smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000368470574 168360850 /nfs/dbraw/zinc/36/08/50/168360850.db2.gz NVLDAUYEJRKTBW-AHJNKEMKSA-N 2 0 342.527 3.428 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCSc4c(F)cccc43)C2)CC1 ZINC000370638400 168522361 /nfs/dbraw/zinc/52/23/61/168522361.db2.gz XKGKSZCNTXNNEF-KDOFPFPSSA-N 2 0 349.519 3.121 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091266646 282947148 /nfs/dbraw/zinc/94/71/48/282947148.db2.gz UTWOOLPAPFSKAJ-FQEVSTJZSA-N 2 0 333.495 3.284 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000372880863 283209625 /nfs/dbraw/zinc/20/96/25/283209625.db2.gz MEOSAPBHYTWUDX-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415013271 309114287 /nfs/dbraw/zinc/11/42/87/309114287.db2.gz YKNUFGLNUNIWDY-RISCZKNCSA-N 2 0 327.266 3.065 20 0 EGADRP Cc1ccc(C)c([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc2)c1 ZINC000272351982 201250538 /nfs/dbraw/zinc/25/05/38/201250538.db2.gz DEPKMDRURQLHSM-NRFANRHFSA-N 2 0 338.495 3.439 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668542 201252729 /nfs/dbraw/zinc/25/27/29/201252729.db2.gz OVGFCDFZZOJCOS-KCLUMXDGSA-N 2 0 327.516 3.113 20 0 EGADRP COc1ccc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191408232 239096897 /nfs/dbraw/zinc/09/68/97/239096897.db2.gz NELZKAOEDNLODX-NRFANRHFSA-N 2 0 345.531 3.248 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000236727728 242337751 /nfs/dbraw/zinc/33/77/51/242337751.db2.gz SCQSNBUVYKBVLA-RBUKOAKNSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000246392388 243244981 /nfs/dbraw/zinc/24/49/81/243244981.db2.gz PLOWSPODZNVAHX-GGPKGHCWSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000268959941 296122079 /nfs/dbraw/zinc/12/20/79/296122079.db2.gz XCGGGLDTUBOVGH-GDBMZVCRSA-N 2 0 333.501 3.184 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000076398167 203352136 /nfs/dbraw/zinc/35/21/36/203352136.db2.gz STHXSCPCCCHUAP-BETUJISGSA-N 2 0 330.394 3.083 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000262711595 245138005 /nfs/dbraw/zinc/13/80/05/245138005.db2.gz QPJIMTIQYFMMMT-UZLBHIALSA-N 2 0 331.504 3.052 20 0 EGADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000121139683 204783137 /nfs/dbraw/zinc/78/31/37/204783137.db2.gz OAUUKDGQKPTXEF-NQIIRXRSSA-N 2 0 347.547 3.400 20 0 EGADRP COc1ccc(NC(=O)CC[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123376979 204915573 /nfs/dbraw/zinc/91/55/73/204915573.db2.gz HTHYVBABCLIUKG-UHFFFAOYSA-N 2 0 347.503 3.078 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000126011588 205036406 /nfs/dbraw/zinc/03/64/06/205036406.db2.gz NPBVDPSGUWROTM-MAUKXSAKSA-N 2 0 329.492 3.284 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000127205847 205088894 /nfs/dbraw/zinc/08/88/94/205088894.db2.gz HTYTZQPVWWRSCI-QUCCMNQESA-N 2 0 343.515 3.014 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000127565516 205106221 /nfs/dbraw/zinc/10/62/21/205106221.db2.gz HXZRPEZEPMKSBQ-OAGGEKHMSA-N 2 0 346.544 3.014 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000127779511 205117370 /nfs/dbraw/zinc/11/73/70/205117370.db2.gz KFELJUKCRIZQBZ-DLBZAZTESA-N 2 0 327.472 3.233 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1=CCCOC1 ZINC000127511261 205104892 /nfs/dbraw/zinc/10/48/92/205104892.db2.gz PBAUPDAXBYHSJV-UHFFFAOYSA-N 2 0 326.440 3.348 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1C(F)(F)F ZINC000128425044 205146576 /nfs/dbraw/zinc/14/65/76/205146576.db2.gz MBHXDRLMZBVGNL-HNNXBMFYSA-N 2 0 343.437 3.384 20 0 EGADRP COc1cc(NC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc(OC)c1 ZINC000129190667 205182889 /nfs/dbraw/zinc/18/28/89/205182889.db2.gz FWNUPGQQGSZEIN-SFHVURJKSA-N 2 0 347.503 3.064 20 0 EGADRP Cn1ncc(Cl)c1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000130330429 205234590 /nfs/dbraw/zinc/23/45/90/205234590.db2.gz URIYQUXZMARTGS-UHFFFAOYSA-N 2 0 332.879 3.349 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132981088 205350976 /nfs/dbraw/zinc/35/09/76/205350976.db2.gz IQKRHJMGNZLUKL-RXVVDRJESA-N 2 0 348.506 3.483 20 0 EGADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133113734 205356729 /nfs/dbraw/zinc/35/67/29/205356729.db2.gz PUWPNMULWXZCFZ-AUUYWEPGSA-N 2 0 334.891 3.418 20 0 EGADRP Cc1noc(C)c1CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155969985 206047105 /nfs/dbraw/zinc/04/71/05/206047105.db2.gz RYPFPEPFROHICP-CQSZACIVSA-N 2 0 331.460 3.125 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000157694093 206150929 /nfs/dbraw/zinc/15/09/29/206150929.db2.gz OUPSYYJAEHIJKC-MRXNPFEDSA-N 2 0 332.517 3.225 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000159246294 206234229 /nfs/dbraw/zinc/23/42/29/206234229.db2.gz VFACAKNDLPXXTQ-NRFANRHFSA-N 2 0 330.516 3.407 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159355484 206240167 /nfs/dbraw/zinc/24/01/67/206240167.db2.gz UIIKFXGRJXWORO-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165709298 206520560 /nfs/dbraw/zinc/52/05/60/206520560.db2.gz WQFQPQBIFBOBIA-YOEHRIQHSA-N 2 0 340.558 3.126 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000236917379 284736053 /nfs/dbraw/zinc/73/60/53/284736053.db2.gz FBLVUBXICUUPDR-YLJYHZDGSA-N 2 0 345.531 3.170 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC2CCOCC2)CC1 ZINC000175665960 207148711 /nfs/dbraw/zinc/14/87/11/207148711.db2.gz JHVVYIPGGLTMBG-INIZCTEOSA-N 2 0 349.494 3.045 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000176984409 207281439 /nfs/dbraw/zinc/28/14/39/207281439.db2.gz JBYSKLBXZWEDBX-UHFFFAOYSA-N 2 0 339.483 3.243 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000268812669 252264074 /nfs/dbraw/zinc/26/40/74/252264074.db2.gz BHQHJUBIHKIZDZ-HUUCEWRRSA-N 2 0 339.911 3.007 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1)C(C)C ZINC000261872392 285097946 /nfs/dbraw/zinc/09/79/46/285097946.db2.gz SNFXUVZULIODGR-LPHOPBHVSA-N 2 0 331.504 3.116 20 0 EGADRP COC[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000364118738 285397032 /nfs/dbraw/zinc/39/70/32/285397032.db2.gz HABBSIFPIPEYSG-FQEVSTJZSA-N 2 0 338.536 3.062 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000237481050 141004323 /nfs/dbraw/zinc/00/43/23/141004323.db2.gz FXCWTOUVMIOUAX-KRWDZBQOSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237552496 141007682 /nfs/dbraw/zinc/00/76/82/141007682.db2.gz WBPAEWKQYYIKQJ-MJGOQNOKSA-N 2 0 343.515 3.289 20 0 EGADRP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000246505048 141013437 /nfs/dbraw/zinc/01/34/37/141013437.db2.gz QDZFQHDXTQIXSJ-NTDBWNAOSA-N 2 0 345.531 3.195 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000246833365 141037774 /nfs/dbraw/zinc/03/77/74/141037774.db2.gz APGULFRXZKTHLX-JTDSTZFVSA-N 2 0 331.504 3.035 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246979293 141046477 /nfs/dbraw/zinc/04/64/77/141046477.db2.gz JYWAEDULMQJBFD-LPHOPBHVSA-N 2 0 326.488 3.186 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1)C1CC1 ZINC000338046361 141080737 /nfs/dbraw/zinc/08/07/37/141080737.db2.gz MHHFOAVPUMAPED-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000342795522 141148508 /nfs/dbraw/zinc/14/85/08/141148508.db2.gz OKKGTOUBAGBIMI-UHFFFAOYSA-N 2 0 339.474 3.346 20 0 EGADRP C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342810002 141149784 /nfs/dbraw/zinc/14/97/84/141149784.db2.gz NGUIWZDMRWQYAN-QGZVFWFLSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342810262 141149948 /nfs/dbraw/zinc/14/99/48/141149948.db2.gz PYWFEZLRLGWVNV-UZLBHIALSA-N 2 0 349.482 3.001 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@H]3CCCO3)CC2)c1 ZINC000346473255 141202083 /nfs/dbraw/zinc/20/20/83/141202083.db2.gz AQZJSDYVBCZGQS-TZIWHRDSSA-N 2 0 345.531 3.054 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+]4CCCCC4)C3)C2)cc1 ZINC000346479007 141203393 /nfs/dbraw/zinc/20/33/93/141203393.db2.gz FMJOXUINLXVNMR-JOCHJYFZSA-N 2 0 341.543 3.460 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000347895244 141211916 /nfs/dbraw/zinc/21/19/16/141211916.db2.gz AUEIBQRTBOQRSV-UHFFFAOYSA-N 2 0 340.471 3.051 20 0 EGADRP CCCn1cc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350561665 141254170 /nfs/dbraw/zinc/25/41/70/141254170.db2.gz YHLHETCMOMUYOB-SFTDATJTSA-N 2 0 340.515 3.465 20 0 EGADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000353472351 141304236 /nfs/dbraw/zinc/30/42/36/141304236.db2.gz TULZDDJSNZHVQW-LSTHTHJFSA-N 2 0 343.515 3.491 20 0 EGADRP COC(=O)C1CC[NH+](CCCNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000354690647 141320752 /nfs/dbraw/zinc/32/07/52/141320752.db2.gz VAMOMSOBYDEEHD-UHFFFAOYSA-N 2 0 345.418 3.061 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356846867 141353046 /nfs/dbraw/zinc/35/30/46/141353046.db2.gz JESSLOQILLJQRN-OAHLLOKOSA-N 2 0 335.458 3.257 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358009170 141378829 /nfs/dbraw/zinc/37/88/29/141378829.db2.gz CKEVHSPDTNYPKM-JXFKEZNVSA-N 2 0 326.488 3.043 20 0 EGADRP Cc1nc(C)c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000172774633 144027910 /nfs/dbraw/zinc/02/79/10/144027910.db2.gz PIJHOSNNRJEHLF-ZIAGYGMSSA-N 2 0 337.533 3.081 20 0 EGADRP Cc1ccoc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000343558018 144197113 /nfs/dbraw/zinc/19/71/13/144197113.db2.gz HGFIYXRFFRMMEJ-UHFFFAOYSA-N 2 0 327.472 3.280 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOC(c3ccccc3)c3ccccc3)C[C@@H]12 ZINC000351475176 144266485 /nfs/dbraw/zinc/26/64/85/144266485.db2.gz HQNOYIDYPAUUCD-NJDAHSKKSA-N 2 0 336.479 3.462 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341492971 155324086 /nfs/dbraw/zinc/32/40/86/155324086.db2.gz FNZFICMUCPLZCD-LJQANCHMSA-N 2 0 344.547 3.148 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868531 152159564 /nfs/dbraw/zinc/15/95/64/152159564.db2.gz VTQLUTWNPFSCNM-AWEZNQCLSA-N 2 0 337.895 3.331 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000120787727 152300405 /nfs/dbraw/zinc/30/04/05/152300405.db2.gz CWBRSRZJSMXVBD-MRXNPFEDSA-N 2 0 330.476 3.436 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341598405 155377020 /nfs/dbraw/zinc/37/70/20/155377020.db2.gz FYTDAWVHPMNANA-ROUUACIJSA-N 2 0 349.544 3.002 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341598401 155377200 /nfs/dbraw/zinc/37/72/00/155377200.db2.gz FYTDAWVHPMNANA-QZTJIDSGSA-N 2 0 349.544 3.002 20 0 EGADRP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192925074 153267734 /nfs/dbraw/zinc/26/77/34/153267734.db2.gz GJNVHXVJVDYCIV-LJQANCHMSA-N 2 0 338.451 3.085 20 0 EGADRP C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088347 154138789 /nfs/dbraw/zinc/13/87/89/154138789.db2.gz PHIUMTMIAPRFNO-PCCBWWKXSA-N 2 0 327.516 3.115 20 0 EGADRP CCc1cc(OC)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000337381231 154323280 /nfs/dbraw/zinc/32/32/80/154323280.db2.gz JCKOTJXQXGVHRA-UHFFFAOYSA-N 2 0 346.515 3.334 20 0 EGADRP Cc1cc(Cl)cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000339328786 154805230 /nfs/dbraw/zinc/80/52/30/154805230.db2.gz KSBDXTKFMHLZAO-UHFFFAOYSA-N 2 0 333.863 3.274 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346814407 156148741 /nfs/dbraw/zinc/14/87/41/156148741.db2.gz BEYKWJXDBUCYMT-SESVDKBCSA-N 2 0 338.499 3.107 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C[C@H]21 ZINC000346818049 156151418 /nfs/dbraw/zinc/15/14/18/156151418.db2.gz AILZHJNAUOFUKA-UMVBOHGHSA-N 2 0 346.368 3.326 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354507314 156554748 /nfs/dbraw/zinc/55/47/48/156554748.db2.gz VRLRSQPFBDBDTK-INIZCTEOSA-N 2 0 331.504 3.411 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000360070664 156904192 /nfs/dbraw/zinc/90/41/92/156904192.db2.gz GPNMFXPDJDSVPT-LJQANCHMSA-N 2 0 341.499 3.447 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000360081942 156907074 /nfs/dbraw/zinc/90/70/74/156907074.db2.gz ILKQACYNWGKISX-UHFFFAOYSA-N 2 0 343.515 3.384 20 0 EGADRP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccnc2)n1 ZINC000362086769 157016116 /nfs/dbraw/zinc/01/61/16/157016116.db2.gz NDEDBJPWWYWTRI-GOSISDBHSA-N 2 0 348.454 3.252 20 0 EGADRP Cc1ncccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093844426 162030990 /nfs/dbraw/zinc/03/09/90/162030990.db2.gz AMNWZZHHFYCISU-IRXDYDNUSA-N 2 0 331.504 3.101 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475912 162273452 /nfs/dbraw/zinc/27/34/52/162273452.db2.gz QDRQKNVYKAIGNZ-JTDSTZFVSA-N 3 0 335.561 3.278 20 0 EGADRP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248438262 163005714 /nfs/dbraw/zinc/00/57/14/163005714.db2.gz HSBLBLUTRUDSLM-OXQOHEQNSA-N 2 0 340.467 3.113 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccnn2C)c1 ZINC000338440656 163227979 /nfs/dbraw/zinc/22/79/79/163227979.db2.gz PRJROUUHESHUOY-ROUUACIJSA-N 2 0 326.488 3.358 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1nccs1 ZINC000093396899 287025425 /nfs/dbraw/zinc/02/54/25/287025425.db2.gz XQSYXURDTAMWEN-SJLPKXTDSA-N 2 0 344.528 3.173 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(Cl)c1 ZINC000248183255 287022978 /nfs/dbraw/zinc/02/29/78/287022978.db2.gz WWKNNGSIRKIMGC-HIFRSBDPSA-N 2 0 328.859 3.367 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1(C)C ZINC000343950311 164072045 /nfs/dbraw/zinc/07/20/45/164072045.db2.gz ZHUFPJMFDCZPTD-RTBURBONSA-N 2 0 349.519 3.094 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccccc1SC ZINC000344142684 164113552 /nfs/dbraw/zinc/11/35/52/164113552.db2.gz LOXYRALYWQYUKI-UHFFFAOYSA-N 2 0 335.561 3.258 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NC(C)(C)C ZINC000249761864 287041148 /nfs/dbraw/zinc/04/11/48/287041148.db2.gz NHZGFLJWRVSLNJ-DLBZAZTESA-N 2 0 345.531 3.311 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000356842515 287050633 /nfs/dbraw/zinc/05/06/33/287050633.db2.gz GSDNYURBAIJHQV-IKGGRYGDSA-N 2 0 349.494 3.043 20 0 EGADRP FC(F)COCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000346492859 164386269 /nfs/dbraw/zinc/38/62/69/164386269.db2.gz MANXQHZSNLYSMC-LJQANCHMSA-N 2 0 338.442 3.256 20 0 EGADRP Cc1ccc([C@@H](CN2CCOCC2)Nc2cc[nH+]c(C)c2Cl)cc1 ZINC000350292589 165026554 /nfs/dbraw/zinc/02/65/54/165026554.db2.gz YEQFPLUYOBNFLB-GOSISDBHSA-N 2 0 345.874 3.259 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(Br)ccc1F ZINC000350322412 165032040 /nfs/dbraw/zinc/03/20/40/165032040.db2.gz URGGBILSWXACRG-UHFFFAOYSA-N 2 0 347.272 3.036 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000350350886 165034760 /nfs/dbraw/zinc/03/47/60/165034760.db2.gz HMTAMJHNQMLLQW-UHFFFAOYSA-N 2 0 334.504 3.366 20 0 EGADRP FC(F)Cn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000351686029 165133607 /nfs/dbraw/zinc/13/36/07/165133607.db2.gz QAEYKJSRFPZBNO-UHFFFAOYSA-N 2 0 340.462 3.236 20 0 EGADRP Cn1nccc1-c1ccccc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000352024845 165197579 /nfs/dbraw/zinc/19/75/79/165197579.db2.gz JNYSYVRVAQUSBO-UHFFFAOYSA-N 2 0 334.467 3.439 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000352128093 165248446 /nfs/dbraw/zinc/24/84/46/165248446.db2.gz AVGYYCZZEPDEHU-IAGOWNOFSA-N 2 0 335.492 3.090 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000352178599 165269855 /nfs/dbraw/zinc/26/98/55/165269855.db2.gz OXXNXIXPQPXCCC-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000355124614 166113048 /nfs/dbraw/zinc/11/30/48/166113048.db2.gz QXDUUICTVNIIFY-AZUAARDMSA-N 2 0 330.520 3.152 20 0 EGADRP Cc1[nH+]ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1Cl ZINC000355677765 166281414 /nfs/dbraw/zinc/28/14/14/166281414.db2.gz UVKNBTDRAAZWIP-KRWDZBQOSA-N 2 0 345.874 3.034 20 0 EGADRP CCOc1c(C[NH2+]CC2(C)CC[NH+](C)CC2)c(C)nn1CC(C)C ZINC000355766910 166301309 /nfs/dbraw/zinc/30/13/09/166301309.db2.gz LELCHKGGNNZSQW-UHFFFAOYSA-N 2 0 336.524 3.068 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000355807185 166315427 /nfs/dbraw/zinc/31/54/27/166315427.db2.gz GOBWHVUVLINRKJ-FUHIMQAGSA-N 2 0 343.515 3.226 20 0 EGADRP CC1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000359144583 167079841 /nfs/dbraw/zinc/07/98/41/167079841.db2.gz TVIICIDTBUIIHD-PZJWPPBQSA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000359311013 167122871 /nfs/dbraw/zinc/12/28/71/167122871.db2.gz KJZJFMBRGSLQJM-AZUAARDMSA-N 2 0 343.515 3.203 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359322278 167125199 /nfs/dbraw/zinc/12/51/99/167125199.db2.gz MORFQIJZKCZQLM-MAUKXSAKSA-N 2 0 349.475 3.177 20 0 EGADRP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1)C1CC1 ZINC000359472253 167166495 /nfs/dbraw/zinc/16/64/95/167166495.db2.gz KPZSUDKQOVLGJE-SFHVURJKSA-N 2 0 343.515 3.085 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000359872841 167253986 /nfs/dbraw/zinc/25/39/86/167253986.db2.gz HJOQYPQAOFBKQC-LJQANCHMSA-N 2 0 332.488 3.001 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1 ZINC000359883405 167257607 /nfs/dbraw/zinc/25/76/07/167257607.db2.gz LRGGYSDPCBNDNY-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000360710707 167394646 /nfs/dbraw/zinc/39/46/46/167394646.db2.gz GTBFJTMBPDRBNF-LJQANCHMSA-N 2 0 327.516 3.270 20 0 EGADRP Cn1nccc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000365927816 168061096 /nfs/dbraw/zinc/06/10/96/168061096.db2.gz MGJIPNKIQIIIHK-SESVDKBCSA-N 2 0 338.499 3.201 20 0 EGADRP Cc1cnccc1OC1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000365997989 168070058 /nfs/dbraw/zinc/07/00/58/168070058.db2.gz DMPDTWDQRNUPNR-ZDUSSCGKSA-N 2 0 328.416 3.255 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@]1(F)CC[NH2+]C1)C1CCCCC1 ZINC000366322538 168105944 /nfs/dbraw/zinc/10/59/44/168105944.db2.gz JCNHTDNYKJBICP-LJQANCHMSA-N 2 0 333.451 3.091 20 0 EGADRP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000367341793 168211449 /nfs/dbraw/zinc/21/14/49/168211449.db2.gz HDVUECODRVPQCO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850021 168277861 /nfs/dbraw/zinc/27/78/61/168277861.db2.gz OKJJNOAFUICCGK-INIZCTEOSA-N 2 0 339.361 3.374 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367904962 168282541 /nfs/dbraw/zinc/28/25/41/168282541.db2.gz SPNVIDQDAJCSKR-GFOJFJKKSA-N 2 0 330.516 3.285 20 0 EGADRP Clc1ccccc1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173956494 265013860 /nfs/dbraw/zinc/01/38/60/265013860.db2.gz KODXJTBSHAXPAG-UHFFFAOYSA-N 2 0 336.907 3.459 20 0 EGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000177490825 265258144 /nfs/dbraw/zinc/25/81/44/265258144.db2.gz LWMURBWDFFTNOM-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000177490787 265258262 /nfs/dbraw/zinc/25/82/62/265258262.db2.gz YPEFUZURIAPERS-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000180167455 265398163 /nfs/dbraw/zinc/39/81/63/265398163.db2.gz NSVRZVDZWSWRTK-CEXWTWQISA-N 2 0 344.499 3.218 20 0 EGADRP CCOc1ccccc1N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000193455633 266034166 /nfs/dbraw/zinc/03/41/66/266034166.db2.gz WWHHAKPRRCRZGQ-UHFFFAOYSA-N 2 0 331.504 3.083 20 0 EGADRP CCC(CC)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000224404438 266197313 /nfs/dbraw/zinc/19/73/13/266197313.db2.gz WGMXMHJLUBXRRL-GJZGRUSLSA-N 2 0 327.513 3.142 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000236918648 266220930 /nfs/dbraw/zinc/22/09/30/266220930.db2.gz CCVGZINYENVHIV-VQTJNVASSA-N 2 0 345.531 3.442 20 0 EGADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269636976 266331196 /nfs/dbraw/zinc/33/11/96/266331196.db2.gz IZBGGMXXTJYEHY-APWZRJJASA-N 2 0 338.499 3.065 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2nsnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273302684 267016557 /nfs/dbraw/zinc/01/65/57/267016557.db2.gz RPIAWQLRAPMZDJ-DZGCQCFKSA-N 2 0 330.501 3.434 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000274650157 267267904 /nfs/dbraw/zinc/26/79/04/267267904.db2.gz SRECGHXLIBXSEY-UWJYYQICSA-N 2 0 345.506 3.377 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000278411415 268007450 /nfs/dbraw/zinc/00/74/50/268007450.db2.gz HREJWPIOKOGZPG-RYGJVYDSSA-N 2 0 334.479 3.492 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCCC34CC[NH+](C)CC4)c1)O[C@@H](C)C2 ZINC000368966761 274100076 /nfs/dbraw/zinc/10/00/76/274100076.db2.gz RCCZDMBRPBGOCU-HNNXBMFYSA-N 2 0 330.472 3.079 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000044276792 275130835 /nfs/dbraw/zinc/13/08/35/275130835.db2.gz DOBMYGIOOFQLJS-UHFFFAOYSA-N 2 0 340.471 3.132 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000278804945 275276409 /nfs/dbraw/zinc/27/64/09/275276409.db2.gz ZIWSWMUVRVWKIZ-LSDHHAIUSA-N 2 0 342.430 3.440 20 0 EGADRP CC(C)C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000279899111 275372664 /nfs/dbraw/zinc/37/26/64/275372664.db2.gz JGKQAXYWQSBVLR-ZULIPRJHSA-N 2 0 345.531 3.256 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280040299 275395497 /nfs/dbraw/zinc/39/54/97/275395497.db2.gz ITQJIWOFQZXMSH-QRFRQXIXSA-N 2 0 338.499 3.298 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280073613 275401574 /nfs/dbraw/zinc/40/15/74/275401574.db2.gz XVXQKIQXBHUJRW-CVEARBPZSA-N 2 0 337.939 3.448 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccnn2C(C)C)cc1 ZINC000280099759 275405507 /nfs/dbraw/zinc/40/55/07/275405507.db2.gz ZWSHLJNBLAIWFJ-UHFFFAOYSA-N 2 0 344.503 3.474 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281529776 275556347 /nfs/dbraw/zinc/55/63/47/275556347.db2.gz IDNGGORMMCGFII-IPMKNSEASA-N 2 0 333.520 3.363 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000282069656 275600599 /nfs/dbraw/zinc/60/05/99/275600599.db2.gz WPIMANJBXSKDNS-QGZVFWFLSA-N 2 0 349.478 3.365 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000349087337 276010366 /nfs/dbraw/zinc/01/03/66/276010366.db2.gz GRXBKOISZPPMFZ-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000369951940 276060482 /nfs/dbraw/zinc/06/04/82/276060482.db2.gz QIPYYABODWZEMV-XLIONFOSSA-N 2 0 343.515 3.012 20 0 EGADRP COc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1C ZINC000288600063 276232631 /nfs/dbraw/zinc/23/26/31/276232631.db2.gz PLDGWUOSFGHYNH-UHFFFAOYSA-N 2 0 343.471 3.019 20 0 EGADRP CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000355508165 276257747 /nfs/dbraw/zinc/25/77/47/276257747.db2.gz UNLBNYPBEWACPU-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000373507907 276301311 /nfs/dbraw/zinc/30/13/11/276301311.db2.gz CUXRDNGOCCSQFU-KVPLUYHFSA-N 2 0 343.515 3.059 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000121055083 276335258 /nfs/dbraw/zinc/33/52/58/276335258.db2.gz JKEFHODDQLLUOZ-LJQANCHMSA-N 2 0 326.488 3.429 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)CC(C)C ZINC000362762401 276336485 /nfs/dbraw/zinc/33/64/85/276336485.db2.gz IQTITDZPRJTKHO-GOSISDBHSA-N 2 0 333.520 3.235 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1nccc2ccccc21)N1CC[NH+](C)CC1 ZINC000289554202 276357186 /nfs/dbraw/zinc/35/71/86/276357186.db2.gz CJDDVALNOIDEMX-PXNSSMCTSA-N 2 0 340.515 3.157 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000292164702 276743584 /nfs/dbraw/zinc/74/35/84/276743584.db2.gz VKPOMBARLVFYPV-ZWKOTPCHSA-N 2 0 349.906 3.125 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000356272692 278188066 /nfs/dbraw/zinc/18/80/66/278188066.db2.gz WLAMBEDNBKGEEI-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120024446 278221926 /nfs/dbraw/zinc/22/19/26/278221926.db2.gz DISGONKEEPAQSD-ZDUSSCGKSA-N 2 0 335.467 3.442 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1nccc2ccccc21 ZINC000377742130 278384721 /nfs/dbraw/zinc/38/47/21/278384721.db2.gz GTYQBCOUAQPRAB-AEFFLSMTSA-N 2 0 338.499 3.054 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000192785252 288040285 /nfs/dbraw/zinc/04/02/85/288040285.db2.gz CSDGSANYNLWFAJ-FQEVSTJZSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000352460700 279090449 /nfs/dbraw/zinc/09/04/49/279090449.db2.gz GDSGGCGCWUSXBT-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000345672901 279137185 /nfs/dbraw/zinc/13/71/85/279137185.db2.gz WGPIZSAVIRVKBX-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000262140038 279137427 /nfs/dbraw/zinc/13/74/27/279137427.db2.gz DUTJUYMGOYQCPR-UHFFFAOYSA-N 2 0 337.467 3.062 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000078725458 279847840 /nfs/dbraw/zinc/84/78/40/279847840.db2.gz XKDNPXYHPZGOAJ-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000374567431 290032265 /nfs/dbraw/zinc/03/22/65/290032265.db2.gz CLPINIGKYUTTKJ-KCUHQSDYSA-N 2 0 346.515 3.481 20 0 EGADRP [NH3+][C@@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000237888249 295293285 /nfs/dbraw/zinc/29/32/85/295293285.db2.gz WRRMSBIDOCSJSH-DLBZAZTESA-N 2 0 343.496 3.091 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000263263075 300820132 /nfs/dbraw/zinc/82/01/32/300820132.db2.gz RFJIERBXDDWBAD-BJLQDIEVSA-N 2 0 335.536 3.009 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000359474236 302205032 /nfs/dbraw/zinc/20/50/32/302205032.db2.gz RQERUNPQNFQPIQ-LNLFQRSKSA-N 2 0 348.535 3.014 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155065641 302561769 /nfs/dbraw/zinc/56/17/69/302561769.db2.gz DCQWDFKWUNQQIX-UONOGXRCSA-N 2 0 338.565 3.036 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CC[NH+](C)CC1 ZINC000414114510 309061766 /nfs/dbraw/zinc/06/17/66/309061766.db2.gz LWQPLHIOTQCJFM-HHXXYDBFSA-N 2 0 335.923 3.202 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130634 309062727 /nfs/dbraw/zinc/06/27/27/309062727.db2.gz WVCHYQGXMLMIEF-JKSUJKDBSA-N 2 0 344.528 3.097 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000134150118 307682244 /nfs/dbraw/zinc/68/22/44/307682244.db2.gz ZBMVUISCVUJDJH-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000151874341 307740879 /nfs/dbraw/zinc/74/08/79/307740879.db2.gz CIQCWDUDFVINMC-GFCCVEGCSA-N 2 0 331.287 3.348 20 0 EGADRP CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000414251506 309068923 /nfs/dbraw/zinc/06/89/23/309068923.db2.gz YICIKHBYHKIOSF-QINHECLXSA-N 2 0 334.504 3.481 20 0 EGADRP OC1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414304518 309071763 /nfs/dbraw/zinc/07/17/63/309071763.db2.gz MOAKPRXJCSYHIM-VQTJNVASSA-N 2 0 328.500 3.182 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCC2 ZINC000248180813 308000032 /nfs/dbraw/zinc/00/00/32/308000032.db2.gz WJSOYQBHGFKPMN-UWJYYQICSA-N 2 0 330.516 3.453 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248674594 308008960 /nfs/dbraw/zinc/00/89/60/308008960.db2.gz WZPJIBSVSJEUPQ-FRQCXROJSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248859215 308013456 /nfs/dbraw/zinc/01/34/56/308013456.db2.gz FQTJVTYERRLDQV-NMLBUPMWSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000249177561 308020534 /nfs/dbraw/zinc/02/05/34/308020534.db2.gz GCEKKLMIBNLNPS-HKBOAZHASA-N 2 0 330.516 3.323 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000249190388 308020910 /nfs/dbraw/zinc/02/09/10/308020910.db2.gz NNYXJJROKHKFCU-FSSWDIPSSA-N 2 0 343.559 3.358 20 0 EGADRP CCc1ccc2c(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1 ZINC000292926743 308080808 /nfs/dbraw/zinc/08/08/08/308080808.db2.gz IQCZASQETQSQBL-NRFANRHFSA-N 2 0 340.467 3.273 20 0 EGADRP COCCOCc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000293037170 308092725 /nfs/dbraw/zinc/09/27/25/308092725.db2.gz QGDUYMZLBIYWJE-UHFFFAOYSA-N 2 0 334.504 3.205 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2cnn(C)c2)c1 ZINC000293719283 308155777 /nfs/dbraw/zinc/15/57/77/308155777.db2.gz TWFLPDRDJKRWQK-NRFANRHFSA-N 2 0 338.499 3.313 20 0 EGADRP C[NH+](C)Cc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000414501309 309084944 /nfs/dbraw/zinc/08/49/44/309084944.db2.gz RZZCYRNTLRNRSI-UHFFFAOYSA-N 2 0 342.462 3.359 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000414524020 309086358 /nfs/dbraw/zinc/08/63/58/309086358.db2.gz ZAYFOPZTAIYCKP-ZHALLVOQSA-N 2 0 345.531 3.120 20 0 EGADRP CC1(C)OCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000294618720 308238510 /nfs/dbraw/zinc/23/85/10/308238510.db2.gz FEXUYDDSYUILHX-HXUWFJFHSA-N 2 0 346.515 3.215 20 0 EGADRP CC1(C)OCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000294618718 308238530 /nfs/dbraw/zinc/23/85/30/308238530.db2.gz FEXUYDDSYUILHX-FQEVSTJZSA-N 2 0 346.515 3.215 20 0 EGADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000294992990 308279703 /nfs/dbraw/zinc/27/97/03/308279703.db2.gz QOZGVPRDASIPGH-CEWLAPEOSA-N 2 0 328.500 3.193 20 0 EGADRP C[N@H+](CCN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000295009651 308281368 /nfs/dbraw/zinc/28/13/68/308281368.db2.gz SJCBHLUPXWVEMY-TZIWHRDSSA-N 2 0 327.516 3.067 20 0 EGADRP CSc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000295076339 308288510 /nfs/dbraw/zinc/28/85/10/308288510.db2.gz SPVDMFMPFSXXCP-OHQAAIJDSA-N 2 0 335.561 3.330 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CSC[C@H]3C)CC2)cc1 ZINC000295189097 308300899 /nfs/dbraw/zinc/30/08/99/308300899.db2.gz NUJBAHRMZDSPCT-DNVCBOLYSA-N 2 0 334.529 3.248 20 0 EGADRP COc1nccc(CNCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000295259609 308308157 /nfs/dbraw/zinc/30/81/57/308308157.db2.gz UXLHCYQTQZLPKE-UHFFFAOYSA-N 2 0 340.471 3.151 20 0 EGADRP Cc1cccc([C@H]2CCCCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414699181 309096131 /nfs/dbraw/zinc/09/61/31/309096131.db2.gz JMRWRXUMMSZNJU-UYAOXDASSA-N 2 0 343.515 3.109 20 0 EGADRP CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414708921 309096618 /nfs/dbraw/zinc/09/66/18/309096618.db2.gz OFQRODZRPUTACC-MRXNPFEDSA-N 2 0 345.531 3.006 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]1 ZINC000414709371 309096628 /nfs/dbraw/zinc/09/66/28/309096628.db2.gz JWBYFZONYRSEIC-CKEIUWERSA-N 2 0 342.405 3.467 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744349 309098437 /nfs/dbraw/zinc/09/84/37/309098437.db2.gz PLXMVWAJRXBMCQ-HJNYFJLDSA-N 3 0 341.543 3.363 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000414756000 309099028 /nfs/dbraw/zinc/09/90/28/309099028.db2.gz IPNQISMUOMZLSU-NWDGAFQWSA-N 2 0 329.257 3.408 20 0 EGADRP COc1ccc(C[N@H+](CC2CC2)C[C@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000414758620 309099122 /nfs/dbraw/zinc/09/91/22/309099122.db2.gz VCTXFKUWHONGKP-RDJZCZTQSA-N 2 0 332.488 3.304 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000297585163 308547972 /nfs/dbraw/zinc/54/79/72/308547972.db2.gz SZAHIZOVJDTWFH-UHFFFAOYSA-N 2 0 325.456 3.098 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2nccn21 ZINC000297598392 308549062 /nfs/dbraw/zinc/54/90/62/308549062.db2.gz HWYAJWBGLCNCIN-YOEHRIQHSA-N 2 0 330.501 3.452 20 0 EGADRP C[C@H]1CN(c2ccccc2C[NH+]2CCC(CC[NH+](C)C)CC2)CCO1 ZINC000297629517 308551639 /nfs/dbraw/zinc/55/16/39/308551639.db2.gz HPRXYARMLYNQRA-SFHVURJKSA-N 2 0 345.531 3.075 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000414776121 309100289 /nfs/dbraw/zinc/10/02/89/309100289.db2.gz DBLNJNGXGJGRMM-WBVHZDCISA-N 2 0 334.847 3.414 20 0 EGADRP Fc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776695 309100334 /nfs/dbraw/zinc/10/03/34/309100334.db2.gz HLFXLZKIESYOEK-OLZOCXBDSA-N 2 0 341.268 3.410 20 0 EGADRP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782890 309100857 /nfs/dbraw/zinc/10/08/57/309100857.db2.gz PFOKCTFTJLRWBC-SJORKVTESA-N 2 0 326.488 3.268 20 0 EGADRP Cc1ccc(-c2ccc(C[NH2+]CCCN3CC[NH2+]CC3)s2)cc1 ZINC000414785726 309101089 /nfs/dbraw/zinc/10/10/89/309101089.db2.gz WALPOZWGRFBGNZ-UHFFFAOYSA-N 2 0 329.513 3.108 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787681 309101128 /nfs/dbraw/zinc/10/11/28/309101128.db2.gz VTSMUDLMENTIAT-IRXDYDNUSA-N 2 0 342.462 3.141 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414813925 309103205 /nfs/dbraw/zinc/10/32/05/309103205.db2.gz YVIYRTVRWIAPHB-DZGCQCFKSA-N 2 0 326.868 3.354 20 0 EGADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCCC(C)C ZINC000414816941 309103515 /nfs/dbraw/zinc/10/35/15/309103515.db2.gz QZUUCBBVZGMWDD-JWTNVVGKSA-N 2 0 332.488 3.493 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCC[NH+](C)C ZINC000299302535 308669134 /nfs/dbraw/zinc/66/91/34/308669134.db2.gz AXQZMKAEFGDSFF-UHFFFAOYSA-N 2 0 336.430 3.199 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310419630 308763708 /nfs/dbraw/zinc/76/37/08/308763708.db2.gz QILWDXRARNZTJV-MRXNPFEDSA-N 2 0 341.540 3.391 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333173336 308851921 /nfs/dbraw/zinc/85/19/21/308851921.db2.gz QGHZEJSWFQIKSH-HOCLYGCPSA-N 2 0 337.533 3.159 20 0 EGADRP c1cc(COc2ccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cc2)ccn1 ZINC000414852862 309105718 /nfs/dbraw/zinc/10/57/18/309105718.db2.gz QRXVYRPTXVAWQT-KRWDZBQOSA-N 2 0 325.456 3.140 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc(Cl)c1OC ZINC000414912061 309108916 /nfs/dbraw/zinc/10/89/16/309108916.db2.gz UTDCUBBSAVTVAG-KRWDZBQOSA-N 2 0 326.868 3.227 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[NH2+]1 ZINC000414942494 309110400 /nfs/dbraw/zinc/11/04/00/309110400.db2.gz DOSJCJPOTZVPPM-GXTWGEPZSA-N 2 0 338.377 3.121 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC[NH2+]1 ZINC000414946792 309110703 /nfs/dbraw/zinc/11/07/03/309110703.db2.gz KCXLOSRNHZXXSI-UKRRQHHQSA-N 2 0 339.886 3.174 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946697 309110783 /nfs/dbraw/zinc/11/07/83/309110783.db2.gz JUQUQHBYBVJDBS-WZRBSPASSA-N 2 0 329.257 3.249 20 0 EGADRP COCC1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC[NH2+]CC1 ZINC000414950117 309110975 /nfs/dbraw/zinc/11/09/75/309110975.db2.gz DPJAJKBFCSCZMJ-UHFFFAOYSA-N 2 0 332.488 3.114 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH2+]1 ZINC000414959007 309111545 /nfs/dbraw/zinc/11/15/45/309111545.db2.gz WWAUAHZEVUVITR-QFBILLFUSA-N 2 0 347.466 3.164 20 0 EGADRP c1cc(COc2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2)ccn1 ZINC000414967847 309112016 /nfs/dbraw/zinc/11/20/16/309112016.db2.gz HTZBFYNOTOMDTH-LJQANCHMSA-N 2 0 325.456 3.282 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414988349 309112900 /nfs/dbraw/zinc/11/29/00/309112900.db2.gz FSEOGEINGHZIQN-RISCZKNCSA-N 2 0 327.266 3.065 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414991305 309113043 /nfs/dbraw/zinc/11/30/43/309113043.db2.gz AYWUPVMQLUVTRV-INWMFGNUSA-N 2 0 325.294 3.487 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2cccc3c2OCO3)cc1 ZINC000414994391 309113133 /nfs/dbraw/zinc/11/31/33/309113133.db2.gz DKROQZDGQWZNGT-AEFFLSMTSA-N 2 0 342.414 3.037 20 0 EGADRP CN(C)c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415005704 309113829 /nfs/dbraw/zinc/11/38/29/309113829.db2.gz PQGISCQJRWGHGW-AZUAARDMSA-N 2 0 341.474 3.375 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1Cl ZINC000415010145 309114093 /nfs/dbraw/zinc/11/40/93/309114093.db2.gz FYQLXCGRXPQSRL-KBPBESRZSA-N 2 0 325.884 3.473 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000415012798 309114245 /nfs/dbraw/zinc/11/42/45/309114245.db2.gz XLWQQUHPEDPNGF-HUUCEWRRSA-N 2 0 349.906 3.052 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000415025414 309115025 /nfs/dbraw/zinc/11/50/25/309115025.db2.gz PWMPXKNLMDRACH-HAQNSBGRSA-N 2 0 329.257 3.443 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415033122 309115566 /nfs/dbraw/zinc/11/55/66/309115566.db2.gz IOYHJIJMUMCJHH-DOTOQJQBSA-N 2 0 326.488 3.387 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415036041 309115704 /nfs/dbraw/zinc/11/57/04/309115704.db2.gz LCWMTIJBJLIOPP-MJGOQNOKSA-N 2 0 340.515 3.446 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415036042 309115786 /nfs/dbraw/zinc/11/57/86/309115786.db2.gz LCWMTIJBJLIOPP-PKOBYXMFSA-N 2 0 340.515 3.446 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccccc1 ZINC000415060466 309117559 /nfs/dbraw/zinc/11/75/59/309117559.db2.gz WVPULDCVEOKUIE-MRXNPFEDSA-N 2 0 334.261 3.414 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1OCC[NH+](C)C ZINC000415075121 309118450 /nfs/dbraw/zinc/11/84/50/309118450.db2.gz BBWGAPOYQRKWQR-HKUYNNGSSA-N 2 0 333.520 3.027 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415077804 309118628 /nfs/dbraw/zinc/11/86/28/309118628.db2.gz FMJNXADWMLGEKA-WBVHZDCISA-N 2 0 330.451 3.412 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000415083384 309118948 /nfs/dbraw/zinc/11/89/48/309118948.db2.gz NGFHIRSSNQEMGR-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP Fc1cccc(COc2ccc(C[NH2+]CC3CC[NH2+]CC3)cc2)c1 ZINC000415084528 309119119 /nfs/dbraw/zinc/11/91/19/309119119.db2.gz RLBIKMUFWBTXAK-UHFFFAOYSA-N 2 0 328.431 3.494 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000415116858 309121490 /nfs/dbraw/zinc/12/14/90/309121490.db2.gz VHZNANKMNJJUTF-LALPHHSUSA-N 2 0 339.277 3.250 20 0 EGADRP NC1(C[NH2+][C@H]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126336 309122182 /nfs/dbraw/zinc/12/21/82/309122182.db2.gz GLKLTKBJZTVQLX-QFIPXVFZSA-N 2 0 349.522 3.127 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000415127474 309122468 /nfs/dbraw/zinc/12/24/68/309122468.db2.gz IEISRSVDDIKTOF-WSTZPKSXSA-N 2 0 329.532 3.394 20 0 EGADRP [NH3+]CCCN(c1cccc(F)c1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415129493 309122584 /nfs/dbraw/zinc/12/25/84/309122584.db2.gz ZCIUPVCWTWTUAU-UXHICEINSA-N 2 0 327.447 3.474 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000415131468 309122657 /nfs/dbraw/zinc/12/26/57/309122657.db2.gz SHXHATFTNKFWJG-IAGOWNOFSA-N 2 0 326.843 3.197 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415130821 309122777 /nfs/dbraw/zinc/12/27/77/309122777.db2.gz XYBHGPSHHMXFGW-TZIWHRDSSA-N 2 0 346.515 3.440 20 0 EGADRP Cc1cc(F)ccc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415133579 309122846 /nfs/dbraw/zinc/12/28/46/309122846.db2.gz NGXKCEVFQDJZNE-UHFFFAOYSA-N 2 0 341.474 3.217 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000415135348 309122978 /nfs/dbraw/zinc/12/29/78/309122978.db2.gz WOKGBDYUYZTOIH-IAGOWNOFSA-N 2 0 340.414 3.006 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000415995342 309153631 /nfs/dbraw/zinc/15/36/31/309153631.db2.gz KHJRNIYYZNHOQJ-QGZVFWFLSA-N 2 0 342.443 3.087 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000416898376 309185714 /nfs/dbraw/zinc/18/57/14/309185714.db2.gz ZSJXVEUYLFOXOV-LJQANCHMSA-N 2 0 348.535 3.043 20 0 EGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417353455 309202667 /nfs/dbraw/zinc/20/26/67/309202667.db2.gz XIQYYXVNKUFDHE-HYVNUMGLSA-N 2 0 345.512 3.365 20 0 EGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417837062 309224460 /nfs/dbraw/zinc/22/44/60/309224460.db2.gz PJYQXEZUMMJOII-OALUTQOASA-N 2 0 339.483 3.091 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417870945 309226101 /nfs/dbraw/zinc/22/61/01/309226101.db2.gz MFPLUCCSUFITTO-HDICACEKSA-N 2 0 345.531 3.236 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3COC(C)(C)C3)CC2)cc1 ZINC000417900921 309227528 /nfs/dbraw/zinc/22/75/28/309227528.db2.gz VKRDTSKAQRVHTC-SFHVURJKSA-N 2 0 332.488 3.064 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417908490 309227979 /nfs/dbraw/zinc/22/79/79/309227979.db2.gz BRCVUSJLRZNHBP-LPHOPBHVSA-N 2 0 346.519 3.016 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420286179 309279378 /nfs/dbraw/zinc/27/93/78/309279378.db2.gz FTSISYFFVWAAQG-KBPBESRZSA-N 2 0 330.428 3.169 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000420304012 309280370 /nfs/dbraw/zinc/28/03/70/309280370.db2.gz IHCWVSCZORDZNP-UHFFFAOYSA-N 2 0 341.293 3.149 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000420308274 309280924 /nfs/dbraw/zinc/28/09/24/309280924.db2.gz NISGOUUZQSJPQH-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CCC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)C1CC[NH2+]CC1 ZINC000420316877 309281397 /nfs/dbraw/zinc/28/13/97/309281397.db2.gz MMGVDPWXCAAVOT-UHFFFAOYSA-N 2 0 330.428 3.183 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000420319419 309281802 /nfs/dbraw/zinc/28/18/02/309281802.db2.gz PHGDXNWVWYVXCM-HZPDHXFCSA-N 2 0 331.485 3.074 20 0 EGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332711 309282774 /nfs/dbraw/zinc/28/27/74/309282774.db2.gz SEHZPHKJLNSVCF-MGPQQGTHSA-N 2 0 332.473 3.181 20 0 EGADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333140 309282785 /nfs/dbraw/zinc/28/27/85/309282785.db2.gz SLRAPOJYYUOGAM-UKRRQHHQSA-N 2 0 340.414 3.036 20 0 EGADRP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420337858 309283061 /nfs/dbraw/zinc/28/30/61/309283061.db2.gz XHOKUPHYQLDNNH-ZIAGYGMSSA-N 2 0 326.843 3.179 20 0 EGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339457 309283164 /nfs/dbraw/zinc/28/31/64/309283164.db2.gz YZNSPUWZGGBLEZ-CZUORRHYSA-N 2 0 342.405 3.454 20 0 EGADRP Fc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420338398 309283187 /nfs/dbraw/zinc/28/31/87/309283187.db2.gz XXRIUGMJGIHDMY-HZPDHXFCSA-N 2 0 329.419 3.302 20 0 EGADRP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420346404 309283609 /nfs/dbraw/zinc/28/36/09/309283609.db2.gz WVWPPXSMBGSHQR-OAGGEKHMSA-N 2 0 326.444 3.037 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000420367629 309284480 /nfs/dbraw/zinc/28/44/80/309284480.db2.gz HGHKCPQKTMVBIN-MAUKXSAKSA-N 2 0 326.440 3.021 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c2ccccc2n1 ZINC000420380387 309285316 /nfs/dbraw/zinc/28/53/16/309285316.db2.gz OAIIVUPYLIYFNW-PZJWPPBQSA-N 2 0 339.483 3.262 20 0 EGADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420384285 309285475 /nfs/dbraw/zinc/28/54/75/309285475.db2.gz RLYRMJPUHFEGLM-IRXDYDNUSA-N 2 0 333.867 3.178 20 0 EGADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420392143 309285981 /nfs/dbraw/zinc/28/59/81/309285981.db2.gz UITFBRUORAZKOX-UHFFFAOYSA-N 2 0 341.455 3.349 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000420405883 309286714 /nfs/dbraw/zinc/28/67/14/309286714.db2.gz NBWQCDYSFHIPAV-BDTNDASRSA-N 2 0 338.495 3.438 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000420982853 309305603 /nfs/dbraw/zinc/30/56/03/309305603.db2.gz POMORRQBCOLVBG-UHFFFAOYSA-N 2 0 335.923 3.332 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCSc3ccccc3)CC2)CC1 ZINC000420978606 309305806 /nfs/dbraw/zinc/30/58/06/309305806.db2.gz JFMAWVMWHABOQU-UHFFFAOYSA-N 2 0 347.572 3.271 20 0 EGADRP CCc1ccccc1C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420985520 309305953 /nfs/dbraw/zinc/30/59/53/309305953.db2.gz WCRTUPBITFWTKY-UHFFFAOYSA-N 2 0 329.532 3.241 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cn2)CC1 ZINC000421337032 309318947 /nfs/dbraw/zinc/31/89/47/309318947.db2.gz YCHASDIGPXOIEF-UHFFFAOYSA-N 2 0 336.483 3.001 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421371006 309321353 /nfs/dbraw/zinc/32/13/53/309321353.db2.gz XKLNUZWVLWREGA-LEWJYISDSA-N 2 0 328.500 3.422 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000421380920 309321830 /nfs/dbraw/zinc/32/18/30/309321830.db2.gz WMSVGIQNIZJDFV-UHFFFAOYSA-N 2 0 327.266 3.117 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000421400218 309323027 /nfs/dbraw/zinc/32/30/27/309323027.db2.gz JWBPGEHXTUKBCX-AOIWGVFYSA-N 2 0 338.536 3.203 20 0 EGADRP COC1([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000421830384 309342083 /nfs/dbraw/zinc/34/20/83/309342083.db2.gz BMIOYAPAHIWBEZ-BZSNNMDCSA-N 2 0 326.525 3.203 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000421832576 309342280 /nfs/dbraw/zinc/34/22/80/309342280.db2.gz GMBLCHAPROGXMV-WDSOQIARSA-N 2 0 338.536 3.082 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000421835033 309342520 /nfs/dbraw/zinc/34/25/20/309342520.db2.gz PILLMGCJEITKBP-ZBFHGGJFSA-N 2 0 340.895 3.236 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421840333 309342577 /nfs/dbraw/zinc/34/25/77/309342577.db2.gz YSHGBRIWESNGIT-DZGCQCFKSA-N 2 0 328.884 3.356 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000421844507 309342969 /nfs/dbraw/zinc/34/29/69/309342969.db2.gz UDKYKWYZNYIZQG-XLIONFOSSA-N 2 0 346.515 3.081 20 0 EGADRP COc1sc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1Br ZINC000422559453 309361703 /nfs/dbraw/zinc/36/17/03/309361703.db2.gz DAJDEZHUMUVXRC-VWYCJHECSA-N 2 0 347.322 3.324 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422636683 309363200 /nfs/dbraw/zinc/36/32/00/309363200.db2.gz NLWIVKDPYSSCDA-KFWWJZLASA-N 2 0 335.517 3.042 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422701256 309363802 /nfs/dbraw/zinc/36/38/02/309363802.db2.gz CZJMZCOGPPTQAJ-RYUDHWBXSA-N 2 0 326.366 3.107 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422713278 309364365 /nfs/dbraw/zinc/36/43/65/309364365.db2.gz PHHTWSRDVWGSHU-HOTGVXAUSA-N 2 0 325.456 3.463 20 0 EGADRP [NH3+][C@H]1C[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)c2ccccc21 ZINC000422716061 309364735 /nfs/dbraw/zinc/36/47/35/309364735.db2.gz TYMALINFPNDECT-RBUKOAKNSA-N 2 0 345.556 3.473 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422727336 309365388 /nfs/dbraw/zinc/36/53/88/309365388.db2.gz CDKIWFJCQPZAPE-YTQUADARSA-N 2 0 343.540 3.433 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422728740 309365530 /nfs/dbraw/zinc/36/55/30/309365530.db2.gz GVWFDPYYYOEZFQ-ORYQWCPZSA-N 2 0 340.467 3.108 20 0 EGADRP COc1ccc(C2(C[NH2+][C@H](C)C3C[NH2+]C3)CCCCC2)cc1OC ZINC000422736421 309365861 /nfs/dbraw/zinc/36/58/61/309365861.db2.gz WDXCCUSOJHHDGR-OAHLLOKOSA-N 2 0 332.488 3.103 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422747530 309366356 /nfs/dbraw/zinc/36/63/56/309366356.db2.gz QHSONEGLONVEKX-KPZWWZAWSA-N 2 0 348.441 3.080 20 0 EGADRP CCC(CC)(CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422758251 309366974 /nfs/dbraw/zinc/36/69/74/309366974.db2.gz IOIUSCGIKJIDRX-RAUXBKROSA-N 2 0 347.547 3.238 20 0 EGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])COCc1ccccc1 ZINC000422770822 309367482 /nfs/dbraw/zinc/36/74/82/309367482.db2.gz XIBXVQSBSWXFDE-LVCYWYKZSA-N 2 0 326.484 3.387 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422775535 309367701 /nfs/dbraw/zinc/36/77/01/309367701.db2.gz BSNLIZWMHKLQEI-BEFAXECRSA-N 2 0 341.455 3.490 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422773514 309367718 /nfs/dbraw/zinc/36/77/18/309367718.db2.gz UGSZSMIWBSNVDV-HOTGVXAUSA-N 2 0 328.456 3.490 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])CC2)cc1 ZINC000422781671 309368065 /nfs/dbraw/zinc/36/80/65/309368065.db2.gz MEIQCSCDTDPAHI-NHCUHLMSSA-N 3 0 345.531 3.157 20 0 EGADRP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[N@@H+](CC4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422799728 309369025 /nfs/dbraw/zinc/36/90/25/309369025.db2.gz YETYHCBNHROVPZ-HBMCJLEFSA-N 2 0 327.516 3.334 20 0 EGADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(Oc2cccc(C)c2C)c1 ZINC000422810654 309369711 /nfs/dbraw/zinc/36/97/11/309369711.db2.gz SCTRFWRKAUAKOC-GOSISDBHSA-N 2 0 343.471 3.334 20 0 EGADRP C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)C1C[NH2+]C1 ZINC000422813160 309369750 /nfs/dbraw/zinc/36/97/50/309369750.db2.gz ROQIZDRIFCAHQL-QGZVFWFLSA-N 2 0 346.478 3.296 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCc3ccccc32)CC[NH2+]CC1 ZINC000422813517 309369933 /nfs/dbraw/zinc/36/99/33/309369933.db2.gz ZKHVYZBWKLEEGA-FUHWJXTLSA-N 2 0 344.499 3.018 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422824303 309370302 /nfs/dbraw/zinc/37/03/02/309370302.db2.gz NKAROJGMNBRLKD-JKSUJKDBSA-N 2 0 330.394 3.373 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422826862 309370502 /nfs/dbraw/zinc/37/05/02/309370502.db2.gz RHLMZLNKUSQHCU-BBWFWOEESA-N 2 0 332.488 3.090 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422830413 309370786 /nfs/dbraw/zinc/37/07/86/309370786.db2.gz QZPMMBLVBBHIAH-XUVXKRRUSA-N 3 0 347.572 3.470 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422839608 309371310 /nfs/dbraw/zinc/37/13/10/309371310.db2.gz QVLAXJUKECPMNB-ZWOKBUDYSA-N 3 0 332.536 3.400 20 0 EGADRP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422843427 309371553 /nfs/dbraw/zinc/37/15/53/309371553.db2.gz IFVAEAKBGDZWRQ-HSALFYBXSA-N 2 0 330.516 3.273 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422858766 309372343 /nfs/dbraw/zinc/37/23/43/309372343.db2.gz JEOGOSBLTNOVJD-PCCBWWKXSA-N 2 0 346.515 3.250 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c(OCC(F)(F)F)c1 ZINC000422867458 309372952 /nfs/dbraw/zinc/37/29/52/309372952.db2.gz SHUZPEFCSVNAGQ-HIFRSBDPSA-N 2 0 330.394 3.414 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H](CC)[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422879820 309373574 /nfs/dbraw/zinc/37/35/74/309373574.db2.gz MTPYBAVRONODFO-PMACEKPBSA-N 2 0 346.515 3.254 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCC1 ZINC000422881614 309373806 /nfs/dbraw/zinc/37/38/06/309373806.db2.gz QSYGEDWOQOHTLX-JCGIZDLHSA-N 2 0 336.907 3.494 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422883042 309373849 /nfs/dbraw/zinc/37/38/49/309373849.db2.gz UDEYGHRJLUWLDT-HSALFYBXSA-N 2 0 346.490 3.384 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422885989 309373980 /nfs/dbraw/zinc/37/39/80/309373980.db2.gz ZVYWGMNTXUBWEY-HCXYKTFWSA-N 2 0 331.504 3.235 20 0 EGADRP Fc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422899577 309375082 /nfs/dbraw/zinc/37/50/82/309375082.db2.gz HRGCNCDSLXQONE-HKUYNNGSSA-N 2 0 330.378 3.310 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422909730 309375908 /nfs/dbraw/zinc/37/59/08/309375908.db2.gz OXEBRQPWJSUFQH-AVVWSFFYSA-N 2 0 337.895 3.034 20 0 EGADRP COc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422921143 309376243 /nfs/dbraw/zinc/37/62/43/309376243.db2.gz NKWDEQNPEHFEPI-HSALFYBXSA-N 2 0 332.488 3.365 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422924989 309376531 /nfs/dbraw/zinc/37/65/31/309376531.db2.gz ZOSITAFHUBPTBQ-ZOWXZIJZSA-N 2 0 328.859 3.099 20 0 EGADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000422943847 309377423 /nfs/dbraw/zinc/37/74/23/309377423.db2.gz YUIJUXCDCTZSDO-CDHQVMDDSA-N 2 0 328.431 3.272 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422956767 309378126 /nfs/dbraw/zinc/37/81/26/309378126.db2.gz LXBUCIZVVSGZRN-PKOBYXMFSA-N 2 0 343.515 3.256 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422958715 309378257 /nfs/dbraw/zinc/37/82/57/309378257.db2.gz YUYHHPBVTXKADJ-GOEBONIOSA-N 2 0 330.501 3.115 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422963251 309378574 /nfs/dbraw/zinc/37/85/74/309378574.db2.gz FJLNFSDVNLNKGQ-IOMROCGXSA-N 2 0 340.511 3.337 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422964900 309378680 /nfs/dbraw/zinc/37/86/80/309378680.db2.gz NAKXPFZPJQQQSZ-GJZGRUSLSA-N 2 0 326.282 3.111 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccco1 ZINC000422972438 309379010 /nfs/dbraw/zinc/37/90/10/309379010.db2.gz LQDDHSDAEBSUFM-KBXCAEBGSA-N 2 0 330.476 3.175 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1 ZINC000422981286 309379271 /nfs/dbraw/zinc/37/92/71/309379271.db2.gz NPXZVRBYYIHGAH-LKUPVBHCSA-N 2 0 338.451 3.299 20 0 EGADRP C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCCC1)C1C[NH2+]C1 ZINC000422999371 309380204 /nfs/dbraw/zinc/38/02/04/309380204.db2.gz SKQAGNWAFIMTFY-CYBMUJFWSA-N 2 0 337.305 3.458 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423013859 309380966 /nfs/dbraw/zinc/38/09/66/309380966.db2.gz NOJKDDWXURBSCZ-QFBILLFUSA-N 2 0 326.488 3.488 20 0 EGADRP COc1ccccc1[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccn1 ZINC000423014112 309381057 /nfs/dbraw/zinc/38/10/57/309381057.db2.gz OIMFHFSPZSTENY-ALLBUHFWSA-N 2 0 325.456 3.287 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423026295 309381682 /nfs/dbraw/zinc/38/16/82/309381682.db2.gz QANFLZPSWRNQRA-JCURWCKSSA-N 2 0 325.859 3.307 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423047492 309382980 /nfs/dbraw/zinc/38/29/80/309382980.db2.gz HESLUCRRUNZTCX-YWPYICTPSA-N 2 0 328.859 3.099 20 0 EGADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423050984 309383182 /nfs/dbraw/zinc/38/31/82/309383182.db2.gz MQHAPOXRNARKRI-IZZBFERCSA-N 2 0 344.499 3.426 20 0 EGADRP C[C@@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000423054504 309383394 /nfs/dbraw/zinc/38/33/94/309383394.db2.gz UUQGXYCFAWDHHJ-WQVCFCJDSA-N 2 0 329.410 3.038 20 0 EGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423058370 309383504 /nfs/dbraw/zinc/38/35/04/309383504.db2.gz BYKMOMMNKRDWKZ-VVLHAWIVSA-N 2 0 342.405 3.079 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423069671 309384250 /nfs/dbraw/zinc/38/42/50/309384250.db2.gz BMGSDQQBXGBMMB-XFWGSAIBSA-N 2 0 334.479 3.192 20 0 EGADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC000423076744 309384579 /nfs/dbraw/zinc/38/45/79/309384579.db2.gz RXTFXMVQNVQQQZ-PFAUGDHASA-N 2 0 346.490 3.192 20 0 EGADRP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@H](C)C3C[NH2+]C3)c2)c1 ZINC000423102109 309385990 /nfs/dbraw/zinc/38/59/90/309385990.db2.gz JRZKOLQIHOZXMR-CQSZACIVSA-N 2 0 342.439 3.194 20 0 EGADRP Clc1ccc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423111550 309386528 /nfs/dbraw/zinc/38/65/28/309386528.db2.gz WHCIGOAAYGRVFB-HRCADAONSA-N 2 0 342.936 3.471 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423121821 309387013 /nfs/dbraw/zinc/38/70/13/309387013.db2.gz JCGLVUHCRNCTKJ-VDGAXYAQSA-N 2 0 333.520 3.197 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(Cl)c1OC ZINC000423127342 309387249 /nfs/dbraw/zinc/38/72/49/309387249.db2.gz BWOBTBWTMKPNKP-KBPBESRZSA-N 2 0 326.868 3.007 20 0 EGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423129412 309387414 /nfs/dbraw/zinc/38/74/14/309387414.db2.gz LWHZXIXLWOYQMQ-QFHJOOASSA-N 2 0 331.479 3.305 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423134523 309387723 /nfs/dbraw/zinc/38/77/23/309387723.db2.gz MJYPZODWHPPUNI-NVXWUHKLSA-N 2 0 334.533 3.161 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c2ccccc21 ZINC000423136075 309387750 /nfs/dbraw/zinc/38/77/50/309387750.db2.gz GPKLXJVKQPJILV-KYNGSXCRSA-N 2 0 325.431 3.386 20 0 EGADRP c1cncc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CCO2)c1 ZINC000423154348 309388468 /nfs/dbraw/zinc/38/84/68/309388468.db2.gz OSPNVCAELCMRDC-OBKDMQGPSA-N 2 0 329.488 3.202 20 0 EGADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423157373 309388703 /nfs/dbraw/zinc/38/87/03/309388703.db2.gz ARQHJECUVYUWQU-AVYPCKFXSA-N 2 0 330.447 3.313 20 0 EGADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)c1 ZINC000423176691 309389171 /nfs/dbraw/zinc/38/91/71/309389171.db2.gz COSTTXRLZYLBSL-IEBWSBKVSA-N 2 0 335.923 3.251 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-c2cccs2)cc1 ZINC000423181744 309389298 /nfs/dbraw/zinc/38/92/98/309389298.db2.gz PKRNZGQIWDXLCV-MRXNPFEDSA-N 2 0 329.513 3.361 20 0 EGADRP [NH3+]CCN[C@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000423192010 309389951 /nfs/dbraw/zinc/38/99/51/309389951.db2.gz UZZBBOYIPWGRKK-MRXNPFEDSA-N 2 0 337.236 3.420 20 0 EGADRP C[NH2+]CCC[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423209332 309390448 /nfs/dbraw/zinc/39/04/48/309390448.db2.gz ZYVKLQWSZYBTRY-FQEVSTJZSA-N 2 0 328.456 3.187 20 0 EGADRP CC1CC[NH+](CCC[C@@H](N[C@H]2CC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423209523 309390477 /nfs/dbraw/zinc/39/04/77/309390477.db2.gz GICAGTKZJIRJFU-VQTJNVASSA-N 2 0 333.495 3.330 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(SC2CCCC2)cc1 ZINC000423210822 309390508 /nfs/dbraw/zinc/39/05/08/309390508.db2.gz XQBJZTWGVOQDPE-MRXNPFEDSA-N 2 0 333.545 3.277 20 0 EGADRP C[C@H]([NH2+][C@H]1CCc2sc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423221967 309391247 /nfs/dbraw/zinc/39/12/47/309391247.db2.gz YXQZAELOFGZMCH-UMNHJUIQSA-N 2 0 329.307 3.476 20 0 EGADRP COc1cc(OC)c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000423332114 309395596 /nfs/dbraw/zinc/39/55/96/309395596.db2.gz OXEIJJUHUVQTTJ-GFCCVEGCSA-N 2 0 326.868 3.398 20 0 EGADRP Brc1ccccc1C[C@H]([NH2+]CC1=CC[NH2+]CC1)C1CC1 ZINC000423362288 309396930 /nfs/dbraw/zinc/39/69/30/309396930.db2.gz XRPRGZQXWCQLID-KRWDZBQOSA-N 2 0 335.289 3.280 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000423366429 309397238 /nfs/dbraw/zinc/39/72/38/309397238.db2.gz LJNYTYCDWPOHGI-LTDCPUDJSA-N 2 0 338.442 3.204 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423383585 309397887 /nfs/dbraw/zinc/39/78/87/309397887.db2.gz GZXXGYDJYAYEGS-ZDUSSCGKSA-N 2 0 341.293 3.116 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423381721 309397970 /nfs/dbraw/zinc/39/79/70/309397970.db2.gz NXZWCZCRAGLTIQ-GHRYLNIYSA-N 2 0 327.516 3.160 20 0 EGADRP CCC(CC)(CNC(=O)CC1(C[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000423407209 309398906 /nfs/dbraw/zinc/39/89/06/309398906.db2.gz LZHVUBZWYMWQQH-MRXNPFEDSA-N 2 0 331.504 3.141 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CCCC1)c1ccccc1 ZINC000423407005 309398947 /nfs/dbraw/zinc/39/89/47/309398947.db2.gz LMJFVLCLHHWWBJ-JENIJYKNSA-N 2 0 343.515 3.154 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ncc(Br)s1 ZINC000423418205 309399396 /nfs/dbraw/zinc/39/93/96/309399396.db2.gz HBMBDBQVYUCALK-GMTAPVOTSA-N 2 0 332.311 3.321 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423418081 309399559 /nfs/dbraw/zinc/39/95/59/309399559.db2.gz GOCIBMTZHBUMNG-KZNAEPCWSA-N 3 0 333.520 3.043 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423428968 309400056 /nfs/dbraw/zinc/40/00/56/309400056.db2.gz GYDWARVDLHBUSG-HRCADAONSA-N 2 0 346.471 3.120 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccccc1I ZINC000423446778 309400742 /nfs/dbraw/zinc/40/07/42/309400742.db2.gz ZBVXWZQMCAAALL-NEPJUHHUSA-N 2 0 346.256 3.459 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423451022 309400850 /nfs/dbraw/zinc/40/08/50/309400850.db2.gz UIOCWWCHRGHWBA-IRLDBZIGSA-N 2 0 349.478 3.390 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423461528 309401153 /nfs/dbraw/zinc/40/11/53/309401153.db2.gz SWIBXOLONWMFPE-BXUZGUMPSA-N 2 0 327.266 3.380 20 0 EGADRP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000423469844 309401425 /nfs/dbraw/zinc/40/14/25/309401425.db2.gz KUYPHVLTBIMNMX-SIXWZSSISA-N 2 0 330.451 3.086 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000423540646 309405686 /nfs/dbraw/zinc/40/56/86/309405686.db2.gz KEGPLVMKXNSOBN-PSOLEGPJSA-N 2 0 332.488 3.174 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423541668 309405800 /nfs/dbraw/zinc/40/58/00/309405800.db2.gz LHFWCGRVMHEGSU-BORJPKMPSA-N 2 0 329.444 3.208 20 0 EGADRP [NH3+]Cc1cc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc(C(F)(F)F)c1 ZINC000423619839 309408229 /nfs/dbraw/zinc/40/82/29/309408229.db2.gz IUDKVWFHAGWGBB-HNNXBMFYSA-N 2 0 343.393 3.400 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)CC1CCCCC1 ZINC000424126293 309430056 /nfs/dbraw/zinc/43/00/56/309430056.db2.gz BHBGISDRJUCCCF-RTBURBONSA-N 2 0 335.536 3.151 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000430576111 309611318 /nfs/dbraw/zinc/61/13/18/309611318.db2.gz RPIWGGGMAYITOY-HNNXBMFYSA-N 2 0 328.460 3.428 20 0 EGADRP CC(C)(C)c1cccc(OCC[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430590953 309612237 /nfs/dbraw/zinc/61/22/37/309612237.db2.gz JHQCPPBUUHFSGK-UHFFFAOYSA-N 2 0 334.504 3.193 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cc2ccccc2s1 ZINC000433145352 309679951 /nfs/dbraw/zinc/67/99/51/309679951.db2.gz PZDUBWGHFJUISR-AWEZNQCLSA-N 2 0 345.512 3.282 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000433226206 309682723 /nfs/dbraw/zinc/68/27/23/309682723.db2.gz FPYHFCRSINUWQF-FQEVSTJZSA-N 2 0 339.483 3.057 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000446886450 309970253 /nfs/dbraw/zinc/97/02/53/309970253.db2.gz GQAFWAHKINAVLU-LAUBAEHRSA-N 3 0 333.564 3.494 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000447603525 309984152 /nfs/dbraw/zinc/98/41/52/309984152.db2.gz XZQUMWSRYFAJGU-AWEZNQCLSA-N 2 0 347.286 3.375 20 0 EGADRP COc1cc(F)cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000449091025 310036331 /nfs/dbraw/zinc/03/63/31/310036331.db2.gz OPTQHLVXFKITQU-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000449094218 310036642 /nfs/dbraw/zinc/03/66/42/310036642.db2.gz RBGBIQASZPYOMQ-BHIYHBOVSA-N 2 0 336.907 3.098 20 0 EGADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccnn2C2CCCC2)ccc1F ZINC000449152800 310040801 /nfs/dbraw/zinc/04/08/01/310040801.db2.gz HKILAPIGYQVLFN-UHFFFAOYSA-N 2 0 330.451 3.489 20 0 EGADRP C[C@H](CC(C)(C)C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000449180328 310042731 /nfs/dbraw/zinc/04/27/31/310042731.db2.gz ZSUGMCOFCNVRGQ-OAHLLOKOSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000449185068 310043017 /nfs/dbraw/zinc/04/30/17/310043017.db2.gz FTZGHSPMQUAZEK-UIAACRFSSA-N 2 0 342.483 3.331 20 0 EGADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449449600 310062673 /nfs/dbraw/zinc/06/26/73/310062673.db2.gz MANGONUAQPXTFU-RSPOEFSDSA-N 2 0 330.516 3.426 20 0 EGADRP FCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000449488023 310066303 /nfs/dbraw/zinc/06/63/03/310066303.db2.gz BUTGMAVSGKURBE-VAMGGRTRSA-N 2 0 346.490 3.253 20 0 EGADRP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449588515 310074079 /nfs/dbraw/zinc/07/40/79/310074079.db2.gz KYQDZHFEGQRDFH-WRTQPQOASA-N 2 0 328.500 3.038 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000449745549 310083995 /nfs/dbraw/zinc/08/39/95/310083995.db2.gz NUBOGWMKXHGLRO-INIZCTEOSA-N 2 0 337.939 3.449 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000449747950 310084135 /nfs/dbraw/zinc/08/41/35/310084135.db2.gz ZCSULURSFVZWPE-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP C[C@H](NCC[N@@H+]1CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780526 310086760 /nfs/dbraw/zinc/08/67/60/310086760.db2.gz GFSKAAQRFXXVGL-ICSRJNTNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000453068230 310255575 /nfs/dbraw/zinc/25/55/75/310255575.db2.gz XZNQZCCVYUBVJQ-ROUUACIJSA-N 2 0 338.499 3.429 20 0 EGADRP CCC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCC1 ZINC000453120575 310259413 /nfs/dbraw/zinc/25/94/13/310259413.db2.gz CTVGLQXUBVEAOH-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000453194768 310263354 /nfs/dbraw/zinc/26/33/54/310263354.db2.gz ICACOMVRXUGNSY-BEFAXECRSA-N 2 0 330.497 3.474 20 0 EGADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453237311 310265930 /nfs/dbraw/zinc/26/59/30/310265930.db2.gz VDICGSLMNIHQIK-BQJUDKOJSA-N 2 0 330.516 3.284 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ncccc2C)[C@@H](C)C1 ZINC000453306963 310270201 /nfs/dbraw/zinc/27/02/01/310270201.db2.gz KWDGZYALQJQDJV-AZUAARDMSA-N 2 0 333.520 3.049 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453604328 310283993 /nfs/dbraw/zinc/28/39/93/310283993.db2.gz ZFNYASMHUOORAZ-UHFFFAOYSA-N 2 0 326.488 3.453 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000455225431 310351079 /nfs/dbraw/zinc/35/10/79/310351079.db2.gz JQFDOQLZFOXNSN-UHFFFAOYSA-N 2 0 334.508 3.033 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000457388180 310450922 /nfs/dbraw/zinc/45/09/22/310450922.db2.gz YRHIFEUHVVNPLS-UHFFFAOYSA-N 2 0 337.467 3.304 20 0 EGADRP Cc1ccc2c(c1)nc(C[NH2+]C1CCN(c3cc[nH+]cc3)CC1)n2C ZINC000459542287 310559760 /nfs/dbraw/zinc/55/97/60/310559760.db2.gz XRPXIDFPLYBPTG-UHFFFAOYSA-N 2 0 335.455 3.035 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000462117087 310595752 /nfs/dbraw/zinc/59/57/52/310595752.db2.gz AVAPPLSFGSDHIC-OAHLLOKOSA-N 2 0 345.314 3.361 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000488449106 311066076 /nfs/dbraw/zinc/06/60/76/311066076.db2.gz MUHFFIGHABVZRT-VSZNYVQBSA-N 2 0 328.566 3.243 20 0 EGADRP CC(C)(C)OC1CC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000491020222 311161013 /nfs/dbraw/zinc/16/10/13/311161013.db2.gz MDUMSVJGRYOZKF-HDYDNRTBSA-N 2 0 330.516 3.487 20 0 EGADRP O=C(C=Cc1c[nH]cn1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000492810291 311294068 /nfs/dbraw/zinc/29/40/68/311294068.db2.gz HXLFLHZYZFCPFE-OZSKJFCKSA-N 2 0 344.846 3.030 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000503872238 311995603 /nfs/dbraw/zinc/99/56/03/311995603.db2.gz MTKDEAUYNFQZMY-IAOVAPTHSA-N 2 0 342.430 3.438 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000506471535 312049927 /nfs/dbraw/zinc/04/99/27/312049927.db2.gz CWXKNZSDWAUGJW-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CCc1cccnc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000507515107 312075852 /nfs/dbraw/zinc/07/58/52/312075852.db2.gz UOSJGPWDECABEV-KRWDZBQOSA-N 2 0 341.499 3.478 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512191754 312178584 /nfs/dbraw/zinc/17/85/84/312178584.db2.gz AUAODZSHYXOBQE-HDICACEKSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000512610500 312190020 /nfs/dbraw/zinc/19/00/20/312190020.db2.gz BTISEBFAJWHLPZ-DOIPELPJSA-N 2 0 328.500 3.446 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191792 /nfs/dbraw/zinc/19/17/92/312191792.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 2 0 341.543 3.361 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C2CCCC2)cc1 ZINC000514829648 312247352 /nfs/dbraw/zinc/24/73/52/312247352.db2.gz JRJPCAWLNVABQE-UHFFFAOYSA-N 2 0 329.532 3.414 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000515089817 312265284 /nfs/dbraw/zinc/26/52/84/312265284.db2.gz NSYWAVOCKLJIKJ-RTBURBONSA-N 2 0 329.532 3.112 20 0 EGADRP CCOc1cc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc(Cl)c1O ZINC000515608624 312291162 /nfs/dbraw/zinc/29/11/62/312291162.db2.gz HYZMRVDPBKPFPL-ZDUSSCGKSA-N 2 0 326.868 3.264 20 0 EGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]CC2(C)CC2)CC1 ZINC000515951276 312303392 /nfs/dbraw/zinc/30/33/92/312303392.db2.gz DARSIKMOCPZXRE-UHFFFAOYSA-N 2 0 341.421 3.347 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(F)c1 ZINC000516696744 312338163 /nfs/dbraw/zinc/33/81/63/312338163.db2.gz OHMUISITXATPLN-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP Cc1cnc(CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000516765082 312340701 /nfs/dbraw/zinc/34/07/01/312340701.db2.gz TYBAHBFHWFVAQE-KDURUIRLSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CC12CC2 ZINC000527876794 312963971 /nfs/dbraw/zinc/96/39/71/312963971.db2.gz MNDTVEVANPXKHD-YLJYHZDGSA-N 2 0 328.500 3.482 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528388920 313081080 /nfs/dbraw/zinc/08/10/80/313081080.db2.gz RSZJIBNHILXKTN-VQTJNVASSA-N 2 0 334.479 3.334 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(C(F)(F)F)c1 ZINC000529523438 313341804 /nfs/dbraw/zinc/34/18/04/313341804.db2.gz QLRHTZIQSGNLPB-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP COc1cc2c(cc1CN(C)CC[C@@H]1CCCC[N@@H+]1C)O[C@@H](C)C2 ZINC000536678534 314138170 /nfs/dbraw/zinc/13/81/70/314138170.db2.gz CALXDVHZJXOMJC-YJBOKZPZSA-N 2 0 332.488 3.325 20 0 EGADRP C[C@@H]([NH2+]CCOc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000536877345 314152252 /nfs/dbraw/zinc/15/22/52/314152252.db2.gz PHWITALCIJDSIO-MRXNPFEDSA-N 2 0 346.446 3.496 20 0 EGADRP CC[NH+]1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000538196645 314231780 /nfs/dbraw/zinc/23/17/80/314231780.db2.gz TZZAQSOFONZSNI-QUCCMNQESA-N 3 0 329.532 3.361 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000539546236 314319933 /nfs/dbraw/zinc/31/99/33/314319933.db2.gz LLXRPNXNJMMFPU-OXQOHEQNSA-N 2 0 329.488 3.355 20 0 EGADRP CCCc1ccc([C@@H]([NH2+]CCCN2CCC[C@@H]2C(N)=O)C(C)C)cc1 ZINC000540301717 314373393 /nfs/dbraw/zinc/37/33/93/314373393.db2.gz NTQDLOQDRYAERG-UXHICEINSA-N 2 0 345.531 3.266 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000540606226 314391872 /nfs/dbraw/zinc/39/18/72/314391872.db2.gz HPSQJAAOWDXXGA-CQSZACIVSA-N 2 0 335.879 3.217 20 0 EGADRP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000551908362 315177188 /nfs/dbraw/zinc/17/71/88/315177188.db2.gz DMAHXLKJYZNMME-MRXNPFEDSA-N 2 0 347.503 3.074 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000554882077 315353948 /nfs/dbraw/zinc/35/39/48/315353948.db2.gz GEGOLMBMACXQGL-HNNXBMFYSA-N 2 0 337.458 3.254 20 0 EGADRP COc1ccc2nc(CN3CCC[C@@H]4C[N@H+](C)CC[C@H]43)sc2c1 ZINC000554886448 315354480 /nfs/dbraw/zinc/35/44/80/315354480.db2.gz KUZFECNSXKCKRW-CZUORRHYSA-N 2 0 331.485 3.221 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555231332 315374594 /nfs/dbraw/zinc/37/45/94/315374594.db2.gz YTZWQFVIBYVCNN-CJNGLKHVSA-N 2 0 339.911 3.226 20 0 EGADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000560102070 315660716 /nfs/dbraw/zinc/66/07/16/315660716.db2.gz VLWUJRARJUMDRU-YXYSEUPNSA-N 2 0 329.532 3.389 20 0 EGADRP Oc1cc(F)cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000564507231 316159641 /nfs/dbraw/zinc/15/96/41/316159641.db2.gz ULUOPPQGRVVGOP-MOPGFXCFSA-N 2 0 340.442 3.485 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]C2CCC3(CC3)CC2)c2ccccc2)CC1 ZINC000564512579 316160739 /nfs/dbraw/zinc/16/07/39/316160739.db2.gz SWZOQOJYNNKWFJ-HXUWFJFHSA-N 2 0 327.516 3.288 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000565225999 316294357 /nfs/dbraw/zinc/29/43/57/316294357.db2.gz IMDKBQCEIWJNKS-MISYRCLQSA-N 2 0 337.467 3.096 20 0 EGADRP c1coc(COCc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)c1 ZINC000566091037 316414925 /nfs/dbraw/zinc/41/49/25/316414925.db2.gz WKDDLLLOATWDPG-DFNIBXOVSA-N 2 0 326.440 3.369 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000567645838 316648771 /nfs/dbraw/zinc/64/87/71/316648771.db2.gz CMALVMYFMLJNGF-XYZKALLWSA-N 2 0 326.843 3.287 20 0 EGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000570691379 317094419 /nfs/dbraw/zinc/09/44/19/317094419.db2.gz YYVQHNPCWDGKNI-IBGZPJMESA-N 2 0 349.563 3.291 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000571073286 317147657 /nfs/dbraw/zinc/14/76/57/317147657.db2.gz PASBOMSORWIEGA-DJJJIMSYSA-N 2 0 346.906 3.456 20 0 EGADRP OC[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC1CCCC1 ZINC000571632488 317225919 /nfs/dbraw/zinc/22/59/19/317225919.db2.gz LAOKCHNAUDVMFF-CUWPLCDZSA-N 2 0 344.499 3.021 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000571770152 317245503 /nfs/dbraw/zinc/24/55/03/317245503.db2.gz MDWQFYWTNDCGCK-GPMSIDNRSA-N 2 0 326.488 3.488 20 0 EGADRP CCCC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000571994181 317276411 /nfs/dbraw/zinc/27/64/11/317276411.db2.gz LUGYOWGTVLSSPL-UHFFFAOYSA-N 2 0 339.430 3.148 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000572635745 317368366 /nfs/dbraw/zinc/36/83/66/317368366.db2.gz FMAFNVVDYZPXNX-FUHWJXTLSA-N 2 0 331.504 3.093 20 0 EGADRP c1coc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176984152 323335453 /nfs/dbraw/zinc/33/54/53/323335453.db2.gz PNAJOBNYHCDIII-UHFFFAOYSA-N 2 0 328.456 3.441 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379665087 324240168 /nfs/dbraw/zinc/24/01/68/324240168.db2.gz RHRSWWJRAAAAJZ-GSEOLPGOSA-N 2 0 343.515 3.063 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382766627 324253788 /nfs/dbraw/zinc/25/37/88/324253788.db2.gz VUMUYMBLXPALAL-MJGOQNOKSA-N 2 0 345.531 3.134 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000575368294 324454217 /nfs/dbraw/zinc/45/42/17/324454217.db2.gz PIQFQDHSUVEYSQ-YOEHRIQHSA-N 2 0 334.533 3.166 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])CCCC1)c1ccccc1 ZINC000577370152 324795103 /nfs/dbraw/zinc/79/51/03/324795103.db2.gz VVWLMTMOJDQAES-YESZJQIVSA-N 2 0 346.519 3.075 20 0 EGADRP CC[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000316768120 456614590 /nfs/dbraw/zinc/61/45/90/456614590.db2.gz DMOSZRNEJHEROQ-FZMZJTMJSA-N 2 0 344.286 3.381 20 0 EGADRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC1(C)C ZINC000578857795 325028482 /nfs/dbraw/zinc/02/84/82/325028482.db2.gz YTVINRVUENRTJO-SLFFLAALSA-N 2 0 329.532 3.389 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579129373 325067781 /nfs/dbraw/zinc/06/77/81/325067781.db2.gz WHCRCCNKRWHKCM-RTBURBONSA-N 3 0 327.472 3.271 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000579209631 325077842 /nfs/dbraw/zinc/07/78/42/325077842.db2.gz WOPRUJVBPXNQEO-LJQANCHMSA-N 2 0 344.503 3.325 20 0 EGADRP CCOC(=O)C1(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000580363515 325239173 /nfs/dbraw/zinc/23/91/73/325239173.db2.gz BTTXANOZBWRPDT-MJGOQNOKSA-N 2 0 344.499 3.220 20 0 EGADRP c1cncc([C@H]2CC[N@@H+](CCC[NH+]3CC[C@@H](c4cccnc4)C3)C2)c1 ZINC000580427793 325248640 /nfs/dbraw/zinc/24/86/40/325248640.db2.gz PJCCTMHXQAQJDM-OYRHEFFESA-N 2 0 336.483 3.146 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000583629362 325539064 /nfs/dbraw/zinc/53/90/64/325539064.db2.gz DKGBMQNJNZBFHZ-FUHWJXTLSA-N 2 0 333.520 3.339 20 0 EGADRP CO[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374695289 457688857 /nfs/dbraw/zinc/68/88/57/457688857.db2.gz SGRCUXLREAWKEZ-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424318360 458614251 /nfs/dbraw/zinc/61/42/51/458614251.db2.gz FUOHODDXFUQMCO-YYIAUSFCSA-N 2 0 326.525 3.309 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000183177552 455244819 /nfs/dbraw/zinc/24/48/19/455244819.db2.gz CICBZDWMTDZGII-UHFFFAOYSA-N 2 0 346.450 3.271 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000238017219 455245501 /nfs/dbraw/zinc/24/55/01/455245501.db2.gz RYABBJNZSWFCNN-UXHICEINSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000180848437 455255530 /nfs/dbraw/zinc/25/55/30/455255530.db2.gz HXARJNOFLKFRSR-GOEBONIOSA-N 2 0 330.501 3.210 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173321738 455266067 /nfs/dbraw/zinc/26/60/67/455266067.db2.gz MCPUXSGLKVOXHF-LSDHHAIUSA-N 2 0 343.437 3.382 20 0 EGADRP CN(CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000180939004 455266232 /nfs/dbraw/zinc/26/62/32/455266232.db2.gz HNODOTUKGWBTJJ-HXUWFJFHSA-N 2 0 333.495 3.161 20 0 EGADRP CC(C)CC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000158125799 455272356 /nfs/dbraw/zinc/27/23/56/455272356.db2.gz BKYDPNKSTNLNLG-LJQANCHMSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000173747895 455332289 /nfs/dbraw/zinc/33/22/89/455332289.db2.gz GSWQTELDUDXYBJ-UHFFFAOYSA-N 2 0 343.471 3.097 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOCC2CC2)CC1 ZINC000181632375 455365409 /nfs/dbraw/zinc/36/54/09/455365409.db2.gz CJMGNOQVVLOCNS-INIZCTEOSA-N 2 0 349.494 3.045 20 0 EGADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000181705081 455374205 /nfs/dbraw/zinc/37/42/05/455374205.db2.gz IJUPUGAWZIBNNM-IBGZPJMESA-N 2 0 331.548 3.360 20 0 EGADRP CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075022709 453853818 /nfs/dbraw/zinc/85/38/18/453853818.db2.gz VRGPGNLUTNSLJQ-FXAWDEMLSA-N 2 0 343.515 3.019 20 0 EGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081408761 453869304 /nfs/dbraw/zinc/86/93/04/453869304.db2.gz IEEHQOCEOIPMHE-MRXNPFEDSA-N 2 0 338.455 3.239 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081636070 453899000 /nfs/dbraw/zinc/89/90/00/453899000.db2.gz BUMDUWPCZWQIIB-GOSISDBHSA-N 2 0 332.488 3.128 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081634415 453899026 /nfs/dbraw/zinc/89/90/26/453899026.db2.gz OFZYTLFSYOGWEK-INIZCTEOSA-N 2 0 349.906 3.332 20 0 EGADRP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000036301324 453927855 /nfs/dbraw/zinc/92/78/55/453927855.db2.gz GPARZGRLJJRLPS-UHFFFAOYSA-N 2 0 330.259 3.006 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc3[nH]ccc32)c2ccccc2)CC1 ZINC000075944235 453941030 /nfs/dbraw/zinc/94/10/30/453941030.db2.gz ZELSQIRVKZWFGE-QFIPXVFZSA-N 2 0 348.494 3.246 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)o1 ZINC000041795856 453978706 /nfs/dbraw/zinc/97/87/06/453978706.db2.gz ZJTONUDBIYAUJV-HNNXBMFYSA-N 2 0 349.500 3.216 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)o1 ZINC000041797965 453979072 /nfs/dbraw/zinc/97/90/72/453979072.db2.gz YLQBOFYCDQYJIC-UHFFFAOYSA-N 2 0 335.492 3.116 20 0 EGADRP CCC(CC)(CC)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000086229737 454044643 /nfs/dbraw/zinc/04/46/43/454044643.db2.gz FPYWOQQNYMELLR-UHFFFAOYSA-N 2 0 345.531 3.457 20 0 EGADRP c1cnc2c(c1)cccc2OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089627514 454170285 /nfs/dbraw/zinc/17/02/85/454170285.db2.gz DYAXTVJQCYIVNO-ZWKOTPCHSA-N 2 0 325.456 3.220 20 0 EGADRP Cc1ccc([C@H](CNC(=O)Nc2ccnc(C)c2)[NH+]2CCCC2)o1 ZINC000119253321 454180908 /nfs/dbraw/zinc/18/09/08/454180908.db2.gz GFNXQMGYYXLMRQ-INIZCTEOSA-N 2 0 328.416 3.250 20 0 EGADRP CC[N@H+](CCOc1ccc(Br)cc1)CC1CC[NH2+]CC1 ZINC000094025020 454183107 /nfs/dbraw/zinc/18/31/07/454183107.db2.gz MSPYDVJIOVYHQB-UHFFFAOYSA-N 2 0 341.293 3.149 20 0 EGADRP [NH3+][C@@H](CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000119482083 454198676 /nfs/dbraw/zinc/19/86/76/454198676.db2.gz IXMYLQZLQCHCJM-PMACEKPBSA-N 2 0 337.467 3.030 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634952690 460627243 /nfs/dbraw/zinc/62/72/43/460627243.db2.gz GMBVYJWEQOXJLX-CALCHBBNSA-N 2 0 326.488 3.478 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CN1C1CC1 ZINC000119762384 454217702 /nfs/dbraw/zinc/21/77/02/454217702.db2.gz QKOIRAMJNDUOJP-WFASDCNBSA-N 2 0 346.862 3.147 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(C[NH+]3CCOCC3)CC1)CCC2 ZINC000130879312 454224277 /nfs/dbraw/zinc/22/42/77/454224277.db2.gz DPMDLGJKPWVQPD-FQEVSTJZSA-N 2 0 332.463 3.247 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000059384476 454258269 /nfs/dbraw/zinc/25/82/69/454258269.db2.gz NLAYTGOEXJTLAY-HDICACEKSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC000090028432 454264670 /nfs/dbraw/zinc/26/46/70/454264670.db2.gz VIBHVDSKFMNFEM-QGZVFWFLSA-N 2 0 343.515 3.181 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)[C@H](C)C1 ZINC000090044337 454265458 /nfs/dbraw/zinc/26/54/58/454265458.db2.gz QEGBJAZHRKMEHS-HUUCEWRRSA-N 2 0 330.501 3.068 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000060453225 454291175 /nfs/dbraw/zinc/29/11/75/454291175.db2.gz PPJHXOLNNGLQQJ-AZUAARDMSA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000090586580 454323854 /nfs/dbraw/zinc/32/38/54/454323854.db2.gz BWQQTYGMJSXIJM-YGKZAACZSA-N 2 0 336.545 3.443 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000120950169 454368922 /nfs/dbraw/zinc/36/89/22/454368922.db2.gz WQRPJRXUGIPGPK-KGLIPLIRSA-N 2 0 327.875 3.013 20 0 EGADRP C[N@H+](CCNC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCC1 ZINC000133241112 454404551 /nfs/dbraw/zinc/40/45/51/454404551.db2.gz YCTGMAHFJMLEPW-UHFFFAOYSA-N 2 0 347.522 3.297 20 0 EGADRP COc1ccc([C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000091283667 454421944 /nfs/dbraw/zinc/42/19/44/454421944.db2.gz LBIQLNBHBCYKJK-HXUWFJFHSA-N 2 0 333.520 3.008 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091320690 454427161 /nfs/dbraw/zinc/42/71/61/454427161.db2.gz WTWGCWVVLNMKID-WIYYLYMNSA-N 2 0 347.547 3.256 20 0 EGADRP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000091333367 454427351 /nfs/dbraw/zinc/42/73/51/454427351.db2.gz OCNPBVIZBYEJBA-OXQOHEQNSA-N 2 0 333.495 3.283 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000121374033 454427366 /nfs/dbraw/zinc/42/73/66/454427366.db2.gz QOFZBTWHOSSUIH-KNQAVFIVSA-N 2 0 343.559 3.179 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739230 454465536 /nfs/dbraw/zinc/46/55/36/454465536.db2.gz DZINLOALWJNYNF-LBTNJELSSA-N 2 0 331.435 3.342 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000048271516 454466123 /nfs/dbraw/zinc/46/61/23/454466123.db2.gz MUUPNGPQBZBZDN-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564897 454498592 /nfs/dbraw/zinc/49/85/92/454498592.db2.gz MKKPXMFRRFVVEH-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122565195 454547467 /nfs/dbraw/zinc/54/74/67/454547467.db2.gz WMEUSZIMRUNZIV-DLBZAZTESA-N 2 0 339.524 3.144 20 0 EGADRP COc1nc2ccccc2cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381047 454558603 /nfs/dbraw/zinc/55/86/03/454558603.db2.gz IDUMAWMERLMJHM-UHFFFAOYSA-N 2 0 327.472 3.407 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC000104146657 454576704 /nfs/dbraw/zinc/57/67/04/454576704.db2.gz MXFIKOVIRRUPMJ-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP CC(C)N(C)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000104359674 454582920 /nfs/dbraw/zinc/58/29/20/454582920.db2.gz VECYHZWBFXRMJU-INIZCTEOSA-N 2 0 325.294 3.236 20 0 EGADRP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000634994367 460642858 /nfs/dbraw/zinc/64/28/58/460642858.db2.gz ALWFOEHZIBDWAH-MSOLQXFVSA-N 2 0 336.483 3.152 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000074589424 454605954 /nfs/dbraw/zinc/60/59/54/454605954.db2.gz XXKPMLKSRKQTQT-KRWDZBQOSA-N 2 0 347.503 3.220 20 0 EGADRP Cc1cnn(CCCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134926401 454611150 /nfs/dbraw/zinc/61/11/50/454611150.db2.gz DEOIMMUIDVPBPD-QUCCMNQESA-N 2 0 330.520 3.311 20 0 EGADRP COc1ccnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092820902 454639979 /nfs/dbraw/zinc/63/99/79/454639979.db2.gz DJLWQFJWEWNKIP-UHFFFAOYSA-N 2 0 340.471 3.224 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000105476818 454640975 /nfs/dbraw/zinc/64/09/75/454640975.db2.gz JPCGKKLQAGDVOU-UHFFFAOYSA-N 2 0 330.303 3.111 20 0 EGADRP C[N@H+](CC[C@H]1CCC[NH+]1C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821726 454641851 /nfs/dbraw/zinc/64/18/51/454641851.db2.gz OXALKKSWLHCBBA-LJQANCHMSA-N 3 0 330.520 3.104 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000052208884 454662202 /nfs/dbraw/zinc/66/22/02/454662202.db2.gz SQNJXHXBJRVWRM-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000123675195 454663961 /nfs/dbraw/zinc/66/39/61/454663961.db2.gz GGKSWTWZYDMODO-NPMXOYFQSA-N 2 0 330.497 3.336 20 0 EGADRP CC(C)n1ncc2cc(C[N@H+](C)CC3CC[NH+](C)CC3)c(Cl)nc21 ZINC000093088725 454680459 /nfs/dbraw/zinc/68/04/59/454680459.db2.gz MYETXKWCJMLREL-UHFFFAOYSA-N 2 0 349.910 3.439 20 0 EGADRP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000093132948 454686763 /nfs/dbraw/zinc/68/67/63/454686763.db2.gz XZCKZNXKKBOLPS-KRWDZBQOSA-N 2 0 341.499 3.207 20 0 EGADRP C[C@H](N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000635004044 460648761 /nfs/dbraw/zinc/64/87/61/460648761.db2.gz MSUNQOYFIDOGDF-VBNZEHGJSA-N 2 0 329.410 3.038 20 0 EGADRP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000161695301 454715683 /nfs/dbraw/zinc/71/56/83/454715683.db2.gz BFPZLTBXPAMZEM-IAGOWNOFSA-N 2 0 345.512 3.208 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000124389124 454727054 /nfs/dbraw/zinc/72/70/54/454727054.db2.gz MGYLJMJQXBLODO-GOSISDBHSA-N 2 0 333.520 3.156 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000124420159 454730406 /nfs/dbraw/zinc/73/04/06/454730406.db2.gz QZBPFELKQZHELJ-CYBMUJFWSA-N 2 0 343.437 3.028 20 0 EGADRP c1ccc([C@H]2C[C@@H]2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735047 454732071 /nfs/dbraw/zinc/73/20/71/454732071.db2.gz DPDSVRVNRBKIPA-TZIWHRDSSA-N 2 0 328.500 3.367 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cnc2ccsc2c1 ZINC000124497150 454740702 /nfs/dbraw/zinc/74/07/02/454740702.db2.gz SCFZMKYIBSDBKG-OAHLLOKOSA-N 2 0 346.544 3.221 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000635008825 460651878 /nfs/dbraw/zinc/65/18/78/460651878.db2.gz HLSHTKHCEFZQSH-UTKZUKDTSA-N 2 0 341.543 3.465 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2ccccc2o1 ZINC000124527093 454745100 /nfs/dbraw/zinc/74/51/00/454745100.db2.gz KESHSMSFPLXNJG-INIZCTEOSA-N 2 0 329.488 3.357 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F)CN1CCOCC1 ZINC000153136754 454763934 /nfs/dbraw/zinc/76/39/34/454763934.db2.gz XZPWTOQPNWTHEN-KBPBESRZSA-N 2 0 346.393 3.204 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162319375 454767355 /nfs/dbraw/zinc/76/73/55/454767355.db2.gz ALMWXJZRVQREOA-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000635011145 460653792 /nfs/dbraw/zinc/65/37/92/460653792.db2.gz XUMUWVNSPRXDLG-CYBMUJFWSA-N 2 0 348.397 3.266 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000162527448 454780792 /nfs/dbraw/zinc/78/07/92/454780792.db2.gz FRBBYEMPKYYSBN-HOTGVXAUSA-N 2 0 346.544 3.015 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNCc2ccccc2OCc2cccnc2)C1 ZINC000108427875 454797832 /nfs/dbraw/zinc/79/78/32/454797832.db2.gz GFHNUJRFPHMWPS-KRWDZBQOSA-N 2 0 325.456 3.092 20 0 EGADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000162810207 454802107 /nfs/dbraw/zinc/80/21/07/454802107.db2.gz WWVHRUGXFIWKEF-GEQKSPFYSA-N 2 0 340.577 3.453 20 0 EGADRP CC[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000162810441 454802310 /nfs/dbraw/zinc/80/23/10/454802310.db2.gz WWVHRUGXFIWKEF-WCAVRKLYSA-N 2 0 340.577 3.453 20 0 EGADRP Cc1csc(N2CCC([NH2+][C@@H]3CCN(C4CCCC4)C3)CC2)n1 ZINC000153697520 454822139 /nfs/dbraw/zinc/82/21/39/454822139.db2.gz JDJKPFBLSBQDCS-MRXNPFEDSA-N 2 0 334.533 3.027 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000177259938 454844037 /nfs/dbraw/zinc/84/40/37/454844037.db2.gz MBEOSKSRASDBHG-KRWDZBQOSA-N 2 0 335.536 3.164 20 0 EGADRP c1coc([C@@H](CNC2CC[NH+](CC3CC3)CC2)[NH+]2CCCCC2)c1 ZINC000154006311 454856249 /nfs/dbraw/zinc/85/62/49/454856249.db2.gz RCEYHSJDAYJJSH-LJQANCHMSA-N 2 0 331.504 3.271 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000154278137 454880795 /nfs/dbraw/zinc/88/07/95/454880795.db2.gz IFLKVHNJEPDCIX-FQEVSTJZSA-N 2 0 335.511 3.010 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000154279085 454881077 /nfs/dbraw/zinc/88/10/77/454881077.db2.gz UDEMZQYFEZFYCW-OAHLLOKOSA-N 2 0 343.437 3.384 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164731196 454888353 /nfs/dbraw/zinc/88/83/53/454888353.db2.gz DJBWIJHCZMIBBA-PMACEKPBSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C[NH+]1CCCC1 ZINC000165274855 454897261 /nfs/dbraw/zinc/89/72/61/454897261.db2.gz VCZJAUNOHRIUIQ-HOTGVXAUSA-N 2 0 344.503 3.353 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165281455 454897809 /nfs/dbraw/zinc/89/78/09/454897809.db2.gz RYSRWHRFWDIUNP-LSDHHAIUSA-N 2 0 329.488 3.299 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)[C@H](C)C1 ZINC000165632792 454902464 /nfs/dbraw/zinc/90/24/64/454902464.db2.gz CMVBJBYEFPNKKQ-RTBURBONSA-N 2 0 340.552 3.046 20 0 EGADRP c1ccc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)nc1 ZINC000126645027 454907802 /nfs/dbraw/zinc/90/78/02/454907802.db2.gz RGXCMFOANGDOTG-AZUAARDMSA-N 2 0 337.467 3.377 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150990151 454922260 /nfs/dbraw/zinc/92/22/60/454922260.db2.gz JYEBLQBWSXYEFY-NRFANRHFSA-N 2 0 331.548 3.259 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000150995870 454923188 /nfs/dbraw/zinc/92/31/88/454923188.db2.gz KKGIVTBTFKDSNW-CQSZACIVSA-N 2 0 329.941 3.468 20 0 EGADRP CCC(CC)(CNC(=O)C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000168760911 454927488 /nfs/dbraw/zinc/92/74/88/454927488.db2.gz DGEYDYAAWANRCI-WMZOPIPTSA-N 2 0 331.504 3.154 20 0 EGADRP C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000169139014 454929263 /nfs/dbraw/zinc/92/92/63/454929263.db2.gz XCFAFFBHFYXUBF-UTKZUKDTSA-N 2 0 342.483 3.185 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155024292 454954214 /nfs/dbraw/zinc/95/42/14/454954214.db2.gz CQJKHGZQAWAPNF-ROUUACIJSA-N 2 0 333.520 3.008 20 0 EGADRP CC(=O)c1ccccc1OCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000179698371 455067694 /nfs/dbraw/zinc/06/76/94/455067694.db2.gz HIQAZSQYRCFLQU-UHFFFAOYSA-N 2 0 332.488 3.322 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000156376234 455111226 /nfs/dbraw/zinc/11/12/26/455111226.db2.gz XHDFYPZZRBNMRN-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+](C3c4ccccc4-c4ccccc43)C2)CC1 ZINC000118834576 455113441 /nfs/dbraw/zinc/11/34/41/455113441.db2.gz XBXVULXQSXPGGW-SFHVURJKSA-N 2 0 347.506 3.468 20 0 EGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000152403309 455113788 /nfs/dbraw/zinc/11/37/88/455113788.db2.gz RQPZZWAGXFAPKM-GUDVDZBRSA-N 2 0 344.547 3.002 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000263963495 455173605 /nfs/dbraw/zinc/17/36/05/455173605.db2.gz JKNKJVYXDWKITG-FQEVSTJZSA-N 2 0 343.515 3.156 20 0 EGADRP O[C@H]1CC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000189311214 455174323 /nfs/dbraw/zinc/17/43/23/455174323.db2.gz CGUJRMAGUZCWFB-IFLJBQAJSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237524030 455191056 /nfs/dbraw/zinc/19/10/56/455191056.db2.gz WTFNPPXGRCWGRX-KRWDZBQOSA-N 2 0 343.515 3.067 20 0 EGADRP CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000183054116 455217945 /nfs/dbraw/zinc/21/79/45/455217945.db2.gz SKQHKSHQNNTWEV-KURKYZTESA-N 2 0 345.531 3.180 20 0 EGADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202580 455280648 /nfs/dbraw/zinc/28/06/48/455280648.db2.gz TZJKIHZOMQUVMB-FGTMMUONSA-N 2 0 343.515 3.160 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)oc21 ZINC000181468378 455338727 /nfs/dbraw/zinc/33/87/27/455338727.db2.gz TXYORUTXEFSKOK-HNNXBMFYSA-N 2 0 345.487 3.118 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC[N@@H+]1C ZINC000181596061 455359580 /nfs/dbraw/zinc/35/95/80/455359580.db2.gz NEVVVPLGVOHRKL-CZUORRHYSA-N 2 0 330.394 3.338 20 0 EGADRP C[C@H](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000184331345 455372115 /nfs/dbraw/zinc/37/21/15/455372115.db2.gz XBBSYYHYXBHMFW-MRXNPFEDSA-N 2 0 339.524 3.240 20 0 EGADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000181775733 455381584 /nfs/dbraw/zinc/38/15/84/455381584.db2.gz SPNTZOGOPRKIPL-QXAKKESOSA-N 2 0 338.536 3.061 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174370803 455383582 /nfs/dbraw/zinc/38/35/82/455383582.db2.gz ZOZAOKGJVROLME-LSTHTHJFSA-N 2 0 343.515 3.052 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](NCc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000246069622 455421511 /nfs/dbraw/zinc/42/15/11/455421511.db2.gz DVAWHFXVBYNVNO-PXNSSMCTSA-N 2 0 341.499 3.461 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1csc(Cl)c1)N1CC[NH+](C)CC1 ZINC000191158072 455454362 /nfs/dbraw/zinc/45/43/62/455454362.db2.gz LOTUWGDNIIZUGC-ZFWWWQNUSA-N 2 0 329.941 3.324 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246269534 455461137 /nfs/dbraw/zinc/46/11/37/455461137.db2.gz UXSFNEGOCQWCJH-BBRMVZONSA-N 2 0 330.394 3.448 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000246275340 455462888 /nfs/dbraw/zinc/46/28/88/455462888.db2.gz MDBROHLIDFPDPC-RDGPPVDQSA-N 2 0 337.552 3.158 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000246320426 455471286 /nfs/dbraw/zinc/47/12/86/455471286.db2.gz FIEDFRFFGQTYRJ-DOTOQJQBSA-N 2 0 344.528 3.458 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000246832482 455528249 /nfs/dbraw/zinc/52/82/49/455528249.db2.gz BTIOXDBXXIVDKI-RMVXJAJNSA-N 2 0 331.548 3.258 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)[C@@H](C)C1 ZINC000246839161 455529191 /nfs/dbraw/zinc/52/91/91/455529191.db2.gz CBFMXLIUIHETSC-WCQYABFASA-N 2 0 331.323 3.373 20 0 EGADRP COCCC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000185287553 455534558 /nfs/dbraw/zinc/53/45/58/455534558.db2.gz WENVDUYFCGQGAD-UHFFFAOYSA-N 2 0 347.547 3.369 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000182586328 455547459 /nfs/dbraw/zinc/54/74/59/455547459.db2.gz ZRFLYCXZOOCKTO-GOSISDBHSA-N 2 0 326.488 3.164 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182605993 455551626 /nfs/dbraw/zinc/55/16/26/455551626.db2.gz NKJMXUYCIIBREV-LJQANCHMSA-N 2 0 326.488 3.373 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000182780691 455585669 /nfs/dbraw/zinc/58/56/69/455585669.db2.gz OLAVRQUPANAIRC-NRFANRHFSA-N 2 0 332.532 3.424 20 0 EGADRP C[C@@H](NCC(=O)N(C)CC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682388 455595735 /nfs/dbraw/zinc/59/57/35/455595735.db2.gz KHWQMJZYJJBVEZ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000283859824 455605757 /nfs/dbraw/zinc/60/57/57/455605757.db2.gz CGPUYNKOZXGNQY-INIZCTEOSA-N 2 0 325.456 3.405 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1Cl)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247529041 455619330 /nfs/dbraw/zinc/61/93/30/455619330.db2.gz OCAZMIYSZDBLLF-LSDHHAIUSA-N 2 0 337.895 3.473 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CC2 ZINC000271450945 455641676 /nfs/dbraw/zinc/64/16/76/455641676.db2.gz DPMJEPFJLZTFGB-QHAWAJNXSA-N 2 0 328.500 3.340 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C=Cc2c[nH]cn2)c1 ZINC000284270264 455660553 /nfs/dbraw/zinc/66/05/53/455660553.db2.gz DUUODXFXPJIEGE-MDZDMXLPSA-N 2 0 340.471 3.361 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000284365200 455673781 /nfs/dbraw/zinc/67/37/81/455673781.db2.gz NJIZUKXDJMCONH-FQEVSTJZSA-N 2 0 342.487 3.134 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000271563703 455685957 /nfs/dbraw/zinc/68/59/57/455685957.db2.gz YEECFEHULNNHDF-GOEBONIOSA-N 2 0 330.501 3.068 20 0 EGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635137846 460685972 /nfs/dbraw/zinc/68/59/72/460685972.db2.gz DDOOHXCEHVWUTI-DLBZAZTESA-N 2 0 347.528 3.018 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)CC1 ZINC000192800712 455696291 /nfs/dbraw/zinc/69/62/91/455696291.db2.gz FDSNUSBKMFBJHA-QFIPXVFZSA-N 2 0 343.559 3.500 20 0 EGADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000248200499 455698093 /nfs/dbraw/zinc/69/80/93/455698093.db2.gz YNJHYJAIPULZOI-MAUKXSAKSA-N 2 0 326.431 3.242 20 0 EGADRP CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269014197 455763518 /nfs/dbraw/zinc/76/35/18/455763518.db2.gz YCPHFEGFLKDMCC-ZWKOTPCHSA-N 2 0 336.520 3.322 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000271840878 455782644 /nfs/dbraw/zinc/78/26/44/455782644.db2.gz GQNXTOSXIMBMLR-LPHOPBHVSA-N 2 0 334.504 3.075 20 0 EGADRP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1C ZINC000194019300 455792482 /nfs/dbraw/zinc/79/24/82/455792482.db2.gz HYBYPEOAQCHAPY-UHFFFAOYSA-N 2 0 332.488 3.080 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000194260366 455820398 /nfs/dbraw/zinc/82/03/98/455820398.db2.gz NBJPPTGYTSRHRU-SFHVURJKSA-N 2 0 349.544 3.122 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1 ZINC000194533535 455854732 /nfs/dbraw/zinc/85/47/32/455854732.db2.gz WIMWUEDURYSITL-COPCDDAFSA-N 2 0 338.495 3.405 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000186999309 455861194 /nfs/dbraw/zinc/86/11/94/455861194.db2.gz IXWZTGDSPIJNMJ-NRFANRHFSA-N 2 0 329.532 3.453 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000285551407 455867655 /nfs/dbraw/zinc/86/76/55/455867655.db2.gz UPWDBWOCIPLHJM-KRWDZBQOSA-N 2 0 326.488 3.393 20 0 EGADRP CCOC[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000255519240 455869532 /nfs/dbraw/zinc/86/95/32/455869532.db2.gz OWHUOWDCJWXLDS-GGJLBNBESA-N 2 0 338.536 3.040 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000261605138 455910869 /nfs/dbraw/zinc/91/08/69/455910869.db2.gz AEFAIUQPSDQPQH-TZMCWYRMSA-N 2 0 328.403 3.103 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Br)c4cccnc34)C[C@H]12 ZINC000261612661 455913163 /nfs/dbraw/zinc/91/31/63/455913163.db2.gz FEAGHVSYXSZCDQ-HZUKXOBISA-N 2 0 346.272 3.166 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2ccccc2C)c1 ZINC000296361832 455918795 /nfs/dbraw/zinc/91/87/95/455918795.db2.gz JNUFJHIEGSAIFK-FQEVSTJZSA-N 2 0 339.483 3.153 20 0 EGADRP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272378432 455931491 /nfs/dbraw/zinc/93/14/91/455931491.db2.gz BMOLYBYCHXWUQB-YJBOKZPZSA-N 2 0 329.513 3.494 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000261737794 455938477 /nfs/dbraw/zinc/93/84/77/455938477.db2.gz NRNAFBYTXRIJRB-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP C[C@]1(C[NH3+])CCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000261757334 455941865 /nfs/dbraw/zinc/94/18/65/455941865.db2.gz QRYAKDGXKATTAJ-LJQANCHMSA-N 2 0 345.874 3.485 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000280308928 455944219 /nfs/dbraw/zinc/94/42/19/455944219.db2.gz PKIJOMRDWVWWHW-YOEHRIQHSA-N 2 0 344.421 3.490 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2)C1 ZINC000261783511 455947288 /nfs/dbraw/zinc/94/72/88/455947288.db2.gz BKYQNIFURYIIRM-SJORKVTESA-N 2 0 329.488 3.247 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261855870 455959524 /nfs/dbraw/zinc/95/95/24/455959524.db2.gz NWHHDADVVZXYSC-ROUUACIJSA-N 2 0 343.515 3.067 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1)C(C)C ZINC000261872394 455962472 /nfs/dbraw/zinc/96/24/72/455962472.db2.gz SNFXUVZULIODGR-QFBILLFUSA-N 2 0 331.504 3.116 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CC[C@@H]2CC[NH2+]C2)CCCC1)c1ccccc1 ZINC000261917007 455971198 /nfs/dbraw/zinc/97/11/98/455971198.db2.gz XDQCASGWNAQGOE-QZTJIDSGSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272502914 455972545 /nfs/dbraw/zinc/97/25/45/455972545.db2.gz LNFFQACZUNRIMI-QWFCFKBJSA-N 2 0 326.488 3.162 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261983538 455981018 /nfs/dbraw/zinc/98/10/18/455981018.db2.gz RPAIZEHKFLRPFI-YPMHNXCESA-N 2 0 338.377 3.265 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000261988591 455982484 /nfs/dbraw/zinc/98/24/84/455982484.db2.gz LBCWXFWTYLAEMN-INIZCTEOSA-N 2 0 331.504 3.459 20 0 EGADRP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000280922075 456083284 /nfs/dbraw/zinc/08/32/84/456083284.db2.gz GLQUDPVAYKNCBY-NJDAHSKKSA-N 2 0 344.499 3.127 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263258853 456116531 /nfs/dbraw/zinc/11/65/31/456116531.db2.gz QSWBEJZHGXWGRS-ICSRJNTNSA-N 2 0 331.504 3.051 20 0 EGADRP Cc1nccn1CCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272933519 456116907 /nfs/dbraw/zinc/11/69/07/456116907.db2.gz KGBOSPRNDQKMIS-INIZCTEOSA-N 2 0 339.361 3.284 20 0 EGADRP CC(C)(C)CC[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236606672 456158523 /nfs/dbraw/zinc/15/85/23/456158523.db2.gz JZKSXXJPYJOHDU-SFHVURJKSA-N 2 0 331.504 3.047 20 0 EGADRP c1cn(CC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)cn1 ZINC000236671307 456165454 /nfs/dbraw/zinc/16/54/54/456165454.db2.gz NVVXLHGJBJUQGL-UHFFFAOYSA-N 2 0 335.455 3.211 20 0 EGADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236727919 456176232 /nfs/dbraw/zinc/17/62/32/456176232.db2.gz KRIYSVITWOBDQC-QFBILLFUSA-N 2 0 331.504 3.051 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236757427 456180936 /nfs/dbraw/zinc/18/09/36/456180936.db2.gz DXZXCKBYXBXTPX-IAGOWNOFSA-N 2 0 337.895 3.111 20 0 EGADRP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1F ZINC000271227573 456183022 /nfs/dbraw/zinc/18/30/22/456183022.db2.gz RZUBYUFKNKTQPD-UHFFFAOYSA-N 2 0 333.495 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC1([NH3+])CCC1)c1ccccc1Cl ZINC000236820094 456188830 /nfs/dbraw/zinc/18/88/30/456188830.db2.gz FOLZQFGOEBKTTQ-INIZCTEOSA-N 2 0 337.895 3.111 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC1([NH3+])CCC1)c1ccccc1Cl ZINC000236874615 456196231 /nfs/dbraw/zinc/19/62/31/456196231.db2.gz FOLZQFGOEBKTTQ-MRXNPFEDSA-N 2 0 337.895 3.111 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189033475 456205174 /nfs/dbraw/zinc/20/51/74/456205174.db2.gz GTTRRYXTNYNRRT-FPOVZHCZSA-N 2 0 329.532 3.013 20 0 EGADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000237018414 456219544 /nfs/dbraw/zinc/21/95/44/456219544.db2.gz BDLMDROXOVTYIN-CXAGYDPISA-N 2 0 346.500 3.087 20 0 EGADRP Cc1nc2c(c(NCC3CCN(c4cc[nH+]cc4)CC3)n1)CCCC2 ZINC000302061956 456278167 /nfs/dbraw/zinc/27/81/67/456278167.db2.gz BWKNSGGHUWSZLH-UHFFFAOYSA-N 2 0 337.471 3.387 20 0 EGADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCC2CCOCC2)CC1 ZINC000297718751 456279223 /nfs/dbraw/zinc/27/92/23/456279223.db2.gz RRLGUCJSTLSKNT-UHFFFAOYSA-N 2 0 325.456 3.174 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290289005 456280853 /nfs/dbraw/zinc/28/08/53/456280853.db2.gz ADWRYUMTPIUJAR-HXUWFJFHSA-N 2 0 346.515 3.266 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](CCOC(C)C)CC2)c1C ZINC000302097817 456285758 /nfs/dbraw/zinc/28/57/58/456285758.db2.gz SYNHPCARZSPJBT-UHFFFAOYSA-N 2 0 327.472 3.399 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347683149 456303342 /nfs/dbraw/zinc/30/33/42/456303342.db2.gz QBIMSMVCPAHNNS-NRFANRHFSA-N 2 0 330.516 3.308 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000340201027 456311985 /nfs/dbraw/zinc/31/19/85/456311985.db2.gz IGPIBHOPCRQGJG-AEFFLSMTSA-N 2 0 336.520 3.495 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc[nH+]cc2C(N)=O)cc1 ZINC000302214320 456319209 /nfs/dbraw/zinc/31/92/09/456319209.db2.gz IJCZXQBBSNWTSA-OAHLLOKOSA-N 2 0 338.455 3.167 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNc2cc[nH+]cc2C(N)=O)CC1 ZINC000302238325 456325820 /nfs/dbraw/zinc/32/58/20/456325820.db2.gz WRGDREDFGAHUDJ-UHFFFAOYSA-N 2 0 338.455 3.025 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352811119 456328333 /nfs/dbraw/zinc/32/83/33/456328333.db2.gz QSMIRDBBAWOPEZ-UHFFFAOYSA-N 2 0 336.423 3.092 20 0 EGADRP CN1CC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000340235863 456330358 /nfs/dbraw/zinc/33/03/58/456330358.db2.gz NQYCYRCTJMFGRL-FPOVZHCZSA-N 2 0 347.466 3.192 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]c(C)c3)C2)cc(OC)c1 ZINC000302586830 456362972 /nfs/dbraw/zinc/36/29/72/456362972.db2.gz UXIQXTILUFVHOU-QGZVFWFLSA-N 2 0 327.428 3.094 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000347810604 456380250 /nfs/dbraw/zinc/38/02/50/456380250.db2.gz BARDOJIFTIZVAO-ICSRJNTNSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298229737 456398039 /nfs/dbraw/zinc/39/80/39/456398039.db2.gz BDJLJMWLEUMTNG-ROUUACIJSA-N 3 0 330.520 3.008 20 0 EGADRP FC(F)(F)c1ccc(OCC[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000298263042 456408860 /nfs/dbraw/zinc/40/88/60/456408860.db2.gz FWBWHKKZDYCDSE-UHFFFAOYSA-N 2 0 328.378 3.301 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cc[nH]c(=O)c1 ZINC000340448853 456468581 /nfs/dbraw/zinc/46/85/81/456468581.db2.gz PVKNWYHPLGGOMZ-YGWPLHOASA-N 2 0 337.467 3.348 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NCc1ccccc1N1CC[NH+](CC)CC1 ZINC000353074531 456473649 /nfs/dbraw/zinc/47/36/49/456473649.db2.gz UICVRBJMALFEJQ-LJQANCHMSA-N 2 0 346.563 3.039 20 0 EGADRP CCOc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000298576043 456493446 /nfs/dbraw/zinc/49/34/46/456493446.db2.gz XJZSDZJRPMGMQS-UHFFFAOYSA-N 2 0 341.455 3.248 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000340505390 456498449 /nfs/dbraw/zinc/49/84/49/456498449.db2.gz NDPIAGBYIBFLQC-UHFFFAOYSA-N 2 0 333.520 3.188 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000298621925 456502051 /nfs/dbraw/zinc/50/20/51/456502051.db2.gz PFIWOURJAIJSTQ-BBWFWOEESA-N 2 0 347.503 3.135 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(Br)s2)CC[NH+](C)CC1 ZINC000353209818 456562706 /nfs/dbraw/zinc/56/27/06/456562706.db2.gz KXZXYFLBWLNGMZ-UHFFFAOYSA-N 2 0 349.363 3.428 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000291152241 456545842 /nfs/dbraw/zinc/54/58/42/456545842.db2.gz IMJWNXJHUWPIKD-FQEVSTJZSA-N 2 0 340.467 3.500 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccnn1CCCOC ZINC000282640597 456578678 /nfs/dbraw/zinc/57/86/78/456578678.db2.gz LEEUDJCBTFBSLV-UHFFFAOYSA-N 2 0 344.503 3.051 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000282850282 456644973 /nfs/dbraw/zinc/64/49/73/456644973.db2.gz BEZRUNLKPSCRAV-IFMALSPDSA-N 2 0 343.559 3.356 20 0 EGADRP CCn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000291461804 456650729 /nfs/dbraw/zinc/65/07/29/456650729.db2.gz NRMMLXPZNJBORR-UHFFFAOYSA-N 2 0 338.499 3.391 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000299367164 456671420 /nfs/dbraw/zinc/67/14/20/456671420.db2.gz KBTCNPKRIOCNPX-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000343522829 456681180 /nfs/dbraw/zinc/68/11/80/456681180.db2.gz KLLQRRPVZCDBJK-YLJYHZDGSA-N 2 0 343.515 3.030 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000299431808 456691529 /nfs/dbraw/zinc/69/15/29/456691529.db2.gz LUOGMKUPFYDELM-FQEVSTJZSA-N 2 0 337.467 3.351 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000338195561 456698001 /nfs/dbraw/zinc/69/80/01/456698001.db2.gz ZRGDYIYIPQXCSX-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccccc1-n1ccnn1 ZINC000353437926 456698539 /nfs/dbraw/zinc/69/85/39/456698539.db2.gz SLEZGLOBGIXPMT-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)C[C@H](C)O1 ZINC000338202332 456702965 /nfs/dbraw/zinc/70/29/65/456702965.db2.gz ZNUHOAOVTJMYBB-QWQRMKEZSA-N 2 0 338.442 3.431 20 0 EGADRP C[NH+](C)[C@H]1CCCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171223 456706772 /nfs/dbraw/zinc/70/67/72/456706772.db2.gz KSSWGCPRCMBBFQ-PMACEKPBSA-N 2 0 343.515 3.156 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543246 456747154 /nfs/dbraw/zinc/74/71/54/456747154.db2.gz AZVLUJYRLNUFNF-WMZOPIPTSA-N 2 0 332.488 3.218 20 0 EGADRP C[C@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)C[NH+](C)C ZINC000291766423 456751408 /nfs/dbraw/zinc/75/14/08/456751408.db2.gz SFOQZRAONJXMKG-GFCCVEGCSA-N 2 0 339.277 3.012 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000338294854 456752622 /nfs/dbraw/zinc/75/26/22/456752622.db2.gz GCZLHKUFMICFDL-QGZVFWFLSA-N 2 0 343.506 3.161 20 0 EGADRP FC1(F)CCC[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000338306573 456762999 /nfs/dbraw/zinc/76/29/99/456762999.db2.gz MKAVVPXKBSYJOU-MRXNPFEDSA-N 2 0 330.463 3.389 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000348671540 456809012 /nfs/dbraw/zinc/80/90/12/456809012.db2.gz XKGBSLYSKUCZML-YLJYHZDGSA-N 2 0 345.531 3.263 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000348671531 456809616 /nfs/dbraw/zinc/80/96/16/456809616.db2.gz XKGBSLYSKUCZML-PXNSSMCTSA-N 2 0 345.531 3.263 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000338435602 456818952 /nfs/dbraw/zinc/81/89/52/456818952.db2.gz KPXFINZUTNLHLK-QGZVFWFLSA-N 2 0 326.488 3.217 20 0 EGADRP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)c1 ZINC000301237666 456829126 /nfs/dbraw/zinc/82/91/26/456829126.db2.gz DWLRLWDNLYGGAU-UHFFFAOYSA-N 2 0 338.386 3.104 20 0 EGADRP CCCN(CCC[NH+](C)C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000349387512 456960646 /nfs/dbraw/zinc/96/06/46/456960646.db2.gz WASDHHWETPVYQJ-UHFFFAOYSA-N 2 0 326.868 3.275 20 0 EGADRP CC[C@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000339260929 457024725 /nfs/dbraw/zinc/02/47/25/457024725.db2.gz OBWGEBKSOAMOAQ-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000339260930 457024821 /nfs/dbraw/zinc/02/48/21/457024821.db2.gz OBWGEBKSOAMOAQ-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000349881064 457091818 /nfs/dbraw/zinc/09/18/18/457091818.db2.gz LHVWOZNCEPWKEF-UYAOXDASSA-N 2 0 340.552 3.139 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000356640613 457096518 /nfs/dbraw/zinc/09/65/18/457096518.db2.gz HXXJXXFYEPHEPE-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426533 457110392 /nfs/dbraw/zinc/11/03/92/457110392.db2.gz NULZWIKZCBYUQS-FGZHOGPDSA-N 2 0 338.495 3.161 20 0 EGADRP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000359676304 457110798 /nfs/dbraw/zinc/11/07/98/457110798.db2.gz KUMTWFVCBIOJHM-AWEZNQCLSA-N 2 0 344.425 3.044 20 0 EGADRP Cc1ccccc1Cc1nnc(CN2CCC[C@@H](c3ncc[nH]3)C2)o1 ZINC000362828330 457112320 /nfs/dbraw/zinc/11/23/20/457112320.db2.gz DVWISNHYFWYRKM-MRXNPFEDSA-N 2 0 337.427 3.072 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCn1c2ccccc2nc1C1CC1 ZINC000356780439 457164636 /nfs/dbraw/zinc/16/46/36/457164636.db2.gz OVHLHOKFXCXGFL-HNNXBMFYSA-N 2 0 342.487 3.149 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)CC3 ZINC000346808338 457177395 /nfs/dbraw/zinc/17/73/95/457177395.db2.gz NQYTXADSRLNQGP-HBUWYVDXSA-N 2 0 327.472 3.106 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000354323246 457185252 /nfs/dbraw/zinc/18/52/52/457185252.db2.gz BGKWVUADICWPDD-SCTDSRPQSA-N 2 0 330.520 3.138 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000354382104 457189297 /nfs/dbraw/zinc/18/92/97/457189297.db2.gz CNSIKYZTPBMERM-ICSRJNTNSA-N 2 0 345.531 3.276 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347062636 457211022 /nfs/dbraw/zinc/21/10/22/457211022.db2.gz ZZSJQLSJONHQLP-OXJNMPFZSA-N 2 0 340.515 3.416 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCSC2)CC1 ZINC000342284568 457212159 /nfs/dbraw/zinc/21/21/59/457212159.db2.gz IIEGWURXUBLZMB-QGZVFWFLSA-N 2 0 333.545 3.061 20 0 EGADRP C(C[NH+]1CCCC1)OC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000342309457 457229482 /nfs/dbraw/zinc/22/94/82/457229482.db2.gz YPBKDBOLKCPWTD-UHFFFAOYSA-N 2 0 338.536 3.303 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000347158761 457261520 /nfs/dbraw/zinc/26/15/20/457261520.db2.gz FGGPNXNGKUIBJK-HNNXBMFYSA-N 2 0 326.488 3.107 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1OC(C)C ZINC000357043561 457294171 /nfs/dbraw/zinc/29/41/71/457294171.db2.gz GOFFGAUJLOFGNV-KRWDZBQOSA-N 2 0 332.488 3.304 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000357050481 457298459 /nfs/dbraw/zinc/29/84/59/457298459.db2.gz AHHBCALDMKAUIH-GOSISDBHSA-N 2 0 345.531 3.010 20 0 EGADRP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000357106612 457325817 /nfs/dbraw/zinc/32/58/17/457325817.db2.gz DBIXDSNHWIAKIB-ZRSRNVLSSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000378249660 457384810 /nfs/dbraw/zinc/38/48/10/457384810.db2.gz YAZNQENQYBATQZ-UZLBHIALSA-N 2 0 347.934 3.428 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000347381379 457390715 /nfs/dbraw/zinc/39/07/15/457390715.db2.gz ROJBRDNFCQAFGJ-IBGZPJMESA-N 2 0 333.520 3.305 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000352505205 457423565 /nfs/dbraw/zinc/42/35/65/457423565.db2.gz YWFGVKHVRNVPQU-IBGZPJMESA-N 2 0 329.488 3.016 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000352503990 457423614 /nfs/dbraw/zinc/42/36/14/457423614.db2.gz LYSVOVAKXQJDDK-LJQANCHMSA-N 2 0 325.456 3.364 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1 ZINC000357291456 457423939 /nfs/dbraw/zinc/42/39/39/457423939.db2.gz DTMMMCCJSWWRLP-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000347461532 457444225 /nfs/dbraw/zinc/44/42/25/457444225.db2.gz VZVQONMQWSNETM-APWZRJJASA-N 2 0 331.504 3.195 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360943237 457450868 /nfs/dbraw/zinc/45/08/68/457450868.db2.gz SKQGDHMABGDZRV-LJQANCHMSA-N 2 0 338.499 3.253 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000425232696 457466707 /nfs/dbraw/zinc/46/67/07/457466707.db2.gz FPICVQIGZVAZJE-XLIONFOSSA-N 2 0 345.531 3.086 20 0 EGADRP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347529624 457487701 /nfs/dbraw/zinc/48/77/01/457487701.db2.gz NEYHFTRRMZUBKE-OAQYLSRUSA-N 2 0 349.478 3.026 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000357409135 457503715 /nfs/dbraw/zinc/50/37/15/457503715.db2.gz HOPOBWRZZVGGJN-LPHOPBHVSA-N 2 0 331.504 3.131 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[NH+]2CCCC2)cc1 ZINC000347561292 457509296 /nfs/dbraw/zinc/50/92/96/457509296.db2.gz SRXHCRXAJXIVLP-OAQYLSRUSA-N 2 0 349.478 3.165 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779061 457519047 /nfs/dbraw/zinc/51/90/47/457519047.db2.gz NPUAAVVTFQUQBO-LPHOPBHVSA-N 2 0 338.499 3.384 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1OC(F)F ZINC000404444552 457543668 /nfs/dbraw/zinc/54/36/68/457543668.db2.gz WUPXXUTVHYMPIY-GXTWGEPZSA-N 2 0 328.403 3.246 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356423258 457618956 /nfs/dbraw/zinc/61/89/56/457618956.db2.gz KTOJTRAYEWXPHR-FXAWDEMLSA-N 2 0 343.515 3.085 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000357640679 457636418 /nfs/dbraw/zinc/63/64/18/457636418.db2.gz GBJJJMXLFYBYEU-AOCRQIFASA-N 2 0 337.552 3.312 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000410367889 457639225 /nfs/dbraw/zinc/63/92/25/457639225.db2.gz LPMNIGUPHQMYRQ-HXUWFJFHSA-N 2 0 331.548 3.418 20 0 EGADRP Cc1cc(F)ccc1CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425918200 457651294 /nfs/dbraw/zinc/65/12/94/457651294.db2.gz DNRQHVJUYAGUMH-OAQYLSRUSA-N 2 0 342.458 3.203 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000370631065 457686356 /nfs/dbraw/zinc/68/63/56/457686356.db2.gz ZVFSZLMQQVRINL-SFTDATJTSA-N 2 0 329.532 3.248 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000370631061 457686492 /nfs/dbraw/zinc/68/64/92/457686492.db2.gz ZVFSZLMQQVRINL-LEWJYISDSA-N 2 0 329.532 3.248 20 0 EGADRP COCC1(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000361324081 457692765 /nfs/dbraw/zinc/69/27/65/457692765.db2.gz LKSUMDMFPMJGBZ-ROUUACIJSA-N 2 0 338.536 3.014 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370670590 457696522 /nfs/dbraw/zinc/69/65/22/457696522.db2.gz FDXJUYUYLSBZDX-RYQLBKOJSA-N 2 0 329.488 3.183 20 0 EGADRP C[NH+](C)CC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000358015963 457740452 /nfs/dbraw/zinc/74/04/52/457740452.db2.gz QYWSJDRBDKXURK-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000358026543 457744142 /nfs/dbraw/zinc/74/41/42/457744142.db2.gz QLTPVMDYDQXXMK-PXNSSMCTSA-N 2 0 331.504 3.231 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2c1 ZINC000411172077 457820916 /nfs/dbraw/zinc/82/09/16/457820916.db2.gz KKBCHTLLWMCKNG-UHFFFAOYSA-N 2 0 339.483 3.087 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358155851 457821896 /nfs/dbraw/zinc/82/18/96/457821896.db2.gz PEPMHAWFWRXNBO-UMVBOHGHSA-N 2 0 336.430 3.292 20 0 EGADRP COCCOC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411291905 457850767 /nfs/dbraw/zinc/85/07/67/457850767.db2.gz JQTSUKBSYRCHPQ-OAQYLSRUSA-N 2 0 346.515 3.157 20 0 EGADRP OC1(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000411334800 457859070 /nfs/dbraw/zinc/85/90/70/457859070.db2.gz ZHIANYCGVVQREU-VQTJNVASSA-N 2 0 328.500 3.278 20 0 EGADRP CC(C)C[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411442663 457890094 /nfs/dbraw/zinc/89/00/94/457890094.db2.gz WYRMLAHZAHBGPL-FQEVSTJZSA-N 2 0 345.531 3.352 20 0 EGADRP CCC(CC)[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000411444385 457890268 /nfs/dbraw/zinc/89/02/68/457890268.db2.gz DQAXNAVBRQFSSX-OAQYLSRUSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1cncs1 ZINC000411545907 457916510 /nfs/dbraw/zinc/91/65/10/457916510.db2.gz YPRFXOVOJUESRZ-MNZLEMJZSA-N 2 0 329.513 3.432 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000458134052 457941841 /nfs/dbraw/zinc/94/18/41/457941841.db2.gz HRUSJVNKKMBMQI-UHFFFAOYSA-N 2 0 348.535 3.058 20 0 EGADRP Cc1cccc(NCC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000358383500 457968555 /nfs/dbraw/zinc/96/85/55/457968555.db2.gz PDMROZWSUKTKEV-KRWDZBQOSA-N 2 0 342.487 3.093 20 0 EGADRP CCC(C)(C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000358425967 457997415 /nfs/dbraw/zinc/99/74/15/457997415.db2.gz LBDQWDLRDHTFNP-UHFFFAOYSA-N 2 0 345.531 3.150 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cs2)c1 ZINC000358504179 458043661 /nfs/dbraw/zinc/04/36/61/458043661.db2.gz HNECAUPGYCDOCL-UHFFFAOYSA-N 2 0 343.496 3.394 20 0 EGADRP O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]2C1 ZINC000412040678 458060318 /nfs/dbraw/zinc/06/03/18/458060318.db2.gz ISWSHXCTRMOODA-PWRODBHTSA-N 2 0 328.500 3.265 20 0 EGADRP Cc1nnc([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC000412050019 458068678 /nfs/dbraw/zinc/06/86/78/458068678.db2.gz ZZQXYMYIVBKKQJ-IBGZPJMESA-N 2 0 339.487 3.089 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371834268 458091443 /nfs/dbraw/zinc/09/14/43/458091443.db2.gz IKJIORRZZXWZTP-HXUWFJFHSA-N 2 0 329.532 3.487 20 0 EGADRP CCc1nc(C)c(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000428218540 458100183 /nfs/dbraw/zinc/10/01/83/458100183.db2.gz BVVBQZFVBDZXKW-IYBDPMFKSA-N 2 0 349.519 3.257 20 0 EGADRP C[C@@H]1C[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000369184136 458116289 /nfs/dbraw/zinc/11/62/89/458116289.db2.gz PKJKTDZGXOHZSR-SLYNCCJLSA-N 2 0 327.516 3.113 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cc2)cs1 ZINC000435370534 458122678 /nfs/dbraw/zinc/12/26/78/458122678.db2.gz JFKMESWJSMOTRJ-CJNGLKHVSA-N 2 0 331.485 3.200 20 0 EGADRP C[C@H](CC1CCOCC1)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435390416 458134436 /nfs/dbraw/zinc/13/44/36/458134436.db2.gz PBIWCKZHXMIGTM-NQIIRXRSSA-N 2 0 345.531 3.479 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362389565 458145775 /nfs/dbraw/zinc/14/57/75/458145775.db2.gz AATWKXOKOANKBE-MRXNPFEDSA-N 2 0 335.467 3.126 20 0 EGADRP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435447266 458149695 /nfs/dbraw/zinc/14/96/95/458149695.db2.gz OKDLGNYGAUCVTJ-IBGZPJMESA-N 2 0 325.456 3.235 20 0 EGADRP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000458762214 458163264 /nfs/dbraw/zinc/16/32/64/458163264.db2.gz HYFNDMHPHARKNN-SJLPKXTDSA-N 2 0 348.535 3.097 20 0 EGADRP CCCCN(CC)C(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362428819 458169659 /nfs/dbraw/zinc/16/96/59/458169659.db2.gz DMMKQIVFEVFVMJ-FQEVSTJZSA-N 2 0 345.531 3.089 20 0 EGADRP CCN(CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435626058 458176377 /nfs/dbraw/zinc/17/63/77/458176377.db2.gz NIPVQOWIAOPJAO-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CCN(CC(=O)Nc1ccccc1C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435628079 458176698 /nfs/dbraw/zinc/17/66/98/458176698.db2.gz PIJAYFWPGMFYHF-MRXNPFEDSA-N 2 0 331.504 3.387 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCCCC1 ZINC000358734032 458177871 /nfs/dbraw/zinc/17/78/71/458177871.db2.gz AUUCPIHKKFGOLX-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000435726786 458191833 /nfs/dbraw/zinc/19/18/33/458191833.db2.gz SBIAYALFMOTQJD-QGZVFWFLSA-N 2 0 326.444 3.190 20 0 EGADRP COC[C@@H]1CCCC[NH+](C/C=C/C[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000372109658 458197834 /nfs/dbraw/zinc/19/78/34/458197834.db2.gz UUWMDEHGOFWGFV-SCSYBTMDSA-N 2 0 338.536 3.040 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446565002 458198008 /nfs/dbraw/zinc/19/80/08/458198008.db2.gz MOHJRKDIOKEQCS-KRWDZBQOSA-N 2 0 346.519 3.177 20 0 EGADRP CCOC1(C)CC[NH+](CC(C)C[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000428745908 458204410 /nfs/dbraw/zinc/20/44/10/458204410.db2.gz GDIRPMXIHRSZDF-UHFFFAOYSA-N 2 0 340.552 3.405 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C(C)C)[C@@H](C)c2ccccc2)CC1 ZINC000428862743 458224164 /nfs/dbraw/zinc/22/41/64/458224164.db2.gz OPBFXSLOZHDITB-KRWDZBQOSA-N 2 0 331.504 3.059 20 0 EGADRP COc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)ccc1C ZINC000446758584 458225418 /nfs/dbraw/zinc/22/54/18/458225418.db2.gz JYRHJQYZLYIJJP-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP COC1(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428872895 458226303 /nfs/dbraw/zinc/22/63/03/458226303.db2.gz SZJPKGYUAHMMNF-QUCCMNQESA-N 2 0 346.515 3.072 20 0 EGADRP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)CC[C@H]1CCCC[NH+]1C ZINC000429053321 458267215 /nfs/dbraw/zinc/26/72/15/458267215.db2.gz KJRIYHJZKGBGFP-QGZVFWFLSA-N 2 0 337.895 3.475 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000436290063 458284050 /nfs/dbraw/zinc/28/40/50/458284050.db2.gz YNFBXAFHJZRTPK-YLJYHZDGSA-N 2 0 329.532 3.316 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1 ZINC000429189684 458290299 /nfs/dbraw/zinc/29/02/99/458290299.db2.gz LDSYEBBLRLPGMM-HXUWFJFHSA-N 2 0 333.520 3.412 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429421000 458331931 /nfs/dbraw/zinc/33/19/31/458331931.db2.gz DSEIEFSXFNBCJH-QUCCMNQESA-N 2 0 334.479 3.144 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000429494687 458337567 /nfs/dbraw/zinc/33/75/67/458337567.db2.gz RSKNONCXIKUHKG-JXFKEZNVSA-N 2 0 339.483 3.406 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)CC2)c1 ZINC000429541237 458342912 /nfs/dbraw/zinc/34/29/12/458342912.db2.gz VOMGIWBKEJRFTL-IBGZPJMESA-N 2 0 346.515 3.408 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459370021 458346864 /nfs/dbraw/zinc/34/68/64/458346864.db2.gz GSHREAZYPRYFLW-INIZCTEOSA-N 2 0 343.862 3.359 20 0 EGADRP COC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000459422814 458365933 /nfs/dbraw/zinc/36/59/33/458365933.db2.gz OBQWRAYJLRIMHJ-IBGZPJMESA-N 2 0 329.419 3.167 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459435647 458369708 /nfs/dbraw/zinc/36/97/08/458369708.db2.gz WPFNYPZLBHXOLO-UHFFFAOYSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000448033645 458383121 /nfs/dbraw/zinc/38/31/21/458383121.db2.gz YTIVWAWPAZKTMX-PXNSSMCTSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000430111569 458403481 /nfs/dbraw/zinc/40/34/81/458403481.db2.gz SBLWWSAVNQPGQD-RBUKOAKNSA-N 2 0 349.469 3.306 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000459554434 458409067 /nfs/dbraw/zinc/40/90/67/458409067.db2.gz CTIXFNXULYRFHT-UHFFFAOYSA-N 2 0 327.516 3.023 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459562511 458412008 /nfs/dbraw/zinc/41/20/08/458412008.db2.gz QFNOJJXRBWSQGQ-SFHVURJKSA-N 2 0 333.520 3.075 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCCC2 ZINC000430235968 458426606 /nfs/dbraw/zinc/42/66/06/458426606.db2.gz GBKOXVLQRLPXEU-HKBOAZHASA-N 2 0 328.500 3.249 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105820 458427504 /nfs/dbraw/zinc/42/75/04/458427504.db2.gz FGDNAVVRQAFSPP-PWRODBHTSA-N 2 0 341.543 3.361 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@H](C)C1 ZINC000423435926 458432334 /nfs/dbraw/zinc/43/23/34/458432334.db2.gz DYCZMMMFWQUPBD-XLIONFOSSA-N 2 0 345.531 3.271 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423451021 458434725 /nfs/dbraw/zinc/43/47/25/458434725.db2.gz UIOCWWCHRGHWBA-IFMALSPDSA-N 2 0 349.478 3.390 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423451024 458435055 /nfs/dbraw/zinc/43/50/55/458435055.db2.gz UIOCWWCHRGHWBA-UNMCSNQZSA-N 2 0 349.478 3.390 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423461235 458436713 /nfs/dbraw/zinc/43/67/13/458436713.db2.gz NSXNSOGPGUZSCA-NOLJZWGESA-N 2 0 347.894 3.397 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423476821 458438242 /nfs/dbraw/zinc/43/82/42/458438242.db2.gz RSYXPTRPLPSJFY-MJBXVCDLSA-N 2 0 333.867 3.089 20 0 EGADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000423526419 458450839 /nfs/dbraw/zinc/45/08/39/458450839.db2.gz ZHLROHPHTXHNMR-UZLBHIALSA-N 2 0 335.455 3.398 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1OC(F)F ZINC000423539404 458455063 /nfs/dbraw/zinc/45/50/63/458455063.db2.gz IGASPCLBAUWWDG-CIQGVGRVSA-N 2 0 328.378 3.466 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430555360 458460828 /nfs/dbraw/zinc/46/08/28/458460828.db2.gz IJNOEOFINOHTQF-UHFFFAOYSA-N 2 0 349.862 3.325 20 0 EGADRP C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000430617772 458472123 /nfs/dbraw/zinc/47/21/23/458472123.db2.gz OWAOEYXPPPBFNY-ULQDDVLXSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423735868 458477929 /nfs/dbraw/zinc/47/79/29/458477929.db2.gz XPTGARWVUPHGSB-LFDJNIOPSA-N 2 0 335.536 3.148 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000430912445 458503767 /nfs/dbraw/zinc/50/37/67/458503767.db2.gz LKPNLYCFHFGQKK-UHFFFAOYSA-N 2 0 344.547 3.018 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430948033 458508692 /nfs/dbraw/zinc/50/86/92/458508692.db2.gz DEVLBRSHOWTGKH-MRXNPFEDSA-N 2 0 337.467 3.351 20 0 EGADRP C[C@H]1CN(Cc2cc(Br)cc3cccnc32)CC[C@H]1[NH3+] ZINC000430944167 458508873 /nfs/dbraw/zinc/50/88/73/458508873.db2.gz SDEZUFIKIPDJEG-XHDPSFHLSA-N 2 0 334.261 3.166 20 0 EGADRP C[C@@H]1CN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430944914 458509131 /nfs/dbraw/zinc/50/91/31/458509131.db2.gz OPKHRKBHWGMGJI-MNEFBYGVSA-N 2 0 348.450 3.495 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423912529 458512208 /nfs/dbraw/zinc/51/22/08/458512208.db2.gz WDWCUNUXCLQBGS-SLFFLAALSA-N 2 0 343.515 3.017 20 0 EGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000423937604 458516847 /nfs/dbraw/zinc/51/68/47/458516847.db2.gz HHFDWYYXBAGCDB-UXHICEINSA-N 2 0 339.483 3.058 20 0 EGADRP Cc1ccc(CCC[NH2+]CCCNC(=O)/C=C/c2ccccc2)cn1 ZINC000493625387 458516965 /nfs/dbraw/zinc/51/69/65/458516965.db2.gz OHHCYUIKIJGCET-OUKQBFOZSA-N 2 0 337.467 3.132 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032663 458518979 /nfs/dbraw/zinc/51/89/79/458518979.db2.gz KJRKYRKWLBGVGJ-CQSZACIVSA-N 2 0 335.879 3.051 20 0 EGADRP [NH3+]C1(CNC(=O)C2CCCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424025125 458539527 /nfs/dbraw/zinc/53/95/27/458539527.db2.gz YEGZZQOAPVTFFU-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP CCCC[C@@H](CC)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424041743 458543271 /nfs/dbraw/zinc/54/32/71/458543271.db2.gz UNNQQCRTNPCQTI-LJQANCHMSA-N 2 0 345.531 3.313 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000438190320 458547030 /nfs/dbraw/zinc/54/70/30/458547030.db2.gz OGEXXUXSZSAPQH-QGZVFWFLSA-N 2 0 328.456 3.428 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC(C[NH+]2CCCC2)CC1)CC1CCCCC1 ZINC000424132584 458567015 /nfs/dbraw/zinc/56/70/15/458567015.db2.gz KYNJTIMLKBZDDX-FQEVSTJZSA-N 2 0 349.563 3.399 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424149261 458571432 /nfs/dbraw/zinc/57/14/32/458571432.db2.gz WCOUWJNSVLUUBX-WOJBJXKFSA-N 2 0 349.563 3.255 20 0 EGADRP [NH3+][C@@H](CCC(=O)NCC1CC[NH+](C2CC2)CC1)CC1CCCCC1 ZINC000424183986 458578542 /nfs/dbraw/zinc/57/85/42/458578542.db2.gz DEJDVGLRELFWCA-SFHVURJKSA-N 2 0 335.536 3.055 20 0 EGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424189697 458581411 /nfs/dbraw/zinc/58/14/11/458581411.db2.gz DRUAXJAQNCDZIW-UYAOXDASSA-N 2 0 349.563 3.301 20 0 EGADRP [NH3+]C[C@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301777 458609504 /nfs/dbraw/zinc/60/95/04/458609504.db2.gz LIDFMSBGXGKTIU-AZUAARDMSA-N 2 0 347.522 3.456 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424318355 458615225 /nfs/dbraw/zinc/61/52/25/458615225.db2.gz FUOHODDXFUQMCO-QBPKDAKJSA-N 2 0 326.525 3.309 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)C[C@H]1C ZINC000438819853 458616394 /nfs/dbraw/zinc/61/63/94/458616394.db2.gz NEQYSWULOPOLSJ-GDBMZVCRSA-N 2 0 335.467 3.267 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000424388057 458630937 /nfs/dbraw/zinc/63/09/37/458630937.db2.gz ZBUQSIJKZHMIGS-JKSUJKDBSA-N 2 0 334.479 3.477 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424438859 458645357 /nfs/dbraw/zinc/64/53/57/458645357.db2.gz QRRSFPZKANTSOH-HKUYNNGSSA-N 2 0 346.519 3.476 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470977477 458671884 /nfs/dbraw/zinc/67/18/84/458671884.db2.gz XMXTXWLJOAZZEP-ZBFHGGJFSA-N 2 0 349.906 3.331 20 0 EGADRP CC[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000546810626 458677026 /nfs/dbraw/zinc/67/70/26/458677026.db2.gz SXJPDIPWQSRTSB-RTWAWAEBSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432232644 458702435 /nfs/dbraw/zinc/70/24/35/458702435.db2.gz NQZZPFZPPXUWIY-LBPRGKRZSA-N 2 0 348.293 3.248 20 0 EGADRP CC[C@H]1C[NH+](CCCCC[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439476688 458711568 /nfs/dbraw/zinc/71/15/68/458711568.db2.gz ZRLDDZOQURWXTO-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP C[NH+]1CCC(CC[NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530231271 458725211 /nfs/dbraw/zinc/72/52/11/458725211.db2.gz NKNGOTKMUHWQDZ-UHFFFAOYSA-N 2 0 330.516 3.397 20 0 EGADRP Fc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000530239778 458727595 /nfs/dbraw/zinc/72/75/95/458727595.db2.gz HUKJMZSKBGINLC-OAHLLOKOSA-N 2 0 326.843 3.070 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2s1 ZINC000530247564 458730541 /nfs/dbraw/zinc/73/05/41/458730541.db2.gz AKYXUARKWJZCGR-QGZVFWFLSA-N 2 0 345.512 3.195 20 0 EGADRP CCc1nc(C)c([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)s1 ZINC000432420795 458737311 /nfs/dbraw/zinc/73/73/11/458737311.db2.gz MQMMYIFAEFYTNI-KGLIPLIRSA-N 2 0 325.522 3.165 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1cccs1 ZINC000547430288 458738963 /nfs/dbraw/zinc/73/89/63/458738963.db2.gz TZRPBIDLBOSGHA-INIZCTEOSA-N 2 0 337.533 3.122 20 0 EGADRP CN(CC[N@H+](C)C/C=C\c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000530335621 458750574 /nfs/dbraw/zinc/75/05/74/458750574.db2.gz UUDRPKPPWYEDDX-PLNGDYQASA-N 2 0 335.923 3.311 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505552 458752263 /nfs/dbraw/zinc/75/22/63/458752263.db2.gz VZWJBEYCKBGRFG-WMQCIHAUSA-N 2 0 330.516 3.428 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC000471962577 458756410 /nfs/dbraw/zinc/75/64/10/458756410.db2.gz DZKMBMHROCNJJF-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494927514 458766185 /nfs/dbraw/zinc/76/61/85/458766185.db2.gz AACYVJPDIHQWSY-GQCTYLIASA-N 2 0 331.504 3.165 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440122851 458783677 /nfs/dbraw/zinc/78/36/77/458783677.db2.gz YKZMBPZLZPVKOI-PIKOESSRSA-N 2 0 347.547 3.257 20 0 EGADRP C[N@@H+]1CC[C@@]2(C[C@@H]1c1ccccc1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000514823994 458801217 /nfs/dbraw/zinc/80/12/17/458801217.db2.gz ITNOIBLPFXIHDU-YLJYHZDGSA-N 2 0 346.438 3.106 20 0 EGADRP C[N@H+](CCC(=O)N1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000548064172 458831684 /nfs/dbraw/zinc/83/16/84/458831684.db2.gz NVZIROWLNZFAGR-UHFFFAOYSA-N 2 0 335.536 3.118 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000474173691 458866579 /nfs/dbraw/zinc/86/65/79/458866579.db2.gz SNMBQZLNWGMFQO-QGZVFWFLSA-N 2 0 327.472 3.480 20 0 EGADRP CCc1cccc(Cl)c1C[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000474352874 458879998 /nfs/dbraw/zinc/87/99/98/458879998.db2.gz IQJIOGRFYVCPBR-UHFFFAOYSA-N 2 0 337.939 3.410 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223312 458902476 /nfs/dbraw/zinc/90/24/76/458902476.db2.gz GSPVJVLLQKVHDE-PXNSSMCTSA-N 2 0 349.478 3.348 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000474882047 458904544 /nfs/dbraw/zinc/90/45/44/458904544.db2.gz XUGAZSUCALAYJO-IEBWSBKVSA-N 2 0 346.515 3.466 20 0 EGADRP CC(C)N(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000441398517 458935553 /nfs/dbraw/zinc/93/55/53/458935553.db2.gz YJZRBTGAVATDFE-PXNSSMCTSA-N 2 0 347.547 3.115 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)CC(C)C ZINC000519354641 458937786 /nfs/dbraw/zinc/93/77/86/458937786.db2.gz FORGXZVQWKGMTK-KRWDZBQOSA-N 2 0 346.519 3.210 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000519387593 458943250 /nfs/dbraw/zinc/94/32/50/458943250.db2.gz MQQBYLDIQZOARC-UWJYYQICSA-N 2 0 326.484 3.065 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000556665209 458984463 /nfs/dbraw/zinc/98/44/63/458984463.db2.gz BQKONQLRNVIALG-KXBFYZLASA-N 2 0 344.503 3.087 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000495883540 458991271 /nfs/dbraw/zinc/99/12/71/458991271.db2.gz DBXBGQWTXWXHMI-AWEZNQCLSA-N 2 0 332.448 3.117 20 0 EGADRP Cc1cc(N2CCC([N@H+](C)CCO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000477067243 459028811 /nfs/dbraw/zinc/02/88/11/459028811.db2.gz HFVNHEBGRDONEZ-UHFFFAOYSA-N 2 0 347.890 3.398 20 0 EGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000566985352 459031690 /nfs/dbraw/zinc/03/16/90/459031690.db2.gz GMDNOGNJKVRRLR-UFYCRDLUSA-N 2 0 329.532 3.319 20 0 EGADRP CC(C)COc1ccc(C[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000520211372 459039964 /nfs/dbraw/zinc/03/99/64/459039964.db2.gz KFOMOQOXFIWQAO-HDICACEKSA-N 2 0 334.504 3.310 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@@H](O)CC(F)(F)F)c2)CC1 ZINC000577483791 459040395 /nfs/dbraw/zinc/04/03/95/459040395.db2.gz DMKHAUCZDDLFCY-KRWDZBQOSA-N 2 0 344.421 3.321 20 0 EGADRP CCc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000577511231 459044603 /nfs/dbraw/zinc/04/46/03/459044603.db2.gz ZFUQSWQYPJXAPJ-GOSISDBHSA-N 2 0 339.483 3.488 20 0 EGADRP C[C@@H](O)[C@@](C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000577571591 459051109 /nfs/dbraw/zinc/05/11/09/459051109.db2.gz UOZUZZIEZWJAHA-DYESRHJHSA-N 2 0 330.516 3.080 20 0 EGADRP CC[C@]1(C)C[N@H+](CCCCC[NH+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000442886113 459052438 /nfs/dbraw/zinc/05/24/38/459052438.db2.gz PZQZUPPHUFFCIP-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1(C)C ZINC000442889308 459055485 /nfs/dbraw/zinc/05/54/85/459055485.db2.gz JYAIZGXYFSICND-WOJBJXKFSA-N 2 0 329.532 3.013 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000496101279 459068113 /nfs/dbraw/zinc/06/81/13/459068113.db2.gz DINUSDFEDKRCMO-ROUUACIJSA-N 2 0 345.487 3.162 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CCCC1 ZINC000577684612 459073003 /nfs/dbraw/zinc/07/30/03/459073003.db2.gz MOJJTRGPTCJIQC-NCYKPQTJSA-N 2 0 328.500 3.038 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1NC(C)=O ZINC000577946782 459120932 /nfs/dbraw/zinc/12/09/32/459120932.db2.gz OQJPMNXUVOUFHE-KZNAEPCWSA-N 2 0 345.487 3.054 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000479464037 459142212 /nfs/dbraw/zinc/14/22/12/459142212.db2.gz KPPVFSAFSYPTAC-CTNGQTDRSA-N 2 0 336.479 3.492 20 0 EGADRP CC(C)C[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000521380191 459145082 /nfs/dbraw/zinc/14/50/82/459145082.db2.gz OCOAXPORZDICHE-PKOBYXMFSA-N 2 0 333.520 3.208 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000496305821 459145217 /nfs/dbraw/zinc/14/52/17/459145217.db2.gz KETUHBBWZSZECZ-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CC(F)(F)F ZINC000567690557 459145929 /nfs/dbraw/zinc/14/59/29/459145929.db2.gz DKUXOFVXVZERSK-QGZVFWFLSA-N 2 0 344.421 3.466 20 0 EGADRP COCc1nc(C[NH2+]C2CCC([NH3+])CC2)c(-c2ccccc2)s1 ZINC000521423746 459151097 /nfs/dbraw/zinc/15/10/97/459151097.db2.gz NBNNMJGRNDKEFW-UHFFFAOYSA-N 2 0 331.485 3.316 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000567726731 459156189 /nfs/dbraw/zinc/15/61/89/459156189.db2.gz UBWLVHXLDSDUHO-NRFANRHFSA-N 2 0 348.531 3.328 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477731 459163976 /nfs/dbraw/zinc/16/39/76/459163976.db2.gz HUZRNRBRYXDCIL-FCHUYYIVSA-N 2 0 341.543 3.316 20 0 EGADRP CC[C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000480378840 459195796 /nfs/dbraw/zinc/19/57/96/459195796.db2.gz OQPCTWDAWKCCEN-QFBILLFUSA-N 2 0 345.531 3.106 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc2s1 ZINC000578423026 459198069 /nfs/dbraw/zinc/19/80/69/459198069.db2.gz WTVQKJUXYMUXJY-LPHOPBHVSA-N 2 0 345.512 3.323 20 0 EGADRP Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000480466603 459199507 /nfs/dbraw/zinc/19/95/07/459199507.db2.gz ZDZCYVKGODGZQC-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CC(C)[C@@H](CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000480539572 459203760 /nfs/dbraw/zinc/20/37/60/459203760.db2.gz VRXKTIBTAPIQKL-WIYYLYMNSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCC[C@@H](C)C1 ZINC000480618993 459208931 /nfs/dbraw/zinc/20/89/31/459208931.db2.gz YRHBVHQWGLPGAJ-QYZOEREBSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H](CN1CCCCCC1)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000480658191 459211575 /nfs/dbraw/zinc/21/15/75/459211575.db2.gz AEDNGKURGNCJRN-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000590818968 459231890 /nfs/dbraw/zinc/23/18/90/459231890.db2.gz NKVFSRMTHYVONT-KRWDZBQOSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000590818982 459232028 /nfs/dbraw/zinc/23/20/28/459232028.db2.gz OVLYUZNSDFDYHK-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000590818863 459232519 /nfs/dbraw/zinc/23/25/19/459232519.db2.gz CDUCAKPRBNCGEA-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179821 459237383 /nfs/dbraw/zinc/23/73/83/459237383.db2.gz JPZSYNYVMWCKJB-CEXWTWQISA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179824 459237871 /nfs/dbraw/zinc/23/78/71/459237871.db2.gz JPZSYNYVMWCKJB-QYZOEREBSA-N 2 0 347.547 3.398 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC000595094697 459243141 /nfs/dbraw/zinc/24/31/41/459243141.db2.gz HHWJTQNKWJYDSU-YESZJQIVSA-N 2 0 326.525 3.453 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496639573 459268596 /nfs/dbraw/zinc/26/85/96/459268596.db2.gz KDOSCYGPZOISKC-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000481709847 459269822 /nfs/dbraw/zinc/26/98/22/459269822.db2.gz ASHQYPAVRHKXLZ-XJKSGUPXSA-N 2 0 325.294 3.496 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3nc(C)c(C)[nH]3)CC2)cc1 ZINC000581954936 459283460 /nfs/dbraw/zinc/28/34/60/459283460.db2.gz QBSZPHDDXRIBIY-UHFFFAOYSA-N 2 0 342.487 3.037 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000582026472 459293050 /nfs/dbraw/zinc/29/30/50/459293050.db2.gz JDQVBQGSGGVJHC-OXQOHEQNSA-N 2 0 340.515 3.161 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C(C)C)cc1 ZINC000482366942 459304946 /nfs/dbraw/zinc/30/49/46/459304946.db2.gz MREZVXQCASSETD-QFIPXVFZSA-N 2 0 345.575 3.425 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483157430 459345587 /nfs/dbraw/zinc/34/55/87/459345587.db2.gz RUGTZASFBFMPOT-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483157432 459346477 /nfs/dbraw/zinc/34/64/77/459346477.db2.gz RUGTZASFBFMPOT-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000496852900 459346850 /nfs/dbraw/zinc/34/68/50/459346850.db2.gz CIWQUWOJCGCAJG-NJAFHUGGSA-N 2 0 333.476 3.007 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000524156195 459349539 /nfs/dbraw/zinc/34/95/39/459349539.db2.gz SZBQEBXGHYXJQG-ZHALLVOQSA-N 2 0 337.552 3.122 20 0 EGADRP c1cnn(-c2cc[nH+]cc2NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000568850153 459355289 /nfs/dbraw/zinc/35/52/89/459355289.db2.gz ZMZLOXDFGYCWDR-UHFFFAOYSA-N 2 0 325.460 3.476 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000568857771 459355897 /nfs/dbraw/zinc/35/58/97/459355897.db2.gz OSJUXKZMZMUFNS-UHFFFAOYSA-N 2 0 335.467 3.174 20 0 EGADRP CC1(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[NH2+]CC1 ZINC000568972016 459374691 /nfs/dbraw/zinc/37/46/91/459374691.db2.gz RTNMKYYHJNEMQM-UHFFFAOYSA-N 2 0 345.468 3.018 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000525874990 459509252 /nfs/dbraw/zinc/50/92/52/459509252.db2.gz DDLZCUDSMVDIQO-NHCUHLMSSA-N 2 0 329.532 3.114 20 0 EGADRP C[NH+](CC1(C[N@@H+](C)C(C2CC2)C2CC2)COC1)C(C1CC1)C1CC1 ZINC000542003326 459519383 /nfs/dbraw/zinc/51/93/83/459519383.db2.gz UIYMOAQSGRQGLD-UHFFFAOYSA-N 2 0 332.532 3.244 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)[NH+](C)C)cc1 ZINC000542486413 459562200 /nfs/dbraw/zinc/56/22/00/459562200.db2.gz HZXKSMVNNCBUDU-YJBOKZPZSA-N 2 0 333.520 3.135 20 0 EGADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000583673722 459578716 /nfs/dbraw/zinc/57/87/16/459578716.db2.gz SQZHOKRWRNYMHA-HNNXBMFYSA-N 2 0 347.272 3.207 20 0 EGADRP CC(C)[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000572886977 459590779 /nfs/dbraw/zinc/59/07/79/459590779.db2.gz HBOLCZLXVQLVMY-NRFANRHFSA-N 2 0 331.548 3.384 20 0 EGADRP COC(=O)C(C)(C)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000527219110 459609893 /nfs/dbraw/zinc/60/98/93/459609893.db2.gz CJKVYLZVZLUIJV-GOSISDBHSA-N 2 0 332.488 3.030 20 0 EGADRP CC[C@@H]1C[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000592489070 459612227 /nfs/dbraw/zinc/61/22/27/459612227.db2.gz PMIIUCZZCZUILS-DOMZBBRYSA-N 2 0 332.366 3.023 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000527348792 459632525 /nfs/dbraw/zinc/63/25/25/459632525.db2.gz WOTMEIBTUZVDRN-SFTDATJTSA-N 2 0 329.532 3.015 20 0 EGADRP C[N@H+](CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCCCC1 ZINC000573434507 459675904 /nfs/dbraw/zinc/67/59/04/459675904.db2.gz BTAVSKLVDUTKAG-SFHVURJKSA-N 2 0 347.503 3.187 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000584226935 459685075 /nfs/dbraw/zinc/68/50/75/459685075.db2.gz XKCXUJLVOYQVPF-LAUBAEHRSA-N 2 0 326.484 3.065 20 0 EGADRP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000527676674 459696117 /nfs/dbraw/zinc/69/61/17/459696117.db2.gz UHEHFTNATFFNMS-HZPDHXFCSA-N 2 0 332.479 3.415 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527692272 459702880 /nfs/dbraw/zinc/70/28/80/459702880.db2.gz RLQVFMMJPSTKEV-FQEVSTJZSA-N 2 0 335.451 3.024 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000573683656 459717319 /nfs/dbraw/zinc/71/73/19/459717319.db2.gz BFZDMBOHVQIGKR-LJQANCHMSA-N 2 0 347.572 3.402 20 0 EGADRP O[C@H](C[NH2+]C[C@@H](c1ccccc1)N1CCCC1)Cc1ccc(F)cc1 ZINC000573774949 459731332 /nfs/dbraw/zinc/73/13/32/459731332.db2.gz QZBGJHRWNQRPLX-SFTDATJTSA-N 2 0 342.458 3.156 20 0 EGADRP CC1CCC(O)(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000573794380 459736388 /nfs/dbraw/zinc/73/63/88/459736388.db2.gz JEXALWMBZKKILZ-VEDCXYSMSA-N 2 0 330.516 3.082 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)cc2)C1 ZINC000573805818 459738479 /nfs/dbraw/zinc/73/84/79/459738479.db2.gz QDNPDRSKAQYPNZ-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527849110 459758116 /nfs/dbraw/zinc/75/81/16/459758116.db2.gz LJXZKOJNLMSFTP-GOSISDBHSA-N 2 0 339.886 3.082 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527857489 459759339 /nfs/dbraw/zinc/75/93/39/459759339.db2.gz CBDBWSHDNBAIHO-SFHVURJKSA-N 2 0 339.886 3.084 20 0 EGADRP CC[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)OCCc2ccccc21 ZINC000584559496 459767293 /nfs/dbraw/zinc/76/72/93/459767293.db2.gz SUNGKTXSXGWXJT-OAQYLSRUSA-N 2 0 328.500 3.329 20 0 EGADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069982 459775864 /nfs/dbraw/zinc/77/58/64/459775864.db2.gz QPLGITQHKIITJW-UHOSZYNNSA-N 2 0 343.515 3.093 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000575052692 459916533 /nfs/dbraw/zinc/91/65/33/459916533.db2.gz GVSPAPKAVCXYQV-OAQYLSRUSA-N 2 0 326.484 3.220 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CCCCC2)[C@@H](C)C1 ZINC000575624329 459989517 /nfs/dbraw/zinc/98/95/17/459989517.db2.gz AJXNAURQEXJLBT-OALUTQOASA-N 2 0 340.552 3.310 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000575774646 460001203 /nfs/dbraw/zinc/00/12/03/460001203.db2.gz OHOSKIJXIOWAEC-RPVQJOFSSA-N 2 0 349.906 3.343 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000576457689 460145734 /nfs/dbraw/zinc/14/57/34/460145734.db2.gz PQCKEXNJKPHBIY-OAHLLOKOSA-N 2 0 337.895 3.236 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000599320398 460227490 /nfs/dbraw/zinc/22/74/90/460227490.db2.gz SESBJIVDHSJSSO-HXUWFJFHSA-N 2 0 343.515 3.163 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000634679178 460472217 /nfs/dbraw/zinc/47/22/17/460472217.db2.gz MZDWSTUZWZWBBI-HNAYVOBHSA-N 2 0 339.474 3.135 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733063 460497646 /nfs/dbraw/zinc/49/76/46/460497646.db2.gz WMEKMZQHBSVWSC-QGZVFWFLSA-N 2 0 344.478 3.496 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631664499 460498663 /nfs/dbraw/zinc/49/86/63/460498663.db2.gz NZDGXNAXYWQTNC-QWFCFKBJSA-N 2 0 326.488 3.019 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668602 460501826 /nfs/dbraw/zinc/50/18/26/460501826.db2.gz ZTADPIHJQBKFMN-TXPKVOOTSA-N 2 0 326.488 3.147 20 0 EGADRP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000623860425 460748582 /nfs/dbraw/zinc/74/85/82/460748582.db2.gz WQYVPNSVRWIFHS-LEWJYISDSA-N 2 0 331.548 3.259 20 0 EGADRP Cc1csc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000623888559 460762741 /nfs/dbraw/zinc/76/27/41/460762741.db2.gz KVIIDSCKRYSXOA-OAHLLOKOSA-N 2 0 333.501 3.285 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000601289911 460778508 /nfs/dbraw/zinc/77/85/08/460778508.db2.gz WECBDYZLVPMPKG-VHBXLISGSA-N 2 0 344.499 3.076 20 0 EGADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629544523 460802334 /nfs/dbraw/zinc/80/23/34/460802334.db2.gz IYDGCYLCMLFKHR-XNISGKROSA-N 2 0 337.870 3.036 20 0 EGADRP O[C@@H](C[NH2+]CC1(Sc2ccccc2)CCCC1)C[NH+]1CCCC1 ZINC000629562839 460811421 /nfs/dbraw/zinc/81/14/21/460811421.db2.gz NXJNVMCFCGFFJJ-KRWDZBQOSA-N 2 0 334.529 3.138 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000629567642 460813010 /nfs/dbraw/zinc/81/30/10/460813010.db2.gz ZILHDQIGTQKXIY-RHSMWYFYSA-N 2 0 344.421 3.245 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[N@H+](C)C3CCC3)c2)CC1 ZINC000629956292 460974249 /nfs/dbraw/zinc/97/42/49/460974249.db2.gz ZJTPVDVMVCLEQS-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1(C)C ZINC000608579378 461085443 /nfs/dbraw/zinc/08/54/43/461085443.db2.gz HQSNQWOAAVDWCM-CTNGQTDRSA-N 2 0 346.515 3.454 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCCC2 ZINC000646229211 461137641 /nfs/dbraw/zinc/13/76/41/461137641.db2.gz QGOZZOXEHMSHKU-HXUWFJFHSA-N 2 0 344.499 3.041 20 0 EGADRP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652347227 461143409 /nfs/dbraw/zinc/14/34/09/461143409.db2.gz WPXOVOAZSWRVJJ-ZJOUEHCJSA-N 2 0 346.515 3.291 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2ccncc2s1 ZINC000668160236 461145787 /nfs/dbraw/zinc/14/57/87/461145787.db2.gz WRPBBRHWBUBZAZ-QGZVFWFLSA-N 2 0 346.544 3.144 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362528 461154022 /nfs/dbraw/zinc/15/40/22/461154022.db2.gz JCRDYJIFJXUMOT-QLFBSQMISA-N 2 0 347.484 3.264 20 0 EGADRP CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362869 461154210 /nfs/dbraw/zinc/15/42/10/461154210.db2.gz RQWGRLOPBKZNOD-GGPKGHCWSA-N 2 0 332.488 3.335 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)no2)C1 ZINC000652361245 461155336 /nfs/dbraw/zinc/15/53/36/461155336.db2.gz AFVFRZXBRMJKEO-AHRSYUTCSA-N 2 0 341.455 3.202 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCc2nsc3ccccc32)C1 ZINC000662282925 461165715 /nfs/dbraw/zinc/16/57/15/461165715.db2.gz DNECLNWCORAWDB-OLMNPRSZSA-N 2 0 345.512 3.200 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293357 461170117 /nfs/dbraw/zinc/17/01/17/461170117.db2.gz GKUDGJUEIOTIEH-MRXNPFEDSA-N 2 0 349.906 3.299 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCC[C@H]1O ZINC000649572669 461185475 /nfs/dbraw/zinc/18/54/75/461185475.db2.gz DTNSCNZPLGBRSG-UYAOXDASSA-N 2 0 331.504 3.171 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662411100 461236243 /nfs/dbraw/zinc/23/62/43/461236243.db2.gz SECXZPJFAPVUPG-WOJBJXKFSA-N 2 0 337.467 3.161 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000655444439 461254516 /nfs/dbraw/zinc/25/45/16/461254516.db2.gz WQSXXJWFYXSMEP-CTNGQTDRSA-N 2 0 341.499 3.247 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638178103 461291861 /nfs/dbraw/zinc/29/18/61/461291861.db2.gz FMOLIXQZIMUFGN-YMQHIKHWSA-N 2 0 328.500 3.364 20 0 EGADRP C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@@H]1CCC[NH3+] ZINC000659375805 461320000 /nfs/dbraw/zinc/32/00/00/461320000.db2.gz PEPDLWMBHLAAJG-MOXGXCLJSA-N 2 0 343.515 3.045 20 0 EGADRP CC[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000652756686 461343036 /nfs/dbraw/zinc/34/30/36/461343036.db2.gz PJBMXRRPIOLYTR-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](OC)C2CCOCC2)cc1 ZINC000638310618 461359522 /nfs/dbraw/zinc/35/95/22/461359522.db2.gz ZPTIKKITXHBBEU-FQEVSTJZSA-N 2 0 334.504 3.060 20 0 EGADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000638313137 461360076 /nfs/dbraw/zinc/36/00/76/461360076.db2.gz PUYPWFQKNXOGBE-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000638312846 461360499 /nfs/dbraw/zinc/36/04/99/461360499.db2.gz KKRBVGCBRAPKDT-NRFANRHFSA-N 2 0 346.515 3.204 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000655687761 461362553 /nfs/dbraw/zinc/36/25/53/461362553.db2.gz ZDMFXWUEZVMBLE-PMACEKPBSA-N 2 0 329.532 3.152 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655708903 461378457 /nfs/dbraw/zinc/37/84/57/461378457.db2.gz PJMJPYBSZGGYHH-XLIONFOSSA-N 2 0 329.532 3.154 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000652871498 461394227 /nfs/dbraw/zinc/39/42/27/461394227.db2.gz LDZGSJRCXCENFL-SFHVURJKSA-N 2 0 349.544 3.399 20 0 EGADRP c1cc(CCC[NH2+]CC2CC[NH+](CC3CC3)CC2)cc2c1OCC2 ZINC000668783611 461432997 /nfs/dbraw/zinc/43/29/97/461432997.db2.gz ROYMKDUMJOLKIX-UHFFFAOYSA-N 2 0 328.500 3.266 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccccc3OC(F)F)c2)CC1 ZINC000630960846 461443215 /nfs/dbraw/zinc/44/32/15/461443215.db2.gz JASIVDLHAGMQRK-UHFFFAOYSA-N 2 0 348.397 3.047 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659869341 461471695 /nfs/dbraw/zinc/47/16/95/461471695.db2.gz UGHXUORBHHPWEB-SFHVURJKSA-N 2 0 347.528 3.294 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000638553846 461481548 /nfs/dbraw/zinc/48/15/48/461481548.db2.gz UGRGFOKUSXHJFH-CTNGQTDRSA-N 2 0 347.547 3.016 20 0 EGADRP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638565840 461487180 /nfs/dbraw/zinc/48/71/80/461487180.db2.gz XWFOBYHYTLFHIN-UEXGIBASSA-N 2 0 325.500 3.181 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000642340171 461499340 /nfs/dbraw/zinc/49/93/40/461499340.db2.gz FMLBOHPUNHMECW-UHFFFAOYSA-N 2 0 327.472 3.062 20 0 EGADRP CCCc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000642339847 461499467 /nfs/dbraw/zinc/49/94/67/461499467.db2.gz IIJXWAUDYLSCNG-UHFFFAOYSA-N 2 0 338.499 3.076 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000653119651 461510416 /nfs/dbraw/zinc/51/04/16/461510416.db2.gz RPLBKQYHUOLAIM-HKUYNNGSSA-N 2 0 343.515 3.156 20 0 EGADRP COc1ccc([C@@H](C)CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638632515 461512424 /nfs/dbraw/zinc/51/24/24/461512424.db2.gz ZYWFRHYMIQQFSF-INIZCTEOSA-N 2 0 334.504 3.014 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@]12CCCO2 ZINC000638722134 461548167 /nfs/dbraw/zinc/54/81/67/461548167.db2.gz PCYXHKXPIJXKTG-VAMGGRTRSA-N 2 0 338.536 3.061 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000638729397 461553421 /nfs/dbraw/zinc/55/34/21/461553421.db2.gz PBSOTIQQFIEONO-KBPBESRZSA-N 2 0 336.442 3.180 20 0 EGADRP CC[N@H+](CCCNC(=O)C[C@@H](C)C1CC[NH2+]CC1)C1CCCCC1 ZINC000653200725 461555321 /nfs/dbraw/zinc/55/53/21/461555321.db2.gz NRCWZOJPCBMKLY-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663357370 461586303 /nfs/dbraw/zinc/58/63/03/461586303.db2.gz LURMAAAJXRZFSY-UHFFFAOYSA-N 2 0 331.504 3.141 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC[C@@H]1CCc2ccccc21 ZINC000660115560 461588147 /nfs/dbraw/zinc/58/81/47/461588147.db2.gz BIBNDFCXSGHXFZ-ZSXPUABSSA-N 2 0 328.500 3.290 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000653253234 461591667 /nfs/dbraw/zinc/59/16/67/461591667.db2.gz MESSPPWHJFGOCA-MAUKXSAKSA-N 2 0 349.544 3.432 20 0 EGADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253431 461593347 /nfs/dbraw/zinc/59/33/47/461593347.db2.gz UECWAYPZVIGWGX-MRXNPFEDSA-N 2 0 347.528 3.203 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000650146424 461597572 /nfs/dbraw/zinc/59/75/72/461597572.db2.gz ARORQOQDAXDBJI-KURKYZTESA-N 2 0 343.515 3.226 20 0 EGADRP CN(CC[N@H+](C)CC[C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000660139063 461603780 /nfs/dbraw/zinc/60/37/80/461603780.db2.gz HSLWCBOWTUOXIX-LJQANCHMSA-N 2 0 329.532 3.064 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@]12CCCO2 ZINC000638850757 461616783 /nfs/dbraw/zinc/61/67/83/461616783.db2.gz SZXPWESDZKJXEO-NJDAHSKKSA-N 2 0 344.499 3.099 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)CNC(C)(c1ccccc1)c1ccccc1 ZINC000660194287 461629002 /nfs/dbraw/zinc/62/90/02/461629002.db2.gz HUXILYJRFSPIHG-HXUWFJFHSA-N 2 0 326.484 3.241 20 0 EGADRP CC(C)[C@H]1[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC12CCOCC2 ZINC000666448697 461633075 /nfs/dbraw/zinc/63/30/75/461633075.db2.gz IXHBOGDFXUONOG-HXUWFJFHSA-N 2 0 346.515 3.264 20 0 EGADRP CC(C)C[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000653347282 461642264 /nfs/dbraw/zinc/64/22/64/461642264.db2.gz ZHDYEDFWABENEZ-FRYIKTPZSA-N 2 0 345.531 3.386 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCc2nc(C(C)=O)c(C)[nH]2)CC1 ZINC000660245377 461662926 /nfs/dbraw/zinc/66/29/26/461662926.db2.gz XPAVRIWXXYDCDC-UHFFFAOYSA-N 2 0 348.535 3.297 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000656249731 461671717 /nfs/dbraw/zinc/67/17/17/461671717.db2.gz BMBCGZGUOXMZAC-UHFFFAOYSA-N 2 0 326.488 3.263 20 0 EGADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483663 461697632 /nfs/dbraw/zinc/69/76/32/461697632.db2.gz GTWLETOZPJSFDE-HKUYNNGSSA-N 2 0 346.519 3.030 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453185 461729981 /nfs/dbraw/zinc/72/99/81/461729981.db2.gz MQFJTUAJXNDQSE-CCKFTAQKSA-N 2 0 337.458 3.301 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1[NH3+] ZINC000647497267 461734073 /nfs/dbraw/zinc/73/40/73/461734073.db2.gz BFSAAHCONYUNTK-XLIONFOSSA-N 2 0 325.456 3.220 20 0 EGADRP CC[C@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647498563 461735830 /nfs/dbraw/zinc/73/58/30/461735830.db2.gz KDKRYPZULDTQPY-KXBFYZLASA-N 2 0 330.451 3.187 20 0 EGADRP O=C1[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCN1C1CCCCC1 ZINC000643467622 461736531 /nfs/dbraw/zinc/73/65/31/461736531.db2.gz DMUSXLYHXJOBRL-MISYRCLQSA-N 2 0 341.499 3.003 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643486548 461742331 /nfs/dbraw/zinc/74/23/31/461742331.db2.gz ZAOZUBAUBGAQKU-SJORKVTESA-N 2 0 340.515 3.475 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)s2)cn1 ZINC000647542670 461754477 /nfs/dbraw/zinc/75/44/77/461754477.db2.gz AAJFYBPPAYNARY-HOTGVXAUSA-N 2 0 344.528 3.360 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000647543208 461756549 /nfs/dbraw/zinc/75/65/49/461756549.db2.gz JHQLLLHZLFVLRQ-JKSUJKDBSA-N 2 0 344.528 3.485 20 0 EGADRP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542965 461756687 /nfs/dbraw/zinc/75/66/87/461756687.db2.gz FKWOCUBEIOVNNG-DLBZAZTESA-N 2 0 342.462 3.223 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544294 461759594 /nfs/dbraw/zinc/75/95/94/461759594.db2.gz ZAQXSSLJXYROIY-ROUUACIJSA-N 2 0 332.488 3.306 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000639145433 461761689 /nfs/dbraw/zinc/76/16/89/461761689.db2.gz LGDROZAUQUETGU-RZDIXWSQSA-N 2 0 336.907 3.411 20 0 EGADRP C[N@H+](C[C@@]1(C)C[C@@H]1c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172251 461781249 /nfs/dbraw/zinc/78/12/49/461781249.db2.gz JUWHWYSWKXQWBS-YPAWHYETSA-N 2 0 341.543 3.281 20 0 EGADRP Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc(C)n1 ZINC000660484853 461805057 /nfs/dbraw/zinc/80/50/57/461805057.db2.gz CUCOBCKGHHIHOC-HXUWFJFHSA-N 2 0 338.499 3.484 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792340 461836790 /nfs/dbraw/zinc/83/67/90/461836790.db2.gz ZKMDMNXGNWTGSL-BAGYTPMASA-N 3 0 341.543 3.396 20 0 EGADRP c1coc(COCc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)c1 ZINC000647793037 461838209 /nfs/dbraw/zinc/83/82/09/461838209.db2.gz ISLOPVKBGYXPPC-SLFFLAALSA-N 2 0 340.467 3.474 20 0 EGADRP c1coc(COCc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)c1 ZINC000647793036 461838464 /nfs/dbraw/zinc/83/84/64/461838464.db2.gz ISLOPVKBGYXPPC-HSALFYBXSA-N 2 0 340.467 3.474 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000647794205 461838799 /nfs/dbraw/zinc/83/87/99/461838799.db2.gz UITRFEPCZCFCTJ-WSTZPKSXSA-N 2 0 342.531 3.017 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000656679103 461838886 /nfs/dbraw/zinc/83/88/86/461838886.db2.gz VODJWRJKDIRTLN-FQEVSTJZSA-N 2 0 332.463 3.294 20 0 EGADRP COc1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000660540129 461841166 /nfs/dbraw/zinc/84/11/66/461841166.db2.gz PMNMQKMYRLDPRL-IBGZPJMESA-N 2 0 343.496 3.250 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000669931699 461841596 /nfs/dbraw/zinc/84/15/96/461841596.db2.gz RCYCWOVVCDVURN-JOCHJYFZSA-N 2 0 349.522 3.488 20 0 EGADRP C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@@H]1CC[NH2+]C1)OCCO3 ZINC000647874477 461867364 /nfs/dbraw/zinc/86/73/64/461867364.db2.gz ZRNYYTFUJCIELH-HZPDHXFCSA-N 2 0 342.483 3.256 20 0 EGADRP CC[C@H]1C[N@H+](CC2(COc3cccc(COC)c3)CCC2)CC[C@H]1[NH3+] ZINC000647934875 461892689 /nfs/dbraw/zinc/89/26/89/461892689.db2.gz SZICLSGZNWCJCR-AZUAARDMSA-N 2 0 346.515 3.441 20 0 EGADRP CC(C)n1ncc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cnc21 ZINC000656784497 461893302 /nfs/dbraw/zinc/89/33/02/461893302.db2.gz DNYAKGKDKSQUHH-SFHVURJKSA-N 2 0 341.503 3.224 20 0 EGADRP c1ccc(CN(Cc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCC[NH2+]C2)cc1 ZINC000656784856 461893892 /nfs/dbraw/zinc/89/38/92/461893892.db2.gz DCSVGMMRNTZVPL-QFIPXVFZSA-N 2 0 335.495 3.087 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c(C3CC3)nc2s1 ZINC000656783791 461894785 /nfs/dbraw/zinc/89/47/85/461894785.db2.gz UKHICHJKOKDORZ-INIZCTEOSA-N 2 0 344.528 3.485 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705706 461898450 /nfs/dbraw/zinc/89/84/50/461898450.db2.gz RUVPLCRLOSBMNF-NLWGTHIKSA-N 2 0 332.488 3.194 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000650707663 461901072 /nfs/dbraw/zinc/90/10/72/461901072.db2.gz KLHXRKLCCHQPKU-MJEQTWJJSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000650708060 461902263 /nfs/dbraw/zinc/90/22/63/461902263.db2.gz SQTFKPDSKGOGIS-ATZDWAIDSA-N 2 0 343.446 3.092 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)[C@@H]1CC[NH3+] ZINC000650711078 461905569 /nfs/dbraw/zinc/90/55/69/461905569.db2.gz HPFKNZMBOZMOJS-CRAIPNDOSA-N 2 0 326.444 3.218 20 0 EGADRP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975447 461916630 /nfs/dbraw/zinc/91/66/30/461916630.db2.gz AKPJGNRAYALCON-GBESFXJTSA-N 2 0 343.515 3.140 20 0 EGADRP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647976189 461918603 /nfs/dbraw/zinc/91/86/03/461918603.db2.gz LHMSUHLERYDJHU-MSOLQXFVSA-N 2 0 340.471 3.257 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977678 461919660 /nfs/dbraw/zinc/91/96/60/461919660.db2.gz FZPHYBMPRNUUSF-IAGOWNOFSA-N 2 0 347.478 3.174 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977948 461920055 /nfs/dbraw/zinc/92/00/55/461920055.db2.gz KCLLBRAVDFGTHI-QXAKKESOSA-N 2 0 343.515 3.288 20 0 EGADRP Fc1ccc(-n2cnc3c2CC[N@H+](CCCC2CC[NH2+]CC2)C3)cc1 ZINC000647991170 461926620 /nfs/dbraw/zinc/92/66/20/461926620.db2.gz FOFXGGRBXPHFKL-UHFFFAOYSA-N 2 0 342.462 3.149 20 0 EGADRP O=C(NC[C@H]1CCCC[NH2+]1)Nc1cccc(Oc2ccncc2)c1 ZINC000667099706 461949134 /nfs/dbraw/zinc/94/91/34/461949134.db2.gz TUHVIDBCTTZAMW-OAHLLOKOSA-N 2 0 326.400 3.138 20 0 EGADRP O=C(Nc1cccc(Oc2ccncc2)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667099566 461949545 /nfs/dbraw/zinc/94/95/45/461949545.db2.gz BDSAUWBQYNGQOE-RDTXWAMCSA-N 2 0 338.411 3.090 20 0 EGADRP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000667119060 461958718 /nfs/dbraw/zinc/95/87/18/461958718.db2.gz HPRCBRQPIFZWQX-SFHVURJKSA-N 2 0 338.455 3.403 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000644527429 461971017 /nfs/dbraw/zinc/97/10/17/461971017.db2.gz SYCRXYXOYPRNBP-LJQANCHMSA-N 2 0 348.531 3.045 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C(C)(C)C ZINC000644569866 461989525 /nfs/dbraw/zinc/98/95/25/461989525.db2.gz HVMYUWUHMCAQRP-IRXDYDNUSA-N 2 0 326.912 3.199 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C[NH+]1CCCCC1 ZINC000657316236 462040589 /nfs/dbraw/zinc/04/05/89/462040589.db2.gz CPSBGJRCERWNQH-XLIONFOSSA-N 2 0 332.488 3.066 20 0 EGADRP CC[C@H](C)[N@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000661102795 462104370 /nfs/dbraw/zinc/10/43/70/462104370.db2.gz AINHWKGAVGFAMY-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@H](C)[N@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000661106319 462106087 /nfs/dbraw/zinc/10/60/87/462106087.db2.gz HULMQGKMOMPGFO-INIZCTEOSA-N 2 0 349.544 3.294 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000667707166 462223805 /nfs/dbraw/zinc/22/38/05/462223805.db2.gz RSWJCJVCLGFUIZ-YSIASYRMSA-N 2 0 332.488 3.077 20 0 EGADRP Cc1ccc([C@H](CNC(=O)Nc2cccc(C[NH3+])c2)[NH+]2CCCC2)o1 ZINC000667729553 462234719 /nfs/dbraw/zinc/23/47/19/462234719.db2.gz MORFOUOHLZOWKY-KRWDZBQOSA-N 2 0 342.443 3.005 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731153 462236114 /nfs/dbraw/zinc/23/61/14/462236114.db2.gz MSELFKKNXWTUGI-HZPDHXFCSA-N 2 0 332.492 3.025 20 0 EGADRP CCCn1ccnc1CCCN(C)c1ncnc2[nH]c(C)c(C)c21 ZINC000645223619 462242088 /nfs/dbraw/zinc/24/20/88/462242088.db2.gz KRVQCSYHHQQQHL-UHFFFAOYSA-N 2 0 326.448 3.250 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813320 462279533 /nfs/dbraw/zinc/27/95/33/462279533.db2.gz OCZVMAMRKXXOPV-KRWDZBQOSA-N 2 0 335.517 3.206 20 0 EGADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000651663189 462294452 /nfs/dbraw/zinc/29/44/52/462294452.db2.gz BRELUTZRHHDMGH-PMACEKPBSA-N 2 0 347.547 3.016 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000648837780 462301130 /nfs/dbraw/zinc/30/11/30/462301130.db2.gz SUPVSMBYJRKDMD-LJQANCHMSA-N 2 0 334.529 3.346 20 0 EGADRP CCOC1CCC([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000657868472 462302981 /nfs/dbraw/zinc/30/29/81/462302981.db2.gz STDDTXGLILTYAY-UHFFFAOYSA-N 2 0 334.504 3.454 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000645385764 462308623 /nfs/dbraw/zinc/30/86/23/462308623.db2.gz QFQIWCABHYSWSB-UHFFFAOYSA-N 2 0 339.483 3.407 20 0 EGADRP CCC(CC)(CC)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000667888696 462309371 /nfs/dbraw/zinc/30/93/71/462309371.db2.gz BGXSQCLZWWLXOB-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2ccncc2s1 ZINC000657926213 462320237 /nfs/dbraw/zinc/32/02/37/462320237.db2.gz RKPUVHKQAKHLIR-JQFCIGGWSA-N 2 0 345.512 3.325 20 0 EGADRP c1cc(-c2ccc(N3CCCC3)nc2)ccc1CC[NH+]1CCOCC1 ZINC000665147459 462328121 /nfs/dbraw/zinc/32/81/21/462328121.db2.gz MWBCNUJSCDXXMU-UHFFFAOYSA-N 2 0 337.467 3.224 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000658068067 462364410 /nfs/dbraw/zinc/36/44/10/462364410.db2.gz BOFIRQVOAKELLQ-JZXOWHBKSA-N 2 0 335.923 3.486 20 0 EGADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000658164950 462414342 /nfs/dbraw/zinc/41/43/42/462414342.db2.gz GUOOBQVVXXWBDW-FQEVSTJZSA-N 2 0 331.504 3.088 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCSCC1 ZINC000658168884 462416212 /nfs/dbraw/zinc/41/62/12/462416212.db2.gz ZWGACRLYKAQJGD-MRXNPFEDSA-N 2 0 333.545 3.415 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+]C3CCC4(CCCO4)CC3)CC2)ccn1 ZINC000658168423 462416641 /nfs/dbraw/zinc/41/66/41/462416641.db2.gz XAIYPOOQCCJNHR-UHFFFAOYSA-N 2 0 343.515 3.375 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532031 462431047 /nfs/dbraw/zinc/43/10/47/462431047.db2.gz TWGPQEAHHQIRTQ-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000658213763 462431180 /nfs/dbraw/zinc/43/11/80/462431180.db2.gz TYRSCWXPBGDKPJ-OAHLLOKOSA-N 2 0 342.487 3.089 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000658356097 462488582 /nfs/dbraw/zinc/48/85/82/462488582.db2.gz GYKKHJDIVNMHEX-OAHLLOKOSA-N 2 0 330.472 3.230 20 0 EGADRP c1ccc(CN2CCC[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000658355466 462488720 /nfs/dbraw/zinc/48/87/20/462488720.db2.gz IVAIWDHEZHJVGB-JOCHJYFZSA-N 2 0 341.543 3.363 20 0 EGADRP C[N@H+](CCOc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746878 522903371 /nfs/dbraw/zinc/90/33/71/522903371.db2.gz LDCRKIQQWODTNM-YIONKMFJSA-N 2 0 339.277 3.043 20 0 EGADRP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1)C(C)C ZINC000174470414 527815765 /nfs/dbraw/zinc/81/57/65/527815765.db2.gz PHGYNVRUYYNSDC-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187088500 528118943 /nfs/dbraw/zinc/11/89/43/528118943.db2.gz QMUWPBLGILYHOB-INIZCTEOSA-N 2 0 331.504 3.196 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000132408779 529014772 /nfs/dbraw/zinc/01/47/72/529014772.db2.gz MRDCYJPHUXLXPC-ICSRJNTNSA-N 2 0 331.548 3.214 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187857082 529148057 /nfs/dbraw/zinc/14/80/57/529148057.db2.gz NOHVBKGUQHYGTH-SJORKVTESA-N 2 0 337.939 3.307 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000187159941 529148624 /nfs/dbraw/zinc/14/86/24/529148624.db2.gz UCPMGILRVXKPIS-TZIWHRDSSA-N 2 0 331.548 3.117 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000154252488 529161406 /nfs/dbraw/zinc/16/14/06/529161406.db2.gz UTKGBCQJTJLOED-GOSISDBHSA-N 2 0 325.447 3.033 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000344664848 535165338 /nfs/dbraw/zinc/16/53/38/535165338.db2.gz IJRPSZJHIDFWEJ-UHFFFAOYSA-N 2 0 331.287 3.318 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000344849910 535593580 /nfs/dbraw/zinc/59/35/80/535593580.db2.gz WCZIZBMSFREZOX-IEBWSBKVSA-N 2 0 343.519 3.336 20 0 EGADRP COc1ccc(C(=O)CC[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000351717978 536682587 /nfs/dbraw/zinc/68/25/87/536682587.db2.gz GYXHHFDHBNTIAU-UHFFFAOYSA-N 2 0 332.488 3.322 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](Nc3cc[nH+]cc3C)C2)cc(OC)c1 ZINC000192676683 536772281 /nfs/dbraw/zinc/77/22/81/536772281.db2.gz FRTGZXXSNKDPJH-INIZCTEOSA-N 2 0 327.428 3.094 20 0 EGADRP C[C@@H]([NH2+]CCOc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000089516697 546645153 /nfs/dbraw/zinc/64/51/53/546645153.db2.gz DVSRFDGXFYTRCZ-CYBMUJFWSA-N 2 0 341.293 3.148 20 0 EGADRP C[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000090450662 546657917 /nfs/dbraw/zinc/65/79/17/546657917.db2.gz MGLPOWRWPIWXDZ-LLVKDONJSA-N 2 0 332.275 3.087 20 0 EGADRP Cc1cc(C)c(NC(=O)CCC[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000137413806 546845204 /nfs/dbraw/zinc/84/52/04/546845204.db2.gz JMEZBHMXTNJROW-GOSISDBHSA-N 2 0 331.504 3.214 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)CC1 ZINC000152647656 546872945 /nfs/dbraw/zinc/87/29/45/546872945.db2.gz RKHCWTRKJVXIJD-UHFFFAOYSA-N 2 0 346.515 3.207 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000153395681 546879668 /nfs/dbraw/zinc/87/96/68/546879668.db2.gz KLERXPWKXGNGJW-PXNSSMCTSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(Br)s1)C1CC[NH+](C)CC1 ZINC000154195431 546888774 /nfs/dbraw/zinc/88/87/74/546888774.db2.gz ISSUWMQEOZKKQA-LLVKDONJSA-N 2 0 331.323 3.373 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC[NH+](C)CC1 ZINC000157532320 546921331 /nfs/dbraw/zinc/92/13/31/546921331.db2.gz WVQUCULPDDFAEQ-KRWDZBQOSA-N 2 0 339.483 3.481 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000165990240 546987554 /nfs/dbraw/zinc/98/75/54/546987554.db2.gz RYKKWGIZDZWRRB-ZVDOUQERSA-N 2 0 343.515 3.049 20 0 EGADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000180046435 547052084 /nfs/dbraw/zinc/05/20/84/547052084.db2.gz YHUMAKWSZNNRIH-OAGGEKHMSA-N 2 0 342.487 3.178 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000248445667 547299037 /nfs/dbraw/zinc/29/90/37/547299037.db2.gz CESUCOOTVHRDNV-SLFFLAALSA-N 2 0 328.500 3.039 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000248449318 547299218 /nfs/dbraw/zinc/29/92/18/547299218.db2.gz ONEMDZNSHVHFDO-TZIWHRDSSA-N 2 0 340.442 3.169 20 0 EGADRP Cc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000280566172 547373414 /nfs/dbraw/zinc/37/34/14/547373414.db2.gz LHEUQGKVALRRJX-BAGYTPMASA-N 2 0 335.495 3.433 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000324142402 547471649 /nfs/dbraw/zinc/47/16/49/547471649.db2.gz KRVNXQYXMDQOEO-QGZVFWFLSA-N 2 0 333.520 3.150 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339065409 547567381 /nfs/dbraw/zinc/56/73/81/547567381.db2.gz BHNVRNTUYVAAOD-MSOLQXFVSA-N 3 0 333.545 3.177 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339073988 547568537 /nfs/dbraw/zinc/56/85/37/547568537.db2.gz HOMPOABNAHLMFJ-OALUTQOASA-N 2 0 332.463 3.090 20 0 EGADRP Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000339278995 547574794 /nfs/dbraw/zinc/57/47/94/547574794.db2.gz NSKCZVDBVQLAAN-QGZVFWFLSA-N 2 0 347.503 3.138 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000352089165 547680227 /nfs/dbraw/zinc/68/02/27/547680227.db2.gz HZAKMFQQEJNDTO-LNLFQRSKSA-N 2 0 348.535 3.016 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385723556 547822644 /nfs/dbraw/zinc/82/26/44/547822644.db2.gz JMSHXLUYZJPBDC-RTWAWAEBSA-N 2 0 340.515 3.410 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000390591083 547828672 /nfs/dbraw/zinc/82/86/72/547828672.db2.gz PGPNDNKTDAVXSJ-BVOGOJNSSA-N 2 0 329.532 3.407 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC(F)(F)[C@H]3O)CC2)C1 ZINC000414310182 547856146 /nfs/dbraw/zinc/85/61/46/547856146.db2.gz ZJBUJVWQNQSWAA-XBVQOTNRSA-N 2 0 330.463 3.168 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000414936009 547861948 /nfs/dbraw/zinc/86/19/48/547861948.db2.gz YYWXVIYYJPAAOT-IXDOHACOSA-N 2 0 338.879 3.257 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000414946806 547862776 /nfs/dbraw/zinc/86/27/76/547862776.db2.gz KDXUJZWJPMGSBQ-AAEUAGOBSA-N 2 0 334.261 3.227 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3scnc3C3CC3)CC2)C[C@H](C)O1 ZINC000494987147 547994861 /nfs/dbraw/zinc/99/48/61/547994861.db2.gz SIZMJPNQFLVCJV-GASCZTMLSA-N 2 0 349.544 3.342 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000671302405 548275460 /nfs/dbraw/zinc/27/54/60/548275460.db2.gz OEZMQCBJVKOWRD-NRFANRHFSA-N 2 0 346.515 3.454 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742153 548971424 /nfs/dbraw/zinc/97/14/24/548971424.db2.gz KTTFJXVKNKRLEW-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000675818760 548988151 /nfs/dbraw/zinc/98/81/51/548988151.db2.gz LAOPXNGTDOIQHT-QGZVFWFLSA-N 3 0 333.520 3.010 20 0 EGADRP COc1ccc2[nH]cc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)c2c1 ZINC000675877836 548995181 /nfs/dbraw/zinc/99/51/81/548995181.db2.gz LNYCNMICAQPCIC-UHFFFAOYSA-N 2 0 327.472 3.183 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000675924877 549006276 /nfs/dbraw/zinc/00/62/76/549006276.db2.gz ZHMGPSZJTZTBOV-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP C[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000677944449 549363432 /nfs/dbraw/zinc/36/34/32/549363432.db2.gz HYQGFBOYMWYTQD-BRWVUGGUSA-N 2 0 347.503 3.217 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000678139325 549407810 /nfs/dbraw/zinc/40/78/10/549407810.db2.gz RLMOOVDRDYDXRV-UHFFFAOYSA-N 2 0 341.503 3.211 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000678139003 549407915 /nfs/dbraw/zinc/40/79/15/549407915.db2.gz JDKKEGFQHORMED-UHFFFAOYSA-N 2 0 346.906 3.358 20 0 EGADRP c1ccc(C2CC2)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000678223872 549429917 /nfs/dbraw/zinc/42/99/17/549429917.db2.gz MWNZMYWZPPFYHZ-UHFFFAOYSA-N 2 0 328.500 3.498 20 0 EGADRP Fc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)ccc1Cl ZINC000678608954 549531486 /nfs/dbraw/zinc/53/14/86/549531486.db2.gz DHMOUJOGYXRYCE-KKUMJFAQSA-N 2 0 337.870 3.274 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679143776 549643999 /nfs/dbraw/zinc/64/39/99/549643999.db2.gz ZTEWSSRLFXMCBL-YJBOKZPZSA-N 2 0 333.545 3.438 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000679366247 549696553 /nfs/dbraw/zinc/69/65/53/549696553.db2.gz SXSZTCCYXACKBG-UKRRQHHQSA-N 2 0 339.886 3.378 20 0 EGADRP Cc1ccc([C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CCC2)o1 ZINC000680465004 549868626 /nfs/dbraw/zinc/86/86/26/549868626.db2.gz MXKSJXDJFKFCFZ-XLIONFOSSA-N 2 0 331.504 3.187 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000681758114 550033838 /nfs/dbraw/zinc/03/38/38/550033838.db2.gz BWIGPLUYKJFZAR-FQEVSTJZSA-N 2 0 332.488 3.018 20 0 EGADRP COc1cc(C)c([C@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000682071520 550068088 /nfs/dbraw/zinc/06/80/88/550068088.db2.gz OWCMNJQVAVAXMN-RBUKOAKNSA-N 2 0 345.531 3.085 20 0 EGADRP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682408932 550095802 /nfs/dbraw/zinc/09/58/02/550095802.db2.gz DKUGEOMSTKUKCP-LVCYWYKZSA-N 2 0 346.515 3.143 20 0 EGADRP CCc1[nH+]c2ccccc2c(NCC[NH+]2CCC(OC)CC2)c1C ZINC000684890771 550381057 /nfs/dbraw/zinc/38/10/57/550381057.db2.gz HDURLCGWPPGANR-UHFFFAOYSA-N 2 0 327.472 3.050 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1-n1cncn1 ZINC000685456733 550418326 /nfs/dbraw/zinc/41/83/26/550418326.db2.gz RBVYLBXUSCJOOK-UHFFFAOYSA-N 2 0 349.482 3.351 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000685466742 550420724 /nfs/dbraw/zinc/42/07/24/550420724.db2.gz RCLIBHFWYURWCR-UHFFFAOYSA-N 2 0 325.456 3.187 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470393 550420942 /nfs/dbraw/zinc/42/09/42/550420942.db2.gz LJCVQAGQYJHYBI-BEFAXECRSA-N 2 0 346.906 3.357 20 0 EGADRP CCCC[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000685612196 550432903 /nfs/dbraw/zinc/43/29/03/550432903.db2.gz OZCHTLCETJZNJZ-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)CCCC[NH+]2CCCC2)c1 ZINC000729371839 574847557 /nfs/dbraw/zinc/84/75/57/574847557.db2.gz LYJFCPYYZAYKTL-UHFFFAOYSA-N 2 0 345.531 3.151 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000729525181 574868055 /nfs/dbraw/zinc/86/80/55/574868055.db2.gz GBIQUUXZPQVERB-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693713383 1298150510 /nfs/dbraw/zinc/15/05/10/1298150510.db2.gz OBDBXGJOXBSQEA-AYZHRIAMSA-N 2 0 341.543 3.263 20 0 EGADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000693674438 1298151071 /nfs/dbraw/zinc/15/10/71/1298151071.db2.gz LGBWDDGZLGTAKA-HBMCJLEFSA-N 3 0 341.543 3.265 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000698105719 1298168069 /nfs/dbraw/zinc/16/80/69/1298168069.db2.gz PJBXKJTYRTYUQD-UHFFFAOYSA-N 2 0 341.540 3.486 20 0 EGADRP CCC[C@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000782294297 1304949610 /nfs/dbraw/zinc/94/96/10/1304949610.db2.gz OMCZUWKBPSQOOP-IBGZPJMESA-N 2 0 337.552 3.427 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000048709882 1291617869 /nfs/dbraw/zinc/61/78/69/1291617869.db2.gz PPQRCMZYRKVBSD-UHFFFAOYSA-N 2 0 326.440 3.199 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc(O)c2)cc1 ZINC000061052144 1291957993 /nfs/dbraw/zinc/95/79/93/1291957993.db2.gz SQRXIKHYNQLDTN-UHFFFAOYSA-N 2 0 328.456 3.403 20 0 EGADRP Brc1ccsc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200288 1292003001 /nfs/dbraw/zinc/00/30/01/1292003001.db2.gz ZYUWJGJMEPWESD-CYBMUJFWSA-N 2 0 329.307 3.475 20 0 EGADRP CC(C)Oc1ccccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067453122 1292161034 /nfs/dbraw/zinc/16/10/34/1292161034.db2.gz SMWYIEUUBDZWJX-QZTJIDSGSA-N 2 0 334.504 3.453 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000071825228 1292269269 /nfs/dbraw/zinc/26/92/69/1292269269.db2.gz MCEARLKATVKQMN-HNNXBMFYSA-N 2 0 338.455 3.265 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CC[NH+](CCCCO)CC3)c2c1 ZINC000827675732 1292356216 /nfs/dbraw/zinc/35/62/16/1292356216.db2.gz XUTKZELNQFDAPA-UHFFFAOYSA-N 2 0 327.472 3.082 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000075734194 1292408459 /nfs/dbraw/zinc/40/84/59/1292408459.db2.gz PJAMXWMTOBTNTR-QGZVFWFLSA-N 2 0 325.456 3.407 20 0 EGADRP C[C@]1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000828748255 1292494609 /nfs/dbraw/zinc/49/46/09/1292494609.db2.gz DZKPDKMNJBHZMB-MRXNPFEDSA-N 2 0 349.346 3.395 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093844595 1292935917 /nfs/dbraw/zinc/93/59/17/1292935917.db2.gz GIJNHNDBVNPPKH-HNNXBMFYSA-N 2 0 349.544 3.324 20 0 EGADRP C[C@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)N1CC[NH+](C)CC1 ZINC000105467149 1293038800 /nfs/dbraw/zinc/03/88/00/1293038800.db2.gz RZCQKZKQIKKNLI-GOSISDBHSA-N 2 0 339.483 3.204 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107279987 1293063516 /nfs/dbraw/zinc/06/35/16/1293063516.db2.gz VUSYYVNQTZURIO-LJQANCHMSA-N 2 0 347.503 3.220 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834530052 1293111885 /nfs/dbraw/zinc/11/18/85/1293111885.db2.gz AAWNIIDUKTURCJ-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP Cn1nc(C(F)(F)F)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1Cl ZINC000835064826 1293197685 /nfs/dbraw/zinc/19/76/85/1293197685.db2.gz ZPBOPQQFRKEQNK-UHFFFAOYSA-N 2 0 338.805 3.056 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000132184212 1293712384 /nfs/dbraw/zinc/71/23/84/1293712384.db2.gz JBQRVAQWCJAMOU-INIZCTEOSA-N 2 0 348.450 3.290 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2CC(=O)OC)CC1 ZINC000132668945 1293725746 /nfs/dbraw/zinc/72/57/46/1293725746.db2.gz FXTGKKFJQQVSDM-UHFFFAOYSA-N 2 0 346.515 3.346 20 0 EGADRP O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919316 1293784369 /nfs/dbraw/zinc/78/43/69/1293784369.db2.gz UVIGTHZCDGJDPI-YLJYHZDGSA-N 2 0 347.547 3.164 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000157163361 1294170004 /nfs/dbraw/zinc/17/00/04/1294170004.db2.gz VDYKCDVZWMOEFE-PZJWPPBQSA-N 2 0 344.499 3.208 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000158228478 1294200217 /nfs/dbraw/zinc/20/02/17/1294200217.db2.gz OGCOZTIXSSOACR-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C3([NH+](C)C)CCC3)c2)CC1 ZINC000158836702 1294216240 /nfs/dbraw/zinc/21/62/40/1294216240.db2.gz YREJNJJKMQGYRZ-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000161631484 1294296194 /nfs/dbraw/zinc/29/61/94/1294296194.db2.gz XCRDAONUQKPMCV-UHFFFAOYSA-N 2 0 344.547 3.185 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(C)oc3C)cc2)CC1 ZINC000163590048 1294336651 /nfs/dbraw/zinc/33/66/51/1294336651.db2.gz XLCHEQLSGKJFLU-UHFFFAOYSA-N 2 0 341.499 3.324 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000164591658 1294349688 /nfs/dbraw/zinc/34/96/88/1294349688.db2.gz OMZXYDYZAABAJF-AHRSYUTCSA-N 2 0 343.515 3.195 20 0 EGADRP O=C(Nc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1ccco1 ZINC000166071813 1294361131 /nfs/dbraw/zinc/36/11/31/1294361131.db2.gz JVVVSPIMZPLUBM-SJLPKXTDSA-N 2 0 339.439 3.248 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172799863 1294444766 /nfs/dbraw/zinc/44/47/66/1294444766.db2.gz BVEXQMBTLYGYHQ-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000173348457 1294460281 /nfs/dbraw/zinc/46/02/81/1294460281.db2.gz LNSFRDQTOAZJST-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)nc3)cc2)C[C@@H](C)O1 ZINC000188980541 1295493433 /nfs/dbraw/zinc/49/34/33/1295493433.db2.gz PJQJDNYYEYAXGI-HZPDHXFCSA-N 2 0 343.446 3.120 20 0 EGADRP C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190334006 1295583502 /nfs/dbraw/zinc/58/35/02/1295583502.db2.gz RNSZQWQOYKQFAJ-SJLPKXTDSA-N 2 0 336.520 3.162 20 0 EGADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000870865593 1296121624 /nfs/dbraw/zinc/12/16/24/1296121624.db2.gz DSUVRADUIDEMLW-ZTFGCOKTSA-N 2 0 349.906 3.111 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000226336557 1296138605 /nfs/dbraw/zinc/13/86/05/1296138605.db2.gz NLMXJHULBDMERA-HZPDHXFCSA-N 2 0 327.513 3.142 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000236977651 1296214640 /nfs/dbraw/zinc/21/46/40/1296214640.db2.gz FLRLSQGXGGBCOL-QGZVFWFLSA-N 2 0 327.472 3.062 20 0 EGADRP Cn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)cn1 ZINC000237155676 1296224016 /nfs/dbraw/zinc/22/40/16/1296224016.db2.gz CDTBFUMKEFAHOW-UHFFFAOYSA-N 2 0 326.488 3.474 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247670423 1296399289 /nfs/dbraw/zinc/39/92/89/1296399289.db2.gz ZILXDBMYRRTDGV-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1C[NH+]1CCCCC1 ZINC000250050140 1296453948 /nfs/dbraw/zinc/45/39/48/1296453948.db2.gz LTCJBILQMWREGZ-CWFSZBLJSA-N 2 0 346.515 3.491 20 0 EGADRP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC000262066575 1296616719 /nfs/dbraw/zinc/61/67/19/1296616719.db2.gz BHZBCUKYZMHZSC-OAHLLOKOSA-N 2 0 345.487 3.034 20 0 EGADRP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000262066574 1296616960 /nfs/dbraw/zinc/61/69/60/1296616960.db2.gz BHZBCUKYZMHZSC-HNNXBMFYSA-N 2 0 345.487 3.034 20 0 EGADRP C[C@@H](CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000262890227 1296650429 /nfs/dbraw/zinc/65/04/29/1296650429.db2.gz AFDNMNCJIHOAQR-AAEUAGOBSA-N 2 0 343.393 3.128 20 0 EGADRP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156391 1296776020 /nfs/dbraw/zinc/77/60/20/1296776020.db2.gz IVTOOUAKGARGHV-YLJYHZDGSA-N 2 0 343.515 3.166 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000301962850 1296795727 /nfs/dbraw/zinc/79/57/27/1296795727.db2.gz PNUJLPBIYYMCMV-IRXDYDNUSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000304597181 1296932571 /nfs/dbraw/zinc/93/25/71/1296932571.db2.gz LUFLHKNMKNHRRL-UHFFFAOYSA-N 2 0 327.513 3.142 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000310045492 1297084220 /nfs/dbraw/zinc/08/42/20/1297084220.db2.gz ZEWYUGNIPLLWDQ-SJORKVTESA-N 2 0 341.540 3.390 20 0 EGADRP CCON1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000323129348 1297195153 /nfs/dbraw/zinc/19/51/53/1297195153.db2.gz PYVIBLYTQXDENW-HXUWFJFHSA-N 2 0 345.531 3.294 20 0 EGADRP C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000324898097 1297217413 /nfs/dbraw/zinc/21/74/13/1297217413.db2.gz VAXZIHKYIMWPNO-RHSMWYFYSA-N 2 0 349.500 3.052 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340469822 1297313381 /nfs/dbraw/zinc/31/33/81/1297313381.db2.gz MJDBFTWWXJWSCK-NEWSRXKRSA-N 2 0 333.524 3.252 20 0 EGADRP CC[C@H](O)C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873207700 1297352773 /nfs/dbraw/zinc/35/27/73/1297352773.db2.gz OHVASDUWNAIQDK-KRWDZBQOSA-N 2 0 330.497 3.167 20 0 EGADRP OCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCCc2ccccc21 ZINC000873206316 1297353857 /nfs/dbraw/zinc/35/38/57/1297353857.db2.gz ZNJDWEGFIUPMEV-LJQANCHMSA-N 2 0 342.508 3.266 20 0 EGADRP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000873232652 1297374894 /nfs/dbraw/zinc/37/48/94/1297374894.db2.gz UTCRAKYQYFPWIL-VBQJREDUSA-N 2 0 337.533 3.316 20 0 EGADRP Fc1ccc(-n2cc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)cn2)cc1 ZINC000873232847 1297374953 /nfs/dbraw/zinc/37/49/53/1297374953.db2.gz OMTIJTUPJBDABR-IBGZPJMESA-N 2 0 342.462 3.413 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1Cn1cccn1 ZINC000873240271 1297381325 /nfs/dbraw/zinc/38/13/25/1297381325.db2.gz MWXBGDTZAQEPNI-BXWFABGCSA-N 2 0 342.487 3.108 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260097 1297394092 /nfs/dbraw/zinc/39/40/92/1297394092.db2.gz SCNDGEMWKBHAON-XYVMCAHJSA-N 2 0 329.488 3.086 20 0 EGADRP Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873262147 1297396731 /nfs/dbraw/zinc/39/67/31/1297396731.db2.gz VVTOBNRONYGASP-HNKHHVNMSA-N 2 0 349.316 3.427 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2[nH]c(=O)oc2c1 ZINC000873265500 1297398884 /nfs/dbraw/zinc/39/88/84/1297398884.db2.gz VVGMHQJNWYVRIJ-MJXUCMMTSA-N 2 0 329.444 3.351 20 0 EGADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000873281902 1297407252 /nfs/dbraw/zinc/40/72/52/1297407252.db2.gz QNCFKQIRCQNXIT-JJRVBVJISA-N 2 0 349.316 3.458 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290899 1297412692 /nfs/dbraw/zinc/41/26/92/1297412692.db2.gz BQJJBUWMZUIUNR-QRVBRYPASA-N 2 0 343.515 3.165 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c1 ZINC000873293299 1297415961 /nfs/dbraw/zinc/41/59/61/1297415961.db2.gz YVZTWIPRBPCCAW-WOJBJXKFSA-N 2 0 328.500 3.064 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1C ZINC000873293780 1297416023 /nfs/dbraw/zinc/41/60/23/1297416023.db2.gz PDOYLXPPIDKENG-IRXDYDNUSA-N 2 0 332.488 3.121 20 0 EGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000379616588 1297535160 /nfs/dbraw/zinc/53/51/60/1297535160.db2.gz CPKPLIQMBQKDSY-OXJNMPFZSA-N 2 0 330.447 3.359 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000379899362 1297542880 /nfs/dbraw/zinc/54/28/80/1297542880.db2.gz IFSFEPGSOJFWOX-BRWVUGGUSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396466134 1297687618 /nfs/dbraw/zinc/68/76/18/1297687618.db2.gz SWJLLAHKMRLEHD-CVEARBPZSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000396456552 1297688949 /nfs/dbraw/zinc/68/89/49/1297688949.db2.gz NDSLLMRHLNUIOB-SFHVURJKSA-N 2 0 329.532 3.013 20 0 EGADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559343 1297731049 /nfs/dbraw/zinc/73/10/49/1297731049.db2.gz HIUQLNUCYYRZKF-OWCLPIDISA-N 2 0 327.513 3.093 20 0 EGADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404381513 1297752311 /nfs/dbraw/zinc/75/23/11/1297752311.db2.gz LHUMLKJTRFHAFP-CEXWTWQISA-N 2 0 345.531 3.406 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000404542248 1297755670 /nfs/dbraw/zinc/75/56/70/1297755670.db2.gz RGVMZHXESSLASH-WCXIOVBPSA-N 2 0 349.519 3.039 20 0 EGADRP CN(Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)OC(C)(C)C ZINC000405277823 1297764363 /nfs/dbraw/zinc/76/43/63/1297764363.db2.gz AALSRGMGDUKEOB-IRXDYDNUSA-N 2 0 347.503 3.269 20 0 EGADRP CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000686980846 1298118221 /nfs/dbraw/zinc/11/82/21/1298118221.db2.gz QTOFGNBLZLSULZ-MRXNPFEDSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000715559600 1298279988 /nfs/dbraw/zinc/27/99/88/1298279988.db2.gz UQZPZJZPHRCFNQ-LTIDMASMSA-N 2 0 339.524 3.285 20 0 EGADRP Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(-c2cc(F)ccc2F)n1 ZINC000876575992 1298840491 /nfs/dbraw/zinc/84/04/91/1298840491.db2.gz AIVFNOCZTLMJJL-UHFFFAOYSA-N 2 0 348.441 3.139 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876725173 1298938801 /nfs/dbraw/zinc/93/88/01/1298938801.db2.gz GPVACOPVEGDAAD-QUCCMNQESA-N 2 0 327.472 3.143 20 0 EGADRP CCOC(=O)N1CCC(C)(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)CC1 ZINC000876760055 1298966343 /nfs/dbraw/zinc/96/63/43/1298966343.db2.gz RUCVAWYFIVZARD-SJORKVTESA-N 2 0 339.524 3.050 20 0 EGADRP CSC1(C[NH2+][C@@H](C)CCOCc2ccccc2)CC[NH+](C)CC1 ZINC000877538879 1299379681 /nfs/dbraw/zinc/37/96/81/1299379681.db2.gz FYVLEGJHVDODGU-KRWDZBQOSA-N 2 0 336.545 3.399 20 0 EGADRP Cn1c(Cl)nc(Cl)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877683939 1299478182 /nfs/dbraw/zinc/47/81/82/1299478182.db2.gz CHDHORLWDAFIBA-UHFFFAOYSA-N 2 0 331.291 3.035 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCSC(C)(C)C)CC1 ZINC000878020765 1299709566 /nfs/dbraw/zinc/70/95/66/1299709566.db2.gz QAXRIHNBHRQRBM-QZTJIDSGSA-N 2 0 341.609 3.399 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878049067 1299726015 /nfs/dbraw/zinc/72/60/15/1299726015.db2.gz YDJLTRUZFWYSMD-LJQANCHMSA-N 2 0 338.536 3.014 20 0 EGADRP c1cc(N2CCCCC2)ccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000754785358 1300215266 /nfs/dbraw/zinc/21/52/66/1300215266.db2.gz KPGKYWKLKIQFGZ-TZIWHRDSSA-N 2 0 327.516 3.436 20 0 EGADRP C[NH+]1CCC([C@H]2CCN(Cn3nc(C(C)(C)C)oc3=S)C2)CC1 ZINC000755779627 1300396078 /nfs/dbraw/zinc/39/60/78/1300396078.db2.gz KZXPDMKMTGWPAV-AWEZNQCLSA-N 2 0 338.521 3.124 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000879250164 1300454469 /nfs/dbraw/zinc/45/44/69/1300454469.db2.gz OKKWWZAYAUSBOY-QGZVFWFLSA-N 2 0 340.870 3.320 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765141653 1302210754 /nfs/dbraw/zinc/21/07/54/1302210754.db2.gz MUNZQEFFLZUCKW-OAHLLOKOSA-N 2 0 343.471 3.168 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765351512 1302251864 /nfs/dbraw/zinc/25/18/64/1302251864.db2.gz SFRWRPVSHIKKEV-CABCVRRESA-N 2 0 331.460 3.024 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000765766976 1302322050 /nfs/dbraw/zinc/32/20/50/1302322050.db2.gz DFJGIUUUVVWFQW-OAHLLOKOSA-N 2 0 331.460 3.026 20 0 EGADRP COC(=O)CC1CCC([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000883387743 1302425642 /nfs/dbraw/zinc/42/56/42/1302425642.db2.gz DGISMVKXURWLRN-NKELODKYSA-N 2 0 341.455 3.336 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000883387854 1302425829 /nfs/dbraw/zinc/42/58/29/1302425829.db2.gz GMXLNZKLJKZDNA-RDJZCZTQSA-N 2 0 329.444 3.334 20 0 EGADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)C1CC1 ZINC000767410896 1302664861 /nfs/dbraw/zinc/66/48/61/1302664861.db2.gz GDGVESXVYHJJOY-NRFANRHFSA-N 2 0 326.484 3.344 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000884185847 1302766049 /nfs/dbraw/zinc/76/60/49/1302766049.db2.gz JQCNJEUAPBMBSD-IBGZPJMESA-N 2 0 345.531 3.085 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC1CC1)C1CCCCC1 ZINC000884198570 1302770198 /nfs/dbraw/zinc/77/01/98/1302770198.db2.gz AKFFHCAAIIFPGS-FQEVSTJZSA-N 2 0 343.515 3.195 20 0 EGADRP C(CCC[NH2+][C@@H]1CCOC2(CCOCC2)C1)CCC[NH+]1CCCC1 ZINC000885969550 1303303574 /nfs/dbraw/zinc/30/35/74/1303303574.db2.gz VUQIKUGHDLYTLC-LJQANCHMSA-N 2 0 338.536 3.351 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000885970481 1303304013 /nfs/dbraw/zinc/30/40/13/1303304013.db2.gz AEYXPBREVDGLIY-UHFFFAOYSA-N 2 0 333.863 3.008 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C[C@H](C(C)C)CC2=O)CC1)CC1CC1 ZINC000770685416 1303306167 /nfs/dbraw/zinc/30/61/67/1303306167.db2.gz OLBXAQUPIQFYCN-HXUWFJFHSA-N 2 0 349.563 3.282 20 0 EGADRP C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000886104494 1303355570 /nfs/dbraw/zinc/35/55/70/1303355570.db2.gz DGTRVSGNFRHQRC-IEBWSBKVSA-N 2 0 336.520 3.101 20 0 EGADRP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886632965 1303533549 /nfs/dbraw/zinc/53/35/49/1303533549.db2.gz KMZZYWQMHPINED-NCYVPVAZSA-N 2 0 343.515 3.149 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000886870386 1303621375 /nfs/dbraw/zinc/62/13/75/1303621375.db2.gz XHBISWHONMDAJJ-SFHVURJKSA-N 2 0 335.879 3.134 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCn2ccnc2C)ccc1OC ZINC000775382474 1303951346 /nfs/dbraw/zinc/95/13/46/1303951346.db2.gz OQYSVCSLZNTOJY-INIZCTEOSA-N 2 0 344.503 3.393 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(C)c1 ZINC000776252709 1304120827 /nfs/dbraw/zinc/12/08/27/1304120827.db2.gz HGHWDDSCLOEUPM-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000782185496 1304927172 /nfs/dbraw/zinc/92/71/72/1304927172.db2.gz XRTUKEFUOLTOEX-NQIIRXRSSA-N 2 0 329.532 3.313 20 0 EGADRP CCC(CC)(CNC(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000891550430 1305088379 /nfs/dbraw/zinc/08/83/79/1305088379.db2.gz VFYKRMHXJFCORJ-JFIYKMOQSA-N 2 0 346.519 3.027 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC1CC[NH+](C)CC1 ZINC000893103169 1305708060 /nfs/dbraw/zinc/70/80/60/1305708060.db2.gz MCPIAJVKXRCUMW-QZTJIDSGSA-N 3 0 329.532 3.074 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H]2CCc3ccccc32)c2ccccc2)CC1 ZINC000788445760 1305942588 /nfs/dbraw/zinc/94/25/88/1305942588.db2.gz IRLHWVKJTBATDH-GMAHTHKFSA-N 2 0 349.522 3.295 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000788479633 1305952430 /nfs/dbraw/zinc/95/24/30/1305952430.db2.gz XVPZMZPWZVDVCD-IAGOWNOFSA-N 2 0 343.298 3.225 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000788489425 1305955369 /nfs/dbraw/zinc/95/53/69/1305955369.db2.gz PCLMKUCGTGZYMN-SFHVURJKSA-N 2 0 345.535 3.374 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788816565 1306022024 /nfs/dbraw/zinc/02/20/24/1306022024.db2.gz SYRZDKZSSTZKMT-JXFKEZNVSA-N 2 0 325.456 3.350 20 0 EGADRP CCn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000894002245 1306172672 /nfs/dbraw/zinc/17/26/72/1306172672.db2.gz OHDSNXPFOUYQGI-UHFFFAOYSA-N 2 0 326.488 3.344 20 0 EGADRP C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894074556 1306203975 /nfs/dbraw/zinc/20/39/75/1306203975.db2.gz SILHXQDMFHKQJT-QGZVFWFLSA-N 2 0 338.499 3.087 20 0 EGADRP CC(C)(C)[C@@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364164 1306308079 /nfs/dbraw/zinc/30/80/79/1306308079.db2.gz FAZCNVVRULTQOV-UZLBHIALSA-N 2 0 349.519 3.009 20 0 EGADRP COC(=O)c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000894319818 1306341789 /nfs/dbraw/zinc/34/17/89/1306341789.db2.gz FUYOXPSWDDVACS-UHFFFAOYSA-N 2 0 336.501 3.421 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790534174 1306346033 /nfs/dbraw/zinc/34/60/33/1306346033.db2.gz UTBJXRGIXJWYEM-UHFFFAOYSA-N 2 0 332.879 3.016 20 0 EGADRP COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000895075045 1309182011 /nfs/dbraw/zinc/18/20/11/1309182011.db2.gz PIKRKXQVUGQZKM-QBUWPKIASA-N 2 0 336.520 3.493 20 0 EGADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895377176 1309304426 /nfs/dbraw/zinc/30/44/26/1309304426.db2.gz KJCOIYZMWNUYOK-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)cc1 ZINC000895657888 1309450301 /nfs/dbraw/zinc/45/03/01/1309450301.db2.gz GQNNSEYQWWVGAK-FQEVSTJZSA-N 2 0 342.483 3.229 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795903959 1309857863 /nfs/dbraw/zinc/85/78/63/1309857863.db2.gz ROKPYAUKZDWUGG-IAGOWNOFSA-N 2 0 338.536 3.266 20 0 EGADRP COc1cc2c(NC[C@@H]3CC[N@@H+]3C3CCOCC3)cc[nH+]c2cc1F ZINC000896521020 1309899876 /nfs/dbraw/zinc/89/98/76/1309899876.db2.gz BMFKOTRCBYQBCA-AWEZNQCLSA-N 2 0 345.418 3.048 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000897006825 1310132318 /nfs/dbraw/zinc/13/23/18/1310132318.db2.gz UUYPYGGNOBZTQR-IEBWSBKVSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857278898 1328525821 /nfs/dbraw/zinc/52/58/21/1328525821.db2.gz XBBTWASISZVVLZ-LJQANCHMSA-N 2 0 345.531 3.346 20 0 EGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857281345 1328526057 /nfs/dbraw/zinc/52/60/57/1328526057.db2.gz YFWPRTBNGPDWAT-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801915281 1316964812 /nfs/dbraw/zinc/96/48/12/1316964812.db2.gz LWBABDIAASXPCV-IAGOWNOFSA-N 2 0 327.582 3.009 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019076130 1317035843 /nfs/dbraw/zinc/03/58/43/1317035843.db2.gz NAOWBNGVVVIXEZ-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001019151182 1317072450 /nfs/dbraw/zinc/07/24/50/1317072450.db2.gz MSTJLMJVDCHDPD-AEFFLSMTSA-N 2 0 348.450 3.208 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001019274661 1317141057 /nfs/dbraw/zinc/14/10/57/1317141057.db2.gz JRIGSECWZHVAKF-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CC(C)C2)C1 ZINC000957117913 1317196862 /nfs/dbraw/zinc/19/68/62/1317196862.db2.gz MDHPYPZADBDHHU-AFMYVXGZSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001019632228 1317311535 /nfs/dbraw/zinc/31/15/35/1317311535.db2.gz FNDZEZZZVKLNAB-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)c1 ZINC000900650591 1317318498 /nfs/dbraw/zinc/31/84/98/1317318498.db2.gz CRFBKBWZDRKBTB-VQTJNVASSA-N 2 0 343.515 3.160 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560190 1317457891 /nfs/dbraw/zinc/45/78/91/1317457891.db2.gz TZEOZKZYBZAUGR-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000806144848 1317465138 /nfs/dbraw/zinc/46/51/38/1317465138.db2.gz WAOQBOPNXZGNNB-KNIAUWFNSA-N 2 0 334.426 3.483 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2)[NH+](C)C ZINC000957598822 1317488297 /nfs/dbraw/zinc/48/82/97/1317488297.db2.gz NPUPXJSOUZZRDC-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605728 1317492603 /nfs/dbraw/zinc/49/26/03/1317492603.db2.gz LAVZXYSXRUKHQA-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000957689376 1317557052 /nfs/dbraw/zinc/55/70/52/1317557052.db2.gz BAQSIZTVPPBCBS-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)C2)c1 ZINC000902327111 1317564391 /nfs/dbraw/zinc/56/43/91/1317564391.db2.gz DSQCFOPMHOLQSK-SJORKVTESA-N 2 0 331.504 3.032 20 0 EGADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902336298 1317565593 /nfs/dbraw/zinc/56/55/93/1317565593.db2.gz XJUJVWBDLNDFLW-GOSISDBHSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(O[C@@H]2CCOC2)c1 ZINC000902344768 1317566360 /nfs/dbraw/zinc/56/63/60/1317566360.db2.gz FUTLAYJAYMEELI-QZTJIDSGSA-N 2 0 332.488 3.031 20 0 EGADRP C[C@H]1C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000902437500 1317578782 /nfs/dbraw/zinc/57/87/82/1317578782.db2.gz JOKYXKCCEHPLPQ-NTSGDEEZSA-N 2 0 335.495 3.254 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020239121 1317603915 /nfs/dbraw/zinc/60/39/15/1317603915.db2.gz OYPUEEHOIPMAOD-PWKSQPCKSA-N 2 0 349.563 3.312 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+](CC)C(C)C)CC2)C1 ZINC000957744361 1317609150 /nfs/dbraw/zinc/60/91/50/1317609150.db2.gz GZIYXMFKGIXNOK-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CCO[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000902793471 1317616594 /nfs/dbraw/zinc/61/65/94/1317616594.db2.gz IPYOSBMORWOZGY-AZUAARDMSA-N 2 0 334.504 3.107 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020302881 1317636149 /nfs/dbraw/zinc/63/61/49/1317636149.db2.gz WHEPBKGVUORXKD-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3c(s1)CCC3)C2 ZINC000903115711 1317655470 /nfs/dbraw/zinc/65/54/70/1317655470.db2.gz NZOBCDSHIKQAHM-XFUZISPGSA-N 2 0 348.556 3.367 20 0 EGADRP C[NH+](C)CCOc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903143093 1317662232 /nfs/dbraw/zinc/66/22/32/1317662232.db2.gz TXTWUNCJKRWVCV-JLYLLQBASA-N 2 0 329.488 3.197 20 0 EGADRP CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903192105 1317669492 /nfs/dbraw/zinc/66/94/92/1317669492.db2.gz IMNJASNVRWBQAH-ZXFUBFMLSA-N 2 0 336.520 3.492 20 0 EGADRP Cn1cnc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000808387265 1317669718 /nfs/dbraw/zinc/66/97/18/1317669718.db2.gz MTQPJHCALPQMFA-UHFFFAOYSA-N 2 0 332.879 3.075 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)cc1C[NH+]1CCCCC1 ZINC000903394386 1317696002 /nfs/dbraw/zinc/69/60/02/1317696002.db2.gz BFXMPCVATOVOPK-JTDSTZFVSA-N 2 0 332.488 3.367 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001020462714 1317707111 /nfs/dbraw/zinc/70/71/11/1317707111.db2.gz IVPZPJDEIHVTOO-VJANTYMQSA-N 2 0 349.563 3.314 20 0 EGADRP Brc1cncc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000903565687 1317707849 /nfs/dbraw/zinc/70/78/49/1317707849.db2.gz BOOZISWBSIOLMC-CJNGLKHVSA-N 2 0 338.293 3.371 20 0 EGADRP c1ccc(-c2n[nH]c(C3CC[NH+](C[C@H]4CCCC[NH2+]C4)CC3)n2)cc1 ZINC000903725663 1317725602 /nfs/dbraw/zinc/72/56/02/1317725602.db2.gz FHISNQVNCMIHGJ-INIZCTEOSA-N 2 0 339.487 3.041 20 0 EGADRP Fc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903728758 1317726124 /nfs/dbraw/zinc/72/61/24/1317726124.db2.gz GGBZMHJNGDWQON-MAUKXSAKSA-N 2 0 336.426 3.260 20 0 EGADRP Fc1ccc(C[N@H+](CC2CC2)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903729697 1317727296 /nfs/dbraw/zinc/72/72/96/1317727296.db2.gz QSDBPKPUTCKKPR-IBGZPJMESA-N 2 0 332.463 3.196 20 0 EGADRP Clc1ccc([C@H]2CC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729434 1317727343 /nfs/dbraw/zinc/72/73/43/1317727343.db2.gz MUTSFFSDVUOIJW-FUHWJXTLSA-N 2 0 334.891 3.288 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000903792735 1317734813 /nfs/dbraw/zinc/73/48/13/1317734813.db2.gz HZNAJHLGTZANHS-LJQANCHMSA-N 2 0 328.500 3.471 20 0 EGADRP Cc1ccc(C)c(NC(=O)CN2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000903814644 1317736445 /nfs/dbraw/zinc/73/64/45/1317736445.db2.gz OHNKRBXJRSGCRZ-SFHVURJKSA-N 2 0 329.488 3.225 20 0 EGADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2F)CCC1 ZINC000903816325 1317737973 /nfs/dbraw/zinc/73/79/73/1317737973.db2.gz YEFOIWWXONCHLD-KRWDZBQOSA-N 2 0 333.451 3.138 20 0 EGADRP [NH3+][C@@H](C[NH2+]CC1(c2ccccc2Br)CC1)CC(F)F ZINC000903923438 1317750825 /nfs/dbraw/zinc/75/08/25/1317750825.db2.gz UHRLZRHLCREQIB-SNVBAGLBSA-N 2 0 333.220 3.053 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]C[C@H]3CCCC[N@H+](C)C3)CC2)cc1 ZINC000858245270 1328721219 /nfs/dbraw/zinc/72/12/19/1328721219.db2.gz FYDGSIMLQZBFDD-GOSISDBHSA-N 3 0 344.547 3.043 20 0 EGADRP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000904092990 1317787367 /nfs/dbraw/zinc/78/73/67/1317787367.db2.gz FYYHKVUMDCMXQB-ZBFHGGJFSA-N 2 0 344.459 3.052 20 0 EGADRP C[C@@]1(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CCC[NH2+]C1 ZINC000904338502 1317832696 /nfs/dbraw/zinc/83/26/96/1317832696.db2.gz RMKXTVNVUUDWER-HXUWFJFHSA-N 2 0 340.471 3.306 20 0 EGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904364981 1317837275 /nfs/dbraw/zinc/83/72/75/1317837275.db2.gz UTPWMHPDGXBUMW-AEFFLSMTSA-N 2 0 332.536 3.350 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405498 1317843105 /nfs/dbraw/zinc/84/31/05/1317843105.db2.gz MCRLQOJNQOCZEM-HNNXBMFYSA-N 2 0 332.879 3.313 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406688 1317843279 /nfs/dbraw/zinc/84/32/79/1317843279.db2.gz YLUCIZDLUQTCDD-INIZCTEOSA-N 2 0 326.488 3.341 20 0 EGADRP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473343 1317851743 /nfs/dbraw/zinc/85/17/43/1317851743.db2.gz IGTLACUTWODGTN-ICSRJNTNSA-N 2 0 326.415 3.480 20 0 EGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccccc1C[NH3+] ZINC000904644405 1317874229 /nfs/dbraw/zinc/87/42/29/1317874229.db2.gz PVAJLNNDDPCARL-UHFFFAOYSA-N 2 0 332.492 3.312 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001020719591 1317885480 /nfs/dbraw/zinc/88/54/80/1317885480.db2.gz MUAOQQUTKOJGDC-MUGJNUQGSA-N 2 0 347.547 3.211 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001020719699 1317886041 /nfs/dbraw/zinc/88/60/41/1317886041.db2.gz PEWJCOVMZPRDHW-WTGUMLROSA-N 2 0 345.531 3.131 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)cc1 ZINC001020750683 1317904084 /nfs/dbraw/zinc/90/40/84/1317904084.db2.gz WQOYOHSGBOPRAD-WGSAOQKQSA-N 2 0 343.515 3.035 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020927654 1318001513 /nfs/dbraw/zinc/00/15/13/1318001513.db2.gz NPAKPOFWZYTJPX-UAFMIMERSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001021089958 1318078253 /nfs/dbraw/zinc/07/82/53/1318078253.db2.gz DODTWLYYKISGJC-YOQCTACHSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021399214 1318232868 /nfs/dbraw/zinc/23/28/68/1318232868.db2.gz DVFPWALMCODWBT-NXEWRWPSSA-N 2 0 347.547 3.161 20 0 EGADRP CCc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)c1 ZINC000960044402 1318327873 /nfs/dbraw/zinc/32/78/73/1318327873.db2.gz RENSENRHMRDRBH-VQTJNVASSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1F)[NH+](C)C ZINC000960130156 1318372305 /nfs/dbraw/zinc/37/23/05/1318372305.db2.gz GIDHGUJIEZEOAI-GJYPPUQNSA-N 2 0 349.494 3.198 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC000960156654 1318389490 /nfs/dbraw/zinc/38/94/90/1318389490.db2.gz OMCSWGZPAADGPI-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000960310741 1318454286 /nfs/dbraw/zinc/45/42/86/1318454286.db2.gz NOSTXOYOGIATQM-PWIZWCRZSA-N 2 0 343.515 3.031 20 0 EGADRP COC(=O)[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC(C)C ZINC000813332335 1318534837 /nfs/dbraw/zinc/53/48/37/1318534837.db2.gz VUNNHMRZYGKXDU-LJQANCHMSA-N 2 0 346.515 3.118 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700567 1318572583 /nfs/dbraw/zinc/57/25/83/1318572583.db2.gz RGDDEKDFXVTDPE-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)[C@H](C)C1 ZINC000910281985 1318594707 /nfs/dbraw/zinc/59/47/07/1318594707.db2.gz OQSPASWFQJIKNY-OAHLLOKOSA-N 2 0 343.471 3.051 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739202 1318648232 /nfs/dbraw/zinc/64/82/32/1318648232.db2.gz HJXVOLRJDVRZPB-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739200 1318648370 /nfs/dbraw/zinc/64/83/70/1318648370.db2.gz HJXVOLRJDVRZPB-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960687262 1318793000 /nfs/dbraw/zinc/79/30/00/1318793000.db2.gz ZKOFKMQANSQIJN-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000960687619 1318794210 /nfs/dbraw/zinc/79/42/10/1318794210.db2.gz LGXQHMCWVOCVQO-UXHICEINSA-N 2 0 345.531 3.004 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3C)C2)CC[N@@H+]1C ZINC001022109200 1318796947 /nfs/dbraw/zinc/79/69/47/1318796947.db2.gz JOYXPFPPVLFSSD-NLPMXTIOSA-N 2 0 343.515 3.023 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022195703 1318837827 /nfs/dbraw/zinc/83/78/27/1318837827.db2.gz GQDPLBFZWILYND-AQNXPRMDSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022293716 1318881461 /nfs/dbraw/zinc/88/14/61/1318881461.db2.gz WHEPBKGVUORXKD-OTWHNJEPSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)c1 ZINC001022341168 1318900501 /nfs/dbraw/zinc/90/05/01/1318900501.db2.gz UCFZAZCJQJCOID-HDICACEKSA-N 2 0 348.450 3.002 20 0 EGADRP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000815200325 1318926360 /nfs/dbraw/zinc/92/63/60/1318926360.db2.gz IXRMRDOEIWNKQF-RBUKOAKNSA-N 2 0 338.923 3.344 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1 ZINC001022711596 1319079596 /nfs/dbraw/zinc/07/95/96/1319079596.db2.gz BTTJULUDPOIUDZ-FFZOFVMBSA-N 2 0 343.515 3.031 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCC2)c1 ZINC000961029780 1319153445 /nfs/dbraw/zinc/15/34/45/1319153445.db2.gz YPVARBJLEMCPSH-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000961033374 1319158129 /nfs/dbraw/zinc/15/81/29/1319158129.db2.gz ZDHUEVJIXAXPHV-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022958260 1319187512 /nfs/dbraw/zinc/18/75/12/1319187512.db2.gz HPGKLEYUVWKHOA-CEXWTWQISA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001023130205 1319275354 /nfs/dbraw/zinc/27/53/54/1319275354.db2.gz FAYVPPCDGPTUIF-HDICACEKSA-N 2 0 343.515 3.035 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000961192521 1319307661 /nfs/dbraw/zinc/30/76/61/1319307661.db2.gz ZOHLDKGRUVUHDB-ZWKOTPCHSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000817893984 1319452813 /nfs/dbraw/zinc/45/28/13/1319452813.db2.gz KESGEUAVOPHWBR-DOIPELPJSA-N 2 0 346.515 3.408 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817893507 1319454033 /nfs/dbraw/zinc/45/40/33/1319454033.db2.gz GDQHDUFATJOEJU-DOIPELPJSA-N 2 0 346.515 3.408 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1c(F)cccc1Cl ZINC000817905830 1319457213 /nfs/dbraw/zinc/45/72/13/1319457213.db2.gz OMKIGIBEIKESGB-BASLNEPJSA-N 2 0 340.870 3.413 20 0 EGADRP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCc2ccccc21 ZINC000817913576 1319458557 /nfs/dbraw/zinc/45/85/57/1319458557.db2.gz KFWINMBRQLPXJI-WLRLJWMZSA-N 2 0 328.500 3.111 20 0 EGADRP O[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCc2ccccc21 ZINC000817913573 1319458575 /nfs/dbraw/zinc/45/85/75/1319458575.db2.gz KFWINMBRQLPXJI-KCLUMXDGSA-N 2 0 328.500 3.111 20 0 EGADRP COc1ccc(C)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817909081 1319458675 /nfs/dbraw/zinc/45/86/75/1319458675.db2.gz XKCQCDWRQHMUCP-WIYYLYMNSA-N 2 0 338.451 3.349 20 0 EGADRP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000817917093 1319459863 /nfs/dbraw/zinc/45/98/63/1319459863.db2.gz KPGGYODWZBMHCE-IYWMVGAKSA-N 2 0 328.500 3.401 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817926862 1319463473 /nfs/dbraw/zinc/46/34/73/1319463473.db2.gz AZONOJLTTAGIOF-DYZYQPBXSA-N 2 0 337.826 3.025 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000817947630 1319473803 /nfs/dbraw/zinc/47/38/03/1319473803.db2.gz DKZYQTDFMHQJOE-CQSZACIVSA-N 2 0 337.467 3.268 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950431 1319475554 /nfs/dbraw/zinc/47/55/54/1319475554.db2.gz YEIBLXJKWJXANI-XMSQKQJNSA-N 3 0 337.511 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023365058 1319476439 /nfs/dbraw/zinc/47/64/39/1319476439.db2.gz VXFWZXKGFJRPAS-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817969690 1319481539 /nfs/dbraw/zinc/48/15/39/1319481539.db2.gz HCFAOSAFTNBOLM-YHUYYLMFSA-N 2 0 325.497 3.024 20 0 EGADRP CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817979998 1319483990 /nfs/dbraw/zinc/48/39/90/1319483990.db2.gz GXXOWUMWVPGERV-BRWVUGGUSA-N 2 0 339.524 3.286 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023402984 1319509663 /nfs/dbraw/zinc/50/96/63/1319509663.db2.gz XXTDEEGKUIZLSQ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CCC3CC3)C2)CC1)[NH+](C)C ZINC000961376074 1319533352 /nfs/dbraw/zinc/53/33/52/1319533352.db2.gz CJGPUIVZINIHFF-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001023445756 1319544808 /nfs/dbraw/zinc/54/48/08/1319544808.db2.gz AOPSJTLYFHMOQV-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1F ZINC000818953220 1319587255 /nfs/dbraw/zinc/58/72/55/1319587255.db2.gz IZLHSVAJDJOUOU-FQEVSTJZSA-N 2 0 346.421 3.384 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000818959909 1319590502 /nfs/dbraw/zinc/59/05/02/1319590502.db2.gz VSCVIXJSIRTBLW-KBXCAEBGSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000818961181 1319591917 /nfs/dbraw/zinc/59/19/17/1319591917.db2.gz NYGOZFQDOLSSIV-KHYOSLBOSA-N 2 0 340.458 3.346 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489899 1319595702 /nfs/dbraw/zinc/59/57/02/1319595702.db2.gz NNQPBZXUZKXWTL-MRXNPFEDSA-N 2 0 342.487 3.212 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818985890 1319605168 /nfs/dbraw/zinc/60/51/68/1319605168.db2.gz ZIBFGGHSSCMZHJ-DYVFJYSZSA-N 2 0 328.859 3.223 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccc1F ZINC000818986007 1319605205 /nfs/dbraw/zinc/60/52/05/1319605205.db2.gz CPCHESWZNRVCSU-IBGZPJMESA-N 2 0 348.487 3.422 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819133061 1319643761 /nfs/dbraw/zinc/64/37/61/1319643761.db2.gz KTNWHSJTLMUZNV-FMKPAKJESA-N 2 0 346.393 3.081 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819151779 1319649937 /nfs/dbraw/zinc/64/99/37/1319649937.db2.gz DZUZEAQSQKBKHH-RHSMWYFYSA-N 2 0 344.421 3.306 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000819275181 1319686892 /nfs/dbraw/zinc/68/68/92/1319686892.db2.gz RPSAUPZAIGBWNM-YLJYHZDGSA-N 2 0 344.886 3.485 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000961891141 1319762834 /nfs/dbraw/zinc/76/28/34/1319762834.db2.gz CRHHKJUKKKBMIJ-UHFFFAOYSA-N 2 0 349.544 3.098 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646220 1319766244 /nfs/dbraw/zinc/76/62/44/1319766244.db2.gz KEYTZQQZXXMUIY-IEBWSBKVSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000961923819 1319774898 /nfs/dbraw/zinc/77/48/98/1319774898.db2.gz ISJAILOFQVBOGN-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001023695445 1319820995 /nfs/dbraw/zinc/82/09/95/1319820995.db2.gz BASULCWULZYDBP-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC000962163666 1319841449 /nfs/dbraw/zinc/84/14/49/1319841449.db2.gz BRDAYVGNGKRKHG-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761517 1319907254 /nfs/dbraw/zinc/90/72/54/1319907254.db2.gz BPPXTUGPTDCRHC-MJGOQNOKSA-N 2 0 345.531 3.236 20 0 EGADRP CC1(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)OCCO1 ZINC000820841959 1319967293 /nfs/dbraw/zinc/96/72/93/1319967293.db2.gz RCWKVBAKEIFWOM-IHWFROFDSA-N 2 0 344.499 3.315 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822791568 1320123692 /nfs/dbraw/zinc/12/36/92/1320123692.db2.gz TUWYVWICNLWXSP-HNNXBMFYSA-N 2 0 348.362 3.061 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823630701 1320193358 /nfs/dbraw/zinc/19/33/58/1320193358.db2.gz RYBQXSGADGKAGP-IRXDYDNUSA-N 2 0 341.540 3.342 20 0 EGADRP C[C@@H](NCc1cc(C2CC2)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824119356 1320230311 /nfs/dbraw/zinc/23/03/11/1320230311.db2.gz HHDFPJQWRLEURK-VQIMIIECSA-N 2 0 338.499 3.298 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000824291844 1320245261 /nfs/dbraw/zinc/24/52/61/1320245261.db2.gz JMJYDHWVNNQWOW-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCCC2)o1 ZINC000824366003 1320251055 /nfs/dbraw/zinc/25/10/55/1320251055.db2.gz GIGWUILISPWYTQ-ZWKOTPCHSA-N 2 0 345.487 3.012 20 0 EGADRP CCCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000827519652 1320458194 /nfs/dbraw/zinc/45/81/94/1320458194.db2.gz QMUAPDFXIUQZBZ-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP c1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1C[NH+]1CCCCC1 ZINC000839524355 1320932396 /nfs/dbraw/zinc/93/23/96/1320932396.db2.gz GWBNVOLSAJGXMN-UHFFFAOYSA-N 2 0 330.472 3.011 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1Br ZINC000841034841 1321205105 /nfs/dbraw/zinc/20/51/05/1321205105.db2.gz FXWATPWMDMIAMY-UHFFFAOYSA-N 2 0 349.272 3.249 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000841324334 1321256330 /nfs/dbraw/zinc/25/63/30/1321256330.db2.gz BPWOIKMYZZNNDC-UHFFFAOYSA-N 2 0 344.503 3.312 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055553 1321463082 /nfs/dbraw/zinc/46/30/82/1321463082.db2.gz GYGPGOXIVLAUCX-UHFFFAOYSA-N 2 0 340.393 3.294 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)c(Cl)nc21 ZINC000843112068 1321472256 /nfs/dbraw/zinc/47/22/56/1321472256.db2.gz DAKUQUYBSUVWDV-ZDUSSCGKSA-N 2 0 335.883 3.226 20 0 EGADRP CCCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1Cl ZINC000843125702 1321473005 /nfs/dbraw/zinc/47/30/05/1321473005.db2.gz FTVVPFUYEIVBMH-CVEARBPZSA-N 2 0 338.927 3.467 20 0 EGADRP c1cc(N2CCCCC2)ccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843342529 1321503027 /nfs/dbraw/zinc/50/30/27/1321503027.db2.gz NBSZPUIYMHMSPV-XUVXKRRUSA-N 2 0 327.516 3.197 20 0 EGADRP CCc1cc2oc(=O)cc(CN3C[C@H](C[NH3+])C[C@@H]3C)c2cc1Cl ZINC000843362330 1321507213 /nfs/dbraw/zinc/50/72/13/1321507213.db2.gz DRJOIYYJNGVUNI-RYUDHWBXSA-N 2 0 334.847 3.178 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843377830 1321508538 /nfs/dbraw/zinc/50/85/38/1321508538.db2.gz NYRAHAUGIAWHEL-KRWDZBQOSA-N 2 0 337.467 3.353 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000844188572 1321577330 /nfs/dbraw/zinc/57/73/30/1321577330.db2.gz WSDMLNOXPCACMN-FZKQIMNGSA-N 2 0 329.419 3.162 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000844925470 1321659203 /nfs/dbraw/zinc/65/92/03/1321659203.db2.gz QDZMIZGTSSBHHC-SNVBAGLBSA-N 2 0 330.245 3.024 20 0 EGADRP [NH3+]CCCCCC[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000846217781 1321776846 /nfs/dbraw/zinc/77/68/46/1321776846.db2.gz BCYFHBLNLFYBGJ-UHFFFAOYSA-N 2 0 339.483 3.117 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000846219380 1321777477 /nfs/dbraw/zinc/77/74/77/1321777477.db2.gz PORCTQUGJMMQPH-KRWDZBQOSA-N 2 0 343.471 3.146 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC000848720632 1321999856 /nfs/dbraw/zinc/99/98/56/1321999856.db2.gz QFJBHIXXQSZWFC-PMACEKPBSA-N 2 0 338.451 3.403 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000848882194 1322028017 /nfs/dbraw/zinc/02/80/17/1322028017.db2.gz MOWNCVFACGIVCO-FPLPWBNLSA-N 2 0 334.460 3.018 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC[N@H+](C)C(C)C)c1 ZINC000849060993 1322062675 /nfs/dbraw/zinc/06/26/75/1322062675.db2.gz ZRSPRIBGIICLRS-UHFFFAOYSA-N 2 0 336.480 3.151 20 0 EGADRP CC1CCN(C(=[NH2+])NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000849075604 1322067343 /nfs/dbraw/zinc/06/73/43/1322067343.db2.gz IJCOOTCSWUMFDU-HXUWFJFHSA-N 2 0 328.504 3.155 20 0 EGADRP C[C@@H]1CCC[C@@H]1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849075831 1322068227 /nfs/dbraw/zinc/06/82/27/1322068227.db2.gz NDWMURRLSCYPOC-SJLPKXTDSA-N 2 0 328.504 3.201 20 0 EGADRP C[NH+](C)C1(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CCCC1 ZINC000849083880 1322071980 /nfs/dbraw/zinc/07/19/80/1322071980.db2.gz NAJSHZFFSCVVKG-UHFFFAOYSA-N 2 0 344.381 3.396 20 0 EGADRP C[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000849083759 1322072397 /nfs/dbraw/zinc/07/23/97/1322072397.db2.gz HRCCYRFJYARKOL-SNVBAGLBSA-N 2 0 330.354 3.004 20 0 EGADRP [NH2+]=C(NCC[NH+]1CCCCCC1)NCc1cccc(C(F)(F)F)c1 ZINC000849091083 1322074968 /nfs/dbraw/zinc/07/49/68/1322074968.db2.gz IBDTVIPOHDESIV-UHFFFAOYSA-N 2 0 342.409 3.195 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000849097275 1322077407 /nfs/dbraw/zinc/07/74/07/1322077407.db2.gz LLLDYEZYWFARBE-FFZOFVMBSA-N 2 0 336.483 3.294 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849116078 1322084260 /nfs/dbraw/zinc/08/42/60/1322084260.db2.gz JSPVJPZXSYDCRR-LBPRGKRZSA-N 2 0 344.381 3.253 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850435483 1322248990 /nfs/dbraw/zinc/24/89/90/1322248990.db2.gz AHMMIHVIVPDORP-DLBZAZTESA-N 2 0 344.499 3.163 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000850558813 1322267152 /nfs/dbraw/zinc/26/71/52/1322267152.db2.gz XHBSVPNKWXGVIP-BDJLRTHQSA-N 2 0 331.287 3.347 20 0 EGADRP CC(C)c1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922388879 1322515928 /nfs/dbraw/zinc/51/59/28/1322515928.db2.gz GRYMFFDEEMUCSN-NCYKPQTJSA-N 2 0 330.516 3.379 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389605 1322515976 /nfs/dbraw/zinc/51/59/76/1322515976.db2.gz UQKHCHIFLOULQQ-CGXNFDGLSA-N 2 0 330.516 3.208 20 0 EGADRP Cc1cc(C)n2c(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)cnc2n1 ZINC000922509103 1322545044 /nfs/dbraw/zinc/54/50/44/1322545044.db2.gz JJIGFYVRJDGUDT-UHFFFAOYSA-N 2 0 341.503 3.233 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000923491337 1322760757 /nfs/dbraw/zinc/76/07/57/1322760757.db2.gz IANAHCOTHJTEDY-MRXNPFEDSA-N 2 0 339.439 3.088 20 0 EGADRP Cn1c2ccccc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506608 1322765579 /nfs/dbraw/zinc/76/55/79/1322765579.db2.gz JVMALQOLCIDCHA-INIZCTEOSA-N 2 0 326.488 3.175 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024019232 1323080581 /nfs/dbraw/zinc/08/05/81/1323080581.db2.gz WQQHWAVZXFBUSA-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024023704 1323081893 /nfs/dbraw/zinc/08/18/93/1323081893.db2.gz OEOPKHLOSHTGCK-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924661575 1323099496 /nfs/dbraw/zinc/09/94/96/1323099496.db2.gz NREGTVSRBIQHSZ-KRWDZBQOSA-N 2 0 342.487 3.020 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000924682047 1323111305 /nfs/dbraw/zinc/11/13/05/1323111305.db2.gz UYRQTCAWWLFAEE-VQTJNVASSA-N 2 0 332.536 3.233 20 0 EGADRP CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924817012 1323174939 /nfs/dbraw/zinc/17/49/39/1323174939.db2.gz HAHFZXMIKDOQCY-MRXNPFEDSA-N 2 0 339.483 3.349 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001024188937 1323199744 /nfs/dbraw/zinc/19/97/44/1323199744.db2.gz SFUNORMAUDSEIZ-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1(Cl)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924961553 1323229000 /nfs/dbraw/zinc/22/90/00/1323229000.db2.gz AEQHCEJRUPVWTK-ZIAGYGMSSA-N 2 0 339.886 3.388 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278204 1323256917 /nfs/dbraw/zinc/25/69/17/1323256917.db2.gz GWIWPETWSQSSAU-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439535 1323402205 /nfs/dbraw/zinc/40/22/05/1323402205.db2.gz BIWFJZSYWFADCA-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(CC)CC ZINC001024469718 1323424980 /nfs/dbraw/zinc/42/49/80/1323424980.db2.gz VZOPDYZDOMHSGD-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024480001 1323432522 /nfs/dbraw/zinc/43/25/22/1323432522.db2.gz WHBNYSMUFJWQPS-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024522074 1323471446 /nfs/dbraw/zinc/47/14/46/1323471446.db2.gz ZBQQBYBWJGZFKS-INIZCTEOSA-N 2 0 328.460 3.027 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2=CCCCC2)CC[N@@H+]1C ZINC001024619692 1323546646 /nfs/dbraw/zinc/54/66/46/1323546646.db2.gz AMKJZMMZNGWSPM-IHPCNDPISA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024692600 1323609774 /nfs/dbraw/zinc/60/97/74/1323609774.db2.gz PJRAUZKPJIGZGQ-MOPGFXCFSA-N 2 0 335.536 3.186 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001024963332 1323803423 /nfs/dbraw/zinc/80/34/23/1323803423.db2.gz MSPHYPBEEHGJEY-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CCC1 ZINC001024982675 1323813888 /nfs/dbraw/zinc/81/38/88/1323813888.db2.gz XNWMNQIQGKHMAJ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001024991576 1323815638 /nfs/dbraw/zinc/81/56/38/1323815638.db2.gz GZCHSUFBVXUTEH-UXHICEINSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)[NH+]1CCCC1 ZINC001025038456 1323842307 /nfs/dbraw/zinc/84/23/07/1323842307.db2.gz XPVSNKYEGQHZPU-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025059441 1323862978 /nfs/dbraw/zinc/86/29/78/1323862978.db2.gz PXZRXZITAXEBJC-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3coc(-c4c(F)cccc4F)n3)C[C@@H]2C1 ZINC000931440729 1329118307 /nfs/dbraw/zinc/11/83/07/1329118307.db2.gz XZXHBEOBZWSPJE-OLZOCXBDSA-N 2 0 333.382 3.003 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025105500 1323898655 /nfs/dbraw/zinc/89/86/55/1323898655.db2.gz WHPAGSOWVNSMTA-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000931466659 1329125048 /nfs/dbraw/zinc/12/50/48/1329125048.db2.gz FMZBMRIZUNXSRG-CABCVRRESA-N 2 0 334.426 3.294 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273920 1324090342 /nfs/dbraw/zinc/09/03/42/1324090342.db2.gz IEWLJGIQIILSFS-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ncccc1Cl ZINC000925214309 1325083896 /nfs/dbraw/zinc/08/38/96/1325083896.db2.gz FJQWWRCSJHACEG-QGZVFWFLSA-N 2 0 338.927 3.192 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963351375 1325144395 /nfs/dbraw/zinc/14/43/95/1325144395.db2.gz HKOUVDKVAXYVDS-AEFFLSMTSA-N 2 0 347.503 3.068 20 0 EGADRP COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925421956 1325146492 /nfs/dbraw/zinc/14/64/92/1325146492.db2.gz HBAZCCRWKGBWRK-KXBFYZLASA-N 2 0 328.456 3.141 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925438333 1325150545 /nfs/dbraw/zinc/15/05/45/1325150545.db2.gz XIELEGGXODCMKW-KSZLIROESA-N 2 0 348.531 3.454 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027015064 1325155184 /nfs/dbraw/zinc/15/51/84/1325155184.db2.gz XOUXRVQEHXJZOY-UXHICEINSA-N 2 0 347.547 3.047 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001027017673 1325157535 /nfs/dbraw/zinc/15/75/35/1325157535.db2.gz ZJOSOESIDRBTPN-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001027017674 1325157699 /nfs/dbraw/zinc/15/76/99/1325157699.db2.gz ZJOSOESIDRBTPN-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc1 ZINC000925492856 1325175321 /nfs/dbraw/zinc/17/53/21/1325175321.db2.gz IXZMCNUHYMPFMA-LEWJYISDSA-N 2 0 327.516 3.413 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000925528664 1325192094 /nfs/dbraw/zinc/19/20/94/1325192094.db2.gz UUFBZZHPSSAVDF-GIOYIUAESA-N 2 0 327.472 3.031 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cn2)n1 ZINC000925561471 1325209328 /nfs/dbraw/zinc/20/93/28/1325209328.db2.gz CEFHEOCJECKOPH-HXUWFJFHSA-N 2 0 349.482 3.454 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CCC([NH2+]CC3CCC3)CC2)C1 ZINC000963419086 1325227353 /nfs/dbraw/zinc/22/73/53/1325227353.db2.gz CDLIPVKDRXXCAD-XEVCZEQESA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001027105623 1325229645 /nfs/dbraw/zinc/22/96/45/1325229645.db2.gz OZOWIKZZMOLCLC-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@H](C)n3ncnc32)C[N@H+]1Cc1ccccc1 ZINC000925616063 1325231531 /nfs/dbraw/zinc/23/15/31/1325231531.db2.gz QAYBOIKILCVYJU-NEPXVJNWSA-N 2 0 339.487 3.174 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc(N2CCCC2)n1 ZINC000925669937 1325256313 /nfs/dbraw/zinc/25/63/13/1325256313.db2.gz ZEFGUSXWXSMSKW-WOJBJXKFSA-N 2 0 342.531 3.248 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000925719349 1325269292 /nfs/dbraw/zinc/26/92/92/1325269292.db2.gz SCVXSHNWOVWUTD-MTEDZPEMSA-N 2 0 337.870 3.163 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000925827151 1325318113 /nfs/dbraw/zinc/31/81/13/1325318113.db2.gz MRPAWAULHKCWDX-STQMWFEESA-N 2 0 338.455 3.145 20 0 EGADRP Cc1c(C(=O)N(C)C2CCC([NH2+]CC3CC3)CC2)ccc2c[nH+]cn21 ZINC000963598356 1325337949 /nfs/dbraw/zinc/33/79/49/1325337949.db2.gz JBURIECNPLRSRM-UHFFFAOYSA-N 2 0 340.471 3.026 20 0 EGADRP COc1cccc2c1CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c3ccccc3)C1)C2 ZINC000925880963 1325340933 /nfs/dbraw/zinc/34/09/33/1325340933.db2.gz DEELPRBNJHJROV-KNKQGSTJSA-N 2 0 336.479 3.201 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]C(C)C)CC1 ZINC000964153835 1325483584 /nfs/dbraw/zinc/48/35/84/1325483584.db2.gz RIPMFNMSBNLZCL-ACBHZAAOSA-N 2 0 337.552 3.409 20 0 EGADRP CN(C(=O)C[NH+]1CCCC1)C1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000964392207 1325503877 /nfs/dbraw/zinc/50/38/77/1325503877.db2.gz GNPIMBQVYMPAPX-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH2+]C1CCC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000964446898 1325529100 /nfs/dbraw/zinc/52/91/00/1325529100.db2.gz CFHMUPFYHLJDEE-UHFFFAOYSA-N 2 0 335.492 3.114 20 0 EGADRP OC1(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000926381086 1325534436 /nfs/dbraw/zinc/53/44/36/1325534436.db2.gz ZBXHVUNLFWZONS-IHWFROFDSA-N 2 0 328.500 3.467 20 0 EGADRP C[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000926475337 1325568593 /nfs/dbraw/zinc/56/85/93/1325568593.db2.gz TZJKPLCQGPFDCB-LBFURVHYSA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)[N@@H+]1CCCN(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)CC1 ZINC000857110302 1325573188 /nfs/dbraw/zinc/57/31/88/1325573188.db2.gz UCJDQLRCCCFUSD-FQEVSTJZSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)C(C)(C)C[NH+](C)C ZINC000857136375 1325578049 /nfs/dbraw/zinc/57/80/49/1325578049.db2.gz IKFSOTOGQOIVIT-VQIMIIECSA-N 2 0 345.531 3.202 20 0 EGADRP COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926573909 1327622127 /nfs/dbraw/zinc/62/21/27/1327622127.db2.gz QLYZKJUBYACJIC-OXJNMPFZSA-N 2 0 342.483 3.184 20 0 EGADRP Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001027452336 1327693961 /nfs/dbraw/zinc/69/39/61/1327693961.db2.gz MURAMKUOLSYQOG-UXHICEINSA-N 2 0 345.531 3.004 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001027459837 1327702880 /nfs/dbraw/zinc/70/28/80/1327702880.db2.gz CWQHWLCIICCNIP-VQTJNVASSA-N 2 0 345.531 3.066 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001027459732 1327703124 /nfs/dbraw/zinc/70/31/24/1327703124.db2.gz AFEVXGRZTDTOQY-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027460302 1327706039 /nfs/dbraw/zinc/70/60/39/1327706039.db2.gz IHCQWIVMVUIKAR-VQTJNVASSA-N 2 0 345.531 3.012 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C1)[NH+](C)C ZINC001027462711 1327712264 /nfs/dbraw/zinc/71/22/64/1327712264.db2.gz BDUUEFNDFCNGAK-UYAOXDASSA-N 2 0 345.531 3.066 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492613 1327752565 /nfs/dbraw/zinc/75/25/65/1327752565.db2.gz RNDBYOCXRXJQAH-FQEVSTJZSA-N 2 0 348.450 3.071 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC3(C2)OCCO3)CC1 ZINC000927001790 1327814184 /nfs/dbraw/zinc/81/41/84/1327814184.db2.gz PEOAJIXQEHIGET-UHFFFAOYSA-N 2 0 344.499 3.172 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000927021156 1327823661 /nfs/dbraw/zinc/82/36/61/1327823661.db2.gz WMRANIICUKOOBF-HOJAQTOUSA-N 2 0 343.515 3.373 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000927038888 1327826915 /nfs/dbraw/zinc/82/69/15/1327826915.db2.gz RTKBQDYIYNOFPR-HFCFLWKCSA-N 2 0 331.508 3.423 20 0 EGADRP Cc1cc2ncc([C@@H](C)[NH2+]C3CCC(C)([NH+]4CCC4)CC3)c(C)n2n1 ZINC000927037846 1327826983 /nfs/dbraw/zinc/82/69/83/1327826983.db2.gz LDEHTAHBBLDEIO-XRTORIHISA-N 2 0 341.503 3.404 20 0 EGADRP Cc1ccc(NCC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)nc1 ZINC000927073671 1327843353 /nfs/dbraw/zinc/84/33/53/1327843353.db2.gz NLGIAKZSMZJQTB-QGZVFWFLSA-N 2 0 342.487 3.093 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001027546340 1327851384 /nfs/dbraw/zinc/85/13/84/1327851384.db2.gz MDNNCDLPJPKKTF-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555399 1327863234 /nfs/dbraw/zinc/86/32/34/1327863234.db2.gz KWKHLVRLCQHBIK-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605105 1327960808 /nfs/dbraw/zinc/96/08/08/1327960808.db2.gz VSFYMICROCWBGP-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CC2)C1 ZINC001027648780 1328029233 /nfs/dbraw/zinc/02/92/33/1328029233.db2.gz ZPTWVCYCHDKHQE-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680696 1328078910 /nfs/dbraw/zinc/07/89/10/1328078910.db2.gz JCKCVQBLAALVOS-RTBURBONSA-N 2 0 343.515 3.075 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694405 1328101311 /nfs/dbraw/zinc/10/13/11/1328101311.db2.gz XXDQKILSBNOKST-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966076851 1328171032 /nfs/dbraw/zinc/17/10/32/1328171032.db2.gz ODCLTHCFOCTCGO-ROUUACIJSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000928012997 1328172102 /nfs/dbraw/zinc/17/21/02/1328172102.db2.gz PFLCWNKJYRXADU-ZJRDLVKKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027878737 1328344787 /nfs/dbraw/zinc/34/47/87/1328344787.db2.gz HRDDYNLSXGVXFL-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001027924471 1328402195 /nfs/dbraw/zinc/40/21/95/1328402195.db2.gz JRNFMWZGTUWYGG-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003461 1328464687 /nfs/dbraw/zinc/46/46/87/1328464687.db2.gz OOMQSDBVGVHYFL-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001028002777 1328465365 /nfs/dbraw/zinc/46/53/65/1328465365.db2.gz IIUGFMNZXKKVOU-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC001028028400 1328490377 /nfs/dbraw/zinc/49/03/77/1328490377.db2.gz HCMDMAKXGFEXAX-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP COCCc1ncc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)s1 ZINC000865484303 1329704068 /nfs/dbraw/zinc/70/40/68/1329704068.db2.gz FQXVSNNXGMAPGQ-UHFFFAOYSA-N 2 0 337.533 3.219 20 0 EGADRP CCCn1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000865508969 1329707118 /nfs/dbraw/zinc/70/71/18/1329707118.db2.gz IVHHRDPRDPPCNA-MJGOQNOKSA-N 2 0 341.503 3.078 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000932626116 1329828933 /nfs/dbraw/zinc/82/89/33/1329828933.db2.gz OXCYTZQZPXLTMQ-MRXNPFEDSA-N 2 0 333.545 3.371 20 0 EGADRP CC[NH+]1CCC(CCNC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000933544779 1329899117 /nfs/dbraw/zinc/89/91/17/1329899117.db2.gz RPCOFMOEBWKCHN-UHFFFAOYSA-N 2 0 347.503 3.117 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000935591066 1330062578 /nfs/dbraw/zinc/06/25/78/1330062578.db2.gz GPHWQSLIYVTEQP-UHFFFAOYSA-N 2 0 349.519 3.460 20 0 EGADRP Fc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866269016 1330088179 /nfs/dbraw/zinc/08/81/79/1330088179.db2.gz DKOJIFXTKAXRLQ-FOIQADDNSA-N 2 0 332.463 3.294 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000866469275 1330116456 /nfs/dbraw/zinc/11/64/56/1330116456.db2.gz KNOWLHWXHATRDW-QGZVFWFLSA-N 2 0 341.503 3.428 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000866470259 1330116519 /nfs/dbraw/zinc/11/65/19/1330116519.db2.gz RCWHVHHLEXAIDQ-KRWDZBQOSA-N 2 0 326.488 3.373 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1)C(C)C ZINC000868010715 1330240175 /nfs/dbraw/zinc/24/01/75/1330240175.db2.gz WTMRDZYPEUOUQK-INIZCTEOSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518223 1331950546 /nfs/dbraw/zinc/95/05/46/1331950546.db2.gz ORLLLUCVVYUAKJ-YJBOKZPZSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598363 1331996764 /nfs/dbraw/zinc/99/67/64/1331996764.db2.gz WNGWAHVVSCLOMX-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821366 1332042443 /nfs/dbraw/zinc/04/24/43/1332042443.db2.gz DVKHPHGVARVRCN-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC000943756180 1332254587 /nfs/dbraw/zinc/25/45/87/1332254587.db2.gz MDHRVBOXVVPMSU-UYAOXDASSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943304 1332458715 /nfs/dbraw/zinc/45/87/15/1332458715.db2.gz GPYATVKYUIGXPK-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1)[NH+]1CCCCC1 ZINC000946904462 1332929176 /nfs/dbraw/zinc/92/91/76/1332929176.db2.gz HGAGNRMTTYRLOJ-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947474562 1333142217 /nfs/dbraw/zinc/14/22/17/1333142217.db2.gz VWOAYEUZLKWJTN-NVXWUHKLSA-N 2 0 342.487 3.272 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCC1 ZINC000947774788 1333257671 /nfs/dbraw/zinc/25/76/71/1333257671.db2.gz GKCNWSCTBPVYPM-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947799569 1333264835 /nfs/dbraw/zinc/26/48/35/1333264835.db2.gz BMNCWIRARFHZAL-FXAWDEMLSA-N 2 0 345.531 3.377 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948243662 1333439122 /nfs/dbraw/zinc/43/91/22/1333439122.db2.gz BSLGBTZJWAWNKD-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570577 1333581342 /nfs/dbraw/zinc/58/13/42/1333581342.db2.gz METWMYBKVVTJEL-KRWDZBQOSA-N 2 0 342.487 3.369 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948621428 1333600331 /nfs/dbraw/zinc/60/03/31/1333600331.db2.gz PNHMERXLCVOCJF-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948711365 1333642392 /nfs/dbraw/zinc/64/23/92/1333642392.db2.gz OVNHKZHXGONURH-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710959 1333642743 /nfs/dbraw/zinc/64/27/43/1333642743.db2.gz IZTXUFYJVQQFEE-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726699 1333648801 /nfs/dbraw/zinc/64/88/01/1333648801.db2.gz XUOVJEHJMBHRQD-SJLPKXTDSA-N 2 0 349.519 3.314 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948775375 1333673659 /nfs/dbraw/zinc/67/36/59/1333673659.db2.gz HALVTHHEBGENES-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)Cc1cnc[nH]1)[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000948811958 1333692446 /nfs/dbraw/zinc/69/24/46/1333692446.db2.gz CNIMAAJFUZBKLZ-LJQANCHMSA-N 2 0 346.519 3.236 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000948862038 1333713184 /nfs/dbraw/zinc/71/31/84/1333713184.db2.gz ZCTQRZZHKLESSD-LJQANCHMSA-N 2 0 349.494 3.034 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000952406846 1334451073 /nfs/dbraw/zinc/45/10/73/1334451073.db2.gz LNOGYKPIEHFPCX-LJQANCHMSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968192265 1335868660 /nfs/dbraw/zinc/86/86/60/1335868660.db2.gz PXIDITZLDPEBRY-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968689042 1336012582 /nfs/dbraw/zinc/01/25/82/1336012582.db2.gz RVKYXCNYLOHFQB-WMZOPIPTSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934183 1336094741 /nfs/dbraw/zinc/09/47/41/1336094741.db2.gz OSQDYCIMYCPRJS-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933946 1336095319 /nfs/dbraw/zinc/09/53/19/1336095319.db2.gz IJUUWROOWYQBLO-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968936939 1336096295 /nfs/dbraw/zinc/09/62/95/1336096295.db2.gz VLZHSOVHNXNSNN-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990511 1336112545 /nfs/dbraw/zinc/11/25/45/1336112545.db2.gz FWQZTCQYFWHVHX-MOPGFXCFSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCC2)CC1 ZINC000969100843 1336143527 /nfs/dbraw/zinc/14/35/27/1336143527.db2.gz JLSHRKXLFQQXFW-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC000969212039 1336177973 /nfs/dbraw/zinc/17/79/73/1336177973.db2.gz TVARZQLTKYYFCF-QUCCMNQESA-N 2 0 348.450 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000969674318 1336235774 /nfs/dbraw/zinc/23/57/74/1336235774.db2.gz IHXRDDFEOVHUMU-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC000970325455 1336294846 /nfs/dbraw/zinc/29/48/46/1336294846.db2.gz GBWLDHRALCJAEG-LNLFQRSKSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005478036 1336358376 /nfs/dbraw/zinc/35/83/76/1336358376.db2.gz UGNDZJBAMIAORY-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005590267 1336376292 /nfs/dbraw/zinc/37/62/92/1336376292.db2.gz XADWDIWXXUPBRW-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005773370 1336400705 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349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006440526 1336506323 /nfs/dbraw/zinc/50/63/23/1336506323.db2.gz XVYJRBHZKZZHOE-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007500847 1336658850 /nfs/dbraw/zinc/65/88/50/1336658850.db2.gz WCURWXOTILAMNU-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007499170 1336658907 /nfs/dbraw/zinc/65/89/07/1336658907.db2.gz OLSXSLZVCGPFHR-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007744345 1336693723 /nfs/dbraw/zinc/69/37/23/1336693723.db2.gz JABAFVWJBQEZAT-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008747477 1336919214 /nfs/dbraw/zinc/91/92/14/1336919214.db2.gz LIEBBIYXBQAFAX-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001009164921 1336979590 /nfs/dbraw/zinc/97/95/90/1336979590.db2.gz BHASCLSPEJPMBM-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001009197254 1336984908 /nfs/dbraw/zinc/98/49/08/1336984908.db2.gz BVVSLZYYHZCMPG-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001009537510 1337035127 /nfs/dbraw/zinc/03/51/27/1337035127.db2.gz NKVFBKHKLRQXJU-MOPGFXCFSA-N 2 0 343.515 3.041 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)C2)c1 ZINC001009611197 1337046216 /nfs/dbraw/zinc/04/62/16/1337046216.db2.gz OFLKMFJTRSHXIZ-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)C2)o1 ZINC001009682422 1337059166 /nfs/dbraw/zinc/05/91/66/1337059166.db2.gz NQQLUQMMEGUKLX-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)C2)o1 ZINC001009683566 1337059742 /nfs/dbraw/zinc/05/97/42/1337059742.db2.gz PKXZFNYYZYBRCJ-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015056671 1338004204 /nfs/dbraw/zinc/00/42/04/1338004204.db2.gz HRKKGUGPEPPVNG-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114737 1338023197 /nfs/dbraw/zinc/02/31/97/1338023197.db2.gz RUFCEBRPXBAAIY-SJLPKXTDSA-N 2 0 348.450 3.208 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501537 1338161398 /nfs/dbraw/zinc/16/13/98/1338161398.db2.gz BFELZAGTWKGCCM-RBUKOAKNSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001015597188 1338200857 /nfs/dbraw/zinc/20/08/57/1338200857.db2.gz NVMASJBCRMLTBA-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001015596374 1338201196 /nfs/dbraw/zinc/20/11/96/1338201196.db2.gz BOXLDFINCLJJLM-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C2)cc1 ZINC001015712635 1338272427 /nfs/dbraw/zinc/27/24/27/1338272427.db2.gz FKURRUWIBYENHU-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795759 1338315122 /nfs/dbraw/zinc/31/51/22/1338315122.db2.gz RVSJHCIOHVHRRZ-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)cc1 ZINC001015839615 1338331938 /nfs/dbraw/zinc/33/19/38/1338331938.db2.gz LXMSQEYSJCNXLY-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001015900848 1338353192 /nfs/dbraw/zinc/35/31/92/1338353192.db2.gz XCGVZQCOMUEWAV-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC001015930897 1338363022 /nfs/dbraw/zinc/36/30/22/1338363022.db2.gz VRCBJSSOTCUNCY-AFMYVXGZSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001016336659 1338554446 /nfs/dbraw/zinc/55/44/46/1338554446.db2.gz DAUNADHNIAQUDW-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016543063 1338640086 /nfs/dbraw/zinc/64/00/86/1338640086.db2.gz LVMMGGQUXWLLGO-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016615802 1338665077 /nfs/dbraw/zinc/66/50/77/1338665077.db2.gz XSAKJOFPBQMPDZ-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016660788 1338682429 /nfs/dbraw/zinc/68/24/29/1338682429.db2.gz BHIORCLZNDRQNH-OALUTQOASA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC=C(C)C)CC3)C1 ZINC001016789265 1338728164 /nfs/dbraw/zinc/72/81/64/1338728164.db2.gz IJGYYLUHLCRFPR-RTBURBONSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016904779 1338764672 /nfs/dbraw/zinc/76/46/72/1338764672.db2.gz DDVJKAXHJHZIJX-LJQANCHMSA-N 2 0 347.547 3.044 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016984545 1338792556 /nfs/dbraw/zinc/79/25/56/1338792556.db2.gz DYXMYRFIEDFZKF-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016986426 1338793463 /nfs/dbraw/zinc/79/34/63/1338793463.db2.gz QWSQOANYJXVGGD-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001017178559 1338922958 /nfs/dbraw/zinc/92/29/58/1338922958.db2.gz ADUIHRRMGJIQQK-XBMUEBEBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018306056 1339570292 /nfs/dbraw/zinc/57/02/92/1339570292.db2.gz OONSNDQODJHHPU-AHRSYUTCSA-N 2 0 343.515 3.083 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001028335225 1340572333 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CIOVSEZKPVMPMP-VQTJNVASSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001029105017 1340931247 /nfs/dbraw/zinc/93/12/47/1340931247.db2.gz JQWMYACFVQZGQD-AWEZNQCLSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001029106779 1340931396 /nfs/dbraw/zinc/93/13/96/1340931396.db2.gz CNXUOQOJDIPHPH-QGZVFWFLSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001029135469 1340939670 /nfs/dbraw/zinc/93/96/70/1340939670.db2.gz UCKADOHBEWDSSK-QKLQHJQFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001029151247 1340943616 /nfs/dbraw/zinc/94/36/16/1340943616.db2.gz ADHZLKKHVRWQNF-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029163880 1340946196 /nfs/dbraw/zinc/94/61/96/1340946196.db2.gz COGDAAYAUAKDNQ-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029169175 1340947536 /nfs/dbraw/zinc/94/75/36/1340947536.db2.gz BZBQQJBBLPHUPE-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029306079 1340969830 /nfs/dbraw/zinc/96/98/30/1340969830.db2.gz HETAVUIGIKVWIU-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029739482 1341059393 /nfs/dbraw/zinc/05/93/93/1341059393.db2.gz JKTQIWPNBYTYSS-MJGOQNOKSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029750415 1341063209 /nfs/dbraw/zinc/06/32/09/1341063209.db2.gz GXBBHCSJHOXTLW-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029750412 1341063221 /nfs/dbraw/zinc/06/32/21/1341063221.db2.gz GXBBHCSJHOXTLW-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029774214 1341069865 /nfs/dbraw/zinc/06/98/65/1341069865.db2.gz KVCXPDSCLXZSQA-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001030831740 1341232455 /nfs/dbraw/zinc/23/24/55/1341232455.db2.gz OZQMQMOMCXOTMA-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766344 1341398758 /nfs/dbraw/zinc/39/87/58/1341398758.db2.gz GHWGIOXXFTXDPQ-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042551 1341444574 /nfs/dbraw/zinc/44/45/74/1341444574.db2.gz DJZJVVRGDSFYIJ-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032043058 1341444914 /nfs/dbraw/zinc/44/49/14/1341444914.db2.gz UDSJPYJUHBZRFZ-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001032129305 1341460152 /nfs/dbraw/zinc/46/01/52/1341460152.db2.gz VBUOUYRRELNTFM-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1 ZINC001032433900 1341511580 /nfs/dbraw/zinc/51/15/80/1341511580.db2.gz VDKYGZAUBHVKAL-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1=CCCCC1 ZINC001032445461 1341511816 /nfs/dbraw/zinc/51/18/16/1341511816.db2.gz HDHSVJZMLFMESB-AABGKKOBSA-N 2 0 345.531 3.035 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032802676 1341618950 /nfs/dbraw/zinc/61/89/50/1341618950.db2.gz JIEGCDOETNEXPZ-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033072986 1341716320 /nfs/dbraw/zinc/71/63/20/1341716320.db2.gz OJXDKOOEASFFEM-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033145572 1341738741 /nfs/dbraw/zinc/73/87/41/1341738741.db2.gz IGDWOVNOYNGRBH-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033145569 1341738759 /nfs/dbraw/zinc/73/87/59/1341738759.db2.gz IEOFKDHVYUZPOP-RBUKOAKNSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366435 1341797595 /nfs/dbraw/zinc/79/75/95/1341797595.db2.gz XJZCIYOYPPIRGO-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033470888 1341839620 /nfs/dbraw/zinc/83/96/20/1341839620.db2.gz FOWCLDNMQLYCGF-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033474457 1341840839 /nfs/dbraw/zinc/84/08/39/1341840839.db2.gz HWJQSNXQQUCJER-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533256 1341861450 /nfs/dbraw/zinc/86/14/50/1341861450.db2.gz XQYKCADHIYUGFU-QUCCMNQESA-N 2 0 343.515 3.012 20 0 EGADRP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033567869 1341876645 /nfs/dbraw/zinc/87/66/45/1341876645.db2.gz BAARMKOKFRHANK-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033570493 1341878495 /nfs/dbraw/zinc/87/84/95/1341878495.db2.gz AXTNFMNKUCZSKJ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033593114 1341888710 /nfs/dbraw/zinc/88/87/10/1341888710.db2.gz GDQSXMPWSLMDKF-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033683549 1341949394 /nfs/dbraw/zinc/94/93/94/1341949394.db2.gz HWPRWNPGXWUNPV-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC=C(C)C)C2)o1 ZINC001033698957 1341965902 /nfs/dbraw/zinc/96/59/02/1341965902.db2.gz GSDGSDOQSWFYHH-QGZVFWFLSA-N 2 0 347.503 3.234 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001075459862 1356392820 /nfs/dbraw/zinc/39/28/20/1356392820.db2.gz CVUWRHZBEUSHIO-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003947 1342141881 /nfs/dbraw/zinc/14/18/81/1342141881.db2.gz JKRXILFYIKYBSG-IEBWSBKVSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001034005108 1342142541 /nfs/dbraw/zinc/14/25/41/1342142541.db2.gz RNSDEKBHCKGATG-AFMYVXGZSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050367 1342191448 /nfs/dbraw/zinc/19/14/48/1342191448.db2.gz KNGKPZOVKLMFNC-MRXNPFEDSA-N 2 0 335.492 3.068 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034132254 1342261392 /nfs/dbraw/zinc/26/13/92/1342261392.db2.gz QJJAINGXSYIOFF-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034136924 1342264006 /nfs/dbraw/zinc/26/40/06/1342264006.db2.gz MJIZREWWNZOJSP-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034205145 1342315743 /nfs/dbraw/zinc/31/57/43/1342315743.db2.gz STZZDCDODSGLKS-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211452 1342321011 /nfs/dbraw/zinc/32/10/11/1342321011.db2.gz MXCOPDNBINHNQL-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034237945 1342339706 /nfs/dbraw/zinc/33/97/06/1342339706.db2.gz DJGPZCMLQXURHV-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034239059 1342339977 /nfs/dbraw/zinc/33/99/77/1342339977.db2.gz HMRAVIIHVFWAGP-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034272088 1342362879 /nfs/dbraw/zinc/36/28/79/1342362879.db2.gz RFFNSTAYJKCQDM-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034395444 1342463535 /nfs/dbraw/zinc/46/35/35/1342463535.db2.gz ZHQCFOOHUQPPIK-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034397774 1342464937 /nfs/dbraw/zinc/46/49/37/1342464937.db2.gz LKVKWJGZCITJKC-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537575 1342595572 /nfs/dbraw/zinc/59/55/72/1342595572.db2.gz MOHMFRAVMVBQCM-HXUWFJFHSA-N 2 0 343.515 3.299 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538323 1342597031 /nfs/dbraw/zinc/59/70/31/1342597031.db2.gz LRBLDPFGOWYRQK-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545523 1342607522 /nfs/dbraw/zinc/60/75/22/1342607522.db2.gz UXOKAZNZEAFZQM-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001034610247 1342646640 /nfs/dbraw/zinc/64/66/40/1342646640.db2.gz KGPKOLNDQZXGJT-FHWLQOOXSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034672624 1342684225 /nfs/dbraw/zinc/68/42/25/1342684225.db2.gz PRLGVTGJJPBOCQ-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034738647 1342729840 /nfs/dbraw/zinc/72/98/40/1342729840.db2.gz VIBUBVZTSYIKDW-AFYVEPGGSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)cc1 ZINC001034757024 1342741290 /nfs/dbraw/zinc/74/12/90/1342741290.db2.gz QZAVBFPLEZVANB-MXVIHJGJSA-N 2 0 343.515 3.179 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001034965107 1342854858 /nfs/dbraw/zinc/85/48/58/1342854858.db2.gz DTKXFCLPOUATHQ-RLLQIKCJSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1)c1ccccc1 ZINC001034984632 1342864940 /nfs/dbraw/zinc/86/49/40/1342864940.db2.gz AKFVTOADIWMVGZ-QFBILLFUSA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC001035039426 1342892646 /nfs/dbraw/zinc/89/26/46/1342892646.db2.gz BCDICJMRERILQC-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035192967 1343006759 /nfs/dbraw/zinc/00/67/59/1343006759.db2.gz RURKZDYSKMBRGI-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193771 1343008046 /nfs/dbraw/zinc/00/80/46/1343008046.db2.gz ODPDGYQOHMUBEC-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CC[NH+](CC(C)C)C3)CC2)C1 ZINC001035215749 1343034915 /nfs/dbraw/zinc/03/49/15/1343034915.db2.gz LBHYIBVCZYMZPO-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233918 1343056022 /nfs/dbraw/zinc/05/60/22/1343056022.db2.gz OVKMIZWWBVVQAE-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238865 1343061813 /nfs/dbraw/zinc/06/18/13/1343061813.db2.gz JVDPGUMPDVLNIH-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035705195 1343143262 /nfs/dbraw/zinc/14/32/62/1343143262.db2.gz XWKPHNNHTKSPTI-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035716931 1343150000 /nfs/dbraw/zinc/15/00/00/1343150000.db2.gz BEDIMSJOUABECO-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035772462 1343184403 /nfs/dbraw/zinc/18/44/03/1343184403.db2.gz BZDNHSJRZZDDSF-LJQANCHMSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035837169 1343220618 /nfs/dbraw/zinc/22/06/18/1343220618.db2.gz QNNKJZDCQCTLEU-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001036099130 1343313052 /nfs/dbraw/zinc/31/30/52/1343313052.db2.gz XLWVYTNSUYVUDE-WMZOPIPTSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001036180549 1343350041 /nfs/dbraw/zinc/35/00/41/1343350041.db2.gz ULYITDWIFYJRNT-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036193341 1343356981 /nfs/dbraw/zinc/35/69/81/1343356981.db2.gz MKNHYQAUTZROOJ-MJGOQNOKSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036311622 1343413519 /nfs/dbraw/zinc/41/35/19/1343413519.db2.gz PXAMWDWBHQQPHM-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001036406001 1343467661 /nfs/dbraw/zinc/46/76/61/1343467661.db2.gz NZJGJLQQDQMRDP-GDBMZVCRSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001036481722 1343508128 /nfs/dbraw/zinc/50/81/28/1343508128.db2.gz ZKVQTUXLZBCKCN-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755213 1343676666 /nfs/dbraw/zinc/67/66/66/1343676666.db2.gz SMFLKWLDVGCBPM-MJGOQNOKSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001037056309 1343953682 /nfs/dbraw/zinc/95/36/82/1343953682.db2.gz DURZVLVYJHWFGU-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001037078390 1343970780 /nfs/dbraw/zinc/97/07/80/1343970780.db2.gz IZLJACGOFIUECH-RTBURBONSA-N 2 0 347.547 3.093 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001037089263 1343973466 /nfs/dbraw/zinc/97/34/66/1343973466.db2.gz XKRBKIJUNUASNF-PMACEKPBSA-N 2 0 347.547 3.093 20 0 EGADRP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)c1ccc2c[nH+]cn2c1 ZINC001037213320 1344046467 /nfs/dbraw/zinc/04/64/67/1344046467.db2.gz IILLLLGVUQIQAC-VQIMIIECSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CC2)cc1 ZINC001037236788 1344059910 /nfs/dbraw/zinc/05/99/10/1344059910.db2.gz SVIYDACUXVICIE-VQTJNVASSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001037251299 1344069060 /nfs/dbraw/zinc/06/90/60/1344069060.db2.gz WNLNJQYVZGNABK-WOJBJXKFSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520947 1344464424 /nfs/dbraw/zinc/46/44/24/1344464424.db2.gz TXBYPNGDODEBDO-IBGZPJMESA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038777851 1344580994 /nfs/dbraw/zinc/58/09/94/1344580994.db2.gz CTDQFCXZEFIOAH-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001038783397 1344582095 /nfs/dbraw/zinc/58/20/95/1344582095.db2.gz WYWIGMLYWJMFDM-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038901819 1344641970 /nfs/dbraw/zinc/64/19/70/1344641970.db2.gz AJERMTKFVSMBPT-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233340 1344953367 /nfs/dbraw/zinc/95/33/67/1344953367.db2.gz AYUPKKXGGNCOFE-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039277946 1344994150 /nfs/dbraw/zinc/99/41/50/1344994150.db2.gz PGHCRGLIWBWFKC-ALOPSCKCSA-N 2 0 349.544 3.335 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039280967 1344995022 /nfs/dbraw/zinc/99/50/22/1344995022.db2.gz SSVXIVQAGAQWMA-XUBOLADHSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001039898287 1345239947 /nfs/dbraw/zinc/23/99/47/1345239947.db2.gz CNIIZSHQXWNYLS-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040227647 1345385494 /nfs/dbraw/zinc/38/54/94/1345385494.db2.gz HYKHOMGVNBEOOO-IBGZPJMESA-N 2 0 349.544 3.146 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242204 1345392318 /nfs/dbraw/zinc/39/23/18/1345392318.db2.gz XCDPGMRABGYZNN-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270362 1345405650 /nfs/dbraw/zinc/40/56/50/1345405650.db2.gz INAIKJSVGGUBIX-NRFANRHFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492866 1345519243 /nfs/dbraw/zinc/51/92/43/1345519243.db2.gz GEOBDFJUJMMXRI-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040727172 1345571495 /nfs/dbraw/zinc/57/14/95/1345571495.db2.gz PNNQRKGNVXXIAA-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757284 1345575575 /nfs/dbraw/zinc/57/55/75/1345575575.db2.gz QRMMGEODCQBZDS-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040874929 1345592439 /nfs/dbraw/zinc/59/24/39/1345592439.db2.gz NAXOQXVLWVHLSL-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001040953586 1345609275 /nfs/dbraw/zinc/60/92/75/1345609275.db2.gz QBINVFBFXIGWRQ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001042750236 1346111860 /nfs/dbraw/zinc/11/18/60/1346111860.db2.gz VVDLFYMQSWYEAG-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001042849971 1346120884 /nfs/dbraw/zinc/12/08/84/1346120884.db2.gz ZIYRDJZTRNLSRQ-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044333584 1346300936 /nfs/dbraw/zinc/30/09/36/1346300936.db2.gz WXLFOCUWTPSJHU-HDICACEKSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045061078 1346488154 /nfs/dbraw/zinc/48/81/54/1346488154.db2.gz UASOAGADZRTNQX-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045069442 1346489299 /nfs/dbraw/zinc/48/92/99/1346489299.db2.gz YTMXPKNVLMUECL-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045076449 1346490443 /nfs/dbraw/zinc/49/04/43/1346490443.db2.gz TYMYGRZMGXFNPS-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC001045121635 1346498820 /nfs/dbraw/zinc/49/88/20/1346498820.db2.gz MLIPPIZFORNXMJ-FQEVSTJZSA-N 2 0 348.450 3.037 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001045273466 1346545154 /nfs/dbraw/zinc/54/51/54/1346545154.db2.gz KLMPGHXIIZICBX-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001045528906 1346617900 /nfs/dbraw/zinc/61/79/00/1346617900.db2.gz HMJYFDXYVVMHOK-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC2=CCCCC2)CCC1 ZINC001045792455 1346699608 /nfs/dbraw/zinc/69/96/08/1346699608.db2.gz CMNKZVQMLXUJKM-MOPGFXCFSA-N 2 0 345.531 3.036 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045941652 1346777299 /nfs/dbraw/zinc/77/72/99/1346777299.db2.gz KRHKZEUITPXBKR-NRFANRHFSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045943279 1346779072 /nfs/dbraw/zinc/77/90/72/1346779072.db2.gz HNCCHUASYMEBKX-CTNGQTDRSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045944779 1346780862 /nfs/dbraw/zinc/78/08/62/1346780862.db2.gz IFHQEUYUVAFEJE-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950776 1346785591 /nfs/dbraw/zinc/78/55/91/1346785591.db2.gz LFODVCBWQSFLAS-HXUWFJFHSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966828 1346802331 /nfs/dbraw/zinc/80/23/31/1346802331.db2.gz HFYMHUXYZJOFBF-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977883 1346814773 /nfs/dbraw/zinc/81/47/73/1346814773.db2.gz KGDYFELYQUHXQG-OAQYLSRUSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1C[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450283 1346977890 /nfs/dbraw/zinc/97/78/90/1346977890.db2.gz RCIHCZILEDZOID-NRFANRHFSA-N 2 0 348.450 3.037 20 0 EGADRP C[C@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+](CC2CCCCC2)C1 ZINC001046450112 1346977998 /nfs/dbraw/zinc/97/79/98/1346977998.db2.gz PSXSCJJVWSPCDU-FQEVSTJZSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+](CC2=CCCCC2)C1 ZINC001046453277 1346979585 /nfs/dbraw/zinc/97/95/85/1346979585.db2.gz GJQLVPTUQBGZRZ-FQEVSTJZSA-N 2 0 338.455 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CC(CC)CC)C2)C1 ZINC001046561110 1347017590 /nfs/dbraw/zinc/01/75/90/1347017590.db2.gz DFYIHALIVOYHLN-AZUAARDMSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001046595750 1347031996 /nfs/dbraw/zinc/03/19/96/1347031996.db2.gz NOJVKKYLNNPTGM-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132442227 1375386160 /nfs/dbraw/zinc/38/61/60/1375386160.db2.gz XMNAYMFBUAZRTD-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863718 1347136891 /nfs/dbraw/zinc/13/68/91/1347136891.db2.gz HFOBXZIVIDDOMI-UZLBHIALSA-N 2 0 349.519 3.362 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047243726 1347269442 /nfs/dbraw/zinc/26/94/42/1347269442.db2.gz OBPJGNPEGBAEDC-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC3CCC3)CC2)C1)[NH+](C)C ZINC001047256480 1347279780 /nfs/dbraw/zinc/27/97/80/1347279780.db2.gz KVBMQAFVPBNDGM-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047266340 1347287483 /nfs/dbraw/zinc/28/74/83/1347287483.db2.gz WMLXTAXNOAWXSW-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698161 1357350276 /nfs/dbraw/zinc/35/02/76/1357350276.db2.gz MNTPMYWHWXSCDW-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CC3CCCC3)C2)CC1 ZINC001048022350 1347442301 /nfs/dbraw/zinc/44/23/01/1347442301.db2.gz UOWSVBSFTNXYQY-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048067762 1347457943 /nfs/dbraw/zinc/45/79/43/1347457943.db2.gz BGTRTEZYOJKOPT-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001048276413 1347508559 /nfs/dbraw/zinc/50/85/59/1347508559.db2.gz GYKBYNDGDQJNFR-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C2 ZINC001048530762 1347579708 /nfs/dbraw/zinc/57/97/08/1347579708.db2.gz BESIRZGQWASLAM-ACHSLPGTSA-N 2 0 349.544 3.193 20 0 EGADRP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529645 1347580146 /nfs/dbraw/zinc/58/01/46/1347580146.db2.gz UCUSKVNHWXJHPI-CFSBILQPSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001049478506 1347868788 /nfs/dbraw/zinc/86/87/88/1347868788.db2.gz PCMANKWLSMGROU-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477873 1347868873 /nfs/dbraw/zinc/86/88/73/1347868873.db2.gz JPJJFWWLVWWTTP-ZWKOTPCHSA-N 2 0 335.536 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049551843 1347905014 /nfs/dbraw/zinc/90/50/14/1347905014.db2.gz JGFQTXNZTMZMFH-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(C)C ZINC001049837164 1348049846 /nfs/dbraw/zinc/04/98/46/1348049846.db2.gz OFBBZVANYNINQR-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079805087 1357388282 /nfs/dbraw/zinc/38/82/82/1357388282.db2.gz IUHJGMGKDWNZJM-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC001050261643 1348221610 /nfs/dbraw/zinc/22/16/10/1348221610.db2.gz IMXHIOGDOPVEFT-JXFKEZNVSA-N 2 0 343.515 3.236 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001050356868 1348236525 /nfs/dbraw/zinc/23/65/25/1348236525.db2.gz GAOQZUYLOMMAPK-BJLQDIEVSA-N 2 0 349.563 3.457 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001050375061 1348242744 /nfs/dbraw/zinc/24/27/44/1348242744.db2.gz DWNFCUOUYGXTFA-MUGJNUQGSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001050392549 1348249386 /nfs/dbraw/zinc/24/93/86/1348249386.db2.gz PXKDXIIPDXHLID-QWFCFKBJSA-N 2 0 343.515 3.108 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523951 1348283402 /nfs/dbraw/zinc/28/34/02/1348283402.db2.gz NMODGSAHWKTFQF-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F)[NH+](C)C ZINC001051356350 1348442259 /nfs/dbraw/zinc/44/22/59/1348442259.db2.gz GIDHGUJIEZEOAI-MDZRGWNJSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1)[NH+](C)C ZINC001051356353 1348442389 /nfs/dbraw/zinc/44/23/89/1348442389.db2.gz RMPOOLHIHAIDTJ-IPELMVKDSA-N 2 0 349.494 3.198 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380697 1348536577 /nfs/dbraw/zinc/53/65/77/1348536577.db2.gz DNVFFVROJXILFR-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447947 1348544076 /nfs/dbraw/zinc/54/40/76/1348544076.db2.gz QKYJLQRSXFYOJB-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052499293 1348559962 /nfs/dbraw/zinc/55/99/62/1348559962.db2.gz SLCXZFDMEGDSOW-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052499311 1348560480 /nfs/dbraw/zinc/56/04/80/1348560480.db2.gz SWRCNBCWGONICG-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589153 1348587788 /nfs/dbraw/zinc/58/77/88/1348587788.db2.gz CZDVUXDKPANSJN-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620674 1348598007 /nfs/dbraw/zinc/59/80/07/1348598007.db2.gz RCSRCRXSKCKXBZ-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765466 1348670117 /nfs/dbraw/zinc/67/01/17/1348670117.db2.gz ZYIASDCGMHYMML-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787964 1348679476 /nfs/dbraw/zinc/67/94/76/1348679476.db2.gz OJRWIGDWKIWELM-RTBURBONSA-N 2 0 349.494 3.081 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786975 1348679737 /nfs/dbraw/zinc/67/97/37/1348679737.db2.gz FSAMMVCIQKEEGU-QFBILLFUSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788545 1348680049 /nfs/dbraw/zinc/68/00/49/1348680049.db2.gz SUFRNBXGVKLRES-FXAWDEMLSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052867334 1348710784 /nfs/dbraw/zinc/71/07/84/1348710784.db2.gz LIQLWYPJXMRQLC-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001052990032 1348790469 /nfs/dbraw/zinc/79/04/69/1348790469.db2.gz IMZJVQQJOUTVIH-KNHRPLGBSA-N 2 0 347.547 3.138 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053037360 1348837398 /nfs/dbraw/zinc/83/73/98/1348837398.db2.gz ZBHIRUZLKGAKKZ-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047749 1348849895 /nfs/dbraw/zinc/84/98/95/1348849895.db2.gz RTTQHSLKYLPDCH-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001054148374 1349154668 /nfs/dbraw/zinc/15/46/68/1349154668.db2.gz MEHBWPRRHNYUHS-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156233 1349159932 /nfs/dbraw/zinc/15/99/32/1349159932.db2.gz KOABHVWMVAGZRB-OAQYLSRUSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054292542 1349298575 /nfs/dbraw/zinc/29/85/75/1349298575.db2.gz KWNQUWBDKIOFNB-FQEVSTJZSA-N 2 0 343.515 3.149 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001054650892 1349429327 /nfs/dbraw/zinc/42/93/27/1349429327.db2.gz UMDWBPAJNMNQKQ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC001054854454 1349489129 /nfs/dbraw/zinc/48/91/29/1349489129.db2.gz ULZIPQAYSDTGKA-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924470 1359249894 /nfs/dbraw/zinc/24/98/94/1359249894.db2.gz TZLUVWHUEGCIQV-IPMKNSEASA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CCC(C)(C)C ZINC001071653012 1354828819 /nfs/dbraw/zinc/82/88/19/1354828819.db2.gz RBTNADLZCXTKBZ-WBVHZDCISA-N 2 0 342.487 3.353 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC001071685531 1354849574 /nfs/dbraw/zinc/84/95/74/1354849574.db2.gz DAQNQVFESMJXLL-APWZRJJASA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCC(C)(C)C ZINC001071870757 1354996039 /nfs/dbraw/zinc/99/60/39/1354996039.db2.gz DLWKAPNOKORJMF-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1=CCCCC1 ZINC001071873263 1354998502 /nfs/dbraw/zinc/99/85/02/1354998502.db2.gz UDTIKTHOGOMWCG-FXAWDEMLSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCCCCC1 ZINC001072081004 1355118130 /nfs/dbraw/zinc/11/81/30/1355118130.db2.gz FJVLRIARTWDIDL-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)[NH+](C)C ZINC001074066400 1356063522 /nfs/dbraw/zinc/06/35/22/1356063522.db2.gz DSMQPYHVOVNJEU-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001082698337 1358078244 /nfs/dbraw/zinc/07/82/44/1358078244.db2.gz BZMCWMIPVUKYBV-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082742783 1358085558 /nfs/dbraw/zinc/08/55/58/1358085558.db2.gz RUVDABMVKPZJCR-NLWGTHIKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001183496293 1387313515 /nfs/dbraw/zinc/31/35/15/1387313515.db2.gz GYJIBFRXZCXXLX-UYAOXDASSA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958369 1358355030 /nfs/dbraw/zinc/35/50/30/1358355030.db2.gz WSZGSONILMCEQO-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978317 1358358320 /nfs/dbraw/zinc/35/83/20/1358358320.db2.gz JMSIRSVZPREHMI-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)C1 ZINC001085224381 1358437366 /nfs/dbraw/zinc/43/73/66/1358437366.db2.gz BHYJBWBQHMYXLQ-XUVXKRRUSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085225399 1358437692 /nfs/dbraw/zinc/43/76/92/1358437692.db2.gz UUWJBVRMBBUGRC-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)ccc2c[nH+]cn21 ZINC001085252909 1358445254 /nfs/dbraw/zinc/44/52/54/1358445254.db2.gz NETCHDOGOSGFAG-RTBURBONSA-N 2 0 340.471 3.073 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085255087 1358445553 /nfs/dbraw/zinc/44/55/53/1358445553.db2.gz MYFIAJJZPHUGTE-AQNXPRMDSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001085257884 1358445995 /nfs/dbraw/zinc/44/59/95/1358445995.db2.gz DWUGYLZTYXAIEO-RTBURBONSA-N 2 0 345.531 3.132 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085432885 1358498495 /nfs/dbraw/zinc/49/84/95/1358498495.db2.gz UVDWCGDQLNDIGS-VAMGGRTRSA-N 2 0 347.547 3.378 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCCCC2)CC[N@@H+]1C ZINC001085605474 1358628314 /nfs/dbraw/zinc/62/83/14/1358628314.db2.gz KRSZWNNLPIGPDG-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1CC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782065 1358757414 /nfs/dbraw/zinc/75/74/14/1358757414.db2.gz MFKBXWBOJJGLGL-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)ccc2c[nH+]cn21 ZINC001183843959 1387357435 /nfs/dbraw/zinc/35/74/35/1387357435.db2.gz FMFWVRGFRDRLPM-NVXWUHKLSA-N 2 0 342.487 3.129 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086175075 1359015251 /nfs/dbraw/zinc/01/52/51/1359015251.db2.gz GDEKEFBEQMKAEW-AQNXPRMDSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086364499 1359078690 /nfs/dbraw/zinc/07/86/90/1359078690.db2.gz HQWDMCXCBLACCI-UFYCRDLUSA-N 2 0 347.547 3.234 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001086371162 1359079633 /nfs/dbraw/zinc/07/96/33/1359079633.db2.gz SXNRWUHIBFXOSX-LWYYNNOASA-N 2 0 349.563 3.172 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001086399393 1359087236 /nfs/dbraw/zinc/08/72/36/1359087236.db2.gz AGLVOUGKYLIKEH-UAFMIMERSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086533781 1359135127 /nfs/dbraw/zinc/13/51/27/1359135127.db2.gz ZTEZMZGAKDMCFO-OWYHZJEWSA-N 2 0 349.563 3.027 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001086850177 1359213886 /nfs/dbraw/zinc/21/38/86/1359213886.db2.gz ULERWSUDNDNGLE-OTWHNJEPSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921511 1359248226 /nfs/dbraw/zinc/24/82/26/1359248226.db2.gz RJJPEPTWIQPVLH-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086927077 1359252115 /nfs/dbraw/zinc/25/21/15/1359252115.db2.gz RNJXMBDVHKICMU-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303495 1359387183 /nfs/dbraw/zinc/38/71/83/1359387183.db2.gz MLXAYAJBMDCHHY-QRQLOZEOSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC=C(C)C)[C@@H]2CC)C1 ZINC001087696768 1359597236 /nfs/dbraw/zinc/59/72/36/1359597236.db2.gz LSZWWQXATSQHRT-GBESFXJTSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCCC1 ZINC001087712086 1359603899 /nfs/dbraw/zinc/60/38/99/1359603899.db2.gz NVVBAYRTHQRCIR-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001087749739 1359626070 /nfs/dbraw/zinc/62/60/70/1359626070.db2.gz XNZYJBIZIUHGMK-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088369796 1359852837 /nfs/dbraw/zinc/85/28/37/1359852837.db2.gz SIJGKACBWNQBHJ-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088382229 1359865213 /nfs/dbraw/zinc/86/52/13/1359865213.db2.gz XBDBKAXJJFZODG-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088381603 1359865556 /nfs/dbraw/zinc/86/55/56/1359865556.db2.gz IUAHFFCIYFSNOT-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088394606 1359871012 /nfs/dbraw/zinc/87/10/12/1359871012.db2.gz KMBHNQMBDPBNLC-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088430286 1359897837 /nfs/dbraw/zinc/89/78/37/1359897837.db2.gz LLIFBGLFEUAZNR-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088693395 1360015524 /nfs/dbraw/zinc/01/55/24/1360015524.db2.gz XWEFKMWGFDEVKS-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769900 1360037160 /nfs/dbraw/zinc/03/71/60/1360037160.db2.gz MDNFMPKKTGHILE-QKLQHJQFSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812013 1360059809 /nfs/dbraw/zinc/05/98/09/1360059809.db2.gz HXIQGUPRIMMOPJ-YZGWKJHDSA-N 2 0 347.547 3.329 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922363 1360103849 /nfs/dbraw/zinc/10/38/49/1360103849.db2.gz HACXBQFJNYWVOK-UZLBHIALSA-N 2 0 345.531 3.377 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001089061117 1360152683 /nfs/dbraw/zinc/15/26/83/1360152683.db2.gz YIEJXYOGXZKQIX-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089392466 1360393277 /nfs/dbraw/zinc/39/32/77/1360393277.db2.gz UYXVSKLPTYAVHR-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089401934 1360401682 /nfs/dbraw/zinc/40/16/82/1360401682.db2.gz ZPPLCZXEFGIFOQ-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421508 1360415755 /nfs/dbraw/zinc/41/57/55/1360415755.db2.gz VEELPPORJFHDRG-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089488218 1360467933 /nfs/dbraw/zinc/46/79/33/1360467933.db2.gz SNRJSPMCRPQIPC-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)CC1 ZINC001089534676 1360494737 /nfs/dbraw/zinc/49/47/37/1360494737.db2.gz UQGLDNISXJTNKZ-GOSISDBHSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564862 1360511510 /nfs/dbraw/zinc/51/15/10/1360511510.db2.gz KFVLLZWQRUZQRU-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616424 1360536704 /nfs/dbraw/zinc/53/67/04/1360536704.db2.gz GVAPRMBVMMPNJT-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663991 1360573914 /nfs/dbraw/zinc/57/39/14/1360573914.db2.gz BSXUDVZDPPUQEC-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[N@H+](CC2CCC2)C1 ZINC001089665474 1360576120 /nfs/dbraw/zinc/57/61/20/1360576120.db2.gz XKCMGXZTMZSSCM-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC)o1 ZINC001089734811 1360639343 /nfs/dbraw/zinc/63/93/43/1360639343.db2.gz YGKVOOYOYPBCSJ-INIZCTEOSA-N 2 0 349.519 3.362 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091055252 1360987821 /nfs/dbraw/zinc/98/78/21/1360987821.db2.gz KRDOPRBXPUVPOC-UHFFFAOYSA-N 2 0 349.544 3.098 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091377422 1361067999 /nfs/dbraw/zinc/06/79/99/1361067999.db2.gz JAEKNMFAPABUDL-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1N(C)C ZINC001323990378 1387504963 /nfs/dbraw/zinc/50/49/63/1387504963.db2.gz IAPUMJVPWMNXOI-SNRMKQJTSA-N 2 0 331.504 3.429 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302979 1361359043 /nfs/dbraw/zinc/35/90/43/1361359043.db2.gz LLDKDBIMNZRUMQ-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092602611 1361419427 /nfs/dbraw/zinc/41/94/27/1361419427.db2.gz HLECPAPHWICXQA-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092602601 1361420034 /nfs/dbraw/zinc/42/00/34/1361420034.db2.gz HDGFEMSYUSTGBH-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736130 1361449530 /nfs/dbraw/zinc/44/95/30/1361449530.db2.gz MHKNPSRIWVPZOS-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184725288 1387521006 /nfs/dbraw/zinc/52/10/06/1387521006.db2.gz RSCYDHVAZJESIO-RBUKOAKNSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094420313 1361794167 /nfs/dbraw/zinc/79/41/67/1361794167.db2.gz XNKWFBCUFGEMMV-XLBJILASSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001324096916 1387539506 /nfs/dbraw/zinc/53/95/06/1387539506.db2.gz FWHUHKPLQIXDAI-WMJDKPPMSA-N 2 0 349.906 3.083 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095404888 1362129728 /nfs/dbraw/zinc/12/97/28/1362129728.db2.gz DQKPLOOHFOXDIV-FYQPLNBISA-N 2 0 347.547 3.161 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097075158 1362834384 /nfs/dbraw/zinc/83/43/84/1362834384.db2.gz QICZVHCIFZUHBK-QRVBRYPASA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218819 1362890813 /nfs/dbraw/zinc/89/08/13/1362890813.db2.gz KMPRMUHLEYIUJR-YSTOQKLRSA-N 2 0 345.531 3.081 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)CC1 ZINC001097774833 1363118520 /nfs/dbraw/zinc/11/85/20/1363118520.db2.gz FSTWKSGMEIGWDY-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137703 1363231242 /nfs/dbraw/zinc/23/12/42/1363231242.db2.gz SACQLPAYRBFFMT-AQNXPRMDSA-N 2 0 349.563 3.265 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001098464292 1363333570 /nfs/dbraw/zinc/33/35/70/1363333570.db2.gz VHBFEFPLGCOHSD-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120606 1387623032 /nfs/dbraw/zinc/62/30/32/1387623032.db2.gz ULCDECNOHZCETK-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CC1CC(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001099106752 1363625194 /nfs/dbraw/zinc/62/51/94/1363625194.db2.gz NLKJYTLQPWRXCT-DAWZGUTISA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115651 1363632409 /nfs/dbraw/zinc/63/24/09/1363632409.db2.gz IZQKSFWPOYCHAT-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC[C@@H](C)F ZINC001099131300 1363643445 /nfs/dbraw/zinc/64/34/45/1363643445.db2.gz ZQECGRMTMQCZGV-HZPDHXFCSA-N 2 0 343.531 3.072 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099202704 1363690230 /nfs/dbraw/zinc/69/02/30/1363690230.db2.gz DYHNMUFFACUBJW-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001099203417 1363691008 /nfs/dbraw/zinc/69/10/08/1363691008.db2.gz MPNPPJYXZIGECB-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001099241358 1363709929 /nfs/dbraw/zinc/70/99/29/1363709929.db2.gz ZHLMIKOBHOWSLG-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339042 1363758587 /nfs/dbraw/zinc/75/85/87/1363758587.db2.gz CUPFOVBLUPKZPB-OOFWQKGWSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348025 1363764838 /nfs/dbraw/zinc/76/48/38/1363764838.db2.gz FITAFOMZIWULJS-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099355357 1363768994 /nfs/dbraw/zinc/76/89/94/1363768994.db2.gz ZPAJABGWBCWSNW-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099535515 1363837632 /nfs/dbraw/zinc/83/76/32/1363837632.db2.gz GXTCGEPBUYUSPB-YRPNKDGESA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099543528 1363840693 /nfs/dbraw/zinc/84/06/93/1363840693.db2.gz HIBQNINDLZDODU-MUGJNUQGSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551649 1363844314 /nfs/dbraw/zinc/84/43/14/1363844314.db2.gz AQMWEFJSWRPMKE-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001100333125 1364082190 /nfs/dbraw/zinc/08/21/90/1364082190.db2.gz XFBDAIAIEJAVCU-XBMUEBEBSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2cc(C)ccc2C)C1 ZINC001100458665 1364121497 /nfs/dbraw/zinc/12/14/97/1364121497.db2.gz DTKZDNAXSUVXNJ-UHFFFAOYSA-N 2 0 345.531 3.018 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1CC([NH2+]CCCC(C)C)C1)C(C)C ZINC001100766091 1364251939 /nfs/dbraw/zinc/25/19/39/1364251939.db2.gz PDGPFWMALKLPDV-ACBHZAAOSA-N 2 0 339.568 3.273 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]C[C@@H](C)CC)C1 ZINC001100856489 1364294202 /nfs/dbraw/zinc/29/42/02/1364294202.db2.gz GWQQVWDRDFUPAR-VIQWUECVSA-N 2 0 339.568 3.419 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100996633 1364362875 /nfs/dbraw/zinc/36/28/75/1364362875.db2.gz CAVQHKCTIJOPKW-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H]([NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001101031402 1364382279 /nfs/dbraw/zinc/38/22/79/1364382279.db2.gz BKPJAPPPGCRBKM-ZJRDLVKKSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033192 1364382535 /nfs/dbraw/zinc/38/25/35/1364382535.db2.gz GURGEBKZWYCBDY-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001101060101 1364396193 /nfs/dbraw/zinc/39/61/93/1364396193.db2.gz LZIWMZOPGCICNS-GTPINHCMSA-N 2 0 349.519 3.266 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101239943 1364481871 /nfs/dbraw/zinc/48/18/71/1364481871.db2.gz KBYGEVNHNSLFGC-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474130 1364575499 /nfs/dbraw/zinc/57/54/99/1364575499.db2.gz IYPUFVJNWWJICW-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001101596011 1364646743 /nfs/dbraw/zinc/64/67/43/1364646743.db2.gz FPYCHZGKWCIKAM-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060593 1364828621 /nfs/dbraw/zinc/82/86/21/1364828621.db2.gz HRFOYFNHZNXPOX-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324647137 1387717128 /nfs/dbraw/zinc/71/71/28/1387717128.db2.gz LUPOWIZCILXNEC-UWJYYQICSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648874 1387717321 /nfs/dbraw/zinc/71/73/21/1387717321.db2.gz XEKMZXQRJFZJMF-YLJYHZDGSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](CC)c2ccccc2)C[C@H]1C ZINC001102525851 1365099689 /nfs/dbraw/zinc/09/96/89/1365099689.db2.gz YAMNEOKVIWQTFX-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]1C ZINC001185471202 1387723777 /nfs/dbraw/zinc/72/37/77/1387723777.db2.gz MEEAPQUGFTXSES-RBUKOAKNSA-N 2 0 339.568 3.373 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977217 1365324901 /nfs/dbraw/zinc/32/49/01/1365324901.db2.gz RCBFISHVFKZJTK-JCHUFIKGSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085334 1365372855 /nfs/dbraw/zinc/37/28/55/1365372855.db2.gz QHNHBDGNZVQYGN-GGPKGHCWSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398561 1365535890 /nfs/dbraw/zinc/53/58/90/1365535890.db2.gz YMRFWPXPZOOLAH-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103543944 1365624726 /nfs/dbraw/zinc/62/47/26/1365624726.db2.gz AYQOBOKQLGZBHO-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103612548 1365675905 /nfs/dbraw/zinc/67/59/05/1365675905.db2.gz IJFUOMYMDZCKFM-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+](CC)CC ZINC001185609604 1387760395 /nfs/dbraw/zinc/76/03/95/1387760395.db2.gz MCNLKAMYBWGSOU-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@]1(C[NH2+]CC2CCCCC2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001324753433 1387760705 /nfs/dbraw/zinc/76/07/05/1387760705.db2.gz WHELQJPWKNSSDK-FQEVSTJZSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196089 1365948089 /nfs/dbraw/zinc/94/80/89/1365948089.db2.gz ILBRBFDUIBKLGJ-GUDVDZBRSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001104211053 1365952683 /nfs/dbraw/zinc/95/26/83/1365952683.db2.gz PCLAWNNYOLELSV-APJDINJDSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001104370070 1365991395 /nfs/dbraw/zinc/99/13/95/1365991395.db2.gz OMVBLJHLUQIJCN-IAGOWNOFSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104421081 1366017399 /nfs/dbraw/zinc/01/73/99/1366017399.db2.gz ASWLNQLUJYDQKR-GVDBMIGSSA-N 2 0 342.487 3.068 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001185709535 1387783868 /nfs/dbraw/zinc/78/38/68/1387783868.db2.gz IOIKEKFNXKKVHB-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001324834671 1387785677 /nfs/dbraw/zinc/78/56/77/1387785677.db2.gz SOVUUZVPHSYDGJ-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676345 1366127478 /nfs/dbraw/zinc/12/74/78/1366127478.db2.gz GBJSUFGRPSLVCP-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001185764341 1387792988 /nfs/dbraw/zinc/79/29/88/1387792988.db2.gz YHEHGKJHVIRBCV-IDPBEMBBSA-N 2 0 337.552 3.147 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067404 1366304290 /nfs/dbraw/zinc/30/42/90/1366304290.db2.gz ZFUPDHRMLWWVGW-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517815 1366504999 /nfs/dbraw/zinc/50/49/99/1366504999.db2.gz KIEURNBPEQWQMR-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC2([NH+](C)C)CCCC2)CCC1 ZINC001105549198 1366524778 /nfs/dbraw/zinc/52/47/78/1366524778.db2.gz CUBVQYXHZVAEPJ-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106245854 1366632788 /nfs/dbraw/zinc/63/27/88/1366632788.db2.gz FJZGADJJHDAXQG-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106340196 1366660706 /nfs/dbraw/zinc/66/07/06/1366660706.db2.gz ORPMGPHPHIMWMA-IEBWSBKVSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001106599209 1366750960 /nfs/dbraw/zinc/75/09/60/1366750960.db2.gz DEQZUSZISDBAQE-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633963 1366761390 /nfs/dbraw/zinc/76/13/90/1366761390.db2.gz XUUNZSZJCQVUPD-FMABSTRRSA-N 2 0 337.552 3.003 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729744 1366783120 /nfs/dbraw/zinc/78/31/20/1366783120.db2.gz XNLJQEABENDMCH-PFRNKHFKSA-N 2 0 349.563 3.290 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106839617 1366813252 /nfs/dbraw/zinc/81/32/52/1366813252.db2.gz LJODOILDQSTEFN-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001107042504 1366863621 /nfs/dbraw/zinc/86/36/21/1366863621.db2.gz PHQLFXPZAPKKPT-QWFCFKBJSA-N 2 0 345.531 3.080 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435790 1366962771 /nfs/dbraw/zinc/96/27/71/1366962771.db2.gz AFRNOSWNIWZZOM-QKNQBKEWSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450532 1366967881 /nfs/dbraw/zinc/96/78/81/1366967881.db2.gz KHUJBOVAEVUDEP-PVGIVHLXSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001107524039 1367017811 /nfs/dbraw/zinc/01/78/11/1367017811.db2.gz DOBLPEPEDMJWBP-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530757 1367022729 /nfs/dbraw/zinc/02/27/29/1367022729.db2.gz KDTWDLXIZSDLJZ-CWHLKURSSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568014 1367048308 /nfs/dbraw/zinc/04/83/08/1367048308.db2.gz RGZFFRCOBFECGX-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587669 1367059405 /nfs/dbraw/zinc/05/94/05/1367059405.db2.gz UUBWJAIDNNSUCF-TZIWHRDSSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001107616228 1367074361 /nfs/dbraw/zinc/07/43/61/1367074361.db2.gz YMGVHZQDDZXQCZ-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645440 1367090568 /nfs/dbraw/zinc/09/05/68/1367090568.db2.gz YTDKHDXWKXTXIL-UYAOXDASSA-N 2 0 335.536 3.023 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001189871359 1367121540 /nfs/dbraw/zinc/12/15/40/1367121540.db2.gz LKSDXTGCGGYYGK-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190084749 1367168727 /nfs/dbraw/zinc/16/87/27/1367168727.db2.gz RQSVSHRTPRPJNR-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001186074882 1387859251 /nfs/dbraw/zinc/85/92/51/1387859251.db2.gz JVMYVXKDGCFKPF-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672569 1367275075 /nfs/dbraw/zinc/27/50/75/1367275075.db2.gz KRRIGVNNPZDBIL-ZSGPHXLJSA-N 2 0 349.906 3.074 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109719067 1367291964 /nfs/dbraw/zinc/29/19/64/1367291964.db2.gz TVDPWELPIPIXPV-BDXSIMOUSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724434 1367293562 /nfs/dbraw/zinc/29/35/62/1367293562.db2.gz SBGVPMSHJXOKOY-SQNIBIBYSA-N 2 0 337.552 3.122 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190657063 1367319612 /nfs/dbraw/zinc/31/96/12/1367319612.db2.gz YHBNMJYWGZKIQM-UNQUKWGNSA-N 2 0 347.547 3.282 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798452 1367329068 /nfs/dbraw/zinc/32/90/68/1367329068.db2.gz HEJRUIMBZWYDPJ-ZOYAEOFMSA-N 2 0 347.547 3.186 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890351 1367375535 /nfs/dbraw/zinc/37/55/35/1367375535.db2.gz PTXVVZHVQQMJGY-UEKDZROGSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109880012 1367379039 /nfs/dbraw/zinc/37/90/39/1367379039.db2.gz WYEKZWVWLLQVRV-YRPNKDGESA-N 2 0 349.563 3.122 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001110016389 1367459473 /nfs/dbraw/zinc/45/94/73/1367459473.db2.gz LUKGDXNNACUUBG-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191541731 1367524455 /nfs/dbraw/zinc/52/44/55/1367524455.db2.gz BLKHRPLDPHCQTF-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153622 1367527469 /nfs/dbraw/zinc/52/74/69/1367527469.db2.gz DHFYNGRSQNCMEW-HILSMNSFSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccsc3)C2)CCCC1 ZINC001191561493 1367528574 /nfs/dbraw/zinc/52/85/74/1367528574.db2.gz PBKXTZOZXFHSSH-QGZVFWFLSA-N 2 0 349.544 3.045 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001110159914 1367532582 /nfs/dbraw/zinc/53/25/82/1367532582.db2.gz ZQXJRZNERAVDNP-QYZOEREBSA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108702786 1367542423 /nfs/dbraw/zinc/54/24/23/1367542423.db2.gz BGMROAQYRSITIA-PMEOWRCESA-N 2 0 347.547 3.186 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738760 1367567784 /nfs/dbraw/zinc/56/77/84/1367567784.db2.gz HGVXBBAAJMCCEC-CMZLPQLFSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789114 1367597645 /nfs/dbraw/zinc/59/76/45/1367597645.db2.gz DUBYXDZPGCFTKV-SXLOBPIMSA-N 2 0 347.547 3.042 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801003 1367603892 /nfs/dbraw/zinc/60/38/92/1367603892.db2.gz PXVPRMQLGJGCLR-GRMGMVGISA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1)[NH+](CC)CC ZINC001192323047 1367751421 /nfs/dbraw/zinc/75/14/21/1367751421.db2.gz AAIXQHKJDSCAAC-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110544824 1367822148 /nfs/dbraw/zinc/82/21/48/1367822148.db2.gz HGKBEZSLIUBUOL-CQELEZKQSA-N 2 0 347.547 3.327 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671363 1367846203 /nfs/dbraw/zinc/84/62/03/1367846203.db2.gz IVIQZVPREIIVMN-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671362 1367846693 /nfs/dbraw/zinc/84/66/93/1367846693.db2.gz IVIQZVPREIIVMN-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661094 1367903648 /nfs/dbraw/zinc/90/36/48/1367903648.db2.gz MRHPNRFZSDYUPI-NMLBUPMWSA-N 2 0 349.563 3.266 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)CCCC3CCCC3)C2)CC1 ZINC001193025827 1367926266 /nfs/dbraw/zinc/92/62/66/1367926266.db2.gz GVGLCXHVQNFEEW-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001193423502 1368025432 /nfs/dbraw/zinc/02/54/32/1368025432.db2.gz AYHNIJRSWGTEDL-IBGZPJMESA-N 2 0 339.568 3.467 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001193424475 1368026476 /nfs/dbraw/zinc/02/64/76/1368026476.db2.gz MNCFJFGGEGUTRV-ZWKOTPCHSA-N 2 0 343.531 3.169 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559014 1368061051 /nfs/dbraw/zinc/06/10/51/1368061051.db2.gz GOCMNQQIQYVRHS-SJORKVTESA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001193570759 1368064743 /nfs/dbraw/zinc/06/47/43/1368064743.db2.gz MQGSPFATSXLIPZ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097046 1368158721 /nfs/dbraw/zinc/15/87/21/1368158721.db2.gz ICTRVKKYOVXOPF-NMLBUPMWSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245441 1368216437 /nfs/dbraw/zinc/21/64/37/1368216437.db2.gz AIXWLZIWIBTZCA-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245530 1368216575 /nfs/dbraw/zinc/21/65/75/1368216575.db2.gz BVNKFMFDJPZSQM-VOFKWLDRSA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001111309518 1368263158 /nfs/dbraw/zinc/26/31/58/1368263158.db2.gz SBHVQGSCCMOTRY-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782540 1368460343 /nfs/dbraw/zinc/46/03/43/1368460343.db2.gz NBVURBDQDWOCPO-BJLQDIEVSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195853460 1368504522 /nfs/dbraw/zinc/50/45/22/1368504522.db2.gz JMMGJDFPWGQDCD-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851460 1368505676 /nfs/dbraw/zinc/50/56/76/1368505676.db2.gz AYTIGLGYUVDGBH-KHPHJJPSSA-N 2 0 347.547 3.044 20 0 EGADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCCC1)C2 ZINC001111862617 1368512354 /nfs/dbraw/zinc/51/23/54/1368512354.db2.gz VTLQUVIJFOVSBU-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC001195902770 1368513841 /nfs/dbraw/zinc/51/38/41/1368513841.db2.gz OPXRZOOMPMMTBS-YADHBBJMSA-N 2 0 343.559 3.498 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873053 1368520147 /nfs/dbraw/zinc/52/01/47/1368520147.db2.gz HLOUXHQDJOORPQ-MVRCGGMCSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163209 1368560215 /nfs/dbraw/zinc/56/02/15/1368560215.db2.gz IXSUXWCPUUGWNK-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001111952342 1368572590 /nfs/dbraw/zinc/57/25/90/1368572590.db2.gz DDKIIRKZMJSVSH-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196944126 1368718343 /nfs/dbraw/zinc/71/83/43/1368718343.db2.gz YQPJYOLCDHEMPV-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001196962915 1368721776 /nfs/dbraw/zinc/72/17/76/1368721776.db2.gz LDPOTGWDOJPHLN-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484646 1368824313 /nfs/dbraw/zinc/82/43/13/1368824313.db2.gz HNZUODMNMGVNSH-IBGZPJMESA-N 2 0 339.568 3.323 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001197660253 1368867464 /nfs/dbraw/zinc/86/74/64/1368867464.db2.gz YHTRZNCMJUJZHZ-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001197691364 1368873781 /nfs/dbraw/zinc/87/37/81/1368873781.db2.gz HBDAZUJIFXDVKW-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197809790 1368903828 /nfs/dbraw/zinc/90/38/28/1368903828.db2.gz INEBUUNWERLDPS-NHQAVIFJSA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529597 1368915879 /nfs/dbraw/zinc/91/58/79/1368915879.db2.gz HAADWLJCXXUAPH-XQMISQMHSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548761 1368923376 /nfs/dbraw/zinc/92/33/76/1368923376.db2.gz QDLKXGDQZKANBK-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563041 1368929567 /nfs/dbraw/zinc/92/95/67/1368929567.db2.gz CEVMFXDSACQLSH-DYXWJJEUSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198244195 1368987853 /nfs/dbraw/zinc/98/78/53/1368987853.db2.gz UPIDXMXVPNLBEB-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC(C)[PH+](CCNC(=O)c1cncn1-c1cc[nH+]cc1)C(C)C ZINC001198561665 1369061378 /nfs/dbraw/zinc/06/13/78/1369061378.db2.gz SNMFWLVAVNTFQU-UHFFFAOYSA-N 2 0 332.388 3.296 20 0 EGADRP CCC/C=C\CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966166 1369113239 /nfs/dbraw/zinc/11/32/39/1369113239.db2.gz UPCOJOJGOORZBX-RURPWVQCSA-N 2 0 335.536 3.140 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001113032674 1369153459 /nfs/dbraw/zinc/15/34/59/1369153459.db2.gz AQEGQWWQCAVVAV-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001200046165 1369307510 /nfs/dbraw/zinc/30/75/10/1369307510.db2.gz KFWQNYQHANRPSD-NRSPTQNISA-N 2 0 329.532 3.391 20 0 EGADRP C[C@H](C[NH2+]C[C@H](C)N1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC001200267321 1369338894 /nfs/dbraw/zinc/33/88/94/1369338894.db2.gz FMCVMJBGAOPUDV-OALUTQOASA-N 2 0 345.575 3.388 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200507746 1369382812 /nfs/dbraw/zinc/38/28/12/1369382812.db2.gz QKXARTHIYZHGFK-GHOSXJJBSA-N 2 0 335.536 3.186 20 0 EGADRP CCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577868 1369393231 /nfs/dbraw/zinc/39/32/31/1369393231.db2.gz IPVXHZCLJODIDI-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001113439732 1369429970 /nfs/dbraw/zinc/42/99/70/1369429970.db2.gz QMRJLULHDOZZEY-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200828860 1369434996 /nfs/dbraw/zinc/43/49/96/1369434996.db2.gz HMXSOVVBGSDQIL-UHFFFAOYSA-N 2 0 337.533 3.194 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201044074 1369470776 /nfs/dbraw/zinc/47/07/76/1369470776.db2.gz PBDWKLKYNFYKMB-UEKDZROGSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001201321786 1369518910 /nfs/dbraw/zinc/51/89/10/1369518910.db2.gz WEOFSDGZGYQXDF-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400753 1369537169 /nfs/dbraw/zinc/53/71/69/1369537169.db2.gz TYUCRXPWGZXZPM-ROUKRRSUSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)(C)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201434982 1369545490 /nfs/dbraw/zinc/54/54/90/1369545490.db2.gz NOHPNVJBARARLM-FPOVZHCZSA-N 2 0 334.548 3.493 20 0 EGADRP C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325605991 1388010036 /nfs/dbraw/zinc/01/00/36/1388010036.db2.gz ILLRBDGEHIHWED-OYNPSCLESA-N 2 0 329.532 3.359 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201505518 1369558520 /nfs/dbraw/zinc/55/85/20/1369558520.db2.gz ZVNNBWQXWZZRPF-HKUYNNGSSA-N 2 0 331.504 3.183 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113679120 1369562080 /nfs/dbraw/zinc/56/20/80/1369562080.db2.gz CSLGWWDXWRWYBR-FQEVSTJZSA-N 2 0 343.515 3.158 20 0 EGADRP Cc1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC001201634795 1369594777 /nfs/dbraw/zinc/59/47/77/1369594777.db2.gz SEURAJWHFKJFGU-SFHVURJKSA-N 2 0 345.512 3.006 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3nc(Cl)ccc3Cl)cc[nH+]2)CC1 ZINC001201657900 1369598573 /nfs/dbraw/zinc/59/85/73/1369598573.db2.gz PHDPEQJHIBGHQY-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCCc3ccccc3)C2)C1 ZINC001201661856 1369600354 /nfs/dbraw/zinc/60/03/54/1369600354.db2.gz UWFUOQGSWRLFJL-FGZHOGPDSA-N 2 0 342.527 3.300 20 0 EGADRP COc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC001201663308 1369600569 /nfs/dbraw/zinc/60/05/69/1369600569.db2.gz BQEYUVOQSWLZAD-UHFFFAOYSA-N 2 0 329.419 3.236 20 0 EGADRP Cc1cccn2c(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cnc12 ZINC001201663496 1369600921 /nfs/dbraw/zinc/60/09/21/1369600921.db2.gz FIHMJPODINVZQC-UHFFFAOYSA-N 2 0 335.455 3.044 20 0 EGADRP Cc1ccc2c(cccc2Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)n1 ZINC001201666955 1369601447 /nfs/dbraw/zinc/60/14/47/1369601447.db2.gz JRFVZZDKKDQVIU-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP Cc1ccc2cccc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)c2n1 ZINC001201666217 1369601999 /nfs/dbraw/zinc/60/19/99/1369601999.db2.gz NQERNCIGCGOZFS-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP Cc1ccc2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)ccc2n1 ZINC001201666169 1369602078 /nfs/dbraw/zinc/60/20/78/1369602078.db2.gz LOKGLYWTBJDSHU-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP CSc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001201794838 1369625197 /nfs/dbraw/zinc/62/51/97/1369625197.db2.gz KINQVDNMYLPBKC-UHFFFAOYSA-N 2 0 328.485 3.167 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201801269 1369626482 /nfs/dbraw/zinc/62/64/82/1369626482.db2.gz HLNJZBBYHJRPIA-WAYWQWQTSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC001202764805 1369884203 /nfs/dbraw/zinc/88/42/03/1369884203.db2.gz PDMFOBWWFLSEAB-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202872520 1369914395 /nfs/dbraw/zinc/91/43/95/1369914395.db2.gz HGBSIYUHDIFCEJ-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202929470 1369928751 /nfs/dbraw/zinc/92/87/51/1369928751.db2.gz NIOWXOMEPDVJMR-ROUUACIJSA-N 2 0 347.547 3.234 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1)C1CC1 ZINC001325743621 1388039664 /nfs/dbraw/zinc/03/96/64/1388039664.db2.gz PVIWTSXUYJJKQD-IPMKNSEASA-N 2 0 327.472 3.045 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203122747 1369989872 /nfs/dbraw/zinc/98/98/72/1369989872.db2.gz JPIVIQQJSARAOP-ROUUACIJSA-N 2 0 340.471 3.073 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001114626691 1369999313 /nfs/dbraw/zinc/99/93/13/1369999313.db2.gz KARHRXUQFJRGCA-ITZQATRGSA-N 2 0 347.547 3.044 20 0 EGADRP CCc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)on1 ZINC001203220192 1370030209 /nfs/dbraw/zinc/03/02/09/1370030209.db2.gz QTMZJERKPTWYFS-UHFFFAOYSA-N 2 0 329.444 3.318 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203255811 1370044210 /nfs/dbraw/zinc/04/42/10/1370044210.db2.gz FJBKHCANWPYPEC-QZTJIDSGSA-N 2 0 349.563 3.458 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259974 1370047508 /nfs/dbraw/zinc/04/75/08/1370047508.db2.gz ZKRGTHAIEOWNOI-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1)c1ccccc1 ZINC001187035147 1388043385 /nfs/dbraw/zinc/04/33/85/1388043385.db2.gz VVGAWKHSNLJYLQ-RTBURBONSA-N 2 0 349.494 3.010 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203632777 1370194329 /nfs/dbraw/zinc/19/43/29/1370194329.db2.gz VGUJYPFTBVQBJJ-YMHTTXFNSA-N 2 0 349.563 3.482 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641641 1370198697 /nfs/dbraw/zinc/19/86/97/1370198697.db2.gz SQQTXXDUONSMQC-IBQUMJASSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203652727 1370203164 /nfs/dbraw/zinc/20/31/64/1370203164.db2.gz XAECORGTBFPLJY-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC001203739571 1370244088 /nfs/dbraw/zinc/24/40/88/1370244088.db2.gz JOCZJRFBXVZWNA-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203741518 1370244490 /nfs/dbraw/zinc/24/44/90/1370244490.db2.gz HDVRBXCCJWGTGV-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203771100 1370258528 /nfs/dbraw/zinc/25/85/28/1370258528.db2.gz LTYRADDIHIPMKR-ROUUACIJSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203781791 1370261636 /nfs/dbraw/zinc/26/16/36/1370261636.db2.gz LBSLGPPNIISGJM-OALUTQOASA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203791327 1370266011 /nfs/dbraw/zinc/26/60/11/1370266011.db2.gz HGZODZGGKOHNFH-MOPGFXCFSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203791328 1370266322 /nfs/dbraw/zinc/26/63/22/1370266322.db2.gz HGZODZGGKOHNFH-OALUTQOASA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001115104004 1370281165 /nfs/dbraw/zinc/28/11/65/1370281165.db2.gz QBCTZOUKFXIABF-WCIQWLHISA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203826177 1370281453 /nfs/dbraw/zinc/28/14/53/1370281453.db2.gz XEHSJDOTPMXJHT-ZWKOTPCHSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001203904482 1370308522 /nfs/dbraw/zinc/30/85/22/1370308522.db2.gz YAGULTIJYHQXOB-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115249803 1370344506 /nfs/dbraw/zinc/34/45/06/1370344506.db2.gz NCEYAVDYHVPTRS-RUYXUALKSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001204269101 1370427712 /nfs/dbraw/zinc/42/77/12/1370427712.db2.gz UOHCWXZMASUVRS-OAHLLOKOSA-N 2 0 330.394 3.401 20 0 EGADRP CCN(CC[NH+]1CCCCC1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204270040 1370428182 /nfs/dbraw/zinc/42/81/82/1370428182.db2.gz OBWVRHVJOAYUAE-UHFFFAOYSA-N 2 0 347.547 3.325 20 0 EGADRP CCCCCCOc1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001204366000 1370454950 /nfs/dbraw/zinc/45/49/50/1370454950.db2.gz FNQXUGFAZUDQNM-UHFFFAOYSA-N 2 0 347.547 3.325 20 0 EGADRP CC1CCC(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCCCC2)CC1 ZINC001115451035 1370459247 /nfs/dbraw/zinc/45/92/47/1370459247.db2.gz YHCBTDJZMGKSQE-CTWPCTMYSA-N 2 0 349.563 3.316 20 0 EGADRP COc1cc(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001204748399 1370564521 /nfs/dbraw/zinc/56/45/21/1370564521.db2.gz KMRUGKWJKJYSOD-UHFFFAOYSA-N 2 0 326.843 3.453 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1)C1CC1 ZINC001115572952 1370575239 /nfs/dbraw/zinc/57/52/39/1370575239.db2.gz AZQKLLIPUNAJJI-IBGZPJMESA-N 2 0 347.547 3.236 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573729 1370576677 /nfs/dbraw/zinc/57/66/77/1370576677.db2.gz VIYXOOCUGHVAEH-OVKVCFKUSA-N 2 0 349.563 3.482 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115598203 1370598222 /nfs/dbraw/zinc/59/82/22/1370598222.db2.gz KMGNJXLRBYMKGU-QGZVFWFLSA-N 2 0 341.515 3.019 20 0 EGADRP C[C@@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001204897457 1370599297 /nfs/dbraw/zinc/59/92/97/1370599297.db2.gz ZBFMMZIPDIAMBI-MSYCTHLASA-N 2 0 349.522 3.296 20 0 EGADRP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001204895824 1370599874 /nfs/dbraw/zinc/59/98/74/1370599874.db2.gz DGGILTRMBPHINE-MSOLQXFVSA-N 2 0 335.495 3.385 20 0 EGADRP Cc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1F ZINC001204952787 1370614459 /nfs/dbraw/zinc/61/44/59/1370614459.db2.gz LEDBEVYTNCPUBO-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCCCC2)C1 ZINC001115662005 1370646532 /nfs/dbraw/zinc/64/65/32/1370646532.db2.gz YVRSGRVDDALKFA-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115708120 1370687443 /nfs/dbraw/zinc/68/74/43/1370687443.db2.gz PAQCXOLDKGWMHX-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115707952 1370687717 /nfs/dbraw/zinc/68/77/17/1370687717.db2.gz GIFCMWXHYSCSGG-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715466 1370694741 /nfs/dbraw/zinc/69/47/41/1370694741.db2.gz KBGZMUVRLZZXMH-QGZVFWFLSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115729346 1370710786 /nfs/dbraw/zinc/71/07/86/1370710786.db2.gz BNCLBWFBGXIVES-SFHVURJKSA-N 2 0 343.515 3.080 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001115729632 1370710798 /nfs/dbraw/zinc/71/07/98/1370710798.db2.gz NHMGHRWEENUTCB-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729839 1370711926 /nfs/dbraw/zinc/71/19/26/1370711926.db2.gz UVOYYKGBORVXHX-SFHVURJKSA-N 2 0 337.552 3.460 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001115729854 1370712241 /nfs/dbraw/zinc/71/22/41/1370712241.db2.gz VKILTLULIVDQAD-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1)[NH+](C)C ZINC001115734598 1370716961 /nfs/dbraw/zinc/71/69/61/1370716961.db2.gz VCWXNXZIIVIXNX-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420546 1370748926 /nfs/dbraw/zinc/74/89/26/1370748926.db2.gz ZMNDRPSQTIXLQB-ROUKRRSUSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205420264 1370749156 /nfs/dbraw/zinc/74/91/56/1370749156.db2.gz MMRZMTABZNMIOR-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464288 1370763297 /nfs/dbraw/zinc/76/32/97/1370763297.db2.gz NANIOQDDZCLGMD-RRFGBZISSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483453 1370769382 /nfs/dbraw/zinc/76/93/82/1370769382.db2.gz DVVASTJOAFRHAF-PHWHVTFISA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205518941 1370778277 /nfs/dbraw/zinc/77/82/77/1370778277.db2.gz PUPDKMHODLNLJL-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205519765 1370779471 /nfs/dbraw/zinc/77/94/71/1370779471.db2.gz GAQOADQDWFLAQS-ARJAWSKDSA-N 2 0 347.547 3.047 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001205558209 1370790842 /nfs/dbraw/zinc/79/08/42/1370790842.db2.gz CUOPWPXOPQCKNP-OAHLLOKOSA-N 2 0 346.903 3.050 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205558002 1370791101 /nfs/dbraw/zinc/79/11/01/1370791101.db2.gz AFEXBFGOUISRFE-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(F)cc2Br)CC1 ZINC001205559825 1370791165 /nfs/dbraw/zinc/79/11/65/1370791165.db2.gz VCQXMFFGBAFTCH-CQSZACIVSA-N 2 0 333.220 3.241 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205570064 1370794674 /nfs/dbraw/zinc/79/46/74/1370794674.db2.gz DUOLSNQSUWPYIZ-AWEZNQCLSA-N 2 0 338.320 3.377 20 0 EGADRP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205570461 1370795443 /nfs/dbraw/zinc/79/54/43/1370795443.db2.gz KGJSEARMXZFIOL-IBGZPJMESA-N 2 0 336.451 3.295 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(OCc3ccccc3)cn2)CC1 ZINC001205591348 1370803089 /nfs/dbraw/zinc/80/30/89/1370803089.db2.gz KWFHOYXYKYOKQW-FQEVSTJZSA-N 2 0 343.446 3.314 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Br ZINC001205617481 1370813429 /nfs/dbraw/zinc/81/34/29/1370813429.db2.gz KFXGDSMMWARILV-OCCSQVGLSA-N 2 0 341.293 3.265 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1OCC1CC1 ZINC001205626945 1370816614 /nfs/dbraw/zinc/81/66/14/1370816614.db2.gz KVQYTPRMCUXZKZ-CRAIPNDOSA-N 2 0 332.488 3.291 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)n21 ZINC001205651613 1370828498 /nfs/dbraw/zinc/82/84/98/1370828498.db2.gz HKUJQCSQNOMOJU-CABCVRRESA-N 2 0 332.517 3.253 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001205664138 1370834776 /nfs/dbraw/zinc/83/47/76/1370834776.db2.gz MHYHNEGNZLPBCI-HXUWFJFHSA-N 2 0 326.440 3.155 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205674088 1370837758 /nfs/dbraw/zinc/83/77/58/1370837758.db2.gz ZAWPGQFUXOSNQI-GOSISDBHSA-N 2 0 334.847 3.276 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001325955857 1388097733 /nfs/dbraw/zinc/09/77/33/1388097733.db2.gz MMLSVGGTAHLGAL-YZGWKJHDSA-N 2 0 343.515 3.012 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCc2ccc(Br)cc2)CCC1(F)F ZINC001205734049 1370854148 /nfs/dbraw/zinc/85/41/48/1370854148.db2.gz BVCBNELGTGLVJQ-ZDUSSCGKSA-N 2 0 347.247 3.298 20 0 EGADRP COc1ccc(-c2ccncc2)cc1CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205796986 1370874801 /nfs/dbraw/zinc/87/48/01/1370874801.db2.gz WTGWLMUXQQVYFU-KRWDZBQOSA-N 2 0 347.409 3.173 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(C)cs2)[C@@H](C)C1 ZINC001116294539 1370880846 /nfs/dbraw/zinc/88/08/46/1370880846.db2.gz KBYIAJJRCFOTLV-DOTOQJQBSA-N 2 0 339.549 3.111 20 0 EGADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCc1ccccc1Br ZINC001205901203 1370905154 /nfs/dbraw/zinc/90/51/54/1370905154.db2.gz BSSPAQMRRNGXAP-UKRRQHHQSA-N 2 0 325.294 3.441 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981778 1370929505 /nfs/dbraw/zinc/92/95/05/1370929505.db2.gz HCHDSAQSYLQJKX-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CCC[C@H]1C[NH3+] ZINC001206011367 1370937643 /nfs/dbraw/zinc/93/76/43/1370937643.db2.gz BXIOYJWQOZTMJI-PXNSSMCTSA-N 2 0 339.483 3.467 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206012037 1370938428 /nfs/dbraw/zinc/93/84/28/1370938428.db2.gz IDOQGGNAIYOTRO-CHWSQXEVSA-N 2 0 346.393 3.401 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206013059 1370938655 /nfs/dbraw/zinc/93/86/55/1370938655.db2.gz PBVCDGSTRNIOFG-ZFWWWQNUSA-N 2 0 338.879 3.324 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)CC1 ZINC001206125468 1370965461 /nfs/dbraw/zinc/96/54/61/1370965461.db2.gz APFJEEAKZCDYTE-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)c1ccc(C[NH2+]CC2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001206146207 1370971647 /nfs/dbraw/zinc/97/16/47/1370971647.db2.gz IUMNJTJVIQTERL-UHFFFAOYSA-N 2 0 345.531 3.090 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001116868310 1370990336 /nfs/dbraw/zinc/99/03/36/1370990336.db2.gz ULYMWGQBUOJVLM-UHFFFAOYSA-N 2 0 341.459 3.169 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](CCc2ccc(Br)cc2)CC1 ZINC001206296180 1371013714 /nfs/dbraw/zinc/01/37/14/1371013714.db2.gz QFAHPBBXJDMRPU-MRXNPFEDSA-N 2 0 325.294 3.443 20 0 EGADRP CC(C)(C)C(=O)Nc1ncccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304873 1371016973 /nfs/dbraw/zinc/01/69/73/1371016973.db2.gz QDZMEJDJJOZJSU-LJQANCHMSA-N 2 0 332.492 3.017 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318318 1371020075 /nfs/dbraw/zinc/02/00/75/1371020075.db2.gz PHGWTTNMNURHSE-KRWDZBQOSA-N 2 0 325.884 3.473 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1OCC1CC1 ZINC001206338314 1371027205 /nfs/dbraw/zinc/02/72/05/1371027205.db2.gz ZDEIBYTWODEZCX-HXUWFJFHSA-N 2 0 332.488 3.435 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542228 1371087875 /nfs/dbraw/zinc/08/78/75/1371087875.db2.gz VSERQEYFCWSUCY-FQEVSTJZSA-N 2 0 332.488 3.247 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC001206653632 1371121703 /nfs/dbraw/zinc/12/17/03/1371121703.db2.gz KIENEUJRKDIZKI-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP [NH3+][C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC001118206188 1371146525 /nfs/dbraw/zinc/14/65/25/1371146525.db2.gz XXTXYPMERHUTPP-LJQANCHMSA-N 2 0 335.536 3.009 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(Cl)cn1 ZINC001206760752 1371155943 /nfs/dbraw/zinc/15/59/43/1371155943.db2.gz LGDSHOFUSDLHFK-UHFFFAOYSA-N 2 0 345.874 3.236 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1OC(F)(F)F ZINC001206769668 1371159707 /nfs/dbraw/zinc/15/97/07/1371159707.db2.gz PECFPVLADIOAPY-YPMHNXCESA-N 2 0 332.366 3.153 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206794410 1371170026 /nfs/dbraw/zinc/17/00/26/1371170026.db2.gz NAJBAGCVDHWOEZ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206885463 1371206789 /nfs/dbraw/zinc/20/67/89/1371206789.db2.gz NTKWKSRJLGFLSR-SFHVURJKSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001206890614 1371209850 /nfs/dbraw/zinc/20/98/50/1371209850.db2.gz ZYYGVKGPSMSKTK-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206949102 1371240928 /nfs/dbraw/zinc/24/09/28/1371240928.db2.gz QIVPDCHWYMZCMJ-KRWDZBQOSA-N 2 0 345.531 3.236 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951451 1371242312 /nfs/dbraw/zinc/24/23/12/1371242312.db2.gz RNHJYEYPYHTJAO-ARJAWSKDSA-N 2 0 335.536 3.047 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001207281585 1371349154 /nfs/dbraw/zinc/34/91/54/1371349154.db2.gz FJGAQSFFTCKSMG-IBGZPJMESA-N 2 0 349.544 3.155 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001207283357 1371349665 /nfs/dbraw/zinc/34/96/65/1371349665.db2.gz XFZVITOPUDMTAI-OAQYLSRUSA-N 2 0 329.532 3.172 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326200499 1388127039 /nfs/dbraw/zinc/12/70/39/1388127039.db2.gz BVPFYFWEDVGTFJ-UHFFFAOYSA-N 2 0 342.462 3.285 20 0 EGADRP CC1(C)C[C@H](C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001207357592 1371372062 /nfs/dbraw/zinc/37/20/62/1371372062.db2.gz ASCPKSFSDQCXHE-AABGKKOBSA-N 2 0 328.500 3.255 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001207396983 1371384354 /nfs/dbraw/zinc/38/43/54/1371384354.db2.gz ZQZWEBJSKGXETM-FQEVSTJZSA-N 3 0 345.531 3.298 20 0 EGADRP Clc1ccc2c(c1)nccc2N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207437993 1371395975 /nfs/dbraw/zinc/39/59/75/1371395975.db2.gz QSVVBYYPIFCUGV-UHFFFAOYSA-N 2 0 344.890 3.010 20 0 EGADRP CCOC(=O)CC[N@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207482411 1371410209 /nfs/dbraw/zinc/41/02/09/1371410209.db2.gz WJOMLSFZHRRTSB-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3conc3Cc3ccccc3)C[C@@H]2C1 ZINC001120072283 1371478503 /nfs/dbraw/zinc/47/85/03/1371478503.db2.gz SOJLICJXMPDEBI-CMKODMSKSA-N 2 0 339.483 3.428 20 0 EGADRP Cc1ccc(-c2cnn(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c2)cc1 ZINC001120255242 1371516122 /nfs/dbraw/zinc/51/61/22/1371516122.db2.gz BVEVVCQPDBYEDW-IRFCIJBXSA-N 2 0 338.499 3.478 20 0 EGADRP C[NH+](C)CCN(CCCc1cccc(C(F)(F)F)c1)CC[NH+](C)C ZINC001207844354 1371517565 /nfs/dbraw/zinc/51/75/65/1371517565.db2.gz MIJKJKKOHGYBQI-UHFFFAOYSA-N 2 0 345.453 3.063 20 0 EGADRP CC(C)N(C)Cc1nnc2n1CCC[N@@H+](C[C@H](C)c1ccccc1)C2 ZINC001207904503 1371533199 /nfs/dbraw/zinc/53/31/99/1371533199.db2.gz GDIWNMQLRHWQRM-KRWDZBQOSA-N 2 0 341.503 3.128 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001207956568 1371550056 /nfs/dbraw/zinc/55/00/56/1371550056.db2.gz ANAZFHGBRXKWHB-CWJKEVGVSA-N 2 0 343.515 3.183 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120391783 1371557805 /nfs/dbraw/zinc/55/78/05/1371557805.db2.gz GYDBSWPVELSTPF-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001120432121 1371574830 /nfs/dbraw/zinc/57/48/30/1371574830.db2.gz YGFVPTYADYCMJD-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CCC(C)C)C1 ZINC001120439847 1371577577 /nfs/dbraw/zinc/57/75/77/1371577577.db2.gz JFOIDYMXWWPQBK-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048694 1371580518 /nfs/dbraw/zinc/58/05/18/1371580518.db2.gz JVYXEBVHLKKRLC-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001208073227 1371588072 /nfs/dbraw/zinc/58/80/72/1371588072.db2.gz FQVTYJYMKMUXHK-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP c1cnn(CCC[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001208086419 1371592419 /nfs/dbraw/zinc/59/24/19/1371592419.db2.gz MHOUKJSTTRPQBY-SFTDATJTSA-N 2 0 338.499 3.117 20 0 EGADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109027 1371596430 /nfs/dbraw/zinc/59/64/30/1371596430.db2.gz JUUVIIUHTCXTIG-HXUWFJFHSA-N 3 0 329.532 3.172 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129366 1371604027 /nfs/dbraw/zinc/60/40/27/1371604027.db2.gz UJKIQYHGKKVEOS-YHTLKTDXSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)CC1(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC001208188145 1371627963 /nfs/dbraw/zinc/62/79/63/1371627963.db2.gz UHSNWQBTCUTSTI-NHCUHLMSSA-N 2 0 341.543 3.315 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208330688 1371720406 /nfs/dbraw/zinc/72/04/06/1371720406.db2.gz COEXHLHNEXKTIX-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460214 1371775594 /nfs/dbraw/zinc/77/55/94/1371775594.db2.gz QFLUYBWYKQMBRR-IRXDYDNUSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575659 1371824790 /nfs/dbraw/zinc/82/47/90/1371824790.db2.gz SFHKQOPVSXZVLH-QRQLOZEOSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC001208591633 1371830848 /nfs/dbraw/zinc/83/08/48/1371830848.db2.gz MNNWJKHMNUZNOQ-HKBOAZHASA-N 2 0 327.516 3.067 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001208598739 1371835235 /nfs/dbraw/zinc/83/52/35/1371835235.db2.gz WZGKPGVKOCQJDK-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001208606739 1371838743 /nfs/dbraw/zinc/83/87/43/1371838743.db2.gz GUCUPSPOOJEXNO-JBACZVJFSA-N 2 0 328.500 3.367 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637158 1371847940 /nfs/dbraw/zinc/84/79/40/1371847940.db2.gz IFCMVKSMDLOUEF-ZWHYWQQASA-N 2 0 337.552 3.147 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208641925 1371849075 /nfs/dbraw/zinc/84/90/75/1371849075.db2.gz PNTQGMYXJPQGDF-FHWLQOOXSA-N 2 0 336.520 3.401 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208717686 1371872703 /nfs/dbraw/zinc/87/27/03/1371872703.db2.gz MMTYUAKOYWMURZ-LJQANCHMSA-N 2 0 345.531 3.175 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@H]([NH2+]Cc3ccsc3)C2)CCCC1 ZINC001208769529 1371890593 /nfs/dbraw/zinc/89/05/93/1371890593.db2.gz KXMNSYNRXRBGIX-KRWDZBQOSA-N 2 0 349.544 3.093 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CCCC1 ZINC001208771347 1371891253 /nfs/dbraw/zinc/89/12/53/1371891253.db2.gz ZLKCLBCKZVGASV-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](CC2(c3ccccc3)CCCC2)CC1 ZINC001208778888 1371893392 /nfs/dbraw/zinc/89/33/92/1371893392.db2.gz ZSGAIDTYMCTGBQ-UHFFFAOYSA-N 2 0 329.532 3.068 20 0 EGADRP CC(C)Oc1ncccc1CC[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001208799626 1371899822 /nfs/dbraw/zinc/89/98/22/1371899822.db2.gz ZUUNUUJUDLCCCA-UHFFFAOYSA-N 2 0 345.531 3.465 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232166 1371902134 /nfs/dbraw/zinc/90/21/34/1371902134.db2.gz AFQXFAPGOQEXKF-GGQJKKPXSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC001121260597 1371912761 /nfs/dbraw/zinc/91/27/61/1371912761.db2.gz GWGSKPYZOHPHKR-MBEFBZSESA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1ccccc1)C2)[NH+](C)C ZINC001121288270 1371922988 /nfs/dbraw/zinc/92/29/88/1371922988.db2.gz BGBBTBHUGNSWMD-RTIMYMIJSA-N 2 0 343.515 3.105 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121325982 1371937381 /nfs/dbraw/zinc/93/73/81/1371937381.db2.gz SAZJADNAIFTYNY-HJWRWDBZSA-N 2 0 335.536 3.090 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208931021 1371950825 /nfs/dbraw/zinc/95/08/25/1371950825.db2.gz GYWZGWJPPDXAPX-ACRUOGEOSA-N 2 0 328.500 3.400 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC4(CCOC4)CC3)C2)cc1 ZINC001208931223 1371951035 /nfs/dbraw/zinc/95/10/35/1371951035.db2.gz IJFMYTMBRZLTCU-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP CC1([NH+]2CCCC2)CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208955858 1371961691 /nfs/dbraw/zinc/96/16/91/1371961691.db2.gz FXMGNFKMZYTFCB-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP CCOC(=O)[C@@]1(C)CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954659 1371962512 /nfs/dbraw/zinc/96/25/12/1371962512.db2.gz WYWWUKBQWNBNOF-CTNGQTDRSA-N 2 0 344.499 3.174 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001121507977 1371994144 /nfs/dbraw/zinc/99/41/44/1371994144.db2.gz CQFSJGXAIFTOSG-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142209 1372012601 /nfs/dbraw/zinc/01/26/01/1372012601.db2.gz IXKWNUAFDZBTGB-RTUSNTFBSA-N 2 0 335.536 3.042 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142882 1372013314 /nfs/dbraw/zinc/01/33/14/1372013314.db2.gz WWXUEVHOABWUJG-FBYXPACISA-N 2 0 349.563 3.432 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]C2CC3(CC(NC(=O)CC[NH+](C)C)C3)C2)C1 ZINC001121696282 1372049607 /nfs/dbraw/zinc/04/96/07/1372049607.db2.gz MWEMSNBDKBNNJU-IPHBXJNRSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CCCC1OCCO1)CC2 ZINC001209301752 1372063858 /nfs/dbraw/zinc/06/38/58/1372063858.db2.gz RMRDLCWDJFNUKO-GOSISDBHSA-N 2 0 348.487 3.109 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761194 1372072730 /nfs/dbraw/zinc/07/27/30/1372072730.db2.gz JKORVTSSBLZHHJ-QAELIBMJSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)C1 ZINC001121773734 1372077142 /nfs/dbraw/zinc/07/71/42/1372077142.db2.gz WSUIUDPSUXQWTE-GUYFDXGHSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1ccccc1)C2)[NH+](C)C ZINC001121797959 1372084266 /nfs/dbraw/zinc/08/42/66/1372084266.db2.gz BGBBTBHUGNSWMD-XAWSSXOWSA-N 2 0 343.515 3.105 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C[C@H]1C[C@@H]1C)CC2 ZINC001209414871 1372100023 /nfs/dbraw/zinc/10/00/23/1372100023.db2.gz MYHOHVPVMNZFDC-NSHGMRRFSA-N 2 0 343.515 3.041 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001209565670 1372138092 /nfs/dbraw/zinc/13/80/92/1372138092.db2.gz HIUYZRKIBKJJAK-IEBWSBKVSA-N 2 0 339.568 3.371 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC001121975942 1372141356 /nfs/dbraw/zinc/14/13/56/1372141356.db2.gz XGXSOXNQXOPPHV-IKGGRYGDSA-N 2 0 349.544 3.155 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001121995301 1372148590 /nfs/dbraw/zinc/14/85/90/1372148590.db2.gz RGDUMKMJYKXZSA-UHFFFAOYSA-N 2 0 347.547 3.090 20 0 EGADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC001121997818 1372149112 /nfs/dbraw/zinc/14/91/12/1372149112.db2.gz ZLNMTRDIQPQKFH-WMLDXEAASA-N 2 0 349.544 3.246 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1)[NH+](CC)CC ZINC001209613585 1372150650 /nfs/dbraw/zinc/15/06/50/1372150650.db2.gz JRHUWIKLRSPTIY-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122057158 1372164571 /nfs/dbraw/zinc/16/45/71/1372164571.db2.gz WGZYTHHASOSOKU-ZCBKYUGRSA-N 2 0 347.547 3.092 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122057157 1372164719 /nfs/dbraw/zinc/16/47/19/1372164719.db2.gz WGZYTHHASOSOKU-XKZCYDSASA-N 2 0 347.547 3.092 20 0 EGADRP Nc1ccncc1C[N@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001209730246 1372178713 /nfs/dbraw/zinc/17/87/13/1372178713.db2.gz IIENIVQTDJQMHS-ZJOUEHCJSA-N 2 0 335.451 3.191 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC001122237191 1372208735 /nfs/dbraw/zinc/20/87/35/1372208735.db2.gz AVCDCQJKFPCKFK-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122248482 1372211730 /nfs/dbraw/zinc/21/17/30/1372211730.db2.gz ITDLUBUXPKPEHI-SGPNKGFISA-N 2 0 349.563 3.170 20 0 EGADRP [NH3+]CCN1CC[NH+](Cc2ccccc2-c2ccc(Cl)cc2)CC1 ZINC001210029202 1372259195 /nfs/dbraw/zinc/25/91/95/1372259195.db2.gz SCXGYVPGPXUTJX-UHFFFAOYSA-N 2 0 329.875 3.083 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210179536 1372289466 /nfs/dbraw/zinc/28/94/66/1372289466.db2.gz PIQGSBJEOXJRHP-GUDVDZBRSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190602 1372291219 /nfs/dbraw/zinc/29/12/19/1372291219.db2.gz WSXAOMJUYQIXSB-PSUNPMBVSA-N 2 0 337.552 3.290 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CC[NH2+]C[C@H]3c3ccccc3)C2)cc1 ZINC001210196973 1372292534 /nfs/dbraw/zinc/29/25/34/1372292534.db2.gz TULHRMYLZREUNM-UNMCSNQZSA-N 2 0 335.495 3.155 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001187921470 1388190445 /nfs/dbraw/zinc/19/04/45/1388190445.db2.gz JDTCYPVYZCJQEF-HXUWFJFHSA-N 2 0 347.547 3.334 20 0 EGADRP c1cc(Cc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)ccn1 ZINC001210266661 1372310314 /nfs/dbraw/zinc/31/03/14/1372310314.db2.gz PFXIFEYJERFUBX-UHFFFAOYSA-N 2 0 345.450 3.221 20 0 EGADRP c1ccc(Oc2cccnc2)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210266314 1372310345 /nfs/dbraw/zinc/31/03/45/1372310345.db2.gz JDNBKVISNPSUNJ-UHFFFAOYSA-N 2 0 347.422 3.422 20 0 EGADRP Cc1cccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1Br ZINC001210269356 1372310987 /nfs/dbraw/zinc/31/09/87/1372310987.db2.gz SLMPVHONYRDWLE-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP Cc1c(C)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C)c(C)c1N ZINC001210271529 1372312227 /nfs/dbraw/zinc/31/22/27/1372312227.db2.gz RZNWUXVFWKTBJR-UHFFFAOYSA-N 2 0 325.460 3.051 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210412644 1372345854 /nfs/dbraw/zinc/34/58/54/1372345854.db2.gz WOVMGDDXVLFNQV-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428942 1372351360 /nfs/dbraw/zinc/35/13/60/1372351360.db2.gz WYEVXPWKIMZLNQ-ROUKRRSUSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](CC)c2ccccc2)C[C@H]1C ZINC001210497176 1372366443 /nfs/dbraw/zinc/36/64/43/1372366443.db2.gz AUZRVGHFWCMXMP-MISYRCLQSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210595233 1372387032 /nfs/dbraw/zinc/38/70/32/1372387032.db2.gz QVNICVTYMQQKBB-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210691428 1372408850 /nfs/dbraw/zinc/40/88/50/1372408850.db2.gz YUBCGOIPXBBSDM-LXXRFIIISA-N 2 0 344.503 3.088 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001210750660 1372419186 /nfs/dbraw/zinc/41/91/86/1372419186.db2.gz HAXALQONBWGFOC-ACBHZAAOSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)CC(C[NH2+][C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001211126112 1372487859 /nfs/dbraw/zinc/48/78/59/1372487859.db2.gz NBAGIWOBNWDSJM-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC(C[NH2+][C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001211126113 1372488032 /nfs/dbraw/zinc/48/80/32/1372488032.db2.gz NBAGIWOBNWDSJM-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374585 1372543064 /nfs/dbraw/zinc/54/30/64/1372543064.db2.gz JORVPMWBPVQGPR-QSMUSEHHSA-N 2 0 349.563 3.290 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376110 1372543778 /nfs/dbraw/zinc/54/37/78/1372543778.db2.gz GXYWJHIBHBQFCC-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001326520240 1388227313 /nfs/dbraw/zinc/22/73/13/1388227313.db2.gz ZDKHOTQQOSBXPL-QGZVFWFLSA-N 2 0 348.560 3.263 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001127065894 1373079290 /nfs/dbraw/zinc/07/92/90/1373079290.db2.gz GUULPZYZWTYCIY-PXNSSMCTSA-N 2 0 345.531 3.450 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214853352 1373130362 /nfs/dbraw/zinc/13/03/62/1373130362.db2.gz YWBURTSSLKNQQU-CEXWTWQISA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214853354 1373130523 /nfs/dbraw/zinc/13/05/23/1373130523.db2.gz YWBURTSSLKNQQU-GUDVDZBRSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856028 1373130945 /nfs/dbraw/zinc/13/09/45/1373130945.db2.gz VEZYIIDKJXZNNP-YSNLUETFSA-N 2 0 335.536 3.042 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234249 1373189768 /nfs/dbraw/zinc/18/97/68/1373189768.db2.gz MFWFKIDTIUIUFP-YZBXUTEPSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001188139320 1388248160 /nfs/dbraw/zinc/24/81/60/1388248160.db2.gz LMBCQWBDBZTBRN-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001216225551 1373284832 /nfs/dbraw/zinc/28/48/32/1373284832.db2.gz GQBXPLBHQHRBBM-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(Nc3cc[nH+]c(NC)c3)cc2)CC1 ZINC001216334364 1373300707 /nfs/dbraw/zinc/30/07/07/1373300707.db2.gz BQDKRUOGNLMMQB-UHFFFAOYSA-N 2 0 325.460 3.004 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216335170 1373301660 /nfs/dbraw/zinc/30/16/60/1373301660.db2.gz DUQPEMIBGRISIX-QFUCXCTJSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001216490921 1373311624 /nfs/dbraw/zinc/31/16/24/1373311624.db2.gz WCUKXGADPMJYKK-JTDSTZFVSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001216506144 1373312364 /nfs/dbraw/zinc/31/23/64/1373312364.db2.gz CJCRHVXWPPVPLP-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001129423876 1373382410 /nfs/dbraw/zinc/38/24/10/1373382410.db2.gz XXXRYQBRBOGTAR-QUCCMNQESA-N 2 0 343.515 3.033 20 0 EGADRP O=C(NCC[NH2+]CCCC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429736 1373383041 /nfs/dbraw/zinc/38/30/41/1373383041.db2.gz KOVBRUDTFTUKIF-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205439 1388264012 /nfs/dbraw/zinc/26/40/12/1388264012.db2.gz LXOORDNYIDBJAX-CSSZIBPHSA-N 2 0 347.547 3.138 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@](C)(CO[C@H]2CCCC[NH2+]C2)O1 ZINC001217773184 1373499742 /nfs/dbraw/zinc/49/97/42/1373499742.db2.gz NNIFOYHNWLUICZ-PZJWPPBQSA-N 2 0 346.515 3.215 20 0 EGADRP c1ccc(C[N@@H+]2CCCO[C@@H](COCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217888463 1373509655 /nfs/dbraw/zinc/50/96/55/1373509655.db2.gz TUKFNLKEKNESJK-OAQYLSRUSA-N 2 0 346.515 3.074 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CCC[NH2+]C[C@H]4F)cc32)CC1 ZINC001217947683 1373516283 /nfs/dbraw/zinc/51/62/83/1373516283.db2.gz JIGHXVYUJZJRPU-QUCCMNQESA-N 2 0 345.462 3.446 20 0 EGADRP CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@H]3C[NH2+]C[C@@H]3F)c2C1 ZINC001218019217 1373538906 /nfs/dbraw/zinc/53/89/06/1373538906.db2.gz GSVJFIYGOLLZGA-QRFRQXIXSA-N 2 0 334.479 3.355 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)ccc2c[nH+]cn21 ZINC001130656500 1373576129 /nfs/dbraw/zinc/57/61/29/1373576129.db2.gz SHLDONPKHHTDIO-UHFFFAOYSA-N 2 0 342.487 3.179 20 0 EGADRP CC[C@]1(c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)c2)CCCC[N@H+](C)C1 ZINC001218331020 1373598302 /nfs/dbraw/zinc/59/83/02/1373598302.db2.gz PIQXGRBFPITBFM-DVWBAYGPSA-N 2 0 328.500 3.437 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)c1ccn2c[nH+]cc2c1 ZINC001130874553 1373600628 /nfs/dbraw/zinc/60/06/28/1373600628.db2.gz DAEBPDGCDOEDAB-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@H]45)cc32)CC1 ZINC001218459528 1373617927 /nfs/dbraw/zinc/61/79/27/1373617927.db2.gz GLSLZDQVWCFACD-MFMILTCTSA-N 2 0 339.483 3.354 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccc(C2(C(F)(F)F)CC2)cc1 ZINC001218816502 1373657240 /nfs/dbraw/zinc/65/72/40/1373657240.db2.gz KTQAHRASTVEPLZ-ZDUSSCGKSA-N 2 0 343.393 3.065 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1)Cc1ccccc1 ZINC001218896899 1373665270 /nfs/dbraw/zinc/66/52/70/1373665270.db2.gz BWGRVJKXGPBCJL-UHFFFAOYSA-N 2 0 339.483 3.384 20 0 EGADRP O=C(NCC[NH2+]Cc1ccc(C2CCC2)cc1)c1ccc2c[nH+]cn2c1 ZINC001131372309 1373685731 /nfs/dbraw/zinc/68/57/31/1373685731.db2.gz AUHHYQXZIPSAQX-UHFFFAOYSA-N 2 0 348.450 3.121 20 0 EGADRP N[C@H](C[NH3+])c1ccc(C(=O)Nc2cccc3c(Cl)ccnc23)cc1 ZINC001219117219 1373688497 /nfs/dbraw/zinc/68/84/97/1373688497.db2.gz ZIGKAASOVDSKJX-OAHLLOKOSA-N 2 0 340.814 3.099 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)Cc2ccccc2-c2ccccc2C[NH3+])cc1 ZINC001219345558 1373702710 /nfs/dbraw/zinc/70/27/10/1373702710.db2.gz UAJOPKQTPAKJSF-UHFFFAOYSA-N 2 0 345.446 3.452 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccccc1-c1ccc(Cl)cn1 ZINC001219400302 1373706809 /nfs/dbraw/zinc/70/68/09/1373706809.db2.gz KAYZADQWYMPDPF-KRWDZBQOSA-N 2 0 346.862 3.058 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1F ZINC001219689267 1373726530 /nfs/dbraw/zinc/72/65/30/1373726530.db2.gz LIVTWIMIZYCJQJ-DOMZBBRYSA-N 2 0 343.874 3.152 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)NC[C@@]1(F)CCC[NH2+]C1)c1ccccc1 ZINC001219768168 1373731973 /nfs/dbraw/zinc/73/19/73/1373731973.db2.gz KPORCCDDLMPVPJ-AZUAARDMSA-N 2 0 349.494 3.058 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001219954554 1373741136 /nfs/dbraw/zinc/74/11/36/1373741136.db2.gz LKIANZUFQWCQPH-QUCCMNQESA-N 2 0 343.515 3.156 20 0 EGADRP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401114 1373838412 /nfs/dbraw/zinc/83/84/12/1373838412.db2.gz QSWDZZQDTKPFLO-SFHVURJKSA-N 2 0 340.552 3.310 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001188346175 1388294245 /nfs/dbraw/zinc/29/42/45/1388294245.db2.gz CNHQYVGEORZWAE-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[N@@H+]1CCC[C@@H](OC[C@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152633 1375096020 /nfs/dbraw/zinc/09/60/20/1375096020.db2.gz XMLWLQFEGFUIRH-CTNGQTDRSA-N 2 0 346.515 3.167 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CC1CC1 ZINC001132142145 1375168916 /nfs/dbraw/zinc/16/89/16/1375168916.db2.gz YAKGQLNNURHLGC-WBVHZDCISA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132152859 1375172847 /nfs/dbraw/zinc/17/28/47/1375172847.db2.gz JRHHQNFQISSIDI-PKOBYXMFSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCCC(C)(C)C ZINC001132269281 1375257340 /nfs/dbraw/zinc/25/73/40/1375257340.db2.gz IFFREDJZGLAXEK-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001132310265 1375289230 /nfs/dbraw/zinc/28/92/30/1375289230.db2.gz JYRQRKPEKPFVCD-IEBWSBKVSA-N 2 0 345.531 3.134 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311478 1375290063 /nfs/dbraw/zinc/29/00/63/1375290063.db2.gz URFDLTMGOHZICM-WMZOPIPTSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132376129 1375338870 /nfs/dbraw/zinc/33/88/70/1375338870.db2.gz JRRKHKIQOFJNHL-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132381005 1375340820 /nfs/dbraw/zinc/34/08/20/1375340820.db2.gz SXRYSSDXAPQYPV-ZYHOBAKYSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001226890423 1375353239 /nfs/dbraw/zinc/35/32/39/1375353239.db2.gz NHXIEKXSJUCRPR-XUVXKRRUSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132434512 1375377988 /nfs/dbraw/zinc/37/79/88/1375377988.db2.gz XYKVODRVQXKWOQ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434009 1375378807 /nfs/dbraw/zinc/37/88/07/1375378807.db2.gz SOPAIXWDUPMWAD-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CCCCC1 ZINC001132433815 1375378910 /nfs/dbraw/zinc/37/89/10/1375378910.db2.gz QMOJCKLYLBXSJM-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)C)C1 ZINC001132436532 1375380974 /nfs/dbraw/zinc/38/09/74/1375380974.db2.gz LWORHLYFTQZAFM-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001227218516 1375408288 /nfs/dbraw/zinc/40/82/88/1375408288.db2.gz WWIWHDPHJOBTFW-QZTJIDSGSA-N 2 0 335.536 3.066 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132522465 1375439237 /nfs/dbraw/zinc/43/92/37/1375439237.db2.gz PEDIZGSCRNGPBQ-YLJYHZDGSA-N 2 0 345.531 3.058 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132526223 1375442630 /nfs/dbraw/zinc/44/26/30/1375442630.db2.gz ZJENHCRLSIHKCB-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132549312 1375455528 /nfs/dbraw/zinc/45/55/28/1375455528.db2.gz QFLFCNUBMXOBSH-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)C1CCCCC1 ZINC001227734992 1375468082 /nfs/dbraw/zinc/46/80/82/1375468082.db2.gz WTKHQLCEYGCVSZ-QZTJIDSGSA-N 2 0 341.515 3.018 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227750754 1375470980 /nfs/dbraw/zinc/47/09/80/1375470980.db2.gz PNBOOPCTYHOQKA-QZTJIDSGSA-N 2 0 337.552 3.458 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227876772 1375486116 /nfs/dbraw/zinc/48/61/16/1375486116.db2.gz KOHSTBFLDTVNOO-SFFCAUCYSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001228355785 1375556179 /nfs/dbraw/zinc/55/61/79/1375556179.db2.gz UXVHVNFMNQOZID-GUDVDZBRSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790658 1375565703 /nfs/dbraw/zinc/56/57/03/1375565703.db2.gz IZXIRTSCXWIGMJ-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559346 1375597783 /nfs/dbraw/zinc/59/77/83/1375597783.db2.gz PIKGLRMUANTUEZ-QHSFFJGXSA-N 2 0 337.552 3.480 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)CC(C)(C)C ZINC001228623540 1375620899 /nfs/dbraw/zinc/62/08/99/1375620899.db2.gz CXBHNYWUVZMQRD-RTBURBONSA-N 2 0 345.531 3.182 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001228646375 1375625978 /nfs/dbraw/zinc/62/59/78/1375625978.db2.gz DXXXJXALIYDRCA-YHBJTQMJSA-N 2 0 343.515 3.057 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC001228661902 1375632425 /nfs/dbraw/zinc/63/24/25/1375632425.db2.gz ZTTJYLLEZVGLDT-AQNXPRMDSA-N 2 0 345.531 3.161 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133012305 1375710971 /nfs/dbraw/zinc/71/09/71/1375710971.db2.gz QSUNDNARQPXDMS-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)[NH+]1CCCCCC1 ZINC001228932790 1375720133 /nfs/dbraw/zinc/72/01/33/1375720133.db2.gz WKEVAMMKKZGNDB-MAEFMKOSSA-N 2 0 341.927 3.020 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001133052021 1375743108 /nfs/dbraw/zinc/74/31/08/1375743108.db2.gz YPZOVYBZWSGNLX-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001327145288 1388402896 /nfs/dbraw/zinc/40/28/96/1388402896.db2.gz DPQVPONXCIUWOP-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H](c1cccc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c1)[NH+](C)C ZINC001229625862 1375869060 /nfs/dbraw/zinc/86/90/60/1375869060.db2.gz INWCKLSSRIAGSJ-VQIMIIECSA-N 2 0 332.488 3.331 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655934 1375872549 /nfs/dbraw/zinc/87/25/49/1375872549.db2.gz WBPYYNUJBUEFMR-YXBWYFRISA-N 2 0 337.552 3.290 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133262002 1375877325 /nfs/dbraw/zinc/87/73/25/1375877325.db2.gz FIBGKJNGGJCKOU-MOPGFXCFSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001229852453 1375903785 /nfs/dbraw/zinc/90/37/85/1375903785.db2.gz JCKRJFOVRNWCIR-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001229984833 1375924893 /nfs/dbraw/zinc/92/48/93/1375924893.db2.gz BVPAQXDFJQWLDL-LJQANCHMSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133338341 1375930725 /nfs/dbraw/zinc/93/07/25/1375930725.db2.gz UIPJEPZFLPCHJJ-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284796 1375983807 /nfs/dbraw/zinc/98/38/07/1375983807.db2.gz VIAQZJULHGXUOH-RCCFBDPRSA-N 2 0 325.541 3.026 20 0 EGADRP CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCCC[NH+](C)C ZINC001133410551 1375994104 /nfs/dbraw/zinc/99/41/04/1375994104.db2.gz MUOWTKHRPHGSJZ-UHFFFAOYSA-N 2 0 339.911 3.010 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CC[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC001133410685 1375994183 /nfs/dbraw/zinc/99/41/83/1375994183.db2.gz VHXWGCNZRGXUAJ-UHFFFAOYSA-N 2 0 339.911 3.008 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](CCCCCF)CC2)c1 ZINC001230349000 1376005926 /nfs/dbraw/zinc/00/59/26/1376005926.db2.gz BHIFIFNYARCHGJ-UHFFFAOYSA-N 2 0 349.494 3.082 20 0 EGADRP CCC(CC)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378599 1376010704 /nfs/dbraw/zinc/01/07/04/1376010704.db2.gz QORLRHACASANMU-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001230592006 1376089916 /nfs/dbraw/zinc/08/99/16/1376089916.db2.gz PGXZHLWZPMFUKX-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598110 1376092737 /nfs/dbraw/zinc/09/27/37/1376092737.db2.gz FOXMCYWFDQZVIA-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001230598523 1376094759 /nfs/dbraw/zinc/09/47/59/1376094759.db2.gz REGDKJGPYJWLED-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230617859 1376104287 /nfs/dbraw/zinc/10/42/87/1376104287.db2.gz GZSFYOOSTUSLDG-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001230622798 1376104996 /nfs/dbraw/zinc/10/49/96/1376104996.db2.gz QWHLYBSVEJYSLI-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cn1 ZINC001231536530 1376258664 /nfs/dbraw/zinc/25/86/64/1376258664.db2.gz TUOXCMPMCRJIFN-UHFFFAOYSA-N 2 0 331.504 3.423 20 0 EGADRP CC[N@H+](CCn1ccnc1)Cc1c[nH]c2cc(Br)ncc12 ZINC001232863111 1376525622 /nfs/dbraw/zinc/52/56/22/1376525622.db2.gz NXEQHKAQRHYSOX-UHFFFAOYSA-N 2 0 348.248 3.044 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134521175 1376575706 /nfs/dbraw/zinc/57/57/06/1376575706.db2.gz XICKCAPDPRIYJK-KGLIPLIRSA-N 2 0 325.522 3.096 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584721 1376608650 /nfs/dbraw/zinc/60/86/50/1376608650.db2.gz WKQMMMAZUGRPIT-IAGOWNOFSA-N 2 0 345.531 3.106 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584237 1376608660 /nfs/dbraw/zinc/60/86/60/1376608660.db2.gz SDZCFAAPQDBVHD-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730335 1376682922 /nfs/dbraw/zinc/68/29/22/1376682922.db2.gz VIGXAEBBLNSDRI-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)c1 ZINC001134772881 1376712135 /nfs/dbraw/zinc/71/21/35/1376712135.db2.gz IQOVUIXVFPKCCH-DLBZAZTESA-N 2 0 347.547 3.352 20 0 EGADRP Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCCC2)ccc2c[nH+]cn21 ZINC001134809765 1376737362 /nfs/dbraw/zinc/73/73/62/1376737362.db2.gz RZTPFKAXXLMRNZ-LSDHHAIUSA-N 2 0 342.487 3.319 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1)[NH2+]CCCC1CCC1 ZINC001134891015 1376770510 /nfs/dbraw/zinc/77/05/10/1376770510.db2.gz BKXXOWQZIQDVPT-CVEARBPZSA-N 2 0 342.487 3.401 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)ccc2[nH]1 ZINC001235041008 1376838157 /nfs/dbraw/zinc/83/81/57/1376838157.db2.gz WCQSNVRKHMEURY-FQEVSTJZSA-N 2 0 341.455 3.063 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CCCC[C@@]34CC[NH2+]C4)C2)cc1 ZINC001235120403 1376851414 /nfs/dbraw/zinc/85/14/14/1376851414.db2.gz AQVLJENAOBOOPA-RTWAWAEBSA-N 2 0 327.516 3.117 20 0 EGADRP Fc1cccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OCc1ccccc1 ZINC001235189873 1376856419 /nfs/dbraw/zinc/85/64/19/1376856419.db2.gz GFNMDQWJNYKZOI-MJGOQNOKSA-N 2 0 340.442 3.446 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339256 1376868152 /nfs/dbraw/zinc/86/81/52/1376868152.db2.gz XSTSNTBDHNOVGR-OALUTQOASA-N 2 0 337.552 3.362 20 0 EGADRP CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235429636 1376870124 /nfs/dbraw/zinc/87/01/24/1376870124.db2.gz BTXDMNQISKJROW-UHFFFAOYSA-N 2 0 338.451 3.245 20 0 EGADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001235430438 1376871656 /nfs/dbraw/zinc/87/16/56/1376871656.db2.gz SYVXDTPKHYCBIK-CABCVRRESA-N 2 0 336.863 3.280 20 0 EGADRP COc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431109 1376872397 /nfs/dbraw/zinc/87/23/97/1376872397.db2.gz UQILFCRQBGJZDJ-HZPDHXFCSA-N 2 0 327.472 3.388 20 0 EGADRP Fc1cccc(CN2CC[C@@]23CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C3)c1 ZINC001235629175 1376879768 /nfs/dbraw/zinc/87/97/68/1376879768.db2.gz PASAJMNHRJVHFD-WIYYLYMNSA-N 2 0 345.506 3.256 20 0 EGADRP Cc1cc(OC(C)C)ncc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703061 1376884244 /nfs/dbraw/zinc/88/42/44/1376884244.db2.gz QBBKXYWBOBMFKV-UHFFFAOYSA-N 2 0 331.504 3.389 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081715 1376885523 /nfs/dbraw/zinc/88/55/23/1376885523.db2.gz QWVIRHBPEIQFFW-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP CC1(N2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)CC[NH2+]CC1 ZINC001235816772 1376899783 /nfs/dbraw/zinc/89/97/83/1376899783.db2.gz ZIHRXQPTGVGFFT-UHFFFAOYSA-N 2 0 341.474 3.239 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101917 1376900152 /nfs/dbraw/zinc/90/01/52/1376900152.db2.gz TYWYOHVIHWNMAI-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP Clc1ccc([C@H]2CC[N@H+](CC[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC001235882995 1376909674 /nfs/dbraw/zinc/90/96/74/1376909674.db2.gz WEQIYIICHLROBI-KBPBESRZSA-N 2 0 329.271 3.161 20 0 EGADRP FC1(C[N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC001235883184 1376910127 /nfs/dbraw/zinc/91/01/27/1376910127.db2.gz ZHJOOSBCMVRPIN-CQSZACIVSA-N 2 0 341.268 3.330 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc5c(c4)C[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001236182933 1376939794 /nfs/dbraw/zinc/93/97/94/1376939794.db2.gz AVPXNEDUJCICCL-FYYLOGMGSA-N 2 0 347.506 3.244 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001135298170 1377026300 /nfs/dbraw/zinc/02/63/00/1377026300.db2.gz LFVDESIKVHYJBM-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP CCc1ccccc1CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314563 1377033151 /nfs/dbraw/zinc/03/31/51/1377033151.db2.gz CTGWXFUVGJYDPD-MSOLQXFVSA-N 2 0 347.547 3.006 20 0 EGADRP Cc1cccc(CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135314737 1377033889 /nfs/dbraw/zinc/03/38/89/1377033889.db2.gz GGWAIRGIOBHKJK-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CSC2(C[NH2+]C2)C1)c1ccc(Br)cc1F ZINC001246293073 1377051000 /nfs/dbraw/zinc/05/10/00/1377051000.db2.gz NZVYDLUWDJTVJG-KOLCDFICSA-N 2 0 345.281 3.086 20 0 EGADRP CCCC[C@@H]1C[C@H](NC2(c3ccc(OC)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380750 1377051464 /nfs/dbraw/zinc/05/14/64/1377051464.db2.gz MVRVLBAAJCSPLV-RTBURBONSA-N 2 0 345.531 3.174 20 0 EGADRP CC[NH+](CC)CC[C@H](C)NC1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001246381949 1377051616 /nfs/dbraw/zinc/05/16/16/1377051616.db2.gz VGQWYIDUJSDHPF-KRWDZBQOSA-N 2 0 335.511 3.200 20 0 EGADRP CC[C@@H]1C[C@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246380960 1377051656 /nfs/dbraw/zinc/05/16/56/1377051656.db2.gz LJQNZPRBXUHCTD-BWTSREIZSA-N 2 0 347.522 3.389 20 0 EGADRP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246546430 1377051940 /nfs/dbraw/zinc/05/19/40/1377051940.db2.gz KCVLOMRVWBLLJB-OALUTQOASA-N 2 0 338.451 3.383 20 0 EGADRP Cc1ccccc1N1CC[NH+](C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246542036 1377052182 /nfs/dbraw/zinc/05/21/82/1377052182.db2.gz UZWWIPRAUBURPX-UHFFFAOYSA-N 2 0 327.516 3.429 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@](F)(C[NH3+])CC3)CCO2)cc1 ZINC001246546387 1377052393 /nfs/dbraw/zinc/05/23/93/1377052393.db2.gz GHMWBKOLBCGKOK-WDSOQIARSA-N 2 0 336.451 3.068 20 0 EGADRP c1ccc(C[C@H]2C[NH2+]CCN2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001246821846 1377055308 /nfs/dbraw/zinc/05/53/08/1377055308.db2.gz ZVCADVJYEDKJPO-QHCPKHFHSA-N 2 0 349.522 3.168 20 0 EGADRP Fc1ccccc1CN([C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246938532 1377056050 /nfs/dbraw/zinc/05/60/50/1377056050.db2.gz OVQAVRKNDXIKDV-RDGPPVDQSA-N 2 0 331.479 3.053 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135377711 1377063245 /nfs/dbraw/zinc/06/32/45/1377063245.db2.gz CYLZCRDLNDJQHL-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526679 1377106376 /nfs/dbraw/zinc/10/63/76/1377106376.db2.gz STROCVWABRHPKW-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468441 1377107666 /nfs/dbraw/zinc/10/76/66/1377107666.db2.gz PLIAQQOIVHLSMU-ZWKOTPCHSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614181 1377162289 /nfs/dbraw/zinc/16/22/89/1377162289.db2.gz NOHVVAKWOPRCQZ-DLBZAZTESA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614572 1377163040 /nfs/dbraw/zinc/16/30/40/1377163040.db2.gz WIMRDVRKLUSUCZ-YQJUVHNHSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614717 1377163067 /nfs/dbraw/zinc/16/30/67/1377163067.db2.gz YTVWDIAVBUUSMX-DLBZAZTESA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135743170 1377199142 /nfs/dbraw/zinc/19/91/42/1377199142.db2.gz GFICFYLOGSRMHN-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135769004 1377206870 /nfs/dbraw/zinc/20/68/70/1377206870.db2.gz VPFHOQYWICGBKH-ZSQQTYLHSA-N 2 0 337.552 3.338 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823678 1377222333 /nfs/dbraw/zinc/22/23/33/1377222333.db2.gz FSIVGSZTSZXPFO-YQJUVHNHSA-N 2 0 337.552 3.336 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135861144 1377238203 /nfs/dbraw/zinc/23/82/03/1377238203.db2.gz MTVAMDBZEYPEFT-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC1 ZINC001135906511 1377258355 /nfs/dbraw/zinc/25/83/55/1377258355.db2.gz CYAFTTXSGBMAAT-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CCCCCC1 ZINC001135939170 1377270288 /nfs/dbraw/zinc/27/02/88/1377270288.db2.gz VOTYWTVOFKZIGL-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135977777 1377285136 /nfs/dbraw/zinc/28/51/36/1377285136.db2.gz YWCJBNISROXVFH-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135980298 1377286540 /nfs/dbraw/zinc/28/65/40/1377286540.db2.gz NGRMFVFWABEAHK-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135992875 1377291294 /nfs/dbraw/zinc/29/12/94/1377291294.db2.gz WBHJQGGPPPCXMZ-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001135995625 1377292201 /nfs/dbraw/zinc/29/22/01/1377292201.db2.gz IRSZKGKHTRKKOG-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001266819649 1377385904 /nfs/dbraw/zinc/38/59/04/1377385904.db2.gz COCUGHBLYUWHNJ-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C2CC2)cc1 ZINC001136541558 1377403531 /nfs/dbraw/zinc/40/35/31/1377403531.db2.gz FWXYRSKCXDMISI-HXUWFJFHSA-N 2 0 343.515 3.052 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001266987433 1377408090 /nfs/dbraw/zinc/40/80/90/1377408090.db2.gz PTEBCHDZADREKL-CQSZACIVSA-N 2 0 347.547 3.165 20 0 EGADRP Cc1ccc(C[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)c(C)c1 ZINC001268212295 1377495797 /nfs/dbraw/zinc/49/57/97/1377495797.db2.gz KNSBMNLDORAKGO-LJQANCHMSA-N 2 0 345.531 3.018 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1n[nH]c2ccccc21 ZINC001137350756 1377529207 /nfs/dbraw/zinc/52/92/07/1377529207.db2.gz GAQBLPZUQLRKJV-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cccc1C)C2 ZINC001137849018 1377630433 /nfs/dbraw/zinc/63/04/33/1377630433.db2.gz APDXIGBSZKALLO-IRLDBZIGSA-N 2 0 342.527 3.484 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C)cc2)C1 ZINC001272093374 1377656739 /nfs/dbraw/zinc/65/67/39/1377656739.db2.gz PJZUOANCCIQYQL-HXUWFJFHSA-N 2 0 345.531 3.007 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2c1C[NH+](C1CC1)C2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001137992906 1377660006 /nfs/dbraw/zinc/66/00/06/1377660006.db2.gz TVZPCNPYGJOUEU-ZNMIVQPWSA-N 2 0 327.472 3.364 20 0 EGADRP C[C@@H]1CCc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)sc2C1 ZINC001327386705 1388509692 /nfs/dbraw/zinc/50/96/92/1388509692.db2.gz MGCJJRVBPASSNA-ZBFHGGJFSA-N 2 0 333.545 3.480 20 0 EGADRP C[NH+]1CCC2(CN(Cc3c[nH]c4ccc(Br)cc34)C2)CC1 ZINC001138321851 1377701850 /nfs/dbraw/zinc/70/18/50/1377701850.db2.gz LVHUPMNOXKLKHE-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc3[nH]ccc3c1Cl)CC2 ZINC001138933508 1377804512 /nfs/dbraw/zinc/80/45/12/1377804512.db2.gz CVWBGVHVSHJXKF-UHFFFAOYSA-N 2 0 332.879 3.476 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139066956 1377823930 /nfs/dbraw/zinc/82/39/30/1377823930.db2.gz MAEZDIJVWTYWNY-UHFFFAOYSA-N 2 0 343.490 3.418 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2C1 ZINC001139082887 1377827015 /nfs/dbraw/zinc/82/70/15/1377827015.db2.gz DQRRXJRWUNXNIJ-HDICACEKSA-N 2 0 338.455 3.043 20 0 EGADRP CCn1ccc2c1cccc2CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001139159433 1377841937 /nfs/dbraw/zinc/84/19/37/1377841937.db2.gz YMXKBZHCTXISQK-UHFFFAOYSA-N 2 0 344.547 3.367 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)c2ccccc12 ZINC001139891603 1377973278 /nfs/dbraw/zinc/97/32/78/1377973278.db2.gz ZTUUXQWRZWMGAS-LEWJYISDSA-N 2 0 341.474 3.189 20 0 EGADRP Cc1cc(Br)c(F)cc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001140791399 1378137290 /nfs/dbraw/zinc/13/72/90/1378137290.db2.gz JSZGLYFDAIMYIR-OCCSQVGLSA-N 2 0 341.268 3.280 20 0 EGADRP CC[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)[NH+](CC)CC ZINC001140895873 1378174360 /nfs/dbraw/zinc/17/43/60/1378174360.db2.gz HKYUAWPNFODAEF-UYAOXDASSA-N 2 0 345.531 3.087 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c1 ZINC001276576521 1378180297 /nfs/dbraw/zinc/18/02/97/1378180297.db2.gz GNFHQNPWRXYMLQ-GHTZIAJQSA-N 2 0 345.506 3.336 20 0 EGADRP C[NH+]1CCC(NC(=O)[C@H]2CCC[C@]23CC[N@H+](CCC(C)(C)C)C3)CC1 ZINC001277254605 1378212726 /nfs/dbraw/zinc/21/27/26/1378212726.db2.gz UXVSAUZVELZLKR-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(N2CCC3(CC[N@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001277624641 1378240739 /nfs/dbraw/zinc/24/07/39/1378240739.db2.gz FWILPGZQRLAWIY-UHFFFAOYSA-N 2 0 347.469 3.211 20 0 EGADRP c1c[nH]c(C[NH+]2CC3(C2)CC[NH+](Cc2cncc(C4CC4)c2)CC3)c1 ZINC001277624368 1378240797 /nfs/dbraw/zinc/24/07/97/1378240797.db2.gz AZFMZWYSFNHUDV-UHFFFAOYSA-N 2 0 336.483 3.385 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C2)CC1 ZINC001141208344 1378269851 /nfs/dbraw/zinc/26/98/51/1378269851.db2.gz CAGCSNYALGZWCI-UHFFFAOYSA-N 2 0 325.431 3.415 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001278567607 1378283436 /nfs/dbraw/zinc/28/34/36/1378283436.db2.gz GWJKZNXHSRRBPK-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(-c2ccsc2)c1 ZINC001141384709 1378315426 /nfs/dbraw/zinc/31/54/26/1378315426.db2.gz VNIMBRDUQMYZFK-UHFFFAOYSA-N 2 0 331.529 3.340 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141740038 1378369581 /nfs/dbraw/zinc/36/95/81/1378369581.db2.gz SBVSGKCOILWVSU-UHFFFAOYSA-N 2 0 337.511 3.183 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C2)CC1 ZINC001142978168 1378519815 /nfs/dbraw/zinc/51/98/15/1378519815.db2.gz KICYUGXXUJPQJM-UHFFFAOYSA-N 2 0 342.874 3.325 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)c(OC)c3)C[C@H]2C1 ZINC001143352035 1378585091 /nfs/dbraw/zinc/58/50/91/1378585091.db2.gz GHYSLCOAKBBITF-GASCZTMLSA-N 2 0 342.405 3.488 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001282736382 1378586795 /nfs/dbraw/zinc/58/67/95/1378586795.db2.gz BLOIRAIEQYAPID-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001282744503 1378595475 /nfs/dbraw/zinc/59/54/75/1378595475.db2.gz OPOLYBZUJQSITI-UZLBHIALSA-N 2 0 345.531 3.087 20 0 EGADRP CCOc1c(Cl)ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1F ZINC001143825718 1378651152 /nfs/dbraw/zinc/65/11/52/1378651152.db2.gz WCRNZGLJHBQRGQ-OCCSQVGLSA-N 2 0 326.843 3.261 20 0 EGADRP Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144269255 1378707861 /nfs/dbraw/zinc/70/78/61/1378707861.db2.gz IHJIVZAMMVVSAV-MOPGFXCFSA-N 2 0 337.467 3.131 20 0 EGADRP Oc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144269257 1378707999 /nfs/dbraw/zinc/70/79/99/1378707999.db2.gz IHJIVZAMMVVSAV-RBUKOAKNSA-N 2 0 337.467 3.131 20 0 EGADRP COc1cc(Cl)cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001144488570 1378736507 /nfs/dbraw/zinc/73/65/07/1378736507.db2.gz OHNOEYXTDLHNOF-UHFFFAOYSA-N 2 0 341.927 3.054 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CCC2CCCCCC2)CC1 ZINC001146383945 1378831581 /nfs/dbraw/zinc/83/15/81/1378831581.db2.gz NXCPGHVWURSVEQ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001146383946 1378832020 /nfs/dbraw/zinc/83/20/20/1378832020.db2.gz NYCBKTUYNDPPGL-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398288 1378833943 /nfs/dbraw/zinc/83/39/43/1378833943.db2.gz NMCAPHSAUBXTLP-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408455 1378835749 /nfs/dbraw/zinc/83/57/49/1378835749.db2.gz JOAJVNZGGWJWFF-ROUUACIJSA-N 2 0 345.531 3.279 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533498 1378861620 /nfs/dbraw/zinc/86/16/20/1378861620.db2.gz GQWXFAPNILSTEM-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146536632 1378862355 /nfs/dbraw/zinc/86/23/55/1378862355.db2.gz SMILHCIWLHNPEU-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146535325 1378862651 /nfs/dbraw/zinc/86/26/51/1378862651.db2.gz MDGSLTMCYQMDBS-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583449 1378871134 /nfs/dbraw/zinc/87/11/34/1378871134.db2.gz LFIUBURXCVGGTO-HOTGVXAUSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001146591916 1378873264 /nfs/dbraw/zinc/87/32/64/1378873264.db2.gz IHCMMXDHUBGHBT-OALUTQOASA-N 2 0 347.547 3.222 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CC2)o1 ZINC001146699005 1378899909 /nfs/dbraw/zinc/89/99/09/1378899909.db2.gz BJGRUYOZGSLVGV-GJZGRUSLSA-N 2 0 335.492 3.018 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001147357992 1379008584 /nfs/dbraw/zinc/00/85/84/1379008584.db2.gz BTDBQCLCNJOHEM-UYAOXDASSA-N 2 0 345.531 3.416 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001147359729 1379009081 /nfs/dbraw/zinc/00/90/81/1379009081.db2.gz URHKYPGOYQYZLG-VQTJNVASSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CCCC1CCC1 ZINC001147449325 1379023007 /nfs/dbraw/zinc/02/30/07/1379023007.db2.gz ODGDYQICRMOUDD-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](C[C@@H](C)CC)C2)[NH+](C)C ZINC001327695974 1388585817 /nfs/dbraw/zinc/58/58/17/1388585817.db2.gz MRHHLCVKOQJIFS-HNAYVOBHSA-N 2 0 331.504 3.005 20 0 EGADRP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001283612440 1379052948 /nfs/dbraw/zinc/05/29/48/1379052948.db2.gz QIQKISHTXZLQOR-MRXNPFEDSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001283618563 1379057510 /nfs/dbraw/zinc/05/75/10/1379057510.db2.gz VSOWZMOAPDBZOZ-PXNSSMCTSA-N 2 0 347.547 3.333 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717567 1379065719 /nfs/dbraw/zinc/06/57/19/1379065719.db2.gz ZRXXHQLNMKRDHG-VOFKWLDRSA-N 2 0 347.547 3.140 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001147824516 1379085491 /nfs/dbraw/zinc/08/54/91/1379085491.db2.gz KRUJPJLJIOIITF-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC1CCCCCC1)C2 ZINC001147836371 1379088301 /nfs/dbraw/zinc/08/83/01/1379088301.db2.gz TWXKPJNDIVPUIL-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@@H+]2CCC3(CN(C(=O)CCC[NH+](C)C)C3)C2)C1 ZINC001148174839 1379128280 /nfs/dbraw/zinc/12/82/80/1379128280.db2.gz YCQOMNAYBYBWFA-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2)[NH+](CC)CC ZINC001148285141 1379146386 /nfs/dbraw/zinc/14/63/86/1379146386.db2.gz NYRJOVQUVGMUGL-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315517 1379151020 /nfs/dbraw/zinc/15/10/20/1379151020.db2.gz NEVVSNAZZJEPJE-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC3(C2)CC[N@H+](CCCC(C)(C)C)C3)CC1 ZINC001148385017 1379161275 /nfs/dbraw/zinc/16/12/75/1379161275.db2.gz MTFKYDTYBDTYKE-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477547 1379182705 /nfs/dbraw/zinc/18/27/05/1379182705.db2.gz XAOFCDGIGXTHRR-ZBTAVZRMSA-N 2 0 349.563 3.243 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148551727 1379209151 /nfs/dbraw/zinc/20/91/51/1379209151.db2.gz STHWUJTWDCOQGF-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001148577728 1379216291 /nfs/dbraw/zinc/21/62/91/1379216291.db2.gz AIXATCBCKHZJHG-KRWDZBQOSA-N 2 0 347.547 3.483 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001148583468 1379217539 /nfs/dbraw/zinc/21/75/39/1379217539.db2.gz LHJKOUKLVLGJJE-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@H]1C ZINC001283925961 1379277364 /nfs/dbraw/zinc/27/73/64/1379277364.db2.gz FKFZTUYCVMELTP-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP Fc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC001327838427 1388603874 /nfs/dbraw/zinc/60/38/74/1388603874.db2.gz HBEVEHBQEMTYQV-VAMGGRTRSA-N 2 0 331.479 3.305 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)C[C@@H]1C ZINC001284018600 1379367556 /nfs/dbraw/zinc/36/75/56/1379367556.db2.gz UKAFECGVTABVHC-PKOBYXMFSA-N 2 0 345.531 3.231 20 0 EGADRP Cc1cc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc2o1 ZINC001150742887 1379603873 /nfs/dbraw/zinc/60/38/73/1379603873.db2.gz YAAYNRCEGGJHGG-UHFFFAOYSA-N 2 0 345.487 3.087 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001151361297 1379704676 /nfs/dbraw/zinc/70/46/76/1379704676.db2.gz DLUHRVIHEDRBNX-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001151361664 1379704831 /nfs/dbraw/zinc/70/48/31/1379704831.db2.gz MJOKWFCUUMITRV-XGICHPGQSA-N 2 0 343.515 3.062 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001151361653 1379704992 /nfs/dbraw/zinc/70/49/92/1379704992.db2.gz LXHRTDNULJXNFK-GOSISDBHSA-N 2 0 331.504 3.028 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001151362508 1379705998 /nfs/dbraw/zinc/70/59/98/1379705998.db2.gz XXFYVWMETTYWGJ-MOPGFXCFSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001152383614 1379923557 /nfs/dbraw/zinc/92/35/57/1379923557.db2.gz IHVYDPZFYXAFCM-ZWKOTPCHSA-N 2 0 345.531 3.284 20 0 EGADRP CCCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001152391747 1379925552 /nfs/dbraw/zinc/92/55/52/1379925552.db2.gz FLLXFQQAEWAPRR-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001152393108 1379926175 /nfs/dbraw/zinc/92/61/75/1379926175.db2.gz BYDCQQKFXVYMPI-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153727944 1380119522 /nfs/dbraw/zinc/11/95/22/1380119522.db2.gz ITWNZQRWPIKLOO-AMQGLKLZSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823858 1380137553 /nfs/dbraw/zinc/13/75/53/1380137553.db2.gz BHEWJYFZBUWWHY-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828120 1380138257 /nfs/dbraw/zinc/13/82/57/1380138257.db2.gz GVONZPGSXZVBCW-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153846022 1380142453 /nfs/dbraw/zinc/14/24/53/1380142453.db2.gz AUMKCHJFAANXDC-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154482101 1380286598 /nfs/dbraw/zinc/28/65/98/1380286598.db2.gz YWOWTFXOZOBHAA-QGZVFWFLSA-N 2 0 333.520 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccccc2)C1 ZINC001154785057 1380350701 /nfs/dbraw/zinc/35/07/01/1380350701.db2.gz XREUVNOKDBIUSD-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP COc1cc2c[nH+]c(NC[C@H]3CCC[NH2+]C[C@@H]3C)cc2cc1OC ZINC001155034019 1380395538 /nfs/dbraw/zinc/39/55/38/1380395538.db2.gz VEWRVDIFWFHXGO-UONOGXRCSA-N 2 0 329.444 3.300 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)C)[NH+](CC)CC ZINC001155180562 1380420309 /nfs/dbraw/zinc/42/03/09/1380420309.db2.gz FNQPGOVRTUAJEG-MSOLQXFVSA-N 2 0 327.557 3.370 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263647 1380430183 /nfs/dbraw/zinc/43/01/83/1380430183.db2.gz UYEMOEADCIKAJJ-QZTJIDSGSA-N 2 0 341.584 3.473 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C/C=C\Cl ZINC001155877835 1380502016 /nfs/dbraw/zinc/50/20/16/1380502016.db2.gz LHPUWOJEXAVTKI-BLIJAFNYSA-N 2 0 331.932 3.078 20 0 EGADRP Cc1c(C)n(-c2cc(N3CCCC3)[nH+]c(C)n2)c2ccc(C[NH3+])cc12 ZINC001155903611 1380504262 /nfs/dbraw/zinc/50/42/62/1380504262.db2.gz WOEJKGQOVAOFPZ-UHFFFAOYSA-N 2 0 335.455 3.405 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994235 1380511519 /nfs/dbraw/zinc/51/15/19/1380511519.db2.gz MDYFQQUNRJCZBO-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993924 1380511667 /nfs/dbraw/zinc/51/16/67/1380511667.db2.gz AUTNXIJDAVBNCU-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131364 1380529152 /nfs/dbraw/zinc/52/91/52/1380529152.db2.gz MYVTYVIFTGPAOS-GOSISDBHSA-N 2 0 339.568 3.370 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341983 1380561631 /nfs/dbraw/zinc/56/16/31/1380561631.db2.gz PZNCTPBUSVZXAF-XLIONFOSSA-N 2 0 333.520 3.090 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374772 1380566930 /nfs/dbraw/zinc/56/69/30/1380566930.db2.gz WYZNFJHMSKRHAB-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(CC)c1 ZINC001156517364 1380587072 /nfs/dbraw/zinc/58/70/72/1380587072.db2.gz WFCITOSKIAPTDJ-GOSISDBHSA-N 2 0 347.547 3.308 20 0 EGADRP CCCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001156928005 1380731284 /nfs/dbraw/zinc/73/12/84/1380731284.db2.gz RPFIWCPBILGTRF-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109040 1380776797 /nfs/dbraw/zinc/77/67/97/1380776797.db2.gz HHRULWBKZNNPFQ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](Cc1ccccc1Cl)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113269 1380778955 /nfs/dbraw/zinc/77/89/55/1380778955.db2.gz GAUVYVHJDOGLGD-OAHLLOKOSA-N 2 0 339.911 3.007 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118686 1380780207 /nfs/dbraw/zinc/78/02/07/1380780207.db2.gz KREIGQVODHFCCT-MJGOQNOKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157119283 1380780933 /nfs/dbraw/zinc/78/09/33/1380780933.db2.gz SMRAGPJAQRTPPC-QUCCMNQESA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157119303 1380781304 /nfs/dbraw/zinc/78/13/04/1380781304.db2.gz UGEYABTUNMMVHY-VEUZHWNKSA-N 2 0 343.943 3.076 20 0 EGADRP CCC[NH+]1C[C@@H]2CN(c3ccc([C@@H]4CCCC[N@@H+]4CC)cn3)C[C@H]2C1 ZINC001157698060 1381006256 /nfs/dbraw/zinc/00/62/56/1381006256.db2.gz BICCEIIOIKEXOB-AQNXPRMDSA-N 2 0 342.531 3.407 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001157893215 1381062733 /nfs/dbraw/zinc/06/27/33/1381062733.db2.gz BDQHSBBRPBBYGB-QUCCMNQESA-N 2 0 345.531 3.333 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157964928 1381083715 /nfs/dbraw/zinc/08/37/15/1381083715.db2.gz INTRFGNVIJNOQT-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978191 1381091458 /nfs/dbraw/zinc/09/14/58/1381091458.db2.gz OWIHEMYMJRLLIL-GUDVDZBRSA-N 2 0 337.552 3.076 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001158038611 1381109532 /nfs/dbraw/zinc/10/95/32/1381109532.db2.gz QAFKPHOVKVNEQU-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158079671 1381122055 /nfs/dbraw/zinc/12/20/55/1381122055.db2.gz LHRNRBUPFTZCHF-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082744 1381123607 /nfs/dbraw/zinc/12/36/07/1381123607.db2.gz JYXDZKUREQZRKD-RTBURBONSA-N 2 0 337.552 3.364 20 0 EGADRP CC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097779 1381126999 /nfs/dbraw/zinc/12/69/99/1381126999.db2.gz DYFCYIWXAXFGOR-OAJJDEHYSA-N 2 0 335.536 3.093 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001158283305 1381184254 /nfs/dbraw/zinc/18/42/54/1381184254.db2.gz JTOTWUUTMIYVDN-LJQANCHMSA-N 2 0 337.552 3.364 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473044 1381257222 /nfs/dbraw/zinc/25/72/22/1381257222.db2.gz JCCQVSCXXAWWHU-RLWBPELLSA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001158507397 1381272308 /nfs/dbraw/zinc/27/23/08/1381272308.db2.gz DYOIKBPGUGMIBR-HXUWFJFHSA-N 2 0 345.531 3.127 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001328282165 1388713015 /nfs/dbraw/zinc/71/30/15/1388713015.db2.gz YBYKWANFJZFLCT-PKOBYXMFSA-N 2 0 345.531 3.134 20 0 EGADRP [NH3+]C1CCN(c2ncccc2Nc2ccc([C@H]3CCC[NH2+]3)cc2)CC1 ZINC001159261321 1381745899 /nfs/dbraw/zinc/74/58/99/1381745899.db2.gz GYMMARWKCOPZKQ-GOSISDBHSA-N 2 0 337.471 3.177 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001159328610 1381764095 /nfs/dbraw/zinc/76/40/95/1381764095.db2.gz UFMFBDXGXRQKEM-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP c1ccc(C[N@H+]2CC=C(Nc3ccc(N4CC[NH2+]CC4)cc3)CC2)cc1 ZINC001159455249 1381798534 /nfs/dbraw/zinc/79/85/34/1381798534.db2.gz DKMAPMLRTFUXCZ-UHFFFAOYSA-N 2 0 348.494 3.298 20 0 EGADRP C[NH+]1CCN(c2cccc(Nc3ccc(C(C)(C)C[NH3+])cc3)c2)CC1 ZINC001159580968 1381835670 /nfs/dbraw/zinc/83/56/70/1381835670.db2.gz FTZFXRRJDULZOM-UHFFFAOYSA-N 2 0 338.499 3.418 20 0 EGADRP COc1ccc2c(Nc3cccc(CN4CC[NH2+]CC4)c3)cc[nH+]c2c1 ZINC001159631333 1381853646 /nfs/dbraw/zinc/85/36/46/1381853646.db2.gz NTYMDTPVSWEBQQ-UHFFFAOYSA-N 2 0 348.450 3.392 20 0 EGADRP c1cc(CN2CC[NH2+]CC2)cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001159631378 1381853825 /nfs/dbraw/zinc/85/38/25/1381853825.db2.gz OLHPCCDMPSAHMM-OAQYLSRUSA-N 2 0 340.515 3.036 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001159680851 1381865824 /nfs/dbraw/zinc/86/58/24/1381865824.db2.gz CUUSLTYIUNYJHA-UHFFFAOYSA-N 2 0 339.483 3.449 20 0 EGADRP c1ccc(C[N@H+]2CC=C(Nc3cccc(N4CC[NH2+]CC4)c3)CC2)cc1 ZINC001159855843 1381921200 /nfs/dbraw/zinc/92/12/00/1381921200.db2.gz JVPZRUBWTVVDPB-UHFFFAOYSA-N 2 0 348.494 3.298 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001159907578 1381934370 /nfs/dbraw/zinc/93/43/70/1381934370.db2.gz AMNPPNWXRSMTSR-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001159911531 1381934920 /nfs/dbraw/zinc/93/49/20/1381934920.db2.gz ZVDAOOSVQHYZLD-UYAOXDASSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001328469007 1388756617 /nfs/dbraw/zinc/75/66/17/1388756617.db2.gz NUORMDUCHJLXBV-LJQANCHMSA-N 2 0 345.531 3.088 20 0 EGADRP O[C@@H](C[NH2+]CCc1ccccc1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001160250353 1382048997 /nfs/dbraw/zinc/04/89/97/1382048997.db2.gz RJINFAWMAFTETN-NRFANRHFSA-N 2 0 333.435 3.113 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353327 1382080916 /nfs/dbraw/zinc/08/09/16/1382080916.db2.gz RWUZBSURZNQGLH-HXUWFJFHSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001290312409 1382081008 /nfs/dbraw/zinc/08/10/08/1382081008.db2.gz KHEVDAFRCZULFH-IRXDYDNUSA-N 2 0 349.544 3.123 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160360663 1382082356 /nfs/dbraw/zinc/08/23/56/1382082356.db2.gz UJJTXCJMUGMRLC-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2=CC[N@H+](CCCC3CCC3)CC2)CCC1 ZINC001160360083 1382082403 /nfs/dbraw/zinc/08/24/03/1382082403.db2.gz IKDMDTOTBSGHAK-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2ccc(C3(O)CC[NH2+]CC3)cc2)cc1 ZINC001160376169 1382086919 /nfs/dbraw/zinc/08/69/19/1382086919.db2.gz XYHCSWQAFANDJK-UHFFFAOYSA-N 2 0 325.456 3.195 20 0 EGADRP c1ccc(C[N@@H+]2CCC=C(Nc3cccc4c3[C@H]3C[NH2+]C[C@@H]3O4)C2)cc1 ZINC001160394263 1382092497 /nfs/dbraw/zinc/09/24/97/1382092497.db2.gz GTBZYJMNJAKCNF-RXVVDRJESA-N 2 0 347.462 3.336 20 0 EGADRP c1cc2c(c(Nc3cccc(C[NH+]4CCCC4)c3)c1)[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394251 1382092540 /nfs/dbraw/zinc/09/25/40/1382092540.db2.gz GLTBIFFPPABAPD-XLIONFOSSA-N 2 0 335.451 3.474 20 0 EGADRP CC(C)(C)[NH+]1CCN(C(=O)C[C@H]([NH3+])c2cccc3ccccc32)CC1 ZINC001160577103 1382146917 /nfs/dbraw/zinc/14/69/17/1382146917.db2.gz GDMZGQPOIKLNET-IBGZPJMESA-N 2 0 339.483 3.172 20 0 EGADRP [NH3+]C1CCN(c2cccc(NCCc3c[nH]c4ccccc34)[nH+]2)CC1 ZINC001160779756 1382193688 /nfs/dbraw/zinc/19/36/88/1382193688.db2.gz CPEHLZLXFNVCQJ-UHFFFAOYSA-N 2 0 335.455 3.145 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804407 1382201820 /nfs/dbraw/zinc/20/18/20/1382201820.db2.gz KETLXWNVGNIPHC-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160855954 1382217470 /nfs/dbraw/zinc/21/74/70/1382217470.db2.gz DRPKNEUDNPDJPS-QGZVFWFLSA-N 2 0 335.536 3.045 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160870506 1382219807 /nfs/dbraw/zinc/21/98/07/1382219807.db2.gz YJBZSOKXZUNVPK-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160868256 1382220107 /nfs/dbraw/zinc/22/01/07/1382220107.db2.gz LEXCJIOOTOXPBT-UXHICEINSA-N 2 0 349.563 3.460 20 0 EGADRP COc1ccc2nc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c(C)cc2c1 ZINC001160944443 1382245973 /nfs/dbraw/zinc/24/59/73/1382245973.db2.gz KTJSRXNFRXBXGY-UHFFFAOYSA-N 2 0 332.407 3.392 20 0 EGADRP [NH3+]CCc1cn(-c2ncnc3c2ccn3C2CCCC2)c2cc[nH+]cc12 ZINC001160946214 1382246572 /nfs/dbraw/zinc/24/65/72/1382246572.db2.gz VZRZUOIGZZYHJF-UHFFFAOYSA-N 2 0 346.438 3.387 20 0 EGADRP [NH3+]CCc1cn(-c2ccc(-c3ccccc3F)nn2)c2cc[nH+]cc12 ZINC001160951304 1382248784 /nfs/dbraw/zinc/24/87/84/1382248784.db2.gz DTHSUPISTKTWSN-UHFFFAOYSA-N 2 0 333.370 3.123 20 0 EGADRP Cc1cccc(-c2ccc(-n3cc(CC[NH3+])c4c[nH+]ccc43)nn2)c1 ZINC001160950450 1382248870 /nfs/dbraw/zinc/24/88/70/1382248870.db2.gz NCDFQODNSIRDJU-UHFFFAOYSA-N 2 0 329.407 3.292 20 0 EGADRP [NH3+]CCc1cn(-c2ncnc3sc4c(c32)CCC4)c2cc[nH+]cc12 ZINC001160950628 1382249359 /nfs/dbraw/zinc/24/93/59/1382249359.db2.gz OPPQSNADNBYYMS-UHFFFAOYSA-N 2 0 335.436 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001161042377 1382280731 /nfs/dbraw/zinc/28/07/31/1382280731.db2.gz PLZMQHCZXJGVKI-IBGZPJMESA-N 2 0 345.531 3.064 20 0 EGADRP Cc1cccc([C@H](C)[N@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)c1 ZINC001161107126 1382299502 /nfs/dbraw/zinc/29/95/02/1382299502.db2.gz ZNCFOVIANHISBA-SFHVURJKSA-N 2 0 343.515 3.146 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205852 1382340778 /nfs/dbraw/zinc/34/07/78/1382340778.db2.gz HGXLGPVILWSLKK-SFHVURJKSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161205694 1382340925 /nfs/dbraw/zinc/34/09/25/1382340925.db2.gz FTGAYEHDMWBLGQ-KQPGTDLCSA-N 2 0 347.547 3.069 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])C1CCCCC1)c1ccsc1 ZINC001328592389 1388785770 /nfs/dbraw/zinc/78/57/70/1388785770.db2.gz SMLVRKBNASHXBW-IAGOWNOFSA-N 2 0 337.533 3.155 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)CC1 ZINC001161622780 1382462942 /nfs/dbraw/zinc/46/29/42/1382462942.db2.gz SHAZPUNUJWIGKH-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001161646031 1382469229 /nfs/dbraw/zinc/46/92/29/1382469229.db2.gz YDXIUFFHRKDUPO-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161704752 1382485327 /nfs/dbraw/zinc/48/53/27/1382485327.db2.gz HUSGPJOPILHQAL-IBGZPJMESA-N 2 0 335.536 3.047 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)C1 ZINC001161705807 1382485793 /nfs/dbraw/zinc/48/57/93/1382485793.db2.gz YGEZOMLZPSNUBT-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCCC[NH+]1CCN(C)CC1 ZINC001161711918 1382487614 /nfs/dbraw/zinc/48/76/14/1382487614.db2.gz SQXBLAAYPUFGEH-UHFFFAOYSA-N 2 0 344.547 3.030 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001161873185 1382536231 /nfs/dbraw/zinc/53/62/31/1382536231.db2.gz VMGXHCYTGWZLLE-UHFFFAOYSA-N 2 0 340.471 3.014 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924882 1382555028 /nfs/dbraw/zinc/55/50/28/1382555028.db2.gz OGBZIXAGQGYQPF-QZTJIDSGSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161938163 1382561402 /nfs/dbraw/zinc/56/14/02/1382561402.db2.gz JUXQQFAWZUBYDJ-UHFFFAOYSA-N 2 0 343.515 3.300 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161993661 1382592295 /nfs/dbraw/zinc/59/22/95/1382592295.db2.gz HETFGCKSEYVZNQ-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP COc1cccc2c(NCCC[NH2+]CCCC[NH3+])cc(Cl)nc12 ZINC001162289150 1382722927 /nfs/dbraw/zinc/72/29/27/1382722927.db2.gz HTZAWZZUDOADRX-UHFFFAOYSA-N 2 0 336.867 3.027 20 0 EGADRP CC(C)[NH+]1CCN(Cc2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)c(F)c2)CC1 ZINC001162404970 1382748943 /nfs/dbraw/zinc/74/89/43/1382748943.db2.gz RXKDZBCTFHANGR-ZWKOTPCHSA-N 2 0 348.510 3.034 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)nc1 ZINC001162844841 1382892707 /nfs/dbraw/zinc/89/27/07/1382892707.db2.gz OLUGZQHRQFANPP-LPHOPBHVSA-N 2 0 336.483 3.478 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)c1 ZINC001162910206 1382913466 /nfs/dbraw/zinc/91/34/66/1382913466.db2.gz QXGSUSHQATUKEV-GUYCJALGSA-N 2 0 346.438 3.117 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C)c2ccc(C)c(C)c2n1 ZINC001163129029 1382971955 /nfs/dbraw/zinc/97/19/55/1382971955.db2.gz RYRNDDSJKWMUOO-UHFFFAOYSA-N 2 0 327.476 3.438 20 0 EGADRP c1cc2[nH]c3cc(NC[C@@H]4CO[C@@]5(C4)CCC[NH2+]C5)ccc3c2c[nH+]1 ZINC001163288188 1383013376 /nfs/dbraw/zinc/01/33/76/1383013376.db2.gz AHMULAGHDUWXKC-JLTOFOAXSA-N 2 0 336.439 3.287 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297502 1383014802 /nfs/dbraw/zinc/01/48/02/1383014802.db2.gz NZEDIBPIIDROOM-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1cc(N[C@@H](C)C[NH+](C)C)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001163770813 1383120285 /nfs/dbraw/zinc/12/02/85/1383120285.db2.gz SCEQEFDOWUFKDD-KRWDZBQOSA-N 2 0 338.499 3.310 20 0 EGADRP COc1cc2cc[nH+]c(N3CCC[C@](C)(C[NH3+])CC3)c2cc1OC ZINC001164246989 1383171044 /nfs/dbraw/zinc/17/10/44/1383171044.db2.gz FWMNCLBTQASPDE-IBGZPJMESA-N 2 0 329.444 3.207 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001164455497 1383188490 /nfs/dbraw/zinc/18/84/90/1383188490.db2.gz CLBFGWCAKLQMSY-AEFFLSMTSA-N 2 0 349.494 3.105 20 0 EGADRP CC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491239 1383192827 /nfs/dbraw/zinc/19/28/27/1383192827.db2.gz CSDDSWJFDRROIL-GNAXCBTBSA-N 2 0 335.536 3.236 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514276 1383195273 /nfs/dbraw/zinc/19/52/73/1383195273.db2.gz NZULCAOQBRVZNL-OVKVCFKUSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531365 1383196976 /nfs/dbraw/zinc/19/69/76/1383196976.db2.gz FVAIDJXGDMNDGY-ROUUACIJSA-N 2 0 349.563 3.173 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@H]32)cc1 ZINC001165082910 1383224449 /nfs/dbraw/zinc/22/44/49/1383224449.db2.gz FFKFLYCWYNFIET-TZIWHRDSSA-N 2 0 348.494 3.393 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165334100 1383275836 /nfs/dbraw/zinc/27/58/36/1383275836.db2.gz VAXJVTFCVUDJTI-QWNKOJSDSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165472040 1383300147 /nfs/dbraw/zinc/30/01/47/1383300147.db2.gz FANFNLBYVUSCNN-ACBHZAAOSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1)[NH+](C)C ZINC001165718637 1383331340 /nfs/dbraw/zinc/33/13/40/1383331340.db2.gz NKXRNNDSIVKWGA-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165728770 1383334446 /nfs/dbraw/zinc/33/44/46/1383334446.db2.gz UCTRWNJGJCJQHH-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001165764125 1383341915 /nfs/dbraw/zinc/34/19/15/1383341915.db2.gz MPDPDWFAHFZKQR-ACBHZAAOSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165912390 1383363481 /nfs/dbraw/zinc/36/34/81/1383363481.db2.gz QUKFQFPVWFXXHD-OAHLLOKOSA-N 2 0 342.487 3.179 20 0 EGADRP Nc1cccc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)[nH+]1 ZINC001166495690 1383429188 /nfs/dbraw/zinc/42/91/88/1383429188.db2.gz SKTYXPYJAQRGCR-UHFFFAOYSA-N 2 0 331.379 3.175 20 0 EGADRP CC(C)(C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1)[NH+]1CCCC1 ZINC001166546437 1383437002 /nfs/dbraw/zinc/43/70/02/1383437002.db2.gz ZHECALYCOLOPGM-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001166743980 1383469891 /nfs/dbraw/zinc/46/98/91/1383469891.db2.gz BOCMTLIZTQHRLX-UHFFFAOYSA-N 2 0 347.547 3.384 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001166851868 1383487764 /nfs/dbraw/zinc/48/77/64/1383487764.db2.gz JIJDTJJRKMGHAD-JXFKEZNVSA-N 2 0 341.499 3.337 20 0 EGADRP CC[C@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001166882688 1383493757 /nfs/dbraw/zinc/49/37/57/1383493757.db2.gz NSWRVVXAGVZHHX-IBGZPJMESA-N 2 0 345.531 3.356 20 0 EGADRP c1ccc([C@@H](CNc2ccnc(N3CCCC3)n2)[NH+]2CCCC2)cc1 ZINC001166888148 1383493998 /nfs/dbraw/zinc/49/39/98/1383493998.db2.gz DGWZQVIFKAFBBV-GOSISDBHSA-N 2 0 337.471 3.326 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167179846 1383559573 /nfs/dbraw/zinc/55/95/73/1383559573.db2.gz SYGBDIAAUMGRSQ-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001167179829 1383559737 /nfs/dbraw/zinc/55/97/37/1383559737.db2.gz SLJOUHWZRYAJFW-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167179673 1383559878 /nfs/dbraw/zinc/55/98/78/1383559878.db2.gz OMQOIRONRFYMNA-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[N@H+](CC(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1)CC(C)(C)C ZINC001167240270 1383573162 /nfs/dbraw/zinc/57/31/62/1383573162.db2.gz HJDAWMYAJGMBKL-UHFFFAOYSA-N 2 0 345.531 3.041 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385544 1383619285 /nfs/dbraw/zinc/61/92/85/1383619285.db2.gz IJZQQQUXMPWJEO-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001167426073 1383631297 /nfs/dbraw/zinc/63/12/97/1383631297.db2.gz PBTQXQLRPZLFAI-MRXNPFEDSA-N 2 0 334.508 3.045 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001167480726 1383647215 /nfs/dbraw/zinc/64/72/15/1383647215.db2.gz SGMYTAYGHXYVFW-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001167610057 1383688958 /nfs/dbraw/zinc/68/89/58/1383688958.db2.gz QBQYVGWPIQMWFY-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001167619829 1383690579 /nfs/dbraw/zinc/69/05/79/1383690579.db2.gz KYTWEPMSJSKOTE-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001167635345 1383694177 /nfs/dbraw/zinc/69/41/77/1383694177.db2.gz JEGJNCBPFHVYOT-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167639770 1383695813 /nfs/dbraw/zinc/69/58/13/1383695813.db2.gz FWKQPUWAHKRJNO-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001167641272 1383696491 /nfs/dbraw/zinc/69/64/91/1383696491.db2.gz XBSMIYINGWBMNE-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001167737223 1383726163 /nfs/dbraw/zinc/72/61/63/1383726163.db2.gz OVRZOYNMILGWEL-LJQANCHMSA-N 2 0 349.563 3.175 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001167742831 1383727209 /nfs/dbraw/zinc/72/72/09/1383727209.db2.gz YVHVEJMAJKZOEL-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001167742830 1383727556 /nfs/dbraw/zinc/72/75/56/1383727556.db2.gz YVHVEJMAJKZOEL-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001167783855 1383739854 /nfs/dbraw/zinc/73/98/54/1383739854.db2.gz GUNPTRUZVQKTEH-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167815727 1383747062 /nfs/dbraw/zinc/74/70/62/1383747062.db2.gz ZCNFONLMHHCLSO-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001167825380 1383750417 /nfs/dbraw/zinc/75/04/17/1383750417.db2.gz JZASJEVNVTXCBH-GBESFXJTSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001167827061 1383750793 /nfs/dbraw/zinc/75/07/93/1383750793.db2.gz RZNHCTMTTPCBBZ-AZUAARDMSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC001167827155 1383750927 /nfs/dbraw/zinc/75/09/27/1383750927.db2.gz UDHINBKFCGSTME-FQEVSTJZSA-N 2 0 347.547 3.194 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2ccnc(OC)c2)CC1 ZINC001167835272 1383753805 /nfs/dbraw/zinc/75/38/05/1383753805.db2.gz QOCNNFVBKHPKKA-KRWDZBQOSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001167841105 1383756768 /nfs/dbraw/zinc/75/67/68/1383756768.db2.gz KEAJDSQNABYEHZ-LPHOPBHVSA-N 2 0 332.488 3.269 20 0 EGADRP Cc1c2[nH+]c[nH]c2ccc1N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001167943764 1383774573 /nfs/dbraw/zinc/77/45/73/1383774573.db2.gz SJIPAASLNBXWLL-HNNXBMFYSA-N 2 0 332.448 3.123 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167962177 1383780054 /nfs/dbraw/zinc/78/00/54/1383780054.db2.gz VEJYTGNYTNNSNZ-IMKFEJLOSA-N 2 0 333.564 3.349 20 0 EGADRP c1nc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cc2)no1 ZINC001167963776 1383780934 /nfs/dbraw/zinc/78/09/34/1383780934.db2.gz DFJNGGOFJQUIAF-YQQQUEKLSA-N 2 0 338.455 3.232 20 0 EGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167969863 1383782325 /nfs/dbraw/zinc/78/23/25/1383782325.db2.gz GYGDUWDZWBUPTD-XVLXNVKGSA-N 2 0 334.891 3.368 20 0 EGADRP COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)Cc2ccccc2C1 ZINC001167981988 1383786353 /nfs/dbraw/zinc/78/63/53/1383786353.db2.gz RUFXHAIXPMQDRD-SEJPIABJSA-N 2 0 340.511 3.165 20 0 EGADRP CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001945 1383793213 /nfs/dbraw/zinc/79/32/13/1383793213.db2.gz AKVISWRRJBEXKO-KAKFPZCNSA-N 2 0 348.531 3.446 20 0 EGADRP COC(=O)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC001168009901 1383795579 /nfs/dbraw/zinc/79/55/79/1383795579.db2.gz IKXMDDWBMDTLKZ-IZZQQSIFSA-N 2 0 344.499 3.361 20 0 EGADRP Cc1c(CC[NH3+])c(=O)[nH]n1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168018798 1383798329 /nfs/dbraw/zinc/79/83/29/1383798329.db2.gz DSKVFJLTKZAHRZ-JLVBRIDZSA-N 2 0 342.487 3.012 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001168029141 1383800435 /nfs/dbraw/zinc/80/04/35/1383800435.db2.gz CRUOMZQDMSHCAW-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](F)[C@@H](O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039537 1383801876 /nfs/dbraw/zinc/80/18/76/1383801876.db2.gz GIEUYSONRSOPOG-LHDHZVESSA-N 2 0 334.479 3.223 20 0 EGADRP C[C@@H]1CC(N(C)C2CC[NH+](C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040224 1383803412 /nfs/dbraw/zinc/80/34/12/1383803412.db2.gz LIPZYIVMWUNGBY-QZTJIDSGSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H]1CC([N@@H+]2CCC3(CN(C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056269 1383805481 /nfs/dbraw/zinc/80/54/81/1383805481.db2.gz FBEHEKFKKUXVSP-QZTJIDSGSA-N 2 0 327.516 3.066 20 0 EGADRP C[C@@H]1CC(N2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059488 1383806519 /nfs/dbraw/zinc/80/65/19/1383806519.db2.gz FYDFOFKOMPEJGJ-QZTJIDSGSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@H]1CC(N(C)CC[NH+]2CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064315 1383808013 /nfs/dbraw/zinc/80/80/13/1383808013.db2.gz QBRMUBQVYUVMQP-OALUTQOASA-N 2 0 329.532 3.456 20 0 EGADRP C[C@@H]1C[C@H]([NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)CCO1 ZINC001168118135 1383820966 /nfs/dbraw/zinc/82/09/66/1383820966.db2.gz OOIGERQIXRBEON-IEBWSBKVSA-N 2 0 343.515 3.326 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001168300492 1383867645 /nfs/dbraw/zinc/86/76/45/1383867645.db2.gz XPSZMRLGIIFRAZ-GPANFISMSA-N 2 0 331.287 3.489 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2COc3cc(Br)ccc32)CC1 ZINC001168305887 1383868158 /nfs/dbraw/zinc/86/81/58/1383868158.db2.gz SGLCOTAXZTVECX-PIMMBPRGSA-N 2 0 339.277 3.345 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cncn2Cc2ccc(F)cc2)CC1 ZINC001168305775 1383868239 /nfs/dbraw/zinc/86/82/39/1383868239.db2.gz MPFARPYKLANKGI-UHFFFAOYSA-N 2 0 330.451 3.033 20 0 EGADRP COc1ccc(C2([NH2+]C3CCC([NH+](C)C)CC3)CCOCC2)cc1 ZINC001168304900 1383868421 /nfs/dbraw/zinc/86/84/21/1383868421.db2.gz AJUIYBGOBPEXJM-UHFFFAOYSA-N 2 0 332.488 3.163 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001168314978 1383871226 /nfs/dbraw/zinc/87/12/26/1383871226.db2.gz JPPZBUCXNIMDOM-ZUEPYMLJSA-N 2 0 331.287 3.489 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCC([NH+](C)C)CC4)C[C@@H]3C2)cc1 ZINC001168319278 1383871632 /nfs/dbraw/zinc/87/16/32/1383871632.db2.gz QKIWTZFYVOERQL-FDRBHKFBSA-N 3 0 341.543 3.231 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328931 1383873926 /nfs/dbraw/zinc/87/39/26/1383873926.db2.gz MMKFRTCXDUYBRR-GEOZSUPMSA-N 3 0 341.543 3.313 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(CCNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001168344369 1383878988 /nfs/dbraw/zinc/87/89/88/1383878988.db2.gz AKEAXMYZMLXPHS-GOSISDBHSA-N 2 0 345.531 3.272 20 0 EGADRP FC(F)(F)c1cncc(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168351408 1383880579 /nfs/dbraw/zinc/88/05/79/1383880579.db2.gz RZRSWAAUEYLCSO-UHFFFAOYSA-N 2 0 341.421 3.497 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CCCC2CCC2)cc1 ZINC001168435069 1383906335 /nfs/dbraw/zinc/90/63/35/1383906335.db2.gz VUDDTKHPLGCJJQ-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCC1([NH+]2CCCC2)COC1 ZINC001168447653 1383908546 /nfs/dbraw/zinc/90/85/46/1383908546.db2.gz KPRGCIWYOMJRPP-UHFFFAOYSA-N 2 0 343.515 3.258 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168454233 1383910614 /nfs/dbraw/zinc/91/06/14/1383910614.db2.gz AZZVCMSZSIZBGT-ARJAWSKDSA-N 2 0 349.563 3.485 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001168486702 1383920755 /nfs/dbraw/zinc/92/07/55/1383920755.db2.gz MZVKTTQRLNIPAW-YTQUADARSA-N 2 0 339.458 3.216 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH+]3CCC([N@H+](C)C4CC4)CC3)CCO2)cc1 ZINC001168665367 1383964159 /nfs/dbraw/zinc/96/41/59/1383964159.db2.gz PNWHMLPUTPFJRE-CTNGQTDRSA-N 2 0 344.499 3.474 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)C(C)C ZINC001168667396 1383964722 /nfs/dbraw/zinc/96/47/22/1383964722.db2.gz UFOHLVZTKNUQLF-QNOJTCODSA-N 2 0 345.531 3.162 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001168755122 1383992299 /nfs/dbraw/zinc/99/22/99/1383992299.db2.gz IOVKSMADVBCTGO-KRWDZBQOSA-N 2 0 333.520 3.309 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001168764293 1383995594 /nfs/dbraw/zinc/99/55/94/1383995594.db2.gz XPTLKWUCRDWQQW-QGZVFWFLSA-N 2 0 347.547 3.483 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168810455 1384014234 /nfs/dbraw/zinc/01/42/34/1384014234.db2.gz GSIROLYUHPUEIM-BBWFWOEESA-N 2 0 341.540 3.484 20 0 EGADRP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CCCOCCOCCC[NH3+] ZINC001169058704 1384101917 /nfs/dbraw/zinc/10/19/17/1384101917.db2.gz JMYCKUVZOGNNCH-FQEVSTJZSA-N 2 0 336.520 3.006 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001169093588 1384105594 /nfs/dbraw/zinc/10/55/94/1384105594.db2.gz ITHSYYSDYFMHLA-OSYLJGHBSA-N 2 0 339.524 3.286 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169093512 1384105603 /nfs/dbraw/zinc/10/56/03/1384105603.db2.gz IGCUCRDVHKXZSS-CODRONKASA-N 2 0 339.527 3.397 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093560 1384105744 /nfs/dbraw/zinc/10/57/44/1384105744.db2.gz IMSIUPWZWJIXLJ-MXEMCNAFSA-N 2 0 327.516 3.113 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)cc1)C2 ZINC001169107434 1384107899 /nfs/dbraw/zinc/10/78/99/1384107899.db2.gz GQQNRGNQXZKEPV-MUJYYYPQSA-N 2 0 342.405 3.385 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1)C2 ZINC001169109105 1384108030 /nfs/dbraw/zinc/10/80/30/1384108030.db2.gz YKXSIGLNPDXVEW-MUJYYYPQSA-N 2 0 337.508 3.039 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(C3CC[NH2+]CC3)c3ccc(F)cc31)C2 ZINC001169146106 1384114563 /nfs/dbraw/zinc/11/45/63/1384114563.db2.gz OMYOVDZUUFBAIV-FVQHAEBGSA-N 2 0 342.462 3.440 20 0 EGADRP CC1(C)C[C@H](Nc2cccc(CN3CC[C@@H]([NH3+])C3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151429 1384115505 /nfs/dbraw/zinc/11/55/05/1384115505.db2.gz JNAJEVCOHCVVDT-SLYNCCJLSA-N 2 0 344.547 3.175 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC001308366682 1384122471 /nfs/dbraw/zinc/12/24/71/1384122471.db2.gz QIJWWAYWSWNSBS-UHFFFAOYSA-N 2 0 342.487 3.297 20 0 EGADRP CC[NH+]1CCC(N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1 ZINC001169240029 1384126079 /nfs/dbraw/zinc/12/60/79/1384126079.db2.gz BMAXQTFPKRXDQG-UHFFFAOYSA-N 2 0 335.923 3.160 20 0 EGADRP CCC(CC)[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)N(CC)CC)CC1 ZINC001169446543 1384149041 /nfs/dbraw/zinc/14/90/41/1384149041.db2.gz IWYUQFIBBBVBFR-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001169457868 1384150270 /nfs/dbraw/zinc/15/02/70/1384150270.db2.gz XPDIVUFNJMMLHO-ROUUACIJSA-N 2 0 335.536 3.044 20 0 EGADRP [NH3+]Cc1ccc2c(n1)N(c1cc(C[NH+]3CCCCC3)ccn1)CCC2 ZINC001169583313 1384161907 /nfs/dbraw/zinc/16/19/07/1384161907.db2.gz BGPFZMIDMFXLCY-UHFFFAOYSA-N 2 0 337.471 3.006 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001169659337 1384170141 /nfs/dbraw/zinc/17/01/41/1384170141.db2.gz SNUYWPXLDZFZSV-FRQCXROJSA-N 2 0 339.524 3.131 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169669489 1384170959 /nfs/dbraw/zinc/17/09/59/1384170959.db2.gz PVYYODMMWOXVKG-KBAYOESNSA-N 2 0 337.508 3.122 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](CC)CC)CC2)CC1 ZINC001169679980 1384172804 /nfs/dbraw/zinc/17/28/04/1384172804.db2.gz VHHBBEQCOVFVDT-OKZBNKHCSA-N 2 0 339.524 3.240 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001169699300 1384174995 /nfs/dbraw/zinc/17/49/95/1384174995.db2.gz WZEOIMNZZRPTFY-SFHVURJKSA-N 2 0 347.466 3.261 20 0 EGADRP COc1cc2[nH+]ccc(-n3cc(CC[NH3+])c4ncccc43)c2cc1OC ZINC001169708716 1384176158 /nfs/dbraw/zinc/17/61/58/1384176158.db2.gz OETWPCZJLHEZFQ-UHFFFAOYSA-N 2 0 348.406 3.092 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001169798647 1384187348 /nfs/dbraw/zinc/18/73/48/1384187348.db2.gz PIZLMXLHTJRREN-YLJYHZDGSA-N 2 0 345.531 3.108 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001169809969 1384187581 /nfs/dbraw/zinc/18/75/81/1384187581.db2.gz MUXFAIVISQWAGA-YLJYHZDGSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169811109 1384187981 /nfs/dbraw/zinc/18/79/81/1384187981.db2.gz TYPWEJJCEHBWQA-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001169957893 1384204844 /nfs/dbraw/zinc/20/48/44/1384204844.db2.gz GIYXHHFEFCINPA-GOSISDBHSA-N 2 0 345.531 3.272 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001170092461 1384234971 /nfs/dbraw/zinc/23/49/71/1384234971.db2.gz OJRBYSVGRXXUPT-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001170110603 1384237380 /nfs/dbraw/zinc/23/73/80/1384237380.db2.gz ZGRMNXPXTRRBOD-JKSUJKDBSA-N 2 0 327.513 3.001 20 0 EGADRP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001170239357 1384273786 /nfs/dbraw/zinc/27/37/86/1384273786.db2.gz MKGJCBVVEZXZJV-XRXFAXGQSA-N 2 0 328.500 3.398 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001311927790 1384314574 /nfs/dbraw/zinc/31/45/74/1384314574.db2.gz BKGSXPKNLPMIGF-UHFFFAOYSA-N 2 0 340.556 3.062 20 0 EGADRP Nc1[nH]c2ccc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)cc2[nH+]1 ZINC001170753041 1384379237 /nfs/dbraw/zinc/37/92/37/1384379237.db2.gz YRQKYABITXQUBI-KRWDZBQOSA-N 2 0 335.455 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001170783904 1384384756 /nfs/dbraw/zinc/38/47/56/1384384756.db2.gz ATOQFOOUPUHUQU-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170820749 1384391150 /nfs/dbraw/zinc/39/11/50/1384391150.db2.gz VUCBLADZGDTWKF-RXVVDRJESA-N 2 0 347.547 3.242 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1CCCOCC1)CC2 ZINC001170821988 1384392355 /nfs/dbraw/zinc/39/23/55/1384392355.db2.gz QPCKGHIOTCXEQI-IBGZPJMESA-N 2 0 343.515 3.327 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001170863989 1384400795 /nfs/dbraw/zinc/40/07/95/1384400795.db2.gz ZLMASDXBMNCTFA-NLWGTHIKSA-N 2 0 345.531 3.100 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170868183 1384401555 /nfs/dbraw/zinc/40/15/55/1384401555.db2.gz QJZMLWYGQFINLM-LJQANCHMSA-N 2 0 333.520 3.212 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1c(Br)ccc(C(F)(F)F)c1F ZINC001170905768 1384408385 /nfs/dbraw/zinc/40/83/85/1384408385.db2.gz WECWXYODHIMFPP-QMMMGPOBSA-N 2 0 344.150 3.043 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cnc(C[NH3+])nc3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001171029698 1384432696 /nfs/dbraw/zinc/43/26/96/1384432696.db2.gz JFOYWWZRFAKFBW-UEFGCPDKSA-N 2 0 345.535 3.306 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248954 1384478851 /nfs/dbraw/zinc/47/88/51/1384478851.db2.gz ZHWSPRFNRKQZFU-LPHOPBHVSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001316611205 1384481300 /nfs/dbraw/zinc/48/13/00/1384481300.db2.gz OHKMZZFADSISAA-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001171366845 1384503353 /nfs/dbraw/zinc/50/33/53/1384503353.db2.gz FDRJGHCKKKTZHW-HKUYNNGSSA-N 2 0 333.520 3.037 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367897 1384504101 /nfs/dbraw/zinc/50/41/01/1384504101.db2.gz QAMHLDHMGNRPIB-NUQYTELCSA-N 2 0 325.541 3.194 20 0 EGADRP [NH3+]C[C@H]1COc2ccccc2N1c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001171401840 1384513271 /nfs/dbraw/zinc/51/32/71/1384513271.db2.gz YZULRYWNPWPIND-SFHVURJKSA-N 2 0 349.478 3.112 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171498315 1384542125 /nfs/dbraw/zinc/54/21/25/1384542125.db2.gz GSAZIYQIOZTPNC-CQSZACIVSA-N 2 0 326.406 3.283 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171498314 1384542510 /nfs/dbraw/zinc/54/25/10/1384542510.db2.gz GSAZIYQIOZTPNC-AWEZNQCLSA-N 2 0 326.406 3.283 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001171500228 1384543263 /nfs/dbraw/zinc/54/32/63/1384543263.db2.gz IWXBDFWZERFCSJ-PKOBYXMFSA-N 2 0 333.520 3.100 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171505858 1384545078 /nfs/dbraw/zinc/54/50/78/1384545078.db2.gz NHBMSJATEKUDJC-GXTWGEPZSA-N 2 0 326.406 3.283 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001171509022 1384545776 /nfs/dbraw/zinc/54/57/76/1384545776.db2.gz LQBQHNGZCIKAHU-WMLDXEAASA-N 2 0 339.549 3.161 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171586010 1384572238 /nfs/dbraw/zinc/57/22/38/1384572238.db2.gz HCGIBPCENNCUBO-KRWDZBQOSA-N 2 0 333.520 3.182 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001171587168 1384572964 /nfs/dbraw/zinc/57/29/64/1384572964.db2.gz ZHONYVPPLWEEBK-OAHLLOKOSA-N 2 0 339.549 3.243 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618896 1384581812 /nfs/dbraw/zinc/58/18/12/1384581812.db2.gz NNAUPUVQMIXDPC-ZWKOTPCHSA-N 2 0 348.535 3.219 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1(C)C ZINC001171625269 1384583904 /nfs/dbraw/zinc/58/39/04/1384583904.db2.gz FBTJUNDORVYGMY-UHFFFAOYSA-N 2 0 337.552 3.265 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2(Cc3ccccn3)CCOCC2)CC1(C)C ZINC001171626767 1384584154 /nfs/dbraw/zinc/58/41/54/1384584154.db2.gz BAEWWWVRJOGKGG-UHFFFAOYSA-N 2 0 345.531 3.414 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)Cc2ccc(F)cc2F)CC1(C)C ZINC001171628611 1384585193 /nfs/dbraw/zinc/58/51/93/1384585193.db2.gz CURRNNGXUNFJGL-HNNXBMFYSA-N 2 0 340.458 3.109 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001171673749 1384597607 /nfs/dbraw/zinc/59/76/07/1384597607.db2.gz FRRHBWYYVJKYEF-KRWDZBQOSA-N 2 0 341.515 3.019 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674659 1384598211 /nfs/dbraw/zinc/59/82/11/1384598211.db2.gz PZYHOMZOHGNOLA-GOSISDBHSA-N 2 0 347.547 3.380 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674618 1384598365 /nfs/dbraw/zinc/59/83/65/1384598365.db2.gz PEPVOPANIPVDNW-SHCNBLLESA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171725942 1384614651 /nfs/dbraw/zinc/61/46/51/1384614651.db2.gz QDXQLWRVJXLSKS-NQIIRXRSSA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)N([C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171766740 1384630440 /nfs/dbraw/zinc/63/04/40/1384630440.db2.gz HCBIOLSCOWQVEH-WIYYLYMNSA-N 2 0 329.532 3.454 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171870791 1384666519 /nfs/dbraw/zinc/66/65/19/1384666519.db2.gz UWZOLNIAPVTVTC-UYAOXDASSA-N 2 0 343.515 3.003 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001316883207 1384666935 /nfs/dbraw/zinc/66/69/35/1384666935.db2.gz WZOLHEYVHHFPIP-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](C)C1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171906833 1384677590 /nfs/dbraw/zinc/67/75/90/1384677590.db2.gz MLRJAAVPWALRRA-HXUWFJFHSA-N 2 0 343.515 3.097 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171924584 1384684101 /nfs/dbraw/zinc/68/41/01/1384684101.db2.gz PYHQOVJDQXDTBV-FXAWDEMLSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975034 1384701262 /nfs/dbraw/zinc/70/12/62/1384701262.db2.gz KIRZXYRYRSZVOR-SFHVURJKSA-N 2 0 345.531 3.324 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984687 1384704583 /nfs/dbraw/zinc/70/45/83/1384704583.db2.gz XOVSQJFKXYHPAP-HKUYNNGSSA-N 2 0 338.499 3.440 20 0 EGADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061593 1384715015 /nfs/dbraw/zinc/71/50/15/1384715015.db2.gz HQBBWLOAWFJWQN-XSDIEEQYSA-N 2 0 327.516 3.256 20 0 EGADRP O[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067196 1384717180 /nfs/dbraw/zinc/71/71/80/1384717180.db2.gz LGTDCWHWTRHQBX-SSSFQFABSA-N 2 0 328.500 3.465 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC001172071217 1384718325 /nfs/dbraw/zinc/71/83/25/1384718325.db2.gz DASOPOBSJHWIID-LRSLUSHPSA-N 2 0 339.527 3.352 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCCC3=O)cc1)C2 ZINC001172112108 1384729151 /nfs/dbraw/zinc/72/91/51/1384729151.db2.gz RPPHLJKAVOTTNR-FNLKRUPLSA-N 2 0 341.499 3.308 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccccc1F)C2 ZINC001172113919 1384731334 /nfs/dbraw/zinc/73/13/34/1384731334.db2.gz KWMHQNKLJSXBKE-BCDXTJNWSA-N 2 0 342.462 3.175 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001172118488 1384732453 /nfs/dbraw/zinc/73/24/53/1384732453.db2.gz QXHFSNFEUQTGNY-WCXIOVBPSA-N 2 0 339.524 3.141 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C1)C2 ZINC001172123925 1384734699 /nfs/dbraw/zinc/73/46/99/1384734699.db2.gz HQWJDOGIHCNNHL-VNXMGFANSA-N 2 0 339.527 3.208 20 0 EGADRP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC2)c2ccccc2[nH+]1 ZINC001172222165 1384751421 /nfs/dbraw/zinc/75/14/21/1384751421.db2.gz SUVOGHVZYMXJME-AYHJJNSGSA-N 2 0 337.467 3.375 20 0 EGADRP Fc1ccccc1C[NH+]1CCC(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234472 1384752830 /nfs/dbraw/zinc/75/28/30/1384752830.db2.gz CIVODVAPVCHCSU-YQQQUEKLSA-N 2 0 330.447 3.113 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001316996011 1384753220 /nfs/dbraw/zinc/75/32/20/1384753220.db2.gz UGDLFPQNNAVSFV-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172237434 1384753355 /nfs/dbraw/zinc/75/33/55/1384753355.db2.gz LTHKMUPCPKWDIW-DLZDZTESSA-N 2 0 342.483 3.442 20 0 EGADRP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001317004644 1384764939 /nfs/dbraw/zinc/76/49/39/1384764939.db2.gz BMUNVTSSDJUIRP-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001317008173 1384771553 /nfs/dbraw/zinc/77/15/53/1384771553.db2.gz UWDURGVMBKWLCA-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172337289 1384773425 /nfs/dbraw/zinc/77/34/25/1384773425.db2.gz PANGDHXFTXIYRG-ROUUACIJSA-N 2 0 333.520 3.477 20 0 EGADRP COc1ccccc1CC1([NH3+])CC[NH+]([C@H](C)CCOC(C)C)CC1 ZINC001172436993 1384791899 /nfs/dbraw/zinc/79/18/99/1384791899.db2.gz LGWQCVFPKPUCPB-QGZVFWFLSA-N 2 0 334.504 3.235 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172632866 1384823067 /nfs/dbraw/zinc/82/30/67/1384823067.db2.gz KCJPAIWMGKQJDS-APWZRJJASA-N 2 0 336.520 3.447 20 0 EGADRP CC1(C)CC([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)O1 ZINC001172653746 1384826600 /nfs/dbraw/zinc/82/66/00/1384826600.db2.gz QKTCSBRBJLPCKF-WKILWMFISA-N 2 0 338.536 3.474 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317065022 1384835102 /nfs/dbraw/zinc/83/51/02/1384835102.db2.gz OEZSUZTWKCPMEC-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001172767450 1384847668 /nfs/dbraw/zinc/84/76/68/1384847668.db2.gz GKELDNTUHVPFLC-QYZOEREBSA-N 2 0 332.488 3.391 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001172782912 1384851802 /nfs/dbraw/zinc/85/18/02/1384851802.db2.gz RQKWNBVOYRDRKG-RTBURBONSA-N 2 0 344.499 3.144 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001172794725 1384853718 /nfs/dbraw/zinc/85/37/18/1384853718.db2.gz GATMESQDFFATMT-AKHDSKFASA-N 2 0 336.520 3.447 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001172799645 1384854488 /nfs/dbraw/zinc/85/44/88/1384854488.db2.gz QCSBJFMNSQAHSW-SJORKVTESA-N 2 0 336.520 3.495 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172799960 1384854775 /nfs/dbraw/zinc/85/47/75/1384854775.db2.gz JPQSKZMIIWPTJT-OOKSDGMUSA-N 2 0 349.519 3.014 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172809948 1384857700 /nfs/dbraw/zinc/85/77/00/1384857700.db2.gz LUGICYDKMPSFNA-CUHOHZIGSA-N 2 0 349.519 3.155 20 0 EGADRP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001172953180 1384888704 /nfs/dbraw/zinc/88/87/04/1384888704.db2.gz ZGJNJHORCAKOGQ-JSXRDJHFSA-N 2 0 328.500 3.398 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001173101881 1384914640 /nfs/dbraw/zinc/91/46/40/1384914640.db2.gz OVGOULLEOTYWJC-QQFBHYJXSA-N 2 0 327.513 3.142 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC001173102766 1384914677 /nfs/dbraw/zinc/91/46/77/1384914677.db2.gz DRUQHPFZEGQIOW-UHFFFAOYSA-N 2 0 347.503 3.127 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCC(=O)Nc2ccc(F)cc2)CC1 ZINC001173103141 1384915606 /nfs/dbraw/zinc/91/56/06/1384915606.db2.gz HEODAACXZAUZBS-UHFFFAOYSA-N 2 0 335.467 3.397 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COC)C2)CC1 ZINC001173109459 1384916707 /nfs/dbraw/zinc/91/67/07/1384916707.db2.gz BNUGIINFKUWONV-TUNPWDSISA-N 2 0 338.536 3.157 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+](CC)CCNC(=O)OC(C)(C)C)CC1 ZINC001173113395 1384917586 /nfs/dbraw/zinc/91/75/86/1384917586.db2.gz PDRPQWZKBCLKFK-UHFFFAOYSA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3cc[nH+]c(C)c3)CC2)CC1 ZINC001173114115 1384917841 /nfs/dbraw/zinc/91/78/41/1384917841.db2.gz WPQYOFYFUXYFKB-UHFFFAOYSA-N 3 0 330.520 3.165 20 0 EGADRP c1nc2c(s1)C[C@@H]([NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC001173137902 1384921106 /nfs/dbraw/zinc/92/11/06/1384921106.db2.gz OHTIPPXGJZHIBD-KURKYZTESA-N 2 0 339.508 3.064 20 0 EGADRP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001173261038 1384946300 /nfs/dbraw/zinc/94/63/00/1384946300.db2.gz NSJALXCNTOONLW-VAMGGRTRSA-N 2 0 340.552 3.260 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C)[NH+](C)C ZINC001317179483 1384953948 /nfs/dbraw/zinc/95/39/48/1384953948.db2.gz SYLIUOAREGYVPQ-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H](C)CSCC)CC1 ZINC001173314942 1384956160 /nfs/dbraw/zinc/95/61/60/1384956160.db2.gz MTPKYIXZXQONPG-GOSISDBHSA-N 2 0 329.598 3.258 20 0 EGADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360163 1384964303 /nfs/dbraw/zinc/96/43/03/1384964303.db2.gz HVZOMDUPTDOIMC-RAUXBKROSA-N 2 0 347.572 3.375 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001173447539 1384972826 /nfs/dbraw/zinc/97/28/26/1384972826.db2.gz YHWXUHHKAMWZLX-QGZVFWFLSA-N 2 0 347.503 3.005 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001173453044 1384973617 /nfs/dbraw/zinc/97/36/17/1384973617.db2.gz XBZCQPCRBZCMGA-KRWDZBQOSA-N 2 0 336.520 3.449 20 0 EGADRP COC(=O)CCCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173455612 1384973968 /nfs/dbraw/zinc/97/39/68/1384973968.db2.gz RFNPPBCWIYRSDG-YSIASYRMSA-N 2 0 344.499 3.172 20 0 EGADRP COC(=O)CCCC[C@H](C)N(c1cc[nH+]cc1C)C1CC[NH2+]CC1 ZINC001173456653 1384974443 /nfs/dbraw/zinc/97/44/43/1384974443.db2.gz DQEFKTNPIOJICP-INIZCTEOSA-N 2 0 333.476 3.070 20 0 EGADRP Cc1ccccc1C[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317220538 1385000688 /nfs/dbraw/zinc/00/06/88/1385000688.db2.gz CJUYBXHQLXYJIW-SOAGJPPSSA-N 2 0 345.531 3.098 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC001173716857 1385008331 /nfs/dbraw/zinc/00/83/31/1385008331.db2.gz IHSMLXPEGTWLCM-MRXNPFEDSA-N 2 0 332.488 3.114 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC001173716859 1385008337 /nfs/dbraw/zinc/00/83/37/1385008337.db2.gz IIUKWNMMPRYXBO-MRXNPFEDSA-N 2 0 344.499 3.401 20 0 EGADRP Cc1c[nH+]ccc1Nc1cc(F)ccc1OCC1CC[NH+](C)CC1 ZINC001174538125 1385117611 /nfs/dbraw/zinc/11/76/11/1385117611.db2.gz BCVYMJLBKYNODY-UHFFFAOYSA-N 2 0 329.419 3.415 20 0 EGADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1cc[nH+]c(C)c1 ZINC001174660518 1385131529 /nfs/dbraw/zinc/13/15/29/1385131529.db2.gz OJWYKZJTUDEKTL-UHFFFAOYSA-N 2 0 340.471 3.095 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3c[nH+]ccc3N3CCCC3)cc2)CC1 ZINC001174812803 1385152704 /nfs/dbraw/zinc/15/27/04/1385152704.db2.gz AIZPTAIIDFMQTQ-UHFFFAOYSA-N 2 0 337.471 3.177 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@H+](C)CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317471749 1385166440 /nfs/dbraw/zinc/16/64/40/1385166440.db2.gz OMTSMHIRJXTHKZ-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174963006 1385175498 /nfs/dbraw/zinc/17/54/98/1385175498.db2.gz WUVULYAMLJTTFE-JTHGQSKGSA-N 2 0 325.541 3.339 20 0 EGADRP C[C@H](CCCC[NH2+][C@H]1CCc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001174962999 1385175647 /nfs/dbraw/zinc/17/56/47/1385175647.db2.gz WROWMRGCOAMONT-XLIONFOSSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@H](CCCC[NH2+]CC/C=C/c1ccccc1)NC(=O)CC[NH+](C)C ZINC001175049251 1385186562 /nfs/dbraw/zinc/18/65/62/1385186562.db2.gz RBXVXWDFJODJCI-XOVNIXPASA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001175106013 1385195714 /nfs/dbraw/zinc/19/57/14/1385195714.db2.gz CSGFWTMKNCNTEX-AZUAARDMSA-N 2 0 347.547 3.346 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001175115174 1385197464 /nfs/dbraw/zinc/19/74/64/1385197464.db2.gz MPIHXCSWIFHKHS-IEBWSBKVSA-N 2 0 339.568 3.418 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256954 1385231050 /nfs/dbraw/zinc/23/10/50/1385231050.db2.gz RCPUXKRQMDLXGT-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264782 1385234109 /nfs/dbraw/zinc/23/41/09/1385234109.db2.gz WCCYMXVNLCSFJQ-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC001317544718 1385289459 /nfs/dbraw/zinc/28/94/59/1385289459.db2.gz RDJWRORMBYUNOE-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175564677 1385333311 /nfs/dbraw/zinc/33/33/11/1385333311.db2.gz DHQQBJNDOKNSMJ-AITIYTRBSA-N 2 0 343.943 3.268 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581299 1385338601 /nfs/dbraw/zinc/33/86/01/1385338601.db2.gz JXRVEMXHQNEFQG-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175728934 1385386828 /nfs/dbraw/zinc/38/68/28/1385386828.db2.gz HOZYUEOJVOPMCX-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1)C(C)C ZINC001175747208 1385394843 /nfs/dbraw/zinc/39/48/43/1385394843.db2.gz OSAJFHFWYDJIHZ-IEBWSBKVSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001175785424 1385404908 /nfs/dbraw/zinc/40/49/08/1385404908.db2.gz AKCHNDKVVSDLBU-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001175786771 1385405721 /nfs/dbraw/zinc/40/57/21/1385405721.db2.gz PLAYZBOSHUONSF-FXAWDEMLSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873014 1385427194 /nfs/dbraw/zinc/42/71/94/1385427194.db2.gz JFBXQVWSXAICBM-SJLPKXTDSA-N 2 0 325.541 3.029 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176023407 1385463698 /nfs/dbraw/zinc/46/36/98/1385463698.db2.gz HNIJGMTYVQTVHB-BLGFXRMMSA-N 2 0 325.541 3.339 20 0 EGADRP c1c[nH+]c(Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)[nH]1 ZINC001176084900 1385479628 /nfs/dbraw/zinc/47/96/28/1385479628.db2.gz UGJBHEQHSCHFOZ-UHFFFAOYSA-N 2 0 333.439 3.476 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176110667 1385486497 /nfs/dbraw/zinc/48/64/97/1385486497.db2.gz AWHARVZUIHIGAB-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)c1ccccc1 ZINC001176120510 1385490234 /nfs/dbraw/zinc/49/02/34/1385490234.db2.gz RGHPIALKNHGUHE-FXAWDEMLSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165464 1385501260 /nfs/dbraw/zinc/50/12/60/1385501260.db2.gz MPNXPDLGJNIYLR-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176229972 1385519867 /nfs/dbraw/zinc/51/98/67/1385519867.db2.gz XNILWEDLWJUJFK-UHFFFAOYSA-N 2 0 328.391 3.466 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001176231740 1385521754 /nfs/dbraw/zinc/52/17/54/1385521754.db2.gz WQQBCLRLKIZQSW-IBGZPJMESA-N 2 0 347.547 3.492 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001176318178 1385549989 /nfs/dbraw/zinc/54/99/89/1385549989.db2.gz LLHSMPSGGHVZIP-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001176359486 1385563840 /nfs/dbraw/zinc/56/38/40/1385563840.db2.gz WFLOZWDHSSZVBU-HRSGFYEVSA-N 2 0 349.563 3.483 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001317991003 1385602891 /nfs/dbraw/zinc/60/28/91/1385602891.db2.gz BFNSEDSJYXRXNG-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC001318054293 1385618224 /nfs/dbraw/zinc/61/82/24/1385618224.db2.gz KVPQMWGXYDJHIK-FQEVSTJZSA-N 2 0 345.531 3.409 20 0 EGADRP c1nn(CC[NH+]2CCCC2)cc1Nc1c[nH+]ccc1N1CCCCC1 ZINC001176557739 1385625031 /nfs/dbraw/zinc/62/50/31/1385625031.db2.gz DOJOGSVZIPWDIL-UHFFFAOYSA-N 2 0 340.475 3.108 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001176563136 1385625623 /nfs/dbraw/zinc/62/56/23/1385625623.db2.gz BCTBPOLDHQMLFD-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176574042 1385629206 /nfs/dbraw/zinc/62/92/06/1385629206.db2.gz QILGJVHIEXLGSM-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629150 1385643384 /nfs/dbraw/zinc/64/33/84/1385643384.db2.gz SNFNEYUMTSMTTD-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1C ZINC001176754182 1385683986 /nfs/dbraw/zinc/68/39/86/1385683986.db2.gz SOTIRMGYKXJGPJ-IBGZPJMESA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176753686 1385684421 /nfs/dbraw/zinc/68/44/21/1385684421.db2.gz KOLONRNLRRCMTH-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176753954 1385684482 /nfs/dbraw/zinc/68/44/82/1385684482.db2.gz OROSAOCMCXVWEB-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001176759621 1385686746 /nfs/dbraw/zinc/68/67/46/1385686746.db2.gz LWYFGEVACWXTSD-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001318484738 1385718224 /nfs/dbraw/zinc/71/82/24/1385718224.db2.gz ZAUOTBYAYAILLN-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001176884544 1385731116 /nfs/dbraw/zinc/73/11/16/1385731116.db2.gz MHYMLEVYKKSSRJ-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001176986424 1385765006 /nfs/dbraw/zinc/76/50/06/1385765006.db2.gz NWBMDBZCSGXVNL-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001176992693 1385767119 /nfs/dbraw/zinc/76/71/19/1385767119.db2.gz XUFCPGATRBCMCM-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C[NH2+][C@@H](C)c2ccccc2C)CCCC1 ZINC001318662921 1385822358 /nfs/dbraw/zinc/82/23/58/1385822358.db2.gz CCUBDLACWLXPKW-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001318867647 1385865828 /nfs/dbraw/zinc/86/58/28/1385865828.db2.gz ZNYXWGFRMGZBMZ-HZPDHXFCSA-N 2 0 327.472 3.265 20 0 EGADRP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177266330 1385889425 /nfs/dbraw/zinc/88/94/25/1385889425.db2.gz DPAWZDFEHRIFNF-FBQMEGEOSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177266327 1385889998 /nfs/dbraw/zinc/88/99/98/1385889998.db2.gz DPAWZDFEHRIFNF-BBIZLLLXSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1C ZINC001698620107 1406257177 /nfs/dbraw/zinc/25/71/77/1406257177.db2.gz GDURNAFWYKUXOM-IEBWSBKVSA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1)[NH+](C)C ZINC001318975472 1385904042 /nfs/dbraw/zinc/90/40/42/1385904042.db2.gz IKAOQFYYYIDHCQ-KOQZAGCLSA-N 2 0 343.515 3.057 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001177317320 1385911952 /nfs/dbraw/zinc/91/19/52/1385911952.db2.gz UNGQFFBBLDXZRZ-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001177320034 1385912949 /nfs/dbraw/zinc/91/29/49/1385912949.db2.gz YVNLARGZAYQJOV-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CCc1c[nH]cn1)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177339912 1385920568 /nfs/dbraw/zinc/92/05/68/1385920568.db2.gz UORVMDTZHZWOEA-UHFFFAOYSA-N 2 0 346.519 3.141 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]C[C@@H](C)CC)CC1CCCC1)[NH+](C)C ZINC001177349129 1385924551 /nfs/dbraw/zinc/92/45/51/1385924551.db2.gz YXVSQRSPCMFJLE-PKOBYXMFSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@@H](C(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1)[NH+](C)C ZINC001177419579 1385949760 /nfs/dbraw/zinc/94/97/60/1385949760.db2.gz CRVLPQIIZPXMCF-IBGZPJMESA-N 2 0 339.568 3.371 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCCC[NH+](C)C ZINC001177467165 1385967209 /nfs/dbraw/zinc/96/72/09/1385967209.db2.gz SUZIQKCDPQMCST-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CCC ZINC001177467188 1385967568 /nfs/dbraw/zinc/96/75/68/1385967568.db2.gz UYGOGLLKBRBFDP-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177467243 1385967631 /nfs/dbraw/zinc/96/76/31/1385967631.db2.gz XTUNKLXOKWGDLE-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CN(C)c1cc[nH+]cc1CNC1CC[NH+](CC2CCCCC2)CC1 ZINC001177581220 1386000420 /nfs/dbraw/zinc/00/04/20/1386000420.db2.gz KXFDUUPQPOOEPT-UHFFFAOYSA-N 2 0 330.520 3.282 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001319390225 1386099959 /nfs/dbraw/zinc/09/99/59/1386099959.db2.gz XGIVDMRIHUJWPN-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H](CCc1ccco1)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319393088 1386101080 /nfs/dbraw/zinc/10/10/80/1386101080.db2.gz JKWFAAOXKDMETP-KRWDZBQOSA-N 2 0 327.472 3.142 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001319393068 1386101097 /nfs/dbraw/zinc/10/10/97/1386101097.db2.gz IYFSCCKVEXIOIP-INIZCTEOSA-N 2 0 327.447 3.428 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001319588902 1386192233 /nfs/dbraw/zinc/19/22/33/1386192233.db2.gz GDKWDBAJQBGJLB-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001178522730 1386241123 /nfs/dbraw/zinc/24/11/23/1386241123.db2.gz PCYPQSZLZTXGGN-QWFCFKBJSA-N 2 0 345.531 3.354 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC001178527436 1386242070 /nfs/dbraw/zinc/24/20/70/1386242070.db2.gz LPZRYOBFUBOGNU-ZWKOTPCHSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001178693461 1386279959 /nfs/dbraw/zinc/27/99/59/1386279959.db2.gz SGBYFZNRBPXPFS-GOSISDBHSA-N 2 0 345.531 3.498 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001178727105 1386291243 /nfs/dbraw/zinc/29/12/43/1386291243.db2.gz CGRSTBOEJZMQBX-OXQOHEQNSA-N 2 0 337.467 3.113 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178811412 1386313855 /nfs/dbraw/zinc/31/38/55/1386313855.db2.gz UYBQOKDTZPVHGA-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178920640 1386349601 /nfs/dbraw/zinc/34/96/01/1386349601.db2.gz CCYOJXXWFVCMJU-ZWKOTPCHSA-N 2 0 343.531 3.121 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179134684 1386407353 /nfs/dbraw/zinc/40/73/53/1386407353.db2.gz QSQYMPHDZQMQTF-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001179134178 1386407425 /nfs/dbraw/zinc/40/74/25/1386407425.db2.gz HFYYPBOBFVFBJX-QLOJAFMTSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCCCCC[NH2+]C/C=C\Cl)CCCC1 ZINC001179138938 1386408806 /nfs/dbraw/zinc/40/88/06/1386408806.db2.gz FFDSBOMQJSVCAW-XFXZXTDPSA-N 2 0 343.943 3.270 20 0 EGADRP CN(CC[N@H+](C)CCC1CCCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001320016106 1386453237 /nfs/dbraw/zinc/45/32/37/1386453237.db2.gz HVRTYPYQKRHOIO-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC1CCC(C[NH2+]CCCCCCNC(=O)CC[NH+](C)C)CC1 ZINC001179461351 1386487262 /nfs/dbraw/zinc/48/72/62/1386487262.db2.gz HPENHWXSTCURIK-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461710 1386488127 /nfs/dbraw/zinc/48/81/27/1386488127.db2.gz XXXUJBFTZUAFAI-WAYWQWQTSA-N 2 0 337.552 3.341 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C)[NH+](CC)CC ZINC001179516758 1386503994 /nfs/dbraw/zinc/50/39/94/1386503994.db2.gz JGXFHBWGTSPKIB-WDSOQIARSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001179564920 1386516045 /nfs/dbraw/zinc/51/60/45/1386516045.db2.gz KAXLRPWALLRFDH-QZTJIDSGSA-N 2 0 327.557 3.419 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001179609485 1386531333 /nfs/dbraw/zinc/53/13/33/1386531333.db2.gz RNRLGUQILPXOFL-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)[C@@H]1C ZINC001179978506 1386656582 /nfs/dbraw/zinc/65/65/82/1386656582.db2.gz DHZOLSJAGVBVCP-AOIWGVFYSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001179989493 1386660090 /nfs/dbraw/zinc/66/00/90/1386660090.db2.gz ZZTIWEPIIUGIFS-GOSISDBHSA-N 2 0 327.557 3.277 20 0 EGADRP C[C@H]1CCCC[C@]1(C[NH2+]Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001698662842 1406313855 /nfs/dbraw/zinc/31/38/55/1406313855.db2.gz NLKDAHCPABDDJJ-GHTZIAJQSA-N 2 0 345.531 3.183 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001320709734 1386698262 /nfs/dbraw/zinc/69/82/62/1386698262.db2.gz XELKOWUZFYPCAV-QZTJIDSGSA-N 2 0 332.488 3.076 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCCCCF ZINC001180117836 1386701385 /nfs/dbraw/zinc/70/13/85/1386701385.db2.gz GYVAJJFUAGJQFO-UHFFFAOYSA-N 2 0 331.520 3.124 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320758095 1386710174 /nfs/dbraw/zinc/71/01/74/1386710174.db2.gz BCVQMPZOUGJYDP-HKUYNNGSSA-N 2 0 333.520 3.080 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180204265 1386732063 /nfs/dbraw/zinc/73/20/63/1386732063.db2.gz MOUGRIUNGHHABD-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180260136 1386749201 /nfs/dbraw/zinc/74/92/01/1386749201.db2.gz UMRDYSZVMNMVQB-LJQANCHMSA-N 2 0 345.531 3.021 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001180274402 1386751937 /nfs/dbraw/zinc/75/19/37/1386751937.db2.gz BRLLLAOFSPFJNH-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369428 1386776289 /nfs/dbraw/zinc/77/62/89/1386776289.db2.gz FLUVNXSZCAPNPQ-UHFFFAOYSA-N 2 0 347.547 3.410 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180372891 1386777698 /nfs/dbraw/zinc/77/76/98/1386777698.db2.gz LOEDZLQDLPTVIT-QZTJIDSGSA-N 2 0 343.531 3.121 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180372656 1386777967 /nfs/dbraw/zinc/77/79/67/1386777967.db2.gz GAIQHOXGGTWWMI-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001180809599 1386878044 /nfs/dbraw/zinc/87/80/44/1386878044.db2.gz GQSOJODMJUFZOP-XHSDSOJGSA-N 2 0 346.462 3.208 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001321549299 1386927737 /nfs/dbraw/zinc/92/77/37/1386927737.db2.gz DVMLWLJVIDURAO-UZLBHIALSA-N 2 0 341.499 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc2ccccc2c1)[NH+](C)C ZINC001321637528 1386946415 /nfs/dbraw/zinc/94/64/15/1386946415.db2.gz PKFMZZRTLVKICH-OXQOHEQNSA-N 2 0 341.499 3.020 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1cccc(N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC001181717196 1387044253 /nfs/dbraw/zinc/04/42/53/1387044253.db2.gz CWXFEQYYJIDWNZ-LJQANCHMSA-N 2 0 347.503 3.081 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC1=CCCCC1 ZINC001181930498 1387078868 /nfs/dbraw/zinc/07/88/68/1387078868.db2.gz AKRYLFBPNLGHCX-SLYNCCJLSA-N 2 0 347.547 3.045 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3CC[N@@H+](C(C)C)C3)CC2)CC1 ZINC001181975463 1387085554 /nfs/dbraw/zinc/08/55/54/1387085554.db2.gz DRRQVAVJWVKZJU-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001322308733 1387154178 /nfs/dbraw/zinc/15/41/78/1387154178.db2.gz ZGBUSZZKVHDCIA-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@]2(C)CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001182485411 1387174728 /nfs/dbraw/zinc/17/47/28/1387174728.db2.gz AMVSEAWJOWLRLL-DBXWQHBBSA-N 2 0 345.531 3.082 20 0 EGADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CCCC1CCCC1 ZINC001329590847 1389169880 /nfs/dbraw/zinc/16/98/80/1389169880.db2.gz ZAKAESHPWGLUAQ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001329612550 1389184204 /nfs/dbraw/zinc/18/42/04/1389184204.db2.gz NDFZJYBZCTULDN-ZVDOUQERSA-N 2 0 343.515 3.005 20 0 EGADRP CN(C)c1c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc(F)c1F ZINC001336887612 1389197020 /nfs/dbraw/zinc/19/70/20/1389197020.db2.gz DHYJRULCQJIGMX-BPUTZDHNSA-N 2 0 337.458 3.193 20 0 EGADRP CC(C)(C(=O)NCCC1CC[NH+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001698722381 1406369022 /nfs/dbraw/zinc/36/90/22/1406369022.db2.gz ZYOVTIFWNMOKLI-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1n[nH]c(C)c1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001330341803 1389393312 /nfs/dbraw/zinc/39/33/12/1389393312.db2.gz CIFIODJYVZCHHR-UHFFFAOYSA-N 2 0 326.488 3.418 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001330515942 1389441861 /nfs/dbraw/zinc/44/18/61/1389441861.db2.gz UPRGPZWEHJGQSV-IBGZPJMESA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001331028280 1389601510 /nfs/dbraw/zinc/60/15/10/1389601510.db2.gz DVCSXZUWPJBAKR-KRWDZBQOSA-N 2 0 337.552 3.076 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC001332772730 1390185119 /nfs/dbraw/zinc/18/51/19/1390185119.db2.gz ZRALNCRMWZWSMZ-DAWZGUTISA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001340138376 1390234620 /nfs/dbraw/zinc/23/46/20/1390234620.db2.gz GJQFNIWEHJQRND-GUTXKFCHSA-N 2 0 338.521 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001333115839 1390251135 /nfs/dbraw/zinc/25/11/35/1390251135.db2.gz DQZKFXZDXYMUKC-CTWPCTMYSA-N 2 0 337.552 3.122 20 0 EGADRP [NH3+]CC[C@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c2ccccc21 ZINC001341525587 1390497793 /nfs/dbraw/zinc/49/77/93/1390497793.db2.gz MCAJRHDVDOKPAA-MSOLQXFVSA-N 2 0 349.478 3.158 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])C(C)(C)C)c1ccsc1 ZINC001341555956 1390501897 /nfs/dbraw/zinc/50/18/97/1390501897.db2.gz QFTUYOIDEOLCAN-HUUCEWRRSA-N 2 0 325.522 3.011 20 0 EGADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001341605314 1390508742 /nfs/dbraw/zinc/50/87/42/1390508742.db2.gz MIOBUIABUPBVEX-TXPKVOOTSA-N 2 0 331.504 3.092 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001334356275 1390523915 /nfs/dbraw/zinc/52/39/15/1390523915.db2.gz KTISPBVMORFCCA-OFQRWUPVSA-N 2 0 336.451 3.005 20 0 EGADRP CCCN(C(=O)[C@@H]([NH3+])CC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001342915144 1390672036 /nfs/dbraw/zinc/67/20/36/1390672036.db2.gz PRLYNZFMAFMGFU-FQEVSTJZSA-N 2 0 343.515 3.017 20 0 EGADRP C[NH2+]C1(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CCC1 ZINC001343395950 1390711028 /nfs/dbraw/zinc/71/10/28/1390711028.db2.gz WIAMWUJEFJHHSI-UHFFFAOYSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)c1cn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(=S)n1C ZINC001345107531 1390837864 /nfs/dbraw/zinc/83/78/64/1390837864.db2.gz BBZGPXPBOOUXBE-HRCADAONSA-N 2 0 336.549 3.299 20 0 EGADRP CN(C(=O)CC[NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC001346136844 1390910404 /nfs/dbraw/zinc/91/04/04/1390910404.db2.gz RDMAHQMDBFHHIM-UHFFFAOYSA-N 2 0 343.515 3.284 20 0 EGADRP Fc1ccc(OCC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001349389196 1391326444 /nfs/dbraw/zinc/32/64/44/1391326444.db2.gz JFFXESMJTGMOAM-UHFFFAOYSA-N 2 0 326.843 3.324 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001349896449 1391382537 /nfs/dbraw/zinc/38/25/37/1391382537.db2.gz HHCZOUXBEDTKEG-OAQYLSRUSA-N 2 0 349.478 3.326 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[NH2+]C(C)(C)C ZINC001350349879 1391451645 /nfs/dbraw/zinc/45/16/45/1391451645.db2.gz ZLNQATXTBYWSJO-KRWDZBQOSA-N 2 0 345.531 3.455 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001479315199 1392212201 /nfs/dbraw/zinc/21/22/01/1392212201.db2.gz QKBXHJWNFLKKJD-CADBVGFASA-N 2 0 349.563 3.029 20 0 EGADRP CCc1ccc(C[NH+]2CCC(N(C)C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001479891295 1392461565 /nfs/dbraw/zinc/46/15/65/1392461565.db2.gz MYFCXBOMUGRUNC-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001480263416 1392647986 /nfs/dbraw/zinc/64/79/86/1392647986.db2.gz OAANVIKKTXNIGV-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CC3CCC3)C2)CCCCC1 ZINC001480289677 1392661329 /nfs/dbraw/zinc/66/13/29/1392661329.db2.gz HQZDCAQWVDEGDG-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001480349006 1392699088 /nfs/dbraw/zinc/69/90/88/1392699088.db2.gz BWIHZIAVKRGAKY-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480526468 1392779485 /nfs/dbraw/zinc/77/94/85/1392779485.db2.gz JTVVWWZLXOFZEZ-IAGOWNOFSA-N 2 0 347.547 3.481 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C\Cl)C2)cc1 ZINC001480706035 1392868639 /nfs/dbraw/zinc/86/86/39/1392868639.db2.gz YGGDHKUAVMDTRP-PMLHVVFWSA-N 2 0 349.906 3.131 20 0 EGADRP C[N@H+](CCCC1CCC1)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001480873641 1392993531 /nfs/dbraw/zinc/99/35/31/1392993531.db2.gz INAAMCWUDYUGNI-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001480901437 1393007488 /nfs/dbraw/zinc/00/74/88/1393007488.db2.gz PGTMNMVBHZYHCS-XLIONFOSSA-N 2 0 345.531 3.403 20 0 EGADRP CC[N@@H+](C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001481019527 1393095877 /nfs/dbraw/zinc/09/58/77/1393095877.db2.gz WFELMLDXFGTCEZ-IMTHGLKYSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001481118842 1393124714 /nfs/dbraw/zinc/12/47/14/1393124714.db2.gz NEFQIEHCKBIRFP-PXNSSMCTSA-N 2 0 345.531 3.088 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001481273280 1393156301 /nfs/dbraw/zinc/15/63/01/1393156301.db2.gz QQOBYFHFVHQGFV-QGZVFWFLSA-N 2 0 345.531 3.261 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001490456695 1394233730 /nfs/dbraw/zinc/23/37/30/1394233730.db2.gz RFCWMRWHAJRROM-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001490666936 1394290873 /nfs/dbraw/zinc/29/08/73/1394290873.db2.gz BXMNSMCHCNJYNO-QFBILLFUSA-N 2 0 343.515 3.025 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481526636 1394378623 /nfs/dbraw/zinc/37/86/23/1394378623.db2.gz SHLYTCGCBWRDHZ-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001482026100 1394683837 /nfs/dbraw/zinc/68/38/37/1394683837.db2.gz QMUCRHYQEFSYAO-WGSAOQKQSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001482172999 1394786702 /nfs/dbraw/zinc/78/67/02/1394786702.db2.gz DCDZQKCDKWUBDK-OXJNMPFZSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001482356450 1394919336 /nfs/dbraw/zinc/91/93/36/1394919336.db2.gz NSOMWAWGQADLEU-YLJYHZDGSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC001698970400 1406732869 /nfs/dbraw/zinc/73/28/69/1406732869.db2.gz IHDULZQGGSSUEY-YLJYHZDGSA-N 2 0 345.531 3.210 20 0 EGADRP CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001482470812 1395025814 /nfs/dbraw/zinc/02/58/14/1395025814.db2.gz SUKSSJRIMVDDNJ-LSDHHAIUSA-N 2 0 337.533 3.050 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001483913101 1395141852 /nfs/dbraw/zinc/14/18/52/1395141852.db2.gz SMKHKPUCZYATJE-FUHWJXTLSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001485040714 1395646823 /nfs/dbraw/zinc/64/68/23/1395646823.db2.gz YTOCGXUWIRXDFN-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[C@@H](C[NH2+]CC1CCC1)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001485465189 1395939317 /nfs/dbraw/zinc/93/93/17/1395939317.db2.gz HTVQQLFPUHHYHY-KRWDZBQOSA-N 2 0 342.487 3.321 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001485763938 1396139481 /nfs/dbraw/zinc/13/94/81/1396139481.db2.gz XXTXSVXURULCLA-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](C(=O)NCC1C[NH+]([C@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001494593210 1396480627 /nfs/dbraw/zinc/48/06/27/1396480627.db2.gz PQZFFQKDNBMIME-DNVCBOLYSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001699008411 1406834277 /nfs/dbraw/zinc/83/42/77/1406834277.db2.gz IVOZULYAMQBNQA-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001497864666 1396863188 /nfs/dbraw/zinc/86/31/88/1396863188.db2.gz LNHJCTFIINGWMS-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1cccc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001498368522 1396977307 /nfs/dbraw/zinc/97/73/07/1396977307.db2.gz DKXDXBIGVTYCPJ-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001731999798 1428209781 /nfs/dbraw/zinc/20/97/81/1428209781.db2.gz PYJXNZZHHXLGHZ-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001690824312 1404760415 /nfs/dbraw/zinc/76/04/15/1404760415.db2.gz AQPVUGLZQGGWSZ-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001690825041 1404762194 /nfs/dbraw/zinc/76/21/94/1404762194.db2.gz QCNNSGAAOKGWCV-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001690978626 1404888563 /nfs/dbraw/zinc/88/85/63/1404888563.db2.gz YDTNGDINSYSYEQ-ROUUACIJSA-N 2 0 345.531 3.261 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001690996763 1404914090 /nfs/dbraw/zinc/91/40/90/1404914090.db2.gz SPFBKRSVQOPNDJ-LJQANCHMSA-N 2 0 345.531 3.370 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1)[NH+]1CCCCC1 ZINC001691079113 1405013689 /nfs/dbraw/zinc/01/36/89/1405013689.db2.gz HQONPKPZHVOTRL-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CC1CC(C)C1 ZINC001691194527 1405133953 /nfs/dbraw/zinc/13/39/53/1405133953.db2.gz YOOPBUAWYHORON-CTWPCTMYSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001731857247 1428091730 /nfs/dbraw/zinc/09/17/30/1428091730.db2.gz JZPMVPYOXORWNW-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001692335664 1405956659 /nfs/dbraw/zinc/95/66/59/1405956659.db2.gz SIVBMSDHSFUMOY-QGZVFWFLSA-N 2 0 345.531 3.082 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698584144 1406198602 /nfs/dbraw/zinc/19/86/02/1406198602.db2.gz LHSCCWVKDYUDCX-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)(C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)[NH+]1CCCCC1 ZINC001732018642 1428235230 /nfs/dbraw/zinc/23/52/30/1428235230.db2.gz BMGAVSAXJPDYRW-IBGZPJMESA-N 2 0 343.515 3.108 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001732165012 1428407145 /nfs/dbraw/zinc/40/71/45/1428407145.db2.gz JBXKBTFCAYKPAF-WOJBJXKFSA-N 2 0 343.515 3.155 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001699684271 1413080264 /nfs/dbraw/zinc/08/02/64/1413080264.db2.gz YGIBAGYEVOZYSB-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700177763 1413587412 /nfs/dbraw/zinc/58/74/12/1413587412.db2.gz SRIXYPNHEQFQCE-HKUYNNGSSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001700190677 1413618896 /nfs/dbraw/zinc/61/88/96/1413618896.db2.gz HTKZUEWFFNZCKM-KRWDZBQOSA-N 2 0 331.504 3.012 20 0 EGADRP C[NH+](CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CC1)C1CCCCC1 ZINC001700355554 1413855443 /nfs/dbraw/zinc/85/54/43/1413855443.db2.gz JPXRAKMQUZYIGH-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001700365493 1413887969 /nfs/dbraw/zinc/88/79/69/1413887969.db2.gz POFWKMIXCSZUIG-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001700638003 1414304902 /nfs/dbraw/zinc/30/49/02/1414304902.db2.gz HKJVVLFWPYXTHW-AXUOBQJMSA-N 2 0 349.494 3.101 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700755060 1414425681 /nfs/dbraw/zinc/42/56/81/1414425681.db2.gz FXAOKRLFYKIUKH-XLIONFOSSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCCCCC2)CC1 ZINC001733018752 1429137402 /nfs/dbraw/zinc/13/74/02/1429137402.db2.gz RDGLMDVZFLFAOV-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C[C@H]1C)CC[NH+](CC(C)C)CC2 ZINC001707123536 1417210677 /nfs/dbraw/zinc/21/06/77/1417210677.db2.gz FQQDRBSOVRGKAD-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CCCC(C)(C)C)C1 ZINC001713135307 1417715026 /nfs/dbraw/zinc/71/50/26/1417715026.db2.gz GXOSPGWCLRMNCQ-SFHVURJKSA-N 2 0 339.568 3.325 20 0 EGADRP C[C@@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)c1ccccc1F ZINC001713289049 1417916730 /nfs/dbraw/zinc/91/67/30/1417916730.db2.gz NADDFRFSWGDAFV-KLAILNCOSA-N 2 0 349.494 3.246 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001713293318 1417920702 /nfs/dbraw/zinc/92/07/02/1417920702.db2.gz VVWOTOMUVRHAAY-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCCCCC1 ZINC001713417099 1418040615 /nfs/dbraw/zinc/04/06/15/1418040615.db2.gz FOZTVNYFSFGLOJ-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](CC)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001713496258 1418205398 /nfs/dbraw/zinc/20/53/98/1418205398.db2.gz OGRHNVDSDCXWJW-YOEHRIQHSA-N 2 0 339.911 3.179 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCCC2)CC1 ZINC001713515631 1418250710 /nfs/dbraw/zinc/25/07/10/1418250710.db2.gz YGNWMSQFFQLLDU-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CCC1 ZINC001713530638 1418278601 /nfs/dbraw/zinc/27/86/01/1418278601.db2.gz JPGYIVSTIPMUPM-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+][C@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001713678631 1418430205 /nfs/dbraw/zinc/43/02/05/1418430205.db2.gz YUPCLRVFRYFCGS-CQSZACIVSA-N 2 0 337.533 3.050 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[C@H](C)C1 ZINC001713711230 1418470570 /nfs/dbraw/zinc/47/05/70/1418470570.db2.gz DVAVVLARVKLIHJ-ZGXWSNOMSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001713711194 1418470843 /nfs/dbraw/zinc/47/08/43/1418470843.db2.gz YYMCTPMQCWKJNK-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP CC[N@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001713762498 1418573278 /nfs/dbraw/zinc/57/32/78/1418573278.db2.gz PFQCJRCQCIBQHI-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCC)CC1 ZINC001713857636 1418654369 /nfs/dbraw/zinc/65/43/69/1418654369.db2.gz CDTLYLPZWUUZJC-GOSISDBHSA-N 2 0 337.552 3.364 20 0 EGADRP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001714044719 1418838158 /nfs/dbraw/zinc/83/81/58/1418838158.db2.gz BNKOPNSBXIPJCF-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001714135451 1418938690 /nfs/dbraw/zinc/93/86/90/1418938690.db2.gz NVSVFANLGINTAC-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1 ZINC001714140112 1418942622 /nfs/dbraw/zinc/94/26/22/1418942622.db2.gz XFANZKJSOWAZST-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@](C)(C[NH2+]CC2CCC2)C2CC2)CCCCC1 ZINC001714167979 1418976589 /nfs/dbraw/zinc/97/65/89/1418976589.db2.gz CTRAABFEPUDJKY-HXUWFJFHSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714289451 1419068243 /nfs/dbraw/zinc/06/82/43/1419068243.db2.gz KDMTVXKOTWNHBU-DLBZAZTESA-N 2 0 347.547 3.481 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1 ZINC001714307053 1419086700 /nfs/dbraw/zinc/08/67/00/1419086700.db2.gz QIFDNXJWQBVDBR-RJBLSKMOSA-N 2 0 343.515 3.059 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001714307376 1419087361 /nfs/dbraw/zinc/08/73/61/1419087361.db2.gz GEDKGEHLPHAYOL-UFYCRDLUSA-N 2 0 345.531 3.324 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001714310930 1419091221 /nfs/dbraw/zinc/09/12/21/1419091221.db2.gz VWOMHRYARDUAHE-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001714454770 1419187452 /nfs/dbraw/zinc/18/74/52/1419187452.db2.gz UYUYWBXRYCPEOZ-SJORKVTESA-N 2 0 349.494 3.105 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001714495204 1419219054 /nfs/dbraw/zinc/21/90/54/1419219054.db2.gz FTGWPXPMEIYBQL-CTWPCTMYSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@H](C)c2ccccc2C)CCCC1 ZINC001714509310 1419236627 /nfs/dbraw/zinc/23/66/27/1419236627.db2.gz HTJJODSQWJBNDF-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccc(F)cc1 ZINC001714584915 1419326526 /nfs/dbraw/zinc/32/65/26/1419326526.db2.gz SAASWIBNQRCIIH-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](CC)c1ccc(F)cc1 ZINC001714645393 1419420163 /nfs/dbraw/zinc/42/01/63/1419420163.db2.gz NMWIXRHXCIKKCW-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1F ZINC001714796826 1419513002 /nfs/dbraw/zinc/51/30/02/1419513002.db2.gz ASHRVECFUHWJBB-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714822377 1419532925 /nfs/dbraw/zinc/53/29/25/1419532925.db2.gz ZAOLVKZKKWXKQL-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(NCC[C@@H]1CC[N@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001714868199 1419596167 /nfs/dbraw/zinc/59/61/67/1419596167.db2.gz OOSHZVMSHLOWEO-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001714879901 1419615407 /nfs/dbraw/zinc/61/54/07/1419615407.db2.gz KCLIYWSEIPBNRF-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714900741 1419641892 /nfs/dbraw/zinc/64/18/92/1419641892.db2.gz VPAQIPIPJZALOT-IRXDYDNUSA-N 2 0 349.494 3.009 20 0 EGADRP CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1)[NH+](CC)CC ZINC001714977679 1419712186 /nfs/dbraw/zinc/71/21/86/1419712186.db2.gz XGGGLODZSOJKCM-FXAWDEMLSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1ccccc1F ZINC001715082461 1419819347 /nfs/dbraw/zinc/81/93/47/1419819347.db2.gz IWLPVWAAFLLKJF-IRXDYDNUSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1ccccc1F ZINC001715082458 1419819641 /nfs/dbraw/zinc/81/96/41/1419819641.db2.gz IWLPVWAAFLLKJF-IAGOWNOFSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001715178224 1419913317 /nfs/dbraw/zinc/91/33/17/1419913317.db2.gz ABCPGPHHHIRQHJ-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC3CCCCCC3)CCCC2)CCC1 ZINC001715303347 1420011487 /nfs/dbraw/zinc/01/14/87/1420011487.db2.gz KAGJRTFIJYTBML-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CCCC1 ZINC001715307241 1420016012 /nfs/dbraw/zinc/01/60/12/1420016012.db2.gz GBTXEYDABHTEBB-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)CC1CCC1 ZINC001715499171 1420181415 /nfs/dbraw/zinc/18/14/15/1420181415.db2.gz SMTBFGXGQKERLH-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001715568537 1420257660 /nfs/dbraw/zinc/25/76/60/1420257660.db2.gz XZDBZVYIBCGJJT-UXHICEINSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C)cc1C ZINC001715715839 1420308316 /nfs/dbraw/zinc/30/83/16/1420308316.db2.gz WNLRVPXAJLTOPK-PMACEKPBSA-N 2 0 347.547 3.120 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001715951006 1420417890 /nfs/dbraw/zinc/41/78/90/1420417890.db2.gz ZNESCOHFYDKUPB-QINHECLXSA-N 2 0 341.499 3.335 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CCC[NH+](C)C)c1 ZINC001716068323 1420525825 /nfs/dbraw/zinc/52/58/25/1420525825.db2.gz YTMUKIKEVOOVSL-WOJBJXKFSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CCCCCC1 ZINC001716713219 1420866076 /nfs/dbraw/zinc/86/60/76/1420866076.db2.gz DSQLFDMCAQVNHU-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001716714718 1420869884 /nfs/dbraw/zinc/86/98/84/1420869884.db2.gz WCHYQABDTYKQSR-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001716726534 1420885358 /nfs/dbraw/zinc/88/53/58/1420885358.db2.gz ODVJFSPGHDHXPY-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001733277462 1429443837 /nfs/dbraw/zinc/44/38/37/1429443837.db2.gz TYSFLMNHDSDDBO-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001716788560 1420923419 /nfs/dbraw/zinc/92/34/19/1420923419.db2.gz MFBZFAAUXONCNN-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001717368450 1421304513 /nfs/dbraw/zinc/30/45/13/1421304513.db2.gz CKBGSKMKWXCEGM-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCCC1 ZINC001717374641 1421316127 /nfs/dbraw/zinc/31/61/27/1421316127.db2.gz VJQPVYMCXIRLIP-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC001733296674 1429479588 /nfs/dbraw/zinc/47/95/88/1429479588.db2.gz JDNRBNGGLJOKMS-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001717859820 1421671814 /nfs/dbraw/zinc/67/18/14/1421671814.db2.gz FOJDHQIIDPJLFP-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001717998886 1421766234 /nfs/dbraw/zinc/76/62/34/1421766234.db2.gz KJTFPRVZSBHULS-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001733440125 1429647299 /nfs/dbraw/zinc/64/72/99/1429647299.db2.gz CDSXJJJEJHPUCT-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001733457680 1429677720 /nfs/dbraw/zinc/67/77/20/1429677720.db2.gz AETSLGPFFGREQL-FQEVSTJZSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001733464024 1429693886 /nfs/dbraw/zinc/69/38/86/1429693886.db2.gz SSFKZGNBKSRLFY-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723483892 1424435885 /nfs/dbraw/zinc/43/58/85/1424435885.db2.gz KZDMLWPMWQUKPX-RBUKOAKNSA-N 2 0 343.515 3.123 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001723577098 1424471077 /nfs/dbraw/zinc/47/10/77/1424471077.db2.gz IIWMSHNWKBUHFM-QGZVFWFLSA-N 2 0 337.552 3.027 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH2+]CC3CCCCC3)CC2)c1 ZINC001723595775 1424482470 /nfs/dbraw/zinc/48/24/70/1424482470.db2.gz VJBPMORUWWVTLZ-UHFFFAOYSA-N 2 0 343.515 3.181 20 0 EGADRP CC1CC(C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C)C2CCCCCC2)C1 ZINC001723639031 1424501774 /nfs/dbraw/zinc/50/17/74/1424501774.db2.gz DAKQKWYGEXDQMK-AFMYVXGZSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC1(C)CC[NH+]([C@@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001724006319 1424625736 /nfs/dbraw/zinc/62/57/36/1424625736.db2.gz TWFMDPBRUSBPGD-PKOBYXMFSA-N 2 0 345.531 3.367 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001724183720 1424717771 /nfs/dbraw/zinc/71/77/71/1424717771.db2.gz LBLORVFBYXCGQD-ICSRJNTNSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@]2(C)CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001724240649 1424751070 /nfs/dbraw/zinc/75/10/70/1424751070.db2.gz XIKLITOCUCHTCX-RXVVDRJESA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C)C1CCC1 ZINC001725044741 1425473461 /nfs/dbraw/zinc/47/34/61/1425473461.db2.gz ZDKJYMRJYIKXBB-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001731413670 1427380611 /nfs/dbraw/zinc/38/06/11/1427380611.db2.gz LKWIVPQGGXVUJA-HNNXBMFYSA-N 2 0 337.533 3.004 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001731450723 1427427592 /nfs/dbraw/zinc/42/75/92/1427427592.db2.gz IONYKLUIODNOED-QWFCFKBJSA-N 2 0 349.563 3.457 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001731983263 1428195697 /nfs/dbraw/zinc/19/56/97/1428195697.db2.gz HMIYWBZCRJLUIK-LJQANCHMSA-N 2 0 345.531 3.370 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001733939438 1437755487 /nfs/dbraw/zinc/75/54/87/1437755487.db2.gz BGWZKEIJHFJKKZ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060091 1437853543 /nfs/dbraw/zinc/85/35/43/1437853543.db2.gz SMLMHADJXUFSMH-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001734272238 1438003085 /nfs/dbraw/zinc/00/30/85/1438003085.db2.gz OGZPQOGIEANFLH-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001734351874 1438069436 /nfs/dbraw/zinc/06/94/36/1438069436.db2.gz IBTHECMUAXQGMU-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001734404366 1438084144 /nfs/dbraw/zinc/08/41/44/1438084144.db2.gz RXKIKJWUNAGISN-AZUAARDMSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCCC1CCC1 ZINC001734456312 1438113800 /nfs/dbraw/zinc/11/38/00/1438113800.db2.gz HTNAHZPACBQDKC-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001734462455 1438119065 /nfs/dbraw/zinc/11/90/65/1438119065.db2.gz VUBYPTLCTBJGAL-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCC(CC)C[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001752009415 1440132187 /nfs/dbraw/zinc/13/21/87/1440132187.db2.gz RCBRIXHGIFXDJZ-UHFFFAOYSA-N 2 0 330.476 3.131 20 0 EGADRP Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)cs1 ZINC001752075603 1440138357 /nfs/dbraw/zinc/13/83/57/1440138357.db2.gz GFLCAAUCWUCUNJ-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccsc2)cc1 ZINC001752080158 1440138665 /nfs/dbraw/zinc/13/86/65/1440138665.db2.gz SIKGDUFTXJOARD-UHFFFAOYSA-N 2 0 345.512 3.062 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001752154680 1440146782 /nfs/dbraw/zinc/14/67/82/1440146782.db2.gz DJXISOQFBYTILS-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cccc(C)c1 ZINC001752229107 1440157851 /nfs/dbraw/zinc/15/78/51/1440157851.db2.gz HRAMMRXUYQFQJB-OALUTQOASA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001752232159 1440158745 /nfs/dbraw/zinc/15/87/45/1440158745.db2.gz WCKSYRLONOFZRX-RBUKOAKNSA-N 2 0 345.531 3.144 20 0 EGADRP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001752426237 1440177032 /nfs/dbraw/zinc/17/70/32/1440177032.db2.gz ICGMTJSHQBGGQN-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001752439594 1440180863 /nfs/dbraw/zinc/18/08/63/1440180863.db2.gz KOMWKPKPUWZULZ-GHOSXJJBSA-N 2 0 349.563 3.388 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001752489843 1440186442 /nfs/dbraw/zinc/18/64/42/1440186442.db2.gz BLSXJGNNGBZOQO-QUCCMNQESA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001752500700 1440188278 /nfs/dbraw/zinc/18/82/78/1440188278.db2.gz XYDABTSWYLVPFI-UXHICEINSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752528503 1440193674 /nfs/dbraw/zinc/19/36/74/1440193674.db2.gz SUCVYJHOYPJFAD-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001752566350 1440195383 /nfs/dbraw/zinc/19/53/83/1440195383.db2.gz QMPWJGYJTBQSFG-RLLQIKCJSA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001752773052 1440206258 /nfs/dbraw/zinc/20/62/58/1440206258.db2.gz UQXIDHHQOCKWLU-HAGHYFMRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001752813166 1440216953 /nfs/dbraw/zinc/21/69/53/1440216953.db2.gz XUXUNCAJFXBSAA-AZUAARDMSA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001752826804 1440224000 /nfs/dbraw/zinc/22/40/00/1440224000.db2.gz CXVHWTBTSBWBGJ-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752831132 1440225262 /nfs/dbraw/zinc/22/52/62/1440225262.db2.gz AQHIYGTZVCNZSD-RTBURBONSA-N 2 0 337.552 3.364 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001752835200 1440227264 /nfs/dbraw/zinc/22/72/64/1440227264.db2.gz CEUJHBNNWXHKTG-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001752840232 1440229931 /nfs/dbraw/zinc/22/99/31/1440229931.db2.gz JVOMFGGSSLNHTL-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001752853463 1440234284 /nfs/dbraw/zinc/23/42/84/1440234284.db2.gz KZMJTASIIJWOMQ-YFHOEESVSA-N 2 0 343.515 3.059 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752876998 1440238302 /nfs/dbraw/zinc/23/83/02/1440238302.db2.gz KVSRCNNLEFMFPL-AEFFLSMTSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CCC1CCCCCC1 ZINC001752921374 1440248535 /nfs/dbraw/zinc/24/85/35/1440248535.db2.gz QSGCFORQDGNTNP-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001752940534 1440250900 /nfs/dbraw/zinc/25/09/00/1440250900.db2.gz PYJALTMILYDCKO-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001752943377 1440251118 /nfs/dbraw/zinc/25/11/18/1440251118.db2.gz KOOVTPBFEGURRA-KRWDZBQOSA-N 2 0 342.487 3.275 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001752947237 1440251618 /nfs/dbraw/zinc/25/16/18/1440251618.db2.gz ADKWMOQHZMETMV-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752978192 1440256550 /nfs/dbraw/zinc/25/65/50/1440256550.db2.gz ZRRVPGZMLFOGQY-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001752981981 1440257325 /nfs/dbraw/zinc/25/73/25/1440257325.db2.gz AZRVEGPJPNDUFZ-VQTJNVASSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001752998857 1440263514 /nfs/dbraw/zinc/26/35/14/1440263514.db2.gz OAMULJFIKKZESL-OALUTQOASA-N 2 0 335.536 3.138 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001753017000 1440268704 /nfs/dbraw/zinc/26/87/04/1440268704.db2.gz FVKLYHIDVKWABP-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001753056148 1440281629 /nfs/dbraw/zinc/28/16/29/1440281629.db2.gz SWKPZPTXEQFQAT-HNNXBMFYSA-N 2 0 349.906 3.077 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001753094805 1440301782 /nfs/dbraw/zinc/30/17/82/1440301782.db2.gz JAJWYMIORNBIFV-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCCC2)C1 ZINC001753111324 1440308659 /nfs/dbraw/zinc/30/86/59/1440308659.db2.gz GKWOCSRTTUEYTC-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1cccc(F)c1 ZINC001753116796 1440311765 /nfs/dbraw/zinc/31/17/65/1440311765.db2.gz OUJGMCKBWYBYCF-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC001753207457 1440338852 /nfs/dbraw/zinc/33/88/52/1440338852.db2.gz HDYCABGZTMGZIU-OAHLLOKOSA-N 2 0 349.906 3.077 20 0 EGADRP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001753276854 1440346466 /nfs/dbraw/zinc/34/64/66/1440346466.db2.gz AZRBZNNUYDULEK-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccccc1C[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001753292231 1440350714 /nfs/dbraw/zinc/35/07/14/1440350714.db2.gz GWWRXIHFAQFJFH-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)c1ccc(C(C)C)cc1 ZINC001753294653 1440351733 /nfs/dbraw/zinc/35/17/33/1440351733.db2.gz RWQPMULDPYYRLN-HXUWFJFHSA-N 2 0 345.531 3.453 20 0 EGADRP CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001753349971 1440377492 /nfs/dbraw/zinc/37/74/92/1440377492.db2.gz ZTULUPNJVKZICM-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[C@H](C(=O)NCC1C[NH+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001753415641 1440394294 /nfs/dbraw/zinc/39/42/94/1440394294.db2.gz IIKZOONVCVNJAH-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1)CC(C)(C)C ZINC001753424845 1440396259 /nfs/dbraw/zinc/39/62/59/1440396259.db2.gz JJKGFTSPNRJDGU-OALUTQOASA-N 2 0 347.547 3.140 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753448661 1440405058 /nfs/dbraw/zinc/40/50/58/1440405058.db2.gz YWJBCIBUKGSRAM-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP CCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753462303 1440411550 /nfs/dbraw/zinc/41/15/50/1440411550.db2.gz VJJUSUIEXXEGTA-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001753500704 1440423200 /nfs/dbraw/zinc/42/32/00/1440423200.db2.gz ARYYXJPCMCVVLF-HKUYNNGSSA-N 2 0 343.515 3.169 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001753503471 1440423961 /nfs/dbraw/zinc/42/39/61/1440423961.db2.gz HGHSOMDLHDWBAR-IKSUFZCESA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H]([NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC001753510270 1440425771 /nfs/dbraw/zinc/42/57/71/1440425771.db2.gz NUCCDSACJDWNDE-ROUUACIJSA-N 2 0 343.515 3.108 20 0 EGADRP CC[C@H]([NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1)c1ccccc1 ZINC001753511959 1440426227 /nfs/dbraw/zinc/42/62/27/1440426227.db2.gz PUQXTIJIQWJZSR-IBGZPJMESA-N 2 0 345.531 3.497 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001753528093 1440430112 /nfs/dbraw/zinc/43/01/12/1440430112.db2.gz UCAZVFGCHZKLAE-LAUBAEHRSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001753535722 1440432523 /nfs/dbraw/zinc/43/25/23/1440432523.db2.gz LOMUKAMVADQEPL-FXAWDEMLSA-N 2 0 337.552 3.029 20 0 EGADRP CC1CC(C[NH2+]CC[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001753551521 1440434999 /nfs/dbraw/zinc/43/49/99/1440434999.db2.gz OEANXEDBUZSEQX-XBMUEBEBSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001753557607 1440436253 /nfs/dbraw/zinc/43/62/53/1440436253.db2.gz OWUUKRIYZUFTHO-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001753561135 1440436988 /nfs/dbraw/zinc/43/69/88/1440436988.db2.gz MRSDMRAIYWPGDN-CTNGQTDRSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001753562443 1440437200 /nfs/dbraw/zinc/43/72/00/1440437200.db2.gz PQHNLLSWSNXDHO-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001753599044 1440445841 /nfs/dbraw/zinc/44/58/41/1440445841.db2.gz ZZDHPNQYYNZBCD-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001753671235 1440462207 /nfs/dbraw/zinc/46/22/07/1440462207.db2.gz OSSNQBDBIFIFOR-ASIGSXEYSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001753734686 1440477370 /nfs/dbraw/zinc/47/73/70/1440477370.db2.gz GWEHWENZJSFPFJ-VQTJNVASSA-N 2 0 345.531 3.180 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CC2CCC2)C2CCCCC2)CC[N@@H+]1C ZINC001753748142 1440481719 /nfs/dbraw/zinc/48/17/19/1440481719.db2.gz HMYKKDAUGJTPCV-FFZOFVMBSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001753759300 1440483741 /nfs/dbraw/zinc/48/37/41/1440483741.db2.gz LBSUUTNGSZPUJN-AZUAARDMSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753776123 1440486542 /nfs/dbraw/zinc/48/65/42/1440486542.db2.gz AMOVZKOVWWUJFV-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1)C1CCC1 ZINC001753780382 1440487212 /nfs/dbraw/zinc/48/72/12/1440487212.db2.gz VQGQMHCUSVBMMW-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@@H](C)c1ccccc1 ZINC001753788467 1440488540 /nfs/dbraw/zinc/48/85/40/1440488540.db2.gz PRENIWVAEDBVJX-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001753788796 1440488731 /nfs/dbraw/zinc/48/87/31/1440488731.db2.gz RGHDOUKZKUZTFW-FQEVSTJZSA-N 2 0 347.547 3.334 20 0 EGADRP CC1CC(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001753789446 1440488758 /nfs/dbraw/zinc/48/87/58/1440488758.db2.gz ZMJGJFYMZHIMOW-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001753801203 1440490889 /nfs/dbraw/zinc/49/08/89/1440490889.db2.gz KRTRLDCOBAFJAB-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCC(C)CC1 ZINC001753854559 1440508372 /nfs/dbraw/zinc/50/83/72/1440508372.db2.gz ORJWHIYSORLRSD-CTWPCTMYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001753864361 1440513206 /nfs/dbraw/zinc/51/32/06/1440513206.db2.gz ISOBKLOFICEWTJ-RBUKOAKNSA-N 2 0 339.568 3.322 20 0 EGADRP C[C@H](C(=O)N(C)CC[N@H+](C)CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001753864858 1440513821 /nfs/dbraw/zinc/51/38/21/1440513821.db2.gz YKYAEPMFXVSTHT-GOSISDBHSA-N 2 0 335.536 3.142 20 0 EGADRP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)CCC[NH+]1CCCCC1 ZINC001753869542 1440516610 /nfs/dbraw/zinc/51/66/10/1440516610.db2.gz XEXFEDMPAKUKHF-UHFFFAOYSA-N 2 0 335.536 3.143 20 0 EGADRP C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCC(C)(C)C)C2)CC1 ZINC001753876116 1440519313 /nfs/dbraw/zinc/51/93/13/1440519313.db2.gz RABLMMLEGNCXRX-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC2CC2)CCCCC1 ZINC001753891449 1440522158 /nfs/dbraw/zinc/52/21/58/1440522158.db2.gz LGAOEWGKOAOJGL-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753988485 1440528720 /nfs/dbraw/zinc/52/87/20/1440528720.db2.gz GTWAGNKCRSFIBS-GOSISDBHSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)CCC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753999712 1440530073 /nfs/dbraw/zinc/53/00/73/1440530073.db2.gz OUCHINNRPXWNKA-LPHOPBHVSA-N 2 0 343.531 3.120 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001754225508 1440553320 /nfs/dbraw/zinc/55/33/20/1440553320.db2.gz YZDNLWGUZYZXBX-UZLBHIALSA-N 2 0 343.515 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001754228522 1440553642 /nfs/dbraw/zinc/55/36/42/1440553642.db2.gz LGKWQOQAJFDCBS-UYAOXDASSA-N 2 0 345.531 3.081 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001754313473 1440574246 /nfs/dbraw/zinc/57/42/46/1440574246.db2.gz WVWXZTRWPKXICV-HNAYVOBHSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCCCCC1 ZINC001754335999 1440586603 /nfs/dbraw/zinc/58/66/03/1440586603.db2.gz JLBHXCREYFOTBC-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001754354530 1440591338 /nfs/dbraw/zinc/59/13/38/1440591338.db2.gz SWQIZFPQBIQJGM-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754374061 1440592850 /nfs/dbraw/zinc/59/28/50/1440592850.db2.gz VQSKFPNPFLCZBD-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001754394033 1440594463 /nfs/dbraw/zinc/59/44/63/1440594463.db2.gz NWGDMEWCAPCZNB-KRWDZBQOSA-N 2 0 341.499 3.291 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001754442358 1440599501 /nfs/dbraw/zinc/59/95/01/1440599501.db2.gz FSNRIVHGKZKYKQ-LPHOPBHVSA-N 2 0 343.515 3.025 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001754516045 1440618470 /nfs/dbraw/zinc/61/84/70/1440618470.db2.gz MHVYBJUFZXPJNV-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001754531674 1440622811 /nfs/dbraw/zinc/62/28/11/1440622811.db2.gz KCOCIZDFMDFQLR-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1ccnc1 ZINC001754545207 1440627180 /nfs/dbraw/zinc/62/71/80/1440627180.db2.gz ZYZDCHANKOIJGM-YQQQUEKLSA-N 2 0 346.519 3.211 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001754604241 1440642992 /nfs/dbraw/zinc/64/29/92/1440642992.db2.gz VBQWODOASLKUNN-PKOBYXMFSA-N 2 0 335.536 3.186 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001754626998 1440646606 /nfs/dbraw/zinc/64/66/06/1440646606.db2.gz SRCZNIZKKCDJLZ-MRXNPFEDSA-N 2 0 343.531 3.073 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001754629173 1440647183 /nfs/dbraw/zinc/64/71/83/1440647183.db2.gz SROVMDZQKXEOGH-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)C)C2CCCC2)CC[N@@H+]1C ZINC001754649340 1440651427 /nfs/dbraw/zinc/65/14/27/1440651427.db2.gz JBHSNZCERACIKX-IPMKNSEASA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C1CCCC1 ZINC001754650843 1440651844 /nfs/dbraw/zinc/65/18/44/1440651844.db2.gz PUYVBHRFGZJYDQ-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C1CCCC1 ZINC001754652908 1440652434 /nfs/dbraw/zinc/65/24/34/1440652434.db2.gz PKGVLOKRXMCZAK-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP CC1CC(C[NH2+]C[C@H](NC(=O)CC[NH+]2CCCCC2)C2CCCC2)C1 ZINC001754655609 1440653319 /nfs/dbraw/zinc/65/33/19/1440653319.db2.gz DVLWTAAFZXGQQH-QLOJAFMTSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001754662301 1440655341 /nfs/dbraw/zinc/65/53/41/1440655341.db2.gz VNXWPQHRKDBJSH-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001754680111 1440661622 /nfs/dbraw/zinc/66/16/22/1440661622.db2.gz HDNBGUCQVWSFSR-APWZRJJASA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)(C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001754711383 1440670299 /nfs/dbraw/zinc/67/02/99/1440670299.db2.gz ZWZFZUMLCQKSCG-RTWAWAEBSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001754722537 1440674028 /nfs/dbraw/zinc/67/40/28/1440674028.db2.gz ZPTNAROHSFKFGU-LJQANCHMSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754796076 1440689372 /nfs/dbraw/zinc/68/93/72/1440689372.db2.gz XDKVAYPMXIFYFP-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001754801442 1440690456 /nfs/dbraw/zinc/69/04/56/1440690456.db2.gz PNXUWTZVXTZMFB-DOTOQJQBSA-N 2 0 342.487 3.129 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCCC(C)C)CC[N@@H+]1C ZINC001754864225 1440702211 /nfs/dbraw/zinc/70/22/11/1440702211.db2.gz AFURHDZLOWTFMA-NMLBUPMWSA-N 2 0 349.563 3.218 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001754868248 1440703877 /nfs/dbraw/zinc/70/38/77/1440703877.db2.gz OBMZDWRWKSTJCT-CEXWTWQISA-N 2 0 337.552 3.218 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001754869845 1440704652 /nfs/dbraw/zinc/70/46/52/1440704652.db2.gz QPTQOXQBRKWDGD-GUDVDZBRSA-N 2 0 337.552 3.362 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001754916276 1440708675 /nfs/dbraw/zinc/70/86/75/1440708675.db2.gz SKHNHMNJARACEN-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001754944060 1440712306 /nfs/dbraw/zinc/71/23/06/1440712306.db2.gz BMCBENJOOZSMIZ-ROUUACIJSA-N 2 0 345.531 3.236 20 0 EGADRP CCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001754954880 1440716109 /nfs/dbraw/zinc/71/61/09/1440716109.db2.gz VACRKMQQSCSKQJ-FQEVSTJZSA-N 2 0 345.531 3.409 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001754985306 1440722509 /nfs/dbraw/zinc/72/25/09/1440722509.db2.gz NRXILHJWSSTDBK-LJQANCHMSA-N 2 0 347.547 3.378 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001754991272 1440724526 /nfs/dbraw/zinc/72/45/26/1440724526.db2.gz FWRAORVTVFPFEN-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001755024678 1440728211 /nfs/dbraw/zinc/72/82/11/1440728211.db2.gz GILPZKBVAUONQF-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027763 1440729912 /nfs/dbraw/zinc/72/99/12/1440729912.db2.gz GRBTYOXAAVTXOG-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755031545 1440731913 /nfs/dbraw/zinc/73/19/13/1440731913.db2.gz UNJDCDUWIMVCOL-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001755041449 1440737725 /nfs/dbraw/zinc/73/77/25/1440737725.db2.gz AUKSYZJRYSFBCW-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001755047434 1440742069 /nfs/dbraw/zinc/74/20/69/1440742069.db2.gz NTDQAJQZVCBARG-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001755072573 1440747166 /nfs/dbraw/zinc/74/71/66/1440747166.db2.gz LNXUAXARSOMTJX-HPFMTEOYSA-N 2 0 335.536 3.045 20 0 EGADRP CCC1([NH2+]CC2CCCC2)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001755073361 1440747445 /nfs/dbraw/zinc/74/74/45/1440747445.db2.gz QUZZEBFWBSBWPX-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001755079377 1440750212 /nfs/dbraw/zinc/75/02/12/1440750212.db2.gz IUNQFQQDNRQEKK-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001755128227 1440756564 /nfs/dbraw/zinc/75/65/64/1440756564.db2.gz XLKVFUKIJUTANO-KBSZCIAZSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001755161978 1440765079 /nfs/dbraw/zinc/76/50/79/1440765079.db2.gz OVMJRVAPNGLKCL-YSKLNCTFSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC001755200552 1440779304 /nfs/dbraw/zinc/77/93/04/1440779304.db2.gz IMTPCWPLKKFVKM-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208794 1440782541 /nfs/dbraw/zinc/78/25/41/1440782541.db2.gz AZPNFAULMLHEJR-VQIMIIECSA-N 2 0 349.494 3.033 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC001755221622 1440784882 /nfs/dbraw/zinc/78/48/82/1440784882.db2.gz FRONGAZXDVPDGV-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300684 1440808376 /nfs/dbraw/zinc/80/83/76/1440808376.db2.gz VWLMPHMDRBWOBZ-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001755320111 1440818080 /nfs/dbraw/zinc/81/80/80/1440818080.db2.gz NTBJJAMMGVIRQA-DLBZAZTESA-N 2 0 349.494 3.027 20 0 EGADRP CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001755351002 1440827858 /nfs/dbraw/zinc/82/78/58/1440827858.db2.gz PYHUVLMDVOVXJO-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001755353587 1440828541 /nfs/dbraw/zinc/82/85/41/1440828541.db2.gz PZUDQVIVFXLZAQ-ROUUACIJSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)(C)CCC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001755355565 1440829368 /nfs/dbraw/zinc/82/93/68/1440829368.db2.gz KPDVOMJVHRXQJX-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCCC[C@@H](C[NH2+]Cc1ccc(C)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001755359860 1440831309 /nfs/dbraw/zinc/83/13/09/1440831309.db2.gz LLTYGKJHBDXUBN-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001755366336 1440834570 /nfs/dbraw/zinc/83/45/70/1440834570.db2.gz PJWCIXUMOIMCJZ-LJQANCHMSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001755367537 1440835384 /nfs/dbraw/zinc/83/53/84/1440835384.db2.gz HXYZNBAPJAXGFO-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001755379972 1440839213 /nfs/dbraw/zinc/83/92/13/1440839213.db2.gz WRHCVDPLXHAJLY-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC2CCCCCC2)C1 ZINC001755389844 1440841720 /nfs/dbraw/zinc/84/17/20/1440841720.db2.gz FXJWZDQSTXHYPK-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001755411308 1440846215 /nfs/dbraw/zinc/84/62/15/1440846215.db2.gz BNDLRZIHNVCJKI-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755414020 1440847884 /nfs/dbraw/zinc/84/78/84/1440847884.db2.gz NYCCXIOFFPABDX-ROUUACIJSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CC3(CCC3)C2)CC1(C)C ZINC001755415264 1440848214 /nfs/dbraw/zinc/84/82/14/1440848214.db2.gz HHYSZDNJQWJTDD-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+]([C@H](C)c1ccccc1)C2 ZINC001755458649 1440856717 /nfs/dbraw/zinc/85/67/17/1440856717.db2.gz ONMKQIDIQRKMOI-GOSISDBHSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001755536186 1440869496 /nfs/dbraw/zinc/86/94/96/1440869496.db2.gz JUVALFCWIBLBDC-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]C/C=C/Cl ZINC001755551278 1440872138 /nfs/dbraw/zinc/87/21/38/1440872138.db2.gz UTFWMRHYKXTILD-JSMQFAGNSA-N 2 0 343.943 3.122 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001755573752 1440877563 /nfs/dbraw/zinc/87/75/63/1440877563.db2.gz TXYLNZWDQJXICP-YLJYHZDGSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001755588421 1440880830 /nfs/dbraw/zinc/88/08/30/1440880830.db2.gz YWEZORNBOBWZSE-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H](CN(C)C(=O)c1sccc1C[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001755589948 1440881271 /nfs/dbraw/zinc/88/12/71/1440881271.db2.gz DQBMYKBLXQLEBM-OAHLLOKOSA-N 2 0 349.544 3.360 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755685934 1440895997 /nfs/dbraw/zinc/89/59/97/1440895997.db2.gz CWWWTLZRIJVCCA-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755687008 1440896125 /nfs/dbraw/zinc/89/61/25/1440896125.db2.gz RSBRZLUVAQKRNT-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755688728 1440896296 /nfs/dbraw/zinc/89/62/96/1440896296.db2.gz FDPFJPWWDPFMFR-LXORQPIJSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755688732 1440896506 /nfs/dbraw/zinc/89/65/06/1440896506.db2.gz FDPFJPWWDPFMFR-PWBPZBFBSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001755694255 1440897566 /nfs/dbraw/zinc/89/75/66/1440897566.db2.gz VJLFQTKJLBJTAJ-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CCCCC1 ZINC001755716490 1440905402 /nfs/dbraw/zinc/90/54/02/1440905402.db2.gz AGRIRZOEVHTSOV-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC001755758270 1440914431 /nfs/dbraw/zinc/91/44/31/1440914431.db2.gz WVCVMNRZLPFMIG-OAHLLOKOSA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)CC[N@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001755815389 1440923186 /nfs/dbraw/zinc/92/31/86/1440923186.db2.gz JRXPPJKSEHFHHN-HDICACEKSA-N 2 0 325.541 3.074 20 0 EGADRP CC(C)CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001755827199 1440927607 /nfs/dbraw/zinc/92/76/07/1440927607.db2.gz HEAJAMVEDQSEQR-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP CC1CCC(C[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)CC1 ZINC001755831415 1440928879 /nfs/dbraw/zinc/92/88/79/1440928879.db2.gz URTLZXIWPVRJRO-ABHNRTSZSA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001755845410 1440933085 /nfs/dbraw/zinc/93/30/85/1440933085.db2.gz IXHRSNBMGQGPCD-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)C1CC([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001755863879 1440937337 /nfs/dbraw/zinc/93/73/37/1440937337.db2.gz OWGUFHLHTFXJKM-SOAGJPPSSA-N 2 0 343.515 3.059 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c(F)c1 ZINC001755902689 1440944254 /nfs/dbraw/zinc/94/42/54/1440944254.db2.gz MEXNCZJXIWTNBQ-LJQANCHMSA-N 2 0 349.494 3.062 20 0 EGADRP Cc1c[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc1C ZINC001164859505 721008857 /nfs/dbraw/zinc/00/88/57/721008857.db2.gz IUFJJFPGRGHEKI-INIZCTEOSA-N 2 0 327.476 3.316 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC000368521068 168367260 /nfs/dbraw/zinc/36/72/60/168367260.db2.gz BHVBCUPSBGILKP-JOCHJYFZSA-N 2 0 343.559 3.357 20 0 EGADRP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000370635059 168522184 /nfs/dbraw/zinc/52/21/84/168522184.db2.gz NWCVGBPWNQQRNS-RBUKOAKNSA-N 2 0 329.532 3.431 20 0 EGADRP [NH3+]CC1(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCCC1 ZINC000184220682 235337330 /nfs/dbraw/zinc/33/73/30/235337330.db2.gz ZNUUIDPZKJLGGZ-INIZCTEOSA-N 2 0 349.544 3.301 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1Br ZINC000271847147 201247383 /nfs/dbraw/zinc/24/73/83/201247383.db2.gz IBDPWUMWMQVYJL-GFCCVEGCSA-N 2 0 339.277 3.370 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCOCCOCc2ccccc2)CC1 ZINC000272543692 201252191 /nfs/dbraw/zinc/25/21/91/201252191.db2.gz LBJFUZAPQHFANC-UHFFFAOYSA-N 2 0 334.504 3.074 20 0 EGADRP CC(C)n1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000290238308 201335036 /nfs/dbraw/zinc/33/50/36/201335036.db2.gz ZDXRFOAUFYUWSG-LJQANCHMSA-N 2 0 341.503 3.249 20 0 EGADRP CC[NH+]1CCC([NH2+]CCCCCNC(=O)OCc2ccccc2)CC1 ZINC000287500600 201335308 /nfs/dbraw/zinc/33/53/08/201335308.db2.gz NSTAWJWJLZSANR-UHFFFAOYSA-N 2 0 347.503 3.157 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072858421 203248843 /nfs/dbraw/zinc/24/88/43/203248843.db2.gz MKROMCDKEDFFAQ-KRWDZBQOSA-N 2 0 339.483 3.442 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000072955695 203251316 /nfs/dbraw/zinc/25/13/16/203251316.db2.gz KIHODMDSUOXBAI-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000358683066 284211756 /nfs/dbraw/zinc/21/17/56/284211756.db2.gz CUXRDNGOCCSQFU-BWPNAZKDSA-N 2 0 343.515 3.059 20 0 EGADRP COc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1OC(F)F ZINC000104098824 204096847 /nfs/dbraw/zinc/09/68/47/204096847.db2.gz NMYPUXFVCKQMGD-CQSZACIVSA-N 2 0 328.403 3.070 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000128482952 205149144 /nfs/dbraw/zinc/14/91/44/205149144.db2.gz ZUAGGKGEYDPUKJ-NHCUHLMSSA-N 2 0 329.532 3.015 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000354717566 284354380 /nfs/dbraw/zinc/35/43/80/284354380.db2.gz MDSRDIBBFXHIJR-HXUWFJFHSA-N 2 0 345.531 3.265 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1Br ZINC000111237152 220120285 /nfs/dbraw/zinc/12/02/85/220120285.db2.gz QIWBCVSQYRBCEN-LLVKDONJSA-N 2 0 327.266 3.017 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000264153361 246117163 /nfs/dbraw/zinc/11/71/63/246117163.db2.gz ZXIOJXMRGQATIE-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccncc3)cc2)CC1 ZINC000156465720 206080137 /nfs/dbraw/zinc/08/01/37/206080137.db2.gz DPRKGKYBFUWGIS-SFHVURJKSA-N 2 0 338.499 3.070 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157014910 206111669 /nfs/dbraw/zinc/11/16/69/206111669.db2.gz SJZPKTXRLLICRD-DLBZAZTESA-N 2 0 333.520 3.150 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000159199851 206230872 /nfs/dbraw/zinc/23/08/72/206230872.db2.gz BHISFNQQABIEGX-FQEVSTJZSA-N 2 0 332.488 3.163 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000159199750 206231101 /nfs/dbraw/zinc/23/11/01/206231101.db2.gz BHISFNQQABIEGX-HXUWFJFHSA-N 2 0 332.488 3.163 20 0 EGADRP CC(=O)NC1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000161797809 206371240 /nfs/dbraw/zinc/37/12/40/206371240.db2.gz WLRTUGPXERJNQA-UHFFFAOYSA-N 2 0 331.504 3.064 20 0 EGADRP C[C@@H](CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377620564 169049438 /nfs/dbraw/zinc/04/94/38/169049438.db2.gz FCLVEMRYLJFHPB-RXVVDRJESA-N 2 0 329.532 3.281 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000267293209 250915397 /nfs/dbraw/zinc/91/53/97/250915397.db2.gz WCQIMSWNKKLBGG-UHFFFAOYSA-N 2 0 340.471 3.237 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000268732297 252183005 /nfs/dbraw/zinc/18/30/05/252183005.db2.gz MWDXLOYGIGNYDQ-UHFFFAOYSA-N 2 0 335.923 3.380 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000269032346 255517438 /nfs/dbraw/zinc/51/74/38/255517438.db2.gz UOWKBMTWXURBHY-UXHICEINSA-N 2 0 330.516 3.223 20 0 EGADRP COc1ccc([C@@H](CCC(C)C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154906127 224324726 /nfs/dbraw/zinc/32/47/26/224324726.db2.gz COTKVYKMANKRTN-GHTZIAJQSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)(N(C)C)C1 ZINC000298257545 132388385 /nfs/dbraw/zinc/38/83/85/132388385.db2.gz FEMFSMOYFAKSAX-YLJYHZDGSA-N 2 0 330.520 3.151 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000182769504 140988892 /nfs/dbraw/zinc/98/88/92/140988892.db2.gz XLECUFJYGPHZRC-UHFFFAOYSA-N 2 0 329.492 3.063 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000237527236 141006681 /nfs/dbraw/zinc/00/66/81/141006681.db2.gz JZQRZKTZKYGKNO-JXFKEZNVSA-N 2 0 329.488 3.389 20 0 EGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246861270 141039805 /nfs/dbraw/zinc/03/98/05/141039805.db2.gz CALSXNQYYLMLKY-IXDOHACOSA-N 2 0 347.503 3.185 20 0 EGADRP COC[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000246870634 141040927 /nfs/dbraw/zinc/04/09/27/141040927.db2.gz DJPDKVUHEZDTQQ-FUHIMQAGSA-N 2 0 334.504 3.056 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000247004550 141048513 /nfs/dbraw/zinc/04/85/13/141048513.db2.gz LVYGDHHXJSYDIX-HKUYNNGSSA-N 2 0 334.504 3.230 20 0 EGADRP Fc1ccc(-n2nccc2C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000339496606 141123376 /nfs/dbraw/zinc/12/33/76/141123376.db2.gz CRRFIAFKCYCTMD-UHFFFAOYSA-N 2 0 330.451 3.367 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000344477571 141160855 /nfs/dbraw/zinc/16/08/55/141160855.db2.gz HGAHQFWBDBXCGC-LAUBAEHRSA-N 2 0 341.499 3.341 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000353472400 141304323 /nfs/dbraw/zinc/30/43/23/141304323.db2.gz UDCVSGPXXKDRRA-IPELMVKDSA-N 2 0 329.488 3.388 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)Cc2ccccc2)C1 ZINC000354602811 141312998 /nfs/dbraw/zinc/31/29/98/141312998.db2.gz MCLQRIXXUSBTIZ-UXHICEINSA-N 2 0 345.531 3.087 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)Nc1ccccc1 ZINC000164945939 143986201 /nfs/dbraw/zinc/98/62/01/143986201.db2.gz QNJFFEURLVJPRN-UHFFFAOYSA-N 2 0 329.488 3.402 20 0 EGADRP CCOC(=O)CCC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184744147 144099027 /nfs/dbraw/zinc/09/90/27/144099027.db2.gz LRPMZUDNLSMKPM-XEWABKELSA-N 2 0 332.488 3.076 20 0 EGADRP Cc1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1 ZINC000187137124 144152903 /nfs/dbraw/zinc/15/29/03/144152903.db2.gz HGIPVHCHQWTTGJ-QZTJIDSGSA-N 2 0 345.531 3.410 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(F)cccc1Br ZINC000192686054 144177391 /nfs/dbraw/zinc/17/73/91/144177391.db2.gz UBZSHUUQDKQGMO-LBPRGKRZSA-N 2 0 347.272 3.035 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000344797180 144226413 /nfs/dbraw/zinc/22/64/13/144226413.db2.gz RWHUEUXRCNRVOY-IBGZPJMESA-N 2 0 344.499 3.353 20 0 EGADRP CCN(CC(=O)NCCC[N@H+](C)C(C)C)Cc1ccccc1Cl ZINC000351357579 144262967 /nfs/dbraw/zinc/26/29/67/144262967.db2.gz XPCMLZNAMDRGBX-UHFFFAOYSA-N 2 0 339.911 3.008 20 0 EGADRP Cc1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488463 144268674 /nfs/dbraw/zinc/26/86/74/144268674.db2.gz FRRJBBFNNXAKKY-CWRNSKLLSA-N 2 0 331.847 3.473 20 0 EGADRP Cc1cccc2ncc(CN3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)n21 ZINC000352288337 144323216 /nfs/dbraw/zinc/32/32/16/144323216.db2.gz ZUORDPKMBIOOPY-KURKYZTESA-N 2 0 326.488 3.480 20 0 EGADRP Cc1sc(NC(=O)CN2CC[C@@H](Oc3ccncc3)C2)c(C)c1C ZINC000120191767 152257919 /nfs/dbraw/zinc/25/79/19/152257919.db2.gz VZPXFJHNKCILJI-MRXNPFEDSA-N 2 0 345.468 3.160 20 0 EGADRP CCCn1c(C)nnc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000120613486 152287960 /nfs/dbraw/zinc/28/79/60/152287960.db2.gz PSWWHZVWCMTJAL-UHFFFAOYSA-N 2 0 333.524 3.085 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CNCc2ccc(N(C)C(C)C)nc2)C1 ZINC000191452608 153197503 /nfs/dbraw/zinc/19/75/03/153197503.db2.gz BYKQQXGIGKPXQD-LJQANCHMSA-N 2 0 332.536 3.384 20 0 EGADRP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCC1 ZINC000195132829 153382075 /nfs/dbraw/zinc/38/20/75/153382075.db2.gz LNLIHVHOUIXGGQ-UHFFFAOYSA-N 2 0 347.528 3.048 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000195137201 153382662 /nfs/dbraw/zinc/38/26/62/153382662.db2.gz FTEMRRXPYBOORZ-NMLBUPMWSA-N 2 0 328.500 3.302 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337390204 154328673 /nfs/dbraw/zinc/32/86/73/154328673.db2.gz NCNSPBCWIOUUNH-IRXDYDNUSA-N 2 0 334.504 3.265 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC000339948172 155046808 /nfs/dbraw/zinc/04/68/08/155046808.db2.gz NHLKTLPNPJLOQI-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(C)C ZINC000346848902 156163391 /nfs/dbraw/zinc/16/33/91/156163391.db2.gz FOMFSRQGRWTBGJ-KSZLIROESA-N 2 0 332.488 3.289 20 0 EGADRP FC(F)(F)c1ccccc1[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346980636 156227968 /nfs/dbraw/zinc/22/79/68/156227968.db2.gz MFEKUROZOGPXIU-MRXNPFEDSA-N 2 0 328.378 3.078 20 0 EGADRP Clc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000347002315 156240568 /nfs/dbraw/zinc/24/05/68/156240568.db2.gz IYLSXTKTOGGPQL-IBGZPJMESA-N 2 0 344.890 3.490 20 0 EGADRP Oc1ccc(Br)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000347014269 156248747 /nfs/dbraw/zinc/24/87/47/156248747.db2.gz IKOWKQHYPJLMIA-INIZCTEOSA-N 2 0 339.277 3.119 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2n[nH]c(C)c2c1 ZINC000348971230 156304707 /nfs/dbraw/zinc/30/47/07/156304707.db2.gz XXVNSQYQUAZXHZ-UHFFFAOYSA-N 2 0 337.471 3.350 20 0 EGADRP CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349016515 156319941 /nfs/dbraw/zinc/31/99/41/156319941.db2.gz ZQMLEWJNDBNQBR-UHFFFAOYSA-N 2 0 344.455 3.458 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349029762 156322666 /nfs/dbraw/zinc/32/26/66/156322666.db2.gz KCBWOXVQGQAWKC-UHFFFAOYSA-N 2 0 341.503 3.274 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)C)s1 ZINC000349064729 156341088 /nfs/dbraw/zinc/34/10/88/156341088.db2.gz VWWDSCHKQSBPSN-INIZCTEOSA-N 2 0 338.565 3.114 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352650934 156398774 /nfs/dbraw/zinc/39/87/74/156398774.db2.gz BJJYTUPMJWXVMK-IRXDYDNUSA-N 2 0 345.487 3.122 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)[NH+](CC)CC ZINC000362137148 157039337 /nfs/dbraw/zinc/03/93/37/157039337.db2.gz ZSVIHRQZJPBBLB-QXAKKESOSA-N 2 0 333.520 3.223 20 0 EGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C[NH+](C)C)cc3)c(C)n2n1 ZINC000093370294 162005309 /nfs/dbraw/zinc/00/53/09/162005309.db2.gz UAXDBZZHUNHTSJ-HNNXBMFYSA-N 2 0 337.471 3.259 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000126660016 162309205 /nfs/dbraw/zinc/30/92/05/162309205.db2.gz WUZGAGBLHYVKSE-PXNSSMCTSA-N 2 0 345.531 3.249 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130684132 162375842 /nfs/dbraw/zinc/37/58/42/162375842.db2.gz VMVBLACQDGAQBW-KRWDZBQOSA-N 2 0 345.531 3.164 20 0 EGADRP Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000131221989 162394301 /nfs/dbraw/zinc/39/43/01/162394301.db2.gz YORVKLREIIUYFO-YOEHRIQHSA-N 2 0 333.863 3.062 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@@H]5OCC[C@@H]54)[C@H]3C2)cc1 ZINC000248411334 163001634 /nfs/dbraw/zinc/00/16/34/163001634.db2.gz ICQYBUFWEZXHNB-NALHQMNBSA-N 2 0 340.511 3.444 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411407 163001784 /nfs/dbraw/zinc/00/17/84/163001784.db2.gz ZBOSYAZLIOXJAW-BHDDXSALSA-N 3 0 341.543 3.219 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000248442082 163005651 /nfs/dbraw/zinc/00/56/51/163005651.db2.gz KNTYBRSABASAHA-UXHICEINSA-N 2 0 339.483 3.279 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000248459417 163006779 /nfs/dbraw/zinc/00/67/79/163006779.db2.gz VQYBYGLOHBPJQD-FGZHOGPDSA-N 2 0 336.479 3.494 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338439882 163226480 /nfs/dbraw/zinc/22/64/80/163226480.db2.gz ZPYMSHITESWNKV-QGZVFWFLSA-N 2 0 326.488 3.217 20 0 EGADRP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000342461068 163885556 /nfs/dbraw/zinc/88/55/56/163885556.db2.gz WCLMFSWKIRNYNT-GOSISDBHSA-N 2 0 341.499 3.441 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745213 164024300 /nfs/dbraw/zinc/02/43/00/164024300.db2.gz RZAODEBTLRCXQI-APWZRJJASA-N 2 0 347.478 3.127 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000343761878 164029174 /nfs/dbraw/zinc/02/91/74/164029174.db2.gz ILZUGPYBWZIAOK-FXAWDEMLSA-N 2 0 327.516 3.428 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000343775029 164031621 /nfs/dbraw/zinc/03/16/21/164031621.db2.gz TZGYFJKHVOGKGD-JNIAIEOXSA-N 2 0 343.515 3.027 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C1(C)C ZINC000344082115 164099759 /nfs/dbraw/zinc/09/97/59/164099759.db2.gz YWGLAOXXMNUDPU-MOPGFXCFSA-N 2 0 334.504 3.310 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000344263095 164141015 /nfs/dbraw/zinc/14/10/15/164141015.db2.gz HXDLSNNJCMPVLD-RBUKOAKNSA-N 2 0 345.531 3.123 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000346121166 164341954 /nfs/dbraw/zinc/34/19/54/164341954.db2.gz FCAPRWCAWXVMOX-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP CCCn1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000350224660 165020419 /nfs/dbraw/zinc/02/04/19/165020419.db2.gz NWNVSWMEVZWFPN-UHFFFAOYSA-N 2 0 327.476 3.037 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000350283898 165025175 /nfs/dbraw/zinc/02/51/75/165025175.db2.gz ARHAMCNXHMBXAC-INIZCTEOSA-N 2 0 340.508 3.351 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350916232 165082234 /nfs/dbraw/zinc/08/22/34/165082234.db2.gz DAKOIYKOGHOVKB-INIZCTEOSA-N 2 0 345.531 3.412 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)N1CC[NH+](C)CC1 ZINC000353277010 165707538 /nfs/dbraw/zinc/70/75/38/165707538.db2.gz WZVOWKASVBRZAM-RDJZCZTQSA-N 2 0 331.495 3.062 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCOCC4CC4)C3)C2)cc1 ZINC000355777637 166305453 /nfs/dbraw/zinc/30/54/53/166305453.db2.gz CISONZZLUZZMDY-NRFANRHFSA-N 2 0 328.500 3.401 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000356046093 166385116 /nfs/dbraw/zinc/38/51/16/166385116.db2.gz SBOORKNYWSAIFV-WOJBJXKFSA-N 2 0 345.531 3.276 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356901409 166530939 /nfs/dbraw/zinc/53/09/39/166530939.db2.gz PNIORODZZIKOKX-PKOBYXMFSA-N 2 0 334.504 3.312 20 0 EGADRP CC(C)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC000359117654 167072318 /nfs/dbraw/zinc/07/23/18/167072318.db2.gz SMKFMEWTCYGRJH-MRXNPFEDSA-N 2 0 335.458 3.113 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC)[NH+](C)C ZINC000359164510 167085777 /nfs/dbraw/zinc/08/57/77/167085777.db2.gz IGNMNMKVFAZHEJ-DLBZAZTESA-N 2 0 339.911 3.179 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+](C)C ZINC000359168554 167086540 /nfs/dbraw/zinc/08/65/40/167086540.db2.gz LZAFEOKEXDZWMB-QKLQHJQFSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359191853 167092092 /nfs/dbraw/zinc/09/20/92/167092092.db2.gz OMWYKZXLFFXHRB-GHTZIAJQSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000359232271 167102368 /nfs/dbraw/zinc/10/23/68/167102368.db2.gz IVEPIKFKXYEQFY-DENIHFKCSA-N 2 0 336.479 3.339 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359298274 167118262 /nfs/dbraw/zinc/11/82/62/167118262.db2.gz ZTWLSYLACIHOSY-UHFFFAOYSA-N 2 0 343.446 3.314 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087898 167264568 /nfs/dbraw/zinc/26/45/68/167264568.db2.gz JTZIQVODQGFJSV-GJZGRUSLSA-N 2 0 344.425 3.413 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360629418 167374329 /nfs/dbraw/zinc/37/43/29/167374329.db2.gz MRZYPUHCRKDRPH-LJQANCHMSA-N 2 0 334.479 3.070 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000360710705 167394745 /nfs/dbraw/zinc/39/47/45/167394745.db2.gz GTBFJTMBPDRBNF-IBGZPJMESA-N 2 0 327.516 3.270 20 0 EGADRP COCCn1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000367423857 168223206 /nfs/dbraw/zinc/22/32/06/168223206.db2.gz XTRWEZYRQJOHJC-GOSISDBHSA-N 2 0 348.535 3.006 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)ncn2C ZINC000367952970 168287334 /nfs/dbraw/zinc/28/73/34/168287334.db2.gz XJQNTUBSNRJAEY-YJBOKZPZSA-N 2 0 335.455 3.291 20 0 EGADRP Cc1ccccc1-n1cc(CNCc2ccccc2-n2ccnc2)nn1 ZINC000367952339 168287343 /nfs/dbraw/zinc/28/73/43/168287343.db2.gz OWDQCRWNSGRMJZ-UHFFFAOYSA-N 2 0 344.422 3.051 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000178618574 265328808 /nfs/dbraw/zinc/32/88/08/265328808.db2.gz PWGOSLZDYVKOOQ-UHFFFAOYSA-N 2 0 349.563 3.266 20 0 EGADRP COc1cc2c(cc1OC)C[N@H+](CCCCn1ccnc1C)CC2 ZINC000179039541 265357409 /nfs/dbraw/zinc/35/74/09/265357409.db2.gz TXSPGZJEWJVXIT-UHFFFAOYSA-N 2 0 329.444 3.047 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000180119369 265395366 /nfs/dbraw/zinc/39/53/66/265395366.db2.gz PFGWKGQCNDZZDU-ICSRJNTNSA-N 2 0 349.588 3.419 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180118511 265395928 /nfs/dbraw/zinc/39/59/28/265395928.db2.gz BAHVWIFAYQPIRD-IBGZPJMESA-N 2 0 337.511 3.392 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1(C[NH3+])CCCC1 ZINC000237590100 266237571 /nfs/dbraw/zinc/23/75/71/266237571.db2.gz BOIANIPNHCCGNV-UHFFFAOYSA-N 2 0 347.528 3.001 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)C[NH+]1CCCCC1 ZINC000237604954 266238746 /nfs/dbraw/zinc/23/87/46/266238746.db2.gz LNJOTSCWRCXSSX-SJORKVTESA-N 2 0 332.488 3.448 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000273189371 266993529 /nfs/dbraw/zinc/99/35/29/266993529.db2.gz HUUAVXUZTKGJJQ-MRXNPFEDSA-N 2 0 333.520 3.310 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000273311438 267018022 /nfs/dbraw/zinc/01/80/22/267018022.db2.gz WSCUYSNKYMBOIV-KZNAEPCWSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000274669079 267270243 /nfs/dbraw/zinc/27/02/43/267270243.db2.gz XFRNYMXGIBZFCY-BEFAXECRSA-N 2 0 335.923 3.333 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274779558 267285840 /nfs/dbraw/zinc/28/58/40/267285840.db2.gz OSRDNQDHSJNOPU-BWUHRYBWSA-N 2 0 340.511 3.444 20 0 EGADRP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274966019 267312514 /nfs/dbraw/zinc/31/25/14/267312514.db2.gz XGZBIBVQTTZCGV-HLLBOEOZSA-N 2 0 344.421 3.454 20 0 EGADRP CC(C)C[NH+]1CCC(NC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275604574 267390598 /nfs/dbraw/zinc/39/05/98/267390598.db2.gz HMFMJUWIGOQUEH-UHFFFAOYSA-N 2 0 346.519 3.033 20 0 EGADRP CC(C)[C@@H](C[NH2+]CCCCCOc1ccccc1)N1CC[NH+](C)CC1 ZINC000275849761 267438926 /nfs/dbraw/zinc/43/89/26/267438926.db2.gz VZUWZKMAXBIMFB-OAQYLSRUSA-N 2 0 347.547 3.097 20 0 EGADRP c1ccc(CN2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000278450920 268016145 /nfs/dbraw/zinc/01/61/45/268016145.db2.gz LLNAJPAWWRQFQK-UHFFFAOYSA-N 2 0 327.516 3.115 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC000110820028 275181569 /nfs/dbraw/zinc/18/15/69/275181569.db2.gz BNUJACVZTWFMEN-QGZVFWFLSA-N 2 0 337.305 3.382 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000194882984 275229036 /nfs/dbraw/zinc/22/90/36/275229036.db2.gz ZSZXAHAWTOWUBZ-DLBZAZTESA-N 2 0 335.561 3.333 20 0 EGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(CO)c1 ZINC000271887669 275238906 /nfs/dbraw/zinc/23/89/06/275238906.db2.gz JIWYURRSTJICFX-INIZCTEOSA-N 2 0 325.456 3.141 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]C[C@H]1CCSC1 ZINC000278845888 275280312 /nfs/dbraw/zinc/28/03/12/275280312.db2.gz WLVVRONMOQKTQN-GOSISDBHSA-N 2 0 334.529 3.046 20 0 EGADRP COCCSCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000278924576 275288129 /nfs/dbraw/zinc/28/81/29/275288129.db2.gz VJIWLSRUMRZXLK-MJGOQNOKSA-N 2 0 336.545 3.256 20 0 EGADRP COc1ccc([C@H]([NH2+]CCCN2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000283222313 275706205 /nfs/dbraw/zinc/70/62/05/275706205.db2.gz HYEXPNFFLNXBSE-OAQYLSRUSA-N 2 0 345.531 3.152 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1OC ZINC000286368568 275988851 /nfs/dbraw/zinc/98/88/51/275988851.db2.gz ZNZSQLNRYLDCBM-HNNXBMFYSA-N 2 0 334.504 3.406 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)C1 ZINC000286969867 276064719 /nfs/dbraw/zinc/06/47/19/276064719.db2.gz IIGNRTHCXVQRBX-JRGCBEDISA-N 2 0 330.516 3.223 20 0 EGADRP C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000287255274 276101250 /nfs/dbraw/zinc/10/12/50/276101250.db2.gz XNZRITOANBXFII-KRWDZBQOSA-N 2 0 346.519 3.033 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000163571721 276110385 /nfs/dbraw/zinc/11/03/85/276110385.db2.gz OKOFRNCYECGWSU-IBGZPJMESA-N 2 0 326.488 3.429 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000287351012 276110949 /nfs/dbraw/zinc/11/09/49/276110949.db2.gz GULXBPACMPALBV-VNXMGFANSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000287680709 276146845 /nfs/dbraw/zinc/14/68/45/276146845.db2.gz WFKXUXRXYRZJCS-MJUUVYJYSA-N 2 0 330.516 3.428 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178005405 276194787 /nfs/dbraw/zinc/19/47/87/276194787.db2.gz PCFJCEVKHCZHQD-HXUWFJFHSA-N 2 0 329.532 3.416 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122907724 276195538 /nfs/dbraw/zinc/19/55/38/276195538.db2.gz BEMNBRBEPSWTJU-UXHICEINSA-N 2 0 329.532 3.186 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000230246767 276203027 /nfs/dbraw/zinc/20/30/27/276203027.db2.gz NCISLTXGLIKPMC-RYRKJORJSA-N 2 0 349.494 3.186 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000288549258 276226370 /nfs/dbraw/zinc/22/63/70/276226370.db2.gz LKDGTALDQXCDHH-UHFFFAOYSA-N 2 0 338.455 3.183 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000358683075 276300267 /nfs/dbraw/zinc/30/02/67/276300267.db2.gz CUXRDNGOCCSQFU-LFGUQSLTSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccncc1CCC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000289200863 276303651 /nfs/dbraw/zinc/30/36/51/276303651.db2.gz VLHUVHGNEKXWHK-KRWDZBQOSA-N 2 0 333.476 3.312 20 0 EGADRP COc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc(OC)c1O ZINC000289263762 276313172 /nfs/dbraw/zinc/31/31/72/276313172.db2.gz MVZMLTPMXOCXOM-UHFFFAOYSA-N 2 0 336.476 3.011 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3cc4ccccc4s3)CC2)CC1 ZINC000289457874 276342057 /nfs/dbraw/zinc/34/20/57/276342057.db2.gz OAIIZGJTYYJJDM-UHFFFAOYSA-N 2 0 343.540 3.361 20 0 EGADRP C/C(=C\c1ccccc1)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289475777 276344656 /nfs/dbraw/zinc/34/46/56/276344656.db2.gz PZSYECQHLUBNFW-KNTRCKAVSA-N 2 0 327.516 3.049 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Oc2ccccc2)o1 ZINC000289536045 276354279 /nfs/dbraw/zinc/35/42/79/276354279.db2.gz WKCGFLSGXVGCII-UHFFFAOYSA-N 2 0 343.471 3.141 20 0 EGADRP COCCOCc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000289914882 276418362 /nfs/dbraw/zinc/41/83/62/276418362.db2.gz ZDCZIQNCJNCDQV-UHFFFAOYSA-N 2 0 334.504 3.248 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000290288714 276475453 /nfs/dbraw/zinc/47/54/53/276475453.db2.gz MQRVBZYJMPNCPH-AEFFLSMTSA-N 2 0 337.483 3.420 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000291152243 276597731 /nfs/dbraw/zinc/59/77/31/276597731.db2.gz IMJWNXJHUWPIKD-HXUWFJFHSA-N 2 0 340.467 3.500 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000125455822 277026165 /nfs/dbraw/zinc/02/61/65/277026165.db2.gz YQSSJCZFWFXRMU-UHFFFAOYSA-N 2 0 341.499 3.141 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000186567712 277564228 /nfs/dbraw/zinc/56/42/28/277564228.db2.gz VRRSOLPRVDMMSD-GJZGRUSLSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000155137408 278261130 /nfs/dbraw/zinc/26/11/30/278261130.db2.gz REKADRZOMCLRCF-LRDDRELGSA-N 2 0 342.314 3.206 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000362872230 278331854 /nfs/dbraw/zinc/33/18/54/278331854.db2.gz POGMELGPEMQWLL-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000267251358 279137045 /nfs/dbraw/zinc/13/70/45/279137045.db2.gz DEAPTTBEUVBERQ-RBUKOAKNSA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000111090581 279140948 /nfs/dbraw/zinc/14/09/48/279140948.db2.gz PHPSSJNDFAXJFY-HXUWFJFHSA-N 2 0 345.531 3.452 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cc1)C1CC1 ZINC000345891876 279235442 /nfs/dbraw/zinc/23/54/42/279235442.db2.gz SUIOCBKLZGNMNK-WOJBJXKFSA-N 2 0 341.499 3.028 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccsc2S1 ZINC000128335188 280010208 /nfs/dbraw/zinc/01/02/08/280010208.db2.gz UESBWAFWPHIYEU-HOCLYGCPSA-N 2 0 339.574 3.291 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000358104791 280177963 /nfs/dbraw/zinc/17/79/63/280177963.db2.gz MYKORJOJNPGISE-CMKODMSKSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182070784 280332434 /nfs/dbraw/zinc/33/24/34/280332434.db2.gz NCBVGFVRWVAWQM-KSSFIOAISA-N 2 0 341.902 3.402 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000236684725 282072335 /nfs/dbraw/zinc/07/23/35/282072335.db2.gz IXZWRXCONJNHLX-QGZVFWFLSA-N 2 0 345.531 3.442 20 0 EGADRP CSC1(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC[NH+](C)CC1 ZINC000353623586 295583349 /nfs/dbraw/zinc/58/33/49/295583349.db2.gz BJYPSURFMPWROG-INIZCTEOSA-N 2 0 338.492 3.456 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000157043768 298618125 /nfs/dbraw/zinc/61/81/25/298618125.db2.gz LTTIVWBAKJBFRC-SJORKVTESA-N 2 0 333.520 3.150 20 0 EGADRP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+](C2CCC2)C1 ZINC000344769842 300176092 /nfs/dbraw/zinc/17/60/92/300176092.db2.gz IODOKWSCFPRKQW-YLJYHZDGSA-N 2 0 347.547 3.116 20 0 EGADRP [NH3+]CCC[N@@H+](Cc1ccc(Br)cn1)CC1CCCC1 ZINC000352517209 303377778 /nfs/dbraw/zinc/37/77/78/303377778.db2.gz CAOLQOBWAWHFRX-UHFFFAOYSA-N 2 0 326.282 3.185 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000072886687 307382825 /nfs/dbraw/zinc/38/28/25/307382825.db2.gz WCNUWIPDPWVUHV-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413866739 309050636 /nfs/dbraw/zinc/05/06/36/309050636.db2.gz UQUOKQKTIZKKJY-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)N1CC[NH+](C)CC1 ZINC000089701582 307451123 /nfs/dbraw/zinc/45/11/23/307451123.db2.gz NUNAGPHSNFQFPA-SJKOYZFVSA-N 2 0 342.314 3.206 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(F)c1 ZINC000123311187 307538144 /nfs/dbraw/zinc/53/81/44/307538144.db2.gz PUPBYPQSVCMMLJ-UHFFFAOYSA-N 2 0 336.451 3.166 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CCC[NH2+]1 ZINC000134563736 307689920 /nfs/dbraw/zinc/68/99/20/307689920.db2.gz GIUOULCAYGOURB-NRFANRHFSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414175930 309064985 /nfs/dbraw/zinc/06/49/85/309064985.db2.gz ISZXCTKGJIRMKA-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncc(Br)s1 ZINC000414179050 309065154 /nfs/dbraw/zinc/06/51/54/309065154.db2.gz KZWPQZWCMNTBOZ-GHMZBOCLSA-N 2 0 332.311 3.288 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCc2ccccc2)CC1 ZINC000153939259 307784451 /nfs/dbraw/zinc/78/44/51/307784451.db2.gz LMEZGCQXAHYWDP-WOJBJXKFSA-N 2 0 329.532 3.110 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154425662 307794284 /nfs/dbraw/zinc/79/42/84/307794284.db2.gz GRTWVNGJDXOLRD-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414341769 309074018 /nfs/dbraw/zinc/07/40/18/309074018.db2.gz OJIAXIACBFYNBE-INIZCTEOSA-N 2 0 345.531 3.298 20 0 EGADRP CCCOc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000236876255 307944279 /nfs/dbraw/zinc/94/42/79/307944279.db2.gz OSNFVUSLCISSBA-QZTJIDSGSA-N 2 0 334.504 3.454 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000248392470 308001810 /nfs/dbraw/zinc/00/18/10/308001810.db2.gz DDTGGCNYURTGLR-FDFHNCONSA-N 2 0 341.543 3.363 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000248864633 308013662 /nfs/dbraw/zinc/01/36/62/308013662.db2.gz HJEWXOWKZKAKIC-WMZOPIPTSA-N 2 0 334.479 3.431 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000248896608 308014644 /nfs/dbraw/zinc/01/46/44/308014644.db2.gz LSUNMEBIRRUANY-PKOBYXMFSA-N 2 0 346.515 3.276 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292881133 308075695 /nfs/dbraw/zinc/07/56/95/308075695.db2.gz DYAOCFKNHXNMAB-KSSFIOAISA-N 2 0 335.879 3.085 20 0 EGADRP COC(=O)c1cc2cc(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)ccc2o1 ZINC000293007719 308089316 /nfs/dbraw/zinc/08/93/16/308089316.db2.gz PMNVCOLUKXTPFW-FQEVSTJZSA-N 2 0 342.439 3.137 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCN(Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119775 308100960 /nfs/dbraw/zinc/10/09/60/308100960.db2.gz ZBJAMJBZSKHFKM-SFHVURJKSA-N 2 0 346.862 3.308 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC3(C)C)CC2)cc1 ZINC000293651194 308149516 /nfs/dbraw/zinc/14/95/16/308149516.db2.gz INYYBZFBNQSPOT-LJQANCHMSA-N 2 0 332.488 3.064 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293764684 308159925 /nfs/dbraw/zinc/15/99/25/308159925.db2.gz ROINLGGXDAWFND-BJLQDIEVSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293807486 308163541 /nfs/dbraw/zinc/16/35/41/308163541.db2.gz RLBSXRBBGJSZFX-HZPDHXFCSA-N 2 0 343.471 3.168 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H](O)C(C)C ZINC000414530989 309086775 /nfs/dbraw/zinc/08/67/75/309086775.db2.gz RFPZVHMBUJLKDW-CTNGQTDRSA-N 2 0 347.547 3.102 20 0 EGADRP CCn1ccnc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000296045364 308387934 /nfs/dbraw/zinc/38/79/34/308387934.db2.gz QUQVRJXJBDWSRO-QGZVFWFLSA-N 2 0 326.488 3.466 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OCc1ccccc1 ZINC000414658864 309094113 /nfs/dbraw/zinc/09/41/13/309094113.db2.gz KGJMXFZOCJQQBU-LPHOPBHVSA-N 2 0 340.467 3.443 20 0 EGADRP CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000414695400 309095854 /nfs/dbraw/zinc/09/58/54/309095854.db2.gz UPYAZCWUTYIOBN-HOTGVXAUSA-N 2 0 343.471 3.013 20 0 EGADRP Cc1cccc([C@@H]2CCCCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414699178 309096047 /nfs/dbraw/zinc/09/60/47/309096047.db2.gz JMRWRXUMMSZNJU-QUCCMNQESA-N 2 0 343.515 3.109 20 0 EGADRP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414700381 309096135 /nfs/dbraw/zinc/09/61/35/309096135.db2.gz GGZHAHRQICUXBR-AZUAARDMSA-N 2 0 343.515 3.028 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]([NH3+])C1CC1)C1CCCCC1 ZINC000414707599 309096434 /nfs/dbraw/zinc/09/64/34/309096434.db2.gz ICBXODNKLPELBB-GOSISDBHSA-N 2 0 344.503 3.310 20 0 EGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2CCC2CCCCC2)C1 ZINC000414716141 309097087 /nfs/dbraw/zinc/09/70/87/309097087.db2.gz ZJTNLISIPDONDF-OALUTQOASA-N 2 0 335.536 3.009 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718493 309097210 /nfs/dbraw/zinc/09/72/10/309097210.db2.gz ZECHAWQJWIRZHV-IEBWSBKVSA-N 2 0 343.515 3.047 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414738023 309098105 /nfs/dbraw/zinc/09/81/05/309098105.db2.gz AXLVZWAIOMQHCV-JQHSSLGASA-N 2 0 326.488 3.197 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414738087 309098199 /nfs/dbraw/zinc/09/81/99/309098199.db2.gz OGISERHNRRNHCU-AYWYSENESA-N 3 0 329.532 3.047 20 0 EGADRP COc1cccc(C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C2CCC(O)CC2)c1 ZINC000414746077 309098558 /nfs/dbraw/zinc/09/85/58/309098558.db2.gz LPLXTHIJIOWLKJ-HSFDUWRESA-N 2 0 346.515 3.189 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000414755999 309099015 /nfs/dbraw/zinc/09/90/15/309099015.db2.gz IPNQISMUOMZLSU-NEPJUHHUSA-N 2 0 329.257 3.408 20 0 EGADRP Cn1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(-c2ccccc2)n1 ZINC000297557724 308545481 /nfs/dbraw/zinc/54/54/81/308545481.db2.gz GYELHKWETRZAPN-UHFFFAOYSA-N 2 0 347.466 3.241 20 0 EGADRP C[C@@H](O)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000414768321 309099605 /nfs/dbraw/zinc/09/96/05/309099605.db2.gz USBJQHPDLCULQZ-KONPQCLYSA-N 2 0 338.923 3.342 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(C)C ZINC000414779510 309100587 /nfs/dbraw/zinc/10/05/87/309100587.db2.gz KGUMXUYUKKHGEP-MSOLQXFVSA-N 2 0 332.488 3.304 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414780808 309100650 /nfs/dbraw/zinc/10/06/50/309100650.db2.gz LYQFGIZYRXMZHE-UFYCRDLUSA-N 2 0 328.500 3.184 20 0 EGADRP c1cnc(Oc2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414784595 309100932 /nfs/dbraw/zinc/10/09/32/309100932.db2.gz RMNGMJCIGSVXBB-QZTJIDSGSA-N 2 0 338.455 3.090 20 0 EGADRP Brc1ccsc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784453 309101034 /nfs/dbraw/zinc/10/10/34/309101034.db2.gz RHIAFEPCXREWQN-VXGBXAGGSA-N 2 0 329.307 3.332 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414787717 309101121 /nfs/dbraw/zinc/10/11/21/309101121.db2.gz VXLDJJKJICNICF-CABCVRRESA-N 2 0 340.414 3.118 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000414792333 309101662 /nfs/dbraw/zinc/10/16/62/309101662.db2.gz RUEWBWMZHAIPDE-RTWAWAEBSA-N 2 0 337.467 3.077 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)cs1 ZINC000414804202 309102585 /nfs/dbraw/zinc/10/25/85/309102585.db2.gz OJQGYLZHJOTDLT-YJBOKZPZSA-N 2 0 331.485 3.248 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414811562 309102978 /nfs/dbraw/zinc/10/29/78/309102978.db2.gz PSLAFOCVJMIQJS-CYBMUJFWSA-N 2 0 325.884 3.473 20 0 EGADRP COc1c(Br)cccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414815031 309103316 /nfs/dbraw/zinc/10/33/16/309103316.db2.gz ZUXZYCMYZKDDCC-FZMZJTMJSA-N 2 0 327.266 3.065 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414831059 309104353 /nfs/dbraw/zinc/10/43/53/309104353.db2.gz PIMLRPYTHFPXGK-CHWSQXEVSA-N 2 0 343.393 3.012 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414834508 309104553 /nfs/dbraw/zinc/10/45/53/309104553.db2.gz SJQSIRSEQYTQEZ-MRXNPFEDSA-N 2 0 346.496 3.425 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000414838160 309104890 /nfs/dbraw/zinc/10/48/90/309104890.db2.gz KXNOYGSMFRJCDK-HNNXBMFYSA-N 2 0 346.446 3.358 20 0 EGADRP Cc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333628648 308864336 /nfs/dbraw/zinc/86/43/36/308864336.db2.gz GFNVJQJVMSMHJE-FXAWDEMLSA-N 2 0 325.456 3.266 20 0 EGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(C)cc1 ZINC000411438134 308938980 /nfs/dbraw/zinc/93/89/80/308938980.db2.gz MMJLIESPSLRAEG-IBGZPJMESA-N 2 0 331.504 3.025 20 0 EGADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411530812 308942949 /nfs/dbraw/zinc/94/29/49/308942949.db2.gz KGXOABQJDZCJHA-IAGOWNOFSA-N 2 0 332.488 3.350 20 0 EGADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413166327 309019192 /nfs/dbraw/zinc/01/91/92/309019192.db2.gz KFEKTOKKVBZZLD-VQTJNVASSA-N 2 0 341.499 3.029 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2cc1OC ZINC000413191401 309020577 /nfs/dbraw/zinc/02/05/77/309020577.db2.gz GUDRSKDBCBCWND-YOEHRIQHSA-N 2 0 341.455 3.173 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414894778 309107881 /nfs/dbraw/zinc/10/78/81/309107881.db2.gz LVLVDIIXDBRRIZ-ZDUSSCGKSA-N 2 0 331.847 3.419 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000414911562 309108721 /nfs/dbraw/zinc/10/87/21/309108721.db2.gz WKOFPLUCPNVVKU-CQSZACIVSA-N 2 0 346.393 3.258 20 0 EGADRP COC[C@@]1(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCC[NH2+]1 ZINC000414950202 309110964 /nfs/dbraw/zinc/11/09/64/309110964.db2.gz DSZHJWFTQDBRGK-QFIPXVFZSA-N 2 0 338.495 3.199 20 0 EGADRP COC[C@@]1(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000414961518 309111638 /nfs/dbraw/zinc/11/16/38/309111638.db2.gz VKVMOSOXALEHFB-CJNGLKHVSA-N 2 0 330.394 3.167 20 0 EGADRP CC[NH+]1CCN(c2ccccc2CNc2ccc(C[NH2+]C)cc2)CC1 ZINC000414979643 309112634 /nfs/dbraw/zinc/11/26/34/309112634.db2.gz UWMAXLHGAYGGDA-UHFFFAOYSA-N 2 0 338.499 3.160 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414983896 309112826 /nfs/dbraw/zinc/11/28/26/309112826.db2.gz CUCLLSLOLHNCQO-KKNUOHPOSA-N 2 0 328.378 3.233 20 0 EGADRP CCCOc1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cccc1OCC ZINC000415000077 309113578 /nfs/dbraw/zinc/11/35/78/309113578.db2.gz ADNGRWINOGHDHX-ZWKOTPCHSA-N 2 0 332.488 3.352 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415001566 309113589 /nfs/dbraw/zinc/11/35/89/309113589.db2.gz CNHLLYMUDYHDHP-JKSUJKDBSA-N 2 0 328.378 3.105 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000415001007 309113663 /nfs/dbraw/zinc/11/36/63/309113663.db2.gz ULPHTQOYPZNXSS-JSGCOSHPSA-N 2 0 326.868 3.354 20 0 EGADRP COc1ccc(Br)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415003417 309113748 /nfs/dbraw/zinc/11/37/48/309113748.db2.gz XCQXBTBWOSPCDM-YPMHNXCESA-N 2 0 327.266 3.065 20 0 EGADRP COc1ccsc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415005597 309113834 /nfs/dbraw/zinc/11/38/34/309113834.db2.gz PHGVFNWRDXQUGZ-GOEBONIOSA-N 2 0 334.460 3.379 20 0 EGADRP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000415006687 309113871 /nfs/dbraw/zinc/11/38/71/309113871.db2.gz KVSSKYKHRMJRTO-NASSWSRMSA-N 2 0 327.516 3.017 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000415006763 309113991 /nfs/dbraw/zinc/11/39/91/309113991.db2.gz ABTDAGBSSXYLBP-CABCVRRESA-N 2 0 339.911 3.184 20 0 EGADRP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000415014410 309114446 /nfs/dbraw/zinc/11/44/46/309114446.db2.gz XBLRGZKWNPEAJC-VQTJNVASSA-N 2 0 336.483 3.327 20 0 EGADRP c1sc(COc2ccccc2)nc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015030 309114484 /nfs/dbraw/zinc/11/44/84/309114484.db2.gz XSGLAVHIAJXQTH-ZWKOTPCHSA-N 2 0 343.496 3.200 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000415018147 309114630 /nfs/dbraw/zinc/11/46/30/309114630.db2.gz TWPHJBKWJVSIJY-AWEZNQCLSA-N 2 0 337.895 3.052 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415022313 309114823 /nfs/dbraw/zinc/11/48/23/309114823.db2.gz LGVRHUBHIZGAII-SECBINFHSA-N 2 0 337.208 3.268 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc(Cl)c1OC ZINC000415025477 309115073 /nfs/dbraw/zinc/11/50/73/309115073.db2.gz QEBXZDCXMLBVFE-JOCQHMNTSA-N 2 0 326.868 3.212 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(Cl)c1OC ZINC000415028742 309115176 /nfs/dbraw/zinc/11/51/76/309115176.db2.gz ZCONZXIWEYQHBB-JOCQHMNTSA-N 2 0 326.868 3.212 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000415030329 309115336 /nfs/dbraw/zinc/11/53/36/309115336.db2.gz FQBBYOSXSKHDOX-QFBILLFUSA-N 2 0 347.466 3.151 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415034963 309115637 /nfs/dbraw/zinc/11/56/37/309115637.db2.gz INTLRROYPWKNMD-GJZGRUSLSA-N 2 0 331.287 3.283 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415040695 309116013 /nfs/dbraw/zinc/11/60/13/309116013.db2.gz PDNKKACTKGMNIF-FUHWJXTLSA-N 2 0 346.906 3.419 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415041053 309116095 /nfs/dbraw/zinc/11/60/95/309116095.db2.gz PMMHLTVTCIOWJK-JHJVBQTASA-N 2 0 343.393 3.140 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000415044201 309116151 /nfs/dbraw/zinc/11/61/51/309116151.db2.gz APACVIWWZKZBDJ-NRFANRHFSA-N 2 0 338.499 3.116 20 0 EGADRP CC(C)(C)C(=O)N1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415047003 309116350 /nfs/dbraw/zinc/11/63/50/309116350.db2.gz DIIMVLFTNASUKU-GOSISDBHSA-N 2 0 331.504 3.093 20 0 EGADRP Cc1csc(N2CCC([NH2+][C@H](CCC[NH3+])c3ccccc3)CC2)n1 ZINC000415053681 309116823 /nfs/dbraw/zinc/11/68/23/309116823.db2.gz MQRJQGNWPOTGDF-GOSISDBHSA-N 2 0 344.528 3.490 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1-n1ccnc1 ZINC000415087446 309119396 /nfs/dbraw/zinc/11/93/96/309119396.db2.gz UODSDJFAYIYRPK-KBAYOESNSA-N 2 0 328.435 3.022 20 0 EGADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[NH2+]1 ZINC000415090777 309119631 /nfs/dbraw/zinc/11/96/31/309119631.db2.gz ZNSIVDOFDNKVKT-HOCLYGCPSA-N 2 0 329.419 3.491 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]C2CCC([NH3+])CC2)CC1)c1ccccc1 ZINC000415097289 309120118 /nfs/dbraw/zinc/12/01/18/309120118.db2.gz COJAVTHNQLDIBG-AFMYVXGZSA-N 2 0 343.515 3.031 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]C2CCC([NH3+])CC2)CC1)c1ccccc1 ZINC000415097291 309120142 /nfs/dbraw/zinc/12/01/42/309120142.db2.gz COJAVTHNQLDIBG-QLOJAFMTSA-N 2 0 343.515 3.031 20 0 EGADRP CC[C@@H](C[NH2+]CC1CC[NH2+]CC1)Oc1ccccc1C(F)(F)F ZINC000415114318 309121274 /nfs/dbraw/zinc/12/12/74/309121274.db2.gz FWYDRKXUUFEXNL-AWEZNQCLSA-N 2 0 330.394 3.452 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000415122474 309121845 /nfs/dbraw/zinc/12/18/45/309121845.db2.gz IJYBIQWDXKKDPD-DOTOQJQBSA-N 2 0 340.414 3.006 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000415122024 309121932 /nfs/dbraw/zinc/12/19/32/309121932.db2.gz HYFWOJWGNHMUOZ-VQIMIIECSA-N 2 0 325.456 3.077 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415131082 309122649 /nfs/dbraw/zinc/12/26/49/309122649.db2.gz RVXRSTHOKUXRTR-VQTJNVASSA-N 2 0 332.488 3.192 20 0 EGADRP CC[C@](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415139683 309123322 /nfs/dbraw/zinc/12/33/22/309123322.db2.gz MBBCJHALJHOXJE-RCLSDMTESA-N 2 0 344.499 3.018 20 0 EGADRP CC[NH2+]CC1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000415792663 309143994 /nfs/dbraw/zinc/14/39/94/309143994.db2.gz SMDSXLCRTDXGKY-LJQANCHMSA-N 2 0 344.503 3.089 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)ccc21 ZINC000415795832 309144051 /nfs/dbraw/zinc/14/40/51/309144051.db2.gz XOIRKRINSVXRAC-OALUTQOASA-N 2 0 344.503 3.265 20 0 EGADRP C[NH2+]CCC1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000415797259 309144067 /nfs/dbraw/zinc/14/40/67/309144067.db2.gz ZTBHQUXHIBOGBZ-LJQANCHMSA-N 2 0 344.503 3.089 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000415910672 309147740 /nfs/dbraw/zinc/14/77/40/309147740.db2.gz WCMKJQNDAAZAEM-QGZVFWFLSA-N 2 0 334.508 3.284 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000415921015 309148671 /nfs/dbraw/zinc/14/86/71/309148671.db2.gz LJBHICWSLOQTKR-KRWDZBQOSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000415923466 309148973 /nfs/dbraw/zinc/14/89/73/309148973.db2.gz VDYMPFAVYSWPEU-GOSISDBHSA-N 2 0 344.503 3.136 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000415981836 309152625 /nfs/dbraw/zinc/15/26/25/309152625.db2.gz WMJWWSMODYIRFM-IBGZPJMESA-N 2 0 344.503 3.312 20 0 EGADRP C[C@@H](CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000416196654 309163359 /nfs/dbraw/zinc/16/33/59/309163359.db2.gz HLZSDYNBOHBGGS-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417310567 309201201 /nfs/dbraw/zinc/20/12/01/309201201.db2.gz KLEMNMWKCGKQFM-XWTMOSNGSA-N 2 0 335.561 3.103 20 0 EGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417837064 309224503 /nfs/dbraw/zinc/22/45/03/309224503.db2.gz PJYQXEZUMMJOII-RTBURBONSA-N 2 0 339.483 3.091 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420305331 309280730 /nfs/dbraw/zinc/28/07/30/309280730.db2.gz YVCHTDFYXIPMLU-ZDUSSCGKSA-N 2 0 330.428 3.169 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)CCC2)c1 ZINC000420316180 309281680 /nfs/dbraw/zinc/28/16/80/309281680.db2.gz LLJIWAPDFGLWBI-AEFFLSMTSA-N 2 0 332.488 3.051 20 0 EGADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000420320821 309281996 /nfs/dbraw/zinc/28/19/96/309281996.db2.gz BYXDHWYMZCHGTN-RYUDHWBXSA-N 2 0 333.423 3.292 20 0 EGADRP c1ccc2c(c1)CCN2CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420320890 309282213 /nfs/dbraw/zinc/28/22/13/309282213.db2.gz QRGLHIIWDUIAPK-SFHVURJKSA-N 2 0 327.516 3.151 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000420330765 309282632 /nfs/dbraw/zinc/28/26/32/309282632.db2.gz BRQKLIKDVXZKLD-LPHOPBHVSA-N 2 0 329.488 3.094 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333064 309282886 /nfs/dbraw/zinc/28/28/86/309282886.db2.gz DZRJPABEGAOJSZ-DYVFJYSZSA-N 2 0 335.879 3.131 20 0 EGADRP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420337855 309283074 /nfs/dbraw/zinc/28/30/74/309283074.db2.gz XHOKUPHYQLDNNH-UONOGXRCSA-N 2 0 326.843 3.179 20 0 EGADRP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420344160 309283336 /nfs/dbraw/zinc/28/33/36/309283336.db2.gz SGQYTDIHSVYVIE-HDICACEKSA-N 2 0 340.471 3.291 20 0 EGADRP Clc1ccc(-c2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)on2)cc1 ZINC000420343856 309283449 /nfs/dbraw/zinc/28/34/49/309283449.db2.gz RVLDXWOCQFTPAN-GASCZTMLSA-N 2 0 331.847 3.426 20 0 EGADRP FC(F)(F)c1csc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420359854 309284020 /nfs/dbraw/zinc/28/40/20/309284020.db2.gz KYDCVLSUOXAVDH-VXGBXAGGSA-N 2 0 333.423 3.341 20 0 EGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420370883 309284948 /nfs/dbraw/zinc/28/49/48/309284948.db2.gz CZGITFHBGQHMTO-HNAYVOBHSA-N 2 0 341.503 3.432 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000420396968 309286427 /nfs/dbraw/zinc/28/64/27/309286427.db2.gz FNZKVHNPVVVFAI-QFBILLFUSA-N 2 0 337.467 3.356 20 0 EGADRP C[NH2+]CCC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420406052 309286802 /nfs/dbraw/zinc/28/68/02/309286802.db2.gz NJFYNUFPQZAWOM-IRXDYDNUSA-N 2 0 327.875 3.202 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000420413099 309287080 /nfs/dbraw/zinc/28/70/80/309287080.db2.gz ZRAGIXFKUYRUTB-WMLDXEAASA-N 2 0 335.879 3.133 20 0 EGADRP Cc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000421367577 309320793 /nfs/dbraw/zinc/32/07/93/309320793.db2.gz FHGWEFFXOUTGED-UHFFFAOYSA-N 2 0 326.488 3.358 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+]2C)cc1)C(C)C ZINC000421708017 309335941 /nfs/dbraw/zinc/33/59/41/309335941.db2.gz YWKQPOIPBGWXJZ-LJQANCHMSA-N 2 0 331.504 3.083 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCc3cccnc3CC2)c1 ZINC000421820092 309341417 /nfs/dbraw/zinc/34/14/17/309341417.db2.gz KPPJQHRGEGSTDF-IBGZPJMESA-N 2 0 339.483 3.059 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422713383 309364339 /nfs/dbraw/zinc/36/43/39/309364339.db2.gz JORIZGJVZNTIEK-CEMLEFRQSA-N 2 0 343.559 3.451 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC1CCCC1 ZINC000422717794 309364682 /nfs/dbraw/zinc/36/46/82/309364682.db2.gz WENUFTQFJMXGMF-QAPCUYQASA-N 2 0 332.488 3.494 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccccc2)C2CCC2)CC[NH2+]CC1 ZINC000422719352 309364941 /nfs/dbraw/zinc/36/49/41/309364941.db2.gz QVMOALCLLZAZEH-VQIMIIECSA-N 2 0 344.499 3.439 20 0 EGADRP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422725612 309365176 /nfs/dbraw/zinc/36/51/76/309365176.db2.gz CAUMAQNCMWEYDF-UXHICEINSA-N 2 0 329.532 3.191 20 0 EGADRP C[C@@H](N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726593 309365224 /nfs/dbraw/zinc/36/52/24/309365224.db2.gz FLRWSUOUUIYQJZ-XYPHTWIQSA-N 2 0 341.421 3.010 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422726603 309365368 /nfs/dbraw/zinc/36/53/68/309365368.db2.gz FMYOODYQCAMENG-RRFJBIMHSA-N 2 0 326.444 3.110 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)c2cccs2)CC1 ZINC000422747365 309366172 /nfs/dbraw/zinc/36/61/72/309366172.db2.gz PYZOIUCBIJAUJU-RCCFBDPRSA-N 2 0 335.561 3.499 20 0 EGADRP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422744558 309366204 /nfs/dbraw/zinc/36/62/04/309366204.db2.gz WGVVZZQLYURIBC-GUDVDZBRSA-N 2 0 332.488 3.112 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422750429 309366407 /nfs/dbraw/zinc/36/64/07/309366407.db2.gz DEFWIFIRFLDSHP-KSZLIROESA-N 2 0 326.488 3.245 20 0 EGADRP CC(C)c1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422753996 309366592 /nfs/dbraw/zinc/36/65/92/309366592.db2.gz FQAGSIDCVDFMSU-NJDAHSKKSA-N 2 0 330.516 3.489 20 0 EGADRP C[C@H]([NH2+]C1(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422765913 309367162 /nfs/dbraw/zinc/36/71/62/309367162.db2.gz PVGUMCCIJYNOQZ-BJLQDIEVSA-N 2 0 345.531 3.007 20 0 EGADRP COc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C ZINC000422764816 309367180 /nfs/dbraw/zinc/36/71/80/309367180.db2.gz QKYHMUDYWRHJBI-NQIIRXRSSA-N 2 0 338.451 3.349 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422784060 309367993 /nfs/dbraw/zinc/36/79/93/309367993.db2.gz PEGMHIKTIQPLES-ZYSHUDEJSA-N 2 0 326.440 3.321 20 0 EGADRP CCCC[NH+]1CCC(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422794739 309368689 /nfs/dbraw/zinc/36/86/89/309368689.db2.gz ZEVLZOFXYDTPDC-TZIWHRDSSA-N 2 0 343.515 3.096 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000422813371 309369926 /nfs/dbraw/zinc/36/99/26/309369926.db2.gz RRASIZGJKAAKJD-HUUCEWRRSA-N 2 0 335.455 3.446 20 0 EGADRP FC(F)(F)COCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422819435 309370175 /nfs/dbraw/zinc/37/01/75/309370175.db2.gz IFBTUHWLBGFWQG-XYPWUTKMSA-N 2 0 328.378 3.138 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422832558 309370853 /nfs/dbraw/zinc/37/08/53/309370853.db2.gz XYOJIYODJHVVOQ-FGTMMUONSA-N 2 0 344.499 3.246 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1Br ZINC000422839195 309371292 /nfs/dbraw/zinc/37/12/92/309371292.db2.gz PUPOUSLFIPSDCC-UMVBOHGHSA-N 2 0 341.293 3.194 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422839170 309371377 /nfs/dbraw/zinc/37/13/77/309371377.db2.gz PSASTFIHGCMKBH-GFCCVEGCSA-N 2 0 326.419 3.362 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422839665 309371431 /nfs/dbraw/zinc/37/14/31/309371431.db2.gz ABWFXOXOZDZQTB-ZQIUZPCESA-N 2 0 338.442 3.119 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000422839264 309371434 /nfs/dbraw/zinc/37/14/34/309371434.db2.gz ZODVLLIOGPQYGX-XLIONFOSSA-N 2 0 338.499 3.164 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422859344 309372412 /nfs/dbraw/zinc/37/24/12/309372412.db2.gz JUXDESFOICQSHZ-LVCYWYKZSA-N 3 0 329.532 3.396 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867133 309372678 /nfs/dbraw/zinc/37/26/78/309372678.db2.gz RPHDWSOLSIHEBE-CWFSZBLJSA-N 2 0 326.440 3.321 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422870801 309372817 /nfs/dbraw/zinc/37/28/17/309372817.db2.gz CHDBRKLLHKYXBD-QXAKKESOSA-N 2 0 332.488 3.160 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422876914 309373511 /nfs/dbraw/zinc/37/35/11/309373511.db2.gz GRUZWOVOBGVFQH-PKOBYXMFSA-N 2 0 330.520 3.472 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1C ZINC000422878324 309373568 /nfs/dbraw/zinc/37/35/68/309373568.db2.gz IZIDXXKCMUUTJM-INIZCTEOSA-N 2 0 326.488 3.334 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882947 309373750 /nfs/dbraw/zinc/37/37/50/309373750.db2.gz PQUXZBBZCVXFCX-HDAAZOAOSA-N 3 0 331.548 3.293 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000422881993 309373770 /nfs/dbraw/zinc/37/37/70/309373770.db2.gz OPBGIMALGGMLGL-LZWOXQAQSA-N 2 0 330.476 3.009 20 0 EGADRP CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422883040 309373919 /nfs/dbraw/zinc/37/39/19/309373919.db2.gz UCVLKZVSQCYKSW-QFBILLFUSA-N 2 0 346.519 3.111 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422894999 309374835 /nfs/dbraw/zinc/37/48/35/309374835.db2.gz UVUQNXMZGIJRSI-APWZRJJASA-N 2 0 341.430 3.295 20 0 EGADRP CCCCOc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422896362 309374881 /nfs/dbraw/zinc/37/48/81/309374881.db2.gz XXNPMOCEIFZYKY-HSALFYBXSA-N 2 0 332.488 3.112 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912129 309375729 /nfs/dbraw/zinc/37/57/29/309375729.db2.gz VMVIXDYATQHORY-WBVHZDCISA-N 2 0 332.536 3.400 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000422910524 309375771 /nfs/dbraw/zinc/37/57/71/309375771.db2.gz QXRJPZSDOWNHMD-JKSUJKDBSA-N 2 0 326.488 3.020 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422924987 309376504 /nfs/dbraw/zinc/37/65/04/309376504.db2.gz ZOSITAFHUBPTBQ-SLEUVZQESA-N 2 0 328.859 3.099 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422939014 309377108 /nfs/dbraw/zinc/37/71/08/309377108.db2.gz FKCFHMPEGGQBTJ-SKDRFNHKSA-N 2 0 349.219 3.268 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422939006 309377146 /nfs/dbraw/zinc/37/71/46/309377146.db2.gz FKCFHMPEGGQBTJ-BXKDBHETSA-N 2 0 349.219 3.268 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1OC1CCCC1 ZINC000422940882 309377375 /nfs/dbraw/zinc/37/73/75/309377375.db2.gz NQJPXKVFWQBALR-YJBOKZPZSA-N 2 0 332.488 3.494 20 0 EGADRP CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422977599 309379268 /nfs/dbraw/zinc/37/92/68/309379268.db2.gz FYLUONVGFUKTMZ-CDHQVMDDSA-N 2 0 332.488 3.363 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422978084 309379315 /nfs/dbraw/zinc/37/93/15/309379315.db2.gz GUZOUBPKRVYBOW-ZFWWWQNUSA-N 2 0 334.851 3.040 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000422987469 309379629 /nfs/dbraw/zinc/37/96/29/309379629.db2.gz IOZUAGPRFLDJBY-WSTLGDPDSA-N 2 0 330.472 3.036 20 0 EGADRP COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423004367 309380334 /nfs/dbraw/zinc/38/03/34/309380334.db2.gz OTZZKFPCTNWUAO-AWEZNQCLSA-N 2 0 327.472 3.486 20 0 EGADRP CCOCCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423006274 309380652 /nfs/dbraw/zinc/38/06/52/309380652.db2.gz UVSOQAUHMCLGOY-FXAWDEMLSA-N 2 0 330.472 3.039 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423010743 309380844 /nfs/dbraw/zinc/38/08/44/309380844.db2.gz HKMWPOSZJUMDOQ-HUUCEWRRSA-N 2 0 327.472 3.387 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423019356 309381464 /nfs/dbraw/zinc/38/14/64/309381464.db2.gz VJQZAWSYRKMKTP-OXIQGZBJSA-N 2 0 329.282 3.241 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423024930 309381484 /nfs/dbraw/zinc/38/14/84/309381484.db2.gz KFQQKFOHBKQBFG-WBMJQRKESA-N 2 0 331.287 3.488 20 0 EGADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022482 309381551 /nfs/dbraw/zinc/38/15/51/309381551.db2.gz HTBKJNOQPHJDDH-CSBKYJRVSA-N 2 0 339.886 3.202 20 0 EGADRP Brc1ccc2[nH]cc(CC[NH2+][C@H]3CCC[NH2+]CC3)c2c1 ZINC000423027335 309381832 /nfs/dbraw/zinc/38/18/32/309381832.db2.gz DASQZTGEOAPBNX-AWEZNQCLSA-N 2 0 336.277 3.205 20 0 EGADRP COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423033925 309382246 /nfs/dbraw/zinc/38/22/46/309382246.db2.gz ZXXWZCCTVSGHJA-GJZGRUSLSA-N 2 0 343.471 3.223 20 0 EGADRP CC[C@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423043850 309382634 /nfs/dbraw/zinc/38/26/34/309382634.db2.gz ADDRQSIRQSVRHR-ULQDDVLXSA-N 2 0 343.437 3.428 20 0 EGADRP C[C@@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000423046186 309382858 /nfs/dbraw/zinc/38/28/58/309382858.db2.gz FBRBITHZEMCEFE-KBRIMQKVSA-N 2 0 343.437 3.428 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423049468 309383019 /nfs/dbraw/zinc/38/30/19/309383019.db2.gz XRWWHUMEDJYSNI-XHDPSFHLSA-N 2 0 344.286 3.206 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000423051083 309383123 /nfs/dbraw/zinc/38/31/23/309383123.db2.gz ZVCIKOIMEABYIG-RUXDESIVSA-N 2 0 325.859 3.165 20 0 EGADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423050986 309383194 /nfs/dbraw/zinc/38/31/94/309383194.db2.gz MQHAPOXRNARKRI-QIJZPMMNSA-N 2 0 344.499 3.426 20 0 EGADRP Cn1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000423050125 309383200 /nfs/dbraw/zinc/38/32/00/309383200.db2.gz KULCSJXGQRATLZ-CGTJXYLNSA-N 2 0 326.488 3.016 20 0 EGADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423080840 309384835 /nfs/dbraw/zinc/38/48/35/309384835.db2.gz ASBYKQFXAXQDLW-QDGKJQRMSA-N 2 0 332.463 3.209 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423081098 309385063 /nfs/dbraw/zinc/38/50/63/309385063.db2.gz BDNGDQGTUXTGDC-RCZSKKKRSA-N 2 0 337.511 3.451 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000423090383 309385300 /nfs/dbraw/zinc/38/53/00/309385300.db2.gz VKCLIDJLEZNSBR-HZPDHXFCSA-N 2 0 342.487 3.021 20 0 EGADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423094328 309385561 /nfs/dbraw/zinc/38/55/61/309385561.db2.gz JXISGLKNOYDGFT-MTEHYEEQSA-N 2 0 332.463 3.209 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000423130317 309387495 /nfs/dbraw/zinc/38/74/95/309387495.db2.gz RRZUPSXBFISSRG-HOTGVXAUSA-N 2 0 327.472 3.495 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000423148106 309388355 /nfs/dbraw/zinc/38/83/55/309388355.db2.gz UIMKIRPEMHECPU-YZGWKJHDSA-N 2 0 328.500 3.082 20 0 EGADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423162907 309388814 /nfs/dbraw/zinc/38/88/14/309388814.db2.gz UUNJVQMQHRCZTN-IAOVAPTHSA-N 2 0 326.843 3.368 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC([NH3+])CC1 ZINC000423228838 309391413 /nfs/dbraw/zinc/39/14/13/309391413.db2.gz FKTPXXFJIYCKFL-GWMXKSKGSA-N 2 0 329.257 3.379 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423249253 309392206 /nfs/dbraw/zinc/39/22/06/309392206.db2.gz OIGDIJCXYGTIAZ-WMZOPIPTSA-N 2 0 326.488 3.448 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423250922 309392366 /nfs/dbraw/zinc/39/23/66/309392366.db2.gz RFQDCRDANRWMGS-QESAQDPVSA-N 3 0 341.543 3.266 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423255488 309392567 /nfs/dbraw/zinc/39/25/67/309392567.db2.gz AFUDWMHSOATSHI-AZUAARDMSA-N 3 0 329.532 3.061 20 0 EGADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000423304517 309394652 /nfs/dbraw/zinc/39/46/52/309394652.db2.gz OHIDABFSPBUHTB-OTYXRUKQSA-N 2 0 327.291 3.041 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423313594 309394762 /nfs/dbraw/zinc/39/47/62/309394762.db2.gz WZLHLPRYBOSWFM-DOTOQJQBSA-N 2 0 345.512 3.193 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000423316612 309394994 /nfs/dbraw/zinc/39/49/94/309394994.db2.gz AFNKYXBUQFPLLH-FXAWDEMLSA-N 2 0 345.531 3.154 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Br ZINC000423321998 309395174 /nfs/dbraw/zinc/39/51/74/309395174.db2.gz GSRLGYHTWCFPNR-LBPRGKRZSA-N 2 0 341.293 3.498 20 0 EGADRP COCCC[C@H]([NH2+]CCCC[NH3+])c1ccc(Br)cc1 ZINC000423327932 309395408 /nfs/dbraw/zinc/39/54/08/309395408.db2.gz NJCPAXITDXWJOA-HNNXBMFYSA-N 2 0 329.282 3.245 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000423326437 309395387 /nfs/dbraw/zinc/39/53/87/309395387.db2.gz KNDPSQXMMYNPMQ-PXAZEXFGSA-N 2 0 328.403 3.337 20 0 EGADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423362343 309396981 /nfs/dbraw/zinc/39/69/81/309396981.db2.gz SSJQWLUGQWEXCO-YGRLFVJLSA-N 2 0 327.241 3.307 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423381725 309398031 /nfs/dbraw/zinc/39/80/31/309398031.db2.gz NXZWCZCRAGLTIQ-QNDFHXLGSA-N 2 0 327.516 3.160 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423393965 309398367 /nfs/dbraw/zinc/39/83/67/309398367.db2.gz ZBTPZTMDNAVDSO-JTNHKYCSSA-N 2 0 329.257 3.249 20 0 EGADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000423396861 309398634 /nfs/dbraw/zinc/39/86/34/309398634.db2.gz BOFAJLGKELVIFW-IBGZPJMESA-N 2 0 347.503 3.253 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@@H](C)[NH3+] ZINC000423402912 309398732 /nfs/dbraw/zinc/39/87/32/309398732.db2.gz HJWHPEDZDBCJKQ-ZIFCJYIRSA-N 2 0 345.531 3.386 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423400534 309398758 /nfs/dbraw/zinc/39/87/58/309398758.db2.gz VSYMQOZMUHGLAS-NRFANRHFSA-N 2 0 347.466 3.111 20 0 EGADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423402724 309398794 /nfs/dbraw/zinc/39/87/94/309398794.db2.gz HBTHQQMDMHTHPJ-MRXNPFEDSA-N 2 0 340.895 3.406 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cnn(Cc2ccccc2)c1 ZINC000423415238 309399217 /nfs/dbraw/zinc/39/92/17/309399217.db2.gz AGOVTTMLOSLUKQ-KZNAEPCWSA-N 2 0 326.488 3.347 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000423422636 309399728 /nfs/dbraw/zinc/39/97/28/309399728.db2.gz BSOISUIGUDQUSE-WKPIXPDZSA-N 2 0 328.378 3.466 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423458237 309401015 /nfs/dbraw/zinc/40/10/15/309401015.db2.gz PVQXUYSFEKBCDO-LMMKCTJWSA-N 2 0 349.906 3.028 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423459901 309401017 /nfs/dbraw/zinc/40/10/17/309401017.db2.gz AGCZWFMQHJVPAG-RGCFKVTRSA-N 2 0 330.472 3.275 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423505050 309403550 /nfs/dbraw/zinc/40/35/50/309403550.db2.gz HBOMAXOZGDQZDX-YCZSINBZSA-N 2 0 341.543 3.375 20 0 EGADRP c1cc(COc2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2)ccn1 ZINC000430953609 309621913 /nfs/dbraw/zinc/62/19/13/309621913.db2.gz UETBBQXYRXUNJR-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Br ZINC000430951063 309621959 /nfs/dbraw/zinc/62/19/59/309621959.db2.gz KEVNBOFOWWALMX-UHFFFAOYSA-N 2 0 339.277 3.033 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432253583 309655849 /nfs/dbraw/zinc/65/58/49/309655849.db2.gz OEUFRRNWLUAZTI-UHFFFAOYSA-N 2 0 349.277 3.457 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)[C@@H]1CCc2ccccc21 ZINC000433129504 309679580 /nfs/dbraw/zinc/67/95/80/309679580.db2.gz DMROIYNACLVSFT-HXUWFJFHSA-N 2 0 343.515 3.116 20 0 EGADRP C[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000437713183 309797944 /nfs/dbraw/zinc/79/79/44/309797944.db2.gz FXLYFYJWYCBTOC-KRWDZBQOSA-N 2 0 334.479 3.364 20 0 EGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447600916 309983986 /nfs/dbraw/zinc/98/39/86/309983986.db2.gz NPBVQXUYADMVOJ-CQSZACIVSA-N 2 0 333.501 3.347 20 0 EGADRP COc1cc2ccccc2cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000449029622 310030783 /nfs/dbraw/zinc/03/07/83/310030783.db2.gz QZVKVXIYAQEFPX-UHFFFAOYSA-N 2 0 342.483 3.391 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)Cc1coc2ccccc12)N1CC[NH+](C)CC1 ZINC000449074296 310035045 /nfs/dbraw/zinc/03/50/45/310035045.db2.gz KGFXMAJOGYLNCH-YLJYHZDGSA-N 2 0 343.515 3.225 20 0 EGADRP COc1cccc2c(C[NH2+]CCCC[NH+]3CCOCC3)cccc12 ZINC000449081928 310035485 /nfs/dbraw/zinc/03/54/85/310035485.db2.gz IZIJLCDPTLJQQH-UHFFFAOYSA-N 2 0 328.456 3.050 20 0 EGADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000449087348 310035973 /nfs/dbraw/zinc/03/59/73/310035973.db2.gz GDRHDSFUQNWQJD-HNNXBMFYSA-N 2 0 330.451 3.048 20 0 EGADRP CC(C)COc1ccccc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000449131292 310039291 /nfs/dbraw/zinc/03/92/91/310039291.db2.gz LMLWPLRJTGEWJJ-UHFFFAOYSA-N 2 0 347.547 3.085 20 0 EGADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000449177023 310042436 /nfs/dbraw/zinc/04/24/36/310042436.db2.gz OGZFBCOZXZCDBD-NUJGCVRESA-N 2 0 337.552 3.027 20 0 EGADRP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc(F)cc2)n1 ZINC000449178191 310042589 /nfs/dbraw/zinc/04/25/89/310042589.db2.gz WWFKDIPOAVTMON-ZWKOTPCHSA-N 2 0 330.451 3.189 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)ccn1 ZINC000449400380 310058975 /nfs/dbraw/zinc/05/89/75/310058975.db2.gz BGCAJGNJTLVPOG-UHFFFAOYSA-N 2 0 338.499 3.210 20 0 EGADRP CC(C)n1cc(C2=CCC[N@@H+](C3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000449475242 310065301 /nfs/dbraw/zinc/06/53/01/310065301.db2.gz WSXSQYVXJJTHLS-UHFFFAOYSA-N 2 0 331.508 3.211 20 0 EGADRP FCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000449488022 310066242 /nfs/dbraw/zinc/06/62/42/310066242.db2.gz BUTGMAVSGKURBE-SLFFLAALSA-N 2 0 346.490 3.253 20 0 EGADRP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000449578355 310073384 /nfs/dbraw/zinc/07/33/84/310073384.db2.gz KYQDZHFEGQRDFH-ADAARDCZSA-N 2 0 328.500 3.038 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449592868 310074329 /nfs/dbraw/zinc/07/43/29/310074329.db2.gz ZDBZBULGJZBXAJ-FFGOWVMKSA-N 2 0 344.499 3.218 20 0 EGADRP CC(C)Oc1ccc2[nH+]ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000450828892 310144511 /nfs/dbraw/zinc/14/45/11/310144511.db2.gz NZPCPJPQYJAIGV-MQVJKMGUSA-N 2 0 325.456 3.481 20 0 EGADRP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453056037 310254715 /nfs/dbraw/zinc/25/47/15/310254715.db2.gz KOCGQNKAFUCZLD-PCCBWWKXSA-N 2 0 338.499 3.306 20 0 EGADRP COCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453095498 310257578 /nfs/dbraw/zinc/25/75/78/310257578.db2.gz SQDWEIFCTHJONS-PWRODBHTSA-N 2 0 346.515 3.072 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453098141 310257763 /nfs/dbraw/zinc/25/77/63/310257763.db2.gz ZVRWWOPQIJIEDB-NJYVYQBISA-N 2 0 338.499 3.224 20 0 EGADRP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)COC1 ZINC000453389745 310274227 /nfs/dbraw/zinc/27/42/27/310274227.db2.gz XOBKCAJVWPBNGF-XUVXKRRUSA-N 2 0 328.500 3.446 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)nnn1-c1ccccc1 ZINC000453406451 310275379 /nfs/dbraw/zinc/27/53/79/310275379.db2.gz QYZINVYHSHJLLB-OAHLLOKOSA-N 2 0 327.476 3.101 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(C)c1 ZINC000453419988 310276192 /nfs/dbraw/zinc/27/61/92/310276192.db2.gz JYXKBSLCAGWNAG-QGZVFWFLSA-N 2 0 331.504 3.485 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CN(Cc2ccccc2)C1 ZINC000453590193 310283101 /nfs/dbraw/zinc/28/31/01/310283101.db2.gz AYMWJHCFBYBFTM-AZUAARDMSA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCOC(C)(C)CC)CC1 ZINC000453621626 310285146 /nfs/dbraw/zinc/28/51/46/310285146.db2.gz XFRKVTDTAMQNNA-UHFFFAOYSA-N 2 0 333.520 3.123 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000454308782 310302654 /nfs/dbraw/zinc/30/26/54/310302654.db2.gz BPEDNDHEKXKIEE-DNVCBOLYSA-N 2 0 344.503 3.231 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000454308784 310302686 /nfs/dbraw/zinc/30/26/86/310302686.db2.gz BPEDNDHEKXKIEE-HNAYVOBHSA-N 2 0 344.503 3.231 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455936481 310382798 /nfs/dbraw/zinc/38/27/98/310382798.db2.gz RZFZSOORVDXKTF-IEBWSBKVSA-N 2 0 344.503 3.184 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000459574306 310561909 /nfs/dbraw/zinc/56/19/09/310561909.db2.gz XXSGEFYFMOECLS-UHFFFAOYSA-N 2 0 347.890 3.398 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000480024997 310888142 /nfs/dbraw/zinc/88/81/42/310888142.db2.gz LGWVHLKAWSBUEK-UHFFFAOYSA-N 2 0 332.488 3.463 20 0 EGADRP CC[C@@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)[NH+](CC)CC ZINC000480045892 310888416 /nfs/dbraw/zinc/88/84/16/310888416.db2.gz PRUGYQPJHAFWOC-KRWDZBQOSA-N 2 0 325.541 3.268 20 0 EGADRP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000481009448 310904317 /nfs/dbraw/zinc/90/43/17/310904317.db2.gz BDDGBLLETVBVKE-OALUTQOASA-N 2 0 338.923 3.344 20 0 EGADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000481250175 310909433 /nfs/dbraw/zinc/90/94/33/310909433.db2.gz BFKFACICNXVOTD-MISYRCLQSA-N 2 0 344.547 3.384 20 0 EGADRP CC[N@H+](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000488365409 311062575 /nfs/dbraw/zinc/06/25/75/311062575.db2.gz XHVIHAKUVVQJTQ-KRWDZBQOSA-N 2 0 343.515 3.251 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)cc1)C1CC1 ZINC000489309785 311099195 /nfs/dbraw/zinc/09/91/95/311099195.db2.gz ZQLPUDVERMZNPH-HXUWFJFHSA-N 2 0 343.515 3.083 20 0 EGADRP CCC[N@H+](CCCn1ccnc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490083509 311132713 /nfs/dbraw/zinc/13/27/13/311132713.db2.gz CEOUBXAFRMPVCY-KRWDZBQOSA-N 2 0 328.460 3.321 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496714458 311754083 /nfs/dbraw/zinc/75/40/83/311754083.db2.gz AKXNGJJPLGQZBW-OWCLPIDISA-N 2 0 327.513 3.272 20 0 EGADRP Cc1ccc(F)c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512184309 312178033 /nfs/dbraw/zinc/17/80/33/312178033.db2.gz XHGXTQVCDJXEJL-IRXDYDNUSA-N 2 0 334.479 3.455 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000512677883 312192035 /nfs/dbraw/zinc/19/20/35/312192035.db2.gz MMEFBOUSLZOUSX-KIZRIRGWSA-N 2 0 341.543 3.281 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000513713575 312215951 /nfs/dbraw/zinc/21/59/51/312215951.db2.gz QGGLRMGSIIRSIG-HNNXBMFYSA-N 2 0 340.458 3.111 20 0 EGADRP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)cn2)C[C@H](C)O1 ZINC000515346323 312277832 /nfs/dbraw/zinc/27/78/32/312277832.db2.gz GVWBHRHQRRXZIR-GTYSZEQSSA-N 2 0 338.455 3.252 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000515385752 312280452 /nfs/dbraw/zinc/28/04/52/312280452.db2.gz ALVFIODBOZCESO-YZGWKJHDSA-N 2 0 349.563 3.397 20 0 EGADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000516179442 312312943 /nfs/dbraw/zinc/31/29/43/312312943.db2.gz RPVTZMHKZMCNEN-QZTJIDSGSA-N 2 0 336.520 3.053 20 0 EGADRP COc1ccc2ccccc2c1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000516874140 312347496 /nfs/dbraw/zinc/34/74/96/312347496.db2.gz MDEYZKQLINVTBT-UHFFFAOYSA-N 2 0 343.515 3.164 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000526974487 312810455 /nfs/dbraw/zinc/81/04/55/312810455.db2.gz GSGIIIDLCPWBAE-SJORKVTESA-N 2 0 337.939 3.449 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527865037 312961002 /nfs/dbraw/zinc/96/10/02/312961002.db2.gz LQXFNCMHRCULRK-GOSISDBHSA-N 2 0 339.886 3.082 20 0 EGADRP COCCC1CC[NH+](C/C=C/C[NH+]2CCC(CCOC)CC2)CC1 ZINC000528578584 313122985 /nfs/dbraw/zinc/12/29/85/313122985.db2.gz ZESNGOLEUPIGSB-ONEGZZNKSA-N 2 0 338.536 3.040 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000530242695 313503998 /nfs/dbraw/zinc/50/39/98/313503998.db2.gz CPHGZRACTRXVBI-SECBINFHSA-N 2 0 333.220 3.378 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000534973135 314009187 /nfs/dbraw/zinc/00/91/87/314009187.db2.gz LHDMRZQJDXDQGV-DNVCBOLYSA-N 2 0 335.923 3.191 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536499442 314118047 /nfs/dbraw/zinc/11/80/47/314118047.db2.gz ZDHGRSNACFNOCX-HNAYVOBHSA-N 2 0 335.923 3.333 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N(CC)CC)nc2)[C@@H](C)C1 ZINC000537455261 314182311 /nfs/dbraw/zinc/18/23/11/314182311.db2.gz BPROTGPKNGJDFC-HKUYNNGSSA-N 2 0 348.535 3.477 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC(C)C)C2)[C@@H](C)C1 ZINC000537478705 314183762 /nfs/dbraw/zinc/18/37/62/314183762.db2.gz ZWHYTSKPDCFCRR-NMLBUPMWSA-N 2 0 340.552 3.307 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000537919037 314217068 /nfs/dbraw/zinc/21/70/68/314217068.db2.gz CGYOYHVNNZJCSJ-FUHWJXTLSA-N 2 0 344.499 3.199 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537939229 314218014 /nfs/dbraw/zinc/21/80/14/314218014.db2.gz IIZNNKKMQOXRFM-UKAVVXHISA-N 3 0 329.532 3.217 20 0 EGADRP CC[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000538724169 314270211 /nfs/dbraw/zinc/27/02/11/314270211.db2.gz WINMXIRCXWMMED-SFHLNBCPSA-N 2 0 329.532 3.138 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000539546235 314319926 /nfs/dbraw/zinc/31/99/26/314319926.db2.gz LLXRPNXNJMMFPU-OXJNMPFZSA-N 2 0 329.488 3.355 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000539863403 314346570 /nfs/dbraw/zinc/34/65/70/314346570.db2.gz ZZHMRMKWGBXXRR-IFMALSPDSA-N 2 0 341.543 3.281 20 0 EGADRP CCc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000541760182 314486707 /nfs/dbraw/zinc/48/67/07/314486707.db2.gz ARHCRUCQHSQRPU-UHFFFAOYSA-N 2 0 335.561 3.160 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccccc1 ZINC000544371029 314690500 /nfs/dbraw/zinc/69/05/00/314690500.db2.gz HUEYIRVLAKQDRE-FUHWJXTLSA-N 2 0 333.520 3.352 20 0 EGADRP CC[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000544372050 314690726 /nfs/dbraw/zinc/69/07/26/314690726.db2.gz VJTYXSBBBFSUFR-HKUYNNGSSA-N 2 0 345.531 3.284 20 0 EGADRP CCC(CC)(C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC ZINC000548486955 315016245 /nfs/dbraw/zinc/01/62/45/315016245.db2.gz KUYLZRQYJZXSNN-PKOBYXMFSA-N 2 0 346.515 3.466 20 0 EGADRP FC(F)(F)c1ccnc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000550887543 315136923 /nfs/dbraw/zinc/13/69/23/315136923.db2.gz XSEINAMNTVHNFQ-UHFFFAOYSA-N 2 0 327.394 3.107 20 0 EGADRP CCc1ccc([C@H]([NH2+]CC(=O)NC2CC[NH+](CC)CC2)C(C)C)cc1 ZINC000552812140 315233880 /nfs/dbraw/zinc/23/38/80/315233880.db2.gz STVRFUZBFBOTLK-OAQYLSRUSA-N 2 0 345.531 3.136 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000552919352 315237838 /nfs/dbraw/zinc/23/78/38/315237838.db2.gz ANFXGCHIWRZEKA-ZGGTZUKQSA-N 2 0 341.499 3.141 20 0 EGADRP CC(C)Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000554401712 315316257 /nfs/dbraw/zinc/31/62/57/315316257.db2.gz GXTHXYDTOWDQDD-YYWHXJBOSA-N 2 0 331.548 3.418 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555525194 315387694 /nfs/dbraw/zinc/38/76/94/315387694.db2.gz YMKQYEQMQRMKGX-HIFRSBDPSA-N 2 0 337.305 3.238 20 0 EGADRP CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000561338215 315757294 /nfs/dbraw/zinc/75/72/94/315757294.db2.gz NLEJACSWUYTVCA-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000563528276 316033242 /nfs/dbraw/zinc/03/32/42/316033242.db2.gz RMTZQFDMEVTNIG-ZCNNSNEGSA-N 2 0 331.504 3.082 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000563540787 316035890 /nfs/dbraw/zinc/03/58/90/316035890.db2.gz GGYQPKQPJDKSBW-UHFFFAOYSA-N 2 0 325.456 3.221 20 0 EGADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000564201070 316122474 /nfs/dbraw/zinc/12/24/74/316122474.db2.gz PIFOGZCZHVXTMT-HBMCJLEFSA-N 2 0 329.532 3.407 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000564240705 316127388 /nfs/dbraw/zinc/12/73/88/316127388.db2.gz KXNHOHCPNZUCLG-GOSISDBHSA-N 2 0 327.472 3.168 20 0 EGADRP Oc1cc(F)cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000564507298 316159763 /nfs/dbraw/zinc/15/97/63/316159763.db2.gz ULUOPPQGRVVGOP-RTBURBONSA-N 2 0 340.442 3.485 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000564791787 316205873 /nfs/dbraw/zinc/20/58/73/316205873.db2.gz GZVLSTAJIHLWOU-CYBMUJFWSA-N 2 0 332.879 3.484 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000564822852 316212377 /nfs/dbraw/zinc/21/23/77/316212377.db2.gz RRZSCRJDDCPPHN-FKBYEOEOSA-N 2 0 341.543 3.266 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000564825605 316213499 /nfs/dbraw/zinc/21/34/99/316213499.db2.gz VTMOGEMCYIHFOG-ZVDOUQERSA-N 2 0 344.499 3.163 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000565534437 316336406 /nfs/dbraw/zinc/33/64/06/316336406.db2.gz GFMFODZKUGMSRO-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000565652202 316351887 /nfs/dbraw/zinc/35/18/87/316351887.db2.gz AOKZWBKISMVGIB-DENIHFKCSA-N 2 0 340.511 3.311 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000565828643 316375075 /nfs/dbraw/zinc/37/50/75/316375075.db2.gz XNETTXPUFXSKPW-RHSMWYFYSA-N 2 0 344.421 3.321 20 0 EGADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(O)c1 ZINC000570505852 317064989 /nfs/dbraw/zinc/06/49/89/317064989.db2.gz OSLWLACVXQDWMO-UWJYYQICSA-N 2 0 339.483 3.032 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570632933 317083874 /nfs/dbraw/zinc/08/38/74/317083874.db2.gz LNVFRWGWCYRHIM-WMZOPIPTSA-N 2 0 343.515 3.459 20 0 EGADRP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570964267 317133551 /nfs/dbraw/zinc/13/35/51/317133551.db2.gz HFSDHLOPHYFVJM-CABCVRRESA-N 2 0 342.405 3.406 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000571203426 317165735 /nfs/dbraw/zinc/16/57/35/317165735.db2.gz FACQOAHVVSNSTO-FRQCXROJSA-N 2 0 331.504 3.009 20 0 EGADRP COCC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000571325843 317183389 /nfs/dbraw/zinc/18/33/89/317183389.db2.gz VCPNMMQMIHTJEY-XUVXKRRUSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000572009684 317279346 /nfs/dbraw/zinc/27/93/46/317279346.db2.gz WZAHSORUYMXPNB-QWHCGFSZSA-N 2 0 343.393 3.012 20 0 EGADRP COc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000572026804 317281127 /nfs/dbraw/zinc/28/11/27/317281127.db2.gz CGHFFKDSQDBIGR-PZJWPPBQSA-N 2 0 338.451 3.349 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000572257781 317313392 /nfs/dbraw/zinc/31/33/92/317313392.db2.gz VEHRHUKHHIUFMA-GIESBBMHSA-N 2 0 332.488 3.171 20 0 EGADRP C[C@H]1C[C@@H](NCc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000230309937 456135491 /nfs/dbraw/zinc/13/54/91/456135491.db2.gz MRWRXZPOENFLCY-UWVGGRQHSA-N 2 0 333.220 3.300 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccs1 ZINC000177826604 323346793 /nfs/dbraw/zinc/34/67/93/323346793.db2.gz YUEXFBMFGWMOBQ-MRXNPFEDSA-N 2 0 330.501 3.136 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccs1 ZINC000177826593 323346939 /nfs/dbraw/zinc/34/69/39/323346939.db2.gz YUEXFBMFGWMOBQ-INIZCTEOSA-N 2 0 330.501 3.136 20 0 EGADRP CC1(C)CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000178007675 323349570 /nfs/dbraw/zinc/34/95/70/323349570.db2.gz QOHUUXRALSEJHD-RBUKOAKNSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379680649 324241085 /nfs/dbraw/zinc/24/10/85/324241085.db2.gz NJLUXDYFLMEBQJ-AEFFLSMTSA-N 2 0 333.520 3.037 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000387475459 324270942 /nfs/dbraw/zinc/27/09/42/324270942.db2.gz UMBALIOZVIOBRH-GGPKGHCWSA-N 2 0 329.532 3.359 20 0 EGADRP Cc1cnccc1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000397526163 324294798 /nfs/dbraw/zinc/29/47/98/324294798.db2.gz QILYPMNGUQNNOX-VXKWHMMOSA-N 2 0 335.495 3.386 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC[C@@H]1CCC[NH+]1C ZINC000469770982 324361912 /nfs/dbraw/zinc/36/19/12/324361912.db2.gz XEWZZUBDDKHHFN-IZZBFERCSA-N 2 0 329.532 3.217 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc2c1 ZINC000576488288 324624742 /nfs/dbraw/zinc/62/47/42/324624742.db2.gz BTIXNWDPUGDMBS-AZUAARDMSA-N 2 0 344.455 3.160 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000579343645 325096747 /nfs/dbraw/zinc/09/67/47/325096747.db2.gz GGZYFLJUEGFQBF-HXUWFJFHSA-N 2 0 348.531 3.145 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1C ZINC000579734164 325152881 /nfs/dbraw/zinc/15/28/81/325152881.db2.gz UAHOISONZZPRHC-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP [NH3+][C@H](CCC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1 ZINC000581180880 325338566 /nfs/dbraw/zinc/33/85/66/325338566.db2.gz SBEKCCHZHZNZPI-OAHLLOKOSA-N 2 0 344.484 3.029 20 0 EGADRP O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581249688 325345997 /nfs/dbraw/zinc/34/59/97/325345997.db2.gz DBAXTHWKLUUYIM-IBGZPJMESA-N 2 0 349.478 3.183 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1C ZINC000581440383 325362082 /nfs/dbraw/zinc/36/20/82/325362082.db2.gz FSTWFOFHMQQWDU-INIZCTEOSA-N 2 0 326.488 3.250 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000581601862 325375516 /nfs/dbraw/zinc/37/55/16/325375516.db2.gz OCIHOZQLPAIHPT-KRWDZBQOSA-N 2 0 346.515 3.264 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000583071926 325492579 /nfs/dbraw/zinc/49/25/79/325492579.db2.gz FTLUCBNDDOIRKC-LALPHHSUSA-N 2 0 343.393 3.140 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000583814734 325553785 /nfs/dbraw/zinc/55/37/85/325553785.db2.gz JMTOIMBBDKUMCC-IBGZPJMESA-N 2 0 329.488 3.186 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C ZINC000180707471 455230976 /nfs/dbraw/zinc/23/09/76/455230976.db2.gz BFOVVUUFIPVNES-WFASDCNBSA-N 2 0 334.851 3.005 20 0 EGADRP COC[C@H]1CCCC[N@@H+]1CCCCC[NH+]1CCCC[C@H]1COC ZINC000452036849 458492380 /nfs/dbraw/zinc/49/23/80/458492380.db2.gz KMMUOGBDVZFAOE-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000158137083 455273177 /nfs/dbraw/zinc/27/31/77/455273177.db2.gz CVUZJNMMLIHEBS-STQMWFEESA-N 2 0 328.403 3.289 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000245572412 455332719 /nfs/dbraw/zinc/33/27/19/455332719.db2.gz CIDGISHJSOOYEI-NBOOPKSLSA-N 2 0 334.504 3.201 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[NH+](CC)CC ZINC000605449052 460583907 /nfs/dbraw/zinc/58/39/07/460583907.db2.gz PYEOJOMNMOTUNJ-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081408760 453869608 /nfs/dbraw/zinc/86/96/08/453869608.db2.gz IEEHQOCEOIPMHE-INIZCTEOSA-N 2 0 338.455 3.239 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076425758 454000223 /nfs/dbraw/zinc/00/02/23/454000223.db2.gz NFGMUCDIEMWDEJ-FQEVSTJZSA-N 2 0 343.515 3.163 20 0 EGADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523264 454064591 /nfs/dbraw/zinc/06/45/91/454064591.db2.gz VZWXVPGSVQGCKR-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(C[NH+]3CCOCC3)CC1)CCC2 ZINC000130879047 454223809 /nfs/dbraw/zinc/22/38/09/454223809.db2.gz DPMDLGJKPWVQPD-HXUWFJFHSA-N 2 0 332.463 3.247 20 0 EGADRP CN(c1ccccc1C[N@H+](C)[C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000095982491 454249463 /nfs/dbraw/zinc/24/94/63/454249463.db2.gz XLRHBVUWGHLNAN-GOSISDBHSA-N 2 0 333.545 3.154 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096003527 454259823 /nfs/dbraw/zinc/25/98/23/454259823.db2.gz YKDVPLKSZMDAST-GHTZIAJQSA-N 3 0 329.532 3.219 20 0 EGADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132309047 454328554 /nfs/dbraw/zinc/32/85/54/454328554.db2.gz TVTYORKRFRLSPX-IEBWSBKVSA-N 2 0 333.520 3.008 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132338939 454330212 /nfs/dbraw/zinc/33/02/12/454330212.db2.gz DCZNNTGPSIGHNH-LPHOPBHVSA-N 2 0 335.561 3.331 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1C ZINC000090937472 454352616 /nfs/dbraw/zinc/35/26/16/454352616.db2.gz MNHXZPYAISEUDR-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073033989 454384615 /nfs/dbraw/zinc/38/46/15/454384615.db2.gz CSVXABYBINKYTO-FXAWDEMLSA-N 2 0 343.515 3.059 20 0 EGADRP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000079303755 454394856 /nfs/dbraw/zinc/39/48/56/454394856.db2.gz XBTIUVFGVWBVSS-ROUUACIJSA-N 2 0 345.531 3.408 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285485 454423410 /nfs/dbraw/zinc/42/34/10/454423410.db2.gz RTSBEMNKTXYEQU-PXNSSMCTSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000091334723 454427568 /nfs/dbraw/zinc/42/75/68/454427568.db2.gz WUVSCSACQSUZQI-OXJNMPFZSA-N 2 0 333.495 3.283 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000091553740 454446527 /nfs/dbraw/zinc/44/65/27/454446527.db2.gz CTBNFBVDWOYGLR-GOSISDBHSA-N 2 0 339.483 3.450 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121538083 454448174 /nfs/dbraw/zinc/44/81/74/454448174.db2.gz CUSFAWGTQUTBCV-SXLOBPIMSA-N 2 0 344.499 3.064 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000064026232 454463731 /nfs/dbraw/zinc/46/37/31/454463731.db2.gz OOQDFHJKCSERPK-ROUUACIJSA-N 2 0 343.515 3.275 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000064310361 454472456 /nfs/dbraw/zinc/47/24/56/454472456.db2.gz QDKYNMPOPKPJMD-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824406 454477063 /nfs/dbraw/zinc/47/70/63/454477063.db2.gz XMZGMEQLVNDOBH-IBGZPJMESA-N 2 0 329.488 3.138 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]Cc2ccc3nccnc3c2)CCN1Cc1ccccc1 ZINC000634980809 460639231 /nfs/dbraw/zinc/63/92/31/460639231.db2.gz OBIUBDQTFRACED-APWZRJJASA-N 2 0 332.451 3.382 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000134172906 454511520 /nfs/dbraw/zinc/51/15/20/454511520.db2.gz WMKJPEUWRFQBRQ-HSZRJFAPSA-N 2 0 336.545 3.368 20 0 EGADRP Cc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000074055385 454526913 /nfs/dbraw/zinc/52/69/13/454526913.db2.gz NGWBQRYUKHGQGC-FQEVSTJZSA-N 2 0 326.488 3.227 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000122696508 454560371 /nfs/dbraw/zinc/56/03/71/454560371.db2.gz AROQFPZGYLSKLA-LJQANCHMSA-N 2 0 347.503 3.076 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246244096 455456895 /nfs/dbraw/zinc/45/68/95/455456895.db2.gz VFTUFGKBESOFRM-MSOLQXFVSA-N 2 0 329.488 3.048 20 0 EGADRP CCc1ncc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000092587009 454590902 /nfs/dbraw/zinc/59/09/02/454590902.db2.gz ZLNCVMUQVKCMNC-HUUCEWRRSA-N 2 0 337.533 3.027 20 0 EGADRP Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000123436969 454637371 /nfs/dbraw/zinc/63/73/71/454637371.db2.gz HZJGMPLEWQRQIN-UHFFFAOYSA-N 2 0 331.504 3.296 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnc2ccccn12 ZINC000092821306 454639711 /nfs/dbraw/zinc/63/97/11/454639711.db2.gz QHEGPFIONODIML-UHFFFAOYSA-N 2 0 349.482 3.468 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051958517 454642910 /nfs/dbraw/zinc/64/29/10/454642910.db2.gz YICLVBAEXFOJJS-UHFFFAOYSA-N 2 0 346.515 3.117 20 0 EGADRP FC(F)(F)[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000635007059 460649234 /nfs/dbraw/zinc/64/92/34/460649234.db2.gz DKXPZLXMXMTNLR-MRXNPFEDSA-N 2 0 336.361 3.207 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1nccs1 ZINC000093396898 454711561 /nfs/dbraw/zinc/71/15/61/454711561.db2.gz XQSYXURDTAMWEN-FUHWJXTLSA-N 2 0 344.528 3.173 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000124389335 454727498 /nfs/dbraw/zinc/72/74/98/454727498.db2.gz MGYLJMJQXBLODO-SFHVURJKSA-N 2 0 333.520 3.156 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124472960 454737385 /nfs/dbraw/zinc/73/73/85/454737385.db2.gz WLYBIYHYAHAVIZ-MSOLQXFVSA-N 2 0 347.547 3.050 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124529084 454744467 /nfs/dbraw/zinc/74/44/67/454744467.db2.gz RZMJZUSEYDYZHB-KRWDZBQOSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@@H+]1C ZINC000153027276 454754056 /nfs/dbraw/zinc/75/40/56/454754056.db2.gz WGIBINUPBJKMOQ-CVEARBPZSA-N 2 0 339.524 3.286 20 0 EGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010460 460653391 /nfs/dbraw/zinc/65/33/91/460653391.db2.gz LTRIWLLVJCWHSX-SFHVURJKSA-N 2 0 326.415 3.257 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cnn(Cc2ccccc2)c1 ZINC000635010633 460654281 /nfs/dbraw/zinc/65/42/81/460654281.db2.gz KTYHVQPXBMQTAB-APWZRJJASA-N 2 0 326.488 3.360 20 0 EGADRP CC(C)(C)OC(=O)NCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000125063873 454794107 /nfs/dbraw/zinc/79/41/07/454794107.db2.gz ODKMKUOTVHHGMA-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000153599431 454810590 /nfs/dbraw/zinc/81/05/90/454810590.db2.gz RVPLUHPVOJCVOV-PXNSSMCTSA-N 2 0 329.532 3.407 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163104537 454823165 /nfs/dbraw/zinc/82/31/65/454823165.db2.gz FNWWXOPLIGAUGL-BXUZGUMPSA-N 2 0 331.291 3.120 20 0 EGADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000163206398 454830055 /nfs/dbraw/zinc/83/00/55/454830055.db2.gz YOXQITTYBDWNRA-LAUBAEHRSA-N 2 0 342.483 3.320 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635013594 460655864 /nfs/dbraw/zinc/65/58/64/460655864.db2.gz ZMNRCPIHEQKIGO-YSIASYRMSA-N 3 0 329.532 3.265 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000109696637 454833426 /nfs/dbraw/zinc/83/34/26/454833426.db2.gz QCWWAKQTKBDWFY-QGZVFWFLSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)(C)OC(=O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000163562648 454855171 /nfs/dbraw/zinc/85/51/71/454855171.db2.gz WYFYKVHKQYEVTL-UHFFFAOYSA-N 2 0 332.488 3.015 20 0 EGADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000163807772 454865373 /nfs/dbraw/zinc/86/53/73/454865373.db2.gz PBQIWHKMELHJIR-QGZVFWFLSA-N 2 0 342.487 3.175 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000246387344 455481146 /nfs/dbraw/zinc/48/11/46/455481146.db2.gz APEWIJIQONJMQI-MGPUTAFESA-N 2 0 326.488 3.309 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164408916 454881258 /nfs/dbraw/zinc/88/12/58/454881258.db2.gz HRLPBIMDPDFTPL-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP c1cncc(CN2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)c1 ZINC000164651254 454887802 /nfs/dbraw/zinc/88/78/02/454887802.db2.gz CBHRMLPBHRDZPZ-UHFFFAOYSA-N 2 0 344.547 3.292 20 0 EGADRP CCc1nc(C)c([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)s1 ZINC000154452288 454898003 /nfs/dbraw/zinc/89/80/03/454898003.db2.gz ZAQSRQJPKPOOLS-OAHLLOKOSA-N 2 0 338.565 3.082 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000154454320 454898293 /nfs/dbraw/zinc/89/82/93/454898293.db2.gz TZSLFAOKQXFVER-FQEVSTJZSA-N 2 0 332.536 3.176 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154471054 454899404 /nfs/dbraw/zinc/89/94/04/454899404.db2.gz KJDKUCKGJULLSV-GOSISDBHSA-N 2 0 329.532 3.244 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000166042553 454907466 /nfs/dbraw/zinc/90/74/66/454907466.db2.gz LNNQSPKPPCIAJX-DZGCQCFKSA-N 2 0 328.884 3.356 20 0 EGADRP CCC[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000166166494 454908637 /nfs/dbraw/zinc/90/86/37/454908637.db2.gz AGVPUNFVVCODQR-KRWDZBQOSA-N 2 0 330.476 3.049 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126779638 454918089 /nfs/dbraw/zinc/91/80/89/454918089.db2.gz CFYKILYZZYIVOB-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150985418 454922479 /nfs/dbraw/zinc/92/24/79/454922479.db2.gz QSVNUFYANJDDJA-KRWDZBQOSA-N 2 0 333.520 3.150 20 0 EGADRP Fc1cccnc1N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000168117842 454924690 /nfs/dbraw/zinc/92/46/90/454924690.db2.gz FPIIOAPNRROIRM-QGZVFWFLSA-N 2 0 346.494 3.186 20 0 EGADRP COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000154849142 454936056 /nfs/dbraw/zinc/93/60/56/454936056.db2.gz NWFMYUJINMRXHU-OVQGTLEDSA-N 2 0 345.531 3.150 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000178221936 454943391 /nfs/dbraw/zinc/94/33/91/454943391.db2.gz METQZSHULBJIEQ-AWEZNQCLSA-N 2 0 332.517 3.353 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1Cn1cccn1 ZINC000178414215 454953559 /nfs/dbraw/zinc/95/35/59/454953559.db2.gz AIDRLCDRAQFDFU-QGZVFWFLSA-N 2 0 342.487 3.077 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC000178469775 454956179 /nfs/dbraw/zinc/95/61/79/454956179.db2.gz DJVQLWZJIYVJCP-JXFKEZNVSA-N 2 0 328.500 3.500 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000155061112 454959131 /nfs/dbraw/zinc/95/91/31/454959131.db2.gz KGODOHXWDQUZNY-HSALFYBXSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000155109579 454963846 /nfs/dbraw/zinc/96/38/46/454963846.db2.gz JVNHGBISYGSVRB-KBPBESRZSA-N 2 0 343.487 3.288 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc2o1 ZINC000178637164 454965544 /nfs/dbraw/zinc/96/55/44/454965544.db2.gz UEUOXEAMAQNYQZ-WBVHZDCISA-N 2 0 342.439 3.136 20 0 EGADRP COCCN1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000178656582 454966505 /nfs/dbraw/zinc/96/65/05/454966505.db2.gz AWEYOTHNEKGBGO-QGZVFWFLSA-N 2 0 338.879 3.254 20 0 EGADRP O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178756182 454974007 /nfs/dbraw/zinc/97/40/07/454974007.db2.gz OLILGYPFTNZGTK-GOSISDBHSA-N 2 0 347.528 3.096 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(Cl)s1 ZINC000155727628 455037646 /nfs/dbraw/zinc/03/76/46/455037646.db2.gz XHNLOXGJYOXNJI-UONOGXRCSA-N 2 0 329.941 3.468 20 0 EGADRP COCCC[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000151927954 455050219 /nfs/dbraw/zinc/05/02/19/455050219.db2.gz XWAPBKIPHCIUHZ-INIZCTEOSA-N 2 0 343.309 3.458 20 0 EGADRP CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC000155895962 455058853 /nfs/dbraw/zinc/05/88/53/455058853.db2.gz WXSILZCTXSXCHA-OAHLLOKOSA-N 2 0 334.423 3.083 20 0 EGADRP CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC000155895842 455059073 /nfs/dbraw/zinc/05/90/73/455059073.db2.gz WXSILZCTXSXCHA-HNNXBMFYSA-N 2 0 334.423 3.083 20 0 EGADRP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152371742 455108785 /nfs/dbraw/zinc/10/87/85/455108785.db2.gz YRCACFPEQHOPEK-QWHCGFSZSA-N 2 0 341.858 3.080 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000180039614 455121137 /nfs/dbraw/zinc/12/11/37/455121137.db2.gz AXVBYSDLMZUKKW-UHFFFAOYSA-N 2 0 344.503 3.133 20 0 EGADRP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000180362738 455161674 /nfs/dbraw/zinc/16/16/74/455161674.db2.gz HRGBUXOFYBBRMU-KRWDZBQOSA-N 2 0 348.450 3.182 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237527573 455192449 /nfs/dbraw/zinc/19/24/49/455192449.db2.gz CENOIXQGBWWDSP-HKUYNNGSSA-N 2 0 343.515 3.160 20 0 EGADRP C[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237605832 455198949 /nfs/dbraw/zinc/19/89/49/455198949.db2.gz RLXNORHYRINNQA-IEBWSBKVSA-N 2 0 331.504 3.095 20 0 EGADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000182982658 455203900 /nfs/dbraw/zinc/20/39/00/455203900.db2.gz FRVBKQBANAPJGY-UHFFFAOYSA-N 2 0 344.499 3.084 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccco1 ZINC000245202111 455279945 /nfs/dbraw/zinc/27/99/45/455279945.db2.gz PVBBXYFKJLZLNO-WCXIOVBPSA-N 2 0 335.492 3.040 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000265275206 455303051 /nfs/dbraw/zinc/30/30/51/455303051.db2.gz HHXNSLGQXURMKG-LJQANCHMSA-N 2 0 345.531 3.332 20 0 EGADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000245478965 455310299 /nfs/dbraw/zinc/31/02/99/455310299.db2.gz VYZDIIVUVNZLDJ-ZWKOTPCHSA-N 2 0 345.531 3.263 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000158673078 455320889 /nfs/dbraw/zinc/32/08/89/455320889.db2.gz ILTVSAPKTWCXGL-VQIMIIECSA-N 2 0 343.515 3.339 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)oc21 ZINC000181468395 455339080 /nfs/dbraw/zinc/33/90/80/455339080.db2.gz TXYORUTXEFSKOK-OAHLLOKOSA-N 2 0 345.487 3.118 20 0 EGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000159334759 455370466 /nfs/dbraw/zinc/37/04/66/455370466.db2.gz YEEMXCSITXVEQW-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CCc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+](C)C)cc1 ZINC000174452099 455393017 /nfs/dbraw/zinc/39/30/17/455393017.db2.gz NMOYWBJSVMWHJB-FQEVSTJZSA-N 2 0 345.531 3.088 20 0 EGADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000181892972 455396114 /nfs/dbraw/zinc/39/61/14/455396114.db2.gz YCQNKFPOAWRYFD-UHFFFAOYSA-N 2 0 338.879 3.290 20 0 EGADRP CCN(Cc1cccc(OC)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485739 455396498 /nfs/dbraw/zinc/39/64/98/455396498.db2.gz HLSGIYWYHHGOHS-LJQANCHMSA-N 2 0 339.483 3.434 20 0 EGADRP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246010067 455413526 /nfs/dbraw/zinc/41/35/26/455413526.db2.gz KXABKFKKNORICI-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000190981718 455418877 /nfs/dbraw/zinc/41/88/77/455418877.db2.gz YWVBZUANIKYVAW-UHFFFAOYSA-N 2 0 334.508 3.334 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000246298455 455466638 /nfs/dbraw/zinc/46/66/38/455466638.db2.gz NUECUSDUTCWCLV-VQTJNVASSA-N 2 0 345.531 3.441 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000182233654 455467642 /nfs/dbraw/zinc/46/76/42/455467642.db2.gz ZYIICLLUULLJLW-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000182257034 455473694 /nfs/dbraw/zinc/47/36/94/455473694.db2.gz VQYBYGLOHBPJQD-VXKWHMMOSA-N 2 0 336.479 3.494 20 0 EGADRP C[C@H](CCNC(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000182448797 455516603 /nfs/dbraw/zinc/51/66/03/455516603.db2.gz TXMINMWPZRLYRB-MRXNPFEDSA-N 2 0 332.492 3.134 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000247137530 455564718 /nfs/dbraw/zinc/56/47/18/455564718.db2.gz SCEYMCGAWXCYLM-WSTZPKSXSA-N 2 0 330.516 3.362 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000247188578 455569881 /nfs/dbraw/zinc/56/98/81/455569881.db2.gz ZUAGGKGEYDPUKJ-LEWJYISDSA-N 2 0 329.532 3.015 20 0 EGADRP C[N@H+](CCCO)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185513425 455571656 /nfs/dbraw/zinc/57/16/56/455571656.db2.gz MRCVRTMKDZLTGN-UHFFFAOYSA-N 2 0 336.442 3.134 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182721273 455575435 /nfs/dbraw/zinc/57/54/35/455575435.db2.gz YTDVSVYUNJUCIU-KDURUIRLSA-N 2 0 347.522 3.249 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182785292 455586280 /nfs/dbraw/zinc/58/62/80/455586280.db2.gz NSDDVOUXJBUAEP-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCCCCC1 ZINC000185705646 455600558 /nfs/dbraw/zinc/60/05/58/455600558.db2.gz JOHLDQXYYIGYRP-OKZBNKHCSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708384 455602137 /nfs/dbraw/zinc/60/21/37/455602137.db2.gz CFJCKUNZRCHDPD-IYOUNJFTSA-N 2 0 338.442 3.241 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(N2CCOCC2)c1 ZINC000271435835 455635856 /nfs/dbraw/zinc/63/58/56/455635856.db2.gz FMVBCQUHJPDNGX-KRWDZBQOSA-N 2 0 345.531 3.437 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000271450938 455641495 /nfs/dbraw/zinc/64/14/95/455641495.db2.gz DPFPFTWBTIFHGP-NJYVYQBISA-N 2 0 328.500 3.340 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000185894725 455645823 /nfs/dbraw/zinc/64/58/23/455645823.db2.gz FKYYYHJUBOLNAP-UHFFFAOYSA-N 2 0 341.499 3.452 20 0 EGADRP CCOCCC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000271470719 455650125 /nfs/dbraw/zinc/65/01/25/455650125.db2.gz HKHNRQVQNDDKKQ-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000284308013 455666458 /nfs/dbraw/zinc/66/64/58/455666458.db2.gz LEPMSCBYIQGUMW-HUYLIWGRSA-N 2 0 334.504 3.134 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000248001066 455669653 /nfs/dbraw/zinc/66/96/53/455669653.db2.gz KJQMWVCPKKZYDY-ZAWLATJESA-N 2 0 333.495 3.421 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cc2)CC1 ZINC000284417722 455682804 /nfs/dbraw/zinc/68/28/04/455682804.db2.gz QYVCBOMWYPKWCG-AQNXPRMDSA-N 2 0 344.499 3.063 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000284472684 455691870 /nfs/dbraw/zinc/69/18/70/455691870.db2.gz UMDKMHHFDZUAKO-SFTDATJTSA-N 2 0 330.516 3.143 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186106363 455694230 /nfs/dbraw/zinc/69/42/30/455694230.db2.gz ZGIDUXHASDCUNY-HXUWFJFHSA-N 2 0 329.532 3.298 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248179720 455695224 /nfs/dbraw/zinc/69/52/24/455695224.db2.gz WESYGGOQZNJSMR-RLFYNMQTSA-N 2 0 347.528 3.152 20 0 EGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1cccs1 ZINC000192799366 455696130 /nfs/dbraw/zinc/69/61/30/455696130.db2.gz HZDVWJHLCAYUDS-UHFFFAOYSA-N 2 0 337.577 3.419 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000186152168 455704206 /nfs/dbraw/zinc/70/42/06/455704206.db2.gz QXTAKKYMRYWBNB-JXFKEZNVSA-N 2 0 329.532 3.154 20 0 EGADRP C[C@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268775874 455712615 /nfs/dbraw/zinc/71/26/15/455712615.db2.gz VTUWREHBNUHQLY-PXNSSMCTSA-N 2 0 327.516 3.256 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268835235 455715939 /nfs/dbraw/zinc/71/59/39/455715939.db2.gz DDGHEJMEPYSMGJ-FTRWYGJKSA-N 2 0 326.488 3.290 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(N2CCOCC2)c1 ZINC000269037470 455770971 /nfs/dbraw/zinc/77/09/71/455770971.db2.gz FTWCZBJHCIBWAE-YTQUADARSA-N 2 0 331.504 3.047 20 0 EGADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000269080509 455785052 /nfs/dbraw/zinc/78/50/52/455785052.db2.gz ZLSNPZLATJQOCE-OAHLLOKOSA-N 2 0 331.287 3.491 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186565482 455794927 /nfs/dbraw/zinc/79/49/27/455794927.db2.gz XHPAHFVACVZVGE-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186621160 455807322 /nfs/dbraw/zinc/80/73/22/455807322.db2.gz UMXYSTDCRIMLSD-KLAILNCOSA-N 2 0 349.485 3.218 20 0 EGADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000255956062 455877462 /nfs/dbraw/zinc/87/74/62/455877462.db2.gz SHTYZELDIDDFRZ-MISYRCLQSA-N 2 0 344.547 3.384 20 0 EGADRP Cc1ccc2ncc(C[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)n2c1 ZINC000270195487 455899631 /nfs/dbraw/zinc/89/96/31/455899631.db2.gz YGUQFLNNKFZQTK-QKFKETGDSA-N 2 0 327.453 3.231 20 0 EGADRP C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385156 455933536 /nfs/dbraw/zinc/93/35/36/455933536.db2.gz WYYJGJMCYBIQGY-RXVVDRJESA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261745240 455938943 /nfs/dbraw/zinc/93/89/43/455938943.db2.gz PQFJCGRRRIMIBW-IIBYNOLFSA-N 2 0 337.467 3.351 20 0 EGADRP FC(F)(F)COc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000280320060 455946771 /nfs/dbraw/zinc/94/67/71/455946771.db2.gz QGJMGHRXWPQLSL-JKSUJKDBSA-N 2 0 342.405 3.387 20 0 EGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261982516 455981122 /nfs/dbraw/zinc/98/11/22/455981122.db2.gz RPAIZEHKFLRPFI-AAEUAGOBSA-N 2 0 338.377 3.265 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272533041 455984503 /nfs/dbraw/zinc/98/45/03/455984503.db2.gz JONNWXJIVGKTCS-MRXNPFEDSA-N 2 0 331.504 3.288 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000262019680 455986629 /nfs/dbraw/zinc/98/66/29/455986629.db2.gz XLCALBBDRQSQPV-UHFFFAOYSA-N 2 0 330.394 3.449 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c(C)c1OC ZINC000286181244 455995025 /nfs/dbraw/zinc/99/50/25/455995025.db2.gz QWJNWVUCXPXUKH-ZQIUZPCESA-N 2 0 332.488 3.158 20 0 EGADRP C[C@H]([NH2+]CCCOC[C@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272576578 456001125 /nfs/dbraw/zinc/00/11/25/456001125.db2.gz VTOFJZDOAWJIBX-SESVDKBCSA-N 2 0 346.515 3.072 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000272622552 456017352 /nfs/dbraw/zinc/01/73/52/456017352.db2.gz JARCFUPTGNXIDO-UHFFFAOYSA-N 2 0 337.511 3.345 20 0 EGADRP Cc1ccnc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000286297519 456017945 /nfs/dbraw/zinc/01/79/45/456017945.db2.gz WOCIGXDPZSAUHI-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272653812 456027303 /nfs/dbraw/zinc/02/73/03/456027303.db2.gz GHUYVYPEYQIHCD-QHAWAJNXSA-N 2 0 338.499 3.082 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262339650 456027454 /nfs/dbraw/zinc/02/74/54/456027454.db2.gz SORVCDJVHQDIDG-GIOYIUAESA-N 2 0 329.488 3.149 20 0 EGADRP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272656999 456028520 /nfs/dbraw/zinc/02/85/20/456028520.db2.gz GWYZKKJMHQPLKI-SLFFLAALSA-N 2 0 330.516 3.285 20 0 EGADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000286358584 456031831 /nfs/dbraw/zinc/03/18/31/456031831.db2.gz ZBOBJEAHNQPOGO-VNXMGFANSA-N 2 0 340.511 3.204 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000262702407 456054299 /nfs/dbraw/zinc/05/42/99/456054299.db2.gz JGWYWNSOOHEDKO-HXUWFJFHSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000272735902 456056698 /nfs/dbraw/zinc/05/66/98/456056698.db2.gz LZORAQCFWSSGGZ-UHFFFAOYSA-N 2 0 344.471 3.326 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)c1 ZINC000280811316 456057270 /nfs/dbraw/zinc/05/72/70/456057270.db2.gz IBMARAWFSMOIAG-KFKAGJAMSA-N 2 0 332.488 3.206 20 0 EGADRP CCC(CC)(CNC(=O)c1coc(C[NH3+])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000262803792 456059842 /nfs/dbraw/zinc/05/98/42/456059842.db2.gz RYRLFWINKHXVNS-HNNXBMFYSA-N 2 0 343.471 3.378 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270890138 456060554 /nfs/dbraw/zinc/06/05/54/456060554.db2.gz LCNVWWFTJLEIQG-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP CCc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270896844 456062208 /nfs/dbraw/zinc/06/22/08/456062208.db2.gz MAJNXHWLJQSBFZ-UHFFFAOYSA-N 2 0 329.532 3.239 20 0 EGADRP C[C@@H]([NH2+]CCOc1ncccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272810958 456076934 /nfs/dbraw/zinc/07/69/34/456076934.db2.gz NKKNEMPTJJWKDS-SJLPKXTDSA-N 2 0 343.446 3.100 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)CC3 ZINC000272905637 456107468 /nfs/dbraw/zinc/10/74/68/456107468.db2.gz KWGKBDMPPPRWME-LKBUQDJMSA-N 2 0 339.483 3.106 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000281026047 456113941 /nfs/dbraw/zinc/11/39/41/456113941.db2.gz YAOUTNKHZHICBP-OAHLLOKOSA-N 2 0 347.894 3.131 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cscn1 ZINC000271064104 456116367 /nfs/dbraw/zinc/11/63/67/456116367.db2.gz CRNHGYWYYDFPPW-QFBILLFUSA-N 2 0 344.528 3.173 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263308779 456124358 /nfs/dbraw/zinc/12/43/58/456124358.db2.gz YGSRGQIFDDZRPS-RDPOXOKHSA-N 2 0 343.515 3.063 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301513268 456133760 /nfs/dbraw/zinc/13/37/60/456133760.db2.gz GGQDEHYZPCHMSK-DLBZAZTESA-N 2 0 339.524 3.285 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297154067 456134741 /nfs/dbraw/zinc/13/47/41/456134741.db2.gz AZGVCQABLYMSLW-DZGCQCFKSA-N 2 0 325.884 3.059 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281176415 456154653 /nfs/dbraw/zinc/15/46/53/456154653.db2.gz IFKRALOXFLHBCO-HXUWFJFHSA-N 2 0 343.446 3.402 20 0 EGADRP COCCOCc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000289854553 456157098 /nfs/dbraw/zinc/15/70/98/456157098.db2.gz VNPYYBAKFJADKJ-SFHVURJKSA-N 2 0 334.504 3.204 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000236684793 456168702 /nfs/dbraw/zinc/16/87/02/456168702.db2.gz KZEVHNRPUCPTBN-KRWDZBQOSA-N 2 0 345.531 3.300 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236774616 456182023 /nfs/dbraw/zinc/18/20/23/456182023.db2.gz LEOCEMQTTOCTFP-VQIMIIECSA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273138669 456190492 /nfs/dbraw/zinc/19/04/92/456190492.db2.gz DJSGPZFQZGJGDG-VQIMIIECSA-N 2 0 347.547 3.236 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000236922810 456202395 /nfs/dbraw/zinc/20/23/95/456202395.db2.gz MQINCUJZKFEBNM-PXNSSMCTSA-N 2 0 345.531 3.170 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000273192827 456209586 /nfs/dbraw/zinc/20/95/86/456209586.db2.gz JOZIZQFYZAVZAR-KRWDZBQOSA-N 2 0 345.531 3.242 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281396881 456222798 /nfs/dbraw/zinc/22/27/98/456222798.db2.gz YKKYLKSRCVHDLT-HXUWFJFHSA-N 2 0 343.446 3.402 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000237131267 456237127 /nfs/dbraw/zinc/23/71/27/456237127.db2.gz BOUGYEUQLOIZGX-NRFANRHFSA-N 2 0 340.511 3.338 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000237152157 456238422 /nfs/dbraw/zinc/23/84/22/456238422.db2.gz BUUPZTSBNCSODH-VQIMIIECSA-N 2 0 343.515 3.195 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)C1CC[NH2+]CC1)C1CCCCC1 ZINC000237166369 456241951 /nfs/dbraw/zinc/24/19/51/456241951.db2.gz AVWLSBTWXMXHJZ-UHFFFAOYSA-N 2 0 329.488 3.389 20 0 EGADRP Cc1c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cnn1C ZINC000342874545 456288448 /nfs/dbraw/zinc/28/84/48/456288448.db2.gz QKIBCNSWJOUPSE-UHFFFAOYSA-N 2 0 338.499 3.217 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275768763 456308349 /nfs/dbraw/zinc/30/83/49/456308349.db2.gz UQFHIFVMPFXRMR-COPCDDAFSA-N 2 0 338.495 3.090 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275768772 456309029 /nfs/dbraw/zinc/30/90/29/456309029.db2.gz UQFHIFVMPFXRMR-QIJUGHKUSA-N 2 0 338.495 3.090 20 0 EGADRP c1ccc2c(c1)[nH+]ccc2N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000347707569 456316600 /nfs/dbraw/zinc/31/66/00/456316600.db2.gz QIXGYISEHOKLMV-UHFFFAOYSA-N 2 0 338.499 3.233 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000352800806 456320464 /nfs/dbraw/zinc/32/04/64/456320464.db2.gz PZGOZUTWMVMLSV-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000290447318 456331707 /nfs/dbraw/zinc/33/17/07/456331707.db2.gz MDRRAYPJTJXTIK-KRWDZBQOSA-N 2 0 325.456 3.104 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000275853009 456333092 /nfs/dbraw/zinc/33/30/92/456333092.db2.gz LJYPPPBIKJSTHQ-AQNXPRMDSA-N 2 0 341.503 3.180 20 0 EGADRP Cn1cncc1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000297997071 456339698 /nfs/dbraw/zinc/33/96/98/456339698.db2.gz ZGHVXJJRXCRZSX-QUCCMNQESA-N 2 0 327.472 3.331 20 0 EGADRP CSc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000352831542 456346918 /nfs/dbraw/zinc/34/69/18/456346918.db2.gz DVHZYWIORZVVQF-UHFFFAOYSA-N 2 0 337.514 3.095 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352851972 456363259 /nfs/dbraw/zinc/36/32/59/456363259.db2.gz JFPHLJOVWGXGNJ-UHFFFAOYSA-N 2 0 349.466 3.274 20 0 EGADRP CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000337568515 456387822 /nfs/dbraw/zinc/38/78/22/456387822.db2.gz BJYZBEYTEYYKNK-WOJBJXKFSA-N 2 0 345.531 3.055 20 0 EGADRP c1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc2c1CCC2 ZINC000352888846 456391698 /nfs/dbraw/zinc/39/16/98/456391698.db2.gz QTEAXPLVCUTMLT-UHFFFAOYSA-N 2 0 328.500 3.110 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343093232 456402708 /nfs/dbraw/zinc/40/27/08/456402708.db2.gz GVJXGUOHQPKOLP-LJQANCHMSA-N 2 0 335.923 3.335 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298252738 456405430 /nfs/dbraw/zinc/40/54/30/456405430.db2.gz DOCFMGFCHJTOLF-SFHVURJKSA-N 3 0 330.520 3.152 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348011505 456438317 /nfs/dbraw/zinc/43/83/17/456438317.db2.gz SSSSZCRFUZXPND-IYBDPMFKSA-N 2 0 334.529 3.281 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282357872 456488651 /nfs/dbraw/zinc/48/86/51/456488651.db2.gz PPOBIPRUBJMNAQ-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC(O)CC1)C1(c2ccccc2)CCCC1 ZINC000276505038 456500782 /nfs/dbraw/zinc/50/07/82/456500782.db2.gz YMBSZUYDTDAJIB-SFHVURJKSA-N 2 0 330.516 3.323 20 0 EGADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000282516790 456539072 /nfs/dbraw/zinc/53/90/72/456539072.db2.gz ZJTBKXDQBWKCPS-QGZVFWFLSA-N 2 0 325.447 3.032 20 0 EGADRP O=C(C=Cc1c[nH]cn1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000276653071 456542576 /nfs/dbraw/zinc/54/25/76/456542576.db2.gz WWIJVMUFCXAAAD-LXXRFIIISA-N 2 0 344.846 3.030 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(CC(C)C)CC(C)C)CC1 ZINC000340596855 456557037 /nfs/dbraw/zinc/55/70/37/456557037.db2.gz NNUMWSIWMWBNBK-UHFFFAOYSA-N 2 0 339.568 3.181 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667920721 462322478 /nfs/dbraw/zinc/32/24/78/462322478.db2.gz KPYLSOPTSDIFIA-GIVPXCGWSA-N 2 0 328.500 3.482 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308400921 456571841 /nfs/dbraw/zinc/57/18/41/456571841.db2.gz WOBONACKABIEFA-OJAHFUOMSA-N 2 0 328.500 3.444 20 0 EGADRP CC(C)C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000348253684 456572925 /nfs/dbraw/zinc/57/29/25/456572925.db2.gz DSFZLWVWIHSVNZ-UHFFFAOYSA-N 2 0 329.410 3.203 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310006570 456577911 /nfs/dbraw/zinc/57/79/11/456577911.db2.gz HZSHCVXBGJUJAG-OAHLLOKOSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000310868244 456585805 /nfs/dbraw/zinc/58/58/05/456585805.db2.gz YNECAMIORQELIC-CRAIPNDOSA-N 2 0 347.503 3.284 20 0 EGADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276964832 456634299 /nfs/dbraw/zinc/63/42/99/456634299.db2.gz XBOCVFUUQIFBHE-MRXNPFEDSA-N 2 0 347.503 3.124 20 0 EGADRP FCCC[C@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000337997231 456644515 /nfs/dbraw/zinc/64/45/15/456644515.db2.gz LQRKLXRBVYOIBE-UYAOXDASSA-N 2 0 348.510 3.102 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cnn(C)c2)c1 ZINC000282880457 456653812 /nfs/dbraw/zinc/65/38/12/456653812.db2.gz WPENCKUBGZZGGH-SFHVURJKSA-N 2 0 338.499 3.313 20 0 EGADRP C[NH+](C)CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000299352547 456666514 /nfs/dbraw/zinc/66/65/14/456666514.db2.gz RSAYADRPMMDYAR-UHFFFAOYSA-N 2 0 349.482 3.366 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353389347 456667712 /nfs/dbraw/zinc/66/77/12/456667712.db2.gz VFFFCMJGEXNUSX-VAMGGRTRSA-N 2 0 342.462 3.282 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000343522828 456681330 /nfs/dbraw/zinc/68/13/30/456681330.db2.gz KLLQRRPVZCDBJK-XLIONFOSSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353436361 456698285 /nfs/dbraw/zinc/69/82/85/456698285.db2.gz AXNYEMFMGUPCLH-PMACEKPBSA-N 2 0 343.515 3.067 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000327270415 456704713 /nfs/dbraw/zinc/70/47/13/456704713.db2.gz DDUURINCRJLDRZ-ZGXWSNOMSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000343586089 456724804 /nfs/dbraw/zinc/72/48/04/456724804.db2.gz PEGYZSZJJHCMOF-HDICACEKSA-N 2 0 345.531 3.121 20 0 EGADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CS1 ZINC000277228885 456734450 /nfs/dbraw/zinc/73/44/50/456734450.db2.gz MCGUGQNBQCTQIS-QRVBRYPASA-N 2 0 348.556 3.263 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353545352 456747829 /nfs/dbraw/zinc/74/78/29/456747829.db2.gz LXFSVOKYRRULHR-LAUBAEHRSA-N 2 0 345.506 3.377 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353554269 456757010 /nfs/dbraw/zinc/75/70/10/456757010.db2.gz VOJPDKHCLKQYOC-HXUWFJFHSA-N 2 0 332.463 3.056 20 0 EGADRP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343806811 456775190 /nfs/dbraw/zinc/77/51/90/456775190.db2.gz FHJRDXAQAWQWEC-TZIWHRDSSA-N 2 0 330.516 3.382 20 0 EGADRP Cc1cc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc2[nH+]1 ZINC000301092357 456793953 /nfs/dbraw/zinc/79/39/53/456793953.db2.gz NCRQTQAFKPJVST-IBGZPJMESA-N 2 0 347.462 3.374 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCCc3nc(C)sc32)CC[NH+](C)CC1 ZINC000353613347 456803375 /nfs/dbraw/zinc/80/33/75/456803375.db2.gz UXKNYXNTWNIPHC-CYBMUJFWSA-N 2 0 325.547 3.246 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277396520 456809392 /nfs/dbraw/zinc/80/93/92/456809392.db2.gz XZQUWKUSIOTHGB-OAHLLOKOSA-N 2 0 343.471 3.051 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1F ZINC000353650470 456829687 /nfs/dbraw/zinc/82/96/87/456829687.db2.gz QXYNIJVQQJLDND-ZDUSSCGKSA-N 2 0 326.481 3.312 20 0 EGADRP Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000348756631 456842994 /nfs/dbraw/zinc/84/29/94/456842994.db2.gz PQYGDXDRTFKCHP-LEWJYISDSA-N 2 0 340.515 3.254 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000344777354 456858214 /nfs/dbraw/zinc/85/82/14/456858214.db2.gz UNOSJSWHQNCKCZ-GWJPWWOOSA-N 2 0 336.545 3.414 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000339008867 456898393 /nfs/dbraw/zinc/89/83/93/456898393.db2.gz DVXFRVUTRBTRJE-UHFFFAOYSA-N 2 0 334.504 3.156 20 0 EGADRP Cc1nc(C(C)C)ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000339044905 456913672 /nfs/dbraw/zinc/91/36/72/456913672.db2.gz QAQQRUFPEFSWTA-DFQSSKMNSA-N 2 0 331.504 3.197 20 0 EGADRP CCOc1c(Cl)cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339066874 456924488 /nfs/dbraw/zinc/92/44/88/456924488.db2.gz LCFFDSYMIDHFOW-GJZGRUSLSA-N 2 0 338.879 3.464 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2N2CC[NH+](CC)CC2)CCS1 ZINC000353854916 456937196 /nfs/dbraw/zinc/93/71/96/456937196.db2.gz AWNWYZZYYAAKAZ-SFHVURJKSA-N 2 0 333.545 3.156 20 0 EGADRP C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000353880643 456948351 /nfs/dbraw/zinc/94/83/51/456948351.db2.gz JTQKPATVJXYXRJ-HNAYVOBHSA-N 2 0 342.487 3.162 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000345205243 456966606 /nfs/dbraw/zinc/96/66/06/456966606.db2.gz JVGGGQVAGNXXHA-MSOLQXFVSA-N 2 0 326.488 3.436 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000353934817 456971895 /nfs/dbraw/zinc/97/18/95/456971895.db2.gz YIEQNPVYPMFFCQ-FZCLSBEQSA-N 2 0 332.488 3.412 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000339260931 457025583 /nfs/dbraw/zinc/02/55/83/457025583.db2.gz OBWGEBKSOAMOAQ-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000346689546 457112898 /nfs/dbraw/zinc/11/28/98/457112898.db2.gz ZKRZBAVRLZTRGY-UHFFFAOYSA-N 2 0 331.485 3.140 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)C1 ZINC000339435715 457117545 /nfs/dbraw/zinc/11/75/45/457117545.db2.gz AWPCKQWQHIDBNZ-QGZVFWFLSA-N 2 0 341.499 3.485 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000359970057 457177279 /nfs/dbraw/zinc/17/72/79/457177279.db2.gz KFIWMZCPJFJUKL-ROUUACIJSA-N 2 0 346.515 3.345 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000356810259 457179750 /nfs/dbraw/zinc/17/97/50/457179750.db2.gz KYRVQCDRFSBEBN-SJORKVTESA-N 2 0 333.520 3.180 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000356870453 457187531 /nfs/dbraw/zinc/18/75/31/457187531.db2.gz SQCDDKSAGLLCOT-OXJNMPFZSA-N 2 0 325.456 3.090 20 0 EGADRP CCOc1cccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1OC(F)F ZINC000347078478 457218545 /nfs/dbraw/zinc/21/85/45/457218545.db2.gz VRPSKEIXHLRQKZ-QWHCGFSZSA-N 2 0 328.403 3.246 20 0 EGADRP CCOc1cc(C[NH+]2CCC(C[NH2+]C)CC2)cc(Cl)c1OC ZINC000347087417 457223609 /nfs/dbraw/zinc/22/36/09/457223609.db2.gz DQIWYBQDAWSQKS-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342349085 457250508 /nfs/dbraw/zinc/25/05/08/457250508.db2.gz QLWJXQIMQSJIGG-ICSRJNTNSA-N 2 0 338.536 3.159 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000354494475 457256808 /nfs/dbraw/zinc/25/68/08/457256808.db2.gz GEAUZTITBUJGOX-HNJRGHQBSA-N 2 0 346.515 3.464 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000357021736 457283290 /nfs/dbraw/zinc/28/32/90/457283290.db2.gz ZGIPXDPZQPNBOH-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028369 457286119 /nfs/dbraw/zinc/28/61/19/457286119.db2.gz UTQHDRPQFJKIGR-SFHVURJKSA-N 2 0 328.456 3.031 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC000357057117 457302589 /nfs/dbraw/zinc/30/25/89/457302589.db2.gz IMYVTGWRMBJFQO-GOSISDBHSA-N 2 0 337.552 3.218 20 0 EGADRP CN(Cc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000351601684 457306208 /nfs/dbraw/zinc/30/62/08/457306208.db2.gz OBGGSKOIZBHMAR-CQSZACIVSA-N 2 0 338.879 3.275 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357107494 457326110 /nfs/dbraw/zinc/32/61/10/457326110.db2.gz RMIVPVZCUNNLHB-SFHVURJKSA-N 2 0 330.472 3.109 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1CCC2(CCCCC2)O1 ZINC000342629610 457414872 /nfs/dbraw/zinc/41/48/72/457414872.db2.gz HWGPFMDMFQCQCT-FCGDIQPGSA-N 2 0 336.520 3.052 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000360948860 457455917 /nfs/dbraw/zinc/45/59/17/457455917.db2.gz WSICMUKYFYIGIK-QGZVFWFLSA-N 2 0 344.528 3.314 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000357340386 457459148 /nfs/dbraw/zinc/45/91/48/457459148.db2.gz BJHIZFMCGBWDKL-FPOVZHCZSA-N 2 0 345.531 3.122 20 0 EGADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000360986384 457491999 /nfs/dbraw/zinc/49/19/99/457491999.db2.gz KLFRBSQNFOLBPL-ZDUSSCGKSA-N 2 0 337.464 3.178 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000356166935 457501503 /nfs/dbraw/zinc/50/15/03/457501503.db2.gz PCXIHCMGELHVCN-LJQANCHMSA-N 2 0 333.520 3.257 20 0 EGADRP Cc1ccc(C)c(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374179445 457511019 /nfs/dbraw/zinc/51/10/19/457511019.db2.gz SXVXNCFVGATKPW-UHFFFAOYSA-N 2 0 329.488 3.050 20 0 EGADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401047008 457522390 /nfs/dbraw/zinc/52/23/90/457522390.db2.gz RKVFDRXKUNZZRX-MHTWAQMVSA-N 2 0 329.532 3.121 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC(F)F ZINC000404419126 457544488 /nfs/dbraw/zinc/54/44/88/457544488.db2.gz HRFPIOYKTUXWSK-JSGCOSHPSA-N 2 0 328.403 3.246 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc2C1 ZINC000361052198 457545559 /nfs/dbraw/zinc/54/55/59/457545559.db2.gz MHYQASXECDQRGA-GHTZIAJQSA-N 2 0 343.515 3.190 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1)CC(C)C ZINC000356296538 457560143 /nfs/dbraw/zinc/56/01/43/457560143.db2.gz DDSCAWFTMNIDSC-UHFFFAOYSA-N 2 0 343.519 3.490 20 0 EGADRP CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000347649911 457575193 /nfs/dbraw/zinc/57/51/93/457575193.db2.gz NDNTXTBCNZFRMM-OALUTQOASA-N 2 0 345.531 3.054 20 0 EGADRP Cc1[nH+]ccc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000352747344 457578002 /nfs/dbraw/zinc/57/80/02/457578002.db2.gz BRHGXNSUENGNMT-KBPBESRZSA-N 2 0 337.895 3.369 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361105687 457584126 /nfs/dbraw/zinc/58/41/26/457584126.db2.gz MNNAYHLDSYBEMV-QUCCMNQESA-N 2 0 326.488 3.164 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)cc1)C1CC1 ZINC000356405697 457609771 /nfs/dbraw/zinc/60/97/71/457609771.db2.gz LIPVNLLMSVHHDU-UZLBHIALSA-N 2 0 343.515 3.083 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425935718 457655197 /nfs/dbraw/zinc/65/51/97/457655197.db2.gz FSKUVSBHTNDYEC-GXTWGEPZSA-N 2 0 325.884 3.153 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370632918 457687127 /nfs/dbraw/zinc/68/71/27/457687127.db2.gz DWWNSLRWEOECNX-FPOVZHCZSA-N 2 0 347.522 3.151 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370634660 457687782 /nfs/dbraw/zinc/68/77/82/457687782.db2.gz MHWGUXOYJAFLJQ-HKUYNNGSSA-N 2 0 345.531 3.295 20 0 EGADRP COCCCn1nccc1CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000374703058 457691033 /nfs/dbraw/zinc/69/10/33/457691033.db2.gz KMMVCWSOWLJWSQ-UHFFFAOYSA-N 2 0 348.535 3.054 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000370671133 457696923 /nfs/dbraw/zinc/69/69/23/457696923.db2.gz NDAHYPYYVZLREK-SFHVURJKSA-N 2 0 328.504 3.029 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)c2ccccc2C1 ZINC000357852859 457712568 /nfs/dbraw/zinc/71/25/68/457712568.db2.gz PMWMOXMFDSYSKB-HXUWFJFHSA-N 2 0 343.515 3.192 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000357856743 457714018 /nfs/dbraw/zinc/71/40/18/457714018.db2.gz SZAQOTKQQYTJLU-UHFFFAOYSA-N 2 0 345.409 3.333 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(CC[NH+]3CCOCC3)CC1)CC2 ZINC000361400755 457719345 /nfs/dbraw/zinc/71/93/45/457719345.db2.gz RLJLMQIUPCJYRY-FQEVSTJZSA-N 2 0 332.463 3.247 20 0 EGADRP CC(C)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000358005516 457737431 /nfs/dbraw/zinc/73/74/31/457737431.db2.gz NHZGEQZEPDTZQC-YYWHXJBOSA-N 2 0 329.532 3.142 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[N@H+](C)C[C@@H]3C)c2cc1OCC ZINC000443441158 457765038 /nfs/dbraw/zinc/76/50/38/457765038.db2.gz WIYCMFBKJVWWPU-AWEZNQCLSA-N 2 0 329.444 3.173 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000433157410 457766883 /nfs/dbraw/zinc/76/68/83/457766883.db2.gz GHBZUDBUMFJQIR-UHFFFAOYSA-N 2 0 349.478 3.400 20 0 EGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NC1CCCCCC1 ZINC000443587831 457784763 /nfs/dbraw/zinc/78/47/63/457784763.db2.gz HJUVVSNQJJCCIQ-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000361611388 457804981 /nfs/dbraw/zinc/80/49/81/457804981.db2.gz RQNNPOSHAMTJDO-HNNXBMFYSA-N 2 0 338.455 3.167 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC000371153660 457809815 /nfs/dbraw/zinc/80/98/15/457809815.db2.gz BSTNEWSULKXLLL-UHFFFAOYSA-N 2 0 347.522 3.454 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC000371158652 457812845 /nfs/dbraw/zinc/81/28/45/457812845.db2.gz VOCXPDXXSLWENE-UHFFFAOYSA-N 2 0 347.522 3.454 20 0 EGADRP CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411201777 457827952 /nfs/dbraw/zinc/82/79/52/457827952.db2.gz SPIGDKBDJFWQHR-OAQYLSRUSA-N 2 0 343.515 3.021 20 0 EGADRP NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411220763 457833124 /nfs/dbraw/zinc/83/31/24/457833124.db2.gz SVEKILUFIPQZRJ-SFHVURJKSA-N 2 0 343.515 3.150 20 0 EGADRP NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411215556 457833286 /nfs/dbraw/zinc/83/32/86/457833286.db2.gz HRSHPPCUZNZUEN-GOSISDBHSA-N 2 0 343.515 3.150 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536720 457843245 /nfs/dbraw/zinc/84/32/45/457843245.db2.gz TVIUZIXURDJNGH-MRXNPFEDSA-N 2 0 346.368 3.294 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000375239482 457846454 /nfs/dbraw/zinc/84/64/54/457846454.db2.gz UUSXBNWMACIKPI-OAQYLSRUSA-N 2 0 341.543 3.414 20 0 EGADRP Cn1cc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000411277526 457848149 /nfs/dbraw/zinc/84/81/49/457848149.db2.gz WWQUAARQGGDGLQ-FQEVSTJZSA-N 2 0 338.499 3.396 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(F)cc1Cl ZINC000371291936 457850954 /nfs/dbraw/zinc/85/09/54/457850954.db2.gz AIDGGCJHDWMZHB-OIISXLGYSA-N 2 0 326.843 3.163 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303400 457857074 /nfs/dbraw/zinc/85/70/74/457857074.db2.gz OJMUYDPMJWAJIP-PGRDOPGGSA-N 2 0 337.511 3.298 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000371310484 457859666 /nfs/dbraw/zinc/85/96/66/457859666.db2.gz LGTFZTIRIJWFCX-MRXNPFEDSA-N 2 0 348.516 3.071 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231519 457874488 /nfs/dbraw/zinc/87/44/88/457874488.db2.gz TWDBREZTGCEGKY-NRSPTQNISA-N 2 0 329.532 3.361 20 0 EGADRP C[NH+](C)C1(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CCCC1 ZINC000411412091 457880420 /nfs/dbraw/zinc/88/04/20/457880420.db2.gz ZHZRGNRVLIJKEN-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2C)C(C)(C)C)CC1 ZINC000411469480 457895981 /nfs/dbraw/zinc/89/59/81/457895981.db2.gz GSWBVKLODQSVAM-HXUWFJFHSA-N 2 0 345.531 3.272 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000367366507 457950921 /nfs/dbraw/zinc/95/09/21/457950921.db2.gz ANZCVYTZPDAFHZ-ACBHZAAOSA-N 2 0 343.515 3.076 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH+](C)C2)cc1)C1CC1 ZINC000458171378 457953654 /nfs/dbraw/zinc/95/36/54/457953654.db2.gz PUAUWVHTMXPIIF-QGZVFWFLSA-N 2 0 343.515 3.133 20 0 EGADRP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000367896269 457994482 /nfs/dbraw/zinc/99/44/82/457994482.db2.gz MYRTXVZEDLJRID-GDBMZVCRSA-N 2 0 334.426 3.483 20 0 EGADRP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1cccs1 ZINC000358503851 458043770 /nfs/dbraw/zinc/04/37/70/458043770.db2.gz HBFJPJXKXVNWNJ-QGZVFWFLSA-N 2 0 349.544 3.027 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427863928 458045605 /nfs/dbraw/zinc/04/56/05/458045605.db2.gz KKVVXNIQVVLGDA-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000428247213 458106087 /nfs/dbraw/zinc/10/60/87/458106087.db2.gz SQXIJZXPZYTQTH-HOTGVXAUSA-N 2 0 349.519 3.428 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCN(C(=O)C4CC4)CC3)CC2)C1 ZINC000358612658 458108539 /nfs/dbraw/zinc/10/85/39/458108539.db2.gz WMDORWVXNLBZRV-OXJNMPFZSA-N 2 0 347.547 3.020 20 0 EGADRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1OCc1ccncc1 ZINC000435369664 458122562 /nfs/dbraw/zinc/12/25/62/458122562.db2.gz FVUIZYIAMYUXKH-UHFFFAOYSA-N 2 0 343.471 3.086 20 0 EGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000435372468 458123052 /nfs/dbraw/zinc/12/30/52/458123052.db2.gz JPXDNKXCIILIID-CVEARBPZSA-N 2 0 326.488 3.339 20 0 EGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435372547 458123310 /nfs/dbraw/zinc/12/33/10/458123310.db2.gz RWEQPSVMJHLOIY-DLBZAZTESA-N 2 0 347.466 3.103 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000435394427 458136076 /nfs/dbraw/zinc/13/60/76/458136076.db2.gz KGECEMMNUADIHD-HNNXBMFYSA-N 2 0 325.456 3.316 20 0 EGADRP CN(CCC[NH+]1CCCC1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412317917 458166882 /nfs/dbraw/zinc/16/68/82/458166882.db2.gz PHFPWYOVEZCWCL-UHFFFAOYSA-N 2 0 343.515 3.230 20 0 EGADRP Cc1nc2ccccn2c1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435613541 458171814 /nfs/dbraw/zinc/17/18/14/458171814.db2.gz BTPTWCQEFUHBKR-IBGZPJMESA-N 2 0 349.482 3.182 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435614401 458171881 /nfs/dbraw/zinc/17/18/81/458171881.db2.gz FJNXEPMFQOXLMS-OAHLLOKOSA-N 2 0 343.393 3.108 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+](C)[C@H]3CCC[NH2+]CC3)n2)cc1F ZINC000435623113 458175181 /nfs/dbraw/zinc/17/51/81/458175181.db2.gz UBNGSZUDDNPTHI-INIZCTEOSA-N 2 0 346.450 3.191 20 0 EGADRP CCn1ccnc1C[N@H+](CCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697812 458186645 /nfs/dbraw/zinc/18/66/45/458186645.db2.gz ZISWMUUBASQLQN-IBGZPJMESA-N 2 0 338.499 3.090 20 0 EGADRP CCn1nc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c2ccccc21 ZINC000372124010 458201202 /nfs/dbraw/zinc/20/12/02/458201202.db2.gz HONQEHAPAWZTAN-INIZCTEOSA-N 2 0 337.471 3.244 20 0 EGADRP CCCN(CCC[NH2+]C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000435880388 458217526 /nfs/dbraw/zinc/21/75/26/458217526.db2.gz IROSRMBMRZYHGO-UHFFFAOYSA-N 2 0 332.275 3.253 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362508495 458228794 /nfs/dbraw/zinc/22/87/94/458228794.db2.gz YHNSYRUSKMUICA-DLBZAZTESA-N 2 0 347.503 3.219 20 0 EGADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884377 458241791 /nfs/dbraw/zinc/24/17/91/458241791.db2.gz PKBUFFSBYGLIIA-HNNXBMFYSA-N 2 0 326.488 3.348 20 0 EGADRP CCn1ccnc1[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459065495 458257898 /nfs/dbraw/zinc/25/78/98/458257898.db2.gz UBPQXGJWSDSZHQ-YESZJQIVSA-N 2 0 349.523 3.164 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)cc1 ZINC000420313449 458398222 /nfs/dbraw/zinc/39/82/22/458398222.db2.gz JCIWQNRHFGNVKV-LPHOPBHVSA-N 2 0 339.483 3.078 20 0 EGADRP C[N@H+](CCCC[NH2+]Cc1cccc(O)c1Br)C1CC1 ZINC000459596505 458423782 /nfs/dbraw/zinc/42/37/82/458423782.db2.gz NLTPQXDCCPMZQM-UHFFFAOYSA-N 2 0 327.266 3.119 20 0 EGADRP C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423427317 458431590 /nfs/dbraw/zinc/43/15/90/458431590.db2.gz NTCCBHFXIHWZLD-ZEYPLWLESA-N 2 0 349.522 3.374 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000423494468 458442992 /nfs/dbraw/zinc/44/29/92/458442992.db2.gz SDCIVMCDQDLTNQ-XDMRBOTDSA-N 2 0 327.241 3.293 20 0 EGADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C2CC3CC(C2)CC1C3 ZINC000423532173 458453575 /nfs/dbraw/zinc/45/35/75/458453575.db2.gz UYUHHHOQDTVBSH-UCSYWZSISA-N 2 0 330.516 3.077 20 0 EGADRP CCc1ccc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)o1 ZINC000423564059 458458230 /nfs/dbraw/zinc/45/82/30/458458230.db2.gz KXQABEMFHOYEDW-QGZVFWFLSA-N 2 0 341.499 3.486 20 0 EGADRP COc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000459732722 458460854 /nfs/dbraw/zinc/46/08/54/458460854.db2.gz MQLAVWUYPCNORR-CYBMUJFWSA-N 2 0 328.403 3.118 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000459732491 458460873 /nfs/dbraw/zinc/46/08/73/458460873.db2.gz GABZDICMTQNREH-GXRSIYKFSA-N 3 0 341.543 3.219 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430570406 458462972 /nfs/dbraw/zinc/46/29/72/458462972.db2.gz GSRUYWTVIXOBFU-APWZRJJASA-N 2 0 337.467 3.498 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000459743219 458465478 /nfs/dbraw/zinc/46/54/78/458465478.db2.gz WYCGSJBQTXIBPL-SFHVURJKSA-N 2 0 339.483 3.482 20 0 EGADRP [NH3+]C1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430609114 458470695 /nfs/dbraw/zinc/47/06/95/458470695.db2.gz GPUVZVDSEVJJRT-UHFFFAOYSA-N 2 0 339.439 3.231 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423742898 458477592 /nfs/dbraw/zinc/47/75/92/458477592.db2.gz LSBUPTYDSBVXBN-OALUTQOASA-N 2 0 331.504 3.004 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423735874 458477671 /nfs/dbraw/zinc/47/76/71/458477671.db2.gz XPTGARWVUPHGSB-ZRSRNVLSSA-N 2 0 335.536 3.148 20 0 EGADRP Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423765947 458480582 /nfs/dbraw/zinc/48/05/82/458480582.db2.gz ZYIBOTKFICEAFN-NRFANRHFSA-N 2 0 345.531 3.354 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423854312 458497933 /nfs/dbraw/zinc/49/79/33/458497933.db2.gz VSFQLYILTYGFDQ-WOJBJXKFSA-N 2 0 343.515 3.288 20 0 EGADRP Cc1ccc(-c2noc(CCC[NH+]3CCC([C@H](C)[NH3+])CC3)n2)cc1F ZINC000430918919 458505338 /nfs/dbraw/zinc/50/53/38/458505338.db2.gz JBCFRIGHKVGMSN-AWEZNQCLSA-N 2 0 346.450 3.176 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1F ZINC000431040952 458520013 /nfs/dbraw/zinc/52/00/13/458520013.db2.gz QAVAQZHYHYALGU-AWEZNQCLSA-N 2 0 344.434 3.321 20 0 EGADRP [NH3+]C1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000431059306 458523752 /nfs/dbraw/zinc/52/37/52/458523752.db2.gz AZVADXGZGMOUEW-UHFFFAOYSA-N 2 0 329.488 3.315 20 0 EGADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075717 458525177 /nfs/dbraw/zinc/52/51/77/458525177.db2.gz GLGNORBWJWWIGY-CVEARBPZSA-N 2 0 328.460 3.422 20 0 EGADRP [NH3+][C@H](CCC(=O)NCCCNc1ccccn1)CC1CCCCC1 ZINC000424141415 458568930 /nfs/dbraw/zinc/56/89/30/458568930.db2.gz XEVJRBMROTUUPQ-QGZVFWFLSA-N 2 0 332.492 3.078 20 0 EGADRP CN(C)[C@H](CNc1nc2ccc(F)cc2n1C)c1c(F)cccc1F ZINC000431413871 458569382 /nfs/dbraw/zinc/56/93/82/458569382.db2.gz JPIALPLLYDSFGR-MRXNPFEDSA-N 2 0 348.372 3.127 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000424251358 458593310 /nfs/dbraw/zinc/59/33/10/458593310.db2.gz YERVGTFGUSZKHT-IBGZPJMESA-N 2 0 337.467 3.304 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000424260773 458596011 /nfs/dbraw/zinc/59/60/11/458596011.db2.gz DMPLUSBZPKQUEK-ZRZPHAQCSA-N 2 0 344.499 3.492 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000438555720 458596392 /nfs/dbraw/zinc/59/63/92/458596392.db2.gz RMOUWZRERYCFLD-UXHICEINSA-N 2 0 343.515 3.121 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)co2)cc1 ZINC000424285122 458603511 /nfs/dbraw/zinc/60/35/11/458603511.db2.gz FDZUMYNDFXSQGK-OAHLLOKOSA-N 2 0 341.455 3.314 20 0 EGADRP CCC[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289006 458605146 /nfs/dbraw/zinc/60/51/46/458605146.db2.gz LEXVTOIGTLSFEH-PKOBYXMFSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431721506 458612478 /nfs/dbraw/zinc/61/24/78/458612478.db2.gz DPAIETZPDYMAAB-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC000470135174 458614203 /nfs/dbraw/zinc/61/42/03/458614203.db2.gz SJABRZVQTYPKKX-SJLPKXTDSA-N 2 0 332.488 3.028 20 0 EGADRP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000462680032 458641889 /nfs/dbraw/zinc/64/18/89/458641889.db2.gz IPRCAKHDMUCPMS-NQIIRXRSSA-N 2 0 329.532 3.492 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000546602082 458642279 /nfs/dbraw/zinc/64/22/79/458642279.db2.gz YVLDLHPJHWPNID-GOSISDBHSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790158 458653093 /nfs/dbraw/zinc/65/30/93/458653093.db2.gz QEUAUOOOACHWDT-DENIHFKCSA-N 2 0 340.511 3.407 20 0 EGADRP OC1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCC(c2ccccc2)CC1 ZINC000530230834 458724990 /nfs/dbraw/zinc/72/49/90/458724990.db2.gz KAKVPCRLTMEQND-OCDPCBSRSA-N 2 0 328.500 3.149 20 0 EGADRP Fc1ccc(Cl)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530242426 458728107 /nfs/dbraw/zinc/72/81/07/458728107.db2.gz USJPQPZDQWEPDS-MRXNPFEDSA-N 2 0 326.843 3.070 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464094055 458731165 /nfs/dbraw/zinc/73/11/65/458731165.db2.gz QETHVEAPLPKZSZ-HSALFYBXSA-N 2 0 330.516 3.251 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000432419117 458737192 /nfs/dbraw/zinc/73/71/92/458737192.db2.gz ZCYBTOMJHNLPHB-ZOBFTUDESA-N 2 0 328.500 3.038 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471839631 458740701 /nfs/dbraw/zinc/74/07/01/458740701.db2.gz YLZOMHYUGWYVMG-UYAOXDASSA-N 2 0 327.472 3.464 20 0 EGADRP Cc1ccccc1[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000495061639 458791851 /nfs/dbraw/zinc/79/18/51/458791851.db2.gz UQTAAIWWCHPQFS-GHTZIAJQSA-N 2 0 329.532 3.452 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccccc1 ZINC000440197938 458792126 /nfs/dbraw/zinc/79/21/26/458792126.db2.gz FHPGIIDFQNSMMG-LJQANCHMSA-N 2 0 348.535 3.051 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000518891842 458897619 /nfs/dbraw/zinc/89/76/19/458897619.db2.gz LQOWCBWGUKRMNP-KRWDZBQOSA-N 2 0 329.488 3.341 20 0 EGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000474730414 458899474 /nfs/dbraw/zinc/89/94/74/458899474.db2.gz IAERFXWEJHJPDE-QHAWAJNXSA-N 2 0 330.516 3.346 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC000441339854 458923518 /nfs/dbraw/zinc/92/35/18/458923518.db2.gz WKNMPHLICBYYOZ-PMACEKPBSA-N 2 0 329.532 3.013 20 0 EGADRP CCOC(=O)[C@@H](CC)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000441518424 458955949 /nfs/dbraw/zinc/95/59/49/458955949.db2.gz YEKXTUZLCSVFJJ-LJQANCHMSA-N 2 0 332.488 3.172 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000495803678 458960425 /nfs/dbraw/zinc/96/04/25/458960425.db2.gz LCWTVMHZXQXDBK-INIZCTEOSA-N 2 0 341.540 3.340 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531703562 458963612 /nfs/dbraw/zinc/96/36/12/458963612.db2.gz NOMMMKWBLKHAQQ-LJQANCHMSA-N 2 0 335.923 3.191 20 0 EGADRP CC1(C)CCC[N@@H+]1CCNC(=O)c1ccccc1Oc1ccncc1 ZINC000556705339 458992468 /nfs/dbraw/zinc/99/24/68/458992468.db2.gz MSKBCGFDVPANAR-UHFFFAOYSA-N 2 0 339.439 3.478 20 0 EGADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000577219324 459000552 /nfs/dbraw/zinc/00/05/52/459000552.db2.gz ZNELDRMBEGHNDK-HXUWFJFHSA-N 2 0 343.515 3.237 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531940976 459003449 /nfs/dbraw/zinc/00/34/49/459003449.db2.gz KRIYQYTYQOKOMM-IBGZPJMESA-N 2 0 335.923 3.335 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000531979777 459011151 /nfs/dbraw/zinc/01/11/51/459011151.db2.gz UXKVNXFBEAQENG-DOTOQJQBSA-N 2 0 331.495 3.206 20 0 EGADRP CN(C[C@H](O)C[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1)C1CC1 ZINC000519846564 459014740 /nfs/dbraw/zinc/01/47/40/459014740.db2.gz CLJDSZKJWYPNLG-GOHIESPPSA-N 2 0 328.500 3.400 20 0 EGADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476982803 459025636 /nfs/dbraw/zinc/02/56/36/459025636.db2.gz KKJLCYMGVGJLDK-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3C(C)(C)C)CC2)C1 ZINC000556898117 459029561 /nfs/dbraw/zinc/02/95/61/459029561.db2.gz GWOJXLTWKPQUQP-DLVXIWMQSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000520196749 459037910 /nfs/dbraw/zinc/03/79/10/459037910.db2.gz AQNXGTBUEMOVPS-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059405 459041418 /nfs/dbraw/zinc/04/14/18/459041418.db2.gz XOGYMAVMDQEJSW-BLLLJJGKSA-N 2 0 331.287 3.347 20 0 EGADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879970 459050161 /nfs/dbraw/zinc/05/01/61/459050161.db2.gz XOCCTGQZSMTHRZ-GOSISDBHSA-N 2 0 331.548 3.358 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881580 459051835 /nfs/dbraw/zinc/05/18/35/459051835.db2.gz ZRFHUQIDIFYCSO-IBGZPJMESA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442890520 459055547 /nfs/dbraw/zinc/05/55/47/459055547.db2.gz OMFIZUXASOVQJO-KXBFYZLASA-N 2 0 333.495 3.065 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442929023 459063324 /nfs/dbraw/zinc/06/33/24/459063324.db2.gz QNDLBHUUMYWARU-LJQANCHMSA-N 2 0 340.515 3.417 20 0 EGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443057571 459079200 /nfs/dbraw/zinc/07/92/00/459079200.db2.gz HAEYWRBCUUIGKP-SJORKVTESA-N 2 0 339.483 3.078 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060132 459080708 /nfs/dbraw/zinc/08/07/08/459080708.db2.gz OFDWWZQEWWPBPO-STQMWFEESA-N 2 0 343.393 3.093 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000478395453 459087960 /nfs/dbraw/zinc/08/79/60/459087960.db2.gz BHDQDWKHMGPSKX-WOJBJXKFSA-N 2 0 345.531 3.103 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cc(F)ccc1F ZINC000479071322 459119950 /nfs/dbraw/zinc/11/99/50/459119950.db2.gz RAXDAEPMQSECSF-KBXCAEBGSA-N 2 0 326.431 3.220 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000578349621 459185886 /nfs/dbraw/zinc/18/58/86/459185886.db2.gz IRTDKDIUMXKCLY-PXNSSMCTSA-N 2 0 348.531 3.145 20 0 EGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480725609 459214784 /nfs/dbraw/zinc/21/47/84/459214784.db2.gz YWQDGEBGDSYKOY-RDGPPVDQSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000496542856 459233460 /nfs/dbraw/zinc/23/34/60/459233460.db2.gz NVRDFVLIVNNIIP-QZTJIDSGSA-N 2 0 345.487 3.019 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000481313562 459244789 /nfs/dbraw/zinc/24/47/89/459244789.db2.gz OAAQESBZGJYALZ-OAQYLSRUSA-N 2 0 329.532 3.363 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)C1 ZINC000568249602 459258457 /nfs/dbraw/zinc/25/84/57/459258457.db2.gz VVEBFXKOSBVWLU-ROUUACIJSA-N 2 0 341.430 3.438 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000496670368 459280055 /nfs/dbraw/zinc/28/00/55/459280055.db2.gz AZHPHQMPLYGODZ-BZSNNMDCSA-N 2 0 345.487 3.018 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000568399284 459281578 /nfs/dbraw/zinc/28/15/78/459281578.db2.gz HZCNAFBRLIDDIY-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000568901180 459364559 /nfs/dbraw/zinc/36/45/59/459364559.db2.gz OMVSQQKAAUBDKL-ARFHVFGLSA-N 2 0 329.410 3.168 20 0 EGADRP C[C@@H]1CCN(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000560528451 459365966 /nfs/dbraw/zinc/36/59/66/459365966.db2.gz GDXDOTOGTVBXQB-KMFTYDHNSA-N 3 0 329.532 3.361 20 0 EGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000560594061 459377267 /nfs/dbraw/zinc/37/72/67/459377267.db2.gz FRSQQESWDMQUMM-UZLBHIALSA-N 2 0 334.479 3.431 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)N1CCCC[C@H]1C ZINC000496991505 459397754 /nfs/dbraw/zinc/39/77/54/459397754.db2.gz BKAMNHMTPHWOKI-OAGGEKHMSA-N 2 0 339.524 3.094 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000524907415 459403494 /nfs/dbraw/zinc/40/34/94/459403494.db2.gz DSYAAKXGTYDRIG-UHFFFAOYSA-N 2 0 348.878 3.206 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000497008162 459403616 /nfs/dbraw/zinc/40/36/16/459403616.db2.gz AJQVCQHPPSRCNN-GTPINHCMSA-N 2 0 339.524 3.286 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000569187646 459409734 /nfs/dbraw/zinc/40/97/34/459409734.db2.gz RESQSGOTFOVUCG-UHFFFAOYSA-N 2 0 348.293 3.250 20 0 EGADRP COc1cc(F)c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1OC ZINC000569346547 459435065 /nfs/dbraw/zinc/43/50/65/459435065.db2.gz ZIXUMJDFFFIZKP-UHFFFAOYSA-N 2 0 332.419 3.194 20 0 EGADRP COc1cccc([C@H](CN[C@H]2CCCCC[C@H]2[NH3+])[NH+]2CCCC2)c1 ZINC000569349525 459436511 /nfs/dbraw/zinc/43/65/11/459436511.db2.gz JGQMEROBFGOGLE-AABGKKOBSA-N 2 0 331.504 3.082 20 0 EGADRP C[C@@H]1CCC[C@]1(O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000582858500 459440569 /nfs/dbraw/zinc/44/05/69/459440569.db2.gz GUZSNGBEZLMJSR-BEFAXECRSA-N 2 0 336.907 3.445 20 0 EGADRP C[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000525488377 459459266 /nfs/dbraw/zinc/45/92/66/459459266.db2.gz OHJFKMNUJYCDTD-AWEZNQCLSA-N 2 0 341.293 3.102 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497177392 459474159 /nfs/dbraw/zinc/47/41/59/459474159.db2.gz KDOSCYGPZOISKC-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000569855843 459520585 /nfs/dbraw/zinc/52/05/85/459520585.db2.gz HPKQKTQFYWWUNU-ZDUSSCGKSA-N 2 0 334.414 3.175 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000525996311 459527544 /nfs/dbraw/zinc/52/75/44/459527544.db2.gz GZCQNVMWAREKPC-IRXDYDNUSA-N 2 0 346.515 3.322 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000542501686 459563110 /nfs/dbraw/zinc/56/31/10/459563110.db2.gz CMMOXCHSEISZQW-JKSUJKDBSA-N 2 0 333.520 3.399 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000583733995 459588140 /nfs/dbraw/zinc/58/81/40/459588140.db2.gz CVCDPJVNCUQMLM-RACPOZDESA-N 2 0 327.516 3.190 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)(F)F)[C@H]1c1cccs1 ZINC000583867302 459609432 /nfs/dbraw/zinc/60/94/32/459609432.db2.gz ZHNOVLPWRQVJGH-KWCYVHTRSA-N 2 0 336.423 3.034 20 0 EGADRP c1c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000584100701 459654280 /nfs/dbraw/zinc/65/42/80/459654280.db2.gz NSEVIUBDYIDRQJ-QGZVFWFLSA-N 2 0 347.466 3.024 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000562957105 459679779 /nfs/dbraw/zinc/67/97/79/459679779.db2.gz WJGISCDIGDCZFY-WCIQWLHISA-N 2 0 334.479 3.149 20 0 EGADRP Clc1cnc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000527637563 459679905 /nfs/dbraw/zinc/67/99/05/459679905.db2.gz MISZOFYMJMILGL-SNVBAGLBSA-N 2 0 344.684 3.071 20 0 EGADRP CCCC[NH+]1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527648509 459684049 /nfs/dbraw/zinc/68/40/49/459684049.db2.gz GJPWAULEIQBRQJ-UHFFFAOYSA-N 2 0 344.272 3.337 20 0 EGADRP FC(F)(F)c1cccc(OCCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000584232578 459686494 /nfs/dbraw/zinc/68/64/94/459686494.db2.gz ZOXOVSLFHMVROZ-GJZGRUSLSA-N 2 0 342.405 3.406 20 0 EGADRP Clc1ccc([C@@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1Cl ZINC000563155223 459726573 /nfs/dbraw/zinc/72/65/73/459726573.db2.gz NNNZCSCOIFKPEY-INIZCTEOSA-N 2 0 328.287 3.036 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](CN(C)CC[C@H]3CCC[N@@H+]3C)C2)s1 ZINC000563214695 459740196 /nfs/dbraw/zinc/74/01/96/459740196.db2.gz CVRKRXICARLHIW-QZTJIDSGSA-N 2 0 335.561 3.295 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784203 459743676 /nfs/dbraw/zinc/74/36/76/459743676.db2.gz CXESEBBYKSSNAG-RTBURBONSA-N 2 0 336.907 3.194 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC12CC2 ZINC000527853291 459758700 /nfs/dbraw/zinc/75/87/00/459758700.db2.gz UHHYFUGKWUNJNG-YSIASYRMSA-N 2 0 327.516 3.143 20 0 EGADRP CC[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)OCCc2ccccc21 ZINC000584559495 459767504 /nfs/dbraw/zinc/76/75/04/459767504.db2.gz SUNGKTXSXGWXJT-NRFANRHFSA-N 2 0 328.500 3.329 20 0 EGADRP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160759 459805134 /nfs/dbraw/zinc/80/51/34/459805134.db2.gz BAJAGXKTGYGNLD-LKFCYVNXSA-N 2 0 337.678 3.364 20 0 EGADRP CCc1cccc2cc(C[N@H+]3CC[C@H](N4CC[NH+](CC)CC4)C3)oc21 ZINC000597004320 459816384 /nfs/dbraw/zinc/81/63/84/459816384.db2.gz ZYEZXHAMCMRXCZ-IBGZPJMESA-N 2 0 341.499 3.207 20 0 EGADRP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000574792266 459873465 /nfs/dbraw/zinc/87/34/65/459873465.db2.gz XZBMHKRCTNIFNN-BURNTYAHSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000621502383 459934466 /nfs/dbraw/zinc/93/44/66/459934466.db2.gz KRIYSVITWOBDQC-VQIMIIECSA-N 2 0 331.504 3.051 20 0 EGADRP Cc1cccc(OCC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710064 459974610 /nfs/dbraw/zinc/97/46/10/459974610.db2.gz GYTFJPAFXFIAQA-OALUTQOASA-N 2 0 346.515 3.195 20 0 EGADRP Fc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000575965433 460041693 /nfs/dbraw/zinc/04/16/93/460041693.db2.gz RCZFJUXZQOEBHN-KRWDZBQOSA-N 2 0 331.479 3.116 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc21 ZINC000621756299 460051154 /nfs/dbraw/zinc/05/11/54/460051154.db2.gz KLTPIQMUOXHOAE-UYAOXDASSA-N 2 0 343.515 3.442 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000576090917 460067734 /nfs/dbraw/zinc/06/77/34/460067734.db2.gz XYZKITKMXLHOLB-UHFFFAOYSA-N 2 0 346.519 3.380 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000576268602 460104186 /nfs/dbraw/zinc/10/41/86/460104186.db2.gz NLRMTMOMAKISRX-RDTXWAMCSA-N 2 0 334.410 3.379 20 0 EGADRP Cc1ccc(C(=O)N2CCC([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000576388800 460131465 /nfs/dbraw/zinc/13/14/65/460131465.db2.gz KKIBMMUZYSRVSU-RTWAWAEBSA-N 2 0 349.478 3.334 20 0 EGADRP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000589743160 460135172 /nfs/dbraw/zinc/13/51/72/460135172.db2.gz AALIKDQBITYHEK-HKUYNNGSSA-N 2 0 344.499 3.363 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599310367 460225822 /nfs/dbraw/zinc/22/58/22/460225822.db2.gz WKUZYXROTLSRAF-FXAWDEMLSA-N 2 0 343.515 3.019 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622394613 460257689 /nfs/dbraw/zinc/25/76/89/460257689.db2.gz ORSSWWUBFCOUQZ-PKOBYXMFSA-N 2 0 335.536 3.116 20 0 EGADRP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000622507910 460269965 /nfs/dbraw/zinc/26/99/65/460269965.db2.gz FNLZKJKJICKDIY-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2COc3ccccc3O2)C1 ZINC000603740924 460338512 /nfs/dbraw/zinc/33/85/12/460338512.db2.gz XUXUEDMPSCTFRB-CEXWTWQISA-N 2 0 344.499 3.413 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000619513034 460371946 /nfs/dbraw/zinc/37/19/46/460371946.db2.gz FPRSROGEFJSBAE-BRWVUGGUSA-N 2 0 349.519 3.218 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000600122306 460390593 /nfs/dbraw/zinc/39/05/93/460390593.db2.gz CILOFKYQJCGLBH-UHFFFAOYSA-N 2 0 349.519 3.362 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000631603665 460468896 /nfs/dbraw/zinc/46/88/96/460468896.db2.gz ZJUORHSCIJJGAL-ACRUOGEOSA-N 2 0 344.499 3.040 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000634684006 460476076 /nfs/dbraw/zinc/47/60/76/460476076.db2.gz DWYRDXSEPOHRRG-KRWDZBQOSA-N 2 0 332.488 3.207 20 0 EGADRP CC[NH+]1CCC(N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC000631660581 460495546 /nfs/dbraw/zinc/49/55/46/460495546.db2.gz SKBPIPOKCJBJLK-QGZVFWFLSA-N 2 0 343.437 3.382 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccc1OC(F)F ZINC000634733056 460498768 /nfs/dbraw/zinc/49/87/68/460498768.db2.gz WGDDQJVEZIHVGQ-CYBMUJFWSA-N 2 0 328.403 3.164 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623402223 460528501 /nfs/dbraw/zinc/52/85/01/460528501.db2.gz CGFLLSNTOYUAPB-ZDUSSCGKSA-N 2 0 349.466 3.130 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000629551606 460804154 /nfs/dbraw/zinc/80/41/54/460804154.db2.gz WGVKCQHEMPGMGC-RYGJVYDSSA-N 2 0 326.484 3.459 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000617341332 460817918 /nfs/dbraw/zinc/81/79/18/460817918.db2.gz OJFPEEJOJYELRZ-IBGZPJMESA-N 2 0 343.515 3.275 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000617345118 460821210 /nfs/dbraw/zinc/82/12/10/460821210.db2.gz XKHZQEDLCMEZSO-LJQANCHMSA-N 2 0 343.515 3.275 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)c1OC ZINC000624122872 460872970 /nfs/dbraw/zinc/87/29/70/460872970.db2.gz AHWSFTNWEHNQEJ-WBVHZDCISA-N 2 0 334.504 3.265 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183146 461036445 /nfs/dbraw/zinc/03/64/45/461036445.db2.gz RVWVCTPRTXVWNY-ZFWWWQNUSA-N 2 0 325.447 3.335 20 0 EGADRP Cc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ncc1Br ZINC000628281431 461071487 /nfs/dbraw/zinc/07/14/87/461071487.db2.gz YWBOFJMABCSXEO-CZUORRHYSA-N 2 0 338.293 3.069 20 0 EGADRP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652346891 461141278 /nfs/dbraw/zinc/14/12/78/461141278.db2.gz LAVSAXHOOQDVSD-ZJOUEHCJSA-N 2 0 346.515 3.291 20 0 EGADRP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000662261726 461149643 /nfs/dbraw/zinc/14/96/43/461149643.db2.gz NEHZWPQSWVCPHT-FQEVSTJZSA-N 2 0 338.499 3.200 20 0 EGADRP C[C@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652354185 461149767 /nfs/dbraw/zinc/14/97/67/461149767.db2.gz PEQKABXQMRMPCR-RDJZCZTQSA-N 2 0 328.460 3.119 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nc3ccccc3s2)C1 ZINC000652363988 461158172 /nfs/dbraw/zinc/15/81/72/461158172.db2.gz UFESOUOHYLGHEL-BMFZPTHFSA-N 2 0 331.485 3.157 20 0 EGADRP Fc1ccc(SCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000662275130 461160633 /nfs/dbraw/zinc/16/06/33/461160633.db2.gz SLEJJQKEMPHAOY-KGLIPLIRSA-N 2 0 326.456 3.378 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290550 461167729 /nfs/dbraw/zinc/16/77/29/461167729.db2.gz VZIHRUPMXPWWQF-LPHOPBHVSA-N 2 0 343.515 3.288 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000662312050 461184209 /nfs/dbraw/zinc/18/42/09/461184209.db2.gz FLLGSTVWPSRUFT-UYAOXDASSA-N 2 0 332.488 3.019 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662311539 461184331 /nfs/dbraw/zinc/18/43/31/461184331.db2.gz BSKRJGLRSVTOCK-IEBWSBKVSA-N 2 0 326.488 3.271 20 0 EGADRP CC[C@@H](OCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000649569793 461184902 /nfs/dbraw/zinc/18/49/02/461184902.db2.gz ANFCUSLMRVWWAJ-OAQYLSRUSA-N 2 0 347.547 3.112 20 0 EGADRP Cc1ncc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)s1 ZINC000662327544 461195438 /nfs/dbraw/zinc/19/54/38/461195438.db2.gz RLLZNQLUEYFIEM-UHFFFAOYSA-N 2 0 345.516 3.021 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000638050784 461214460 /nfs/dbraw/zinc/21/44/60/461214460.db2.gz RQIKYUOXKNZSTL-ZFWWWQNUSA-N 2 0 338.521 3.077 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000662524763 461282083 /nfs/dbraw/zinc/28/20/83/461282083.db2.gz OKDUXSQCVGTFAM-FQEVSTJZSA-N 2 0 335.451 3.456 20 0 EGADRP C[C@H](CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000665821615 461288562 /nfs/dbraw/zinc/28/85/62/461288562.db2.gz QOBLLSBWNSTIFL-QGZVFWFLSA-N 2 0 346.519 3.177 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662593754 461310421 /nfs/dbraw/zinc/31/04/21/461310421.db2.gz QFSMUOICTDLZOK-MSOLQXFVSA-N 2 0 337.552 3.301 20 0 EGADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641799183 461377496 /nfs/dbraw/zinc/37/74/96/461377496.db2.gz OBCNGFSJKJQIFH-MSOLQXFVSA-N 2 0 325.456 3.472 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638368306 461389986 /nfs/dbraw/zinc/38/99/86/461389986.db2.gz VLTUTSPCPFYIMZ-SFHVURJKSA-N 2 0 340.515 3.374 20 0 EGADRP COc1cccc(C)c1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000638381382 461398016 /nfs/dbraw/zinc/39/80/16/461398016.db2.gz JKIOFBFCXBASIX-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCOC1 ZINC000638444991 461429510 /nfs/dbraw/zinc/42/95/10/461429510.db2.gz HDYUZLUAFIYBQJ-LEWJYISDSA-N 2 0 346.515 3.204 20 0 EGADRP Cn1c(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc2ccccc21 ZINC000638447612 461432863 /nfs/dbraw/zinc/43/28/63/461432863.db2.gz HHWZNJNKXILSJP-UHFFFAOYSA-N 2 0 337.467 3.409 20 0 EGADRP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659836926 461446156 /nfs/dbraw/zinc/44/61/56/461446156.db2.gz CXLIDIIQWRNSJT-VAMGGRTRSA-N 2 0 347.547 3.022 20 0 EGADRP CC1(c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000647145530 461521379 /nfs/dbraw/zinc/52/13/79/461521379.db2.gz YGEARGWOKCVKDF-INIZCTEOSA-N 2 0 326.444 3.048 20 0 EGADRP Cc1cnc(CNCc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000638670280 461525227 /nfs/dbraw/zinc/52/52/27/461525227.db2.gz DEPBNSAYLLODLG-UHFFFAOYSA-N 2 0 325.412 3.498 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)c1 ZINC000647151799 461529001 /nfs/dbraw/zinc/52/90/01/461529001.db2.gz PLICPGSXWPLXSS-ZBFHGGJFSA-N 2 0 330.407 3.013 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2Sc3ccccc3NC2=O)C[C@@H]1C ZINC000659983089 461529147 /nfs/dbraw/zinc/52/91/47/461529147.db2.gz DEUGCNLBZXLAAI-RLFYNMQTSA-N 2 0 347.528 3.294 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659982453 461529425 /nfs/dbraw/zinc/52/94/25/461529425.db2.gz NHTDXVRWKDMMDD-QAPCUYQASA-N 2 0 347.528 3.153 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663343829 461571336 /nfs/dbraw/zinc/57/13/36/461571336.db2.gz GMOLHMLAVHQREL-FXAWDEMLSA-N 2 0 328.500 3.264 20 0 EGADRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(-c2ccccc2)n1 ZINC000663345019 461574744 /nfs/dbraw/zinc/57/47/44/461574744.db2.gz FNKDENYXYVNDMC-SFHVURJKSA-N 2 0 338.499 3.299 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638781531 461575795 /nfs/dbraw/zinc/57/57/95/461575795.db2.gz VONJJEWYXMFWAL-OJAWGZOXSA-N 2 0 339.527 3.427 20 0 EGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCC2CCC2)CC1 ZINC000660119765 461593256 /nfs/dbraw/zinc/59/32/56/461593256.db2.gz WWOGMIFFEOIAFE-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838515 461607399 /nfs/dbraw/zinc/60/73/99/461607399.db2.gz KTLOCZHKURWFCC-CTNGQTDRSA-N 2 0 325.500 3.206 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647282678 461611274 /nfs/dbraw/zinc/61/12/74/461611274.db2.gz LNUUCJTXVXCPDW-NRFANRHFSA-N 2 0 347.547 3.400 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(OC)ns2)CC1)CC1CC1 ZINC000660168183 461619824 /nfs/dbraw/zinc/61/98/24/461619824.db2.gz IETSNIBECBENOZ-UHFFFAOYSA-N 2 0 337.533 3.486 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](O)C(C)C ZINC000666446722 461631704 /nfs/dbraw/zinc/63/17/04/461631704.db2.gz JPVXRMHJMVMHOR-PMACEKPBSA-N 2 0 334.504 3.046 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638915398 461647866 /nfs/dbraw/zinc/64/78/66/461647866.db2.gz LQTUDZYSJRLTGL-YJBOKZPZSA-N 2 0 327.447 3.408 20 0 EGADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663464644 461652675 /nfs/dbraw/zinc/65/26/75/461652675.db2.gz FOAIDVYTNSVGBB-IEBWSBKVSA-N 2 0 328.500 3.264 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(OC)ns2)CC1 ZINC000660241072 461659751 /nfs/dbraw/zinc/65/97/51/461659751.db2.gz BWXXLVNPSGGCSH-UHFFFAOYSA-N 2 0 325.522 3.486 20 0 EGADRP Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000656230746 461660608 /nfs/dbraw/zinc/66/06/08/461660608.db2.gz ORMNLGZSKHWITN-QGZVFWFLSA-N 2 0 343.446 3.373 20 0 EGADRP COc1cccc([C@@H](C)[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000663544964 461698328 /nfs/dbraw/zinc/69/83/28/461698328.db2.gz UXUUXOKPKWMJEG-OAHLLOKOSA-N 2 0 336.439 3.455 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c(F)c1 ZINC000643462944 461734890 /nfs/dbraw/zinc/73/48/90/461734890.db2.gz RDYBHPCXZSDYQR-OGWHTMIXSA-N 2 0 349.469 3.444 20 0 EGADRP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647498619 461737213 /nfs/dbraw/zinc/73/72/13/461737213.db2.gz LEHZFYNAVSHAEX-YOEHRIQHSA-N 2 0 338.455 3.393 20 0 EGADRP CC[C@H]1C[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC[C@H]1[NH3+] ZINC000647498774 461738349 /nfs/dbraw/zinc/73/83/49/461738349.db2.gz QGTTYZLHWYXCSD-PZJWPPBQSA-N 2 0 340.515 3.416 20 0 EGADRP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000647511769 461742201 /nfs/dbraw/zinc/74/22/01/461742201.db2.gz AYIUHBISYGHLNR-OWLYRPNTSA-N 2 0 332.488 3.432 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643486546 461742677 /nfs/dbraw/zinc/74/26/77/461742677.db2.gz ZAOZUBAUBGAQKU-IAGOWNOFSA-N 2 0 340.515 3.475 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)C2 ZINC000643533749 461753784 /nfs/dbraw/zinc/75/37/84/461753784.db2.gz CSUUFFHTLXGQLF-HOTGVXAUSA-N 2 0 335.289 3.038 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000643533862 461754643 /nfs/dbraw/zinc/75/46/43/461754643.db2.gz GEFFXTUUYBTACJ-NHYWBVRUSA-N 2 0 326.387 3.089 20 0 EGADRP Brc1cc2c(s1)CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535545 461757593 /nfs/dbraw/zinc/75/75/93/461757593.db2.gz GEKPJTOAZLIVQL-PWSUYJOCSA-N 2 0 327.291 3.230 20 0 EGADRP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647549425 461762632 /nfs/dbraw/zinc/76/26/32/461762632.db2.gz ZBZHQGDDWVLJFH-QILLFSRXSA-N 2 0 341.430 3.491 20 0 EGADRP CC1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cccs2)CC1 ZINC000647550491 461762982 /nfs/dbraw/zinc/76/29/82/461762982.db2.gz UDRYCMOMMOPDTQ-INDMIFKZSA-N 2 0 347.572 3.499 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000653617352 461763559 /nfs/dbraw/zinc/76/35/59/461763559.db2.gz YWJZKGYYWWJSAR-MJGOQNOKSA-N 2 0 344.503 3.230 20 0 EGADRP c1cc2c(cc[nH+]c2NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[nH]1 ZINC000663844250 461833108 /nfs/dbraw/zinc/83/31/08/461833108.db2.gz AVYRWPJFGZFCQQ-KRWDZBQOSA-N 2 0 336.439 3.266 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000647786176 461834626 /nfs/dbraw/zinc/83/46/26/461834626.db2.gz JSZPJKMBEMHDJM-OKZBNKHCSA-N 2 0 332.488 3.004 20 0 EGADRP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789562 461835394 /nfs/dbraw/zinc/83/53/94/461835394.db2.gz HENVZHOUVLXPPL-QLFBSQMISA-N 2 0 328.378 3.105 20 0 EGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791922 461836800 /nfs/dbraw/zinc/83/68/00/461836800.db2.gz QOAKDMBYXUPOAE-GZBFAFLISA-N 2 0 328.378 3.062 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857820 461838507 /nfs/dbraw/zinc/83/85/07/461838507.db2.gz KLXDPOHQYZPNRQ-WCQYABFASA-N 2 0 329.257 3.251 20 0 EGADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000647795396 461838787 /nfs/dbraw/zinc/83/87/87/461838787.db2.gz PREZCFHXCWFESY-CORIIIEPSA-N 2 0 348.288 3.408 20 0 EGADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797836 461840489 /nfs/dbraw/zinc/84/04/89/461840489.db2.gz DMNMICAAYVMVGK-PNYFIKQUSA-N 2 0 326.484 3.058 20 0 EGADRP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798720 461841816 /nfs/dbraw/zinc/84/18/16/461841816.db2.gz WFJXOZVSVSCUOS-KBAYOESNSA-N 2 0 331.504 3.374 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1ccccc1CC(F)(F)F)CCO2 ZINC000639288655 461844793 /nfs/dbraw/zinc/84/47/93/461844793.db2.gz TVEKBJSKUQUJGD-UHFFFAOYSA-N 2 0 342.405 3.088 20 0 EGADRP Clc1ccccc1Cn1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cn1 ZINC000666901567 461860087 /nfs/dbraw/zinc/86/00/87/461860087.db2.gz GANYQVVIESYTJX-KRWDZBQOSA-N 2 0 332.879 3.207 20 0 EGADRP CC(C)CO[C@@H](C)c1noc(CN(C)CCCC2CC[NH2+]CC2)n1 ZINC000647890813 461872387 /nfs/dbraw/zinc/87/23/87/461872387.db2.gz YIMFMJSJSGYVJV-HNNXBMFYSA-N 2 0 338.496 3.015 20 0 EGADRP COc1ccc(-c2nc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cs2)cc1 ZINC000666950970 461884798 /nfs/dbraw/zinc/88/47/98/461884798.db2.gz UTAPFCVCKSMYSH-INIZCTEOSA-N 2 0 329.469 3.050 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785982 461895006 /nfs/dbraw/zinc/89/50/06/461895006.db2.gz OUNMMPAHJUEXBJ-KRWDZBQOSA-N 2 0 332.488 3.224 20 0 EGADRP c1cc(CCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc2c1OCC2 ZINC000656785802 461895909 /nfs/dbraw/zinc/89/59/09/461895909.db2.gz JQYYWMRVQLKUSO-FQEVSTJZSA-N 2 0 328.500 3.266 20 0 EGADRP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707154 461898872 /nfs/dbraw/zinc/89/88/72/461898872.db2.gz ZOTQMAWBSHQJTL-FDQGKXFDSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000650708057 461902394 /nfs/dbraw/zinc/90/23/94/461902394.db2.gz SQNAEQISYOTGRJ-LXZKKBNFSA-N 2 0 326.843 3.197 20 0 EGADRP CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660655147 461905325 /nfs/dbraw/zinc/90/53/25/461905325.db2.gz KOIODGXQJDNFEW-DNVCBOLYSA-N 2 0 347.528 3.153 20 0 EGADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998300 461906201 /nfs/dbraw/zinc/90/62/01/461906201.db2.gz MVCBYTYYYIXDJQ-IEBWSBKVSA-N 2 0 330.472 3.009 20 0 EGADRP C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000650718138 461909856 /nfs/dbraw/zinc/90/98/56/461909856.db2.gz ZMHVQFDVJNGWQS-JXFKEZNVSA-N 2 0 341.474 3.427 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650717856 461910220 /nfs/dbraw/zinc/91/02/20/461910220.db2.gz OPRBDLTXIRMLNG-CYBMUJFWSA-N 2 0 332.419 3.022 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650723035 461914566 /nfs/dbraw/zinc/91/45/66/461914566.db2.gz GOIPAUMJGISINV-QOJCHSLYSA-N 2 0 332.488 3.160 20 0 EGADRP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975744 461916958 /nfs/dbraw/zinc/91/69/58/461916958.db2.gz FKCQFHMLOSCOSN-SJORKVTESA-N 2 0 340.471 3.257 20 0 EGADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976326 461918925 /nfs/dbraw/zinc/91/89/25/461918925.db2.gz NCCHGPKYLNBNAB-OALUTQOASA-N 2 0 343.515 3.208 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000647976298 461919424 /nfs/dbraw/zinc/91/94/24/461919424.db2.gz MRZWJDVUHIKFNH-HOTGVXAUSA-N 2 0 349.906 3.380 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977951 461920763 /nfs/dbraw/zinc/92/07/63/461920763.db2.gz KCLLBRAVDFGTHI-YTQUADARSA-N 2 0 343.515 3.288 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647978894 461920991 /nfs/dbraw/zinc/92/09/91/461920991.db2.gz ZXQYTKKWVCQMKC-IPMKNSEASA-N 2 0 343.515 3.342 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650751851 461933817 /nfs/dbraw/zinc/93/38/17/461933817.db2.gz CLPVYZNLZGQQHU-KKSFZXQISA-N 2 0 341.474 3.285 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650754410 461935050 /nfs/dbraw/zinc/93/50/50/461935050.db2.gz IIZYEWCUXSVRBS-NSHDSACASA-N 2 0 337.464 3.089 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)CC2 ZINC000650754611 461935572 /nfs/dbraw/zinc/93/55/72/461935572.db2.gz MLPYINCAKZWSFY-KRWDZBQOSA-N 2 0 330.403 3.079 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000650762324 461940527 /nfs/dbraw/zinc/94/05/27/461940527.db2.gz ZYJXMLZONHOOML-MOPGFXCFSA-N 2 0 336.907 3.409 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000650761704 461940721 /nfs/dbraw/zinc/94/07/21/461940721.db2.gz IJUYSVOOELPGPY-KRWDZBQOSA-N 2 0 332.879 3.142 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763680 461941621 /nfs/dbraw/zinc/94/16/21/461941621.db2.gz GYMFBHGFYSTJDZ-GFCCVEGCSA-N 2 0 343.284 3.499 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000650763197 461942570 /nfs/dbraw/zinc/94/25/70/461942570.db2.gz UOSTVKOHUULRTP-JTQLQIEISA-N 2 0 330.245 3.024 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000667196884 461991639 /nfs/dbraw/zinc/99/16/39/461991639.db2.gz GXCLOKGAJOQHFZ-FUHWJXTLSA-N 2 0 344.503 3.230 20 0 EGADRP NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000664384005 462039873 /nfs/dbraw/zinc/03/98/73/462039873.db2.gz BQPORDJNXCJCAY-SFHVURJKSA-N 2 0 343.515 3.150 20 0 EGADRP COc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c2ccccc21 ZINC000639754806 462091934 /nfs/dbraw/zinc/09/19/34/462091934.db2.gz AUBXKUGFCALHDY-UHFFFAOYSA-N 2 0 325.456 3.161 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cc21 ZINC000657398927 462096823 /nfs/dbraw/zinc/09/68/23/462096823.db2.gz FZXYJRPQFASIAC-NHCUHLMSSA-N 2 0 341.499 3.334 20 0 EGADRP Cc1cccc2[nH]c(CNc3c[nH+]ccc3N3CC[NH+](C)CC3)cc21 ZINC000657415943 462109333 /nfs/dbraw/zinc/10/93/33/462109333.db2.gz IDERKECEKGFVTP-UHFFFAOYSA-N 2 0 335.455 3.235 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667534869 462132018 /nfs/dbraw/zinc/13/20/18/462132018.db2.gz NPWHPKZHOMCFKI-OAQYLSRUSA-N 2 0 346.515 3.407 20 0 EGADRP Clc1cnc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657612952 462203737 /nfs/dbraw/zinc/20/37/37/462203737.db2.gz GSNKLIFRANSKJM-UHFFFAOYSA-N 2 0 336.892 3.193 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000645155429 462205309 /nfs/dbraw/zinc/20/53/09/462205309.db2.gz VZCSWXOBRUGORP-FQEVSTJZSA-N 2 0 327.516 3.212 20 0 EGADRP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000657675448 462225648 /nfs/dbraw/zinc/22/56/48/462225648.db2.gz VGYPYPBQTMHHFM-IBGZPJMESA-N 2 0 345.531 3.124 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000667731550 462235904 /nfs/dbraw/zinc/23/59/04/462235904.db2.gz WSAYMHCHRDUYOH-UHFFFAOYSA-N 2 0 344.503 3.265 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000648728420 462248179 /nfs/dbraw/zinc/24/81/79/462248179.db2.gz ZBRIWMQWAXPPDJ-GOSISDBHSA-N 2 0 332.488 3.066 20 0 EGADRP Brc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nc1 ZINC000657813483 462279214 /nfs/dbraw/zinc/27/92/14/462279214.db2.gz PLRURBBFCSVMGR-UHFFFAOYSA-N 2 0 338.293 3.056 20 0 EGADRP C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000657834289 462289765 /nfs/dbraw/zinc/28/97/65/462289765.db2.gz ZXRHJGAAWPRXPJ-KRWDZBQOSA-N 2 0 349.482 3.185 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000657868657 462303399 /nfs/dbraw/zinc/30/33/99/462303399.db2.gz CMXXAEUOFKDOIV-APWZRJJASA-N 2 0 337.939 3.134 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC000651709573 462310948 /nfs/dbraw/zinc/31/09/48/462310948.db2.gz AFXPWTHMFWBFIX-LAUBAEHRSA-N 2 0 330.516 3.402 20 0 EGADRP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000651728230 462317486 /nfs/dbraw/zinc/31/74/86/462317486.db2.gz PSESBYBAGKTPJC-LJQANCHMSA-N 2 0 348.531 3.184 20 0 EGADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000665253437 462370838 /nfs/dbraw/zinc/37/08/38/462370838.db2.gz QQXNTVAUPLESNC-WNISUXOKSA-N 2 0 343.421 3.145 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@@H](C)C1 ZINC000658106695 462387636 /nfs/dbraw/zinc/38/76/36/462387636.db2.gz AUEVSLRDAJZNHD-ZWKOTPCHSA-N 2 0 342.568 3.290 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658163720 462413081 /nfs/dbraw/zinc/41/30/81/462413081.db2.gz AESCBQYBMLQXIO-VQTJNVASSA-N 2 0 345.531 3.475 20 0 EGADRP CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000649211577 462440531 /nfs/dbraw/zinc/44/05/31/462440531.db2.gz VNNAPABVJZWOBW-KVPLUYHFSA-N 2 0 345.531 3.208 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000649211578 462440960 /nfs/dbraw/zinc/44/09/60/462440960.db2.gz VNNAPABVJZWOBW-ONCXSQPRSA-N 2 0 345.531 3.208 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000649293875 462469072 /nfs/dbraw/zinc/46/90/72/462469072.db2.gz NSGDYPDFZYMPRI-QGZVFWFLSA-N 2 0 337.895 3.111 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000645964238 462480192 /nfs/dbraw/zinc/48/01/92/462480192.db2.gz WFUYGNHLLLGCIM-WBVHZDCISA-N 2 0 331.504 3.010 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658357641 462488431 /nfs/dbraw/zinc/48/84/31/462488431.db2.gz UWRZMTXFEGXRCD-QGZVFWFLSA-N 2 0 346.515 3.484 20 0 EGADRP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCCC2CC[NH2+]CC2)cn1 ZINC000649412189 462502121 /nfs/dbraw/zinc/50/21/21/462502121.db2.gz SDMSMJHMTBGXKR-HXUWFJFHSA-N 2 0 344.478 3.360 20 0 EGADRP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000649418544 462504342 /nfs/dbraw/zinc/50/43/42/462504342.db2.gz UWFUPHHIYLHGJY-IRXDYDNUSA-N 2 0 325.456 3.472 20 0 EGADRP C[C@H]1C[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000166275547 534112795 /nfs/dbraw/zinc/11/27/95/534112795.db2.gz KXEZRBIIHMNXMG-JXFKEZNVSA-N 2 0 345.506 3.047 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000191265353 529148072 /nfs/dbraw/zinc/14/80/72/529148072.db2.gz DPBJCUVHHBJVEH-KGLIPLIRSA-N 2 0 329.941 3.326 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000191265387 529148129 /nfs/dbraw/zinc/14/81/29/529148129.db2.gz DPBJCUVHHBJVEH-ZIAGYGMSSA-N 2 0 329.941 3.326 20 0 EGADRP COc1ccc(-c2nc(C[NH+]3CCC(C[NH+](C)C)CC3)co2)cc1 ZINC000341198527 536512866 /nfs/dbraw/zinc/51/28/66/536512866.db2.gz WPAFCAUKUADAFH-UHFFFAOYSA-N 2 0 329.444 3.124 20 0 EGADRP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)n2)c1 ZINC000080959801 546603086 /nfs/dbraw/zinc/60/30/86/546603086.db2.gz ZPJWKMTZXUXZFT-AWEZNQCLSA-N 2 0 325.391 3.114 20 0 EGADRP CCC[NH+]1CCC(NCc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000122397630 546733374 /nfs/dbraw/zinc/73/33/74/546733374.db2.gz YRKIOQJTHIRFGA-UHFFFAOYSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000156346352 546910021 /nfs/dbraw/zinc/91/00/21/546910021.db2.gz ACROOMZAZBOQDA-QGZVFWFLSA-N 2 0 339.483 3.481 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000163950413 546976336 /nfs/dbraw/zinc/97/63/36/546976336.db2.gz XQAGEIOAOOCEIN-GOSISDBHSA-N 3 0 329.532 3.492 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2c[nH]nc2C)cc1 ZINC000180143050 547052770 /nfs/dbraw/zinc/05/27/70/547052770.db2.gz DXFXTFJOYASUBM-OAHLLOKOSA-N 2 0 330.476 3.290 20 0 EGADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000181060689 547064706 /nfs/dbraw/zinc/06/47/06/547064706.db2.gz POHGGKOTDCFGJO-MRXNPFEDSA-N 2 0 342.487 3.086 20 0 EGADRP CCOC[C@@H]1CCC[N@H+](CC[C@H](C)[NH+]2CCC[C@H](COCC)C2)C1 ZINC000245696388 547267883 /nfs/dbraw/zinc/26/78/83/547267883.db2.gz SFHCCKPRXNUXSU-ZCNNSNEGSA-N 2 0 340.552 3.262 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000339240176 547571007 /nfs/dbraw/zinc/57/10/07/547571007.db2.gz ONGHNUVVUKTWGX-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348112203 547627686 /nfs/dbraw/zinc/62/76/86/547627686.db2.gz WFURPTOTNGGDPN-NHCUHLMSSA-N 2 0 327.516 3.102 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385723561 547822677 /nfs/dbraw/zinc/82/26/77/547822677.db2.gz JMSHXLUYZJPBDC-SFTDATJTSA-N 2 0 340.515 3.410 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000433124741 547897867 /nfs/dbraw/zinc/89/78/67/547897867.db2.gz FPEZLSWPVNOERG-GTPINHCMSA-N 2 0 349.485 3.361 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1(C)C ZINC000462902654 547944963 /nfs/dbraw/zinc/94/49/63/547944963.db2.gz OKEXEFGUVXVGGL-UHFFFAOYSA-N 2 0 329.532 3.460 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000548884967 548063056 /nfs/dbraw/zinc/06/30/56/548063056.db2.gz ISBSFVWXENZALL-PWRODBHTSA-N 2 0 327.516 3.102 20 0 EGADRP CCC[C@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000671726596 548344437 /nfs/dbraw/zinc/34/44/37/548344437.db2.gz NAWFPKJQVIUDHG-FQEVSTJZSA-N 2 0 332.488 3.210 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000672241762 548414480 /nfs/dbraw/zinc/41/44/80/548414480.db2.gz DALCAXGJWWPLBE-UHFFFAOYSA-N 2 0 349.519 3.460 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c1OC ZINC000673605065 548581591 /nfs/dbraw/zinc/58/15/91/548581591.db2.gz GOMJGBQHNRKANS-QGZVFWFLSA-N 2 0 334.504 3.470 20 0 EGADRP c1csc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000674046675 548680058 /nfs/dbraw/zinc/68/00/58/548680058.db2.gz YUCNSXDUNAICNR-UHFFFAOYSA-N 2 0 345.512 3.304 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675741444 548971462 /nfs/dbraw/zinc/97/14/62/548971462.db2.gz FKQIAFCLQKPXAP-MRXNPFEDSA-N 2 0 335.561 3.475 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742567 548971530 /nfs/dbraw/zinc/97/15/30/548971530.db2.gz SMADGCMDQYSDII-BEFAXECRSA-N 2 0 333.495 3.065 20 0 EGADRP C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)C1CC[NH+](C)CC1 ZINC000675744176 548972646 /nfs/dbraw/zinc/97/26/46/548972646.db2.gz GGAZNLCZPGHQND-ZDUSSCGKSA-N 2 0 344.425 3.222 20 0 EGADRP c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000675765713 548976049 /nfs/dbraw/zinc/97/60/49/548976049.db2.gz NTMWOHSXEFXCQW-IBGZPJMESA-N 2 0 340.471 3.052 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000675789728 548981412 /nfs/dbraw/zinc/98/14/12/548981412.db2.gz JWYWLJHVLGIIRQ-APWZRJJASA-N 2 0 329.488 3.395 20 0 EGADRP C([C@H]1CCCO1)[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000675883395 548996951 /nfs/dbraw/zinc/99/69/51/548996951.db2.gz ZOJXRDDMGFLAFO-OAQYLSRUSA-N 2 0 349.563 3.017 20 0 EGADRP C[C@@H](Cc1cccs1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000676069493 549032206 /nfs/dbraw/zinc/03/22/06/549032206.db2.gz UKMXAJZRULDMGO-HNNXBMFYSA-N 2 0 333.501 3.194 20 0 EGADRP COc1ccc(COCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000676712499 549133949 /nfs/dbraw/zinc/13/39/49/549133949.db2.gz JPTLXJGSFLZXCG-RXVVDRJESA-N 2 0 344.499 3.161 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000678132638 549405143 /nfs/dbraw/zinc/40/51/43/549405143.db2.gz HZZJQPSIGBENDD-UHFFFAOYSA-N 2 0 330.394 3.401 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000678142987 549408884 /nfs/dbraw/zinc/40/88/84/549408884.db2.gz RDRIREFLVVBHTH-HXUWFJFHSA-N 2 0 325.456 3.359 20 0 EGADRP CC(C)COc1cccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000678197417 549423906 /nfs/dbraw/zinc/42/39/06/549423906.db2.gz FACOBZWGYCKFCP-NRFANRHFSA-N 2 0 346.515 3.454 20 0 EGADRP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000678340799 549472939 /nfs/dbraw/zinc/47/29/39/549472939.db2.gz QWWCLVWJKGMSAN-WOJBJXKFSA-N 2 0 346.515 3.407 20 0 EGADRP CCC1(O)CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678548811 549518697 /nfs/dbraw/zinc/51/86/97/549518697.db2.gz PYXIETVNDYNTHM-VQSBYGRUSA-N 2 0 334.504 3.361 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1c2ccccc2CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000678766559 549556509 /nfs/dbraw/zinc/55/65/09/549556509.db2.gz MLOKTJRAYSJXCA-DZFGPLHGSA-N 2 0 329.532 3.172 20 0 EGADRP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000679721607 549768095 /nfs/dbraw/zinc/76/80/95/549768095.db2.gz PJBKEALBKNDJID-VAMGGRTRSA-N 2 0 328.500 3.182 20 0 EGADRP Cc1noc(C)c1[C@H](C)[NH2+]C/C=C/C[NH2+][C@@H](C)c1c(C)noc1C ZINC000680380115 549859183 /nfs/dbraw/zinc/85/91/83/549859183.db2.gz CQQCKVUUPCQBFK-BRQSLIGTSA-N 2 0 332.448 3.454 20 0 EGADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681368807 549987830 /nfs/dbraw/zinc/98/78/30/549987830.db2.gz FAGQSONBFWUPMU-PMACEKPBSA-N 2 0 334.504 3.310 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401525 549992743 /nfs/dbraw/zinc/99/27/43/549992743.db2.gz HIDFNIDNAMEFIP-UTKZUKDTSA-N 2 0 329.532 3.217 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2cnc(C)nc2C)CC1 ZINC000682069772 550068263 /nfs/dbraw/zinc/06/82/63/550068263.db2.gz AAVCDPJESNBXIK-QGZVFWFLSA-N 2 0 348.535 3.225 20 0 EGADRP COc1cc(C)c([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000682070154 550068753 /nfs/dbraw/zinc/06/87/53/550068753.db2.gz KIWQEJMWLVUVOF-ZWKOTPCHSA-N 2 0 348.531 3.398 20 0 EGADRP CC[C@@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[NH+](CC)CC ZINC000684850629 550376825 /nfs/dbraw/zinc/37/68/25/550376825.db2.gz BTKXSJYOCQFUHL-SFHVURJKSA-N 2 0 326.444 3.306 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000685452306 550417836 /nfs/dbraw/zinc/41/78/36/550417836.db2.gz FPKRYFYORAHBCF-HXUWFJFHSA-N 2 0 325.456 3.359 20 0 EGADRP Cc1cc(C)c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000685458042 550419264 /nfs/dbraw/zinc/41/92/64/550419264.db2.gz YVJWXLHQWGDFTK-NRFANRHFSA-N 2 0 329.532 3.212 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000685850673 550447983 /nfs/dbraw/zinc/44/79/83/550447983.db2.gz CVOVWRCELWQDMK-WOJBJXKFSA-N 2 0 344.499 3.161 20 0 EGADRP CC(C)(CO)[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000685851357 550448176 /nfs/dbraw/zinc/44/81/76/550448176.db2.gz OGFRTISOBWDQGL-HXUWFJFHSA-N 2 0 346.515 3.048 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@H](n4ccnc4)C3)cc(=O)oc2c1 ZINC000729265864 574834814 /nfs/dbraw/zinc/83/48/14/574834814.db2.gz QTHZPHQCLLQTBP-KRWDZBQOSA-N 2 0 337.423 3.389 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000733165832 575312070 /nfs/dbraw/zinc/31/20/70/575312070.db2.gz MXHAGCPCTUKHIR-IBGZPJMESA-N 2 0 333.520 3.235 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000743322653 576805723 /nfs/dbraw/zinc/80/57/23/576805723.db2.gz CFHQNCIIQGVXOL-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(N2CCC[C@H]([NH+]3CCC(CC[NH+](C)C)CC3)C2=O)cc1 ZINC000743843505 576816661 /nfs/dbraw/zinc/81/66/61/576816661.db2.gz UMEKRKFRZRSCDT-FQEVSTJZSA-N 2 0 343.515 3.154 20 0 EGADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000305891550 1297065076 /nfs/dbraw/zinc/06/50/76/1297065076.db2.gz WETBBCVYJJOHPW-DJIMGWMZSA-N 2 0 339.524 3.190 20 0 EGADRP CN(Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000688033236 1298121896 /nfs/dbraw/zinc/12/18/96/1298121896.db2.gz QCYVTWRMAXPKDQ-SFHVURJKSA-N 2 0 341.524 3.100 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000048779497 1291618370 /nfs/dbraw/zinc/61/83/70/1291618370.db2.gz BEONDAFEHJVKDH-MRXNPFEDSA-N 2 0 342.487 3.297 20 0 EGADRP C[C@H]1CCC[C@](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)(N(C)C)C1 ZINC000060528197 1291927530 /nfs/dbraw/zinc/92/75/30/1291927530.db2.gz OKGGNJSBMZRIBQ-RXVVDRJESA-N 2 0 347.547 3.227 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)CC1 ZINC000061070121 1291958935 /nfs/dbraw/zinc/95/89/35/1291958935.db2.gz MILKZYYAGOXPLE-UHFFFAOYSA-N 2 0 341.474 3.253 20 0 EGADRP Cc1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1F ZINC000067121434 1292148408 /nfs/dbraw/zinc/14/84/08/1292148408.db2.gz YZNRQZMOIWFICY-UHFFFAOYSA-N 2 0 341.474 3.171 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000069711229 1292249080 /nfs/dbraw/zinc/24/90/80/1292249080.db2.gz HFAZBNWRIYGYPM-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000073079443 1292304149 /nfs/dbraw/zinc/30/41/49/1292304149.db2.gz RYCUQLWACJHAHK-OAQYLSRUSA-N 2 0 345.531 3.042 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000827863285 1292390244 /nfs/dbraw/zinc/39/02/44/1292390244.db2.gz HEEIKYYTCGJXCS-MRXNPFEDSA-N 2 0 343.515 3.481 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864266 1292390280 /nfs/dbraw/zinc/39/02/80/1292390280.db2.gz UHXNUMAGJBAZAL-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc3cccnc32)c1 ZINC000075809358 1292412742 /nfs/dbraw/zinc/41/27/42/1292412742.db2.gz ZHUKXJRCIZQBOL-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP CC(=O)Nc1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000080374382 1292597215 /nfs/dbraw/zinc/59/72/15/1292597215.db2.gz XOILQSQNNYLVIZ-UHFFFAOYSA-N 2 0 331.504 3.493 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000097465636 1292961197 /nfs/dbraw/zinc/96/11/97/1292961197.db2.gz WIJIFZWTHITSHN-SFHVURJKSA-N 2 0 334.467 3.457 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000121584438 1293379493 /nfs/dbraw/zinc/37/94/93/1293379493.db2.gz KHVFBIRATBBRJS-IAGOWNOFSA-N 2 0 334.504 3.346 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000122358950 1293410321 /nfs/dbraw/zinc/41/03/21/1293410321.db2.gz QTWLDLXVXIODLA-UHFFFAOYSA-N 2 0 344.547 3.184 20 0 EGADRP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132385942 1293717587 /nfs/dbraw/zinc/71/75/87/1293717587.db2.gz GLZHFYDVBZMRAW-TZIWHRDSSA-N 2 0 331.548 3.178 20 0 EGADRP CCCn1nc(C)c(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c1C ZINC000133456816 1293745427 /nfs/dbraw/zinc/74/54/27/1293745427.db2.gz KVYZRCAJJODHQJ-UHFFFAOYSA-N 2 0 344.503 3.140 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000150989169 1293901549 /nfs/dbraw/zinc/90/15/49/1293901549.db2.gz HGVWFXUWERDYPS-ZDUSSCGKSA-N 2 0 347.272 3.035 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc2c(c1)CCCO2 ZINC000154184448 1294044202 /nfs/dbraw/zinc/04/42/02/1294044202.db2.gz VYVMIYFIONMZOW-RBUKOAKNSA-N 2 0 334.504 3.409 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000161981866 1294303967 /nfs/dbraw/zinc/30/39/67/1294303967.db2.gz QVUSAUPMWSUPIP-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183136492 1295101751 /nfs/dbraw/zinc/10/17/51/1295101751.db2.gz SZCMNPZYESOGGR-QFBILLFUSA-N 2 0 334.504 3.493 20 0 EGADRP CCCCC[C@H](C)NC(=O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675101 1295278382 /nfs/dbraw/zinc/27/83/82/1295278382.db2.gz FHYWCUWUBLJLGP-RCCFBDPRSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000187752439 1295413663 /nfs/dbraw/zinc/41/36/63/1295413663.db2.gz KPYNGZOZEFCHLG-DOTOQJQBSA-N 2 0 339.524 3.238 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c2ccccc2)CC1 ZINC000870871550 1296123107 /nfs/dbraw/zinc/12/31/07/1296123107.db2.gz FCNLPPKDDBRJRN-ZCNNSNEGSA-N 2 0 343.515 3.093 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000870957244 1296154739 /nfs/dbraw/zinc/15/47/39/1296154739.db2.gz BPQFBYFFSIIYEU-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000870958967 1296155473 /nfs/dbraw/zinc/15/54/73/1296155473.db2.gz OLVCORWHIOUESN-HXUWFJFHSA-N 2 0 345.531 3.306 20 0 EGADRP CCCC1CCC([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000236800137 1296203017 /nfs/dbraw/zinc/20/30/17/1296203017.db2.gz MJKRZNFUJMGAJA-UHFFFAOYSA-N 2 0 345.531 3.427 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000247223143 1296385016 /nfs/dbraw/zinc/38/50/16/1296385016.db2.gz WNSHJPFRMRSJAV-CVEARBPZSA-N 2 0 341.540 3.390 20 0 EGADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C)c1cc2ccccc2o1 ZINC000262016220 1296615230 /nfs/dbraw/zinc/61/52/30/1296615230.db2.gz FVHUEMIEFKYXNC-MRXNPFEDSA-N 2 0 343.471 3.028 20 0 EGADRP Fc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1-c1cccs1 ZINC000262111868 1296618550 /nfs/dbraw/zinc/61/85/50/1296618550.db2.gz KOLNAJOIEDFGGV-MRXNPFEDSA-N 2 0 345.487 3.034 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)Sc2ccccc21 ZINC000872034292 1296683267 /nfs/dbraw/zinc/68/32/67/1296683267.db2.gz NLPZQTJRDFZIJF-DOTOQJQBSA-N 2 0 333.545 3.228 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2nc(-c3ccco3)no2)C1)C1CCCC1 ZINC000872156900 1296775335 /nfs/dbraw/zinc/77/53/35/1296775335.db2.gz MGWVDCMGGKVEDM-GOEBONIOSA-N 2 0 344.459 3.449 20 0 EGADRP C[N@H+](CCCCCC[NH3+])[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000872157452 1296776926 /nfs/dbraw/zinc/77/69/26/1296776926.db2.gz OQUAEGHBPNYNPY-INIZCTEOSA-N 2 0 341.858 3.035 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000321847184 1297182519 /nfs/dbraw/zinc/18/25/19/1297182519.db2.gz BIYKDTKSRAATLT-VQHPVUNQSA-N 2 0 337.508 3.039 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000322069023 1297185843 /nfs/dbraw/zinc/18/58/43/1297185843.db2.gz CYOFDQUDIOJJGI-XIRDDKMYSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc3ncccc23)c1 ZINC000873015001 1297224760 /nfs/dbraw/zinc/22/47/60/1297224760.db2.gz WKKRGHYCMMOFCB-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000325435805 1297225742 /nfs/dbraw/zinc/22/57/42/1297225742.db2.gz DGOSTVIKOOVBDD-RBUKOAKNSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340239749 1297310332 /nfs/dbraw/zinc/31/03/32/1297310332.db2.gz DGGNRCXJAQHHSH-QRVBRYPASA-N 2 0 333.524 3.254 20 0 EGADRP COc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204439 1297351218 /nfs/dbraw/zinc/35/12/18/1297351218.db2.gz BJQXFEKLKASVJO-CQSZACIVSA-N 2 0 328.481 3.392 20 0 EGADRP COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873207446 1297352000 /nfs/dbraw/zinc/35/20/00/1297352000.db2.gz BVCOXYNNELEGHU-QGZVFWFLSA-N 2 0 330.497 3.083 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000873240940 1297382313 /nfs/dbraw/zinc/38/23/13/1297382313.db2.gz BPOVZXOWXHRYKJ-RDJZCZTQSA-N 2 0 329.488 3.242 20 0 EGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCCC34CCCCC4)c2)nn1 ZINC000873243010 1297383907 /nfs/dbraw/zinc/38/39/07/1297383907.db2.gz ICORNPXXHWPEOP-IBGZPJMESA-N 2 0 339.487 3.319 20 0 EGADRP COC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(Br)c1 ZINC000873274027 1297405051 /nfs/dbraw/zinc/40/50/51/1297405051.db2.gz QTEASTUCGNLEQU-SWLSCSKDSA-N 2 0 329.282 3.244 20 0 EGADRP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000873282447 1297409209 /nfs/dbraw/zinc/40/92/09/1297409209.db2.gz IAVVNGGGECXBJC-HOSYDEDBSA-N 2 0 333.785 3.232 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000873293600 1297415335 /nfs/dbraw/zinc/41/53/35/1297415335.db2.gz NMEOMXPJRMNPOH-GBESFXJTSA-N 2 0 328.500 3.317 20 0 EGADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379615037 1297535821 /nfs/dbraw/zinc/53/58/21/1297535821.db2.gz AAYUNSNICUCMON-YWZLYKJASA-N 2 0 348.437 3.498 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCCCC[NH3+] ZINC000382728375 1297562915 /nfs/dbraw/zinc/56/29/15/1297562915.db2.gz XJOLNRIMPMCLIP-SFHVURJKSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000396467402 1297688405 /nfs/dbraw/zinc/68/84/05/1297688405.db2.gz UTIDYBNHUNXZQT-MLGOLLRUSA-N 2 0 330.394 3.059 20 0 EGADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCC[NH3+] ZINC000404513037 1297755199 /nfs/dbraw/zinc/75/51/99/1297755199.db2.gz QTBPAWGBZRVFCB-OKZBNKHCSA-N 2 0 331.504 3.015 20 0 EGADRP CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000686980380 1298118423 /nfs/dbraw/zinc/11/84/23/1298118423.db2.gz NEPPVKQNMGYFCO-GPANFISMSA-N 2 0 339.524 3.272 20 0 EGADRP COc1cncc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000700071433 1298175061 /nfs/dbraw/zinc/17/50/61/1298175061.db2.gz HGWXCGYFTXQQCD-LJQANCHMSA-N 2 0 339.483 3.482 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000877137080 1299177407 /nfs/dbraw/zinc/17/74/07/1299177407.db2.gz RHERVWQXGYYBLR-PWRODBHTSA-N 2 0 349.478 3.494 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CCCCC1 ZINC000877450367 1299309430 /nfs/dbraw/zinc/30/94/30/1299309430.db2.gz GESNBTBIEXGOAP-MJGOQNOKSA-N 2 0 349.563 3.432 20 0 EGADRP O=C1CC[C@H](C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)O1 ZINC000878815091 1300207596 /nfs/dbraw/zinc/20/75/96/1300207596.db2.gz CKTSIXNWWZDCBO-LJQANCHMSA-N 2 0 342.483 3.070 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3CCc4ccccc43)CC2)CC1 ZINC000755235154 1300304103 /nfs/dbraw/zinc/30/41/03/1300304103.db2.gz GWQPFFSGKUFGQX-HXUWFJFHSA-N 2 0 341.543 3.066 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000755235152 1300304133 /nfs/dbraw/zinc/30/41/33/1300304133.db2.gz GWQPFFSGKUFGQX-FQEVSTJZSA-N 2 0 341.543 3.066 20 0 EGADRP Cc1cc2ncn(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c2cc1C ZINC000755778407 1300394879 /nfs/dbraw/zinc/39/48/79/1300394879.db2.gz MDMUKYQIXTWVCV-GOSISDBHSA-N 2 0 326.488 3.274 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000880517556 1301146049 /nfs/dbraw/zinc/14/60/49/1301146049.db2.gz SFNURVZZNWBGCW-GOSISDBHSA-N 2 0 326.431 3.196 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000882951224 1302179970 /nfs/dbraw/zinc/17/99/70/1302179970.db2.gz UUZYXRRMLOPMGS-LJQANCHMSA-N 2 0 327.472 3.238 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000765750646 1302319118 /nfs/dbraw/zinc/31/91/18/1302319118.db2.gz CEVBREXAPUWFHJ-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000766381252 1302441768 /nfs/dbraw/zinc/44/17/68/1302441768.db2.gz JWVMYYLQOCDGBV-PXNSSMCTSA-N 2 0 343.515 3.217 20 0 EGADRP C[C@H]([NH2+]C1CC(C(F)F)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000768691868 1302960963 /nfs/dbraw/zinc/96/09/63/1302960963.db2.gz ZLPYAIWMKNHAHE-OPFPJEHXSA-N 2 0 341.421 3.272 20 0 EGADRP CCC(CC)[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000885919020 1303275855 /nfs/dbraw/zinc/27/58/55/1303275855.db2.gz HRJWEYWHSHNYQH-RBUKOAKNSA-N 2 0 338.536 3.205 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCOC4(CCCCC4)C3)CC2)CC1 ZINC000885955795 1303297211 /nfs/dbraw/zinc/29/72/11/1303297211.db2.gz BBZBLCSZYHUSQW-IBGZPJMESA-N 2 0 349.563 3.017 20 0 EGADRP CO[C@@H]1CC[C@H]([NH+](C)[C@@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@H](OC)C3)CC2)C1 ZINC000886389451 1303454166 /nfs/dbraw/zinc/45/41/66/1303454166.db2.gz JSMBLKDBBALJAC-RPZLJYRGSA-N 2 0 338.536 3.296 20 0 EGADRP Clc1ccc(CC[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1Cl ZINC000886707723 1303572734 /nfs/dbraw/zinc/57/27/34/1303572734.db2.gz POVUCHAGGUPCMW-HNNXBMFYSA-N 2 0 343.298 3.379 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)C1 ZINC000773139285 1303632255 /nfs/dbraw/zinc/63/22/55/1303632255.db2.gz MTJLEPFBCMPYGE-ZACQAIPSSA-N 2 0 326.575 3.363 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)CC1 ZINC000774300130 1303795364 /nfs/dbraw/zinc/79/53/64/1303795364.db2.gz AFVNXENJDIWDLM-IHWFROFDSA-N 2 0 342.531 3.254 20 0 EGADRP c1cc2c(cc1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)CCCO2 ZINC000892131251 1305260225 /nfs/dbraw/zinc/26/02/25/1305260225.db2.gz XVCDRBHZXNCAKC-UHFFFAOYSA-N 2 0 344.499 3.088 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NCC1CC[NH+](C)CC1 ZINC000892354932 1305332347 /nfs/dbraw/zinc/33/23/47/1305332347.db2.gz KVKIDQDJTSCICK-UHFFFAOYSA-N 2 0 333.545 3.298 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn(C)nc2C2CC2)c1 ZINC000892612131 1305470023 /nfs/dbraw/zinc/47/00/23/1305470023.db2.gz DLGYEGWNLKGJNP-UHFFFAOYSA-N 2 0 326.488 3.429 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@H](CC(C)(C)C)CC2=O)CC1 ZINC000787219190 1305710927 /nfs/dbraw/zinc/71/09/27/1305710927.db2.gz HNICHQISUAXWEV-SFHVURJKSA-N 2 0 337.552 3.281 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000893226432 1305772276 /nfs/dbraw/zinc/77/22/76/1305772276.db2.gz RDONGAISKSOTPG-HKUYNNGSSA-N 2 0 339.483 3.481 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000788477581 1305951363 /nfs/dbraw/zinc/95/13/63/1305951363.db2.gz XRVJWCZISTYZGV-UHFFFAOYSA-N 3 0 329.532 3.172 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788586644 1305976013 /nfs/dbraw/zinc/97/60/13/1305976013.db2.gz FDVWHOCNSLSHDY-SJLPKXTDSA-N 2 0 325.456 3.002 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000896870761 1310060051 /nfs/dbraw/zinc/06/00/51/1310060051.db2.gz MDUCEOWBYAFWEZ-QRQLOZEOSA-N 2 0 343.515 3.029 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc(Cl)n1 ZINC000797598923 1310218131 /nfs/dbraw/zinc/21/81/31/1310218131.db2.gz ZNOLCBGQXKNKSG-UHFFFAOYSA-N 2 0 333.863 3.274 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000798956866 1310462763 /nfs/dbraw/zinc/46/27/63/1310462763.db2.gz FITCZBDJWZRDSE-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP CSc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000897863950 1310497610 /nfs/dbraw/zinc/49/76/10/1310497610.db2.gz JESRGUQZJJSXKR-SJORKVTESA-N 2 0 349.544 3.000 20 0 EGADRP CCN(C(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000799179015 1310500691 /nfs/dbraw/zinc/50/06/91/1310500691.db2.gz YDOVHGDTVMXZOI-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000897969042 1310532849 /nfs/dbraw/zinc/53/28/49/1310532849.db2.gz CHQSXBJYGHCOCS-GOSISDBHSA-N 2 0 339.483 3.277 20 0 EGADRP O=C(OCCC[NH+]1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000800103994 1310672812 /nfs/dbraw/zinc/67/28/12/1310672812.db2.gz YPSFURKCUQJABJ-UHFFFAOYSA-N 2 0 330.472 3.315 20 0 EGADRP O=C(OCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000800173848 1310691626 /nfs/dbraw/zinc/69/16/26/1310691626.db2.gz KZTZGVHMVZDQST-GOSISDBHSA-N 2 0 348.462 3.067 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000800473610 1310764546 /nfs/dbraw/zinc/76/45/46/1310764546.db2.gz BMRMKXDWZIQXOR-VQTJNVASSA-N 2 0 328.500 3.447 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000824765288 1320283709 /nfs/dbraw/zinc/28/37/09/1320283709.db2.gz JGJSZZHOHYCUCU-HNNXBMFYSA-N 2 0 331.287 3.301 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001018961459 1316987384 /nfs/dbraw/zinc/98/73/84/1316987384.db2.gz FSCDTBZIWUMZDY-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC001018971581 1316991876 /nfs/dbraw/zinc/99/18/76/1316991876.db2.gz IJEPYLOPICLKAG-PBHICJAKSA-N 2 0 349.906 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCCC2)C1 ZINC000957113498 1317195254 /nfs/dbraw/zinc/19/52/54/1317195254.db2.gz NDYMWFJLNFIEBX-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1C[NH+](CCC2CCCCC2)C1 ZINC000957424326 1317348788 /nfs/dbraw/zinc/34/87/88/1317348788.db2.gz NZYPYPPYGBLVRG-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000957424284 1317349113 /nfs/dbraw/zinc/34/91/13/1317349113.db2.gz MUSCEGFAUCNILE-QLOJAFMTSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC(C)(C)C)CC2 ZINC000957517348 1317419961 /nfs/dbraw/zinc/41/99/61/1317419961.db2.gz ONCVSCNVATZTOR-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957561142 1317458652 /nfs/dbraw/zinc/45/86/52/1317458652.db2.gz GJTAVLCFLTVQAC-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC000957617379 1317499232 /nfs/dbraw/zinc/49/92/32/1317499232.db2.gz JDYVELCNTVAGBO-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CC2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC000957644905 1317516988 /nfs/dbraw/zinc/51/69/88/1317516988.db2.gz NQUDBVJGPGCFGF-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000957690936 1317558340 /nfs/dbraw/zinc/55/83/40/1317558340.db2.gz VLVRDJFNXMHMKI-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CN(C)c1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2ccccc2n1 ZINC000902333271 1317564609 /nfs/dbraw/zinc/56/46/09/1317564609.db2.gz JPDUVBTYNUMKSP-INIZCTEOSA-N 2 0 326.488 3.169 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000902373010 1317569336 /nfs/dbraw/zinc/56/93/36/1317569336.db2.gz VKFSPVPZLNFMHM-FGTMMUONSA-N 2 0 335.923 3.453 20 0 EGADRP CC1CC[NH+](CCC[C@H](NCC2([NH3+])CC2)c2ccc(F)cc2)CC1 ZINC000902406153 1317575011 /nfs/dbraw/zinc/57/50/11/1317575011.db2.gz MBPCOEYRDZTNCN-IBGZPJMESA-N 2 0 333.495 3.460 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCCCC[NH2+]2)C3)cc1 ZINC000902482762 1317582932 /nfs/dbraw/zinc/58/29/32/1317582932.db2.gz NKAYWTYCEUSEIE-XSDIEEQYSA-N 2 0 327.516 3.304 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000957728729 1317594781 /nfs/dbraw/zinc/59/47/81/1317594781.db2.gz WHWYYVFBCJXZOM-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001020238743 1317604468 /nfs/dbraw/zinc/60/44/68/1317604468.db2.gz ASWBZCYVQNPBDF-QWFCFKBJSA-N 2 0 345.531 3.131 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902839882 1317622919 /nfs/dbraw/zinc/62/29/19/1317622919.db2.gz VXMUSYQJTBHMKJ-JSGCOSHPSA-N 2 0 333.398 3.108 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001020288604 1317628187 /nfs/dbraw/zinc/62/81/87/1317628187.db2.gz FFRUWUKKWQSPOZ-MUGJNUQGSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001020297755 1317633510 /nfs/dbraw/zinc/63/35/10/1317633510.db2.gz YFTGCPXSFSHQQU-XDKFSHSGSA-N 2 0 349.906 3.122 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000957773061 1317636975 /nfs/dbraw/zinc/63/69/75/1317636975.db2.gz WYZUVXZIECDPTL-NRFANRHFSA-N 2 0 345.531 3.044 20 0 EGADRP CC[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000957776830 1317640454 /nfs/dbraw/zinc/64/04/54/1317640454.db2.gz WIPYILKKHOJOFP-UHFFFAOYSA-N 2 0 347.547 3.143 20 0 EGADRP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(F)c1 ZINC000903056669 1317644117 /nfs/dbraw/zinc/64/41/17/1317644117.db2.gz XMSIUZAYACXQJF-ZNBHLAFESA-N 2 0 331.479 3.176 20 0 EGADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCc2ccccc21 ZINC000903080957 1317648773 /nfs/dbraw/zinc/64/87/73/1317648773.db2.gz KMOJFUVFHKJWFL-SHFXZJCHSA-N 2 0 325.500 3.185 20 0 EGADRP Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)c1 ZINC001020336148 1317651805 /nfs/dbraw/zinc/65/18/05/1317651805.db2.gz UCFZAZCJQJCOID-IYARVYRRSA-N 2 0 348.450 3.002 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001020348712 1317654023 /nfs/dbraw/zinc/65/40/23/1317654023.db2.gz BAZPRUPJFZZBLX-NCXUSEDFSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C2 ZINC000903116058 1317656073 /nfs/dbraw/zinc/65/60/73/1317656073.db2.gz FKDRNVYJLYGZLY-IQRYMVJYSA-N 2 0 338.442 3.095 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020355219 1317657064 /nfs/dbraw/zinc/65/70/64/1317657064.db2.gz SALVQJVOCNLALK-SZMVWBNQSA-N 2 0 348.450 3.254 20 0 EGADRP C[C@H]1C[C@H](NCc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000903201953 1317673095 /nfs/dbraw/zinc/67/30/95/1317673095.db2.gz RZIPUCXLPVZJCC-PKOBYXMFSA-N 2 0 338.499 3.290 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001020396349 1317678328 /nfs/dbraw/zinc/67/83/28/1317678328.db2.gz PQPHLOMYNPYHPM-WGSAOQKQSA-N 2 0 348.450 3.002 20 0 EGADRP C[C@H](c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903509217 1317706177 /nfs/dbraw/zinc/70/61/77/1317706177.db2.gz DPUUZZUJAIQNEW-OIISXLGYSA-N 2 0 333.907 3.302 20 0 EGADRP Cc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1Br ZINC000903717313 1317724889 /nfs/dbraw/zinc/72/48/89/1317724889.db2.gz MZHHPEJAOULAQA-UHFFFAOYSA-N 2 0 341.293 3.087 20 0 EGADRP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903899150 1317744794 /nfs/dbraw/zinc/74/47/94/1317744794.db2.gz SVBSPIYFUICJBS-PXNSSMCTSA-N 2 0 339.487 3.157 20 0 EGADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899095 1317745552 /nfs/dbraw/zinc/74/55/52/1317745552.db2.gz RKWHVORILIZNBZ-FPOVZHCZSA-N 2 0 342.531 3.107 20 0 EGADRP CCOc1c(Br)cc(C[NH2+]CCC(C)(C)[NH3+])cc1OC ZINC000903941337 1317752929 /nfs/dbraw/zinc/75/29/29/1317752929.db2.gz ZZXDIAGEJODGAB-UHFFFAOYSA-N 2 0 345.281 3.073 20 0 EGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904342696 1317834215 /nfs/dbraw/zinc/83/42/15/1317834215.db2.gz NQSDKSBAAJJBMA-YLJYHZDGSA-N 2 0 326.488 3.199 20 0 EGADRP C[C@@H](O)c1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000809605526 1317842939 /nfs/dbraw/zinc/84/29/39/1317842939.db2.gz DHDKWJKALMECDG-RBSFLKMASA-N 2 0 325.522 3.044 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020675914 1317852256 /nfs/dbraw/zinc/85/22/56/1317852256.db2.gz KKWUIJAMYGBVSJ-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020675808 1317852651 /nfs/dbraw/zinc/85/26/51/1317852651.db2.gz GKTGHPHPDFVWIM-VBSBHUPXSA-N 2 0 343.515 3.247 20 0 EGADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000904477439 1317853213 /nfs/dbraw/zinc/85/32/13/1317853213.db2.gz WXOHWOUDUXVFPE-ZTRFORPCSA-N 2 0 330.472 3.037 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000904664802 1317878862 /nfs/dbraw/zinc/87/88/62/1317878862.db2.gz KJBXVJGLOJKHGX-IBGZPJMESA-N 2 0 338.455 3.104 20 0 EGADRP COC(=O)c1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809737039 1317884617 /nfs/dbraw/zinc/88/46/17/1317884617.db2.gz BYGHVYKBYUSHBA-UHFFFAOYSA-N 2 0 326.440 3.167 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001020719593 1317885997 /nfs/dbraw/zinc/88/59/97/1317885997.db2.gz MUAOQQUTKOJGDC-WTGUMLROSA-N 2 0 347.547 3.211 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc2)s1 ZINC000904859345 1317904387 /nfs/dbraw/zinc/90/43/87/1317904387.db2.gz QJQYVPQKCFVISZ-SFHVURJKSA-N 2 0 338.480 3.435 20 0 EGADRP CC(C)CCC(N)=[NH+]OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000809995202 1317933667 /nfs/dbraw/zinc/93/36/67/1317933667.db2.gz NRVUOJUWEDNFAA-GOSISDBHSA-N 2 0 333.476 3.212 20 0 EGADRP CC(C)CCC(N)=[NH+]OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000809995203 1317933837 /nfs/dbraw/zinc/93/38/37/1317933837.db2.gz NRVUOJUWEDNFAA-SFHVURJKSA-N 2 0 333.476 3.212 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001020865464 1317974542 /nfs/dbraw/zinc/97/45/42/1317974542.db2.gz GSLPMKVUNHHKSK-MXVIHJGJSA-N 2 0 347.547 3.234 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000810215282 1317977195 /nfs/dbraw/zinc/97/71/95/1317977195.db2.gz BODHUYOEUZALEX-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020908673 1317993426 /nfs/dbraw/zinc/99/34/26/1317993426.db2.gz HUIDKRDELOGEQM-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020909837 1317994554 /nfs/dbraw/zinc/99/45/54/1317994554.db2.gz RRMOOANFYWXVBQ-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020927926 1318001474 /nfs/dbraw/zinc/00/14/74/1318001474.db2.gz PVRPWQDQZGRMPD-MUGJNUQGSA-N 2 0 349.563 3.314 20 0 EGADRP OCc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000858327763 1328738082 /nfs/dbraw/zinc/73/80/82/1328738082.db2.gz ZLYUSEQMMQHNMV-UHFFFAOYSA-N 2 0 331.847 3.304 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907283759 1318207495 /nfs/dbraw/zinc/20/74/95/1318207495.db2.gz HVFWTLQITLEEKJ-IAGOWNOFSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)C1 ZINC001021437621 1318251087 /nfs/dbraw/zinc/25/10/87/1318251087.db2.gz FZSKVVQJUFQRFF-UMQXSMKFSA-N 2 0 347.547 3.020 20 0 EGADRP CC1(C)C(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[C@@H]1C1CC1 ZINC000811757432 1318255698 /nfs/dbraw/zinc/25/56/98/1318255698.db2.gz GMMVIIVIOFFFMR-LJQANCHMSA-N 2 0 347.547 3.179 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC000960022970 1318316940 /nfs/dbraw/zinc/31/69/40/1318316940.db2.gz QPSDVFRSHYOIAV-XLIONFOSSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000960129651 1318372250 /nfs/dbraw/zinc/37/22/50/1318372250.db2.gz DLKKVFVTSQQUIL-NEWSRXKRSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960154556 1318388947 /nfs/dbraw/zinc/38/89/47/1318388947.db2.gz HNPDJVJTIMCPCI-APWZRJJASA-N 2 0 346.519 3.139 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960221730 1318416842 /nfs/dbraw/zinc/41/68/42/1318416842.db2.gz YUVDSZUIYXOUDG-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960271880 1318437894 /nfs/dbraw/zinc/43/78/94/1318437894.db2.gz WRGWVBQLAPVXEC-FBBABVLZSA-N 2 0 343.515 3.031 20 0 EGADRP CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000910279323 1318593812 /nfs/dbraw/zinc/59/38/12/1318593812.db2.gz JWMNZXLOBJINBM-SFHVURJKSA-N 2 0 343.515 3.229 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001021906732 1318727351 /nfs/dbraw/zinc/72/73/51/1318727351.db2.gz XARNKPGMIKZGGV-KCUHQSDYSA-N 2 0 343.515 3.202 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(CO)c1 ZINC000858534207 1328790725 /nfs/dbraw/zinc/79/07/25/1328790725.db2.gz XLWGTHIEHCLWIV-LJQANCHMSA-N 2 0 325.456 3.287 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022202100 1318841498 /nfs/dbraw/zinc/84/14/98/1318841498.db2.gz PWLLMQOXLJCWQS-HSALFYBXSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022349467 1318902761 /nfs/dbraw/zinc/90/27/61/1318902761.db2.gz AILJBNSEFZGUSD-ZCNNSNEGSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCCC2)C1 ZINC000960859985 1319003831 /nfs/dbraw/zinc/00/38/31/1319003831.db2.gz CXRGMWUZHLIWNG-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815560560 1319016142 /nfs/dbraw/zinc/01/61/42/1319016142.db2.gz KHRQAWDTPQTHNQ-KVSKMBFKSA-N 2 0 343.471 3.311 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)c1ccc(Cl)cc1 ZINC001022711683 1319079690 /nfs/dbraw/zinc/07/96/90/1319079690.db2.gz COTSYQCZGCOOQI-NONVJHHQSA-N 2 0 349.906 3.122 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)Cn1ccnc1)CC1CCC(C)(C)CC1 ZINC000961034921 1319158692 /nfs/dbraw/zinc/15/86/92/1319158692.db2.gz ALRCASUABDFYBZ-SFHVURJKSA-N 2 0 346.519 3.022 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000816451948 1319160414 /nfs/dbraw/zinc/16/04/14/1319160414.db2.gz UFEKRERXWOOXFM-OXQOHEQNSA-N 2 0 349.434 3.402 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)o1 ZINC001023149881 1319295176 /nfs/dbraw/zinc/29/51/76/1319295176.db2.gz MWAPHGIIOFDMHG-CALCHBBNSA-N 2 0 347.503 3.162 20 0 EGADRP CCOc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1OC(=O)CC ZINC000817413796 1319353607 /nfs/dbraw/zinc/35/36/07/1319353607.db2.gz KFHDTEYXWCZDQG-UHFFFAOYSA-N 2 0 348.487 3.363 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001023274259 1319407363 /nfs/dbraw/zinc/40/73/63/1319407363.db2.gz WPEUNVAZZVLTOU-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000915097945 1319421654 /nfs/dbraw/zinc/42/16/54/1319421654.db2.gz LZLBITAFIXTJFQ-RBUKOAKNSA-N 2 0 347.547 3.260 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000817894275 1319452975 /nfs/dbraw/zinc/45/29/75/1319452975.db2.gz CTSVHXMWXBBXRX-BOLBYERCSA-N 2 0 330.472 3.036 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000817894836 1319453346 /nfs/dbraw/zinc/45/33/46/1319453346.db2.gz QQYNYQITRFHYTM-JLTOFOAXSA-N 2 0 343.471 3.020 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000817894222 1319453491 /nfs/dbraw/zinc/45/34/91/1319453491.db2.gz KESGEUAVOPHWBR-XRXFAXGQSA-N 2 0 346.515 3.408 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817896230 1319455605 /nfs/dbraw/zinc/45/56/05/1319455605.db2.gz ZZPRWMRWPYEJSE-IMFGXOCKSA-N 2 0 334.504 3.408 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961294085 1319456073 /nfs/dbraw/zinc/45/60/73/1319456073.db2.gz SWKQWIFTNLKVKD-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902557 1319456268 /nfs/dbraw/zinc/45/62/68/1319456268.db2.gz TYWIMIVLXXSFLT-ABAIWWIYSA-N 2 0 329.257 3.108 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902366 1319457199 /nfs/dbraw/zinc/45/71/99/1319457199.db2.gz OVUDORRWVFGNEJ-WFASDCNBSA-N 2 0 329.257 3.238 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@@H](O)c1c(F)cccc1F ZINC000817919547 1319460036 /nfs/dbraw/zinc/46/00/36/1319460036.db2.gz SRPBMLURZYSMSH-OYYNGEPBSA-N 2 0 349.425 3.290 20 0 EGADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000817923560 1319461284 /nfs/dbraw/zinc/46/12/84/1319461284.db2.gz ZCSFPKQUMDLGTC-IZHFEEFNSA-N 2 0 342.483 3.036 20 0 EGADRP O=C(CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OCc1ccccc1 ZINC000817922095 1319461574 /nfs/dbraw/zinc/46/15/74/1319461574.db2.gz PVFRMBZFGFDSGP-AQNXPRMDSA-N 2 0 344.499 3.410 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cc(F)cc(Cl)c1 ZINC000817926824 1319463582 /nfs/dbraw/zinc/46/35/82/1319463582.db2.gz AMTLWGUMIMKPLX-BSDSXHPESA-N 2 0 340.870 3.413 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817949203 1319473938 /nfs/dbraw/zinc/47/39/38/1319473938.db2.gz NWFMJKSOPSPFFD-LJQANCHMSA-N 2 0 326.440 3.200 20 0 EGADRP CC[C@H]([NH2+]CC([NH3+])(CC)CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817959394 1319477790 /nfs/dbraw/zinc/47/77/90/1319477790.db2.gz CTMKSMALFLZBFW-LSDHHAIUSA-N 2 0 327.513 3.272 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(N2CCCOC2=O)cc1 ZINC000817960937 1319478542 /nfs/dbraw/zinc/47/85/42/1319478542.db2.gz SGURDSTZOYNVSD-QILLFSRXSA-N 2 0 331.460 3.201 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cn1cccn1 ZINC000817980158 1319483550 /nfs/dbraw/zinc/48/35/50/1319483550.db2.gz JKHXMCMPLKVNQK-APWZRJJASA-N 2 0 342.487 3.123 20 0 EGADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000817981441 1319485204 /nfs/dbraw/zinc/48/52/04/1319485204.db2.gz JOPBVCIEEPVJDW-RDTXWAMCSA-N 2 0 326.444 3.308 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1C[NH+]1CCCCC1 ZINC000817983663 1319485400 /nfs/dbraw/zinc/48/54/00/1319485400.db2.gz HQLHNLDBKDYJJA-QGZVFWFLSA-N 3 0 345.531 3.474 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023402916 1319510475 /nfs/dbraw/zinc/51/04/75/1319510475.db2.gz WPERMNGGTWZRPN-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413926 1319517343 /nfs/dbraw/zinc/51/73/43/1319517343.db2.gz KYBCLUCJNGLNKZ-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC=C(C)C)C2)CC1)[NH+](C)C ZINC000961377419 1319535238 /nfs/dbraw/zinc/53/52/38/1319535238.db2.gz IMZGIEBPCRYSSV-VQTJNVASSA-N 2 0 349.563 3.243 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023449933 1319551233 /nfs/dbraw/zinc/55/12/33/1319551233.db2.gz BVBLZJWVOPKYOA-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP O=C(NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466861 1319564841 /nfs/dbraw/zinc/56/48/41/1319564841.db2.gz QBRAORIVGFFHPV-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccccc1F ZINC000818942660 1319583431 /nfs/dbraw/zinc/58/34/31/1319583431.db2.gz HJDOXCSGIBHZPM-HXUWFJFHSA-N 2 0 328.431 3.245 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434300 1319587041 /nfs/dbraw/zinc/58/70/41/1319587041.db2.gz DZWBLHMKPUPODN-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000818959466 1319591184 /nfs/dbraw/zinc/59/11/84/1319591184.db2.gz KVFRKQDQQXFNBT-KRWDZBQOSA-N 2 0 326.431 3.100 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000818986574 1319606726 /nfs/dbraw/zinc/60/67/26/1319606726.db2.gz PZPLAROZDHTUGF-IBGZPJMESA-N 2 0 348.487 3.422 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000819080043 1319630493 /nfs/dbraw/zinc/63/04/93/1319630493.db2.gz DDSCLGUGSMCJOQ-JKSUJKDBSA-N 2 0 330.875 3.469 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000819080040 1319630718 /nfs/dbraw/zinc/63/07/18/1319630718.db2.gz DDSCLGUGSMCJOQ-HOTGVXAUSA-N 2 0 330.875 3.469 20 0 EGADRP CN(C)c1ccc(NC(=O)CC[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000819081528 1319631231 /nfs/dbraw/zinc/63/12/31/1319631231.db2.gz MASJIXHXFPFDSQ-GOSISDBHSA-N 2 0 348.535 3.037 20 0 EGADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(F)c(F)c1 ZINC000819142725 1319647753 /nfs/dbraw/zinc/64/77/53/1319647753.db2.gz QAILNJPUYBNUNR-LADRWXRNSA-N 2 0 338.442 3.385 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000962217322 1319863769 /nfs/dbraw/zinc/86/37/69/1319863769.db2.gz RRCFVYPJXRVUMC-IOJLRTSASA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC000962249246 1319879151 /nfs/dbraw/zinc/87/91/51/1319879151.db2.gz AZUGFZOQFKZGMU-UHFFFAOYSA-N 2 0 349.563 3.029 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CC[C@H](OC)C2)CC1 ZINC000821401810 1320011350 /nfs/dbraw/zinc/01/13/50/1320011350.db2.gz HFEBIQGIHHKGHW-SZMVWBNQSA-N 2 0 349.494 3.186 20 0 EGADRP C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000822919824 1320136933 /nfs/dbraw/zinc/13/69/33/1320136933.db2.gz KWRCIKJNXUMGGP-YJBOKZPZSA-N 2 0 340.471 3.434 20 0 EGADRP CCN1CCC[C@@H]1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823579122 1320188177 /nfs/dbraw/zinc/18/81/77/1320188177.db2.gz MRBRCJJSRUCRBB-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccnc(Cl)c3F)nc2)C1 ZINC000824027682 1320223044 /nfs/dbraw/zinc/22/30/44/1320223044.db2.gz OCZZUHYPFNBGHD-CQSZACIVSA-N 2 0 349.841 3.022 20 0 EGADRP CN(C)c1ncc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC000930602321 1328911060 /nfs/dbraw/zinc/91/10/60/1328911060.db2.gz PVXNUAMVOLQNGZ-OAQYLSRUSA-N 2 0 338.499 3.219 20 0 EGADRP OCCCCCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000839003354 1320848282 /nfs/dbraw/zinc/84/82/82/1320848282.db2.gz YTRSCUSOSPPEBY-UHFFFAOYSA-N 2 0 327.472 3.300 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@H](C)CC[NH3+] ZINC000841050824 1321210165 /nfs/dbraw/zinc/21/01/65/1321210165.db2.gz LFJVSTAYMFSQPD-LLVKDONJSA-N 2 0 341.286 3.374 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc(C)c1OCc1ccccn1 ZINC000841081929 1321215623 /nfs/dbraw/zinc/21/56/23/1321215623.db2.gz ZGOMSXMOAFBQSD-KRWDZBQOSA-N 2 0 327.472 3.494 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000841083754 1321216005 /nfs/dbraw/zinc/21/60/05/1321216005.db2.gz CUFHEHHGQCPDLI-HZPDHXFCSA-N 2 0 332.879 3.110 20 0 EGADRP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841690458 1321297921 /nfs/dbraw/zinc/29/79/21/1321297921.db2.gz VUXFRRBUJUCUAJ-UWVAXJGDSA-N 2 0 349.519 3.007 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000859213363 1328946618 /nfs/dbraw/zinc/94/66/18/1328946618.db2.gz MYNGBFZZVGQCNP-FQEVSTJZSA-N 2 0 343.515 3.114 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2(N(C)C)CC2)ccc1OC ZINC000841761540 1321308359 /nfs/dbraw/zinc/30/83/59/1321308359.db2.gz GIRHMEDCIUBYHN-MRXNPFEDSA-N 2 0 333.520 3.282 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000843124417 1321473484 /nfs/dbraw/zinc/47/34/84/1321473484.db2.gz APMXEAQMIXINEW-CVEARBPZSA-N 2 0 342.455 3.330 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000843126443 1321474220 /nfs/dbraw/zinc/47/42/20/1321474220.db2.gz RVFNTWVTFFJSCK-HNNXBMFYSA-N 2 0 342.314 3.299 20 0 EGADRP C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CCC([NH3+])CC1 ZINC000843355452 1321505200 /nfs/dbraw/zinc/50/52/00/1321505200.db2.gz PQWABFRCCFJJNT-UHFFFAOYSA-N 2 0 334.851 3.134 20 0 EGADRP COc1ccc2c(C[N@H+](CCC[NH3+])CC3CCCC3)cc(=O)oc2c1 ZINC000843385076 1321509229 /nfs/dbraw/zinc/50/92/29/1321509229.db2.gz VKROGDFXHFBSLC-UHFFFAOYSA-N 2 0 344.455 3.143 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843386793 1321509579 /nfs/dbraw/zinc/50/95/79/1321509579.db2.gz MJHNZPFYNIYHQK-IAGOWNOFSA-N 2 0 340.467 3.313 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](CO)CCF)cc1C[NH+]1CCCCC1 ZINC000846210028 1321776129 /nfs/dbraw/zinc/77/61/29/1321776129.db2.gz WGWWQQHFMKJQMU-CRAIPNDOSA-N 2 0 338.467 3.052 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(CC[NH2+]C4CC4)n3)cc2)CC1 ZINC000848624602 1321982569 /nfs/dbraw/zinc/98/25/69/1321982569.db2.gz NSLXTWMBJXZHMD-UHFFFAOYSA-N 2 0 340.471 3.263 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000848882193 1322029027 /nfs/dbraw/zinc/02/90/27/1322029027.db2.gz MOWNCVFACGIVCO-BQYQJAHWSA-N 2 0 334.460 3.018 20 0 EGADRP Cc1cccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000849058125 1322062079 /nfs/dbraw/zinc/06/20/79/1322062079.db2.gz MOIJNEYGHADRQG-UHFFFAOYSA-N 2 0 336.483 3.274 20 0 EGADRP C[C@H]1Cc2cc(C[NH2+]Cc3ccccc3OCC[NH+](C)C)ccc2O1 ZINC000921622039 1322364912 /nfs/dbraw/zinc/36/49/12/1322364912.db2.gz BHTHATNQULGWOT-INIZCTEOSA-N 2 0 340.467 3.240 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921624609 1322365521 /nfs/dbraw/zinc/36/55/21/1322365521.db2.gz KTAYMYAAMIQOMZ-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn(CC3CCC3)c2)c1 ZINC000921686698 1322378447 /nfs/dbraw/zinc/37/84/47/1322378447.db2.gz OHHMYUDOBLVADE-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[C@H]1Cc2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)ccc2O1 ZINC000921960652 1322430306 /nfs/dbraw/zinc/43/03/06/1322430306.db2.gz IRFNGDFKXMFGOP-INIZCTEOSA-N 2 0 337.467 3.411 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000922242462 1322486028 /nfs/dbraw/zinc/48/60/28/1322486028.db2.gz DYNYDIIPRGQESF-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP O=C(c1ccc(O)cc1)C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923301315 1322729067 /nfs/dbraw/zinc/72/90/67/1322729067.db2.gz HLERLLGKHAZSES-QNBRMCRTSA-N 2 0 342.483 3.208 20 0 EGADRP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923311748 1322731114 /nfs/dbraw/zinc/73/11/14/1322731114.db2.gz VRJFNKLFBXEABY-UYTSQGDYSA-N 2 0 336.911 3.440 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000923482793 1322759568 /nfs/dbraw/zinc/75/95/68/1322759568.db2.gz UOYIZPMBYVXLMS-VQIMIIECSA-N 2 0 348.450 3.497 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504349 1322764417 /nfs/dbraw/zinc/76/44/17/1322764417.db2.gz QSDZVJXQSVWDPB-IIDMSEBBSA-N 2 0 325.456 3.084 20 0 EGADRP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923531390 1322770560 /nfs/dbraw/zinc/77/05/60/1322770560.db2.gz PKGOSINYQCRUSK-HOCLYGCPSA-N 2 0 340.920 3.177 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024024399 1323082296 /nfs/dbraw/zinc/08/22/96/1323082296.db2.gz ZVOYNLRTLVYKNM-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001024051853 1323098270 /nfs/dbraw/zinc/09/82/70/1323098270.db2.gz IZCHTIHWFTYFFD-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP COCC[NH+]1CCC(N[C@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924788148 1323163203 /nfs/dbraw/zinc/16/32/03/1323163203.db2.gz LPPGQIDKLVVIME-OAQYLSRUSA-N 2 0 339.483 3.180 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001024161858 1323180152 /nfs/dbraw/zinc/18/01/52/1323180152.db2.gz OMNMMBFYPXFGCE-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000924854088 1323188513 /nfs/dbraw/zinc/18/85/13/1323188513.db2.gz RRZVZKYGODEKQN-AEFFLSMTSA-N 2 0 325.456 3.350 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000963158236 1323220235 /nfs/dbraw/zinc/22/02/35/1323220235.db2.gz VKBYXZRUWXVYDX-SOAGJPPSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1(Cl)CC1 ZINC000924961551 1323229325 /nfs/dbraw/zinc/22/93/25/1323229325.db2.gz AEQHCEJRUPVWTK-UONOGXRCSA-N 2 0 339.886 3.388 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925058301 1323259969 /nfs/dbraw/zinc/25/99/69/1323259969.db2.gz XSNCGOUNVWMNJP-DYESRHJHSA-N 2 0 345.531 3.042 20 0 EGADRP CCOCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853093748 1323278183 /nfs/dbraw/zinc/27/81/83/1323278183.db2.gz QPLFSZBSLKJMQO-LJQANCHMSA-N 2 0 332.488 3.271 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853100192 1323281550 /nfs/dbraw/zinc/28/15/50/1323281550.db2.gz ZJKKELLLFRLUKF-UWJYYQICSA-N 2 0 339.483 3.279 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000931295114 1329088037 /nfs/dbraw/zinc/08/80/37/1329088037.db2.gz ZNVVAIFBFRFOLD-UHFFFAOYSA-N 2 0 349.544 3.261 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCC2)CC[N@@H+]1C ZINC001024448813 1323407106 /nfs/dbraw/zinc/40/71/06/1323407106.db2.gz ZDEYUXBETOVKEZ-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024478936 1323432030 /nfs/dbraw/zinc/43/20/30/1323432030.db2.gz VXDHUPJCTUUQNX-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501627 1323448974 /nfs/dbraw/zinc/44/89/74/1323448974.db2.gz GGPNGQWQGOYCHR-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571342 1323508854 /nfs/dbraw/zinc/50/88/54/1323508854.db2.gz YGYVBEHUZKIKQX-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCC2)CC[N@@H+]1C ZINC001024620028 1323546993 /nfs/dbraw/zinc/54/69/93/1323546993.db2.gz LFMQUMOIQZJFLR-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024692578 1323609620 /nfs/dbraw/zinc/60/96/20/1323609620.db2.gz PBRHEAKGKNNWIV-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCC2)cc1 ZINC001024712318 1323618768 /nfs/dbraw/zinc/61/87/68/1323618768.db2.gz UNAYMFPYXRMLFE-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024813337 1323716382 /nfs/dbraw/zinc/71/63/82/1323716382.db2.gz ZLZLTKPOMVLAGJ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024814148 1323718271 /nfs/dbraw/zinc/71/82/71/1323718271.db2.gz ORKLSYDZKXEAJK-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1)C1CCC1 ZINC001024983793 1323813391 /nfs/dbraw/zinc/81/33/91/1323813391.db2.gz ZKKHWNDRRFUYHB-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024989304 1323814425 /nfs/dbraw/zinc/81/44/25/1323814425.db2.gz GCGAIVKWBNVJIQ-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001024992162 1323815218 /nfs/dbraw/zinc/81/52/18/1323815218.db2.gz NFDVLGKBBXQVNU-UXHICEINSA-N 2 0 345.531 3.052 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024989645 1323816066 /nfs/dbraw/zinc/81/60/66/1323816066.db2.gz VGUZLPWCXZAPGB-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001025073430 1323874705 /nfs/dbraw/zinc/87/47/05/1323874705.db2.gz GZCHSUFBVXUTEH-VQTJNVASSA-N 2 0 345.531 3.052 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025168299 1323937620 /nfs/dbraw/zinc/93/76/20/1323937620.db2.gz XKFBDLQXODIRLZ-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001025246409 1324046565 /nfs/dbraw/zinc/04/65/65/1324046565.db2.gz WUVQMSDVPGZJCW-RTBURBONSA-N 2 0 340.471 3.122 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247421 1324047770 /nfs/dbraw/zinc/04/77/70/1324047770.db2.gz KUMQADQOASHNEK-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261581 1324072591 /nfs/dbraw/zinc/07/25/91/1324072591.db2.gz XAHVXDABASQJSI-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450894 1324293534 /nfs/dbraw/zinc/29/35/34/1324293534.db2.gz CDYDTBQFXJKRTF-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474033 1324318950 /nfs/dbraw/zinc/31/89/50/1324318950.db2.gz IHWKIUUAEWXNPU-WMZOPIPTSA-N 2 0 340.471 3.131 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586078 1324427078 /nfs/dbraw/zinc/42/70/78/1324427078.db2.gz VUGRMILCSFXKNZ-AZUAARDMSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001026493770 1324846404 /nfs/dbraw/zinc/84/64/04/1324846404.db2.gz NONMRQBCTDGXKT-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026515974 1324862165 /nfs/dbraw/zinc/86/21/65/1324862165.db2.gz PRLGVTGJJPBOCQ-ACBHZAAOSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026561406 1324896406 /nfs/dbraw/zinc/89/64/06/1324896406.db2.gz ZOBSCQGKUDYGLI-KKXNLOMOSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026560843 1324896483 /nfs/dbraw/zinc/89/64/83/1324896483.db2.gz GRNSNJVIMWKCIP-KKXNLOMOSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026610850 1324932252 /nfs/dbraw/zinc/93/22/52/1324932252.db2.gz VQMDLMARGAMQML-SOAGJPPSSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001026847485 1325043979 /nfs/dbraw/zinc/04/39/79/1325043979.db2.gz YHUAJWAYRHQDAA-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026887865 1325062883 /nfs/dbraw/zinc/06/28/83/1325062883.db2.gz WTQVPJYDOFJYDN-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242013 1325069994 /nfs/dbraw/zinc/06/99/94/1325069994.db2.gz ZADQMXDKOZPNMT-NCOADZHNSA-N 2 0 326.575 3.078 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000925216842 1325083730 /nfs/dbraw/zinc/08/37/30/1325083730.db2.gz LBEHUVTYVZWWGN-WOJBJXKFSA-N 2 0 331.504 3.045 20 0 EGADRP O=C(N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001026939586 1325091561 /nfs/dbraw/zinc/09/15/61/1325091561.db2.gz LIKWSGITHPQNOR-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925241751 1325092784 /nfs/dbraw/zinc/09/27/84/1325092784.db2.gz SGJDYXVNWHGQCE-FPOVZHCZSA-N 2 0 341.499 3.426 20 0 EGADRP CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCCC1 ZINC000925273193 1325110220 /nfs/dbraw/zinc/11/02/20/1325110220.db2.gz UBWBXEIIYVKEBE-YQQQUEKLSA-N 2 0 338.536 3.205 20 0 EGADRP COc1cccc(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)c1OC ZINC000925476334 1325167147 /nfs/dbraw/zinc/16/71/47/1325167147.db2.gz ANXLHFGJGLKVSR-GOSISDBHSA-N 2 0 328.456 3.316 20 0 EGADRP c1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)OCCCO2 ZINC000925480274 1325168438 /nfs/dbraw/zinc/16/84/38/1325168438.db2.gz JHMLDDAKYGATFS-ROUUACIJSA-N 2 0 330.472 3.106 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1F ZINC000925485389 1325171698 /nfs/dbraw/zinc/17/16/98/1325171698.db2.gz MONCMJIFPWTINF-KDOFPFPSSA-N 2 0 335.442 3.055 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1 ZINC000925495308 1325176744 /nfs/dbraw/zinc/17/67/44/1325176744.db2.gz QCJHVNSPOGVUHX-GOSISDBHSA-N 2 0 329.513 3.176 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925500524 1325179308 /nfs/dbraw/zinc/17/93/08/1325179308.db2.gz DEJQVEQRLOFACT-YLJYHZDGSA-N 2 0 327.516 3.476 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963386342 1325186460 /nfs/dbraw/zinc/18/64/60/1325186460.db2.gz VGUJMNPESNWORJ-CTWPCTMYSA-N 2 0 335.536 3.020 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925532490 1325194767 /nfs/dbraw/zinc/19/47/67/1325194767.db2.gz GVEYCDOJQHBEHQ-SFTDATJTSA-N 2 0 338.499 3.189 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001027062929 1325199473 /nfs/dbraw/zinc/19/94/73/1325199473.db2.gz FGWQUWAEHNGLQB-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000925575158 1325217010 /nfs/dbraw/zinc/21/70/10/1325217010.db2.gz VDNLTZRAGBOODM-KRWDZBQOSA-N 2 0 331.847 3.348 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027104209 1325229177 /nfs/dbraw/zinc/22/91/77/1325229177.db2.gz NCUJAHFUQNZROU-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C1(C)C)c1cccc(C(F)(F)F)c1 ZINC000925644141 1325244591 /nfs/dbraw/zinc/24/45/91/1325244591.db2.gz YLITWPGBVJKEHU-CABCVRRESA-N 2 0 329.410 3.038 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925664786 1325254508 /nfs/dbraw/zinc/25/45/08/1325254508.db2.gz ATPYFDYFDWGTRX-ROUUACIJSA-N 3 0 345.531 3.155 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925664784 1325255024 /nfs/dbraw/zinc/25/50/24/1325255024.db2.gz ATPYFDYFDWGTRX-MSOLQXFVSA-N 3 0 345.531 3.155 20 0 EGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925673039 1325257625 /nfs/dbraw/zinc/25/76/25/1325257625.db2.gz LTOKCRZXQCJFDC-SCTDSRPQSA-N 2 0 331.479 3.162 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000925732279 1325274529 /nfs/dbraw/zinc/27/45/29/1325274529.db2.gz XOMPZBBUYBQKCT-MJGOQNOKSA-N 2 0 332.875 3.486 20 0 EGADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(I)cc1 ZINC000925740155 1325277755 /nfs/dbraw/zinc/27/77/55/1325277755.db2.gz DNOZNBLERRDRFB-JTQLQIEISA-N 2 0 332.229 3.069 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854676090 1325293245 /nfs/dbraw/zinc/29/32/45/1325293245.db2.gz AVXIBSCNOVKZCD-MRXNPFEDSA-N 2 0 337.552 3.266 20 0 EGADRP c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806874 1325308720 /nfs/dbraw/zinc/30/87/20/1325308720.db2.gz CBCZXIQLWFAAIB-JOCHJYFZSA-N 2 0 335.495 3.259 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1 ZINC000925830228 1325319509 /nfs/dbraw/zinc/31/95/09/1325319509.db2.gz COYKOCDVXHMMIP-HOTGVXAUSA-N 2 0 329.410 3.083 20 0 EGADRP Cc1c(C(=O)N(C)C2CCC([NH2+]C(C)C)CC2)ccc2c[nH+]cn21 ZINC000963600119 1325338314 /nfs/dbraw/zinc/33/83/14/1325338314.db2.gz YGHWIOFCSRYJPQ-UHFFFAOYSA-N 2 0 328.460 3.024 20 0 EGADRP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)n1 ZINC000925874457 1325338438 /nfs/dbraw/zinc/33/84/38/1325338438.db2.gz ZNAABCOYKYXEMF-LTIDMASMSA-N 2 0 332.492 3.026 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000963728562 1325390030 /nfs/dbraw/zinc/39/00/30/1325390030.db2.gz QCUJWUAVJWAEFY-UHFFFAOYSA-N 2 0 345.531 3.174 20 0 EGADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000964377132 1325496820 /nfs/dbraw/zinc/49/68/20/1325496820.db2.gz ARVVQSWBPAIUDM-HDYDNRTBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857090309 1325571791 /nfs/dbraw/zinc/57/17/91/1325571791.db2.gz PTYWMINMIAVGKJ-VQTJNVASSA-N 2 0 343.515 3.098 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)CC1 ZINC000926530989 1325588601 /nfs/dbraw/zinc/58/86/01/1325588601.db2.gz DOOGKBLIKVQTMF-WOJBJXKFSA-N 2 0 331.504 3.402 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027409591 1327637741 /nfs/dbraw/zinc/63/77/41/1327637741.db2.gz LJMWLUBVXFFDBG-ROUUACIJSA-N 2 0 349.544 3.044 20 0 EGADRP CC1(C)CC2(CC([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)C2)CO1 ZINC000926693780 1327669951 /nfs/dbraw/zinc/66/99/51/1327669951.db2.gz QCJONDHZTMPNGN-UHFFFAOYSA-N 2 0 343.515 3.231 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440563 1327678071 /nfs/dbraw/zinc/67/80/71/1327678071.db2.gz IOMVGJNQKUBRSZ-PKOBYXMFSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442436 1327682908 /nfs/dbraw/zinc/68/29/08/1327682908.db2.gz UMBQDPIZHRNJLQ-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC001027445084 1327684775 /nfs/dbraw/zinc/68/47/75/1327684775.db2.gz ZMUGKUAVKBIPMQ-VQTJNVASSA-N 2 0 347.547 3.140 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449629 1327689658 /nfs/dbraw/zinc/68/96/58/1327689658.db2.gz DZBSSWUGRGCYKG-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449413 1327690283 /nfs/dbraw/zinc/69/02/83/1327690283.db2.gz ZYVQMNVZACDCLF-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562878 1327882598 /nfs/dbraw/zinc/88/25/98/1327882598.db2.gz XVVMBMJCOJUHDO-VQTJNVASSA-N 2 0 345.531 3.004 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001027575939 1327912357 /nfs/dbraw/zinc/91/23/57/1327912357.db2.gz GSLZBSLTQHIGGH-QUCCMNQESA-N 2 0 347.547 3.284 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577087 1327914022 /nfs/dbraw/zinc/91/40/22/1327914022.db2.gz DDPBZKCBSBLITB-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(C)C)C2)o1 ZINC001027700221 1328115771 /nfs/dbraw/zinc/11/57/71/1328115771.db2.gz SCNWVILXQFHLFF-QGZVFWFLSA-N 2 0 349.519 3.314 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027795577 1328232414 /nfs/dbraw/zinc/23/24/14/1328232414.db2.gz XPTAWFKDTMVMNU-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027919642 1328397795 /nfs/dbraw/zinc/39/77/95/1328397795.db2.gz ZDQFDQOPQSDULD-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP CN(C)c1ccc(F)cc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000865417351 1329694497 /nfs/dbraw/zinc/69/44/97/1329694497.db2.gz HZGSVUOGNJWASH-UHFFFAOYSA-N 2 0 345.462 3.122 20 0 EGADRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(-c2cc(F)ccc2F)n1 ZINC000865523328 1329708646 /nfs/dbraw/zinc/70/86/46/1329708646.db2.gz IWFUFEQMAPYOPX-UHFFFAOYSA-N 2 0 348.441 3.187 20 0 EGADRP OCc1ccc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000865718233 1329732141 /nfs/dbraw/zinc/73/21/41/1329732141.db2.gz WAYJSHWWDXPXST-UHFFFAOYSA-N 2 0 328.456 3.164 20 0 EGADRP Cc1cc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000865718089 1329732147 /nfs/dbraw/zinc/73/21/47/1329732147.db2.gz UQQGZIKFXDWXKO-UHFFFAOYSA-N 2 0 326.488 3.120 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCOC23CCOCC3)cc(C[NH+]2CCCCC2)c1 ZINC000934400897 1329975470 /nfs/dbraw/zinc/97/54/70/1329975470.db2.gz FGGGNFVUJOHVIR-HXUWFJFHSA-N 2 0 344.499 3.100 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000935050924 1330025580 /nfs/dbraw/zinc/02/55/80/1330025580.db2.gz KXFLWYIJGNIYGH-CTWPCTMYSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[NH+]1CCCCC1 ZINC000935361552 1330047440 /nfs/dbraw/zinc/04/74/40/1330047440.db2.gz YBQHEWLMVXLKDC-KRWDZBQOSA-N 2 0 347.503 3.260 20 0 EGADRP Cc1cccc(C[C@@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000866250595 1330085317 /nfs/dbraw/zinc/08/53/17/1330085317.db2.gz FWGMGTVCDWJJQC-GOSISDBHSA-N 2 0 329.532 3.074 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3c(F)cccc32)ccn1 ZINC000866312603 1330094885 /nfs/dbraw/zinc/09/48/85/1330094885.db2.gz OWNWLNFHZJKGKH-IBGZPJMESA-N 2 0 343.446 3.328 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000866467810 1330116097 /nfs/dbraw/zinc/11/60/97/1330116097.db2.gz QWJHFTHTVJUKCQ-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000866699369 1330141970 /nfs/dbraw/zinc/14/19/70/1330141970.db2.gz MDSXTJGWTLNKAB-UHFFFAOYSA-N 2 0 343.393 3.108 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942303037 1331898628 /nfs/dbraw/zinc/89/86/28/1331898628.db2.gz JYOKLIZEGVZFIK-KXBFYZLASA-N 2 0 342.487 3.211 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597018 1331995724 /nfs/dbraw/zinc/99/57/24/1331995724.db2.gz HXSAMRBSQNAGGT-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779293 1332897742 /nfs/dbraw/zinc/89/77/42/1332897742.db2.gz MUAGKUOPZBRXDB-YSIASYRMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC)C[C@H]2CC1 ZINC000946856122 1332917392 /nfs/dbraw/zinc/91/73/92/1332917392.db2.gz BDSVWAGVTOALJY-ZCNNSNEGSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCC(C)(C)C ZINC000947438091 1333127513 /nfs/dbraw/zinc/12/75/13/1333127513.db2.gz UKXGPGFLLNFMCY-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CC1CCCC1 ZINC000947437808 1333127708 /nfs/dbraw/zinc/12/77/08/1333127708.db2.gz SWZYYCYPVYTQAX-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947473611 1333141951 /nfs/dbraw/zinc/14/19/51/1333141951.db2.gz NWIBKZXTAKEVFV-HOCLYGCPSA-N 2 0 328.460 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615139 1333193260 /nfs/dbraw/zinc/19/32/60/1333193260.db2.gz FLLDDIRFUZGCPN-AEFFLSMTSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC000947615997 1333193744 /nfs/dbraw/zinc/19/37/44/1333193744.db2.gz NRRCIFJVCCDPKI-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000947615365 1333194059 /nfs/dbraw/zinc/19/40/59/1333194059.db2.gz ICWRHJSATVJRGL-MJGOQNOKSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CC1CCCC1 ZINC000947653593 1333209916 /nfs/dbraw/zinc/20/99/16/1333209916.db2.gz PSCKDXQWFCDCAF-QAPCUYQASA-N 2 0 347.503 3.114 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000948040858 1333349796 /nfs/dbraw/zinc/34/97/96/1333349796.db2.gz UXQRCRUJDNTIHK-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCCCCC1 ZINC000948040832 1333350091 /nfs/dbraw/zinc/35/00/91/1333350091.db2.gz UKLGVSCYBMQLTG-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948055448 1333357130 /nfs/dbraw/zinc/35/71/30/1333357130.db2.gz CEJZLTAGJCYIQJ-XLIONFOSSA-N 2 0 345.531 3.377 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057506 1333358763 /nfs/dbraw/zinc/35/87/63/1333358763.db2.gz WRDAGSIGBNAIIZ-QFBILLFUSA-N 2 0 331.504 3.131 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948245402 1333439611 /nfs/dbraw/zinc/43/96/11/1333439611.db2.gz QAWUHEVRSBKFLL-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948373977 1333500151 /nfs/dbraw/zinc/50/01/51/1333500151.db2.gz PYHFIBKBLPKNDO-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948376887 1333502550 /nfs/dbraw/zinc/50/25/50/1333502550.db2.gz CWSQBUIOBKOUOL-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC000948389823 1333505562 /nfs/dbraw/zinc/50/55/62/1333505562.db2.gz YMBBMQCUSSFPJH-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593429 1333588404 /nfs/dbraw/zinc/58/84/04/1333588404.db2.gz DUMNXSJKBSGHOI-NVXWUHKLSA-N 2 0 346.450 3.009 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000948767706 1333670510 /nfs/dbraw/zinc/67/05/10/1333670510.db2.gz ZOVJJMXNDGLJCW-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000949628064 1333885607 /nfs/dbraw/zinc/88/56/07/1333885607.db2.gz REUUPPVOAMICCD-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000949801114 1333926850 /nfs/dbraw/zinc/92/68/50/1333926850.db2.gz NGZQUGSAZSJASF-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000949856192 1333945183 /nfs/dbraw/zinc/94/51/83/1333945183.db2.gz JIWZKELXMWACAL-YSIASYRMSA-N 2 0 343.515 3.012 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC000952406470 1334450663 /nfs/dbraw/zinc/45/06/63/1334450663.db2.gz AZCAHFVPFNQBEC-SFHVURJKSA-N 2 0 337.552 3.218 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[N@H+](CCC(C)C)CC[C@H]2C)ccc2c[nH+]cn21 ZINC000967086926 1335658933 /nfs/dbraw/zinc/65/89/33/1335658933.db2.gz MOYZQFNYUOKPFC-BEFAXECRSA-N 2 0 342.487 3.129 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708519 1335805341 /nfs/dbraw/zinc/80/53/41/1335805341.db2.gz SRDIHFRHICXRPS-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378683 1335910060 /nfs/dbraw/zinc/91/00/60/1335910060.db2.gz ROYCOYDMAOEDOX-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[N@H+](CC3CCCCC3)CC[C@H]2C)CC1 ZINC000968459555 1335931430 /nfs/dbraw/zinc/93/14/30/1335931430.db2.gz MQTKQPKMOMVDKQ-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683007 1336009582 /nfs/dbraw/zinc/00/95/82/1336009582.db2.gz XGZDBBWMYIQOGA-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000968921921 1336090107 /nfs/dbraw/zinc/09/01/07/1336090107.db2.gz MYMKRELIYPXXRE-QZTJIDSGSA-N 2 0 343.515 3.039 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936454 1336095460 /nfs/dbraw/zinc/09/54/60/1336095460.db2.gz IGKQMYLEWTXZEV-WMZOPIPTSA-N 2 0 342.487 3.355 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CCC1CC1)c1ccn2c[nH+]cc2c1 ZINC000968936124 1336095976 /nfs/dbraw/zinc/09/59/76/1336095976.db2.gz BITDJWQIPZGCOH-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CC1CCCC1)[C@@]12CC[NH+](C1)CCC2 ZINC000969129559 1336153863 /nfs/dbraw/zinc/15/38/63/1336153863.db2.gz BJJBLMZKLYOFAO-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000970026879 1336272820 /nfs/dbraw/zinc/27/28/20/1336272820.db2.gz JHAOPLXCAZJPBT-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC000970792832 1336338043 /nfs/dbraw/zinc/33/80/43/1336338043.db2.gz YQKFVZBKXMOTEZ-UYAOXDASSA-N 2 0 343.515 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005478774 1336358305 /nfs/dbraw/zinc/35/83/05/1336358305.db2.gz YWRTYCZVHLPLJP-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005503249 1336363311 /nfs/dbraw/zinc/36/33/11/1336363311.db2.gz JKDWVNMGWDMEGC-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CCC(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001005590667 1336377083 /nfs/dbraw/zinc/37/70/83/1336377083.db2.gz BJZSJBIATISNEM-AFMYVXGZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001005869560 1336413442 /nfs/dbraw/zinc/41/34/42/1336413442.db2.gz ADVSUSNHJATVFV-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005893856 1336417546 /nfs/dbraw/zinc/41/75/46/1336417546.db2.gz RNZQUDHTFJFJCN-UHFFFAOYSA-N 2 0 347.503 3.068 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001005992025 1336435586 /nfs/dbraw/zinc/43/55/86/1336435586.db2.gz RKCHWJUCQKZESY-GOSISDBHSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006001423 1336435998 /nfs/dbraw/zinc/43/59/98/1336435998.db2.gz NPMAHUYCVJZIQJ-PXNSSMCTSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006132501 1336456663 /nfs/dbraw/zinc/45/66/63/1336456663.db2.gz NXEZRTQQHSFFGS-MRXNPFEDSA-N 2 0 349.494 3.033 20 0 EGADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001006397969 1336499203 /nfs/dbraw/zinc/49/92/03/1336499203.db2.gz BZLDXYWAJGICIP-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006444031 1336507318 /nfs/dbraw/zinc/50/73/18/1336507318.db2.gz PSDRTCGSJCTSRM-MRXNPFEDSA-N 2 0 349.494 3.033 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007458163 1336650971 /nfs/dbraw/zinc/65/09/71/1336650971.db2.gz VLPXXXXTEAUBTB-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001007500818 1336658936 /nfs/dbraw/zinc/65/89/36/1336658936.db2.gz VUDAEOGCIAHUHG-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007646793 1336683099 /nfs/dbraw/zinc/68/30/99/1336683099.db2.gz QGWVOETYRNLKCB-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007751550 1336695203 /nfs/dbraw/zinc/69/52/03/1336695203.db2.gz ZYWKZSXVTLEXIL-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007788565 1336700545 /nfs/dbraw/zinc/70/05/45/1336700545.db2.gz QEHLRFJQSCRMHI-IBGZPJMESA-N 2 0 345.531 3.086 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278789 1336813279 /nfs/dbraw/zinc/81/32/79/1336813279.db2.gz YPYCITWDUBAVTD-UYAOXDASSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001008282691 1336814707 /nfs/dbraw/zinc/81/47/07/1336814707.db2.gz YRVJFBPSQAUNKC-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001008529276 1336876579 /nfs/dbraw/zinc/87/65/79/1336876579.db2.gz FLVSTPNJFSDBMP-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749288 1336919901 /nfs/dbraw/zinc/91/99/01/1336919901.db2.gz RYDYIEMGGGYLAN-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001009054371 1336960781 /nfs/dbraw/zinc/96/07/81/1336960781.db2.gz ZFAPVVLFICZRGY-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014391241 1337763701 /nfs/dbraw/zinc/76/37/01/1337763701.db2.gz BPIHOMQBPRAYHC-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014723749 1337885212 /nfs/dbraw/zinc/88/52/12/1337885212.db2.gz RGVGWWXRDDQLAU-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014730918 1337890047 /nfs/dbraw/zinc/89/00/47/1337890047.db2.gz YMQATZJYTSSPRK-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603313 1338204610 /nfs/dbraw/zinc/20/46/10/1338204610.db2.gz RCOHCAJCNCJTSN-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001015794640 1338314884 /nfs/dbraw/zinc/31/48/84/1338314884.db2.gz IPGYJVUAGOBMFE-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001016340282 1338555738 /nfs/dbraw/zinc/55/57/38/1338555738.db2.gz WFBLDBLTSKEAFU-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623310 1338667720 /nfs/dbraw/zinc/66/77/20/1338667720.db2.gz CWHKWGJJKFZWNQ-IEBWSBKVSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702134 1338695901 /nfs/dbraw/zinc/69/59/01/1338695901.db2.gz LBHDCSNXKFSZRZ-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860671 1338749966 /nfs/dbraw/zinc/74/99/66/1338749966.db2.gz JQXDGNQPLBQTLT-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860665 1338750098 /nfs/dbraw/zinc/75/00/98/1338750098.db2.gz JQXDGNQPLBQTLT-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924161 1338771507 /nfs/dbraw/zinc/77/15/07/1338771507.db2.gz RKLBXEVNHZTCFZ-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001017129244 1338884821 /nfs/dbraw/zinc/88/48/21/1338884821.db2.gz YLFCCIGWWAFKPH-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001017141760 1338892974 /nfs/dbraw/zinc/89/29/74/1338892974.db2.gz IMIWEMNCNGLSHN-QGZVFWFLSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001017214220 1338958441 /nfs/dbraw/zinc/95/84/41/1338958441.db2.gz VXOLPVGZCHRGEP-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017659584 1339385807 /nfs/dbraw/zinc/38/58/07/1339385807.db2.gz WMBRYZZEUGWWHR-INDMIFKZSA-N 2 0 347.547 3.115 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093875 1340422799 /nfs/dbraw/zinc/42/27/99/1340422799.db2.gz PUHKYGNDGCHSDA-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028114548 1340436280 /nfs/dbraw/zinc/43/62/80/1340436280.db2.gz IRTLEJYPIOIUJL-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137429 1340449859 /nfs/dbraw/zinc/44/98/59/1340449859.db2.gz JLXAYKFLHFRMTE-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181273 1340472197 /nfs/dbraw/zinc/47/21/97/1340472197.db2.gz PZTJSILZHGNVGY-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCC2)c1 ZINC001028334131 1340571406 /nfs/dbraw/zinc/57/14/06/1340571406.db2.gz SZBVMAGRSCEUAJ-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028538059 1340693608 /nfs/dbraw/zinc/69/36/08/1340693608.db2.gz ZAYJJPXGRREECS-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(NC[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001028594641 1340718954 /nfs/dbraw/zinc/71/89/54/1340718954.db2.gz JKPWZLBHLQQMDU-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028846072 1340856793 /nfs/dbraw/zinc/85/67/93/1340856793.db2.gz XETCHVRLUVAMGM-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028846074 1340857529 /nfs/dbraw/zinc/85/75/29/1340857529.db2.gz XETCHVRLUVAMGM-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029099889 1340930019 /nfs/dbraw/zinc/93/00/19/1340930019.db2.gz XWXJVXWJVNWLBH-FXAWDEMLSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029106581 1340931385 /nfs/dbraw/zinc/93/13/85/1340931385.db2.gz RFVZGHZMFZAPRI-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001029144688 1340942426 /nfs/dbraw/zinc/94/24/26/1340942426.db2.gz MSFLQAPGVBPHLM-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001029147090 1340942596 /nfs/dbraw/zinc/94/25/96/1340942596.db2.gz NHHNLGZKRLWBJI-IAGOWNOFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001029146010 1340942655 /nfs/dbraw/zinc/94/26/55/1340942655.db2.gz GQJULGOQATUDOM-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001029145630 1340942740 /nfs/dbraw/zinc/94/27/40/1340942740.db2.gz BXYCDPSADKSYQU-MSOLQXFVSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029163678 1340946096 /nfs/dbraw/zinc/94/60/96/1340946096.db2.gz AXQLGDRYNYGEIT-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001029755447 1341064250 /nfs/dbraw/zinc/06/42/50/1341064250.db2.gz NETZQYIHWOPEIQ-MSOLQXFVSA-N 2 0 343.515 3.012 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029758844 1341064752 /nfs/dbraw/zinc/06/47/52/1341064752.db2.gz GRGANAUYWUFZOS-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001030020531 1341159848 /nfs/dbraw/zinc/15/98/48/1341159848.db2.gz RDEHJBVOWAGAES-IHPCNDPISA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001030033525 1341162303 /nfs/dbraw/zinc/16/23/03/1341162303.db2.gz MHEZMIBSLXNZRR-ZULIPRJHSA-N 2 0 343.515 3.059 20 0 EGADRP O=C(NC1C[NH+](CCC2CCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001030315444 1341178278 /nfs/dbraw/zinc/17/82/78/1341178278.db2.gz XMKPBOQERQOZEF-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001030825869 1341231809 /nfs/dbraw/zinc/23/18/09/1341231809.db2.gz RDUATCFQMDHDGI-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031584893 1341371765 /nfs/dbraw/zinc/37/17/65/1341371765.db2.gz LLEWSETVKNXBLX-JXFKEZNVSA-N 2 0 343.515 3.013 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031767783 1341399133 /nfs/dbraw/zinc/39/91/33/1341399133.db2.gz YESLEGXKHDMFHV-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001031919140 1341421934 /nfs/dbraw/zinc/42/19/34/1341421934.db2.gz MRVWPZMKIILSNN-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001032129023 1341459872 /nfs/dbraw/zinc/45/98/72/1341459872.db2.gz OTEYXMWSAFUTPI-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032433187 1341511568 /nfs/dbraw/zinc/51/15/68/1341511568.db2.gz LHXNSMTZCQWMHC-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032583943 1341549261 /nfs/dbraw/zinc/54/92/61/1341549261.db2.gz JTDROKSQWHQOEA-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032802520 1341618921 /nfs/dbraw/zinc/61/89/21/1341618921.db2.gz CAWUBIKNRVVVCB-SLFFLAALSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032838184 1341630914 /nfs/dbraw/zinc/63/09/14/1341630914.db2.gz XUWBLSLQWMRYTQ-NSISKUIASA-N 2 0 343.515 3.156 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033074935 1341716639 /nfs/dbraw/zinc/71/66/39/1341716639.db2.gz BYYIGQNSHPJDNX-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033144142 1341738413 /nfs/dbraw/zinc/73/84/13/1341738413.db2.gz SDJSYXBIXRWFAV-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001033357747 1341795635 /nfs/dbraw/zinc/79/56/35/1341795635.db2.gz BUGHGMQYZJZUTA-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033359680 1341796242 /nfs/dbraw/zinc/79/62/42/1341796242.db2.gz AOSLWYQZKADVME-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033684782 1341951195 /nfs/dbraw/zinc/95/11/95/1341951195.db2.gz QMNKRVOFKCNADE-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033856687 1342047312 /nfs/dbraw/zinc/04/73/12/1342047312.db2.gz VOZBFFYERVZCFD-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](F)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989628 1342133510 /nfs/dbraw/zinc/13/35/10/1342133510.db2.gz MSDXQODNVWYKFL-OALUTQOASA-N 2 0 349.494 3.033 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003948 1342141471 /nfs/dbraw/zinc/14/14/71/1342141471.db2.gz JKRXILFYIKYBSG-MJGOQNOKSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001034040359 1342180274 /nfs/dbraw/zinc/18/02/74/1342180274.db2.gz SSBGCMVBRHAWKT-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045544 1342185875 /nfs/dbraw/zinc/18/58/75/1342185875.db2.gz KVCMTFMZPIVZFN-YLJYHZDGSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001034214706 1342322001 /nfs/dbraw/zinc/32/20/01/1342322001.db2.gz PGQFNBKJIPWZOJ-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034240915 1342341269 /nfs/dbraw/zinc/34/12/69/1342341269.db2.gz ULWXZBFVHRWGKV-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474549 1342529372 /nfs/dbraw/zinc/52/93/72/1342529372.db2.gz LQXYNXYMDUWBJI-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC2)C1 ZINC001034481940 1342539205 /nfs/dbraw/zinc/53/92/05/1342539205.db2.gz XTDVLVYQZBSWDQ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538263 1342595422 /nfs/dbraw/zinc/59/54/22/1342595422.db2.gz RJRXHQQHEANTKC-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034538312 1342596722 /nfs/dbraw/zinc/59/67/22/1342596722.db2.gz LNTRRPCEONJFRE-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034540647 1342599801 /nfs/dbraw/zinc/59/98/01/1342599801.db2.gz JPTRJOQSFLPVRJ-LJQANCHMSA-N 2 0 343.515 3.299 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034612568 1342648347 /nfs/dbraw/zinc/64/83/47/1342648347.db2.gz SXQJYQXSAGXMAX-MLYOOKFZSA-N 2 0 343.515 3.167 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034642454 1342667819 /nfs/dbraw/zinc/66/78/19/1342667819.db2.gz FCZUMOUNGJUAST-KZNAEPCWSA-N 2 0 349.544 3.138 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001034722376 1342715745 /nfs/dbraw/zinc/71/57/45/1342715745.db2.gz XNWDKYLETBEZHU-NOKIBDOBSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CC(C)C)CC2)o1 ZINC001034801645 1342766722 /nfs/dbraw/zinc/76/67/22/1342766722.db2.gz UWDMITBMGOYFNO-QAQDUYKDSA-N 2 0 349.519 3.408 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001034816329 1342779988 /nfs/dbraw/zinc/77/99/88/1342779988.db2.gz NCEGPPHUKVVZFC-IBGZPJMESA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001034826054 1342787272 /nfs/dbraw/zinc/78/72/72/1342787272.db2.gz DOQHXCXCJXUHOW-UHFFFAOYSA-N 2 0 339.483 3.176 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034979445 1342863409 /nfs/dbraw/zinc/86/34/09/1342863409.db2.gz RRCNDGWFCLHERI-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1)c1ccccc1 ZINC001034984633 1342864908 /nfs/dbraw/zinc/86/49/08/1342864908.db2.gz AKFVTOADIWMVGZ-VQIMIIECSA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001035038520 1342892183 /nfs/dbraw/zinc/89/21/83/1342892183.db2.gz JYFPERIYPCNLOD-KFKAGJAMSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccccc1Cl ZINC001035127654 1342944739 /nfs/dbraw/zinc/94/47/39/1342944739.db2.gz VUPKOONRZRHMAJ-JKSUJKDBSA-N 2 0 349.906 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001035133055 1342948732 /nfs/dbraw/zinc/94/87/32/1342948732.db2.gz IXXRQLCJLVEVMA-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1)[NH+](C)C ZINC001035197964 1343011335 /nfs/dbraw/zinc/01/13/35/1343011335.db2.gz XOCHNOGQQSYEIA-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC2 ZINC001035219510 1343040077 /nfs/dbraw/zinc/04/00/77/1343040077.db2.gz XIHHFPZGJPTMJG-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035257905 1343084714 /nfs/dbraw/zinc/08/47/14/1343084714.db2.gz AMBXCQDLQABILE-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035260509 1343088092 /nfs/dbraw/zinc/08/80/92/1343088092.db2.gz XIRQNMHPQMBFCZ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C[NH+](CCCC3CCCC3)C2)CC1)[NH+](C)C ZINC001035796481 1343203710 /nfs/dbraw/zinc/20/37/10/1343203710.db2.gz FYTUBKMPWWQHPG-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036312276 1343413567 /nfs/dbraw/zinc/41/35/67/1343413567.db2.gz STBWMZRFPSUJMM-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001036587687 1343565650 /nfs/dbraw/zinc/56/56/50/1343565650.db2.gz KTPRCNQSBSHRGX-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755212 1343676801 /nfs/dbraw/zinc/67/68/01/1343676801.db2.gz SMFLKWLDVGCBPM-IEBWSBKVSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793418 1343725946 /nfs/dbraw/zinc/72/59/46/1343725946.db2.gz DZZBNZLLUUWEDD-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001037056308 1343953648 /nfs/dbraw/zinc/95/36/48/1343953648.db2.gz DURZVLVYJHWFGU-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCC2)c1 ZINC001037121731 1343978468 /nfs/dbraw/zinc/97/84/68/1343978468.db2.gz PFQWHRVWBZYZQQ-PMACEKPBSA-N 2 0 343.515 3.036 20 0 EGADRP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)c1ccc2c[nH+]cn2c1 ZINC001037213311 1344045718 /nfs/dbraw/zinc/04/57/18/1344045718.db2.gz IILLLLGVUQIQAC-APWZRJJASA-N 2 0 340.471 3.013 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001037240751 1344063085 /nfs/dbraw/zinc/06/30/85/1344063085.db2.gz MIJOIDLJDQDZTP-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001037280946 1344071996 /nfs/dbraw/zinc/07/19/96/1344071996.db2.gz YOWDNPJDXXYOFT-OALUTQOASA-N 2 0 331.504 3.035 20 0 EGADRP CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037927392 1344185987 /nfs/dbraw/zinc/18/59/87/1344185987.db2.gz ANQUEHVSCDYQAC-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1[NH2+]CC(C)C ZINC001037940510 1344193714 /nfs/dbraw/zinc/19/37/14/1344193714.db2.gz MKRWLKUJLLQXNH-QUCCMNQESA-N 2 0 345.531 3.235 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038319601 1344377963 /nfs/dbraw/zinc/37/79/63/1344377963.db2.gz AWULTWOEASDAJM-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038448130 1344430472 /nfs/dbraw/zinc/43/04/72/1344430472.db2.gz HBLZKHIUTWWJHW-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCC1 ZINC001038910170 1344647588 /nfs/dbraw/zinc/64/75/88/1344647588.db2.gz VASGKRMRBQXQKS-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001039159661 1344844648 /nfs/dbraw/zinc/84/46/48/1344844648.db2.gz UEZMBKDEFNWRNL-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237247 1344959416 /nfs/dbraw/zinc/95/94/16/1344959416.db2.gz GATXCWMGXDNUMT-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001039249489 1344979382 /nfs/dbraw/zinc/97/93/82/1344979382.db2.gz AZOVWMVPZFTIEC-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039286271 1344997251 /nfs/dbraw/zinc/99/72/51/1344997251.db2.gz LPQPLFSIDNNFOH-MSRNWOCLSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452371 1345075281 /nfs/dbraw/zinc/07/52/81/1345075281.db2.gz SPIPKABYZJSAMT-UXHICEINSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039473890 1345088407 /nfs/dbraw/zinc/08/84/07/1345088407.db2.gz HGBFAHPMWRTCLE-MOPGFXCFSA-N 2 0 343.515 3.083 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001039528567 1345131537 /nfs/dbraw/zinc/13/15/37/1345131537.db2.gz PIUBDSYTOPLPLL-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC1CC[NH+](CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC1 ZINC001039952880 1345259000 /nfs/dbraw/zinc/25/90/00/1345259000.db2.gz CFAAFFIHYPJXCN-KDURUIRLSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)C)C3)CC[N@@H+]1C ZINC001040208664 1345376146 /nfs/dbraw/zinc/37/61/46/1345376146.db2.gz AQSVVWIBZAQEHC-QKNQBKEWSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCC1)C2)[NH+](C)C ZINC001040260377 1345399784 /nfs/dbraw/zinc/39/97/84/1345399784.db2.gz CRZIWRXQMIVNKP-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040277022 1345408003 /nfs/dbraw/zinc/40/80/03/1345408003.db2.gz TYPYMWCICGUZAM-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2)[NH+](C)C ZINC001040398464 1345476117 /nfs/dbraw/zinc/47/61/17/1345476117.db2.gz ISYFOGZAERQPEI-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040481250 1345514975 /nfs/dbraw/zinc/51/49/75/1345514975.db2.gz ZTNZRZNMYSPJLF-OAQYLSRUSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040544569 1345539255 /nfs/dbraw/zinc/53/92/55/1345539255.db2.gz WPGVQFQGRXFWPF-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001040744763 1345573494 /nfs/dbraw/zinc/57/34/94/1345573494.db2.gz AYRZMYVPPSYNBN-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)CC1 ZINC001040755175 1345575315 /nfs/dbraw/zinc/57/53/15/1345575315.db2.gz QGRSJPUKTMGTFK-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953190 1345609429 /nfs/dbraw/zinc/60/94/29/1345609429.db2.gz KUZFNDFXCYYGEC-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357740 1345709923 /nfs/dbraw/zinc/70/99/23/1345709923.db2.gz INMMGTGBGKEMJU-CTNGQTDRSA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041781983 1345847807 /nfs/dbraw/zinc/84/78/07/1345847807.db2.gz NRFNLIYARMSYHK-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001042538354 1346087260 /nfs/dbraw/zinc/08/72/60/1346087260.db2.gz KAWLTLVLRVGLAQ-FAFZWHIHSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001042917369 1346124675 /nfs/dbraw/zinc/12/46/75/1346124675.db2.gz FRBFJSBWOLZJNS-LJQANCHMSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001042921555 1346124930 /nfs/dbraw/zinc/12/49/30/1346124930.db2.gz KQAMKJFBHIJEKC-CTWPCTMYSA-N 2 0 349.563 3.218 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+](CCC2CCCCC2)C1 ZINC001043355052 1346169048 /nfs/dbraw/zinc/16/90/48/1346169048.db2.gz LSTIXWVNULOHMK-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCC2)C1 ZINC001044170447 1346265266 /nfs/dbraw/zinc/26/52/66/1346265266.db2.gz OZAQTWUKUQNBSI-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)CCC1 ZINC001045069180 1346489497 /nfs/dbraw/zinc/48/94/97/1346489497.db2.gz UWFRSZJJYJGKGJ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045069439 1346489518 /nfs/dbraw/zinc/48/95/18/1346489518.db2.gz YTMXPKNVLMUECL-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045173794 1346515161 /nfs/dbraw/zinc/51/51/61/1346515161.db2.gz WZDPNMTWEYFSRD-SFHVURJKSA-N 2 0 345.487 3.036 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001045273467 1346545323 /nfs/dbraw/zinc/54/53/23/1346545323.db2.gz KLMPGHXIIZICBX-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001045322384 1346559894 /nfs/dbraw/zinc/55/98/94/1346559894.db2.gz OZKXPIJBGUXTBV-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001045322383 1346559926 /nfs/dbraw/zinc/55/99/26/1346559926.db2.gz OZKXPIJBGUXTBV-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441669 1346594527 /nfs/dbraw/zinc/59/45/27/1346594527.db2.gz IQCAYDFWYGJCDG-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2(C)CC[NH+](C/C=C/Cl)CC2)c1 ZINC001045647083 1346657726 /nfs/dbraw/zinc/65/77/26/1346657726.db2.gz QQPCQXMMKXBMDU-BJMVGYQFSA-N 2 0 349.906 3.085 20 0 EGADRP CC[C@H](F)C[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045646124 1346657753 /nfs/dbraw/zinc/65/77/53/1346657753.db2.gz DNBGMJFICHRRLD-SFHVURJKSA-N 2 0 349.494 3.081 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001045847643 1346720271 /nfs/dbraw/zinc/72/02/71/1346720271.db2.gz LYQQWQSKOXBSJL-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949137 1346783902 /nfs/dbraw/zinc/78/39/02/1346783902.db2.gz YLIKJBYXSHBORM-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949134 1346784098 /nfs/dbraw/zinc/78/40/98/1346784098.db2.gz YLIKJBYXSHBORM-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958627 1346793192 /nfs/dbraw/zinc/79/31/92/1346793192.db2.gz UWJJGHYLUJRFQF-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001045984679 1346825247 /nfs/dbraw/zinc/82/52/47/1346825247.db2.gz GLBVMWGQMWGCPE-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045986257 1346827314 /nfs/dbraw/zinc/82/73/14/1346827314.db2.gz MGIRODAHLAVHQK-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046314292 1346931498 /nfs/dbraw/zinc/93/14/98/1346931498.db2.gz AXRZALJCFNLNLC-PZJWPPBQSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318365 1346933178 /nfs/dbraw/zinc/93/31/78/1346933178.db2.gz KUJDOQKAJAHRAT-GHTZIAJQSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCC2CCCCCC2)C1 ZINC001046776884 1347095281 /nfs/dbraw/zinc/09/52/81/1347095281.db2.gz LSTJHBOQVDYEGM-HXUWFJFHSA-N 2 0 347.547 3.023 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046850869 1347129510 /nfs/dbraw/zinc/12/95/10/1347129510.db2.gz AXTGSFAMHJBGHD-OAQYLSRUSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047242541 1347268712 /nfs/dbraw/zinc/26/87/12/1347268712.db2.gz UVRQYHHJIVOHMK-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001047256819 1347279975 /nfs/dbraw/zinc/27/99/75/1347279975.db2.gz CGSSQWWEFCBZDL-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001047257913 1347280870 /nfs/dbraw/zinc/28/08/70/1347280870.db2.gz RFLJREIRWCYBMS-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001047890347 1347400401 /nfs/dbraw/zinc/40/04/01/1347400401.db2.gz ZMEAJZFNCMXQCW-AEFFLSMTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048294286 1347511122 /nfs/dbraw/zinc/51/11/22/1347511122.db2.gz DVCONGBPDJUCJC-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048338941 1347523059 /nfs/dbraw/zinc/52/30/59/1347523059.db2.gz OQOOLYOVVRLZLI-MJGOQNOKSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001048510451 1347572953 /nfs/dbraw/zinc/57/29/53/1347572953.db2.gz MHMRWLZZECSUTD-IYWMVGAKSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048530903 1347580569 /nfs/dbraw/zinc/58/05/69/1347580569.db2.gz DSYSGSOLOSCXGI-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001048611122 1347618059 /nfs/dbraw/zinc/61/80/59/1347618059.db2.gz OUHHPWOOBWQGMB-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001048622648 1347622394 /nfs/dbraw/zinc/62/23/94/1347622394.db2.gz IZGOABCYMPPXIP-IYARVYRRSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001049483341 1347871042 /nfs/dbraw/zinc/87/10/42/1347871042.db2.gz VYHMQPRMQTYDGV-RDGPPVDQSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC2CCCC2)CCC1 ZINC001049517667 1347888514 /nfs/dbraw/zinc/88/85/14/1347888514.db2.gz LUQXJRAXESVTFW-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049550116 1347903285 /nfs/dbraw/zinc/90/32/85/1347903285.db2.gz KEUHZGLOSNRYPS-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049550482 1347903843 /nfs/dbraw/zinc/90/38/43/1347903843.db2.gz MGZCHXLQQPOFGR-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563195 1347910693 /nfs/dbraw/zinc/91/06/93/1347910693.db2.gz CXQUAKQMACYNHC-QZTJIDSGSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568431 1347914807 /nfs/dbraw/zinc/91/48/07/1347914807.db2.gz UETPNMPZMWHQGV-MSOLQXFVSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806974 1348029200 /nfs/dbraw/zinc/02/92/00/1348029200.db2.gz QIQFBDXDTBQXTD-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1 ZINC001049892798 1348096655 /nfs/dbraw/zinc/09/66/55/1348096655.db2.gz AHIBCXHTUCKTLU-VQTJNVASSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21)[NH+](C)C ZINC001050075269 1348174057 /nfs/dbraw/zinc/17/40/57/1348174057.db2.gz AFSBLAJMXFDDLZ-GNWGEKMJSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001050257500 1348220850 /nfs/dbraw/zinc/22/08/50/1348220850.db2.gz IYMQIRPVOUELPE-JXFKEZNVSA-N 2 0 343.515 3.238 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050543686 1348287059 /nfs/dbraw/zinc/28/70/59/1348287059.db2.gz KCKZTTDWKKUNIK-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCc2c(CNC(=O)c3ccc4c[nH+]cn4c3)cccc2C1 ZINC001051293962 1348422821 /nfs/dbraw/zinc/42/28/21/1348422821.db2.gz YGLSKDMOCVZLHA-UHFFFAOYSA-N 2 0 348.450 3.031 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC001051342170 1348437877 /nfs/dbraw/zinc/43/78/77/1348437877.db2.gz KPEXPSAQNDBEDA-CSODTCANSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C)[NH+](C)C ZINC001051342195 1348437901 /nfs/dbraw/zinc/43/79/01/1348437901.db2.gz WYOVULLGKLHJJW-QWFCFKBJSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C)[NH+](C)C ZINC001051356872 1348442620 /nfs/dbraw/zinc/44/26/20/1348442620.db2.gz WYOVULLGKLHJJW-NSHGMRRFSA-N 2 0 345.531 3.367 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCC2)CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001052447537 1348543630 /nfs/dbraw/zinc/54/36/30/1348543630.db2.gz GZIRPSZXLXSBMB-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448296 1348544281 /nfs/dbraw/zinc/54/42/81/1348544281.db2.gz XBAURIBZSQSNOW-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052499153 1348559398 /nfs/dbraw/zinc/55/93/98/1348559398.db2.gz OTAHAYHHFZJCRW-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052516672 1348564263 /nfs/dbraw/zinc/56/42/63/1348564263.db2.gz QHNQRWLVGMKRHK-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561524 1348579936 /nfs/dbraw/zinc/57/99/36/1348579936.db2.gz AMGHKJRVVOETTL-SFHVURJKSA-N 2 0 342.487 3.355 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001052590806 1348588881 /nfs/dbraw/zinc/58/88/81/1348588881.db2.gz HAGWFQYHIVPLLC-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651888 1348614145 /nfs/dbraw/zinc/61/41/45/1348614145.db2.gz OLKHNGVFDVJNIG-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837773 1348695633 /nfs/dbraw/zinc/69/56/33/1348695633.db2.gz VUIUKUCOQCILRX-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837528 1348695671 /nfs/dbraw/zinc/69/56/71/1348695671.db2.gz QHXLONSEDRRDGC-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052868797 1348710663 /nfs/dbraw/zinc/71/06/63/1348710663.db2.gz YEWRBMGHVZYUTC-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934088 1348754693 /nfs/dbraw/zinc/75/46/93/1348754693.db2.gz HRGGHTBQLDPWRW-VQTJNVASSA-N 2 0 343.515 3.204 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937886 1348756519 /nfs/dbraw/zinc/75/65/19/1348756519.db2.gz ONWXMNOLCQMIBK-RTBURBONSA-N 2 0 343.515 3.123 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954323 1348768457 /nfs/dbraw/zinc/76/84/57/1348768457.db2.gz MWEMMNKNKHJSAQ-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052955568 1348769776 /nfs/dbraw/zinc/76/97/76/1348769776.db2.gz HHXYJMXYSIJISW-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956856 1348771120 /nfs/dbraw/zinc/77/11/20/1348771120.db2.gz AHZRAWRACYQOJH-AEFFLSMTSA-N 2 0 349.494 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044611 1348845708 /nfs/dbraw/zinc/84/57/08/1348845708.db2.gz QQBIFUFCIYJTJG-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053055062 1348862696 /nfs/dbraw/zinc/86/26/96/1348862696.db2.gz VHGYGUKEKMNADB-PMACEKPBSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100472 1348933641 /nfs/dbraw/zinc/93/36/41/1348933641.db2.gz HIIJRZRMKHWNIH-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054159465 1349161392 /nfs/dbraw/zinc/16/13/92/1349161392.db2.gz VVCSXDLTBCLBBQ-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198290 1349200607 /nfs/dbraw/zinc/20/06/07/1349200607.db2.gz UVPMLNYEQBCWNK-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209490 1349210346 /nfs/dbraw/zinc/21/03/46/1349210346.db2.gz REMXKGQSMJHSEW-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245281 1349238439 /nfs/dbraw/zinc/23/84/39/1349238439.db2.gz QKUXARJFWWWAOS-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001054297707 1349301944 /nfs/dbraw/zinc/30/19/44/1349301944.db2.gz PBSBJXVPZXOAMF-QGZVKYPTSA-N 2 0 343.515 3.059 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001054298425 1349302194 /nfs/dbraw/zinc/30/21/94/1349302194.db2.gz NOSWXCMPJSMNQT-QRVBRYPASA-N 2 0 349.494 3.198 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080013635 1357458015 /nfs/dbraw/zinc/45/80/15/1357458015.db2.gz SIVVVRQOTZDFRE-AUUYWEPGSA-N 2 0 342.487 3.129 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001080021727 1357460648 /nfs/dbraw/zinc/46/06/48/1357460648.db2.gz OJQUFFCRSYXUTA-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001054854455 1349489089 /nfs/dbraw/zinc/48/90/89/1349489089.db2.gz ULZIPQAYSDTGKA-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080556997 1357676625 /nfs/dbraw/zinc/67/66/25/1357676625.db2.gz AZAWOPPBJQOHSU-QRQLOZEOSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554245 1357676720 /nfs/dbraw/zinc/67/67/20/1357676720.db2.gz HVINHQSYWCKWPR-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001323016357 1387266647 /nfs/dbraw/zinc/26/66/47/1387266647.db2.gz WEUXUTNALPBLGS-QFBILLFUSA-N 2 0 343.515 3.025 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001071627389 1354811881 /nfs/dbraw/zinc/81/18/81/1354811881.db2.gz FCFWAXQFXQJCCP-WMLDXEAASA-N 2 0 340.471 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071646443 1354824222 /nfs/dbraw/zinc/82/42/22/1354824222.db2.gz YLKVCPILPVMLOH-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCC(C)(C)C ZINC001071646161 1354824334 /nfs/dbraw/zinc/82/43/34/1354824334.db2.gz SNLDPTRBDFBCED-IRXDYDNUSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC001071685533 1354850002 /nfs/dbraw/zinc/85/00/02/1354850002.db2.gz DAQNQVFESMJXLL-QFBILLFUSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001071735039 1354887509 /nfs/dbraw/zinc/88/75/09/1354887509.db2.gz FGBXTMWFFCRIDQ-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC001071739324 1354888556 /nfs/dbraw/zinc/88/85/56/1354888556.db2.gz QVNIWEQKLTUWLC-IAGOWNOFSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCC1CCCCC1 ZINC001071794793 1354940624 /nfs/dbraw/zinc/94/06/24/1354940624.db2.gz FQBOUUZNOUNEDF-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)o1 ZINC001072109578 1355137094 /nfs/dbraw/zinc/13/70/94/1355137094.db2.gz JHSLWRDJRPABJQ-WBVHZDCISA-N 2 0 347.503 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(CC)CC)C3)C1 ZINC001072907783 1355491347 /nfs/dbraw/zinc/49/13/47/1355491347.db2.gz YGBWRJDAZWCEKE-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035358 1355563518 /nfs/dbraw/zinc/56/35/18/1355563518.db2.gz FEQYLIGVQKXMDD-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCC2)CC[N@@H+]1C ZINC001074018233 1356037646 /nfs/dbraw/zinc/03/76/46/1356037646.db2.gz RLMRJHFKYNKMNO-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C)c1ccccc1 ZINC001074993712 1356282492 /nfs/dbraw/zinc/28/24/92/1356282492.db2.gz VIXIXIIIGRSYHG-HBFSDRIKSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001075073085 1356292954 /nfs/dbraw/zinc/29/29/54/1356292954.db2.gz UJUXZSQBCSHQJT-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001075881162 1356438264 /nfs/dbraw/zinc/43/82/64/1356438264.db2.gz GHVJHGHBAOETSN-IPMKNSEASA-N 2 0 349.563 3.218 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126849 1363639583 /nfs/dbraw/zinc/63/95/83/1363639583.db2.gz YLXIFUPEWFRFHQ-ZWHYWQQASA-N 2 0 337.552 3.290 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099297410 1363737306 /nfs/dbraw/zinc/73/73/06/1363737306.db2.gz GDDDVWMIMQRYAL-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078639137 1357047166 /nfs/dbraw/zinc/04/71/66/1357047166.db2.gz CMBJXROMQOEQIE-CVEARBPZSA-N 2 0 349.544 3.096 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001080998810 1357777274 /nfs/dbraw/zinc/77/72/74/1357777274.db2.gz OJQWTLKTVSXSRF-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081027397 1357786214 /nfs/dbraw/zinc/78/62/14/1357786214.db2.gz ONGMBUNMDCFOAO-JFIYKMOQSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082507395 1358052839 /nfs/dbraw/zinc/05/28/39/1358052839.db2.gz OZINBJFGMQMNKW-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)c1ccccc1 ZINC001082557629 1358056952 /nfs/dbraw/zinc/05/69/52/1358056952.db2.gz UITKJMQOMMYVKL-NZSAHSFTSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082596298 1358065359 /nfs/dbraw/zinc/06/53/59/1358065359.db2.gz DELUTRQLIQMRAL-QRQLOZEOSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082596586 1358065383 /nfs/dbraw/zinc/06/53/83/1358065383.db2.gz QNISZMMJTSDVTB-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085217769 1358436216 /nfs/dbraw/zinc/43/62/16/1358436216.db2.gz PNHPJFROKYAXDH-VAMGGRTRSA-N 2 0 347.547 3.378 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085244886 1358443417 /nfs/dbraw/zinc/44/34/17/1358443417.db2.gz CGRCNDNAKJSQMQ-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001085295318 1358455922 /nfs/dbraw/zinc/45/59/22/1358455922.db2.gz AQWPGLXADPRZCN-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)C1 ZINC001085332619 1358470346 /nfs/dbraw/zinc/47/03/46/1358470346.db2.gz GAFBPOJACUFVEO-DFQSSKMNSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1)C12CC[NH+](CC1)C2 ZINC001085395456 1358488255 /nfs/dbraw/zinc/48/82/55/1358488255.db2.gz MSMLTBGIHYRTQN-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001085421832 1358495325 /nfs/dbraw/zinc/49/53/25/1358495325.db2.gz YEPDGNCFWMSZDG-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085638840 1358652259 /nfs/dbraw/zinc/65/22/59/1358652259.db2.gz BSKBECCNEAZCHF-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085778608 1358754038 /nfs/dbraw/zinc/75/40/38/1358754038.db2.gz CLYJOHZAXMDOLQ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183827244 1387354723 /nfs/dbraw/zinc/35/47/23/1387354723.db2.gz XCYQYTLGOLRSRV-QGZVFWFLSA-N 2 0 337.552 3.266 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1CCCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798836 1358774480 /nfs/dbraw/zinc/77/44/80/1358774480.db2.gz BMOMGSHTDIKSNQ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001183844927 1387358074 /nfs/dbraw/zinc/35/80/74/1387358074.db2.gz KSJLFDJZBXCNRS-KEGWNNHHSA-N 2 0 340.471 3.193 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086133991 1359005424 /nfs/dbraw/zinc/00/54/24/1359005424.db2.gz MTJYDSYTNJAZIR-ZCNNSNEGSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086278188 1359051281 /nfs/dbraw/zinc/05/12/81/1359051281.db2.gz LEOLMMWXHQADBP-VWAQSERHSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086278334 1359052023 /nfs/dbraw/zinc/05/20/23/1359052023.db2.gz RIUKIIHSLVGXNX-HSALFYBXSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086364774 1359078570 /nfs/dbraw/zinc/07/85/70/1359078570.db2.gz RCIJUCAMSHNHIU-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086694568 1359187569 /nfs/dbraw/zinc/18/75/69/1359187569.db2.gz YJLMGMXAVWDLJX-XUVXKRRUSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001086700641 1359187964 /nfs/dbraw/zinc/18/79/64/1359187964.db2.gz DAOWOVSRFPTVJX-ZGXWSNOMSA-N 2 0 347.547 3.092 20 0 EGADRP CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CCCC1)CC2)[NH+](C)C ZINC001086928807 1359253732 /nfs/dbraw/zinc/25/37/32/1359253732.db2.gz PBUZMGPXRNNMDS-IEBWSBKVSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001086937935 1359260693 /nfs/dbraw/zinc/26/06/93/1359260693.db2.gz DHRQIOWFHLZYDA-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939156 1359261600 /nfs/dbraw/zinc/26/16/00/1359261600.db2.gz JORLQAPYHWSXOV-OTWHNJEPSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001087246051 1359329710 /nfs/dbraw/zinc/32/97/10/1359329710.db2.gz WOVYLUIBJDPJCB-HBFSDRIKSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCCC1CCC1 ZINC001087569641 1359536139 /nfs/dbraw/zinc/53/61/39/1359536139.db2.gz GKBMILGNQXNOAF-XUVXKRRUSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCC(C)C ZINC001087572104 1359537434 /nfs/dbraw/zinc/53/74/34/1359537434.db2.gz AWIVZEDBMJWZFE-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)[C@@H]1CC ZINC001087593447 1359548050 /nfs/dbraw/zinc/54/80/50/1359548050.db2.gz HFQWCDCGHZMJAV-OTWHNJEPSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CCCC1 ZINC001087602220 1359550754 /nfs/dbraw/zinc/55/07/54/1359550754.db2.gz FMXXUQQPFCHZJW-HSALFYBXSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCCC1CCC1 ZINC001087640819 1359566340 /nfs/dbraw/zinc/56/63/40/1359566340.db2.gz YTAXLTNVNBJAQP-RBUKOAKNSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1=CCCCC1 ZINC001087640616 1359566892 /nfs/dbraw/zinc/56/68/92/1359566892.db2.gz NJXKWKWVOFSJBF-RBUKOAKNSA-N 2 0 345.531 3.084 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001087684827 1359588357 /nfs/dbraw/zinc/58/83/57/1359588357.db2.gz QHLGUBZRTRFLCU-RBUKOAKNSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC1CCC1 ZINC001087749414 1359626272 /nfs/dbraw/zinc/62/62/72/1359626272.db2.gz KADQQXZOIMNXIK-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CCC(C)C ZINC001087749629 1359626801 /nfs/dbraw/zinc/62/68/01/1359626801.db2.gz RZRCDNDCMQUMTD-CEXWTWQISA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[N@@H+]1CC1CC1 ZINC001087845297 1359678714 /nfs/dbraw/zinc/67/87/14/1359678714.db2.gz RVXOWRZTNYJYRA-ZWKOTPCHSA-N 2 0 347.503 3.114 20 0 EGADRP Cc1c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC001323657155 1387416987 /nfs/dbraw/zinc/41/69/87/1387416987.db2.gz WMWNCKXNTJMLHP-RVKKMQEKSA-N 2 0 340.471 3.120 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001088327172 1359831696 /nfs/dbraw/zinc/83/16/96/1359831696.db2.gz HGYWUQARCSSIOZ-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001088404645 1359876856 /nfs/dbraw/zinc/87/68/56/1359876856.db2.gz BTMIMJCJTWXEEQ-MHJFOBGBSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1 ZINC001088411910 1359883669 /nfs/dbraw/zinc/88/36/69/1359883669.db2.gz SVCRQAUYFDZFEV-RTBURBONSA-N 2 0 337.552 3.410 20 0 EGADRP O=C(N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001088414215 1359884635 /nfs/dbraw/zinc/88/46/35/1359884635.db2.gz ZRRUDKXKKZNYGQ-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[C@H]1CN(C(=O)CCc2ncc[nH]2)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001184273194 1387421831 /nfs/dbraw/zinc/42/18/31/1387421831.db2.gz JPTFBAIFNHLABK-DLBZAZTESA-N 2 0 348.535 3.243 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088563449 1359974161 /nfs/dbraw/zinc/97/41/61/1359974161.db2.gz QQVOPGYEJWUJFX-NEWSRXKRSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569424 1359976946 /nfs/dbraw/zinc/97/69/46/1359976946.db2.gz SPOZHLVESOTDMG-HBFSDRIKSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088621895 1359993688 /nfs/dbraw/zinc/99/36/88/1359993688.db2.gz YEMMKMQDJCHBCY-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H]2C)c1 ZINC001088748778 1360030657 /nfs/dbraw/zinc/03/06/57/1360030657.db2.gz WAVVYEAELYGIKG-UZLBHIALSA-N 2 0 348.450 3.036 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001089060806 1360153031 /nfs/dbraw/zinc/15/30/31/1360153031.db2.gz HOYQUYIOXBVZLR-NJAFHUGGSA-N 2 0 349.544 3.010 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CC2)cc1 ZINC001089239927 1360276714 /nfs/dbraw/zinc/27/67/14/1360276714.db2.gz BGYRDBSEOGHVEQ-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333636 1360347352 /nfs/dbraw/zinc/34/73/52/1360347352.db2.gz BMNJSPFOWBXHNK-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336507 1360349988 /nfs/dbraw/zinc/34/99/88/1360349988.db2.gz UWMFXISACYMELD-MOPGFXCFSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089391838 1360392508 /nfs/dbraw/zinc/39/25/08/1360392508.db2.gz PWFPESQQRCVBEF-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429702 1360421610 /nfs/dbraw/zinc/42/16/10/1360421610.db2.gz DTURPGUIWGTVGR-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477027 1360459567 /nfs/dbraw/zinc/45/95/67/1360459567.db2.gz JREQRXWLOLTTTH-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488141 1360467824 /nfs/dbraw/zinc/46/78/24/1360467824.db2.gz REJIBEGJKKCZMJ-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089492351 1360470156 /nfs/dbraw/zinc/47/01/56/1360470156.db2.gz HHWQINPZUYQSHV-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509040 1360480767 /nfs/dbraw/zinc/48/07/67/1360480767.db2.gz DELLLDRFQICXKP-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089511805 1360483422 /nfs/dbraw/zinc/48/34/22/1360483422.db2.gz VVYJHCBEVDKXRQ-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089534046 1360493666 /nfs/dbraw/zinc/49/36/66/1360493666.db2.gz NGYXAQKROVIPFX-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089564869 1360511563 /nfs/dbraw/zinc/51/15/63/1360511563.db2.gz KGZBXTDAJYEUDK-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662841 1360573263 /nfs/dbraw/zinc/57/32/63/1360573263.db2.gz GKEULCREWHWIBE-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[N@H+](CC2CCC2)C1 ZINC001089665475 1360575795 /nfs/dbraw/zinc/57/57/95/1360575795.db2.gz XKCMGXZTMZSSCM-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089684185 1360589329 /nfs/dbraw/zinc/58/93/29/1360589329.db2.gz NINKUNUGZFBJTI-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2)[NH+](CC)CC ZINC001323831919 1387468718 /nfs/dbraw/zinc/46/87/18/1387468718.db2.gz JKNFENPCWHMFDY-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP O=C(NCC1CC([NH2+]CC2CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001091199619 1361004957 /nfs/dbraw/zinc/00/49/57/1361004957.db2.gz SLYZUPKBDREZMT-QLOJAFMTSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672140 1361176974 /nfs/dbraw/zinc/17/69/74/1361176974.db2.gz ILLBRAVCAOVJHG-OPYAIIAOSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184627967 1387501281 /nfs/dbraw/zinc/50/12/81/1387501281.db2.gz AIIIYHDITPDAKM-HPFMTEOYSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC3CCCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022323 1361275775 /nfs/dbraw/zinc/27/57/75/1361275775.db2.gz SJVRGERKXYKAHN-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650679 1361432081 /nfs/dbraw/zinc/43/20/81/1361432081.db2.gz KFGPWPPAMIJJBF-NVXWUHKLSA-N 2 0 349.544 3.074 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184712308 1387516830 /nfs/dbraw/zinc/51/68/30/1387516830.db2.gz LVWHCUMQBKGODO-ROUUACIJSA-N 2 0 339.568 3.371 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413375 1361790517 /nfs/dbraw/zinc/79/05/17/1361790517.db2.gz CRFGMNVORAAHHZ-NLWGTHIKSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094537127 1361849475 /nfs/dbraw/zinc/84/94/75/1361849475.db2.gz MRNMNAAGOKARPQ-TZIWHRDSSA-N 2 0 343.515 3.133 20 0 EGADRP CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001095065818 1362002687 /nfs/dbraw/zinc/00/26/87/1362002687.db2.gz QJFYVBRDDAWYGY-BBWFWOEESA-N 2 0 347.503 3.114 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417157 1362133616 /nfs/dbraw/zinc/13/36/16/1362133616.db2.gz ILKZKQVROFWDCS-LMCOJAPRSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095694901 1362203398 /nfs/dbraw/zinc/20/33/98/1362203398.db2.gz DDNOETPFJFRZRU-NEWSRXKRSA-N 2 0 340.471 3.106 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095767378 1362223765 /nfs/dbraw/zinc/22/37/65/1362223765.db2.gz ASCAJMZACSUTFX-NEWSRXKRSA-N 2 0 340.471 3.106 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096168690 1362411738 /nfs/dbraw/zinc/41/17/38/1362411738.db2.gz MAZZYCJMCGGCOY-AABGKKOBSA-N 2 0 343.515 3.129 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001096314270 1362460640 /nfs/dbraw/zinc/46/06/40/1362460640.db2.gz APZFUJAWGHGCEW-FUMNGEBKSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001097062981 1362829263 /nfs/dbraw/zinc/82/92/63/1362829263.db2.gz APKFZAWZOKDPDY-ZRNYENFQSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185052643 1387600384 /nfs/dbraw/zinc/60/03/84/1387600384.db2.gz OSMUYXUNMCDRLB-IRXDYDNUSA-N 2 0 349.519 3.075 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097395691 1362970511 /nfs/dbraw/zinc/97/05/11/1362970511.db2.gz VEVRRVGBXXHELG-LRHNDGHRSA-N 2 0 340.471 3.024 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097848248 1363140921 /nfs/dbraw/zinc/14/09/21/1363140921.db2.gz NUELPHXHERMOSH-AFYVEPGGSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098464135 1363332844 /nfs/dbraw/zinc/33/28/44/1363332844.db2.gz NKTRIMBQXZIPKU-AKHDSKFASA-N 2 0 335.536 3.019 20 0 EGADRP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001098815128 1363479875 /nfs/dbraw/zinc/47/98/75/1363479875.db2.gz UROZDMVJSUMRGI-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001324458203 1387629752 /nfs/dbraw/zinc/62/97/52/1387629752.db2.gz XSWVEXUGJPATNZ-SJORKVTESA-N 2 0 348.560 3.358 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116352 1363632166 /nfs/dbraw/zinc/63/21/66/1363632166.db2.gz QYDBWTDQHYYARH-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099198805 1363688055 /nfs/dbraw/zinc/68/80/55/1363688055.db2.gz FOGDNBLXOFULEF-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099252308 1363715143 /nfs/dbraw/zinc/71/51/43/1363715143.db2.gz UMNBORJHOWRJOP-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099311281 1363744479 /nfs/dbraw/zinc/74/44/79/1363744479.db2.gz ZNSGCZFUDJMMIM-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001099321300 1363749353 /nfs/dbraw/zinc/74/93/53/1363749353.db2.gz TTZVENYVLZHKDA-SFHVURJKSA-N 2 0 337.552 3.291 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099335502 1363756712 /nfs/dbraw/zinc/75/67/12/1363756712.db2.gz WWJQVHNWPCLBJK-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340302 1363760938 /nfs/dbraw/zinc/76/09/38/1363760938.db2.gz REPOZZFYHKWNRS-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099355250 1363769158 /nfs/dbraw/zinc/76/91/58/1363769158.db2.gz ZIBLJPUBHPUONE-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100335278 1364082842 /nfs/dbraw/zinc/08/28/42/1364082842.db2.gz RPDMAXWWOGAMET-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001100383298 1364097613 /nfs/dbraw/zinc/09/76/13/1364097613.db2.gz UREKSUOSIMWAAQ-OLFFVLKBSA-N 2 0 335.536 3.092 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100470813 1364126961 /nfs/dbraw/zinc/12/69/61/1364126961.db2.gz CCKZXNMVQRLYAH-CTWPCTMYSA-N 2 0 337.552 3.027 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537565 1364151537 /nfs/dbraw/zinc/15/15/37/1364151537.db2.gz ZSBWMMUBENZMBM-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001100637531 1364199360 /nfs/dbraw/zinc/19/93/60/1364199360.db2.gz WHOHLHCVOBPQPO-ZRZPHAQCSA-N 2 0 345.531 3.307 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001100756885 1364247901 /nfs/dbraw/zinc/24/79/01/1364247901.db2.gz SYAJCRXCKBSFDA-WAYWQWQTSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]CC(C)C)C1 ZINC001100858109 1364295487 /nfs/dbraw/zinc/29/54/87/1364295487.db2.gz GFAGESGTEMCQPM-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001100887542 1364313006 /nfs/dbraw/zinc/31/30/06/1364313006.db2.gz HOQOTBOIHKKBJL-UUKMXZOPSA-N 2 0 345.531 3.354 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101257576 1364488730 /nfs/dbraw/zinc/48/87/30/1364488730.db2.gz AYBAVUXVPWMJNH-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CCCC(C)(C)C)C[C@@]3(C)C2)CCC1 ZINC001101267672 1364491989 /nfs/dbraw/zinc/49/19/89/1364491989.db2.gz ONFWLCDKNXTAHU-XLIONFOSSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320616 1364508567 /nfs/dbraw/zinc/50/85/67/1364508567.db2.gz QJHJFQOBSKQIAX-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101441010 1364565385 /nfs/dbraw/zinc/56/53/85/1364565385.db2.gz GUVXCUTULFJZMP-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCc1ccc([C@H](CNC(=O)C[NH2+]C(C)(C)C)[NH+](CC)CC)cc1 ZINC001324593839 1387690997 /nfs/dbraw/zinc/69/09/97/1387690997.db2.gz MCXXMUUEYKCTDE-SFHVURJKSA-N 2 0 333.520 3.136 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001101583379 1364635447 /nfs/dbraw/zinc/63/54/47/1364635447.db2.gz UYISRZXNQNHDHZ-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001102466414 1365071074 /nfs/dbraw/zinc/07/10/74/1365071074.db2.gz NPHBIHRHEJMISY-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001103060549 1365359259 /nfs/dbraw/zinc/35/92/59/1365359259.db2.gz RWPCESVYGVVRQV-VJQBDMSCSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086409 1365373704 /nfs/dbraw/zinc/37/37/04/1365373704.db2.gz APJQDDDUHWBHFX-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090392 1365376302 /nfs/dbraw/zinc/37/63/02/1365376302.db2.gz UAUKAAAUSAIBHX-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001103140356 1365403731 /nfs/dbraw/zinc/40/37/31/1365403731.db2.gz ZZJBJVVJGDEDTG-MISYRCLQSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185527109 1387739532 /nfs/dbraw/zinc/73/95/32/1387739532.db2.gz PJOHVTHBHUXMOP-RJCMGOLDSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103147839 1365409460 /nfs/dbraw/zinc/40/94/60/1365409460.db2.gz CCZUQUUTBJIYAL-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185550183 1387745792 /nfs/dbraw/zinc/74/57/92/1387745792.db2.gz TZECZZDWUODHDN-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612736 1365675887 /nfs/dbraw/zinc/67/58/87/1365675887.db2.gz RUXPFOFOFNTSCE-FAPWYTRCSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103756871 1365766964 /nfs/dbraw/zinc/76/69/64/1365766964.db2.gz DUVGOETVXFFMCC-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103757047 1365767105 /nfs/dbraw/zinc/76/71/05/1365767105.db2.gz KEHRSJYRYYRJNN-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104421100 1366017381 /nfs/dbraw/zinc/01/73/81/1366017381.db2.gz BQKZCPVBTHEAFV-IAGOWNOFSA-N 2 0 342.487 3.068 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1)[NH+](CC)CC ZINC001104666630 1366124162 /nfs/dbraw/zinc/12/41/62/1366124162.db2.gz RXBOWPBJAQXUAU-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185742710 1387788515 /nfs/dbraw/zinc/78/85/15/1387788515.db2.gz VSHBPCMSJIZWDQ-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185743420 1387788596 /nfs/dbraw/zinc/78/85/96/1387788596.db2.gz ZSEHJUIDBQSGQO-FXAWDEMLSA-N 2 0 345.531 3.092 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058759 1366299357 /nfs/dbraw/zinc/29/93/57/1366299357.db2.gz WVNQWQFCYINHEO-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396712 1366445012 /nfs/dbraw/zinc/44/50/12/1366445012.db2.gz SXDIEQCBIBLKEF-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)[NH+](CC)CC)CCC1 ZINC001105561873 1366531610 /nfs/dbraw/zinc/53/16/10/1366531610.db2.gz TZLNXZQOPDHRSW-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105572284 1366538439 /nfs/dbraw/zinc/53/84/39/1366538439.db2.gz NKJZVXOWXHCFAI-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105575309 1366540418 /nfs/dbraw/zinc/54/04/18/1366540418.db2.gz YFKMKAXWZRVCKG-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249286 1366633627 /nfs/dbraw/zinc/63/36/27/1366633627.db2.gz FVNWESOMOQZSNV-AHSYYPKJSA-N 2 0 349.563 3.290 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249406 1366633843 /nfs/dbraw/zinc/63/38/43/1366633843.db2.gz GMVQWQSOUJFWMD-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001107068111 1366869483 /nfs/dbraw/zinc/86/94/83/1366869483.db2.gz QFRURPXXGWIQQB-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107412269 1366956477 /nfs/dbraw/zinc/95/64/77/1366956477.db2.gz QPDXHWCVFZBLNK-ANTGDGSKSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436859 1366962857 /nfs/dbraw/zinc/96/28/57/1366962857.db2.gz VCSKENKZLARGCH-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)[NH+](CC)CC ZINC001107544130 1367034910 /nfs/dbraw/zinc/03/49/10/1367034910.db2.gz NOTNIMMCRMRPQJ-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567753 1367048437 /nfs/dbraw/zinc/04/84/37/1367048437.db2.gz ITCKICILVMPPMQ-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614722 1367073992 /nfs/dbraw/zinc/07/39/92/1367073992.db2.gz KFGLHEKELYTNKP-KFHCLJRTSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107646881 1367092495 /nfs/dbraw/zinc/09/24/95/1367092495.db2.gz ZUUFSWVTRROUIV-YLJYHZDGSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001109419635 1367113036 /nfs/dbraw/zinc/11/30/36/1367113036.db2.gz YDGGLVHNKIOJRP-YRPNKDGESA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCC3=CCCCC3)C[C@H]21 ZINC001189913678 1367130044 /nfs/dbraw/zinc/13/00/44/1367130044.db2.gz VPCIEFFPAWVWQS-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190178909 1367192162 /nfs/dbraw/zinc/19/21/62/1367192162.db2.gz XLCDHNPSVRFUNH-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178138 1367192568 /nfs/dbraw/zinc/19/25/68/1367192568.db2.gz TXOKFQSUZHUSDT-QUCCMNQESA-N 2 0 347.547 3.140 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001186075450 1387860388 /nfs/dbraw/zinc/86/03/88/1387860388.db2.gz SNYGLRDDCKDHQH-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001186075225 1387860024 /nfs/dbraw/zinc/86/00/24/1387860024.db2.gz PPSGLGLOQXLNSJ-OBNUAKFSSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001109653814 1367265686 /nfs/dbraw/zinc/26/56/86/1367265686.db2.gz IGMSXYSYSTWCJI-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656844 1367319989 /nfs/dbraw/zinc/31/99/89/1367319989.db2.gz WXWBFZNFHLKVPL-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001190996472 1367398611 /nfs/dbraw/zinc/39/86/11/1367398611.db2.gz FTFBTGLCQSWVNS-HOTGVXAUSA-N 2 0 349.494 3.150 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001190997114 1367399141 /nfs/dbraw/zinc/39/91/41/1367399141.db2.gz QZSWHINDFPPEAD-AEFFLSMTSA-N 2 0 331.504 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001191020628 1367403754 /nfs/dbraw/zinc/40/37/54/1367403754.db2.gz ZCYWAWULHPOYNL-GOSISDBHSA-N 2 0 345.531 3.066 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162279 1367437008 /nfs/dbraw/zinc/43/70/08/1367437008.db2.gz NZNWOFRIQNTBDV-QGZVFWFLSA-N 2 0 328.460 3.061 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114883 1367507692 /nfs/dbraw/zinc/50/76/92/1367507692.db2.gz MBBBKIRAQVPFIX-RDGPPVDQSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543803 1367525493 /nfs/dbraw/zinc/52/54/93/1367525493.db2.gz SVPBYDXLJHNFGM-GHOSXJJBSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560854 1367528865 /nfs/dbraw/zinc/52/88/65/1367528865.db2.gz IMANFELHKSUKSD-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108687299 1367533246 /nfs/dbraw/zinc/53/32/46/1367533246.db2.gz CLOUDNOYGVHSML-FHWLQOOXSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161773 1367534900 /nfs/dbraw/zinc/53/49/00/1367534900.db2.gz SJJUBOYRRNPUOW-FUMNGEBKSA-N 2 0 349.563 3.265 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001108749722 1367573164 /nfs/dbraw/zinc/57/31/64/1367573164.db2.gz JHJWPWKBGRVIFN-SZMVWBNQSA-N 2 0 347.503 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC(C)C)C2)C1 ZINC001191921414 1367640039 /nfs/dbraw/zinc/64/00/39/1367640039.db2.gz CKHCYZIEYCEDBG-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191948153 1367646382 /nfs/dbraw/zinc/64/63/82/1367646382.db2.gz MDCGCTSZEBMSSE-RTBURBONSA-N 2 0 335.536 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001192317690 1367748117 /nfs/dbraw/zinc/74/81/17/1367748117.db2.gz ULZHHRHMQVPHEY-MOPGFXCFSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(C)c(F)c1 ZINC001192565174 1367818290 /nfs/dbraw/zinc/81/82/90/1367818290.db2.gz IKVUICYJYFTYFA-LJQANCHMSA-N 2 0 349.494 3.164 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566112 1367837394 /nfs/dbraw/zinc/83/73/94/1367837394.db2.gz ZJGBFPNDEXLWPN-AXTJNSDUSA-N 2 0 347.547 3.329 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192655614 1367843939 /nfs/dbraw/zinc/84/39/39/1367843939.db2.gz NAQOUPPLWBXXMN-MJGOQNOKSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192906525 1367901282 /nfs/dbraw/zinc/90/12/82/1367901282.db2.gz MJSFOQUJUFFVNU-LHUXKHBRSA-N 2 0 337.552 3.388 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001110738708 1367955229 /nfs/dbraw/zinc/95/52/29/1367955229.db2.gz PLKBOIWZYXYADE-KURKYZTESA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748684 1367959000 /nfs/dbraw/zinc/95/90/00/1367959000.db2.gz OEWRGJOXTOCCSD-OWYHZJEWSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765756 1367967947 /nfs/dbraw/zinc/96/79/47/1367967947.db2.gz OKEOPFJBPLBJOR-MKXGPGLRSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280756 1367989285 /nfs/dbraw/zinc/98/92/85/1367989285.db2.gz XPGBQKLAODASJX-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001193289938 1367990489 /nfs/dbraw/zinc/99/04/89/1367990489.db2.gz BZKBMFMIRQFHJV-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424910 1368027296 /nfs/dbraw/zinc/02/72/96/1368027296.db2.gz RDYDCGMVACXXDD-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C(=O)OC1CCCC1 ZINC001193549204 1368058972 /nfs/dbraw/zinc/05/89/72/1368058972.db2.gz FZZFNXXCRFZANV-UHFFFAOYSA-N 2 0 327.513 3.051 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558917 1368061176 /nfs/dbraw/zinc/06/11/76/1368061176.db2.gz FGLNQAIFCDXBKP-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571553 1368064090 /nfs/dbraw/zinc/06/40/90/1368064090.db2.gz TZJBECUZECLDJI-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001193600279 1368069506 /nfs/dbraw/zinc/06/95/06/1368069506.db2.gz BPQYTEAXQGXTBJ-ACBHZAAOSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959131 1368124747 /nfs/dbraw/zinc/12/47/47/1368124747.db2.gz FKKGVYWYDYQMRB-LFGUQSLTSA-N 2 0 343.515 3.119 20 0 EGADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(C(C)C)ccc1Cl ZINC001193868895 1368135350 /nfs/dbraw/zinc/13/53/50/1368135350.db2.gz NMLUDXCEMQCVBL-UHFFFAOYSA-N 2 0 338.883 3.141 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001110994329 1368137388 /nfs/dbraw/zinc/13/73/88/1368137388.db2.gz YSKWUNXKFUVIFP-ZJPYXAASSA-N 2 0 337.552 3.120 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111017882 1368144009 /nfs/dbraw/zinc/14/40/09/1368144009.db2.gz FPUSKJCIOCCAGH-MKXGPGLRSA-N 2 0 337.552 3.409 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C)C(C)C ZINC001111164016 1368174004 /nfs/dbraw/zinc/17/40/04/1368174004.db2.gz FANSBDUDUFFZRX-AKHDSKFASA-N 2 0 335.536 3.041 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194072191 1368178388 /nfs/dbraw/zinc/17/83/88/1368178388.db2.gz NWACILNWVFKSJF-HXUWFJFHSA-N 2 0 347.547 3.286 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081821 1368179756 /nfs/dbraw/zinc/17/97/56/1368179756.db2.gz XNCSESJTLMGRSY-HMECNJMJSA-N 2 0 335.536 3.142 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217349 1368195742 /nfs/dbraw/zinc/19/57/42/1368195742.db2.gz SYNHFVSRVNKDAD-BNLAEDIXSA-N 2 0 347.547 3.185 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227607 1368212691 /nfs/dbraw/zinc/21/26/91/1368212691.db2.gz LHUHCUDYUWWYPS-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274178 1368221614 /nfs/dbraw/zinc/22/16/14/1368221614.db2.gz DIIXCWIIPKGFMX-GLCUZYPYSA-N 2 0 349.563 3.386 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406965 1368254388 /nfs/dbraw/zinc/25/43/88/1368254388.db2.gz FEEKAXZCXUPODG-IAGOWNOFSA-N 2 0 349.519 3.314 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001111463468 1368312045 /nfs/dbraw/zinc/31/20/45/1368312045.db2.gz SHMWKZPXNWESBB-ZRNYENFQSA-N 2 0 347.547 3.019 20 0 EGADRP CN(CCC[N@H+](C)Cc1cc(Cl)ccc1Cl)CC[NH+](C)C ZINC001194882912 1368339892 /nfs/dbraw/zinc/33/98/92/1368339892.db2.gz LVXZXKAJKXPQCQ-UHFFFAOYSA-N 2 0 332.319 3.309 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)C(C)C ZINC001186427314 1387940904 /nfs/dbraw/zinc/94/09/04/1387940904.db2.gz CNOIFGOLYLVCLI-UXHICEINSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)C(C)C ZINC001186428605 1387940941 /nfs/dbraw/zinc/94/09/41/1387940941.db2.gz SGESLWUHCKSEPC-RTBURBONSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854545 1368507019 /nfs/dbraw/zinc/50/70/19/1368507019.db2.gz RAXPPHMPQGTCOY-CUWPLCDZSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2 ZINC001111950804 1368571594 /nfs/dbraw/zinc/57/15/94/1368571594.db2.gz BCZMLMBZDKRCAG-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111988765 1368593123 /nfs/dbraw/zinc/59/31/23/1368593123.db2.gz RYBQILOGZAKHCB-FPOVZHCZSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](CCCC(C)C)CC1)[NH+](CC)CC ZINC001197141957 1368753715 /nfs/dbraw/zinc/75/37/15/1368753715.db2.gz QQVHILKOELKDQG-SFHVURJKSA-N 2 0 325.541 3.077 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001112359724 1368790610 /nfs/dbraw/zinc/79/06/10/1368790610.db2.gz HFFAHCQJQYOWAH-HDAAZOAOSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112396851 1368822582 /nfs/dbraw/zinc/82/25/82/1368822582.db2.gz HDASSWPBESYXFZ-ZVDOUQERSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198242901 1368987353 /nfs/dbraw/zinc/98/73/53/1368987353.db2.gz ACALZLBSADZBHD-SNAWJCMRSA-N 2 0 335.536 3.143 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC001198364461 1369017307 /nfs/dbraw/zinc/01/73/07/1369017307.db2.gz VLRRDLQDVJBFIU-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001112855081 1369048421 /nfs/dbraw/zinc/04/84/21/1369048421.db2.gz JPBSYAJVNUTWFT-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](CCC)CC2)CC1 ZINC001186605216 1387984152 /nfs/dbraw/zinc/98/41/52/1387984152.db2.gz LVBUDBCSOAOLRZ-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[PH+](CCNC(=S)NCC[NH+]1CCCCC1)C(C)C ZINC001200445729 1369369812 /nfs/dbraw/zinc/36/98/12/1369369812.db2.gz VWOOPNXHBGDGMP-UHFFFAOYSA-N 2 0 331.510 3.235 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC001325559076 1388001673 /nfs/dbraw/zinc/00/16/73/1388001673.db2.gz XGFWCFAYSWPTDW-UHFFFAOYSA-N 2 0 344.499 3.210 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186732260 1388001769 /nfs/dbraw/zinc/00/17/69/1388001769.db2.gz SYPLUFRCQQEKTJ-LIXSYLKWSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001113438950 1369428803 /nfs/dbraw/zinc/42/88/03/1369428803.db2.gz QTGUSJKANFGEKP-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC001200838554 1369437206 /nfs/dbraw/zinc/43/72/06/1369437206.db2.gz UHOBWOCJWWEEHU-QIJUGHKUSA-N 2 0 341.543 3.361 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052607 1369472432 /nfs/dbraw/zinc/47/24/32/1369472432.db2.gz GQIGRSQMSOQCDA-VQIMIIECSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052605 1369472450 /nfs/dbraw/zinc/47/24/50/1369472450.db2.gz GQIGRSQMSOQCDA-QFBILLFUSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053063 1369473151 /nfs/dbraw/zinc/47/31/51/1369473151.db2.gz JXLOVHRFULETID-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201230444 1369499795 /nfs/dbraw/zinc/49/97/95/1369499795.db2.gz RHZGZZXIYSKGRI-UNQUKWGNSA-N 2 0 347.547 3.330 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001201230445 1369500207 /nfs/dbraw/zinc/50/02/07/1369500207.db2.gz RHZGZZXIYSKGRI-UVEXCMSLSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC(C)(C)C)O2)CC1 ZINC001201435683 1369545038 /nfs/dbraw/zinc/54/50/38/1369545038.db2.gz VMRPLODFBLEFHV-GUDVDZBRSA-N 2 0 338.536 3.013 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc4ncsc43)cc[nH+]2)CC1 ZINC001201665739 1369599649 /nfs/dbraw/zinc/59/96/49/1369599649.db2.gz HHPQNYCDWCHGGK-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP COc1cnc2c(cccc2Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201668296 1369601263 /nfs/dbraw/zinc/60/12/63/1369601263.db2.gz UTBRFAIAFRVPHS-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)c1ccccc1 ZINC001202225382 1369717721 /nfs/dbraw/zinc/71/77/21/1369717721.db2.gz VPXRZYBYFPSKFY-IBGZPJMESA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001202239033 1369720900 /nfs/dbraw/zinc/72/09/00/1369720900.db2.gz PHNBELFCUJLTJX-WDZFZDKYSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202763477 1369883429 /nfs/dbraw/zinc/88/34/29/1369883429.db2.gz FNGWVKMHGUAGOE-IBGZPJMESA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001202765664 1369883712 /nfs/dbraw/zinc/88/37/12/1369883712.db2.gz YZYZJCUGPWCVHL-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202872518 1369914115 /nfs/dbraw/zinc/91/41/15/1369914115.db2.gz HGBSIYUHDIFCEJ-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930203 1369929168 /nfs/dbraw/zinc/92/91/68/1369929168.db2.gz RWUDHDHIQKBPPP-QZTJIDSGSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001187004431 1388038526 /nfs/dbraw/zinc/03/85/26/1388038526.db2.gz OLECKWADFVWIBZ-CTNGQTDRSA-N 2 0 345.531 3.234 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2)C1CCC1 ZINC001203044577 1369965378 /nfs/dbraw/zinc/96/53/78/1369965378.db2.gz MTYNZYLWGUVTQO-RTBURBONSA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203104712 1369984702 /nfs/dbraw/zinc/98/47/02/1369984702.db2.gz TXMMQGLZHVSPOA-ROUUACIJSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001203133485 1369993355 /nfs/dbraw/zinc/99/33/55/1369993355.db2.gz SGXHATGOJDYKLN-ROUUACIJSA-N 2 0 340.471 3.011 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203231441 1370033868 /nfs/dbraw/zinc/03/38/68/1370033868.db2.gz SKHMJEJGPKCQMX-RTBURBONSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203252006 1370041797 /nfs/dbraw/zinc/04/17/97/1370041797.db2.gz YYKREWYCJBMMSZ-IAGOWNOFSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001203288631 1370063641 /nfs/dbraw/zinc/06/36/41/1370063641.db2.gz UPLOKHOILJQDDO-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828637 1370101028 /nfs/dbraw/zinc/10/10/28/1370101028.db2.gz HMXSTTZUUXJGOF-WCIQWLHISA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001203394244 1370109898 /nfs/dbraw/zinc/10/98/98/1370109898.db2.gz ZIBUDWHHLFWLOJ-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203407315 1370114839 /nfs/dbraw/zinc/11/48/39/1370114839.db2.gz JVSDHTLCRMGNBA-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425096 1370120010 /nfs/dbraw/zinc/12/00/10/1370120010.db2.gz AFTORDFMHIGOPN-IAGOWNOFSA-N 2 0 337.552 3.027 20 0 EGADRP COc1ccccc1CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203432318 1370123316 /nfs/dbraw/zinc/12/33/16/1370123316.db2.gz PGHVMJTWDXIMFW-PZJWPPBQSA-N 2 0 344.499 3.018 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@@H]([NH2+]CCC(C)(C)C)C23CCC3)CC1 ZINC001203462203 1370134725 /nfs/dbraw/zinc/13/47/25/1370134725.db2.gz LWNBFSGAWDTECX-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203507070 1370148357 /nfs/dbraw/zinc/14/83/57/1370148357.db2.gz NYXSBNOBIIYHGO-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC3CCCCC3)C[C@H]21 ZINC001114982645 1370190856 /nfs/dbraw/zinc/19/08/56/1370190856.db2.gz SJEFNBNKZXBUPE-KXTWHKPSSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203630287 1370192838 /nfs/dbraw/zinc/19/28/38/1370192838.db2.gz FRAOIFDYAWBCMG-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203652549 1370202253 /nfs/dbraw/zinc/20/22/53/1370202253.db2.gz VOFPNYZEOXSJHP-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770851 1370258254 /nfs/dbraw/zinc/25/82/54/1370258254.db2.gz JGUARXBQTZKVGM-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203773297 1370258754 /nfs/dbraw/zinc/25/87/54/1370258754.db2.gz VDMUYZRXWOVUJZ-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823186 1370278916 /nfs/dbraw/zinc/27/89/16/1370278916.db2.gz HXPCJIYLFJTJFR-MOPGFXCFSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203853609 1370289996 /nfs/dbraw/zinc/28/99/96/1370289996.db2.gz UWEAYDASJQDRCV-IRXDYDNUSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203853294 1370290235 /nfs/dbraw/zinc/29/02/35/1370290235.db2.gz PXKGUWKOYCERMC-HDICACEKSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001203890880 1370301625 /nfs/dbraw/zinc/30/16/25/1370301625.db2.gz NGOMFOARKKDPLI-NHCUHLMSSA-N 2 0 328.500 3.175 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203902663 1370307608 /nfs/dbraw/zinc/30/76/08/1370307608.db2.gz HPXRDCXDAPMFGU-VOFKWLDRSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203904372 1370308824 /nfs/dbraw/zinc/30/88/24/1370308824.db2.gz UDPPPLLJBSPPGN-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC001204075086 1370369149 /nfs/dbraw/zinc/36/91/49/1370369149.db2.gz YRJALGXBVCKWLI-UHFFFAOYSA-N 2 0 336.483 3.353 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1)C2 ZINC001204172092 1370398229 /nfs/dbraw/zinc/39/82/29/1370398229.db2.gz RUPGJWAEZUAKCG-SFTDATJTSA-N 2 0 328.500 3.175 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCCCC1 ZINC001115450883 1370459118 /nfs/dbraw/zinc/45/91/18/1370459118.db2.gz SBNQSDLGTCBXAN-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCCCC1 ZINC001115450982 1370459447 /nfs/dbraw/zinc/45/94/47/1370459447.db2.gz WJVCVYMKMKZFKO-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)Oc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001204455209 1370481001 /nfs/dbraw/zinc/48/10/01/1370481001.db2.gz RKFMZQDKPJZKHS-UHFFFAOYSA-N 2 0 335.536 3.179 20 0 EGADRP Cc1c(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC001204574130 1370519620 /nfs/dbraw/zinc/51/96/20/1370519620.db2.gz XEUNJELQAKBYIZ-UHFFFAOYSA-N 2 0 326.488 3.073 20 0 EGADRP Cc1nn(C)cc1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001204577147 1370521548 /nfs/dbraw/zinc/52/15/48/1370521548.db2.gz QXTVEGOSMKSHOH-LJQANCHMSA-N 2 0 342.487 3.198 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115534955 1370532499 /nfs/dbraw/zinc/53/24/99/1370532499.db2.gz DHJLDDGEZAGASA-GOSISDBHSA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001187231835 1388078092 /nfs/dbraw/zinc/07/80/92/1388078092.db2.gz RXTULIULVHJZPP-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543767 1370540523 /nfs/dbraw/zinc/54/05/23/1370540523.db2.gz ZQSGBEUHLYQIHS-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1OC ZINC001204735504 1370559146 /nfs/dbraw/zinc/55/91/46/1370559146.db2.gz WHFPHEDWVRJKRE-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP [NH3+]Cc1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001204748035 1370564498 /nfs/dbraw/zinc/56/44/98/1370564498.db2.gz DMKXOPNMSHMXIX-UHFFFAOYSA-N 2 0 349.400 3.486 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC3CCCC3)CCCCC2)CCC1 ZINC001115572023 1370574336 /nfs/dbraw/zinc/57/43/36/1370574336.db2.gz YMZVDBVOLJDCJO-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115572993 1370574796 /nfs/dbraw/zinc/57/47/96/1370574796.db2.gz CMSKWKWHCPRFCX-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582129 1370584326 /nfs/dbraw/zinc/58/43/26/1370584326.db2.gz LTWWVFZNMMQTMX-SFHVURJKSA-N 2 0 339.568 3.418 20 0 EGADRP O=C1CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H]2CCCC[C@H]12 ZINC001204847966 1370589572 /nfs/dbraw/zinc/58/95/72/1370589572.db2.gz ISXDRROPPDLVTH-RBUKOAKNSA-N 2 0 337.467 3.078 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCCC1 ZINC001115611427 1370610598 /nfs/dbraw/zinc/61/05/98/1370610598.db2.gz HWQGMJRHBSYKGX-LJQANCHMSA-N 2 0 349.563 3.482 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614484 1370612140 /nfs/dbraw/zinc/61/21/40/1370612140.db2.gz FYBKEMWZACIYEF-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001187276378 1388085094 /nfs/dbraw/zinc/08/50/94/1388085094.db2.gz HYIZFCRDAXRBKP-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1)[NH+]1CCCC1 ZINC001115661843 1370645406 /nfs/dbraw/zinc/64/54/06/1370645406.db2.gz QYAVDOURFOFEKK-FLIBITNWSA-N 2 0 341.927 3.022 20 0 EGADRP COc1cc(F)ccc1-c1cncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124543 1370657717 /nfs/dbraw/zinc/65/77/17/1370657717.db2.gz UPHHIENZUIUZJN-QGZVFWFLSA-N 2 0 329.419 3.210 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)CC1 ZINC001205247831 1370694770 /nfs/dbraw/zinc/69/47/70/1370694770.db2.gz JZEMFOGYVDUHST-HXUWFJFHSA-N 2 0 346.421 3.308 20 0 EGADRP COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205247189 1370694911 /nfs/dbraw/zinc/69/49/11/1370694911.db2.gz CRHCDLCGFZOAGX-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115729345 1370710981 /nfs/dbraw/zinc/71/09/81/1370710981.db2.gz BNCLBWFBGXIVES-GOSISDBHSA-N 2 0 343.515 3.080 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729461 1370711455 /nfs/dbraw/zinc/71/14/55/1370711455.db2.gz GSHDGXFTYKEOQA-WRFKIARRSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115729882 1370712050 /nfs/dbraw/zinc/71/20/50/1370712050.db2.gz WUMIVITZHNRCMN-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730432 1370713221 /nfs/dbraw/zinc/71/32/21/1370713221.db2.gz JPMLGIZHZBSEPI-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730940 1370713668 /nfs/dbraw/zinc/71/36/68/1370713668.db2.gz VJUMGDWBWLALOF-WMZOPIPTSA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730937 1370713828 /nfs/dbraw/zinc/71/38/28/1370713828.db2.gz VJUMGDWBWLALOF-AEFFLSMTSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760853 1370745414 /nfs/dbraw/zinc/74/54/14/1370745414.db2.gz VPAUPKSZPOQAAT-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001115778678 1370761585 /nfs/dbraw/zinc/76/15/85/1370761585.db2.gz LNYYNXOFEOANDU-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](CCc2ccccc2Br)CC1 ZINC001205537157 1370784572 /nfs/dbraw/zinc/78/45/72/1370784572.db2.gz DKKKBIMMFLFQEP-OAHLLOKOSA-N 2 0 329.257 3.145 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1OC ZINC001205559227 1370791054 /nfs/dbraw/zinc/79/10/54/1370791054.db2.gz PDLIQNCNCJDRFG-INIZCTEOSA-N 2 0 330.831 3.010 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570372 1370795388 /nfs/dbraw/zinc/79/53/88/1370795388.db2.gz JFMANBXOOJHYPN-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1C(F)(F)F ZINC001205570917 1370795589 /nfs/dbraw/zinc/79/55/89/1370795589.db2.gz PQJJHLLSWLKSAI-OAHLLOKOSA-N 2 0 334.357 3.367 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205626647 1370816520 /nfs/dbraw/zinc/81/65/20/1370816520.db2.gz HPIGYORUCSCNHG-WCQYABFASA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205636008 1370820980 /nfs/dbraw/zinc/82/09/80/1370820980.db2.gz BQOMPPZBFLJTRW-DGCLKSJQSA-N 2 0 332.366 3.098 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC[C@H]1C[NH3+] ZINC001205636878 1370821730 /nfs/dbraw/zinc/82/17/30/1370821730.db2.gz FUYSOYPPCHRHNE-XLIONFOSSA-N 2 0 339.483 3.467 20 0 EGADRP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1OCC1CC1 ZINC001205663339 1370834423 /nfs/dbraw/zinc/83/44/23/1370834423.db2.gz HWEDVGYOWNZZHL-NVXWUHKLSA-N 2 0 332.488 3.291 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001205727452 1370853760 /nfs/dbraw/zinc/85/37/60/1370853760.db2.gz BPSGWYKVMZAQDH-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001205734558 1370854814 /nfs/dbraw/zinc/85/48/14/1370854814.db2.gz FGKFMBLTRFEHKE-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCCCOCc2ccccc2)CCC1(F)F ZINC001205736232 1370855556 /nfs/dbraw/zinc/85/55/56/1370855556.db2.gz WULFEQLCKFTYNJ-KRWDZBQOSA-N 2 0 326.431 3.289 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001116208782 1370860528 /nfs/dbraw/zinc/86/05/28/1370860528.db2.gz HPWYRGNCGORQRP-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205781711 1370867873 /nfs/dbraw/zinc/86/78/73/1370867873.db2.gz XWKIIWLQIPKPTA-HNNXBMFYSA-N 2 0 340.414 3.058 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001116302737 1370882174 /nfs/dbraw/zinc/88/21/74/1370882174.db2.gz DZMIODJXSCMHCM-IRXDYDNUSA-N 2 0 327.472 3.266 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001326040195 1388103706 /nfs/dbraw/zinc/10/37/06/1388103706.db2.gz UXRWLOWEKUOVKU-MGPUTAFESA-N 2 0 337.467 3.083 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205902109 1370904801 /nfs/dbraw/zinc/90/48/01/1370904801.db2.gz IDACFCJHSPMMJF-APWZRJJASA-N 2 0 326.488 3.107 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001116437986 1370911453 /nfs/dbraw/zinc/91/14/53/1370911453.db2.gz WXPXFDWTPWBXTM-UHFFFAOYSA-N 2 0 336.549 3.215 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)c2c1 ZINC001205923214 1370912100 /nfs/dbraw/zinc/91/21/00/1370912100.db2.gz KZIBDZBIELWMCO-HUUCEWRRSA-N 2 0 328.456 3.416 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(F)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001205994412 1370933119 /nfs/dbraw/zinc/93/31/19/1370933119.db2.gz LMIJDURXCWBAJK-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OC3CCOCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003431 1370935681 /nfs/dbraw/zinc/93/56/81/1370935681.db2.gz HTTLIOLWUJCTQF-FUHWJXTLSA-N 2 0 332.488 3.051 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OC3CCOCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003432 1370935770 /nfs/dbraw/zinc/93/57/70/1370935770.db2.gz HTTLIOLWUJCTQF-SJLPKXTDSA-N 2 0 332.488 3.051 20 0 EGADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001206084715 1370957352 /nfs/dbraw/zinc/95/73/52/1370957352.db2.gz MJGIKXBEHPPRHN-KFWWJZLASA-N 2 0 334.451 3.064 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001206292893 1371013808 /nfs/dbraw/zinc/01/38/08/1371013808.db2.gz FKVVGFRUYFEKKG-RTWAWAEBSA-N 3 0 329.532 3.350 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CC1 ZINC001206317500 1371019826 /nfs/dbraw/zinc/01/98/26/1371019826.db2.gz GHAOEVKVYFFXBE-CQSZACIVSA-N 2 0 346.422 3.366 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1OCC1CC1 ZINC001206338313 1371026610 /nfs/dbraw/zinc/02/66/10/1371026610.db2.gz ZDEIBYTWODEZCX-FQEVSTJZSA-N 2 0 332.488 3.435 20 0 EGADRP CCOc1cc(Br)cc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC001206506511 1371077006 /nfs/dbraw/zinc/07/70/06/1371077006.db2.gz DMEGRAQALRRREK-UHFFFAOYSA-N 2 0 341.293 3.409 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001206542289 1371087180 /nfs/dbraw/zinc/08/71/80/1371087180.db2.gz XFKZDHKYBRTCTB-INIZCTEOSA-N 2 0 325.294 3.443 20 0 EGADRP C[C@]1(C[NH3+])CCCCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206541762 1371087791 /nfs/dbraw/zinc/08/77/91/1371087791.db2.gz JRWLRFCQHVEJIX-LEWJYISDSA-N 2 0 329.532 3.350 20 0 EGADRP CCOC(=O)Cc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206598739 1371104832 /nfs/dbraw/zinc/10/48/32/1371104832.db2.gz LYVDHCDWJUOJPV-IBGZPJMESA-N 2 0 332.488 3.145 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206679307 1371129867 /nfs/dbraw/zinc/12/98/67/1371129867.db2.gz CSAOVIROLFDOMR-WAYWQWQTSA-N 2 0 349.563 3.293 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CCCC1 ZINC001206745446 1371152108 /nfs/dbraw/zinc/15/21/08/1371152108.db2.gz YQZLNVCUMLEXQD-UHFFFAOYSA-N 3 0 329.532 3.101 20 0 EGADRP Oc1ccc(Br)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118243355 1371153099 /nfs/dbraw/zinc/15/30/99/1371153099.db2.gz RDTXUTABZKOQPZ-UHFFFAOYSA-N 2 0 339.277 3.120 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1OC(=O)C(C)C ZINC001206769714 1371159392 /nfs/dbraw/zinc/15/93/92/1371159392.db2.gz PRKFOKFWEOVMKU-DOTOQJQBSA-N 2 0 348.487 3.206 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2)[C@H](n2cncn2)C1 ZINC001118493247 1371189791 /nfs/dbraw/zinc/18/97/91/1371189791.db2.gz RKSLBEVVWWNTNP-ZAWLATJESA-N 2 0 331.508 3.004 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)[C@@H]1CCC[NH3+] ZINC001118506353 1371191129 /nfs/dbraw/zinc/19/11/29/1371191129.db2.gz NRKZXQVBJKLYPR-YLJYHZDGSA-N 2 0 343.515 3.262 20 0 EGADRP Fc1cncc(F)c1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001206857878 1371192306 /nfs/dbraw/zinc/19/23/06/1371192306.db2.gz AANBAVRDUBLJBR-UHFFFAOYSA-N 2 0 347.409 3.441 20 0 EGADRP Cc1cnc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001207074618 1371287077 /nfs/dbraw/zinc/28/70/77/1371287077.db2.gz CFFRYHLJVIZQKL-IBGZPJMESA-N 2 0 340.471 3.255 20 0 EGADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001119326648 1371312619 /nfs/dbraw/zinc/31/26/19/1371312619.db2.gz ABSHUSMKIQAXOL-RYUDHWBXSA-N 2 0 343.393 3.223 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291486 1371352378 /nfs/dbraw/zinc/35/23/78/1371352378.db2.gz PPHWPASMGSFCII-UHFFFAOYSA-N 3 0 329.532 3.172 20 0 EGADRP CCN(CC)[C@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290769 1371352697 /nfs/dbraw/zinc/35/26/97/1371352697.db2.gz CDRVDPQNLJAZEF-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP COC(=O)[C@]1(C)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292771 1371352855 /nfs/dbraw/zinc/35/28/55/1371352855.db2.gz ZJFVHVSGMJBPQC-OAQYLSRUSA-N 2 0 344.499 3.174 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH+]3CCC(N4CCC4)CC3)CC2)cc1 ZINC001207295452 1371353735 /nfs/dbraw/zinc/35/37/35/1371353735.db2.gz QYGPAIFKWXNXGN-UHFFFAOYSA-N 2 0 327.516 3.069 20 0 EGADRP CN(C1CC1)[C@@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293400 1371353909 /nfs/dbraw/zinc/35/39/09/1371353909.db2.gz IQYKHLXPOCHYFY-OAQYLSRUSA-N 2 0 327.516 3.067 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001207396984 1371384135 /nfs/dbraw/zinc/38/41/35/1371384135.db2.gz ZQZWEBJSKGXETM-HXUWFJFHSA-N 3 0 345.531 3.298 20 0 EGADRP Cn1cc(-c2ccc(C3CC[NH+](CC4CC[NH2+]CC4)CC3)cc2)cn1 ZINC001207443712 1371396493 /nfs/dbraw/zinc/39/64/93/1371396493.db2.gz YWSLPVFSLZWCMD-UHFFFAOYSA-N 2 0 338.499 3.266 20 0 EGADRP COc1ccc(CC[N@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)cc1 ZINC001207476158 1371406710 /nfs/dbraw/zinc/40/67/10/1371406710.db2.gz TYIGLRDYWFCGIK-KDURUIRLSA-N 2 0 340.467 3.285 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001207484467 1371409778 /nfs/dbraw/zinc/40/97/78/1371409778.db2.gz LPTXFTIGRHLDCA-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CCCSC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001119948682 1371430012 /nfs/dbraw/zinc/43/00/12/1371430012.db2.gz LIMLOEARMALWBM-MRXNPFEDSA-N 2 0 336.545 3.265 20 0 EGADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207626227 1371456988 /nfs/dbraw/zinc/45/69/88/1371456988.db2.gz BZCNBIHSXKLMGH-XIYVOTBMSA-N 2 0 330.516 3.021 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120016593 1371457266 /nfs/dbraw/zinc/45/72/66/1371457266.db2.gz UXPLHXQOFYTSJG-SNAWJCMRSA-N 2 0 347.547 3.237 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)c2c[nH+]ccc2N(C)C)CCCCC1 ZINC001120020378 1371457542 /nfs/dbraw/zinc/45/75/42/1371457542.db2.gz BWZUFTQLMQOWDE-INIZCTEOSA-N 2 0 346.519 3.216 20 0 EGADRP C[C@@H](CCCC(C)(C)O)CCN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001207678088 1371472211 /nfs/dbraw/zinc/47/22/11/1371472211.db2.gz DJYGWZNFWSIXIY-IBGZPJMESA-N 2 0 343.600 3.159 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCCC1 ZINC001120075366 1371479741 /nfs/dbraw/zinc/47/97/41/1371479741.db2.gz YNESMJHTJIJZCS-FQEVSTJZSA-N 2 0 349.563 3.461 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120140932 1371494000 /nfs/dbraw/zinc/49/40/00/1371494000.db2.gz PZGOOBRJISYVEI-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCCCC1 ZINC001120159048 1371496720 /nfs/dbraw/zinc/49/67/20/1371496720.db2.gz LCCLZFKCYCRVEG-UHFFFAOYSA-N 2 0 337.552 3.461 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120190142 1371502994 /nfs/dbraw/zinc/50/29/94/1371502994.db2.gz SQWMISNILKABFK-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001207918156 1371539367 /nfs/dbraw/zinc/53/93/67/1371539367.db2.gz KQOQKGVTWVIQTP-IBGZPJMESA-N 2 0 345.575 3.342 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207954332 1371550312 /nfs/dbraw/zinc/55/03/12/1371550312.db2.gz HICLKGNFHAVBCB-FQEVSTJZSA-N 2 0 343.515 3.327 20 0 EGADRP Cc1cc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)c2ccccc2[nH+]1 ZINC001207955076 1371550369 /nfs/dbraw/zinc/55/03/69/1371550369.db2.gz YBKVRFYFYSPGAQ-KRWDZBQOSA-N 2 0 325.456 3.234 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001207956566 1371550496 /nfs/dbraw/zinc/55/04/96/1371550496.db2.gz ANAZFHGBRXKWHB-BVOGOJNSSA-N 2 0 343.515 3.183 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001120421770 1371569838 /nfs/dbraw/zinc/56/98/38/1371569838.db2.gz CXBPEMORNBGGJY-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120440086 1371578853 /nfs/dbraw/zinc/57/88/53/1371578853.db2.gz KYIQBCXJNPCOTA-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)CC1(C)CC[NH+](C)CC1)C2 ZINC001208109771 1371597614 /nfs/dbraw/zinc/59/76/14/1371597614.db2.gz RBYRQOBIUQIEPC-MRXNPFEDSA-N 2 0 332.488 3.007 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208111334 1371598760 /nfs/dbraw/zinc/59/87/60/1371598760.db2.gz KGGYUZWKOVOOIT-SFTDATJTSA-N 3 0 341.543 3.172 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC(n3cnc4ccccc43)CC2)CC1 ZINC001208115752 1371599301 /nfs/dbraw/zinc/59/93/01/1371599301.db2.gz MNIMWQQEJGYXRI-UHFFFAOYSA-N 2 0 326.488 3.405 20 0 EGADRP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326310788 1388149608 /nfs/dbraw/zinc/14/96/08/1388149608.db2.gz JYNKGAKFSRXWST-OAHLLOKOSA-N 2 0 347.528 3.201 20 0 EGADRP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001208225551 1371664607 /nfs/dbraw/zinc/66/46/07/1371664607.db2.gz LTYMGZXMYGVSBS-OAHLLOKOSA-N 2 0 330.472 3.153 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208359751 1371734975 /nfs/dbraw/zinc/73/49/75/1371734975.db2.gz ZYGYOKMUSVVCFS-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448225 1371769775 /nfs/dbraw/zinc/76/97/75/1371769775.db2.gz XNKYEUXVTLHYSQ-LZQZEXGQSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001208453309 1371771511 /nfs/dbraw/zinc/77/15/11/1371771511.db2.gz DOHIQTHQNCMTCJ-ROUUACIJSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460212 1371775661 /nfs/dbraw/zinc/77/56/61/1371775661.db2.gz QFLUYBWYKQMBRR-DLBZAZTESA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471737 1371780504 /nfs/dbraw/zinc/78/05/04/1371780504.db2.gz YOSQAGRXPOBWLX-KRWDZBQOSA-N 2 0 342.487 3.417 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475181 1371781967 /nfs/dbraw/zinc/78/19/67/1371781967.db2.gz SFDNCVBFKXLSQY-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC001208589808 1371830507 /nfs/dbraw/zinc/83/05/07/1371830507.db2.gz YWXJRVTYQBEFSO-RTWAWAEBSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)CC1 ZINC001208598934 1371834811 /nfs/dbraw/zinc/83/48/11/1371834811.db2.gz BGRQZOMOTBNING-FQEVSTJZSA-N 2 0 332.488 3.270 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208627280 1371846238 /nfs/dbraw/zinc/84/62/38/1371846238.db2.gz YHJDCFRLOZXMRW-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001121117099 1371857141 /nfs/dbraw/zinc/85/71/41/1371857141.db2.gz DVNNXDIQODWYDE-RBUNFDSBSA-N 2 0 347.547 3.068 20 0 EGADRP C[N@H+](CC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2)C1CCC1 ZINC001121245902 1371906286 /nfs/dbraw/zinc/90/62/86/1371906286.db2.gz IGIRDXGZAMANML-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261034 1371912823 /nfs/dbraw/zinc/91/28/23/1371912823.db2.gz MMXYYEHLBIATSH-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001121288321 1371923284 /nfs/dbraw/zinc/92/32/84/1371923284.db2.gz CFNXMXVIACHLHU-JSMKSKOISA-N 2 0 347.547 3.211 20 0 EGADRP c1ccc(N2CCC(C[NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001208908663 1371940611 /nfs/dbraw/zinc/94/06/11/1371940611.db2.gz XTNBGJBTFJBGSR-UHFFFAOYSA-N 2 0 336.483 3.120 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001121360839 1371948489 /nfs/dbraw/zinc/94/84/89/1371948489.db2.gz AFRDXALYVYAOQR-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208936213 1371951741 /nfs/dbraw/zinc/95/17/41/1371951741.db2.gz MRAYKRNZPPPXLR-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP Cc1noc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208940474 1371953796 /nfs/dbraw/zinc/95/37/96/1371953796.db2.gz RZYBYPXKXQQCOY-RTBURBONSA-N 2 0 340.471 3.080 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948175 1371958925 /nfs/dbraw/zinc/95/89/25/1371958925.db2.gz FLNGYEKXPCIKAE-PZJWPPBQSA-N 2 0 337.467 3.057 20 0 EGADRP C[N@@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001208945831 1371958994 /nfs/dbraw/zinc/95/89/94/1371958994.db2.gz DUSRJGQLDJFUKE-GMAHTHKFSA-N 2 0 349.522 3.497 20 0 EGADRP CO[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953297 1371961181 /nfs/dbraw/zinc/96/11/81/1371961181.db2.gz ZWPQPBQULSJTKC-MXEMCNAFSA-N 2 0 328.500 3.255 20 0 EGADRP C[NH+]1CCC(COc2c(F)cccc2NC2=CC[N@H+](C)CC2)CC1 ZINC001208978585 1371967053 /nfs/dbraw/zinc/96/70/53/1371967053.db2.gz DQRAPEAHLZVWBP-UHFFFAOYSA-N 2 0 333.451 3.178 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209133481 1372010166 /nfs/dbraw/zinc/01/01/66/1372010166.db2.gz FDOFBKFBKZSKNN-VMASUYHGSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001209141307 1372012236 /nfs/dbraw/zinc/01/22/36/1372012236.db2.gz NSRLLRSEWSBTLP-UHFFFAOYSA-N 2 0 341.540 3.440 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCC(C)C)C2)C1 ZINC001209204759 1372037938 /nfs/dbraw/zinc/03/79/38/1372037938.db2.gz LISRHEZJWFQVJS-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001121763291 1372073404 /nfs/dbraw/zinc/07/34/04/1372073404.db2.gz ZGMRTUQBZWKNHN-YYIRHMBSSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2)[NH+](C)C ZINC001121798938 1372084923 /nfs/dbraw/zinc/08/49/23/1372084923.db2.gz UXTSMFBNAXVKBJ-AUDKGVNFSA-N 2 0 337.552 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001326404141 1388178328 /nfs/dbraw/zinc/17/83/28/1388178328.db2.gz PBVKHBJMTDDTKV-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001209418078 1372100720 /nfs/dbraw/zinc/10/07/20/1372100720.db2.gz YADCTCCLUKKFKN-ZACQAIPSSA-N 2 0 334.529 3.459 20 0 EGADRP O=C1C[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)CN1c1ccsc1 ZINC001209451231 1372109575 /nfs/dbraw/zinc/10/95/75/1372109575.db2.gz VIDGGMZIHKFLRC-LJQANCHMSA-N 2 0 347.528 3.053 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC001209451904 1372109690 /nfs/dbraw/zinc/10/96/90/1372109690.db2.gz VYXGGOCTASKFIN-VXKWHMMOSA-N 2 0 341.543 3.235 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(CC[NH3+])cc1)c1ccsc1 ZINC001121904336 1372118785 /nfs/dbraw/zinc/11/87/85/1372118785.db2.gz YNKPRLCCOUFATD-GOSISDBHSA-N 2 0 345.512 3.062 20 0 EGADRP Cn1nc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC001209582246 1372142219 /nfs/dbraw/zinc/14/22/19/1372142219.db2.gz VESBTRXRUWPODK-UHFFFAOYSA-N 2 0 326.488 3.127 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+](CC)CC ZINC001209613612 1372150637 /nfs/dbraw/zinc/15/06/37/1372150637.db2.gz KFRMFMRVDGKOHK-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001209614721 1372151416 /nfs/dbraw/zinc/15/14/16/1372151416.db2.gz PZRKUOFNNPRKDG-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209614446 1372151719 /nfs/dbraw/zinc/15/17/19/1372151719.db2.gz OZVRGELEXJLCEA-ZWKOTPCHSA-N 2 0 325.541 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C)C1)[NH+](CC)CC ZINC001209615997 1372152457 /nfs/dbraw/zinc/15/24/57/1372152457.db2.gz XZZHTZIUCXAUSI-WOJBJXKFSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2)c1ccccc1 ZINC001122056778 1372164559 /nfs/dbraw/zinc/16/45/59/1372164559.db2.gz RMEKAZKAWGGEKZ-FCOWATRHSA-N 2 0 343.515 3.105 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122248433 1372211739 /nfs/dbraw/zinc/21/17/39/1372211739.db2.gz HDRSZGCKRXVRJH-MBEFBZSESA-N 2 0 349.563 3.170 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001209939723 1372237640 /nfs/dbraw/zinc/23/76/40/1372237640.db2.gz GQCYEJCPBBRBOM-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210041143 1372261619 /nfs/dbraw/zinc/26/16/19/1372261619.db2.gz QEPQKZSLCWDOAR-ATZDWAIDSA-N 2 0 349.494 3.055 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210178882 1372289401 /nfs/dbraw/zinc/28/94/01/1372289401.db2.gz DQBUATLGKBTRRE-CNQOUZKXSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001210183258 1372289653 /nfs/dbraw/zinc/28/96/53/1372289653.db2.gz MLLCYTVDIMUIHY-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001210183727 1372290594 /nfs/dbraw/zinc/29/05/94/1372290594.db2.gz RGYOZSYPIZETDK-SFHVURJKSA-N 2 0 343.531 3.219 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190601 1372291284 /nfs/dbraw/zinc/29/12/84/1372291284.db2.gz WSXAOMJUYQIXSB-COQIJWMOSA-N 2 0 337.552 3.290 20 0 EGADRP Clc1nccc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cccc12 ZINC001210267107 1372310088 /nfs/dbraw/zinc/31/00/88/1372310088.db2.gz URJPFJYDEGBQFG-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP c1cncc(-c2cccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)c2)c1 ZINC001210265998 1372310244 /nfs/dbraw/zinc/31/02/44/1372310244.db2.gz FHJRHFCJPBQLRU-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP CCCc1nc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2o1 ZINC001210269580 1372311207 /nfs/dbraw/zinc/31/12/07/1372311207.db2.gz XFBGLAOMXKNPOA-UHFFFAOYSA-N 2 0 337.427 3.329 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426196 1372350512 /nfs/dbraw/zinc/35/05/12/1372350512.db2.gz CARCHVFCPICGNH-IEBWSBKVSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001210635530 1372397642 /nfs/dbraw/zinc/39/76/42/1372397642.db2.gz ZDPJRNLQQAJAIV-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210691429 1372408879 /nfs/dbraw/zinc/40/88/79/1372408879.db2.gz YUBCGOIPXBBSDM-TUYSUELWSA-N 2 0 344.503 3.088 20 0 EGADRP C[NH+]1CCN(c2cccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)c2)CC1 ZINC001210713828 1372412598 /nfs/dbraw/zinc/41/25/98/1372412598.db2.gz HBFNHRVQJPMBHL-FQEVSTJZSA-N 2 0 340.515 3.383 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210743749 1372417606 /nfs/dbraw/zinc/41/76/06/1372417606.db2.gz KNQSPTAUSBOWEJ-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001210788366 1372426736 /nfs/dbraw/zinc/42/67/36/1372426736.db2.gz CDKOMLSTURMJJK-CTWPCTMYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001210796749 1372427844 /nfs/dbraw/zinc/42/78/44/1372427844.db2.gz JIPVYKPSGJHUEB-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001210811433 1372431278 /nfs/dbraw/zinc/43/12/78/1372431278.db2.gz NXKCRMPOJIFNDG-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001211239697 1372509527 /nfs/dbraw/zinc/50/95/27/1372509527.db2.gz CMAKCIJTDZMDIU-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240585 1372509530 /nfs/dbraw/zinc/50/95/30/1372509530.db2.gz NHQZOOHLCDAPAM-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001211249062 1372511978 /nfs/dbraw/zinc/51/19/78/1372511978.db2.gz LEOPUTFSTDVTFL-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001211286477 1372521141 /nfs/dbraw/zinc/52/11/41/1372521141.db2.gz UWDHTMMTJHDZNV-RBUKOAKNSA-N 2 0 349.494 3.198 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366852 1372541512 /nfs/dbraw/zinc/54/15/12/1372541512.db2.gz LZQQMSXHZLHYKF-VJQBDMSCSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001326490091 1388214254 /nfs/dbraw/zinc/21/42/54/1388214254.db2.gz NDMAITRSRDNPHO-KRWDZBQOSA-N 2 0 331.504 3.238 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccnc(Cl)c2Cl)CC1 ZINC001212237942 1372676190 /nfs/dbraw/zinc/67/61/90/1372676190.db2.gz JJZLALPPKIIBDS-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001326541691 1388234179 /nfs/dbraw/zinc/23/41/79/1388234179.db2.gz KCNRAXAUWYNJTO-FHWLQOOXSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)c1 ZINC001188086052 1388239552 /nfs/dbraw/zinc/23/95/52/1388239552.db2.gz XCGYOFRJBYLJFK-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001188106546 1388243105 /nfs/dbraw/zinc/24/31/05/1388243105.db2.gz METDJRJYOVHTGI-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855224 1373130097 /nfs/dbraw/zinc/13/00/97/1373130097.db2.gz AJTKDEOXCJGJSP-AHRSYUTCSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001214990441 1373152924 /nfs/dbraw/zinc/15/29/24/1373152924.db2.gz PNFOKARJADKOFW-IIDMSEBBSA-N 2 0 349.494 3.054 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215069092 1373164528 /nfs/dbraw/zinc/16/45/28/1373164528.db2.gz AJZMGELPRLREKW-FOSBAXRVSA-N 2 0 340.471 3.131 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001215234225 1373189628 /nfs/dbraw/zinc/18/96/28/1373189628.db2.gz KIMCJNXJVKMOHE-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001215234188 1373189871 /nfs/dbraw/zinc/18/98/71/1373189871.db2.gz IDTTZECHRBRZRL-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188139334 1388247848 /nfs/dbraw/zinc/24/78/48/1388247848.db2.gz MAJOZBQRYBOEON-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773843 1373236402 /nfs/dbraw/zinc/23/64/02/1373236402.db2.gz ACPLTXANZAKSRY-CEXWTWQISA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1ccc(Nc2cc[nH+]c(NC)c2)cc1 ZINC001216335093 1373301685 /nfs/dbraw/zinc/30/16/85/1373301685.db2.gz JTCVSSVWXUTKJR-UHFFFAOYSA-N 2 0 342.443 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001128774585 1373310408 /nfs/dbraw/zinc/31/04/08/1373310408.db2.gz UPFHVNCEFZNDPZ-LJQANCHMSA-N 2 0 345.531 3.064 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001129422428 1373382625 /nfs/dbraw/zinc/38/26/25/1373382625.db2.gz IKKOMFVRUIMGOZ-RBUKOAKNSA-N 2 0 331.504 3.106 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001129840004 1373427894 /nfs/dbraw/zinc/42/78/94/1373427894.db2.gz DFUACGORBAONSO-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205441 1388264071 /nfs/dbraw/zinc/26/40/71/1388264071.db2.gz LXOORDNYIDBJAX-PTWHKANQSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001130299770 1373487844 /nfs/dbraw/zinc/48/78/44/1373487844.db2.gz CKGCPNAGNNYNFW-QFBILLFUSA-N 2 0 331.504 3.061 20 0 EGADRP C[C@@H]1C[NH2+]C[C@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217787027 1373500236 /nfs/dbraw/zinc/50/02/36/1373500236.db2.gz AHPFYJPTEGMGDM-YLJYHZDGSA-N 2 0 332.488 3.066 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CO[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001217813757 1373503951 /nfs/dbraw/zinc/50/39/51/1373503951.db2.gz NOIHZFXNUZGQPN-JSXRDJHFSA-N 2 0 328.500 3.303 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001130622751 1373571738 /nfs/dbraw/zinc/57/17/38/1373571738.db2.gz YYHDLQJNLWCODX-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001130711449 1373583314 /nfs/dbraw/zinc/58/33/14/1373583314.db2.gz VPLBEKBUBDSFMQ-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@]1(c2cccc(OC[C@@H]3C[NH2+]CCCO3)c2)CCCC[N@H+](C)C1 ZINC001218301180 1373590941 /nfs/dbraw/zinc/59/09/41/1373590941.db2.gz ZAYFGOXDUIHNGU-LEWJYISDSA-N 2 0 346.515 3.207 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001130808456 1373593539 /nfs/dbraw/zinc/59/35/39/1373593539.db2.gz BUVSTRCPXYCYDN-KRWDZBQOSA-N 2 0 343.515 3.205 20 0 EGADRP c1cnc2c(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218444229 1373613389 /nfs/dbraw/zinc/61/33/89/1373613389.db2.gz IOSXVYOTCAITHR-FPDPHYFHSA-N 2 0 337.467 3.350 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)[C@@]3(C)CC(C)(C)C[NH2+]3)cc2)CC1 ZINC001218823549 1373657896 /nfs/dbraw/zinc/65/78/96/1373657896.db2.gz IXUKUEFVTOMAKQ-HXUWFJFHSA-N 2 0 329.488 3.213 20 0 EGADRP CCCCCCOc1ccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001218853546 1373661382 /nfs/dbraw/zinc/66/13/82/1373661382.db2.gz YBWPPRXGIXOSSR-INIZCTEOSA-N 2 0 335.492 3.431 20 0 EGADRP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001218896866 1373665243 /nfs/dbraw/zinc/66/52/43/1373665243.db2.gz BGVYHHXAEMJOFA-OAHLLOKOSA-N 2 0 329.488 3.031 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001218939005 1373668303 /nfs/dbraw/zinc/66/83/03/1373668303.db2.gz ZPCPHBYMUYTYHC-LEWJYISDSA-N 2 0 349.478 3.197 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@H]3C[C@@H](c4ccccc4)CC[NH2+]3)cc2)CCC1 ZINC001218973257 1373672630 /nfs/dbraw/zinc/67/26/30/1373672630.db2.gz YBSIHDUOHQLGAQ-FXAWDEMLSA-N 2 0 349.478 3.499 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)c1cccc(Cl)c1 ZINC001131370679 1373685564 /nfs/dbraw/zinc/68/55/64/1373685564.db2.gz QYHPEJNEIVHCQB-CYBMUJFWSA-N 2 0 342.830 3.068 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1Cl ZINC001131374466 1373686190 /nfs/dbraw/zinc/68/61/90/1373686190.db2.gz BCRBBARQELMPQL-ZDUSSCGKSA-N 2 0 342.830 3.068 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)cc1 ZINC001219345304 1373701599 /nfs/dbraw/zinc/70/15/99/1373701599.db2.gz HWURTVXTUHCETP-NRFANRHFSA-N 2 0 345.446 3.243 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848187 1373797992 /nfs/dbraw/zinc/79/79/92/1373797992.db2.gz DBTRSLZIMCIAEJ-HPFJUIBNSA-N 2 0 347.547 3.138 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001221962397 1373809192 /nfs/dbraw/zinc/80/91/92/1373809192.db2.gz BBUWJCAKYWOLAR-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP c1cc2c(cc1C[N@@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C[NH2+]CC2 ZINC001222173553 1373819362 /nfs/dbraw/zinc/81/93/62/1373819362.db2.gz UZKRFZKWGZGUTA-NRFANRHFSA-N 3 0 327.516 3.078 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(CN3CCC[C@]34CCC[NH2+]C4)cc21 ZINC001222259776 1373822155 /nfs/dbraw/zinc/82/21/55/1373822155.db2.gz YZSQDHLGIAHRAR-NRFANRHFSA-N 2 0 325.500 3.406 20 0 EGADRP c1ccc(C2(C[N@@H+]3CCOCC4(CC[NH2+]CC4)C3)CCCC2)cc1 ZINC001222400913 1373838956 /nfs/dbraw/zinc/83/89/56/1373838956.db2.gz NFRKQKJDSRZHGO-UHFFFAOYSA-N 2 0 328.500 3.200 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562089 1388331428 /nfs/dbraw/zinc/33/14/28/1388331428.db2.gz NEBNKWBVUHSWJH-QFBILLFUSA-N 2 0 340.471 3.061 20 0 EGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCCCC[NH2+]1 ZINC001326906863 1388345595 /nfs/dbraw/zinc/34/55/95/1388345595.db2.gz OGQCDUPHPYAWHL-GOSISDBHSA-N 2 0 347.528 3.345 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223954766 1375048560 /nfs/dbraw/zinc/04/85/60/1375048560.db2.gz CEJWUTBTKMOGHC-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](C/C=C/Cl)CC1 ZINC001224884393 1375081994 /nfs/dbraw/zinc/08/19/94/1375081994.db2.gz QXRTYZCSJLMQAE-JXMROGBWSA-N 2 0 343.943 3.079 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001224884133 1375082211 /nfs/dbraw/zinc/08/22/11/1375082211.db2.gz OTMULLWJBBYPDD-SFHVURJKSA-N 2 0 339.568 3.373 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225542084 1375122355 /nfs/dbraw/zinc/12/23/55/1375122355.db2.gz HHSPCGCEFCUGMI-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557984 1375124601 /nfs/dbraw/zinc/12/46/01/1375124601.db2.gz XUFHYQWUPCGTOZ-SNAWJCMRSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CC1CCC1 ZINC001132141596 1375167755 /nfs/dbraw/zinc/16/77/55/1375167755.db2.gz SKEHNWZYJJDHTI-SJLPKXTDSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132152337 1375171733 /nfs/dbraw/zinc/17/17/33/1375171733.db2.gz ADCJWMCKGXOFJE-FUHWJXTLSA-N 2 0 342.487 3.353 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132154060 1375174200 /nfs/dbraw/zinc/17/42/00/1375174200.db2.gz WONXLYPNCPXWMZ-HKUYNNGSSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132203379 1375206845 /nfs/dbraw/zinc/20/68/45/1375206845.db2.gz PHDWPBACOYUPKP-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001226170215 1375214523 /nfs/dbraw/zinc/21/45/23/1375214523.db2.gz DLMUHRDZNDXTIT-GUDVDZBRSA-N 2 0 337.552 3.457 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC1CCC2(CC2)CC1 ZINC001132270955 1375258474 /nfs/dbraw/zinc/25/84/74/1375258474.db2.gz XXCXCBXKQCTLHZ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CC1=CCCCC1 ZINC001132311314 1375290564 /nfs/dbraw/zinc/29/05/64/1375290564.db2.gz SRILVZUORMDGBA-MJGOQNOKSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC001132368022 1375332172 /nfs/dbraw/zinc/33/21/72/1375332172.db2.gz HXTFAGFMRMARGI-CQOFWLJFSA-N 2 0 343.515 3.011 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC001132368023 1375333013 /nfs/dbraw/zinc/33/30/13/1375333013.db2.gz HXTFAGFMRMARGI-GBOJCQPWSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132409672 1375358693 /nfs/dbraw/zinc/35/86/93/1375358693.db2.gz COZBIGOKSDVCMQ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCC2)C1 ZINC001132436788 1375381791 /nfs/dbraw/zinc/38/17/91/1375381791.db2.gz OHUWIUYYKSPYIK-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(CC)cc2)C1 ZINC001132440773 1375384368 /nfs/dbraw/zinc/38/43/68/1375384368.db2.gz FPPIMIILDDWHLA-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132441201 1375385348 /nfs/dbraw/zinc/38/53/48/1375385348.db2.gz LZTLEHXWYJDRTJ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132441267 1375385722 /nfs/dbraw/zinc/38/57/22/1375385722.db2.gz MSMOSLKWXBPJJW-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227090917 1375388661 /nfs/dbraw/zinc/38/86/61/1375388661.db2.gz IDIJUIBXSOWECT-UWCDRFHNSA-N 2 0 335.536 3.234 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001227150640 1375397442 /nfs/dbraw/zinc/39/74/42/1375397442.db2.gz XAACDEFRPXLRTM-QZTJIDSGSA-N 2 0 349.494 3.073 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001227218732 1375407667 /nfs/dbraw/zinc/40/76/67/1375407667.db2.gz ZSKSNUFSLGHAHB-QZTJIDSGSA-N 2 0 328.460 3.073 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132492116 1375423256 /nfs/dbraw/zinc/42/32/56/1375423256.db2.gz CKVSQKYAMOPWPC-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524498 1375440417 /nfs/dbraw/zinc/44/04/17/1375440417.db2.gz HYFXZRPIEWBFSV-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001132524439 1375440846 /nfs/dbraw/zinc/44/08/46/1375440846.db2.gz GZDNCHVNDVJCRG-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227791732 1375475140 /nfs/dbraw/zinc/47/51/40/1375475140.db2.gz GBUGHBGNVOTHTM-YADGQWAMSA-N 2 0 347.547 3.330 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001227875811 1375484622 /nfs/dbraw/zinc/48/46/22/1375484622.db2.gz ABAXGDLYGVCDPN-FQEVSTJZSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001132738268 1375538463 /nfs/dbraw/zinc/53/84/63/1375538463.db2.gz XWEIHIVTGIGUQG-GOSISDBHSA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001132738886 1375539238 /nfs/dbraw/zinc/53/92/38/1375539238.db2.gz KHJJTPOCBGHKSV-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001228595349 1375608191 /nfs/dbraw/zinc/60/81/91/1375608191.db2.gz VIAMGJVGIAMTTM-QXAKKESOSA-N 2 0 335.536 3.068 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001228594529 1375609160 /nfs/dbraw/zinc/60/91/60/1375609160.db2.gz MHHXQALFLBRCED-VLPTVUGRSA-N 2 0 335.536 3.234 20 0 EGADRP C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCC1CCCC1 ZINC001132887207 1375625699 /nfs/dbraw/zinc/62/56/99/1375625699.db2.gz CUFVKUMMPGHBEN-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001228646488 1375626116 /nfs/dbraw/zinc/62/61/16/1375626116.db2.gz GGCBSDQJVLCMAR-AQNXPRMDSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001228661437 1375631154 /nfs/dbraw/zinc/63/11/54/1375631154.db2.gz UBOZBLVEHIPMGU-ZACQAIPSSA-N 2 0 325.541 3.170 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132938621 1375657382 /nfs/dbraw/zinc/65/73/82/1375657382.db2.gz WODKGNKVJQGUIB-FUHWJXTLSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941210 1375660754 /nfs/dbraw/zinc/66/07/54/1375660754.db2.gz HZCQAIYHJSGSIV-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132956171 1375672048 /nfs/dbraw/zinc/67/20/48/1375672048.db2.gz ZMDSXGPXFPRZHJ-FUHWJXTLSA-N 2 0 342.487 3.068 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001327129021 1388393152 /nfs/dbraw/zinc/39/31/52/1388393152.db2.gz FJOCODNKKUHHTF-UXHICEINSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C(C)C ZINC001228869624 1375699634 /nfs/dbraw/zinc/69/96/34/1375699634.db2.gz VAGLIJQDVLSICM-IAGOWNOFSA-N 2 0 334.508 3.070 20 0 EGADRP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012697 1375711313 /nfs/dbraw/zinc/71/13/13/1375711313.db2.gz UNGSBXVUKGOEAA-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C[NH+]2CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC2)c1 ZINC001229200664 1375785922 /nfs/dbraw/zinc/78/59/22/1375785922.db2.gz SPMYISBWBANQCI-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001229616155 1375864949 /nfs/dbraw/zinc/86/49/49/1375864949.db2.gz YUJKWVBQZJZFRU-QRVBRYPASA-N 2 0 337.552 3.458 20 0 EGADRP Cc1nccn1CCCC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001229616387 1375865454 /nfs/dbraw/zinc/86/54/54/1375865454.db2.gz JTCIVRSQGVBTCS-UHFFFAOYSA-N 2 0 346.519 3.133 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C)c1ccccc1 ZINC001229652950 1375872373 /nfs/dbraw/zinc/87/23/73/1375872373.db2.gz UFBZFHIOZWYQOY-QRVBRYPASA-N 2 0 331.504 3.105 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)C(C)C ZINC001229655493 1375873094 /nfs/dbraw/zinc/87/30/94/1375873094.db2.gz JQBZFGYCBKZZHW-GOSISDBHSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229664216 1375874191 /nfs/dbraw/zinc/87/41/91/1375874191.db2.gz KFNCASZSLQSQSO-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133274860 1375889727 /nfs/dbraw/zinc/88/97/27/1375889727.db2.gz NJBNIEGKZSOUOC-FAPWYTRCSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC001229852043 1375904597 /nfs/dbraw/zinc/90/45/97/1375904597.db2.gz CSLJMDFWUYZASI-RTBURBONSA-N 2 0 349.494 3.075 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133336567 1375929805 /nfs/dbraw/zinc/92/98/05/1375929805.db2.gz CITBQRMIVHHIAS-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133336564 1375930003 /nfs/dbraw/zinc/93/00/03/1375930003.db2.gz CITBQRMIVHHIAS-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001133338783 1375931007 /nfs/dbraw/zinc/93/10/07/1375931007.db2.gz YWLWEGKEJSEXGE-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001133360774 1375944206 /nfs/dbraw/zinc/94/42/06/1375944206.db2.gz OGTMARIJIIQISB-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377907 1376010015 /nfs/dbraw/zinc/01/00/15/1376010015.db2.gz COSHXJQRWRVOCA-VOFKWLDRSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592033 1376089550 /nfs/dbraw/zinc/08/95/50/1376089550.db2.gz QCJNWGAPPFMTTK-RRFGBZISSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1Cl)[NH+](CC)CC ZINC001133690752 1376157267 /nfs/dbraw/zinc/15/72/67/1376157267.db2.gz VKIBCVLUWATKON-YOEHRIQHSA-N 2 0 339.911 3.227 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1)[NH+](CC)CC ZINC001133689930 1376157660 /nfs/dbraw/zinc/15/76/60/1376157660.db2.gz FILCGDVJQOMOBV-ZWKOTPCHSA-N 2 0 337.483 3.103 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)[NH+](CC)CC ZINC001133689764 1376157805 /nfs/dbraw/zinc/15/78/05/1376157805.db2.gz BWEWCMHQBSSIOY-OXJNMPFZSA-N 2 0 345.531 3.063 20 0 EGADRP COc1cccc2c(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)c[nH]c21 ZINC001231897014 1376340727 /nfs/dbraw/zinc/34/07/27/1376340727.db2.gz IOMPBPAOTPTPTC-UHFFFAOYSA-N 2 0 327.472 3.484 20 0 EGADRP c1c(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)[nH]c2cc[nH+]cc12 ZINC001232014182 1376382131 /nfs/dbraw/zinc/38/21/31/1376382131.db2.gz ZHSBZPDSKZMVJN-SFHVURJKSA-N 2 0 341.455 3.113 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001232145792 1376408238 /nfs/dbraw/zinc/40/82/38/1376408238.db2.gz ATMADWCYQAGIAF-MRXNPFEDSA-N 2 0 336.451 3.051 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001232145214 1376409334 /nfs/dbraw/zinc/40/93/34/1376409334.db2.gz YLOXBZNYMYGHFE-UKRRQHHQSA-N 2 0 336.348 3.467 20 0 EGADRP C[NH+]1CCC(C2CCN(Cc3nc(Cl)ccc3F)CC2)CC1 ZINC001232158959 1376410886 /nfs/dbraw/zinc/41/08/86/1376410886.db2.gz CDKAIDJMJFQRBF-UHFFFAOYSA-N 2 0 325.859 3.428 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3ccc(N)nc3C)CC2)c2ccccc2[nH+]1 ZINC001232339003 1376444340 /nfs/dbraw/zinc/44/43/40/1376444340.db2.gz HHZAFFLROJUHNO-UHFFFAOYSA-N 2 0 347.466 3.151 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC001327207345 1388443865 /nfs/dbraw/zinc/44/38/65/1388443865.db2.gz XSTLLHWTXJISIM-JXFKEZNVSA-N 2 0 329.488 3.389 20 0 EGADRP CCc1csc(CN(CC[NH+](CC)CC)CC[NH+](CC)CC)n1 ZINC001232476337 1376466210 /nfs/dbraw/zinc/46/62/10/1376466210.db2.gz YHLDVBQUPZMKDD-UHFFFAOYSA-N 2 0 340.581 3.191 20 0 EGADRP CCN(CCC[NH+](C)C)Cc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001232603410 1376488002 /nfs/dbraw/zinc/48/80/02/1376488002.db2.gz YOJYYPFVUOFARR-UHFFFAOYSA-N 2 0 336.480 3.202 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134518040 1376574646 /nfs/dbraw/zinc/57/46/46/1376574646.db2.gz AAHAWSPUCGQHEF-LSDHHAIUSA-N 2 0 339.549 3.486 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583793 1376608718 /nfs/dbraw/zinc/60/87/18/1376608718.db2.gz OJDCSMBUCAKRNH-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584206 1376608767 /nfs/dbraw/zinc/60/87/67/1376608767.db2.gz RUWSMGVULUEWGF-IRXDYDNUSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCCCC1 ZINC001134728950 1376682410 /nfs/dbraw/zinc/68/24/10/1376682410.db2.gz DXFOOKSBXBPGJX-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730375 1376683470 /nfs/dbraw/zinc/68/34/70/1376683470.db2.gz VSIIXLSEVRPYST-PWBPZBFBSA-N 2 0 349.563 3.482 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730374 1376683515 /nfs/dbraw/zinc/68/35/15/1376683515.db2.gz VSIIXLSEVRPYST-MGBKSAOESA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134759560 1376704226 /nfs/dbraw/zinc/70/42/26/1376704226.db2.gz SQGYPOIZOAKVGC-GOSISDBHSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)[NH+]1CCCCCC1 ZINC001134759678 1376704384 /nfs/dbraw/zinc/70/43/84/1376704384.db2.gz XPTZGHMSEZDCBX-YLJYHZDGSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001134759428 1376704578 /nfs/dbraw/zinc/70/45/78/1376704578.db2.gz OXBSMQHPLJYSEP-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001134766210 1376709519 /nfs/dbraw/zinc/70/95/19/1376709519.db2.gz DXFIYDBOYPGNOY-RBUKOAKNSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001134767310 1376709836 /nfs/dbraw/zinc/70/98/36/1376709836.db2.gz VOMAJRVNHPYVTR-OALUTQOASA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001134772233 1376712432 /nfs/dbraw/zinc/71/24/32/1376712432.db2.gz AIIPCFPRBWZMHE-CABCVRRESA-N 2 0 325.541 3.026 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001134773179 1376713590 /nfs/dbraw/zinc/71/35/90/1376713590.db2.gz NAJHSLXDYPIKMH-IRXDYDNUSA-N 2 0 333.520 3.098 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001134774534 1376714029 /nfs/dbraw/zinc/71/40/29/1376714029.db2.gz ZFRFLJXMQVKQSM-JKSUJKDBSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857777 1376757528 /nfs/dbraw/zinc/75/75/28/1376757528.db2.gz JEHSMJXZRODUQB-QZTJIDSGSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCC(C)C)C[C@H]21)[NH+](CC)CC ZINC001189111373 1388461518 /nfs/dbraw/zinc/46/15/18/1388461518.db2.gz YYRAJDCKJXDOQV-IPMKNSEASA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134893298 1376771904 /nfs/dbraw/zinc/77/19/04/1376771904.db2.gz UOCOCOJQOBZPPK-UONOGXRCSA-N 2 0 342.468 3.083 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134893296 1376772598 /nfs/dbraw/zinc/77/25/98/1376772598.db2.gz UOCOCOJQOBZPPK-KBPBESRZSA-N 2 0 342.468 3.083 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134992723 1376832451 /nfs/dbraw/zinc/83/24/51/1376832451.db2.gz AGJVDLKXTOUYQZ-LSDHHAIUSA-N 2 0 342.487 3.257 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994509 1376833235 /nfs/dbraw/zinc/83/32/35/1376833235.db2.gz RWPBRBDRBUHAEJ-JKSUJKDBSA-N 2 0 340.471 3.321 20 0 EGADRP c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429175 1376869566 /nfs/dbraw/zinc/86/95/66/1376869566.db2.gz PVCRXVWNOVUHFO-RTBURBONSA-N 2 0 327.516 3.498 20 0 EGADRP Clc1cccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC001235430058 1376871383 /nfs/dbraw/zinc/87/13/83/1376871383.db2.gz WGSLEPNTMYAMIZ-CABCVRRESA-N 2 0 332.879 3.199 20 0 EGADRP Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)n1 ZINC001235430637 1376871621 /nfs/dbraw/zinc/87/16/21/1376871621.db2.gz KDOOIYJQIIAISD-UXHICEINSA-N 2 0 338.499 3.299 20 0 EGADRP Clc1ccc2c(c1)n[nH]c2C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703426 1376884130 /nfs/dbraw/zinc/88/41/30/1376884130.db2.gz VDSJFVOMCJGHLZ-UHFFFAOYSA-N 2 0 332.879 3.428 20 0 EGADRP COc1ncc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c2ccccc21 ZINC001235704876 1376885244 /nfs/dbraw/zinc/88/52/44/1376885244.db2.gz BKLMRTRCJZYVAD-UHFFFAOYSA-N 2 0 339.483 3.455 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001135095835 1376893333 /nfs/dbraw/zinc/89/33/33/1376893333.db2.gz SKXGNDBKFCBTFH-PMACEKPBSA-N 2 0 343.515 3.033 20 0 EGADRP CCOC(=O)c1ccc(CCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC001235883740 1376909191 /nfs/dbraw/zinc/90/91/91/1376909191.db2.gz LXRLWCOBUVTMGB-HXUWFJFHSA-N 2 0 344.499 3.260 20 0 EGADRP c1ccc(CN2CC[C@H]([N@H+](CCC3C[NH2+]C3)Cc3ccccc3)C2)cc1 ZINC001235947396 1376922769 /nfs/dbraw/zinc/92/27/69/1376922769.db2.gz BBHADUJVBQCZOH-QHCPKHFHSA-N 2 0 349.522 3.373 20 0 EGADRP [NH3+][C@H](CN(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236387881 1376952172 /nfs/dbraw/zinc/95/21/72/1376952172.db2.gz HMAOTDNAOGAJQO-VQTJNVASSA-N 2 0 327.447 3.080 20 0 EGADRP c1ccc(-c2[nH]c3ccccc3c2C[N@@H+]2CC[C@@]3(C2)CNCCO3)cc1 ZINC001237140937 1376977076 /nfs/dbraw/zinc/97/70/76/1376977076.db2.gz CQFJAVBEPWOXNE-QFIPXVFZSA-N 2 0 347.462 3.399 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2ccccc2Cn2cc[nH+]c2N)cc1 ZINC001242152538 1377022794 /nfs/dbraw/zinc/02/27/94/1377022794.db2.gz KWSLNYZBMPNWCK-UHFFFAOYSA-N 2 0 336.439 3.121 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135297821 1377026238 /nfs/dbraw/zinc/02/62/38/1377026238.db2.gz HWVLLGMFYZBTLA-GJZGRUSLSA-N 2 0 337.508 3.264 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135297805 1377026548 /nfs/dbraw/zinc/02/65/48/1377026548.db2.gz HRXNQLLNWMVCBZ-HOTGVXAUSA-N 2 0 349.519 3.408 20 0 EGADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccccc3-n3cccn3)c2)CC1 ZINC001242712778 1377027831 /nfs/dbraw/zinc/02/78/31/1377027831.db2.gz KCQSTLOVCRTFBS-UHFFFAOYSA-N 2 0 332.451 3.462 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCCc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001135317358 1377034482 /nfs/dbraw/zinc/03/44/82/1377034482.db2.gz YBVIJEKTWZRACO-RTBURBONSA-N 2 0 347.547 3.224 20 0 EGADRP COc1cc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)cc(OC)c1 ZINC001246158102 1377050213 /nfs/dbraw/zinc/05/02/13/1377050213.db2.gz GCGFFIUSMAIJLA-UHFFFAOYSA-N 2 0 332.488 3.148 20 0 EGADRP C[C@@H]([NH2+][C@H]1CSC2(C[NH2+]C2)C1)c1ccc(Br)cc1F ZINC001246293076 1377051290 /nfs/dbraw/zinc/05/12/90/1377051290.db2.gz NZVYDLUWDJTVJG-MWLCHTKSSA-N 2 0 345.281 3.086 20 0 EGADRP c1nc(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)cc(OCC2CCC2)n1 ZINC001246382933 1377051633 /nfs/dbraw/zinc/05/16/33/1377051633.db2.gz GNUIODULAALPRJ-UHFFFAOYSA-N 2 0 344.503 3.058 20 0 EGADRP COc1cccc(CC2(C[NH2+][C@@H](C)CCSC)CC[NH2+]CC2)c1 ZINC001246381121 1377051694 /nfs/dbraw/zinc/05/16/94/1377051694.db2.gz OPARTUZFLOUCHG-INIZCTEOSA-N 2 0 336.545 3.339 20 0 EGADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C1 ZINC001246382572 1377051700 /nfs/dbraw/zinc/05/17/00/1377051700.db2.gz CBQDMYIYKPTCJN-RTBURBONSA-N 2 0 334.479 3.285 20 0 EGADRP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542536 1377052365 /nfs/dbraw/zinc/05/23/65/1377052365.db2.gz QEJSDWAUDAJSCQ-KCQAQPDRSA-N 2 0 325.294 3.297 20 0 EGADRP Cc1ccc(C[N@@H+]2CCCC3(CCN([C@@H]4CCC[NH2+]C4)CC3)C2)cc1 ZINC001246748579 1377054452 /nfs/dbraw/zinc/05/44/52/1377054452.db2.gz YZLTYRDEAOLTSB-OAQYLSRUSA-N 2 0 341.543 3.425 20 0 EGADRP C[C@H]1CC[C@@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C[NH2+]1 ZINC001246820520 1377055170 /nfs/dbraw/zinc/05/51/70/1377055170.db2.gz WJSMVUCFBRXOMX-FXAWDEMLSA-N 2 0 329.532 3.242 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)C2 ZINC001246938176 1377055630 /nfs/dbraw/zinc/05/56/30/1377055630.db2.gz RQOZHPIPTSYJJB-JSXRDJHFSA-N 2 0 345.506 3.395 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001135372105 1377059671 /nfs/dbraw/zinc/05/96/71/1377059671.db2.gz NBPMFKDAUROLPN-SJORKVTESA-N 2 0 345.531 3.279 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471462 1377109093 /nfs/dbraw/zinc/10/90/93/1377109093.db2.gz MRJKVVHKCZURGP-IAGOWNOFSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1)[NH2+]CCC1=CCCCC1 ZINC001135475552 1377110311 /nfs/dbraw/zinc/11/03/11/1377110311.db2.gz CEFMXAZREWEKSC-MSOLQXFVSA-N 2 0 349.563 3.482 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1)C(C)C ZINC001135477630 1377111729 /nfs/dbraw/zinc/11/17/29/1377111729.db2.gz LYGLBNKXCIQPBJ-FQEVSTJZSA-N 2 0 347.547 3.382 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCCC1CCC1 ZINC001135480357 1377112049 /nfs/dbraw/zinc/11/20/49/1377112049.db2.gz BDNDHJRVKVJSBX-SJORKVTESA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)CC(C)(C)CC[NH3+] ZINC001258638808 1377118219 /nfs/dbraw/zinc/11/82/19/1377118219.db2.gz DILUXXITNZLBHM-QGZVFWFLSA-N 2 0 345.531 3.282 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135705670 1377190090 /nfs/dbraw/zinc/19/00/90/1377190090.db2.gz HHHIGJZKKHRWSB-STQMWFEESA-N 2 0 345.940 3.116 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135705973 1377190837 /nfs/dbraw/zinc/19/08/37/1377190837.db2.gz MGYWWYYMEYOXMV-HUUCEWRRSA-N 2 0 347.494 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135742897 1377199231 /nfs/dbraw/zinc/19/92/31/1377199231.db2.gz AQNMPDOQEPEZHP-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135742895 1377199245 /nfs/dbraw/zinc/19/92/45/1377199245.db2.gz AQNMPDOQEPEZHP-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767513 1377206001 /nfs/dbraw/zinc/20/60/01/1377206001.db2.gz FEXNFFWTWGGLHO-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001135768942 1377206842 /nfs/dbraw/zinc/20/68/42/1377206842.db2.gz VCRYXEPKFMLRBQ-OALUTQOASA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001135823968 1377222393 /nfs/dbraw/zinc/22/23/93/1377222393.db2.gz KVTDUJKDEWJUGI-QZTJIDSGSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001135823797 1377222399 /nfs/dbraw/zinc/22/23/99/1377222399.db2.gz HXFKXDLHDPJKLE-IRXDYDNUSA-N 2 0 339.568 3.416 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135829872 1377224472 /nfs/dbraw/zinc/22/44/72/1377224472.db2.gz HBHGLQAIYRUJBN-IAGOWNOFSA-N 2 0 325.541 3.026 20 0 EGADRP Cc1ccc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001266240331 1377242778 /nfs/dbraw/zinc/24/27/78/1377242778.db2.gz SSVUABQJXGQOCX-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901356 1377255433 /nfs/dbraw/zinc/25/54/33/1377255433.db2.gz HBTDCTYWNQUNTA-IAGOWNOFSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901846 1377255550 /nfs/dbraw/zinc/25/55/50/1377255550.db2.gz LBBAIBSAPVEUDR-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135945329 1377273616 /nfs/dbraw/zinc/27/36/16/1377273616.db2.gz YTCDPRWSPNNWLS-JKSUJKDBSA-N 2 0 334.508 3.214 20 0 EGADRP Cc1cc(C)cc(C[NH+](C)CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001266332062 1377277158 /nfs/dbraw/zinc/27/71/58/1377277158.db2.gz ATVMUWZHDJLXJR-HXUWFJFHSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135975967 1377284667 /nfs/dbraw/zinc/28/46/67/1377284667.db2.gz FTSLZVCDDVODKR-STQMWFEESA-N 2 0 345.940 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135980275 1377285883 /nfs/dbraw/zinc/28/58/83/1377285883.db2.gz MOVADUUYJGBBFN-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001135995992 1377292257 /nfs/dbraw/zinc/29/22/57/1377292257.db2.gz PENXELNBNBIXLS-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC001136473376 1377396537 /nfs/dbraw/zinc/39/65/37/1377396537.db2.gz KXQIUKAKMLKUHD-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001137176555 1377491318 /nfs/dbraw/zinc/49/13/18/1377491318.db2.gz XKYWZUMTOCQYTG-VCWRXUFXSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001270125368 1377595025 /nfs/dbraw/zinc/59/50/25/1377595025.db2.gz XPGJTPYMLRGZIH-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C)cc2)C1 ZINC001272093373 1377655940 /nfs/dbraw/zinc/65/59/40/1377655940.db2.gz PJZUOANCCIQYQL-FQEVSTJZSA-N 2 0 345.531 3.007 20 0 EGADRP COCCN(Cc1[nH]c2ccc(F)cc2c1C)C1CC[NH+](C)CC1 ZINC001138411388 1377719057 /nfs/dbraw/zinc/71/90/57/1377719057.db2.gz AQTXERXUKUEMAS-UHFFFAOYSA-N 2 0 333.451 3.158 20 0 EGADRP Cc1c2cc(F)ccc2[nH]c1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001138412360 1377719628 /nfs/dbraw/zinc/71/96/28/1377719628.db2.gz FNIHDQNXFZEGGN-UHFFFAOYSA-N 2 0 348.510 3.321 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)cc1 ZINC001138772698 1377782268 /nfs/dbraw/zinc/78/22/68/1377782268.db2.gz XFJSRESOEHJVHX-FQEVSTJZSA-N 2 0 339.483 3.229 20 0 EGADRP Cc1ccc2cc(C[N@H+]3CCc4nccn4CC3)c(Cl)nc2c1 ZINC001138861343 1377796290 /nfs/dbraw/zinc/79/62/90/1377796290.db2.gz CMMVSWUVTUVATO-UHFFFAOYSA-N 2 0 326.831 3.451 20 0 EGADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139100056 1377829590 /nfs/dbraw/zinc/82/95/90/1377829590.db2.gz PXNOJDVYBNAEDD-VQTJNVASSA-N 2 0 338.499 3.371 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[NH+]1CCCCCC1 ZINC001139362011 1377874351 /nfs/dbraw/zinc/87/43/51/1377874351.db2.gz SGNJWOQMFCJFLR-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001140413497 1378059221 /nfs/dbraw/zinc/05/92/21/1378059221.db2.gz ZRTYNJBQTDJTOH-IBGZPJMESA-N 2 0 342.874 3.325 20 0 EGADRP O=C(NC1CCCC1)[C@@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272717258 1378079766 /nfs/dbraw/zinc/07/97/66/1378079766.db2.gz RNJNEURKRCVBTB-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CCC2)CC[N@@H+]1C ZINC001273084324 1378087007 /nfs/dbraw/zinc/08/70/07/1378087007.db2.gz KCTCDCYIKMZUAQ-SJLPKXTDSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001273166687 1378090532 /nfs/dbraw/zinc/09/05/32/1378090532.db2.gz RSIFIFLQILPJOE-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140705316 1378119181 /nfs/dbraw/zinc/11/91/81/1378119181.db2.gz IAWOYBPEMXQYHL-QGZVFWFLSA-N 2 0 345.512 3.332 20 0 EGADRP Cn1cnc2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc21 ZINC001140746705 1378128778 /nfs/dbraw/zinc/12/87/78/1378128778.db2.gz MDKFARWJHOGUHR-SFHVURJKSA-N 2 0 326.488 3.414 20 0 EGADRP Cc1cc(F)ccc1CN1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140779650 1378134151 /nfs/dbraw/zinc/13/41/51/1378134151.db2.gz VDNZCEVHTJADDE-HXUWFJFHSA-N 2 0 334.479 3.457 20 0 EGADRP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275703792 1378150952 /nfs/dbraw/zinc/15/09/52/1378150952.db2.gz FTUMYLBIILFBGX-GOSISDBHSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275894314 1378161237 /nfs/dbraw/zinc/16/12/37/1378161237.db2.gz HVVBJKGVTAXRFQ-OAQYLSRUSA-N 2 0 338.499 3.489 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001275894427 1378161284 /nfs/dbraw/zinc/16/12/84/1378161284.db2.gz JZDGSPRPXFHYQB-OAQYLSRUSA-N 2 0 336.483 3.451 20 0 EGADRP Nc1cccc(F)c1CN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140872883 1378164764 /nfs/dbraw/zinc/16/47/64/1378164764.db2.gz JWOXPMONPUWDGS-OKILXGFUSA-N 2 0 331.460 3.033 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1(c3ccccc3)CCOCC1)C2 ZINC001276494621 1378175697 /nfs/dbraw/zinc/17/56/97/1378175697.db2.gz XRQAMABRLDTMHR-FQEVSTJZSA-N 2 0 328.500 3.153 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1(c3ccccc3)CCOCC1)C2 ZINC001276494622 1378175747 /nfs/dbraw/zinc/17/57/47/1378175747.db2.gz XRQAMABRLDTMHR-HXUWFJFHSA-N 2 0 328.500 3.153 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(-c3ncccn3)c1)CC2 ZINC001140982080 1378199062 /nfs/dbraw/zinc/19/90/62/1378199062.db2.gz CXAYLBCQWJUFCU-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277423502 1378221990 /nfs/dbraw/zinc/22/19/90/1378221990.db2.gz QKGKHKOOPABBQD-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COCCO1 ZINC001277524313 1378230790 /nfs/dbraw/zinc/23/07/90/1378230790.db2.gz GHPSAGPDTBHGCX-DZJYIKFMSA-N 2 0 338.536 3.203 20 0 EGADRP CCCC[C@H](CC)C[NH2+][C@@]12CC[C@@]([NH2+]CCNC(C)=O)(C1)CCC2 ZINC001277906130 1378251017 /nfs/dbraw/zinc/25/10/17/1378251017.db2.gz RYRRPVLQBCIEEA-ZCNNSNEGSA-N 2 0 337.552 3.364 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](CCC1CC1)C2 ZINC001278210967 1378263502 /nfs/dbraw/zinc/26/35/02/1378263502.db2.gz FMECJGIAMJSLKV-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(-c2ccsc2)c1 ZINC001141384645 1378315500 /nfs/dbraw/zinc/31/55/00/1378315500.db2.gz SBIYIVFPCZCYKS-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH+](CC)CC)cc1 ZINC001141585111 1378346456 /nfs/dbraw/zinc/34/64/56/1378346456.db2.gz IOMMBGKCLGBOLY-RBUKOAKNSA-N 2 0 333.520 3.088 20 0 EGADRP CSc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC001142027819 1378406809 /nfs/dbraw/zinc/40/68/09/1378406809.db2.gz NYVVCXQSMZIIJT-UHFFFAOYSA-N 2 0 329.579 3.175 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001281955525 1378463807 /nfs/dbraw/zinc/46/38/07/1378463807.db2.gz NJRPDRCAGJOSEZ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5n[nH]cc54)C[C@H]3C2)cc1 ZINC001143090185 1378537618 /nfs/dbraw/zinc/53/76/18/1378537618.db2.gz MBNFGQBJQANYPQ-WOJBJXKFSA-N 2 0 346.478 3.435 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001143140333 1378546091 /nfs/dbraw/zinc/54/60/91/1378546091.db2.gz NJFPVQXDEOBAKW-MSOLQXFVSA-N 2 0 339.568 3.323 20 0 EGADRP COc1c(F)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC001143848290 1378653330 /nfs/dbraw/zinc/65/33/30/1378653330.db2.gz SVWSGGRURMMSAB-UHFFFAOYSA-N 2 0 326.843 3.405 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)c(F)cc1F ZINC001144130664 1378686317 /nfs/dbraw/zinc/68/63/17/1378686317.db2.gz NVUKHGKFZCQXOX-UHFFFAOYSA-N 2 0 347.881 3.324 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(OC)cn3)CC2)CC1 ZINC001144433509 1378731445 /nfs/dbraw/zinc/73/14/45/1378731445.db2.gz JEILOKKXNMTEDS-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001144446096 1378733199 /nfs/dbraw/zinc/73/31/99/1378733199.db2.gz UYXGDPQIVODVGA-UHFFFAOYSA-N 2 0 336.451 3.165 20 0 EGADRP CC(C)[C@H]1CC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001144650217 1378754852 /nfs/dbraw/zinc/75/48/52/1378754852.db2.gz ZAIDHKXIEAOILH-WGSAOQKQSA-N 2 0 339.568 3.181 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535294 1378862775 /nfs/dbraw/zinc/86/27/75/1378862775.db2.gz LWGQMLQEPPBKJU-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583918 1378870921 /nfs/dbraw/zinc/87/09/21/1378870921.db2.gz PVSHQDWIUMSBAG-IRXDYDNUSA-N 2 0 345.531 3.425 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583694 1378870960 /nfs/dbraw/zinc/87/09/60/1378870960.db2.gz NXITVWHNYORYGJ-IRXDYDNUSA-N 2 0 345.531 3.425 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583451 1378871260 /nfs/dbraw/zinc/87/12/60/1378871260.db2.gz LFIUBURXCVGGTO-JKSUJKDBSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001146608758 1378876445 /nfs/dbraw/zinc/87/64/45/1378876445.db2.gz BACUCHQKYQILLK-DLBZAZTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001146614319 1378877941 /nfs/dbraw/zinc/87/79/41/1378877941.db2.gz XTOXFEHOVVCHKW-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146716298 1378906847 /nfs/dbraw/zinc/90/68/47/1378906847.db2.gz YUKDLWXRLBQXIC-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001147456944 1379025046 /nfs/dbraw/zinc/02/50/46/1379025046.db2.gz AHDWKWCYVHVHGP-FQQSSWHASA-N 2 0 331.504 3.132 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC001147466411 1379026231 /nfs/dbraw/zinc/02/62/31/1379026231.db2.gz KYTWKEGNLSYEIE-YLJYHZDGSA-N 2 0 339.483 3.146 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC001147466409 1379026470 /nfs/dbraw/zinc/02/64/70/1379026470.db2.gz KYTWKEGNLSYEIE-PXNSSMCTSA-N 2 0 339.483 3.146 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147541870 1379039874 /nfs/dbraw/zinc/03/98/74/1379039874.db2.gz ZVSZWUBARGNSRZ-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1c(C(=O)N(C)C[C@H](C)[NH2+]CC2CCCCC2)ccc2c[nH+]cn21 ZINC001283630561 1379065669 /nfs/dbraw/zinc/06/56/69/1379065669.db2.gz QCVPOYGWVUPLPF-HNNXBMFYSA-N 2 0 342.487 3.273 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001147824517 1379085641 /nfs/dbraw/zinc/08/56/41/1379085641.db2.gz KRUJPJLJIOIITF-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC1CCC(C)CC1)C2 ZINC001147836074 1379088042 /nfs/dbraw/zinc/08/80/42/1379088042.db2.gz PPKIKSSPLIISPL-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001147835888 1379088089 /nfs/dbraw/zinc/08/80/89/1379088089.db2.gz WDNNKKWBTSNQPK-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993594 1379104535 /nfs/dbraw/zinc/10/45/35/1379104535.db2.gz XINRWRIHBDAYRR-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001148444740 1379172437 /nfs/dbraw/zinc/17/24/37/1379172437.db2.gz FTUKTXDCYIAUSC-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477546 1379182048 /nfs/dbraw/zinc/18/20/48/1379182048.db2.gz XAOFCDGIGXTHRR-YXBWYFRISA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001148571087 1379214114 /nfs/dbraw/zinc/21/41/14/1379214114.db2.gz VTFVICPIRJKEHQ-UHFFFAOYSA-N 2 0 341.499 3.086 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777218 1379266121 /nfs/dbraw/zinc/26/61/21/1379266121.db2.gz QCAMCSVPFKYYDR-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001284152560 1379548446 /nfs/dbraw/zinc/54/84/46/1379548446.db2.gz IIDMBOXNATZAJR-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001151361475 1379705059 /nfs/dbraw/zinc/70/50/59/1379705059.db2.gz IDORFKLLFPZZKJ-IBGZPJMESA-N 2 0 345.531 3.336 20 0 EGADRP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392037 1379926197 /nfs/dbraw/zinc/92/61/97/1379926197.db2.gz JJFVFNTXZMLKBG-YLJYHZDGSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CCCC1CCCC1)[NH+]1CCCCC1 ZINC001152479292 1379940400 /nfs/dbraw/zinc/94/04/00/1379940400.db2.gz DOLCDPBSVSTIBF-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362715 1380064885 /nfs/dbraw/zinc/06/48/85/1380064885.db2.gz UCNZQOGPONZYCY-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CCCC1 ZINC001153720294 1380118894 /nfs/dbraw/zinc/11/88/94/1380118894.db2.gz AHAVFKZWTSCENI-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823857 1380137570 /nfs/dbraw/zinc/13/75/70/1380137570.db2.gz BHEWJYFZBUWWHY-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C/C=C/c1ccccc1 ZINC001154070274 1380198215 /nfs/dbraw/zinc/19/82/15/1380198215.db2.gz WYUJRCOUOKSICU-NKAIQICCSA-N 2 0 345.531 3.257 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099550 1380207601 /nfs/dbraw/zinc/20/76/01/1380207601.db2.gz LPLSWKYKKVXULD-MRXNPFEDSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455180 1380281220 /nfs/dbraw/zinc/28/12/20/1380281220.db2.gz JAKLEJUTQITCDU-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844484 1380364181 /nfs/dbraw/zinc/36/41/81/1380364181.db2.gz JOLBYMKYGIFBAY-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](Cc1ccccc1C1CC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904159 1380374575 /nfs/dbraw/zinc/37/45/75/1380374575.db2.gz NCAHRIIOUUYBGF-QGZVFWFLSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](Cc1ccc(C2CC2)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903828 1380374677 /nfs/dbraw/zinc/37/46/77/1380374677.db2.gz GUDDIDIIPHSHBU-QGZVFWFLSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909862 1380375662 /nfs/dbraw/zinc/37/56/62/1380375662.db2.gz UWELFRYNUFKHHI-CQSZACIVSA-N 2 0 339.549 3.033 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001154987467 1380385874 /nfs/dbraw/zinc/38/58/74/1380385874.db2.gz XNJDLPPOECRRBI-RTBURBONSA-N 2 0 336.483 3.322 20 0 EGADRP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226655 1380426607 /nfs/dbraw/zinc/42/66/07/1380426607.db2.gz MDZIBAFJGYVIBC-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249652 1380429092 /nfs/dbraw/zinc/42/90/92/1380429092.db2.gz PFESNWHEAAEDPM-QZTJIDSGSA-N 2 0 347.547 3.277 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155619964 1380474858 /nfs/dbraw/zinc/47/48/58/1380474858.db2.gz FAZDGCKYQSXPMH-UYAOXDASSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001155802146 1380493631 /nfs/dbraw/zinc/49/36/31/1380493631.db2.gz GVTCEXKKDPOGAE-OXJNMPFZSA-N 2 0 339.483 3.091 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001155812385 1380494416 /nfs/dbraw/zinc/49/44/16/1380494416.db2.gz MKJFVNRHCNCTTI-ABHNRTSZSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131096 1380529257 /nfs/dbraw/zinc/52/92/57/1380529257.db2.gz DGYIXPDFVXVOGA-QGZVFWFLSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341581 1380561684 /nfs/dbraw/zinc/56/16/84/1380561684.db2.gz JSVJGQOPZROXNM-WIYYLYMNSA-N 2 0 347.547 3.336 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428303 1380574801 /nfs/dbraw/zinc/57/48/01/1380574801.db2.gz GRATUFKFMZYROL-MRXNPFEDSA-N 2 0 346.519 3.168 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428305 1380574926 /nfs/dbraw/zinc/57/49/26/1380574926.db2.gz GTZTZLPNGQKJGX-MRXNPFEDSA-N 2 0 348.535 3.414 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475765 1380581256 /nfs/dbraw/zinc/58/12/56/1380581256.db2.gz TWVJJEHGNMMGFY-QGZVFWFLSA-N 2 0 327.557 3.371 20 0 EGADRP Cc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(N(C)C)[nH+]1 ZINC001156523866 1380588078 /nfs/dbraw/zinc/58/80/78/1380588078.db2.gz WQSWXVPHGMLMDC-KRWDZBQOSA-N 2 0 325.460 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](C)CC(C)C)CC1(C)C ZINC001328098836 1388670798 /nfs/dbraw/zinc/67/07/98/1388670798.db2.gz QRVLPSSPYHPLBQ-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP Cc1c[nH+]c(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c(N)c1 ZINC001157074789 1380768985 /nfs/dbraw/zinc/76/89/85/1380768985.db2.gz QNYRMBWBXBGIFF-UHFFFAOYSA-N 2 0 328.435 3.212 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092309 1380774012 /nfs/dbraw/zinc/77/40/12/1380774012.db2.gz QXVFIDXWKBIUSF-IHHMQQGQSA-N 2 0 337.552 3.435 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092241 1380774184 /nfs/dbraw/zinc/77/41/84/1380774184.db2.gz OEUQYIUAMYDBGU-GOSISDBHSA-N 2 0 325.541 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[NH+](C)[C@@H]3C2)nc1 ZINC001157281264 1380832286 /nfs/dbraw/zinc/83/22/86/1380832286.db2.gz DZFRGJHXGWWVEL-IPMKNSEASA-N 2 0 328.504 3.159 20 0 EGADRP C[C@H]([NH3+])c1cccc(C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001158043969 1381110349 /nfs/dbraw/zinc/11/03/49/1381110349.db2.gz ANWQRZDMYXRAIS-JXFKEZNVSA-N 2 0 329.488 3.092 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C)cs1 ZINC001328253612 1388699606 /nfs/dbraw/zinc/69/96/06/1388699606.db2.gz BMLFAMXCMVDCPK-PBHICJAKSA-N 2 0 349.544 3.010 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158089856 1381125955 /nfs/dbraw/zinc/12/59/55/1381125955.db2.gz FQPUSXUZFBPHJO-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100053 1381127504 /nfs/dbraw/zinc/12/75/04/1381127504.db2.gz VWWOCAISAUSPGA-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158098791 1381127913 /nfs/dbraw/zinc/12/79/13/1381127913.db2.gz JUBKWQSOGCYNKG-VZSQWMKGSA-N 2 0 349.563 3.483 20 0 EGADRP Cc1cc(N2CCCC2)nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001158259220 1381175156 /nfs/dbraw/zinc/17/51/56/1381175156.db2.gz GGPHAEHXUPWBPQ-KXBFYZLASA-N 2 0 331.508 3.341 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158290113 1381186567 /nfs/dbraw/zinc/18/65/67/1381186567.db2.gz XLWBLWUMJNZLCY-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC=C(C)C)C1 ZINC001158398542 1381230669 /nfs/dbraw/zinc/23/06/69/1381230669.db2.gz XBRHFYMEJQHFSB-VQTJNVASSA-N 2 0 349.563 3.388 20 0 EGADRP CCc1ccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001158449926 1381249803 /nfs/dbraw/zinc/24/98/03/1381249803.db2.gz JAYPDZVYDSWMKX-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158474390 1381256807 /nfs/dbraw/zinc/25/68/07/1381256807.db2.gz YJNAIKUTUJIFLV-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1cc(C[NH+](C)C)ccn1 ZINC001158522011 1381280331 /nfs/dbraw/zinc/28/03/31/1381280331.db2.gz QSYSKOPPHRTTSH-QZTJIDSGSA-N 2 0 338.499 3.242 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922927 1381466206 /nfs/dbraw/zinc/46/62/06/1381466206.db2.gz NIZKYEZFUJVTNF-GOSISDBHSA-N 2 0 325.541 3.076 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001159171920 1381714133 /nfs/dbraw/zinc/71/41/33/1381714133.db2.gz UEGOVBATMKMESB-UHFFFAOYSA-N 2 0 337.533 3.100 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001159334714 1381768165 /nfs/dbraw/zinc/76/81/65/1381768165.db2.gz GFJQLANJJIDPGD-MOPGFXCFSA-N 2 0 349.494 3.247 20 0 EGADRP c1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)ccc1C[NH+]1CCCC1 ZINC001159456330 1381798516 /nfs/dbraw/zinc/79/85/16/1381798516.db2.gz SNMMQIQOZBQEQK-UHFFFAOYSA-N 2 0 336.483 3.436 20 0 EGADRP c1ccc(Nc2cccc(N3CC[NH2+]CC3)c2)c(C[NH+]2CCCC2)c1 ZINC001159516287 1381814652 /nfs/dbraw/zinc/81/46/52/1381814652.db2.gz PZGRNLYGSGKGBL-UHFFFAOYSA-N 2 0 336.483 3.436 20 0 EGADRP [NH3+]CCc1ccc(Nc2ccc(COC3CC[NH2+]CC3)cc2)cc1 ZINC001159646293 1381858455 /nfs/dbraw/zinc/85/84/55/1381858455.db2.gz RKRHKHVVYMRMKT-UHFFFAOYSA-N 2 0 325.456 3.200 20 0 EGADRP C[NH+](C)CCOc1cccc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)c1 ZINC001159779530 1381896619 /nfs/dbraw/zinc/89/66/19/1381896619.db2.gz YLHWSJCHPQESCP-QGZVFWFLSA-N 2 0 325.456 3.448 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)cn1 ZINC001159775392 1381896643 /nfs/dbraw/zinc/89/66/43/1381896643.db2.gz HLHVLJVWLBKZKQ-KRWDZBQOSA-N 2 0 340.471 3.233 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC001159787653 1381899689 /nfs/dbraw/zinc/89/96/89/1381899689.db2.gz ASVZNUFFAGWVPA-LJQANCHMSA-N 2 0 333.439 3.246 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001159838655 1381916918 /nfs/dbraw/zinc/91/69/18/1381916918.db2.gz MTMPBHKQOSVQCR-IBGZPJMESA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001159908752 1381934784 /nfs/dbraw/zinc/93/47/84/1381934784.db2.gz JVELLMUQWHRZQN-VQIMIIECSA-N 2 0 349.494 3.246 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119626 1382003305 /nfs/dbraw/zinc/00/33/05/1382003305.db2.gz DIMIXOXKZFENEB-FQEVSTJZSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120311 1382003394 /nfs/dbraw/zinc/00/33/94/1382003394.db2.gz LLMWZHRIKJZUAO-IEBWSBKVSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001160285952 1382062305 /nfs/dbraw/zinc/06/23/05/1382062305.db2.gz MAPJIFRBDACBLK-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360118 1382082524 /nfs/dbraw/zinc/08/25/24/1382082524.db2.gz JIKXDXQWUZQIEZ-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001160432658 1382102706 /nfs/dbraw/zinc/10/27/06/1382102706.db2.gz ABXFXGABAKJXRR-YOEHRIQHSA-N 2 0 339.911 3.083 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC001290681160 1382103674 /nfs/dbraw/zinc/10/36/74/1382103674.db2.gz JURHFWPUDOTMPS-KURKYZTESA-N 2 0 325.541 3.074 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160501056 1382125605 /nfs/dbraw/zinc/12/56/05/1382125605.db2.gz VPSUUXMGUPJONS-XJDXJNMNSA-N 2 0 347.547 3.356 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160870003 1382220176 /nfs/dbraw/zinc/22/01/76/1382220176.db2.gz UNIDFRVFDHHDKN-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP CCc1nc(Cl)nc(Cl)c1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160951798 1382249514 /nfs/dbraw/zinc/24/95/14/1382249514.db2.gz LGSNUENDVLXRJF-UHFFFAOYSA-N 2 0 336.226 3.186 20 0 EGADRP CC(C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160990541 1382263530 /nfs/dbraw/zinc/26/35/30/1382263530.db2.gz CCVOIYWSHWJHBX-HXUWFJFHSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001161206758 1382340450 /nfs/dbraw/zinc/34/04/50/1382340450.db2.gz MWIOXIRDAGXFFS-QGZVFWFLSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)[NH+](CC)CC ZINC001161212748 1382343721 /nfs/dbraw/zinc/34/37/21/1382343721.db2.gz AEIQLAXHMYFONH-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001161227333 1382348919 /nfs/dbraw/zinc/34/89/19/1382348919.db2.gz ZJOYWXIRLGQLCO-KRWDZBQOSA-N 2 0 333.520 3.191 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001161227156 1382349067 /nfs/dbraw/zinc/34/90/67/1382349067.db2.gz VKFZVWUPFIDQDE-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001161226795 1382349281 /nfs/dbraw/zinc/34/92/81/1382349281.db2.gz OWYPBIIJALUOOJ-GOSISDBHSA-N 2 0 349.494 3.029 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383436 1382392357 /nfs/dbraw/zinc/39/23/57/1382392357.db2.gz XPDHRRCQLKXMTJ-GOSISDBHSA-N 2 0 335.536 3.189 20 0 EGADRP Cc1ccc(CN(C(=O)C[C@@H]([NH3+])CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397219 1382398268 /nfs/dbraw/zinc/39/82/68/1382398268.db2.gz VAXHSSPHZUDHRK-UFYCRDLUSA-N 2 0 345.531 3.357 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CC2CCC(C)CC2)CC1 ZINC001161504348 1382424915 /nfs/dbraw/zinc/42/49/15/1382424915.db2.gz IXXIZJYIYOPTSM-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553518 1382438781 /nfs/dbraw/zinc/43/87/81/1382438781.db2.gz CFYJNXNPRFNXHO-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161938413 1382560916 /nfs/dbraw/zinc/56/09/16/1382560916.db2.gz LKXLMLLHXGHZLY-UHFFFAOYSA-N 2 0 343.515 3.156 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001161952285 1382568160 /nfs/dbraw/zinc/56/81/60/1382568160.db2.gz FPGBZLAGLXJMOC-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953019 1382569600 /nfs/dbraw/zinc/56/96/00/1382569600.db2.gz OPCYYRXDYYNSEA-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP [NH3+]CCN(c1ccc2c(c1)COC21C[NH2+]C1)c1cccc2ccccc21 ZINC001162006413 1382597439 /nfs/dbraw/zinc/59/74/39/1382597439.db2.gz ARXZUPHDEUVHQW-UHFFFAOYSA-N 2 0 345.446 3.265 20 0 EGADRP Cc1nc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc(N(C)C)[nH+]1 ZINC001162186867 1382652428 /nfs/dbraw/zinc/65/24/28/1382652428.db2.gz ZGOWPVPDNKHTRI-QAQDUYKDSA-N 2 0 331.508 3.118 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328682468 1388805207 /nfs/dbraw/zinc/80/52/07/1388805207.db2.gz VCTQMNYKGXGJOS-ONGXEEELSA-N 2 0 336.329 3.106 20 0 EGADRP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162579036 1382796724 /nfs/dbraw/zinc/79/67/24/1382796724.db2.gz DCSZOXVDPQLWDL-GOSISDBHSA-N 2 0 336.455 3.268 20 0 EGADRP CC[NH+](CC)Cc1cc(OC)ccc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162587922 1382799921 /nfs/dbraw/zinc/79/99/21/1382799921.db2.gz YBUPQPNQFPTAOU-IBGZPJMESA-N 2 0 337.483 3.431 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC001162617117 1382811058 /nfs/dbraw/zinc/81/10/58/1382811058.db2.gz AUORVPGWRGZDQW-LJQANCHMSA-N 2 0 336.439 3.195 20 0 EGADRP CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162982384 1382936322 /nfs/dbraw/zinc/93/63/22/1382936322.db2.gz CGJADNKXUVHCFY-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP CC[C@H](C)c1nc(Cl)c(C)c(NC(=[NH2+])NCC[NH+](CC)CC)n1 ZINC001163129822 1382972037 /nfs/dbraw/zinc/97/20/37/1382972037.db2.gz QZJGZECKSSLZDI-NSHDSACASA-N 2 0 340.903 3.230 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NC3(c4ccc(N)cc4)CC3)c2)CC1 ZINC001163202691 1382992130 /nfs/dbraw/zinc/99/21/30/1382992130.db2.gz UMLOPQUCRZAMNN-UHFFFAOYSA-N 2 0 338.455 3.238 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163249023 1383004641 /nfs/dbraw/zinc/00/46/41/1383004641.db2.gz UQWZAHSFAUURBF-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163291011 1383013951 /nfs/dbraw/zinc/01/39/51/1383013951.db2.gz XNHQKAAWWPPCBQ-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1nc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)cc(N(C)C)[nH+]1 ZINC001163315916 1383019821 /nfs/dbraw/zinc/01/98/21/1383019821.db2.gz UHQHSGIQQPIXCL-INIZCTEOSA-N 2 0 329.492 3.084 20 0 EGADRP CC(C)Oc1cc[nH+]c(N2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001163881740 1383132443 /nfs/dbraw/zinc/13/24/43/1383132443.db2.gz VRKFODRQQHKMPB-UHFFFAOYSA-N 2 0 347.503 3.198 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001164455486 1383188328 /nfs/dbraw/zinc/18/83/28/1383188328.db2.gz CAABEDLDUWQCHV-LJQANCHMSA-N 2 0 349.563 3.175 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164501121 1383193980 /nfs/dbraw/zinc/19/39/80/1383193980.db2.gz SMJZNDYQDNRVID-IBGZPJMESA-N 2 0 337.552 3.460 20 0 EGADRP CC(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164540874 1383197705 /nfs/dbraw/zinc/19/77/05/1383197705.db2.gz QSVHRCOSAZFPBW-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001164582339 1383201764 /nfs/dbraw/zinc/20/17/64/1383201764.db2.gz ITDGWEJMPSPNLS-IAGOWNOFSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164582696 1383202124 /nfs/dbraw/zinc/20/21/24/1383202124.db2.gz NHDZCPCMOFZMRK-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165083477 1383224547 /nfs/dbraw/zinc/22/45/47/1383224547.db2.gz GKDCMIWBLDYLNK-YLJYHZDGSA-N 2 0 332.451 3.284 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1cccc2ccccc21 ZINC001165379249 1383282976 /nfs/dbraw/zinc/28/29/76/1383282976.db2.gz VJIFVENEEWFPTI-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001165718729 1383331301 /nfs/dbraw/zinc/33/13/01/1383331301.db2.gz PJJZTEQMXOZUBX-MAUKXSAKSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001165801257 1383346406 /nfs/dbraw/zinc/34/64/06/1383346406.db2.gz SBVGZAOQPXEKBI-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001165801258 1383346608 /nfs/dbraw/zinc/34/66/08/1383346608.db2.gz SBVGZAOQPXEKBI-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165992462 1383374680 /nfs/dbraw/zinc/37/46/80/1383374680.db2.gz DNWTZAXMUFMZMC-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189243 1383399601 /nfs/dbraw/zinc/39/96/01/1383399601.db2.gz DVEXZVXYSISWKC-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F)[NH+](CC)CC ZINC001166446257 1383422918 /nfs/dbraw/zinc/42/29/18/1383422918.db2.gz AWMBRDGDIKHMOG-JKSUJKDBSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001166633175 1383450773 /nfs/dbraw/zinc/45/07/73/1383450773.db2.gz BHHZBBYFTNDCIX-KRWDZBQOSA-N 2 0 345.531 3.064 20 0 EGADRP CC(C)[NH+]1CCC(CNc2ccccc2Cn2cc[nH+]c2N)CC1 ZINC001166636323 1383451342 /nfs/dbraw/zinc/45/13/42/1383451342.db2.gz LSAXYKFKJWJVEE-UHFFFAOYSA-N 2 0 327.476 3.046 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001166751434 1383471546 /nfs/dbraw/zinc/47/15/46/1383471546.db2.gz RHPPYMZIRJASDY-QZTJIDSGSA-N 2 0 339.568 3.277 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CCC2CCCCCC2)C1 ZINC001166764915 1383474106 /nfs/dbraw/zinc/47/41/06/1383474106.db2.gz OAWXXDAFMCNAAP-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793124 1383477832 /nfs/dbraw/zinc/47/78/32/1383477832.db2.gz FNOHWNZJNBYGPX-GOSISDBHSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001166851869 1383487685 /nfs/dbraw/zinc/48/76/85/1383487685.db2.gz JIJDTJJRKMGHAD-UZLBHIALSA-N 2 0 341.499 3.337 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CC2(CCNC(=O)CCC[NH+](C)C)CC2)c1 ZINC001166882678 1383493509 /nfs/dbraw/zinc/49/35/09/1383493509.db2.gz NCDVBTUKEALWTN-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP c1ccc([C@H](CNc2ccc3c(c2)COC32C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC001166910141 1383498732 /nfs/dbraw/zinc/49/87/32/1383498732.db2.gz KWFPPQXDTLONRF-NRFANRHFSA-N 2 0 349.478 3.264 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1)[NH+](CC)CC ZINC001167179488 1383559650 /nfs/dbraw/zinc/55/96/50/1383559650.db2.gz KTTSBPSVTYNYTC-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001167179175 1383559800 /nfs/dbraw/zinc/55/98/00/1383559800.db2.gz CHZXTYPLRPUEBZ-LJQANCHMSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167236039 1383571696 /nfs/dbraw/zinc/57/16/96/1383571696.db2.gz GKTVUUBFJKWYCO-HKUYNNGSSA-N 2 0 349.563 3.031 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167236065 1383571894 /nfs/dbraw/zinc/57/18/94/1383571894.db2.gz GWWBGDYRTMOFGC-MJGOQNOKSA-N 2 0 349.563 3.031 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385871 1383618735 /nfs/dbraw/zinc/61/87/35/1383618735.db2.gz WNCMJMQOBCSRSU-UEKDZROGSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385825 1383619269 /nfs/dbraw/zinc/61/92/69/1383619269.db2.gz VAVLDXDMHLWXJW-GOSISDBHSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H](C(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001300205946 1383652438 /nfs/dbraw/zinc/65/24/38/1383652438.db2.gz BFPXEVVLKZQSIC-TWFHAPMSSA-N 2 0 343.515 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001167636774 1383695170 /nfs/dbraw/zinc/69/51/70/1383695170.db2.gz ZBFKIROQQGNWDN-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167640269 1383695897 /nfs/dbraw/zinc/69/58/97/1383695897.db2.gz LFXXJABSQBAXCX-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167685710 1383709690 /nfs/dbraw/zinc/70/96/90/1383709690.db2.gz JXXYNYZACIOHEC-ZACQAIPSSA-N 2 0 339.524 3.048 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001167694894 1383713116 /nfs/dbraw/zinc/71/31/16/1383713116.db2.gz ZJSBUBGUOBLNPR-IBGZPJMESA-N 2 0 349.563 3.483 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167812823 1383746433 /nfs/dbraw/zinc/74/64/33/1383746433.db2.gz WKMSFQXVDFIXCY-UHFFFAOYSA-N 2 0 349.563 3.485 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001167823765 1383749560 /nfs/dbraw/zinc/74/95/60/1383749560.db2.gz FICNHHTXSPIYQF-DFQSSKMNSA-N 2 0 338.536 3.157 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1cccc(OC)n1)C1CC[NH2+]CC1 ZINC001167834449 1383752960 /nfs/dbraw/zinc/75/29/60/1383752960.db2.gz KDQPKRFTIMLSBD-QGZVFWFLSA-N 2 0 348.535 3.159 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ncc(C)cn2)C1 ZINC001167836190 1383754051 /nfs/dbraw/zinc/75/40/51/1383754051.db2.gz XCPDBAYKBIBWNM-QZTJIDSGSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2cc(C)ncn2)C1 ZINC001167836252 1383754840 /nfs/dbraw/zinc/75/48/40/1383754840.db2.gz YKGMGZJBCBNWKR-MSOLQXFVSA-N 2 0 334.508 3.139 20 0 EGADRP CCOC(=O)N1CCC([N@H+](C)[C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167837507 1383755313 /nfs/dbraw/zinc/75/53/13/1383755313.db2.gz LTGWONBTTSZGGU-INIZCTEOSA-N 2 0 327.513 3.050 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167840110 1383755681 /nfs/dbraw/zinc/75/56/81/1383755681.db2.gz DUVCSNDNKNKEHU-GVDBMIGSSA-N 2 0 339.524 3.048 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC001167840106 1383755812 /nfs/dbraw/zinc/75/58/12/1383755812.db2.gz DTVSRZCWQRRZHS-LJQANCHMSA-N 2 0 345.531 3.345 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001167840111 1383756144 /nfs/dbraw/zinc/75/61/44/1383756144.db2.gz DUVCSNDNKNKEHU-ULQDDVLXSA-N 2 0 339.524 3.048 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2sc(-c3ccccc3)cc21 ZINC001167878623 1383764503 /nfs/dbraw/zinc/76/45/03/1383764503.db2.gz UMVKYEGJXQPUQT-UHFFFAOYSA-N 2 0 340.456 3.033 20 0 EGADRP CC(C)(C)N1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916582 1383772975 /nfs/dbraw/zinc/77/29/75/1383772975.db2.gz PDPMCIODLYVSBC-GOSISDBHSA-N 2 0 329.488 3.484 20 0 EGADRP COc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167963888 1383780753 /nfs/dbraw/zinc/78/07/53/1383780753.db2.gz HHVPHGDMLSBMNY-AYHJJNSGSA-N 2 0 330.472 3.069 20 0 EGADRP CCOC(=O)[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H]1C ZINC001167994447 1383790963 /nfs/dbraw/zinc/79/09/63/1383790963.db2.gz DPBXIOSUZFUBEW-NYJIRUKSSA-N 2 0 334.504 3.055 20 0 EGADRP c1cncc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167995433 1383792146 /nfs/dbraw/zinc/79/21/46/1383792146.db2.gz FHTXANJFZDNVNX-DFNIBXOVSA-N 2 0 341.499 3.330 20 0 EGADRP Cc1ccnn1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002463 1383793472 /nfs/dbraw/zinc/79/34/72/1383793472.db2.gz SXRCKYOPUBICPI-YOFSQIOKSA-N 2 0 328.504 3.234 20 0 EGADRP F[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H]1[NH+]1CCCCC1 ZINC001168004900 1383794018 /nfs/dbraw/zinc/79/40/18/1383794018.db2.gz BMVDBHIVESGGMM-CADMSHOASA-N 2 0 349.538 3.290 20 0 EGADRP C[C@H]1CC([NH2+]CCC(=O)N(C)C2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009239 1383795665 /nfs/dbraw/zinc/79/56/65/1383795665.db2.gz ZLUMKDUCZSDWSU-IRXDYDNUSA-N 2 0 343.515 3.029 20 0 EGADRP COC(=O)C12CC([NH2+]C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)(C1)C2 ZINC001168012401 1383797098 /nfs/dbraw/zinc/79/70/98/1383797098.db2.gz ZOXIEDYCKJLYNU-AJHHTPGJSA-N 2 0 342.483 3.113 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059885 1383806425 /nfs/dbraw/zinc/80/64/25/1383806425.db2.gz VSCZCWBTKOGFTG-MXNKGDRCSA-N 2 0 341.543 3.456 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC[C@@H]3C[NH+](C)C[C@H]32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065701 1383807766 /nfs/dbraw/zinc/80/77/66/1383807766.db2.gz XSWMHSXDDZQZHE-HVYFLLBWSA-N 2 0 341.543 3.454 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001168294966 1383865971 /nfs/dbraw/zinc/86/59/71/1383865971.db2.gz LGSQQSHFLVDFBU-AQFXKWCLSA-N 2 0 337.305 3.379 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168297390 1383866687 /nfs/dbraw/zinc/86/66/87/1383866687.db2.gz PNHWUXWDMPNQHH-HDICACEKSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168302406 1383867220 /nfs/dbraw/zinc/86/72/20/1383867220.db2.gz ROEUBIVSXVZVJX-QGZVFWFLSA-N 2 0 345.531 3.284 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3)CC2)CC1 ZINC001168312490 1383870962 /nfs/dbraw/zinc/87/09/62/1383870962.db2.gz ZSWGPAHIBIPJFM-OFVLBHHSSA-N 2 0 343.515 3.190 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168321121 1383872595 /nfs/dbraw/zinc/87/25/95/1383872595.db2.gz XVENDOWCWJDTFK-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CC1 ZINC001168323795 1383873136 /nfs/dbraw/zinc/87/31/36/1383873136.db2.gz CPUFJYIDUDPKRR-UEKLYDJUSA-N 2 0 327.516 3.066 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)[NH+]1CCCC1 ZINC001168327141 1383874136 /nfs/dbraw/zinc/87/41/36/1383874136.db2.gz SMDIRPDZXFWINC-ACBHZAAOSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001168330550 1383875507 /nfs/dbraw/zinc/87/55/07/1383875507.db2.gz RWYQCIXGCUGBNB-GKYDQMIMSA-N 2 0 327.516 3.066 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001168344487 1383879335 /nfs/dbraw/zinc/87/93/35/1383879335.db2.gz CJTGEILKYBNGHA-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP COc1cc2c(cc1OC)C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168369057 1383885113 /nfs/dbraw/zinc/88/51/13/1383885113.db2.gz VCDIVQPGNLRSLP-IBGZPJMESA-N 2 0 344.499 3.025 20 0 EGADRP CN(C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168371050 1383886080 /nfs/dbraw/zinc/88/60/80/1383886080.db2.gz CGPAORNBDSAMGN-UHFFFAOYSA-N 2 0 341.543 3.457 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC001168369103 1383886197 /nfs/dbraw/zinc/88/61/97/1383886197.db2.gz WORXYADNLSIKCA-KRWDZBQOSA-N 2 0 332.513 3.176 20 0 EGADRP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168416535 1383900896 /nfs/dbraw/zinc/90/08/96/1383900896.db2.gz ZSFMMBMKFNQYOA-HXUWFJFHSA-N 2 0 339.458 3.114 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442950 1383907413 /nfs/dbraw/zinc/90/74/13/1383907413.db2.gz XYFUGHQPGRTJJT-RTWAWAEBSA-N 2 0 346.490 3.258 20 0 EGADRP CCC1(Nc2ccc([C@@H](CC[NH+](C)C)c3ccccn3)cc2)C[NH2+]C1 ZINC001168582459 1383941874 /nfs/dbraw/zinc/94/18/74/1383941874.db2.gz PWMCRCASYLCNSK-LJQANCHMSA-N 2 0 338.499 3.329 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[C@H]([NH+](C)C)CC3)CCO2)cc1 ZINC001168616471 1383949206 /nfs/dbraw/zinc/94/92/06/1383949206.db2.gz NHYCSIYXGJOKOW-SOAMZJECSA-N 2 0 332.488 3.378 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743365 1383988581 /nfs/dbraw/zinc/98/85/81/1383988581.db2.gz KMGRVMJJINMKDP-INIZCTEOSA-N 2 0 327.859 3.333 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001168764292 1383995961 /nfs/dbraw/zinc/99/59/61/1383995961.db2.gz XPTLKWUCRDWQQW-KRWDZBQOSA-N 2 0 347.547 3.483 20 0 EGADRP Fc1cc(OCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC001307874969 1384047673 /nfs/dbraw/zinc/04/76/73/1384047673.db2.gz FXRNEYXSZFIUMU-UHFFFAOYSA-N 2 0 349.837 3.465 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C2 ZINC001169094945 1384106170 /nfs/dbraw/zinc/10/61/70/1384106170.db2.gz NVPOBGRBSXOSTI-XABIJQAGSA-N 2 0 337.508 3.037 20 0 EGADRP Cc1cc(F)cc(CN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169108813 1384108204 /nfs/dbraw/zinc/10/82/04/1384108204.db2.gz CKFLADHVWFVACH-WKCHPHFGSA-N 2 0 345.506 3.313 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)C2 ZINC001169110570 1384108875 /nfs/dbraw/zinc/10/88/75/1384108875.db2.gz MXGLKXPOKKFZRY-BCDXTJNWSA-N 2 0 349.469 3.144 20 0 EGADRP CC1(C)C[C@@H](Nc2ncc(F)c(C3CC[NH2+]CC3)n2)C[C@](C)(C[NH3+])C1 ZINC001169142205 1384112631 /nfs/dbraw/zinc/11/26/31/1384112631.db2.gz LTOMWBLOKUNNMJ-KUHUBIRLSA-N 2 0 349.498 3.038 20 0 EGADRP C[NH+]1CCN(c2ccc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC001169143025 1384113391 /nfs/dbraw/zinc/11/33/91/1384113391.db2.gz JAVYXUGVVIIMFJ-RXVVDRJESA-N 2 0 344.547 3.394 20 0 EGADRP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169163035 1384117745 /nfs/dbraw/zinc/11/77/45/1384117745.db2.gz XCTRTJWDDAIDJX-RDGPPVDQSA-N 2 0 328.456 3.235 20 0 EGADRP C[N@H+](C1CCC([NH3+])CC1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169271479 1384130782 /nfs/dbraw/zinc/13/07/82/1384130782.db2.gz DTNFUECPBQYJJR-UHFFFAOYSA-N 2 0 330.472 3.356 20 0 EGADRP CC1(C)CC[N@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC001308548342 1384132104 /nfs/dbraw/zinc/13/21/04/1384132104.db2.gz PGRUAWWIFOSHQI-UHFFFAOYSA-N 2 0 347.522 3.154 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001169664516 1384170392 /nfs/dbraw/zinc/17/03/92/1384170392.db2.gz OAHYHCIQEBMFPK-PKOBYXMFSA-N 2 0 347.503 3.094 20 0 EGADRP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001170138898 1384245663 /nfs/dbraw/zinc/24/56/63/1384245663.db2.gz SOBLJEYXLAXJKZ-TZMRYXNNSA-N 2 0 342.531 3.247 20 0 EGADRP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239353 1384273654 /nfs/dbraw/zinc/27/36/54/1384273654.db2.gz MKGJCBVVEZXZJV-PLACYPQZSA-N 2 0 328.500 3.398 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(O)cc3)c3ccccc23)CC1 ZINC001170527879 1384336085 /nfs/dbraw/zinc/33/60/85/1384336085.db2.gz BTKYPVQDXMWTMZ-UHFFFAOYSA-N 2 0 335.451 3.302 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001170620660 1384351573 /nfs/dbraw/zinc/35/15/73/1384351573.db2.gz PTEWINGYDPGYJD-ZMSDIMECSA-N 2 0 327.476 3.033 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CCc4cc(F)cc(F)c4C3)CC2)cc[nH+]1 ZINC001170714260 1384372445 /nfs/dbraw/zinc/37/24/45/1384372445.db2.gz CQLMLVFUQXPQIF-KRWDZBQOSA-N 2 0 343.421 3.348 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001170749631 1384377580 /nfs/dbraw/zinc/37/75/80/1384377580.db2.gz AEWWXPSXYMEWFB-ROUUACIJSA-N 2 0 343.531 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001170785684 1384385528 /nfs/dbraw/zinc/38/55/28/1384385528.db2.gz UPXRGINDMVBPRG-FQEVSTJZSA-N 2 0 345.531 3.246 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820061 1384391383 /nfs/dbraw/zinc/39/13/83/1384391383.db2.gz WGAAEDORODQPEK-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]CCCC1CCC1)c1ccccc1 ZINC001170867760 1384401520 /nfs/dbraw/zinc/40/15/20/1384401520.db2.gz MFQQZITYRDQUGM-FQEVSTJZSA-N 2 0 345.531 3.356 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(Cl)nc2cccc(Br)c21 ZINC001170901051 1384408019 /nfs/dbraw/zinc/40/80/19/1384408019.db2.gz VBSCEAIEZJVVBA-GFCCVEGCSA-N 2 0 343.656 3.086 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001171069759 1384441173 /nfs/dbraw/zinc/44/11/73/1384441173.db2.gz USHAGJBQNOESEO-ROUUACIJSA-N 2 0 345.547 3.367 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171120974 1384449778 /nfs/dbraw/zinc/44/97/78/1384449778.db2.gz QLVKOUKRYPYMHB-QUCCMNQESA-N 2 0 345.531 3.326 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171122357 1384450119 /nfs/dbraw/zinc/45/01/19/1384450119.db2.gz ZYMODTIQWAANEC-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1 ZINC001171173416 1384460099 /nfs/dbraw/zinc/46/00/99/1384460099.db2.gz CESIIKNRFRMZLU-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171234309 1384475855 /nfs/dbraw/zinc/47/58/55/1384475855.db2.gz OLZPGKQEWXYOED-IHWFROFDSA-N 2 0 343.515 3.144 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246575 1384477512 /nfs/dbraw/zinc/47/75/12/1384477512.db2.gz FXOIMUBIDIXPFJ-MAUKXSAKSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248201 1384478012 /nfs/dbraw/zinc/47/80/12/1384478012.db2.gz QVVBBHUPLQMHSB-CRAIPNDOSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248381 1384478089 /nfs/dbraw/zinc/47/80/89/1384478089.db2.gz UAJQCVOSQCJLRF-APWZRJJASA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261716 1384481579 /nfs/dbraw/zinc/48/15/79/1384481579.db2.gz ZIMDBCTXJCWLLK-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP COc1ccc(Cl)c2c1C[C@H]([NH+]1CC3(C1)CC[NH+](C)CC3)CC2 ZINC001171326012 1384495056 /nfs/dbraw/zinc/49/50/56/1384495056.db2.gz INJLYEBJKDDDRN-CQSZACIVSA-N 2 0 334.891 3.234 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001316639672 1384499486 /nfs/dbraw/zinc/49/94/86/1384499486.db2.gz NTJYRRSDHRHAOF-FHWLQOOXSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171359402 1384501672 /nfs/dbraw/zinc/50/16/72/1384501672.db2.gz RCUMPTPGOJWKLF-ICSRJNTNSA-N 2 0 347.547 3.346 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509431 1384546634 /nfs/dbraw/zinc/54/66/34/1384546634.db2.gz PYZCWLJTQMYDLJ-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171537535 1384555867 /nfs/dbraw/zinc/55/58/67/1384555867.db2.gz DSKVHJFYMFSIJH-AZUAARDMSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)C2 ZINC001171550777 1384559886 /nfs/dbraw/zinc/55/98/86/1384559886.db2.gz LBEZDAKSNGCGFE-NRFANRHFSA-N 2 0 349.522 3.394 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CCNC(=O)Nc2ccccc2)CC1(C)C ZINC001171622974 1384583046 /nfs/dbraw/zinc/58/30/46/1384583046.db2.gz FRKCOWNFSCKMMI-UHFFFAOYSA-N 2 0 332.492 3.049 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CCC([NH3+])(Cc3ccccn3)CC2)CC1(C)C ZINC001171627328 1384585112 /nfs/dbraw/zinc/58/51/12/1384585112.db2.gz PQMCFNHDWOIJGA-UHFFFAOYSA-N 2 0 344.547 3.069 20 0 EGADRP CC(C)C(=O)N(C)C1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641160 1384589359 /nfs/dbraw/zinc/58/93/59/1384589359.db2.gz NFJXCWJOGNGWEL-UHFFFAOYSA-N 2 0 337.552 3.217 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674657 1384598399 /nfs/dbraw/zinc/59/83/99/1384598399.db2.gz PZGWRYDSJUWSDG-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171692251 1384604159 /nfs/dbraw/zinc/60/41/59/1384604159.db2.gz VRSHFAQYYGCJGT-INIZCTEOSA-N 2 0 330.476 3.259 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171755015 1384625902 /nfs/dbraw/zinc/62/59/02/1384625902.db2.gz LCGGDRWKCNWTQW-WIYYLYMNSA-N 2 0 327.516 3.210 20 0 EGADRP C[C@@H]1C[C@H](N2CCC3(CC2)CC[NH+](C)CC3)C[N@@H+]1Cc1ccccc1 ZINC001171760652 1384627353 /nfs/dbraw/zinc/62/73/53/1384627353.db2.gz YYCZKPOEDWODST-CTNGQTDRSA-N 2 0 341.543 3.457 20 0 EGADRP C[C@H]1C[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001171765271 1384629414 /nfs/dbraw/zinc/62/94/14/1384629414.db2.gz XNGZNAPDCLUCST-TYPHKJRUSA-N 2 0 327.516 3.210 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171769581 1384630111 /nfs/dbraw/zinc/63/01/11/1384630111.db2.gz UOEPNTSVOJUPLV-PBASOCQRSA-N 2 0 345.506 3.158 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCc2cnn(C(C)C)c21 ZINC001329023503 1388933789 /nfs/dbraw/zinc/93/37/89/1388933789.db2.gz JJWZLVQPGPEZAB-KDOFPFPSSA-N 2 0 327.476 3.354 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812295 1384646606 /nfs/dbraw/zinc/64/66/06/1384646606.db2.gz OQWZGHHICPWCJZ-CGZBRXJRSA-N 2 0 342.487 3.259 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171816260 1384648806 /nfs/dbraw/zinc/64/88/06/1384648806.db2.gz HQWTXQMQHNXWNS-LVQVYYBASA-N 2 0 327.513 3.128 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171816259 1384648894 /nfs/dbraw/zinc/64/88/94/1384648894.db2.gz HQWTXQMQHNXWNS-JONQDZQNSA-N 2 0 327.513 3.128 20 0 EGADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829208 1384653175 /nfs/dbraw/zinc/65/31/75/1384653175.db2.gz VEYKZPNLGRABMR-MRXNPFEDSA-N 2 0 339.524 3.368 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171864191 1384664880 /nfs/dbraw/zinc/66/48/80/1384664880.db2.gz NSNYKASAZGNAQL-LJQANCHMSA-N 2 0 331.504 3.003 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCF)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171917681 1384681278 /nfs/dbraw/zinc/68/12/78/1384681278.db2.gz CRSPBBUYXNPQQQ-KRWDZBQOSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)N(CC[NH+](C)C)CC[NH+](C)C ZINC001171972843 1384699205 /nfs/dbraw/zinc/69/92/05/1384699205.db2.gz CWVBNFDCBCGFDX-HNNXBMFYSA-N 2 0 345.453 3.062 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974211 1384700340 /nfs/dbraw/zinc/70/03/40/1384700340.db2.gz DTOYCJKZHSLZKM-OTWHNJEPSA-N 2 0 344.499 3.361 20 0 EGADRP COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974830 1384700558 /nfs/dbraw/zinc/70/05/58/1384700558.db2.gz ATIRWUAOBZPMOQ-FHWLQOOXSA-N 2 0 344.499 3.361 20 0 EGADRP COCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978995 1384702204 /nfs/dbraw/zinc/70/22/04/1384702204.db2.gz JYJAANNEBCNKSN-IBGZPJMESA-N 2 0 334.504 3.072 20 0 EGADRP C[N@H+](CCC1OCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986025 1384703064 /nfs/dbraw/zinc/70/30/64/1384703064.db2.gz FHZDAUKFEOQKOQ-GOSISDBHSA-N 2 0 332.488 3.124 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172004925 1384708270 /nfs/dbraw/zinc/70/82/70/1384708270.db2.gz LJCWUBPHMBXEEU-ATZDWAIDSA-N 2 0 333.520 3.044 20 0 EGADRP CCN1CC[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172029962 1384711408 /nfs/dbraw/zinc/71/14/08/1384711408.db2.gz GMNSCQNLGHSISF-GUDVDZBRSA-N 2 0 335.536 3.150 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CN4CCC2CC4)C3)cc1 ZINC001172060496 1384713924 /nfs/dbraw/zinc/71/39/24/1384713924.db2.gz ASNCAELJHBUSSU-LRSLUSHPSA-N 2 0 339.527 3.256 20 0 EGADRP CN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061592 1384715469 /nfs/dbraw/zinc/71/54/69/1384715469.db2.gz HQBBWLOAWFJWQN-NCYKPQTJSA-N 2 0 327.516 3.256 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063154 1384715572 /nfs/dbraw/zinc/71/55/72/1384715572.db2.gz XBBRXTYPXBQCRM-HGJUEJDCSA-N 2 0 327.516 3.432 20 0 EGADRP O[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069135 1384718501 /nfs/dbraw/zinc/71/85/01/1384718501.db2.gz GSFJRJIDWAGHSP-CMMDMPAISA-N 2 0 328.500 3.465 20 0 EGADRP COc1ccc2c(CC[NH3+])cn([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2c1 ZINC001172118240 1384732645 /nfs/dbraw/zinc/73/26/45/1384732645.db2.gz PRLBEBIZYZUWNY-FVQHAEBGSA-N 2 0 327.472 3.339 20 0 EGADRP Cc1cccnc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172133586 1384739154 /nfs/dbraw/zinc/73/91/54/1384739154.db2.gz TXFWZXRJOBSRRI-FCGDIQPGSA-N 2 0 329.488 3.249 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1)C1CCCCC1 ZINC001316981903 1384739331 /nfs/dbraw/zinc/73/93/31/1384739331.db2.gz RFLCCZBPOFYDGP-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(Cc3cccc(F)c3)CC2)CC1 ZINC001172248678 1384755938 /nfs/dbraw/zinc/75/59/38/1384755938.db2.gz MECPCVHSZBZBAP-UHFFFAOYSA-N 2 0 334.479 3.239 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001172319877 1384768572 /nfs/dbraw/zinc/76/85/72/1384768572.db2.gz UKCLEJXIGFGXDY-MSOLQXFVSA-N 2 0 333.520 3.122 20 0 EGADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C[C@H]1C ZINC001172379163 1384780853 /nfs/dbraw/zinc/78/08/53/1384780853.db2.gz QYJRYGCIWUUPKY-MBOZVWFJSA-N 2 0 349.563 3.076 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@H](C)CCOC(C)C ZINC001172456523 1384797091 /nfs/dbraw/zinc/79/70/91/1384797091.db2.gz OPZTTZZDMTXGQS-LJQANCHMSA-N 2 0 329.573 3.176 20 0 EGADRP CCCC[C@@H]1C[C@H]([NH2+]C2CC([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172627281 1384822568 /nfs/dbraw/zinc/82/25/68/1384822568.db2.gz OEFXBLHUZLHFED-GYTBAZASSA-N 2 0 325.497 3.024 20 0 EGADRP CCCC[C@@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172627279 1384822662 /nfs/dbraw/zinc/82/26/62/1384822662.db2.gz OEFXBLHUZLHFED-BHDPWAOGSA-N 2 0 325.497 3.024 20 0 EGADRP COC(=O)N1CCC([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172734986 1384840211 /nfs/dbraw/zinc/84/02/11/1384840211.db2.gz YMGFSBBJHRXXTN-JCNLHEQBSA-N 2 0 337.508 3.122 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001172795824 1384854031 /nfs/dbraw/zinc/85/40/31/1384854031.db2.gz CEHNOVGMBAZADC-QZTJIDSGSA-N 2 0 336.520 3.353 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001317092902 1384854221 /nfs/dbraw/zinc/85/42/21/1384854221.db2.gz JZRFICYKFVFUSS-IHPCNDPISA-N 2 0 343.515 3.169 20 0 EGADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCC(Cc3ccccc3)CC2)O1 ZINC001172819755 1384858894 /nfs/dbraw/zinc/85/88/94/1384858894.db2.gz LLTMCQAOKBOBJI-DPVAKWRKSA-N 2 0 346.515 3.102 20 0 EGADRP CC[N@@H+]1CCO[C@@H]2CN([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869458 1384869407 /nfs/dbraw/zinc/86/94/07/1384869407.db2.gz ZTTUMUGOCQSGGI-QIIPPGSGSA-N 2 0 340.870 3.063 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172965209 1384891895 /nfs/dbraw/zinc/89/18/95/1384891895.db2.gz YZEYRARLXGMLNV-DLBZAZTESA-N 2 0 341.540 3.473 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CCCCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173055704 1384903026 /nfs/dbraw/zinc/90/30/26/1384903026.db2.gz UMKVZAQEEMWZPK-HOTGVXAUSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC001173082643 1384910394 /nfs/dbraw/zinc/91/03/94/1384910394.db2.gz NRXIPIZAWGXYCD-ZDUSSCGKSA-N 2 0 330.394 3.448 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC001173106680 1384915753 /nfs/dbraw/zinc/91/57/53/1384915753.db2.gz PYJOTEXHJOHPMN-UHFFFAOYSA-N 2 0 332.414 3.188 20 0 EGADRP CCC(CC)[NH+]1CCC(C[NH2+][C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001173150224 1384924261 /nfs/dbraw/zinc/92/42/61/1384924261.db2.gz KMEQQJCIABZPGL-KRWDZBQOSA-N 2 0 346.515 3.489 20 0 EGADRP CCCC[NH+]1CCC(C[NH2+][C@H]2COc3cccc(OC)c3C2)CC1 ZINC001173149848 1384924340 /nfs/dbraw/zinc/92/43/40/1384924340.db2.gz IZRSISIPFBQRJZ-QGZVFWFLSA-N 2 0 332.488 3.100 20 0 EGADRP COc1cccc2c1C[C@H]([N@@H+](Cc1ccccc1)C[C@@H](C)C[NH3+])CO2 ZINC001173165051 1384928114 /nfs/dbraw/zinc/92/81/14/1384928114.db2.gz RKENTQJKHZTMAP-WMZOPIPTSA-N 2 0 340.467 3.096 20 0 EGADRP CC[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001173267018 1384947955 /nfs/dbraw/zinc/94/79/55/1384947955.db2.gz IHWFQLWKBIKHME-IRXDYDNUSA-N 2 0 341.540 3.391 20 0 EGADRP CC[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280987 1384949882 /nfs/dbraw/zinc/94/98/82/1384949882.db2.gz QRGTWSUARNEXMI-OYNPSCLESA-N 2 0 343.515 3.183 20 0 EGADRP CC[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279971 1384950646 /nfs/dbraw/zinc/95/06/46/1384950646.db2.gz NHKBDMNUWNSRJT-OYNPSCLESA-N 2 0 343.515 3.183 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317177572 1384951463 /nfs/dbraw/zinc/95/14/63/1384951463.db2.gz IHXZMHPGFCEOSG-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001173366805 1384966022 /nfs/dbraw/zinc/96/60/22/1384966022.db2.gz BYSZOPJWWAXEKS-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC(C)([NH+]3CCCC3)CC1)CC2 ZINC001173626508 1384991509 /nfs/dbraw/zinc/99/15/09/1384991509.db2.gz JTMISNQEOOVBDD-IDYZSHNDSA-N 2 0 348.531 3.449 20 0 EGADRP CC(C)(C)C[NH+]1CCC(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173664580 1384999556 /nfs/dbraw/zinc/99/95/56/1384999556.db2.gz XZOCEFHVHWRSFA-UHFFFAOYSA-N 2 0 349.485 3.361 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cs1 ZINC001317349495 1385098999 /nfs/dbraw/zinc/09/89/99/1385098999.db2.gz GPHBKIPCGGESAO-SJORKVTESA-N 2 0 349.544 3.058 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)C1 ZINC001174880770 1385164328 /nfs/dbraw/zinc/16/43/28/1385164328.db2.gz HEWBUMXLQALGEJ-MSOLQXFVSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905152 1385168399 /nfs/dbraw/zinc/16/83/99/1385168399.db2.gz GILCMDBSRCYMRF-SQNIBIBYSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174927202 1385170780 /nfs/dbraw/zinc/17/07/80/1385170780.db2.gz BNNPSMQOODPXIS-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174927246 1385171021 /nfs/dbraw/zinc/17/10/21/1385171021.db2.gz BYMPYSLNWPBURF-MRXNPFEDSA-N 2 0 337.508 3.266 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174947738 1385173076 /nfs/dbraw/zinc/17/30/76/1385173076.db2.gz DHQATQYQBDWLDM-ZWKOTPCHSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCC[NH+](C)C ZINC001174963055 1385175728 /nfs/dbraw/zinc/17/57/28/1385175728.db2.gz YBMUBYNIHYCQGK-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CCC1CC1 ZINC001317484654 1385181669 /nfs/dbraw/zinc/18/16/69/1385181669.db2.gz RQPLLZMYFHFMHF-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](CCCC[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001175049675 1385186378 /nfs/dbraw/zinc/18/63/78/1385186378.db2.gz WXJIEOOSBUKMMV-CVEARBPZSA-N 2 0 347.494 3.028 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001175262988 1385233728 /nfs/dbraw/zinc/23/37/28/1385233728.db2.gz MNPHVNTUTILHCN-OALUTQOASA-N 2 0 345.531 3.101 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581207 1385338862 /nfs/dbraw/zinc/33/88/62/1385338862.db2.gz IZMAIKHIKOXBTA-DUMMIQTOSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001317673313 1385379584 /nfs/dbraw/zinc/37/95/84/1385379584.db2.gz BTOKRGDHXMFTTH-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001175767246 1385399130 /nfs/dbraw/zinc/39/91/30/1385399130.db2.gz DJRGZMUPIQHMKN-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175871411 1385426368 /nfs/dbraw/zinc/42/63/68/1385426368.db2.gz CCWGMFIJUOYTEM-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874764 1385427656 /nfs/dbraw/zinc/42/76/56/1385427656.db2.gz WALBVBXRCRGBHD-XBMUEBEBSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC[C@H](C)F)CC1 ZINC001175968011 1385447854 /nfs/dbraw/zinc/44/78/54/1385447854.db2.gz SLTJOUGFOMXQDF-DLBZAZTESA-N 2 0 343.531 3.120 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185021 1385504821 /nfs/dbraw/zinc/50/48/21/1385504821.db2.gz RRJCEEYYYHSCQX-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192614 1385508207 /nfs/dbraw/zinc/50/82/07/1385508207.db2.gz NRTYLNUFYYVUOX-HZPDHXFCSA-N 2 0 334.508 3.072 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192593 1385508283 /nfs/dbraw/zinc/50/82/83/1385508283.db2.gz MZSZTNUVESTZER-TUYSUELWSA-N 2 0 346.519 3.382 20 0 EGADRP C[C@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001176230909 1385521071 /nfs/dbraw/zinc/52/10/71/1385521071.db2.gz ORSRGTPMDJGSEO-LJQANCHMSA-N 2 0 347.547 3.226 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2C[NH+](CC3CCCCCC3)C2)CCCCC1 ZINC001318047618 1385616299 /nfs/dbraw/zinc/61/62/99/1385616299.db2.gz LNRQGRXAPCGCEV-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001176563138 1385625524 /nfs/dbraw/zinc/62/55/24/1385625524.db2.gz BCTBPOLDHQMLFD-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H]([NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001176591123 1385634462 /nfs/dbraw/zinc/63/44/62/1385634462.db2.gz HSGIWSGIASALBS-ICSRJNTNSA-N 2 0 345.531 3.498 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318410586 1385678419 /nfs/dbraw/zinc/67/84/19/1385678419.db2.gz UIFNXFMVKKTIAW-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001176752959 1385682939 /nfs/dbraw/zinc/68/29/39/1385682939.db2.gz BOWGOLKXYHYOJQ-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754207 1385683805 /nfs/dbraw/zinc/68/38/05/1385683805.db2.gz SZVJXLSTNJUXIS-SFHVURJKSA-N 2 0 347.547 3.354 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176753725 1385683882 /nfs/dbraw/zinc/68/38/82/1385683882.db2.gz LRXWROPNSKOCFK-OALUTQOASA-N 2 0 339.568 3.418 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001318483640 1385715201 /nfs/dbraw/zinc/71/52/01/1385715201.db2.gz GHJLCPWKNFHZML-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001318487945 1385720676 /nfs/dbraw/zinc/72/06/76/1385720676.db2.gz YEYVFGPATITGHD-HSALFYBXSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001176844193 1385722712 /nfs/dbraw/zinc/72/27/12/1385722712.db2.gz GDKPYIIPBXLIRU-HDICACEKSA-N 2 0 345.531 3.279 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001176884739 1385731703 /nfs/dbraw/zinc/73/17/03/1385731703.db2.gz RBOFLJSQRUHTPF-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001176936878 1385748661 /nfs/dbraw/zinc/74/86/61/1385748661.db2.gz FGXANTCOJIJCQE-MOPGFXCFSA-N 2 0 337.552 3.175 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001176986516 1385764044 /nfs/dbraw/zinc/76/40/44/1385764044.db2.gz QFGYOTNZDZADRP-FQEVSTJZSA-N 2 0 345.531 3.109 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001176986841 1385764927 /nfs/dbraw/zinc/76/49/27/1385764927.db2.gz WYXLYBJRBFXKCA-MJGOQNOKSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001176992695 1385767350 /nfs/dbraw/zinc/76/73/50/1385767350.db2.gz XUFCPGATRBCMCM-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176997088 1385767905 /nfs/dbraw/zinc/76/79/05/1385767905.db2.gz IKZXUIOJRQAEKQ-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997338 1385767969 /nfs/dbraw/zinc/76/79/69/1385767969.db2.gz KUACMOANUHGCNZ-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP C[N@H+](CC(=O)NC1(C[NH2+]CC2CCCCC2)CCCC1)C1CCC1 ZINC001318636169 1385808538 /nfs/dbraw/zinc/80/85/38/1385808538.db2.gz FACAGNITFJGZMI-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(N(CCC[NH2+]CC1CC1)CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001177356833 1385927585 /nfs/dbraw/zinc/92/75/85/1385927585.db2.gz LPFMWHUNEXXDSP-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001177379197 1385935350 /nfs/dbraw/zinc/93/53/50/1385935350.db2.gz VUYOJHXAVMAHKH-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001177466944 1385967537 /nfs/dbraw/zinc/96/75/37/1385967537.db2.gz LYJXIPDMWQBFIV-HXUWFJFHSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCC1 ZINC001319377172 1386090770 /nfs/dbraw/zinc/09/07/70/1386090770.db2.gz KBPMRXJJCAMZQK-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001178045920 1386115753 /nfs/dbraw/zinc/11/57/53/1386115753.db2.gz ZJAJCFRAHKJJBB-QUCCMNQESA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001178153037 1386144547 /nfs/dbraw/zinc/14/45/47/1386144547.db2.gz YMKGXNKXKZEDMZ-MJGOQNOKSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178471638 1386227457 /nfs/dbraw/zinc/22/74/57/1386227457.db2.gz GTVLQIGDNJFNOL-GOSISDBHSA-N 2 0 325.541 3.172 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001178502856 1386237230 /nfs/dbraw/zinc/23/72/30/1386237230.db2.gz ZTTPTDAQSDUEAS-FQEVSTJZSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178693240 1386279563 /nfs/dbraw/zinc/27/95/63/1386279563.db2.gz MKDRPHUWKJZJNS-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178701964 1386283501 /nfs/dbraw/zinc/28/35/01/1386283501.db2.gz HBTTVWFFOUDGGG-AATRIKPKSA-N 2 0 337.552 3.483 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CC1CCCCC1)C1CCC1 ZINC001178705106 1386284333 /nfs/dbraw/zinc/28/43/33/1386284333.db2.gz DWDQDXUBKBWTHA-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001319810706 1386308964 /nfs/dbraw/zinc/30/89/64/1386308964.db2.gz SCMBVXPEBNVDES-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178810418 1386314053 /nfs/dbraw/zinc/31/40/53/1386314053.db2.gz FROGRAGJUPTKLF-OALUTQOASA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178890020 1386339653 /nfs/dbraw/zinc/33/96/53/1386339653.db2.gz FOWVUAMZQHJLJI-NEPBSLMDSA-N 2 0 335.536 3.185 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCC2 ZINC001178916645 1386347880 /nfs/dbraw/zinc/34/78/80/1386347880.db2.gz LBCCCWGFIJDPFB-VQTJNVASSA-N 2 0 344.499 3.208 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)CC1=CCCCC1 ZINC001319875635 1386352029 /nfs/dbraw/zinc/35/20/29/1386352029.db2.gz XEGBCHSMHQWMME-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001319880905 1386356511 /nfs/dbraw/zinc/35/65/11/1386356511.db2.gz NQKKOCYDWFEGJV-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1nc(-c2ccccc2)n(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC001319880367 1386356735 /nfs/dbraw/zinc/35/67/35/1386356735.db2.gz UKYBLMPLSYUDGR-UHFFFAOYSA-N 2 0 341.503 3.265 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CCC2CC2)CC1 ZINC001319880156 1386357096 /nfs/dbraw/zinc/35/70/96/1386357096.db2.gz IDYDECSPRGINQR-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c(C)c1 ZINC001319915316 1386387985 /nfs/dbraw/zinc/38/79/85/1386387985.db2.gz ABFGYYDOQCZREW-FQEVSTJZSA-N 2 0 345.531 3.018 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179079849 1386394313 /nfs/dbraw/zinc/39/43/13/1386394313.db2.gz VGMYFBVUVCSYRW-KCVJVMPHSA-N 2 0 340.471 3.273 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179134683 1386407361 /nfs/dbraw/zinc/40/73/61/1386407361.db2.gz QSQYMPHDZQMQTF-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001179383192 1386468289 /nfs/dbraw/zinc/46/82/89/1386468289.db2.gz PSRSQIJFUGLMOH-JEVOJNTISA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(CC)CC)[C@@H]2C)C1 ZINC001179388974 1386472371 /nfs/dbraw/zinc/47/23/71/1386472371.db2.gz VYDBSDJELLWTRH-UHOSZYNNSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)cc1C ZINC001179403204 1386476679 /nfs/dbraw/zinc/47/66/79/1386476679.db2.gz MEBUTYWINCPHLZ-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001179499215 1386499030 /nfs/dbraw/zinc/49/90/30/1386499030.db2.gz PDVDEKGSTYGXDB-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179587145 1386524262 /nfs/dbraw/zinc/52/42/62/1386524262.db2.gz WKRNAXNFOQIBNS-SFHVURJKSA-N 2 0 345.531 3.103 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179585494 1386524515 /nfs/dbraw/zinc/52/45/15/1386524515.db2.gz JEFVUJCFCZRHAS-GOSISDBHSA-N 2 0 325.541 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001320169276 1386545841 /nfs/dbraw/zinc/54/58/41/1386545841.db2.gz CNHCBICJOQFVQI-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C1(C)C ZINC001320258031 1386564666 /nfs/dbraw/zinc/56/46/66/1386564666.db2.gz FFFHOBOJYJLTNR-PMACEKPBSA-N 2 0 345.531 3.120 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749777 1386571394 /nfs/dbraw/zinc/57/13/94/1386571394.db2.gz UBUQPLBVCHGNCO-KRWDZBQOSA-N 2 0 325.541 3.031 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)CC1 ZINC001179824744 1386597300 /nfs/dbraw/zinc/59/73/00/1386597300.db2.gz DKOAKWOQSYJSIE-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179851229 1386607440 /nfs/dbraw/zinc/60/74/40/1386607440.db2.gz ZBXZJSPVRONSGK-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179892050 1386620253 /nfs/dbraw/zinc/62/02/53/1386620253.db2.gz PLLKNULEFFDQOG-SNAWJCMRSA-N 2 0 337.552 3.341 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]C[C@@H](F)CC)[C@@H]1C ZINC001179903651 1386622971 /nfs/dbraw/zinc/62/29/71/1386622971.db2.gz YREUYCUDPNQBMY-BZSNNMDCSA-N 2 0 343.531 3.216 20 0 EGADRP CC[NH2+]C[C@]1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC[C@H]1C ZINC001698659011 1406309204 /nfs/dbraw/zinc/30/92/04/1406309204.db2.gz BQNZQDLXIKNGAK-OXQOHEQNSA-N 2 0 331.504 3.036 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179964982 1386651318 /nfs/dbraw/zinc/65/13/18/1386651318.db2.gz PWRYLOIWAWDEML-GOSISDBHSA-N 2 0 343.531 3.121 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001180024408 1386672791 /nfs/dbraw/zinc/67/27/91/1386672791.db2.gz PVHYZWKFSXXMMZ-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1 ZINC001180061185 1386683798 /nfs/dbraw/zinc/68/37/98/1386683798.db2.gz ZOQCNSRNEUBDHS-QGZVFWFLSA-N 2 0 325.541 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001180121754 1386704121 /nfs/dbraw/zinc/70/41/21/1386704121.db2.gz UXDWUZSMPDIDCS-KAMYIIQDSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001180123235 1386704176 /nfs/dbraw/zinc/70/41/76/1386704176.db2.gz CALXLAKAYCYPMV-CEXWTWQISA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180123260 1386704268 /nfs/dbraw/zinc/70/42/68/1386704268.db2.gz DDBIJENLSSYLCO-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001180260139 1386749229 /nfs/dbraw/zinc/74/92/29/1386749229.db2.gz UQHISNDIWSVRPN-LJQANCHMSA-N 2 0 345.531 3.021 20 0 EGADRP C[C@H](F)CC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180294679 1386758046 /nfs/dbraw/zinc/75/80/46/1386758046.db2.gz QWGFIGRRQNVZDN-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001180351723 1386771693 /nfs/dbraw/zinc/77/16/93/1386771693.db2.gz IMWJVNZGBUDIKX-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001180352045 1386771704 /nfs/dbraw/zinc/77/17/04/1386771704.db2.gz MPJHSXJJZVDWBE-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001321188271 1386835355 /nfs/dbraw/zinc/83/53/55/1386835355.db2.gz GXQORXOBGBYYBK-WYIDIVSCSA-N 2 0 349.906 3.147 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001180809596 1386878222 /nfs/dbraw/zinc/87/82/22/1386878222.db2.gz GQSOJODMJUFZOP-ARFHVFGLSA-N 2 0 346.462 3.208 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)C1CCSCC1 ZINC001321494714 1386916646 /nfs/dbraw/zinc/91/66/46/1386916646.db2.gz GESVEJRBMXMYOE-MRXNPFEDSA-N 2 0 333.545 3.060 20 0 EGADRP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)Cc2ccccc2)CC1 ZINC001181140990 1386944517 /nfs/dbraw/zinc/94/45/17/1386944517.db2.gz CFDQWQUBPFAWLN-BGYRXZFFSA-N 2 0 345.531 3.278 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181904740 1387074278 /nfs/dbraw/zinc/07/42/78/1387074278.db2.gz VDRJXIINGPKCMP-WSTZPKSXSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001181959040 1387082596 /nfs/dbraw/zinc/08/25/96/1387082596.db2.gz LHVFTYMHBPYTDL-OXQOHEQNSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(O)(C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)CC1 ZINC001182037224 1387097287 /nfs/dbraw/zinc/09/72/87/1387097287.db2.gz ZXBTZIPHZCZILT-UHFFFAOYSA-N 2 0 344.480 3.028 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182116130 1387107554 /nfs/dbraw/zinc/10/75/54/1387107554.db2.gz DPPVHMIAHOENRL-JXXFODFXSA-N 2 0 342.487 3.068 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322229281 1387110783 /nfs/dbraw/zinc/11/07/83/1387110783.db2.gz AAHNOYNUSHPVID-MAUKXSAKSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001182807329 1387228133 /nfs/dbraw/zinc/22/81/33/1387228133.db2.gz QUCAVSLNZDRKTA-SFHLNBCPSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CC1CCCCCC1 ZINC001329624101 1389189718 /nfs/dbraw/zinc/18/97/18/1389189718.db2.gz OFYAQVWYVMBQJS-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2n2cncn2)CC1 ZINC001330354870 1389396138 /nfs/dbraw/zinc/39/61/38/1389396138.db2.gz QEYVVHGUKIRFKG-QRQLOZEOSA-N 2 0 333.524 3.108 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001331031525 1389604006 /nfs/dbraw/zinc/60/40/06/1389604006.db2.gz WNOUIPUVCLHQRI-MJGOQNOKSA-N 2 0 339.568 3.178 20 0 EGADRP C[NH2+]CCCC(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001331032669 1389604739 /nfs/dbraw/zinc/60/47/39/1389604739.db2.gz MGFMSGWSRHHPRI-UHFFFAOYSA-N 2 0 343.393 3.239 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cnn(C(C)(C)C)c1C ZINC001339095009 1389897289 /nfs/dbraw/zinc/89/72/89/1389897289.db2.gz QKFRBZSGSPQZOD-UHFFFAOYSA-N 2 0 338.415 3.088 20 0 EGADRP Cc1c(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)ccc2c[nH+]cn21 ZINC001332009174 1389943424 /nfs/dbraw/zinc/94/34/24/1389943424.db2.gz FLTGQPQECLSWNT-SFHVURJKSA-N 2 0 348.450 3.166 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001332184738 1390028192 /nfs/dbraw/zinc/02/81/92/1390028192.db2.gz KQNMOPUTMNINNK-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]([NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC001332839876 1390198126 /nfs/dbraw/zinc/19/81/26/1390198126.db2.gz BEILKRWPSFAJBG-AEFFLSMTSA-N 2 0 333.520 3.210 20 0 EGADRP [NH3+]C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCCC1 ZINC001340871582 1390390077 /nfs/dbraw/zinc/39/00/77/1390390077.db2.gz IOXONKCDYSDNQX-RTBURBONSA-N 2 0 335.536 3.009 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc1OC ZINC001333841890 1390420428 /nfs/dbraw/zinc/42/04/28/1390420428.db2.gz OZADHKHMQDOYOC-RCCFBDPRSA-N 2 0 332.488 3.256 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc1 ZINC001341645562 1390513467 /nfs/dbraw/zinc/51/34/67/1390513467.db2.gz ZOHNJYHJVPIJAZ-KRWDZBQOSA-N 2 0 335.492 3.109 20 0 EGADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001342374942 1390606521 /nfs/dbraw/zinc/60/65/21/1390606521.db2.gz RNSVOLGEQNOMCE-LJQANCHMSA-N 2 0 345.531 3.168 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)C1CCSCC1 ZINC001343090446 1390690720 /nfs/dbraw/zinc/69/07/20/1390690720.db2.gz UONWGXBTHAAWBH-KRWDZBQOSA-N 2 0 347.572 3.055 20 0 EGADRP O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001343532585 1390720828 /nfs/dbraw/zinc/72/08/28/1390720828.db2.gz IZKPTIIAQLYXSC-HZPDHXFCSA-N 2 0 332.444 3.049 20 0 EGADRP Cc1nc([C@H](C)NCc2ccccc2N2CC[NH+](C)CC2)cs1 ZINC001347434913 1391074611 /nfs/dbraw/zinc/07/46/11/1391074611.db2.gz KZFVXIWLWQARRM-AWEZNQCLSA-N 2 0 330.501 3.054 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001351798904 1391692197 /nfs/dbraw/zinc/69/21/97/1391692197.db2.gz FATZOWIFNDIWFF-SFHVURJKSA-N 2 0 329.488 3.178 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001488741152 1391712918 /nfs/dbraw/zinc/71/29/18/1391712918.db2.gz NMICQTXMTXSUQU-HDICACEKSA-N 2 0 349.563 3.172 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001353899260 1392106455 /nfs/dbraw/zinc/10/64/55/1392106455.db2.gz JHEXSEACFSBESX-GHMZBOCLSA-N 2 0 336.329 3.249 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001698845890 1406546524 /nfs/dbraw/zinc/54/65/24/1406546524.db2.gz QNMSBJVXESOIRD-QZTJIDSGSA-N 2 0 347.547 3.470 20 0 EGADRP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnnn1C ZINC001354257342 1392133670 /nfs/dbraw/zinc/13/36/70/1392133670.db2.gz PKVYOVPMIBREIN-UXDRXVOSSA-N 2 0 339.487 3.051 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479829180 1392415957 /nfs/dbraw/zinc/41/59/57/1392415957.db2.gz KEGKJVPHPMYRKJ-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001479894643 1392463576 /nfs/dbraw/zinc/46/35/76/1392463576.db2.gz YMQLNLKXBFXRFI-HXUWFJFHSA-N 2 0 343.515 3.012 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2)C1CCC1 ZINC001479980183 1392514084 /nfs/dbraw/zinc/51/40/84/1392514084.db2.gz FEMLESLQRWIFKD-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP CCCN(C(=O)c1ccc2c[nH+]cn2c1C)C1CC[NH+](CCC)CC1 ZINC001479993483 1392525450 /nfs/dbraw/zinc/52/54/50/1392525450.db2.gz QTYVGBYBJLZLJI-UHFFFAOYSA-N 2 0 342.487 3.369 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCC)CC1 ZINC001479996394 1392528177 /nfs/dbraw/zinc/52/81/77/1392528177.db2.gz HBWJMTNDSSBNFS-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264249 1392648487 /nfs/dbraw/zinc/64/84/87/1392648487.db2.gz BWKKYQHDOMDRRF-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP CCc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001480333336 1392692663 /nfs/dbraw/zinc/69/26/63/1392692663.db2.gz RGWWJUKNVWWSEQ-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC001480382661 1392725957 /nfs/dbraw/zinc/72/59/57/1392725957.db2.gz MIAPHVWKTGRRRQ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001480536955 1392783671 /nfs/dbraw/zinc/78/36/71/1392783671.db2.gz KZMHQBCEXNHFFV-HNNXBMFYSA-N 2 0 345.487 3.005 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001480536957 1392783822 /nfs/dbraw/zinc/78/38/22/1392783822.db2.gz KZMHQBCEXNHFFV-OAHLLOKOSA-N 2 0 345.487 3.005 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001480575686 1392798576 /nfs/dbraw/zinc/79/85/76/1392798576.db2.gz UHNPCDSFVVKQTK-BEFAXECRSA-N 2 0 349.494 3.029 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480615950 1392821257 /nfs/dbraw/zinc/82/12/57/1392821257.db2.gz QIWMXNHVVJEXCC-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001480770556 1392923184 /nfs/dbraw/zinc/92/31/84/1392923184.db2.gz VZURGMRQRRDDFN-WMZOPIPTSA-N 2 0 331.504 3.106 20 0 EGADRP CC1CC[NH+](CC(=O)NCC[N@H+](C)CCC2CCCCCC2)CC1 ZINC001480927295 1393025114 /nfs/dbraw/zinc/02/51/14/1393025114.db2.gz HTBUVIVZGPWTFW-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480973959 1393059199 /nfs/dbraw/zinc/05/91/99/1393059199.db2.gz BYGVDRBVUXVFBJ-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C)c(C)c1 ZINC001481018746 1393094902 /nfs/dbraw/zinc/09/49/02/1393094902.db2.gz GUTHKIRYDAIWQK-UHFFFAOYSA-N 2 0 345.531 3.118 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001481121270 1393125457 /nfs/dbraw/zinc/12/54/57/1393125457.db2.gz WTUDEGZWMWVTBO-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC(C)C ZINC001481144279 1393132370 /nfs/dbraw/zinc/13/23/70/1393132370.db2.gz FFCQBTXZVFXZLW-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccc(F)cc1 ZINC001481319729 1393163201 /nfs/dbraw/zinc/16/32/01/1393163201.db2.gz LXMZJISJUAWDFQ-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001490579219 1394272614 /nfs/dbraw/zinc/27/26/14/1394272614.db2.gz KIXKZEPUPFHZKA-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001481444197 1394296698 /nfs/dbraw/zinc/29/66/98/1394296698.db2.gz KJRKQPGAGQAHIW-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC(C[N@H+](C)CCC2CCCC2)CC1 ZINC001481517433 1394366548 /nfs/dbraw/zinc/36/65/48/1394366548.db2.gz JWKXAAYGNLOSFV-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001490950099 1394383371 /nfs/dbraw/zinc/38/33/71/1394383371.db2.gz YQESYPGMZOHAGW-NCXUSEDFSA-N 2 0 349.494 3.100 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001482339084 1394907028 /nfs/dbraw/zinc/90/70/28/1394907028.db2.gz NJAVHLJVBMIBDW-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C(C)C)[NH+](C)C ZINC001482354613 1394918201 /nfs/dbraw/zinc/91/82/01/1394918201.db2.gz RUCLXEZRVADUNJ-APWZRJJASA-N 2 0 333.520 3.087 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001484769006 1395525802 /nfs/dbraw/zinc/52/58/02/1395525802.db2.gz KNQGHLBFUJGZQI-IBGZPJMESA-N 2 0 345.531 3.404 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001484983681 1395625015 /nfs/dbraw/zinc/62/50/15/1395625015.db2.gz XBSXMQOEBNJBAL-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C)[C@H](C)C1 ZINC001484985248 1395628602 /nfs/dbraw/zinc/62/86/02/1395628602.db2.gz DOCCKPDCDUBGAL-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CCC(CC)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001687428800 1396370116 /nfs/dbraw/zinc/37/01/16/1396370116.db2.gz RASAXOXYQMSFEB-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001494593211 1396480422 /nfs/dbraw/zinc/48/04/22/1396480422.db2.gz PQZFFQKDNBMIME-HNAYVOBHSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001496155781 1396615605 /nfs/dbraw/zinc/61/56/05/1396615605.db2.gz VTGNOYSRIGBACI-PBHICJAKSA-N 2 0 347.528 3.178 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001497330355 1396749952 /nfs/dbraw/zinc/74/99/52/1396749952.db2.gz GZHBRQPJNFXDPC-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)CC1CC[NH+](C)CC1 ZINC001497464129 1396758173 /nfs/dbraw/zinc/75/81/73/1396758173.db2.gz KBDIVTSKLKNRKO-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498368708 1396977216 /nfs/dbraw/zinc/97/72/16/1396977216.db2.gz WIPVANWYESDXNE-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)C1)CC(C)(C)C ZINC001690046783 1404280814 /nfs/dbraw/zinc/28/08/14/1404280814.db2.gz PEKGWBBFDURYNB-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690501380 1404614212 /nfs/dbraw/zinc/61/42/12/1404614212.db2.gz KKNCJUIADVLAAZ-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001690606395 1404649743 /nfs/dbraw/zinc/64/97/43/1404649743.db2.gz MEKORFVQUDNLPC-QZTJIDSGSA-N 2 0 345.531 3.497 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690824389 1404760986 /nfs/dbraw/zinc/76/09/86/1404760986.db2.gz CJKUKVYDEYIVQP-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691065803 1404992090 /nfs/dbraw/zinc/99/20/90/1404992090.db2.gz GLIKJBLNLZSVMI-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001691990141 1405703283 /nfs/dbraw/zinc/70/32/83/1405703283.db2.gz VVFSNKIWEWIBMM-IAGOWNOFSA-N 2 0 349.494 3.009 20 0 EGADRP Cc1nc[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC001692098096 1405770526 /nfs/dbraw/zinc/77/05/26/1405770526.db2.gz XWSCWCLDIZODKZ-RYRKJORJSA-N 2 0 348.535 3.160 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001731912011 1428168194 /nfs/dbraw/zinc/16/81/94/1428168194.db2.gz XXLYEMIOELXRMT-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1C ZINC001732032529 1428249688 /nfs/dbraw/zinc/24/96/88/1428249688.db2.gz XXXDAFNZWXCOHT-QRVBRYPASA-N 2 0 343.515 3.073 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001732058366 1428303853 /nfs/dbraw/zinc/30/38/53/1428303853.db2.gz FJKLDSMNIXYFEF-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1C ZINC001732222845 1428471699 /nfs/dbraw/zinc/47/16/99/1428471699.db2.gz ORXCQRJBVVINRM-OALUTQOASA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001732280790 1428512582 /nfs/dbraw/zinc/51/25/82/1428512582.db2.gz DOAOTSMHDNUXOH-RBUKOAKNSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+][C@@H](C)c1ccccc1 ZINC001732362520 1428548808 /nfs/dbraw/zinc/54/88/08/1428548808.db2.gz XHSVETMGLACSHA-IRXDYDNUSA-N 2 0 333.520 3.067 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CCC2CC2)CCCC1)[NH+]1CCCCCC1 ZINC001732397215 1428564409 /nfs/dbraw/zinc/56/44/09/1428564409.db2.gz QYFFPJHNWAQZCN-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1)[NH+](CC)CC ZINC001732404286 1428568294 /nfs/dbraw/zinc/56/82/94/1428568294.db2.gz ZXCPXSLUEXDDRT-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001699425439 1412740454 /nfs/dbraw/zinc/74/04/54/1412740454.db2.gz LDBJLKVWXHAISA-DLBZAZTESA-N 2 0 347.547 3.481 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001699474549 1412865716 /nfs/dbraw/zinc/86/57/16/1412865716.db2.gz QGBFXXOAKGAQBI-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001699651614 1413034157 /nfs/dbraw/zinc/03/41/57/1413034157.db2.gz SXFYJJBNCVKXDU-LJQANCHMSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@H+](CCC(=O)NCC1([NH2+]CC2CCCCC2)CC1)C1CCCCC1 ZINC001699661429 1413045267 /nfs/dbraw/zinc/04/52/67/1413045267.db2.gz RJOYULLVIGPPHU-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001699687543 1413088172 /nfs/dbraw/zinc/08/81/72/1413088172.db2.gz DQHHDFOXHPHIFA-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](c1ccccc1F)[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001699772362 1413180283 /nfs/dbraw/zinc/18/02/83/1413180283.db2.gz HFKDHVKKJMMOLR-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001699828166 1413256402 /nfs/dbraw/zinc/25/64/02/1413256402.db2.gz YWJZBKWGILNAEI-JXFKEZNVSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001699849513 1413278928 /nfs/dbraw/zinc/27/89/28/1413278928.db2.gz USTXANWAWDWKAX-UZLBHIALSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1(C)CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001699864344 1413300505 /nfs/dbraw/zinc/30/05/05/1413300505.db2.gz RSJRJEIVGAWHNF-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001699877380 1413337923 /nfs/dbraw/zinc/33/79/23/1413337923.db2.gz WRKFJUWRYOOYBA-RXVVDRJESA-N 2 0 345.531 3.308 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700097201 1413513663 /nfs/dbraw/zinc/51/36/63/1413513663.db2.gz COXXVKIJRBQQKW-NXWXRZEISA-N 2 0 337.552 3.027 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001700183793 1413600741 /nfs/dbraw/zinc/60/07/41/1413600741.db2.gz HCLHCDUZQKHRFS-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001700314440 1413770068 /nfs/dbraw/zinc/77/00/68/1413770068.db2.gz SZTLFWFXHBZMTN-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2c(C)cccc2C)[C@H](C)C1 ZINC001700320785 1413786440 /nfs/dbraw/zinc/78/64/40/1413786440.db2.gz ROSYKNBPVWMQKG-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001700364227 1413883909 /nfs/dbraw/zinc/88/39/09/1413883909.db2.gz PLDHUAQPJYUUJE-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CCC(C)(C)CC1)C(=O)Cc1cnc[nH]1 ZINC001700446612 1414023030 /nfs/dbraw/zinc/02/30/30/1414023030.db2.gz UFCQQWPBAUHTBT-UHFFFAOYSA-N 2 0 348.535 3.243 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1C/C=C/Cl)CC(C)(C)C ZINC001700524894 1414184853 /nfs/dbraw/zinc/18/48/53/1414184853.db2.gz AOHUBIIIAPNNFB-XAVKZTDYSA-N 2 0 343.943 3.078 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700527731 1414191970 /nfs/dbraw/zinc/19/19/70/1414191970.db2.gz ZEGIBUFROXVNGV-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001732593045 1428819440 /nfs/dbraw/zinc/81/94/40/1428819440.db2.gz SMZWAKHDNOSUAY-UHFFFAOYSA-N 2 0 347.547 3.172 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001732703816 1428917234 /nfs/dbraw/zinc/91/72/34/1428917234.db2.gz YVHMBWDBZSFYLS-IRXDYDNUSA-N 2 0 331.504 3.025 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732774463 1428962079 /nfs/dbraw/zinc/96/20/79/1428962079.db2.gz DSZBRRUDFPUBFQ-ICSRJNTNSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001707088434 1417195145 /nfs/dbraw/zinc/19/51/45/1417195145.db2.gz SZZLVYLMXZBQEM-BZSNNMDCSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001733046512 1429179238 /nfs/dbraw/zinc/17/92/38/1429179238.db2.gz YQBVRFIFWXCJOL-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001713094287 1417642691 /nfs/dbraw/zinc/64/26/91/1417642691.db2.gz BCMSJLNOEIJGRE-IEBWSBKVSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001713179854 1417753455 /nfs/dbraw/zinc/75/34/55/1417753455.db2.gz SDIPSPMPUCCXJS-AYHJJNSGSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713236356 1417822751 /nfs/dbraw/zinc/82/27/51/1417822751.db2.gz CXEWDBLJXSOEOV-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1)C1CCC1 ZINC001713252509 1417844978 /nfs/dbraw/zinc/84/49/78/1417844978.db2.gz ARPQVDNHSYSQHA-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CCC1CCCC1 ZINC001713313317 1417937865 /nfs/dbraw/zinc/93/78/65/1417937865.db2.gz IBLSVEXOTIXZSV-CQSZACIVSA-N 2 0 337.533 3.098 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001713328742 1417953204 /nfs/dbraw/zinc/95/32/04/1417953204.db2.gz ZHYARDITAGGUAQ-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cccc([C@@H](C)[NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001713459835 1418114623 /nfs/dbraw/zinc/11/46/23/1418114623.db2.gz OPWIOVDKXSRFRA-QUCCMNQESA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001733084313 1429236822 /nfs/dbraw/zinc/23/68/22/1429236822.db2.gz SKZGTAPSTQWYGR-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC23CC[NH+](CCCC(C)(C)C)CC3)CC1 ZINC001713850417 1418646306 /nfs/dbraw/zinc/64/63/06/1418646306.db2.gz NWJYANCMLDHLKF-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CCCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC2CCC2)CC1 ZINC001713858705 1418655695 /nfs/dbraw/zinc/65/56/95/1418655695.db2.gz SNJWHEHOVGCVNN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001714139510 1418941929 /nfs/dbraw/zinc/94/19/29/1418941929.db2.gz FQVXZLPHMJQHJM-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](CC)c1ccccc1 ZINC001714140115 1418942574 /nfs/dbraw/zinc/94/25/74/1418942574.db2.gz XFANZKJSOWAZST-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001714145708 1418950065 /nfs/dbraw/zinc/95/00/65/1418950065.db2.gz RFMOSTVUPUEBJZ-MOPGFXCFSA-N 2 0 346.519 3.309 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001714152062 1418959216 /nfs/dbraw/zinc/95/92/16/1418959216.db2.gz XHPXFSOZFHCZAF-MSOLQXFVSA-N 2 0 343.515 3.026 20 0 EGADRP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001714218319 1419014768 /nfs/dbraw/zinc/01/47/68/1419014768.db2.gz KKPSCZFEJCIBRJ-GOSISDBHSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714237262 1419027279 /nfs/dbraw/zinc/02/72/79/1419027279.db2.gz XNRAEJCJGBZDFX-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2c(C)cccc2C)CCCC1 ZINC001714510364 1419238173 /nfs/dbraw/zinc/23/81/73/1419238173.db2.gz YGMCPNRAMUFEME-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccccc1C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001714620387 1419386506 /nfs/dbraw/zinc/38/65/06/1419386506.db2.gz MMEXOUMGZVEJRC-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1C ZINC001714657585 1419440021 /nfs/dbraw/zinc/44/00/21/1419440021.db2.gz XWKDWENTFFNROD-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714796829 1419512922 /nfs/dbraw/zinc/51/29/22/1419512922.db2.gz ASHRVECFUHWJBB-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001715045813 1419786069 /nfs/dbraw/zinc/78/60/69/1419786069.db2.gz LDQODWDFFVLDCK-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001715089719 1419830164 /nfs/dbraw/zinc/83/01/64/1419830164.db2.gz YWUOPUJTRBZCPB-UXHICEINSA-N 2 0 345.531 3.354 20 0 EGADRP CC1CC[NH+](CC(=O)NC2(C[NH2+]CC3CCCCC3)CCCC2)CC1 ZINC001715102074 1419842659 /nfs/dbraw/zinc/84/26/59/1419842659.db2.gz VDXPRXCUDZVTRB-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)cc1 ZINC001715198539 1419930457 /nfs/dbraw/zinc/93/04/57/1419930457.db2.gz ZCULVEQJJSGQNP-HXUWFJFHSA-N 2 0 339.483 3.105 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001715311105 1420020070 /nfs/dbraw/zinc/02/00/70/1420020070.db2.gz QZSOTWNROQRWEO-UHFFFAOYSA-N 2 0 343.515 3.081 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CC3CCCCC3)CCCC2)CC1 ZINC001715312322 1420021610 /nfs/dbraw/zinc/02/16/10/1420021610.db2.gz RINAKKVWICLWEG-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715367483 1420064057 /nfs/dbraw/zinc/06/40/57/1420064057.db2.gz JNBBQMAIZNQGJH-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001715370477 1420066713 /nfs/dbraw/zinc/06/67/13/1420066713.db2.gz BDIPHTGSDHRYCM-YLJYHZDGSA-N 2 0 347.547 3.333 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001715370475 1420066881 /nfs/dbraw/zinc/06/68/81/1420066881.db2.gz BDIPHTGSDHRYCM-FXAWDEMLSA-N 2 0 347.547 3.333 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c1 ZINC001715492461 1420173828 /nfs/dbraw/zinc/17/38/28/1420173828.db2.gz QBWHLFPTZVLMGG-FQEVSTJZSA-N 2 0 345.531 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cccc2ccccc21 ZINC001715536270 1420231633 /nfs/dbraw/zinc/23/16/33/1420231633.db2.gz SCJROZMIJFZJSN-UHFFFAOYSA-N 2 0 341.499 3.072 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001715536653 1420232009 /nfs/dbraw/zinc/23/20/09/1420232009.db2.gz LRCQIDPHCZTFIW-HXUWFJFHSA-N 2 0 347.547 3.286 20 0 EGADRP CC(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1ccccc1 ZINC001715590196 1420261887 /nfs/dbraw/zinc/26/18/87/1420261887.db2.gz FKYQCMDJAYTQTQ-HKUYNNGSSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715959158 1420425743 /nfs/dbraw/zinc/42/57/43/1420425743.db2.gz UXWRGKHFJJZEGG-RBUKOAKNSA-N 2 0 339.568 3.323 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001716219940 1420570745 /nfs/dbraw/zinc/57/07/45/1420570745.db2.gz HQZNKLNZXGPVHN-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c(C)c1 ZINC001716436617 1420657717 /nfs/dbraw/zinc/65/77/17/1420657717.db2.gz CESDVWYQGWZNQU-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)c(C)c1 ZINC001716464401 1420676990 /nfs/dbraw/zinc/67/69/90/1420676990.db2.gz ONPOKKVVZIRGPR-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001716501117 1420728125 /nfs/dbraw/zinc/72/81/25/1420728125.db2.gz ALJGUMRIHMRBIR-DLBZAZTESA-N 2 0 345.531 3.015 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001717160719 1421151172 /nfs/dbraw/zinc/15/11/72/1421151172.db2.gz CHARTNXKVWOMCB-LJQANCHMSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001717340996 1421278644 /nfs/dbraw/zinc/27/86/44/1421278644.db2.gz VYQNKJKQTHVWBR-IRXDYDNUSA-N 2 0 331.504 3.025 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717370181 1421308370 /nfs/dbraw/zinc/30/83/70/1421308370.db2.gz CQMZSQWJLAIZPJ-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001717449813 1421379897 /nfs/dbraw/zinc/37/98/97/1421379897.db2.gz PHEVNDIRAGJASE-ACBHZAAOSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1c(C(=O)N(C)CC[C@H]([NH2+]CC(C)C)C(C)C)ccc2c[nH+]cn21 ZINC001717514001 1421451085 /nfs/dbraw/zinc/45/10/85/1421451085.db2.gz HHOYBQWQDURMNX-IBGZPJMESA-N 2 0 344.503 3.375 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001717830900 1421642895 /nfs/dbraw/zinc/64/28/95/1421642895.db2.gz WEMSKPXXBNPUJS-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(CC)cc2)[C@@H]1C ZINC001717861629 1421674637 /nfs/dbraw/zinc/67/46/37/1421674637.db2.gz ZANUPWCZLHXAGK-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1F ZINC001718034806 1421786625 /nfs/dbraw/zinc/78/66/25/1421786625.db2.gz SDGNWEIYPJUJKE-LJQANCHMSA-N 2 0 349.494 3.062 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CC[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001723579488 1424472968 /nfs/dbraw/zinc/47/29/68/1424472968.db2.gz UBMKAVAFTGICAF-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001723649536 1424514869 /nfs/dbraw/zinc/51/48/69/1424514869.db2.gz PVWUQDJWMIPRQP-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CCC[NH+]2CCCC2)cs1 ZINC001723981442 1424616938 /nfs/dbraw/zinc/61/69/38/1424616938.db2.gz BRKPAPDJBOPLGD-SFHVURJKSA-N 2 0 349.544 3.013 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001724174476 1424709034 /nfs/dbraw/zinc/70/90/34/1424709034.db2.gz QPMNFRSISRKIMS-NRFANRHFSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001724183691 1424717363 /nfs/dbraw/zinc/71/73/63/1424717363.db2.gz KJZZIXVHXROOBS-FQEVSTJZSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cccc(C[N@H+]2CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001724330667 1424823290 /nfs/dbraw/zinc/82/32/90/1424823290.db2.gz QDPSRBXBODJIBU-NRFANRHFSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@]1(CNC(=O)CCC[NH+]2CCCCC2)CCC[N@H+](CC2CCC2)C1 ZINC001724342685 1424840015 /nfs/dbraw/zinc/84/00/15/1424840015.db2.gz KWOUTKIFDHRLDE-OAQYLSRUSA-N 2 0 349.563 3.271 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCC3CCCC3)C[C@H]21 ZINC001724658873 1425030760 /nfs/dbraw/zinc/03/07/60/1425030760.db2.gz LKATWMUZHGXHOS-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001733569127 1429772162 /nfs/dbraw/zinc/77/21/62/1429772162.db2.gz FFMCRCCOCLVHEO-BJLQDIEVSA-N 2 0 345.531 3.212 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C)CC1 ZINC001724753809 1425124550 /nfs/dbraw/zinc/12/45/50/1425124550.db2.gz HNUUSCQERPVQSI-KESTWPANSA-N 2 0 345.531 3.101 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001724800862 1425169445 /nfs/dbraw/zinc/16/94/45/1425169445.db2.gz OVZVZGFGOHMJRC-KRWDZBQOSA-N 2 0 349.544 3.059 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001724853922 1425221327 /nfs/dbraw/zinc/22/13/27/1425221327.db2.gz HCKAJNSZQALESY-MRXNPFEDSA-N 2 0 349.494 3.009 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001724859295 1425240740 /nfs/dbraw/zinc/24/07/40/1425240740.db2.gz CIJKBWOLTIOXID-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)CCC1CCCC1 ZINC001725157323 1425649302 /nfs/dbraw/zinc/64/93/02/1425649302.db2.gz BUFFPRUFDRZPPE-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725179265 1425701688 /nfs/dbraw/zinc/70/16/88/1425701688.db2.gz HHBQSDJXAUZUQV-QGZVFWFLSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001725526619 1426216997 /nfs/dbraw/zinc/21/69/97/1426216997.db2.gz WWPZFAOVLSLGGE-ROUUACIJSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001725743542 1426420193 /nfs/dbraw/zinc/42/01/93/1426420193.db2.gz ZOCRKWHWXHOWRZ-GOSISDBHSA-N 2 0 345.531 3.100 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731351856 1427290896 /nfs/dbraw/zinc/29/08/96/1427290896.db2.gz GWUNHSPUWWYPDH-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001731354864 1427294958 /nfs/dbraw/zinc/29/49/58/1427294958.db2.gz CGTZQAXEYKOGCM-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CC)CC1 ZINC001731386886 1427333261 /nfs/dbraw/zinc/33/32/61/1427333261.db2.gz AJKZPMSEXBTVFP-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001731387108 1427334629 /nfs/dbraw/zinc/33/46/29/1427334629.db2.gz FVEIYICGAWAALL-VIQWUECVSA-N 2 0 349.563 3.077 20 0 EGADRP CCCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CC2CCC2)CC1 ZINC001731388077 1427337538 /nfs/dbraw/zinc/33/75/38/1427337538.db2.gz SVHAJKORMZWOQE-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001731539413 1427542215 /nfs/dbraw/zinc/54/22/15/1427542215.db2.gz RQEIBBXERDGDGN-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC2(CC2)CC1)[NH+](C)C ZINC001731544243 1427559866 /nfs/dbraw/zinc/55/98/66/1427559866.db2.gz XOYDGJXWQGKDBA-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001731573957 1427617157 /nfs/dbraw/zinc/61/71/57/1427617157.db2.gz VKKBZAFKPYKTMI-UHFFFAOYSA-N 2 0 343.515 3.080 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731647587 1427704878 /nfs/dbraw/zinc/70/48/78/1427704878.db2.gz RJTZJFSBCIAMPS-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001731694728 1427743969 /nfs/dbraw/zinc/74/39/69/1427743969.db2.gz LYHODSKTKKEYLL-RHHFQONYSA-N 2 0 343.515 3.059 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1)CC(C)(C)C ZINC001731834043 1428048268 /nfs/dbraw/zinc/04/82/68/1428048268.db2.gz JNXRYRPKVQDTHV-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001731963261 1428185823 /nfs/dbraw/zinc/18/58/23/1428185823.db2.gz ZCRFINMLFPQMRR-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001733782849 1430050079 /nfs/dbraw/zinc/05/00/79/1430050079.db2.gz PYJVWEDHBBEIRT-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCc1ccc2c(c1)C[NH+](CC1CCC1)C2 ZINC001733835363 1430106572 /nfs/dbraw/zinc/10/65/72/1430106572.db2.gz FBWDWKQDTGTIGR-UHFFFAOYSA-N 2 0 343.515 3.150 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001733897975 1437715352 /nfs/dbraw/zinc/71/53/52/1437715352.db2.gz BOLMIJDZQQPLOZ-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCCC(C)(C)C ZINC001733902572 1437720611 /nfs/dbraw/zinc/72/06/11/1437720611.db2.gz VOZZRLPZAZUEKY-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001733905851 1437723782 /nfs/dbraw/zinc/72/37/82/1437723782.db2.gz ZJGWDVARHWUMRW-HOTGVXAUSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733941701 1437758169 /nfs/dbraw/zinc/75/81/69/1437758169.db2.gz SCNIVFOQKCFHBK-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C ZINC001734573613 1438167133 /nfs/dbraw/zinc/16/71/33/1438167133.db2.gz IMQQVJCHXVBMSK-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccccc2C(C)C)C1 ZINC001734601737 1438183176 /nfs/dbraw/zinc/18/31/76/1438183176.db2.gz YDNGXGSTLJPDBI-UHFFFAOYSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC1=CCCCC1 ZINC001752229533 1440158087 /nfs/dbraw/zinc/15/80/87/1440158087.db2.gz LTOWJQIHHCOQSV-HDICACEKSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cccc(C)c1 ZINC001752229106 1440158118 /nfs/dbraw/zinc/15/81/18/1440158118.db2.gz HRAMMRXUYQFQJB-KDURUIRLSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001752293370 1440166659 /nfs/dbraw/zinc/16/66/59/1440166659.db2.gz JPGPQCJGHMSEPG-QUCCMNQESA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccccc1C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001752524326 1440192590 /nfs/dbraw/zinc/19/25/90/1440192590.db2.gz DOIZPSMVWFOZDP-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP Cc1ccccc1C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001752524327 1440192633 /nfs/dbraw/zinc/19/26/33/1440192633.db2.gz DOIZPSMVWFOZDP-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cc(C)ccc1C ZINC001752824065 1440222484 /nfs/dbraw/zinc/22/24/84/1440222484.db2.gz OWRJZNQCFHPAOZ-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001752832529 1440226065 /nfs/dbraw/zinc/22/60/65/1440226065.db2.gz XSGIEBCJCRMPKD-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001752876505 1440238202 /nfs/dbraw/zinc/23/82/02/1440238202.db2.gz ADKTYPRWSGHBMG-CQSZACIVSA-N 2 0 335.517 3.018 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001752909124 1440244945 /nfs/dbraw/zinc/24/49/45/1440244945.db2.gz HDVWGYCIFNOGEG-SFHVURJKSA-N 2 0 345.531 3.018 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001752954059 1440252469 /nfs/dbraw/zinc/25/24/69/1440252469.db2.gz OQMAKHXCRCROOI-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001752983924 1440257751 /nfs/dbraw/zinc/25/77/51/1440257751.db2.gz RGKKTFZWQIPQKR-MOPGFXCFSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001752992990 1440260505 /nfs/dbraw/zinc/26/05/05/1440260505.db2.gz YAIGZAJTACNNIA-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753000333 1440264216 /nfs/dbraw/zinc/26/42/16/1440264216.db2.gz QNCHMNRHJHPHEW-HXUWFJFHSA-N 2 0 347.547 3.286 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001753005107 1440265686 /nfs/dbraw/zinc/26/56/86/1440265686.db2.gz CZTOHOOQYXQIJC-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753011135 1440266999 /nfs/dbraw/zinc/26/69/99/1440266999.db2.gz PBOSWMGVZFENAH-QZTJIDSGSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001753028494 1440272241 /nfs/dbraw/zinc/27/22/41/1440272241.db2.gz HSAACGRRNRAHDZ-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001753033124 1440273715 /nfs/dbraw/zinc/27/37/15/1440273715.db2.gz FISMVQUJZAOFHC-VZSQWMKGSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001753033890 1440273776 /nfs/dbraw/zinc/27/37/76/1440273776.db2.gz VJFCMPNPRMTJEO-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001753035752 1440274635 /nfs/dbraw/zinc/27/46/35/1440274635.db2.gz JVQUHJLPVTZZPD-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001753039908 1440275911 /nfs/dbraw/zinc/27/59/11/1440275911.db2.gz MQVSEXZQHWAHQK-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CCC1CCCCC1 ZINC001753082719 1440294696 /nfs/dbraw/zinc/29/46/96/1440294696.db2.gz NNFNNIMEAAPEGR-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001753107629 1440306794 /nfs/dbraw/zinc/30/67/94/1440306794.db2.gz CBLGJMQXWWUJRI-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(C)ccc1C ZINC001753145379 1440324035 /nfs/dbraw/zinc/32/40/35/1440324035.db2.gz FXRLBVZXCKJGPP-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753189943 1440337621 /nfs/dbraw/zinc/33/76/21/1440337621.db2.gz SZAHPUUUEDEMFK-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001753313242 1440357943 /nfs/dbraw/zinc/35/79/43/1440357943.db2.gz WGEOAGKOZCCNML-PMACEKPBSA-N 2 0 345.531 3.352 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001753319370 1440362160 /nfs/dbraw/zinc/36/21/60/1440362160.db2.gz DJEBTEQECFPIND-RBUKOAKNSA-N 2 0 337.552 3.364 20 0 EGADRP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001753325508 1440366321 /nfs/dbraw/zinc/36/63/21/1440366321.db2.gz BPRZWMGZJMRERU-ROUUACIJSA-N 2 0 339.568 3.323 20 0 EGADRP CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001753368096 1440386529 /nfs/dbraw/zinc/38/65/29/1440386529.db2.gz YILLPODVZSVFOW-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753368334 1440386572 /nfs/dbraw/zinc/38/65/72/1440386572.db2.gz KTMUTXBYFAWFRL-DSQZMVHQSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001753417012 1440394689 /nfs/dbraw/zinc/39/46/89/1440394689.db2.gz IGBANPLQMROBEI-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001753446266 1440403915 /nfs/dbraw/zinc/40/39/15/1440403915.db2.gz HFLLENGMNLEOIE-RBUKOAKNSA-N 2 0 345.531 3.239 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001753471494 1440413991 /nfs/dbraw/zinc/41/39/91/1440413991.db2.gz NWWKPZRMOBXODP-PMACEKPBSA-N 2 0 345.531 3.106 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001753487279 1440418158 /nfs/dbraw/zinc/41/81/58/1440418158.db2.gz GNNKNBFUPUNSCW-UXHICEINSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001753508360 1440425110 /nfs/dbraw/zinc/42/51/10/1440425110.db2.gz HOSJOYCWWQIOJP-MOPGFXCFSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001753547828 1440434523 /nfs/dbraw/zinc/43/45/23/1440434523.db2.gz FJRFJAHLHREYJE-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753557536 1440436224 /nfs/dbraw/zinc/43/62/24/1440436224.db2.gz NMGIJZYEZGMQKM-GOSISDBHSA-N 2 0 345.531 3.380 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(CC[NH2+]CCC3CC3)CC2)C1 ZINC001753577334 1440439536 /nfs/dbraw/zinc/43/95/36/1440439536.db2.gz ZGBMHBPZNWXWRQ-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC001753585640 1440441216 /nfs/dbraw/zinc/44/12/16/1440441216.db2.gz LOIYGIAMNFVXHD-QWFCFKBJSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001753587413 1440441750 /nfs/dbraw/zinc/44/17/50/1440441750.db2.gz VQIIULUSOLVSAT-WGSAOQKQSA-N 2 0 349.494 3.015 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001753587673 1440441769 /nfs/dbraw/zinc/44/17/69/1440441769.db2.gz LOBQDVUSCKOGTO-IIAWZERTSA-N 2 0 335.536 3.233 20 0 EGADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC1CCCCCC1 ZINC001753637819 1440453581 /nfs/dbraw/zinc/45/35/81/1440453581.db2.gz ONNGCDXBZUJJKO-HKUYNNGSSA-N 2 0 337.552 3.031 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001753745725 1440480952 /nfs/dbraw/zinc/48/09/52/1440480952.db2.gz IMKAWSACNPROOH-RBUKOAKNSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753794666 1440489449 /nfs/dbraw/zinc/48/94/49/1440489449.db2.gz QCBBYKKDESMKTJ-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001753794978 1440489620 /nfs/dbraw/zinc/48/96/20/1440489620.db2.gz FIXIZYBSXSOIBE-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001753823363 1440497284 /nfs/dbraw/zinc/49/72/84/1440497284.db2.gz FQGDWQSVQFFIFR-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001753831119 1440499557 /nfs/dbraw/zinc/49/95/57/1440499557.db2.gz NFTBPNWRLKCZMR-OALUTQOASA-N 2 0 335.536 3.090 20 0 EGADRP Cc1c(C)c(C)c(C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)c(C)c1C ZINC001753861731 1440512170 /nfs/dbraw/zinc/51/21/70/1440512170.db2.gz PYPRGHNAFRGOQB-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753971285 1440527149 /nfs/dbraw/zinc/52/71/49/1440527149.db2.gz WBNOXPVIONFRRH-XLIONFOSSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCc2ccccc21)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753988509 1440528792 /nfs/dbraw/zinc/52/87/92/1440528792.db2.gz HFZMRWJZNZDGDD-APWZRJJASA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H](CC[NH2+]CCC1CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754019734 1440532287 /nfs/dbraw/zinc/53/22/87/1440532287.db2.gz MUGUSDQXOHUANC-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754070457 1440537973 /nfs/dbraw/zinc/53/79/73/1440537973.db2.gz BKLHSGVSMRWVMC-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC001754122267 1440542865 /nfs/dbraw/zinc/54/28/65/1440542865.db2.gz ZBUKRMXKGRMJTR-KWNLBSCQSA-N 2 0 349.906 3.003 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001754326448 1440580947 /nfs/dbraw/zinc/58/09/47/1440580947.db2.gz KGCOHUSYSQXQPT-ICSRJNTNSA-N 2 0 345.531 3.194 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754371039 1440592609 /nfs/dbraw/zinc/59/26/09/1440592609.db2.gz VOKRNMKPKIBDNC-UYAOXDASSA-N 2 0 345.531 3.367 20 0 EGADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001754400436 1440595181 /nfs/dbraw/zinc/59/51/81/1440595181.db2.gz AAYWBZDUPFDQPE-OALUTQOASA-N 2 0 345.531 3.450 20 0 EGADRP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001754407794 1440595874 /nfs/dbraw/zinc/59/58/74/1440595874.db2.gz MKLNOSZHTGVCSG-OALUTQOASA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001754470813 1440605359 /nfs/dbraw/zinc/60/53/59/1440605359.db2.gz QZSLUFBBDYWPPR-VQTJNVASSA-N 2 0 345.531 3.054 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001754487864 1440609205 /nfs/dbraw/zinc/60/92/05/1440609205.db2.gz RHENTDJDKFVRMM-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001754495158 1440611855 /nfs/dbraw/zinc/61/18/55/1440611855.db2.gz GITUGYVWIVNRGC-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001754537674 1440624956 /nfs/dbraw/zinc/62/49/56/1440624956.db2.gz CHSODZVHLHRQTH-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001754543126 1440626479 /nfs/dbraw/zinc/62/64/79/1440626479.db2.gz RMRQRKYLSQGXPW-FUMNGEBKSA-N 2 0 349.563 3.362 20 0 EGADRP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001754545740 1440627262 /nfs/dbraw/zinc/62/72/62/1440627262.db2.gz BDNVIDTXVYZVSL-FUVPAVLMSA-N 2 0 335.536 3.186 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001754557980 1440632657 /nfs/dbraw/zinc/63/26/57/1440632657.db2.gz USFURCXHUJDGJY-KTBYTZPXSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001754568339 1440636670 /nfs/dbraw/zinc/63/66/70/1440636670.db2.gz CAYAQBIAVOCHQS-HXUWFJFHSA-N 2 0 337.552 3.079 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001754622057 1440645410 /nfs/dbraw/zinc/64/54/10/1440645410.db2.gz CYNDZRMXKJAKBU-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C1CCCC1 ZINC001754644529 1440649776 /nfs/dbraw/zinc/64/97/76/1440649776.db2.gz CHRSQHFPCYNSAJ-PMACEKPBSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001754655208 1440653232 /nfs/dbraw/zinc/65/32/32/1440653232.db2.gz ZMHJSPKYFDHOSF-WMZOPIPTSA-N 2 0 337.552 3.029 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001754661505 1440655042 /nfs/dbraw/zinc/65/50/42/1440655042.db2.gz GLVPKGTYUVTLGQ-LYSGITKLSA-N 2 0 349.563 3.389 20 0 EGADRP C[C@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCCC2CCC2)C1 ZINC001754681703 1440662609 /nfs/dbraw/zinc/66/26/09/1440662609.db2.gz DWBBFNGMPOQEJW-FQEVSTJZSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754686097 1440665140 /nfs/dbraw/zinc/66/51/40/1440665140.db2.gz YUGNZIVYOXTKGB-QUCCMNQESA-N 2 0 349.494 3.198 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001754700442 1440667875 /nfs/dbraw/zinc/66/78/75/1440667875.db2.gz YJXDPORREUFZRP-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001754721651 1440673521 /nfs/dbraw/zinc/67/35/21/1440673521.db2.gz WGNABEXATLYHLO-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734408 1440681455 /nfs/dbraw/zinc/68/14/55/1440681455.db2.gz VJHPCSNPTYRHSF-NQIIRXRSSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001754806624 1440691276 /nfs/dbraw/zinc/69/12/76/1440691276.db2.gz FTORMQMBWRQJEZ-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC001754865494 1440702680 /nfs/dbraw/zinc/70/26/80/1440702680.db2.gz MTKHGPOCEHKVIP-GUDVDZBRSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC001754869856 1440704686 /nfs/dbraw/zinc/70/46/86/1440704686.db2.gz QTCJWQWZQJCXII-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C)cs1 ZINC001755162669 1440765537 /nfs/dbraw/zinc/76/55/37/1440765537.db2.gz YBMKYJRRHKPPKT-YOEHRIQHSA-N 2 0 349.544 3.010 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)[C@@H](C)C1 ZINC001755166733 1440767693 /nfs/dbraw/zinc/76/76/93/1440767693.db2.gz FPXJIYWDGLGTTQ-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C ZINC001755195324 1440776452 /nfs/dbraw/zinc/77/64/52/1440776452.db2.gz NLZZIGPTKAYDGD-IRXDYDNUSA-N 2 0 343.531 3.025 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001755195323 1440776571 /nfs/dbraw/zinc/77/65/71/1440776571.db2.gz NLZZIGPTKAYDGD-IAGOWNOFSA-N 2 0 343.531 3.025 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cccc(C)c1 ZINC001755202039 1440780298 /nfs/dbraw/zinc/78/02/98/1440780298.db2.gz YKNRGHNOUZKRNX-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001755213229 1440783592 /nfs/dbraw/zinc/78/35/92/1440783592.db2.gz YPPOKSMAOSSLGP-AOCRQIFASA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001755221841 1440784844 /nfs/dbraw/zinc/78/48/44/1440784844.db2.gz MHVYUJZWTNROPY-ABHNRTSZSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)[C@@H](C)[NH2+]CC1CCCC1 ZINC001755245845 1440790452 /nfs/dbraw/zinc/79/04/52/1440790452.db2.gz HPZBTFRSJRGGEL-IAGOWNOFSA-N 2 0 345.531 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001755276650 1440799281 /nfs/dbraw/zinc/79/92/81/1440799281.db2.gz QMHCIFURZMZSET-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001755276811 1440799322 /nfs/dbraw/zinc/79/93/22/1440799322.db2.gz WSTIAQVQJYXIHO-UHFFFAOYSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC(C)(C)C[NH2+]CC1=CCCCC1 ZINC001755287217 1440802427 /nfs/dbraw/zinc/80/24/27/1440802427.db2.gz RZAWWZYXCGPSMM-HDICACEKSA-N 2 0 349.563 3.434 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1=CCCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001755287763 1440802599 /nfs/dbraw/zinc/80/25/99/1440802599.db2.gz KEIKLUKLBNTPLN-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC001755320112 1440817955 /nfs/dbraw/zinc/81/79/55/1440817955.db2.gz NTBJJAMMGVIRQA-IAGOWNOFSA-N 2 0 349.494 3.027 20 0 EGADRP CCc1ccccc1C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755329173 1440823637 /nfs/dbraw/zinc/82/36/37/1440823637.db2.gz XMCWGBCNFRSVBH-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCCC1 ZINC001755350890 1440827886 /nfs/dbraw/zinc/82/78/86/1440827886.db2.gz KCYKAKVQQVJUCB-CTWPCTMYSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]([NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1)c1ccccc1 ZINC001755355453 1440829275 /nfs/dbraw/zinc/82/92/75/1440829275.db2.gz GRUBXDBOOBHGBD-SFHVURJKSA-N 2 0 343.515 3.252 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C/c1ccccc1 ZINC001755367883 1440835705 /nfs/dbraw/zinc/83/57/05/1440835705.db2.gz JZXBFVNRGVCKPO-JTPHSUOKSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001755385024 1440840388 /nfs/dbraw/zinc/84/03/88/1440840388.db2.gz YBWQEWAGYWMXQJ-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001755415681 1440848698 /nfs/dbraw/zinc/84/86/98/1440848698.db2.gz KVALAGWDMVJERF-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2C1 ZINC001755453593 1440854546 /nfs/dbraw/zinc/85/45/46/1440854546.db2.gz QOAPFQXWGSFSOD-XUVXKRRUSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CCC3CCCC3)C[C@]2(C)C1 ZINC001755461292 1440857635 /nfs/dbraw/zinc/85/76/35/1440857635.db2.gz ZVLODUYKHCRAKN-OYRHEFFESA-N 2 0 349.563 3.079 20 0 EGADRP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001755471163 1440858809 /nfs/dbraw/zinc/85/88/09/1440858809.db2.gz QIAMKFOPRLARCT-GUDVDZBRSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001755619236 1440889920 /nfs/dbraw/zinc/88/99/20/1440889920.db2.gz UUSQCQLOQWPOBY-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)cc1 ZINC001755619467 1440890068 /nfs/dbraw/zinc/89/00/68/1440890068.db2.gz WWSSQPKGGVKYJO-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CC/C=C/c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001755658792 1440892414 /nfs/dbraw/zinc/89/24/14/1440892414.db2.gz LRLFDYQUJXRQOR-ZSGQJBBISA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001755658701 1440892442 /nfs/dbraw/zinc/89/24/42/1440892442.db2.gz OUKNAAKTSXRGLH-MSOLQXFVSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001755691977 1440896772 /nfs/dbraw/zinc/89/67/72/1440896772.db2.gz FIJHASOYZITRRL-QFBILLFUSA-N 2 0 331.504 3.131 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC001755700073 1440899604 /nfs/dbraw/zinc/89/96/04/1440899604.db2.gz BYQGUFGDCBMGRX-IRFCIJBXSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001755700099 1440899694 /nfs/dbraw/zinc/89/96/94/1440899694.db2.gz CIOIJLCEEYQTLW-QUCCMNQESA-N 2 0 335.536 3.164 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1)[NH+](CC)CC ZINC001755762276 1440915237 /nfs/dbraw/zinc/91/52/37/1440915237.db2.gz ZMPXMWHXECBZKX-RTBURBONSA-N 2 0 345.531 3.134 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C(C)(C)C1 ZINC001755765101 1440916004 /nfs/dbraw/zinc/91/60/04/1440916004.db2.gz INZXNLUBLJQWCM-HKUYNNGSSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCN(C(=O)C[NH+](C)C2CCC2)C(C)C)c1 ZINC001755813354 1440921785 /nfs/dbraw/zinc/92/17/85/1440921785.db2.gz NIGRSWUHIKSKIH-UHFFFAOYSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C)c1ccccc1 ZINC001755833743 1440929600 /nfs/dbraw/zinc/92/96/00/1440929600.db2.gz OWVXMRUJRWTPDE-ROUUACIJSA-N 2 0 342.487 3.224 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)c1 ZINC001755839326 1440931185 /nfs/dbraw/zinc/93/11/85/1440931185.db2.gz JYBCGRIZSKSVED-IBGZPJMESA-N 2 0 347.547 3.264 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001755840129 1440931376 /nfs/dbraw/zinc/93/13/76/1440931376.db2.gz RVSQFJWEBGKJGL-LJQANCHMSA-N 2 0 349.563 3.483 20 0 EGADRP CCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755843315 1440932364 /nfs/dbraw/zinc/93/23/64/1440932364.db2.gz CJJFLNVGZWBVST-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001755846161 1440933351 /nfs/dbraw/zinc/93/33/51/1440933351.db2.gz ONYSTDCSSBGORB-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001755869366 1440938670 /nfs/dbraw/zinc/93/86/70/1440938670.db2.gz DHNZXXFNXOGCII-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP COc1cc2c[nH+]c(N3CCC(C[NH+](C)C)CC3)cc2cc1OC ZINC001165045742 721949681 /nfs/dbraw/zinc/94/96/81/721949681.db2.gz ZHLGJDAJTIGDMD-UHFFFAOYSA-N 2 0 329.444 3.030 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824948317 947003782 /nfs/dbraw/zinc/00/37/82/947003782.db2.gz TXMFAMJPBFAHSJ-JKSUJKDBSA-N 2 0 342.491 3.029 20 0 EGADRP Cc1ccc(-c2nnc([C@H](C)N3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1C ZINC000368354235 168346095 /nfs/dbraw/zinc/34/60/95/168346095.db2.gz HKRYEHQLIUCPAR-OXJNMPFZSA-N 2 0 340.471 3.442 20 0 EGADRP Cc1ccc(-c2nnc([C@@H](C)N3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1C ZINC000368354236 168346235 /nfs/dbraw/zinc/34/62/35/168346235.db2.gz HKRYEHQLIUCPAR-OXQOHEQNSA-N 2 0 340.471 3.442 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC000368521069 168367009 /nfs/dbraw/zinc/36/70/09/168367009.db2.gz BHVBCUPSBGILKP-QFIPXVFZSA-N 2 0 343.559 3.357 20 0 EGADRP CC[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530558 168369243 /nfs/dbraw/zinc/36/92/43/168369243.db2.gz NLRVELWZHQJGAW-AZUAARDMSA-N 2 0 326.488 3.373 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000154252384 529597481 /nfs/dbraw/zinc/59/74/81/529597481.db2.gz UTKGBCQJTJLOED-SFHVURJKSA-N 2 0 325.447 3.033 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1F ZINC000370635038 168521853 /nfs/dbraw/zinc/52/18/53/168521853.db2.gz NPJMNMZZDQKZIT-BEFAXECRSA-N 2 0 337.458 3.174 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1)N1CC[NH+](C)CC1 ZINC000181704003 234292585 /nfs/dbraw/zinc/29/25/85/234292585.db2.gz LLKMTRFWKNUDCL-KGLIPLIRSA-N 2 0 335.879 3.373 20 0 EGADRP [NH3+]CC1(CC(=O)NCc2ccccc2C[NH+]2CCCC2)CCCCC1 ZINC000184221210 235337619 /nfs/dbraw/zinc/33/76/19/235337619.db2.gz YOUGYOUMEBTUSD-UHFFFAOYSA-N 2 0 343.515 3.198 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415013457 309114199 /nfs/dbraw/zinc/11/41/99/309114199.db2.gz KXLIFJHCOKOLGX-UONOGXRCSA-N 2 0 325.884 3.473 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000168509187 291125209 /nfs/dbraw/zinc/12/52/09/291125209.db2.gz JGSVONFGWIUOHM-OJAHFUOMSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000261601921 201194700 /nfs/dbraw/zinc/19/47/00/201194700.db2.gz BNUKIIKWAAQROG-APWZRJJASA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272372802 201250622 /nfs/dbraw/zinc/25/06/22/201250622.db2.gz UZEWIRHGFMMSKB-AEEMCCEDSA-N 2 0 328.500 3.300 20 0 EGADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(Cl)c1OC ZINC000272425453 201251243 /nfs/dbraw/zinc/25/12/43/201251243.db2.gz DZFTVWDKIOOOER-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000236661436 242310656 /nfs/dbraw/zinc/31/06/56/242310656.db2.gz XGXSOXNQXOPPHV-GVDBMIGSSA-N 2 0 349.544 3.155 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)c1ccsc1 ZINC000262621239 245072036 /nfs/dbraw/zinc/07/20/36/245072036.db2.gz FBZZRNSFPQTREO-MSOLQXFVSA-N 2 0 345.512 3.256 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000123662999 204928394 /nfs/dbraw/zinc/92/83/94/204928394.db2.gz UWMWHGQRLWWQMY-OAHLLOKOSA-N 2 0 326.440 3.370 20 0 EGADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)ccc2c1 ZINC000127795684 205117444 /nfs/dbraw/zinc/11/74/44/205117444.db2.gz GTSIWQNYRIBKCC-IAGOWNOFSA-N 2 0 341.499 3.135 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1)N1CC[NH+](C)CC1 ZINC000127855243 205120270 /nfs/dbraw/zinc/12/02/70/205120270.db2.gz ZGOXZGRNWQFGOL-QZTJIDSGSA-N 2 0 338.499 3.035 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000128289678 205142482 /nfs/dbraw/zinc/14/24/82/205142482.db2.gz RUQIKNFHYYFGFX-UHFFFAOYSA-N 2 0 329.532 3.330 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000129301141 205188178 /nfs/dbraw/zinc/18/81/78/205188178.db2.gz LKDZVCHBENTKJL-CZUORRHYSA-N 2 0 330.394 3.338 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000130620829 205247513 /nfs/dbraw/zinc/24/75/13/205247513.db2.gz BOYSDTYQTQLOLU-DYESRHJHSA-N 2 0 342.483 3.320 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000131557227 205294392 /nfs/dbraw/zinc/29/43/92/205294392.db2.gz JGCIIFPTYFZOOJ-UHFFFAOYSA-N 2 0 341.455 3.118 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000132443931 205325280 /nfs/dbraw/zinc/32/52/80/205325280.db2.gz LQFYJMSINCHMSE-OALUTQOASA-N 2 0 339.474 3.278 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000133897079 205383342 /nfs/dbraw/zinc/38/33/42/205383342.db2.gz JJYFMUIPQBIICR-SJLPKXTDSA-N 2 0 334.504 3.346 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000155678137 206027600 /nfs/dbraw/zinc/02/76/00/206027600.db2.gz PSRNMQJBFSSTKM-UWVAXJGDSA-N 2 0 329.532 3.142 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(C)s1 ZINC000158441207 206190704 /nfs/dbraw/zinc/19/07/04/206190704.db2.gz KPYKSYACEFLNNK-HNNXBMFYSA-N 2 0 344.528 3.363 20 0 EGADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158475795 206193114 /nfs/dbraw/zinc/19/31/14/206193114.db2.gz VQCKMXXLBVOVBS-OAHLLOKOSA-N 2 0 330.501 3.054 20 0 EGADRP Cc1ccoc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000266186583 248156363 /nfs/dbraw/zinc/15/63/63/248156363.db2.gz HNCKALJBEMPKFX-IRXDYDNUSA-N 2 0 328.456 3.487 20 0 EGADRP COc1ccc(C[NH+]2CCC(CNc3ccnc(C)n3)CC2)cc1 ZINC000266326230 248249162 /nfs/dbraw/zinc/24/91/62/248249162.db2.gz GFUHFBUVIHDCMI-UHFFFAOYSA-N 2 0 326.444 3.118 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2occc2C)CC1 ZINC000266236596 248193486 /nfs/dbraw/zinc/19/34/86/248193486.db2.gz WBUYOUFBDPEGEW-UHFFFAOYSA-N 2 0 327.472 3.015 20 0 EGADRP c1cn(CCC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000378445000 169122473 /nfs/dbraw/zinc/12/24/73/169122473.db2.gz PKZZSOOCDQPTCW-UHFFFAOYSA-N 2 0 338.499 3.261 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC000177343083 207324192 /nfs/dbraw/zinc/32/41/92/207324192.db2.gz MQPNNBMIWNRHRA-UWVAXJGDSA-N 2 0 334.504 3.483 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000268421193 251901332 /nfs/dbraw/zinc/90/13/32/251901332.db2.gz GFRPCPDLILMDKG-KRWDZBQOSA-N 2 0 333.520 3.265 20 0 EGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(N2CCOCC2)c1 ZINC000268726167 252175190 /nfs/dbraw/zinc/17/51/90/252175190.db2.gz KQRADHPYYKPVDH-INIZCTEOSA-N 2 0 345.531 3.483 20 0 EGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(N2CCOCC2)c1 ZINC000268726169 252176355 /nfs/dbraw/zinc/17/63/55/252176355.db2.gz KQRADHPYYKPVDH-MRXNPFEDSA-N 2 0 345.531 3.483 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000268861267 252309692 /nfs/dbraw/zinc/30/96/92/252309692.db2.gz ZBZOXLIURKENGI-HIFRSBDPSA-N 2 0 344.425 3.222 20 0 EGADRP C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCCC[NH2+]1 ZINC000237591212 141009129 /nfs/dbraw/zinc/00/91/29/141009129.db2.gz SRMUYIKVYJDTCU-NRFANRHFSA-N 2 0 343.515 3.211 20 0 EGADRP c1cc2c(cc1[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)C1CC1)OCCO2 ZINC000246690922 141025766 /nfs/dbraw/zinc/02/57/66/141025766.db2.gz MVYIXPSPIFCIOI-ABSDTBQOSA-N 2 0 328.456 3.125 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338046768 141081027 /nfs/dbraw/zinc/08/10/27/141081027.db2.gz LDSONILYHZFZMH-LYYGHALDSA-N 2 0 343.515 3.199 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000354576858 141309114 /nfs/dbraw/zinc/30/91/14/141309114.db2.gz LKVDSLNKLSPWIY-SFHVURJKSA-N 2 0 343.515 3.134 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000359601411 141383191 /nfs/dbraw/zinc/38/31/91/141383191.db2.gz UZGVGHBYRPVBEI-SESVDKBCSA-N 2 0 347.547 3.016 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000178437821 144071538 /nfs/dbraw/zinc/07/15/38/144071538.db2.gz BYXNJUXYCTUEBJ-GOSISDBHSA-N 2 0 333.907 3.131 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000347034169 144251409 /nfs/dbraw/zinc/25/14/09/144251409.db2.gz CHJRIQCFMPUFAO-UHFFFAOYSA-N 2 0 332.879 3.266 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403299 144264158 /nfs/dbraw/zinc/26/41/58/144264158.db2.gz CQCRMFWRNYKIOT-LEWJYISDSA-N 2 0 329.532 3.315 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCSCC[C@H]2C)CC1 ZINC000361645787 144342493 /nfs/dbraw/zinc/34/24/93/144342493.db2.gz TVMNTWRGCQYWBB-QGZVFWFLSA-N 2 0 333.545 3.156 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)Oc1ccccc1F ZINC000361725859 144355657 /nfs/dbraw/zinc/35/56/57/144355657.db2.gz HTXDONXFIBVRAX-INIZCTEOSA-N 2 0 343.446 3.242 20 0 EGADRP FC(F)COCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364263119 144393277 /nfs/dbraw/zinc/39/32/77/144393277.db2.gz CIZBURYWWWOMTK-UHFFFAOYSA-N 2 0 338.442 3.256 20 0 EGADRP C[N@H+](CCCn1ccnc1)Cc1ccc(OCc2ccncc2)cc1 ZINC000341138891 155183183 /nfs/dbraw/zinc/18/31/83/155183183.db2.gz QWDVHTICXHIJCT-UHFFFAOYSA-N 2 0 336.439 3.379 20 0 EGADRP COc1cccc(Cl)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000118448635 152141729 /nfs/dbraw/zinc/14/17/29/152141729.db2.gz BFLOVBLOAXJLAL-GASCZTMLSA-N 2 0 340.895 3.328 20 0 EGADRP CC(C)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000119702797 152222838 /nfs/dbraw/zinc/22/28/38/152222838.db2.gz FNAYJGMQEQBVEF-UHFFFAOYSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000120278418 152263601 /nfs/dbraw/zinc/26/36/01/152263601.db2.gz SHRKSKFMOQTBQQ-IYBDPMFKSA-N 2 0 347.528 3.047 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190773048 153158979 /nfs/dbraw/zinc/15/89/79/153158979.db2.gz PXPYMCUQYKECBM-UHFFFAOYSA-N 2 0 326.488 3.474 20 0 EGADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000192655241 153253256 /nfs/dbraw/zinc/25/32/56/153253256.db2.gz SJFVIYSIFAHMPA-VTHDOGFWSA-N 2 0 329.532 3.154 20 0 EGADRP CCOc1cc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000192881239 153263503 /nfs/dbraw/zinc/26/35/03/153263503.db2.gz MDKNHCDTOARECK-AYHJJNSGSA-N 2 0 332.488 3.241 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000192922449 153265831 /nfs/dbraw/zinc/26/58/31/153265831.db2.gz XANARUDUJVICTG-SFHVURJKSA-N 2 0 328.431 3.446 20 0 EGADRP Cc1cccc(C(=O)N2CCCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000193467383 153293073 /nfs/dbraw/zinc/29/30/73/153293073.db2.gz HLWRHVZWMSYKOH-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000236634421 153455157 /nfs/dbraw/zinc/45/51/57/153455157.db2.gz AADBJSBJRHUVRQ-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000305063183 154080161 /nfs/dbraw/zinc/08/01/61/154080161.db2.gz HHNCJQLKMDLWAZ-CDHQVMDDSA-N 2 0 334.479 3.492 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000337356506 154303580 /nfs/dbraw/zinc/30/35/80/154303580.db2.gz ARMIGOIQVMRMSI-RDJZCZTQSA-N 2 0 334.504 3.265 20 0 EGADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000337412224 154339989 /nfs/dbraw/zinc/33/99/89/154339989.db2.gz WSROUCBAYYTXGI-HXUWFJFHSA-N 2 0 327.516 3.117 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000339990131 155063192 /nfs/dbraw/zinc/06/31/92/155063192.db2.gz XLHWKWNYJFNALL-OALUTQOASA-N 2 0 345.531 3.123 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)cc1 ZINC000346882592 156177754 /nfs/dbraw/zinc/17/77/54/156177754.db2.gz YMVBUFBRYJGBJZ-INIZCTEOSA-N 2 0 333.520 3.311 20 0 EGADRP FC(F)(F)c1csc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000347001254 156238100 /nfs/dbraw/zinc/23/81/00/156238100.db2.gz GXAZSFVSBMYEGB-GFCCVEGCSA-N 2 0 333.423 3.341 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347016748 156249606 /nfs/dbraw/zinc/24/96/06/156249606.db2.gz KBYIFKLLAANZFV-XJKSGUPXSA-N 2 0 330.451 3.187 20 0 EGADRP CCOc1c(OC)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000347035254 156259843 /nfs/dbraw/zinc/25/98/43/156259843.db2.gz GJIKOJFBSRIZIX-KRWDZBQOSA-N 2 0 348.487 3.067 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)cc(Cl)c1 ZINC000348905630 156284050 /nfs/dbraw/zinc/28/40/50/156284050.db2.gz RTWJQFLXUGBZLJ-UHFFFAOYSA-N 2 0 329.891 3.185 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000349056782 156336577 /nfs/dbraw/zinc/33/65/77/156336577.db2.gz LVWXJRQXXYYXIH-VQTJNVASSA-N 2 0 343.515 3.123 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)C)s1 ZINC000349064730 156341446 /nfs/dbraw/zinc/34/14/46/156341446.db2.gz VWWDSCHKQSBPSN-MRXNPFEDSA-N 2 0 338.565 3.114 20 0 EGADRP COc1ccc2nc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)sc2c1 ZINC000349158193 156371708 /nfs/dbraw/zinc/37/17/08/156371708.db2.gz ZRBFGYZIHQNVME-HNNXBMFYSA-N 2 0 345.512 3.469 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000105480558 162055673 /nfs/dbraw/zinc/05/56/73/162055673.db2.gz NOQXPUIUIQMQIO-LPHOPBHVSA-N 2 0 334.467 3.455 20 0 EGADRP C[NH+]1CCC(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000126235615 162297958 /nfs/dbraw/zinc/29/79/58/162297958.db2.gz HCSPUSWAFCYXFR-UHFFFAOYSA-N 2 0 335.923 3.236 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000130362221 162365043 /nfs/dbraw/zinc/36/50/43/162365043.db2.gz KJUYBERLXLQDDE-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP Cc1cncc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000248689761 163028287 /nfs/dbraw/zinc/02/82/87/163028287.db2.gz ALDAYYFXJPBEDL-UWJYYQICSA-N 2 0 339.483 3.198 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000354311815 166001260 /nfs/dbraw/zinc/00/12/60/166001260.db2.gz NXJDEKUOGZDKLP-YVWKXTFCSA-N 2 0 345.531 3.282 20 0 EGADRP CN(C)Cc1cc(NC(=O)CN(C)Cc2ccccc2)ccc1Cl ZINC000337244328 163177236 /nfs/dbraw/zinc/17/72/36/163177236.db2.gz IBAVONLNXGAROK-UHFFFAOYSA-N 2 0 345.874 3.472 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000338573610 163277905 /nfs/dbraw/zinc/27/79/05/163277905.db2.gz KALXKHOVARDKIH-YLJYHZDGSA-N 2 0 343.515 3.227 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccc21 ZINC000338692086 163319805 /nfs/dbraw/zinc/31/98/05/163319805.db2.gz HZNREIKDXWUYEV-ROUUACIJSA-N 2 0 332.488 3.346 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccc21 ZINC000338692084 163320194 /nfs/dbraw/zinc/32/01/94/163320194.db2.gz HZNREIKDXWUYEV-MSOLQXFVSA-N 2 0 332.488 3.346 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)cc1 ZINC000343808522 164039715 /nfs/dbraw/zinc/03/97/15/164039715.db2.gz BMTRLTUILOQVLA-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP CCC1(CC)[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1OC ZINC000344120357 164107714 /nfs/dbraw/zinc/10/77/14/164107714.db2.gz ZOPGSVQKNMVALJ-OALUTQOASA-N 2 0 331.504 3.481 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3ccc(F)cc32)ccn1 ZINC000344287354 164146676 /nfs/dbraw/zinc/14/66/76/164146676.db2.gz IOCQTJXWWYDSDC-IBGZPJMESA-N 2 0 343.446 3.328 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCC[C@H](C)[NH+]1CCCCC1)C(C)C ZINC000345609509 164226413 /nfs/dbraw/zinc/22/64/13/164226413.db2.gz LVIYTLBTGNXVOO-SFHVURJKSA-N 2 0 340.556 3.059 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Cc1[nH]cnc1C)c1ccccc1Cl ZINC000346027116 164320720 /nfs/dbraw/zinc/32/07/20/164320720.db2.gz DZIDVIAGSJEOLR-KRWDZBQOSA-N 2 0 348.878 3.113 20 0 EGADRP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)C1CC[NH+](C)CC1 ZINC000097038050 287073529 /nfs/dbraw/zinc/07/35/29/287073529.db2.gz URNVGDDZHSWOFG-MRXNPFEDSA-N 2 0 333.545 3.378 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000352051535 165211892 /nfs/dbraw/zinc/21/18/92/165211892.db2.gz CMXXUCNAWMVDPO-HOJAQTOUSA-N 2 0 345.531 3.322 20 0 EGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000355121370 166112239 /nfs/dbraw/zinc/11/22/39/166112239.db2.gz IFGDIEHYCLVWHS-HBMCJLEFSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000355781249 166307981 /nfs/dbraw/zinc/30/79/81/166307981.db2.gz WGABGNRSOBWTHQ-HKUYNNGSSA-N 2 0 332.488 3.066 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000359080538 167061618 /nfs/dbraw/zinc/06/16/18/167061618.db2.gz QUWDPNJKIVUGAM-FPOVZHCZSA-N 2 0 342.531 3.176 20 0 EGADRP COCCC[NH+]1CCC([NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000359084050 167062430 /nfs/dbraw/zinc/06/24/30/167062430.db2.gz GAHVKOOBVKJSDF-UHFFFAOYSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000359527564 167180091 /nfs/dbraw/zinc/18/00/91/167180091.db2.gz SLSUYPCDFMNQHX-QGZVFWFLSA-N 2 0 329.513 3.217 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000359567344 167196370 /nfs/dbraw/zinc/19/63/70/167196370.db2.gz WZZDMWGTYVZIHT-SZMVWBNQSA-N 2 0 347.503 3.232 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2COC)[C@@H](C)C1 ZINC000359673611 167207697 /nfs/dbraw/zinc/20/76/97/167207697.db2.gz JCQXYUSZCBJAPZ-PXNSSMCTSA-N 2 0 334.504 3.060 20 0 EGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360233030 167277038 /nfs/dbraw/zinc/27/70/38/167277038.db2.gz DTPRTGCIUZEIRA-HOTGVXAUSA-N 2 0 342.936 3.257 20 0 EGADRP C[C@H](CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000365792282 168044056 /nfs/dbraw/zinc/04/40/56/168044056.db2.gz BLSXPSSEEUZWJR-SVFBPWRDSA-N 2 0 329.532 3.138 20 0 EGADRP Cc1noc(C)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000367409157 168222121 /nfs/dbraw/zinc/22/21/21/168222121.db2.gz COCYRHZDHRHFRJ-UHFFFAOYSA-N 2 0 329.444 3.054 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367904965 168282297 /nfs/dbraw/zinc/28/22/97/168282297.db2.gz SPNVIDQDAJCSKR-WJMWBRGCSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)ncn2C ZINC000367952967 168287793 /nfs/dbraw/zinc/28/77/93/168287793.db2.gz XJQNTUBSNRJAEY-CRAIPNDOSA-N 2 0 335.455 3.291 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCOCC(F)(F)F ZINC000184753775 265474489 /nfs/dbraw/zinc/47/44/89/265474489.db2.gz HUSWDHZYBSSCSE-GJZGRUSLSA-N 2 0 344.421 3.312 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187962215 265638613 /nfs/dbraw/zinc/63/86/13/265638613.db2.gz SXMSZNUPSMPGGJ-FGZHOGPDSA-N 2 0 343.559 3.360 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000226564177 266197907 /nfs/dbraw/zinc/19/79/07/266197907.db2.gz XHHLXYODBGMHPS-UHFFFAOYSA-N 2 0 327.513 3.142 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1)C(C)C ZINC000236994505 266221838 /nfs/dbraw/zinc/22/18/38/266221838.db2.gz HZDYCLYDDPCDOF-UHFFFAOYSA-N 2 0 331.504 3.308 20 0 EGADRP C[N@@H+](CCc1ccc(Br)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000259009667 266264321 /nfs/dbraw/zinc/26/43/21/266264321.db2.gz MXQBTJFKJJIOLI-HNNXBMFYSA-N 2 0 325.294 3.313 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000266148265 266273445 /nfs/dbraw/zinc/27/34/45/266273445.db2.gz MWRBJCCSRUSKSA-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3OC)[C@H](C)C1 ZINC000268880265 266285295 /nfs/dbraw/zinc/28/52/95/266285295.db2.gz HYOODXOECHCIQK-UXPWSPDFSA-N 2 0 346.515 3.409 20 0 EGADRP Cc1ccc2c(C)cc(N3CCC([N@H+](C)CCCO)CC3)nc2c1 ZINC000274013986 267165143 /nfs/dbraw/zinc/16/51/43/267165143.db2.gz CRTJZGSPXQBAOL-UHFFFAOYSA-N 2 0 327.472 3.135 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000274804373 267290574 /nfs/dbraw/zinc/29/05/74/267290574.db2.gz PFRWMPYNHHLHKG-QGZVFWFLSA-N 2 0 343.515 3.340 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275435835 267361643 /nfs/dbraw/zinc/36/16/43/267361643.db2.gz DRFNZUIBHRVSDG-PSWRPDDJSA-N 2 0 342.527 3.365 20 0 EGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000353513267 274210881 /nfs/dbraw/zinc/21/08/81/274210881.db2.gz FIIJEZXVHOOTDE-MAUKXSAKSA-N 2 0 340.458 3.112 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000305763061 275053215 /nfs/dbraw/zinc/05/32/15/275053215.db2.gz AAXATMBCSKOSLJ-RCCFBDPRSA-N 2 0 334.529 3.483 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000269386170 275236149 /nfs/dbraw/zinc/23/61/49/275236149.db2.gz ZQJYZVLWMFTPBF-UHFFFAOYSA-N 2 0 348.384 3.169 20 0 EGADRP C[C@H](C[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000280802106 275497008 /nfs/dbraw/zinc/49/70/08/275497008.db2.gz HLCJLURVILMJTO-IXDOHACOSA-N 2 0 337.939 3.305 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000282301276 275620338 /nfs/dbraw/zinc/62/03/38/275620338.db2.gz SOQBVZMEXPJWRM-HXUWFJFHSA-N 2 0 346.515 3.108 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000284450932 275801923 /nfs/dbraw/zinc/80/19/23/275801923.db2.gz SNNGSOMZUWEGOB-BHDDXSALSA-N 2 0 342.527 3.284 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000287351014 276110989 /nfs/dbraw/zinc/11/09/89/276110989.db2.gz GULXBPACMPALBV-ZSYZGHEHSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000287680714 276146768 /nfs/dbraw/zinc/14/67/68/276146768.db2.gz WFKXUXRXYRZJCS-ZIBCJSCZSA-N 2 0 330.516 3.428 20 0 EGADRP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000287925511 276169644 /nfs/dbraw/zinc/16/96/44/276169644.db2.gz WLIGLKZDEWJLMM-OALUTQOASA-N 2 0 336.907 3.194 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000358455262 276194984 /nfs/dbraw/zinc/19/49/84/276194984.db2.gz YCKZSQDAEMDJHF-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000195026891 276203107 /nfs/dbraw/zinc/20/31/07/276203107.db2.gz XBAVPDUGBBIPSY-BXWFABGCSA-N 2 0 349.494 3.043 20 0 EGADRP Cc1ccc(F)cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288632340 276236141 /nfs/dbraw/zinc/23/61/41/276236141.db2.gz SUPUJUGDWOHFBY-UHFFFAOYSA-N 2 0 331.435 3.149 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253427 /nfs/dbraw/zinc/25/34/27/276253427.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 2 0 329.532 3.348 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289117812 276293300 /nfs/dbraw/zinc/29/33/00/276293300.db2.gz DDMYUBLOSJQXJD-FQEVSTJZSA-N 2 0 340.515 3.161 20 0 EGADRP Cc1ccncc1CCC[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000289275779 276314783 /nfs/dbraw/zinc/31/47/83/276314783.db2.gz OAGFNQGCUWUQCO-UHFFFAOYSA-N 2 0 327.472 3.053 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000289276402 276314887 /nfs/dbraw/zinc/31/48/87/276314887.db2.gz PROVDZUOJIFDRZ-RBUKOAKNSA-N 2 0 329.532 3.112 20 0 EGADRP CCSc1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289377879 276330257 /nfs/dbraw/zinc/33/02/57/276330257.db2.gz CAAZIAYOIQNFBS-UHFFFAOYSA-N 2 0 335.561 3.256 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000289461883 276342794 /nfs/dbraw/zinc/34/27/94/276342794.db2.gz OLYBGTOPSHDCIZ-UHFFFAOYSA-N 2 0 345.462 3.155 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000354323248 276516437 /nfs/dbraw/zinc/51/64/37/276516437.db2.gz BGKWVUADICWPDD-ZHALLVOQSA-N 2 0 330.520 3.138 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc2C1 ZINC000361052199 278056520 /nfs/dbraw/zinc/05/65/20/278056520.db2.gz MHYQASXECDQRGA-NQIIRXRSSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000186581218 278362699 /nfs/dbraw/zinc/36/26/99/278362699.db2.gz YWLWXYAUGXEISF-UONOGXRCSA-N 2 0 327.875 3.156 20 0 EGADRP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000359883382 279092471 /nfs/dbraw/zinc/09/24/71/279092471.db2.gz LMYUPEANTKYHLQ-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346816669 279182565 /nfs/dbraw/zinc/18/25/65/279182565.db2.gz FAQWFBWLOHARCS-YSSFQJQWSA-N 2 0 342.462 3.187 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236654907 279384245 /nfs/dbraw/zinc/38/42/45/279384245.db2.gz BWRHKZVCYLWRIJ-QGZVFWFLSA-N 2 0 345.531 3.169 20 0 EGADRP C[C@H](c1cccnc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000267331087 279616218 /nfs/dbraw/zinc/61/62/18/279616218.db2.gz AADTVMAIRBSOAG-KZNAEPCWSA-N 2 0 331.504 3.354 20 0 EGADRP CC1(C)CN(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205857 281230169 /nfs/dbraw/zinc/23/01/69/281230169.db2.gz XVIIVUKBDJTASW-MOPGFXCFSA-N 2 0 349.563 3.017 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356851104 295001747 /nfs/dbraw/zinc/00/17/47/295001747.db2.gz QUAOJIBGMHFWRO-CQSZACIVSA-N 2 0 333.476 3.036 20 0 EGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000150990380 301211657 /nfs/dbraw/zinc/21/16/57/301211657.db2.gz HOXXRLJRKKWJCZ-HXUWFJFHSA-N 2 0 345.531 3.133 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414075749 309059369 /nfs/dbraw/zinc/05/93/69/309059369.db2.gz XRVGTROYKXIKOF-SFHVURJKSA-N 2 0 333.520 3.072 20 0 EGADRP C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000129793859 307619757 /nfs/dbraw/zinc/61/97/57/307619757.db2.gz IGLFDVHNNCACKW-KRWDZBQOSA-N 2 0 334.504 3.363 20 0 EGADRP CCC(CC)(CNC(=O)C[C@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000130764079 307633960 /nfs/dbraw/zinc/63/39/60/307633960.db2.gz ASHKAEGHVFQOAQ-DLBZAZTESA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000414113531 309061621 /nfs/dbraw/zinc/06/16/21/309061621.db2.gz KTYHXHDQOOQLGP-BPQIPLTHSA-N 2 0 338.536 3.059 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000132557722 307659467 /nfs/dbraw/zinc/65/94/67/307659467.db2.gz OVWTVSZEXGZHNR-FCHUYYIVSA-N 2 0 343.559 3.178 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000414133921 309062652 /nfs/dbraw/zinc/06/26/52/309062652.db2.gz BVCKWQFEPOPGAQ-FDKIHUSFSA-N 2 0 328.500 3.180 20 0 EGADRP Cn1ccnc1[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175651 309064805 /nfs/dbraw/zinc/06/48/05/309064805.db2.gz HOEIKJUQSUYYKB-QAPCUYQASA-N 2 0 346.906 3.484 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414175926 309064950 /nfs/dbraw/zinc/06/49/50/309064950.db2.gz ISZXCTKGJIRMKA-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncc(Br)s1 ZINC000414179051 309065032 /nfs/dbraw/zinc/06/50/32/309065032.db2.gz KZWPQZWCMNTBOZ-MNOVXSKESA-N 2 0 332.311 3.288 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000152618887 307756495 /nfs/dbraw/zinc/75/64/95/307756495.db2.gz YTKUMNKQFTXWSP-HKUYNNGSSA-N 2 0 349.563 3.195 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000414191393 309065895 /nfs/dbraw/zinc/06/58/95/309065895.db2.gz SLDMLVBHRKWWSE-LSDHHAIUSA-N 2 0 329.488 3.299 20 0 EGADRP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000414193307 309066111 /nfs/dbraw/zinc/06/61/11/309066111.db2.gz TVEJSMVKTOWETC-BBRMVZONSA-N 2 0 328.859 3.488 20 0 EGADRP Cc1ccc(CC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000154540735 307795968 /nfs/dbraw/zinc/79/59/68/307795968.db2.gz RMPQGLJSRRMGAA-WOJBJXKFSA-N 2 0 329.532 3.028 20 0 EGADRP Cc1ccc(CC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000154540631 307796019 /nfs/dbraw/zinc/79/60/19/307796019.db2.gz RMPQGLJSRRMGAA-PMACEKPBSA-N 2 0 329.532 3.028 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000163577556 307923262 /nfs/dbraw/zinc/92/32/62/307923262.db2.gz YMPDOHYOQAZIJQ-UHFFFAOYSA-N 2 0 349.485 3.361 20 0 EGADRP Cc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000414369685 309075626 /nfs/dbraw/zinc/07/56/26/309075626.db2.gz VEXRMJAUWIAQRZ-IEBWSBKVSA-N 2 0 326.488 3.119 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000249094043 308018789 /nfs/dbraw/zinc/01/87/89/308018789.db2.gz HRRVFBGHJKYQRH-HJNYFJLDSA-N 2 0 343.559 3.261 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000249190515 308021075 /nfs/dbraw/zinc/02/10/75/308021075.db2.gz NUCXKKHOEBMVNC-HJNYFJLDSA-N 2 0 343.559 3.360 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000292897029 308077417 /nfs/dbraw/zinc/07/74/17/308077417.db2.gz GFZAONNFTQNZHV-FXAWDEMLSA-N 2 0 329.488 3.048 20 0 EGADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293034025 308092275 /nfs/dbraw/zinc/09/22/75/308092275.db2.gz AHSQTDLXANDCTF-SFHVURJKSA-N 2 0 331.504 3.284 20 0 EGADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293718352 308155899 /nfs/dbraw/zinc/15/58/99/308155899.db2.gz MIEQSUJAHXSWAI-LJQANCHMSA-N 2 0 330.472 3.388 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000294270102 308205419 /nfs/dbraw/zinc/20/54/19/308205419.db2.gz LTVGGLRJHOZGTG-LJQANCHMSA-N 2 0 330.472 3.388 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(SC)cc2)[NH+](C)C)[C@H](C)C1 ZINC000294902529 308269519 /nfs/dbraw/zinc/26/95/19/308269519.db2.gz FPCSTIGSCLRFRE-AYOQOUSVSA-N 2 0 335.561 3.331 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295136419 308295482 /nfs/dbraw/zinc/29/54/82/308295482.db2.gz ZBWHVVFTWJKNIQ-CCNLRDMRSA-N 2 0 329.488 3.181 20 0 EGADRP CC(C)C[C@@H](C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000295356912 308318082 /nfs/dbraw/zinc/31/80/82/308318082.db2.gz RETZUJNVZFCMER-CTNGQTDRSA-N 2 0 329.532 3.313 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414550661 309088357 /nfs/dbraw/zinc/08/83/57/309088357.db2.gz DJZZMYYWKLQTHH-QGZVFWFLSA-N 2 0 345.531 3.156 20 0 EGADRP COc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414715014 309096941 /nfs/dbraw/zinc/09/69/41/309096941.db2.gz WYOYRXUZSLVKAZ-LMMKCTJWSA-N 2 0 332.488 3.064 20 0 EGADRP C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414714948 309096949 /nfs/dbraw/zinc/09/69/49/309096949.db2.gz QTKJXZZEPQOTLC-QGZVFWFLSA-N 2 0 344.503 3.277 20 0 EGADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000297363288 308526705 /nfs/dbraw/zinc/52/67/05/308526705.db2.gz FZESZHLAXLCDJA-SFHVURJKSA-N 2 0 349.837 3.166 20 0 EGADRP CC(C)(C)[NH2+]CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414752425 309098879 /nfs/dbraw/zinc/09/88/79/309098879.db2.gz KQCQIHNPCNTJTP-UHFFFAOYSA-N 2 0 329.532 3.363 20 0 EGADRP c1cc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)ccn1 ZINC000414767057 309099564 /nfs/dbraw/zinc/09/95/64/309099564.db2.gz JFADSBYGRXTMJP-BGYRXZFFSA-N 2 0 337.467 3.092 20 0 EGADRP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772238 309099919 /nfs/dbraw/zinc/09/99/19/309099919.db2.gz BMBPRWKBDIEHEN-JKSUJKDBSA-N 2 0 328.485 3.027 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC12CCOCC2 ZINC000414773155 309099946 /nfs/dbraw/zinc/09/99/46/309099946.db2.gz DBODIVAEEYSQDU-CQSZACIVSA-N 2 0 340.870 3.099 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(C)C ZINC000414779514 309100602 /nfs/dbraw/zinc/10/06/02/309100602.db2.gz KGUMXUYUKKHGEP-ROUUACIJSA-N 2 0 332.488 3.304 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccsc1 ZINC000297880724 308570041 /nfs/dbraw/zinc/57/00/41/308570041.db2.gz VBTUNVCDANFMCG-SFHVURJKSA-N 2 0 345.512 3.280 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)c1 ZINC000414779821 309100635 /nfs/dbraw/zinc/10/06/35/309100635.db2.gz AUEMXIQRJZSMQJ-UHFFFAOYSA-N 2 0 342.439 3.338 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC1CC[NH+](C2CC2)CC1 ZINC000297963417 308575388 /nfs/dbraw/zinc/57/53/88/308575388.db2.gz WQKOLRNYBFWVEU-UHFFFAOYSA-N 2 0 331.504 3.446 20 0 EGADRP Fc1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783658 309100905 /nfs/dbraw/zinc/10/09/05/309100905.db2.gz QHBADPHBHJEGOF-STQMWFEESA-N 2 0 341.268 3.410 20 0 EGADRP CCOc1c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)nn1CC(C)C ZINC000414785395 309101225 /nfs/dbraw/zinc/10/12/25/309101225.db2.gz SOVRJDJCPJNBAE-QZTJIDSGSA-N 2 0 348.535 3.068 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000414793861 309101803 /nfs/dbraw/zinc/10/18/03/309101803.db2.gz UOSQLBSEJWUQFG-APWZRJJASA-N 2 0 343.496 3.138 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414796659 309101996 /nfs/dbraw/zinc/10/19/96/309101996.db2.gz HYHOGZXMJCGCQK-FXAWDEMLSA-N 2 0 325.456 3.268 20 0 EGADRP CC(C)CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796881 309102129 /nfs/dbraw/zinc/10/21/29/309102129.db2.gz XTYKEASRPYWASX-LJQANCHMSA-N 2 0 346.515 3.299 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414803920 309102564 /nfs/dbraw/zinc/10/25/64/309102564.db2.gz DGBKKVNWXWZUGX-CYBMUJFWSA-N 2 0 325.884 3.473 20 0 EGADRP c1cc(N2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000298494699 308619441 /nfs/dbraw/zinc/61/94/41/308619441.db2.gz QDVWBPBBPKCWNP-UHFFFAOYSA-N 3 0 330.520 3.296 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414822573 309103840 /nfs/dbraw/zinc/10/38/40/309103840.db2.gz AMKBMZMVKCTZMQ-TZMCWYRMSA-N 2 0 326.868 3.225 20 0 EGADRP [NH3+][C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000414829177 309104345 /nfs/dbraw/zinc/10/43/45/309104345.db2.gz KIKYZENOZTVNQY-CIAFKFPVSA-N 2 0 335.495 3.187 20 0 EGADRP c1ccc(COc2ccccc2C[NH2+]CC[C@H]2CCC[NH2+]C2)nc1 ZINC000414844386 309105133 /nfs/dbraw/zinc/10/51/33/309105133.db2.gz DQAUYFUJAPYXDW-QGZVFWFLSA-N 2 0 325.456 3.140 20 0 EGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1O2 ZINC000333232271 308853970 /nfs/dbraw/zinc/85/39/70/308853970.db2.gz OKQLDYNMLZCPTJ-ZMSDIMECSA-N 2 0 343.471 3.268 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000411488505 308941206 /nfs/dbraw/zinc/94/12/06/308941206.db2.gz KZJVIDSAZTXXEC-QGZVFWFLSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414854826 309105883 /nfs/dbraw/zinc/10/58/83/309105883.db2.gz USEREQYHQROWTL-SFHVURJKSA-N 2 0 326.488 3.028 20 0 EGADRP COc1cc(C[NH2+]CCCC[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414906726 309108514 /nfs/dbraw/zinc/10/85/14/309108514.db2.gz POEBMLJKCKOXMI-UHFFFAOYSA-N 2 0 332.419 3.242 20 0 EGADRP COc1cccc(C[C@H](C)[NH2+][C@H](CN)c2ccc3ccccc3c2)n1 ZINC000414934608 309109919 /nfs/dbraw/zinc/10/99/19/309109919.db2.gz FIASVAHCSLPNSP-MGPUTAFESA-N 2 0 335.451 3.464 20 0 EGADRP COC[C@]1(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCC[NH2+]1 ZINC000414950199 309110850 /nfs/dbraw/zinc/11/08/50/309110850.db2.gz DSZHJWFTQDBRGK-JOCHJYFZSA-N 2 0 338.495 3.199 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000414965406 309111967 /nfs/dbraw/zinc/11/19/67/309111967.db2.gz FSJSJODOUIHTAU-IBGZPJMESA-N 2 0 325.456 3.138 20 0 EGADRP c1ccc(OCc2cccnc2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414972633 309112384 /nfs/dbraw/zinc/11/23/84/309112384.db2.gz MONZTGOYLYJNMD-LJQANCHMSA-N 2 0 325.456 3.282 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414982051 309112749 /nfs/dbraw/zinc/11/27/49/309112749.db2.gz YEZASUOQTCXKLM-WOZUAGRISA-N 3 0 327.516 3.019 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000414987761 309112903 /nfs/dbraw/zinc/11/29/03/309112903.db2.gz DYMXGCPCPVWCSE-RTBURBONSA-N 2 0 325.456 3.268 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000414998612 309113558 /nfs/dbraw/zinc/11/35/58/309113558.db2.gz IIFHHNNFNQEERV-SRHPJPHMSA-N 2 0 327.516 3.004 20 0 EGADRP COc1sc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415011545 309114217 /nfs/dbraw/zinc/11/42/17/309114217.db2.gz WCESFUHINIAVMK-VHSXEESVSA-N 2 0 333.295 3.126 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000415017672 309114582 /nfs/dbraw/zinc/11/45/82/309114582.db2.gz FRSQLZOIXAMAED-INIZCTEOSA-N 2 0 326.488 3.442 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000415026644 309115021 /nfs/dbraw/zinc/11/50/21/309115021.db2.gz UFKVPRQHWSSUAM-HAQNSBGRSA-N 2 0 329.257 3.443 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000415036008 309115692 /nfs/dbraw/zinc/11/56/92/309115692.db2.gz KZUSAOIEUZLCME-BXKDBHETSA-N 2 0 349.219 3.268 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000415026386 309115086 /nfs/dbraw/zinc/11/50/86/309115086.db2.gz UCZFKPNGKCYWQJ-INIZCTEOSA-N 2 0 328.504 3.446 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415029097 309115365 /nfs/dbraw/zinc/11/53/65/309115365.db2.gz DGSUMJPMDWFPKA-GWCFXTLKSA-N 2 0 329.307 3.388 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415034965 309115567 /nfs/dbraw/zinc/11/55/67/309115567.db2.gz INTLRROYPWKNMD-HUUCEWRRSA-N 2 0 331.287 3.283 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000415049738 309116436 /nfs/dbraw/zinc/11/64/36/309116436.db2.gz YANQVPBWWAAWPN-APWZRJJASA-N 2 0 347.466 3.151 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 ZINC000415056224 309117132 /nfs/dbraw/zinc/11/71/32/309117132.db2.gz PNWIJTUFTSHUSQ-SFHVURJKSA-N 2 0 326.440 3.418 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000415082218 309119022 /nfs/dbraw/zinc/11/90/22/309119022.db2.gz CTFZFQKJCUOFGZ-OAHLLOKOSA-N 2 0 341.455 3.072 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000415083037 309119078 /nfs/dbraw/zinc/11/90/78/309119078.db2.gz DXMNMMNRZOCDQL-AGIUHOORSA-N 2 0 341.293 3.496 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000415086636 309119315 /nfs/dbraw/zinc/11/93/15/309119315.db2.gz JVRLDZCWGRDCEI-VAMGGRTRSA-N 2 0 338.499 3.499 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415101571 309120500 /nfs/dbraw/zinc/12/05/00/309120500.db2.gz CHAHREYBRFDACU-DUXKGJEZSA-N 2 0 330.516 3.474 20 0 EGADRP CC1(C)Cc2cc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)ccc2O1 ZINC000415104486 309120587 /nfs/dbraw/zinc/12/05/87/309120587.db2.gz GZLKOJPHADUIIQ-ICSRJNTNSA-N 2 0 344.499 3.118 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000415108590 309120940 /nfs/dbraw/zinc/12/09/40/309120940.db2.gz MNXNTRZABYFHIK-INIZCTEOSA-N 2 0 330.394 3.078 20 0 EGADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132784 309122843 /nfs/dbraw/zinc/12/28/43/309122843.db2.gz LZDOJMUGEGIRDD-UXHICEINSA-N 2 0 329.532 3.394 20 0 EGADRP NC1(C[NH2+]Cc2cc(Cl)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000415134185 309122949 /nfs/dbraw/zinc/12/29/49/309122949.db2.gz OBTGXRBDQWBFTI-UHFFFAOYSA-N 2 0 349.931 3.485 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1C[NH3+] ZINC000415135490 309122999 /nfs/dbraw/zinc/12/29/99/309122999.db2.gz WSDPNQIBHRIYGG-FUHWJXTLSA-N 2 0 325.456 3.077 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415137700 309123144 /nfs/dbraw/zinc/12/31/44/309123144.db2.gz YHIVFZJBQVIIJD-ICSRJNTNSA-N 2 0 332.488 3.192 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C12CCC[NH+]1CCC2 ZINC000415320562 309131002 /nfs/dbraw/zinc/13/10/02/309131002.db2.gz VMXOYBFMQGEPGW-UHFFFAOYSA-N 2 0 327.472 3.158 20 0 EGADRP CC[NH2+]CC1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000415792660 309143934 /nfs/dbraw/zinc/14/39/34/309143934.db2.gz SMDSXLCRTDXGKY-IBGZPJMESA-N 2 0 344.503 3.089 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415888832 309146122 /nfs/dbraw/zinc/14/61/22/309146122.db2.gz ATTZEALUFUOYMD-UHFFFAOYSA-N 2 0 344.503 3.062 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000415906648 309147514 /nfs/dbraw/zinc/14/75/14/309147514.db2.gz YFUFILLFATVPIM-MRXNPFEDSA-N 2 0 340.471 3.048 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000415909068 309147653 /nfs/dbraw/zinc/14/76/53/309147653.db2.gz RMMJDQMREGKGKG-LJQANCHMSA-N 2 0 344.503 3.182 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000415966776 309151762 /nfs/dbraw/zinc/15/17/62/309151762.db2.gz AICQTOBLHNHFIR-UHFFFAOYSA-N 2 0 344.503 3.182 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccco1 ZINC000415969590 309151852 /nfs/dbraw/zinc/15/18/52/309151852.db2.gz GMHKPJYKADNFLG-QGZVFWFLSA-N 2 0 344.459 3.204 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415971860 309152046 /nfs/dbraw/zinc/15/20/46/309152046.db2.gz LFWGUIXJGTWKSY-UHFFFAOYSA-N 2 0 346.519 3.382 20 0 EGADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972029 309152089 /nfs/dbraw/zinc/15/20/89/309152089.db2.gz OLMXSLNVONWEKZ-NSHDSACASA-N 2 0 346.397 3.014 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000415990675 309153322 /nfs/dbraw/zinc/15/33/22/309153322.db2.gz NVZSCPOGZDUGDI-LJQANCHMSA-N 2 0 346.519 3.284 20 0 EGADRP C[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000416128786 309160012 /nfs/dbraw/zinc/16/00/12/309160012.db2.gz GYCHNAAACRKGOT-ZHALLVOQSA-N 2 0 331.504 3.059 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417321387 309201536 /nfs/dbraw/zinc/20/15/36/309201536.db2.gz LMWUDSZEIHONLX-FGTMMUONSA-N 2 0 335.561 3.247 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n(C)n1 ZINC000417871284 309226076 /nfs/dbraw/zinc/22/60/76/309226076.db2.gz GNVGRAJEPGFFGA-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417982211 309230605 /nfs/dbraw/zinc/23/06/05/309230605.db2.gz MXMMIJJORXBOMU-FKBYEOEOSA-N 2 0 336.479 3.147 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@@]4(CC[NH2+]C4)C3)c2cc1OCC ZINC000420230093 309277664 /nfs/dbraw/zinc/27/76/64/309277664.db2.gz OUONYGLKWALRMF-HXUWFJFHSA-N 2 0 341.455 3.222 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000420278675 309279250 /nfs/dbraw/zinc/27/92/50/309279250.db2.gz WAJFWUZFISANMN-HXUWFJFHSA-N 2 0 337.467 3.346 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420286184 309279315 /nfs/dbraw/zinc/27/93/15/309279315.db2.gz FTSISYFFVWAAQG-ZIAGYGMSSA-N 2 0 330.428 3.169 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420298439 309280198 /nfs/dbraw/zinc/28/01/98/309280198.db2.gz FHJXMYBTWSGLAX-OAHLLOKOSA-N 2 0 330.451 3.080 20 0 EGADRP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000420313600 309281191 /nfs/dbraw/zinc/28/11/91/309281191.db2.gz YDIFFWBJKFQRGG-IJXRJRJASA-N 2 0 346.515 3.263 20 0 EGADRP Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420314531 309281450 /nfs/dbraw/zinc/28/14/50/309281450.db2.gz KFWTUCBIANFMRU-KDOFPFPSSA-N 2 0 328.435 3.352 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cncc(OCc4ccccc4)c3)C[C@H]21 ZINC000420317623 309281466 /nfs/dbraw/zinc/28/14/66/309281466.db2.gz ZRARFGUKRJHVSR-CEWLAPEOSA-N 2 0 337.467 3.220 20 0 EGADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314545 309281648 /nfs/dbraw/zinc/28/16/48/309281648.db2.gz KIVBSZMDTWYTCN-IFMALSPDSA-N 3 0 341.543 3.364 20 0 EGADRP CCOc1cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000420319433 309281729 /nfs/dbraw/zinc/28/17/29/309281729.db2.gz PNKZJZMJYFVLAA-ZDUSSCGKSA-N 2 0 328.403 3.118 20 0 EGADRP CC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)[C@H]1CCC[NH2+]CC1 ZINC000420319598 309281731 /nfs/dbraw/zinc/28/17/31/309281731.db2.gz XWRVJBCWGLKOBF-INIZCTEOSA-N 2 0 330.428 3.183 20 0 EGADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319338 309281793 /nfs/dbraw/zinc/28/17/93/309281793.db2.gz PFYRAPCHNLIECA-SFHVURJKSA-N 2 0 328.456 3.268 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420319833 309281933 /nfs/dbraw/zinc/28/19/33/309281933.db2.gz AOXWBYXGWWXYEI-IAGOWNOFSA-N 2 0 341.455 3.172 20 0 EGADRP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322740 309281978 /nfs/dbraw/zinc/28/19/78/309281978.db2.gz FFJMLFAKJOLBFN-CVEARBPZSA-N 2 0 342.512 3.130 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCC23CC4CC(CC(C4)C2)C3)CC12CCOCC2 ZINC000420321545 309282045 /nfs/dbraw/zinc/28/20/45/309282045.db2.gz CRVRUEOGPNOENR-NRFBVMONSA-N 2 0 332.532 3.280 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000420320552 309282129 /nfs/dbraw/zinc/28/21/29/309282129.db2.gz QOWVGICYFVWBPN-BDTNDASRSA-N 2 0 336.479 3.069 20 0 EGADRP CCOc1cc2c(cc1OCC)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420326753 309282281 /nfs/dbraw/zinc/28/22/81/309282281.db2.gz XOSDVKZKXQRPGJ-MRXNPFEDSA-N 2 0 332.488 3.232 20 0 EGADRP Cc1ccc(SCC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000420328916 309282677 /nfs/dbraw/zinc/28/26/77/309282677.db2.gz NLQNILNXYURTPN-QGZVFWFLSA-N 2 0 334.529 3.083 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340054 309283247 /nfs/dbraw/zinc/28/32/47/309283247.db2.gz MLOKLPFPARTWBL-MSOLQXFVSA-N 2 0 330.472 3.109 20 0 EGADRP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420339504 309283276 /nfs/dbraw/zinc/28/32/76/309283276.db2.gz LWLPNBSWVKUKHM-ROUUACIJSA-N 2 0 340.471 3.121 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420343693 309283466 /nfs/dbraw/zinc/28/34/66/309283466.db2.gz ZUTLVGDNKVMBRD-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1c(-c2ccccc2)nc2ccccn21 ZINC000420365007 309284435 /nfs/dbraw/zinc/28/44/35/309284435.db2.gz PSWXCEISXIPPRZ-SFHVURJKSA-N 2 0 334.467 3.479 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000420380495 309285406 /nfs/dbraw/zinc/28/54/06/309285406.db2.gz BYJAMBZFMXDRFI-RHSMWYFYSA-N 2 0 335.879 3.133 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000420382368 309285435 /nfs/dbraw/zinc/28/54/35/309285435.db2.gz PRPJXWSOCKJXJL-RBUKOAKNSA-N 2 0 336.907 3.491 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420387285 309285670 /nfs/dbraw/zinc/28/56/70/309285670.db2.gz VSIRPTFOXGRHKL-KXBFYZLASA-N 2 0 327.476 3.258 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000420386540 309285721 /nfs/dbraw/zinc/28/57/21/309285721.db2.gz UYEOABQYGYKFFE-RDTXWAMCSA-N 2 0 331.485 3.015 20 0 EGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)nn1 ZINC000420390935 309285842 /nfs/dbraw/zinc/28/58/42/309285842.db2.gz ZZLFYWHAKASUIE-HXUWFJFHSA-N 2 0 349.482 3.160 20 0 EGADRP CC(C)([NH3+])c1noc(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000420397420 309286404 /nfs/dbraw/zinc/28/64/04/309286404.db2.gz GFYJNEKUAYHBQB-CVEARBPZSA-N 2 0 328.460 3.155 20 0 EGADRP Cc1cc(CNC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc(C)n1 ZINC000420812952 309296177 /nfs/dbraw/zinc/29/61/77/309296177.db2.gz GSDNNICWPNLSHW-GOSISDBHSA-N 2 0 332.492 3.008 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000420973729 309305429 /nfs/dbraw/zinc/30/54/29/309305429.db2.gz CRONTJCOWFXGQP-SFTDATJTSA-N 2 0 345.506 3.174 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c(C)cccc3C)CC2)CC1 ZINC000420984835 309305904 /nfs/dbraw/zinc/30/59/04/309305904.db2.gz UQVJDUKTWBPBLO-UHFFFAOYSA-N 2 0 329.532 3.295 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3ccccc3C)CC2)CC1 ZINC000420987117 309306031 /nfs/dbraw/zinc/30/60/31/309306031.db2.gz ZZEIHULSDBCCGE-UHFFFAOYSA-N 2 0 343.559 3.420 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000421858621 309343778 /nfs/dbraw/zinc/34/37/78/309343778.db2.gz ROMJVFMYCFKKKO-CQSZACIVSA-N 2 0 341.902 3.026 20 0 EGADRP CON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000421875106 309344542 /nfs/dbraw/zinc/34/45/42/309344542.db2.gz JPNITARJVPCRRL-HBMCJLEFSA-N 2 0 343.515 3.045 20 0 EGADRP C[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)Sc1ccc(Br)cc1 ZINC000422957624 309378102 /nfs/dbraw/zinc/37/81/02/309378102.db2.gz NSEAWZRLXSMKIL-GHMZBOCLSA-N 2 0 329.307 3.127 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422687273 309363326 /nfs/dbraw/zinc/36/33/26/309363326.db2.gz BIBKYNSRTMEAKT-MAUKXSAKSA-N 2 0 327.428 3.100 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422700004 309363644 /nfs/dbraw/zinc/36/36/44/309363644.db2.gz FTLKDWBAAKCIIX-IAQYHMDHSA-N 2 0 329.257 3.108 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422710151 309364137 /nfs/dbraw/zinc/36/41/37/309364137.db2.gz LAIWRVBKPVYTSF-DZGCQCFKSA-N 2 0 340.309 3.135 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000422710390 309364147 /nfs/dbraw/zinc/36/41/47/309364147.db2.gz LCVHLXKBMKLJEN-SQNIBIBYSA-N 2 0 331.504 3.174 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422712540 309364472 /nfs/dbraw/zinc/36/44/72/309364472.db2.gz IMIVFLDQIRYWLA-SFTDATJTSA-N 2 0 339.483 3.252 20 0 EGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422716680 309364722 /nfs/dbraw/zinc/36/47/22/309364722.db2.gz NQAYOKIARNDRDF-XOBRGWDASA-N 2 0 328.431 3.316 20 0 EGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422720435 309364780 /nfs/dbraw/zinc/36/47/80/309364780.db2.gz MLPLVZBMIMFDMH-ZIAGYGMSSA-N 2 0 345.443 3.107 20 0 EGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cn1 ZINC000422723602 309365175 /nfs/dbraw/zinc/36/51/75/309365175.db2.gz RYIIUANKAWCDAF-AWEZNQCLSA-N 2 0 345.443 3.108 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422728739 309365584 /nfs/dbraw/zinc/36/55/84/309365584.db2.gz GVWFDPYYYOEZFQ-NDXORKPFSA-N 2 0 340.467 3.108 20 0 EGADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1C ZINC000422735167 309365856 /nfs/dbraw/zinc/36/58/56/309365856.db2.gz DLOPFIGESVZFOL-XUVXKRRUSA-N 2 0 341.499 3.340 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422740883 309366015 /nfs/dbraw/zinc/36/60/15/309366015.db2.gz CLJPAGDWPXXMKU-KBPBESRZSA-N 2 0 338.879 3.312 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N(C)C ZINC000422744967 309366282 /nfs/dbraw/zinc/36/62/82/309366282.db2.gz LBIPOCNMNLTBSG-NBYUQASBSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422749480 309366436 /nfs/dbraw/zinc/36/64/36/309366436.db2.gz ZJMYIBYCJBBIFU-CZUORRHYSA-N 2 0 337.305 3.458 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2C)CC[NH2+]CC1 ZINC000422748261 309366487 /nfs/dbraw/zinc/36/64/87/309366487.db2.gz SWACFMVARCLJBM-IAGOWNOFSA-N 2 0 332.488 3.275 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422749481 309366507 /nfs/dbraw/zinc/36/65/07/309366507.db2.gz ZJMYIBYCJBBIFU-XJKSGUPXSA-N 2 0 337.305 3.458 20 0 EGADRP CCC[C@@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccc1 ZINC000422755732 309366750 /nfs/dbraw/zinc/36/67/50/309366750.db2.gz GEHDYHSRWBPULU-SJLPKXTDSA-N 2 0 332.488 3.439 20 0 EGADRP C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1C[NH2+]C1 ZINC000422757930 309366843 /nfs/dbraw/zinc/36/68/43/309366843.db2.gz DHBHHEMAOKMWKI-INIZCTEOSA-N 2 0 332.451 3.237 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422773265 309367511 /nfs/dbraw/zinc/36/75/11/309367511.db2.gz ZOUATVPUHSKRKC-ZIAGYGMSSA-N 2 0 344.421 3.469 20 0 EGADRP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422772939 309367619 /nfs/dbraw/zinc/36/76/19/309367619.db2.gz ZUUACIDLZGQYNC-OJAHFUOMSA-N 2 0 331.479 3.305 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422781115 309367844 /nfs/dbraw/zinc/36/78/44/309367844.db2.gz KKRQFWLARRXLRR-DZKIICNBSA-N 2 0 330.451 3.359 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000422780988 309367985 /nfs/dbraw/zinc/36/79/85/309367985.db2.gz IGVFOEHNJNJQJV-BKQLOGFTSA-N 2 0 339.277 3.391 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000422785459 309368055 /nfs/dbraw/zinc/36/80/55/309368055.db2.gz JSXVSEFYHBZFHF-WOJBJXKFSA-N 2 0 336.414 3.288 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422788503 309368314 /nfs/dbraw/zinc/36/83/14/309368314.db2.gz AVFNAENFCRSIFZ-YSIASYRMSA-N 2 0 333.520 3.185 20 0 EGADRP CC[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422789851 309368524 /nfs/dbraw/zinc/36/85/24/309368524.db2.gz SQJRZOZGJKLXKQ-MOPGFXCFSA-N 2 0 335.923 3.425 20 0 EGADRP Clc1cnc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422793326 309368757 /nfs/dbraw/zinc/36/87/57/309368757.db2.gz XZBVUPNSAQQGMZ-BPLDGKMQSA-N 2 0 343.302 3.311 20 0 EGADRP C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)C1C[NH2+]C1 ZINC000422813159 309369758 /nfs/dbraw/zinc/36/97/58/309369758.db2.gz ROQIZDRIFCAHQL-KRWDZBQOSA-N 2 0 346.478 3.296 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422829536 309370647 /nfs/dbraw/zinc/37/06/47/309370647.db2.gz USHPYHSKHIQQGB-PKOBYXMFSA-N 2 0 326.488 3.315 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000422828796 309370651 /nfs/dbraw/zinc/37/06/51/309370651.db2.gz BHGPASSFQYTCCJ-CHWSQXEVSA-N 2 0 329.282 3.324 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1)c1ccccc1 ZINC000422840970 309371324 /nfs/dbraw/zinc/37/13/24/309371324.db2.gz CLIKYWMMPSSHDJ-FXAWDEMLSA-N 2 0 345.531 3.278 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845141 309371662 /nfs/dbraw/zinc/37/16/62/309371662.db2.gz NORWUBNGDPMENA-YPAWHYETSA-N 2 0 341.543 3.204 20 0 EGADRP c1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422847526 309371876 /nfs/dbraw/zinc/37/18/76/309371876.db2.gz RNOKHLWGAVXJLA-XUVXKRRUSA-N 2 0 328.500 3.245 20 0 EGADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422860127 309372460 /nfs/dbraw/zinc/37/24/60/309372460.db2.gz LOXWIUXRBSSTRA-PCCBWWKXSA-N 2 0 338.499 3.315 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867134 309372688 /nfs/dbraw/zinc/37/26/88/309372688.db2.gz RPHDWSOLSIHEBE-RYGJVYDSSA-N 2 0 326.440 3.321 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1OC(F)F ZINC000422876442 309373452 /nfs/dbraw/zinc/37/34/52/309373452.db2.gz FUKOUACKTWSCBQ-ZIAGYGMSSA-N 2 0 328.403 3.089 20 0 EGADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878563 309373546 /nfs/dbraw/zinc/37/35/46/309373546.db2.gz KHFVMAPPCCRYCM-BEFAXECRSA-N 2 0 335.923 3.140 20 0 EGADRP C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887467 309374342 /nfs/dbraw/zinc/37/43/42/309374342.db2.gz YTVFZFAWTNXVLH-HNAYVOBHSA-N 2 0 341.524 3.045 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422890293 309374394 /nfs/dbraw/zinc/37/43/94/309374394.db2.gz IBHWDUJHXHEUQP-PKOBYXMFSA-N 2 0 333.520 3.027 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(N2CCCCC2)n1 ZINC000422894754 309374715 /nfs/dbraw/zinc/37/47/15/309374715.db2.gz DDTOMGKTNBVKBN-CEXWTWQISA-N 2 0 328.504 3.082 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@H](C)CCCC[NH3+])cn2)c1 ZINC000422895901 309374794 /nfs/dbraw/zinc/37/47/94/309374794.db2.gz GSALZESASLRLNN-OAHLLOKOSA-N 2 0 329.444 3.490 20 0 EGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422899755 309375040 /nfs/dbraw/zinc/37/50/40/309375040.db2.gz IFIZZLXQXOPMHO-KBPBESRZSA-N 2 0 340.895 3.112 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000422901510 309375119 /nfs/dbraw/zinc/37/51/19/309375119.db2.gz LDTMGHNLBSCZOF-KFKAGJAMSA-N 2 0 334.479 3.370 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901317 309375240 /nfs/dbraw/zinc/37/52/40/309375240.db2.gz RXPRHKVCGZYKFB-MDKPJZGXSA-N 2 0 341.474 3.200 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422926647 309376402 /nfs/dbraw/zinc/37/64/02/309376402.db2.gz XFSRKEIVNNUDPP-FVCZOJIISA-N 2 0 331.504 3.225 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422936138 309377034 /nfs/dbraw/zinc/37/70/34/309377034.db2.gz IBPGZQXVHDYCIJ-YLJYHZDGSA-N 2 0 342.414 3.180 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957867 309378219 /nfs/dbraw/zinc/37/82/19/309378219.db2.gz VNOFMFLKONNUON-JKSUJKDBSA-N 2 0 330.501 3.245 20 0 EGADRP Fc1cccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000422959333 309378357 /nfs/dbraw/zinc/37/83/57/309378357.db2.gz RPSWZURLDHFXSK-PXNSSMCTSA-N 2 0 344.405 3.353 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422969361 309378890 /nfs/dbraw/zinc/37/88/90/309378890.db2.gz UEHIHHGJEBXUPF-RXVVDRJESA-N 3 0 329.532 3.396 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(OC2CCCC2)n1 ZINC000422968411 309379037 /nfs/dbraw/zinc/37/90/37/309379037.db2.gz WTNHXNNJCQYBNP-IPMKNSEASA-N 2 0 329.488 3.413 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000423000554 309380234 /nfs/dbraw/zinc/38/02/34/309380234.db2.gz VMOIRVDGSZEXJW-PYDZWBSCSA-N 2 0 344.499 3.184 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423010462 309380733 /nfs/dbraw/zinc/38/07/33/309380733.db2.gz GIJPUPCQVXVRPH-CYBMUJFWSA-N 2 0 326.444 3.026 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423013857 309380921 /nfs/dbraw/zinc/38/09/21/309380921.db2.gz NOJKDDWXURBSCZ-APWZRJJASA-N 2 0 326.488 3.488 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(OC2CCC2)n1 ZINC000423015113 309380940 /nfs/dbraw/zinc/38/09/40/309380940.db2.gz QLWGHDHDSDAPLZ-IPMKNSEASA-N 2 0 329.488 3.413 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nccs1 ZINC000423041217 309382580 /nfs/dbraw/zinc/38/25/80/309382580.db2.gz WLQAHLJLEHCYAZ-SIIHOXLZSA-N 2 0 329.469 3.092 20 0 EGADRP C[C@@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000423054492 309383462 /nfs/dbraw/zinc/38/34/62/309383462.db2.gz UUQGXYCFAWDHHJ-DAXOMENPSA-N 2 0 329.410 3.038 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423057324 309383644 /nfs/dbraw/zinc/38/36/44/309383644.db2.gz HAMBTWLNWRYICG-GUYJKWIASA-N 2 0 330.394 3.151 20 0 EGADRP Fc1ccc(CCCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423059555 309383666 /nfs/dbraw/zinc/38/36/66/309383666.db2.gz FUJMRVVMZKBBTN-HSALFYBXSA-N 2 0 334.479 3.285 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423084912 309385252 /nfs/dbraw/zinc/38/52/52/309385252.db2.gz IYEANFBIVUEZFE-YOEHRIQHSA-N 2 0 329.419 3.491 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000423104968 309386095 /nfs/dbraw/zinc/38/60/95/309386095.db2.gz HVBRPFAFUQVLCP-XBVQOTNRSA-N 2 0 348.491 3.068 20 0 EGADRP COCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423107988 309386214 /nfs/dbraw/zinc/38/62/14/309386214.db2.gz QJNCGQPEEHCAMA-HSALFYBXSA-N 2 0 332.488 3.112 20 0 EGADRP CCc1nc2cc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)ccc2n1C1CC1 ZINC000423107833 309386315 /nfs/dbraw/zinc/38/63/15/309386315.db2.gz FJLWQFFMLLEOID-PBHICJAKSA-N 2 0 326.488 3.411 20 0 EGADRP CCc1nc2cc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)ccc2n1C1CC1 ZINC000423107836 309386369 /nfs/dbraw/zinc/38/63/69/309386369.db2.gz FJLWQFFMLLEOID-YOEHRIQHSA-N 2 0 326.488 3.411 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000423122137 309386983 /nfs/dbraw/zinc/38/69/83/309386983.db2.gz JDMXUJVUWYABTP-SCLBCKFNSA-N 2 0 333.863 3.276 20 0 EGADRP CC(C)Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000423124881 309387065 /nfs/dbraw/zinc/38/70/65/309387065.db2.gz MVRVQSWLLNPNRS-JKWVGCSGSA-N 2 0 329.532 3.360 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423121814 309387097 /nfs/dbraw/zinc/38/70/97/309387097.db2.gz JCGLVUHCRNCTKJ-AHRSYUTCSA-N 2 0 333.520 3.197 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423131112 309387360 /nfs/dbraw/zinc/38/73/60/309387360.db2.gz ZEWYTYGOJPQGPK-APWZRJJASA-N 2 0 330.520 3.391 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCCC23CCCC3)CC[NH2+]CC1 ZINC000423132700 309387538 /nfs/dbraw/zinc/38/75/38/309387538.db2.gz BYQIOMPQYROFBC-IAGOWNOFSA-N 2 0 336.520 3.400 20 0 EGADRP COc1cc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1Cl ZINC000423132406 309387659 /nfs/dbraw/zinc/38/76/59/309387659.db2.gz JEHMSKNFGRDZKW-GFCCVEGCSA-N 2 0 333.863 3.404 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423151231 309388573 /nfs/dbraw/zinc/38/85/73/309388573.db2.gz CAWSIEYDDDWOJW-FZKQIMNGSA-N 2 0 336.838 3.406 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000423165510 309388948 /nfs/dbraw/zinc/38/89/48/309388948.db2.gz YFCWEWBLLXTYAY-MOQPWLNLSA-N 2 0 330.394 3.236 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423165806 309388990 /nfs/dbraw/zinc/38/89/90/309388990.db2.gz UXTREMUXAIQMDG-MISYRCLQSA-N 2 0 344.524 3.461 20 0 EGADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423170428 309389051 /nfs/dbraw/zinc/38/90/51/309389051.db2.gz LVXSZDVWMKZJOJ-GYRMQKGHSA-N 2 0 338.854 3.082 20 0 EGADRP Clc1cccc(CC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000423172227 309389220 /nfs/dbraw/zinc/38/92/20/309389220.db2.gz RVTGYUUORBGTFO-CEXWTWQISA-N 2 0 348.918 3.409 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423182447 309389277 /nfs/dbraw/zinc/38/92/77/309389277.db2.gz KJMMYIYLIDPORQ-KRWDZBQOSA-N 2 0 343.437 3.287 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000423195039 309390081 /nfs/dbraw/zinc/39/00/81/309390081.db2.gz XHRQWOGFDFNITR-RXVVDRJESA-N 2 0 337.467 3.205 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423199776 309390178 /nfs/dbraw/zinc/39/01/78/309390178.db2.gz CQQCUJNXTOUMOA-CQSZACIVSA-N 2 0 333.476 3.110 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423212714 309390700 /nfs/dbraw/zinc/39/07/00/309390700.db2.gz MDAOYXQUNURYCF-JKSUJKDBSA-N 2 0 332.492 3.211 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)[C@H]1CCC[NH2+]C1 ZINC000423222131 309391260 /nfs/dbraw/zinc/39/12/60/309391260.db2.gz ZUCKQPCVPXILCT-YLQAJVPDSA-N 2 0 337.305 3.284 20 0 EGADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423252868 309392412 /nfs/dbraw/zinc/39/24/12/309392412.db2.gz UYMVLTKXHKSIFE-IUODEOHRSA-N 2 0 339.277 3.252 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000423258400 309392700 /nfs/dbraw/zinc/39/27/00/309392700.db2.gz MAKSOMVQUFUMLT-QWHCGFSZSA-N 2 0 328.403 3.337 20 0 EGADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423260289 309392814 /nfs/dbraw/zinc/39/28/14/309392814.db2.gz PWCCVVZVYGJFPQ-XJKSGUPXSA-N 2 0 330.394 3.372 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423271558 309393393 /nfs/dbraw/zinc/39/33/93/309393393.db2.gz IVUMFUGUDOZJMG-JKLQHZFJSA-N 3 0 341.543 3.409 20 0 EGADRP COc1ccc([C@H]([NH2+]CCCC[NH3+])C(C)C)c(Br)c1 ZINC000423317707 309394909 /nfs/dbraw/zinc/39/49/09/309394909.db2.gz CYMQEZMIUCPLAC-OAHLLOKOSA-N 2 0 329.282 3.483 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000423318378 309395015 /nfs/dbraw/zinc/39/50/15/309395015.db2.gz KYFIJFYTNZYIHH-IBGZPJMESA-N 2 0 339.483 3.091 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423328137 309395370 /nfs/dbraw/zinc/39/53/70/309395370.db2.gz AGBCFPZUYHHWSZ-AWEZNQCLSA-N 2 0 325.225 3.085 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000423337838 309395930 /nfs/dbraw/zinc/39/59/30/309395930.db2.gz UFHCMAMTTCPNQH-RYRKJORJSA-N 2 0 331.504 3.092 20 0 EGADRP C[N@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000423337266 309396085 /nfs/dbraw/zinc/39/60/85/309396085.db2.gz UCCJSLCXDIJDFJ-GOSISDBHSA-N 2 0 331.504 3.093 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423340551 309396092 /nfs/dbraw/zinc/39/60/92/309396092.db2.gz XJTBBXAPYHNMQN-SLFFLAALSA-N 2 0 327.516 3.148 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423348339 309396417 /nfs/dbraw/zinc/39/64/17/309396417.db2.gz TUSQLNUAZTVYKO-MLGOLLRUSA-N 2 0 343.284 3.499 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(N)ccc32)[C@@H](C)C1 ZINC000423353332 309396560 /nfs/dbraw/zinc/39/65/60/309396560.db2.gz LSUNSBRZZDHBLA-NDXORKPFSA-N 2 0 345.531 3.373 20 0 EGADRP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423362342 309397001 /nfs/dbraw/zinc/39/70/01/309397001.db2.gz SSJQWLUGQWEXCO-QMTHXVAHSA-N 2 0 327.241 3.307 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000423375699 309397781 /nfs/dbraw/zinc/39/77/81/309397781.db2.gz DDKCWRZUKBAJTA-HUUCEWRRSA-N 2 0 349.828 3.217 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC[NH2+]CC1 ZINC000423403987 309398717 /nfs/dbraw/zinc/39/87/17/309398717.db2.gz IBXZPONHZPCARW-GFCCVEGCSA-N 2 0 346.393 3.094 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccccc2Br)CC[NH2+]CC1 ZINC000423402425 309398776 /nfs/dbraw/zinc/39/87/76/309398776.db2.gz WXABJXCCKUFHME-CYBMUJFWSA-N 2 0 341.293 3.116 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC[NH2+]CC1 ZINC000423409843 309399000 /nfs/dbraw/zinc/39/90/00/309399000.db2.gz QTUOIHAYRFFNCM-GOSISDBHSA-N 2 0 327.472 3.151 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423417826 309399582 /nfs/dbraw/zinc/39/95/82/309399582.db2.gz TVOARNUDWCGDJE-MOPGFXCFSA-N 2 0 343.515 3.093 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000423427444 309400015 /nfs/dbraw/zinc/40/00/15/309400015.db2.gz QKOMOUQFWFHMDH-SZMVWBNQSA-N 2 0 341.503 3.300 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423481423 309401938 /nfs/dbraw/zinc/40/19/38/309401938.db2.gz WNGJUNWGOGIKIY-HOJAQTOUSA-N 3 0 329.532 3.189 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423491797 309402796 /nfs/dbraw/zinc/40/27/96/309402796.db2.gz KHGUVOAVBXUWTC-WHOFXGATSA-N 2 0 333.867 3.007 20 0 EGADRP Cc1noc(C2CCC([NH2+][C@@H](CCC[NH3+])c3ccccc3)CC2)n1 ZINC000423500400 309403123 /nfs/dbraw/zinc/40/31/23/309403123.db2.gz BVOZATKVARXYDV-ABHNRTSZSA-N 2 0 328.460 3.474 20 0 EGADRP COC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423537099 309405448 /nfs/dbraw/zinc/40/54/48/309405448.db2.gz JBTLDNYIRPBXCZ-INIZCTEOSA-N 2 0 328.378 3.292 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423544374 309405806 /nfs/dbraw/zinc/40/58/06/309405806.db2.gz CTEDIUUCGHKKDQ-CQSZACIVSA-N 2 0 335.879 3.265 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000430576114 309611505 /nfs/dbraw/zinc/61/15/05/309611505.db2.gz RPIWGGGMAYITOY-OAHLLOKOSA-N 2 0 328.460 3.428 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000430845270 309619216 /nfs/dbraw/zinc/61/92/16/309619216.db2.gz BWGCFCFGGSBWPP-XUVXKRRUSA-N 2 0 343.515 3.237 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000430850727 309619396 /nfs/dbraw/zinc/61/93/96/309619396.db2.gz WTPSGFFRZLSWIR-UXHICEINSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000430966453 309622480 /nfs/dbraw/zinc/62/24/80/309622480.db2.gz NSQDVYWMXGINGR-LBPRGKRZSA-N 2 0 343.393 3.093 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000431844087 309644621 /nfs/dbraw/zinc/64/46/21/309644621.db2.gz KTBUCLJNIUFUPG-UYAOXDASSA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432253236 309655901 /nfs/dbraw/zinc/65/59/01/309655901.db2.gz MEEWFWMCACQOFZ-UHFFFAOYSA-N 2 0 336.332 3.171 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3Cc4cccc(O)c4C3)CC2)C1 ZINC000433032162 309675854 /nfs/dbraw/zinc/67/58/54/309675854.db2.gz LHJRXJSCNXTWRJ-ATZDWAIDSA-N 2 0 328.500 3.492 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000443003855 309893532 /nfs/dbraw/zinc/89/35/32/309893532.db2.gz BJENIACOXDJJQG-HNNXBMFYSA-N 2 0 343.437 3.129 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448234159 310000681 /nfs/dbraw/zinc/00/06/81/310000681.db2.gz LKORZJNXALFOED-OTWHNJEPSA-N 2 0 331.504 3.093 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1coc2ccccc12)N1CC[NH+](C)CC1 ZINC000449074293 310034969 /nfs/dbraw/zinc/03/49/69/310034969.db2.gz KGFXMAJOGYLNCH-FXAWDEMLSA-N 2 0 343.515 3.225 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc4ccoc43)CC2)CC1 ZINC000449104540 310037390 /nfs/dbraw/zinc/03/73/90/310037390.db2.gz AAHWIWFGHWOOCJ-UHFFFAOYSA-N 2 0 327.472 3.081 20 0 EGADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449105918 310037463 /nfs/dbraw/zinc/03/74/63/310037463.db2.gz FUPHJRKNHITGFW-WFXMFSGNSA-N 2 0 334.529 3.137 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449163958 310041425 /nfs/dbraw/zinc/04/14/25/310041425.db2.gz XMBGKLCZZZZRIA-DLBZAZTESA-N 2 0 342.483 3.454 20 0 EGADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000449222803 310045791 /nfs/dbraw/zinc/04/57/91/310045791.db2.gz IQMLEBPIBWUNOV-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP COc1ccc(-n2cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn2)cc1 ZINC000449528301 310069236 /nfs/dbraw/zinc/06/92/36/310069236.db2.gz ONRJCKCMLSGFPP-UHFFFAOYSA-N 2 0 330.476 3.091 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449591020 310074283 /nfs/dbraw/zinc/07/42/83/310074283.db2.gz VYGJCPRZINJJLU-OQIJWPOYSA-N 2 0 336.520 3.351 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450326635 310115740 /nfs/dbraw/zinc/11/57/40/310115740.db2.gz IIJHSWIKSUYAJU-KURKYZTESA-N 2 0 343.506 3.302 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000450940656 310151062 /nfs/dbraw/zinc/15/10/62/310151062.db2.gz MCCBGNCWXTUJSM-RTWAWAEBSA-N 2 0 329.532 3.108 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@H]1CCCCC1(F)F ZINC000451036933 310157012 /nfs/dbraw/zinc/15/70/12/310157012.db2.gz NDIXIHBTZWFHJX-QGZVFWFLSA-N 2 0 331.495 3.161 20 0 EGADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000451713641 310194130 /nfs/dbraw/zinc/19/41/30/310194130.db2.gz UWLMIBJLLZGJNK-HXUWFJFHSA-N 2 0 329.532 3.316 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000453058341 310254785 /nfs/dbraw/zinc/25/47/85/310254785.db2.gz KEZLOVZWJSVXMD-GOSISDBHSA-N 2 0 338.499 3.429 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)CO2 ZINC000453061391 310255296 /nfs/dbraw/zinc/25/52/96/310255296.db2.gz PCKFXNOESQGWJE-FUHWJXTLSA-N 2 0 332.488 3.100 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000453095614 310257529 /nfs/dbraw/zinc/25/75/29/310257529.db2.gz WMMOPEZVIWFZBN-LJQANCHMSA-N 2 0 344.528 3.396 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)CO2 ZINC000453123657 310259488 /nfs/dbraw/zinc/25/94/88/310259488.db2.gz PKFFWNWFKUHKSG-GOSISDBHSA-N 2 0 332.488 3.245 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453213697 310264358 /nfs/dbraw/zinc/26/43/58/310264358.db2.gz ATWMHXGZTQAXMM-MXEMCNAFSA-N 2 0 328.500 3.444 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453212286 310264422 /nfs/dbraw/zinc/26/44/22/310264422.db2.gz OBUGFICKXOEZPT-SRHPJPHMSA-N 2 0 328.500 3.180 20 0 EGADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000453391492 310274478 /nfs/dbraw/zinc/27/44/78/310274478.db2.gz DOGIBEKMYQRUCG-BAGYTPMASA-N 3 0 341.543 3.361 20 0 EGADRP Cn1cc([C@H]([NH2+]CCCC[N@H+](C)C2CC2)c2cccc(F)c2)cn1 ZINC000453393218 310274534 /nfs/dbraw/zinc/27/45/34/310274534.db2.gz FOVQBLHSHJEVCJ-LJQANCHMSA-N 2 0 330.451 3.113 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000453407465 310275299 /nfs/dbraw/zinc/27/52/99/310275299.db2.gz RWXNXUGYYUZDCF-QUCCMNQESA-N 3 0 329.532 3.361 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000453588108 310283191 /nfs/dbraw/zinc/28/31/91/310283191.db2.gz YELFJEODTLDYGM-SFHVURJKSA-N 2 0 345.531 3.123 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(-c2cnn(C)c2)c1 ZINC000453598002 310283432 /nfs/dbraw/zinc/28/34/32/310283432.db2.gz OYEMZXKCUOVHAZ-UHFFFAOYSA-N 2 0 326.488 3.360 20 0 EGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455843967 310379165 /nfs/dbraw/zinc/37/91/65/310379165.db2.gz GUVFTHYDCNJTMI-MJGOQNOKSA-N 2 0 344.503 3.184 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455872782 310380502 /nfs/dbraw/zinc/38/05/02/310380502.db2.gz ZDLYBKMQGUOOKU-RDTXWAMCSA-N 2 0 332.492 3.086 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@@H]([NH+](C)C)CC3)ccc21 ZINC000455873415 310380574 /nfs/dbraw/zinc/38/05/74/310380574.db2.gz ZTFJMWUXBOMFPV-MJGOQNOKSA-N 2 0 344.503 3.184 20 0 EGADRP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455931785 310382571 /nfs/dbraw/zinc/38/25/71/310382571.db2.gz PRFFLPRVGITHAB-BEFAXECRSA-N 2 0 344.503 3.089 20 0 EGADRP CC[N@H+](CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C(C)C ZINC000455948854 310383270 /nfs/dbraw/zinc/38/32/70/310383270.db2.gz YLDSOKREUOMYGJ-SFHVURJKSA-N 2 0 332.492 3.087 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+]1CCCCCC1 ZINC000456260101 310395334 /nfs/dbraw/zinc/39/53/34/310395334.db2.gz FEHRFQHZFUIYFK-HNAYVOBHSA-N 2 0 329.488 3.439 20 0 EGADRP c1cnn([C@@H]2CCCC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459441619 310553036 /nfs/dbraw/zinc/55/30/36/310553036.db2.gz OQVSMARQJBCOCF-RTBURBONSA-N 2 0 325.460 3.020 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000482885901 310938695 /nfs/dbraw/zinc/93/86/95/310938695.db2.gz MTQOOQNKZANXQY-SFTDATJTSA-N 2 0 332.532 3.326 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000488410701 311064294 /nfs/dbraw/zinc/06/42/94/311064294.db2.gz ZNWVOXAYZWJKGP-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Br)C[NH+](C)C ZINC000491546015 311184139 /nfs/dbraw/zinc/18/41/39/311184139.db2.gz MAKVDMDIKZWRJU-RYUDHWBXSA-N 2 0 331.273 3.307 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000492769103 311288879 /nfs/dbraw/zinc/28/88/79/311288879.db2.gz LZFLGOZDOZZTPK-NVXWUHKLSA-N 2 0 337.508 3.016 20 0 EGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000493969575 311448711 /nfs/dbraw/zinc/44/87/11/311448711.db2.gz OEZQGBHVXIDLRS-UTKZUKDTSA-N 2 0 342.483 3.493 20 0 EGADRP CCC(C)(C)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000495038388 311533675 /nfs/dbraw/zinc/53/36/75/311533675.db2.gz WBNQQRUJLGPYTJ-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000500974511 311935975 /nfs/dbraw/zinc/93/59/75/311935975.db2.gz FQWIAKIMLOGFLT-HXUWFJFHSA-N 2 0 329.488 3.357 20 0 EGADRP Cc1cc(F)ccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507715747 312081111 /nfs/dbraw/zinc/08/11/11/312081111.db2.gz CNKPFPCXNFALMK-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000510404918 312139819 /nfs/dbraw/zinc/13/98/19/312139819.db2.gz ADNBBEHBJHPIJJ-KURKYZTESA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1F ZINC000512187743 312178605 /nfs/dbraw/zinc/17/86/05/312178605.db2.gz RXYNHBBWWOCFER-IAGOWNOFSA-N 2 0 334.479 3.455 20 0 EGADRP Fc1ccc(/C=C/C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000512480282 312187607 /nfs/dbraw/zinc/18/76/07/312187607.db2.gz MPRQNXLINLSQCU-OWOJBTEDSA-N 2 0 332.463 3.273 20 0 EGADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190430 /nfs/dbraw/zinc/19/04/30/312190430.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512654213 312191644 /nfs/dbraw/zinc/19/16/44/312191644.db2.gz KFCUVYXOWMGJSQ-PMXSJFBMSA-N 2 0 328.500 3.038 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC3([NH3+])CCCCCC3)ccc21 ZINC000519809263 312480543 /nfs/dbraw/zinc/48/05/43/312480543.db2.gz LGKQBTSHUJFMFH-GOSISDBHSA-N 2 0 344.503 3.409 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000523296806 312613821 /nfs/dbraw/zinc/61/38/21/312613821.db2.gz KROGATUBGOBECU-JXAWBTAJSA-N 2 0 336.483 3.027 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000526112788 312794361 /nfs/dbraw/zinc/79/43/61/312794361.db2.gz KWBJAUXOXBBTFA-ZIAGYGMSSA-N 2 0 342.409 3.366 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528894597 313203478 /nfs/dbraw/zinc/20/34/78/313203478.db2.gz FBMAPINXXGQJPE-LJQANCHMSA-N 2 0 344.503 3.277 20 0 EGADRP Cc1ncc(CN2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)n1C ZINC000529643358 313377189 /nfs/dbraw/zinc/37/71/89/313377189.db2.gz ZBCHDSKQABAORM-HXUWFJFHSA-N 2 0 326.488 3.071 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000532520559 313811091 /nfs/dbraw/zinc/81/10/91/313811091.db2.gz AKGDVMJOZGHKDW-SQNIBIBYSA-N 2 0 325.541 3.124 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000533785254 313933358 /nfs/dbraw/zinc/93/33/58/313933358.db2.gz MSFLOIPACHGRDY-DLBZAZTESA-N 2 0 335.561 3.333 20 0 EGADRP COC(=O)[C@]1(C)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000536666509 314136868 /nfs/dbraw/zinc/13/68/68/314136868.db2.gz NAEGHPHBXYXAEE-HXUWFJFHSA-N 2 0 332.488 3.030 20 0 EGADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992130 314222193 /nfs/dbraw/zinc/22/21/93/314222193.db2.gz YESFPQDGYHHCIZ-BXUZGUMPSA-N 2 0 329.271 3.445 20 0 EGADRP CC[NH+]1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000538196643 314231631 /nfs/dbraw/zinc/23/16/31/314231631.db2.gz TZZAQSOFONZSNI-AZUAARDMSA-N 3 0 329.532 3.361 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000538761002 314273689 /nfs/dbraw/zinc/27/36/89/314273689.db2.gz BITLLPWOFKUTSC-FQEVSTJZSA-N 2 0 345.531 3.076 20 0 EGADRP C[C@H]1C[C@@H]1c1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000539523706 314319113 /nfs/dbraw/zinc/31/91/13/314319113.db2.gz ZRNUAJXVXCOZQL-HOCLYGCPSA-N 2 0 326.444 3.162 20 0 EGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000539832592 314343935 /nfs/dbraw/zinc/34/39/35/314343935.db2.gz VJZGGTAHQNHLGQ-LJQANCHMSA-N 2 0 343.515 3.105 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)CC1CC1 ZINC000540050616 314360297 /nfs/dbraw/zinc/36/02/97/314360297.db2.gz WDNQXZSFPICHFF-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000551908361 315177210 /nfs/dbraw/zinc/17/72/10/315177210.db2.gz DMAHXLKJYZNMME-INIZCTEOSA-N 2 0 347.503 3.074 20 0 EGADRP C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1CC(C)C1 ZINC000552979881 315239461 /nfs/dbraw/zinc/23/94/61/315239461.db2.gz DYTSOLBVCDWLNU-QZTJIDSGSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000552996707 315240516 /nfs/dbraw/zinc/24/05/16/315240516.db2.gz DEIDKFFTFRFQCS-GOSISDBHSA-N 2 0 345.531 3.175 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+]1CC(C)C1 ZINC000553327888 315258009 /nfs/dbraw/zinc/25/80/09/315258009.db2.gz VIVVYTGPDYYLQS-MSOLQXFVSA-N 2 0 343.515 3.017 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000554581962 315334719 /nfs/dbraw/zinc/33/47/19/315334719.db2.gz KEAZSVVNZOOEPI-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000557171435 315500232 /nfs/dbraw/zinc/50/02/32/315500232.db2.gz ONLIHYRHCXSSGR-PMACEKPBSA-N 2 0 339.483 3.406 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCC(C)CC2)CC1 ZINC000563926441 316090793 /nfs/dbraw/zinc/09/07/93/316090793.db2.gz XXLYHWPRFJPFBO-UHFFFAOYSA-N 2 0 329.532 3.492 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000565247035 316298998 /nfs/dbraw/zinc/29/89/98/316298998.db2.gz RLTYNYCHIIMSQY-OLZOCXBDSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000565247030 316299013 /nfs/dbraw/zinc/29/90/13/316299013.db2.gz RLTYNYCHIIMSQY-CHWSQXEVSA-N 2 0 326.282 3.227 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000570338254 317042217 /nfs/dbraw/zinc/04/22/17/317042217.db2.gz VSAQVEARBZLFFR-UHFFFAOYSA-N 2 0 332.469 3.249 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000570941789 317130834 /nfs/dbraw/zinc/13/08/34/317130834.db2.gz LALCZKGQWWYHAL-JKSUJKDBSA-N 2 0 326.488 3.357 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000571526890 317212104 /nfs/dbraw/zinc/21/21/04/317212104.db2.gz NDSYIWIKNRWPIC-CRAIPNDOSA-N 2 0 349.544 3.102 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000572292571 317316725 /nfs/dbraw/zinc/31/67/25/317316725.db2.gz LNLQIAJREJGXIN-UHFFFAOYSA-N 2 0 325.456 3.318 20 0 EGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCCCC[C@@H]2[NH3+])CCOCC1)c1ccccc1 ZINC000572510490 317349695 /nfs/dbraw/zinc/34/96/95/317349695.db2.gz ROYARBCLDRYQPW-YSIASYRMSA-N 2 0 345.531 3.136 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCC23CCC3)c2ccccc2)CC1 ZINC000573058615 317429457 /nfs/dbraw/zinc/42/94/57/317429457.db2.gz BZKHFBQXHIBYHM-WOJBJXKFSA-N 2 0 327.516 3.288 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171384562 323232548 /nfs/dbraw/zinc/23/25/48/323232548.db2.gz NRPLBZCTKCFIRR-ZWKOTPCHSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C2)[nH+]1 ZINC000171649173 323244437 /nfs/dbraw/zinc/24/44/37/323244437.db2.gz MHXCLPHRWMDKDI-SFHVURJKSA-N 2 0 346.519 3.017 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)C[NH+](C)C ZINC000381695707 324247451 /nfs/dbraw/zinc/24/74/51/324247451.db2.gz FKANWCSRDRJUPI-MLGOLLRUSA-N 2 0 325.294 3.094 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000382623991 324252530 /nfs/dbraw/zinc/25/25/30/324252530.db2.gz MPYAGMAKZHVCMV-IKGGRYGDSA-N 2 0 339.524 3.142 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000383659750 324257415 /nfs/dbraw/zinc/25/74/15/324257415.db2.gz LGMHENGYQJHXOF-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP COC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000384179849 324259372 /nfs/dbraw/zinc/25/93/72/324259372.db2.gz ZBKQJPYTMRQUCU-VAMGGRTRSA-N 2 0 328.500 3.446 20 0 EGADRP COC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000384179847 324259435 /nfs/dbraw/zinc/25/94/35/324259435.db2.gz ZBKQJPYTMRQUCU-HSALFYBXSA-N 2 0 328.500 3.446 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385881908 324264923 /nfs/dbraw/zinc/26/49/23/324264923.db2.gz BVKLWVLHIHPCLA-FDFHNCONSA-N 2 0 341.543 3.315 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)C1 ZINC000576924968 324707556 /nfs/dbraw/zinc/70/75/56/324707556.db2.gz CXUSLQYIFSJOAF-RTBURBONSA-N 2 0 343.446 3.092 20 0 EGADRP CC[NH2+]CCCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000577044628 324731242 /nfs/dbraw/zinc/73/12/42/324731242.db2.gz LNHNYXVDPSQXMB-UHFFFAOYSA-N 2 0 346.519 3.082 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)C1 ZINC000578143689 324926517 /nfs/dbraw/zinc/92/65/17/324926517.db2.gz YRJRFKJMIXSKAE-ZWKOTPCHSA-N 2 0 341.430 3.438 20 0 EGADRP CCOc1cc(C[NH2+]CC2CC[NH+](CC)CC2)cc(Cl)c1O ZINC000578854599 325027819 /nfs/dbraw/zinc/02/78/19/325027819.db2.gz BZZYBRSEISHQAI-UHFFFAOYSA-N 2 0 326.868 3.266 20 0 EGADRP CC(C)c1[nH+]c(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)c2ccccn21 ZINC000579482530 325116478 /nfs/dbraw/zinc/11/64/78/325116478.db2.gz WMRIHYDMTFZTTM-JKSUJKDBSA-N 2 0 342.487 3.337 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C1 ZINC000579495127 325119375 /nfs/dbraw/zinc/11/93/75/325119375.db2.gz NUNBBJMXHWKOMK-STQMWFEESA-N 2 0 336.277 3.332 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000580567667 325268603 /nfs/dbraw/zinc/26/86/03/325268603.db2.gz HOKUTWDAZBDPPX-RBUKOAKNSA-N 2 0 331.504 3.051 20 0 EGADRP [NH3+][C@@H](CCC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1 ZINC000581180879 325338430 /nfs/dbraw/zinc/33/84/30/325338430.db2.gz SBEKCCHZHZNZPI-HNNXBMFYSA-N 2 0 344.484 3.029 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000582251701 325426659 /nfs/dbraw/zinc/42/66/59/325426659.db2.gz DNZJPOXIJKSWPA-RDBSUJKOSA-N 2 0 328.287 3.432 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000583275414 325510321 /nfs/dbraw/zinc/51/03/21/325510321.db2.gz DTJYUQDWVSHSAI-UHFFFAOYSA-N 2 0 346.515 3.408 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CC2(SC)CCC2)CC1 ZINC000356132733 457474837 /nfs/dbraw/zinc/47/48/37/457474837.db2.gz WCMBGDWOXMYWKN-UHFFFAOYSA-N 2 0 328.566 3.343 20 0 EGADRP [NH3+][C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000237882430 455228555 /nfs/dbraw/zinc/22/85/55/455228555.db2.gz FESLDNBMORVOIM-IBGZPJMESA-N 2 0 343.515 3.382 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CCC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000237916227 455233892 /nfs/dbraw/zinc/23/38/92/455233892.db2.gz FYRPOGVKBWHBLU-FQEVSTJZSA-N 2 0 343.515 3.028 20 0 EGADRP CC[C@@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183148127 455239143 /nfs/dbraw/zinc/23/91/43/455239143.db2.gz IFAXQHDGVUWBHR-ZIBCJSCZSA-N 2 0 330.516 3.285 20 0 EGADRP Fc1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000559761178 459275500 /nfs/dbraw/zinc/27/55/00/459275500.db2.gz XEIMGRLBLKMXCY-MRXNPFEDSA-N 2 0 326.843 3.166 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(CO)cc1 ZINC000189961123 455261299 /nfs/dbraw/zinc/26/12/99/455261299.db2.gz FMSHFACXODWZNW-VSOVRNOCSA-N 2 0 338.495 3.425 20 0 EGADRP C[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000525488378 459460104 /nfs/dbraw/zinc/46/01/04/459460104.db2.gz OHJFKMNUJYCDTD-CQSZACIVSA-N 2 0 341.293 3.102 20 0 EGADRP [NH3+]Cc1cn([C@H]2CC[N@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000631845577 460579508 /nfs/dbraw/zinc/57/95/08/460579508.db2.gz FLHLWEGUSIGTHI-FQEVSTJZSA-N 2 0 339.487 3.232 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCSCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000600778204 460599899 /nfs/dbraw/zinc/59/98/99/460599899.db2.gz WRLBVNRJGXODSE-GJZGRUSLSA-N 2 0 332.435 3.379 20 0 EGADRP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000181744883 455378411 /nfs/dbraw/zinc/37/84/11/455378411.db2.gz BAVXAPHSVQFMPB-HKUYNNGSSA-N 2 0 331.504 3.036 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000068118748 453999076 /nfs/dbraw/zinc/99/90/76/453999076.db2.gz JBWALWPAGABSLB-ROUUACIJSA-N 2 0 343.515 3.133 20 0 EGADRP CN(C)c1c(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc(F)c1F ZINC000623575338 460621608 /nfs/dbraw/zinc/62/16/08/460621608.db2.gz WGHBYFFQIPAXHF-HNNXBMFYSA-N 2 0 337.458 3.242 20 0 EGADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523261 454064316 /nfs/dbraw/zinc/06/43/16/454064316.db2.gz VZWXVPGSVQGCKR-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056524834 454064888 /nfs/dbraw/zinc/06/48/88/454064888.db2.gz BHIKTRZZKFETRY-NRFANRHFSA-N 2 0 345.531 3.164 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000044277027 454094379 /nfs/dbraw/zinc/09/43/79/454094379.db2.gz YZCCHAFGZWCPHD-QGZVFWFLSA-N 2 0 346.500 3.234 20 0 EGADRP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888641 454155463 /nfs/dbraw/zinc/15/54/63/454155463.db2.gz LYWBJUYDNTZMBG-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000093982125 454182356 /nfs/dbraw/zinc/18/23/56/454182356.db2.gz XSFPMPVTDSCARN-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000130526985 454203028 /nfs/dbraw/zinc/20/30/28/454203028.db2.gz JFZVZGFECZYVRV-XLIONFOSSA-N 2 0 345.531 3.121 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000131086397 454234147 /nfs/dbraw/zinc/23/41/47/454234147.db2.gz CRQHYIYOCPGFDG-SESVDKBCSA-N 2 0 329.532 3.389 20 0 EGADRP C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038810 454265964 /nfs/dbraw/zinc/26/59/64/454265964.db2.gz USRNBRHSWBIAQZ-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000131588392 454267437 /nfs/dbraw/zinc/26/74/37/454267437.db2.gz HYARICRSHXPYMU-FGTMMUONSA-N 2 0 345.531 3.358 20 0 EGADRP c1ccc2sc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nc2c1 ZINC000060242028 454274341 /nfs/dbraw/zinc/27/43/41/454274341.db2.gz FSGDBEBTHSEXFK-UHFFFAOYSA-N 2 0 345.512 3.231 20 0 EGADRP Clc1ccc(O[C@H]2CC[N@H+](CCn3ccnc3)C2)cc1Cl ZINC000131716556 454278298 /nfs/dbraw/zinc/27/82/98/454278298.db2.gz MNOUEIPGGURJEF-ZDUSSCGKSA-N 2 0 326.227 3.343 20 0 EGADRP c1ccc(CCOCCC[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000131740307 454281139 /nfs/dbraw/zinc/28/11/39/454281139.db2.gz BNZXABRSHRKPCX-FQEVSTJZSA-N 2 0 326.440 3.184 20 0 EGADRP Cc1cnccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000120302762 454283998 /nfs/dbraw/zinc/28/39/98/454283998.db2.gz UXFGZWLPUHGSTF-MRXNPFEDSA-N 2 0 328.416 3.332 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132119762 454315044 /nfs/dbraw/zinc/31/50/44/454315044.db2.gz HKUIMIKBIJFODI-RXVVDRJESA-N 2 0 338.499 3.384 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n(-c2ccccc2)n1 ZINC000090601402 454326137 /nfs/dbraw/zinc/32/61/37/454326137.db2.gz XOXIVCYCTIXIQL-XKGZKEIXSA-N 2 0 338.499 3.328 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132306076 454328216 /nfs/dbraw/zinc/32/82/16/454328216.db2.gz OHTVPQSLXQKBQG-FXAWDEMLSA-N 2 0 333.520 3.008 20 0 EGADRP CCC(CC)[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC000132322172 454329665 /nfs/dbraw/zinc/32/96/65/454329665.db2.gz GTPHAABTHHLZOP-QGZVFWFLSA-N 2 0 331.495 3.206 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@H](C)C1 ZINC000120672582 454332457 /nfs/dbraw/zinc/33/24/57/454332457.db2.gz HWMVMJJKUKOYOI-IEBWSBKVSA-N 2 0 332.488 3.220 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000090919887 454351819 /nfs/dbraw/zinc/35/18/19/454351819.db2.gz ZJJZPZNUOPOFNK-IBGZPJMESA-N 2 0 330.447 3.235 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120863087 454357892 /nfs/dbraw/zinc/35/78/92/454357892.db2.gz LWBCHMPRACHDIK-DOTOQJQBSA-N 2 0 329.488 3.275 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120944501 454367575 /nfs/dbraw/zinc/36/75/75/454367575.db2.gz LTYCSDLCWRQXFQ-RTBURBONSA-N 2 0 347.547 3.256 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000121004846 454375998 /nfs/dbraw/zinc/37/59/98/454375998.db2.gz KPGFQPPSZDMZKC-LZQZEXGQSA-N 2 0 325.456 3.282 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cn2)CC1 ZINC000091282929 454421874 /nfs/dbraw/zinc/42/18/74/454421874.db2.gz LQCORGFEIBDPRR-OAQYLSRUSA-N 2 0 336.483 3.074 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000047973569 454425877 /nfs/dbraw/zinc/42/58/77/454425877.db2.gz NUWNHGDNDSCILV-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000047973575 454425894 /nfs/dbraw/zinc/42/58/94/454425894.db2.gz NUWNHGDNDSCILV-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000063810151 454450408 /nfs/dbraw/zinc/45/04/08/454450408.db2.gz JBWALWPAGABSLB-ZWKOTPCHSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000101516594 454471205 /nfs/dbraw/zinc/47/12/05/454471205.db2.gz LNKACQMDEVNEAC-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000079843673 454488707 /nfs/dbraw/zinc/48/87/07/454488707.db2.gz QZCHFMKZNCRCBR-GOSISDBHSA-N 2 0 343.515 3.021 20 0 EGADRP Cn1cc(CCC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000103142951 454540097 /nfs/dbraw/zinc/54/00/97/454540097.db2.gz ADZIJZZJJHPQCV-UHFFFAOYSA-N 2 0 340.515 3.197 20 0 EGADRP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253682 454542449 /nfs/dbraw/zinc/54/24/49/454542449.db2.gz MYTUNUUYVTZBHQ-ICSRJNTNSA-N 2 0 332.488 3.018 20 0 EGADRP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246247540 455457149 /nfs/dbraw/zinc/45/71/49/455457149.db2.gz NNZZVLPWULTDSF-SJORKVTESA-N 2 0 331.504 3.065 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191171484 455457225 /nfs/dbraw/zinc/45/72/25/455457225.db2.gz ZSYBSLYQXLENHY-QGZVFWFLSA-N 2 0 349.567 3.015 20 0 EGADRP CC(C)N(C)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000104359669 454582211 /nfs/dbraw/zinc/58/22/11/454582211.db2.gz VECYHZWBFXRMJU-MRXNPFEDSA-N 2 0 325.294 3.236 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000092587523 454591332 /nfs/dbraw/zinc/59/13/32/454591332.db2.gz XBKHQLLFDGPCCG-GASCZTMLSA-N 2 0 349.544 3.342 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C[C@@H](C)O1 ZINC000092587570 454591351 /nfs/dbraw/zinc/59/13/51/454591351.db2.gz BSBAFWSBQMGLKW-IAGOWNOFSA-N 2 0 341.499 3.489 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C[C@H](C)O1 ZINC000092587569 454591539 /nfs/dbraw/zinc/59/15/39/454591539.db2.gz BSBAFWSBQMGLKW-IRXDYDNUSA-N 2 0 341.499 3.489 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000080645811 454611464 /nfs/dbraw/zinc/61/14/64/454611464.db2.gz HADUTKALRNEFHL-UHFFFAOYSA-N 2 0 338.467 3.027 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000092746325 454623542 /nfs/dbraw/zinc/62/35/42/454623542.db2.gz CSWITFUJXQXBLL-GOEBONIOSA-N 2 0 339.549 3.411 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000092750099 454625227 /nfs/dbraw/zinc/62/52/27/454625227.db2.gz HOHFBOWYPNLLGI-OXJNMPFZSA-N 2 0 347.547 3.382 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123548562 454651076 /nfs/dbraw/zinc/65/10/76/454651076.db2.gz GSQDAGHYJICEPM-UHFFFAOYSA-N 2 0 331.504 3.093 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000052209106 454661025 /nfs/dbraw/zinc/66/10/25/454661025.db2.gz AWLKVBGFAAUYIX-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000635004952 460648049 /nfs/dbraw/zinc/64/80/49/460648049.db2.gz RMYVOTPTWMDNAE-BBRMVZONSA-N 2 0 331.426 3.415 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](COC)Cc2ccccc2)c1 ZINC000123945742 454688814 /nfs/dbraw/zinc/68/88/14/454688814.db2.gz TXXWOAUKIAAXHU-OAQYLSRUSA-N 2 0 326.484 3.486 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000123973790 454691118 /nfs/dbraw/zinc/69/11/18/454691118.db2.gz FYKCRPNICPFZDP-AWEZNQCLSA-N 2 0 338.565 3.037 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000635004631 460648665 /nfs/dbraw/zinc/64/86/65/460648665.db2.gz JJDSFQUCMCNZFW-OSYHSXPHSA-N 3 0 327.516 3.289 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000106544744 454700519 /nfs/dbraw/zinc/70/05/19/454700519.db2.gz PTLAIELWVFLSBA-YYIAUSFCSA-N 2 0 347.507 3.013 20 0 EGADRP COC[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093337820 454703772 /nfs/dbraw/zinc/70/37/72/454703772.db2.gz URUAJTGEBZUNIP-SFHVURJKSA-N 2 0 345.531 3.075 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000152652953 454705951 /nfs/dbraw/zinc/70/59/51/454705951.db2.gz YPIIFEDDYLVAOZ-KRWDZBQOSA-N 2 0 343.298 3.275 20 0 EGADRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000635005787 460649438 /nfs/dbraw/zinc/64/94/38/460649438.db2.gz PICGOROWWNQUHZ-KBRIMQKVSA-N 2 0 332.879 3.270 20 0 EGADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(C)ccc1OC ZINC000093373040 454709854 /nfs/dbraw/zinc/70/98/54/454709854.db2.gz CIOBQHLKOJVWCH-IBGZPJMESA-N 2 0 333.520 3.070 20 0 EGADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000124634962 454755315 /nfs/dbraw/zinc/75/53/15/454755315.db2.gz DJPDKVUHEZDTQQ-ZWOKBUDYSA-N 2 0 334.504 3.056 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1CCOCC1 ZINC000124654312 454756926 /nfs/dbraw/zinc/75/69/26/454756926.db2.gz WPQQKGOQQCUPJA-KURKYZTESA-N 2 0 346.515 3.201 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124687754 454760586 /nfs/dbraw/zinc/76/05/86/454760586.db2.gz DSUNOAMJWIFKFP-MYTGEXCLSA-N 2 0 329.532 3.215 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000162496399 454779384 /nfs/dbraw/zinc/77/93/84/454779384.db2.gz RMWFQBHDPNXCRJ-KRWDZBQOSA-N 2 0 339.911 3.027 20 0 EGADRP c1cncc([C@H]2CCC[C@H](Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)C2)c1 ZINC000635011612 460654265 /nfs/dbraw/zinc/65/42/65/460654265.db2.gz OBNHKMBRJZRCQO-WMZOPIPTSA-N 2 0 337.471 3.025 20 0 EGADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010459 460654537 /nfs/dbraw/zinc/65/45/37/460654537.db2.gz LTRIWLLVJCWHSX-GOSISDBHSA-N 2 0 326.415 3.257 20 0 EGADRP CN(C[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000153393268 454788960 /nfs/dbraw/zinc/78/89/60/454788960.db2.gz XVDQHIDRLUYFJY-KRWDZBQOSA-N 2 0 339.524 3.051 20 0 EGADRP CCc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000125057066 454794274 /nfs/dbraw/zinc/79/42/74/454794274.db2.gz BRDHNXWFHVXGDB-KRWDZBQOSA-N 2 0 339.483 3.346 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000110821659 454853891 /nfs/dbraw/zinc/85/38/91/454853891.db2.gz ZHTYWTJDUVSKFH-GUYCJALGSA-N 2 0 349.316 3.380 20 0 EGADRP C[C@@H](CC1CC1)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163964363 454870050 /nfs/dbraw/zinc/87/00/50/454870050.db2.gz HRCUXHONEMJLHW-KRWDZBQOSA-N 2 0 346.515 3.454 20 0 EGADRP CC(C)OCCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177510384 454872100 /nfs/dbraw/zinc/87/21/00/454872100.db2.gz MKYDOZMBSXYSSB-QZTJIDSGSA-N 2 0 326.525 3.013 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000154242176 454877567 /nfs/dbraw/zinc/87/75/67/454877567.db2.gz XHWDYHXEKUCLPU-OAHLLOKOSA-N 2 0 338.565 3.253 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000164744500 454888726 /nfs/dbraw/zinc/88/87/26/454888726.db2.gz QNMJFZCVBPXKBM-UXHICEINSA-N 2 0 345.531 3.442 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154363607 454889145 /nfs/dbraw/zinc/88/91/45/454889145.db2.gz SMVDJCXYNDVQJX-KRWDZBQOSA-N 2 0 329.488 3.419 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)N1CC[NH+](C)CC1 ZINC000126543361 454901448 /nfs/dbraw/zinc/90/14/48/454901448.db2.gz IGAVANFTAHAUQT-MAUKXSAKSA-N 2 0 346.544 3.219 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000154530110 454905030 /nfs/dbraw/zinc/90/50/30/454905030.db2.gz BICAULUQGTUNFZ-NRFANRHFSA-N 2 0 345.531 3.080 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000166740640 454915849 /nfs/dbraw/zinc/91/58/49/454915849.db2.gz SINLEMPKWMBUCH-BEFAXECRSA-N 2 0 325.456 3.065 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126777705 454918107 /nfs/dbraw/zinc/91/81/07/454918107.db2.gz SNYPQTHWWZTZSU-HZPDHXFCSA-N 2 0 349.494 3.043 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000167387662 454920017 /nfs/dbraw/zinc/92/00/17/454920017.db2.gz IBMASWFSBSPHSV-HSALFYBXSA-N 2 0 349.563 3.399 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000150984218 454921526 /nfs/dbraw/zinc/92/15/26/454921526.db2.gz UVPHLGYTFHLJOO-CQSZACIVSA-N 2 0 343.437 3.382 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000178004098 454926583 /nfs/dbraw/zinc/92/65/83/454926583.db2.gz WSTACMOQWCLLJX-SFHVURJKSA-N 2 0 333.520 3.154 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000155017886 454953669 /nfs/dbraw/zinc/95/36/69/454953669.db2.gz OQKDGYFNNYFLDV-DNVCBOLYSA-N 2 0 335.923 3.333 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178424896 454954134 /nfs/dbraw/zinc/95/41/34/454954134.db2.gz PXNMDYSBGQCMFU-DVOMOZLQSA-N 2 0 325.294 3.310 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127574086 454978384 /nfs/dbraw/zinc/97/83/84/454978384.db2.gz ZSIJFGIFMXUTIU-HNAYVOBHSA-N 2 0 335.923 3.333 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000155673652 455030021 /nfs/dbraw/zinc/03/00/21/455030021.db2.gz WIEIZPIQIVOPBK-LPHOPBHVSA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000155720215 455035783 /nfs/dbraw/zinc/03/57/83/455035783.db2.gz IQNZADDPMVMVTI-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(Cl)s1 ZINC000155727285 455036837 /nfs/dbraw/zinc/03/68/37/455036837.db2.gz XHNLOXGJYOXNJI-KGLIPLIRSA-N 2 0 329.941 3.468 20 0 EGADRP CCOCc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1OC ZINC000179550789 455057284 /nfs/dbraw/zinc/05/72/84/455057284.db2.gz QASITSINQYKFNZ-UHFFFAOYSA-N 2 0 334.504 3.395 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156067963 455078070 /nfs/dbraw/zinc/07/80/70/455078070.db2.gz ZQBHAXGZQUDLRW-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152390377 455111764 /nfs/dbraw/zinc/11/17/64/455111764.db2.gz FHQNWQUPGSFQOR-HUUCEWRRSA-N 2 0 342.487 3.105 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@H]2CCO[C@@H]21 ZINC000180167196 455143504 /nfs/dbraw/zinc/14/35/04/455143504.db2.gz LGWGMPBKMLWYLR-ONCDUWEWSA-N 2 0 340.511 3.300 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3CC[C@H]([NH2+][C@@H]4CCC[C@H]5OCC[C@@H]54)[C@@H]3C2)cc1 ZINC000180170823 455144204 /nfs/dbraw/zinc/14/42/04/455144204.db2.gz ICQYBUFWEZXHNB-PYXMZCFHSA-N 2 0 340.511 3.444 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237508112 455190581 /nfs/dbraw/zinc/19/05/81/455190581.db2.gz PBIOFDMTLNCJEG-WSTZPKSXSA-N 2 0 345.531 3.341 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158688216 455322615 /nfs/dbraw/zinc/32/26/15/455322615.db2.gz VBMUHAPVMUYNML-BZSNNMDCSA-N 2 0 341.503 3.286 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCC2 ZINC000181627342 455364832 /nfs/dbraw/zinc/36/48/32/455364832.db2.gz SGTGWMGUXGPDMS-MOPGFXCFSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181687352 455372174 /nfs/dbraw/zinc/37/21/74/455372174.db2.gz FMENDGNLYWUOOC-KZNAEPCWSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)[NH+]1CCCCC1 ZINC000184512148 455393682 /nfs/dbraw/zinc/39/36/82/455393682.db2.gz CKJSHKPBHCUNBM-SJORKVTESA-N 2 0 327.476 3.182 20 0 EGADRP C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H](O)Cc1ccccc1 ZINC000246335381 455473473 /nfs/dbraw/zinc/47/34/73/455473473.db2.gz GLWISBGDMKYHLL-RPHTVSPISA-N 2 0 338.495 3.089 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000182257053 455473443 /nfs/dbraw/zinc/47/34/43/455473443.db2.gz VQYBYGLOHBPJQD-FCHUYYIVSA-N 2 0 336.479 3.494 20 0 EGADRP C[C@H](C(=O)NCC1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247026989 455546845 /nfs/dbraw/zinc/54/68/45/455546845.db2.gz YDIPTMCRSMYJIF-IMFGXOCKSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000247119862 455561577 /nfs/dbraw/zinc/56/15/77/455561577.db2.gz RAVWHMPNAXHMPI-HZPDHXFCSA-N 2 0 344.503 3.353 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247207837 455573074 /nfs/dbraw/zinc/57/30/74/455573074.db2.gz WUJFNBHVTFPXEF-SLHNCBLASA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000247270359 455581243 /nfs/dbraw/zinc/58/12/43/455581243.db2.gz FLXIDMCLPWUUJO-YLJYHZDGSA-N 2 0 345.531 3.329 20 0 EGADRP CC(C)N(C(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185690943 455598600 /nfs/dbraw/zinc/59/86/00/455598600.db2.gz OINDJCVBPSBNEQ-FGTMMUONSA-N 2 0 337.552 3.263 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708436 455602266 /nfs/dbraw/zinc/60/22/66/455602266.db2.gz CFJCKUNZRCHDPD-GLJUWKHASA-N 2 0 338.442 3.241 20 0 EGADRP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185756245 455615750 /nfs/dbraw/zinc/61/57/50/455615750.db2.gz PDWMBCIASWDMFG-MAUKXSAKSA-N 2 0 330.472 3.216 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)c1ccsc1 ZINC000192518124 455635233 /nfs/dbraw/zinc/63/52/33/455635233.db2.gz RZQOJIOZKGIMKE-IEBWSBKVSA-N 2 0 345.512 3.121 20 0 EGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000284115575 455637969 /nfs/dbraw/zinc/63/79/69/455637969.db2.gz NMDHNBAZVDNZKK-KRWDZBQOSA-N 2 0 342.487 3.132 20 0 EGADRP CN(c1ccccc1C[NH2+]CC1(O)CCCCC1)C1CC[NH+](C)CC1 ZINC000268310282 455647471 /nfs/dbraw/zinc/64/74/71/455647471.db2.gz BGTPGYFAJUPUAD-UHFFFAOYSA-N 2 0 345.531 3.002 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000284224862 455653962 /nfs/dbraw/zinc/65/39/62/455653962.db2.gz DMYZCSLVVDLIDD-UHFFFAOYSA-N 2 0 348.450 3.071 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192747636 455685218 /nfs/dbraw/zinc/68/52/18/455685218.db2.gz SNNKKKFWHWNIPL-UHFFFAOYSA-N 2 0 341.499 3.404 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc2c(c1)CCO2 ZINC000271578255 455690055 /nfs/dbraw/zinc/69/00/55/455690055.db2.gz ZUXYYVYVANQCBE-XUVXKRRUSA-N 2 0 344.499 3.040 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000192800283 455696027 /nfs/dbraw/zinc/69/60/27/455696027.db2.gz IZSISHKVMBJYJN-UHFFFAOYSA-N 2 0 341.499 3.138 20 0 EGADRP COc1ccsc1[C@@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000186115382 455697069 /nfs/dbraw/zinc/69/70/69/455697069.db2.gz SCMJBLDMNNQSJY-CQSZACIVSA-N 2 0 331.485 3.467 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000186154709 455704944 /nfs/dbraw/zinc/70/49/44/455704944.db2.gz CYNAAPWXGKFSDE-HXUWFJFHSA-N 2 0 329.532 3.298 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284550656 455704920 /nfs/dbraw/zinc/70/49/20/455704920.db2.gz XWIVRRYZSPXHKR-QFIPXVFZSA-N 2 0 343.559 3.323 20 0 EGADRP CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268883277 455717527 /nfs/dbraw/zinc/71/75/27/455717527.db2.gz BEYNGPXLVMJTKI-QZTJIDSGSA-N 2 0 336.520 3.322 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(N2CCOCC2)c1 ZINC000268898350 455723613 /nfs/dbraw/zinc/72/36/13/455723613.db2.gz WCPYVRVFDGGTJG-QGZVFWFLSA-N 2 0 343.515 3.048 20 0 EGADRP COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000186283538 455733801 /nfs/dbraw/zinc/73/38/01/455733801.db2.gz VDXWFRSXFWLYPD-YOEHRIQHSA-N 2 0 346.496 3.174 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000193028228 455735868 /nfs/dbraw/zinc/73/58/68/455735868.db2.gz RKENWJBASJOQPS-HBMCJLEFSA-N 2 0 343.515 3.291 20 0 EGADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OC)cc1 ZINC000268938961 455736473 /nfs/dbraw/zinc/73/64/73/455736473.db2.gz SGXNATZVKRGTAT-AZUAARDMSA-N 2 0 334.504 3.363 20 0 EGADRP CC(C)c1nc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000186331803 455744730 /nfs/dbraw/zinc/74/47/30/455744730.db2.gz REWSYSOGFKSUTK-LSDHHAIUSA-N 2 0 325.522 3.154 20 0 EGADRP CCC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CCOCC1 ZINC000268989157 455755190 /nfs/dbraw/zinc/75/51/90/455755190.db2.gz QVNAQFYSZNTLEN-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP CCC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCOCC1 ZINC000268989156 455755662 /nfs/dbraw/zinc/75/56/62/455755662.db2.gz QVNAQFYSZNTLEN-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000278168071 455775662 /nfs/dbraw/zinc/77/56/62/455775662.db2.gz AXCIWOOIMSLDJE-HNNXBMFYSA-N 2 0 343.471 3.168 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)N2CCCc3ccccc32)CC1 ZINC000285118523 455791800 /nfs/dbraw/zinc/79/18/00/455791800.db2.gz RQYAYNFTSBQBNU-UHFFFAOYSA-N 2 0 343.515 3.161 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000186569979 455795948 /nfs/dbraw/zinc/79/59/48/455795948.db2.gz JCZACRRRKUKTLH-MOPGFXCFSA-N 2 0 331.548 3.358 20 0 EGADRP CC(C)[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)N1CC[NH+](C)CC1 ZINC000186586420 455800251 /nfs/dbraw/zinc/80/02/51/455800251.db2.gz ODJKRZKAMLZJSV-JCYILVPMSA-N 2 0 349.485 3.217 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186604752 455804665 /nfs/dbraw/zinc/80/46/65/455804665.db2.gz RZNQJBALNMCZLI-ZWKOTPCHSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)C[C@@H](C)O1 ZINC000194193526 455813803 /nfs/dbraw/zinc/81/38/03/455813803.db2.gz DYSRMNBPRSBIPM-HLIPFELVSA-N 2 0 330.472 3.078 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000187004071 455861462 /nfs/dbraw/zinc/86/14/62/455861462.db2.gz UFJXSAPZZFWESZ-NQIIRXRSSA-N 2 0 329.532 3.452 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000187004036 455861519 /nfs/dbraw/zinc/86/15/19/455861519.db2.gz UFJXSAPZZFWESZ-WIYYLYMNSA-N 2 0 329.532 3.452 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617001264 460698096 /nfs/dbraw/zinc/69/80/96/460698096.db2.gz LIGYQYGCKCUMKM-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)CN1Cc1ccccc1 ZINC000187392650 455904344 /nfs/dbraw/zinc/90/43/44/455904344.db2.gz POGDMOIKMWBRJD-IEBWSBKVSA-N 2 0 348.494 3.368 20 0 EGADRP C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261619931 455915124 /nfs/dbraw/zinc/91/51/24/455915124.db2.gz GGYRMEHXHFRZJP-JSGCOSHPSA-N 2 0 328.287 3.034 20 0 EGADRP CSc1cc(Br)ccc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261639272 455918111 /nfs/dbraw/zinc/91/81/11/455918111.db2.gz GDQSRAIPTDHTDM-CQSZACIVSA-N 2 0 329.307 3.342 20 0 EGADRP C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385155 455933786 /nfs/dbraw/zinc/93/37/86/455933786.db2.gz WYYJGJMCYBIQGY-NQIIRXRSSA-N 2 0 341.543 3.361 20 0 EGADRP CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261731076 455936647 /nfs/dbraw/zinc/93/66/47/455936647.db2.gz KWHMWFUMVMEUOK-IJXRJRJASA-N 2 0 343.515 3.188 20 0 EGADRP COc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000261739580 455938266 /nfs/dbraw/zinc/93/82/66/455938266.db2.gz SROPNSKSILVULZ-AWEZNQCLSA-N 2 0 340.414 3.261 20 0 EGADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000261807880 455952363 /nfs/dbraw/zinc/95/23/63/455952363.db2.gz OOJZHYSSJHVLRR-MRXNPFEDSA-N 2 0 338.377 3.062 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000195377922 455952927 /nfs/dbraw/zinc/95/29/27/455952927.db2.gz XPYYWSRHCOCEPZ-UHFFFAOYSA-N 2 0 341.499 3.138 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000261821832 455953755 /nfs/dbraw/zinc/95/37/55/455953755.db2.gz IGOFVPHJSPIQGC-QGZVFWFLSA-N 2 0 329.488 3.247 20 0 EGADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261956951 455977265 /nfs/dbraw/zinc/97/72/65/455977265.db2.gz PAIHIZVQFFEJJV-JKJDWNRSSA-N 2 0 334.426 3.102 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000261983594 455980942 /nfs/dbraw/zinc/98/09/42/455980942.db2.gz JAFVAVBNIDFHQO-INIZCTEOSA-N 2 0 339.483 3.488 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000272550128 455990427 /nfs/dbraw/zinc/99/04/27/455990427.db2.gz LXDBBTHXCPUUGU-UHFFFAOYSA-N 2 0 341.499 3.141 20 0 EGADRP CC[C@H](C)NC(=O)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286165588 455991790 /nfs/dbraw/zinc/99/17/90/455991790.db2.gz QBVHUASLLKZPNI-KKXNLOMOSA-N 2 0 345.531 3.324 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552992 455991811 /nfs/dbraw/zinc/99/18/11/455991811.db2.gz SUTYRUGQTMHDEG-DBXWQHBBSA-N 2 0 340.515 3.328 20 0 EGADRP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262150121 456004563 /nfs/dbraw/zinc/00/45/63/456004563.db2.gz RCGKTJCTSCJSQQ-JOCHJYFZSA-N 2 0 335.495 3.142 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272628978 456018360 /nfs/dbraw/zinc/01/83/60/456018360.db2.gz ZXMSAJFONXKZBN-QGZVFWFLSA-N 2 0 334.504 3.346 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000286299357 456019404 /nfs/dbraw/zinc/01/94/04/456019404.db2.gz WOZLGXGQHYGNLS-TUFLPTIASA-N 2 0 328.500 3.303 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c2cccs2)CC1 ZINC000262313119 456023847 /nfs/dbraw/zinc/02/38/47/456023847.db2.gz BRGBTJHGIAOZDH-ULQDDVLXSA-N 2 0 349.544 3.025 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000270842233 456051705 /nfs/dbraw/zinc/05/17/05/456051705.db2.gz VTUIYPCHGYGMOJ-SQBLYHGDSA-N 2 0 328.500 3.231 20 0 EGADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272730669 456054721 /nfs/dbraw/zinc/05/47/21/456054721.db2.gz IJVZIFXBNRRKHN-FXAWDEMLSA-N 2 0 339.483 3.198 20 0 EGADRP C[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000262918210 456068972 /nfs/dbraw/zinc/06/89/72/456068972.db2.gz DPJHWRFZJKSMMB-GFCCVEGCSA-N 2 0 343.393 3.367 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000263012243 456077966 /nfs/dbraw/zinc/07/79/66/456077966.db2.gz PXQZDUBWLLXYAV-ICSRJNTNSA-N 2 0 329.488 3.171 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263177695 456105685 /nfs/dbraw/zinc/10/56/85/456105685.db2.gz GIRJUPHXWSFRPN-QUCCMNQESA-N 2 0 331.504 3.052 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)CC3 ZINC000272934648 456116318 /nfs/dbraw/zinc/11/63/18/456116318.db2.gz OJQXVBMWSKXHOW-OAHLLOKOSA-N 2 0 341.499 3.355 20 0 EGADRP COCCOCc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000289829455 456148632 /nfs/dbraw/zinc/14/86/32/456148632.db2.gz TXVPQMPEYMHWGK-UHFFFAOYSA-N 2 0 348.531 3.451 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000271208147 456173199 /nfs/dbraw/zinc/17/31/99/456173199.db2.gz GVXSRDQZHDUMAD-SFHVURJKSA-N 2 0 339.487 3.135 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000236727497 456176593 /nfs/dbraw/zinc/17/65/93/456176593.db2.gz SGNOCJIFEIXGCX-NRFANRHFSA-N 2 0 345.531 3.315 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000236876164 456195513 /nfs/dbraw/zinc/19/55/13/456195513.db2.gz AETMOGOHFKKNTA-HXUWFJFHSA-N 2 0 339.483 3.235 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000297414562 456214942 /nfs/dbraw/zinc/21/49/42/456214942.db2.gz DETWYBRRQLXWEP-INIZCTEOSA-N 2 0 344.459 3.214 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000297581760 456256971 /nfs/dbraw/zinc/25/69/71/456256971.db2.gz ILQCEHHUXQCUIG-OAQYLSRUSA-N 2 0 327.516 3.113 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C/C=C/C[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000189229981 456259980 /nfs/dbraw/zinc/25/99/80/456259980.db2.gz FLPPOOGRAYGVRU-WTBPUQPLSA-N 2 0 338.536 3.414 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333787172 456263117 /nfs/dbraw/zinc/26/31/17/456263117.db2.gz FOACYHHOBDXKIJ-WDEJKIRISA-N 2 0 331.548 3.040 20 0 EGADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000340200306 456308990 /nfs/dbraw/zinc/30/89/90/456308990.db2.gz VCNDKHIDIFQULK-ZACQAIPSSA-N 2 0 334.504 3.199 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340200496 456310582 /nfs/dbraw/zinc/31/05/82/456310582.db2.gz WAPBQPDTDOFFFM-IKVWTGGYSA-N 2 0 346.515 3.343 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC(C)C ZINC000290434544 456327750 /nfs/dbraw/zinc/32/77/50/456327750.db2.gz LMRABXKUVYWESS-QZTJIDSGSA-N 2 0 332.488 3.399 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1C ZINC000302482780 456347909 /nfs/dbraw/zinc/34/79/09/456347909.db2.gz HBJWLAOAEVBRMO-CQSZACIVSA-N 2 0 327.472 3.133 20 0 EGADRP CC1CC[NH+](CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000352834881 456350379 /nfs/dbraw/zinc/35/03/79/456350379.db2.gz XPQDICOVZWXSPA-JOCHJYFZSA-N 2 0 341.543 3.316 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290534371 456356647 /nfs/dbraw/zinc/35/66/47/456356647.db2.gz VMECDDYYLYAMEQ-MRXNPFEDSA-N 2 0 341.503 3.434 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000276087720 456386158 /nfs/dbraw/zinc/38/61/58/456386158.db2.gz JNJXYEAFSJRMKU-UHFFFAOYSA-N 2 0 348.535 3.010 20 0 EGADRP CCCOc1ncccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298244101 456402114 /nfs/dbraw/zinc/40/21/14/456402114.db2.gz CQVLUMQWUSSUDW-UHFFFAOYSA-N 2 0 326.444 3.024 20 0 EGADRP CSC1(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000347867828 456415397 /nfs/dbraw/zinc/41/53/97/456415397.db2.gz CSBXENCNJMLKKV-UHFFFAOYSA-N 2 0 347.572 3.070 20 0 EGADRP COc1cccc([C@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)c1 ZINC000298542049 456485207 /nfs/dbraw/zinc/48/52/07/456485207.db2.gz TTZSPPHBRPHSOH-NRFANRHFSA-N 2 0 343.515 3.049 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000282191625 456438743 /nfs/dbraw/zinc/43/87/43/456438743.db2.gz NIZTUVQZVYGVKP-JRGCBEDISA-N 2 0 346.515 3.202 20 0 EGADRP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000348034139 456439856 /nfs/dbraw/zinc/43/98/56/456439856.db2.gz BFPMGXYXDOWGPA-LJQANCHMSA-N 2 0 331.504 3.412 20 0 EGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCCCC2=O)cc1 ZINC000348033296 456440271 /nfs/dbraw/zinc/44/02/71/456440271.db2.gz YOGJAPSUDJLDCT-MRXNPFEDSA-N 2 0 340.471 3.234 20 0 EGADRP Fc1ccc(OCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298610772 456501423 /nfs/dbraw/zinc/50/14/23/456501423.db2.gz ZXQWOASHGPQBRE-UHFFFAOYSA-N 2 0 329.419 3.248 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC[N@@H+]1C ZINC000340517243 456503849 /nfs/dbraw/zinc/50/38/49/456503849.db2.gz ZSBBGOPDQOAQQN-GOEBONIOSA-N 2 0 334.533 3.126 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(-c2cnn(C)c2)s1)C[NH+]1CCCCC1 ZINC000337785372 456544446 /nfs/dbraw/zinc/54/44/46/456544446.db2.gz BACJGKGZZCCAJY-HNNXBMFYSA-N 2 0 332.517 3.360 20 0 EGADRP C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310474111 456584216 /nfs/dbraw/zinc/58/42/16/456584216.db2.gz CEPJDEVYIBUTHU-WBVHZDCISA-N 2 0 344.421 3.456 20 0 EGADRP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310978902 456585472 /nfs/dbraw/zinc/58/54/72/456585472.db2.gz DQIRBTAIBUCJRL-MOPGFXCFSA-N 2 0 344.499 3.172 20 0 EGADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000316768121 456614794 /nfs/dbraw/zinc/61/47/94/456614794.db2.gz DMOSZRNEJHEROQ-RISCZKNCSA-N 2 0 344.286 3.381 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000343443817 456624021 /nfs/dbraw/zinc/62/40/21/456624021.db2.gz OKYJLKOCFIQGLH-MOPGFXCFSA-N 2 0 345.531 3.241 20 0 EGADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC4CCOCC4)C3)C2)cc1 ZINC000340692034 456629745 /nfs/dbraw/zinc/62/97/45/456629745.db2.gz RIMWFPCEJYXLJT-NRFANRHFSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(-n2ccnn2)c1 ZINC000348395953 456664428 /nfs/dbraw/zinc/66/44/28/456664428.db2.gz LTNPKAMOFYAABE-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP COCCN(C)CC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000324736943 456671752 /nfs/dbraw/zinc/67/17/52/456671752.db2.gz LPYBMAYGTSCNNQ-SFHVURJKSA-N 2 0 326.484 3.375 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000338163884 456678222 /nfs/dbraw/zinc/67/82/22/456678222.db2.gz VWAZZDFHSCFLKQ-ROUUACIJSA-N 2 0 345.531 3.379 20 0 EGADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000325868423 456688598 /nfs/dbraw/zinc/68/85/98/456688598.db2.gz KLKYGHBRLPJISO-SLFFLAALSA-N 2 0 327.516 3.340 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000327512214 456707444 /nfs/dbraw/zinc/70/74/44/456707444.db2.gz BYQUNTBVVDALLA-FQEVSTJZSA-N 2 0 345.531 3.300 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000343586095 456725472 /nfs/dbraw/zinc/72/54/72/456725472.db2.gz PEGYZSZJJHCMOF-ROUUACIJSA-N 2 0 345.531 3.121 20 0 EGADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000353534052 456740609 /nfs/dbraw/zinc/74/06/09/456740609.db2.gz SGEYWMIFMNRFIA-OAHLLOKOSA-N 2 0 346.393 3.083 20 0 EGADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000277304051 456769548 /nfs/dbraw/zinc/76/95/48/456769548.db2.gz PHTXEBSWHSPETH-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)nc2)nc(C(C)C)n1 ZINC000301102193 456796029 /nfs/dbraw/zinc/79/60/29/456796029.db2.gz OMGCDQVTECPPLV-HNNXBMFYSA-N 2 0 341.459 3.141 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000344109574 456797664 /nfs/dbraw/zinc/79/76/64/456797664.db2.gz DWZWCMAFKLMMAT-YWZLYKJASA-N 2 0 332.463 3.294 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000348665366 456807116 /nfs/dbraw/zinc/80/71/16/456807116.db2.gz ZINSUZXDRWUVFQ-FXAWDEMLSA-N 2 0 345.531 3.121 20 0 EGADRP COC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000353665431 456842248 /nfs/dbraw/zinc/84/22/48/456842248.db2.gz ZDXWLYMLXGBDDP-MRXNPFEDSA-N 2 0 344.471 3.069 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000353671835 456845597 /nfs/dbraw/zinc/84/55/97/456845597.db2.gz OQEPURJUHKHACY-GPJFCIFZSA-N 2 0 338.499 3.231 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccc1-n1ccnn1 ZINC000353683462 456853655 /nfs/dbraw/zinc/85/36/55/456853655.db2.gz QFOZPBCMGGHYST-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353730134 456875610 /nfs/dbraw/zinc/87/56/10/456875610.db2.gz QBSZRFREICYVNL-IBGZPJMESA-N 2 0 343.515 3.019 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)CC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000292176124 456877474 /nfs/dbraw/zinc/87/74/74/456877474.db2.gz WKFSZXLPRPEKAL-HXUWFJFHSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000349290416 456932251 /nfs/dbraw/zinc/93/22/51/456932251.db2.gz XJZFLVWMSBPHOQ-CQSZACIVSA-N 2 0 339.886 3.079 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349333057 456945969 /nfs/dbraw/zinc/94/59/69/456945969.db2.gz PXWVEYGVXORWSN-UHFFFAOYSA-N 2 0 343.437 3.083 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000345162312 456948709 /nfs/dbraw/zinc/94/87/09/456948709.db2.gz SATJAFNUZOOSAL-GOSISDBHSA-N 2 0 345.531 3.408 20 0 EGADRP CCOC(=O)c1coc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000353933846 456970916 /nfs/dbraw/zinc/97/09/16/456970916.db2.gz WRKDDDTXNSYWOP-HOTGVXAUSA-N 2 0 336.476 3.304 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000349661146 457009650 /nfs/dbraw/zinc/00/96/50/457009650.db2.gz FDCGELSQGJIZPD-ZOBUZTSGSA-N 2 0 339.549 3.282 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339265904 457028974 /nfs/dbraw/zinc/02/89/74/457028974.db2.gz QIBPMFJAFUFDLC-IBGZPJMESA-N 2 0 345.531 3.276 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000356603745 457079020 /nfs/dbraw/zinc/07/90/20/457079020.db2.gz SGIXEHUUWGRDEM-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]21 ZINC000342088845 457102247 /nfs/dbraw/zinc/10/22/47/457102247.db2.gz ASPAACHHPZOBOR-CEWLAPEOSA-N 2 0 349.478 3.498 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000346686791 457112130 /nfs/dbraw/zinc/11/21/30/457112130.db2.gz UIMOGAUYDATYOI-UHFFFAOYSA-N 2 0 332.488 3.338 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000346686625 457112268 /nfs/dbraw/zinc/11/22/68/457112268.db2.gz RTLDMFNIJKEWQS-UHFFFAOYSA-N 2 0 332.419 3.416 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342113205 457113516 /nfs/dbraw/zinc/11/35/16/457113516.db2.gz BLUXQQUYLXTHMN-IWKCEXAMSA-N 2 0 337.467 3.226 20 0 EGADRP C[C@H](C[NH2+]CC1(N2CCCCC2)CCOCC1)CC1CCOCC1 ZINC000350049598 457154524 /nfs/dbraw/zinc/15/45/24/457154524.db2.gz PDXGHBRQRLOQOK-SFHVURJKSA-N 2 0 338.536 3.064 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@@H]21 ZINC000346851307 457183896 /nfs/dbraw/zinc/18/38/96/457183896.db2.gz VUGLJNQSPQBZOF-RVKKMQEKSA-N 2 0 333.907 3.499 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354395806 457196518 /nfs/dbraw/zinc/19/65/18/457196518.db2.gz USCITBQJQJKGRM-INIZCTEOSA-N 2 0 339.483 3.440 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCCCn3cccn3)C2)CC1 ZINC000363015937 457197429 /nfs/dbraw/zinc/19/74/29/457197429.db2.gz MHXJSTARNNCFFW-HXUWFJFHSA-N 2 0 332.536 3.497 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347095951 457227866 /nfs/dbraw/zinc/22/78/66/457227866.db2.gz IQHGYBDGHIBTPE-GOSISDBHSA-N 2 0 328.435 3.180 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)C2 ZINC000331728643 457241514 /nfs/dbraw/zinc/24/15/14/457241514.db2.gz ZPUBRVUPGDMKJM-SZVBFZGTSA-N 2 0 329.488 3.455 20 0 EGADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342349084 457250160 /nfs/dbraw/zinc/25/01/60/457250160.db2.gz QLWJXQIMQSJIGG-AZUAARDMSA-N 2 0 338.536 3.159 20 0 EGADRP CC(C)[C@@H]1C[NH+](C/C=C/C[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339812523 457284670 /nfs/dbraw/zinc/28/46/70/457284670.db2.gz KVISGJWIOJPXCO-VGIQHARFSA-N 2 0 338.536 3.036 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OC)c2OC(F)F)CC1 ZINC000347202414 457286377 /nfs/dbraw/zinc/28/63/77/457286377.db2.gz KHSJMYXWGAFZAL-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357043579 457294719 /nfs/dbraw/zinc/29/47/19/457294719.db2.gz GPJLSKGPVSSDPM-CQSZACIVSA-N 2 0 346.425 3.176 20 0 EGADRP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000357049353 457298593 /nfs/dbraw/zinc/29/85/93/457298593.db2.gz KUYKGLWQAWHSRB-OAHLLOKOSA-N 2 0 340.414 3.118 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832212 457299249 /nfs/dbraw/zinc/29/92/49/457299249.db2.gz VCFLEWMCDYHJJP-FQEVSTJZSA-N 2 0 338.499 3.095 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C/C=C\c1ccccc1 ZINC000342442797 457306920 /nfs/dbraw/zinc/30/69/20/457306920.db2.gz MEKZZOQRMSNHTA-POHAHGRESA-N 2 0 325.456 3.215 20 0 EGADRP Fc1ccc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000357076328 457308757 /nfs/dbraw/zinc/30/87/57/457308757.db2.gz IQGGDOLWQDCFFP-INIZCTEOSA-N 2 0 329.419 3.302 20 0 EGADRP Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000354708290 457313910 /nfs/dbraw/zinc/31/39/10/457313910.db2.gz DSWHOIAITBWZAP-QGZVFWFLSA-N 2 0 338.499 3.148 20 0 EGADRP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357085780 457314085 /nfs/dbraw/zinc/31/40/85/457314085.db2.gz NZIBTVSFYPWFKE-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cc2[nH]c(C[NH+]3CCC(OCC[NH+](C)C)CC3)cc2c(C)c1 ZINC000360898813 457419951 /nfs/dbraw/zinc/41/99/51/457419951.db2.gz YFIAYONWCHGHII-UHFFFAOYSA-N 2 0 329.488 3.327 20 0 EGADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000390809070 457442365 /nfs/dbraw/zinc/44/23/65/457442365.db2.gz PRMZYNFNEJGZJX-HOTGVXAUSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392260543 457457434 /nfs/dbraw/zinc/45/74/34/457457434.db2.gz GNUKYOQITBCOTK-NVXWUHKLSA-N 2 0 337.508 3.016 20 0 EGADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000342694510 457460574 /nfs/dbraw/zinc/46/05/74/457460574.db2.gz NXDQHLAJGUNNRO-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C[C@@H]1Oc1ccccc1 ZINC000342696346 457460778 /nfs/dbraw/zinc/46/07/78/457460778.db2.gz CXQQGEBCJXPORJ-SXLOBPIMSA-N 2 0 346.515 3.059 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)CC[N@@H+]1C ZINC000357414280 457507679 /nfs/dbraw/zinc/50/76/79/457507679.db2.gz MKTMJWCVEZLBLI-GDBMZVCRSA-N 2 0 325.412 3.086 20 0 EGADRP CSC1(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC000356183317 457512995 /nfs/dbraw/zinc/51/29/95/457512995.db2.gz NWELJVMETADSCP-LJQANCHMSA-N 2 0 347.572 3.241 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400460124 457517209 /nfs/dbraw/zinc/51/72/09/457517209.db2.gz UIHILXHMWCBICO-WBVHZDCISA-N 2 0 339.524 3.237 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000400618099 457519082 /nfs/dbraw/zinc/51/90/82/457519082.db2.gz YONLOHPYWOYNOC-BURNTYAHSA-N 2 0 328.500 3.303 20 0 EGADRP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401071427 457522861 /nfs/dbraw/zinc/52/28/61/457522861.db2.gz AYGRSGPYPRONRE-MISXGVKJSA-N 2 0 327.241 3.066 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000401022428 457522964 /nfs/dbraw/zinc/52/29/64/457522964.db2.gz YIBOWAVWNDYZEA-GXRSIYKFSA-N 3 0 341.543 3.266 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000364204856 457525456 /nfs/dbraw/zinc/52/54/56/457525456.db2.gz BYLLUPYQXJYTCB-GOSISDBHSA-N 2 0 339.483 3.205 20 0 EGADRP C[C@@H](C[NH2+]Cc1ncc(CN(C)C)s1)Oc1ccc(Cl)cc1 ZINC000352709777 457549068 /nfs/dbraw/zinc/54/90/68/457549068.db2.gz GBKVONWNTIKIQZ-LBPRGKRZSA-N 2 0 339.892 3.415 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000364346421 457571598 /nfs/dbraw/zinc/57/15/98/457571598.db2.gz YXZWYFCJINIXTK-UIFIKXQLSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000408506233 457572260 /nfs/dbraw/zinc/57/22/60/457572260.db2.gz FGRRYUWUEIDIEI-MDZRGWNJSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1CC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000370267228 457603534 /nfs/dbraw/zinc/60/35/34/457603534.db2.gz RCPKHWXYFJWBLF-HZPDHXFCSA-N 2 0 332.488 3.205 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000357611008 457621425 /nfs/dbraw/zinc/62/14/25/457621425.db2.gz UONURZUDWUHOCX-PKOBYXMFSA-N 2 0 348.535 3.097 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000361174299 457629451 /nfs/dbraw/zinc/62/94/51/457629451.db2.gz WIGGEQHZDQRVMI-ZWKOTPCHSA-N 2 0 338.499 3.035 20 0 EGADRP Cc1cccc(C)c1OCCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894097 457648978 /nfs/dbraw/zinc/64/89/78/457648978.db2.gz FPAMOBUYMIUCIW-UHFFFAOYSA-N 2 0 343.471 3.317 20 0 EGADRP CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370635199 457687975 /nfs/dbraw/zinc/68/79/75/457687975.db2.gz OCBCIAIJHYWCML-YLJYHZDGSA-N 2 0 329.532 3.458 20 0 EGADRP C[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCC[NH2+]1 ZINC000357815784 457700188 /nfs/dbraw/zinc/70/01/88/457700188.db2.gz NDEAYPZCDWHNKV-HXUWFJFHSA-N 2 0 329.488 3.186 20 0 EGADRP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000361372948 457708975 /nfs/dbraw/zinc/70/89/75/457708975.db2.gz ARNPYFDYGXKVSI-GYCJOSAFSA-N 2 0 347.528 3.358 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCSC(C)(C)C)CC2)CC1 ZINC000374816640 457712495 /nfs/dbraw/zinc/71/24/95/457712495.db2.gz SSZSUOKGUDLGMX-UHFFFAOYSA-N 2 0 327.582 3.009 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364888204 457713338 /nfs/dbraw/zinc/71/33/38/457713338.db2.gz NBHAWBSHJXASRJ-INIZCTEOSA-N 2 0 337.895 3.310 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[NH+](C)C ZINC000357856028 457713859 /nfs/dbraw/zinc/71/38/59/457713859.db2.gz DXAKEKSSUJZISP-JGLNRKDHSA-N 2 0 345.531 3.364 20 0 EGADRP CC1(C)CCCN(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000361431982 457729906 /nfs/dbraw/zinc/72/99/06/457729906.db2.gz HXLQQDZAMKLOIG-UHFFFAOYSA-N 2 0 335.458 3.115 20 0 EGADRP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358042621 457749921 /nfs/dbraw/zinc/74/99/21/457749921.db2.gz VYYILZNLBKDRBV-LPHOPBHVSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CC(C)(C)c3ccccc3)CC2)CC1 ZINC000375013052 457758511 /nfs/dbraw/zinc/75/85/11/457758511.db2.gz OFKNIQNNUPIEOR-UHFFFAOYSA-N 2 0 343.559 3.455 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000433153894 457765319 /nfs/dbraw/zinc/76/53/19/457765319.db2.gz RDKZOQYMEBILIJ-LJQANCHMSA-N 2 0 347.478 3.083 20 0 EGADRP Cc1ccc2cc([C@H](C)[NH2+]CCCN3CCC[N@H+](C)CC3)oc2c1 ZINC000426049134 457765807 /nfs/dbraw/zinc/76/58/07/457765807.db2.gz IQIWEKBBRJRPGJ-KRWDZBQOSA-N 2 0 329.488 3.419 20 0 EGADRP C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000457693897 457796487 /nfs/dbraw/zinc/79/64/87/457796487.db2.gz IFKVYEKSTWCWRA-DLBZAZTESA-N 2 0 347.547 3.020 20 0 EGADRP Cc1cccc(CCC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000375240174 457847161 /nfs/dbraw/zinc/84/71/61/457847161.db2.gz HUEKPTVAIXGMDW-UHFFFAOYSA-N 2 0 343.559 3.277 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000411365314 457864136 /nfs/dbraw/zinc/86/41/36/457864136.db2.gz CMQDIAOMXVXTME-NRFANRHFSA-N 2 0 343.515 3.108 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000375292057 457867377 /nfs/dbraw/zinc/86/73/77/457867377.db2.gz JTHBATROZNCEHQ-RBBKRZOGSA-N 2 0 341.543 3.074 20 0 EGADRP CC[N@H+](CCC1CCN(c2ncnc(N)c2Cl)CC1)CC(C)C ZINC000433746912 457875955 /nfs/dbraw/zinc/87/59/55/457875955.db2.gz CAZXSUOMAHBJOY-UHFFFAOYSA-N 2 0 339.915 3.297 20 0 EGADRP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411489689 457900437 /nfs/dbraw/zinc/90/04/37/457900437.db2.gz MYWOKHHTCXTOKT-NEWSRXKRSA-N 2 0 337.552 3.026 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000367030342 457920730 /nfs/dbraw/zinc/92/07/30/457920730.db2.gz QDICERZQCGGINB-GHTZIAJQSA-N 2 0 329.532 3.268 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)COC2 ZINC000358324177 457933378 /nfs/dbraw/zinc/93/33/78/457933378.db2.gz WPISGQGKPHIZOI-IWMITWMQSA-N 2 0 344.499 3.135 20 0 EGADRP C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361971946 457985257 /nfs/dbraw/zinc/98/52/57/457985257.db2.gz OIKUCNIKHADLEU-IAGOWNOFSA-N 2 0 327.472 3.304 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000434668861 458032958 /nfs/dbraw/zinc/03/29/58/458032958.db2.gz DIZIXQVWUFZOLA-HXUWFJFHSA-N 2 0 339.483 3.076 20 0 EGADRP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000368445620 458038778 /nfs/dbraw/zinc/03/87/78/458038778.db2.gz MPCAEAPXNUSEFX-GWWPLSDWSA-N 2 0 339.483 3.036 20 0 EGADRP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000358506315 458046863 /nfs/dbraw/zinc/04/68/63/458046863.db2.gz LVXHTJXYKBXKNS-UHFFFAOYSA-N 2 0 340.471 3.436 20 0 EGADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000428247218 458107165 /nfs/dbraw/zinc/10/71/65/458107165.db2.gz SQXIJZXPZYTQTH-IYBDPMFKSA-N 2 0 349.519 3.428 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000358614041 458108557 /nfs/dbraw/zinc/10/85/57/458108557.db2.gz ZYLKAQDEPKJIEZ-JXFKEZNVSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412150323 458109265 /nfs/dbraw/zinc/10/92/65/458109265.db2.gz BQVKBTQXIQIRAJ-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)c1 ZINC000428301574 458116532 /nfs/dbraw/zinc/11/65/32/458116532.db2.gz AXPXXVLWTAVPPK-KRWDZBQOSA-N 2 0 331.847 3.301 20 0 EGADRP COc1c(Br)cccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000435373252 458124192 /nfs/dbraw/zinc/12/41/92/458124192.db2.gz DBHXHGFQGXMBKQ-NSHDSACASA-N 2 0 327.266 3.017 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435374140 458125379 /nfs/dbraw/zinc/12/53/79/458125379.db2.gz HLJQDNDUDVURTL-AEFFLSMTSA-N 2 0 338.499 3.394 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000435376989 458126307 /nfs/dbraw/zinc/12/63/07/458126307.db2.gz WYPWQLWVKSYFAF-INIZCTEOSA-N 2 0 325.456 3.220 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN(C)C1CC[NH2+]CC1 ZINC000435381124 458128689 /nfs/dbraw/zinc/12/86/89/458128689.db2.gz RLKSIYRSRXVUHK-UHFFFAOYSA-N 2 0 332.879 3.326 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435385849 458131986 /nfs/dbraw/zinc/13/19/86/458131986.db2.gz RVCHTEJMELCWGY-AEFFLSMTSA-N 2 0 325.456 3.220 20 0 EGADRP CC[N@H+](Cc1cc(OC)c(OC)cc1SC)[C@@H]1CCC[NH2+]CC1 ZINC000435393078 458135356 /nfs/dbraw/zinc/13/53/56/458135356.db2.gz YSKHTFMSHPKEIF-OAHLLOKOSA-N 2 0 338.517 3.390 20 0 EGADRP Cn1ccnc1C[N@H+](CC1CCCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420092 458140974 /nfs/dbraw/zinc/14/09/74/458140974.db2.gz BFYPURMHWAHWJQ-SFHVURJKSA-N 2 0 330.520 3.335 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000375998935 458155769 /nfs/dbraw/zinc/15/57/69/458155769.db2.gz IKOSLYZPSBNJKE-UHFFFAOYSA-N 2 0 332.879 3.296 20 0 EGADRP CCn1nc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c2ccccc21 ZINC000375997966 458156315 /nfs/dbraw/zinc/15/63/15/458156315.db2.gz DGPBERDHAGTCDP-UHFFFAOYSA-N 2 0 326.488 3.364 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCSCc3ccccc3)C2)CC1 ZINC000369298664 458163513 /nfs/dbraw/zinc/16/35/13/458163513.db2.gz NQDXWULLYDJEHX-HXUWFJFHSA-N 2 0 347.572 3.020 20 0 EGADRP Cc1cccc(OCCN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435628417 458176323 /nfs/dbraw/zinc/17/63/23/458176323.db2.gz QQLJOUVTPJGJDS-HXUWFJFHSA-N 2 0 339.483 3.413 20 0 EGADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000372330234 458278745 /nfs/dbraw/zinc/27/87/45/458278745.db2.gz FQPRYQYWXLEOEO-PZJWPPBQSA-N 2 0 329.532 3.070 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(Cl)cn3)CC2)C[C@H](C)O1 ZINC000376486899 458315419 /nfs/dbraw/zinc/31/54/19/458315419.db2.gz VGUYGFDKCCLMJI-GASCZTMLSA-N 2 0 337.895 3.056 20 0 EGADRP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)[C@H]1OC ZINC000459465531 458381359 /nfs/dbraw/zinc/38/13/59/458381359.db2.gz NVYFTHYRLZDHPE-ATZDWAIDSA-N 2 0 331.504 3.480 20 0 EGADRP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459557130 458410113 /nfs/dbraw/zinc/41/01/13/458410113.db2.gz GUFMPLQABQDTLC-ORAYPTAESA-N 2 0 327.403 3.301 20 0 EGADRP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCCC1 ZINC000423483102 458440111 /nfs/dbraw/zinc/44/01/11/458440111.db2.gz YFNJIEJTNQJFCT-DFQSSKMNSA-N 2 0 334.479 3.314 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C2 ZINC000423570042 458457987 /nfs/dbraw/zinc/45/79/87/458457987.db2.gz WRSSUUNSUKZDTO-QGZVFWFLSA-N 2 0 335.289 3.206 20 0 EGADRP C[N@H+](Cc1cc(Br)cc2cccnc21)CC(C)(C)C[NH3+] ZINC000430564215 458462404 /nfs/dbraw/zinc/46/24/04/458462404.db2.gz YXWQHCWMAFBZBO-UHFFFAOYSA-N 2 0 336.277 3.414 20 0 EGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000430593643 458467876 /nfs/dbraw/zinc/46/78/76/458467876.db2.gz PHRGRSHSGYOEEI-AWEZNQCLSA-N 2 0 329.847 3.113 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430600386 458469839 /nfs/dbraw/zinc/46/98/39/458469839.db2.gz XRUMOOUKSYOTFO-UHFFFAOYSA-N 2 0 346.393 3.286 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000430602617 458470530 /nfs/dbraw/zinc/47/05/30/458470530.db2.gz WXHOAUXEGCCJOC-AWEZNQCLSA-N 2 0 335.517 3.057 20 0 EGADRP CC(C)(C)C[C@@H](NC(=O)CN1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611868 458471515 /nfs/dbraw/zinc/47/15/15/458471515.db2.gz PXKYFQADMAFIHO-CRAIPNDOSA-N 2 0 349.494 3.090 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000430618832 458471773 /nfs/dbraw/zinc/47/17/73/458471773.db2.gz XIMGDQSNWWFTGR-UHFFFAOYSA-N 2 0 345.874 3.485 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC[C@@H](C[NH3+])C1 ZINC000430616737 458472010 /nfs/dbraw/zinc/47/20/10/458472010.db2.gz HINNWCSEANQNNN-BBWFWOEESA-N 2 0 339.483 3.076 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459782596 458477835 /nfs/dbraw/zinc/47/78/35/458477835.db2.gz MRJLQLZPLRUQNA-SJORKVTESA-N 2 0 334.504 3.265 20 0 EGADRP CO[C@@H]1CC[N@H+](CC[C@@H](C)[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564632 458481319 /nfs/dbraw/zinc/48/13/19/458481319.db2.gz MBVMQQBZJBZLIV-KURKYZTESA-N 2 0 340.552 3.259 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423791224 458484343 /nfs/dbraw/zinc/48/43/43/458484343.db2.gz HFHZAMBWWRQRHK-VQTJNVASSA-N 2 0 349.563 3.399 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1 ZINC000423809404 458487916 /nfs/dbraw/zinc/48/79/16/458487916.db2.gz KEFNMLFNLSQYCL-GOSISDBHSA-N 2 0 334.423 3.398 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCC([NH3+])CC1 ZINC000437773261 458491153 /nfs/dbraw/zinc/49/11/53/458491153.db2.gz LQCMKDODGOPVHA-PNESKVBLSA-N 2 0 343.393 3.282 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430919921 458504829 /nfs/dbraw/zinc/50/48/29/458504829.db2.gz SFKOFTSHHRRJON-UHFFFAOYSA-N 2 0 337.467 3.333 20 0 EGADRP COc1sc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Br ZINC000430957597 458510276 /nfs/dbraw/zinc/51/02/76/458510276.db2.gz SZBGIXYPPVXGLO-UHFFFAOYSA-N 2 0 345.306 3.095 20 0 EGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000373512865 458515047 /nfs/dbraw/zinc/51/50/47/458515047.db2.gz CIZQXZDMVGZQGI-FQEVSTJZSA-N 2 0 338.499 3.299 20 0 EGADRP [NH3+]CC1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCC1 ZINC000431058489 458522066 /nfs/dbraw/zinc/52/20/66/458522066.db2.gz MXKANOVKJLRAEC-UHFFFAOYSA-N 2 0 329.488 3.173 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000461223700 458551302 /nfs/dbraw/zinc/55/13/02/458551302.db2.gz RQERUNPQNFQPIQ-YQVWRLOYSA-N 2 0 348.535 3.014 20 0 EGADRP [NH3+][C@@H](CCC(=O)NCCCNc1ccccn1)CC1CCCCC1 ZINC000424141411 458569500 /nfs/dbraw/zinc/56/95/00/458569500.db2.gz XEVJRBMROTUUPQ-KRWDZBQOSA-N 2 0 332.492 3.078 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000469979803 458604927 /nfs/dbraw/zinc/60/49/27/458604927.db2.gz ABCKIQVMSZMCKS-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000493988820 458612093 /nfs/dbraw/zinc/61/20/93/458612093.db2.gz LLBTZIAZSWIFKX-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(Cl)c1 ZINC000424316988 458613170 /nfs/dbraw/zinc/61/31/70/458613170.db2.gz QSMFCKQUHYIZND-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP COC(=O)CC1CC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000424349107 458623810 /nfs/dbraw/zinc/62/38/10/458623810.db2.gz MSEGGMVOMVEFOZ-XEVCZEQESA-N 2 0 344.499 3.220 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470773392 458648627 /nfs/dbraw/zinc/64/86/27/458648627.db2.gz NVRJVQUCIKDERH-DENIHFKCSA-N 2 0 340.511 3.407 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462789168 458653610 /nfs/dbraw/zinc/65/36/10/458653610.db2.gz QWXLZIUGDSNODG-SFHVURJKSA-N 2 0 329.532 3.460 20 0 EGADRP CN(C)c1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470999224 458673568 /nfs/dbraw/zinc/67/35/68/458673568.db2.gz TUOCJACNYYVMEN-OYRHEFFESA-N 2 0 335.495 3.316 20 0 EGADRP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC1CCCC1 ZINC000463236648 458685225 /nfs/dbraw/zinc/68/52/25/458685225.db2.gz JDYIHARUKUXBIJ-NRFANRHFSA-N 2 0 344.543 3.472 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530218697 458721206 /nfs/dbraw/zinc/72/12/06/458721206.db2.gz GTCIEVJNVXMNJF-JOYOIKCWSA-N 2 0 333.220 3.334 20 0 EGADRP CC(C)COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432350890 458721785 /nfs/dbraw/zinc/72/17/85/458721785.db2.gz GLCUYTITHOASBO-SFHVURJKSA-N 2 0 334.504 3.312 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(-c3ccncc3)c2)CCCO1 ZINC000432357966 458723773 /nfs/dbraw/zinc/72/37/73/458723773.db2.gz NPICTDHDXNSUDI-GOSISDBHSA-N 2 0 339.483 3.339 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)C(C)C ZINC000503927247 458729828 /nfs/dbraw/zinc/72/98/28/458729828.db2.gz HYWFOCRIAXJFNG-QZTJIDSGSA-N 2 0 340.556 3.010 20 0 EGADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)ccc1F ZINC000530321525 458746667 /nfs/dbraw/zinc/74/66/67/458746667.db2.gz BPTTYVVMXZNKEY-IBGZPJMESA-N 2 0 339.474 3.279 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000472092417 458767131 /nfs/dbraw/zinc/76/71/31/458767131.db2.gz BYOAFNCNSMGBIM-ROUUACIJSA-N 2 0 340.556 3.013 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000439960003 458770348 /nfs/dbraw/zinc/77/03/48/458770348.db2.gz UYQQCKXSSISEMG-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000494958276 458774091 /nfs/dbraw/zinc/77/40/91/458774091.db2.gz VJFJQUKCBCTUGP-HNNXBMFYSA-N 2 0 349.500 3.336 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)CCCNC(=O)C3CCC3)CC2)C1 ZINC000432799701 458789682 /nfs/dbraw/zinc/78/96/82/458789682.db2.gz ZBVIKFSUNHWJPU-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](CCC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C1CCCCC1 ZINC000548060939 458829988 /nfs/dbraw/zinc/82/99/88/458829988.db2.gz PDOKKGFKKWSZDN-UHFFFAOYSA-N 2 0 349.494 3.028 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC000548095599 458836440 /nfs/dbraw/zinc/83/64/40/458836440.db2.gz MTNPCYRTOJKAIL-UHFFFAOYSA-N 2 0 336.451 3.165 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000495387840 458846750 /nfs/dbraw/zinc/84/67/50/458846750.db2.gz LTCZYPCRPBGNOU-UHFFFAOYSA-N 2 0 335.492 3.141 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440822921 458857941 /nfs/dbraw/zinc/85/79/41/458857941.db2.gz FENZGAOYYDVHDF-BETUJISGSA-N 2 0 332.414 3.276 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000474479922 458888254 /nfs/dbraw/zinc/88/82/54/458888254.db2.gz TUNIFJWKCAIJPT-LFDJNIOPSA-N 2 0 338.536 3.312 20 0 EGADRP C[C@@H]1CCN(CC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495746829 458939055 /nfs/dbraw/zinc/93/90/55/458939055.db2.gz DYFCRVWHKWJROL-KLAILNCOSA-N 2 0 339.524 3.001 20 0 EGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCCCC[NH2+]1 ZINC000519406209 458944261 /nfs/dbraw/zinc/94/42/61/458944261.db2.gz NKJUXUJCFYBSNH-FQEVSTJZSA-N 2 0 343.515 3.211 20 0 EGADRP FC(F)(F)Cn1cc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000566555715 458959788 /nfs/dbraw/zinc/95/97/88/458959788.db2.gz SIFGHWZMJQWTRL-HOTGVXAUSA-N 2 0 338.377 3.028 20 0 EGADRP COC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)s1 ZINC000531802281 458980178 /nfs/dbraw/zinc/98/01/78/458980178.db2.gz HRNMSDYKXSPNCU-UHFFFAOYSA-N 2 0 338.517 3.395 20 0 EGADRP CCOC(=O)N1CCC([NH2+][C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000495995973 459031544 /nfs/dbraw/zinc/03/15/44/459031544.db2.gz WGVLNBBWNFVALG-LJQANCHMSA-N 2 0 341.455 3.050 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C1CCCC1 ZINC000532155744 459038705 /nfs/dbraw/zinc/03/87/05/459038705.db2.gz LABVQOVXALICRQ-UHFFFAOYSA-N 2 0 337.552 3.218 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442868237 459046971 /nfs/dbraw/zinc/04/69/71/459046971.db2.gz GLGZZEBLFBALGG-INIZCTEOSA-N 2 0 335.561 3.475 20 0 EGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCC2 ZINC000442878119 459049679 /nfs/dbraw/zinc/04/96/79/459049679.db2.gz SGTJKGYEWVCARL-KRWDZBQOSA-N 2 0 329.532 3.242 20 0 EGADRP Cc1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000567122164 459051397 /nfs/dbraw/zinc/05/13/97/459051397.db2.gz WWQVWRMXGIELGU-KRWDZBQOSA-N 2 0 335.923 3.249 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442929572 459063660 /nfs/dbraw/zinc/06/36/60/459063660.db2.gz RVENLSJLCRNYTH-HNNXBMFYSA-N 2 0 348.441 3.328 20 0 EGADRP CCN(CC(=O)Nc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999382 459065277 /nfs/dbraw/zinc/06/52/77/459065277.db2.gz DUKPSMOHHJICMN-UHFFFAOYSA-N 2 0 325.456 3.209 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CCCC1 ZINC000577684611 459072986 /nfs/dbraw/zinc/07/29/86/459072986.db2.gz MOJJTRGPTCJIQC-MHTWAQMVSA-N 2 0 328.500 3.038 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1F ZINC000443062733 459081011 /nfs/dbraw/zinc/08/10/11/459081011.db2.gz VHUVCWPDFZOSGF-OAHLLOKOSA-N 2 0 346.450 3.178 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000567390511 459098920 /nfs/dbraw/zinc/09/89/20/459098920.db2.gz CADVFIHDJWPLBI-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)n1C ZINC000521069376 459118279 /nfs/dbraw/zinc/11/82/79/459118279.db2.gz IEFGKBBDCPQBLJ-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496254391 459126444 /nfs/dbraw/zinc/12/64/44/459126444.db2.gz KSWDEYWKXQZALR-OALUTQOASA-N 2 0 347.503 3.333 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000521443948 459153932 /nfs/dbraw/zinc/15/39/32/459153932.db2.gz IVZYYJDLCQLKAJ-UHFFFAOYSA-N 2 0 325.456 3.221 20 0 EGADRP Cc1ccc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cn1 ZINC000496346652 459159619 /nfs/dbraw/zinc/15/96/19/459159619.db2.gz VOTLHUQNRVQXOB-ROUUACIJSA-N 2 0 345.487 3.264 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000578232127 459167328 /nfs/dbraw/zinc/16/73/28/459167328.db2.gz IOAGPBWXDMMJOS-VQIMIIECSA-N 2 0 344.499 3.145 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000578232126 459167415 /nfs/dbraw/zinc/16/74/15/459167415.db2.gz IOAGPBWXDMMJOS-QFBILLFUSA-N 2 0 344.499 3.145 20 0 EGADRP CC(C)c1ccc(CC[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000578401359 459194818 /nfs/dbraw/zinc/19/48/18/459194818.db2.gz ILOYOUYFEWPJJZ-UHFFFAOYSA-N 2 0 343.559 3.312 20 0 EGADRP CC(C)[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000480535962 459203406 /nfs/dbraw/zinc/20/34/06/459203406.db2.gz AWVIRWTZFWWNDP-RXVVDRJESA-N 2 0 347.547 3.398 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCc3ccccn3)C2)s1 ZINC000567994199 459204404 /nfs/dbraw/zinc/20/44/04/459204404.db2.gz GDQWRWWXVDKIGX-KRWDZBQOSA-N 2 0 329.513 3.448 20 0 EGADRP [NH3+]CCOCC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000568050907 459215436 /nfs/dbraw/zinc/21/54/36/459215436.db2.gz MTXWIDCTWGHAJG-UHFFFAOYSA-N 2 0 341.293 3.169 20 0 EGADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786727 459220122 /nfs/dbraw/zinc/22/01/22/459220122.db2.gz KKMIJCKYVTZYDF-GOSISDBHSA-N 2 0 345.531 3.480 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537080 459231531 /nfs/dbraw/zinc/23/15/31/459231531.db2.gz CNTUCDVRRMUPCK-IRXDYDNUSA-N 2 0 341.540 3.057 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000590819023 459232291 /nfs/dbraw/zinc/23/22/91/459232291.db2.gz TYEYQJSEEWNDOV-KZNAEPCWSA-N 2 0 337.552 3.217 20 0 EGADRP O=C(C[N@H+](C1CC1)C1CCCC1)Nc1nc(CN2CCCC2)cs1 ZINC000559216113 459242980 /nfs/dbraw/zinc/24/29/80/459242980.db2.gz NUSNMRLIUZAUOX-UHFFFAOYSA-N 2 0 348.516 3.084 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000481493801 459257775 /nfs/dbraw/zinc/25/77/75/459257775.db2.gz KYCHIUKNLCOTQN-IBGZPJMESA-N 2 0 345.531 3.106 20 0 EGADRP Cc1ccccc1-n1cc(C[NH2+]CCCCC[NH+]2CCCCC2)nn1 ZINC000568318895 459268297 /nfs/dbraw/zinc/26/82/97/459268297.db2.gz HSZNFCXIXBXBDX-UHFFFAOYSA-N 2 0 341.503 3.322 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000590955476 459280884 /nfs/dbraw/zinc/28/08/84/459280884.db2.gz RGRNZBBBKAFIHK-WCIQWLHISA-N 2 0 348.556 3.397 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)N2CCCC2)c1 ZINC000560124930 459303716 /nfs/dbraw/zinc/30/37/16/459303716.db2.gz AGSWXEPDOCDHQI-QXOCSCLMSA-N 2 0 332.488 3.378 20 0 EGADRP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C3c4ccccc4-c4ccccc43)C2)nn1 ZINC000582113099 459309517 /nfs/dbraw/zinc/30/95/17/459309517.db2.gz WCNGHROYCZJYBL-INIZCTEOSA-N 2 0 345.450 3.144 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1C(C)(C)C ZINC000534351891 459321420 /nfs/dbraw/zinc/32/14/20/459321420.db2.gz HKQLUSYCKBBMMI-SJORKVTESA-N 2 0 345.531 3.222 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[NH+]1CCCCC1 ZINC000591158775 459325251 /nfs/dbraw/zinc/32/52/51/459325251.db2.gz HUFDGWZRQXQMPR-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000591202409 459332199 /nfs/dbraw/zinc/33/21/99/459332199.db2.gz OOAVBWZJXOQZDZ-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582305486 459343755 /nfs/dbraw/zinc/34/37/55/459343755.db2.gz BHDAWGPFDBCPAI-WDSOQIARSA-N 2 0 346.515 3.361 20 0 EGADRP C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000582568933 459387387 /nfs/dbraw/zinc/38/73/87/459387387.db2.gz IKCRDCZQYMMTEQ-GOSISDBHSA-N 2 0 334.467 3.482 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000569101335 459395924 /nfs/dbraw/zinc/39/59/24/459395924.db2.gz JPSBCTQARRAGEB-HNJRGHQBSA-N 2 0 343.515 3.330 20 0 EGADRP Cc1cc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000560979526 459409288 /nfs/dbraw/zinc/40/92/88/459409288.db2.gz WLJWYTSCULNRLH-UHFFFAOYSA-N 3 0 343.540 3.448 20 0 EGADRP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000561129735 459422295 /nfs/dbraw/zinc/42/22/95/459422295.db2.gz AOTAPVKMKPOQEH-XMSQKQJNSA-N 2 0 338.495 3.373 20 0 EGADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495591 459461876 /nfs/dbraw/zinc/46/18/76/459461876.db2.gz HHPATHVIQKDGSI-HOTGVXAUSA-N 2 0 339.439 3.229 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000596095405 459518352 /nfs/dbraw/zinc/51/83/52/459518352.db2.gz QDJDJUAOQMHUPG-WSZRMNBISA-N 2 0 334.529 3.197 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000497867574 459562063 /nfs/dbraw/zinc/56/20/63/459562063.db2.gz KQJHDRIQHPILCN-IXDOHACOSA-N 2 0 326.525 3.454 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000562473722 459569405 /nfs/dbraw/zinc/56/94/05/459569405.db2.gz JNHJBDSNGZOEJR-PMACEKPBSA-N 2 0 329.532 3.385 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000562626678 459605019 /nfs/dbraw/zinc/60/50/19/459605019.db2.gz WOCUCCFVGWRODZ-OLZOCXBDSA-N 2 0 345.409 3.210 20 0 EGADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000592491622 459613427 /nfs/dbraw/zinc/61/34/27/459613427.db2.gz BIWJNFKFJFQHAU-CABCVRRESA-N 2 0 336.501 3.055 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C(F)F)cc2)ccn1 ZINC000527525964 459655751 /nfs/dbraw/zinc/65/57/51/459655751.db2.gz FKGUHBQQQNMABD-UHFFFAOYSA-N 2 0 335.398 3.249 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCN(C(C)(C)C)C3=O)CC2)C1 ZINC000584231630 459686363 /nfs/dbraw/zinc/68/63/63/459686363.db2.gz GYUUROZYJWBENL-KBAYOESNSA-N 2 0 335.536 3.019 20 0 EGADRP [NH3+]CCC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000563275882 459753480 /nfs/dbraw/zinc/75/34/80/459753480.db2.gz QCGNBOQWZHTLLR-OAQYLSRUSA-N 2 0 343.515 3.095 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 ZINC000574053572 459773627 /nfs/dbraw/zinc/77/36/27/459773627.db2.gz NGZJBYDOLGBYIU-MJGOQNOKSA-N 2 0 341.430 3.438 20 0 EGADRP COCCC1CC[NH+]([C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000527937513 459776553 /nfs/dbraw/zinc/77/65/53/459776553.db2.gz VNAALDNLANVKJF-QGZVFWFLSA-N 2 0 334.504 3.437 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)[C@H]3CCC[C@H]32)cc1 ZINC000527978732 459786426 /nfs/dbraw/zinc/78/64/26/459786426.db2.gz GITLLTGFOBLZMP-COPLXBQBSA-N 2 0 326.484 3.198 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)c2ccccc21 ZINC000574174750 459788862 /nfs/dbraw/zinc/78/88/62/459788862.db2.gz JFJJTFLCCQUWIH-VQTJNVASSA-N 2 0 344.499 3.490 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000566108387 459806545 /nfs/dbraw/zinc/80/65/45/459806545.db2.gz WKQICDDTXQQGQX-OAQYLSRUSA-N 2 0 344.474 3.361 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000566115156 459808383 /nfs/dbraw/zinc/80/83/83/459808383.db2.gz BMTRQWVBUBHVBJ-YLJYHZDGSA-N 2 0 342.483 3.023 20 0 EGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000566415216 459862623 /nfs/dbraw/zinc/86/26/23/459862623.db2.gz YMAMOLXMRIACOZ-HXUWFJFHSA-N 2 0 338.499 3.396 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000575982278 460044904 /nfs/dbraw/zinc/04/49/04/460044904.db2.gz OGEPAONECHGZJV-JCYILVPMSA-N 2 0 344.421 3.071 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000621751466 460047526 /nfs/dbraw/zinc/04/75/26/460047526.db2.gz HGETUZKGQYDEOH-HKUYNNGSSA-N 2 0 329.488 3.194 20 0 EGADRP COc1cccc2c1CCC[C@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000589349524 460076924 /nfs/dbraw/zinc/07/69/24/460076924.db2.gz JEKBAIZPVWKOAI-QGZVFWFLSA-N 2 0 334.529 3.490 20 0 EGADRP CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000589512160 460097024 /nfs/dbraw/zinc/09/70/24/460097024.db2.gz UPICDYPITYOAJF-LJQANCHMSA-N 2 0 334.504 3.048 20 0 EGADRP COC(=O)CC1CCC([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000599025157 460130874 /nfs/dbraw/zinc/13/08/74/460130874.db2.gz LFEPQBFENZTQGS-YYZRRKBYSA-N 2 0 338.536 3.456 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000576811668 460217621 /nfs/dbraw/zinc/21/76/21/460217621.db2.gz KKPOUFHCUDQLCB-IYBDPMFKSA-N 2 0 349.485 3.361 20 0 EGADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000576820442 460218665 /nfs/dbraw/zinc/21/86/65/460218665.db2.gz RUJPNSAHBAALGA-HZPDHXFCSA-N 2 0 339.483 3.015 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599311619 460226591 /nfs/dbraw/zinc/22/65/91/460226591.db2.gz ZFLRWTMUBGWTCF-XLIONFOSSA-N 2 0 343.515 3.019 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)C[C@@H]2CC)cc1 ZINC000622651727 460290164 /nfs/dbraw/zinc/29/01/64/460290164.db2.gz PXNWLBYTIGGNDJ-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000611439019 460365439 /nfs/dbraw/zinc/36/54/39/460365439.db2.gz FLMAJYAGLXKFBY-OAHLLOKOSA-N 2 0 332.488 3.462 20 0 EGADRP COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000631568672 460446941 /nfs/dbraw/zinc/44/69/41/460446941.db2.gz CIVBJWCKNHEWMT-OAQYLSRUSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000634680553 460473594 /nfs/dbraw/zinc/47/35/94/460473594.db2.gz VWMSJISTRCFLMY-WBVHZDCISA-N 2 0 349.494 3.186 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623335517 460494542 /nfs/dbraw/zinc/49/45/42/460494542.db2.gz QIJFYIYHJZSKJM-OAHLLOKOSA-N 2 0 333.455 3.007 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733848 460497779 /nfs/dbraw/zinc/49/77/79/460497779.db2.gz PQKKRCRLRKUMFE-KRWDZBQOSA-N 2 0 330.451 3.188 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733062 460498699 /nfs/dbraw/zinc/49/86/99/460498699.db2.gz WMEKMZQHBSVWSC-KRWDZBQOSA-N 2 0 344.478 3.496 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631668599 460501038 /nfs/dbraw/zinc/50/10/38/460501038.db2.gz ZTADPIHJQBKFMN-GJYPPUQNSA-N 2 0 326.488 3.147 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631668120 460501160 /nfs/dbraw/zinc/50/11/60/460501160.db2.gz VSNBRNMXHKLFOE-UYAOXDASSA-N 2 0 329.532 3.219 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+](C)C2)cc1 ZINC000628756204 460531551 /nfs/dbraw/zinc/53/15/51/460531551.db2.gz QTATXEKSNXLMOJ-IBGZPJMESA-N 2 0 345.531 3.380 20 0 EGADRP CC[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+](CC)CC ZINC000607050999 460783554 /nfs/dbraw/zinc/78/35/54/460783554.db2.gz MQRZPMAZDDIXKX-AEFFLSMTSA-N 2 0 333.520 3.352 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635482065 460804089 /nfs/dbraw/zinc/80/40/89/460804089.db2.gz FWFVTJIAVJBOSP-FQEVSTJZSA-N 2 0 343.515 3.114 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000627616407 460860384 /nfs/dbraw/zinc/86/03/84/460860384.db2.gz OCCCTGBSKXZUBV-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121764 460871587 /nfs/dbraw/zinc/87/15/87/460871587.db2.gz CRWKMFSINITCQL-SESVDKBCSA-N 2 0 329.532 3.219 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632949083 460902524 /nfs/dbraw/zinc/90/25/24/460902524.db2.gz AJMQDRKTRXNMHI-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000629971144 460980521 /nfs/dbraw/zinc/98/05/21/460980521.db2.gz ASOBMPOVQKTMQC-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP CCOc1cncc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621343649 460998354 /nfs/dbraw/zinc/99/83/54/460998354.db2.gz MFLRFHCUNMKJCC-PXNSSMCTSA-N 2 0 339.483 3.481 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628216942 461052997 /nfs/dbraw/zinc/05/29/97/461052997.db2.gz GHOQIZCLGSJLQF-QGZVFWFLSA-N 2 0 344.421 3.074 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000652349316 461141765 /nfs/dbraw/zinc/14/17/65/461141765.db2.gz KLRJBVBKXDERRA-LXZKKBNFSA-N 2 0 347.484 3.121 20 0 EGADRP Cc1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000652348132 461142279 /nfs/dbraw/zinc/14/22/79/461142279.db2.gz VKWQONPWOQKXMA-ZJOUEHCJSA-N 2 0 346.515 3.291 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349681 461144464 /nfs/dbraw/zinc/14/44/64/461144464.db2.gz YVZJZQPALMYTNU-YEWWUXTCSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1cccc2[nH]c(C[N@@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)cc21 ZINC000668161994 461148389 /nfs/dbraw/zinc/14/83/89/461148389.db2.gz LGGSSDWRALKBMY-IBGZPJMESA-N 2 0 340.515 3.077 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169743 461153849 /nfs/dbraw/zinc/15/38/49/461153849.db2.gz YTFOJPQHLNBQNZ-FXAWDEMLSA-N 2 0 346.515 3.264 20 0 EGADRP CCc1nocc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270816 461157664 /nfs/dbraw/zinc/15/76/64/461157664.db2.gz OPNXJAUBRCUWLB-XLIONFOSSA-N 2 0 327.472 3.409 20 0 EGADRP C[NH+](C)CCCOc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000646279099 461166523 /nfs/dbraw/zinc/16/65/23/461166523.db2.gz XMJHTTDKORWEPZ-UHFFFAOYSA-N 2 0 347.503 3.255 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290817 461167642 /nfs/dbraw/zinc/16/76/42/461167642.db2.gz KXJMCSHNILTNQS-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662294441 461173147 /nfs/dbraw/zinc/17/31/47/461173147.db2.gz FAWVQXPHMVQULK-ACRUOGEOSA-N 2 0 338.495 3.371 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293921 461173526 /nfs/dbraw/zinc/17/35/26/461173526.db2.gz VFEDZOHZUHTVKP-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313384 461185948 /nfs/dbraw/zinc/18/59/48/461185948.db2.gz LTLXFTCGCRZBPP-CRAIPNDOSA-N 2 0 331.504 3.335 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](NC)c1cccc(Cl)c1Cl ZINC000662439872 461241606 /nfs/dbraw/zinc/24/16/06/461241606.db2.gz QNSLMKOXCSIYAJ-XHDPSFHLSA-N 2 0 346.302 3.100 20 0 EGADRP CCCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000646421049 461249916 /nfs/dbraw/zinc/24/99/16/461249916.db2.gz QCDQIFQSQMJFNN-HKUYNNGSSA-N 2 0 344.503 3.184 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000638120845 461253348 /nfs/dbraw/zinc/25/33/48/461253348.db2.gz APUZRNPHDCLWBK-VYDXJSESSA-N 2 0 337.533 3.011 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659303225 461283141 /nfs/dbraw/zinc/28/31/41/461283141.db2.gz MFRDRHFXSJGSAN-QGZVFWFLSA-N 2 0 337.467 3.427 20 0 EGADRP c1ccc2c(c1)CC(C[NH2+]CC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000668513888 461308747 /nfs/dbraw/zinc/30/87/47/461308747.db2.gz ZAAVFTULRKNWIC-UHFFFAOYSA-N 2 0 335.495 3.298 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])o1 ZINC000659377275 461321685 /nfs/dbraw/zinc/32/16/85/461321685.db2.gz FDKWMYQLVWZSTL-NVXWUHKLSA-N 2 0 335.492 3.101 20 0 EGADRP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c(-c2ccccc2)n1 ZINC000641713911 461333742 /nfs/dbraw/zinc/33/37/42/461333742.db2.gz VLBZHNWOQFCEAF-KRWDZBQOSA-N 2 0 326.488 3.392 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638280407 461346359 /nfs/dbraw/zinc/34/63/59/461346359.db2.gz FJOPRXALYYLQKT-TYPHKJRUSA-N 2 0 327.516 3.428 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000633953425 461352448 /nfs/dbraw/zinc/35/24/48/461352448.db2.gz JDNCMWUJUWHDHB-BZSNNMDCSA-N 2 0 335.536 3.115 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc2c(c1)CCCC2 ZINC000638303232 461356852 /nfs/dbraw/zinc/35/68/52/461356852.db2.gz PGMJELFGIUUIMR-INIZCTEOSA-N 2 0 330.516 3.451 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000638330139 461372379 /nfs/dbraw/zinc/37/23/79/461372379.db2.gz QJZJAZNIMXDJLJ-SFTDATJTSA-N 2 0 346.515 3.060 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CC2 ZINC000655715921 461385175 /nfs/dbraw/zinc/38/51/75/461385175.db2.gz KJRMUKARERJIEA-FQEVSTJZSA-N 2 0 329.532 3.154 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000655728511 461397284 /nfs/dbraw/zinc/39/72/84/461397284.db2.gz VTCMPANFPZAPOY-XLIONFOSSA-N 2 0 328.500 3.381 20 0 EGADRP C[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1CCC[NH3+] ZINC000662893901 461407142 /nfs/dbraw/zinc/40/71/42/461407142.db2.gz RKNBHFJMOBHZHG-YLJYHZDGSA-N 2 0 343.515 3.262 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000652989075 461440238 /nfs/dbraw/zinc/44/02/38/461440238.db2.gz VRDAQYGUQLFNGI-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(OC(F)F)cc3)c2)CC1 ZINC000630960968 461443371 /nfs/dbraw/zinc/44/33/71/461443371.db2.gz KTIPLWYVPUJEIG-UHFFFAOYSA-N 2 0 348.397 3.047 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)N1CC[NH+](C)CC1 ZINC000666082363 461445829 /nfs/dbraw/zinc/44/58/29/461445829.db2.gz UQTDNMWTBGAGFN-PXNSSMCTSA-N 2 0 349.950 3.059 20 0 EGADRP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000666090689 461451441 /nfs/dbraw/zinc/45/14/41/461451441.db2.gz FAYLZSLWCCGGMW-MAUKXSAKSA-N 2 0 348.918 3.288 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647010563 461480942 /nfs/dbraw/zinc/48/09/42/461480942.db2.gz SUNYKRBPFQAUTI-HKUYNNGSSA-N 2 0 331.504 3.118 20 0 EGADRP CO[C@H](C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CCOC1 ZINC000638567803 461488956 /nfs/dbraw/zinc/48/89/56/461488956.db2.gz RXWFVZXWOZVZSB-NHCUHLMSSA-N 2 0 346.515 3.060 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042813 461496993 /nfs/dbraw/zinc/49/69/93/461496993.db2.gz TZYQMZXXRIBRPC-INIZCTEOSA-N 2 0 325.456 3.309 20 0 EGADRP O=c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c[nH]1 ZINC000631055749 461508980 /nfs/dbraw/zinc/50/89/80/461508980.db2.gz FLUGPPFCANLPJD-UHFFFAOYSA-N 2 0 325.456 3.453 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631063028 461515596 /nfs/dbraw/zinc/51/55/96/461515596.db2.gz FIKOAZXVHHKBAN-QGZVFWFLSA-N 2 0 343.490 3.342 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659983919 461529002 /nfs/dbraw/zinc/52/90/02/461529002.db2.gz YEGCJLUBJRXIGT-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647187215 461552800 /nfs/dbraw/zinc/55/28/00/461552800.db2.gz GYZFZQUTVDGZHU-UHFFFAOYSA-N 2 0 330.476 3.200 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@](C)([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201090 461556403 /nfs/dbraw/zinc/55/64/03/461556403.db2.gz ZSTZHZUWBUHESP-HXUWFJFHSA-N 2 0 331.504 3.021 20 0 EGADRP COc1ccc([C@@H](CNc2[nH+]ccc3[nH]ccc32)[NH+](C)C)cc1OC ZINC000663322618 461557219 /nfs/dbraw/zinc/55/72/19/461557219.db2.gz KOHVCEONIRXMNE-MRXNPFEDSA-N 2 0 340.427 3.295 20 0 EGADRP c1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)OCCCCO2 ZINC000663344010 461570624 /nfs/dbraw/zinc/57/06/24/461570624.db2.gz LYSASFDWCPYDJA-IBGZPJMESA-N 2 0 344.499 3.450 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663346983 461576135 /nfs/dbraw/zinc/57/61/35/461576135.db2.gz DSPDIXNEJIMMHJ-MRXNPFEDSA-N 2 0 328.460 3.190 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000663347076 461576681 /nfs/dbraw/zinc/57/66/81/461576681.db2.gz ZCINKIYLZBWBTN-STZQEDGTSA-N 2 0 341.543 3.361 20 0 EGADRP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000660122856 461594167 /nfs/dbraw/zinc/59/41/67/461594167.db2.gz ZNFSVMFNFSWYFG-VAMGGRTRSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000650146425 461598636 /nfs/dbraw/zinc/59/86/36/461598636.db2.gz ARORQOQDAXDBJI-KZNAEPCWSA-N 2 0 343.515 3.226 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647282698 461610785 /nfs/dbraw/zinc/61/07/85/461610785.db2.gz NFYANKZOMHAMCX-GHTZIAJQSA-N 2 0 347.547 3.398 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000647287614 461613816 /nfs/dbraw/zinc/61/38/16/461613816.db2.gz NJEVGPXBFOPBJR-GHTZIAJQSA-N 2 0 347.547 3.256 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000656197856 461642494 /nfs/dbraw/zinc/64/24/94/461642494.db2.gz CBJUDXRGVCJPQN-JHJVBQTASA-N 2 0 328.287 3.432 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000660256356 461669459 /nfs/dbraw/zinc/66/94/59/461669459.db2.gz KSBNRWKBXBYWEA-KKUMJFAQSA-N 2 0 346.437 3.488 20 0 EGADRP C[N@H+](Cc1cccc(C2CC2)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643293545 461670008 /nfs/dbraw/zinc/67/00/08/461670008.db2.gz RPOZBWBVGOSOKS-NRFANRHFSA-N 2 0 327.516 3.164 20 0 EGADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[C@H](C[NH3+])c4ccccc43)cc21 ZINC000639063850 461701549 /nfs/dbraw/zinc/70/15/49/461701549.db2.gz IQQMAHMHPCKUPR-QZTJIDSGSA-N 2 0 349.478 3.158 20 0 EGADRP Cc1nc2c(n1[C@H]1CC[N@@H+]([C@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076815 461710207 /nfs/dbraw/zinc/71/02/07/461710207.db2.gz RHSVBOCQAJTBPM-PBHICJAKSA-N 2 0 339.487 3.485 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000663584000 461712712 /nfs/dbraw/zinc/71/27/12/461712712.db2.gz ZZERVOCMVHSCKG-FQEVSTJZSA-N 2 0 344.503 3.325 20 0 EGADRP Clc1ccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000643457716 461731802 /nfs/dbraw/zinc/73/18/02/461731802.db2.gz ZKAMKQYPGFPMAJ-FGTMMUONSA-N 2 0 347.890 3.111 20 0 EGADRP O=C1[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCN1C1CCCCC1 ZINC000643467623 461736809 /nfs/dbraw/zinc/73/68/09/461736809.db2.gz DMUSXLYHXJOBRL-RLLQIKCJSA-N 2 0 341.499 3.003 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)CC[C@H]1[NH3+] ZINC000647498254 461737393 /nfs/dbraw/zinc/73/73/93/461737393.db2.gz DEDJTDDBEFDHQP-UYAOXDASSA-N 2 0 326.488 3.107 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000639118636 461738506 /nfs/dbraw/zinc/73/85/06/461738506.db2.gz DFIPLVQRGRWRSQ-LPHOPBHVSA-N 2 0 334.479 3.287 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000643480297 461743050 /nfs/dbraw/zinc/74/30/50/461743050.db2.gz SMYUUNAQQRBJNS-NNRACAPJSA-N 3 0 341.543 3.394 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)s2)cn1 ZINC000647542672 461754250 /nfs/dbraw/zinc/75/42/50/461754250.db2.gz AAJFYBPPAYNARY-JKSUJKDBSA-N 2 0 344.528 3.360 20 0 EGADRP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643535438 461755203 /nfs/dbraw/zinc/75/52/03/461755203.db2.gz DPEPAOGNTFAJGF-BBRMVZONSA-N 2 0 335.289 3.038 20 0 EGADRP c1cc(CCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647542742 461755179 /nfs/dbraw/zinc/75/51/79/461755179.db2.gz BHUBUWZHXWDSFW-UXHICEINSA-N 2 0 328.500 3.266 20 0 EGADRP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535036 461755278 /nfs/dbraw/zinc/75/52/78/461755278.db2.gz HXCZJNGPZJGQES-GJZGRUSLSA-N 2 0 325.378 3.210 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000643533861 461755425 /nfs/dbraw/zinc/75/54/25/461755425.db2.gz GEFFXTUUYBTACJ-IAQYHMDHSA-N 2 0 326.387 3.089 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543280 461757423 /nfs/dbraw/zinc/75/74/23/461757423.db2.gz KJAUNKCYTUZQAK-RTBURBONSA-N 2 0 338.499 3.392 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543567 461758717 /nfs/dbraw/zinc/75/87/17/461758717.db2.gz PNRRBLKWXDGKAL-IRXDYDNUSA-N 2 0 332.488 3.224 20 0 EGADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543921 461760073 /nfs/dbraw/zinc/76/00/73/461760073.db2.gz ULIJWMLVZHHYDQ-CABCVRRESA-N 2 0 330.501 3.350 20 0 EGADRP Brc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647549548 461763162 /nfs/dbraw/zinc/76/31/62/461763162.db2.gz HDGWSTDREDHKDM-QLFBSQMISA-N 2 0 349.316 3.458 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000639177031 461782950 /nfs/dbraw/zinc/78/29/50/461782950.db2.gz OMKXUKMOJOAITR-MJGOQNOKSA-N 2 0 344.499 3.355 20 0 EGADRP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647785543 461833146 /nfs/dbraw/zinc/83/31/46/461833146.db2.gz AQWDUVQWAFPVRK-IXDOHACOSA-N 2 0 327.497 3.330 20 0 EGADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647784614 461833225 /nfs/dbraw/zinc/83/32/25/461833225.db2.gz ZXYLCGUVLNLKNN-OKZBNKHCSA-N 2 0 329.488 3.149 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC1CCCC1 ZINC000647784293 461833579 /nfs/dbraw/zinc/83/35/79/461833579.db2.gz PPNUWDSXORBDJR-OKZBNKHCSA-N 2 0 344.499 3.494 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000647791868 461837147 /nfs/dbraw/zinc/83/71/47/461837147.db2.gz OXZUOQOXCRVGKE-FRRDWIJNSA-N 2 0 327.241 3.066 20 0 EGADRP c1coc(COCc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000647793038 461837976 /nfs/dbraw/zinc/83/79/76/461837976.db2.gz ISLOPVKBGYXPPC-VAMGGRTRSA-N 2 0 340.467 3.474 20 0 EGADRP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647795794 461838088 /nfs/dbraw/zinc/83/80/88/461838088.db2.gz WEMYCBNHEAEURH-YESZJQIVSA-N 2 0 341.430 3.491 20 0 EGADRP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647795792 461838285 /nfs/dbraw/zinc/83/82/85/461838285.db2.gz WEMYCBNHEAEURH-GVDBMIGSSA-N 2 0 341.430 3.491 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858109 461838699 /nfs/dbraw/zinc/83/86/99/461838699.db2.gz XRSOBDPFLXVBDG-QWHCGFSZSA-N 2 0 343.393 3.154 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccn1 ZINC000647793651 461838761 /nfs/dbraw/zinc/83/87/61/461838761.db2.gz CQGRSLLAAVOQKG-WCLQXYBISA-N 2 0 337.467 3.157 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000669997157 461860556 /nfs/dbraw/zinc/86/05/56/461860556.db2.gz ULMJGOWGAJSVRA-IZZQQSIFSA-N 2 0 334.504 3.310 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953839 461886320 /nfs/dbraw/zinc/88/63/20/461886320.db2.gz IYZGZMSLGAEHIL-CJNGLKHVSA-N 2 0 335.879 3.097 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000666955420 461886433 /nfs/dbraw/zinc/88/64/33/461886433.db2.gz IRKVEYIMRGJYJT-WKILWMFISA-N 2 0 346.906 3.440 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954039 461886497 /nfs/dbraw/zinc/88/64/97/461886497.db2.gz OKANOGYOOKTZGM-IAQYHMDHSA-N 2 0 341.268 3.251 20 0 EGADRP c1cn(-c2csc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)cn1 ZINC000656783604 461892328 /nfs/dbraw/zinc/89/23/28/461892328.db2.gz RARIWTMNPHLHBT-INIZCTEOSA-N 2 0 330.501 3.145 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784377 461893515 /nfs/dbraw/zinc/89/35/15/461893515.db2.gz CVPZAUSUIRCPGO-INIZCTEOSA-N 2 0 342.512 3.417 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC000656784745 461894175 /nfs/dbraw/zinc/89/41/75/461894175.db2.gz GTZWFIMRKZEPRQ-HNNXBMFYSA-N 2 0 346.906 3.438 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cnc21 ZINC000656786982 461898534 /nfs/dbraw/zinc/89/85/34/461898534.db2.gz YWZAVAWJMHXCFB-SFHVURJKSA-N 2 0 341.503 3.224 20 0 EGADRP c1ccc(CCN2CCC([NH2+][C@H]3CNc4ccccc4C3)CC2)cc1 ZINC000650716313 461908550 /nfs/dbraw/zinc/90/85/50/461908550.db2.gz XCYZQYLVZLZYJW-OAQYLSRUSA-N 2 0 335.495 3.320 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OC(C)C ZINC000650718688 461911573 /nfs/dbraw/zinc/91/15/73/461911573.db2.gz TUEJCDOZEQRCRT-UHFFFAOYSA-N 2 0 332.419 3.370 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000650723994 461916355 /nfs/dbraw/zinc/91/63/55/461916355.db2.gz WQQLAFZXJMIKSS-AHRSYUTCSA-N 2 0 325.456 3.096 20 0 EGADRP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975666 461917347 /nfs/dbraw/zinc/91/73/47/461917347.db2.gz DIZWJXYAXZLHIF-HOTGVXAUSA-N 2 0 344.434 3.087 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000648003560 461933108 /nfs/dbraw/zinc/93/31/08/461933108.db2.gz MZDSJGSFJODPHW-UHFFFAOYSA-N 2 0 330.476 3.152 20 0 EGADRP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc(OC)c1OC ZINC000650752359 461933708 /nfs/dbraw/zinc/93/37/08/461933708.db2.gz PQLHRJKKWNQTEE-LBPRGKRZSA-N 2 0 348.418 3.161 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Br ZINC000650764413 461941650 /nfs/dbraw/zinc/94/16/50/461941650.db2.gz XVOPAOFBUVNMAG-GFCCVEGCSA-N 2 0 341.293 3.498 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648035571 461952063 /nfs/dbraw/zinc/95/20/63/461952063.db2.gz ICIPVVMZPGZICZ-UHFFFAOYSA-N 2 0 330.476 3.296 20 0 EGADRP CC(C)COc1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648071522 461968808 /nfs/dbraw/zinc/96/88/08/461968808.db2.gz GPIJKLMYZMQBEM-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639553587 461985610 /nfs/dbraw/zinc/98/56/10/461985610.db2.gz OQKAWBCSOVQYDS-ICSRJNTNSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657314182 462039631 /nfs/dbraw/zinc/03/96/31/462039631.db2.gz XKJNFFFTNFIPLJ-OPYAIIAOSA-N 2 0 346.515 3.312 20 0 EGADRP NC(=O)C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000664384026 462040200 /nfs/dbraw/zinc/04/02/00/462040200.db2.gz DLIMMDDMKGYERR-SFHVURJKSA-N 2 0 343.515 3.150 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)CCO1 ZINC000648425875 462114702 /nfs/dbraw/zinc/11/47/02/462114702.db2.gz URHKEBLXFVATAX-MOPGFXCFSA-N 2 0 334.504 3.454 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[NH+]1CCCCC1 ZINC000657433683 462121176 /nfs/dbraw/zinc/12/11/76/462121176.db2.gz ZCFPZUBTAXVWHU-PXNSSMCTSA-N 2 0 332.488 3.208 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450599 462125077 /nfs/dbraw/zinc/12/50/77/462125077.db2.gz VNBYGSWIZCXQLO-FUHWJXTLSA-N 2 0 341.499 3.122 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(C)c1 ZINC000667616892 462175150 /nfs/dbraw/zinc/17/51/50/462175150.db2.gz AIMCKFJKYLHSID-UHFFFAOYSA-N 2 0 334.504 3.326 20 0 EGADRP CC[C@@](C)([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000639928175 462178798 /nfs/dbraw/zinc/17/87/98/462178798.db2.gz JXUUFTWGINYEEZ-HXUWFJFHSA-N 2 0 335.511 3.457 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+]Cc3nc4c(s3)CCC4)CC2)ccn1 ZINC000657613533 462204069 /nfs/dbraw/zinc/20/40/69/462204069.db2.gz MTWJXIKVYBGSQF-UHFFFAOYSA-N 2 0 342.512 3.029 20 0 EGADRP c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n(CC2CC2)n1 ZINC000667680841 462210521 /nfs/dbraw/zinc/21/05/21/462210521.db2.gz TZIHVJMDOQRMGJ-UHFFFAOYSA-N 2 0 330.520 3.381 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667726175 462232149 /nfs/dbraw/zinc/23/21/49/462232149.db2.gz NDYPCQDBFPNSTK-UHFFFAOYSA-N 2 0 332.492 3.025 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727632 462233272 /nfs/dbraw/zinc/23/32/72/462233272.db2.gz DJNAKDNSOQJVQG-HNNXBMFYSA-N 2 0 332.492 3.167 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cnc3n2CCC3)CC1)CC1CC1 ZINC000667758231 462248592 /nfs/dbraw/zinc/24/85/92/462248592.db2.gz ZOLSPBMJCLPASO-UHFFFAOYSA-N 2 0 330.520 3.163 20 0 EGADRP CCO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000648741029 462255059 /nfs/dbraw/zinc/25/50/59/462255059.db2.gz KZZVDRYYAJXTFE-NQIIRXRSSA-N 2 0 346.515 3.408 20 0 EGADRP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000651663373 462295194 /nfs/dbraw/zinc/29/51/94/462295194.db2.gz IXUAULDJLZRHPD-LJQANCHMSA-N 2 0 348.531 3.184 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCC3)[C@H](C)C1 ZINC000651709574 462311284 /nfs/dbraw/zinc/31/12/84/462311284.db2.gz AFXPWTHMFWBFIX-UTKZUKDTSA-N 2 0 330.516 3.402 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000645471737 462338639 /nfs/dbraw/zinc/33/86/39/462338639.db2.gz AIYJCNCHCPJBHQ-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP COc1cc2ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc2cc1OC ZINC000657986611 462338733 /nfs/dbraw/zinc/33/87/33/462338733.db2.gz GWMPKLAPSOXCEA-OAHLLOKOSA-N 2 0 346.471 3.086 20 0 EGADRP COc1cc2ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc2cc1OC ZINC000657986610 462339116 /nfs/dbraw/zinc/33/91/16/462339116.db2.gz GWMPKLAPSOXCEA-HNNXBMFYSA-N 2 0 346.471 3.086 20 0 EGADRP c1cn(Cc2ccc(-c3ccc(CC[NH+]4CCOCC4)cc3)cc2)cn1 ZINC000665212396 462355782 /nfs/dbraw/zinc/35/57/82/462355782.db2.gz YSBWAYAIEPWLON-UHFFFAOYSA-N 2 0 347.462 3.473 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090806 462379718 /nfs/dbraw/zinc/37/97/18/462379718.db2.gz JRLDQNABJAEXLX-FUHWJXTLSA-N 2 0 333.520 3.150 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277145 462380245 /nfs/dbraw/zinc/38/02/45/462380245.db2.gz UVJXYABXAHCMPR-XUVXKRRUSA-N 2 0 327.516 3.148 20 0 EGADRP C([NH+]1CC[C@H](C2CCC2)C1)C1(C[N@@H+]2CC[C@H](C3CCC3)C2)COC1 ZINC000665288232 462386363 /nfs/dbraw/zinc/38/63/63/462386363.db2.gz HUKNJZKUSQIGGV-PMACEKPBSA-N 2 0 332.532 3.247 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000665294339 462388981 /nfs/dbraw/zinc/38/89/81/462388981.db2.gz MTDRMAFGDDMXKY-HIFRSBDPSA-N 2 0 346.862 3.110 20 0 EGADRP C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531467 462430084 /nfs/dbraw/zinc/43/00/84/462430084.db2.gz KISTZWXVIFPSLS-GOSISDBHSA-N 2 0 331.504 3.236 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000640533494 462431353 /nfs/dbraw/zinc/43/13/53/462431353.db2.gz SSPQSYUPRVOQFU-UHFFFAOYSA-N 2 0 342.487 3.076 20 0 EGADRP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640533815 462432001 /nfs/dbraw/zinc/43/20/01/462432001.db2.gz WJYUOWZNAMIODA-QGZVFWFLSA-N 2 0 347.503 3.220 20 0 EGADRP c1cc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)ccn1 ZINC000658227437 462435112 /nfs/dbraw/zinc/43/51/12/462435112.db2.gz BIAPSPNNVFSKGE-HXUWFJFHSA-N 2 0 342.531 3.043 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140369 462447481 /nfs/dbraw/zinc/44/74/81/462447481.db2.gz MIUVXGUXMPPQQB-IKGGRYGDSA-N 2 0 348.487 3.380 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000649302998 462472443 /nfs/dbraw/zinc/47/24/43/462472443.db2.gz NCGBEQLZTPRHRI-ZWKOTPCHSA-N 2 0 345.874 3.067 20 0 EGADRP Cc1cc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000649317079 462478517 /nfs/dbraw/zinc/47/85/17/462478517.db2.gz FKINJEDOMLSOHY-IYBDPMFKSA-N 2 0 327.472 3.265 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000658355659 462489165 /nfs/dbraw/zinc/48/91/65/462489165.db2.gz DSOBYEYSLSKIJD-INIZCTEOSA-N 2 0 339.487 3.040 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000649378657 462493325 /nfs/dbraw/zinc/49/33/25/462493325.db2.gz RMPFEZAWBBYXID-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187330516 527984806 /nfs/dbraw/zinc/98/48/06/527984806.db2.gz XGJJAGJMPLJZEN-GOSISDBHSA-N 2 0 343.515 3.053 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000166863383 528115965 /nfs/dbraw/zinc/11/59/65/528115965.db2.gz QIEBHZHQVAOZKE-CYBMUJFWSA-N 2 0 328.298 3.444 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000173793958 528175714 /nfs/dbraw/zinc/17/57/14/528175714.db2.gz HIRHQLQTMNZQNR-INIZCTEOSA-N 2 0 349.544 3.401 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000186748037 528201872 /nfs/dbraw/zinc/20/18/72/528201872.db2.gz SOOHNOKWRCOCLS-UHFFFAOYSA-N 2 0 345.409 3.029 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)n(-c2ccccc2)n1 ZINC000090602276 546658268 /nfs/dbraw/zinc/65/82/68/546658268.db2.gz OQJSGGSMODRJCQ-WMZOPIPTSA-N 2 0 340.515 3.432 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000123578787 546741118 /nfs/dbraw/zinc/74/11/18/546741118.db2.gz MQHGVIVFOJXBCX-KRWDZBQOSA-N 2 0 326.488 3.309 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000127768586 546773665 /nfs/dbraw/zinc/77/36/65/546773665.db2.gz LGQKDWSOJCAEGR-CJNGLKHVSA-N 2 0 339.936 3.102 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134388900 546828236 /nfs/dbraw/zinc/82/82/36/546828236.db2.gz OWAOXGPRBZKTLJ-WBMJQRKESA-N 2 0 342.314 3.206 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000155107927 546899304 /nfs/dbraw/zinc/89/93/04/546899304.db2.gz VCFOCPLKCMZVDX-CZUORRHYSA-N 2 0 339.936 3.102 20 0 EGADRP C[C@H](CCN1CCOC2(CCCC2)C1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000155090963 546899503 /nfs/dbraw/zinc/89/95/03/546899503.db2.gz WTZNTIJHBCFABH-GOSISDBHSA-N 2 0 336.520 3.055 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000155388871 546902235 /nfs/dbraw/zinc/90/22/35/546902235.db2.gz MZFJUNVJSHWZRO-GFCCVEGCSA-N 2 0 341.293 3.278 20 0 EGADRP CC[C@H](C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1)[NH+](C)C ZINC000157712978 546923022 /nfs/dbraw/zinc/92/30/22/546923022.db2.gz ZZSVXUMGXFPAOX-GOSISDBHSA-N 2 0 344.503 3.262 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000158015441 546925178 /nfs/dbraw/zinc/92/51/78/546925178.db2.gz CDBMZGSCRNABNK-HUUCEWRRSA-N 2 0 337.458 3.111 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000158886223 546931239 /nfs/dbraw/zinc/93/12/39/546931239.db2.gz NXHIXPURINLBRT-GOSISDBHSA-N 2 0 332.536 3.329 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1 ZINC000414302155 547856437 /nfs/dbraw/zinc/85/64/37/547856437.db2.gz NYCJEPQVORCDJN-SVGFKBNWSA-N 2 0 330.463 3.168 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928034 547861393 /nfs/dbraw/zinc/86/13/93/547861393.db2.gz PUAVSOLTBQRTDB-RBUKOAKNSA-N 2 0 326.488 3.216 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000414928094 547861920 /nfs/dbraw/zinc/86/19/20/547861920.db2.gz PVIBCILQZRXSTF-GJZGRUSLSA-N 2 0 338.377 3.455 20 0 EGADRP C[C@H]1COC(C)(C)C[NH+]1CCCCC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488156983 547978726 /nfs/dbraw/zinc/97/87/26/547978726.db2.gz BZNVYJIHBGUMBG-IRXDYDNUSA-N 2 0 326.525 3.155 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000673616229 548582367 /nfs/dbraw/zinc/58/23/67/548582367.db2.gz ADNHDEONUWPTNJ-SFHVURJKSA-N 2 0 334.529 3.394 20 0 EGADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000676572178 549111489 /nfs/dbraw/zinc/11/14/89/549111489.db2.gz OMUXSXBKYAXTPQ-UYAOXDASSA-N 2 0 332.488 3.208 20 0 EGADRP COc1ccc(COCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000676712500 549133762 /nfs/dbraw/zinc/13/37/62/549133762.db2.gz JPTLXJGSFLZXCG-WIYYLYMNSA-N 2 0 344.499 3.161 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(CO)o2)C[N@@H+]1Cc1ccccc1 ZINC000677129214 549214110 /nfs/dbraw/zinc/21/41/10/549214110.db2.gz OEXNWTRUTCDFDN-AEFFLSMTSA-N 2 0 328.456 3.162 20 0 EGADRP c1ccc([C@H](C[NH+]2CCCCC2)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677237097 549234941 /nfs/dbraw/zinc/23/49/41/549234941.db2.gz ASBJXIBTUOAEGD-HKBOAZHASA-N 2 0 327.516 3.430 20 0 EGADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)co2)cc1 ZINC000677237993 549235524 /nfs/dbraw/zinc/23/55/24/549235524.db2.gz UEHGSWYOYOJNIB-MJGOQNOKSA-N 2 0 325.456 3.409 20 0 EGADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678122392 549401967 /nfs/dbraw/zinc/40/19/67/549401967.db2.gz MZRWFJQRWYNJTM-PKOBYXMFSA-N 2 0 332.488 3.161 20 0 EGADRP CN(C)c1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000678139256 549408062 /nfs/dbraw/zinc/40/80/62/549408062.db2.gz PROJXJDVOAAUCN-UHFFFAOYSA-N 2 0 336.549 3.297 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCS1 ZINC000678270867 549452953 /nfs/dbraw/zinc/45/29/53/549452953.db2.gz LKIURZWYFOJFAI-LJQANCHMSA-N 2 0 334.529 3.489 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(C)n1 ZINC000678419370 549487468 /nfs/dbraw/zinc/48/74/68/549487468.db2.gz WITCVFQYGWRJDN-MRXNPFEDSA-N 2 0 327.472 3.490 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000678583784 549523990 /nfs/dbraw/zinc/52/39/90/549523990.db2.gz CQABCUVBOOBTRQ-XJKSGUPXSA-N 2 0 325.294 3.454 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000678583783 549524473 /nfs/dbraw/zinc/52/44/73/549524473.db2.gz CQABCUVBOOBTRQ-CZUORRHYSA-N 2 0 325.294 3.454 20 0 EGADRP c1ccc2c(c1)CN(CC[NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000678586041 549524590 /nfs/dbraw/zinc/52/45/90/549524590.db2.gz UVYJKKYQLYRCFS-UHFFFAOYSA-N 2 0 327.516 3.389 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000681695497 550028057 /nfs/dbraw/zinc/02/80/57/550028057.db2.gz FTJIKNCEISJFBN-UHFFFAOYSA-N 2 0 342.487 3.484 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(-n2cc(Cl)cn2)n1 ZINC000682497511 550106559 /nfs/dbraw/zinc/10/65/59/550106559.db2.gz DRCQXJZALSSPRJ-CQSZACIVSA-N 2 0 347.894 3.049 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1)C(C)C ZINC000684814802 550372172 /nfs/dbraw/zinc/37/21/72/550372172.db2.gz OLDTZGNIOVSPMJ-RTBURBONSA-N 2 0 331.504 3.129 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2ccccc2[nH]1 ZINC000685456046 550418280 /nfs/dbraw/zinc/41/82/80/550418280.db2.gz NTRSPBUVHYTIQQ-LJQANCHMSA-N 2 0 328.504 3.016 20 0 EGADRP CC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000685579708 550430230 /nfs/dbraw/zinc/43/02/30/550430230.db2.gz NOLOFHUHEQXTTG-SFHVURJKSA-N 2 0 345.531 3.322 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000729284789 574835307 /nfs/dbraw/zinc/83/53/07/574835307.db2.gz MKHRDNSPTAUEPK-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000729304400 574836511 /nfs/dbraw/zinc/83/65/11/574836511.db2.gz DMDPVYIRQDMYCT-UHFFFAOYSA-N 2 0 343.515 3.165 20 0 EGADRP CC1(C)CCc2cc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)ccc2O1 ZINC000732229654 575247129 /nfs/dbraw/zinc/24/71/29/575247129.db2.gz TWRLPOUJFCQOFO-LJQANCHMSA-N 2 0 346.515 3.117 20 0 EGADRP C[NH+](C)CCCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000742733958 576794486 /nfs/dbraw/zinc/79/44/86/576794486.db2.gz HWXKWUMTOAJZEH-UHFFFAOYSA-N 2 0 328.485 3.494 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000693032612 1298149039 /nfs/dbraw/zinc/14/90/39/1298149039.db2.gz VQQHRCYBRGVJTO-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000693733562 1298150475 /nfs/dbraw/zinc/15/04/75/1298150475.db2.gz AKYSXEMJIJOQDU-LELZANKISA-N 2 0 341.543 3.406 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1Br ZINC000051694170 1291682914 /nfs/dbraw/zinc/68/29/14/1291682914.db2.gz GDXLACYJOVBPSV-QFWMXSHPSA-N 2 0 327.266 3.378 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cccc(C)c2)CC1 ZINC000061070330 1291959717 /nfs/dbraw/zinc/95/97/17/1291959717.db2.gz GKTCRGSRIGLLCA-UHFFFAOYSA-N 2 0 337.511 3.422 20 0 EGADRP Cc1nn(C)c(C)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000067978369 1292180155 /nfs/dbraw/zinc/18/01/55/1292180155.db2.gz VPYWEKTZFSVTAC-UHFFFAOYSA-N 2 0 326.488 3.039 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2cccc(C[NH3+])c2)[NH+]2CCCC2)cc1 ZINC000827919927 1292402915 /nfs/dbraw/zinc/40/29/15/1292402915.db2.gz REZHXWBBSNPWDL-FQEVSTJZSA-N 2 0 337.467 3.021 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccnc3)CC2)c1 ZINC000075755954 1292407789 /nfs/dbraw/zinc/40/77/89/1292407789.db2.gz GILGLFCHOACVFI-UHFFFAOYSA-N 2 0 338.499 3.082 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cccc4[nH]ccc43)c2)CC1 ZINC000076399961 1292427817 /nfs/dbraw/zinc/42/78/17/1292427817.db2.gz BFLFIOIXHGDUTJ-UHFFFAOYSA-N 2 0 348.494 3.205 20 0 EGADRP Cc1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1C ZINC000076400293 1292428240 /nfs/dbraw/zinc/42/82/40/1292428240.db2.gz HBJIARQXYKMDEO-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000077327210 1292459890 /nfs/dbraw/zinc/45/98/90/1292459890.db2.gz OHXGWDIUVPIBJK-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP CC(C)CCOc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000078893184 1292532648 /nfs/dbraw/zinc/53/26/48/1292532648.db2.gz NSQBOLACJGARMS-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000086238410 1292730855 /nfs/dbraw/zinc/73/08/55/1292730855.db2.gz ZHGBZPQTMLYUIL-UHFFFAOYSA-N 2 0 329.419 3.201 20 0 EGADRP CCOC(=O)N1CCC([NH2+]C[C@@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000089137586 1292757831 /nfs/dbraw/zinc/75/78/31/1292757831.db2.gz QNUKOARHGXMWPK-SFHVURJKSA-N 2 0 339.524 3.098 20 0 EGADRP CCOC(=O)N1CCC([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000089158001 1292758931 /nfs/dbraw/zinc/75/89/31/1292758931.db2.gz TXMRFPOMJYKCKO-QGZVFWFLSA-N 2 0 347.503 3.108 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cc(Cl)cn1 ZINC000092295763 1292860721 /nfs/dbraw/zinc/86/07/21/1292860721.db2.gz XRVOSHUGPBJPDF-UHFFFAOYSA-N 2 0 333.867 3.128 20 0 EGADRP Cc1ncc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000105462888 1293039412 /nfs/dbraw/zinc/03/94/12/1293039412.db2.gz QDHXKRDCWBEJNS-ZDUSSCGKSA-N 2 0 348.491 3.193 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000834794951 1293150264 /nfs/dbraw/zinc/15/02/64/1293150264.db2.gz KRSATRXAJWFLRA-UHFFFAOYSA-N 2 0 338.455 3.452 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1)[C@@H](C)O ZINC000834889443 1293164894 /nfs/dbraw/zinc/16/48/94/1293164894.db2.gz XRQXUHKTIHFRSC-FCEWJHQRSA-N 2 0 334.504 3.491 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC2(CO)CC2)cc1C[NH+]1CCCCC1 ZINC000834895363 1293167135 /nfs/dbraw/zinc/16/71/35/1293167135.db2.gz BDDQETHAMVUTPQ-KRWDZBQOSA-N 2 0 346.515 3.494 20 0 EGADRP COCC[NH+]1CCC(NCc2ccc(-c3ccncc3)cc2F)CC1 ZINC000120140556 1293306987 /nfs/dbraw/zinc/30/69/87/1293306987.db2.gz XMJLBHFUDMSFRF-UHFFFAOYSA-N 2 0 343.446 3.088 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000120851253 1293343159 /nfs/dbraw/zinc/34/31/59/1293343159.db2.gz GLKCJEUFZCVTNN-IBGZPJMESA-N 2 0 326.488 3.330 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000131355261 1293687630 /nfs/dbraw/zinc/68/76/30/1293687630.db2.gz UVDHWVLRKQLPDF-MEDUHNTESA-N 2 0 331.287 3.347 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000150985143 1293901608 /nfs/dbraw/zinc/90/16/08/1293901608.db2.gz YKZQBRGZONPDGM-OAHLLOKOSA-N 2 0 343.309 3.204 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000151004403 1293902849 /nfs/dbraw/zinc/90/28/49/1293902849.db2.gz GETUQEHLMLZRFQ-FQEVSTJZSA-N 2 0 330.472 3.295 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000151468904 1293926101 /nfs/dbraw/zinc/92/61/01/1293926101.db2.gz ZIXNVQKSGFGXRA-RXVVDRJESA-N 2 0 329.532 3.217 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)C1 ZINC000155443573 1294098055 /nfs/dbraw/zinc/09/80/55/1294098055.db2.gz QNLMGJXWALFZBX-ROUUACIJSA-N 2 0 345.531 3.300 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnc3cnccn23)cc1 ZINC000156610428 1294150849 /nfs/dbraw/zinc/15/08/49/1294150849.db2.gz DKARZLKGFHAGAL-KRWDZBQOSA-N 2 0 349.482 3.394 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000161089033 1294285052 /nfs/dbraw/zinc/28/50/52/1294285052.db2.gz CWGSPYLTPRZWAI-GHTZIAJQSA-N 2 0 344.547 3.184 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163148259 1294329620 /nfs/dbraw/zinc/32/96/20/1294329620.db2.gz XOCSBIDGHHABIL-CYBMUJFWSA-N 2 0 336.373 3.291 20 0 EGADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)Cn1cccnc1=S ZINC000173511745 1294464457 /nfs/dbraw/zinc/46/44/57/1294464457.db2.gz LIRNXPKIRYPPHQ-UHFFFAOYSA-N 2 0 343.500 3.204 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C/C=C/Cl)CC1 ZINC000181642682 1294982731 /nfs/dbraw/zinc/98/27/31/1294982731.db2.gz GCPQQTILOAFZOX-GBXSZLQWSA-N 2 0 325.859 3.371 20 0 EGADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000870853621 1296113406 /nfs/dbraw/zinc/11/34/06/1296113406.db2.gz XGAPNTOPBFXQMP-MPGHIAIKSA-N 2 0 349.906 3.111 20 0 EGADRP CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000227809240 1296149714 /nfs/dbraw/zinc/14/97/14/1296149714.db2.gz LLZWTYBLYBKRHR-INIZCTEOSA-N 2 0 327.513 3.001 20 0 EGADRP CCc1nc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000237054048 1296218086 /nfs/dbraw/zinc/21/80/86/1296218086.db2.gz CUXDGMPQPHEULE-UHFFFAOYSA-N 2 0 345.512 3.470 20 0 EGADRP C[NH+](C)CCC[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000242547118 1296284323 /nfs/dbraw/zinc/28/43/23/1296284323.db2.gz BZMBMMYOJQEIEC-UHFFFAOYSA-N 2 0 341.455 3.349 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000247956952 1296403202 /nfs/dbraw/zinc/40/32/02/1296403202.db2.gz DEAZWGCAEDOFJF-WOJBJXKFSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000248145592 1296406585 /nfs/dbraw/zinc/40/65/85/1296406585.db2.gz DXHMJNVCKPCCRE-VQTJNVASSA-N 2 0 343.515 3.204 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248180448 1296408005 /nfs/dbraw/zinc/40/80/05/1296408005.db2.gz YIHJFEVUAWZXHR-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP [NH3+]Cc1cc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)co1 ZINC000261689950 1296598649 /nfs/dbraw/zinc/59/86/49/1296598649.db2.gz HKFNKYABIYIRBY-UHFFFAOYSA-N 2 0 338.411 3.441 20 0 EGADRP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000262005429 1296613775 /nfs/dbraw/zinc/61/37/75/1296613775.db2.gz RFIKOWYMZYMKER-UHFFFAOYSA-N 2 0 325.456 3.100 20 0 EGADRP COc1sc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000262149876 1296620038 /nfs/dbraw/zinc/62/00/38/1296620038.db2.gz ZUFLPLMQQLQFQN-UHFFFAOYSA-N 2 0 345.306 3.095 20 0 EGADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000264071721 1296692444 /nfs/dbraw/zinc/69/24/44/1296692444.db2.gz DKPIWCHGVMKCGM-NEPJUHHUSA-N 2 0 343.302 3.301 20 0 EGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(O)c1F ZINC000872045719 1296696589 /nfs/dbraw/zinc/69/65/89/1296696589.db2.gz AUEIIECFJJBPJP-AWEZNQCLSA-N 2 0 329.419 3.494 20 0 EGADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1)C1CCCC1 ZINC000872156598 1296776285 /nfs/dbraw/zinc/77/62/85/1296776285.db2.gz ACOUJQNKHBYYDX-MJGOQNOKSA-N 2 0 335.536 3.009 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1)C1CCCC1 ZINC000872158018 1296777152 /nfs/dbraw/zinc/77/71/52/1296777152.db2.gz RURULJOEWPVHGL-MGPUTAFESA-N 2 0 334.479 3.438 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000301465833 1296789100 /nfs/dbraw/zinc/78/91/00/1296789100.db2.gz FYJWJVCMMIBIHB-HZPDHXFCSA-N 2 0 341.540 3.247 20 0 EGADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000302099882 1296797554 /nfs/dbraw/zinc/79/75/54/1296797554.db2.gz BIFRPZAIEFYGJU-HOTGVXAUSA-N 2 0 339.524 3.129 20 0 EGADRP C[C@@](O)(C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000872223032 1296826264 /nfs/dbraw/zinc/82/62/64/1296826264.db2.gz LWZRJRCTXXOUPW-QGZVFWFLSA-N 2 0 344.421 3.192 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872280490 1296887288 /nfs/dbraw/zinc/88/72/88/1296887288.db2.gz MSRKBUBVAAJWMQ-MKXGPGLRSA-N 2 0 335.536 3.007 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(CO)CC2)cc1C[NH+]1CCCCC1 ZINC000305757156 1297043023 /nfs/dbraw/zinc/04/30/23/1297043023.db2.gz BLKDKXOSICQOFM-MRXNPFEDSA-N 2 0 332.488 3.104 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310944442 1297104284 /nfs/dbraw/zinc/10/42/84/1297104284.db2.gz XDKWGGNIZBRWQG-RXVVDRJESA-N 2 0 342.458 3.361 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000320688041 1297168988 /nfs/dbraw/zinc/16/89/88/1297168988.db2.gz DGMUTEFJBQVSOH-CZUORRHYSA-N 2 0 330.394 3.059 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000321847183 1297182252 /nfs/dbraw/zinc/18/22/52/1297182252.db2.gz BIYKDTKSRAATLT-QBPKDAKJSA-N 2 0 337.508 3.039 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[C@@H](n2cncn2)C1 ZINC000340186429 1297310781 /nfs/dbraw/zinc/31/07/81/1297310781.db2.gz QYRAOQKIHLTFJF-YRXWBPOGSA-N 2 0 333.524 3.252 20 0 EGADRP c1c(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)sc2c1C[NH2+]CC2 ZINC000873200391 1297346280 /nfs/dbraw/zinc/34/62/80/1297346280.db2.gz AFYJHBUXIZNIGH-SFHVURJKSA-N 2 0 341.524 3.148 20 0 EGADRP C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204321 1297351071 /nfs/dbraw/zinc/35/10/71/1297351071.db2.gz CVCZREPBZSEWSF-RDTXWAMCSA-N 2 0 328.481 3.356 20 0 EGADRP Clc1ccc2nc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)cn2c1 ZINC000873233019 1297375620 /nfs/dbraw/zinc/37/56/20/1297375620.db2.gz WHWSTFWNDUNFCI-INIZCTEOSA-N 2 0 332.879 3.390 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000873250858 1297391800 /nfs/dbraw/zinc/39/18/00/1297391800.db2.gz JAOZRJMTPBNRHR-KDYLLFBJSA-N 2 0 330.422 3.446 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260207 1297395426 /nfs/dbraw/zinc/39/54/26/1297395426.db2.gz VOCIMNQUFLFTNR-QNDFHXLGSA-N 3 0 327.516 3.017 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000873282242 1297409095 /nfs/dbraw/zinc/40/90/95/1297409095.db2.gz GLFLBCPHBJMXGC-UYAOXDASSA-N 2 0 338.499 3.066 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc2c(s1)CCCC2 ZINC000873290998 1297412471 /nfs/dbraw/zinc/41/24/71/1297412471.db2.gz HSCYREOYRFKZIG-HOCLYGCPSA-N 2 0 334.529 3.436 20 0 EGADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290071 1297413027 /nfs/dbraw/zinc/41/30/27/1297413027.db2.gz AQGWZROMUHBTKP-PKOBYXMFSA-N 2 0 330.516 3.491 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291602 1297414046 /nfs/dbraw/zinc/41/40/46/1297414046.db2.gz LIPIANVBOGSWJJ-WOJBJXKFSA-N 2 0 330.516 3.392 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291703 1297414439 /nfs/dbraw/zinc/41/44/39/1297414439.db2.gz ICGQOYAGPVUIOV-QFBILLFUSA-N 2 0 344.499 3.166 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291767 1297414465 /nfs/dbraw/zinc/41/44/65/1297414465.db2.gz XIEOUTPYGCNVSR-QFBILLFUSA-N 2 0 332.488 3.285 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2ccsc2S1 ZINC000873293285 1297415951 /nfs/dbraw/zinc/41/59/51/1297415951.db2.gz YTZQGAUEZRXGQG-GZBFAFLISA-N 2 0 338.542 3.422 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000386303243 1297589100 /nfs/dbraw/zinc/58/91/00/1297589100.db2.gz FZHNEBMTRUHXSC-NQIIRXRSSA-N 2 0 342.458 3.361 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399082729 1297723220 /nfs/dbraw/zinc/72/32/20/1297723220.db2.gz QGAOGVQBUZHXDA-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCCC[NH3+] ZINC000404381516 1297750834 /nfs/dbraw/zinc/75/08/34/1297750834.db2.gz LHUMLKJTRFHAFP-GBESFXJTSA-N 2 0 345.531 3.406 20 0 EGADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000493992934 1297949501 /nfs/dbraw/zinc/94/95/01/1297949501.db2.gz REGPLNTZOIZQHM-ZWKOTPCHSA-N 2 0 343.515 3.017 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000496286153 1297951388 /nfs/dbraw/zinc/95/13/88/1297951388.db2.gz STGHDXWIBODMQB-SJLPKXTDSA-N 2 0 339.911 3.357 20 0 EGADRP COc1cncc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000700058221 1298174136 /nfs/dbraw/zinc/17/41/36/1298174136.db2.gz IRFLSZSPVJZIKA-GOSISDBHSA-N 2 0 325.456 3.092 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000700800730 1298179686 /nfs/dbraw/zinc/17/96/86/1298179686.db2.gz VGFPYXOZRSWVTM-IKGGRYGDSA-N 2 0 339.524 3.144 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715036114 1298277046 /nfs/dbraw/zinc/27/70/46/1298277046.db2.gz CHJHWMVDBRTJJH-RTWAWAEBSA-N 3 0 329.532 3.492 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000715560095 1298280269 /nfs/dbraw/zinc/28/02/69/1298280269.db2.gz WSDMBBFUQFUBEP-FJBKBRRZSA-N 2 0 339.524 3.141 20 0 EGADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CC[NH2+]C(C)(C)C ZINC000719878205 1298323013 /nfs/dbraw/zinc/32/30/13/1298323013.db2.gz RGNNNNHDVAHDES-LJQANCHMSA-N 2 0 345.531 3.278 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000876810773 1299005931 /nfs/dbraw/zinc/00/59/31/1299005931.db2.gz DLTPFSIZWGFSOA-QKNQBKEWSA-N 2 0 346.515 3.467 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000876887303 1299049672 /nfs/dbraw/zinc/04/96/72/1299049672.db2.gz RAOYDLNICWDIIN-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000876949227 1299082641 /nfs/dbraw/zinc/08/26/41/1299082641.db2.gz OZYAFRXECDELDQ-HLAWJBBLSA-N 2 0 327.516 3.284 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000877136584 1299175880 /nfs/dbraw/zinc/17/58/80/1299175880.db2.gz IHTHZIHOOVQWCB-ZCNNSNEGSA-N 2 0 335.451 3.104 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000877448312 1299307816 /nfs/dbraw/zinc/30/78/16/1299307816.db2.gz DBILZSVBGBQZGF-UXPWSPDFSA-N 2 0 343.515 3.141 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1C ZINC000877683884 1299476753 /nfs/dbraw/zinc/47/67/53/1299476753.db2.gz MABLDLZIXAJTKC-UHFFFAOYSA-N 2 0 347.503 3.116 20 0 EGADRP COc1cc(C)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1OC ZINC000877684345 1299478039 /nfs/dbraw/zinc/47/80/39/1299478039.db2.gz MZINXZJYBCJBPD-UHFFFAOYSA-N 2 0 332.488 3.320 20 0 EGADRP CC(C)=C(C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000755206774 1300299207 /nfs/dbraw/zinc/29/92/07/1300299207.db2.gz MTBIMSGDQNMNMA-RTBURBONSA-N 2 0 335.536 3.138 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](CCCSCc3ccccc3)CC2)CC1 ZINC000879593796 1300618943 /nfs/dbraw/zinc/61/89/43/1300618943.db2.gz NPSYUPGMUYQXTD-UHFFFAOYSA-N 2 0 347.572 3.022 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC2CC(O)C2)cc1C[NH+]1CCCCC1 ZINC000762651697 1301722493 /nfs/dbraw/zinc/72/24/93/1301722493.db2.gz VTASQABVDSSJGL-ZRZPHAQCSA-N 2 0 346.515 3.493 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000763409886 1301897710 /nfs/dbraw/zinc/89/77/10/1301897710.db2.gz KHOGPIHNOWTOAE-QCFAMHMHSA-N 2 0 348.531 3.225 20 0 EGADRP O=c1oc2ccc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cc2o1 ZINC000882882803 1302147523 /nfs/dbraw/zinc/14/75/23/1302147523.db2.gz BCDBGZPVPAEYSF-UHFFFAOYSA-N 2 0 338.407 3.272 20 0 EGADRP COc1ccc2c(NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc[nH+]c2c1 ZINC000765456980 1302267332 /nfs/dbraw/zinc/26/73/32/1302267332.db2.gz ISIQGHKUDBAWRU-HUUCEWRRSA-N 2 0 329.444 3.155 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC2)C1 ZINC000883433218 1302442645 /nfs/dbraw/zinc/44/26/45/1302442645.db2.gz KXYKYKCVZICIMX-ANULTFPQSA-N 2 0 344.499 3.125 20 0 EGADRP C[C@]1(O)CCC[NH+](CCCCCCCC[N@H+]2CCC[C@](C)(O)C2)C1 ZINC000767024829 1302565934 /nfs/dbraw/zinc/56/59/34/1302565934.db2.gz AUIRDCKIZVWECU-PMACEKPBSA-N 2 0 340.552 3.021 20 0 EGADRP Cc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)o1 ZINC000767364289 1302652294 /nfs/dbraw/zinc/65/22/94/1302652294.db2.gz ZHBOFXGLYYZJMP-NRFANRHFSA-N 2 0 341.499 3.365 20 0 EGADRP CC(C)[C@@H](CC[N@H+](C)CC[C@@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000767413288 1302665869 /nfs/dbraw/zinc/66/58/69/1302665869.db2.gz ASIFTDUIYQPGNR-DLBZAZTESA-N 2 0 341.540 3.342 20 0 EGADRP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000769873655 1303186414 /nfs/dbraw/zinc/18/64/14/1303186414.db2.gz HPKGQCOZSILQKA-CQSZACIVSA-N 2 0 331.460 3.337 20 0 EGADRP CC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)C1 ZINC000770688418 1303306467 /nfs/dbraw/zinc/30/64/67/1303306467.db2.gz YUQPXUDDCAHILN-KRWDZBQOSA-N 2 0 335.536 3.036 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000771791395 1303443481 /nfs/dbraw/zinc/44/34/81/1303443481.db2.gz KNHNUUZGOBZYAN-NVXWUHKLSA-N 2 0 345.512 3.126 20 0 EGADRP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[C@@H]([N@@H+](C)C[C@H]3CC[C@H](C)O3)CC2)O1 ZINC000886389712 1303453981 /nfs/dbraw/zinc/45/39/81/1303453981.db2.gz VHVVLQMMCSNVTB-DNDRQTMDSA-N 2 0 338.536 3.296 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000886546996 1303494997 /nfs/dbraw/zinc/49/49/97/1303494997.db2.gz CCLAECDFRDANRV-UHFFFAOYSA-N 2 0 330.472 3.345 20 0 EGADRP O[C@@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217217 1303505131 /nfs/dbraw/zinc/50/51/31/1303505131.db2.gz JBFZYZFZVJUQSA-MNEFBYGVSA-N 2 0 334.891 3.322 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)cc12 ZINC000886571773 1303507727 /nfs/dbraw/zinc/50/77/27/1303507727.db2.gz IFVYKDHWMMMEGY-UHFFFAOYSA-N 2 0 341.503 3.163 20 0 EGADRP Cn1nccc1[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886621037 1303528099 /nfs/dbraw/zinc/52/80/99/1303528099.db2.gz ZGSFFSPOIJCKAD-NSPNGIHDSA-N 2 0 346.519 3.027 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000772513401 1303541965 /nfs/dbraw/zinc/54/19/65/1303541965.db2.gz YNQXNMPRCOAKKZ-INIZCTEOSA-N 2 0 337.552 3.314 20 0 EGADRP Clc1ccc(CC[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1Cl ZINC000886707724 1303572476 /nfs/dbraw/zinc/57/24/76/1303572476.db2.gz POVUCHAGGUPCMW-OAHLLOKOSA-N 2 0 343.298 3.379 20 0 EGADRP CCC1([NH+]2CCC2)CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000886716465 1303577901 /nfs/dbraw/zinc/57/79/01/1303577901.db2.gz ZTFHGENRKSMBJE-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000772951953 1303597588 /nfs/dbraw/zinc/59/75/88/1303597588.db2.gz PUHUSYKKPYZJEB-JQWIXIFHSA-N 2 0 330.259 3.004 20 0 EGADRP Cc1ncc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000773081379 1303620748 /nfs/dbraw/zinc/62/07/48/1303620748.db2.gz NJUVJNUIHWALQR-CQSZACIVSA-N 2 0 333.501 3.285 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1)CC(C)C ZINC000773270504 1303652221 /nfs/dbraw/zinc/65/22/21/1303652221.db2.gz GWHVUJHVTGBZPH-HXUWFJFHSA-N 2 0 349.563 3.282 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000774160711 1303781720 /nfs/dbraw/zinc/78/17/20/1303781720.db2.gz ZRINQQAHYSGLMV-FRTACKCFSA-N 2 0 336.483 3.193 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)ccc1OC ZINC000775399171 1303956107 /nfs/dbraw/zinc/95/61/07/1303956107.db2.gz AFEMMCMSOFFCMC-IRXDYDNUSA-N 2 0 344.503 3.473 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC ZINC000775416266 1303961759 /nfs/dbraw/zinc/96/17/59/1303961759.db2.gz OVSIKCZKQVVEGK-SNRMKQJTSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000775687149 1304015442 /nfs/dbraw/zinc/01/54/42/1304015442.db2.gz OJKBYADOCNDLNA-FXAWDEMLSA-N 2 0 338.499 3.148 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000779085217 1304528028 /nfs/dbraw/zinc/52/80/28/1304528028.db2.gz KUYVKSOJDVEEHA-HLAWJBBLSA-N 2 0 348.531 3.011 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000781640497 1304852919 /nfs/dbraw/zinc/85/29/19/1304852919.db2.gz HSOSSRYZMMGTAS-OAQYLSRUSA-N 2 0 347.462 3.091 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000783515831 1305102178 /nfs/dbraw/zinc/10/21/78/1305102178.db2.gz CCDPNVUNAYBXGV-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+]CC3CC[NH+](C)CC3)cn2)c1 ZINC000892615143 1305472543 /nfs/dbraw/zinc/47/25/43/1305472543.db2.gz WNVYFPQMZNIESS-UHFFFAOYSA-N 2 0 341.455 3.314 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786781037 1305627247 /nfs/dbraw/zinc/62/72/47/1305627247.db2.gz PVCODYMTNJEINW-IRXDYDNUSA-N 2 0 346.519 3.377 20 0 EGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786783197 1305629159 /nfs/dbraw/zinc/62/91/59/1305629159.db2.gz LELJQRSFDPDCJV-AWEZNQCLSA-N 2 0 344.503 3.176 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786817961 1305635299 /nfs/dbraw/zinc/63/52/99/1305635299.db2.gz YNRPJKYRKKTLMX-INIZCTEOSA-N 2 0 344.503 3.131 20 0 EGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+]CC1CC[NH+](C)CC1 ZINC000893215309 1305766162 /nfs/dbraw/zinc/76/61/62/1305766162.db2.gz FLGQRNOMDKKDJU-GFCCVEGCSA-N 2 0 343.284 3.451 20 0 EGADRP Cc1cc(F)ncc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000894300740 1306330294 /nfs/dbraw/zinc/33/02/94/1306330294.db2.gz KPTGYJFGZQRDHS-UHFFFAOYSA-N 2 0 343.446 3.292 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc(CC(F)(F)F)s3)C2)CC1 ZINC000894480294 1308914633 /nfs/dbraw/zinc/91/46/33/1308914633.db2.gz YLAAFNNWFPAVQD-ZDUSSCGKSA-N 2 0 347.450 3.412 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N2CCCCC2=O)cc1 ZINC000894557597 1308951919 /nfs/dbraw/zinc/95/19/19/1308951919.db2.gz GSYSSHFHEYKYGJ-SHFXZJCHSA-N 2 0 341.499 3.479 20 0 EGADRP O=C1O[C@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC12CCC2 ZINC000792209540 1309143698 /nfs/dbraw/zinc/14/36/98/1309143698.db2.gz QGIDUVZYAIKEDI-SFHVURJKSA-N 2 0 334.504 3.060 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000795980864 1309875222 /nfs/dbraw/zinc/87/52/22/1309875222.db2.gz ABJLDHXMKDLWDP-FQEVSTJZSA-N 2 0 344.499 3.031 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000798180425 1310311525 /nfs/dbraw/zinc/31/15/25/1310311525.db2.gz FYFQWAHRJAXTHL-CTWPCTMYSA-N 2 0 328.456 3.346 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798955765 1310463355 /nfs/dbraw/zinc/46/33/55/1310463355.db2.gz WIHYTHUFSNJUDL-HXUWFJFHSA-N 2 0 332.488 3.078 20 0 EGADRP CCc1ccc2c(CN(C)CCC[NH+]3CCCC3)cc(=O)oc2c1 ZINC000799175698 1310498276 /nfs/dbraw/zinc/49/82/76/1310498276.db2.gz LMLOBDVLTMPMMA-UHFFFAOYSA-N 2 0 328.456 3.273 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ncc(Cl)n2C)C[N@@H+]1Cc1ccccc1 ZINC000799340156 1310528521 /nfs/dbraw/zinc/52/85/21/1310528521.db2.gz GUBBUJVXCHUDAV-DOTOQJQBSA-N 2 0 346.906 3.464 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2nc3ccccc3s2)CC1 ZINC000800373698 1310746100 /nfs/dbraw/zinc/74/61/00/1310746100.db2.gz UBGCYWVDSGJMNI-INIZCTEOSA-N 2 0 346.544 3.363 20 0 EGADRP CCCCn1nc(C)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1Cl ZINC000839180465 1320887088 /nfs/dbraw/zinc/88/70/88/1320887088.db2.gz DFFWHFQZNHLGGX-OAHLLOKOSA-N 2 0 326.916 3.467 20 0 EGADRP c1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)ccc1C[NH+]1CCCCC1 ZINC000839479171 1320927614 /nfs/dbraw/zinc/92/76/14/1320927614.db2.gz CCDXHAXSCZCYJP-FQEVSTJZSA-N 2 0 344.499 3.400 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NC(C)(C)C[NH+]3CCCC3)c2)C1 ZINC000857283967 1328526399 /nfs/dbraw/zinc/52/63/99/1328526399.db2.gz ZWAVWWVIDIQCDB-LJQANCHMSA-N 2 0 343.515 3.100 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801915278 1316964745 /nfs/dbraw/zinc/96/47/45/1316964745.db2.gz LWBABDIAASXPCV-CALCHBBNSA-N 2 0 327.582 3.009 20 0 EGADRP CC1(C)CC(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001018966886 1316987826 /nfs/dbraw/zinc/98/78/26/1316987826.db2.gz WMKRTEJGWHFJEL-PKOBYXMFSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1cccc(Cl)c1 ZINC001018962990 1316988082 /nfs/dbraw/zinc/98/80/82/1316988082.db2.gz SYULHFKKXIZCED-YOEHRIQHSA-N 2 0 349.906 3.076 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000899559287 1317089966 /nfs/dbraw/zinc/08/99/66/1317089966.db2.gz PRDMUCGGFPOWOR-LJQANCHMSA-N 2 0 347.547 3.260 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000899560576 1317090885 /nfs/dbraw/zinc/09/08/85/1317090885.db2.gz RRCFLIJSKHVUGZ-SFHVURJKSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001019337345 1317175501 /nfs/dbraw/zinc/17/55/01/1317175501.db2.gz GEHCZBSFXPJMHZ-IPMKNSEASA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)(C[NH3+])Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000900000905 1317216733 /nfs/dbraw/zinc/21/67/33/1317216733.db2.gz YUNCOCYZMSLVFX-UHFFFAOYSA-N 2 0 328.460 3.250 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000900230218 1317255341 /nfs/dbraw/zinc/25/53/41/1317255341.db2.gz YWDIRQLEZIVYCN-PMACEKPBSA-N 2 0 343.515 3.160 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000957278094 1317256436 /nfs/dbraw/zinc/25/64/36/1317256436.db2.gz FARRYQVHHBBJDT-QZTJIDSGSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001019469905 1317263557 /nfs/dbraw/zinc/26/35/57/1317263557.db2.gz UFQKBKLEBBSHHW-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC001019560588 1317290848 /nfs/dbraw/zinc/29/08/48/1317290848.db2.gz NXYRFCWMMOKJTL-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[NH+](CCC2CCCCCC2)CC1)[NH+](C)C ZINC000957411565 1317341692 /nfs/dbraw/zinc/34/16/92/1317341692.db2.gz KEJTXLFMBNXHFQ-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929771181 1328696236 /nfs/dbraw/zinc/69/62/36/1328696236.db2.gz LRGRCAVXCUJGID-NYLDSWQDSA-N 2 0 346.515 3.167 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812497 1317437848 /nfs/dbraw/zinc/43/78/48/1317437848.db2.gz RLTXDLCHVJHJIQ-OALUTQOASA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CC[NH+](CC(C)C)CC3)CC[N@@H+]1C ZINC000957552542 1317448807 /nfs/dbraw/zinc/44/88/07/1317448807.db2.gz SGFSUNSYZYGRAV-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806130546 1317462063 /nfs/dbraw/zinc/46/20/63/1317462063.db2.gz AHSBILUYYOUHOC-KRWDZBQOSA-N 2 0 345.874 3.453 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC000957569023 1317467572 /nfs/dbraw/zinc/46/75/72/1317467572.db2.gz WXCBMHKDVQQJIN-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957568895 1317467589 /nfs/dbraw/zinc/46/75/89/1317467589.db2.gz SDSXUFSNBCLANB-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957602809 1317492029 /nfs/dbraw/zinc/49/20/29/1317492029.db2.gz GDISBOYLKKHMAF-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000957614400 1317497194 /nfs/dbraw/zinc/49/71/94/1317497194.db2.gz GHBKTCNSKDAPLK-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC000957626610 1317504326 /nfs/dbraw/zinc/50/43/26/1317504326.db2.gz YJFYWHPKTMMIRQ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020028776 1317508304 /nfs/dbraw/zinc/50/83/04/1317508304.db2.gz JIPDDNVXYCAXOF-XSLAGTTESA-N 2 0 349.906 3.122 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633688 1317509001 /nfs/dbraw/zinc/50/90/01/1317509001.db2.gz LPBCBUVVNHWDLJ-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020144189 1317559722 /nfs/dbraw/zinc/55/97/22/1317559722.db2.gz TYVLJORJSXKZGK-SOAMZJECSA-N 2 0 343.515 3.166 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000902335055 1317565786 /nfs/dbraw/zinc/56/57/86/1317565786.db2.gz ICGZFHXPHKTTQE-IAGOWNOFSA-N 2 0 335.561 3.328 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000902347716 1317566865 /nfs/dbraw/zinc/56/68/65/1317566865.db2.gz JNJUTBLUIJNOJT-HXUWFJFHSA-N 3 0 329.532 3.266 20 0 EGADRP C[C@]1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000902384677 1317571721 /nfs/dbraw/zinc/57/17/21/1317571721.db2.gz UNTKLSZPKFUZNX-PZJWPPBQSA-N 2 0 329.532 3.266 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000902437498 1317578438 /nfs/dbraw/zinc/57/84/38/1317578438.db2.gz JOKYXKCCEHPLPQ-DGEVVOEJSA-N 2 0 335.495 3.254 20 0 EGADRP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1SC(F)(F)F ZINC000902514776 1317585185 /nfs/dbraw/zinc/58/51/85/1317585185.db2.gz PUHJKXGNVUKHQF-AAEUAGOBSA-N 2 0 334.407 3.155 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](CC)CC2CCCC2)CC1)[NH+](C)C ZINC000957726805 1317593038 /nfs/dbraw/zinc/59/30/38/1317593038.db2.gz ZHLSTVBWKJQHQA-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OCC)C2)[C@H](C)C1 ZINC000902806756 1317618465 /nfs/dbraw/zinc/61/84/65/1317618465.db2.gz NTTCPVRFCABIDW-YRXWBPOGSA-N 2 0 326.525 3.061 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001020288605 1317628127 /nfs/dbraw/zinc/62/81/27/1317628127.db2.gz FFRUWUKKWQSPOZ-UAFMIMERSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[NH+](CCC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000957786330 1317644658 /nfs/dbraw/zinc/64/46/58/1317644658.db2.gz KUWSHCMLULZRSE-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP COc1ccc(COCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903087924 1317650216 /nfs/dbraw/zinc/65/02/16/1317650216.db2.gz GYWUBRYHAKZGLN-CTXDPNEZSA-N 2 0 344.499 3.349 20 0 EGADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000903153662 1317664341 /nfs/dbraw/zinc/66/43/41/1317664341.db2.gz UPJHWRIEOFKITG-ZBUUHCTJSA-N 2 0 327.516 3.425 20 0 EGADRP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1 ZINC000903312562 1317687054 /nfs/dbraw/zinc/68/70/54/1317687054.db2.gz ZWQDGFZHKIIVNX-FQEVSTJZSA-N 2 0 334.479 3.420 20 0 EGADRP C[NH2+]C[C@H]1CCCN(Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000903712985 1317725072 /nfs/dbraw/zinc/72/50/72/1317725072.db2.gz CSMBJJHKSKKSFZ-OAHLLOKOSA-N 2 0 343.446 3.328 20 0 EGADRP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903728715 1317726086 /nfs/dbraw/zinc/72/60/86/1317726086.db2.gz FIBXDCKUAJRIOX-BEFAXECRSA-N 2 0 336.907 3.475 20 0 EGADRP c1ccc2sc([C@@H]3CCC[N@H+]3C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)nc2c1 ZINC000903734487 1317727308 /nfs/dbraw/zinc/72/73/08/1317727308.db2.gz ZFSVGJBKGZHCTD-SIXWZSSISA-N 2 0 343.496 3.202 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3)C2)C1 ZINC001020500033 1317731128 /nfs/dbraw/zinc/73/11/28/1317731128.db2.gz LTMDEBDBYJMMSJ-LEAZDLGRSA-N 2 0 343.515 3.106 20 0 EGADRP Cc1ccc(C)c(C2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903875614 1317740685 /nfs/dbraw/zinc/74/06/85/1317740685.db2.gz RXNZOOSNWYDQNW-CTNGQTDRSA-N 2 0 328.500 3.251 20 0 EGADRP CC(C)(C)c1csc([C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)n1 ZINC000903890150 1317742264 /nfs/dbraw/zinc/74/22/64/1317742264.db2.gz YRDREHQQOCKTTA-WTXIUTQJSA-N 2 0 349.544 3.345 20 0 EGADRP Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1C ZINC000903894911 1317744071 /nfs/dbraw/zinc/74/40/71/1317744071.db2.gz HLGHOMDKZXYRGL-FXAWDEMLSA-N 2 0 339.487 3.157 20 0 EGADRP Brc1ccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903923521 1317750503 /nfs/dbraw/zinc/75/05/03/1317750503.db2.gz WENLUGLRTMYTPT-UHFFFAOYSA-N 2 0 331.257 3.385 20 0 EGADRP CCc1csc(CC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000903931842 1317750682 /nfs/dbraw/zinc/75/06/82/1317750682.db2.gz JKVOETABGUSTSG-ZNXRZULTSA-N 2 0 333.545 3.491 20 0 EGADRP CN(C[C@@H]([NH3+])CCC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000904314189 1317829882 /nfs/dbraw/zinc/82/98/82/1317829882.db2.gz SUHCZEXDUKTGQZ-SFHVURJKSA-N 2 0 346.563 3.174 20 0 EGADRP C[C@]1(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CCC[NH2+]C1 ZINC000904366633 1317837835 /nfs/dbraw/zinc/83/78/35/1317837835.db2.gz NLXQGUIHQFIDQQ-IBGZPJMESA-N 2 0 329.419 3.492 20 0 EGADRP Cn1cnc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]CC4)CC3)ccc21 ZINC000904416771 1317844503 /nfs/dbraw/zinc/84/45/03/1317844503.db2.gz RIUJIKHXECLTKU-QGZVFWFLSA-N 2 0 326.488 3.175 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccccc1C[NH3+])[NH+](C)C ZINC000904639807 1317874220 /nfs/dbraw/zinc/87/42/20/1317874220.db2.gz WLRDFBQMMMPNCH-BEFAXECRSA-N 2 0 340.471 3.267 20 0 EGADRP CC(C)[C@@H](CNC(=O)Nc1ccccc1C[NH3+])[NH+]1CCC(C)CC1 ZINC000904667217 1317879681 /nfs/dbraw/zinc/87/96/81/1317879681.db2.gz YKJAFURQFTWBHG-GOSISDBHSA-N 2 0 332.492 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021281874 1318170703 /nfs/dbraw/zinc/17/07/03/1318170703.db2.gz PJPKJIAWOILXAZ-YGFFAISXSA-N 2 0 347.547 3.161 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001021303481 1318178549 /nfs/dbraw/zinc/17/85/49/1318178549.db2.gz XIALBQZJFNUWJR-RAFMOHDBSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CC2)C1 ZINC001021358000 1318208408 /nfs/dbraw/zinc/20/84/08/1318208408.db2.gz VZTVWGDGZCEBJH-UMQXSMKFSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CC2)CC1 ZINC001021426810 1318244079 /nfs/dbraw/zinc/24/40/79/1318244079.db2.gz NPAASUHYYGNVIJ-IHWFROFDSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1cccc(F)c1)[NH+](C)C ZINC000960131235 1318371494 /nfs/dbraw/zinc/37/14/94/1318371494.db2.gz RMPOOLHIHAIDTJ-MNEFBYGVSA-N 2 0 349.494 3.198 20 0 EGADRP Cn1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c(C(F)F)n1 ZINC000812755577 1318449701 /nfs/dbraw/zinc/44/97/01/1318449701.db2.gz ATFLNTPJDHJYBE-UHFFFAOYSA-N 2 0 326.435 3.244 20 0 EGADRP OCc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000858461284 1328768472 /nfs/dbraw/zinc/76/84/72/1328768472.db2.gz PZJFCURLWGOPKL-UHFFFAOYSA-N 2 0 337.467 3.066 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCC(C)(C)C)CC[C@H]32)CC1 ZINC001021666857 1318529045 /nfs/dbraw/zinc/52/90/45/1318529045.db2.gz XLOKJXKOZWOTBX-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP c1cc2c(cc1C[NH2+]C1CCN(C[C@@H]3CCCO3)CC1)CCCC2 ZINC000813772529 1318629047 /nfs/dbraw/zinc/62/90/47/1318629047.db2.gz JTDQHZRSUATTMQ-NRFANRHFSA-N 2 0 328.500 3.298 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000858491128 1328778006 /nfs/dbraw/zinc/77/80/06/1328778006.db2.gz YSPYKVCYNWJNMZ-ARFHVFGLSA-N 2 0 346.462 3.065 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960629036 1318754991 /nfs/dbraw/zinc/75/49/91/1318754991.db2.gz PSHJYVHPLOCANV-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960630639 1318755790 /nfs/dbraw/zinc/75/57/90/1318755790.db2.gz XKGFUGNXQATEEX-QZTJIDSGSA-N 2 0 349.544 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001022165035 1318825258 /nfs/dbraw/zinc/82/52/58/1318825258.db2.gz STMINAKGVXDRIW-FFGOWVMKSA-N 2 0 343.515 3.167 20 0 EGADRP CCc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000960717960 1318828086 /nfs/dbraw/zinc/82/80/86/1318828086.db2.gz NCVVUJRTJUQZSL-WOJBJXKFSA-N 2 0 345.531 3.012 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cc1C[NH+]1CCCCC1 ZINC000858545597 1328791972 /nfs/dbraw/zinc/79/19/72/1328791972.db2.gz SBLOVBZXJCJVAX-TXPKVOOTSA-N 2 0 332.488 3.103 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001022274120 1318870435 /nfs/dbraw/zinc/87/04/35/1318870435.db2.gz LTJGAMBIGIVXIU-KDURUIRLSA-N 2 0 347.547 3.070 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC000960942534 1319080368 /nfs/dbraw/zinc/08/03/68/1319080368.db2.gz YSWLEPIDFOPIKN-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001022838470 1319133465 /nfs/dbraw/zinc/13/34/65/1319133465.db2.gz PEWJCOVMZPRDHW-ZGXWSNOMSA-N 2 0 345.531 3.131 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000961030817 1319153717 /nfs/dbraw/zinc/15/37/17/1319153717.db2.gz FXBLDIZQUCGDOM-ZWKOTPCHSA-N 2 0 349.544 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000961030812 1319154057 /nfs/dbraw/zinc/15/40/57/1319154057.db2.gz FXBLDIZQUCGDOM-ROUUACIJSA-N 2 0 349.544 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC2)o1 ZINC000961051929 1319174537 /nfs/dbraw/zinc/17/45/37/1319174537.db2.gz XZSITMSXZCXDGX-QGZVFWFLSA-N 2 0 347.503 3.068 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022975537 1319197955 /nfs/dbraw/zinc/19/79/55/1319197955.db2.gz OBRDFXXQZMZQEA-ZRNYENFQSA-N 2 0 347.547 3.234 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC001023090753 1319257684 /nfs/dbraw/zinc/25/76/84/1319257684.db2.gz YBAKZKNOZMKRFY-FGTMMUONSA-N 2 0 349.906 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)c1 ZINC001023126008 1319274206 /nfs/dbraw/zinc/27/42/06/1319274206.db2.gz DQXCULRVHGUWCH-KDURUIRLSA-N 2 0 343.515 3.035 20 0 EGADRP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817896231 1319454967 /nfs/dbraw/zinc/45/49/67/1319454967.db2.gz ZZPRWMRWPYEJSE-KPFFTGBYSA-N 2 0 334.504 3.408 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817904234 1319457165 /nfs/dbraw/zinc/45/71/65/1319457165.db2.gz ARQAEMWCKSXQOE-JMERFSKESA-N 2 0 331.435 3.151 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)c1c(Cl)cccc1Cl ZINC000817919497 1319460439 /nfs/dbraw/zinc/46/04/39/1319460439.db2.gz RVHFKEWGMPYOTR-LXNMAIHNSA-N 2 0 329.271 3.288 20 0 EGADRP OC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000817922843 1319462268 /nfs/dbraw/zinc/46/22/68/1319462268.db2.gz MXQRHWBQIUKLDX-NGWDBGEYSA-N 2 0 328.500 3.327 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000817922691 1319462420 /nfs/dbraw/zinc/46/24/20/1319462420.db2.gz KIEPZSMDFIDICT-PIKADFDJSA-N 2 0 336.907 3.448 20 0 EGADRP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Br)ncc1F ZINC000817946846 1319471799 /nfs/dbraw/zinc/47/17/99/1319471799.db2.gz GKKPXRZBEDWSIK-DCAQKATOSA-N 2 0 330.245 3.022 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC ZINC000817948581 1319473895 /nfs/dbraw/zinc/47/38/95/1319473895.db2.gz IJTSRTNDELLVQQ-CVEARBPZSA-N 2 0 342.483 3.487 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023365125 1319476140 /nfs/dbraw/zinc/47/61/40/1319476140.db2.gz XOSHJQNUUUQCSU-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000817972066 1319481384 /nfs/dbraw/zinc/48/13/84/1319481384.db2.gz SVPNASZJWAZUCW-JTDSTZFVSA-N 3 0 333.520 3.328 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023402158 1319509977 /nfs/dbraw/zinc/50/99/77/1319509977.db2.gz HDSPEJWPUFCOBZ-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CCC)C2)CC1 ZINC000961368115 1319524524 /nfs/dbraw/zinc/52/45/24/1319524524.db2.gz QRTLIIIPYALFJK-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818962715 1319594209 /nfs/dbraw/zinc/59/42/09/1319594209.db2.gz WIZIGPHLWLMAMA-HXUWFJFHSA-N 2 0 330.447 3.489 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000818969625 1319597055 /nfs/dbraw/zinc/59/70/55/1319597055.db2.gz REMNWBMROVDUEV-PBHICJAKSA-N 2 0 344.421 3.450 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000819102647 1319637210 /nfs/dbraw/zinc/63/72/10/1319637210.db2.gz NLVGBBVZXABOAC-WFASDCNBSA-N 2 0 343.309 3.048 20 0 EGADRP O=C(NC1CC(C[NH2+]CC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC000962086028 1319820768 /nfs/dbraw/zinc/82/07/68/1319820768.db2.gz WMXCVSRKIZYLRG-UHFFFAOYSA-N 2 0 340.471 3.013 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000962308502 1319910194 /nfs/dbraw/zinc/91/01/94/1319910194.db2.gz GKQSIWATPCIMCC-IPJUCJBFSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023763588 1319910409 /nfs/dbraw/zinc/91/04/09/1319910409.db2.gz UREXTHOSFGCESL-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763211 1319910544 /nfs/dbraw/zinc/91/05/44/1319910544.db2.gz FENYTWNDQPKLPN-MSOLQXFVSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809009 1319956970 /nfs/dbraw/zinc/95/69/70/1319956970.db2.gz RNLLUQGHPJXTKU-XJKSGUPXSA-N 2 0 329.410 3.035 20 0 EGADRP C[C@H](O)C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000820814108 1319959738 /nfs/dbraw/zinc/95/97/38/1319959738.db2.gz FSVLESCWIKFIQH-BCOAZMJDSA-N 2 0 328.500 3.289 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)cc2)CC1 ZINC000822920279 1320137115 /nfs/dbraw/zinc/13/71/15/1320137115.db2.gz RPXNRRATKSVHQC-KURKYZTESA-N 2 0 338.455 3.391 20 0 EGADRP CCN1CCC[C@@H]1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823579121 1320188471 /nfs/dbraw/zinc/18/84/71/1320188471.db2.gz MRBRCJJSRUCRBB-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP CCOC(=O)c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)[nH]c1C ZINC000823966290 1320219112 /nfs/dbraw/zinc/21/91/12/1320219112.db2.gz JGUAVVRVYNVQSB-UHFFFAOYSA-N 2 0 347.503 3.387 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000826653689 1320393881 /nfs/dbraw/zinc/39/38/81/1320393881.db2.gz HYUQDHWEARJXTO-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000841032124 1321204650 /nfs/dbraw/zinc/20/46/50/1321204650.db2.gz MEFNNQVNZKOSAY-PGRDOPGGSA-N 2 0 337.511 3.331 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841035385 1321205535 /nfs/dbraw/zinc/20/55/35/1321205535.db2.gz ZRRWZGWQGHCPGZ-UHFFFAOYSA-N 2 0 338.430 3.111 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000841085162 1321216109 /nfs/dbraw/zinc/21/61/09/1321216109.db2.gz VVWKMBQBJMVJNP-MJGOQNOKSA-N 2 0 339.483 3.494 20 0 EGADRP CC(C)[C@@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[C@H](C)[NH3+] ZINC000841826291 1321320067 /nfs/dbraw/zinc/32/00/67/1321320067.db2.gz GSEKWGQMMHZIGT-WMLDXEAASA-N 2 0 328.460 3.419 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000842476479 1321394171 /nfs/dbraw/zinc/39/41/71/1321394171.db2.gz PMJUFVHWBBNUFJ-UHFFFAOYSA-N 2 0 332.414 3.448 20 0 EGADRP C[N@H+](Cc1ccccc1OCc1ccccn1)C1CCC([NH3+])CC1 ZINC000843055679 1321463018 /nfs/dbraw/zinc/46/30/18/1321463018.db2.gz KJVOGHSJJJWEPD-UHFFFAOYSA-N 2 0 325.456 3.362 20 0 EGADRP COc1cc(Br)c(C[NH2+]CCCCCC[NH3+])c(OC)c1 ZINC000843128089 1321474486 /nfs/dbraw/zinc/47/44/86/1321474486.db2.gz TYPOVYOVWRSHHQ-UHFFFAOYSA-N 2 0 345.281 3.075 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000843342408 1321502854 /nfs/dbraw/zinc/50/28/54/1321502854.db2.gz QGNCFQYVTNUULG-PCCBWWKXSA-N 3 0 329.532 3.396 20 0 EGADRP C[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1CCC([NH3+])CC1 ZINC000843353283 1321503877 /nfs/dbraw/zinc/50/38/77/1321503877.db2.gz WRHMBEAJUOZULE-UHFFFAOYSA-N 2 0 343.443 3.142 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378284 1321508759 /nfs/dbraw/zinc/50/87/59/1321508759.db2.gz ZGQUBHCDMXQBFR-CVEARBPZSA-N 2 0 325.456 3.228 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378289 1321508864 /nfs/dbraw/zinc/50/88/64/1321508864.db2.gz ZGQUBHCDMXQBFR-HZPDHXFCSA-N 2 0 325.456 3.228 20 0 EGADRP Cc1ccc2c(C[N@H+](CCC[NH3+])CC3CCCC3)cc(=O)oc2c1 ZINC000843384837 1321509662 /nfs/dbraw/zinc/50/96/62/1321509662.db2.gz BSOFSKRVYRIIEL-UHFFFAOYSA-N 2 0 328.456 3.442 20 0 EGADRP CCCN(C(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844173865 1321576077 /nfs/dbraw/zinc/57/60/77/1321576077.db2.gz BAHXXXQBVKQHCJ-VQTJNVASSA-N 2 0 343.515 3.017 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)c1 ZINC000848620231 1321981281 /nfs/dbraw/zinc/98/12/81/1321981281.db2.gz AFZDTKFXYVQHIT-YLJYHZDGSA-N 2 0 338.455 3.190 20 0 EGADRP COC(=O)/C=C/c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000848910705 1322043210 /nfs/dbraw/zinc/04/32/10/1322043210.db2.gz NDAUJWYNTKTRFN-VAWYXSNFSA-N 2 0 342.439 3.159 20 0 EGADRP C[C@H]1C[C@@H](CCNC(=[NH2+])N2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989288 1322056395 /nfs/dbraw/zinc/05/63/95/1322056395.db2.gz LIIWUAWQXOMWTQ-PKOBYXMFSA-N 2 0 328.504 3.297 20 0 EGADRP [NH2+]=C(NCC12CCC(CC1)C2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000848994538 1322057422 /nfs/dbraw/zinc/05/74/22/1322057422.db2.gz YPKNLBSTVYMFRU-UHFFFAOYSA-N 2 0 340.515 3.345 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cc(OCC)ccc1OCC ZINC000849050864 1322058563 /nfs/dbraw/zinc/05/85/63/1322058563.db2.gz MAFZABILMWXSJP-HNNXBMFYSA-N 2 0 348.491 3.295 20 0 EGADRP [NH2+]=C(NCc1ccccc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849053272 1322059934 /nfs/dbraw/zinc/05/99/34/1322059934.db2.gz RXYIMBBMXCDXPD-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP CCC(CC)[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCC1 ZINC000849057544 1322061542 /nfs/dbraw/zinc/06/15/42/1322061542.db2.gz FDIQRFBECUTCKG-IBGZPJMESA-N 2 0 330.520 3.244 20 0 EGADRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000849062051 1322063570 /nfs/dbraw/zinc/06/35/70/1322063570.db2.gz LSOUCGYHQLBAFH-IAGOWNOFSA-N 2 0 345.535 3.162 20 0 EGADRP C[NH+]1CCC(CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000849083529 1322071205 /nfs/dbraw/zinc/07/12/05/1322071205.db2.gz WSYRJGSOQNVMGB-UHFFFAOYSA-N 2 0 344.381 3.253 20 0 EGADRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000849091876 1322075031 /nfs/dbraw/zinc/07/50/31/1322075031.db2.gz OEPXZVNRGBIHRX-ZDUSSCGKSA-N 2 0 342.409 3.051 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000849106135 1322079818 /nfs/dbraw/zinc/07/98/18/1322079818.db2.gz WJNKDVAKPXTKJA-LJQANCHMSA-N 2 0 328.504 3.406 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)cc1C[NH+]1CCCCC1 ZINC000850517594 1322260765 /nfs/dbraw/zinc/26/07/65/1322260765.db2.gz XKZPHSJJJOUSBU-IRXDYDNUSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000850558814 1322267750 /nfs/dbraw/zinc/26/77/50/1322267750.db2.gz XHBSVPNKWXGVIP-BZNIZROVSA-N 2 0 331.287 3.347 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000921982032 1322434440 /nfs/dbraw/zinc/43/44/40/1322434440.db2.gz ZVRFKRXEULTWJK-CEXWTWQISA-N 2 0 334.529 3.017 20 0 EGADRP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922388508 1322516181 /nfs/dbraw/zinc/51/61/81/1322516181.db2.gz QUELUAQIHGCVSP-NCYKPQTJSA-N 2 0 346.515 3.043 20 0 EGADRP FC(F)(F)c1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312757 1322731634 /nfs/dbraw/zinc/73/16/34/1322731634.db2.gz PWTGOKKIFUBLMM-CZUORRHYSA-N 2 0 340.389 3.221 20 0 EGADRP Cn1c2ccccc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506610 1322765404 /nfs/dbraw/zinc/76/54/04/1322765404.db2.gz JVMALQOLCIDCHA-MRXNPFEDSA-N 2 0 326.488 3.175 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2ccccc2[nH]1 ZINC000924628899 1323082838 /nfs/dbraw/zinc/08/28/38/1323082838.db2.gz XOHMKKNIBZNCQQ-MRXNPFEDSA-N 2 0 349.482 3.166 20 0 EGADRP C[C@H](Cn1ccnc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924648380 1323092709 /nfs/dbraw/zinc/09/27/09/1323092709.db2.gz JXPWNJYCLYAVKG-LBFURVHYSA-N 2 0 338.499 3.447 20 0 EGADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000924667200 1323102691 /nfs/dbraw/zinc/10/26/91/1323102691.db2.gz HYALRNLVXROCSI-UWVAXJGDSA-N 2 0 343.515 3.065 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000924807409 1323170651 /nfs/dbraw/zinc/17/06/51/1323170651.db2.gz LRBFBJKGTKRQGF-UHFFFAOYSA-N 2 0 326.488 3.472 20 0 EGADRP CN(C)C(=O)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924831894 1323181363 /nfs/dbraw/zinc/18/13/63/1323181363.db2.gz OHOKTEYIDAVOIM-IHWFROFDSA-N 2 0 343.515 3.030 20 0 EGADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924940010 1323221301 /nfs/dbraw/zinc/22/13/01/1323221301.db2.gz IDRKEHWDLXTMOA-BHIFYINESA-N 2 0 344.543 3.472 20 0 EGADRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924952220 1323226257 /nfs/dbraw/zinc/22/62/57/1323226257.db2.gz WRGDFQRIBCAJPS-DOTOQJQBSA-N 2 0 338.927 3.049 20 0 EGADRP CSC1CC([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000924963204 1323231085 /nfs/dbraw/zinc/23/10/85/1323231085.db2.gz ISTXMKLKJGKHEF-IUDNXUCKSA-N 2 0 337.508 3.122 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000852798658 1323243808 /nfs/dbraw/zinc/24/38/08/1323243808.db2.gz MWPIUAQZNXNGOX-SFHVURJKSA-N 2 0 337.552 3.158 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436437 1323395258 /nfs/dbraw/zinc/39/52/58/1323395258.db2.gz DCEYSOYWWKEORF-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024437666 1323397322 /nfs/dbraw/zinc/39/73/22/1323397322.db2.gz UWICMLCKCLKDLI-ROUUACIJSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024437830 1323397872 /nfs/dbraw/zinc/39/78/72/1323397872.db2.gz WXZDWNPSKMXHIB-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440287 1323401563 /nfs/dbraw/zinc/40/15/63/1323401563.db2.gz MLKFLZISPQUUNE-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024469572 1323425621 /nfs/dbraw/zinc/42/56/21/1323425621.db2.gz TUPZPCLUVPDSEO-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024530607 1323475760 /nfs/dbraw/zinc/47/57/60/1323475760.db2.gz HDXWUGKZIMOBRP-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024812997 1323715155 /nfs/dbraw/zinc/71/51/55/1323715155.db2.gz VALQUXYDWUESLO-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001024902720 1323772066 /nfs/dbraw/zinc/77/20/66/1323772066.db2.gz YUABMCGFUHLNCY-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024979893 1323812430 /nfs/dbraw/zinc/81/24/30/1323812430.db2.gz ZMFFLGBDNPMISJ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024989321 1323814951 /nfs/dbraw/zinc/81/49/51/1323814951.db2.gz GWBMOQIUYXTAJX-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024989644 1323816023 /nfs/dbraw/zinc/81/60/23/1323816023.db2.gz VGUZLPWCXZAPGB-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025004839 1323822660 /nfs/dbraw/zinc/82/26/60/1323822660.db2.gz CIXJWELBHXAXAU-SFHVURJKSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3csc(-c4ccccc4F)n3)C[C@@H]2C1 ZINC000931434750 1329116778 /nfs/dbraw/zinc/11/67/78/1329116778.db2.gz ZSONCZLTWQMDMB-KGLIPLIRSA-N 2 0 331.460 3.333 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001025056628 1323861418 /nfs/dbraw/zinc/86/14/18/1323861418.db2.gz QFINVLWBQWJFDT-OALUTQOASA-N 2 0 335.536 3.163 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)cc1 ZINC001025114019 1323902617 /nfs/dbraw/zinc/90/26/17/1323902617.db2.gz FTMSVVMQBWZLEU-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001025160249 1323930809 /nfs/dbraw/zinc/93/08/09/1323930809.db2.gz CHRSCOHWAYHKAQ-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239183 1324030824 /nfs/dbraw/zinc/03/08/24/1324030824.db2.gz CJOOBCVKUPTEAQ-ZWKOTPCHSA-N 2 0 335.536 3.116 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CC2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001026494609 1324847917 /nfs/dbraw/zinc/84/79/17/1324847917.db2.gz WOZOZOXVNZVZSY-VIQWUECVSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026504173 1324853551 /nfs/dbraw/zinc/85/35/51/1324853551.db2.gz XHILLLOFBCUXRJ-CTWPCTMYSA-N 2 0 349.563 3.314 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000925157312 1325069164 /nfs/dbraw/zinc/06/91/64/1325069164.db2.gz QRBYDDIGVBEYTE-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP CC[C@@H]1COC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000925220681 1325085948 /nfs/dbraw/zinc/08/59/48/1325085948.db2.gz CMSKPZYYSJOTDT-TZIWHRDSSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(C[NH+](C)C)c1 ZINC000925259929 1325102694 /nfs/dbraw/zinc/10/26/94/1325102694.db2.gz YGNOWBCJVATBMN-YJBOKZPZSA-N 2 0 342.462 3.212 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963329226 1325113395 /nfs/dbraw/zinc/11/33/95/1325113395.db2.gz XCUKRQXJEBCKEV-PKOBYXMFSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925501427 1325179874 /nfs/dbraw/zinc/17/98/74/1325179874.db2.gz HZCZAXUPXZOOBQ-NPMXOYFQSA-N 2 0 330.497 3.336 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925532483 1325193543 /nfs/dbraw/zinc/19/35/43/1325193543.db2.gz GVEYCDOJQHBEHQ-LEWJYISDSA-N 2 0 338.499 3.189 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000925550393 1325203409 /nfs/dbraw/zinc/20/34/09/1325203409.db2.gz LWOCOGLENZTTHA-OAQYLSRUSA-N 2 0 334.467 3.485 20 0 EGADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925558162 1325207821 /nfs/dbraw/zinc/20/78/21/1325207821.db2.gz NZLYOHZOVQUBPL-UXHICEINSA-N 2 0 342.531 3.330 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000925560029 1325209759 /nfs/dbraw/zinc/20/97/59/1325209759.db2.gz VYPMQWOALLEQJO-RTBURBONSA-N 3 0 347.934 3.412 20 0 EGADRP CC[C@@H]([NH2+]C)c1nc(-c2ccc(OCC[NH+](CC)CC)cc2)no1 ZINC000854144694 1325219263 /nfs/dbraw/zinc/21/92/63/1325219263.db2.gz DZEZUDDBZPIAHJ-MRXNPFEDSA-N 2 0 332.448 3.128 20 0 EGADRP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925599767 1325228251 /nfs/dbraw/zinc/22/82/51/1325228251.db2.gz CHNLLCVPAUKPIM-FQEVSTJZSA-N 2 0 339.483 3.105 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027103904 1325228681 /nfs/dbraw/zinc/22/86/81/1325228681.db2.gz IFPYNWYWXLPGSO-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963420089 1325229215 /nfs/dbraw/zinc/22/92/15/1325229215.db2.gz HLXGAZTXEVNHPX-AFMYVXGZSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001027105153 1325230605 /nfs/dbraw/zinc/23/06/05/1325230605.db2.gz GHNQSSKPAAPHFY-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854232543 1325233508 /nfs/dbraw/zinc/23/35/08/1325233508.db2.gz SUZFDAKXFJCHSY-SJLPKXTDSA-N 2 0 344.503 3.007 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925621544 1325235419 /nfs/dbraw/zinc/23/54/19/1325235419.db2.gz FBYYGMRKVVJHQH-OXJNMPFZSA-N 2 0 327.472 3.142 20 0 EGADRP C[NH+](C)[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)c1cccc(C(F)(F)F)c1 ZINC000925644144 1325245080 /nfs/dbraw/zinc/24/50/80/1325245080.db2.gz YLITWPGBVJKEHU-LSDHHAIUSA-N 2 0 329.410 3.038 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000925651969 1325247220 /nfs/dbraw/zinc/24/72/20/1325247220.db2.gz MLWBSKDMAJHBOR-IXDOHACOSA-N 2 0 328.591 3.466 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001027151317 1325255043 /nfs/dbraw/zinc/25/50/43/1325255043.db2.gz VYBVHEMBDQJGOL-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CCO2)ccn1 ZINC000925691521 1325262667 /nfs/dbraw/zinc/26/26/67/1325262667.db2.gz NRSJWMCMZFJLKD-WCIQWLHISA-N 2 0 329.488 3.060 20 0 EGADRP c1cc([C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)CCO2)ccn1 ZINC000925691516 1325262919 /nfs/dbraw/zinc/26/29/19/1325262919.db2.gz NRSJWMCMZFJLKD-FYQPLNBISA-N 2 0 329.488 3.060 20 0 EGADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1C ZINC000925697690 1325263605 /nfs/dbraw/zinc/26/36/05/1325263605.db2.gz ZQPYGTYJQJBWGQ-NHCUHLMSSA-N 2 0 326.484 3.277 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925806304 1325309190 /nfs/dbraw/zinc/30/91/90/1325309190.db2.gz ZPRRRQGPMCZHCQ-HNNXBMFYSA-N 2 0 340.393 3.280 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CC[NH2+]CC3)cc1)CC2 ZINC000925807742 1325310375 /nfs/dbraw/zinc/31/03/75/1325310375.db2.gz HKYWKWORLCHRDU-JOCHJYFZSA-N 2 0 335.495 3.177 20 0 EGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925831883 1325320596 /nfs/dbraw/zinc/32/05/96/1325320596.db2.gz DVLMXLHGVLFTNH-BZUAXINKSA-N 2 0 337.305 3.278 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839746 1325324300 /nfs/dbraw/zinc/32/43/00/1325324300.db2.gz DBVQPJSJNJMUFC-MZMPZRCHSA-N 2 0 335.879 3.179 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000926168518 1325454343 /nfs/dbraw/zinc/45/43/43/1325454343.db2.gz UKHWKTBHPYGBFP-UHFFFAOYSA-N 2 0 344.503 3.372 20 0 EGADRP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000964015552 1325475812 /nfs/dbraw/zinc/47/58/12/1325475812.db2.gz URFRDKOIQNMFJZ-ACBHZAAOSA-N 2 0 337.552 3.265 20 0 EGADRP Cc1cccc2c1[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CC2 ZINC000926435616 1325553740 /nfs/dbraw/zinc/55/37/40/1325553740.db2.gz ONVOLZQQWLNPTR-IBGZPJMESA-N 2 0 339.483 3.498 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486810 1325571593 /nfs/dbraw/zinc/57/15/93/1325571593.db2.gz JNHMHJGUPBDBSQ-OXJNMPFZSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926535599 1325589450 /nfs/dbraw/zinc/58/94/50/1325589450.db2.gz BZXSSGWNSICGJD-QKYXUNIQSA-N 2 0 342.487 3.053 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)n1 ZINC000926572218 1327619947 /nfs/dbraw/zinc/61/99/47/1327619947.db2.gz CVQIYRDBLYBRHS-STQMWFEESA-N 2 0 326.282 3.227 20 0 EGADRP C[N@@H+]1C[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)[C@H](c2ccccc2)C1 ZINC000926637111 1327646961 /nfs/dbraw/zinc/64/69/61/1327646961.db2.gz ZHGWWFRHVWHLPD-GUFYVYCGSA-N 2 0 328.500 3.269 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cccc(C[NH+](C)C)c1 ZINC000926665199 1327657904 /nfs/dbraw/zinc/65/79/04/1327657904.db2.gz ZVKZLVISGBPNNR-FOIQADDNSA-N 2 0 337.467 3.352 20 0 EGADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926693400 1327669827 /nfs/dbraw/zinc/66/98/27/1327669827.db2.gz NWRVGCWBGUEVCH-GOSISDBHSA-N 2 0 340.471 3.257 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027442150 1327681274 /nfs/dbraw/zinc/68/12/74/1327681274.db2.gz BQJUZBAGOHJFTL-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC001027441929 1327682696 /nfs/dbraw/zinc/68/26/96/1327682696.db2.gz YZKNSZMADWTZCD-IBGZPJMESA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cnnn1-c1ccccc1 ZINC000926732756 1327689221 /nfs/dbraw/zinc/68/92/21/1327689221.db2.gz QQZOAFMCCKCDEK-INIZCTEOSA-N 2 0 339.487 3.040 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2cccc(Br)c2C)CC1 ZINC000926909401 1327770959 /nfs/dbraw/zinc/77/09/59/1327770959.db2.gz BAWSGJGJWMPKEC-UHFFFAOYSA-N 2 0 325.294 3.374 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926922235 1327777413 /nfs/dbraw/zinc/77/74/13/1327777413.db2.gz OIHHJZFDMFEFLX-PBHICJAKSA-N 2 0 343.437 3.426 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682854 1328080793 /nfs/dbraw/zinc/08/07/93/1328080793.db2.gz YESINBQORMBRCH-WOJBJXKFSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cs1 ZINC001027879487 1328344297 /nfs/dbraw/zinc/34/42/97/1328344297.db2.gz SVHPVWZGGMUMLX-QZTJIDSGSA-N 2 0 349.544 3.010 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCC2)CC[N@@H+]1C ZINC001027893142 1328358706 /nfs/dbraw/zinc/35/87/06/1328358706.db2.gz NVTPDWVBMBPMRE-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001027895388 1328361302 /nfs/dbraw/zinc/36/13/02/1328361302.db2.gz WPTAIUONOXDVEG-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027919646 1328398661 /nfs/dbraw/zinc/39/86/61/1328398661.db2.gz ZDQFDQOPQSDULD-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001028027658 1328491405 /nfs/dbraw/zinc/49/14/05/1328491405.db2.gz AGRGMEYREXXGNF-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cnn([C@H]4CCCCO4)c3)cc2)CC1 ZINC000863729245 1329578524 /nfs/dbraw/zinc/57/85/24/1329578524.db2.gz ZSEITXSLUFVTDG-HXUWFJFHSA-N 2 0 340.471 3.172 20 0 EGADRP c1coc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[NH+]2CCCC2)c1 ZINC000863983408 1329592474 /nfs/dbraw/zinc/59/24/74/1329592474.db2.gz GZLMDIBESKBERI-DQXYTYHJSA-N 2 0 329.488 3.164 20 0 EGADRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1C(C)(C)C ZINC000865413101 1329693781 /nfs/dbraw/zinc/69/37/81/1329693781.db2.gz YBGLNVGXTWCGBB-UHFFFAOYSA-N 2 0 347.547 3.110 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865427210 1329695836 /nfs/dbraw/zinc/69/58/36/1329695836.db2.gz ABZWTTOTJZGPER-AWEZNQCLSA-N 2 0 348.441 3.187 20 0 EGADRP C[NH+](C)CCCOC1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865585505 1329716651 /nfs/dbraw/zinc/71/66/51/1329716651.db2.gz VJWKECUXEFPQIU-UHFFFAOYSA-N 2 0 331.382 3.038 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000932427568 1329813926 /nfs/dbraw/zinc/81/39/26/1329813926.db2.gz WBPAVKICHANJSD-UHFFFAOYSA-N 2 0 347.503 3.260 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC000932481680 1329817587 /nfs/dbraw/zinc/81/75/87/1329817587.db2.gz ZIEWFWRNJKNAHL-IBGZPJMESA-N 2 0 331.504 3.016 20 0 EGADRP Cc1cccc(Cl)c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000866661965 1330138791 /nfs/dbraw/zinc/13/87/91/1330138791.db2.gz XVEMYFCFPPMHEQ-AYDFFVQHSA-N 2 0 335.879 3.035 20 0 EGADRP Cc1cccc(Cl)c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000866662145 1330138844 /nfs/dbraw/zinc/13/88/44/1330138844.db2.gz XVEMYFCFPPMHEQ-TTZDDIAXSA-N 2 0 335.879 3.035 20 0 EGADRP C[C@H]1C[N@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257105 1331889834 /nfs/dbraw/zinc/88/98/34/1331889834.db2.gz JDCKHWFRZGCTQM-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[N@H+](CCCC2CCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597030 1331995975 /nfs/dbraw/zinc/99/59/75/1331995975.db2.gz IAAAGXHOYNNWJX-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942720399 1332024601 /nfs/dbraw/zinc/02/46/01/1332024601.db2.gz IQHJBPOFEMDUNX-XLIONFOSSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943331994 1332150831 /nfs/dbraw/zinc/15/08/31/1332150831.db2.gz BEIFMBZMSUJRCY-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943516773 1332191964 /nfs/dbraw/zinc/19/19/64/1332191964.db2.gz MTGNDOPRVDESJQ-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028565 1332480812 /nfs/dbraw/zinc/48/08/12/1332480812.db2.gz JQFOZHFEOWEQNE-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653776 1332871908 /nfs/dbraw/zinc/87/19/08/1332871908.db2.gz GCZBCCMLHREUHH-HDICACEKSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779292 1332897877 /nfs/dbraw/zinc/89/78/77/1332897877.db2.gz MUAGKUOPZBRXDB-RLLQIKCJSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361225 1333102963 /nfs/dbraw/zinc/10/29/63/1333102963.db2.gz MRWFNOKKEJETHW-GOEBONIOSA-N 2 0 337.533 3.048 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CC1CCCC1 ZINC000947437807 1333127582 /nfs/dbraw/zinc/12/75/82/1333127582.db2.gz SWZYYCYPVYTQAX-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1=CCCCC1 ZINC000947493214 1333146240 /nfs/dbraw/zinc/14/62/40/1333146240.db2.gz QNAOVXSSFZLMLE-IEBWSBKVSA-N 2 0 345.531 3.084 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC1CCCCCC1 ZINC000947933959 1333311240 /nfs/dbraw/zinc/31/12/40/1333311240.db2.gz ILXJKXNNJRDQNQ-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948365536 1333496080 /nfs/dbraw/zinc/49/60/80/1333496080.db2.gz QEUBIDGZHBUANC-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948365537 1333496187 /nfs/dbraw/zinc/49/61/87/1333496187.db2.gz QEUBIDGZHBUANC-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000948553910 1333572203 /nfs/dbraw/zinc/57/22/03/1333572203.db2.gz OGDNUUCSIBAONY-QZTJIDSGSA-N 2 0 349.544 3.045 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643180 1333609113 /nfs/dbraw/zinc/60/91/13/1333609113.db2.gz RLZJMPMFXWHHJQ-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674449 1333623625 /nfs/dbraw/zinc/62/36/25/1333623625.db2.gz XULYRIGRPPBFGJ-SFHVURJKSA-N 2 0 335.536 3.140 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726085 1333648561 /nfs/dbraw/zinc/64/85/61/1333648561.db2.gz MZDFTMDVPBWMGU-QGZVFWFLSA-N 2 0 335.492 3.068 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)C1 ZINC000948765665 1333668359 /nfs/dbraw/zinc/66/83/59/1333668359.db2.gz AZDYNQSAYBOAMI-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775382 1333673673 /nfs/dbraw/zinc/67/36/73/1333673673.db2.gz HGNTUNYNSYNDTD-IEBWSBKVSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948775481 1333674835 /nfs/dbraw/zinc/67/48/35/1333674835.db2.gz JOFPUYMYSFJXQU-MJGOQNOKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948829445 1333701335 /nfs/dbraw/zinc/70/13/35/1333701335.db2.gz NBPLSUWRPCOVLC-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCC3CCCCCC3)CC2)CC[N@@H+]1C ZINC000949863114 1333947708 /nfs/dbraw/zinc/94/77/08/1333947708.db2.gz WEYDLDGGQYRMBT-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951628645 1334281335 /nfs/dbraw/zinc/28/13/35/1334281335.db2.gz YEPKHJKMVGBLPP-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000951749674 1334311103 /nfs/dbraw/zinc/31/11/03/1334311103.db2.gz CMXCRTOLUAIGEB-PXNSSMCTSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc3ncc(Br)cc3c2)C[C@H]1C[NH3+] ZINC001205150833 1370664224 /nfs/dbraw/zinc/66/42/24/1370664224.db2.gz LIJIXOWWBDWUGK-SMDDNHRTSA-N 2 0 334.261 3.024 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCCC1 ZINC000968782268 1336048716 /nfs/dbraw/zinc/04/87/16/1336048716.db2.gz UWJSSETVBNQPQG-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC=C(C)C)CC[N@@H+]1C ZINC000968866169 1336072264 /nfs/dbraw/zinc/07/22/64/1336072264.db2.gz CKHJHVQQBMEMEH-GBESFXJTSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990512 1336112575 /nfs/dbraw/zinc/11/25/75/1336112575.db2.gz FWQZTCQYFWHVHX-OALUTQOASA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002665 1336115499 /nfs/dbraw/zinc/11/54/99/1336115499.db2.gz ZMKMMVQWPDIKGM-GBESFXJTSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC000969013964 1336118636 /nfs/dbraw/zinc/11/86/36/1336118636.db2.gz LKBDYZFSDWLJMH-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCCC2CCCC2)C1 ZINC000969144826 1336161007 /nfs/dbraw/zinc/16/10/07/1336161007.db2.gz UUQUSHZRFQTVDF-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2=CCCCC2)C1 ZINC000969144608 1336161193 /nfs/dbraw/zinc/16/11/93/1336161193.db2.gz PNWAXGJGZNUQNS-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)ccc2c[nH+]cn21 ZINC000969157224 1336166048 /nfs/dbraw/zinc/16/60/48/1336166048.db2.gz SSCFVGDKRIUMTR-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000969156383 1336166056 /nfs/dbraw/zinc/16/60/56/1336166056.db2.gz RKCBZCZQCJJUJV-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC000969212031 1336178081 /nfs/dbraw/zinc/17/80/81/1336178081.db2.gz SLQDZABPDOCPKX-QFBILLFUSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC000969564019 1336224623 /nfs/dbraw/zinc/22/46/23/1336224623.db2.gz JZKHZLAOAQMUDC-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969794716 1336248142 /nfs/dbraw/zinc/24/81/42/1336248142.db2.gz ZKRJOKHLWGIOJP-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326285 1336294745 /nfs/dbraw/zinc/29/47/45/1336294745.db2.gz PNGIUSJYSSJMDP-FXAWDEMLSA-N 2 0 347.547 3.186 20 0 EGADRP CN(C(=O)c1sccc1C[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001005474459 1336357515 /nfs/dbraw/zinc/35/75/15/1336357515.db2.gz HPYCGVWWSZCAMP-UHFFFAOYSA-N 2 0 349.544 3.146 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005474243 1336357716 /nfs/dbraw/zinc/35/77/16/1336357716.db2.gz AQPMNXVRCVGDHZ-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006001432 1336436242 /nfs/dbraw/zinc/43/62/42/1336436242.db2.gz NUCYYWYLTZWEFM-FXAWDEMLSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1)[NH+]1CCCCCC1 ZINC001006083360 1336449370 /nfs/dbraw/zinc/44/93/70/1336449370.db2.gz DHBFRBXYADVCGX-XBMUEBEBSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001006120386 1336454817 /nfs/dbraw/zinc/45/48/17/1336454817.db2.gz QNHFUMZDFWRLTQ-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006121045 1336455126 /nfs/dbraw/zinc/45/51/26/1336455126.db2.gz UWCLKIXSCPLTGC-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006293187 1336484785 /nfs/dbraw/zinc/48/47/85/1336484785.db2.gz XOAAIHLYZXYPSV-MJGOQNOKSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006441094 1336506533 /nfs/dbraw/zinc/50/65/33/1336506533.db2.gz BXYONRXHCFHKFT-IRXDYDNUSA-N 2 0 337.552 3.218 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001006442563 1336506726 /nfs/dbraw/zinc/50/67/26/1336506726.db2.gz JGFAIWHUJOQKBF-IZZDOVSWSA-N 2 0 349.906 3.037 20 0 EGADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCc1ccc(Br)cc1 ZINC001205902818 1370904685 /nfs/dbraw/zinc/90/46/85/1370904685.db2.gz LWKKRJGRWMIKOW-DZGCQCFKSA-N 2 0 325.294 3.441 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007458167 1336651033 /nfs/dbraw/zinc/65/10/33/1336651033.db2.gz VLPXXXXTEAUBTB-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001007495478 1336657509 /nfs/dbraw/zinc/65/75/09/1336657509.db2.gz JURMWEVMCOHUIP-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001007500320 1336658383 /nfs/dbraw/zinc/65/83/83/1336658383.db2.gz RXZCXBVWPQWUQS-ZWKOTPCHSA-N 2 0 349.544 3.092 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001007721971 1336690871 /nfs/dbraw/zinc/69/08/71/1336690871.db2.gz DCZBTMWJIDULTC-INIZCTEOSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007746680 1336693618 /nfs/dbraw/zinc/69/36/18/1336693618.db2.gz NZXIYTNNHVQTKQ-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001008267634 1336810453 /nfs/dbraw/zinc/81/04/53/1336810453.db2.gz BUKKPZFOLWKCMI-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008274817 1336811606 /nfs/dbraw/zinc/81/16/06/1336811606.db2.gz GMMFSUBYBJIMJW-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001008277206 1336812826 /nfs/dbraw/zinc/81/28/26/1336812826.db2.gz MWTHRVZBORRCBA-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008297159 1336817503 /nfs/dbraw/zinc/81/75/03/1336817503.db2.gz BVKZZZONDZJVRL-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001205996108 1370932951 /nfs/dbraw/zinc/93/29/51/1370932951.db2.gz UURPDAHKVCRVMK-JSGCOSHPSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001008531863 1336876375 /nfs/dbraw/zinc/87/63/75/1336876375.db2.gz MPOKEIQGMZLDCX-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001008534235 1336877348 /nfs/dbraw/zinc/87/73/48/1336877348.db2.gz WFDCQYDGZAMZKV-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001008763764 1336922660 /nfs/dbraw/zinc/92/26/60/1336922660.db2.gz ANXRLFKQTCSWSN-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001009631355 1337049236 /nfs/dbraw/zinc/04/92/36/1337049236.db2.gz AZRXDDMSSQPRNO-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434469 1337777070 /nfs/dbraw/zinc/77/70/70/1337777070.db2.gz MJRMGJFTPKLFMK-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015053818 1338003355 /nfs/dbraw/zinc/00/33/55/1338003355.db2.gz STYISNAXEQCSPX-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015056103 1338004293 /nfs/dbraw/zinc/00/42/93/1338004293.db2.gz GOURKUSYQLKSHS-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015110539 1338022947 /nfs/dbraw/zinc/02/29/47/1338022947.db2.gz UXHFEBBLJFVQPF-AZUAARDMSA-N 2 0 348.450 3.290 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015291385 1338086795 /nfs/dbraw/zinc/08/67/95/1338086795.db2.gz QZXBFCHMVRHTLW-LPHOPBHVSA-N 2 0 348.450 3.208 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001015704576 1338269247 /nfs/dbraw/zinc/26/92/47/1338269247.db2.gz CZBXFBZGZBUYGC-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015795420 1338314668 /nfs/dbraw/zinc/31/46/68/1338314668.db2.gz OYLLIOJCAXURRA-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001016339911 1338555953 /nfs/dbraw/zinc/55/59/53/1338555953.db2.gz SFXFAZQTTUYLJE-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662558 1338683180 /nfs/dbraw/zinc/68/31/80/1338683180.db2.gz KRHMAYVYSYZDMT-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016689248 1338691479 /nfs/dbraw/zinc/69/14/79/1338691479.db2.gz XKPOYLVAEIWSDK-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788525 1338727624 /nfs/dbraw/zinc/72/76/24/1338727624.db2.gz ZPPTZAYYRVKTRU-MOPGFXCFSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016904831 1338764983 /nfs/dbraw/zinc/76/49/83/1338764983.db2.gz DYRPSUQNNNSMBX-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017129110 1338884918 /nfs/dbraw/zinc/88/49/18/1338884918.db2.gz XVQMKPOVMWYCMY-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001017181177 1338925368 /nfs/dbraw/zinc/92/53/68/1338925368.db2.gz YHVBOWJOZIYCAE-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001017194196 1338939443 /nfs/dbraw/zinc/93/94/43/1338939443.db2.gz QYCQMAHDHVNYIJ-AZUAARDMSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)[NH+](C)C ZINC001017202473 1338947682 /nfs/dbraw/zinc/94/76/82/1338947682.db2.gz XTCHGMUALLQFNI-VQTJNVASSA-N 2 0 349.563 3.243 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(C)c2)C1)[NH+](C)C ZINC001017213421 1338957927 /nfs/dbraw/zinc/95/79/27/1338957927.db2.gz SKRXGXDWHGUGAJ-PMACEKPBSA-N 2 0 345.531 3.006 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017228932 1338967310 /nfs/dbraw/zinc/96/73/10/1338967310.db2.gz UDBRAOVHRHHUDS-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CCCC)C2 ZINC001018166096 1339520043 /nfs/dbraw/zinc/52/00/43/1339520043.db2.gz PQCBFWVBZMMRKG-CEXWTWQISA-N 2 0 335.536 3.116 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001018873203 1339741076 /nfs/dbraw/zinc/74/10/76/1339741076.db2.gz OJUMBWZVSPZDEE-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001028098842 1340425006 /nfs/dbraw/zinc/42/50/06/1340425006.db2.gz WGAVTNDZUUBFFC-IHPCNDPISA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137307 1340450119 /nfs/dbraw/zinc/45/01/19/1340450119.db2.gz ISADMYKYJYWUJJ-FXAWDEMLSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001028180754 1340471174 /nfs/dbraw/zinc/47/11/74/1340471174.db2.gz FJULJMSYPKZYCK-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001028235248 1340497530 /nfs/dbraw/zinc/49/75/30/1340497530.db2.gz SPUSKGXVSUTAEI-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCC2CC2)o1 ZINC001028343521 1340583397 /nfs/dbraw/zinc/58/33/97/1340583397.db2.gz ONOUEHWQCBMEKK-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP O=C(NC[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001028594640 1340719734 /nfs/dbraw/zinc/71/97/34/1340719734.db2.gz JKPWZLBHLQQMDU-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NC[C@H]1CC[N@H+](CC2CCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028756059 1340791249 /nfs/dbraw/zinc/79/12/49/1340791249.db2.gz ZTDYNBQMGVHABO-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001028755563 1340791600 /nfs/dbraw/zinc/79/16/00/1340791600.db2.gz RZWDPELUZFCIGJ-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755241 1340791994 /nfs/dbraw/zinc/79/19/94/1340791994.db2.gz JTENJLQYQKFKNI-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001028757963 1340793338 /nfs/dbraw/zinc/79/33/38/1340793338.db2.gz CIOVSEZKPVMPMP-UXHICEINSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001029111540 1340932374 /nfs/dbraw/zinc/93/23/74/1340932374.db2.gz JVLVNMUGYVKRJS-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001029115467 1340933814 /nfs/dbraw/zinc/93/38/14/1340933814.db2.gz DNYXKWUKEDGHQV-KRWDZBQOSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029154794 1340944742 /nfs/dbraw/zinc/94/47/42/1340944742.db2.gz PRZKTMKOZNKLFK-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001029164795 1340946521 /nfs/dbraw/zinc/94/65/21/1340946521.db2.gz QJOKXYXFLBZXNT-UWJYYQICSA-N 2 0 345.531 3.089 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001029169178 1340947553 /nfs/dbraw/zinc/94/75/53/1340947553.db2.gz BZBQQJBBLPHUPE-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1)[NH+]1CCCC1 ZINC001029173606 1340948668 /nfs/dbraw/zinc/94/86/68/1340948668.db2.gz SMLMQXDCYKVFOA-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029306041 1340969705 /nfs/dbraw/zinc/96/97/05/1340969705.db2.gz FFLMWPLKGYKHJG-ZCNNSNEGSA-N 2 0 345.531 3.035 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001029339182 1340974020 /nfs/dbraw/zinc/97/40/20/1340974020.db2.gz TUWVMFHDOXBWAQ-AQNXPRMDSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029595597 1341018589 /nfs/dbraw/zinc/01/85/89/1341018589.db2.gz NFQUVUHHOJFSKU-LFGUQSLTSA-N 2 0 347.547 3.115 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029759067 1341064498 /nfs/dbraw/zinc/06/44/98/1341064498.db2.gz KPLWBSQEBZNFEU-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CC3CCCC3)C2)CC1 ZINC001029880785 1341102571 /nfs/dbraw/zinc/10/25/71/1341102571.db2.gz MBQGQLRPFDQBOW-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)[C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001029972623 1341139605 /nfs/dbraw/zinc/13/96/05/1341139605.db2.gz KYJNCBKHQGSQTA-FXAWDEMLSA-N 2 0 345.531 3.258 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001030956091 1341255604 /nfs/dbraw/zinc/25/56/04/1341255604.db2.gz SACPFOHDGRLXFN-AOCRQIFASA-N 2 0 349.563 3.124 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730546 1341394584 /nfs/dbraw/zinc/39/45/84/1341394584.db2.gz QODJAAUEJMHZHE-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001031917105 1341421630 /nfs/dbraw/zinc/42/16/30/1341421630.db2.gz NSELXACQTOZYSW-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1)[NH+]1CCCCCC1 ZINC001032664546 1341576050 /nfs/dbraw/zinc/57/60/50/1341576050.db2.gz HJOPLDCJVGSOKB-IHPCNDPISA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033070970 1341715527 /nfs/dbraw/zinc/71/55/27/1341715527.db2.gz UVJJJTAMCTXZJH-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033074494 1341716249 /nfs/dbraw/zinc/71/62/49/1341716249.db2.gz ANZKAMULRIKZFM-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033350362 1341791547 /nfs/dbraw/zinc/79/15/47/1341791547.db2.gz AGOPPUQMPHIRJR-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365136 1341797196 /nfs/dbraw/zinc/79/71/96/1341797196.db2.gz LIFFCENVDVSCPD-RTBURBONSA-N 2 0 335.536 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033686694 1341951953 /nfs/dbraw/zinc/95/19/53/1341951953.db2.gz RLYPZLQAMRTORH-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699746 1341966451 /nfs/dbraw/zinc/96/64/51/1341966451.db2.gz PQXDBONNXDIMGS-IAGOWNOFSA-N 2 0 349.519 3.314 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033826369 1342027761 /nfs/dbraw/zinc/02/77/61/1342027761.db2.gz OXQUXPNRLGXGSC-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001033834293 1342033961 /nfs/dbraw/zinc/03/39/61/1342033961.db2.gz FLGMVQSPGAZRJH-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033836093 1342034895 /nfs/dbraw/zinc/03/48/95/1342034895.db2.gz LFIQQYFQJBBCER-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033836095 1342035000 /nfs/dbraw/zinc/03/50/00/1342035000.db2.gz LFIQQYFQJBBCER-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033880662 1342057354 /nfs/dbraw/zinc/05/73/54/1342057354.db2.gz YUBGYOOCAVFONL-CRAIPNDOSA-N 2 0 342.487 3.225 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033897897 1342069335 /nfs/dbraw/zinc/06/93/35/1342069335.db2.gz NIHBJSGDPZHGKN-IBGZPJMESA-N 2 0 340.471 3.061 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033941884 1342103296 /nfs/dbraw/zinc/10/32/96/1342103296.db2.gz UIDWMYBVXUCDIJ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034248432 1342346180 /nfs/dbraw/zinc/34/61/80/1342346180.db2.gz CAACQJCWVOKECY-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001034370003 1342439526 /nfs/dbraw/zinc/43/95/26/1342439526.db2.gz ITRSRDYKYPORCD-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001034430414 1342492155 /nfs/dbraw/zinc/49/21/55/1342492155.db2.gz DXRAIUMAORNQMT-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001034437034 1342498765 /nfs/dbraw/zinc/49/87/65/1342498765.db2.gz CUNKFBDUOXWBMS-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CC3CCC3)C2)cc1 ZINC001034443880 1342504004 /nfs/dbraw/zinc/50/40/04/1342504004.db2.gz ASFKHVJZBIBZPR-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034528752 1342586061 /nfs/dbraw/zinc/58/60/61/1342586061.db2.gz QECWYYIIZIVZHV-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001034643686 1342668125 /nfs/dbraw/zinc/66/81/25/1342668125.db2.gz FDHDNBLNQGWYBU-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001034663210 1342677419 /nfs/dbraw/zinc/67/74/19/1342677419.db2.gz PSMJMLFGZUDLNY-BJLQDIEVSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034662377 1342677481 /nfs/dbraw/zinc/67/74/81/1342677481.db2.gz GJHLVGPLJXKONS-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034714383 1342710399 /nfs/dbraw/zinc/71/03/99/1342710399.db2.gz ATPVKGWNORHXAE-QWFCFKBJSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736774 1342729310 /nfs/dbraw/zinc/72/93/10/1342729310.db2.gz BVCUCQKKXDSIDS-VBSBHUPXSA-N 2 0 347.547 3.092 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034776413 1342754195 /nfs/dbraw/zinc/75/41/95/1342754195.db2.gz SGXWLEHPVMKTCX-LWYYNNOASA-N 2 0 349.563 3.314 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034795071 1342761685 /nfs/dbraw/zinc/76/16/85/1342761685.db2.gz USCHMUKHHCIMOJ-WGSAOQKQSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034795826 1342762356 /nfs/dbraw/zinc/76/23/56/1342762356.db2.gz UQLKSHBVKUJTSB-BZSNNMDCSA-N 2 0 349.544 3.140 20 0 EGADRP O=C(NCc1ccc(C[NH2+]CC2CCC2)cc1)c1ccn2c[nH+]cc2c1 ZINC001034819719 1342782301 /nfs/dbraw/zinc/78/23/01/1342782301.db2.gz ZNUAAYWHYIGQEP-UHFFFAOYSA-N 2 0 348.450 3.154 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001035022651 1342882201 /nfs/dbraw/zinc/88/22/01/1342882201.db2.gz IIPCWMIKVBRQKL-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001035091678 1342921384 /nfs/dbraw/zinc/92/13/84/1342921384.db2.gz IPMVIJYBVDXEMY-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209614444 1372151521 /nfs/dbraw/zinc/15/15/21/1372151521.db2.gz OZVRGELEXJLCEA-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193997 1343007315 /nfs/dbraw/zinc/00/73/15/1343007315.db2.gz RYKIQKZLSSRXQG-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193523 1343007602 /nfs/dbraw/zinc/00/76/02/1343007602.db2.gz FJDADPXURVPGEL-LJQANCHMSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035196830 1343009177 /nfs/dbraw/zinc/00/91/77/1343009177.db2.gz DPNAGRLRIHDUAS-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1)[NH+](C)C ZINC001035196933 1343010886 /nfs/dbraw/zinc/01/08/86/1343010886.db2.gz HGHTUQQCOYRIRW-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035259682 1343086726 /nfs/dbraw/zinc/08/67/26/1343086726.db2.gz CMNTZJIMRZYKMH-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035772460 1343184759 /nfs/dbraw/zinc/18/47/59/1343184759.db2.gz BZDNHSJRZZDDSF-IBGZPJMESA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810881 1343210751 /nfs/dbraw/zinc/21/07/51/1343210751.db2.gz UIRYZFNVNRBTOE-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036097009 1343311914 /nfs/dbraw/zinc/31/19/14/1343311914.db2.gz QXBYLQIYSFPLJR-LPHOPBHVSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001036159241 1343336350 /nfs/dbraw/zinc/33/63/50/1343336350.db2.gz FSBXLWHEYNCCBL-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036201163 1343360550 /nfs/dbraw/zinc/36/05/50/1343360550.db2.gz BZLBVFNFPTUTFZ-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H](C)C2)CC1 ZINC001036227184 1343369395 /nfs/dbraw/zinc/36/93/95/1343369395.db2.gz WGQUMXSHRBPAGE-ICSRJNTNSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036309931 1343412137 /nfs/dbraw/zinc/41/21/37/1343412137.db2.gz HVIHGYLEAIQJIL-ICSRJNTNSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036312272 1343413515 /nfs/dbraw/zinc/41/35/15/1343413515.db2.gz STBWMZRFPSUJMM-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001036429564 1343482421 /nfs/dbraw/zinc/48/24/21/1343482421.db2.gz HRGJIBAOTOMALT-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001037089265 1343973769 /nfs/dbraw/zinc/97/37/69/1343973769.db2.gz XKRBKIJUNUASNF-VQTJNVASSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037861356 1344146484 /nfs/dbraw/zinc/14/64/84/1344146484.db2.gz QXZIMVCYFTXOQI-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037951593 1344199821 /nfs/dbraw/zinc/19/98/21/1344199821.db2.gz SRPVGENBCFIMPD-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038777804 1344581438 /nfs/dbraw/zinc/58/14/38/1344581438.db2.gz CFMGRYQZJBATGM-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039136967 1344815829 /nfs/dbraw/zinc/81/58/29/1344815829.db2.gz LEVHQOVWEZTBQA-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039166855 1344852776 /nfs/dbraw/zinc/85/27/76/1344852776.db2.gz GOESQJNDKFSDLQ-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039226309 1344944242 /nfs/dbraw/zinc/94/42/42/1344944242.db2.gz WEDBGZFEMFPTPO-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241781 1344967911 /nfs/dbraw/zinc/96/79/11/1344967911.db2.gz IIWPGSWOIOZVCT-WOJBJXKFSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001039492395 1345112270 /nfs/dbraw/zinc/11/22/70/1345112270.db2.gz KXGDKVQVACYMHR-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282988 1345410385 /nfs/dbraw/zinc/41/03/85/1345410385.db2.gz YSEZCLBYXKDIJG-FQEVSTJZSA-N 2 0 340.471 3.063 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040545820 1345540138 /nfs/dbraw/zinc/54/01/38/1345540138.db2.gz VDPNZMSPYICEHF-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726109 1345571338 /nfs/dbraw/zinc/57/13/38/1345571338.db2.gz IUUVSONDWYMCQH-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733280 1345572385 /nfs/dbraw/zinc/57/23/85/1345572385.db2.gz RFIJMCPOHWAXGH-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001041378089 1345712791 /nfs/dbraw/zinc/71/27/91/1345712791.db2.gz GZTUKALBZIRVMC-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726514 1345833584 /nfs/dbraw/zinc/83/35/84/1345833584.db2.gz ZNWXXCTVWLXZJQ-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769409 1345844016 /nfs/dbraw/zinc/84/40/16/1345844016.db2.gz OMCOTIXGZWRAJZ-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782022 1345847947 /nfs/dbraw/zinc/84/79/47/1345847947.db2.gz OSRZWEJIDXTYFI-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782021 1345847978 /nfs/dbraw/zinc/84/79/78/1345847978.db2.gz OSRZWEJIDXTYFI-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845930 1345871621 /nfs/dbraw/zinc/87/16/21/1345871621.db2.gz SJVNWCNKUOKIJT-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042254251 1346007057 /nfs/dbraw/zinc/00/70/57/1346007057.db2.gz JOOODYQSCWDYJO-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268259 1346013436 /nfs/dbraw/zinc/01/34/36/1346013436.db2.gz BMEBVPGWQUIADO-UYAOXDASSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044333585 1346300559 /nfs/dbraw/zinc/30/05/59/1346300559.db2.gz WXLFOCUWTPSJHU-QZTJIDSGSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044726812 1346412954 /nfs/dbraw/zinc/41/29/54/1346412954.db2.gz CFOOHIIKCCFWEO-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044733036 1346415621 /nfs/dbraw/zinc/41/56/21/1346415621.db2.gz PLRUDIWMCSANQH-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044745778 1346418964 /nfs/dbraw/zinc/41/89/64/1346418964.db2.gz ZQZVRRPHELHEII-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001044778531 1346426730 /nfs/dbraw/zinc/42/67/30/1346426730.db2.gz ZIUXDRQOHLTVIE-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857657 1346446882 /nfs/dbraw/zinc/44/68/82/1346446882.db2.gz MJLUTXIKTZCPLQ-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045061140 1346488247 /nfs/dbraw/zinc/48/82/47/1346488247.db2.gz UDLVARYFZDQDAT-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[C@H]2CCC[N@H+]2C)cs1 ZINC001045076296 1346490412 /nfs/dbraw/zinc/49/04/12/1346490412.db2.gz RBBRQRWKPLXOHM-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001045390145 1346580567 /nfs/dbraw/zinc/58/05/67/1346580567.db2.gz ORVNDXCNNRCYBH-RTBURBONSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001045390143 1346580669 /nfs/dbraw/zinc/58/06/69/1346580669.db2.gz ORVNDXCNNRCYBH-RBUKOAKNSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045489274 1346607272 /nfs/dbraw/zinc/60/72/72/1346607272.db2.gz LOFSQPSYPHBFDC-UHFFFAOYSA-N 2 0 340.471 3.193 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001045732157 1346681749 /nfs/dbraw/zinc/68/17/49/1346681749.db2.gz PWIMFIVTEQCZIA-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001045858253 1346723260 /nfs/dbraw/zinc/72/32/60/1346723260.db2.gz GMYWPRVYHUZROJ-SXLOBPIMSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943494 1346779189 /nfs/dbraw/zinc/77/91/89/1346779189.db2.gz JIWDLAUUAWEQBF-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001045949747 1346785075 /nfs/dbraw/zinc/78/50/75/1346785075.db2.gz ONMZFDVRQADTEC-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001045985579 1346826369 /nfs/dbraw/zinc/82/63/69/1346826369.db2.gz XBLNKGOPLQLYOJ-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046368449 1346952158 /nfs/dbraw/zinc/95/21/58/1346952158.db2.gz CHGLKZGSSSEBIB-TZIWHRDSSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001046453712 1346980181 /nfs/dbraw/zinc/98/01/81/1346980181.db2.gz IZADBMXFCDUDQC-OAQYLSRUSA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047225663 1347256817 /nfs/dbraw/zinc/25/68/17/1347256817.db2.gz GYLCCQZNBYKUHB-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047243283 1347269412 /nfs/dbraw/zinc/26/94/12/1347269412.db2.gz JINRVEWBVUSDFQ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047244093 1347270120 /nfs/dbraw/zinc/27/01/20/1347270120.db2.gz PLSNZCKFSVPRJW-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047255426 1347279071 /nfs/dbraw/zinc/27/90/71/1347279071.db2.gz ZPFIGLNEYBFYBQ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001047263122 1347284052 /nfs/dbraw/zinc/28/40/52/1347284052.db2.gz ZPLZBHBCTCIEKI-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047843674 1347386815 /nfs/dbraw/zinc/38/68/15/1347386815.db2.gz JSOCWTNRVXDHOR-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079698378 1357350889 /nfs/dbraw/zinc/35/08/89/1357350889.db2.gz ZGJZSSOASPRDJY-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047923919 1347411408 /nfs/dbraw/zinc/41/14/08/1347411408.db2.gz JQWXRBHPSUYFPF-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047961221 1347425250 /nfs/dbraw/zinc/42/52/50/1347425250.db2.gz ZFRJUIHDUWAZRG-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001048005676 1347438614 /nfs/dbraw/zinc/43/86/14/1347438614.db2.gz DIIXGVGZTJNYTO-QUCCMNQESA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001048282327 1347509244 /nfs/dbraw/zinc/50/92/44/1347509244.db2.gz ZXKGNOSPVISHLE-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048480870 1347562376 /nfs/dbraw/zinc/56/23/76/1347562376.db2.gz WLJPEPMIUBADNO-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)CC[N@@H+]1C ZINC001048529430 1347579070 /nfs/dbraw/zinc/57/90/70/1347579070.db2.gz POPOYBXZAPDYRH-LJDSDSDDSA-N 2 0 349.563 3.122 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001048538471 1347583526 /nfs/dbraw/zinc/58/35/26/1347583526.db2.gz WFGMACOXCXVAAC-FCGDIQPGSA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001048607545 1347617179 /nfs/dbraw/zinc/61/71/79/1347617179.db2.gz WBYPRPBKFKUJQX-GUDVDZBRSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049165297 1347737661 /nfs/dbraw/zinc/73/76/61/1347737661.db2.gz LWNPFTQDXQYRRL-VNTMZGSJSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001049476181 1347867330 /nfs/dbraw/zinc/86/73/30/1347867330.db2.gz CSAHPJBURPPMBK-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533032 1347895021 /nfs/dbraw/zinc/89/50/21/1347895021.db2.gz LXFODVMGRSRKIJ-FHWLQOOXSA-N 2 0 337.552 3.074 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001049630616 1347943979 /nfs/dbraw/zinc/94/39/79/1347943979.db2.gz RPZTZXHBNKGCQJ-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049656096 1347958331 /nfs/dbraw/zinc/95/83/31/1347958331.db2.gz VKBXWNUTGJXCQM-AQNXPRMDSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049727563 1347991347 /nfs/dbraw/zinc/99/13/47/1347991347.db2.gz KEUHZGLOSNRYPS-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806979 1348028908 /nfs/dbraw/zinc/02/89/08/1348028908.db2.gz QIQFBDXDTBQXTD-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820648 1348037493 /nfs/dbraw/zinc/03/74/93/1348037493.db2.gz LPTJMHHISLIPEY-IHPCNDPISA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049922144 1348114086 /nfs/dbraw/zinc/11/40/86/1348114086.db2.gz YEIICCXGGUOYJS-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050325445 1348228183 /nfs/dbraw/zinc/22/81/83/1348228183.db2.gz DTAZRNYCPIWDRK-TZCBXBLLSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001050329289 1348228656 /nfs/dbraw/zinc/22/86/56/1348228656.db2.gz RGYTZOBPUHDSOX-VBSBHUPXSA-N 2 0 349.563 3.172 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050550265 1348287872 /nfs/dbraw/zinc/28/78/72/1348287872.db2.gz JFXHVQVXUGMKKB-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050577467 1348292818 /nfs/dbraw/zinc/29/28/18/1348292818.db2.gz QUZBEJXUYHOLFW-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001050688126 1348327618 /nfs/dbraw/zinc/32/76/18/1348327618.db2.gz WMMUANFNJCOOLU-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CC2)CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001052447375 1348543885 /nfs/dbraw/zinc/54/38/85/1348543885.db2.gz CUEKYQKOUXTPLM-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052498671 1348559633 /nfs/dbraw/zinc/55/96/33/1348559633.db2.gz JFFHMTUUEXANDW-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052711896 1348644746 /nfs/dbraw/zinc/64/47/46/1348644746.db2.gz ATNZUSPKBYAWRO-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052713543 1348645948 /nfs/dbraw/zinc/64/59/48/1348645948.db2.gz ZQJJYDKWYNCXCQ-QUCCMNQESA-N 2 0 347.547 3.189 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001052717763 1348647033 /nfs/dbraw/zinc/64/70/33/1348647033.db2.gz ZDZJXJAOKDKPEP-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)CC1 ZINC001052767166 1348671093 /nfs/dbraw/zinc/67/10/93/1348671093.db2.gz SYDBPPVERYSWFR-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837772 1348695727 /nfs/dbraw/zinc/69/57/27/1348695727.db2.gz VUIUKUCOQCILRX-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953713 1348768721 /nfs/dbraw/zinc/76/87/21/1348768721.db2.gz GQRFZYWVWQKVAE-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052955579 1348769563 /nfs/dbraw/zinc/76/95/63/1348769563.db2.gz HPLMZCNCXQHXPE-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052959882 1348772826 /nfs/dbraw/zinc/77/28/26/1348772826.db2.gz ZNMSWKRTUPGAHX-ZWKOTPCHSA-N 2 0 349.494 3.081 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC3CC3)CC2)o1 ZINC001052967394 1348778618 /nfs/dbraw/zinc/77/86/18/1348778618.db2.gz HGMICIKHNHUGPV-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052983778 1348788867 /nfs/dbraw/zinc/78/88/67/1348788867.db2.gz FCFAGOJRNIQLJY-BGYRXZFFSA-N 2 0 347.547 3.138 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001053029104 1348828250 /nfs/dbraw/zinc/82/82/50/1348828250.db2.gz YNQGTNNCPTXINN-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046358 1348848580 /nfs/dbraw/zinc/84/85/80/1348848580.db2.gz JMWMHTDLLIDSHC-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105590 1348943542 /nfs/dbraw/zinc/94/35/42/1348943542.db2.gz PYDMZEMHILSREH-PMACEKPBSA-N 2 0 349.563 3.366 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054153479 1349157272 /nfs/dbraw/zinc/15/72/72/1349157272.db2.gz RMZHKRCBEUTBNA-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1)[NH+](C)C ZINC001054154991 1349157970 /nfs/dbraw/zinc/15/79/70/1349157970.db2.gz ZNRJFMFEKZDGAQ-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209050 1349210298 /nfs/dbraw/zinc/21/02/98/1349210298.db2.gz HHWAKQMHFCMHHA-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219129 1349216175 /nfs/dbraw/zinc/21/61/75/1349216175.db2.gz HRLZICCNDASHTL-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245204 1349238294 /nfs/dbraw/zinc/23/82/94/1349238294.db2.gz PSYANUNTUDZUDY-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1Cc2ccc(CNC(=O)c3ccccc3C[NH+](C)C)cc2C1 ZINC001054292481 1349298675 /nfs/dbraw/zinc/29/86/75/1349298675.db2.gz HJYRKQVMKQTNGZ-UHFFFAOYSA-N 2 0 337.467 3.014 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(Br)[nH]2)CC1 ZINC001232689896 1376503741 /nfs/dbraw/zinc/50/37/41/1376503741.db2.gz UPICVONMSQPXII-UHFFFAOYSA-N 2 0 328.298 3.329 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329515 1357574858 /nfs/dbraw/zinc/57/48/58/1357574858.db2.gz AYXDIIOFWAGQPK-LCLWPZTBSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554601 1357676871 /nfs/dbraw/zinc/67/68/71/1357676871.db2.gz XKNQSIBIZNEKJY-ZIFCJYIRSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(Br)no2)CC1 ZINC001173101935 1384914565 /nfs/dbraw/zinc/91/45/65/1384914565.db2.gz PUHNESJGJJISKJ-UHFFFAOYSA-N 2 0 330.270 3.180 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1=CCCCC1 ZINC001071646052 1354824206 /nfs/dbraw/zinc/82/42/06/1354824206.db2.gz RKLQYLOHNGOKQV-IEBWSBKVSA-N 2 0 345.531 3.084 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCCC1CCCC1 ZINC001071796671 1354941527 /nfs/dbraw/zinc/94/15/27/1354941527.db2.gz VNWUDWQRLFTNNI-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071897849 1355013045 /nfs/dbraw/zinc/01/30/45/1355013045.db2.gz QDQYRDOYQBNIKE-XLIONFOSSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCC1CCCCCC1 ZINC001072082380 1355119222 /nfs/dbraw/zinc/11/92/22/1355119222.db2.gz ZCPPPUSFZNWZPN-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)C2 ZINC001073116345 1355605696 /nfs/dbraw/zinc/60/56/96/1355605696.db2.gz LYLVQRDJPPMBPN-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001074060846 1356060902 /nfs/dbraw/zinc/06/09/02/1356060902.db2.gz XPFFUQIJDLDEDR-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001074685987 1356224503 /nfs/dbraw/zinc/22/45/03/1356224503.db2.gz DQIYWXNINTVRGS-WDSOQIARSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)c1ccccc1Cl ZINC001074803659 1356248041 /nfs/dbraw/zinc/24/80/41/1356248041.db2.gz JJKWNZGJPCUOFE-DFEHZGFQSA-N 2 0 349.906 3.074 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074826006 1356256688 /nfs/dbraw/zinc/25/66/88/1356256688.db2.gz QMZYEKWCWUDZBP-SXLOBPIMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C)c1ccccc1 ZINC001074831873 1356260005 /nfs/dbraw/zinc/26/00/05/1356260005.db2.gz FLOBILHJBFVZAC-VYMYIBDJSA-N 2 0 343.515 3.057 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)[C@@H]1C)[NH+](C)C ZINC001074885790 1356279433 /nfs/dbraw/zinc/27/94/33/1356279433.db2.gz XKNDRWXKGSJLDF-ZULIPRJHSA-N 2 0 345.531 3.284 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082612280 1358066195 /nfs/dbraw/zinc/06/61/95/1358066195.db2.gz FKVQUFOOIUHJKU-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001082782814 1358092527 /nfs/dbraw/zinc/09/25/27/1358092527.db2.gz QZQAMXFQEQZOKF-QWFCFKBJSA-N 2 0 347.547 3.188 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517291 1387316049 /nfs/dbraw/zinc/31/60/49/1387316049.db2.gz YWTOAWSLSYZYMD-QLUPPNIVSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001183562908 1387319266 /nfs/dbraw/zinc/31/92/66/1387319266.db2.gz MXGLVDQNAGEZOQ-WIYYLYMNSA-N 2 0 349.563 3.127 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001085275089 1358448568 /nfs/dbraw/zinc/44/85/68/1358448568.db2.gz NXSZNJLYFNRXMM-RTBURBONSA-N 2 0 340.471 3.155 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001085421836 1358495527 /nfs/dbraw/zinc/49/55/27/1358495527.db2.gz YMEQOHKMVMBFFL-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085639948 1358654026 /nfs/dbraw/zinc/65/40/26/1358654026.db2.gz ZDUPPXXBYSINJV-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCCC1CCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724221 1358713391 /nfs/dbraw/zinc/71/33/91/1358713391.db2.gz QLEMTWULBSTPAF-IBGZPJMESA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085855781 1358822891 /nfs/dbraw/zinc/82/28/91/1358822891.db2.gz JCIJMIOLANKSOW-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086084802 1358991776 /nfs/dbraw/zinc/99/17/76/1358991776.db2.gz GSGXMBDJKHNYJN-JYBIWHBTSA-N 2 0 343.515 3.105 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001086107191 1358999031 /nfs/dbraw/zinc/99/90/31/1358999031.db2.gz NPRFEDJDHWQZON-WSTZPKSXSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001086118449 1359001622 /nfs/dbraw/zinc/00/16/22/1359001622.db2.gz AGLVOUGKYLIKEH-WCIQWLHISA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086175356 1359015088 /nfs/dbraw/zinc/01/50/88/1359015088.db2.gz SMKGIDZKYFMUHZ-AQNXPRMDSA-N 2 0 347.547 3.093 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001086403161 1359088472 /nfs/dbraw/zinc/08/84/72/1359088472.db2.gz YFHLATGNBKQEMJ-QGZVKYPTSA-N 2 0 343.515 3.025 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001086402174 1359088790 /nfs/dbraw/zinc/08/87/90/1359088790.db2.gz KXYAILXAQHAKQJ-FHWLQOOXSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086454343 1359101556 /nfs/dbraw/zinc/10/15/56/1359101556.db2.gz GDEKEFBEQMKAEW-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086456107 1359102637 /nfs/dbraw/zinc/10/26/37/1359102637.db2.gz QYCSBMCYVCFCOC-BJLQDIEVSA-N 2 0 347.547 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086850015 1359213676 /nfs/dbraw/zinc/21/36/76/1359213676.db2.gz MCTGEZHLZVSYEC-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086882786 1359220538 /nfs/dbraw/zinc/22/05/38/1359220538.db2.gz MKJVHLFJMJNNPM-QXAKKESOSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086883134 1359220608 /nfs/dbraw/zinc/22/06/08/1359220608.db2.gz QCHCVONACUWFDU-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)CCCC[NH+](C)C ZINC001184059005 1387385093 /nfs/dbraw/zinc/38/50/93/1387385093.db2.gz PYEVNXCSFZJJAV-ICSRJNTNSA-N 2 0 345.531 3.087 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](CC(C)C)CC3)CC[N@@H+]1C ZINC001086924757 1359250339 /nfs/dbraw/zinc/25/03/39/1359250339.db2.gz BCFAJFRXUDOZSX-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942724 1359264174 /nfs/dbraw/zinc/26/41/74/1359264174.db2.gz YYDXXESQKRDKAO-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001087181125 1359314672 /nfs/dbraw/zinc/31/46/72/1359314672.db2.gz BKTABCXELNBPOY-LSTHTHJFSA-N 2 0 345.531 3.052 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087306513 1359392721 /nfs/dbraw/zinc/39/27/21/1359392721.db2.gz JWRUFRSMBOCTBQ-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087312072 1359399702 /nfs/dbraw/zinc/39/97/02/1359399702.db2.gz YVSNRRXJWPWOSQ-QRVBRYPASA-N 2 0 349.563 3.122 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[N@@H+]1CC(C)C ZINC001087671988 1359582786 /nfs/dbraw/zinc/58/27/86/1359582786.db2.gz YURYKSSBKDUVSI-VQTJNVASSA-N 2 0 345.531 3.029 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839786 1359674218 /nfs/dbraw/zinc/67/42/18/1359674218.db2.gz UHUUFKDHDZUXJY-RBUKOAKNSA-N 2 0 331.504 3.131 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCC1CCCC1 ZINC001087840777 1359674850 /nfs/dbraw/zinc/67/48/50/1359674850.db2.gz NJFHGFVASJYTEV-ZCNNSNEGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087841020 1359674949 /nfs/dbraw/zinc/67/49/49/1359674949.db2.gz ZITPKBBRZOWNEV-IPMKNSEASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001323639042 1387414520 /nfs/dbraw/zinc/41/45/20/1387414520.db2.gz WRXQUCXXKQCABE-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088381634 1359864784 /nfs/dbraw/zinc/86/47/84/1359864784.db2.gz JEODMZPGRCCHDO-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088411745 1359882808 /nfs/dbraw/zinc/88/28/08/1359882808.db2.gz PADCZWZVPPVAJU-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001088431504 1359899185 /nfs/dbraw/zinc/89/91/85/1359899185.db2.gz YCZZJLBIEFLNNC-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCC1CCCCCC1 ZINC001088493507 1359941436 /nfs/dbraw/zinc/94/14/36/1359941436.db2.gz NMYXNPBJKOKABQ-NEWSRXKRSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088621514 1359993369 /nfs/dbraw/zinc/99/33/69/1359993369.db2.gz HJRJYEDBCNDMAJ-NEWSRXKRSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088620383 1359994417 /nfs/dbraw/zinc/99/44/17/1359994417.db2.gz HRPWKRHRKAAAAA-RLLQIKCJSA-N 2 0 347.547 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688380 1360013502 /nfs/dbraw/zinc/01/35/02/1360013502.db2.gz IHRLAQHOZSOIFR-BEFAXECRSA-N 2 0 342.487 3.272 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088898558 1360097226 /nfs/dbraw/zinc/09/72/26/1360097226.db2.gz KPGXGZCIRZRNOU-NEWSRXKRSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088898366 1360097592 /nfs/dbraw/zinc/09/75/92/1360097592.db2.gz BTWTZXKJTIPSAN-NEWSRXKRSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001089181269 1360230776 /nfs/dbraw/zinc/23/07/76/1360230776.db2.gz LBKPGMICPHGZQZ-ICSRJNTNSA-N 2 0 349.563 3.362 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[N@@H+](C)CC)o1 ZINC001089263263 1360291278 /nfs/dbraw/zinc/29/12/78/1360291278.db2.gz SHEONGPMDMEPFK-INIZCTEOSA-N 2 0 335.492 3.068 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334515 1360348063 /nfs/dbraw/zinc/34/80/63/1360348063.db2.gz IJNOFRIONIBDEU-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407084 1360405391 /nfs/dbraw/zinc/40/53/91/1360405391.db2.gz VUDPTZUVYYMBNT-PKOBYXMFSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089420866 1360414962 /nfs/dbraw/zinc/41/49/62/1360414962.db2.gz QETYJHWNWMNWEC-QZTJIDSGSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089431009 1360422936 /nfs/dbraw/zinc/42/29/36/1360422936.db2.gz WXOXVDFPUUTWKS-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565418 1360511959 /nfs/dbraw/zinc/51/19/59/1360511959.db2.gz RMXODRKCDKQBDE-GOSISDBHSA-N 2 0 345.531 3.377 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089565389 1360512397 /nfs/dbraw/zinc/51/23/97/1360512397.db2.gz QNZUUQQMNNXSCM-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649463 1360562931 /nfs/dbraw/zinc/56/29/31/1360562931.db2.gz JIFSYKWJUPZLHD-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC001323873531 1387485460 /nfs/dbraw/zinc/48/54/60/1387485460.db2.gz PGGBGTFCPXQYQG-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091026276 1360982165 /nfs/dbraw/zinc/98/21/65/1360982165.db2.gz LHCKXSQNHZZUQX-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001091064652 1360988204 /nfs/dbraw/zinc/98/82/04/1360988204.db2.gz LSRJNHBMKDEUSA-IOJLRTSASA-N 2 0 349.563 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC([NH2+]CCC3CC3)C2)o1 ZINC001091385285 1361073596 /nfs/dbraw/zinc/07/35/96/1361073596.db2.gz FEJZEMSZGRKOTD-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091666902 1361176137 /nfs/dbraw/zinc/17/61/37/1361176137.db2.gz KHXNEDYGIUIIGH-LQWHRVPQSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094430206 1361799184 /nfs/dbraw/zinc/79/91/84/1361799184.db2.gz HLIWAUMZTKOZAU-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094430262 1361799485 /nfs/dbraw/zinc/79/94/85/1361799485.db2.gz JCICGGCMJFQMQA-QKNQBKEWSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)[C@@H](C)C2)c(C)n1 ZINC001184852231 1387549519 /nfs/dbraw/zinc/54/95/19/1387549519.db2.gz UOSZTAXIXAMTFK-XNNRTHFOSA-N 2 0 349.906 3.447 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001184892844 1387556811 /nfs/dbraw/zinc/55/68/11/1387556811.db2.gz RZKXVOCFILPSCL-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001096313443 1362460670 /nfs/dbraw/zinc/46/06/70/1362460670.db2.gz GSZDOYSRXXTLEM-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096597466 1362591561 /nfs/dbraw/zinc/59/15/61/1362591561.db2.gz IBLADNTVRSDNKG-AABGKKOBSA-N 2 0 341.499 3.050 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001096887153 1362767769 /nfs/dbraw/zinc/76/77/69/1362767769.db2.gz AYMKGWBAUBNEOV-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001185032512 1387592438 /nfs/dbraw/zinc/59/24/38/1387592438.db2.gz ZPUGEHHLLOSYMA-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097075430 1362834247 /nfs/dbraw/zinc/83/42/47/1362834247.db2.gz UJRGEWYAZNOPPE-MLHJIOFPSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097405621 1362975028 /nfs/dbraw/zinc/97/50/28/1362975028.db2.gz OMGIWFMXAJJIHU-ZRNYENFQSA-N 2 0 347.547 3.019 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185054288 1387601585 /nfs/dbraw/zinc/60/15/85/1387601585.db2.gz YNUYQWGZPKPWSN-DLBZAZTESA-N 2 0 349.519 3.219 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(CC)CC)C1 ZINC001097694950 1363102935 /nfs/dbraw/zinc/10/29/35/1363102935.db2.gz LWZYZEVXKYRCBW-NMLBUPMWSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001098219671 1363258817 /nfs/dbraw/zinc/25/88/17/1363258817.db2.gz OQWHNKADJMJCKY-NMLBUPMWSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[C@H]([NH2+]CC)C2CCCC2)C1 ZINC001098822205 1363482663 /nfs/dbraw/zinc/48/26/63/1363482663.db2.gz XFFFNDYSGWQIEW-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168600 1387631936 /nfs/dbraw/zinc/63/19/36/1387631936.db2.gz HTOZSXCJPDJZNH-QZTJIDSGSA-N 2 0 339.568 3.085 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001099069608 1363606020 /nfs/dbraw/zinc/60/60/20/1363606020.db2.gz JOZJEPMDUUPXIE-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099166713 1363666889 /nfs/dbraw/zinc/66/68/89/1363666889.db2.gz ZDYQWUBUYXVPLA-SFHVURJKSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC1CCC1 ZINC001099215478 1363696312 /nfs/dbraw/zinc/69/63/12/1363696312.db2.gz VCJQWKZDXFPDSN-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099234532 1363705967 /nfs/dbraw/zinc/70/59/67/1363705967.db2.gz JUNHSJMREQBNBI-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)CC1 ZINC001099258926 1363720569 /nfs/dbraw/zinc/72/05/69/1363720569.db2.gz VXVKBYWOADSLIU-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001099269581 1363724554 /nfs/dbraw/zinc/72/45/54/1363724554.db2.gz AURXWPUEFQUUMQ-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)CC1 ZINC001099280347 1363729482 /nfs/dbraw/zinc/72/94/82/1363729482.db2.gz FUMVBPHXWVXOBQ-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099310401 1363742771 /nfs/dbraw/zinc/74/27/71/1363742771.db2.gz LCGQCCCLZSDXIF-OOFWQKGWSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099311282 1363744961 /nfs/dbraw/zinc/74/49/61/1363744961.db2.gz ZNSGCZFUDJMMIM-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001099324359 1363750997 /nfs/dbraw/zinc/75/09/97/1363750997.db2.gz KWDUVXZANUELNX-KRWDZBQOSA-N 2 0 348.535 3.448 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339044 1363759035 /nfs/dbraw/zinc/75/90/35/1363759035.db2.gz CUPFOVBLUPKZPB-QWNKOJSDSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001185248462 1387659715 /nfs/dbraw/zinc/65/97/15/1387659715.db2.gz GREMHCTYPPQQDJ-FXAWDEMLSA-N 2 0 345.531 3.403 20 0 EGADRP C[N@H+](CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001100410794 1364105125 /nfs/dbraw/zinc/10/51/25/1364105125.db2.gz NMICQTXMTXSUQU-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100535946 1364150723 /nfs/dbraw/zinc/15/07/23/1364150723.db2.gz CNWGUDABHCJJIJ-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001100637530 1364199253 /nfs/dbraw/zinc/19/92/53/1364199253.db2.gz WHOHLHCVOBPQPO-VXESANQCSA-N 2 0 345.531 3.307 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729724 1364238491 /nfs/dbraw/zinc/23/84/91/1364238491.db2.gz LIEABWRZTWTKMM-JVSUKQCGSA-N 2 0 335.536 3.090 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100766229 1364251695 /nfs/dbraw/zinc/25/16/95/1364251695.db2.gz XSSIANKRHAMKIG-ACBHZAAOSA-N 2 0 339.568 3.418 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]C[C@@H](F)CC)C1 ZINC001100856738 1364294389 /nfs/dbraw/zinc/29/43/89/1364294389.db2.gz QOTZIOIGUACERN-ADKAHSJRSA-N 2 0 343.531 3.121 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2c(C)cccc2C)C1 ZINC001100897021 1364320073 /nfs/dbraw/zinc/32/00/73/1364320073.db2.gz YDWQXABDHIRMKT-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001101025003 1364379728 /nfs/dbraw/zinc/37/97/28/1364379728.db2.gz QJIVYOGUOCYEBL-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101024806 1364379768 /nfs/dbraw/zinc/37/97/68/1364379768.db2.gz HHNSSMIPWZUUGL-SNAWJCMRSA-N 2 0 335.536 3.093 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037467 1364383633 /nfs/dbraw/zinc/38/36/33/1364383633.db2.gz OGFXPDXAMVYZMX-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1 ZINC001101588270 1364638690 /nfs/dbraw/zinc/63/86/90/1364638690.db2.gz CUVAAINOXDKRPK-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2N2CCCC2)CC[NH+](C)CC1 ZINC001324623764 1387704861 /nfs/dbraw/zinc/70/48/61/1387704861.db2.gz SCJAHMXEGKDIJL-UHFFFAOYSA-N 2 0 333.545 3.204 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001102189967 1364924044 /nfs/dbraw/zinc/92/40/44/1364924044.db2.gz LIYQRAVVFOKKFN-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001102524540 1365097588 /nfs/dbraw/zinc/09/75/88/1365097588.db2.gz KPFRAHWVRIUVDL-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C[NH2+]C(C)C)[C@H](C)C1 ZINC001185472939 1387724406 /nfs/dbraw/zinc/72/44/06/1387724406.db2.gz YCEXVZDYBKUYKG-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C[NH2+]C(C)C)[C@@H](C)C1 ZINC001185472938 1387724663 /nfs/dbraw/zinc/72/46/63/1387724663.db2.gz YCEXVZDYBKUYKG-RBUKOAKNSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185546832 1387745164 /nfs/dbraw/zinc/74/51/64/1387745164.db2.gz DSHUDWUTNSAKDV-MOPGFXCFSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495428 1365597280 /nfs/dbraw/zinc/59/72/80/1365597280.db2.gz CALSPXBVUQXHCG-HSALFYBXSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388442 1365999093 /nfs/dbraw/zinc/99/90/93/1365999093.db2.gz YZDFWKZLVSKZJQ-SJLPKXTDSA-N 2 0 342.487 3.212 20 0 EGADRP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104641352 1366115499 /nfs/dbraw/zinc/11/54/99/1366115499.db2.gz MRHXNLFPZBKNDR-GUDVDZBRSA-N 2 0 339.568 3.083 20 0 EGADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001104676449 1366127490 /nfs/dbraw/zinc/12/74/90/1366127490.db2.gz KQHORQIQOWCYCQ-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104676743 1366127569 /nfs/dbraw/zinc/12/75/69/1366127569.db2.gz WAHMOKPEWFYTQP-QWFCFKBJSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104909083 1366219815 /nfs/dbraw/zinc/21/98/15/1366219815.db2.gz WOCWKOGFXJJQCC-PFRNKHFKSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105393568 1366441793 /nfs/dbraw/zinc/44/17/93/1366441793.db2.gz BDTYOJSJVNGKHV-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536628 1366516460 /nfs/dbraw/zinc/51/64/60/1366516460.db2.gz FOIOAQDVVHSXKB-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105558688 1366530170 /nfs/dbraw/zinc/53/01/70/1366530170.db2.gz DCPAVXOAMFZXDR-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561121 1366531119 /nfs/dbraw/zinc/53/11/19/1366531119.db2.gz HWJWRDMZJURHLH-VOFKWLDRSA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572320 1366538797 /nfs/dbraw/zinc/53/87/97/1366538797.db2.gz OGDMUGUCSRDRQO-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105574968 1366539939 /nfs/dbraw/zinc/53/99/39/1366539939.db2.gz NVXGQGLMMGVKFI-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)CCC1 ZINC001105578850 1366542508 /nfs/dbraw/zinc/54/25/08/1366542508.db2.gz HQADNZBRNSGAFK-LJQANCHMSA-N 2 0 349.563 3.413 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106339799 1366660767 /nfs/dbraw/zinc/66/07/67/1366660767.db2.gz AQUOSFXUIYVYGO-IAGOWNOFSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001106665169 1366768675 /nfs/dbraw/zinc/76/86/75/1366768675.db2.gz KIBUZNWSICUVEX-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673050 1366770137 /nfs/dbraw/zinc/77/01/37/1366770137.db2.gz QDOYNVBBBZKXBG-SJLPKXTDSA-N 2 0 339.568 3.085 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106998646 1366854908 /nfs/dbraw/zinc/85/49/08/1366854908.db2.gz OHZBNGMIMHBNDO-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410443 1366955744 /nfs/dbraw/zinc/95/57/44/1366955744.db2.gz CLCLDAVMVDBXGU-DLSAWSQDSA-N 2 0 347.547 3.044 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107412194 1366956599 /nfs/dbraw/zinc/95/65/99/1366956599.db2.gz NEFGIVNVPJBNJW-QEUVDIPISA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2)C1CCC1 ZINC001107439410 1366963734 /nfs/dbraw/zinc/96/37/34/1366963734.db2.gz ZXENJOVPBLRJJD-WIYYLYMNSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001189317198 1366987501 /nfs/dbraw/zinc/98/75/01/1366987501.db2.gz JRUCYHOZBDQONQ-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CC2)CC3)CCCC1 ZINC001107486774 1366987447 /nfs/dbraw/zinc/98/74/47/1366987447.db2.gz KFIIFXKLZMIVMT-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107494878 1366993755 /nfs/dbraw/zinc/99/37/55/1366993755.db2.gz DQVPVOFLSDFHMB-WAOWUJCRSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CC(C)C3)C[C@H]21 ZINC001189454564 1367026252 /nfs/dbraw/zinc/02/62/52/1367026252.db2.gz WHVHIXPFGQAKTG-GHBBCFCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109263718 1367033198 /nfs/dbraw/zinc/03/31/98/1367033198.db2.gz HGKBEZSLIUBUOL-CARIKJKMSA-N 2 0 347.547 3.327 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554030 1367039815 /nfs/dbraw/zinc/03/98/15/1367039815.db2.gz VMNWGXGJQBIVHI-OYCQEXPWSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109290020 1367040311 /nfs/dbraw/zinc/04/03/11/1367040311.db2.gz VCWRHQZFGLTXRB-QYZOEREBSA-N 2 0 349.563 3.409 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001107598674 1367064802 /nfs/dbraw/zinc/06/48/02/1367064802.db2.gz QGSAGMZEAVOIGM-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598610 1367065002 /nfs/dbraw/zinc/06/50/02/1367065002.db2.gz MUGFWFBXYFENAR-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107632927 1367083884 /nfs/dbraw/zinc/08/38/84/1367083884.db2.gz FWNUUAFOENLASY-YDWSFWPNSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001107632207 1367084826 /nfs/dbraw/zinc/08/48/26/1367084826.db2.gz WHAWLJJTFYTQNM-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646710 1367092455 /nfs/dbraw/zinc/09/24/55/1367092455.db2.gz RMIACBRQOLRQSX-KFHCLJRTSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001109417615 1367112156 /nfs/dbraw/zinc/11/21/56/1367112156.db2.gz HVICFXZEPHZQFZ-YRPNKDGESA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001109464074 1367137849 /nfs/dbraw/zinc/13/78/49/1367137849.db2.gz KIMRXHBTWWNNRJ-QYZOEREBSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485184 1367152473 /nfs/dbraw/zinc/15/24/73/1367152473.db2.gz OKEOPFJBPLBJOR-YRXWBPOGSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190084473 1367169001 /nfs/dbraw/zinc/16/90/01/1367169001.db2.gz NWDBJGXQSKTQRS-ZWKOTPCHSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178137 1367192499 /nfs/dbraw/zinc/19/24/99/1367192499.db2.gz TXOKFQSUZHUSDT-ICSRJNTNSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560824 1367198294 /nfs/dbraw/zinc/19/82/94/1367198294.db2.gz SWGKTUCBJZNCTC-AABGKKOBSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589853 1367215246 /nfs/dbraw/zinc/21/52/46/1367215246.db2.gz GVCJDYPOUCPJHP-YRXWBPOGSA-N 2 0 349.563 3.265 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186081833 1387862387 /nfs/dbraw/zinc/86/23/87/1387862387.db2.gz BHDUVIILAAMHTI-LXORQPIJSA-N 2 0 335.536 3.186 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001109714633 1367289652 /nfs/dbraw/zinc/28/96/52/1367289652.db2.gz QVOXUVVJRQRNAF-OWSLCNJRSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001109733522 1367295168 /nfs/dbraw/zinc/29/51/68/1367295168.db2.gz SOJKMZYORRGFDM-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001109856470 1367361016 /nfs/dbraw/zinc/36/10/16/1367361016.db2.gz NMYIMPNEGXCPLZ-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)C(C)C ZINC001109859975 1367363969 /nfs/dbraw/zinc/36/39/69/1367363969.db2.gz CYGJLNSFPSWVCM-FUMNGEBKSA-N 2 0 349.563 3.265 20 0 EGADRP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324979942 1387870081 /nfs/dbraw/zinc/87/00/81/1387870081.db2.gz ZKOLMROHURQFQG-NRFANRHFSA-N 2 0 345.531 3.380 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001109865412 1367371019 /nfs/dbraw/zinc/37/10/19/1367371019.db2.gz OJLRABUCYFMSOW-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007061 1367455906 /nfs/dbraw/zinc/45/59/06/1367455906.db2.gz HFSKLVZQNHPMPM-CXLYAGSJSA-N 2 0 335.536 3.186 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110015109 1367458869 /nfs/dbraw/zinc/45/88/69/1367458869.db2.gz ZHGICIXTNHYHIG-WYBNUAJGSA-N 2 0 335.536 3.186 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191350772 1367481970 /nfs/dbraw/zinc/48/19/70/1367481970.db2.gz BTWOKXBCBAXFIS-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351867 1367482458 /nfs/dbraw/zinc/48/24/58/1367482458.db2.gz NJUJJYOHIBWFHW-GOSISDBHSA-N 2 0 342.487 3.307 20 0 EGADRP C[NH+](CCC(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)C1CCCCC1 ZINC001191551517 1367526232 /nfs/dbraw/zinc/52/62/32/1367526232.db2.gz NHPKFHVBIKKWPX-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159602 1367531559 /nfs/dbraw/zinc/53/15/59/1367531559.db2.gz SODAOIOUDSKFMJ-HNJRGHQBSA-N 2 0 343.515 3.118 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108687664 1367533339 /nfs/dbraw/zinc/53/33/39/1367533339.db2.gz HPYZGWFAGHDXDY-FHWLQOOXSA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108702787 1367542894 /nfs/dbraw/zinc/54/28/94/1367542894.db2.gz BGMROAQYRSITIA-TYTUHHLSSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733945 1367565707 /nfs/dbraw/zinc/56/57/07/1367565707.db2.gz LTQAAFXCIMMTKE-SCTDSRPQSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108771683 1367587196 /nfs/dbraw/zinc/58/71/96/1367587196.db2.gz FAAIMTPPYKVNNN-ZCNNSNEGSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801051 1367603808 /nfs/dbraw/zinc/60/38/08/1367603808.db2.gz RFOGPBQWUUYCTA-OTWHNJEPSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834559 1367627312 /nfs/dbraw/zinc/62/73/12/1367627312.db2.gz TVAORJGZJJPLAL-UFYCRDLUSA-N 2 0 347.547 3.188 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001192047048 1367673646 /nfs/dbraw/zinc/67/36/46/1367673646.db2.gz QPDUZRBMLXUUGI-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001192191268 1367711533 /nfs/dbraw/zinc/71/15/33/1367711533.db2.gz XGAGMFRTCHFBEY-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192324511 1367752842 /nfs/dbraw/zinc/75/28/42/1367752842.db2.gz GSVJCQABTUDGDM-JQDPHBCOSA-N 2 0 337.552 3.386 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406066 1367774524 /nfs/dbraw/zinc/77/45/24/1367774524.db2.gz AAFQIHOYGQNENN-HKUYNNGSSA-N 2 0 345.531 3.258 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192844938 1367886912 /nfs/dbraw/zinc/88/69/12/1367886912.db2.gz COUCAVXJMSEBIN-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657897 1367901575 /nfs/dbraw/zinc/90/15/75/1367901575.db2.gz DIVXOTLZOHXPRJ-BWGAQWGUSA-N 2 0 347.547 3.042 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917017 1367903917 /nfs/dbraw/zinc/90/39/17/1367903917.db2.gz HRFYPOPQYNQBBM-QZTJIDSGSA-N 2 0 325.541 3.076 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916603 1367903766 /nfs/dbraw/zinc/90/37/66/1367903766.db2.gz ABDFNGFUKHMQNE-DYCGFVMMSA-N 2 0 337.552 3.242 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1)C(C)C ZINC001192923931 1367905709 /nfs/dbraw/zinc/90/57/09/1367905709.db2.gz QKTFWVHNCNTUGT-UXHICEINSA-N 2 0 349.563 3.386 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948645 1367910315 /nfs/dbraw/zinc/91/03/15/1367910315.db2.gz UUWUUVZOQRBUBA-RBUKOAKNSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748683 1367958903 /nfs/dbraw/zinc/95/89/03/1367958903.db2.gz OEWRGJOXTOCCSD-AITUJVMLSA-N 2 0 349.563 3.407 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001193423929 1368027670 /nfs/dbraw/zinc/02/76/70/1368027670.db2.gz HVSAIDKHSYZQQN-OALUTQOASA-N 2 0 339.568 3.467 20 0 EGADRP CC1CCC(C[N@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001193569301 1368063604 /nfs/dbraw/zinc/06/36/04/1368063604.db2.gz AJFCUZFKBJCQBC-CTWPCTMYSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001193571538 1368064141 /nfs/dbraw/zinc/06/41/41/1368064141.db2.gz TVZHHUZVTCDSBY-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C)CC(C)(C)C ZINC001111028584 1368145829 /nfs/dbraw/zinc/14/58/29/1368145829.db2.gz HPPAHLOKPDMDDW-ZACQAIPSSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025237 1368145888 /nfs/dbraw/zinc/14/58/88/1368145888.db2.gz SMEDIRIYDUKVJY-KURKYZTESA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001111037125 1368146820 /nfs/dbraw/zinc/14/68/20/1368146820.db2.gz LPLLLHYPUWQJLG-ZRNYENFQSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228038 1368212532 /nfs/dbraw/zinc/21/25/32/1368212532.db2.gz PIWOYIYWLIPABG-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228042 1368213154 /nfs/dbraw/zinc/21/31/54/1368213154.db2.gz PIWOYIYWLIPABG-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296253 1368225271 /nfs/dbraw/zinc/22/52/71/1368225271.db2.gz YRACARQBAZDBCJ-RBUKOAKNSA-N 2 0 331.504 3.011 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C(=O)Oc1ccc(C)cc1 ZINC001194446036 1368263163 /nfs/dbraw/zinc/26/31/63/1368263163.db2.gz RWOLSVHHAYCHGC-UHFFFAOYSA-N 2 0 349.519 3.479 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416313 1368303782 /nfs/dbraw/zinc/30/37/82/1368303782.db2.gz LVTQGFRNESGQFA-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467289 1368311336 /nfs/dbraw/zinc/31/13/36/1368311336.db2.gz DJBSZMXBFCDJGD-ZRNYENFQSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001111846976 1368501097 /nfs/dbraw/zinc/50/10/97/1368501097.db2.gz GIDXQWKOJCERQV-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855771 1368508668 /nfs/dbraw/zinc/50/86/68/1368508668.db2.gz LVLVIWIKQDXBDF-ZETQTWJXSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111869822 1368517232 /nfs/dbraw/zinc/51/72/32/1368517232.db2.gz LTPYLMXGLWRIKL-NSHGMRRFSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111873334 1368519815 /nfs/dbraw/zinc/51/98/15/1368519815.db2.gz VUMLAZQLGCEFAV-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001196060214 1368541523 /nfs/dbraw/zinc/54/15/23/1368541523.db2.gz OVLQZVLLFVUXKG-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](CC1CCCC1)C2 ZINC001112002419 1368607130 /nfs/dbraw/zinc/60/71/30/1368607130.db2.gz GDPNNMOTZLYRGC-FPOVZHCZSA-N 2 0 347.547 3.023 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006044 1368608461 /nfs/dbraw/zinc/60/84/61/1368608461.db2.gz DXOCHXJUWIFLFD-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020671 1368623277 /nfs/dbraw/zinc/62/32/77/1368623277.db2.gz SVCSSXPVAUPLBK-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020523 1368623311 /nfs/dbraw/zinc/62/33/11/1368623311.db2.gz LXLQCERCHBFWJE-ICSRJNTNSA-N 2 0 335.536 3.023 20 0 EGADRP CC[NH+](CC)CCCNC(=S)NCC[PH+](C(C)C)C(C)C ZINC001196720464 1368669957 /nfs/dbraw/zinc/66/99/57/1368669957.db2.gz GZRDWZBBHYWVLC-UHFFFAOYSA-N 2 0 333.526 3.481 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001196919065 1368713922 /nfs/dbraw/zinc/71/39/22/1368713922.db2.gz XNJKVFCLYNGKBJ-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001197134680 1368751627 /nfs/dbraw/zinc/75/16/27/1368751627.db2.gz VDZIHAAMBALNMA-IBGZPJMESA-N 2 0 335.536 3.142 20 0 EGADRP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001112379181 1368806080 /nfs/dbraw/zinc/80/60/80/1368806080.db2.gz UXAVAGXOHZVGKG-LPHOPBHVSA-N 2 0 349.544 3.052 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC001197484768 1368823959 /nfs/dbraw/zinc/82/39/59/1368823959.db2.gz JEFLOQUTJFPKNJ-HXUWFJFHSA-N 2 0 345.531 3.087 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC001197484766 1368824530 /nfs/dbraw/zinc/82/45/30/1368824530.db2.gz JEFLOQUTJFPKNJ-FQEVSTJZSA-N 2 0 345.531 3.087 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197692362 1368874649 /nfs/dbraw/zinc/87/46/49/1368874649.db2.gz UYBOVBVKNAMBRJ-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP CCc1cccc(C[N@@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001197886704 1368919811 /nfs/dbraw/zinc/91/98/11/1368919811.db2.gz ZAAVFIZHJQJSPU-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001112540049 1368920899 /nfs/dbraw/zinc/92/08/99/1368920899.db2.gz CKPVUNCOVVUHFY-DYXWJJEUSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001197899191 1368922128 /nfs/dbraw/zinc/92/21/28/1368922128.db2.gz PTHWPAOEBGXHKZ-KRWDZBQOSA-N 2 0 349.494 3.153 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567331 1368931001 /nfs/dbraw/zinc/93/10/01/1368931001.db2.gz JCCKMGGFOTXQPG-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001198259868 1368992091 /nfs/dbraw/zinc/99/20/91/1368992091.db2.gz SHLKCLBGFMQVCG-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113528733 1369478881 /nfs/dbraw/zinc/47/88/81/1369478881.db2.gz NUCRRROZTBIBIW-UHFFFAOYSA-N 2 0 339.568 3.469 20 0 EGADRP CC/C=C/CC[NH+]1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001113528964 1369479852 /nfs/dbraw/zinc/47/98/52/1369479852.db2.gz YDDOFQKXHIOAAB-BQYQJAHWSA-N 2 0 337.552 3.389 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001113571549 1369497280 /nfs/dbraw/zinc/49/72/80/1369497280.db2.gz UFQCLLQUONWUIH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001113571286 1369497309 /nfs/dbraw/zinc/49/73/09/1369497309.db2.gz GFFQSVILLFXHAV-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201230944 1369501115 /nfs/dbraw/zinc/50/11/15/1369501115.db2.gz YOCGFJQDKZQBQN-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201239389 1369502523 /nfs/dbraw/zinc/50/25/23/1369502523.db2.gz KGZPNBOQSKXEPZ-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001201378024 1369530783 /nfs/dbraw/zinc/53/07/83/1369530783.db2.gz AGZOYMXERHCGBA-MRXNPFEDSA-N 2 0 337.552 3.266 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C[C@H]2CC=CCC2)CC3)cn1 ZINC001201412799 1369539398 /nfs/dbraw/zinc/53/93/98/1369539398.db2.gz YPBDKRCALBULLR-SFHVURJKSA-N 2 0 328.504 3.207 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001201502339 1369558311 /nfs/dbraw/zinc/55/83/11/1369558311.db2.gz HPOHVZHVZRCKHA-AZUAARDMSA-N 2 0 345.531 3.431 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001201618454 1369591506 /nfs/dbraw/zinc/59/15/06/1369591506.db2.gz XYJKLUZNBQNOCH-VAMGGRTRSA-N 2 0 338.536 3.013 20 0 EGADRP Cc1nc2ccc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)cc2s1 ZINC001201659248 1369598407 /nfs/dbraw/zinc/59/84/07/1369598407.db2.gz SZYKGJRXRKXANU-UHFFFAOYSA-N 2 0 339.468 3.495 20 0 EGADRP C[NH+]1CCN(c2cc(-n3ccc4c3cc(Cl)cc4N)cc[nH+]2)CC1 ZINC001201668774 1369601754 /nfs/dbraw/zinc/60/17/54/1369601754.db2.gz ZVEXLBKMNGSLTC-UHFFFAOYSA-N 2 0 341.846 3.013 20 0 EGADRP CSCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201680154 1369604433 /nfs/dbraw/zinc/60/44/33/1369604433.db2.gz BKEJBCGPNWWSOW-LJQANCHMSA-N 2 0 348.556 3.495 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201801244 1369626293 /nfs/dbraw/zinc/62/62/93/1369626293.db2.gz GCTCTGSEHHUXHV-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC([NH2+]CC3CCCC3)CC2)CCCC1 ZINC001201838322 1369631831 /nfs/dbraw/zinc/63/18/31/1369631831.db2.gz AFKJEEHGFDRIDN-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP COc1cc2c(cc1CN[C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)OCO2 ZINC001201947037 1369649248 /nfs/dbraw/zinc/64/92/48/1369649248.db2.gz QJAGLRWATMQSMX-HUUCEWRRSA-N 2 0 346.471 3.167 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144798 1369700654 /nfs/dbraw/zinc/70/06/54/1369700654.db2.gz JLNPFNXQQQZIEE-XFHJGTJQSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001202224872 1369717868 /nfs/dbraw/zinc/71/78/68/1369717868.db2.gz KEZPJJIPUQWGFV-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202473031 1369783029 /nfs/dbraw/zinc/78/30/29/1369783029.db2.gz DNVJKVXNRINODN-SFHVURJKSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001202496489 1369789954 /nfs/dbraw/zinc/78/99/54/1369789954.db2.gz SSUWBYOTDVRWME-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](CC(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)CC(C)(C)C ZINC001202527156 1369799817 /nfs/dbraw/zinc/79/98/17/1369799817.db2.gz YYDAFSGKVPJWBX-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202872596 1369914302 /nfs/dbraw/zinc/91/43/02/1369914302.db2.gz IUPDAKUOFZFRHO-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]CCCC(C)C)CC1)C(C)C ZINC001202990805 1369947720 /nfs/dbraw/zinc/94/77/20/1369947720.db2.gz DUPZVROHKVRVCI-LJQANCHMSA-N 2 0 339.568 3.370 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001114502366 1369977316 /nfs/dbraw/zinc/97/73/16/1369977316.db2.gz SRWOULZVEQMWSE-ZKXHPHHLSA-N 2 0 347.547 3.042 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203100932 1369983179 /nfs/dbraw/zinc/98/31/79/1369983179.db2.gz BVUODTUCTPNMRC-MSOLQXFVSA-N 2 0 347.547 3.066 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203102240 1369983462 /nfs/dbraw/zinc/98/34/62/1369983462.db2.gz HDSVVNXOWCIJEP-HOTGVXAUSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115317 1369987974 /nfs/dbraw/zinc/98/79/74/1369987974.db2.gz UFZAKLZVZMGEFP-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203166839 1370007126 /nfs/dbraw/zinc/00/71/26/1370007126.db2.gz AQJBYVQDAURNEM-ROUUACIJSA-N 2 0 340.471 3.011 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203248711 1370040018 /nfs/dbraw/zinc/04/00/18/1370040018.db2.gz JECPEQOCQQAQBW-PJHKVULZSA-N 2 0 347.547 3.234 20 0 EGADRP Cn1cccc1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001203259885 1370047010 /nfs/dbraw/zinc/04/70/10/1370047010.db2.gz LYMYOIBFGXOJII-IBGZPJMESA-N 2 0 327.472 3.495 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203311692 1370077295 /nfs/dbraw/zinc/07/72/95/1370077295.db2.gz OBEQPMJKZIIZCP-SJORKVTESA-N 2 0 347.503 3.018 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203325977 1370083048 /nfs/dbraw/zinc/08/30/48/1370083048.db2.gz REQWKIJQGTYMNN-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330087 1370084311 /nfs/dbraw/zinc/08/43/11/1370084311.db2.gz CQCHMDMXABDNBW-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330778 1370084652 /nfs/dbraw/zinc/08/46/52/1370084652.db2.gz SFRIROBYOUHZHE-ZMGAVLDPSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428239 1370121736 /nfs/dbraw/zinc/12/17/36/1370121736.db2.gz XFJXBUVXXACDHY-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC001203442656 1370128687 /nfs/dbraw/zinc/12/86/87/1370128687.db2.gz KVIHBVUMADBWTC-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC)C12CCC2 ZINC001203506499 1370148505 /nfs/dbraw/zinc/14/85/05/1370148505.db2.gz JLMXARPXKZPCIQ-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203652690 1370202414 /nfs/dbraw/zinc/20/24/14/1370202414.db2.gz WPPHHLDQTJEFIV-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203771099 1370258566 /nfs/dbraw/zinc/25/85/66/1370258566.db2.gz LTYRADDIHIPMKR-QZTJIDSGSA-N 2 0 335.536 3.070 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203772202 1370258569 /nfs/dbraw/zinc/25/85/69/1370258569.db2.gz QKVVDWVJPWVORT-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203791184 1370266393 /nfs/dbraw/zinc/26/63/93/1370266393.db2.gz DUWBOGYQQUBHTK-OALUTQOASA-N 2 0 349.563 3.314 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203823054 1370277855 /nfs/dbraw/zinc/27/78/55/1370277855.db2.gz FJYSMFKIHYWXKG-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823560 1370278872 /nfs/dbraw/zinc/27/88/72/1370278872.db2.gz LVUFSRDGEMVSAX-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC001204056716 1370362624 /nfs/dbraw/zinc/36/26/24/1370362624.db2.gz JNXFBSSMFZYPFB-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC001204061851 1370363656 /nfs/dbraw/zinc/36/36/56/1370363656.db2.gz HASKZGFLXWJQMO-UHFFFAOYSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338949 1370394987 /nfs/dbraw/zinc/39/49/87/1370394987.db2.gz XESHIPZOFUKHPS-RUYXUALKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001115338587 1370395149 /nfs/dbraw/zinc/39/51/49/1370395149.db2.gz ODPMSQMNPOVWSU-GJPWGKPRSA-N 2 0 347.547 3.045 20 0 EGADRP Cn1cncc1C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC001204384992 1370462833 /nfs/dbraw/zinc/46/28/33/1370462833.db2.gz HBQJTFXHMSUQIH-UHFFFAOYSA-N 2 0 344.528 3.360 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001187231192 1388077380 /nfs/dbraw/zinc/07/73/80/1388077380.db2.gz IJVNCVGDFUVTDD-RTBURBONSA-N 2 0 345.531 3.287 20 0 EGADRP c1c(C[NH+]2CCN(c3ccccc3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001204597903 1370527664 /nfs/dbraw/zinc/52/76/64/1370527664.db2.gz BHZSAYPVVPCJOY-UHFFFAOYSA-N 2 0 346.478 3.067 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735076 1370558335 /nfs/dbraw/zinc/55/83/35/1370558335.db2.gz KWQOJJNOMGHLAF-UHFFFAOYSA-N 2 0 325.456 3.209 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204735229 1370559249 /nfs/dbraw/zinc/55/92/49/1370559249.db2.gz PAVXMTUBFZSGSO-UHFFFAOYSA-N 2 0 326.843 3.453 20 0 EGADRP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CCO1 ZINC001204754867 1370566846 /nfs/dbraw/zinc/56/68/46/1370566846.db2.gz AVODHVLDUVEVHU-HXUWFJFHSA-N 2 0 347.462 3.451 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115571784 1370573813 /nfs/dbraw/zinc/57/38/13/1370573813.db2.gz OQJCPEDPTUYJIE-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCCCF)CCCCC2)CCC1 ZINC001115571988 1370574230 /nfs/dbraw/zinc/57/42/30/1370574230.db2.gz XNRGXTIDLHOGAX-UHFFFAOYSA-N 2 0 341.515 3.019 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115574534 1370577720 /nfs/dbraw/zinc/57/77/20/1370577720.db2.gz AUGSZYOXTLCKOI-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001204798797 1370578215 /nfs/dbraw/zinc/57/82/15/1370578215.db2.gz OGOJYCSPCQOATF-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCCC1 ZINC001115592041 1370593199 /nfs/dbraw/zinc/59/31/99/1370593199.db2.gz PYIDCLJYMWLKCC-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP COc1ccc(CC[N@H+](CCC[NH2+]C2CCCCC2)C[C@H](C)O)cc1 ZINC001204896867 1370599944 /nfs/dbraw/zinc/59/99/44/1370599944.db2.gz QRDWMFLVCSIXDU-SFHVURJKSA-N 2 0 348.531 3.233 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115601722 1370601065 /nfs/dbraw/zinc/60/10/65/1370601065.db2.gz OQQQBJJSPAEWKX-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)(C)CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614544 1370611968 /nfs/dbraw/zinc/61/19/68/1370611968.db2.gz IBYHUKJNJPZIIN-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(NCC1([NH2+]C/C=C\Cl)CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001115630224 1370623088 /nfs/dbraw/zinc/62/30/88/1370623088.db2.gz FSPLUWAWZAFQLB-WTKPLQERSA-N 2 0 346.862 3.109 20 0 EGADRP COC(=O)c1ccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205151435 1370664255 /nfs/dbraw/zinc/66/42/55/1370664255.db2.gz UMFHWQZAPFRGNW-MGPUTAFESA-N 2 0 338.451 3.167 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ncccc2C[NH+]2CCCC2)cn1 ZINC001205225437 1370688234 /nfs/dbraw/zinc/68/82/34/1370688234.db2.gz IYOMUKHWHRWSHC-UHFFFAOYSA-N 2 0 340.471 3.070 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc3c(c2)CC[N@@H+](C)C3)cn1 ZINC001205240244 1370692271 /nfs/dbraw/zinc/69/22/71/1370692271.db2.gz WONVYJHGDQGZBM-UHFFFAOYSA-N 2 0 325.456 3.067 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CCC2CC2)CCCCC1)[NH+](CC)CC ZINC001115726587 1370706969 /nfs/dbraw/zinc/70/69/69/1370706969.db2.gz JQJLUBQOIVXQJX-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CC(C)C)CCCCC1)[NH+](CC)CC ZINC001115726869 1370707873 /nfs/dbraw/zinc/70/78/73/1370707873.db2.gz WGZPOCGDXMUJQA-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729929 1370711877 /nfs/dbraw/zinc/71/18/77/1370711877.db2.gz YHUVIMWNAQBVFM-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115730453 1370713323 /nfs/dbraw/zinc/71/33/23/1370713323.db2.gz JVCAPYDIOXUAPA-HKUYNNGSSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730431 1370713368 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EGADRP C[C@H](C(=O)NCC1([NH2+]CC2CCC2)CCCCC1)[NH+]1CCCCCC1 ZINC001115760354 1370744505 /nfs/dbraw/zinc/74/45/05/1370744505.db2.gz MZOPQDMXMVVVBP-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@H+](CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1)C1CCC1 ZINC001205469760 1370764986 /nfs/dbraw/zinc/76/49/86/1370764986.db2.gz WTMNOUSEZXUBNK-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)C[NH+]3CCC(C)CC3)CCCCC2)C1 ZINC001115787107 1370769973 /nfs/dbraw/zinc/76/99/73/1370769973.db2.gz JOABLMNNQYVZMJ-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518742 1370778783 /nfs/dbraw/zinc/77/87/83/1370778783.db2.gz JLOUPPQGEDKAHV-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205526520 1370781915 /nfs/dbraw/zinc/78/19/15/1370781915.db2.gz YODWNQSUZREEMW-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Cl)c1OC ZINC001205558386 1370791092 /nfs/dbraw/zinc/79/10/92/1370791092.db2.gz DTGACNVYWHMDNL-INIZCTEOSA-N 2 0 330.831 3.010 20 0 EGADRP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570522 1370794976 /nfs/dbraw/zinc/79/49/76/1370794976.db2.gz KXSMMOHPQSUJOO-HNNXBMFYSA-N 2 0 334.357 3.367 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)cs2)cc1 ZINC001205591234 1370802712 /nfs/dbraw/zinc/80/27/12/1370802712.db2.gz ICZWDQUEQGZSBJ-GOSISDBHSA-N 2 0 349.475 3.472 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618262 1370812384 /nfs/dbraw/zinc/81/23/84/1370812384.db2.gz TYOUOTVRFKYJGB-CHWSQXEVSA-N 2 0 346.393 3.401 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205617477 1370812510 /nfs/dbraw/zinc/81/25/10/1370812510.db2.gz KFXGDSMMWARILV-GXTWGEPZSA-N 2 0 341.293 3.265 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618421 1370812530 /nfs/dbraw/zinc/81/25/30/1370812530.db2.gz VVJITXKONMBNDX-UZLBHIALSA-N 2 0 340.515 3.355 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205627169 1370816432 /nfs/dbraw/zinc/81/64/32/1370816432.db2.gz NKIKXKIWQRJQSM-CHWSQXEVSA-N 2 0 346.393 3.401 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)cc21 ZINC001205651903 1370829178 /nfs/dbraw/zinc/82/91/78/1370829178.db2.gz LNZBQXVKJMDHOL-QFBILLFUSA-N 3 0 327.516 3.495 20 0 EGADRP C[C@H]1CC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC[C@H]1C[NH3+] ZINC001205653727 1370829636 /nfs/dbraw/zinc/82/96/36/1370829636.db2.gz UUALZABEMNQWFN-ZFWWWQNUSA-N 2 0 331.485 3.323 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662655 1370833660 /nfs/dbraw/zinc/83/36/60/1370833660.db2.gz CWZXLBJSSCFZJQ-UWJYYQICSA-N 2 0 332.532 3.338 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)cc2)cc1 ZINC001205672339 1370837577 /nfs/dbraw/zinc/83/75/77/1370837577.db2.gz IZVAJNUALIJYPZ-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP Nc1cc[nH+]c2cc(-c3ccc(CC[NH+]4CCOCC4)cc3)ccc12 ZINC001205673273 1370837596 /nfs/dbraw/zinc/83/75/96/1370837596.db2.gz XUJZVGJYRWWNBE-UHFFFAOYSA-N 2 0 333.435 3.359 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001325966639 1388098730 /nfs/dbraw/zinc/09/87/30/1388098730.db2.gz ZSXTXEKBWKICPY-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751990 1370860601 /nfs/dbraw/zinc/86/06/01/1370860601.db2.gz RXNQTDKSZZRZQW-XQQSMPNESA-N 2 0 347.547 3.045 20 0 EGADRP Cc1cc(CN2CCC(F)(F)[C@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205777918 1370867035 /nfs/dbraw/zinc/86/70/35/1370867035.db2.gz DIOVDGLVCIFAJB-GFCCVEGCSA-N 2 0 338.320 3.310 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205854829 1370893456 /nfs/dbraw/zinc/89/34/56/1370893456.db2.gz YTXMDPVHBUQBNL-SREVYHEPSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3F)nc2)CCC[C@@H]1C[NH3+] ZINC001206003287 1370935689 /nfs/dbraw/zinc/93/56/89/1370935689.db2.gz GJGATBOCVAHXHX-GDBMZVCRSA-N 2 0 328.435 3.090 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(Oc3ncccn3)cc2)CCC[C@@H]1C[NH3+] ZINC001206005877 1370936520 /nfs/dbraw/zinc/93/65/20/1370936520.db2.gz ZDOKBKVDZIQKTF-DOTOQJQBSA-N 2 0 326.444 3.076 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206013053 1370937767 /nfs/dbraw/zinc/93/77/67/1370937767.db2.gz PBVCDGSTRNIOFG-HIFRSBDPSA-N 2 0 338.879 3.324 20 0 EGADRP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CCC[C@@H]1C[NH3+] ZINC001206028773 1370943354 /nfs/dbraw/zinc/94/33/54/1370943354.db2.gz ZALPYBZBGZCQIA-QWHCGFSZSA-N 2 0 334.414 3.162 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)CC1 ZINC001206061055 1370951012 /nfs/dbraw/zinc/95/10/12/1370951012.db2.gz DDKYDNLKVYNMRK-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC[C@H]1F ZINC001206174850 1370980360 /nfs/dbraw/zinc/98/03/60/1370980360.db2.gz PVRDINOWMSIFEV-HUUCEWRRSA-N 2 0 334.826 3.058 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001206246032 1371003351 /nfs/dbraw/zinc/00/33/51/1371003351.db2.gz PGMVHAJARGXNIH-JBVUFVISSA-N 2 0 337.552 3.291 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206274579 1371009669 /nfs/dbraw/zinc/00/96/69/1371009669.db2.gz JVBGDYACDQGVOL-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001206274252 1371009992 /nfs/dbraw/zinc/00/99/92/1371009992.db2.gz GDOXZQTUNVOGFS-SFHVURJKSA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+](C)CCn1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)cn1 ZINC001206373793 1371036001 /nfs/dbraw/zinc/03/60/01/1371036001.db2.gz QBCYKPSAOIVEDL-UHFFFAOYSA-N 2 0 330.451 3.237 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482081 1371068138 /nfs/dbraw/zinc/06/81/38/1371068138.db2.gz OMNMAVDFDYTLIF-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206499816 1371073783 /nfs/dbraw/zinc/07/37/83/1371073783.db2.gz CUFQZUJRZVIGMU-UHFFFAOYSA-N 2 0 332.366 3.155 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnc(-c3ccccc3F)nc2)C1 ZINC001206556217 1371092412 /nfs/dbraw/zinc/09/24/12/1371092412.db2.gz ORCASOXFUDTCMI-LJQANCHMSA-N 2 0 328.435 3.234 20 0 EGADRP C[NH+]1CCC(COc2cccc(F)c2Nc2cc[nH+]c(N)c2)CC1 ZINC001206578194 1371098229 /nfs/dbraw/zinc/09/82/29/1371098229.db2.gz JXHYLTXWWMRMCK-UHFFFAOYSA-N 2 0 330.407 3.267 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC001118197094 1371144535 /nfs/dbraw/zinc/14/45/35/1371144535.db2.gz HZZYCGTYVOJRQN-SFHVURJKSA-N 2 0 337.552 3.397 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206947940 1371240593 /nfs/dbraw/zinc/24/05/93/1371240593.db2.gz OZBNFVARHCHMEF-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001206954465 1371244657 /nfs/dbraw/zinc/24/46/57/1371244657.db2.gz KARWMBFPLICZDD-SFHVURJKSA-N 2 0 345.531 3.224 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@H]2CCCC[C@H]2N(C)C)CC1 ZINC001119238029 1371287831 /nfs/dbraw/zinc/28/78/31/1371287831.db2.gz VUQQIYMQFWHPLH-ZWKOTPCHSA-N 2 0 331.504 3.126 20 0 EGADRP COC(=O)CC1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207289856 1371353007 /nfs/dbraw/zinc/35/30/07/1371353007.db2.gz XYBPUJXDXOVGPR-UHFFFAOYSA-N 2 0 344.499 3.174 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)CCc1cccc(Cl)c1 ZINC001207422176 1371390737 /nfs/dbraw/zinc/39/07/37/1371390737.db2.gz BALHBKXWFMBCJI-UHFFFAOYSA-N 2 0 325.928 3.088 20 0 EGADRP c1csc(C[N@H+]2CCC3(C2)CC[NH+](CC2CC[NH2+]CC2)CC3)c1 ZINC001207435354 1371395832 /nfs/dbraw/zinc/39/58/32/1371395832.db2.gz MEANEIHVAVFWMU-UHFFFAOYSA-N 3 0 333.545 3.036 20 0 EGADRP CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207440877 1371396900 /nfs/dbraw/zinc/39/69/00/1371396900.db2.gz IUZRPSQMYQZPSP-UHFFFAOYSA-N 2 0 345.487 3.391 20 0 EGADRP Cc1cc(N2CC[NH+](C[C@H]3CCCOC3)CC2)c2ccccc2[nH+]1 ZINC001207460692 1371401850 /nfs/dbraw/zinc/40/18/50/1371401850.db2.gz GOALWKMKKGCEIY-QGZVFWFLSA-N 2 0 325.456 3.092 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC001207479060 1371408407 /nfs/dbraw/zinc/40/84/07/1371408407.db2.gz CGNBYFHTNBMNAP-VMPITWQZSA-N 2 0 327.516 3.049 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001207480138 1371408768 /nfs/dbraw/zinc/40/87/68/1371408768.db2.gz UTAJPUGFPTUPSV-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486898 1371411274 /nfs/dbraw/zinc/41/12/74/1371411274.db2.gz OSYMWJUHCYFJHZ-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541201 1371430110 /nfs/dbraw/zinc/43/01/10/1371430110.db2.gz YBWFCDRIPATWIL-ODWICZQRSA-N 2 0 349.563 3.432 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001120009584 1371453630 /nfs/dbraw/zinc/45/36/30/1371453630.db2.gz AMYATEHTMVJDJJ-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCCC1 ZINC001120045906 1371467606 /nfs/dbraw/zinc/46/76/06/1371467606.db2.gz ICGHFTAZKIBVDT-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001120207754 1371504120 /nfs/dbraw/zinc/50/41/20/1371504120.db2.gz DLQOEKWAQOCYFA-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207957 1371505315 /nfs/dbraw/zinc/50/53/15/1371505315.db2.gz NZITWTBAGJDHQA-FPLPWBNLSA-N 2 0 337.552 3.482 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H](C)c1ccccc1)C2 ZINC001207904321 1371533110 /nfs/dbraw/zinc/53/31/10/1371533110.db2.gz CPKCATFLABDOFA-COPCDDAFSA-N 2 0 342.527 3.470 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001207913480 1371536326 /nfs/dbraw/zinc/53/63/26/1371536326.db2.gz LKZBNTWKLJJFMD-IBGZPJMESA-N 2 0 345.575 3.342 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120450588 1371580953 /nfs/dbraw/zinc/58/09/53/1371580953.db2.gz WUEPSAAYHSUVOL-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459544 1371583356 /nfs/dbraw/zinc/58/33/56/1371583356.db2.gz NDACKADVZKAQGR-YIYNPQHWSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001208073381 1371588604 /nfs/dbraw/zinc/58/86/04/1371588604.db2.gz JBBYZAFGCDMMBI-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001120503193 1371593876 /nfs/dbraw/zinc/59/38/76/1371593876.db2.gz KNALZXYREPCGRM-KRWDZBQOSA-N 2 0 347.478 3.174 20 0 EGADRP CN(Cc1ccccc1F)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208110858 1371598003 /nfs/dbraw/zinc/59/80/03/1371598003.db2.gz HTAYATCJBMDVDR-UHFFFAOYSA-N 3 0 347.522 3.454 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCN(c3nccc4ccccc43)CC2)CC1 ZINC001208114083 1371600323 /nfs/dbraw/zinc/60/03/23/1371600323.db2.gz RAAYUNKCEZSVCG-UHFFFAOYSA-N 2 0 338.499 3.089 20 0 EGADRP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113530 1371600399 /nfs/dbraw/zinc/60/03/99/1371600399.db2.gz LCLXXGVJWYXLQK-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208164042 1371614714 /nfs/dbraw/zinc/61/47/14/1371614714.db2.gz PRXUTXFMWMNXBJ-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cccc(O[C@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208189622 1371630410 /nfs/dbraw/zinc/63/04/10/1371630410.db2.gz WJUCKUHMVMUSOQ-SFHVURJKSA-N 2 0 331.504 3.355 20 0 EGADRP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001208214215 1371656935 /nfs/dbraw/zinc/65/69/35/1371656935.db2.gz SBAZSHAMSXAYLO-MRXNPFEDSA-N 2 0 330.472 3.154 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001208448088 1371769961 /nfs/dbraw/zinc/76/99/61/1371769961.db2.gz VBTZWMXYCRXKHW-PKOBYXMFSA-N 2 0 345.531 3.367 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475178 1371782258 /nfs/dbraw/zinc/78/22/58/1371782258.db2.gz SFDNCVBFKXLSQY-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563970 1371819161 /nfs/dbraw/zinc/81/91/61/1371819161.db2.gz IKGIFQRQVYQMBT-PYTPGESOSA-N 2 0 340.471 3.275 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563973 1371819409 /nfs/dbraw/zinc/81/94/09/1371819409.db2.gz IKGIFQRQVYQMBT-XDXAGZTOSA-N 2 0 340.471 3.275 20 0 EGADRP CC[NH+]1CCC(N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588598 1371829901 /nfs/dbraw/zinc/82/99/01/1371829901.db2.gz JEMQANFQYVLRIR-OAQYLSRUSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208592360 1371831236 /nfs/dbraw/zinc/83/12/36/1371831236.db2.gz TWWBQQZBXRYNIN-NHCUHLMSSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001208600723 1371836647 /nfs/dbraw/zinc/83/66/47/1371836647.db2.gz UNJRRSRQQVXXEH-UHFFFAOYSA-N 3 0 329.532 3.315 20 0 EGADRP c1cc(C[NH+]2CCO[C@@H]3C[N@H+](CCC4CCCC4)CC[C@@H]3C2)ccn1 ZINC001208693279 1371863503 /nfs/dbraw/zinc/86/35/03/1371863503.db2.gz HQFVUBLGKBUFAQ-NHCUHLMSSA-N 2 0 343.515 3.185 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC3(C2)CC([NH2+]CCC2CCCC2)C3)CCC1 ZINC001121238157 1371904200 /nfs/dbraw/zinc/90/42/00/1371904200.db2.gz JXXXMEXQYHXVNX-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCCc1cccc(Br)c1)C2 ZINC001208824307 1371907102 /nfs/dbraw/zinc/90/71/02/1371907102.db2.gz DHZIXFCEYGHYPU-NVXWUHKLSA-N 2 0 337.305 3.265 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001121289582 1371923026 /nfs/dbraw/zinc/92/30/26/1371923026.db2.gz YQBPKQJIBKWWOA-GRFHQPFKSA-N 2 0 347.547 3.066 20 0 EGADRP COC(=O)[C@@]1(C)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939974 1371954783 /nfs/dbraw/zinc/95/47/83/1371954783.db2.gz MUJYCCOFZXEDCG-CTNGQTDRSA-N 2 0 344.499 3.174 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208940674 1371955059 /nfs/dbraw/zinc/95/50/59/1371955059.db2.gz VEYIDFQXTHRUHP-OAQYLSRUSA-N 3 0 341.543 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@H](C)CC)C3)C1 ZINC001121616689 1372026978 /nfs/dbraw/zinc/02/69/78/1372026978.db2.gz OGKLLADMUAXPEG-IPHBXJNRSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121662772 1372039094 /nfs/dbraw/zinc/03/90/94/1372039094.db2.gz FCDGYMBVKSXROJ-FUSSNKQKSA-N 2 0 337.552 3.027 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209278845 1372056093 /nfs/dbraw/zinc/05/60/93/1372056093.db2.gz RSCJADMUSPSQBT-IPLHWJFFSA-N 2 0 347.503 3.282 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C[C@H]1C[C@H]1C)CC2 ZINC001209414869 1372099034 /nfs/dbraw/zinc/09/90/34/1372099034.db2.gz MYHOHVPVMNZFDC-GGPKGHCWSA-N 2 0 343.515 3.041 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2CCC12CC3CC(CC(C3)C1)C2 ZINC001209447948 1372108575 /nfs/dbraw/zinc/10/85/75/1372108575.db2.gz STBSCHPGLGFQDR-VEQMMRKXSA-N 2 0 345.575 3.303 20 0 EGADRP Cc1cccc2c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c[nH]c21 ZINC001209487764 1372119249 /nfs/dbraw/zinc/11/92/49/1372119249.db2.gz PHYNJKOYNYDERV-UHFFFAOYSA-N 2 0 330.520 3.182 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001121908548 1372119635 /nfs/dbraw/zinc/11/96/35/1372119635.db2.gz MUPWNGASUARPSY-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP C[NH2+]CCCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001121915434 1372121913 /nfs/dbraw/zinc/12/19/13/1372121913.db2.gz FAGUAWWOWDPKMK-UHFFFAOYSA-N 2 0 331.504 3.069 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121935326 1372127155 /nfs/dbraw/zinc/12/71/55/1372127155.db2.gz NCNZUYNTZBCZMP-HJWRWDBZSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122064305 1372166292 /nfs/dbraw/zinc/16/62/92/1372166292.db2.gz XZVUVGMZCOKUSP-RBUNFDSBSA-N 2 0 349.563 3.314 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001326420868 1388183514 /nfs/dbraw/zinc/18/35/14/1388183514.db2.gz JYPJHRJBMIKOLB-RBUKOAKNSA-N 2 0 329.488 3.171 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209939793 1372237940 /nfs/dbraw/zinc/23/79/40/1372237940.db2.gz ICXYFTWSLSSTEQ-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001209951737 1372240106 /nfs/dbraw/zinc/24/01/06/1372240106.db2.gz MMXUTJDPXAKSPV-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP Nc1cc(Cl)cc(Cl)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265262 1372309616 /nfs/dbraw/zinc/30/96/16/1372309616.db2.gz AOPXRQXPEZYJOM-UHFFFAOYSA-N 2 0 338.242 3.124 20 0 EGADRP c1cc(Oc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)ccn1 ZINC001210267140 1372310308 /nfs/dbraw/zinc/31/03/08/1372310308.db2.gz XGGNMUIPFOQXDQ-UHFFFAOYSA-N 2 0 347.422 3.422 20 0 EGADRP Clc1nc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc2s1 ZINC001210268829 1372311031 /nfs/dbraw/zinc/31/10/31/1372311031.db2.gz JRWBOUATISFXLB-UHFFFAOYSA-N 2 0 345.859 3.498 20 0 EGADRP CC(C)Oc1cc(F)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271632 1372311602 /nfs/dbraw/zinc/31/16/02/1372311602.db2.gz XRUPVYFDEVFHSJ-UHFFFAOYSA-N 2 0 330.407 3.161 20 0 EGADRP Clc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c2ncccc12 ZINC001210270402 1372312055 /nfs/dbraw/zinc/31/20/55/1372312055.db2.gz AYHWVFPAGBRWLD-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210482507 1372364093 /nfs/dbraw/zinc/36/40/93/1372364093.db2.gz OPHPUBATSXQUHN-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC001210635529 1372397562 /nfs/dbraw/zinc/39/75/62/1372397562.db2.gz ZDPJRNLQQAJAIV-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001210645396 1372398871 /nfs/dbraw/zinc/39/88/71/1372398871.db2.gz QZJHXWSMZUMNPO-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001210743611 1372417715 /nfs/dbraw/zinc/41/77/15/1372417715.db2.gz JTXLEYOJXXKLFO-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001210750818 1372419204 /nfs/dbraw/zinc/41/92/04/1372419204.db2.gz MFDYVPKGAJWLCC-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001210796395 1372427906 /nfs/dbraw/zinc/42/79/06/1372427906.db2.gz FTQJYZXRRLFUSV-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094533 1372484712 /nfs/dbraw/zinc/48/47/12/1372484712.db2.gz DXNBZPLWODQNOT-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001211240400 1372509479 /nfs/dbraw/zinc/50/94/79/1372509479.db2.gz KPHGIYUIUODTGU-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240370 1372509540 /nfs/dbraw/zinc/50/95/40/1372509540.db2.gz KDOOBEANIKZEGT-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001211240964 1372510304 /nfs/dbraw/zinc/51/03/04/1372510304.db2.gz PXDIIHIFGYROHQ-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443563 1372559457 /nfs/dbraw/zinc/55/94/57/1372559457.db2.gz DAEXUHVHBLQXJX-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444331 1372559787 /nfs/dbraw/zinc/55/97/87/1372559787.db2.gz VNUOCAFOWGHLKF-NYQZOWANSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444319 1372560200 /nfs/dbraw/zinc/56/02/00/1372560200.db2.gz UTBAYKNARSCNHR-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC)C1 ZINC001211691035 1372602960 /nfs/dbraw/zinc/60/29/60/1372602960.db2.gz RGPCGAUHXPUIDP-VQTJNVASSA-N 2 0 345.531 3.103 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001212338723 1372690208 /nfs/dbraw/zinc/69/02/08/1372690208.db2.gz QZMAFXQDLZBYCS-INIZCTEOSA-N 2 0 334.807 3.439 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccccc2N2CCCC2)CC1 ZINC001213605708 1372934034 /nfs/dbraw/zinc/93/40/34/1372934034.db2.gz MOHMXYJRJTUYSZ-UHFFFAOYSA-N 2 0 337.471 3.177 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855697 1373130517 /nfs/dbraw/zinc/13/05/17/1373130517.db2.gz LFEZCDYCJJCERA-FJLVLMHFSA-N 2 0 347.547 3.186 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001215026969 1373158839 /nfs/dbraw/zinc/15/88/39/1373158839.db2.gz KBAOVTLMHUPCHQ-AUUYWEPGSA-N 2 0 342.487 3.129 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001215744406 1373235263 /nfs/dbraw/zinc/23/52/63/1373235263.db2.gz VQTCANJSIZLQIW-UHFFFAOYSA-N 2 0 340.471 3.407 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215778555 1373237184 /nfs/dbraw/zinc/23/71/84/1373237184.db2.gz RMMQJOBQNCLBEH-QRQLOZEOSA-N 2 0 337.552 3.122 20 0 EGADRP CN(C)c1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1Cl ZINC001216061593 1373256293 /nfs/dbraw/zinc/25/62/93/1373256293.db2.gz WXNZNMGTZQCCMQ-UHFFFAOYSA-N 2 0 345.878 3.296 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001128539244 1373285989 /nfs/dbraw/zinc/28/59/89/1373285989.db2.gz BCMUWGAQOVITON-UHFFFAOYSA-N 2 0 335.517 3.020 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1sccc1C[NH+](C)C)c1cccc(F)c1 ZINC001128545228 1373287581 /nfs/dbraw/zinc/28/75/81/1373287581.db2.gz VZQQIECKXMKCTC-ZDUSSCGKSA-N 2 0 349.475 3.029 20 0 EGADRP CNc1cc(Nc2ccc(OCC[NH+]3CCCC3)c(OC)c2)cc[nH+]1 ZINC001216337297 1373302158 /nfs/dbraw/zinc/30/21/58/1373302158.db2.gz HXKICLABYMDOBZ-UHFFFAOYSA-N 2 0 342.443 3.350 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001216348017 1373303601 /nfs/dbraw/zinc/30/36/01/1373303601.db2.gz FTDOTCILXMEDAW-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001216348318 1373304208 /nfs/dbraw/zinc/30/42/08/1373304208.db2.gz JXUZBPLJEGEPQE-RTBURBONSA-N 2 0 337.552 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001216506467 1373312240 /nfs/dbraw/zinc/31/22/40/1373312240.db2.gz JJQDGURXSGVDNP-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846468 1373350991 /nfs/dbraw/zinc/35/09/91/1373350991.db2.gz GWXNSSBWMCQHJD-AHSYYPKJSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980735 1373375085 /nfs/dbraw/zinc/37/50/85/1373375085.db2.gz POWXORKVEYXNDR-NYQZOWANSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001129855968 1373429106 /nfs/dbraw/zinc/42/91/06/1373429106.db2.gz KTZLUDJTMJHPND-LJQANCHMSA-N 2 0 345.531 3.064 20 0 EGADRP C[NH2+][C@H](CC(C)C)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217715027 1373493749 /nfs/dbraw/zinc/49/37/49/1373493749.db2.gz QYLINXPPMZPOHT-IAGOWNOFSA-N 2 0 328.460 3.366 20 0 EGADRP c1cc(OCC[NH+]2CCCCCC2)ccc1CO[C@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001217812647 1373503303 /nfs/dbraw/zinc/50/33/03/1373503303.db2.gz KLNHQDSMWHQROS-SBHAEUEKSA-N 2 0 344.499 3.208 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4C[NH2+]CC[C@@H]4F)cc32)CC1 ZINC001217961075 1373519767 /nfs/dbraw/zinc/51/97/67/1373519767.db2.gz YEUMPMKYMBIUHR-HKUYNNGSSA-N 2 0 331.435 3.056 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001218937607 1373668010 /nfs/dbraw/zinc/66/80/10/1373668010.db2.gz DXSGSJJSTHEDPD-TZIWHRDSSA-N 2 0 349.478 3.054 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001218937606 1373668110 /nfs/dbraw/zinc/66/81/10/1373668110.db2.gz DXSGSJJSTHEDPD-PZJWPPBQSA-N 2 0 349.478 3.054 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@@H]3CCC4(C3)CC[NH2+]CC4)cc2)CCC1 ZINC001218972396 1373672959 /nfs/dbraw/zinc/67/29/59/1373672959.db2.gz NHNJMBDANDJZOF-OAHLLOKOSA-N 2 0 327.472 3.133 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@@H]3CC[NH2+][C@H]3c3ccccc3)cc2)CCC1 ZINC001218972799 1373673013 /nfs/dbraw/zinc/67/30/13/1373673013.db2.gz SFHVALIDHONQRU-MOPGFXCFSA-N 2 0 335.451 3.314 20 0 EGADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1ccccc1C1CC[NH2+]CC1 ZINC001219000169 1373677573 /nfs/dbraw/zinc/67/75/73/1373677573.db2.gz ZDJPSTBBGGOJQJ-SFHVURJKSA-N 2 0 349.478 3.483 20 0 EGADRP CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001219486370 1373711744 /nfs/dbraw/zinc/71/17/44/1373711744.db2.gz ITISKFANUZJPBP-OALUTQOASA-N 2 0 343.515 3.342 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001221933712 1373806742 /nfs/dbraw/zinc/80/67/42/1373806742.db2.gz LOAKINMMUAPKFU-HSALFYBXSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCC2CCCCC2)CCCCC1 ZINC001131799078 1373810200 /nfs/dbraw/zinc/81/02/00/1373810200.db2.gz GYJHSWBMMXWZJM-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001131821748 1373822435 /nfs/dbraw/zinc/82/24/35/1373822435.db2.gz FBXUZHHBCNPUIF-HXUWFJFHSA-N 2 0 345.531 3.498 20 0 EGADRP C[C@H](CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1)n1ccnc1 ZINC001326890387 1388341254 /nfs/dbraw/zinc/34/12/54/1388341254.db2.gz PHYWERJFPPLAGQ-QGZVFWFLSA-N 2 0 346.519 3.433 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170179 1375059198 /nfs/dbraw/zinc/05/91/98/1375059198.db2.gz RTRIUMUZSHZMMU-ZCNNSNEGSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225464058 1375113244 /nfs/dbraw/zinc/11/32/44/1375113244.db2.gz KKYHCARVQCIRTP-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150168 1375170657 /nfs/dbraw/zinc/17/06/57/1375170657.db2.gz OSIKBAFLTNUSMQ-ROUUACIJSA-N 2 0 335.536 3.164 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214232 1375213560 /nfs/dbraw/zinc/21/35/60/1375213560.db2.gz DVSXUNCXIGUWSU-QZTJIDSGSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC1CCCCCC1 ZINC001132270991 1375258735 /nfs/dbraw/zinc/25/87/35/1375258735.db2.gz YKWQJHFMUFYKOQ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1)C1CC1 ZINC001226799809 1375337975 /nfs/dbraw/zinc/33/79/75/1375337975.db2.gz CXSLLJXGCMFRNV-AQNXPRMDSA-N 2 0 347.547 3.234 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132376388 1375339593 /nfs/dbraw/zinc/33/95/93/1375339593.db2.gz MJVGISDMEHFHLL-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132388495 1375346056 /nfs/dbraw/zinc/34/60/56/1375346056.db2.gz MZZQLNRMGXYWSS-DDRDIHNTSA-N 2 0 349.563 3.432 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132388496 1375346145 /nfs/dbraw/zinc/34/61/45/1375346145.db2.gz MZZQLNRMGXYWSS-KQPGTDLCSA-N 2 0 349.563 3.432 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226889993 1375353038 /nfs/dbraw/zinc/35/30/38/1375353038.db2.gz FARVVHAXZIUKGD-BLUNUBTQSA-N 2 0 335.536 3.234 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CCCCC1 ZINC001132433816 1375378132 /nfs/dbraw/zinc/37/81/32/1375378132.db2.gz QMOJCKLYLBXSJM-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132435782 1375379202 /nfs/dbraw/zinc/37/92/02/1375379202.db2.gz GTKVANBBMYCVPZ-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132435335 1375379831 /nfs/dbraw/zinc/37/98/31/1375379831.db2.gz BUHJTYCIBSRMAJ-WMZOPIPTSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132434562 1375380105 /nfs/dbraw/zinc/38/01/05/1375380105.db2.gz YJUXQEGTWKDLKK-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1Cc1ccsc1 ZINC001132517403 1375436344 /nfs/dbraw/zinc/43/63/44/1375436344.db2.gz BXNHLDJGTHUTJN-FUHWJXTLSA-N 2 0 349.544 3.093 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227483542 1375436561 /nfs/dbraw/zinc/43/65/61/1375436561.db2.gz PRTPDGSNGSPJSN-IFEVLTCRSA-N 2 0 340.471 3.321 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132518751 1375437397 /nfs/dbraw/zinc/43/73/97/1375437397.db2.gz NSIOZAYNONHHNP-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)C1CCCCC1 ZINC001227728225 1375466451 /nfs/dbraw/zinc/46/64/51/1375466451.db2.gz MNDPRXAAHVXCDG-WOJBJXKFSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227792038 1375474635 /nfs/dbraw/zinc/47/46/35/1375474635.db2.gz JSYIVQWDRWUUDH-LJQANCHMSA-N 2 0 335.536 3.164 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227792257 1375475132 /nfs/dbraw/zinc/47/51/32/1375475132.db2.gz MNMYLZBBAPPGMD-GHOSXJJBSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001228053206 1375512285 /nfs/dbraw/zinc/51/22/85/1375512285.db2.gz AADFSPJDAALBHT-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001228112776 1375518769 /nfs/dbraw/zinc/51/87/69/1375518769.db2.gz JZYTYFXVXRIBIS-HCZHMGAMSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001228168962 1375523323 /nfs/dbraw/zinc/52/33/23/1375523323.db2.gz OJRVTPLUNPSALF-INIZCTEOSA-N 2 0 342.487 3.211 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[NH+](CC)CC ZINC001228558916 1375598501 /nfs/dbraw/zinc/59/85/01/1375598501.db2.gz HULGMIGZZZATDZ-QRVBRYPASA-N 2 0 337.552 3.314 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132938622 1375657797 /nfs/dbraw/zinc/65/77/97/1375657797.db2.gz WODKGNKVJQGUIB-SJLPKXTDSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)c1ccc(Cl)cc1 ZINC001132985967 1375694501 /nfs/dbraw/zinc/69/45/01/1375694501.db2.gz YTIBZUYYWKLZGA-CYBMUJFWSA-N 2 0 349.862 3.075 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001228852533 1375694806 /nfs/dbraw/zinc/69/48/06/1375694806.db2.gz IVKRSHVUAJIHKN-VDZMMWBESA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228873086 1375701588 /nfs/dbraw/zinc/70/15/88/1375701588.db2.gz BQOOXCRLVLJBEH-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP C[N@H+](CC(=O)NC1CC[NH+](CC2=CCCCC2)CC1)CC(C)(C)C ZINC001229199577 1375786028 /nfs/dbraw/zinc/78/60/28/1375786028.db2.gz CMKMKCVQGWKRKB-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@H+](CC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1)CC(C)(C)C ZINC001229214104 1375789000 /nfs/dbraw/zinc/78/90/00/1375789000.db2.gz ANPPLZNQFPBWHN-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001229231257 1375791077 /nfs/dbraw/zinc/79/10/77/1375791077.db2.gz PGTWVXHCLLXFFE-XUVXKRRUSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165578 1375819738 /nfs/dbraw/zinc/81/97/38/1375819738.db2.gz JOONXZLXDRUGNK-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133195508 1375834984 /nfs/dbraw/zinc/83/49/84/1375834984.db2.gz RLEJYOXKQQTATM-MNVMYWNISA-N 2 0 349.563 3.149 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001229462718 1375840683 /nfs/dbraw/zinc/84/06/83/1375840683.db2.gz RPBLXUOWCMEONY-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001133261662 1375877477 /nfs/dbraw/zinc/87/74/77/1375877477.db2.gz BZOHZOWCPCDYQI-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133263091 1375879237 /nfs/dbraw/zinc/87/92/37/1375879237.db2.gz PAPRASKPENWMRA-OXUXSNCKSA-N 2 0 337.552 3.149 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001229733075 1375882592 /nfs/dbraw/zinc/88/25/92/1375882592.db2.gz WBQKCRLWIHUTDB-QZTJIDSGSA-N 2 0 346.519 3.214 20 0 EGADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(F)cc2C[NH+](C)C)C1 ZINC001229858891 1375906051 /nfs/dbraw/zinc/90/60/51/1375906051.db2.gz UATQNIIDGJFTBO-MAUKXSAKSA-N 2 0 343.446 3.497 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133337154 1375930477 /nfs/dbraw/zinc/93/04/77/1375930477.db2.gz JLFSHYGFGWEZHX-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001133358698 1375942156 /nfs/dbraw/zinc/94/21/56/1375942156.db2.gz CPEWIVMBTDJXSO-SJORKVTESA-N 2 0 349.519 3.219 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001230256947 1375978114 /nfs/dbraw/zinc/97/81/14/1375978114.db2.gz HQRMFMNUSJMMMV-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001230378163 1376011491 /nfs/dbraw/zinc/01/14/91/1376011491.db2.gz JMXFCTTVSRRDML-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230516776 1376049314 /nfs/dbraw/zinc/04/93/14/1376049314.db2.gz UJGKJLNRNRHXLM-KUHUBIRLSA-N 2 0 336.439 3.435 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610474 1376099803 /nfs/dbraw/zinc/09/98/03/1376099803.db2.gz BZEBFSDTGWJYPK-AQKVLALTSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001230617563 1376104185 /nfs/dbraw/zinc/10/41/85/1376104185.db2.gz CQYHWVAWDOKQQF-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628470 1376106778 /nfs/dbraw/zinc/10/67/78/1376106778.db2.gz ICHWQZDVZXRWEO-PKOBYXMFSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](CC)CC ZINC001133684121 1376153518 /nfs/dbraw/zinc/15/35/18/1376153518.db2.gz DDFFQYZDOZFGPZ-RHSMWYFYSA-N 2 0 339.911 3.227 20 0 EGADRP C[N@H+](CC(=O)NCC[NH2+]CCC1CCCCCC1)CC(C)(C)C ZINC001133905611 1376258512 /nfs/dbraw/zinc/25/85/12/1376258512.db2.gz DXRSLLRGUMAELL-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3cnc(-c4cccnc4)o3)CC2)CC1 ZINC001232138895 1376407357 /nfs/dbraw/zinc/40/73/57/1376407357.db2.gz KWRRNSSQIJQGHT-UHFFFAOYSA-N 2 0 340.471 3.290 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc(C)cc(O)c1 ZINC001232886734 1376532385 /nfs/dbraw/zinc/53/23/85/1376532385.db2.gz WFZVGQFEFBKWEI-UHFFFAOYSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583715 1376608680 /nfs/dbraw/zinc/60/86/80/1376608680.db2.gz NSIYRSKWGZHDCV-JKSUJKDBSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C/c1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607735 1376622193 /nfs/dbraw/zinc/62/21/93/1376622193.db2.gz KUDHBXXHRVVLLO-BBUPJTBGSA-N 2 0 343.515 3.057 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cn3cccc(Cl)c3n1)CC2 ZINC001233423744 1376642212 /nfs/dbraw/zinc/64/22/12/1376642212.db2.gz KBLJIPKSHXKMHG-UHFFFAOYSA-N 2 0 332.879 3.296 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001134772876 1376712278 /nfs/dbraw/zinc/71/22/78/1376712278.db2.gz INZXLIXWQXKRCI-ZWKOTPCHSA-N 2 0 347.547 3.222 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773349 1376713625 /nfs/dbraw/zinc/71/36/25/1376713625.db2.gz NXTLMXYKRMIARZ-DLBZAZTESA-N 2 0 347.547 3.352 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791377 1376723707 /nfs/dbraw/zinc/72/37/07/1376723707.db2.gz RALOFJBNLFMPOJ-SJORKVTESA-N 2 0 337.552 3.479 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808002 1376736367 /nfs/dbraw/zinc/73/63/67/1376736367.db2.gz CCXKKFXPLNMUMH-LSDHHAIUSA-N 2 0 328.460 3.095 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892862 1376772300 /nfs/dbraw/zinc/77/23/00/1376772300.db2.gz PXNXXKKTMOLGDD-HUUCEWRRSA-N 2 0 330.476 3.257 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993477 1376831963 /nfs/dbraw/zinc/83/19/63/1376831963.db2.gz JJDVCOWDJUDHMW-HUUCEWRRSA-N 2 0 330.476 3.257 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH2+]CCCC1CCC1 ZINC001134993915 1376831980 /nfs/dbraw/zinc/83/19/80/1376831980.db2.gz NEHWZKSBNGRCRD-CVEARBPZSA-N 2 0 342.487 3.401 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC(C)(C)C2)cc1 ZINC001135000381 1376835486 /nfs/dbraw/zinc/83/54/86/1376835486.db2.gz DFAVBRFATJYBNK-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP Oc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001235427796 1376869908 /nfs/dbraw/zinc/86/99/08/1376869908.db2.gz OHCZTHYYCVGOIP-RBUKOAKNSA-N 2 0 344.499 3.393 20 0 EGADRP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2O1 ZINC001235429766 1376870005 /nfs/dbraw/zinc/87/00/05/1376870005.db2.gz ZMDNCCJXXLECTE-UONOGXRCSA-N 2 0 338.398 3.220 20 0 EGADRP Fc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428566 1376870983 /nfs/dbraw/zinc/87/09/83/1376870983.db2.gz QQHCDAKDWFDFCN-VXGBXAGGSA-N 2 0 330.369 3.455 20 0 EGADRP CCOc1nccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430565 1376872335 /nfs/dbraw/zinc/87/23/35/1376872335.db2.gz IGTDYRUFNJILHN-HUUCEWRRSA-N 2 0 337.895 3.345 20 0 EGADRP CCOc1nccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430566 1376872497 /nfs/dbraw/zinc/87/24/97/1376872497.db2.gz IGTDYRUFNJILHN-LSDHHAIUSA-N 2 0 337.895 3.345 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135078009 1376882465 /nfs/dbraw/zinc/88/24/65/1376882465.db2.gz XMSZIMGZGAZJSD-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102170 1376900019 /nfs/dbraw/zinc/90/00/19/1376900019.db2.gz XXDFCDIGQCCLGB-IRXDYDNUSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)C[C@H]1CN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001235878932 1376908531 /nfs/dbraw/zinc/90/85/31/1376908531.db2.gz UPYKLAQLWIYUPS-LEWJYISDSA-N 2 0 329.532 3.361 20 0 EGADRP [NH3+]CCN(CC[C@H]1CCCC[NH2+]1)Cc1ccc(Cl)cc1Cl ZINC001235885868 1376911007 /nfs/dbraw/zinc/91/10/07/1376911007.db2.gz LJQQYSXCGOWKJT-OAHLLOKOSA-N 2 0 330.303 3.286 20 0 EGADRP COc1cccc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236006093 1376925117 /nfs/dbraw/zinc/92/51/17/1376925117.db2.gz NEOYIKKWDDWYOA-IRLDBZIGSA-N 2 0 336.479 3.101 20 0 EGADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(-c4cccs4)cc3)C2)C1 ZINC001236077632 1376932043 /nfs/dbraw/zinc/93/20/43/1376932043.db2.gz JMKPASYBRGGLNN-SFHVURJKSA-N 2 0 327.497 3.022 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181494 1376955002 /nfs/dbraw/zinc/95/50/02/1376955002.db2.gz QFZHSNBYPAOLHA-MHEJJFAZSA-N 2 0 337.552 3.480 20 0 EGADRP CCC[N@@H+](Cc1[nH]nc2cc(C(F)(F)F)ccc21)C[C@H]1CC[NH2+]C1 ZINC001236843967 1376966877 /nfs/dbraw/zinc/96/68/77/1376966877.db2.gz ODNMKRWAKLDTTC-LBPRGKRZSA-N 2 0 340.393 3.403 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ncc(C)cc1C ZINC001238439540 1376998518 /nfs/dbraw/zinc/99/85/18/1376998518.db2.gz GRCPMWMCMATKIX-UHFFFAOYSA-N 2 0 334.552 3.184 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1occc1C[NH+](C)C ZINC001135299084 1377027320 /nfs/dbraw/zinc/02/73/20/1377027320.db2.gz TXBAHQBRXFMMHU-GJZGRUSLSA-N 2 0 337.508 3.264 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CCC1CCCCC1 ZINC001135314798 1377033676 /nfs/dbraw/zinc/03/36/76/1377033676.db2.gz HJJVSYNVAKICTK-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001135317539 1377035418 /nfs/dbraw/zinc/03/54/18/1377035418.db2.gz YZHRHLRLEAFNDZ-MOPGFXCFSA-N 2 0 347.547 3.327 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246543292 1377052006 /nfs/dbraw/zinc/05/20/06/1377052006.db2.gz MLCFWSIMUOPSJS-WMLDXEAASA-N 2 0 343.298 3.026 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246545206 1377052037 /nfs/dbraw/zinc/05/20/37/1377052037.db2.gz UWCAICCCSASITM-PBHICJAKSA-N 2 0 343.298 3.026 20 0 EGADRP c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+]([C@@H]2CC[NH2+]C4(CCC4)C2)C3)nc1 ZINC001246721901 1377053193 /nfs/dbraw/zinc/05/31/93/1377053193.db2.gz GKHYNOSSEZFART-GGPKGHCWSA-N 2 0 341.499 3.237 20 0 EGADRP c1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)C3)co1 ZINC001246750268 1377054108 /nfs/dbraw/zinc/05/41/08/1377054108.db2.gz UBZXHAXQZKDXQD-AABGKKOBSA-N 2 0 343.515 3.241 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001135437126 1377097083 /nfs/dbraw/zinc/09/70/83/1377097083.db2.gz OJSXMBBWGHDHQF-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]CCc2ccc(OCc3ccccn3)cc2)CC1 ZINC001254508450 1377105221 /nfs/dbraw/zinc/10/52/21/1377105221.db2.gz JCIZACRNUTYHJB-IBGZPJMESA-N 2 0 339.483 3.277 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135472394 1377109774 /nfs/dbraw/zinc/10/97/74/1377109774.db2.gz WFQYGZCYXQHPMJ-IRXDYDNUSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475465 1377110236 /nfs/dbraw/zinc/11/02/36/1377110236.db2.gz AVFXLUUOYTYYBK-IAGOWNOFSA-N 2 0 333.520 3.037 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613837 1377161708 /nfs/dbraw/zinc/16/17/08/1377161708.db2.gz IAPWBEKVYXRFKX-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001135612842 1377161733 /nfs/dbraw/zinc/16/17/33/1377161733.db2.gz AKZPBRFFHAXWRV-MSOLQXFVSA-N 2 0 349.563 3.482 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135705305 1377190241 /nfs/dbraw/zinc/19/02/41/1377190241.db2.gz ABQGLXAMDWQMRQ-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768956 1377206892 /nfs/dbraw/zinc/20/68/92/1377206892.db2.gz VFIYFJRTVPNDGY-ROUUACIJSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788612 1377211180 /nfs/dbraw/zinc/21/11/80/1377211180.db2.gz IDSRTSNZSMXZHY-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788613 1377211242 /nfs/dbraw/zinc/21/12/42/1377211242.db2.gz IDSRTSNZSMXZHY-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001135824608 1377222686 /nfs/dbraw/zinc/22/26/86/1377222686.db2.gz VCKFSKOIJRHXNG-IAGOWNOFSA-N 2 0 337.552 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135861953 1377238758 /nfs/dbraw/zinc/23/87/58/1377238758.db2.gz ZNGCZKSKOSEDPO-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C)[NH2+]CCCC1CCC1 ZINC001135943974 1377272548 /nfs/dbraw/zinc/27/25/48/1377272548.db2.gz CPDUWQKRSBYDPO-CVEARBPZSA-N 2 0 346.519 3.214 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135976995 1377284722 /nfs/dbraw/zinc/28/47/22/1377284722.db2.gz PHTAIXOPYVNAJF-OLZOCXBDSA-N 2 0 345.940 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135995627 1377292131 /nfs/dbraw/zinc/29/21/31/1377292131.db2.gz IRYWLPTYNLOBAZ-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001135996448 1377292182 /nfs/dbraw/zinc/29/21/82/1377292182.db2.gz SWTOBXAUGQSOKW-LSDHHAIUSA-N 2 0 339.549 3.161 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135997087 1377293159 /nfs/dbraw/zinc/29/31/59/1377293159.db2.gz YCWWRQJKNRKVAR-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC(C)(C)C)CC1 ZINC001266853910 1377395327 /nfs/dbraw/zinc/39/53/27/1377395327.db2.gz WGSHVMRSTKEPMJ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C2CC2)cc1 ZINC001136541557 1377403438 /nfs/dbraw/zinc/40/34/38/1377403438.db2.gz FWXYRSKCXDMISI-FQEVSTJZSA-N 2 0 343.515 3.052 20 0 EGADRP CCCCN(C(=O)C1(C[NH+](C)C)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001136683496 1377415628 /nfs/dbraw/zinc/41/56/28/1377415628.db2.gz DQVBQRMMTNEFMT-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001136759337 1377420695 /nfs/dbraw/zinc/42/06/95/1377420695.db2.gz CMAYZWXJIHPNCZ-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001136759339 1377420796 /nfs/dbraw/zinc/42/07/96/1377420796.db2.gz CMAYZWXJIHPNCZ-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP c1csc(C[NH+]2CCC3(CC[NH+](Cc4c[nH]cn4)CC3)CC2)c1 ZINC001136868397 1377433277 /nfs/dbraw/zinc/43/32/77/1377433277.db2.gz FDQQBUOHRRIMQE-UHFFFAOYSA-N 2 0 330.501 3.349 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC3(C[NH+](CCCC(C)(C)C)C3)CC2)CC1 ZINC001268045533 1377484551 /nfs/dbraw/zinc/48/45/51/1377484551.db2.gz CREBVJLBVYDJPU-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138052073 1377671406 /nfs/dbraw/zinc/67/14/06/1377671406.db2.gz SOTBLJMHVPZJSJ-UHFFFAOYSA-N 2 0 349.828 3.038 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3cc(O)cc(O)c3)CC2)CC1 ZINC001138332444 1377704024 /nfs/dbraw/zinc/70/40/24/1377704024.db2.gz ANZODCXQUYCPAG-UHFFFAOYSA-N 2 0 332.488 3.432 20 0 EGADRP CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138770910 1377782453 /nfs/dbraw/zinc/78/24/53/1377782453.db2.gz WMSJQRSVDXVWDY-CTNGQTDRSA-N 2 0 346.515 3.266 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(Br)ccc4[nH]3)C[C@@H]2C1 ZINC001139182050 1377845534 /nfs/dbraw/zinc/84/55/34/1377845534.db2.gz JSNIRXLSZNTYRH-OCCSQVGLSA-N 2 0 348.288 3.314 20 0 EGADRP c1ccc(C[NH+]2CCN(c3ccccc3C[N@@H+]3C[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC001139512967 1377895357 /nfs/dbraw/zinc/89/53/57/1377895357.db2.gz AMYGTGONIZMYAQ-SZPZYZBQSA-N 2 0 347.506 3.461 20 0 EGADRP CC[N@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)C1CCN(C)CC1 ZINC001139537691 1377900366 /nfs/dbraw/zinc/90/03/66/1377900366.db2.gz CSIYHUIACJEJID-UHFFFAOYSA-N 2 0 340.393 3.498 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 ZINC001139540096 1377900503 /nfs/dbraw/zinc/90/05/03/1377900503.db2.gz CTQXQDOHUQNXJX-MRXNPFEDSA-N 2 0 338.377 3.109 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC001139670714 1377930881 /nfs/dbraw/zinc/93/08/81/1377930881.db2.gz IIWMARIDCIRQKE-KRWDZBQOSA-N 2 0 337.895 3.461 20 0 EGADRP CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139891080 1377972935 /nfs/dbraw/zinc/97/29/35/1377972935.db2.gz OQZWNELSGUWIEW-OXJNMPFZSA-N 2 0 328.431 3.131 20 0 EGADRP Cn1ncc2cc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)ccc21 ZINC001139951487 1377981466 /nfs/dbraw/zinc/98/14/66/1377981466.db2.gz WXAYVMUPNCCWDR-UHFFFAOYSA-N 2 0 326.488 3.127 20 0 EGADRP CCOc1ccc2[nH]cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001140266615 1378037809 /nfs/dbraw/zinc/03/78/09/1378037809.db2.gz FZRCMVJNRJRKCF-UHFFFAOYSA-N 2 0 336.439 3.284 20 0 EGADRP CCOc1ccc2[nH]cc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)c2c1 ZINC001140271969 1378038046 /nfs/dbraw/zinc/03/80/46/1378038046.db2.gz KYUHIZYXOWWPCH-UHFFFAOYSA-N 2 0 327.472 3.484 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140684195 1378113520 /nfs/dbraw/zinc/11/35/20/1378113520.db2.gz GYTNPSNNDDPORA-RBUKOAKNSA-N 2 0 340.467 3.116 20 0 EGADRP Cn1cnc2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc21 ZINC001140746704 1378128988 /nfs/dbraw/zinc/12/89/88/1378128988.db2.gz MDKFARWJHOGUHR-GOSISDBHSA-N 2 0 326.488 3.414 20 0 EGADRP Cc1nccnc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140939471 1378186055 /nfs/dbraw/zinc/18/60/55/1378186055.db2.gz MWAYPKSZBFBIQU-UXHICEINSA-N 2 0 336.483 3.129 20 0 EGADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(N4CCCCC4)nc3)(C1)CCC2 ZINC001276873586 1378190455 /nfs/dbraw/zinc/19/04/55/1378190455.db2.gz XDFMWDUCJYQNTQ-VQTJNVASSA-N 2 0 328.504 3.226 20 0 EGADRP c1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cccc4c[nH]nc42)CC3)c1 ZINC001279449470 1378308938 /nfs/dbraw/zinc/30/89/38/1378308938.db2.gz HAOBUCXBGDRYPE-UHFFFAOYSA-N 2 0 349.482 3.379 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2cc(Cl)ccc12 ZINC001141583396 1378346100 /nfs/dbraw/zinc/34/61/00/1378346100.db2.gz DWMBTYIECPMXCU-RBUKOAKNSA-N 2 0 346.906 3.032 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2cccnc2cc1F ZINC001141631070 1378353962 /nfs/dbraw/zinc/35/39/62/1378353962.db2.gz KELYURAWZMPAPB-UHFFFAOYSA-N 2 0 346.494 3.079 20 0 EGADRP CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC001141779425 1378374941 /nfs/dbraw/zinc/37/49/41/1378374941.db2.gz DGBLLUYHLLVYBC-VQTJNVASSA-N 2 0 345.531 3.088 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1c(C)ccc2ccccc21 ZINC001142380562 1378437788 /nfs/dbraw/zinc/43/77/88/1378437788.db2.gz VODUQDINSHFOQT-UHFFFAOYSA-N 2 0 342.483 3.465 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001146532686 1378861215 /nfs/dbraw/zinc/86/12/15/1378861215.db2.gz BZPSZHUFOKZYAX-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146534015 1378861284 /nfs/dbraw/zinc/86/12/84/1378861284.db2.gz IPUCRKBBFWOVMC-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146537210 1378863183 /nfs/dbraw/zinc/86/31/83/1378863183.db2.gz XGDVHMSKPIJENN-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583916 1378871325 /nfs/dbraw/zinc/87/13/25/1378871325.db2.gz PVSHQDWIUMSBAG-DLBZAZTESA-N 2 0 345.531 3.425 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)c1 ZINC001146591034 1378873855 /nfs/dbraw/zinc/87/38/55/1378873855.db2.gz FOPSWNWNQCOLHA-RBUKOAKNSA-N 2 0 347.547 3.325 20 0 EGADRP CCc1ccc(CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146599604 1378874409 /nfs/dbraw/zinc/87/44/09/1378874409.db2.gz CGDCCQNXMRZBCS-QZTJIDSGSA-N 2 0 347.547 3.005 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)CCCC[NH+]1CCCC1 ZINC001146699812 1378899963 /nfs/dbraw/zinc/89/99/63/1378899963.db2.gz CZWVCUIGDAPLBM-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001146933305 1378945030 /nfs/dbraw/zinc/94/50/30/1378945030.db2.gz GXYLVCPXYKKTDH-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC001147410176 1379015465 /nfs/dbraw/zinc/01/54/65/1379015465.db2.gz NKERKEQYVGGCMD-NRFANRHFSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCCCC1 ZINC001283611715 1379053095 /nfs/dbraw/zinc/05/30/95/1379053095.db2.gz JTZKLAQCGGBTCZ-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147841066 1379089306 /nfs/dbraw/zinc/08/93/06/1379089306.db2.gz JHYWFGLZDFHEIF-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001283692527 1379122336 /nfs/dbraw/zinc/12/23/36/1379122336.db2.gz JDZQIQUZPBXYAQ-MSOLQXFVSA-N 2 0 339.568 3.226 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386680 1379161907 /nfs/dbraw/zinc/16/19/07/1379161907.db2.gz YMORYJYOOUHWLF-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148524950 1379203000 /nfs/dbraw/zinc/20/30/00/1379203000.db2.gz XXNIOOWTNKCXKI-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833605 1379278731 /nfs/dbraw/zinc/27/87/31/1379278731.db2.gz CYIQHOCITJLBFQ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCCC1CCC1 ZINC001284128598 1379506817 /nfs/dbraw/zinc/50/68/17/1379506817.db2.gz NEVZDZQIAHSMKK-LPHOPBHVSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CCCC(C)(C)C)o1 ZINC001153266807 1380046600 /nfs/dbraw/zinc/04/66/00/1380046600.db2.gz SYGNSQLGSXJBTE-UHFFFAOYSA-N 2 0 337.508 3.267 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001153314621 1380054981 /nfs/dbraw/zinc/05/49/81/1380054981.db2.gz PIJDNSYTQPKFDO-LJQANCHMSA-N 2 0 345.531 3.336 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388254 1380068475 /nfs/dbraw/zinc/06/84/75/1380068475.db2.gz YGCGILYILVFCIC-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CCc1nccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCCC1 ZINC001153433141 1380075599 /nfs/dbraw/zinc/07/55/99/1380075599.db2.gz SLYOYEMXBKWIQX-IAGOWNOFSA-N 2 0 348.535 3.413 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153802305 1380132640 /nfs/dbraw/zinc/13/26/40/1380132640.db2.gz IUBBTHLBWBQHGU-FAPWYTRCSA-N 2 0 337.552 3.147 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819107 1380136167 /nfs/dbraw/zinc/13/61/67/1380136167.db2.gz NRCXHDDWFADKON-QZTJIDSGSA-N 2 0 325.541 3.266 20 0 EGADRP CC[N@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153929883 1380156864 /nfs/dbraw/zinc/15/68/64/1380156864.db2.gz AXJFUAQYMUDSNE-CHPDAQJUSA-N 2 0 339.568 3.226 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033709 1380187484 /nfs/dbraw/zinc/18/74/84/1380187484.db2.gz KHRCFMLKMWOGLG-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154463979 1380282474 /nfs/dbraw/zinc/28/24/74/1380282474.db2.gz AIHCRHYMZKYYGH-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+](C)C ZINC001154467036 1380282912 /nfs/dbraw/zinc/28/29/12/1380282912.db2.gz ZVGISKFINSJHFL-HBFSDRIKSA-N 2 0 345.531 3.367 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC001154465938 1380283142 /nfs/dbraw/zinc/28/31/42/1380283142.db2.gz PAENNZJDSJNEFA-CMKODMSKSA-N 2 0 345.531 3.224 20 0 EGADRP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001154785031 1380350813 /nfs/dbraw/zinc/35/08/13/1380350813.db2.gz WRWJRYRRIJCYRM-HKVOBHHDSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC001154825547 1380359188 /nfs/dbraw/zinc/35/91/88/1380359188.db2.gz RMOJCSVHQJUEIJ-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccc(C)cc1)[NH+](C)C ZINC001155288827 1380433663 /nfs/dbraw/zinc/43/36/63/1380433663.db2.gz AYJIIDLREAVJHL-QUCCMNQESA-N 2 0 347.547 3.094 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001155289765 1380433919 /nfs/dbraw/zinc/43/39/19/1380433919.db2.gz XTANHDICFJWFKL-PBHICJAKSA-N 2 0 339.911 3.007 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001155521104 1380463625 /nfs/dbraw/zinc/46/36/25/1380463625.db2.gz FGGCUTHNCXHTKN-HZPDHXFCSA-N 2 0 334.508 3.097 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631288 1380476856 /nfs/dbraw/zinc/47/68/56/1380476856.db2.gz LIDSKDSIXMKRFO-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CN(C)c1cccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001156315199 1380556915 /nfs/dbraw/zinc/55/69/15/1380556915.db2.gz LENLVMBBEAEFAC-GBESFXJTSA-N 2 0 336.483 3.470 20 0 EGADRP COc1cc2cc[nH+]c(NCC[C@@H]3CCC[N@H+](C)C3)c2cc1OC ZINC001156389429 1380570132 /nfs/dbraw/zinc/57/01/32/1380570132.db2.gz PYWRBUZYPIOMGU-AWEZNQCLSA-N 2 0 329.444 3.396 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1c(C)cc(C)cc1C ZINC001156525511 1380587995 /nfs/dbraw/zinc/58/79/95/1380587995.db2.gz RXUPZTBFHDRIAR-LJQANCHMSA-N 2 0 347.547 3.280 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001328103318 1388674105 /nfs/dbraw/zinc/67/41/05/1388674105.db2.gz SOXUQGSUZUMJSP-IEBWSBKVSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098657 1380774845 /nfs/dbraw/zinc/77/48/45/1380774845.db2.gz RIVLTPFIKZCFML-IHHMQQGQSA-N 2 0 337.552 3.435 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098658 1380775193 /nfs/dbraw/zinc/77/51/93/1380775193.db2.gz RIVLTPFIKZCFML-QULHZPMSSA-N 2 0 337.552 3.435 20 0 EGADRP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109043 1380777297 /nfs/dbraw/zinc/77/72/97/1380777297.db2.gz HIVWDRKUXHXNBH-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109042 1380777413 /nfs/dbraw/zinc/77/74/13/1380777413.db2.gz HIVWDRKUXHXNBH-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137870 1380784055 /nfs/dbraw/zinc/78/40/55/1380784055.db2.gz GJPPVKCNTYZCGC-QGZVFWFLSA-N 2 0 333.520 3.379 20 0 EGADRP C[N@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701877 1381008388 /nfs/dbraw/zinc/00/83/88/1381008388.db2.gz KQRYNBFVPDRYEJ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001157893814 1381063993 /nfs/dbraw/zinc/06/39/93/1381063993.db2.gz NNGVYOCOTDFKSB-UXHICEINSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]CC1CCCCCC1)[NH+]1CCCCC1 ZINC001158074292 1381121600 /nfs/dbraw/zinc/12/16/00/1381121600.db2.gz YTOHTIMGXJCVOQ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1C ZINC001158079709 1381122314 /nfs/dbraw/zinc/12/23/14/1381122314.db2.gz MYYXJRUXSWSGBN-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329519 1381202519 /nfs/dbraw/zinc/20/25/19/1381202519.db2.gz PGSZUHPIOWELBX-YSKLNCTFSA-N 2 0 335.536 3.140 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158411278 1381237731 /nfs/dbraw/zinc/23/77/31/1381237731.db2.gz DHXIURXJBYBJLP-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)c1 ZINC001158450205 1381249106 /nfs/dbraw/zinc/24/91/06/1381249106.db2.gz NZPNSWNJKFAKSL-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158474387 1381258069 /nfs/dbraw/zinc/25/80/69/1381258069.db2.gz YESSTEPMNANTJA-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480834 1381261431 /nfs/dbraw/zinc/26/14/31/1381261431.db2.gz RISQCZXRFGHDCQ-QZTJIDSGSA-N 2 0 339.568 3.323 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480239 1381261948 /nfs/dbraw/zinc/26/19/48/1381261948.db2.gz JTJXSYGDCSFFAT-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC001158624986 1381328764 /nfs/dbraw/zinc/32/87/64/1381328764.db2.gz IYZKCUNJOZXINM-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646221 1381335952 /nfs/dbraw/zinc/33/59/52/1381335952.db2.gz IGZBQDBNCHWAMB-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751116 1381383371 /nfs/dbraw/zinc/38/33/71/1381383371.db2.gz UCHHORALDNAICE-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2ccc(C[NH3+])c2)n1 ZINC001158766497 1381390277 /nfs/dbraw/zinc/39/02/77/1381390277.db2.gz ADFGKVGEPCZEJE-UHFFFAOYSA-N 2 0 343.500 3.399 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158853529 1381434620 /nfs/dbraw/zinc/43/46/20/1381434620.db2.gz ZQRHWCDPNDMIOJ-SFFCAUCYSA-N 2 0 335.536 3.142 20 0 EGADRP C[N@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866559 1381441197 /nfs/dbraw/zinc/44/11/97/1381441197.db2.gz RGNHHGCXPMOJRH-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909889 1381459635 /nfs/dbraw/zinc/45/96/35/1381459635.db2.gz ZEFQIHGFLZTFCG-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001158913776 1381461901 /nfs/dbraw/zinc/46/19/01/1381461901.db2.gz CGCASMQYHPIKHZ-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158923351 1381464972 /nfs/dbraw/zinc/46/49/72/1381464972.db2.gz XGCSWKMOJQUPQU-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001158923116 1381465265 /nfs/dbraw/zinc/46/52/65/1381465265.db2.gz OOXCVJRFVKHRDK-LJQANCHMSA-N 2 0 335.536 3.140 20 0 EGADRP Cc1cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc2[nH+]1 ZINC001159105034 1381586878 /nfs/dbraw/zinc/58/68/78/1381586878.db2.gz LOGSDTRWBVBAPD-UHFFFAOYSA-N 2 0 332.451 3.114 20 0 EGADRP c1cc(NC2=CC[C@@H]([NH+]3CCOCC3)CC2)cc(C2CC[NH2+]CC2)c1 ZINC001159764736 1381893365 /nfs/dbraw/zinc/89/33/65/1381893365.db2.gz PMTMSGDAZZHPAG-OAQYLSRUSA-N 2 0 341.499 3.334 20 0 EGADRP Fc1cc(NC=CC2CC[NH2+]CC2)ccc1OCC1CC[NH2+]CC1 ZINC001159881282 1381927300 /nfs/dbraw/zinc/92/73/00/1381927300.db2.gz TWTZNZABVKVBNF-KPKJPENVSA-N 2 0 333.451 3.129 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001159908247 1381934044 /nfs/dbraw/zinc/93/40/44/1381934044.db2.gz HSMHDVZVIMLQIC-AFMYVXGZSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001159909785 1381934274 /nfs/dbraw/zinc/93/42/74/1381934274.db2.gz NFYOOBPPZHNZGI-APWZRJJASA-N 2 0 349.494 3.246 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](CC)CC)cc1 ZINC001160110954 1381999653 /nfs/dbraw/zinc/99/96/53/1381999653.db2.gz HDCUUZNZWXDNQH-VQTJNVASSA-N 2 0 347.547 3.334 20 0 EGADRP [NH3+][C@@H]1CCN(c2c(F)cccc2NC2=CC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC001160117046 1382001983 /nfs/dbraw/zinc/00/19/83/1382001983.db2.gz ROVSEIPYPAHEMV-NVXWUHKLSA-N 2 0 344.478 3.307 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131956 1382009744 /nfs/dbraw/zinc/00/97/44/1382009744.db2.gz YCWDKJBKAZZKPM-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+]1CCC(COc2cccc(F)c2NC2=CCC[NH2+]CC2)CC1 ZINC001160134692 1382010109 /nfs/dbraw/zinc/01/01/09/1382010109.db2.gz IZPSGZBGOBKKNA-UHFFFAOYSA-N 2 0 333.451 3.226 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c1F ZINC001160142023 1382013921 /nfs/dbraw/zinc/01/39/21/1382013921.db2.gz SULHBENFSQEFFN-CQSZACIVSA-N 2 0 333.382 3.169 20 0 EGADRP C[NH+]1CCC(COc2ccc(NC=CC3CC[NH2+]CC3)cc2F)CC1 ZINC001160164604 1382022111 /nfs/dbraw/zinc/02/21/11/1382022111.db2.gz JFBCZNVVHUPGQY-IZZDOVSWSA-N 2 0 347.478 3.472 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001160175538 1382025302 /nfs/dbraw/zinc/02/53/02/1382025302.db2.gz XKVULKBBGFMCDV-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001160274226 1382058077 /nfs/dbraw/zinc/05/80/77/1382058077.db2.gz RIMZRDBIDGZZKH-UYAOXDASSA-N 2 0 343.515 3.034 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001160273201 1382058408 /nfs/dbraw/zinc/05/84/08/1382058408.db2.gz JJUXPDPLLLJJKU-MOPGFXCFSA-N 2 0 349.494 3.247 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NC(C)(C)c3ccncc3)c2)CC1 ZINC001160319282 1382072240 /nfs/dbraw/zinc/07/22/40/1382072240.db2.gz SAPGCPDXZDDNFV-UHFFFAOYSA-N 2 0 326.444 3.297 20 0 EGADRP CC(C)=CC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160359890 1382082606 /nfs/dbraw/zinc/08/26/06/1382082606.db2.gz FDQLGBIQMSQERQ-HXUWFJFHSA-N 2 0 347.547 3.354 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379833 1382087695 /nfs/dbraw/zinc/08/76/95/1382087695.db2.gz NWPXCTJGBUOJDZ-SFHVURJKSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399997 1382094156 /nfs/dbraw/zinc/09/41/56/1382094156.db2.gz IXIDVXCEHKSIPD-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400445 1382094699 /nfs/dbraw/zinc/09/46/99/1382094699.db2.gz QTGBRSKBPWEKRX-SGSXCFNPSA-N 2 0 347.547 3.356 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160407126 1382096115 /nfs/dbraw/zinc/09/61/15/1382096115.db2.gz XCEGHBLDLRPKBC-IBGZPJMESA-N 2 0 337.552 3.291 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406533 1382096293 /nfs/dbraw/zinc/09/62/93/1382096293.db2.gz PMHWJJBTAFURPG-UCFODXPJSA-N 2 0 335.536 3.067 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559384 1382141954 /nfs/dbraw/zinc/14/19/54/1382141954.db2.gz IBHBGNJYTDRULZ-UHFFFAOYSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160567652 1382144734 /nfs/dbraw/zinc/14/47/34/1382144734.db2.gz IDFHDKAGOPJALP-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N(C)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001160696067 1382173185 /nfs/dbraw/zinc/17/31/85/1382173185.db2.gz UDJAANVFRDYSCU-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP COc1cc2ccnc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c2cc1OC ZINC001160945829 1382246676 /nfs/dbraw/zinc/24/66/76/1382246676.db2.gz OACXEZOUPXJDSG-UHFFFAOYSA-N 2 0 348.406 3.092 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160957317 1382250890 /nfs/dbraw/zinc/25/08/90/1382250890.db2.gz QPBOJODPTFJDKR-ZULIPRJHSA-N 2 0 345.531 3.119 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)c1cc2c[nH]ccc-2n1)c1ccccc1F ZINC001160990075 1382263129 /nfs/dbraw/zinc/26/31/29/1382263129.db2.gz CWWISCZDAUQAQS-CYBMUJFWSA-N 2 0 340.402 3.173 20 0 EGADRP CCCC[C@H]([NH2+]C)C(=O)N1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001161046739 1382282966 /nfs/dbraw/zinc/28/29/66/1382282966.db2.gz PZPOVLUBOCMDRN-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC001161046556 1382283066 /nfs/dbraw/zinc/28/30/66/1382283066.db2.gz MYWGIWQMHTXBQT-HXUWFJFHSA-N 2 0 343.515 3.047 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219939 1382346305 /nfs/dbraw/zinc/34/63/05/1382346305.db2.gz RHYKWURRPDMOLU-KRWDZBQOSA-N 2 0 337.552 3.149 20 0 EGADRP Cn1ccc2c1cc[nH+]c2NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161243549 1382352335 /nfs/dbraw/zinc/35/23/35/1382352335.db2.gz UKTKDJLUZDWCMI-UHFFFAOYSA-N 2 0 335.455 3.292 20 0 EGADRP COCCC1(CNc2[nH+]ccc3cc(OC)ccc32)CC[NH2+]CC1 ZINC001161497370 1382423226 /nfs/dbraw/zinc/42/32/26/1382423226.db2.gz OBHWDQBMILUGEV-UHFFFAOYSA-N 2 0 329.444 3.062 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])C1CCCCC1)c1ccsc1 ZINC001328592391 1388785777 /nfs/dbraw/zinc/78/57/77/1388785777.db2.gz SMLVRKBNASHXBW-SJORKVTESA-N 2 0 337.533 3.155 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001294428701 1382456448 /nfs/dbraw/zinc/45/64/48/1382456448.db2.gz TXYQARSMYJQCCJ-UYAOXDASSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)c1 ZINC001161644108 1382468634 /nfs/dbraw/zinc/46/86/34/1382468634.db2.gz IALCXVMKIWTLBO-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161649490 1382470587 /nfs/dbraw/zinc/47/05/87/1382470587.db2.gz JUEWTLXIJNDUBC-UYAOXDASSA-N 2 0 345.531 3.272 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001161753209 1382494933 /nfs/dbraw/zinc/49/49/33/1382494933.db2.gz IISNORXXTQNOQQ-IBGZPJMESA-N 2 0 329.488 3.485 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001161856778 1382532573 /nfs/dbraw/zinc/53/25/73/1382532573.db2.gz FJOXNBJDJLKWID-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925077 1382556176 /nfs/dbraw/zinc/55/61/76/1382556176.db2.gz WBZYVKWWVQDSSA-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932930 1382558871 /nfs/dbraw/zinc/55/88/71/1382558871.db2.gz XXHKJDSESPIWMX-UHFFFAOYSA-N 2 0 335.536 3.191 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952131 1382567328 /nfs/dbraw/zinc/56/73/28/1382567328.db2.gz DKGAVPMZSHTOIP-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP [NH3+]CCN(c1cccc2ccccc21)c1c[nH+]ccc1N1CCOCC1 ZINC001162005430 1382596914 /nfs/dbraw/zinc/59/69/14/1382596914.db2.gz LGFMCXPZCBFTHZ-UHFFFAOYSA-N 2 0 348.450 3.168 20 0 EGADRP Cc1csc2c1nc(Cl)cc2NCCC[NH2+]CCCC[NH3+] ZINC001162292522 1382724016 /nfs/dbraw/zinc/72/40/16/1382724016.db2.gz PNMPNAJOVLXCTF-UHFFFAOYSA-N 2 0 326.897 3.389 20 0 EGADRP COCC[N@H+](C)Cc1ccnc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1 ZINC001162902584 1382910296 /nfs/dbraw/zinc/91/02/96/1382910296.db2.gz JMLJUVSTVUVFID-HNNXBMFYSA-N 2 0 338.455 3.123 20 0 EGADRP CC(C)CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162911273 1382914135 /nfs/dbraw/zinc/91/41/35/1382914135.db2.gz KOAPRUSNMIAUNX-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]c1ccc3[nH]c(=O)cc-3[nH]1)CC21CC[NH2+]CC1 ZINC001163033363 1382951712 /nfs/dbraw/zinc/95/17/12/1382951712.db2.gz DPPLJNBQRRLDJL-SFHVURJKSA-N 2 0 348.450 3.063 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nccc2cc(F)c(Cl)cc21 ZINC001163128841 1382972401 /nfs/dbraw/zinc/97/24/01/1382972401.db2.gz CTFDICJMOLLPBV-UHFFFAOYSA-N 2 0 337.830 3.305 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCCC(C)(C)C)CCCCC1 ZINC001163242914 1383003254 /nfs/dbraw/zinc/00/32/54/1383003254.db2.gz OVLNBYGWYRBPAC-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC(C)CCC[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163274986 1383010473 /nfs/dbraw/zinc/01/04/73/1383010473.db2.gz MHKIXJAZCKVWFV-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163274616 1383011005 /nfs/dbraw/zinc/01/10/05/1383011005.db2.gz ACEDCYHEXCBKFI-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CCN(C)c1cc(C)[nH+]c(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC001163311410 1383018463 /nfs/dbraw/zinc/01/84/63/1383018463.db2.gz DGQUBNRCKISLMY-QGZVFWFLSA-N 2 0 343.519 3.474 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(N[C@H]3CC[N@@H+](C(C)C)C[C@@H]3C)[nH+]cc21 ZINC001163366649 1383032819 /nfs/dbraw/zinc/03/28/19/1383032819.db2.gz WAAVFGGLPHZILL-BBRMVZONSA-N 2 0 344.459 3.270 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001164455590 1383188430 /nfs/dbraw/zinc/18/84/30/1383188430.db2.gz DKUMSFXVAQAJOR-WMZOPIPTSA-N 2 0 349.494 3.105 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001164577874 1383201372 /nfs/dbraw/zinc/20/13/72/1383201372.db2.gz VXPDAFORTVIHKT-OTWHNJEPSA-N 2 0 345.531 3.191 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H](C(F)F)C3)c2)CC1 ZINC001165085518 1383224939 /nfs/dbraw/zinc/22/49/39/1383224939.db2.gz DBPQEKPRMLLTPE-CYBMUJFWSA-N 2 0 325.403 3.036 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNc2c[nH+]c3cccc(Br)n23)C1 ZINC001165289611 1383267165 /nfs/dbraw/zinc/26/71/65/1383267165.db2.gz GTJNWZMUIMGFAC-LBPRGKRZSA-N 2 0 337.265 3.241 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001165670597 1383322617 /nfs/dbraw/zinc/32/26/17/1383322617.db2.gz TXAVMWIHZAXTMX-OAHLLOKOSA-N 2 0 342.487 3.089 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165993042 1383374558 /nfs/dbraw/zinc/37/45/58/1383374558.db2.gz OYTLXSGNWJKYNC-ONEGZZNKSA-N 2 0 340.471 3.180 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CCC1CCCCC1)[NH+](CC)CC ZINC001166439937 1383422510 /nfs/dbraw/zinc/42/25/10/1383422510.db2.gz MPNXUSASTUGEJX-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC/C=C\c1ccccc1)[NH+](CC)CC ZINC001166448534 1383423749 /nfs/dbraw/zinc/42/37/49/1383423749.db2.gz VLLNDOXNICLHEP-CKOFDZGGSA-N 2 0 345.531 3.306 20 0 EGADRP c1c2ccccc2n(-c2nccc(C3CC[NH2+]CC3)n2)c1[C@H]1CCC[NH2+]1 ZINC001166657153 1383454396 /nfs/dbraw/zinc/45/43/96/1383454396.db2.gz WRJDMJUJRWKSTO-GOSISDBHSA-N 2 0 347.466 3.312 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167051713 1383527941 /nfs/dbraw/zinc/52/79/41/1383527941.db2.gz ZGDZTBNIVZTQMS-CNZFZVQHSA-N 2 0 337.552 3.195 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1ccccc1 ZINC001167224456 1383569854 /nfs/dbraw/zinc/56/98/54/1383569854.db2.gz KPTJKOGLQMQNED-QZTJIDSGSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167224260 1383570251 /nfs/dbraw/zinc/57/02/51/1383570251.db2.gz IETZTPUZDDLTHW-SFHVURJKSA-N 2 0 347.547 3.237 20 0 EGADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1)CC(C)(C)C ZINC001167240555 1383573077 /nfs/dbraw/zinc/57/30/77/1383573077.db2.gz NOEOJAGDJLZZLI-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001167251388 1383575117 /nfs/dbraw/zinc/57/51/17/1383575117.db2.gz SPSZFRRMNRMTNA-YJBOKZPZSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466154 1383640403 /nfs/dbraw/zinc/64/04/03/1383640403.db2.gz DOXCVNSKMZFUPW-QZTJIDSGSA-N 2 0 339.568 3.275 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](C(C)(C)CC)CC1)c1ccccc1 ZINC001300140367 1383648010 /nfs/dbraw/zinc/64/80/10/1383648010.db2.gz FCSLQBDMNASSEJ-LJQANCHMSA-N 2 0 345.531 3.402 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)CC1 ZINC001167522916 1383657966 /nfs/dbraw/zinc/65/79/66/1383657966.db2.gz HCMIASRDGFNIMB-UHFFFAOYSA-N 2 0 347.547 3.095 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001167619830 1383690607 /nfs/dbraw/zinc/69/06/07/1383690607.db2.gz KYTWEPMSJSKOTE-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001167694895 1383713629 /nfs/dbraw/zinc/71/36/29/1383713629.db2.gz ZJSBUBGUOBLNPR-LJQANCHMSA-N 2 0 349.563 3.483 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC1(C[NH2+]CC2CC2)CC1 ZINC001167705336 1383716744 /nfs/dbraw/zinc/71/67/44/1383716744.db2.gz ITPMVHLRJKTJSS-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001167737222 1383725919 /nfs/dbraw/zinc/72/59/19/1383725919.db2.gz OVRZOYNMILGWEL-IBGZPJMESA-N 2 0 349.563 3.175 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742813 1383727702 /nfs/dbraw/zinc/72/77/02/1383727702.db2.gz YGERHRDVAUEESU-CQQBRXBZSA-N 2 0 349.563 3.339 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784422 1383740831 /nfs/dbraw/zinc/74/08/31/1383740831.db2.gz SFZTVKGQXKUIEM-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC001167826035 1383750452 /nfs/dbraw/zinc/75/04/52/1383750452.db2.gz MBXAZVSAAHXUQE-GOSISDBHSA-N 2 0 335.511 3.454 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2ncncc2C)C1 ZINC001167833896 1383753013 /nfs/dbraw/zinc/75/30/13/1383753013.db2.gz FLLFQAHLWJTNRK-ZWKOTPCHSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC001167833426 1383753592 /nfs/dbraw/zinc/75/35/92/1383753592.db2.gz BDQMWWBPKLWTOJ-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001167835890 1383754445 /nfs/dbraw/zinc/75/44/45/1383754445.db2.gz VLXOVGFUWIGQLK-KRWDZBQOSA-N 2 0 325.541 3.076 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1ncccc1C)C1CC[NH2+]CC1 ZINC001167836386 1383754790 /nfs/dbraw/zinc/75/47/90/1383754790.db2.gz ZDHPTULVWHTSFW-SFHVURJKSA-N 2 0 332.536 3.459 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2cc(C)ncn2)C1 ZINC001167836254 1383754926 /nfs/dbraw/zinc/75/49/26/1383754926.db2.gz YKGMGZJBCBNWKR-ROUUACIJSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001167838749 1383755667 /nfs/dbraw/zinc/75/56/67/1383755667.db2.gz WKDSNWBBKFYHJF-LJQANCHMSA-N 2 0 332.536 3.413 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)n1ncc2cc(N3CC[NH2+]CC3)ccc21 ZINC001167838174 1383756200 /nfs/dbraw/zinc/75/62/00/1383756200.db2.gz RFUDZJZBZGFBAN-QGZVFWFLSA-N 2 0 343.519 3.129 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916810 1383772829 /nfs/dbraw/zinc/77/28/29/1383772829.db2.gz RPOFRLLGNUQMMI-LJQANCHMSA-N 2 0 329.488 3.485 20 0 EGADRP COC(=O)C12CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)(CC1)CC2 ZINC001167958993 1383779101 /nfs/dbraw/zinc/77/91/01/1383779101.db2.gz MANAECDJLDWZKX-CIZJQDALSA-N 2 0 346.515 3.247 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167963814 1383780858 /nfs/dbraw/zinc/78/08/58/1383780858.db2.gz FJKWBLLZBXHBIO-DYDDAFRHSA-N 2 0 349.519 3.037 20 0 EGADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](CC3CCCC3)C1)C2 ZINC001167974852 1383783969 /nfs/dbraw/zinc/78/39/69/1383783969.db2.gz CBQSKLJKXWXPER-UDEWTMQYSA-N 2 0 331.548 3.246 20 0 EGADRP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995832 1383791464 /nfs/dbraw/zinc/79/14/64/1383791464.db2.gz RIGSZGILZNTIMJ-XNHLSEOASA-N 2 0 334.504 3.055 20 0 EGADRP C[N@@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1c1ccccc1 ZINC001167995337 1383792197 /nfs/dbraw/zinc/79/21/97/1383792197.db2.gz BBEQKJNULQXFPF-PJEZACDQSA-N 2 0 339.527 3.381 20 0 EGADRP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995498 1383792259 /nfs/dbraw/zinc/79/22/59/1383792259.db2.gz HRQHQKOYXFUZLV-KAKFPZCNSA-N 2 0 348.531 3.446 20 0 EGADRP Cc1ccc(O[C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)nc1 ZINC001168002816 1383792945 /nfs/dbraw/zinc/79/29/45/1383792945.db2.gz ZIRPGWKSMKRUMY-XNMUZJSGSA-N 2 0 341.499 3.249 20 0 EGADRP C[C@H]1CC(N(CC[NH3+])c2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017417 1383797402 /nfs/dbraw/zinc/79/74/02/1383797402.db2.gz AIDHYNZDNIQIOA-ROUUACIJSA-N 2 0 338.499 3.288 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030578 1383799841 /nfs/dbraw/zinc/79/98/41/1383799841.db2.gz QGJQCICWMLNKJF-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030364 1383800200 /nfs/dbraw/zinc/80/02/00/1383800200.db2.gz NQDGTZRTKJYKIW-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039264 1383802021 /nfs/dbraw/zinc/80/20/21/1383802021.db2.gz CORSHCHCLZEEPI-WKRCXCSHSA-N 2 0 329.532 3.358 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039261 1383802070 /nfs/dbraw/zinc/80/20/70/1383802070.db2.gz CORSHCHCLZEEPI-IAVZTARUSA-N 2 0 329.532 3.358 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168055846 1383805873 /nfs/dbraw/zinc/80/58/73/1383805873.db2.gz YCJXRRJFDCELOT-KOUHRCEDSA-N 2 0 329.532 3.454 20 0 EGADRP CCOC(=O)CC[N@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168064714 1383808100 /nfs/dbraw/zinc/80/81/00/1383808100.db2.gz RLQOZKVXLPGESE-IAGOWNOFSA-N 2 0 332.488 3.313 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC001168305349 1383868305 /nfs/dbraw/zinc/86/83/05/1383868305.db2.gz IOTGTHWCVJLTTM-UHFFFAOYSA-N 2 0 334.479 3.380 20 0 EGADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001168315759 1383871199 /nfs/dbraw/zinc/87/11/99/1383871199.db2.gz NOICXJYYXIJHSW-BDWAOYLISA-N 2 0 329.532 3.454 20 0 EGADRP CCOC(=O)[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H]2CCCC[C@@H]12 ZINC001168319039 1383871560 /nfs/dbraw/zinc/87/15/60/1383871560.db2.gz MJCVHFBGVCWNAG-VVUWUOFOSA-N 2 0 336.520 3.161 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(Oc3cccc(Cl)n3)CC2)CC1 ZINC001168329234 1383873827 /nfs/dbraw/zinc/87/38/27/1383873827.db2.gz QYBWVCCLYOXJFM-UHFFFAOYSA-N 2 0 337.895 3.451 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168335834 1383876630 /nfs/dbraw/zinc/87/66/30/1383876630.db2.gz VVWZWKIUOLJVEN-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP COc1ccc(CC[N@H+](C)C2CC[NH+](CC3CC3)CC2)cc1OC ZINC001168373860 1383888438 /nfs/dbraw/zinc/88/84/38/1383888438.db2.gz WAGQJDUVWIFBDX-UHFFFAOYSA-N 2 0 332.488 3.053 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168389569 1383892521 /nfs/dbraw/zinc/89/25/21/1383892521.db2.gz RXGBHJLCIYPVJH-NRFANRHFSA-N 2 0 341.543 3.457 20 0 EGADRP Fc1ccc(N2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168395179 1383894949 /nfs/dbraw/zinc/89/49/49/1383894949.db2.gz PDAUQOWUDMSTIX-UHFFFAOYSA-N 2 0 331.479 3.212 20 0 EGADRP Fc1ccc2c(c1)CC[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001168416346 1383901322 /nfs/dbraw/zinc/90/13/22/1383901322.db2.gz XENRVKFBWURATQ-HXUWFJFHSA-N 2 0 346.490 3.164 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+]C3CCC([NH+](C)C)CC3)CCO2)cc1 ZINC001168600988 1383945931 /nfs/dbraw/zinc/94/59/31/1383945931.db2.gz NHYCSIYXGJOKOW-CBJHCWRLSA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([N@H+](C)CC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168653029 1383959121 /nfs/dbraw/zinc/95/91/21/1383959121.db2.gz LENIVMYLPYYCEN-QUCCMNQESA-N 2 0 332.488 3.189 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)C(C)C ZINC001168667531 1383964878 /nfs/dbraw/zinc/96/48/78/1383964878.db2.gz WDTXYXIFKDDGAJ-PMACEKPBSA-N 2 0 345.531 3.136 20 0 EGADRP COC(=O)C1(C)CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001168762292 1383994684 /nfs/dbraw/zinc/99/46/84/1383994684.db2.gz QFFHIHUPGCYJCU-UHFFFAOYSA-N 2 0 336.520 3.353 20 0 EGADRP [NH3+]Cc1ccc2ncn(-c3cccc4c3C3(C=C4)CC[NH2+]CC3)c2c1 ZINC001168843695 1384031464 /nfs/dbraw/zinc/03/14/64/1384031464.db2.gz CEKNFLCQRSMQIC-UHFFFAOYSA-N 2 0 330.435 3.132 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001169116979 1384109197 /nfs/dbraw/zinc/10/91/97/1384109197.db2.gz VJSMUVMHCGZENI-ACDBMABISA-N 2 0 346.490 3.380 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCC3CCOCC3)cc1)C2 ZINC001169115748 1384109307 /nfs/dbraw/zinc/10/93/07/1384109307.db2.gz OBGIRIMXTPPZMY-ACDBMABISA-N 2 0 344.499 3.207 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(c3ccccc3Cl)CC1)C2 ZINC001169118753 1384109558 /nfs/dbraw/zinc/10/95/58/1384109558.db2.gz MXYVGDHNTOVGGT-MUJYYYPQSA-N 2 0 333.907 3.215 20 0 EGADRP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123017 1384110485 /nfs/dbraw/zinc/11/04/85/1384110485.db2.gz HJAXLDCLTDVGNX-NXOAAHMSSA-N 2 0 339.524 3.141 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124820 1384110572 /nfs/dbraw/zinc/11/05/72/1384110572.db2.gz UIMCXLVBKFQGGG-BLCKVISQSA-N 2 0 341.543 3.359 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129936 1384110848 /nfs/dbraw/zinc/11/08/48/1384110848.db2.gz MGMWMQWUGJWBJV-CLWJZODNSA-N 2 0 349.519 3.087 20 0 EGADRP C[NH+](C)CCCOc1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cn1 ZINC001169151414 1384115559 /nfs/dbraw/zinc/11/55/59/1384115559.db2.gz JHYCLDKTUPTZBY-YLJYHZDGSA-N 2 0 348.535 3.368 20 0 EGADRP C[N@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169152973 1384115826 /nfs/dbraw/zinc/11/58/26/1384115826.db2.gz GVKWWRSRPLWDBG-WKCHPHFGSA-N 2 0 345.506 3.347 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1 ZINC001308327724 1384119365 /nfs/dbraw/zinc/11/93/65/1384119365.db2.gz UMJQBWZDBUXLRI-BDTNDASRSA-N 2 0 336.479 3.303 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC001308344368 1384120636 /nfs/dbraw/zinc/12/06/36/1384120636.db2.gz GYTNQMADNNTNAB-QFIPXVFZSA-N 2 0 338.495 3.496 20 0 EGADRP CC[NH+]1CCC([NH2+]Cc2cccc(CC(=O)OC(C)(C)C)c2)CC1 ZINC001169244748 1384126698 /nfs/dbraw/zinc/12/66/98/1384126698.db2.gz VCZIRJXIKJCPLS-UHFFFAOYSA-N 2 0 332.488 3.145 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC001308476773 1384127845 /nfs/dbraw/zinc/12/78/45/1384127845.db2.gz SVRQRXRLJWOEFD-OAQYLSRUSA-N 2 0 346.515 3.456 20 0 EGADRP CC[NH+]1CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130378 /nfs/dbraw/zinc/13/03/78/1384130378.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 2 0 341.543 3.315 20 0 EGADRP O=C(OC1CCC([NH2+]CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC001169268157 1384130445 /nfs/dbraw/zinc/13/04/45/1384130445.db2.gz IIDYPPNYIWIGGI-UHFFFAOYSA-N 2 0 330.472 3.230 20 0 EGADRP CC[NH+]1C[C@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001169306799 1384134458 /nfs/dbraw/zinc/13/44/58/1384134458.db2.gz FVRBEVUFDLYPLW-VCAKUFKGSA-N 2 0 342.483 3.038 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)CC1 ZINC001308721086 1384144514 /nfs/dbraw/zinc/14/45/14/1384144514.db2.gz AZAUTGYYRRDCFX-UHFFFAOYSA-N 2 0 330.516 3.036 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1C[C@H]1c1ccccc1 ZINC001308740818 1384146142 /nfs/dbraw/zinc/14/61/42/1384146142.db2.gz OMRQWTNVWPWEDR-NJYVYQBISA-N 2 0 329.532 3.138 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001169483533 1384153113 /nfs/dbraw/zinc/15/31/13/1384153113.db2.gz DRSVMGNTTAZOGC-ICSRJNTNSA-N 2 0 345.531 3.087 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001169483531 1384153159 /nfs/dbraw/zinc/15/31/59/1384153159.db2.gz DRSVMGNTTAZOGC-AZUAARDMSA-N 2 0 345.531 3.087 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169542433 1384157705 /nfs/dbraw/zinc/15/77/05/1384157705.db2.gz VTXWNSQLKHHJAU-YQVWRLOYSA-N 2 0 345.531 3.180 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@H]([NH+](CC)CC)CC2)CC1 ZINC001169679977 1384172813 /nfs/dbraw/zinc/17/28/13/1384172813.db2.gz VHHBBEQCOVFVDT-BZSNNMDCSA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)(C)C[NH+]1CCC([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169984115 1384211147 /nfs/dbraw/zinc/21/11/47/1384211147.db2.gz DWQMSSYRFZYUBM-UHFFFAOYSA-N 2 0 325.541 3.497 20 0 EGADRP C[C@H](Cc1ccccc1Cl)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001170283908 1384282449 /nfs/dbraw/zinc/28/24/49/1384282449.db2.gz BPIDINPHQWTXEG-QGZVFWFLSA-N 2 0 339.955 3.476 20 0 EGADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170847715 1384397756 /nfs/dbraw/zinc/39/77/56/1384397756.db2.gz FNABCKQKAMOPEK-MRXNPFEDSA-N 2 0 325.294 3.367 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1 ZINC001170898509 1384407800 /nfs/dbraw/zinc/40/78/00/1384407800.db2.gz ORPMMCLUYHYUOL-CQSZACIVSA-N 2 0 340.349 3.083 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1nc2c(Cl)cc(Cl)cc2nc1Cl ZINC001170899492 1384408077 /nfs/dbraw/zinc/40/80/77/1384408077.db2.gz ZILMYIJBAMTFLM-VIFPVBQESA-N 2 0 334.638 3.026 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171069794 1384441082 /nfs/dbraw/zinc/44/10/82/1384441082.db2.gz VLUKFTKRMJYWDY-HNNXBMFYSA-N 2 0 339.549 3.344 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235135 1384476204 /nfs/dbraw/zinc/47/62/04/1384476204.db2.gz FHFBQIPYGXVKEO-QGZVFWFLSA-N 2 0 335.536 3.236 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171236021 1384476614 /nfs/dbraw/zinc/47/66/14/1384476614.db2.gz JYQOQUPFWLIGQA-QGZVFWFLSA-N 2 0 325.541 3.316 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247942 1384477732 /nfs/dbraw/zinc/47/77/32/1384477732.db2.gz PEJBAYVDDNQGGR-WMZOPIPTSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001171246018 1384477769 /nfs/dbraw/zinc/47/77/69/1384477769.db2.gz DDVXUBDRITUSBO-PXNSSMCTSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171248494 1384478247 /nfs/dbraw/zinc/47/82/47/1384478247.db2.gz VWHBEAARXRDBCJ-RBUKOAKNSA-N 2 0 337.552 3.480 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171248355 1384478289 /nfs/dbraw/zinc/47/82/89/1384478289.db2.gz TULRUSGHGXPWSR-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254461 1384479874 /nfs/dbraw/zinc/47/98/74/1384479874.db2.gz RMBZJJJVKJQUGG-ROUUACIJSA-N 2 0 339.568 3.418 20 0 EGADRP COc1ccc(Cl)c2c1C[C@@H]([N@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC001171324458 1384495074 /nfs/dbraw/zinc/49/50/74/1384495074.db2.gz YVWYVPGHRKJKAZ-HNNXBMFYSA-N 2 0 336.907 3.480 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330816 1384496209 /nfs/dbraw/zinc/49/62/09/1384496209.db2.gz VIOFDZFBLFRSQU-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508580 1384545863 /nfs/dbraw/zinc/54/58/63/1384545863.db2.gz GFTGMLAYHJAVCN-SFHVURJKSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171538914 1384556362 /nfs/dbraw/zinc/55/63/62/1384556362.db2.gz PPWGQYAYDORALD-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)CC1 ZINC001171544749 1384558821 /nfs/dbraw/zinc/55/88/21/1384558821.db2.gz ZGSVXTZUIIUTJT-CQSZACIVSA-N 2 0 338.417 3.379 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171545694 1384558998 /nfs/dbraw/zinc/55/89/98/1384558998.db2.gz FWCPBUKWPIVKDT-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])C2 ZINC001171559825 1384562329 /nfs/dbraw/zinc/56/23/29/1384562329.db2.gz ODHWEAGLSDTOBR-SFHVURJKSA-N 2 0 331.548 3.328 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1(C)C ZINC001171622999 1384583408 /nfs/dbraw/zinc/58/34/08/1384583408.db2.gz GHPSCTILDFARRH-MRXNPFEDSA-N 2 0 326.431 3.239 20 0 EGADRP COc1ccnc(C2(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)c1 ZINC001171626944 1384584923 /nfs/dbraw/zinc/58/49/23/1384584923.db2.gz ICONZIALLVVQNE-UHFFFAOYSA-N 2 0 331.504 3.363 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)CC1(C)C ZINC001171631605 1384586373 /nfs/dbraw/zinc/58/63/73/1384586373.db2.gz KWLVHFTUFFLGHY-ZIAGYGMSSA-N 2 0 336.442 3.273 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCCN(c3ccccn3)CC2)CC1(C)C ZINC001171631962 1384586450 /nfs/dbraw/zinc/58/64/50/1384586450.db2.gz REHBSISEZFPHOF-UHFFFAOYSA-N 2 0 330.520 3.245 20 0 EGADRP C[NH+]1C(C)(C)CC(n2nc(COCC3CC3)c3c2C[NH2+]C3)CC1(C)C ZINC001171635164 1384587862 /nfs/dbraw/zinc/58/78/62/1384587862.db2.gz PHAPCEVGFMNONR-UHFFFAOYSA-N 2 0 346.519 3.237 20 0 EGADRP C[NH+]1C(C)(C)CC([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC1(C)C ZINC001171639614 1384588740 /nfs/dbraw/zinc/58/87/40/1384588740.db2.gz QIVAQHHGTLKIPB-UHFFFAOYSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171646021 1384591069 /nfs/dbraw/zinc/59/10/69/1384591069.db2.gz HBJDTXVUWRBYLP-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683971 1384601529 /nfs/dbraw/zinc/60/15/29/1384601529.db2.gz QVUHBCNCLYKYAG-CGZBRXJRSA-N 2 0 342.487 3.259 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683460 1384601672 /nfs/dbraw/zinc/60/16/72/1384601672.db2.gz JXKICASKXCHJOT-HNNXBMFYSA-N 2 0 328.460 3.013 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001171732124 1384618335 /nfs/dbraw/zinc/61/83/35/1384618335.db2.gz WKELONZUSLNTQD-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP Fc1cccc2c1C[C@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001171804970 1384643060 /nfs/dbraw/zinc/64/30/60/1384643060.db2.gz IVQFJWROXFXERI-HSALFYBXSA-N 2 0 336.454 3.357 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812237 1384646749 /nfs/dbraw/zinc/64/67/49/1384646749.db2.gz NENSORUADTUFNS-MRXNPFEDSA-N 2 0 330.476 3.259 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171918216 1384681571 /nfs/dbraw/zinc/68/15/71/1384681571.db2.gz MTQYUDXBXFBPDU-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171923217 1384683134 /nfs/dbraw/zinc/68/31/34/1384683134.db2.gz DQBCFEWQNHCCTB-SFHVURJKSA-N 2 0 347.547 3.325 20 0 EGADRP CC1(C)C[C@H](NCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964609 1384697566 /nfs/dbraw/zinc/69/75/66/1384697566.db2.gz GVFOIVKPLFNJRZ-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP COC(=O)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979641 1384702740 /nfs/dbraw/zinc/70/27/40/1384702740.db2.gz MSIFNUOCWPGDSM-GOSISDBHSA-N 2 0 332.488 3.363 20 0 EGADRP Cc1nc2c(n1[C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C[NH2+]CC2 ZINC001171987803 1384704997 /nfs/dbraw/zinc/70/49/97/1384704997.db2.gz KASBRJFHRDCVLK-GOSISDBHSA-N 2 0 338.499 3.453 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987317 1384705662 /nfs/dbraw/zinc/70/56/62/1384705662.db2.gz UFQLTCSOTJXBND-RBBKRZOGSA-N 2 0 341.543 3.457 20 0 EGADRP C[NH+]1CC2(C1)CCN([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987390 1384706273 /nfs/dbraw/zinc/70/62/73/1384706273.db2.gz UOKWPAZIMPIUDY-FQEVSTJZSA-N 2 0 341.543 3.457 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172004927 1384708415 /nfs/dbraw/zinc/70/84/15/1384708415.db2.gz LJCWUBPHMBXEEU-SNRMKQJTSA-N 2 0 333.520 3.044 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001316937181 1384708706 /nfs/dbraw/zinc/70/87/06/1384708706.db2.gz KHRJPFDGSFIQJZ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCOC(=O)[C@H](C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065000 1384716417 /nfs/dbraw/zinc/71/64/17/1384716417.db2.gz GYZAWOYPEQZPKO-AFYVEPGGSA-N 2 0 344.499 3.361 20 0 EGADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065411 1384716450 /nfs/dbraw/zinc/71/64/50/1384716450.db2.gz MMJICSWAEGLMMS-YCKXBTPASA-N 2 0 342.483 3.113 20 0 EGADRP CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172071972 1384717940 /nfs/dbraw/zinc/71/79/40/1384717940.db2.gz JWEMVAFVNZKJNQ-UVBQOVKKSA-N 2 0 343.515 3.062 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+](C4CC4)CC2)C3)cc1 ZINC001172080052 1384721101 /nfs/dbraw/zinc/72/11/01/1384721101.db2.gz SLCMBISTOYGUJS-KOUNCHBCSA-N 2 0 339.527 3.352 20 0 EGADRP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)[NH3+])C2 ZINC001172088866 1384724961 /nfs/dbraw/zinc/72/49/61/1384724961.db2.gz NJFJEWVFRCEELJ-QKDCVEJESA-N 2 0 339.524 3.413 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001172100231 1384727308 /nfs/dbraw/zinc/72/73/08/1384727308.db2.gz BOUDGGDYKJLJGT-WOZUAGRISA-N 2 0 327.516 3.428 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C2 ZINC001172109081 1384727850 /nfs/dbraw/zinc/72/78/50/1384727850.db2.gz ARUKSEQHKYMRIK-PHZGNYQRSA-N 2 0 337.508 3.039 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CCC[NH+]1Cc1ccccc1)C2 ZINC001172110987 1384730240 /nfs/dbraw/zinc/73/02/40/1384730240.db2.gz NKHYTZYXXVBFPS-WOZUAGRISA-N 2 0 327.516 3.256 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172204349 1384747756 /nfs/dbraw/zinc/74/77/56/1384747756.db2.gz ZUYZTFAMTWFAKI-IBGZPJMESA-N 2 0 347.572 3.053 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235470 1384753691 /nfs/dbraw/zinc/75/36/91/1384753691.db2.gz GZQYWXUIVLTEHE-LJRDSGNISA-N 2 0 330.447 3.384 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H](C)CCO[C@H](C)CC)CC1 ZINC001172352812 1384775311 /nfs/dbraw/zinc/77/53/11/1384775311.db2.gz JXHGZJQGQRDPEN-VQTJNVASSA-N 2 0 341.584 3.320 20 0 EGADRP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C[C@H]1C ZINC001172374925 1384780117 /nfs/dbraw/zinc/78/01/17/1384780117.db2.gz QFBZLEHNQIBLJC-YCXYWVQESA-N 2 0 334.548 3.491 20 0 EGADRP CC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001172401287 1384785098 /nfs/dbraw/zinc/78/50/98/1384785098.db2.gz LSWUVGDPOWBLQA-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP CCOCC[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001172417469 1384787936 /nfs/dbraw/zinc/78/79/36/1384787936.db2.gz OLEDSCDOUJLFLQ-KRWDZBQOSA-N 2 0 327.472 3.480 20 0 EGADRP CC(C)[NH+]1CCN(CC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172543789 1384810045 /nfs/dbraw/zinc/81/00/45/1384810045.db2.gz UAEUTDWAJQRJOX-NHCUHLMSSA-N 2 0 329.532 3.328 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[N@H+](C)CCCC3CCC3)C2)CC1 ZINC001317040078 1384812647 /nfs/dbraw/zinc/81/26/47/1384812647.db2.gz WHZWUKTXAMHNCZ-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317040829 1384813504 /nfs/dbraw/zinc/81/35/04/1384813504.db2.gz AFNHJOYHGKXSQC-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665803 1384829752 /nfs/dbraw/zinc/82/97/52/1384829752.db2.gz NXBLWAAKADYTFY-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172667289 1384830381 /nfs/dbraw/zinc/83/03/81/1384830381.db2.gz DSDSSFHYVKRINQ-UXHICEINSA-N 2 0 343.515 3.019 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001172781395 1384850762 /nfs/dbraw/zinc/85/07/62/1384850762.db2.gz WYWOOCZWRLOTDE-MAUKXSAKSA-N 2 0 348.462 3.197 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001172792959 1384852837 /nfs/dbraw/zinc/85/28/37/1384852837.db2.gz VMBHZUSMEXKRPL-QYZOEREBSA-N 2 0 336.520 3.449 20 0 EGADRP C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172847890 1384865628 /nfs/dbraw/zinc/86/56/28/1384865628.db2.gz OFFZPRCZDFDOHV-IHRRRGAJSA-N 2 0 340.870 3.381 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172866764 1384868439 /nfs/dbraw/zinc/86/84/39/1384868439.db2.gz XETYKKNHXMOHRK-CYBMUJFWSA-N 2 0 340.870 3.111 20 0 EGADRP CO[C@@H]1CCC[C@@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)C1 ZINC001172929039 1384881136 /nfs/dbraw/zinc/88/11/36/1384881136.db2.gz NBKOTDNUCJKYNS-JGUPTHKFSA-N 2 0 336.460 3.080 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC001172952564 1384888428 /nfs/dbraw/zinc/88/84/28/1384888428.db2.gz GQPBODOBTBPTAP-IRXDYDNUSA-N 2 0 341.540 3.486 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001172965126 1384891917 /nfs/dbraw/zinc/89/19/17/1384891917.db2.gz YRFZSPKBDFUVIF-KLAILNCOSA-N 2 0 341.540 3.342 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173061528 1384904221 /nfs/dbraw/zinc/90/42/21/1384904221.db2.gz DYNWCOOKYGUXOO-LSDHHAIUSA-N 2 0 327.513 3.094 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001317145073 1384913227 /nfs/dbraw/zinc/91/32/27/1384913227.db2.gz WVDWIWAUKNUXBZ-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCc2cccc(OC)c2OC)CC1 ZINC001173104320 1384915777 /nfs/dbraw/zinc/91/57/77/1384915777.db2.gz HLGSJHBQEIOZIJ-UHFFFAOYSA-N 2 0 334.504 3.489 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](CC(=O)OC)c2ccc(O)cc2)CC1 ZINC001173108161 1384916163 /nfs/dbraw/zinc/91/61/63/1384916163.db2.gz ZIDIMWYGBOBSNT-FAFZWHIHSA-N 2 0 348.487 3.239 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001173107656 1384916213 /nfs/dbraw/zinc/91/62/13/1384916213.db2.gz IDLDGRHMXBILBP-UHFFFAOYSA-N 3 0 347.547 3.370 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC001173108338 1384916226 /nfs/dbraw/zinc/91/62/26/1384916226.db2.gz CDRJRCMOPFOXRT-UYSNPLJNSA-N 2 0 336.442 3.419 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CC1 ZINC001173108122 1384916397 /nfs/dbraw/zinc/91/63/97/1384916397.db2.gz YDDKNBYOSRZCHW-HTWSVDAQSA-N 2 0 349.906 3.446 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)CC1 ZINC001173114077 1384917463 /nfs/dbraw/zinc/91/74/63/1384917463.db2.gz VENMUWJKMVPIMD-ACBHZAAOSA-N 2 0 346.519 3.281 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(NC(=O)C(C)(C)C)CC2)CC1 ZINC001173114187 1384917715 /nfs/dbraw/zinc/91/77/15/1384917715.db2.gz ZEMFWAHGVZKTPL-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP [NH3+]CCCOCCOCCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173114777 1384918002 /nfs/dbraw/zinc/91/80/02/1384918002.db2.gz HTKUQOOFIXAOEV-UHFFFAOYSA-N 2 0 326.525 3.241 20 0 EGADRP c1nc2c(s1)C[C@@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)CC2 ZINC001173131506 1384920559 /nfs/dbraw/zinc/92/05/59/1384920559.db2.gz LGWMHSMUNCSKRD-KRWDZBQOSA-N 2 0 333.545 3.492 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001317178588 1384952762 /nfs/dbraw/zinc/95/27/62/1384952762.db2.gz CCBOHNACQGCUIA-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC([NH3+])(CC3CC3)CC1)CC2 ZINC001173609057 1384987962 /nfs/dbraw/zinc/98/79/62/1384987962.db2.gz XGJIECULZMAHOX-HFCFLWKCSA-N 2 0 334.504 3.092 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC([N@H+](C)C3CC3)CC1)CC2 ZINC001173618351 1384989503 /nfs/dbraw/zinc/98/95/03/1384989503.db2.gz FZHUQHDQSVSGSP-QPIRBTGLSA-N 2 0 334.504 3.057 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001173622964 1384990931 /nfs/dbraw/zinc/99/09/31/1384990931.db2.gz PCCAYBUMXLKGLN-QRQLOZEOSA-N 2 0 332.488 3.391 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)C1 ZINC001173648350 1384995119 /nfs/dbraw/zinc/99/51/19/1384995119.db2.gz JIZWXDSSXUZCPD-LPHOPBHVSA-N 2 0 336.520 3.162 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@](C)(C[NH3+])C1 ZINC001173660639 1384998287 /nfs/dbraw/zinc/99/82/87/1384998287.db2.gz ZPLJVFXSLTXOQS-ZBFHGGJFSA-N 2 0 335.458 3.146 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)C1 ZINC001173664983 1384999657 /nfs/dbraw/zinc/99/96/57/1384999657.db2.gz QMSYBTCKUACIPY-SJLPKXTDSA-N 2 0 345.487 3.070 20 0 EGADRP OCC[NH+]1CCC(C[NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173688534 1385004255 /nfs/dbraw/zinc/00/42/55/1385004255.db2.gz GOGIZJBAGPEQOL-UHFFFAOYSA-N 2 0 342.527 3.107 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649372 1385130014 /nfs/dbraw/zinc/13/00/14/1385130014.db2.gz DZQFOLUGLXBDEJ-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905903 1385168366 /nfs/dbraw/zinc/16/83/66/1385168366.db2.gz PLEBLFAKRTWDFE-BJLQDIEVSA-N 2 0 349.563 3.482 20 0 EGADRP Cc1ccc(CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001174962207 1385175147 /nfs/dbraw/zinc/17/51/47/1385175147.db2.gz RNHAXTSKTWHCOV-LJQANCHMSA-N 2 0 347.547 3.144 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001174961790 1385175216 /nfs/dbraw/zinc/17/52/16/1385175216.db2.gz OQTYRQFHTDFBMB-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317482740 1385179610 /nfs/dbraw/zinc/17/96/10/1385179610.db2.gz WTMXVSHFDDADJO-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H]1CCCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001175047819 1385186217 /nfs/dbraw/zinc/18/62/17/1385186217.db2.gz CQJJZDBNSUPLAQ-YLJYHZDGSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001175057326 1385187618 /nfs/dbraw/zinc/18/76/18/1385187618.db2.gz ZZYHEMUBACBWPE-CVEARBPZSA-N 2 0 337.483 3.103 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1)[NH+](C)C ZINC001175106661 1385195484 /nfs/dbraw/zinc/19/54/84/1385195484.db2.gz HLBMANVOJFJBJJ-FUHWJXTLSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255886 1385231070 /nfs/dbraw/zinc/23/10/70/1385231070.db2.gz IMXLZFUULIENLQ-SJORKVTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257336 1385231447 /nfs/dbraw/zinc/23/14/47/1385231447.db2.gz ZOKCEKJHQQRSJE-IAGOWNOFSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262403 1385233610 /nfs/dbraw/zinc/23/36/10/1385233610.db2.gz GFRGISPVBUQRAV-MSOLQXFVSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264761 1385234397 /nfs/dbraw/zinc/23/43/97/1385234397.db2.gz VVZIACXBVXMYFY-HKUYNNGSSA-N 2 0 345.531 3.101 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175265510 1385235333 /nfs/dbraw/zinc/23/53/33/1385235333.db2.gz YZHCTVNKPCSCMH-APWZRJJASA-N 2 0 343.531 3.264 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273798 1385237558 /nfs/dbraw/zinc/23/75/58/1385237558.db2.gz WOPRCKZYXVTMEJ-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175274008 1385238130 /nfs/dbraw/zinc/23/81/30/1385238130.db2.gz ZXIABFXLEDIPOQ-GOSISDBHSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175297319 1385242757 /nfs/dbraw/zinc/24/27/57/1385242757.db2.gz UMBUUDHVOPQCDB-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175298115 1385243253 /nfs/dbraw/zinc/24/32/53/1385243253.db2.gz ZXEKUDRYHSRSOV-KRWDZBQOSA-N 2 0 325.541 3.195 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001175316144 1385250009 /nfs/dbraw/zinc/25/00/09/1385250009.db2.gz IWXBDFWZERFCSJ-HKUYNNGSSA-N 2 0 333.520 3.100 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317536398 1385266884 /nfs/dbraw/zinc/26/68/84/1385266884.db2.gz NVFOGDUVJJHCMM-RBUKOAKNSA-N 2 0 343.515 3.062 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001175768169 1385399409 /nfs/dbraw/zinc/39/94/09/1385399409.db2.gz LVZQYUGHHNZCCU-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)CC1 ZINC001175967520 1385447631 /nfs/dbraw/zinc/44/76/31/1385447631.db2.gz KGIAPBDFOLAQTQ-DIEDAUMRSA-N 2 0 343.943 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176024501 1385464013 /nfs/dbraw/zinc/46/40/13/1385464013.db2.gz PBTAUCBBSGZBKU-NRJHKNTJSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001176024647 1385464030 /nfs/dbraw/zinc/46/40/30/1385464030.db2.gz QFUGCABQKTWYEX-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112631 1385488046 /nfs/dbraw/zinc/48/80/46/1385488046.db2.gz XCZGGUQYLASMRV-PXNSSMCTSA-N 2 0 333.520 3.138 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164341 1385500093 /nfs/dbraw/zinc/50/00/93/1385500093.db2.gz ARXNNZDLXXGMOO-SJORKVTESA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165214 1385500729 /nfs/dbraw/zinc/50/07/29/1385500729.db2.gz JKQNHZFPDNHIFD-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318409 1385549965 /nfs/dbraw/zinc/54/99/65/1385549965.db2.gz NQMZZZCJHHRDHU-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317973424 1385593565 /nfs/dbraw/zinc/59/35/65/1385593565.db2.gz XWIKHJOZLJUYNQ-UFYCRDLUSA-N 2 0 345.531 3.305 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176574899 1385630105 /nfs/dbraw/zinc/63/01/05/1385630105.db2.gz WFLXDSUXVWXNQF-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001176590622 1385633770 /nfs/dbraw/zinc/63/37/70/1385633770.db2.gz CPMZMINQRQHMFJ-MSOLQXFVSA-N 2 0 331.504 3.108 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629147 1385643229 /nfs/dbraw/zinc/64/32/29/1385643229.db2.gz SNFNEYUMTSMTTD-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176727859 1385673660 /nfs/dbraw/zinc/67/36/60/1385673660.db2.gz BMWBHLMGCRAWDQ-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CCC[NH+]1CCCC1 ZINC001176729042 1385675014 /nfs/dbraw/zinc/67/50/14/1385675014.db2.gz VPGTUCSLFYAZOX-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746144 1385680649 /nfs/dbraw/zinc/68/06/49/1385680649.db2.gz FWYAKLMLSSWXQJ-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176753206 1385684021 /nfs/dbraw/zinc/68/40/21/1385684021.db2.gz CWDUKZNRVXLVBB-ZWKOTPCHSA-N 2 0 327.557 3.273 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001318428709 1385684706 /nfs/dbraw/zinc/68/47/06/1385684706.db2.gz MKRQJMNCZZLXRP-UXHICEINSA-N 2 0 345.531 3.012 20 0 EGADRP Cc1ccc(CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001176754616 1385685201 /nfs/dbraw/zinc/68/52/01/1385685201.db2.gz WUWRYMRLTCBXPH-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001176760273 1385686827 /nfs/dbraw/zinc/68/68/27/1385686827.db2.gz SLPJIABKVIWZNI-XBMUEBEBSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760303 1385686906 /nfs/dbraw/zinc/68/69/06/1385686906.db2.gz UKUWKMVVUIPZIZ-FNYRVFDFSA-N 2 0 337.552 3.482 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176760326 1385687010 /nfs/dbraw/zinc/68/70/10/1385687010.db2.gz UYTBILLOCZGVAM-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176759583 1385687190 /nfs/dbraw/zinc/68/71/90/1385687190.db2.gz KSQGICANJSBANN-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C)c1 ZINC001176844619 1385722348 /nfs/dbraw/zinc/72/23/48/1385722348.db2.gz MHEDOCOFZTYJSD-OALUTQOASA-N 2 0 345.531 3.081 20 0 EGADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318554472 1385752931 /nfs/dbraw/zinc/75/29/31/1385752931.db2.gz IFGBLEVVNPWDAG-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001176992478 1385767102 /nfs/dbraw/zinc/76/71/02/1385767102.db2.gz RACVFKYDEKMHJI-FRECNVADSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001176996778 1385767878 /nfs/dbraw/zinc/76/78/78/1385767878.db2.gz CXDQXHWVWGGDPV-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001176997742 1385769355 /nfs/dbraw/zinc/76/93/55/1385769355.db2.gz YYLJCGKOTBBARF-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](CNC(=O)Cc1[nH]cnc1C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001318592597 1385777117 /nfs/dbraw/zinc/77/71/17/1385777117.db2.gz HLXZVGXSUZBGLP-WBMJQRKESA-N 2 0 348.878 3.160 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177267633 1385890586 /nfs/dbraw/zinc/89/05/86/1385890586.db2.gz UQIVSIQOWASGCN-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)c1ccccc1 ZINC001177336567 1385918909 /nfs/dbraw/zinc/91/89/09/1385918909.db2.gz MIOKFAJPRUTBPW-SFHVURJKSA-N 2 0 331.504 3.110 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001177336733 1385918988 /nfs/dbraw/zinc/91/89/88/1385918988.db2.gz VLHXHZCHDATITE-IBGZPJMESA-N 2 0 345.531 3.418 20 0 EGADRP C[NH+](C)C1(C(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)CCC1 ZINC001177340064 1385920411 /nfs/dbraw/zinc/92/04/11/1385920411.db2.gz ZDEXIXPBOOHMQC-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177401898 1385943887 /nfs/dbraw/zinc/94/38/87/1385943887.db2.gz FFSJBBXINJEDGY-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177415658 1385948711 /nfs/dbraw/zinc/94/87/11/1385948711.db2.gz HMZWWBUGYOWIPN-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001177416227 1385949775 /nfs/dbraw/zinc/94/97/75/1385949775.db2.gz WPUUUPCFBNHHQM-QUCCMNQESA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001319090618 1385957430 /nfs/dbraw/zinc/95/74/30/1385957430.db2.gz RYBYFOVBSYJIIG-YZGWKJHDSA-N 2 0 343.515 3.030 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001319090615 1385957678 /nfs/dbraw/zinc/95/76/78/1385957678.db2.gz RYBYFOVBSYJIIG-DFQSSKMNSA-N 2 0 343.515 3.030 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177488707 1385975871 /nfs/dbraw/zinc/97/58/71/1385975871.db2.gz IJDOVKVTWJAHNZ-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001319208855 1386006352 /nfs/dbraw/zinc/00/63/52/1386006352.db2.gz SCJSIKFQOVFLAL-KRWDZBQOSA-N 2 0 339.483 3.298 20 0 EGADRP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001177668867 1386018989 /nfs/dbraw/zinc/01/89/89/1386018989.db2.gz HOPDSZGCVIOAFW-SFHVURJKSA-N 2 0 334.467 3.217 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045388 1386114587 /nfs/dbraw/zinc/11/45/87/1386114587.db2.gz KEGLNLMBIPFWAL-MSOLQXFVSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045389 1386114592 /nfs/dbraw/zinc/11/45/92/1386114592.db2.gz KEGLNLMBIPFWAL-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001178045918 1386115972 /nfs/dbraw/zinc/11/59/72/1386115972.db2.gz ZJAJCFRAHKJJBB-AZUAARDMSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502796 1386236982 /nfs/dbraw/zinc/23/69/82/1386236982.db2.gz XTDSCWVVJICIAU-LJQANCHMSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001178688420 1386277707 /nfs/dbraw/zinc/27/77/07/1386277707.db2.gz CHTAEJTWGGUUNY-YTQUADARSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001178688859 1386279062 /nfs/dbraw/zinc/27/90/62/1386279062.db2.gz QTWCDJCECWEESZ-IBGZPJMESA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001178693625 1386280641 /nfs/dbraw/zinc/28/06/41/1386280641.db2.gz YCUVRFDADMKQIE-IBGZPJMESA-N 2 0 337.552 3.482 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001178755151 1386294765 /nfs/dbraw/zinc/29/47/65/1386294765.db2.gz MFZZDPHXWGNTEG-FQEVSTJZSA-N 2 0 347.547 3.347 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178894222 1386340257 /nfs/dbraw/zinc/34/02/57/1386340257.db2.gz BMAFIYOBTYBESF-GOSISDBHSA-N 2 0 348.535 3.220 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001179233886 1386427833 /nfs/dbraw/zinc/42/78/33/1386427833.db2.gz DZHZAYNJQWJEDW-LPHOPBHVSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)CCC[NH+](C)C ZINC001179435317 1386483420 /nfs/dbraw/zinc/48/34/20/1386483420.db2.gz PZIRENWMTDEDSF-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001179463294 1386487768 /nfs/dbraw/zinc/48/77/68/1386487768.db2.gz BGOIRKRXAYNQEG-YZGWKJHDSA-N 2 0 349.563 3.031 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1 ZINC001179464303 1386488829 /nfs/dbraw/zinc/48/88/29/1386488829.db2.gz PLHPEUAQDUCHET-GOSISDBHSA-N 2 0 333.520 3.274 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C)[NH+](CC)CC ZINC001179516549 1386504162 /nfs/dbraw/zinc/50/41/62/1386504162.db2.gz DFDKFFUMFLVIQF-YTQUADARSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C)[NH+](CC)CC ZINC001179525832 1386506143 /nfs/dbraw/zinc/50/61/43/1386506143.db2.gz RPLHNPJGBXVREK-YESZJQIVSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001179549705 1386512036 /nfs/dbraw/zinc/51/20/36/1386512036.db2.gz GTYKNCMJZMTEIM-HKUYNNGSSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179580899 1386522719 /nfs/dbraw/zinc/52/27/19/1386522719.db2.gz VBQCFLFCIJSBGE-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001179585299 1386523545 /nfs/dbraw/zinc/52/35/45/1386523545.db2.gz GTSTUOCNVNDHMW-QGZVFWFLSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179591514 1386526665 /nfs/dbraw/zinc/52/66/65/1386526665.db2.gz VYRKFLIRVAACII-HKUYNNGSSA-N 2 0 349.563 3.031 20 0 EGADRP Cc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)ccc2c[nH+]cn21 ZINC001320146090 1386535062 /nfs/dbraw/zinc/53/50/62/1386535062.db2.gz VGIBWWODQADFEK-SFHVURJKSA-N 2 0 346.434 3.268 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C)[NH+]1CCCCCC1 ZINC001179652012 1386540848 /nfs/dbraw/zinc/54/08/48/1386540848.db2.gz KIKWBIUFVHJZIW-KSZLIROESA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179746500 1386571088 /nfs/dbraw/zinc/57/10/88/1386571088.db2.gz VTFNPCVAIDSSFI-IBGZPJMESA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749646 1386571825 /nfs/dbraw/zinc/57/18/25/1386571825.db2.gz ONDUQMUOAFXUEF-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179776871 1386581968 /nfs/dbraw/zinc/58/19/68/1386581968.db2.gz LJFDIAJOROWSOJ-KRWDZBQOSA-N 2 0 342.487 3.055 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)C(C)C ZINC001179843126 1386605201 /nfs/dbraw/zinc/60/52/01/1386605201.db2.gz VOSNKUSWRWSQSI-QZTJIDSGSA-N 2 0 345.547 3.367 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C)cc1 ZINC001180095622 1386696128 /nfs/dbraw/zinc/69/61/28/1386696128.db2.gz IQCXYWUZFMMUTA-UHFFFAOYSA-N 2 0 347.547 3.493 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001180118121 1386702465 /nfs/dbraw/zinc/70/24/65/1386702465.db2.gz WEEYAKFIPYLUMX-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC001320771198 1386714636 /nfs/dbraw/zinc/71/46/36/1386714636.db2.gz SNYKMCCLRMYWDD-UHFFFAOYSA-N 2 0 336.549 3.263 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180211924 1386734764 /nfs/dbraw/zinc/73/47/64/1386734764.db2.gz TXSUZAZJDLZLCR-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001180226684 1386738775 /nfs/dbraw/zinc/73/87/75/1386738775.db2.gz GOUORMJOJMVQOO-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320864467 1386742251 /nfs/dbraw/zinc/74/22/51/1386742251.db2.gz WMHKWBLXOJTZOD-ICSRJNTNSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC001180264423 1386750255 /nfs/dbraw/zinc/75/02/55/1386750255.db2.gz DUEDWMABIXBFJR-SJLPKXTDSA-N 2 0 349.494 3.105 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC001180264424 1386750377 /nfs/dbraw/zinc/75/03/77/1386750377.db2.gz DUEDWMABIXBFJR-WMZOPIPTSA-N 2 0 349.494 3.105 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180356573 1386773067 /nfs/dbraw/zinc/77/30/67/1386773067.db2.gz CYYONBDPFVSLFO-GOSISDBHSA-N 2 0 325.541 3.175 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180451492 1386801296 /nfs/dbraw/zinc/80/12/96/1386801296.db2.gz CFXXRFVRJXYYHP-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196421 1386837656 /nfs/dbraw/zinc/83/76/56/1386837656.db2.gz NYRMLVHNHRKTRK-GOSISDBHSA-N 2 0 326.488 3.251 20 0 EGADRP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)ccn1 ZINC001181276598 1386970743 /nfs/dbraw/zinc/97/07/43/1386970743.db2.gz OTKAKVJNDHGFEU-APWZRJJASA-N 2 0 331.504 3.408 20 0 EGADRP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181728247 1387046508 /nfs/dbraw/zinc/04/65/08/1387046508.db2.gz ITFCYYJWAQNQFU-SLYNCCJLSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181745751 1387049717 /nfs/dbraw/zinc/04/97/17/1387049717.db2.gz JRWRAZWQRNLTIC-NREOILKTSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001181992317 1387088944 /nfs/dbraw/zinc/08/89/44/1387088944.db2.gz NBMYUINALPAUKZ-FOIQADDNSA-N 2 0 342.487 3.131 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001182814508 1387228871 /nfs/dbraw/zinc/22/88/71/1387228871.db2.gz ZQTMUYZWVBNJFR-YFVAEKQCSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001182896914 1387241457 /nfs/dbraw/zinc/24/14/57/1387241457.db2.gz JCFODZZHLNAZIK-DYESRHJHSA-N 2 0 345.531 3.236 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)COc1ccc(Cl)cc1 ZINC001322845667 1387245802 /nfs/dbraw/zinc/24/58/02/1387245802.db2.gz KAADYMOVUQDDHT-UHFFFAOYSA-N 2 0 342.786 3.247 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001182932487 1387247858 /nfs/dbraw/zinc/24/78/58/1387247858.db2.gz ANZPKJBMCBJKAJ-NLWGTHIKSA-N 2 0 339.568 3.085 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)C[C@@H]2C1 ZINC001336888618 1389197000 /nfs/dbraw/zinc/19/70/00/1389197000.db2.gz KNFDDVOJLUAUOX-IJEWVQPXSA-N 2 0 330.501 3.300 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001698726398 1406376752 /nfs/dbraw/zinc/37/67/52/1406376752.db2.gz PRSMVZLTFWKOKE-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP Nc1ccc(-c2cccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001330794536 1389529461 /nfs/dbraw/zinc/52/94/61/1389529461.db2.gz PNOCFWKOBYHPMR-UHFFFAOYSA-N 2 0 336.483 3.296 20 0 EGADRP [NH3+]C1(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC2(CCC2)C1 ZINC001330987924 1389587950 /nfs/dbraw/zinc/58/79/50/1389587950.db2.gz GUSQOIPHYPJRPZ-UHFFFAOYSA-N 2 0 327.472 3.273 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001698749548 1406400515 /nfs/dbraw/zinc/40/05/15/1406400515.db2.gz WCSLRTPJUQXWSN-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)CCC[NH+](C)C ZINC001331919568 1389910651 /nfs/dbraw/zinc/91/06/51/1389910651.db2.gz PZIRENWMTDEDSF-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C)[C@H]1C ZINC001332220459 1390052736 /nfs/dbraw/zinc/05/27/36/1390052736.db2.gz UDEKPFDDGPUVJD-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1OC ZINC001332358806 1390095928 /nfs/dbraw/zinc/09/59/28/1390095928.db2.gz LQJREWMYCCPFJG-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C(C)(C)C ZINC001332839585 1390197929 /nfs/dbraw/zinc/19/79/29/1390197929.db2.gz YGWYEXXQJOXNLA-IBGZPJMESA-N 2 0 347.547 3.181 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc2)C1 ZINC001340107493 1390228079 /nfs/dbraw/zinc/22/80/79/1390228079.db2.gz YOOWTTJMJMGWEO-QAPCUYQASA-N 2 0 347.503 3.109 20 0 EGADRP COc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1OC1CCCC1 ZINC001334174739 1390493224 /nfs/dbraw/zinc/49/32/24/1390493224.db2.gz WTCXPFOLWZIZBX-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cn3nc(Cl)c4ccccc43)C[C@H]2C1 ZINC001334747260 1390578869 /nfs/dbraw/zinc/57/88/69/1390578869.db2.gz HFUQHQDSADKXNQ-RBSFLKMASA-N 2 0 332.879 3.309 20 0 EGADRP c1cc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc2c1CCC2 ZINC001335255953 1390660622 /nfs/dbraw/zinc/66/06/22/1390660622.db2.gz PMTZOKWLYLHCPI-CTXDPNEZSA-N 2 0 326.484 3.302 20 0 EGADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001335346612 1390674584 /nfs/dbraw/zinc/67/45/84/1390674584.db2.gz ZFTXENFLCREXQF-LAUBAEHRSA-N 2 0 330.516 3.395 20 0 EGADRP C[C@@H](CCNCc1cnn(C)c1C1CC1)[N@H+](C)Cc1ccccc1 ZINC001342978585 1390679975 /nfs/dbraw/zinc/67/99/75/1390679975.db2.gz HZYWRNOHHJOZHA-INIZCTEOSA-N 2 0 326.488 3.298 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c2c(n1)CCCC2 ZINC001335583156 1390705984 /nfs/dbraw/zinc/70/59/84/1390705984.db2.gz PTRWGLAEBJGDFV-LNLFQRSKSA-N 2 0 327.516 3.431 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC001345105265 1390837560 /nfs/dbraw/zinc/83/75/60/1390837560.db2.gz RLRIAYBGLNYVHY-INIZCTEOSA-N 2 0 335.455 3.022 20 0 EGADRP CC(C)c1cn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(=S)n1C ZINC001345107532 1390837850 /nfs/dbraw/zinc/83/78/50/1390837850.db2.gz BBZGPXPBOOUXBE-JYJNAYRXSA-N 2 0 336.549 3.299 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1Cl)N1CCCC2(CC[NH2+]CC2)C1 ZINC001346018616 1390901093 /nfs/dbraw/zinc/90/10/93/1390901093.db2.gz WKJQQIUBORINKT-AWEZNQCLSA-N 2 0 335.879 3.133 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001347927756 1391147685 /nfs/dbraw/zinc/14/76/85/1391147685.db2.gz YNCBAMOBYWFHBW-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)CC(F)(F)C(F)(F)F ZINC001348547743 1391235428 /nfs/dbraw/zinc/23/54/28/1391235428.db2.gz HSAAEEHJHBBAIP-UHFFFAOYSA-N 2 0 334.248 3.102 20 0 EGADRP CC(C)C[NH2+]CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001349473661 1391333815 /nfs/dbraw/zinc/33/38/15/1391333815.db2.gz OENGDKHMDDWUOQ-UHFFFAOYSA-N 2 0 345.531 3.313 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479829181 1392415759 /nfs/dbraw/zinc/41/57/59/1392415759.db2.gz KEGKJVPHPMYRKJ-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001698862971 1406574204 /nfs/dbraw/zinc/57/42/04/1406574204.db2.gz XTSUACVWKMYKSX-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)cc1 ZINC001480410035 1392746029 /nfs/dbraw/zinc/74/60/29/1392746029.db2.gz ZKOBLHDMPJXOAO-KGVSQERTSA-N 2 0 349.906 3.131 20 0 EGADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001480510129 1392774506 /nfs/dbraw/zinc/77/45/06/1392774506.db2.gz SSXQHSDEUOZKPP-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001480548738 1392788647 /nfs/dbraw/zinc/78/86/47/1392788647.db2.gz NOLDDBIIGQCIMY-KXBFYZLASA-N 2 0 349.494 3.103 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001480905013 1393009615 /nfs/dbraw/zinc/00/96/15/1393009615.db2.gz PGJHJGDSRFWXGQ-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cc(C)cc(C)c1 ZINC001481019399 1393096106 /nfs/dbraw/zinc/09/61/06/1393096106.db2.gz RAMSPTHHFZUHNV-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)C1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001490421447 1394222905 /nfs/dbraw/zinc/22/29/05/1394222905.db2.gz IPFVDSHDADATKI-HXUWFJFHSA-N 2 0 345.531 3.258 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC001490897506 1394369530 /nfs/dbraw/zinc/36/95/30/1394369530.db2.gz LALIOSORDOWJIF-JQFCIGGWSA-N 2 0 349.906 3.122 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001481537747 1394398167 /nfs/dbraw/zinc/39/81/67/1394398167.db2.gz VNLFEFLRZGTCBF-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001481779646 1394524596 /nfs/dbraw/zinc/52/45/96/1394524596.db2.gz VGTWNOCPFARNHL-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001481779644 1394524640 /nfs/dbraw/zinc/52/46/40/1394524640.db2.gz VGTWNOCPFARNHL-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001482022712 1394679627 /nfs/dbraw/zinc/67/96/27/1394679627.db2.gz MPSYUYDLELGDEM-IHPCNDPISA-N 2 0 345.531 3.415 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2C)CCCC1)[NH+](C)C ZINC001482235966 1394831579 /nfs/dbraw/zinc/83/15/79/1394831579.db2.gz ZBOKOCVFNAPZSL-MJGOQNOKSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001482291290 1394869788 /nfs/dbraw/zinc/86/97/88/1394869788.db2.gz DOCDIBYBNKJWTK-QGZVFWFLSA-N 2 0 345.531 3.231 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCCC1 ZINC001482457598 1395015932 /nfs/dbraw/zinc/01/59/32/1395015932.db2.gz UVBBQLFFFMWBMF-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCCC3CCC3)C2)C1 ZINC001483847693 1395114171 /nfs/dbraw/zinc/11/41/71/1395114171.db2.gz NXPNIMWYEFURNG-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@]2(CC[NH+](C(C)C)C2)C1)c1ccccc1 ZINC001483848471 1395115741 /nfs/dbraw/zinc/11/57/41/1395115741.db2.gz UUXKLBZFKXIJMV-TZIWHRDSSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484164757 1395301305 /nfs/dbraw/zinc/30/13/05/1395301305.db2.gz DUSYHBMRBOVZQG-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001484176865 1395322298 /nfs/dbraw/zinc/32/22/98/1395322298.db2.gz ZJOAWYNPRUDGCJ-NRFANRHFSA-N 2 0 345.531 3.055 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001484387176 1395352293 /nfs/dbraw/zinc/35/22/93/1395352293.db2.gz WANIBYOHPJSGFK-FCGDIQPGSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001484770586 1395529718 /nfs/dbraw/zinc/52/97/18/1395529718.db2.gz GZZAUYGEOMZYKP-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CCc1ccccc1C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001484981456 1395621757 /nfs/dbraw/zinc/62/17/57/1395621757.db2.gz OBFACZAWNHSYIX-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001485483515 1395969829 /nfs/dbraw/zinc/96/98/29/1395969829.db2.gz ZRNNCQVVPKKBFH-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001486207715 1396182305 /nfs/dbraw/zinc/18/23/05/1396182305.db2.gz MJIZFXRDTDURNI-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001492092691 1396303920 /nfs/dbraw/zinc/30/39/20/1396303920.db2.gz ZWKJBDVEAHRMBJ-GOSISDBHSA-N 2 0 345.531 3.020 20 0 EGADRP CC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CC1CCCCC1 ZINC001493034705 1396333416 /nfs/dbraw/zinc/33/34/16/1396333416.db2.gz DCRQRCFTEVZIOH-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](CC)c1ccccc1 ZINC001493280697 1396339051 /nfs/dbraw/zinc/33/90/51/1396339051.db2.gz OEDQLNRPTFDQDM-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001493696630 1396342239 /nfs/dbraw/zinc/34/22/39/1396342239.db2.gz YEGYTSCKMKGKQI-KRWDZBQOSA-N 2 0 333.520 3.082 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCc2c[nH]cn2)CC1 ZINC001690023231 1404261348 /nfs/dbraw/zinc/26/13/48/1404261348.db2.gz JJQNUWHFRCFADN-MRXNPFEDSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001690300271 1404460267 /nfs/dbraw/zinc/46/02/67/1404460267.db2.gz VUHPTDSUEZRPEF-YRPNKDGESA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C)cc1 ZINC001690458015 1404587866 /nfs/dbraw/zinc/58/78/66/1404587866.db2.gz XIEPQYPGWQUTIT-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001690650654 1404681986 /nfs/dbraw/zinc/68/19/86/1404681986.db2.gz OPBBXHYUNLFGLV-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001725186963 1425720420 /nfs/dbraw/zinc/72/04/20/1425720420.db2.gz FYLATRKTONILQY-SJORKVTESA-N 2 0 345.531 3.015 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001725186956 1425721129 /nfs/dbraw/zinc/72/11/29/1425721129.db2.gz FYLATRKTONILQY-DLBZAZTESA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCCC1 ZINC001691079360 1405014587 /nfs/dbraw/zinc/01/45/87/1405014587.db2.gz KFZCGFGAKCZBOC-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083308 1405017442 /nfs/dbraw/zinc/01/74/42/1405017442.db2.gz TUAQIUHTOKQAHB-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001691228159 1405167863 /nfs/dbraw/zinc/16/78/63/1405167863.db2.gz PNYPUXVNDIGKNJ-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC(C[NH+]2CCC3(C[C@H](C)N(C(=O)CCC[NH+](C)C)C3)CC2)C1 ZINC001691274955 1405187216 /nfs/dbraw/zinc/18/72/16/1405187216.db2.gz IHOKVNRXLUAIGT-XBMUEBEBSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc(C[N@H+]2CC[C@H]2CN(C)C(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001691403262 1405241406 /nfs/dbraw/zinc/24/14/06/1405241406.db2.gz ZAFAEZXAVPZSLA-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1F ZINC001691500508 1405305557 /nfs/dbraw/zinc/30/55/57/1405305557.db2.gz PQTVFPOSRHMMRY-LPHOPBHVSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC1CCC(C(C)(C)C)CC1)[NH+](C)C ZINC001691558583 1405337633 /nfs/dbraw/zinc/33/76/33/1405337633.db2.gz NIRAEKUONLOFIT-ABHNRTSZSA-N 2 0 339.568 3.227 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001691806153 1405518834 /nfs/dbraw/zinc/51/88/34/1405518834.db2.gz ZGEYVQQAQCMCCY-FQEVSTJZSA-N 2 0 343.515 3.110 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001691855828 1405572325 /nfs/dbraw/zinc/57/23/25/1405572325.db2.gz BBEHBXROOMOKSV-IBGZPJMESA-N 2 0 337.552 3.362 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001731630076 1427681827 /nfs/dbraw/zinc/68/18/27/1427681827.db2.gz UYUZYKFKPVRYKS-JKSUJKDBSA-N 2 0 349.494 3.101 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001691989560 1405702486 /nfs/dbraw/zinc/70/24/86/1405702486.db2.gz JMZBMENMUWSBEU-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001692086644 1405766738 /nfs/dbraw/zinc/76/67/38/1405766738.db2.gz HZDNOCJONDVRSF-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698547367 1406144341 /nfs/dbraw/zinc/14/43/41/1406144341.db2.gz AFTOMTIDTHKATD-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001698568306 1406172207 /nfs/dbraw/zinc/17/22/07/1406172207.db2.gz ZLFKJZQOMQMCFG-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)[NH+]1CCCCC1 ZINC001732018643 1428235471 /nfs/dbraw/zinc/23/54/71/1428235471.db2.gz BMGAVSAXJPDYRW-LJQANCHMSA-N 2 0 343.515 3.108 20 0 EGADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001698599700 1406224808 /nfs/dbraw/zinc/22/48/08/1406224808.db2.gz GNVDQBROEWRHJH-SFHVURJKSA-N 2 0 343.515 3.033 20 0 EGADRP C[N@H+](CC(=O)NCC[C@H]1CC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001732049658 1428287811 /nfs/dbraw/zinc/28/78/11/1428287811.db2.gz SQORLFHNCVHWCU-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001732154615 1428398570 /nfs/dbraw/zinc/39/85/70/1428398570.db2.gz YRCHSTCLFPBBER-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001732347623 1428543526 /nfs/dbraw/zinc/54/35/26/1428543526.db2.gz CIIYHUNASZDQOF-MSOLQXFVSA-N 2 0 343.515 3.026 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001732360013 1428547891 /nfs/dbraw/zinc/54/78/91/1428547891.db2.gz HKTDOEQEEQWHER-INIZCTEOSA-N 2 0 347.547 3.123 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001732360749 1428548005 /nfs/dbraw/zinc/54/80/05/1428548005.db2.gz MIQSZIUHLORMCA-GOSISDBHSA-N 2 0 347.547 3.123 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C(=O)CCC[NH+](C)C ZINC001732436593 1428580260 /nfs/dbraw/zinc/58/02/60/1428580260.db2.gz IRCOGNDUQMRMKG-QGZVFWFLSA-N 2 0 347.547 3.262 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001699190833 1412563148 /nfs/dbraw/zinc/56/31/48/1412563148.db2.gz WPBPHMLRTKBMLI-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001699474547 1412865791 /nfs/dbraw/zinc/86/57/91/1412865791.db2.gz QGBFXXOAKGAQBI-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC)CC2)c1ccccc1 ZINC001699700109 1413112461 /nfs/dbraw/zinc/11/24/61/1413112461.db2.gz MEYNIHZHOSDEEE-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001699705465 1413121163 /nfs/dbraw/zinc/12/11/63/1413121163.db2.gz JAKYBHYVUFYDCZ-FQEVSTJZSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001699865173 1413301581 /nfs/dbraw/zinc/30/15/81/1413301581.db2.gz WMNKSZPPQSJPFI-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001732550677 1428732056 /nfs/dbraw/zinc/73/20/56/1428732056.db2.gz BRIKKJDPILFBEW-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CCCCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001700329376 1413804847 /nfs/dbraw/zinc/80/48/47/1413804847.db2.gz NKSKALKXPVBCBX-UXHICEINSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)c1cccc(F)c1 ZINC001700345530 1413832223 /nfs/dbraw/zinc/83/22/23/1413832223.db2.gz UPGFSTBWUVAKDF-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH2+]CCC2CC2)c1 ZINC001700346381 1413833992 /nfs/dbraw/zinc/83/39/92/1413833992.db2.gz PXQBHABNNGTRJL-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC1CC(C[N@@H+]2CCCCC[C@H]2CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001700525596 1414185940 /nfs/dbraw/zinc/18/59/40/1414185940.db2.gz FQWQQUZJOZIZES-MHJFOBGBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001700556045 1414225787 /nfs/dbraw/zinc/22/57/87/1414225787.db2.gz VTXOJZNTYMYNOL-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001700998370 1414648848 /nfs/dbraw/zinc/64/88/48/1414648848.db2.gz NWXFXONNUAPIEC-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001732744870 1428942732 /nfs/dbraw/zinc/94/27/32/1428942732.db2.gz GRNGFNLAFGBVHX-BEFAXECRSA-N 2 0 349.494 3.029 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732774462 1428962132 /nfs/dbraw/zinc/96/21/32/1428962132.db2.gz DSZBRRUDFPUBFQ-AZUAARDMSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC001733012557 1429132032 /nfs/dbraw/zinc/13/20/32/1429132032.db2.gz VVWBRHCLQSCLDC-XKQJLSEDSA-N 2 0 339.911 3.226 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713171742 1417744558 /nfs/dbraw/zinc/74/45/58/1417744558.db2.gz FCZWVGAERBUYHF-BHIYHBOVSA-N 2 0 337.552 3.026 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001713180638 1417754737 /nfs/dbraw/zinc/75/47/37/1417754737.db2.gz RNVLKUKCKJJTTO-VOBGVNJCSA-N 2 0 343.515 3.201 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1)[NH+](C)C ZINC001713257000 1417857761 /nfs/dbraw/zinc/85/77/61/1417857761.db2.gz SQKALEFXBBPVQM-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001733065088 1429217964 /nfs/dbraw/zinc/21/79/64/1429217964.db2.gz FRGXDZQAPNRPQO-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001713364692 1417977782 /nfs/dbraw/zinc/97/77/82/1417977782.db2.gz VNTMIICKJORAOF-OALUTQOASA-N 2 0 343.515 3.062 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001713452736 1418099595 /nfs/dbraw/zinc/09/95/95/1418099595.db2.gz ARBDTHCBSIROBN-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713469547 1418135704 /nfs/dbraw/zinc/13/57/04/1418135704.db2.gz PRHYOULHEKJIPN-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)c1cccc(Cl)c1 ZINC001713610251 1418392823 /nfs/dbraw/zinc/39/28/23/1418392823.db2.gz NSHVTCSWPIXWMW-OAHLLOKOSA-N 2 0 349.906 3.077 20 0 EGADRP CCC[NH2+][C@@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001713678630 1418430453 /nfs/dbraw/zinc/43/04/53/1418430453.db2.gz YUPCLRVFRYFCGS-AWEZNQCLSA-N 2 0 337.533 3.050 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001713682452 1418434553 /nfs/dbraw/zinc/43/45/53/1418434553.db2.gz BKNQXDIBMCLCIQ-MSOLQXFVSA-N 2 0 345.531 3.306 20 0 EGADRP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001713719686 1418489974 /nfs/dbraw/zinc/48/99/74/1418489974.db2.gz FYEOODYIMKOBSI-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP C[N@H+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713754159 1418557169 /nfs/dbraw/zinc/55/71/69/1418557169.db2.gz BMAAKWNYEKTBHV-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001713759290 1418565867 /nfs/dbraw/zinc/56/58/67/1418565867.db2.gz JUFDOVROXSXXON-RTBURBONSA-N 2 0 345.531 3.178 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835403 1418633717 /nfs/dbraw/zinc/63/37/17/1418633717.db2.gz VOCOJWVZHQOUNX-XLIONFOSSA-N 2 0 345.531 3.403 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC23CC[NH+](CCCC(C)(C)C)CC3)CC1 ZINC001713850416 1418646179 /nfs/dbraw/zinc/64/61/79/1418646179.db2.gz NWJYANCMLDHLKF-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](CCC(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001713893711 1418690230 /nfs/dbraw/zinc/69/02/30/1418690230.db2.gz AAPBTFOVPOXUQN-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001714071923 1418867466 /nfs/dbraw/zinc/86/74/66/1418867466.db2.gz FBONZCDKGPMPRH-IBGZPJMESA-N 2 0 345.531 3.244 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001714139621 1418942149 /nfs/dbraw/zinc/94/21/49/1418942149.db2.gz GAGUFIXQRVAGLI-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP CC[NH2+]C[C@@]1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCC[C@H]1C ZINC001714187506 1418994493 /nfs/dbraw/zinc/99/44/93/1418994493.db2.gz JGAVQNCLILZWKD-XLIONFOSSA-N 2 0 337.552 3.173 20 0 EGADRP CC[NH2+]C[C@]1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCC[C@H]1C ZINC001714187507 1418994614 /nfs/dbraw/zinc/99/46/14/1418994614.db2.gz JGAVQNCLILZWKD-YLJYHZDGSA-N 2 0 337.552 3.173 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001714859139 1419578985 /nfs/dbraw/zinc/57/89/85/1419578985.db2.gz GKLUURVUQOPFMF-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](CC)c1ccccc1 ZINC001715063267 1419801775 /nfs/dbraw/zinc/80/17/75/1419801775.db2.gz ACAXPURQPJZXFR-MOPGFXCFSA-N 2 0 343.515 3.251 20 0 EGADRP C[C@H]([NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1)c1cccc(F)c1 ZINC001715097586 1419837431 /nfs/dbraw/zinc/83/74/31/1419837431.db2.gz HQOMOVLIFYQVRU-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001715394610 1420092014 /nfs/dbraw/zinc/09/20/14/1420092014.db2.gz ZMNGVNSGQJFNEK-QFBILLFUSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCCC1 ZINC001715405130 1420103432 /nfs/dbraw/zinc/10/34/32/1420103432.db2.gz NBXQWZASYOWUCM-FQEVSTJZSA-N 2 0 345.531 3.425 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478279 1420693584 /nfs/dbraw/zinc/69/35/84/1420693584.db2.gz PXFFLAOJFDQMOJ-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716725041 1420883257 /nfs/dbraw/zinc/88/32/57/1420883257.db2.gz RCLJLZOKQRYTSN-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001716764310 1420910696 /nfs/dbraw/zinc/91/06/96/1420910696.db2.gz NACJSLUCQYTTJL-PJKWBFRZSA-N 2 0 343.515 3.011 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001716771067 1420914889 /nfs/dbraw/zinc/91/48/89/1420914889.db2.gz QXOLFJNFNZZPAS-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001716790907 1420924522 /nfs/dbraw/zinc/92/45/22/1420924522.db2.gz QXYWDXQBMIJXOJ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001716877646 1421002900 /nfs/dbraw/zinc/00/29/00/1421002900.db2.gz FEAUGNGAEXNTEM-OXJNMPFZSA-N 2 0 349.494 3.057 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001716886939 1421010594 /nfs/dbraw/zinc/01/05/94/1421010594.db2.gz UJIKCRFNWRNQDL-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001717125129 1421127605 /nfs/dbraw/zinc/12/76/05/1421127605.db2.gz DVUUNNKGHUYWNI-LFGUQSLTSA-N 2 0 345.531 3.352 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1 ZINC001717212929 1421187856 /nfs/dbraw/zinc/18/78/56/1421187856.db2.gz SFRNCRVGMHVZLR-KRWDZBQOSA-N 2 0 348.535 3.339 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001717748085 1421610643 /nfs/dbraw/zinc/61/06/43/1421610643.db2.gz AFLJKVMLARNIEQ-RBUKOAKNSA-N 2 0 345.531 3.224 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)CC(C)(C)C ZINC001733348597 1429530148 /nfs/dbraw/zinc/53/01/48/1429530148.db2.gz OAUDIAGFDGKJJN-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001733363269 1429549031 /nfs/dbraw/zinc/54/90/31/1429549031.db2.gz OZCGPIJYYJRQDA-UHFFFAOYSA-N 2 0 349.494 3.028 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001733379473 1429563701 /nfs/dbraw/zinc/56/37/01/1429563701.db2.gz GFFLFXUEQQXXFJ-MOPGFXCFSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001733768778 1429995217 /nfs/dbraw/zinc/99/52/17/1429995217.db2.gz JYZPSAOKKWFUJB-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001723571844 1424470185 /nfs/dbraw/zinc/47/01/85/1424470185.db2.gz UCXXOCYKVGBUTR-ZWKOTPCHSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001724021827 1424631556 /nfs/dbraw/zinc/63/15/56/1424631556.db2.gz FBYAUWGYHIHCHE-QAPCUYQASA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001724329031 1424817358 /nfs/dbraw/zinc/81/73/58/1424817358.db2.gz CJZLYKCBKNUJSU-GHTZIAJQSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001724329034 1424818330 /nfs/dbraw/zinc/81/83/30/1424818330.db2.gz CJZLYKCBKNUJSU-WIYYLYMNSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC001725004133 1425416419 /nfs/dbraw/zinc/41/64/19/1425416419.db2.gz UOZQRODXLWYEGG-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1C ZINC001725053858 1425487726 /nfs/dbraw/zinc/48/77/26/1425487726.db2.gz PDZHZJSFDKIERC-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCC[NH+](CCCC(C)(C)C)C3)C1 ZINC001725344345 1425994696 /nfs/dbraw/zinc/99/46/96/1425994696.db2.gz FVLWNRCGNBVDAL-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CCCC2CCC2)CC1 ZINC001725421401 1426070615 /nfs/dbraw/zinc/07/06/15/1426070615.db2.gz URLVPUGVOSXNPN-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001725780677 1426464855 /nfs/dbraw/zinc/46/48/55/1426464855.db2.gz VJPZIFZFTGQVAM-IPJUCJBFSA-N 2 0 343.515 3.119 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001725789504 1426475784 /nfs/dbraw/zinc/47/57/84/1426475784.db2.gz KKVCDDLFVHIDED-VIQWUECVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719464 1427786424 /nfs/dbraw/zinc/78/64/24/1427786424.db2.gz GVZNFHCNGFLVDV-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP CCc1ccccc1C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001731803933 1427971481 /nfs/dbraw/zinc/97/14/81/1427971481.db2.gz XAEYGGQDIPTXHS-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001733670570 1429864013 /nfs/dbraw/zinc/86/40/13/1429864013.db2.gz LWFIFIZFHRWONY-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001733773349 1430009612 /nfs/dbraw/zinc/00/96/12/1430009612.db2.gz DDBMUENRPDDVPM-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733773235 1430009987 /nfs/dbraw/zinc/00/99/87/1430009987.db2.gz ZSAAQLRTOPUSBB-JFIYKMOQSA-N 2 0 349.494 3.007 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](CC)C(C)C)CC1)[NH+](CC)CC ZINC001733919770 1437733278 /nfs/dbraw/zinc/73/32/78/1437733278.db2.gz JPAMNVUTLXYLDH-SFHVURJKSA-N 2 0 325.541 3.076 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001734332329 1438055426 /nfs/dbraw/zinc/05/54/26/1438055426.db2.gz SUALVANCZUJBCO-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP CCCCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001752309516 1440169310 /nfs/dbraw/zinc/16/93/10/1440169310.db2.gz XBKJLTLERQQJMB-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001752423208 1440176265 /nfs/dbraw/zinc/17/62/65/1440176265.db2.gz GULJCJSFQULNMT-DUMMIQTOSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752512130 1440190432 /nfs/dbraw/zinc/19/04/32/1440190432.db2.gz AYGAMURBQSTUOG-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752517977 1440191957 /nfs/dbraw/zinc/19/19/57/1440191957.db2.gz KYMMTYOZRYZKRZ-FHWLQOOXSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752538592 1440194542 /nfs/dbraw/zinc/19/45/42/1440194542.db2.gz NCUADYJGMHYKRS-KDURUIRLSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001752544547 1440194979 /nfs/dbraw/zinc/19/49/79/1440194979.db2.gz BKRVSTYYMRBJKA-BGYRXZFFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752545689 1440195170 /nfs/dbraw/zinc/19/51/70/1440195170.db2.gz ZKNDAKGCYAGZDQ-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(C)(C)C)CC1 ZINC001752697504 1440200989 /nfs/dbraw/zinc/20/09/89/1440200989.db2.gz GMHCZLBDXFUPLW-AYHJJNSGSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001752784583 1440210762 /nfs/dbraw/zinc/21/07/62/1440210762.db2.gz FPCSMVHYXGBJSS-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001752828066 1440224364 /nfs/dbraw/zinc/22/43/64/1440224364.db2.gz YTPGPKCFLQXHHT-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001752840123 1440230057 /nfs/dbraw/zinc/23/00/57/1440230057.db2.gz GWBOWQXYHWGLJT-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001752842353 1440231207 /nfs/dbraw/zinc/23/12/07/1440231207.db2.gz YSUGAXDZTWDUHJ-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1=CCCCC1 ZINC001752873121 1440237429 /nfs/dbraw/zinc/23/74/29/1440237429.db2.gz OYBRNHNTJWHOLM-IEBWSBKVSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001752921664 1440248752 /nfs/dbraw/zinc/24/87/52/1440248752.db2.gz WTHWSYXGSCUQQQ-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001752954633 1440252536 /nfs/dbraw/zinc/25/25/36/1440252536.db2.gz VDXYCFYQDLENMR-VOFKWLDRSA-N 2 0 343.515 3.156 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001752955336 1440252605 /nfs/dbraw/zinc/25/26/05/1440252605.db2.gz GIZJHZLRCCLIMZ-OALUTQOASA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001752977477 1440256393 /nfs/dbraw/zinc/25/63/93/1440256393.db2.gz VQJOJABJPGRQQU-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001752990600 1440259474 /nfs/dbraw/zinc/25/94/74/1440259474.db2.gz HPNKDHLXSULNMH-LSWULPBNSA-N 2 0 349.563 3.386 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2CC)C1 ZINC001752996737 1440262207 /nfs/dbraw/zinc/26/22/07/1440262207.db2.gz HRGMWKDFGRUDBL-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001753040260 1440275905 /nfs/dbraw/zinc/27/59/05/1440275905.db2.gz UNTFBFDZBPTGFO-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCC1CCCCC1 ZINC001753085302 1440295864 /nfs/dbraw/zinc/29/58/64/1440295864.db2.gz VOTTVYGPJQXLAJ-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001753094804 1440301900 /nfs/dbraw/zinc/30/19/00/1440301900.db2.gz JAJWYMIORNBIFV-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753112345 1440308985 /nfs/dbraw/zinc/30/89/85/1440308985.db2.gz AVQAKVUNHVKUEX-NYQZOWANSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001753117286 1440312146 /nfs/dbraw/zinc/31/21/46/1440312146.db2.gz ZUKCEPNRSCPNKS-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001753137280 1440319378 /nfs/dbraw/zinc/31/93/78/1440319378.db2.gz HPSVRNQJWCLFHU-QFBILLFUSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)c1ccc(C[NH+]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001753140187 1440320674 /nfs/dbraw/zinc/32/06/74/1440320674.db2.gz LAAVAGCQKVUXJJ-LJQANCHMSA-N 2 0 345.531 3.088 20 0 EGADRP CCC[N@H+](CCNC(=O)Cn1cncc1C)[C@H](C)c1ccccc1C ZINC001753146296 1440324762 /nfs/dbraw/zinc/32/47/62/1440324762.db2.gz PPOQPSBMTCZDLB-GOSISDBHSA-N 2 0 342.487 3.089 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC1CC2(CCC2)C1 ZINC001753149656 1440326965 /nfs/dbraw/zinc/32/69/65/1440326965.db2.gz KDJPSEKSNJVRHY-HDICACEKSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001753350960 1440377821 /nfs/dbraw/zinc/37/78/21/1440377821.db2.gz BMAAKWNYEKTBHV-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753359714 1440382159 /nfs/dbraw/zinc/38/21/59/1440382159.db2.gz JNICHYZSDNBJHB-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1)CC(C)(C)C ZINC001753425029 1440396503 /nfs/dbraw/zinc/39/65/03/1440396503.db2.gz MPIIFVFIIAMAPM-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001753448207 1440404973 /nfs/dbraw/zinc/40/49/73/1440404973.db2.gz PBDRLVIQDDQLCV-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C)cc1C ZINC001753477955 1440415695 /nfs/dbraw/zinc/41/56/95/1440415695.db2.gz RGTMSVRSDAKIPV-UXHICEINSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]Cc2ccc(C)cc2)C1 ZINC001753485434 1440417733 /nfs/dbraw/zinc/41/77/33/1440417733.db2.gz XSTMSCSWBBXGLQ-UXHICEINSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)=CC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001753505274 1440424234 /nfs/dbraw/zinc/42/42/34/1440424234.db2.gz AUESEHXREDOGNS-UHFFFAOYSA-N 2 0 340.471 3.241 20 0 EGADRP C[C@@H]([NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC001753510269 1440425758 /nfs/dbraw/zinc/42/57/58/1440425758.db2.gz NUCCDSACJDWNDE-QZTJIDSGSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH2+]CCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001753523855 1440429049 /nfs/dbraw/zinc/42/90/49/1440429049.db2.gz RNQFKODZQJHXRH-MDKPJZGXSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH2+]C[C@@]1(NC(=O)c2ccc(C[NH+](CC)CC)o2)CCCC[C@H]1C ZINC001753538049 1440433085 /nfs/dbraw/zinc/43/30/85/1440433085.db2.gz VWAWSCUIYBDTRD-UZLBHIALSA-N 2 0 349.519 3.410 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001753548033 1440434481 /nfs/dbraw/zinc/43/44/81/1440434481.db2.gz HLSQAZJBWFNMFE-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753547870 1440434557 /nfs/dbraw/zinc/43/45/57/1440434557.db2.gz FZOWRPUZSGXYKM-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001753581545 1440440255 /nfs/dbraw/zinc/44/02/55/1440440255.db2.gz RYHGVOXUXGGJAH-VBSBHUPXSA-N 2 0 345.531 3.413 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001753586529 1440441484 /nfs/dbraw/zinc/44/14/84/1440441484.db2.gz RPFGXEJPHUCZPN-WTGUMLROSA-N 2 0 349.563 3.457 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001753587632 1440441773 /nfs/dbraw/zinc/44/17/73/1440441773.db2.gz XQMPWIHRABCJBP-MXVIHJGJSA-N 2 0 345.531 3.162 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001753587648 1440441845 /nfs/dbraw/zinc/44/18/45/1440441845.db2.gz LBKZTUJJRGMUJQ-GUKTUGNZSA-N 2 0 349.563 3.480 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001753587943 1440441942 /nfs/dbraw/zinc/44/19/42/1440441942.db2.gz TURNPDUYRWCDFN-BMOGMMAESA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)CC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001753588975 1440442340 /nfs/dbraw/zinc/44/23/40/1440442340.db2.gz JAZMPOCUXWQSSR-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP O=C(C[NH+]1CCCC1)NCc1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC001753592383 1440443273 /nfs/dbraw/zinc/44/32/73/1440443273.db2.gz LEHXQYDAIAQCRZ-UHFFFAOYSA-N 2 0 343.515 3.069 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001753595428 1440444500 /nfs/dbraw/zinc/44/45/00/1440444500.db2.gz XUMOWMZWCKFTHL-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CCC(CCNC(=O)CC[NH+](C)C)CC2)c1 ZINC001753596846 1440444992 /nfs/dbraw/zinc/44/49/92/1440444992.db2.gz IUUFZIKHIDXZMR-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CCC(C)C)CC1 ZINC001753599509 1440445990 /nfs/dbraw/zinc/44/59/90/1440445990.db2.gz DGFSDFPZWOZQMD-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC(C)(C)C ZINC001753632113 1440452321 /nfs/dbraw/zinc/45/23/21/1440452321.db2.gz HLUPBVGGNZTAII-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CCC1CCCCCC1 ZINC001753637820 1440453601 /nfs/dbraw/zinc/45/36/01/1440453601.db2.gz ONNGCDXBZUJJKO-IEBWSBKVSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1)c1ccc(F)cc1 ZINC001753695900 1440467491 /nfs/dbraw/zinc/46/74/91/1440467491.db2.gz AKDNEGOKUDZPAA-DNVCBOLYSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753695835 1440467598 /nfs/dbraw/zinc/46/75/98/1440467598.db2.gz ZBWHIHYUMIQXKP-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001753698732 1440467929 /nfs/dbraw/zinc/46/79/29/1440467929.db2.gz JONNGISECMSNRW-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753738485 1440478425 /nfs/dbraw/zinc/47/84/25/1440478425.db2.gz JXAXVFPEBRYRAO-YTQUADARSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CCCCC2)CC[N@@H+]1C ZINC001753746186 1440481024 /nfs/dbraw/zinc/48/10/24/1440481024.db2.gz PSMOLYZKFIYBLP-SLFFLAALSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001753798555 1440490409 /nfs/dbraw/zinc/49/04/09/1440490409.db2.gz XWVTZUMIKCJQMC-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001753835420 1440500824 /nfs/dbraw/zinc/50/08/24/1440500824.db2.gz RXUDTJBMLKSVKO-IBGZPJMESA-N 2 0 344.503 3.423 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc2ccccc2c1 ZINC001753867503 1440515570 /nfs/dbraw/zinc/51/55/70/1440515570.db2.gz UUIQBILDHASXTB-UHFFFAOYSA-N 2 0 341.499 3.072 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753877780 1440520017 /nfs/dbraw/zinc/52/00/17/1440520017.db2.gz JOFPMYNYJYGLDN-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001753895655 1440522754 /nfs/dbraw/zinc/52/27/54/1440522754.db2.gz YXVVLXZVWFRXJM-RBUKOAKNSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753971283 1440527179 /nfs/dbraw/zinc/52/71/79/1440527179.db2.gz WBNOXPVIONFRRH-FXAWDEMLSA-N 2 0 343.515 3.078 20 0 EGADRP Cc1c(C(=O)N[C@H](C)CC[NH2+]CCCC2CCC2)ccc2c[nH+]cn21 ZINC001753977856 1440527722 /nfs/dbraw/zinc/52/77/22/1440527722.db2.gz CESKQFVJTSGGQX-OAHLLOKOSA-N 2 0 342.487 3.321 20 0 EGADRP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1C ZINC001754004901 1440530563 /nfs/dbraw/zinc/53/05/63/1440530563.db2.gz LGAWOVXJNYBDEX-GOSISDBHSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)C[NH+]1CCCC1 ZINC001754023195 1440532625 /nfs/dbraw/zinc/53/26/25/1440532625.db2.gz PTRUQRCIZRRYFX-KRWDZBQOSA-N 2 0 345.531 3.064 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754024943 1440533064 /nfs/dbraw/zinc/53/30/64/1440533064.db2.gz AJTTXKJBJBJDTD-RBUKOAKNSA-N 2 0 345.531 3.416 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001754228493 1440553736 /nfs/dbraw/zinc/55/37/36/1440553736.db2.gz KCGOGSVAWIEMND-OXQOHEQNSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001754285879 1440564231 /nfs/dbraw/zinc/56/42/31/1440564231.db2.gz PLVDASMOOAUSAY-PKOBYXMFSA-N 2 0 335.536 3.234 20 0 EGADRP C[C@H](C[N@H+](C)Cc1cc2ccccc2s1)NC(=O)CCC[NH+](C)C ZINC001754324274 1440579708 /nfs/dbraw/zinc/57/97/08/1440579708.db2.gz RFSMZZFFPQFKDP-OAHLLOKOSA-N 2 0 347.528 3.180 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754331406 1440584139 /nfs/dbraw/zinc/58/41/39/1440584139.db2.gz SLOVFGDKBIOBQX-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CCC[NH+]1CCCCC1 ZINC001754332948 1440585190 /nfs/dbraw/zinc/58/51/90/1440585190.db2.gz IYEPUEPCEJXDGQ-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(N[C@@H](C[NH2+]CCC1CC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754449257 1440600567 /nfs/dbraw/zinc/60/05/67/1440600567.db2.gz NUFSDOQMGCPREI-VQTJNVASSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(N[C@H](C[NH2+]CCC1CC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754449258 1440600593 /nfs/dbraw/zinc/60/05/93/1440600593.db2.gz NUFSDOQMGCPREI-WOJBJXKFSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001754463976 1440603900 /nfs/dbraw/zinc/60/39/00/1440603900.db2.gz HHKIFAZXJACSPW-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001754470912 1440605441 /nfs/dbraw/zinc/60/54/41/1440605441.db2.gz SIZWXIDXIIWZHE-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001754629641 1440647276 /nfs/dbraw/zinc/64/72/76/1440647276.db2.gz IHMFHJQEOUXZJB-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C2CCCC2)CC1 ZINC001754650511 1440651802 /nfs/dbraw/zinc/65/18/02/1440651802.db2.gz NJVKWYPVLPOHDI-FQEVSTJZSA-N 2 0 347.547 3.093 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001754660428 1440654692 /nfs/dbraw/zinc/65/46/92/1440654692.db2.gz WSSBQBLUQKQULQ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001754661253 1440654987 /nfs/dbraw/zinc/65/49/87/1440654987.db2.gz ANXZZOLEPLGLHF-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001754662400 1440655383 /nfs/dbraw/zinc/65/53/83/1440655383.db2.gz YKSHODNQVZBCBF-HXUWFJFHSA-N 2 0 337.552 3.223 20 0 EGADRP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001754703176 1440668391 /nfs/dbraw/zinc/66/83/91/1440668391.db2.gz JVNGRAIKPGUBPC-TZIWHRDSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734410 1440681596 /nfs/dbraw/zinc/68/15/96/1440681596.db2.gz VJHPCSNPTYRHSF-WIYYLYMNSA-N 2 0 343.515 3.062 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754798359 1440690047 /nfs/dbraw/zinc/69/00/47/1440690047.db2.gz YJYUPCDWAXJNQP-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001754947998 1440713977 /nfs/dbraw/zinc/71/39/77/1440713977.db2.gz DPBYCHGITHGHTN-GMLHSMKSSA-N 2 0 349.906 3.048 20 0 EGADRP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001754961696 1440717823 /nfs/dbraw/zinc/71/78/23/1440717823.db2.gz CRJMQGDXCYDWCO-ZMBJWTFHSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001754980538 1440721091 /nfs/dbraw/zinc/72/10/91/1440721091.db2.gz HKLSBWWYDXFDPQ-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001754980480 1440721214 /nfs/dbraw/zinc/72/12/14/1440721214.db2.gz DWKMERYDXUIEOO-MSOLQXFVSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755026777 1440729051 /nfs/dbraw/zinc/72/90/51/1440729051.db2.gz WUBHRAKGGIJLEI-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755038073 1440735541 /nfs/dbraw/zinc/73/55/41/1440735541.db2.gz LXXYFDJXARTWJD-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001755042961 1440738664 /nfs/dbraw/zinc/73/86/64/1440738664.db2.gz YBCGBKKNJBKKJR-GOSISDBHSA-N 2 0 345.531 3.178 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001755048035 1440742305 /nfs/dbraw/zinc/74/23/05/1440742305.db2.gz SVTDRGNGEGXMDJ-UXHICEINSA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CC)([NH2+]CCC3CC3)CC2)C1 ZINC001755070926 1440746559 /nfs/dbraw/zinc/74/65/59/1440746559.db2.gz BPZNQGMBAWLCJS-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]C1(CC)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755071827 1440746877 /nfs/dbraw/zinc/74/68/77/1440746877.db2.gz HSHZQTMJBKGJPI-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001755073083 1440747410 /nfs/dbraw/zinc/74/74/10/1440747410.db2.gz FYUGXEYLXVWFGJ-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001755121377 1440755656 /nfs/dbraw/zinc/75/56/56/1440755656.db2.gz HKFVCYCTNXUMBG-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142703 1440761539 /nfs/dbraw/zinc/76/15/39/1440761539.db2.gz DQNQXLHOYRXYAO-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C)cs1 ZINC001755162666 1440765393 /nfs/dbraw/zinc/76/53/93/1440765393.db2.gz YBMKYJRRHKPPKT-PBHICJAKSA-N 2 0 349.544 3.010 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001755249223 1440791297 /nfs/dbraw/zinc/79/12/97/1440791297.db2.gz OCJKAAXHDVFHEJ-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP CC(C)c1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001755300518 1440808247 /nfs/dbraw/zinc/80/82/47/1440808247.db2.gz RFFSNYRJSMFCCU-SQGPQFPESA-N 2 0 345.531 3.087 20 0 EGADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001755318948 1440817275 /nfs/dbraw/zinc/81/72/75/1440817275.db2.gz DUTDSLPHURKMKK-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001755352846 1440828295 /nfs/dbraw/zinc/82/82/95/1440828295.db2.gz PBLYTLIMRVDPSJ-OALUTQOASA-N 2 0 347.547 3.212 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755376552 1440838346 /nfs/dbraw/zinc/83/83/46/1440838346.db2.gz FQXSWCFNTACHBN-SJLPKXTDSA-N 2 0 337.552 3.122 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001755414051 1440847768 /nfs/dbraw/zinc/84/77/68/1440847768.db2.gz OMOQQSOOKVFRGW-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415449 1440848343 /nfs/dbraw/zinc/84/83/43/1440848343.db2.gz INVKRWYQNWZJOL-MAUKXSAKSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H](C[NH2+]CCCC2CCC2)C2CC2)CC[N@@H+]1C ZINC001755566282 1440875855 /nfs/dbraw/zinc/87/58/55/1440875855.db2.gz QCDIMXCXZRZDPC-FFZOFVMBSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001755566917 1440876031 /nfs/dbraw/zinc/87/60/31/1440876031.db2.gz DFUGDLWGHHZHGI-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001755573749 1440877634 /nfs/dbraw/zinc/87/76/34/1440877634.db2.gz TXYLNZWDQJXICP-FXAWDEMLSA-N 2 0 345.531 3.223 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@H]2C)cc1 ZINC001755665479 1440893345 /nfs/dbraw/zinc/89/33/45/1440893345.db2.gz WZALGBQFGSJORV-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755686197 1440895913 /nfs/dbraw/zinc/89/59/13/1440895913.db2.gz HTIFMJUXNKMMPP-SJLPKXTDSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755685932 1440895929 /nfs/dbraw/zinc/89/59/29/1440895929.db2.gz CWWWTLZRIJVCCA-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001755687629 1440896151 /nfs/dbraw/zinc/89/61/51/1440896151.db2.gz BQOBUEYBMURUFX-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001755691613 1440896767 /nfs/dbraw/zinc/89/67/67/1440896767.db2.gz ZOQWSOMGSLNRPH-PORCLINASA-N 2 0 349.563 3.432 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CC3(CCC3)C1)CC2 ZINC001755704391 1440901891 /nfs/dbraw/zinc/90/18/91/1440901891.db2.gz LCBWVTQLGJOXBP-GHTZIAJQSA-N 2 0 347.547 3.022 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@]3(NC(=O)CCC[NH+]4CCCC4)CCC[C@@H]23)C1 ZINC001755704793 1440902094 /nfs/dbraw/zinc/90/20/94/1440902094.db2.gz QHDGPKFQVQETBU-SDVBZNEUSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755706464 1440902649 /nfs/dbraw/zinc/90/26/49/1440902649.db2.gz ACOZSGKLYPCOAC-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001755746343 1440912510 /nfs/dbraw/zinc/91/25/10/1440912510.db2.gz HDXBSFPYAVOCQQ-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755765112 1440915983 /nfs/dbraw/zinc/91/59/83/1440915983.db2.gz IUZAUMNPRQTBGH-MAUKXSAKSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)N(CC[N@H+](C)CC1CCCCC1)C(=O)C[NH+](C)C(C)C ZINC001755815623 1440923479 /nfs/dbraw/zinc/92/34/79/1440923479.db2.gz QCLUJIGYZVQUBP-UHFFFAOYSA-N 2 0 325.541 3.076 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001755832582 1440929139 /nfs/dbraw/zinc/92/91/39/1440929139.db2.gz PZJKCWIRPKAYCD-WMZOPIPTSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001755844601 1440932834 /nfs/dbraw/zinc/93/28/34/1440932834.db2.gz BXZJHQHYFARTPD-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1OC(F)F ZINC000368950302 168383776 /nfs/dbraw/zinc/38/37/76/168383776.db2.gz LVUMYWRZDIDYFP-UHFFFAOYSA-N 2 0 340.414 3.357 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178105170 232084035 /nfs/dbraw/zinc/08/40/35/232084035.db2.gz XBRCVPQDLMZPMB-IBGZPJMESA-N 2 0 343.515 3.019 20 0 EGADRP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000370635060 168522309 /nfs/dbraw/zinc/52/23/09/168522309.db2.gz NWCVGBPWNQQRNS-RTBURBONSA-N 2 0 329.532 3.431 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(C)ccc1OC ZINC000371450466 168609666 /nfs/dbraw/zinc/60/96/66/168609666.db2.gz ZKIUVJYPYLVBGA-PXNSSMCTSA-N 2 0 345.531 3.213 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000262310575 201202815 /nfs/dbraw/zinc/20/28/15/201202815.db2.gz YWMRNUFYPMVHIN-FQEVSTJZSA-N 2 0 339.483 3.153 20 0 EGADRP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272880092 201252250 /nfs/dbraw/zinc/25/22/50/201252250.db2.gz XQZZYPRNQXOZEP-FUHWJXTLSA-N 2 0 332.488 3.218 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749007 549326229 /nfs/dbraw/zinc/32/62/29/549326229.db2.gz GEGQPWVBFLYLJV-FQEVSTJZSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749780 549326251 /nfs/dbraw/zinc/32/62/51/549326251.db2.gz SOEZKMMMSSVRTQ-WOJBJXKFSA-N 2 0 329.532 3.359 20 0 EGADRP COc1ccc(Br)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000227327787 242130218 /nfs/dbraw/zinc/13/02/18/242130218.db2.gz CFWHMGSDVFNEMR-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000093213560 203098091 /nfs/dbraw/zinc/09/80/91/203098091.db2.gz TUNPFEGACJEFBO-WCFLWFBJSA-N 2 0 327.266 3.378 20 0 EGADRP CN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098117 204097577 /nfs/dbraw/zinc/09/75/77/204097577.db2.gz XWOHPRXWJSDOTI-GFCCVEGCSA-N 2 0 344.286 3.206 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc4ccccc34)C2)CC1 ZINC000107372110 204235469 /nfs/dbraw/zinc/23/54/69/204235469.db2.gz ZVNKHFRYYMBYIP-KRWDZBQOSA-N 2 0 329.513 3.113 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000125307565 205004220 /nfs/dbraw/zinc/00/42/20/205004220.db2.gz XANKOWVIUBTAFS-HNNXBMFYSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1)N1CC[NH+](C)CC1 ZINC000127779773 205116942 /nfs/dbraw/zinc/11/69/42/205116942.db2.gz KFELJUKCRIZQBZ-IAGOWNOFSA-N 2 0 327.472 3.233 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1F ZINC000128337723 205142981 /nfs/dbraw/zinc/14/29/81/205142981.db2.gz UNGLTZHVQMZKDK-OAHLLOKOSA-N 2 0 339.524 3.226 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000130519997 205243154 /nfs/dbraw/zinc/24/31/54/205243154.db2.gz BPANHJCBAMAIEB-UHFFFAOYSA-N 2 0 339.439 3.437 20 0 EGADRP COCc1cc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)ccc1OC ZINC000130648174 205249384 /nfs/dbraw/zinc/24/93/84/205249384.db2.gz RSWRCKYQYUIAGK-OAHLLOKOSA-N 2 0 339.439 3.383 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000131169351 205276029 /nfs/dbraw/zinc/27/60/29/205276029.db2.gz AFXMOYLWNUHCPP-UHFFFAOYSA-N 2 0 330.303 3.063 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132509921 205329071 /nfs/dbraw/zinc/32/90/71/205329071.db2.gz HPHNWBQVFHTERJ-LQWHRVPQSA-N 2 0 347.547 3.049 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)CC1 ZINC000132644230 205334267 /nfs/dbraw/zinc/33/42/67/205334267.db2.gz IFHYLMHXZARGTH-QFIPXVFZSA-N 2 0 336.479 3.420 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)o1 ZINC000132992428 205351341 /nfs/dbraw/zinc/35/13/41/205351341.db2.gz HXDRHLUEUCISFO-UHFFFAOYSA-N 2 0 328.456 3.089 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)c1ccccc1 ZINC000343801430 284371260 /nfs/dbraw/zinc/37/12/60/284371260.db2.gz IWQLOWUBBPLQBB-HFSMHLIXSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000157702358 206150672 /nfs/dbraw/zinc/15/06/72/206150672.db2.gz GHTDDUBFGSAVHU-CVAIRZPRSA-N 2 0 332.488 3.235 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000159198718 206231665 /nfs/dbraw/zinc/23/16/65/206231665.db2.gz IGDOGOGOFIPADH-CQSZACIVSA-N 2 0 342.430 3.440 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000265209583 247299877 /nfs/dbraw/zinc/29/98/77/247299877.db2.gz UEOVNYNOCQHVPL-APWZRJJASA-N 2 0 329.488 3.395 20 0 EGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000265353250 247431387 /nfs/dbraw/zinc/43/13/87/247431387.db2.gz XXDMTDDOZUPACR-LJQANCHMSA-N 2 0 343.515 3.086 20 0 EGADRP Cc1noc(C)c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335106 169010968 /nfs/dbraw/zinc/01/09/68/169010968.db2.gz FRZUEHOYCBZLAH-MOPGFXCFSA-N 2 0 325.456 3.245 20 0 EGADRP CN(c1ccccc1C[N@@H+]1CCCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000378348589 169104973 /nfs/dbraw/zinc/10/49/73/169104973.db2.gz ZAORMAYWDIXBHG-UHFFFAOYSA-N 2 0 345.531 3.218 20 0 EGADRP O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262200086 284926654 /nfs/dbraw/zinc/92/66/54/284926654.db2.gz KHLQHSYLFUNTKI-GOSISDBHSA-N 2 0 347.890 3.087 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(N2CCOCC2)c1 ZINC000268705059 252156482 /nfs/dbraw/zinc/15/64/82/252156482.db2.gz BLXSBJTUYXIWLK-RBUKOAKNSA-N 2 0 345.531 3.438 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](CC)CC)c1cnn(C)c1 ZINC000268777056 252226520 /nfs/dbraw/zinc/22/65/20/252226520.db2.gz OLQPSQCJGQJDBV-IBGZPJMESA-N 2 0 344.503 3.382 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2ccc(F)c(Br)c2)CC1 ZINC000268797827 252249357 /nfs/dbraw/zinc/24/93/57/252249357.db2.gz FJLRLFMFMAREEM-UHFFFAOYSA-N 2 0 329.257 3.205 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000268812667 252263857 /nfs/dbraw/zinc/26/38/57/252263857.db2.gz BHQHJUBIHKIZDZ-GJZGRUSLSA-N 2 0 339.911 3.007 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000268861262 252310793 /nfs/dbraw/zinc/31/07/93/252310793.db2.gz ZBZOXLIURKENGI-DZGCQCFKSA-N 2 0 344.425 3.222 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)CN1CC[NH+](C)CC1 ZINC000180871478 207849473 /nfs/dbraw/zinc/84/94/73/207849473.db2.gz MSJLBBYKVDLBGS-QGZVFWFLSA-N 2 0 343.471 3.045 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1)C(C)C ZINC000361080434 285098571 /nfs/dbraw/zinc/09/85/71/285098571.db2.gz NYOIEWDXEGXXPG-PMACEKPBSA-N 2 0 343.515 3.035 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000345913888 285099221 /nfs/dbraw/zinc/09/92/21/285099221.db2.gz VTZOFZTXDJUION-GOSISDBHSA-N 2 0 345.531 3.361 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2c(cccc2F)[nH]1 ZINC000349081801 285281807 /nfs/dbraw/zinc/28/18/07/285281807.db2.gz WETCFHHMTBLJLX-KRWDZBQOSA-N 2 0 346.494 3.155 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000195026876 285338637 /nfs/dbraw/zinc/33/86/37/285338637.db2.gz XBAVPDUGBBIPSY-FCEWJHQRSA-N 2 0 349.494 3.043 20 0 EGADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630388 533286996 /nfs/dbraw/zinc/28/69/96/533286996.db2.gz JYHBWHPRFPVYEP-APWZRJJASA-N 2 0 343.515 3.131 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000182777992 140989520 /nfs/dbraw/zinc/98/95/20/140989520.db2.gz VKNMMIKVYIGOCS-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237442832 141002513 /nfs/dbraw/zinc/00/25/13/141002513.db2.gz UHSWOKBPYSUVAI-ROUUACIJSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000237512922 141005951 /nfs/dbraw/zinc/00/59/51/141005951.db2.gz ZMUJWIPEOWYSDS-CWFSZBLJSA-N 2 0 328.431 3.284 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338047348 141081078 /nfs/dbraw/zinc/08/10/78/141081078.db2.gz HEIXFVZMZIZRSC-NQSUBMFWSA-N 2 0 335.536 3.112 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](CC)C2)cc1 ZINC000338069180 141087323 /nfs/dbraw/zinc/08/73/23/141087323.db2.gz LASFBOVMXDVJEE-IBGZPJMESA-N 2 0 345.531 3.380 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC000342810988 141150043 /nfs/dbraw/zinc/15/00/43/141150043.db2.gz SFDDXRIEBNDGLJ-FUHWJXTLSA-N 2 0 332.488 3.064 20 0 EGADRP CC1(C)CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000346628401 141207921 /nfs/dbraw/zinc/20/79/21/141207921.db2.gz FGMIINNQKLENAA-IBGZPJMESA-N 2 0 343.515 3.181 20 0 EGADRP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347971599 141226398 /nfs/dbraw/zinc/22/63/98/141226398.db2.gz XYUFCUMNRNHOHF-SXLOBPIMSA-N 2 0 341.499 3.383 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000348155714 141240519 /nfs/dbraw/zinc/24/05/19/141240519.db2.gz OIDCWYQFALAROM-UHFFFAOYSA-N 2 0 332.488 3.082 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000353450633 141298889 /nfs/dbraw/zinc/29/88/89/141298889.db2.gz OVMREAANAXOPHZ-PMACEKPBSA-N 2 0 343.515 3.067 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C)[C@H]2C)cc1)C(C)C ZINC000356848065 141353903 /nfs/dbraw/zinc/35/39/03/141353903.db2.gz KNBHSJDBJZPLFK-DLBZAZTESA-N 2 0 331.504 3.082 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C ZINC000344686442 144209990 /nfs/dbraw/zinc/20/99/90/144209990.db2.gz RRHNEGWHFVEPJI-WMZOPIPTSA-N 2 0 325.456 3.233 20 0 EGADRP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000344872764 144234197 /nfs/dbraw/zinc/23/41/97/144234197.db2.gz MBGWJWOFWLMSGK-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCOc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000351495023 144269498 /nfs/dbraw/zinc/26/94/98/144269498.db2.gz OTAPXTSCQFRSEI-UHOFOFEASA-N 2 0 328.378 3.143 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363925558 144376642 /nfs/dbraw/zinc/37/66/42/144376642.db2.gz UGLFORZXBBHECO-XOKHGSTOSA-N 2 0 335.879 3.274 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000120678821 152292446 /nfs/dbraw/zinc/29/24/46/152292446.db2.gz CVQFIPVIRHWAFV-KURKYZTESA-N 2 0 345.531 3.404 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000121336142 152344580 /nfs/dbraw/zinc/34/45/80/152344580.db2.gz UQYJDSSEUQTNJE-NQIIRXRSSA-N 2 0 329.532 3.317 20 0 EGADRP Fc1ccc(CCN2CCC([NH2+]CCCOC(F)F)CC2)cc1 ZINC000194034367 153318543 /nfs/dbraw/zinc/31/85/43/153318543.db2.gz PNAZLKPNQYLIKT-UHFFFAOYSA-N 2 0 330.394 3.052 20 0 EGADRP [NH3+]Cc1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C(F)(F)F)c1 ZINC000262896957 153866308 /nfs/dbraw/zinc/86/63/08/153866308.db2.gz AXAUDMBTQBHGKM-FTNCPSPGSA-N 2 0 341.377 3.023 20 0 EGADRP Cc1cc(N2CC[NH+](CCCO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000340051558 155082774 /nfs/dbraw/zinc/08/27/74/155082774.db2.gz MBDVSWIJVKIFTJ-UHFFFAOYSA-N 2 0 333.863 3.009 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000345005897 155889538 /nfs/dbraw/zinc/88/95/38/155889538.db2.gz SOTBYBCWTZIYFF-OKYOBFRVSA-N 2 0 335.536 3.115 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@H]12 ZINC000346828917 156155557 /nfs/dbraw/zinc/15/55/57/156155557.db2.gz NQUGMRQRMIUMHF-NZSAHSFTSA-N 2 0 332.451 3.195 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C2CCCCC2)n1 ZINC000347019115 156252308 /nfs/dbraw/zinc/25/23/08/156252308.db2.gz LSMHRBMGGMHRND-IBGZPJMESA-N 2 0 330.520 3.432 20 0 EGADRP C[NH+]1CCC([C@H]2CCN(Cc3ccc(Br)cn3)C2)CC1 ZINC000349135244 156363237 /nfs/dbraw/zinc/36/32/37/156363237.db2.gz YCCNKTKTKADBNN-AWEZNQCLSA-N 2 0 338.293 3.008 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372445784 157333782 /nfs/dbraw/zinc/33/37/82/157333782.db2.gz LESPNWSUGDWDAZ-QUCCMNQESA-N 2 0 327.472 3.001 20 0 EGADRP CCC[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056522697 161523404 /nfs/dbraw/zinc/52/34/04/161523404.db2.gz OWHRLKCOQLKFOR-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093397838 162008864 /nfs/dbraw/zinc/00/88/64/162008864.db2.gz BNXKQJFMYOUFGQ-MJGOQNOKSA-N 2 0 333.520 3.070 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC000111068767 162143987 /nfs/dbraw/zinc/14/39/87/162143987.db2.gz OTAPZLCQKDOQTC-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCC1 ZINC000151657637 162597355 /nfs/dbraw/zinc/59/73/55/162597355.db2.gz SUAMFNPAGWLJDM-MJGOQNOKSA-N 2 0 333.520 3.152 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000248416702 163003027 /nfs/dbraw/zinc/00/30/27/163003027.db2.gz PYJITEAZPIEGKJ-UQVNRYHBSA-N 2 0 328.500 3.038 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000354311812 166001319 /nfs/dbraw/zinc/00/13/19/166001319.db2.gz NXJDEKUOGZDKLP-HQRMLTQVSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338582883 163282708 /nfs/dbraw/zinc/28/27/08/163282708.db2.gz UJHSNDOBZDUONM-MSOLQXFVSA-N 2 0 343.515 3.133 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccc21 ZINC000338692087 163319820 /nfs/dbraw/zinc/31/98/20/163319820.db2.gz HZNREIKDXWUYEV-ZWKOTPCHSA-N 2 0 332.488 3.346 20 0 EGADRP Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2ccnn2C)c1 ZINC000338945040 163397756 /nfs/dbraw/zinc/39/77/56/163397756.db2.gz KQAIJGAQPCZKLP-UHFFFAOYSA-N 2 0 326.488 3.169 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344164141 164117715 /nfs/dbraw/zinc/11/77/15/164117715.db2.gz IABYUHDIKCCNJH-OXJNMPFZSA-N 2 0 333.495 3.066 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000344173923 164119575 /nfs/dbraw/zinc/11/95/75/164119575.db2.gz PTUXMVGDHSUIDF-WOJBJXKFSA-N 2 0 343.515 3.095 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000344596272 164196044 /nfs/dbraw/zinc/19/60/44/164196044.db2.gz XGOYUWGWLUCVBH-ICSRJNTNSA-N 2 0 332.488 3.066 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000346652804 164410551 /nfs/dbraw/zinc/41/05/51/164410551.db2.gz IAOZRJAYMHCSLT-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000350200895 165018434 /nfs/dbraw/zinc/01/84/34/165018434.db2.gz CPJBBVYWVOYLIL-GOSISDBHSA-N 2 0 343.471 3.274 20 0 EGADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1Br ZINC000353499166 165782349 /nfs/dbraw/zinc/78/23/49/165782349.db2.gz UBMHWCDAZTWRQL-UHFFFAOYSA-N 2 0 341.293 3.420 20 0 EGADRP COc1ccccc1C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000359195396 167092559 /nfs/dbraw/zinc/09/25/59/167092559.db2.gz SKBCKMXLWGBLLY-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP C[N@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000359197900 167093103 /nfs/dbraw/zinc/09/31/03/167093103.db2.gz VSOLZCGPEAESCO-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP CC[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000359681326 167207852 /nfs/dbraw/zinc/20/78/52/167207852.db2.gz TWMJYHDRIHPFPX-GOSISDBHSA-N 2 0 333.520 3.134 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000359855128 167250888 /nfs/dbraw/zinc/25/08/88/167250888.db2.gz LSAGFVJOWIXUQA-UHFFFAOYSA-N 2 0 346.515 3.391 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363136449 167889117 /nfs/dbraw/zinc/88/91/17/167889117.db2.gz IRQBENNNQMYAGP-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c[nH+]ccc1N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366829626 168146340 /nfs/dbraw/zinc/14/63/40/168146340.db2.gz QXFVXLIQACLOSZ-UHFFFAOYSA-N 2 0 330.520 3.023 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366909667 168154940 /nfs/dbraw/zinc/15/49/40/168154940.db2.gz REJKRUFLZMEVEV-OZOXKJRCSA-N 2 0 342.458 3.359 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3c(Cl)nc4ccccn43)C2)CC1 ZINC000366956435 168161386 /nfs/dbraw/zinc/16/13/86/168161386.db2.gz TYMJGKUBBYOTDD-UHFFFAOYSA-N 2 0 332.879 3.296 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC000367041909 168171518 /nfs/dbraw/zinc/17/15/18/168171518.db2.gz BGVXWUIGJQCYDL-NRFANRHFSA-N 2 0 347.522 3.249 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000123406919 222272598 /nfs/dbraw/zinc/27/25/98/222272598.db2.gz LNKPSNUFJLEIOI-NXHRZFHOSA-N 2 0 347.503 3.325 20 0 EGADRP CC[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[NH+](CC)CC ZINC000345788300 287496434 /nfs/dbraw/zinc/49/64/34/287496434.db2.gz QHKDQJSPWBSDCP-IAGOWNOFSA-N 2 0 335.492 3.043 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354563 265249112 /nfs/dbraw/zinc/24/91/12/265249112.db2.gz KBRGWBJALUQWQW-MAUKXSAKSA-N 2 0 349.906 3.109 20 0 EGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634983 265333646 /nfs/dbraw/zinc/33/36/46/265333646.db2.gz JTWWSMOCCOTBPR-MRXNPFEDSA-N 2 0 326.488 3.291 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2nsnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273302691 267017210 /nfs/dbraw/zinc/01/72/10/267017210.db2.gz RPIAWQLRAPMZDJ-UKRRQHHQSA-N 2 0 330.501 3.434 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000273311433 267018400 /nfs/dbraw/zinc/01/84/00/267018400.db2.gz WSCUYSNKYMBOIV-KURKYZTESA-N 2 0 334.504 3.483 20 0 EGADRP Cc1noc(CCC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000274070548 267174707 /nfs/dbraw/zinc/17/47/07/267174707.db2.gz REYHQZBXQQCLMQ-IGOJGBNBSA-N 2 0 342.487 3.057 20 0 EGADRP CC[NH+]1CCC(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000274682865 267272336 /nfs/dbraw/zinc/27/23/36/267272336.db2.gz RVQJHUPIGYBSPN-QGZVFWFLSA-N 2 0 343.437 3.382 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274919815 267306691 /nfs/dbraw/zinc/30/66/91/267306691.db2.gz LCZGOXBSLBJECS-ZHALLVOQSA-N 2 0 345.531 3.180 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275584392 267385479 /nfs/dbraw/zinc/38/54/79/267385479.db2.gz NWTUXWAYNKJHIC-UXHICEINSA-N 2 0 330.516 3.223 20 0 EGADRP Brc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cs1 ZINC000278554596 268038826 /nfs/dbraw/zinc/03/88/26/268038826.db2.gz ZSPNYLIGMAYKHS-UHFFFAOYSA-N 2 0 329.307 3.475 20 0 EGADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183141139 275210507 /nfs/dbraw/zinc/21/05/07/275210507.db2.gz IOIZHIZSTWXCDS-UWHLTILDSA-N 2 0 330.516 3.284 20 0 EGADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000194844244 275227891 /nfs/dbraw/zinc/22/78/91/275227891.db2.gz YVNCDXBZGVCNTA-SJLPKXTDSA-N 2 0 335.561 3.331 20 0 EGADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000194895536 275229458 /nfs/dbraw/zinc/22/94/58/275229458.db2.gz BTVXBAATJQNSAZ-OXJNMPFZSA-N 2 0 344.499 3.163 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(OCC[NH+](C)C)c1 ZINC000268819632 275235952 /nfs/dbraw/zinc/23/59/52/275235952.db2.gz NRUGTPSXBMXCJC-DNVCBOLYSA-N 2 0 342.487 3.089 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1Cl ZINC000271889199 275238810 /nfs/dbraw/zinc/23/88/10/275238810.db2.gz RNGJDNDWPKPDEW-AWEZNQCLSA-N 2 0 335.879 3.217 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278734739 275270028 /nfs/dbraw/zinc/27/00/28/275270028.db2.gz WLCKQUSAWBCTNF-IEBWSBKVSA-N 2 0 332.488 3.299 20 0 EGADRP O[C@@H](Cc1ccc2ccccc2c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000279758566 275356836 /nfs/dbraw/zinc/35/68/36/275356836.db2.gz RDCYLCKTIXONHK-UGKGYDQZSA-N 2 0 338.495 3.161 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000280900010 275505091 /nfs/dbraw/zinc/50/50/91/275505091.db2.gz PRMJFLRSJHOIMC-FXAWDEMLSA-N 2 0 329.532 3.415 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000121021201 275697866 /nfs/dbraw/zinc/69/78/66/275697866.db2.gz ZDHQFHYBIQPNMY-CTNGQTDRSA-N 2 0 331.548 3.117 20 0 EGADRP O=C(NCCCCCCC[NH+]1CCCC1)c1ccc2c[nH+]cn2c1 ZINC000283844260 275756302 /nfs/dbraw/zinc/75/63/02/275756302.db2.gz HOEUTIGMNMNYRE-UHFFFAOYSA-N 2 0 328.460 3.110 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000349087338 276006863 /nfs/dbraw/zinc/00/68/63/276006863.db2.gz GRXBKOISZPPMFZ-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000286954838 276062477 /nfs/dbraw/zinc/06/24/77/276062477.db2.gz HPINYDPGHUAFBX-APWZRJJASA-N 2 0 346.519 3.109 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287259217 276101802 /nfs/dbraw/zinc/10/18/02/276101802.db2.gz AIBOBMGECIBQDN-GOSISDBHSA-N 2 0 341.503 3.430 20 0 EGADRP COCCc1ccnc(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000287557778 276132964 /nfs/dbraw/zinc/13/29/64/276132964.db2.gz QAVAUXPLKKFWDN-MRXNPFEDSA-N 2 0 343.471 3.384 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360839908 276196991 /nfs/dbraw/zinc/19/69/91/276196991.db2.gz ZNMADZPQJPLYCF-PXNSSMCTSA-N 2 0 329.532 3.415 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000127235368 276202980 /nfs/dbraw/zinc/20/29/80/276202980.db2.gz MPICUUQHTRFYCR-YESZJQIVSA-N 2 0 349.494 3.043 20 0 EGADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000288352486 276205208 /nfs/dbraw/zinc/20/52/08/276205208.db2.gz CGBUAQZCQKIEAA-IIBYNOLFSA-N 2 0 337.467 3.398 20 0 EGADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000288352478 276205237 /nfs/dbraw/zinc/20/52/37/276205237.db2.gz CGBUAQZCQKIEAA-HRAATJIYSA-N 2 0 337.467 3.398 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000343256734 276253211 /nfs/dbraw/zinc/25/32/11/276253211.db2.gz PXAYVWRVNNNWGM-RXVVDRJESA-N 2 0 329.532 3.348 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc21 ZINC000289185112 276301470 /nfs/dbraw/zinc/30/14/70/276301470.db2.gz INJMALMQGIYUFQ-OXJNMPFZSA-N 2 0 336.483 3.172 20 0 EGADRP Cc1ccncc1CCC[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000289330346 276322901 /nfs/dbraw/zinc/32/29/01/276322901.db2.gz UVSBIHZQPHUQHP-UHFFFAOYSA-N 2 0 327.472 3.053 20 0 EGADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289418177 276335954 /nfs/dbraw/zinc/33/59/54/276335954.db2.gz IRZSJYQTERILAM-SFHVURJKSA-N 2 0 347.522 3.106 20 0 EGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290487809 276501606 /nfs/dbraw/zinc/50/16/06/276501606.db2.gz XQCAAUIENMSQMW-HRAATJIYSA-N 2 0 339.483 3.435 20 0 EGADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236986124 276522625 /nfs/dbraw/zinc/52/26/25/276522625.db2.gz LWUYPYGPVQBWLE-VQIMIIECSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1cccs1 ZINC000358503850 277225038 /nfs/dbraw/zinc/22/50/38/277225038.db2.gz HBFJPJXKXVNWNJ-KRWDZBQOSA-N 2 0 349.544 3.027 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000344242490 279140624 /nfs/dbraw/zinc/14/06/24/279140624.db2.gz YCALVOMYLXDQLQ-VQTJNVASSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000343775031 279234546 /nfs/dbraw/zinc/23/45/46/279234546.db2.gz TZGYFJKHVOGKGD-LYYGHALDSA-N 2 0 343.515 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000354266104 279278125 /nfs/dbraw/zinc/27/81/25/279278125.db2.gz MPNIIGATFJBCLP-VQTJNVASSA-N 2 0 343.515 3.123 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)CN1CC[NH+](C)CC1 ZINC000120885686 279350890 /nfs/dbraw/zinc/35/08/90/279350890.db2.gz IXNHEZAIJRMHJO-IJEWVQPXSA-N 2 0 339.574 3.147 20 0 EGADRP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000091333369 279351962 /nfs/dbraw/zinc/35/19/62/279351962.db2.gz OCNPBVIZBYEJBA-UZLBHIALSA-N 2 0 333.495 3.283 20 0 EGADRP Cc1ccc2[nH+]ccc(N3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)c2c1 ZINC000354575361 281169791 /nfs/dbraw/zinc/16/97/91/281169791.db2.gz MBYVDKXUVAEHRU-QGZVFWFLSA-N 2 0 338.499 3.148 20 0 EGADRP CN(CCC[N@H+](C)CC1CCC(C(F)(F)F)CC1)CC[NH+](C)C ZINC000344047060 289132299 /nfs/dbraw/zinc/13/22/99/289132299.db2.gz YFDBKWNSRPYOGP-UHFFFAOYSA-N 2 0 337.474 3.170 20 0 EGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000325284306 290238263 /nfs/dbraw/zinc/23/82/63/290238263.db2.gz JQWGHJZXNJIYAP-CYBMUJFWSA-N 2 0 346.393 3.476 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261679377 290393069 /nfs/dbraw/zinc/39/30/69/290393069.db2.gz GQTATEGDXKNVEL-SQGPQFPESA-N 2 0 343.515 3.052 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937254 307461676 /nfs/dbraw/zinc/46/16/76/307461676.db2.gz MBMDDQZWPCXVSN-MRXNPFEDSA-N 2 0 327.472 3.435 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000120893614 307512609 /nfs/dbraw/zinc/51/26/09/307512609.db2.gz IRTGELDVXFHQLG-JKSUJKDBSA-N 2 0 335.561 3.161 20 0 EGADRP CCc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123505655 307539914 /nfs/dbraw/zinc/53/99/14/307539914.db2.gz GDLUCSFBLMHQJK-UHFFFAOYSA-N 2 0 331.504 3.241 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1)CN1CC[NH+](C)CC1 ZINC000414083202 309059875 /nfs/dbraw/zinc/05/98/75/309059875.db2.gz WAHFMNJZHHJYNK-POAQFYNOSA-N 2 0 349.950 3.449 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414083176 309059904 /nfs/dbraw/zinc/05/99/04/309059904.db2.gz VYVZEYUNNDKPKH-IRXDYDNUSA-N 2 0 326.525 3.059 20 0 EGADRP CCC(CC)(CNC(=O)C[C@@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000130764269 307633984 /nfs/dbraw/zinc/63/39/84/307633984.db2.gz ASHKAEGHVFQOAQ-SJORKVTESA-N 2 0 331.504 3.012 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000414104612 309061133 /nfs/dbraw/zinc/06/11/33/309061133.db2.gz ZHYTXBSJVYVNAI-ORYQWCPZSA-N 2 0 346.515 3.422 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000414172699 309064542 /nfs/dbraw/zinc/06/45/42/309064542.db2.gz FBWYNMKXZQARHF-ZYSHUDEJSA-N 2 0 332.488 3.235 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(N2CCCC2=O)c1 ZINC000414194575 309066123 /nfs/dbraw/zinc/06/61/23/309066123.db2.gz VUHSGJHUFABSDP-OAHLLOKOSA-N 2 0 334.423 3.312 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H](C)O1 ZINC000414271690 309069842 /nfs/dbraw/zinc/06/98/42/309069842.db2.gz XEFJCGYZJRTYFB-UYPUKZBLSA-N 2 0 328.500 3.300 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000155617253 307817416 /nfs/dbraw/zinc/81/74/16/307817416.db2.gz SRPRZTRFVMRBRY-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000155625903 307817604 /nfs/dbraw/zinc/81/76/04/307817604.db2.gz VBNROGAPZVEJAD-CABCVRRESA-N 2 0 339.524 3.224 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000158164372 307855643 /nfs/dbraw/zinc/85/56/43/307855643.db2.gz PPYZMTJQDZCDSE-UHFFFAOYSA-N 2 0 335.458 3.115 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000162511370 307913888 /nfs/dbraw/zinc/91/38/88/307913888.db2.gz QCPIFVALFKYAFE-GOSISDBHSA-N 2 0 338.499 3.037 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccnc2)[C@@H](C)C1 ZINC000414329818 309073349 /nfs/dbraw/zinc/07/33/49/309073349.db2.gz IQQUMUIXUPYRPV-PKOBYXMFSA-N 2 0 333.520 3.086 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000248510516 308004675 /nfs/dbraw/zinc/00/46/75/308004675.db2.gz ZYIICLLUULLJLW-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000248896603 308014581 /nfs/dbraw/zinc/01/45/81/308014581.db2.gz LSUNMEBIRRUANY-IEBWSBKVSA-N 2 0 346.515 3.276 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000414429750 309079500 /nfs/dbraw/zinc/07/95/00/309079500.db2.gz IBSRZGCURHWQMC-HNNXBMFYSA-N 2 0 343.437 3.129 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000292897047 308077446 /nfs/dbraw/zinc/07/74/46/308077446.db2.gz GFZAONNFTQNZHV-YLJYHZDGSA-N 2 0 329.488 3.048 20 0 EGADRP Cc1sccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000293601763 308145428 /nfs/dbraw/zinc/14/54/28/308145428.db2.gz PAKKQZSRBGEDTH-UHFFFAOYSA-N 2 0 330.497 3.303 20 0 EGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000293644098 308149048 /nfs/dbraw/zinc/14/90/48/308149048.db2.gz OGEXKLKBHXNGPK-KRWDZBQOSA-N 2 0 342.483 3.096 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCC34CCCC4)ccn2)CC1 ZINC000293752031 308158699 /nfs/dbraw/zinc/15/86/99/308158699.db2.gz OGKYPVSPBGLZPX-SFHVURJKSA-N 2 0 328.504 3.036 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293799047 308162723 /nfs/dbraw/zinc/16/27/23/308162723.db2.gz RCWLUBSAZQDTOU-IAGOWNOFSA-N 2 0 345.487 3.416 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1OC ZINC000294910147 308270454 /nfs/dbraw/zinc/27/04/54/308270454.db2.gz DXEAUIQHBLPAJJ-DXJOGWAWSA-N 2 0 332.488 3.158 20 0 EGADRP C[N@H+](CCN1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000295009643 308281285 /nfs/dbraw/zinc/28/12/85/308281285.db2.gz SJCBHLUPXWVEMY-FPOVZHCZSA-N 2 0 327.516 3.067 20 0 EGADRP CC(C)C[C@H](C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000295356914 308318135 /nfs/dbraw/zinc/31/81/35/308318135.db2.gz RETZUJNVZFCMER-FPOVZHCZSA-N 2 0 329.532 3.313 20 0 EGADRP COCC[N@H+](C)CCCN[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296012295 308384322 /nfs/dbraw/zinc/38/43/22/308384322.db2.gz OWVPXEPQTQROFB-KRWDZBQOSA-N 2 0 343.471 3.493 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cs1 ZINC000296114130 308395092 /nfs/dbraw/zinc/39/50/92/308395092.db2.gz VAILXHIPEHMPIC-HNNXBMFYSA-N 2 0 330.501 3.054 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656843 309093966 /nfs/dbraw/zinc/09/39/66/309093966.db2.gz GHGXFZLFJYELIA-JKSUJKDBSA-N 2 0 339.487 3.229 20 0 EGADRP CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000414695404 309095839 /nfs/dbraw/zinc/09/58/39/309095839.db2.gz UPYAZCWUTYIOBN-JKSUJKDBSA-N 2 0 343.471 3.013 20 0 EGADRP CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414708580 309096521 /nfs/dbraw/zinc/09/65/21/309096521.db2.gz OFQRODZRPUTACC-INIZCTEOSA-N 2 0 345.531 3.006 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]1 ZINC000414709380 309096666 /nfs/dbraw/zinc/09/66/66/309096666.db2.gz JWBYFZONYRSEIC-KEYYUXOJSA-N 2 0 342.405 3.467 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1ccccc1 ZINC000414664382 309094329 /nfs/dbraw/zinc/09/43/29/309094329.db2.gz SSOJTYZOQPSFIJ-QFBILLFUSA-N 2 0 340.467 3.443 20 0 EGADRP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414772984 309099995 /nfs/dbraw/zinc/09/99/95/309099995.db2.gz WASQVXKFQVLFAF-GASCZTMLSA-N 2 0 330.863 3.162 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000414756004 309098927 /nfs/dbraw/zinc/09/89/27/309098927.db2.gz IPNQISMUOMZLSU-VXGBXAGGSA-N 2 0 329.257 3.408 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414770879 309099797 /nfs/dbraw/zinc/09/97/97/309099797.db2.gz PRQRRRFXUVYKRC-KDURUIRLSA-N 2 0 346.478 3.457 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c2ccccc12 ZINC000414777567 309100302 /nfs/dbraw/zinc/10/03/02/309100302.db2.gz FXQBLZASOUTHHY-KRWDZBQOSA-N 2 0 340.467 3.036 20 0 EGADRP Brc1csc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414785262 309101228 /nfs/dbraw/zinc/10/12/28/309101228.db2.gz SGBLJZGYPKACRI-NWDGAFQWSA-N 2 0 329.307 3.332 20 0 EGADRP COc1ccc2cc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)ccc2c1 ZINC000414789879 309101417 /nfs/dbraw/zinc/10/14/17/309101417.db2.gz OYWPDGQIHWKBBC-RTWAWAEBSA-N 2 0 340.467 3.177 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414789209 309101540 /nfs/dbraw/zinc/10/15/40/309101540.db2.gz XZLMQOSKSWMKFZ-ZWKOTPCHSA-N 2 0 332.488 3.053 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414799112 309102246 /nfs/dbraw/zinc/10/22/46/309102246.db2.gz JOLQIZFJALMFLK-ZFWWWQNUSA-N 2 0 338.377 3.108 20 0 EGADRP COc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414808689 309102777 /nfs/dbraw/zinc/10/27/77/309102777.db2.gz SONQKQZSQHDBDC-FZMZJTMJSA-N 2 0 327.266 3.065 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000414828220 309104162 /nfs/dbraw/zinc/10/41/62/309104162.db2.gz LWHNCOZOADRECK-AWEZNQCLSA-N 2 0 339.886 3.033 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414840972 309104955 /nfs/dbraw/zinc/10/49/55/309104955.db2.gz YSNLMXSCBLBBGC-LLVKDONJSA-N 2 0 329.307 3.260 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828571 309104359 /nfs/dbraw/zinc/10/43/59/309104359.db2.gz IXQHZLDMNASTMQ-QWHCGFSZSA-N 2 0 343.393 3.012 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301513270 308703302 /nfs/dbraw/zinc/70/33/02/308703302.db2.gz GGQDEHYZPCHMSK-IRXDYDNUSA-N 2 0 339.524 3.285 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414845292 309105111 /nfs/dbraw/zinc/10/51/11/309105111.db2.gz GACDOQJYLLXBPL-ZDUSSCGKSA-N 2 0 328.403 3.166 20 0 EGADRP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411489690 308941171 /nfs/dbraw/zinc/94/11/71/308941171.db2.gz MYWOKHHTCXTOKT-NZSAHSFTSA-N 2 0 337.552 3.026 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000413060889 309013907 /nfs/dbraw/zinc/01/39/07/309013907.db2.gz LZSQXNQWQZHIOP-OAHLLOKOSA-N 2 0 341.455 3.317 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@H]([NH+]4CCCCC4)C3)c2cc1OC ZINC000413143379 309018097 /nfs/dbraw/zinc/01/80/97/309018097.db2.gz WHOJFSXRXPFEQC-HNNXBMFYSA-N 2 0 341.455 3.317 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCC[NH2+]C1 ZINC000414866440 309106254 /nfs/dbraw/zinc/10/62/54/309106254.db2.gz MWPDKKXCSCEDDL-QGZVFWFLSA-N 2 0 332.879 3.043 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414895176 309107827 /nfs/dbraw/zinc/10/78/27/309107827.db2.gz MRKIKFPPRISCKL-AWEZNQCLSA-N 2 0 332.419 3.240 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414896033 309107955 /nfs/dbraw/zinc/10/79/55/309107955.db2.gz ASPFRZHQAQOHEH-KRWDZBQOSA-N 2 0 326.868 3.227 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000414898654 309108095 /nfs/dbraw/zinc/10/80/95/309108095.db2.gz SZKFNBMJQXTVTO-CABZTGNLSA-N 2 0 344.299 3.386 20 0 EGADRP CC1(C)CCC[NH2+][C@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414934042 309109896 /nfs/dbraw/zinc/10/98/96/309109896.db2.gz UXJRFNGCDXDOBY-FQEVSTJZSA-N 2 0 347.522 3.200 20 0 EGADRP COc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Br ZINC000414979078 309112595 /nfs/dbraw/zinc/11/25/95/309112595.db2.gz UPAKTQWODIQUIU-CYBMUJFWSA-N 2 0 327.266 3.080 20 0 EGADRP CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1OC(F)F ZINC000414997841 309113252 /nfs/dbraw/zinc/11/32/52/309113252.db2.gz QCKWCULHHCSKIQ-TZMCWYRMSA-N 2 0 328.403 3.294 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002357 309113640 /nfs/dbraw/zinc/11/36/40/309113640.db2.gz MDCLKCICOOVTSZ-BVPXEZJJSA-N 2 0 347.522 3.419 20 0 EGADRP c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415014755 309114461 /nfs/dbraw/zinc/11/44/61/309114461.db2.gz XJJVZRHSFIGXDP-VQTJNVASSA-N 2 0 337.467 3.138 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415022664 309114772 /nfs/dbraw/zinc/11/47/72/309114772.db2.gz ZYJJAORGYHBVAP-CYBMUJFWSA-N 2 0 340.393 3.498 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000415021241 309114778 /nfs/dbraw/zinc/11/47/78/309114778.db2.gz KGTNSJOFEIXEQX-RYUDHWBXSA-N 2 0 347.381 3.019 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000415024640 309114922 /nfs/dbraw/zinc/11/49/22/309114922.db2.gz PHAHNQHEEZEWBI-NSHDSACASA-N 2 0 337.265 3.056 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccccc1 ZINC000415060464 309117556 /nfs/dbraw/zinc/11/75/56/309117556.db2.gz WVPULDCVEOKUIE-INIZCTEOSA-N 2 0 334.261 3.414 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC(F)F ZINC000415057072 309117047 /nfs/dbraw/zinc/11/70/47/309117047.db2.gz TVDUWULUPLJHRJ-HUUCEWRRSA-N 2 0 340.414 3.261 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057064 309117118 /nfs/dbraw/zinc/11/71/18/309117118.db2.gz TTZHQLOCMMUJHA-GIVPXCGWSA-N 2 0 344.499 3.208 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@H](C)C[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066771 309117838 /nfs/dbraw/zinc/11/78/38/309117838.db2.gz AXGQDOMOMXYWSC-QZTJIDSGSA-N 2 0 330.520 3.079 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1OCC[NH+](C)C ZINC000415075130 309118453 /nfs/dbraw/zinc/11/84/53/309118453.db2.gz BBWGAPOYQRKWQR-PKOBYXMFSA-N 2 0 333.520 3.027 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415077070 309118678 /nfs/dbraw/zinc/11/86/78/309118678.db2.gz DQLDZTWKPRSXER-CVEARBPZSA-N 2 0 341.455 3.360 20 0 EGADRP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000415081973 309118990 /nfs/dbraw/zinc/11/89/90/309118990.db2.gz LMOKQIAIIWPEPF-FVQBIDKESA-N 2 0 336.863 3.122 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000415083381 309119032 /nfs/dbraw/zinc/11/90/32/309119032.db2.gz NGFHIRSSNQEMGR-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]CC2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC000415082562 309119093 /nfs/dbraw/zinc/11/90/93/309119093.db2.gz LYPGGRXIKGZPAO-KGLIPLIRSA-N 2 0 337.305 3.458 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]CCCc2nc(-c3ccncc3)cs2)CC[NH2+]1 ZINC000415085116 309119253 /nfs/dbraw/zinc/11/92/53/309119253.db2.gz QHFYNDPVCRUQHX-HUUCEWRRSA-N 2 0 330.501 3.115 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000415096635 309120020 /nfs/dbraw/zinc/12/00/20/309120020.db2.gz BVFFZEHPVSRNPX-PBHICJAKSA-N 2 0 337.458 3.049 20 0 EGADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000415096638 309120053 /nfs/dbraw/zinc/12/00/53/309120053.db2.gz BVFFZEHPVSRNPX-YOEHRIQHSA-N 2 0 337.458 3.049 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000415106034 309120706 /nfs/dbraw/zinc/12/07/06/309120706.db2.gz JBWIEKCSLXPBBN-RBUKOAKNSA-N 2 0 334.529 3.138 20 0 EGADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415123409 309121880 /nfs/dbraw/zinc/12/18/80/309121880.db2.gz JLALHMGETGJZDK-SJLPKXTDSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000415121959 309121903 /nfs/dbraw/zinc/12/19/03/309121903.db2.gz IXYKWGJOCRWGFK-YOEHRIQHSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000415126840 309122303 /nfs/dbraw/zinc/12/23/03/309122303.db2.gz MLOGIUKKJCJGGX-APWZRJJASA-N 2 0 325.456 3.077 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415130666 309122627 /nfs/dbraw/zinc/12/26/27/309122627.db2.gz RGHVWPYYBXJCBX-LEWJYISDSA-N 2 0 346.515 3.440 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000415925647 309149120 /nfs/dbraw/zinc/14/91/20/309149120.db2.gz BHOWCTKTKOSXNE-KXBFYZLASA-N 2 0 340.471 3.219 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972758 309152181 /nfs/dbraw/zinc/15/21/81/309152181.db2.gz IUBFBTCRSMSKJN-WMZOPIPTSA-N 2 0 332.492 3.167 20 0 EGADRP C[C@@H](CCCC[NH3+])NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417693063 309218369 /nfs/dbraw/zinc/21/83/69/309218369.db2.gz PUUNRWUIQDZKFI-IRXDYDNUSA-N 2 0 346.519 3.029 20 0 EGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000417698164 309218565 /nfs/dbraw/zinc/21/85/65/309218565.db2.gz FTWXCVMQNMWNEU-SJLPKXTDSA-N 2 0 348.535 3.131 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)C ZINC000418101127 309235486 /nfs/dbraw/zinc/23/54/86/309235486.db2.gz PHYPAKPRCOEQTD-HXUWFJFHSA-N 2 0 347.547 3.368 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419337870 309264873 /nfs/dbraw/zinc/26/48/73/309264873.db2.gz YMYHHMDNTZWRAJ-ROUUACIJSA-N 2 0 337.552 3.122 20 0 EGADRP [NH3+]CC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000420275989 309279133 /nfs/dbraw/zinc/27/91/33/309279133.db2.gz QQQGZWCTWQTTAH-IBGZPJMESA-N 2 0 341.430 3.176 20 0 EGADRP Cn1nc(CCC[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC000420300985 309280536 /nfs/dbraw/zinc/28/05/36/309280536.db2.gz IGAYHYXUPHLGGR-MRXNPFEDSA-N 2 0 344.478 3.090 20 0 EGADRP c1csc(C[N@@H+](CC[C@@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420303294 309280602 /nfs/dbraw/zinc/28/06/02/309280602.db2.gz CRBGSKMKLDAISR-JKSUJKDBSA-N 2 0 335.517 3.046 20 0 EGADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420306856 309280828 /nfs/dbraw/zinc/28/08/28/309280828.db2.gz BCIXKCRSFMLIFW-KDOFPFPSSA-N 2 0 330.863 3.151 20 0 EGADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420310510 309280929 /nfs/dbraw/zinc/28/09/29/309280929.db2.gz VCPVJVVURMVBLP-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)OC(=O)CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420309564 309281023 /nfs/dbraw/zinc/28/10/23/309281023.db2.gz LQMNBRQEBSPOCM-INIZCTEOSA-N 2 0 336.501 3.034 20 0 EGADRP CC[NH+](CC)CCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321261 309282030 /nfs/dbraw/zinc/28/20/30/309282030.db2.gz ZUUQIBCGYQJPKX-SFHVURJKSA-N 2 0 335.561 3.424 20 0 EGADRP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322744 309282156 /nfs/dbraw/zinc/28/21/56/309282156.db2.gz FFJMLFAKJOLBFN-JKSUJKDBSA-N 2 0 342.512 3.130 20 0 EGADRP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330555 309282637 /nfs/dbraw/zinc/28/26/37/309282637.db2.gz AUSRNHVGWBZSGS-MSOLQXFVSA-N 2 0 325.456 3.472 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333072 309282891 /nfs/dbraw/zinc/28/28/91/309282891.db2.gz DZRJPABEGAOJSZ-SUMWQHHRSA-N 2 0 335.879 3.131 20 0 EGADRP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420337776 309282950 /nfs/dbraw/zinc/28/29/50/309282950.db2.gz XAUSOSMDAQGROE-HOTGVXAUSA-N 2 0 344.890 3.347 20 0 EGADRP Fc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420338395 309283171 /nfs/dbraw/zinc/28/31/71/309283171.db2.gz XXRIUGMJGIHDMY-HOTGVXAUSA-N 2 0 329.419 3.302 20 0 EGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339451 309283310 /nfs/dbraw/zinc/28/33/10/309283310.db2.gz YZNSPUWZGGBLEZ-BBRMVZONSA-N 2 0 342.405 3.454 20 0 EGADRP FC(F)(F)c1ccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000420359818 309284086 /nfs/dbraw/zinc/28/40/86/309284086.db2.gz KVTKRLSZGMBOGO-UHFFFAOYSA-N 2 0 341.421 3.217 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000420392465 309286134 /nfs/dbraw/zinc/28/61/34/309286134.db2.gz PPGYZJARPWMDGP-TZIWHRDSSA-N 2 0 346.515 3.291 20 0 EGADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000420397367 309286313 /nfs/dbraw/zinc/28/63/13/309286313.db2.gz FZSOBAATQZGLIL-WBVHZDCISA-N 2 0 325.456 3.085 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000420975327 309305228 /nfs/dbraw/zinc/30/52/28/309305228.db2.gz FQIINDFGGDEKGC-NRFANRHFSA-N 2 0 345.506 3.305 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000420986761 309306054 /nfs/dbraw/zinc/30/60/54/309306054.db2.gz YUZRNYNIVWGMBU-KRWDZBQOSA-N 2 0 343.506 3.304 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000421821103 309341431 /nfs/dbraw/zinc/34/14/31/309341431.db2.gz PMENTDKPEHPDLD-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3cccnc3CC2)cc1 ZINC000421821592 309341533 /nfs/dbraw/zinc/34/15/33/309341533.db2.gz SFZIQNUSWOXUHH-IBGZPJMESA-N 2 0 339.483 3.059 20 0 EGADRP C[NH+](C)C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000422004850 309350612 /nfs/dbraw/zinc/35/06/12/309350612.db2.gz HKHJGRRJTBAWIB-SOAGJPPSSA-N 2 0 343.515 3.030 20 0 EGADRP CCOc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1OC(F)F ZINC000422698037 309363462 /nfs/dbraw/zinc/36/34/62/309363462.db2.gz XHUINRYMFUKEOV-UHFFFAOYSA-N 2 0 328.403 3.294 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422699390 309363548 /nfs/dbraw/zinc/36/35/48/309363548.db2.gz DFSLMEXJFMSZJX-HUUCEWRRSA-N 2 0 329.257 3.380 20 0 EGADRP Clc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422698729 309363699 /nfs/dbraw/zinc/36/36/99/309363699.db2.gz ATDLEFNJNDINFC-KZNAEPCWSA-N 2 0 334.891 3.118 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422708890 309364014 /nfs/dbraw/zinc/36/40/14/309364014.db2.gz CHTJLPUCOSBJQC-QHAWAJNXSA-N 3 0 345.531 3.027 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC1CCCC1 ZINC000422717779 309364726 /nfs/dbraw/zinc/36/47/26/309364726.db2.gz WENUFTQFJMXGMF-CRAIPNDOSA-N 2 0 332.488 3.494 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422717323 309364742 /nfs/dbraw/zinc/36/47/42/309364742.db2.gz VKLUMQINAFSLIG-YTQUADARSA-N 2 0 344.499 3.234 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422726605 309365393 /nfs/dbraw/zinc/36/53/93/309365393.db2.gz FMYOODYQCAMENG-ZNMIVQPWSA-N 2 0 326.444 3.110 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422733993 309365674 /nfs/dbraw/zinc/36/56/74/309365674.db2.gz BVNZQUMBFGKUSY-UYAOXDASSA-N 3 0 347.547 3.070 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000422735745 309365942 /nfs/dbraw/zinc/36/59/42/309365942.db2.gz VCHSDVATPBFZPH-OKZBNKHCSA-N 2 0 332.488 3.494 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000422737714 309366148 /nfs/dbraw/zinc/36/61/48/309366148.db2.gz XTJVNWVZDYPHSL-MTQWCTHYSA-N 2 0 333.495 3.329 20 0 EGADRP C[C@@H]([NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C)C1C[NH2+]C1 ZINC000422743449 309366351 /nfs/dbraw/zinc/36/63/51/309366351.db2.gz RIOOJYOYVJLJAY-FCHSOHFDSA-N 2 0 341.318 3.430 20 0 EGADRP Fc1ccccc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422753349 309366659 /nfs/dbraw/zinc/36/66/59/309366659.db2.gz CEAXCOMHCOGJGM-AZUAARDMSA-N 2 0 326.415 3.214 20 0 EGADRP C[C@H]([NH2+]C1(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422765914 309367115 /nfs/dbraw/zinc/36/71/15/309367115.db2.gz PVGUMCCIJYNOQZ-CMKODMSKSA-N 2 0 345.531 3.007 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422768471 309367310 /nfs/dbraw/zinc/36/73/10/309367310.db2.gz UPRIPYFJJGETLV-SLFFLAALSA-N 2 0 346.490 3.384 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000422769552 309367326 /nfs/dbraw/zinc/36/73/26/309367326.db2.gz VGDRTQSAVUVCNE-GDAAHCPNSA-N 2 0 335.923 3.453 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(OCC)c2)CC[NH2+]CC1 ZINC000422777894 309367841 /nfs/dbraw/zinc/36/78/41/309367841.db2.gz GPSKIMZRFPOEFC-CVEARBPZSA-N 2 0 348.487 3.057 20 0 EGADRP c1ccc(OCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422787050 309368213 /nfs/dbraw/zinc/36/82/13/309368213.db2.gz LPKUWICBIWZBBV-TZIWHRDSSA-N 2 0 338.451 3.301 20 0 EGADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(Br)c1 ZINC000422788525 309368306 /nfs/dbraw/zinc/36/83/06/309368306.db2.gz AWCYTSSYHQHVIY-SQPSOYEMSA-N 2 0 339.277 3.089 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC000422793588 309368659 /nfs/dbraw/zinc/36/86/59/309368659.db2.gz FVSJCWPKNBXKMK-CHWSQXEVSA-N 2 0 329.282 3.324 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Oc1ccc(Br)cc1 ZINC000422794088 309368744 /nfs/dbraw/zinc/36/87/44/309368744.db2.gz GHWYVSCFSZTCPJ-DVOMOZLQSA-N 2 0 341.293 3.324 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422799013 309369015 /nfs/dbraw/zinc/36/90/15/309369015.db2.gz URFPTUQAAIDFNA-QUCCMNQESA-N 2 0 326.415 3.480 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422814096 309370036 /nfs/dbraw/zinc/37/00/36/309370036.db2.gz ZMVFTOGCQANODJ-PGRDOPGGSA-N 2 0 337.511 3.331 20 0 EGADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422819393 309370241 /nfs/dbraw/zinc/37/02/41/309370241.db2.gz NASCZPKOQOMXHD-QHAWAJNXSA-N 2 0 338.499 3.315 20 0 EGADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422821378 309370386 /nfs/dbraw/zinc/37/03/86/309370386.db2.gz VWBWPTUTSNJWNP-HSALFYBXSA-N 2 0 333.495 3.158 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422824764 309370415 /nfs/dbraw/zinc/37/04/15/309370415.db2.gz OIAJOMMTHIDRDV-XJKSGUPXSA-N 2 0 330.394 3.243 20 0 EGADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)cn1 ZINC000422826114 309370535 /nfs/dbraw/zinc/37/05/35/309370535.db2.gz KVTQSPMSKBWKBZ-PWRODBHTSA-N 2 0 338.499 3.332 20 0 EGADRP c1ccc([C@@H]2C[C@H](NC3CC[NH+](C4CCCC4)CC3)CC[NH2+]2)cc1 ZINC000422838543 309371128 /nfs/dbraw/zinc/37/11/28/309371128.db2.gz OSHPXQSIDIUBKS-CTNGQTDRSA-N 2 0 327.516 3.476 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1Br ZINC000422839193 309371339 /nfs/dbraw/zinc/37/13/39/309371339.db2.gz PUPOUSLFIPSDCC-GZBFAFLISA-N 2 0 341.293 3.194 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000422839263 309371354 /nfs/dbraw/zinc/37/13/54/309371354.db2.gz ZODVLLIOGPQYGX-PXNSSMCTSA-N 2 0 338.499 3.164 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422844362 309371687 /nfs/dbraw/zinc/37/16/87/309371687.db2.gz LNXUWJLGJQEXPP-ZIAGYGMSSA-N 2 0 329.419 3.293 20 0 EGADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422843892 309371737 /nfs/dbraw/zinc/37/17/37/309371737.db2.gz KAFDZUXELFJXDW-FGTMMUONSA-N 2 0 332.488 3.494 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422852518 309372044 /nfs/dbraw/zinc/37/20/44/309372044.db2.gz XWLYFBRTQFLMEM-VQIMIIECSA-N 2 0 341.430 3.295 20 0 EGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422852368 309372088 /nfs/dbraw/zinc/37/20/88/309372088.db2.gz QNOZEWNLXPFDEF-YDZRNGNQSA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@@H]([NH2+]CCc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422862310 309372508 /nfs/dbraw/zinc/37/25/08/309372508.db2.gz NLZAMMMRDZYPKA-UXHICEINSA-N 2 0 326.488 3.152 20 0 EGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422882761 309373912 /nfs/dbraw/zinc/37/39/12/309373912.db2.gz TWNSFOGRJDYGNN-DFNIBXOVSA-N 3 0 347.934 3.425 20 0 EGADRP CCOc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000422885404 309374117 /nfs/dbraw/zinc/37/41/17/309374117.db2.gz YMWTZFXSJUOWFX-DFNIBXOVSA-N 2 0 344.499 3.006 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000422898121 309374949 /nfs/dbraw/zinc/37/49/49/309374949.db2.gz LFKDDBMLMFCUHZ-MJGOQNOKSA-N 3 0 333.520 3.027 20 0 EGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422899759 309374991 /nfs/dbraw/zinc/37/49/91/309374991.db2.gz IFIZZLXQXOPMHO-ZIAGYGMSSA-N 2 0 340.895 3.112 20 0 EGADRP COc1ccc(OCCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422898500 309375079 /nfs/dbraw/zinc/37/50/79/309375079.db2.gz MGJFSLZJQFKOIJ-OXJNMPFZSA-N 2 0 328.456 3.012 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000422910522 309375720 /nfs/dbraw/zinc/37/57/20/309375720.db2.gz QXRJPZSDOWNHMD-HOTGVXAUSA-N 2 0 326.488 3.020 20 0 EGADRP c1nc2ccccc2n1Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422946166 309377453 /nfs/dbraw/zinc/37/74/53/309377453.db2.gz WALZZOCSCAOBMN-YOFSQIOKSA-N 2 0 346.478 3.457 20 0 EGADRP c1cc(OC2CCCC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422949845 309377673 /nfs/dbraw/zinc/37/76/73/309377673.db2.gz WUHMCSSTBRIWTG-NJDAHSKKSA-N 2 0 344.499 3.255 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422954849 309377815 /nfs/dbraw/zinc/37/78/15/309377815.db2.gz IFWUOVOYFAUIDV-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(Cc3ccccc3)CCC2)CC[NH2+]CC1 ZINC000422960692 309378311 /nfs/dbraw/zinc/37/83/11/309378311.db2.gz XGZKCSHWBNCHOC-QGZVFWFLSA-N 2 0 344.499 3.063 20 0 EGADRP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422973772 309379236 /nfs/dbraw/zinc/37/92/36/309379236.db2.gz PLYSRYLWDAWNHB-GBESFXJTSA-N 2 0 329.488 3.271 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1Br ZINC000422993332 309380032 /nfs/dbraw/zinc/38/00/32/309380032.db2.gz FMMKMKXIKGREQG-IUODEOHRSA-N 2 0 325.294 3.444 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423029255 309381750 /nfs/dbraw/zinc/38/17/50/309381750.db2.gz HWJIBKJHOSMDMZ-VQIMIIECSA-N 2 0 326.488 3.488 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423027026 309381772 /nfs/dbraw/zinc/38/17/72/309381772.db2.gz CROAVEQZYUJPFO-RYUDHWBXSA-N 2 0 329.282 3.106 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423037813 309382398 /nfs/dbraw/zinc/38/23/98/309382398.db2.gz CAJCPWFJEJPHST-PBFPGSCMSA-N 2 0 325.859 3.036 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423040607 309382438 /nfs/dbraw/zinc/38/24/38/309382438.db2.gz HPTHKBSCQWYVAP-MKBNYLNASA-N 2 0 328.287 3.289 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000423055284 309383438 /nfs/dbraw/zinc/38/34/38/309383438.db2.gz WCMZGWLQAVAYQL-XFIJJGBISA-N 2 0 344.499 3.424 20 0 EGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423058372 309383470 /nfs/dbraw/zinc/38/34/70/309383470.db2.gz BYKMOMMNKRDWKZ-YLFCFFPRSA-N 2 0 342.405 3.079 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423064153 309383995 /nfs/dbraw/zinc/38/39/95/309383995.db2.gz QQKCWSYZNXIHKE-IJEWVQPXSA-N 2 0 341.421 3.262 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068097 309384093 /nfs/dbraw/zinc/38/40/93/309384093.db2.gz AWLYRECAKZNMBV-KGLIPLIRSA-N 2 0 331.382 3.119 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423068480 309384390 /nfs/dbraw/zinc/38/43/90/309384390.db2.gz JZODNJQENOBJCZ-BXUZGUMPSA-N 2 0 344.286 3.206 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423075636 309384607 /nfs/dbraw/zinc/38/46/07/309384607.db2.gz PAKJMVKVCBZNRP-FFGOWVMKSA-N 2 0 334.479 3.007 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423086602 309385158 /nfs/dbraw/zinc/38/51/58/309385158.db2.gz NOMRPAPVTROACU-INIZCTEOSA-N 2 0 326.488 3.229 20 0 EGADRP COC1CCC(C)(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423090091 309385373 /nfs/dbraw/zinc/38/53/73/309385373.db2.gz WUEUUNDYWDPKQT-RMAKDWBASA-N 2 0 344.499 3.427 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093866 309385576 /nfs/dbraw/zinc/38/55/76/309385576.db2.gz IUEHOKMUMVVNAK-BBRMVZONSA-N 2 0 330.394 3.148 20 0 EGADRP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423130091 309387452 /nfs/dbraw/zinc/38/74/52/309387452.db2.gz YCRGMORFYLTPHZ-KLHJMIIUSA-N 2 0 336.435 3.008 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)c2ccccc21 ZINC000423136076 309387783 /nfs/dbraw/zinc/38/77/83/309387783.db2.gz GPKLXJVKQPJILV-NIKGAXFTSA-N 2 0 325.431 3.386 20 0 EGADRP FC(F)(F)C1CC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423136394 309387816 /nfs/dbraw/zinc/38/78/16/309387816.db2.gz YWVNKAQWXCXQFI-DIKHOTLESA-N 2 0 326.362 3.173 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C3CC3)ccc2F)CC[NH2+]CC1 ZINC000423145587 309388071 /nfs/dbraw/zinc/38/80/71/309388071.db2.gz LMFLQQCLOJHRIM-CQSZACIVSA-N 2 0 348.462 3.114 20 0 EGADRP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423146659 309388401 /nfs/dbraw/zinc/38/84/01/309388401.db2.gz PWTGKYHKWJMEMD-FRFIEDCNSA-N 2 0 334.891 3.333 20 0 EGADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423164432 309388889 /nfs/dbraw/zinc/38/88/89/309388889.db2.gz OPLZENMRQZMGLM-LFGUQSLTSA-N 2 0 330.472 3.180 20 0 EGADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CCO2)nc1 ZINC000423161379 309388911 /nfs/dbraw/zinc/38/89/11/309388911.db2.gz NQGJKRKRCIKIJZ-HGJKNBTDSA-N 2 0 329.488 3.202 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCC2)c2ccccc21 ZINC000423177212 309389269 /nfs/dbraw/zinc/38/92/69/309389269.db2.gz IJWPNVFCQCIRLS-QZTJIDSGSA-N 2 0 330.472 3.419 20 0 EGADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179506 309389312 /nfs/dbraw/zinc/38/93/12/309389312.db2.gz MIEBYRWKHYCAQC-LJQANCHMSA-N 2 0 343.540 3.225 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000423177543 309389422 /nfs/dbraw/zinc/38/94/22/309389422.db2.gz FDDYLONAVRNTNL-KRWDZBQOSA-N 2 0 327.875 3.061 20 0 EGADRP CCC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423184544 309389544 /nfs/dbraw/zinc/38/95/44/309389544.db2.gz UGZHAAXXVNWILE-KRWDZBQOSA-N 2 0 343.437 3.432 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423211911 309390709 /nfs/dbraw/zinc/39/07/09/309390709.db2.gz HUPNPHPDTQKENT-ODIFPOPNSA-N 2 0 332.492 3.481 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423212078 309390716 /nfs/dbraw/zinc/39/07/16/309390716.db2.gz ZPXJOFLECTZRRQ-MRXNPFEDSA-N 2 0 343.446 3.174 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423221160 309391125 /nfs/dbraw/zinc/39/11/25/309391125.db2.gz WLHWNVQBSYBHKG-LZLYRXPVSA-N 2 0 342.487 3.038 20 0 EGADRP COC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423260287 309392773 /nfs/dbraw/zinc/39/27/73/309392773.db2.gz PWCCVVZVYGJFPQ-CJNGLKHVSA-N 2 0 330.394 3.372 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423265639 309392927 /nfs/dbraw/zinc/39/29/27/309392927.db2.gz CNRBEMJGWQSLPE-GXFFZTMASA-N 2 0 329.307 3.431 20 0 EGADRP C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268945 309393300 /nfs/dbraw/zinc/39/33/00/309393300.db2.gz VJIYXHSRTZZNCU-JXFKEZNVSA-N 2 0 333.520 3.185 20 0 EGADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423284083 309394019 /nfs/dbraw/zinc/39/40/19/309394019.db2.gz XPVKZYHOBSPNPJ-UWHLTILDSA-N 3 0 329.532 3.250 20 0 EGADRP C[C@H](C[NH3+])C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423307075 309394661 /nfs/dbraw/zinc/39/46/61/309394661.db2.gz MJFAQFZTXZIJHT-BFVZDQMLSA-N 2 0 329.307 3.416 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000423307659 309394672 /nfs/dbraw/zinc/39/46/72/309394672.db2.gz NNLVHOWOCITCAS-FOIQADDNSA-N 2 0 339.483 3.301 20 0 EGADRP CC1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC[NH2+]CC1 ZINC000423331006 309395469 /nfs/dbraw/zinc/39/54/69/309395469.db2.gz OBILQXQBEUPMGP-MRXNPFEDSA-N 2 0 337.305 3.286 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423337187 309395935 /nfs/dbraw/zinc/39/59/35/309395935.db2.gz TXROGOIIYBWUBQ-LBPRGKRZSA-N 2 0 343.284 3.499 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423344174 309396199 /nfs/dbraw/zinc/39/61/99/309396199.db2.gz NYOADPSOKDRCBD-SFTDATJTSA-N 2 0 339.483 3.353 20 0 EGADRP CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423341427 309396246 /nfs/dbraw/zinc/39/62/46/309396246.db2.gz UKYWIZVTMMJCLE-IBGZPJMESA-N 2 0 343.515 3.236 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000423360261 309396938 /nfs/dbraw/zinc/39/69/38/309396938.db2.gz QGBWECNNZDUXKR-QZTJIDSGSA-N 2 0 343.515 3.290 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000423377069 309397773 /nfs/dbraw/zinc/39/77/73/309397773.db2.gz VRFCAVOXKNBRGB-XNTOXWQXSA-N 3 0 327.516 3.289 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423377979 309397784 /nfs/dbraw/zinc/39/77/84/309397784.db2.gz BYOIXYLEEZXLKZ-OAHLLOKOSA-N 2 0 340.920 3.483 20 0 EGADRP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423382441 309397925 /nfs/dbraw/zinc/39/79/25/309397925.db2.gz IOBFXEKNHLOLKG-MLGOLLRUSA-N 2 0 325.294 3.358 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423393746 309398449 /nfs/dbraw/zinc/39/84/49/309398449.db2.gz QZIIERVSJVYIKH-QILLFSRXSA-N 2 0 332.492 3.481 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]([NH3+])C1CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000423399968 309398563 /nfs/dbraw/zinc/39/85/63/309398563.db2.gz FHUNGGMZIQNIDX-CRAIPNDOSA-N 2 0 331.504 3.140 20 0 EGADRP CCC(CC)(CNC(=O)CC1(C[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000423407208 309398931 /nfs/dbraw/zinc/39/89/31/309398931.db2.gz LZHVUBZWYMWQQH-INIZCTEOSA-N 2 0 331.504 3.141 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000423426960 309399895 /nfs/dbraw/zinc/39/98/95/309399895.db2.gz PYXJKMRKOABPFY-ULQDDVLXSA-N 2 0 334.504 3.298 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423428468 309400127 /nfs/dbraw/zinc/40/01/27/309400127.db2.gz RIFUACYGDRNUJB-JYJNAYRXSA-N 2 0 344.503 3.386 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1I ZINC000423453827 309400959 /nfs/dbraw/zinc/40/09/59/309400959.db2.gz KWYJSIYHYOJKKD-WDEREUQCSA-N 2 0 332.229 3.069 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423455881 309401030 /nfs/dbraw/zinc/40/10/30/309401030.db2.gz FVKYCTWARRGBKM-UKJCELEMSA-N 2 0 332.463 3.399 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423546540 309405999 /nfs/dbraw/zinc/40/59/99/309405999.db2.gz ZBSDEJXBHRHODF-OAHLLOKOSA-N 2 0 332.444 3.042 20 0 EGADRP [NH3+][C@H](CCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)CC1CCCCC1 ZINC000424163395 309431570 /nfs/dbraw/zinc/43/15/70/309431570.db2.gz DRKVUOPVTJNJAS-QUCCMNQESA-N 2 0 343.515 3.068 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000430592338 309612235 /nfs/dbraw/zinc/61/22/35/309612235.db2.gz QHEIOICYKJEOJZ-DLBZAZTESA-N 2 0 345.531 3.136 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000430965436 309622416 /nfs/dbraw/zinc/62/24/16/309622416.db2.gz JKVRCYOLGGLZAR-KRWDZBQOSA-N 2 0 343.515 3.412 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432230221 309655321 /nfs/dbraw/zinc/65/53/21/309655321.db2.gz ZELXLBJMIHLOFQ-UHFFFAOYSA-N 2 0 336.332 3.171 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000433162935 309680340 /nfs/dbraw/zinc/68/03/40/309680340.db2.gz NTQLOIIAGVUCFP-UHFFFAOYSA-N 2 0 343.515 3.032 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H](C[NH3+])C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000433171859 309680455 /nfs/dbraw/zinc/68/04/55/309680455.db2.gz FNOJMJITYQRLGV-AEFFLSMTSA-N 2 0 333.520 3.243 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(SC)CCC2)CC1 ZINC000433201207 309682078 /nfs/dbraw/zinc/68/20/78/309682078.db2.gz VKRVDRNGYWBGST-UHFFFAOYSA-N 2 0 333.545 3.204 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000438562503 309817388 /nfs/dbraw/zinc/81/73/88/309817388.db2.gz PSECRYYVSDRBNA-GOSISDBHSA-N 2 0 331.504 3.012 20 0 EGADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000449070543 310034639 /nfs/dbraw/zinc/03/46/39/310034639.db2.gz KLQINXYFZDLMIF-UHFFFAOYSA-N 2 0 341.503 3.128 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000449148242 310040347 /nfs/dbraw/zinc/04/03/47/310040347.db2.gz JHMPKWFAQJACPA-AEFFLSMTSA-N 2 0 330.472 3.190 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449222989 310045723 /nfs/dbraw/zinc/04/57/23/310045723.db2.gz NIJGSDZOOGSKEY-TZMCWYRMSA-N 2 0 330.394 3.038 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449236721 310046807 /nfs/dbraw/zinc/04/68/07/310046807.db2.gz ZDLPPAZJRSZJPF-HXUWFJFHSA-N 2 0 336.435 3.289 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449501021 310067210 /nfs/dbraw/zinc/06/72/10/310067210.db2.gz DYXPXAVDTUFXOU-HUJKARHJSA-N 2 0 334.548 3.416 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)c2c1 ZINC000450259106 310111502 /nfs/dbraw/zinc/11/15/02/310111502.db2.gz DLCUXAGELDEVOQ-MRXNPFEDSA-N 2 0 339.483 3.487 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450472781 310124598 /nfs/dbraw/zinc/12/45/98/310124598.db2.gz GCNGPIYLOXQCAI-GASCZTMLSA-N 2 0 330.463 3.243 20 0 EGADRP CCc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC000450514895 310127540 /nfs/dbraw/zinc/12/75/40/310127540.db2.gz FZZBRULPGJSHID-UHFFFAOYSA-N 2 0 325.456 3.151 20 0 EGADRP CC(C)C[C@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000450612142 310132944 /nfs/dbraw/zinc/13/29/44/310132944.db2.gz JARZSRLVDFETKF-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CCN1C1CC[NH+](C)CC1 ZINC000450653406 310135297 /nfs/dbraw/zinc/13/52/97/310135297.db2.gz OUVFSJZHJUIJIM-WEWRAIFCSA-N 2 0 345.575 3.303 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NCC[NH+]3CCCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453074405 310256225 /nfs/dbraw/zinc/25/62/25/310256225.db2.gz GHJMKKPMCFWYSI-HKBOAZHASA-N 2 0 327.516 3.115 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000453083041 310256749 /nfs/dbraw/zinc/25/67/49/310256749.db2.gz LCVATWCIEQYZSE-SFHVURJKSA-N 2 0 346.515 3.346 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)CC1 ZINC000453103678 310258202 /nfs/dbraw/zinc/25/82/02/310258202.db2.gz RWRHQHZYNKGRKI-NRFANRHFSA-N 2 0 328.500 3.312 20 0 EGADRP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cnn1C ZINC000453172670 310262397 /nfs/dbraw/zinc/26/23/97/310262397.db2.gz IKTKQFVIUANXEM-HBMCJLEFSA-N 2 0 338.499 3.261 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453200044 310263672 /nfs/dbraw/zinc/26/36/72/310263672.db2.gz UMLVSXFXZHISQE-NHCUHLMSSA-N 2 0 328.500 3.312 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453225467 310265168 /nfs/dbraw/zinc/26/51/68/310265168.db2.gz MTJSQXRSLBXUOZ-NJYVYQBISA-N 2 0 326.484 3.366 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453228914 310265452 /nfs/dbraw/zinc/26/54/52/310265452.db2.gz ZRLITXXZDHOGAQ-DPVAKWRKSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000453256700 310267208 /nfs/dbraw/zinc/26/72/08/310267208.db2.gz QZBHMJVTKGHNIC-QUCCMNQESA-N 2 0 338.499 3.300 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000453354603 310272735 /nfs/dbraw/zinc/27/27/35/310272735.db2.gz KAHSWSPMSDVSIP-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000453370884 310273390 /nfs/dbraw/zinc/27/33/90/310273390.db2.gz REYLGRHUAUGMGK-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000453391496 310274403 /nfs/dbraw/zinc/27/44/03/310274403.db2.gz DOGIBEKMYQRUCG-KSEOMHKRSA-N 3 0 341.543 3.361 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1C ZINC000453393822 310274743 /nfs/dbraw/zinc/27/47/43/310274743.db2.gz GLVJEDCUZBPJHN-MRXNPFEDSA-N 2 0 331.504 3.485 20 0 EGADRP CSc1cc2c(cc1C[NH2+]CCCC[N@H+](C)C1CC1)OCCO2 ZINC000453595018 310283608 /nfs/dbraw/zinc/28/36/08/310283608.db2.gz JQWZRXCRFYTTCZ-UHFFFAOYSA-N 2 0 336.501 3.144 20 0 EGADRP CCN1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000455637348 310370684 /nfs/dbraw/zinc/37/06/84/310370684.db2.gz JFWUMIBIGOGQIF-QZTJIDSGSA-N 2 0 339.886 3.204 20 0 EGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455843964 310379212 /nfs/dbraw/zinc/37/92/12/310379212.db2.gz GUVFTHYDCNJTMI-IEBWSBKVSA-N 2 0 344.503 3.184 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455855660 310379790 /nfs/dbraw/zinc/37/97/90/310379790.db2.gz NOBYQAIMNVMIEP-KXBFYZLASA-N 2 0 344.503 3.184 20 0 EGADRP c1cc(N2CCC([NH2+]C3CC[NH+](CC4CCCC4)CC3)CC2)cc[nH+]1 ZINC000459383248 310548740 /nfs/dbraw/zinc/54/87/40/310548740.db2.gz AUFYDCJGBHYPRF-UHFFFAOYSA-N 3 0 342.531 3.295 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CC3CCC(F)(F)CC3)CC2)CC1 ZINC000459403625 310550255 /nfs/dbraw/zinc/55/02/55/310550255.db2.gz PKABUYBRNLMHQH-UHFFFAOYSA-N 2 0 343.506 3.161 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000459445564 310553399 /nfs/dbraw/zinc/55/33/99/310553399.db2.gz DJUWMDRFLGRAMB-OYLFLEFRSA-N 2 0 343.496 3.139 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000469309691 310702883 /nfs/dbraw/zinc/70/28/83/310702883.db2.gz OQNJYPDTPIPCOL-PMACEKPBSA-N 2 0 345.531 3.369 20 0 EGADRP CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000483858886 310959126 /nfs/dbraw/zinc/95/91/26/310959126.db2.gz LBEDNWZGGHGCGO-ZAAXVRCTSA-N 2 0 334.504 3.481 20 0 EGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487190832 311014625 /nfs/dbraw/zinc/01/46/25/311014625.db2.gz BOMNBHRDQVCIOB-DBVUQKKJSA-N 2 0 343.515 3.201 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494483463 311482901 /nfs/dbraw/zinc/48/29/01/311482901.db2.gz DGGJOKTYUUEIAD-CABCVRRESA-N 2 0 327.513 3.141 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495671416 311594233 /nfs/dbraw/zinc/59/42/33/311594233.db2.gz PVWFTGOTUVFJIX-OAHLLOKOSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000496186491 311674915 /nfs/dbraw/zinc/67/49/15/311674915.db2.gz CSDKATWURHEYSH-QQFBHYJXSA-N 2 0 327.513 3.142 20 0 EGADRP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000496219453 311680329 /nfs/dbraw/zinc/68/03/29/311680329.db2.gz RKJMEZYNEKIEMI-ZSYWTGECSA-N 2 0 345.487 3.007 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000497155971 311827418 /nfs/dbraw/zinc/82/74/18/311827418.db2.gz UFVZYTFXRZVVAG-DOTOQJQBSA-N 2 0 331.460 3.044 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000497241150 311842548 /nfs/dbraw/zinc/84/25/48/311842548.db2.gz BKVUDOGUVDSENN-VXLLPVPCSA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000500974509 311936008 /nfs/dbraw/zinc/93/60/08/311936008.db2.gz FQWIAKIMLOGFLT-FQEVSTJZSA-N 2 0 329.488 3.357 20 0 EGADRP C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700772 312100130 /nfs/dbraw/zinc/10/01/30/312100130.db2.gz UZWCGCSTTOIYMZ-PZJWPPBQSA-N 2 0 329.532 3.363 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000510218924 312135878 /nfs/dbraw/zinc/13/58/78/312135878.db2.gz WJFUCPFQQFKFSR-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000510297167 312137572 /nfs/dbraw/zinc/13/75/72/312137572.db2.gz UMQXBOCPHXHBRV-IAGOWNOFSA-N 2 0 339.911 3.226 20 0 EGADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000511633760 312165238 /nfs/dbraw/zinc/16/52/38/312165238.db2.gz HXZNDNHUFDVNKH-INIZCTEOSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000511657000 312166070 /nfs/dbraw/zinc/16/60/70/312166070.db2.gz DOHNSALJUSOPMI-GOSISDBHSA-N 2 0 345.531 3.285 20 0 EGADRP c1cnn(CC[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513677875 312215288 /nfs/dbraw/zinc/21/52/88/312215288.db2.gz DHEWRGHYAUEBGP-ACRUOGEOSA-N 2 0 338.499 3.164 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513884799 312219223 /nfs/dbraw/zinc/21/92/23/312219223.db2.gz FFQVYRWTVCVQOK-KZNAEPCWSA-N 2 0 343.506 3.302 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)C1CC1 ZINC000514875461 312251222 /nfs/dbraw/zinc/25/12/22/312251222.db2.gz QTUFMPIAYHXUKC-GHTZIAJQSA-N 2 0 330.516 3.407 20 0 EGADRP C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc(NC3CC3)ncn2)CC1 ZINC000516646170 312334877 /nfs/dbraw/zinc/33/48/77/312334877.db2.gz BWPBHMGXIYOFKY-CQSZACIVSA-N 2 0 338.459 3.083 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC3([NH3+])CCCCCC3)ccc21 ZINC000519809268 312480576 /nfs/dbraw/zinc/48/05/76/312480576.db2.gz LGKQBTSHUJFMFH-SFHVURJKSA-N 2 0 344.503 3.409 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000527873583 312963014 /nfs/dbraw/zinc/96/30/14/312963014.db2.gz PSQJDEJZMBNRQA-NRSPTQNISA-N 2 0 330.516 3.365 20 0 EGADRP COc1ccc(Br)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000087798466 454089645 /nfs/dbraw/zinc/08/96/45/454089645.db2.gz LEBVLIAXONEDJJ-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC12CC2 ZINC000527876792 312963902 /nfs/dbraw/zinc/96/39/02/312963902.db2.gz MNDTVEVANPXKHD-PXNSSMCTSA-N 2 0 328.500 3.482 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528388922 313081374 /nfs/dbraw/zinc/08/13/74/313081374.db2.gz RSZJIBNHILXKTN-WOJBJXKFSA-N 2 0 334.479 3.334 20 0 EGADRP Cc1ncc(CN2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)n1C ZINC000529643357 313377234 /nfs/dbraw/zinc/37/72/34/313377234.db2.gz ZBCHDSKQABAORM-FQEVSTJZSA-N 2 0 326.488 3.071 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@H]3CCC[NH2+]CC3)CC2)c(OC)c1 ZINC000530210342 313497823 /nfs/dbraw/zinc/49/78/23/313497823.db2.gz JWYCOWMKMJZNHC-INIZCTEOSA-N 2 0 348.487 3.034 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000532442767 313800462 /nfs/dbraw/zinc/80/04/62/313800462.db2.gz PUGVTFVQOABYRV-HNNXBMFYSA-N 2 0 337.467 3.484 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2)[C@H](C)C1 ZINC000536874267 314151067 /nfs/dbraw/zinc/15/10/67/314151067.db2.gz CPNOXOPXBPOLSY-GGPKGHCWSA-N 2 0 334.504 3.181 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536878761 314152206 /nfs/dbraw/zinc/15/22/06/314152206.db2.gz VEHYSUGLQBHSNS-UZLBHIALSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC(=O)Nc3ccccn3)CC2)C1 ZINC000538613738 314258361 /nfs/dbraw/zinc/25/83/61/314258361.db2.gz FXQGIWCCYGXGHT-WMZOPIPTSA-N 2 0 344.503 3.043 20 0 EGADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cc[nH]c3)cc2)C[C@@H]1C ZINC000539223344 314301341 /nfs/dbraw/zinc/30/13/41/314301341.db2.gz CXEJYIGNCUXXEB-ROUUACIJSA-N 2 0 341.499 3.314 20 0 EGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cc[nH]c3)cc2)C[C@H]1C ZINC000539223343 314301409 /nfs/dbraw/zinc/30/14/09/314301409.db2.gz CXEJYIGNCUXXEB-QZTJIDSGSA-N 2 0 341.499 3.314 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000539646390 314326097 /nfs/dbraw/zinc/32/60/97/314326097.db2.gz OBMKZBWJIQAGCM-PKOBYXMFSA-N 2 0 330.520 3.112 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000541583015 314471790 /nfs/dbraw/zinc/47/17/90/314471790.db2.gz PPJAEGIDOBSCGL-IAGOWNOFSA-N 2 0 325.541 3.026 20 0 EGADRP C[C@H](CCCC(F)(F)F)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000547840184 314946202 /nfs/dbraw/zinc/94/62/02/314946202.db2.gz WWZJKVCZSOJULJ-CYBMUJFWSA-N 2 0 330.398 3.366 20 0 EGADRP CCC(CC)[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000548442096 315009950 /nfs/dbraw/zinc/00/99/50/315009950.db2.gz GORIZTOGBDYZGE-IBGZPJMESA-N 2 0 331.504 3.059 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000549139706 315077772 /nfs/dbraw/zinc/07/77/72/315077772.db2.gz BCZBUDVVKCMXFU-LJQANCHMSA-N 2 0 338.536 3.301 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000550680189 315132130 /nfs/dbraw/zinc/13/21/30/315132130.db2.gz IUGISHBQAKNLRS-SFHVURJKSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000551223750 315145671 /nfs/dbraw/zinc/14/56/71/315145671.db2.gz WPXJGWWOQAABNG-CMKODMSKSA-N 2 0 345.531 3.182 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000552973323 315239200 /nfs/dbraw/zinc/23/92/00/315239200.db2.gz RNUVZQSESLXNBG-UHFFFAOYSA-N 2 0 329.488 3.343 20 0 EGADRP COc1ccc2nc(CN3CCC[C@H]4C[N@H+](C)CC[C@@H]43)sc2c1 ZINC000554886446 315354598 /nfs/dbraw/zinc/35/45/98/315354598.db2.gz KUZFECNSXKCKRW-BBRMVZONSA-N 2 0 331.485 3.221 20 0 EGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000562955972 315930163 /nfs/dbraw/zinc/93/01/63/315930163.db2.gz QWRWQXHBIQEBKC-ZDUSSCGKSA-N 2 0 341.883 3.043 20 0 EGADRP C[C@H]1C[C@@H](C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC[NH2+]1 ZINC000563435855 316021845 /nfs/dbraw/zinc/02/18/45/316021845.db2.gz WZZNZOJEAXRWLE-HOTGVXAUSA-N 2 0 339.487 3.039 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000563805992 316072297 /nfs/dbraw/zinc/07/22/97/316072297.db2.gz MYGUIZKJNDUVKB-OAQYLSRUSA-N 2 0 326.484 3.065 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000564822677 316212784 /nfs/dbraw/zinc/21/27/84/316212784.db2.gz KVDDMYKYMGDCBO-CQSZACIVSA-N 2 0 325.294 3.284 20 0 EGADRP CC1CCC(O)(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000564847474 316216668 /nfs/dbraw/zinc/21/66/68/316216668.db2.gz NMTOYDTYNRKZKW-UHFFFAOYSA-N 2 0 336.545 3.491 20 0 EGADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565945385 316392643 /nfs/dbraw/zinc/39/26/43/316392643.db2.gz CFEKIJCRJCOBIN-MSOLQXFVSA-N 2 0 339.487 3.006 20 0 EGADRP OC1(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CCC1 ZINC000570082596 317005131 /nfs/dbraw/zinc/00/51/31/317005131.db2.gz OJUNVNICSYKGTJ-UHFFFAOYSA-N 2 0 330.516 3.226 20 0 EGADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570624659 317083317 /nfs/dbraw/zinc/08/33/17/317083317.db2.gz XIHYPKDNFMQZNI-VOWSPCBNSA-N 2 0 341.455 3.240 20 0 EGADRP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570964270 317133673 /nfs/dbraw/zinc/13/36/73/317133673.db2.gz HFSDHLOPHYFVJM-HUUCEWRRSA-N 2 0 342.405 3.406 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000571175378 317162108 /nfs/dbraw/zinc/16/21/08/317162108.db2.gz GKANBNUHKADKDO-IKGGRYGDSA-N 2 0 344.421 3.244 20 0 EGADRP C[C@@H](C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000571849222 317255585 /nfs/dbraw/zinc/25/55/85/317255585.db2.gz GAUCLCANDDTEPO-KRWDZBQOSA-N 2 0 345.531 3.006 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)C1 ZINC000572617157 317366206 /nfs/dbraw/zinc/36/62/06/317366206.db2.gz TXIASFWFXGSOPP-RBUKOAKNSA-N 2 0 334.467 3.444 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000572635746 317368137 /nfs/dbraw/zinc/36/81/37/317368137.db2.gz FMAFNVVDYZPXNX-SJLPKXTDSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H]1CCC[C@@](CNC(=O)c2ccc(CC[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000572732888 317384385 /nfs/dbraw/zinc/38/43/85/317384385.db2.gz SZHYKSMAPFNFMJ-LAUBAEHRSA-N 2 0 345.531 3.031 20 0 EGADRP Cc1ccccc1OC[C@H](O)C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000573913452 317541416 /nfs/dbraw/zinc/54/14/16/317541416.db2.gz GDXQRGXHDPGFNG-HXUWFJFHSA-N 2 0 348.531 3.082 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(Cl)c2F)C[C@H](C)O1 ZINC000177568187 323341592 /nfs/dbraw/zinc/34/15/92/323341592.db2.gz JAQRVUFNLFIXSH-OKILXGFUSA-N 2 0 328.859 3.458 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177902940 323347845 /nfs/dbraw/zinc/34/78/45/323347845.db2.gz KVNMSQFZPDPWPK-XJKCOSOUSA-N 2 0 330.394 3.403 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000379639880 324240048 /nfs/dbraw/zinc/24/00/48/324240048.db2.gz WDMCPKKLXVVGIM-MRXNPFEDSA-N 2 0 339.524 3.240 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379665086 324240192 /nfs/dbraw/zinc/24/01/92/324240192.db2.gz RHRSWWJRAAAAJZ-AFYVEPGGSA-N 2 0 343.515 3.063 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 ZINC000387492588 324271935 /nfs/dbraw/zinc/27/19/35/324271935.db2.gz ZPAQKLGQTIEOAE-OAHLLOKOSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000394768348 324292100 /nfs/dbraw/zinc/29/21/00/324292100.db2.gz WYYZWEWDTRHHON-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000576389808 324605302 /nfs/dbraw/zinc/60/53/02/324605302.db2.gz DLTHCVNWWYNHJL-OAQYLSRUSA-N 2 0 348.531 3.328 20 0 EGADRP CC(C)CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C ZINC000578672475 325002537 /nfs/dbraw/zinc/00/25/37/325002537.db2.gz HLLKYXDXTSVJNN-DLBZAZTESA-N 2 0 325.541 3.014 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000578738253 325011001 /nfs/dbraw/zinc/01/10/01/325011001.db2.gz AFXYGVDYKOFTKU-CQSZACIVSA-N 2 0 327.241 3.165 20 0 EGADRP Cc1cccc(CC[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)n1 ZINC000578862721 325029604 /nfs/dbraw/zinc/02/96/04/325029604.db2.gz HBSUMVQSQDRTCJ-UHFFFAOYSA-N 2 0 329.410 3.281 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000579344333 325096781 /nfs/dbraw/zinc/09/67/81/325096781.db2.gz YLHRCJIOUDFXCG-UHFFFAOYSA-N 2 0 343.446 3.314 20 0 EGADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000580181541 325214581 /nfs/dbraw/zinc/21/45/81/325214581.db2.gz LXTGVJULUJUXFW-VWPQPMDRSA-N 2 0 349.478 3.492 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000580332163 325236675 /nfs/dbraw/zinc/23/66/75/325236675.db2.gz HCIBYKHVSNICEM-YLJYHZDGSA-N 2 0 343.515 3.190 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc(Br)c1OC ZINC000581548896 325370825 /nfs/dbraw/zinc/37/08/25/325370825.db2.gz ZPVBHQXLZYBEPB-WDEREUQCSA-N 2 0 345.281 3.072 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000582959009 325483825 /nfs/dbraw/zinc/48/38/25/325483825.db2.gz SUSABSDEMSJIGT-CYBMUJFWSA-N 2 0 345.878 3.190 20 0 EGADRP [NH3+]C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000237836097 455224661 /nfs/dbraw/zinc/22/46/61/455224661.db2.gz UHXAMFBTRBKDPZ-FQEVSTJZSA-N 2 0 337.467 3.006 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000430949592 458509039 /nfs/dbraw/zinc/50/90/39/458509039.db2.gz DMZMWWFHEZLBGE-LLVKDONJSA-N 2 0 344.286 3.252 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183138917 455237252 /nfs/dbraw/zinc/23/72/52/455237252.db2.gz ZBOSYAZLIOXJAW-BHIFYINESA-N 3 0 341.543 3.219 20 0 EGADRP CC[C@H](CCO)C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183148184 455238585 /nfs/dbraw/zinc/23/85/85/455238585.db2.gz IFAXQHDGVUWBHR-HZEGPAAWSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000183225880 455254732 /nfs/dbraw/zinc/25/47/32/455254732.db2.gz FWQMDDHJNAUDBL-KNTRFNDTSA-N 2 0 344.499 3.235 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCOCC(F)F ZINC000189950482 455259371 /nfs/dbraw/zinc/25/93/71/455259371.db2.gz RQFMDHHTCIWALJ-GJZGRUSLSA-N 2 0 326.431 3.014 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(CO)cc1 ZINC000189961156 455261324 /nfs/dbraw/zinc/26/13/24/455261324.db2.gz FMSHFACXODWZNW-QZTJIDSGSA-N 2 0 338.495 3.425 20 0 EGADRP Cn1c(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc2cc(F)ccc21 ZINC000181003750 455275791 /nfs/dbraw/zinc/27/57/91/455275791.db2.gz WCJHCNVGXOXBCO-UHFFFAOYSA-N 2 0 332.467 3.107 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](CC)CC2)cc1 ZINC000264810073 455286137 /nfs/dbraw/zinc/28/61/37/455286137.db2.gz VPPJAUYLXFMTTE-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448032 455304198 /nfs/dbraw/zinc/30/41/98/455304198.db2.gz MNSHGMFECYPJQX-ROUUACIJSA-N 2 0 343.515 3.384 20 0 EGADRP CN(c1ccccc1C[NH2+]CC[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000181257976 455308537 /nfs/dbraw/zinc/30/85/37/455308537.db2.gz RAJMKILINZMEGY-HXUWFJFHSA-N 2 0 345.531 3.266 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2coc(-c3cccc(OC)c3)n2)CC1 ZINC000631824097 460572903 /nfs/dbraw/zinc/57/29/03/460572903.db2.gz VZZOJTUKOMCVDP-UHFFFAOYSA-N 2 0 329.444 3.172 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000245571809 455333011 /nfs/dbraw/zinc/33/30/11/455333011.db2.gz BXTQKENODYITMZ-GLJUWKHASA-N 2 0 339.886 3.378 20 0 EGADRP O[C@@H](C[NH2+]CCSCc1cccc2ccccc21)C[NH+]1CCCC1 ZINC000600721200 460579383 /nfs/dbraw/zinc/57/93/83/460579383.db2.gz UDQLADCXNJHOPB-IBGZPJMESA-N 2 0 344.524 3.119 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158960815 455340455 /nfs/dbraw/zinc/34/04/55/455340455.db2.gz SZDJJMRMDBWRCP-IEBWSBKVSA-N 2 0 334.504 3.217 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@H](C)C1 ZINC000159280937 455366570 /nfs/dbraw/zinc/36/65/70/455366570.db2.gz QXUSBGBOZMGWKV-QAPCUYQASA-N 2 0 341.455 3.352 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000081362668 453865537 /nfs/dbraw/zinc/86/55/37/453865537.db2.gz XYBUPNMNYQTABR-LJQANCHMSA-N 2 0 343.515 3.086 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081578830 453890460 /nfs/dbraw/zinc/89/04/60/453890460.db2.gz ZEQKBPMLGOKWKL-HNNXBMFYSA-N 2 0 337.895 3.332 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(Br)c2)CC1 ZINC000053659160 453891859 /nfs/dbraw/zinc/89/18/59/453891859.db2.gz LEJPZXBERDYAOG-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000068442151 454027527 /nfs/dbraw/zinc/02/75/27/454027527.db2.gz OZIQLBUVQPFMPC-HXUWFJFHSA-N 2 0 343.515 3.032 20 0 EGADRP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056525376 454065154 /nfs/dbraw/zinc/06/51/54/454065154.db2.gz HUMJHZBZDJIEAG-KRWDZBQOSA-N 2 0 345.531 3.090 20 0 EGADRP c1cc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)n[nH]1 ZINC000068986183 454070557 /nfs/dbraw/zinc/07/05/57/454070557.db2.gz VZZKOGALCDXOPF-UHFFFAOYSA-N 2 0 326.488 3.234 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000044517461 454104548 /nfs/dbraw/zinc/10/45/48/454104548.db2.gz PLWHNCHCUZUJIM-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccco2)cc1OC ZINC000069750060 454141313 /nfs/dbraw/zinc/14/13/13/454141313.db2.gz FBUFQXXLYXWSFK-UHFFFAOYSA-N 2 0 332.444 3.299 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)o1 ZINC000046949295 454305917 /nfs/dbraw/zinc/30/59/17/454305917.db2.gz ZDGZEYUDDYEYNA-GOSISDBHSA-N 2 0 349.519 3.362 20 0 EGADRP CCC(CC)[C@H](C[NH2+]C1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC000132322396 454329031 /nfs/dbraw/zinc/32/90/31/454329031.db2.gz GTPHAABTHHLZOP-KRWDZBQOSA-N 2 0 331.495 3.206 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132338732 454330875 /nfs/dbraw/zinc/33/08/75/454330875.db2.gz DCZNNTGPSIGHNH-QFBILLFUSA-N 2 0 335.561 3.331 20 0 EGADRP Cc1cnccc1CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090847060 454345499 /nfs/dbraw/zinc/34/54/99/454345499.db2.gz LLXQBQPATMSFMJ-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047257456 454347283 /nfs/dbraw/zinc/34/72/83/454347283.db2.gz QIRHATORUHZCGT-WOJBJXKFSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090936897 454351935 /nfs/dbraw/zinc/35/19/35/454351935.db2.gz GYVQMBYFZLQUJF-AWEZNQCLSA-N 2 0 325.522 3.032 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC)cc1 ZINC000090936952 454352002 /nfs/dbraw/zinc/35/20/02/454352002.db2.gz FBENABYPHQFWAL-IBGZPJMESA-N 2 0 343.471 3.272 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cc2c(s1)CCCC2)CN1CC[NH+](C)CC1 ZINC000120893529 454361802 /nfs/dbraw/zinc/36/18/02/454361802.db2.gz IRTGELDVXFHQLG-CVEARBPZSA-N 2 0 335.561 3.161 20 0 EGADRP COc1ccc(Br)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121427 454394437 /nfs/dbraw/zinc/39/44/37/454394437.db2.gz MWPKCCUCXQOICJ-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000121139999 454397891 /nfs/dbraw/zinc/39/78/91/454397891.db2.gz OAUUKDGQKPTXEF-RXVVDRJESA-N 2 0 347.547 3.400 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073125485 454398095 /nfs/dbraw/zinc/39/80/95/454398095.db2.gz SFVOPRHLJSJRJB-INIZCTEOSA-N 2 0 338.455 3.287 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000121266328 454414058 /nfs/dbraw/zinc/41/40/58/454414058.db2.gz VDEFQTOFLUVHBL-LSDHHAIUSA-N 2 0 341.902 3.403 20 0 EGADRP COc1ccc([C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091283335 454421333 /nfs/dbraw/zinc/42/13/33/454421333.db2.gz PMVBBMCDIFGIND-SFTDATJTSA-N 2 0 347.547 3.254 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000121371395 454427213 /nfs/dbraw/zinc/42/72/13/454427213.db2.gz SODOJYRQJMWEBF-OAQYLSRUSA-N 2 0 329.532 3.064 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091320688 454427310 /nfs/dbraw/zinc/42/73/10/454427310.db2.gz WTWGCWVVLNMKID-GHTZIAJQSA-N 2 0 347.547 3.256 20 0 EGADRP C[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133647370 454449744 /nfs/dbraw/zinc/44/97/44/454449744.db2.gz LNDYQYAJDAJIDK-YLJYHZDGSA-N 2 0 345.531 3.264 20 0 EGADRP C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133647154 454450193 /nfs/dbraw/zinc/45/01/93/454450193.db2.gz LNDYQYAJDAJIDK-FXAWDEMLSA-N 2 0 345.531 3.264 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133678736 454454486 /nfs/dbraw/zinc/45/44/86/454454486.db2.gz QTAUXPXDPKUUAF-GOSISDBHSA-N 2 0 346.563 3.037 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000091734890 454464686 /nfs/dbraw/zinc/46/46/86/454464686.db2.gz QPBMCLASIBNUFV-KGLIPLIRSA-N 2 0 325.522 3.029 20 0 EGADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000079799193 454481383 /nfs/dbraw/zinc/48/13/83/454481383.db2.gz ZFLSNFBGXUTCIC-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122322692 454523033 /nfs/dbraw/zinc/52/30/33/454523033.db2.gz AEHMOSRQPKNSSL-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cn1 ZINC000122391347 454528291 /nfs/dbraw/zinc/52/82/91/454528291.db2.gz ZSTKKPNYZOOJIW-INIZCTEOSA-N 2 0 330.476 3.255 20 0 EGADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143015 454540208 /nfs/dbraw/zinc/54/02/08/454540208.db2.gz BFZRTCRCIPTMSO-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000104136972 454575035 /nfs/dbraw/zinc/57/50/35/454575035.db2.gz BUGFAFWMYHGNCY-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122878021 454577406 /nfs/dbraw/zinc/57/74/06/454577406.db2.gz POTIHIUJZONHNA-BFYDXBDKSA-N 2 0 332.488 3.054 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)CC3 ZINC000123086803 454601170 /nfs/dbraw/zinc/60/11/70/454601170.db2.gz PLWQAASBOGRAQS-GJZGRUSLSA-N 2 0 339.483 3.108 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123101361 454601993 /nfs/dbraw/zinc/60/19/93/454601993.db2.gz FJDYRWMWCRPBGM-IOMROCGXSA-N 2 0 329.532 3.143 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000092666286 454605560 /nfs/dbraw/zinc/60/55/60/454605560.db2.gz VYEWURHKLNTIRS-HDICACEKSA-N 2 0 340.515 3.158 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092753102 454624783 /nfs/dbraw/zinc/62/47/83/454624783.db2.gz KJMXJDQPTPEGMK-KRWDZBQOSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccc(N)cc3)n1)CC[NH2+]CC2 ZINC000634996484 460644462 /nfs/dbraw/zinc/64/44/62/460644462.db2.gz LHPDEBMXWNVACF-INIZCTEOSA-N 2 0 336.483 3.295 20 0 EGADRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1Br ZINC000105455119 454639515 /nfs/dbraw/zinc/63/95/15/454639515.db2.gz RWZDEIWWVCFXHO-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000123828414 454678904 /nfs/dbraw/zinc/67/89/04/454678904.db2.gz HTTFOUAXOBLPEL-JXFKEZNVSA-N 2 0 340.467 3.281 20 0 EGADRP C[N@H+](CCN1CC[NH+](C[C@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000093104890 454683391 /nfs/dbraw/zinc/68/33/91/454683391.db2.gz LRKBAGYVLYQTKB-NRFANRHFSA-N 2 0 327.516 3.092 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000635004232 460647975 /nfs/dbraw/zinc/64/79/75/460647975.db2.gz CRTZFVHVJGUDRX-XNRPHZJLSA-N 2 0 347.894 3.397 20 0 EGADRP C[C@@H](C[NH2+][C@H](c1cccs1)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000093405142 454712081 /nfs/dbraw/zinc/71/20/81/454712081.db2.gz VZTUOUUSWVWKTP-LPHOPBHVSA-N 2 0 335.561 3.453 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093405164 454712364 /nfs/dbraw/zinc/71/23/64/454712364.db2.gz WKGRKNTVXCYBGG-QUCCMNQESA-N 2 0 347.547 3.318 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161670959 454712489 /nfs/dbraw/zinc/71/24/89/454712489.db2.gz VFTHKHKFHNYOOY-CJNGLKHVSA-N 2 0 327.875 3.156 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000124302869 454715767 /nfs/dbraw/zinc/71/57/67/454715767.db2.gz PDWCCQDIKYQSAK-LJQANCHMSA-N 2 0 331.504 3.017 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2sccc2OC)CC1 ZINC000093769409 454734840 /nfs/dbraw/zinc/73/48/40/454734840.db2.gz ZGWITZHQJXPXSY-UHFFFAOYSA-N 2 0 340.533 3.327 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770441 454735101 /nfs/dbraw/zinc/73/51/01/454735101.db2.gz DTQPRXVENOCMBD-FQEVSTJZSA-N 2 0 331.548 3.418 20 0 EGADRP CSc1ccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000635007673 460651229 /nfs/dbraw/zinc/65/12/29/460651229.db2.gz GCOPISYDILZPGH-CQSZACIVSA-N 2 0 328.485 3.386 20 0 EGADRP CC[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(OC)cc1 ZINC000635008422 460651260 /nfs/dbraw/zinc/65/12/60/460651260.db2.gz JPTHNQZSUINPFL-GOSISDBHSA-N 2 0 326.444 3.063 20 0 EGADRP CCOC[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093839100 454739237 /nfs/dbraw/zinc/73/92/37/454739237.db2.gz QPOWOJRBYXJEJU-GOSISDBHSA-N 2 0 345.531 3.075 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009439 460652432 /nfs/dbraw/zinc/65/24/32/460652432.db2.gz GZIGEFSVTXNXPZ-MISYRCLQSA-N 2 0 329.532 3.265 20 0 EGADRP CC(C)Sc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162534754 454781474 /nfs/dbraw/zinc/78/14/74/454781474.db2.gz HSTRXCBTIKPZTR-QGZVFWFLSA-N 2 0 335.561 3.475 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162585725 454785970 /nfs/dbraw/zinc/78/59/70/454785970.db2.gz JFGAIOXOUKOZHG-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)cc1)C(C)C ZINC000108304231 454791583 /nfs/dbraw/zinc/79/15/83/454791583.db2.gz ZMZGQNVHBMOZPG-HXUWFJFHSA-N 2 0 343.515 3.131 20 0 EGADRP CSc1ccccc1NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139810983 454812164 /nfs/dbraw/zinc/81/21/64/454812164.db2.gz UXFFNSKHFAKTJC-ZMSDIMECSA-N 2 0 347.528 3.152 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000163545100 454854232 /nfs/dbraw/zinc/85/42/32/454854232.db2.gz NIWNSQJNSBYNES-KRWDZBQOSA-N 2 0 345.531 3.272 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1C ZINC000163583459 454856603 /nfs/dbraw/zinc/85/66/03/454856603.db2.gz NHUAZXLZJRGYOA-HNAYVOBHSA-N 2 0 335.923 3.377 20 0 EGADRP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154060937 454861912 /nfs/dbraw/zinc/86/19/12/454861912.db2.gz WNXCDSINRUOHGL-LPHOPBHVSA-N 2 0 345.487 3.174 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000154283411 454880702 /nfs/dbraw/zinc/88/07/02/454880702.db2.gz ADQICGFZLOTSBY-AWEZNQCLSA-N 2 0 327.875 3.157 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000154282613 454880906 /nfs/dbraw/zinc/88/09/06/454880906.db2.gz DUTRYDVNBUNVHG-SFHVURJKSA-N 2 0 325.447 3.033 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CCOC1 ZINC000164494256 454883571 /nfs/dbraw/zinc/88/35/71/454883571.db2.gz SOGUKHRWHSKDFA-QFBILLFUSA-N 2 0 328.456 3.426 20 0 EGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000150818206 454897236 /nfs/dbraw/zinc/89/72/36/454897236.db2.gz DXPUMPCKWQSWMW-OAHLLOKOSA-N 2 0 335.879 3.086 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165367163 454900079 /nfs/dbraw/zinc/90/00/79/454900079.db2.gz PTIFBHUMJVOSKT-GUXCAODWSA-N 2 0 333.495 3.108 20 0 EGADRP C[C@H](c1ccccn1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246410859 455484955 /nfs/dbraw/zinc/48/49/55/455484955.db2.gz RHDRDZUHUHXUDI-FGTMMUONSA-N 2 0 331.504 3.354 20 0 EGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126685141 454911410 /nfs/dbraw/zinc/91/14/10/454911410.db2.gz UXMQOVFLIQUUMT-MBSDFSHPSA-N 2 0 349.522 3.457 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150956415 454917740 /nfs/dbraw/zinc/91/77/40/454917740.db2.gz SJEIGZJPUALEQZ-CQSZACIVSA-N 2 0 338.565 3.252 20 0 EGADRP CCC[C@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151037762 454928587 /nfs/dbraw/zinc/92/85/87/454928587.db2.gz IRIFCSYSBWDXTG-GOSISDBHSA-N 2 0 347.547 3.105 20 0 EGADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000178037996 454928623 /nfs/dbraw/zinc/92/86/23/454928623.db2.gz ZAXROGBYEAVTIQ-MGPQQGTHSA-N 2 0 325.522 3.300 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000178412592 454953515 /nfs/dbraw/zinc/95/35/15/454953515.db2.gz ALLOMZFNQAXGMC-QGZVFWFLSA-N 2 0 342.487 3.136 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000127373260 454958913 /nfs/dbraw/zinc/95/89/13/454958913.db2.gz LUINDNGLIBOIFW-OAQYLSRUSA-N 2 0 338.499 3.494 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000178681920 454967662 /nfs/dbraw/zinc/96/76/62/454967662.db2.gz UGNRUWWKNULOKV-HNNXBMFYSA-N 2 0 326.488 3.216 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)N1CC[NH+](C)CC1 ZINC000127765750 454995288 /nfs/dbraw/zinc/99/52/88/454995288.db2.gz JDGZVMWZMGZHOO-HOTGVXAUSA-N 2 0 344.528 3.097 20 0 EGADRP COC(=O)c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000151627048 455008962 /nfs/dbraw/zinc/00/89/62/455008962.db2.gz DDFNPCZRHZPUJR-MRXNPFEDSA-N 2 0 334.435 3.063 20 0 EGADRP CC[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCC1 ZINC000151673056 455015196 /nfs/dbraw/zinc/01/51/96/455015196.db2.gz VSUYPOUTOIEHEE-HKUYNNGSSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000151914092 455048571 /nfs/dbraw/zinc/04/85/71/455048571.db2.gz XFGLSTYZKFGXBZ-GOSISDBHSA-N 2 0 327.472 3.138 20 0 EGADRP Cc1nccn1CCCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000179446247 455048631 /nfs/dbraw/zinc/04/86/31/455048631.db2.gz IVPMZWRSNSVFIQ-WNSKOXEYSA-N 2 0 333.501 3.402 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000179525047 455054985 /nfs/dbraw/zinc/05/49/85/455054985.db2.gz UGSIAESPZLVESR-MMQJMDILSA-N 2 0 339.886 3.376 20 0 EGADRP CCc1nc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000171305154 455060020 /nfs/dbraw/zinc/06/00/20/455060020.db2.gz VBTNIEVMNMCLTE-GASCZTMLSA-N 2 0 337.533 3.027 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000152405050 455114215 /nfs/dbraw/zinc/11/42/15/455114215.db2.gz GRKVRFOZCKCVII-QWHCGFSZSA-N 2 0 340.414 3.432 20 0 EGADRP CC1CC[NH+](CCN2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000152489823 455126836 /nfs/dbraw/zinc/12/68/36/455126836.db2.gz PMIUGEHMAXGXBB-UHFFFAOYSA-N 2 0 333.495 3.065 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000264013178 455182754 /nfs/dbraw/zinc/18/27/54/455182754.db2.gz GQEPUIPSYMXUBV-MJGOQNOKSA-N 2 0 333.520 3.306 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000237518818 455191567 /nfs/dbraw/zinc/19/15/67/455191567.db2.gz HNSPBILOEPZQNU-MAUKXSAKSA-N 2 0 331.504 3.051 20 0 EGADRP c1cn2c(cccc2C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000180547283 455193333 /nfs/dbraw/zinc/19/33/33/455193333.db2.gz NXHXHEMHVOXYAN-UHFFFAOYSA-N 2 0 326.488 3.422 20 0 EGADRP C[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237584391 455196316 /nfs/dbraw/zinc/19/63/16/455196316.db2.gz VFNWOVFHILRXCA-FPOVZHCZSA-N 2 0 329.532 3.363 20 0 EGADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182993749 455205888 /nfs/dbraw/zinc/20/58/88/455205888.db2.gz CWUKCCJIDPCBJN-QRWLVFNGSA-N 2 0 332.463 3.294 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000158583358 455314032 /nfs/dbraw/zinc/31/40/32/455314032.db2.gz RXQWTIFNIBBQBR-GUDVDZBRSA-N 2 0 343.515 3.355 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(-n2ccnc2C)c(F)c1)[NH+](CC)CC ZINC000265451025 455327321 /nfs/dbraw/zinc/32/73/21/455327321.db2.gz UBRZPDSSKZNUNP-QGZVFWFLSA-N 2 0 346.450 3.056 20 0 EGADRP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158938513 455338278 /nfs/dbraw/zinc/33/82/78/455338278.db2.gz AFADYRSMETZLMI-ROUUACIJSA-N 2 0 349.563 3.410 20 0 EGADRP COC(=O)c1oc([C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246100778 455426501 /nfs/dbraw/zinc/42/65/01/455426501.db2.gz OQSCZLBNMPCVQG-UXLLHSPISA-N 2 0 346.471 3.384 20 0 EGADRP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182269391 455477024 /nfs/dbraw/zinc/47/70/24/455477024.db2.gz PQAPJHJRUVXHKT-UGSOOPFHSA-N 2 0 345.512 3.177 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246928142 455536616 /nfs/dbraw/zinc/53/66/16/455536616.db2.gz GZBYRQSVSMNDKB-GHTZIAJQSA-N 3 0 347.547 3.227 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000247018837 455544253 /nfs/dbraw/zinc/54/42/53/455544253.db2.gz LRSAFFAMMSSSHL-ICSRJNTNSA-N 2 0 334.504 3.100 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247022379 455545369 /nfs/dbraw/zinc/54/53/69/455545369.db2.gz MZCGIXCOLKPICF-RDJZCZTQSA-N 2 0 332.488 3.055 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000247026688 455546622 /nfs/dbraw/zinc/54/66/22/455546622.db2.gz NGPBWGLDMHPCGD-QRVBRYPASA-N 2 0 348.531 3.495 20 0 EGADRP Cc1nc2c(s1)[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)CCC2 ZINC000247058571 455552656 /nfs/dbraw/zinc/55/26/56/455552656.db2.gz PJTZPYIOPKMERH-OFQRWUPVSA-N 2 0 337.533 3.308 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000247195840 455570994 /nfs/dbraw/zinc/57/09/94/455570994.db2.gz VZLXVSANRFIOFG-SFHLNBCPSA-N 3 0 344.547 3.004 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000247214497 455574303 /nfs/dbraw/zinc/57/43/03/455574303.db2.gz WAFWHEJAUVMQLN-SWLSCSKDSA-N 2 0 328.403 3.117 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182721292 455575768 /nfs/dbraw/zinc/57/57/68/455575768.db2.gz YTDVSVYUNJUCIU-OALUTQOASA-N 2 0 347.522 3.249 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCn2c(C)csc2=O)CC1 ZINC000182738762 455579668 /nfs/dbraw/zinc/57/96/68/455579668.db2.gz OQWLNNXBPKCEHZ-UHFFFAOYSA-N 2 0 339.549 3.052 20 0 EGADRP CC(C)CO[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000247315325 455587630 /nfs/dbraw/zinc/58/76/30/455587630.db2.gz FWMYYBYNFJGQAI-BGEOSOQGSA-N 2 0 338.536 3.036 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185687994 455596798 /nfs/dbraw/zinc/59/67/98/455596798.db2.gz UYQSOCBRYBRFAF-YFVAEKQCSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@@H](NCC(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702326 455600504 /nfs/dbraw/zinc/60/05/04/455600504.db2.gz HWHDBESCSSRRMK-IAGOWNOFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000277627630 455618560 /nfs/dbraw/zinc/61/85/60/455618560.db2.gz BXEFSZDCASPPDY-CQSZACIVSA-N 2 0 330.394 3.296 20 0 EGADRP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000277654877 455626162 /nfs/dbraw/zinc/62/61/62/455626162.db2.gz DXLCABSJSGSWMM-OAHLLOKOSA-N 2 0 338.517 3.008 20 0 EGADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1)C1CCOCC1 ZINC000284102451 455636892 /nfs/dbraw/zinc/63/68/92/455636892.db2.gz BUTKQISRUHKMPY-HXUWFJFHSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000185872953 455639899 /nfs/dbraw/zinc/63/98/99/455639899.db2.gz NLXQXDQGHPIRJA-INIZCTEOSA-N 2 0 345.462 3.201 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000271450936 455640980 /nfs/dbraw/zinc/64/09/80/455640980.db2.gz DPFPFTWBTIFHGP-HKBOAZHASA-N 2 0 328.500 3.340 20 0 EGADRP FCCCCC[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000284172454 455646111 /nfs/dbraw/zinc/64/61/11/455646111.db2.gz QUONTWKRSNHYLB-LJQANCHMSA-N 2 0 348.510 3.055 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271488624 455656188 /nfs/dbraw/zinc/65/61/88/455656188.db2.gz KDTZNDJPBQXVNX-ACRUOGEOSA-N 2 0 348.506 3.360 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000247942637 455657830 /nfs/dbraw/zinc/65/78/30/455657830.db2.gz DEGUYTDEWZHXBX-OXJNMPFZSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247973581 455662815 /nfs/dbraw/zinc/66/28/15/455662815.db2.gz HNYGBNGLKWSOFF-BPQIPLTHSA-N 2 0 340.471 3.138 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000247970965 455663497 /nfs/dbraw/zinc/66/34/97/455663497.db2.gz JIBMHFKJXOKODE-VQIMIIECSA-N 2 0 329.532 3.406 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271520764 455670715 /nfs/dbraw/zinc/67/07/15/455670715.db2.gz PLWSBZUZPIQVTL-KYNGSXCRSA-N 2 0 334.529 3.437 20 0 EGADRP COC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000284409136 455681245 /nfs/dbraw/zinc/68/12/45/455681245.db2.gz QJALOKWXFHVBPN-OAQYLSRUSA-N 2 0 346.515 3.454 20 0 EGADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000271616012 455700670 /nfs/dbraw/zinc/70/06/70/455700670.db2.gz XSAKHOOSMFXROQ-KRWDZBQOSA-N 2 0 339.483 3.198 20 0 EGADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000271616013 455700677 /nfs/dbraw/zinc/70/06/77/455700677.db2.gz XSAKHOOSMFXROQ-QGZVFWFLSA-N 2 0 339.483 3.198 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC1CC[NH+](C)CC1)CCC2 ZINC000192830515 455702450 /nfs/dbraw/zinc/70/24/50/455702450.db2.gz VPNLTTUPLJSITN-INIZCTEOSA-N 2 0 348.487 3.464 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000268867976 455715597 /nfs/dbraw/zinc/71/55/97/455715597.db2.gz AIZCMVXQSJJKFM-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC=C(c3ccccc3)C2)CC1 ZINC000284754428 455736922 /nfs/dbraw/zinc/73/69/22/455736922.db2.gz LTAPMRMBMZHCLR-UHFFFAOYSA-N 2 0 327.516 3.192 20 0 EGADRP C[C@@H]1C[C@H](NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000268983914 455752287 /nfs/dbraw/zinc/75/22/87/455752287.db2.gz PRZANEUUQHZIKS-RLLQIKCJSA-N 2 0 347.572 3.066 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000271840874 455783031 /nfs/dbraw/zinc/78/30/31/455783031.db2.gz GQNXTOSXIMBMLR-APWZRJJASA-N 2 0 334.504 3.075 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194009893 455791791 /nfs/dbraw/zinc/79/17/91/455791791.db2.gz CUSFAWGTQUTBCV-YZGWKJHDSA-N 2 0 344.499 3.064 20 0 EGADRP Cc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000269122057 455794135 /nfs/dbraw/zinc/79/41/35/455794135.db2.gz XWFZWZYVDAICPQ-MRXNPFEDSA-N 2 0 328.456 3.396 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186565518 455794652 /nfs/dbraw/zinc/79/46/52/455794652.db2.gz XHPAHFVACVZVGE-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)C(C)C ZINC000194406797 455838243 /nfs/dbraw/zinc/83/82/43/455838243.db2.gz CJPUFBJEDFDAQS-SFHVURJKSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000186875601 455846945 /nfs/dbraw/zinc/84/69/45/455846945.db2.gz SYQWOZWHGTYIPU-DGQTTZFYSA-N 2 0 329.532 3.215 20 0 EGADRP c1ccc(C[N@H+]2CC[C@]3(CCN(CC[NH+]4CCCCC4)C3)C2)cc1 ZINC000285480222 455854546 /nfs/dbraw/zinc/85/45/46/455854546.db2.gz IBTFXIIJODXWJS-NRFANRHFSA-N 2 0 327.516 3.070 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1OC ZINC000285604267 455880866 /nfs/dbraw/zinc/88/08/66/455880866.db2.gz JWQQSJCEMBCMMU-GOEBONIOSA-N 2 0 332.488 3.017 20 0 EGADRP C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261619935 455914585 /nfs/dbraw/zinc/91/45/85/455914585.db2.gz GGYRMEHXHFRZJP-TZMCWYRMSA-N 2 0 328.287 3.034 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272332334 455916428 /nfs/dbraw/zinc/91/64/28/455916428.db2.gz NEORSPMJMRHIHI-GJYPPUQNSA-N 2 0 326.488 3.290 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1 ZINC000261705683 455932848 /nfs/dbraw/zinc/93/28/48/455932848.db2.gz IIYJGRZHHYNEHZ-UHFFFAOYSA-N 2 0 344.459 3.185 20 0 EGADRP Cc1cnc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000296463431 455945432 /nfs/dbraw/zinc/94/54/32/455945432.db2.gz OVNKWGBUQJXYIH-UHFFFAOYSA-N 2 0 344.528 3.144 20 0 EGADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000280320056 455946310 /nfs/dbraw/zinc/94/63/10/455946310.db2.gz QGJMGHRXWPQLSL-HZPDHXFCSA-N 2 0 342.405 3.387 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000187742865 455946858 /nfs/dbraw/zinc/94/68/58/455946858.db2.gz AIDNZGACMBDYDJ-UHFFFAOYSA-N 2 0 337.508 3.018 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1c(Cl)cccc1Cl ZINC000261814218 455952186 /nfs/dbraw/zinc/95/21/86/455952186.db2.gz ADHKDFIJYBTAMY-MRXNPFEDSA-N 2 0 342.270 3.007 20 0 EGADRP Cn1cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2ccccc2)n1 ZINC000261842144 455957085 /nfs/dbraw/zinc/95/70/85/455957085.db2.gz ZZJAFLKOYJGYMX-VQTJNVASSA-N 2 0 332.451 3.014 20 0 EGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000286023357 455961865 /nfs/dbraw/zinc/96/18/65/455961865.db2.gz JWDJRVIYJAKJTM-CXAGYDPISA-N 2 0 333.476 3.035 20 0 EGADRP CC[N@H+](CC(=O)Nc1cccc2c1CN(c1ccccn1)C2)C1CC1 ZINC000270475870 455963748 /nfs/dbraw/zinc/96/37/48/455963748.db2.gz NSIRTCTZSWJWJJ-UHFFFAOYSA-N 2 0 336.439 3.025 20 0 EGADRP Clc1ccc(O[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000261914728 455970367 /nfs/dbraw/zinc/97/03/67/455970367.db2.gz JTNBOHYETIZIHL-JSGCOSHPSA-N 2 0 329.271 3.446 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187956559 455971312 /nfs/dbraw/zinc/97/13/12/455971312.db2.gz NUCXKKHOEBMVNC-CEMLEFRQSA-N 2 0 343.559 3.360 20 0 EGADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(-c2cnn(C)c2)c1 ZINC000261943991 455976192 /nfs/dbraw/zinc/97/61/92/455976192.db2.gz NDRGTPKIIVNIAC-OAQYLSRUSA-N 2 0 338.499 3.360 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261956504 455977427 /nfs/dbraw/zinc/97/74/27/455977427.db2.gz NZIGILIWIUFNBH-GFCCVEGCSA-N 2 0 344.286 3.253 20 0 EGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000262007330 455985011 /nfs/dbraw/zinc/98/50/11/455985011.db2.gz RYWZHUGRIRNCLW-DLBZAZTESA-N 2 0 345.531 3.136 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H](C[NH3+])C3)CCC2)c1 ZINC000262094927 455997313 /nfs/dbraw/zinc/99/73/13/455997313.db2.gz HSJGQAZUUOAQDT-SFHVURJKSA-N 2 0 332.488 3.053 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000262184844 456009389 /nfs/dbraw/zinc/00/93/89/456009389.db2.gz JBKATGWWXYDWJN-GVDBMIGSSA-N 2 0 348.487 3.113 20 0 EGADRP COC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000296744623 456026615 /nfs/dbraw/zinc/02/66/15/456026615.db2.gz JZLILWIQOSLUAP-WMLDXEAASA-N 2 0 336.863 3.043 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262384946 456030800 /nfs/dbraw/zinc/03/08/00/456030800.db2.gz NKDCKKJSMCIOAV-GIOYIUAESA-N 2 0 329.488 3.149 20 0 EGADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272677534 456035872 /nfs/dbraw/zinc/03/58/72/456035872.db2.gz MFZKMMUCMDWRJZ-KXJGTOPRSA-N 2 0 348.556 3.034 20 0 EGADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000262449846 456036980 /nfs/dbraw/zinc/03/69/80/456036980.db2.gz HSFPDOUXNXQPSX-VXGBXAGGSA-N 2 0 344.286 3.239 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000270842229 456051780 /nfs/dbraw/zinc/05/17/80/456051780.db2.gz VTUIYPCHGYGMOJ-SEONNTABSA-N 2 0 328.500 3.231 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000262710834 456054705 /nfs/dbraw/zinc/05/47/05/456054705.db2.gz QHCPRYITSRONFC-OXJNMPFZSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cscn1 ZINC000271064102 456116640 /nfs/dbraw/zinc/11/66/40/456116640.db2.gz CRNHGYWYYDFPPW-LPHOPBHVSA-N 2 0 344.528 3.173 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCN[C@H](C)c3cscn3)CC2)c1 ZINC000271191175 456162597 /nfs/dbraw/zinc/16/25/97/456162597.db2.gz XRCJXYWKIPZQRD-QGZVFWFLSA-N 2 0 344.528 3.314 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236687057 456169337 /nfs/dbraw/zinc/16/93/37/456169337.db2.gz PPNUZZUELYOKIC-KRWDZBQOSA-N 2 0 345.531 3.442 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4=CCCOC4)[C@H]3C2)cc1 ZINC000273077498 456169964 /nfs/dbraw/zinc/16/99/64/456169964.db2.gz PYOGJJLCFFKZFW-PCCBWWKXSA-N 2 0 326.484 3.223 20 0 EGADRP Cc1ccc(CCC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000273134881 456188730 /nfs/dbraw/zinc/18/87/30/456188730.db2.gz JDQXBLJXUVHYDJ-UHFFFAOYSA-N 2 0 343.559 3.418 20 0 EGADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Oc1ccccc1F ZINC000297350203 456195220 /nfs/dbraw/zinc/19/52/20/456195220.db2.gz FDZYNTBJFUQQGA-OAHLLOKOSA-N 2 0 329.419 3.247 20 0 EGADRP C[C@@H](NCc1ncccc1N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289966751 456198935 /nfs/dbraw/zinc/19/89/35/456198935.db2.gz XEQFXEKMJMDEPC-MJGOQNOKSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000290099354 456240030 /nfs/dbraw/zinc/24/00/30/456240030.db2.gz HWZRFKPYCLLQND-GIVPXCGWSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000290286736 456280297 /nfs/dbraw/zinc/28/02/97/456280297.db2.gz MNFPOTQCLHOBTL-AEFFLSMTSA-N 2 0 340.467 3.454 20 0 EGADRP COC1CCC([NH+](C)C/C=C/C[N@@H+](C)C2CCC(OC)CC2)CC1 ZINC000340194534 456305950 /nfs/dbraw/zinc/30/59/50/456305950.db2.gz LQAZZLPOAXBWEN-AATRIKPKSA-N 2 0 338.536 3.321 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000297860942 456311280 /nfs/dbraw/zinc/31/12/80/456311280.db2.gz PCORYGMUKAQZAW-UHFFFAOYSA-N 2 0 332.517 3.355 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297994814 456339338 /nfs/dbraw/zinc/33/93/38/456339338.db2.gz YZKPFIRONYEMPH-RBUKOAKNSA-N 2 0 345.531 3.075 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)CC1 ZINC000290484537 456340648 /nfs/dbraw/zinc/34/06/48/456340648.db2.gz OEBNQVILGIOKEU-MRXNPFEDSA-N 2 0 344.528 3.437 20 0 EGADRP CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347749141 456348169 /nfs/dbraw/zinc/34/81/69/456348169.db2.gz ABBMNZALYGPYJI-WOJBJXKFSA-N 2 0 345.531 3.087 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000337421534 456351669 /nfs/dbraw/zinc/35/16/69/456351669.db2.gz QDZNUJXKXIWFAP-HNNXBMFYSA-N 2 0 335.458 3.065 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000347776817 456362753 /nfs/dbraw/zinc/36/27/53/456362753.db2.gz LXLPPYHOSJRUCE-FQEVSTJZSA-N 2 0 343.515 3.277 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H]1SC ZINC000298269736 456410800 /nfs/dbraw/zinc/41/08/00/456410800.db2.gz GFLSOZNYDYVMPW-WCIQWLHISA-N 2 0 348.556 3.050 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000353044544 456459891 /nfs/dbraw/zinc/45/98/91/456459891.db2.gz FXGFABHAFOUMHD-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000298621934 456502854 /nfs/dbraw/zinc/50/28/54/456502854.db2.gz PFIWOURJAIJSTQ-ZACQAIPSSA-N 2 0 347.503 3.135 20 0 EGADRP CSC1(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CC[NH+](C)CC1 ZINC000353193090 456550545 /nfs/dbraw/zinc/55/05/45/456550545.db2.gz RCHPUPXSIYDFSF-UHFFFAOYSA-N 2 0 340.920 3.192 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282557265 456551145 /nfs/dbraw/zinc/55/11/45/456551145.db2.gz DDMPFKWJNMWVTC-IAGOWNOFSA-N 2 0 337.939 3.134 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657898460 462311567 /nfs/dbraw/zinc/31/15/67/462311567.db2.gz ONQIGEINVVWDEQ-SFHVURJKSA-N 2 0 343.559 3.112 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000340599589 456559769 /nfs/dbraw/zinc/55/97/69/456559769.db2.gz SNJHANJZZVDURK-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP COCc1ccccc1/C=C(/C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000353208472 456560653 /nfs/dbraw/zinc/56/06/53/456560653.db2.gz XCQYSOMTNDOJTB-BSKAQADGSA-N 2 0 346.515 3.327 20 0 EGADRP C[N@H+](CCCC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000310529335 456583135 /nfs/dbraw/zinc/58/31/35/456583135.db2.gz PNJWRPRXURBOOS-UHFFFAOYSA-N 2 0 329.532 3.363 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)c1 ZINC000291315191 456602402 /nfs/dbraw/zinc/60/24/02/456602402.db2.gz UFXSELQKAIPCLN-OAQYLSRUSA-N 2 0 340.467 3.500 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(O)ccc1Br ZINC000315624067 456607832 /nfs/dbraw/zinc/60/78/32/456607832.db2.gz TXLZXBDWFMENIR-UHFFFAOYSA-N 2 0 329.282 3.365 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)N(C)C)cc1 ZINC000348318224 456618340 /nfs/dbraw/zinc/61/83/40/456618340.db2.gz FMCNKKLCONIDIG-HBGVWJBISA-N 2 0 345.531 3.149 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(-c2cnn(C)c2)c1 ZINC000282773937 456620526 /nfs/dbraw/zinc/62/05/26/456620526.db2.gz XDHSTZYZMDNGPL-KRWDZBQOSA-N 2 0 326.488 3.217 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000348328795 456626734 /nfs/dbraw/zinc/62/67/34/456626734.db2.gz QDGLKHYNVDDPFH-ZJOUEHCJSA-N 2 0 345.531 3.293 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000340712509 456643658 /nfs/dbraw/zinc/64/36/58/456643658.db2.gz OVQSXZOTZCKRBH-LJQANCHMSA-N 2 0 330.451 3.080 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277129353 456691758 /nfs/dbraw/zinc/69/17/58/456691758.db2.gz GJUWOSFXHOYOKP-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000326284940 456692210 /nfs/dbraw/zinc/69/22/10/456692210.db2.gz YVIIKAVCICXDLJ-LJQANCHMSA-N 2 0 337.552 3.255 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccc1-n1ccnn1 ZINC000353432909 456696066 /nfs/dbraw/zinc/69/60/66/456696066.db2.gz DMBCRIIXPYKOQR-KRWDZBQOSA-N 2 0 327.476 3.040 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000326593437 456696149 /nfs/dbraw/zinc/69/61/49/456696149.db2.gz DGIAJADEIPXZCQ-OALUTQOASA-N 2 0 331.504 3.052 20 0 EGADRP COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c2ccccc12 ZINC000353527664 456738778 /nfs/dbraw/zinc/73/87/78/456738778.db2.gz FBIXRTLLDVAWFO-UHFFFAOYSA-N 2 0 342.483 3.391 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1O ZINC000277267673 456752499 /nfs/dbraw/zinc/75/24/99/456752499.db2.gz RBJCYZYCKLCTLJ-INIZCTEOSA-N 2 0 334.504 3.432 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000344109572 456798064 /nfs/dbraw/zinc/79/80/64/456798064.db2.gz DWZWCMAFKLMMAT-QRWLVFNGSA-N 2 0 332.463 3.294 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000338434432 456816914 /nfs/dbraw/zinc/81/69/14/456816914.db2.gz BMFRTFAFXQCDEW-ROUUACIJSA-N 2 0 343.515 3.133 20 0 EGADRP COC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000353661741 456838694 /nfs/dbraw/zinc/83/86/94/456838694.db2.gz QQSGDNVZOZDRTN-MRXNPFEDSA-N 2 0 342.936 3.445 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765977 456896686 /nfs/dbraw/zinc/89/66/86/456896686.db2.gz FRLVNKRXXOPFPA-OXJNMPFZSA-N 2 0 326.488 3.485 20 0 EGADRP C[C@H]1CCc2nc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)sc2C1 ZINC000349199078 456911821 /nfs/dbraw/zinc/91/18/21/456911821.db2.gz XYWBMGVCGAIWLY-GOEBONIOSA-N 2 0 333.545 3.432 20 0 EGADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000339069748 456925934 /nfs/dbraw/zinc/92/59/34/456925934.db2.gz VIBIGKPVYAEQRK-VQTJNVASSA-N 2 0 327.516 3.040 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2)n1 ZINC000341907382 456995477 /nfs/dbraw/zinc/99/54/77/456995477.db2.gz ZYDUNVWEYXWIGK-QLVMHMETSA-N 2 0 340.515 3.350 20 0 EGADRP Cc1ccoc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000354010049 457005493 /nfs/dbraw/zinc/00/54/93/457005493.db2.gz MDFIFPZURZTFEB-UHFFFAOYSA-N 2 0 333.520 3.216 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288804 457071689 /nfs/dbraw/zinc/07/16/89/457071689.db2.gz NHSBWEGOSYJICP-FZKQIMNGSA-N 2 0 329.444 3.304 20 0 EGADRP CC(C)C[C@H]([NH3+])c1noc(-c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000339385697 457082665 /nfs/dbraw/zinc/08/26/65/457082665.db2.gz QVQFOOWXYVXJAQ-INIZCTEOSA-N 2 0 346.500 3.331 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000354133906 457086982 /nfs/dbraw/zinc/08/69/82/457086982.db2.gz LPIMQQSFJBZPDK-UHFFFAOYSA-N 2 0 338.517 3.139 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(N3CCCCC3)ncn2)C1 ZINC000359468363 457087006 /nfs/dbraw/zinc/08/70/06/457087006.db2.gz VNVOYUMWXNYULN-FGTMMUONSA-N 2 0 343.519 3.309 20 0 EGADRP CC(C)OCC[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000349885337 457093509 /nfs/dbraw/zinc/09/35/09/457093509.db2.gz SHMULHSBZINPOQ-NRFANRHFSA-N 2 0 348.531 3.006 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000346666879 457101937 /nfs/dbraw/zinc/10/19/37/457101937.db2.gz DSXPVLWXRFVLNR-UHFFFAOYSA-N 2 0 333.863 3.218 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@H]21 ZINC000342091849 457103287 /nfs/dbraw/zinc/10/32/87/457103287.db2.gz CXRKVVKJGAACOX-CEWLAPEOSA-N 2 0 337.467 3.220 20 0 EGADRP CC(C)C[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC000354170785 457106788 /nfs/dbraw/zinc/10/67/88/457106788.db2.gz CTGZWRJEGBODTI-YQVWRLOYSA-N 2 0 348.535 3.001 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000342101311 457108521 /nfs/dbraw/zinc/10/85/21/457108521.db2.gz PYFNVMFQUXQEKL-KRWDZBQOSA-N 2 0 335.536 3.057 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219776 457137721 /nfs/dbraw/zinc/13/77/21/457137721.db2.gz DICVXNTWQPQUMK-ZWKOTPCHSA-N 2 0 331.504 3.355 20 0 EGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000354270802 457166241 /nfs/dbraw/zinc/16/62/41/457166241.db2.gz HTUSGDNOGLYOLG-FQEVSTJZSA-N 2 0 345.531 3.212 20 0 EGADRP FC(F)(F)CCN1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000356909733 457212463 /nfs/dbraw/zinc/21/24/63/457212463.db2.gz YPZAKVSEOVXLHW-UHFFFAOYSA-N 2 0 333.442 3.010 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000339688416 457214553 /nfs/dbraw/zinc/21/45/53/457214553.db2.gz VESBGGWCBMDVNI-INIZCTEOSA-N 2 0 335.561 3.475 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000331639336 457222327 /nfs/dbraw/zinc/22/23/27/457222327.db2.gz IDSCSQYFDSWRDE-YJBOKZPZSA-N 2 0 333.451 3.430 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](C)C2 ZINC000331728642 457241253 /nfs/dbraw/zinc/24/12/53/457241253.db2.gz ZPUBRVUPGDMKJM-KVSKMBFKSA-N 2 0 329.488 3.455 20 0 EGADRP Fc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OC(F)F ZINC000347185992 457277169 /nfs/dbraw/zinc/27/71/69/457277169.db2.gz ZISPIWJMDPPEMF-OAHLLOKOSA-N 2 0 328.378 3.391 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357077677 457310546 /nfs/dbraw/zinc/31/05/46/457310546.db2.gz KUXWOLGUUAICSU-HOCLYGCPSA-N 2 0 347.528 3.057 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357088128 457315396 /nfs/dbraw/zinc/31/53/96/457315396.db2.gz OCTGWECRIZPPFS-YOEHRIQHSA-N 2 0 326.444 3.119 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)N2CCCCC2)CC1)CC1CC1 ZINC000357087434 457315455 /nfs/dbraw/zinc/31/54/55/457315455.db2.gz PWZBCJXEENYTHT-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Fc1ccc(-c2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000357092915 457318793 /nfs/dbraw/zinc/31/87/93/457318793.db2.gz UZEMMAOWRWQYGI-MRXNPFEDSA-N 2 0 329.419 3.302 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000360838421 457377282 /nfs/dbraw/zinc/37/72/82/457377282.db2.gz UHXQECCWHAMICF-YLJYHZDGSA-N 2 0 329.532 3.272 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000352512370 457429686 /nfs/dbraw/zinc/42/96/86/457429686.db2.gz XDDHOIWFLBWXDW-HNNXBMFYSA-N 2 0 334.851 3.136 20 0 EGADRP C[C@](O)(C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000393886141 457470166 /nfs/dbraw/zinc/47/01/66/457470166.db2.gz RXDTVSVVZPHQSA-IRXDYDNUSA-N 2 0 344.421 3.192 20 0 EGADRP Cc1cc(C)cc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374075653 457470700 /nfs/dbraw/zinc/47/07/00/457470700.db2.gz VVSYKTXRDMLHJU-UHFFFAOYSA-N 2 0 329.488 3.050 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000357384572 457484699 /nfs/dbraw/zinc/48/46/99/457484699.db2.gz FKXJMEFYQZSBBW-LPHOPBHVSA-N 2 0 331.504 3.129 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC(F)F ZINC000397295136 457486644 /nfs/dbraw/zinc/48/66/44/457486644.db2.gz ZGVRJRJCIRIDEW-SCRDCRAPSA-N 2 0 328.403 3.102 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400468146 457516608 /nfs/dbraw/zinc/51/66/08/457516608.db2.gz WVJHAKYDHOTJFQ-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400466360 457517153 /nfs/dbraw/zinc/51/71/53/457517153.db2.gz WCQARKDLXCOPHN-NVXWUHKLSA-N 2 0 339.524 3.238 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000401022419 457521763 /nfs/dbraw/zinc/52/17/63/457521763.db2.gz YIBOWAVWNDYZEA-CIAFKFPVSA-N 3 0 341.543 3.266 20 0 EGADRP Brc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400996458 457522188 /nfs/dbraw/zinc/52/21/88/457522188.db2.gz JAJQVBSGOFRDOY-QJPTWQEYSA-N 2 0 329.307 3.031 20 0 EGADRP CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000347598008 457538740 /nfs/dbraw/zinc/53/87/40/457538740.db2.gz XFZASMBYMDGFDW-IEBWSBKVSA-N 2 0 345.531 3.054 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2ccccc2C1 ZINC000361049063 457542987 /nfs/dbraw/zinc/54/29/87/457542987.db2.gz BEFXRICFOXZHSI-UWJYYQICSA-N 2 0 343.515 3.334 20 0 EGADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)c(C)c2c1 ZINC000361182547 457633848 /nfs/dbraw/zinc/63/38/48/457633848.db2.gz CTAYHWXWNUKHGA-GOEBONIOSA-N 2 0 345.487 3.036 20 0 EGADRP COc1ccc2oc([C@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)c(C)c2c1 ZINC000361182549 457634173 /nfs/dbraw/zinc/63/41/73/457634173.db2.gz CTAYHWXWNUKHGA-ZBFHGGJFSA-N 2 0 345.487 3.036 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)C2)CC1 ZINC000364661454 457667908 /nfs/dbraw/zinc/66/79/08/457667908.db2.gz POSPVEUBQJPGEY-HBMCJLEFSA-N 2 0 341.543 3.156 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC000370634068 457687240 /nfs/dbraw/zinc/68/72/40/457687240.db2.gz JQBNCNVEINLBHR-UTKZUKDTSA-N 2 0 341.543 3.385 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370632920 457687326 /nfs/dbraw/zinc/68/73/26/457687326.db2.gz DWWNSLRWEOECNX-TZIWHRDSSA-N 2 0 347.522 3.151 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000370636982 457687739 /nfs/dbraw/zinc/68/77/39/457687739.db2.gz TUZRPOQOUFSBLS-LLGFUMIMSA-N 2 0 327.516 3.383 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCSc4c(F)cccc43)C2)CC1 ZINC000370638401 457688892 /nfs/dbraw/zinc/68/88/92/457688892.db2.gz XKGKSZCNTXNNEF-KSSFIOAISA-N 2 0 349.519 3.121 20 0 EGADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000361340278 457699245 /nfs/dbraw/zinc/69/92/45/457699245.db2.gz BWDZHKAIOVICSA-KRWDZBQOSA-N 2 0 342.487 3.228 20 0 EGADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000357844601 457709538 /nfs/dbraw/zinc/70/95/38/457709538.db2.gz GDMYVCQRIJSPSF-HUUCEWRRSA-N 2 0 343.393 3.086 20 0 EGADRP Cc1csc(N2CCC([NH2+]CC(C)(C)C[NH+]3CCCC3)CC2)n1 ZINC000361443028 457733625 /nfs/dbraw/zinc/73/36/25/457733625.db2.gz OFSRMNYZAFTNIH-UHFFFAOYSA-N 2 0 336.549 3.132 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000358026014 457743867 /nfs/dbraw/zinc/74/38/67/457743867.db2.gz UAZNQMCNLRRRCY-KURKYZTESA-N 2 0 346.515 3.201 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000358026015 457744052 /nfs/dbraw/zinc/74/40/52/457744052.db2.gz UAZNQMCNLRRRCY-KZNAEPCWSA-N 2 0 346.515 3.201 20 0 EGADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)(C)c1ccccc1 ZINC000433172214 457768989 /nfs/dbraw/zinc/76/89/89/457768989.db2.gz GUFCYKVNLNMXHR-LJQANCHMSA-N 2 0 345.531 3.062 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SC)C2)[C@H](C)C1 ZINC000361523871 457769991 /nfs/dbraw/zinc/76/99/91/457769991.db2.gz HBIRCTAJMJCFQW-TVFCKZIOSA-N 2 0 328.566 3.387 20 0 EGADRP NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411220762 457832541 /nfs/dbraw/zinc/83/25/41/457832541.db2.gz SVEKILUFIPQZRJ-GOSISDBHSA-N 2 0 343.515 3.150 20 0 EGADRP COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411314932 457856314 /nfs/dbraw/zinc/85/63/14/457856314.db2.gz GFFNIWYCSNMQGQ-FQEVSTJZSA-N 2 0 330.472 3.058 20 0 EGADRP OC1(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000411334799 457858972 /nfs/dbraw/zinc/85/89/72/457858972.db2.gz ZHIANYCGVVQREU-UXHICEINSA-N 2 0 328.500 3.278 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444177229 457864164 /nfs/dbraw/zinc/86/41/64/457864164.db2.gz TXMJCSYANMFKDG-INIZCTEOSA-N 2 0 335.467 3.269 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000411369370 457866565 /nfs/dbraw/zinc/86/65/65/457866565.db2.gz YAPRYZCESVIZOW-ROUUACIJSA-N 2 0 337.552 3.170 20 0 EGADRP C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411409416 457879220 /nfs/dbraw/zinc/87/92/20/457879220.db2.gz BDTAOPYKUAEMQQ-SFHVURJKSA-N 2 0 343.515 3.134 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257625 457892614 /nfs/dbraw/zinc/89/26/14/457892614.db2.gz SFSWIGIMHOYXBM-JXFKEZNVSA-N 2 0 326.440 3.196 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000411465917 457895804 /nfs/dbraw/zinc/89/58/04/457895804.db2.gz YWEXYQPDTWAYJX-NRFANRHFSA-N 2 0 345.531 3.271 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427103794 457944012 /nfs/dbraw/zinc/94/40/12/457944012.db2.gz ZBLJGVSOCOZCCO-KBXCAEBGSA-N 2 0 330.863 3.018 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000458155134 457947097 /nfs/dbraw/zinc/94/70/97/457947097.db2.gz AMTRJAGMDPIUPJ-GOSISDBHSA-N 2 0 343.515 3.134 20 0 EGADRP CN(CC(=O)N(c1ccccc1)C1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000358370356 457960502 /nfs/dbraw/zinc/96/05/02/457960502.db2.gz PELSZBLHMSTORT-GOSISDBHSA-N 2 0 343.515 3.426 20 0 EGADRP C[C@H]1C[N@H+](CCCN[C@@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599170 457965776 /nfs/dbraw/zinc/96/57/76/457965776.db2.gz UKKIUDMPYZEFCN-FUHWJXTLSA-N 2 0 334.508 3.122 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(C)c(C)s2)[C@@H](C)C1 ZINC000361944196 457971000 /nfs/dbraw/zinc/97/10/00/457971000.db2.gz GJUKNKYSTWPQEV-YOEHRIQHSA-N 2 0 339.549 3.029 20 0 EGADRP C[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000368935529 458067765 /nfs/dbraw/zinc/06/77/65/458067765.db2.gz ZXDZNMXILNETAV-UWVAXJGDSA-N 2 0 349.950 3.401 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000412133719 458102456 /nfs/dbraw/zinc/10/24/56/458102456.db2.gz RFILUYWTNBLABY-PXNSSMCTSA-N 2 0 343.515 3.227 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CC(C)(C)c3ccccc3)CC2)CC1 ZINC000371870716 458103332 /nfs/dbraw/zinc/10/33/32/458103332.db2.gz SIBUWCSMKPPPJL-UHFFFAOYSA-N 2 0 343.559 3.314 20 0 EGADRP CCCc1nc(C)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000428249227 458107072 /nfs/dbraw/zinc/10/70/72/458107072.db2.gz XELMQBSNFDWNPE-IYBDPMFKSA-N 2 0 349.519 3.257 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435371396 458122749 /nfs/dbraw/zinc/12/27/49/458122749.db2.gz MRIIVZCCEUNAEG-CRAIPNDOSA-N 2 0 325.456 3.316 20 0 EGADRP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2)cs1 ZINC000435391782 458135591 /nfs/dbraw/zinc/13/55/91/458135591.db2.gz UGBXKYHTKQBDDO-ZYSHUDEJSA-N 2 0 343.496 3.200 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362389564 458145912 /nfs/dbraw/zinc/14/59/12/458145912.db2.gz AATWKXOKOANKBE-INIZCTEOSA-N 2 0 335.467 3.126 20 0 EGADRP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435438617 458147863 /nfs/dbraw/zinc/14/78/63/458147863.db2.gz QREYGJNYQNDYLY-LJQANCHMSA-N 2 0 325.456 3.235 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412307421 458162270 /nfs/dbraw/zinc/16/22/70/458162270.db2.gz HMVPVJPCPMPDSM-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP [NH3+][C@H]1CC[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000435723288 458190057 /nfs/dbraw/zinc/19/00/57/458190057.db2.gz NUHGSBASDKJOFV-IRXDYDNUSA-N 2 0 326.444 3.317 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C[C@H](C)O1 ZINC000436246543 458275219 /nfs/dbraw/zinc/27/52/19/458275219.db2.gz ZWHCXPZAYMDMET-GJZGRUSLSA-N 2 0 348.516 3.117 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC000447561282 458311835 /nfs/dbraw/zinc/31/18/35/458311835.db2.gz HHUSSULXCXMOKE-SFTDATJTSA-N 2 0 329.532 3.488 20 0 EGADRP CCCCC[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369726078 458326810 /nfs/dbraw/zinc/32/68/10/458326810.db2.gz CYDWBEFLQPJKAZ-HKUYNNGSSA-N 2 0 337.552 3.220 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](CNCc3cnc(C4CC4)nc3)C2)cc1 ZINC000459403076 458359445 /nfs/dbraw/zinc/35/94/45/458359445.db2.gz KNIYILWFYFAREP-SFHVURJKSA-N 2 0 336.483 3.008 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCCC2 ZINC000430235975 458426831 /nfs/dbraw/zinc/42/68/31/458426831.db2.gz GBKOXVLQRLPXEU-QHAWAJNXSA-N 2 0 328.500 3.249 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423436747 458432213 /nfs/dbraw/zinc/43/22/13/458432213.db2.gz UAZMGLPAXDITTI-QZTJIDSGSA-N 2 0 331.504 3.093 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423434272 458432637 /nfs/dbraw/zinc/43/26/37/458432637.db2.gz KJNUMHQGHRIFKF-YESZJQIVSA-N 2 0 335.289 3.414 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000423449004 458434519 /nfs/dbraw/zinc/43/45/19/458434519.db2.gz VTIHRCAVJVZALI-SXLOBPIMSA-N 2 0 325.431 3.288 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423455879 458435507 /nfs/dbraw/zinc/43/55/07/458435507.db2.gz FVKYCTWARRGBKM-MVMSXQIQSA-N 2 0 332.463 3.399 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423480932 458440103 /nfs/dbraw/zinc/44/01/03/458440103.db2.gz NSXJDEHAMLOFSZ-DLBZAZTESA-N 2 0 332.879 3.285 20 0 EGADRP CC[C@@H]([NH3+])CN[C@H](CCCOC)c1ccc(Br)cc1 ZINC000423484736 458441028 /nfs/dbraw/zinc/44/10/28/458441028.db2.gz YWOHUBILUAIZCV-HUUCEWRRSA-N 2 0 329.282 3.244 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000423488858 458442145 /nfs/dbraw/zinc/44/21/45/458442145.db2.gz FDXNFOCRRDBYNO-LALPHHSUSA-N 2 0 339.277 3.380 20 0 EGADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1-n1ccnn1 ZINC000423504790 458444698 /nfs/dbraw/zinc/44/46/98/458444698.db2.gz HCTTXMGOVRKPTL-VQIMIIECSA-N 2 0 335.455 3.398 20 0 EGADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(I)cc1 ZINC000423520225 458450302 /nfs/dbraw/zinc/45/03/02/458450302.db2.gz DXUMESNKWNHINY-LLVKDONJSA-N 2 0 344.240 3.084 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000423536993 458454764 /nfs/dbraw/zinc/45/47/64/458454764.db2.gz BNRHVSMNKDHKEU-KMANFZQXSA-N 2 0 342.462 3.359 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423541363 458455029 /nfs/dbraw/zinc/45/50/29/458455029.db2.gz KQWQNMBTZRELFJ-VDZJLULYSA-N 2 0 347.934 3.282 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NCCC[NH2+]C3CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423556098 458457165 /nfs/dbraw/zinc/45/71/65/458457165.db2.gz MKLHEHNYBKEYKJ-QHAWAJNXSA-N 2 0 327.516 3.161 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(OC(F)F)c1 ZINC000459723119 458457281 /nfs/dbraw/zinc/45/72/81/458457281.db2.gz CPCBZVBHPUDEBE-ZDUSSCGKSA-N 2 0 328.403 3.118 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000459721841 458457386 /nfs/dbraw/zinc/45/73/86/458457386.db2.gz BDYDBPFUSWSTFQ-ROUUACIJSA-N 2 0 331.504 3.342 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000459725045 458458228 /nfs/dbraw/zinc/45/82/28/458458228.db2.gz FNVHQJIRIIZNQJ-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000430546739 458458773 /nfs/dbraw/zinc/45/87/73/458458773.db2.gz STBKNTVMKMSWHP-HXUWFJFHSA-N 2 0 345.531 3.212 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000459729364 458459323 /nfs/dbraw/zinc/45/93/23/458459323.db2.gz JDOXAOHRRTYUGQ-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]CC)CC1)c1ccccc1 ZINC000430566171 458462003 /nfs/dbraw/zinc/46/20/03/458462003.db2.gz BSYIQHFQYIQRAP-XLIONFOSSA-N 2 0 345.531 3.354 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000459744985 458466132 /nfs/dbraw/zinc/46/61/32/458466132.db2.gz YIQDVOWUSQYGFJ-GOSISDBHSA-N 2 0 339.483 3.482 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430651768 458475845 /nfs/dbraw/zinc/47/58/45/458475845.db2.gz MCTVVNOHLLHDKM-AWEZNQCLSA-N 2 0 330.394 3.406 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000459800221 458482380 /nfs/dbraw/zinc/48/23/80/458482380.db2.gz ZIHIJZUGCAGNQW-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423778691 458482810 /nfs/dbraw/zinc/48/28/10/458482810.db2.gz HOOVJIOZSVQHSF-SFHVURJKSA-N 2 0 333.520 3.293 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000430772804 458490962 /nfs/dbraw/zinc/49/09/62/458490962.db2.gz NKEYARGRIULWLC-GTAWCEEGSA-N 2 0 345.531 3.339 20 0 EGADRP C[C@@H]1CN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430944913 458508677 /nfs/dbraw/zinc/50/86/77/458508677.db2.gz OPKHRKBHWGMGJI-LZQZEXGQSA-N 2 0 348.450 3.495 20 0 EGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430943756 458508720 /nfs/dbraw/zinc/50/87/20/458508720.db2.gz QLNCRSNGNIPJRG-LSDHHAIUSA-N 2 0 343.471 3.011 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000430944232 458508830 /nfs/dbraw/zinc/50/88/30/458508830.db2.gz LJKYTLWGMZBVAC-OAHLLOKOSA-N 2 0 325.456 3.098 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430946688 458509188 /nfs/dbraw/zinc/50/91/88/458509188.db2.gz BMTPFQWMLZQQQJ-LSDHHAIUSA-N 2 0 331.504 3.198 20 0 EGADRP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075718 458524215 /nfs/dbraw/zinc/52/42/15/458524215.db2.gz GLGNORBWJWWIGY-HOTGVXAUSA-N 2 0 328.460 3.422 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@H]2CCOC2)CC1 ZINC000438193783 458547257 /nfs/dbraw/zinc/54/72/57/458547257.db2.gz XLQMOGZTRIYILU-IRXDYDNUSA-N 2 0 349.494 3.045 20 0 EGADRP C[C@@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)C(C)(C)C[NH+](C)C ZINC000424142484 458569544 /nfs/dbraw/zinc/56/95/44/458569544.db2.gz IGOGJRYZCVDWAD-WBVHZDCISA-N 2 0 325.541 3.157 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000424239904 458591041 /nfs/dbraw/zinc/59/10/41/458591041.db2.gz MOYWNTYNVSVUII-FQEVSTJZSA-N 2 0 337.467 3.447 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438544443 458594785 /nfs/dbraw/zinc/59/47/85/458594785.db2.gz IMYVKKJDGDKSHJ-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438546582 458595511 /nfs/dbraw/zinc/59/55/11/458595511.db2.gz PVYRVCCLEUVSIY-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424286073 458603964 /nfs/dbraw/zinc/60/39/64/458603964.db2.gz GWUGIWYFVZYDAF-AWEZNQCLSA-N 2 0 335.879 3.051 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccn(-c3ccc(F)cc3F)n1)CC[NH2+]CC2 ZINC000424291270 458605368 /nfs/dbraw/zinc/60/53/68/458605368.db2.gz NIPKUVBABWVLSU-AWEZNQCLSA-N 2 0 346.425 3.115 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000424340226 458620493 /nfs/dbraw/zinc/62/04/93/458620493.db2.gz XJJKZBPGUCAHES-CHWSQXEVSA-N 2 0 347.684 3.341 20 0 EGADRP COc1ccc(OC(F)F)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424386465 458631694 /nfs/dbraw/zinc/63/16/94/458631694.db2.gz XCJNWUNBAAIXAQ-ZDUSSCGKSA-N 2 0 340.414 3.261 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000424429117 458641145 /nfs/dbraw/zinc/64/11/45/458641145.db2.gz WACYMSMNKHMOSI-GOSISDBHSA-N 2 0 332.492 3.086 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000424440302 458644894 /nfs/dbraw/zinc/64/48/94/458644894.db2.gz UHASWGGMKUVBLB-MRXNPFEDSA-N 2 0 340.471 3.096 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470773395 458649318 /nfs/dbraw/zinc/64/93/18/458649318.db2.gz NVRJVQUCIKDERH-UGKGYDQZSA-N 2 0 340.511 3.407 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@@H]3CCC[C@@H]([NH3+])C3)CC2)c(OC)c1 ZINC000530213708 458718134 /nfs/dbraw/zinc/71/81/34/458718134.db2.gz VKVUAERALDEIBL-HZPDHXFCSA-N 2 0 348.487 3.162 20 0 EGADRP Cc1ccccc1[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000494878203 458760466 /nfs/dbraw/zinc/76/04/66/458760466.db2.gz MVUYWGHMPXTZAU-OAQYLSRUSA-N 2 0 329.532 3.453 20 0 EGADRP CC/C=C/CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000466220433 458887233 /nfs/dbraw/zinc/88/72/33/458887233.db2.gz VCLWMRNBEQAYNW-AATRIKPKSA-N 2 0 331.504 3.105 20 0 EGADRP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000474632824 458894613 /nfs/dbraw/zinc/89/46/13/458894613.db2.gz RHRNMCDICDUKRL-HKUYNNGSSA-N 2 0 330.520 3.138 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccc(F)cc1 ZINC000441258047 458907381 /nfs/dbraw/zinc/90/73/81/458907381.db2.gz SNOKXVANQXIBFQ-BPQIPLTHSA-N 2 0 338.492 3.101 20 0 EGADRP Cc1cc(C)cc(OCCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441268423 458908392 /nfs/dbraw/zinc/90/83/92/458908392.db2.gz XQIVOHIIYMIUJV-SESVDKBCSA-N 2 0 346.515 3.256 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(C)CC3)cc2)CC1 ZINC000519250379 458928599 /nfs/dbraw/zinc/92/85/99/458928599.db2.gz UUVMVXKPJHAIJU-UHFFFAOYSA-N 2 0 329.532 3.492 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000566433742 458931904 /nfs/dbraw/zinc/93/19/04/458931904.db2.gz VMIVDJKBIXOFLX-PXNSSMCTSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000531704591 458964176 /nfs/dbraw/zinc/96/41/76/458964176.db2.gz NZCNKTGWMXQDRX-SFHVURJKSA-N 2 0 334.504 3.105 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000476128178 458981700 /nfs/dbraw/zinc/98/17/00/458981700.db2.gz BSZWGEJXOXBXNS-RCCFBDPRSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476975110 459023901 /nfs/dbraw/zinc/02/39/01/459023901.db2.gz QVBBMOHOJRRDOM-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000556916227 459032833 /nfs/dbraw/zinc/03/28/33/459032833.db2.gz QIIPHKJDKLYCBO-QFIPXVFZSA-N 2 0 343.559 3.485 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000567029113 459037361 /nfs/dbraw/zinc/03/73/61/459037361.db2.gz BTJVXNMIFGZNBX-SJORKVTESA-N 2 0 335.517 3.129 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000577482192 459039663 /nfs/dbraw/zinc/03/96/63/459039663.db2.gz JVZZISXHDWCUQY-DLBZAZTESA-N 2 0 334.533 3.303 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000532216281 459048418 /nfs/dbraw/zinc/04/84/18/459048418.db2.gz NDTNYSXZDLUAFE-TZIWHRDSSA-N 2 0 330.516 3.346 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442890918 459057014 /nfs/dbraw/zinc/05/70/14/459057014.db2.gz PNOFAKUVIXGDMN-INIZCTEOSA-N 2 0 335.561 3.475 20 0 EGADRP C[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000477931105 459067568 /nfs/dbraw/zinc/06/75/68/459067568.db2.gz YIBZZWRMZOITNH-ICSRJNTNSA-N 2 0 329.532 3.361 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000443055264 459079878 /nfs/dbraw/zinc/07/98/78/459079878.db2.gz BADNQFBPBMPYJS-UWJYYQICSA-N 2 0 343.515 3.095 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CS1 ZINC000567302532 459082337 /nfs/dbraw/zinc/08/23/37/459082337.db2.gz PEAYWHCVOXEDSA-AABGKKOBSA-N 2 0 347.572 3.095 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000443065678 459083352 /nfs/dbraw/zinc/08/33/52/459083352.db2.gz CLKCCNYTVGCOIW-YLJYHZDGSA-N 2 0 337.467 3.427 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000532449808 459090571 /nfs/dbraw/zinc/09/05/71/459090571.db2.gz KXFIBBWDEUOROX-LEWJYISDSA-N 2 0 329.532 3.389 20 0 EGADRP CC[C@@H](C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000532499180 459100877 /nfs/dbraw/zinc/10/08/77/459100877.db2.gz RNIOPYRNQAFDBS-WMZOPIPTSA-N 2 0 333.520 3.352 20 0 EGADRP C[C@H](C[NH2+][C@H](C)C1(c2ccccc2)CCCC1)CN1CC[NH+](C)CC1 ZINC000567423916 459102959 /nfs/dbraw/zinc/10/29/59/459102959.db2.gz IHDBXCXTEPZVTL-WOJBJXKFSA-N 2 0 343.559 3.360 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000479066048 459120025 /nfs/dbraw/zinc/12/00/25/459120025.db2.gz VTGCGUARTQRDFW-SJORKVTESA-N 2 0 337.939 3.449 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000558167978 459136103 /nfs/dbraw/zinc/13/61/03/459136103.db2.gz ZRKUCPZHFCOVCA-KRWDZBQOSA-N 2 0 331.504 3.065 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496288938 459136742 /nfs/dbraw/zinc/13/67/42/459136742.db2.gz CAJGLIBQNYUVBI-IBGZPJMESA-N 2 0 339.524 3.098 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)cc2c(C)c1 ZINC000479440358 459140636 /nfs/dbraw/zinc/14/06/36/459140636.db2.gz RYFYCYGZNBZWEQ-UHFFFAOYSA-N 2 0 342.531 3.290 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)cc2c(C)c1 ZINC000479557266 459149154 /nfs/dbraw/zinc/14/91/54/459149154.db2.gz KQEAUUDPTZPLDY-OAQYLSRUSA-N 2 0 342.531 3.146 20 0 EGADRP CCOC(=O)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558397045 459152296 /nfs/dbraw/zinc/15/22/96/459152296.db2.gz LKIRWJAPKUXZTI-INIZCTEOSA-N 2 0 338.517 3.154 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000578232125 459167385 /nfs/dbraw/zinc/16/73/85/459167385.db2.gz IOAGPBWXDMMJOS-LPHOPBHVSA-N 2 0 344.499 3.145 20 0 EGADRP Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000578249871 459169858 /nfs/dbraw/zinc/16/98/58/459169858.db2.gz DNZCLVCIHLVXIV-DZGCQCFKSA-N 2 0 349.316 3.380 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558619483 459181196 /nfs/dbraw/zinc/18/11/96/459181196.db2.gz UEDHGZYBGDTDQV-SXLOBPIMSA-N 2 0 328.500 3.446 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000533077829 459184681 /nfs/dbraw/zinc/18/46/81/459184681.db2.gz LWMUEMULIZUNPJ-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP c1ccc(N2CC[NH+](CCCNc3cc[nH+]c4ccccc34)CC2)cc1 ZINC000521952750 459196658 /nfs/dbraw/zinc/19/66/58/459196658.db2.gz AYAULYJWUYXRHO-UHFFFAOYSA-N 2 0 346.478 3.281 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@@H](C)c1cncnc1C)c1ccccc1 ZINC000578522366 459215640 /nfs/dbraw/zinc/21/56/40/459215640.db2.gz JLVMALPTVGLNLK-PXNSSMCTSA-N 2 0 342.487 3.145 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000568078291 459223219 /nfs/dbraw/zinc/22/32/19/459223219.db2.gz MGTPAOMGINUTGT-ZFWWWQNUSA-N 2 0 346.437 3.175 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC1 ZINC000595063441 459232771 /nfs/dbraw/zinc/23/27/71/459232771.db2.gz AXKSUIGMYHFVSZ-UZTVYRAPSA-N 2 0 340.577 3.309 20 0 EGADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000496547264 459234240 /nfs/dbraw/zinc/23/42/40/459234240.db2.gz IRRPQMMGBJGVFX-OKZBNKHCSA-N 2 0 331.460 3.265 20 0 EGADRP CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000533431966 459234377 /nfs/dbraw/zinc/23/43/77/459234377.db2.gz SRCHIJADALTYQP-GFCCVEGCSA-N 2 0 344.286 3.206 20 0 EGADRP C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000481153637 459236366 /nfs/dbraw/zinc/23/63/66/459236366.db2.gz JOCKFZAWVBIYEE-GUDVDZBRSA-N 2 0 347.547 3.398 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000559280166 459249597 /nfs/dbraw/zinc/24/95/97/459249597.db2.gz CVRNLQQSPNLRPF-FQEVSTJZSA-N 2 0 345.531 3.278 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@]1(C)CCCO1 ZINC000559787335 459277098 /nfs/dbraw/zinc/27/70/98/459277098.db2.gz NJDCNIRMAZADSJ-RXVVDRJESA-N 2 0 346.515 3.251 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496677885 459283887 /nfs/dbraw/zinc/28/38/87/459283887.db2.gz NPTPNVXOEHTHIT-IKGGRYGDSA-N 2 0 341.540 3.390 20 0 EGADRP Cn1ccnc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000534109134 459288984 /nfs/dbraw/zinc/28/89/84/459288984.db2.gz AWGSYSCQSWSIHB-UHFFFAOYSA-N 2 0 332.451 3.409 20 0 EGADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482237568 459298140 /nfs/dbraw/zinc/29/81/40/459298140.db2.gz FIWOMAWVHMUJKS-WOJBJXKFSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496719213 459300058 /nfs/dbraw/zinc/30/00/58/459300058.db2.gz UDPHLCYZIULVMS-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000582117298 459310565 /nfs/dbraw/zinc/31/05/65/459310565.db2.gz LCULNXAZGULDJE-ICSRJNTNSA-N 2 0 348.531 3.145 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000482481334 459311050 /nfs/dbraw/zinc/31/10/50/459311050.db2.gz OVFYTZNRMUPBDE-QFBILLFUSA-N 2 0 345.531 3.180 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483157436 459346412 /nfs/dbraw/zinc/34/64/12/459346412.db2.gz RUGTZASFBFMPOT-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC000483174783 459348562 /nfs/dbraw/zinc/34/85/62/459348562.db2.gz KROHNJBYQKSVFP-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000496877044 459355240 /nfs/dbraw/zinc/35/52/40/459355240.db2.gz SVGNIHHYCSOTPA-OWCLPIDISA-N 2 0 339.524 3.285 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000496876872 459355430 /nfs/dbraw/zinc/35/54/30/459355430.db2.gz SNMALCSEKUKAKZ-HNNXBMFYSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000496877042 459355703 /nfs/dbraw/zinc/35/57/03/459355703.db2.gz SVGNIHHYCSOTPA-BZUAXINKSA-N 2 0 339.524 3.285 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000582430861 459363818 /nfs/dbraw/zinc/36/38/18/459363818.db2.gz JYQGLDSNKLTISR-HNNXBMFYSA-N 2 0 326.444 3.052 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000497025953 459410766 /nfs/dbraw/zinc/41/07/66/459410766.db2.gz MPVDBZCIFZWKTE-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)CC1 ZINC000525121178 459416903 /nfs/dbraw/zinc/41/69/03/459416903.db2.gz XJVPKEFAWYMICL-HXUWFJFHSA-N 2 0 343.515 3.041 20 0 EGADRP [NH3+]CCC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000582852135 459438422 /nfs/dbraw/zinc/43/84/22/459438422.db2.gz VGJBTRQGJDKWBZ-UHFFFAOYSA-N 2 0 345.256 3.028 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000541348894 459448350 /nfs/dbraw/zinc/44/83/50/459448350.db2.gz JHFWTIWBCOATBW-ICSRJNTNSA-N 2 0 347.934 3.428 20 0 EGADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000561532088 459462716 /nfs/dbraw/zinc/46/27/16/459462716.db2.gz MVUAZBJUILIHFU-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000497180429 459475571 /nfs/dbraw/zinc/47/55/71/459475571.db2.gz CNSZWXWSSXVNND-SOLBZPMBSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000569592378 459478768 /nfs/dbraw/zinc/47/87/68/459478768.db2.gz IXRSPLCEEADWCI-YQQAZPJKSA-N 3 0 330.520 3.152 20 0 EGADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000583230840 459504934 /nfs/dbraw/zinc/50/49/34/459504934.db2.gz CPOGUXHKRSYHBI-VXKWHMMOSA-N 2 0 335.495 3.468 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000562039370 459506406 /nfs/dbraw/zinc/50/64/06/459506406.db2.gz GTJIKUCWWLDKAO-BARDWOONSA-N 2 0 336.442 3.442 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1)C(C)C ZINC000583373056 459527228 /nfs/dbraw/zinc/52/72/28/459527228.db2.gz WMQFVCMHOACFOU-VQTJNVASSA-N 2 0 343.515 3.226 20 0 EGADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000526114460 459549756 /nfs/dbraw/zinc/54/97/56/459549756.db2.gz KSZNVBWXGKZFOO-INIZCTEOSA-N 2 0 336.907 3.488 20 0 EGADRP CC(C)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000527313507 459625977 /nfs/dbraw/zinc/62/59/77/459625977.db2.gz XQTDJSKYXPBIOU-UHFFFAOYSA-N 2 0 339.911 3.029 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000543416818 459656095 /nfs/dbraw/zinc/65/60/95/459656095.db2.gz SPBVGGUNICPNJM-ANULTFPQSA-N 2 0 328.500 3.303 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000543597578 459673856 /nfs/dbraw/zinc/67/38/56/459673856.db2.gz FFKQBHCUQQGNJH-KRWDZBQOSA-N 2 0 343.515 3.282 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527691993 459702961 /nfs/dbraw/zinc/70/29/61/459702961.db2.gz QWEGELOMAVNMJE-UHFFFAOYSA-N 2 0 346.700 3.319 20 0 EGADRP O[C@H](C[NH2+]C[C@H](c1ccccc1)N1CCCC1)Cc1ccc(F)cc1 ZINC000573774941 459731505 /nfs/dbraw/zinc/73/15/05/459731505.db2.gz QZBGJHRWNQRPLX-LEWJYISDSA-N 2 0 342.458 3.156 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000584463647 459744484 /nfs/dbraw/zinc/74/44/84/459744484.db2.gz XMWVAZFTXAMBOC-OAHLLOKOSA-N 2 0 341.902 3.027 20 0 EGADRP CCCNC(=O)CCC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000573860104 459747178 /nfs/dbraw/zinc/74/71/78/459747178.db2.gz MRBNPVZAYNKVAU-IBGZPJMESA-N 2 0 345.531 3.183 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000584584816 459772246 /nfs/dbraw/zinc/77/22/46/459772246.db2.gz WDZBJPBUUYTNQI-OAHLLOKOSA-N 2 0 339.911 3.055 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000566118998 459809759 /nfs/dbraw/zinc/80/97/59/459809759.db2.gz MXODKUOYEVMGEQ-PKOBYXMFSA-N 2 0 348.531 3.045 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000566226416 459825509 /nfs/dbraw/zinc/82/55/09/459825509.db2.gz GGZHCPZMOSEYAZ-IAGOWNOFSA-N 2 0 346.519 3.208 20 0 EGADRP CCCN1CCC[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000574912603 459892668 /nfs/dbraw/zinc/89/26/68/459892668.db2.gz OSKNGGVIEAKNTK-JKSUJKDBSA-N 2 0 344.421 3.073 20 0 EGADRP O=[S@](CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000609193112 459922088 /nfs/dbraw/zinc/92/20/88/459922088.db2.gz HNRIKLGLMPZNMO-XMMPIXPASA-N 2 0 348.556 3.382 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000575106095 459926277 /nfs/dbraw/zinc/92/62/77/459926277.db2.gz UNYIFJMIQDXCQJ-TZMCWYRMSA-N 2 0 343.393 3.154 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])ccc2o1 ZINC000593729025 459965972 /nfs/dbraw/zinc/96/59/72/459965972.db2.gz CRXHNKJXZBCRRO-CZUORRHYSA-N 2 0 330.428 3.169 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000575368292 459966256 /nfs/dbraw/zinc/96/62/56/459966256.db2.gz PIQFQDHSUVEYSQ-RHSMWYFYSA-N 2 0 334.533 3.166 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CCCCC2)[C@H](C)C1 ZINC000575624331 459988935 /nfs/dbraw/zinc/98/89/35/459988935.db2.gz AJXNAURQEXJLBT-RTBURBONSA-N 2 0 340.552 3.310 20 0 EGADRP C[C@H](C[S@](C)=O)[N@H+](C)[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602616593 460023926 /nfs/dbraw/zinc/02/39/26/460023926.db2.gz WDFPFEFIJOBBTK-ZMHGRXQUSA-N 2 0 334.529 3.053 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000576169239 460083546 /nfs/dbraw/zinc/08/35/46/460083546.db2.gz CIWLTAODGVQEHF-NHCUHLMSSA-N 2 0 326.484 3.263 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000599308372 460224850 /nfs/dbraw/zinc/22/48/50/460224850.db2.gz HNVCGDSKYIIOOI-HXUWFJFHSA-N 2 0 343.515 3.019 20 0 EGADRP COC(=O)CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000599317577 460228305 /nfs/dbraw/zinc/22/83/05/460228305.db2.gz CMIXSSPFHOAJOQ-UXHICEINSA-N 2 0 344.499 3.316 20 0 EGADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000603321513 460284455 /nfs/dbraw/zinc/28/44/55/460284455.db2.gz KLUOBINGFLZPNS-KRWDZBQOSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622753217 460305084 /nfs/dbraw/zinc/30/50/84/460305084.db2.gz TZWGVIQUIHLZJC-XLIONFOSSA-N 2 0 347.547 3.307 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000619231195 460306716 /nfs/dbraw/zinc/30/67/16/460306716.db2.gz BLGDXTZENVOHLZ-UHFFFAOYSA-N 2 0 329.532 3.379 20 0 EGADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2cccc(C(F)(F)F)c2)CCO1 ZINC000628352650 460378782 /nfs/dbraw/zinc/37/87/82/460378782.db2.gz POHFSKZNNGNLIN-QGZVFWFLSA-N 2 0 344.421 3.291 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000623067993 460402194 /nfs/dbraw/zinc/40/21/94/460402194.db2.gz QPPDCAOLWVTPRE-UHFFFAOYSA-N 2 0 340.471 3.131 20 0 EGADRP Cc1cc(C)c([C@@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000604389367 460418324 /nfs/dbraw/zinc/41/83/24/460418324.db2.gz ZKEDRZZDTZRQOV-UXHICEINSA-N 2 0 329.532 3.385 20 0 EGADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CCc2cnccn2)CC1 ZINC000631532046 460428510 /nfs/dbraw/zinc/42/85/10/460428510.db2.gz USFGHUCGEJXDRT-UHFFFAOYSA-N 2 0 347.466 3.006 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631576854 460452082 /nfs/dbraw/zinc/45/20/82/460452082.db2.gz ZWVKHCAQHBOWME-ANULTFPQSA-N 2 0 340.511 3.098 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCCc3ncccc32)cc1 ZINC000631577827 460453510 /nfs/dbraw/zinc/45/35/10/460453510.db2.gz LTYLRMXHNILRDO-NRFANRHFSA-N 2 0 339.483 3.232 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000634688452 460477988 /nfs/dbraw/zinc/47/79/88/460477988.db2.gz SSNLOVUGYSQKHO-NSISKUIASA-N 2 0 325.456 3.096 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000634733656 460497726 /nfs/dbraw/zinc/49/77/26/460497726.db2.gz KRVIYJRWJUESQX-HXUWFJFHSA-N 2 0 329.532 3.061 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629539982 460801214 /nfs/dbraw/zinc/80/12/14/460801214.db2.gz SVRWGMKEFVQQBN-BJLQDIEVSA-N 2 0 331.504 3.232 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000629541832 460801252 /nfs/dbraw/zinc/80/12/52/460801252.db2.gz WWZQGAHBQPWREY-NQIIRXRSSA-N 2 0 345.531 3.486 20 0 EGADRP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000629581680 460814069 /nfs/dbraw/zinc/81/40/69/460814069.db2.gz DLLQFVDIRZPNHF-LJQANCHMSA-N 2 0 331.504 3.244 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000607281702 460819925 /nfs/dbraw/zinc/81/99/25/460819925.db2.gz YDEMDRRREZOROD-ZACQAIPSSA-N 2 0 331.504 3.105 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2cccc([C@@H](CO)[NH2+]C)c2)cc1 ZINC000629705749 460878565 /nfs/dbraw/zinc/87/85/65/460878565.db2.gz PGCLWCLLBOUZHU-OAQYLSRUSA-N 2 0 342.483 3.327 20 0 EGADRP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000630073129 461014039 /nfs/dbraw/zinc/01/40/39/461014039.db2.gz RIAOFOMWUGNLMI-IBGZPJMESA-N 2 0 327.516 3.463 20 0 EGADRP Cc1ccc([C@@H](C)C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000628210417 461049716 /nfs/dbraw/zinc/04/97/16/461049716.db2.gz WCFNZDKZAJUDTP-SFHVURJKSA-N 2 0 338.499 3.035 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)Nc2ccn3cc(C)nc3c2)CC1 ZINC000668151854 461137742 /nfs/dbraw/zinc/13/77/42/461137742.db2.gz QEOJGYFVPNWPEP-UHFFFAOYSA-N 2 0 343.475 3.228 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000662260518 461148662 /nfs/dbraw/zinc/14/86/62/461148662.db2.gz OGMGKZQFMGLTCW-LJQANCHMSA-N 2 0 341.543 3.276 20 0 EGADRP C[C@@H]1CCC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)[C@H]1CC[NH3+] ZINC000652354016 461149067 /nfs/dbraw/zinc/14/90/67/461149067.db2.gz KMGLHBMHXGFBOI-AHRSYUTCSA-N 2 0 343.515 3.020 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)no2)C1 ZINC000652361247 461154940 /nfs/dbraw/zinc/15/49/40/461154940.db2.gz AFVFRZXBRMJKEO-NSISKUIASA-N 2 0 341.455 3.202 20 0 EGADRP COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363465 461158025 /nfs/dbraw/zinc/15/80/25/461158025.db2.gz FMCRCAZMRHPOEI-NUJGCVRESA-N 2 0 338.879 3.209 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCSc2cccc(Cl)c2)CC12CCOCC2 ZINC000662272741 461161126 /nfs/dbraw/zinc/16/11/26/461161126.db2.gz IBZMQHJUDJCOSG-AWEZNQCLSA-N 2 0 340.920 3.119 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000662283647 461165038 /nfs/dbraw/zinc/16/50/38/461165038.db2.gz CIFWRAKTSXQCGC-HDMKZQKVSA-N 2 0 345.512 3.057 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290137 461168295 /nfs/dbraw/zinc/16/82/95/461168295.db2.gz KZHQKGZTPPCJAU-ZBFHGGJFSA-N 2 0 349.906 3.379 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000662294652 461172897 /nfs/dbraw/zinc/17/28/97/461172897.db2.gz DIJKBLQKZKPHQO-NVXWUHKLSA-N 2 0 347.478 3.173 20 0 EGADRP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662295120 461173250 /nfs/dbraw/zinc/17/32/50/461173250.db2.gz FJMWVKLHKFKWRZ-MRXNPFEDSA-N 2 0 344.434 3.087 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297497 461175496 /nfs/dbraw/zinc/17/54/96/461175496.db2.gz QVBBKFMHRNATQM-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](c3nccn3C)C3CC3)C2)c1 ZINC000638008047 461192805 /nfs/dbraw/zinc/19/28/05/461192805.db2.gz WDWONSSTQGGBCQ-QAPCUYQASA-N 2 0 325.460 3.009 20 0 EGADRP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](c3nccn3C)C3CC3)C2)c1 ZINC000638008043 461192885 /nfs/dbraw/zinc/19/28/85/461192885.db2.gz WDWONSSTQGGBCQ-CRAIPNDOSA-N 2 0 325.460 3.009 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000638101087 461239465 /nfs/dbraw/zinc/23/94/65/461239465.db2.gz SQPGFHJBFLSQLG-FQEVSTJZSA-N 2 0 345.531 3.121 20 0 EGADRP CCCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000646421051 461249943 /nfs/dbraw/zinc/24/99/43/461249943.db2.gz QCDQIFQSQMJFNN-MJGOQNOKSA-N 2 0 344.503 3.184 20 0 EGADRP Cn1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc2ccccc21 ZINC000638126575 461258548 /nfs/dbraw/zinc/25/85/48/461258548.db2.gz XKQAUFCXUVRRKX-UHFFFAOYSA-N 2 0 341.499 3.255 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000668511256 461309409 /nfs/dbraw/zinc/30/94/09/461309409.db2.gz DXZXWJJKMBOHML-MOPGFXCFSA-N 2 0 333.545 3.413 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662593756 461310329 /nfs/dbraw/zinc/31/03/29/461310329.db2.gz QFSMUOICTDLZOK-ROUUACIJSA-N 2 0 337.552 3.301 20 0 EGADRP CC(C)O[C@H](C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000638351848 461379718 /nfs/dbraw/zinc/37/97/18/461379718.db2.gz IHZAMOLMLCLEBL-LEWJYISDSA-N 2 0 347.547 3.014 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662825462 461383677 /nfs/dbraw/zinc/38/36/77/461383677.db2.gz HXXOSDHLQPAGBT-QGZVFWFLSA-N 2 0 347.547 3.151 20 0 EGADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000662829796 461386074 /nfs/dbraw/zinc/38/60/74/461386074.db2.gz HNSSJGZXDGGOKV-KRWDZBQOSA-N 2 0 347.528 3.201 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000641817944 461387358 /nfs/dbraw/zinc/38/73/58/461387358.db2.gz QFNKHBIVQJGZAP-UHFFFAOYSA-N 2 0 344.503 3.062 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CCOC1 ZINC000638362984 461388271 /nfs/dbraw/zinc/38/82/71/461388271.db2.gz HSHMGVCZWRSLCN-JRGCBEDISA-N 2 0 346.515 3.202 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000655729088 461396920 /nfs/dbraw/zinc/39/69/20/461396920.db2.gz DYRCINWBCYNGBX-UHFFFAOYSA-N 2 0 330.451 3.141 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CC2 ZINC000655733916 461400671 /nfs/dbraw/zinc/40/06/71/461400671.db2.gz VCBLZUVQUVUVHS-UFYCRDLUSA-N 2 0 328.500 3.258 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655748603 461414353 /nfs/dbraw/zinc/41/43/53/461414353.db2.gz DHOCIZOAWACFJI-FQEVSTJZSA-N 2 0 331.504 3.112 20 0 EGADRP [NH3+][C@@H](CCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)CC1CCCCC1 ZINC000663005550 461425150 /nfs/dbraw/zinc/42/51/50/461425150.db2.gz WFDGGYZQSJZGHE-UXHICEINSA-N 2 0 349.563 3.303 20 0 EGADRP c1ccc2c(c1)CC[C@H]2CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000659845396 461451051 /nfs/dbraw/zinc/45/10/51/461451051.db2.gz OAOCTBCXNQHSBD-FQEVSTJZSA-N 2 0 328.500 3.151 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647010565 461481471 /nfs/dbraw/zinc/48/14/71/461481471.db2.gz SUNYKRBPFQAUTI-MJGOQNOKSA-N 2 0 331.504 3.118 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000653105697 461503292 /nfs/dbraw/zinc/50/32/92/461503292.db2.gz GPHGLBGJFUTYET-SJORKVTESA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000653119652 461509661 /nfs/dbraw/zinc/50/96/61/461509661.db2.gz RPLBKQYHUOLAIM-IEBWSBKVSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000631062759 461515312 /nfs/dbraw/zinc/51/53/12/461515312.db2.gz AUKVJDVIMQPLRB-HPFMTEOYSA-N 2 0 329.532 3.098 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(=O)[nH]c3)c2)CC1 ZINC000631064080 461516552 /nfs/dbraw/zinc/51/65/52/461516552.db2.gz JHWRXRNRPWMMHR-UHFFFAOYSA-N 2 0 325.456 3.309 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000638694003 461540158 /nfs/dbraw/zinc/54/01/58/461540158.db2.gz YPLGWWOIBBCVJG-UHFFFAOYSA-N 2 0 326.868 3.266 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000631113770 461561543 /nfs/dbraw/zinc/56/15/43/461561543.db2.gz LKIMFFNOPWNIFO-HCZHMGAMSA-N 2 0 329.532 3.241 20 0 EGADRP CO[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000638837601 461608057 /nfs/dbraw/zinc/60/80/57/461608057.db2.gz VEYMKBCMAYNTTC-OAQYLSRUSA-N 2 0 339.483 3.145 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@]12CCCO2 ZINC000638850760 461616298 /nfs/dbraw/zinc/61/62/98/461616298.db2.gz SZXPWESDZKJXEO-PWRODBHTSA-N 2 0 344.499 3.099 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C12CCC2 ZINC000647344660 461648657 /nfs/dbraw/zinc/64/86/57/461648657.db2.gz WKKGPYJLRJFOCD-FUMNGEBKSA-N 2 0 328.500 3.269 20 0 EGADRP C[N@H+](Cc1cccc(C2CC2)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643293546 461671355 /nfs/dbraw/zinc/67/13/55/461671355.db2.gz RPOZBWBVGOSOKS-OAQYLSRUSA-N 2 0 327.516 3.164 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000637809467 461726727 /nfs/dbraw/zinc/72/67/27/461726727.db2.gz YZDXDLLDJVESJW-IBGZPJMESA-N 2 0 337.467 3.257 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462814 461735073 /nfs/dbraw/zinc/73/50/73/461735073.db2.gz LQQAWQHASLENKD-UCLAIMLFSA-N 2 0 345.437 3.092 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469322 461738420 /nfs/dbraw/zinc/73/84/20/461738420.db2.gz KBPDVNLLLFDUSC-CZUORRHYSA-N 2 0 325.294 3.359 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469387 461739572 /nfs/dbraw/zinc/73/95/72/461739572.db2.gz QUHGLPPTRGWMMM-GDBMZVCRSA-N 2 0 325.294 3.489 20 0 EGADRP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000647511768 461742167 /nfs/dbraw/zinc/74/21/67/461742167.db2.gz AYIUHBISYGHLNR-LEUOFYLZSA-N 2 0 332.488 3.432 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000643524178 461752167 /nfs/dbraw/zinc/75/21/67/461752167.db2.gz SRZTYBFKCRCYME-HBFSDRIKSA-N 2 0 325.456 3.234 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535775 461756021 /nfs/dbraw/zinc/75/60/21/461756021.db2.gz JAYMYJHMOGDCPT-VQTJNVASSA-N 2 0 337.467 3.106 20 0 EGADRP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536954 461757166 /nfs/dbraw/zinc/75/71/66/461757166.db2.gz XMECWHNZFFGIFW-CABCVRRESA-N 2 0 326.362 3.304 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1-c1ccccc1 ZINC000647543173 461757259 /nfs/dbraw/zinc/75/72/59/461757259.db2.gz IPSGUDOMTBFIJK-MOPGFXCFSA-N 2 0 338.499 3.392 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544361 461759228 /nfs/dbraw/zinc/75/92/28/461759228.db2.gz ZLHMLHZBXRBCSQ-RTBURBONSA-N 2 0 346.515 3.443 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543566 461759696 /nfs/dbraw/zinc/75/96/96/461759696.db2.gz PNRRBLKWXDGKAL-IAGOWNOFSA-N 2 0 332.488 3.224 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)O[C@H](C)C2 ZINC000647543678 461760305 /nfs/dbraw/zinc/76/03/05/461760305.db2.gz RBFBKBCUGMWSQA-IKGGRYGDSA-N 2 0 344.499 3.230 20 0 EGADRP COc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1OC1CCCC1 ZINC000647548708 461761547 /nfs/dbraw/zinc/76/15/47/461761547.db2.gz QRIYCPVAHKHMJN-CGTJXYLNSA-N 2 0 344.499 3.494 20 0 EGADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549928 461762688 /nfs/dbraw/zinc/76/26/88/461762688.db2.gz XZDKFZYQYCTWPZ-RRFJBIMHSA-N 2 0 328.378 3.105 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000647551224 461763891 /nfs/dbraw/zinc/76/38/91/461763891.db2.gz AXIBPUIYLYDERZ-ZKYQVNSYSA-N 2 0 327.241 3.066 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC000639162370 461775750 /nfs/dbraw/zinc/77/57/50/461775750.db2.gz NVAUOHXEDDAFPM-ONYGOOLBSA-N 2 0 330.472 3.248 20 0 EGADRP CO[C@@H]1C[C@@H](c2ncc[nH]2)N(c2cc(C)[nH+]c3ccc(F)cc32)C1 ZINC000643745238 461795217 /nfs/dbraw/zinc/79/52/17/461795217.db2.gz ZGSYKQZWHBPFKZ-DYVFJYSZSA-N 2 0 326.375 3.372 20 0 EGADRP Clc1ccccc1[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000647785696 461833290 /nfs/dbraw/zinc/83/32/90/461833290.db2.gz DBPOVYHGTPBETA-YZLZLFLDSA-N 2 0 347.934 3.455 20 0 EGADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647784615 461833706 /nfs/dbraw/zinc/83/37/06/461833706.db2.gz ZXYLCGUVLNLKNN-RCCFBDPRSA-N 2 0 329.488 3.149 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)n1 ZINC000647788324 461835388 /nfs/dbraw/zinc/83/53/88/461835388.db2.gz HXWJBSFQSGPMQW-HSALFYBXSA-N 2 0 338.499 3.009 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857818 461838865 /nfs/dbraw/zinc/83/88/65/461838865.db2.gz KLXDPOHQYZPNRQ-AAEUAGOBSA-N 2 0 329.257 3.251 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000647797935 461840495 /nfs/dbraw/zinc/84/04/95/461840495.db2.gz HSQJRXDZUHIZHQ-MWQQHZPXSA-N 2 0 328.435 3.050 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(=O)NCc1cccs1 ZINC000647802406 461843127 /nfs/dbraw/zinc/84/31/27/461843127.db2.gz KGZNQIYGZWHMGS-XLAORIBOSA-N 2 0 349.544 3.043 20 0 EGADRP CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647872228 461866118 /nfs/dbraw/zinc/86/61/18/461866118.db2.gz JISGVCLGPPXBSK-GFCCVEGCSA-N 2 0 344.286 3.253 20 0 EGADRP Clc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666952069 461885061 /nfs/dbraw/zinc/88/50/61/461885061.db2.gz FBOXGDILHRBTFS-ZDUSSCGKSA-N 2 0 329.669 3.334 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000656781949 461892880 /nfs/dbraw/zinc/89/28/80/461892880.db2.gz APRUBDIJBIQAID-MRXNPFEDSA-N 2 0 328.460 3.190 20 0 EGADRP CCOc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OC ZINC000656785988 461896202 /nfs/dbraw/zinc/89/62/02/461896202.db2.gz OYGBNXCMRDYPQO-GOSISDBHSA-N 2 0 332.488 3.306 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705705 461898304 /nfs/dbraw/zinc/89/83/04/461898304.db2.gz RUVPLCRLOSBMNF-CMKODMSKSA-N 2 0 332.488 3.194 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000650707443 461901681 /nfs/dbraw/zinc/90/16/81/461901681.db2.gz GKWGUFFICJNBLK-XNRPHZJLSA-N 2 0 349.475 3.154 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997129 461904050 /nfs/dbraw/zinc/90/40/50/461904050.db2.gz YCAQETBGOONRBB-LJQANCHMSA-N 2 0 329.532 3.409 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711738 461904934 /nfs/dbraw/zinc/90/49/34/461904934.db2.gz BWOPQQBNARMBRD-AUUYWEPGSA-N 2 0 330.451 3.269 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CCSc1ccc(F)cc1F)C2 ZINC000660664658 461912299 /nfs/dbraw/zinc/91/22/99/461912299.db2.gz RISYUQUBWAWQHA-QGZVFWFLSA-N 2 0 326.456 3.475 20 0 EGADRP c1ccc(C(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000647971871 461914269 /nfs/dbraw/zinc/91/42/69/461914269.db2.gz WTFOMESCMZVETL-RTWAWAEBSA-N 2 0 336.479 3.334 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000650723713 461915667 /nfs/dbraw/zinc/91/56/67/461915667.db2.gz SGDXEZUDPTVSGP-DJIMGWMZSA-N 2 0 326.843 3.340 20 0 EGADRP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975742 461916968 /nfs/dbraw/zinc/91/69/68/461916968.db2.gz FKCQFHMLOSCOSN-IAGOWNOFSA-N 2 0 340.471 3.257 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000647975917 461917166 /nfs/dbraw/zinc/91/71/66/461917166.db2.gz HOVTVRFSWXYFSP-CVEARBPZSA-N 2 0 349.906 3.380 20 0 EGADRP c1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cs1 ZINC000647976958 461918387 /nfs/dbraw/zinc/91/83/87/461918387.db2.gz WJHXPMHLIVCCTK-KBPBESRZSA-N 2 0 332.473 3.010 20 0 EGADRP FC(F)(F)c1ccccc1OCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647990422 461926265 /nfs/dbraw/zinc/92/62/65/461926265.db2.gz ZOSJQOVRVGYIEZ-HNNXBMFYSA-N 2 0 342.405 3.406 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650754409 461934565 /nfs/dbraw/zinc/93/45/65/461934565.db2.gz IIZYEWCUXSVRBS-LLVKDONJSA-N 2 0 337.464 3.089 20 0 EGADRP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000650763041 461942238 /nfs/dbraw/zinc/94/22/38/461942238.db2.gz PJYBEQLJGJSFHB-OAHLLOKOSA-N 2 0 327.394 3.457 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000650763736 461942452 /nfs/dbraw/zinc/94/24/52/461942452.db2.gz IIVUVTYICXOFKE-AWEZNQCLSA-N 2 0 330.451 3.360 20 0 EGADRP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000667119059 461958074 /nfs/dbraw/zinc/95/80/74/461958074.db2.gz HPRCBRQPIFZWQX-GOSISDBHSA-N 2 0 338.455 3.403 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000648047955 461958752 /nfs/dbraw/zinc/95/87/52/461958752.db2.gz VJWRVCCLEWNVPW-ICSRJNTNSA-N 2 0 332.488 3.018 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000644513468 461965142 /nfs/dbraw/zinc/96/51/42/461965142.db2.gz LKTQPFRNOKCWRQ-FQEVSTJZSA-N 2 0 342.483 3.042 20 0 EGADRP Cn1c2cc(F)ccc2nc1NCc1cccnc1N1CCCC1 ZINC000664196389 461977281 /nfs/dbraw/zinc/97/72/81/461977281.db2.gz WEMJJCIEOBYMFK-UHFFFAOYSA-N 2 0 325.391 3.320 20 0 EGADRP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCC2 ZINC000639543522 461979668 /nfs/dbraw/zinc/97/96/68/461979668.db2.gz IYFNXEWDGKGWDV-UWJYYQICSA-N 2 0 326.484 3.208 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)C(C)(C)C ZINC000644569865 461990338 /nfs/dbraw/zinc/99/03/38/461990338.db2.gz HVMYUWUHMCAQRP-IAGOWNOFSA-N 2 0 326.912 3.199 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000657296186 462024687 /nfs/dbraw/zinc/02/46/87/462024687.db2.gz CETXRYZJPBSHAR-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP c1cn(C2CCCC2)nc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683012 462055604 /nfs/dbraw/zinc/05/56/04/462055604.db2.gz QSGCVHXZSJKDKF-UHFFFAOYSA-N 2 0 325.460 3.106 20 0 EGADRP CCc1cccc2cc(C[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)oc21 ZINC000657360051 462070156 /nfs/dbraw/zinc/07/01/56/462070156.db2.gz VKBJACGFDVZRSU-SFHVURJKSA-N 2 0 341.499 3.253 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667502063 462116307 /nfs/dbraw/zinc/11/63/07/462116307.db2.gz SHLVXYSDMOBWJK-OAQYLSRUSA-N 2 0 346.515 3.408 20 0 EGADRP CCCn1nccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000657459693 462138226 /nfs/dbraw/zinc/13/82/26/462138226.db2.gz BXWAABBTBRBOOA-UHFFFAOYSA-N 2 0 342.487 3.056 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000667705534 462224158 /nfs/dbraw/zinc/22/41/58/462224158.db2.gz FXSOXHGSCSHNHV-QRFRQXIXSA-N 2 0 332.488 3.016 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000648754573 462262888 /nfs/dbraw/zinc/26/28/88/462262888.db2.gz PXATXFZYENCSCD-YLJYHZDGSA-N 2 0 343.515 3.019 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000667794345 462266458 /nfs/dbraw/zinc/26/64/58/462266458.db2.gz FIIQYQLBYAIUIA-KRWDZBQOSA-N 2 0 346.515 3.107 20 0 EGADRP c1ccc(CN2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000657812097 462280250 /nfs/dbraw/zinc/28/02/50/462280250.db2.gz KABYVZKNYIJYBS-UHFFFAOYSA-N 2 0 341.543 3.363 20 0 EGADRP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000667849899 462293016 /nfs/dbraw/zinc/29/30/16/462293016.db2.gz INHQSOQBBFIBDP-LIRRHRJNSA-N 2 0 338.455 3.103 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnnn2-c2ccccc2)c1 ZINC000651681469 462302370 /nfs/dbraw/zinc/30/23/70/462302370.db2.gz QEHRYWGPLDPTTQ-UHFFFAOYSA-N 2 0 349.482 3.399 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000651810333 462344178 /nfs/dbraw/zinc/34/41/78/462344178.db2.gz SXIPTLRWMVOENP-OAHLLOKOSA-N 2 0 336.451 3.007 20 0 EGADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000665264803 462375701 /nfs/dbraw/zinc/37/57/01/462375701.db2.gz IJEMKVBTSNYTNW-UHOFOFEASA-N 2 0 329.271 3.240 20 0 EGADRP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC[NH2+]2)cc1 ZINC000665268314 462377144 /nfs/dbraw/zinc/37/71/44/462377144.db2.gz MDZSZUUCUBJEPX-ZVDOUQERSA-N 2 0 327.516 3.476 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000665275311 462379573 /nfs/dbraw/zinc/37/95/73/462379573.db2.gz HIBWRKHDHDEPID-RLLQIKCJSA-N 2 0 330.472 3.037 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000668027996 462381428 /nfs/dbraw/zinc/38/14/28/462381428.db2.gz VTLHTYJNJUKKIU-QGZVFWFLSA-N 2 0 332.488 3.161 20 0 EGADRP C([NH+]1CC[C@@H](C2CCC2)C1)C1(C[N@@H+]2CC[C@H](C3CCC3)C2)COC1 ZINC000665288231 462385887 /nfs/dbraw/zinc/38/58/87/462385887.db2.gz HUKNJZKUSQIGGV-BGYRXZFFSA-N 2 0 332.532 3.247 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000658353526 462487039 /nfs/dbraw/zinc/48/70/39/462487039.db2.gz NZNJLTLRASRZGU-ZDUSSCGKSA-N 2 0 329.444 3.306 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658357639 462488988 /nfs/dbraw/zinc/48/89/88/462488988.db2.gz UWRZMTXFEGXRCD-KRWDZBQOSA-N 2 0 346.515 3.484 20 0 EGADRP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000344475040 535776649 /nfs/dbraw/zinc/77/66/49/535776649.db2.gz XXRYAWWGISTUDQ-HDICACEKSA-N 2 0 343.515 3.227 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000351692168 536353547 /nfs/dbraw/zinc/35/35/47/536353547.db2.gz LEUAYQCBOGISED-HXUWFJFHSA-N 2 0 333.495 3.208 20 0 EGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000357069001 536513173 /nfs/dbraw/zinc/51/31/73/536513173.db2.gz DZVBQDZNDMGVIJ-QGZVFWFLSA-N 2 0 341.455 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000073326496 546575831 /nfs/dbraw/zinc/57/58/31/546575831.db2.gz OIYUEYYAAPKTCD-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)no1 ZINC000090911659 546661315 /nfs/dbraw/zinc/66/13/15/546661315.db2.gz DUMABQVMRVMGIM-HUUCEWRRSA-N 2 0 328.460 3.160 20 0 EGADRP CCC[NH+]1CCC(Nc2ccc(N3CC[NH+](C)CC3)cc2C)CC1 ZINC000129048812 546784692 /nfs/dbraw/zinc/78/46/92/546784692.db2.gz DMGWXCKLOMHHEL-UHFFFAOYSA-N 2 0 330.520 3.033 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)N1CC[NH+](C)CC1 ZINC000134382980 546828516 /nfs/dbraw/zinc/82/85/16/546828516.db2.gz JHOHEGCAPWNVTM-BLLLJJGKSA-N 2 0 342.314 3.206 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000155436936 546902856 /nfs/dbraw/zinc/90/28/56/546902856.db2.gz FTFAQTADSKCWOV-IERDGZPVSA-N 2 0 337.467 3.398 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000162569525 546966349 /nfs/dbraw/zinc/96/63/49/546966349.db2.gz YSYRZWVEJVMKNP-INIZCTEOSA-N 2 0 339.936 3.104 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178378485 547036918 /nfs/dbraw/zinc/03/69/18/547036918.db2.gz IQZRVEVADWELHN-CZUORRHYSA-N 2 0 326.481 3.309 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c(C)c2)CC1 ZINC000182566465 547081826 /nfs/dbraw/zinc/08/18/26/547081826.db2.gz ABNOPERELKBEIO-MSOLQXFVSA-N 2 0 330.520 3.032 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000245591621 547265535 /nfs/dbraw/zinc/26/55/35/547265535.db2.gz ABNOPERELKBEIO-ZWKOTPCHSA-N 2 0 330.520 3.032 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000339075617 547568579 /nfs/dbraw/zinc/56/85/79/547568579.db2.gz QOWCPWLPAZFRQM-MOPGFXCFSA-N 2 0 328.500 3.260 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000339229359 547571468 /nfs/dbraw/zinc/57/14/68/547571468.db2.gz GZSIJOMAUGUCHW-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000339239536 547571581 /nfs/dbraw/zinc/57/15/81/547571581.db2.gz ZNVGWJBOSUVBEC-IRXDYDNUSA-N 2 0 349.544 3.266 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414925818 547861762 /nfs/dbraw/zinc/86/17/62/547861762.db2.gz MIRJQBSBVDICOZ-RTXFEEFZSA-N 2 0 329.257 3.379 20 0 EGADRP c1nc(C2CC2)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000426162356 547886934 /nfs/dbraw/zinc/88/69/34/547886934.db2.gz PHCDQVAHYKUMML-UHFFFAOYSA-N 2 0 349.544 3.345 20 0 EGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000446072588 547924337 /nfs/dbraw/zinc/92/43/37/547924337.db2.gz VBJOKPGRLWMMOB-JWXAEQQXSA-N 2 0 326.525 3.152 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459438467 547942627 /nfs/dbraw/zinc/94/26/27/547942627.db2.gz HPZWQPIJHHRKRT-NHCUHLMSSA-N 2 0 328.500 3.422 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000671309258 548276463 /nfs/dbraw/zinc/27/64/63/548276463.db2.gz QTHRGMNBGKYRRC-RTWAWAEBSA-N 2 0 344.499 3.305 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC000671764841 548356326 /nfs/dbraw/zinc/35/63/26/548356326.db2.gz LXILKYWFGQLKEA-ZDUSSCGKSA-N 2 0 326.431 3.442 20 0 EGADRP Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(C)c1F ZINC000675876785 548995277 /nfs/dbraw/zinc/99/52/77/548995277.db2.gz SOTDKPKYXDLJBH-SJLPKXTDSA-N 2 0 333.495 3.262 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000675873469 548995739 /nfs/dbraw/zinc/99/57/39/548995739.db2.gz MGYHLJRDVVLGEB-KUHUBIRLSA-N 2 0 333.907 3.085 20 0 EGADRP C([NH+]1CCC[C@@H](C2CC2)C1)C1(C[N@@H+]2CCC[C@H](C3CC3)C2)COC1 ZINC000677040851 549197056 /nfs/dbraw/zinc/19/70/56/549197056.db2.gz ZJKHVDHEFCSTHB-BGYRXZFFSA-N 2 0 332.532 3.247 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000677194221 549226807 /nfs/dbraw/zinc/22/68/07/549226807.db2.gz RKFXLLRBZPGRHW-KRWDZBQOSA-N 2 0 331.504 3.085 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000677237974 549235277 /nfs/dbraw/zinc/23/52/77/549235277.db2.gz SPORKHUWCBIOHI-AYBZRNKSSA-N 2 0 333.907 3.383 20 0 EGADRP CCCc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000677238395 549235550 /nfs/dbraw/zinc/23/55/50/549235550.db2.gz UZDXWUYVJQLCHV-QGZVFWFLSA-N 2 0 325.456 3.098 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678968710 549606195 /nfs/dbraw/zinc/60/61/95/549606195.db2.gz JXHRVHNWQRHHHW-FQEVSTJZSA-N 2 0 346.515 3.048 20 0 EGADRP Cc1ccncc1[C@@H](C)[NH2+]CCOCC[NH2+][C@@H](C)c1cnccc1C ZINC000679941479 549793641 /nfs/dbraw/zinc/79/36/41/549793641.db2.gz DOSUVNGTCGSWRZ-HDICACEKSA-N 2 0 342.487 3.111 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000681972180 550056387 /nfs/dbraw/zinc/05/63/87/550056387.db2.gz UKCRLRDVJQUYDG-UXHICEINSA-N 2 0 329.532 3.013 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000682733391 550137601 /nfs/dbraw/zinc/13/76/01/550137601.db2.gz XZWJZJXBCYIVCJ-LJQANCHMSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000683147598 550196766 /nfs/dbraw/zinc/19/67/66/550196766.db2.gz YUBQQOUKJMSBQP-CPLUKWAASA-N 2 0 332.488 3.001 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684366907 550320359 /nfs/dbraw/zinc/32/03/59/550320359.db2.gz GSOAIRSVVGIZBG-CVEARBPZSA-N 2 0 337.939 3.448 20 0 EGADRP C[C@@H](CO)[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CCC1 ZINC000685431557 550415830 /nfs/dbraw/zinc/41/58/30/550415830.db2.gz OMVURXPYDXDDDP-SFHVURJKSA-N 2 0 346.515 3.144 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000685451854 550417823 /nfs/dbraw/zinc/41/78/23/550417823.db2.gz ZOEQABDLWWZPKK-HXUWFJFHSA-N 2 0 325.456 3.359 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cscc3C(F)(F)F)C2)CC1 ZINC000685616023 550432564 /nfs/dbraw/zinc/43/25/64/550432564.db2.gz VEYKUMIQZCNOPX-ZDUSSCGKSA-N 2 0 347.450 3.025 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)CCCC[NH+]2CCCC2)c1 ZINC000729334614 574843338 /nfs/dbraw/zinc/84/33/38/574843338.db2.gz PQVAZCIJZDNDBC-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP CC(C)[NH+](CCNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)C(C)C ZINC000729583134 574872023 /nfs/dbraw/zinc/87/20/23/574872023.db2.gz QUGBWHCTIBAILN-UHFFFAOYSA-N 2 0 348.535 3.008 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000733778751 575392495 /nfs/dbraw/zinc/39/24/95/575392495.db2.gz GLBSOFQXHLPFEH-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP CN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000735870955 575728745 /nfs/dbraw/zinc/72/87/45/575728745.db2.gz SWPWCEXSRHIMND-MRXNPFEDSA-N 2 0 331.504 3.196 20 0 EGADRP c1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1Cc1ccccc1 ZINC000678343046 576167323 /nfs/dbraw/zinc/16/73/23/576167323.db2.gz LTYMULCUNBSFFD-OALUTQOASA-N 2 0 331.463 3.341 20 0 EGADRP C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000691736563 1298137988 /nfs/dbraw/zinc/13/79/88/1298137988.db2.gz WWMSBSZDJSKPLW-QUCCMNQESA-N 3 0 327.516 3.115 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000067188308 1292151502 /nfs/dbraw/zinc/15/15/02/1292151502.db2.gz IFXOQAPMQHWXNW-SFHVURJKSA-N 2 0 345.531 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000067222685 1292154042 /nfs/dbraw/zinc/15/40/42/1292154042.db2.gz VLXJZJSYHSTWLH-HXUWFJFHSA-N 2 0 339.483 3.482 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1cccc2ccccc21)N1CC[NH+](C)CC1 ZINC000075762996 1292409668 /nfs/dbraw/zinc/40/96/68/1292409668.db2.gz REGAXKIZFGHLBY-OAQYLSRUSA-N 2 0 325.500 3.201 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000831088973 1292806998 /nfs/dbraw/zinc/80/69/98/1292806998.db2.gz QQMWERXNZXKQBY-CMTQZCSUSA-N 2 0 343.515 3.236 20 0 EGADRP [NH3+][C@H](CCC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000831088996 1292807154 /nfs/dbraw/zinc/80/71/54/1292807154.db2.gz QVZSOLPSNQCSLI-SOAGJPPSSA-N 2 0 343.515 3.380 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000092411041 1292865494 /nfs/dbraw/zinc/86/54/94/1292865494.db2.gz GAMYQQHMWLKDSN-INIZCTEOSA-N 2 0 333.501 3.257 20 0 EGADRP CO[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000831534026 1292879606 /nfs/dbraw/zinc/87/96/06/1292879606.db2.gz MLNYNUDUNQYYRL-WTGUMLROSA-N 2 0 340.552 3.260 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(C)ccc2O)cc1 ZINC000103342681 1293003169 /nfs/dbraw/zinc/00/31/69/1293003169.db2.gz QRSCKEIYVFTXNV-UHFFFAOYSA-N 2 0 343.471 3.106 20 0 EGADRP CCc1oc2ccccc2c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000105451309 1293037659 /nfs/dbraw/zinc/03/76/59/1293037659.db2.gz KZKVNOWUUMAXCK-UHFFFAOYSA-N 2 0 343.515 3.358 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)N1CC[NH+](C)CC1 ZINC000105466329 1293038437 /nfs/dbraw/zinc/03/84/37/1293038437.db2.gz UVHAFAZGONXDCQ-OAHLLOKOSA-N 2 0 347.503 3.280 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000105459077 1293038973 /nfs/dbraw/zinc/03/89/73/1293038973.db2.gz PFDHPEATKFEVHO-UHFFFAOYSA-N 2 0 348.441 3.199 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000109068223 1293086805 /nfs/dbraw/zinc/08/68/05/1293086805.db2.gz BTOGTVZTQMOMNL-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccco1 ZINC000834501518 1293107088 /nfs/dbraw/zinc/10/70/88/1293107088.db2.gz BVCYPRBGUJZBKC-UAFMIMERSA-N 2 0 340.467 3.346 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834530049 1293111592 /nfs/dbraw/zinc/11/15/92/1293111592.db2.gz AAWNIIDUKTURCJ-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000834784187 1293148101 /nfs/dbraw/zinc/14/81/01/1293148101.db2.gz ZBIDVECEMUDWSH-OBXNSHGQSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1)[C@@H](C)O ZINC000834889446 1293164202 /nfs/dbraw/zinc/16/42/02/1293164202.db2.gz XRQXUHKTIHFRSC-MDZRGWNJSA-N 2 0 334.504 3.491 20 0 EGADRP Cc1noc(C)c1C[NH+](C)CCCC[N@@H+](C)Cc1c(C)noc1C ZINC000118401541 1293236428 /nfs/dbraw/zinc/23/64/28/1293236428.db2.gz LJAPIWHGPJWLOK-UHFFFAOYSA-N 2 0 334.464 3.240 20 0 EGADRP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000121592040 1293379332 /nfs/dbraw/zinc/37/93/32/1293379332.db2.gz AVDDYNKBKQMBNX-FQEVSTJZSA-N 2 0 343.559 3.405 20 0 EGADRP Cc1ccc(N2CC[C@H]([NH+]3CCC(CCC[NH+](C)C)CC3)C2=O)cc1 ZINC000123429816 1293443553 /nfs/dbraw/zinc/44/35/53/1293443553.db2.gz XDFNTRDLADHEHN-FQEVSTJZSA-N 2 0 343.515 3.154 20 0 EGADRP CC(C)Oc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000126029242 1293522986 /nfs/dbraw/zinc/52/29/86/1293522986.db2.gz ZUVZKKWNUYPAHP-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1COC2(CCCCC2)O1 ZINC000126211259 1293527914 /nfs/dbraw/zinc/52/79/14/1293527914.db2.gz ZDBRUJZLSQWCGJ-IBGZPJMESA-N 2 0 336.520 3.449 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1OC ZINC000129474299 1293625315 /nfs/dbraw/zinc/62/53/15/1293625315.db2.gz ZDIDCRITGVFEEW-INIZCTEOSA-N 2 0 334.504 3.346 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130726533 1293666535 /nfs/dbraw/zinc/66/65/35/1293666535.db2.gz XWPMVRUIVVUAFG-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc3ccccc3c2)ccn1 ZINC000136230084 1293812395 /nfs/dbraw/zinc/81/23/95/1293812395.db2.gz JLGPDSSXUFOAMI-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000151944748 1293945554 /nfs/dbraw/zinc/94/55/54/1293945554.db2.gz AYRPFQKMKJFUDV-UHFFFAOYSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000153426820 1294013427 /nfs/dbraw/zinc/01/34/27/1294013427.db2.gz YWTXGKJZFJJBNL-LPHOPBHVSA-N 2 0 348.450 3.117 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000164584087 1294350030 /nfs/dbraw/zinc/35/00/30/1294350030.db2.gz TXQVJTMYGXMVTA-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000164604763 1294351458 /nfs/dbraw/zinc/35/14/58/1294351458.db2.gz KVCBYFVFQGIRMP-AHRSYUTCSA-N 2 0 343.515 3.052 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCCO)cc1C[NH+]1CCCCC1 ZINC000183104663 1295100298 /nfs/dbraw/zinc/10/02/98/1295100298.db2.gz FATMLQXLRSHOSJ-IAGOWNOFSA-N 2 0 334.504 3.493 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)C1 ZINC000870866443 1296121434 /nfs/dbraw/zinc/12/14/34/1296121434.db2.gz WHEMDKYOAUHKPL-KBAYOESNSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)C1 ZINC000870866090 1296121471 /nfs/dbraw/zinc/12/14/71/1296121471.db2.gz MZPYCHCEMLCLBZ-AHRSYUTCSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000870885853 1296130537 /nfs/dbraw/zinc/13/05/37/1296130537.db2.gz UJOQLSPUIXPWMT-VBSBHUPXSA-N 2 0 345.531 3.386 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC2CC[NH+](C(C)C)CC2)o1 ZINC000870958747 1296154827 /nfs/dbraw/zinc/15/48/27/1296154827.db2.gz JZDAAVGAMAZXBX-UHFFFAOYSA-N 2 0 349.519 3.362 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CCCCC[NH3+])c2cccs2)CC1 ZINC000236726431 1296198784 /nfs/dbraw/zinc/19/87/84/1296198784.db2.gz NFZYTHGBKLESPC-MRXNPFEDSA-N 2 0 337.533 3.156 20 0 EGADRP CN(C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000248043255 1296403919 /nfs/dbraw/zinc/40/39/19/1296403919.db2.gz MLLCYQDUGATIDF-DLBZAZTESA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000248639141 1296423309 /nfs/dbraw/zinc/42/33/09/1296423309.db2.gz LQHPCYNOYNNWAP-HLAWJBBLSA-N 2 0 343.559 3.432 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)C[C@H]1c1ccccc1 ZINC000261788389 1296602990 /nfs/dbraw/zinc/60/29/90/1296602990.db2.gz PZVFMBWXZQTOGH-SJORKVTESA-N 2 0 332.394 3.462 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(Cl)c1OC ZINC000262013466 1296614890 /nfs/dbraw/zinc/61/48/90/1296614890.db2.gz MKQMSSAOAPBBIJ-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC(F)F ZINC000262028264 1296616568 /nfs/dbraw/zinc/61/65/68/1296616568.db2.gz NSFRTAQBAWVYFY-UHFFFAOYSA-N 2 0 340.414 3.262 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)Sc2ccccc21)N1CC[NH+](C)CC1 ZINC000872033729 1296682271 /nfs/dbraw/zinc/68/22/71/1296682271.db2.gz ITFGDGWVLPLLMT-DOTOQJQBSA-N 2 0 333.545 3.228 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@@H](n2cncn2)C1 ZINC000283887806 1296733787 /nfs/dbraw/zinc/73/37/87/1296733787.db2.gz CKBAJHUMGIRZOO-RLLQIKCJSA-N 2 0 341.503 3.120 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)cc1C[NH+]1CCCCC1 ZINC000872127031 1296750263 /nfs/dbraw/zinc/75/02/63/1296750263.db2.gz SBLOVBZXJCJVAX-BXWFABGCSA-N 2 0 332.488 3.103 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000301962851 1296795514 /nfs/dbraw/zinc/79/55/14/1296795514.db2.gz PNUJLPBIYYMCMV-SJORKVTESA-N 2 0 339.524 3.144 20 0 EGADRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCCC1)Nc1ccccc1 ZINC000304059998 1296897827 /nfs/dbraw/zinc/89/78/27/1296897827.db2.gz OIIINQSHULQLSG-UHFFFAOYSA-N 2 0 332.517 3.375 20 0 EGADRP CC(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000305164244 1296989849 /nfs/dbraw/zinc/98/98/49/1296989849.db2.gz SBDYALWIUHSUMW-SFTDATJTSA-N 2 0 346.515 3.331 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc3ncccc23)cc1 ZINC000873013900 1297223193 /nfs/dbraw/zinc/22/31/93/1297223193.db2.gz JMAJABBNQVOTIV-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204383 1297349785 /nfs/dbraw/zinc/34/97/85/1297349785.db2.gz COWYCMOWRYFRGI-SJORKVTESA-N 2 0 347.572 3.480 20 0 EGADRP c1c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873206976 1297352682 /nfs/dbraw/zinc/35/26/82/1297352682.db2.gz HFAOJBXZAFBUFM-QGZVFWFLSA-N 2 0 327.497 3.470 20 0 EGADRP Clc1cccc([C@@H]2C[NH2+]CCN2Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873208165 1297353696 /nfs/dbraw/zinc/35/36/96/1297353696.db2.gz DJCHZVNSHBMJCJ-KRWDZBQOSA-N 2 0 347.915 3.194 20 0 EGADRP COc1ccc(CCC[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC000873210831 1297354816 /nfs/dbraw/zinc/35/48/16/1297354816.db2.gz CYFVBVLURUXQOR-UHFFFAOYSA-N 2 0 346.496 3.133 20 0 EGADRP COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213952 1297356211 /nfs/dbraw/zinc/35/62/11/1297356211.db2.gz SKIUFSOYWZYQQB-HNNXBMFYSA-N 2 0 330.453 3.016 20 0 EGADRP COC[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1cccc(Br)c1 ZINC000873224127 1297363858 /nfs/dbraw/zinc/36/38/58/1297363858.db2.gz XGGFMMRPXXIHQC-WWGRRREGSA-N 2 0 341.293 3.114 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3ccn(-c4cc[nH+]cc4)n3)n2)cc1 ZINC000349927487 1297384269 /nfs/dbraw/zinc/38/42/69/1297384269.db2.gz NWHZBVJYJTURPI-UHFFFAOYSA-N 2 0 346.394 3.046 20 0 EGADRP c1ccc(CN2CCCC[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000873266839 1297397997 /nfs/dbraw/zinc/39/79/97/1297397997.db2.gz RFBMAAWGIZQDSN-NCYKPQTJSA-N 2 0 327.516 3.019 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290412 1297412463 /nfs/dbraw/zinc/41/24/63/1297412463.db2.gz DGNVNGDNJDSNSN-VCBZYWHSSA-N 2 0 332.463 3.197 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291708 1297414313 /nfs/dbraw/zinc/41/43/13/1297414313.db2.gz IEPBJFKSBLJGEF-WBVHZDCISA-N 2 0 328.456 3.112 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000873291580 1297414564 /nfs/dbraw/zinc/41/45/64/1297414564.db2.gz KOYLFTPZLVNBQB-WOJBJXKFSA-N 2 0 328.500 3.064 20 0 EGADRP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000379616591 1297534713 /nfs/dbraw/zinc/53/47/13/1297534713.db2.gz CPKPLIQMBQKDSY-UZLBHIALSA-N 2 0 330.447 3.359 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000382772166 1297564960 /nfs/dbraw/zinc/56/49/60/1297564960.db2.gz KCYVNABOXWDLCC-UHFFFAOYSA-N 2 0 333.476 3.465 20 0 EGADRP CCCN1CC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548712 1297610424 /nfs/dbraw/zinc/61/04/24/1297610424.db2.gz NMGDOFHUBBXSED-IRXDYDNUSA-N 2 0 337.305 3.380 20 0 EGADRP N#Cc1ccc([C@@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397498908 1297701305 /nfs/dbraw/zinc/70/13/05/1297701305.db2.gz UABCJSYWULTPCK-QFIPXVFZSA-N 2 0 349.478 3.093 20 0 EGADRP CO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000397527722 1297701323 /nfs/dbraw/zinc/70/13/23/1297701323.db2.gz XJYUBGQZUCAPIB-UXHICEINSA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)cc2C1 ZINC000404757319 1297759009 /nfs/dbraw/zinc/75/90/09/1297759009.db2.gz GENKDBCJAWEWPP-IRXDYDNUSA-N 2 0 345.487 3.153 20 0 EGADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000444791230 1297860804 /nfs/dbraw/zinc/86/08/04/1297860804.db2.gz KJDPJHRVKZVEDM-INIZCTEOSA-N 2 0 349.438 3.382 20 0 EGADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCC2 ZINC000453099687 1297890230 /nfs/dbraw/zinc/89/02/30/1297890230.db2.gz WRAOJGKCFMSMGO-MOPGFXCFSA-N 2 0 332.488 3.064 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000693860827 1298153261 /nfs/dbraw/zinc/15/32/61/1298153261.db2.gz GPSSXXNMHKZLRQ-JKSUJKDBSA-N 2 0 339.524 3.238 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700803855 1298179667 /nfs/dbraw/zinc/17/96/67/1298179667.db2.gz NFXUEEWHJOJEOM-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000700799542 1298180459 /nfs/dbraw/zinc/18/04/59/1298180459.db2.gz ITCAGAQIHUPHFD-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000708552620 1298244466 /nfs/dbraw/zinc/24/44/66/1298244466.db2.gz WIWTZKCGICRUDK-QAPCUYQASA-N 2 0 328.431 3.389 20 0 EGADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711105449 1298259400 /nfs/dbraw/zinc/25/94/00/1298259400.db2.gz HNNVRHDLMOFVKO-NIMBFUQJSA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000715201493 1298278823 /nfs/dbraw/zinc/27/88/23/1298278823.db2.gz LLZSWTSRZYPMEE-LTIDMASMSA-N 2 0 339.524 3.142 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724025117 1298343946 /nfs/dbraw/zinc/34/39/46/1298343946.db2.gz DHGBDKSBHZJHDU-IAGOWNOFSA-N 2 0 339.524 3.001 20 0 EGADRP CN(Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1)C(=O)OC(C)(C)C ZINC000724069251 1298346942 /nfs/dbraw/zinc/34/69/42/1298346942.db2.gz PBRZTNOXRLPFQP-MAUKXSAKSA-N 2 0 347.503 3.271 20 0 EGADRP C[C@@H](C(=O)NCCCCCCC[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000746163581 1298546674 /nfs/dbraw/zinc/54/66/74/1298546674.db2.gz PNQCRUCFWGHGAJ-IBGZPJMESA-N 2 0 337.552 3.413 20 0 EGADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000876538229 1298814106 /nfs/dbraw/zinc/81/41/06/1298814106.db2.gz NTMUKRYFQUFRQV-LLVKDONJSA-N 2 0 344.484 3.191 20 0 EGADRP CSC(C)(C)CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000876651707 1298898170 /nfs/dbraw/zinc/89/81/70/1298898170.db2.gz BYFFNXMAEGARIM-CALCHBBNSA-N 2 0 327.582 3.009 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877143891 1299180214 /nfs/dbraw/zinc/18/02/14/1299180214.db2.gz XQQUOBXJRSSDKZ-UHFFFAOYSA-N 2 0 339.524 3.145 20 0 EGADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000877267500 1299227105 /nfs/dbraw/zinc/22/71/05/1299227105.db2.gz XDBYJJTYZHSKJI-FXAWDEMLSA-N 2 0 345.531 3.149 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000877448313 1299307625 /nfs/dbraw/zinc/30/76/25/1299307625.db2.gz DBILZSVBGBQZGF-VDGAXYAQSA-N 2 0 343.515 3.141 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000877451661 1299310858 /nfs/dbraw/zinc/31/08/58/1299310858.db2.gz LRRHOEATNSJHTJ-PXNSSMCTSA-N 2 0 349.563 3.253 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)[C@H]3CCCCC[C@@H]32)CC1 ZINC000749955605 1299312693 /nfs/dbraw/zinc/31/26/93/1299312693.db2.gz SMTLQJSVPMLFEH-OALUTQOASA-N 2 0 335.536 3.179 20 0 EGADRP CCOC(=O)c1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)[nH]c1C ZINC000877698210 1299490049 /nfs/dbraw/zinc/49/00/49/1299490049.db2.gz VRQGCAUKSWVHML-UHFFFAOYSA-N 2 0 335.492 3.100 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(CCc2ccccc2Br)C1 ZINC000878166700 1299791145 /nfs/dbraw/zinc/79/11/45/1299791145.db2.gz CLDXMUQYSKMJPE-AWEZNQCLSA-N 2 0 325.294 3.265 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(n2ccnc2)CC1 ZINC000878173279 1299795814 /nfs/dbraw/zinc/79/58/14/1299795814.db2.gz UWQKEVRFHLVTAK-GOSISDBHSA-N 2 0 326.444 3.246 20 0 EGADRP CC(C)=C(C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000755206772 1300298734 /nfs/dbraw/zinc/29/87/34/1300298734.db2.gz MTBIMSGDQNMNMA-OALUTQOASA-N 2 0 335.536 3.138 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CC23CCC3)CC1 ZINC000763217377 1301849667 /nfs/dbraw/zinc/84/96/67/1301849667.db2.gz SWLJSZBGGSIJOA-QGZVFWFLSA-N 2 0 333.520 3.075 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000765472950 1302270351 /nfs/dbraw/zinc/27/03/51/1302270351.db2.gz UMLFGWMEVFOFOH-SFHVURJKSA-N 2 0 344.547 3.043 20 0 EGADRP CCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369466 1302653761 /nfs/dbraw/zinc/65/37/61/1302653761.db2.gz FIUFIBHVJGXFRH-IAGOWNOFSA-N 2 0 339.524 3.192 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000884329060 1302817065 /nfs/dbraw/zinc/81/70/65/1302817065.db2.gz FPOSNJGMCMDOFH-IHPCNDPISA-N 2 0 345.531 3.037 20 0 EGADRP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)C1 ZINC000770686126 1303306735 /nfs/dbraw/zinc/30/67/35/1303306735.db2.gz SINKOMAZMZGXBF-HXUWFJFHSA-N 2 0 349.563 3.427 20 0 EGADRP C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)O2)CO1 ZINC000886330532 1303436204 /nfs/dbraw/zinc/43/62/04/1303436204.db2.gz TZMQUZFCMWXAPP-AHRSYUTCSA-N 2 0 336.520 3.100 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000886552155 1303497794 /nfs/dbraw/zinc/49/77/94/1303497794.db2.gz VOTUKGWIJOXMBW-BIXGBWIQSA-N 2 0 347.547 3.307 20 0 EGADRP C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)O2)CO1 ZINC000886769548 1303591740 /nfs/dbraw/zinc/59/17/40/1303591740.db2.gz WXLLGNYBHDAJSB-DAXUVDGBSA-N 2 0 336.520 3.100 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000886869689 1303621163 /nfs/dbraw/zinc/62/11/63/1303621163.db2.gz FOONPBQNQPTAER-GOSISDBHSA-N 2 0 335.879 3.134 20 0 EGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCCC[NH+]1CCCC1 ZINC000773088926 1303622598 /nfs/dbraw/zinc/62/25/98/1303622598.db2.gz QEUNJHWVTDYUDT-UHFFFAOYSA-N 2 0 337.552 3.413 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2)cc1C[NH+]1CCCCC1 ZINC000775380488 1303951390 /nfs/dbraw/zinc/95/13/90/1303951390.db2.gz OUFYZCKFPMXUQW-APWZRJJASA-N 2 0 331.504 3.036 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)cc1C[NH+]1CCCCC1 ZINC000775387819 1303953413 /nfs/dbraw/zinc/95/34/13/1303953413.db2.gz MSVIYMPFRJWIGB-HRAATJIYSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H]1C[C@@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777697662 1304336303 /nfs/dbraw/zinc/33/63/03/1304336303.db2.gz YNPFKBFULLVSOC-XLIONFOSSA-N 2 0 344.547 3.359 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000780300432 1304674441 /nfs/dbraw/zinc/67/44/41/1304674441.db2.gz FAJBSPGTASETLV-FQEVSTJZSA-N 2 0 341.543 3.207 20 0 EGADRP ClC1(Cl)C[C@H]1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780331418 1304677803 /nfs/dbraw/zinc/67/78/03/1304677803.db2.gz UCJBCLYJPLEMOL-HNNXBMFYSA-N 2 0 335.319 3.005 20 0 EGADRP Cc1ccc(OCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000780330786 1304677834 /nfs/dbraw/zinc/67/78/34/1304677834.db2.gz NBZVJRIHJAAPMF-UHFFFAOYSA-N 2 0 346.515 3.198 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@@](C)(C3CCCC3)CC2=O)CC1 ZINC000780442428 1304693534 /nfs/dbraw/zinc/69/35/34/1304693534.db2.gz JLRSYNOKMXQCAH-NRFANRHFSA-N 2 0 349.563 3.425 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(F)cc2C)CC1 ZINC000892146906 1305267506 /nfs/dbraw/zinc/26/75/06/1305267506.db2.gz ZKLHLKVMRQEXCD-UHFFFAOYSA-N 2 0 337.483 3.100 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892179992 1305275602 /nfs/dbraw/zinc/27/56/02/1305275602.db2.gz MYPLPXYWFWXCOU-SFHVURJKSA-N 2 0 326.488 3.151 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000892951456 1305623733 /nfs/dbraw/zinc/62/37/33/1305623733.db2.gz OABHCINKPZBBGN-HXUWFJFHSA-N 2 0 345.531 3.003 20 0 EGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCNC2=O)cc1 ZINC000786829645 1305636262 /nfs/dbraw/zinc/63/62/62/1305636262.db2.gz LZZMNNQIIZOFMQ-YJBOKZPZSA-N 2 0 346.519 3.233 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893103730 1305708988 /nfs/dbraw/zinc/70/89/88/1305708988.db2.gz SPXAUMONXPAATC-LVNQGSGBSA-N 2 0 341.543 3.358 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000893113866 1305713715 /nfs/dbraw/zinc/71/37/15/1305713715.db2.gz OFORDZGJXLGKPV-DUXKGJEZSA-N 2 0 328.500 3.074 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000893226997 1305773175 /nfs/dbraw/zinc/77/31/75/1305773175.db2.gz VOMRONUMFCCSSW-RXVVDRJESA-N 3 0 329.532 3.219 20 0 EGADRP COc1cccc(-c2csc(CNCC3=CC[N@H+](C)CC3)n2)c1 ZINC000893305820 1305817090 /nfs/dbraw/zinc/81/70/90/1305817090.db2.gz XCLOSTYYBGZMLH-UHFFFAOYSA-N 2 0 329.469 3.170 20 0 EGADRP CCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893412267 1305882028 /nfs/dbraw/zinc/88/20/28/1305882028.db2.gz LQZGQRUOSCWLNV-LPHOPBHVSA-N 2 0 326.488 3.212 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000790080941 1306260306 /nfs/dbraw/zinc/26/03/06/1306260306.db2.gz QOPBJKKGIHGJDD-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000790751794 1308859550 /nfs/dbraw/zinc/85/95/50/1308859550.db2.gz XQHZTLXJDZFKKB-MRXNPFEDSA-N 2 0 345.487 3.416 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1)CC1CC1 ZINC000792267763 1309152369 /nfs/dbraw/zinc/15/23/69/1309152369.db2.gz JEFDOTISMDDKPA-LJQANCHMSA-N 2 0 348.531 3.306 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C\c3cccc(F)c3)CC2)CC1 ZINC000895034895 1309166310 /nfs/dbraw/zinc/16/63/10/1309166310.db2.gz YVNHDNOZTZSCMS-DAXSKMNVSA-N 2 0 345.506 3.331 20 0 EGADRP COCc1c(C)cc(C)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000895084091 1309185668 /nfs/dbraw/zinc/18/56/68/1309185668.db2.gz NULDHJJBZXKCJG-UHFFFAOYSA-N 2 0 346.515 3.055 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000793530123 1309396620 /nfs/dbraw/zinc/39/66/20/1309396620.db2.gz DJZUWADLOYYJDH-MOPGFXCFSA-N 2 0 346.515 3.057 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000793530131 1309397195 /nfs/dbraw/zinc/39/71/95/1309397195.db2.gz DJZUWADLOYYJDH-RBUKOAKNSA-N 2 0 346.515 3.057 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000896388478 1309834895 /nfs/dbraw/zinc/83/48/95/1309834895.db2.gz WWKYMFJZNHTQQW-SAGYGOJTSA-N 2 0 340.483 3.007 20 0 EGADRP CC(C)[C@@H](C[NH2+]CC1CCC2(CC1)OCCO2)[NH+]1CCCCCC1 ZINC000795893228 1309856015 /nfs/dbraw/zinc/85/60/15/1309856015.db2.gz ARPCBMBZVPKFSQ-LJQANCHMSA-N 2 0 338.536 3.410 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795898827 1309856543 /nfs/dbraw/zinc/85/65/43/1309856543.db2.gz JAXYGQXEDMXVER-HDICACEKSA-N 2 0 338.536 3.267 20 0 EGADRP Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000796479671 1310010889 /nfs/dbraw/zinc/01/08/89/1310010889.db2.gz BBUBUNMKDSAHCQ-UTKZUKDTSA-N 2 0 342.483 3.147 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000796653646 1310058179 /nfs/dbraw/zinc/05/81/79/1310058179.db2.gz PFCUWGKYHQYQPF-VQHPVUNQSA-N 2 0 339.524 3.094 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796696856 1310065195 /nfs/dbraw/zinc/06/51/95/1310065195.db2.gz WCCGBJYRYJQYGG-AWEZNQCLSA-N 2 0 328.884 3.276 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnc(Cl)cn1 ZINC000799148626 1310492704 /nfs/dbraw/zinc/49/27/04/1310492704.db2.gz DQIBNLWTFKDXSJ-UHFFFAOYSA-N 2 0 345.878 3.264 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000799173229 1310498641 /nfs/dbraw/zinc/49/86/41/1310498641.db2.gz CKSQTINIGFMFRX-QGZVFWFLSA-N 2 0 344.421 3.027 20 0 EGADRP FC(F)(F)c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)[nH]n1 ZINC000799340419 1310529207 /nfs/dbraw/zinc/52/92/07/1310529207.db2.gz BWXAZWLFCNSTCT-UHFFFAOYSA-N 2 0 330.398 3.315 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000898324182 1310677905 /nfs/dbraw/zinc/67/79/05/1310677905.db2.gz DEPWQWLAQMBRAU-HXUWFJFHSA-N 2 0 325.456 3.263 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018938715 1316980855 /nfs/dbraw/zinc/98/08/55/1316980855.db2.gz ZJJXTHNNIAIABL-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001018971882 1316991368 /nfs/dbraw/zinc/99/13/68/1316991368.db2.gz YNRPLNGWIRYJQI-CABCVRRESA-N 2 0 349.906 3.076 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019068736 1317032173 /nfs/dbraw/zinc/03/21/73/1317032173.db2.gz JXVLPRMJBJIFDC-SFHVURJKSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001019232120 1317114139 /nfs/dbraw/zinc/11/41/39/1317114139.db2.gz JXGBLIIIUJTCCO-OALUTQOASA-N 2 0 343.515 3.203 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001019241727 1317119290 /nfs/dbraw/zinc/11/92/90/1317119290.db2.gz YAZIUMXDJOPPFJ-WZOJCFFYSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+]1CCC2(CC[N@@H+]2CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000899910442 1317199899 /nfs/dbraw/zinc/19/98/99/1317199899.db2.gz KYAYLVKMDPZJEP-UHFFFAOYSA-N 2 0 328.500 3.245 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C1 ZINC000900713344 1317326960 /nfs/dbraw/zinc/32/69/60/1317326960.db2.gz YZDFLICUVVVFHG-FUMNGEBKSA-N 2 0 347.547 3.116 20 0 EGADRP COc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000929763810 1328692338 /nfs/dbraw/zinc/69/23/38/1328692338.db2.gz WEHDVLRNBXCYQN-UHFFFAOYSA-N 2 0 332.488 3.080 20 0 EGADRP CCOCCOCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000929772781 1328695644 /nfs/dbraw/zinc/69/56/44/1328695644.db2.gz NYNOCLXNMJBXJE-NRFANRHFSA-N 2 0 346.515 3.028 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001019816404 1317439293 /nfs/dbraw/zinc/43/92/93/1317439293.db2.gz YQKFVZBKXMOTEZ-ICSRJNTNSA-N 2 0 343.515 3.123 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000957559658 1317457302 /nfs/dbraw/zinc/45/73/02/1317457302.db2.gz NUWWXOHJHIVEPU-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCc3nc(Cl)ccc32)C[C@H](C)O1 ZINC000806134291 1317463138 /nfs/dbraw/zinc/46/31/38/1317463138.db2.gz IOXHLQRXYYUOPF-LZWOXQAQSA-N 2 0 337.895 3.201 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957635720 1317510040 /nfs/dbraw/zinc/51/00/40/1317510040.db2.gz HWELCVLVQNGFAU-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001020151014 1317565355 /nfs/dbraw/zinc/56/53/55/1317565355.db2.gz HSKFJPXMEQBNMV-MUGJNUQGSA-N 2 0 347.547 3.068 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902337662 1317565642 /nfs/dbraw/zinc/56/56/42/1317565642.db2.gz QBIIPCBBVHBWSU-KRWDZBQOSA-N 2 0 331.504 3.032 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000902385954 1317571112 /nfs/dbraw/zinc/57/11/12/1317571112.db2.gz AUKHVXVABQVTAH-ZBFHGGJFSA-N 2 0 330.451 3.440 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC2CCC(F)(F)CC2)CC[NH2+]CC1 ZINC000902457978 1317580504 /nfs/dbraw/zinc/58/05/04/1317580504.db2.gz WFEVIMBJOOOQND-CQSZACIVSA-N 2 0 346.462 3.113 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000957761122 1317628222 /nfs/dbraw/zinc/62/82/22/1317628222.db2.gz GLCOVERWSIOTSN-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001020297763 1317634107 /nfs/dbraw/zinc/63/41/07/1317634107.db2.gz YKHRHIYYNQAUFJ-ATNYBXOESA-N 2 0 349.906 3.122 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000957774599 1317639024 /nfs/dbraw/zinc/63/90/24/1317639024.db2.gz VDVMXGZZYMTYHF-WOJBJXKFSA-N 2 0 349.563 3.223 20 0 EGADRP CCO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000903050133 1317642372 /nfs/dbraw/zinc/64/23/72/1317642372.db2.gz RLKWDWKJNKRTNJ-WOJBJXKFSA-N 2 0 331.504 3.231 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000957779646 1317643152 /nfs/dbraw/zinc/64/31/52/1317643152.db2.gz SCJOJPIGBGIKOQ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)c1 ZINC000903090585 1317649987 /nfs/dbraw/zinc/64/99/87/1317649987.db2.gz DHZGEPYPQAPUNJ-VCSGRIEYSA-N 3 0 327.516 3.386 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000903090825 1317650084 /nfs/dbraw/zinc/65/00/84/1317650084.db2.gz HWVRIUXYPCPSLM-NRFANRHFSA-N 2 0 339.483 3.305 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001020336007 1317651847 /nfs/dbraw/zinc/65/18/47/1317651847.db2.gz PPWMZDRQWQSIJH-ZTFGCOKTSA-N 2 0 348.450 3.254 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020339524 1317652192 /nfs/dbraw/zinc/65/21/92/1317652192.db2.gz SKBRZSISVGHQNK-FRYIKTPZSA-N 2 0 343.515 3.105 20 0 EGADRP COc1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903104572 1317653246 /nfs/dbraw/zinc/65/32/46/1317653246.db2.gz WCERHEAPZMGGJK-UNPWZGGWSA-N 2 0 330.472 3.210 20 0 EGADRP Cc1ccccc1C1CC([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000903115163 1317656261 /nfs/dbraw/zinc/65/62/61/1317656261.db2.gz MAYQCQGMYQBFGL-OSOWUDKRSA-N 2 0 342.527 3.310 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C2 ZINC000903114849 1317656372 /nfs/dbraw/zinc/65/63/72/1317656372.db2.gz IAUZEDSYKBCKMT-ZODGMFRMSA-N 2 0 338.442 3.095 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903130328 1317660581 /nfs/dbraw/zinc/66/05/81/1317660581.db2.gz LVZDOFXXVGNXGK-VBZNHOPUSA-N 2 0 344.499 3.458 20 0 EGADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000903147269 1317662487 /nfs/dbraw/zinc/66/24/87/1317662487.db2.gz GMKHLQCNOYZRLW-VLNCIODFSA-N 2 0 331.548 3.387 20 0 EGADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000903147271 1317662800 /nfs/dbraw/zinc/66/28/00/1317662800.db2.gz GMKHLQCNOYZRLW-WLALMCHYSA-N 2 0 331.548 3.387 20 0 EGADRP C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1Cl ZINC000903151708 1317663563 /nfs/dbraw/zinc/66/35/63/1317663563.db2.gz ISZXCDROSKWXDI-QGGWKKEGSA-N 2 0 334.891 3.295 20 0 EGADRP OC[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@@H]1c1ccc(F)cc1 ZINC000903159709 1317665666 /nfs/dbraw/zinc/66/56/66/1317665666.db2.gz HNEJZLZHDOSDKJ-KEAPPQJHSA-N 2 0 344.474 3.039 20 0 EGADRP C[C@H](NCc1cc(N(C)C)cc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903198274 1317672225 /nfs/dbraw/zinc/67/22/25/1317672225.db2.gz IEVKZJWZYHNFIN-PKOBYXMFSA-N 2 0 338.499 3.148 20 0 EGADRP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000903440640 1317700079 /nfs/dbraw/zinc/70/00/79/1317700079.db2.gz RTRZOXDOWSLEOI-QWCYLASJSA-N 2 0 348.490 3.430 20 0 EGADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCO2 ZINC000903565385 1317708227 /nfs/dbraw/zinc/70/82/27/1317708227.db2.gz IUKJJNGSVGSNEA-HNNXBMFYSA-N 2 0 339.277 3.252 20 0 EGADRP c1ccc(C[C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903728998 1317725726 /nfs/dbraw/zinc/72/57/26/1317725726.db2.gz JBABEAHVMYFHPQ-UXHICEINSA-N 2 0 328.500 3.100 20 0 EGADRP COc1cccc(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903725791 1317726232 /nfs/dbraw/zinc/72/62/32/1317726232.db2.gz HRAGATGZPHEFDQ-FQEVSTJZSA-N 2 0 344.499 3.033 20 0 EGADRP c1ccc(SC[C@H]2CC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903733948 1317727282 /nfs/dbraw/zinc/72/72/82/1317727282.db2.gz NCAYHGFWDHJGDX-ZWKOTPCHSA-N 2 0 346.540 3.259 20 0 EGADRP CCc1csc([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903738174 1317728021 /nfs/dbraw/zinc/72/80/21/1317728021.db2.gz YWVIEJKALOBHBP-RDJZCZTQSA-N 2 0 349.544 3.044 20 0 EGADRP Cc1nc([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)sc1C ZINC000903735493 1317728488 /nfs/dbraw/zinc/72/84/88/1317728488.db2.gz AQNIIFJUAHTGOV-SJORKVTESA-N 2 0 349.544 3.098 20 0 EGADRP Cc1cccc(NC2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903739948 1317728678 /nfs/dbraw/zinc/72/86/78/1317728678.db2.gz BQVJEGNCFZHINW-FQEVSTJZSA-N 2 0 343.515 3.030 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)O1 ZINC000903768968 1317730959 /nfs/dbraw/zinc/73/09/59/1317730959.db2.gz WDENGSGMSVNNCR-XHSDSOJGSA-N 2 0 334.426 3.198 20 0 EGADRP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903758784 1317731090 /nfs/dbraw/zinc/73/10/90/1317731090.db2.gz MKJVFKJHNZVQEH-OWCLPIDISA-N 2 0 346.368 3.177 20 0 EGADRP CCc1ccc(C2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903776369 1317731929 /nfs/dbraw/zinc/73/19/29/1317731929.db2.gz STTMUNZDPXHKNH-RTWAWAEBSA-N 2 0 328.500 3.197 20 0 EGADRP C(=C\[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)\c1ccccc1 ZINC000903788456 1317733835 /nfs/dbraw/zinc/73/38/35/1317733835.db2.gz LJFQPZBPEBVYAB-IQHLRMOPSA-N 2 0 326.484 3.323 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001020511810 1317735411 /nfs/dbraw/zinc/73/54/11/1317735411.db2.gz FIFWKHAEXMVENK-JBDAPHQKSA-N 2 0 343.515 3.105 20 0 EGADRP Cc1cccc(C)c1NC(=O)CN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814055 1317736048 /nfs/dbraw/zinc/73/60/48/1317736048.db2.gz JPMGXVRUWRNRFQ-QGZVFWFLSA-N 2 0 329.488 3.225 20 0 EGADRP c1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000903826262 1317737843 /nfs/dbraw/zinc/73/78/43/1317737843.db2.gz GWHXUIWKBKYIMN-UXHICEINSA-N 2 0 326.484 3.113 20 0 EGADRP COc1ccccc1N1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903830237 1317739266 /nfs/dbraw/zinc/73/92/66/1317739266.db2.gz WXHYSSOOELIEFF-YQQQUEKLSA-N 2 0 343.515 3.128 20 0 EGADRP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908600 1317746403 /nfs/dbraw/zinc/74/64/03/1317746403.db2.gz LWCZHOIQJGWNAQ-YBIHNIGNSA-N 2 0 330.447 3.251 20 0 EGADRP FC(F)(F)c1ccn(C2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000903902617 1317746575 /nfs/dbraw/zinc/74/65/75/1317746575.db2.gz KYUKSUKWUYBFLB-AGUYFDCRSA-N 2 0 342.409 3.069 20 0 EGADRP CCCCn1nc(C)c(CNC[C@@H]2CCCC[N@H+](C)C2)c1Cl ZINC000858245939 1328721164 /nfs/dbraw/zinc/72/11/64/1328721164.db2.gz ZADPGACAONNSTL-HNNXBMFYSA-N 2 0 326.916 3.467 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001020591484 1317792020 /nfs/dbraw/zinc/79/20/20/1317792020.db2.gz OVGUIRJORUBQCE-RDGPPVDQSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904342695 1317834132 /nfs/dbraw/zinc/83/41/32/1317834132.db2.gz NQSDKSBAAJJBMA-XLIONFOSSA-N 2 0 326.488 3.199 20 0 EGADRP COc1cccc([C@@H]([NH2+]C2CC(C[NH3+])C2)c2cc(F)ccc2OC)c1 ZINC000904364506 1317836003 /nfs/dbraw/zinc/83/60/03/1317836003.db2.gz YGPDDKCTJBORHM-VRGJXPMKSA-N 2 0 344.430 3.259 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809611460 1317844616 /nfs/dbraw/zinc/84/46/16/1317844616.db2.gz CXIHEZCSTWQCHG-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP COc1cccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1F ZINC000904458033 1317851073 /nfs/dbraw/zinc/85/10/73/1317851073.db2.gz ABESPKNNRNHGDG-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cnc1Cl ZINC000904476944 1317853348 /nfs/dbraw/zinc/85/33/48/1317853348.db2.gz VBPUJMLKRLBXRY-VQIMIIECSA-N 2 0 343.858 3.389 20 0 EGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2C[NH3+])c1 ZINC000904657753 1317877054 /nfs/dbraw/zinc/87/70/54/1317877054.db2.gz AZBQOYNRFJCPCZ-UHFFFAOYSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904667296 1317879259 /nfs/dbraw/zinc/87/92/59/1317879259.db2.gz VVGPNFXJWUKQRZ-GJZGRUSLSA-N 2 0 332.492 3.023 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000809738893 1317885036 /nfs/dbraw/zinc/88/50/36/1317885036.db2.gz NZPFGMFAWXLWMT-UHFFFAOYSA-N 2 0 349.482 3.351 20 0 EGADRP CC[N@H+](CCC[NH+]1CCCC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000809749872 1317890763 /nfs/dbraw/zinc/89/07/63/1317890763.db2.gz LJOTZRPTCBVIRT-UHFFFAOYSA-N 2 0 327.513 3.098 20 0 EGADRP C[NH+](C)Cc1cc(-c2ccc([C@@]3(O)CCC[NH2+]C3)cc2)ccc1F ZINC000904805562 1317900996 /nfs/dbraw/zinc/90/09/96/1317900996.db2.gz BYAGSZMCWCMGGZ-HXUWFJFHSA-N 2 0 328.431 3.125 20 0 EGADRP OCc1cc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000858316669 1328735676 /nfs/dbraw/zinc/73/56/76/1328735676.db2.gz GKLZUTMZGPUKJY-SFHVURJKSA-N 2 0 331.847 3.476 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCc2cn[nH]c2)cc1C[NH+]1CCCCC1 ZINC000810246818 1317985091 /nfs/dbraw/zinc/98/50/91/1317985091.db2.gz FGMKPGMPRWPSPT-INIZCTEOSA-N 2 0 342.487 3.298 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001021211284 1318142168 /nfs/dbraw/zinc/14/21/68/1318142168.db2.gz UNDZZRIUOWNNEO-NXEWRWPSSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCC2)CC[N@@H+]1C ZINC001021263428 1318162528 /nfs/dbraw/zinc/16/25/28/1318162528.db2.gz VQDCKEKYTNRBPY-MNIJEXPFSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000811486366 1318183496 /nfs/dbraw/zinc/18/34/96/1318183496.db2.gz HYPMLJZHOQTOHP-QGZVFWFLSA-N 2 0 341.540 3.390 20 0 EGADRP CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001021343673 1318198855 /nfs/dbraw/zinc/19/88/55/1318198855.db2.gz QJPWCQLBOXPZLQ-YQQQUEKLSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC000959928379 1318269082 /nfs/dbraw/zinc/26/90/82/1318269082.db2.gz YUABMCGFUHLNCY-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)C1CCC1 ZINC000960022960 1318316736 /nfs/dbraw/zinc/31/67/36/1318316736.db2.gz QEMADVXOWDRPPU-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)cs1 ZINC000960130980 1318372616 /nfs/dbraw/zinc/37/26/16/1318372616.db2.gz KURMXEFCUJRBGW-QAPCUYQASA-N 2 0 349.544 3.012 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637262 1318493970 /nfs/dbraw/zinc/49/39/70/1318493970.db2.gz ZUNMUYMAIYMASB-APWZRJJASA-N 2 0 340.471 3.061 20 0 EGADRP CCC[C@@H]1CN(c2cc[nH+]c(CO)c2)CC[N@@H+]1Cc1ccccc1 ZINC000858469521 1328770206 /nfs/dbraw/zinc/77/02/06/1328770206.db2.gz VRRBLCPMEKWEDL-HXUWFJFHSA-N 2 0 325.456 3.065 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000858491131 1328778387 /nfs/dbraw/zinc/77/83/87/1328778387.db2.gz YSPYKVCYNWJNMZ-XHSDSOJGSA-N 2 0 346.462 3.065 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001021906215 1318727235 /nfs/dbraw/zinc/72/72/35/1318727235.db2.gz JIPDDNVXYCAXOF-XDNAFOTISA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960630016 1318755988 /nfs/dbraw/zinc/75/59/88/1318755988.db2.gz VCPKRZVJTDUSMK-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960631026 1318756361 /nfs/dbraw/zinc/75/63/61/1318756361.db2.gz ZLDICYNDAMAKFD-RTBURBONSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960679790 1318789054 /nfs/dbraw/zinc/78/90/54/1318789054.db2.gz FZBORUMNNDIWQF-ZWKOTPCHSA-N 2 0 349.544 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001022164793 1318825502 /nfs/dbraw/zinc/82/55/02/1318825502.db2.gz PVACDQSJCZYXPP-WCIQWLHISA-N 2 0 343.515 3.249 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055427 1318874584 /nfs/dbraw/zinc/87/45/84/1318874584.db2.gz ABKHACURIYYBCH-SJLPKXTDSA-N 2 0 328.456 3.130 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022293712 1318881352 /nfs/dbraw/zinc/88/13/52/1318881352.db2.gz WHEPBKGVUORXKD-CEXWTWQISA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001022362574 1318905685 /nfs/dbraw/zinc/90/56/85/1318905685.db2.gz BAZPRUPJFZZBLX-CADBVGFASA-N 2 0 347.547 3.068 20 0 EGADRP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001022588377 1319006114 /nfs/dbraw/zinc/00/61/14/1319006114.db2.gz GQKJJGGTBSNNDX-NXSFLFKLSA-N 2 0 347.547 3.066 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001022838398 1319132261 /nfs/dbraw/zinc/13/22/61/1319132261.db2.gz MUAOQQUTKOJGDC-YRPNKDGESA-N 2 0 347.547 3.211 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000961031133 1319153676 /nfs/dbraw/zinc/15/36/76/1319153676.db2.gz IYMNMGMNYIJLPY-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001023084496 1319256594 /nfs/dbraw/zinc/25/65/94/1319256594.db2.gz QQBPTJGRGVVWAS-JOCLIGHLSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961157795 1319279536 /nfs/dbraw/zinc/27/95/36/1319279536.db2.gz OEZJLTLSGRZUHZ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231093 1319361723 /nfs/dbraw/zinc/36/17/23/1319361723.db2.gz PLRNOEAFNZWLHD-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253639 1319399598 /nfs/dbraw/zinc/39/95/98/1319399598.db2.gz RFLGWBONFPCNMG-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP Clc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000817892915 1319452721 /nfs/dbraw/zinc/45/27/21/1319452721.db2.gz WULPNEFACCLVLN-YJBOKZPZSA-N 2 0 329.831 3.081 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902717 1319456815 /nfs/dbraw/zinc/45/68/15/1319456815.db2.gz XTVMRQMQJVYBQL-GJZGRUSLSA-N 2 0 329.257 3.380 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817917933 1319459426 /nfs/dbraw/zinc/45/94/26/1319459426.db2.gz VOJQARFIGOXGHK-SUYBPPKGSA-N 2 0 328.859 3.413 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817947849 1319473129 /nfs/dbraw/zinc/47/31/29/1319473129.db2.gz CSGQJGNOIHOKFP-IEBWSBKVSA-N 2 0 332.488 3.180 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023364350 1319475845 /nfs/dbraw/zinc/47/58/45/1319475845.db2.gz JKGXHOCKFSFBSV-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023364621 1319476597 /nfs/dbraw/zinc/47/65/97/1319476597.db2.gz NBGHBSUIAXODLV-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023364883 1319476877 /nfs/dbraw/zinc/47/68/77/1319476877.db2.gz RXUXKYYRHTZEQJ-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1Cn1cccn1 ZINC000817958985 1319477868 /nfs/dbraw/zinc/47/78/68/1319477868.db2.gz AALOVWRPPVLPQZ-IEZWGBDMSA-N 2 0 342.487 3.108 20 0 EGADRP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817966439 1319479273 /nfs/dbraw/zinc/47/92/73/1319479273.db2.gz NYTUNENPIQEAKD-FRQCXROJSA-N 2 0 339.524 3.144 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)ccc1OC ZINC000817968444 1319480649 /nfs/dbraw/zinc/48/06/49/1319480649.db2.gz UIUHWQBVQVQVFN-INIZCTEOSA-N 3 0 331.504 3.107 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023402839 1319508986 /nfs/dbraw/zinc/50/89/86/1319508986.db2.gz UPQVXLZYMUPYKZ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000818233258 1319524215 /nfs/dbraw/zinc/52/42/15/1319524215.db2.gz FKCXNJVAPOENSZ-YYIAUSFCSA-N 2 0 337.508 3.039 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000961375765 1319531172 /nfs/dbraw/zinc/53/11/72/1319531172.db2.gz XGBIYWPMYAHJRP-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001023446480 1319545352 /nfs/dbraw/zinc/54/53/52/1319545352.db2.gz QJLVKZXHUKBISO-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001023446568 1319545584 /nfs/dbraw/zinc/54/55/84/1319545584.db2.gz RXPOOUATZUBHKU-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC=C(C)C)C2)CC1)[NH+](C)C ZINC000961410766 1319566502 /nfs/dbraw/zinc/56/65/02/1319566502.db2.gz IMZGIEBPCRYSSV-PMACEKPBSA-N 2 0 349.563 3.243 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000818954164 1319587666 /nfs/dbraw/zinc/58/76/66/1319587666.db2.gz SUJIJFBCLJPPPZ-FQEVSTJZSA-N 2 0 328.431 3.245 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818962714 1319593813 /nfs/dbraw/zinc/59/38/13/1319593813.db2.gz WIZIGPHLWLMAMA-FQEVSTJZSA-N 2 0 330.447 3.489 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000818967037 1319595110 /nfs/dbraw/zinc/59/51/10/1319595110.db2.gz QFWGWTXTCXUWPI-WBMJQRKESA-N 2 0 331.287 3.348 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C[NH+]1CCCCC1 ZINC000818969671 1319597525 /nfs/dbraw/zinc/59/75/25/1319597525.db2.gz RURGGUAVJIDVNX-CXAGYDPISA-N 2 0 328.859 3.224 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000818984888 1319604630 /nfs/dbraw/zinc/60/46/30/1319604630.db2.gz MJYJSSGKFURXDO-RHSMWYFYSA-N 2 0 344.421 3.449 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508183 1319617981 /nfs/dbraw/zinc/61/79/81/1319617981.db2.gz KNEUFYQZOGKGAV-GOSISDBHSA-N 2 0 345.531 3.033 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819366005 1319710219 /nfs/dbraw/zinc/71/02/19/1319710219.db2.gz GMQCIODVXKDUAR-MLGOLLRUSA-N 2 0 331.287 3.348 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961829051 1319743227 /nfs/dbraw/zinc/74/32/27/1319743227.db2.gz NBLFTOHEVMABOY-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632256 1319752400 /nfs/dbraw/zinc/75/24/00/1319752400.db2.gz IDTKPZURVXEGAS-RBUKOAKNSA-N 2 0 335.536 3.044 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000917394904 1319799648 /nfs/dbraw/zinc/79/96/48/1319799648.db2.gz WMTXIEYSRXQBIZ-IBGZPJMESA-N 2 0 337.511 3.469 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000962215866 1319861720 /nfs/dbraw/zinc/86/17/20/1319861720.db2.gz DZSMZQSBALFLOY-AVAKVYKDSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000820445584 1319890439 /nfs/dbraw/zinc/89/04/39/1319890439.db2.gz GEADBKZINQQRFB-KRWDZBQOSA-N 2 0 331.504 3.105 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000917998396 1319901967 /nfs/dbraw/zinc/90/19/67/1319901967.db2.gz KJOPXILWCBMBSZ-HNNXBMFYSA-N 2 0 340.496 3.494 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762179 1319907212 /nfs/dbraw/zinc/90/72/12/1319907212.db2.gz SNEKGPDZPQJQRY-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023762551 1319908758 /nfs/dbraw/zinc/90/87/58/1319908758.db2.gz ZSHYNJRQSBTEDM-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000962304633 1319909291 /nfs/dbraw/zinc/90/92/91/1319909291.db2.gz AECCPDPBUOBWJC-IPJUCJBFSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962385561 1319945184 /nfs/dbraw/zinc/94/51/84/1319945184.db2.gz QNAMUHJUFMIOQS-KVZIAJEVSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@@H](C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000962385570 1319945527 /nfs/dbraw/zinc/94/55/27/1319945527.db2.gz QWJHTXKWMOTNSD-KKXNLOMOSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000820806729 1319955372 /nfs/dbraw/zinc/95/53/72/1319955372.db2.gz PRSGKGHYFGKPJV-AWEZNQCLSA-N 2 0 326.444 3.090 20 0 EGADRP ClC1(Cl)C[C@@H]1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822660234 1320109694 /nfs/dbraw/zinc/10/96/94/1320109694.db2.gz ZWXKWAVGQRZNBL-AWEZNQCLSA-N 2 0 335.319 3.147 20 0 EGADRP CC(C)(C)OC(=O)NCCC1CC([NH2+][C@H]2CCN(C(C)(C)C)C2)C1 ZINC000826872403 1320411097 /nfs/dbraw/zinc/41/10/97/1320411097.db2.gz MBKPDWFOSMVKBZ-PCKAHOCUSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1F ZINC000837455039 1320620739 /nfs/dbraw/zinc/62/07/39/1320620739.db2.gz FWPALWGKKHRISI-UHFFFAOYSA-N 2 0 333.451 3.090 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]1SC ZINC000838971115 1320845142 /nfs/dbraw/zinc/84/51/42/1320845142.db2.gz NVMHRTJBQGKXJV-NHHFINERSA-N 2 0 326.550 3.282 20 0 EGADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cc[nH+]1 ZINC000838985133 1320846947 /nfs/dbraw/zinc/84/69/47/1320846947.db2.gz SYFXIUMKZWBIIN-ZACQAIPSSA-N 2 0 335.542 3.020 20 0 EGADRP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000839606905 1320944453 /nfs/dbraw/zinc/94/44/53/1320944453.db2.gz CQDNEZNYIVIWOV-GOSISDBHSA-N 2 0 330.472 3.198 20 0 EGADRP c1cn(C2CC2)c(NCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]1 ZINC000840887672 1321171249 /nfs/dbraw/zinc/17/12/49/1321171249.db2.gz SRHAXOYPBORLQT-UHFFFAOYSA-N 2 0 326.444 3.305 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000841006428 1321198559 /nfs/dbraw/zinc/19/85/59/1321198559.db2.gz KMAXRHYPHPMYJM-ZRGWGRIASA-N 2 0 336.907 3.474 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000841032123 1321204344 /nfs/dbraw/zinc/20/43/44/1321204344.db2.gz MEFNNQVNZKOSAY-GCJKJVERSA-N 2 0 337.511 3.331 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000841081988 1321215251 /nfs/dbraw/zinc/21/52/51/1321215251.db2.gz GNYVEVKGIUIYOZ-KLHDSHLOSA-N 2 0 346.462 3.098 20 0 EGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000843103776 1321470282 /nfs/dbraw/zinc/47/02/82/1321470282.db2.gz CJDNMRVGAZWNEV-UHFFFAOYSA-N 2 0 341.455 3.029 20 0 EGADRP [NH3+]C[C@@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)c1ccccc1 ZINC000843181488 1321482824 /nfs/dbraw/zinc/48/28/24/1321482824.db2.gz CWADWNDFFLFPPF-LJQANCHMSA-N 2 0 348.450 3.423 20 0 EGADRP C[NH2+]C[C@@H](C)c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000843201291 1321486531 /nfs/dbraw/zinc/48/65/31/1321486531.db2.gz YUAPGYXETDOJPI-OAHLLOKOSA-N 2 0 328.460 3.291 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCCCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000843342316 1321501960 /nfs/dbraw/zinc/50/19/60/1321501960.db2.gz JWADUDIDFRIRQM-ZDUSSCGKSA-N 2 0 335.883 3.399 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000843339798 1321502000 /nfs/dbraw/zinc/50/20/00/1321502000.db2.gz DGPUHJSZWZEUFO-GKSGUAPZSA-N 2 0 329.271 3.005 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1SC(F)(F)F ZINC000843345122 1321502601 /nfs/dbraw/zinc/50/26/01/1321502601.db2.gz UGVUMJSLQCMTEJ-UHFFFAOYSA-N 2 0 334.407 3.478 20 0 EGADRP CCC[N@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)C1CC[NH2+]CC1 ZINC000843360696 1321505983 /nfs/dbraw/zinc/50/59/83/1321505983.db2.gz JMVDTJXHFNDFQQ-UHFFFAOYSA-N 2 0 328.456 3.374 20 0 EGADRP COc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1SC(F)(F)F ZINC000843362892 1321507078 /nfs/dbraw/zinc/50/70/78/1321507078.db2.gz UIBOTWRBGIHHAK-JQWIXIFHSA-N 2 0 334.407 3.476 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378291 1321508388 /nfs/dbraw/zinc/50/83/88/1321508388.db2.gz ZGQUBHCDMXQBFR-JKSUJKDBSA-N 2 0 325.456 3.228 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000846220551 1321777260 /nfs/dbraw/zinc/77/72/60/1321777260.db2.gz KPFVHJJMTIIYNY-MRXNPFEDSA-N 2 0 328.403 3.180 20 0 EGADRP [NH3+]CCCCCC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000846218130 1321777798 /nfs/dbraw/zinc/77/77/98/1321777798.db2.gz LWNDHLJZSOGAPU-UHFFFAOYSA-N 2 0 327.476 3.170 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(/C=C\C(=O)OC)o2)c1 ZINC000848894340 1322033368 /nfs/dbraw/zinc/03/33/68/1322033368.db2.gz CWVSNPIRUARUAU-KHPPLWFESA-N 2 0 342.439 3.207 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000848910292 1322042785 /nfs/dbraw/zinc/04/27/85/1322042785.db2.gz HUUVRXQEDGHWHM-FQEVSTJZSA-N 2 0 329.532 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083963 1322072059 /nfs/dbraw/zinc/07/20/59/1322072059.db2.gz REWHGLWPBSYBOH-ZDUSSCGKSA-N 2 0 344.381 3.396 20 0 EGADRP CCCC1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000849089053 1322074077 /nfs/dbraw/zinc/07/40/77/1322074077.db2.gz MQCIONJXNWYVGF-UHFFFAOYSA-N 2 0 328.504 3.345 20 0 EGADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849091864 1322075672 /nfs/dbraw/zinc/07/56/72/1322075672.db2.gz NGSFMEAEIZUSLQ-UHFFFAOYSA-N 2 0 330.398 3.098 20 0 EGADRP CCc1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC000849102116 1322078870 /nfs/dbraw/zinc/07/88/70/1322078870.db2.gz XEEXFZGBECDCFV-UHFFFAOYSA-N 2 0 332.492 3.075 20 0 EGADRP CC[NH+]1CCC(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000849107224 1322080838 /nfs/dbraw/zinc/08/08/38/1322080838.db2.gz BDFZMMHEQWTEDU-UHFFFAOYSA-N 2 0 344.381 3.253 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)CCCC[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000920767764 1322220233 /nfs/dbraw/zinc/22/02/33/1322220233.db2.gz FYJVNBPUCUTOOR-HXUWFJFHSA-N 2 0 345.531 3.234 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)c1OC ZINC000850419881 1322244506 /nfs/dbraw/zinc/24/45/06/1322244506.db2.gz ILBFSMOFPZSSCP-UHFFFAOYSA-N 2 0 332.488 3.224 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000850433292 1322248580 /nfs/dbraw/zinc/24/85/80/1322248580.db2.gz HSFHNQWSUJHGCI-UHFFFAOYSA-N 2 0 339.524 3.290 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000850447155 1322251617 /nfs/dbraw/zinc/25/16/17/1322251617.db2.gz HQNAQQYHNAURRJ-AOCRQIFASA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000850558816 1322267677 /nfs/dbraw/zinc/26/76/77/1322267677.db2.gz XHBSVPNKWXGVIP-ZBEGNZNMSA-N 2 0 331.287 3.347 20 0 EGADRP C[C@@H]1Cc2cc(C[NH2+]Cc3cccc(OCC[NH+](C)C)c3)ccc2O1 ZINC000921545304 1322347585 /nfs/dbraw/zinc/34/75/85/1322347585.db2.gz FGGYCBFHJCCRNP-MRXNPFEDSA-N 2 0 340.467 3.240 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)[C@H](C)C1 ZINC000921748646 1322391360 /nfs/dbraw/zinc/39/13/60/1322391360.db2.gz ZAVONHSMQOFKAS-HLIPFELVSA-N 2 0 346.515 3.237 20 0 EGADRP c1nn(C2CCC2)cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000921961514 1322430569 /nfs/dbraw/zinc/43/05/69/1322430569.db2.gz PUBGMJVDWLYTCW-UHFFFAOYSA-N 2 0 325.460 3.009 20 0 EGADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922389828 1322515952 /nfs/dbraw/zinc/51/59/52/1322515952.db2.gz XHWZRTKTLVSFKX-YRXWBPOGSA-N 2 0 336.907 3.218 20 0 EGADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389392 1322516172 /nfs/dbraw/zinc/51/61/72/1322516172.db2.gz UDLJTNWJTVNVHQ-CGXNFDGLSA-N 2 0 346.515 3.043 20 0 EGADRP CC[NH2+]CC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923293927 1322727428 /nfs/dbraw/zinc/72/74/28/1322727428.db2.gz AUGUFUXLOWATAR-NRFANRHFSA-N 2 0 326.484 3.065 20 0 EGADRP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923322144 1322733998 /nfs/dbraw/zinc/73/39/98/1322733998.db2.gz JWHBSIKUXLBGRN-RAFMOHDBSA-N 2 0 330.520 3.275 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923364059 1322740701 /nfs/dbraw/zinc/74/07/01/1322740701.db2.gz GMHIAMVMPCUGOV-YADHBBJMSA-N 2 0 338.495 3.207 20 0 EGADRP C(C[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1)C1CC[NH2+]CC1 ZINC000923439800 1322752026 /nfs/dbraw/zinc/75/20/26/1322752026.db2.gz JDVSXTGBADWJBZ-UHFFFAOYSA-N 2 0 333.545 3.276 20 0 EGADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923483573 1322759558 /nfs/dbraw/zinc/75/95/58/1322759558.db2.gz CQTDOZXDKLKFLO-PXNSSMCTSA-N 2 0 337.467 3.346 20 0 EGADRP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481853 1322760051 /nfs/dbraw/zinc/76/00/51/1322760051.db2.gz MUJBRRLJDRAMSF-JSGCOSHPSA-N 2 0 334.851 3.046 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000923486137 1322760934 /nfs/dbraw/zinc/76/09/34/1322760934.db2.gz NOIZKYGQLACJFK-YESZJQIVSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)c1cccs1 ZINC000923504488 1322764950 /nfs/dbraw/zinc/76/49/50/1322764950.db2.gz YXDZSTWKBHHSHD-CVEARBPZSA-N 2 0 349.544 3.027 20 0 EGADRP Cc1nc2ccccn2c1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508512 1322765492 /nfs/dbraw/zinc/76/54/92/1322765492.db2.gz WHPKLPUBCPHMBO-QGZVFWFLSA-N 2 0 326.488 3.244 20 0 EGADRP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923525992 1322769784 /nfs/dbraw/zinc/76/97/84/1322769784.db2.gz MKOGSIIRFQHMDM-CJNGLKHVSA-N 2 0 340.920 3.320 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CC[N@@H+]3C3CCCC3)n2)cc1 ZINC000923780420 1322808120 /nfs/dbraw/zinc/80/81/20/1322808120.db2.gz KOEFLNNIBPHQMM-QGZVFWFLSA-N 2 0 326.444 3.488 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001024018475 1323081128 /nfs/dbraw/zinc/08/11/28/1323081128.db2.gz ORHLITFKSCCZDU-MSOLQXFVSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024024396 1323081603 /nfs/dbraw/zinc/08/16/03/1323081603.db2.gz ZVOYNLRTLVYKNM-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1coc2ccccc21)N1CC[NH+](C)CC1 ZINC000924630271 1323084255 /nfs/dbraw/zinc/08/42/55/1323084255.db2.gz AGUBIXDPIWRCSL-QFBILLFUSA-N 2 0 329.488 3.355 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000924674813 1323107338 /nfs/dbraw/zinc/10/73/38/1323107338.db2.gz NPBBBGRKBNXDMW-XLIONFOSSA-N 2 0 343.515 3.065 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000852008199 1323130756 /nfs/dbraw/zinc/13/07/56/1323130756.db2.gz URZUVJAWFMFOBA-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000924720213 1323132152 /nfs/dbraw/zinc/13/21/52/1323132152.db2.gz HEKMSSWNKHFFHF-FTRWYGJKSA-N 2 0 349.494 3.103 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000924720215 1323132261 /nfs/dbraw/zinc/13/22/61/1323132261.db2.gz HEKMSSWNKHFFHF-QINHECLXSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001024118748 1323148135 /nfs/dbraw/zinc/14/81/35/1323148135.db2.gz KAPWSZZUTSDPBS-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001024118747 1323148402 /nfs/dbraw/zinc/14/84/02/1323148402.db2.gz KAPWSZZUTSDPBS-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924817011 1323175117 /nfs/dbraw/zinc/17/51/17/1323175117.db2.gz HAHFZXMIKDOQCY-INIZCTEOSA-N 2 0 339.483 3.349 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024157317 1323179909 /nfs/dbraw/zinc/17/99/09/1323179909.db2.gz ZBNHLBZCHVVUIN-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CCCC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924852099 1323187973 /nfs/dbraw/zinc/18/79/73/1323187973.db2.gz DFHBRPWZBTYEJD-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024232376 1323221182 /nfs/dbraw/zinc/22/11/82/1323221182.db2.gz PYGQNJVVBFUEAQ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024236251 1323222631 /nfs/dbraw/zinc/22/26/31/1323222631.db2.gz IGRDUXRASHJBFC-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024278723 1323256873 /nfs/dbraw/zinc/25/68/73/1323256873.db2.gz SGWLWIBJLRXPPY-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc3c2OCO3)[C@H](C)C1 ZINC000925077390 1323267696 /nfs/dbraw/zinc/26/76/96/1323267696.db2.gz GZBDCHFXBVRKRI-RYRKJORJSA-N 2 0 348.487 3.203 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000853106127 1323284840 /nfs/dbraw/zinc/28/48/40/1323284840.db2.gz QUIOWSQUAUKWJJ-PZJWPPBQSA-N 2 0 339.483 3.007 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001024366699 1323339725 /nfs/dbraw/zinc/33/97/25/1323339725.db2.gz UTHUIZWOATYUQX-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024366610 1323340592 /nfs/dbraw/zinc/34/05/92/1323340592.db2.gz UBVGGHIXANJUFY-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024437642 1323398651 /nfs/dbraw/zinc/39/86/51/1323398651.db2.gz UKFJWWYOMWKSRX-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479275 1323433288 /nfs/dbraw/zinc/43/32/88/1323433288.db2.gz DJNGZOUOFUZXIC-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC1CCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479732 1323433683 /nfs/dbraw/zinc/43/36/83/1323433683.db2.gz OHMIDTDROYUEEA-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024514127 1323463103 /nfs/dbraw/zinc/46/31/03/1323463103.db2.gz VXALTXUFGUHNNB-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)cs1 ZINC001024513440 1323464083 /nfs/dbraw/zinc/46/40/83/1323464083.db2.gz QAWYCISGWHNLKC-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024514136 1323465379 /nfs/dbraw/zinc/46/53/79/1323465379.db2.gz VZDHYAXRVKKPQV-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCCC2)CC[N@@H+]1C ZINC001024620073 1323546941 /nfs/dbraw/zinc/54/69/41/1323546941.db2.gz MWQHPHHJGDTRGJ-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737629 1323638166 /nfs/dbraw/zinc/63/81/66/1323638166.db2.gz KPNPOCLDWSLCAQ-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCCCC2)C1 ZINC001024803278 1323705850 /nfs/dbraw/zinc/70/58/50/1323705850.db2.gz GQZAPERIPOKGFC-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024814020 1323714978 /nfs/dbraw/zinc/71/49/78/1323714978.db2.gz MATKNWORTLQKCS-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@@H]2C1 ZINC000931433359 1329116910 /nfs/dbraw/zinc/11/69/10/1329116910.db2.gz ZFAITTGLRHKENS-CABCVRRESA-N 2 0 331.847 3.379 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)c1 ZINC001025167657 1323935797 /nfs/dbraw/zinc/93/57/97/1323935797.db2.gz KLXIMCSRFYUYBF-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025168399 1323936808 /nfs/dbraw/zinc/93/68/08/1323936808.db2.gz BXKLHYANEPDHCR-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1c(Cl)c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)nc2ccccc12 ZINC000931486294 1329128501 /nfs/dbraw/zinc/12/85/01/1329128501.db2.gz BGKBGBDUZGFLLC-UHFFFAOYSA-N 2 0 347.890 3.085 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025257814 1324064077 /nfs/dbraw/zinc/06/40/77/1324064077.db2.gz ACVQMFZCIDXFFY-PMACEKPBSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275072 1324094418 /nfs/dbraw/zinc/09/44/18/1324094418.db2.gz RYZNRSAAJGYDNI-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300968 1324134516 /nfs/dbraw/zinc/13/45/16/1324134516.db2.gz GQDVGKQXSMNKHV-MOPGFXCFSA-N 2 0 335.536 3.118 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001025465943 1324310532 /nfs/dbraw/zinc/31/05/32/1324310532.db2.gz XCBSFHLYMLGKQR-RDJZCZTQSA-N 2 0 342.487 3.129 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001026548408 1324885144 /nfs/dbraw/zinc/88/51/44/1324885144.db2.gz YSOHPAGAABYVPT-QLOJAFMTSA-N 2 0 347.547 3.211 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001026593676 1324918465 /nfs/dbraw/zinc/91/84/65/1324918465.db2.gz ZVZAEEFHIVQUBH-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026887674 1325063069 /nfs/dbraw/zinc/06/30/69/1325063069.db2.gz SZHLOOYWSVLGOQ-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000925241753 1325092511 /nfs/dbraw/zinc/09/25/11/1325092511.db2.gz SGJDYXVNWHGQCE-TZIWHRDSSA-N 2 0 341.499 3.426 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CN2CC[C@H](C3CCCCC3)C2=O)CC1 ZINC000853496735 1325105786 /nfs/dbraw/zinc/10/57/86/1325105786.db2.gz JUWBJIAWQJJTBK-HXUWFJFHSA-N 2 0 349.563 3.425 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1(Br)CC1 ZINC000925300664 1325117583 /nfs/dbraw/zinc/11/75/83/1325117583.db2.gz NYNSFHGWHAYHQZ-CYBMUJFWSA-N 2 0 338.293 3.204 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000925301451 1325118811 /nfs/dbraw/zinc/11/88/11/1325118811.db2.gz XAQDPCSFUBXOHM-UHFFFAOYSA-N 3 0 344.547 3.398 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cccc(C[NH+](C)C)c1 ZINC000925409780 1325143189 /nfs/dbraw/zinc/14/31/89/1325143189.db2.gz WZMAMGHKLWBSMM-OAHLLOKOSA-N 2 0 326.440 3.370 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963359017 1325155261 /nfs/dbraw/zinc/15/52/61/1325155261.db2.gz ZWKCCMJOWWPADW-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccccc1 ZINC000925493277 1325175207 /nfs/dbraw/zinc/17/52/07/1325175207.db2.gz JTIUMBDRLMJXHS-LJQANCHMSA-N 2 0 339.439 3.213 20 0 EGADRP CC(=O)Nc1ccc(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925494920 1325176432 /nfs/dbraw/zinc/17/64/32/1325176432.db2.gz VWSIYNNIJNPWHM-FQEVSTJZSA-N 2 0 325.456 3.257 20 0 EGADRP c1ccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc1 ZINC000925495289 1325176970 /nfs/dbraw/zinc/17/69/70/1325176970.db2.gz TWYCLIJLRYKVEG-FCHUYYIVSA-N 2 0 341.543 3.409 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506094 1325181858 /nfs/dbraw/zinc/18/18/58/1325181858.db2.gz XMGQDKJIHXVWQH-QFIDOLFYSA-N 2 0 327.516 3.331 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)[NH2+]2 ZINC000925513440 1325185661 /nfs/dbraw/zinc/18/56/61/1325185661.db2.gz JXWIPDSLASCLPM-YGBSJELFSA-N 2 0 347.934 3.423 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000925541763 1325200290 /nfs/dbraw/zinc/20/02/90/1325200290.db2.gz MVBDOGDIRZTBHJ-JXFKEZNVSA-N 2 0 343.515 3.332 20 0 EGADRP Fc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1-n1ccnc1 ZINC000925566772 1325212912 /nfs/dbraw/zinc/21/29/12/1325212912.db2.gz GCTDKVGOMSSTJP-MJGOQNOKSA-N 2 0 342.462 3.269 20 0 EGADRP Cc1nonc1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925617571 1325232935 /nfs/dbraw/zinc/23/29/35/1325232935.db2.gz XJSGNUGHVKKKBW-RLFYNMQTSA-N 2 0 328.460 3.329 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426407 1325233906 /nfs/dbraw/zinc/23/39/06/1325233906.db2.gz AHQLDONPQMVHTN-PMACEKPBSA-N 2 0 349.563 3.366 20 0 EGADRP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631101 1325239532 /nfs/dbraw/zinc/23/95/32/1325239532.db2.gz UQPNCRKRJALJHQ-KBRIMQKVSA-N 2 0 339.886 3.202 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)C12CCC2 ZINC000925642559 1325244557 /nfs/dbraw/zinc/24/45/57/1325244557.db2.gz HPVNWKRZAMUTOJ-DAXOMENPSA-N 2 0 339.405 3.144 20 0 EGADRP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C1(C)C)c1cccc(C(F)(F)F)c1 ZINC000925644143 1325245055 /nfs/dbraw/zinc/24/50/55/1325245055.db2.gz YLITWPGBVJKEHU-HUUCEWRRSA-N 2 0 329.410 3.038 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925664787 1325254248 /nfs/dbraw/zinc/25/42/48/1325254248.db2.gz ATPYFDYFDWGTRX-ZWKOTPCHSA-N 3 0 345.531 3.155 20 0 EGADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925705472 1325265425 /nfs/dbraw/zinc/26/54/25/1325265425.db2.gz CDQCGPWFPMMPFQ-UWHLTILDSA-N 2 0 328.500 3.317 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000925774347 1325293664 /nfs/dbraw/zinc/29/36/64/1325293664.db2.gz UQISOBFJULJTAP-XOKHGSTOSA-N 2 0 343.298 3.283 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963564047 1325321879 /nfs/dbraw/zinc/32/18/79/1325321879.db2.gz MJWFSNCWHZWGQA-MHJFOBGBSA-N 2 0 347.547 3.330 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(C)c1OC ZINC000925876786 1325339444 /nfs/dbraw/zinc/33/94/44/1325339444.db2.gz IGKMACPXVKPVQS-ROUUACIJSA-N 2 0 332.488 3.270 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)[C@]12CCCO2 ZINC000926166981 1325455468 /nfs/dbraw/zinc/45/54/68/1325455468.db2.gz XSWNUJXXPZNIDH-KCUHQSDYSA-N 2 0 332.488 3.125 20 0 EGADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000964184451 1325484995 /nfs/dbraw/zinc/48/49/95/1325484995.db2.gz FDYGYUZJTHWKLQ-HDYDNRTBSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926416529 1325546978 /nfs/dbraw/zinc/54/69/78/1325546978.db2.gz BOZRHALMCZPKEU-GYCJOSAFSA-N 2 0 344.524 3.478 20 0 EGADRP CC(C)[C@H](CO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926420477 1325547446 /nfs/dbraw/zinc/54/74/46/1325547446.db2.gz JBHADCIJBDDXAK-UDEWTMQYSA-N 2 0 330.516 3.426 20 0 EGADRP CON1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000926468020 1325564988 /nfs/dbraw/zinc/56/49/88/1325564988.db2.gz DNDFCKZGRHNBQC-SEJPIABJSA-N 2 0 343.515 3.188 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnnn1-c1ccccc1 ZINC000926488103 1325573131 /nfs/dbraw/zinc/57/31/31/1325573131.db2.gz SZCLPJYECGWXOI-KRWDZBQOSA-N 2 0 327.476 3.184 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926496945 1325576084 /nfs/dbraw/zinc/57/60/84/1325576084.db2.gz BQISVGHPSORRSJ-YWZLYKJASA-N 2 0 330.447 3.142 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857147070 1325582436 /nfs/dbraw/zinc/58/24/36/1325582436.db2.gz XYTYYBPHCHNGGZ-UFYCRDLUSA-N 2 0 343.515 3.098 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027408247 1327634082 /nfs/dbraw/zinc/63/40/82/1327634082.db2.gz LVKDLNONVNWRJQ-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027408246 1327634239 /nfs/dbraw/zinc/63/42/39/1327634239.db2.gz LVKDLNONVNWRJQ-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027438861 1327679098 /nfs/dbraw/zinc/67/90/98/1327679098.db2.gz VVRGRGDAJFHUQD-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449051 1327690326 /nfs/dbraw/zinc/69/03/26/1327690326.db2.gz PXOVKTGPBKQGOI-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926739512 1327692815 /nfs/dbraw/zinc/69/28/15/1327692815.db2.gz UECFETPGMLMTKA-WMZOPIPTSA-N 2 0 339.487 3.040 20 0 EGADRP COc1cccc([C@@H](C[NH2+]C2CC[NH+](CCC(C)C)CC2)OC)c1 ZINC000926742308 1327694475 /nfs/dbraw/zinc/69/44/75/1327694475.db2.gz WRGJUVZUYJXTBY-HXUWFJFHSA-N 2 0 334.504 3.483 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027464429 1327713415 /nfs/dbraw/zinc/71/34/15/1327713415.db2.gz GFYYRZAMSOEWHD-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP Cc1nonc1[C@@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000926786142 1327717320 /nfs/dbraw/zinc/71/73/20/1327717320.db2.gz CIQDLFNMFRLLQJ-OAHLLOKOSA-N 2 0 328.460 3.331 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000927065673 1327837690 /nfs/dbraw/zinc/83/76/90/1327837690.db2.gz IYKPSALGPSNIIQ-JXFKEZNVSA-N 2 0 344.503 3.408 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000927100568 1327862168 /nfs/dbraw/zinc/86/21/68/1327862168.db2.gz YPPDPNHUKGOZJS-OAHLLOKOSA-N 2 0 342.487 3.089 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC001027628452 1327992545 /nfs/dbraw/zinc/99/25/45/1327992545.db2.gz BNHPAELESHNZOP-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650928 1328032412 /nfs/dbraw/zinc/03/24/12/1328032412.db2.gz KGTWUOLLXPFUCO-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680695 1328078121 /nfs/dbraw/zinc/07/81/21/1328078121.db2.gz JCKCVQBLAALVOS-RBUKOAKNSA-N 2 0 343.515 3.075 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681233 1328078186 /nfs/dbraw/zinc/07/81/86/1328078186.db2.gz RZIKYYAYOFXRGL-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001027694549 1328100588 /nfs/dbraw/zinc/10/05/88/1328100588.db2.gz CHHGNGHYCGTNDR-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027918813 1328398387 /nfs/dbraw/zinc/39/83/87/1328398387.db2.gz QIHHNYDVUIMIJJ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027986311 1328457683 /nfs/dbraw/zinc/45/76/83/1328457683.db2.gz URMYUPRPIUFIAZ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001027991594 1328460050 /nfs/dbraw/zinc/46/00/50/1328460050.db2.gz HBQWLASUHVTYRA-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000865716642 1329732170 /nfs/dbraw/zinc/73/21/70/1329732170.db2.gz CIHHXAADJRQING-UHFFFAOYSA-N 2 0 332.414 3.046 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000939257207 1330414400 /nfs/dbraw/zinc/41/44/00/1330414400.db2.gz KZESJHHKRBGTIR-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000939396444 1330430726 /nfs/dbraw/zinc/43/07/26/1330430726.db2.gz IWHVDWBNLBSYGT-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)CC1(C)C ZINC000940625867 1331131012 /nfs/dbraw/zinc/13/10/12/1331131012.db2.gz WBIFHQCIWMGTBZ-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942101712 1331830335 /nfs/dbraw/zinc/83/03/35/1331830335.db2.gz SPVSKFBGGWRSFQ-PBHICJAKSA-N 2 0 349.544 3.050 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102369 1331830995 /nfs/dbraw/zinc/83/09/95/1331830995.db2.gz XVPBETRSECRWBB-DOTOQJQBSA-N 2 0 349.544 3.216 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557862 1331972672 /nfs/dbraw/zinc/97/26/72/1331972672.db2.gz OABNJLKAHQQQKZ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C[C@@H]2C)CC1 ZINC000943755715 1332254576 /nfs/dbraw/zinc/25/45/76/1332254576.db2.gz HOPJUCOUXLBYHM-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089049 1332496838 /nfs/dbraw/zinc/49/68/38/1332496838.db2.gz DSXBNMBUUIJQRJ-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]2CC1)[NH+](C)C ZINC000946642339 1332868841 /nfs/dbraw/zinc/86/88/41/1332868841.db2.gz FRKKMAMIBJRAOD-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC000947361601 1333103498 /nfs/dbraw/zinc/10/34/98/1333103498.db2.gz PXCCMBOQOUKMNB-RHSMWYFYSA-N 2 0 349.544 3.193 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCCC1CCC1 ZINC000947493059 1333146206 /nfs/dbraw/zinc/14/62/06/1333146206.db2.gz PSTSPMKHZXLNIB-MJGOQNOKSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CC1CCCC1 ZINC000947506044 1333149664 /nfs/dbraw/zinc/14/96/64/1333149664.db2.gz JEMCWYLQCXCCFQ-MAUKXSAKSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000947614859 1333193271 /nfs/dbraw/zinc/19/32/71/1333193271.db2.gz AZEWFQVELMHATN-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC000947616658 1333193884 /nfs/dbraw/zinc/19/38/84/1333193884.db2.gz RATPHOYRZQYTRE-WBVHZDCISA-N 2 0 349.544 3.092 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CCC1CC1 ZINC000947801355 1333265703 /nfs/dbraw/zinc/26/57/03/1333265703.db2.gz MSNKQAQAXXQGSI-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947907364 1333301226 /nfs/dbraw/zinc/30/12/26/1333301226.db2.gz GZFJUGBWRBLIOL-FXAWDEMLSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948064290 1333360310 /nfs/dbraw/zinc/36/03/10/1333360310.db2.gz AKCANKFOHJXPLZ-HKUYNNGSSA-N 2 0 345.531 3.377 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948439304 1333525651 /nfs/dbraw/zinc/52/56/51/1333525651.db2.gz MHHXEWPYIFIVAI-ICSRJNTNSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593430 1333588200 /nfs/dbraw/zinc/58/82/00/1333588200.db2.gz DUMNXSJKBSGHOI-RDJZCZTQSA-N 2 0 346.450 3.009 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948711368 1333642981 /nfs/dbraw/zinc/64/29/81/1333642981.db2.gz OVNHKZHXGONURH-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948775373 1333673466 /nfs/dbraw/zinc/67/34/66/1333673466.db2.gz HALVTHHEBGENES-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829163 1333701054 /nfs/dbraw/zinc/70/10/54/1333701054.db2.gz FWMYSDBUTCLYBG-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829515 1333701543 /nfs/dbraw/zinc/70/15/43/1333701543.db2.gz PBWSKWPAHZTOQX-OALUTQOASA-N 2 0 337.552 3.362 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000948833425 1333703613 /nfs/dbraw/zinc/70/36/13/1333703613.db2.gz SGTRWCXUTQTICL-LYBXBRPPSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948886565 1333719359 /nfs/dbraw/zinc/71/93/59/1333719359.db2.gz OQYIGQRHEUFFJL-GOSISDBHSA-N 2 0 344.503 3.156 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950470232 1334076641 /nfs/dbraw/zinc/07/66/41/1334076641.db2.gz XWSITQZODOXTAP-AFMYVXGZSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000951616429 1334279800 /nfs/dbraw/zinc/27/98/00/1334279800.db2.gz JMYVMFZWABIUOY-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C)CC1 ZINC000968460244 1335932128 /nfs/dbraw/zinc/93/21/28/1335932128.db2.gz RKUMNVGZHGEDKE-AZUAARDMSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683168 1336009488 /nfs/dbraw/zinc/00/94/88/1336009488.db2.gz ZCVGHUWBXHNVCN-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc3cc(Br)cnc3c2)CC1 ZINC001205053069 1370638320 /nfs/dbraw/zinc/63/83/20/1370638320.db2.gz IYHPUBAQRYDTCI-UHFFFAOYSA-N 2 0 334.261 3.168 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968888728 1336080358 /nfs/dbraw/zinc/08/03/58/1336080358.db2.gz YMKQDXCHGVRMEH-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933947 1336094982 /nfs/dbraw/zinc/09/49/82/1336094982.db2.gz IJUUWROOWYQBLO-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@@H]1CCCCC[N@@H+]1CC1CCC1)c1ccn2c[nH+]cc2c1 ZINC000968936512 1336095904 /nfs/dbraw/zinc/09/59/04/1336095904.db2.gz KDKQHZPWDQGEBP-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968990093 1336111892 /nfs/dbraw/zinc/11/18/92/1336111892.db2.gz RHZIYBYGCXYDRS-QUCCMNQESA-N 2 0 345.531 3.087 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2=CCCCC2)C1 ZINC000969144607 1336161281 /nfs/dbraw/zinc/16/12/81/1336161281.db2.gz PNWAXGJGZNUQNS-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000969353043 1336202436 /nfs/dbraw/zinc/20/24/36/1336202436.db2.gz MSTJLMJVDCHDPD-FUHWJXTLSA-N 2 0 348.450 3.208 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC000969564017 1336224450 /nfs/dbraw/zinc/22/44/50/1336224450.db2.gz JXGBLIIIUJTCCO-RTBURBONSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC000969954508 1336265371 /nfs/dbraw/zinc/26/53/71/1336265371.db2.gz FLRKRZUJKJPGGP-RTBURBONSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)cc1 ZINC000970271123 1336292176 /nfs/dbraw/zinc/29/21/76/1336292176.db2.gz XUXASPXBFQUXAR-HXUWFJFHSA-N 2 0 341.499 3.053 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(CC)CC)CC1 ZINC001005475959 1336357979 /nfs/dbraw/zinc/35/79/79/1336357979.db2.gz LUXIUPVHXXOWAG-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005631533 1336385904 /nfs/dbraw/zinc/38/59/04/1336385904.db2.gz HEQOLBCHMJOBME-OAHLLOKOSA-N 2 0 342.487 3.225 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006084111 1336449811 /nfs/dbraw/zinc/44/98/11/1336449811.db2.gz MUUUQNFEKVGQFJ-IEBWSBKVSA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006121050 1336454959 /nfs/dbraw/zinc/45/49/59/1336454959.db2.gz UWCLKIXSCPLTGC-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006294652 1336484915 /nfs/dbraw/zinc/48/49/15/1336484915.db2.gz NZCCRVCDABBYSD-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007497324 1336657928 /nfs/dbraw/zinc/65/79/28/1336657928.db2.gz COJCVJITIYAWSR-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001007499810 1336658534 /nfs/dbraw/zinc/65/85/34/1336658534.db2.gz QNNDJGGMTGDHNN-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007500194 1336658928 /nfs/dbraw/zinc/65/89/28/1336658928.db2.gz RGEJJSDUOINJKJ-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007744343 1336693816 /nfs/dbraw/zinc/69/38/16/1336693816.db2.gz JABAFVWJBQEZAT-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007751556 1336694930 /nfs/dbraw/zinc/69/49/30/1336694930.db2.gz ZYWKZSXVTLEXIL-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001008277662 1336812756 /nfs/dbraw/zinc/81/27/56/1336812756.db2.gz UMCXPIQZUYKUDL-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001008281850 1336814688 /nfs/dbraw/zinc/81/46/88/1336814688.db2.gz WXPOBSWHXANLTA-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001008534227 1336877422 /nfs/dbraw/zinc/87/74/22/1336877422.db2.gz WFDCQYDGZAMZKV-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747602 1336919868 /nfs/dbraw/zinc/91/98/68/1336919868.db2.gz MGSMFFZUHNZJKB-FUHWJXTLSA-N 2 0 349.544 3.093 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001008762603 1336922764 /nfs/dbraw/zinc/92/27/64/1336922764.db2.gz VAVWRNAZIZALGZ-LYBXBRPPSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001008974560 1336951475 /nfs/dbraw/zinc/95/14/75/1336951475.db2.gz MWNOVSBRAXIKCF-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001014706755 1337877072 /nfs/dbraw/zinc/87/70/72/1337877072.db2.gz ROMQQMRWDNMOJV-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015053819 1338003542 /nfs/dbraw/zinc/00/35/42/1338003542.db2.gz STYISNAXEQCSPX-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015114473 1338023726 /nfs/dbraw/zinc/02/37/26/1338023726.db2.gz PKUCSQVFFYURGM-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291868 1338087338 /nfs/dbraw/zinc/08/73/38/1338087338.db2.gz WNSKBUPEGZFDCI-AEFFLSMTSA-N 2 0 348.450 3.208 20 0 EGADRP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001015791871 1338312072 /nfs/dbraw/zinc/31/20/72/1338312072.db2.gz OJFVABVSEQFXTA-QZTJIDSGSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795813 1338315873 /nfs/dbraw/zinc/31/58/73/1338315873.db2.gz SRQQLLWHCGRKSO-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001015930165 1338363549 /nfs/dbraw/zinc/36/35/49/1338363549.db2.gz IVKXHGSAFUVYFY-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015974108 1338387389 /nfs/dbraw/zinc/38/73/89/1338387389.db2.gz YYSQATKUWDUOPW-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016922450 1338770802 /nfs/dbraw/zinc/77/08/02/1338770802.db2.gz CVVGZMHLKRYULV-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001016991745 1338796455 /nfs/dbraw/zinc/79/64/55/1338796455.db2.gz FOGAQZOEADLFOJ-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP C[N@H+](C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1)CC1CCCCCC1 ZINC001017070473 1338847072 /nfs/dbraw/zinc/84/70/72/1338847072.db2.gz FYGGTIXYHLKSEI-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(C)cc2)C1)[NH+](C)C ZINC001017152229 1338902958 /nfs/dbraw/zinc/90/29/58/1338902958.db2.gz LUBWFFNXDJPNDJ-VQTJNVASSA-N 2 0 345.531 3.006 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018312505 1339572506 /nfs/dbraw/zinc/57/25/06/1339572506.db2.gz FEYGMLAAWORGPV-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018838310 1339736423 /nfs/dbraw/zinc/73/64/23/1339736423.db2.gz XOHCURYXBHWSOE-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001028181130 1340471186 /nfs/dbraw/zinc/47/11/86/1340471186.db2.gz OONHVBJMEBCFPZ-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001028252565 1340512607 /nfs/dbraw/zinc/51/26/07/1340512607.db2.gz YCIBSCZNNRPOSA-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028579545 1340712356 /nfs/dbraw/zinc/71/23/56/1340712356.db2.gz GVJXYJVDILSPQK-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CC[N@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001028647412 1340742020 /nfs/dbraw/zinc/74/20/20/1340742020.db2.gz GTASOXVXYHBZIE-MRXNPFEDSA-N 2 0 342.487 3.131 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001028757959 1340793797 /nfs/dbraw/zinc/79/37/97/1340793797.db2.gz CIOVSEZKPVMPMP-PMACEKPBSA-N 2 0 347.547 3.047 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001028918638 1340884144 /nfs/dbraw/zinc/88/41/44/1340884144.db2.gz KFBYIIBOGAIVCJ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]CC3CCC3)CC2)C1 ZINC001029133607 1340939209 /nfs/dbraw/zinc/93/92/09/1340939209.db2.gz VNUOLRFATGPKEM-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001029550415 1341010746 /nfs/dbraw/zinc/01/07/46/1341010746.db2.gz LQEHRWJQZJAMRT-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)c1ccccc1)[NH+](C)C ZINC001029555643 1341011679 /nfs/dbraw/zinc/01/16/79/1341011679.db2.gz DOAGMWSWCDDXRC-YRPNKDGESA-N 2 0 343.515 3.153 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001029597857 1341018960 /nfs/dbraw/zinc/01/89/60/1341018960.db2.gz MOEXJBLFTGUBBY-CEXWTWQISA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029910346 1341113773 /nfs/dbraw/zinc/11/37/73/1341113773.db2.gz HKNMURFBQIDOHG-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001030306088 1341177561 /nfs/dbraw/zinc/17/75/61/1341177561.db2.gz KATPQWZHURSHIY-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031660276 1341383976 /nfs/dbraw/zinc/38/39/76/1341383976.db2.gz GRKZRRLPSRUDPL-PMACEKPBSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673613 1341386410 /nfs/dbraw/zinc/38/64/10/1341386410.db2.gz QBWXJMCEDWGNJX-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001032027116 1341441696 /nfs/dbraw/zinc/44/16/96/1341441696.db2.gz ODQQTDXNZNONIJ-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCC1 ZINC001032664160 1341576124 /nfs/dbraw/zinc/57/61/24/1341576124.db2.gz SZUAPWFDMUWRAV-UFYCRDLUSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C)[NH+]1CCCCC1 ZINC001032803669 1341619616 /nfs/dbraw/zinc/61/96/16/1341619616.db2.gz ICMQZZQNEMIPEC-GBESFXJTSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365533 1341797798 /nfs/dbraw/zinc/79/77/98/1341797798.db2.gz OQSBCLQAYSDSNL-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033684482 1341950055 /nfs/dbraw/zinc/95/00/55/1341950055.db2.gz GGKIDSUXUYAWAM-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033827031 1342028258 /nfs/dbraw/zinc/02/82/58/1342028258.db2.gz YSOZTXBGUAYJJN-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033836091 1342034663 /nfs/dbraw/zinc/03/46/63/1342034663.db2.gz LFIQQYFQJBBCER-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033878511 1342055570 /nfs/dbraw/zinc/05/55/70/1342055570.db2.gz LAEJMOPLBMBUGB-SFHVURJKSA-N 2 0 342.487 3.225 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033932348 1342096441 /nfs/dbraw/zinc/09/64/41/1342096441.db2.gz LRGPKCFOJFZEAI-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034132966 1342261916 /nfs/dbraw/zinc/26/19/16/1342261916.db2.gz VPNPHAFRZZMPET-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034203868 1342314115 /nfs/dbraw/zinc/31/41/15/1342314115.db2.gz HCHATNHDZBLNDF-QZTJIDSGSA-N 2 0 349.544 3.092 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001034210774 1342319829 /nfs/dbraw/zinc/31/98/29/1342319829.db2.gz JNVAQZLTPJYWQX-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001034210781 1342320560 /nfs/dbraw/zinc/32/05/60/1342320560.db2.gz JNVAQZLTPJYWQX-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034248562 1342346769 /nfs/dbraw/zinc/34/67/69/1342346769.db2.gz DKXNVCVNKCGKHC-RTBURBONSA-N 2 0 335.536 3.186 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cs1 ZINC001034272887 1342364393 /nfs/dbraw/zinc/36/43/93/1342364393.db2.gz XXUFXCJBWHTANU-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034460148 1342515712 /nfs/dbraw/zinc/51/57/12/1342515712.db2.gz CKLASTVWMRSXMO-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479229 1342536454 /nfs/dbraw/zinc/53/64/54/1342536454.db2.gz UZVGDMASFHDYEF-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034486761 1342544626 /nfs/dbraw/zinc/54/46/26/1342544626.db2.gz LTDATIBMRPLRHA-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034538252 1342595310 /nfs/dbraw/zinc/59/53/10/1342595310.db2.gz KHDRVTIOXZLPDX-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC001034733468 1342728550 /nfs/dbraw/zinc/72/85/50/1342728550.db2.gz CPKRLOJMJGUYNX-HNBVOPMISA-N 2 0 343.515 3.106 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736771 1342728935 /nfs/dbraw/zinc/72/89/35/1342728935.db2.gz BVCUCQKKXDSIDS-AFYVEPGGSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034749579 1342737447 /nfs/dbraw/zinc/73/74/47/1342737447.db2.gz NEFVGQLHBPCZMY-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001034753962 1342739660 /nfs/dbraw/zinc/73/96/60/1342739660.db2.gz NMUGWJLUKPEMQU-UAFMIMERSA-N 2 0 347.547 3.211 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034795636 1342762247 /nfs/dbraw/zinc/76/22/47/1342762247.db2.gz NDXZJSIDJKOITE-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034795852 1342762705 /nfs/dbraw/zinc/76/27/05/1342762705.db2.gz VJIAFWYAKLZOEA-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCC2)cs1 ZINC001035010754 1342875180 /nfs/dbraw/zinc/87/51/80/1342875180.db2.gz KCAXKXITVIMRID-QGZVFWFLSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035133990 1342949275 /nfs/dbraw/zinc/94/92/75/1342949275.db2.gz QHSHNLOYUBTHGM-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078820481 1357100671 /nfs/dbraw/zinc/10/06/71/1357100671.db2.gz XFLRCKTVDPMUPP-MOPGFXCFSA-N 2 0 343.515 3.035 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185664 1343000034 /nfs/dbraw/zinc/00/00/34/1343000034.db2.gz YRERIRXQHLWTDU-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193522 1343007933 /nfs/dbraw/zinc/00/79/33/1343007933.db2.gz FJDADPXURVPGEL-IBGZPJMESA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233678 1343055195 /nfs/dbraw/zinc/05/51/95/1343055195.db2.gz JSTXJLOKBNSQQR-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC)C2)CC1 ZINC001035244891 1343066850 /nfs/dbraw/zinc/06/68/50/1343066850.db2.gz WFYUDAHHMZCTEG-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247233 1343070317 /nfs/dbraw/zinc/07/03/17/1343070317.db2.gz UGHBQSBMDPUWLL-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035838222 1343221330 /nfs/dbraw/zinc/22/13/30/1343221330.db2.gz VIOVPNRMRCREJP-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035858571 1343234633 /nfs/dbraw/zinc/23/46/33/1343234633.db2.gz WAIOBPFNIOFWSM-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)[C@H](C)C2)CC1 ZINC001036229113 1343369772 /nfs/dbraw/zinc/36/97/72/1343369772.db2.gz GUABPROUFIZTSU-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001036407391 1343468602 /nfs/dbraw/zinc/46/86/02/1343468602.db2.gz VXAQFJQZOINEMN-LSDHHAIUSA-N 2 0 337.533 3.048 20 0 EGADRP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036573039 1343560196 /nfs/dbraw/zinc/56/01/96/1343560196.db2.gz QPDLCPYABCAWTJ-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904506 1343851417 /nfs/dbraw/zinc/85/14/17/1343851417.db2.gz SQZNGLFGGSFDAD-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001037038238 1343942015 /nfs/dbraw/zinc/94/20/15/1343942015.db2.gz JXFKPNVAXXPTCE-UYAOXDASSA-N 2 0 348.450 3.023 20 0 EGADRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001037978660 1344217360 /nfs/dbraw/zinc/21/73/60/1344217360.db2.gz MUMVSZWAIWPPDU-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1[NH2+]CC(C)C ZINC001037986251 1344221538 /nfs/dbraw/zinc/22/15/38/1344221538.db2.gz ZOIVEWYWYFSXKF-UYAOXDASSA-N 2 0 345.531 3.235 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1CCCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247121 1344342508 /nfs/dbraw/zinc/34/25/08/1344342508.db2.gz GNKSIFRLRFWVQH-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038340388 1344386778 /nfs/dbraw/zinc/38/67/78/1344386778.db2.gz NCLNVZOANMLFHI-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038556129 1344481335 /nfs/dbraw/zinc/48/13/35/1344481335.db2.gz PREHYZKUZIAVBT-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1CCCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620904 1344507893 /nfs/dbraw/zinc/50/78/93/1344507893.db2.gz FVGPJZRSHGAQBU-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038621668 1344508852 /nfs/dbraw/zinc/50/88/52/1344508852.db2.gz GHOBFTMPYXNUIF-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001039051417 1344736476 /nfs/dbraw/zinc/73/64/76/1344736476.db2.gz VSSNAEGAQLCRQU-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001039051419 1344736771 /nfs/dbraw/zinc/73/67/71/1344736771.db2.gz VSSNAEGAQLCRQU-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039227348 1344946208 /nfs/dbraw/zinc/94/62/08/1344946208.db2.gz CNDKOZKHKAFRLS-APWZRJJASA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039227353 1344946311 /nfs/dbraw/zinc/94/63/11/1344946311.db2.gz CNDKOZKHKAFRLS-VQIMIIECSA-N 2 0 340.471 3.059 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039313798 1345009610 /nfs/dbraw/zinc/00/96/10/1345009610.db2.gz QADORSBZDPZVLQ-IPQPSQTFSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039387172 1345039817 /nfs/dbraw/zinc/03/98/17/1345039817.db2.gz WGMQSASVLZRYAE-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CCCC2)CC1)[NH+](C)C ZINC001039486221 1345104930 /nfs/dbraw/zinc/10/49/30/1345104930.db2.gz GOJIQDAISHXVOH-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)C1CC1 ZINC001040239909 1345390127 /nfs/dbraw/zinc/39/01/27/1345390127.db2.gz ASAICOQHRUPEBY-RXVVDRJESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243781 1345393658 /nfs/dbraw/zinc/39/36/58/1345393658.db2.gz AXGKITLOFLSSAB-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)CC1 ZINC001040369533 1345459632 /nfs/dbraw/zinc/45/96/32/1345459632.db2.gz QFZJFZGMHGBENP-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040390576 1345472138 /nfs/dbraw/zinc/47/21/38/1345472138.db2.gz KKNLZHQNCGAKLI-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433183 1345496455 /nfs/dbraw/zinc/49/64/55/1345496455.db2.gz UIDIBSZPGVPQJC-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+](CCC(C)C)CC3)CC[N@@H+]1C ZINC001040708699 1345568501 /nfs/dbraw/zinc/56/85/01/1345568501.db2.gz YPIUPNRYDFLQGR-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(C2)CC[NH+](CC(C)C)CC3)C1 ZINC001040817135 1345581812 /nfs/dbraw/zinc/58/18/12/1345581812.db2.gz KXNUZHVWISOGGW-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001040953588 1345609546 /nfs/dbraw/zinc/60/95/46/1345609546.db2.gz QBINVFBFXIGWRQ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041340061 1345705515 /nfs/dbraw/zinc/70/55/15/1345705515.db2.gz SDEIQRQVXYVGLK-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041342728 1345706504 /nfs/dbraw/zinc/70/65/04/1345706504.db2.gz GBYSTLBQTHCNBA-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357160 1345708785 /nfs/dbraw/zinc/70/87/85/1345708785.db2.gz FGFCHSZYYKHUMD-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782023 1345847997 /nfs/dbraw/zinc/84/79/97/1345847997.db2.gz OSRZWEJIDXTYFI-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845496 1345871571 /nfs/dbraw/zinc/87/15/71/1345871571.db2.gz FSBUJQJZVIOOJX-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044741613 1346418004 /nfs/dbraw/zinc/41/80/04/1346418004.db2.gz CBWYIJZCUWYVBC-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045104229 1346495379 /nfs/dbraw/zinc/49/53/79/1346495379.db2.gz VJUCVSRFRQHSNJ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045229925 1346536918 /nfs/dbraw/zinc/53/69/18/1346536918.db2.gz ZMBWQNQGDVFQPN-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)c1 ZINC001045322604 1346559684 /nfs/dbraw/zinc/55/96/84/1346559684.db2.gz XTJWVWWWFFKPGR-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001045322651 1346559708 /nfs/dbraw/zinc/55/97/08/1346559708.db2.gz TUKIGCJQROUPHE-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001045437991 1346594094 /nfs/dbraw/zinc/59/40/94/1346594094.db2.gz IFYVTTVLFKLQOT-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001045789811 1346698909 /nfs/dbraw/zinc/69/89/09/1346698909.db2.gz SZHXDTJIAAMKKP-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001045876292 1346728794 /nfs/dbraw/zinc/72/87/94/1346728794.db2.gz FDRXSGJLVBKBKT-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001045876293 1346729006 /nfs/dbraw/zinc/72/90/06/1346729006.db2.gz FDRXSGJLVBKBKT-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](CC(C)C)C3)C2)CC[N@@H+]1C ZINC001045938999 1346774808 /nfs/dbraw/zinc/77/48/08/1346774808.db2.gz RIXJHRSXFLHUGG-ZVDOUQERSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951009 1346786358 /nfs/dbraw/zinc/78/63/58/1346786358.db2.gz RJXPJCMNETZJOE-FQEVSTJZSA-N 2 0 347.547 3.120 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960560 1346795323 /nfs/dbraw/zinc/79/53/23/1346795323.db2.gz MPGZJMRJTJVZPH-FQEVSTJZSA-N 2 0 347.503 3.069 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970038 1346805820 /nfs/dbraw/zinc/80/58/20/1346805820.db2.gz AGGKNXUQJAFRCC-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045986258 1346827993 /nfs/dbraw/zinc/82/79/93/1346827993.db2.gz MGIRODAHLAVHQK-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001046330102 1346936189 /nfs/dbraw/zinc/93/61/89/1346936189.db2.gz WNSOJIYPQUQYOF-BLIXFSHQSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046368918 1346952296 /nfs/dbraw/zinc/95/22/96/1346952296.db2.gz KFMLNGGVJRJRHC-TZIWHRDSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+](CCC2CCCC2)C1 ZINC001046450083 1346977688 /nfs/dbraw/zinc/97/76/88/1346977688.db2.gz OXRQDKZFRGMLBX-HXUWFJFHSA-N 2 0 340.471 3.109 20 0 EGADRP Cc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001046449292 1346977921 /nfs/dbraw/zinc/97/79/21/1346977921.db2.gz BOFWHSSITRHFJX-NRFANRHFSA-N 2 0 348.450 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046561442 1347017665 /nfs/dbraw/zinc/01/76/65/1347017665.db2.gz GURSDQPLFZLHGF-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760455 1347087847 /nfs/dbraw/zinc/08/78/47/1347087847.db2.gz GMJVYZNNGKPBDA-OAQYLSRUSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@]2(C)CC[N@H+](CC3CCCC3)C2)c1 ZINC001046852905 1347130204 /nfs/dbraw/zinc/13/02/04/1347130204.db2.gz QXIRYPFFJDZCCS-OAQYLSRUSA-N 2 0 343.515 3.133 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047245138 1347270675 /nfs/dbraw/zinc/27/06/75/1347270675.db2.gz XRRXXEUGMRTFMY-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047257175 1347280016 /nfs/dbraw/zinc/28/00/16/1347280016.db2.gz PFZQDCFRHVJQNQ-QUCCMNQESA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048056772 1347454588 /nfs/dbraw/zinc/45/45/88/1347454588.db2.gz AGJOUWGTHDJTBW-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001048556404 1347591746 /nfs/dbraw/zinc/59/17/46/1347591746.db2.gz FYGGESJNRYOXHZ-FSGKZVOOSA-N 2 0 347.547 3.042 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001048624366 1347623284 /nfs/dbraw/zinc/62/32/84/1347623284.db2.gz PEMRMCJSDNYORT-IYARVYRRSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC001048862101 1347672303 /nfs/dbraw/zinc/67/23/03/1347672303.db2.gz PLRBFVPZSBOZFF-OTWHNJEPSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477440 1347868939 /nfs/dbraw/zinc/86/89/39/1347868939.db2.gz GQSSWRNVOVRHTH-RTBURBONSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049566191 1347913395 /nfs/dbraw/zinc/91/33/95/1347913395.db2.gz HGNRREUZFUJPGV-VAMGGRTRSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572670 1347915977 /nfs/dbraw/zinc/91/59/77/1347915977.db2.gz MRTMSIGXOBEAEW-ZYSHUDEJSA-N 2 0 340.471 3.059 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049727882 1347991042 /nfs/dbraw/zinc/99/10/42/1347991042.db2.gz MGZCHXLQQPOFGR-UFYCRDLUSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049726133 1347991610 /nfs/dbraw/zinc/99/16/10/1347991610.db2.gz CPIBONFWKGIVEC-XUVXKRRUSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768684 1348010987 /nfs/dbraw/zinc/01/09/87/1348010987.db2.gz YPJUFGMKXBAOBK-ZCNNSNEGSA-N 2 0 349.563 3.361 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079806421 1357387557 /nfs/dbraw/zinc/38/75/57/1357387557.db2.gz GDHXXBYNKGHZEU-RLLQIKCJSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001050247622 1348217603 /nfs/dbraw/zinc/21/76/03/1348217603.db2.gz JXSXFEVUUWCADT-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001050367673 1348240521 /nfs/dbraw/zinc/24/05/21/1348240521.db2.gz OCNRPHRBKUQKRG-MISYRCLQSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001050393421 1348249725 /nfs/dbraw/zinc/24/97/25/1348249725.db2.gz UXJGVMVQLCYFAG-RUCARUNLSA-N 2 0 331.504 3.035 20 0 EGADRP 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CKRZQVVUIQDGTA-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1)[NH+](C)C ZINC001074066576 1356064013 /nfs/dbraw/zinc/06/40/13/1356064013.db2.gz IJJUQGCAYXWGHF-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001074877692 1356277002 /nfs/dbraw/zinc/27/70/02/1356277002.db2.gz HMIFFVGIQIFJLS-AOIWGVFYSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)c1cccc(Cl)c1 ZINC001075111009 1356310453 /nfs/dbraw/zinc/31/04/53/1356310453.db2.gz ZRRGFNSHCQLOKZ-MPGHIAIKSA-N 2 0 349.906 3.076 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448312 1356381061 /nfs/dbraw/zinc/38/10/61/1356381061.db2.gz SXMSSSZVPJLRQY-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256437 1387286434 /nfs/dbraw/zinc/28/64/34/1387286434.db2.gz WSLIIIDJKIVMLJ-DYIICSRESA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257594 1363717784 /nfs/dbraw/zinc/71/77/84/1363717784.db2.gz IIBLEHWMCWTLBV-IBGZPJMESA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001080998624 1357777453 /nfs/dbraw/zinc/77/74/53/1357777453.db2.gz GVPRMDRYJCHRRO-VQIMIIECSA-N 2 0 345.531 3.235 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001323158371 1387304200 /nfs/dbraw/zinc/30/42/00/1387304200.db2.gz ICHTYENILHVTTK-WOJBJXKFSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082783198 1358092501 /nfs/dbraw/zinc/09/25/01/1358092501.db2.gz GYKZFBSYULJDNG-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469743 1358221081 /nfs/dbraw/zinc/22/10/81/1358221081.db2.gz LQWAAZRDYUXLBD-IEBWSBKVSA-N 2 0 347.547 3.138 20 0 EGADRP 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CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001086937937 1359260625 /nfs/dbraw/zinc/26/06/25/1359260625.db2.gz DHRQIOWFHLZYDA-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942100 1359263683 /nfs/dbraw/zinc/26/36/83/1359263683.db2.gz IWXPVYMILKULLD-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086946506 1359267764 /nfs/dbraw/zinc/26/77/64/1359267764.db2.gz BBLXFBNWFGAMLD-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001087166467 1359312442 /nfs/dbraw/zinc/31/24/42/1359312442.db2.gz PVQUMZUHTOUETG-GGPKGHCWSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001087181500 1359314984 /nfs/dbraw/zinc/31/49/84/1359314984.db2.gz VAXUDEFMDSJNOB-YZGWKJHDSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087212834 1359322950 /nfs/dbraw/zinc/32/29/50/1359322950.db2.gz RRXADOCDBJTGRK-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001323595721 1387400262 /nfs/dbraw/zinc/40/02/62/1387400262.db2.gz CUFKKECFJHGRKA-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087523220 1359509352 /nfs/dbraw/zinc/50/93/52/1359509352.db2.gz NSHNIRBPIDQELP-IPMKNSEASA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087523083 1359509674 /nfs/dbraw/zinc/50/96/74/1359509674.db2.gz ITPWQXXNXPAPKH-IPMKNSEASA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC1=CCCCC1 ZINC001087699762 1359598911 /nfs/dbraw/zinc/59/89/11/1359598911.db2.gz KHBUVFTZZQLMKO-FRYIKTPZSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CC1CCCCC1 ZINC001087726126 1359614029 /nfs/dbraw/zinc/61/40/29/1359614029.db2.gz RZHKLGANKDXMSJ-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1CC1CCCC1 ZINC001087780827 1359641348 /nfs/dbraw/zinc/64/13/48/1359641348.db2.gz BJAUYYBVNODGPH-VQTJNVASSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792278 1359647987 /nfs/dbraw/zinc/64/79/87/1359647987.db2.gz WSZCZAZCIFXJGQ-OTWHNJEPSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129768 1359768648 /nfs/dbraw/zinc/76/86/48/1359768648.db2.gz DZLLAIILAFEVLB-AABGKKOBSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(C)C)C2)C1 ZINC001088367434 1359851770 /nfs/dbraw/zinc/85/17/70/1359851770.db2.gz JXNMUOSVUAGOLR-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCCC3)C2)CC[N@@H+]1C ZINC001088369727 1359853041 /nfs/dbraw/zinc/85/30/41/1359853041.db2.gz QPMRCDHPECVPEP-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1C ZINC001088970680 1360119263 /nfs/dbraw/zinc/11/92/63/1360119263.db2.gz KQHIHELUCOSATI-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001089228658 1360269679 /nfs/dbraw/zinc/26/96/79/1360269679.db2.gz JAGUTQMHRGUIRR-OALUTQOASA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC=C(C)C)CC(C)(C)C2)CC[N@@H+]1C ZINC001089391824 1360392480 /nfs/dbraw/zinc/39/24/80/1360392480.db2.gz PKSPKJQBJIHPPP-GBESFXJTSA-N 2 0 349.563 3.290 20 0 EGADRP CC1(C)C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+](CC2CCC2)C1 ZINC001089429587 1360421059 /nfs/dbraw/zinc/42/10/59/1360421059.db2.gz CZMNWVYRKVUSNV-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CC1(C)C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+](CCC2CC2)C1 ZINC001089430571 1360422510 /nfs/dbraw/zinc/42/25/10/1360422510.db2.gz OYQZCJQICOOIQY-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC(C)(C)C2)C1 ZINC001089563816 1360510946 /nfs/dbraw/zinc/51/09/46/1360510946.db2.gz UKNYQSVVXCYETH-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001089617490 1360537801 /nfs/dbraw/zinc/53/78/01/1360537801.db2.gz AFRSGUWOVONVQQ-RBUKOAKNSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089645854 1360558038 /nfs/dbraw/zinc/55/80/38/1360558038.db2.gz BQYLGONYWPCZGS-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2=CCCCC2)C1 ZINC001089731950 1360635622 /nfs/dbraw/zinc/63/56/22/1360635622.db2.gz ITQRRAHRYKKZRR-MOPGFXCFSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001323872846 1387485381 /nfs/dbraw/zinc/48/53/81/1387485381.db2.gz LEUUVNDTBRWVPI-HXUWFJFHSA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184584743 1387497766 /nfs/dbraw/zinc/49/77/66/1387497766.db2.gz IHBVECQWALGZDB-OVKVCFKUSA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666851 1361176218 /nfs/dbraw/zinc/17/62/18/1361176218.db2.gz INZPWWPXCZNUDH-DYXWJJEUSA-N 2 0 349.563 3.076 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184725289 1387521170 /nfs/dbraw/zinc/52/11/70/1387521170.db2.gz RSCYDHVAZJESIO-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184723964 1387521250 /nfs/dbraw/zinc/52/12/50/1387521250.db2.gz LOBBVWBOSHIPSD-LSLCWXNRSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094430375 1361799436 /nfs/dbraw/zinc/79/94/36/1361799436.db2.gz NIDGFJUQZUSQEA-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528910 1361846207 /nfs/dbraw/zinc/84/62/07/1361846207.db2.gz BKMSRZURNKMTEM-QKNQBKEWSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)CC[N@@H+]1C ZINC001095438673 1362140732 /nfs/dbraw/zinc/14/07/32/1362140732.db2.gz BWMPLAZVTGUAFG-XLSIIYIISA-N 2 0 347.547 3.019 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)CC1 ZINC001095962701 1362311544 /nfs/dbraw/zinc/31/15/44/1362311544.db2.gz APPHYHDZHQMEOR-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001096015858 1362335304 /nfs/dbraw/zinc/33/53/04/1362335304.db2.gz SWBUQJPEWXLBCQ-LMCOJAPRSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104014 1362384650 /nfs/dbraw/zinc/38/46/50/1362384650.db2.gz BXTQHCJNASLONP-FUMNGEBKSA-N 2 0 349.563 3.407 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001096313601 1362460784 /nfs/dbraw/zinc/46/07/84/1362460784.db2.gz KWXXRJHIJZUYFU-FUMNGEBKSA-N 2 0 347.547 3.329 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCCC2)C1 ZINC001096538867 1362564477 /nfs/dbraw/zinc/56/44/77/1362564477.db2.gz PHAZCNFOZABHLM-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001097064126 1362830223 /nfs/dbraw/zinc/83/02/23/1362830223.db2.gz ZJOWZESELGWZBY-AKHDSKFASA-N 2 0 347.547 3.017 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097219216 1362890311 /nfs/dbraw/zinc/89/03/11/1362890311.db2.gz XABATMRWKGEJLH-MANSERQUSA-N 2 0 335.536 3.017 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)C1 ZINC001097860768 1363143345 /nfs/dbraw/zinc/14/33/45/1363143345.db2.gz SOWPQPMOTLCRTA-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097974901 1363186069 /nfs/dbraw/zinc/18/60/69/1363186069.db2.gz YOLGYICBCWXNIR-YSTOQKLRSA-N 2 0 347.547 3.161 20 0 EGADRP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001098815130 1363479645 /nfs/dbraw/zinc/47/96/45/1363479645.db2.gz UROZDMVJSUMRGI-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001099075155 1363609501 /nfs/dbraw/zinc/60/95/01/1363609501.db2.gz VINQZFUNNMYEAU-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCCC1 ZINC001324470906 1387634548 /nfs/dbraw/zinc/63/45/48/1387634548.db2.gz TZNKLFLRIDGNQH-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101010 1363622473 /nfs/dbraw/zinc/62/24/73/1363622473.db2.gz DDLSZVJDQGGCGG-LMNJBCLMSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)C1CC1 ZINC001099106364 1363624639 /nfs/dbraw/zinc/62/46/39/1363624639.db2.gz DVJDXNMJPWLVMH-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115767 1363631837 /nfs/dbraw/zinc/63/18/37/1363631837.db2.gz JRFHHWURWGJTMB-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099230049 1363703070 /nfs/dbraw/zinc/70/30/70/1363703070.db2.gz PWUNYZXZHFJBCE-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCC2)C1 ZINC001099240625 1363709253 /nfs/dbraw/zinc/70/92/53/1363709253.db2.gz UDQZKGSLSIGZKZ-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)CC1 ZINC001099280781 1363729668 /nfs/dbraw/zinc/72/96/68/1363729668.db2.gz LCAVUDMMRYZNQL-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099495762 1363820325 /nfs/dbraw/zinc/82/03/25/1363820325.db2.gz CKBQBUQVTHWSKQ-OKYOBFRVSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001099539772 1363838997 /nfs/dbraw/zinc/83/89/97/1363838997.db2.gz AIEJYUYMEMAGDR-ZVDOUQERSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CC(CC)CC)C2)C1 ZINC001100599332 1364183327 /nfs/dbraw/zinc/18/33/27/1364183327.db2.gz SIANVOSATKVLKL-XBMUEBEBSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001324545617 1387665976 /nfs/dbraw/zinc/66/59/76/1387665976.db2.gz RKFVSXPRHPFCSN-RLLQIKCJSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100676938 1364214331 /nfs/dbraw/zinc/21/43/31/1364214331.db2.gz VJILJWCDXRUPFH-KKXNLOMOSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729725 1364238317 /nfs/dbraw/zinc/23/83/17/1364238317.db2.gz LIEABWRZTWTKMM-LKFCSYKXSA-N 2 0 335.536 3.090 20 0 EGADRP C[C@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001100732054 1364239295 /nfs/dbraw/zinc/23/92/95/1364239295.db2.gz RKZHRVROKWFDFN-QHGAOEGBSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]C[C@H](C)CC)C1 ZINC001100765165 1364251866 /nfs/dbraw/zinc/25/18/66/1364251866.db2.gz WPSXEEDTYABUHU-WWDZGPRUSA-N 2 0 325.541 3.029 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100848173 1364289614 /nfs/dbraw/zinc/28/96/14/1364289614.db2.gz AGJDCYKYYHRILJ-CTWPCTMYSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001100890263 1364314666 /nfs/dbraw/zinc/31/46/66/1364314666.db2.gz SRYGEQXLKYHIBV-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001100900047 1364321741 /nfs/dbraw/zinc/32/17/41/1364321741.db2.gz NMMJPUXRNKIYNQ-MDCZIUGASA-N 2 0 349.494 3.103 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185294917 1387674307 /nfs/dbraw/zinc/67/43/07/1387674307.db2.gz VNAVSXTUUZZTJM-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185294916 1387674331 /nfs/dbraw/zinc/67/43/31/1387674331.db2.gz VNAVSXTUUZZTJM-XLIONFOSSA-N 2 0 345.531 3.236 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100996938 1364362661 /nfs/dbraw/zinc/36/26/61/1364362661.db2.gz NFALHOFBWWQCHJ-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC([NH2+]CCC(C)C)C2)o1 ZINC001101060292 1364395980 /nfs/dbraw/zinc/39/59/80/1364395980.db2.gz VPFNGLCTZDHVMU-UHFFFAOYSA-N 2 0 349.519 3.266 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001101574178 1364629208 /nfs/dbraw/zinc/62/92/08/1364629208.db2.gz VGXJNYZDOFXFPL-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185360976 1387691737 /nfs/dbraw/zinc/69/17/37/1387691737.db2.gz RILPEHPKTYIPDG-XSXCZSQGSA-N 2 0 349.563 3.149 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@](C)(NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001324618585 1387701655 /nfs/dbraw/zinc/70/16/55/1387701655.db2.gz BJJWAWOVXHTDLR-DYESRHJHSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001102044916 1364821649 /nfs/dbraw/zinc/82/16/49/1364821649.db2.gz KHVNFKONCJRYHD-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001102111101 1364863642 /nfs/dbraw/zinc/86/36/42/1364863642.db2.gz VAJHQHDGFDKFDI-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357737 1365020916 /nfs/dbraw/zinc/02/09/16/1365020916.db2.gz HOVVUILJBRRMFV-QRQLOZEOSA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434080 1365052463 /nfs/dbraw/zinc/05/24/63/1365052463.db2.gz NNMXNRVNEJXXJP-YKMDAGRBSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520497 1365096652 /nfs/dbraw/zinc/09/66/52/1365096652.db2.gz MWQBQESJJKONIG-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185649 1365425155 /nfs/dbraw/zinc/42/51/55/1365425155.db2.gz JAGLHVRAWSFYCH-NYQZOWANSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C)c1ccccc1 ZINC001103634335 1365691913 /nfs/dbraw/zinc/69/19/13/1365691913.db2.gz UARKKHZQQANAKQ-MISYRCLQSA-N 2 0 345.531 3.162 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001324740565 1387758690 /nfs/dbraw/zinc/75/86/90/1387758690.db2.gz HTEPVANCWHPWHV-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+](CC)CC ZINC001185609605 1387760361 /nfs/dbraw/zinc/76/03/61/1387760361.db2.gz MCNLKAMYBWGSOU-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001104000180 1365867544 /nfs/dbraw/zinc/86/75/44/1365867544.db2.gz YBVTYZNUBBAVJI-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291274 1365977604 /nfs/dbraw/zinc/97/76/04/1365977604.db2.gz KUHOJFALYYHGBW-YZHDCRMKSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1CC[NH2+]CC1CC1 ZINC001104370296 1365991321 /nfs/dbraw/zinc/99/13/21/1365991321.db2.gz UEIVABREMFAGHF-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001104482416 1366044106 /nfs/dbraw/zinc/04/41/06/1366044106.db2.gz OWCARJPNCZYVDA-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001185724266 1387785122 /nfs/dbraw/zinc/78/51/22/1387785122.db2.gz WSVHAADZRSZVIP-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104595787 1366094604 /nfs/dbraw/zinc/09/46/04/1366094604.db2.gz ZINBOSALPIDNIV-GVDBMIGSSA-N 2 0 349.519 3.075 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104624134 1366106380 /nfs/dbraw/zinc/10/63/80/1366106380.db2.gz PDIWUBKXEKQLQV-CWHLKURSSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001104625659 1366106930 /nfs/dbraw/zinc/10/69/30/1366106930.db2.gz XQTLWTHKVNMWLL-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2[NH+](CCC)CC23CCC3)CC1 ZINC001105396906 1366446065 /nfs/dbraw/zinc/44/60/65/1366446065.db2.gz YRSNTDOCIBLHFF-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105517931 1366505386 /nfs/dbraw/zinc/50/53/86/1366505386.db2.gz NATVPONFZWIPKU-RTBURBONSA-N 2 0 347.547 3.188 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536630 1366516491 /nfs/dbraw/zinc/51/64/91/1366516491.db2.gz FOIOAQDVVHSXKB-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105560678 1366530441 /nfs/dbraw/zinc/53/04/41/1366530441.db2.gz BIQFEDDOEDMINI-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105562121 1366531687 /nfs/dbraw/zinc/53/16/87/1366531687.db2.gz WXRMYTAVJOMPNS-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+](CC)CC)CCC1 ZINC001105568728 1366537008 /nfs/dbraw/zinc/53/70/08/1366537008.db2.gz XMKDRCGSZJJTHC-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105574987 1366539912 /nfs/dbraw/zinc/53/99/12/1366539912.db2.gz OGXTYCINZZWQST-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105575093 1366540164 /nfs/dbraw/zinc/54/01/64/1366540164.db2.gz QSRISOUWJVBYRS-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105578547 1366542081 /nfs/dbraw/zinc/54/20/81/1366542081.db2.gz CONKKOPZNFNKJT-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249416 1366633620 /nfs/dbraw/zinc/63/36/20/1366633620.db2.gz GSECAAZEVYTGPY-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106340238 1366660590 /nfs/dbraw/zinc/66/05/90/1366660590.db2.gz POVPZRTYOMBTBF-NDZBKKTDSA-N 2 0 337.552 3.147 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106340239 1366660736 /nfs/dbraw/zinc/66/07/36/1366660736.db2.gz POVPZRTYOMBTBF-QAZIKRLUSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106378401 1366676078 /nfs/dbraw/zinc/67/60/78/1366676078.db2.gz PXKZBTXDAUMZPX-NVXWUHKLSA-N 2 0 342.487 3.068 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001107066844 1366869060 /nfs/dbraw/zinc/86/90/60/1366869060.db2.gz LAJFJHVZHMBLAM-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435791 1366962918 /nfs/dbraw/zinc/96/29/18/1366962918.db2.gz AFRNOSWNIWZZOM-SFHLNBCPSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107494877 1366994251 /nfs/dbraw/zinc/99/42/51/1366994251.db2.gz DQVPVOFLSDFHMB-DBXWQHBBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109264198 1367032909 /nfs/dbraw/zinc/03/29/09/1367032909.db2.gz OZYRVYPNMSWUOD-YDZRNGNQSA-N 2 0 335.536 3.017 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554941 1367040771 /nfs/dbraw/zinc/04/07/71/1367040771.db2.gz OPCMVQWKEGCEIH-NLWGTHIKSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632043 1367084310 /nfs/dbraw/zinc/08/43/10/1367084310.db2.gz NJLANNDGWNZHEJ-SKCPSPIOSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107632926 1367085126 /nfs/dbraw/zinc/08/51/26/1367085126.db2.gz FWNUUAFOENLASY-JPKVPHHRSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646597 1367092482 /nfs/dbraw/zinc/09/24/82/1367092482.db2.gz MIWKHVKLOWFHPK-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399288 1367103957 /nfs/dbraw/zinc/10/39/57/1367103957.db2.gz FIOQIDROPZNHST-RDGPPVDQSA-N 2 0 335.536 3.161 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@H+](CC=C(C)C)C[C@H]21 ZINC001189770713 1367106056 /nfs/dbraw/zinc/10/60/56/1367106056.db2.gz AYCQCPOXJSPEKZ-VQTJNVASSA-N 2 0 349.563 3.388 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001109410551 1367108879 /nfs/dbraw/zinc/10/88/79/1367108879.db2.gz JCMLCHNEHZEZKW-SQNIBIBYSA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001109464178 1367138027 /nfs/dbraw/zinc/13/80/27/1367138027.db2.gz PEQZUHGXVPYNFF-QYZOEREBSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565645 1367202080 /nfs/dbraw/zinc/20/20/80/1367202080.db2.gz WXIUAKOBBGXBGX-MHORFTMASA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001191020591 1367404357 /nfs/dbraw/zinc/40/43/57/1367404357.db2.gz YLCSFAHSFKWJPP-IBGZPJMESA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001191082358 1367420573 /nfs/dbraw/zinc/42/05/73/1367420573.db2.gz XITPIBMJZGXLPK-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)cs1 ZINC001110007169 1367455638 /nfs/dbraw/zinc/45/56/38/1367455638.db2.gz LDILIFURVNSAKS-SQNIBIBYSA-N 2 0 349.544 3.010 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC(C)C ZINC001110017554 1367460342 /nfs/dbraw/zinc/46/03/42/1367460342.db2.gz BTDDESISKHJWNP-RDGPPVDQSA-N 2 0 337.552 3.122 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191352061 1367482560 /nfs/dbraw/zinc/48/25/60/1367482560.db2.gz PMZLSMVLIKRCRL-VOFKWLDRSA-N 2 0 340.471 3.227 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161551 1367534885 /nfs/dbraw/zinc/53/48/85/1367534885.db2.gz JDDUXVJCOBUNQP-CTKDGEJNSA-N 2 0 347.547 3.185 20 0 EGADRP CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733097 1367564557 /nfs/dbraw/zinc/56/45/57/1367564557.db2.gz GEEDNHSIBZKLMS-LNLFQRSKSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108733919 1367565534 /nfs/dbraw/zinc/56/55/34/1367565534.db2.gz KZADGVLADKNTTE-KSZLIROESA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108827719 1367623233 /nfs/dbraw/zinc/62/32/33/1367623233.db2.gz ADWOYGCNHGQNQK-IQUHNSSXSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(CC)CC)C2)C1 ZINC001191921787 1367639258 /nfs/dbraw/zinc/63/92/58/1367639258.db2.gz FSOWKCNXAGCNBJ-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001191922823 1367639414 /nfs/dbraw/zinc/63/94/14/1367639414.db2.gz OPQACRJPRZEZMG-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001192171845 1367707700 /nfs/dbraw/zinc/70/77/00/1367707700.db2.gz WZJNPLXLRCFXPE-PXNSSMCTSA-N 2 0 345.531 3.355 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001192325083 1367752469 /nfs/dbraw/zinc/75/24/69/1367752469.db2.gz JSCKPKMPNYARPU-IAGOWNOFSA-N 2 0 325.541 3.076 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192327020 1367753900 /nfs/dbraw/zinc/75/39/00/1367753900.db2.gz WBXFOBZBPZGGOY-QZTJIDSGSA-N 2 0 325.541 3.220 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001192654259 1367844075 /nfs/dbraw/zinc/84/40/75/1367844075.db2.gz DYFTVUJQJFPHTC-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110808407 1368003189 /nfs/dbraw/zinc/00/31/89/1368003189.db2.gz DWJCFBXFBKRJKA-QOPWDLMFSA-N 2 0 338.455 3.026 20 0 EGADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC001193516933 1368051503 /nfs/dbraw/zinc/05/15/03/1368051503.db2.gz KIPIOASBQVYHOD-GOSISDBHSA-N 2 0 328.504 3.480 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886324 1368059630 /nfs/dbraw/zinc/05/96/30/1368059630.db2.gz WINPYOIOQFRCPI-KURKYZTESA-N 2 0 349.563 3.409 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193572040 1368065026 /nfs/dbraw/zinc/06/50/26/1368065026.db2.gz ZZGPBRNOWKLVAE-LJQANCHMSA-N 2 0 345.531 3.068 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080180 1368179070 /nfs/dbraw/zinc/17/90/70/1368179070.db2.gz HNHANOPHUHJISH-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cccc(C)c1 ZINC001111171586 1368179983 /nfs/dbraw/zinc/17/99/83/1368179983.db2.gz KCKULJPMJCZMGB-NBYUQASBSA-N 2 0 343.515 3.119 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226905 1368211957 /nfs/dbraw/zinc/21/19/57/1368211957.db2.gz HURWGMPQZOVQPA-VOFKWLDRSA-N 2 0 335.536 3.142 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453941 1368310474 /nfs/dbraw/zinc/31/04/74/1368310474.db2.gz CWKNZPASWVKXAX-QRVBRYPASA-N 2 0 335.536 3.164 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001111454080 1368310551 /nfs/dbraw/zinc/31/05/51/1368310551.db2.gz KIGFZJSQXIRWPT-AQNXPRMDSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1)c1ccccc1 ZINC001195214464 1368402231 /nfs/dbraw/zinc/40/22/31/1368402231.db2.gz WVWDZRPISAJWFZ-IEBWSBKVSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740845 1368438172 /nfs/dbraw/zinc/43/81/72/1368438172.db2.gz QOMVXLCFCQHQQJ-ZJOUEHCJSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)C)C3)CC[N@@H+]1C ZINC001111754187 1368444796 /nfs/dbraw/zinc/44/47/96/1368444796.db2.gz QPBRHZAEMGIPIP-HUUJSLGLSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782541 1368460077 /nfs/dbraw/zinc/46/00/77/1368460077.db2.gz NBVURBDQDWOCPO-NSHGMRRFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821611 1368482443 /nfs/dbraw/zinc/48/24/43/1368482443.db2.gz YZZWNBHWOCWIKN-RXVVDRJESA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785836 1368490179 /nfs/dbraw/zinc/49/01/79/1368490179.db2.gz XNEOLQVVKLHDJV-OVKVCFKUSA-N 2 0 335.536 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001196060213 1368541726 /nfs/dbraw/zinc/54/17/26/1368541726.db2.gz OVLQZVLLFVUXKG-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196060507 1368542438 /nfs/dbraw/zinc/54/24/38/1368542438.db2.gz YMCGQJGJLHDILI-GHOSXJJBSA-N 2 0 335.536 3.142 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001112009843 1368613278 /nfs/dbraw/zinc/61/32/78/1368613278.db2.gz WNWGPYXWIFSWKH-PXNSSMCTSA-N 2 0 337.552 3.124 20 0 EGADRP CN(C[C@@H](O)C[NH+]1CCC(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC001197031168 1368734038 /nfs/dbraw/zinc/73/40/38/1368734038.db2.gz IJGPKRFDNAABCE-LJQANCHMSA-N 2 0 336.907 3.050 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1)[NH+](CC)CC ZINC001197141715 1368753775 /nfs/dbraw/zinc/75/37/75/1368753775.db2.gz NHWMMIAPXJZQIF-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197188219 1368761619 /nfs/dbraw/zinc/76/16/19/1368761619.db2.gz WGDAUKSTXXFQGQ-GOSISDBHSA-N 2 0 339.568 3.181 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396738 1368805412 /nfs/dbraw/zinc/80/54/12/1368805412.db2.gz MFGWQKPLYFIYLZ-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001112440918 1368855512 /nfs/dbraw/zinc/85/55/12/1368855512.db2.gz IRDVZGGTQUVFFZ-UWJYYQICSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC001197793753 1368898206 /nfs/dbraw/zinc/89/82/06/1368898206.db2.gz AHUJVOCKMFNGDF-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001112531846 1368916911 /nfs/dbraw/zinc/91/69/11/1368916911.db2.gz TWJYJENUQAADNN-RXVVDRJESA-N 2 0 349.563 3.149 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540337 1368920720 /nfs/dbraw/zinc/92/07/20/1368920720.db2.gz QZWCVPYOVQICCO-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001197899418 1368921393 /nfs/dbraw/zinc/92/13/93/1368921393.db2.gz XZOOXWTYFIBUHE-SFHVURJKSA-N 2 0 331.504 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](CCC2CCCCCC2)CC1 ZINC001197922744 1368924227 /nfs/dbraw/zinc/92/42/27/1368924227.db2.gz SHEPHEQBBPVCEF-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112566115 1368930094 /nfs/dbraw/zinc/93/00/94/1368930094.db2.gz LIJJPBZRBHGXCM-SFMFPFJOSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198230230 1368985375 /nfs/dbraw/zinc/98/53/75/1368985375.db2.gz YWAPJYSHPZDSHL-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP CC(C)(C)CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112964923 1369112589 /nfs/dbraw/zinc/11/25/89/1369112589.db2.gz CKDJJNSLJWMBCW-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156779 1369233618 /nfs/dbraw/zinc/23/36/18/1369233618.db2.gz YGPXKYQKLSBXIR-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP CC(C)C1CCC(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC001199883171 1369284045 /nfs/dbraw/zinc/28/40/45/1369284045.db2.gz GVAQKOGVXFVSAX-UHFFFAOYSA-N 2 0 344.547 3.385 20 0 EGADRP CCCCCC[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001113348262 1369361921 /nfs/dbraw/zinc/36/19/21/1369361921.db2.gz FXFRWFQSOZSTHP-UHFFFAOYSA-N 2 0 345.531 3.129 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001200578413 1369393428 /nfs/dbraw/zinc/39/34/28/1369393428.db2.gz SHIWZTQFLCCKGR-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577997 1369393857 /nfs/dbraw/zinc/39/38/57/1369393857.db2.gz JNELMWDLDRIYNJ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)cc1 ZINC001113431927 1369423757 /nfs/dbraw/zinc/42/37/57/1369423757.db2.gz ARTZFYXIRFXMAC-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052385 1369472553 /nfs/dbraw/zinc/47/25/53/1369472553.db2.gz DVDRPEZIRUPNJK-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC001113529506 1369479869 /nfs/dbraw/zinc/47/98/69/1369479869.db2.gz UFGLBBPEYMACQV-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](C)CCC=C(C)C)CC[C@@H]2C1 ZINC001201487134 1369555188 /nfs/dbraw/zinc/55/51/88/1369555188.db2.gz OOFOIGRPQYMNQA-XUVXKRRUSA-N 2 0 338.536 3.038 20 0 EGADRP CCC[C@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001201549772 1369573389 /nfs/dbraw/zinc/57/33/89/1369573389.db2.gz CIKCMVUZJXCTBU-IBGZPJMESA-N 2 0 345.531 3.432 20 0 EGADRP CC(C)(C)CCC[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113723496 1369586409 /nfs/dbraw/zinc/58/64/09/1369586409.db2.gz WQECPFKMXQTWMM-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc4ncsc4c3)cc[nH+]2)CC1 ZINC001201658907 1369598034 /nfs/dbraw/zinc/59/80/34/1369598034.db2.gz MVMTYMYISDRKIX-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP COc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1Cl ZINC001201665873 1369600456 /nfs/dbraw/zinc/60/04/56/1369600456.db2.gz JUUBYACOOOYYEO-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP CCc1ccc(OC)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201668283 1369601958 /nfs/dbraw/zinc/60/19/58/1369601958.db2.gz UOVHOXZLFHNLRK-UHFFFAOYSA-N 2 0 326.444 3.148 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC([NH2+]CC3CCCCC3)CC2)CCCC1 ZINC001201839079 1369632386 /nfs/dbraw/zinc/63/23/86/1369632386.db2.gz JBSCOKLHRLLAJD-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001201935484 1369646134 /nfs/dbraw/zinc/64/61/34/1369646134.db2.gz MRVDETLHFJOEOX-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]CC(CC)CC)CC2)C1 ZINC001202144808 1369700277 /nfs/dbraw/zinc/70/02/77/1369700277.db2.gz JZDOBPSWQYXDNE-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP c1cnn(C[C@@H]2C[C@@H]3C[N@H+](CC4CCCC4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001202159526 1369703488 /nfs/dbraw/zinc/70/34/88/1369703488.db2.gz DPEDRRVLMVIGPT-HKBOAZHASA-N 2 0 342.531 3.248 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1)[NH+](CC)CC ZINC001202473901 1369782950 /nfs/dbraw/zinc/78/29/50/1369782950.db2.gz RTXZNLLCRDXFCT-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1)[NH+](CC)CC ZINC001202473318 1369783224 /nfs/dbraw/zinc/78/32/24/1369783224.db2.gz IBRJIQFDYLLSID-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001202527087 1369799411 /nfs/dbraw/zinc/79/94/11/1369799411.db2.gz WVYNBOQIIQGPJW-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1 ZINC001202598333 1369818330 /nfs/dbraw/zinc/81/83/30/1369818330.db2.gz KOPXPLRKMKZPEQ-NRFANRHFSA-N 2 0 328.500 3.401 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001186982119 1388035132 /nfs/dbraw/zinc/03/51/32/1388035132.db2.gz XSLYZUGAXHZBKT-MFDDNUIFSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001186995159 1388036651 /nfs/dbraw/zinc/03/66/51/1388036651.db2.gz VAMMOJDUVXCWLD-NQIIRXRSSA-N 2 0 345.531 3.090 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186994141 1388037220 /nfs/dbraw/zinc/03/72/20/1388037220.db2.gz BICRSOWCZPQPHP-TZIWHRDSSA-N 2 0 345.531 3.090 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1)C1CC1 ZINC001325744002 1388039442 /nfs/dbraw/zinc/03/94/42/1388039442.db2.gz RPQPLALUSBHLRN-VAMGGRTRSA-N 2 0 341.499 3.436 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203104036 1369984505 /nfs/dbraw/zinc/98/45/05/1369984505.db2.gz PRSWGJQUPQNMGM-ZWKOTPCHSA-N 2 0 349.563 3.457 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001203130754 1369992237 /nfs/dbraw/zinc/99/22/37/1369992237.db2.gz GATLLZJPZFGHNU-MSOLQXFVSA-N 2 0 340.471 3.155 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001203130756 1369992329 /nfs/dbraw/zinc/99/23/29/1369992329.db2.gz GATLLZJPZFGHNU-ROUUACIJSA-N 2 0 340.471 3.155 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001114626692 1369999208 /nfs/dbraw/zinc/99/92/08/1369999208.db2.gz KARHRXUQFJRGCA-RKLDMOOISA-N 2 0 347.547 3.044 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313488 1370078056 /nfs/dbraw/zinc/07/80/56/1370078056.db2.gz RMXWWIWFAVMCGD-YLJYHZDGSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]C[C@H](F)CC)CC1 ZINC001203313217 1370078412 /nfs/dbraw/zinc/07/84/12/1370078412.db2.gz OKBSYKIOZRDYDV-QGZVFWFLSA-N 2 0 343.531 3.217 20 0 EGADRP CC[C@H](F)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313833 1370078576 /nfs/dbraw/zinc/07/85/76/1370078576.db2.gz UJLLYGPHWICQLS-HKUYNNGSSA-N 2 0 349.494 3.008 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330623 1370084938 /nfs/dbraw/zinc/08/49/38/1370084938.db2.gz MLGSNCFWGLHIFR-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203333524 1370086745 /nfs/dbraw/zinc/08/67/45/1370086745.db2.gz UMOXTLAAAKYXJS-WYNBNGFRSA-N 2 0 347.547 3.092 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425632 1370119890 /nfs/dbraw/zinc/11/98/90/1370119890.db2.gz DBHQIZDQBNSHPM-YQJUVHNHSA-N 2 0 349.563 3.338 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001203443778 1370129179 /nfs/dbraw/zinc/12/91/79/1370129179.db2.gz YYADGZBOYWFICM-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203539563 1370161586 /nfs/dbraw/zinc/16/15/86/1370161586.db2.gz OLIZRZJCNCIKMI-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203576490 1370176502 /nfs/dbraw/zinc/17/65/02/1370176502.db2.gz DWVKBJWMZPTTRN-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772182 1370258517 /nfs/dbraw/zinc/25/85/17/1370258517.db2.gz QGJLZBUPZMBRIT-MOPGFXCFSA-N 2 0 349.563 3.460 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203902574 1370307483 /nfs/dbraw/zinc/30/74/83/1370307483.db2.gz GOFMIEBOBYACNK-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203903055 1370307508 /nfs/dbraw/zinc/30/75/08/1370307508.db2.gz JSZBBKVIKPJNQL-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203903056 1370307750 /nfs/dbraw/zinc/30/77/50/1370307750.db2.gz JSZBBKVIKPJNQL-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](C1CCOCC1)C1CCN(Cc2ccnc3ccccc23)CC1 ZINC001204088154 1370373904 /nfs/dbraw/zinc/37/39/04/1370373904.db2.gz LDEXHWMHBHXEAS-UHFFFAOYSA-N 2 0 339.483 3.310 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@](C)(CO)CC2)cc1 ZINC001204264377 1370426134 /nfs/dbraw/zinc/42/61/34/1370426134.db2.gz UXQBCEZIFCQEDO-FQEVSTJZSA-N 2 0 334.504 3.002 20 0 EGADRP CCCOc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001204308213 1370439395 /nfs/dbraw/zinc/43/93/95/1370439395.db2.gz SRBIOAZNDJMRBH-UHFFFAOYSA-N 2 0 335.536 3.181 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001115536699 1370533512 /nfs/dbraw/zinc/53/35/12/1370533512.db2.gz DLDQIJXGRBXMCG-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536738 1370533677 /nfs/dbraw/zinc/53/36/77/1370533677.db2.gz FXJNEYGACUZTJI-MSOLQXFVSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537140 1370534159 /nfs/dbraw/zinc/53/41/59/1370534159.db2.gz YAJGYAGCEIFNQF-RTBURBONSA-N 2 0 349.563 3.460 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543449 1370540209 /nfs/dbraw/zinc/54/02/09/1370540209.db2.gz ISYWIDLNZYRMEI-OSFIAYCASA-N 2 0 335.536 3.092 20 0 EGADRP Oc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC001204742436 1370561953 /nfs/dbraw/zinc/56/19/53/1370561953.db2.gz NYQVJIMSCXONQX-UHFFFAOYSA-N 2 0 328.378 3.377 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCCC1 ZINC001115563419 1370563087 /nfs/dbraw/zinc/56/30/87/1370563087.db2.gz UDZKJOQUPHOWSH-IRXDYDNUSA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115571785 1370574007 /nfs/dbraw/zinc/57/40/07/1370574007.db2.gz OQJCPEDPTUYJIE-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCCCC2)C1 ZINC001115579570 1370583128 /nfs/dbraw/zinc/58/31/28/1370583128.db2.gz UVIICVQGWQYNQM-ACBHZAAOSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115592156 1370592973 /nfs/dbraw/zinc/59/29/73/1370592973.db2.gz WPDHYXHFHHLWJT-OALUTQOASA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCCC1)[NH+](C)C ZINC001115591838 1370593240 /nfs/dbraw/zinc/59/32/40/1370593240.db2.gz HPSKKXBRIUENGN-QZTJIDSGSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](C[C@@H]1[C@@H](C)CNCC1(F)F)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870652 1370593972 /nfs/dbraw/zinc/59/39/72/1370593972.db2.gz ZGEKHLPDGXSMFD-HDMKZQKVSA-N 2 0 340.458 3.439 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115596427 1370597213 /nfs/dbraw/zinc/59/72/13/1370597213.db2.gz GQMZSZLIMZWMNE-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614591 1370612714 /nfs/dbraw/zinc/61/27/14/1370612714.db2.gz JNQAIKZQQUAITF-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001115617405 1370614077 /nfs/dbraw/zinc/61/40/77/1370614077.db2.gz UVSUNBCUHGBAMN-UHFFFAOYSA-N 2 0 340.471 3.157 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617422 1370614377 /nfs/dbraw/zinc/61/43/77/1370614377.db2.gz VKOSSUWVGQTSSX-MRXNPFEDSA-N 2 0 342.487 3.403 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001205002052 1370625024 /nfs/dbraw/zinc/62/50/24/1370625024.db2.gz YHIQUFYBGFRFND-OAHLLOKOSA-N 2 0 325.294 3.313 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)CC2([NH+](C)C)CCCC2)CCCCC1 ZINC001115649897 1370638212 /nfs/dbraw/zinc/63/82/12/1370638212.db2.gz DKBHXJMPNGXAHA-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC001205145756 1370663178 /nfs/dbraw/zinc/66/31/78/1370663178.db2.gz FQHDXUPYCATBQY-WCQYABFASA-N 2 0 334.261 3.024 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)CC1 ZINC001115696209 1370677605 /nfs/dbraw/zinc/67/76/05/1370677605.db2.gz LJSXOCUBTRKLAG-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)CC1 ZINC001115696077 1370677610 /nfs/dbraw/zinc/67/76/10/1370677610.db2.gz DYEUPFWYPMKIQB-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCCOc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205209475 1370681096 /nfs/dbraw/zinc/68/10/96/1370681096.db2.gz JRDPGMHRBIHDRE-HXUWFJFHSA-N 2 0 334.504 3.321 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC001205221173 1370685944 /nfs/dbraw/zinc/68/59/44/1370685944.db2.gz QKDIGQGMTDDQJU-FQEVSTJZSA-N 2 0 328.431 3.168 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001205230687 1370688563 /nfs/dbraw/zinc/68/85/63/1370688563.db2.gz TYDOYQLOSZXILJ-AWEZNQCLSA-N 2 0 336.785 3.035 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242591 1370693213 /nfs/dbraw/zinc/69/32/13/1370693213.db2.gz RYYAUUDSEIWWRW-UEKDZROGSA-N 2 0 335.536 3.044 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC001205247180 1370694409 /nfs/dbraw/zinc/69/44/09/1370694409.db2.gz CKYOFNDOZZCXTH-NRFANRHFSA-N 2 0 346.515 3.321 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715519 1370694604 /nfs/dbraw/zinc/69/46/04/1370694604.db2.gz LTWWVFZNMMQTMX-GOSISDBHSA-N 2 0 339.568 3.418 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715461 1370694672 /nfs/dbraw/zinc/69/46/72/1370694672.db2.gz JWHFPSHHJYWUSI-JTHGQSKGSA-N 2 0 337.552 3.338 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)CC1 ZINC001205248159 1370694878 /nfs/dbraw/zinc/69/48/78/1370694878.db2.gz NIHLCJGUOLEFIF-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205281865 1370704776 /nfs/dbraw/zinc/70/47/76/1370704776.db2.gz ZAUXZBZYXOTYGE-HXUWFJFHSA-N 2 0 348.487 3.350 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283743 1370706046 /nfs/dbraw/zinc/70/60/46/1370706046.db2.gz FGSBIHLIRYFKFF-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726538 1370707515 /nfs/dbraw/zinc/70/75/15/1370707515.db2.gz HJVAAAURSFZMAQ-IAGOWNOFSA-N 2 0 343.531 3.264 20 0 EGADRP C[C@H]1CC[N@H+](CCCc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC001205295648 1370710079 /nfs/dbraw/zinc/71/00/79/1370710079.db2.gz AXGHOHVVFHDRFS-ZFWWWQNUSA-N 2 0 325.294 3.298 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296303 1370711602 /nfs/dbraw/zinc/71/16/02/1370711602.db2.gz LKQYYXJWRJYZIG-HXUWFJFHSA-N 2 0 325.456 3.461 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC1CCCC1 ZINC001205303445 1370713978 /nfs/dbraw/zinc/71/39/78/1370713978.db2.gz FSKXOBMBYQZFEG-NVXWUHKLSA-N 2 0 332.488 3.433 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115760593 1370744743 /nfs/dbraw/zinc/74/47/43/1370744743.db2.gz OFKCESFXFHJKGJ-LJQANCHMSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115769031 1370753143 /nfs/dbraw/zinc/75/31/43/1370753143.db2.gz SLJMISLMBZSHCI-MSOLQXFVSA-N 2 0 335.536 3.212 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1 ZINC001115777372 1370760268 /nfs/dbraw/zinc/76/02/68/1370760268.db2.gz VMQDVGNXWIGEST-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1)C1CC1 ZINC001205460991 1370762684 /nfs/dbraw/zinc/76/26/84/1370762684.db2.gz CENLWDJSGASMBM-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205462130 1370763261 /nfs/dbraw/zinc/76/32/61/1370763261.db2.gz SQWVKGIAWOTJAI-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205518743 1370778273 /nfs/dbraw/zinc/77/82/73/1370778273.db2.gz JLOUPPQGEDKAHV-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205526138 1370781340 /nfs/dbraw/zinc/78/13/40/1370781340.db2.gz GPDFEWQDVPQFNB-SFFCAUCYSA-N 2 0 335.536 3.045 20 0 EGADRP CCn1cc(CN2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001205557518 1370790412 /nfs/dbraw/zinc/79/04/12/1370790412.db2.gz TUXZBADJHJZRCB-OAQYLSRUSA-N 2 0 338.499 3.391 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC001205562051 1370791994 /nfs/dbraw/zinc/79/19/94/1370791994.db2.gz OGNJGHCAWWXLKE-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205570004 1370794559 /nfs/dbraw/zinc/79/45/59/1370794559.db2.gz CIIMEKJORUOBGS-AWEZNQCLSA-N 2 0 338.320 3.377 20 0 EGADRP C[C@@H]1CC[N@H+](CCc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC001205601636 1370806763 /nfs/dbraw/zinc/80/67/63/1370806763.db2.gz FMFRUGFSEFNTDB-HIFRSBDPSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205602576 1370806906 /nfs/dbraw/zinc/80/69/06/1370806906.db2.gz JYBAEMBJNHOAER-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1CC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205627571 1370817397 /nfs/dbraw/zinc/81/73/97/1370817397.db2.gz QVYYELORUHDDBV-QWHCGFSZSA-N 2 0 342.940 3.204 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205627562 1370817833 /nfs/dbraw/zinc/81/78/33/1370817833.db2.gz QVYYELORUHDDBV-CHWSQXEVSA-N 2 0 342.940 3.204 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC)cc1Cl ZINC001205638626 1370822836 /nfs/dbraw/zinc/82/28/36/1370822836.db2.gz QDIDOCULARNJFC-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205651915 1370829289 /nfs/dbraw/zinc/82/92/89/1370829289.db2.gz LQWVJQMBTKWTAG-HOCLYGCPSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccnc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC001205665657 1370835291 /nfs/dbraw/zinc/83/52/91/1370835291.db2.gz SZFIHANXMZRZCC-FXAWDEMLSA-N 2 0 339.483 3.467 20 0 EGADRP COc1ccc(-c2ccccc2)c(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205726214 1370853357 /nfs/dbraw/zinc/85/33/57/1370853357.db2.gz RAKROVQPQMETTE-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751513 1370859813 /nfs/dbraw/zinc/85/98/13/1370859813.db2.gz GKIYJGISHHQOQA-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205769448 1370864674 /nfs/dbraw/zinc/86/46/74/1370864674.db2.gz YQWGZUWREIICHO-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccc(F)cc1 ZINC001116289278 1370879382 /nfs/dbraw/zinc/87/93/82/1370879382.db2.gz PDXZGJZSGPTRDK-KRWDZBQOSA-N 2 0 341.474 3.424 20 0 EGADRP C1=CC2(CC[NH2+]CC2)c2c1cccc2-c1cccc(N2CC[NH2+]CC2)c1 ZINC001205907917 1370906978 /nfs/dbraw/zinc/90/69/78/1370906978.db2.gz GPCSLCMDADLOBX-UHFFFAOYSA-N 2 0 345.490 3.411 20 0 EGADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205913197 1370908346 /nfs/dbraw/zinc/90/83/46/1370908346.db2.gz HMIWYNBVJNEEGZ-RYUDHWBXSA-N 2 0 336.277 3.490 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@]2(CC)CC[NH2+]C2)c1 ZINC001326027118 1388102371 /nfs/dbraw/zinc/10/23/71/1388102371.db2.gz NDKUHUUCWHNDRD-OAQYLSRUSA-N 2 0 345.531 3.315 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n(C)n1 ZINC001205940982 1370919174 /nfs/dbraw/zinc/91/91/74/1370919174.db2.gz GVCZHCKWPRIHNW-VQTJNVASSA-N 2 0 338.499 3.073 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1OCC1CC1 ZINC001206003554 1370935621 /nfs/dbraw/zinc/93/56/21/1370935621.db2.gz JRKIFXFNGPZFJG-CRAIPNDOSA-N 2 0 332.488 3.291 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(Oc3ncccn3)cc2)CCC[C@@H]1C[NH3+] ZINC001206005880 1370936286 /nfs/dbraw/zinc/93/62/86/1370936286.db2.gz ZDOKBKVDZIQKTF-NVXWUHKLSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012824 1370937884 /nfs/dbraw/zinc/93/78/84/1370937884.db2.gz ODGLXNSLSJKGAX-LSDHHAIUSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@H]1C[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CCC[C@@H]1C[NH3+] ZINC001206013510 1370938440 /nfs/dbraw/zinc/93/84/40/1370938440.db2.gz RTQGSVKOBZXJOJ-WDEREUQCSA-N 2 0 346.422 3.221 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206025075 1370942172 /nfs/dbraw/zinc/94/21/72/1370942172.db2.gz MBSVAZJUZBXZMU-NWDGAFQWSA-N 2 0 332.366 3.098 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206026246 1370942543 /nfs/dbraw/zinc/94/25/43/1370942543.db2.gz RCAVIFBHFIKSQJ-HOCLYGCPSA-N 2 0 332.879 3.333 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc2c1NC(C)(C)C=C2 ZINC001206211429 1370993924 /nfs/dbraw/zinc/99/39/24/1370993924.db2.gz OLAWQLMSNIGDKR-HOTGVXAUSA-N 2 0 333.451 3.174 20 0 EGADRP COC(=O)c1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001116881640 1370994644 /nfs/dbraw/zinc/99/46/44/1370994644.db2.gz WGUMMFYFWCAXMT-LJQANCHMSA-N 2 0 338.451 3.085 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311481 1371018191 /nfs/dbraw/zinc/01/81/91/1371018191.db2.gz PSNSBNRADJIDNV-HXUWFJFHSA-N 2 0 343.471 3.296 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206487893 1371070342 /nfs/dbraw/zinc/07/03/42/1371070342.db2.gz MIKNMKMBZYZSGY-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]CCCCC[NH+]3CCCC3)cc2)cn1 ZINC001117744994 1371073278 /nfs/dbraw/zinc/07/32/78/1371073278.db2.gz DKPNRXWDABWSOH-UHFFFAOYSA-N 2 0 326.488 3.443 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1OC(=O)C(C)C ZINC001206566351 1371095196 /nfs/dbraw/zinc/09/51/96/1371095196.db2.gz ZZWZZYAOBGLVSQ-FQEVSTJZSA-N 2 0 348.487 3.208 20 0 EGADRP COc1ccc(-c2c(C[N@@H+]3CCCC[C@@](C)(C[NH3+])C3)cnn2C)cc1 ZINC001206565419 1371095347 /nfs/dbraw/zinc/09/53/47/1371095347.db2.gz SSHAMTXTHKWXTJ-FQEVSTJZSA-N 2 0 342.487 3.047 20 0 EGADRP COc1ncccc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001206589730 1371102235 /nfs/dbraw/zinc/10/22/35/1371102235.db2.gz KRELHONMIOKJNU-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC001117953905 1371113089 /nfs/dbraw/zinc/11/30/89/1371113089.db2.gz SPNNAMSQYXTLPK-MRXNPFEDSA-N 2 0 335.455 3.022 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OCC[NH+]2CCCCC2)cc1 ZINC001206709375 1371141774 /nfs/dbraw/zinc/14/17/74/1371141774.db2.gz IQXCVNSMXZPCND-AERCQKQUSA-N 2 0 328.500 3.400 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1OC(F)(F)F ZINC001206810812 1371176575 /nfs/dbraw/zinc/17/65/75/1371176575.db2.gz PSTWDNDPGAHGIK-AAEUAGOBSA-N 2 0 332.366 3.153 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206857408 1371190838 /nfs/dbraw/zinc/19/08/38/1371190838.db2.gz LXKNQVKVNWRWFW-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857084 1371191255 /nfs/dbraw/zinc/19/12/55/1371191255.db2.gz HPYPGGZOJARIJH-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857082 1371191460 /nfs/dbraw/zinc/19/14/60/1371191460.db2.gz HPYPGGZOJARIJH-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206857407 1371191490 /nfs/dbraw/zinc/19/14/90/1371191490.db2.gz LXKNQVKVNWRWFW-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952463 1371243870 /nfs/dbraw/zinc/24/38/70/1371243870.db2.gz PSZYHGMJSYRKKC-PXDRNWIDSA-N 2 0 349.563 3.435 20 0 EGADRP C[N@@H+](Cc1ccc[nH]c1=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207008933 1371266182 /nfs/dbraw/zinc/26/61/82/1371266182.db2.gz NZRIWRVJGNQPFS-UHFFFAOYSA-N 2 0 325.456 3.131 20 0 EGADRP CN(C)c1ncc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC001119031300 1371266503 /nfs/dbraw/zinc/26/65/03/1371266503.db2.gz LAIWCLHUOFDAMS-PBHICJAKSA-N 2 0 336.549 3.329 20 0 EGADRP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC001119031302 1371266603 /nfs/dbraw/zinc/26/66/03/1371266603.db2.gz LAIWCLHUOFDAMS-WMLDXEAASA-N 2 0 336.549 3.329 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC001207189046 1371323771 /nfs/dbraw/zinc/32/37/71/1371323771.db2.gz XNWYYQJFDPBFKP-FXAWDEMLSA-N 2 0 347.934 3.155 20 0 EGADRP COC(C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1)OC ZINC001207253722 1371341723 /nfs/dbraw/zinc/34/17/23/1371341723.db2.gz SVICBOUMZDPQAI-UHFFFAOYSA-N 2 0 346.515 3.292 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(C)O ZINC001207287645 1371351025 /nfs/dbraw/zinc/35/10/25/1371351025.db2.gz VJWKWYBOBKNBCV-WIYYLYMNSA-N 2 0 330.516 3.382 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH+]3CCC([NH+]4CCCC4)CC3)CC2)cc1 ZINC001207286732 1371351105 /nfs/dbraw/zinc/35/11/05/1371351105.db2.gz LAGCFNYAIMVHIK-UHFFFAOYSA-N 3 0 341.543 3.459 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC001207287456 1371351405 /nfs/dbraw/zinc/35/14/05/1371351405.db2.gz DWYPWIBOFHIMAR-HXUWFJFHSA-N 2 0 329.532 3.269 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207288204 1371351782 /nfs/dbraw/zinc/35/17/82/1371351782.db2.gz JIXFKIXRCRBXNO-WOJBJXKFSA-N 3 0 329.532 3.028 20 0 EGADRP FC1(F)CC[N@H+](CC2CC[NH2+]CC2)C[C@@]12CCN(c1ccccc1)C2 ZINC001207435873 1371395189 /nfs/dbraw/zinc/39/51/89/1371395189.db2.gz ZAGVZWWBURICFN-LJQANCHMSA-N 2 0 349.469 3.224 20 0 EGADRP COc1ccccc1CC[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001207454391 1371399975 /nfs/dbraw/zinc/39/99/75/1371399975.db2.gz JUELZZZAPVLLFL-HDICACEKSA-N 2 0 342.508 3.363 20 0 EGADRP COC[C@H](C)[N@H+](CCC1CC[NH+](C)CC1)Cc1cccc(OC)c1 ZINC001207486926 1371410552 /nfs/dbraw/zinc/41/05/52/1371410552.db2.gz OXWFXUHFDJRXKU-KRWDZBQOSA-N 2 0 334.504 3.264 20 0 EGADRP COc1ccccc1OC1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207486223 1371411051 /nfs/dbraw/zinc/41/10/51/1371411051.db2.gz DRAWISVXGRXIMN-UHFFFAOYSA-N 2 0 332.488 3.270 20 0 EGADRP COC(=O)C[C@H](C)[N@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207487945 1371412046 /nfs/dbraw/zinc/41/20/46/1371412046.db2.gz ZLCLXNRDSRRRFO-KRWDZBQOSA-N 2 0 332.488 3.172 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)C[C@H]2C1 ZINC001119990948 1371444923 /nfs/dbraw/zinc/44/49/23/1371444923.db2.gz ZZNUZMJLCRXHHL-LZLYRXPVSA-N 2 0 325.456 3.103 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616816 1371453196 /nfs/dbraw/zinc/45/31/96/1371453196.db2.gz FXUXDQPMMUMDAZ-QRTFGMIHSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001207758033 1371495537 /nfs/dbraw/zinc/49/55/37/1371495537.db2.gz SCDRQRPJRFGVRG-ZIFCJYIRSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120189649 1371503144 /nfs/dbraw/zinc/50/31/44/1371503144.db2.gz MXUCQMBZBKLVCZ-HDICACEKSA-N 2 0 349.563 3.458 20 0 EGADRP CC1CC(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001207789651 1371505499 /nfs/dbraw/zinc/50/54/99/1371505499.db2.gz CRMVVPZKUDHXER-MPLMCADHSA-N 2 0 349.563 3.122 20 0 EGADRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001207858114 1371521538 /nfs/dbraw/zinc/52/15/38/1371521538.db2.gz DRWZCLBFQKCRIS-SFHVURJKSA-N 2 0 345.531 3.310 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCCO4)CC[C@@H]3C2)cc1 ZINC001207963315 1371552252 /nfs/dbraw/zinc/55/22/52/1371552252.db2.gz FVCLGXMKDAOHPN-NJDAHSKKSA-N 2 0 328.500 3.400 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120449446 1371581300 /nfs/dbraw/zinc/58/13/00/1371581300.db2.gz MGNUBZIPHHQIPE-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073203 1371588391 /nfs/dbraw/zinc/58/83/91/1371588391.db2.gz FEOWXRTWPWVGSE-HOHRJFBBSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CCCn1cccn1)CC2 ZINC001208077337 1371589266 /nfs/dbraw/zinc/58/92/66/1371589266.db2.gz ZGAKAXJPQKXKCE-LJQANCHMSA-N 2 0 342.487 3.243 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208091902 1371593770 /nfs/dbraw/zinc/59/37/70/1371593770.db2.gz GOENCWYHSUNQDZ-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCOC(=O)[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@H]2CCCC[C@@H]12 ZINC001208108944 1371596742 /nfs/dbraw/zinc/59/67/42/1371596742.db2.gz HDNRUPJNCOZNLU-KURKYZTESA-N 2 0 336.520 3.020 20 0 EGADRP CS[C@@H](C)CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001208142267 1371607720 /nfs/dbraw/zinc/60/77/20/1371607720.db2.gz DVZMVYFNDOIBSU-SFHVURJKSA-N 2 0 348.556 3.495 20 0 EGADRP COc1ccc(CC[N@H+](C[C@H](C)O)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208185256 1371625776 /nfs/dbraw/zinc/62/57/76/1371625776.db2.gz ZCAWWPQXEMOLAS-SFHVURJKSA-N 2 0 348.531 3.043 20 0 EGADRP Cc1cccnc1O[C@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208187796 1371627872 /nfs/dbraw/zinc/62/78/72/1371627872.db2.gz AEBXKIOMVQOLQF-SFHVURJKSA-N 2 0 331.504 3.355 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208261734 1371687803 /nfs/dbraw/zinc/68/78/03/1371687803.db2.gz RERZUVOCEJTLGH-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330625 1371719145 /nfs/dbraw/zinc/71/91/45/1371719145.db2.gz AUDKSNCLOZHWJK-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330955 1371720664 /nfs/dbraw/zinc/72/06/64/1371720664.db2.gz IDZKILKMQOKXPJ-QUOWSDGJSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208585304 1371827820 /nfs/dbraw/zinc/82/78/20/1371827820.db2.gz KIIUUZKSCHOXSZ-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP CC[N@H+](C)C1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208594314 1371832598 /nfs/dbraw/zinc/83/25/98/1371832598.db2.gz MSCHJUPMRUKUSN-NRFANRHFSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC001208603082 1371837223 /nfs/dbraw/zinc/83/72/23/1371837223.db2.gz UZPBPLHQHDOZJG-UHFFFAOYSA-N 2 0 344.503 3.004 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208609375 1371839699 /nfs/dbraw/zinc/83/96/99/1371839699.db2.gz JIOIFYLQKRJMAO-MRXNPFEDSA-N 2 0 326.488 3.095 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CCC[C@H]([NH+](Cc3ccccc3)C3CC3)C2)C1 ZINC001208615210 1371841306 /nfs/dbraw/zinc/84/13/06/1371841306.db2.gz HELNKZCVTBKODZ-UNMCSNQZSA-N 2 0 341.543 3.457 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208615661 1371842184 /nfs/dbraw/zinc/84/21/84/1371842184.db2.gz IMCMIYQCNVHINT-YZGWKJHDSA-N 2 0 344.499 3.140 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208647239 1371850823 /nfs/dbraw/zinc/85/08/23/1371850823.db2.gz ZHTFPRSAIMYZEU-IAGOWNOFSA-N 2 0 339.568 3.227 20 0 EGADRP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CCC1CC1)CC2 ZINC001208680856 1371859238 /nfs/dbraw/zinc/85/92/38/1371859238.db2.gz ITLZSVMPOQRDFY-QGZVFWFLSA-N 2 0 349.544 3.246 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CC[NH2+]C1 ZINC001326355568 1388164920 /nfs/dbraw/zinc/16/49/20/1388164920.db2.gz ARCUKHVBJGFSRI-FQEVSTJZSA-N 2 0 329.488 3.247 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@H]([NH2+]CC3CCCC3)C2)CCCC1 ZINC001208771218 1371891632 /nfs/dbraw/zinc/89/16/32/1371891632.db2.gz XHLXBYFFFRMQBE-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)Oc1ncccc1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001208801959 1371901857 /nfs/dbraw/zinc/90/18/57/1371901857.db2.gz WKABHJAFPPGYLB-UHFFFAOYSA-N 2 0 331.504 3.219 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121234332 1371902978 /nfs/dbraw/zinc/90/29/78/1371902978.db2.gz YHYJORSOOARWBN-MBEFBZSESA-N 2 0 349.563 3.457 20 0 EGADRP CN1CCC[C@@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824422 1371907269 /nfs/dbraw/zinc/90/72/69/1371907269.db2.gz HVTVNQKWLOIKAM-WBVHZDCISA-N 2 0 337.305 3.408 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001208928793 1371948957 /nfs/dbraw/zinc/94/89/57/1371948957.db2.gz LFNZZJMNWDAUEC-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])C1CCCCC1)c1ccccc1 ZINC001326371997 1388169512 /nfs/dbraw/zinc/16/95/12/1388169512.db2.gz VGFWAGHRPQWHSA-QAPCUYQASA-N 2 0 331.504 3.140 20 0 EGADRP COCOCCC[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209027198 1371977010 /nfs/dbraw/zinc/97/70/10/1371977010.db2.gz STGOWASYSARBPC-UFYCRDLUSA-N 2 0 332.488 3.108 20 0 EGADRP CC(C)C[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001121462469 1371982747 /nfs/dbraw/zinc/98/27/47/1371982747.db2.gz IMYWVTODKQGWLN-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001121508873 1371995317 /nfs/dbraw/zinc/99/53/17/1371995317.db2.gz ZSZZQQDVMFHWEW-WAYWQWQTSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001209137678 1372010526 /nfs/dbraw/zinc/01/05/26/1372010526.db2.gz HUCANQBAFLQRJY-UHFFFAOYSA-N 2 0 341.540 3.296 20 0 EGADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](CCc4ccc5c(c4)CCO5)C[C@H]3C2)cc1 ZINC001209146484 1372013850 /nfs/dbraw/zinc/01/38/50/1372013850.db2.gz KHBORBNEMVZYKU-VXKWHMMOSA-N 2 0 348.490 3.228 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209206086 1372037718 /nfs/dbraw/zinc/03/77/18/1372037718.db2.gz XDYQDSQLWQTBOH-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001121687374 1372046569 /nfs/dbraw/zinc/04/65/69/1372046569.db2.gz NTIXNLYCNJWVGM-WOLZCAMPSA-N 2 0 349.563 3.027 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2CC3(CC(NC(=O)CC[NH+](C)C)C3)C2)c1 ZINC001121696306 1372049807 /nfs/dbraw/zinc/04/98/07/1372049807.db2.gz NRBRATHCKVDSBR-WOLZCAMPSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2)[NH+](C)C ZINC001121729283 1372061248 /nfs/dbraw/zinc/06/12/48/1372061248.db2.gz ZGJOUFAECNGJFQ-MBEFBZSESA-N 2 0 347.547 3.090 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121728568 1372061736 /nfs/dbraw/zinc/06/17/36/1372061736.db2.gz SCDOEAQZPDZSJR-QAELIBMJSA-N 2 0 337.552 3.026 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001209302524 1372063327 /nfs/dbraw/zinc/06/33/27/1372063327.db2.gz GMCUTLHMEOBZKN-RTBURBONSA-N 2 0 343.515 3.060 20 0 EGADRP c1ccc(C[NH+]2C[C@H]3C[NH+](CC4Cc5ccccc5C4)C[C@@H]3C2)cc1 ZINC001209321713 1372069056 /nfs/dbraw/zinc/06/90/56/1372069056.db2.gz JMRVLTHLPSRANY-GOTSBHOMSA-N 2 0 332.491 3.465 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772446 1372076328 /nfs/dbraw/zinc/07/63/28/1372076328.db2.gz AKILOONORUQCJJ-FSCGBILYSA-N 2 0 347.547 3.092 20 0 EGADRP C[N@H+](CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2)CC(C)(C)C ZINC001121791376 1372081894 /nfs/dbraw/zinc/08/18/94/1372081894.db2.gz OJIFPHRCXHBPEW-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP COC1CCC(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001209395909 1372089884 /nfs/dbraw/zinc/08/98/84/1372089884.db2.gz OFYCMTWFYGWWQE-JWFWCLOMSA-N 2 0 328.500 3.255 20 0 EGADRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209417696 1372100288 /nfs/dbraw/zinc/10/02/88/1372100288.db2.gz XDHJOOORQGRECS-RLLQIKCJSA-N 2 0 328.500 3.398 20 0 EGADRP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209417694 1372100576 /nfs/dbraw/zinc/10/05/76/1372100576.db2.gz XDHJOOORQGRECS-HOJAQTOUSA-N 2 0 328.500 3.398 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C[C@H]1C[C@H]1C)CC2 ZINC001209417316 1372100739 /nfs/dbraw/zinc/10/07/39/1372100739.db2.gz VVMBCWSRHJDVPG-ZACQAIPSSA-N 2 0 349.544 3.102 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209448991 1372108920 /nfs/dbraw/zinc/10/89/20/1372108920.db2.gz OOIGPXCBFNSFIN-UHFFFAOYSA-N 2 0 329.532 3.459 20 0 EGADRP Cc1ccc2[nH]cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c2c1 ZINC001209493518 1372120784 /nfs/dbraw/zinc/12/07/84/1372120784.db2.gz IORSKNYMKMOKGN-UHFFFAOYSA-N 2 0 330.520 3.182 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH]1 ZINC001209573187 1372140620 /nfs/dbraw/zinc/14/06/20/1372140620.db2.gz ZWRDUYHUNGWVOJ-UHFFFAOYSA-N 2 0 345.512 3.252 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)CC1 ZINC001209623916 1372154377 /nfs/dbraw/zinc/15/43/77/1372154377.db2.gz UQRNEIDPKMGFCE-UHFFFAOYSA-N 2 0 342.531 3.236 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001122024163 1372155374 /nfs/dbraw/zinc/15/53/74/1372155374.db2.gz ZCTSOBCJAIRSGM-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209659906 1372163681 /nfs/dbraw/zinc/16/36/81/1372163681.db2.gz KBZVVTPJCPMSSN-HPFMTEOYSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001209688527 1372170411 /nfs/dbraw/zinc/17/04/11/1372170411.db2.gz CYBSGKBUGBJULD-HKUYNNGSSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001209691456 1372171680 /nfs/dbraw/zinc/17/16/80/1372171680.db2.gz VYWHCKPEADOZIB-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122243075 1372210537 /nfs/dbraw/zinc/21/05/37/1372210537.db2.gz ZNMJRKHMWPKAHB-QAELIBMJSA-N 2 0 335.536 3.068 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952350 1372240002 /nfs/dbraw/zinc/24/00/02/1372240002.db2.gz PRJNBVMBGNICHZ-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)Oc1ccccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001210023770 1372258572 /nfs/dbraw/zinc/25/85/72/1372258572.db2.gz VCSHTTXGNYDVGG-UHFFFAOYSA-N 2 0 326.444 3.364 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCCCC)C1 ZINC001210182998 1372289698 /nfs/dbraw/zinc/28/96/98/1372289698.db2.gz JXXIPTSKNBRUGD-GOSISDBHSA-N 2 0 325.541 3.269 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001210183324 1372290045 /nfs/dbraw/zinc/29/00/45/1372290045.db2.gz OEZDEAACDJAXTB-ACBHZAAOSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)C(C)C ZINC001210189365 1372291602 /nfs/dbraw/zinc/29/16/02/1372291602.db2.gz CXHHIMDZPUVRBB-QZTJIDSGSA-N 2 0 343.531 3.073 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[NH+](CC)CC)C2)cc1 ZINC001210219031 1372296948 /nfs/dbraw/zinc/29/69/48/1372296948.db2.gz SCZOETGLGNRZNE-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP c1ccc(-c2ccncc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210263070 1372308708 /nfs/dbraw/zinc/30/87/08/1372308708.db2.gz YSIXUMDIPSVSOI-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP c1cc2c3c(ccc(Nc4cc[nH+]c(N5CC[NH2+]CC5)c4)c3c1)CC2 ZINC001210267710 1372311158 /nfs/dbraw/zinc/31/11/58/1372311158.db2.gz LLPIZLNILPBSLA-UHFFFAOYSA-N 2 0 330.435 3.487 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001210782289 1372425502 /nfs/dbraw/zinc/42/55/02/1372425502.db2.gz KIFLUKBSFHNDOV-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001210811131 1372430673 /nfs/dbraw/zinc/43/06/73/1372430673.db2.gz JRNSBOXBGGWQBV-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001211126824 1372487966 /nfs/dbraw/zinc/48/79/66/1372487966.db2.gz WDWPMUNUZFUINV-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261925 1372515377 /nfs/dbraw/zinc/51/53/77/1372515377.db2.gz HARMLERTYDQHLL-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444042 1372559945 /nfs/dbraw/zinc/55/99/45/1372559945.db2.gz LMAWPBZYLLCYIN-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCOc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)cc1 ZINC001212320280 1372686057 /nfs/dbraw/zinc/68/60/57/1372686057.db2.gz ARJQQRORHGCSDG-UHFFFAOYSA-N 2 0 344.459 3.005 20 0 EGADRP Cc1ccc(C(F)(F)F)c(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c1 ZINC001212335828 1372689473 /nfs/dbraw/zinc/68/94/73/1372689473.db2.gz LXYDGXYZIQZZKQ-HNNXBMFYSA-N 2 0 342.365 3.367 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001212336039 1372689701 /nfs/dbraw/zinc/68/97/01/1372689701.db2.gz QREWREXWQARZJK-AWEZNQCLSA-N 2 0 328.338 3.058 20 0 EGADRP Cc1cc(Nc2cccc(OCC[NH+](C)C)c2)n(-c2cc[nH+]cc2)n1 ZINC001212806010 1372777061 /nfs/dbraw/zinc/77/70/61/1372777061.db2.gz HXEDTMCCNNITEE-UHFFFAOYSA-N 2 0 337.427 3.260 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214634596 1373093273 /nfs/dbraw/zinc/09/32/73/1373093273.db2.gz QZSARXQGOABBTP-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855907 1373130423 /nfs/dbraw/zinc/13/04/23/1373130423.db2.gz RGMCVBLWJYLENP-ODWICZQRSA-N 2 0 349.563 3.432 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890267 1373136684 /nfs/dbraw/zinc/13/66/84/1373136684.db2.gz UVRZGWVDJIYTCT-IOIJZZRGSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001128544163 1373286964 /nfs/dbraw/zinc/28/69/64/1373286964.db2.gz IKQHJSIDBHTJMS-UHFFFAOYSA-N 2 0 349.544 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001216510849 1373313400 /nfs/dbraw/zinc/31/34/00/1373313400.db2.gz ARLCZFJQMCQXHP-WSTZPKSXSA-N 2 0 345.531 3.143 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216852219 1373351455 /nfs/dbraw/zinc/35/14/55/1373351455.db2.gz SBVPWILDIBXPKH-YLJYHZDGSA-N 2 0 345.531 3.087 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001129422426 1373382220 /nfs/dbraw/zinc/38/22/20/1373382220.db2.gz IKKOMFVRUIMGOZ-MOPGFXCFSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001130303573 1373488592 /nfs/dbraw/zinc/48/85/92/1373488592.db2.gz DKKASSUWKTVKHL-APWZRJJASA-N 2 0 345.531 3.235 20 0 EGADRP c1ccc2c(c1)CN1CC[C@H](OCc3ccc4c(c3)CC[NH2+]C4)C1=[NH+]2 ZINC001217899280 1373510836 /nfs/dbraw/zinc/51/08/36/1373510836.db2.gz PDDDMZKVNREARE-FQEVSTJZSA-N 2 0 333.435 3.167 20 0 EGADRP c1ccc2c(c1)CN1CC[C@H](OCCCCC3CC[NH2+]CC3)C1=[NH+]2 ZINC001217899633 1373511501 /nfs/dbraw/zinc/51/15/01/1373511501.db2.gz ZIQIAWUAYYQORQ-IBGZPJMESA-N 2 0 327.472 3.491 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CCCC[NH2+]C4)cc32)CC1 ZINC001217971286 1373521869 /nfs/dbraw/zinc/52/18/69/1373521869.db2.gz UKIQFISDEXNJDN-QGZVFWFLSA-N 2 0 327.472 3.498 20 0 EGADRP CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@@H]3C[NH2+]CCOC3)c2C1 ZINC001218040651 1373546197 /nfs/dbraw/zinc/54/61/97/1373546197.db2.gz AZWANHQXTHGZCF-RTBURBONSA-N 2 0 346.515 3.033 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]CC[C@@H]2CCC[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001130658684 1373577117 /nfs/dbraw/zinc/57/71/17/1373577117.db2.gz KDFLRGMFDMBFLA-WBVHZDCISA-N 2 0 342.487 3.179 20 0 EGADRP C[NH+](C)CC[C@@H](Oc1cccc(N2CC[NH2+]CC2)c1)c1ccccc1 ZINC001218303658 1373591778 /nfs/dbraw/zinc/59/17/78/1373591778.db2.gz AIJPACZWLRKUFA-OAQYLSRUSA-N 2 0 339.483 3.168 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccccc1-c1ccc(F)c(F)c1 ZINC001218851127 1373660186 /nfs/dbraw/zinc/66/01/86/1373660186.db2.gz ZHGCMUKTVQHFCB-AWEZNQCLSA-N 2 0 347.409 3.417 20 0 EGADRP [NH3+][C@@H](CC(=O)Nc1cccc2c1C[NH2+]C2)Cc1cccc2ccccc21 ZINC001218994698 1373676218 /nfs/dbraw/zinc/67/62/18/1373676218.db2.gz MVWRXRWRRXIGSP-GOSISDBHSA-N 2 0 345.446 3.342 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1)C1CCCCC1 ZINC001219023599 1373680881 /nfs/dbraw/zinc/68/08/81/1373680881.db2.gz GPDUUAGQVAYJQW-LPHOPBHVSA-N 2 0 347.478 3.480 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001131799762 1373810261 /nfs/dbraw/zinc/81/02/61/1373810261.db2.gz UQPNWLZHHZDKDB-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)c1cccc(F)c1 ZINC001131798915 1373810650 /nfs/dbraw/zinc/81/06/50/1373810650.db2.gz DEMFESCZQGNSPX-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+][C@H]1CCc2ccccc21)C1CCCCC1 ZINC001131815893 1373820012 /nfs/dbraw/zinc/82/00/12/1373820012.db2.gz YLLAWFPKNRBOPR-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385767 1373832064 /nfs/dbraw/zinc/83/20/64/1373832064.db2.gz WKMQTIBOSGEIDE-OAQYLSRUSA-N 2 0 345.531 3.125 20 0 EGADRP CC(C)N(C(=O)c1ccc(C2CC[NH+](C)CC2)cc1)C(C)(C)C[NH3+] ZINC001188330820 1388291805 /nfs/dbraw/zinc/29/18/05/1388291805.db2.gz JVYWRNQKZITINJ-UHFFFAOYSA-N 2 0 331.504 3.084 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223928330 1375048122 /nfs/dbraw/zinc/04/81/22/1375048122.db2.gz AJMVMCKIFUTOCO-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224796184 1375077310 /nfs/dbraw/zinc/07/73/10/1375077310.db2.gz NKTDSCYEODAOIR-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CC[C@@H](OC[C@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152547 1375095889 /nfs/dbraw/zinc/09/58/89/1375095889.db2.gz VJZVEVKCFGDCNV-CTNGQTDRSA-N 2 0 346.515 3.167 20 0 EGADRP CC[N@@H+]1CC[C@@H](OC[C@@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152550 1375096911 /nfs/dbraw/zinc/09/69/11/1375096911.db2.gz VJZVEVKCFGDCNV-TZIWHRDSSA-N 2 0 346.515 3.167 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001225464318 1375113269 /nfs/dbraw/zinc/11/32/69/1375113269.db2.gz NWOQWBDSUUOYIJ-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132106455 1375151264 /nfs/dbraw/zinc/15/12/64/1375151264.db2.gz UOQYTPYXMOOLQW-PKOBYXMFSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1CCCC1 ZINC001132111391 1375153275 /nfs/dbraw/zinc/15/32/75/1375153275.db2.gz QPBSGCSPENIDBR-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CCCCC1 ZINC001132110666 1375153484 /nfs/dbraw/zinc/15/34/84/1375153484.db2.gz KUZPXCGMMYITPI-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141958 1375167418 /nfs/dbraw/zinc/16/74/18/1375167418.db2.gz WBDCLSCUHCCUIF-MSOLQXFVSA-N 2 0 346.519 3.067 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132152514 1375172408 /nfs/dbraw/zinc/17/24/08/1375172408.db2.gz DICBRGQKYLAUBE-SJLPKXTDSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CCCCCF ZINC001132153918 1375173985 /nfs/dbraw/zinc/17/39/85/1375173985.db2.gz VBBGHBVQMWLPLL-RDJZCZTQSA-N 2 0 346.450 3.057 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132248877 1375244992 /nfs/dbraw/zinc/24/49/92/1375244992.db2.gz JWBJEQMDRUDHSO-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1C ZINC001132269195 1375257938 /nfs/dbraw/zinc/25/79/38/1375257938.db2.gz GPZKDCCQCLWEFY-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309769 1375288508 /nfs/dbraw/zinc/28/85/08/1375288508.db2.gz DDJFLPLXRZQBIX-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC)C1 ZINC001132364631 1375328646 /nfs/dbraw/zinc/32/86/46/1375328646.db2.gz CZYBLGZNUMYSSW-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CC2)C1 ZINC001132365635 1375329910 /nfs/dbraw/zinc/32/99/10/1375329910.db2.gz NGXJNFCTBUFVSZ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132367762 1375332375 /nfs/dbraw/zinc/33/23/75/1375332375.db2.gz FUNAURNHIYDCBI-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132376397 1375339374 /nfs/dbraw/zinc/33/93/74/1375339374.db2.gz MPPJSBHCVFPPGQ-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132392699 1375347915 /nfs/dbraw/zinc/34/79/15/1375347915.db2.gz OSFNJNWSUJXSDG-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132411359 1375359650 /nfs/dbraw/zinc/35/96/50/1375359650.db2.gz YKIFHAYLUQYGMF-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001226941432 1375362458 /nfs/dbraw/zinc/36/24/58/1375362458.db2.gz AQRJATUTBXBZLP-KURKYZTESA-N 2 0 339.568 3.416 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132435019 1375379890 /nfs/dbraw/zinc/37/98/90/1375379890.db2.gz AHKNKECNPQXTHH-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132441416 1375385050 /nfs/dbraw/zinc/38/50/50/1375385050.db2.gz OOCDYGKIEFPLQH-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132441270 1375385187 /nfs/dbraw/zinc/38/51/87/1375385187.db2.gz MSMOSLKWXBPJJW-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132442037 1375386464 /nfs/dbraw/zinc/38/64/64/1375386464.db2.gz VWPHVFJFRZVWDA-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227149990 1375397495 /nfs/dbraw/zinc/39/74/95/1375397495.db2.gz JBXNUIYUKIGPJF-ZWHYWQQASA-N 2 0 337.552 3.480 20 0 EGADRP C[NH+](C)Cc1cc(C[NH+](C)C)c(OC2CCCC2)c(C[NH+](C)C)c1 ZINC001227160077 1375399778 /nfs/dbraw/zinc/39/97/78/1375399778.db2.gz CEEIWNFRMMQGKI-UHFFFAOYSA-N 3 0 333.520 3.193 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227798222 1375477418 /nfs/dbraw/zinc/47/74/18/1375477418.db2.gz UHSDZYQKFBAEGA-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227867217 1375484425 /nfs/dbraw/zinc/48/44/25/1375484425.db2.gz CCYVIYLXGJQARK-XLIONFOSSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC=C(C)C)C1 ZINC001228137760 1375520216 /nfs/dbraw/zinc/52/02/16/1375520216.db2.gz LFLGXYIPLSHITF-IPMKNSEASA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415590 1375568949 /nfs/dbraw/zinc/56/89/49/1375568949.db2.gz PKZXSUZWWFKZCE-FBQMEGEOSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C)[NH+](CC)CC ZINC001228559817 1375597478 /nfs/dbraw/zinc/59/74/78/1375597478.db2.gz YVLQVGOHHAELCY-KURKYZTESA-N 2 0 325.541 3.170 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228619054 1375618560 /nfs/dbraw/zinc/61/85/60/1375618560.db2.gz RXDQGMUQYNLHHE-PWBPZBFBSA-N 2 0 349.563 3.482 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)CC(C)(C)C ZINC001228646179 1375626285 /nfs/dbraw/zinc/62/62/85/1375626285.db2.gz ANENUDKNRHRLTC-IAGOWNOFSA-N 2 0 343.531 3.121 20 0 EGADRP CC[N@@H+]1CC[C@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C1 ZINC001228823873 1375688051 /nfs/dbraw/zinc/68/80/51/1375688051.db2.gz SABWWGJZQOHVSG-KRWDZBQOSA-N 2 0 327.472 3.450 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)C1 ZINC001228904495 1375710281 /nfs/dbraw/zinc/71/02/81/1375710281.db2.gz JJIHZJVEFCAJHO-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012275 1375710317 /nfs/dbraw/zinc/71/03/17/1375710317.db2.gz QMNKJHCTRFZSTO-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001133043374 1375735434 /nfs/dbraw/zinc/73/54/34/1375735434.db2.gz VWMUUUZFGBUYLQ-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001133051499 1375743080 /nfs/dbraw/zinc/74/30/80/1375743080.db2.gz HISIQAJYEZZTOE-INIZCTEOSA-N 2 0 333.520 3.093 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133178828 1375825601 /nfs/dbraw/zinc/82/56/01/1375825601.db2.gz XWZULXZPGPOJSU-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229615800 1375865597 /nfs/dbraw/zinc/86/55/97/1375865597.db2.gz SSDOPTSDIHVERP-NSISKUIASA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)C(C)C ZINC001229656111 1375872765 /nfs/dbraw/zinc/87/27/65/1375872765.db2.gz YFRNFWXPNPXQJT-FQEVSTJZSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001229852757 1375903791 /nfs/dbraw/zinc/90/37/91/1375903791.db2.gz KTTFIOMZFVEWIS-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001229859928 1375906090 /nfs/dbraw/zinc/90/60/90/1375906090.db2.gz HZOMZZOLVWKHSV-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133342046 1375932668 /nfs/dbraw/zinc/93/26/68/1375932668.db2.gz NGWDCUIJGRNBTQ-IEBWSBKVSA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133345457 1375934124 /nfs/dbraw/zinc/93/41/24/1375934124.db2.gz CJZIODNXPMIOFS-UYAOXDASSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001230107648 1375944428 /nfs/dbraw/zinc/94/44/28/1375944428.db2.gz QNHIJBUETMZRGC-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001230284730 1375983717 /nfs/dbraw/zinc/98/37/17/1375983717.db2.gz SDKNCEWTQDPTBJ-GUDVDZBRSA-N 2 0 337.552 3.458 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230285097 1375983874 /nfs/dbraw/zinc/98/38/74/1375983874.db2.gz MCNDURWULWHLKW-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230341305 1376003765 /nfs/dbraw/zinc/00/37/65/1376003765.db2.gz ALGFKHDEFOKDAA-KZNAEPCWSA-N 2 0 341.515 3.018 20 0 EGADRP Cc1cc(C[NH+]2CCC(NC(=O)CC[NH+]3CCCCC3)CC2)cs1 ZINC001230354951 1376007422 /nfs/dbraw/zinc/00/74/22/1376007422.db2.gz NGBUNTFUOFFYFA-UHFFFAOYSA-N 2 0 349.544 3.013 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001230359414 1376008713 /nfs/dbraw/zinc/00/87/13/1376008713.db2.gz AJQFJSVYOODCPN-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001230378164 1376011442 /nfs/dbraw/zinc/01/14/42/1376011442.db2.gz JMXFCTTVSRRDML-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230518947 1376051363 /nfs/dbraw/zinc/05/13/63/1376051363.db2.gz WHEYXBNLBQMPHO-DZGCQCFKSA-N 2 0 337.427 3.145 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591953 1376089609 /nfs/dbraw/zinc/08/96/09/1376089609.db2.gz NRIQNZBNBZDNAT-HCZHMGAMSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592189 1376089752 /nfs/dbraw/zinc/08/97/52/1376089752.db2.gz UNUMUNPLKQELNW-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001230598439 1376094592 /nfs/dbraw/zinc/09/45/92/1376094592.db2.gz OOHOJNISDDNKMC-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CCC(C)C)CC1 ZINC001230617503 1376104304 /nfs/dbraw/zinc/10/43/04/1376104304.db2.gz BJULVFSTDNOPOT-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628468 1376106494 /nfs/dbraw/zinc/10/64/94/1376106494.db2.gz ICHWQZDVZXRWEO-IEBWSBKVSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230628047 1376106917 /nfs/dbraw/zinc/10/69/17/1376106917.db2.gz GJDWEKMMPSZGAY-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC)c1ccc(F)cc1 ZINC001133689928 1376157624 /nfs/dbraw/zinc/15/76/24/1376157624.db2.gz FILCGDVJQOMOBV-ROUUACIJSA-N 2 0 337.483 3.103 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1ccccc1C(C)C)[NH+](CC)CC ZINC001133690402 1376157836 /nfs/dbraw/zinc/15/78/36/1376157836.db2.gz KSOQEDOYLUGYLV-LJQANCHMSA-N 2 0 333.520 3.136 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001133823599 1376219438 /nfs/dbraw/zinc/21/94/38/1376219438.db2.gz KIMZPQBBRXPPCM-IRXDYDNUSA-N 2 0 345.531 3.235 20 0 EGADRP c1c2c[nH+]ccc2[nH]c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001232014106 1376382582 /nfs/dbraw/zinc/38/25/82/1376382582.db2.gz KFIGMFINCPCGAD-UTKZUKDTSA-N 2 0 332.451 3.269 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019180 1376385915 /nfs/dbraw/zinc/38/59/15/1376385915.db2.gz XMNMFTBYLIZHJE-CJNGLKHVSA-N 2 0 344.459 3.441 20 0 EGADRP C[N@@H+](Cc1ccc(OCc2ccccc2)nc1)CC1CC[NH+](C)CC1 ZINC001232358025 1376448635 /nfs/dbraw/zinc/44/86/35/1376448635.db2.gz XHQDJAPAEDNRCG-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369532 1376498045 /nfs/dbraw/zinc/49/80/45/1376498045.db2.gz NRJLXXVDXPVVFF-ROUUACIJSA-N 2 0 345.531 3.324 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608636 1376623329 /nfs/dbraw/zinc/62/33/29/1376623329.db2.gz YEHCMWRZHXEJPP-HOTGVXAUSA-N 2 0 349.494 3.013 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CCCC1 ZINC001134728631 1376681457 /nfs/dbraw/zinc/68/14/57/1376681457.db2.gz AUWPOVPZAPCHSW-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001134765928 1376709197 /nfs/dbraw/zinc/70/91/97/1376709197.db2.gz AOHJALPSGAIYDU-HKUYNNGSSA-N 2 0 331.504 3.025 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001134774529 1376713248 /nfs/dbraw/zinc/71/32/48/1376713248.db2.gz ZAFYDDZULGEKLB-YSZIPOCTSA-N 2 0 345.531 3.303 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784292 1376718443 /nfs/dbraw/zinc/71/84/43/1376718443.db2.gz SCGUBJCNDCAICB-ZWKOTPCHSA-N 2 0 348.535 3.217 20 0 EGADRP c1cc(-c2cccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2)cs1 ZINC001235035231 1376832879 /nfs/dbraw/zinc/83/28/79/1376832879.db2.gz DPQRUODBMAVWIZ-IEBWSBKVSA-N 2 0 328.481 3.225 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994668 1376833045 /nfs/dbraw/zinc/83/30/45/1376833045.db2.gz VEQATPNLHDCMMJ-HZPDHXFCSA-N 2 0 336.439 3.021 20 0 EGADRP Cc1ccccc1-c1ccccc1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035781 1376834284 /nfs/dbraw/zinc/83/42/84/1376834284.db2.gz IIJIFUHZIFBTCT-DENIHFKCSA-N 2 0 336.479 3.472 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999824 1376835535 /nfs/dbraw/zinc/83/55/35/1376835535.db2.gz UZMQTBPIKJIJBX-HOTGVXAUSA-N 2 0 330.476 3.401 20 0 EGADRP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036870 1376835996 /nfs/dbraw/zinc/83/59/96/1376835996.db2.gz OKCSAHNULKVKLT-FOIQADDNSA-N 2 0 336.435 3.396 20 0 EGADRP FC(F)(F)Sc1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235039386 1376838921 /nfs/dbraw/zinc/83/89/21/1376838921.db2.gz ZMQWIWFYJNFASW-UKRRQHHQSA-N 2 0 346.418 3.109 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235338202 1376868603 /nfs/dbraw/zinc/86/86/03/1376868603.db2.gz VQRLBDQTRMLJHN-OALUTQOASA-N 2 0 349.563 3.076 20 0 EGADRP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430153 1376872207 /nfs/dbraw/zinc/87/22/07/1376872207.db2.gz FZXQVTNSNBQDJW-IRXDYDNUSA-N 2 0 332.488 3.306 20 0 EGADRP c1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)nc(N2CCCCC2)c1 ZINC001235703156 1376884484 /nfs/dbraw/zinc/88/44/84/1376884484.db2.gz SZIIKYVZUBCWRR-UHFFFAOYSA-N 2 0 342.531 3.284 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082231 1376885687 /nfs/dbraw/zinc/88/56/87/1376885687.db2.gz ZKOJQFVHVIHKQN-IAGOWNOFSA-N 2 0 325.541 3.314 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102317 1376899765 /nfs/dbraw/zinc/89/97/65/1376899765.db2.gz YNMCILVDNMIUGA-QZTJIDSGSA-N 2 0 347.547 3.467 20 0 EGADRP COC(=O)c1cccc(C2CC[NH+](Cc3cccc(C[NH3+])c3)CC2)c1 ZINC001236074293 1376930619 /nfs/dbraw/zinc/93/06/19/1376930619.db2.gz WZENAOONJYTWGF-UHFFFAOYSA-N 2 0 338.451 3.312 20 0 EGADRP Cc1cc(Br)ccc1N1CC[NH+](CCCCC[NH3+])CC1 ZINC001236254257 1376946381 /nfs/dbraw/zinc/94/63/81/1376946381.db2.gz XWSRCUYGBHPHGP-UHFFFAOYSA-N 2 0 340.309 3.009 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298108 1377026327 /nfs/dbraw/zinc/02/63/27/1377026327.db2.gz KMILGVWIJXJKQA-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001135299334 1377026928 /nfs/dbraw/zinc/02/69/28/1377026928.db2.gz WEMRHPLJPCOEJK-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1cc2ccccc2o1)NC(=O)CCC[NH+](C)C ZINC001135314414 1377033143 /nfs/dbraw/zinc/03/31/43/1377033143.db2.gz AJYJTNIBMRAVFT-JKSUJKDBSA-N 2 0 345.487 3.148 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCC[NH+](C)C ZINC001135314795 1377033617 /nfs/dbraw/zinc/03/36/17/1377033617.db2.gz HJJVSYNVAKICTK-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001135314949 1377033744 /nfs/dbraw/zinc/03/37/44/1377033744.db2.gz JBQWTQUFFLPFKA-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC[NH2+]1 ZINC001246382219 1377051721 /nfs/dbraw/zinc/05/17/21/1377051721.db2.gz BEJKETUHULRCLH-ROUUACIJSA-N 2 0 329.488 3.214 20 0 EGADRP [NH3+]C[C@H]1CCCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246546258 1377052102 /nfs/dbraw/zinc/05/21/02/1377052102.db2.gz ZVDFOAVXOQOWNJ-MHTWAQMVSA-N 2 0 327.516 3.385 20 0 EGADRP COC(=O)c1ccc(C2CC[NH+]([C@H]3CC[NH2+]C(C)(C)C3)CC2)cc1 ZINC001246822662 1377055215 /nfs/dbraw/zinc/05/52/15/1377055215.db2.gz MIIVTUNWZDLRGS-SFHVURJKSA-N 2 0 330.472 3.183 20 0 EGADRP [NH3+]CCN(Cc1ccc(Cl)cc1Cl)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001246820075 1377055362 /nfs/dbraw/zinc/05/53/62/1377055362.db2.gz HOPYPZHDZWGGQE-MRXNPFEDSA-N 2 0 342.314 3.238 20 0 EGADRP COC(=O)CC1CCC([N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246938350 1377056164 /nfs/dbraw/zinc/05/61/64/1377056164.db2.gz PDLDHYBSSWWPET-HFCFLWKCSA-N 2 0 336.520 3.353 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001135377714 1377063340 /nfs/dbraw/zinc/06/33/40/1377063340.db2.gz CYLZCRDLNDJQHL-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001135379028 1377063957 /nfs/dbraw/zinc/06/39/57/1377063957.db2.gz OIRHTWSHCYVQPA-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390214 1377069333 /nfs/dbraw/zinc/06/93/33/1377069333.db2.gz ILBVZYIWLWSBBH-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP O[C@@]1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CCN(Cc2ccccc2)C1 ZINC001252933588 1377093460 /nfs/dbraw/zinc/09/34/60/1377093460.db2.gz LKXUTWFZXARPPK-HKBOAZHASA-N 2 0 328.500 3.278 20 0 EGADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(c2ccccc2)CCC(F)(F)CC1 ZINC001253410387 1377097895 /nfs/dbraw/zinc/09/78/95/1377097895.db2.gz IPQYBLXNCXGOGT-MRXNPFEDSA-N 2 0 340.458 3.430 20 0 EGADRP COC(=O)c1ccc(C2CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254526780 1377106978 /nfs/dbraw/zinc/10/69/78/1377106978.db2.gz UOIVLCSBTXRAHI-LJQANCHMSA-N 2 0 330.472 3.137 20 0 EGADRP CC(C)(C)OC(=O)N1CCC2(CCC([NH2+]C3CC([NH3+])C3)CC2)CC1 ZINC001254790514 1377108906 /nfs/dbraw/zinc/10/89/06/1377108906.db2.gz DHGVFNOZAOPSHZ-UHFFFAOYSA-N 2 0 337.508 3.026 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475464 1377110158 /nfs/dbraw/zinc/11/01/58/1377110158.db2.gz AVFXLUUOYTYYBK-DLBZAZTESA-N 2 0 333.520 3.037 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CCCCc1ccccc1)C(C)C ZINC001135478227 1377111458 /nfs/dbraw/zinc/11/14/58/1377111458.db2.gz XGSOVKRNZHGISE-FQEVSTJZSA-N 2 0 347.547 3.082 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135480332 1377112096 /nfs/dbraw/zinc/11/20/96/1377112096.db2.gz ASZOQDGABKNEPR-IRXDYDNUSA-N 2 0 327.557 3.418 20 0 EGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCC(C)(C)[NH3+])c1 ZINC001262043274 1377128005 /nfs/dbraw/zinc/12/80/05/1377128005.db2.gz MSWRUKFXBXVTJH-UHFFFAOYSA-N 2 0 339.483 3.176 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/Cl ZINC001135691518 1377185004 /nfs/dbraw/zinc/18/50/04/1377185004.db2.gz VTQFEMHGFCZJRX-DMGQIGSTSA-N 2 0 331.932 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135705642 1377190163 /nfs/dbraw/zinc/19/01/63/1377190163.db2.gz GWSMDPLZNVNHNF-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135705639 1377190245 /nfs/dbraw/zinc/19/02/45/1377190245.db2.gz GWSMDPLZNVNHNF-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001135718936 1377193230 /nfs/dbraw/zinc/19/32/30/1377193230.db2.gz VXPRBLFEYSIYKK-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135743227 1377199046 /nfs/dbraw/zinc/19/90/46/1377199046.db2.gz HELGDBKBHACOFM-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135742891 1377199251 /nfs/dbraw/zinc/19/92/51/1377199251.db2.gz AQIVSECFXHHQFU-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135746603 1377200589 /nfs/dbraw/zinc/20/05/89/1377200589.db2.gz IJCMHPJVNKVWDS-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001266185519 1377220310 /nfs/dbraw/zinc/22/03/10/1377220310.db2.gz LGKHSMYDIWRAAY-HXUWFJFHSA-N 2 0 345.531 3.066 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001266195649 1377222641 /nfs/dbraw/zinc/22/26/41/1377222641.db2.gz XSHDUGVREJXDMN-DNVCBOLYSA-N 2 0 349.494 3.150 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827066 1377223618 /nfs/dbraw/zinc/22/36/18/1377223618.db2.gz PNIMBXOZMFKMGF-SJORKVTESA-N 2 0 339.568 3.416 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135861053 1377238339 /nfs/dbraw/zinc/23/83/39/1377238339.db2.gz LTEGFGJGSXAVQS-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135861657 1377238575 /nfs/dbraw/zinc/23/85/75/1377238575.db2.gz VCPXUNMGQLVXKB-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944971 1377273632 /nfs/dbraw/zinc/27/36/32/1377273632.db2.gz SXKSWTGDRGDSKD-HOTGVXAUSA-N 2 0 346.519 3.214 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135945327 1377273694 /nfs/dbraw/zinc/27/36/94/1377273694.db2.gz YTCDPRWSPNNWLS-HOTGVXAUSA-N 2 0 334.508 3.214 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944871 1377273731 /nfs/dbraw/zinc/27/37/31/1377273731.db2.gz RQCKMMNZFOQYGX-GJZGRUSLSA-N 2 0 334.508 3.070 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944872 1377273739 /nfs/dbraw/zinc/27/37/39/1377273739.db2.gz RQCKMMNZFOQYGX-HUUCEWRRSA-N 2 0 334.508 3.070 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001135974609 1377283819 /nfs/dbraw/zinc/28/38/19/1377283819.db2.gz RWOPSVBCRSQZIH-IWZNPOATSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135979555 1377284987 /nfs/dbraw/zinc/28/49/87/1377284987.db2.gz HIFWQZLCZSEKJD-RBUKOAKNSA-N 2 0 347.547 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135980496 1377285721 /nfs/dbraw/zinc/28/57/21/1377285721.db2.gz PCAVEQJFNWGPFG-SJORKVTESA-N 2 0 339.568 3.418 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135980477 1377286357 /nfs/dbraw/zinc/28/63/57/1377286357.db2.gz OSUXOVBGURDKHG-CLARTRLESA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001135995162 1377291815 /nfs/dbraw/zinc/29/18/15/1377291815.db2.gz AEPRCFIMTMIZGW-DLBZAZTESA-N 2 0 327.557 3.418 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001135995160 1377291676 /nfs/dbraw/zinc/29/16/76/1377291676.db2.gz AEIKYSGTXXHJRY-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001267116495 1377413832 /nfs/dbraw/zinc/41/38/32/1377413832.db2.gz BQWRXCPJZFLFIP-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H](C[NH2+]CC2CCCC2)C2CC2)c1 ZINC001269148500 1377540549 /nfs/dbraw/zinc/54/05/49/1377540549.db2.gz DLPXEBQPRFSXMV-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4c[nH]c5ncccc45)C[C@H]3C2)cc1 ZINC001137399000 1377541049 /nfs/dbraw/zinc/54/10/49/1377541049.db2.gz HCVYNXQKNCKCAP-WOJBJXKFSA-N 2 0 346.478 3.435 20 0 EGADRP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CC1CCCCC1 ZINC001269485899 1377556973 /nfs/dbraw/zinc/55/69/73/1377556973.db2.gz DNLYZJAASBUSBS-IBGZPJMESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001271578007 1377640313 /nfs/dbraw/zinc/64/03/13/1377640313.db2.gz ZLHDLBXHTYTNCL-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001271758830 1377649173 /nfs/dbraw/zinc/64/91/73/1377649173.db2.gz HSVIVJKADNNNMN-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CC[NH+](CC)C1CCN(Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC001138547018 1377740089 /nfs/dbraw/zinc/74/00/89/1377740089.db2.gz BEUBDWMADWGNNZ-UHFFFAOYSA-N 2 0 326.488 3.487 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138682859 1377767058 /nfs/dbraw/zinc/76/70/58/1377767058.db2.gz CUNDVWLROXWDDP-UHFFFAOYSA-N 2 0 343.490 3.418 20 0 EGADRP CCCCc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)s1 ZINC001138757580 1377780808 /nfs/dbraw/zinc/78/08/08/1377780808.db2.gz ZDAOANJPSHKIIZ-UHFFFAOYSA-N 2 0 335.561 3.303 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCC1(F)F ZINC001138770238 1377782438 /nfs/dbraw/zinc/78/24/38/1377782438.db2.gz UUATTZVSGPWZHR-HNNXBMFYSA-N 2 0 326.431 3.494 20 0 EGADRP CC(C)COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001138971507 1377811632 /nfs/dbraw/zinc/81/16/32/1377811632.db2.gz OTWXWANJKXPDIP-UHFFFAOYSA-N 2 0 349.563 3.427 20 0 EGADRP CCCn1cc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001139039951 1377821419 /nfs/dbraw/zinc/82/14/19/1377821419.db2.gz IWXMZPJVCUBACO-UHFFFAOYSA-N 2 0 338.499 3.391 20 0 EGADRP CCCn1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041579 1377821474 /nfs/dbraw/zinc/82/14/74/1377821474.db2.gz LKLNNWWDUSNEDD-SFTDATJTSA-N 2 0 338.499 3.247 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3cccnc3c2)CC1 ZINC001139168836 1377842867 /nfs/dbraw/zinc/84/28/67/1377842867.db2.gz ZLHUQIJZCMBOPL-FQEVSTJZSA-N 2 0 339.483 3.310 20 0 EGADRP c1ccc2cc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001139996538 1377989216 /nfs/dbraw/zinc/98/92/16/1377989216.db2.gz JLJZZWSMRYAIEN-OYRHEFFESA-N 2 0 344.462 3.194 20 0 EGADRP CCCCN1CC2(CCC1=O)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272716745 1378079748 /nfs/dbraw/zinc/07/97/48/1378079748.db2.gz KNNRKLLFJGXLJB-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP FC(F)(F)CCCN1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275166329 1378137404 /nfs/dbraw/zinc/13/74/04/1378137404.db2.gz SEXKGYCLIHMEHY-MRXNPFEDSA-N 2 0 334.426 3.438 20 0 EGADRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC001276161764 1378168629 /nfs/dbraw/zinc/16/86/29/1378168629.db2.gz RBTMOWGFWJTQHZ-UHFFFAOYSA-N 2 0 341.952 3.251 20 0 EGADRP CCCCc1ccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1 ZINC001276336195 1378172445 /nfs/dbraw/zinc/17/24/45/1378172445.db2.gz FXKPLKJMNZZWOO-LEWJYISDSA-N 2 0 329.532 3.097 20 0 EGADRP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001276717609 1378184781 /nfs/dbraw/zinc/18/47/81/1378184781.db2.gz AFMUSRKHJUPJOE-KRWDZBQOSA-N 2 0 349.544 3.166 20 0 EGADRP Cc1nccnc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140939473 1378186093 /nfs/dbraw/zinc/18/60/93/1378186093.db2.gz MWAYPKSZBFBIQU-WOJBJXKFSA-N 2 0 336.483 3.129 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc3cccc(O)c3n2)CC1 ZINC001141023790 1378210903 /nfs/dbraw/zinc/21/09/03/1378210903.db2.gz XJASWLNGQJXSFC-UHFFFAOYSA-N 2 0 327.472 3.493 20 0 EGADRP COc1ccc2nccc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)c2c1 ZINC001141151665 1378250980 /nfs/dbraw/zinc/25/09/80/1378250980.db2.gz USFZQEABEZWMFT-UHFFFAOYSA-N 2 0 325.456 3.161 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@@]12CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2)C(C)C ZINC001278148777 1378259489 /nfs/dbraw/zinc/25/94/89/1378259489.db2.gz PWWAHSPMYDRDIQ-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP FC(F)(F)CCC[NH+]1CC2(C1)CCN(CC[NH+]1CCCCC1)CC2 ZINC001278147519 1378259520 /nfs/dbraw/zinc/25/95/20/1378259520.db2.gz XTXFSAKXPQMJRQ-UHFFFAOYSA-N 2 0 347.469 3.213 20 0 EGADRP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CCCCF)CC2 ZINC001278205502 1378262636 /nfs/dbraw/zinc/26/26/36/1378262636.db2.gz OTZOGKIXPZQERX-UHFFFAOYSA-N 2 0 325.497 3.489 20 0 EGADRP C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cccc(-n2ccnc2)c1 ZINC001141239223 1378279973 /nfs/dbraw/zinc/27/99/73/1378279973.db2.gz JVQJDRCPUOSZGE-UHFFFAOYSA-N 2 0 344.459 3.219 20 0 EGADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCCC[C@H]2C)c1C ZINC001141563667 1378345281 /nfs/dbraw/zinc/34/52/81/1378345281.db2.gz OOVZYAJITORZAD-OAHLLOKOSA-N 2 0 348.535 3.078 20 0 EGADRP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855429 1440508440 /nfs/dbraw/zinc/50/84/40/1440508440.db2.gz XTQNUDMDLYGVLQ-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397593 1378834158 /nfs/dbraw/zinc/83/41/58/1378834158.db2.gz FXEPWPUTJPZJST-RTBURBONSA-N 2 0 345.531 3.326 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398428 1378834198 /nfs/dbraw/zinc/83/41/98/1378834198.db2.gz NZRFQYOXWVCODH-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001146397388 1378834348 /nfs/dbraw/zinc/83/43/48/1378834348.db2.gz DWEPZLJCJSJFLG-SJORKVTESA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001146399718 1378835259 /nfs/dbraw/zinc/83/52/59/1378835259.db2.gz XTTDJJMDBAAPHI-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408454 1378835862 /nfs/dbraw/zinc/83/58/62/1378835862.db2.gz JOAJVNZGGWJWFF-QZTJIDSGSA-N 2 0 345.531 3.279 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583109 1378871406 /nfs/dbraw/zinc/87/14/06/1378871406.db2.gz JISWMIWGSQSNAV-IRXDYDNUSA-N 2 0 333.520 3.281 20 0 EGADRP Cc1cccc(CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001146594257 1378874800 /nfs/dbraw/zinc/87/48/00/1378874800.db2.gz SDFPLXSTXRIDIK-RTBURBONSA-N 2 0 347.547 3.141 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001146601111 1378875953 /nfs/dbraw/zinc/87/59/53/1378875953.db2.gz KBHQGQLVQYLDJM-IAGOWNOFSA-N 2 0 345.531 3.277 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146608741 1378877187 /nfs/dbraw/zinc/87/71/87/1378877187.db2.gz AZHVFMJRUWYKTR-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001146614325 1378877768 /nfs/dbraw/zinc/87/77/68/1378877768.db2.gz XXXNIIWNNDWBST-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001283510145 1378994231 /nfs/dbraw/zinc/99/42/31/1378994231.db2.gz OEDJCMPWFLXIQW-QFBILLFUSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001147359138 1379008229 /nfs/dbraw/zinc/00/82/29/1379008229.db2.gz LYBNJSDNJNBZGK-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001147359964 1379009149 /nfs/dbraw/zinc/00/91/49/1379009149.db2.gz XZWXARYMUAMTAX-ICSRJNTNSA-N 2 0 345.531 3.416 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC001147410178 1379016392 /nfs/dbraw/zinc/01/63/92/1379016392.db2.gz NKERKEQYVGGCMD-OAQYLSRUSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147658382 1379056827 /nfs/dbraw/zinc/05/68/27/1379056827.db2.gz RTHGNLXCVZRLSW-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147716301 1379064786 /nfs/dbraw/zinc/06/47/86/1379064786.db2.gz DNEPUKYGQULGRF-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147986616 1379103258 /nfs/dbraw/zinc/10/32/58/1379103258.db2.gz SUNQHEVBLOBIFH-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CC[N@H+](CC(C)C)C2 ZINC001148611767 1379225871 /nfs/dbraw/zinc/22/58/71/1379225871.db2.gz MQISQRIPDYVDEY-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC001148638945 1379232562 /nfs/dbraw/zinc/23/25/62/1379232562.db2.gz UTANMIGXWGNLPP-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001284028778 1379377649 /nfs/dbraw/zinc/37/76/49/1379377649.db2.gz BIBBXZBGVPWFRV-YJBOKZPZSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392807 1379925686 /nfs/dbraw/zinc/92/56/86/1379925686.db2.gz UVVXBEJYCBUYEZ-XEFROOKYSA-N 2 0 343.515 3.011 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001152464443 1379938904 /nfs/dbraw/zinc/93/89/04/1379938904.db2.gz MIZKYLJQXGKEHJ-AZUAARDMSA-N 2 0 345.531 3.191 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CCCC2CCC2)o1 ZINC001153266329 1380046580 /nfs/dbraw/zinc/04/65/80/1380046580.db2.gz CEHQSOWXHPVWIC-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001284643501 1380050982 /nfs/dbraw/zinc/05/09/82/1380050982.db2.gz UGDGNLQCVVGFOM-RBUKOAKNSA-N 2 0 347.547 3.210 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001153301357 1380051586 /nfs/dbraw/zinc/05/15/86/1380051586.db2.gz OVBVMQHCEWZCOA-SFHVURJKSA-N 2 0 331.504 3.028 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312251 1380053977 /nfs/dbraw/zinc/05/39/77/1380053977.db2.gz BVLHJJDVPFXDEA-UYAOXDASSA-N 2 0 345.531 3.194 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCC2CCC2)CC[N@@H+]1C ZINC001153507606 1380086518 /nfs/dbraw/zinc/08/65/18/1380086518.db2.gz XIMDNZFAANYZJQ-NZSAHSFTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCC1 ZINC001153677456 1380113901 /nfs/dbraw/zinc/11/39/01/1380113901.db2.gz FEHCKHPPDRFJRA-SJLPKXTDSA-N 2 0 343.531 3.073 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153802307 1380132457 /nfs/dbraw/zinc/13/24/57/1380132457.db2.gz IUBBTHLBWBQHGU-JCMVTEASSA-N 2 0 337.552 3.147 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001153828905 1380138964 /nfs/dbraw/zinc/13/89/64/1380138964.db2.gz QZWQYQSLAAGCPL-QGZVFWFLSA-N 2 0 345.531 3.060 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990373 1380171166 /nfs/dbraw/zinc/17/11/66/1380171166.db2.gz BVNFPSVTHYSUPP-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001154001252 1380174969 /nfs/dbraw/zinc/17/49/69/1380174969.db2.gz QJAWVVIXOIZXNF-OXQOHEQNSA-N 2 0 345.531 3.231 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1C ZINC001154070244 1380198299 /nfs/dbraw/zinc/19/82/99/1380198299.db2.gz VGYXFHDHZJAWOO-GOSISDBHSA-N 2 0 347.547 3.360 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC(C)CC1 ZINC001154069368 1380198396 /nfs/dbraw/zinc/19/83/96/1380198396.db2.gz AZWYUIHAJZQJLY-LXPRWKDFSA-N 2 0 339.568 3.370 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154122755 1380213204 /nfs/dbraw/zinc/21/32/04/1380213204.db2.gz JKECQANNHWIJEI-TYFAACHXSA-N 2 0 337.552 3.290 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167627 1380219943 /nfs/dbraw/zinc/21/99/43/1380219943.db2.gz MOXUDTPJSAJQBO-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167958 1380220033 /nfs/dbraw/zinc/22/00/33/1380220033.db2.gz WUIXXJGWUUDLHV-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178709 1380222222 /nfs/dbraw/zinc/22/22/22/1380222222.db2.gz MMEAUEMKQMANTB-FYCOFBDGSA-N 2 0 328.460 3.131 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348185 1380261314 /nfs/dbraw/zinc/26/13/14/1380261314.db2.gz UDANARFFNSWALZ-IAGOWNOFSA-N 2 0 344.503 3.457 20 0 EGADRP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001154785030 1380350709 /nfs/dbraw/zinc/35/07/09/1380350709.db2.gz WRWJRYRRIJCYRM-FAPWYTRCSA-N 2 0 337.552 3.291 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844627 1380363451 /nfs/dbraw/zinc/36/34/51/1380363451.db2.gz QSJAXRCLKZIFGK-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909679 1380374994 /nfs/dbraw/zinc/37/49/94/1380374994.db2.gz SQXFEQZMVNGFAP-GOSISDBHSA-N 2 0 347.547 3.478 20 0 EGADRP CC[N@H+](Cc1ccc(C2CCC2)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005407 1380389166 /nfs/dbraw/zinc/38/91/66/1380389166.db2.gz LYRDRPVVRYSDQQ-QGZVFWFLSA-N 2 0 345.531 3.232 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180708 1380420303 /nfs/dbraw/zinc/42/03/03/1380420303.db2.gz MPGSROAGKPVCCM-CONOYDDESA-N 2 0 325.541 3.290 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249511 1380429064 /nfs/dbraw/zinc/42/90/64/1380429064.db2.gz NBPPXGKBYWWFOQ-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283100 1380433275 /nfs/dbraw/zinc/43/32/75/1380433275.db2.gz HNDQEGQQHQFTBD-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP COc1ccc2c(cc[nH+]c2NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155377702 1380443306 /nfs/dbraw/zinc/44/33/06/1380443306.db2.gz IHRZZCBQMCVANI-QGZVFWFLSA-N 2 0 341.455 3.204 20 0 EGADRP c1ccc(C[N@@H+]2CCc3nc(N[C@@]45CCC[C@@H]4[NH2+]CC5)ccc3C2)cc1 ZINC001155402840 1380446771 /nfs/dbraw/zinc/44/67/71/1380446771.db2.gz VWNITRAKGFSBIA-RBBKRZOGSA-N 2 0 348.494 3.336 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994521 1380511638 /nfs/dbraw/zinc/51/16/38/1380511638.db2.gz XYGTYQGMZOHKGC-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374131 1380566986 /nfs/dbraw/zinc/56/69/86/1380566986.db2.gz JXHVFZNOLJOURN-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH+]1CCC(CNc2cccc(OCC[NH+]3CCCC3)n2)CC1 ZINC001156501365 1380584614 /nfs/dbraw/zinc/58/46/14/1380584614.db2.gz MWQKYENAFPWGLU-UHFFFAOYSA-N 2 0 346.519 3.089 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCc1ccccc1C ZINC001156531157 1380589337 /nfs/dbraw/zinc/58/93/37/1380589337.db2.gz ZBUZGAHZBATWMP-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CC1(C)C[N@H+](CC2CCCC2)CC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001328099417 1388671452 /nfs/dbraw/zinc/67/14/52/1388671452.db2.gz VMYRVVHKPNCYGE-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961419 1380738424 /nfs/dbraw/zinc/73/84/24/1380738424.db2.gz QSDDOOUEMISULB-OVKVCFKUSA-N 2 0 337.552 3.435 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092232 1380774410 /nfs/dbraw/zinc/77/44/10/1380774410.db2.gz NXEKADVIAWSYMU-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157118341 1380779524 /nfs/dbraw/zinc/77/95/24/1380779524.db2.gz CREZPRXYKVMWQC-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001157886980 1381061177 /nfs/dbraw/zinc/06/11/77/1381061177.db2.gz NUNXIQXAYKJRRP-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001157893395 1381062525 /nfs/dbraw/zinc/06/25/25/1381062525.db2.gz FFDFAHRDBWFKQJ-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001157899065 1381065005 /nfs/dbraw/zinc/06/50/05/1381065005.db2.gz IVUVQZVTDQTDMM-IEBWSBKVSA-N 2 0 331.504 3.025 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC(C)(C)C)CC[N@@H+]1C ZINC001157978155 1381091493 /nfs/dbraw/zinc/09/14/93/1381091493.db2.gz NWFVLPCMZWIEKA-KZNAEPCWSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001158079680 1381122525 /nfs/dbraw/zinc/12/25/25/1381122525.db2.gz LSHFJXORJKEDQY-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)C)[NH+](C)C ZINC001158117860 1381133928 /nfs/dbraw/zinc/13/39/28/1381133928.db2.gz LSNPUZFRIPRBGT-QZTJIDSGSA-N 2 0 325.541 3.076 20 0 EGADRP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227451 1381165974 /nfs/dbraw/zinc/16/59/74/1381165974.db2.gz HVBQVJJDBDQFTG-CRAIPNDOSA-N 2 0 346.450 3.009 20 0 EGADRP CC[C@H](F)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228110 1381167209 /nfs/dbraw/zinc/16/72/09/1381167209.db2.gz TUDPHMWINJXTRJ-FUHWJXTLSA-N 2 0 346.450 3.009 20 0 EGADRP COc1ccnc(N(c2cc3[nH]ccc3c(C)[nH+]2)C2CC[NH2+]CC2)c1 ZINC001158323203 1381200329 /nfs/dbraw/zinc/20/03/29/1381200329.db2.gz YAXUGOQBZJTTBC-UHFFFAOYSA-N 2 0 337.427 3.165 20 0 EGADRP CN(C)c1cccc(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)[nH+]1 ZINC001158446780 1381247929 /nfs/dbraw/zinc/24/79/29/1381247929.db2.gz ZIFCVKDKIRQYDK-UHFFFAOYSA-N 2 0 342.462 3.388 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480448 1381261266 /nfs/dbraw/zinc/26/12/66/1381261266.db2.gz MIFXGDFNVYWJSP-GOSISDBHSA-N 2 0 337.552 3.243 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001328281957 1388712859 /nfs/dbraw/zinc/71/28/59/1388712859.db2.gz FEIPJQKKVDEHIL-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001158704471 1381360142 /nfs/dbraw/zinc/36/01/42/1381360142.db2.gz LBFHLJPAJMPESO-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158767988 1381389404 /nfs/dbraw/zinc/38/94/04/1381389404.db2.gz BWJLCDCEUQUPLM-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCCCF ZINC001158781091 1381395766 /nfs/dbraw/zinc/39/57/66/1381395766.db2.gz LELPXVIEOZOVJR-GOSISDBHSA-N 2 0 343.531 3.171 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001328362049 1388730352 /nfs/dbraw/zinc/73/03/52/1388730352.db2.gz XAFNFHARJJBJNG-ICSRJNTNSA-N 2 0 345.531 3.100 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccnc2OCC2CC[NH2+]CC2)c1 ZINC001159295543 1381756241 /nfs/dbraw/zinc/75/62/41/1381756241.db2.gz YQGVEWCOXBJNDO-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001159335174 1381768060 /nfs/dbraw/zinc/76/80/60/1381768060.db2.gz UHKUKUXVQHOINJ-UXHICEINSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001159335042 1381768077 /nfs/dbraw/zinc/76/80/77/1381768077.db2.gz PSCCKRGSLHLNKC-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001159347174 1381771890 /nfs/dbraw/zinc/77/18/90/1381771890.db2.gz LRJXHMWYDJJTIZ-GOSISDBHSA-N 2 0 340.471 3.408 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1-c1nnc(CN(C)C)o1 ZINC001328433782 1388744883 /nfs/dbraw/zinc/74/48/83/1388744883.db2.gz PFXHKUQMVISVMS-OAHLLOKOSA-N 2 0 344.459 3.051 20 0 EGADRP c1cc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)ccc1CN1CC[NH2+]CC1 ZINC001159571643 1381833799 /nfs/dbraw/zinc/83/37/99/1381833799.db2.gz QEQPUCIOQHGOSS-OAQYLSRUSA-N 2 0 336.483 3.260 20 0 EGADRP Cc1ccc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)[nH+]c1C ZINC001159625794 1381851129 /nfs/dbraw/zinc/85/11/29/1381851129.db2.gz NEUHXORYAQRISK-MXVIHJGJSA-N 2 0 342.531 3.449 20 0 EGADRP C[NH+](C)CCOc1cccc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)c1 ZINC001159779529 1381896576 /nfs/dbraw/zinc/89/65/76/1381896576.db2.gz YLHWSJCHPQESCP-KRWDZBQOSA-N 2 0 325.456 3.448 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc[nH+]c(N)n3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001159886806 1381928721 /nfs/dbraw/zinc/92/87/21/1381928721.db2.gz LMRYGTBNPWNFMZ-NEMWNAMBSA-N 2 0 331.508 3.429 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001159908749 1381934283 /nfs/dbraw/zinc/93/42/83/1381934283.db2.gz JVELLMUQWHRZQN-APWZRJJASA-N 2 0 349.494 3.246 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001159909789 1381934306 /nfs/dbraw/zinc/93/43/06/1381934306.db2.gz NINKJLPLJRXTEC-FQEVSTJZSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001159908740 1381934758 /nfs/dbraw/zinc/93/47/58/1381934758.db2.gz JLFSYGIXUSKZOP-PKOBYXMFSA-N 2 0 331.504 3.106 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159915781 1381936442 /nfs/dbraw/zinc/93/64/42/1381936442.db2.gz NUTWSDVJYPLJMO-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001159916721 1381936726 /nfs/dbraw/zinc/93/67/26/1381936726.db2.gz RFCBCUPOGBONHU-FXAWDEMLSA-N 2 0 343.515 3.251 20 0 EGADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(-n4ccnc4)cc[nH+]3)c2c1 ZINC001160013994 1381968763 /nfs/dbraw/zinc/96/87/63/1381968763.db2.gz ZRTAUJMIVCRQFE-OAHLLOKOSA-N 2 0 331.423 3.409 20 0 EGADRP Nc1cccc(F)c1N(CC1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]C2 ZINC001160124112 1382004777 /nfs/dbraw/zinc/00/47/77/1382004777.db2.gz LUTZEGUHBVWIEL-UHFFFAOYSA-N 2 0 340.446 3.149 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131027 1382008237 /nfs/dbraw/zinc/00/82/37/1382008237.db2.gz DCMOINIUCHKRCG-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175160 1382024883 /nfs/dbraw/zinc/02/48/83/1382024883.db2.gz CGIWBYXKWJXQNI-YKMDAGRBSA-N 2 0 347.547 3.211 20 0 EGADRP Fc1cccc(NC=CC2CC[NH2+]CC2)c1OCC1CC[NH2+]CC1 ZINC001160194634 1382030206 /nfs/dbraw/zinc/03/02/06/1382030206.db2.gz FRTIPVFQKVMWHM-MDWZMJQESA-N 2 0 333.451 3.129 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160273099 1382057970 /nfs/dbraw/zinc/05/79/70/1382057970.db2.gz HOANEWBKAJPNSW-IBGZPJMESA-N 2 0 345.531 3.280 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001160273350 1382058367 /nfs/dbraw/zinc/05/83/67/1382058367.db2.gz KSMFPGPRSSCOHT-MJGOQNOKSA-N 2 0 331.504 3.026 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001160273034 1382058493 /nfs/dbraw/zinc/05/84/93/1382058493.db2.gz GLFLWUOSGUNEPX-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP c1cc2c(c(Nc3ccc(C[NH+]4CCCC4)cc3)c1)[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160394650 1382092544 /nfs/dbraw/zinc/09/25/44/1382092544.db2.gz LPQOFZHHISQYKK-PXNSSMCTSA-N 2 0 335.451 3.474 20 0 EGADRP COc1ccc2c(Nc3cccc4c3[C@H]3C[NH2+]C[C@H]3O4)cc[nH+]c2c1 ZINC001160397410 1382093521 /nfs/dbraw/zinc/09/35/21/1382093521.db2.gz YFWYYWOIXRQZLA-IFXJQAMLSA-N 2 0 333.391 3.435 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160501055 1382125290 /nfs/dbraw/zinc/12/52/90/1382125290.db2.gz VPSUUXMGUPJONS-RRFGBZISSA-N 2 0 347.547 3.356 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001160501066 1382125802 /nfs/dbraw/zinc/12/58/02/1382125802.db2.gz VTAFJPDVJPDQFJ-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001160757686 1382188717 /nfs/dbraw/zinc/18/87/17/1382188717.db2.gz WFPWCUAHDHYTJY-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160869764 1382219867 /nfs/dbraw/zinc/21/98/67/1382219867.db2.gz SMFHNQWYHXTIBO-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)c1cc2c[nH]ccc-2n1)c1ccccc1F ZINC001160990076 1382263297 /nfs/dbraw/zinc/26/32/97/1382263297.db2.gz CWWISCZDAUQAQS-ZDUSSCGKSA-N 2 0 340.402 3.173 20 0 EGADRP Cc1cc(C[N@H+]2CC=C(CCNC(=O)CCC[NH+](C)C)CC2)cs1 ZINC001161029606 1382277591 /nfs/dbraw/zinc/27/75/91/1382277591.db2.gz OVKRTFOPVRPJDA-UHFFFAOYSA-N 2 0 349.544 3.037 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001161029673 1382277600 /nfs/dbraw/zinc/27/76/00/1382277600.db2.gz QYDWCEYHSCQJPV-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCC(CC)[NH+]1CCC(Nc2cc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001161100920 1382296357 /nfs/dbraw/zinc/29/63/57/1382296357.db2.gz YOAOBYQSKPEACD-UHFFFAOYSA-N 2 0 336.911 3.446 20 0 EGADRP Cc1[nH+]c(NC2CC[NH+](CC3CCOCC3)CC2)cc2[nH]ccc21 ZINC001161215717 1382345600 /nfs/dbraw/zinc/34/56/00/1382345600.db2.gz YIYFNBNRXHUIJY-UHFFFAOYSA-N 2 0 328.460 3.174 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161219954 1382346274 /nfs/dbraw/zinc/34/62/74/1382346274.db2.gz RWLOEUCPOOBLPN-SFFCAUCYSA-N 2 0 347.547 3.213 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219715 1382346984 /nfs/dbraw/zinc/34/69/84/1382346984.db2.gz MJQKBXBQWRTSRJ-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001161388631 1382393686 /nfs/dbraw/zinc/39/36/86/1382393686.db2.gz JARJTRZRUAVHOU-PMACEKPBSA-N 2 0 347.547 3.483 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]CCC2CCCCC2)ccc2c[nH+]cn21 ZINC001161563624 1382440351 /nfs/dbraw/zinc/44/03/51/1382440351.db2.gz AKEKLGABOBIPCQ-UHFFFAOYSA-N 2 0 342.487 3.323 20 0 EGADRP [NH3+]C1(CC2CCC2)CCN(c2ncccc2C[NH+]2CCCC2)CC1 ZINC001161577251 1382444329 /nfs/dbraw/zinc/44/43/29/1382444329.db2.gz JLQSYCMECPELFQ-UHFFFAOYSA-N 2 0 328.504 3.165 20 0 EGADRP [NH3+][C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CCCCC1 ZINC001328594481 1388786100 /nfs/dbraw/zinc/78/61/00/1388786100.db2.gz WELPWVNSKXJANE-LJQANCHMSA-N 2 0 329.488 3.171 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1C ZINC001161643734 1382468657 /nfs/dbraw/zinc/46/86/57/1382468657.db2.gz ALIWSQIUMGKVRF-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](C(C)C)CC1 ZINC001161678938 1382478566 /nfs/dbraw/zinc/47/85/66/1382478566.db2.gz PFKOCNFAHFBHBJ-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001161682847 1382479158 /nfs/dbraw/zinc/47/91/58/1382479158.db2.gz AWKXFTCBNSCLMG-UHFFFAOYSA-N 2 0 337.552 3.435 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161705499 1382485691 /nfs/dbraw/zinc/48/56/91/1382485691.db2.gz ULVDJBZJQLHKTE-AZUAARDMSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C/CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001161749806 1382494922 /nfs/dbraw/zinc/49/49/22/1382494922.db2.gz NNNVPUGZCMQRHJ-VOTSOKGWSA-N 2 0 335.536 3.213 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCC(C)CC2)CC1 ZINC001161755391 1382496081 /nfs/dbraw/zinc/49/60/81/1382496081.db2.gz VPZOISVZSNWJGG-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001161795367 1382508256 /nfs/dbraw/zinc/50/82/56/1382508256.db2.gz DXSSQCKVCKTOIL-GOSISDBHSA-N 2 0 343.515 3.089 20 0 EGADRP c1cn(-c2cc[nH+]c(NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)cn1 ZINC001161885989 1382540705 /nfs/dbraw/zinc/54/07/05/1382540705.db2.gz KUDGWCUWZBEILD-IBGZPJMESA-N 2 0 333.439 3.344 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)nc1 ZINC001162803698 1382877631 /nfs/dbraw/zinc/87/76/31/1382877631.db2.gz UMUAPWGVCYAHCN-QXCFHYIPSA-N 2 0 326.488 3.205 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)nc1 ZINC001162803696 1382877686 /nfs/dbraw/zinc/87/76/86/1382877686.db2.gz UMUAPWGVCYAHCN-JCHJZTRSSA-N 2 0 326.488 3.205 20 0 EGADRP CC(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906709 1382911901 /nfs/dbraw/zinc/91/19/01/1382911901.db2.gz ONCLVEIPRUJHFY-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001162909479 1382912294 /nfs/dbraw/zinc/91/22/94/1382912294.db2.gz XNKWEPWSNLCCFR-OAHLLOKOSA-N 2 0 338.455 3.376 20 0 EGADRP CC[C@@H](C(=O)N(CC[NH2+]C(C)C)CCc1ccccc1)[NH+](CC)CC ZINC001162928810 1382918978 /nfs/dbraw/zinc/91/89/78/1382918978.db2.gz NQYHKLVIXYNLJE-FQEVSTJZSA-N 2 0 347.547 3.176 20 0 EGADRP CC[C@@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977334 1382934952 /nfs/dbraw/zinc/93/49/52/1382934952.db2.gz LMKZTUHDCXRCGJ-LJQANCHMSA-N 2 0 347.547 3.035 20 0 EGADRP CCCC(C[NH3+])(CCC)Nc1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001163038383 1382952633 /nfs/dbraw/zinc/95/26/33/1382952633.db2.gz FWMZRCYBOXAJES-UHFFFAOYSA-N 2 0 339.915 3.307 20 0 EGADRP COCC[N@H+](C)[C@H](CNc1cc(N)c(C)c[nH+]1)c1ccc(Cl)cc1 ZINC001163384612 1383038160 /nfs/dbraw/zinc/03/81/60/1383038160.db2.gz LDSRBDAIFHIJNU-QGZVFWFLSA-N 2 0 348.878 3.357 20 0 EGADRP [NH2+]=C(Nc1ncccc1N1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001163840798 1383127821 /nfs/dbraw/zinc/12/78/21/1383127821.db2.gz GTUIJRNLEPYRKO-UHFFFAOYSA-N 2 0 339.487 3.097 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2c(C)cccc2C)C1 ZINC001164449963 1383188216 /nfs/dbraw/zinc/18/82/16/1383188216.db2.gz VTJASNXJPYVBMU-IBGZPJMESA-N 2 0 345.531 3.021 20 0 EGADRP CC(C)CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500835 1383193675 /nfs/dbraw/zinc/19/36/75/1383193675.db2.gz HTFBQNSAXSLRKW-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531583 1383196799 /nfs/dbraw/zinc/19/67/99/1383196799.db2.gz NUQWGVCTEPEDKX-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001164582698 1383202135 /nfs/dbraw/zinc/20/21/35/1383202135.db2.gz NLSWTTZKZATNLP-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@@H]32)cc1 ZINC001165082897 1383224477 /nfs/dbraw/zinc/22/44/77/1383224477.db2.gz FFKFLYCWYNFIET-CTNGQTDRSA-N 2 0 348.494 3.393 20 0 EGADRP [NH3+][C@H]1CCN(c2cccc(F)c2NC2=CC[C@H]([NH+]3CCCC3)CC2)C1 ZINC001165213398 1383249766 /nfs/dbraw/zinc/24/97/66/1383249766.db2.gz JESQIIPDJUPPHI-RDJZCZTQSA-N 2 0 344.478 3.307 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001165246179 1383257080 /nfs/dbraw/zinc/25/70/80/1383257080.db2.gz MYNZPWMGKAZXEP-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165264410 1383261558 /nfs/dbraw/zinc/26/15/58/1383261558.db2.gz CKUGFDQUTWDXMB-HNNXBMFYSA-N 2 0 338.377 3.084 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNc2nc3cc(Br)ccc3[nH]2)C1 ZINC001165279577 1383264676 /nfs/dbraw/zinc/26/46/76/1383264676.db2.gz WEYRQTOEZGAWHB-NSHDSACASA-N 2 0 337.265 3.469 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165628490 1383316874 /nfs/dbraw/zinc/31/68/74/1383316874.db2.gz UKPLUKITTXHSOU-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)C[NH2+]CC1(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001165895504 1383360040 /nfs/dbraw/zinc/36/00/40/1383360040.db2.gz ZYIWOICPTBEXIZ-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166389798 1383417985 /nfs/dbraw/zinc/41/79/85/1383417985.db2.gz HOBPLLLFECAWAA-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166408923 1383419259 /nfs/dbraw/zinc/41/92/59/1383419259.db2.gz IGYZGIFFLSBURT-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21)[NH+](CC)CC ZINC001166447644 1383423622 /nfs/dbraw/zinc/42/36/22/1383423622.db2.gz MLOHPEYGQKVCLX-RBUKOAKNSA-N 2 0 349.494 3.029 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166545422 1383436480 /nfs/dbraw/zinc/43/64/80/1383436480.db2.gz MTGKDZVPQNLIRA-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001166751390 1383471563 /nfs/dbraw/zinc/47/15/63/1383471563.db2.gz QCXSIFMIBPUSLF-QGZVFWFLSA-N 2 0 333.520 3.130 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166842037 1383486528 /nfs/dbraw/zinc/48/65/28/1383486528.db2.gz IHZDOTJYJCZREC-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1)[NH+](C)C ZINC001166851784 1383487968 /nfs/dbraw/zinc/48/79/68/1383487968.db2.gz HBSKYIBKMODFGN-ABHNRTSZSA-N 2 0 339.568 3.275 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001166870164 1383490331 /nfs/dbraw/zinc/49/03/31/1383490331.db2.gz UYPNRKORRKGFJC-UHFFFAOYSA-N 2 0 347.547 3.095 20 0 EGADRP [NH3+][C@@H]1CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1(F)F ZINC001166958701 1383504742 /nfs/dbraw/zinc/50/47/42/1383504742.db2.gz HQDLKXWKISOFLO-QGZVFWFLSA-N 2 0 342.393 3.257 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179672 1383559465 /nfs/dbraw/zinc/55/94/65/1383559465.db2.gz OMQOIRONRFYMNA-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167225398 1383570377 /nfs/dbraw/zinc/57/03/77/1383570377.db2.gz UEEIRHWRQHMOJO-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001167232780 1383570890 /nfs/dbraw/zinc/57/08/90/1383570890.db2.gz PMNQJMPCXBYRIX-SFHVURJKSA-N 2 0 349.563 3.175 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385510 1383619027 /nfs/dbraw/zinc/61/90/27/1383619027.db2.gz HDCDHNHLOPPOQA-PHWHVTFISA-N 2 0 349.563 3.483 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426005 1383631243 /nfs/dbraw/zinc/63/12/43/1383631243.db2.gz NMDVHDGNCFGHBY-QVOQXLMASA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466155 1383640375 /nfs/dbraw/zinc/64/03/75/1383640375.db2.gz DOXCVNSKMZFUPW-ROUUACIJSA-N 2 0 339.568 3.275 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466203 1383640544 /nfs/dbraw/zinc/64/05/44/1383640544.db2.gz GLPHHPZXJHIBQU-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC1(C[NH2+]CC=C(C)C)CC1)C(C)C ZINC001167466513 1383640904 /nfs/dbraw/zinc/64/09/04/1383640904.db2.gz QQAPDRCPSFCPEN-SFHVURJKSA-N 2 0 337.552 3.195 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC1(C[NH2+]CCC(C)C)CC1)C(C)C ZINC001167466478 1383641241 /nfs/dbraw/zinc/64/12/41/1383641241.db2.gz OUXNTCATAVAGNB-SFHVURJKSA-N 2 0 339.568 3.275 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001167609277 1383688570 /nfs/dbraw/zinc/68/85/70/1383688570.db2.gz MRPFZTVQMGUDHL-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167609569 1383689017 /nfs/dbraw/zinc/68/90/17/1383689017.db2.gz NKGHEILSNVANQI-OALUTQOASA-N 2 0 345.531 3.416 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)[NH+]1CCCCCC1 ZINC001167609659 1383689044 /nfs/dbraw/zinc/68/90/44/1383689044.db2.gz OKGSZNUGZISYEP-PXNSSMCTSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167627923 1383693515 /nfs/dbraw/zinc/69/35/15/1383693515.db2.gz UYNUWMQCVGBIMF-FQEVSTJZSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC1(C[NH2+]CC(C)C)CC1)c1ccccc1 ZINC001167711436 1383719519 /nfs/dbraw/zinc/71/95/19/1383719519.db2.gz XYOCVUSGCQQDNI-IBGZPJMESA-N 2 0 345.531 3.212 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167784294 1383740011 /nfs/dbraw/zinc/74/00/11/1383740011.db2.gz OZMGLUDJAGEYLS-UHFFFAOYSA-N 2 0 349.563 3.485 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2cccc(OC)n2)C1 ZINC001167834123 1383753155 /nfs/dbraw/zinc/75/31/55/1383753155.db2.gz HOQGOSNEXZREHN-ZWKOTPCHSA-N 2 0 349.519 3.444 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001167836006 1383754245 /nfs/dbraw/zinc/75/42/45/1383754245.db2.gz NMOIWSZKDNHJQJ-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1ccc(OC)cn1)C1CC[NH2+]CC1 ZINC001167835839 1383754311 /nfs/dbraw/zinc/75/43/11/1383754311.db2.gz UMHBEUUIQPUBGN-QGZVFWFLSA-N 2 0 348.535 3.159 20 0 EGADRP FC(F)(F)c1ccc2[nH+]ccc(NCC[NH+]3CCSCC3)c2c1 ZINC001167837583 1383755016 /nfs/dbraw/zinc/75/50/16/1383755016.db2.gz SPNKUAPRNCWJGZ-UHFFFAOYSA-N 2 0 341.402 3.136 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2C)CC1 ZINC001167842787 1383756587 /nfs/dbraw/zinc/75/65/87/1383756587.db2.gz YRFOXLPXQOUYKZ-IBGZPJMESA-N 2 0 345.531 3.263 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167968910 1383781959 /nfs/dbraw/zinc/78/19/59/1383781959.db2.gz WRFOPVHEDVMTQQ-ZCHBJMIBSA-N 2 0 334.504 3.103 20 0 EGADRP Cc1cnccc1O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001348 1383792578 /nfs/dbraw/zinc/79/25/78/1383792578.db2.gz ATHRGXOEISENLO-JIRNRHONSA-N 2 0 341.499 3.249 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168044631 1383804416 /nfs/dbraw/zinc/80/44/16/1383804416.db2.gz GILTWZSYOWBMAY-XQPJFTJZSA-N 2 0 329.532 3.452 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168290486 1383864221 /nfs/dbraw/zinc/86/42/21/1383864221.db2.gz GBTGBAXJCBSGBM-HDICACEKSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168290904 1383865303 /nfs/dbraw/zinc/86/53/03/1383865303.db2.gz NNJITCQOSLLCLJ-SMJNTDKHSA-N 2 0 349.563 3.482 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC2(Cc3ccccc3)CCOCC2)CC1 ZINC001168304977 1383868190 /nfs/dbraw/zinc/86/81/90/1383868190.db2.gz DTQMGMGLYUOXIL-UHFFFAOYSA-N 2 0 330.516 3.488 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cncn2Cc2cccc(F)c2)CC1 ZINC001168304925 1383868530 /nfs/dbraw/zinc/86/85/30/1383868530.db2.gz BFAJBIUXTRZTTK-UHFFFAOYSA-N 2 0 330.451 3.033 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168321137 1383872702 /nfs/dbraw/zinc/87/27/02/1383872702.db2.gz YSERLEBUXRICCT-ONEGZZNKSA-N 2 0 335.536 3.095 20 0 EGADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001168330232 1383875109 /nfs/dbraw/zinc/87/51/09/1383875109.db2.gz NOICXJYYXIJHSW-IGBVOLGGSA-N 2 0 329.532 3.454 20 0 EGADRP Cc1ccc(C[NH2+]CC2(CCNC(=O)C[N@@H+](C)C(C)C)CC2)cc1C ZINC001168344980 1383878977 /nfs/dbraw/zinc/87/89/77/1383878977.db2.gz INXRBIAARLMBEF-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP COc1cc[nH+]c(N([C@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001168501528 1383925835 /nfs/dbraw/zinc/92/58/35/1383925835.db2.gz SABHBRRZLLNCCD-OAHLLOKOSA-N 2 0 343.446 3.419 20 0 EGADRP C[NH+]1CCN(c2ccc(N3C[C@H](CC[NH3+])c4ccccc43)cc2)CC1 ZINC001168549936 1383934411 /nfs/dbraw/zinc/93/44/11/1383934411.db2.gz QYQGUBUKMDUIJV-KRWDZBQOSA-N 2 0 336.483 3.023 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+]CCC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168575543 1383940282 /nfs/dbraw/zinc/94/02/82/1383940282.db2.gz HFEPVBOTWGIGFA-UYAOXDASSA-N 2 0 332.488 3.237 20 0 EGADRP CC[NH+](CC)Cc1ccc(Br)cc1NC1(CC)C[NH2+]C1 ZINC001168586886 1383942452 /nfs/dbraw/zinc/94/24/52/1383942452.db2.gz MWBFTVPJBJMPSN-UHFFFAOYSA-N 2 0 340.309 3.455 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccccc3C[NH3+])CCO2)cc1 ZINC001168609157 1383947600 /nfs/dbraw/zinc/94/76/00/1383947600.db2.gz MVSQIJBAMMYKTF-QUCCMNQESA-N 2 0 326.440 3.164 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH+]3CCC(C[NH+](C)C)CC3)CCO2)cc1 ZINC001168652739 1383959516 /nfs/dbraw/zinc/95/95/16/1383959516.db2.gz JIFDJBMLOWCTFQ-ICSRJNTNSA-N 2 0 332.488 3.189 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCC4(C3)CC[NH+](C)CC4)CCO2)cc1 ZINC001168666898 1383964580 /nfs/dbraw/zinc/96/45/80/1383964580.db2.gz YMLUWPYBKXLZIC-ICSRJNTNSA-N 2 0 344.499 3.333 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CC1CCCCCC1)C(C)C ZINC001168666740 1383964830 /nfs/dbraw/zinc/96/48/30/1383964830.db2.gz KECAQQYTLOPWFA-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@H](c4ccc(OC)cc4)C3)C[C@H]2C1 ZINC001168674878 1383967215 /nfs/dbraw/zinc/96/72/15/1383967215.db2.gz ZVILTLRPLGSRBU-XCJLJZCSSA-N 2 0 344.499 3.189 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168820600 1384018724 /nfs/dbraw/zinc/01/87/24/1384018724.db2.gz ZFYMNYCXUQKEFR-DLBZAZTESA-N 2 0 339.524 3.240 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)CC(C)(C)CC[NH3+] ZINC001168828533 1384022625 /nfs/dbraw/zinc/02/26/25/1384022625.db2.gz HTCWGRDVECLVFV-HRCADAONSA-N 2 0 341.540 3.375 20 0 EGADRP C[C@H]1C[C@H](n2cc(CC[NH3+])c3c[nH+]ccc32)CN1C(=O)OC(C)(C)C ZINC001168829487 1384022697 /nfs/dbraw/zinc/02/26/97/1384022697.db2.gz NTCDLXBARIVYQN-ZFWWWQNUSA-N 2 0 344.459 3.108 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2COC3(CCCCC3)O2)cc1 ZINC001168839786 1384028216 /nfs/dbraw/zinc/02/82/16/1384028216.db2.gz WXJJXWKTSASPLC-IBGZPJMESA-N 2 0 332.488 3.256 20 0 EGADRP COc1ccc(CC2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCOCC2)cc1 ZINC001169115299 1384109007 /nfs/dbraw/zinc/10/90/07/1384109007.db2.gz IHYQJWNKDOVIHN-REPLKXPHSA-N 2 0 344.499 3.002 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1)C2 ZINC001169115353 1384109326 /nfs/dbraw/zinc/10/93/26/1384109326.db2.gz JELDUUCCAJIDNE-JQALIZKVSA-N 2 0 335.536 3.065 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCCC1)C2 ZINC001169124997 1384110239 /nfs/dbraw/zinc/11/02/39/1384110239.db2.gz VZVSRLZKSWZPDN-BJWYYQGGSA-N 2 0 336.520 3.493 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129865 1384111322 /nfs/dbraw/zinc/11/13/22/1384111322.db2.gz LDAJMWWWSMYRGW-NHAYFPRASA-N 2 0 349.519 3.087 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169139348 1384112390 /nfs/dbraw/zinc/11/23/90/1384112390.db2.gz BGVMFSBODMRJQC-AERCQKQUSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]([NH3+])c1ccn(-c2ccc([C@H](CC[NH+](C)C)c3ccccn3)cc2)n1 ZINC001169233534 1384125246 /nfs/dbraw/zinc/12/52/46/1384125246.db2.gz RKOAKDLAGMTYMR-APWZRJJASA-N 2 0 349.482 3.371 20 0 EGADRP CCN1CCC([N@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240476 1384126574 /nfs/dbraw/zinc/12/65/74/1384126574.db2.gz JEKIQPHSVMAYAU-WGSAOQKQSA-N 2 0 345.531 3.251 20 0 EGADRP Cc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c(Cl)c1 ZINC001308487874 1384128324 /nfs/dbraw/zinc/12/83/24/1384128324.db2.gz MTYSWSFZBUBIEK-UHFFFAOYSA-N 2 0 330.863 3.407 20 0 EGADRP CC[NH+]1CCC(N2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169262375 1384129097 /nfs/dbraw/zinc/12/90/97/1384129097.db2.gz ZUUNDVPVLWMHKJ-JOCHJYFZSA-N 2 0 341.543 3.459 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC001308671814 1384141096 /nfs/dbraw/zinc/14/10/96/1384141096.db2.gz KNWASOPTOQGSRW-CABCVRRESA-N 2 0 346.462 3.065 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797913 1384186954 /nfs/dbraw/zinc/18/69/54/1384186954.db2.gz KWRWYGLNMRWAMZ-OJECNVDMSA-N 2 0 343.515 3.059 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954463 1384203865 /nfs/dbraw/zinc/20/38/65/1384203865.db2.gz ATHSEHIHDZFEGU-VQTJNVASSA-N 2 0 344.499 3.126 20 0 EGADRP C[C@@H](Cc1ccccc1Cl)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001170283906 1384282409 /nfs/dbraw/zinc/28/24/09/1384282409.db2.gz BPIDINPHQWTXEG-KRWDZBQOSA-N 2 0 339.955 3.476 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170529321 1384336169 /nfs/dbraw/zinc/33/61/69/1384336169.db2.gz KGZNBQKEMYNCQS-WTGUMLROSA-N 2 0 344.499 3.409 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527523 1384336216 /nfs/dbraw/zinc/33/62/16/1384336216.db2.gz ZFYRYJWVDQJBMN-VDHUWJSZSA-N 2 0 348.462 3.239 20 0 EGADRP Cc1ccc(N)cc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170528495 1384336252 /nfs/dbraw/zinc/33/62/52/1384336252.db2.gz QZCNCPPURLVDTB-UHFFFAOYSA-N 2 0 348.494 3.487 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170749890 1384377450 /nfs/dbraw/zinc/37/74/50/1384377450.db2.gz DHDADQJLWYBZHE-ROUUACIJSA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001170749626 1384377669 /nfs/dbraw/zinc/37/76/69/1384377669.db2.gz AEWWXPSXYMEWFB-MSOLQXFVSA-N 2 0 343.531 3.264 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001170756862 1384380141 /nfs/dbraw/zinc/38/01/41/1384380141.db2.gz SOLJDMGGJMQFES-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769954 1384382860 /nfs/dbraw/zinc/38/28/60/1384382860.db2.gz QUBFOYFSJVMNOJ-HGPCXVNDSA-N 2 0 343.943 3.268 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170795295 1384387049 /nfs/dbraw/zinc/38/70/49/1384387049.db2.gz JWKNKBSRUORANQ-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862184 1384400840 /nfs/dbraw/zinc/40/08/40/1384400840.db2.gz JQZHWNFYNPBJAJ-QWFCFKBJSA-N 2 0 345.531 3.100 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170867533 1384401236 /nfs/dbraw/zinc/40/12/36/1384401236.db2.gz JUNXDXWHHSWYGW-IBGZPJMESA-N 2 0 333.520 3.356 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]Cc1ccsc1)c1ccccc1 ZINC001170869008 1384401937 /nfs/dbraw/zinc/40/19/37/1384401937.db2.gz YREOOCGOHVRMMU-SFHVURJKSA-N 2 0 345.512 3.037 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CCc3ccc(Br)cc3C1)CC2 ZINC001170885825 1384405033 /nfs/dbraw/zinc/40/50/33/1384405033.db2.gz OQYZUGCASHQUTR-QGZVFWFLSA-N 2 0 349.316 3.334 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cccc(-c2ccccc2OC(F)(F)F)n1 ZINC001170897859 1384407367 /nfs/dbraw/zinc/40/73/67/1384407367.db2.gz PJTRRZCZJBKBGV-CQSZACIVSA-N 2 0 340.349 3.083 20 0 EGADRP Cc1c(-c2ccccc2)sc2ncnc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001170899100 1384407995 /nfs/dbraw/zinc/40/79/95/1384407995.db2.gz RVJLGIWSKZIKBA-ZDUSSCGKSA-N 2 0 327.457 3.102 20 0 EGADRP CC1(C)c2ccc(N[C@@H]([NH3+])CCC[NH3+])cc2N(c2ccccc2)C1=O ZINC001170904841 1384408307 /nfs/dbraw/zinc/40/83/07/1384408307.db2.gz QLHBPEQLSUJBPY-GOSISDBHSA-N 2 0 338.455 3.078 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171068831 1384440639 /nfs/dbraw/zinc/44/06/39/1384440639.db2.gz LFFQMILRIFKAOW-IAGOWNOFSA-N 2 0 331.520 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001171119906 1384449395 /nfs/dbraw/zinc/44/93/95/1384449395.db2.gz KOVDKPQKFXILSQ-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171247706 1384477528 /nfs/dbraw/zinc/47/75/28/1384477528.db2.gz NLTVMIDQMPNYCG-MSOLQXFVSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247675 1384477685 /nfs/dbraw/zinc/47/76/85/1384477685.db2.gz NAKJZMHGTJJJFG-LPHOPBHVSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248656 1384478284 /nfs/dbraw/zinc/47/82/84/1384478284.db2.gz WZHHHHCKGDXSPR-LPHOPBHVSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171317021 1384493541 /nfs/dbraw/zinc/49/35/41/1384493541.db2.gz CTIGKWGGHIYHTC-AZUAARDMSA-N 2 0 345.531 3.326 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001171362185 1384502535 /nfs/dbraw/zinc/50/25/35/1384502535.db2.gz KUTWRQLMMASBSH-IAGOWNOFSA-N 2 0 346.519 3.074 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439079 1384523965 /nfs/dbraw/zinc/52/39/65/1384523965.db2.gz WBSPYIRXABMEJC-OALUTQOASA-N 2 0 346.490 3.258 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171500276 1384542702 /nfs/dbraw/zinc/54/27/02/1384542702.db2.gz KBOMKIIWYWASEZ-YLJYHZDGSA-N 2 0 347.547 3.354 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001171501984 1384543933 /nfs/dbraw/zinc/54/39/33/1384543933.db2.gz ZFIGSOWEDZZEMH-YLJYHZDGSA-N 2 0 347.547 3.354 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171537425 1384555282 /nfs/dbraw/zinc/55/52/82/1384555282.db2.gz CFHBETSSSVHWSC-FNYRVFDFSA-N 2 0 337.552 3.482 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171548003 1384559711 /nfs/dbraw/zinc/55/97/11/1384559711.db2.gz ZKANIUUBVCGYNC-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001171579418 1384570367 /nfs/dbraw/zinc/57/03/67/1384570367.db2.gz WNEBDASVNZAHEO-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579590 1384570535 /nfs/dbraw/zinc/57/05/35/1384570535.db2.gz XXYVKAOAHMFCLG-UHFFFAOYSA-N 2 0 333.520 3.138 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171629313 1384585683 /nfs/dbraw/zinc/58/56/83/1384585683.db2.gz KTPHRFRIPBZXEB-INIZCTEOSA-N 2 0 342.487 3.487 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1(C)C ZINC001171644892 1384591019 /nfs/dbraw/zinc/59/10/19/1384591019.db2.gz SQQIOLDFTFFUEX-IRXDYDNUSA-N 2 0 325.516 3.146 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669559 1384597137 /nfs/dbraw/zinc/59/71/37/1384597137.db2.gz ZPJYPBUQPDQAKV-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP Cc1ncn([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001171728936 1384615604 /nfs/dbraw/zinc/61/56/04/1384615604.db2.gz SFMCMCJARIYNTG-QAPCUYQASA-N 2 0 344.528 3.219 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001171732092 1384617721 /nfs/dbraw/zinc/61/77/21/1384617721.db2.gz UTMMAKUWQITKCE-KRWDZBQOSA-N 2 0 345.531 3.064 20 0 EGADRP C[C@H]1C[C@H](N2CCC([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171746931 1384624366 /nfs/dbraw/zinc/62/43/66/1384624366.db2.gz UVTQROYTMXWQSX-RXVVDRJESA-N 2 0 327.516 3.210 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171787246 1384636630 /nfs/dbraw/zinc/63/66/30/1384636630.db2.gz IGRIVEOGDJGJJG-WDSOQIARSA-N 2 0 339.458 3.460 20 0 EGADRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829207 1384652910 /nfs/dbraw/zinc/65/29/10/1384652910.db2.gz VEYKZPNLGRABMR-INIZCTEOSA-N 2 0 339.524 3.368 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171865780 1384665259 /nfs/dbraw/zinc/66/52/59/1384665259.db2.gz GUVOHUWISXNIQQ-FQEVSTJZSA-N 2 0 345.531 3.393 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929032 1384685206 /nfs/dbraw/zinc/68/52/06/1384685206.db2.gz CMQDHCMFIAGONP-OQRGYWNNSA-N 2 0 343.943 3.268 20 0 EGADRP CC1(C)C[C@H]([NH2+]C[C@@H](O)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171984466 1384703467 /nfs/dbraw/zinc/70/34/67/1384703467.db2.gz VYQQPBZDHQDQGH-WOJBJXKFSA-N 2 0 339.483 3.148 20 0 EGADRP C[NH+]1CC2(C1)CCN([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987391 1384705574 /nfs/dbraw/zinc/70/55/74/1384705574.db2.gz UOKWPAZIMPIUDY-HXUWFJFHSA-N 2 0 341.543 3.457 20 0 EGADRP CCN1CC[C@@H]([N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172040497 1384712551 /nfs/dbraw/zinc/71/25/51/1384712551.db2.gz XRSWAHKGZNVQTP-VAMGGRTRSA-N 2 0 343.515 3.078 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172064523 1384714476 /nfs/dbraw/zinc/71/44/76/1384714476.db2.gz GSFJRJIDWAGHSP-GZYGRNMYSA-N 2 0 328.500 3.465 20 0 EGADRP O[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC001172063744 1384714883 /nfs/dbraw/zinc/71/48/83/1384714883.db2.gz CDYRTHSMQPLVIH-YRPNKDGESA-N 2 0 340.467 3.488 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](NCC[NH+]2CCCC2)C3)cc1 ZINC001172064014 1384714996 /nfs/dbraw/zinc/71/49/96/1384714996.db2.gz DEABKOZONPZLDI-WKCHPHFGSA-N 2 0 327.516 3.258 20 0 EGADRP COC(=O)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067841 1384716879 /nfs/dbraw/zinc/71/68/79/1384716879.db2.gz OETNDNGTLVOIGD-LDLYASANSA-N 2 0 330.472 3.115 20 0 EGADRP c1nnc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001172070647 1384718255 /nfs/dbraw/zinc/71/82/55/1384718255.db2.gz QVMREOLOWVRLFU-NNZMDNLPSA-N 2 0 342.512 3.256 20 0 EGADRP Cn1cnc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172069990 1384718983 /nfs/dbraw/zinc/71/89/83/1384718983.db2.gz ZICVAOYTQJTRQT-WKCHPHFGSA-N 2 0 338.499 3.138 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172077982 1384721209 /nfs/dbraw/zinc/72/12/09/1384721209.db2.gz KSTNFPMFXVJGGZ-OSYLJGHBSA-N 2 0 339.524 3.238 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1c(Br)cccc1C[NH3+])C2 ZINC001172110522 1384730121 /nfs/dbraw/zinc/73/01/21/1384730121.db2.gz OCAAJBGAOUCUFZ-ZSOGYDGISA-N 2 0 338.293 3.335 20 0 EGADRP Cc1cccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)n1 ZINC001172112065 1384730133 /nfs/dbraw/zinc/73/01/33/1384730133.db2.gz RBPABHVAAUPWEE-REPLKXPHSA-N 2 0 343.515 3.043 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172113697 1384730450 /nfs/dbraw/zinc/73/04/50/1384730450.db2.gz JBAGHDCQAHPABF-BURNTYAHSA-N 2 0 327.516 3.174 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121647 1384734174 /nfs/dbraw/zinc/73/41/74/1384734174.db2.gz RQOQNOVQYRYNPN-NHAYFPRASA-N 2 0 349.519 3.087 20 0 EGADRP CC(C)OCC[NH+](CCOC(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123081 1384734617 /nfs/dbraw/zinc/73/46/17/1384734617.db2.gz XLYDLRCTFHGNHP-REPLKXPHSA-N 2 0 326.525 3.154 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001172350398 1384775564 /nfs/dbraw/zinc/77/55/64/1384775564.db2.gz YEJZGKSCCUYUNG-DLBZAZTESA-N 2 0 326.525 3.155 20 0 EGADRP COc1ccccc1CC1([NH3+])CC[NH+]([C@@H](C)CCOC(C)C)CC1 ZINC001172436992 1384791896 /nfs/dbraw/zinc/79/18/96/1384791896.db2.gz LGWQCVFPKPUCPB-KRWDZBQOSA-N 2 0 334.504 3.235 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CCC3CCCC3)C2)CCC1 ZINC001317036288 1384806753 /nfs/dbraw/zinc/80/67/53/1384806753.db2.gz CGEWFIODXFWBEU-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172631832 1384823429 /nfs/dbraw/zinc/82/34/29/1384823429.db2.gz ADDFBIFMGCXKIS-HRCADAONSA-N 2 0 327.513 3.129 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1)CC(C)(C)CC[NH3+] ZINC001172664411 1384829951 /nfs/dbraw/zinc/82/99/51/1384829951.db2.gz ODPULWABRQYKNO-IEBWSBKVSA-N 2 0 345.531 3.168 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001172776443 1384849670 /nfs/dbraw/zinc/84/96/70/1384849670.db2.gz GCQHNZUFHLJARL-RTBURBONSA-N 2 0 336.520 3.210 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001172792956 1384853239 /nfs/dbraw/zinc/85/32/39/1384853239.db2.gz VMBHZUSMEXKRPL-GUDVDZBRSA-N 2 0 336.520 3.449 20 0 EGADRP C[NH+](C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)CCC1 ZINC001317093893 1384855371 /nfs/dbraw/zinc/85/53/71/1384855371.db2.gz GSLQOMTUUBHHDC-YQQQUEKLSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[NH+]1CCN(CC[NH2+][C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172843078 1384863663 /nfs/dbraw/zinc/86/36/63/1384863663.db2.gz UQCKDUGZEMLLOC-OAHLLOKOSA-N 2 0 341.902 3.026 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173051875 1384901445 /nfs/dbraw/zinc/90/14/45/1384901445.db2.gz AKIYTXSGDQBFDN-RDHHWEPZSA-N 2 0 339.524 3.272 20 0 EGADRP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001173081969 1384910338 /nfs/dbraw/zinc/91/03/38/1384910338.db2.gz HZSOAFGNJZTYHC-ZFWWWQNUSA-N 2 0 330.394 3.448 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001173101878 1384914643 /nfs/dbraw/zinc/91/46/43/1384914643.db2.gz OVGOULLEOTYWJC-FHERZECASA-N 2 0 327.513 3.142 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](C(=O)NC(C)(C)C)C(C)C)CC1 ZINC001173105748 1384915772 /nfs/dbraw/zinc/91/57/72/1384915772.db2.gz DFJIWGAEONCUEL-JCYILVPMSA-N 2 0 325.541 3.168 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)CC1 ZINC001173108316 1384916054 /nfs/dbraw/zinc/91/60/54/1384916054.db2.gz BGPSPGJYXZBEQL-LMPOIIKSSA-N 2 0 336.442 3.275 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC001173108614 1384916216 /nfs/dbraw/zinc/91/62/16/1384916216.db2.gz PIGHBBQVFRLMDT-UHFFFAOYSA-N 2 0 345.531 3.470 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC001173108337 1384916251 /nfs/dbraw/zinc/91/62/51/1384916251.db2.gz CDRJRCMOPFOXRT-GPANFISMSA-N 2 0 336.442 3.419 20 0 EGADRP CC[NH+](CC)C1CCC(N(c2ncccc2F)C2CC[NH2+]CC2)CC1 ZINC001173112638 1384917093 /nfs/dbraw/zinc/91/70/93/1384917093.db2.gz AWYZPDGAGDYOKI-UHFFFAOYSA-N 2 0 348.510 3.432 20 0 EGADRP c1nc2c(s1)C[C@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)CC2 ZINC001173131507 1384920604 /nfs/dbraw/zinc/92/06/04/1384920604.db2.gz LGWMHSMUNCSKRD-QGZVFWFLSA-N 2 0 333.545 3.492 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC2CCCC2)CCC1 ZINC001317174946 1384945063 /nfs/dbraw/zinc/94/50/63/1384945063.db2.gz WVDXMSQEDSBCOZ-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[C@H](CC(C)C)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001173259457 1384946285 /nfs/dbraw/zinc/94/62/85/1384946285.db2.gz IUQRRFRICIVNPX-LJQANCHMSA-N 2 0 337.552 3.253 20 0 EGADRP CCC[N@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173410739 1384967561 /nfs/dbraw/zinc/96/75/61/1384967561.db2.gz PRNFZZRRLTWQAY-UHFFFAOYSA-N 2 0 337.895 3.005 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001173613203 1384988152 /nfs/dbraw/zinc/98/81/52/1384988152.db2.gz ZZVDGYSLKFTXEC-FDYSRKEFSA-N 2 0 336.520 3.354 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)C1 ZINC001173634700 1384993626 /nfs/dbraw/zinc/99/36/26/1384993626.db2.gz RBXIICIJCVHSHA-QZTJIDSGSA-N 2 0 338.536 3.456 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001173654714 1384996885 /nfs/dbraw/zinc/99/68/85/1384996885.db2.gz SSTLGYPHVBVVRN-CEXWTWQISA-N 2 0 336.520 3.449 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001317279525 1385049033 /nfs/dbraw/zinc/04/90/33/1385049033.db2.gz IRHAYGIPXGNMNH-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H](c1cccc2ccccc21)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317443197 1385144723 /nfs/dbraw/zinc/14/47/23/1385144723.db2.gz NASGUYNYBATUOA-OXJNMPFZSA-N 2 0 339.483 3.043 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001174882604 1385164775 /nfs/dbraw/zinc/16/47/75/1385164775.db2.gz UPMGDIQVZVJGRI-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906724 1385168658 /nfs/dbraw/zinc/16/86/58/1385168658.db2.gz WWMBDNJCDBKXIL-CNGCZUSVSA-N 2 0 337.552 3.338 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001174950537 1385173873 /nfs/dbraw/zinc/17/38/73/1385173873.db2.gz WYPNUUKMANMBLH-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001175048957 1385186219 /nfs/dbraw/zinc/18/62/19/1385186219.db2.gz MTWRGIFNAJEFIL-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP C[C@@H](CCCC[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001175049676 1385186547 /nfs/dbraw/zinc/18/65/47/1385186547.db2.gz WXJIEOOSBUKMMV-HOTGVXAUSA-N 2 0 347.494 3.028 20 0 EGADRP CCOc1ccc(C)cc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001175122481 1385198250 /nfs/dbraw/zinc/19/82/50/1385198250.db2.gz ANEBMBBZIHQIKD-UHFFFAOYSA-N 2 0 326.444 3.284 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)[NH+](CC)CC ZINC001175218535 1385223566 /nfs/dbraw/zinc/22/35/66/1385223566.db2.gz SPVVAKZCTALDHL-QZTJIDSGSA-N 2 0 327.557 3.418 20 0 EGADRP CCOc1cccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1F ZINC001175236161 1385227095 /nfs/dbraw/zinc/22/70/95/1385227095.db2.gz KKLAJJBRMWMRKJ-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263788 1385234337 /nfs/dbraw/zinc/23/43/37/1385234337.db2.gz RINFPEMZFSKPNO-MSOLQXFVSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295524 1385242323 /nfs/dbraw/zinc/24/23/23/1385242323.db2.gz GLRORZVRHWMMRO-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCc1ccccc1)[NH+](C)C ZINC001175303451 1385245158 /nfs/dbraw/zinc/24/51/58/1385245158.db2.gz FKNNPVOXJVMSSB-QUCCMNQESA-N 2 0 347.547 3.224 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001175318009 1385250625 /nfs/dbraw/zinc/25/06/25/1385250625.db2.gz UEVAOOYLIQELGL-AEFFLSMTSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001175574528 1385336502 /nfs/dbraw/zinc/33/65/02/1385336502.db2.gz XOFZPBUKCMJZHA-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581917 1385339971 /nfs/dbraw/zinc/33/99/71/1385339971.db2.gz VOMYDERTMZNNAS-KRWDZBQOSA-N 2 0 343.531 3.123 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC001335970470 1388979574 /nfs/dbraw/zinc/97/95/74/1388979574.db2.gz JHGJWUSQFCEOJH-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001175787277 1385405743 /nfs/dbraw/zinc/40/57/43/1385405743.db2.gz TVNBVFWNBPKJIU-ROUUACIJSA-N 2 0 327.557 3.275 20 0 EGADRP C[NH+](C)CCCNC(=O)c1ccc(Nc2cc[nH+]c(C3CC3)c2)cc1 ZINC001175822719 1385414165 /nfs/dbraw/zinc/41/41/65/1385414165.db2.gz DFVHULHHXRXOSX-UHFFFAOYSA-N 2 0 338.455 3.384 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175968200 1385448214 /nfs/dbraw/zinc/44/82/14/1385448214.db2.gz VGWXSCFYCVSPHG-SFHVURJKSA-N 2 0 339.568 3.418 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001317769724 1385460104 /nfs/dbraw/zinc/46/01/04/1385460104.db2.gz JCEZTNDCFYQMHD-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176022669 1385463413 /nfs/dbraw/zinc/46/34/13/1385463413.db2.gz CKBXAGUTGHZATL-XLIONFOSSA-N 2 0 345.531 3.280 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176023012 1385463683 /nfs/dbraw/zinc/46/36/83/1385463683.db2.gz FOCMFRKZIKIOKS-GOSISDBHSA-N 2 0 337.552 3.483 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001176023895 1385464113 /nfs/dbraw/zinc/46/41/13/1385464113.db2.gz LIIGIBUWVUSIQU-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176111055 1385486227 /nfs/dbraw/zinc/48/62/27/1385486227.db2.gz FMJPFXGKDCNDRL-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164340 1385499876 /nfs/dbraw/zinc/49/98/76/1385499876.db2.gz ARXNNZDLXXGMOO-IRXDYDNUSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164679 1385500236 /nfs/dbraw/zinc/50/02/36/1385500236.db2.gz DCSPLGQKNUMWKE-ZWKOTPCHSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165787 1385501284 /nfs/dbraw/zinc/50/12/84/1385501284.db2.gz OSABHXDQEIBIBJ-IEBWSBKVSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176193072 1385508075 /nfs/dbraw/zinc/50/80/75/1385508075.db2.gz RMMTUWJGKIVBCR-MSOLQXFVSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCCC[NH+](C)C ZINC001176230860 1385520902 /nfs/dbraw/zinc/52/09/02/1385520902.db2.gz NXJOZYCUKOXWRI-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231811 1385522560 /nfs/dbraw/zinc/52/25/60/1385522560.db2.gz XIAMZVDMASBXBE-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176269240 1385532540 /nfs/dbraw/zinc/53/25/40/1385532540.db2.gz SLEGKGQBACKSGZ-GOSISDBHSA-N 2 0 337.552 3.483 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001176269759 1385533586 /nfs/dbraw/zinc/53/35/86/1385533586.db2.gz XVEVLOISTMSWQZ-KRWDZBQOSA-N 2 0 331.520 3.123 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001176280365 1385537815 /nfs/dbraw/zinc/53/78/15/1385537815.db2.gz ZFUXSURMMLKRKN-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176285771 1385539438 /nfs/dbraw/zinc/53/94/38/1385539438.db2.gz RBYLWQYRRJZGEF-QZTJIDSGSA-N 2 0 333.520 3.354 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC001317935981 1385575708 /nfs/dbraw/zinc/57/57/08/1385575708.db2.gz DNOJOSGJWZPDET-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001317973486 1385594114 /nfs/dbraw/zinc/59/41/14/1385594114.db2.gz XXFOWJVVMVIXBZ-HKUYNNGSSA-N 2 0 343.515 3.121 20 0 EGADRP c1nn(CC[NH+]2CCCC2)cc1Nc1cc[nH+]cc1Oc1ccccc1 ZINC001176554499 1385622412 /nfs/dbraw/zinc/62/24/12/1385622412.db2.gz RSWHIOIFLHLTGV-UHFFFAOYSA-N 2 0 349.438 3.332 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176583925 1385632063 /nfs/dbraw/zinc/63/20/63/1385632063.db2.gz ZTKYIDHPPOQPJT-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H]([NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001176591127 1385634805 /nfs/dbraw/zinc/63/48/05/1385634805.db2.gz HSGIWSGIASALBS-UYAOXDASSA-N 2 0 345.531 3.498 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300970 1385644865 /nfs/dbraw/zinc/64/48/65/1385644865.db2.gz IJBSZAGMALDQBF-WLMAVBAVSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176727857 1385673276 /nfs/dbraw/zinc/67/32/76/1385673276.db2.gz BMWBHLMGCRAWDQ-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001176747189 1385681136 /nfs/dbraw/zinc/68/11/36/1385681136.db2.gz UXULSYWJFNHNNL-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754389 1385684870 /nfs/dbraw/zinc/68/48/70/1385684870.db2.gz UHUPXAHULWBDKG-CNZFZVQHSA-N 2 0 325.541 3.338 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930877 1385746633 /nfs/dbraw/zinc/74/66/33/1385746633.db2.gz SHZMPSHBQKLIKJ-GOSISDBHSA-N 2 0 331.504 3.028 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001176991458 1385766294 /nfs/dbraw/zinc/76/62/94/1385766294.db2.gz BTXHYKONNWIJLK-WOJBJXKFSA-N 2 0 345.531 3.354 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]CCC(C)(C)C)o1 ZINC001177317900 1385912114 /nfs/dbraw/zinc/91/21/14/1385912114.db2.gz LQKQLQAKXONTCF-UHFFFAOYSA-N 2 0 337.508 3.267 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001177342382 1385921604 /nfs/dbraw/zinc/92/16/04/1385921604.db2.gz LXPXXAPMPTWKMV-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001177466943 1385967615 /nfs/dbraw/zinc/96/76/15/1385967615.db2.gz LYJXIPDMWQBFIV-FQEVSTJZSA-N 2 0 349.563 3.293 20 0 EGADRP COc1cc[nH+]c(N2CCN(c3c(C)c[nH+]c4ccccc43)CC2)c1 ZINC001319127688 1385969276 /nfs/dbraw/zinc/96/92/76/1385969276.db2.gz NNPBOFJTEALQFQ-UHFFFAOYSA-N 2 0 334.423 3.273 20 0 EGADRP CC(C)Cc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC001177784310 1386044048 /nfs/dbraw/zinc/04/40/48/1386044048.db2.gz MPNVZUCADYEBIH-HXUWFJFHSA-N 2 0 329.532 3.143 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CC3CCCCCC3)C2)CC1 ZINC001319407249 1386107256 /nfs/dbraw/zinc/10/72/56/1386107256.db2.gz DKZHJDVXKXFEJQ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001178045142 1386114655 /nfs/dbraw/zinc/11/46/55/1386114655.db2.gz DUPDLOVCVUHZOI-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001178045344 1386115016 /nfs/dbraw/zinc/11/50/16/1386115016.db2.gz JBBQKUAHQLYFAL-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001178045948 1386115807 /nfs/dbraw/zinc/11/58/07/1386115807.db2.gz ZTTCTHSDIQRHJT-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001178153035 1386144255 /nfs/dbraw/zinc/14/42/55/1386144255.db2.gz YMKGXNKXKZEDMZ-HKUYNNGSSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC001178248592 1386171645 /nfs/dbraw/zinc/17/16/45/1386171645.db2.gz DGKIFEWUBHQDIF-MSOLQXFVSA-N 2 0 331.504 3.361 20 0 EGADRP CCOc1cccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001178304355 1386184338 /nfs/dbraw/zinc/18/43/38/1386184338.db2.gz DGBKZJXZWXFYAO-UHFFFAOYSA-N 2 0 325.456 3.487 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001178518711 1386239989 /nfs/dbraw/zinc/23/99/89/1386239989.db2.gz WZEXYIBQXZIRFK-UYAOXDASSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)c1sccc1C[NH+](C)C ZINC001178617485 1386263514 /nfs/dbraw/zinc/26/35/14/1386263514.db2.gz IZRILWYBQXZKSY-UHFFFAOYSA-N 2 0 339.549 3.346 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178689496 1386278574 /nfs/dbraw/zinc/27/85/74/1386278574.db2.gz ZKJFLANDLYODHS-LJQANCHMSA-N 2 0 339.568 3.421 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178833418 1386322346 /nfs/dbraw/zinc/32/23/46/1386322346.db2.gz VHLBFCAHAPUKEJ-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001178908349 1386345589 /nfs/dbraw/zinc/34/55/89/1386345589.db2.gz NMUITUWWFRKWRA-UHFFFAOYSA-N 2 0 330.476 3.323 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212588 1386425469 /nfs/dbraw/zinc/42/54/69/1386425469.db2.gz QEGQFNFGEYZXLK-WAYWQWQTSA-N 2 0 337.552 3.483 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001179358097 1386462248 /nfs/dbraw/zinc/46/22/48/1386462248.db2.gz VGOCONVREFMXCC-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179383075 1386468416 /nfs/dbraw/zinc/46/84/16/1386468416.db2.gz JQLVTIXAXUHEPD-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCCC(C)C)[C@@H]2C)C1 ZINC001179388960 1386472426 /nfs/dbraw/zinc/47/24/26/1386472426.db2.gz VDFQERPBKOGEPV-FHWLQOOXSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)c1occc1C[NH+](C)C ZINC001179395169 1386473419 /nfs/dbraw/zinc/47/34/19/1386473419.db2.gz FAZVZZZGQNQAGO-INIZCTEOSA-N 2 0 337.508 3.267 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179402788 1386475728 /nfs/dbraw/zinc/47/57/28/1386475728.db2.gz CPYYOYQUTYILKO-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001179439117 1386483374 /nfs/dbraw/zinc/48/33/74/1386483374.db2.gz GIPYSOJLQWDTGH-HBFSDRIKSA-N 2 0 345.531 3.285 20 0 EGADRP C[N@H+](CC(=O)N[C@](C)(C[NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001698648961 1406298224 /nfs/dbraw/zinc/29/82/24/1406298224.db2.gz JUBWMAXBNZHGFD-OAQYLSRUSA-N 2 0 345.531 3.039 20 0 EGADRP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001320072333 1386491787 /nfs/dbraw/zinc/49/17/87/1386491787.db2.gz HZVACPCTJSVQOS-RHSMWYFYSA-N 2 0 339.911 3.131 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179516408 1386503370 /nfs/dbraw/zinc/50/33/70/1386503370.db2.gz AZOIGLACMRTQHS-OKZBNKHCSA-N 2 0 325.541 3.266 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179525485 1386506318 /nfs/dbraw/zinc/50/63/18/1386506318.db2.gz LKACODJADHWHJM-UQHJYHGZSA-N 2 0 337.552 3.432 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001179549482 1386512227 /nfs/dbraw/zinc/51/22/27/1386512227.db2.gz AJZPUBCBNNKRAH-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580876 1386522295 /nfs/dbraw/zinc/52/22/95/1386522295.db2.gz UHKOTRDBYWYGRO-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001179585088 1386523190 /nfs/dbraw/zinc/52/31/90/1386523190.db2.gz CFJGHYYUWXWJAS-SFHVURJKSA-N 2 0 335.536 3.095 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCCCCC[NH2+]Cc2ccccc2)CC1 ZINC001179749460 1386571400 /nfs/dbraw/zinc/57/14/00/1386571400.db2.gz FNJKPXYXRCPSJE-UHFFFAOYSA-N 2 0 345.531 3.185 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001179776765 1386581492 /nfs/dbraw/zinc/58/14/92/1386581492.db2.gz IKQQIUSHLZXMOM-KRWDZBQOSA-N 2 0 336.524 3.435 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C(C)C ZINC001179842904 1386604280 /nfs/dbraw/zinc/60/42/80/1386604280.db2.gz FMBZLTZHARTGDW-FMQWLBJXSA-N 2 0 345.959 3.372 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCCCCC[NH2+]CC1CCC1)C(C)C ZINC001179843176 1386605229 /nfs/dbraw/zinc/60/52/29/1386605229.db2.gz ZAFAVKJTDOLYEE-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179965128 1386651023 /nfs/dbraw/zinc/65/10/23/1386651023.db2.gz SSEXMEYQGIPRAJ-UHFFFAOYSA-N 2 0 337.552 3.339 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@@H]1C ZINC001179976217 1386655188 /nfs/dbraw/zinc/65/51/88/1386655188.db2.gz KAJLLCIWFLWATO-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179983242 1386658405 /nfs/dbraw/zinc/65/84/05/1386658405.db2.gz QMONABDJEOMRSI-HBFSDRIKSA-N 2 0 345.531 3.285 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H]1C ZINC001179987468 1386658846 /nfs/dbraw/zinc/65/88/46/1386658846.db2.gz YCKKXACXFOPLTP-KPHVFVAGSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1csc(C)c1 ZINC001179989208 1386660094 /nfs/dbraw/zinc/66/00/94/1386660094.db2.gz URBLJVLJABJXPO-UHFFFAOYSA-N 2 0 339.549 3.165 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(CC)cc1 ZINC001180123836 1386704884 /nfs/dbraw/zinc/70/48/84/1386704884.db2.gz LFBKVURDSIJVNO-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180204432 1386732162 /nfs/dbraw/zinc/73/21/62/1386732162.db2.gz RKWPOGOOVXKPNU-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274727 1386752043 /nfs/dbraw/zinc/75/20/43/1386752043.db2.gz TVHZBPYWTTYKQN-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369737 1386777169 /nfs/dbraw/zinc/77/71/69/1386777169.db2.gz UXNJWJWFWWPUDU-SFHVURJKSA-N 2 0 327.557 3.275 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC001321150576 1386822408 /nfs/dbraw/zinc/82/24/08/1386822408.db2.gz HDRJQHLVYWBTNT-IBGZPJMESA-N 2 0 336.483 3.001 20 0 EGADRP CC[NH+]1CCC(C[N@H+](CCCc2ccccc2)CCN(C)C)CC1 ZINC001181489146 1387003620 /nfs/dbraw/zinc/00/36/20/1387003620.db2.gz XLXGNQZRHWLBGM-UHFFFAOYSA-N 2 0 331.548 3.215 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001322035559 1387036050 /nfs/dbraw/zinc/03/60/50/1387036050.db2.gz YGUMQYCSYSPJCU-JKSUJKDBSA-N 2 0 349.494 3.101 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001181727688 1387046280 /nfs/dbraw/zinc/04/62/80/1387046280.db2.gz BQRHNIKZSDJSQG-YFVAEKQCSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001322089431 1387049966 /nfs/dbraw/zinc/04/99/66/1387049966.db2.gz SLJPYWCULYMOJG-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001181800953 1387056975 /nfs/dbraw/zinc/05/69/75/1387056975.db2.gz HPRSBYDXPJEHPG-WSTZPKSXSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCCC1 ZINC001181903960 1387073409 /nfs/dbraw/zinc/07/34/09/1387073409.db2.gz NBDBDQRSOYTZTH-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001322306283 1387151106 /nfs/dbraw/zinc/15/11/06/1387151106.db2.gz JABKXHDGQZNVOD-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)NC(C)(C)CC[NH+](C)C)C1 ZINC001182342821 1387153441 /nfs/dbraw/zinc/15/34/41/1387153441.db2.gz FUPMEYIMUJUZHK-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001322338957 1387163343 /nfs/dbraw/zinc/16/33/43/1387163343.db2.gz PKQVUAXEGDTLJC-ICSRJNTNSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2ccccc2C)CC1)[NH+](C)C ZINC001698702065 1406344479 /nfs/dbraw/zinc/34/44/79/1406344479.db2.gz XWTIUAPUXCDRAN-HXUWFJFHSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001322393450 1387178096 /nfs/dbraw/zinc/17/80/96/1387178096.db2.gz XJLZVXGRQINJLJ-CADBVGFASA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589526 1387192682 /nfs/dbraw/zinc/19/26/82/1387192682.db2.gz HEQHMOJTPDIIBJ-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629873 1387198790 /nfs/dbraw/zinc/19/87/90/1387198790.db2.gz MWISGXSGYGJYAW-IAWJQODMSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336739984 1389152069 /nfs/dbraw/zinc/15/20/69/1389152069.db2.gz SAKGIMZOCAKHCY-BBRMVZONSA-N 2 0 330.394 3.059 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001329591580 1389170897 /nfs/dbraw/zinc/17/08/97/1389170897.db2.gz CKCKINPJUIUQHE-UZLBHIALSA-N 2 0 341.499 3.117 20 0 EGADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001331022812 1389599862 /nfs/dbraw/zinc/59/98/62/1389599862.db2.gz QGVLFYNAQCPAAH-OAHLLOKOSA-N 2 0 343.393 3.238 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001331818935 1389878010 /nfs/dbraw/zinc/87/80/10/1389878010.db2.gz ACFVDMIFWZUPCH-YZGWKJHDSA-N 2 0 343.515 3.192 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001332015447 1389946590 /nfs/dbraw/zinc/94/65/90/1389946590.db2.gz NHGBTEXWUDKRQE-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1CCCC(C)(C)C ZINC001332185860 1390029312 /nfs/dbraw/zinc/02/93/12/1390029312.db2.gz RMBQFRKFPVTTDW-ROUUACIJSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001332220139 1390051964 /nfs/dbraw/zinc/05/19/64/1390051964.db2.gz SSTWPABJJPQYBT-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001332220344 1390052125 /nfs/dbraw/zinc/05/21/25/1390052125.db2.gz SSTWPABJJPQYBT-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001332292659 1390078211 /nfs/dbraw/zinc/07/82/11/1390078211.db2.gz NFBSYPLLUKZHGT-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC001332555233 1390134195 /nfs/dbraw/zinc/13/41/95/1390134195.db2.gz HAUPWSXRAJMBTH-HOCLYGCPSA-N 2 0 336.549 3.391 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC001340774248 1390364351 /nfs/dbraw/zinc/36/43/51/1390364351.db2.gz MELHIFJQGCPPMU-FUHWJXTLSA-N 2 0 325.541 3.158 20 0 EGADRP C[C@@H]1CCCN(Cc2csc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629116 1390511942 /nfs/dbraw/zinc/51/19/42/1390511942.db2.gz AYCWKUOYHFXJTC-TZMCWYRMSA-N 2 0 338.521 3.077 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001334723476 1390574851 /nfs/dbraw/zinc/57/48/51/1390574851.db2.gz DYDJNFLTJHMZFU-ZIFCJYIRSA-N 2 0 342.462 3.309 20 0 EGADRP Cc1c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)ccc2c[nH+]cn21 ZINC001334945595 1390624715 /nfs/dbraw/zinc/62/47/15/1390624715.db2.gz WBNWJTQNRQRNFI-UHFFFAOYSA-N 2 0 340.471 3.027 20 0 EGADRP c1ccc(C2CCC(C[NH2+]C[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1 ZINC001343259933 1390703074 /nfs/dbraw/zinc/70/30/74/1390703074.db2.gz AHVIFCRFQPGDSO-HXJFWZBSSA-N 2 0 328.500 3.413 20 0 EGADRP NC1(C[NH2+]Cc2ccc3c(c2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001345103781 1390837660 /nfs/dbraw/zinc/83/76/60/1390837660.db2.gz INQLKZPTPRCKSQ-UHFFFAOYSA-N 2 0 349.522 3.258 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1Cl)N1CCCC2(CC[NH2+]CC2)C1 ZINC001346018617 1390901237 /nfs/dbraw/zinc/90/12/37/1390901237.db2.gz WKJQQIUBORINKT-CQSZACIVSA-N 2 0 335.879 3.133 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC001346204490 1390915148 /nfs/dbraw/zinc/91/51/48/1390915148.db2.gz UCSADLLJKNZRSK-FQEVSTJZSA-N 2 0 330.447 3.489 20 0 EGADRP C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC001348765798 1391264227 /nfs/dbraw/zinc/26/42/27/1391264227.db2.gz KTEGGNLCIZETOL-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)C1CCCCC1)CC2 ZINC001698808453 1406493187 /nfs/dbraw/zinc/49/31/87/1406493187.db2.gz JUCFMEPZILTNMD-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@@H]2C1 ZINC001352113157 1391760961 /nfs/dbraw/zinc/76/09/61/1391760961.db2.gz QAOGMNMSKOFNBU-GRYCIOLGSA-N 2 0 333.423 3.324 20 0 EGADRP Cn1c2ccccc2n(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001352759876 1391843536 /nfs/dbraw/zinc/84/35/36/1391843536.db2.gz HJCLLSWIGAYHIK-ARFHVFGLSA-N 2 0 344.528 3.329 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[NH2+]CCC12CCC2)c1ccsc1 ZINC001353481239 1392020664 /nfs/dbraw/zinc/02/06/64/1392020664.db2.gz CLIJIGOBSHKSHL-SJORKVTESA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC001353533835 1392034174 /nfs/dbraw/zinc/03/41/74/1392034174.db2.gz AVVKWIYXUFQJAJ-MAUKXSAKSA-N 2 0 331.504 3.092 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479300078 1392208056 /nfs/dbraw/zinc/20/80/56/1392208056.db2.gz MWJKHBHSXIDDLA-OKZBNKHCSA-N 2 0 343.515 3.025 20 0 EGADRP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001479826023 1392414112 /nfs/dbraw/zinc/41/41/12/1392414112.db2.gz LTKIEJBPOVGTMS-KSSFIOAISA-N 2 0 328.460 3.026 20 0 EGADRP Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001480325658 1392686137 /nfs/dbraw/zinc/68/61/37/1392686137.db2.gz XYSXZSKVRXMLKL-VQTJNVASSA-N 2 0 345.531 3.052 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001480330833 1392689847 /nfs/dbraw/zinc/68/98/47/1392689847.db2.gz JNASZIZHKYZVNH-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(CC)c1 ZINC001480333690 1392692491 /nfs/dbraw/zinc/69/24/91/1392692491.db2.gz VEARWWCERQPOBG-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1c(C(=O)NC[C@@H](C)[NH2+]CC2CCCCCC2)ccc2c[nH+]cn21 ZINC001480493326 1392769228 /nfs/dbraw/zinc/76/92/28/1392769228.db2.gz UPKZLTQPYGNPNP-OAHLLOKOSA-N 2 0 342.487 3.321 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001480740237 1392905769 /nfs/dbraw/zinc/90/57/69/1392905769.db2.gz XARGVAAVNJNCPU-QUCCMNQESA-N 2 0 345.531 3.321 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001480771195 1392923871 /nfs/dbraw/zinc/92/38/71/1392923871.db2.gz GLFYNSMVNIVRCF-ICSRJNTNSA-N 2 0 347.547 3.182 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001481181633 1393143285 /nfs/dbraw/zinc/14/32/85/1393143285.db2.gz CKTMDCHOYKJFLP-XLIONFOSSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481438215 1394293165 /nfs/dbraw/zinc/29/31/65/1394293165.db2.gz BZIILJOPHOKYAB-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCCC2)CC1 ZINC001491231479 1394486017 /nfs/dbraw/zinc/48/60/17/1394486017.db2.gz ZNAXGPMXDINVEK-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481748661 1394493124 /nfs/dbraw/zinc/49/31/24/1394493124.db2.gz JRJXTCZQEODUFI-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001491269969 1394498502 /nfs/dbraw/zinc/49/85/02/1394498502.db2.gz TVPGSHNCIFEXNE-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC001491273833 1394500097 /nfs/dbraw/zinc/50/00/97/1394500097.db2.gz MNSFTMVNFMCMPO-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](CCC1CC1)CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001698956179 1406704839 /nfs/dbraw/zinc/70/48/39/1406704839.db2.gz OLBWRGNAWXEKEU-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001482071701 1394734292 /nfs/dbraw/zinc/73/42/92/1394734292.db2.gz JXQGVCGSLOXGRI-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001482244226 1394840586 /nfs/dbraw/zinc/84/05/86/1394840586.db2.gz ZEEVFRBXSZCWPV-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482381587 1394941570 /nfs/dbraw/zinc/94/15/70/1394941570.db2.gz XRRKPAQARNSACB-UYAOXDASSA-N 2 0 345.531 3.018 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001483958118 1395162830 /nfs/dbraw/zinc/16/28/30/1395162830.db2.gz FYDNRMDQVFFIIW-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001484549369 1395430844 /nfs/dbraw/zinc/43/08/44/1395430844.db2.gz JXXMZBPVWOLYFP-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1CC(C)C1 ZINC001484760997 1395513402 /nfs/dbraw/zinc/51/34/02/1395513402.db2.gz ORNVMAVPQRGSGO-CTWPCTMYSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001485040599 1395647303 /nfs/dbraw/zinc/64/73/03/1395647303.db2.gz PEFGSWCRDNIFOG-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001485264271 1395749016 /nfs/dbraw/zinc/74/90/16/1395749016.db2.gz UTNMFYUEWWUVRM-MJGOQNOKSA-N 2 0 347.547 3.470 20 0 EGADRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001485264269 1395749096 /nfs/dbraw/zinc/74/90/96/1395749096.db2.gz UTNMFYUEWWUVRM-IEBWSBKVSA-N 2 0 347.547 3.470 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001485480786 1395961886 /nfs/dbraw/zinc/96/18/86/1395961886.db2.gz XYOJSYAIIKMVEP-OALUTQOASA-N 2 0 339.568 3.370 20 0 EGADRP C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCCCC1 ZINC001485934537 1396170375 /nfs/dbraw/zinc/17/03/75/1396170375.db2.gz JNXIPDIZNXNIFL-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2CCCC(C)(C)C)CC1 ZINC001493139767 1396338170 /nfs/dbraw/zinc/33/81/70/1396338170.db2.gz LIVSCNSPGVEHCQ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156048 1396388018 /nfs/dbraw/zinc/38/80/18/1396388018.db2.gz FCLWOCPLLMEALX-IRXDYDNUSA-N 2 0 349.494 3.009 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001496083696 1396598300 /nfs/dbraw/zinc/59/83/00/1396598300.db2.gz WGBQEQZGONCWTD-SFHVURJKSA-N 2 0 345.531 3.033 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001496145456 1396611344 /nfs/dbraw/zinc/61/13/44/1396611344.db2.gz PVKBPCBHBQDJTN-QAPCUYQASA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498488803 1397033220 /nfs/dbraw/zinc/03/32/20/1397033220.db2.gz JJAGSQSNQBORCA-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498488805 1397033689 /nfs/dbraw/zinc/03/36/89/1397033689.db2.gz JJAGSQSNQBORCA-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001690289285 1404449781 /nfs/dbraw/zinc/44/97/81/1404449781.db2.gz ANXFXJVGCQBSLF-VAMGGRTRSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690292370 1404452455 /nfs/dbraw/zinc/45/24/55/1404452455.db2.gz USLPKSDIYKGAKK-DJIMGWMZSA-N 2 0 346.519 3.042 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001690301759 1404459922 /nfs/dbraw/zinc/45/99/22/1404459922.db2.gz LUCXNDJJIWGKQS-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1)CC(C)(C)C ZINC001690455309 1404583041 /nfs/dbraw/zinc/58/30/41/1404583041.db2.gz RZPQCXABNONLLK-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001690490812 1404604236 /nfs/dbraw/zinc/60/42/36/1404604236.db2.gz FKCDEFDFKAZCSM-RTBURBONSA-N 2 0 335.536 3.118 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccccc2CC)CC1 ZINC001690544139 1404628293 /nfs/dbraw/zinc/62/82/93/1404628293.db2.gz AOTRIJHRMBCCRO-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001690575134 1404637052 /nfs/dbraw/zinc/63/70/52/1404637052.db2.gz OIWVVBWCNWZSSR-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001690635519 1404667489 /nfs/dbraw/zinc/66/74/89/1404667489.db2.gz PLUWOSXNAUPWED-QZTJIDSGSA-N 2 0 345.531 3.271 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2cccc(CC)c2)C1 ZINC001690824281 1404760858 /nfs/dbraw/zinc/76/08/58/1404760858.db2.gz AAEOIKZBCNFEOO-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001690825223 1404763517 /nfs/dbraw/zinc/76/35/17/1404763517.db2.gz UQFAWWSXMQYPNR-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001690942006 1404848110 /nfs/dbraw/zinc/84/81/10/1404848110.db2.gz PTJWJDXRYQIMBB-RTBURBONSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001691102888 1405042755 /nfs/dbraw/zinc/04/27/55/1405042755.db2.gz QTFXDGDPPZFVEP-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691146134 1405079798 /nfs/dbraw/zinc/07/97/98/1405079798.db2.gz OAONKZZQFHKGKH-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]([NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001725783843 1426468962 /nfs/dbraw/zinc/46/89/62/1426468962.db2.gz LWUVACITSIGSAT-CTWPCTMYSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001691236892 1405177043 /nfs/dbraw/zinc/17/70/43/1405177043.db2.gz OCHJTSSUCCKXHI-SFHVURJKSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001691538610 1405330269 /nfs/dbraw/zinc/33/02/69/1405330269.db2.gz YSODWZNWBLNFNI-INIZCTEOSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1C[NH+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001692352051 1405969224 /nfs/dbraw/zinc/96/92/24/1405969224.db2.gz KVNUDASCOJDSPJ-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001692384522 1405989640 /nfs/dbraw/zinc/98/96/40/1405989640.db2.gz QBZQIIZXAHCZMO-UFYCRDLUSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001698577589 1406187448 /nfs/dbraw/zinc/18/74/48/1406187448.db2.gz QMUYHIUSVPFQAV-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001698585946 1406201595 /nfs/dbraw/zinc/20/15/95/1406201595.db2.gz NTSZVSAMXCCGND-UXHICEINSA-N 2 0 345.531 3.066 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH+](C)Cc2ccccc2C)CC1 ZINC001732087434 1428348872 /nfs/dbraw/zinc/34/88/72/1428348872.db2.gz ZBOLRMFVCFPXPX-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001732400554 1428566669 /nfs/dbraw/zinc/56/66/69/1428566669.db2.gz SRAXUYWBZJLGOT-XFFZJAGNSA-N 2 0 341.927 3.024 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001699376365 1412683350 /nfs/dbraw/zinc/68/33/50/1412683350.db2.gz ILSYYFMBCHWUCH-SJORKVTESA-N 2 0 341.499 3.337 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CC2)cs1 ZINC001699650749 1413033582 /nfs/dbraw/zinc/03/35/82/1413033582.db2.gz FFNOXUNLXBZWMW-UHFFFAOYSA-N 2 0 349.544 3.059 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001699684690 1413081338 /nfs/dbraw/zinc/08/13/38/1413081338.db2.gz YSYRTDMWCGLBKY-RLLQIKCJSA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001699946831 1413391040 /nfs/dbraw/zinc/39/10/40/1413391040.db2.gz APLCOGCVGYKOTL-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001699994532 1413441050 /nfs/dbraw/zinc/44/10/50/1413441050.db2.gz YZMFUGUKPZDNAE-KDURUIRLSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001700323788 1413792086 /nfs/dbraw/zinc/79/20/86/1413792086.db2.gz MJURHXYLSFFWJS-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001700481229 1414118377 /nfs/dbraw/zinc/11/83/77/1414118377.db2.gz PHNHIYFXXOLPAV-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1C/C=C\Cl)CC(C)(C)C ZINC001700524892 1414185235 /nfs/dbraw/zinc/18/52/35/1414185235.db2.gz AOHUBIIIAPNNFB-SIJIIQCFSA-N 2 0 343.943 3.078 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001700556132 1414226620 /nfs/dbraw/zinc/22/66/20/1414226620.db2.gz XSDWQUUDUXYHSX-BEFAXECRSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001700777034 1414457557 /nfs/dbraw/zinc/45/75/57/1414457557.db2.gz CINDPNWJYGEZSX-RBUKOAKNSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001732594556 1428825375 /nfs/dbraw/zinc/82/53/75/1428825375.db2.gz KREPXYIONFNAHC-UHFFFAOYSA-N 2 0 345.531 3.006 20 0 EGADRP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732594868 1428826726 /nfs/dbraw/zinc/82/67/26/1428826726.db2.gz LMQQZHXKDHIZAU-IBGZPJMESA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1)[NH+](C)C ZINC001733011200 1429130629 /nfs/dbraw/zinc/13/06/29/1429130629.db2.gz PKFMZZRTLVKICH-OXJNMPFZSA-N 2 0 341.499 3.020 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001733013301 1429132469 /nfs/dbraw/zinc/13/24/69/1429132469.db2.gz BBXIPISPAIUWSG-QFBILLFUSA-N 2 0 345.531 3.136 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001707088171 1417194665 /nfs/dbraw/zinc/19/46/65/1417194665.db2.gz FCBFQSWVQCGDBO-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCCCC1 ZINC001707450148 1417354543 /nfs/dbraw/zinc/35/45/43/1417354543.db2.gz ZMJABCKWNHVWFX-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](C[N@H+](C)CCCC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058528 1429203315 /nfs/dbraw/zinc/20/33/15/1429203315.db2.gz LJGQNLDWPWZBFF-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)[NH+](CC)CC ZINC001713168774 1417741906 /nfs/dbraw/zinc/74/19/06/1417741906.db2.gz VHGZMQKNZMHWEH-UTRMSSBJSA-N 2 0 349.494 3.244 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC2CCC2)CCC1 ZINC001713253105 1417846773 /nfs/dbraw/zinc/84/67/73/1417846773.db2.gz MZIKMYQBKYPBQE-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001713257305 1417859587 /nfs/dbraw/zinc/85/95/87/1417859587.db2.gz ZPSHLWYYKAKYAT-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001713271394 1417884178 /nfs/dbraw/zinc/88/41/78/1417884178.db2.gz IRMFCBUQUXSNIZ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001713322279 1417947041 /nfs/dbraw/zinc/94/70/41/1417947041.db2.gz JNUFZCXHQNIABN-GJZGRUSLSA-N 2 0 349.906 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001713361852 1417976465 /nfs/dbraw/zinc/97/64/65/1417976465.db2.gz MIFXPZNBXYNCSG-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713399535 1418019940 /nfs/dbraw/zinc/01/99/40/1418019940.db2.gz OQOALAGDTCSZFF-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CC1CCC1 ZINC001713546466 1418316324 /nfs/dbraw/zinc/31/63/24/1418316324.db2.gz MTSUTDNQBYUGOQ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[C@H](C)C1 ZINC001713711227 1418470802 /nfs/dbraw/zinc/47/08/02/1418470802.db2.gz DVAVVLARVKLIHJ-LWYYNNOASA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001713781412 1418597276 /nfs/dbraw/zinc/59/72/76/1418597276.db2.gz WTWBBSRRWZKMOZ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001713867925 1418664743 /nfs/dbraw/zinc/66/47/43/1418664743.db2.gz LIFIMXHTLBKLDZ-QFBILLFUSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccc(F)cc1 ZINC001713959951 1418741057 /nfs/dbraw/zinc/74/10/57/1418741057.db2.gz ZQQGQDUVNLQWGF-WBAXXEDZSA-N 2 0 349.494 3.101 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001714041636 1418831306 /nfs/dbraw/zinc/83/13/06/1418831306.db2.gz LJGKNUVBXOTOTG-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001714105542 1418904461 /nfs/dbraw/zinc/90/44/61/1418904461.db2.gz ACCXEGFKMLXXDM-FXAWDEMLSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001714556507 1419283843 /nfs/dbraw/zinc/28/38/43/1419283843.db2.gz QJPTWPIKDSIWLX-AZUAARDMSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714564870 1419292868 /nfs/dbraw/zinc/29/28/68/1419292868.db2.gz MZEAWQARHVOCOM-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1)CC(C)(C)C ZINC001715005237 1419735167 /nfs/dbraw/zinc/73/51/67/1419735167.db2.gz ZHZAKWTXEMQCAZ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001715045816 1419786254 /nfs/dbraw/zinc/78/62/54/1419786254.db2.gz LDQODWDFFVLDCK-ICSRJNTNSA-N 2 0 345.531 3.402 20 0 EGADRP CC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC[C@H]1C ZINC001715127116 1419873731 /nfs/dbraw/zinc/87/37/31/1419873731.db2.gz IGBFHSJTPLJPSK-XLIONFOSSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1)[NH+](CC)CC ZINC001715218528 1419952031 /nfs/dbraw/zinc/95/20/31/1419952031.db2.gz WSNLLGQOWNEPQM-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CC2CCC2)CCCC1)[NH+]1CCCCCC1 ZINC001715307844 1420017031 /nfs/dbraw/zinc/01/70/31/1420017031.db2.gz QMRWVKSEPBFTOA-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001715333968 1420038787 /nfs/dbraw/zinc/03/87/87/1420038787.db2.gz BDIPHTGSDHRYCM-PXNSSMCTSA-N 2 0 347.547 3.333 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001715391103 1420087723 /nfs/dbraw/zinc/08/77/23/1420087723.db2.gz UGAUSUYRJRZKOS-VQTJNVASSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)cs1 ZINC001715962852 1420428836 /nfs/dbraw/zinc/42/88/36/1420428836.db2.gz QINPLIMSNRQBCS-CQSZACIVSA-N 2 0 345.512 3.026 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)CC[N@H+](C)CC2CCCCCC2)CC1 ZINC001715978888 1420438306 /nfs/dbraw/zinc/43/83/06/1420438306.db2.gz XHXBUZYCHVFZSB-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001716514584 1420744523 /nfs/dbraw/zinc/74/45/23/1420744523.db2.gz NMSRINCTWOMXNL-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)CC2)CCCCC1 ZINC001717198756 1421165786 /nfs/dbraw/zinc/16/57/86/1421165786.db2.gz XSQYRUNFDVZEGW-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001733336230 1429521167 /nfs/dbraw/zinc/52/11/67/1429521167.db2.gz RRFANMORXBIKAJ-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001733336374 1429521707 /nfs/dbraw/zinc/52/17/07/1429521707.db2.gz TYCFQPBWXJSEEO-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001733360079 1429543594 /nfs/dbraw/zinc/54/35/94/1429543594.db2.gz NLVLYBPGPIHILM-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001733416498 1429620766 /nfs/dbraw/zinc/62/07/66/1429620766.db2.gz FLXXKYNLGYJPIW-HXUWFJFHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001733444053 1429652790 /nfs/dbraw/zinc/65/27/90/1429652790.db2.gz VZJJSLIXRAPFGH-WIYYLYMNSA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CC2)CCCCC1 ZINC001722941862 1424268463 /nfs/dbraw/zinc/26/84/63/1424268463.db2.gz BPDSKDKZPSPQTE-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(N[C@H](C[NH2+]CC1CCCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001723311577 1424344671 /nfs/dbraw/zinc/34/46/71/1424344671.db2.gz LGYZMXAFRBPMEN-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723483891 1424435987 /nfs/dbraw/zinc/43/59/87/1424435987.db2.gz KZDMLWPMWQUKPX-OALUTQOASA-N 2 0 343.515 3.123 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC001723967261 1424614105 /nfs/dbraw/zinc/61/41/05/1424614105.db2.gz ORLKBVGURWOFSC-IBGZPJMESA-N 2 0 345.531 3.034 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001724240648 1424751308 /nfs/dbraw/zinc/75/13/08/1424751308.db2.gz XIKLITOCUCHTCX-NQIIRXRSSA-N 2 0 345.531 3.226 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001724780367 1425145394 /nfs/dbraw/zinc/14/53/94/1425145394.db2.gz BYBWNMLNFHVUPM-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001724841392 1425190834 /nfs/dbraw/zinc/19/08/34/1425190834.db2.gz DUNIGHKPZSEKDV-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047321 1425477897 /nfs/dbraw/zinc/47/78/97/1425477897.db2.gz MGPIUGSSONGJRN-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C)cc1C ZINC001725054659 1425489606 /nfs/dbraw/zinc/48/96/06/1425489606.db2.gz YEENLTUMUFVBFI-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001725196797 1425751268 /nfs/dbraw/zinc/75/12/68/1425751268.db2.gz SGAGUSSJCFALJT-MSOLQXFVSA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[NH+]1CCC(N(CCC)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001731387029 1427333393 /nfs/dbraw/zinc/33/33/93/1427333393.db2.gz DPBZWOGMCSGKRH-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001731880075 1428150201 /nfs/dbraw/zinc/15/02/01/1428150201.db2.gz ATNNNOXDHYMDDU-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC[N@H+](CCCC(C)(C)C)C2CC2)CC1 ZINC001731882424 1428154036 /nfs/dbraw/zinc/15/40/36/1428154036.db2.gz LEZGEGUPVDINGM-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001733899305 1437717256 /nfs/dbraw/zinc/71/72/56/1437717256.db2.gz GWPBSJSPQCOOMD-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001733901019 1437719063 /nfs/dbraw/zinc/71/90/63/1437719063.db2.gz MJMUFUVGESPTDL-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001734332331 1438055575 /nfs/dbraw/zinc/05/55/75/1438055575.db2.gz SUALVANCZUJBCO-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001734351877 1438069532 /nfs/dbraw/zinc/06/95/32/1438069532.db2.gz IBTHECMUAXQGMU-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001734425084 1438091458 /nfs/dbraw/zinc/09/14/58/1438091458.db2.gz PXKSRDRVDKGUKA-PKOBYXMFSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H](C(=O)NCCC[N@H+](C)Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001752072598 1440138071 /nfs/dbraw/zinc/13/80/71/1440138071.db2.gz GBSQYWUCSDUPLV-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCCC(C)(C)C ZINC001752077397 1440138654 /nfs/dbraw/zinc/13/86/54/1440138654.db2.gz XELDKDBESOQKNG-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001752409865 1440174401 /nfs/dbraw/zinc/17/44/01/1440174401.db2.gz ARUWKFIWDSIQJQ-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC001752660285 1440198354 /nfs/dbraw/zinc/19/83/54/1440198354.db2.gz GDSSYZYOIWAKQG-CDHQVMDDSA-N 2 0 339.483 3.089 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001752686802 1440200033 /nfs/dbraw/zinc/20/00/33/1440200033.db2.gz BBMWHGDUCNEWPY-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752709153 1440203256 /nfs/dbraw/zinc/20/32/56/1440203256.db2.gz ZDECMHWDZDLTIZ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752789267 1440212985 /nfs/dbraw/zinc/21/29/85/1440212985.db2.gz BDUKLSNCYWRPEZ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752789262 1440213154 /nfs/dbraw/zinc/21/31/54/1440213154.db2.gz BDUKLSNCYWRPEZ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001752790122 1440213635 /nfs/dbraw/zinc/21/36/35/1440213635.db2.gz SFKOORVXXFJJHK-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001752819572 1440219759 /nfs/dbraw/zinc/21/97/59/1440219759.db2.gz YREODOLQMGAMAV-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC(C)(C)C)CC1 ZINC001752819851 1440219793 /nfs/dbraw/zinc/21/97/93/1440219793.db2.gz DLGVLUONLLGGHU-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001752828909 1440224753 /nfs/dbraw/zinc/22/47/53/1440224753.db2.gz KJZQICVOVAVLDB-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001752835199 1440227367 /nfs/dbraw/zinc/22/73/67/1440227367.db2.gz CEUJHBNNWXHKTG-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752840427 1440230203 /nfs/dbraw/zinc/23/02/03/1440230203.db2.gz JWWHMPLHSPOUPN-ROUUACIJSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001752852598 1440234034 /nfs/dbraw/zinc/23/40/34/1440234034.db2.gz LYASIYCWOMLIAB-CTWPCTMYSA-N 2 0 337.552 3.457 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001752891220 1440241099 /nfs/dbraw/zinc/24/10/99/1440241099.db2.gz GWRQELNKFDTNHM-MRXNPFEDSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001752902392 1440243253 /nfs/dbraw/zinc/24/32/53/1440243253.db2.gz ALGNWUXVEKUAFJ-AZUAARDMSA-N 2 0 345.531 3.161 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001752940533 1440250875 /nfs/dbraw/zinc/25/08/75/1440250875.db2.gz PYJALTMILYDCKO-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001752962384 1440253513 /nfs/dbraw/zinc/25/35/13/1440253513.db2.gz DJWDBONRKOCAOA-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCCCF)C1)[NH+]1CCCC1 ZINC001752973808 1440255571 /nfs/dbraw/zinc/25/55/71/1440255571.db2.gz MYMPHTOKMFDSQX-IAGOWNOFSA-N 2 0 341.515 3.018 20 0 EGADRP CC/C=C\CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001752991988 1440259698 /nfs/dbraw/zinc/25/96/98/1440259698.db2.gz BXLJTNUDULHTHB-MGBKSAOESA-N 2 0 335.536 3.140 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001753008808 1440266428 /nfs/dbraw/zinc/26/64/28/1440266428.db2.gz PGAMHBDLOTVXMR-QZTJIDSGSA-N 2 0 343.515 3.169 20 0 EGADRP C[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001753036351 1440274909 /nfs/dbraw/zinc/27/49/09/1440274909.db2.gz WXNAVOWSUBZABW-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001753038692 1440275576 /nfs/dbraw/zinc/27/55/76/1440275576.db2.gz WMOLJFCPVXADGU-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001753055226 1440281110 /nfs/dbraw/zinc/28/11/10/1440281110.db2.gz LTBLDZBWSPABFW-WOJBJXKFSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CC1CCCC1 ZINC001753083067 1440295018 /nfs/dbraw/zinc/29/50/18/1440295018.db2.gz UFLFDCZXBDAURH-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001753112270 1440309005 /nfs/dbraw/zinc/30/90/05/1440309005.db2.gz ZLTSFEYJMYCAKN-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cc(C)ccc1C ZINC001753115586 1440311153 /nfs/dbraw/zinc/31/11/53/1440311153.db2.gz FJRIEACZFMBTGI-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH+](CC1CCC1)C1CC1 ZINC001753155405 1440330687 /nfs/dbraw/zinc/33/06/87/1440330687.db2.gz LILHJSAJELYVPC-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001753273417 1440345832 /nfs/dbraw/zinc/34/58/32/1440345832.db2.gz BOTYDRWWBBYOST-OYCQEXPWSA-N 2 0 349.563 3.290 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001753279885 1440347108 /nfs/dbraw/zinc/34/71/08/1440347108.db2.gz AIPIGIXDCDPBQT-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001753280013 1440347187 /nfs/dbraw/zinc/34/71/87/1440347187.db2.gz BRKDOCARXZJWGD-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ccccc1 ZINC001753295543 1440352244 /nfs/dbraw/zinc/35/22/44/1440352244.db2.gz VYCBPZKHDJECHB-RTBURBONSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC001753298463 1440353230 /nfs/dbraw/zinc/35/32/30/1440353230.db2.gz IDHPPOBKXSOJGD-BHIYHBOVSA-N 2 0 345.531 3.210 20 0 EGADRP CC1CC[NH+](CC(=O)NCC[C@@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001753340053 1440374700 /nfs/dbraw/zinc/37/47/00/1440374700.db2.gz XLBICWARYYWEIL-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753368577 1440386713 /nfs/dbraw/zinc/38/67/13/1440386713.db2.gz XWIKHJOZLJUYNQ-HSALFYBXSA-N 2 0 345.531 3.305 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753428815 1440397611 /nfs/dbraw/zinc/39/76/11/1440397611.db2.gz WITIEIXXGAQVFC-IFEVLTCRSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753445415 1440403540 /nfs/dbraw/zinc/40/35/40/1440403540.db2.gz LLUBHARBADTFQZ-OALUTQOASA-N 2 0 337.552 3.362 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753457276 1440408842 /nfs/dbraw/zinc/40/88/42/1440408842.db2.gz MXAAOPNOKZBOFI-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001753461102 1440410730 /nfs/dbraw/zinc/41/07/30/1440410730.db2.gz DLRDSDJJMWYXJQ-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001753471497 1440414072 /nfs/dbraw/zinc/41/40/72/1440414072.db2.gz NWWKPZRMOBXODP-WOJBJXKFSA-N 2 0 345.531 3.106 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CCCCC1 ZINC001753488725 1440418698 /nfs/dbraw/zinc/41/86/98/1440418698.db2.gz SDVNLUYHNHVSLJ-OALUTQOASA-N 2 0 337.552 3.314 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001753503472 1440424042 /nfs/dbraw/zinc/42/40/42/1440424042.db2.gz HGHSOMDLHDWBAR-XXCOWLKOSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001753522755 1440428772 /nfs/dbraw/zinc/42/87/72/1440428772.db2.gz AUQLSMDOIXLPOC-UWJYYQICSA-N 2 0 345.531 3.191 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001753523739 1440429106 /nfs/dbraw/zinc/42/91/06/1440429106.db2.gz PRNZJJCDNVMJEC-HXUWFJFHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001753547926 1440434510 /nfs/dbraw/zinc/43/45/10/1440434510.db2.gz JQYHJXSDVPMWBZ-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001753575472 1440439214 /nfs/dbraw/zinc/43/92/14/1440439214.db2.gz IXWXCYRDBQATCF-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(CC[NH2+]CC3CCCCC3)CC2)C1 ZINC001753576727 1440439427 /nfs/dbraw/zinc/43/94/27/1440439427.db2.gz FRCWFLCBBDOGPA-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001753587359 1440441785 /nfs/dbraw/zinc/44/17/85/1440441785.db2.gz SVXZOIIIOGWOEI-VJANTYMQSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)C)CC1 ZINC001753588008 1440441945 /nfs/dbraw/zinc/44/19/45/1440441945.db2.gz WRCMROSKCRFMKR-FHWLQOOXSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001753645425 1440455662 /nfs/dbraw/zinc/45/56/62/1440455662.db2.gz ZEYMRKHDKBPIPO-WMZOPIPTSA-N 2 0 333.520 3.047 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001753668447 1440461063 /nfs/dbraw/zinc/46/10/63/1440461063.db2.gz GZWAQBVDJAYKIH-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP CC1CC(C[NH2+]C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C2CCCCC2)C1 ZINC001753746278 1440481040 /nfs/dbraw/zinc/48/10/40/1440481040.db2.gz RSFMASNZBGVGBN-FAFZWHIHSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1)C1CCC1 ZINC001753780383 1440487228 /nfs/dbraw/zinc/48/72/28/1440487228.db2.gz VQGQMHCUSVBMMW-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001753783480 1440487683 /nfs/dbraw/zinc/48/76/83/1440487683.db2.gz CVJZCFXILJJSBO-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)CC1 ZINC001753823635 1440497468 /nfs/dbraw/zinc/49/74/68/1440497468.db2.gz MAMGIZXAQPOAOQ-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CCC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001753832000 1440500084 /nfs/dbraw/zinc/50/00/84/1440500084.db2.gz FNEVTCHUVTXUHK-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](C(=O)N(C)CC[N@H+](C)CCCC1CCC1)[NH+]1CCCCCC1 ZINC001753864767 1440513703 /nfs/dbraw/zinc/51/37/03/1440513703.db2.gz VPXUGDMJMRNFSR-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001753899170 1440523235 /nfs/dbraw/zinc/52/32/35/1440523235.db2.gz HIFAIRLEABBLGR-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001753900559 1440523499 /nfs/dbraw/zinc/52/34/99/1440523499.db2.gz ZHGXMWUGYGPXGQ-MNVMYWNISA-N 2 0 349.563 3.338 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753988512 1440528817 /nfs/dbraw/zinc/52/88/17/1440528817.db2.gz HFZMRWJZNZDGDD-VQIMIIECSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H](CC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753992346 1440529202 /nfs/dbraw/zinc/52/92/02/1440529202.db2.gz FOTSOTICEOHQQV-ULQDDVLXSA-N 2 0 325.541 3.027 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1Cl)C(=O)C[N@H+](C)C(C)C ZINC001754084298 1440539912 /nfs/dbraw/zinc/53/99/12/1440539912.db2.gz DZNAOLSKQYRTFP-HNNXBMFYSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)(C(=O)NC/C=C/C[NH2+]CCC1CCCCC1)[NH+]1CCCCC1 ZINC001754120388 1440542768 /nfs/dbraw/zinc/54/27/68/1440542768.db2.gz SYZIKJVINZUPKI-BQYQJAHWSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC001754122268 1440542843 /nfs/dbraw/zinc/54/28/43/1440542843.db2.gz ZBUKRMXKGRMJTR-NYZDRWPISA-N 2 0 349.906 3.003 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC(C(C)(C)C)CC1)[NH+](C)C ZINC001754272849 1440561730 /nfs/dbraw/zinc/56/17/30/1440561730.db2.gz UMHNLLZOYUIWFC-FCCDEINASA-N 2 0 339.568 3.273 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001754289714 1440564900 /nfs/dbraw/zinc/56/49/00/1440564900.db2.gz RVPMZIOCZQLOTJ-HOTGVXAUSA-N 2 0 349.494 3.101 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001754296584 1440566399 /nfs/dbraw/zinc/56/63/99/1440566399.db2.gz RDYQRTNZWFDALF-FXAWDEMLSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754330755 1440583685 /nfs/dbraw/zinc/58/36/85/1440583685.db2.gz NTQMPKJWRGCLDF-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001754407760 1440595903 /nfs/dbraw/zinc/59/59/03/1440595903.db2.gz KZTOUUOKEGHBDJ-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001754407953 1440595953 /nfs/dbraw/zinc/59/59/53/1440595953.db2.gz RPUISOULPBAUII-LJQANCHMSA-N 2 0 345.531 3.090 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001754505072 1440616001 /nfs/dbraw/zinc/61/60/01/1440616001.db2.gz PZMCRPGUSMCDKQ-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1)[NH+]1CCCCCC1 ZINC001754527976 1440621778 /nfs/dbraw/zinc/62/17/78/1440621778.db2.gz XISPRFMFUFOOOA-JLAWEPINSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001754541024 1440626194 /nfs/dbraw/zinc/62/61/94/1440626194.db2.gz OVSFBLGKTQKFNR-QRCQGXBMSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)C[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001754547881 1440628452 /nfs/dbraw/zinc/62/84/52/1440628452.db2.gz UWGMYSSKXARGFW-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001754557984 1440632641 /nfs/dbraw/zinc/63/26/41/1440632641.db2.gz USFURCXHUJDGJY-OLEQZPESSA-N 2 0 347.547 3.142 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C2)c1 ZINC001754602937 1440642838 /nfs/dbraw/zinc/64/28/38/1440642838.db2.gz FFPIXZQSTXTOEB-PXNSSMCTSA-N 2 0 345.531 3.058 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001754604154 1440642924 /nfs/dbraw/zinc/64/29/24/1440642924.db2.gz SKDFPUQDLYHUIQ-XOIGSVRCSA-N 2 0 335.536 3.188 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001754649305 1440651535 /nfs/dbraw/zinc/65/15/35/1440651535.db2.gz IQZIVOUUCLEGTR-UXHICEINSA-N 2 0 349.563 3.458 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001754650037 1440651576 /nfs/dbraw/zinc/65/15/76/1440651576.db2.gz MTSGSZCPTYYHSJ-ATZDWAIDSA-N 2 0 337.552 3.027 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001754650403 1440651782 /nfs/dbraw/zinc/65/17/82/1440651782.db2.gz LDNUXYUXQJHEPU-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001754679316 1440661349 /nfs/dbraw/zinc/66/13/49/1440661349.db2.gz PHMFKPWGNULOJD-UYAOXDASSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001754682795 1440663362 /nfs/dbraw/zinc/66/33/62/1440663362.db2.gz FHNVSFVNSYCLOZ-JXFKEZNVSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001754685054 1440664609 /nfs/dbraw/zinc/66/46/09/1440664609.db2.gz CSVCMEVBKTYNFC-HXUWFJFHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001754713536 1440670836 /nfs/dbraw/zinc/67/08/36/1440670836.db2.gz UVSRVEGTUFFUIJ-OAQYLSRUSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001754718617 1440672422 /nfs/dbraw/zinc/67/24/22/1440672422.db2.gz HOTDWCCNRNYMQQ-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001754732422 1440680491 /nfs/dbraw/zinc/68/04/91/1440680491.db2.gz UJBZCFHLKHNQDS-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001754834740 1440696607 /nfs/dbraw/zinc/69/66/07/1440696607.db2.gz XJRPDNXYMIFAIO-VJANTYMQSA-N 2 0 337.552 3.029 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001754871824 1440705405 /nfs/dbraw/zinc/70/54/05/1440705405.db2.gz MTQVWDLHGIYTIQ-MOPGFXCFSA-N 2 0 335.536 3.118 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754919723 1440709167 /nfs/dbraw/zinc/70/91/67/1440709167.db2.gz VZISHMNREJWGKC-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CCCC2)cc1)[NH+](C)C ZINC001754948635 1440714333 /nfs/dbraw/zinc/71/43/33/1440714333.db2.gz MBAZRMQMLPDDFC-UZLBHIALSA-N 2 0 345.531 3.484 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)c1cccc2nccn21 ZINC001754953878 1440715796 /nfs/dbraw/zinc/71/57/96/1440715796.db2.gz PIPCMSDQDBTUKY-QAQDUYKDSA-N 2 0 340.471 3.013 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001754982644 1440721668 /nfs/dbraw/zinc/72/16/68/1440721668.db2.gz LURNJLQUUMAHOZ-ZWKOTPCHSA-N 2 0 335.536 3.212 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCC1 ZINC001754989726 1440723993 /nfs/dbraw/zinc/72/39/93/1440723993.db2.gz IWIWCDDKIKOGHU-UHFFFAOYSA-N 2 0 342.487 3.321 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC3CCCCCC3)CCC2)C1 ZINC001754991405 1440724534 /nfs/dbraw/zinc/72/45/34/1440724534.db2.gz KULSMHUUPRGPAX-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001755033729 1440733142 /nfs/dbraw/zinc/73/31/42/1440733142.db2.gz DEWCWECQFYHCBA-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001755071727 1440746813 /nfs/dbraw/zinc/74/68/13/1440746813.db2.gz DXGVVJXEPYJMHD-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001755134973 1440757952 /nfs/dbraw/zinc/75/79/52/1440757952.db2.gz BGNBNFXJBQYGOV-HPFMTEOYSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCC1 ZINC001755162447 1440765227 /nfs/dbraw/zinc/76/52/27/1440765227.db2.gz VFNHGHHIFGMZNB-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001755183975 1440772319 /nfs/dbraw/zinc/77/23/19/1440772319.db2.gz VFPCMYNSTYLNIW-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001755199326 1440778605 /nfs/dbraw/zinc/77/86/05/1440778605.db2.gz UXEFLHWEYUSQKU-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001755313218 1440814269 /nfs/dbraw/zinc/81/42/69/1440814269.db2.gz KNIJQJJEYZLLSI-SJORKVTESA-N 2 0 347.547 3.433 20 0 EGADRP O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001755352848 1440828385 /nfs/dbraw/zinc/82/83/85/1440828385.db2.gz PBLYTLIMRVDPSJ-RTBURBONSA-N 2 0 347.547 3.212 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001755564096 1440875224 /nfs/dbraw/zinc/87/52/24/1440875224.db2.gz QOZFHESQIQRJTK-IBGZPJMESA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001755601447 1440884204 /nfs/dbraw/zinc/88/42/04/1440884204.db2.gz DLNAVQFWSCSHFE-QAPCUYQASA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1)c1ccccc1 ZINC001755610537 1440886821 /nfs/dbraw/zinc/88/68/21/1440886821.db2.gz ONAFLWJSBAZLRX-FXAWDEMLSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001755611739 1440887283 /nfs/dbraw/zinc/88/72/83/1440887283.db2.gz SRFXACCZTPRJDO-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001755666614 1440893470 /nfs/dbraw/zinc/89/34/70/1440893470.db2.gz GOUORMJOJMVQOO-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@H]1C ZINC001755666613 1440893521 /nfs/dbraw/zinc/89/35/21/1440893521.db2.gz GOUORMJOJMVQOO-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001755703518 1440901321 /nfs/dbraw/zinc/90/13/21/1440901321.db2.gz YKERFBGOFPKUCG-UYAOXDASSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001755704926 1440902135 /nfs/dbraw/zinc/90/21/35/1440902135.db2.gz RWMDPECDRFDBNY-UYAOXDASSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001755712621 1440904066 /nfs/dbraw/zinc/90/40/66/1440904066.db2.gz NPLBBHYRMYJSAL-VAMGGRTRSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755822119 1440926023 /nfs/dbraw/zinc/92/60/23/1440926023.db2.gz NMPWSIBGENTOPN-HKUYNNGSSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755822120 1440926091 /nfs/dbraw/zinc/92/60/91/1440926091.db2.gz NMPWSIBGENTOPN-IEBWSBKVSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1c(C(=O)N[C@@H](C[NH2+]CCC2CC2)C(C)(C)C)ccc2c[nH+]cn21 ZINC001755827428 1440927683 /nfs/dbraw/zinc/92/76/83/1440927683.db2.gz LIOHPWFMAURYFD-SFHVURJKSA-N 2 0 342.487 3.177 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(C3C[NH2+]C3)CC2)nc1 ZINC001164615128 719038003 /nfs/dbraw/zinc/03/80/03/719038003.db2.gz JWZGQPVJOPMAEN-LJQANCHMSA-N 2 0 328.504 3.064 20 0 EGADRP CN1CCC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1cccs1 ZINC000368217257 168326272 /nfs/dbraw/zinc/32/62/72/168326272.db2.gz XDDYQQQNTBBOAV-SUMWQHHRSA-N 2 0 341.484 3.144 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000368440907 168356385 /nfs/dbraw/zinc/35/63/85/168356385.db2.gz IXERUTWLOTYSCN-BHUNQDJPSA-N 2 0 337.508 3.039 20 0 EGADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000181703444 529501462 /nfs/dbraw/zinc/50/14/62/529501462.db2.gz WAAVXWJVWXHPAD-JKSUJKDBSA-N 2 0 329.488 3.282 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1F ZINC000370635041 168521834 /nfs/dbraw/zinc/52/18/34/168521834.db2.gz NPJMNMZZDQKZIT-KXBFYZLASA-N 2 0 337.458 3.174 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]C[C@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000372131192 168702025 /nfs/dbraw/zinc/70/20/25/168702025.db2.gz DMXNWXQGWSEKJV-KZNAEPCWSA-N 2 0 332.488 3.032 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000359470999 283184239 /nfs/dbraw/zinc/18/42/39/283184239.db2.gz KXDAWVGKSBVFOC-SCTDSRPQSA-N 2 0 348.535 3.097 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCS2 ZINC000187167940 236134866 /nfs/dbraw/zinc/13/48/66/236134866.db2.gz SDBQVYIQXOMVCM-FUHWJXTLSA-N 2 0 333.545 3.066 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749778 549325977 /nfs/dbraw/zinc/32/59/77/549325977.db2.gz SOEZKMMMSSVRTQ-UXHICEINSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000188118715 201044965 /nfs/dbraw/zinc/04/49/65/201044965.db2.gz MXNGXGJUTZEKOU-UKRRQHHQSA-N 2 0 337.305 3.454 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245628643 243138130 /nfs/dbraw/zinc/13/81/30/243138130.db2.gz RNTQPDQFBNISCT-XUVXKRRUSA-N 2 0 344.499 3.064 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000075346567 203312506 /nfs/dbraw/zinc/31/25/06/203312506.db2.gz QWMCXRDGLOGSGY-HNNXBMFYSA-N 2 0 343.471 3.051 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038775 203611194 /nfs/dbraw/zinc/61/11/94/203611194.db2.gz NKLHNUZKQWTHNB-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2Cl)CC1 ZINC000109788744 204293973 /nfs/dbraw/zinc/29/39/73/204293973.db2.gz NUWAYDDVYHSDSM-UHFFFAOYSA-N 2 0 337.895 3.475 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1Cl ZINC000128303482 205143772 /nfs/dbraw/zinc/14/37/72/205143772.db2.gz MDYQJRFHBFWXGM-AWEZNQCLSA-N 2 0 327.875 3.157 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000157954800 206165613 /nfs/dbraw/zinc/16/56/13/206165613.db2.gz VFFITHJCVYABET-MSOLQXFVSA-N 2 0 341.503 3.430 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(C)c1 ZINC000158503752 206195105 /nfs/dbraw/zinc/19/51/05/206195105.db2.gz JNFBPNZJYMYWMA-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000159198566 206231734 /nfs/dbraw/zinc/23/17/34/206231734.db2.gz IGDOGOGOFIPADH-AWEZNQCLSA-N 2 0 342.430 3.440 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000266192347 248162098 /nfs/dbraw/zinc/16/20/98/248162098.db2.gz XGECKIUDBVQZAZ-INIZCTEOSA-N 2 0 329.488 3.341 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000266192350 248162373 /nfs/dbraw/zinc/16/23/73/248162373.db2.gz XGECKIUDBVQZAZ-MRXNPFEDSA-N 2 0 329.488 3.341 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000377648130 169054471 /nfs/dbraw/zinc/05/44/71/169054471.db2.gz OCIIEBVGKFISPS-DOTOQJQBSA-N 2 0 349.544 3.074 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000378402082 169115365 /nfs/dbraw/zinc/11/53/65/169115365.db2.gz LJYZSGARZIBXDX-UHFFFAOYSA-N 2 0 326.488 3.440 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000378342298 169103772 /nfs/dbraw/zinc/10/37/72/169103772.db2.gz OAISSSRJPIDAMN-FXAWDEMLSA-N 2 0 345.531 3.393 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378632933 169150430 /nfs/dbraw/zinc/15/04/30/169150430.db2.gz NKOVIQJGGPPAJC-HUYLIWGRSA-N 2 0 334.479 3.330 20 0 EGADRP COc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000177226765 207310017 /nfs/dbraw/zinc/31/00/17/207310017.db2.gz RKVCMRQDLCGXQG-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000268833299 252281770 /nfs/dbraw/zinc/28/17/70/252281770.db2.gz STUAPIAJVKBSPO-MRXNPFEDSA-N 2 0 330.501 3.006 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000268833795 252283223 /nfs/dbraw/zinc/28/32/23/252283223.db2.gz ARHYHVDERYEFPE-SFTDATJTSA-N 2 0 329.532 3.330 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000119331074 221297006 /nfs/dbraw/zinc/29/70/06/221297006.db2.gz BMESHYGRIKXJOD-GOSISDBHSA-N 2 0 333.520 3.298 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000237476148 141004107 /nfs/dbraw/zinc/00/41/07/141004107.db2.gz JPUYHWLZOYQFAT-DYESRHJHSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCCC[NH2+]1 ZINC000237567992 141008562 /nfs/dbraw/zinc/00/85/62/141008562.db2.gz SRMUYIKVYJDTCU-OAQYLSRUSA-N 2 0 343.515 3.211 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000246532237 141014029 /nfs/dbraw/zinc/01/40/29/141014029.db2.gz VLJHIBBRXPZRSU-UXLLHSPISA-N 2 0 328.460 3.160 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000246554523 141014686 /nfs/dbraw/zinc/01/46/86/141014686.db2.gz WTJQWHGVOVNWJR-PCCBWWKXSA-N 2 0 328.500 3.422 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC000342810989 141150433 /nfs/dbraw/zinc/15/04/33/141150433.db2.gz SFDDXRIEBNDGLJ-SJLPKXTDSA-N 2 0 332.488 3.064 20 0 EGADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc2cccnc12 ZINC000346222579 141184314 /nfs/dbraw/zinc/18/43/14/141184314.db2.gz PELTVBDYYRQTGA-SLFFLAALSA-N 2 0 339.483 3.227 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000346286627 141191893 /nfs/dbraw/zinc/19/18/93/141191893.db2.gz RFEVYMNDUZIJBC-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000178290540 144068570 /nfs/dbraw/zinc/06/85/70/144068570.db2.gz FZBOIBKNVINQIG-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000178698964 144075206 /nfs/dbraw/zinc/07/52/06/144075206.db2.gz SZSUAMHBNUIQAF-FXAWDEMLSA-N 3 0 326.488 3.082 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1CN1CCOC[C@H]1c1cccn1C ZINC000192188969 144172100 /nfs/dbraw/zinc/17/21/00/144172100.db2.gz DTGDEIVMJMMGDX-FQEVSTJZSA-N 2 0 336.439 3.093 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480523 144266903 /nfs/dbraw/zinc/26/69/03/144266903.db2.gz VNYRNOARLZLTAT-ONIAQPFYSA-N 2 0 329.488 3.115 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCOc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000351495025 144269531 /nfs/dbraw/zinc/26/95/31/144269531.db2.gz OTAPXTSCQFRSEI-VBNZEHGJSA-N 2 0 328.378 3.143 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(OC)ccc2F)CC1 ZINC000351730509 144297963 /nfs/dbraw/zinc/29/79/63/144297963.db2.gz PCMRDQSUABDBKN-UHFFFAOYSA-N 2 0 338.467 3.157 20 0 EGADRP CC(C)=CCC[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000341472154 155310709 /nfs/dbraw/zinc/31/07/09/155310709.db2.gz AEXIXSDLSRWEIQ-IBGZPJMESA-N 2 0 330.520 3.318 20 0 EGADRP CCS[C@H]1CCCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191491476 153199675 /nfs/dbraw/zinc/19/96/75/153199675.db2.gz KORTWJRMMVDEBQ-SFHVURJKSA-N 2 0 327.582 3.010 20 0 EGADRP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000191581036 153208165 /nfs/dbraw/zinc/20/81/65/153208165.db2.gz WMMQUVWSUQGZEN-HXUWFJFHSA-N 2 0 330.516 3.285 20 0 EGADRP CCOc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC ZINC000192601080 153251293 /nfs/dbraw/zinc/25/12/93/153251293.db2.gz YKGRTDVQSHMIOV-AYHJJNSGSA-N 2 0 332.488 3.241 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000192925931 153268666 /nfs/dbraw/zinc/26/86/66/153268666.db2.gz NTYQBOULXNKTJV-GOSISDBHSA-N 2 0 340.467 3.316 20 0 EGADRP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192926215 153269212 /nfs/dbraw/zinc/26/92/12/153269212.db2.gz RAJAUYYQPOWYPP-GOSISDBHSA-N 2 0 347.466 3.083 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCC3(CC2)OCCO3)CN1Cc1ccccc1 ZINC000193158717 153280018 /nfs/dbraw/zinc/28/00/18/153280018.db2.gz AUISWZYTVULNSC-XLIONFOSSA-N 2 0 344.499 3.172 20 0 EGADRP CC(C)[NH+]1CCC(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310079825 154139166 /nfs/dbraw/zinc/13/91/66/154139166.db2.gz ILDDIMOLGLEIET-NRFANRHFSA-N 3 0 329.532 3.361 20 0 EGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311151748 154147904 /nfs/dbraw/zinc/14/79/04/154147904.db2.gz NIWGQPPFKXFFDF-ICSRJNTNSA-N 2 0 338.499 3.299 20 0 EGADRP COC1(CC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336663038 154209456 /nfs/dbraw/zinc/20/94/56/154209456.db2.gz WKOGOVLDENZAEC-WOJBJXKFSA-N 2 0 328.500 3.400 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337286259 154260947 /nfs/dbraw/zinc/26/09/47/154260947.db2.gz KLKOUSNJAXJWOA-NASSWSRMSA-N 2 0 343.515 3.075 20 0 EGADRP CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000337568513 154420552 /nfs/dbraw/zinc/42/05/52/154420552.db2.gz BJYZBEYTEYYKNK-VQTJNVASSA-N 2 0 345.531 3.055 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000344157938 286442860 /nfs/dbraw/zinc/44/28/60/286442860.db2.gz BWPDTFPQJFSRTO-KURKYZTESA-N 2 0 326.525 3.061 20 0 EGADRP CCCn1c2ccccc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347011257 156246611 /nfs/dbraw/zinc/24/66/11/156246611.db2.gz UJQORJNJLDNMGF-KRWDZBQOSA-N 2 0 326.488 3.410 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)CC1 ZINC000349039434 156328112 /nfs/dbraw/zinc/32/81/12/156328112.db2.gz XKUMGRITHPLTCJ-UHFFFAOYSA-N 2 0 345.462 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000349142118 156364419 /nfs/dbraw/zinc/36/44/19/156364419.db2.gz ICGJTNVRMRFXIH-IBGZPJMESA-N 2 0 329.488 3.138 20 0 EGADRP CSC1(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000356089643 286649375 /nfs/dbraw/zinc/64/93/75/286649375.db2.gz QOOBMMHRJYOICC-HOTGVXAUSA-N 2 0 326.550 3.093 20 0 EGADRP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)CC1CC[NH+](C)CC1 ZINC000093791100 162028227 /nfs/dbraw/zinc/02/82/27/162028227.db2.gz ZAPHAYIYDZDVAR-FQEVSTJZSA-N 2 0 332.488 3.018 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000111090579 162143914 /nfs/dbraw/zinc/14/39/14/162143914.db2.gz PHPSSJNDFAXJFY-FQEVSTJZSA-N 2 0 345.531 3.452 20 0 EGADRP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123356872 162255691 /nfs/dbraw/zinc/25/56/91/162255691.db2.gz KWKBFSNXNWWLSV-UHFFFAOYSA-N 2 0 336.476 3.182 20 0 EGADRP CCc1nc(CN2CCC(C[NH2+]Cc3ccn(C)c3)CC2)cs1 ZINC000125350812 162269589 /nfs/dbraw/zinc/26/95/89/162269589.db2.gz PAYKVHJLSDOHFE-UHFFFAOYSA-N 2 0 332.517 3.046 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)CCCO2 ZINC000126481353 162304123 /nfs/dbraw/zinc/30/41/23/162304123.db2.gz HNFBDJITKBFSLO-FQEVSTJZSA-N 2 0 345.531 3.251 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000131330686 162397759 /nfs/dbraw/zinc/39/77/59/162397759.db2.gz HJZKTJHNGSBAIV-SFHVURJKSA-N 2 0 332.536 3.146 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000249089728 163055484 /nfs/dbraw/zinc/05/54/84/163055484.db2.gz KDENHHGLPDEEFY-NCYKPQTJSA-N 2 0 340.511 3.446 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)nc2)[C@H](C)C1 ZINC000354334350 166005149 /nfs/dbraw/zinc/00/51/49/166005149.db2.gz MULZMEXSWVBVAG-YLJYHZDGSA-N 2 0 333.520 3.049 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)nc2)[C@@H](C)C1 ZINC000354334344 166005174 /nfs/dbraw/zinc/00/51/74/166005174.db2.gz MULZMEXSWVBVAG-FXAWDEMLSA-N 2 0 333.520 3.049 20 0 EGADRP CC(C)CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000338693736 163319945 /nfs/dbraw/zinc/31/99/45/163319945.db2.gz LHNIUIWKLMJLTP-LJQANCHMSA-N 2 0 330.520 3.138 20 0 EGADRP CCc1oc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1C(=O)OC ZINC000338943225 163395488 /nfs/dbraw/zinc/39/54/88/163395488.db2.gz WDNPHKPRXLLNPU-HNNXBMFYSA-N 2 0 336.476 3.230 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)cc1 ZINC000343808525 164039673 /nfs/dbraw/zinc/03/96/73/164039673.db2.gz BMTRLTUILOQVLA-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000354811365 166037764 /nfs/dbraw/zinc/03/77/64/166037764.db2.gz MJTUXCHMLZXOBE-LWYYNNOASA-N 2 0 349.563 3.361 20 0 EGADRP CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343926581 164068039 /nfs/dbraw/zinc/06/80/39/164068039.db2.gz JMVNMMMCWZTXRF-IBGZPJMESA-N 2 0 327.472 3.133 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000344093302 164101381 /nfs/dbraw/zinc/10/13/81/164101381.db2.gz FHBFFZYBLMEIDQ-PMACEKPBSA-N 2 0 333.495 3.065 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc2ncccc2c1 ZINC000344149780 164114510 /nfs/dbraw/zinc/11/45/10/164114510.db2.gz RRMABUWJTZUEER-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2CCC(OC)CC2)CC1 ZINC000344604510 164198898 /nfs/dbraw/zinc/19/88/98/164198898.db2.gz QWHNNGAYPDFONJ-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000345806434 164268871 /nfs/dbraw/zinc/26/88/71/164268871.db2.gz YITXHSUJXZFRDF-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)cc1)C1CC1 ZINC000345891875 164288133 /nfs/dbraw/zinc/28/81/33/164288133.db2.gz SUIOCBKLZGNMNK-VQTJNVASSA-N 2 0 341.499 3.028 20 0 EGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000345936666 164299468 /nfs/dbraw/zinc/29/94/68/164299468.db2.gz ZBUWWENBPOPVAU-QZTJIDSGSA-N 2 0 343.515 3.227 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC000345992280 164312274 /nfs/dbraw/zinc/31/22/74/164312274.db2.gz NMLFQLRATIIHTL-XLIONFOSSA-N 2 0 345.531 3.449 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000347155262 164452289 /nfs/dbraw/zinc/45/22/89/164452289.db2.gz COUBVYKNPOZKPN-SFHVURJKSA-N 2 0 332.488 3.448 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000348360065 164722492 /nfs/dbraw/zinc/72/24/92/164722492.db2.gz BYSWGCVVVYEKFG-RTBURBONSA-N 2 0 331.504 3.036 20 0 EGADRP C[N@@H+](Cc1ccn(C(F)F)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350317697 165029771 /nfs/dbraw/zinc/02/97/71/165029771.db2.gz MTVLUPLRGVGDRP-UHFFFAOYSA-N 2 0 335.402 3.022 20 0 EGADRP COCCC[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2COC)CC1 ZINC000352333000 165348746 /nfs/dbraw/zinc/34/87/46/165348746.db2.gz UUZCPZOCPMIBPU-SDXDJHTJSA-N 2 0 346.515 3.327 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+]2CC)cc1)C1CC1 ZINC000352336384 165351246 /nfs/dbraw/zinc/35/12/46/165351246.db2.gz RGYMHGNUONUSTQ-FQEVSTJZSA-N 2 0 343.515 3.227 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000355542440 166237400 /nfs/dbraw/zinc/23/74/00/166237400.db2.gz DQYOMZTVFQUMGH-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cnccc2C)CC1 ZINC000355596800 166256284 /nfs/dbraw/zinc/25/62/84/166256284.db2.gz ITCZJACVTXMEFQ-UHFFFAOYSA-N 2 0 338.499 3.164 20 0 EGADRP Cc1cccc(C[NH+](CCC2CC[NH2+]CC2)Cc2cccc(C)n2)n1 ZINC000359229695 167102625 /nfs/dbraw/zinc/10/26/25/167102625.db2.gz YGACAYSOJRGTSY-UHFFFAOYSA-N 2 0 338.499 3.485 20 0 EGADRP [NH3+]CCC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1 ZINC000359288098 167115768 /nfs/dbraw/zinc/11/57/68/167115768.db2.gz OPJRRDDBJUWFBG-UHFFFAOYSA-N 2 0 347.409 3.144 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360434453 167328241 /nfs/dbraw/zinc/32/82/41/167328241.db2.gz XUTKJDORBRJLCQ-CQSZACIVSA-N 2 0 341.499 3.441 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCc2ccsc2)CC1 ZINC000360901228 167442580 /nfs/dbraw/zinc/44/25/80/167442580.db2.gz HMVMKWYQXYLTRB-QZTJIDSGSA-N 2 0 335.561 3.171 20 0 EGADRP COc1ccc(F)cc1CNCc1ccc(-n2ccnc2C)nc1 ZINC000366038584 168074840 /nfs/dbraw/zinc/07/48/40/168074840.db2.gz HTRKUQCIBBJCAV-UHFFFAOYSA-N 2 0 326.375 3.013 20 0 EGADRP COCCCn1nccc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000366976509 168164743 /nfs/dbraw/zinc/16/47/43/168164743.db2.gz OZDNYFJROPSAMC-UHFFFAOYSA-N 2 0 348.535 3.052 20 0 EGADRP C[C@H]1C[N@H+](Cc2csc3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367029286 168170357 /nfs/dbraw/zinc/17/03/57/168170357.db2.gz LMVFKBVVQPEUNG-QFBILLFUSA-N 2 0 343.540 3.359 20 0 EGADRP Cc1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000367199399 168192215 /nfs/dbraw/zinc/19/22/15/168192215.db2.gz JQKUQYIHQKSEBU-UHFFFAOYSA-N 2 0 329.488 3.050 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000178035456 265293714 /nfs/dbraw/zinc/29/37/14/265293714.db2.gz XTQLMIINIZAWDO-ZWKOTPCHSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000180119409 265395299 /nfs/dbraw/zinc/39/52/99/265395299.db2.gz PFGWKGQCNDZZDU-AZUAARDMSA-N 2 0 349.588 3.419 20 0 EGADRP Cc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187983016 265639691 /nfs/dbraw/zinc/63/96/91/265639691.db2.gz KBWKOCLNQNWIMW-RXVVDRJESA-N 2 0 329.532 3.452 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236709396 266212379 /nfs/dbraw/zinc/21/23/79/266212379.db2.gz QBGDDTVMPHQNTG-MOPGFXCFSA-N 2 0 337.552 3.255 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237560123 266238737 /nfs/dbraw/zinc/23/87/37/266238737.db2.gz OOCSOBCLZPINEQ-PKOBYXMFSA-N 2 0 343.515 3.017 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000273286278 267013967 /nfs/dbraw/zinc/01/39/67/267013967.db2.gz XHKCWFYDXZNQIF-HNNXBMFYSA-N 2 0 335.492 3.041 20 0 EGADRP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000274599351 267260793 /nfs/dbraw/zinc/26/07/93/267260793.db2.gz HHQLGMQGLVJYIR-OXJNMPFZSA-N 2 0 339.483 3.169 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274900637 267304874 /nfs/dbraw/zinc/30/48/74/267304874.db2.gz LDSWFPSGEAUCBA-QLFBSQMISA-N 2 0 325.884 3.275 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274948799 267310422 /nfs/dbraw/zinc/31/04/22/267310422.db2.gz UUSJSNXWZXZZKN-YNWKUBOOSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cn1 ZINC000274960087 267311332 /nfs/dbraw/zinc/31/13/32/267311332.db2.gz WLVZZHQCECVMSI-CQSZACIVSA-N 2 0 330.863 3.445 20 0 EGADRP c1cn2c(C[NH2+]CC3CC[NH+](C4CC4)CC3)c(C3CC3)nc2s1 ZINC000278480155 268023029 /nfs/dbraw/zinc/02/30/29/268023029.db2.gz JELJMTOLJBMDAK-UHFFFAOYSA-N 2 0 330.501 3.237 20 0 EGADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000355225006 274147005 /nfs/dbraw/zinc/14/70/05/274147005.db2.gz RDNIBDMQLDTFAQ-MJGOQNOKSA-N 2 0 339.483 3.133 20 0 EGADRP O[C@@H](C[NH2+][C@@H]1CCCc2c3ccccc3sc21)C[NH+]1CCCC1 ZINC000360242409 275052287 /nfs/dbraw/zinc/05/22/87/275052287.db2.gz OIDRKZIFMJULTO-WMLDXEAASA-N 2 0 330.497 3.325 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000044533215 275131728 /nfs/dbraw/zinc/13/17/28/275131728.db2.gz RWSBXSFRIVIDNA-STQMWFEESA-N 2 0 341.293 3.450 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271901592 275239915 /nfs/dbraw/zinc/23/99/15/275239915.db2.gz VQEZWTITNWDNCZ-INIZCTEOSA-N 2 0 329.488 3.379 20 0 EGADRP Cc1nccn1CCC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271908779 275240525 /nfs/dbraw/zinc/24/05/25/275240525.db2.gz ZZXGWUHWJUMWRJ-GFCCVEGCSA-N 2 0 331.851 3.473 20 0 EGADRP CCn1nc(C)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000279695966 275350611 /nfs/dbraw/zinc/35/06/11/275350611.db2.gz QKOKABLPUJTRIH-BGYRXZFFSA-N 2 0 338.499 3.084 20 0 EGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279789808 275359628 /nfs/dbraw/zinc/35/96/28/275359628.db2.gz UXAXFFRRCWUGNT-RMJJICAUSA-N 2 0 334.504 3.242 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000282297208 275619989 /nfs/dbraw/zinc/61/99/89/275619989.db2.gz SLQKZYIXWBTUEF-ICSRJNTNSA-N 2 0 334.504 3.312 20 0 EGADRP COc1cccc(OC)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000285827808 275917271 /nfs/dbraw/zinc/91/72/71/275917271.db2.gz HDARIURZEVSVEF-UHFFFAOYSA-N 2 0 341.455 3.105 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947958 276061614 /nfs/dbraw/zinc/06/16/14/276061614.db2.gz MLYAOIDFABWAQZ-YLJYHZDGSA-N 2 0 347.466 3.192 20 0 EGADRP COc1ccncc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000287674871 276146099 /nfs/dbraw/zinc/14/60/99/276146099.db2.gz HVSHSCPXNUGEQO-UHFFFAOYSA-N 2 0 340.471 3.224 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000358455259 276195117 /nfs/dbraw/zinc/19/51/17/276195117.db2.gz YCKZSQDAEMDJHF-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000376740194 276328612 /nfs/dbraw/zinc/32/86/12/276328612.db2.gz RESVXLVMFKVMSE-HXUWFJFHSA-N 2 0 346.515 3.456 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000289556703 276357665 /nfs/dbraw/zinc/35/76/65/276357665.db2.gz YEKCNEPDYISELY-SFTDATJTSA-N 2 0 329.532 3.066 20 0 EGADRP Oc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000289561960 276358251 /nfs/dbraw/zinc/35/82/51/276358251.db2.gz RBNCVCZAJQSPFC-UHFFFAOYSA-N 2 0 328.378 3.375 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc4occc4c3)CC2)CC1 ZINC000290041901 276438570 /nfs/dbraw/zinc/43/85/70/276438570.db2.gz OBMPEDRYMHWTME-UHFFFAOYSA-N 2 0 341.499 3.423 20 0 EGADRP CN(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000297829182 276826530 /nfs/dbraw/zinc/82/65/30/276826530.db2.gz ZNTFYGDYNRBSGA-KRWDZBQOSA-N 2 0 330.501 3.004 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000353933570 277326207 /nfs/dbraw/zinc/32/62/07/277326207.db2.gz QACOABUBHTUKMU-NEWSRXKRSA-N 2 0 332.488 3.076 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000269175734 279136419 /nfs/dbraw/zinc/13/64/19/279136419.db2.gz ILIUHMIGFBHVSE-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000356301451 279153568 /nfs/dbraw/zinc/15/35/68/279153568.db2.gz QGJUPEJLBWFCFB-FPOVZHCZSA-N 2 0 343.515 3.014 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000338004573 279235403 /nfs/dbraw/zinc/23/54/03/279235403.db2.gz VGSGREFDPANADI-KRWDZBQOSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000378429894 280333132 /nfs/dbraw/zinc/33/31/32/280333132.db2.gz LPUIAFHVAFOJNZ-RKVPGOIHSA-N 2 0 329.444 3.447 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000236628466 281823802 /nfs/dbraw/zinc/82/38/02/281823802.db2.gz QDTYMZLCCPQTKQ-UYAOXDASSA-N 2 0 343.515 3.047 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356846865 290387497 /nfs/dbraw/zinc/38/74/97/290387497.db2.gz JESSLOQILLJQRN-HNNXBMFYSA-N 2 0 335.458 3.257 20 0 EGADRP COc1cc(OC)c(OC)cc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352545884 295006980 /nfs/dbraw/zinc/00/69/80/295006980.db2.gz MUGLIOHRJINSKE-UHFFFAOYSA-N 2 0 336.476 3.053 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000166415299 303463098 /nfs/dbraw/zinc/46/30/98/303463098.db2.gz CIQLBYGXQKQBBI-VQTJNVASSA-N 2 0 343.515 3.196 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000074319738 307392544 /nfs/dbraw/zinc/39/25/44/307392544.db2.gz ZWYZOVGMMAHOTH-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120784071 307511335 /nfs/dbraw/zinc/51/13/35/307511335.db2.gz GOUVUYDDRNCZSW-RBUKOAKNSA-N 2 0 331.548 3.419 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000129574899 307616690 /nfs/dbraw/zinc/61/66/90/307616690.db2.gz RABFBBJDQJGBQL-HOCLYGCPSA-N 2 0 347.469 3.256 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1C[C@H]1C ZINC000414093577 309060572 /nfs/dbraw/zinc/06/05/72/309060572.db2.gz MJWRATHECIKCTN-AHRSYUTCSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncc(Br)s1 ZINC000414179052 309065193 /nfs/dbraw/zinc/06/51/93/309065193.db2.gz KZWPQZWCMNTBOZ-QWRGUYRKSA-N 2 0 332.311 3.288 20 0 EGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000152590498 307756115 /nfs/dbraw/zinc/75/61/15/307756115.db2.gz NHTIQBJMAZLSTK-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000152815765 307760100 /nfs/dbraw/zinc/76/01/00/307760100.db2.gz SOBTUOKNICUVNI-RLLQIKCJSA-N 2 0 329.532 3.405 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000154261232 307791200 /nfs/dbraw/zinc/79/12/00/307791200.db2.gz WIOZGLZBSRBISV-MRXNPFEDSA-N 2 0 335.561 3.305 20 0 EGADRP OC1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414304522 309071736 /nfs/dbraw/zinc/07/17/36/309071736.db2.gz MOAKPRXJCSYHIM-WOJBJXKFSA-N 2 0 328.500 3.182 20 0 EGADRP COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000414308465 309072055 /nfs/dbraw/zinc/07/20/55/309072055.db2.gz QHTIIYICFRUHGV-IJXRJRJASA-N 2 0 328.500 3.444 20 0 EGADRP CCCC[C@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414325353 309073187 /nfs/dbraw/zinc/07/31/87/309073187.db2.gz LYGKJGLJRMITSK-FQEVSTJZSA-N 2 0 345.531 3.442 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccnc2)[C@H](C)C1 ZINC000414329815 309073366 /nfs/dbraw/zinc/07/33/66/309073366.db2.gz IQQUMUIXUPYRPV-IEBWSBKVSA-N 2 0 333.520 3.086 20 0 EGADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414338394 309073869 /nfs/dbraw/zinc/07/38/69/309073869.db2.gz KKUNOCRIGYQJDK-INIZCTEOSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000166108017 307930532 /nfs/dbraw/zinc/93/05/32/307930532.db2.gz YILZJXAACFIHAB-LEWJYISDSA-N 2 0 329.532 3.234 20 0 EGADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccnc1 ZINC000248494586 308004287 /nfs/dbraw/zinc/00/42/87/308004287.db2.gz KMVKXBJUBYXYKS-XUVXKRRUSA-N 2 0 331.504 3.280 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000249046529 308017880 /nfs/dbraw/zinc/01/78/80/308017880.db2.gz FFJCIDNJYORGTB-XSDIEEQYSA-N 2 0 333.564 3.469 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CCN4CCCCC4)C3)CC2)cc1 ZINC000293322492 308120166 /nfs/dbraw/zinc/12/01/66/308120166.db2.gz MDFGZWKGXZYUHH-UHFFFAOYSA-N 2 0 341.543 3.460 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000293779132 308161165 /nfs/dbraw/zinc/16/11/65/308161165.db2.gz SUXGLJOHNFPQAI-INIZCTEOSA-N 2 0 338.517 3.007 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CS1 ZINC000414497358 309084650 /nfs/dbraw/zinc/08/46/50/309084650.db2.gz KHELWYRINSYQHS-WBVHZDCISA-N 2 0 333.545 3.201 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)[C@H](C)C1 ZINC000293858161 308168246 /nfs/dbraw/zinc/16/82/46/308168246.db2.gz YUPMKKWNPGVJOY-UKRRQHHQSA-N 2 0 340.895 3.220 20 0 EGADRP O=C(NCCCCC[NH+]1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000293981211 308179966 /nfs/dbraw/zinc/17/99/66/308179966.db2.gz RPHJLGHTRIAKGD-UHFFFAOYSA-N 2 0 343.515 3.278 20 0 EGADRP COCc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000294149712 308194943 /nfs/dbraw/zinc/19/49/43/308194943.db2.gz HIHSXVQYRYUBBQ-UHFFFAOYSA-N 2 0 329.419 3.126 20 0 EGADRP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294276619 308206067 /nfs/dbraw/zinc/20/60/67/308206067.db2.gz SHVORKPTHWKONR-FOIQADDNSA-N 2 0 343.446 3.291 20 0 EGADRP Cc1cccc(C[NH2+]Cc2ccccc2CN2CCOCC2)c1F ZINC000294850208 308263862 /nfs/dbraw/zinc/26/38/62/308263862.db2.gz UVDJZGXQSCMFCU-UHFFFAOYSA-N 2 0 328.431 3.256 20 0 EGADRP CCN(C)C(=O)[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000294937815 308273800 /nfs/dbraw/zinc/27/38/00/308273800.db2.gz BZIVCNWGSSOQGW-IHPCNDPISA-N 2 0 345.531 3.132 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccsc1 ZINC000296066633 308390306 /nfs/dbraw/zinc/39/03/06/308390306.db2.gz RXMVOWNKNFWAJF-KRWDZBQOSA-N 2 0 330.501 3.136 20 0 EGADRP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697861 309096019 /nfs/dbraw/zinc/09/60/19/309096019.db2.gz CLCYVDCEMQZJNK-TYPHKJRUSA-N 3 0 329.532 3.219 20 0 EGADRP COc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414675227 309095027 /nfs/dbraw/zinc/09/50/27/309095027.db2.gz FLRTXSSQNCDYRM-CHWSQXEVSA-N 2 0 341.293 3.278 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771659 309099971 /nfs/dbraw/zinc/09/99/71/309099971.db2.gz AFAVZNUCKBBYKV-HZPDHXFCSA-N 2 0 328.435 3.037 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414738090 309098239 /nfs/dbraw/zinc/09/82/39/309098239.db2.gz OGISERHNRRNHCU-WLRLJWMZSA-N 3 0 329.532 3.047 20 0 EGADRP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772079 309099894 /nfs/dbraw/zinc/09/98/94/309099894.db2.gz BGADOOIEZQWQOG-HUUCEWRRSA-N 2 0 328.378 3.407 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788945 309101395 /nfs/dbraw/zinc/10/13/95/309101395.db2.gz XNGQDJROQQWDRW-RTBURBONSA-N 2 0 338.499 3.311 20 0 EGADRP Cc1cccc(O[C@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298444368 308614850 /nfs/dbraw/zinc/61/48/50/308614850.db2.gz NQGCGFKHDPQGLF-QGZVFWFLSA-N 2 0 325.456 3.416 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414805819 309102632 /nfs/dbraw/zinc/10/26/32/309102632.db2.gz PVIUMRBYWLWJIY-RDTXWAMCSA-N 2 0 332.879 3.441 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414830941 309104311 /nfs/dbraw/zinc/10/43/11/309104311.db2.gz CRYOFNMEJXMARL-HUUCEWRRSA-N 2 0 337.895 3.345 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414830200 309104323 /nfs/dbraw/zinc/10/43/23/309104323.db2.gz ASOHYVYJRPOPCW-VIFPVBQESA-N 2 0 339.199 3.413 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414836498 309104586 /nfs/dbraw/zinc/10/45/86/309104586.db2.gz SSIAJZNUYNSWBQ-AWEZNQCLSA-N 2 0 339.886 3.033 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000326710192 308771070 /nfs/dbraw/zinc/77/10/70/308771070.db2.gz ZSDQTHREVYVSFL-JBACZVJFSA-N 2 0 329.532 3.186 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000414844904 309105226 /nfs/dbraw/zinc/10/52/26/309105226.db2.gz DFVNAMUMKVXSBK-CVEARBPZSA-N 2 0 335.923 3.282 20 0 EGADRP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000411297870 308933993 /nfs/dbraw/zinc/93/39/93/308933993.db2.gz IILBTONDEOGRKC-VQTJNVASSA-N 2 0 332.463 3.258 20 0 EGADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411623748 308946135 /nfs/dbraw/zinc/94/61/35/308946135.db2.gz ZVZDCVSTLCLEOL-HKUYNNGSSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414847798 309105383 /nfs/dbraw/zinc/10/53/83/309105383.db2.gz JPJPRXHNUPVTAM-LJQANCHMSA-N 2 0 340.515 3.336 20 0 EGADRP [NH3+]C[C@@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000414855296 309105794 /nfs/dbraw/zinc/10/57/94/309105794.db2.gz WRBGACCQJGPJPB-OAQYLSRUSA-N 2 0 347.522 3.330 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414895000 309107917 /nfs/dbraw/zinc/10/79/17/309107917.db2.gz MHFONXOMQGIPBA-OAHLLOKOSA-N 2 0 340.496 3.487 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C)CC[NH3+])cc2)c1 ZINC000414897236 309107986 /nfs/dbraw/zinc/10/79/86/309107986.db2.gz QUPBBGMCZHKQOY-AWEZNQCLSA-N 2 0 330.428 3.323 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000414898661 309108218 /nfs/dbraw/zinc/10/82/18/309108218.db2.gz SZKFNBMJQXTVTO-SKDRFNHKSA-N 2 0 344.299 3.386 20 0 EGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414904842 309108508 /nfs/dbraw/zinc/10/85/08/309108508.db2.gz MDGTZIZDFMFELD-OAHLLOKOSA-N 2 0 338.377 3.327 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911122 309108777 /nfs/dbraw/zinc/10/87/77/309108777.db2.gz WEKDBMUJEHHZTK-QWHCGFSZSA-N 2 0 343.393 3.154 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000414915595 309109029 /nfs/dbraw/zinc/10/90/29/309109029.db2.gz ZTHVVQFFXKMBCS-UHFFFAOYSA-N 2 0 326.868 3.227 20 0 EGADRP c1cc(COc2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2)ccn1 ZINC000414967845 309111947 /nfs/dbraw/zinc/11/19/47/309111947.db2.gz HTZBFYNOTOMDTH-IBGZPJMESA-N 2 0 325.456 3.282 20 0 EGADRP [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414971816 309112362 /nfs/dbraw/zinc/11/23/62/309112362.db2.gz WUZZKIWBDBHVKR-LJQANCHMSA-N 2 0 344.503 3.060 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414990763 309113003 /nfs/dbraw/zinc/11/30/03/309113003.db2.gz JBMYPTRSWDNCRO-ZAQWFSBCSA-N 2 0 346.368 3.372 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000415003423 309113770 /nfs/dbraw/zinc/11/37/70/309113770.db2.gz MYOHSEQEGJWYIH-JUSBFGHESA-N 2 0 344.474 3.066 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415017431 309114533 /nfs/dbraw/zinc/11/45/33/309114533.db2.gz FJAYAXHPSCKOKD-GFCCVEGCSA-N 2 0 326.366 3.108 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000415024050 309114914 /nfs/dbraw/zinc/11/49/14/309114914.db2.gz OBUOTGMJXCULGF-CYBMUJFWSA-N 2 0 327.875 3.161 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415049296 309116492 /nfs/dbraw/zinc/11/64/92/309116492.db2.gz XTWNEDFYAPUARL-ULQDDVLXSA-N 2 0 342.405 3.310 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000415050332 309116615 /nfs/dbraw/zinc/11/66/15/309116615.db2.gz YMQDXMOJUXSZHK-VQIMIIECSA-N 2 0 338.499 3.442 20 0 EGADRP COc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc(OC)c1OC ZINC000415054331 309116878 /nfs/dbraw/zinc/11/68/78/309116878.db2.gz NHARPMUCHPTFSS-KRWDZBQOSA-N 2 0 344.455 3.282 20 0 EGADRP CC1CCN([C@H](C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c2cccs2)CC1 ZINC000415079516 309118879 /nfs/dbraw/zinc/11/88/79/309118879.db2.gz HWOZSMGVYJMSSP-RCCFBDPRSA-N 2 0 335.561 3.499 20 0 EGADRP FC(F)(F)c1cccc(C2(C[NH2+]C3CC[NH2+]CC3)CCOCC2)c1 ZINC000415085014 309119121 /nfs/dbraw/zinc/11/91/21/309119121.db2.gz HOIUGGMCARZPFD-UHFFFAOYSA-N 2 0 342.405 3.095 20 0 EGADRP Fc1ccc(CN2CCC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)c(Cl)c1 ZINC000415089838 309119509 /nfs/dbraw/zinc/11/95/09/309119509.db2.gz YFXXQFMFGDNBFR-IRXDYDNUSA-N 2 0 339.886 3.175 20 0 EGADRP CCOc1c(Cl)cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415124971 309122006 /nfs/dbraw/zinc/12/20/06/309122006.db2.gz KSLQVQADYSBZLO-JSGCOSHPSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1CCCC[C@H]1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415128076 309122339 /nfs/dbraw/zinc/12/23/39/309122339.db2.gz JMVNLEPHKAZXKJ-ICSRJNTNSA-N 2 0 329.532 3.396 20 0 EGADRP CCC[C@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415133442 309122914 /nfs/dbraw/zinc/12/29/14/309122914.db2.gz CHEVCIFBBNVANB-AQNXPRMDSA-N 2 0 328.500 3.271 20 0 EGADRP C[C@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccc(Cl)c1 ZINC000415145337 309123632 /nfs/dbraw/zinc/12/36/32/309123632.db2.gz WWGUFLCSVAUNLY-OLMNPRSZSA-N 2 0 334.891 3.144 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000415927863 309149328 /nfs/dbraw/zinc/14/93/28/309149328.db2.gz DPZMXWVYNIYIMC-UHFFFAOYSA-N 2 0 340.471 3.179 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970638 309152027 /nfs/dbraw/zinc/15/20/27/309152027.db2.gz FMBWEHIQMFYQPM-WMZOPIPTSA-N 2 0 344.503 3.264 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000415972576 309152225 /nfs/dbraw/zinc/15/22/25/309152225.db2.gz NBJGLSIJRMCNIK-IYBDPMFKSA-N 2 0 346.519 3.284 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000415986567 309153067 /nfs/dbraw/zinc/15/30/67/309153067.db2.gz VBJMEMZYWXTTQL-UHFFFAOYSA-N 2 0 346.500 3.063 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988493 309153304 /nfs/dbraw/zinc/15/33/04/309153304.db2.gz CXCGVRSBQCKLDG-GOSISDBHSA-N 2 0 330.476 3.066 20 0 EGADRP CCC(CC)(CNC(=O)N1CCC[C@@H]([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417696207 309218450 /nfs/dbraw/zinc/21/84/50/309218450.db2.gz CDGIWXOUKWYMTG-FUHWJXTLSA-N 2 0 346.519 3.029 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418339148 309243001 /nfs/dbraw/zinc/24/30/01/309243001.db2.gz BGYUQNQPXABTET-IBGZPJMESA-N 2 0 348.535 3.183 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000420295988 309279846 /nfs/dbraw/zinc/27/98/46/309279846.db2.gz WKBXXGYZXHFATH-UHFFFAOYSA-N 2 0 341.293 3.149 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420295505 309279888 /nfs/dbraw/zinc/27/98/88/309279888.db2.gz PIYQBFDNFFSFJF-LBPRGKRZSA-N 2 0 332.469 3.247 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000420300249 309280272 /nfs/dbraw/zinc/28/02/72/309280272.db2.gz JSYFSAAMGSMLKK-PCCBWWKXSA-N 2 0 342.458 3.187 20 0 EGADRP COc1cc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000420301771 309280492 /nfs/dbraw/zinc/28/04/92/309280492.db2.gz JCNPPJFSXKOCKE-CYBMUJFWSA-N 2 0 340.414 3.261 20 0 EGADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000420319946 309281830 /nfs/dbraw/zinc/28/18/30/309281830.db2.gz PQMIQLHXZSIOJT-YMRXKLBXSA-N 2 0 343.298 3.273 20 0 EGADRP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420326642 309282450 /nfs/dbraw/zinc/28/24/50/309282450.db2.gz COFNFDIAYCZTDM-BGYRXZFFSA-N 2 0 349.478 3.370 20 0 EGADRP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420327961 309282494 /nfs/dbraw/zinc/28/24/94/309282494.db2.gz LXILKVUNLGVQQM-QZTJIDSGSA-N 2 0 325.456 3.472 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420333985 309282853 /nfs/dbraw/zinc/28/28/53/309282853.db2.gz KOVLNXCNVUFGSM-UHFFFAOYSA-N 2 0 342.439 3.185 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420333288 309282857 /nfs/dbraw/zinc/28/28/57/309282857.db2.gz FHTJJGZZIHTNGL-SJLPKXTDSA-N 2 0 329.488 3.094 20 0 EGADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc2ccccc21 ZINC000420333103 309282924 /nfs/dbraw/zinc/28/29/24/309282924.db2.gz JXDBSQKEEAJSTR-HDICACEKSA-N 2 0 337.467 3.100 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000420340633 309283155 /nfs/dbraw/zinc/28/31/55/309283155.db2.gz MXPVSPLGRHYRFL-PKOBYXMFSA-N 2 0 343.515 3.403 20 0 EGADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420338241 309283258 /nfs/dbraw/zinc/28/32/58/309283258.db2.gz KMBFWUBZEVYOLT-SQGPQFPESA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343819 309283412 /nfs/dbraw/zinc/28/34/12/309283412.db2.gz RMRGNCSBPVUBKU-HYVNUMGLSA-N 2 0 326.444 3.119 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344641 309283492 /nfs/dbraw/zinc/28/34/92/309283492.db2.gz UIKBONRPGJRESY-WMLDXEAASA-N 2 0 349.906 3.439 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3cccc(F)c3)CC2)CC1 ZINC000420974023 309305300 /nfs/dbraw/zinc/30/53/00/309305300.db2.gz DCDIOMHTHXTAHW-UHFFFAOYSA-N 2 0 347.522 3.250 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000420973728 309305439 /nfs/dbraw/zinc/30/54/39/309305439.db2.gz CRONTJCOWFXGQP-LEWJYISDSA-N 2 0 345.506 3.174 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000421380421 309321635 /nfs/dbraw/zinc/32/16/35/309321635.db2.gz VSCACONUVFKQIY-FAEJEUNOSA-N 2 0 334.504 3.406 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000421381487 309321851 /nfs/dbraw/zinc/32/18/51/309321851.db2.gz WTUYEDFWDFGDSR-IFMALSPDSA-N 2 0 341.543 3.282 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000421679162 309334367 /nfs/dbraw/zinc/33/43/67/309334367.db2.gz HXVOEBNNSCEMDL-ACBHZAAOSA-N 2 0 331.504 3.059 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000421840935 309342867 /nfs/dbraw/zinc/34/28/67/309342867.db2.gz JGLYGGBKOUHSNY-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000422563644 309361844 /nfs/dbraw/zinc/36/18/44/309361844.db2.gz UAQXMHQLQLPTAP-HLIPFELVSA-N 2 0 339.483 3.466 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000422698378 309363507 /nfs/dbraw/zinc/36/35/07/309363507.db2.gz ZAAOLKIVXBJMEU-DLBZAZTESA-N 2 0 341.455 3.490 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422710699 309364199 /nfs/dbraw/zinc/36/41/99/309364199.db2.gz LYVVEWLQCBZVBF-UONOGXRCSA-N 2 0 329.419 3.293 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000422710106 309364204 /nfs/dbraw/zinc/36/42/04/309364204.db2.gz KXJINURZFSVAAA-SJORKVTESA-N 2 0 346.515 3.264 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422712539 309364490 /nfs/dbraw/zinc/36/44/90/309364490.db2.gz IMIVFLDQIRYWLA-RTWAWAEBSA-N 2 0 339.483 3.252 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422726602 309365375 /nfs/dbraw/zinc/36/53/75/309365375.db2.gz FMYOODYQCAMENG-KKUMJFAQSA-N 2 0 326.444 3.110 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422733226 309365756 /nfs/dbraw/zinc/36/57/56/309365756.db2.gz QLKLWHXKRPBRCX-KDOFPFPSSA-N 2 0 344.528 3.398 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@H](C)C1 ZINC000422746374 309366167 /nfs/dbraw/zinc/36/61/67/309366167.db2.gz NTSRSXDQFNSSIK-ZRNYENFQSA-N 2 0 339.568 3.024 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N(C)C ZINC000422744964 309366217 /nfs/dbraw/zinc/36/62/17/309366217.db2.gz LBIPOCNMNLTBSG-AFYVEPGGSA-N 2 0 345.531 3.198 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422747531 309366235 /nfs/dbraw/zinc/36/62/35/309366235.db2.gz QHSONEGLONVEKX-KZULUSFZSA-N 2 0 348.441 3.080 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422753083 309366671 /nfs/dbraw/zinc/36/66/71/309366671.db2.gz DLYRIZVMQGXQLW-SWLSCSKDSA-N 2 0 329.257 3.238 20 0 EGADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Cc1cccc(Br)c1 ZINC000422767626 309367271 /nfs/dbraw/zinc/36/72/71/309367271.db2.gz YLZUHKNIILRXQT-RCBQFDQVSA-N 2 0 325.294 3.487 20 0 EGADRP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000422770056 309367495 /nfs/dbraw/zinc/36/74/95/309367495.db2.gz WHHWGLPPKNFRKT-VAMGGRTRSA-N 2 0 342.531 3.259 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422784057 309368133 /nfs/dbraw/zinc/36/81/33/309368133.db2.gz PEGMHIKTIQPLES-KFKAGJAMSA-N 2 0 326.440 3.321 20 0 EGADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000422795164 309368606 /nfs/dbraw/zinc/36/86/06/309368606.db2.gz ZSJSIFOVNSUTDC-MGPUTAFESA-N 2 0 326.488 3.111 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422793482 309368611 /nfs/dbraw/zinc/36/86/11/309368611.db2.gz FPIDYPXIKPEUKF-INIZCTEOSA-N 2 0 332.488 3.377 20 0 EGADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000422804010 309369264 /nfs/dbraw/zinc/36/92/64/309369264.db2.gz GUIDWPZEVXWWKB-CEXWTWQISA-N 2 0 338.499 3.311 20 0 EGADRP c1ccc2c(c1)CCN(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805184 309369499 /nfs/dbraw/zinc/36/94/99/309369499.db2.gz IREVOFCQRPNANA-BHDDXSALSA-N 2 0 341.543 3.335 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422811986 309369700 /nfs/dbraw/zinc/36/97/00/309369700.db2.gz VPUBMDQSCRGOHP-IIBYNOLFSA-N 2 0 348.494 3.349 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820814 309370153 /nfs/dbraw/zinc/37/01/53/309370153.db2.gz SIONLQDYDQARHC-WIYYLYMNSA-N 2 0 348.494 3.022 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1Br ZINC000422830782 309370680 /nfs/dbraw/zinc/37/06/80/309370680.db2.gz CYXNVIIFNYVHSL-IPYPFGDCSA-N 2 0 341.293 3.324 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000422835762 309371105 /nfs/dbraw/zinc/37/11/05/309371105.db2.gz JAJYDQWKUSEBDB-MQGJPIDWSA-N 2 0 338.495 3.355 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422841879 309371268 /nfs/dbraw/zinc/37/12/68/309371268.db2.gz XARKDQAGEKJLNL-GHTZIAJQSA-N 3 0 331.548 3.293 20 0 EGADRP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422840018 309371400 /nfs/dbraw/zinc/37/14/00/309371400.db2.gz RXINPGVIHBTHAB-JCHJZTRSSA-N 2 0 333.907 3.429 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843061 309371454 /nfs/dbraw/zinc/37/14/54/309371454.db2.gz GUVNJEGMDDPPDF-NQIIRXRSSA-N 2 0 338.495 3.283 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422852517 309372114 /nfs/dbraw/zinc/37/21/14/309372114.db2.gz XWLYFBRTQFLMEM-QFBILLFUSA-N 2 0 341.430 3.295 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cc2)n1 ZINC000422853490 309372141 /nfs/dbraw/zinc/37/21/41/309372141.db2.gz CBSJGMFGRHVFQR-UYAOXDASSA-N 2 0 326.488 3.139 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1C ZINC000422878326 309373358 /nfs/dbraw/zinc/37/33/58/309373358.db2.gz IZIDXXKCMUUTJM-MRXNPFEDSA-N 2 0 326.488 3.334 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422877916 309373529 /nfs/dbraw/zinc/37/35/29/309373529.db2.gz IXBJXHMMIZERDD-PXNSSMCTSA-N 2 0 346.515 3.254 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)o1 ZINC000422884892 309373996 /nfs/dbraw/zinc/37/39/96/309373996.db2.gz XWMGLJXUDGEYKN-KXBFYZLASA-N 2 0 342.487 3.238 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000422890127 309374398 /nfs/dbraw/zinc/37/43/98/309374398.db2.gz RGZBSGMJMFWAFZ-DLBZAZTESA-N 2 0 332.488 3.275 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422902103 309375127 /nfs/dbraw/zinc/37/51/27/309375127.db2.gz CXOMKBQUDWOTQP-HIFRSBDPSA-N 2 0 325.884 3.034 20 0 EGADRP c1ccc(SC2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422902476 309375309 /nfs/dbraw/zinc/37/53/09/309375309.db2.gz DHVXTPJLLNCSQI-OKZBNKHCSA-N 2 0 332.513 3.058 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422908459 309375689 /nfs/dbraw/zinc/37/56/89/309375689.db2.gz MPPXXXCCGHFVRW-OALUTQOASA-N 3 0 331.548 3.437 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422912853 309375768 /nfs/dbraw/zinc/37/57/68/309375768.db2.gz XBSGEGWBGSMYLV-BBRMVZONSA-N 2 0 327.875 3.161 20 0 EGADRP CN(C)c1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422915848 309376101 /nfs/dbraw/zinc/37/61/01/309376101.db2.gz ZGIIMOIBOBESSJ-GHTZIAJQSA-N 2 0 337.467 3.098 20 0 EGADRP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422917031 309376114 /nfs/dbraw/zinc/37/61/14/309376114.db2.gz FHTOMIIYDGBDQG-HLIPFELVSA-N 2 0 331.504 3.240 20 0 EGADRP c1cc2c(cc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)OCCO2 ZINC000422930405 309376587 /nfs/dbraw/zinc/37/65/87/309376587.db2.gz UFUUSIMJROMRFW-CEXWTWQISA-N 2 0 344.499 3.291 20 0 EGADRP c1sc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422936363 309377046 /nfs/dbraw/zinc/37/70/46/309377046.db2.gz MEYNPIJJSCGYCB-FGTMMUONSA-N 2 0 330.497 3.191 20 0 EGADRP Fc1cccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000422959334 309378179 /nfs/dbraw/zinc/37/81/79/309378179.db2.gz RPSWZURLDHFXSK-XLIONFOSSA-N 2 0 344.405 3.353 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422962926 309378485 /nfs/dbraw/zinc/37/84/85/309378485.db2.gz HBRSMDQZNUEUOZ-PXNSSMCTSA-N 2 0 326.488 3.220 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1 ZINC000422981287 309379349 /nfs/dbraw/zinc/37/93/49/309379349.db2.gz NPXZVRBYYIHGAH-OZOXKJRCSA-N 2 0 338.451 3.299 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422991920 309379746 /nfs/dbraw/zinc/37/97/46/309379746.db2.gz QLJFQEDEKWNCRF-XYPHTWIQSA-N 2 0 344.421 3.106 20 0 EGADRP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013493 309381001 /nfs/dbraw/zinc/38/10/01/309381001.db2.gz MYLAMNXVMXKICR-ZEIJEMSESA-N 2 0 341.268 3.392 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423013066 309381018 /nfs/dbraw/zinc/38/10/18/309381018.db2.gz LZVGKYVSEOQYCT-IERDGZPVSA-N 2 0 334.467 3.135 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423026297 309381544 /nfs/dbraw/zinc/38/15/44/309381544.db2.gz QANFLZPSWRNQRA-VUCTXSBTSA-N 2 0 325.859 3.307 20 0 EGADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@@H]1CCC[NH2+]1 ZINC000423038718 309382463 /nfs/dbraw/zinc/38/24/63/309382463.db2.gz ZEWQTRQCWBIPGJ-ABAIWWIYSA-N 2 0 336.277 3.203 20 0 EGADRP C[C@@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000423046183 309382788 /nfs/dbraw/zinc/38/27/88/309382788.db2.gz FBRBITHZEMCEFE-COXVUDFISA-N 2 0 343.437 3.428 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423047239 309382899 /nfs/dbraw/zinc/38/28/99/309382899.db2.gz GVRRHCFHUJLZKW-USXIJHARSA-N 2 0 343.437 3.415 20 0 EGADRP CCC(CC)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(OC)c(OC)c1 ZINC000423052305 309383225 /nfs/dbraw/zinc/38/32/25/309383225.db2.gz QFRLMECTZUOHHD-RDJZCZTQSA-N 2 0 334.504 3.479 20 0 EGADRP C[C@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423054498 309383432 /nfs/dbraw/zinc/38/34/32/309383432.db2.gz UUQGXYCFAWDHHJ-RCBQFDQVSA-N 2 0 329.410 3.038 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423062367 309383756 /nfs/dbraw/zinc/38/37/56/309383756.db2.gz MUSXXGLPIXOMLO-JOQOYGCGSA-N 2 0 338.442 3.119 20 0 EGADRP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423064795 309383958 /nfs/dbraw/zinc/38/39/58/309383958.db2.gz ZUGGMIRYXJNEFR-ALGQRKQJSA-N 2 0 328.500 3.145 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092482 309385528 /nfs/dbraw/zinc/38/55/28/309385528.db2.gz CAMMFNMDHJCBNK-DZFGPLHGSA-N 2 0 329.532 3.332 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423103204 309386036 /nfs/dbraw/zinc/38/60/36/309386036.db2.gz KYZHCBMFJDRLNB-QWRGUYRKSA-N 2 0 329.307 3.402 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423113833 309386654 /nfs/dbraw/zinc/38/66/54/309386654.db2.gz ZHRKNIQJBXQCJZ-IFXJQAMLSA-N 2 0 346.906 3.456 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000423127978 309387327 /nfs/dbraw/zinc/38/73/27/309387327.db2.gz CQLWYMNOCQPTNJ-VHDGCEQUSA-N 2 0 328.378 3.437 20 0 EGADRP COc1cc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1Cl ZINC000423132408 309387533 /nfs/dbraw/zinc/38/75/33/309387533.db2.gz JEHMSKNFGRDZKW-LBPRGKRZSA-N 2 0 333.863 3.404 20 0 EGADRP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423146661 309388428 /nfs/dbraw/zinc/38/84/28/309388428.db2.gz PWTGKYHKWJMEMD-LVGQOLGVSA-N 2 0 334.891 3.333 20 0 EGADRP FC(F)(F)c1cccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C2CC2)c1 ZINC000423175357 309389189 /nfs/dbraw/zinc/38/91/89/309389189.db2.gz DTVMWVFASQEGOP-QGZVFWFLSA-N 2 0 341.421 3.041 20 0 EGADRP C[NH2+]CCC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000423202510 309390223 /nfs/dbraw/zinc/39/02/23/309390223.db2.gz QTCODMHUDKEVLT-OAHLLOKOSA-N 2 0 329.282 3.116 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423213984 309390698 /nfs/dbraw/zinc/39/06/98/309390698.db2.gz KWJDNZBAJPRSDU-RGCFKVTRSA-N 2 0 330.472 3.146 20 0 EGADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423217568 309390779 /nfs/dbraw/zinc/39/07/79/309390779.db2.gz QHOFLGNIWWIRFT-GUSVMJMASA-N 3 0 329.532 3.407 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000423222130 309391225 /nfs/dbraw/zinc/39/12/25/309391225.db2.gz ZUCKQPCVPXILCT-XGWLTEMNSA-N 2 0 337.305 3.284 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423249979 309392375 /nfs/dbraw/zinc/39/23/75/309392375.db2.gz PSCVLTBKWQCQDV-JKSUJKDBSA-N 2 0 332.492 3.211 20 0 EGADRP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cccnc2)c(F)c1 ZINC000423263388 309392901 /nfs/dbraw/zinc/39/29/01/309392901.db2.gz XBQYVAOCGBYLQQ-KUHUBIRLSA-N 2 0 331.410 3.429 20 0 EGADRP C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272181 309393303 /nfs/dbraw/zinc/39/33/03/309393303.db2.gz YWXIAZWEYBDXFR-OXQOHEQNSA-N 2 0 333.520 3.185 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423296646 309394307 /nfs/dbraw/zinc/39/43/07/309394307.db2.gz HESSMCNKZQRIGA-JKSUJKDBSA-N 2 0 338.455 3.159 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000423328128 309395381 /nfs/dbraw/zinc/39/53/81/309395381.db2.gz SBSXWNUJDAQEQV-MRXNPFEDSA-N 2 0 329.488 3.044 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000423330903 309395437 /nfs/dbraw/zinc/39/54/37/309395437.db2.gz NWXXPSGQSVFMQO-ZACQAIPSSA-N 2 0 331.504 3.194 20 0 EGADRP C[C@@]1(C[NH2+][C@H]2CCc3sc(Br)cc32)CCC[NH2+]C1 ZINC000423330269 309395565 /nfs/dbraw/zinc/39/55/65/309395565.db2.gz FQDIEKAQRACTFC-SMDDNHRTSA-N 2 0 329.307 3.477 20 0 EGADRP [NH3+][C@H](CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423330162 309395643 /nfs/dbraw/zinc/39/56/43/309395643.db2.gz TYWYXRARCLBHQJ-PLACYPQZSA-N 2 0 327.516 3.004 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423340553 309396134 /nfs/dbraw/zinc/39/61/34/309396134.db2.gz XJTBBXAPYHNMQN-XUVXKRRUSA-N 2 0 327.516 3.148 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(N2CCCC2=O)c1 ZINC000423370833 309397590 /nfs/dbraw/zinc/39/75/90/309397590.db2.gz FYADLPRUHYFGLH-OAHLLOKOSA-N 2 0 335.451 3.267 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423389206 309398181 /nfs/dbraw/zinc/39/81/81/309398181.db2.gz LGXCANLAHCERBQ-CUDHKJQZSA-N 2 0 345.531 3.117 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423400535 309398713 /nfs/dbraw/zinc/39/87/13/309398713.db2.gz VSYMQOZMUHGLAS-OAQYLSRUSA-N 2 0 347.466 3.111 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H](C)[NH3+] ZINC000423402908 309398828 /nfs/dbraw/zinc/39/88/28/309398828.db2.gz HJWHPEDZDBCJKQ-JENIJYKNSA-N 2 0 345.531 3.386 20 0 EGADRP COCC1(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000423409378 309399022 /nfs/dbraw/zinc/39/90/22/309399022.db2.gz PVIBCWUSEYZKAD-HUUCEWRRSA-N 2 0 347.528 3.394 20 0 EGADRP COCC1(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000423409367 309399109 /nfs/dbraw/zinc/39/91/09/309399109.db2.gz PVIBCWUSEYZKAD-CABCVRRESA-N 2 0 347.528 3.394 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(F)cc1 ZINC000423456435 309401027 /nfs/dbraw/zinc/40/10/27/309401027.db2.gz GWCBITICOKRYIY-YSVLISHTSA-N 2 0 330.451 3.488 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000423540582 309405687 /nfs/dbraw/zinc/40/56/87/309405687.db2.gz JXXUUSBUVNIAMO-ABFRBSLYSA-N 2 0 342.405 3.371 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425942142 309495317 /nfs/dbraw/zinc/49/53/17/309495317.db2.gz DQROEJHOWJMCDP-NWDGAFQWSA-N 2 0 331.273 3.307 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000430731327 309616301 /nfs/dbraw/zinc/61/63/01/309616301.db2.gz LSSIRMKKQSWQMH-LMMKCTJWSA-N 2 0 330.520 3.138 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000430834426 309618965 /nfs/dbraw/zinc/61/89/65/309618965.db2.gz CWPYYTIGOKLHDD-WOJBJXKFSA-N 2 0 345.531 3.379 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430946684 309621779 /nfs/dbraw/zinc/62/17/79/309621779.db2.gz BMTPFQWMLZQQQJ-CABCVRRESA-N 2 0 331.504 3.198 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000431343537 309630543 /nfs/dbraw/zinc/63/05/43/309630543.db2.gz GAZOOFZIMSXXHA-GOSISDBHSA-N 2 0 332.488 3.070 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438210354 309809324 /nfs/dbraw/zinc/80/93/24/309809324.db2.gz UVRSUUJZHCTAQG-NJDAHSKKSA-N 2 0 330.516 3.179 20 0 EGADRP CC[C@@H](F)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000440614535 309852822 /nfs/dbraw/zinc/85/28/22/309852822.db2.gz UBLAIVAGSZZEJZ-LSDHHAIUSA-N 2 0 325.447 3.366 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000443859883 309908646 /nfs/dbraw/zinc/90/86/46/309908646.db2.gz SSSRTWPIRZLFGP-VQTJNVASSA-N 2 0 333.564 3.328 20 0 EGADRP CCC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000449107296 310037502 /nfs/dbraw/zinc/03/75/02/310037502.db2.gz PAAJOHPQDUICQV-IBGZPJMESA-N 2 0 330.520 3.282 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCCC1 ZINC000449116285 310038212 /nfs/dbraw/zinc/03/82/12/310038212.db2.gz KTEHYYKDQGWSFE-LJQANCHMSA-N 2 0 331.504 3.036 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000449185067 310043054 /nfs/dbraw/zinc/04/30/54/310043054.db2.gz FTZGHSPMQUAZEK-CDHQVMDDSA-N 2 0 342.483 3.331 20 0 EGADRP CC1(C)CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000449187913 310043262 /nfs/dbraw/zinc/04/32/62/310043262.db2.gz JRZBMLGFTPODNG-KRWDZBQOSA-N 2 0 335.536 3.209 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(F)c1Br ZINC000449222454 310045632 /nfs/dbraw/zinc/04/56/32/310045632.db2.gz MLOHJAAWLXSMHO-CYBMUJFWSA-N 2 0 347.272 3.035 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000449233764 310046615 /nfs/dbraw/zinc/04/66/15/310046615.db2.gz MXXDITHDOPKDCN-UXHICEINSA-N 2 0 328.500 3.456 20 0 EGADRP Cc1cc(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)on1 ZINC000449322181 310053407 /nfs/dbraw/zinc/05/34/07/310053407.db2.gz WNXMPZMISKIXLW-QGZVFWFLSA-N 2 0 327.472 3.211 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)CC1 ZINC000449325832 310053464 /nfs/dbraw/zinc/05/34/64/310053464.db2.gz PXCQHXMWMCNCCJ-LJQANCHMSA-N 2 0 344.499 3.402 20 0 EGADRP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449588512 310074111 /nfs/dbraw/zinc/07/41/11/310074111.db2.gz KYQDZHFEGQRDFH-ALGQRKQJSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@H]1C[N@H+](CC/C=C/c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000450651819 310135262 /nfs/dbraw/zinc/13/52/62/310135262.db2.gz LZCWYOQVJDWWLU-IUYMFKLXSA-N 2 0 327.516 3.190 20 0 EGADRP c1nc(CC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000451044968 310157394 /nfs/dbraw/zinc/15/73/94/310157394.db2.gz CHUDNQDZZRLMAA-QZTJIDSGSA-N 2 0 327.497 3.140 20 0 EGADRP c1nc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000451044966 310157468 /nfs/dbraw/zinc/15/74/68/310157468.db2.gz CHUDNQDZZRLMAA-MSOLQXFVSA-N 2 0 327.497 3.140 20 0 EGADRP CCC1([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000451271281 310169088 /nfs/dbraw/zinc/16/90/88/310169088.db2.gz DEUXZEUNPURAAX-UHFFFAOYSA-N 2 0 343.515 3.211 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)CC1 ZINC000451411075 310176697 /nfs/dbraw/zinc/17/66/97/310176697.db2.gz UMUXVAMKDRUOLZ-CVEARBPZSA-N 2 0 335.458 3.065 20 0 EGADRP CCO[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451522008 310182603 /nfs/dbraw/zinc/18/26/03/310182603.db2.gz ALLZICXHAXKQMF-UHAVEOKRSA-N 2 0 338.536 3.036 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2c(F)cccc2Cl)CC1 ZINC000451987414 310206711 /nfs/dbraw/zinc/20/67/11/310206711.db2.gz OLIHXVFUCQYYCW-UHFFFAOYSA-N 2 0 341.902 3.027 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000453083040 310256756 /nfs/dbraw/zinc/25/67/56/310256756.db2.gz LCVATWCIEQYZSE-GOSISDBHSA-N 2 0 346.515 3.346 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453173280 310262281 /nfs/dbraw/zinc/26/22/81/310262281.db2.gz OEAAPYFYJGSRCL-FCMAGTKHSA-N 2 0 328.500 3.323 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453200045 310263755 /nfs/dbraw/zinc/26/37/55/310263755.db2.gz UMLVSXFXZHISQE-RTWAWAEBSA-N 2 0 328.500 3.312 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453239479 310266132 /nfs/dbraw/zinc/26/61/32/310266132.db2.gz WZAYWYRFAPYUCD-HXUWFJFHSA-N 2 0 331.504 3.471 20 0 EGADRP CC(C)(CO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453274015 310268522 /nfs/dbraw/zinc/26/85/22/310268522.db2.gz JYVNLYFKTISIEN-XUVXKRRUSA-N 2 0 330.516 3.428 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000453310623 310270358 /nfs/dbraw/zinc/27/03/58/310270358.db2.gz FTESBLQJGQXSKT-QRVBRYPASA-N 2 0 338.536 3.062 20 0 EGADRP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)COC1 ZINC000453389748 310274263 /nfs/dbraw/zinc/27/42/63/310274263.db2.gz XOBKCAJVWPBNGF-ZCNNSNEGSA-N 2 0 328.500 3.446 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000453397477 310274757 /nfs/dbraw/zinc/27/47/57/310274757.db2.gz ZQUFVOIAQQJGES-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1cc(Cl)cn1 ZINC000459401313 310550260 /nfs/dbraw/zinc/55/02/60/310550260.db2.gz IWMQSXUUCCEDIL-HOTGVXAUSA-N 2 0 346.906 3.283 20 0 EGADRP C[C@H]1C[C@H](CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)C1 ZINC000490696996 311149608 /nfs/dbraw/zinc/14/96/08/311149608.db2.gz KLYGAIRGQMGVFU-VIYGXFRKSA-N 2 0 335.580 3.407 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H](C)C[NH+](C)C ZINC000491546014 311184294 /nfs/dbraw/zinc/18/42/94/311184294.db2.gz MAKVDMDIKZWRJU-NWDGAFQWSA-N 2 0 331.273 3.307 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)/C=C\C[NH+](C)C)c2)CC1 ZINC000492379473 311243526 /nfs/dbraw/zinc/24/35/26/311243526.db2.gz LEMOJMMNLURUPD-YVMONPNESA-N 2 0 329.488 3.017 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494660785 311500887 /nfs/dbraw/zinc/50/08/87/311500887.db2.gz YKBRLJBAVWYYGV-HUUCEWRRSA-N 2 0 327.513 3.142 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000496542857 311727968 /nfs/dbraw/zinc/72/79/68/311727968.db2.gz NVRDFVLIVNNIIP-ROUUACIJSA-N 2 0 345.487 3.019 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)oc1C ZINC000502478306 311965810 /nfs/dbraw/zinc/96/58/10/311965810.db2.gz AYLYJKDQBWACEO-OAHLLOKOSA-N 2 0 349.519 3.174 20 0 EGADRP C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000510404919 312139878 /nfs/dbraw/zinc/13/98/78/312139878.db2.gz ADNBBEHBJHPIJJ-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cnn(C)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512046032 312174147 /nfs/dbraw/zinc/17/41/47/312174147.db2.gz PUMAUMPPLSVNCB-IEBWSBKVSA-N 2 0 326.488 3.119 20 0 EGADRP FC1(F)CCC[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000513898677 312219793 /nfs/dbraw/zinc/21/97/93/312219793.db2.gz OJNJOSOVCOJRHQ-QGZVFWFLSA-N 2 0 330.463 3.246 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000514233733 312228623 /nfs/dbraw/zinc/22/86/23/312228623.db2.gz DPDCCZDWJTVPQA-ZAVKOYKVSA-N 2 0 336.479 3.446 20 0 EGADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000514856404 312249650 /nfs/dbraw/zinc/24/96/50/312249650.db2.gz ZFTAJHFSMAJWQK-UWJYYQICSA-N 2 0 339.483 3.052 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000516989476 312356801 /nfs/dbraw/zinc/35/68/01/312356801.db2.gz FSFGATUNMYGMLE-KRWDZBQOSA-N 2 0 348.450 3.438 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000517133751 312364976 /nfs/dbraw/zinc/36/49/76/312364976.db2.gz HEEZQANHKRDEQB-RBUKOAKNSA-N 2 0 331.504 3.052 20 0 EGADRP CCOCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000517127813 312365157 /nfs/dbraw/zinc/36/51/57/312365157.db2.gz PGAYHCRYDHQGIO-WFXMLNOXSA-N 2 0 348.531 3.042 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000517444934 312379543 /nfs/dbraw/zinc/37/95/43/312379543.db2.gz DRNILKWSHMLLOE-QUCCMNQESA-N 2 0 345.531 3.230 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2ccccc21 ZINC000519401808 312452596 /nfs/dbraw/zinc/45/25/96/312452596.db2.gz HCAPORSBDCZPLN-VQTJNVASSA-N 2 0 338.451 3.417 20 0 EGADRP O[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000520542572 312510258 /nfs/dbraw/zinc/51/02/58/312510258.db2.gz SMLCYKRQUVZMNI-OAQYLSRUSA-N 2 0 348.506 3.317 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528392581 313081936 /nfs/dbraw/zinc/08/19/36/313081936.db2.gz ULKOZKHIFXQSGY-ICSRJNTNSA-N 2 0 334.479 3.191 20 0 EGADRP Cc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2ccccc2n1 ZINC000530243303 313504012 /nfs/dbraw/zinc/50/40/12/313504012.db2.gz WXFLTFHQUJMIEG-LJQANCHMSA-N 2 0 339.483 3.134 20 0 EGADRP OC1(C(F)(F)F)CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000531737434 313707886 /nfs/dbraw/zinc/70/78/86/313707886.db2.gz POHIXVPQIUDEDO-UHFFFAOYSA-N 2 0 334.426 3.219 20 0 EGADRP CC[C@H](C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000533592303 313924587 /nfs/dbraw/zinc/92/45/87/313924587.db2.gz IMZRJLJEUNSLOW-YTQUADARSA-N 2 0 333.520 3.208 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+]CCCC[NH+]3CCN(C)CC3)oc21 ZINC000538398088 314244639 /nfs/dbraw/zinc/24/46/39/314244639.db2.gz JSQSFDNBRABNRI-MRXNPFEDSA-N 2 0 345.487 3.120 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000539063874 314293715 /nfs/dbraw/zinc/29/37/15/314293715.db2.gz YGJXATVXXFGFIA-PCCBWWKXSA-N 2 0 328.500 3.495 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000539863405 314346376 /nfs/dbraw/zinc/34/63/76/314346376.db2.gz ZZHMRMKWGBXXRR-RBBKRZOGSA-N 2 0 341.543 3.281 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000541583016 314471458 /nfs/dbraw/zinc/47/14/58/314471458.db2.gz PPJAEGIDOBSCGL-IRXDYDNUSA-N 2 0 325.541 3.026 20 0 EGADRP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000550380005 315126344 /nfs/dbraw/zinc/12/63/44/315126344.db2.gz MBXFGOQUNGALRR-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)Nc2cccc(F)c2)cc1 ZINC000551065011 315141267 /nfs/dbraw/zinc/14/12/67/315141267.db2.gz OSOMDFLTTOLDLB-UHFFFAOYSA-N 2 0 329.419 3.006 20 0 EGADRP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552065122 315194979 /nfs/dbraw/zinc/19/49/79/315194979.db2.gz FYSSUZQQWZUPFU-SLFFLAALSA-N 2 0 330.516 3.428 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214353 /nfs/dbraw/zinc/21/43/53/315214353.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 2 0 341.543 3.361 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000553987565 315292103 /nfs/dbraw/zinc/29/21/03/315292103.db2.gz QSTQJJODFPTMEU-DLBZAZTESA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000554882101 315353805 /nfs/dbraw/zinc/35/38/05/315353805.db2.gz GEGOLMBMACXQGL-OAHLLOKOSA-N 2 0 337.458 3.254 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000559984933 315653490 /nfs/dbraw/zinc/65/34/90/315653490.db2.gz AJDCHMMQVIIPDH-RLLQIKCJSA-N 2 0 329.532 3.389 20 0 EGADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000560102068 315660567 /nfs/dbraw/zinc/66/05/67/315660567.db2.gz VLWUJRARJUMDRU-JYRKZWEQSA-N 2 0 329.532 3.389 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)CC(F)(F)F ZINC000562985167 315934777 /nfs/dbraw/zinc/93/47/77/315934777.db2.gz HYPRXSWXFWRCPW-QGZVFWFLSA-N 2 0 344.421 3.466 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC[NH2+]1 ZINC000563435856 316021797 /nfs/dbraw/zinc/02/17/97/316021797.db2.gz WZZNZOJEAXRWLE-HZPDHXFCSA-N 2 0 339.487 3.039 20 0 EGADRP COc1ccc(-c2cnc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000563670477 316053369 /nfs/dbraw/zinc/05/33/69/316053369.db2.gz RQRREPLVZFQMMV-AEFFLSMTSA-N 2 0 341.455 3.314 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)Nc2ccn3ccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000563786151 316068028 /nfs/dbraw/zinc/06/80/28/316068028.db2.gz GKVXQRQDUVAESG-QAPCUYQASA-N 2 0 349.438 3.119 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459657 316155749 /nfs/dbraw/zinc/15/57/49/316155749.db2.gz LVBSBGUUTNKGSX-GGPKGHCWSA-N 2 0 345.531 3.285 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000564587876 316171600 /nfs/dbraw/zinc/17/16/00/316171600.db2.gz ODGBFRGMAFNJGI-OHQAAIJDSA-N 2 0 331.479 3.417 20 0 EGADRP CN(CCC[N@H+](C)Cc1cc(C(F)(F)F)ccc1F)CC[NH+](C)C ZINC000565590718 316343783 /nfs/dbraw/zinc/34/37/83/316343783.db2.gz JEKBEIWHBTYCHS-UHFFFAOYSA-N 2 0 349.416 3.160 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000565652203 316352289 /nfs/dbraw/zinc/35/22/89/316352289.db2.gz AOKZWBKISMVGIB-KNQAVFIVSA-N 2 0 340.511 3.311 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000569744239 316958070 /nfs/dbraw/zinc/95/80/70/316958070.db2.gz LMQQCMXNZFWJAB-XBFCOCLRSA-N 2 0 327.266 3.076 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)C1 ZINC000572617155 317365778 /nfs/dbraw/zinc/36/57/78/317365778.db2.gz TXIASFWFXGSOPP-MOPGFXCFSA-N 2 0 334.467 3.444 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000573815384 317532108 /nfs/dbraw/zinc/53/21/08/317532108.db2.gz PUEJYFRIQWXFDM-POZUXBRTSA-N 2 0 338.455 3.254 20 0 EGADRP CC[C@H](C)C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000171948946 323263860 /nfs/dbraw/zinc/26/38/60/323263860.db2.gz YWWCTTCULBTNCV-INIZCTEOSA-N 2 0 349.544 3.152 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(Cl)c2F)C[C@@H](C)O1 ZINC000177568215 323342127 /nfs/dbraw/zinc/34/21/27/323342127.db2.gz JAQRVUFNLFIXSH-ZIAGYGMSSA-N 2 0 328.859 3.458 20 0 EGADRP CN(c1ccccc1C[NH2+]CCc1cscn1)C1CC[NH+](C)CC1 ZINC000177585014 323342864 /nfs/dbraw/zinc/34/28/64/323342864.db2.gz HXQIALVTWAJNFN-UHFFFAOYSA-N 2 0 344.528 3.006 20 0 EGADRP C[C@H](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379643151 324240443 /nfs/dbraw/zinc/24/04/43/324240443.db2.gz FLYOXXUSSQTRBV-GFOJFJKKSA-N 2 0 329.532 3.407 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382455350 324250884 /nfs/dbraw/zinc/25/08/84/324250884.db2.gz QGIAWAGXAYOXCJ-WBVHZDCISA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)COCc1ccccc1 ZINC000389948785 324282245 /nfs/dbraw/zinc/28/22/45/324282245.db2.gz RSWIJYQCEIEVHL-SFHVURJKSA-N 2 0 339.483 3.493 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000392639749 324289311 /nfs/dbraw/zinc/28/93/11/324289311.db2.gz KLESIFIZOWCDSY-FQEVSTJZSA-N 2 0 337.467 3.354 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000518833431 324390410 /nfs/dbraw/zinc/39/04/10/324390410.db2.gz SREOOWQEDIJNLU-UXHICEINSA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000576304574 324587887 /nfs/dbraw/zinc/58/78/87/324587887.db2.gz GRIKHUSWWYVXGO-HXUWFJFHSA-N 2 0 341.503 3.039 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C1 ZINC000577079791 324739759 /nfs/dbraw/zinc/73/97/59/324739759.db2.gz UVVIFLFIEGTMIL-VQIMIIECSA-N 2 0 332.419 3.290 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cc2c1 ZINC000580297613 325230560 /nfs/dbraw/zinc/23/05/60/325230560.db2.gz MHKIOJUVVCPCIZ-OXJNMPFZSA-N 2 0 344.455 3.160 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)CC3 ZINC000580545613 325264982 /nfs/dbraw/zinc/26/49/82/325264982.db2.gz KRXHIEFXKFZNEJ-HOTGVXAUSA-N 2 0 341.499 3.354 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580769238 325293995 /nfs/dbraw/zinc/29/39/95/325293995.db2.gz IWQBRVGAFZLPTR-GVDBMIGSSA-N 2 0 344.421 3.071 20 0 EGADRP FC(F)n1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580895686 325306699 /nfs/dbraw/zinc/30/66/99/325306699.db2.gz MLQPIAMBHYXUMJ-KGLIPLIRSA-N 2 0 334.414 3.253 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000581368558 325355873 /nfs/dbraw/zinc/35/58/73/325355873.db2.gz OVVZVRLQNMCQOF-SFHVURJKSA-N 2 0 331.504 3.288 20 0 EGADRP Cc1cc(C)n(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000581669780 325381333 /nfs/dbraw/zinc/38/13/33/325381333.db2.gz GWVBOLKEZWUVDI-SFHVURJKSA-N 2 0 346.544 3.324 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000349719292 457025584 /nfs/dbraw/zinc/02/55/84/457025584.db2.gz HHSLNXFVEZTNNE-CQSZACIVSA-N 2 0 325.522 3.031 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000375612627 457989404 /nfs/dbraw/zinc/98/94/04/457989404.db2.gz NWWUBQMLVRLEBZ-ZBFHGGJFSA-N 2 0 336.442 3.276 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000180759726 455241055 /nfs/dbraw/zinc/24/10/55/455241055.db2.gz MZVBUIGTKFPGEK-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496609537 459258326 /nfs/dbraw/zinc/25/83/26/459258326.db2.gz QFMYNZCLFKDHGW-CGZBRXJRSA-N 2 0 341.540 3.388 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000183256995 455262200 /nfs/dbraw/zinc/26/22/00/455262200.db2.gz BWZNPZLBIJRNCT-FQEVSTJZSA-N 2 0 338.499 3.373 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCOc2cccc3cccnc32)CC1 ZINC000183254341 455262476 /nfs/dbraw/zinc/26/24/76/455262476.db2.gz XJIYYCAXWGFUMP-UHFFFAOYSA-N 2 0 327.472 3.468 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173341071 455268973 /nfs/dbraw/zinc/26/89/73/455268973.db2.gz ZNCPKZMDSHMZEB-DLBZAZTESA-N 2 0 339.524 3.001 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000245571805 455333213 /nfs/dbraw/zinc/33/32/13/455333213.db2.gz BXTQKENODYITMZ-DEYYWGMASA-N 2 0 339.886 3.378 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ncc(Br)cc1F ZINC000623540373 460602985 /nfs/dbraw/zinc/60/29/85/460602985.db2.gz WWBCSHOENDKISI-UHFFFAOYSA-N 2 0 332.261 3.193 20 0 EGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181687393 455372350 /nfs/dbraw/zinc/37/23/50/455372350.db2.gz FMENDGNLYWUOOC-KURKYZTESA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000066960825 453890196 /nfs/dbraw/zinc/89/01/96/453890196.db2.gz JVMITMIKVZZZBJ-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1cccc(Cl)c1 ZINC000075834346 453929834 /nfs/dbraw/zinc/92/98/34/453929834.db2.gz ISJMWJYDFJJTHX-INIZCTEOSA-N 2 0 349.906 3.476 20 0 EGADRP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000076330917 453989408 /nfs/dbraw/zinc/98/94/08/453989408.db2.gz PNFKJLGLFHALLC-IBGZPJMESA-N 2 0 346.519 3.129 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000044277026 454094288 /nfs/dbraw/zinc/09/42/88/454094288.db2.gz YZCCHAFGZWCPHD-KRWDZBQOSA-N 2 0 346.500 3.234 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000057169958 454108521 /nfs/dbraw/zinc/10/85/21/454108521.db2.gz ONZDTKXXRZUWLC-FQEVSTJZSA-N 2 0 337.467 3.351 20 0 EGADRP C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000088699584 454117105 /nfs/dbraw/zinc/11/71/05/454117105.db2.gz WIVFCZVNKBJPKA-DYESRHJHSA-N 2 0 346.515 3.454 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000057893738 454155156 /nfs/dbraw/zinc/15/51/56/454155156.db2.gz JZSOSRRAIDJIBF-VQTJNVASSA-N 2 0 339.483 3.099 20 0 EGADRP FC(F)(F)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089552072 454162040 /nfs/dbraw/zinc/16/20/40/454162040.db2.gz ZQZINUYHKGCGTQ-UONOGXRCSA-N 2 0 328.378 3.301 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CN1C1CC1 ZINC000119471968 454197825 /nfs/dbraw/zinc/19/78/25/454197825.db2.gz PWPNVNOIYLKTMQ-IUODEOHRSA-N 2 0 346.862 3.147 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC000130452931 454199578 /nfs/dbraw/zinc/19/95/78/454199578.db2.gz XQOFARYNCKZKFT-UHFFFAOYSA-N 2 0 345.531 3.276 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182065004 455427378 /nfs/dbraw/zinc/42/73/78/455427378.db2.gz WOMQWHTZVFBUTB-KBXCAEBGSA-N 2 0 341.902 3.402 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1C[NH+]1CCCCC1 ZINC000095984903 454252181 /nfs/dbraw/zinc/25/21/81/454252181.db2.gz FJVTXJMZDIYXIH-QGZVFWFLSA-N 2 0 345.531 3.426 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000078637958 454289725 /nfs/dbraw/zinc/28/97/25/454289725.db2.gz MIMNFPDMLAKHMH-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccco1 ZINC000078714796 454305058 /nfs/dbraw/zinc/30/50/58/454305058.db2.gz VHGQJHLZKYSVCO-IAGOWNOFSA-N 2 0 335.492 3.043 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000090524638 454315960 /nfs/dbraw/zinc/31/59/60/454315960.db2.gz CCCTUIOZPKIHPF-GXWYIDHHSA-N 2 0 332.532 3.169 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1N(C)C ZINC000090522884 454316424 /nfs/dbraw/zinc/31/64/24/454316424.db2.gz QIJJKSVPXKLLCC-DQLDELGASA-N 2 0 345.531 3.171 20 0 EGADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090523934 454316458 /nfs/dbraw/zinc/31/64/58/454316458.db2.gz ZIMUJHUSPSLXKB-BEVDRBHNSA-N 2 0 332.488 3.114 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132312958 454329014 /nfs/dbraw/zinc/32/90/14/454329014.db2.gz OTVXBFLKZRPIEQ-NQIIRXRSSA-N 2 0 347.547 3.396 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000132344024 454330408 /nfs/dbraw/zinc/33/04/08/454330408.db2.gz RLFBYKFRKAEFCJ-SJLPKXTDSA-N 2 0 329.488 3.355 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000132344222 454330773 /nfs/dbraw/zinc/33/07/73/454330773.db2.gz RLFBYKFRKAEFCJ-AEFFLSMTSA-N 2 0 329.488 3.355 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000090937181 454352715 /nfs/dbraw/zinc/35/27/15/454352715.db2.gz MRTDTQIFBMZYOR-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)CCO2 ZINC000132876296 454373409 /nfs/dbraw/zinc/37/34/09/454373409.db2.gz XDLKWZPSHOSDDE-OXQOHEQNSA-N 2 0 344.499 3.163 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120994986 454375325 /nfs/dbraw/zinc/37/53/25/454375325.db2.gz VDNFSTKNBIPTGN-MSOLQXFVSA-N 2 0 333.520 3.008 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000091282926 454421678 /nfs/dbraw/zinc/42/16/78/454421678.db2.gz WSNXJNAJLUYUFD-NRFANRHFSA-N 2 0 338.499 3.320 20 0 EGADRP CC(C)CCOCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133428877 454424774 /nfs/dbraw/zinc/42/47/74/454424774.db2.gz ZYKOPHVNNRNWJC-UHFFFAOYSA-N 2 0 347.547 3.369 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)cc1 ZINC000091333137 454427489 /nfs/dbraw/zinc/42/74/89/454427489.db2.gz MQKSNINZQXOFPZ-OAQYLSRUSA-N 2 0 329.532 3.309 20 0 EGADRP CCC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079863780 454491830 /nfs/dbraw/zinc/49/18/30/454491830.db2.gz KUJDGCLPTNPFQC-KRWDZBQOSA-N 2 0 331.504 3.019 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000134564113 454560680 /nfs/dbraw/zinc/56/06/80/454560680.db2.gz SZTBZQQOSYLOGX-UWJYYQICSA-N 2 0 343.515 3.067 20 0 EGADRP C[NH+]1CCC(NCc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000122990756 454589654 /nfs/dbraw/zinc/58/96/54/454589654.db2.gz KQXLILDTCDNZQI-UHFFFAOYSA-N 2 0 340.515 3.413 20 0 EGADRP COc1ccccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587445 454591059 /nfs/dbraw/zinc/59/10/59/454591059.db2.gz CPIUZADUMIRWCU-CALCHBBNSA-N 2 0 332.488 3.016 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccn(C)c3)CC2)c1 ZINC000123068371 454598336 /nfs/dbraw/zinc/59/83/36/454598336.db2.gz ZHROMDFHQFCVIR-UHFFFAOYSA-N 2 0 340.515 3.026 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000080650636 454611507 /nfs/dbraw/zinc/61/15/07/454611507.db2.gz GVJYSIDYZOPLMD-UHFFFAOYSA-N 2 0 325.522 3.083 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000092720626 454616692 /nfs/dbraw/zinc/61/66/92/454616692.db2.gz JMBVPKHOJPQVAE-MSOLQXFVSA-N 2 0 345.531 3.280 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092742392 454624318 /nfs/dbraw/zinc/62/43/18/454624318.db2.gz ZESLXORKOYPBEK-KRWDZBQOSA-N 2 0 345.531 3.280 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123394467 454632242 /nfs/dbraw/zinc/63/22/42/454632242.db2.gz JNVCBFYWJYLPHU-QGZVFWFLSA-N 2 0 331.504 3.376 20 0 EGADRP Nc1ccc(-c2cccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000634994849 460645233 /nfs/dbraw/zinc/64/52/33/460645233.db2.gz OGLVIDYLWLAARE-GOSISDBHSA-N 2 0 336.483 3.152 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ncc(Br)cc1F ZINC000635003242 460646245 /nfs/dbraw/zinc/64/62/45/460646245.db2.gz BCTFXOLHPVDTRF-CKYFFXLPSA-N 2 0 330.245 3.151 20 0 EGADRP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)CC1CC[NH+](C)CC1 ZINC000093089268 454680343 /nfs/dbraw/zinc/68/03/43/454680343.db2.gz ZYGARZXFTMQPJA-UHFFFAOYSA-N 2 0 326.444 3.043 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093372849 454709782 /nfs/dbraw/zinc/70/97/82/454709782.db2.gz UJDMZHBFJBEJGQ-VQTJNVASSA-N 2 0 347.547 3.316 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cn2c(n1)CCCC2 ZINC000152810998 454729016 /nfs/dbraw/zinc/72/90/16/454729016.db2.gz VWIPIQWJMQPAJC-IBGZPJMESA-N 2 0 325.456 3.438 20 0 EGADRP c1ccc([C@@H]2C[C@H]2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735048 454731633 /nfs/dbraw/zinc/73/16/33/454731633.db2.gz DPDSVRVNRBKIPA-FPOVZHCZSA-N 2 0 328.500 3.367 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)ccc1OC(F)F ZINC000635009749 460651535 /nfs/dbraw/zinc/65/15/35/460651535.db2.gz ZIGOFKHPEVJJRJ-OBJOEFQTSA-N 2 0 328.403 3.465 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000162518525 454781160 /nfs/dbraw/zinc/78/11/60/454781160.db2.gz MSRKSXIIBOPHHY-LLVKDONJSA-N 2 0 336.332 3.343 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000138078287 454788421 /nfs/dbraw/zinc/78/84/21/454788421.db2.gz VYPAYAJNRVLOPI-ROUUACIJSA-N 2 0 326.488 3.436 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125071369 454795108 /nfs/dbraw/zinc/79/51/08/454795108.db2.gz DIUKIYVJNLTPLJ-NQIIRXRSSA-N 3 0 329.532 3.492 20 0 EGADRP C[N@@H+]1CCC[C@H](CNCc2ccccc2OCc2cccnc2)C1 ZINC000108427873 454797603 /nfs/dbraw/zinc/79/76/03/454797603.db2.gz GFHNUJRFPHMWPS-QGZVFWFLSA-N 2 0 325.456 3.092 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000266861965 455464746 /nfs/dbraw/zinc/46/47/46/455464746.db2.gz VAMXGHYYKVMANW-ROUUACIJSA-N 2 0 333.520 3.134 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1F ZINC000163489971 454850729 /nfs/dbraw/zinc/85/07/29/454850729.db2.gz XGGAYMPJZKUGBP-HNNXBMFYSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000163797545 454864918 /nfs/dbraw/zinc/86/49/18/454864918.db2.gz AOECVUVEPIHPKO-CQSZACIVSA-N 2 0 338.455 3.464 20 0 EGADRP CCCC[NH+]1CCC([NH2+]C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000164450549 454881987 /nfs/dbraw/zinc/88/19/87/454881987.db2.gz VQTHPBGYMXXIAF-UHFFFAOYSA-N 2 0 336.549 3.274 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154344784 454887296 /nfs/dbraw/zinc/88/72/96/454887296.db2.gz RXWHCWXQLUAVEI-OXJNMPFZSA-N 2 0 333.495 3.066 20 0 EGADRP CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000126465165 454895496 /nfs/dbraw/zinc/89/54/96/454895496.db2.gz AXIXWDJOVWVCAL-HXUWFJFHSA-N 2 0 345.531 3.408 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165292004 454897624 /nfs/dbraw/zinc/89/76/24/454897624.db2.gz WTRORUDDXDWVNW-ICSRJNTNSA-N 2 0 326.488 3.025 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)C[NH+]1CCCC1 ZINC000165281333 454898055 /nfs/dbraw/zinc/89/80/55/454898055.db2.gz RYSRWHRFWDIUNP-CABCVRRESA-N 2 0 329.488 3.299 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000165327106 454898515 /nfs/dbraw/zinc/89/85/15/454898515.db2.gz SXFXRQNORKYESM-DLBZAZTESA-N 2 0 329.488 3.196 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000154502300 454902148 /nfs/dbraw/zinc/90/21/48/454902148.db2.gz OQJOZVSBSMIVDA-HNNXBMFYSA-N 2 0 325.447 3.033 20 0 EGADRP CCOc1ccccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000154531230 454904747 /nfs/dbraw/zinc/90/47/47/454904747.db2.gz OUASQYQHPATGQN-GOSISDBHSA-N 2 0 333.520 3.154 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126675194 454910770 /nfs/dbraw/zinc/91/07/70/454910770.db2.gz HZIFYPGEBVHOQS-FXAWDEMLSA-N 2 0 345.531 3.249 20 0 EGADRP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000167086984 454918358 /nfs/dbraw/zinc/91/83/58/454918358.db2.gz ZMRSUGOEJZUGQO-UHFFFAOYSA-N 2 0 344.503 3.105 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178036801 454928700 /nfs/dbraw/zinc/92/87/00/454928700.db2.gz YQMUNSUQRQRRLF-ZACQAIPSSA-N 2 0 332.488 3.162 20 0 EGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000178033641 454928716 /nfs/dbraw/zinc/92/87/16/454928716.db2.gz CALSXNQYYLMLKY-ZACQAIPSSA-N 2 0 347.503 3.185 20 0 EGADRP COc1ccccc1C[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000178034294 454929042 /nfs/dbraw/zinc/92/90/42/454929042.db2.gz DNYAXPBYUZKVRQ-BZSNNMDCSA-N 2 0 334.504 3.105 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151045816 454929855 /nfs/dbraw/zinc/92/98/55/454929855.db2.gz PAPVDMAWGVSKPY-GPMSIDNRSA-N 2 0 329.488 3.022 20 0 EGADRP COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000154849041 454936091 /nfs/dbraw/zinc/93/60/91/454936091.db2.gz NWFMYUJINMRXHU-DGQTTZFYSA-N 2 0 345.531 3.150 20 0 EGADRP COc1ccc(CC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000170689615 454957863 /nfs/dbraw/zinc/95/78/63/454957863.db2.gz KXCKLJZQPWKMCE-QZTJIDSGSA-N 2 0 346.515 3.059 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000127395075 454960194 /nfs/dbraw/zinc/96/01/94/454960194.db2.gz MORRJAWMFLHJTO-WMLDXEAASA-N 2 0 339.911 3.025 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1)C(C)C ZINC000178833731 454982579 /nfs/dbraw/zinc/98/25/79/454982579.db2.gz RJDVUCRSGKPFDJ-MRXNPFEDSA-N 2 0 331.504 3.116 20 0 EGADRP CC[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCC1 ZINC000151657491 455013919 /nfs/dbraw/zinc/01/39/19/455013919.db2.gz SUAMFNPAGWLJDM-HKUYNNGSSA-N 2 0 333.520 3.152 20 0 EGADRP COc1ccc([C@H](CCC(C)C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151794499 455031779 /nfs/dbraw/zinc/03/17/79/455031779.db2.gz MWZZPLWVZCKACI-NRFANRHFSA-N 2 0 348.531 3.466 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000155687467 455032065 /nfs/dbraw/zinc/03/20/65/455032065.db2.gz KEVPYNASJQQJAW-CABCVRRESA-N 2 0 343.437 3.382 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000151833397 455036636 /nfs/dbraw/zinc/03/66/36/455036636.db2.gz QUVRNTCKVABXOL-INIZCTEOSA-N 2 0 340.920 3.171 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(Cl)s1 ZINC000155727508 455036783 /nfs/dbraw/zinc/03/67/83/455036783.db2.gz XHNLOXGJYOXNJI-KBPBESRZSA-N 2 0 329.941 3.468 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(Cl)ccc1Cl ZINC000151877645 455043712 /nfs/dbraw/zinc/04/37/12/455043712.db2.gz XRZPEBUSODGFEZ-GFCCVEGCSA-N 2 0 331.287 3.348 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155991902 455070005 /nfs/dbraw/zinc/07/00/05/455070005.db2.gz MBMCQZDRFAPLEF-GOSISDBHSA-N 2 0 333.520 3.010 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000180058159 455124823 /nfs/dbraw/zinc/12/48/23/455124823.db2.gz PQDRZTGJYXWJMQ-HXUWFJFHSA-N 2 0 338.499 3.320 20 0 EGADRP C[N@@H+]1CCCC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657174 460665011 /nfs/dbraw/zinc/66/50/11/460665011.db2.gz KUTFAXOZLOFRDX-UXHICEINSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237478940 455188080 /nfs/dbraw/zinc/18/80/80/455188080.db2.gz QUFCQZJSJOAQOL-KBAYOESNSA-N 2 0 329.488 3.375 20 0 EGADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000181753696 455379821 /nfs/dbraw/zinc/37/98/21/455379821.db2.gz CAKFGWFIFVMBQS-MJGOQNOKSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000181922860 455400090 /nfs/dbraw/zinc/40/00/90/455400090.db2.gz DTHFOXCNZCLOBV-GOSISDBHSA-N 2 0 341.902 3.403 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000246128782 455433210 /nfs/dbraw/zinc/43/32/10/455433210.db2.gz DYHNPNRKSAQVJZ-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000246282898 455464232 /nfs/dbraw/zinc/46/42/32/455464232.db2.gz BRBCMIHMXRDZET-SMDDNHRTSA-N 2 0 332.275 3.087 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246291618 455464770 /nfs/dbraw/zinc/46/47/70/455464770.db2.gz NIQUNMAKDQWDRP-FUMNGEBKSA-N 2 0 349.563 3.397 20 0 EGADRP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246314399 455470101 /nfs/dbraw/zinc/47/01/01/455470101.db2.gz DYAXTVJQCYIVNO-MSOLQXFVSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H](O)Cc1ccccc1 ZINC000246335369 455472786 /nfs/dbraw/zinc/47/27/86/455472786.db2.gz GLWISBGDMKYHLL-KSCDAYEDSA-N 2 0 338.495 3.089 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000182277548 455478522 /nfs/dbraw/zinc/47/85/22/455478522.db2.gz DXLFFQMSBZEIKV-AOIWGVFYSA-N 2 0 332.488 3.218 20 0 EGADRP Cc1ccccc1OCCC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191456872 455486497 /nfs/dbraw/zinc/48/64/97/455486497.db2.gz HOQVZTBCMOMBQY-UHFFFAOYSA-N 2 0 347.547 3.112 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)[C@@H](C)C1 ZINC000246839141 455529571 /nfs/dbraw/zinc/52/95/71/455529571.db2.gz CBFMXLIUIHETSC-AAEUAGOBSA-N 2 0 331.323 3.373 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000601019077 460677271 /nfs/dbraw/zinc/67/72/71/460677271.db2.gz GRAZZTPWHGAIDT-PKOBYXMFSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555714 /nfs/dbraw/zinc/55/57/14/455555714.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 2 0 329.532 3.491 20 0 EGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000247145204 455565637 /nfs/dbraw/zinc/56/56/37/455565637.db2.gz WMNVCSLVSMSJRC-FUHIMQAGSA-N 2 0 334.504 3.056 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1nccn1C ZINC000182688384 455568449 /nfs/dbraw/zinc/56/84/49/455568449.db2.gz XJILJIPPRFTZCI-QGZVFWFLSA-N 2 0 332.517 3.435 20 0 EGADRP C[C@@H](NCC(=O)N(C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702365 455600439 /nfs/dbraw/zinc/60/04/39/455600439.db2.gz HWHDBESCSSRRMK-SJORKVTESA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000185893082 455646161 /nfs/dbraw/zinc/64/61/61/455646161.db2.gz RTSRVNYSXCRUGS-UHFFFAOYSA-N 2 0 343.437 3.211 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2cccs2)cc1 ZINC000277728299 455648468 /nfs/dbraw/zinc/64/84/68/455648468.db2.gz NWMISIVQWARBTH-UHFFFAOYSA-N 2 0 343.540 3.484 20 0 EGADRP CC(C)[N@H+](C)CCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268314412 455648589 /nfs/dbraw/zinc/64/85/89/455648589.db2.gz CRLRDOMMSBUUHJ-UHFFFAOYSA-N 3 0 346.563 3.037 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1OC(F)F ZINC000247999939 455667862 /nfs/dbraw/zinc/66/78/62/455667862.db2.gz KHRHYHQXCAFKGA-GJZGRUSLSA-N 2 0 342.430 3.176 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(OCC[NH+](C)C)cc1 ZINC000271532264 455674665 /nfs/dbraw/zinc/67/46/65/455674665.db2.gz RIKNXMLFGGEEIU-KDOFPFPSSA-N 2 0 328.460 3.078 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C)(c3ccccc3)CC2)CC1 ZINC000192777460 455691212 /nfs/dbraw/zinc/69/12/12/455691212.db2.gz KODVYIXUUWEQKV-UHFFFAOYSA-N 2 0 343.559 3.456 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000284472675 455692158 /nfs/dbraw/zinc/69/21/58/455692158.db2.gz UMDKMHHFDZUAKO-LEWJYISDSA-N 2 0 330.516 3.143 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)c3cccnc23)CCCO1 ZINC000277884949 455696753 /nfs/dbraw/zinc/69/67/53/455696753.db2.gz OEBWMGOVMRUWAO-HNNXBMFYSA-N 2 0 347.890 3.479 20 0 EGADRP COc1ccsc1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000186134587 455700054 /nfs/dbraw/zinc/70/00/54/455700054.db2.gz CEXSBOARWPPKQO-KFWWJZLASA-N 2 0 326.506 3.297 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4sccc43)cn2)CC1 ZINC000268792595 455713997 /nfs/dbraw/zinc/71/39/97/455713997.db2.gz YLUCKFPKMQBCDY-QGZVFWFLSA-N 2 0 342.512 3.062 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268835238 455715824 /nfs/dbraw/zinc/71/58/24/455715824.db2.gz DDGHEJMEPYSMGJ-GUXCAODWSA-N 2 0 326.488 3.290 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000271829332 455778632 /nfs/dbraw/zinc/77/86/32/455778632.db2.gz RLBSPPUYHCIWOR-RDJZCZTQSA-N 2 0 331.460 3.168 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186604792 455803957 /nfs/dbraw/zinc/80/39/57/455803957.db2.gz RZNQJBALNMCZLI-QZTJIDSGSA-N 2 0 333.520 3.150 20 0 EGADRP COc1ccc(C(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000285283159 455817396 /nfs/dbraw/zinc/81/73/96/455817396.db2.gz AQNGGVDMEVFTPD-PXNSSMCTSA-N 2 0 342.483 3.217 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000269248881 455821598 /nfs/dbraw/zinc/82/15/98/455821598.db2.gz NZRSSLGUFMUCBG-MSOLQXFVSA-N 2 0 329.488 3.171 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCS2 ZINC000186985826 455860124 /nfs/dbraw/zinc/86/01/24/455860124.db2.gz XWVIRVJNSDOKJG-LJQANCHMSA-N 2 0 347.572 3.456 20 0 EGADRP Clc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1OCCO2 ZINC000261668853 455925274 /nfs/dbraw/zinc/92/52/74/455925274.db2.gz GZGLESIUGSHKEN-MRXNPFEDSA-N 2 0 336.863 3.075 20 0 EGADRP Clc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc2c1OCCO2 ZINC000261668850 455925443 /nfs/dbraw/zinc/92/54/43/455925443.db2.gz GZGLESIUGSHKEN-INIZCTEOSA-N 2 0 336.863 3.075 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CO2 ZINC000296444841 455939904 /nfs/dbraw/zinc/93/99/04/455939904.db2.gz MWCCPMCVFSQAPS-NUJGCVRESA-N 2 0 344.499 3.241 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000272412112 455942424 /nfs/dbraw/zinc/94/24/24/455942424.db2.gz CBWOPSOKVOQCRX-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1c(Cl)cccc1Cl ZINC000261814198 455952003 /nfs/dbraw/zinc/95/20/03/455952003.db2.gz ADHKDFIJYBTAMY-INIZCTEOSA-N 2 0 342.270 3.007 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261858229 455960496 /nfs/dbraw/zinc/96/04/96/455960496.db2.gz FOMYEEDXNNCKNJ-NEPJUHHUSA-N 2 0 344.286 3.381 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1ccc(OC)c(OC)c1OC ZINC000270465636 455960869 /nfs/dbraw/zinc/96/08/69/455960869.db2.gz AWPDBMZQGUFBBL-UHFFFAOYSA-N 2 0 336.476 3.020 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCNC[C@H]2c2ccccc2Cl)CCCCC1 ZINC000261956237 455977550 /nfs/dbraw/zinc/97/75/50/455977550.db2.gz LYTDMJWAZKYBOA-KRWDZBQOSA-N 2 0 349.906 3.112 20 0 EGADRP CCn1nc(C)c(CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000296574183 455977922 /nfs/dbraw/zinc/97/79/22/455977922.db2.gz WJEKHDIUGAZMET-INIZCTEOSA-N 2 0 341.503 3.271 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270545521 455979862 /nfs/dbraw/zinc/97/98/62/455979862.db2.gz YCYCDGGIJSUNKD-HNNXBMFYSA-N 2 0 346.906 3.390 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000272530986 455983334 /nfs/dbraw/zinc/98/33/34/455983334.db2.gz JCNNQLBWCYATRZ-UHFFFAOYSA-N 2 0 337.458 3.255 20 0 EGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000262000535 455984170 /nfs/dbraw/zinc/98/41/70/455984170.db2.gz PPSMLHOJNJUVAN-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262013937 455986581 /nfs/dbraw/zinc/98/65/81/455986581.db2.gz WSGIGWVRCIMRBG-VXGBXAGGSA-N 2 0 344.286 3.381 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3coc(C[NH3+])c3)cc2)C1 ZINC000188060227 455988315 /nfs/dbraw/zinc/98/83/15/455988315.db2.gz AEKRKAVZNQPFAN-AWEZNQCLSA-N 2 0 327.428 3.223 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)CCC2)c1 ZINC000262132563 456001567 /nfs/dbraw/zinc/00/15/67/456001567.db2.gz OCDZYNWPLPOUCW-VQIMIIECSA-N 2 0 332.488 3.051 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262199595 456011268 /nfs/dbraw/zinc/01/12/68/456011268.db2.gz UVHZRNRBTCELFA-DBVUQKKJSA-N 2 0 343.515 3.064 20 0 EGADRP COc1c(O)cccc1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272612931 456013884 /nfs/dbraw/zinc/01/38/84/456013884.db2.gz KSYSOSBDPIMHFC-VQIMIIECSA-N 2 0 340.467 3.401 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000286299352 456019187 /nfs/dbraw/zinc/01/91/87/456019187.db2.gz WOZLGXGQHYGNLS-MHTWAQMVSA-N 2 0 328.500 3.303 20 0 EGADRP COC(=O)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000296744609 456026874 /nfs/dbraw/zinc/02/68/74/456026874.db2.gz JZLILWIQOSLUAP-RHSMWYFYSA-N 2 0 336.863 3.043 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272653803 456027422 /nfs/dbraw/zinc/02/74/22/456027422.db2.gz GHUYVYPEYQIHCD-PCCBWWKXSA-N 2 0 338.499 3.082 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000262716339 456054608 /nfs/dbraw/zinc/05/46/08/456054608.db2.gz VMDJITNTTBEEMX-FQEVSTJZSA-N 2 0 331.504 3.196 20 0 EGADRP NC(=O)C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000332548396 456089741 /nfs/dbraw/zinc/08/97/41/456089741.db2.gz OFZZZACDHIVCIY-SFHVURJKSA-N 2 0 337.508 3.094 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000271074708 456118416 /nfs/dbraw/zinc/11/84/16/456118416.db2.gz WNEKRKOZKATZOL-QGZVFWFLSA-N 2 0 326.431 3.052 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000263317222 456125166 /nfs/dbraw/zinc/12/51/66/456125166.db2.gz ZQYIQYDTPVFDMO-IEBWSBKVSA-N 2 0 347.528 3.082 20 0 EGADRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000271189943 456163464 /nfs/dbraw/zinc/16/34/64/456163464.db2.gz PLAJWBCKBHXOBP-UHFFFAOYSA-N 2 0 332.488 3.080 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1c(Cl)cccc1-n1ccnc1 ZINC000297280125 456170183 /nfs/dbraw/zinc/17/01/83/456170183.db2.gz LHEUBMSPXSENEC-JKIFEVAISA-N 3 0 332.879 3.344 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333190999 456175002 /nfs/dbraw/zinc/17/50/02/456175002.db2.gz UZWQIOIXEVKJAU-CVEARBPZSA-N 2 0 337.533 3.159 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273144443 456190789 /nfs/dbraw/zinc/19/07/89/456190789.db2.gz FZLXOAMUFXXASG-KRWDZBQOSA-N 2 0 334.504 3.464 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189004228 456195558 /nfs/dbraw/zinc/19/55/58/456195558.db2.gz VJQBARPVSNQEHD-QGZVFWFLSA-N 2 0 344.478 3.425 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000236891831 456198354 /nfs/dbraw/zinc/19/83/54/456198354.db2.gz DPCILXPREVTPHM-FCEWJHQRSA-N 2 0 331.504 3.051 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000273179572 456203248 /nfs/dbraw/zinc/20/32/48/456203248.db2.gz GIHRYCBKGHCGOV-JKSUJKDBSA-N 2 0 335.492 3.008 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000301762332 456207941 /nfs/dbraw/zinc/20/79/41/456207941.db2.gz NESUWFXNJLJNAJ-DLBZAZTESA-N 2 0 339.524 3.096 20 0 EGADRP C[N@H+](CCCNC(=O)CC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237066945 456225908 /nfs/dbraw/zinc/22/59/08/456225908.db2.gz LLOHQTHKINQPSD-IBGZPJMESA-N 2 0 331.504 3.237 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)CC1 ZINC000189114298 456230854 /nfs/dbraw/zinc/23/08/54/456230854.db2.gz VJMWXFHCFYVXLH-HXUWFJFHSA-N 2 0 328.500 3.456 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000297747219 456286510 /nfs/dbraw/zinc/28/65/10/456286510.db2.gz UAHBPAXFLYIKTP-RTBURBONSA-N 2 0 336.907 3.240 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCc3cccc(Cl)c3)CC2)CC1 ZINC000297770145 456291255 /nfs/dbraw/zinc/29/12/55/456291255.db2.gz MBJBPNFMUXPLGQ-UHFFFAOYSA-N 2 0 349.950 3.373 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275721627 456296511 /nfs/dbraw/zinc/29/65/11/456296511.db2.gz NRQCPSLEBVZINB-HLAWJBBLSA-N 2 0 329.532 3.013 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000290337021 456296770 /nfs/dbraw/zinc/29/67/70/456296770.db2.gz KUGPBFREQVRJSK-UHFFFAOYSA-N 2 0 329.532 3.188 20 0 EGADRP C[C@H](CCN1CCOCC1)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000352780914 456300012 /nfs/dbraw/zinc/30/00/12/456300012.db2.gz RIFGETVMJORTMX-OAHLLOKOSA-N 2 0 347.484 3.026 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000340208936 456316802 /nfs/dbraw/zinc/31/68/02/456316802.db2.gz ZTIWNPKPBXOHIX-CTNGQTDRSA-N 2 0 345.531 3.136 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Br)o3)C2)CC1 ZINC000290492856 456343503 /nfs/dbraw/zinc/34/35/03/456343503.db2.gz OSHISEKKLBAWAO-CYBMUJFWSA-N 2 0 327.266 3.206 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC23CCCC3)cc1 ZINC000340301614 456372221 /nfs/dbraw/zinc/37/22/21/456372221.db2.gz NHYLKJQTWBPPQO-IBGZPJMESA-N 2 0 343.515 3.181 20 0 EGADRP Cc1cc(C)n(CC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000276196199 456411294 /nfs/dbraw/zinc/41/12/94/456411294.db2.gz IZLKSJCMOBMUFA-IRXDYDNUSA-N 2 0 340.515 3.246 20 0 EGADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)C[C@H]1c1ccccc1 ZINC000340372205 456420023 /nfs/dbraw/zinc/42/00/23/456420023.db2.gz NPBKYGWBQLRGJM-JBACZVJFSA-N 2 0 327.516 3.428 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000276250435 456424840 /nfs/dbraw/zinc/42/48/40/456424840.db2.gz QMFFUIVTWASMMV-UHFFFAOYSA-N 2 0 333.520 3.331 20 0 EGADRP Cc1ccc(CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000303766405 456485186 /nfs/dbraw/zinc/48/51/86/456485186.db2.gz MAOLZUWEPJOSKW-KDURUIRLSA-N 2 0 330.516 3.359 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]CCCC[NH+](C)C)cc2)cs1 ZINC000340426008 456452423 /nfs/dbraw/zinc/45/24/23/456452423.db2.gz CANHJAYJSMJLMP-UHFFFAOYSA-N 2 0 333.501 3.462 20 0 EGADRP COc1ccc(OCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298450696 456461868 /nfs/dbraw/zinc/46/18/68/456461868.db2.gz NXDXNKCXMGAPNH-UHFFFAOYSA-N 2 0 341.455 3.118 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@H]3CCCC34CCOCC4)CC2)cc[nH+]1 ZINC000282291206 456468331 /nfs/dbraw/zinc/46/83/31/456468331.db2.gz SEJZBRMRZJXMBH-IBGZPJMESA-N 2 0 329.488 3.237 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000340471417 456479458 /nfs/dbraw/zinc/47/94/58/456479458.db2.gz WLOAPTZLOSPJMC-HXUWFJFHSA-N 2 0 326.488 3.293 20 0 EGADRP O[C@@H](C[NH2+]C1CCN(C2CC2)CC1)c1c(Cl)cccc1Cl ZINC000298534919 456483004 /nfs/dbraw/zinc/48/30/04/456483004.db2.gz SJXZPJKEHFBSTL-HNNXBMFYSA-N 2 0 329.271 3.243 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000298569641 456492408 /nfs/dbraw/zinc/49/24/08/456492408.db2.gz WWDLHGONMUAPKR-UHFFFAOYSA-N 2 0 338.499 3.162 20 0 EGADRP c1ccc2c(c1)CC[NH+](CCOCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000343286501 456509524 /nfs/dbraw/zinc/50/95/24/456509524.db2.gz MSUORUDHFGJNTP-UHFFFAOYSA-N 2 0 336.479 3.120 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]C2c3ccccc3-c3ccccc32)CC1(C)C ZINC000282498888 456533606 /nfs/dbraw/zinc/53/36/06/456533606.db2.gz XYNTXUGJPBSSBZ-UHFFFAOYSA-N 2 0 335.495 3.372 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000305503896 456546881 /nfs/dbraw/zinc/54/68/81/456546881.db2.gz LMWZPWSBZNEHHA-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP COc1cccc(Cl)c1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353222451 456569983 /nfs/dbraw/zinc/56/99/83/456569983.db2.gz GUUNPVIURJUECA-UHFFFAOYSA-N 2 0 328.909 3.266 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000310059351 456579230 /nfs/dbraw/zinc/57/92/30/456579230.db2.gz XRUNFMZVLLDVJX-CVEARBPZSA-N 2 0 339.524 3.001 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000348262852 456579919 /nfs/dbraw/zinc/57/99/19/456579919.db2.gz QQDKDDOKHQQRTC-UHFFFAOYSA-N 2 0 349.519 3.146 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)N1CC[NH+](C)CC1 ZINC000353277011 456605023 /nfs/dbraw/zinc/60/50/23/456605023.db2.gz WZVOWKASVBRZAM-WBVHZDCISA-N 2 0 331.495 3.062 20 0 EGADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000340690929 456629678 /nfs/dbraw/zinc/62/96/78/456629678.db2.gz KTXYPZRXVWADIE-NJYVYQBISA-N 2 0 328.500 3.278 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000338112304 456664386 /nfs/dbraw/zinc/66/43/86/456664386.db2.gz LBBCFWCLYVOYOY-FGTMMUONSA-N 2 0 345.531 3.406 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000338166229 456678834 /nfs/dbraw/zinc/67/88/34/456678834.db2.gz PAWCPBSDFPFVOS-UHFFFAOYSA-N 2 0 333.520 3.377 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC000338179719 456687035 /nfs/dbraw/zinc/68/70/35/456687035.db2.gz DHSQRUVBOWQYTO-IRXDYDNUSA-N 2 0 331.504 3.083 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccnc(Cl)c1Cl ZINC000291593910 456690035 /nfs/dbraw/zinc/69/00/35/456690035.db2.gz PZXXKPJITHTPAT-UHFFFAOYSA-N 2 0 347.334 3.094 20 0 EGADRP C[NH+](C)[C@@H]1CCCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171227 456705929 /nfs/dbraw/zinc/70/59/29/456705929.db2.gz KSSWGCPRCMBBFQ-UXHICEINSA-N 2 0 343.515 3.156 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000343563183 456708518 /nfs/dbraw/zinc/70/85/18/456708518.db2.gz GIHMSFBIKKXMSH-OAHLLOKOSA-N 2 0 343.471 3.099 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000353545572 456747854 /nfs/dbraw/zinc/74/78/54/456747854.db2.gz SEPFNSVWANBRGE-UHFFFAOYSA-N 2 0 339.483 3.291 20 0 EGADRP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000338424505 456810810 /nfs/dbraw/zinc/81/08/10/456810810.db2.gz NCGYILGZGNDISY-UHFFFAOYSA-N 2 0 326.488 3.360 20 0 EGADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353626500 456812527 /nfs/dbraw/zinc/81/25/27/456812527.db2.gz IONNICVTUBWYDO-OAHLLOKOSA-N 2 0 338.492 3.239 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000348676020 456812821 /nfs/dbraw/zinc/81/28/21/456812821.db2.gz BVEHLUZKYNUZJJ-RCCFBDPRSA-N 2 0 334.504 3.076 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292025035 456834025 /nfs/dbraw/zinc/83/40/25/456834025.db2.gz FXGDBIIAMYAZBN-KRWDZBQOSA-N 2 0 347.528 3.015 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000292028532 456834900 /nfs/dbraw/zinc/83/49/00/456834900.db2.gz GJRIDUUOZHBADT-FQEVSTJZSA-N 2 0 343.515 3.067 20 0 EGADRP CSC1(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC[NH+](C)CC1 ZINC000353661707 456839131 /nfs/dbraw/zinc/83/91/31/456839131.db2.gz QCDQINFRPMIYLD-AWEZNQCLSA-N 2 0 329.513 3.052 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[NH+](CC)CC)c2ccccc21 ZINC000338686513 456853182 /nfs/dbraw/zinc/85/31/82/456853182.db2.gz HIRBJJZEYRKLDG-OALUTQOASA-N 2 0 332.488 3.490 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000292192581 456881176 /nfs/dbraw/zinc/88/11/76/456881176.db2.gz XPIIRKKCJLSOHQ-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000339051804 456916661 /nfs/dbraw/zinc/91/66/61/456916661.db2.gz VEQIFKYIBCGALG-UHFFFAOYSA-N 2 0 346.519 3.334 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000345142775 456940622 /nfs/dbraw/zinc/94/06/22/456940622.db2.gz ONHPOYQQEHPLGY-UHFFFAOYSA-N 2 0 332.451 3.377 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000349388428 456960912 /nfs/dbraw/zinc/96/09/12/456960912.db2.gz ZACYAQZOKDDVTL-MRXNPFEDSA-N 2 0 332.488 3.326 20 0 EGADRP Cc1nn(C)cc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000354044224 457029475 /nfs/dbraw/zinc/02/94/75/457029475.db2.gz HBSZVYHZLAFGQU-UHFFFAOYSA-N 2 0 338.499 3.217 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358918033 457034763 /nfs/dbraw/zinc/03/47/63/457034763.db2.gz VUIJGRYBRDMENB-LJQANCHMSA-N 2 0 326.488 3.428 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000356608297 457081486 /nfs/dbraw/zinc/08/14/86/457081486.db2.gz UJHSMDLURAYEHC-AWEZNQCLSA-N 2 0 337.895 3.249 20 0 EGADRP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000359676307 457110136 /nfs/dbraw/zinc/11/01/36/457110136.db2.gz KUMTWFVCBIOJHM-CQSZACIVSA-N 2 0 344.425 3.044 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000354205487 457130353 /nfs/dbraw/zinc/13/03/53/457130353.db2.gz HASABEFGFXOXLV-UHOSZYNNSA-N 2 0 330.520 3.138 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C(C)C)cc1 ZINC000356747765 457148129 /nfs/dbraw/zinc/14/81/29/457148129.db2.gz UJRJQTTTWXIMBS-KRWDZBQOSA-N 2 0 333.520 3.377 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000356773467 457160816 /nfs/dbraw/zinc/16/08/16/457160816.db2.gz LSLLTOMYBKKPRG-APWZRJJASA-N 2 0 349.494 3.025 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000354362491 457186718 /nfs/dbraw/zinc/18/67/18/457186718.db2.gz WTBJRZCMKVSHEB-UXHICEINSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@@H]1C[C@H](N(C)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000354400519 457199791 /nfs/dbraw/zinc/19/97/91/457199791.db2.gz PDXRNIUNPRGLOA-TZIWHRDSSA-N 2 0 329.532 3.457 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347051845 457204561 /nfs/dbraw/zinc/20/45/61/457204561.db2.gz RLWNQJVZPLFNPO-VQIMIIECSA-N 2 0 325.456 3.220 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CN3CC[NH2+]CC34CCCCC4)sc2C1 ZINC000347113849 457236899 /nfs/dbraw/zinc/23/68/99/457236899.db2.gz SCXAJDRVMHABLI-UHFFFAOYSA-N 2 0 348.560 3.018 20 0 EGADRP c1coc([C@@H]2CC[NH+](CCOCC[N@@H+]3CC[C@H](c4ccco4)C3)C2)c1 ZINC000363314412 457289667 /nfs/dbraw/zinc/28/96/67/457289667.db2.gz XEQGCIKVNFAPOJ-HDICACEKSA-N 2 0 344.455 3.168 20 0 EGADRP c1nc(-c2ccccn2)sc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357043655 457294305 /nfs/dbraw/zinc/29/43/05/457294305.db2.gz GVJRRGTVOHHTNQ-HNNXBMFYSA-N 2 0 328.485 3.027 20 0 EGADRP [NH3+]CCOCC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000357075415 457309160 /nfs/dbraw/zinc/30/91/60/457309160.db2.gz HPUGIKGSWADPJT-UHFFFAOYSA-N 2 0 339.892 3.104 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000354717562 457314897 /nfs/dbraw/zinc/31/48/97/457314897.db2.gz MDSRDIBBFXHIJR-FQEVSTJZSA-N 2 0 345.531 3.265 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000342586641 457381897 /nfs/dbraw/zinc/38/18/97/457381897.db2.gz MZBGVDWCDNRBSF-AQNXPRMDSA-N 2 0 343.515 3.030 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)cc1 ZINC000425059131 457423907 /nfs/dbraw/zinc/42/39/07/457423907.db2.gz QMEWUQLHEYRLIO-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccn(-c4ccccc4F)n3)C2)CC1 ZINC000374074517 457471005 /nfs/dbraw/zinc/47/10/05/457471005.db2.gz LDSWKXDAADGAFM-UHFFFAOYSA-N 2 0 342.462 3.319 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347516905 457479098 /nfs/dbraw/zinc/47/90/98/457479098.db2.gz HERGSMXIEWEBGV-BBWFWOEESA-N 2 0 325.541 3.027 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000364113456 457483209 /nfs/dbraw/zinc/48/32/09/457483209.db2.gz DUEBTOVJXZUEMV-GOSISDBHSA-N 2 0 347.528 3.015 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)C[NH2+]C2 ZINC000347524593 457485409 /nfs/dbraw/zinc/48/54/09/457485409.db2.gz KTKCQSAYOVXAMW-NRFANRHFSA-N 2 0 349.478 3.074 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000370010215 457501636 /nfs/dbraw/zinc/50/16/36/457501636.db2.gz SGQVXTPCNANUDA-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP COCc1ccccc1/C=C(\C)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000352667755 457516129 /nfs/dbraw/zinc/51/61/29/457516129.db2.gz NCOZLVJZFXCNQT-QGOAFFKASA-N 2 0 346.515 3.061 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000401130668 457523752 /nfs/dbraw/zinc/52/37/52/457523752.db2.gz NQDBLWSSNBFNJB-RSRIQPTJSA-N 2 0 327.516 3.017 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1(C)C ZINC000374232813 457535713 /nfs/dbraw/zinc/53/57/13/457535713.db2.gz XOMOGOWKOGVTIX-UHFFFAOYSA-N 2 0 335.923 3.202 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000374230714 457535847 /nfs/dbraw/zinc/53/58/47/457535847.db2.gz NPTAQDHHIKGPNM-VQTJNVASSA-N 2 0 344.547 3.033 20 0 EGADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000374255468 457547244 /nfs/dbraw/zinc/54/72/44/457547244.db2.gz RDCUUFADIQBZMU-CTNGQTDRSA-N 2 0 329.532 3.070 20 0 EGADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000374255480 457547954 /nfs/dbraw/zinc/54/79/54/457547954.db2.gz RDCUUFADIQBZMU-FPOVZHCZSA-N 2 0 329.532 3.070 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000357502101 457567689 /nfs/dbraw/zinc/56/76/89/457567689.db2.gz QXNWQOBJOAKXDX-IAGOWNOFSA-N 2 0 333.476 3.177 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361173384 457629522 /nfs/dbraw/zinc/62/95/22/457629522.db2.gz GRVVUXSMDITDJV-QFBILLFUSA-N 2 0 331.504 3.048 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000374445364 457630121 /nfs/dbraw/zinc/63/01/21/457630121.db2.gz YXZVKDLNZIUNBR-GOSISDBHSA-N 2 0 344.890 3.175 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000361217225 457649654 /nfs/dbraw/zinc/64/96/54/457649654.db2.gz QGONFORSMLUHGC-ROUUACIJSA-N 2 0 338.499 3.035 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(Cl)c1 ZINC000370633034 457687333 /nfs/dbraw/zinc/68/73/33/457687333.db2.gz FIPABVLOXWRWEC-UKRRQHHQSA-N 2 0 339.886 3.298 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000370653444 457692026 /nfs/dbraw/zinc/69/20/26/457692026.db2.gz LZIFVBNBSTZBBA-AZUAARDMSA-N 2 0 326.488 3.373 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000357809309 457698387 /nfs/dbraw/zinc/69/83/87/457698387.db2.gz WCESYVSVIQTRKR-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000358013924 457739810 /nfs/dbraw/zinc/73/98/10/457739810.db2.gz LYNINGOUFQGMGP-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CN(Cc1ccc2ccccc2c1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433165934 457767589 /nfs/dbraw/zinc/76/75/89/457767589.db2.gz WJOPNYHVZNSSEM-UHFFFAOYSA-N 2 0 339.483 3.002 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000361611389 457804566 /nfs/dbraw/zinc/80/45/66/457804566.db2.gz RQNNPOSHAMTJDO-OAHLLOKOSA-N 2 0 338.455 3.167 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000361611551 457804925 /nfs/dbraw/zinc/80/49/25/457804925.db2.gz SOODPTZAVDRXEF-HKUYNNGSSA-N 2 0 343.515 3.237 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000358161859 457825873 /nfs/dbraw/zinc/82/58/73/457825873.db2.gz RMZPTCOIBOFADI-GOEBONIOSA-N 2 0 330.501 3.068 20 0 EGADRP CC(C)CSCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375245954 457848675 /nfs/dbraw/zinc/84/86/75/457848675.db2.gz QMRFIRQVNOFDHP-UHFFFAOYSA-N 2 0 341.609 3.115 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000411369371 457866580 /nfs/dbraw/zinc/86/65/80/457866580.db2.gz YAPRYZCESVIZOW-ZWKOTPCHSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000411369364 457866757 /nfs/dbraw/zinc/86/67/57/457866757.db2.gz YAPRYZCESVIZOW-MSOLQXFVSA-N 2 0 337.552 3.170 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)ccn1 ZINC000358266336 457898559 /nfs/dbraw/zinc/89/85/59/457898559.db2.gz MBEJYBHWIFKNDT-GOSISDBHSA-N 2 0 345.874 3.453 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000366950875 457913954 /nfs/dbraw/zinc/91/39/54/457913954.db2.gz HMPCDIYDFFFNQN-UHFFFAOYSA-N 2 0 336.549 3.297 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(C)ccc1OC ZINC000371450465 457936121 /nfs/dbraw/zinc/93/61/21/457936121.db2.gz ZKIUVJYPYLVBGA-FXAWDEMLSA-N 2 0 345.531 3.213 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427103797 457944022 /nfs/dbraw/zinc/94/40/22/457944022.db2.gz ZBLJGVSOCOZCCO-RDTXWAMCSA-N 2 0 330.863 3.018 20 0 EGADRP Cc1cccc2ncc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)n21 ZINC000375674216 458016049 /nfs/dbraw/zinc/01/60/49/458016049.db2.gz AHVVPMPOFVJCRI-LJQANCHMSA-N 2 0 334.467 3.254 20 0 EGADRP CCC[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503865 458042969 /nfs/dbraw/zinc/04/29/69/458042969.db2.gz HDUZJLQHPVDJNI-IEBWSBKVSA-N 2 0 343.515 3.108 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1F ZINC000358505592 458044203 /nfs/dbraw/zinc/04/42/03/458044203.db2.gz KITBUJRQRNKSQA-AWEZNQCLSA-N 2 0 344.434 3.321 20 0 EGADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000434783158 458050029 /nfs/dbraw/zinc/05/00/29/458050029.db2.gz KLMZCDIEDDUWKM-DOTOQJQBSA-N 2 0 337.552 3.027 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412109537 458094377 /nfs/dbraw/zinc/09/43/77/458094377.db2.gz PBUXFYGCTZLPRL-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375908518 458118995 /nfs/dbraw/zinc/11/89/95/458118995.db2.gz XAAKSAAHTDJEFJ-FQEVSTJZSA-N 2 0 345.531 3.074 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435371398 458121814 /nfs/dbraw/zinc/12/18/14/458121814.db2.gz MRIIVZCCEUNAEG-QAPCUYQASA-N 2 0 325.456 3.316 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373771 458125071 /nfs/dbraw/zinc/12/50/71/458125071.db2.gz FTYHTXMTJQFEFQ-TZMCWYRMSA-N 2 0 338.377 3.060 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435377141 458125987 /nfs/dbraw/zinc/12/59/87/458125987.db2.gz YJTFVKZOHZZINK-SJLPKXTDSA-N 2 0 347.466 3.103 20 0 EGADRP C[C@H](C[NH3+])N(C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435379313 458128794 /nfs/dbraw/zinc/12/87/94/458128794.db2.gz LZPNSRKYMVNEAW-CYBMUJFWSA-N 2 0 331.847 3.371 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000358733685 458178484 /nfs/dbraw/zinc/17/84/84/458178484.db2.gz IBVXCABSTUWNCR-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000412378345 458186029 /nfs/dbraw/zinc/18/60/29/458186029.db2.gz LXSCXSYCRPETBH-HKUYNNGSSA-N 2 0 329.488 3.439 20 0 EGADRP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000372095510 458192315 /nfs/dbraw/zinc/19/23/15/458192315.db2.gz OSDBYDXNGWQXNZ-VXKWHMMOSA-N 2 0 342.527 3.488 20 0 EGADRP COCC1(C)CC[NH+](C/C=C/C[NH+]2CCC(C)(COC)CC2)CC1 ZINC000358754126 458194768 /nfs/dbraw/zinc/19/47/68/458194768.db2.gz UBANTZJFRJGHPX-AATRIKPKSA-N 2 0 338.536 3.040 20 0 EGADRP COCC1(C)CC[NH+](CC(C)C[NH+]2CCC(C)(COC)CC2)CC1 ZINC000358772612 458208063 /nfs/dbraw/zinc/20/80/63/458208063.db2.gz SNQIEZITOHACHU-UHFFFAOYSA-N 2 0 340.552 3.120 20 0 EGADRP FC(F)(F)c1ccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000428886856 458228284 /nfs/dbraw/zinc/22/82/84/458228284.db2.gz JDXPLDRXTMBXEA-GFCCVEGCSA-N 2 0 348.434 3.357 20 0 EGADRP c1ccc(CN2CCC[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446884428 458242597 /nfs/dbraw/zinc/24/25/97/458242597.db2.gz OGMYMMCLGUXKJY-FQEVSTJZSA-N 2 0 327.516 3.115 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1C[NH+](C)C ZINC000362526086 458245919 /nfs/dbraw/zinc/24/59/19/458245919.db2.gz PRFWSTSBGALDFT-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c1 ZINC000436266276 458278881 /nfs/dbraw/zinc/27/88/81/458278881.db2.gz NWWKBMOGZLFSAN-UHFFFAOYSA-N 2 0 326.469 3.490 20 0 EGADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000372333689 458279981 /nfs/dbraw/zinc/27/99/81/458279981.db2.gz RXCPUMIKQMCDDW-UGKGYDQZSA-N 2 0 343.559 3.343 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000429392147 458327967 /nfs/dbraw/zinc/32/79/67/458327967.db2.gz DPCIKXOMQJXXAC-QGZVFWFLSA-N 2 0 331.504 3.038 20 0 EGADRP CCOc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(Cl)c1O ZINC000459354665 458340879 /nfs/dbraw/zinc/34/08/79/458340879.db2.gz JLMKCCWNOMFJHD-GDBMZVCRSA-N 2 0 338.879 3.360 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H]1SC ZINC000459396578 458358549 /nfs/dbraw/zinc/35/85/49/458358549.db2.gz QHMVZKUTQJZWRE-VAMGGRTRSA-N 2 0 348.556 3.397 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](CNCc3cnc(C4CC4)nc3)C2)cc1 ZINC000459403075 458359364 /nfs/dbraw/zinc/35/93/64/458359364.db2.gz KNIYILWFYFAREP-GOSISDBHSA-N 2 0 336.483 3.008 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459456231 458377520 /nfs/dbraw/zinc/37/75/20/458377520.db2.gz ZJFFNHMUQJPEOO-MOPGFXCFSA-N 2 0 336.907 3.240 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000459455298 458377734 /nfs/dbraw/zinc/37/77/34/458377734.db2.gz YXHYQZRRTDBNIR-QGZVFWFLSA-N 2 0 329.831 3.427 20 0 EGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000448073122 458387155 /nfs/dbraw/zinc/38/71/55/458387155.db2.gz BJYAOPPGJKGEGL-UHFFFAOYSA-N 2 0 332.488 3.066 20 0 EGADRP CCOC1(C)CC[NH+](Cc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000430086166 458399206 /nfs/dbraw/zinc/39/92/06/458399206.db2.gz QDJHJEDUCAQHEK-UHFFFAOYSA-N 2 0 345.531 3.220 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423461428 458436424 /nfs/dbraw/zinc/43/64/24/458436424.db2.gz CMTQILYQBSRMJF-QFUCXCTJSA-N 2 0 339.483 3.481 20 0 EGADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1-n1ccnn1 ZINC000423504787 458444966 /nfs/dbraw/zinc/44/49/66/458444966.db2.gz HCTTXMGOVRKPTL-APWZRJJASA-N 2 0 335.455 3.398 20 0 EGADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000423515954 458448984 /nfs/dbraw/zinc/44/89/84/458448984.db2.gz XROGFRXOQHMYFQ-BLLLJJGKSA-N 2 0 332.469 3.448 20 0 EGADRP NC1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000423530022 458452640 /nfs/dbraw/zinc/45/26/40/458452640.db2.gz QWUGDHKNSKZPLH-WOJBJXKFSA-N 2 0 347.522 3.488 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000423541796 458455339 /nfs/dbraw/zinc/45/53/39/458455339.db2.gz ACADIFOQHCGGST-SESVDKBCSA-N 2 0 327.516 3.019 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423554626 458456998 /nfs/dbraw/zinc/45/69/98/458456998.db2.gz WZQFZOLYKCJDEV-SQGPQFPESA-N 2 0 347.934 3.282 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC(F)F ZINC000459722831 458457297 /nfs/dbraw/zinc/45/72/97/458457297.db2.gz CBNSBKMWICYYOF-CYBMUJFWSA-N 2 0 328.403 3.118 20 0 EGADRP CCc1ccc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)o1 ZINC000423564058 458457770 /nfs/dbraw/zinc/45/77/70/458457770.db2.gz KXQABEMFHOYEDW-KRWDZBQOSA-N 2 0 341.499 3.486 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459727987 458458991 /nfs/dbraw/zinc/45/89/91/458458991.db2.gz CIHAXRDVMRGMEW-CQSZACIVSA-N 2 0 332.517 3.403 20 0 EGADRP COc1c(Br)cccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459734430 458461735 /nfs/dbraw/zinc/46/17/35/458461735.db2.gz HDJUITGXXGNJBG-CYBMUJFWSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1 ZINC000423610489 458463780 /nfs/dbraw/zinc/46/37/80/458463780.db2.gz MLTRNEMNVMGPSH-UGSOOPFHSA-N 2 0 343.858 3.146 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459739431 458464934 /nfs/dbraw/zinc/46/49/34/458464934.db2.gz SORKQELWQLZIFH-ZDUSSCGKSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430578784 458465299 /nfs/dbraw/zinc/46/52/99/458465299.db2.gz XPJMDYKHHPWLHS-APWZRJJASA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586029 458466866 /nfs/dbraw/zinc/46/68/66/458466866.db2.gz XTVGFDCQAMDRFZ-ZWKOTPCHSA-N 2 0 343.515 3.412 20 0 EGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000430597634 458469711 /nfs/dbraw/zinc/46/97/11/458469711.db2.gz MCWNZCLXUMIZSY-SFHVURJKSA-N 2 0 327.472 3.474 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430602656 458470685 /nfs/dbraw/zinc/47/06/85/458470685.db2.gz HNWIZAQRRLSOBH-MRXNPFEDSA-N 2 0 325.456 3.100 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459798434 458481670 /nfs/dbraw/zinc/48/16/70/458481670.db2.gz XUOFEYMZAHEIPX-LSDHHAIUSA-N 2 0 337.895 3.379 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@H+](CCc2ccccc2)C2CCCC2)n1 ZINC000431074183 458524753 /nfs/dbraw/zinc/52/47/53/458524753.db2.gz QUQBUOJZGQKRQN-UHFFFAOYSA-N 2 0 328.460 3.251 20 0 EGADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000468551202 458527185 /nfs/dbraw/zinc/52/71/85/458527185.db2.gz CKYPOYBYTMXRHW-WRFKIARRSA-N 2 0 346.515 3.009 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)N1CCc2ccccc2C1 ZINC000468848260 458539168 /nfs/dbraw/zinc/53/91/68/458539168.db2.gz FJDYRWMWCRPBGM-DUXKGJEZSA-N 2 0 329.532 3.143 20 0 EGADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC(C)(C)CC[NH3+])c1 ZINC000424048325 458544659 /nfs/dbraw/zinc/54/46/59/458544659.db2.gz QSVYKCGPNQOUCV-UHFFFAOYSA-N 2 0 339.483 3.176 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1)C1CC1 ZINC000424082723 458554634 /nfs/dbraw/zinc/55/46/34/458554634.db2.gz WQMNSQPDTWJJBR-LJQANCHMSA-N 2 0 349.478 3.201 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424149259 458571309 /nfs/dbraw/zinc/57/13/09/458571309.db2.gz WCOUWJNSVLUUBX-UXHICEINSA-N 2 0 349.563 3.255 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438561344 458598054 /nfs/dbraw/zinc/59/80/54/458598054.db2.gz KQIVQMQQFWLJCA-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000424287657 458604555 /nfs/dbraw/zinc/60/45/55/458604555.db2.gz JLLDCLSVUKDUKG-UHFFFAOYSA-N 2 0 340.471 3.111 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000469979802 458604640 /nfs/dbraw/zinc/60/46/40/458604640.db2.gz ABCKIQVMSZMCKS-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307525 458611287 /nfs/dbraw/zinc/61/12/87/458611287.db2.gz XQVAKVMXZXRALZ-AZUAARDMSA-N 2 0 347.522 3.312 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000438821460 458616676 /nfs/dbraw/zinc/61/66/76/458616676.db2.gz SCFPTOPQZUCECF-GUYCJALGSA-N 2 0 339.430 3.098 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC000494068104 458624247 /nfs/dbraw/zinc/62/42/47/458624247.db2.gz DZEXETICKANAQR-GGPKGHCWSA-N 2 0 343.515 3.030 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000438991173 458638443 /nfs/dbraw/zinc/63/84/43/458638443.db2.gz BMIIGEQBPCBXPR-CQSZACIVSA-N 2 0 333.476 3.036 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790161 458653145 /nfs/dbraw/zinc/65/31/45/458653145.db2.gz QEUAUOOOACHWDT-SIKLNZKXSA-N 2 0 340.511 3.407 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432247552 458704313 /nfs/dbraw/zinc/70/43/13/458704313.db2.gz RRJAWALFCMCZQF-LBPRGKRZSA-N 2 0 348.293 3.248 20 0 EGADRP CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)s1 ZINC000432420796 458737537 /nfs/dbraw/zinc/73/75/37/458737537.db2.gz MQMMYIFAEFYTNI-UONOGXRCSA-N 2 0 325.522 3.165 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2c1C ZINC000472054653 458765476 /nfs/dbraw/zinc/76/54/76/458765476.db2.gz VVSZDHHHRJBOIS-KRWDZBQOSA-N 2 0 341.499 3.375 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(C(F)(F)F)s1 ZINC000432724554 458774591 /nfs/dbraw/zinc/77/45/91/458774591.db2.gz ZRABZAYRWRXLNY-MRVWCRGKSA-N 2 0 348.434 3.450 20 0 EGADRP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)([NH+](C)C)C1 ZINC000440114707 458782621 /nfs/dbraw/zinc/78/26/21/458782621.db2.gz YYLNYLYZCVBXIY-KPFFTGBYSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000548064676 458831838 /nfs/dbraw/zinc/83/18/38/458831838.db2.gz XNPSTNSVOSSABI-ROUUACIJSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000530901692 458842344 /nfs/dbraw/zinc/84/23/44/458842344.db2.gz QJHHTBUXHGNKMV-FUHWJXTLSA-N 2 0 342.487 3.474 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)cc1 ZINC000457104772 458868330 /nfs/dbraw/zinc/86/83/30/458868330.db2.gz BTUSNCCHRWAPGC-FQEVSTJZSA-N 2 0 345.531 3.473 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483629 458888722 /nfs/dbraw/zinc/88/87/22/458888722.db2.gz XWAOEFZOFGUZTP-HZSPNIEDSA-N 2 0 330.925 3.451 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000518792725 458894417 /nfs/dbraw/zinc/89/44/17/458894417.db2.gz QTBBTBACEUVRNY-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000466716032 458915464 /nfs/dbraw/zinc/91/54/64/458915464.db2.gz KGRZGDDXTXLTBH-CQSZACIVSA-N 2 0 346.393 3.238 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1(C)C ZINC000441339857 458923828 /nfs/dbraw/zinc/92/38/28/458923828.db2.gz WKNMPHLICBYYOZ-WOJBJXKFSA-N 2 0 329.532 3.013 20 0 EGADRP CC(C)(C)OC(=O)N1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000495793570 458955852 /nfs/dbraw/zinc/95/58/52/458955852.db2.gz OFWKQSGPGIFQPD-UHFFFAOYSA-N 2 0 339.524 3.242 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879755 458990114 /nfs/dbraw/zinc/99/01/14/458990114.db2.gz WJMDGWMZICUPKC-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@@H+]1CC[C@H](NCc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000531945281 459004603 /nfs/dbraw/zinc/00/46/03/459004603.db2.gz USQKBSLGPRFXCG-JSGCOSHPSA-N 2 0 328.403 3.117 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556876615 459026145 /nfs/dbraw/zinc/02/61/45/459026145.db2.gz CTYNAVUBSYGLLS-RYTOZCKSSA-N 2 0 342.527 3.428 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442870963 459048296 /nfs/dbraw/zinc/04/82/96/459048296.db2.gz AOMAIRXJOPSEOC-CQSZACIVSA-N 2 0 338.565 3.252 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000532216279 459048650 /nfs/dbraw/zinc/04/86/50/459048650.db2.gz NDTNYSXZDLUAFE-FPOVZHCZSA-N 2 0 330.516 3.346 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000567113945 459048799 /nfs/dbraw/zinc/04/87/99/459048799.db2.gz ZAYPERUCZXUFRZ-YZGWKJHDSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1(C)C ZINC000442878709 459050538 /nfs/dbraw/zinc/05/05/38/459050538.db2.gz ULUJKNJPUXRQQT-WOJBJXKFSA-N 2 0 329.532 3.328 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496064306 459052396 /nfs/dbraw/zinc/05/23/96/459052396.db2.gz JVSSUUDFZHOSRZ-BRWVUGGUSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(C)(C)O ZINC000477868765 459063940 /nfs/dbraw/zinc/06/39/40/459063940.db2.gz VZHDVPNAUKKNLP-WTGUMLROSA-N 2 0 330.516 3.282 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1F ZINC000443057381 459079050 /nfs/dbraw/zinc/07/90/50/459079050.db2.gz GNMNCKLMIHGMKM-ZIAGYGMSSA-N 2 0 332.423 3.306 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000443056796 459079319 /nfs/dbraw/zinc/07/93/19/459079319.db2.gz DDIIHNJPDQBCQM-INIZCTEOSA-N 2 0 325.456 3.229 20 0 EGADRP COc1ccc(-c2cc(C[NH+]3CCC(C[NH+](C)C)CC3)on2)cc1 ZINC000590125792 459089084 /nfs/dbraw/zinc/08/90/84/459089084.db2.gz LMFJZMPZVIISRE-UHFFFAOYSA-N 2 0 329.444 3.124 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000567390509 459099423 /nfs/dbraw/zinc/09/94/23/459099423.db2.gz CADVFIHDJWPLBI-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496213870 459110993 /nfs/dbraw/zinc/11/09/93/459110993.db2.gz QNPIHLBIRZJPER-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000496217430 459112468 /nfs/dbraw/zinc/11/24/68/459112468.db2.gz PSAUMABUXZBHOF-BBWFWOEESA-N 2 0 339.524 3.238 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000577948025 459121869 /nfs/dbraw/zinc/12/18/69/459121869.db2.gz LKTCUEORHWJRKC-GHTZIAJQSA-N 2 0 326.484 3.065 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)Cc3ccsc3)CC2)CC1 ZINC000567604160 459132236 /nfs/dbraw/zinc/13/22/36/459132236.db2.gz OBSZNUHRNSOTJI-QGZVFWFLSA-N 2 0 335.561 3.171 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000567647677 459138596 /nfs/dbraw/zinc/13/85/96/459138596.db2.gz IMBGILJXWXACOE-RBUKOAKNSA-N 2 0 334.467 3.302 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000521305600 459139358 /nfs/dbraw/zinc/13/93/58/459139358.db2.gz WRAOZLXLERCSKW-HXUWFJFHSA-N 2 0 337.511 3.497 20 0 EGADRP O[C@@H](CCc1ccccc1)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567700926 459149552 /nfs/dbraw/zinc/14/95/52/459149552.db2.gz VBNQDUKFHVVPBU-YADHBBJMSA-N 2 0 338.495 3.092 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567890100 459185783 /nfs/dbraw/zinc/18/57/83/459185783.db2.gz LPKDDHLJMLUYAF-ZBFHGGJFSA-N 2 0 349.906 3.297 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000480196808 459188458 /nfs/dbraw/zinc/18/84/58/459188458.db2.gz MHNCNSJXNCNDPV-AZUAARDMSA-N 2 0 330.516 3.445 20 0 EGADRP CC(C)[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000480539569 459203375 /nfs/dbraw/zinc/20/33/75/459203375.db2.gz VRXKTIBTAPIQKL-GHTZIAJQSA-N 2 0 347.547 3.398 20 0 EGADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000595102733 459245258 /nfs/dbraw/zinc/24/52/58/459245258.db2.gz JGNNJHUOCVJLJQ-CYBMUJFWSA-N 2 0 336.501 3.307 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000522646680 459253751 /nfs/dbraw/zinc/25/37/51/459253751.db2.gz MSGCQVXEURJGSH-UHFFFAOYSA-N 2 0 325.541 3.221 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1C(C)(C)C ZINC000534351881 459320234 /nfs/dbraw/zinc/32/02/34/459320234.db2.gz HKQLUSYCKBBMMI-DLBZAZTESA-N 2 0 345.531 3.222 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000582199867 459324647 /nfs/dbraw/zinc/32/46/47/459324647.db2.gz GVRDNPPFVNULET-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483179171 459348083 /nfs/dbraw/zinc/34/80/83/459348083.db2.gz HWYJTWCPRQUWST-MLGOLLRUSA-N 2 0 343.284 3.451 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000524156194 459349275 /nfs/dbraw/zinc/34/92/75/459349275.db2.gz SZBQEBXGHYXJQG-LMMKCTJWSA-N 2 0 337.552 3.122 20 0 EGADRP C[NH+](C)CC1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000496890449 459359685 /nfs/dbraw/zinc/35/96/85/459359685.db2.gz HOMCOMLFTCPRGF-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000568933963 459367424 /nfs/dbraw/zinc/36/74/24/459367424.db2.gz LNPKFFLTPZPUAU-HXUWFJFHSA-N 2 0 345.531 3.035 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000568991131 459378455 /nfs/dbraw/zinc/37/84/55/459378455.db2.gz KOTMXDMRFBNIOZ-WIYYLYMNSA-N 2 0 348.531 3.327 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000483688932 459381793 /nfs/dbraw/zinc/38/17/93/459381793.db2.gz DFWZUUCUKTUCQQ-OXJNMPFZSA-N 2 0 334.504 3.483 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000569182650 459409512 /nfs/dbraw/zinc/40/95/12/459409512.db2.gz BMXYGLWFZJRNEX-FQEVSTJZSA-N 2 0 329.532 3.416 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000497025377 459409765 /nfs/dbraw/zinc/40/97/65/459409765.db2.gz KLTSZGCSOLNWFC-UHFFFAOYSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497203333 459483508 /nfs/dbraw/zinc/48/35/08/459483508.db2.gz RDDQOXGJCGZNSP-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP [NH3+]C[C@@H]1CN(c2ccc3c(Cl)c4c(nc3c2)CCCC4)CCCO1 ZINC000583134975 459488494 /nfs/dbraw/zinc/48/84/94/459488494.db2.gz FTSXDTSONYTLPT-CQSZACIVSA-N 2 0 345.874 3.321 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000561976700 459499025 /nfs/dbraw/zinc/49/90/25/459499025.db2.gz QBDZOVWPTOFETK-QZTJIDSGSA-N 2 0 334.504 3.345 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000562316230 459536367 /nfs/dbraw/zinc/53/63/67/459536367.db2.gz KPNNXGKUEFNCOZ-QGZVFWFLSA-N 2 0 326.488 3.314 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000526055930 459540538 /nfs/dbraw/zinc/54/05/38/459540538.db2.gz MSKLDCHWAYBDSO-WUUFJKRQSA-N 2 0 347.934 3.454 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000583629361 459571477 /nfs/dbraw/zinc/57/14/77/459571477.db2.gz DKGBMQNJNZBFHZ-AEFFLSMTSA-N 2 0 333.520 3.339 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527231449 459611941 /nfs/dbraw/zinc/61/19/41/459611941.db2.gz ISDFEAWCOOPEBR-MSOLQXFVSA-N 2 0 338.442 3.482 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527632324 459677897 /nfs/dbraw/zinc/67/78/97/459677897.db2.gz MJQYUZAUWFSKMZ-NHCUHLMSSA-N 2 0 329.532 3.330 20 0 EGADRP C[N@H+](C[C@@H](O)CN[C@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676422 459715781 /nfs/dbraw/zinc/71/57/81/459715781.db2.gz JXZARNZRYRGLIS-VQTJNVASSA-N 2 0 344.886 3.474 20 0 EGADRP CC(C)CC[C@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000584346994 459716291 /nfs/dbraw/zinc/71/62/91/459716291.db2.gz ROXLSGPEVJRCAU-SFHVURJKSA-N 2 0 334.504 3.046 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784202 459744014 /nfs/dbraw/zinc/74/40/14/459744014.db2.gz CXESEBBYKSSNAG-RBUKOAKNSA-N 2 0 336.907 3.194 20 0 EGADRP CCc1cccc(Cl)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000584687616 459782371 /nfs/dbraw/zinc/78/23/71/459782371.db2.gz GGGHCPQIUKEPCP-UHFFFAOYSA-N 2 0 349.950 3.362 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000545160228 459804614 /nfs/dbraw/zinc/80/46/14/459804614.db2.gz PRVCJDZDIPTGIY-ACJLOTCBSA-N 2 0 334.460 3.271 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410188 459816295 /nfs/dbraw/zinc/81/62/95/459816295.db2.gz BKYKEOUSYCNVCY-PBHICJAKSA-N 2 0 347.528 3.390 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000566174829 459818612 /nfs/dbraw/zinc/81/86/12/459818612.db2.gz BDFDCVCTUDTKKJ-FCGDIQPGSA-N 2 0 335.536 3.007 20 0 EGADRP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000574792268 459873096 /nfs/dbraw/zinc/87/30/96/459873096.db2.gz XZBMHKRCTNIFNN-NCYKPQTJSA-N 2 0 330.516 3.428 20 0 EGADRP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000597238829 459889448 /nfs/dbraw/zinc/88/94/48/459889448.db2.gz JLOQLGPVQQLPCA-UYAOXDASSA-N 2 0 336.520 3.495 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)C1 ZINC000574972850 459901999 /nfs/dbraw/zinc/90/19/99/459901999.db2.gz OUAVCWLWSICNDQ-ZBFHGGJFSA-N 2 0 349.475 3.154 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000575172867 459942003 /nfs/dbraw/zinc/94/20/03/459942003.db2.gz OABVTHKDVQGDSU-QSFXBCCZSA-N 2 0 340.471 3.371 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000602467723 459952784 /nfs/dbraw/zinc/95/27/84/459952784.db2.gz YUMRNIHEIQJTOJ-IRUYWQDXSA-N 2 0 341.543 3.337 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3c(C)cc(C)cc3C)C2)CC1 ZINC000602467724 459953806 /nfs/dbraw/zinc/95/38/06/459953806.db2.gz YUMRNIHEIQJTOJ-IZRJCCQOSA-N 2 0 341.543 3.337 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000621642698 459994751 /nfs/dbraw/zinc/99/47/51/459994751.db2.gz UECVECQYDJKUMN-ICSRJNTNSA-N 2 0 343.515 3.028 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000576002451 460050702 /nfs/dbraw/zinc/05/07/02/460050702.db2.gz XRAQYNUQUAEHKX-OAQYLSRUSA-N 2 0 349.478 3.414 20 0 EGADRP O=C(CN1CCC[C@@H](c2ncc[nH]2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625251077 460089698 /nfs/dbraw/zinc/08/96/98/460089698.db2.gz BXYWBGALNOGNFQ-GFCCVEGCSA-N 2 0 326.375 3.092 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CCC2CC[NH+](CC)CC2)c1C ZINC000598962608 460105453 /nfs/dbraw/zinc/10/54/53/460105453.db2.gz ZAYHRTWDDLYELJ-UHFFFAOYSA-N 2 0 335.492 3.020 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000576359753 460126537 /nfs/dbraw/zinc/12/65/37/460126537.db2.gz LFTMSGXZPUUVEQ-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000599310324 460224589 /nfs/dbraw/zinc/22/45/89/460224589.db2.gz QANKFSGZNZOGBX-YLJYHZDGSA-N 2 0 343.515 3.162 20 0 EGADRP O=C1C[C@]2(CCCN(CCC[NH+]3CCCCC3)C2)Oc2ccccc21 ZINC000625803089 460270723 /nfs/dbraw/zinc/27/07/23/460270723.db2.gz NOTHAVZYOOGJEI-NRFANRHFSA-N 2 0 342.483 3.362 20 0 EGADRP C[NH+](C)CCOc1ccc(CCNc2cc[nH+]c3ccccc23)cc1 ZINC000599886919 460353890 /nfs/dbraw/zinc/35/38/90/460353890.db2.gz PTZPUGJKBLAVFZ-UHFFFAOYSA-N 2 0 335.451 3.252 20 0 EGADRP COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000631569080 460448422 /nfs/dbraw/zinc/44/84/22/460448422.db2.gz GASIRJOCMMXJOI-OAQYLSRUSA-N 2 0 340.467 3.413 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000634682336 460474315 /nfs/dbraw/zinc/47/43/15/460474315.db2.gz NRTUMEMKPXYFCS-IBGZPJMESA-N 2 0 346.515 3.251 20 0 EGADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000631644817 460487596 /nfs/dbraw/zinc/48/75/96/460487596.db2.gz IUYBUGHGYPOHGR-OAQYLSRUSA-N 2 0 344.499 3.163 20 0 EGADRP c1c(C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000629417011 460752074 /nfs/dbraw/zinc/75/20/74/460752074.db2.gz LRHWMQMMBBUQOP-IPMKNSEASA-N 2 0 331.508 3.041 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCCN3CC(F)F)CC2)C1 ZINC000624096336 460857852 /nfs/dbraw/zinc/85/78/52/460857852.db2.gz YYZUAQXZDVHXMK-NXHRZFHOSA-N 2 0 343.506 3.349 20 0 EGADRP COc1cccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1OC ZINC000629693567 460867613 /nfs/dbraw/zinc/86/76/13/460867613.db2.gz JTVFNEPJOSEVBZ-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)c1 ZINC000624120190 460868934 /nfs/dbraw/zinc/86/89/34/460868934.db2.gz UGDKPXPLLCQXHA-MSOLQXFVSA-N 2 0 331.504 3.342 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000635651112 460870694 /nfs/dbraw/zinc/87/06/94/460870694.db2.gz HKEMGYUCVVZHJI-UHFFFAOYSA-N 2 0 339.483 3.170 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000632893296 460872792 /nfs/dbraw/zinc/87/27/92/460872792.db2.gz SQAZMEHTILTWLF-NVXWUHKLSA-N 2 0 344.503 3.405 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624259591 460934312 /nfs/dbraw/zinc/93/43/12/460934312.db2.gz QPOBQQVXRTWFJD-UHFFFAOYSA-N 2 0 325.456 3.320 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC000629949316 460971293 /nfs/dbraw/zinc/97/12/93/460971293.db2.gz PRARSLMEAYVPHE-QGZVFWFLSA-N 2 0 343.515 3.162 20 0 EGADRP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)C ZINC000621293571 460976779 /nfs/dbraw/zinc/97/67/79/460976779.db2.gz FHNOKEWHYANVCG-UHFFFAOYSA-N 2 0 345.531 3.267 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628226383 461054065 /nfs/dbraw/zinc/05/40/65/461054065.db2.gz LWXUCBNLVYADNL-UHFFFAOYSA-N 2 0 326.488 3.478 20 0 EGADRP COc1cc(C[NH+](C)C)ccc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000633375912 461064380 /nfs/dbraw/zinc/06/43/80/461064380.db2.gz JLUSTQMTXXFUBF-UHFFFAOYSA-N 2 0 347.503 3.350 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(-c4cccs4)on3)C2)C1 ZINC000652346583 461143216 /nfs/dbraw/zinc/14/32/16/461143216.db2.gz ASUOLZBMBCJNBH-FMKPAKJESA-N 2 0 347.484 3.121 20 0 EGADRP Cc1ccc(OCCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000652348131 461143296 /nfs/dbraw/zinc/14/32/96/461143296.db2.gz VKWQONPWOQKXMA-QKNQBKEWSA-N 2 0 346.515 3.291 20 0 EGADRP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000652358698 461152120 /nfs/dbraw/zinc/15/21/20/461152120.db2.gz BDIZEUVCFACGBV-UHFFFAOYSA-N 2 0 337.467 3.353 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cc(-c3cccs3)on2)C1 ZINC000652361713 461154305 /nfs/dbraw/zinc/15/43/05/461154305.db2.gz NCZZHABUBZZORO-BMFZPTHFSA-N 2 0 347.484 3.264 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cc(-c3cccs3)on2)C1 ZINC000652361715 461155368 /nfs/dbraw/zinc/15/53/68/461155368.db2.gz NCZZHABUBZZORO-KBMXLJTQSA-N 2 0 347.484 3.264 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)on2)C1 ZINC000652363947 461158230 /nfs/dbraw/zinc/15/82/30/461158230.db2.gz SQIOCXLWYIZIHH-KPFFTGBYSA-N 2 0 341.455 3.202 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000662281282 461162955 /nfs/dbraw/zinc/16/29/55/461162955.db2.gz MFWVSAYORKSMBZ-DSKINZAPSA-N 2 0 328.500 3.325 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000662283649 461166347 /nfs/dbraw/zinc/16/63/47/461166347.db2.gz CIFWRAKTSXQCGC-RKVPGOIHSA-N 2 0 345.512 3.057 20 0 EGADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290549 461167796 /nfs/dbraw/zinc/16/77/96/461167796.db2.gz VZIHRUPMXPWWQF-APWZRJJASA-N 2 0 343.515 3.288 20 0 EGADRP COc1cccc(SCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293157 461169771 /nfs/dbraw/zinc/16/97/71/461169771.db2.gz KEMPZVULRIBFFY-QGZVFWFLSA-N 2 0 334.529 3.499 20 0 EGADRP CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662312985 461183841 /nfs/dbraw/zinc/18/38/41/461183841.db2.gz IXEHWARIAPOFNO-OWCLPIDISA-N 2 0 338.496 3.143 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3ccnc(C)n3)C2)s1 ZINC000649603455 461210990 /nfs/dbraw/zinc/21/09/90/461210990.db2.gz NOXIVOKHDHCMBD-MRXNPFEDSA-N 2 0 330.501 3.109 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603271 461212031 /nfs/dbraw/zinc/21/20/31/461212031.db2.gz DIMHHNFHCGIKSL-MRXNPFEDSA-N 2 0 344.528 3.153 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662418035 461237231 /nfs/dbraw/zinc/23/72/31/461237231.db2.gz KYBFFFMHGBDDSC-SFHVURJKSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662458946 461251315 /nfs/dbraw/zinc/25/13/15/461251315.db2.gz AOCXGDYUGJRCEJ-SJORKVTESA-N 2 0 341.499 3.016 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000662497253 461269988 /nfs/dbraw/zinc/26/99/88/461269988.db2.gz HABRPPVOUCVXQR-LKUPVBHCSA-N 2 0 349.478 3.000 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H]3[C@@H](CCC[NH+]3C)C1)CC2 ZINC000638178589 461290110 /nfs/dbraw/zinc/29/01/10/461290110.db2.gz ORFAABHEPLWGJV-RYQLBKOJSA-N 2 0 330.472 3.107 20 0 EGADRP CN(CC(C)(C)[NH3+])C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000662604313 461316179 /nfs/dbraw/zinc/31/61/79/461316179.db2.gz BFTVVVKWZYLLHS-UHFFFAOYSA-N 2 0 339.483 3.128 20 0 EGADRP CSc1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)o1 ZINC000641703537 461328016 /nfs/dbraw/zinc/32/80/16/461328016.db2.gz VPSWSBIDUIYEAN-UHFFFAOYSA-N 2 0 332.469 3.124 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000662669471 461342083 /nfs/dbraw/zinc/34/20/83/461342083.db2.gz ZQABAGLUXHOUDM-MJGOQNOKSA-N 2 0 343.515 3.236 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662675093 461342906 /nfs/dbraw/zinc/34/29/06/461342906.db2.gz JIAPUYLJZNSBSN-GOSISDBHSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CS1 ZINC000638335621 461375256 /nfs/dbraw/zinc/37/52/56/461375256.db2.gz QECGENRIGWMILH-RCJHGTSTSA-N 2 0 334.529 3.279 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nsc4ccccc43)C2)C1 ZINC000641818413 461389880 /nfs/dbraw/zinc/38/98/80/461389880.db2.gz DQJFJUWCGWHNEK-JJRVBVJISA-N 2 0 331.485 3.015 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc3c2CC[NH2+]C3)o1 ZINC000646735607 461392521 /nfs/dbraw/zinc/39/25/21/461392521.db2.gz HLBYPZWJJGVBJA-UHFFFAOYSA-N 2 0 327.428 3.019 20 0 EGADRP CCCCOc1ccc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638375828 461394622 /nfs/dbraw/zinc/39/46/22/461394622.db2.gz FOUKUXZIYNWCEH-UHFFFAOYSA-N 2 0 348.531 3.233 20 0 EGADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638434292 461427516 /nfs/dbraw/zinc/42/75/16/461427516.db2.gz JXDXEUBIHDOTFJ-VQIMIIECSA-N 2 0 331.504 3.064 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccncc2Br)C1 ZINC000631042124 461494412 /nfs/dbraw/zinc/49/44/12/461494412.db2.gz GJZIJEAXRPLWCD-CQSZACIVSA-N 2 0 340.309 3.446 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@H](C)[C@@H]3CC[NH3+])c2cc1OC ZINC000663243093 461524726 /nfs/dbraw/zinc/52/47/26/461524726.db2.gz WZEFWLAARFVQRF-BBRMVZONSA-N 2 0 329.444 3.206 20 0 EGADRP COc1ccccc1N1CCC([NH2+]CC2(C[NH+](C)C)CCCC2)CC1 ZINC000631111460 461558801 /nfs/dbraw/zinc/55/88/01/461558801.db2.gz JXFLYBDFMMKXDG-UHFFFAOYSA-N 2 0 345.531 3.376 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347692 461578867 /nfs/dbraw/zinc/57/88/67/461578867.db2.gz SLULFNXTNIOHDC-INIZCTEOSA-N 2 0 342.462 3.427 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663357208 461586537 /nfs/dbraw/zinc/58/65/37/461586537.db2.gz FFVWHQXNQDGTHD-GOSISDBHSA-N 2 0 331.504 3.141 20 0 EGADRP [NH3+]C1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCCC1 ZINC000653253498 461592311 /nfs/dbraw/zinc/59/23/11/461592311.db2.gz WGIMHUUNNHCOLO-UHFFFAOYSA-N 2 0 333.501 3.085 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253510 461592887 /nfs/dbraw/zinc/59/28/87/461592887.db2.gz WSGMFPYWSMBWOK-SFHVURJKSA-N 2 0 335.517 3.331 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647282700 461611122 /nfs/dbraw/zinc/61/11/22/461611122.db2.gz NFYANKZOMHAMCX-RXVVDRJESA-N 2 0 347.547 3.398 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000656201349 461645682 /nfs/dbraw/zinc/64/56/82/461645682.db2.gz WHCQBUAZJGUHKN-DETPVDSQSA-N 2 0 331.287 3.268 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663465385 461654839 /nfs/dbraw/zinc/65/48/39/461654839.db2.gz JQQHWEZZCOHUEJ-LPHOPBHVSA-N 2 0 344.499 3.403 20 0 EGADRP C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000663465935 461655101 /nfs/dbraw/zinc/65/51/01/461655101.db2.gz ZSMBNIQYELQLJK-GNZRSQJKSA-N 2 0 334.504 3.219 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660244302 461661078 /nfs/dbraw/zinc/66/10/78/461661078.db2.gz PFZMTFZNFLLAGK-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP COc1cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccn1 ZINC000638969810 461662089 /nfs/dbraw/zinc/66/20/89/461662089.db2.gz IUTMFDIXPQEFOO-BQFCYCMXSA-N 2 0 331.504 3.264 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000660256355 461669834 /nfs/dbraw/zinc/66/98/34/461669834.db2.gz KSBNRWKBXBYWEA-ILXRZTDVSA-N 2 0 346.437 3.488 20 0 EGADRP CC[NH+]1CCC(N(C)Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000656248255 461670751 /nfs/dbraw/zinc/67/07/51/461670751.db2.gz ODFITVPMMIGFGR-UHFFFAOYSA-N 2 0 330.451 3.236 20 0 EGADRP C[C@H](CCCC[NH3+])NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483664 461698315 /nfs/dbraw/zinc/69/83/15/461698315.db2.gz GTWLETOZPJSFDE-IEBWSBKVSA-N 2 0 346.519 3.030 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)o1 ZINC000639067343 461703094 /nfs/dbraw/zinc/70/30/94/461703094.db2.gz IWSPXHCKZUGCQF-HNNXBMFYSA-N 2 0 341.455 3.214 20 0 EGADRP C[NH+](C)C1(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639085234 461719135 /nfs/dbraw/zinc/71/91/35/461719135.db2.gz DQMJTFJGDRMSNW-AZUAARDMSA-N 2 0 327.516 3.428 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000643455776 461733652 /nfs/dbraw/zinc/73/36/52/461733652.db2.gz XMMICIOZEKOQLP-FHWLQOOXSA-N 2 0 331.504 3.082 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647496811 461733899 /nfs/dbraw/zinc/73/38/99/461733899.db2.gz UXZQBOPKLSAUGY-GOEBONIOSA-N 2 0 338.455 3.393 20 0 EGADRP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]C[C@@H](C)[NH3+])nc1 ZINC000643527900 461752855 /nfs/dbraw/zinc/75/28/55/461752855.db2.gz UTPBEUMOTFJXCO-KUHUBIRLSA-N 2 0 331.891 3.388 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543094 461756858 /nfs/dbraw/zinc/75/68/58/461756858.db2.gz HNDZCLMHLMXQJQ-IAGOWNOFSA-N 2 0 342.462 3.427 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546151 461758714 /nfs/dbraw/zinc/75/87/14/461758714.db2.gz JQPAKSMPXGQJNY-MISYRCLQSA-N 2 0 327.516 3.161 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544293 461758696 /nfs/dbraw/zinc/75/86/96/461758696.db2.gz ZAQXSSLJXYROIY-QZTJIDSGSA-N 2 0 332.488 3.306 20 0 EGADRP Fc1cccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccn2)c1 ZINC000643549171 461761214 /nfs/dbraw/zinc/76/12/14/461761214.db2.gz LQBJNDCNASKXHG-HNAWSFBYSA-N 2 0 325.431 3.288 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CC3CCSCC3)cc2)CC1 ZINC000639146550 461762580 /nfs/dbraw/zinc/76/25/80/461762580.db2.gz KSCYOPBKTHQYTD-UHFFFAOYSA-N 2 0 334.529 3.392 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC000669692209 461768495 /nfs/dbraw/zinc/76/84/95/461768495.db2.gz GYMDLUZWMLMGEX-HZPDHXFCSA-N 2 0 335.458 3.065 20 0 EGADRP C(=C\C[N@@H+]1CC[C@H](c2ccncc2)C1)\C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653681282 461804121 /nfs/dbraw/zinc/80/41/21/461804121.db2.gz LCYZHJDXGVUJNL-AUSJAXNVSA-N 2 0 348.494 3.312 20 0 EGADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000666838829 461825898 /nfs/dbraw/zinc/82/58/98/461825898.db2.gz GJAAOHBYLAYVSU-KRWDZBQOSA-N 2 0 346.519 3.033 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)C1 ZINC000647788980 461835302 /nfs/dbraw/zinc/83/53/02/461835302.db2.gz WIAGPFYFIIKBSB-KDXIVRHGSA-N 3 0 341.543 3.396 20 0 EGADRP Brc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647791284 461837041 /nfs/dbraw/zinc/83/70/41/461837041.db2.gz BMKDJMAZAOSDNV-DVOMOZLQSA-N 2 0 335.289 3.416 20 0 EGADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)ccc1Cl ZINC000647794329 461837945 /nfs/dbraw/zinc/83/79/45/461837945.db2.gz YGHQANFTFASHTR-TUVASFSCSA-N 2 0 337.870 3.036 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000647794203 461838303 /nfs/dbraw/zinc/83/83/03/461838303.db2.gz UITRFEPCZCFCTJ-NLWGTHIKSA-N 2 0 342.531 3.017 20 0 EGADRP Clc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000647798016 461841203 /nfs/dbraw/zinc/84/12/03/461841203.db2.gz KAPRJWUBUSHRRB-RWMBFGLXSA-N 2 0 329.271 3.350 20 0 EGADRP COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Cl)cc1O ZINC000639335625 461866493 /nfs/dbraw/zinc/86/64/93/461866493.db2.gz VXIGDOPRJXYFHN-UHFFFAOYSA-N 2 0 338.879 3.266 20 0 EGADRP CC[N@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1c(C)cccc1C ZINC000647889407 461871452 /nfs/dbraw/zinc/87/14/52/461871452.db2.gz NKDXBDVDZJTUPA-UHFFFAOYSA-N 2 0 331.504 3.344 20 0 EGADRP CC(C)c1cc(N2CCC[C@H](N3CCOCC3)C2)nc(C(C)C)n1 ZINC000663950414 461884918 /nfs/dbraw/zinc/88/49/18/461884918.db2.gz IUPPCGUOBSWATL-INIZCTEOSA-N 2 0 332.492 3.024 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954040 461886408 /nfs/dbraw/zinc/88/64/08/461886408.db2.gz OKANOGYOOKTZGM-NHYWBVRUSA-N 2 0 341.268 3.251 20 0 EGADRP c1cc(CCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc2c1OCC2 ZINC000656785805 461895312 /nfs/dbraw/zinc/89/53/12/461895312.db2.gz JQYYWMRVQLKUSO-HXUWFJFHSA-N 2 0 328.500 3.266 20 0 EGADRP FC(F)(F)c1cccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786421 461897131 /nfs/dbraw/zinc/89/71/31/461897131.db2.gz MJSFERQOQJKDDV-CQSZACIVSA-N 2 0 327.394 3.312 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000647975919 461916953 /nfs/dbraw/zinc/91/69/53/461916953.db2.gz HOVTVRFSWXYFSP-HZPDHXFCSA-N 2 0 349.906 3.380 20 0 EGADRP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976621 461918051 /nfs/dbraw/zinc/91/80/51/461918051.db2.gz RDZHNEWGJMXIHJ-HZPDHXFCSA-N 2 0 347.528 3.059 20 0 EGADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647978891 461920345 /nfs/dbraw/zinc/92/03/45/461920345.db2.gz ZWWPOLOTVKQVBW-ZIAGYGMSSA-N 2 0 327.394 3.312 20 0 EGADRP FC(F)(F)c1ccn(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000647990028 461927049 /nfs/dbraw/zinc/92/70/49/461927049.db2.gz SNTWOVBDWIZANV-UHFFFAOYSA-N 2 0 344.425 3.319 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762796 461940406 /nfs/dbraw/zinc/94/04/06/461940406.db2.gz KKCXFMDQHKIBRS-CYBMUJFWSA-N 2 0 325.294 3.359 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C3)cc1 ZINC000650763223 461941440 /nfs/dbraw/zinc/94/14/40/461941440.db2.gz UYEOEXPEDJRWRD-WKCHPHFGSA-N 2 0 327.516 3.161 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650764222 461941738 /nfs/dbraw/zinc/94/17/38/461941738.db2.gz TZAYVEQYDHTBEN-KRWDZBQOSA-N 2 0 337.305 3.286 20 0 EGADRP Cc1nc(C)c(Br)c(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000664137917 461953715 /nfs/dbraw/zinc/95/37/15/461953715.db2.gz ZIMGEQLZKNFEQO-LBPRGKRZSA-N 2 0 341.297 3.388 20 0 EGADRP C[C@H]1OCC[C@H]1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639553588 461985499 /nfs/dbraw/zinc/98/54/99/461985499.db2.gz OQKAWBCSOVQYDS-QUCCMNQESA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657312456 462038290 /nfs/dbraw/zinc/03/82/90/462038290.db2.gz JLDHLOZBKSTAQX-KBPBESRZSA-N 2 0 346.441 3.287 20 0 EGADRP Cc1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cnc1N1CCCC[C@H]1C ZINC000667345695 462050560 /nfs/dbraw/zinc/05/05/60/462050560.db2.gz MEAUPHCXRMUQBP-CVEARBPZSA-N 2 0 345.491 3.032 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)c1 ZINC000657398868 462097509 /nfs/dbraw/zinc/09/75/09/462097509.db2.gz DQUWHFMJZOHPAH-NHCUHLMSSA-N 2 0 346.515 3.251 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)Cc2ccccc2O1 ZINC000644843206 462101967 /nfs/dbraw/zinc/10/19/67/462101967.db2.gz BEGYXJSULGMHSX-QGZVFWFLSA-N 2 0 340.467 3.410 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000664596583 462119259 /nfs/dbraw/zinc/11/92/59/462119259.db2.gz ITZBSBLAQUHXCY-GOSISDBHSA-N 2 0 339.483 3.223 20 0 EGADRP CCc1cccc2cc(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)oc21 ZINC000657438845 462124285 /nfs/dbraw/zinc/12/42/85/462124285.db2.gz PRVDIMFNPZLQML-INIZCTEOSA-N 2 0 329.488 3.111 20 0 EGADRP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000651228808 462146714 /nfs/dbraw/zinc/14/67/14/462146714.db2.gz DIQDHCMDVXHRRE-VAMGGRTRSA-N 2 0 328.500 3.324 20 0 EGADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCC2)cc1 ZINC000654307267 462148239 /nfs/dbraw/zinc/14/82/39/462148239.db2.gz QUSGVGXJBACZGV-VQTJNVASSA-N 2 0 341.499 3.029 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000648576237 462185255 /nfs/dbraw/zinc/18/52/55/462185255.db2.gz ZRKJBECAPGPFSF-QZTJIDSGSA-N 2 0 332.488 3.207 20 0 EGADRP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)nc1 ZINC000657678509 462227060 /nfs/dbraw/zinc/22/70/60/462227060.db2.gz RWUIMFDBIXEJPC-FQEVSTJZSA-N 2 0 342.531 3.043 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000667733417 462237431 /nfs/dbraw/zinc/23/74/31/462237431.db2.gz CTODXWXOIKERFA-DNVCBOLYSA-N 2 0 340.471 3.267 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813200 462280224 /nfs/dbraw/zinc/28/02/24/462280224.db2.gz ZXMAVTDPBLMIDT-MRXNPFEDSA-N 2 0 329.488 3.115 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000648837777 462300535 /nfs/dbraw/zinc/30/05/35/462300535.db2.gz SUPVSMBYJRKDMD-IBGZPJMESA-N 2 0 334.529 3.346 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc3cnccc3o2)cc1 ZINC000651703918 462309720 /nfs/dbraw/zinc/30/97/20/462309720.db2.gz QIIXIOXIFZVKML-UHFFFAOYSA-N 2 0 339.439 3.101 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000645388397 462310002 /nfs/dbraw/zinc/31/00/02/462310002.db2.gz KZMQFXZUPWPVPS-LJQANCHMSA-N 2 0 349.950 3.277 20 0 EGADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)c(Cl)c1 ZINC000657986291 462338581 /nfs/dbraw/zinc/33/85/81/462338581.db2.gz FYVFBSDYNTXGHP-NSHDSACASA-N 2 0 349.700 3.331 20 0 EGADRP C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)C1CC[NH+](C)CC1 ZINC000645503505 462351530 /nfs/dbraw/zinc/35/15/30/462351530.db2.gz RRQDFEHXPWLEGS-HNNXBMFYSA-N 2 0 348.560 3.374 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658071641 462368039 /nfs/dbraw/zinc/36/80/39/462368039.db2.gz XNVITJMQAANIEZ-RTBURBONSA-N 2 0 338.536 3.059 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000649044093 462387375 /nfs/dbraw/zinc/38/73/75/462387375.db2.gz JYUCVIVAIXJNHW-HNNXBMFYSA-N 2 0 335.517 3.153 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)CCC(C)(C)[NH3+])c2)CC1 ZINC000649311018 462476252 /nfs/dbraw/zinc/47/62/52/462476252.db2.gz VGKMZZFTUIMHDT-UHFFFAOYSA-N 2 0 331.504 3.052 20 0 EGADRP CCC(CC)(CNC(=O)CC1([NH3+])CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000645964256 462480239 /nfs/dbraw/zinc/48/02/39/462480239.db2.gz YJYWOZHLVBUZKQ-MRXNPFEDSA-N 2 0 331.504 3.284 20 0 EGADRP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649413600 462503528 /nfs/dbraw/zinc/50/35/28/462503528.db2.gz PLFZVJYNWCLTRB-IAGOWNOFSA-N 2 0 326.488 3.406 20 0 EGADRP CCn1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2c1cccc2F ZINC000649417830 462504185 /nfs/dbraw/zinc/50/41/85/462504185.db2.gz KBLRSIKTCCRLCQ-HZPDHXFCSA-N 2 0 344.478 3.407 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000646105864 462518847 /nfs/dbraw/zinc/51/88/47/462518847.db2.gz KCRJWMXKRMEHRG-OXQOHEQNSA-N 2 0 337.467 3.053 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000183949350 533831409 /nfs/dbraw/zinc/83/14/09/533831409.db2.gz UOCDWIJWNZIFGD-INIZCTEOSA-N 2 0 345.487 3.416 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000173694460 528999909 /nfs/dbraw/zinc/99/99/09/528999909.db2.gz NQVZXKSSKWZGFO-HXUWFJFHSA-N 2 0 343.515 3.030 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000178694534 529148135 /nfs/dbraw/zinc/14/81/35/529148135.db2.gz YTEXQLTXXRPSHJ-QZTJIDSGSA-N 2 0 340.515 3.159 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000356235868 535892432 /nfs/dbraw/zinc/89/24/32/535892432.db2.gz XUAQNRAHUZXOOE-UHFFFAOYSA-N 2 0 328.859 3.064 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH2+]C1 ZINC000363511088 536027329 /nfs/dbraw/zinc/02/73/29/536027329.db2.gz GQANJJPRBHDNHQ-HXUWFJFHSA-N 2 0 329.488 3.043 20 0 EGADRP CCn1cc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350513371 536052784 /nfs/dbraw/zinc/05/27/84/536052784.db2.gz PFJIZCMIKSKGPX-PMACEKPBSA-N 2 0 326.488 3.075 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)no1 ZINC000090911657 546661655 /nfs/dbraw/zinc/66/16/55/546661655.db2.gz DUMABQVMRVMGIM-CABCVRRESA-N 2 0 328.460 3.160 20 0 EGADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCCO1 ZINC000092428862 546674082 /nfs/dbraw/zinc/67/40/82/546674082.db2.gz GRQQIXXBLXYOHT-HXUWFJFHSA-N 2 0 332.488 3.162 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270401 546970576 /nfs/dbraw/zinc/97/05/76/546970576.db2.gz VWJMKVORCSLKTL-LVCYWYKZSA-N 2 0 329.532 3.359 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000165963013 546985769 /nfs/dbraw/zinc/98/57/69/546985769.db2.gz JMBYSRPTJQBOLI-GGPKGHCWSA-N 2 0 343.515 3.049 20 0 EGADRP Fc1ccc(Br)cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166327652 546987092 /nfs/dbraw/zinc/98/70/92/546987092.db2.gz VTXOZRQWMDEXHQ-LSDHHAIUSA-N 2 0 341.268 3.347 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000178071005 547033286 /nfs/dbraw/zinc/03/32/86/547033286.db2.gz SZTPRZXVLIYSJT-PBHICJAKSA-N 2 0 338.492 3.189 20 0 EGADRP CCC[NH+]1CCC(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310096741 547461887 /nfs/dbraw/zinc/46/18/87/547461887.db2.gz VQPBGWPGZRFRQI-HXUWFJFHSA-N 2 0 329.532 3.363 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310096736 547462126 /nfs/dbraw/zinc/46/21/26/547462126.db2.gz VQPBGWPGZRFRQI-FQEVSTJZSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000339347002 547575263 /nfs/dbraw/zinc/57/52/63/547575263.db2.gz SRQGQYXLNIBFCB-GOSISDBHSA-N 2 0 345.531 3.278 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000398063578 547835905 /nfs/dbraw/zinc/83/59/05/547835905.db2.gz WZFADLRLDDQNLG-AOIWGVFYSA-N 2 0 346.515 3.464 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494933857 547994310 /nfs/dbraw/zinc/99/43/10/547994310.db2.gz FLIQRHXLJNZCPT-UHFFFAOYSA-N 2 0 337.533 3.343 20 0 EGADRP Cc1ccccc1C[NH+]1CCCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000675489444 548928348 /nfs/dbraw/zinc/92/83/48/548928348.db2.gz XISMMMSLQIKDJU-OAQYLSRUSA-N 2 0 329.532 3.377 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742574 548971946 /nfs/dbraw/zinc/97/19/46/548971946.db2.gz SMADGCMDQYSDII-HNAYVOBHSA-N 2 0 333.495 3.065 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000675747483 548973272 /nfs/dbraw/zinc/97/32/72/548973272.db2.gz BOWBEKJOAPIEBI-KRWDZBQOSA-N 2 0 334.504 3.060 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000675889519 548997993 /nfs/dbraw/zinc/99/79/93/548997993.db2.gz JRGOSYAFHBTYDR-UHFFFAOYSA-N 2 0 341.503 3.211 20 0 EGADRP Cc1ccc2ccccc2c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000675965196 549012411 /nfs/dbraw/zinc/01/24/11/549012411.db2.gz QDPUQJZNWFDGSK-FQEVSTJZSA-N 2 0 337.511 3.360 20 0 EGADRP CC1(C)C[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000677748087 549325188 /nfs/dbraw/zinc/32/51/88/549325188.db2.gz DTWYQXJEBZYXSZ-SLFFLAALSA-N 2 0 327.516 3.256 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1COc2ccccc2O1 ZINC000678123492 549401603 /nfs/dbraw/zinc/40/16/03/549401603.db2.gz YSIBAYYZBCMOQI-IBGZPJMESA-N 2 0 340.467 3.410 20 0 EGADRP Cc1cccc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000678314572 549468062 /nfs/dbraw/zinc/46/80/62/549468062.db2.gz JQWAKNVTCVTPHP-UHFFFAOYSA-N 2 0 339.483 3.497 20 0 EGADRP CCC1(O)CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000678549406 549518365 /nfs/dbraw/zinc/51/83/65/549518365.db2.gz VNTVEKHNULZBLJ-PPDQVPDSSA-N 2 0 334.504 3.361 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000678609530 549531236 /nfs/dbraw/zinc/53/12/36/549531236.db2.gz XJEOBSKUWXTLQH-MLGOLLRUSA-N 2 0 330.394 3.059 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678770458 549558080 /nfs/dbraw/zinc/55/80/80/549558080.db2.gz GLFWKAJLIZLISD-HGHGUNKESA-N 2 0 327.516 3.068 20 0 EGADRP CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678968711 549606213 /nfs/dbraw/zinc/60/62/13/549606213.db2.gz JXHRVHNWQRHHHW-HXUWFJFHSA-N 2 0 346.515 3.048 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679100000 549635149 /nfs/dbraw/zinc/63/51/49/549635149.db2.gz YDDZIPZNQHKCMT-FUHWJXTLSA-N 2 0 333.545 3.438 20 0 EGADRP C[C@H]1C[C@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@@H+]1C ZINC000679143687 549643712 /nfs/dbraw/zinc/64/37/12/549643712.db2.gz YPAPBNVTEXOUGC-QFBILLFUSA-N 2 0 333.545 3.173 20 0 EGADRP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326569 549688933 /nfs/dbraw/zinc/68/89/33/549688933.db2.gz YEDXQAFVJVMBPN-YWDUDDICSA-N 2 0 330.516 3.428 20 0 EGADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679339307 549691517 /nfs/dbraw/zinc/69/15/17/549691517.db2.gz GYLCMQBJDFKXMC-OAHLLOKOSA-N 2 0 328.460 3.044 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)CCCCO)CC2)cc1 ZINC000679338634 549691549 /nfs/dbraw/zinc/69/15/49/549691549.db2.gz UJXCLNTXWMPORU-KRWDZBQOSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCCO1 ZINC000680352970 549854436 /nfs/dbraw/zinc/85/44/36/549854436.db2.gz WKCVQYFDZDXCLV-OSTWSGHESA-N 2 0 328.500 3.444 20 0 EGADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681368812 549987838 /nfs/dbraw/zinc/98/78/38/549987838.db2.gz FAGQSONBFWUPMU-WOJBJXKFSA-N 2 0 334.504 3.310 20 0 EGADRP CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755892 550033093 /nfs/dbraw/zinc/03/30/93/550033093.db2.gz ZRCRKDNOKQPJQE-OAQYLSRUSA-N 2 0 346.515 3.146 20 0 EGADRP COc1cc(C)c([C@H](C)[NH+]2CCC(OCC[NH+](C)C)CC2)cc1C ZINC000682069685 550067564 /nfs/dbraw/zinc/06/75/64/550067564.db2.gz HLTBWQYQIPUVSD-KRWDZBQOSA-N 2 0 334.504 3.416 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)O ZINC000682951029 550168134 /nfs/dbraw/zinc/16/81/34/550168134.db2.gz WGPIPPHUBSWAAF-IBGZPJMESA-N 2 0 334.504 3.046 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)CC1 ZINC000683926939 550274281 /nfs/dbraw/zinc/27/42/81/550274281.db2.gz BTQSQHJNVKQPET-UHFFFAOYSA-N 2 0 348.494 3.205 20 0 EGADRP CCc1[nH+]c2ccccc2c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1C ZINC000684891272 550381345 /nfs/dbraw/zinc/38/13/45/550381345.db2.gz LIFAHLRYYIMGNN-KRWDZBQOSA-N 2 0 339.483 3.193 20 0 EGADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000685457344 550419134 /nfs/dbraw/zinc/41/91/34/550419134.db2.gz BCFRLLPVWVJZBJ-SFHVURJKSA-N 2 0 335.923 3.249 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000729312333 574837412 /nfs/dbraw/zinc/83/74/12/574837412.db2.gz WDVXBMHSAJKLTH-FQEVSTJZSA-N 2 0 343.515 3.206 20 0 EGADRP CC1(C)CCc2cc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)ccc2O1 ZINC000732229653 575247262 /nfs/dbraw/zinc/24/72/62/575247262.db2.gz TWRLPOUJFCQOFO-IBGZPJMESA-N 2 0 346.515 3.117 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000733778749 575392383 /nfs/dbraw/zinc/39/23/83/575392383.db2.gz GLBSOFQXHLPFEH-PMACEKPBSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000741796698 575438733 /nfs/dbraw/zinc/43/87/33/575438733.db2.gz WSCPPIKUCZEUKA-ZACQAIPSSA-N 2 0 339.524 3.048 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399093597 1297726296 /nfs/dbraw/zinc/72/62/96/1297726296.db2.gz UUBNZLZHSNNVFU-RDJZCZTQSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc4ccccc43)cn2)CC1 ZINC000030660596 1291352526 /nfs/dbraw/zinc/35/25/26/1291352526.db2.gz JONCPEXLFROZRA-UHFFFAOYSA-N 2 0 346.478 3.276 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000047973381 1291592110 /nfs/dbraw/zinc/59/21/10/1291592110.db2.gz WMZFZOHUHLGEPI-UHFFFAOYSA-N 2 0 329.488 3.381 20 0 EGADRP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)C1 ZINC000827698884 1292357093 /nfs/dbraw/zinc/35/70/93/1292357093.db2.gz CGUIRHXURWEQCF-OAQYLSRUSA-N 2 0 336.479 3.385 20 0 EGADRP Cc1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC000076400184 1292428141 /nfs/dbraw/zinc/42/81/41/1292428141.db2.gz IXINFAIRRVHBRY-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CCCCC[NH3+])CCCC1)c1ccccc1 ZINC000829074693 1292535547 /nfs/dbraw/zinc/53/55/47/1292535547.db2.gz CAARALBQIISKEE-QGZVFWFLSA-N 2 0 331.504 3.285 20 0 EGADRP CCC(CC)(CNC(=O)C[C@H]([NH3+])C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000829237436 1292556554 /nfs/dbraw/zinc/55/65/54/1292556554.db2.gz YSVDZRLKRIJRKL-YJBOKZPZSA-N 2 0 331.504 3.140 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000079756539 1292575481 /nfs/dbraw/zinc/57/54/81/1292575481.db2.gz LESALHSQFPQNMP-VIQWUECVSA-N 2 0 335.536 3.164 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)ccc1Br ZINC000090188709 1292790038 /nfs/dbraw/zinc/79/00/38/1292790038.db2.gz HADTZOBHRZIFNU-AWEZNQCLSA-N 2 0 347.272 3.035 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000105442118 1293035867 /nfs/dbraw/zinc/03/58/67/1293035867.db2.gz SCCPSHQYRSLNBM-SFHVURJKSA-N 2 0 325.500 3.203 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000105457209 1293036030 /nfs/dbraw/zinc/03/60/30/1293036030.db2.gz GEGPICUDAOCYPA-FPOVZHCZSA-N 2 0 346.515 3.454 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000105459186 1293038501 /nfs/dbraw/zinc/03/85/01/1293038501.db2.gz ZQIWQNAFIMDOQU-UHFFFAOYSA-N 2 0 334.467 3.457 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000109068625 1293086788 /nfs/dbraw/zinc/08/67/88/1293086788.db2.gz WFFKJEMMOPIWMX-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Cl)s3)CC2)CC1 ZINC000126036358 1293523179 /nfs/dbraw/zinc/52/31/79/1293523179.db2.gz YQORFVJZELZOKG-UHFFFAOYSA-N 2 0 327.925 3.050 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccnc(Cl)c2)cn1 ZINC000126416254 1293534114 /nfs/dbraw/zinc/53/41/14/1293534114.db2.gz FYONAXMJYMDKGT-LBPRGKRZSA-N 2 0 327.819 3.475 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1OC ZINC000129474538 1293624721 /nfs/dbraw/zinc/62/47/21/1293624721.db2.gz ZDIDCRITGVFEEW-MRXNPFEDSA-N 2 0 334.504 3.346 20 0 EGADRP CC(C)N(CCC[NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000131662250 1293696772 /nfs/dbraw/zinc/69/67/72/1293696772.db2.gz YLJLDMNYYBZAPD-MRXNPFEDSA-N 2 0 341.540 3.342 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000132184415 1293712358 /nfs/dbraw/zinc/71/23/58/1293712358.db2.gz JBQRVAQWCJAMOU-MRXNPFEDSA-N 2 0 348.450 3.290 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cncs3)cc2)C[C@@H](C)O1 ZINC000135846922 1293803072 /nfs/dbraw/zinc/80/30/72/1293803072.db2.gz GUMXRDJCPFVGCC-HUUCEWRRSA-N 2 0 331.485 3.042 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cncs3)cc2)C[C@H](C)O1 ZINC000135846887 1293803212 /nfs/dbraw/zinc/80/32/12/1293803212.db2.gz GUMXRDJCPFVGCC-GJZGRUSLSA-N 2 0 331.485 3.042 20 0 EGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c1 ZINC000136027140 1293807891 /nfs/dbraw/zinc/80/78/91/1293807891.db2.gz RBHRLPBUMABNJB-GOSISDBHSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000136589499 1293818263 /nfs/dbraw/zinc/81/82/63/1293818263.db2.gz GJSOHVUCAARPOB-RTWAWAEBSA-N 2 0 330.516 3.469 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000154184339 1294044158 /nfs/dbraw/zinc/04/41/58/1294044158.db2.gz VYVMIYFIONMZOW-OALUTQOASA-N 2 0 334.504 3.409 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000155381797 1294095405 /nfs/dbraw/zinc/09/54/05/1294095405.db2.gz VGYULZKDGASYNK-ROUUACIJSA-N 2 0 339.483 3.289 20 0 EGADRP CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000159070255 1294224638 /nfs/dbraw/zinc/22/46/38/1294224638.db2.gz XRVZWXPJNVSWGE-FQEVSTJZSA-N 2 0 348.531 3.294 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000162864392 1294323661 /nfs/dbraw/zinc/32/36/61/1294323661.db2.gz AQSXRCSPXHPZMQ-OAHLLOKOSA-N 2 0 327.513 3.096 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000173338550 1294459299 /nfs/dbraw/zinc/45/92/99/1294459299.db2.gz GCLIPJHYMIHBLV-IRXDYDNUSA-N 2 0 339.524 3.145 20 0 EGADRP COc1ccc([C@H](C)NCCC[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000182191541 1295026676 /nfs/dbraw/zinc/02/66/76/1295026676.db2.gz QWBKPTXFCNOYNB-KRWDZBQOSA-N 2 0 333.520 3.283 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000870866998 1296121117 /nfs/dbraw/zinc/12/11/17/1296121117.db2.gz WZWJELDIMIGLFB-IYARVYRRSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870866037 1296121322 /nfs/dbraw/zinc/12/13/22/1296121322.db2.gz KAJBQIGJJDRDSG-QGZVFWFLSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000870891681 1296131653 /nfs/dbraw/zinc/13/16/53/1296131653.db2.gz HPHFZXNGLADZOK-LEAZDLGRSA-N 2 0 343.515 3.015 20 0 EGADRP C[NH+](C)CCOCC[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000231676379 1296169104 /nfs/dbraw/zinc/16/91/04/1296169104.db2.gz DVYOVEQQFIRPCA-UHFFFAOYSA-N 2 0 325.667 3.315 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000250024402 1296453857 /nfs/dbraw/zinc/45/38/57/1296453857.db2.gz RMNMYDIEPZBVTJ-YSIASYRMSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261547217 1296594683 /nfs/dbraw/zinc/59/46/83/1296594683.db2.gz HRTUXZSMUWXCBV-NRSPTQNISA-N 2 0 329.532 3.409 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000261614124 1296596176 /nfs/dbraw/zinc/59/61/76/1296596176.db2.gz FCFQEAQFPRHSLM-AEFFLSMTSA-N 2 0 329.488 3.214 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261687960 1296598710 /nfs/dbraw/zinc/59/87/10/1296598710.db2.gz KNLCFWKLLWIVPQ-QUCCMNQESA-N 2 0 340.515 3.429 20 0 EGADRP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262075730 1296617130 /nfs/dbraw/zinc/61/71/30/1296617130.db2.gz DFKLPUBPZBKSEY-GOSISDBHSA-N 2 0 341.524 3.203 20 0 EGADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000262508632 1296636496 /nfs/dbraw/zinc/63/64/96/1296636496.db2.gz MTQPOQYPUXUQBW-VXGBXAGGSA-N 2 0 344.286 3.239 20 0 EGADRP C[C@H](CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000263282754 1296673751 /nfs/dbraw/zinc/67/37/51/1296673751.db2.gz SLBMYXCBMZAJFA-HBFSDRIKSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@](O)(C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000872223031 1296826569 /nfs/dbraw/zinc/82/65/69/1296826569.db2.gz LWZRJRCTXXOUPW-KRWDZBQOSA-N 2 0 344.421 3.192 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000321615107 1297180846 /nfs/dbraw/zinc/18/08/46/1297180846.db2.gz SVBWFORHUBOEKQ-MRXNPFEDSA-N 2 0 330.394 3.060 20 0 EGADRP Cc1cc(N2CCC([NH2+]Cc3cccc4ncccc34)CC2)nc(C)n1 ZINC000873071774 1297260677 /nfs/dbraw/zinc/26/06/77/1297260677.db2.gz LPNNLJAMDVAWOM-UHFFFAOYSA-N 2 0 347.466 3.400 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2n2cncn2)CC1 ZINC000340257504 1297310345 /nfs/dbraw/zinc/31/03/45/1297310345.db2.gz KIKWBRMRSBPFRS-DFQSSKMNSA-N 2 0 347.551 3.356 20 0 EGADRP Clc1cccc([C@H]2C[NH2+]CCN2Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873208166 1297353881 /nfs/dbraw/zinc/35/38/81/1297353881.db2.gz DJCHZVNSHBMJCJ-QGZVFWFLSA-N 2 0 347.915 3.194 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222163 1297362015 /nfs/dbraw/zinc/36/20/15/1297362015.db2.gz CUIQTGQXIIXFGQ-ZDUSSCGKSA-N 2 0 332.879 3.312 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC[NH2+]CC1 ZINC000873222367 1297364146 /nfs/dbraw/zinc/36/41/46/1297364146.db2.gz OTWNWYCCCKYBDL-INIZCTEOSA-N 2 0 325.456 3.138 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)ccc1OC ZINC000873232740 1297374472 /nfs/dbraw/zinc/37/44/72/1297374472.db2.gz KDNFYHDOJVKFEC-IBGZPJMESA-N 2 0 332.488 3.496 20 0 EGADRP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000873241706 1297383142 /nfs/dbraw/zinc/38/31/42/1297383142.db2.gz ILVLHYXIKSTZIY-BHIFYINESA-N 3 0 341.543 3.266 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000873242317 1297383265 /nfs/dbraw/zinc/38/32/65/1297383265.db2.gz PBJCMSWQBNNZIC-NQIIRXRSSA-N 3 0 329.532 3.266 20 0 EGADRP Fc1cccc2c1SCC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000873241936 1297384171 /nfs/dbraw/zinc/38/41/71/1297384171.db2.gz JAZPHBCKCWGOFH-INIZCTEOSA-N 2 0 344.459 3.279 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000873259615 1297394045 /nfs/dbraw/zinc/39/40/45/1297394045.db2.gz HZMDDHKXLCLLNF-UGQVUOCMSA-N 2 0 327.472 3.098 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291472 1297412819 /nfs/dbraw/zinc/41/28/19/1297412819.db2.gz WFUCKXODYWDVQK-QFBILLFUSA-N 2 0 332.488 3.283 20 0 EGADRP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381179001 1297551571 /nfs/dbraw/zinc/55/15/71/1297551571.db2.gz PVNGHDLDBDSQLX-IBGZPJMESA-N 2 0 345.531 3.183 20 0 EGADRP C[NH+]1CCC(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000385541028 1297585881 /nfs/dbraw/zinc/58/58/81/1297585881.db2.gz UNYMPLJAYBCIGL-GOSISDBHSA-N 2 0 347.503 3.184 20 0 EGADRP c1ccc(COCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000390044276 1297620376 /nfs/dbraw/zinc/62/03/76/1297620376.db2.gz ANHAZYUMQRKKKX-UHFFFAOYSA-N 2 0 325.456 3.247 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399082739 1297723231 /nfs/dbraw/zinc/72/32/31/1297723231.db2.gz QGAOGVQBUZHXDA-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC000400543235 1297730826 /nfs/dbraw/zinc/73/08/26/1297730826.db2.gz VKLAXOFXZKVBEH-OAHLLOKOSA-N 2 0 347.503 3.189 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405248646 1297764547 /nfs/dbraw/zinc/76/45/47/1297764547.db2.gz IQDUIYOFVVJYRX-CEXWTWQISA-N 2 0 327.516 3.147 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)[C@@H](C)C1 ZINC000421829263 1297792934 /nfs/dbraw/zinc/79/29/34/1297792934.db2.gz HHRSJCGXZJRSRZ-SXLOBPIMSA-N 2 0 345.531 3.056 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000693861134 1298153114 /nfs/dbraw/zinc/15/31/14/1298153114.db2.gz HSOQHVSNTCHSFL-BRWVUGGUSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000704372614 1298206900 /nfs/dbraw/zinc/20/69/00/1298206900.db2.gz GHVKAGCBZICMHD-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876771137 1298974946 /nfs/dbraw/zinc/97/49/46/1298974946.db2.gz NCUGYBRLMAHRNM-MRXNPFEDSA-N 2 0 341.540 3.201 20 0 EGADRP CCCC[NH+]1CCC([NH2+]CC2(C)CCN(C(=O)OCC)CC2)CC1 ZINC000876975511 1299097517 /nfs/dbraw/zinc/09/75/17/1299097517.db2.gz IRYLJXXNAKQSKW-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP CO[C@H](C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000876993547 1299105712 /nfs/dbraw/zinc/10/57/12/1299105712.db2.gz JUHPJEHDSDHNBK-HXUWFJFHSA-N 2 0 338.536 3.062 20 0 EGADRP CC1([NH+]2CCCCC2)CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000877301302 1299240437 /nfs/dbraw/zinc/24/04/37/1299240437.db2.gz QUXWARVLZRFPBP-LJQANCHMSA-N 2 0 341.499 3.088 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877450291 1299309774 /nfs/dbraw/zinc/30/97/74/1299309774.db2.gz FPIAUOPGDMHMES-UXPWSPDFSA-N 2 0 343.515 3.141 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ncccc1C(F)(F)F)CC2 ZINC000877684368 1299477716 /nfs/dbraw/zinc/47/77/16/1299477716.db2.gz NWMQMSCWWXUOAR-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP CC[C@H](C(=O)N(C)c1ccc(C)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000878126190 1299764220 /nfs/dbraw/zinc/76/42/20/1299764220.db2.gz UKUOWFIBVVSTET-PKOBYXMFSA-N 2 0 331.504 3.010 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550716 1300592653 /nfs/dbraw/zinc/59/26/53/1300592653.db2.gz HPUJWKQLKHFZJA-QGZVFWFLSA-N 2 0 332.492 3.391 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000759134542 1301020521 /nfs/dbraw/zinc/02/05/21/1301020521.db2.gz IGQLPEPPXXJMMV-UHFFFAOYSA-N 2 0 341.540 3.391 20 0 EGADRP C[NH+](C)CC1(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CCCC1 ZINC000759186176 1301035035 /nfs/dbraw/zinc/03/50/35/1301035035.db2.gz JVUBXAOAWHZQSP-UHFFFAOYSA-N 2 0 327.513 3.001 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC000762652193 1301722902 /nfs/dbraw/zinc/72/29/02/1301722902.db2.gz WQRXZSXTYLIYFQ-ZWKOTPCHSA-N 2 0 334.504 3.464 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CCN(CC[NH+]2CCCC2)CC3)cc1 ZINC000762928021 1301786957 /nfs/dbraw/zinc/78/69/57/1301786957.db2.gz ZDGFKTYMLRDLLZ-UHFFFAOYSA-N 2 0 327.516 3.070 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000765357485 1302253326 /nfs/dbraw/zinc/25/33/26/1302253326.db2.gz DIHJMLDMVZSLIG-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP COc1ccc2c(NC[C@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]c2c1 ZINC000765457008 1302267446 /nfs/dbraw/zinc/26/74/46/1302267446.db2.gz WLRHGICSUFXPNK-INIZCTEOSA-N 2 0 329.444 3.012 20 0 EGADRP COCCC[NH+]1CCC(Nc2cc[nH+]c3cc(OC)ccc23)CC1 ZINC000765485909 1302271151 /nfs/dbraw/zinc/27/11/51/1302271151.db2.gz MLUQXRJXZVHGLT-UHFFFAOYSA-N 2 0 329.444 3.156 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCc2ccccc2Br)CC1 ZINC000883417805 1302437833 /nfs/dbraw/zinc/43/78/33/1302437833.db2.gz NQEFYBMEOBIXRH-UHFFFAOYSA-N 2 0 325.294 3.313 20 0 EGADRP CC[C@@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000766359912 1302438522 /nfs/dbraw/zinc/43/85/22/1302438522.db2.gz IKQVREMOLYTECB-IRXDYDNUSA-N 2 0 333.520 3.108 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000768094835 1302822191 /nfs/dbraw/zinc/82/21/91/1302822191.db2.gz CUWDWYHJTAKZES-QLFBSQMISA-N 2 0 344.421 3.244 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC000769681298 1303157651 /nfs/dbraw/zinc/15/76/51/1303157651.db2.gz OJFNYICPAGIITM-IAGOWNOFSA-N 2 0 341.540 3.390 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000885924174 1303279145 /nfs/dbraw/zinc/27/91/45/1303279145.db2.gz JRCVLIQREICLEG-HXUWFJFHSA-N 2 0 346.515 3.346 20 0 EGADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000886160631 1303380827 /nfs/dbraw/zinc/38/08/27/1303380827.db2.gz YSOLYIHADQQVRX-PMACEKPBSA-N 2 0 331.504 3.231 20 0 EGADRP C[C@H](COCc1ccccc1)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000886839733 1303617156 /nfs/dbraw/zinc/61/71/56/1303617156.db2.gz LFSHWWXCQOVHPV-IOMROCGXSA-N 2 0 346.515 3.058 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775414993 1303960439 /nfs/dbraw/zinc/96/04/39/1303960439.db2.gz POCNMCVMJZHYLF-VQHPVUNQSA-N 2 0 328.591 3.324 20 0 EGADRP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889818189 1304596710 /nfs/dbraw/zinc/59/67/10/1304596710.db2.gz TUDJOQPJZHKNMH-UHFFFAOYSA-N 2 0 345.487 3.012 20 0 EGADRP C(C[NH+]1CCCC1)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000780915045 1304751529 /nfs/dbraw/zinc/75/15/29/1304751529.db2.gz PAPUQDUHMRKOHS-UHFFFAOYSA-N 2 0 345.575 3.306 20 0 EGADRP C[NH+]1CCC(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000891772190 1305161140 /nfs/dbraw/zinc/16/11/40/1305161140.db2.gz XYSKSUKMZHKGLJ-VXGBXAGGSA-N 2 0 332.332 3.391 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H]2C)cc1 ZINC000783921406 1305162714 /nfs/dbraw/zinc/16/27/14/1305162714.db2.gz RUESMZXNZRWDDA-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP Cc1[nH+]c2ccccc2c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000784149235 1305197420 /nfs/dbraw/zinc/19/74/20/1305197420.db2.gz NXASYOFKGGETQC-GOSISDBHSA-N 2 0 339.483 3.329 20 0 EGADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000892032894 1305232253 /nfs/dbraw/zinc/23/22/53/1305232253.db2.gz ACPSNOBJHLABQD-SFHVURJKSA-N 2 0 347.503 3.095 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000892185268 1305275976 /nfs/dbraw/zinc/27/59/76/1305275976.db2.gz FIEABLQLRXROHR-UHFFFAOYSA-N 3 0 341.543 3.316 20 0 EGADRP C[NH+](C)C1CCN(c2ccc(NCC3CC[NH+](C)CC3)cc2F)CC1 ZINC000892366876 1305336970 /nfs/dbraw/zinc/33/69/70/1305336970.db2.gz XTQSWSPLQKYZIS-UHFFFAOYSA-N 2 0 348.510 3.110 20 0 EGADRP CCN(CC)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000892473778 1305392578 /nfs/dbraw/zinc/39/25/78/1305392578.db2.gz RXAYAPKTHIOPFA-FQEVSTJZSA-N 2 0 333.520 3.010 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000892506478 1305412496 /nfs/dbraw/zinc/41/24/96/1305412496.db2.gz DVCIDZXDHRBBGD-GOSISDBHSA-N 2 0 334.504 3.060 20 0 EGADRP C[N@H+](CCOC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ccc(F)cc1 ZINC000786893837 1305650648 /nfs/dbraw/zinc/65/06/48/1305650648.db2.gz XOCPDESXWKYUNB-IBGZPJMESA-N 2 0 348.462 3.208 20 0 EGADRP CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000788982424 1306056763 /nfs/dbraw/zinc/05/67/63/1306056763.db2.gz IAJNFVMHCUYGHQ-HOTGVXAUSA-N 2 0 349.519 3.054 20 0 EGADRP CC1(c2ccc(Cl)cc2)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000791548995 1309024462 /nfs/dbraw/zinc/02/44/62/1309024462.db2.gz FORWPRTYQRNIEN-SFHVURJKSA-N 2 0 336.907 3.150 20 0 EGADRP C[C@@H](CC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C ZINC000895429518 1309333549 /nfs/dbraw/zinc/33/35/49/1309333549.db2.gz OWGFGLQMVITJMX-HNNXBMFYSA-N 2 0 339.524 3.096 20 0 EGADRP CCn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000895693445 1309469660 /nfs/dbraw/zinc/46/96/60/1309469660.db2.gz CQKBJIQMIPBIEF-QFBILLFUSA-N 2 0 326.488 3.069 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000896388479 1309834355 /nfs/dbraw/zinc/83/43/55/1309834355.db2.gz WWKYMFJZNHTQQW-UMQBVGHOSA-N 2 0 340.483 3.007 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)CC1 ZINC000796284555 1309952364 /nfs/dbraw/zinc/95/23/64/1309952364.db2.gz MAPVXUIKAAPKKB-UHFFFAOYSA-N 2 0 347.894 3.051 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1)CC1CC1 ZINC000897299566 1310277845 /nfs/dbraw/zinc/27/78/45/1310277845.db2.gz JYIWAYGMCOSRIA-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000839180456 1320887027 /nfs/dbraw/zinc/88/70/27/1320887027.db2.gz DEWUZVSQJUQNBI-IRXDYDNUSA-N 2 0 329.488 3.196 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001019151183 1317072296 /nfs/dbraw/zinc/07/22/96/1317072296.db2.gz MSTJLMJVDCHDPD-WMZOPIPTSA-N 2 0 348.450 3.208 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[NH+](C)C ZINC000899671725 1317128741 /nfs/dbraw/zinc/12/87/41/1317128741.db2.gz ALIZIVGZGRDQBQ-LBPRGKRZSA-N 2 0 343.393 3.190 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CCCC2)C1 ZINC000957113499 1317195539 /nfs/dbraw/zinc/19/55/39/1317195539.db2.gz NDYMWFJLNFIEBX-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957544887 1317439858 /nfs/dbraw/zinc/43/98/58/1317439858.db2.gz ANUTUKYOKGMUGX-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957602660 1317491934 /nfs/dbraw/zinc/49/19/34/1317491934.db2.gz DJFXOGOWORQGGH-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CNc1ccc(C)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000902134561 1317528407 /nfs/dbraw/zinc/52/84/07/1317528407.db2.gz JCFLTNSUDGLPMD-UHFFFAOYSA-N 2 0 327.472 3.267 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(O[C@H]2CCOC2)c1 ZINC000902344769 1317566090 /nfs/dbraw/zinc/56/60/90/1317566090.db2.gz FUTLAYJAYMEELI-ROUUACIJSA-N 2 0 332.488 3.031 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000957726008 1317591787 /nfs/dbraw/zinc/59/17/87/1317591787.db2.gz JGEKPNNVQNTGOX-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020213979 1317596304 /nfs/dbraw/zinc/59/63/04/1317596304.db2.gz CHWZVLPXVHSVLZ-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020239279 1317605260 /nfs/dbraw/zinc/60/52/60/1317605260.db2.gz VKZJECGBVZOKPD-AFYVEPGGSA-N 2 0 343.515 3.247 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cn(C)nn1 ZINC000902795312 1317616992 /nfs/dbraw/zinc/61/69/92/1317616992.db2.gz CXUWWNAQUBEDAD-CQSZACIVSA-N 2 0 347.894 3.031 20 0 EGADRP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[NH+](C)C)cc1 ZINC000903084032 1317648745 /nfs/dbraw/zinc/64/87/45/1317648745.db2.gz TWXKBQSIKFUIJN-VCYXJBJXSA-N 2 0 327.516 3.345 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903091446 1317650445 /nfs/dbraw/zinc/65/04/45/1317650445.db2.gz UHEUVHCWWIEOHG-CVEARBPZSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001020348714 1317653475 /nfs/dbraw/zinc/65/34/75/1317653475.db2.gz BAZPRUPJFZZBLX-VJANTYMQSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001020348713 1317653714 /nfs/dbraw/zinc/65/37/14/1317653714.db2.gz BAZPRUPJFZZBLX-RDGPPVDQSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]1O)CC2 ZINC000903118352 1317656944 /nfs/dbraw/zinc/65/69/44/1317656944.db2.gz OAVQUSVAQBQSAH-XKRYSZRTSA-N 2 0 328.500 3.052 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1C ZINC001020355350 1317657129 /nfs/dbraw/zinc/65/71/29/1317657129.db2.gz ZPNWHEJHQVBBAW-WGSAOQKQSA-N 2 0 348.450 3.002 20 0 EGADRP C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1Cl ZINC000903151709 1317663431 /nfs/dbraw/zinc/66/34/31/1317663431.db2.gz ISZXCDROSKWXDI-RFXRPKLXSA-N 2 0 334.891 3.295 20 0 EGADRP C[C@H](O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccccc1 ZINC000903160411 1317664612 /nfs/dbraw/zinc/66/46/12/1317664612.db2.gz LRBPYIYCOIRPFM-NGMPGZOMSA-N 2 0 342.527 3.364 20 0 EGADRP c1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)nc1 ZINC000903185881 1317669701 /nfs/dbraw/zinc/66/97/01/1317669701.db2.gz GZOAWHNISRYLIU-YLKUBASNSA-N 2 0 327.472 3.049 20 0 EGADRP C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000903240018 1317679256 /nfs/dbraw/zinc/67/92/56/1317679256.db2.gz SJWJMVWHUUIECJ-OAHLLOKOSA-N 2 0 347.503 3.456 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000903395800 1317695684 /nfs/dbraw/zinc/69/56/84/1317695684.db2.gz GVLXBDUZMGTATJ-QGZVFWFLSA-N 2 0 342.483 3.013 20 0 EGADRP CCc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000903459688 1317702884 /nfs/dbraw/zinc/70/28/84/1317702884.db2.gz WVJHMMCBUPJLMN-IBGZPJMESA-N 2 0 349.482 3.290 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001020462710 1317707269 /nfs/dbraw/zinc/70/72/69/1317707269.db2.gz IVPZPJDEIHVTOO-NCXUSEDFSA-N 2 0 349.563 3.314 20 0 EGADRP c1ccc(CC[C@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723570 1317724934 /nfs/dbraw/zinc/72/49/34/1317724934.db2.gz IOXPFQMVYJGECJ-WOJBJXKFSA-N 2 0 328.500 3.242 20 0 EGADRP c1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903727633 1317725570 /nfs/dbraw/zinc/72/55/70/1317725570.db2.gz WIRFHOCMAWMYSO-VQTJNVASSA-N 2 0 328.500 3.242 20 0 EGADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729070 1317725711 /nfs/dbraw/zinc/72/57/11/1317725711.db2.gz JKFWFLFODOGECS-PMACEKPBSA-N 2 0 328.500 3.161 20 0 EGADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731775 1317726651 /nfs/dbraw/zinc/72/66/51/1317726651.db2.gz CQUOXDDSDYGXKP-QRVBRYPASA-N 2 0 328.500 3.332 20 0 EGADRP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756817 1317730644 /nfs/dbraw/zinc/73/06/44/1317730644.db2.gz WEUIJQZJEZQRAJ-VKRLORBYSA-N 2 0 344.499 3.237 20 0 EGADRP C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786204 1317734148 /nfs/dbraw/zinc/73/41/48/1317734148.db2.gz GFSMSRLTOXWFEB-MISYRCLQSA-N 2 0 328.500 3.413 20 0 EGADRP CC1(C)C[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788723 1317734577 /nfs/dbraw/zinc/73/45/77/1317734577.db2.gz PEXKRZBRYUMBCH-OALUTQOASA-N 2 0 328.500 3.413 20 0 EGADRP Cn1c2ccccc2nc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793085 1317734859 /nfs/dbraw/zinc/73/48/59/1317734859.db2.gz MFOPCPKNCHPAPP-UHFFFAOYSA-N 2 0 334.467 3.066 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1F ZINC000903793952 1317736396 /nfs/dbraw/zinc/73/63/96/1317736396.db2.gz KLYBJXLUUVEDOP-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP [NH3+]CC1([C@H]2CCCCN2Cc2nc(-c3ccccc3)no2)CCC1 ZINC000903812899 1317737012 /nfs/dbraw/zinc/73/70/12/1317737012.db2.gz ADIKSNLWAZVBKZ-MRXNPFEDSA-N 2 0 326.444 3.220 20 0 EGADRP CC1CC[NH+]([C@@H](CNC[C@@H]([NH3+])CC(F)F)c2cccs2)CC1 ZINC000903923185 1317750216 /nfs/dbraw/zinc/75/02/16/1317750216.db2.gz NLYIXATZUJXBMZ-KBPBESRZSA-N 2 0 331.476 3.093 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CNCc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000858245069 1328721094 /nfs/dbraw/zinc/72/10/94/1328721094.db2.gz BURJFRZITPDTDV-INIZCTEOSA-N 2 0 348.491 3.250 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)C1 ZINC000904372314 1317838521 /nfs/dbraw/zinc/83/85/21/1317838521.db2.gz AWXNGTHRPFPNQL-YOEHRIQHSA-N 2 0 342.405 3.482 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405800 1317843077 /nfs/dbraw/zinc/84/30/77/1317843077.db2.gz PTLNHSGAKVVTRH-QGZVFWFLSA-N 2 0 346.906 3.372 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1OCC(F)(F)F ZINC000904405496 1317843404 /nfs/dbraw/zinc/84/34/04/1317843404.db2.gz MCOVQKZAAMJQBW-CYBMUJFWSA-N 2 0 346.393 3.197 20 0 EGADRP CC(C)(C)[C@@H]([NH3+])Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904526836 1317857411 /nfs/dbraw/zinc/85/74/11/1317857411.db2.gz HGMCULHYOQBASU-INIZCTEOSA-N 2 0 328.460 3.248 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904663844 1317878251 /nfs/dbraw/zinc/87/82/51/1317878251.db2.gz ATPMPIPPNFKAPK-YJBOKZPZSA-N 2 0 338.455 3.102 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2C[NH3+])C1 ZINC000904661385 1317878946 /nfs/dbraw/zinc/87/89/46/1317878946.db2.gz SYEJFKYBDDDKLR-IAGOWNOFSA-N 2 0 344.503 3.264 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905070027 1317917968 /nfs/dbraw/zinc/91/79/68/1317917968.db2.gz WWHBKOMZMOUYKG-MRXNPFEDSA-N 2 0 331.287 3.348 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001020818465 1317947681 /nfs/dbraw/zinc/94/76/81/1317947681.db2.gz NZVXOLFAHQMZCW-GUDVDZBRSA-N 2 0 343.515 3.025 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000810215281 1317978029 /nfs/dbraw/zinc/97/80/29/1317978029.db2.gz BODHUYOEUZALEX-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021306322 1318180378 /nfs/dbraw/zinc/18/03/78/1318180378.db2.gz DJZLPCYVAJKALB-RAFMOHDBSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001021380586 1318223038 /nfs/dbraw/zinc/22/30/38/1318223038.db2.gz MAKFXYAUQXWMFE-OHSMVPPVSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001021400496 1318233658 /nfs/dbraw/zinc/23/36/58/1318233658.db2.gz XEAKZEDRRGAMKK-OHSMVPPVSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)C1 ZINC001021437622 1318250621 /nfs/dbraw/zinc/25/06/21/1318250621.db2.gz FZSKVVQJUFQRFF-XUBOLADHSA-N 2 0 347.547 3.020 20 0 EGADRP CCSc1ccccc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000929981777 1328756440 /nfs/dbraw/zinc/75/64/40/1328756440.db2.gz PXDMPDHRVCEQJT-SFHVURJKSA-N 2 0 333.545 3.010 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001021461683 1318265257 /nfs/dbraw/zinc/26/52/57/1318265257.db2.gz NOCJZXPOUIQJDC-IHWFROFDSA-N 2 0 345.531 3.084 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)[C@@H](C)C1 ZINC000930001781 1328761758 /nfs/dbraw/zinc/76/17/58/1328761758.db2.gz WFHANCGDNFSCKR-JXFKEZNVSA-N 2 0 340.515 3.463 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960130418 1318371688 /nfs/dbraw/zinc/37/16/88/1318371688.db2.gz GWCJDMGOEDQJGM-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1)[NH+](C)C ZINC000960131662 1318371870 /nfs/dbraw/zinc/37/18/70/1318371870.db2.gz UNSORJKPSMGSDP-HOJAQTOUSA-N 2 0 345.531 3.367 20 0 EGADRP CCc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)cc1 ZINC000960129568 1318371998 /nfs/dbraw/zinc/37/19/98/1318371998.db2.gz BHDPAKJMUGRIPG-PMACEKPBSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000960309629 1318454574 /nfs/dbraw/zinc/45/45/74/1318454574.db2.gz DOOJKOQCGJUDEK-NSISKUIASA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705967 1318577664 /nfs/dbraw/zinc/57/76/64/1318577664.db2.gz HQQQIGAYNULPIJ-WOJBJXKFSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739745 1318647567 /nfs/dbraw/zinc/64/75/67/1318647567.db2.gz MWCGOTHSCDPRLH-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000960644926 1318763409 /nfs/dbraw/zinc/76/34/09/1318763409.db2.gz WWVZEWJQQFHRHD-CTWPCTMYSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960666477 1318782940 /nfs/dbraw/zinc/78/29/40/1318782940.db2.gz RJESQBFNTQJNJZ-ROUUACIJSA-N 2 0 349.544 3.045 20 0 EGADRP C[N@H+](CC1CCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960685801 1318791884 /nfs/dbraw/zinc/79/18/84/1318791884.db2.gz WFYXYYQEHNJJQQ-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1)C1CC1 ZINC000960685102 1318793164 /nfs/dbraw/zinc/79/31/64/1318793164.db2.gz UASDRBZPDWDWRZ-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001022164795 1318825763 /nfs/dbraw/zinc/82/57/63/1318825763.db2.gz PVACDQSJCZYXPP-ZGXWSNOMSA-N 2 0 343.515 3.249 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001022164792 1318825825 /nfs/dbraw/zinc/82/58/25/1318825825.db2.gz PVACDQSJCZYXPP-IYWMVGAKSA-N 2 0 343.515 3.249 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022165871 1318825898 /nfs/dbraw/zinc/82/58/98/1318825898.db2.gz FTMNFUIMUMXHLJ-OTWHNJEPSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001022293097 1318881179 /nfs/dbraw/zinc/88/11/79/1318881179.db2.gz QSPYOKIMTBKVPB-XSYGEPLQSA-N 2 0 343.515 3.086 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022534588 1318980505 /nfs/dbraw/zinc/98/05/05/1318980505.db2.gz XMNXAJWXAUBNAD-KURKYZTESA-N 2 0 343.515 3.167 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960870869 1319014141 /nfs/dbraw/zinc/01/41/41/1319014141.db2.gz UIQZJZSDUDHFKD-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000815560563 1319015547 /nfs/dbraw/zinc/01/55/47/1319015547.db2.gz KIAXWSYUWSVJST-INIZCTEOSA-N 2 0 342.462 3.132 20 0 EGADRP C[C@@H](c1ncccn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000930169643 1328803222 /nfs/dbraw/zinc/80/32/22/1328803222.db2.gz DQDKFYSEWAKGIQ-INIZCTEOSA-N 2 0 325.460 3.171 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001022958301 1319187363 /nfs/dbraw/zinc/18/73/63/1319187363.db2.gz IQVLGDPTHVSALZ-OTWHNJEPSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001023030296 1319228351 /nfs/dbraw/zinc/22/83/51/1319228351.db2.gz XVILWHBFJRZLEK-ZVDOUQERSA-N 2 0 347.547 3.070 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1 ZINC000816843148 1319233036 /nfs/dbraw/zinc/23/30/36/1319233036.db2.gz QEKGZGTYXWTVKA-UHFFFAOYSA-N 2 0 325.456 3.105 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281781 1319438789 /nfs/dbraw/zinc/43/87/89/1319438789.db2.gz IDKJCWWENKKCBA-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817893003 1319453752 /nfs/dbraw/zinc/45/37/52/1319453752.db2.gz BFOPTUSXYZGXMO-UAFMIMERSA-N 2 0 332.488 3.018 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cc(F)cc(Cl)c1 ZINC000817927896 1319462707 /nfs/dbraw/zinc/46/27/07/1319462707.db2.gz SNWXRJXUNQFVNL-YYIAUSFCSA-N 2 0 326.843 3.023 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817969696 1319481246 /nfs/dbraw/zinc/48/12/46/1319481246.db2.gz YBOMEWCXJHROOX-XLIONFOSSA-N 3 0 345.531 3.474 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1Cn1cccn1 ZINC000817975110 1319482474 /nfs/dbraw/zinc/48/24/74/1319482474.db2.gz JBLSAJNTNRBQIE-CVEARBPZSA-N 2 0 330.476 3.108 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961363882 1319521144 /nfs/dbraw/zinc/52/11/44/1319521144.db2.gz CDJIEYGXHOHBJS-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccc2c(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)oc2c1 ZINC000818340399 1319528736 /nfs/dbraw/zinc/52/87/36/1319528736.db2.gz LVUPWSWQTCURLR-HNNXBMFYSA-N 2 0 326.440 3.065 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450524 1319552514 /nfs/dbraw/zinc/55/25/14/1319552514.db2.gz GYLWDYKYPGDWHT-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961415064 1319571040 /nfs/dbraw/zinc/57/10/40/1319571040.db2.gz LMXOXJLVOFGZAF-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000818981026 1319602635 /nfs/dbraw/zinc/60/26/35/1319602635.db2.gz QOPAEHPERVIRDJ-QGZVFWFLSA-N 2 0 344.421 3.449 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000818986076 1319606198 /nfs/dbraw/zinc/60/61/98/1319606198.db2.gz FJQKVLUJSHOTPS-LJQANCHMSA-N 2 0 330.497 3.283 20 0 EGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819042156 1319620609 /nfs/dbraw/zinc/62/06/09/1319620609.db2.gz GKBKHFORJAEIFG-QGZVFWFLSA-N 2 0 328.859 3.367 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000819102462 1319634779 /nfs/dbraw/zinc/63/47/79/1319634779.db2.gz JTWJYAAETIVBGW-IUODEOHRSA-N 2 0 332.410 3.305 20 0 EGADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1F ZINC000819140053 1319645802 /nfs/dbraw/zinc/64/58/02/1319645802.db2.gz IXTRHSOWYATZEZ-LADRWXRNSA-N 2 0 338.442 3.385 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819141861 1319647816 /nfs/dbraw/zinc/64/78/16/1319647816.db2.gz KNTRRGBSMTYVJS-IBGZPJMESA-N 2 0 340.458 3.346 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000819151999 1319649043 /nfs/dbraw/zinc/64/90/43/1319649043.db2.gz JTYQALCJQIRVNH-SUMWQHHRSA-N 2 0 328.859 3.080 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819152103 1319649590 /nfs/dbraw/zinc/64/95/90/1319649590.db2.gz LLKJOXLGBJWKHK-YOEHRIQHSA-N 2 0 344.421 3.306 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560693 1319672384 /nfs/dbraw/zinc/67/23/84/1319672384.db2.gz ULBQNGKDRVDYLC-QGZVFWFLSA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)(C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000819260907 1319683357 /nfs/dbraw/zinc/68/33/57/1319683357.db2.gz WZQBXDUKMCXVDF-MRXNPFEDSA-N 2 0 328.859 3.224 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000820807564 1319956526 /nfs/dbraw/zinc/95/65/26/1319956526.db2.gz LGDYCILWAZDSLL-MRXNPFEDSA-N 2 0 349.482 3.488 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000820824168 1319963283 /nfs/dbraw/zinc/96/32/83/1319963283.db2.gz RONZQVYQAZPZGC-KFKAGJAMSA-N 2 0 334.529 3.454 20 0 EGADRP Cn1nccc1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820841439 1319966913 /nfs/dbraw/zinc/96/69/13/1319966913.db2.gz LAIASHPIEMDKGP-VCSGRIEYSA-N 2 0 338.499 3.138 20 0 EGADRP O=C(c1cc2c[nH]ccc-2n1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000930468845 1328864557 /nfs/dbraw/zinc/86/45/57/1328864557.db2.gz BVMGVWIVJWTUHW-UHFFFAOYSA-N 2 0 340.471 3.291 20 0 EGADRP Cc1nn(C)c2nc(Cl)c(C[NH2+]C(C)(C)CCC[NH+](C)C)cc12 ZINC000824913869 1320295976 /nfs/dbraw/zinc/29/59/76/1320295976.db2.gz HKBREZJGDRXTED-UHFFFAOYSA-N 2 0 337.899 3.140 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000841083747 1321215786 /nfs/dbraw/zinc/21/57/86/1321215786.db2.gz CUFHEHHGQCPDLI-CVEARBPZSA-N 2 0 332.879 3.110 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)oc21 ZINC000841104871 1321219038 /nfs/dbraw/zinc/21/90/38/1321219038.db2.gz VTSGAHGTUFSJBZ-VQIMIIECSA-N 2 0 344.455 3.160 20 0 EGADRP CN(C)C(=O)c1ccccc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000841868503 1321325209 /nfs/dbraw/zinc/32/52/09/1321325209.db2.gz PQRKUBTVIMPCOI-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000842471948 1321392460 /nfs/dbraw/zinc/39/24/60/1321392460.db2.gz IQGXUWQVGGBGPL-GOSISDBHSA-N 2 0 331.504 3.038 20 0 EGADRP C[N@H+](CCCCCCC[NH3+])C1CCN(C(=O)c2ccccc2)CC1 ZINC000842472093 1321392609 /nfs/dbraw/zinc/39/26/09/1321392609.db2.gz QFCNYWUDEFDCPR-UHFFFAOYSA-N 2 0 331.504 3.132 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842677510 1321417485 /nfs/dbraw/zinc/41/74/85/1321417485.db2.gz AUBJFPPNCNLDKQ-UHFFFAOYSA-N 2 0 346.700 3.319 20 0 EGADRP CCOc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1OC(=O)CC ZINC000843054773 1321462829 /nfs/dbraw/zinc/46/28/29/1321462829.db2.gz GXBWAMNDFPXWDN-UHFFFAOYSA-N 2 0 334.460 3.102 20 0 EGADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(I)cc1 ZINC000843341876 1321502042 /nfs/dbraw/zinc/50/20/42/1321502042.db2.gz HZRSIPPUBADHOG-LBPRGKRZSA-N 2 0 346.256 3.461 20 0 EGADRP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000843387090 1321509273 /nfs/dbraw/zinc/50/92/73/1321509273.db2.gz OEEFUOBGQHKIKW-MRXNPFEDSA-N 2 0 329.488 3.214 20 0 EGADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc2ccccc2c1 ZINC000843387554 1321509542 /nfs/dbraw/zinc/50/95/42/1321509542.db2.gz SCRCETKSJOATFQ-IBGZPJMESA-N 2 0 337.467 3.100 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cccc(C[NH3+])c1 ZINC000844177868 1321575894 /nfs/dbraw/zinc/57/58/94/1321575894.db2.gz ITBSMAIAXCANST-UHFFFAOYSA-N 2 0 339.483 3.130 20 0 EGADRP CC[N@H+](CCCNC(=O)C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000844776820 1321645771 /nfs/dbraw/zinc/64/57/71/1321645771.db2.gz JPUKKVBOPHYPRQ-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000844922888 1321658323 /nfs/dbraw/zinc/65/83/23/1321658323.db2.gz CKQIMTAWSXDTJI-GOSISDBHSA-N 2 0 345.487 3.019 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845929519 1321755097 /nfs/dbraw/zinc/75/50/97/1321755097.db2.gz VHMLZYRUVLYWRE-CGZBRXJRSA-N 2 0 339.524 3.001 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)o1 ZINC000848894873 1322034096 /nfs/dbraw/zinc/03/40/96/1322034096.db2.gz PVNPTRPIBGFZBT-FPLPWBNLSA-N 2 0 334.460 3.068 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=[NH2+])NCC2CCC2)CC1 ZINC000849059356 1322062150 /nfs/dbraw/zinc/06/21/50/1322062150.db2.gz QVMOFVHPOLXZCR-UHFFFAOYSA-N 2 0 328.504 3.333 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849116357 1322084723 /nfs/dbraw/zinc/08/47/23/1322084723.db2.gz NIJURSGFOAUYLE-LBPRGKRZSA-N 2 0 344.381 3.253 20 0 EGADRP C[NH2+]CCC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923327983 1322734901 /nfs/dbraw/zinc/73/49/01/1322734901.db2.gz QMHIZKHVRMZCJB-NRFANRHFSA-N 2 0 326.484 3.065 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)c2cc1C(C)C ZINC000923483500 1322759728 /nfs/dbraw/zinc/75/97/28/1322759728.db2.gz AZUSPROQZIRBJK-OAHLLOKOSA-N 2 0 328.456 3.396 20 0 EGADRP C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923524952 1322769673 /nfs/dbraw/zinc/76/96/73/1322769673.db2.gz BANZDYWERLLRBJ-XJKSGUPXSA-N 2 0 340.920 3.177 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000924527573 1323043109 /nfs/dbraw/zinc/04/31/09/1323043109.db2.gz KDYUOCSDOFQUPI-SJORKVTESA-N 2 0 329.492 3.428 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(-n2cnnc2)c1 ZINC000924577584 1323061239 /nfs/dbraw/zinc/06/12/39/1323061239.db2.gz JYEUULUGUHIBML-KRWDZBQOSA-N 2 0 327.476 3.040 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[NH2+]C(C)(C)C ZINC000931174311 1329066850 /nfs/dbraw/zinc/06/68/50/1329066850.db2.gz YDXSKFVSWXSKNV-UHFFFAOYSA-N 2 0 349.544 3.261 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024040383 1323091465 /nfs/dbraw/zinc/09/14/65/1323091465.db2.gz HEVQWFMOUPNNGT-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024040387 1323091572 /nfs/dbraw/zinc/09/15/72/1323091572.db2.gz HEVQWFMOUPNNGT-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924670394 1323104965 /nfs/dbraw/zinc/10/49/65/1323104965.db2.gz ZPGMBWVTSFNIAL-SJORKVTESA-N 2 0 342.487 3.018 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001024091139 1323124220 /nfs/dbraw/zinc/12/42/20/1323124220.db2.gz YTNZQJICBKTRGV-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC1(C)OC[C@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)O1 ZINC000852087414 1323143950 /nfs/dbraw/zinc/14/39/50/1323143950.db2.gz ZSWWZBCGMLYZGR-IBGZPJMESA-N 2 0 344.499 3.126 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024156402 1323178872 /nfs/dbraw/zinc/17/88/72/1323178872.db2.gz MWNFOTBRGYSTHZ-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1(Br)CC1 ZINC000924862241 1323191184 /nfs/dbraw/zinc/19/11/84/1323191184.db2.gz PVMBETGCKSBQQK-ZDUSSCGKSA-N 2 0 341.293 3.033 20 0 EGADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000852563961 1323209482 /nfs/dbraw/zinc/20/94/82/1323209482.db2.gz XHVXBNPLHAPQNK-PMACEKPBSA-N 2 0 332.536 3.377 20 0 EGADRP COc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](CCC(C)C)CC3)C2)c1 ZINC000924932520 1323218845 /nfs/dbraw/zinc/21/88/45/1323218845.db2.gz CUJLZEWDKUKGMM-LJQANCHMSA-N 2 0 345.531 3.374 20 0 EGADRP COC1CCN(C(C)(C)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924998394 1323240733 /nfs/dbraw/zinc/24/07/33/1323240733.db2.gz BECGGONUWOFZGU-QGZVFWFLSA-N 2 0 347.547 3.288 20 0 EGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccccn1 ZINC000853097986 1323281582 /nfs/dbraw/zinc/28/15/82/1323281582.db2.gz DSPIIKKBXJIMNX-OAQYLSRUSA-N 2 0 339.483 3.281 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024436880 1323396299 /nfs/dbraw/zinc/39/62/99/1323396299.db2.gz JIXNFMAETFKUSO-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001024436501 1323396593 /nfs/dbraw/zinc/39/65/93/1323396593.db2.gz FFIWNOVQFXZHHW-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439532 1323403052 /nfs/dbraw/zinc/40/30/52/1323403052.db2.gz BIWFJZSYWFADCA-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024480000 1323433198 /nfs/dbraw/zinc/43/31/98/1323433198.db2.gz WHBNYSMUFJWQPS-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001024514329 1323465996 /nfs/dbraw/zinc/46/59/96/1323465996.db2.gz XTRHWNKFFYLXHZ-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001024514423 1323466163 /nfs/dbraw/zinc/46/61/63/1323466163.db2.gz ZEXOWCCEUJNGAW-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712262 1323618729 /nfs/dbraw/zinc/61/87/29/1323618729.db2.gz RXCVJKVRLFHXLI-FQEVSTJZSA-N 2 0 343.515 3.299 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737626 1323636890 /nfs/dbraw/zinc/63/68/90/1323636890.db2.gz KPNPOCLDWSLCAQ-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737628 1323637395 /nfs/dbraw/zinc/63/73/95/1323637395.db2.gz KPNPOCLDWSLCAQ-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001024760483 1323661368 /nfs/dbraw/zinc/66/13/68/1323661368.db2.gz UCXQXIIVUBDPDO-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024812193 1323716418 /nfs/dbraw/zinc/71/64/18/1323716418.db2.gz KCHBLGYAJPCIJE-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024812249 1323716774 /nfs/dbraw/zinc/71/67/74/1323716774.db2.gz MRPMWSVAMQCEFA-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024814146 1323718407 /nfs/dbraw/zinc/71/84/07/1323718407.db2.gz ORKLSYDZKXEAJK-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024961968 1323802215 /nfs/dbraw/zinc/80/22/15/1323802215.db2.gz GAGBDYWCMVGCFH-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001024979152 1323811261 /nfs/dbraw/zinc/81/12/61/1323811261.db2.gz MOXWZCLMCKXQEH-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024989634 1323815846 /nfs/dbraw/zinc/81/58/46/1323815846.db2.gz URAZYWCRKPVENJ-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001024992161 1323815985 /nfs/dbraw/zinc/81/59/85/1323815985.db2.gz NFDVLGKBBXQVNU-PMACEKPBSA-N 2 0 345.531 3.052 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001024998790 1323818042 /nfs/dbraw/zinc/81/80/42/1323818042.db2.gz JORIJPBAAAQUHJ-WOJBJXKFSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCC[N@H+]2C)cs1 ZINC001025003661 1323822378 /nfs/dbraw/zinc/82/23/78/1323822378.db2.gz XCIWOJQOBKTTCK-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025004750 1323822602 /nfs/dbraw/zinc/82/26/02/1323822602.db2.gz AZURWDOGSWCWJH-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001025038383 1323841768 /nfs/dbraw/zinc/84/17/68/1323841768.db2.gz VVSQLEOKPDBHTA-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001025073967 1323875542 /nfs/dbraw/zinc/87/55/42/1323875542.db2.gz YHZPQECRHFVUHH-WOJBJXKFSA-N 2 0 345.531 3.052 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001025137948 1323916228 /nfs/dbraw/zinc/91/62/28/1323916228.db2.gz BXPCGQBSAWMHFM-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025168400 1323937445 /nfs/dbraw/zinc/93/74/45/1323937445.db2.gz BXMAJEKXRXOYIZ-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025168596 1323937511 /nfs/dbraw/zinc/93/75/11/1323937511.db2.gz NXKAXPLZMJECEJ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239181 1324031336 /nfs/dbraw/zinc/03/13/36/1324031336.db2.gz CJOOBCVKUPTEAQ-QZTJIDSGSA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025245916 1324044746 /nfs/dbraw/zinc/04/47/46/1324044746.db2.gz AEFCZBHUEKXAMU-OALUTQOASA-N 2 0 340.471 3.203 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300059 1324132776 /nfs/dbraw/zinc/13/27/76/1324132776.db2.gz AYXSGQKDNRPYQK-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1C[NH+](C)C ZINC001025300841 1324133800 /nfs/dbraw/zinc/13/38/00/1324133800.db2.gz GIJDESBGGQURPI-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450896 1324293722 /nfs/dbraw/zinc/29/37/22/1324293722.db2.gz CDYDTBQFXJKRTF-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001025521661 1324365603 /nfs/dbraw/zinc/36/56/03/1324365603.db2.gz DWXWUQGKOGYFFQ-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557232 1324406157 /nfs/dbraw/zinc/40/61/57/1324406157.db2.gz FPRSSOKNVFQAKK-FXAWDEMLSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026502869 1324852751 /nfs/dbraw/zinc/85/27/51/1324852751.db2.gz DPKDFBGVCGNKAV-SOAGJPPSSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC001026561106 1324896596 /nfs/dbraw/zinc/89/65/96/1324896596.db2.gz ONVRZHGBDSTYRQ-KKXNLOMOSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001026610662 1324931444 /nfs/dbraw/zinc/93/14/44/1324931444.db2.gz REWBGUZRTBNERP-UHFFFAOYSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026839693 1325041871 /nfs/dbraw/zinc/04/18/71/1325041871.db2.gz DXQMRYPQZXRFSM-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000925242226 1325092310 /nfs/dbraw/zinc/09/23/10/1325092310.db2.gz YJIFMZSVPRFTRG-DOTOQJQBSA-N 2 0 331.460 3.349 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310268 1325094586 /nfs/dbraw/zinc/09/45/86/1325094586.db2.gz CWQAUNVLIMUYHJ-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925286057 1325114942 /nfs/dbraw/zinc/11/49/42/1325114942.db2.gz YSKVDIKMRYRBGR-YYWHXJBOSA-N 2 0 345.531 3.042 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001026988507 1325126726 /nfs/dbraw/zinc/12/67/26/1325126726.db2.gz IAVPTEWZRBQHAT-ROUUACIJSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC000963337780 1325128645 /nfs/dbraw/zinc/12/86/45/1325128645.db2.gz IHRGLTFBBPASQV-SGZDXZSOSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC000963344608 1325135416 /nfs/dbraw/zinc/13/54/16/1325135416.db2.gz QKJMQRKUFCMRFV-SGZDXZSOSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347064 1325137375 /nfs/dbraw/zinc/13/73/75/1325137375.db2.gz NOUYAGKYSFUBMX-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925421954 1325146420 /nfs/dbraw/zinc/14/64/20/1325146420.db2.gz HBAZCCRWKGBWRK-HNAYVOBHSA-N 2 0 328.456 3.141 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925555007 1325205758 /nfs/dbraw/zinc/20/57/58/1325205758.db2.gz CPJMIYAATRRFAD-QAPCUYQASA-N 2 0 333.907 3.349 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925565213 1325212205 /nfs/dbraw/zinc/21/22/05/1325212205.db2.gz YKLRJCZIJITNET-QFBILLFUSA-N 2 0 332.488 3.127 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925565306 1325213117 /nfs/dbraw/zinc/21/31/17/1325213117.db2.gz ZTLKQKVEBCXNJE-QHAWAJNXSA-N 2 0 341.543 3.326 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000925589590 1325222861 /nfs/dbraw/zinc/22/28/61/1325222861.db2.gz ZJQXDGDHOGUKDZ-ZWKOTPCHSA-N 2 0 341.503 3.286 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000963417576 1325226387 /nfs/dbraw/zinc/22/63/87/1325226387.db2.gz NWFNOMBHOOHDOS-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001027105154 1325230496 /nfs/dbraw/zinc/23/04/96/1325230496.db2.gz GHNQSSKPAAPHFY-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221791 1325230698 /nfs/dbraw/zinc/23/06/98/1325230698.db2.gz VODJUZYLNCQHHH-KNXBSLHKSA-N 2 0 334.463 3.421 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221794 1325230809 /nfs/dbraw/zinc/23/08/09/1325230809.db2.gz VODJUZYLNCQHHH-WQTXXOFMSA-N 2 0 334.463 3.421 20 0 EGADRP CCON1CCC([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000925613165 1325231996 /nfs/dbraw/zinc/23/19/96/1325231996.db2.gz AQPHQGZAHLUGHI-ICSRJNTNSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854232540 1325232545 /nfs/dbraw/zinc/23/25/45/1325232545.db2.gz SUZFDAKXFJCHSY-AEFFLSMTSA-N 2 0 344.503 3.007 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000925806079 1325308552 /nfs/dbraw/zinc/30/85/52/1325308552.db2.gz XSSZHGGVUWZCDS-OCCSQVGLSA-N 2 0 332.414 3.111 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CC[NH2+]CC3)cc1)CC2 ZINC000925810021 1325311771 /nfs/dbraw/zinc/31/17/71/1325311771.db2.gz UHPRUIHFMAZWHA-OAQYLSRUSA-N 2 0 339.458 3.008 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000925827865 1325318939 /nfs/dbraw/zinc/31/89/39/1325318939.db2.gz UXQIQMANISOJJL-OUCADQQQSA-N 2 0 325.250 3.132 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001027234855 1325328543 /nfs/dbraw/zinc/32/85/43/1325328543.db2.gz GOWIVAVVCSREPP-MHJFOBGBSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]1CC2(CC([NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)C2)CO1 ZINC000926377312 1325533178 /nfs/dbraw/zinc/53/31/78/1325533178.db2.gz JEPADYDADTVUGP-AFJQURTJSA-N 2 0 344.499 3.207 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000856930480 1325542623 /nfs/dbraw/zinc/54/26/23/1325542623.db2.gz WNIIOAGNOVQGCS-FXAWDEMLSA-N 2 0 343.515 3.100 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC[NH+](C)CC1 ZINC000926447354 1325558189 /nfs/dbraw/zinc/55/81/89/1325558189.db2.gz AYWGVFOQXXEJOL-IEBWSBKVSA-N 2 0 347.572 3.066 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926739510 1327693819 /nfs/dbraw/zinc/69/38/19/1327693819.db2.gz UECFETPGMLMTKA-FUHWJXTLSA-N 2 0 339.487 3.040 20 0 EGADRP CCc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)cc1 ZINC001027460039 1327704062 /nfs/dbraw/zinc/70/40/62/1327704062.db2.gz FVLGJQCOAIRETB-WOJBJXKFSA-N 2 0 345.531 3.012 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027464870 1327716800 /nfs/dbraw/zinc/71/68/00/1327716800.db2.gz IMWVAPDOZHOTOX-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001027579026 1327914821 /nfs/dbraw/zinc/91/48/21/1327914821.db2.gz AFEVXGRZTDTOQY-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001027963605 1328435065 /nfs/dbraw/zinc/43/50/65/1328435065.db2.gz BOUVLPJMOXKLAI-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCCC1CCC1)c1ccn2c[nH+]cc2c1 ZINC001028002764 1328465168 /nfs/dbraw/zinc/46/51/68/1328465168.db2.gz HZUFLQOPGMKLMY-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004256 1328466762 /nfs/dbraw/zinc/46/67/62/1328466762.db2.gz WQRSUNKQQNWFDR-QFBILLFUSA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028048219 1328513356 /nfs/dbraw/zinc/51/33/56/1328513356.db2.gz AOIPYQLVAZSMGR-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C(C)(C)C ZINC000865466404 1329701463 /nfs/dbraw/zinc/70/14/63/1329701463.db2.gz HEPICUCWKGXHNQ-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1C(C)(C)C ZINC000865530427 1329710064 /nfs/dbraw/zinc/71/00/64/1329710064.db2.gz ALTIQOBVMNBKPT-QGZVFWFLSA-N 2 0 347.547 3.108 20 0 EGADRP Fc1cc(OC(F)F)ccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000865545209 1329711715 /nfs/dbraw/zinc/71/17/15/1329711715.db2.gz DLJKQIDAEZYLAH-UHFFFAOYSA-N 2 0 328.378 3.391 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000865717139 1329732186 /nfs/dbraw/zinc/73/21/86/1329732186.db2.gz QEMXAXHKBWXKOI-UHFFFAOYSA-N 2 0 340.309 3.444 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700794 1329835002 /nfs/dbraw/zinc/83/50/02/1329835002.db2.gz BAPQJFMPGRJLKB-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000935050923 1330025562 /nfs/dbraw/zinc/02/55/62/1330025562.db2.gz KXFLWYIJGNIYGH-ACBHZAAOSA-N 2 0 335.536 3.019 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCC2CC[NH+](C(C)C)CC2)CC1 ZINC000866470594 1330116345 /nfs/dbraw/zinc/11/63/45/1330116345.db2.gz ZWXFJFPFNCMNKL-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1cccc(Cl)c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000866661968 1330138723 /nfs/dbraw/zinc/13/87/23/1330138723.db2.gz XVEMYFCFPPMHEQ-RZLSGREXSA-N 2 0 335.879 3.035 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941029613 1331300574 /nfs/dbraw/zinc/30/05/74/1331300574.db2.gz XVMBFFHYSFXNEY-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237091 1331401472 /nfs/dbraw/zinc/40/14/72/1331401472.db2.gz HLORQFOROXPGOD-IBGZPJMESA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942172695 1331859852 /nfs/dbraw/zinc/85/98/52/1331859852.db2.gz MBHOJSPFNCHITD-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558551 1331972964 /nfs/dbraw/zinc/97/29/64/1331972964.db2.gz YFYTXWIEQZADGF-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC000943756363 1332254504 /nfs/dbraw/zinc/25/45/04/1332254504.db2.gz OWTYLMQJMALXIR-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)C[C@@H]2C)CC1 ZINC000943756178 1332254777 /nfs/dbraw/zinc/25/47/77/1332254777.db2.gz MDHRVBOXVVPMSU-ICSRJNTNSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943308 1332459147 /nfs/dbraw/zinc/45/91/47/1332459147.db2.gz GPYATVKYUIGXPK-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]3CC2)CCC1 ZINC000946621357 1332864550 /nfs/dbraw/zinc/86/45/50/1332864550.db2.gz VVLZFEUGHRBHSA-HDICACEKSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808099 1332904676 /nfs/dbraw/zinc/90/46/76/1332904676.db2.gz IWRIGXDLXXSLEM-SLFFLAALSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC000947361603 1333103101 /nfs/dbraw/zinc/10/31/01/1333103101.db2.gz PXCCMBOQOUKMNB-YOEHRIQHSA-N 2 0 349.544 3.193 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC000947361805 1333103233 /nfs/dbraw/zinc/10/32/33/1333103233.db2.gz RLCSGFPENVLMTB-YOEHRIQHSA-N 2 0 349.544 3.193 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947474331 1333142193 /nfs/dbraw/zinc/14/21/93/1333142193.db2.gz RFIFEWXSJMEFTB-WMLDXEAASA-N 2 0 340.471 3.026 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CC3CCC3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947474332 1333142242 /nfs/dbraw/zinc/14/22/42/1333142242.db2.gz RFIFEWXSJMEFTB-YOEHRIQHSA-N 2 0 340.471 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947505722 1333149495 /nfs/dbraw/zinc/14/94/95/1333149495.db2.gz CZPBVRGSFPACAS-YJBOKZPZSA-N 2 0 342.487 3.353 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569062 1333174937 /nfs/dbraw/zinc/17/49/37/1333174937.db2.gz RHVNOPVWWBSFEH-HKUYNNGSSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1CCCCC1 ZINC000947725702 1333241499 /nfs/dbraw/zinc/24/14/99/1333241499.db2.gz BXBDVIDCZNEQMJ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055447 1333357168 /nfs/dbraw/zinc/35/71/68/1333357168.db2.gz CEJZLTAGJCYIQJ-PXNSSMCTSA-N 2 0 345.531 3.377 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948245400 1333439678 /nfs/dbraw/zinc/43/96/78/1333439678.db2.gz QAWUHEVRSBKFLL-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000948246641 1333440225 /nfs/dbraw/zinc/44/02/25/1333440225.db2.gz ZGRZIKIISJGYHJ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374318 1333500346 /nfs/dbraw/zinc/50/03/46/1333500346.db2.gz UYBGLIUIRVUTSH-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948374781 1333501216 /nfs/dbraw/zinc/50/12/16/1333501216.db2.gz YNUCBUUUDPDSJZ-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435691 1333523995 /nfs/dbraw/zinc/52/39/95/1333523995.db2.gz NVMSQGJSLVDTEG-VQTJNVASSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948439017 1333525425 /nfs/dbraw/zinc/52/54/25/1333525425.db2.gz FUWPRYUXGGRXDG-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948439016 1333525565 /nfs/dbraw/zinc/52/55/65/1333525565.db2.gz FUWPRYUXGGRXDG-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473792 1333539540 /nfs/dbraw/zinc/53/95/40/1333539540.db2.gz LELRYXIOXOYFCP-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948553920 1333572578 /nfs/dbraw/zinc/57/25/78/1333572578.db2.gz OGRNYZLLUJNJTC-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948553824 1333572723 /nfs/dbraw/zinc/57/27/23/1333572723.db2.gz LWLMYVYEYQLPPD-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594436 1333589314 /nfs/dbraw/zinc/58/93/14/1333589314.db2.gz MENNHKLHFNDQCV-IAGOWNOFSA-N 2 0 346.450 3.009 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620879 1333599676 /nfs/dbraw/zinc/59/96/76/1333599676.db2.gz KABXACCKPPVFSL-NVXWUHKLSA-N 2 0 346.450 3.009 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948775515 1333674549 /nfs/dbraw/zinc/67/45/49/1333674549.db2.gz KIOFNDJSODASOV-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000948886897 1333719417 /nfs/dbraw/zinc/71/94/17/1333719417.db2.gz SGTIFZOKBHTQFP-GOSISDBHSA-N 2 0 346.519 3.236 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000951200503 1334204391 /nfs/dbraw/zinc/20/43/91/1334204391.db2.gz AFGGCKSUCUSKSB-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000951616431 1334279739 /nfs/dbraw/zinc/27/97/39/1334279739.db2.gz JMYVMFZWABIUOY-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3cc(Br)cnc32)CC1 ZINC001205124553 1370658230 /nfs/dbraw/zinc/65/82/30/1370658230.db2.gz VDXVETMHXXJRLJ-OAHLLOKOSA-N 2 0 334.261 3.311 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968851772 1336067393 /nfs/dbraw/zinc/06/73/93/1336067393.db2.gz ZCRBVMGDEVHRTG-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968882012 1336078114 /nfs/dbraw/zinc/07/81/14/1336078114.db2.gz DZHPHNACAHSDGE-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968882013 1336078395 /nfs/dbraw/zinc/07/83/95/1336078395.db2.gz DZHPHNACAHSDGE-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968936940 1336096326 /nfs/dbraw/zinc/09/63/26/1336096326.db2.gz VLZHSOVHNXNSNN-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccc(F)cc1 ZINC000968989240 1336111978 /nfs/dbraw/zinc/11/19/78/1336111978.db2.gz GEHCZBSFXPJMHZ-QRVBRYPASA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000969170712 1336170625 /nfs/dbraw/zinc/17/06/25/1336170625.db2.gz UVXPDDTVLBFNPS-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000969353905 1336203129 /nfs/dbraw/zinc/20/31/29/1336203129.db2.gz ZDHUKDFSOZXWNY-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005503253 1336363075 /nfs/dbraw/zinc/36/30/75/1336363075.db2.gz JKDWVNMGWDMEGC-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001005567619 1336372284 /nfs/dbraw/zinc/37/22/84/1336372284.db2.gz AGTLLXMVRPVCMH-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005874220 1336414273 /nfs/dbraw/zinc/41/42/73/1336414273.db2.gz WASUVFPEKXSEKO-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC001006185678 1336463879 /nfs/dbraw/zinc/46/38/79/1336463879.db2.gz ZXMHWKZOLGULTA-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001006397964 1336499251 /nfs/dbraw/zinc/49/92/51/1336499251.db2.gz BZLDXYWAJGICIP-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)c1 ZINC001006412578 1336501095 /nfs/dbraw/zinc/50/10/95/1336501095.db2.gz HHQKNMKLIDIGCT-GOSISDBHSA-N 2 0 343.515 3.075 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006444012 1336507100 /nfs/dbraw/zinc/50/71/00/1336507100.db2.gz PDGMULVUMMURKM-HDICACEKSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006443388 1336507116 /nfs/dbraw/zinc/50/71/16/1336507116.db2.gz CJAXJSUVJBGJHW-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007500150 1336658859 /nfs/dbraw/zinc/65/88/59/1336658859.db2.gz QYXIUDFYJJJUKO-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007748996 1336694410 /nfs/dbraw/zinc/69/44/10/1336694410.db2.gz TVYOQUCECLGWQL-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCCC2CCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008053098 1336759420 /nfs/dbraw/zinc/75/94/20/1336759420.db2.gz RFNWNJYNUFVFPG-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001008162942 1336782916 /nfs/dbraw/zinc/78/29/16/1336782916.db2.gz NORIMXFUCRGWMV-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001008267642 1336810448 /nfs/dbraw/zinc/81/04/48/1336810448.db2.gz BUKKPZFOLWKCMI-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001008403227 1336843460 /nfs/dbraw/zinc/84/34/60/1336843460.db2.gz FFKWQEWXYJDQHT-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001008531861 1336876865 /nfs/dbraw/zinc/87/68/65/1336876865.db2.gz MPOKEIQGMZLDCX-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001008530312 1336876888 /nfs/dbraw/zinc/87/68/88/1336876888.db2.gz IXGVDAOIKWTWQT-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001008551355 1336879864 /nfs/dbraw/zinc/87/98/64/1336879864.db2.gz OYINZDSLGDDLEW-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008553597 1336880255 /nfs/dbraw/zinc/88/02/55/1336880255.db2.gz VMMHPRHUDGJJFE-HKUYNNGSSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001008763758 1336922679 /nfs/dbraw/zinc/92/26/79/1336922679.db2.gz ANXRLFKQTCSWSN-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001014423568 1337773391 /nfs/dbraw/zinc/77/33/91/1337773391.db2.gz KAVXRTOFJXRPGE-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001014705362 1337876494 /nfs/dbraw/zinc/87/64/94/1337876494.db2.gz OWAOVDFHYCOCAA-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291558 1338086471 /nfs/dbraw/zinc/08/64/71/1338086471.db2.gz SVLUDXSVYJNIKH-ICSRJNTNSA-N 2 0 348.450 3.290 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCCC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015387994 1338120948 /nfs/dbraw/zinc/12/09/48/1338120948.db2.gz OHNCMHBNVIRKGC-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC001015506876 1338161867 /nfs/dbraw/zinc/16/18/67/1338161867.db2.gz ZSHDRUUDCQQMCL-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015793963 1338313275 /nfs/dbraw/zinc/31/32/75/1338313275.db2.gz DIXNVXCRZBXMEN-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015796221 1338315505 /nfs/dbraw/zinc/31/55/05/1338315505.db2.gz WCTCWYIXBQYSIT-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016611693 1338663761 /nfs/dbraw/zinc/66/37/61/1338663761.db2.gz FEDGANMCTRONSL-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016652018 1338679048 /nfs/dbraw/zinc/67/90/48/1338679048.db2.gz NIHGZEKRHJWQNC-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016652999 1338679704 /nfs/dbraw/zinc/67/97/04/1338679704.db2.gz YEKDJRCZZHBTHV-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016661194 1338682512 /nfs/dbraw/zinc/68/25/12/1338682512.db2.gz DHHFQWZTMRSAAA-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016830766 1338740366 /nfs/dbraw/zinc/74/03/66/1338740366.db2.gz VIVZCCIMTZWRTM-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860660 1338750067 /nfs/dbraw/zinc/75/00/67/1338750067.db2.gz JQXDGNQPLBQTLT-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC1 ZINC001016891186 1338760653 /nfs/dbraw/zinc/76/06/53/1338760653.db2.gz BZIXXFPDZVLOFT-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001017143033 1338895097 /nfs/dbraw/zinc/89/50/97/1338895097.db2.gz RBAOQCSKDMBBNP-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001017194201 1338939503 /nfs/dbraw/zinc/93/95/03/1338939503.db2.gz QYCQMAHDHVNYIJ-UYAOXDASSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017696306 1339393434 /nfs/dbraw/zinc/39/34/34/1339393434.db2.gz QQYUQCRXFBPELQ-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018837790 1339735716 /nfs/dbraw/zinc/73/57/16/1339735716.db2.gz RCMJYRMGWZQHDI-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093305 1340421747 /nfs/dbraw/zinc/42/17/47/1340421747.db2.gz JTUYOMBFGSVUMH-RBUKOAKNSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001028181493 1340472154 /nfs/dbraw/zinc/47/21/54/1340472154.db2.gz UGZSXBUQTWRHJZ-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235486 1340497160 /nfs/dbraw/zinc/49/71/60/1340497160.db2.gz YXUJRFZEKLNMBT-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001028635811 1340737794 /nfs/dbraw/zinc/73/77/94/1340737794.db2.gz GUGOVUJLHSHIJX-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028658637 1340744279 /nfs/dbraw/zinc/74/42/79/1340744279.db2.gz BMTKKBNYCHFKPH-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692923 1340760919 /nfs/dbraw/zinc/76/09/19/1340760919.db2.gz DRCQSLJOTBEASQ-IRXDYDNUSA-N 2 0 348.450 3.147 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001028761942 1340797304 /nfs/dbraw/zinc/79/73/04/1340797304.db2.gz CRMPGLYYZOIBOO-IHPCNDPISA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028844772 1340856407 /nfs/dbraw/zinc/85/64/07/1340856407.db2.gz CECSEUJKNYLNMC-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001029065555 1340922164 /nfs/dbraw/zinc/92/21/64/1340922164.db2.gz HSJUFOOPCAQSPG-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029099892 1340930007 /nfs/dbraw/zinc/93/00/07/1340930007.db2.gz XWXJVXWJVNWLBH-YLJYHZDGSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001029108179 1340931622 /nfs/dbraw/zinc/93/16/22/1340931622.db2.gz XTGWMKZWKPAVEK-UZLBHIALSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001029111332 1340932305 /nfs/dbraw/zinc/93/23/05/1340932305.db2.gz GGXQDMAQZFFWNL-VQIMIIECSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001029144137 1340942076 /nfs/dbraw/zinc/94/20/76/1340942076.db2.gz BTRKSWSJLNDICH-PXNSSMCTSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029154796 1340944786 /nfs/dbraw/zinc/94/47/86/1340944786.db2.gz PRZKTMKOZNKLFK-YLJYHZDGSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CC3CCC3)CC2)CC1 ZINC001029162954 1340946046 /nfs/dbraw/zinc/94/60/46/1340946046.db2.gz IDPNLNNVCOKTDH-QGZVFWFLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1)[NH+]1CCCC1 ZINC001029173611 1340948660 /nfs/dbraw/zinc/94/86/60/1340948660.db2.gz SMLMQXDCYKVFOA-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001029359685 1340977234 /nfs/dbraw/zinc/97/72/34/1340977234.db2.gz HDOURUWBNPYVMV-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001029553629 1341011331 /nfs/dbraw/zinc/01/13/31/1341011331.db2.gz XCPANTXBGQBIAD-HCXYKTFWSA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029596272 1341018624 /nfs/dbraw/zinc/01/86/24/1341018624.db2.gz HOIMKHOHVBZNHW-HSALFYBXSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1)CC1CCCCC1 ZINC001029759017 1341064527 /nfs/dbraw/zinc/06/45/27/1341064527.db2.gz JNYDWPUIVSTWJV-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029758843 1341064724 /nfs/dbraw/zinc/06/47/24/1341064724.db2.gz GRGANAUYWUFZOS-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001029973864 1341140531 /nfs/dbraw/zinc/14/05/31/1341140531.db2.gz QUFZSZKGXOVDBT-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001030021646 1341159895 /nfs/dbraw/zinc/15/98/95/1341159895.db2.gz NOSWXCMPJSMNQT-FHWLQOOXSA-N 2 0 349.494 3.198 20 0 EGADRP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001030306089 1341177719 /nfs/dbraw/zinc/17/77/19/1341177719.db2.gz KATPQWZHURSHIY-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001030441808 1341187698 /nfs/dbraw/zinc/18/76/98/1341187698.db2.gz GSTBKFFWGYBJOS-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031667160 1341385608 /nfs/dbraw/zinc/38/56/08/1341385608.db2.gz ZYAVPGHLSUZLEU-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766346 1341398789 /nfs/dbraw/zinc/39/87/89/1341398789.db2.gz GHWGIOXXFTXDPQ-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1c(C(=O)NCC2C[NH+]([C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001031800348 1341403811 /nfs/dbraw/zinc/40/38/11/1341403811.db2.gz MDNLEBRFVSCEHG-HNNXBMFYSA-N 2 0 348.450 3.066 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001032026281 1341441761 /nfs/dbraw/zinc/44/17/61/1341441761.db2.gz BRKGGZCKCDWTLO-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001032119003 1341458727 /nfs/dbraw/zinc/45/87/27/1341458727.db2.gz DZZQBUKNMQSOST-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001032129025 1341460007 /nfs/dbraw/zinc/46/00/07/1341460007.db2.gz OTEYXMWSAFUTPI-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032609740 1341558049 /nfs/dbraw/zinc/55/80/49/1341558049.db2.gz ICBLNOXIYQBYHK-VNTMZGSJSA-N 2 0 343.515 3.009 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1 ZINC001032801339 1341618251 /nfs/dbraw/zinc/61/82/51/1341618251.db2.gz QYJBDEKIDYYHDG-PMACEKPBSA-N 2 0 345.531 3.038 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001033467704 1341837777 /nfs/dbraw/zinc/83/77/77/1341837777.db2.gz QNZGQRJKMFYLAZ-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001033473515 1341840814 /nfs/dbraw/zinc/84/08/14/1341840814.db2.gz ALKVWOAGVJSJRN-UUKMXZOPSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001033549596 1341867308 /nfs/dbraw/zinc/86/73/08/1341867308.db2.gz CKUTZEJXKJWRPD-GOSISDBHSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001034046889 1342185791 /nfs/dbraw/zinc/18/57/91/1342185791.db2.gz VVASSCKNHNFYDU-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC001034046736 1342185818 /nfs/dbraw/zinc/18/58/18/1342185818.db2.gz VABCTIMGQLHLDF-LPHOPBHVSA-N 2 0 349.494 3.033 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034203612 1342314525 /nfs/dbraw/zinc/31/45/25/1342314525.db2.gz FUUPVPOYTQXQHC-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034238479 1342339639 /nfs/dbraw/zinc/33/96/39/1342339639.db2.gz CQMKEOMYQIFZID-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034240506 1342341016 /nfs/dbraw/zinc/34/10/16/1342341016.db2.gz QMVSHQJAQJIWDZ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308583 1342391668 /nfs/dbraw/zinc/39/16/68/1342391668.db2.gz CUPITYXNLCZLSL-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001034364104 1342434475 /nfs/dbraw/zinc/43/44/75/1342434475.db2.gz QTNZTRQXRYGYDD-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034367109 1342437563 /nfs/dbraw/zinc/43/75/63/1342437563.db2.gz DACHGEDESXIDKU-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034367107 1342437780 /nfs/dbraw/zinc/43/77/80/1342437780.db2.gz DACHGEDESXIDKU-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034436775 1342499270 /nfs/dbraw/zinc/49/92/70/1342499270.db2.gz CGNVVJVLSVVVNH-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034440008 1342501873 /nfs/dbraw/zinc/50/18/73/1342501873.db2.gz YIFVQYCBBXIQLL-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445031 1342505217 /nfs/dbraw/zinc/50/52/17/1342505217.db2.gz PGDHTBVOCDIBTI-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC)C1 ZINC001034481134 1342538521 /nfs/dbraw/zinc/53/85/21/1342538521.db2.gz QURGPKNVEDEQOW-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)CC1)[NH+]1CCCC1 ZINC001034704757 1342702121 /nfs/dbraw/zinc/70/21/21/1342702121.db2.gz VWAHCCLDCXQDTH-IYARVYRRSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034715497 1342710866 /nfs/dbraw/zinc/71/08/66/1342710866.db2.gz MMBABIPWICXBTH-ZHALLVOQSA-N 2 0 335.536 3.211 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034717520 1342712247 /nfs/dbraw/zinc/71/22/47/1342712247.db2.gz YKRKORMAGQNSNU-IYARVYRRSA-N 2 0 347.503 3.162 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)[NH+]1CCCCC1 ZINC001034938205 1342843919 /nfs/dbraw/zinc/84/39/19/1342843919.db2.gz JIYVRKWFEGCUFL-QGZVFWFLSA-N 2 0 349.544 3.093 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001034959907 1342854461 /nfs/dbraw/zinc/85/44/61/1342854461.db2.gz ISLHBTJXOSFHKS-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC001034995271 1342868581 /nfs/dbraw/zinc/86/85/81/1342868581.db2.gz QQMFBVMTVXARJH-OXQOHEQNSA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035071590 1342911707 /nfs/dbraw/zinc/91/17/07/1342911707.db2.gz YXHHJMKDYGWENJ-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001035102155 1342927350 /nfs/dbraw/zinc/92/73/50/1342927350.db2.gz KLMPGHXIIZICBX-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001035126250 1342944338 /nfs/dbraw/zinc/94/43/38/1342944338.db2.gz WMPPUDCRZXSMGP-RTBURBONSA-N 2 0 343.515 3.041 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819881 1357100159 /nfs/dbraw/zinc/10/01/59/1357100159.db2.gz SZWJCIMJRFZNDO-MOPGFXCFSA-N 2 0 343.515 3.035 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035721633 1343152145 /nfs/dbraw/zinc/15/21/45/1343152145.db2.gz XOCXJQXVZUAVDG-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810514 1343210171 /nfs/dbraw/zinc/21/01/71/1343210171.db2.gz NKVZTXKMXKRPCH-LJQANCHMSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001036297217 1343402420 /nfs/dbraw/zinc/40/24/20/1343402420.db2.gz KMPAAJQDMJORHT-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036312264 1343413446 /nfs/dbraw/zinc/41/34/46/1343413446.db2.gz STBWMZRFPSUJMM-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037857098 1344142351 /nfs/dbraw/zinc/14/23/51/1344142351.db2.gz SUXVQIRBLGTKOO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037861347 1344146399 /nfs/dbraw/zinc/14/63/99/1344146399.db2.gz QXZIMVCYFTXOQI-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1[NH2+]C(C)C ZINC001037924538 1344184483 /nfs/dbraw/zinc/18/44/83/1344184483.db2.gz IMRMYVJFJPKQBY-ICSRJNTNSA-N 2 0 345.531 3.029 20 0 EGADRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001037978657 1344217354 /nfs/dbraw/zinc/21/73/54/1344217354.db2.gz MUMVSZWAIWPPDU-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1[NH2+]CC(C)C ZINC001037982031 1344219422 /nfs/dbraw/zinc/21/94/22/1344219422.db2.gz INDCIRQUEUQBSW-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038464249 1344434996 /nfs/dbraw/zinc/43/49/96/1344434996.db2.gz CEJURCFANKLAIE-APWZRJJASA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140092 1344820108 /nfs/dbraw/zinc/82/01/08/1344820108.db2.gz QLTGOTYIGVCTED-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039150598 1344834166 /nfs/dbraw/zinc/83/41/66/1344834166.db2.gz ACHGWSIXFIPLNS-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241780 1344967847 /nfs/dbraw/zinc/96/78/47/1344967847.db2.gz IIWPGSWOIOZVCT-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039282990 1344995722 /nfs/dbraw/zinc/99/57/22/1344995722.db2.gz YMPUNQBDXYTACB-IPQPSQTFSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039288960 1344998029 /nfs/dbraw/zinc/99/80/29/1344998029.db2.gz LFJHXZUIPUJFDV-QZNYNHHHSA-N 2 0 347.547 3.304 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039289649 1344998550 /nfs/dbraw/zinc/99/85/50/1344998550.db2.gz WNEDHWJZVQQOEQ-HRVKUGKESA-N 2 0 335.536 3.161 20 0 EGADRP CCc1nccn1[C@@H](C)CC(=O)N1CCC([N@H+](CC)CC2CC2)CC1 ZINC001039486015 1345104046 /nfs/dbraw/zinc/10/40/46/1345104046.db2.gz XKFDCJZMHZZQSB-INIZCTEOSA-N 2 0 346.519 3.120 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001039528971 1345131570 /nfs/dbraw/zinc/13/15/70/1345131570.db2.gz VIUKQSAYDJKRGB-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039652648 1345153240 /nfs/dbraw/zinc/15/32/40/1345153240.db2.gz ITTJGCAMWIYINB-GBESFXJTSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001039658267 1345153783 /nfs/dbraw/zinc/15/37/83/1345153783.db2.gz CNIIZSHQXWNYLS-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240046 1345390056 /nfs/dbraw/zinc/39/00/56/1345390056.db2.gz CFCZCCVTNSXJSX-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040242221 1345393109 /nfs/dbraw/zinc/39/31/09/1345393109.db2.gz XGZGWJBKNDETOL-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275159 1345407586 /nfs/dbraw/zinc/40/75/86/1345407586.db2.gz JADCASWQXQFYJC-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327612 1345433998 /nfs/dbraw/zinc/43/39/98/1345433998.db2.gz GGYNKMNVGPIWHY-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040355292 1345450896 /nfs/dbraw/zinc/45/08/96/1345450896.db2.gz ALSGHBYIFSRUEP-HXUWFJFHSA-N 2 0 347.503 3.069 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040487733 1345516943 /nfs/dbraw/zinc/51/69/43/1345516943.db2.gz GQKFSFXHSRNGRG-PZJWPPBQSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543623 1345539481 /nfs/dbraw/zinc/53/94/81/1345539481.db2.gz PVZBRZRNKXTYNB-OAQYLSRUSA-N 2 0 347.547 3.143 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2)[NH+]1CCCCC1 ZINC001040545069 1345539923 /nfs/dbraw/zinc/53/99/23/1345539923.db2.gz MKSCYJMFEPCHJN-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040701729 1345567828 /nfs/dbraw/zinc/56/78/28/1345567828.db2.gz OLNJWVSESIGIBS-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)CC1 ZINC001040755528 1345575348 /nfs/dbraw/zinc/57/53/48/1345575348.db2.gz UIDVGCAQTHGZRN-UHFFFAOYSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040912232 1345598709 /nfs/dbraw/zinc/59/87/09/1345598709.db2.gz MQOJQYWWZMMFSL-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041373871 1345711614 /nfs/dbraw/zinc/71/16/14/1345711614.db2.gz YPJXNPMYWDREKD-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041373399 1345711870 /nfs/dbraw/zinc/71/18/70/1345711870.db2.gz UQWXLEQHKMBIQH-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724488 1345832573 /nfs/dbraw/zinc/83/25/73/1345832573.db2.gz YYXGQGQSZIDAOU-CTNGQTDRSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368580 1346059163 /nfs/dbraw/zinc/05/91/63/1346059163.db2.gz RXQCXIUPGNBCME-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044005614 1346232329 /nfs/dbraw/zinc/23/23/29/1346232329.db2.gz WMCKCFMURPJLSF-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001044005916 1346232630 /nfs/dbraw/zinc/23/26/30/1346232630.db2.gz ITDNIGGZLJJYMW-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001044008102 1346232913 /nfs/dbraw/zinc/23/29/13/1346232913.db2.gz RLGHZAKVYRUVNC-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCC2)C1 ZINC001044170921 1346265423 /nfs/dbraw/zinc/26/54/23/1346265423.db2.gz XVAUMUHTUUNOPR-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630353 1346387449 /nfs/dbraw/zinc/38/74/49/1346387449.db2.gz VURIZRPUFLZGAV-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767626 1346424397 /nfs/dbraw/zinc/42/43/97/1346424397.db2.gz QBMICHGCQHTMMP-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767628 1346424520 /nfs/dbraw/zinc/42/45/20/1346424520.db2.gz QBMICHGCQHTMMP-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001044778236 1346426556 /nfs/dbraw/zinc/42/65/56/1346426556.db2.gz XWZQDKVAYMYWMF-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044879768 1346453215 /nfs/dbraw/zinc/45/32/15/1346453215.db2.gz QPRNLKXLJTVFHW-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044879772 1346453409 /nfs/dbraw/zinc/45/34/09/1346453409.db2.gz QPRNLKXLJTVFHW-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044881220 1346453623 /nfs/dbraw/zinc/45/36/23/1346453623.db2.gz UXVMKPLCYMKGJN-FUHWJXTLSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045104314 1346495462 /nfs/dbraw/zinc/49/54/62/1346495462.db2.gz YLCUZFKDDSZNMW-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)[NH+]1CCCCCC1 ZINC001045228877 1346536458 /nfs/dbraw/zinc/53/64/58/1346536458.db2.gz DVGUQLCCLNOEON-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccccc1Cl ZINC001045310883 1346556049 /nfs/dbraw/zinc/55/60/49/1346556049.db2.gz VUPKOONRZRHMAJ-HOTGVXAUSA-N 2 0 349.906 3.077 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045322821 1346560053 /nfs/dbraw/zinc/56/00/53/1346560053.db2.gz NZMBKNLSBWDKEQ-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001045438129 1346593892 /nfs/dbraw/zinc/59/38/92/1346593892.db2.gz JZLMDRDMVLVUPF-GOSISDBHSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001045437999 1346594168 /nfs/dbraw/zinc/59/41/68/1346594168.db2.gz IKGWXULJQZSYGC-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045557780 1346628792 /nfs/dbraw/zinc/62/87/92/1346628792.db2.gz VKRWKAYBTKSWNC-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045609562 1346646745 /nfs/dbraw/zinc/64/67/45/1346646745.db2.gz ZBRQKVRPBIYHQF-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001045639774 1346655775 /nfs/dbraw/zinc/65/57/75/1346655775.db2.gz RDSDXTOATITSMF-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001045858252 1346723222 /nfs/dbraw/zinc/72/32/22/1346723222.db2.gz GMYWPRVYHUZROJ-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045944219 1346780214 /nfs/dbraw/zinc/78/02/14/1346780214.db2.gz ZZCTWXOBPHPSOK-TZIWHRDSSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961096 1346796360 /nfs/dbraw/zinc/79/63/60/1346796360.db2.gz GHTIGJKZXTXMST-PZJWPPBQSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961097 1346796416 /nfs/dbraw/zinc/79/64/16/1346796416.db2.gz GHTIGJKZXTXMST-TZIWHRDSSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965146 1346800659 /nfs/dbraw/zinc/80/06/59/1346800659.db2.gz FGRWNYIIPFDRKW-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966829 1346802355 /nfs/dbraw/zinc/80/23/55/1346802355.db2.gz HFYMHUXYZJOFBF-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045972251 1346807640 /nfs/dbraw/zinc/80/76/40/1346807640.db2.gz XGOWXERSSJPFBZ-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001045984678 1346825576 /nfs/dbraw/zinc/82/55/76/1346825576.db2.gz GLBVMWGQMWGCPE-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001046316276 1346931847 /nfs/dbraw/zinc/93/18/47/1346931847.db2.gz NKGLKXIXTOZRKV-MJGOQNOKSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046368916 1346951896 /nfs/dbraw/zinc/95/18/96/1346951896.db2.gz KFMLNGGVJRJRHC-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046437955 1346975560 /nfs/dbraw/zinc/97/55/60/1346975560.db2.gz YCJKHJZAIACCAX-FQEVSTJZSA-N 2 0 342.487 3.273 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046558658 1347016230 /nfs/dbraw/zinc/01/62/30/1347016230.db2.gz UPAFXGJGAVHXOS-AZUAARDMSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CCC)CC2)C1 ZINC001047241283 1347267725 /nfs/dbraw/zinc/26/77/25/1347267725.db2.gz PGZDNTAEBAQCEG-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](CC=C(C)C)CC2)C1)[NH+](C)C ZINC001047258255 1347281271 /nfs/dbraw/zinc/28/12/71/1347281271.db2.gz YSRHIHJMSVIRMD-PMACEKPBSA-N 2 0 349.563 3.243 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049462690 1347861351 /nfs/dbraw/zinc/86/13/51/1347861351.db2.gz ABKDJLVQFTTYHU-XUVXKRRUSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049526701 1347892989 /nfs/dbraw/zinc/89/29/89/1347892989.db2.gz WJWJSLJAUPEDNN-HSALFYBXSA-N 2 0 347.547 3.281 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049550480 1347903297 /nfs/dbraw/zinc/90/32/97/1347903297.db2.gz MGZCHXLQQPOFGR-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595029 1347928166 /nfs/dbraw/zinc/92/81/66/1347928166.db2.gz RHASPETWKPIBAM-SNRMKQJTSA-N 2 0 340.471 3.059 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049663760 1347962863 /nfs/dbraw/zinc/96/28/63/1347962863.db2.gz NDDDFJJDSHRNBX-VAMGGRTRSA-N 2 0 347.547 3.259 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716668 1347988958 /nfs/dbraw/zinc/98/89/58/1347988958.db2.gz GDRIROBDHWURPA-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719676 1347989851 /nfs/dbraw/zinc/98/98/51/1347989851.db2.gz RYUQRRRNEFHJSK-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049725173 1347991506 /nfs/dbraw/zinc/99/15/06/1347991506.db2.gz VRAMZOGZPXIVNN-HOJAQTOUSA-N 2 0 345.531 3.036 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049918896 1348112019 /nfs/dbraw/zinc/11/20/19/1348112019.db2.gz NHXJRPLYDLVICG-IPMKNSEASA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049922518 1348114634 /nfs/dbraw/zinc/11/46/34/1348114634.db2.gz ZLNVPIPEEWFSMU-UXHICEINSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001050252430 1348219016 /nfs/dbraw/zinc/21/90/16/1348219016.db2.gz KDBXNGCEOZTNSX-VQTJNVASSA-N 2 0 343.515 3.160 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001050302078 1348227799 /nfs/dbraw/zinc/22/77/99/1348227799.db2.gz AUVUXDKAKSSFJW-ZULIPRJHSA-N 2 0 343.515 3.106 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050358153 1348237115 /nfs/dbraw/zinc/23/71/15/1348237115.db2.gz HQRPPTJZKZTFIJ-SAABIXHNSA-N 2 0 347.503 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001050386366 1348246586 /nfs/dbraw/zinc/24/65/86/1348246586.db2.gz OLQJQXGYEPZZSX-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001079848532 1357400623 /nfs/dbraw/zinc/40/06/23/1357400623.db2.gz APDDAIASTBISPI-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050688278 1348327801 /nfs/dbraw/zinc/32/78/01/1348327801.db2.gz ZQVIUFXHWASYLN-IBGZPJMESA-N 2 0 347.547 3.140 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001052486351 1348553784 /nfs/dbraw/zinc/55/37/84/1348553784.db2.gz LFVJCQNRNINZBO-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccn2c[nH+]cc2c1 ZINC001052531663 1348567662 /nfs/dbraw/zinc/56/76/62/1348567662.db2.gz MJIMKYPENUGEKG-LJQANCHMSA-N 2 0 348.450 3.119 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001052658596 1348617246 /nfs/dbraw/zinc/61/72/46/1348617246.db2.gz SPIUPNFRXKOQAH-YSIASYRMSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052715274 1348645671 /nfs/dbraw/zinc/64/56/71/1348645671.db2.gz BTVVCFHYLBSYGB-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001052764717 1348669466 /nfs/dbraw/zinc/66/94/66/1348669466.db2.gz RJXUAROYFGSULW-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001052764720 1348669533 /nfs/dbraw/zinc/66/95/33/1348669533.db2.gz RMTVKANRCIVJPO-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766663 1348670764 /nfs/dbraw/zinc/67/07/64/1348670764.db2.gz KCJKLUDMWRBNSY-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052868893 1348710583 /nfs/dbraw/zinc/71/05/83/1348710583.db2.gz YLYGDXKFVWXWFT-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933769 1348754459 /nfs/dbraw/zinc/75/44/59/1348754459.db2.gz FNCCHNROFPHJQQ-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955271 1348769383 /nfs/dbraw/zinc/76/93/83/1348769383.db2.gz BTNCCLACBZZSPK-HKUYNNGSSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052955185 1348769650 /nfs/dbraw/zinc/76/96/50/1348769650.db2.gz AIDOQFFMHDNNCS-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052955908 1348769877 /nfs/dbraw/zinc/76/98/77/1348769877.db2.gz LGNXZSMGANOBRH-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029899 1348829124 /nfs/dbraw/zinc/82/91/24/1348829124.db2.gz XZXRLQHWGRHHRU-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100202 1348933770 /nfs/dbraw/zinc/93/37/70/1348933770.db2.gz FERYQIJPRNDKTK-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053102870 1348936408 /nfs/dbraw/zinc/93/64/08/1348936408.db2.gz WPBGDTCQEWLBEL-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CCC1 ZINC001054143730 1349153974 /nfs/dbraw/zinc/15/39/74/1349153974.db2.gz IYGBZDSMTXLQOG-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209052 1349210915 /nfs/dbraw/zinc/21/09/15/1349210915.db2.gz HHWAKQMHFCMHHA-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C(C)C)CC3)cc2C1 ZINC001054288118 1349291315 /nfs/dbraw/zinc/29/13/15/1349291315.db2.gz LDTRFXXIVRTBTA-UHFFFAOYSA-N 2 0 343.515 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054798602 1349465312 /nfs/dbraw/zinc/46/53/12/1349465312.db2.gz XKTDVZKZZPJTRK-ACJLOTCBSA-N 2 0 340.471 3.049 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001080557167 1357677755 /nfs/dbraw/zinc/67/77/55/1357677755.db2.gz IRIJYKKKPUMPQZ-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@@H+]1CCC(C)(C)C ZINC001071606019 1354792412 /nfs/dbraw/zinc/79/24/12/1354792412.db2.gz FJMNTGQGRWSJHG-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCCC1CCC1 ZINC001071645252 1354824231 /nfs/dbraw/zinc/82/42/31/1354824231.db2.gz IFXINJYZFZOCGQ-IEBWSBKVSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071645579 1354824242 /nfs/dbraw/zinc/82/42/42/1354824242.db2.gz KZTRZXAPKOVNHA-FUHWJXTLSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071819240 1354959247 /nfs/dbraw/zinc/95/92/47/1354959247.db2.gz STWMTKMHVOKKMD-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821593 1354960961 /nfs/dbraw/zinc/96/09/61/1354960961.db2.gz QNELPZWCOKWHPX-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096042 1355127795 /nfs/dbraw/zinc/12/77/95/1355127795.db2.gz SELLBVVRYKVODB-VQIMIIECSA-N 2 0 331.504 3.131 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096039 1355127811 /nfs/dbraw/zinc/12/78/11/1355127811.db2.gz SELLBVVRYKVODB-APWZRJJASA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072098657 1355128021 /nfs/dbraw/zinc/12/80/21/1355128021.db2.gz DLHIITXRSHRQRT-MJGOQNOKSA-N 2 0 343.515 3.297 20 0 EGADRP C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001072309251 1355231843 /nfs/dbraw/zinc/23/18/43/1355231843.db2.gz GBLFLHZVJFEXPP-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)C3)C1 ZINC001072907379 1355491261 /nfs/dbraw/zinc/49/12/61/1355491261.db2.gz GZFFVFFWWQPTQA-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCCC2)C1 ZINC001074064767 1356062335 /nfs/dbraw/zinc/06/23/35/1356062335.db2.gz MNMVKWVJHUWXMS-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001074685986 1356224580 /nfs/dbraw/zinc/22/45/80/1356224580.db2.gz DQIYWXNINTVRGS-UHOSZYNNSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H]1C)[NH+](C)C ZINC001074711094 1356227646 /nfs/dbraw/zinc/22/76/46/1356227646.db2.gz QONHFWIIZTWJNY-FFZOFVMBSA-N 2 0 345.531 3.229 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001074877911 1356276853 /nfs/dbraw/zinc/27/68/53/1356276853.db2.gz RRVSTXREXKLADI-AOIWGVFYSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001080998959 1357776943 /nfs/dbraw/zinc/77/69/43/1357776943.db2.gz VORWVRQXMLNRGT-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082783241 1358092341 /nfs/dbraw/zinc/09/23/41/1358092341.db2.gz JZHMEUHZSPMCSS-QRQLOZEOSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001082943791 1358106947 /nfs/dbraw/zinc/10/69/47/1358106947.db2.gz DXPJXHIGFCHYEV-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CCC(C)(C)C)C[C@H]32)C1 ZINC001084599283 1358253117 /nfs/dbraw/zinc/25/31/17/1358253117.db2.gz XNQOINPAKXGKBF-CEXWTWQISA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101351 1358391570 /nfs/dbraw/zinc/39/15/70/1358391570.db2.gz GIOKDLUJOPGCOJ-AABGKKOBSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085196654 1358431503 /nfs/dbraw/zinc/43/15/03/1358431503.db2.gz JDDDQEQXRFOSRT-AQNXPRMDSA-N 2 0 343.515 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085217768 1358436387 /nfs/dbraw/zinc/43/63/87/1358436387.db2.gz PNHPJFROKYAXDH-AQNXPRMDSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085225220 1358437646 /nfs/dbraw/zinc/43/76/46/1358437646.db2.gz NHUCBIJOQIMVEP-IPMKNSEASA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085244887 1358443300 /nfs/dbraw/zinc/44/33/00/1358443300.db2.gz CGRCNDNAKJSQMQ-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)C1 ZINC001085333131 1358470058 /nfs/dbraw/zinc/47/00/58/1358470058.db2.gz AUXSXNSTTBOGJS-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)(C)C2)CC1 ZINC001085374310 1358481268 /nfs/dbraw/zinc/48/12/68/1358481268.db2.gz JLHPEYRNUGNMAM-RTBURBONSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCCC2)CC[N@@H+]1C ZINC001085603924 1358626765 /nfs/dbraw/zinc/62/67/65/1358626765.db2.gz RMISOGFTFWLMSJ-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085629313 1358647056 /nfs/dbraw/zinc/64/70/56/1358647056.db2.gz QYEFCWCCXTUDPW-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001323356548 1387349888 /nfs/dbraw/zinc/34/98/88/1387349888.db2.gz KDSUKFHNMUMLSV-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085687561 1358687309 /nfs/dbraw/zinc/68/73/09/1358687309.db2.gz QQDHTKYBNAJXIH-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798884 1358775058 /nfs/dbraw/zinc/77/50/58/1358775058.db2.gz CUSPZTQQSAJOLM-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875574 1358839543 /nfs/dbraw/zinc/83/95/43/1358839543.db2.gz FFIFJLANHRBCOC-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CC2)o1 ZINC001085994856 1358950681 /nfs/dbraw/zinc/95/06/81/1358950681.db2.gz WVDALRAUQKXHKI-KRWDZBQOSA-N 2 0 347.503 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086454257 1359101540 /nfs/dbraw/zinc/10/15/40/1359101540.db2.gz ZBQJHJSZDBOFJS-BHIYHBOVSA-N 2 0 349.563 3.029 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086530769 1359134127 /nfs/dbraw/zinc/13/41/27/1359134127.db2.gz QJGHIKDBGMCRBR-PWKSQPCKSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784815 1359201237 /nfs/dbraw/zinc/20/12/37/1359201237.db2.gz VJACXMAIJBMBPX-SCTDSRPQSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926939 1359252034 /nfs/dbraw/zinc/25/20/34/1359252034.db2.gz ODKRQXFTLZDUHQ-SFHVURJKSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086946507 1359267761 /nfs/dbraw/zinc/26/77/61/1359267761.db2.gz BBLXFBNWFGAMLD-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087208158 1359321715 /nfs/dbraw/zinc/32/17/15/1359321715.db2.gz PULQBTJJIISSMF-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001087232074 1359327339 /nfs/dbraw/zinc/32/73/39/1359327339.db2.gz BUWJXZXWZSMXKO-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001087569781 1359535996 /nfs/dbraw/zinc/53/59/96/1359535996.db2.gz MYKHHLRNVNHGNY-XUVXKRRUSA-N 2 0 343.515 3.029 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC001087572429 1359537262 /nfs/dbraw/zinc/53/72/62/1359537262.db2.gz QBBDYRVPOYZLFA-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCC1=CCCCC1 ZINC001087578295 1359539086 /nfs/dbraw/zinc/53/90/86/1359539086.db2.gz MLWPYZPIACLFFC-RSPOEFSDSA-N 2 0 347.547 3.186 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1CC ZINC001087593817 1359547809 /nfs/dbraw/zinc/54/78/09/1359547809.db2.gz XFCYMPXAIJMULT-ZCNNSNEGSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699426 1359598969 /nfs/dbraw/zinc/59/89/69/1359598969.db2.gz SWANJKQWIWGPOK-IPMKNSEASA-N 2 0 335.536 3.163 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCC1CCCCC1 ZINC001087726767 1359614133 /nfs/dbraw/zinc/61/41/33/1359614133.db2.gz RNCZUQDTFZISSK-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840542 1359674265 /nfs/dbraw/zinc/67/42/65/1359674265.db2.gz BWVBATHRCXDVAQ-IPMKNSEASA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCC(C)(C)C ZINC001087840945 1359675212 /nfs/dbraw/zinc/67/52/12/1359675212.db2.gz VYGNITPCZXIFHD-RCCFBDPRSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1)[NH+](C)C ZINC001088376333 1359858605 /nfs/dbraw/zinc/85/86/05/1359858605.db2.gz DMLUAPRVEKNJQB-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088381605 1359865222 /nfs/dbraw/zinc/86/52/22/1359865222.db2.gz IUAHFFCIYFSNOT-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001088407656 1359879127 /nfs/dbraw/zinc/87/91/27/1359879127.db2.gz APKXTGWJHFYASG-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001088426510 1359895054 /nfs/dbraw/zinc/89/50/54/1359895054.db2.gz WVNPAHSXNHYAFT-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001088812102 1360060817 /nfs/dbraw/zinc/06/08/17/1360060817.db2.gz MFZGPRJNTIXSFZ-UXPWSPDFSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812226 1360060881 /nfs/dbraw/zinc/06/08/81/1360060881.db2.gz SAHIXIJKOMCZFU-NZSAHSFTSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCC1CCCCCC1 ZINC001088980395 1360123142 /nfs/dbraw/zinc/12/31/42/1360123142.db2.gz GVSHBCUVMPRCFB-HOJAQTOUSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001089061116 1360152379 /nfs/dbraw/zinc/15/23/79/1360152379.db2.gz YIEJXYOGXZKQIX-HOJAQTOUSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089058971 1360152810 /nfs/dbraw/zinc/15/28/10/1360152810.db2.gz SRJHAJZUGGYJMZ-UZLBHIALSA-N 2 0 345.531 3.377 20 0 EGADRP C[N@H+](C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001089257664 1360287656 /nfs/dbraw/zinc/28/76/56/1360287656.db2.gz RXXFZPLZZAZXNS-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)CC1 ZINC001089526340 1360490531 /nfs/dbraw/zinc/49/05/31/1360490531.db2.gz ATOTVDPMACUULX-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616427 1360536680 /nfs/dbraw/zinc/53/66/80/1360536680.db2.gz GVAPRMBVMMPNJT-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638417 1360551890 /nfs/dbraw/zinc/55/18/90/1360551890.db2.gz BQYWOXBECFICDQ-ROUUACIJSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656567 1360568692 /nfs/dbraw/zinc/56/86/92/1360568692.db2.gz JZNOATZSDYDMCC-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001089685501 1360591306 /nfs/dbraw/zinc/59/13/06/1360591306.db2.gz DFLPBKBFJXVDOR-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723158 1360626483 /nfs/dbraw/zinc/62/64/83/1360626483.db2.gz HJYDCRSEPCIKJO-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)CCCCC1 ZINC001184559107 1387492658 /nfs/dbraw/zinc/49/26/58/1387492658.db2.gz HPXPCCOSFYMWKO-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091721277 1361191759 /nfs/dbraw/zinc/19/17/59/1361191759.db2.gz YSNVUWXDCWXIGH-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184655222 1387505451 /nfs/dbraw/zinc/50/54/51/1387505451.db2.gz YIGLKBIQLGVHFF-RBUKOAKNSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001184694831 1387512038 /nfs/dbraw/zinc/51/20/38/1387512038.db2.gz ZQUBGBVOWCRZJW-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001324262495 1387573992 /nfs/dbraw/zinc/57/39/92/1387573992.db2.gz GEERSVOLJUBYSN-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079942 1362835425 /nfs/dbraw/zinc/83/54/25/1362835425.db2.gz QHRVGVXFKQHNFJ-NBYUQASBSA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705558 1363105812 /nfs/dbraw/zinc/10/58/12/1363105812.db2.gz QTPRIEUISHZEDQ-YSTOQKLRSA-N 2 0 347.547 3.305 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120500 1387622916 /nfs/dbraw/zinc/62/29/16/1387622916.db2.gz RDAYWQNMMMVDHW-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCC(C)C)C3)C1 ZINC001098990805 1363560053 /nfs/dbraw/zinc/56/00/53/1363560053.db2.gz GESGDIODXKJBCF-DYXWJJEUSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996147 1363562459 /nfs/dbraw/zinc/56/24/59/1363562459.db2.gz AEHWNXZIEMBGEP-WBKMXMRLSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079186 1363610878 /nfs/dbraw/zinc/61/08/78/1363610878.db2.gz AWAKMPRUZYYCDY-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001099106600 1363624827 /nfs/dbraw/zinc/62/48/27/1363624827.db2.gz JWSGMKHZNWVBCY-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115652 1363632272 /nfs/dbraw/zinc/63/22/72/1363632272.db2.gz IZQKSFWPOYCHAT-OALUTQOASA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116475 1363633000 /nfs/dbraw/zinc/63/30/00/1363633000.db2.gz RHZVOZIMLRLSMB-ROUUACIJSA-N 2 0 337.552 3.146 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153567 1363659190 /nfs/dbraw/zinc/65/91/90/1363659190.db2.gz MVXGLVYXHIGJMZ-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215256 1363696540 /nfs/dbraw/zinc/69/65/40/1363696540.db2.gz RBGBIHVZCJSWRR-CNZFZVQHSA-N 2 0 337.552 3.291 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1=CCCCC1 ZINC001099215511 1363696549 /nfs/dbraw/zinc/69/65/49/1363696549.db2.gz WIECGVDJABNEEE-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099235148 1363706528 /nfs/dbraw/zinc/70/65/28/1363706528.db2.gz PPLWIJWMCMDWGK-QZTJIDSGSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC001099239412 1363708206 /nfs/dbraw/zinc/70/82/06/1363708206.db2.gz DFNBKMDHNNZMQQ-OALUTQOASA-N 2 0 345.531 3.134 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099275453 1363726725 /nfs/dbraw/zinc/72/67/25/1363726725.db2.gz DWGFXOLJXQROFI-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099316269 1363746589 /nfs/dbraw/zinc/74/65/89/1363746589.db2.gz PRBOOZPEOYEGNA-CNZFZVQHSA-N 2 0 337.552 3.291 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1)[NH+](C)C ZINC001099497286 1363821185 /nfs/dbraw/zinc/82/11/85/1363821185.db2.gz VDCUDBWULOUQAC-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001100383299 1364097431 /nfs/dbraw/zinc/09/74/31/1364097431.db2.gz UREKSUOSIMWAAQ-RFEKHPBVSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001185248441 1387659724 /nfs/dbraw/zinc/65/97/24/1387659724.db2.gz FTXLGNDKEVSCPP-LJQANCHMSA-N 2 0 345.531 3.016 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100602211 1364184543 /nfs/dbraw/zinc/18/45/43/1364184543.db2.gz YNKFLDRWHCDKTG-QLOJAFMTSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100602210 1364184640 /nfs/dbraw/zinc/18/46/40/1364184640.db2.gz YNKFLDRWHCDKTG-AFMYVXGZSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)[NH+](CC)CC ZINC001100668671 1364211057 /nfs/dbraw/zinc/21/10/57/1364211057.db2.gz DTNIHFYRNFCEMI-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001100669315 1364211305 /nfs/dbraw/zinc/21/13/05/1364211305.db2.gz SXVDKKBMQGEXFM-CTWPCTMYSA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729331 1364238168 /nfs/dbraw/zinc/23/81/68/1364238168.db2.gz AWLOVXGLCVDMMP-KFYHWWINSA-N 2 0 349.563 3.480 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100731793 1364239471 /nfs/dbraw/zinc/23/94/71/1364239471.db2.gz GJRLRIOLJULFPO-IVMQYODDSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)C(C)C ZINC001100765809 1364251663 /nfs/dbraw/zinc/25/16/63/1364251663.db2.gz BXPCNLUQRYWBBF-MHJFOBGBSA-N 2 0 345.531 3.037 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100848368 1364289847 /nfs/dbraw/zinc/28/98/47/1364289847.db2.gz JDAAWTGRFVYFCG-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848264 1364289859 /nfs/dbraw/zinc/28/98/59/1364289859.db2.gz FCRQEAUAVUTBFA-CTWPCTMYSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001100872833 1364305470 /nfs/dbraw/zinc/30/54/70/1364305470.db2.gz LIGIIRCEEGTGJA-VIQWUECVSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033515 1364382697 /nfs/dbraw/zinc/38/26/97/1364382697.db2.gz YRJIUNBRPVRSQZ-VIQWUECVSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001101037354 1364383719 /nfs/dbraw/zinc/38/37/19/1364383719.db2.gz JQXUYCWVERRLKL-MHJFOBGBSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272605 1364494145 /nfs/dbraw/zinc/49/41/45/1364494145.db2.gz UDPAJDLTVKJOIU-YOZGGUIQSA-N 2 0 349.563 3.099 20 0 EGADRP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001101522056 1364597069 /nfs/dbraw/zinc/59/70/69/1364597069.db2.gz LCLWOCKHPGDRKO-LIXSYLKWSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541801 1364607600 /nfs/dbraw/zinc/60/76/00/1364607600.db2.gz WBPRYKVWYZWNED-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101547453 1364611618 /nfs/dbraw/zinc/61/16/18/1364611618.db2.gz BJBWQQZVBWMQLL-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001101582295 1364634986 /nfs/dbraw/zinc/63/49/86/1364634986.db2.gz JGYAABZLKFLUKO-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001101595774 1364646224 /nfs/dbraw/zinc/64/62/24/1364646224.db2.gz RWZQGHPVKGBNHC-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648872 1387717354 /nfs/dbraw/zinc/71/73/54/1387717354.db2.gz XEKMZXQRJFZJMF-PXNSSMCTSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185448655 1387719438 /nfs/dbraw/zinc/71/94/38/1387719438.db2.gz ZBBVMPUGSUZYBQ-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174478 1365421025 /nfs/dbraw/zinc/42/10/25/1365421025.db2.gz OVPHJUOKGVSZEY-VAMGGRTRSA-N 2 0 349.563 3.147 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(CC)CC)[C@@H](C)C1 ZINC001185547458 1387744816 /nfs/dbraw/zinc/74/48/16/1387744816.db2.gz HKJSKLXJXIDIQZ-PKOBYXMFSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435916 1365558970 /nfs/dbraw/zinc/55/89/70/1365558970.db2.gz DIPBPQIFAJVALX-PFRNKHFKSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550577 1365629626 /nfs/dbraw/zinc/62/96/26/1365629626.db2.gz XMTSADTUFZTMME-PSUNPMBVSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722215 1365749222 /nfs/dbraw/zinc/74/92/22/1365749222.db2.gz BESNATVXRHGCCY-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185487 1365941428 /nfs/dbraw/zinc/94/14/28/1365941428.db2.gz FSFJDGNREIAVDK-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001104452995 1366034293 /nfs/dbraw/zinc/03/42/93/1366034293.db2.gz ZNJZQMXHKZQGHR-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104676630 1366127196 /nfs/dbraw/zinc/12/71/96/1366127196.db2.gz RXDMXPFBSSCQCD-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752570 1366157656 /nfs/dbraw/zinc/15/76/56/1366157656.db2.gz HAVBCIAVHILHQJ-HSALFYBXSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809772 1366183695 /nfs/dbraw/zinc/18/36/95/1366183695.db2.gz QSLPTMQEWIAWDD-BGGMYYEUSA-N 2 0 337.552 3.149 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001185764342 1387793308 /nfs/dbraw/zinc/79/33/08/1387793308.db2.gz YHEHGKJHVIRBCV-JCMVTEASSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001185778344 1387797486 /nfs/dbraw/zinc/79/74/86/1387797486.db2.gz IDFKFXOXPBRDPU-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001185779645 1387797870 /nfs/dbraw/zinc/79/78/70/1387797870.db2.gz QFWSANOLXOLEEQ-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1)[NH+](CC)CC ZINC001105396893 1366445885 /nfs/dbraw/zinc/44/58/85/1366445885.db2.gz YLIROPUBWAZLSP-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536963 1366516667 /nfs/dbraw/zinc/51/66/67/1366516667.db2.gz LKJGLIHWKVVVBQ-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCCC2)CCC1 ZINC001105560884 1366530461 /nfs/dbraw/zinc/53/04/61/1366530461.db2.gz FHYFQIKVSYHPIL-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001105563338 1366532788 /nfs/dbraw/zinc/53/27/88/1366532788.db2.gz KGHSWUAWCPINBZ-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC=C(C)C)CCC1)[NH+](C)C ZINC001105566493 1366534732 /nfs/dbraw/zinc/53/47/32/1366534732.db2.gz ODSPOZGYBNFBAP-OALUTQOASA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106133460 1366613730 /nfs/dbraw/zinc/61/37/30/1366613730.db2.gz MGAZPYDXHHKEAF-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249405 1366633788 /nfs/dbraw/zinc/63/37/88/1366633788.db2.gz GMVQWQSOUJFWMD-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106673257 1366770268 /nfs/dbraw/zinc/77/02/68/1366770268.db2.gz TUNFULCITZFOFT-IAGOWNOFSA-N 2 0 339.568 3.085 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107033785 1366861747 /nfs/dbraw/zinc/86/17/47/1366861747.db2.gz ALCPCJRFDVOTKL-ZHALLVOQSA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107494893 1366993870 /nfs/dbraw/zinc/99/38/70/1366993870.db2.gz FDMHBBZAUYRWHD-WIYYLYMNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521175 1367016119 /nfs/dbraw/zinc/01/61/19/1367016119.db2.gz QBONDULBYFOKPQ-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]21 ZINC001189454164 1367025701 /nfs/dbraw/zinc/02/57/01/1367025701.db2.gz SBJPYOLNUBTDDO-GBESFXJTSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2)c1ccccc1 ZINC001107606591 1367068072 /nfs/dbraw/zinc/06/80/72/1367068072.db2.gz DUZYWMVAKYWZSK-SFHLNBCPSA-N 2 0 343.515 3.060 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609644 1367070536 /nfs/dbraw/zinc/07/05/36/1367070536.db2.gz ZYSXXZJKBIRMQC-SFHLNBCPSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613940 1367073308 /nfs/dbraw/zinc/07/33/08/1367073308.db2.gz GXCFNKYUVYYVCI-QWFCFKBJSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632042 1367083944 /nfs/dbraw/zinc/08/39/44/1367083944.db2.gz NJLANNDGWNZHEJ-IAOFLLFISA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001109714559 1367289939 /nfs/dbraw/zinc/28/99/39/1367289939.db2.gz OOQMGPSCDOHQDI-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190654291 1367318349 /nfs/dbraw/zinc/31/83/49/1367318349.db2.gz JKOZSUVEMKIBIT-OXUXSNCKSA-N 2 0 335.536 3.138 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001190655517 1367318912 /nfs/dbraw/zinc/31/89/12/1367318912.db2.gz POJNAUFOSIVRMZ-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001190996225 1367397312 /nfs/dbraw/zinc/39/73/12/1367397312.db2.gz BBCCYYMUFMQUPH-HKUYNNGSSA-N 2 0 345.531 3.319 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001109928417 1367408826 /nfs/dbraw/zinc/40/88/26/1367408826.db2.gz VEJQIMXVOIADAT-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001191079605 1367419425 /nfs/dbraw/zinc/41/94/25/1367419425.db2.gz BOZFQILHXHFXGU-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163701 1367436542 /nfs/dbraw/zinc/43/65/42/1367436542.db2.gz ZTLKNTWYJGEQPK-AEFFLSMTSA-N 2 0 342.487 3.163 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1 ZINC001110019112 1367461295 /nfs/dbraw/zinc/46/12/95/1367461295.db2.gz FTNSAQUDDVBBPQ-LMCOJAPRSA-N 2 0 343.515 3.201 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115178 1367507626 /nfs/dbraw/zinc/50/76/26/1367507626.db2.gz RCWROUYEGPQIII-KCYZDWFNSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551417 1367526157 /nfs/dbraw/zinc/52/61/57/1367526157.db2.gz LUGYHUMISTUWNQ-LJQANCHMSA-N 2 0 335.536 3.140 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001110158694 1367530556 /nfs/dbraw/zinc/53/05/56/1367530556.db2.gz UKQVQUPLQXIACA-CARIKJKMSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161780 1367534587 /nfs/dbraw/zinc/53/45/87/1367534587.db2.gz SRJSFJJWLMULSU-FUMNGEBKSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684106 1367560718 /nfs/dbraw/zinc/56/07/18/1367560718.db2.gz NUFGFKWLJNYEJM-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733098 1367564689 /nfs/dbraw/zinc/56/46/89/1367564689.db2.gz GEEDNHSIBZKLMS-SCTDSRPQSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001108796145 1367601257 /nfs/dbraw/zinc/60/12/57/1367601257.db2.gz DUOSCPCKMOYMBP-OTWHNJEPSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001108830523 1367624055 /nfs/dbraw/zinc/62/40/55/1367624055.db2.gz OTOGTUWFIVJAGQ-SXLOBPIMSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001191967459 1367652052 /nfs/dbraw/zinc/65/20/52/1367652052.db2.gz IHOSSNHTEWMHJB-BZSNNMDCSA-N 2 0 337.552 3.076 20 0 EGADRP C[NH+](CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407291 1367775207 /nfs/dbraw/zinc/77/52/07/1367775207.db2.gz TZZBWFBWIFBLMX-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110626835 1367875157 /nfs/dbraw/zinc/87/51/57/1367875157.db2.gz SYGHRURLDVZEKJ-YRXWBPOGSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1O ZINC001192850322 1367887336 /nfs/dbraw/zinc/88/73/36/1367887336.db2.gz WCDLQIJGEMUWPL-GHTZIAJQSA-N 2 0 330.516 3.034 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001192906113 1367901512 /nfs/dbraw/zinc/90/15/12/1367901512.db2.gz ILTCYBRAQDNATK-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C(C)C ZINC001192916669 1367903721 /nfs/dbraw/zinc/90/37/21/1367903721.db2.gz BLGPQEBYDJTTSI-PMACEKPBSA-N 2 0 345.531 3.086 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916598 1367904277 /nfs/dbraw/zinc/90/42/77/1367904277.db2.gz ABDFNGFUKHMQNE-CLUNNQHJSA-N 2 0 337.552 3.242 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)CCCC(C)(C)C)C2)CC1 ZINC001193026551 1367926509 /nfs/dbraw/zinc/92/65/09/1367926509.db2.gz LASQYVYVNHSINJ-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)CCCC3CCCC3)C2)CC1 ZINC001193025829 1367927001 /nfs/dbraw/zinc/92/70/01/1367927001.db2.gz GVGLCXHVQNFEEW-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754446 1367961735 /nfs/dbraw/zinc/96/17/35/1367961735.db2.gz NDYPZJDLQQAAOW-ZRNYENFQSA-N 2 0 349.563 3.265 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206260 1367965446 /nfs/dbraw/zinc/96/54/46/1367965446.db2.gz YWIKAKKBMMSEFW-AQWUKCDYSA-N 2 0 349.563 3.386 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383080 1368016403 /nfs/dbraw/zinc/01/64/03/1368016403.db2.gz PJWRLDNEQOMCSH-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423864 1368025944 /nfs/dbraw/zinc/02/59/44/1368025944.db2.gz HDUVBRNMBWSPRU-PMACEKPBSA-N 2 0 343.515 3.178 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193612171 1368074633 /nfs/dbraw/zinc/07/46/33/1368074633.db2.gz ZZUNMRPXUQSVHZ-QUCCMNQESA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193631509 1368079488 /nfs/dbraw/zinc/07/94/88/1368079488.db2.gz YEXASHIAYICCQR-FQEVSTJZSA-N 2 0 345.531 3.185 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001110962200 1368126754 /nfs/dbraw/zinc/12/67/54/1368126754.db2.gz NMRXJYKNVVCCNV-NBYUQASBSA-N 2 0 343.515 3.119 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081533 1368179136 /nfs/dbraw/zinc/17/91/36/1368179136.db2.gz RDPDYOWLIQWCLU-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273988 1368221384 /nfs/dbraw/zinc/22/13/84/1368221384.db2.gz CQGFNLAMDYKFGE-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429608 1368259561 /nfs/dbraw/zinc/25/95/61/1368259561.db2.gz KIGTWGRRTWYAGS-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111306060 1368261709 /nfs/dbraw/zinc/26/17/09/1368261709.db2.gz ZHGICIXTNHYHIG-JMKDSLFWSA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1C ZINC001111309053 1368262987 /nfs/dbraw/zinc/26/29/87/1368262987.db2.gz JCBGDALEOFTXOZ-CUDHKJQZSA-N 2 0 343.515 3.119 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467508 1368312349 /nfs/dbraw/zinc/31/23/49/1368312349.db2.gz LTTFFBVZTYAXOH-YSTOQKLRSA-N 2 0 349.563 3.265 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)C1 ZINC001325321009 1387933894 /nfs/dbraw/zinc/93/38/94/1387933894.db2.gz SAFFURPFICVAFD-TZIWHRDSSA-N 2 0 343.515 3.005 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740776 1368437383 /nfs/dbraw/zinc/43/73/83/1368437383.db2.gz NNCQICLFPSTHQE-NNXSCSCUSA-N 2 0 347.547 3.186 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753290 1368443958 /nfs/dbraw/zinc/44/39/58/1368443958.db2.gz QSAJMFDOTSDJGJ-JWDLVDIFSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789051 1368462346 /nfs/dbraw/zinc/46/23/46/1368462346.db2.gz VHCIAQPRMJPXQZ-ZIKMKABXSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001195900645 1368513133 /nfs/dbraw/zinc/51/31/33/1368513133.db2.gz OJQGCRDAXWULMS-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001196275900 1368582628 /nfs/dbraw/zinc/58/26/28/1368582628.db2.gz OSAAZSWLSKTVQI-OALUTQOASA-N 2 0 335.536 3.118 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641701 1368654755 /nfs/dbraw/zinc/65/47/55/1368654755.db2.gz MGOGRPCUKWHURS-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655567 1368656510 /nfs/dbraw/zinc/65/65/10/1368656510.db2.gz HCGGIZSYBBFCQR-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP CC[NH+](CC)CCCNC(=S)Nc1c[nH+]ccc1N1CCCCC1 ZINC001196660567 1368657041 /nfs/dbraw/zinc/65/70/41/1368657041.db2.gz RELNNQXIRNDCBN-UHFFFAOYSA-N 2 0 349.548 3.090 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[N@H+](CC3CC(C)(C)C3)CC2)CCCC1 ZINC001196656981 1368657543 /nfs/dbraw/zinc/65/75/43/1368657543.db2.gz XPMLHWYVDDNOBS-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396699 1368822340 /nfs/dbraw/zinc/82/23/40/1368822340.db2.gz AEQLZVQSGAKVSQ-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](CCC2CCCCCC2)CC1 ZINC001197707251 1368877428 /nfs/dbraw/zinc/87/74/28/1368877428.db2.gz NSFVXPWSELCWCT-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001112496280 1368892505 /nfs/dbraw/zinc/89/25/05/1368892505.db2.gz OXZDARRZFINMJJ-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1)[NH+](CC)CC ZINC001112528481 1368915055 /nfs/dbraw/zinc/91/50/55/1368915055.db2.gz DQDPWTLHGVGWMH-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885337 1368919523 /nfs/dbraw/zinc/91/95/23/1368919523.db2.gz CGQZVATUDBOFAF-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001197885441 1368919834 /nfs/dbraw/zinc/91/98/34/1368919834.db2.gz HEJHLPRMOHTCFU-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325437823 1387972096 /nfs/dbraw/zinc/97/20/96/1387972096.db2.gz LYDMRNFCFFTOGF-SJLPKXTDSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001186605733 1387984839 /nfs/dbraw/zinc/98/48/39/1387984839.db2.gz SMWVFEPUOMBFLR-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C\CC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156404 1369233208 /nfs/dbraw/zinc/23/32/08/1369233208.db2.gz CWNSVZABXWZUMQ-PLNGDYQASA-N 2 0 335.536 3.142 20 0 EGADRP CCOc1cccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001199865105 1369282500 /nfs/dbraw/zinc/28/25/00/1369282500.db2.gz OZQAYYMLCGWZGY-LJQANCHMSA-N 2 0 339.483 3.482 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001200893537 1369444984 /nfs/dbraw/zinc/44/49/84/1369444984.db2.gz DUYDCQVHRGNIBB-GHOSXJJBSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001200894063 1369445173 /nfs/dbraw/zinc/44/51/73/1369445173.db2.gz KSUMICMUULEHCK-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201043793 1369470845 /nfs/dbraw/zinc/47/08/45/1369470845.db2.gz JMHTWWYHKFCLQX-IBGZPJMESA-N 2 0 337.552 3.410 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053433 1369472852 /nfs/dbraw/zinc/47/28/52/1369472852.db2.gz OYJURCVIXMYXLH-XQQSMPNESA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001201378028 1369530903 /nfs/dbraw/zinc/53/09/03/1369530903.db2.gz AJJNNYSGWRPRFK-UHFFFAOYSA-N 2 0 346.519 3.069 20 0 EGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC001201410044 1369538717 /nfs/dbraw/zinc/53/87/17/1369538717.db2.gz HATRPBDGZGLCAK-WOZUAGRISA-N 2 0 342.531 3.413 20 0 EGADRP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](C[C@@H]1CC=CCC1)CC2 ZINC001201417314 1369541458 /nfs/dbraw/zinc/54/14/58/1369541458.db2.gz RYHHXIANAAQAKH-GOSISDBHSA-N 2 0 328.504 3.083 20 0 EGADRP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@@H](C)CCC=C(C)C)CC2 ZINC001201486177 1369555315 /nfs/dbraw/zinc/55/53/15/1369555315.db2.gz NASMPAPKRLKBHK-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CC1CCC(C[NH+]2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC001113723277 1369586971 /nfs/dbraw/zinc/58/69/71/1369586971.db2.gz NYFPQOKXPMYFRY-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cnc4cccc(F)c4c3)cc[nH+]2)CC1 ZINC001201656882 1369597681 /nfs/dbraw/zinc/59/76/81/1369597681.db2.gz BXHPPPRNPLKMQV-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP CC(C)Oc1cccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201665219 1369600552 /nfs/dbraw/zinc/60/05/52/1369600552.db2.gz BNTJXVJOCYBQTJ-UHFFFAOYSA-N 2 0 326.444 3.364 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc2scnc21 ZINC001201667722 1369601460 /nfs/dbraw/zinc/60/14/60/1369601460.db2.gz GOMNJKHAUSHZNO-UHFFFAOYSA-N 2 0 339.468 3.495 20 0 EGADRP COc1cc(C)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C)c1 ZINC001201667597 1369601606 /nfs/dbraw/zinc/60/16/06/1369601606.db2.gz VPXQHHBZSQFAPA-UHFFFAOYSA-N 2 0 326.444 3.202 20 0 EGADRP C[NH+]1CCN(c2cc(-n3ccc4cc(Cl)cc(N)c43)cc[nH+]2)CC1 ZINC001201671407 1369602345 /nfs/dbraw/zinc/60/23/45/1369602345.db2.gz BTODMSKENCIMLV-UHFFFAOYSA-N 2 0 341.846 3.013 20 0 EGADRP CSc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(F)c1 ZINC001201673595 1369603783 /nfs/dbraw/zinc/60/37/83/1369603783.db2.gz YAEVAPZVPJRIRL-UHFFFAOYSA-N 2 0 332.448 3.438 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC001201706694 1369609210 /nfs/dbraw/zinc/60/92/10/1369609210.db2.gz PPMIJDYFVITMBY-INIZCTEOSA-N 2 0 337.533 3.246 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001201935443 1369645798 /nfs/dbraw/zinc/64/57/98/1369645798.db2.gz LTMHPYRNVHOXDS-SREVYHEPSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21 ZINC001202073188 1369680925 /nfs/dbraw/zinc/68/09/25/1369680925.db2.gz KFEYMMZBUSHMBD-QYZOEREBSA-N 2 0 332.536 3.493 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156977 1369703368 /nfs/dbraw/zinc/70/33/68/1369703368.db2.gz RHWWWCNOXHSNQL-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001202178691 1369708287 /nfs/dbraw/zinc/70/82/87/1369708287.db2.gz MTMFALHGKHOYJU-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001202940887 1369932777 /nfs/dbraw/zinc/93/27/77/1369932777.db2.gz UEWLGYRNFHOAAZ-AATRIKPKSA-N 2 0 343.515 3.299 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001202974242 1369942884 /nfs/dbraw/zinc/94/28/84/1369942884.db2.gz SVOCSMZOUWERFC-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001325743075 1388038954 /nfs/dbraw/zinc/03/89/54/1388038954.db2.gz JFIZOXDFIWQTHE-OXQOHEQNSA-N 2 0 335.451 3.432 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203029796 1369960402 /nfs/dbraw/zinc/96/04/02/1369960402.db2.gz VIKOFKCFGQJAOR-XXCOWLKOSA-N 2 0 347.547 3.234 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001203124880 1369990689 /nfs/dbraw/zinc/99/06/89/1369990689.db2.gz ZEFDIMHHBOEHBP-SFTDATJTSA-N 2 0 336.483 3.129 20 0 EGADRP OCc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001203192863 1370018901 /nfs/dbraw/zinc/01/89/01/1370018901.db2.gz NGHKJWKBYJDVIX-UHFFFAOYSA-N 2 0 336.479 3.277 20 0 EGADRP CC[C@@H](F)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313845 1370078174 /nfs/dbraw/zinc/07/81/74/1370078174.db2.gz UJLLYGPHWICQLS-MJGOQNOKSA-N 2 0 349.494 3.008 20 0 EGADRP CCc1ccc(C[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001203407057 1370114875 /nfs/dbraw/zinc/11/48/75/1370114875.db2.gz BZFWYVDGLUGZDW-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420934 1370118867 /nfs/dbraw/zinc/11/88/67/1370118867.db2.gz XZOLUBJKAUDUKH-WIJVFFIESA-N 2 0 347.547 3.092 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001203443284 1370128612 /nfs/dbraw/zinc/12/86/12/1370128612.db2.gz RJDYAYUPOLINHA-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(C)C)C12CCC2 ZINC001203506313 1370148368 /nfs/dbraw/zinc/14/83/68/1370148368.db2.gz IPSRJVGPUZLCRT-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203507791 1370149021 /nfs/dbraw/zinc/14/90/21/1370149021.db2.gz VKDHDQWHCREJII-RTBURBONSA-N 2 0 343.515 3.179 20 0 EGADRP COc1ccc2c(Nc3ccc(N4CC[NH+](C)CC4)cn3)cc[nH+]c2c1 ZINC001203520382 1370152367 /nfs/dbraw/zinc/15/23/67/1370152367.db2.gz RNIJWUWHNQJAAG-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP COc1ccc2c(Nc3cc[nH+]c(N4CCOCC4)c3)cc[nH+]c2c1 ZINC001203523654 1370154194 /nfs/dbraw/zinc/15/41/94/1370154194.db2.gz UAECZXSWLBGCEY-UHFFFAOYSA-N 2 0 336.395 3.219 20 0 EGADRP COc1ccc2c(Nc3cnn(C4CC[NH+](C)CC4)c3)cc[nH+]c2c1 ZINC001203523005 1370154303 /nfs/dbraw/zinc/15/43/03/1370154303.db2.gz PJYJSWBOSOXQSA-UHFFFAOYSA-N 2 0 337.427 3.450 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577001 1370176485 /nfs/dbraw/zinc/17/64/85/1370176485.db2.gz MNLKDJRPKFEYHF-HNGSOEQISA-N 2 0 335.536 3.092 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203577007 1370176573 /nfs/dbraw/zinc/17/65/73/1370176573.db2.gz MNVZKHUNIWCJIH-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001114984236 1370191123 /nfs/dbraw/zinc/19/11/23/1370191123.db2.gz AVLUCOVTKQEDEL-MXQFDGHBSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203624817 1370191735 /nfs/dbraw/zinc/19/17/35/1370191735.db2.gz SPWWZVULCXZTRX-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203631407 1370193874 /nfs/dbraw/zinc/19/38/74/1370193874.db2.gz NMFITSWHGCBNEB-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@]1(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC[NH2+]C1 ZINC001325856194 1388056390 /nfs/dbraw/zinc/05/63/90/1388056390.db2.gz SDUXDTWPTXHICJ-OAQYLSRUSA-N 2 0 343.515 3.289 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203652692 1370203041 /nfs/dbraw/zinc/20/30/41/1370203041.db2.gz WPPHHLDQTJEFIV-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2 ZINC001203770907 1370258010 /nfs/dbraw/zinc/25/80/10/1370258010.db2.gz JVNHVFJSXPVZHC-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203791185 1370266208 /nfs/dbraw/zinc/26/62/08/1370266208.db2.gz DUWBOGYQQUBHTK-RBUKOAKNSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203791548 1370266581 /nfs/dbraw/zinc/26/65/81/1370266581.db2.gz JRUMMWPBGOQNEW-RBUKOAKNSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203823115 1370278977 /nfs/dbraw/zinc/27/89/77/1370278977.db2.gz GTNGFYDAOJORSQ-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853736 1370289736 /nfs/dbraw/zinc/28/97/36/1370289736.db2.gz XNODKWXJYPGWER-QCUYKYDPSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001203869288 1370294437 /nfs/dbraw/zinc/29/44/37/1370294437.db2.gz CWWWVPGTQMXRJT-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001203902688 1370307913 /nfs/dbraw/zinc/30/79/13/1370307913.db2.gz HSLRIGJSVSIIIL-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203903776 1370308031 /nfs/dbraw/zinc/30/80/31/1370308031.db2.gz NMLROSBGPTVQMB-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904373 1370308514 /nfs/dbraw/zinc/30/85/14/1370308514.db2.gz UFONVKDGUMGQMM-KKHYBRAUSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CCOCC1 ZINC001204272770 1370428363 /nfs/dbraw/zinc/42/83/63/1370428363.db2.gz RKNPOPPMENOZRR-UHFFFAOYSA-N 2 0 334.504 3.407 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCCC1 ZINC001115450647 1370459493 /nfs/dbraw/zinc/45/94/93/1370459493.db2.gz IWSZJFVGZDPOST-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC001204398513 1370467064 /nfs/dbraw/zinc/46/70/64/1370467064.db2.gz HTZZWCSSAWOTBB-UHFFFAOYSA-N 2 0 343.559 3.444 20 0 EGADRP CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001204604819 1370529055 /nfs/dbraw/zinc/52/90/55/1370529055.db2.gz YLCMXMMQGHYADM-UHFFFAOYSA-N 2 0 338.499 3.292 20 0 EGADRP CC(C)C[NH+](Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1)CC(C)C ZINC001204611494 1370529844 /nfs/dbraw/zinc/52/98/44/1370529844.db2.gz OUCPLVQECJMMJS-UHFFFAOYSA-N 2 0 343.519 3.310 20 0 EGADRP Cc1ccc(N2CC[NH+](CC3CC4(C3)CC[NH2+]CC4)CC2)cc1C ZINC001204611551 1370530187 /nfs/dbraw/zinc/53/01/87/1370530187.db2.gz RVNFQQGSVJBYKR-UHFFFAOYSA-N 2 0 327.516 3.205 20 0 EGADRP Clc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)cc1 ZINC001204622133 1370532379 /nfs/dbraw/zinc/53/23/79/1370532379.db2.gz ZWDKFGSXANSEKQ-UHFFFAOYSA-N 2 0 341.886 3.308 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536739 1370533437 /nfs/dbraw/zinc/53/34/37/1370533437.db2.gz FXJNEYGACUZTJI-QZTJIDSGSA-N 2 0 335.536 3.070 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCCC1 ZINC001115538417 1370535367 /nfs/dbraw/zinc/53/53/67/1370535367.db2.gz HQOKDEFRTXYOKB-UHFFFAOYSA-N 2 0 337.552 3.460 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)CC[N@@H+]1C ZINC001115543475 1370540626 /nfs/dbraw/zinc/54/06/26/1370540626.db2.gz KEWAZASFOVOMCC-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP Fc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1N1CCCC1 ZINC001204742500 1370561529 /nfs/dbraw/zinc/56/15/29/1370561529.db2.gz PQNAWCMLVLVFPK-UHFFFAOYSA-N 2 0 331.479 3.392 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115579495 1370582650 /nfs/dbraw/zinc/58/26/50/1370582650.db2.gz REPZZWBRNFSYDV-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582085 1370584303 /nfs/dbraw/zinc/58/43/03/1370584303.db2.gz JWHFPSHHJYWUSI-ZEVQVBBLSA-N 2 0 337.552 3.338 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001115591716 1370592455 /nfs/dbraw/zinc/59/24/55/1370592455.db2.gz AZTRXHHIRVZYOU-OALUTQOASA-N 2 0 347.547 3.212 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCCC1 ZINC001115591722 1370592793 /nfs/dbraw/zinc/59/27/93/1370592793.db2.gz BJSKVKOGXACPPB-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CCC2CC2)CCCCC1)[NH+]1CCCC1 ZINC001115661963 1370646355 /nfs/dbraw/zinc/64/63/55/1370646355.db2.gz WWZHGWHVFRHYSY-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CCc1cc(Nc2ccc(C3([NH+]4CCN(C)CC4)CC3)cc2)cc[nH+]1 ZINC001205102018 1370651319 /nfs/dbraw/zinc/65/13/19/1370651319.db2.gz DEFUUZJGMFHEHZ-UHFFFAOYSA-N 2 0 336.483 3.046 20 0 EGADRP O=C(CCc1ncc[nH]1)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205119118 1370655854 /nfs/dbraw/zinc/65/58/54/1370655854.db2.gz LBQSBZLXULHMJJ-UHFFFAOYSA-N 2 0 346.519 3.141 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001115698218 1370680083 /nfs/dbraw/zinc/68/00/83/1370680083.db2.gz VJPZOOWAMXNUQH-CEXWTWQISA-N 2 0 349.563 3.173 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001205210650 1370681956 /nfs/dbraw/zinc/68/19/56/1370681956.db2.gz QGTOKALCIGMMDM-FQEVSTJZSA-N 2 0 326.440 3.155 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205290578 1370708138 /nfs/dbraw/zinc/70/81/38/1370708138.db2.gz LGDIYDJGZCBXBZ-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CCCc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC001205296295 1370711130 /nfs/dbraw/zinc/71/11/30/1370711130.db2.gz KVYBVBYFVDFRKG-ZFWWWQNUSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@@H]1CC[N@H+](CCCc2ccccc2Br)C[C@@H]1C[NH3+] ZINC001205296377 1370711232 /nfs/dbraw/zinc/71/12/32/1370711232.db2.gz NUUPXMZAVYXHIM-HIFRSBDPSA-N 2 0 325.294 3.298 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729459 1370711246 /nfs/dbraw/zinc/71/12/46/1370711246.db2.gz GSHDGXFTYKEOQA-PYTPGESOSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730233 1370713078 /nfs/dbraw/zinc/71/30/78/1370713078.db2.gz GNNLJKYXNJPXET-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205317719 1370719692 /nfs/dbraw/zinc/71/96/92/1370719692.db2.gz PPYUFQJOFHTQEP-RHSMWYFYSA-N 2 0 329.488 3.329 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115760280 1370744281 /nfs/dbraw/zinc/74/42/81/1370744281.db2.gz KPDLLDSAWIJDSB-QGZVFWFLSA-N 2 0 341.515 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001187307163 1388091772 /nfs/dbraw/zinc/09/17/72/1388091772.db2.gz XHRAXNNTJACCCQ-RTBURBONSA-N 2 0 345.531 3.287 20 0 EGADRP [NH3+][C@@H](CCc1nc([C@@H]2C[NH+]3CCC2CC3)no1)CC1CCCCC1 ZINC001325933876 1388091898 /nfs/dbraw/zinc/09/18/98/1388091898.db2.gz NXPYDGVPDRQAJF-DLBZAZTESA-N 2 0 332.492 3.109 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)CCC1 ZINC001205457760 1370761556 /nfs/dbraw/zinc/76/15/56/1370761556.db2.gz OKURKKXMOCURQC-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461853 1370762461 /nfs/dbraw/zinc/76/24/61/1370762461.db2.gz PWHKJYXLQMJIOO-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464286 1370763325 /nfs/dbraw/zinc/76/33/25/1370763325.db2.gz NANIOQDDZCLGMD-PRPIBZDOSA-N 2 0 349.563 3.149 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205483403 1370768809 /nfs/dbraw/zinc/76/88/09/1370768809.db2.gz BXFOOWOPWJRUED-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC001205548719 1370787665 /nfs/dbraw/zinc/78/76/65/1370787665.db2.gz JLGIBTTZMOPEFO-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2C)CCCCC1 ZINC001115806229 1370790106 /nfs/dbraw/zinc/79/01/06/1370790106.db2.gz SBJTYLBNVMZWBH-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205560105 1370790876 /nfs/dbraw/zinc/79/08/76/1370790876.db2.gz ZZIIWQKRLKYPAB-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571631 1370795289 /nfs/dbraw/zinc/79/52/89/1370795289.db2.gz WKNFOLDKEYDXSU-MRXNPFEDSA-N 2 0 330.831 3.010 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205570756 1370795358 /nfs/dbraw/zinc/79/53/58/1370795358.db2.gz ODEFJMRPYMPMQI-AWEZNQCLSA-N 2 0 338.320 3.377 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001205578609 1370798656 /nfs/dbraw/zinc/79/86/56/1370798656.db2.gz GVCSIOVOKPMBEO-QGZVFWFLSA-N 2 0 336.842 3.179 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001205592572 1370803335 /nfs/dbraw/zinc/80/33/35/1370803335.db2.gz WOJHBKBUODXSAU-FQEVSTJZSA-N 2 0 343.446 3.314 20 0 EGADRP Fc1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1C[NH+]1CCCC1 ZINC001205599673 1370805558 /nfs/dbraw/zinc/80/55/58/1370805558.db2.gz CDWCLJQCPIAPEV-UHFFFAOYSA-N 2 0 339.458 3.498 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205615806 1370811577 /nfs/dbraw/zinc/81/15/77/1370811577.db2.gz BEWRIPVXNSTIQC-AAEUAGOBSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205626914 1370816559 /nfs/dbraw/zinc/81/65/59/1370816559.db2.gz KPQRIIUSFGONHD-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)no2)CC[C@@H]1C[NH3+] ZINC001205635479 1370820872 /nfs/dbraw/zinc/82/08/72/1370820872.db2.gz AZAFSQYGQXEZOG-NVXWUHKLSA-N 2 0 329.444 3.060 20 0 EGADRP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)c1 ZINC001205637810 1370821454 /nfs/dbraw/zinc/82/14/54/1370821454.db2.gz IXGLKSNPZVHBFE-ZFWWWQNUSA-N 2 0 338.879 3.324 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC[C@@H]1C[NH3+] ZINC001205638730 1370822722 /nfs/dbraw/zinc/82/27/22/1370822722.db2.gz RJIOKMYAZANBQL-QWHCGFSZSA-N 2 0 334.414 3.162 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC[C@H]1C[NH3+] ZINC001205652305 1370828253 /nfs/dbraw/zinc/82/82/53/1370828253.db2.gz PEEVLJJWVKNCJL-STQMWFEESA-N 2 0 333.863 3.401 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205652035 1370828594 /nfs/dbraw/zinc/82/85/94/1370828594.db2.gz NQCWNZRNGRYTPP-ZIAGYGMSSA-N 2 0 338.879 3.324 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)s2)cc1 ZINC001205682306 1370841093 /nfs/dbraw/zinc/84/10/93/1370841093.db2.gz RSMUUYGAYOKBQD-LJQANCHMSA-N 2 0 346.496 3.099 20 0 EGADRP Cc1ccc(Oc2cccc(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)c2)cc1 ZINC001205689704 1370843081 /nfs/dbraw/zinc/84/30/81/1370843081.db2.gz QQLFQJYHMUBYLD-NRFANRHFSA-N 2 0 340.467 3.463 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001205734692 1370854509 /nfs/dbraw/zinc/85/45/09/1370854509.db2.gz GWESZDPVSYJOJG-FQEVSTJZSA-N 2 0 346.421 3.308 20 0 EGADRP COc1ccc(-c2ccncc2)c(CN2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205795167 1370873448 /nfs/dbraw/zinc/87/34/48/1370873448.db2.gz CZZNORHYQBUTBZ-MRXNPFEDSA-N 2 0 347.409 3.173 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC001116393139 1370901849 /nfs/dbraw/zinc/90/18/49/1370901849.db2.gz AIUNGZZUSPSEEE-HNNXBMFYSA-N 2 0 344.890 3.338 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205985313 1370930057 /nfs/dbraw/zinc/93/00/57/1370930057.db2.gz XBAXOVPOHCJRSH-QFBILLFUSA-N 2 0 332.488 3.103 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003832 1370935269 /nfs/dbraw/zinc/93/52/69/1370935269.db2.gz MXXPKMMYPRSATM-HUUCEWRRSA-N 2 0 343.471 3.151 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(Cl)ncc2Br)CCC[C@H]1C[NH3+] ZINC001206003616 1370935358 /nfs/dbraw/zinc/93/53/58/1370935358.db2.gz KGSZMVVMHSIFOO-QWRGUYRKSA-N 2 0 346.700 3.304 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206004397 1370935627 /nfs/dbraw/zinc/93/56/27/1370935627.db2.gz SAQFUASXUZSNSE-YPMHNXCESA-N 2 0 329.257 3.395 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206005913 1370936462 /nfs/dbraw/zinc/93/64/62/1370936462.db2.gz DUDFNDJDKGEIBJ-RRFGBZISSA-N 2 0 349.563 3.293 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC)cc1Cl ZINC001206013550 1370938636 /nfs/dbraw/zinc/93/86/36/1370938636.db2.gz SBPNWOGFEUZNSX-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001206026287 1370942331 /nfs/dbraw/zinc/94/23/31/1370942331.db2.gz RHVWLWOMNXTATO-CVEARBPZSA-N 2 0 331.504 3.478 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206175982 1370981217 /nfs/dbraw/zinc/98/12/17/1370981217.db2.gz HEIPPKZQSKJTCZ-OLHLWXQYSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001206304555 1371016732 /nfs/dbraw/zinc/01/67/32/1371016732.db2.gz MLZCYAJKQCIIDF-LJQANCHMSA-N 2 0 326.444 3.220 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2N)CC1 ZINC001206311795 1371017759 /nfs/dbraw/zinc/01/77/59/1371017759.db2.gz VHGOHPUMRKJNNT-OAHLLOKOSA-N 2 0 331.382 3.118 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(Br)ccc(O)c2F)CC1 ZINC001206326866 1371023450 /nfs/dbraw/zinc/02/34/50/1371023450.db2.gz PXKHVHIOFFVTQC-HNNXBMFYSA-N 2 0 345.256 3.245 20 0 EGADRP O=C(C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc2ccccc2c1 ZINC001118198125 1371144426 /nfs/dbraw/zinc/14/44/26/1371144426.db2.gz HTFJIUIUDXCKID-UHFFFAOYSA-N 2 0 337.467 3.244 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC[NH2+]C1 ZINC001118216340 1371148031 /nfs/dbraw/zinc/14/80/31/1371148031.db2.gz GHYWTOJRKMDTDS-UZLBHIALSA-N 2 0 329.488 3.247 20 0 EGADRP COc1ccc(F)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001206749821 1371153236 /nfs/dbraw/zinc/15/32/36/1371153236.db2.gz OPGMMUJSKQXEJT-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP Cc1ccc(-c2noc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001118264189 1371154186 /nfs/dbraw/zinc/15/41/86/1371154186.db2.gz WOUCNTFETCYWST-UHFFFAOYSA-N 2 0 326.444 3.011 20 0 EGADRP COc1cc(F)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1F ZINC001206755598 1371154531 /nfs/dbraw/zinc/15/45/31/1371154531.db2.gz NSHSCFHLMOQXON-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCc1ccc(Br)cc1 ZINC001206761277 1371155906 /nfs/dbraw/zinc/15/59/06/1371155906.db2.gz VXDLEMBQNOUFGO-HIFRSBDPSA-N 2 0 325.294 3.441 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001206794719 1371169563 /nfs/dbraw/zinc/16/95/63/1371169563.db2.gz QPNGQHNPXPLJPI-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797120 1371170720 /nfs/dbraw/zinc/17/07/20/1371170720.db2.gz UPXRNXIYRRMICD-PMACEKPBSA-N 2 0 338.499 3.073 20 0 EGADRP Cc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001206852388 1371189257 /nfs/dbraw/zinc/18/92/57/1371189257.db2.gz NVNSYESPQWWWFP-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206882974 1371205525 /nfs/dbraw/zinc/20/55/25/1371205525.db2.gz LLWHQILQQXNAQQ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206885462 1371207217 /nfs/dbraw/zinc/20/72/17/1371207217.db2.gz NTKWKSRJLGFLSR-GOSISDBHSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001206929198 1371229860 /nfs/dbraw/zinc/22/98/60/1371229860.db2.gz YTENCSVZTOKHNB-RBUKOAKNSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206973752 1371253614 /nfs/dbraw/zinc/25/36/14/1371253614.db2.gz UUBUZQGTBODEJJ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974976 1371255254 /nfs/dbraw/zinc/25/52/54/1371255254.db2.gz YTRYWPMGQVYWPY-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP Fc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001207038650 1371274946 /nfs/dbraw/zinc/27/49/46/1371274946.db2.gz JJUQFUNZUMCVNH-UHFFFAOYSA-N 2 0 329.419 3.302 20 0 EGADRP C[C@@]1(CO)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286088 1371350199 /nfs/dbraw/zinc/35/01/99/1371350199.db2.gz DWCGJPKNBPMIFB-OAQYLSRUSA-N 2 0 330.516 3.383 20 0 EGADRP CCOC(=O)C1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207289533 1371352565 /nfs/dbraw/zinc/35/25/65/1371352565.db2.gz QQSQBCSYEWSFDK-UHFFFAOYSA-N 2 0 344.499 3.174 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001207289018 1371353109 /nfs/dbraw/zinc/35/31/09/1371353109.db2.gz YLPJXPZZGXIDHO-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP CC[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC001119633052 1371380254 /nfs/dbraw/zinc/38/02/54/1371380254.db2.gz GBGKHPAHLJGPCX-RAFMOHDBSA-N 2 0 343.515 3.029 20 0 EGADRP COC(=O)c1ccc(CC2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001207403437 1371385927 /nfs/dbraw/zinc/38/59/27/1371385927.db2.gz VBVMOSQRYOWBDR-UHFFFAOYSA-N 2 0 344.499 3.070 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001120005426 1371451989 /nfs/dbraw/zinc/45/19/89/1371451989.db2.gz QDYCFKWIBATTKL-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001120028187 1371460815 /nfs/dbraw/zinc/46/08/15/1371460815.db2.gz XHOSEJCGNKQCOK-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC1 ZINC001207683678 1371473913 /nfs/dbraw/zinc/47/39/13/1371473913.db2.gz TXXPGXOOMQEIRR-KRWDZBQOSA-N 2 0 333.520 3.479 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207682418 1371474076 /nfs/dbraw/zinc/47/40/76/1371474076.db2.gz MBPMJLSFSIKNPI-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(F)c2)C[C@H]1C ZINC001207750482 1371493134 /nfs/dbraw/zinc/49/31/34/1371493134.db2.gz RXKJRTKTDNTGAG-IIDMSEBBSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@@H](F)CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120189674 1371503258 /nfs/dbraw/zinc/50/32/58/1371503258.db2.gz NQXLBGVSSLXXJX-QGZVFWFLSA-N 2 0 341.515 3.019 20 0 EGADRP C[C@@H](C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1)c1ccccc1 ZINC001207906286 1371534899 /nfs/dbraw/zinc/53/48/99/1371534899.db2.gz MUHUHTZKLSDPCJ-SFHVURJKSA-N 2 0 338.499 3.141 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)C1 ZINC001207912962 1371536474 /nfs/dbraw/zinc/53/64/74/1371536474.db2.gz AAKXGHZIJXCIDV-MJGOQNOKSA-N 2 0 344.499 3.140 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120365615 1371550190 /nfs/dbraw/zinc/55/01/90/1371550190.db2.gz UKWLQRUBVHQPHK-ROUUACIJSA-N 2 0 346.519 3.236 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001120414093 1371565799 /nfs/dbraw/zinc/56/57/99/1371565799.db2.gz SGZAQTBHCZZNFY-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120449729 1371581855 /nfs/dbraw/zinc/58/18/55/1371581855.db2.gz PKHLJRKBHIHARL-VQTJNVASSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001208105701 1371597072 /nfs/dbraw/zinc/59/70/72/1371597072.db2.gz AWGOXIWRDHWOFY-LJQANCHMSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208111071 1371597895 /nfs/dbraw/zinc/59/78/95/1371597895.db2.gz BBGVZLLPYKFYDV-JOCHJYFZSA-N 3 0 341.543 3.316 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001208110726 1371597995 /nfs/dbraw/zinc/59/79/95/1371597995.db2.gz FSDWURNUMHRACE-MOPGFXCFSA-N 2 0 344.499 3.345 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001208111991 1371598963 /nfs/dbraw/zinc/59/89/63/1371598963.db2.gz QFNVBIQOYJDRSY-OAQYLSRUSA-N 2 0 342.483 3.060 20 0 EGADRP C[NH+](C)CCN1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001208132862 1371605696 /nfs/dbraw/zinc/60/56/96/1371605696.db2.gz WPNLLYKOCGQAOM-UHFFFAOYSA-N 2 0 349.522 3.345 20 0 EGADRP CS[C@H](C)CC[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001208145339 1371608934 /nfs/dbraw/zinc/60/89/34/1371608934.db2.gz UWEBQKZPTKBRNT-KFWWJZLASA-N 2 0 325.547 3.181 20 0 EGADRP C[NH+](C)CC1(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC001208185833 1371625606 /nfs/dbraw/zinc/62/56/06/1371625606.db2.gz IVTCNELBVRKMAH-OYRHEFFESA-N 2 0 341.543 3.172 20 0 EGADRP CC/C=C\CCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001208190614 1371630560 /nfs/dbraw/zinc/63/05/60/1371630560.db2.gz LEQWUOUCEJMMED-WAYWQWQTSA-N 2 0 346.519 3.037 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208236655 1371673769 /nfs/dbraw/zinc/67/37/69/1371673769.db2.gz YYQDRLCRKHERFQ-QGZVFWFLSA-N 2 0 341.540 3.297 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001208453350 1371771471 /nfs/dbraw/zinc/77/14/71/1371771471.db2.gz FJXLTAAKAUBLTE-PMTSLALWSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208454586 1371772758 /nfs/dbraw/zinc/77/27/58/1371772758.db2.gz YOYXLOXFVORFQX-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208497968 1371787867 /nfs/dbraw/zinc/78/78/67/1371787867.db2.gz KSZLNGLKOWDQDT-KRWDZBQOSA-N 2 0 328.460 3.109 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208575784 1371824662 /nfs/dbraw/zinc/82/46/62/1371824662.db2.gz VEPQUXBKFZQZOV-XKAJCMQQSA-N 2 0 337.552 3.290 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592934 1371832635 /nfs/dbraw/zinc/83/26/35/1371832635.db2.gz ZLJPSEHADYRBPZ-BHIFYINESA-N 2 0 341.543 3.315 20 0 EGADRP CC[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCN1C(=O)OC(C)(C)C ZINC001208597539 1371834798 /nfs/dbraw/zinc/83/47/98/1371834798.db2.gz IZYQKKRHLIVSMW-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(c3ccc(C(=O)OC)cc3)CC2)CC1 ZINC001208598769 1371835345 /nfs/dbraw/zinc/83/53/45/1371835345.db2.gz XNOBKZUVGKDEJA-UHFFFAOYSA-N 2 0 344.499 3.385 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@@H]2c2ccccc2)CC1 ZINC001208602845 1371836154 /nfs/dbraw/zinc/83/61/54/1371836154.db2.gz OYZGDMCCOXJTHL-WOJBJXKFSA-N 2 0 344.499 3.345 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001208603035 1371837380 /nfs/dbraw/zinc/83/73/80/1371837380.db2.gz SKGRABGXGQFLGY-UHFFFAOYSA-N 2 0 341.543 3.316 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)C1 ZINC001208605592 1371838302 /nfs/dbraw/zinc/83/83/02/1371838302.db2.gz CEIATXWFBLXJME-BHIFYINESA-N 2 0 342.527 3.440 20 0 EGADRP C[NH+]1CCC(N(Cc2ccc(F)cc2)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208615662 1371841590 /nfs/dbraw/zinc/84/15/90/1371841590.db2.gz WOKURDWMNQSCMZ-GOSISDBHSA-N 2 0 333.495 3.064 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C)[NH+](C)C ZINC001208699836 1371867028 /nfs/dbraw/zinc/86/70/28/1371867028.db2.gz VWICKYUATUTQTE-AHRSYUTCSA-N 2 0 345.531 3.087 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208750082 1371883307 /nfs/dbraw/zinc/88/33/07/1371883307.db2.gz YFAKSRQKXXKBSO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121194206 1371885398 /nfs/dbraw/zinc/88/53/98/1371885398.db2.gz OSIACALRUQZOQH-HXLZZXBHSA-N 2 0 347.547 3.234 20 0 EGADRP c1ccc(C2(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)CCCC2)cc1 ZINC001208778409 1371894020 /nfs/dbraw/zinc/89/40/20/1371894020.db2.gz UHABTCUADAHDIX-UHFFFAOYSA-N 2 0 341.543 3.212 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121237788 1371903977 /nfs/dbraw/zinc/90/39/77/1371903977.db2.gz GDXMETYFGCGXFA-FUSSNKQKSA-N 2 0 349.563 3.170 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121267112 1371915552 /nfs/dbraw/zinc/91/55/52/1371915552.db2.gz DLEPXVBRLJQKGD-WZXTXQKWSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)CC(C)C)C2)[NH+](C)C ZINC001121302294 1371929641 /nfs/dbraw/zinc/92/96/41/1371929641.db2.gz WNQVUEWWTPDONS-YYIRHMBSSA-N 2 0 337.552 3.026 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001121341139 1371943481 /nfs/dbraw/zinc/94/34/81/1371943481.db2.gz SRLCMCCXYLKATK-UHFFFAOYSA-N 2 0 349.563 3.457 20 0 EGADRP O[C@]1(CF)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208930403 1371949539 /nfs/dbraw/zinc/94/95/39/1371949539.db2.gz AXYBNWGPMXCUDB-VQTJNVASSA-N 2 0 334.479 3.085 20 0 EGADRP C[NH+]1CCC(COc2cccc(F)c2NC2=CC[N@H+](C)CC2)CC1 ZINC001208930249 1371949792 /nfs/dbraw/zinc/94/97/92/1371949792.db2.gz KSGABLBFZNUIKB-UHFFFAOYSA-N 2 0 333.451 3.178 20 0 EGADRP CC(C)(C)[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208936327 1371951905 /nfs/dbraw/zinc/95/19/05/1371951905.db2.gz OHDHEGAJTJFWBR-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP CCCC[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938439 1371954489 /nfs/dbraw/zinc/95/44/89/1371954489.db2.gz ZIEHYSNIPWHECJ-NRFANRHFSA-N 2 0 329.532 3.316 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208936624 1371955081 /nfs/dbraw/zinc/95/50/81/1371955081.db2.gz ONMFALZQWKOTIY-FGZHOGPDSA-N 2 0 341.543 3.459 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC001208940318 1371955338 /nfs/dbraw/zinc/95/53/38/1371955338.db2.gz RJKRZJXGRPPTIL-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP C[N@H+](C1CC1)[C@@H]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208942903 1371957053 /nfs/dbraw/zinc/95/70/53/1371957053.db2.gz JXMWGCLBYVHEIJ-PZJWPPBQSA-N 2 0 327.516 3.067 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC001208948769 1371961329 /nfs/dbraw/zinc/96/13/29/1371961329.db2.gz IECAFTNRTREZMX-QFIPXVFZSA-N 2 0 341.543 3.316 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001209323255 1372068679 /nfs/dbraw/zinc/06/86/79/1372068679.db2.gz GKUOEJUXNFNJME-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2)[NH+](C)C ZINC001121797980 1372084360 /nfs/dbraw/zinc/08/43/60/1372084360.db2.gz CEZRXAXILFHMRJ-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP COC(C)(C)CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001209402020 1372093461 /nfs/dbraw/zinc/09/34/61/1372093461.db2.gz ASVAYBIDFPEGSI-UHFFFAOYSA-N 2 0 346.515 3.169 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001326404135 1388178900 /nfs/dbraw/zinc/17/89/00/1388178900.db2.gz PBVKHBJMTDDTKV-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001121859346 1372105020 /nfs/dbraw/zinc/10/50/20/1372105020.db2.gz DLDHEIFYBMKATO-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121859358 1372105693 /nfs/dbraw/zinc/10/56/93/1372105693.db2.gz DMJABPMOMBTVQU-RBUNFDSBSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001209455521 1372111354 /nfs/dbraw/zinc/11/13/54/1372111354.db2.gz URNQNOCDSRMYCJ-YLJYHZDGSA-N 2 0 345.531 3.403 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC001121935293 1372126903 /nfs/dbraw/zinc/12/69/03/1372126903.db2.gz LKBAXWRDXVVMIM-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001209660127 1372164361 /nfs/dbraw/zinc/16/43/61/1372164361.db2.gz MFMVXIWUCZMSFY-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c[nH]c2cc(F)ccc12 ZINC001209692877 1372171374 /nfs/dbraw/zinc/17/13/74/1372171374.db2.gz ZOSFCQPAXJTFJO-UHFFFAOYSA-N 2 0 334.483 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2 ZINC001122101575 1372174456 /nfs/dbraw/zinc/17/44/56/1372174456.db2.gz POASAIJNBRAOQE-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP Nc1ccncc1C[N@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001209730239 1372178069 /nfs/dbraw/zinc/17/80/69/1372178069.db2.gz IIENIVQTDJQMHS-IRFCIJBXSA-N 2 0 335.451 3.191 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001122197545 1372199000 /nfs/dbraw/zinc/19/90/00/1372199000.db2.gz MOYLZOUJXFDQMS-GGQJKKPXSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231826 1372207482 /nfs/dbraw/zinc/20/74/82/1372207482.db2.gz ZMDUJACLNCYLBF-ZHYCDHBMSA-N 2 0 349.563 3.312 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122243060 1372210288 /nfs/dbraw/zinc/21/02/88/1372210288.db2.gz YZGDTRPJYXBDNC-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952347 1372240298 /nfs/dbraw/zinc/24/02/98/1372240298.db2.gz PRJNBVMBGNICHZ-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP Fc1cc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cnc2cc1F ZINC001210263242 1372308488 /nfs/dbraw/zinc/30/84/88/1372308488.db2.gz VMPFAJIYGOSLLM-UHFFFAOYSA-N 2 0 341.365 3.061 20 0 EGADRP Clc1cnc2c(cccc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210267253 1372310206 /nfs/dbraw/zinc/31/02/06/1372310206.db2.gz YEWIRDIFEVYZKG-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP Clc1ccnc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc12 ZINC001210270397 1372311609 /nfs/dbraw/zinc/31/16/09/1372311609.db2.gz AWXWOPZRJLLKEE-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210283634 1372314446 /nfs/dbraw/zinc/31/44/46/1372314446.db2.gz QCKCOUTWWCJWEX-UEKDZROGSA-N 2 0 335.536 3.045 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001187921344 1388190207 /nfs/dbraw/zinc/19/02/07/1388190207.db2.gz HMTUUKLGSZHMCJ-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001210497806 1372367531 /nfs/dbraw/zinc/36/75/31/1372367531.db2.gz JFFOFSGEDPGNSZ-JTDSTZFVSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210528855 1372372305 /nfs/dbraw/zinc/37/23/05/1372372305.db2.gz JXRKNEGHFVFJOM-WSTZPKSXSA-N 2 0 345.531 3.143 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001210635058 1372396849 /nfs/dbraw/zinc/39/68/49/1372396849.db2.gz WRAGTTFTGQFVNB-MSOLQXFVSA-N 2 0 343.531 3.217 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001210642030 1372398060 /nfs/dbraw/zinc/39/80/60/1372398060.db2.gz ADIAVHZTOYLKHB-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)sc2C1 ZINC001326463632 1388200421 /nfs/dbraw/zinc/20/04/21/1388200421.db2.gz FRKYRSZBWZZKSE-YALNPMBYSA-N 2 0 349.544 3.129 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001187971471 1388202022 /nfs/dbraw/zinc/20/20/22/1388202022.db2.gz LZRFYYJHEUOVDU-INDMIFKZSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240586 1372509531 /nfs/dbraw/zinc/50/95/31/1372509531.db2.gz NHQZOOHLCDAPAM-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001211241379 1372509811 /nfs/dbraw/zinc/50/98/11/1372509811.db2.gz TXMHFDFILZGQFH-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211242062 1372510879 /nfs/dbraw/zinc/51/08/79/1372510879.db2.gz YVEZHIWDZFALCT-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001211257935 1372514459 /nfs/dbraw/zinc/51/44/59/1372514459.db2.gz XLCDCFVCRDKZBY-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211261871 1372514766 /nfs/dbraw/zinc/51/47/66/1372514766.db2.gz FHHMEVOVCYIKSH-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309688 1372526004 /nfs/dbraw/zinc/52/60/04/1372526004.db2.gz KUMWPGRMAHSJAN-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP Clc1cc(Cl)cc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)c1 ZINC001212320495 1372686253 /nfs/dbraw/zinc/68/62/53/1372686253.db2.gz LKFBYWRQDAZGFE-UHFFFAOYSA-N 2 0 341.242 3.133 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214635113 1373093384 /nfs/dbraw/zinc/09/33/84/1373093384.db2.gz ZOOLZTHMAFVKMK-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)c(C)c1 ZINC001127317108 1373114545 /nfs/dbraw/zinc/11/45/45/1373114545.db2.gz JSWDHHIDYJTIPH-UHFFFAOYSA-N 2 0 345.531 3.082 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001127327001 1373115795 /nfs/dbraw/zinc/11/57/95/1373115795.db2.gz DBWARSOSGYXRNN-QGZVFWFLSA-N 2 0 331.504 3.026 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001214889546 1373136554 /nfs/dbraw/zinc/13/65/54/1373136554.db2.gz MHZZHKXLEPEUQT-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC001127701475 1373164520 /nfs/dbraw/zinc/16/45/20/1373164520.db2.gz PUSQWQDRDDUPGR-FFZOFVMBSA-N 2 0 345.531 3.307 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567671 1373213409 /nfs/dbraw/zinc/21/34/09/1373213409.db2.gz DBQKKHYJSWHAKD-RCCFBDPRSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215778734 1373237231 /nfs/dbraw/zinc/23/72/31/1373237231.db2.gz ZLGWCFZNNGXXFB-QRVBRYPASA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001216174303 1373275055 /nfs/dbraw/zinc/27/50/55/1373275055.db2.gz PQUVUSGKQBPMHL-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1F ZINC001216222478 1373284455 /nfs/dbraw/zinc/28/44/55/1373284455.db2.gz FUMFJHAEEXFRGK-UHFFFAOYSA-N 2 0 342.462 3.349 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001216490793 1373311588 /nfs/dbraw/zinc/31/15/88/1373311588.db2.gz PDBHLCMAUNFWGM-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844443 1373349923 /nfs/dbraw/zinc/34/99/23/1373349923.db2.gz BYFICKGLSRARTA-JMKDSLFWSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001129418951 1373381562 /nfs/dbraw/zinc/38/15/62/1373381562.db2.gz YVTOHVXHPZPYKC-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1ncccc1-c1noc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)n1 ZINC001217044105 1373382170 /nfs/dbraw/zinc/38/21/70/1373382170.db2.gz FSDAWAJYNFYCJK-UHFFFAOYSA-N 2 0 349.438 3.030 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001129947302 1373438696 /nfs/dbraw/zinc/43/86/96/1373438696.db2.gz SXRPZMOAPOPALV-LPHOPBHVSA-N 2 0 333.520 3.163 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190409 1373471937 /nfs/dbraw/zinc/47/19/37/1373471937.db2.gz YRDCJTUATIQWAD-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)C[C@@H](C[NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217730450 1373496648 /nfs/dbraw/zinc/49/66/48/1373496648.db2.gz NMMJNOVMKNXMKE-IRXDYDNUSA-N 2 0 328.460 3.148 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4C[NH2+]CCC[C@@H]4F)cc32)CC1 ZINC001217982721 1373525874 /nfs/dbraw/zinc/52/58/74/1373525874.db2.gz WJDIFQCNINILJF-ICSRJNTNSA-N 2 0 345.462 3.446 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001130713688 1373584084 /nfs/dbraw/zinc/58/40/84/1373584084.db2.gz XQLVKOMGZITCGG-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@H]3CC[NH2+]C[C@H]3c3ccccc3)cc2)CCC1 ZINC001218972361 1373672753 /nfs/dbraw/zinc/67/27/53/1373672753.db2.gz LSJSFXWOKYINPU-PMACEKPBSA-N 2 0 349.478 3.356 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC001221373765 1373771089 /nfs/dbraw/zinc/77/10/89/1373771089.db2.gz MUXTZBVUKLOJIN-GOSISDBHSA-N 2 0 347.547 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001221560793 1373782097 /nfs/dbraw/zinc/78/20/97/1373782097.db2.gz IEXYLHGVQVBQMT-FCGDIQPGSA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001221962616 1373809152 /nfs/dbraw/zinc/80/91/52/1373809152.db2.gz MSNQHEAHYNAIOK-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001131799291 1373810645 /nfs/dbraw/zinc/81/06/45/1373810645.db2.gz LVXJNWHWPPYKIK-LJQANCHMSA-N 2 0 345.531 3.356 20 0 EGADRP Cn1c2ccccc2c2cc(C[NH+]3CCC4(CC3)C[NH2+]CCO4)ccc21 ZINC001222208469 1373821194 /nfs/dbraw/zinc/82/11/94/1373821194.db2.gz MDXYBUCAAAJYLS-UHFFFAOYSA-N 2 0 349.478 3.286 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC001131821473 1373821646 /nfs/dbraw/zinc/82/16/46/1373821646.db2.gz AFPFOMPIQAKFBP-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCCC3CCC3)[C@H]2C1 ZINC001223972189 1375050581 /nfs/dbraw/zinc/05/05/81/1375050581.db2.gz URESTGAUKOHGON-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739214 1375072774 /nfs/dbraw/zinc/07/27/74/1375072774.db2.gz KJVAEQGYWOVBTP-VZSQWMKGSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H](C(=O)NCC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001224738990 1375072855 /nfs/dbraw/zinc/07/28/55/1375072855.db2.gz HJYCATCNFOFMRK-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC001225143020 1375095005 /nfs/dbraw/zinc/09/50/05/1375095005.db2.gz RPHQOCKWFCLROW-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](CCCC2CCC2)CC1 ZINC001225244097 1375099485 /nfs/dbraw/zinc/09/94/85/1375099485.db2.gz GXZKLNLKUSUTIF-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188673249 1388358254 /nfs/dbraw/zinc/35/82/54/1388358254.db2.gz GQNLEVURFQNTDX-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc2c[nH+]cn21 ZINC001326961761 1388358814 /nfs/dbraw/zinc/35/88/14/1388358814.db2.gz IGAZNVWDJIDLJN-KRWDZBQOSA-N 2 0 340.471 3.170 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132106452 1375151711 /nfs/dbraw/zinc/15/17/11/1375151711.db2.gz UOQYTPYXMOOLQW-IEBWSBKVSA-N 2 0 347.547 3.330 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132149131 1375170912 /nfs/dbraw/zinc/17/09/12/1375170912.db2.gz GHYZQLGXRZNMAH-CQQBRXBZSA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152970 1375173260 /nfs/dbraw/zinc/17/32/60/1375173260.db2.gz LSIQLIGIKMPCSJ-IRXDYDNUSA-N 2 0 325.541 3.266 20 0 EGADRP Oc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1Br ZINC001327002994 1388363197 /nfs/dbraw/zinc/36/31/97/1388363197.db2.gz BARLWWKTDGCFHB-UHFFFAOYSA-N 2 0 339.277 3.120 20 0 EGADRP Cn1c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC001327003085 1388363448 /nfs/dbraw/zinc/36/34/48/1388363448.db2.gz CVAYJXRGHITQRE-UHFFFAOYSA-N 2 0 332.879 3.192 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1C ZINC001132269192 1375257565 /nfs/dbraw/zinc/25/75/65/1375257565.db2.gz GPZKDCCQCLWEFY-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001132273842 1375259698 /nfs/dbraw/zinc/25/96/98/1375259698.db2.gz KVCRBWMZSBBRLM-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CC1CCCC1 ZINC001132311844 1375289884 /nfs/dbraw/zinc/28/98/84/1375289884.db2.gz YZXGMRXMQZKEEK-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340273 1375320257 /nfs/dbraw/zinc/32/02/57/1375320257.db2.gz PLEJRQRZOGMZFE-DDRDIHNTSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001226775610 1375331314 /nfs/dbraw/zinc/33/13/14/1375331314.db2.gz UCTJCYFZMZBTMC-QRVBRYPASA-N 2 0 335.536 3.211 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001226889841 1375353106 /nfs/dbraw/zinc/35/31/06/1375353106.db2.gz CWXAFJRPYKAYDD-XUVXKRRUSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226891861 1375353625 /nfs/dbraw/zinc/35/36/25/1375353625.db2.gz VNCVDFKZQVHBIF-GUDVDZBRSA-N 2 0 337.552 3.458 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132410943 1375360569 /nfs/dbraw/zinc/36/05/69/1375360569.db2.gz QAZBOSKRLHPFHV-QQXWZLKESA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1cccc(F)c1 ZINC001132434482 1375378510 /nfs/dbraw/zinc/37/85/10/1375378510.db2.gz XJJJJRMPMNSVGP-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132435018 1375379679 /nfs/dbraw/zinc/37/96/79/1375379679.db2.gz AHKNKECNPQXTHH-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCC2)C1 ZINC001132437044 1375381152 /nfs/dbraw/zinc/38/11/52/1375381152.db2.gz PMDSXTFEOQGZOK-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227149988 1375397470 /nfs/dbraw/zinc/39/74/70/1375397470.db2.gz JBXNUIYUKIGPJF-AQRBRUGDSA-N 2 0 337.552 3.480 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001227150413 1375397764 /nfs/dbraw/zinc/39/77/64/1375397764.db2.gz QLRGXESHKWARPC-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC001227158361 1375400342 /nfs/dbraw/zinc/40/03/42/1375400342.db2.gz GPMCUVGFPWCKAB-QZTJIDSGSA-N 2 0 349.494 3.073 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132518668 1375436891 /nfs/dbraw/zinc/43/68/91/1375436891.db2.gz MNZQNUDABBYEPG-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525902 1375441649 /nfs/dbraw/zinc/44/16/49/1375441649.db2.gz WPYRVWMJQGAESY-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227750513 1375471048 /nfs/dbraw/zinc/47/10/48/1375471048.db2.gz IXJZVWSKJQBAHA-GVDBMIGSSA-N 2 0 341.515 3.016 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227876039 1375486147 /nfs/dbraw/zinc/48/61/47/1375486147.db2.gz DRYBWVDCEVDSKO-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227876776 1375486192 /nfs/dbraw/zinc/48/61/92/1375486192.db2.gz KOHSTBFLDTVNOO-ZMBJWTFHSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1)[NH+](C)C ZINC001227986611 1375498420 /nfs/dbraw/zinc/49/84/20/1375498420.db2.gz GXEDNTSZIVZEMZ-FXAWDEMLSA-N 2 0 345.531 3.285 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C)c1ccc(F)cc1 ZINC001228254883 1375535063 /nfs/dbraw/zinc/53/50/63/1375535063.db2.gz LFRATYPEHNTCQF-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001228569362 1375600203 /nfs/dbraw/zinc/60/02/03/1375600203.db2.gz PCHVIISAOLCEAV-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C)C1 ZINC001228603668 1375612751 /nfs/dbraw/zinc/61/27/51/1375612751.db2.gz RHIVCPBHHWFIAO-RCCFBDPRSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228617901 1375619040 /nfs/dbraw/zinc/61/90/40/1375619040.db2.gz FKNJLQVNOWPEBD-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](CC)[NH+](C)C)c1 ZINC001228647059 1375626082 /nfs/dbraw/zinc/62/60/82/1375626082.db2.gz NTGVMACLULSNJW-AQNXPRMDSA-N 2 0 345.531 3.106 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228647021 1375626443 /nfs/dbraw/zinc/62/64/43/1375626443.db2.gz NECLYYQJGIELMB-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012698 1375711383 /nfs/dbraw/zinc/71/13/83/1375711383.db2.gz UNGSBXVUKGOEAA-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133063709 1375752223 /nfs/dbraw/zinc/75/22/23/1375752223.db2.gz GHGWUGAAKJZKDG-FUHWJXTLSA-N 2 0 349.519 3.219 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1)[NH+](CC)CC ZINC001229171099 1375780212 /nfs/dbraw/zinc/78/02/12/1375780212.db2.gz IRDSUJVNAIJEOZ-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1)[NH+](CC)CC ZINC001229171098 1375780809 /nfs/dbraw/zinc/78/08/09/1375780809.db2.gz IRDSUJVNAIJEOZ-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CCCCCF)CC1)C(C)C ZINC001229655315 1375872645 /nfs/dbraw/zinc/87/26/45/1375872645.db2.gz HAAKEGSIVOBRED-GOSISDBHSA-N 2 0 343.531 3.073 20 0 EGADRP CCC(CC)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655561 1375872885 /nfs/dbraw/zinc/87/28/85/1375872885.db2.gz MZDBLZJHAKXZRM-LJQANCHMSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133274356 1375888360 /nfs/dbraw/zinc/88/83/60/1375888360.db2.gz HACIIGAHODIGTN-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001229860494 1375906725 /nfs/dbraw/zinc/90/67/25/1375906725.db2.gz UZJKZWYSHRJGRA-KBAGWLGSSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133333500 1375929082 /nfs/dbraw/zinc/92/90/82/1375929082.db2.gz ILVSCVOMXAPUIM-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H](F)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230017471 1375931393 /nfs/dbraw/zinc/93/13/93/1375931393.db2.gz WVFQODXRYLNBGW-HKUYNNGSSA-N 2 0 349.494 3.008 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)CCCC[NH+](C)C)CC2)c1 ZINC001230094270 1375942405 /nfs/dbraw/zinc/94/24/05/1375942405.db2.gz QOUMRYFFOZIHPB-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CC1(C)CC(C[NH+]2CCC(NC(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001230431534 1376029720 /nfs/dbraw/zinc/02/97/20/1376029720.db2.gz KEXQKHYQHPMOIF-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230516774 1376048164 /nfs/dbraw/zinc/04/81/64/1376048164.db2.gz UJGKJLNRNRHXLM-AUUYWEPGSA-N 2 0 336.439 3.435 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1Cl)[NH+](CC)CC ZINC001133690751 1376157897 /nfs/dbraw/zinc/15/78/97/1376157897.db2.gz VKIBCVLUWATKON-WMLDXEAASA-N 2 0 339.911 3.227 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001133845806 1376229125 /nfs/dbraw/zinc/22/91/25/1376229125.db2.gz NOARCNPKKORAML-IRXDYDNUSA-N 2 0 345.531 3.093 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)ncc1C(F)(F)F)CC2 ZINC001231935306 1376357349 /nfs/dbraw/zinc/35/73/49/1376357349.db2.gz VCZONQQULNSQRF-UHFFFAOYSA-N 2 0 333.785 3.281 20 0 EGADRP O=C1N[C@@H](c2ccccc2)C12CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232015614 1376383768 /nfs/dbraw/zinc/38/37/68/1376383768.db2.gz ZKYKMQSNNJEVLH-IBGZPJMESA-N 2 0 346.434 3.016 20 0 EGADRP CCOC[C@@H]1COCCC12CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232014506 1376384482 /nfs/dbraw/zinc/38/44/82/1376384482.db2.gz JZMYCUUQMGKPOC-QGZVFWFLSA-N 2 0 343.471 3.218 20 0 EGADRP Nc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232369921 1376451490 /nfs/dbraw/zinc/45/14/90/1376451490.db2.gz GDHCQIAMDMTASF-WOJBJXKFSA-N 2 0 336.483 3.008 20 0 EGADRP CCOC(=O)c1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(Cl)c1 ZINC001232594696 1376484766 /nfs/dbraw/zinc/48/47/66/1376484766.db2.gz YELDAYCCBWCIJQ-UHFFFAOYSA-N 2 0 336.863 3.044 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(-n3cccn3)cc1Cl)CC2 ZINC001232597175 1376487057 /nfs/dbraw/zinc/48/70/57/1376487057.db2.gz YQAGMQRDKHKPJN-UHFFFAOYSA-N 2 0 330.863 3.053 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001232604016 1376488421 /nfs/dbraw/zinc/48/84/21/1376488421.db2.gz SUKQTQMUGCSUFF-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP CC[N@H+](Cc1ccc(Br)c(C)n1)C1CCN(C)CC1 ZINC001232665259 1376495949 /nfs/dbraw/zinc/49/59/49/1376495949.db2.gz AZNSHBQRAKQNJX-UHFFFAOYSA-N 2 0 326.282 3.069 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCCCF ZINC001134369525 1376498042 /nfs/dbraw/zinc/49/80/42/1376498042.db2.gz NNBHCGYPAFJYEH-SJORKVTESA-N 2 0 343.531 3.264 20 0 EGADRP Cc1ccc(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1O ZINC001233228630 1376592975 /nfs/dbraw/zinc/59/29/75/1376592975.db2.gz FIGJNBBXCYCSFU-FQEVSTJZSA-N 2 0 332.488 3.023 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612017 1376624592 /nfs/dbraw/zinc/62/45/92/1376624592.db2.gz GKXXAHZVRGLURV-JKSUJKDBSA-N 2 0 325.541 3.170 20 0 EGADRP CCCC[NH+]1CCC(N(C)Cc2ccc(C(=O)OC)c(OC)c2)CC1 ZINC001233541269 1376666481 /nfs/dbraw/zinc/66/64/81/1376666481.db2.gz FJKLPDBBECTWPB-UHFFFAOYSA-N 2 0 348.487 3.178 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134757584 1376703746 /nfs/dbraw/zinc/70/37/46/1376703746.db2.gz QARFLHZJGUFKDG-ZWKOTPCHSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001134765987 1376710082 /nfs/dbraw/zinc/71/00/82/1376710082.db2.gz BWYFMRYHZKGVTM-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001134767311 1376710292 /nfs/dbraw/zinc/71/02/92/1376710292.db2.gz VOMAJRVNHPYVTR-RBUKOAKNSA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001134772714 1376712668 /nfs/dbraw/zinc/71/26/68/1376712668.db2.gz GYJKSHBUZQNSMW-ROUUACIJSA-N 2 0 347.547 3.407 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134774158 1376713867 /nfs/dbraw/zinc/71/38/67/1376713867.db2.gz VYMDNKLVXVKBQC-XMNQGQKYSA-N 2 0 325.541 3.336 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784067 1376719035 /nfs/dbraw/zinc/71/90/35/1376719035.db2.gz RESPDVLIENHUGY-ZWKOTPCHSA-N 2 0 348.535 3.361 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCCCCC1 ZINC001134858484 1376757317 /nfs/dbraw/zinc/75/73/17/1376757317.db2.gz UVFMXJFKGYMIOD-MSOLQXFVSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235037033 1376837688 /nfs/dbraw/zinc/83/76/88/1376837688.db2.gz BKIQUBRWOIHZOJ-FGZHOGPDSA-N 2 0 336.479 3.472 20 0 EGADRP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235039382 1376838571 /nfs/dbraw/zinc/83/85/71/1376838571.db2.gz ZKMVHXZXLBRULO-IOMROCGXSA-N 2 0 330.516 3.299 20 0 EGADRP Fc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428561 1376869882 /nfs/dbraw/zinc/86/98/82/1376869882.db2.gz QQHCDAKDWFDFCN-NWDGAFQWSA-N 2 0 330.369 3.455 20 0 EGADRP Oc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001235427793 1376870022 /nfs/dbraw/zinc/87/00/22/1376870022.db2.gz OHCZTHYYCVGOIP-OALUTQOASA-N 2 0 344.499 3.393 20 0 EGADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001235430439 1376872066 /nfs/dbraw/zinc/87/20/66/1376872066.db2.gz SYVXDTPKHYCBIK-GJZGRUSLSA-N 2 0 336.863 3.280 20 0 EGADRP c1cncc(-c2ccc3c(c2)C2(CC3)CC[NH+](CC3C[NH2+]C3)CC2)c1 ZINC001235585660 1376877185 /nfs/dbraw/zinc/87/71/85/1376877185.db2.gz ZIGVEHQFZSTQQA-UHFFFAOYSA-N 2 0 333.479 3.248 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100677 1376898366 /nfs/dbraw/zinc/89/83/66/1376898366.db2.gz FXKCKNVCYFJGDF-IAGOWNOFSA-N 2 0 345.531 3.077 20 0 EGADRP Clc1cccc([C@H]2CC[N@H+](CC[C@H]3C[NH2+]CCO3)C2)c1Cl ZINC001235885229 1376911488 /nfs/dbraw/zinc/91/14/88/1376911488.db2.gz TWYLNECEKZDKPQ-STQMWFEESA-N 2 0 329.271 3.161 20 0 EGADRP c1csc([C@H]2C[NH2+]CCN2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001236113780 1376933834 /nfs/dbraw/zinc/93/38/34/1376933834.db2.gz IUHDVKCXANUKMH-RTBURBONSA-N 2 0 341.524 3.217 20 0 EGADRP c1csc([C@H]2C[NH2+]CCN2C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001236113779 1376933862 /nfs/dbraw/zinc/93/38/62/1376933862.db2.gz IUHDVKCXANUKMH-RBUKOAKNSA-N 2 0 341.524 3.217 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181179 1376953154 /nfs/dbraw/zinc/95/31/54/1376953154.db2.gz MRRYLLPMGWXWMV-HZPDHXFCSA-N 2 0 337.552 3.170 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001135314516 1377033300 /nfs/dbraw/zinc/03/33/00/1377033300.db2.gz CAUUCWOZLSJZSN-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP Cc1ccccc1CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135317089 1377034490 /nfs/dbraw/zinc/03/44/90/1377034490.db2.gz WTANITQSISTGAJ-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP FC(F)(F)c1ccc(Cl)c(C[NH2+][C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246158713 1377050289 /nfs/dbraw/zinc/05/02/89/1377050289.db2.gz HBTHEBPGTSLZHH-NSHDSACASA-N 2 0 336.810 3.296 20 0 EGADRP COc1cccc(CC2(C[NH2+][C@@H](C)Cc3ccco3)CC[NH2+]CC2)c1 ZINC001246381356 1377051623 /nfs/dbraw/zinc/05/16/23/1377051623.db2.gz PWIWQMDIVKFTSY-KRWDZBQOSA-N 2 0 342.483 3.421 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246383144 1377051740 /nfs/dbraw/zinc/05/17/40/1377051740.db2.gz DMNQPLZZSLXKAT-PMACEKPBSA-N 3 0 347.522 3.104 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246546505 1377052189 /nfs/dbraw/zinc/05/21/89/1377052189.db2.gz GODQDLWYRZIWMM-RLLQIKCJSA-N 3 0 333.495 3.192 20 0 EGADRP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722085 1377053515 /nfs/dbraw/zinc/05/35/15/1377053515.db2.gz GXVFWTHEHVXXQF-MLYOOKFZSA-N 2 0 329.488 3.093 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246938178 1377055763 /nfs/dbraw/zinc/05/57/63/1377055763.db2.gz RQOZHPIPTSYJJB-MHTWAQMVSA-N 2 0 345.506 3.395 20 0 EGADRP C[NH2+]C[C@H]1CCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246939213 1377056085 /nfs/dbraw/zinc/05/60/85/1377056085.db2.gz QZNPZCROSXGSFG-MHTWAQMVSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CC[NH+](C)C ZINC001135371924 1377059790 /nfs/dbraw/zinc/05/97/90/1377059790.db2.gz KNQFCTQZJROTOE-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1ccc2ccccc2c1 ZINC001135376920 1377062038 /nfs/dbraw/zinc/06/20/38/1377062038.db2.gz ZSVDXDDQCOEJRK-SJORKVTESA-N 2 0 341.499 3.164 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001327276857 1388478443 /nfs/dbraw/zinc/47/84/43/1388478443.db2.gz HCBSSZKRAGFNDX-CRAIPNDOSA-N 2 0 337.483 3.007 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526680 1377106683 /nfs/dbraw/zinc/10/66/83/1377106683.db2.gz STROCVWABRHPKW-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471262 1377108892 /nfs/dbraw/zinc/10/88/92/1377108892.db2.gz JKANMSHMONMTCR-QZTJIDSGSA-N 2 0 347.547 3.467 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475466 1377110220 /nfs/dbraw/zinc/11/02/20/1377110220.db2.gz AVFXLUUOYTYYBK-IRXDYDNUSA-N 2 0 333.520 3.037 20 0 EGADRP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+]([C@H](C)CCC(C)C)CCC2 ZINC001256365774 1377111719 /nfs/dbraw/zinc/11/17/19/1377111719.db2.gz SUGYEMSUSQPZON-QGZVFWFLSA-N 2 0 348.535 3.116 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001265619631 1377155253 /nfs/dbraw/zinc/15/52/53/1377155253.db2.gz QIMAYXMYTJPSJJ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614037 1377162281 /nfs/dbraw/zinc/16/22/81/1377162281.db2.gz LIUXUXWQFFOJDE-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614570 1377162363 /nfs/dbraw/zinc/16/23/63/1377162363.db2.gz WIMRDVRKLUSUCZ-HNGSOEQISA-N 2 0 337.552 3.338 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135690178 1377184346 /nfs/dbraw/zinc/18/43/46/1377184346.db2.gz FMEDCQQUBNSJHH-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[NH+](C)C)cc1 ZINC001135717628 1377193493 /nfs/dbraw/zinc/19/34/93/1377193493.db2.gz XNTWAPGRONMKKX-PMACEKPBSA-N 2 0 345.531 3.088 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135743230 1377198937 /nfs/dbraw/zinc/19/89/37/1377198937.db2.gz HELGDBKBHACOFM-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135743533 1377198980 /nfs/dbraw/zinc/19/89/80/1377198980.db2.gz LUTRBTKAYRWQFL-HZPDHXFCSA-N 2 0 345.487 3.148 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001135823967 1377222408 /nfs/dbraw/zinc/22/24/08/1377222408.db2.gz KVTDUJKDEWJUGI-MSOLQXFVSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135829871 1377224569 /nfs/dbraw/zinc/22/45/69/1377224569.db2.gz HBHGLQAIYRUJBN-DLBZAZTESA-N 2 0 325.541 3.026 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(C)c1 ZINC001327290912 1388485986 /nfs/dbraw/zinc/48/59/86/1388485986.db2.gz JUNKIVBDAFNYON-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135860709 1377238001 /nfs/dbraw/zinc/23/80/01/1377238001.db2.gz GOERGKNEHVDNFO-SJORKVTESA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135861956 1377238729 /nfs/dbraw/zinc/23/87/29/1377238729.db2.gz ZNICTYSUGMNPRD-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001266326606 1377273784 /nfs/dbraw/zinc/27/37/84/1377273784.db2.gz FVXNMJXYQXRDCP-UZLBHIALSA-N 2 0 341.499 3.289 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135974473 1377283621 /nfs/dbraw/zinc/28/36/21/1377283621.db2.gz PTYKKYWOEDNLHE-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135979972 1377286058 /nfs/dbraw/zinc/28/60/58/1377286058.db2.gz KRDUXSRZNFPQHN-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnc2)C1 ZINC001266364507 1377296812 /nfs/dbraw/zinc/29/68/12/1377296812.db2.gz WZFBFRXQHQONSV-RTBURBONSA-N 2 0 340.471 3.005 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001266546868 1377331027 /nfs/dbraw/zinc/33/10/27/1377331027.db2.gz YLOAGFIVEUFFQL-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1ccsc1 ZINC001136215243 1377365005 /nfs/dbraw/zinc/36/50/05/1377365005.db2.gz CFQYBUBMOBUCJE-ROUUACIJSA-N 2 0 349.544 3.264 20 0 EGADRP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001136536108 1377403497 /nfs/dbraw/zinc/40/34/97/1377403497.db2.gz RHWMKNSZFQLUHY-VQTJNVASSA-N 2 0 345.531 3.230 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001266986979 1377407806 /nfs/dbraw/zinc/40/78/06/1377407806.db2.gz GSCXCITWGBBPDM-WMZOPIPTSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CCC1CCCC1 ZINC001267250500 1377431735 /nfs/dbraw/zinc/43/17/35/1377431735.db2.gz KUGUCKMWMWBFGN-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563688 1377457908 /nfs/dbraw/zinc/45/79/08/1377457908.db2.gz CYYZSQXFABESCA-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CCCc1ccc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001268114452 1377487454 /nfs/dbraw/zinc/48/74/54/1377487454.db2.gz QHEXVFFTLDSSLX-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1csc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001137155738 1377487461 /nfs/dbraw/zinc/48/74/61/1377487461.db2.gz GXGWFDQRUMVENV-UHFFFAOYSA-N 2 0 344.528 3.297 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001137206926 1377496647 /nfs/dbraw/zinc/49/66/47/1377496647.db2.gz RGBUSGDGWLXFPE-UHFFFAOYSA-N 2 0 325.456 3.161 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c[nH]c2ccc(F)cc12 ZINC001137341357 1377524799 /nfs/dbraw/zinc/52/47/99/1377524799.db2.gz JSVQVTHVWNWZQL-UHFFFAOYSA-N 2 0 334.483 3.012 20 0 EGADRP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC001137453109 1377549308 /nfs/dbraw/zinc/54/93/08/1377549308.db2.gz LHPNBOBDLAUMNO-UHFFFAOYSA-N 2 0 348.487 3.034 20 0 EGADRP CCc1ccccc1C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269345465 1377552187 /nfs/dbraw/zinc/55/21/87/1377552187.db2.gz RIQGNIVORFJNAG-UXHICEINSA-N 2 0 345.531 3.012 20 0 EGADRP CC[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001270789430 1377614174 /nfs/dbraw/zinc/61/41/74/1377614174.db2.gz VAUONKZDJJWDIG-PZJWPPBQSA-N 2 0 345.531 3.308 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3cccnc3NC)CC2)CC1 ZINC001138694951 1377769947 /nfs/dbraw/zinc/76/99/47/1377769947.db2.gz PBUTXMIDTZBKFM-UHFFFAOYSA-N 2 0 330.520 3.457 20 0 EGADRP Cc1ccc2cc(CN(CC[NH+](C)C)CC[NH+](C)C)c(Cl)nc2c1 ZINC001138859238 1377796013 /nfs/dbraw/zinc/79/60/13/1377796013.db2.gz NYQUMNDHPNWDPW-UHFFFAOYSA-N 2 0 348.922 3.122 20 0 EGADRP Cn1ccc2c1cccc2C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001139158941 1377841649 /nfs/dbraw/zinc/84/16/49/1377841649.db2.gz HHOKIFQRCMVTCL-KDURUIRLSA-N 2 0 346.478 3.137 20 0 EGADRP c1ncn(-c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc2)n1 ZINC001139332809 1377868949 /nfs/dbraw/zinc/86/89/49/1377868949.db2.gz NKGBLIQRIOCVCV-LJQANCHMSA-N 2 0 339.487 3.108 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2cc(O)ccc2c1 ZINC001139339307 1377870590 /nfs/dbraw/zinc/87/05/90/1377870590.db2.gz TZWVHOBQHLULCS-UHFFFAOYSA-N 2 0 343.515 3.251 20 0 EGADRP CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139355858 1377872631 /nfs/dbraw/zinc/87/26/31/1377872631.db2.gz CGXFAAUBJKLXKW-HXUWFJFHSA-N 2 0 341.455 3.428 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001139418776 1377880796 /nfs/dbraw/zinc/88/07/96/1377880796.db2.gz WLJWGQXQJYDTTN-UHFFFAOYSA-N 2 0 347.890 3.279 20 0 EGADRP C1=CC[NH+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139514647 1377895308 /nfs/dbraw/zinc/89/53/08/1377895308.db2.gz MGHBZGHQPMMUOC-UHFFFAOYSA-N 2 0 333.479 3.381 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2nccc(Br)c12 ZINC001139945190 1377981121 /nfs/dbraw/zinc/98/11/21/1377981121.db2.gz CQQFRNDAGKYHFB-UHFFFAOYSA-N 2 0 339.281 3.099 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2-c2cncnc2)CC1 ZINC001140023974 1377991859 /nfs/dbraw/zinc/99/18/59/1377991859.db2.gz SIXFWRRPFCAHPQ-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP COc1cc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c(OC)cc1C ZINC001275582330 1378144579 /nfs/dbraw/zinc/14/45/79/1378144579.db2.gz NBBWENYUBYFGRP-FQEVSTJZSA-N 2 0 332.488 3.320 20 0 EGADRP CCCc1ccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1 ZINC001275768336 1378156347 /nfs/dbraw/zinc/15/63/47/1378156347.db2.gz SMMWZWBJAJDFLT-UHFFFAOYSA-N 2 0 343.559 3.489 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC001327499809 1388536994 /nfs/dbraw/zinc/53/69/94/1388536994.db2.gz VMCJKSVCHKMZHV-UHFFFAOYSA-N 2 0 336.549 3.406 20 0 EGADRP C[NH+](C)CCN1CCC2(CC1)C[N@H+](CCCCF)Cc1ccccc12 ZINC001278205403 1378262545 /nfs/dbraw/zinc/26/25/45/1378262545.db2.gz KPCDMYPQBPGKKF-UHFFFAOYSA-N 2 0 347.522 3.147 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](CCC1CC1)C2 ZINC001278210969 1378263492 /nfs/dbraw/zinc/26/34/92/1378263492.db2.gz FMECJGIAMJSLKV-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611588 1378350602 /nfs/dbraw/zinc/35/06/02/1378350602.db2.gz DMEVDPDZXUIYFD-GJZGRUSLSA-N 2 0 342.405 3.488 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1nccnc1-c1ccc(Cl)cc1)CC2 ZINC001142977688 1378519771 /nfs/dbraw/zinc/51/97/71/1378519771.db2.gz AHEDXQPRWVERMB-UHFFFAOYSA-N 2 0 342.874 3.325 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001282678694 1378551643 /nfs/dbraw/zinc/55/16/43/1378551643.db2.gz YTYIYOAHANUDAP-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc2cccnc2[nH]1 ZINC001143222123 1378564510 /nfs/dbraw/zinc/56/45/10/1378564510.db2.gz YRIALNLMWBOQQD-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)cc(OC(F)(F)F)c1)CC2 ZINC001143262084 1378571870 /nfs/dbraw/zinc/57/18/70/1378571870.db2.gz JALBUSXQYVMTAK-UHFFFAOYSA-N 2 0 332.341 3.252 20 0 EGADRP Cc1cc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc(C)c1F ZINC001143380733 1378589895 /nfs/dbraw/zinc/58/98/95/1378589895.db2.gz SIOTUWITHMSSLR-KDURUIRLSA-N 2 0 339.458 3.401 20 0 EGADRP Cc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc(OC(F)(F)F)c1 ZINC001143472619 1378600687 /nfs/dbraw/zinc/60/06/87/1378600687.db2.gz RWYJJYBYJVOBPJ-UHFFFAOYSA-N 2 0 328.378 3.421 20 0 EGADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc(OC(F)(F)F)c1 ZINC001143472555 1378601076 /nfs/dbraw/zinc/60/10/76/1378601076.db2.gz RAWJVZDKEGYCRD-UHFFFAOYSA-N 2 0 328.378 3.421 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001143478707 1378602088 /nfs/dbraw/zinc/60/20/88/1378602088.db2.gz KYYSLTHEJICGAN-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1Br ZINC001144230586 1378702843 /nfs/dbraw/zinc/70/28/43/1378702843.db2.gz OLHSABQBSBHDGB-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001146391700 1378833008 /nfs/dbraw/zinc/83/30/08/1378833008.db2.gz ITGJTBSQSSONEY-SFHVURJKSA-N 2 0 345.531 3.191 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583479 1378870557 /nfs/dbraw/zinc/87/05/57/1378870557.db2.gz LNFWVCOJSAGJNX-SJORKVTESA-N 2 0 333.520 3.425 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583693 1378871027 /nfs/dbraw/zinc/87/10/27/1378871027.db2.gz NXITVWHNYORYGJ-IAGOWNOFSA-N 2 0 345.531 3.425 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001146608772 1378876379 /nfs/dbraw/zinc/87/63/79/1378876379.db2.gz BDQOOLQWBXZQDV-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001146614324 1378877602 /nfs/dbraw/zinc/87/76/02/1378877602.db2.gz XXXNIIWNNDWBST-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146609646 1378877869 /nfs/dbraw/zinc/87/78/69/1378877869.db2.gz FTCMHNJYLGRQRI-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146610167 1378878194 /nfs/dbraw/zinc/87/81/94/1378878194.db2.gz ICCZFYYITUPBRT-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146701589 1378901765 /nfs/dbraw/zinc/90/17/65/1378901765.db2.gz NOFRUBLEJJQKHK-HZPDHXFCSA-N 2 0 337.508 3.408 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC001146746957 1378912621 /nfs/dbraw/zinc/91/26/21/1378912621.db2.gz PDHJSVHGDUMVCT-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001147449267 1379023631 /nfs/dbraw/zinc/02/36/31/1379023631.db2.gz LYVJNWFRDSZVAS-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541187 1379039180 /nfs/dbraw/zinc/03/91/80/1379039180.db2.gz LKWNTAXEEDQWQQ-RURPWVQCSA-N 2 0 347.547 3.140 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147741996 1379070677 /nfs/dbraw/zinc/07/06/77/1379070677.db2.gz CRDUWJOFKXZLAY-ZMBJWTFHSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001147774159 1379076574 /nfs/dbraw/zinc/07/65/74/1379076574.db2.gz RPYMPTXDKUTDBE-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC3(CN(C(=O)CCC[NH+](C)C)C3)C2)C1 ZINC001148174838 1379128487 /nfs/dbraw/zinc/12/84/87/1379128487.db2.gz YCQOMNAYBYBWFA-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001283704596 1379129912 /nfs/dbraw/zinc/12/99/12/1379129912.db2.gz NVEDOEBKDPYNMI-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001148819991 1379275661 /nfs/dbraw/zinc/27/56/61/1379275661.db2.gz SFZHFYKKEDHZOC-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833606 1379278587 /nfs/dbraw/zinc/27/85/87/1379278587.db2.gz CYIQHOCITJLBFQ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)C1CCC(C[NH2+]CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001149252910 1379354452 /nfs/dbraw/zinc/35/44/52/1379354452.db2.gz BZGLTUVGQQONLT-NGICGMGXSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001151361669 1379706191 /nfs/dbraw/zinc/70/61/91/1379706191.db2.gz MLUINOAVONOPJX-LJQANCHMSA-N 2 0 349.494 3.249 20 0 EGADRP CC(C)(C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC001151903677 1379813751 /nfs/dbraw/zinc/81/37/51/1379813751.db2.gz QYSFIJBNZZUXMF-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001152464552 1379938854 /nfs/dbraw/zinc/93/88/54/1379938854.db2.gz WNOQBLUKMPILQX-OALUTQOASA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]([NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C)c1ccccc1 ZINC001284599068 1379999741 /nfs/dbraw/zinc/99/97/41/1379999741.db2.gz RTFVLZVSZHCFFX-AEFFLSMTSA-N 2 0 345.531 3.352 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312250 1380054365 /nfs/dbraw/zinc/05/43/65/1380054365.db2.gz BVLHJJDVPFXDEA-QUCCMNQESA-N 2 0 345.531 3.194 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451835 1380079049 /nfs/dbraw/zinc/07/90/49/1380079049.db2.gz KPDDTZUPHZMEAG-ZHALLVOQSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814753 1380135464 /nfs/dbraw/zinc/13/54/64/1380135464.db2.gz WQRLCUBTNOBNII-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818858 1380136200 /nfs/dbraw/zinc/13/62/00/1380136200.db2.gz CYYBRRIUNBONFG-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818788 1380136272 /nfs/dbraw/zinc/13/62/72/1380136272.db2.gz APDKFMIBGVNSNL-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879252 1380148358 /nfs/dbraw/zinc/14/83/58/1380148358.db2.gz BYISTWMTEMDFSB-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990991 1380172804 /nfs/dbraw/zinc/17/28/04/1380172804.db2.gz ZSUTYFUXDWVDPV-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033708 1380187098 /nfs/dbraw/zinc/18/70/98/1380187098.db2.gz KHRCFMLKMWOGLG-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034350 1380188238 /nfs/dbraw/zinc/18/82/38/1380188238.db2.gz ZBZILBFHQAYEIQ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCC1 ZINC001154070164 1380198498 /nfs/dbraw/zinc/19/84/98/1380198498.db2.gz RHADKTCDEYUJFX-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123370 1380213286 /nfs/dbraw/zinc/21/32/86/1380213286.db2.gz WQZYVHVTOLARJZ-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167657 1380219855 /nfs/dbraw/zinc/21/98/55/1380219855.db2.gz NYYSPSMAAGFBGP-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263632 1380430093 /nfs/dbraw/zinc/43/00/93/1380430093.db2.gz UDGDCHUWDMHLND-QGZVFWFLSA-N 2 0 327.557 3.371 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631733 1380476617 /nfs/dbraw/zinc/47/66/17/1380476617.db2.gz YWZDZYOMMKYKRM-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631523 1380476740 /nfs/dbraw/zinc/47/67/40/1380476740.db2.gz RSKOCLZNZDLGIT-CNZFZVQHSA-N 2 0 337.552 3.291 20 0 EGADRP Cc1cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(C[NH3+])c1 ZINC001156317739 1380557464 /nfs/dbraw/zinc/55/74/64/1380557464.db2.gz NEWXXAJVIJTGFG-YZGWKJHDSA-N 2 0 336.483 3.171 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156319159 1380557905 /nfs/dbraw/zinc/55/79/05/1380557905.db2.gz OMUQUMAFMYOUMM-IEBWSBKVSA-N 2 0 333.520 3.306 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098492 1380775413 /nfs/dbraw/zinc/77/54/13/1380775413.db2.gz IBWHGEPSKKOSHS-GOSISDBHSA-N 2 0 325.541 3.269 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157108674 1380777683 /nfs/dbraw/zinc/77/76/83/1380777683.db2.gz ABTTWYDQXDEUDI-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157119301 1380781474 /nfs/dbraw/zinc/78/14/74/1380781474.db2.gz UGEYABTUNMMVHY-CZDHMLMNSA-N 2 0 343.943 3.076 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001157893391 1381062589 /nfs/dbraw/zinc/06/25/89/1381062589.db2.gz FEHYVBFRJPYYIU-OALUTQOASA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001157899263 1381065466 /nfs/dbraw/zinc/06/54/66/1381065466.db2.gz LWMWJZDTPQDUNH-MOPGFXCFSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)CCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100263 1381127290 /nfs/dbraw/zinc/12/72/90/1381127290.db2.gz ZLVDXWAJYWDGQU-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC1(C)CC(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001158099962 1381127707 /nfs/dbraw/zinc/12/77/07/1381127707.db2.gz UGOGIZHSSSNJJC-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1)[NH+](C)C ZINC001158124924 1381135470 /nfs/dbraw/zinc/13/54/70/1381135470.db2.gz XZEROAZGHGGURI-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186138 1381152420 /nfs/dbraw/zinc/15/24/20/1381152420.db2.gz OMRJLXOWTITIJA-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP Cc1ccc2nc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)ccc2c1 ZINC001158574693 1381306084 /nfs/dbraw/zinc/30/60/84/1381306084.db2.gz CNUNWYDNXYNQFF-UHFFFAOYSA-N 2 0 338.499 3.196 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158605039 1381316588 /nfs/dbraw/zinc/31/65/88/1381316588.db2.gz LAOVAFOVCVKUFL-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC ZINC001158739699 1381376719 /nfs/dbraw/zinc/37/67/19/1381376719.db2.gz PONFJVNYNHOFCX-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751534 1381382567 /nfs/dbraw/zinc/38/25/67/1381382567.db2.gz WLVQKWVYVZIPES-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158923149 1381465455 /nfs/dbraw/zinc/46/54/55/1381465455.db2.gz QFCJLLAZENDYME-GOSISDBHSA-N 2 0 325.541 3.076 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001159155514 1381675056 /nfs/dbraw/zinc/67/50/56/1381675056.db2.gz PBPOAHMVVRUOJJ-UHFFFAOYSA-N 2 0 339.549 3.346 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001328401202 1388737379 /nfs/dbraw/zinc/73/73/79/1388737379.db2.gz UQPMRFRYBSFDMN-JYJNAYRXSA-N 2 0 334.533 3.001 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC001159168771 1381703829 /nfs/dbraw/zinc/70/38/29/1381703829.db2.gz AKCIAWSMHDPDIZ-HNNXBMFYSA-N 2 0 345.512 3.280 20 0 EGADRP CC[NH+](CC)CCn1cc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cn1 ZINC001159776761 1381896725 /nfs/dbraw/zinc/89/67/25/1381896725.db2.gz WHWKSUIDOLJDEQ-QGZVFWFLSA-N 2 0 327.476 3.045 20 0 EGADRP Cc1sc2nc(-c3cccs3)nc(N[C@@H]([NH3+])CCC[NH3+])c2c1C ZINC001159787186 1381900174 /nfs/dbraw/zinc/90/01/74/1381900174.db2.gz SYRIPRCAROBBFG-GFCCVEGCSA-N 2 0 347.513 3.472 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001159911524 1381935327 /nfs/dbraw/zinc/93/53/27/1381935327.db2.gz ZVDAOOSVQHYZLD-AZUAARDMSA-N 2 0 343.515 3.033 20 0 EGADRP C[NH2+]Cc1cccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c1F ZINC001160134985 1382010499 /nfs/dbraw/zinc/01/04/99/1382010499.db2.gz NIOWJBCHQYKDFU-CYBMUJFWSA-N 2 0 333.382 3.169 20 0 EGADRP c1ccc(C[N@@H+]2CCc3nc(NC[C@@H]4CCCC[NH2+]4)ccc3C2)cc1 ZINC001160145881 1382015837 /nfs/dbraw/zinc/01/58/37/1382015837.db2.gz XAOCDGFCWNODRF-IBGZPJMESA-N 2 0 336.483 3.194 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001160175373 1382025047 /nfs/dbraw/zinc/02/50/47/1382025047.db2.gz OIPBJYACCLGMLQ-IEBWSBKVSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001160273348 1382058339 /nfs/dbraw/zinc/05/83/39/1382058339.db2.gz KSMFPGPRSSCOHT-HKUYNNGSSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160352462 1382080814 /nfs/dbraw/zinc/08/08/14/1382080814.db2.gz IJRUKVWLXLHQPA-HXUWFJFHSA-N 2 0 347.547 3.069 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160368001 1382085283 /nfs/dbraw/zinc/08/52/83/1382085283.db2.gz YFQJMEKWCAOCAB-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379096 1382087631 /nfs/dbraw/zinc/08/76/31/1382087631.db2.gz BCSFPKWZZPIDCH-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160405881 1382095688 /nfs/dbraw/zinc/09/56/88/1382095688.db2.gz CQKNFCZJLLBDLA-IBGZPJMESA-N 2 0 337.552 3.147 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001160834200 1382212542 /nfs/dbraw/zinc/21/25/42/1382212542.db2.gz FKQSUXCTJRGOFN-SFHVURJKSA-N 2 0 343.515 3.028 20 0 EGADRP Cc1sc2nc(C)nc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c2c1C ZINC001160945754 1382246704 /nfs/dbraw/zinc/24/67/04/1382246704.db2.gz KIENGZQXNOHLRY-UHFFFAOYSA-N 2 0 337.452 3.457 20 0 EGADRP [NH3+]CCc1cn(-c2cc(F)cc3ncnc(Cl)c32)c2cc[nH+]cc12 ZINC001160950348 1382249262 /nfs/dbraw/zinc/24/92/62/1382249262.db2.gz KXHCLVUEANUDCN-UHFFFAOYSA-N 2 0 341.777 3.262 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161020678 1382275927 /nfs/dbraw/zinc/27/59/27/1382275927.db2.gz HUSHPKJMYLKRDY-INIZCTEOSA-N 2 0 347.503 3.139 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161028558 1382276949 /nfs/dbraw/zinc/27/69/49/1382276949.db2.gz GLYBRUMWRGKPQW-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001161042378 1382281170 /nfs/dbraw/zinc/28/11/70/1382281170.db2.gz PLZMQHCZXJGVKI-LJQANCHMSA-N 2 0 345.531 3.064 20 0 EGADRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001161089732 1382295312 /nfs/dbraw/zinc/29/53/12/1382295312.db2.gz MYWRYGXANFUDLX-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP Cc1c[nH+]c(NCC2CC[NH+](Cc3ccccc3F)CC2)c(N)c1 ZINC001161194178 1382336167 /nfs/dbraw/zinc/33/61/67/1382336167.db2.gz MOFMSNDRBKDWPF-UHFFFAOYSA-N 2 0 328.435 3.435 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161208054 1382342033 /nfs/dbraw/zinc/34/20/33/1382342033.db2.gz YXHCHXXBQYYNSM-OALUTQOASA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161214288 1382344827 /nfs/dbraw/zinc/34/48/27/1382344827.db2.gz XSIOSQGHZPJKDV-IEBWSBKVSA-N 2 0 337.552 3.291 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC)c1ccc(F)cc1 ZINC001161227006 1382348507 /nfs/dbraw/zinc/34/85/07/1382348507.db2.gz SSIZMOVMIIYFPF-QGZVFWFLSA-N 2 0 337.483 3.103 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001161226356 1382349091 /nfs/dbraw/zinc/34/90/91/1382349091.db2.gz FEGQXEJHPCLONZ-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001161238888 1382351068 /nfs/dbraw/zinc/35/10/68/1382351068.db2.gz BYDIACHIFIYMJA-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC2=CC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC001161390838 1382395665 /nfs/dbraw/zinc/39/56/65/1382395665.db2.gz LFEBEOIRQSYFAD-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP Cc1ccccc1C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161518718 1382428863 /nfs/dbraw/zinc/42/88/63/1382428863.db2.gz OQOBADUKKWQQSC-UHFFFAOYSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161519111 1382429502 /nfs/dbraw/zinc/42/95/02/1382429502.db2.gz YOCJABBSMAGQNT-QGZVFWFLSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001161563759 1382440074 /nfs/dbraw/zinc/44/00/74/1382440074.db2.gz HCSDYGFRYZVYBE-HNNXBMFYSA-N 2 0 330.476 3.034 20 0 EGADRP CC(C)(C)CN(c1cccc(N2CCOCC2)[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161680168 1382478668 /nfs/dbraw/zinc/47/86/68/1382478668.db2.gz HKIPUHFTAJXNKV-QAQDUYKDSA-N 2 0 346.519 3.041 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC1=CC[N@H+](CCC)CC1 ZINC001161683222 1382480278 /nfs/dbraw/zinc/48/02/78/1382480278.db2.gz RVSXHSOUSMRMRF-UHFFFAOYSA-N 2 0 337.552 3.437 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161699222 1382483698 /nfs/dbraw/zinc/48/36/98/1382483698.db2.gz OKDJWKFCURRHJQ-KKHYBRAUSA-N 2 0 347.547 3.213 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704534 1382485128 /nfs/dbraw/zinc/48/51/28/1382485128.db2.gz CDMXIQOHMRPICB-UXHICEINSA-N 2 0 347.547 3.211 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2=CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001161704505 1382485165 /nfs/dbraw/zinc/48/51/65/1382485165.db2.gz BKOFUSFVPKEFTN-IBGZPJMESA-N 2 0 349.563 3.293 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001161733444 1382491735 /nfs/dbraw/zinc/49/17/35/1382491735.db2.gz CIKKZDOKLSKCHU-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161750135 1382495263 /nfs/dbraw/zinc/49/52/63/1382495263.db2.gz XEKMINVSHLQEMW-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893280 1382542179 /nfs/dbraw/zinc/54/21/79/1382542179.db2.gz AVABOIPYGGJGOF-IBGZPJMESA-N 2 0 349.563 3.437 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932550 1382558862 /nfs/dbraw/zinc/55/88/62/1382558862.db2.gz UOFLFFDRGRBNPP-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(Br)cc2c[nH+]cn21 ZINC001162470772 1382767229 /nfs/dbraw/zinc/76/72/29/1382767229.db2.gz MBUKNCRYKAKMLH-RYUDHWBXSA-N 2 0 337.265 3.144 20 0 EGADRP O=C(NCCC[NH2+]CC/C=C/c1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001162617821 1382811166 /nfs/dbraw/zinc/81/11/66/1382811166.db2.gz UJCXLSKJJCMIQG-RUDMXATFSA-N 2 0 348.450 3.147 20 0 EGADRP CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001162836855 1382890226 /nfs/dbraw/zinc/89/02/26/1382890226.db2.gz UJMFDFPYBNKWHJ-FQEVSTJZSA-N 2 0 347.547 3.034 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N(CC[NH2+]CC(C)C)CCc1ccccc1 ZINC001162848989 1382894307 /nfs/dbraw/zinc/89/43/07/1382894307.db2.gz LRPDHNVDQVQNKU-UHFFFAOYSA-N 2 0 347.547 3.034 20 0 EGADRP CC[C@@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162934730 1382920424 /nfs/dbraw/zinc/92/04/24/1382920424.db2.gz JFMPQKGZERVTLF-QUCCMNQESA-N 2 0 347.547 3.034 20 0 EGADRP CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001162935452 1382920711 /nfs/dbraw/zinc/92/07/11/1382920711.db2.gz XCUBWEBIQCPFKB-UHFFFAOYSA-N 2 0 347.547 3.034 20 0 EGADRP CC(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163006624 1382945607 /nfs/dbraw/zinc/94/56/07/1382945607.db2.gz GVUXUESAEJELGC-UHFFFAOYSA-N 2 0 347.547 3.034 20 0 EGADRP Cc1ccc2c(c1)[C@@H](Nc1cc(N)c(F)c[nH+]1)CC21CC[NH2+]CC1 ZINC001163030931 1382952137 /nfs/dbraw/zinc/95/21/37/1382952137.db2.gz NTGJQMLXDUGSIR-KRWDZBQOSA-N 2 0 326.419 3.289 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001163249395 1383004616 /nfs/dbraw/zinc/00/46/16/1383004616.db2.gz ZNCWKHSRZVMDCC-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(CCNC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001163820511 1383125336 /nfs/dbraw/zinc/12/53/36/1383125336.db2.gz FWJFSNOLLGWKNA-IEBWSBKVSA-N 2 0 343.515 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001164455588 1383188548 /nfs/dbraw/zinc/18/85/48/1383188548.db2.gz DKUMSFXVAQAJOR-SJLPKXTDSA-N 2 0 349.494 3.105 20 0 EGADRP Cc1[nH+]ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1F ZINC001164499546 1383193859 /nfs/dbraw/zinc/19/38/59/1383193859.db2.gz RRXIBBZDNFNWGS-KZNAEPCWSA-N 2 0 325.431 3.274 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164535923 1383197036 /nfs/dbraw/zinc/19/70/36/1383197036.db2.gz COAZOUQCHVNKLH-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554792 1383198607 /nfs/dbraw/zinc/19/86/07/1383198607.db2.gz HFZFCCOGPMENBV-SFHVURJKSA-N 2 0 349.563 3.031 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(OC4CCC4)CC3)c2)CC1 ZINC001164578321 1383200981 /nfs/dbraw/zinc/20/09/81/1383200981.db2.gz UCVZKTGMWGGPJC-UHFFFAOYSA-N 2 0 345.487 3.093 20 0 EGADRP C[C@@H]1CN(c2cc(-n3ccnc3)cc[nH+]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165203625 1383248858 /nfs/dbraw/zinc/24/88/58/1383248858.db2.gz ZOEZATPOKRWDTM-MSOLQXFVSA-N 2 0 347.466 3.367 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165465248 1383299067 /nfs/dbraw/zinc/29/90/67/1383299067.db2.gz ZKUZUQDQNSPVBO-SREVYHEPSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1)C1CC1 ZINC001165485278 1383301535 /nfs/dbraw/zinc/30/15/35/1383301535.db2.gz QWXPIFCOVMKFHX-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1)C1CCC1 ZINC001165492322 1383302922 /nfs/dbraw/zinc/30/29/22/1383302922.db2.gz QHOKVGCUEPBBRY-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165617092 1383315991 /nfs/dbraw/zinc/31/59/91/1383315991.db2.gz IJBWHIGKITZCKX-MSOLQXFVSA-N 2 0 339.568 3.131 20 0 EGADRP Cc1[nH+]c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc2[nH]ccc21 ZINC001165668427 1383321824 /nfs/dbraw/zinc/32/18/24/1383321824.db2.gz ANZKUIAFYLEILI-OAHLLOKOSA-N 2 0 342.487 3.387 20 0 EGADRP CC(C)(C)N(c1[nH+]ccc2[nH]ccc21)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165672583 1383323277 /nfs/dbraw/zinc/32/32/77/1383323277.db2.gz UVDOXLNIVWPCFS-AWEZNQCLSA-N 2 0 328.460 3.079 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165912148 1383363144 /nfs/dbraw/zinc/36/31/44/1383363144.db2.gz NOKIMOOQLPPGBD-UHFFFAOYSA-N 2 0 342.487 3.323 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](C)C ZINC001166010083 1383376349 /nfs/dbraw/zinc/37/63/49/1383376349.db2.gz GKXNRAKYUCRUCM-HXUWFJFHSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001166009864 1383376595 /nfs/dbraw/zinc/37/65/95/1383376595.db2.gz ABXFXGABAKJXRR-RHSMWYFYSA-N 2 0 339.911 3.083 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001166380660 1383417472 /nfs/dbraw/zinc/41/74/72/1383417472.db2.gz DUWNAHRYOMJTQM-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001166677407 1383458547 /nfs/dbraw/zinc/45/85/47/1383458547.db2.gz IZZYAXUUCQGTHL-ROUUACIJSA-N 2 0 345.531 3.309 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001166686693 1383460588 /nfs/dbraw/zinc/46/05/88/1383460588.db2.gz DITJKBBJCQNAJA-JXFKEZNVSA-N 2 0 349.494 3.056 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744360 1383469797 /nfs/dbraw/zinc/46/97/97/1383469797.db2.gz SGONZOAFXRGPPS-KRWDZBQOSA-N 2 0 333.520 3.130 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001166751389 1383471499 /nfs/dbraw/zinc/47/14/99/1383471499.db2.gz QCXSIFMIBPUSLF-KRWDZBQOSA-N 2 0 333.520 3.130 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001166843103 1383486273 /nfs/dbraw/zinc/48/62/73/1383486273.db2.gz QRINJFGJRFHMSC-WMZOPIPTSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001166858682 1383488998 /nfs/dbraw/zinc/48/89/98/1383488998.db2.gz WZWXUQXMWIAOFV-LPHOPBHVSA-N 2 0 333.520 3.307 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166863491 1383489498 /nfs/dbraw/zinc/48/94/98/1383489498.db2.gz LECILHFICVECCL-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001166862934 1383489535 /nfs/dbraw/zinc/48/95/35/1383489535.db2.gz CIIQGRSGQPORBW-UHFFFAOYSA-N 2 0 349.519 3.267 20 0 EGADRP [NH3+]C1CCN(c2cccc(N3CC[C@@H](C4CCCCC4)C3)[nH+]2)CC1 ZINC001167068176 1383532642 /nfs/dbraw/zinc/53/26/42/1383532642.db2.gz OSURMUXTBODBRR-QGZVFWFLSA-N 2 0 328.504 3.416 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385870 1383618859 /nfs/dbraw/zinc/61/88/59/1383618859.db2.gz WNCMJMQOBCSRSU-SFFCAUCYSA-N 2 0 349.563 3.482 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)CC1 ZINC001167391600 1383621152 /nfs/dbraw/zinc/62/11/52/1383621152.db2.gz MVPARSZTTWLRCL-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425057 1383629773 /nfs/dbraw/zinc/62/97/73/1383629773.db2.gz AAWXFPSRQDZEAI-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425756 1383630221 /nfs/dbraw/zinc/63/02/21/1383630221.db2.gz JODDEGIBZNWVFC-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425060 1383630395 /nfs/dbraw/zinc/63/03/95/1383630395.db2.gz AAWXFPSRQDZEAI-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001167619397 1383690427 /nfs/dbraw/zinc/69/04/27/1383690427.db2.gz BKTUKZKUUDXADP-RBUKOAKNSA-N 2 0 345.531 3.416 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167694256 1383712367 /nfs/dbraw/zinc/71/23/67/1383712367.db2.gz HVXOCISBLSIVNH-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001167812828 1383746204 /nfs/dbraw/zinc/74/62/04/1383746204.db2.gz WVWNPYMBNIIGBC-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@]2(COC)C1 ZINC001167821054 1383748709 /nfs/dbraw/zinc/74/87/09/1383748709.db2.gz AEZYGCYXCQQQID-IPMKNSEASA-N 2 0 326.525 3.014 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001167824267 1383749447 /nfs/dbraw/zinc/74/94/47/1383749447.db2.gz CYRSDBRKHVWDQA-QGZVFWFLSA-N 2 0 349.494 3.094 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001167827444 1383750819 /nfs/dbraw/zinc/75/08/19/1383750819.db2.gz WCWDDDLBUARIGH-SJORKVTESA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001167827062 1383750918 /nfs/dbraw/zinc/75/09/18/1383750918.db2.gz RZNHCTMTTPCBBZ-ICSRJNTNSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(CCc2cccs2)CC1 ZINC001167827153 1383751098 /nfs/dbraw/zinc/75/10/98/1383751098.db2.gz UBCAVUOSYSRHML-GOSISDBHSA-N 2 0 337.577 3.419 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC001167842783 1383756363 /nfs/dbraw/zinc/75/63/63/1383756363.db2.gz YRDGCTLCQJSNLR-INIZCTEOSA-N 2 0 332.488 3.342 20 0 EGADRP c1cnn(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)c2)c1 ZINC001167964611 1383780085 /nfs/dbraw/zinc/78/00/85/1383780085.db2.gz UWZWXXYBHMIXQV-IHWFROFDSA-N 2 0 336.483 3.367 20 0 EGADRP C[N@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)Cc1ccccc1 ZINC001167964762 1383780636 /nfs/dbraw/zinc/78/06/36/1383780636.db2.gz XOUXENHSLPIXIU-SEJPIABJSA-N 2 0 327.516 3.113 20 0 EGADRP c1cnn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cc2)c1 ZINC001167964026 1383780718 /nfs/dbraw/zinc/78/07/18/1383780718.db2.gz LACVHRAZQRUFIY-VCSGRIEYSA-N 2 0 336.483 3.367 20 0 EGADRP CC(C)(O)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167974846 1383784601 /nfs/dbraw/zinc/78/46/01/1383784601.db2.gz BUSDUYVMWBGRJD-NXEWRWPSSA-N 2 0 328.500 3.494 20 0 EGADRP c1ccc(C[C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167996118 1383792153 /nfs/dbraw/zinc/79/21/53/1383792153.db2.gz WVHVKMSYUZBQAM-MQEZQYLSSA-N 2 0 325.500 3.494 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009177 1383795820 /nfs/dbraw/zinc/79/58/20/1383795820.db2.gz HHOKUGKCPFNHEU-XEMDLRDOSA-N 2 0 326.488 3.223 20 0 EGADRP C[C@@H]1CC(N2CCC([NH+](C)C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168038917 1383802826 /nfs/dbraw/zinc/80/28/26/1383802826.db2.gz AEQZHGFUMHKSTJ-QZTJIDSGSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H]1CN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC001168059272 1383807046 /nfs/dbraw/zinc/80/70/46/1383807046.db2.gz DCSZNCPGSKGDSJ-CADBVGFASA-N 2 0 329.532 3.452 20 0 EGADRP C[C@H]1CC([NH+]2CC3(C2)CC[NH+](C)CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059486 1383807630 /nfs/dbraw/zinc/80/76/30/1383807630.db2.gz UEFPMTJTSFJYCA-OALUTQOASA-N 3 0 341.543 3.456 20 0 EGADRP CC1CCC([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CC1 ZINC001168203220 1383842781 /nfs/dbraw/zinc/84/27/81/1383842781.db2.gz IYCJFFNOIHOPRT-URYRSFGFSA-N 2 0 333.564 3.494 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297080 1383866554 /nfs/dbraw/zinc/86/65/54/1383866554.db2.gz FTYBMPLNSFLKAE-ONEGZZNKSA-N 2 0 335.536 3.095 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH2+]C3CCC([NH+](C)C)CC3)cc2)n1 ZINC001168297921 1383866583 /nfs/dbraw/zinc/86/65/83/1383866583.db2.gz OKUMQIUREAPONX-UHFFFAOYSA-N 2 0 326.488 3.452 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC001168298356 1383866816 /nfs/dbraw/zinc/86/68/16/1383866816.db2.gz OPDNCGOITKCHAF-UYSNPLJNSA-N 2 0 330.394 3.201 20 0 EGADRP CN(CCCC[NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001168298035 1383866939 /nfs/dbraw/zinc/86/69/39/1383866939.db2.gz YLZDJGFDJWMIOG-UHFFFAOYSA-N 2 0 327.513 3.096 20 0 EGADRP COc1cccc(C2(C[NH2+]C3CCC([NH+](C)C)CC3)CCOCC2)c1 ZINC001168304794 1383868180 /nfs/dbraw/zinc/86/81/80/1383868180.db2.gz DRJAJWBYJRTMGA-UHFFFAOYSA-N 2 0 346.515 3.206 20 0 EGADRP COc1cccc(CN2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168306083 1383868423 /nfs/dbraw/zinc/86/84/23/1383868423.db2.gz ZNSQBRQDIUVGOO-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001168324221 1383873491 /nfs/dbraw/zinc/87/34/91/1383873491.db2.gz KQGWCGUWHBAPBM-UHFFFAOYSA-N 2 0 333.495 3.206 20 0 EGADRP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)C1CCC([NH+](C)C)CC1 ZINC001168327908 1383874287 /nfs/dbraw/zinc/87/42/87/1383874287.db2.gz STTQIJAMUAMAGG-UHFFFAOYSA-N 2 0 327.513 3.094 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@H](c2ccccc2)C1 ZINC001168328248 1383874614 /nfs/dbraw/zinc/87/46/14/1383874614.db2.gz BOZZWFGLSKOCAP-FVELJTHGSA-N 2 0 344.499 3.486 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001168335665 1383876267 /nfs/dbraw/zinc/87/62/67/1383876267.db2.gz OVLDOOFJVYEIHG-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001168344538 1383879499 /nfs/dbraw/zinc/87/94/99/1383879499.db2.gz DPZLFBZUEMBWPQ-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP COC(=O)CC(C)(C)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001168351805 1383880416 /nfs/dbraw/zinc/88/04/16/1383880416.db2.gz XUVMPOLGIRHIQR-UHFFFAOYSA-N 2 0 332.488 3.446 20 0 EGADRP CC(C)(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365404 1383884467 /nfs/dbraw/zinc/88/44/67/1383884467.db2.gz QSUFRTDURWDNNL-IYARVYRRSA-N 2 0 349.563 3.314 20 0 EGADRP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168373383 1383888472 /nfs/dbraw/zinc/88/84/72/1383888472.db2.gz QBSQNXPEGWFCSS-OAQYLSRUSA-N 2 0 327.516 3.067 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CC2CC3(CCC3)C2)cc1 ZINC001168435145 1383906063 /nfs/dbraw/zinc/90/60/63/1383906063.db2.gz XFCNKFZVDLQBTL-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP CCC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001168455387 1383910777 /nfs/dbraw/zinc/91/07/77/1383910777.db2.gz SBVMSHASPNUIAD-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)C(C)C ZINC001168666423 1383964507 /nfs/dbraw/zinc/96/45/07/1383964507.db2.gz GENLDSCRGZTFFE-LJQANCHMSA-N 2 0 337.552 3.339 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]Cc1csc(C)c1)C(C)C ZINC001168666721 1383964865 /nfs/dbraw/zinc/96/48/65/1383964865.db2.gz JRKPPEADIAJJBL-KRWDZBQOSA-N 2 0 339.549 3.019 20 0 EGADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307485099 1383997384 /nfs/dbraw/zinc/99/73/84/1383997384.db2.gz CPRSNLHBDMJPQL-DFQSSKMNSA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168810456 1384014506 /nfs/dbraw/zinc/01/45/06/1384014506.db2.gz GSIROLYUHPUEIM-GVDBMIGSSA-N 2 0 341.540 3.484 20 0 EGADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307706895 1384016963 /nfs/dbraw/zinc/01/69/63/1384016963.db2.gz NNEMXSNCMZSISO-QRQLOZEOSA-N 2 0 345.531 3.210 20 0 EGADRP CC(C)CN(C(=O)CN1CCC[C@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001308001800 1384071622 /nfs/dbraw/zinc/07/16/22/1384071622.db2.gz HQWSLWQHSYEBMS-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001169068501 1384103269 /nfs/dbraw/zinc/10/32/69/1384103269.db2.gz OHKKTOPTUIVLNL-HXUWFJFHSA-N 2 0 330.516 3.344 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1cncc(C(F)(F)F)c1)C2 ZINC001169077920 1384103687 /nfs/dbraw/zinc/10/36/87/1384103687.db2.gz BQQFLHODWBPNAI-PHZGNYQRSA-N 2 0 327.394 3.248 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169090268 1384105015 /nfs/dbraw/zinc/10/50/15/1384105015.db2.gz JFMDVECBTJYIQY-KINXCBNHSA-N 2 0 339.527 3.112 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)cc1)C2 ZINC001169107435 1384107815 /nfs/dbraw/zinc/10/78/15/1384107815.db2.gz GQQNRGNQXZKEPV-PHZGNYQRSA-N 2 0 342.405 3.385 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001169109384 1384108164 /nfs/dbraw/zinc/10/81/64/1384108164.db2.gz BOHKHKDELHKRPP-REPLKXPHSA-N 2 0 332.463 3.132 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169117879 1384109190 /nfs/dbraw/zinc/10/91/90/1384109190.db2.gz BEOIHXSLNNJNFJ-BWTSREIZSA-N 2 0 347.934 3.301 20 0 EGADRP Cc1cc(N2CCOCC2)[nH+]cc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169141118 1384112637 /nfs/dbraw/zinc/11/26/37/1384112637.db2.gz AALCCYVFCZDZEI-OXJNMPFZSA-N 2 0 346.519 3.182 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C2 ZINC001169162497 1384117481 /nfs/dbraw/zinc/11/74/81/1384117481.db2.gz UCZWBGUJELTHEV-AERCQKQUSA-N 2 0 345.506 3.347 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001308368292 1384122624 /nfs/dbraw/zinc/12/26/24/1384122624.db2.gz RDRRGXLDFIGSFT-RDJZCZTQSA-N 2 0 326.488 3.316 20 0 EGADRP COc1ccccc1N1CCC([NH2+]CCN2CCCC(C)(C)C2)CC1 ZINC001308385412 1384123084 /nfs/dbraw/zinc/12/30/84/1384123084.db2.gz PZICFBRACUFOHA-UHFFFAOYSA-N 2 0 345.531 3.376 20 0 EGADRP CC[NH+]1CCC(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001169256178 1384127890 /nfs/dbraw/zinc/12/78/90/1384127890.db2.gz YDFVZXPTKONHQT-OAQYLSRUSA-N 2 0 345.506 3.350 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2[nH]ccc2c1 ZINC001308739775 1384146220 /nfs/dbraw/zinc/14/62/20/1384146220.db2.gz FDDLZEIKARZEOG-IBGZPJMESA-N 2 0 328.504 3.016 20 0 EGADRP CCC(CC)[N@H+]([C@@H](C)CC(=O)N(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169452706 1384149551 /nfs/dbraw/zinc/14/95/51/1384149551.db2.gz QFCUXEVVECUYPE-BQFCYCMXSA-N 2 0 325.541 3.394 20 0 EGADRP C/C=C(\NC=[NH2+])n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001169607789 1384164460 /nfs/dbraw/zinc/16/44/60/1384164460.db2.gz VVEREWRDLFEZDG-JLZUIIAYSA-N 2 0 326.322 3.056 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001169647273 1384168510 /nfs/dbraw/zinc/16/85/10/1384168510.db2.gz ZJGSMNAEBUPZAB-MOPGFXCFSA-N 2 0 347.503 3.280 20 0 EGADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169719916 1384177999 /nfs/dbraw/zinc/17/79/99/1384177999.db2.gz DRZRSFHDEQAEOV-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729984 1384179677 /nfs/dbraw/zinc/17/96/77/1384179677.db2.gz YBORXZNHBWYWCE-AZUAARDMSA-N 2 0 345.531 3.391 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001169798929 1384187476 /nfs/dbraw/zinc/18/74/76/1384187476.db2.gz SYCKYMGYACBRRH-UYAOXDASSA-N 2 0 345.531 3.162 20 0 EGADRP CCC(CC)[N@@H+](C1CCC(S(C)(=O)=O)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169868669 1384193300 /nfs/dbraw/zinc/19/33/00/1384193300.db2.gz UXABKAMACOHZOD-SVOYEFRLSA-N 2 0 344.565 3.103 20 0 EGADRP CN(c1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1)C(C)(C)C[NH3+] ZINC001170059652 1384227165 /nfs/dbraw/zinc/22/71/65/1384227165.db2.gz QGSCNTFVJUZEHB-LJQANCHMSA-N 2 0 340.515 3.339 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001170235126 1384273104 /nfs/dbraw/zinc/27/31/04/1384273104.db2.gz YSMVQTGBWQKJQU-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001170418761 1384313501 /nfs/dbraw/zinc/31/35/01/1384313501.db2.gz ACELDGUZHZKNOU-GOSISDBHSA-N 2 0 332.488 3.448 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001170749636 1384377541 /nfs/dbraw/zinc/37/75/41/1384377541.db2.gz AEWWXPSXYMEWFB-ZWKOTPCHSA-N 2 0 343.531 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001170783888 1384384347 /nfs/dbraw/zinc/38/43/47/1384384347.db2.gz AQYCMCKVULMOPE-FQEVSTJZSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170794270 1384386831 /nfs/dbraw/zinc/38/68/31/1384386831.db2.gz CGKIDBPJDVRDIG-MSOLQXFVSA-N 2 0 337.552 3.314 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170815939 1384391046 /nfs/dbraw/zinc/39/10/46/1384391046.db2.gz CIDYOYWHBHDXBK-APWZRJJASA-N 2 0 337.552 3.029 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170851946 1384398425 /nfs/dbraw/zinc/39/84/25/1384398425.db2.gz VTEZZWFJHMIOJW-SUMWQHHRSA-N 2 0 337.305 3.238 20 0 EGADRP C[C@@H]1[C@H]2CC[N@@H+]1C[C@@H]([NH2+][C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001170857419 1384399797 /nfs/dbraw/zinc/39/97/97/1384399797.db2.gz QPBNSSBATCXOTF-GLFJAGTFSA-N 2 0 349.316 3.379 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC001170872708 1384402621 /nfs/dbraw/zinc/40/26/21/1384402621.db2.gz YWJSLOKVKHWQDR-OKZBNKHCSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1sc2ncnc(N[C@@H]([NH3+])CCC[NH3+])c2c1-c1ccc(C)cc1 ZINC001170899246 1384407875 /nfs/dbraw/zinc/40/78/75/1384407875.db2.gz YRTYXTNQIDGNDF-CQSZACIVSA-N 2 0 341.484 3.411 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171068201 1384440504 /nfs/dbraw/zinc/44/05/04/1384440504.db2.gz FAXAPTYTCMIMJI-WMZOPIPTSA-N 2 0 345.547 3.367 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171068197 1384440693 /nfs/dbraw/zinc/44/06/93/1384440693.db2.gz FAXAPTYTCMIMJI-FUHWJXTLSA-N 2 0 345.547 3.367 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001171173682 1384460816 /nfs/dbraw/zinc/46/08/16/1384460816.db2.gz FSFNKDFBIADVPA-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238592 1384476578 /nfs/dbraw/zinc/47/65/78/1384476578.db2.gz WIXDYDBZPBIFNH-INIZCTEOSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246577 1384477633 /nfs/dbraw/zinc/47/76/33/1384477633.db2.gz FXOIMUBIDIXPFJ-QAPCUYQASA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248203 1384478216 /nfs/dbraw/zinc/47/82/16/1384478216.db2.gz QVVBBHUPLQMHSB-QAPCUYQASA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCF)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248060 1384478427 /nfs/dbraw/zinc/47/84/27/1384478427.db2.gz QIOKEDFLSDTTHF-WMZOPIPTSA-N 2 0 341.515 3.018 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254563 1384480012 /nfs/dbraw/zinc/48/00/12/1384480012.db2.gz UNYGDMKBYMPHPC-HPFMTEOYSA-N 2 0 337.552 3.482 20 0 EGADRP c1ccc(N2CC[NH2+]CC2)c(CNc2cc(-c3ccncc3)ccn2)c1 ZINC001171283241 1384485290 /nfs/dbraw/zinc/48/52/90/1384485290.db2.gz PFTSNPOVYBAQFI-UHFFFAOYSA-N 2 0 345.450 3.165 20 0 EGADRP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001171287194 1384485955 /nfs/dbraw/zinc/48/59/55/1384485955.db2.gz CVLMKHGWTJNZCX-APIJFGDWSA-N 2 0 334.891 3.421 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330812 1384496149 /nfs/dbraw/zinc/49/61/49/1384496149.db2.gz VIOFDZFBLFRSQU-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001171366846 1384503491 /nfs/dbraw/zinc/50/34/91/1384503491.db2.gz FDRJGHCKKKTZHW-MJGOQNOKSA-N 2 0 333.520 3.037 20 0 EGADRP C[N@@H+]1CCCC[C@H]1c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])nc1 ZINC001171399241 1384512974 /nfs/dbraw/zinc/51/29/74/1384512974.db2.gz GTRVMHCWTQPIIL-IRXDYDNUSA-N 2 0 338.455 3.096 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001171509021 1384545726 /nfs/dbraw/zinc/54/57/26/1384545726.db2.gz LQBQHNGZCIKAHU-RHSMWYFYSA-N 2 0 339.549 3.161 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001171537424 1384555431 /nfs/dbraw/zinc/55/54/31/1384555431.db2.gz CEUCDYQAJYIZNZ-UYAOXDASSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171538188 1384556247 /nfs/dbraw/zinc/55/62/47/1384556247.db2.gz KRAZJIOCDYHGGM-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171539143 1384556487 /nfs/dbraw/zinc/55/64/87/1384556487.db2.gz QWKBMLLKRJLXNV-MJGOQNOKSA-N 2 0 335.536 3.236 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001171608246 1384578900 /nfs/dbraw/zinc/57/89/00/1384578900.db2.gz GECADRAQMBGUCV-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618652 1384581484 /nfs/dbraw/zinc/58/14/84/1384581484.db2.gz LUCHJNYKGSEYJQ-MRXNPFEDSA-N 2 0 325.541 3.312 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H]([C@H](N)C(F)(F)F)C2)CC1(C)C ZINC001171631103 1384586329 /nfs/dbraw/zinc/58/63/29/1384586329.db2.gz WEVCJMHQKFEPTO-OCCSQVGLSA-N 2 0 335.458 3.239 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@@]1(O)C(F)(F)F ZINC001171632072 1384586562 /nfs/dbraw/zinc/58/65/62/1384586562.db2.gz UUHMRTFFANWCBI-WBMJQRKESA-N 2 0 336.442 3.273 20 0 EGADRP Cc1ccc(CC[C@@H](C)[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001171679616 1384600419 /nfs/dbraw/zinc/60/04/19/1384600419.db2.gz LZCASCNGUJUEGO-HXUWFJFHSA-N 2 0 329.532 3.030 20 0 EGADRP C[C@H]1C[C@@H](n2c3ccccc3nc2CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171724928 1384613904 /nfs/dbraw/zinc/61/39/04/1384613904.db2.gz FHRLQGFVTOWNKW-FUHWJXTLSA-N 2 0 334.467 3.373 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171725941 1384614591 /nfs/dbraw/zinc/61/45/91/1384614591.db2.gz QDXQLWRVJXLSKS-GHTZIAJQSA-N 2 0 329.532 3.359 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001171731287 1384617100 /nfs/dbraw/zinc/61/71/00/1384617100.db2.gz ARYHPQOYKUUEHF-OAHLLOKOSA-N 2 0 339.911 3.229 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171782775 1384634283 /nfs/dbraw/zinc/63/42/83/1384634283.db2.gz FWSFCVPQHHPKHF-KRWDZBQOSA-N 2 0 328.431 3.023 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785974 1384636367 /nfs/dbraw/zinc/63/63/67/1384636367.db2.gz VJOIZKMHKICIHN-FHWLQOOXSA-N 2 0 339.458 3.460 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316878815 1384664091 /nfs/dbraw/zinc/66/40/91/1384664091.db2.gz JBESDAZIOUKFCG-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP [NH3+]CCCCCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877333 1384668684 /nfs/dbraw/zinc/66/86/84/1384668684.db2.gz NERMXARZJDGKAQ-IBGZPJMESA-N 2 0 331.504 3.180 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001171933155 1384687345 /nfs/dbraw/zinc/68/73/45/1384687345.db2.gz QAFQJYLBXQTTRY-ZTOOSOLZSA-N 2 0 336.520 3.161 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC001171933150 1384687407 /nfs/dbraw/zinc/68/74/07/1384687407.db2.gz QAFQJYLBXQTTRY-QLOLRVAOSA-N 2 0 336.520 3.161 20 0 EGADRP COC(=O)C1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171981117 1384701674 /nfs/dbraw/zinc/70/16/74/1384701674.db2.gz KNJCRVDEVCLURC-IBGZPJMESA-N 2 0 344.499 3.315 20 0 EGADRP Cc1c(CC[NH3+])c(=O)[nH]n1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984223 1384703427 /nfs/dbraw/zinc/70/34/27/1384703427.db2.gz TZDYKUXAXHHAHK-KRWDZBQOSA-N 2 0 342.487 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001316935652 1384707070 /nfs/dbraw/zinc/70/70/70/1384707070.db2.gz NKBTZIFRHYXGQR-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172064570 1384715105 /nfs/dbraw/zinc/71/51/05/1384715105.db2.gz COHTYDVQCZSXFF-NCYKPQTJSA-N 2 0 327.516 3.256 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001316943688 1384715570 /nfs/dbraw/zinc/71/55/70/1384715570.db2.gz JXKPVSFQLNFPRD-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[C@@](C)([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172066286 1384716743 /nfs/dbraw/zinc/71/67/43/1384716743.db2.gz UUSJJUWYYGJIJG-WERVVEIQSA-N 2 0 343.515 3.062 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316948491 1384721506 /nfs/dbraw/zinc/72/15/06/1384721506.db2.gz GJMMKXHPFJYTNS-OALUTQOASA-N 2 0 343.515 3.060 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1cccc3cccnc31)C2 ZINC001172105774 1384728294 /nfs/dbraw/zinc/72/82/94/1384728294.db2.gz KJXVTGUDEYGCFQ-BCDXTJNWSA-N 2 0 325.456 3.219 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001172112441 1384729569 /nfs/dbraw/zinc/72/95/69/1384729569.db2.gz WWSPDSCMKXGGLU-KOUNCHBCSA-N 2 0 341.543 3.298 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119047 1384732275 /nfs/dbraw/zinc/73/22/75/1384732275.db2.gz RSYAAWYYUSYUAA-MANSERQUSA-N 2 0 349.563 3.013 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cn1)C2 ZINC001172119384 1384733266 /nfs/dbraw/zinc/73/32/66/1384733266.db2.gz ZGFFXTWSZSLHBI-PHZGNYQRSA-N 2 0 327.394 3.248 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122740 1384734268 /nfs/dbraw/zinc/73/42/68/1384734268.db2.gz UAILMEHCEXHWRC-LTIDMASMSA-N 2 0 336.426 3.433 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172205744 1384748671 /nfs/dbraw/zinc/74/86/71/1384748671.db2.gz XRQMLGNPUFTGDB-SFHVURJKSA-N 2 0 342.508 3.434 20 0 EGADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)O4)CC3)co1 ZINC001172226551 1384751881 /nfs/dbraw/zinc/75/18/81/1384751881.db2.gz AAISWFVZJAMNKD-YQQQUEKLSA-N 2 0 330.472 3.278 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCc2ccc(OC(C)C)cc2)CC1 ZINC001172247873 1384755505 /nfs/dbraw/zinc/75/55/05/1384755505.db2.gz YXWJDICVCWJCKK-UHFFFAOYSA-N 2 0 334.504 3.107 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(Cc3ccccc3OC)CC2)CC1 ZINC001172248466 1384755847 /nfs/dbraw/zinc/75/58/47/1384755847.db2.gz JEUPBELOIZBCRX-UHFFFAOYSA-N 2 0 346.515 3.108 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001317005779 1384766657 /nfs/dbraw/zinc/76/66/57/1384766657.db2.gz NKWUMEVQOVNEDP-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C ZINC001172358215 1384777363 /nfs/dbraw/zinc/77/73/63/1384777363.db2.gz GLNBNBQQKCEPDA-DBXWQHBBSA-N 2 0 329.532 3.348 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001172609123 1384818628 /nfs/dbraw/zinc/81/86/28/1384818628.db2.gz FCQUVYRQHGVYJK-SCTDSRPQSA-N 2 0 334.504 3.129 20 0 EGADRP CCCC[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172622757 1384820916 /nfs/dbraw/zinc/82/09/16/1384820916.db2.gz NNSDQPRDUVIPOS-DLBZAZTESA-N 2 0 341.540 3.486 20 0 EGADRP CCCC[C@@H]1C[C@H]([N@H+](C)C[C@@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172638127 1384824450 /nfs/dbraw/zinc/82/44/50/1384824450.db2.gz UOPNPPGOAASJPQ-GVDBMIGSSA-N 2 0 341.540 3.471 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172758664 1384844767 /nfs/dbraw/zinc/84/47/67/1384844767.db2.gz JCHTXIJOKUHBMU-RLLQIKCJSA-N 2 0 344.499 3.171 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172808323 1384857077 /nfs/dbraw/zinc/85/70/77/1384857077.db2.gz NLEHBZSJMPZWGE-AYHJJNSGSA-N 2 0 349.519 3.014 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)CC2 ZINC001172825748 1384859689 /nfs/dbraw/zinc/85/96/89/1384859689.db2.gz IOQIWCQLOWYAFN-JOCHJYFZSA-N 2 0 349.522 3.394 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2 ZINC001172843509 1384864104 /nfs/dbraw/zinc/86/41/04/1384864104.db2.gz SRQUPHOPUMETIK-QZTJIDSGSA-N 2 0 347.503 3.032 20 0 EGADRP C[C@H](Cc1c(F)cccc1Cl)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172847891 1384865549 /nfs/dbraw/zinc/86/55/49/1384865549.db2.gz OFFZPRCZDFDOHV-MGPQQGTHSA-N 2 0 340.870 3.381 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001317145074 1384913346 /nfs/dbraw/zinc/91/33/46/1384913346.db2.gz WVDWIWAUKNUXBZ-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001173105015 1384915387 /nfs/dbraw/zinc/91/53/87/1384915387.db2.gz YNHFKMZWPGYMDV-NGCWXFERSA-N 2 0 341.543 3.359 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001173108277 1384916434 /nfs/dbraw/zinc/91/64/34/1384916434.db2.gz ACGRMZBBMLOSCK-GPANFISMSA-N 2 0 336.442 3.419 20 0 EGADRP CCc1noc([C@@H]2CCC[N@@H+](C3CCC([NH+](CC)CC)CC3)C2)n1 ZINC001173113351 1384917653 /nfs/dbraw/zinc/91/76/53/1384917653.db2.gz NNAZEDSXVVEBRG-KLAILNCOSA-N 2 0 334.508 3.464 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173126804 1384919287 /nfs/dbraw/zinc/91/92/87/1384919287.db2.gz REWDYYDMJWMLEC-BRWVUGGUSA-N 2 0 342.512 3.168 20 0 EGADRP COc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](CC(C)(C)C)CC1)CO2 ZINC001173150889 1384925377 /nfs/dbraw/zinc/92/53/77/1384925377.db2.gz POLACPLDJKRIPX-QGZVFWFLSA-N 2 0 346.515 3.346 20 0 EGADRP CC[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001173276556 1384948681 /nfs/dbraw/zinc/94/86/81/1384948681.db2.gz IWRUSIMZVUTQPZ-HKUYNNGSSA-N 2 0 330.520 3.429 20 0 EGADRP CC[N@@H+]1CC[C@H](N([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001173368700 1384965187 /nfs/dbraw/zinc/96/51/87/1384965187.db2.gz QQXMZVWAKJKQQX-JRGCBEDISA-N 2 0 327.516 3.238 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]Cc1cccc(C[NH+](C)C)c1)CC2 ZINC001173598171 1384984698 /nfs/dbraw/zinc/98/46/98/1384984698.db2.gz DAOUDRNJUUZSKP-OBXNSHGQSA-N 2 0 344.499 3.350 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([N@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173606511 1384986913 /nfs/dbraw/zinc/98/69/13/1384986913.db2.gz LJIHCCKAYNGRHC-JLNOLZKDSA-N 2 0 336.520 3.479 20 0 EGADRP FC(F)(F)CN1CCC([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001173669145 1385000677 /nfs/dbraw/zinc/00/06/77/1385000677.db2.gz KTJYVYWOKIIYIZ-MRXNPFEDSA-N 2 0 347.469 3.354 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[N@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173715332 1385007726 /nfs/dbraw/zinc/00/77/26/1385007726.db2.gz VCZKJAUGFBYYHU-ATZDWAIDSA-N 2 0 332.488 3.385 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001317280344 1385050644 /nfs/dbraw/zinc/05/06/44/1385050644.db2.gz QYAMZPALLLSKDK-JXFKEZNVSA-N 2 0 341.499 3.020 20 0 EGADRP c1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC001174394346 1385104872 /nfs/dbraw/zinc/10/48/72/1385104872.db2.gz GTYMSFFVSHWOMN-UHFFFAOYSA-N 2 0 331.423 3.469 20 0 EGADRP Cc1c[nH+]ccc1Nc1cccc(F)c1OCC1CC[NH+](C)CC1 ZINC001174538172 1385117725 /nfs/dbraw/zinc/11/77/25/1385117725.db2.gz DHEQJHFYCDPRST-UHFFFAOYSA-N 2 0 329.419 3.415 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649373 1385129889 /nfs/dbraw/zinc/12/98/89/1385129889.db2.gz DZQFOLUGLXBDEJ-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650631 1385130338 /nfs/dbraw/zinc/13/03/38/1385130338.db2.gz RYWGUINUNXBGFP-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001317469149 1385163445 /nfs/dbraw/zinc/16/34/45/1385163445.db2.gz AUXXUSVZELNFEM-KRWDZBQOSA-N 2 0 349.494 3.201 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001174929647 1385171291 /nfs/dbraw/zinc/17/12/91/1385171291.db2.gz RVWIOFRKOKYZLT-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174948385 1385173166 /nfs/dbraw/zinc/17/31/66/1385173166.db2.gz LKKUAMPUVSBAOU-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174961734 1385175224 /nfs/dbraw/zinc/17/52/24/1385175224.db2.gz NIIDHLOBHLDESL-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001175056910 1385187487 /nfs/dbraw/zinc/18/74/87/1385187487.db2.gz QPTPYDIWQVODPO-ROUUACIJSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1F)NC(=O)CC[NH+](C)C ZINC001175057256 1385187565 /nfs/dbraw/zinc/18/75/65/1385187565.db2.gz YEUZGEVIURYLJH-HZPDHXFCSA-N 2 0 337.483 3.103 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001175107725 1385195996 /nfs/dbraw/zinc/19/59/96/1385195996.db2.gz PDLXQVCZCUITRJ-UYAOXDASSA-N 2 0 347.547 3.346 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255831 1385231240 /nfs/dbraw/zinc/23/12/40/1385231240.db2.gz HKXAUGDWTAQQEN-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263727 1385234408 /nfs/dbraw/zinc/23/44/08/1385234408.db2.gz QUSQMLLKNVCKNY-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC001175316438 1385250056 /nfs/dbraw/zinc/25/00/56/1385250056.db2.gz JLCHPNRFQBWMOU-ICSRJNTNSA-N 2 0 347.547 3.408 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001317556081 1385325104 /nfs/dbraw/zinc/32/51/04/1385325104.db2.gz AWSHXNIPUSOQMK-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001317682719 1385392120 /nfs/dbraw/zinc/39/21/20/1385392120.db2.gz QTMGEBHONCQKOE-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)C(C)C ZINC001175747457 1385394731 /nfs/dbraw/zinc/39/47/31/1385394731.db2.gz PHVJBCBGGBLNEG-SJLPKXTDSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001175767385 1385398542 /nfs/dbraw/zinc/39/85/42/1385398542.db2.gz GARLDLJOAITCAS-LSSBLYJVSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001176023856 1385463929 /nfs/dbraw/zinc/46/39/29/1385463929.db2.gz KFRVMCPQVKXYJW-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176024498 1385464019 /nfs/dbraw/zinc/46/40/19/1385464019.db2.gz PBTAUCBBSGZBKU-CPPNXCSESA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001176057710 1385474019 /nfs/dbraw/zinc/47/40/19/1385474019.db2.gz RRTLWNULGOCEGD-AEFFLSMTSA-N 2 0 345.531 3.093 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001176111409 1385486958 /nfs/dbraw/zinc/48/69/58/1385486958.db2.gz HQSTXLOKLJCQTR-MSOLQXFVSA-N 2 0 325.541 3.314 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176166521 1385501109 /nfs/dbraw/zinc/50/11/09/1385501109.db2.gz RVWRMVLDPFZABT-QZTJIDSGSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001317809588 1385506771 /nfs/dbraw/zinc/50/67/71/1385506771.db2.gz QBWQFHPNGZTPHK-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267854 1385532491 /nfs/dbraw/zinc/53/24/91/1385532491.db2.gz GIQKNJRUJQQHSF-ZEVQVBBLSA-N 2 0 325.541 3.339 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176269762 1385533203 /nfs/dbraw/zinc/53/32/03/1385533203.db2.gz XVKSXZAYYGXFGK-LJQANCHMSA-N 2 0 347.547 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176286039 1385539918 /nfs/dbraw/zinc/53/99/18/1385539918.db2.gz SMFSYWIPPSZVSI-YLJYHZDGSA-N 2 0 345.531 3.280 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001176564848 1385626604 /nfs/dbraw/zinc/62/66/04/1385626604.db2.gz RXVPNTYBYPXQDK-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176738232 1385677505 /nfs/dbraw/zinc/67/75/05/1385677505.db2.gz PTWYRLVJQFMHKY-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754392 1385685107 /nfs/dbraw/zinc/68/51/07/1385685107.db2.gz UHUPXAHULWBDKG-GIFJBRJJSA-N 2 0 325.541 3.338 20 0 EGADRP C[C@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176816044 1385712637 /nfs/dbraw/zinc/71/26/37/1385712637.db2.gz WHSTVHRJYNDBQZ-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001176884300 1385730926 /nfs/dbraw/zinc/73/09/26/1385730926.db2.gz ATUUMYUOQUPXKV-IBGZPJMESA-N 2 0 345.531 3.336 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)c(C)c1C ZINC001176972369 1385759797 /nfs/dbraw/zinc/75/97/97/1385759797.db2.gz YHSZGXFCYJSZJG-UHFFFAOYSA-N 2 0 347.547 3.165 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001176987036 1385764302 /nfs/dbraw/zinc/76/43/02/1385764302.db2.gz ZZOCUEJIAGEYPE-QGZVFWFLSA-N 2 0 341.499 3.337 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001318867648 1385866024 /nfs/dbraw/zinc/86/60/24/1385866024.db2.gz ZNYXWGFRMGZBMZ-IYBDPMFKSA-N 2 0 327.472 3.265 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)CC[N@@H+]1C ZINC001177328687 1385916148 /nfs/dbraw/zinc/91/61/48/1385916148.db2.gz RJGIPFNSSKQWHB-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177331451 1385917532 /nfs/dbraw/zinc/91/75/32/1385917532.db2.gz JMFYVBLAPRTJMO-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001177339267 1385919100 /nfs/dbraw/zinc/91/91/00/1385919100.db2.gz ASFFORWHQGGGCX-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177348873 1385924051 /nfs/dbraw/zinc/92/40/51/1385924051.db2.gz PESWQZSLOGQWOL-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001177349109 1385924449 /nfs/dbraw/zinc/92/44/49/1385924449.db2.gz YIAYQQNQVAILPQ-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001319032102 1385937750 /nfs/dbraw/zinc/93/77/50/1385937750.db2.gz UXYGFZPNFAGVOE-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001177395011 1385942093 /nfs/dbraw/zinc/94/20/93/1385942093.db2.gz YGTUFUBWYLTCMU-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CCC[NH2+]CC[C@H](C)F)CC1CCCC1 ZINC001177456008 1385962738 /nfs/dbraw/zinc/96/27/38/1385962738.db2.gz LZRPDWMLDBPKIW-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177463006 1385965167 /nfs/dbraw/zinc/96/51/67/1385965167.db2.gz JWSFENMMKZFMJY-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001177463116 1385965791 /nfs/dbraw/zinc/96/57/91/1385965791.db2.gz OTEFYDUQTKUHHS-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177469126 1385968603 /nfs/dbraw/zinc/96/86/03/1385968603.db2.gz WIVGLFYJYPVSRR-UXBLZVDNSA-N 2 0 343.943 3.079 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001177484904 1385974285 /nfs/dbraw/zinc/97/42/85/1385974285.db2.gz MWVOIENTORMSRL-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319209188 1386006573 /nfs/dbraw/zinc/00/65/73/1386006573.db2.gz NJHHIOXIPNRNEY-YLJYHZDGSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1)c1ccccc1 ZINC001319368836 1386084800 /nfs/dbraw/zinc/08/48/00/1386084800.db2.gz JQUUCVUCCURJII-RTBURBONSA-N 2 0 343.515 3.251 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CCC3CCCC3)CCCC2)CC1 ZINC001319379228 1386092615 /nfs/dbraw/zinc/09/26/15/1386092615.db2.gz NKXCGHVDTUDLFS-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2F)CCCC1)[NH+](C)C ZINC001319385240 1386094865 /nfs/dbraw/zinc/09/48/65/1386094865.db2.gz IZEHBCXCLMDZMJ-YJBOKZPZSA-N 2 0 349.494 3.246 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)o1 ZINC001319394633 1386101580 /nfs/dbraw/zinc/10/15/80/1386101580.db2.gz SATSCRDILKRTGS-KRWDZBQOSA-N 2 0 341.499 3.440 20 0 EGADRP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC001178170836 1386148068 /nfs/dbraw/zinc/14/80/68/1386148068.db2.gz NFRJOZBHIZYXGL-WOJBJXKFSA-N 2 0 330.516 3.452 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178523417 1386241228 /nfs/dbraw/zinc/24/12/28/1386241228.db2.gz YREZGJREQCUHMZ-GUDVDZBRSA-N 2 0 339.568 3.275 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1CC1 ZINC001178698483 1386281566 /nfs/dbraw/zinc/28/15/66/1386281566.db2.gz IWKKGVKGBZSYCR-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001319827636 1386320999 /nfs/dbraw/zinc/32/09/99/1386320999.db2.gz RGRWGXRBENPXBQ-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178833068 1386322264 /nfs/dbraw/zinc/32/22/64/1386322264.db2.gz OUVHYWYIHQHQMA-OALUTQOASA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178920673 1386349466 /nfs/dbraw/zinc/34/94/66/1386349466.db2.gz DMMVUIZIMICRHE-ZWKOTPCHSA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179133818 1386407270 /nfs/dbraw/zinc/40/72/70/1386407270.db2.gz BGMKTXRCQMVFSS-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179239123 1386429258 /nfs/dbraw/zinc/42/92/58/1386429258.db2.gz RSBNVDCOSAIMKC-HKUYNNGSSA-N 2 0 347.547 3.330 20 0 EGADRP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320000895 1386445452 /nfs/dbraw/zinc/44/54/52/1386445452.db2.gz ZDGSGECAKQENDC-UHFFFAOYSA-N 2 0 339.568 3.467 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179392289 1386472989 /nfs/dbraw/zinc/47/29/89/1386472989.db2.gz BJIIIOCRQXAYDG-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001179402876 1386475907 /nfs/dbraw/zinc/47/59/07/1386475907.db2.gz FPCQREPONYFSGI-QRVBRYPASA-N 2 0 337.552 3.031 20 0 EGADRP Cc1c(C(=O)NCCC[N@@H+](C)C2CCCCC2)ccc2c[nH+]cn21 ZINC001320102644 1386513522 /nfs/dbraw/zinc/51/35/22/1386513522.db2.gz YIRHKKRCZVKAIA-UHFFFAOYSA-N 2 0 328.460 3.027 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179585459 1386524216 /nfs/dbraw/zinc/52/42/16/1386524216.db2.gz IFTAMWUGUFTUIY-ZWKOTPCHSA-N 2 0 339.568 3.277 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179591517 1386526961 /nfs/dbraw/zinc/52/69/61/1386526961.db2.gz VYRKFLIRVAACII-PKOBYXMFSA-N 2 0 349.563 3.031 20 0 EGADRP CCc1cccc(C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C)c1 ZINC001179608974 1386530485 /nfs/dbraw/zinc/53/04/85/1386530485.db2.gz AWMQCVOSRPFBEY-FQEVSTJZSA-N 2 0 347.547 3.355 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179746554 1386570719 /nfs/dbraw/zinc/57/07/19/1386570719.db2.gz WVQIUEIKLAMXGB-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCCCCC[NH2+]CCC2CC2)cc1 ZINC001179832291 1386599887 /nfs/dbraw/zinc/59/98/87/1386599887.db2.gz VJQITYRGNUOIGT-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179850859 1386607220 /nfs/dbraw/zinc/60/72/20/1386607220.db2.gz OLOBXWNRSBHUOB-CMDGGOBGSA-N 2 0 325.541 3.341 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1C ZINC001179850697 1386607459 /nfs/dbraw/zinc/60/74/59/1386607459.db2.gz KYBCKXUACODXAF-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001179850655 1386607804 /nfs/dbraw/zinc/60/78/04/1386607804.db2.gz JPXPSADBDDFRCE-CEXWTWQISA-N 2 0 337.552 3.031 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001179850666 1386607847 /nfs/dbraw/zinc/60/78/47/1386607847.db2.gz JUGUCTRIHGDVLE-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320510261 1386632986 /nfs/dbraw/zinc/63/29/86/1386632986.db2.gz UKRWKGWKZZHPTD-HXUWFJFHSA-N 2 0 345.531 3.220 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)c1cccc(-n2ccnc2)c1 ZINC001179977052 1386655805 /nfs/dbraw/zinc/65/58/05/1386655805.db2.gz FGXQKLJESRZCEZ-UHFFFAOYSA-N 2 0 328.460 3.161 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001179987173 1386658744 /nfs/dbraw/zinc/65/87/44/1386658744.db2.gz NIUSKZCQYAEPLZ-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180060597 1386683791 /nfs/dbraw/zinc/68/37/91/1386683791.db2.gz IWRHUBADDNMECH-IBGZPJMESA-N 2 0 345.531 3.103 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001180064919 1386685345 /nfs/dbraw/zinc/68/53/45/1386685345.db2.gz ABPWTDJYPZOCFO-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001180118141 1386702685 /nfs/dbraw/zinc/70/26/85/1386702685.db2.gz XWSMGUTWWAPTAK-UHFFFAOYSA-N 2 0 347.547 3.493 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001180120938 1386703206 /nfs/dbraw/zinc/70/32/06/1386703206.db2.gz CMWBOUJFMUHXIS-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001180123237 1386704165 /nfs/dbraw/zinc/70/41/65/1386704165.db2.gz CALXLAKAYCYPMV-QRVBRYPASA-N 2 0 337.552 3.031 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCCCCC[NH2+]CC2CC2)c1 ZINC001180357213 1386773021 /nfs/dbraw/zinc/77/30/21/1386773021.db2.gz PBDPJJSPQAHBTP-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCCCCC[NH2+]CCCCCF ZINC001180365721 1386775258 /nfs/dbraw/zinc/77/52/58/1386775258.db2.gz DMIKSCBCLUOOTG-UHFFFAOYSA-N 2 0 343.531 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCCCC[NH2+]C(C)C)o1 ZINC001180445431 1386798514 /nfs/dbraw/zinc/79/85/14/1386798514.db2.gz IYTHJJNXFGWJIE-UHFFFAOYSA-N 2 0 337.508 3.410 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)CC12CCC[NH+]1CCC2 ZINC001181111121 1386938689 /nfs/dbraw/zinc/93/86/89/1386938689.db2.gz XOYHBBGUKCAJFK-QGZVFWFLSA-N 2 0 327.472 3.140 20 0 EGADRP C[N@H+](CCC(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1)Cc1ccccc1 ZINC001181141801 1386945046 /nfs/dbraw/zinc/94/50/46/1386945046.db2.gz CISHHUUWAXOYQY-UHFFFAOYSA-N 2 0 345.531 3.276 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001321937151 1387013542 /nfs/dbraw/zinc/01/35/42/1387013542.db2.gz DPRRRCIZIFNOQX-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@]1(C)C[NH2+]CCCC1CCC1 ZINC001181736768 1387048160 /nfs/dbraw/zinc/04/81/60/1387048160.db2.gz VOOSAYYOTDTJDT-DYESRHJHSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001181793668 1387056118 /nfs/dbraw/zinc/05/61/18/1387056118.db2.gz YYRWGTZYDSQLJK-WBKVYKICSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001181941494 1387080263 /nfs/dbraw/zinc/08/02/63/1387080263.db2.gz JTMCLDMCWXQZLW-OXQOHEQNSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001181959048 1387082620 /nfs/dbraw/zinc/08/26/20/1387082620.db2.gz LVMXUFQDRVWESE-OXQOHEQNSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001322175320 1387088746 /nfs/dbraw/zinc/08/87/46/1387088746.db2.gz JQXJHYPXGKYCEI-KRWDZBQOSA-N 2 0 345.531 3.231 20 0 EGADRP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001182346726 1387153908 /nfs/dbraw/zinc/15/39/08/1387153908.db2.gz UVKLRDVUGOABHJ-YFVAEKQCSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182589543 1387192568 /nfs/dbraw/zinc/19/25/68/1387192568.db2.gz HUMVOOVPUSDNRM-HPFMTEOYSA-N 2 0 335.536 3.188 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC001336108569 1389015705 /nfs/dbraw/zinc/01/57/05/1389015705.db2.gz PFFWIWXDKOODFN-HNNXBMFYSA-N 2 0 344.528 3.050 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001329357760 1389073939 /nfs/dbraw/zinc/07/39/39/1389073939.db2.gz CDHQSYCRQSDNGS-GOSISDBHSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001698714014 1406356929 /nfs/dbraw/zinc/35/69/29/1406356929.db2.gz AHMSUGOYUOATHQ-FHWLQOOXSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336739985 1389151962 /nfs/dbraw/zinc/15/19/62/1389151962.db2.gz SAKGIMZOCAKHCY-CJNGLKHVSA-N 2 0 330.394 3.059 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336739987 1389152025 /nfs/dbraw/zinc/15/20/25/1389152025.db2.gz SAKGIMZOCAKHCY-XJKSGUPXSA-N 2 0 330.394 3.059 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001329570166 1389160087 /nfs/dbraw/zinc/16/00/87/1389160087.db2.gz CJEGAPPLKSPINQ-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1)[NH+](C)C ZINC001329938984 1389268072 /nfs/dbraw/zinc/26/80/72/1389268072.db2.gz SHYWDSLUIUYVJB-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccccc1C ZINC001329952497 1389272032 /nfs/dbraw/zinc/27/20/32/1389272032.db2.gz KOHGDFRQICJWOP-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CN3C[C@H](C4CCCCC4)CC3=O)C[C@@H]2C1 ZINC001337805528 1389448337 /nfs/dbraw/zinc/44/83/37/1389448337.db2.gz MSBAJRIZWDEHDS-IYWMVGAKSA-N 2 0 347.547 3.035 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001331291403 1389688409 /nfs/dbraw/zinc/68/84/09/1389688409.db2.gz WRYNXOZBKYEDNW-UZLBHIALSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001338464017 1389688941 /nfs/dbraw/zinc/68/89/41/1389688941.db2.gz YNBOMKQAHAOQTR-PELRDEGISA-N 2 0 330.516 3.395 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001338517850 1389699359 /nfs/dbraw/zinc/69/93/59/1389699359.db2.gz GMAIZFJHSTURQV-WIYYLYMNSA-N 2 0 326.484 3.065 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1CCCC(C)(C)C ZINC001332185859 1390029391 /nfs/dbraw/zinc/02/93/91/1390029391.db2.gz RMBQFRKFPVTTDW-QZTJIDSGSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ccc2C)[C@H]1C ZINC001332219373 1390050510 /nfs/dbraw/zinc/05/05/10/1390050510.db2.gz NUWTYXLKMWBMJK-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C)c(C)c1 ZINC001332838070 1390197446 /nfs/dbraw/zinc/19/74/46/1390197446.db2.gz OKCKDMDMTBOIMU-MOPGFXCFSA-N 2 0 345.531 3.018 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001332875069 1390206340 /nfs/dbraw/zinc/20/63/40/1390206340.db2.gz MFOBEBNMCAFUHN-SFHVURJKSA-N 2 0 339.568 3.275 20 0 EGADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCCCC1 ZINC001340880369 1390392930 /nfs/dbraw/zinc/39/29/30/1390392930.db2.gz MRYLCHQSSVCKMH-FQEVSTJZSA-N 2 0 349.563 3.445 20 0 EGADRP C[C@@H]1CCc2nc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)sc2C1 ZINC001333847446 1390421332 /nfs/dbraw/zinc/42/13/32/1390421332.db2.gz RBHAUFVLJLIJRJ-CQSZACIVSA-N 2 0 333.545 3.480 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C[C@@H]2C1 ZINC001333891394 1390431570 /nfs/dbraw/zinc/43/15/70/1390431570.db2.gz LRVURQFIGSUEFY-RCLSDMTESA-N 2 0 344.499 3.016 20 0 EGADRP C[C@@H](CC(=O)Nc1ccnc(N2CCCCC2)c1)C1CC[NH2+]CC1 ZINC001341497938 1390494692 /nfs/dbraw/zinc/49/46/92/1390494692.db2.gz SQOMKXRSXWGHQY-HNNXBMFYSA-N 2 0 330.476 3.036 20 0 EGADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001335346614 1390674598 /nfs/dbraw/zinc/67/45/98/1390674598.db2.gz ZFTXENFLCREXQF-UWJYYQICSA-N 2 0 330.516 3.395 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@H+]1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001335582544 1390705931 /nfs/dbraw/zinc/70/59/31/1390705931.db2.gz MAUAGWJFRZQCQX-IJEWVQPXSA-N 2 0 346.906 3.389 20 0 EGADRP O=C1Nc2ccccc2[C@@H]1C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC001349390448 1391326459 /nfs/dbraw/zinc/32/64/59/1391326459.db2.gz WHKBVJDYTFHKJH-FQEVSTJZSA-N 2 0 341.499 3.214 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](CC)c1ccccc1 ZINC001488686372 1391701943 /nfs/dbraw/zinc/70/19/43/1391701943.db2.gz QBYPRDHEHHEBOL-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)c1ccccc1C ZINC001488685515 1391702092 /nfs/dbraw/zinc/70/20/92/1391702092.db2.gz KTLAYRLNJNQNEE-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001488793098 1391723368 /nfs/dbraw/zinc/72/33/68/1391723368.db2.gz SZZLVYLMXZBQEM-KSZLIROESA-N 2 0 337.552 3.027 20 0 EGADRP Cn1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(C2CCCC2)n1 ZINC001352077400 1391755671 /nfs/dbraw/zinc/75/56/71/1391755671.db2.gz FDSJBRCXLQHLOC-UHFFFAOYSA-N 2 0 330.520 3.386 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1cc(Br)ccc1Br ZINC001352789966 1391849720 /nfs/dbraw/zinc/84/97/20/1391849720.db2.gz LYZPYNPBESSDJG-UHFFFAOYSA-N 2 0 336.071 3.040 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])CC(C)C)c1ccsc1 ZINC001353481219 1392020845 /nfs/dbraw/zinc/02/08/45/1392020845.db2.gz BTXDMSXDQAWIFB-HOTGVXAUSA-N 2 0 325.522 3.011 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001698858816 1406567936 /nfs/dbraw/zinc/56/79/36/1406567936.db2.gz FLZZEVRRLMATAT-IBGZPJMESA-N 2 0 345.531 3.198 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001479831165 1392417285 /nfs/dbraw/zinc/41/72/85/1392417285.db2.gz DDNICDQNIPRRGS-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC001479908681 1392476318 /nfs/dbraw/zinc/47/63/18/1392476318.db2.gz QFTNKOKRIPVEJZ-VLUHHTHFSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480084014 1392574032 /nfs/dbraw/zinc/57/40/32/1392574032.db2.gz FIMFVGSCFVOFNB-IBGZPJMESA-N 2 0 345.531 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001480143984 1392600295 /nfs/dbraw/zinc/60/02/95/1392600295.db2.gz SGQBVGHRMSCIFS-FHWLQOOXSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001480183244 1392614970 /nfs/dbraw/zinc/61/49/70/1392614970.db2.gz ZNOJQQORYPCYSP-NXEWRWPSSA-N 2 0 347.547 3.329 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001480263417 1392648028 /nfs/dbraw/zinc/64/80/28/1392648028.db2.gz OAANVIKKTXNIGV-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001480295273 1392663635 /nfs/dbraw/zinc/66/36/35/1392663635.db2.gz YZVZQUSDGNDTCC-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC001480320567 1392680695 /nfs/dbraw/zinc/68/06/95/1392680695.db2.gz ZTVIXDLRJOIQRI-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480615951 1392821590 /nfs/dbraw/zinc/82/15/90/1392821590.db2.gz QIWMXNHVVJEXCC-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001480709982 1392871845 /nfs/dbraw/zinc/87/18/45/1392871845.db2.gz UGOPXRFUDHPZJP-RTBURBONSA-N 2 0 349.494 3.015 20 0 EGADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001480813553 1392951252 /nfs/dbraw/zinc/95/12/52/1392951252.db2.gz IMLDGRLEOSLWJR-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001481117638 1393124192 /nfs/dbraw/zinc/12/41/92/1393124192.db2.gz BGVRZNNRYHFQII-GOSISDBHSA-N 2 0 345.531 3.090 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001481298739 1393160253 /nfs/dbraw/zinc/16/02/53/1393160253.db2.gz QFPCDKLXLBEQIP-HXUWFJFHSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481629709 1394425123 /nfs/dbraw/zinc/42/51/23/1394425123.db2.gz TVAHLGCWQKDDOW-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CCc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H](CC)[NH+](C)C)c1 ZINC001491230862 1394485979 /nfs/dbraw/zinc/48/59/79/1394485979.db2.gz QMNQBSOFLHBRKO-PMACEKPBSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001482035344 1394695995 /nfs/dbraw/zinc/69/59/95/1394695995.db2.gz XJKYVHYAYSFTNY-FXAWDEMLSA-N 2 0 345.531 3.026 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001482100344 1394747075 /nfs/dbraw/zinc/74/70/75/1394747075.db2.gz DDJSBIUMAARQOH-QUCCMNQESA-N 2 0 345.531 3.018 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001482339082 1394907323 /nfs/dbraw/zinc/90/73/23/1394907323.db2.gz NJAVHLJVBMIBDW-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001483934778 1395151186 /nfs/dbraw/zinc/15/11/86/1395151186.db2.gz SASUAOIJYXCXKU-RTBURBONSA-N 2 0 343.515 3.203 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001483938018 1395152474 /nfs/dbraw/zinc/15/24/74/1395152474.db2.gz OFTDHOOCDFZADG-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001484977060 1395616963 /nfs/dbraw/zinc/61/69/63/1395616963.db2.gz PNRMMYWQSQUUAV-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001485040443 1395647003 /nfs/dbraw/zinc/64/70/03/1395647003.db2.gz CAXGDYCZFDVIBW-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001485239104 1395732347 /nfs/dbraw/zinc/73/23/47/1395732347.db2.gz ZZJCMLPLCRHYCB-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485367668 1395845519 /nfs/dbraw/zinc/84/55/19/1395845519.db2.gz DHOWFWXXWWELGN-SFHVURJKSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1C[NH+](CCCC2CCCC2)C1 ZINC001485529172 1395998824 /nfs/dbraw/zinc/99/88/24/1395998824.db2.gz BOELSDXVSDKRAD-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001485815068 1396157724 /nfs/dbraw/zinc/15/77/24/1396157724.db2.gz GBDMRWQSFDQCLQ-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001505410633 1396294499 /nfs/dbraw/zinc/29/44/99/1396294499.db2.gz JIILQJAABIXBTA-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)c1cccc2ccccc21 ZINC001493678206 1396341525 /nfs/dbraw/zinc/34/15/25/1396341525.db2.gz XJCBANJIVVXJGR-KRWDZBQOSA-N 2 0 341.499 3.291 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001699008410 1406833672 /nfs/dbraw/zinc/83/36/72/1406833672.db2.gz IVOZULYAMQBNQA-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001690279273 1404443606 /nfs/dbraw/zinc/44/36/06/1404443606.db2.gz YZIYJHBTRNAJEJ-KBRIMQKVSA-N 2 0 349.906 3.122 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CCC1CC1 ZINC001690492738 1404606359 /nfs/dbraw/zinc/60/63/59/1404606359.db2.gz UJHNTZUPJCQGLZ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001690498427 1404610978 /nfs/dbraw/zinc/61/09/78/1404610978.db2.gz HZHLTHYEUXPQEW-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001690616514 1404654221 /nfs/dbraw/zinc/65/42/21/1404654221.db2.gz KHKRKNNFQMICHT-IAGOWNOFSA-N 2 0 345.531 3.307 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001690989603 1404906179 /nfs/dbraw/zinc/90/61/79/1404906179.db2.gz CJPNIVKTAQAUBY-YOEHRIQHSA-N 2 0 339.911 3.035 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)[C@H](C)c1ccccc1 ZINC001691043613 1404954715 /nfs/dbraw/zinc/95/47/15/1404954715.db2.gz SFKVPNQSXMVTCM-UYAOXDASSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001725749525 1426428256 /nfs/dbraw/zinc/42/82/56/1426428256.db2.gz PTKPSIFEBHROLB-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP CC[C@H]([NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001725783841 1426468783 /nfs/dbraw/zinc/46/87/83/1426468783.db2.gz LWUVACITSIGSAT-ACBHZAAOSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC001691558309 1405337965 /nfs/dbraw/zinc/33/79/65/1405337965.db2.gz HMFTXJYQIQGSMI-IRXDYDNUSA-N 2 0 339.911 3.179 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001692080621 1405763374 /nfs/dbraw/zinc/76/33/74/1405763374.db2.gz JUIYGZRFRLNXAH-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001731803296 1427970013 /nfs/dbraw/zinc/97/00/13/1427970013.db2.gz JVTONOWBKRKYOQ-VQTJNVASSA-N 2 0 345.531 3.449 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001692277198 1405909652 /nfs/dbraw/zinc/90/96/52/1405909652.db2.gz DHGBPYAJDMTEIS-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(C)cc1 ZINC001698597094 1406221318 /nfs/dbraw/zinc/22/13/18/1406221318.db2.gz OZMNBCLEBOXFQD-IBGZPJMESA-N 2 0 345.531 3.244 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1 ZINC001732405555 1428568870 /nfs/dbraw/zinc/56/88/70/1428568870.db2.gz PYOAQHSALVIWII-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001699380313 1412688720 /nfs/dbraw/zinc/68/87/20/1412688720.db2.gz INDNBHLJAIOPTB-QINHECLXSA-N 2 0 341.499 3.335 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001699473877 1412860849 /nfs/dbraw/zinc/86/08/49/1412860849.db2.gz DRSDJXQRYGLIEP-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001699474546 1412864840 /nfs/dbraw/zinc/86/48/40/1412864840.db2.gz QGBFXXOAKGAQBI-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699487940 1412884409 /nfs/dbraw/zinc/88/44/09/1412884409.db2.gz WMJHKYBHMSPMJE-UXHICEINSA-N 2 0 345.531 3.282 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001699648116 1413029703 /nfs/dbraw/zinc/02/97/03/1413029703.db2.gz WLBQSUPBMCHNSS-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001699683914 1413079557 /nfs/dbraw/zinc/07/95/57/1413079557.db2.gz UPYCVMUQJYGYSS-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001699689677 1413093957 /nfs/dbraw/zinc/09/39/57/1413093957.db2.gz SYRIGPVKJRNIKS-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001699853019 1413283040 /nfs/dbraw/zinc/28/30/40/1413283040.db2.gz GQTPCYITBJBIDR-JXFKEZNVSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001732550161 1428730603 /nfs/dbraw/zinc/73/06/03/1428730603.db2.gz HIRQWBVZCJAWFR-LJQANCHMSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001700190881 1413619233 /nfs/dbraw/zinc/61/92/33/1413619233.db2.gz LTCYFOCBUWYWHX-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CCC)C1 ZINC001700199113 1413641089 /nfs/dbraw/zinc/64/10/89/1413641089.db2.gz SYZHEWUKGUMODF-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001700359971 1413870921 /nfs/dbraw/zinc/87/09/21/1413870921.db2.gz YSNRHIMNVOIBHO-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1c(C(=O)NC[C@H](C)[N@H+](C)CC2CCCCC2)ccc2c[nH+]cn21 ZINC001700465457 1414071006 /nfs/dbraw/zinc/07/10/06/1414071006.db2.gz DZUVTBHAHVYKBH-HNNXBMFYSA-N 2 0 342.487 3.273 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)CCCC(C)(C)C ZINC001700473619 1414096686 /nfs/dbraw/zinc/09/66/86/1414096686.db2.gz GRQKUWSOMVLZDN-MRXNPFEDSA-N 2 0 327.557 3.227 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700527727 1414191717 /nfs/dbraw/zinc/19/17/17/1414191717.db2.gz ZEGIBUFROXVNGV-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001700644094 1414309828 /nfs/dbraw/zinc/30/98/28/1414309828.db2.gz QBORXNJIZSQVHM-YVWKXTFCSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001700781713 1414464676 /nfs/dbraw/zinc/46/46/76/1414464676.db2.gz ZGYQCQCBKSVEQJ-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001700878076 1414533618 /nfs/dbraw/zinc/53/36/18/1414533618.db2.gz GKAHXWMDNRPZAG-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001700889003 1414548403 /nfs/dbraw/zinc/54/84/03/1414548403.db2.gz SBXCLNOPEGEWHB-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001700903658 1414558794 /nfs/dbraw/zinc/55/87/94/1414558794.db2.gz IWXHWABYLJQVJX-MOPGFXCFSA-N 2 0 345.531 3.039 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001732985770 1429113179 /nfs/dbraw/zinc/11/31/79/1429113179.db2.gz UDGRVHKKRRKAKJ-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001732985769 1429113202 /nfs/dbraw/zinc/11/32/02/1429113202.db2.gz UDGRVHKKRRKAKJ-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH2+]C(C)C)ccc2c[nH+]cn21 ZINC001707133910 1417215909 /nfs/dbraw/zinc/21/59/09/1417215909.db2.gz MAUGJPYKBXDKPM-DNVCBOLYSA-N 2 0 342.487 3.272 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001733055195 1429197774 /nfs/dbraw/zinc/19/77/74/1429197774.db2.gz UITGOCOQVSUCTB-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001713269118 1417878079 /nfs/dbraw/zinc/87/80/79/1417878079.db2.gz VDVDAXLKIQJIOO-APWZRJJASA-N 2 0 349.494 3.198 20 0 EGADRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1ccccc1F ZINC001713419476 1418044084 /nfs/dbraw/zinc/04/40/84/1418044084.db2.gz BPBHGEACKVLTPD-IAGOWNOFSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CCC1CCCC1 ZINC001713494575 1418198818 /nfs/dbraw/zinc/19/88/18/1418198818.db2.gz ASQIKPZVRPIFSO-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H](CC)c1ccc(F)cc1 ZINC001713517135 1418254407 /nfs/dbraw/zinc/25/44/07/1418254407.db2.gz CZSGCYNOZRRJNH-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC001713623129 1418398029 /nfs/dbraw/zinc/39/80/29/1418398029.db2.gz SIBUCZHXBCYRHV-OXQOHEQNSA-N 2 0 339.483 3.043 20 0 EGADRP CCCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001713721929 1418496141 /nfs/dbraw/zinc/49/61/41/1418496141.db2.gz BDPDWNILOATFEB-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713737843 1418534969 /nfs/dbraw/zinc/53/49/69/1418534969.db2.gz NSQXDSJYBWXCQA-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001713791229 1418609006 /nfs/dbraw/zinc/60/90/06/1418609006.db2.gz SGTNQNRGRINOBQ-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)CCC1 ZINC001713869182 1418665975 /nfs/dbraw/zinc/66/59/75/1418665975.db2.gz XXSZMEZJRPKEST-SFHVURJKSA-N 2 0 349.563 3.172 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001714012023 1418790580 /nfs/dbraw/zinc/79/05/80/1418790580.db2.gz BDMDBVYCZDLZDH-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714036011 1418824371 /nfs/dbraw/zinc/82/43/71/1418824371.db2.gz PKXSWWGEACUGKR-ZWKOTPCHSA-N 2 0 343.515 3.060 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001714054581 1418853019 /nfs/dbraw/zinc/85/30/19/1418853019.db2.gz XUHMOUBMODQOAC-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)c1cccc(C)c1 ZINC001714088531 1418881419 /nfs/dbraw/zinc/88/14/19/1418881419.db2.gz LBPUJMNXHCKZSZ-MJGOQNOKSA-N 2 0 343.515 3.169 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CC2)CCCCC1 ZINC001714109137 1418910336 /nfs/dbraw/zinc/91/03/36/1418910336.db2.gz GKHZXUJIJYOUNM-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC001714150386 1418956652 /nfs/dbraw/zinc/95/66/52/1418956652.db2.gz CXXKGSAFRHEREU-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]CC1CCCCCC1 ZINC001714426909 1419161096 /nfs/dbraw/zinc/16/10/96/1419161096.db2.gz PDSAHMYXWBQFCN-QGZVFWFLSA-N 2 0 339.568 3.277 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001714500397 1419226330 /nfs/dbraw/zinc/22/63/30/1419226330.db2.gz NVSUWZSNNWXXKX-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001714513265 1419239885 /nfs/dbraw/zinc/23/98/85/1419239885.db2.gz AQKLMQBWKIZOMN-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC/C=C\c1ccccc1 ZINC001714572671 1419305844 /nfs/dbraw/zinc/30/58/44/1419305844.db2.gz QOFRGOQKORKFMO-HEFNWKINSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccc(F)cc1 ZINC001714584918 1419326439 /nfs/dbraw/zinc/32/64/39/1419326439.db2.gz SAASWIBNQRCIIH-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C/c1ccccc1)[NH+](C)C ZINC001714622569 1419390377 /nfs/dbraw/zinc/39/03/77/1419390377.db2.gz RCZOBWXRZVMODE-SUFKLLJCSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001714733095 1419487137 /nfs/dbraw/zinc/48/71/37/1419487137.db2.gz YHJYAEQEAPDCOR-QGZVFWFLSA-N 2 0 345.531 3.088 20 0 EGADRP Cc1c(C(=O)NC[C@@H]([NH2+]CC2CC2)c2ccccc2)ccc2c[nH+]cn21 ZINC001714846738 1419558948 /nfs/dbraw/zinc/55/89/48/1419558948.db2.gz LEIDXNIVZDJION-HXUWFJFHSA-N 2 0 348.450 3.113 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714913771 1419662744 /nfs/dbraw/zinc/66/27/44/1419662744.db2.gz WTLWHUSXMATUEA-SFHVURJKSA-N 2 0 345.531 3.260 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001715000831 1419731654 /nfs/dbraw/zinc/73/16/54/1419731654.db2.gz FTRPXMNXMXHCNL-GBESFXJTSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001715060999 1419799688 /nfs/dbraw/zinc/79/96/88/1419799688.db2.gz YOMAEMZAPWGQQW-GOSISDBHSA-N 2 0 349.494 3.075 20 0 EGADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715066832 1419803511 /nfs/dbraw/zinc/80/35/11/1419803511.db2.gz YFSVGRKISBWENW-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@](C)(C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001715122694 1419867765 /nfs/dbraw/zinc/86/77/65/1419867765.db2.gz ZKGSWUREKBVWMO-NRFANRHFSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH2+]CCC2=CCCCC2)CC1 ZINC001715212130 1419944501 /nfs/dbraw/zinc/94/45/01/1419944501.db2.gz VNGFEOLLFXTSDQ-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001715249795 1419975303 /nfs/dbraw/zinc/97/53/03/1419975303.db2.gz AXPYPLVIJZORDM-QUCCMNQESA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715317202 1420025974 /nfs/dbraw/zinc/02/59/74/1420025974.db2.gz TWUCWHVBELSIEP-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001715554202 1420248768 /nfs/dbraw/zinc/24/87/68/1420248768.db2.gz HDJHTTATZSFFSN-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CC[NH2+][C@H]1CCCc2ccc(F)cc21)NC(=O)CCC[NH+](C)C ZINC001715678842 1420291273 /nfs/dbraw/zinc/29/12/73/1420291273.db2.gz LBXFAXNYQQOBTM-KXBFYZLASA-N 2 0 349.494 3.029 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCCCC1 ZINC001715875097 1420378517 /nfs/dbraw/zinc/37/85/17/1420378517.db2.gz VLFFZFYTXRAIAP-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001716411197 1420641574 /nfs/dbraw/zinc/64/15/74/1420641574.db2.gz BINKDLYGALGOBC-CKEIUWERSA-N 2 0 339.911 3.082 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001716508847 1420740546 /nfs/dbraw/zinc/74/05/46/1420740546.db2.gz RCNMVDKKXKDMKS-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001717212556 1421186872 /nfs/dbraw/zinc/18/68/72/1421186872.db2.gz YKLOXOZKUOLDTC-MOPGFXCFSA-N 2 0 345.531 3.178 20 0 EGADRP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001717270394 1421226954 /nfs/dbraw/zinc/22/69/54/1421226954.db2.gz WDHQXBSTEOOMPM-MRXNPFEDSA-N 2 0 343.515 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC001733296007 1429477824 /nfs/dbraw/zinc/47/78/24/1429477824.db2.gz CHQJEENJDXRLRI-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C[C@H]1C ZINC001733335398 1429520443 /nfs/dbraw/zinc/52/04/43/1429520443.db2.gz IWKGHLQXKWPFAR-POQYLXETSA-N 2 0 343.515 3.011 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001733413455 1429615534 /nfs/dbraw/zinc/61/55/34/1429615534.db2.gz RWDWJXOGNKDOQH-OAQYLSRUSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001723875182 1424595074 /nfs/dbraw/zinc/59/50/74/1424595074.db2.gz LKOSBFBOOYERBG-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001723950139 1424610345 /nfs/dbraw/zinc/61/03/45/1424610345.db2.gz VCZYQEOFENAIIW-ZMBJWTFHSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724339478 1424831497 /nfs/dbraw/zinc/83/14/97/1424831497.db2.gz CEBHZWDWZJMMDK-OAQYLSRUSA-N 2 0 345.531 3.380 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001725003068 1425412828 /nfs/dbraw/zinc/41/28/28/1425412828.db2.gz NFORVTMBAWZDEI-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725030926 1425450362 /nfs/dbraw/zinc/45/03/62/1425450362.db2.gz NXMSSBNPBYHDGJ-LSLCWXNRSA-N 2 0 335.536 3.188 20 0 EGADRP Cc1c(C(=O)NC[C@@H](C)[N@H+](C)CCC2CCCC2)ccc2c[nH+]cn21 ZINC001725170304 1425677404 /nfs/dbraw/zinc/67/74/04/1425677404.db2.gz DOZXVFCGGDFYSR-OAHLLOKOSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001725422807 1426076073 /nfs/dbraw/zinc/07/60/73/1426076073.db2.gz BSSQTMHVLVRICW-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1F ZINC001725482568 1426158233 /nfs/dbraw/zinc/15/82/33/1426158233.db2.gz PNYSNINTDCKYFM-INIZCTEOSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731457193 1427433529 /nfs/dbraw/zinc/43/35/29/1427433529.db2.gz KXQBTAZPXDRRMX-RDGPPVDQSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001731811946 1427996510 /nfs/dbraw/zinc/99/65/10/1427996510.db2.gz ZFJVHPOASPFLCD-LPHOPBHVSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)(C)CCC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001733581347 1429784791 /nfs/dbraw/zinc/78/47/91/1429784791.db2.gz VMXAXRBVEALUEQ-KDURUIRLSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001733901188 1437718878 /nfs/dbraw/zinc/71/88/78/1437718878.db2.gz MZGWXNGBXQFLQO-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H](CCNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1CCCC1 ZINC001733905099 1437723478 /nfs/dbraw/zinc/72/34/78/1437723478.db2.gz GQLDCZHYNKOZSX-AWEZNQCLSA-N 2 0 337.533 3.098 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060090 1437853566 /nfs/dbraw/zinc/85/35/66/1437853566.db2.gz SMLMHADJXUFSMH-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001734271137 1438000587 /nfs/dbraw/zinc/00/05/87/1438000587.db2.gz DNEXKOGUGOZOGY-QGZVFWFLSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001734357658 1438074789 /nfs/dbraw/zinc/07/47/89/1438074789.db2.gz SNBQBTHMTJUCLB-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001751978981 1440130366 /nfs/dbraw/zinc/13/03/66/1440130366.db2.gz JUAXXPFWJYCIMH-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001751989451 1440131419 /nfs/dbraw/zinc/13/14/19/1440131419.db2.gz NQARXZDJAFATFU-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCCC1CCCC1 ZINC001751997498 1440131624 /nfs/dbraw/zinc/13/16/24/1440131624.db2.gz JNKDEZSBWIXNOE-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCCC(C)(C)C ZINC001752077398 1440138805 /nfs/dbraw/zinc/13/88/05/1440138805.db2.gz XELDKDBESOQKNG-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752121971 1440142571 /nfs/dbraw/zinc/14/25/71/1440142571.db2.gz PGEQQPUWLZHQFI-KRWDZBQOSA-N 2 0 349.494 3.201 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001752154275 1440146671 /nfs/dbraw/zinc/14/66/71/1440146671.db2.gz CHBWMFHOKISVOM-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)CC1CC(C)C1 ZINC001752193390 1440152843 /nfs/dbraw/zinc/15/28/43/1440152843.db2.gz QFWQZQIRLZHERU-UHFFFAOYSA-N 2 0 342.487 3.131 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001752293368 1440166422 /nfs/dbraw/zinc/16/64/22/1440166422.db2.gz JPGPQCJGHMSEPG-AZUAARDMSA-N 2 0 343.515 3.060 20 0 EGADRP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001752301971 1440167758 /nfs/dbraw/zinc/16/77/58/1440167758.db2.gz WAOHCUKOSYZJRK-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)C1 ZINC001752308988 1440169214 /nfs/dbraw/zinc/16/92/14/1440169214.db2.gz VRXBYBFSNXSQRV-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001752423212 1440176193 /nfs/dbraw/zinc/17/61/93/1440176193.db2.gz GULJCJSFQULNMT-QWNKOJSDSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001752518593 1440191720 /nfs/dbraw/zinc/19/17/20/1440191720.db2.gz WCHLPDGRUUHBSN-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001752517992 1440191804 /nfs/dbraw/zinc/19/18/04/1440191804.db2.gz LCSCKGGUVRIWDW-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001752639109 1440197529 /nfs/dbraw/zinc/19/75/29/1440197529.db2.gz HRQDWKCHUZDNDR-IYARVYRRSA-N 2 0 347.547 3.377 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001752813168 1440216973 /nfs/dbraw/zinc/21/69/73/1440216973.db2.gz XUXUNCAJFXBSAA-QUCCMNQESA-N 2 0 343.515 3.062 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001752828045 1440224384 /nfs/dbraw/zinc/22/43/84/1440224384.db2.gz XYPSOOZCHUYIOG-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752836789 1440228177 /nfs/dbraw/zinc/22/81/77/1440228177.db2.gz PVDHZKDYKQIPKY-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752842010 1440231185 /nfs/dbraw/zinc/23/11/85/1440231185.db2.gz UGXLLOCVWOMJGX-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001752954634 1440252519 /nfs/dbraw/zinc/25/25/19/1440252519.db2.gz VDXYCFYQDLENMR-ZMBJWTFHSA-N 2 0 343.515 3.156 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001752997316 1440262699 /nfs/dbraw/zinc/26/26/99/1440262699.db2.gz OLDMDVNBNDMXPM-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP Cc1cccc([C@@H](C)[NH+](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001752999441 1440263668 /nfs/dbraw/zinc/26/36/68/1440263668.db2.gz ADMHXPQMVNTNED-UYAOXDASSA-N 2 0 345.531 3.319 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001753007565 1440266171 /nfs/dbraw/zinc/26/61/71/1440266171.db2.gz SVJBVSGXSPINRB-SFHVURJKSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001753020307 1440269763 /nfs/dbraw/zinc/26/97/63/1440269763.db2.gz JHTCNRNLCPGONE-SJORKVTESA-N 2 0 345.531 3.061 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001753027308 1440271749 /nfs/dbraw/zinc/27/17/49/1440271749.db2.gz IEGZPPQXYFJOOL-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1 ZINC001753159627 1440332855 /nfs/dbraw/zinc/33/28/55/1440332855.db2.gz VSDSGSMGLJHMKC-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001753160814 1440333783 /nfs/dbraw/zinc/33/37/83/1440333783.db2.gz BWKZEOONNJXJPV-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[N@@H+](CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C2CC2)cs1 ZINC001753165167 1440335630 /nfs/dbraw/zinc/33/56/30/1440335630.db2.gz PJPPNEPURQHRNR-GJZGRUSLSA-N 2 0 349.544 3.010 20 0 EGADRP CN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753222727 1440340309 /nfs/dbraw/zinc/34/03/09/1440340309.db2.gz KZRZNWSBFIJOAH-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001753282959 1440347952 /nfs/dbraw/zinc/34/79/52/1440347952.db2.gz KGOZNUHISASCBJ-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753359873 1440382096 /nfs/dbraw/zinc/38/20/96/1440382096.db2.gz MVNCQUVYYUWCIK-XOUUWWQPSA-N 2 0 349.563 3.243 20 0 EGADRP C[N@H+](CCC(=O)NCC1C[NH+](CCC(C)(C)C)C1)C1CCCCC1 ZINC001753406611 1440392103 /nfs/dbraw/zinc/39/21/03/1440392103.db2.gz CIYHGOOWFMMMMT-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001753418292 1440394741 /nfs/dbraw/zinc/39/47/41/1440394741.db2.gz YCGCURVZUPUPNH-QGZVFWFLSA-N 2 0 343.515 3.015 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001753418208 1440394849 /nfs/dbraw/zinc/39/48/49/1440394849.db2.gz VWVFURKXSZGSMY-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc2ccc(C)cc2)C1 ZINC001753485433 1440417603 /nfs/dbraw/zinc/41/76/03/1440417603.db2.gz XSTMSCSWBBXGLQ-PMACEKPBSA-N 2 0 345.531 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]1(C[NH2+]CC2CCCC2)CCCC[C@H]1C ZINC001753534908 1440432298 /nfs/dbraw/zinc/43/22/98/1440432298.db2.gz ABYARSJFYCWBJJ-XLIONFOSSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001753587358 1440441665 /nfs/dbraw/zinc/44/16/65/1440441665.db2.gz SVXZOIIIOGWOEI-RDGPPVDQSA-N 2 0 337.552 3.027 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2CC[NH+](CC3=CCCCC3)CC2)CCC1 ZINC001753594757 1440444243 /nfs/dbraw/zinc/44/42/43/1440444243.db2.gz JXZLWPVFTKMSAF-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753708834 1440470071 /nfs/dbraw/zinc/47/00/71/1440470071.db2.gz MNOJQAKURJQJSY-SCTDSRPQSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]CCC2CC2)C2CCCCC2)CC1 ZINC001753748173 1440481733 /nfs/dbraw/zinc/48/17/33/1440481733.db2.gz IWLACLUOCSXHKV-HXUWFJFHSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001753755930 1440483123 /nfs/dbraw/zinc/48/31/23/1440483123.db2.gz XVBBTIGPXBXTIR-OXUXSNCKSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCC2CCCC2)C1 ZINC001753788403 1440488535 /nfs/dbraw/zinc/48/85/35/1440488535.db2.gz NWXVYKLTZZFJTQ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001753829963 1440499348 /nfs/dbraw/zinc/49/93/48/1440499348.db2.gz DYODAXLYXSJWKK-ROUUACIJSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001753830351 1440499506 /nfs/dbraw/zinc/49/95/06/1440499506.db2.gz VCERZFVZPZGYKL-UXHICEINSA-N 2 0 345.531 3.098 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC001753831669 1440499848 /nfs/dbraw/zinc/49/98/48/1440499848.db2.gz YJNZIJOZWXPWMZ-UXHICEINSA-N 2 0 345.531 3.100 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001753862698 1440512537 /nfs/dbraw/zinc/51/25/37/1440512537.db2.gz QSNKZONHQIOTKB-GOSISDBHSA-N 2 0 345.531 3.096 20 0 EGADRP C[C@H](C(=O)N(C)CC[N@H+](C)CCCC1CCC1)[NH+]1CCCCCC1 ZINC001753864766 1440513803 /nfs/dbraw/zinc/51/38/03/1440513803.db2.gz VPXUGDMJMRNFSR-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](CC[NH2+]CCC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753965703 1440526528 /nfs/dbraw/zinc/52/65/28/1440526528.db2.gz GTSJWBVHIWCZGN-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001753971156 1440527112 /nfs/dbraw/zinc/52/71/12/1440527112.db2.gz SLPYZUJIJGTPJF-ZWKOTPCHSA-N 2 0 345.531 3.333 20 0 EGADRP C[C@H](CC[NH2+]CCC1CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754019732 1440532334 /nfs/dbraw/zinc/53/23/34/1440532334.db2.gz MUGUSDQXOHUANC-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001754139857 1440544204 /nfs/dbraw/zinc/54/42/04/1440544204.db2.gz JHUOIXUDYRQOIK-DPGPQQRUSA-N 2 0 349.563 3.195 20 0 EGADRP CC[C@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001754205707 1440550625 /nfs/dbraw/zinc/55/06/25/1440550625.db2.gz AJXDJXASLYNWNE-JXCVUKRWSA-N 2 0 349.906 3.149 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001754270637 1440561425 /nfs/dbraw/zinc/56/14/25/1440561425.db2.gz JRTPQVBOVQBHJV-RBUKOAKNSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001754324245 1440579644 /nfs/dbraw/zinc/57/96/44/1440579644.db2.gz QWTPASSPPIHROV-MJGOQNOKSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CCC[NH+]1CCCCC1 ZINC001754332947 1440585068 /nfs/dbraw/zinc/58/50/68/1440585068.db2.gz IYEPUEPCEJXDGQ-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754337535 1440587165 /nfs/dbraw/zinc/58/71/65/1440587165.db2.gz VYUGONBCXATWHH-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001754347032 1440590009 /nfs/dbraw/zinc/59/00/09/1440590009.db2.gz VECDPVNQLYRFDV-FPXQDXNASA-N 2 0 347.547 3.236 20 0 EGADRP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001754380598 1440593349 /nfs/dbraw/zinc/59/33/49/1440593349.db2.gz XUEWZPHFOKVSCJ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001754542282 1440626369 /nfs/dbraw/zinc/62/63/69/1440626369.db2.gz LMKHNEZNMMOVID-UEIMZRGPSA-N 2 0 347.547 3.281 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC001754570417 1440636915 /nfs/dbraw/zinc/63/69/15/1440636915.db2.gz WACSAMACEFEIJR-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001754586764 1440639997 /nfs/dbraw/zinc/63/99/97/1440639997.db2.gz ZCQNDPPEACGDFO-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001754628568 1440647012 /nfs/dbraw/zinc/64/70/12/1440647012.db2.gz YCWONAPTLUQXNS-XSAZBNQGSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001754682204 1440663094 /nfs/dbraw/zinc/66/30/94/1440663094.db2.gz AGFBJKFRIIBJQQ-OAQYLSRUSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001754682203 1440663265 /nfs/dbraw/zinc/66/32/65/1440663265.db2.gz AGFBJKFRIIBJQQ-NRFANRHFSA-N 2 0 345.531 3.034 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001754720586 1440673075 /nfs/dbraw/zinc/67/30/75/1440673075.db2.gz QYOVIYWVFVRZOS-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001754721653 1440673433 /nfs/dbraw/zinc/67/34/33/1440673433.db2.gz WGNABEXATLYHLO-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001754727848 1440677340 /nfs/dbraw/zinc/67/73/40/1440677340.db2.gz OOFQMDAJZZOCEL-HFYBBEMZSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001754729641 1440678380 /nfs/dbraw/zinc/67/83/80/1440678380.db2.gz OFLNREOEZYWHLA-NRFANRHFSA-N 2 0 347.547 3.047 20 0 EGADRP CCc1ccccc1[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C(C)C ZINC001754789262 1440688426 /nfs/dbraw/zinc/68/84/26/1440688426.db2.gz KLCHFOKWBQIYET-IBGZPJMESA-N 2 0 347.547 3.382 20 0 EGADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001754835661 1440696755 /nfs/dbraw/zinc/69/67/55/1440696755.db2.gz KYARQTSIJUXFHD-MXVIHJGJSA-N 2 0 349.563 3.175 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001754869843 1440704597 /nfs/dbraw/zinc/70/45/97/1440704597.db2.gz QPTQOXQBRKWDGD-CEXWTWQISA-N 2 0 337.552 3.362 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC=C(C)C)C[C@H]21 ZINC001754873710 1440706098 /nfs/dbraw/zinc/70/60/98/1440706098.db2.gz UDDSXRHBRCNRCB-VQTJNVASSA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001754919112 1440709071 /nfs/dbraw/zinc/70/90/71/1440709071.db2.gz MHUSJRGKMDNEQZ-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001754945017 1440712456 /nfs/dbraw/zinc/71/24/56/1440712456.db2.gz PKQLTRDHPLGWQZ-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755034434 1440733655 /nfs/dbraw/zinc/73/36/55/1440733655.db2.gz RAKWKKLTVWCDDJ-MOPGFXCFSA-N 2 0 345.531 3.367 20 0 EGADRP CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001755073371 1440747520 /nfs/dbraw/zinc/74/75/20/1440747520.db2.gz RHUMZGUBGFJHLT-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001755101368 1440752638 /nfs/dbraw/zinc/75/26/38/1440752638.db2.gz AXAMRIWCTDUDJT-UHFFFAOYSA-N 2 0 343.515 3.006 20 0 EGADRP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001755128228 1440756584 /nfs/dbraw/zinc/75/65/84/1440756584.db2.gz XLKVFUKIJUTANO-MZIIKBMYSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[NH+](CC2CC2)CC1(C)C)C1CCCCC1 ZINC001755142231 1440761036 /nfs/dbraw/zinc/76/10/36/1440761036.db2.gz UYEJKDUBHDFCAK-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001755170500 1440768477 /nfs/dbraw/zinc/76/84/77/1440768477.db2.gz FBLWVJCXANRRJU-LNLFQRSKSA-N 2 0 331.504 3.025 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001755204591 1440781827 /nfs/dbraw/zinc/78/18/27/1440781827.db2.gz LRPOBZWDTYZWFC-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC/C=C\CC[NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001755213659 1440783741 /nfs/dbraw/zinc/78/37/41/1440783741.db2.gz OSNWIZFFQHZWDG-PLNGDYQASA-N 2 0 340.471 3.097 20 0 EGADRP O=C(NC1CC(C[NH2+]CCC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755216092 1440784057 /nfs/dbraw/zinc/78/40/57/1440784057.db2.gz MXZAKNNNEFDZNR-QLOJAFMTSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001755262051 1440794821 /nfs/dbraw/zinc/79/48/21/1440794821.db2.gz IRSUGRHTHMJIHW-ZWKOTPCHSA-N 2 0 345.531 3.098 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001755278643 1440799860 /nfs/dbraw/zinc/79/98/60/1440799860.db2.gz LQAWXKSJGKIJMX-LMDPOFIKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH2+]C2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001755278817 1440800072 /nfs/dbraw/zinc/80/00/72/1440800072.db2.gz SAVPYXYGBGCWLK-UHFFFAOYSA-N 2 0 345.531 3.194 20 0 EGADRP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001755281631 1440800823 /nfs/dbraw/zinc/80/08/23/1440800823.db2.gz PMPXLXGWKUNAQK-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001755313215 1440814276 /nfs/dbraw/zinc/81/42/76/1440814276.db2.gz KNIJQJJEYZLLSI-DLBZAZTESA-N 2 0 347.547 3.433 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001755363370 1440833028 /nfs/dbraw/zinc/83/30/28/1440833028.db2.gz IILVHVPECRVHNR-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CCC(C)(C)C)C1 ZINC001755367380 1440835365 /nfs/dbraw/zinc/83/53/65/1440835365.db2.gz GPUIHOFDBPXQEE-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755389392 1440841618 /nfs/dbraw/zinc/84/16/18/1440841618.db2.gz VSQYVYCHNGDDJI-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755414019 1440847939 /nfs/dbraw/zinc/84/79/39/1440847939.db2.gz NYCCXIOFFPABDX-QZTJIDSGSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001755475586 1440859364 /nfs/dbraw/zinc/85/93/64/1440859364.db2.gz FRQPZEQRHSGJSP-WGSAOQKQSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H](CCC[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001755521124 1440865029 /nfs/dbraw/zinc/86/50/29/1440865029.db2.gz WWQMUEDUXBIRSR-SFHVURJKSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2=CCCCC2)CC1 ZINC001755523205 1440865220 /nfs/dbraw/zinc/86/52/20/1440865220.db2.gz PKOGBQZXAHQACS-GOSISDBHSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2cccc(CC)c2)CC1 ZINC001755535515 1440869250 /nfs/dbraw/zinc/86/92/50/1440869250.db2.gz KRZFIYADSASQOT-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001755573926 1440877579 /nfs/dbraw/zinc/87/75/79/1440877579.db2.gz VMVGGTIRDUFSQP-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001755591249 1440881663 /nfs/dbraw/zinc/88/16/63/1440881663.db2.gz WMKAIQKLQPKDIJ-CRAIPNDOSA-N 2 0 349.544 3.092 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001755593288 1440882010 /nfs/dbraw/zinc/88/20/10/1440882010.db2.gz VALMOIKUZAURHS-ZWKOTPCHSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@H]1C ZINC001755663679 1440893164 /nfs/dbraw/zinc/89/31/64/1440893164.db2.gz NIUSKZCQYAEPLZ-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001755667462 1440893601 /nfs/dbraw/zinc/89/36/01/1440893601.db2.gz VBKSCTIRISKBRA-SJLPKXTDSA-N 2 0 349.544 3.093 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001755692308 1440897036 /nfs/dbraw/zinc/89/70/36/1440897036.db2.gz JKKBPEHORVVTCU-OALUTQOASA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001755704925 1440902211 /nfs/dbraw/zinc/90/22/11/1440902211.db2.gz RWMDPECDRFDBNY-QUCCMNQESA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755706470 1440902709 /nfs/dbraw/zinc/90/27/09/1440902709.db2.gz ACOZSGKLYPCOAC-ZCNNSNEGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001755707864 1440902989 /nfs/dbraw/zinc/90/29/89/1440902989.db2.gz JSDPTBIZVKBDBR-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001755735958 1440910952 /nfs/dbraw/zinc/91/09/52/1440910952.db2.gz PLEHFHMPFKDWEH-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001755746346 1440912485 /nfs/dbraw/zinc/91/24/85/1440912485.db2.gz HDXBSFPYAVOCQQ-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001755869411 1440938796 /nfs/dbraw/zinc/93/87/96/1440938796.db2.gz FTLKEUGQONPGBK-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755890340 1440941414 /nfs/dbraw/zinc/94/14/14/1440941414.db2.gz DRWNRZLNWRXAGF-GOSISDBHSA-N 2 0 349.563 3.293 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c(F)c1 ZINC001755902688 1440944283 /nfs/dbraw/zinc/94/42/83/1440944283.db2.gz MEXNCZJXIWTNBQ-IBGZPJMESA-N 2 0 349.494 3.062 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)nc1 ZINC001164619557 719124783 /nfs/dbraw/zinc/12/47/83/719124783.db2.gz FERNKCYRKSYTNA-KZNAEPCWSA-N 2 0 346.494 3.142 20 0 EGADRP Cc1[nH+]c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc2[nH]ccc21 ZINC001164727629 720423685 /nfs/dbraw/zinc/42/36/85/720423685.db2.gz DTHZDVMKXBQQKD-OALUTQOASA-N 2 0 333.439 3.120 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)CC2CC[NH+](C)CC2)nc1 ZINC001165045129 721938822 /nfs/dbraw/zinc/93/88/22/721938822.db2.gz URNGTOVYOQDKKV-LJQANCHMSA-N 2 0 330.520 3.407 20 0 EGADRP Cc1noc(C2CCC([NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)CC2)n1 ZINC000368187044 168321399 /nfs/dbraw/zinc/32/13/99/168321399.db2.gz VPQQMSMHSITOLX-WWDZGPRUSA-N 2 0 334.508 3.362 20 0 EGADRP C[C@H](c1cccc(F)c1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368329281 168343214 /nfs/dbraw/zinc/34/32/14/168343214.db2.gz CMGONXMNQXVUIA-QGZVFWFLSA-N 2 0 333.495 3.236 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054241508 214225598 /nfs/dbraw/zinc/22/55/98/214225598.db2.gz AXQFBSJPAQKLSM-DZGCQCFKSA-N 2 0 325.294 3.312 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347141291 282239695 /nfs/dbraw/zinc/23/96/95/282239695.db2.gz WEFBDNZJBLNQAK-HIFRSBDPSA-N 2 0 332.879 3.393 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000375621406 282256422 /nfs/dbraw/zinc/25/64/22/282256422.db2.gz SHKLPNYMVRSECS-LPHOPBHVSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187967937 530053811 /nfs/dbraw/zinc/05/38/11/530053811.db2.gz TWCIINJSQODBBT-NHCUHLMSSA-N 2 0 329.532 3.114 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCS2 ZINC000187168235 236135854 /nfs/dbraw/zinc/13/58/54/236135854.db2.gz DLCPSJPYPODOSB-IBGZPJMESA-N 2 0 347.572 3.458 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091311208 299290377 /nfs/dbraw/zinc/29/03/77/299290377.db2.gz VVPRFWDZPDGOTM-BBWFWOEESA-N 2 0 344.503 3.113 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000236875129 201147168 /nfs/dbraw/zinc/14/71/68/201147168.db2.gz HOIHJNZCTWWRGU-ZNBHLAFESA-N 2 0 343.515 3.106 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)c1 ZINC000261694409 201197203 /nfs/dbraw/zinc/19/72/03/201197203.db2.gz OBCKMWRAQBYTFU-IBGZPJMESA-N 2 0 325.456 3.475 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279956 201249001 /nfs/dbraw/zinc/24/90/01/201249001.db2.gz CWEYKJRBNRDVHR-KCLUMXDGSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272665215 201251990 /nfs/dbraw/zinc/25/19/90/201251990.db2.gz SDAZVAITEQODCP-RAUXBKROSA-N 2 0 327.516 3.112 20 0 EGADRP FC(F)Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000293074975 201342558 /nfs/dbraw/zinc/34/25/58/201342558.db2.gz UNKCKVSLQOCZPX-UHFFFAOYSA-N 2 0 348.441 3.150 20 0 EGADRP Cc1ncsc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000295100726 201347762 /nfs/dbraw/zinc/34/77/62/201347762.db2.gz UVQONKIDTDXUCE-UHFFFAOYSA-N 2 0 329.513 3.291 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000236624788 242298783 /nfs/dbraw/zinc/29/87/83/242298783.db2.gz QDTYMZLCCPQTKQ-AZUAARDMSA-N 2 0 343.515 3.047 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000263263081 291405099 /nfs/dbraw/zinc/40/50/99/291405099.db2.gz RFJIERBXDDWBAD-NSHGMRRFSA-N 2 0 335.536 3.009 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072858422 203249588 /nfs/dbraw/zinc/24/95/88/203249588.db2.gz MKROMCDKEDFFAQ-QGZVFWFLSA-N 2 0 339.483 3.442 20 0 EGADRP CCC(CC)(CNC(=O)CC[C@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000261741937 244660673 /nfs/dbraw/zinc/66/06/73/244660673.db2.gz GQLZCTJYFOERQJ-ROUUACIJSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000040770238 203705638 /nfs/dbraw/zinc/70/56/38/203705638.db2.gz QPLVGYMOYKVDNB-KBPBESRZSA-N 2 0 329.941 3.324 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000110438491 204311855 /nfs/dbraw/zinc/31/18/55/204311855.db2.gz QMFPFSKNMFLAGO-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000127374608 205097426 /nfs/dbraw/zinc/09/74/26/205097426.db2.gz OPOQZIWCMQWZRA-QWHCGFSZSA-N 2 0 330.303 3.280 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](CC2CC2)CC1 ZINC000130668861 205250000 /nfs/dbraw/zinc/25/00/00/205250000.db2.gz WEHRERMGAYZAET-UHFFFAOYSA-N 2 0 329.532 3.172 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1)N1CC[NH+](C)CC1 ZINC000132466225 205328176 /nfs/dbraw/zinc/32/81/76/205328176.db2.gz PPKYOAYLDVLMLN-CXAGYDPISA-N 2 0 343.437 3.027 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000351781868 284367926 /nfs/dbraw/zinc/36/79/26/284367926.db2.gz HXAYPYRYFBKYCK-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155930325 206043619 /nfs/dbraw/zinc/04/36/19/206043619.db2.gz QMOXBICGSFKQKY-CQSZACIVSA-N 2 0 331.460 3.125 20 0 EGADRP CCC(C)(C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000265166112 247263960 /nfs/dbraw/zinc/26/39/60/247263960.db2.gz CTDOELLKDOZPMN-UHFFFAOYSA-N 2 0 349.544 3.294 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000161756047 206368510 /nfs/dbraw/zinc/36/85/10/206368510.db2.gz GLPDZYQJMASIQU-KRWDZBQOSA-N 2 0 345.487 3.416 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000378342299 169104049 /nfs/dbraw/zinc/10/40/49/169104049.db2.gz OAISSSRJPIDAMN-PXNSSMCTSA-N 2 0 345.531 3.393 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378632934 169150005 /nfs/dbraw/zinc/15/00/05/169150005.db2.gz NKOVIQJGGPPAJC-XFWGSAIBSA-N 2 0 334.479 3.330 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257407 /nfs/dbraw/zinc/25/74/07/252257407.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000154201224 533184508 /nfs/dbraw/zinc/18/45/08/533184508.db2.gz HAQUEIXPUHVVKD-CUWPLCDZSA-N 2 0 345.531 3.295 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189145681 285246045 /nfs/dbraw/zinc/24/60/45/285246045.db2.gz QJGQGBNYNAILAF-HXUWFJFHSA-N 2 0 328.500 3.456 20 0 EGADRP C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371336010 533410828 /nfs/dbraw/zinc/41/08/28/533410828.db2.gz NDVKAFHRJMYFPF-DQYQWZCESA-N 2 0 327.516 3.190 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(-c2nccn2C)c1)C1CC[NH2+]CC1 ZINC000237585422 141009278 /nfs/dbraw/zinc/00/92/78/141009278.db2.gz ULYCRIUQCNPFOI-CQSZACIVSA-N 2 0 326.444 3.051 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000246907156 141042811 /nfs/dbraw/zinc/04/28/11/141042811.db2.gz GDBNUUKTIYPFCG-HDAAZOAOSA-N 2 0 344.547 3.002 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246959862 141045647 /nfs/dbraw/zinc/04/56/47/141045647.db2.gz IOIZYPXEJMNHHY-OXJNMPFZSA-N 2 0 333.495 3.110 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000356848069 141353771 /nfs/dbraw/zinc/35/37/71/141353771.db2.gz KNBHSJDBJZPLFK-IRXDYDNUSA-N 2 0 331.504 3.082 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000185706353 144117687 /nfs/dbraw/zinc/11/76/87/144117687.db2.gz RDBWKEKTUVLPMC-INIZCTEOSA-N 2 0 332.492 3.134 20 0 EGADRP Cc1ccccc1C1CC([N@H+](C[C@@H](O)CN(C)C2CC2)C2CC2)C1 ZINC000351514335 144272318 /nfs/dbraw/zinc/27/23/18/144272318.db2.gz OMAZFHRJCPXWTP-GQOXECLESA-N 2 0 328.500 3.161 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363925554 144376679 /nfs/dbraw/zinc/37/66/79/144376679.db2.gz UGLFORZXBBHECO-COXVUDFISA-N 2 0 335.879 3.274 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346552808 286198513 /nfs/dbraw/zinc/19/85/13/286198513.db2.gz JEUQXTVNUJIDBC-AZUAARDMSA-N 2 0 345.462 3.257 20 0 EGADRP CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000116396338 152057558 /nfs/dbraw/zinc/05/75/58/152057558.db2.gz YLGJDPRJEDMMOZ-ROUUACIJSA-N 2 0 333.520 3.037 20 0 EGADRP C[N@H+](CCc1cccc(NC(=O)c2ccc3nccn3c2)c1)C1CC1 ZINC000341533391 155338598 /nfs/dbraw/zinc/33/85/98/155338598.db2.gz PFIUEDLSKFBTLG-UHFFFAOYSA-N 2 0 334.423 3.223 20 0 EGADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000121354366 152346067 /nfs/dbraw/zinc/34/60/67/152346067.db2.gz BFFHTMYTSQIIGE-ZWKOTPCHSA-N 2 0 333.520 3.010 20 0 EGADRP COC(=O)c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)oc1C ZINC000121589768 152361013 /nfs/dbraw/zinc/36/10/13/152361013.db2.gz QAKSXWDLKXBOJL-UHFFFAOYSA-N 2 0 348.487 3.463 20 0 EGADRP CC(C)N(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000191449038 153198579 /nfs/dbraw/zinc/19/85/79/153198579.db2.gz UZGZQISRSCVGIT-UYAOXDASSA-N 2 0 342.531 3.375 20 0 EGADRP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192917672 153265892 /nfs/dbraw/zinc/26/58/92/153265892.db2.gz KMVKEKNGUYOKBX-FQEVSTJZSA-N 2 0 337.467 3.257 20 0 EGADRP COc1ccc([C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C(C)C)cc1 ZINC000091367482 286375690 /nfs/dbraw/zinc/37/56/90/286375690.db2.gz XJHUGTBNNVLGNJ-HXUWFJFHSA-N 2 0 333.520 3.008 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000303195498 154039062 /nfs/dbraw/zinc/03/90/62/154039062.db2.gz GHZVPYOVBOFYNU-HXUWFJFHSA-N 2 0 343.515 3.156 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000305145564 154086508 /nfs/dbraw/zinc/08/65/08/154086508.db2.gz RQPGDAPRHVIITR-NVXWUHKLSA-N 2 0 338.492 3.189 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(CO)c1 ZINC000305676050 154101820 /nfs/dbraw/zinc/10/18/20/154101820.db2.gz ZWYRRZASWURRCA-WIYYLYMNSA-N 2 0 338.495 3.394 20 0 EGADRP CCOC(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)OCC ZINC000310930731 154145415 /nfs/dbraw/zinc/14/54/15/154145415.db2.gz FCOAUIHBIFREAY-UHFFFAOYSA-N 2 0 346.515 3.374 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000317634303 154160158 /nfs/dbraw/zinc/16/01/58/154160158.db2.gz WVVHYEDFRHNDSA-UHFFFAOYSA-N 2 0 347.286 3.202 20 0 EGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000327283728 154186101 /nfs/dbraw/zinc/18/61/01/154186101.db2.gz KEZHKHRIEQPHTL-HNNXBMFYSA-N 2 0 338.455 3.360 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000337382134 154322336 /nfs/dbraw/zinc/32/23/36/154322336.db2.gz JQEAFFDOXHVLMO-JKSUJKDBSA-N 2 0 332.488 3.017 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000337404737 154336239 /nfs/dbraw/zinc/33/62/39/154336239.db2.gz SWHWFUWKFPVHQQ-INIZCTEOSA-N 2 0 334.504 3.406 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000341058504 155130874 /nfs/dbraw/zinc/13/08/74/155130874.db2.gz VRUQWKPQJZPDGY-GOSISDBHSA-N 2 0 345.531 3.007 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2Cl)n1 ZINC000346823009 156152655 /nfs/dbraw/zinc/15/26/55/156152655.db2.gz JTGXXJFQEMWRMO-FDQGKXFDSA-N 2 0 344.890 3.300 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OCC(C)C ZINC000346859409 156166388 /nfs/dbraw/zinc/16/63/88/156166388.db2.gz YKZRFEPANFTNBQ-RCCFBDPRSA-N 2 0 332.488 3.289 20 0 EGADRP C[NH+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CCCCC1 ZINC000346919792 156197889 /nfs/dbraw/zinc/19/78/89/156197889.db2.gz QHRFAEYTYJVVEX-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000347022971 156253038 /nfs/dbraw/zinc/25/30/38/156253038.db2.gz OVMHLASYARFNQR-UHFFFAOYSA-N 2 0 331.485 3.250 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1 ZINC000347024010 156255557 /nfs/dbraw/zinc/25/55/57/156255557.db2.gz LZWSJQMAVVATOB-INIZCTEOSA-N 2 0 333.520 3.311 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000347029602 156257437 /nfs/dbraw/zinc/25/74/37/156257437.db2.gz WTLVTSIXSVHGHI-UHFFFAOYSA-N 2 0 335.521 3.044 20 0 EGADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348906760 156284224 /nfs/dbraw/zinc/28/42/24/156284224.db2.gz VOQUXRGZNZNCFS-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)cc(C)n1 ZINC000349008435 156316747 /nfs/dbraw/zinc/31/67/47/156316747.db2.gz OQKMLQLQXUFSJC-UHFFFAOYSA-N 2 0 327.472 3.482 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000349091585 156352446 /nfs/dbraw/zinc/35/24/46/156352446.db2.gz YNLRMNZVPXXDTA-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000352783962 156487857 /nfs/dbraw/zinc/48/78/57/156487857.db2.gz ZKZGWGAFPYHIHG-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000365658534 157207582 /nfs/dbraw/zinc/20/75/82/157207582.db2.gz DSLOHNNPLGBDEJ-AWEZNQCLSA-N 2 0 339.468 3.318 20 0 EGADRP CSC1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC[NH+](C)CC1 ZINC000353621640 286657828 /nfs/dbraw/zinc/65/78/28/286657828.db2.gz KXLRVQKYLDLQML-MRXNPFEDSA-N 2 0 336.549 3.448 20 0 EGADRP Cc1ncsc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844430 162029498 /nfs/dbraw/zinc/02/94/98/162029498.db2.gz XGXCTFAWASEXHQ-GASCZTMLSA-N 2 0 337.533 3.163 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](SC)C2)[C@H](C)C1 ZINC000129293486 162352657 /nfs/dbraw/zinc/35/26/57/162352657.db2.gz HBIRCTAJMJCFQW-BDXSIMOUSA-N 2 0 328.566 3.387 20 0 EGADRP CCOC(=O)CCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248397443 163000570 /nfs/dbraw/zinc/00/05/70/163000570.db2.gz LRPMZUDNLSMKPM-YRWFTTLQSA-N 2 0 332.488 3.076 20 0 EGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000248430300 163004169 /nfs/dbraw/zinc/00/41/69/163004169.db2.gz BPECLKVHGCYJAN-IXDOHACOSA-N 2 0 347.503 3.185 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]4OCCC[C@@H]24)C3)cc1 ZINC000248763267 163032944 /nfs/dbraw/zinc/03/29/44/163032944.db2.gz DYDOFXQXTQPGHK-NXMWLWCLSA-N 2 0 326.484 3.339 20 0 EGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000248919916 163046883 /nfs/dbraw/zinc/04/68/83/163046883.db2.gz DYLLAMQNOFIDDX-HBMCJLEFSA-N 2 0 329.532 3.359 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(C2CCC2)c1 ZINC000336959910 163094366 /nfs/dbraw/zinc/09/43/66/163094366.db2.gz BMSVVIOXLLCCNE-UHFFFAOYSA-N 2 0 345.531 3.300 20 0 EGADRP Cc1nc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2n1C ZINC000354311319 166001470 /nfs/dbraw/zinc/00/14/70/166001470.db2.gz JYFHVGDXIWGKGY-UHFFFAOYSA-N 2 0 342.487 3.266 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccncc1F ZINC000337950495 163194733 /nfs/dbraw/zinc/19/47/33/163194733.db2.gz SNDBCYACHMHSST-HNNXBMFYSA-N 2 0 331.435 3.402 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2ccccc21 ZINC000338695482 163321023 /nfs/dbraw/zinc/32/10/23/163321023.db2.gz QJVHTIYUXCHLPH-AHRSYUTCSA-N 2 0 344.499 3.490 20 0 EGADRP c1cc(N2CCN(CCC[NH2+]C(C3CCC3)C3CCC3)CC2)cc[nH+]1 ZINC000338774203 163345390 /nfs/dbraw/zinc/34/53/90/163345390.db2.gz HEIUGNPCBLBWPO-UHFFFAOYSA-N 2 0 342.531 3.152 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000344009951 164081633 /nfs/dbraw/zinc/08/16/33/164081633.db2.gz ZTGGTRMVPAUJMT-GOSISDBHSA-N 2 0 345.874 3.453 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000345849488 164278986 /nfs/dbraw/zinc/27/89/86/164278986.db2.gz MNPDYKQNJISBFH-FQEVSTJZSA-N 2 0 343.515 3.080 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000346121167 164342016 /nfs/dbraw/zinc/34/20/16/164342016.db2.gz FCAPRWCAWXVMOX-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1nccn1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000346169645 164355787 /nfs/dbraw/zinc/35/57/87/164355787.db2.gz DIOIYSQYDLBAHB-UHFFFAOYSA-N 2 0 338.499 3.180 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000348640207 164789945 /nfs/dbraw/zinc/78/99/45/164789945.db2.gz HWSJDSMCQULYAM-JKSUJKDBSA-N 2 0 343.471 3.442 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000350180522 165016760 /nfs/dbraw/zinc/01/67/60/165016760.db2.gz GBGHEPWCWPQJOU-GDBMZVCRSA-N 2 0 326.431 3.459 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC(F)F ZINC000350185018 165017556 /nfs/dbraw/zinc/01/75/56/165017556.db2.gz SRMKHIPRMSTWCV-UHFFFAOYSA-N 2 0 328.403 3.070 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000352012474 165191900 /nfs/dbraw/zinc/19/19/00/165191900.db2.gz FOAUAUDTSBQIMU-IRXDYDNUSA-N 2 0 331.504 3.082 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000352149414 165260539 /nfs/dbraw/zinc/26/05/39/165260539.db2.gz PDSBTFYOTDQVQF-IBGZPJMESA-N 2 0 349.494 3.073 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000352156558 165263234 /nfs/dbraw/zinc/26/32/34/165263234.db2.gz LOMPYSXHGZYTFP-SFHVURJKSA-N 2 0 349.544 3.341 20 0 EGADRP C[C@@H](C[NH2+]C1CC(c2ccccc2Cl)C1)CN1CC[NH+](C)CC1 ZINC000352435613 165403495 /nfs/dbraw/zinc/40/34/95/165403495.db2.gz RADBHCACIZCGQY-GTPINHCMSA-N 2 0 335.923 3.059 20 0 EGADRP COc1c(O)cccc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355212237 166135172 /nfs/dbraw/zinc/13/51/72/166135172.db2.gz IETMYZBISWYHTP-KRWDZBQOSA-N 2 0 326.440 3.013 20 0 EGADRP C[S@@](=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000355228346 166141802 /nfs/dbraw/zinc/14/18/02/166141802.db2.gz UZXHICUBYJLTIH-NTKDMRAZSA-N 2 0 342.508 3.036 20 0 EGADRP C[S@@](=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000355228349 166141975 /nfs/dbraw/zinc/14/19/75/166141975.db2.gz UZXHICUBYJLTIH-YADARESESA-N 2 0 342.508 3.036 20 0 EGADRP CC(C)[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000355366146 166175722 /nfs/dbraw/zinc/17/57/22/166175722.db2.gz GUCPDEFLHVDROT-FQEVSTJZSA-N 2 0 345.531 3.276 20 0 EGADRP Cc1[nH+]ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1Cl ZINC000355684011 166282680 /nfs/dbraw/zinc/28/26/80/166282680.db2.gz OLLVHWLAVFAAFV-QGZVFWFLSA-N 2 0 345.874 3.168 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000359176577 167088562 /nfs/dbraw/zinc/08/85/62/167088562.db2.gz OKKZWSKUTMGBEZ-QFBILLFUSA-N 2 0 331.504 3.017 20 0 EGADRP CC[C@@H](C)[N@H+](CCC1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000359199707 167093521 /nfs/dbraw/zinc/09/35/21/167093521.db2.gz DXRCUKJLULGJFZ-OAHLLOKOSA-N 2 0 342.487 3.326 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000359221719 167099517 /nfs/dbraw/zinc/09/95/17/167099517.db2.gz HYZGSLFAFQWJGC-INIZCTEOSA-N 2 0 347.503 3.278 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359322277 167125253 /nfs/dbraw/zinc/12/52/53/167125253.db2.gz MORFQIJZKCZQLM-CRAIPNDOSA-N 2 0 349.475 3.177 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000360501582 167343775 /nfs/dbraw/zinc/34/37/75/167343775.db2.gz UPQORWKABPTJLZ-QGZVFWFLSA-N 3 0 345.531 3.295 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnn(CC(F)F)c3)CC2)CC1 ZINC000366334196 168107669 /nfs/dbraw/zinc/10/76/69/168107669.db2.gz RQNVPTTVQLUHFR-UHFFFAOYSA-N 2 0 340.462 3.281 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C2)CC1 ZINC000366878499 168152068 /nfs/dbraw/zinc/15/20/68/168152068.db2.gz FKPDXSLLEXQFCD-UHFFFAOYSA-N 2 0 335.879 3.086 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367058496 168174383 /nfs/dbraw/zinc/17/43/83/168174383.db2.gz ULBXMEXIIUFJMI-CTNGQTDRSA-N 2 0 344.547 3.115 20 0 EGADRP CC1CCC(N(C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)CC1 ZINC000367588539 168245527 /nfs/dbraw/zinc/24/55/27/168245527.db2.gz WXRHHTSGQNWRGZ-XJFWBRLCSA-N 2 0 347.547 3.113 20 0 EGADRP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(-c2cccs2)n1 ZINC000367681499 168258389 /nfs/dbraw/zinc/25/83/89/168258389.db2.gz CJYJZPGOAAMPKL-INIZCTEOSA-N 2 0 344.528 3.312 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N1CC[NH+](C)CC1 ZINC000132356811 264762169 /nfs/dbraw/zinc/76/21/69/264762169.db2.gz VIIZIBAXLUKLIC-UTKZUKDTSA-N 2 0 329.532 3.098 20 0 EGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000174027456 265019348 /nfs/dbraw/zinc/01/93/48/265019348.db2.gz VVJLCNIBBMTUKB-UHFFFAOYSA-N 2 0 339.524 3.288 20 0 EGADRP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000174173399 265029100 /nfs/dbraw/zinc/02/91/00/265029100.db2.gz JUSXRUKGYZQUSM-UONOGXRCSA-N 2 0 346.393 3.379 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(Cl)cs3)cc2)CC1 ZINC000193014917 266003886 /nfs/dbraw/zinc/00/38/86/266003886.db2.gz ODTKDXKIUNRRLE-UHFFFAOYSA-N 2 0 349.931 3.439 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3occc32)C1 ZINC000193277655 266021162 /nfs/dbraw/zinc/02/11/62/266021162.db2.gz DJUKNPPZUFIKOL-HKUYNNGSSA-N 2 0 326.440 3.013 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000195652371 266189769 /nfs/dbraw/zinc/18/97/69/266189769.db2.gz OVBRWUACVVRXGA-YADHBBJMSA-N 2 0 338.495 3.393 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC000237141327 266225415 /nfs/dbraw/zinc/22/54/15/266225415.db2.gz PRYAIPAUEBTELB-QYZOEREBSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](C)c3ccccc3)CC2)CC1 ZINC000269647132 266333237 /nfs/dbraw/zinc/33/32/37/266333237.db2.gz LLQUJLBYMMVAEW-IBGZPJMESA-N 2 0 329.532 3.281 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000272553521 266869677 /nfs/dbraw/zinc/86/96/77/266869677.db2.gz MJWPBTLBFMQSTR-OAHLLOKOSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272633986 266886228 /nfs/dbraw/zinc/88/62/28/266886228.db2.gz BJYXKMCRMNAHLK-MJUUVYJYSA-N 2 0 330.516 3.285 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273609626 267068680 /nfs/dbraw/zinc/06/86/80/267068680.db2.gz VJZBFSWBUQOTKG-LJQANCHMSA-N 2 0 335.923 3.333 20 0 EGADRP Cc1nccn1CCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000274128108 267186113 /nfs/dbraw/zinc/18/61/13/267186113.db2.gz XZFGQTSWZKNZRN-QZTJIDSGSA-N 2 0 340.515 3.328 20 0 EGADRP CCSc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000274400979 267229766 /nfs/dbraw/zinc/22/97/66/267229766.db2.gz FVQTZYLWNPQVMG-RTBURBONSA-N 2 0 334.529 3.266 20 0 EGADRP CCSc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000274400977 267230258 /nfs/dbraw/zinc/23/02/58/267230258.db2.gz FVQTZYLWNPQVMG-RBUKOAKNSA-N 2 0 334.529 3.266 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274726673 267277683 /nfs/dbraw/zinc/27/76/83/267277683.db2.gz ARZQADIGNORHDD-LLUDDFSJSA-N 2 0 328.500 3.444 20 0 EGADRP Cc1cc(C)n(CCC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000274967434 267312686 /nfs/dbraw/zinc/31/26/86/267312686.db2.gz XPUNOALJBCXEOT-PZJWPPBQSA-N 2 0 340.515 3.390 20 0 EGADRP C[C@@H]([NH2+]CCCNc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274974823 267314023 /nfs/dbraw/zinc/31/40/23/267314023.db2.gz YLMHNZOONYRMJL-UYAOXDASSA-N 2 0 338.499 3.384 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278508216 268028885 /nfs/dbraw/zinc/02/88/85/268028885.db2.gz REJKRUFLZMEVEV-PBEJRMEISA-N 2 0 342.458 3.359 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046426959 275137215 /nfs/dbraw/zinc/13/72/15/275137215.db2.gz FDDSDVOMDUIQTG-IRXDYDNUSA-N 2 0 346.519 3.238 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110819254 275181557 /nfs/dbraw/zinc/18/15/57/275181557.db2.gz FUGHOHJFWDBYMA-MRXNPFEDSA-N 2 0 339.321 3.484 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181358387 275206396 /nfs/dbraw/zinc/20/63/96/275206396.db2.gz RFZNMQLXMFNLDS-XJKCOSOUSA-N 2 0 340.309 3.179 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000194849237 275228027 /nfs/dbraw/zinc/22/80/27/275228027.db2.gz NKILYEKBOCRCJW-KRWDZBQOSA-N 2 0 335.561 3.477 20 0 EGADRP C[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262670738 275233028 /nfs/dbraw/zinc/23/30/28/275233028.db2.gz RLIXJPPIPBIJLG-LNLFQRSKSA-N 2 0 331.504 3.093 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H]1C ZINC000280315058 275436209 /nfs/dbraw/zinc/43/62/09/275436209.db2.gz OYIIJQLSNQJLAU-VDGAXYAQSA-N 2 0 344.499 3.350 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000282610210 275653238 /nfs/dbraw/zinc/65/32/38/275653238.db2.gz IFXCTKAKQUHUDK-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000287100364 276083570 /nfs/dbraw/zinc/08/35/70/276083570.db2.gz QALQSXUIMSPWRL-OALUTQOASA-N 2 0 344.503 3.006 20 0 EGADRP COCCC[C@@H]([NH2+]CCN(C)C)c1ccc(Br)cc1 ZINC000287138649 276088453 /nfs/dbraw/zinc/08/84/53/276088453.db2.gz SCCQZKXMSFHUNO-OAHLLOKOSA-N 2 0 329.282 3.068 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287287931 276104670 /nfs/dbraw/zinc/10/46/70/276104670.db2.gz BVAJYEALCJGTKY-QZTJIDSGSA-N 2 0 341.503 3.286 20 0 EGADRP COc1cc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)c(F)cn1 ZINC000287606778 276138865 /nfs/dbraw/zinc/13/88/65/276138865.db2.gz IXEDDKGRSOHNBA-CQSZACIVSA-N 2 0 347.434 3.021 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289418175 276335927 /nfs/dbraw/zinc/33/59/27/276335927.db2.gz IRZSJYQTERILAM-GOSISDBHSA-N 2 0 347.522 3.106 20 0 EGADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(COCCOC)cc1 ZINC000289475251 276344576 /nfs/dbraw/zinc/34/45/76/276344576.db2.gz PWBMNBJULSKANX-UHFFFAOYSA-N 2 0 334.504 3.157 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000289538305 276354735 /nfs/dbraw/zinc/35/47/35/276354735.db2.gz BMWLAXBSINQBHD-SFHVURJKSA-N 2 0 340.515 3.303 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1nccc2ccccc21)N1CC[NH+](C)CC1 ZINC000289554196 276357198 /nfs/dbraw/zinc/35/71/98/276357198.db2.gz CJDDVALNOIDEMX-FXAWDEMLSA-N 2 0 340.515 3.157 20 0 EGADRP COC1(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000289748981 276387655 /nfs/dbraw/zinc/38/76/55/276387655.db2.gz IATGAJZFEXEOEC-FQEVSTJZSA-N 2 0 346.515 3.074 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000292022788 276722152 /nfs/dbraw/zinc/72/21/52/276722152.db2.gz FOUXHTAKYJRENS-FQEVSTJZSA-N 2 0 343.515 3.211 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000292173995 276744856 /nfs/dbraw/zinc/74/48/56/276744856.db2.gz WEWICQHTHQMMKM-SJORKVTESA-N 2 0 349.544 3.170 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000368440908 277204071 /nfs/dbraw/zinc/20/40/71/277204071.db2.gz IXERUTWLOTYSCN-GQGLESIBSA-N 2 0 337.508 3.039 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370634878 277701999 /nfs/dbraw/zinc/70/19/99/277701999.db2.gz NHQFMUJPYWZJCE-MJGOQNOKSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359118306 278151428 /nfs/dbraw/zinc/15/14/28/278151428.db2.gz VFPRHYUBDKLTIS-RMJJICAUSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CCSCC1 ZINC000343975176 278359388 /nfs/dbraw/zinc/35/93/88/278359388.db2.gz GQIWQGIYDHRMHA-OAHLLOKOSA-N 2 0 337.533 3.033 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000342693740 279006668 /nfs/dbraw/zinc/00/66/68/279006668.db2.gz MVNGMTLIGJDDKC-LCLWPZTBSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)C1CC1 ZINC000051688379 279055619 /nfs/dbraw/zinc/05/56/19/279055619.db2.gz JRJBJVZMSCRFOL-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000303240876 279153472 /nfs/dbraw/zinc/15/34/72/279153472.db2.gz JOGBCOHQMNIEQH-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000355542441 279154429 /nfs/dbraw/zinc/15/44/29/279154429.db2.gz DQYOMZTVFQUMGH-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccsc1 ZINC000355410745 279162292 /nfs/dbraw/zinc/16/22/92/279162292.db2.gz RLPLAZUQZIJEKB-HLLBOEOZSA-N 2 0 337.533 3.120 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000263219953 279168261 /nfs/dbraw/zinc/16/82/61/279168261.db2.gz LSEHSKLVRNLBOJ-UYAOXDASSA-N 2 0 335.536 3.009 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc(Br)cc1F ZINC000187166104 279466104 /nfs/dbraw/zinc/46/61/04/279466104.db2.gz BCDBMDGLLVJOBH-NSHDSACASA-N 2 0 344.272 3.366 20 0 EGADRP Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(-c2ccnn2C)c1 ZINC000338443341 280826509 /nfs/dbraw/zinc/82/65/09/280826509.db2.gz DHHNWIKPNXWBLB-UHFFFAOYSA-N 2 0 338.499 3.360 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000236680499 282071569 /nfs/dbraw/zinc/07/15/69/282071569.db2.gz KXQIAWRMMPWUMJ-ZBFHGGJFSA-N 2 0 337.533 3.012 20 0 EGADRP CN(CC[NH+](C)C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000078462280 289129409 /nfs/dbraw/zinc/12/94/09/289129409.db2.gz BFGDHXSPLIYDBK-UHFFFAOYSA-N 2 0 346.519 3.476 20 0 EGADRP CCC(CC)(CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000073648383 307387547 /nfs/dbraw/zinc/38/75/47/307387547.db2.gz YXONZEVIUKSBGS-QGZVFWFLSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000119016867 307489342 /nfs/dbraw/zinc/48/93/42/307489342.db2.gz RJSMPARLDZKLLU-HXUWFJFHSA-N 2 0 343.559 3.404 20 0 EGADRP C[NH+](C)CC1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000119963755 307502067 /nfs/dbraw/zinc/50/20/67/307502067.db2.gz BUJZKEXEXVVYEM-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414112290 309061471 /nfs/dbraw/zinc/06/14/71/309061471.db2.gz XTAPXSDSBMNUCB-AOIWGVFYSA-N 2 0 326.488 3.371 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000132586034 307660037 /nfs/dbraw/zinc/66/00/37/307660037.db2.gz OVLFAZWHPDFCTH-YADHBBJMSA-N 2 0 343.559 3.178 20 0 EGADRP CN(c1ccccc1C[NH2+]CCOC1CCCC1)C1CC[NH+](C)CC1 ZINC000133400078 307671997 /nfs/dbraw/zinc/67/19/97/307671997.db2.gz PHWNOSPQFIVNOR-UHFFFAOYSA-N 2 0 345.531 3.266 20 0 EGADRP CC[C@@]1(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCC[NH2+]1 ZINC000134584073 307690361 /nfs/dbraw/zinc/69/03/61/307690361.db2.gz QCCANHQGDFIKEZ-NRFANRHFSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)o1 ZINC000136061747 307709071 /nfs/dbraw/zinc/70/90/71/307709071.db2.gz LMSCEEOQXBMIMN-UHFFFAOYSA-N 2 0 342.418 3.469 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000153256209 307769185 /nfs/dbraw/zinc/76/91/85/307769185.db2.gz CHEQFLVWPQEIPH-ZACQAIPSSA-N 2 0 347.503 3.217 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C(C)C)cc1 ZINC000154432887 307794514 /nfs/dbraw/zinc/79/45/14/307794514.db2.gz STMMNTQQRZLXEE-NRFANRHFSA-N 2 0 331.548 3.179 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000163109224 307919662 /nfs/dbraw/zinc/91/96/62/307919662.db2.gz OSEWFZSWBIXECQ-JXFKEZNVSA-N 2 0 334.504 3.219 20 0 EGADRP CCC[C@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414330780 309073286 /nfs/dbraw/zinc/07/32/86/309073286.db2.gz SPHXUTPWGZHREO-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000293916113 308173703 /nfs/dbraw/zinc/17/37/03/308173703.db2.gz XDLKNGGUTILUKY-GOSISDBHSA-N 2 0 328.504 3.036 20 0 EGADRP COc1ccc(OC)c([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000294281307 308206499 /nfs/dbraw/zinc/20/64/99/308206499.db2.gz SSHJDDSNUZHMOB-OAHLLOKOSA-N 2 0 341.455 3.418 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000294928700 308272698 /nfs/dbraw/zinc/27/26/98/308272698.db2.gz XIPBUFVZYVVGIA-HXUWFJFHSA-N 2 0 349.950 3.277 20 0 EGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295108120 308292077 /nfs/dbraw/zinc/29/20/77/308292077.db2.gz LHICVOMVXPFGFD-YOEHRIQHSA-N 2 0 344.421 3.073 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295136422 308295496 /nfs/dbraw/zinc/29/54/96/308295496.db2.gz ZBWHVVFTWJKNIQ-MIGBEJBISA-N 2 0 329.488 3.181 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)O[C@@H]3C)CC2)cc1 ZINC000295147985 308296929 /nfs/dbraw/zinc/29/69/29/308296929.db2.gz JGUPRKIADIYXSE-RZQQEMMASA-N 2 0 332.488 3.063 20 0 EGADRP CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000295860480 308368349 /nfs/dbraw/zinc/36/83/49/308368349.db2.gz FLHGPRQNCVORFT-CVEARBPZSA-N 2 0 330.476 3.255 20 0 EGADRP CCOc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1OCC(F)(F)F ZINC000414657895 309093930 /nfs/dbraw/zinc/09/39/30/309093930.db2.gz IIWBMSMGTXWKTN-UHFFFAOYSA-N 2 0 348.409 3.443 20 0 EGADRP C[C@H]1C[C@@H](C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414695577 309095813 /nfs/dbraw/zinc/09/58/13/309095813.db2.gz PCZSSELIUOBRPX-RXVVDRJESA-N 3 0 329.532 3.219 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC[NH2+]1 ZINC000414694919 309095868 /nfs/dbraw/zinc/09/58/68/309095868.db2.gz TYDVUUUBPLKMMJ-CVEARBPZSA-N 2 0 344.478 3.468 20 0 EGADRP C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414714945 309096956 /nfs/dbraw/zinc/09/69/56/309096956.db2.gz QTKJXZZEPQOTLC-KRWDZBQOSA-N 2 0 344.503 3.277 20 0 EGADRP CC(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414716326 309097048 /nfs/dbraw/zinc/09/70/48/309097048.db2.gz ZUVHXVSNZSYLMU-PXNSSMCTSA-N 2 0 343.515 3.144 20 0 EGADRP COc1ccc(Br)cc1C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414675228 309094988 /nfs/dbraw/zinc/09/49/88/309094988.db2.gz FLRTXSSQNCDYRM-OLZOCXBDSA-N 2 0 341.293 3.278 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000414677536 309095063 /nfs/dbraw/zinc/09/50/63/309095063.db2.gz WPCCCTBJHJNEAW-KSZLIROESA-N 2 0 332.488 3.433 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000414718114 309097217 /nfs/dbraw/zinc/09/72/17/309097217.db2.gz VHVLCIOMSVMBJA-QGZVFWFLSA-N 2 0 344.503 3.406 20 0 EGADRP COc1ccc(Br)c(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414752462 309098857 /nfs/dbraw/zinc/09/88/57/309098857.db2.gz KSZJHGHPOVDGMD-OLZOCXBDSA-N 2 0 341.293 3.278 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772003 309100053 /nfs/dbraw/zinc/10/00/53/309100053.db2.gz BBMCACYQOBHPCD-KGLIPLIRSA-N 2 0 332.879 3.048 20 0 EGADRP FC(F)(F)COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414769705 309099810 /nfs/dbraw/zinc/09/98/10/309099810.db2.gz NODULXPKJRPLFL-GASCZTMLSA-N 2 0 328.378 3.059 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414775133 309100101 /nfs/dbraw/zinc/10/01/01/309100101.db2.gz GFXGMFVAIWGKCN-MRXNPFEDSA-N 2 0 342.405 3.201 20 0 EGADRP CO[C@@H](C)c1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000297754554 308561051 /nfs/dbraw/zinc/56/10/51/308561051.db2.gz UMJGOASQYROWNS-ZDUSSCGKSA-N 2 0 332.473 3.004 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773257 309100186 /nfs/dbraw/zinc/10/01/86/309100186.db2.gz WXSIKURHXYKAOE-IYBDPMFKSA-N 2 0 344.890 3.266 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784229 309101016 /nfs/dbraw/zinc/10/10/16/309101016.db2.gz QZADKGXRIBGSDG-HUUCEWRRSA-N 2 0 328.485 3.027 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000414786639 309101108 /nfs/dbraw/zinc/10/11/08/309101108.db2.gz KVCAHIHCUFKIQO-CVEARBPZSA-N 2 0 329.271 3.322 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414795306 309101904 /nfs/dbraw/zinc/10/19/04/309101904.db2.gz GNOZYXNZFXVHMF-KDOFPFPSSA-N 2 0 349.906 3.052 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414803003 309102376 /nfs/dbraw/zinc/10/23/76/309102376.db2.gz CIXHWFCTCXAPPZ-AWEZNQCLSA-N 2 0 339.911 3.184 20 0 EGADRP c1cn(-c2ccccc2)nc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298481902 308618046 /nfs/dbraw/zinc/61/80/46/308618046.db2.gz PNCRVDWXDIEOJG-UHFFFAOYSA-N 2 0 347.466 3.068 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414812235 309103217 /nfs/dbraw/zinc/10/32/17/309103217.db2.gz XHMWFIDDQNLVRX-PXNSSMCTSA-N 2 0 325.456 3.268 20 0 EGADRP c1c(C[NH2+]C[C@H]2CCC[NH2+]C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000414827877 309104042 /nfs/dbraw/zinc/10/40/42/309104042.db2.gz KWGIKAFMSWHSPD-KRWDZBQOSA-N 2 0 347.466 3.024 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000414827134 309104116 /nfs/dbraw/zinc/10/41/16/309104116.db2.gz GQVAUBKOGORBPU-CYBMUJFWSA-N 2 0 326.868 3.227 20 0 EGADRP Fc1ccc(COc2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)c2)cc1 ZINC000414828786 309104210 /nfs/dbraw/zinc/10/42/10/309104210.db2.gz MVGKKKLWQHYMPS-SFHVURJKSA-N 2 0 328.431 3.494 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414830923 309104227 /nfs/dbraw/zinc/10/42/27/309104227.db2.gz CPZZFUGGCOJRLM-OAHLLOKOSA-N 2 0 348.441 3.247 20 0 EGADRP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OCc1cccs1 ZINC000414829944 309104302 /nfs/dbraw/zinc/10/43/02/309104302.db2.gz LJWRTQMYMUIYHR-OAHLLOKOSA-N 2 0 346.496 3.425 20 0 EGADRP Clc1ccc(OCc2cccnc2)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414832706 309104382 /nfs/dbraw/zinc/10/43/82/309104382.db2.gz OPKQASSRORDHEN-HNNXBMFYSA-N 2 0 345.874 3.403 20 0 EGADRP FC(F)Oc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000414837014 309104616 /nfs/dbraw/zinc/10/46/16/309104616.db2.gz TYYXZHSJMOSOMA-JTQLQIEISA-N 2 0 349.219 3.140 20 0 EGADRP OCC[NH+]1CCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000302772463 308744857 /nfs/dbraw/zinc/74/48/57/308744857.db2.gz CRWANKSLLHMOGG-UHFFFAOYSA-N 2 0 349.434 3.141 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000303593336 308753991 /nfs/dbraw/zinc/75/39/91/308753991.db2.gz VSNDRYIPYBHSEO-FXAWDEMLSA-N 2 0 345.531 3.232 20 0 EGADRP [NH3+]C1(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C2CC3CC(C2)CC1C3 ZINC000333765238 308867873 /nfs/dbraw/zinc/86/78/73/308867873.db2.gz BDWGGQJIGUAJDV-XJCQWWSESA-N 2 0 339.527 3.223 20 0 EGADRP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411623751 308946045 /nfs/dbraw/zinc/94/60/45/308946045.db2.gz ZVZDCVSTLCLEOL-IEBWSBKVSA-N 2 0 337.552 3.170 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000413176814 309019838 /nfs/dbraw/zinc/01/98/38/309019838.db2.gz VGGGFBGMFSZYIL-CQSZACIVSA-N 2 0 329.444 3.173 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414855023 309105750 /nfs/dbraw/zinc/10/57/50/309105750.db2.gz MRQOHPABLOKMRQ-ZNMIVQPWSA-N 2 0 337.895 3.343 20 0 EGADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414899486 309108216 /nfs/dbraw/zinc/10/82/16/309108216.db2.gz CKLHKCALJTZDBE-MRXNPFEDSA-N 2 0 346.393 3.116 20 0 EGADRP COC[C@]1(C[NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414956179 309111200 /nfs/dbraw/zinc/11/12/00/309111200.db2.gz OGTLGGYRTQMJGZ-WMLDXEAASA-N 2 0 344.421 3.385 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414962590 309111893 /nfs/dbraw/zinc/11/18/93/309111893.db2.gz JWLMMYUHDJKDBV-LJQANCHMSA-N 2 0 325.456 3.379 20 0 EGADRP Brc1cc2c(c(C[NH2+]CCC[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000414982019 309112791 /nfs/dbraw/zinc/11/27/91/309112791.db2.gz YCQNFWDWQDLSPH-HNNXBMFYSA-N 2 0 339.277 3.006 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000415003420 309113724 /nfs/dbraw/zinc/11/37/24/309113724.db2.gz MYOHSEQEGJWYIH-HKUYMTLNSA-N 2 0 344.474 3.066 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000415003271 309113800 /nfs/dbraw/zinc/11/38/00/309113800.db2.gz WWOVEMRKLIDUPQ-AEFFLSMTSA-N 2 0 325.456 3.268 20 0 EGADRP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011911 309114197 /nfs/dbraw/zinc/11/41/97/309114197.db2.gz RKZCAXWRUOIZSW-UONOGXRCSA-N 2 0 330.806 3.419 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc(Br)c1OC ZINC000415027955 309115199 /nfs/dbraw/zinc/11/51/99/309115199.db2.gz XMDITJGMHXWKCO-NSHDSACASA-N 2 0 345.281 3.073 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000415029215 309115360 /nfs/dbraw/zinc/11/53/60/309115360.db2.gz ZXGARKMPLZFFAR-MRXNPFEDSA-N 2 0 335.455 3.151 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000415040752 309116031 /nfs/dbraw/zinc/11/60/31/309116031.db2.gz PIBLURYJYRQWSX-XHDPSFHLSA-N 2 0 338.377 3.313 20 0 EGADRP COc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c(OC)c1OC ZINC000415045428 309116153 /nfs/dbraw/zinc/11/61/53/309116153.db2.gz BRCPQGHHOHZVQB-KRWDZBQOSA-N 2 0 344.455 3.282 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415048297 309116517 /nfs/dbraw/zinc/11/65/17/309116517.db2.gz WTHDLDHUONVERD-MOPGFXCFSA-N 2 0 326.488 3.074 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000415050331 309116655 /nfs/dbraw/zinc/11/66/55/309116655.db2.gz YMQDXMOJUXSZHK-QFBILLFUSA-N 2 0 338.499 3.442 20 0 EGADRP COc1cc(OC)c(OC)cc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415067820 309118021 /nfs/dbraw/zinc/11/80/21/309118021.db2.gz PXCFPNIPWFSALE-QGZVFWFLSA-N 2 0 344.455 3.282 20 0 EGADRP CC(C)c1ccc([C@H]([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)cc1 ZINC000415078999 309118631 /nfs/dbraw/zinc/11/86/31/309118631.db2.gz JKFNKSQEOXQSEG-LAUBAEHRSA-N 2 0 345.531 3.294 20 0 EGADRP Fc1ccc(CN2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)c(Cl)c1 ZINC000415089839 309119504 /nfs/dbraw/zinc/11/95/04/309119504.db2.gz YFXXQFMFGDNBFR-SJORKVTESA-N 2 0 339.886 3.175 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C1 ZINC000415127241 309122370 /nfs/dbraw/zinc/12/23/70/309122370.db2.gz QOSGUBDLHFBTMW-RDJZCZTQSA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C1 ZINC000415129369 309122623 /nfs/dbraw/zinc/12/26/23/309122623.db2.gz UMZPEEKVUURDJY-RDJZCZTQSA-N 2 0 340.414 3.006 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000415132341 309122690 /nfs/dbraw/zinc/12/26/90/309122690.db2.gz KYLLLOGWEOFDCO-QWFCFKBJSA-N 2 0 329.532 3.394 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)ccc21 ZINC000415795834 309144090 /nfs/dbraw/zinc/14/40/90/309144090.db2.gz XOIRKRINSVXRAC-RTBURBONSA-N 2 0 344.503 3.265 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000415955024 309151032 /nfs/dbraw/zinc/15/10/32/309151032.db2.gz IZUKRGYBIAMXLO-UHFFFAOYSA-N 2 0 338.455 3.063 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000416161799 309161547 /nfs/dbraw/zinc/16/15/47/309161547.db2.gz NSLQWSAXLSEUQS-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416181803 309162626 /nfs/dbraw/zinc/16/26/26/309162626.db2.gz TULUNGVIVJAZAJ-UYAOXDASSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n(C)n1 ZINC000417868548 309225966 /nfs/dbraw/zinc/22/59/66/309225966.db2.gz KFXDSBGDBKKGQC-MRXNPFEDSA-N 2 0 326.488 3.250 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000420284604 309279425 /nfs/dbraw/zinc/27/94/25/309279425.db2.gz DATSRYQIFCWBBG-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP COc1cc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000420298849 309280103 /nfs/dbraw/zinc/28/01/03/309280103.db2.gz IANQYZKRSIPDLH-CQSZACIVSA-N 2 0 338.517 3.247 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000420310925 309281372 /nfs/dbraw/zinc/28/13/72/309281372.db2.gz QJWPONCUCYWISM-CQSZACIVSA-N 2 0 344.459 3.128 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CCC[NH2+]C1 ZINC000420317158 309281511 /nfs/dbraw/zinc/28/15/11/309281511.db2.gz NLNMALVUVWVBJF-INIZCTEOSA-N 2 0 344.478 3.470 20 0 EGADRP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420315230 309281533 /nfs/dbraw/zinc/28/15/33/309281533.db2.gz KXDLQRCOSITWGI-HNAYVOBHSA-N 2 0 337.458 3.033 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420316820 309281645 /nfs/dbraw/zinc/28/16/45/309281645.db2.gz YNXSJTSWIBBWOQ-DUVNUKRYSA-N 2 0 344.480 3.247 20 0 EGADRP CC[C@H](C)[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420318287 309281790 /nfs/dbraw/zinc/28/17/90/309281790.db2.gz OILINXJOFLKCOH-JKSUJKDBSA-N 2 0 342.487 3.326 20 0 EGADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420331116 309282477 /nfs/dbraw/zinc/28/24/77/309282477.db2.gz BOAZGKKXQRSGPU-ZWKOTPCHSA-N 2 0 337.467 3.100 20 0 EGADRP Fc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420329796 309282660 /nfs/dbraw/zinc/28/26/60/309282660.db2.gz OZEXTNAGLONHSI-UONOGXRCSA-N 2 0 341.268 3.410 20 0 EGADRP Cc1ccc(SCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000420328915 309282692 /nfs/dbraw/zinc/28/26/92/309282692.db2.gz NLQNILNXYURTPN-KRWDZBQOSA-N 2 0 334.529 3.083 20 0 EGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332713 309282877 /nfs/dbraw/zinc/28/28/77/309282877.db2.gz SEHZPHKJLNSVCF-RDBSUJKOSA-N 2 0 332.473 3.181 20 0 EGADRP Fc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420338400 309283184 /nfs/dbraw/zinc/28/31/84/309283184.db2.gz XXRIUGMJGIHDMY-JKSUJKDBSA-N 2 0 329.419 3.302 20 0 EGADRP Fc1ccccc1-c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000420339624 309283194 /nfs/dbraw/zinc/28/31/94/309283194.db2.gz QYXKJMBRUYRYCZ-QGZVFWFLSA-N 2 0 329.419 3.445 20 0 EGADRP CC1CCC(N(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C2CC2)CC1 ZINC000420338652 309283212 /nfs/dbraw/zinc/28/32/12/309283212.db2.gz QBOHRRJUPPPUJL-OUNSHVDWSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343821 309283376 /nfs/dbraw/zinc/28/33/76/309283376.db2.gz RMRGNCSBPVUBKU-OIISXLGYSA-N 2 0 326.444 3.119 20 0 EGADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345030 309283511 /nfs/dbraw/zinc/28/35/11/309283511.db2.gz UVWLTTXAMDXFPW-ZVDOUQERSA-N 2 0 349.478 3.298 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420346850 309283605 /nfs/dbraw/zinc/28/36/05/309283605.db2.gz ZGTXZTQFGJUIPM-BBWFWOEESA-N 2 0 340.471 3.428 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000420361953 309284118 /nfs/dbraw/zinc/28/41/18/309284118.db2.gz NUJJRBCBEIGDLM-QUCCMNQESA-N 2 0 339.483 3.314 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC[C@@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367682 309284623 /nfs/dbraw/zinc/28/46/23/309284623.db2.gz HIQRHSUSFBJAGX-NNWRFLSQSA-N 3 0 341.543 3.363 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374168 309285068 /nfs/dbraw/zinc/28/50/68/309285068.db2.gz NONRJNIAKYWLIN-FCHUYYIVSA-N 3 0 341.543 3.363 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000420374956 309285150 /nfs/dbraw/zinc/28/51/50/309285150.db2.gz IELALAVYQOLTME-PXNSSMCTSA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3nc4ccccc4s3)CC2)C1 ZINC000420379997 309285295 /nfs/dbraw/zinc/28/52/95/309285295.db2.gz BHSYHEKEZCNBCB-GOEBONIOSA-N 2 0 331.485 3.015 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000420380494 309285419 /nfs/dbraw/zinc/28/54/19/309285419.db2.gz BYJAMBZFMXDRFI-PBHICJAKSA-N 2 0 335.879 3.133 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000420389161 309286034 /nfs/dbraw/zinc/28/60/34/309286034.db2.gz XZDWTFFEIOYUSH-HSALFYBXSA-N 2 0 332.463 3.421 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3Cl)CC2)C1 ZINC000420396724 309286252 /nfs/dbraw/zinc/28/62/52/309286252.db2.gz WFDIGEURWCQXNN-DOTOQJQBSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000420396966 309286300 /nfs/dbraw/zinc/28/63/00/309286300.db2.gz FNZKVHNPVVVFAI-APWZRJJASA-N 2 0 337.467 3.356 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Cl ZINC000420411110 309286865 /nfs/dbraw/zinc/28/68/65/309286865.db2.gz YFPFLHINXMHTOF-PBHICJAKSA-N 2 0 335.879 3.133 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CC(F)F)c2ccccc2)CC1 ZINC000420991842 309306349 /nfs/dbraw/zinc/30/63/49/309306349.db2.gz JSBWGRVADCSOFQ-SFHVURJKSA-N 2 0 339.474 3.389 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3C(C)=CCC[C@H]3C)CC2)CC1 ZINC000421372690 309321295 /nfs/dbraw/zinc/32/12/95/309321295.db2.gz LIJSMJNSCWPSPZ-CTNGQTDRSA-N 2 0 333.564 3.471 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421820648 309341395 /nfs/dbraw/zinc/34/13/95/309341395.db2.gz NESHYGDXHHUCCH-HUUCEWRRSA-N 2 0 341.902 3.026 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000421827842 309342047 /nfs/dbraw/zinc/34/20/47/309342047.db2.gz ZUCGYQMLTXVFQA-OAHLLOKOSA-N 2 0 341.902 3.027 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000421878529 309344746 /nfs/dbraw/zinc/34/47/46/309344746.db2.gz NLYRQTHEDFBLPN-LRVUVFPRSA-N 2 0 325.522 3.164 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H]1C[NH3+] ZINC000422563681 309361829 /nfs/dbraw/zinc/36/18/29/309361829.db2.gz UGVSVCPYCBWWJA-YNVMFWSZSA-N 2 0 332.488 3.050 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)NC(C)(C)CC[NH3+])c2)CC1 ZINC000422569884 309361892 /nfs/dbraw/zinc/36/18/92/309361892.db2.gz FTXMIISCWQSUMT-UHFFFAOYSA-N 2 0 346.519 3.210 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000422713407 309364318 /nfs/dbraw/zinc/36/43/18/309364318.db2.gz PNQYPIMGVHWQKQ-ZTFGCOKTSA-N 2 0 336.907 3.364 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2sccc2C1 ZINC000422715058 309364518 /nfs/dbraw/zinc/36/45/18/309364518.db2.gz LVHMSUBYIPWEKG-NRSFXHEJSA-N 2 0 333.545 3.005 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422717763 309364623 /nfs/dbraw/zinc/36/46/23/309364623.db2.gz PCKRVPTUNBCLFM-IEBWSBKVSA-N 2 0 329.488 3.422 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422722606 309365143 /nfs/dbraw/zinc/36/51/43/309365143.db2.gz PMBZIKDGLJLZDB-MOPGFXCFSA-N 2 0 337.458 3.179 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422731175 309365638 /nfs/dbraw/zinc/36/56/38/309365638.db2.gz GMGLENCHTUUZDL-HMXCVIKNSA-N 2 0 338.451 3.220 20 0 EGADRP c1csc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422735786 309365821 /nfs/dbraw/zinc/36/58/21/309365821.db2.gz WPRBDRYBPQJOCA-TVFCKZIOSA-N 2 0 333.545 3.395 20 0 EGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422734745 309365936 /nfs/dbraw/zinc/36/59/36/309365936.db2.gz TWYOPNUDYVPMPC-JKWVGCSGSA-N 2 0 341.543 3.332 20 0 EGADRP C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCCC1)C1C[NH2+]C1 ZINC000422772312 309367603 /nfs/dbraw/zinc/36/76/03/309367603.db2.gz WWBNPJLFFVZDHM-CYBMUJFWSA-N 2 0 337.305 3.458 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422787473 309368182 /nfs/dbraw/zinc/36/81/82/309368182.db2.gz MEYBNACICIEMQA-QUCCMNQESA-N 2 0 326.488 3.155 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422788253 309368241 /nfs/dbraw/zinc/36/82/41/309368241.db2.gz QWDXJINGQZZVNW-DNVCBOLYSA-N 2 0 335.923 3.282 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422789533 309368348 /nfs/dbraw/zinc/36/83/48/309368348.db2.gz UATOISHLZLRTGX-CJNGLKHVSA-N 2 0 337.305 3.458 20 0 EGADRP COc1ccccc1O[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422786680 309368360 /nfs/dbraw/zinc/36/83/60/309368360.db2.gz LGFFSFYWPBMKAA-JFIYKMOQSA-N 2 0 328.456 3.011 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Oc1ccc(Br)cc1 ZINC000422794090 309368708 /nfs/dbraw/zinc/36/87/08/309368708.db2.gz GHWYVSCFSZTCPJ-WWGRRREGSA-N 2 0 341.293 3.324 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422797405 309368923 /nfs/dbraw/zinc/36/89/23/309368923.db2.gz MKBPTRPPEHBKBM-QUCCMNQESA-N 2 0 326.415 3.480 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422799014 309369086 /nfs/dbraw/zinc/36/90/86/309369086.db2.gz URFPTUQAAIDFNA-UYAOXDASSA-N 2 0 326.415 3.480 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422805842 309369385 /nfs/dbraw/zinc/36/93/85/309369385.db2.gz JSYMCWIPSOPWJL-VIFPVBQESA-N 2 0 344.406 3.217 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1Br ZINC000422830785 309370756 /nfs/dbraw/zinc/37/07/56/309370756.db2.gz CYXNVIIFNYVHSL-VNHYZAJKSA-N 2 0 341.293 3.324 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1Br ZINC000422839192 309371270 /nfs/dbraw/zinc/37/12/70/309371270.db2.gz PUPOUSLFIPSDCC-GUTXKFCHSA-N 2 0 341.293 3.194 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)cc2c(OC)c1 ZINC000422848936 309371977 /nfs/dbraw/zinc/37/19/77/309371977.db2.gz BJEHPRHAYIBDNH-KBXCAEBGSA-N 2 0 345.487 3.238 20 0 EGADRP CC[C@H]([NH2+]CCCc1cc2c(cc(OC)cc2OC)[nH]1)[C@@H]1CCC[NH2+]1 ZINC000422861322 309372597 /nfs/dbraw/zinc/37/25/97/309372597.db2.gz JBDITZHMBMBJQF-ROUUACIJSA-N 2 0 345.487 3.238 20 0 EGADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422868726 309372847 /nfs/dbraw/zinc/37/28/47/309372847.db2.gz VMDMHPVQEROFNU-SLFFLAALSA-N 2 0 346.515 3.421 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422884094 309373949 /nfs/dbraw/zinc/37/39/49/309373949.db2.gz RSDYMNMXGFPVGC-ZACQAIPSSA-N 3 0 332.536 3.257 20 0 EGADRP CC[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000422888496 309374253 /nfs/dbraw/zinc/37/42/53/309374253.db2.gz NBAUWFAPNMJHHV-OXJNMPFZSA-N 2 0 339.483 3.233 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422895001 309374744 /nfs/dbraw/zinc/37/47/44/309374744.db2.gz UVUQNXMZGIJRSI-QFBILLFUSA-N 2 0 341.430 3.295 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000422895394 309374900 /nfs/dbraw/zinc/37/49/00/309374900.db2.gz VWDSSMOHXLVQMZ-FCGDIQPGSA-N 3 0 329.532 3.252 20 0 EGADRP COc1ccc(COCCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422914054 309375958 /nfs/dbraw/zinc/37/59/58/309375958.db2.gz ZYYOPWPOQBRFQP-OAHLLOKOSA-N 2 0 343.471 3.115 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422946901 309377508 /nfs/dbraw/zinc/37/75/08/309377508.db2.gz PREQXFMFDFIPRP-RKDXNWHRSA-N 2 0 337.208 3.266 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422956587 309378032 /nfs/dbraw/zinc/37/80/32/309378032.db2.gz LMUAWBXTHXMFEY-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957866 309378270 /nfs/dbraw/zinc/37/82/70/309378270.db2.gz VNOFMFLKONNUON-HZPDHXFCSA-N 2 0 330.501 3.245 20 0 EGADRP COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)O[C@H](C)C2 ZINC000422968016 309378677 /nfs/dbraw/zinc/37/86/77/309378677.db2.gz QJFSJQGFHBYOPJ-OLZOCXBDSA-N 2 0 341.455 3.032 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1 ZINC000422981285 309379324 /nfs/dbraw/zinc/37/93/24/309379324.db2.gz NPXZVRBYYIHGAH-BSIFCXSSSA-N 2 0 338.451 3.299 20 0 EGADRP CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422977602 309379368 /nfs/dbraw/zinc/37/93/68/309379368.db2.gz FYLUONVGFUKTMZ-UIAACRFSSA-N 2 0 332.488 3.363 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000422996656 309380038 /nfs/dbraw/zinc/38/00/38/309380038.db2.gz MPPJAMTVRMNHFU-SMDDNHRTSA-N 2 0 331.685 3.362 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000423008579 309380645 /nfs/dbraw/zinc/38/06/45/309380645.db2.gz AKUJBFJAKVXDGO-FVJLSDCUSA-N 2 0 326.484 3.422 20 0 EGADRP CCN1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012904 309380930 /nfs/dbraw/zinc/38/09/30/309380930.db2.gz DZVIYCMCGHFUMR-DQYPLSBCSA-N 2 0 327.875 3.331 20 0 EGADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423017227 309381251 /nfs/dbraw/zinc/38/12/51/309381251.db2.gz VZGSBUZYQCLADE-QUDVFMAMSA-N 2 0 341.503 3.062 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000423027892 309381732 /nfs/dbraw/zinc/38/17/32/309381732.db2.gz FKEIPTFYIBSELG-LHBDJYESSA-N 3 0 327.516 3.147 20 0 EGADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423029745 309381870 /nfs/dbraw/zinc/38/18/70/309381870.db2.gz VIHWSHBRTCVPHW-DTDBQYNISA-N 2 0 339.886 3.189 20 0 EGADRP C[C@@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C1C[NH2+]C1 ZINC000423044517 309382873 /nfs/dbraw/zinc/38/28/73/309382873.db2.gz ASLPFSJPHLYREC-PSLIRLAXSA-N 2 0 327.241 3.237 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423049669 309383002 /nfs/dbraw/zinc/38/30/02/309383002.db2.gz KELYIDBKAHRKOV-SLYNCCJLSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@@H]([NH2+][C@H](Cc1cccc(Br)c1)CC1CC1)C1C[NH2+]C1 ZINC000423053207 309383150 /nfs/dbraw/zinc/38/31/50/309383150.db2.gz RNPPRCZTRYFZJZ-PXAZEXFGSA-N 2 0 337.305 3.358 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423057146 309383506 /nfs/dbraw/zinc/38/35/06/309383506.db2.gz ZHAHOJVKRKNUJM-CZUORRHYSA-N 2 0 331.426 3.415 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423057145 309383584 /nfs/dbraw/zinc/38/35/84/309383584.db2.gz ZHAHOJVKRKNUJM-CJNGLKHVSA-N 2 0 331.426 3.415 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066256 309384182 /nfs/dbraw/zinc/38/41/82/309384182.db2.gz DGWHAEUZBGUDOS-MISXGVKJSA-N 2 0 344.286 3.204 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000423082600 309384932 /nfs/dbraw/zinc/38/49/32/309384932.db2.gz DNYMOQAKNQNMHN-UHFFFAOYSA-N 2 0 326.488 3.357 20 0 EGADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423081953 309385034 /nfs/dbraw/zinc/38/50/34/309385034.db2.gz VZIJVWSOTGCGDQ-XRXFAXGQSA-N 2 0 330.516 3.128 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423090653 309385462 /nfs/dbraw/zinc/38/54/62/309385462.db2.gz YAEGEHCIRSQBMX-HNAYVOBHSA-N 2 0 326.488 3.214 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccc1I ZINC000423092816 309385590 /nfs/dbraw/zinc/38/55/90/309385590.db2.gz DOGCSRMAPAYEPM-LBPRGKRZSA-N 2 0 346.256 3.207 20 0 EGADRP [NH3+]CC1CCC([NH2+]Cc2cc(F)c(F)cc2Br)CC1 ZINC000423111609 309386565 /nfs/dbraw/zinc/38/65/65/309386565.db2.gz QROAUIWSTBVDTN-UHFFFAOYSA-N 2 0 333.220 3.334 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423116539 309386707 /nfs/dbraw/zinc/38/67/07/309386707.db2.gz QHGJZDFSWFMPMD-FBBABVLZSA-N 2 0 342.483 3.181 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](C)C3C[NH2+]C3)cc2)c1 ZINC000423113449 309386746 /nfs/dbraw/zinc/38/67/46/309386746.db2.gz YYZQPALGOUNGIL-CQSZACIVSA-N 2 0 342.439 3.194 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423121815 309386995 /nfs/dbraw/zinc/38/69/95/309386995.db2.gz JCGLVUHCRNCTKJ-DBVUQKKJSA-N 2 0 333.520 3.197 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(Cl)c1OC ZINC000423127344 309387228 /nfs/dbraw/zinc/38/72/28/309387228.db2.gz BWOBTBWTMKPNKP-UONOGXRCSA-N 2 0 326.868 3.007 20 0 EGADRP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423130093 309387341 /nfs/dbraw/zinc/38/73/41/309387341.db2.gz YCRGMORFYLTPHZ-UQASEVPWSA-N 2 0 336.435 3.008 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423129650 309387358 /nfs/dbraw/zinc/38/73/58/309387358.db2.gz XMNIFHXZHYYMMX-GUDVDZBRSA-N 2 0 328.504 3.001 20 0 EGADRP c1c2ccccc2sc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423133952 309387649 /nfs/dbraw/zinc/38/76/49/309387649.db2.gz LPMDNOUXQSSZEW-OKZBNKHCSA-N 2 0 330.497 3.191 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423143737 309388101 /nfs/dbraw/zinc/38/81/01/309388101.db2.gz XSGIFIVSXRCRAG-PCCBWWKXSA-N 2 0 346.515 3.250 20 0 EGADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423153312 309388606 /nfs/dbraw/zinc/38/86/06/309388606.db2.gz NCLOURSLKOISNE-LGYWMIHWSA-N 2 0 344.499 3.283 20 0 EGADRP Clc1cccc(CC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000423172229 309389161 /nfs/dbraw/zinc/38/91/61/309389161.db2.gz RVTGYUUORBGTFO-GUDVDZBRSA-N 2 0 348.918 3.409 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423188645 309389713 /nfs/dbraw/zinc/38/97/13/309389713.db2.gz LYAGSXOMFZMMHI-BURNTYAHSA-N 3 0 327.516 3.019 20 0 EGADRP C[C@H]([NH2+][C@H]1CCc2sc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000423221966 309391169 /nfs/dbraw/zinc/39/11/69/309391169.db2.gz YXQZAELOFGZMCH-NHCYSSNCSA-N 2 0 329.307 3.476 20 0 EGADRP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423217769 309390867 /nfs/dbraw/zinc/39/08/67/309390867.db2.gz UTANMGWPZMVZHU-IUODEOHRSA-N 2 0 339.277 3.252 20 0 EGADRP C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)[C@H]1CCC[NH2+]C1 ZINC000423222129 309391119 /nfs/dbraw/zinc/39/11/19/309391119.db2.gz ZUCKQPCVPXILCT-NUTKFTJISA-N 2 0 337.305 3.284 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000423223993 309391121 /nfs/dbraw/zinc/39/11/21/309391121.db2.gz BFSXPVVETVOXOS-BFIYSBSQSA-N 3 0 327.516 3.289 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423255491 309392462 /nfs/dbraw/zinc/39/24/62/309392462.db2.gz AFUDWMHSOATSHI-UYAOXDASSA-N 3 0 329.532 3.061 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423260484 309392813 /nfs/dbraw/zinc/39/28/13/309392813.db2.gz QEMLTAVMQZOTLK-GDBMZVCRSA-N 2 0 330.451 3.360 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423266585 309393182 /nfs/dbraw/zinc/39/31/82/309393182.db2.gz DJWNQMTYJUDMQK-KFKAGJAMSA-N 2 0 330.472 3.148 20 0 EGADRP C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268951 309393350 /nfs/dbraw/zinc/39/33/50/309393350.db2.gz VJIYXHSRTZZNCU-UZLBHIALSA-N 2 0 333.520 3.185 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423275639 309393678 /nfs/dbraw/zinc/39/36/78/309393678.db2.gz MBQQSAUGENGRNJ-GHTZIAJQSA-N 2 0 344.547 3.194 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423283434 309394010 /nfs/dbraw/zinc/39/40/10/309394010.db2.gz WDKOVXXBNSOVLP-SOUVJXGZSA-N 2 0 334.460 3.249 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000423333457 309395680 /nfs/dbraw/zinc/39/56/80/309395680.db2.gz PWPUJBFHHFDAIN-UHFFFAOYSA-N 3 0 329.532 3.409 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccsc1 ZINC000423339764 309396014 /nfs/dbraw/zinc/39/60/14/309396014.db2.gz WWXZMFAPJFLRBL-JKSUJKDBSA-N 2 0 337.533 3.025 20 0 EGADRP Brc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCS2 ZINC000423348449 309396303 /nfs/dbraw/zinc/39/63/03/309396303.db2.gz UCTQBPSFTAEZQM-CQSZACIVSA-N 2 0 339.302 3.495 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC000423348472 309396323 /nfs/dbraw/zinc/39/63/23/309396323.db2.gz TXDSRVMPTXZBNW-WSTZPKSXSA-N 2 0 330.472 3.148 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423357554 309396739 /nfs/dbraw/zinc/39/67/39/309396739.db2.gz IIMXDJFIWYBFSA-INIZCTEOSA-N 2 0 339.483 3.477 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423359835 309396949 /nfs/dbraw/zinc/39/69/49/309396949.db2.gz KZDLSTNMDDATLJ-SFNKJDCFSA-N 2 0 345.531 3.195 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000423377066 309397678 /nfs/dbraw/zinc/39/76/78/309397678.db2.gz VRFCAVOXKNBRGB-FDKIHUSFSA-N 3 0 327.516 3.289 20 0 EGADRP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423384178 309397990 /nfs/dbraw/zinc/39/79/90/309397990.db2.gz JYIHJWCYIVGVRC-IHPCNDPISA-N 2 0 329.532 3.265 20 0 EGADRP COCC1(C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CC[NH2+]CC1 ZINC000423395713 309398661 /nfs/dbraw/zinc/39/86/61/309398661.db2.gz ARKILMOHWXPNQF-QGZVFWFLSA-N 2 0 326.431 3.268 20 0 EGADRP COCC1(C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000423406052 309398985 /nfs/dbraw/zinc/39/89/85/309398985.db2.gz KDESWKDRCJNXPS-AWEZNQCLSA-N 2 0 344.421 3.242 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423420222 309399701 /nfs/dbraw/zinc/39/97/01/309399701.db2.gz AGTPNWPJYAFSOT-LWYYNNOASA-N 2 0 332.463 3.414 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423422641 309399723 /nfs/dbraw/zinc/39/97/23/309399723.db2.gz BUAMWWPXBGAJEM-DUFXMDAXSA-N 2 0 342.256 3.022 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423426069 309399894 /nfs/dbraw/zinc/39/98/94/309399894.db2.gz OZMSWFINRSIUED-QWFCFKBJSA-N 2 0 341.503 3.073 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423442064 309400611 /nfs/dbraw/zinc/40/06/11/309400611.db2.gz UTLALLOLNPDJTJ-VOQZNFBZSA-N 3 0 341.543 3.060 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000423452632 309400858 /nfs/dbraw/zinc/40/08/58/309400858.db2.gz ZJFRZDJDQBEXJS-IYWMVGAKSA-N 2 0 342.483 3.146 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423456772 309401086 /nfs/dbraw/zinc/40/10/86/309401086.db2.gz HCGMYNFVWWGBET-UXLLHSPISA-N 2 0 332.492 3.385 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Cl)c1 ZINC000423478785 309401783 /nfs/dbraw/zinc/40/17/83/309401783.db2.gz LMKUTOQYQAZRSC-BBRMVZONSA-N 2 0 347.894 3.412 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(I)cc1 ZINC000423492160 309402865 /nfs/dbraw/zinc/40/28/65/309402865.db2.gz LYKPVWKWHPJJDZ-MJVIPROJSA-N 2 0 344.240 3.069 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)C1 ZINC000423502932 309403409 /nfs/dbraw/zinc/40/34/09/309403409.db2.gz FRMNLKYZNHXHGJ-KDXIVRHGSA-N 2 0 341.543 3.375 20 0 EGADRP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539216 309405638 /nfs/dbraw/zinc/40/56/38/309405638.db2.gz HZBHNLVQLJXSNM-JRATXPSKSA-N 2 0 335.289 3.414 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1 ZINC000423738069 309411167 /nfs/dbraw/zinc/41/11/67/309411167.db2.gz BLRMQGIQFFUWOS-MRXNPFEDSA-N 2 0 331.504 3.290 20 0 EGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC[NH3+] ZINC000423762469 309411773 /nfs/dbraw/zinc/41/17/73/309411773.db2.gz QKFOOWNPRSXCDE-UHFFFAOYSA-N 2 0 346.302 3.013 20 0 EGADRP O=C(CCC1CC[NH2+]CC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423774275 309412124 /nfs/dbraw/zinc/41/21/24/309412124.db2.gz NREFOYPWSZQYNB-UHFFFAOYSA-N 2 0 329.488 3.043 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)CC1CCCCC1 ZINC000424147586 309430853 /nfs/dbraw/zinc/43/08/53/309430853.db2.gz RSQKQABSOBDFJV-UXHICEINSA-N 2 0 349.563 3.399 20 0 EGADRP Cc1ccc2cc([C@H](C)[NH2+]CCN3CCC([NH+](C)C)CC3)oc2c1 ZINC000426024581 309497840 /nfs/dbraw/zinc/49/78/40/309497840.db2.gz UIHXAVHUACOAOF-INIZCTEOSA-N 2 0 329.488 3.418 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000430568793 309611159 /nfs/dbraw/zinc/61/11/59/309611159.db2.gz GWKZFQWEIPRGPS-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP [NH3+]CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000430636002 309613639 /nfs/dbraw/zinc/61/36/39/309613639.db2.gz IFEDYYUXAUQWJO-NRFANRHFSA-N 2 0 343.515 3.095 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000430944727 309621746 /nfs/dbraw/zinc/62/17/46/309621746.db2.gz URGCNEUHKIXFLH-BXWFABGCSA-N 2 0 331.504 3.092 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000430964921 309622284 /nfs/dbraw/zinc/62/22/84/309622284.db2.gz JQVWTWSSFIYHDO-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000435380604 309730676 /nfs/dbraw/zinc/73/06/76/309730676.db2.gz RSEOUOVIOUXGCE-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000435388676 309731301 /nfs/dbraw/zinc/73/13/01/309731301.db2.gz IMTYJZVPHCKQSA-UHFFFAOYSA-N 2 0 349.276 3.010 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000448021630 309996286 /nfs/dbraw/zinc/99/62/86/309996286.db2.gz JRZOFAZLODDZBF-YLJYHZDGSA-N 2 0 347.547 3.398 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000449139276 310039678 /nfs/dbraw/zinc/03/96/78/310039678.db2.gz AIQLYRMTTIQOOR-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000449177024 310042412 /nfs/dbraw/zinc/04/24/12/310042412.db2.gz OGZFBCOZXZCDBD-RYRKJORJSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)nc1 ZINC000449214711 310045171 /nfs/dbraw/zinc/04/51/71/310045171.db2.gz YWJRLXXYQVAUFZ-GOSISDBHSA-N 2 0 338.499 3.013 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000449310764 310052237 /nfs/dbraw/zinc/05/22/37/310052237.db2.gz IILKRDWMUGVUKR-QZTJIDSGSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449409460 310059491 /nfs/dbraw/zinc/05/94/91/310059491.db2.gz UASMZDJDADBOCU-HSALFYBXSA-N 2 0 330.516 3.285 20 0 EGADRP CO[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000449499862 310067259 /nfs/dbraw/zinc/06/72/59/310067259.db2.gz MKVCAKPSTGMTAN-DYESRHJHSA-N 2 0 345.531 3.074 20 0 EGADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000449714817 310082201 /nfs/dbraw/zinc/08/22/01/310082201.db2.gz AEMLWOVEJCYMOM-CEXWTWQISA-N 2 0 330.516 3.284 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449747177 310084083 /nfs/dbraw/zinc/08/40/83/310084083.db2.gz VRCMHKRMIYPAKB-OAHLLOKOSA-N 2 0 339.474 3.074 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000450549522 310129514 /nfs/dbraw/zinc/12/95/14/310129514.db2.gz BWHKFQDNJXRETG-ZVDOUQERSA-N 2 0 329.532 3.456 20 0 EGADRP CCO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451551487 310185476 /nfs/dbraw/zinc/18/54/76/310185476.db2.gz XYHREWHEYLRTFD-WAPOTWQKSA-N 2 0 340.552 3.116 20 0 EGADRP C[N@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776553 310196727 /nfs/dbraw/zinc/19/67/27/310196727.db2.gz AOPWWNYMRDHHOY-UXHICEINSA-N 2 0 348.531 3.006 20 0 EGADRP CCC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCC1 ZINC000453092691 310257448 /nfs/dbraw/zinc/25/74/48/310257448.db2.gz NSCOCKUPYREBAD-IBGZPJMESA-N 2 0 331.504 3.036 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453106933 310258339 /nfs/dbraw/zinc/25/83/39/310258339.db2.gz JXHRJBHAQKXTKJ-MOPGFXCFSA-N 2 0 336.907 3.362 20 0 EGADRP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453112432 310258778 /nfs/dbraw/zinc/25/87/78/310258778.db2.gz CYFXZYRHYQCUCY-MTQWCTHYSA-N 2 0 348.556 3.133 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)C ZINC000453137415 310260369 /nfs/dbraw/zinc/26/03/69/310260369.db2.gz GILQMPQKADDGTE-GOSISDBHSA-N 2 0 333.520 3.282 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3cnccn3)[C@H]3CCC[C@@H]32)cc1 ZINC000453172463 310262146 /nfs/dbraw/zinc/26/21/46/310262146.db2.gz XWHWPTKGOHERNT-HKBOAZHASA-N 2 0 336.483 3.052 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000453208079 310264045 /nfs/dbraw/zinc/26/40/45/310264045.db2.gz AJWTZLVOHGDOTO-BURNTYAHSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000453209878 310264288 /nfs/dbraw/zinc/26/42/88/310264288.db2.gz BYCAVUFAUPZLSB-INIZCTEOSA-N 2 0 329.444 3.103 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453225469 310265065 /nfs/dbraw/zinc/26/50/65/310265065.db2.gz MTJSQXRSLBXUOZ-PWRODBHTSA-N 2 0 326.484 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455852016 310379483 /nfs/dbraw/zinc/37/94/83/310379483.db2.gz LSUYSYQJLCDJTN-HKUYNNGSSA-N 2 0 344.503 3.231 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455902903 310381754 /nfs/dbraw/zinc/38/17/54/310381754.db2.gz GNXRIKFSINNLIH-SFHVURJKSA-N 2 0 332.492 3.089 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000456207587 310393478 /nfs/dbraw/zinc/39/34/78/310393478.db2.gz SJARTEZVVZAXBF-UHFFFAOYSA-N 2 0 333.520 3.379 20 0 EGADRP CC(C)c1cc(NCCCC[NH+]2CCC(C)CC2)nc(N(C)C)[nH+]1 ZINC000462782797 310605612 /nfs/dbraw/zinc/60/56/12/310605612.db2.gz GFINIPKOZVNVKK-UHFFFAOYSA-N 2 0 333.524 3.012 20 0 EGADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000474709926 310798236 /nfs/dbraw/zinc/79/82/36/310798236.db2.gz FTNKUAUWCLEZMP-TZIWHRDSSA-N 2 0 346.515 3.456 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000482885900 310938662 /nfs/dbraw/zinc/93/86/62/310938662.db2.gz MTQOOQNKZANXQY-RTWAWAEBSA-N 2 0 332.532 3.326 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)c1ccccc1C[NH+](C)C ZINC000487384005 311021680 /nfs/dbraw/zinc/02/16/80/311021680.db2.gz YZETUOFSNJUCAG-UHFFFAOYSA-N 2 0 325.456 3.105 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000487430374 311023258 /nfs/dbraw/zinc/02/32/58/311023258.db2.gz LOOCLOFVYIBWKQ-WFXMLNOXSA-N 2 0 345.531 3.367 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cccnc2OC)CC1)CC1CC1 ZINC000488096099 311051079 /nfs/dbraw/zinc/05/10/79/311051079.db2.gz DESCIXCPSVIYEV-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000489936829 311126061 /nfs/dbraw/zinc/12/60/61/311126061.db2.gz SHTOCPXCAFKTAL-UWHLTILDSA-N 2 0 328.500 3.446 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc3c(c2)CCCC3)ccn1 ZINC000491361502 311175176 /nfs/dbraw/zinc/17/51/76/311175176.db2.gz PXKRUXLRZTVYEF-UHFFFAOYSA-N 2 0 339.483 3.191 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)NC(=O)OC(C)(C)C ZINC000494555429 311489076 /nfs/dbraw/zinc/48/90/76/311489076.db2.gz QRNQZHSUKDVRQY-LSDHHAIUSA-N 2 0 339.524 3.285 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494660786 311500852 /nfs/dbraw/zinc/50/08/52/311500852.db2.gz YKBRLJBAVWYYGV-LSDHHAIUSA-N 2 0 327.513 3.142 20 0 EGADRP CCOc1c(Cl)cccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000494972969 311528235 /nfs/dbraw/zinc/52/82/35/311528235.db2.gz AEZOEEVQILKJCW-UHFFFAOYSA-N 2 0 340.895 3.281 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000496930449 311787469 /nfs/dbraw/zinc/78/74/69/311787469.db2.gz YCNOZJILHIOLHZ-UHFFFAOYSA-N 2 0 347.503 3.143 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000506948746 312055912 /nfs/dbraw/zinc/05/59/12/312055912.db2.gz XZNGYQDFFRBULV-UHFFFAOYSA-N 2 0 346.515 3.266 20 0 EGADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1C ZINC000507720182 312081095 /nfs/dbraw/zinc/08/10/95/312081095.db2.gz DMOZKNRMEVVZJC-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000507721278 312081237 /nfs/dbraw/zinc/08/12/37/312081237.db2.gz AZXQSVFJWFNOFU-UHFFFAOYSA-N 2 0 327.472 3.429 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714077 312100774 /nfs/dbraw/zinc/10/07/74/312100774.db2.gz GWDNDPFSPRVICJ-WJMWBRGCSA-N 2 0 330.516 3.428 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000512266414 312181201 /nfs/dbraw/zinc/18/12/01/312181201.db2.gz SYIWOQFJORXJQO-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOCC4CC4)[C@H]3C2)cc1 ZINC000512643731 312191131 /nfs/dbraw/zinc/19/11/31/312191131.db2.gz XYZYBEKFMRNBRD-ACRUOGEOSA-N 2 0 328.500 3.303 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513815868 312218272 /nfs/dbraw/zinc/21/82/72/312218272.db2.gz CLCYMXAMHAOKBU-UHFFFAOYSA-N 2 0 340.870 3.413 20 0 EGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000514727276 312241747 /nfs/dbraw/zinc/24/17/47/312241747.db2.gz RLIVZYXVFSAEFP-SFHVURJKSA-N 2 0 325.456 3.472 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000515777194 312297367 /nfs/dbraw/zinc/29/73/67/312297367.db2.gz YZQOEKNNMXCWJK-CIAFKFPVSA-N 2 0 341.543 3.361 20 0 EGADRP CN1CC[NH+](CCCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516063091 312307099 /nfs/dbraw/zinc/30/70/99/312307099.db2.gz LWBNJNSZEPDSOW-FQEVSTJZSA-N 2 0 347.572 3.022 20 0 EGADRP C[C@@H](CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)n1ccnc1 ZINC000516870705 312347051 /nfs/dbraw/zinc/34/70/51/312347051.db2.gz LALZJWWHUFONCF-KRWDZBQOSA-N 2 0 332.492 3.091 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C1 ZINC000520762764 312519371 /nfs/dbraw/zinc/51/93/71/312519371.db2.gz QHVUFUHZINXLFY-NVXWUHKLSA-N 2 0 335.517 3.129 20 0 EGADRP COCCC1CC[NH+]([C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000527937511 312977821 /nfs/dbraw/zinc/97/78/21/312977821.db2.gz VNAALDNLANVKJF-KRWDZBQOSA-N 2 0 334.504 3.437 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000528392457 313082035 /nfs/dbraw/zinc/08/20/35/313082035.db2.gz CZIBTKVNMMGDIX-QUCCMNQESA-N 2 0 334.479 3.047 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(F)cn2)cc1 ZINC000529531177 313346282 /nfs/dbraw/zinc/34/62/82/313346282.db2.gz KZAYXBOQQOBALA-UHFFFAOYSA-N 2 0 331.435 3.231 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCc3ccccc32)c2ccccc2)CC1 ZINC000532498232 313807048 /nfs/dbraw/zinc/80/70/48/313807048.db2.gz MTXZVJOKZJDLHB-VXKWHMMOSA-N 2 0 335.495 3.252 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000539070499 314293952 /nfs/dbraw/zinc/29/39/52/314293952.db2.gz LZWXOIAIEKCCOD-UWJYYQICSA-N 2 0 330.516 3.128 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)[C@H](C)C1 ZINC000539088513 314296093 /nfs/dbraw/zinc/29/60/93/314296093.db2.gz VLNSSKMEQLOSRA-AYWYSENESA-N 2 0 330.516 3.344 20 0 EGADRP CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540175899 314367850 /nfs/dbraw/zinc/36/78/50/314367850.db2.gz KNTQUMMOLJSCHM-ICSRJNTNSA-N 2 0 345.531 3.427 20 0 EGADRP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000540593813 314390710 /nfs/dbraw/zinc/39/07/10/314390710.db2.gz QTPPKCDYFAIBFV-OAHLLOKOSA-N 2 0 330.472 3.411 20 0 EGADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000543943339 314664566 /nfs/dbraw/zinc/66/45/66/314664566.db2.gz RYMCWGKKPINQGX-HNNXBMFYSA-N 2 0 326.488 3.491 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cccc(F)c3[C@H]2C)CC1 ZINC000548844643 315054570 /nfs/dbraw/zinc/05/45/70/315054570.db2.gz UXRAANGXDQDNTI-QGZVFWFLSA-N 2 0 333.495 3.161 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000551210933 315145144 /nfs/dbraw/zinc/14/51/44/315145144.db2.gz CSCBRZRVVOAHMJ-UYAOXDASSA-N 2 0 332.488 3.064 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000551223749 315145966 /nfs/dbraw/zinc/14/59/66/315145966.db2.gz WPXJGWWOQAABNG-BJLQDIEVSA-N 2 0 345.531 3.182 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)[C@@H](c2ccccc2)C1 ZINC000554049423 315295500 /nfs/dbraw/zinc/29/55/00/315295500.db2.gz QYVCRNRHVVTBEN-NJDAHSKKSA-N 2 0 327.516 3.143 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612253 315394520 /nfs/dbraw/zinc/39/45/20/315394520.db2.gz WFCKTFCDESQZRU-FPOVZHCZSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000563214815 315979350 /nfs/dbraw/zinc/97/93/50/315979350.db2.gz BSGMUIKMETVVGX-YJLNNSPDSA-N 2 0 341.455 3.231 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cc2s1 ZINC000563462288 316025996 /nfs/dbraw/zinc/02/59/96/316025996.db2.gz VVPNRAHXPMJVFL-WMZOPIPTSA-N 2 0 345.512 3.323 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nccn2Cc2ccccc2)c2ccccc21 ZINC000563528330 316033451 /nfs/dbraw/zinc/03/34/51/316033451.db2.gz XVCVEQQOYQETCA-UXHICEINSA-N 2 0 332.451 3.208 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000564587875 316171791 /nfs/dbraw/zinc/17/17/91/316171791.db2.gz ODGBFRGMAFNJGI-ILRDRHFLSA-N 2 0 331.479 3.417 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000564829313 316213425 /nfs/dbraw/zinc/21/34/25/316213425.db2.gz SCZHHKUSBGQOOF-BHIYHBOVSA-N 2 0 343.515 3.029 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000564825603 316213625 /nfs/dbraw/zinc/21/36/25/316213625.db2.gz VTMOGEMCYIHFOG-QKNQBKEWSA-N 2 0 344.499 3.163 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565315064 316308892 /nfs/dbraw/zinc/30/88/92/316308892.db2.gz LIBULCGCKCMNGF-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP Brc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000565539194 316337487 /nfs/dbraw/zinc/33/74/87/316337487.db2.gz KWCZGDLAHRWZFX-LBPRGKRZSA-N 2 0 329.307 3.332 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565886137 316383774 /nfs/dbraw/zinc/38/37/74/316383774.db2.gz IBZXZRBQXIGARF-KLZNWCGWSA-N 2 0 349.906 3.343 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2sccc2Br)CC[NH2+]CC1 ZINC000566092471 316414967 /nfs/dbraw/zinc/41/49/67/316414967.db2.gz VNLJTBRNOFTDPN-LLVKDONJSA-N 2 0 347.322 3.177 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000566355608 316461199 /nfs/dbraw/zinc/46/11/99/316461199.db2.gz DWJBWAMUODVUTI-LBPRGKRZSA-N 2 0 343.393 3.093 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000570088230 317005560 /nfs/dbraw/zinc/00/55/60/317005560.db2.gz CEHZDOLLBOTDFD-UGSOOPFHSA-N 2 0 345.874 3.392 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000570088227 317005637 /nfs/dbraw/zinc/00/56/37/317005637.db2.gz CEHZDOLLBOTDFD-ACJLOTCBSA-N 2 0 345.874 3.392 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000571175377 317162343 /nfs/dbraw/zinc/16/23/43/317162343.db2.gz GKANBNUHKADKDO-BRWVUGGUSA-N 2 0 344.421 3.244 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000573859060 317535837 /nfs/dbraw/zinc/53/58/37/317535837.db2.gz BJPNVRHLLGZELA-RXVVDRJESA-N 2 0 348.450 3.443 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000574399406 317593955 /nfs/dbraw/zinc/59/39/55/317593955.db2.gz DGZYMODSYRYEKK-DOTOQJQBSA-N 2 0 340.471 3.428 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000236805023 456187355 /nfs/dbraw/zinc/18/73/55/456187355.db2.gz WAVRIXXPHYOMIH-DLBZAZTESA-N 2 0 339.911 3.357 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccoc1 ZINC000177924689 323347894 /nfs/dbraw/zinc/34/78/94/323347894.db2.gz SXWNCXWAHWGZSW-FXAWDEMLSA-N 2 0 327.472 3.309 20 0 EGADRP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CCC1 ZINC000387371627 324271475 /nfs/dbraw/zinc/27/14/75/324271475.db2.gz IHJIAVSCDSDTEL-WOJBJXKFSA-N 2 0 327.516 3.258 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[C@@H]1CCCC[NH+]1C ZINC000397985282 324294530 /nfs/dbraw/zinc/29/45/30/324294530.db2.gz ODTYVCMIDANMRG-GIVPXCGWSA-N 2 0 329.532 3.361 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)C1 ZINC000576924967 324707474 /nfs/dbraw/zinc/70/74/74/324707474.db2.gz CXUSLQYIFSJOAF-RBUKOAKNSA-N 2 0 343.446 3.092 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578247721 324942687 /nfs/dbraw/zinc/94/26/87/324942687.db2.gz GGZIFOGXFXLXJO-HOTGVXAUSA-N 2 0 327.428 3.242 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000578503685 324978460 /nfs/dbraw/zinc/97/84/60/324978460.db2.gz GGUVZWHXJCUTCW-ROUUACIJSA-N 2 0 345.874 3.067 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2ccc(Br)cc2F)C1 ZINC000579613801 325136642 /nfs/dbraw/zinc/13/66/42/325136642.db2.gz DIGUMLPZLRXBJB-ZIAGYGMSSA-N 2 0 329.257 3.380 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000580567666 325268826 /nfs/dbraw/zinc/26/88/26/325268826.db2.gz HOKUTWDAZBDPPX-OALUTQOASA-N 2 0 331.504 3.051 20 0 EGADRP CC(C)[NH+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000581009551 325320715 /nfs/dbraw/zinc/32/07/15/325320715.db2.gz DJZWCPAZIVLGFZ-SFHVURJKSA-N 2 0 333.520 3.338 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000581062526 325325953 /nfs/dbraw/zinc/32/59/53/325325953.db2.gz HJXJBZRQBIPLAH-CZAAIQMYSA-N 2 0 348.506 3.362 20 0 EGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000581543346 325370118 /nfs/dbraw/zinc/37/01/18/325370118.db2.gz CMENEVHSFUUQEJ-UXHICEINSA-N 2 0 348.531 3.001 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C ZINC000180707416 455230877 /nfs/dbraw/zinc/23/08/77/455230877.db2.gz BFOVVUUFIPVNES-IUODEOHRSA-N 2 0 334.851 3.005 20 0 EGADRP Brc1cccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000157936468 455250496 /nfs/dbraw/zinc/25/04/96/455250496.db2.gz ZDNMXYXVBBIIKN-HUUCEWRRSA-N 2 0 339.277 3.044 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000181006359 455275331 /nfs/dbraw/zinc/27/53/31/455275331.db2.gz LXGUEJDYJWISKE-LMNJBCLMSA-N 2 0 343.515 3.030 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)co2)c1 ZINC000631828863 460574823 /nfs/dbraw/zinc/57/48/23/460574823.db2.gz AJUWVSQBLJMBTL-HNNXBMFYSA-N 2 0 341.455 3.314 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000159181206 455357966 /nfs/dbraw/zinc/35/79/66/455357966.db2.gz MZGHOMDRIRYADB-FFZOFVMBSA-N 2 0 334.504 3.219 20 0 EGADRP CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075022710 453853907 /nfs/dbraw/zinc/85/39/07/453853907.db2.gz VRGPGNLUTNSLJQ-PXNSSMCTSA-N 2 0 343.515 3.019 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2SC)C1 ZINC000081572900 453889969 /nfs/dbraw/zinc/88/99/69/453889969.db2.gz WBXNXFJGHDLEFO-MRXNPFEDSA-N 2 0 349.544 3.401 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000068118747 453998823 /nfs/dbraw/zinc/99/88/23/453998823.db2.gz JBWALWPAGABSLB-MSOLQXFVSA-N 2 0 343.515 3.133 20 0 EGADRP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056525374 454065106 /nfs/dbraw/zinc/06/51/06/454065106.db2.gz HUMJHZBZDJIEAG-QGZVFWFLSA-N 2 0 345.531 3.090 20 0 EGADRP COc1cc(C[NH2+]CCCn2ccnc2C)c(SC)cc1OC ZINC000265927712 455408621 /nfs/dbraw/zinc/40/86/21/455408621.db2.gz CVPAEBKDAJNURU-UHFFFAOYSA-N 2 0 335.473 3.111 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000044292143 454094601 /nfs/dbraw/zinc/09/46/01/454094601.db2.gz VQPRHKUCYHWTGE-UHFFFAOYSA-N 2 0 332.492 3.134 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000044517660 454104808 /nfs/dbraw/zinc/10/48/08/454104808.db2.gz UKLWUFLZBUCJNB-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)n1 ZINC000089551300 454161933 /nfs/dbraw/zinc/16/19/33/454161933.db2.gz CXLRCLWGGHUCPZ-HDMKZQKVSA-N 2 0 342.487 3.160 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555984 454162311 /nfs/dbraw/zinc/16/23/11/454162311.db2.gz FVNKEJNMRBTLAD-DVOMOZLQSA-N 2 0 348.878 3.251 20 0 EGADRP CCc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000089603369 454166815 /nfs/dbraw/zinc/16/68/15/454166815.db2.gz QNOLKKRQCPBJLL-KRWDZBQOSA-N 2 0 325.456 3.462 20 0 EGADRP CC/C=C/CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000184684026 455426987 /nfs/dbraw/zinc/42/69/87/455426987.db2.gz KDDBCGMPZPEYLF-ONEGZZNKSA-N 2 0 335.536 3.047 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000095419941 454207184 /nfs/dbraw/zinc/20/71/84/454207184.db2.gz DIDRNYYIWGIEIW-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP FC(F)(F)CN1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000095967348 454242611 /nfs/dbraw/zinc/24/26/11/454242611.db2.gz JYMXEBWVVKVEJO-OAHLLOKOSA-N 2 0 347.469 3.257 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000120191175 454269451 /nfs/dbraw/zinc/26/94/51/454269451.db2.gz DQLLUCHYOZPVQT-IERDGZPVSA-N 2 0 342.458 3.286 20 0 EGADRP C1C[C@@]2(CS1)C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000090542456 454318323 /nfs/dbraw/zinc/31/83/23/454318323.db2.gz KVEGZNCBSUKSCV-HKUYNNGSSA-N 2 0 338.561 3.428 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000090586744 454324265 /nfs/dbraw/zinc/32/42/65/454324265.db2.gz WXOXMPJTBXPOQO-LJQANCHMSA-N 2 0 344.547 3.004 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132339135 454330808 /nfs/dbraw/zinc/33/08/08/454330808.db2.gz DCZNNTGPSIGHNH-VQIMIIECSA-N 2 0 335.561 3.331 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)N1CC[NH+](C)CC1 ZINC000132454084 454340561 /nfs/dbraw/zinc/34/05/61/454340561.db2.gz IXJLNQYSPJEYSH-MSOLQXFVSA-N 2 0 333.520 3.155 20 0 EGADRP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000090891516 454349872 /nfs/dbraw/zinc/34/98/72/454349872.db2.gz ZFSMKOVRVWXNFP-FQEVSTJZSA-N 2 0 334.479 3.420 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000090937112 454353433 /nfs/dbraw/zinc/35/34/33/454353433.db2.gz CYRTVIIXOQSTFO-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP Cc1cnccc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000120875161 454358950 /nfs/dbraw/zinc/35/89/50/454358950.db2.gz PARDJHLUIGEOAV-INIZCTEOSA-N 2 0 326.444 3.422 20 0 EGADRP C[C@H]1OCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000121098856 454391315 /nfs/dbraw/zinc/39/13/15/454391315.db2.gz VNMRGUVAPDSATP-WIYYLYMNSA-N 2 0 330.516 3.488 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000091306340 454425186 /nfs/dbraw/zinc/42/51/86/454425186.db2.gz FUXSTGNRPOKYRX-IRXDYDNUSA-N 2 0 344.421 3.449 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000121374951 454427152 /nfs/dbraw/zinc/42/71/52/454427152.db2.gz WXAYXPKNUHMSCL-IFMALSPDSA-N 2 0 345.575 3.425 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121416661 454433145 /nfs/dbraw/zinc/43/31/45/454433145.db2.gz DNCOKJSXBHMPMG-IAGOWNOFSA-N 2 0 344.503 3.119 20 0 EGADRP C[NH+](C)C1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC000063640050 454433480 /nfs/dbraw/zinc/43/34/80/454433480.db2.gz WOWBGPGHPHUBNG-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000063654644 454434310 /nfs/dbraw/zinc/43/43/10/454434310.db2.gz NTVMRWGCTLFLLC-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000091453624 454436713 /nfs/dbraw/zinc/43/67/13/454436713.db2.gz CJVZHZCGIJFUIN-INIZCTEOSA-N 2 0 325.456 3.233 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121538249 454448357 /nfs/dbraw/zinc/44/83/57/454448357.db2.gz CUSFAWGTQUTBCV-IHPCNDPISA-N 2 0 344.499 3.064 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000063781874 454448599 /nfs/dbraw/zinc/44/85/99/454448599.db2.gz HELOONODWLWFMA-GOSISDBHSA-N 2 0 345.531 3.380 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C[NH+]1CCCCC1 ZINC000064301220 454471143 /nfs/dbraw/zinc/47/11/43/454471143.db2.gz SGGSRKXCDILWIW-GOSISDBHSA-N 2 0 343.515 3.134 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccco1 ZINC000101660467 454480224 /nfs/dbraw/zinc/48/02/24/454480224.db2.gz PVBBXYFKJLZLNO-YYIAUSFCSA-N 2 0 335.492 3.040 20 0 EGADRP CCC[NH+](CCC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079873404 454492437 /nfs/dbraw/zinc/49/24/37/454492437.db2.gz HLDVOLYCJQVMAP-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000122489334 454538479 /nfs/dbraw/zinc/53/84/79/454538479.db2.gz TXDVEBYRNSBNFL-IBGZPJMESA-N 2 0 331.548 3.216 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000134563678 454561162 /nfs/dbraw/zinc/56/11/62/454561162.db2.gz JMPVINRBURNLNK-JXFKEZNVSA-N 2 0 329.488 3.389 20 0 EGADRP CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCC[NH2+]1 ZINC000134587081 454563993 /nfs/dbraw/zinc/56/39/93/454563993.db2.gz VSWKUKBZSXPUAL-IBGZPJMESA-N 2 0 347.528 3.015 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000104832649 454606185 /nfs/dbraw/zinc/60/61/85/454606185.db2.gz QMXWGESMYZEWBZ-SFHVURJKSA-N 2 0 345.531 3.495 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000123236069 454619083 /nfs/dbraw/zinc/61/90/83/454619083.db2.gz UIVOPCMXXUHZGG-UHFFFAOYSA-N 2 0 344.455 3.052 20 0 EGADRP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123620259 454658296 /nfs/dbraw/zinc/65/82/96/454658296.db2.gz KDBKLOHDRDADBM-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000066139506 454659415 /nfs/dbraw/zinc/65/94/15/454659415.db2.gz KTTIAXYICDVECO-MRXNPFEDSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000123828618 454680206 /nfs/dbraw/zinc/68/02/06/454680206.db2.gz HTTFOUAXOBLPEL-UZLBHIALSA-N 2 0 340.467 3.281 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000152675970 454710709 /nfs/dbraw/zinc/71/07/09/454710709.db2.gz HKHUYFGUXNNGFQ-YYWHXJBOSA-N 2 0 328.500 3.335 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)ccc1F ZINC000124378594 454725867 /nfs/dbraw/zinc/72/58/67/454725867.db2.gz LCGBHGFVYUMFMA-LJQANCHMSA-N 2 0 339.474 3.279 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136323519 454735977 /nfs/dbraw/zinc/73/59/77/454735977.db2.gz BKDOSNVGOQGTDN-UEXGIBASSA-N 3 0 340.515 3.328 20 0 EGADRP C[C@H]([NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000124705139 454762240 /nfs/dbraw/zinc/76/22/40/454762240.db2.gz JYXDSGAXWAPGDL-XKMFVZKXSA-N 2 0 326.488 3.227 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000138078207 454788400 /nfs/dbraw/zinc/78/84/00/454788400.db2.gz VYPAYAJNRVLOPI-ZWKOTPCHSA-N 2 0 326.488 3.436 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccn(C)c2)CC1 ZINC000125024266 454790634 /nfs/dbraw/zinc/79/06/34/454790634.db2.gz QRMAXZQOWBIHKT-INIZCTEOSA-N 2 0 344.478 3.157 20 0 EGADRP CC[N@H+](CCC[NH+]1CCCCC1)CC1CCN(c2ccccn2)CC1 ZINC000125304858 454812334 /nfs/dbraw/zinc/81/23/34/454812334.db2.gz SGFBJFFNBCHBCF-UHFFFAOYSA-N 2 0 344.547 3.496 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163078550 454821551 /nfs/dbraw/zinc/82/15/51/454821551.db2.gz RBQDVUQIMXCYNB-OXQOHEQNSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239693 454832717 /nfs/dbraw/zinc/83/27/17/454832717.db2.gz FAPXZPGYVLJTOU-OAGDOXAWSA-N 3 0 329.532 3.358 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163929919 454869758 /nfs/dbraw/zinc/86/97/58/454869758.db2.gz HVJYAKLHDQNPAD-NQIIRXRSSA-N 3 0 329.532 3.492 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccs1 ZINC000177602531 454882440 /nfs/dbraw/zinc/88/24/40/454882440.db2.gz MBDKUPXHQMKDEB-WBVHZDCISA-N 2 0 349.544 3.122 20 0 EGADRP CCCC[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000164482247 454883511 /nfs/dbraw/zinc/88/35/11/454883511.db2.gz JEBDHTDTLFRGHW-GHTZIAJQSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1cccc(COc2ccc([C@H](C)NC[C@H](O)C[NH+](C)C)cc2)c1 ZINC000154390147 454891480 /nfs/dbraw/zinc/89/14/80/454891480.db2.gz BCSCHMYVIMAMLM-PXNSSMCTSA-N 2 0 342.483 3.147 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cnc2ccsc2c1)N1CC[NH+](C)CC1 ZINC000126543783 454901472 /nfs/dbraw/zinc/90/14/72/454901472.db2.gz IGAVANFTAHAUQT-CRAIPNDOSA-N 2 0 346.544 3.219 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000154538701 454906010 /nfs/dbraw/zinc/90/60/10/454906010.db2.gz BGWZKUKBXZUKDM-JOCHJYFZSA-N 2 0 343.559 3.323 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000165998157 454906332 /nfs/dbraw/zinc/90/63/32/454906332.db2.gz WULYBKUZSWBNJV-UZLBHIALSA-N 3 0 344.503 3.188 20 0 EGADRP C[C@@H]1C[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000166275423 454909978 /nfs/dbraw/zinc/90/99/78/454909978.db2.gz KXEZRBIIHMNXMG-UZLBHIALSA-N 2 0 345.506 3.047 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C)cc1 ZINC000177825906 454911240 /nfs/dbraw/zinc/91/12/40/454911240.db2.gz OJKRNLOTQNDTNM-FQEVSTJZSA-N 2 0 338.499 3.383 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000150983552 454921748 /nfs/dbraw/zinc/92/17/48/454921748.db2.gz NGKMTTATNUQNDI-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000177980265 454924824 /nfs/dbraw/zinc/92/48/24/454924824.db2.gz ZLBGCPPGFCPUCQ-IBGZPJMESA-N 2 0 326.488 3.428 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000151097381 454936715 /nfs/dbraw/zinc/93/67/15/454936715.db2.gz RNEWWALFUONOAF-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000127373502 454959043 /nfs/dbraw/zinc/95/90/43/454959043.db2.gz LUINDNGLIBOIFW-NRFANRHFSA-N 2 0 338.499 3.494 20 0 EGADRP COCCC[C@H](C)[NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000178535520 454960523 /nfs/dbraw/zinc/96/05/23/454960523.db2.gz ZEPCUDGXHHUXQR-ROUUACIJSA-N 2 0 334.504 3.291 20 0 EGADRP c1sc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1-c1ccncc1 ZINC000246474826 455496387 /nfs/dbraw/zinc/49/63/87/455496387.db2.gz QVOLFPDIGBJKLE-SJORKVTESA-N 2 0 342.512 3.354 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000155573039 455017981 /nfs/dbraw/zinc/01/79/81/455017981.db2.gz MTPLQJNJZKPQSF-RZQQEMMASA-N 2 0 333.495 3.065 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000155665454 455028132 /nfs/dbraw/zinc/02/81/32/455028132.db2.gz DLGMGAIRUZPYAW-RTBURBONSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000155719992 455036045 /nfs/dbraw/zinc/03/60/45/455036045.db2.gz IQNZADDPMVMVTI-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP Cc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000155897780 455058887 /nfs/dbraw/zinc/05/88/87/455058887.db2.gz XBUUQLVLAMLQQR-HDICACEKSA-N 2 0 331.504 3.101 20 0 EGADRP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000179827071 455085546 /nfs/dbraw/zinc/08/55/46/455085546.db2.gz GVGVGKRVWGCSCH-UHFFFAOYSA-N 2 0 326.488 3.251 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152390288 455111790 /nfs/dbraw/zinc/11/17/90/455111790.db2.gz FHQNWQUPGSFQOR-LSDHHAIUSA-N 2 0 342.487 3.105 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000152404871 455113967 /nfs/dbraw/zinc/11/39/67/455113967.db2.gz GRKVRFOZCKCVII-STQMWFEESA-N 2 0 340.414 3.432 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000152411604 455115459 /nfs/dbraw/zinc/11/54/59/455115459.db2.gz SCEYMCGAWXCYLM-CMKODMSKSA-N 2 0 330.516 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657173 460665956 /nfs/dbraw/zinc/66/59/56/460665956.db2.gz KUTFAXOZLOFRDX-PMACEKPBSA-N 2 0 329.532 3.361 20 0 EGADRP FC(F)(F)CN1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000152428174 455117779 /nfs/dbraw/zinc/11/77/79/455117779.db2.gz ALMCOMBWQYDNFC-OAHLLOKOSA-N 2 0 333.442 3.010 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000180058198 455124518 /nfs/dbraw/zinc/12/45/18/455124518.db2.gz UNFOJPKTCRLALN-HXUWFJFHSA-N 2 0 336.483 3.074 20 0 EGADRP CCCC[C@H](CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156955027 455158530 /nfs/dbraw/zinc/15/85/30/455158530.db2.gz DDBVYIOECOXSGF-PMACEKPBSA-N 2 0 345.531 3.442 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805907 455168527 /nfs/dbraw/zinc/16/85/27/455168527.db2.gz ZMCGOAOGXBRJNE-JTDSTZFVSA-N 2 0 333.545 3.376 20 0 EGADRP Cc1ccc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)ccc2n1 ZINC000189349459 455181455 /nfs/dbraw/zinc/18/14/55/455181455.db2.gz TYNFANUOBLAEDW-GOSISDBHSA-N 2 0 339.483 3.134 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237668568 455205336 /nfs/dbraw/zinc/20/53/36/455205336.db2.gz QSYBZGNBCZVABW-IEBWSBKVSA-N 2 0 331.504 3.237 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000237676157 455206734 /nfs/dbraw/zinc/20/67/34/455206734.db2.gz AOEKUMVNKFQYOF-OXJNMPFZSA-N 2 0 329.488 3.389 20 0 EGADRP CC(C)OC1CC([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000189528211 455214265 /nfs/dbraw/zinc/21/42/65/455214265.db2.gz BMMLTQBZPDBUCW-AMZMEHNNSA-N 2 0 346.515 3.341 20 0 EGADRP CC(C)OC(=O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000173628392 455319095 /nfs/dbraw/zinc/31/90/95/455319095.db2.gz KOWKDWLBZDRISL-UHFFFAOYSA-N 2 0 332.488 3.172 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183699964 455322342 /nfs/dbraw/zinc/32/23/42/455322342.db2.gz KQLQYNIOSGXSRR-UHFFFAOYSA-N 2 0 349.485 3.218 20 0 EGADRP CC[C@H](CSC)[N@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000245630431 455344648 /nfs/dbraw/zinc/34/46/48/455344648.db2.gz ZUTUYJUSSSVJGB-HZPDHXFCSA-N 2 0 335.517 3.087 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181501509 455345117 /nfs/dbraw/zinc/34/51/17/455345117.db2.gz KVJVLUSUDLDPOX-HOTGVXAUSA-N 2 0 345.487 3.118 20 0 EGADRP C[C@@H](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000184331325 455371754 /nfs/dbraw/zinc/37/17/54/455371754.db2.gz XBBSYYHYXBHMFW-INIZCTEOSA-N 2 0 339.524 3.240 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](CC3CCOCC3)CC2)c1C ZINC000181912742 455398821 /nfs/dbraw/zinc/39/88/21/455398821.db2.gz FFIKQJCASOPWFL-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181959480 455404659 /nfs/dbraw/zinc/40/46/59/455404659.db2.gz AROMSCQOSSJRRN-CQSZACIVSA-N 2 0 338.879 3.290 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000245948271 455404770 /nfs/dbraw/zinc/40/47/70/455404770.db2.gz KWBFVLLPONNTRP-OXQOHEQNSA-N 2 0 344.478 3.359 20 0 EGADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000182248623 455471713 /nfs/dbraw/zinc/47/17/13/455471713.db2.gz KZYPREAMJCCPJH-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@@H]1c2ccsc2CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191445095 455485491 /nfs/dbraw/zinc/48/54/91/455485491.db2.gz YXQXJOIUWJBHKT-GOSISDBHSA-N 2 0 335.561 3.473 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1)c1ccccc1 ZINC000601007945 460673891 /nfs/dbraw/zinc/67/38/91/460673891.db2.gz SNMKWTMQOCRZAY-MJGOQNOKSA-N 2 0 343.515 3.251 20 0 EGADRP C[C@@H](c1cccnc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000267331085 455540671 /nfs/dbraw/zinc/54/06/71/455540671.db2.gz AADTVMAIRBSOAG-KURKYZTESA-N 2 0 331.504 3.354 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000247050994 455552225 /nfs/dbraw/zinc/55/22/25/455552225.db2.gz OUTIOAMCMSDJPR-BBRMVZONSA-N 2 0 341.293 3.148 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182646577 455559962 /nfs/dbraw/zinc/55/99/62/455559962.db2.gz QNPIHLBIRZJPER-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000247138894 455564732 /nfs/dbraw/zinc/56/47/32/455564732.db2.gz WBGGPKDBIBWELF-UKAVVXHISA-N 2 0 329.532 3.450 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000247195847 455571248 /nfs/dbraw/zinc/57/12/48/455571248.db2.gz VZLXVSANRFIOFG-SVFBPWRDSA-N 3 0 344.547 3.004 20 0 EGADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000247231400 455576290 /nfs/dbraw/zinc/57/62/90/455576290.db2.gz YHYVEJUPXMVAEM-RXVVDRJESA-N 2 0 329.532 3.013 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2sccc2C[NH+](C)C)[NH+](C)C)cc1 ZINC000268005903 455578394 /nfs/dbraw/zinc/57/83/94/455578394.db2.gz FDIXSVNTCXTNBE-QGZVFWFLSA-N 2 0 345.512 3.151 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000268110150 455593043 /nfs/dbraw/zinc/59/30/43/455593043.db2.gz MAFDZERYLWTGID-LJQANCHMSA-N 2 0 347.478 3.351 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000277561313 455598230 /nfs/dbraw/zinc/59/82/30/455598230.db2.gz PKXFXOYFCFFQFU-HXUWFJFHSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@H](NCC(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702307 455601164 /nfs/dbraw/zinc/60/11/64/455601164.db2.gz HWHDBESCSSRRMK-DLBZAZTESA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCCC1 ZINC000247466346 455605657 /nfs/dbraw/zinc/60/56/57/455605657.db2.gz RKHVQIZFDANHGM-AABGKKOBSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCC2 ZINC000271450939 455641456 /nfs/dbraw/zinc/64/14/56/455641456.db2.gz DPFPFTWBTIFHGP-QHAWAJNXSA-N 2 0 328.500 3.340 20 0 EGADRP c1ccc(CSCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000192608778 455651949 /nfs/dbraw/zinc/65/19/49/455651949.db2.gz NHODNFAZDJTVCS-UHFFFAOYSA-N 2 0 348.556 3.497 20 0 EGADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000247892864 455653920 /nfs/dbraw/zinc/65/39/20/455653920.db2.gz FVRCKKKUKPTYRT-YYWHXJBOSA-N 2 0 347.547 3.398 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000247968195 455661815 /nfs/dbraw/zinc/66/18/15/455661815.db2.gz IOUDAQNYSZVOPJ-CTNGQTDRSA-N 2 0 344.547 3.004 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000247990309 455665714 /nfs/dbraw/zinc/66/57/14/455665714.db2.gz JHBSXUVUZIFRTG-LEWJYISDSA-N 2 0 330.516 3.143 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277818752 455676480 /nfs/dbraw/zinc/67/64/80/455676480.db2.gz QQMNYNFSSOJARZ-HXUWFJFHSA-N 2 0 330.516 3.178 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186107462 455695010 /nfs/dbraw/zinc/69/50/10/455695010.db2.gz OKXHCVSXSPJISY-ICSRJNTNSA-N 2 0 329.532 3.296 20 0 EGADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000248200501 455698323 /nfs/dbraw/zinc/69/83/23/455698323.db2.gz YNJHYJAIPULZOI-YJBOKZPZSA-N 2 0 326.431 3.242 20 0 EGADRP CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248462796 455716560 /nfs/dbraw/zinc/71/65/60/455716560.db2.gz QEMLVPMHQPRABV-FUHWJXTLSA-N 2 0 336.520 3.447 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000268888377 455719850 /nfs/dbraw/zinc/71/98/50/455719850.db2.gz JGFDOJSRHKSAEY-FQEVSTJZSA-N 2 0 337.511 3.360 20 0 EGADRP OCCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000269015695 455764138 /nfs/dbraw/zinc/76/41/38/455764138.db2.gz YPECNKSZIOJJMO-UHFFFAOYSA-N 2 0 330.516 3.226 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000271803758 455766190 /nfs/dbraw/zinc/76/61/90/455766190.db2.gz XYPNJALUBQQFIR-NJYVYQBISA-N 2 0 328.500 3.495 20 0 EGADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249744139 455771881 /nfs/dbraw/zinc/77/18/81/455771881.db2.gz BKDSTCHPAKNSSV-SQNIBIBYSA-N 2 0 345.531 3.311 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000249740835 455772140 /nfs/dbraw/zinc/77/21/40/455772140.db2.gz XUJSTOYVIMFJCZ-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000271815586 455772233 /nfs/dbraw/zinc/77/22/33/455772233.db2.gz BNGANRLYTJCITM-XUVXKRRUSA-N 2 0 326.484 3.330 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000249935775 455783858 /nfs/dbraw/zinc/78/38/58/455783858.db2.gz SBXRRGGRMJAEBJ-LPHOPBHVSA-N 2 0 335.923 3.155 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186569564 455795786 /nfs/dbraw/zinc/79/57/86/455795786.db2.gz SWGAQPCBDHHANL-MSOLQXFVSA-N 2 0 333.520 3.152 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC(F)F ZINC000271878969 455797124 /nfs/dbraw/zinc/79/71/24/455797124.db2.gz OXBNXDUVKCPMRG-LBPRGKRZSA-N 2 0 326.387 3.209 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186576776 455797472 /nfs/dbraw/zinc/79/74/72/455797472.db2.gz JJZLVSYJGSIYRV-NVXWUHKLSA-N 2 0 329.488 3.418 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616992321 460691776 /nfs/dbraw/zinc/69/17/76/460691776.db2.gz ROZJKGLOKSTZCE-SFHVURJKSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CCCCCC[NH3+])c1ccsc1 ZINC000269251554 455821556 /nfs/dbraw/zinc/82/15/56/455821556.db2.gz YNEFTLFDYUOVNC-INIZCTEOSA-N 2 0 325.522 3.156 20 0 EGADRP COCc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1OC ZINC000278340239 455822295 /nfs/dbraw/zinc/82/22/95/455822295.db2.gz CKAKJSOLAWNAIA-HNNXBMFYSA-N 2 0 332.488 3.367 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000252696222 455828515 /nfs/dbraw/zinc/82/85/15/455828515.db2.gz XOLVEYXOTWUOQE-JENIJYKNSA-N 2 0 329.488 3.047 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000285445108 455847636 /nfs/dbraw/zinc/84/76/36/455847636.db2.gz LRCGCXHBPHIORP-QGZVFWFLSA-N 2 0 326.488 3.393 20 0 EGADRP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000285490281 455857045 /nfs/dbraw/zinc/85/70/45/455857045.db2.gz AHBMSKPEKOERHG-KXJGTOPRSA-N 2 0 348.556 3.034 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187003931 455861040 /nfs/dbraw/zinc/86/10/40/455861040.db2.gz KFLIBLZVAURJDI-HKUYNNGSSA-N 2 0 347.572 3.456 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000186999259 455861318 /nfs/dbraw/zinc/86/13/18/455861318.db2.gz UICFZVTVUFEQSZ-LJQANCHMSA-N 2 0 347.572 3.458 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000187009329 455862156 /nfs/dbraw/zinc/86/21/56/455862156.db2.gz ACDUKMCFUIIPOU-DNVCBOLYSA-N 2 0 340.458 3.234 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000187135580 455872922 /nfs/dbraw/zinc/87/29/22/455872922.db2.gz YNXTZQKZJQVIBN-LNLFQRSKSA-N 2 0 338.536 3.155 20 0 EGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2C1 ZINC000194787299 455884040 /nfs/dbraw/zinc/88/40/40/455884040.db2.gz KCZXAAHKNOITOF-UHFFFAOYSA-N 2 0 341.499 3.471 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307520 455909732 /nfs/dbraw/zinc/90/97/32/455909732.db2.gz IDFXZKZSRCJZRL-BJLQDIEVSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261619928 455915323 /nfs/dbraw/zinc/91/53/23/455915323.db2.gz GGYRMEHXHFRZJP-GXTWGEPZSA-N 2 0 328.287 3.034 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000285786671 455915889 /nfs/dbraw/zinc/91/58/89/455915889.db2.gz UKLQZSJLPKXSTO-ZWKOTPCHSA-N 2 0 341.503 3.430 20 0 EGADRP Brc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261657039 455922261 /nfs/dbraw/zinc/92/22/61/455922261.db2.gz KDWQYGDRSXXLDD-KRWDZBQOSA-N 2 0 346.272 3.183 20 0 EGADRP Cc1nc2ccccc2n1C1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000280244107 455926098 /nfs/dbraw/zinc/92/60/98/455926098.db2.gz NSOBOUNWMFEKLZ-UHFFFAOYSA-N 2 0 337.427 3.442 20 0 EGADRP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261910004 455969483 /nfs/dbraw/zinc/96/94/83/455969483.db2.gz IVBBIKMTOBKBDK-KBRIMQKVSA-N 2 0 343.298 3.283 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261939406 455974371 /nfs/dbraw/zinc/97/43/71/455974371.db2.gz MZQGDUMQFZWACG-IBGZPJMESA-N 2 0 341.499 3.391 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)c2coc(C[NH3+])c2)c2cccs2)CC1 ZINC000188031524 455982796 /nfs/dbraw/zinc/98/27/96/455982796.db2.gz NPNIUJVJCZJDQU-MRXNPFEDSA-N 2 0 347.484 3.003 20 0 EGADRP COc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)C2CC2)c(OC)c1 ZINC000262039432 455989133 /nfs/dbraw/zinc/98/91/33/455989133.db2.gz YEKOHLRQFRXSLN-HOTGVXAUSA-N 2 0 332.488 3.304 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552996 455991747 /nfs/dbraw/zinc/99/17/47/455991747.db2.gz SUTYRUGQTMHDEG-LQWHRVPQSA-N 2 0 340.515 3.328 20 0 EGADRP C[C@@H](CO[C@@H]1CCOC1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286188343 455996422 /nfs/dbraw/zinc/99/64/22/455996422.db2.gz RDIWCWCRVMYLSC-VWEINGBSSA-N 2 0 346.515 3.213 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000262184842 456009629 /nfs/dbraw/zinc/00/96/29/456009629.db2.gz JBKATGWWXYDWJN-BRWVUGGUSA-N 2 0 348.487 3.113 20 0 EGADRP COCc1cccc(OCC2(C[N@H+](C)[C@H]3CCC[NH2+]CC3)CCC2)c1 ZINC000262196497 456010583 /nfs/dbraw/zinc/01/05/83/456010583.db2.gz ZOZFWYFLEIEQJL-IBGZPJMESA-N 2 0 346.515 3.456 20 0 EGADRP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCCC1 ZINC000272608839 456013214 /nfs/dbraw/zinc/01/32/14/456013214.db2.gz VSVRRUZENPWLBV-NJDAHSKKSA-N 2 0 342.527 3.429 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000286299345 456019095 /nfs/dbraw/zinc/01/90/95/456019095.db2.gz WOZLGXGQHYGNLS-ANULTFPQSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]1 ZINC000262445928 456037141 /nfs/dbraw/zinc/03/71/41/456037141.db2.gz UCZRKGHSMWCESD-ROUUACIJSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262644768 456049972 /nfs/dbraw/zinc/04/99/72/456049972.db2.gz NAHHHMKBPWHWLV-AOIWGVFYSA-N 2 0 345.531 3.258 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000262716340 456054576 /nfs/dbraw/zinc/05/45/76/456054576.db2.gz VMDJITNTTBEEMX-HXUWFJFHSA-N 2 0 331.504 3.196 20 0 EGADRP CCn1ccnc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000297144845 456131761 /nfs/dbraw/zinc/13/17/61/456131761.db2.gz ZRISLGPYWFHVHH-OAHLLOKOSA-N 2 0 342.491 3.002 20 0 EGADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272988844 456136841 /nfs/dbraw/zinc/13/68/41/456136841.db2.gz PTQZIFHORLDSRJ-QGZVFWFLSA-N 2 0 341.499 3.053 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000273024481 456149190 /nfs/dbraw/zinc/14/91/90/456149190.db2.gz XGNVHYSSAVGFOS-UWJYYQICSA-N 2 0 340.442 3.169 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271187680 456161252 /nfs/dbraw/zinc/16/12/52/456161252.db2.gz KIUXZNANRCHEIQ-QZTJIDSGSA-N 2 0 340.515 3.158 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C(CC)(CC)C[NH3+])c1ccsc1 ZINC000236873319 456194824 /nfs/dbraw/zinc/19/48/24/456194824.db2.gz ZHZSOGQFVXAAPK-OAHLLOKOSA-N 2 0 325.522 3.012 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2nccc(N(C)C)n2)C1 ZINC000301715576 456195540 /nfs/dbraw/zinc/19/55/40/456195540.db2.gz GQYQKYJFKPFXOZ-INIZCTEOSA-N 2 0 339.487 3.387 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1)C(C)C ZINC000263699097 456195681 /nfs/dbraw/zinc/19/56/81/456195681.db2.gz RUCRHGJNSRVRII-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)C[C@@H](CN1CCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297369932 456201927 /nfs/dbraw/zinc/20/19/27/456201927.db2.gz HNZFENDDLXDXFG-IBGZPJMESA-N 2 0 330.520 3.151 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000297369363 456202236 /nfs/dbraw/zinc/20/22/36/456202236.db2.gz GJGXDSMDPLWLNP-UWJYYQICSA-N 2 0 338.499 3.331 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273181733 456203762 /nfs/dbraw/zinc/20/37/62/456203762.db2.gz OLHVMJQSSXLLFZ-LJQANCHMSA-N 2 0 347.547 3.380 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281335695 456205482 /nfs/dbraw/zinc/20/54/82/456205482.db2.gz UHLDKRBLARZIPP-FQEVSTJZSA-N 2 0 343.446 3.402 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000273189368 456208078 /nfs/dbraw/zinc/20/80/78/456208078.db2.gz HUUAVXUZTKGJJQ-INIZCTEOSA-N 2 0 333.520 3.310 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000273204349 456213977 /nfs/dbraw/zinc/21/39/77/456213977.db2.gz JJKCHQZWPUPTSD-JKSUJKDBSA-N 2 0 335.492 3.090 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1C ZINC000273207046 456215144 /nfs/dbraw/zinc/21/51/44/456215144.db2.gz SGSHOURWNNFGBJ-ICSRJNTNSA-N 2 0 347.547 3.235 20 0 EGADRP Cc1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c(C[NH+](C)C)c1 ZINC000237036595 456222345 /nfs/dbraw/zinc/22/23/45/456222345.db2.gz OERCNGFNQDFBJT-GOSISDBHSA-N 2 0 325.456 3.475 20 0 EGADRP CCc1oc2ccccc2c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000237090093 456229995 /nfs/dbraw/zinc/22/99/95/456229995.db2.gz SGGRCOOFOVEUOG-UHFFFAOYSA-N 2 0 329.488 3.112 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000237092308 456232259 /nfs/dbraw/zinc/23/22/59/456232259.db2.gz QZAGWGZMNMOPDU-MQVJKMGUSA-N 2 0 339.524 3.094 20 0 EGADRP C[NH+](C)CCN(C(=O)CC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237113380 456234301 /nfs/dbraw/zinc/23/43/01/456234301.db2.gz OBJOOCIBYQOFTF-IBGZPJMESA-N 2 0 325.456 3.061 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1nc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000333579160 456236851 /nfs/dbraw/zinc/23/68/51/456236851.db2.gz NQAIPUREYCOJRN-ZDUSSCGKSA-N 2 0 346.862 3.354 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635253887 460721880 /nfs/dbraw/zinc/72/18/80/460721880.db2.gz OACNRNRYNYURSK-LJQANCHMSA-N 2 0 329.488 3.484 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352780675 456299652 /nfs/dbraw/zinc/29/96/52/456299652.db2.gz PVBTWRFJQVKXSM-ZDUSSCGKSA-N 2 0 347.484 3.044 20 0 EGADRP COC(=O)c1cc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)oc1C ZINC000352795755 456316529 /nfs/dbraw/zinc/31/65/29/456316529.db2.gz FFDQKZOYTYURME-KRWDZBQOSA-N 2 0 348.487 3.319 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000290420764 456323877 /nfs/dbraw/zinc/32/38/77/456323877.db2.gz USDCPAPOXLEJMQ-OXQOHEQNSA-N 2 0 340.515 3.161 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340233660 456328109 /nfs/dbraw/zinc/32/81/09/456328109.db2.gz ZRNINFLQIYDMMG-ZWKOTPCHSA-N 2 0 329.532 3.488 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824809 456339081 /nfs/dbraw/zinc/33/90/81/456339081.db2.gz NGOBKBJSLYUARB-FGZHOGPDSA-N 2 0 341.543 3.459 20 0 EGADRP C[C@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000298144482 456374115 /nfs/dbraw/zinc/37/41/15/456374115.db2.gz QZXXGPCDMVDYOE-WIYYLYMNSA-N 2 0 327.516 3.067 20 0 EGADRP CC[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000337568510 456387947 /nfs/dbraw/zinc/38/79/47/456387947.db2.gz BJYZBEYTEYYKNK-UXHICEINSA-N 2 0 345.531 3.055 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343093231 456401762 /nfs/dbraw/zinc/40/17/62/456401762.db2.gz GVJXGUOHQPKOLP-IBGZPJMESA-N 2 0 335.923 3.335 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1C(F)(F)F ZINC000282203719 456443523 /nfs/dbraw/zinc/44/35/23/456443523.db2.gz GZOYEZLNEZBOIO-CQSZACIVSA-N 2 0 343.437 3.382 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1(C)C ZINC000282222737 456447858 /nfs/dbraw/zinc/44/78/58/456447858.db2.gz IBYZCZLVJNEIHA-RBUKOAKNSA-N 2 0 329.532 3.184 20 0 EGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000340433606 456457314 /nfs/dbraw/zinc/45/73/14/456457314.db2.gz FMRQQXFEERCYNF-GJZGRUSLSA-N 2 0 340.895 3.328 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000303325306 456458407 /nfs/dbraw/zinc/45/84/07/456458407.db2.gz BNESIGGCWYAUMX-QGZVFWFLSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000353059497 456466758 /nfs/dbraw/zinc/46/67/58/456466758.db2.gz WNVXPLKHHFBRHZ-HRQSHJORSA-N 2 0 328.500 3.364 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000340471069 456479502 /nfs/dbraw/zinc/47/95/02/456479502.db2.gz BGILTYKKEIVOBV-NRFANRHFSA-N 2 0 340.515 3.410 20 0 EGADRP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000340490687 456488955 /nfs/dbraw/zinc/48/89/55/456488955.db2.gz OSYODIIBJOIFOG-QZTJIDSGSA-N 2 0 345.531 3.455 20 0 EGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000348126232 456501717 /nfs/dbraw/zinc/50/17/17/456501717.db2.gz PMYUTIWNFDMBSQ-QAPCUYQASA-N 2 0 329.492 3.284 20 0 EGADRP Fc1ccc(/C=C/CNc2ccc(Cn3ccnc3)cn2)c(F)c1 ZINC000353122047 456504365 /nfs/dbraw/zinc/50/43/65/456504365.db2.gz UGORTSJUTZWGJJ-OWOJBTEDSA-N 2 0 326.350 3.152 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000340523437 456509131 /nfs/dbraw/zinc/50/91/31/456509131.db2.gz DEHHOONHSPMSPJ-QUCCMNQESA-N 2 0 328.504 3.408 20 0 EGADRP COc1ncccc1CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000353142938 456519642 /nfs/dbraw/zinc/51/96/42/456519642.db2.gz AVPDODHWKMWPMP-UHFFFAOYSA-N 2 0 341.499 3.381 20 0 EGADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000282516786 456538901 /nfs/dbraw/zinc/53/89/01/456538901.db2.gz ZJTBKXDQBWKCPS-KRWDZBQOSA-N 2 0 325.447 3.032 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000343345678 456546707 /nfs/dbraw/zinc/54/67/07/456546707.db2.gz DXKHUUXVNBSOKE-GOSISDBHSA-N 2 0 343.515 3.133 20 0 EGADRP Cn1cc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C(F)F)n1 ZINC000291185352 456556822 /nfs/dbraw/zinc/55/68/22/456556822.db2.gz LIKDYIZCSBPBRB-MRXNPFEDSA-N 2 0 348.441 3.012 20 0 EGADRP Cn1cc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C(F)F)n1 ZINC000291185348 456557903 /nfs/dbraw/zinc/55/79/03/456557903.db2.gz LIKDYIZCSBPBRB-INIZCTEOSA-N 2 0 348.441 3.012 20 0 EGADRP COC[C@@H](CC(C)(C)C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000651741743 462321310 /nfs/dbraw/zinc/32/13/10/462321310.db2.gz UTTYLQOKSRNGOX-WBVHZDCISA-N 2 0 334.508 3.085 20 0 EGADRP CCc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000307770140 456570440 /nfs/dbraw/zinc/57/04/40/456570440.db2.gz LUCJTNCYFPGWHX-FQEVSTJZSA-N 2 0 325.456 3.347 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000282632370 456576035 /nfs/dbraw/zinc/57/60/35/456576035.db2.gz JTSSISOTXZFNAB-HXUWFJFHSA-N 2 0 333.495 3.379 20 0 EGADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000310139110 456580362 /nfs/dbraw/zinc/58/03/62/456580362.db2.gz MRIGONYSZPOZEI-SSSFQFABSA-N 2 0 328.500 3.444 20 0 EGADRP Cn1cc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)c(C(F)F)n1 ZINC000291305269 456599633 /nfs/dbraw/zinc/59/96/33/456599633.db2.gz XCAVERFHHLIBAJ-UHFFFAOYSA-N 2 0 348.441 3.284 20 0 EGADRP Cc1nccn1CCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282744544 456611048 /nfs/dbraw/zinc/61/10/48/456611048.db2.gz NIKGAFDSOPNEDH-SFHVURJKSA-N 2 0 333.863 3.226 20 0 EGADRP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000348324269 456623431 /nfs/dbraw/zinc/62/34/31/456623431.db2.gz PFHJLPNEEJVKIP-BGYRXZFFSA-N 2 0 349.478 3.079 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)CC1 ZINC000353328123 456641110 /nfs/dbraw/zinc/64/11/10/456641110.db2.gz GTSKNIOZOPRJFW-OAHLLOKOSA-N 2 0 347.890 3.298 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000337997451 456644088 /nfs/dbraw/zinc/64/40/88/456644088.db2.gz DZBYYWNNWGEUMI-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCOCC1 ZINC000277055411 456665150 /nfs/dbraw/zinc/66/51/50/456665150.db2.gz QTGNWJQANDXYDG-GOSISDBHSA-N 2 0 346.515 3.204 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353389346 456668023 /nfs/dbraw/zinc/66/80/23/456668023.db2.gz VFFFCMJGEXNUSX-AQNXPRMDSA-N 2 0 342.462 3.282 20 0 EGADRP C[C@@H]1CCC[C@](CNC(=O)CC[C@H]([NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000324752018 456672028 /nfs/dbraw/zinc/67/20/28/456672028.db2.gz PTDDEOHZHGSHAC-KPFFTGBYSA-N 2 0 331.504 3.093 20 0 EGADRP COCCN(C)CC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000324736942 456672799 /nfs/dbraw/zinc/67/27/99/456672799.db2.gz LPYBMAYGTSCNNQ-GOSISDBHSA-N 2 0 326.484 3.375 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353410908 456683401 /nfs/dbraw/zinc/68/34/01/456683401.db2.gz XQBOJIYMQZRGHW-UHFFFAOYSA-N 2 0 328.403 3.259 20 0 EGADRP CC(C)[C@@H](C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000325797437 456685806 /nfs/dbraw/zinc/68/58/06/456685806.db2.gz JJBZGEIUDQGZHB-NHCUHLMSSA-N 2 0 331.548 3.288 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000338238620 456725094 /nfs/dbraw/zinc/72/50/94/456725094.db2.gz UBNRENRRSJZTOO-VQTJNVASSA-N 2 0 338.536 3.364 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277217652 456729320 /nfs/dbraw/zinc/72/93/20/456729320.db2.gz XGEPIEBJNAUVSA-NHCUHLMSSA-N 2 0 348.506 3.363 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000283270561 456748185 /nfs/dbraw/zinc/74/81/85/456748185.db2.gz WQBOVQISFRBHMO-QFIPXVFZSA-N 2 0 349.522 3.488 20 0 EGADRP Cc1cccc([C@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000283470660 456786647 /nfs/dbraw/zinc/78/66/47/456786647.db2.gz ZNDSXWNXLNWELY-NRFANRHFSA-N 2 0 329.532 3.200 20 0 EGADRP CSC1(C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000353606961 456799287 /nfs/dbraw/zinc/79/92/87/456799287.db2.gz FSJSUZUTSBTXRV-HOTGVXAUSA-N 2 0 328.566 3.243 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000353676335 456848719 /nfs/dbraw/zinc/84/87/19/456848719.db2.gz XIEQUVNVLMTISX-OAADDMNDSA-N 3 0 341.543 3.359 20 0 EGADRP CCc1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000339015478 456901865 /nfs/dbraw/zinc/90/18/65/456901865.db2.gz XKUXEIRROYBBHB-ROUUACIJSA-N 2 0 345.531 3.355 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000339069749 456926163 /nfs/dbraw/zinc/92/61/63/456926163.db2.gz VIBIGKPVYAEQRK-WOJBJXKFSA-N 2 0 327.516 3.040 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000341856683 456973638 /nfs/dbraw/zinc/97/36/38/456973638.db2.gz ZFRXDFULEFNEBX-APWZRJJASA-N 2 0 329.488 3.055 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CCC(OC)CC2)[C@H](C)C1 ZINC000349686859 457017464 /nfs/dbraw/zinc/01/74/64/457017464.db2.gz YBDVJOICEPBMRC-YNIZLOQISA-N 2 0 340.552 3.308 20 0 EGADRP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC(C)(C)C ZINC000339252567 457019238 /nfs/dbraw/zinc/01/92/38/457019238.db2.gz GIABKHYDUBABKQ-UHFFFAOYSA-N 2 0 349.544 3.152 20 0 EGADRP Cc1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C)s1 ZINC000354035035 457024099 /nfs/dbraw/zinc/02/40/99/457024099.db2.gz VAKPHFJRGURXGE-UHFFFAOYSA-N 2 0 335.561 3.355 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339265908 457029429 /nfs/dbraw/zinc/02/94/29/457029429.db2.gz QIBPMFJAFUFDLC-LJQANCHMSA-N 2 0 345.531 3.276 20 0 EGADRP CC[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000359169469 457061746 /nfs/dbraw/zinc/06/17/46/457061746.db2.gz CFZDJJTWQLYSPB-FUHIMQAGSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000346608221 457075115 /nfs/dbraw/zinc/07/51/15/457075115.db2.gz CNTSWDSTOULYME-HOTGVXAUSA-N 2 0 342.487 3.014 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000346693479 457114604 /nfs/dbraw/zinc/11/46/04/457114604.db2.gz NGKVPNWLXMSUQT-UHFFFAOYSA-N 2 0 348.821 3.271 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000359773040 457128273 /nfs/dbraw/zinc/12/82/73/457128273.db2.gz ZJHNLIWLACXTGX-NSISKUIASA-N 2 0 333.520 3.008 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000356900861 457209217 /nfs/dbraw/zinc/20/92/17/457209217.db2.gz ZSHPGLCEQHQKFS-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC1 ZINC000347087089 457223465 /nfs/dbraw/zinc/22/34/65/457223465.db2.gz DLOTZXAHTATYLN-NSHDSACASA-N 2 0 340.393 3.151 20 0 EGADRP c1nc(-c2ccccn2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347102553 457229502 /nfs/dbraw/zinc/22/95/02/457229502.db2.gz MMKYOXQZCYIBBZ-MRXNPFEDSA-N 2 0 328.485 3.169 20 0 EGADRP C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347168313 457267354 /nfs/dbraw/zinc/26/73/54/457267354.db2.gz MKQRDBGTWFBQOR-YIONKMFJSA-N 2 0 328.378 3.343 20 0 EGADRP CC(C)(C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000360168205 457285675 /nfs/dbraw/zinc/28/56/75/457285675.db2.gz JQJJHFFYEBEMRZ-UHFFFAOYSA-N 2 0 330.451 3.427 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000347202539 457286360 /nfs/dbraw/zinc/28/63/60/457286360.db2.gz KPWITBAVBVDGAO-UHFFFAOYSA-N 2 0 340.515 3.370 20 0 EGADRP COc1ccc2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)sc2c1 ZINC000357047360 457297171 /nfs/dbraw/zinc/29/71/71/457297171.db2.gz JNVSCDZPIYRSAK-AWEZNQCLSA-N 2 0 331.485 3.126 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1)CC1CC1 ZINC000357071841 457307969 /nfs/dbraw/zinc/30/79/69/457307969.db2.gz BVTANWJGTVMERF-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000363391320 457309605 /nfs/dbraw/zinc/30/96/05/457309605.db2.gz QOAXWIJMSFBAFE-IBGZPJMESA-N 2 0 341.499 3.029 20 0 EGADRP Cc1ccccc1C[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000342461071 457314938 /nfs/dbraw/zinc/31/49/38/457314938.db2.gz WCLMFSWKIRNYNT-SFHVURJKSA-N 2 0 341.499 3.441 20 0 EGADRP C[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357106609 457326342 /nfs/dbraw/zinc/32/63/42/457326342.db2.gz DBIXDSNHWIAKIB-APAFKAMOSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000357109154 457327153 /nfs/dbraw/zinc/32/71/53/457327153.db2.gz HLDVHDYCQCCIDC-AKHDSKFASA-N 2 0 337.552 3.120 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000378104370 457374463 /nfs/dbraw/zinc/37/44/63/457374463.db2.gz RLWKHDMKSLGUQM-SFHVURJKSA-N 2 0 326.488 3.015 20 0 EGADRP Cc1ncn(-c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)c1C ZINC000360951515 457459600 /nfs/dbraw/zinc/45/96/00/457459600.db2.gz PJXUTAKOVCLNBT-UHFFFAOYSA-N 2 0 331.379 3.389 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)cc2)CC1 ZINC000342737638 457488018 /nfs/dbraw/zinc/48/80/18/457488018.db2.gz NJUVALYIVZJASR-APWZRJJASA-N 2 0 329.488 3.245 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000397889657 457491451 /nfs/dbraw/zinc/49/14/51/457491451.db2.gz PCHBZBRGDVXFPY-IEBWSBKVSA-N 2 0 347.503 3.013 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000342753059 457499546 /nfs/dbraw/zinc/49/95/46/457499546.db2.gz OXZHPXZJDUUMOY-PXNSSMCTSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347563263 457511359 /nfs/dbraw/zinc/51/13/59/457511359.db2.gz IEUUUTSEMHJSRZ-HKUYNNGSSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]([NH2+]CC1(N(C)C)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400338111 457512206 /nfs/dbraw/zinc/51/22/06/457512206.db2.gz HZBFYCRPXWEBCH-HNNXBMFYSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779062 457519932 /nfs/dbraw/zinc/51/99/32/457519932.db2.gz NPUAAVVTFQUQBO-QFBILLFUSA-N 2 0 338.499 3.384 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C2CCCC2)o1 ZINC000342803458 457535188 /nfs/dbraw/zinc/53/51/88/457535188.db2.gz YXKOGKYFXAGBTE-FQEVSTJZSA-N 2 0 333.520 3.437 20 0 EGADRP Fc1cccc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)s2)c1 ZINC000352693748 457535917 /nfs/dbraw/zinc/53/59/17/457535917.db2.gz MXDGWCPETZILAU-KRWDZBQOSA-N 2 0 345.487 3.034 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000357502100 457567217 /nfs/dbraw/zinc/56/72/17/457567217.db2.gz QXNWQOBJOAKXDX-DLBZAZTESA-N 2 0 333.476 3.177 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000408506232 457572871 /nfs/dbraw/zinc/57/28/71/457572871.db2.gz FGRRYUWUEIDIEI-JTDSTZFVSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccs1 ZINC000361184485 457634966 /nfs/dbraw/zinc/63/49/66/457634966.db2.gz QXFVGLWYQXWBKN-CVEARBPZSA-N 2 0 337.533 3.012 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000425943287 457656966 /nfs/dbraw/zinc/65/69/66/457656966.db2.gz QETMKARUZOFBKR-HOTGVXAUSA-N 2 0 334.508 3.409 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCSc4ccc(F)cc43)C2)CC1 ZINC000370624867 457684378 /nfs/dbraw/zinc/68/43/78/457684378.db2.gz QUWUNMWKLCXLEG-YJBOKZPZSA-N 2 0 349.519 3.121 20 0 EGADRP CCCc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370635197 457687914 /nfs/dbraw/zinc/68/79/14/457687914.db2.gz OCBCIAIJHYWCML-PXNSSMCTSA-N 2 0 329.532 3.458 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000370654285 457692138 /nfs/dbraw/zinc/69/21/38/457692138.db2.gz XXOLHRPQAZDCIZ-BXWFABGCSA-N 2 0 335.923 3.486 20 0 EGADRP C[N@H+](Cc1ccc(F)cn1)[C@H]1CCCN(Cc2ccc(F)cn2)CC1 ZINC000364896223 457714069 /nfs/dbraw/zinc/71/40/69/457714069.db2.gz PAEXUFKUKHTKKS-IBGZPJMESA-N 2 0 346.425 3.241 20 0 EGADRP CC[C@@H](C)Oc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433137545 457764215 /nfs/dbraw/zinc/76/42/15/457764215.db2.gz OQXXRSSBWHYRTL-OAHLLOKOSA-N 2 0 333.476 3.006 20 0 EGADRP Cn1ccnc1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649177 457767596 /nfs/dbraw/zinc/76/75/96/457767596.db2.gz MPXWIBNAZJYXSL-BLLLJJGKSA-N 2 0 337.826 3.126 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358111821 457791601 /nfs/dbraw/zinc/79/16/01/457791601.db2.gz NCWSTWYHLQVGLA-QKLQHJQFSA-N 2 0 347.547 3.163 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1C[NH+](C)C)c1ccco1 ZINC000433302511 457803852 /nfs/dbraw/zinc/80/38/52/457803852.db2.gz ISGPAUVXGWRWHC-GOSISDBHSA-N 2 0 343.471 3.154 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358155842 457822395 /nfs/dbraw/zinc/82/23/95/457822395.db2.gz PEPMHAWFWRXNBO-IPYPFGDCSA-N 2 0 336.430 3.292 20 0 EGADRP CC(CC[NH+](C)C[C@H]1CCCOC1)CC[N@H+](C)C[C@H]1CCCOC1 ZINC000411268446 457845546 /nfs/dbraw/zinc/84/55/46/457845546.db2.gz DELSBNIGDDLDBM-WOJBJXKFSA-N 2 0 340.552 3.120 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCCCOc1ccccc1 ZINC000375355621 457895120 /nfs/dbraw/zinc/89/51/20/457895120.db2.gz KNTNSMGZLAFNNG-HLAWJBBLSA-N 2 0 346.515 3.419 20 0 EGADRP Cc1ccc([C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000371402424 457910150 /nfs/dbraw/zinc/91/01/50/457910150.db2.gz XIGGRRUWISVVCN-PZJWPPBQSA-N 2 0 327.516 3.204 20 0 EGADRP O[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3F)CCN(Cc2ccccc2)C1 ZINC000361891503 457934995 /nfs/dbraw/zinc/93/49/95/457934995.db2.gz HZVDLXABAKBFEH-NHCUHLMSSA-N 2 0 340.442 3.040 20 0 EGADRP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000411689628 457951579 /nfs/dbraw/zinc/95/15/79/457951579.db2.gz DSXFTJYQHVCFDX-VYJAJWGXSA-N 2 0 340.552 3.401 20 0 EGADRP OC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1(F)F ZINC000411739766 457967310 /nfs/dbraw/zinc/96/73/10/457967310.db2.gz AWGOXTKNKAITBQ-SFHVURJKSA-N 2 0 338.442 3.122 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)[C@H]1c1cccs1 ZINC000427265280 457968984 /nfs/dbraw/zinc/96/89/84/457968984.db2.gz MQJAHEGJYYQOCX-MDZRGWNJSA-N 2 0 349.544 3.027 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411803743 457982491 /nfs/dbraw/zinc/98/24/91/457982491.db2.gz FVGQPEIRWQTLNE-UHFFFAOYSA-N 2 0 340.515 3.049 20 0 EGADRP CO[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000411808356 457984229 /nfs/dbraw/zinc/98/42/29/457984229.db2.gz SFAKPMNEOHMWIK-WAPOTWQKSA-N 2 0 340.552 3.116 20 0 EGADRP Clc1cccc(CC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1Cl ZINC000434544051 458015534 /nfs/dbraw/zinc/01/55/34/458015534.db2.gz KKPWOBHYBSEALS-CQSZACIVSA-N 2 0 343.298 3.190 20 0 EGADRP C[C@@H]1C[N@H+](CCCc2ccccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371697419 458038582 /nfs/dbraw/zinc/03/85/82/458038582.db2.gz WAZNDKABMCIXIL-XLIONFOSSA-N 2 0 349.950 3.230 20 0 EGADRP CC(C)OC1CC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000428074458 458075908 /nfs/dbraw/zinc/07/59/08/458075908.db2.gz ZLGWBQPZUQWUOB-UHFFFAOYSA-N 2 0 346.515 3.249 20 0 EGADRP OC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000362310092 458096333 /nfs/dbraw/zinc/09/63/33/458096333.db2.gz PLFMHRYLWHDABD-LJQANCHMSA-N 2 0 334.479 3.116 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412131655 458103268 /nfs/dbraw/zinc/10/32/68/458103268.db2.gz PBERFQWJNAFWGM-FXAWDEMLSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH2+]C[C@H]1CCCN1Cc1ccc(OCc2csc(C)n2)cc1 ZINC000435368320 458121239 /nfs/dbraw/zinc/12/12/39/458121239.db2.gz APBHEVZZVPWTTI-QGZVFWFLSA-N 2 0 331.485 3.214 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435372859 458123209 /nfs/dbraw/zinc/12/32/09/458123209.db2.gz SUFUVKBZHZYLRO-GXTWGEPZSA-N 2 0 346.393 3.196 20 0 EGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435374147 458124281 /nfs/dbraw/zinc/12/42/81/458124281.db2.gz HLJQDNDUDVURTL-WMZOPIPTSA-N 2 0 338.499 3.394 20 0 EGADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435387999 458132170 /nfs/dbraw/zinc/13/21/70/458132170.db2.gz DFDLVPJXBGEWDP-HNNXBMFYSA-N 2 0 338.480 3.381 20 0 EGADRP Cc1ccc(OCc2nc(CN3CCC(C[NH3+])CC3)cs2)cc1 ZINC000435390849 458134595 /nfs/dbraw/zinc/13/45/95/458134595.db2.gz QMSOGBAJWYSLLB-UHFFFAOYSA-N 2 0 331.485 3.201 20 0 EGADRP CCOc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435446086 458149229 /nfs/dbraw/zinc/14/92/29/458149229.db2.gz JGRAWVZUJSCUDV-CQSZACIVSA-N 2 0 326.868 3.321 20 0 EGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000375988953 458152726 /nfs/dbraw/zinc/15/27/26/458152726.db2.gz OXKJJQJYWFUZEW-TZIWHRDSSA-N 2 0 338.499 3.299 20 0 EGADRP [NH3+][C@H]1CC[C@@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000435723289 458189800 /nfs/dbraw/zinc/18/98/00/458189800.db2.gz NUHGSBASDKJOFV-SJORKVTESA-N 2 0 326.444 3.317 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000358755434 458195945 /nfs/dbraw/zinc/19/59/45/458195945.db2.gz SNWJLIPGLAUCLP-QFBILLFUSA-N 2 0 340.458 3.488 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362589306 458286445 /nfs/dbraw/zinc/28/64/45/458286445.db2.gz NCYJGHAHJCGBRW-DZGCQCFKSA-N 2 0 329.366 3.010 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000369615631 458290126 /nfs/dbraw/zinc/29/01/26/458290126.db2.gz LGJCNSKNKAYXIV-CBBWQLFWSA-N 2 0 341.952 3.119 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000447536759 458306215 /nfs/dbraw/zinc/30/62/15/458306215.db2.gz PRUKNBYSPIVLRD-SFTDATJTSA-N 2 0 329.532 3.487 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000429288936 458308702 /nfs/dbraw/zinc/30/87/02/458308702.db2.gz BCAGMLPNYQDKTN-RTBURBONSA-N 2 0 331.504 3.166 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000447564500 458312979 /nfs/dbraw/zinc/31/29/79/458312979.db2.gz XGIHLAYSNBKYHE-VDGAXYAQSA-N 2 0 343.515 3.048 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000429341862 458318343 /nfs/dbraw/zinc/31/83/43/458318343.db2.gz SGHAOKIZHBGZRK-OAQYLSRUSA-N 2 0 349.478 3.326 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)c2cccc(Br)c21 ZINC000447598292 458319199 /nfs/dbraw/zinc/31/91/99/458319199.db2.gz UYFNXQNCFFSDGI-DOMZBBRYSA-N 2 0 341.293 3.165 20 0 EGADRP CCOc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(Cl)c1O ZINC000459354668 458340913 /nfs/dbraw/zinc/34/09/13/458340913.db2.gz JLMKCCWNOMFJHD-ZBFHGGJFSA-N 2 0 338.879 3.360 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCn2ccnc2C)[C@H]1Sc1ccccc1 ZINC000459389931 458355562 /nfs/dbraw/zinc/35/55/62/458355562.db2.gz OFYLYPXVTCHFMU-RCCFBDPRSA-N 2 0 331.485 3.119 20 0 EGADRP CC[C@@H](C[NH2+]Cc1cnc(C2CC2)nc1)N1CCc2ccccc2C1 ZINC000459390660 458356002 /nfs/dbraw/zinc/35/60/02/458356002.db2.gz OURQZQCQQQOGIK-FQEVSTJZSA-N 2 0 336.483 3.281 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc(O)c2n1 ZINC000429681861 458357721 /nfs/dbraw/zinc/35/77/21/458357721.db2.gz DMWQXSPOGXCCOS-MRXNPFEDSA-N 2 0 325.456 3.167 20 0 EGADRP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459408912 458361209 /nfs/dbraw/zinc/36/12/09/458361209.db2.gz IWGSEIFPXNDUCI-APWZRJJASA-N 2 0 331.504 3.481 20 0 EGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1 ZINC000448021994 458380521 /nfs/dbraw/zinc/38/05/21/458380521.db2.gz LXEQOZZERPELNX-MAUKXSAKSA-N 2 0 347.503 3.122 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459474388 458383499 /nfs/dbraw/zinc/38/34/99/458383499.db2.gz XSULJLDZPMCCTI-HXUWFJFHSA-N 2 0 344.886 3.239 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000376828980 458398713 /nfs/dbraw/zinc/39/87/13/458398713.db2.gz ROGKRYQXLZWGMG-FQEVSTJZSA-N 2 0 343.515 3.019 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540341 458404425 /nfs/dbraw/zinc/40/44/25/458404425.db2.gz DKBIUZWWEMGJOQ-JOCHJYFZSA-N 2 0 348.494 3.452 20 0 EGADRP CO[C@](C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459589292 458421982 /nfs/dbraw/zinc/42/19/82/458421982.db2.gz YCRFYWWFDZAQBS-HXUWFJFHSA-N 2 0 325.456 3.202 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[C@@H]3CCC[N@H+](C)C3)ccc21 ZINC000459627898 458430654 /nfs/dbraw/zinc/43/06/54/458430654.db2.gz YCDANVJGBDPCME-HNAYVOBHSA-N 2 0 344.503 3.089 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423436749 458432961 /nfs/dbraw/zinc/43/29/61/458432961.db2.gz UAZMGLPAXDITTI-ZWKOTPCHSA-N 2 0 331.504 3.093 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423461231 458436301 /nfs/dbraw/zinc/43/63/01/458436301.db2.gz NSXNSOGPGUZSCA-BJJXKVORSA-N 2 0 347.894 3.397 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)nnn1-c1ccc(Cl)cc1 ZINC000423480050 458439980 /nfs/dbraw/zinc/43/99/80/458439980.db2.gz MRSKMHLBIIZBRX-CJNGLKHVSA-N 2 0 347.894 3.412 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000423540645 458454620 /nfs/dbraw/zinc/45/46/20/458454620.db2.gz KEGPLVMKXNSOBN-FZMABENVSA-N 2 0 332.488 3.174 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC000423548398 458456318 /nfs/dbraw/zinc/45/63/18/458456318.db2.gz RALLCQQVKQWVEC-ZGKBOVNRSA-N 2 0 340.414 3.335 20 0 EGADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000459761777 458471954 /nfs/dbraw/zinc/47/19/54/458471954.db2.gz UVKCPDIOZZIIFA-SFHVURJKSA-N 2 0 346.515 3.158 20 0 EGADRP [NH3+]CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000430636003 458474178 /nfs/dbraw/zinc/47/41/78/458474178.db2.gz IFEDYYUXAUQWJO-OAQYLSRUSA-N 2 0 343.515 3.095 20 0 EGADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000459784751 458477537 /nfs/dbraw/zinc/47/75/37/458477537.db2.gz OMGMCYNMYABJSQ-KRWDZBQOSA-N 2 0 326.488 3.217 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423736164 458478067 /nfs/dbraw/zinc/47/80/67/458478067.db2.gz CVRYKIFLWVNNRY-PXNSSMCTSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C2(C[NH3+])CCCC2)CCCC1)c1ccccc1 ZINC000430702076 458482444 /nfs/dbraw/zinc/48/24/44/458482444.db2.gz XMKJBKTWPIBYTQ-KRWDZBQOSA-N 2 0 343.515 3.285 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2Br)C1 ZINC000459799778 458482706 /nfs/dbraw/zinc/48/27/06/458482706.db2.gz ZEQKMWBQLVKZSC-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP c1ccc(CSCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000430726340 458484710 /nfs/dbraw/zinc/48/47/10/458484710.db2.gz DDFFRUWLJDBOGN-UHFFFAOYSA-N 2 0 348.556 3.354 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437845161 458502074 /nfs/dbraw/zinc/50/20/74/458502074.db2.gz WCVVONUKFIXVLU-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000430922643 458506779 /nfs/dbraw/zinc/50/67/79/458506779.db2.gz BSIYGWUUYUIOCX-HNNXBMFYSA-N 2 0 325.456 3.228 20 0 EGADRP C[C@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430946812 458508418 /nfs/dbraw/zinc/50/84/18/458508418.db2.gz YBZQFUBBOONYRQ-HNAYVOBHSA-N 2 0 339.439 3.087 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000430945745 458508522 /nfs/dbraw/zinc/50/85/22/458508522.db2.gz SMNTXGQERZSHKS-KKSFZXQISA-N 2 0 343.515 3.093 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423925134 458513005 /nfs/dbraw/zinc/51/30/05/458513005.db2.gz SVLVFTPLGKRDCY-OAHLLOKOSA-N 2 0 343.471 3.122 20 0 EGADRP c1sc(Cc2ccccc2)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431031768 458518940 /nfs/dbraw/zinc/51/89/40/458518940.db2.gz CVCVATHXNMZQEO-UHFFFAOYSA-N 2 0 327.497 3.309 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000438092637 458530299 /nfs/dbraw/zinc/53/02/99/458530299.db2.gz AADDZCQVTVVNRO-SFTDATJTSA-N 2 0 328.500 3.401 20 0 EGADRP COc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000373748375 458591022 /nfs/dbraw/zinc/59/10/22/458591022.db2.gz QNJRBIPEEGUJSS-KRWDZBQOSA-N 2 0 330.476 3.429 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000438551733 458597062 /nfs/dbraw/zinc/59/70/62/458597062.db2.gz GEEVKOVECOIZTB-QZTJIDSGSA-N 2 0 347.503 3.186 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCCCC1 ZINC000438567966 458599134 /nfs/dbraw/zinc/59/91/34/458599134.db2.gz HLWNVNHVGQVSGA-GOSISDBHSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)c1ccc(CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000469954460 458603314 /nfs/dbraw/zinc/60/33/14/458603314.db2.gz VFZBUZMJTNOYQE-KNQAVFIVSA-N 2 0 343.559 3.310 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccn(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424288121 458604802 /nfs/dbraw/zinc/60/48/02/458604802.db2.gz KHHIANXBHKXMFK-OAHLLOKOSA-N 2 0 344.890 3.490 20 0 EGADRP C[NH2+]CC1CC[NH+](C[C@H](C)c2cccc(Br)c2)CC1 ZINC000470021578 458607881 /nfs/dbraw/zinc/60/78/81/458607881.db2.gz YUIMMLXQDFDAJG-ZDUSSCGKSA-N 2 0 325.294 3.484 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424295174 458608151 /nfs/dbraw/zinc/60/81/51/458608151.db2.gz QVDWCWQVFNETGW-CQSZACIVSA-N 2 0 335.879 3.133 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[NH+]1CCCCCC1 ZINC000494068105 458623631 /nfs/dbraw/zinc/62/36/31/458623631.db2.gz DZEXETICKANAQR-NLWGTHIKSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cn(C)nc1C1CCCCC1)CC[NH2+]CC2 ZINC000424382781 458630479 /nfs/dbraw/zinc/63/04/79/458630479.db2.gz SPJPGDPDTVQXNO-INIZCTEOSA-N 2 0 330.520 3.432 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000424424045 458639938 /nfs/dbraw/zinc/63/99/38/458639938.db2.gz HMSOHPGTXJWYRQ-UHFFFAOYSA-N 2 0 344.459 3.033 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccco1 ZINC000424427775 458641190 /nfs/dbraw/zinc/64/11/90/458641190.db2.gz QPFSLMWNTNJJDB-YOEHRIQHSA-N 2 0 344.459 3.298 20 0 EGADRP COCC(C)(C)C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000494310030 458656983 /nfs/dbraw/zinc/65/69/83/458656983.db2.gz KJDJGNLGOUWXOK-UHFFFAOYSA-N 2 0 334.504 3.169 20 0 EGADRP COCC(C)(C)C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000494388163 458669266 /nfs/dbraw/zinc/66/92/66/458669266.db2.gz VKGHWMWCYZKRKU-IRXDYDNUSA-N 2 0 334.504 3.058 20 0 EGADRP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000547361120 458727290 /nfs/dbraw/zinc/72/72/90/458727290.db2.gz DIXLBYUURLIYCK-IBGZPJMESA-N 2 0 335.923 3.249 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000432419114 458737031 /nfs/dbraw/zinc/73/70/31/458737031.db2.gz ZCYBTOMJHNLPHB-SSXNTNPLSA-N 2 0 328.500 3.038 20 0 EGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCOCC(F)(F)F ZINC000471842004 458740881 /nfs/dbraw/zinc/74/08/81/458740881.db2.gz BYHDFAFRUNPZJF-SJORKVTESA-N 2 0 344.421 3.237 20 0 EGADRP C[C@H](NCC[NH+]1CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511519 458754179 /nfs/dbraw/zinc/75/41/79/458754179.db2.gz HLRUNRVUUHNMIW-FPOVZHCZSA-N 2 0 329.532 3.363 20 0 EGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439954837 458768065 /nfs/dbraw/zinc/76/80/65/458768065.db2.gz ADQFXMZHMQBQEA-LJQANCHMSA-N 2 0 335.536 3.166 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472452301 458796750 /nfs/dbraw/zinc/79/67/50/458796750.db2.gz XJWIBYRGQUFWDX-WMZOPIPTSA-N 2 0 343.515 3.240 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495301795 458829144 /nfs/dbraw/zinc/82/91/44/458829144.db2.gz ISCFESUSCHEESY-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440628729 458834779 /nfs/dbraw/zinc/83/47/79/458834779.db2.gz WXJDEYHNNJJMEZ-UHFFFAOYSA-N 2 0 332.414 3.276 20 0 EGADRP COc1cccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000530939925 458848084 /nfs/dbraw/zinc/84/80/84/458848084.db2.gz KBFFUXOOBIPJJD-ROUUACIJSA-N 2 0 346.515 3.407 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)cc1 ZINC000440937434 458868348 /nfs/dbraw/zinc/86/83/48/458868348.db2.gz PIMDESLBUGRMHM-LPHOPBHVSA-N 2 0 343.515 3.274 20 0 EGADRP C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000495508639 458870780 /nfs/dbraw/zinc/87/07/80/458870780.db2.gz IKAJIAIZQVNUAN-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000474632825 458895367 /nfs/dbraw/zinc/89/53/67/458895367.db2.gz RHRNMCDICDUKRL-IEBWSBKVSA-N 2 0 330.520 3.138 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000474738544 458898900 /nfs/dbraw/zinc/89/89/00/458898900.db2.gz SSHAIBVUMXGOGR-FPOVZHCZSA-N 2 0 331.548 3.289 20 0 EGADRP CCCCN(C(=O)C[N@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000518945061 458901483 /nfs/dbraw/zinc/90/14/83/458901483.db2.gz FOKZXEXMJHSRKQ-UHFFFAOYSA-N 2 0 325.541 3.265 20 0 EGADRP CN1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556173480 458934567 /nfs/dbraw/zinc/93/45/67/458934567.db2.gz VGWKOUVNMBYCDM-BHDDXSALSA-N 2 0 338.495 3.405 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000531683405 458961499 /nfs/dbraw/zinc/96/14/99/458961499.db2.gz JKCYNFAFJNZALF-UZLBHIALSA-N 2 0 328.456 3.426 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000531704590 458964378 /nfs/dbraw/zinc/96/43/78/458964378.db2.gz NZCNKTGWMXQDRX-GOSISDBHSA-N 2 0 334.504 3.105 20 0 EGADRP Cc1cc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(C)n1 ZINC000519592906 458969385 /nfs/dbraw/zinc/96/93/85/458969385.db2.gz BTEIVTVLIIXDJW-LJQANCHMSA-N 2 0 344.503 3.295 20 0 EGADRP COC1(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000566650350 458975245 /nfs/dbraw/zinc/97/52/45/458975245.db2.gz UIDQKZOCLSTASP-UXHICEINSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC000468050427 458999722 /nfs/dbraw/zinc/99/97/22/458999722.db2.gz YJEXWMSXQQBNHE-MAUKXSAKSA-N 2 0 348.560 3.164 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000566792202 459001204 /nfs/dbraw/zinc/00/12/04/459001204.db2.gz NLOREPYLWQKLRQ-NRFANRHFSA-N 2 0 344.474 3.359 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531937353 459003122 /nfs/dbraw/zinc/00/31/22/459003122.db2.gz FGZTTZRVPNFTBZ-UHFFFAOYSA-N 2 0 336.442 3.324 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cncnc2C)cc1 ZINC000577232277 459003177 /nfs/dbraw/zinc/00/31/77/459003177.db2.gz YKPQMMHCVYRBBO-INIZCTEOSA-N 2 0 342.487 3.356 20 0 EGADRP CN(C)C(=O)CCN1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000531971032 459009354 /nfs/dbraw/zinc/00/93/54/459009354.db2.gz QTXZGIJAWBSJLN-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476975107 459024120 /nfs/dbraw/zinc/02/41/20/459024120.db2.gz QVBBMOHOJRRDOM-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000442715633 459025021 /nfs/dbraw/zinc/02/50/21/459025021.db2.gz LOZNMJPMSIEZSE-NEWSRXKRSA-N 2 0 331.504 3.015 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCC[C@@H](F)C2)CC1 ZINC000566973055 459029166 /nfs/dbraw/zinc/02/91/66/459029166.db2.gz NSWXJINAHBXUHQ-CABCVRRESA-N 2 0 339.886 3.462 20 0 EGADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000556952036 459036124 /nfs/dbraw/zinc/03/61/24/459036124.db2.gz QTKGUHPJHNXLOZ-OQIJWPOYSA-N 2 0 334.508 3.024 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000556952939 459036137 /nfs/dbraw/zinc/03/61/37/459036137.db2.gz ZVNQNYVNWPUFEV-RISCZKNCSA-N 2 0 349.276 3.056 20 0 EGADRP COc1ccc2c(c1)OC[C@H](N[C@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000567041518 459038368 /nfs/dbraw/zinc/03/83/68/459038368.db2.gz JNDWQKWNVFUKOO-TZIWHRDSSA-N 2 0 348.446 3.442 20 0 EGADRP CC[C@@]1(C)C[NH+](CCCCC[N@@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000442886114 459053273 /nfs/dbraw/zinc/05/32/73/459053273.db2.gz PZQZUPPHUFFCIP-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1(C)C ZINC000442889302 459054515 /nfs/dbraw/zinc/05/45/15/459054515.db2.gz JYAIZGXYFSICND-UXHICEINSA-N 2 0 329.532 3.013 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H](C)c1ccc(Cl)cc1 ZINC000442893310 459057291 /nfs/dbraw/zinc/05/72/91/459057291.db2.gz XTTZTDICSDYRTK-JKSUJKDBSA-N 2 0 337.939 3.448 20 0 EGADRP COc1sc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000442929074 459063505 /nfs/dbraw/zinc/06/35/05/459063505.db2.gz QUUTWADQTIXEEW-JTQLQIEISA-N 2 0 333.295 3.080 20 0 EGADRP CCN(C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443063103 459080905 /nfs/dbraw/zinc/08/09/05/459080905.db2.gz VVSKBFYGYJWBBR-KRWDZBQOSA-N 2 0 339.483 3.254 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000496162723 459093433 /nfs/dbraw/zinc/09/34/33/459093433.db2.gz WUFTVGUAXSLDFU-ZWKOTPCHSA-N 2 0 325.412 3.142 20 0 EGADRP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000594612435 459113243 /nfs/dbraw/zinc/11/32/43/459113243.db2.gz KOKXIGRKRMBVJP-GOSISDBHSA-N 2 0 347.503 3.254 20 0 EGADRP CN(Cc1cccnc1)Cc1cncc(CN(C)Cc2cccnc2)c1 ZINC000577974132 459125823 /nfs/dbraw/zinc/12/58/23/459125823.db2.gz WIEIBBCUNPCTQS-UHFFFAOYSA-N 2 0 347.466 3.136 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]CC3CC[NH+](CCN(C)C)CC3)cc2c(C)c1 ZINC000479554297 459147482 /nfs/dbraw/zinc/14/74/82/459147482.db2.gz LVBHHKIFXPRPID-UHFFFAOYSA-N 2 0 342.531 3.148 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000567870696 459181934 /nfs/dbraw/zinc/18/19/34/459181934.db2.gz JMMRAYFRSUMRCO-GHMZBOCLSA-N 2 0 337.265 3.055 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CN1C(=O)OC(C)(C)C ZINC000496478027 459207460 /nfs/dbraw/zinc/20/74/60/459207460.db2.gz XOWZGSBUEUWGFD-CVEARBPZSA-N 2 0 339.524 3.238 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787104 459218529 /nfs/dbraw/zinc/21/85/29/459218529.db2.gz XBZZRQWUKJYSFP-PKOBYXMFSA-N 2 0 337.552 3.218 20 0 EGADRP c1nc2cc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2[nH]1 ZINC000590798756 459224143 /nfs/dbraw/zinc/22/41/43/459224143.db2.gz YTDWGOUSURDNLT-LJQANCHMSA-N 2 0 334.467 3.217 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481050085 459230966 /nfs/dbraw/zinc/23/09/66/459230966.db2.gz MVNDBAPBVONSFK-CRAIPNDOSA-N 2 0 336.907 3.318 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1)c1ccccc1 ZINC000568247919 459256870 /nfs/dbraw/zinc/25/68/70/459256870.db2.gz BBOCMRCWSWMGBG-HOJAQTOUSA-N 2 0 343.515 3.031 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)C1 ZINC000568249601 459258247 /nfs/dbraw/zinc/25/82/47/459258247.db2.gz VVEBFXKOSBVWLU-QZTJIDSGSA-N 2 0 341.430 3.438 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496625360 459264356 /nfs/dbraw/zinc/26/43/56/459264356.db2.gz SZOWAMZPBKAAJZ-BRWVUGGUSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCC(C)CC1 ZINC000481975706 459282673 /nfs/dbraw/zinc/28/26/73/459282673.db2.gz WZKCWAKHWNBCHI-OALUTQOASA-N 2 0 347.547 3.398 20 0 EGADRP CCCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482546199 459314258 /nfs/dbraw/zinc/31/42/58/459314258.db2.gz DCDXDXQPRUJRHY-FXAWDEMLSA-N 2 0 345.531 3.267 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000496765415 459316304 /nfs/dbraw/zinc/31/63/04/459316304.db2.gz XADAWKRGTQFPDW-QVOMUQBLSA-N 2 0 327.513 3.141 20 0 EGADRP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC[C@H](C[NH3+])C1 ZINC000582181813 459322123 /nfs/dbraw/zinc/32/21/23/459322123.db2.gz SIFXZAIOKXBMLW-TZMCWYRMSA-N 2 0 334.851 3.046 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000496781692 459323105 /nfs/dbraw/zinc/32/31/05/459323105.db2.gz OGRYVXPNPLTPLP-HZPDHXFCSA-N 2 0 327.513 3.001 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000591202410 459331922 /nfs/dbraw/zinc/33/19/22/459331922.db2.gz OOAVBWZJXOQZDZ-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482986420 459334330 /nfs/dbraw/zinc/33/43/30/459334330.db2.gz SHGDLOKZVXZJME-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP C[NH+](C)CCCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000560598028 459378706 /nfs/dbraw/zinc/37/87/06/459378706.db2.gz PQKYGVPTYQQCHT-UHFFFAOYSA-N 2 0 345.531 3.411 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000582610145 459395397 /nfs/dbraw/zinc/39/53/97/459395397.db2.gz OSVRTPUOUVXIBR-IAGOWNOFSA-N 2 0 347.503 3.253 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)c1OC ZINC000582682003 459409345 /nfs/dbraw/zinc/40/93/45/459409345.db2.gz ZLDMOUGHNBFVFD-INIZCTEOSA-N 2 0 334.504 3.409 20 0 EGADRP Fc1ccc(-c2nnc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)[nH]2)cc1 ZINC000582779651 459426471 /nfs/dbraw/zinc/42/64/71/459426471.db2.gz JNFBXOOTNKDBKI-GVDBMIGSSA-N 2 0 343.450 3.011 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000561291848 459439958 /nfs/dbraw/zinc/43/99/58/459439958.db2.gz HENQTXVFYQJHRX-SJBKTWHCSA-N 2 0 343.559 3.213 20 0 EGADRP C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000582858501 459440539 /nfs/dbraw/zinc/44/05/39/459440539.db2.gz GUZSNGBEZLMJSR-DNVCBOLYSA-N 2 0 336.907 3.445 20 0 EGADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497159417 459466232 /nfs/dbraw/zinc/46/62/32/459466232.db2.gz GIHLGUFYRPMPQY-SJORKVTESA-N 2 0 337.508 3.016 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000583018838 459466845 /nfs/dbraw/zinc/46/68/45/459466845.db2.gz GKZRCVAIPQADHW-OXJNMPFZSA-N 2 0 337.467 3.417 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000583018839 459466958 /nfs/dbraw/zinc/46/69/58/459466958.db2.gz GKZRCVAIPQADHW-OXQOHEQNSA-N 2 0 337.467 3.417 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000569590640 459478471 /nfs/dbraw/zinc/47/84/71/459478471.db2.gz NSQKJCPIOLCFPZ-JKIFEVAISA-N 2 0 339.886 3.476 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[NH2+]C(C)C)c1ccccc1Cl ZINC000561936575 459494563 /nfs/dbraw/zinc/49/45/63/459494563.db2.gz HIZYQNMNWHOOMW-KRWDZBQOSA-N 2 0 339.911 3.227 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000486745127 459517439 /nfs/dbraw/zinc/51/74/39/459517439.db2.gz GNGYNKKJHBPUME-HXUWFJFHSA-N 2 0 345.531 3.182 20 0 EGADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583316442 459519787 /nfs/dbraw/zinc/51/97/87/459519787.db2.gz DVBVSPFTNZCCCS-UHIISALHSA-N 2 0 332.414 3.101 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000497433611 459536845 /nfs/dbraw/zinc/53/68/45/459536845.db2.gz GSQZWMVELABPCD-PKOBYXMFSA-N 2 0 348.535 3.017 20 0 EGADRP Cn1ccc([C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000583558971 459558479 /nfs/dbraw/zinc/55/84/79/459558479.db2.gz CXUPMQBMMRYJEL-MZMPZRCHSA-N 2 0 332.879 3.270 20 0 EGADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000497856988 459560065 /nfs/dbraw/zinc/56/00/65/459560065.db2.gz LNVXXHHSXSWKHW-FGTMMUONSA-N 2 0 338.536 3.456 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542701802 459583915 /nfs/dbraw/zinc/58/39/15/459583915.db2.gz LCQXFOMUEZARAJ-DUMMIQTOSA-N 2 0 338.442 3.411 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000562592400 459595990 /nfs/dbraw/zinc/59/59/90/459595990.db2.gz DWXPEWOZKNIAKA-LEWJYISDSA-N 2 0 329.532 3.488 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000498926911 459613536 /nfs/dbraw/zinc/61/35/36/459613536.db2.gz WRDYDEAWQRHCQI-INIZCTEOSA-N 2 0 326.525 3.454 20 0 EGADRP c1ccc(-c2noc([C@H]3CCCC[N@H+]3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000583922372 459619127 /nfs/dbraw/zinc/61/91/27/459619127.db2.gz OAHZSJHNUYQZRZ-NVXWUHKLSA-N 2 0 326.444 3.263 20 0 EGADRP COCC1(CC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000573247899 459648700 /nfs/dbraw/zinc/64/87/00/459648700.db2.gz RVLBOPKLPUHSHB-SFHVURJKSA-N 2 0 344.499 3.381 20 0 EGADRP O[C@@H]1C[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)N(Cc2ccccc2)C1 ZINC000527523719 459654155 /nfs/dbraw/zinc/65/41/55/459654155.db2.gz SAKNDWSNQXVUSP-RTBURBONSA-N 2 0 346.421 3.349 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000543416819 459655567 /nfs/dbraw/zinc/65/55/67/459655567.db2.gz SPBVGGUNICPNJM-BURNTYAHSA-N 2 0 328.500 3.303 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000584170349 459671552 /nfs/dbraw/zinc/67/15/52/459671552.db2.gz KAHCDWSZVJRWDS-LJQANCHMSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000543600846 459673930 /nfs/dbraw/zinc/67/39/30/459673930.db2.gz JHQGTHJXGCMOKO-OXAFFQKASA-N 2 0 333.564 3.209 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000562959466 459680553 /nfs/dbraw/zinc/68/05/53/459680553.db2.gz SFLLDWYCMDANFB-OXJNMPFZSA-N 2 0 328.456 3.474 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527658352 459688331 /nfs/dbraw/zinc/68/83/31/459688331.db2.gz XHFCKINDCRTVIK-NRSPTQNISA-N 2 0 329.532 3.328 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000563006727 459693478 /nfs/dbraw/zinc/69/34/78/459693478.db2.gz BOLLRDCUVOSYNF-CTWPCTMYSA-N 2 0 348.531 3.186 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000573787583 459733741 /nfs/dbraw/zinc/73/37/41/459733741.db2.gz IYROCVAYLTVEJT-RHSMWYFYSA-N 2 0 326.444 3.262 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000573787584 459734205 /nfs/dbraw/zinc/73/42/05/459734205.db2.gz IYROCVAYLTVEJT-WMLDXEAASA-N 2 0 326.444 3.262 20 0 EGADRP CSC[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000584465144 459745829 /nfs/dbraw/zinc/74/58/29/459745829.db2.gz VLFARDAVNSLTNL-LJQANCHMSA-N 2 0 344.524 3.229 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@H]3CC34CC4)cc2)CC1 ZINC000527846623 459756591 /nfs/dbraw/zinc/75/65/91/459756591.db2.gz FUZXTWXACZBWCP-FXAWDEMLSA-N 2 0 327.516 3.102 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527859131 459761000 /nfs/dbraw/zinc/76/10/00/459761000.db2.gz CUJFOBFDKCQODT-KDOFPFPSSA-N 2 0 340.870 3.293 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cc(F)c(Br)cc1F ZINC000527977195 459787130 /nfs/dbraw/zinc/78/71/30/459787130.db2.gz CONRRHBFEBOHQY-YMTOWFKASA-N 2 0 333.220 3.157 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000566063381 459799890 /nfs/dbraw/zinc/79/98/90/459799890.db2.gz RQLBPKXAGNSEGY-PBHICJAKSA-N 2 0 344.421 3.321 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000566108635 459806123 /nfs/dbraw/zinc/80/61/23/459806123.db2.gz HEUMTSWHXHREGL-HNNXBMFYSA-N 2 0 337.895 3.379 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000566108974 459806234 /nfs/dbraw/zinc/80/62/34/459806234.db2.gz HVOCREOQDOWXQR-QFIPXVFZSA-N 2 0 340.511 3.453 20 0 EGADRP CC[NH2+]CCCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000566203412 459822779 /nfs/dbraw/zinc/82/27/79/459822779.db2.gz SUJBPSUXUWMWFP-UHFFFAOYSA-N 2 0 339.483 3.048 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC[NH+](C)C2CCCCC2)c1 ZINC000545309903 459822965 /nfs/dbraw/zinc/82/29/65/459822965.db2.gz PWCPOUYYCIRTHO-UHFFFAOYSA-N 2 0 345.531 3.409 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566213108 459823795 /nfs/dbraw/zinc/82/37/95/459823795.db2.gz YGVVHLMZZWMBQZ-IEBWSBKVSA-N 2 0 331.504 3.166 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000566230073 459826948 /nfs/dbraw/zinc/82/69/48/459826948.db2.gz FPZYQYXKJXKRQV-CVEARBPZSA-N 2 0 328.504 3.444 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCSCc3ccccc3)C2)C1 ZINC000593315407 459838746 /nfs/dbraw/zinc/83/87/46/459838746.db2.gz JNLPGDITVQWBNR-GUDVDZBRSA-N 2 0 334.529 3.138 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(CC[NH3+])CC1 ZINC000566356006 459849147 /nfs/dbraw/zinc/84/91/47/459849147.db2.gz ODIUIMPTMTYJAZ-GFCCVEGCSA-N 2 0 343.393 3.093 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C(C)C)ccc3OC)C2)CC1 ZINC000593958955 460027363 /nfs/dbraw/zinc/02/73/63/460027363.db2.gz NENWERKJOSWVCG-FQEVSTJZSA-N 2 0 345.531 3.030 20 0 EGADRP COC(=O)CC1CCC([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000599033113 460133313 /nfs/dbraw/zinc/13/33/13/460133313.db2.gz ZCAAWPJRZKNPMI-UHFFFAOYSA-N 2 0 338.536 3.456 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000599311322 460224245 /nfs/dbraw/zinc/22/42/45/460224245.db2.gz OHFDRLVAHJTEGP-FXAWDEMLSA-N 2 0 343.515 3.162 20 0 EGADRP COC(=O)CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000599317580 460228052 /nfs/dbraw/zinc/22/80/52/460228052.db2.gz CMIXSSPFHOAJOQ-WOJBJXKFSA-N 2 0 344.499 3.316 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](C)C2CCCCC2)CC1 ZINC000625987331 460328410 /nfs/dbraw/zinc/32/84/10/460328410.db2.gz LYDVCTLTILYOEP-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cc(C)ccc1C ZINC000626019741 460340405 /nfs/dbraw/zinc/34/04/05/460340405.db2.gz LFSPKZZVQFITHZ-FQEVSTJZSA-N 2 0 345.531 3.333 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC(C)(C)CC ZINC000626062055 460357894 /nfs/dbraw/zinc/35/78/94/460357894.db2.gz DTSDHGDKIUSQKL-MRXNPFEDSA-N 2 0 333.520 3.263 20 0 EGADRP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062493 460358593 /nfs/dbraw/zinc/35/85/93/460358593.db2.gz UPFJLGQEDDJKLJ-DLBZAZTESA-N 2 0 333.520 3.263 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000628751905 460527485 /nfs/dbraw/zinc/52/74/85/460527485.db2.gz VKFWMVLFFLHOES-IBGZPJMESA-N 2 0 343.515 3.134 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635356615 460754005 /nfs/dbraw/zinc/75/40/05/460754005.db2.gz ZJAPREMPEULLNJ-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000623888495 460762482 /nfs/dbraw/zinc/76/24/82/460762482.db2.gz IVDRLISLFFMVJE-KRWDZBQOSA-N 2 0 345.512 3.293 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623888703 460764087 /nfs/dbraw/zinc/76/40/87/460764087.db2.gz QMYFCYXDJKUFGH-QWHCGFSZSA-N 2 0 347.400 3.131 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000623893220 460765167 /nfs/dbraw/zinc/76/51/67/460765167.db2.gz JHUCAVLRJGGMAN-UXHICEINSA-N 2 0 329.532 3.156 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000623903849 460770069 /nfs/dbraw/zinc/77/00/69/460770069.db2.gz PYFSOPXRTDHCMZ-DYVFJYSZSA-N 2 0 328.859 3.413 20 0 EGADRP C[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000635405321 460771386 /nfs/dbraw/zinc/77/13/86/460771386.db2.gz BEXMBGQPNOVYRM-MRXNPFEDSA-N 2 0 331.504 3.017 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cc2c1 ZINC000629546959 460804243 /nfs/dbraw/zinc/80/42/43/460804243.db2.gz IWHGXSHMFREUOI-CEWLAPEOSA-N 2 0 339.483 3.404 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cc2c1 ZINC000629546962 460804639 /nfs/dbraw/zinc/80/46/39/460804639.db2.gz IWHGXSHMFREUOI-NRSPTQNISA-N 2 0 339.483 3.404 20 0 EGADRP c1cc2c(cccc2N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)[nH]1 ZINC000629572958 460813158 /nfs/dbraw/zinc/81/31/58/460813158.db2.gz ABUCXFSOOYZLDR-UHFFFAOYSA-N 2 0 326.488 3.070 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCCN3CC(F)F)CC2)C1 ZINC000624096333 460858653 /nfs/dbraw/zinc/85/86/53/460858653.db2.gz YYZUAQXZDVHXMK-BPQIPLTHSA-N 2 0 343.506 3.349 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000627615172 460861287 /nfs/dbraw/zinc/86/12/87/460861287.db2.gz OKNCIUDSXGKJOL-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000621109270 460895650 /nfs/dbraw/zinc/89/56/50/460895650.db2.gz SEVBVKQZPUJDIL-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](c1ccc(-c2ccc([C@H](C)[NH3+])c(F)c2)cc1)N1CC[NH2+]CC1 ZINC000629737625 460898761 /nfs/dbraw/zinc/89/87/61/460898761.db2.gz KMBLWUGPESCTQL-LSDHHAIUSA-N 2 0 327.447 3.479 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000607939971 460942117 /nfs/dbraw/zinc/94/21/17/460942117.db2.gz GUQOSFCGBLAHNW-INIZCTEOSA-N 2 0 335.492 3.068 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000608061649 460974600 /nfs/dbraw/zinc/97/46/00/460974600.db2.gz WWZCQBSAIUHYDB-RHSMWYFYSA-N 2 0 338.455 3.406 20 0 EGADRP Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000628201521 461047804 /nfs/dbraw/zinc/04/78/04/461047804.db2.gz JLELAFLNKWSSNH-SFHVURJKSA-N 2 0 338.499 3.035 20 0 EGADRP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000646196921 461128682 /nfs/dbraw/zinc/12/86/82/461128682.db2.gz CZIQNZJJHZMVPV-LJQANCHMSA-N 2 0 335.923 3.249 20 0 EGADRP Cc1cn2ccc(NC(=O)NCc3cccc(C[NH+](C)C)c3)cc2n1 ZINC000668151450 461137322 /nfs/dbraw/zinc/13/73/22/461137322.db2.gz CTSHNWSGFUNONU-UHFFFAOYSA-N 2 0 337.427 3.026 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000652348249 461142486 /nfs/dbraw/zinc/14/24/86/461142486.db2.gz YQVIOHJYPCFXLP-SQGPQFPESA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000652349289 461142813 /nfs/dbraw/zinc/14/28/13/461142813.db2.gz JHYYIXCQGNZYFX-MJEQTWJJSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@@H]1CCC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)[C@H]1CC[NH3+] ZINC000652354019 461151024 /nfs/dbraw/zinc/15/10/24/461151024.db2.gz KMGLHBMHXGFBOI-UXPWSPDFSA-N 2 0 343.515 3.020 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)CC1 ZINC000668169670 461154356 /nfs/dbraw/zinc/15/43/56/461154356.db2.gz XDFJJZUZDZNLOM-FPOVZHCZSA-N 2 0 344.499 3.018 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc3ccccc3s2)C1 ZINC000652363990 461157735 /nfs/dbraw/zinc/15/77/35/461157735.db2.gz UFESOUOHYLGHEL-KBMXLJTQSA-N 2 0 331.485 3.157 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291888 461169218 /nfs/dbraw/zinc/16/92/18/461169218.db2.gz YWDOEGIESKZLAF-IBGZPJMESA-N 2 0 344.499 3.500 20 0 EGADRP COc1cccc(SCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293155 461170483 /nfs/dbraw/zinc/17/04/83/461170483.db2.gz KEMPZVULRIBFFY-KRWDZBQOSA-N 2 0 334.529 3.499 20 0 EGADRP C[N@@H+]1CCC[C@H]1CN1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185037 /nfs/dbraw/zinc/18/50/37/461185037.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1cncc(CC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000649585202 461196367 /nfs/dbraw/zinc/19/63/67/461196367.db2.gz ONRSNZWASSEXSE-LFUKPOHLSA-N 2 0 338.499 3.074 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662356162 461206469 /nfs/dbraw/zinc/20/64/69/461206469.db2.gz NRHVOXACCVWJPZ-UHFFFAOYSA-N 2 0 337.467 3.062 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662418033 461238053 /nfs/dbraw/zinc/23/80/53/461238053.db2.gz KYBFFFMHGBDDSC-GOSISDBHSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000665739051 461239613 /nfs/dbraw/zinc/23/96/13/461239613.db2.gz PVQDAILEHWPTNY-QGZVFWFLSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)C1 ZINC000655444021 461254230 /nfs/dbraw/zinc/25/42/30/461254230.db2.gz HCPHNCHZLFDLEV-PBEJRMEISA-N 2 0 341.499 3.247 20 0 EGADRP OC1(C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC000649670248 461262404 /nfs/dbraw/zinc/26/24/04/461262404.db2.gz FQWXYJYCJBDLQR-UHFFFAOYSA-N 2 0 328.500 3.409 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638135009 461266021 /nfs/dbraw/zinc/26/60/21/461266021.db2.gz RBJPCLDJPAZIJP-SFHVURJKSA-N 2 0 327.472 3.168 20 0 EGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc2c1C[NH2+]C2 ZINC000662526429 461281834 /nfs/dbraw/zinc/28/18/34/461281834.db2.gz YPKIBNRINMYBRH-OAQYLSRUSA-N 2 0 349.478 3.247 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000662558726 461296692 /nfs/dbraw/zinc/29/66/92/461296692.db2.gz JKVNHMNSLXUECY-NSHDSACASA-N 2 0 331.382 3.114 20 0 EGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668511233 461309006 /nfs/dbraw/zinc/30/90/06/461309006.db2.gz DRCVDYZLEPJFDB-KRWDZBQOSA-N 2 0 339.483 3.220 20 0 EGADRP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c(-c2ccccc2)n1 ZINC000641713912 461334325 /nfs/dbraw/zinc/33/43/25/461334325.db2.gz VLBZHNWOQFCEAF-QGZVFWFLSA-N 2 0 326.488 3.392 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)cc1 ZINC000638309527 461358376 /nfs/dbraw/zinc/35/83/76/461358376.db2.gz RJMZTJNREMNZQI-APWZRJJASA-N 2 0 331.504 3.065 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CS1 ZINC000638335617 461375012 /nfs/dbraw/zinc/37/50/12/461375012.db2.gz QECGENRIGWMILH-NNFUDEMPSA-N 2 0 334.529 3.279 20 0 EGADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000641807769 461382158 /nfs/dbraw/zinc/38/21/58/461382158.db2.gz RWVSYVBGWBHDTC-CHWSQXEVSA-N 2 0 330.259 3.037 20 0 EGADRP c1ccc([C@@H]2C[C@@H](NC[C@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638360637 461385542 /nfs/dbraw/zinc/38/55/42/461385542.db2.gz XQMQOVCSRINWDI-LZNRXBQRSA-N 2 0 339.527 3.428 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000638387290 461401021 /nfs/dbraw/zinc/40/10/21/461401021.db2.gz VZLGEIOHSQUOFR-ZWKOTPCHSA-N 2 0 333.545 3.072 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccccc2C(F)(F)F)CC1 ZINC000638406424 461414117 /nfs/dbraw/zinc/41/41/17/461414117.db2.gz SDPKRHDPOHLYFD-UHFFFAOYSA-N 2 0 344.421 3.073 20 0 EGADRP CC(=O)c1nc(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[nH]c1C ZINC000659838626 461446505 /nfs/dbraw/zinc/44/65/05/461446505.db2.gz NLORPRGCYQTJDJ-UHFFFAOYSA-N 2 0 346.519 3.051 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088923 461450578 /nfs/dbraw/zinc/45/05/78/461450578.db2.gz ZUAOIDVFMMGTAD-SJLPKXTDSA-N 2 0 349.950 3.061 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666088737 461450615 /nfs/dbraw/zinc/45/06/15/461450615.db2.gz QAIVXZIGSVCBQO-DLBZAZTESA-N 2 0 336.907 3.024 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666111381 461456381 /nfs/dbraw/zinc/45/63/81/461456381.db2.gz IBBXDQJNONTGSJ-FFZOFVMBSA-N 2 0 348.918 3.165 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(CC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000659863144 461464901 /nfs/dbraw/zinc/46/49/01/461464901.db2.gz GPSQAPXCXPTHCK-HBMCJLEFSA-N 2 0 335.580 3.408 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659869338 461471429 /nfs/dbraw/zinc/47/14/29/461471429.db2.gz UGHXUORBHHPWEB-GOSISDBHSA-N 2 0 347.528 3.294 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000638553865 461481504 /nfs/dbraw/zinc/48/15/04/461481504.db2.gz UGRGFOKUSXHJFH-PZJWPPBQSA-N 2 0 347.547 3.016 20 0 EGADRP C[C@@H]([NH2+]CCC1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638567468 461489372 /nfs/dbraw/zinc/48/93/72/461489372.db2.gz MOJKDLIAJIRMES-MRXNPFEDSA-N 2 0 349.494 3.045 20 0 EGADRP COCCc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000631038151 461490358 /nfs/dbraw/zinc/49/03/58/461490358.db2.gz SVSPXQANXWINPV-UHFFFAOYSA-N 2 0 345.512 3.218 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)C1 ZINC000631042942 461496198 /nfs/dbraw/zinc/49/61/98/461496198.db2.gz YLHPHJXXRMQAOC-MRXNPFEDSA-N 2 0 325.456 3.309 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655850300 461498591 /nfs/dbraw/zinc/49/85/91/461498591.db2.gz UIDNJOOBWNJXSO-FGZHOGPDSA-N 2 0 341.543 3.300 20 0 EGADRP CC(C)CNC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000659927708 461501670 /nfs/dbraw/zinc/50/16/70/461501670.db2.gz HVINRUDSDAOIRG-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000653106197 461504717 /nfs/dbraw/zinc/50/47/17/461504717.db2.gz WSXPZWFVLBYGKL-BMGDILEWSA-N 2 0 349.906 3.111 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653122660 461511319 /nfs/dbraw/zinc/51/13/19/461511319.db2.gz ADTAAPQVFVSWHB-HXUWFJFHSA-N 2 0 345.531 3.315 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000631062761 461515072 /nfs/dbraw/zinc/51/50/72/461515072.db2.gz AUKVJDVIMQPLRB-IPLHWJFFSA-N 2 0 329.532 3.098 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000631064905 461518136 /nfs/dbraw/zinc/51/81/36/461518136.db2.gz UPGXSXYNOOOPJQ-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc3ccccc3n2C)C[C@@H](C)O1 ZINC000638680561 461532460 /nfs/dbraw/zinc/53/24/60/461532460.db2.gz DZOSFJUIQZIQLK-IAGOWNOFSA-N 2 0 329.488 3.157 20 0 EGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631091100 461541533 /nfs/dbraw/zinc/54/15/33/461541533.db2.gz KKXUSULUDRGZQB-RTWAWAEBSA-N 2 0 342.458 3.446 20 0 EGADRP CC[N@H+](CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000653200383 461554147 /nfs/dbraw/zinc/55/41/47/461554147.db2.gz CRQPIDULVVRJAB-AYHJJNSGSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663346252 461576960 /nfs/dbraw/zinc/57/69/60/461576960.db2.gz RPSALUFRWBZMQT-QIJUGHKUSA-N 2 0 341.543 3.219 20 0 EGADRP O=c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631139707 461584285 /nfs/dbraw/zinc/58/42/85/461584285.db2.gz IGJQOKWFXRLJFF-LJQANCHMSA-N 2 0 325.456 3.179 20 0 EGADRP CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000647243089 461584947 /nfs/dbraw/zinc/58/49/47/461584947.db2.gz DAUJPJHKACUBTN-MJGOQNOKSA-N 2 0 347.547 3.104 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2cc1OCC ZINC000643034043 461594742 /nfs/dbraw/zinc/59/47/42/461594742.db2.gz TUWQYIKQCSPMFW-WMLDXEAASA-N 2 0 341.455 3.220 20 0 EGADRP Cc1noc(C2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)n1 ZINC000663467277 461657051 /nfs/dbraw/zinc/65/70/51/461657051.db2.gz ZUPAOHNZKNACNR-WWDZGPRUSA-N 2 0 332.492 3.116 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663467097 461658028 /nfs/dbraw/zinc/65/80/28/461658028.db2.gz ZNFLTCXTWJPTFO-QRVBRYPASA-N 2 0 330.520 3.158 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000643295896 461670851 /nfs/dbraw/zinc/67/08/51/461670851.db2.gz OVHXULOVYNGATM-UHFFFAOYSA-N 2 0 340.515 3.160 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000639061648 461699558 /nfs/dbraw/zinc/69/95/58/461699558.db2.gz ORJQLKVDBWPOLJ-MRXNPFEDSA-N 2 0 344.421 3.157 20 0 EGADRP Cc1nc2c(n1[C@H]1CC[N@@H+]([C@@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076830 461711063 /nfs/dbraw/zinc/71/10/63/461711063.db2.gz RHSVBOCQAJTBPM-YOEHRIQHSA-N 2 0 339.487 3.485 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC[N@@H+]1C ZINC000631338903 461718961 /nfs/dbraw/zinc/71/89/61/461718961.db2.gz OJRURXWUMWWSEH-LSTHTHJFSA-N 2 0 343.515 3.059 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000639094727 461723373 /nfs/dbraw/zinc/72/33/73/461723373.db2.gz UWEDWMQHWUQYQV-UHFFFAOYSA-N 2 0 334.504 3.109 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000643480294 461742918 /nfs/dbraw/zinc/74/29/18/461742918.db2.gz SMYUUNAQQRBJNS-HODLZWQNSA-N 3 0 341.543 3.394 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000643503484 461749256 /nfs/dbraw/zinc/74/92/56/461749256.db2.gz FZNGJYXCBBGIQV-LMWSTFAQSA-N 2 0 343.393 3.282 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643522526 461752628 /nfs/dbraw/zinc/75/26/28/461752628.db2.gz OKSUJQOZUSCFMQ-UYAOXDASSA-N 2 0 325.456 3.106 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522325 461752679 /nfs/dbraw/zinc/75/26/79/461752679.db2.gz LRFSCKUVFLCULY-ABAIWWIYSA-N 2 0 327.241 3.307 20 0 EGADRP Clc1ccccc1Cn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000647542575 461754343 /nfs/dbraw/zinc/75/43/43/461754343.db2.gz NKSWNGHJFQSFLD-UHFFFAOYSA-N 2 0 344.890 3.160 20 0 EGADRP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535038 461754699 /nfs/dbraw/zinc/75/46/99/461754699.db2.gz HXCZJNGPZJGQES-LSDHHAIUSA-N 2 0 325.378 3.210 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534671 461755139 /nfs/dbraw/zinc/75/51/39/461755139.db2.gz ZRNKEZSRXUWNHK-LSDHHAIUSA-N 2 0 339.252 3.307 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536445 461756115 /nfs/dbraw/zinc/75/61/15/461756115.db2.gz QVVWPHOFLVZCPJ-NHYWBVRUSA-N 2 0 341.268 3.251 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543093 461756636 /nfs/dbraw/zinc/75/66/36/461756636.db2.gz HNDZCLMHLMXQJQ-DLBZAZTESA-N 2 0 342.462 3.427 20 0 EGADRP Cc1cc([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2cccnc2)ccc1F ZINC000643536482 461756769 /nfs/dbraw/zinc/75/67/69/461756769.db2.gz UBHWCNBXKDHCJU-RBUKOAKNSA-N 2 0 325.431 3.350 20 0 EGADRP CCn1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC000647543347 461757340 /nfs/dbraw/zinc/75/73/40/461757340.db2.gz LOUYNGGRTDQLMV-IRXDYDNUSA-N 2 0 326.488 3.268 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542874 461757697 /nfs/dbraw/zinc/75/76/97/461757697.db2.gz DHAVTLBAQNMMPX-HOTGVXAUSA-N 2 0 342.512 3.417 20 0 EGADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543681 461760108 /nfs/dbraw/zinc/76/01/08/461760108.db2.gz RCSMOGAHYKIAFH-CABCVRRESA-N 2 0 330.501 3.350 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643548333 461760546 /nfs/dbraw/zinc/76/05/46/461760546.db2.gz NYJMUYQLLDVQHD-VYDXJSESSA-N 2 0 332.488 3.460 20 0 EGADRP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643547861 461760628 /nfs/dbraw/zinc/76/06/28/461760628.db2.gz JWGFNQRAHHKTIQ-WMLDXEAASA-N 2 0 329.444 3.495 20 0 EGADRP C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643549064 461761447 /nfs/dbraw/zinc/76/14/47/461761447.db2.gz ZSLWGAUDZXKPDQ-IHPCNDPISA-N 2 0 327.516 3.161 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498705 461767768 /nfs/dbraw/zinc/76/77/68/461767768.db2.gz AHABNLNORGWSAS-VBSBHUPXSA-N 2 0 346.540 3.399 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1nc(-c3cccc(Cl)c3)no1)CC[NH2+]CC2 ZINC000643895254 461832634 /nfs/dbraw/zinc/83/26/34/461832634.db2.gz LAKYVSTVZUFGQV-ZDUSSCGKSA-N 2 0 346.862 3.354 20 0 EGADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)nc1 ZINC000647783868 461833236 /nfs/dbraw/zinc/83/32/36/461833236.db2.gz DDARXBNCGMVEMC-GUDVDZBRSA-N 2 0 337.467 3.138 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000647786177 461834273 /nfs/dbraw/zinc/83/42/73/461834273.db2.gz JSZPJKMBEMHDJM-RCCFBDPRSA-N 2 0 332.488 3.004 20 0 EGADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000647792076 461836839 /nfs/dbraw/zinc/83/68/39/461836839.db2.gz SHIYBIDONHPQKT-BFHYXJOUSA-N 2 0 341.268 3.108 20 0 EGADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000647790024 461836965 /nfs/dbraw/zinc/83/69/65/461836965.db2.gz QAGRVEDBSSGOJT-RCCFBDPRSA-N 2 0 325.456 3.170 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792342 461837046 /nfs/dbraw/zinc/83/70/46/461837046.db2.gz ZKMDMNXGNWTGSL-ILWGZMRPSA-N 3 0 341.543 3.396 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1Cl ZINC000647794108 461838711 /nfs/dbraw/zinc/83/87/11/461838711.db2.gz RHAZDSLNLJSMMN-XQLPTFJDSA-N 2 0 337.870 3.036 20 0 EGADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647797062 461839908 /nfs/dbraw/zinc/83/99/08/461839908.db2.gz WQZJDUMBSAJFDN-DYUTYFHPSA-N 2 0 336.426 3.242 20 0 EGADRP Brc1ccc(/C=C\C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647798973 461841248 /nfs/dbraw/zinc/84/12/48/461841248.db2.gz ZWOCWPKQKNMUOJ-SAWVTAHQSA-N 2 0 335.289 3.440 20 0 EGADRP C[N@H+](CC[C@H]1Sc2ccccc2NC1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542396 461843588 /nfs/dbraw/zinc/84/35/88/461843588.db2.gz PMIBAIHHKPMAKO-JCHQDKQGSA-N 2 0 345.512 3.047 20 0 EGADRP COc1ccc(C[N@@H+]2CCCN(c3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000647851941 461859853 /nfs/dbraw/zinc/85/98/53/461859853.db2.gz SOYWRBYDNSWONU-UHFFFAOYSA-N 2 0 336.439 3.284 20 0 EGADRP C[N@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647881559 461868528 /nfs/dbraw/zinc/86/85/28/461868528.db2.gz JQSFQBPKHYECJV-MRXNPFEDSA-N 2 0 344.478 3.470 20 0 EGADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000647884919 461870973 /nfs/dbraw/zinc/87/09/73/461870973.db2.gz KLTCIQZNKKQFGV-GOSISDBHSA-N 2 0 349.906 3.157 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(-c2cc3ccccc3o2)n1 ZINC000666952208 461885474 /nfs/dbraw/zinc/88/54/74/461885474.db2.gz KJHIVAYTEUSCKQ-GOSISDBHSA-N 2 0 336.439 3.065 20 0 EGADRP Clc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000666955462 461887654 /nfs/dbraw/zinc/88/76/54/461887654.db2.gz MIIHCUGEAAFRFN-ZDUSSCGKSA-N 2 0 329.669 3.334 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000666975907 461895239 /nfs/dbraw/zinc/89/52/39/461895239.db2.gz GTKPRHKHLIJEMD-FQEVSTJZSA-N 2 0 337.467 3.149 20 0 EGADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647938359 461896243 /nfs/dbraw/zinc/89/62/43/461896243.db2.gz KQLBOQKYBZUVAO-YJBOKZPZSA-N 2 0 325.456 3.228 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785926 461896359 /nfs/dbraw/zinc/89/63/59/461896359.db2.gz NJAXEJVLXYYQIL-KRWDZBQOSA-N 2 0 342.462 3.427 20 0 EGADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656786274 461897498 /nfs/dbraw/zinc/89/74/98/461897498.db2.gz RIJKVNDEBKVACZ-FQEVSTJZSA-N 2 0 338.499 3.143 20 0 EGADRP CCN(CC)c1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656786433 461898341 /nfs/dbraw/zinc/89/83/41/461898341.db2.gz SOVCGMQJILRXNJ-INIZCTEOSA-N 2 0 336.549 3.201 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707336 461900734 /nfs/dbraw/zinc/90/07/34/461900734.db2.gz CXKTZLUFFKGJCQ-TWOQFEAHSA-N 2 0 328.456 3.460 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000650707535 461901188 /nfs/dbraw/zinc/90/11/88/461901188.db2.gz HZTIMBCDWZDXHG-SBHAEUEKSA-N 2 0 344.499 3.194 20 0 EGADRP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)c2O1 ZINC000650708279 461901366 /nfs/dbraw/zinc/90/13/66/461901366.db2.gz WXSAISBMZRVQGH-WDSOQIARSA-N 2 0 344.499 3.118 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000650707636 461901898 /nfs/dbraw/zinc/90/18/98/461901898.db2.gz JZQOMZQNYANUPK-XYPHTWIQSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000650707547 461902060 /nfs/dbraw/zinc/90/20/60/461902060.db2.gz IJLGDGVOOZNDSS-CPUCHLNUSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000639389899 461906845 /nfs/dbraw/zinc/90/68/45/461906845.db2.gz TTWVAGXJZVIJAF-CYBMUJFWSA-N 2 0 338.411 3.248 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000660655467 461908238 /nfs/dbraw/zinc/90/82/38/461908238.db2.gz NMLMFNSHDSWPIE-SFHVURJKSA-N 2 0 335.879 3.086 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(C[NH3+])cc2F)CC1 ZINC000650717906 461909312 /nfs/dbraw/zinc/90/93/12/461909312.db2.gz QJNKVRFPNOHMFE-QRWLVFNGSA-N 2 0 333.495 3.417 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660913 461911137 /nfs/dbraw/zinc/91/11/37/461911137.db2.gz BEDAUKHZTSHRAP-FGZHOGPDSA-N 2 0 338.495 3.161 20 0 EGADRP OC1(CNc2[nH+]ccc3[nH]ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000664014734 461914184 /nfs/dbraw/zinc/91/41/84/461914184.db2.gz DIOMUOSPRMVOMF-UHFFFAOYSA-N 2 0 336.439 3.002 20 0 EGADRP CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975265 461916405 /nfs/dbraw/zinc/91/64/05/461916405.db2.gz SZQVYNPEKOEXHF-HOTGVXAUSA-N 2 0 347.528 3.059 20 0 EGADRP CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975266 461916602 /nfs/dbraw/zinc/91/66/02/461916602.db2.gz SZQVYNPEKOEXHF-HZPDHXFCSA-N 2 0 347.528 3.059 20 0 EGADRP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1C ZINC000647978330 461920573 /nfs/dbraw/zinc/92/05/73/461920573.db2.gz PZKOVXZSZGFEOH-DLBZAZTESA-N 2 0 349.544 3.323 20 0 EGADRP c1ccc2c(c1)cncc2N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647991567 461927195 /nfs/dbraw/zinc/92/71/95/461927195.db2.gz MGQARWNAZSTGFX-UHFFFAOYSA-N 2 0 338.499 3.137 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)OCCO2 ZINC000650752932 461934294 /nfs/dbraw/zinc/93/42/94/461934294.db2.gz CUIAPUGJTPMRMT-QGZVFWFLSA-N 2 0 330.403 3.297 20 0 EGADRP O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cccc(Oc2ccncc2)c1 ZINC000667099705 461949401 /nfs/dbraw/zinc/94/94/01/461949401.db2.gz TUHVIDBCTTZAMW-HNNXBMFYSA-N 2 0 326.400 3.138 20 0 EGADRP CC[C@H]1CN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC[C@@H]1[NH3+] ZINC000667099719 461949419 /nfs/dbraw/zinc/94/94/19/461949419.db2.gz UNUUUFKZWGBZEG-KSSFIOAISA-N 2 0 340.427 3.465 20 0 EGADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639553585 461985678 /nfs/dbraw/zinc/98/56/78/461985678.db2.gz OQKAWBCSOVQYDS-AZUAARDMSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000644563151 461987798 /nfs/dbraw/zinc/98/77/98/461987798.db2.gz NVAWEPSLPBYCBI-VQIMIIECSA-N 2 0 348.531 3.044 20 0 EGADRP CCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000667196042 461991542 /nfs/dbraw/zinc/99/15/42/461991542.db2.gz NSKMFNVVFAAJFU-IEBWSBKVSA-N 2 0 344.503 3.184 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000657353889 462066699 /nfs/dbraw/zinc/06/66/99/462066699.db2.gz KSKQPYWJAOBIMD-INIZCTEOSA-N 2 0 329.513 3.141 20 0 EGADRP Cn1nccc1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639725169 462077591 /nfs/dbraw/zinc/07/75/91/462077591.db2.gz IERJIRKRJIHBHP-UHFFFAOYSA-N 2 0 338.499 3.298 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657398849 462096847 /nfs/dbraw/zinc/09/68/47/462096847.db2.gz DBYGLABWTZJKFU-MSOLQXFVSA-N 2 0 345.512 3.154 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cc21 ZINC000657398928 462097298 /nfs/dbraw/zinc/09/72/98/462097298.db2.gz FZXYJRPQFASIAC-RTWAWAEBSA-N 2 0 341.499 3.334 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000667543581 462135202 /nfs/dbraw/zinc/13/52/02/462135202.db2.gz DHGHFCVGRFTMBU-KRWDZBQOSA-N 2 0 334.504 3.264 20 0 EGADRP Cc1cccc2[nH]c(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc21 ZINC000667608531 462171499 /nfs/dbraw/zinc/17/14/99/462171499.db2.gz JGAUDIAWSPHZMC-MRXNPFEDSA-N 2 0 329.488 3.001 20 0 EGADRP COc1ccc(C)cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611696 462202164 /nfs/dbraw/zinc/20/21/64/462202164.db2.gz DBGMLLJAHXSVPB-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000657613241 462204541 /nfs/dbraw/zinc/20/45/41/462204541.db2.gz JMFLAKULCWKIRI-UXHICEINSA-N 2 0 331.504 3.087 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000645157984 462206305 /nfs/dbraw/zinc/20/63/05/462206305.db2.gz ZCWAVAGPSALFKL-YJBOKZPZSA-N 2 0 349.906 3.125 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H](Nc2ncnc3[nH]c(C)c(C)c32)[C@H](C)C1 ZINC000645174317 462216406 /nfs/dbraw/zinc/21/64/06/462216406.db2.gz STEUSXSOBWIIAO-CZUORRHYSA-N 2 0 345.491 3.124 20 0 EGADRP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657677980 462225699 /nfs/dbraw/zinc/22/56/99/462225699.db2.gz KPIMCQVQONLZFJ-MRXNPFEDSA-N 2 0 347.469 3.400 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000645198568 462229030 /nfs/dbraw/zinc/22/90/30/462229030.db2.gz ZDJHBUZPHANEDW-UHFFFAOYSA-N 2 0 342.487 3.441 20 0 EGADRP CO[C@@](C)(C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000648730727 462250218 /nfs/dbraw/zinc/25/02/18/462250218.db2.gz FQVKRUZASHPHPJ-NRFANRHFSA-N 2 0 342.483 3.278 20 0 EGADRP CO[C@](C)(C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000648730728 462250265 /nfs/dbraw/zinc/25/02/65/462250265.db2.gz FQVKRUZASHPHPJ-OAQYLSRUSA-N 2 0 342.483 3.278 20 0 EGADRP COCCc1ccc(OC[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000667777387 462258564 /nfs/dbraw/zinc/25/85/64/462258564.db2.gz XAOMTIJKELNORG-GOSISDBHSA-N 2 0 348.531 3.353 20 0 EGADRP c1ccc(-c2ncc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC000657811880 462278365 /nfs/dbraw/zinc/27/83/65/462278365.db2.gz JDJNIUROCCFLLH-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP Brc1cnc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657813324 462280108 /nfs/dbraw/zinc/28/01/08/462280108.db2.gz OEUQAWBSLNFCFZ-UHFFFAOYSA-N 2 0 344.322 3.117 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000657838168 462291276 /nfs/dbraw/zinc/29/12/76/462291276.db2.gz ZHRKDGSRWDPOHD-APWZRJJASA-N 2 0 337.939 3.277 20 0 EGADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657843512 462293610 /nfs/dbraw/zinc/29/36/10/462293610.db2.gz CVVMAWNDJWZXHK-IRXDYDNUSA-N 2 0 344.421 3.073 20 0 EGADRP COC[C@H](CC(C)(C)C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000651663191 462294418 /nfs/dbraw/zinc/29/44/18/462294418.db2.gz BRELUTZRHHDMGH-VQTJNVASSA-N 2 0 347.547 3.016 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000657872727 462304583 /nfs/dbraw/zinc/30/45/83/462304583.db2.gz PEUWTGASIUTANZ-IBGZPJMESA-N 2 0 337.939 3.278 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651728649 462318797 /nfs/dbraw/zinc/31/87/97/462318797.db2.gz FWOOIGUDLCZUNM-UHFFFAOYSA-N 2 0 341.503 3.115 20 0 EGADRP OCCN1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657942944 462324623 /nfs/dbraw/zinc/32/46/23/462324623.db2.gz GHYUXILKBWIBDT-PKOBYXMFSA-N 2 0 336.907 3.413 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240523 462364750 /nfs/dbraw/zinc/36/47/50/462364750.db2.gz MXHBITGVBOKXPR-NQIIRXRSSA-N 3 0 344.547 3.194 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070044 462367726 /nfs/dbraw/zinc/36/77/26/462367726.db2.gz UASOWWLPDAQASC-NRFANRHFSA-N 2 0 328.500 3.463 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277143 462380015 /nfs/dbraw/zinc/38/00/15/462380015.db2.gz UVJXYABXAHCMPR-AQNXPRMDSA-N 2 0 327.516 3.148 20 0 EGADRP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658091087 462380484 /nfs/dbraw/zinc/38/04/84/462380484.db2.gz KXSPKZHNVCTROC-IHPCNDPISA-N 2 0 329.532 3.359 20 0 EGADRP c1ccc([C@@H]2C[C@H](NC[C@@H]3CCC[N@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299673 462391399 /nfs/dbraw/zinc/39/13/99/462391399.db2.gz RBEKVVXIJUTFAH-TYPHKJRUSA-N 3 0 327.516 3.191 20 0 EGADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000658168080 462416077 /nfs/dbraw/zinc/41/60/77/462416077.db2.gz VPDZVRYKEDGVFV-AQNXPRMDSA-N 2 0 343.515 3.087 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150996 462452461 /nfs/dbraw/zinc/45/24/61/462452461.db2.gz GFBRHCHQXMHZOG-GOEBONIOSA-N 2 0 336.476 3.095 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c2c1 ZINC000649278350 462465374 /nfs/dbraw/zinc/46/53/74/462465374.db2.gz NLKSRIQBDDMGOC-GOSISDBHSA-N 2 0 338.499 3.013 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)C1CC[NH+](C)CC1 ZINC000658346517 462484199 /nfs/dbraw/zinc/48/41/99/462484199.db2.gz CEKUDCIMOVJMOO-UWJYYQICSA-N 2 0 346.515 3.202 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000658352595 462486788 /nfs/dbraw/zinc/48/67/88/462486788.db2.gz HBXHSCBASVXSHK-INIZCTEOSA-N 2 0 343.515 3.161 20 0 EGADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355816 462487989 /nfs/dbraw/zinc/48/79/89/462487989.db2.gz KUNANBUHVIOWRY-KRWDZBQOSA-N 2 0 343.515 3.140 20 0 EGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356622 462488278 /nfs/dbraw/zinc/48/82/78/462488278.db2.gz KLFWOUGCZIBBOC-QGZVFWFLSA-N 2 0 343.515 3.424 20 0 EGADRP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000154084289 533903474 /nfs/dbraw/zinc/90/34/74/533903474.db2.gz OBGFAOAMRGHWIF-QFBILLFUSA-N 2 0 345.487 3.174 20 0 EGADRP C[C@@H](C[NH2+]C1c2ccccc2-c2ccccc21)CN1CC[NH+](C)CC1 ZINC000183790586 534054346 /nfs/dbraw/zinc/05/43/46/534054346.db2.gz WUSHLXPRKUUCOO-KRWDZBQOSA-N 2 0 335.495 3.230 20 0 EGADRP Cc1cc(NC(=O)c2ccccc2C[NH+](C)C)ccc1C[NH+](C)C ZINC000458260822 518187786 /nfs/dbraw/zinc/18/77/86/518187786.db2.gz ILSPMILZIPIOAU-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184222526 528834930 /nfs/dbraw/zinc/83/49/30/528834930.db2.gz YTAJQJWLZWJOKC-UHFFFAOYSA-N 2 0 345.531 3.442 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2nc3ccccc3s2)CC1 ZINC000191411087 529040339 /nfs/dbraw/zinc/04/03/39/529040339.db2.gz LIYHGCMNJLCWLL-UHFFFAOYSA-N 2 0 346.544 3.144 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187765841 529145364 /nfs/dbraw/zinc/14/53/64/529145364.db2.gz HFQNRKRHNIXPJD-LEWJYISDSA-N 2 0 329.532 3.114 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347912198 535330181 /nfs/dbraw/zinc/33/01/81/535330181.db2.gz TVPCOXCJIZCDAI-HXUWFJFHSA-N 2 0 345.531 3.089 20 0 EGADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090723341 546660269 /nfs/dbraw/zinc/66/02/69/546660269.db2.gz BVDOPUNJQVKXOZ-WOJBJXKFSA-N 2 0 344.499 3.099 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(N(C)C)nc2)C1 ZINC000120634993 546716470 /nfs/dbraw/zinc/71/64/70/546716470.db2.gz TXGGASWUGNDGNW-IEBWSBKVSA-N 2 0 330.520 3.234 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000153395759 546880240 /nfs/dbraw/zinc/88/02/40/546880240.db2.gz KLERXPWKXGNGJW-XLIONFOSSA-N 2 0 345.531 3.152 20 0 EGADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000154810845 546895253 /nfs/dbraw/zinc/89/52/53/546895253.db2.gz YWBOOOLLYSVTSZ-MRXNPFEDSA-N 2 0 331.504 3.491 20 0 EGADRP COc1ccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000156678692 546913601 /nfs/dbraw/zinc/91/36/01/546913601.db2.gz FPZSFQRKTRWBNW-LAUBAEHRSA-N 2 0 345.531 3.152 20 0 EGADRP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166197936 546986807 /nfs/dbraw/zinc/98/68/07/546986807.db2.gz KHRHDFADQJRUPJ-HUUCEWRRSA-N 2 0 328.378 3.344 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000280026626 547368743 /nfs/dbraw/zinc/36/87/43/547368743.db2.gz HTGSJOVPOCEZDP-SFHVURJKSA-N 2 0 330.472 3.155 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000339068915 547568318 /nfs/dbraw/zinc/56/83/18/547568318.db2.gz RYKKWGIZDZWRRB-ZJOUEHCJSA-N 2 0 343.515 3.049 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072815 547568600 /nfs/dbraw/zinc/56/86/00/547568600.db2.gz XZBHJQIAXCMBEK-UXHICEINSA-N 2 0 345.531 3.124 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000339068714 547569108 /nfs/dbraw/zinc/56/91/08/547569108.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 2 0 327.516 3.256 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348100155 547627091 /nfs/dbraw/zinc/62/70/91/547627091.db2.gz FBJKPTSLZAIIML-RTWAWAEBSA-N 2 0 327.516 3.102 20 0 EGADRP C[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)(C)C ZINC000670267181 548194315 /nfs/dbraw/zinc/19/43/15/548194315.db2.gz UXCPONJQFCJZKZ-APWZRJJASA-N 2 0 345.531 3.156 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[NH+](CC)CC ZINC000673637544 548585755 /nfs/dbraw/zinc/58/57/55/548585755.db2.gz MZJWNGZGRUKKRV-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CC(C)(C)c1ccccc1 ZINC000673851978 548639535 /nfs/dbraw/zinc/63/95/35/548639535.db2.gz GNJWNIPCFZCNKN-UHFFFAOYSA-N 2 0 341.499 3.480 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C[C@@H](C)O1 ZINC000675784218 548980767 /nfs/dbraw/zinc/98/07/67/548980767.db2.gz WNRFTNKCZYIWIZ-SPYBWZPUSA-N 2 0 336.907 3.286 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000675873461 548995253 /nfs/dbraw/zinc/99/52/53/548995253.db2.gz MGYHLJRDVVLGEB-AUUYWEPGSA-N 2 0 333.907 3.085 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CC)[C@H](C)C2)cc1)C(C)C ZINC000677183041 549224675 /nfs/dbraw/zinc/22/46/75/549224675.db2.gz OKNDBQQISUSKKA-QGZVFWFLSA-N 2 0 331.504 3.083 20 0 EGADRP CC[N@H+](CCCC1CC[NH+]([C@H]2CCCOC2)CC1)[C@@H]1CCCOC1 ZINC000677992658 549371892 /nfs/dbraw/zinc/37/18/92/549371892.db2.gz NYQFWPWZAQDZSR-UXHICEINSA-N 2 0 338.536 3.159 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678195011 549422246 /nfs/dbraw/zinc/42/22/46/549422246.db2.gz CBFCBEAOBSTBJB-UHFFFAOYSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)S1 ZINC000678216041 549427731 /nfs/dbraw/zinc/42/77/31/549427731.db2.gz AZIZSQXGSMKBCO-IRXDYDNUSA-N 2 0 334.529 3.487 20 0 EGADRP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000678718716 549547262 /nfs/dbraw/zinc/54/72/62/549547262.db2.gz APQPODSWQGWBPW-HXUWFJFHSA-N 2 0 329.532 3.212 20 0 EGADRP Cc1nc2ccccc2n1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000680773890 549905039 /nfs/dbraw/zinc/90/50/39/549905039.db2.gz CRMHFLFQHIAFDA-GOOCMWNKSA-N 2 0 337.427 3.116 20 0 EGADRP CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682789556 550144049 /nfs/dbraw/zinc/14/40/49/550144049.db2.gz RELNTPUYPAVGLV-FQEVSTJZSA-N 2 0 334.504 3.000 20 0 EGADRP C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000683146016 550196105 /nfs/dbraw/zinc/19/61/05/550196105.db2.gz FSBWJPJQMPYSMQ-FVCZOJIISA-N 2 0 332.488 3.001 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929877 550274724 /nfs/dbraw/zinc/27/47/24/550274724.db2.gz XRNCHLMTYZOJMF-PMACEKPBSA-N 2 0 327.472 3.025 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C2CC2)O1 ZINC000684411150 550326699 /nfs/dbraw/zinc/32/66/99/550326699.db2.gz BBLSVHFXPXWYMC-UTKZUKDTSA-N 2 0 344.499 3.161 20 0 EGADRP CO[C@]1(C)CCC[NH+](C/C=C\C[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000684622747 550349822 /nfs/dbraw/zinc/34/98/22/550349822.db2.gz AHAKANWSVSDGQI-SBUVDCAVSA-N 2 0 338.536 3.325 20 0 EGADRP C[N@H+](C/C=C/c1ccc(F)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457197 550419067 /nfs/dbraw/zinc/41/90/67/550419067.db2.gz JNXOVAASSYORHQ-RTLBZRNLSA-N 2 0 349.469 3.078 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OCC ZINC000685470762 550421166 /nfs/dbraw/zinc/42/11/66/550421166.db2.gz QAFHBFSFBUBAON-QZTJIDSGSA-N 2 0 332.488 3.400 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000728571664 574759138 /nfs/dbraw/zinc/75/91/38/574759138.db2.gz JPVQZNMNKMUSGC-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000729525179 574868089 /nfs/dbraw/zinc/86/80/89/574868089.db2.gz GBIQUUXZPQVERB-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729690368 574880373 /nfs/dbraw/zinc/88/03/73/574880373.db2.gz FZTBETIHIQCXKZ-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]CCCCCCC[NH+]3CCCC3)cc12 ZINC000731450702 575074720 /nfs/dbraw/zinc/07/47/20/575074720.db2.gz YTXCVHYMPMJPMF-UHFFFAOYSA-N 2 0 343.519 3.413 20 0 EGADRP CC[NH+](CC)CCCN(C)C[C@H](O)c1cccc(Br)c1 ZINC000731846890 575211999 /nfs/dbraw/zinc/21/19/99/575211999.db2.gz QVPRLRHGVSSTIX-INIZCTEOSA-N 2 0 343.309 3.146 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000732273851 575252475 /nfs/dbraw/zinc/25/24/75/575252475.db2.gz DRPLUONLBMZRQW-FHWLQOOXSA-N 2 0 337.552 3.362 20 0 EGADRP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000693665692 1298151248 /nfs/dbraw/zinc/15/12/48/1298151248.db2.gz UIRBJITWMQTKFO-VQTJNVASSA-N 3 0 329.532 3.109 20 0 EGADRP Cc1cc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000030660649 1291352266 /nfs/dbraw/zinc/35/22/66/1291352266.db2.gz JJTSODBWVCCTJA-UHFFFAOYSA-N 2 0 338.499 3.048 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnc(-c3ccccc3)nc2)c1 ZINC000048709881 1291617539 /nfs/dbraw/zinc/61/75/39/1291617539.db2.gz ASLCOHYDKHDQFF-UHFFFAOYSA-N 2 0 332.451 3.495 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000068448123 1292202533 /nfs/dbraw/zinc/20/25/33/1292202533.db2.gz NGUHXRKIXXJQDJ-LJQANCHMSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCCC1 ZINC000074465171 1292350190 /nfs/dbraw/zinc/35/01/90/1292350190.db2.gz FZBZBPLVCDSTJK-KRWDZBQOSA-N 2 0 329.488 3.485 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2cccc(C[NH3+])c2)[NH+]2CCCC2)cc1 ZINC000827919930 1292402964 /nfs/dbraw/zinc/40/29/64/1292402964.db2.gz REZHXWBBSNPWDL-HXUWFJFHSA-N 2 0 337.467 3.021 20 0 EGADRP Cc1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c(C)c1 ZINC000076400318 1292428212 /nfs/dbraw/zinc/42/82/12/1292428212.db2.gz FEUUSENWMOPIJL-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP [NH3+]CCCCCCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000828218094 1292443267 /nfs/dbraw/zinc/44/32/67/1292443267.db2.gz WALLMOHZMDLLPE-UHFFFAOYSA-N 2 0 345.531 3.063 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc(C[NH3+])c1)c1ccccc1 ZINC000828614758 1292483106 /nfs/dbraw/zinc/48/31/06/1292483106.db2.gz KWZMZHGAAOSFRX-HNNXBMFYSA-N 2 0 325.456 3.005 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000085312625 1292719692 /nfs/dbraw/zinc/71/96/92/1292719692.db2.gz NFOHPUGIICFTCO-HSZRJFAPSA-N 2 0 330.497 3.166 20 0 EGADRP CCC(=O)N1CCC([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000089136079 1292758049 /nfs/dbraw/zinc/75/80/49/1292758049.db2.gz AQRMKSCVFRPXIB-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP CO[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000831534020 1292880002 /nfs/dbraw/zinc/88/00/02/1292880002.db2.gz MLNYNUDUNQYYRL-FGYAAKKASA-N 2 0 340.552 3.260 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000105457163 1293036114 /nfs/dbraw/zinc/03/61/14/1293036114.db2.gz QCFLBYIMZYSJSU-OAHLLOKOSA-N 2 0 330.451 3.426 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000105442461 1293038036 /nfs/dbraw/zinc/03/80/36/1293038036.db2.gz XAVHSVILSKSDGW-SFHVURJKSA-N 2 0 325.500 3.203 20 0 EGADRP Cc1ncccc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462760 1293038749 /nfs/dbraw/zinc/03/87/49/1293038749.db2.gz XUTXQFSTHFUTJM-INIZCTEOSA-N 2 0 342.462 3.132 20 0 EGADRP CC(C)(O)[C@H]1CCC[N@@H+]1CCCCCC[NH+]1CCC[C@H]1C(C)(C)O ZINC000119199579 1293259727 /nfs/dbraw/zinc/25/97/27/1293259727.db2.gz ACCDAFQYIQXTCH-HDICACEKSA-N 2 0 340.552 3.017 20 0 EGADRP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000120379354 1293318550 /nfs/dbraw/zinc/31/85/50/1293318550.db2.gz LJEDVVHJJVNQNR-NVXWUHKLSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C[NH+]1CCCC1 ZINC000120943194 1293347805 /nfs/dbraw/zinc/34/78/05/1293347805.db2.gz APTSSFQFCDPGII-FXAWDEMLSA-N 2 0 332.488 3.066 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000126028706 1293522900 /nfs/dbraw/zinc/52/29/00/1293522900.db2.gz MEZRCLLFSJCZGN-UHFFFAOYSA-N 2 0 339.886 3.127 20 0 EGADRP Cc1cc(Cl)ccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000128860243 1293605945 /nfs/dbraw/zinc/60/59/45/1293605945.db2.gz HYXODBGQGMSINT-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000131355065 1293687597 /nfs/dbraw/zinc/68/75/97/1293687597.db2.gz UVDHWVLRKQLPDF-BZNIZROVSA-N 2 0 331.287 3.347 20 0 EGADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132386129 1293717735 /nfs/dbraw/zinc/71/77/35/1293717735.db2.gz GLZHFYDVBZMRAW-PZJWPPBQSA-N 2 0 331.548 3.178 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000134050545 1293761485 /nfs/dbraw/zinc/76/14/85/1293761485.db2.gz VUFMMKFZPLJKSW-UHFFFAOYSA-N 2 0 331.485 3.251 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000136576660 1293817698 /nfs/dbraw/zinc/81/76/98/1293817698.db2.gz FHLFRNHAARZRHD-RTWAWAEBSA-N 2 0 330.516 3.469 20 0 EGADRP Cc1ccc(-c2cccc(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)c2)cc1 ZINC000150774641 1293893222 /nfs/dbraw/zinc/89/32/22/1293893222.db2.gz ITVGAYAMJFKTFH-LJQANCHMSA-N 2 0 337.511 3.388 20 0 EGADRP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1F)C[NH+]1CCCCC1 ZINC000151596601 1293932439 /nfs/dbraw/zinc/93/24/39/1293932439.db2.gz XDMQFSJMXVSAEZ-OAHLLOKOSA-N 2 0 330.451 3.427 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)cc1C ZINC000152344644 1293964074 /nfs/dbraw/zinc/96/40/74/1293964074.db2.gz PPELFTPWFBRLQR-INIZCTEOSA-N 2 0 343.309 3.204 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)CCCO2 ZINC000152893059 1293989577 /nfs/dbraw/zinc/98/95/77/1293989577.db2.gz CSYHWPROOUZXOJ-HXUWFJFHSA-N 2 0 345.531 3.080 20 0 EGADRP CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155071693 1294083150 /nfs/dbraw/zinc/08/31/50/1294083150.db2.gz UTEBRXXHENVJHH-IBGZPJMESA-N 2 0 335.536 3.036 20 0 EGADRP CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000159070377 1294224181 /nfs/dbraw/zinc/22/41/81/1294224181.db2.gz XRVZWXPJNVSWGE-HXUWFJFHSA-N 2 0 348.531 3.294 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000173338572 1294459790 /nfs/dbraw/zinc/45/97/90/1294459790.db2.gz GCLIPJHYMIHBLV-DLBZAZTESA-N 2 0 339.524 3.145 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000187754368 1295414929 /nfs/dbraw/zinc/41/49/29/1295414929.db2.gz VYBKKQAQYCJBPV-RDJZCZTQSA-N 2 0 339.524 3.237 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CC[NH2+]CC2CC2)c2cccs2)CC1 ZINC000870853756 1296114159 /nfs/dbraw/zinc/11/41/59/1296114159.db2.gz BUSWOZGGVUUQIP-KRWDZBQOSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870865663 1296121122 /nfs/dbraw/zinc/12/11/22/1296121122.db2.gz BOZOZIDAWBUFBP-FFZOFVMBSA-N 2 0 343.515 3.195 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnn(C)c2)C1 ZINC000237469846 1296244799 /nfs/dbraw/zinc/24/47/99/1296244799.db2.gz LEAFTYSSUHIHBE-IAGOWNOFSA-N 2 0 326.488 3.188 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000246012350 1296334651 /nfs/dbraw/zinc/33/46/51/1296334651.db2.gz TZAZHLLULQESLP-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000247142672 1296383912 /nfs/dbraw/zinc/38/39/12/1296383912.db2.gz WJISPYOAVHSTSL-HLIPFELVSA-N 2 0 346.515 3.409 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000261614134 1296595226 /nfs/dbraw/zinc/59/52/26/1296595226.db2.gz FCFQEAQFPRHSLM-WMZOPIPTSA-N 2 0 329.488 3.214 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000261614132 1296595454 /nfs/dbraw/zinc/59/54/54/1296595454.db2.gz FCFQEAQFPRHSLM-SJLPKXTDSA-N 2 0 329.488 3.214 20 0 EGADRP CCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261942939 1296610721 /nfs/dbraw/zinc/61/07/21/1296610721.db2.gz MYNOPTWVMUTDNW-SFHVURJKSA-N 2 0 343.515 3.003 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(C(F)(F)F)co3)C2)C1 ZINC000872145656 1296767756 /nfs/dbraw/zinc/76/77/56/1296767756.db2.gz VWIOQYDXWWGASW-UXIGCNINSA-N 2 0 332.366 3.017 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1)C1CCCC1 ZINC000872156599 1296777254 /nfs/dbraw/zinc/77/72/54/1296777254.db2.gz ACOUJQNKHBYYDX-PKOBYXMFSA-N 2 0 335.536 3.009 20 0 EGADRP C[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000311229003 1297105379 /nfs/dbraw/zinc/10/53/79/1297105379.db2.gz YXRQHUDEEZLLPV-CIAFKFPVSA-N 2 0 341.543 3.409 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340471863 1297312712 /nfs/dbraw/zinc/31/27/12/1297312712.db2.gz YRGCXGWYXPJDRP-UEDWAMCQSA-N 2 0 347.551 3.356 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)[C@H](n2cncn2)C1 ZINC000340469823 1297313569 /nfs/dbraw/zinc/31/35/69/1297313569.db2.gz MJDBFTWWXJWSCK-NZSAHSFTSA-N 2 0 333.524 3.252 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2n2cncn2)c1 ZINC000340476875 1297314837 /nfs/dbraw/zinc/31/48/37/1297314837.db2.gz IPHTWASUMLPMAW-PWIZWCRZSA-N 2 0 341.503 3.249 20 0 EGADRP C[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccccc2)O1 ZINC000873204001 1297350248 /nfs/dbraw/zinc/35/02/48/1297350248.db2.gz VZCKMPDJXKATET-KDOFPFPSSA-N 2 0 328.481 3.356 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873232831 1297375561 /nfs/dbraw/zinc/37/55/61/1297375561.db2.gz NXRXVYRTTLXYLU-SFHVURJKSA-N 2 0 330.520 3.328 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000873246501 1297387968 /nfs/dbraw/zinc/38/79/68/1297387968.db2.gz VVTQGSUVDHPLGZ-CHWSQXEVSA-N 2 0 328.382 3.024 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260209 1297394679 /nfs/dbraw/zinc/39/46/79/1297394679.db2.gz VOCIMNQUFLFTNR-RQXATKFSSA-N 3 0 327.516 3.017 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2[nH]c(=O)oc2c1 ZINC000873265501 1297398681 /nfs/dbraw/zinc/39/86/81/1297398681.db2.gz VVGMHQJNWYVRIJ-OGIUKLMXSA-N 2 0 329.444 3.351 20 0 EGADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000873281898 1297407316 /nfs/dbraw/zinc/40/73/16/1297407316.db2.gz QNCFKQIRCQNXIT-CKEIUWERSA-N 2 0 349.316 3.458 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC(F)F)cc1 ZINC000873289356 1297410744 /nfs/dbraw/zinc/41/07/44/1297410744.db2.gz IAARVIOGNFKZNX-BBRMVZONSA-N 2 0 340.414 3.097 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290410 1297412568 /nfs/dbraw/zinc/41/25/68/1297412568.db2.gz DGNVNGDNJDSNSN-CLCXKQKWSA-N 2 0 332.463 3.197 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290413 1297412747 /nfs/dbraw/zinc/41/27/47/1297412747.db2.gz DGNVNGDNJDSNSN-ZRGWGRIASA-N 2 0 332.463 3.197 20 0 EGADRP COc1ccc([C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C(C)C)cc1 ZINC000873292302 1297414414 /nfs/dbraw/zinc/41/44/14/1297414414.db2.gz PTTYFSHZTHESJX-RBUKOAKNSA-N 2 0 332.488 3.141 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000378933360 1297528768 /nfs/dbraw/zinc/52/87/68/1297528768.db2.gz ZSHUQTLUIMPKTC-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000383086139 1297566867 /nfs/dbraw/zinc/56/68/67/1297566867.db2.gz KDFMWFANKBWYOY-LJQANCHMSA-N 2 0 339.524 3.098 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000385585370 1297584734 /nfs/dbraw/zinc/58/47/34/1297584734.db2.gz GURJMKVWHLDGHT-GRERDSQWSA-N 2 0 344.499 3.220 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386403607 1297590080 /nfs/dbraw/zinc/59/00/80/1297590080.db2.gz HMAAXGBXNUKBBG-OWCLPIDISA-N 2 0 327.513 3.094 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000390851066 1297635662 /nfs/dbraw/zinc/63/56/62/1297635662.db2.gz HWDHHBMMJBYFCO-MRXNPFEDSA-N 2 0 330.394 3.203 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000393961211 1297674318 /nfs/dbraw/zinc/67/43/18/1297674318.db2.gz PLYDZPPGBXEJCJ-UHFFFAOYSA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323604 1297729793 /nfs/dbraw/zinc/72/97/93/1297729793.db2.gz AQMAABTYBHMQFX-HOTGVXAUSA-N 2 0 341.540 3.340 20 0 EGADRP CCCN1CC[C@@H]([NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511971 1297731749 /nfs/dbraw/zinc/73/17/49/1297731749.db2.gz LTSHBNNPMBICRD-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404381520 1297751937 /nfs/dbraw/zinc/75/19/37/1297751937.db2.gz LHUMLKJTRFHAFP-GUDVDZBRSA-N 2 0 345.531 3.406 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405248647 1297764781 /nfs/dbraw/zinc/76/47/81/1297764781.db2.gz IQDUIYOFVVJYRX-FHWLQOOXSA-N 2 0 327.516 3.147 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C12CCC2 ZINC000453107594 1297890245 /nfs/dbraw/zinc/89/02/45/1297890245.db2.gz LLKGCDWIBOZSBC-XUVXKRRUSA-N 2 0 328.500 3.098 20 0 EGADRP C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)[C@H](C)[NH3+] ZINC000493992931 1297949056 /nfs/dbraw/zinc/94/90/56/1297949056.db2.gz REGPLNTZOIZQHM-MSOLQXFVSA-N 2 0 343.515 3.017 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000522851137 1297986702 /nfs/dbraw/zinc/98/67/02/1297986702.db2.gz LCPNGKZNNXHHEZ-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP [NH3+]CCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715050785 1298277654 /nfs/dbraw/zinc/27/76/54/1298277654.db2.gz LGBUEPAFXHGJEU-WOJBJXKFSA-N 2 0 343.515 3.019 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000717501621 1298302875 /nfs/dbraw/zinc/30/28/75/1298302875.db2.gz FTSIYBOWPZCWSB-PXNSSMCTSA-N 2 0 345.531 3.121 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000719928718 1298326050 /nfs/dbraw/zinc/32/60/50/1298326050.db2.gz XIWHYQPQMUVNQF-HOJAQTOUSA-N 2 0 345.531 3.119 20 0 EGADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857192222 1328524449 /nfs/dbraw/zinc/52/44/49/1328524449.db2.gz FCVAICOPVSNXOZ-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000876810771 1299006427 /nfs/dbraw/zinc/00/64/27/1299006427.db2.gz DLTPFSIZWGFSOA-IRFCIJBXSA-N 2 0 346.515 3.467 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000876988563 1299101838 /nfs/dbraw/zinc/10/18/38/1299101838.db2.gz GSKCEOBAPUNWCK-MRXNPFEDSA-N 2 0 339.524 3.003 20 0 EGADRP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000877054160 1299135135 /nfs/dbraw/zinc/13/51/35/1299135135.db2.gz FRQKSTWXGIXTPX-AZUAARDMSA-N 2 0 346.515 3.072 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877182133 1299197253 /nfs/dbraw/zinc/19/72/53/1299197253.db2.gz JJPHMXTYYRTMOY-UHFFFAOYSA-N 2 0 339.524 3.003 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000877451663 1299310889 /nfs/dbraw/zinc/31/08/89/1299310889.db2.gz LRRHOEATNSJHTJ-YLJYHZDGSA-N 2 0 349.563 3.253 20 0 EGADRP COC(=O)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754462305 1300148918 /nfs/dbraw/zinc/14/89/18/1300148918.db2.gz FAHGKDPYTIDTMX-QFBILLFUSA-N 2 0 344.499 3.145 20 0 EGADRP O[C@@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000878746851 1300171359 /nfs/dbraw/zinc/17/13/59/1300171359.db2.gz HIIIAGIZRNEJEV-SFHVURJKSA-N 2 0 349.837 3.120 20 0 EGADRP CC[NH+](CC)CCCN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064275 1300278202 /nfs/dbraw/zinc/27/82/02/1300278202.db2.gz KKUZOBWNFKNNED-IAGOWNOFSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247064 1300451726 /nfs/dbraw/zinc/45/17/26/1300451726.db2.gz MADZOKKZCJFDQD-SFHVURJKSA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cncn1Cc1ccccc1)CC2 ZINC000879250046 1300454364 /nfs/dbraw/zinc/45/43/64/1300454364.db2.gz KZKSPSQDYSWWSR-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000760704377 1301323026 /nfs/dbraw/zinc/32/30/26/1301323026.db2.gz WJKJKAQEDVGNNX-UHFFFAOYSA-N 2 0 346.515 3.115 20 0 EGADRP FC(F)(F)[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761056451 1301395006 /nfs/dbraw/zinc/39/50/06/1301395006.db2.gz XMSLSFZHBNBPRH-ZLLARURESA-N 2 0 330.316 3.311 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCC2OCCCO2)CC3)cc1 ZINC000762925202 1301786075 /nfs/dbraw/zinc/78/60/75/1301786075.db2.gz DLKZQSDQBCRIQT-UHFFFAOYSA-N 2 0 344.499 3.128 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000883387855 1302425498 /nfs/dbraw/zinc/42/54/98/1302425498.db2.gz GMXLNZKLJKZDNA-WBVHZDCISA-N 2 0 329.444 3.334 20 0 EGADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000767500396 1302694627 /nfs/dbraw/zinc/69/46/27/1302694627.db2.gz HVXOEFJFSGIHSH-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000884214030 1302773446 /nfs/dbraw/zinc/77/34/46/1302773446.db2.gz ROYQJWPHYGUQCX-LPHOPBHVSA-N 2 0 345.531 3.338 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1)CC1CC1 ZINC000770687351 1303306435 /nfs/dbraw/zinc/30/64/35/1303306435.db2.gz QKCBQOYJTCEQEO-HXUWFJFHSA-N 2 0 347.547 3.036 20 0 EGADRP CCC1([NH+]2CCC2)CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000886707882 1303572906 /nfs/dbraw/zinc/57/29/06/1303572906.db2.gz VOOWUHJIKPHHKG-FGTMMUONSA-N 2 0 335.536 3.115 20 0 EGADRP C[C@H](COCc1ccccc1)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000886839735 1303616866 /nfs/dbraw/zinc/61/68/66/1303616866.db2.gz LFSHWWXCQOVHPV-YYWHXJBOSA-N 2 0 346.515 3.058 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775375997 1303948918 /nfs/dbraw/zinc/94/89/18/1303948918.db2.gz QYQWGPPSPOWLGC-JJTUDDRGSA-N 2 0 328.591 3.324 20 0 EGADRP C[C@@H]1C[C@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777697663 1304336591 /nfs/dbraw/zinc/33/65/91/1304336591.db2.gz YNPFKBFULLVSOC-YLJYHZDGSA-N 2 0 344.547 3.359 20 0 EGADRP CC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1(C(=O)OC)CCC1 ZINC000779400178 1304566330 /nfs/dbraw/zinc/56/63/30/1304566330.db2.gz QHBNRZHMTZCINS-ABHNRTSZSA-N 2 0 336.520 3.495 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000779987407 1304628487 /nfs/dbraw/zinc/62/84/87/1304628487.db2.gz WQEOLJVKCDSVEK-UHFFFAOYSA-N 2 0 348.491 3.250 20 0 EGADRP C[C@H](NC(=O)CCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781203310 1304790194 /nfs/dbraw/zinc/79/01/94/1304790194.db2.gz DAIVEUDMTKIABK-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP FC(F)(F)CN1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000781518440 1304838457 /nfs/dbraw/zinc/83/84/57/1304838457.db2.gz KPYCIGZPQUOHKT-UHFFFAOYSA-N 2 0 347.469 3.400 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000782188796 1304928217 /nfs/dbraw/zinc/92/82/17/1304928217.db2.gz PYRCRIARHIPBED-JKSUJKDBSA-N 2 0 341.540 3.342 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000892506479 1305411911 /nfs/dbraw/zinc/41/19/11/1305411911.db2.gz DVCIDZXDHRBBGD-SFHVURJKSA-N 2 0 334.504 3.060 20 0 EGADRP C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000892565044 1305443013 /nfs/dbraw/zinc/44/30/13/1305443013.db2.gz DHETYYIMHGJSPO-HNNXBMFYSA-N 2 0 344.459 3.086 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCCc2cccc(Br)c2)CC1 ZINC000892947746 1305620249 /nfs/dbraw/zinc/62/02/49/1305620249.db2.gz OKQLFQJBSNQVDK-UHFFFAOYSA-N 2 0 325.294 3.313 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786834269 1305637549 /nfs/dbraw/zinc/63/75/49/1305637549.db2.gz REJOXNSAFZXBOG-OAHLLOKOSA-N 2 0 344.503 3.130 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000787302652 1305729117 /nfs/dbraw/zinc/72/91/17/1305729117.db2.gz JPAAHOHJCNTEIR-SESVDKBCSA-N 2 0 348.531 3.063 20 0 EGADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2NC1=O ZINC000893356145 1305846927 /nfs/dbraw/zinc/84/69/27/1305846927.db2.gz KAZKIXXWSZBTOH-WUSVYZNTSA-N 2 0 343.471 3.072 20 0 EGADRP CCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893412266 1305883352 /nfs/dbraw/zinc/88/33/52/1305883352.db2.gz LQZGQRUOSCWLNV-APWZRJJASA-N 2 0 326.488 3.212 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000788566060 1305972746 /nfs/dbraw/zinc/97/27/46/1305972746.db2.gz YJRUSPPLZQSOCA-INIZCTEOSA-N 2 0 325.456 3.350 20 0 EGADRP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894943719 1309131639 /nfs/dbraw/zinc/13/16/39/1309131639.db2.gz GQEXYVJBDVMQDT-DXJOGWAWSA-N 2 0 329.463 3.463 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C)c(Cl)c1 ZINC000895297179 1309274847 /nfs/dbraw/zinc/27/48/47/1309274847.db2.gz VBUDFLOLTOTRRR-KGLIPLIRSA-N 2 0 325.884 3.295 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]1C ZINC000793001434 1309278943 /nfs/dbraw/zinc/27/89/43/1309278943.db2.gz QMKNNVRFTBREJE-JLBOEEDFSA-N 2 0 336.520 3.351 20 0 EGADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000895821607 1309536082 /nfs/dbraw/zinc/53/60/82/1309536082.db2.gz FNYKKXOOHITFOJ-LJQANCHMSA-N 2 0 327.516 3.463 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1)CC1CC1 ZINC000897299565 1310278581 /nfs/dbraw/zinc/27/85/81/1310278581.db2.gz JYIWAYGMCOSRIA-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CCCc3ccc4c(c3)CCO4)C2)CC1 ZINC000798956880 1310463414 /nfs/dbraw/zinc/46/34/14/1310463414.db2.gz GMKXHGWXEMSYAT-UHFFFAOYSA-N 2 0 328.500 3.362 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CCCC3(CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000798957480 1310463711 /nfs/dbraw/zinc/46/37/11/1310463711.db2.gz XZVAICCOOQDPNF-MRXNPFEDSA-N 2 0 344.499 3.326 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CCCOCCc3ccccc3)C2)CC1 ZINC000799177048 1310500608 /nfs/dbraw/zinc/50/06/08/1310500608.db2.gz IZPWQDIDUJOZPQ-UHFFFAOYSA-N 2 0 330.516 3.444 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(CCO)cc2)CC1 ZINC000898171063 1310612267 /nfs/dbraw/zinc/61/22/67/1310612267.db2.gz PXGAOYVGFMYGHC-DYESRHJHSA-N 2 0 330.516 3.354 20 0 EGADRP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000898298327 1310666564 /nfs/dbraw/zinc/66/65/64/1310666564.db2.gz JDDSDZXPBFUYCB-UHFFFAOYSA-N 2 0 336.439 3.060 20 0 EGADRP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898386848 1310702172 /nfs/dbraw/zinc/70/21/72/1310702172.db2.gz JDRNAXWIXLROCM-DGEVVOEJSA-N 2 0 336.479 3.145 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000898391659 1310706678 /nfs/dbraw/zinc/70/66/78/1310706678.db2.gz JPKHBSOCTFJSKO-NMSZZDKCSA-N 2 0 328.500 3.277 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2nc3ccccc3s2)CC1 ZINC000800373699 1310746254 /nfs/dbraw/zinc/74/62/54/1310746254.db2.gz UBGCYWVDSGJMNI-MRXNPFEDSA-N 2 0 346.544 3.363 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000898704494 1310828293 /nfs/dbraw/zinc/82/82/93/1310828293.db2.gz VJEYOBVVHYBTGX-MOPGFXCFSA-N 2 0 331.504 3.446 20 0 EGADRP O=C(OCCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801869901 1316959259 /nfs/dbraw/zinc/95/92/59/1316959259.db2.gz KYOZGDWPPMWSAG-UHFFFAOYSA-N 2 0 330.472 3.315 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018938708 1316980814 /nfs/dbraw/zinc/98/08/14/1316980814.db2.gz ZCRBVMGDEVHRTG-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001018962599 1316988028 /nfs/dbraw/zinc/98/80/28/1316988028.db2.gz GUHFGAQYSFOMMO-ROUUACIJSA-N 2 0 343.515 3.039 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001018999142 1316998628 /nfs/dbraw/zinc/99/86/28/1316998628.db2.gz HSXAXSRPPDJOLQ-HBFSDRIKSA-N 2 0 345.531 3.141 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001019000705 1316999432 /nfs/dbraw/zinc/99/94/32/1316999432.db2.gz KQPUNWSUJXXMIK-PMACEKPBSA-N 2 0 345.531 3.087 20 0 EGADRP O=C(N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001019713260 1317362723 /nfs/dbraw/zinc/36/27/23/1317362723.db2.gz UVWGIQMKHWFJSZ-FPOVZHCZSA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000957445517 1317368022 /nfs/dbraw/zinc/36/80/22/1317368022.db2.gz NTLOZMGEHRMQAG-INIZCTEOSA-N 2 0 349.519 3.314 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901291120 1317401621 /nfs/dbraw/zinc/40/16/21/1317401621.db2.gz FJRUDIBKNHCKKO-PMACEKPBSA-N 2 0 341.499 3.280 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552137 1317447706 /nfs/dbraw/zinc/44/77/06/1317447706.db2.gz GFEUWQHTNJNWNR-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC000957559123 1317456362 /nfs/dbraw/zinc/45/63/62/1317456362.db2.gz BXLQLACSEXIJRS-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)CC1 ZINC000957573343 1317471192 /nfs/dbraw/zinc/47/11/92/1317471192.db2.gz TUOMVDWOITVQFF-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902349851 1317566286 /nfs/dbraw/zinc/56/62/86/1317566286.db2.gz RYGXGXQJDZFQEK-HXUWFJFHSA-N 2 0 329.532 3.327 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(O[C@H]2CCOC2)c1 ZINC000902344767 1317566547 /nfs/dbraw/zinc/56/65/47/1317566547.db2.gz FUTLAYJAYMEELI-MSOLQXFVSA-N 2 0 332.488 3.031 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000902376957 1317570506 /nfs/dbraw/zinc/57/05/06/1317570506.db2.gz OWVOLLFDUQCJCE-MRXNPFEDSA-N 2 0 347.894 3.097 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3C)C2)CC[N@@H+]1C ZINC001020174624 1317574683 /nfs/dbraw/zinc/57/46/83/1317574683.db2.gz JOYXPFPPVLFSSD-VDWQKOAOSA-N 2 0 343.515 3.023 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001020214528 1317596094 /nfs/dbraw/zinc/59/60/94/1317596094.db2.gz VYJMSYVKZPBKSI-JPLJXNOCSA-N 2 0 343.515 3.167 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000957760158 1317627685 /nfs/dbraw/zinc/62/76/85/1317627685.db2.gz QWMDNNSSABFGNW-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1)C(C)C ZINC000957762623 1317629216 /nfs/dbraw/zinc/62/92/16/1317629216.db2.gz FUIHCBJPZQPHOF-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903060472 1317644091 /nfs/dbraw/zinc/64/40/91/1317644091.db2.gz ZLGDOZJONCXBBA-VCSGRIEYSA-N 2 0 336.483 3.179 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[NH+](CCC2CCCCC2)CC1)[NH+]1CCCC1 ZINC000957782588 1317644934 /nfs/dbraw/zinc/64/49/34/1317644934.db2.gz JXFSJVMJKYBHGC-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000903071961 1317648071 /nfs/dbraw/zinc/64/80/71/1317648071.db2.gz HBEUJNMFRKKAED-ZEIDCXACSA-N 2 0 339.483 3.380 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903083612 1317649422 /nfs/dbraw/zinc/64/94/22/1317649422.db2.gz KDGLLULVXVETRV-HXUWFJFHSA-N 2 0 325.456 3.263 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020340441 1317652117 /nfs/dbraw/zinc/65/21/17/1317652117.db2.gz PRLXMNTZRXQFNN-PWKSQPCKSA-N 2 0 349.563 3.170 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903098881 1317652986 /nfs/dbraw/zinc/65/29/86/1317652986.db2.gz UYMUNJMDOGHJQB-ZXJUBJKJSA-N 2 0 339.527 3.398 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3c(s1)CCC3)C2 ZINC000903115708 1317655593 /nfs/dbraw/zinc/65/55/93/1317655593.db2.gz NZOBCDSHIKQAHM-AVQZXHFCSA-N 2 0 348.556 3.367 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)c1ccc(OC)cc1 ZINC000903117345 1317656403 /nfs/dbraw/zinc/65/64/03/1317656403.db2.gz LKWYXGHRBSOWEB-ZPAWYTMASA-N 2 0 346.515 3.216 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903120250 1317657218 /nfs/dbraw/zinc/65/72/18/1317657218.db2.gz VSZKOEXTAILHJX-QSUVIHHLSA-N 2 0 328.500 3.052 20 0 EGADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903118900 1317657338 /nfs/dbraw/zinc/65/73/38/1317657338.db2.gz YEFAGNPNMBERMD-ZNLXNUBKSA-N 2 0 334.479 3.264 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000903176787 1317668369 /nfs/dbraw/zinc/66/83/69/1317668369.db2.gz UMOWECMLRCDNBY-FYRZTWFESA-N 2 0 334.426 3.483 20 0 EGADRP COc1cccc(-c2cc(C[NH2+][C@H](C)C3CC[NH+](C)CC3)on2)c1 ZINC000903295018 1317684100 /nfs/dbraw/zinc/68/41/00/1317684100.db2.gz NBFDALRVKICONM-CQSZACIVSA-N 2 0 329.444 3.170 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000903396188 1317695660 /nfs/dbraw/zinc/69/56/60/1317695660.db2.gz KJTVVJGJPMLSDN-GCJKJVERSA-N 2 0 338.495 3.222 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000808719732 1317721648 /nfs/dbraw/zinc/72/16/48/1317721648.db2.gz IDQGYUYPPNPAPV-INIZCTEOSA-N 2 0 345.462 3.272 20 0 EGADRP c1ccc(CC[C@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723568 1317724607 /nfs/dbraw/zinc/72/46/07/1317724607.db2.gz IOXPFQMVYJGECJ-UXHICEINSA-N 2 0 328.500 3.242 20 0 EGADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730391 1317727369 /nfs/dbraw/zinc/72/73/69/1317727369.db2.gz WBVLBAJUAIOTBT-VQTJNVASSA-N 2 0 328.500 3.161 20 0 EGADRP COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729400 1317727478 /nfs/dbraw/zinc/72/74/78/1317727478.db2.gz MEGMHWFJGTWZED-IEBWSBKVSA-N 2 0 344.499 3.381 20 0 EGADRP CC(C)c1csc([C@@H]2CCC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739682 1317728376 /nfs/dbraw/zinc/72/83/76/1317728376.db2.gz NXXUTDDKRAIXRF-GPMSIDNRSA-N 2 0 349.544 3.215 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(F)cccc1Cl ZINC000903758505 1317730745 /nfs/dbraw/zinc/73/07/45/1317730745.db2.gz LIAMLEKPLXEMGP-CHWSQXEVSA-N 2 0 326.843 3.288 20 0 EGADRP COc1c(C)cnc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1C ZINC000903792748 1317735155 /nfs/dbraw/zinc/73/51/55/1317735155.db2.gz IOTAZZCUWHIYNS-UHFFFAOYSA-N 2 0 339.483 3.200 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000903792987 1317735447 /nfs/dbraw/zinc/73/54/47/1317735447.db2.gz KORSUOJRGCSHQL-HZPDHXFCSA-N 2 0 342.405 3.089 20 0 EGADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899096 1317745385 /nfs/dbraw/zinc/74/53/85/1317745385.db2.gz RKWHVORILIZNBZ-PZJWPPBQSA-N 2 0 342.531 3.107 20 0 EGADRP Cc1ccnc(OC2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000903902831 1317746112 /nfs/dbraw/zinc/74/61/12/1317746112.db2.gz NYCFXNNDHGDNNO-UHFFFAOYSA-N 2 0 337.467 3.079 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2ccccc2c1 ZINC000903919148 1317748941 /nfs/dbraw/zinc/74/89/41/1317748941.db2.gz AMJQEYGQBLMEHB-JOCHJYFZSA-N 2 0 332.447 3.309 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000903938508 1317751287 /nfs/dbraw/zinc/75/12/87/1317751287.db2.gz FFHXERXQONBHKL-UHFFFAOYSA-N 2 0 326.488 3.442 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973810 1317759824 /nfs/dbraw/zinc/75/98/24/1317759824.db2.gz IJQACNMCMPMSBB-UKRRQHHQSA-N 2 0 332.879 3.169 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000903986978 1317761851 /nfs/dbraw/zinc/76/18/51/1317761851.db2.gz VZBBRFUEKYAWHH-UHFFFAOYSA-N 3 0 333.545 3.281 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@H+](C)C3)CC2)cc1 ZINC000858245271 1328720850 /nfs/dbraw/zinc/72/08/50/1328720850.db2.gz FYDGSIMLQZBFDD-SFHVURJKSA-N 3 0 344.547 3.043 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001020591485 1317791846 /nfs/dbraw/zinc/79/18/46/1317791846.db2.gz OVGUIRJORUBQCE-VJANTYMQSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC001020587463 1317792497 /nfs/dbraw/zinc/79/24/97/1317792497.db2.gz HBPJCOGPPBVPPL-RDGPPVDQSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)CC[NH2+]1 ZINC000904388987 1317840982 /nfs/dbraw/zinc/84/09/82/1317840982.db2.gz FXJGYCBUUPMEHF-ZBFHGGJFSA-N 2 0 333.545 3.274 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420452 1317844411 /nfs/dbraw/zinc/84/44/11/1317844411.db2.gz OWENBSVSOPEFLA-JKSUJKDBSA-N 2 0 344.890 3.184 20 0 EGADRP CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000958792036 1317848437 /nfs/dbraw/zinc/84/84/37/1317848437.db2.gz YIBAUQZWJQBKTC-HXUWFJFHSA-N 2 0 348.450 3.072 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001020676125 1317852918 /nfs/dbraw/zinc/85/29/18/1317852918.db2.gz SLOVGDMWDWWINM-WDSOQIARSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccccc1C[NH3+])[NH+](C)C ZINC000904639809 1317874460 /nfs/dbraw/zinc/87/44/60/1317874460.db2.gz WLRDFBQMMMPNCH-HNAYVOBHSA-N 2 0 340.471 3.267 20 0 EGADRP C[C@H](CCNC(=O)Nc1ccccc1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000904653424 1317876517 /nfs/dbraw/zinc/87/65/17/1317876517.db2.gz ZJKMFPYZWLYPNE-MRXNPFEDSA-N 2 0 340.471 3.177 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000809757851 1317893704 /nfs/dbraw/zinc/89/37/04/1317893704.db2.gz ZFUYWRAZINYJBA-QGZVFWFLSA-N 2 0 341.540 3.297 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cncn2C)ccc1OC ZINC000810242431 1317985171 /nfs/dbraw/zinc/98/51/71/1317985171.db2.gz BPFSEDZJZOIMJP-HNNXBMFYSA-N 2 0 330.476 3.121 20 0 EGADRP CN(C)Cc1cnc(CNCc2ccc(-c3cnco3)cc2)s1 ZINC000906520980 1318111674 /nfs/dbraw/zinc/11/16/74/1318111674.db2.gz XFGQGFIIZKJUTP-UHFFFAOYSA-N 2 0 328.441 3.150 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC000959925391 1318268634 /nfs/dbraw/zinc/26/86/34/1318268634.db2.gz NJQKFQDVBGIADS-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021470004 1318269829 /nfs/dbraw/zinc/26/98/29/1318269829.db2.gz QWDDTDNQUJJZOH-XVLXNVKGSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000960014756 1318312177 /nfs/dbraw/zinc/31/21/77/1318312177.db2.gz YWSXACXQZMZOHK-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC000960169453 1318394128 /nfs/dbraw/zinc/39/41/28/1318394128.db2.gz GRRYOWPIWHTACI-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605791 1318453576 /nfs/dbraw/zinc/45/35/76/1318453576.db2.gz NMNHOHAMBXURKX-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](CC)C[C@H]2C)cc1 ZINC000910285563 1318597458 /nfs/dbraw/zinc/59/74/58/1318597458.db2.gz RTKNKJQYDOBMSP-GOSISDBHSA-N 2 0 345.531 3.475 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021742119 1318654583 /nfs/dbraw/zinc/65/45/83/1318654583.db2.gz JWTVBIGZAVHPCM-UXHICEINSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001021906734 1318727781 /nfs/dbraw/zinc/72/77/81/1318727781.db2.gz XARNKPGMIKZGGV-XCLNPWKQSA-N 2 0 343.515 3.202 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960630019 1318755452 /nfs/dbraw/zinc/75/54/52/1318755452.db2.gz VCPKRZVJTDUSMK-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960666476 1318782982 /nfs/dbraw/zinc/78/29/82/1318782982.db2.gz RJESQBFNTQJNJZ-QZTJIDSGSA-N 2 0 349.544 3.045 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001022279420 1318872856 /nfs/dbraw/zinc/87/28/56/1318872856.db2.gz XYVYBNYESACPTB-IYWMVGAKSA-N 2 0 347.547 3.211 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001022589457 1319005068 /nfs/dbraw/zinc/00/50/68/1319005068.db2.gz XBQLSIODICSMGE-WSTZPKSXSA-N 2 0 347.547 3.211 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960868363 1319013406 /nfs/dbraw/zinc/01/34/06/1319013406.db2.gz IRLIALHOSGOPRW-UXHICEINSA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001022921837 1319170978 /nfs/dbraw/zinc/17/09/78/1319170978.db2.gz QBJACKDTNPAFFD-BGYRXZFFSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022958661 1319188763 /nfs/dbraw/zinc/18/87/63/1319188763.db2.gz RRMOOANFYWXVBQ-HSALFYBXSA-N 2 0 349.563 3.458 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC[NH2+]C(C)(C)C)c1ccsc1 ZINC000930217813 1328814417 /nfs/dbraw/zinc/81/44/17/1328814417.db2.gz FWUASDMFKFHNKO-OAHLLOKOSA-N 2 0 325.522 3.025 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961256095 1319403223 /nfs/dbraw/zinc/40/32/23/1319403223.db2.gz HJHDNBSWKWTUDR-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961256096 1319403668 /nfs/dbraw/zinc/40/36/68/1319403668.db2.gz HJHDNBSWKWTUDR-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000817880459 1319450925 /nfs/dbraw/zinc/45/09/25/1319450925.db2.gz VJAOSYVLTQJDNW-RKVPGOIHSA-N 2 0 325.456 3.084 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000817894574 1319453202 /nfs/dbraw/zinc/45/32/02/1319453202.db2.gz MTIGXGCOICVRPX-XOBRGWDASA-N 2 0 343.471 3.020 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817896233 1319454474 /nfs/dbraw/zinc/45/44/74/1319454474.db2.gz ZZPRWMRWPYEJSE-YVWKXTFCSA-N 2 0 334.504 3.408 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817918419 1319460380 /nfs/dbraw/zinc/46/03/80/1319460380.db2.gz ZBUKLVOEBMOEEI-QGHHPUGFSA-N 2 0 337.826 3.025 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000817922967 1319462290 /nfs/dbraw/zinc/46/22/90/1319462290.db2.gz CBCZIBXRTSSDTB-QKLQHJQFSA-N 2 0 340.467 3.229 20 0 EGADRP COc1ccc([C@@H](C)NC[C@H]2CCCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817949344 1319473045 /nfs/dbraw/zinc/47/30/45/1319473045.db2.gz JCPSDZPQHKZGHI-YLJYHZDGSA-N 2 0 345.531 3.474 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000817948588 1319473580 /nfs/dbraw/zinc/47/35/80/1319473580.db2.gz BWCIEUKAPQUFLZ-APWZRJJASA-N 2 0 333.520 3.330 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023364357 1319475893 /nfs/dbraw/zinc/47/58/93/1319475893.db2.gz JKGXHOCKFSFBSV-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP COc1ccc([C@@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817976787 1319484446 /nfs/dbraw/zinc/48/44/46/1319484446.db2.gz UAEYKSOEHMPMOC-MNEFBYGVSA-N 2 0 349.494 3.032 20 0 EGADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)ncc1F ZINC000817981505 1319485803 /nfs/dbraw/zinc/48/58/03/1319485803.db2.gz SHMGQVBSFJTNEC-WDEREUQCSA-N 2 0 330.245 3.166 20 0 EGADRP O=C(NC[C@@H]1CCC[N@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001023414499 1319518954 /nfs/dbraw/zinc/51/89/54/1319518954.db2.gz UWPSSTVQBTXULO-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961363888 1319520286 /nfs/dbraw/zinc/52/02/86/1319520286.db2.gz CDJIEYGXHOHBJS-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961377010 1319532617 /nfs/dbraw/zinc/53/26/17/1319532617.db2.gz VMVRHUZAKZYBTB-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961377012 1319533088 /nfs/dbraw/zinc/53/30/88/1319533088.db2.gz VMVRHUZAKZYBTB-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961376342 1319533659 /nfs/dbraw/zinc/53/36/59/1319533659.db2.gz RYSKHOIABJOEDT-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@H]3CCC[NH+](CC)C3)CC2)C1 ZINC000961397232 1319551515 /nfs/dbraw/zinc/55/15/15/1319551515.db2.gz SKPXSUMTTIECNK-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961411844 1319569237 /nfs/dbraw/zinc/56/92/37/1319569237.db2.gz PEPDAZMRNHYSTC-ICSRJNTNSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000961418567 1319575649 /nfs/dbraw/zinc/57/56/49/1319575649.db2.gz CFEJXEKULMJIIZ-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000818942755 1319583217 /nfs/dbraw/zinc/58/32/17/1319583217.db2.gz JWAZUBXUVQWSNV-FQEVSTJZSA-N 2 0 330.447 3.491 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431759 1319584881 /nfs/dbraw/zinc/58/48/81/1319584881.db2.gz MPZYABONSXHPIA-UYAOXDASSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000818960461 1319592143 /nfs/dbraw/zinc/59/21/43/1319592143.db2.gz ZGPYGFSNPYFDQZ-RDTXWAMCSA-N 2 0 326.431 3.242 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000818971658 1319598782 /nfs/dbraw/zinc/59/87/82/1319598782.db2.gz AKLWWOZFLHUHIJ-MEDUHNTESA-N 2 0 329.271 3.101 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818979893 1319601769 /nfs/dbraw/zinc/60/17/69/1319601769.db2.gz CWKFNAWCDKELBB-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000819102279 1319634580 /nfs/dbraw/zinc/63/45/80/1319634580.db2.gz ILNRPYUBNUWFGX-SWLSCSKDSA-N 2 0 343.309 3.048 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819151780 1319648698 /nfs/dbraw/zinc/64/86/98/1319648698.db2.gz DZUZEAQSQKBKHH-WMLDXEAASA-N 2 0 344.421 3.306 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819152102 1319649660 /nfs/dbraw/zinc/64/96/60/1319649660.db2.gz LLKJOXLGBJWKHK-WMLDXEAASA-N 2 0 344.421 3.306 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCC3)C2)C1 ZINC001023548128 1319658094 /nfs/dbraw/zinc/65/80/94/1319658094.db2.gz BNMCBZNXSLBWLU-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819182904 1319660628 /nfs/dbraw/zinc/66/06/28/1319660628.db2.gz RWQVOYYREUGJKO-KDOFPFPSSA-N 2 0 342.886 3.470 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001023554978 1319665682 /nfs/dbraw/zinc/66/56/82/1319665682.db2.gz SECJGYFCPDDRTI-IHPCNDPISA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC000962040591 1319805232 /nfs/dbraw/zinc/80/52/32/1319805232.db2.gz SZUGLKIRMUOIBT-MDCZIUGASA-N 2 0 348.450 3.194 20 0 EGADRP CC(C)(C)[NH2+]CCC(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000820552633 1319909040 /nfs/dbraw/zinc/90/90/40/1319909040.db2.gz QHHQCEWURMISSX-UHFFFAOYSA-N 2 0 344.459 3.140 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962385833 1319945118 /nfs/dbraw/zinc/94/51/18/1319945118.db2.gz UWXODYGXILMWGR-SOAGJPPSSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962385832 1319945440 /nfs/dbraw/zinc/94/54/40/1319945440.db2.gz UWXODYGXILMWGR-MHJFOBGBSA-N 2 0 347.547 3.234 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(C[NH+](C)C)c1 ZINC000820808007 1319956993 /nfs/dbraw/zinc/95/69/93/1319956993.db2.gz VSENJIQEWBXYDH-HOCLYGCPSA-N 2 0 343.437 3.283 20 0 EGADRP C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000820828822 1319963120 /nfs/dbraw/zinc/96/31/20/1319963120.db2.gz BYCIDACBUCQOMW-LPHOPBHVSA-N 2 0 332.488 3.475 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822870660 1320131013 /nfs/dbraw/zinc/13/10/13/1320131013.db2.gz VJPQBTIROUDARS-KKUMJFAQSA-N 2 0 337.335 3.297 20 0 EGADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000839073897 1320862133 /nfs/dbraw/zinc/86/21/33/1320862133.db2.gz BVRBWTJIUAYHPT-SFHVURJKSA-N 2 0 327.859 3.461 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000840001288 1321011345 /nfs/dbraw/zinc/01/13/45/1321011345.db2.gz ZBHICSLHAUMIGB-VQTJNVASSA-N 2 0 347.547 3.035 20 0 EGADRP CCCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000840892087 1321172017 /nfs/dbraw/zinc/17/20/17/1321172017.db2.gz UZFUFOLTOWESQV-QGZVFWFLSA-N 2 0 345.531 3.442 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841037352 1321205828 /nfs/dbraw/zinc/20/58/28/1321205828.db2.gz ZUZMKJCXZCRVCS-UHFFFAOYSA-N 2 0 349.272 3.249 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841037464 1321206164 /nfs/dbraw/zinc/20/61/64/1321206164.db2.gz TVDZSRLUQJMKSQ-INIZCTEOSA-N 2 0 346.906 3.291 20 0 EGADRP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213362 1328947016 /nfs/dbraw/zinc/94/70/16/1328947016.db2.gz HGWPZVPMSCREOJ-KRWDZBQOSA-N 2 0 345.531 3.360 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000859213429 1328948026 /nfs/dbraw/zinc/94/80/26/1328948026.db2.gz XBODFOPERHYTQZ-HXUWFJFHSA-N 2 0 346.902 3.437 20 0 EGADRP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214999 1328948297 /nfs/dbraw/zinc/94/82/97/1328948297.db2.gz WTOSURCVKMTUKI-FGTMMUONSA-N 2 0 345.531 3.073 20 0 EGADRP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000842472409 1321392167 /nfs/dbraw/zinc/39/21/67/1321392167.db2.gz YALRFQPGRFIYTE-BEFAXECRSA-N 2 0 336.907 3.475 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1C ZINC000842474129 1321392914 /nfs/dbraw/zinc/39/29/14/1321392914.db2.gz GBRJDTHWXKZNRL-LPHOPBHVSA-N 2 0 340.467 3.374 20 0 EGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1Cl ZINC000843126600 1321474010 /nfs/dbraw/zinc/47/40/10/1321474010.db2.gz LJMYMLBMOMDLOF-INIZCTEOSA-N 2 0 338.927 3.467 20 0 EGADRP [NH3+]CCCCCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000843127292 1321474475 /nfs/dbraw/zinc/47/44/75/1321474475.db2.gz NNVYAZIRHZGKFT-UHFFFAOYSA-N 2 0 337.895 3.053 20 0 EGADRP [NH3+]CCCCCC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000843126140 1321474529 /nfs/dbraw/zinc/47/45/29/1321474529.db2.gz AXSKKOOMJOWVON-UHFFFAOYSA-N 2 0 333.457 3.148 20 0 EGADRP C[C@H]1OCC[C@@]1(C)[NH2+]CC[Si](C)(C)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000859278949 1328959859 /nfs/dbraw/zinc/95/98/59/1328959859.db2.gz IAWWFWGWPJGFKP-USTZCAOPSA-N 2 0 342.600 3.009 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(C[C@@H]([NH3+])C4CC4)n3)cc2)CC1 ZINC000843201392 1321486703 /nfs/dbraw/zinc/48/67/03/1321486703.db2.gz SMCMYDXUWFSRPT-GOSISDBHSA-N 2 0 340.471 3.248 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccccc1C(F)(F)F ZINC000843360740 1321506432 /nfs/dbraw/zinc/50/64/32/1321506432.db2.gz HBKDPIVPZABCTD-AGUYFDCRSA-N 2 0 328.378 3.428 20 0 EGADRP COc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364961 1321507198 /nfs/dbraw/zinc/50/71/98/1321507198.db2.gz XSSBDGVRJINRIN-JQWIXIFHSA-N 2 0 334.407 3.476 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000843377591 1321508659 /nfs/dbraw/zinc/50/86/59/1321508659.db2.gz DWDTZNOIPVOJDU-GFCCVEGCSA-N 2 0 343.443 3.001 20 0 EGADRP COc1cccc([C@@H](C)N2CC[NH+](CCCCCCC[NH3+])CC2)c1 ZINC000844222186 1321579988 /nfs/dbraw/zinc/57/99/88/1321579988.db2.gz ZKBYUZUDSXMVSQ-GOSISDBHSA-N 2 0 333.520 3.283 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000844322018 1321589273 /nfs/dbraw/zinc/58/92/73/1321589273.db2.gz XQRLQHIGWAICSS-KRWDZBQOSA-N 2 0 341.540 3.488 20 0 EGADRP COc1cccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)oc21 ZINC000844903109 1321656462 /nfs/dbraw/zinc/65/64/62/1321656462.db2.gz SIQCMJGZIGOVEQ-BXWFABGCSA-N 2 0 344.455 3.160 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cncc3ccccc32)C1 ZINC000844910816 1321657019 /nfs/dbraw/zinc/65/70/19/1321657019.db2.gz JTGINSDLDABVRF-MISYRCLQSA-N 2 0 325.456 3.096 20 0 EGADRP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000846218168 1321777175 /nfs/dbraw/zinc/77/71/75/1321777175.db2.gz STHGGCBWXYZHEJ-UHFFFAOYSA-N 2 0 332.275 3.383 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000846220550 1321777695 /nfs/dbraw/zinc/77/76/95/1321777695.db2.gz KPFVHJJMTIIYNY-INIZCTEOSA-N 2 0 328.403 3.180 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000848888760 1322030652 /nfs/dbraw/zinc/03/06/52/1322030652.db2.gz BJPCEGQEWGFNBU-NQIIRXRSSA-N 2 0 329.532 3.268 20 0 EGADRP C[C@H]1C[C@H](CCNC(=[NH2+])N2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989285 1322056837 /nfs/dbraw/zinc/05/68/37/1322056837.db2.gz LIIWUAWQXOMWTQ-HKUYNNGSSA-N 2 0 328.504 3.297 20 0 EGADRP CCC(CC)[C@H](CNC(=[NH2+])NCc1ccccc1OC)[NH+]1CCCC1 ZINC000849057167 1322060796 /nfs/dbraw/zinc/06/07/96/1322060796.db2.gz BPLMSEUIJZSEHC-SFHVURJKSA-N 2 0 346.519 3.210 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083962 1322071659 /nfs/dbraw/zinc/07/16/59/1322071659.db2.gz REWHGLWPBSYBOH-CYBMUJFWSA-N 2 0 344.381 3.396 20 0 EGADRP [NH2+]=C(NCC1CCC1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000849085241 1322072289 /nfs/dbraw/zinc/07/22/89/1322072289.db2.gz IWRQCEPJAZULJX-LJQANCHMSA-N 2 0 328.504 3.203 20 0 EGADRP C[NH+](C)C1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCCC1 ZINC000849089996 1322073860 /nfs/dbraw/zinc/07/38/60/1322073860.db2.gz MFGALESBPATEPJ-UHFFFAOYSA-N 2 0 342.409 3.194 20 0 EGADRP CCC[N@H+](CC)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849091496 1322075415 /nfs/dbraw/zinc/07/54/15/1322075415.db2.gz JVAHOYJNPUACQA-UHFFFAOYSA-N 2 0 330.398 3.051 20 0 EGADRP CC(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000930904846 1329003033 /nfs/dbraw/zinc/00/30/33/1329003033.db2.gz JSVULXDBDQARDL-UHFFFAOYSA-N 2 0 347.503 3.116 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)c(C)c1 ZINC000921496519 1322329599 /nfs/dbraw/zinc/32/95/99/1322329599.db2.gz VWAJYUCSRIUCDR-UHFFFAOYSA-N 2 0 340.467 3.126 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921624610 1322365389 /nfs/dbraw/zinc/36/53/89/1322365389.db2.gz KTAYMYAAMIQOMZ-GVDBMIGSSA-N 2 0 339.524 3.001 20 0 EGADRP CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000921819429 1322405044 /nfs/dbraw/zinc/40/50/44/1322405044.db2.gz ZEFIZHXZKSABPO-ICSRJNTNSA-N 2 0 348.556 3.407 20 0 EGADRP CN(C)C(=O)c1ccccc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922505050 1322544620 /nfs/dbraw/zinc/54/46/20/1322544620.db2.gz PXOBKWDJWQZZHN-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP CCCC[N@H+](C[C@H]1CC2(CC2)C(=O)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032916 1329033500 /nfs/dbraw/zinc/03/35/00/1329033500.db2.gz BXNCMBNFLBBHAA-MRXNPFEDSA-N 2 0 336.520 3.493 20 0 EGADRP Clc1ccc(OC2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000923422541 1322748212 /nfs/dbraw/zinc/74/82/12/1322748212.db2.gz WDPFYMFIJGXNGD-ZXFUBFMLSA-N 2 0 349.906 3.499 20 0 EGADRP COCCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924582479 1323061701 /nfs/dbraw/zinc/06/17/01/1323061701.db2.gz LMVGJAGDIPEYNN-SEJPIABJSA-N 2 0 346.515 3.215 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924614831 1323076724 /nfs/dbraw/zinc/07/67/24/1323076724.db2.gz KDCQQTPUPYMDIR-KRWDZBQOSA-N 2 0 349.482 3.239 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cccc(C[NH+](C)C)c1 ZINC000924638182 1323087533 /nfs/dbraw/zinc/08/75/33/1323087533.db2.gz ZOUIZEFEPLBBGG-QGZVFWFLSA-N 2 0 349.482 3.239 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924670393 1323103942 /nfs/dbraw/zinc/10/39/42/1323103942.db2.gz ZPGMBWVTSFNIAL-IRXDYDNUSA-N 2 0 342.487 3.018 20 0 EGADRP C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670389 1323104604 /nfs/dbraw/zinc/10/46/04/1323104604.db2.gz ZPGAMIWHCUACQO-HZPDHXFCSA-N 2 0 343.471 3.250 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851933683 1323117412 /nfs/dbraw/zinc/11/74/12/1323117412.db2.gz TWFDVBLIQRPWMI-BWPNAZKDSA-N 2 0 346.515 3.274 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)cc1 ZINC000924704342 1323123185 /nfs/dbraw/zinc/12/31/85/1323123185.db2.gz MYUZHQQTJHEISL-UYAOXDASSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924716303 1323129658 /nfs/dbraw/zinc/12/96/58/1323129658.db2.gz DWFLUFRFJMDFJB-QGZVFWFLSA-N 2 0 339.483 3.057 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000924757930 1323148143 /nfs/dbraw/zinc/14/81/43/1323148143.db2.gz UVKAODHLBHANNN-SFHVURJKSA-N 2 0 336.495 3.077 20 0 EGADRP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924779503 1323159522 /nfs/dbraw/zinc/15/95/22/1323159522.db2.gz QMBDFPLPLBGHSU-PXNSSMCTSA-N 2 0 342.483 3.147 20 0 EGADRP C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000924970025 1323234059 /nfs/dbraw/zinc/23/40/59/1323234059.db2.gz MSLJFWFKJSLRNX-GOSISDBHSA-N 2 0 345.531 3.044 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001024278147 1323256807 /nfs/dbraw/zinc/25/68/07/1323256807.db2.gz DPCSMBSDQRDZKB-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000925086688 1323275289 /nfs/dbraw/zinc/27/52/89/1323275289.db2.gz QBAKUFZEQLPWCA-UYSNPLJNSA-N 2 0 341.540 3.246 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001024436503 1323396357 /nfs/dbraw/zinc/39/63/57/1323396357.db2.gz FFIWNOVQFXZHHW-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479173 1323431062 /nfs/dbraw/zinc/43/10/62/1323431062.db2.gz AZPFFEWGBXONRW-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001024991439 1323816100 /nfs/dbraw/zinc/81/61/00/1323816100.db2.gz CJXBOYKFKBBQAA-MOPGFXCFSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]2C1 ZINC000931439552 1329118323 /nfs/dbraw/zinc/11/83/23/1329118323.db2.gz OKFMABABPIUPKT-MOPGFXCFSA-N 2 0 337.467 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025168397 1323937732 /nfs/dbraw/zinc/93/77/32/1323937732.db2.gz BXKLHYANEPDHCR-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1ccccc1F ZINC000859995314 1329124728 /nfs/dbraw/zinc/12/47/28/1329124728.db2.gz OOQOCGYXCPFQIP-HXUWFJFHSA-N 2 0 330.447 3.443 20 0 EGADRP C[NH+](C)CC1(O)CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000931485661 1329128600 /nfs/dbraw/zinc/12/86/00/1329128600.db2.gz PGCGBKUJOSWPIZ-UHFFFAOYSA-N 2 0 344.421 3.027 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001025301693 1324135194 /nfs/dbraw/zinc/13/51/94/1324135194.db2.gz OKPRKJXYQDHUJX-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001026465148 1324824748 /nfs/dbraw/zinc/82/47/48/1324824748.db2.gz KVTMBHISRMYLHL-ACBHZAAOSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001026528703 1324869912 /nfs/dbraw/zinc/86/99/12/1324869912.db2.gz SWKQWYHEDRZGDG-UHFFFAOYSA-N 2 0 340.471 3.155 20 0 EGADRP C[NH+]1CCC(C(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)CC1 ZINC001026553227 1324889540 /nfs/dbraw/zinc/88/95/40/1324889540.db2.gz SFKHUYKGGGJVCS-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CCC([NH2+]CC3CC3)CC2)o1 ZINC001026611927 1324932772 /nfs/dbraw/zinc/93/27/72/1324932772.db2.gz OXERBPRDUGWPOA-UHFFFAOYSA-N 2 0 347.503 3.162 20 0 EGADRP CCS[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925225553 1325087995 /nfs/dbraw/zinc/08/79/95/1325087995.db2.gz HCCHBEATQFYGSN-PYWTVGQWSA-N 2 0 326.550 3.282 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925239067 1325091550 /nfs/dbraw/zinc/09/15/50/1325091550.db2.gz CKACVGIXBYBAHR-CTNGQTDRSA-N 2 0 341.499 3.426 20 0 EGADRP CCON1CCC([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000925281818 1325113049 /nfs/dbraw/zinc/11/30/49/1325113049.db2.gz ZYIHHMIWHXTHHI-ROUUACIJSA-N 2 0 345.531 3.149 20 0 EGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1(Br)CC1 ZINC000925300666 1325117454 /nfs/dbraw/zinc/11/74/54/1325117454.db2.gz NYNSFHGWHAYHQZ-ZDUSSCGKSA-N 2 0 338.293 3.204 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963351378 1325143998 /nfs/dbraw/zinc/14/39/98/1325143998.db2.gz HKOUVDKVAXYVDS-WMZOPIPTSA-N 2 0 347.503 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027015066 1325155019 /nfs/dbraw/zinc/15/50/19/1325155019.db2.gz XOUXRVQEHXJZOY-WOJBJXKFSA-N 2 0 347.547 3.047 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360372 1325156237 /nfs/dbraw/zinc/15/62/37/1325156237.db2.gz MIRRBOXKKHAVEQ-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(F)c1 ZINC000925492258 1325175234 /nfs/dbraw/zinc/17/52/34/1325175234.db2.gz GKJOYUCOMYMSOS-VQTJNVASSA-N 2 0 329.463 3.498 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1 ZINC000925506141 1325182158 /nfs/dbraw/zinc/18/21/58/1325182158.db2.gz WDBKNSBXQVUZNL-YLJYHZDGSA-N 2 0 330.447 3.047 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963385291 1325184974 /nfs/dbraw/zinc/18/49/74/1325184974.db2.gz FRVTUZBAMQDVQQ-MHJFOBGBSA-N 2 0 349.563 3.410 20 0 EGADRP O=C1CCCN1c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925514498 1325186173 /nfs/dbraw/zinc/18/61/73/1325186173.db2.gz PJEOOLVMOYNFFP-PMACEKPBSA-N 2 0 341.499 3.071 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN[C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925522055 1325187796 /nfs/dbraw/zinc/18/77/96/1325187796.db2.gz QMQDWLVOGFMHHD-PMACEKPBSA-N 2 0 327.516 3.163 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CCC([NH2+]CCC3CC3)CC2)C1 ZINC000963420060 1325228908 /nfs/dbraw/zinc/22/89/08/1325228908.db2.gz GJEYHVNBEZXPOU-HDYDNRTBSA-N 2 0 349.563 3.124 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1 ZINC000925633692 1325240916 /nfs/dbraw/zinc/24/09/16/1325240916.db2.gz GJPXMWXHYONJNA-LJQANCHMSA-N 2 0 339.439 3.213 20 0 EGADRP COC(=O)Nc1cccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925672082 1325256682 /nfs/dbraw/zinc/25/66/82/1325256682.db2.gz TWVZTLXUZMIJIZ-GOSISDBHSA-N 2 0 327.428 3.435 20 0 EGADRP Clc1ccccc1N1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925714939 1325267133 /nfs/dbraw/zinc/26/71/33/1325267133.db2.gz ZPGJCVCJOQNRPH-YJBOKZPZSA-N 2 0 333.907 3.431 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000925708690 1325267791 /nfs/dbraw/zinc/26/77/91/1325267791.db2.gz NDZMQVAEXZYBNM-UHFFFAOYSA-N 2 0 349.519 3.018 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000925730638 1325273154 /nfs/dbraw/zinc/27/31/54/1325273154.db2.gz PLOHMPRHSHFRAU-OALUTQOASA-N 2 0 332.875 3.313 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000925732280 1325274834 /nfs/dbraw/zinc/27/48/34/1325274834.db2.gz XOMPZBBUYBQKCT-PKOBYXMFSA-N 2 0 332.875 3.486 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000963902202 1325427284 /nfs/dbraw/zinc/42/72/84/1325427284.db2.gz HFJWYFZAODNKDQ-KKXNLOMOSA-N 2 0 349.563 3.268 20 0 EGADRP CC1([NH+]2CCCC2)CCC(NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000926145068 1325446304 /nfs/dbraw/zinc/44/63/04/1325446304.db2.gz BMSAXJSZMRGXQR-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000926201484 1325468066 /nfs/dbraw/zinc/46/80/66/1325468066.db2.gz DFZJZCVVGVBASI-DLBZAZTESA-N 2 0 342.487 3.018 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000964021946 1325477262 /nfs/dbraw/zinc/47/72/62/1325477262.db2.gz OLEYBRWLFKEDCY-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP CN(C(=O)C[NH+]1CCCC1)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000964392297 1325503484 /nfs/dbraw/zinc/50/34/84/1325503484.db2.gz JTAZRNSHWFTKRU-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP COc1ccnc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000926325383 1325516944 /nfs/dbraw/zinc/51/69/44/1325516944.db2.gz LRQOYLRYKCIESO-AEFFLSMTSA-N 2 0 325.456 3.263 20 0 EGADRP CC(C)[N@@H+]1CCCN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC1 ZINC000857110303 1325573299 /nfs/dbraw/zinc/57/32/99/1325573299.db2.gz UCJDQLRCCCFUSD-HXUWFJFHSA-N 2 0 343.515 3.052 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857143997 1325580661 /nfs/dbraw/zinc/58/06/61/1325580661.db2.gz CVAXVNPHOZHAOX-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C[C@@H]1C ZINC000857165770 1325586716 /nfs/dbraw/zinc/58/67/16/1325586716.db2.gz AVOWEPNZRHGHJY-ZWOKBUDYSA-N 2 0 343.515 3.051 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926535598 1325589116 /nfs/dbraw/zinc/58/91/16/1325589116.db2.gz BZXSSGWNSICGJD-CVAIRZPRSA-N 2 0 342.487 3.053 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001027444545 1327685106 /nfs/dbraw/zinc/68/51/06/1327685106.db2.gz SSUYJRGDZGOENP-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC001027445082 1327685963 /nfs/dbraw/zinc/68/59/63/1327685963.db2.gz ZMUGKUAVKBIPMQ-PMACEKPBSA-N 2 0 347.547 3.140 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449631 1327690515 /nfs/dbraw/zinc/69/05/15/1327690515.db2.gz DZBSSWUGRGCYKG-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP C[N@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027466842 1327721509 /nfs/dbraw/zinc/72/15/09/1327721509.db2.gz YHHBGJKXGBXBCE-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541846 1327844281 /nfs/dbraw/zinc/84/42/81/1327844281.db2.gz CBKVVJSCGWMIFQ-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CCOCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000927086697 1327854286 /nfs/dbraw/zinc/85/42/86/1327854286.db2.gz MPVDAKADCINDLI-NJDAHSKKSA-N 2 0 346.515 3.072 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694396 1328100985 /nfs/dbraw/zinc/10/09/85/1328100985.db2.gz XJSTZRPHDNNTGN-FQEVSTJZSA-N 2 0 347.547 3.286 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966071923 1328168919 /nfs/dbraw/zinc/16/89/19/1328168919.db2.gz BRYCZUSSTNRVHW-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001027992882 1328459442 /nfs/dbraw/zinc/45/94/42/1328459442.db2.gz GUVGQDGLUBERAO-CTWPCTMYSA-N 2 0 347.547 3.022 20 0 EGADRP CCN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)C1CC[NH+](C)CC1 ZINC000863921462 1329589003 /nfs/dbraw/zinc/58/90/03/1329589003.db2.gz HPXQYKPEKZQASP-IBGZPJMESA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3nc(C(C)(C)C)cs3)c2)CC1 ZINC000865295720 1329684470 /nfs/dbraw/zinc/68/44/70/1329684470.db2.gz KJKZWGBRIJTBBK-UHFFFAOYSA-N 2 0 345.516 3.200 20 0 EGADRP O=C(c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1)N1CCCC1 ZINC000865579822 1329716194 /nfs/dbraw/zinc/71/61/94/1329716194.db2.gz GHQLAEOCEXFPBN-UHFFFAOYSA-N 2 0 343.515 3.278 20 0 EGADRP Brc1ncccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000865635659 1329723358 /nfs/dbraw/zinc/72/33/58/1329723358.db2.gz OAGDLLSVZCYHBB-UHFFFAOYSA-N 2 0 338.293 3.056 20 0 EGADRP Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)no1 ZINC000931934475 1329772493 /nfs/dbraw/zinc/77/24/93/1329772493.db2.gz DQANAXQUUPAYOY-LJQANCHMSA-N 2 0 340.471 3.353 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000932970023 1329851990 /nfs/dbraw/zinc/85/19/90/1329851990.db2.gz TYTNEAIWIVPPOX-INIZCTEOSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000866469422 1330116548 /nfs/dbraw/zinc/11/65/48/1330116548.db2.gz ICMKAPDLNPLSOG-GHTZIAJQSA-N 3 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866637173 1330136585 /nfs/dbraw/zinc/13/65/85/1330136585.db2.gz STHXLXNKZCIOLJ-OXJNMPFZSA-N 2 0 334.504 3.219 20 0 EGADRP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000866698758 1330142064 /nfs/dbraw/zinc/14/20/64/1330142064.db2.gz DDLLOJUVVPFIEF-UHFFFAOYSA-N 2 0 325.456 3.242 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)CC2(C)C)CC1 ZINC000940994785 1331288756 /nfs/dbraw/zinc/28/87/56/1331288756.db2.gz YXSJKNGITKWFEV-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC2(C)C)o1 ZINC000941244757 1331409728 /nfs/dbraw/zinc/40/97/28/1331409728.db2.gz NYDWEZDJQAOTEE-GOSISDBHSA-N 2 0 349.519 3.360 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098882 1331829306 /nfs/dbraw/zinc/82/93/06/1331829306.db2.gz CHJHBMZQFMTKGM-RHSMWYFYSA-N 2 0 349.544 3.050 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518506 1331950684 /nfs/dbraw/zinc/95/06/84/1331950684.db2.gz SMEVPVLDIOFPIK-HNAYVOBHSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943305 1332458964 /nfs/dbraw/zinc/45/89/64/1332458964.db2.gz GPYATVKYUIGXPK-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028566 1332481068 /nfs/dbraw/zinc/48/10/68/1332481068.db2.gz JQFOZHFEOWEQNE-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089050 1332496810 /nfs/dbraw/zinc/49/68/10/1332496810.db2.gz DSXBNMBUUIJQRJ-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586279 1332858135 /nfs/dbraw/zinc/85/81/35/1332858135.db2.gz ASKOUKNPLOIFBD-YSTOQKLRSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902770 1332929114 /nfs/dbraw/zinc/92/91/14/1332929114.db2.gz YGDLMCZBLIGHDV-BGYRXZFFSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC000947309597 1333084053 /nfs/dbraw/zinc/08/40/53/1333084053.db2.gz GJYQXMWODTVOQG-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436441 1333127193 /nfs/dbraw/zinc/12/71/93/1333127193.db2.gz IXBGGTPOKCTKBH-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615142 1333193008 /nfs/dbraw/zinc/19/30/08/1333193008.db2.gz FLLDDIRFUZGCPN-WMZOPIPTSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000947615364 1333193129 /nfs/dbraw/zinc/19/31/29/1333193129.db2.gz ICWRHJSATVJRGL-IEBWSBKVSA-N 2 0 343.515 3.030 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947776454 1333258401 /nfs/dbraw/zinc/25/84/01/1333258401.db2.gz WFVIRFWEXDGUFI-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000947882113 1333290105 /nfs/dbraw/zinc/29/01/05/1333290105.db2.gz OEERCOLWLSZEQA-FXAWDEMLSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947907369 1333301208 /nfs/dbraw/zinc/30/12/08/1333301208.db2.gz GZFJUGBWRBLIOL-YLJYHZDGSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948439015 1333525700 /nfs/dbraw/zinc/52/57/00/1333525700.db2.gz FUWPRYUXGGRXDG-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000948553913 1333572108 /nfs/dbraw/zinc/57/21/08/1333572108.db2.gz OGDNUUCSIBAONY-ZWKOTPCHSA-N 2 0 349.544 3.045 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574819 1333583419 /nfs/dbraw/zinc/58/34/19/1333583419.db2.gz LMJSKWRQQUVTOM-UXHICEINSA-N 2 0 349.563 3.386 20 0 EGADRP CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948706048 1333641103 /nfs/dbraw/zinc/64/11/03/1333641103.db2.gz SOPRZIDDITZZMT-IEBWSBKVSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000948738978 1333653504 /nfs/dbraw/zinc/65/35/04/1333653504.db2.gz SPYONNGSYUNPJA-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948770669 1333671794 /nfs/dbraw/zinc/67/17/94/1333671794.db2.gz KEUKYQLENLQTHE-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000949011744 1333765611 /nfs/dbraw/zinc/76/56/11/1333765611.db2.gz GYQHWDSCRDBDIR-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CN(CC=C(C)C)C1 ZINC000950330425 1334042893 /nfs/dbraw/zinc/04/28/93/1334042893.db2.gz FUKYKTFFQMRAKE-SFHVURJKSA-N 2 0 347.547 3.140 20 0 EGADRP CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC000950708005 1334119410 /nfs/dbraw/zinc/11/94/10/1334119410.db2.gz HSCDACFAXINOTG-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000952444588 1334461218 /nfs/dbraw/zinc/46/12/18/1334461218.db2.gz WUQDGGXHSYVPHU-UYAOXDASSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708779 1335805150 /nfs/dbraw/zinc/80/51/50/1335805150.db2.gz VRHMVZDXZOIORJ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968645348 1335995442 /nfs/dbraw/zinc/99/54/42/1335995442.db2.gz WXYXDVQGGRMNLR-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC000968916178 1336087592 /nfs/dbraw/zinc/08/75/92/1336087592.db2.gz YGOIRMSMOSDADA-QZTJIDSGSA-N 2 0 349.544 3.010 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000968915231 1336087675 /nfs/dbraw/zinc/08/76/75/1336087675.db2.gz DYQQGWIYXMHGJW-QUCCMNQESA-N 2 0 345.531 3.084 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968915301 1336087766 /nfs/dbraw/zinc/08/77/66/1336087766.db2.gz HRTZRNQDPCZUTP-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968920242 1336088715 /nfs/dbraw/zinc/08/87/15/1336088715.db2.gz RWPXELZFEXCKCJ-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936201 1336095923 /nfs/dbraw/zinc/09/59/23/1336095923.db2.gz CYJGBRDSDVMWCQ-WBVHZDCISA-N 2 0 346.450 3.057 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000969170708 1336170614 /nfs/dbraw/zinc/17/06/14/1336170614.db2.gz UQUBDARGCLGDKL-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000970029153 1336272875 /nfs/dbraw/zinc/27/28/75/1336272875.db2.gz XUNILWIIEYUSNC-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC000970718981 1336335670 /nfs/dbraw/zinc/33/56/70/1336335670.db2.gz NWCOPBDRMRXPLP-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005661844 1336388461 /nfs/dbraw/zinc/38/84/61/1336388461.db2.gz ZQGNEWJOHIGKRF-UHFFFAOYSA-N 2 0 347.547 3.118 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005814809 1336403976 /nfs/dbraw/zinc/40/39/76/1336403976.db2.gz HSNADQNHPXNPEA-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005996741 1336435553 /nfs/dbraw/zinc/43/55/53/1336435553.db2.gz MOYRIETTWHAOTM-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006001474 1336435940 /nfs/dbraw/zinc/43/59/40/1336435940.db2.gz OBICSGRRJPSREO-XLIONFOSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001006083348 1336449328 /nfs/dbraw/zinc/44/93/28/1336449328.db2.gz DCDLFHHFNWETTR-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)C(C)(C)c1cnc[nH]1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006292038 1336484243 /nfs/dbraw/zinc/48/42/43/1336484243.db2.gz KYWIPYVRBFUXQI-UHFFFAOYSA-N 2 0 346.519 3.046 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007457408 1336650551 /nfs/dbraw/zinc/65/05/51/1336650551.db2.gz MYASZKLLXDJABX-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007747696 1336694331 /nfs/dbraw/zinc/69/43/31/1336694331.db2.gz RDUVHVDSVIULHO-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759126 1336921399 /nfs/dbraw/zinc/92/13/99/1336921399.db2.gz DEMBRCQYLUBHPJ-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001008767995 1336923049 /nfs/dbraw/zinc/92/30/49/1336923049.db2.gz MHJOOQGVBOXCTE-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001008772011 1336923898 /nfs/dbraw/zinc/92/38/98/1336923898.db2.gz WSDWRXSYELTTTK-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001009049237 1336960236 /nfs/dbraw/zinc/96/02/36/1336960236.db2.gz HYQZHRAOWVLBJK-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)C)C1 ZINC001009167887 1336979621 /nfs/dbraw/zinc/97/96/21/1336979621.db2.gz JYRBUOXZDMFEGP-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)C2)c1 ZINC001009607725 1337045865 /nfs/dbraw/zinc/04/58/65/1337045865.db2.gz CVJKUTUGARWHRK-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001014425210 1337774171 /nfs/dbraw/zinc/77/41/71/1337774171.db2.gz NZRIIWCUXYOPEW-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001014508943 1337802238 /nfs/dbraw/zinc/80/22/38/1337802238.db2.gz PFAIYPZPIHGPHE-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014911481 1337948305 /nfs/dbraw/zinc/94/83/05/1337948305.db2.gz UPCAFWBIBRAYIG-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015112922 1338023380 /nfs/dbraw/zinc/02/33/80/1338023380.db2.gz HBPHBEKABPLJLK-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015291959 1338087271 /nfs/dbraw/zinc/08/72/71/1338087271.db2.gz XIPIOVJOZUYRHV-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015291955 1338087372 /nfs/dbraw/zinc/08/73/72/1338087372.db2.gz XIPIOVJOZUYRHV-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016660740 1338681454 /nfs/dbraw/zinc/68/14/54/1338681454.db2.gz AWSYKXBKPGKWRO-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662717 1338682937 /nfs/dbraw/zinc/68/29/37/1338682937.db2.gz MXFOFKBWMJDCBS-MOPGFXCFSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017143738 1338894518 /nfs/dbraw/zinc/89/45/18/1338894518.db2.gz YWRMFLFLSSQBHY-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001017172260 1338917310 /nfs/dbraw/zinc/91/73/10/1338917310.db2.gz KMDCQRQEKZQWOC-LJQANCHMSA-N 2 0 346.519 3.024 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001017208392 1338954587 /nfs/dbraw/zinc/95/45/87/1338954587.db2.gz GDEFGAKFDSVQLJ-QUCCMNQESA-N 2 0 347.547 3.142 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017617258 1339377831 /nfs/dbraw/zinc/37/78/31/1339377831.db2.gz KUNBPKQLKKEDDV-SLFFLAALSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018838344 1339736300 /nfs/dbraw/zinc/73/63/00/1339736300.db2.gz YFCDDIWFXQCSOM-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCCC2)CC[N@@H+]1C ZINC001028096656 1340423889 /nfs/dbraw/zinc/42/38/89/1340423889.db2.gz BDSYMXWDOLTHPV-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCC(C)(C)CC2)CC1 ZINC001028118193 1340439284 /nfs/dbraw/zinc/43/92/84/1340439284.db2.gz XFDGVFLNAWFDBN-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001028180756 1340471275 /nfs/dbraw/zinc/47/12/75/1340471275.db2.gz FJULJMSYPKZYCK-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001028234786 1340496501 /nfs/dbraw/zinc/49/65/01/1340496501.db2.gz HROVJIKIPBEAQB-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235487 1340497728 /nfs/dbraw/zinc/49/77/28/1340497728.db2.gz YXUJRFZEKLNMBT-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001028334612 1340571311 /nfs/dbraw/zinc/57/13/11/1340571311.db2.gz DXPDKMSNUWAZHF-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001028334613 1340571768 /nfs/dbraw/zinc/57/17/68/1340571768.db2.gz DXPDKMSNUWAZHF-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001028636277 1340737647 /nfs/dbraw/zinc/73/76/47/1340737647.db2.gz NQYVLJMNJXSFPZ-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028658665 1340744300 /nfs/dbraw/zinc/74/43/00/1340744300.db2.gz BXDUACWYVXNUOL-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001028918441 1340883920 /nfs/dbraw/zinc/88/39/20/1340883920.db2.gz IATOUBSCXJJJCL-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001028918442 1340884158 /nfs/dbraw/zinc/88/41/58/1340884158.db2.gz IATOUBSCXJJJCL-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CCC(C)(C)C)C2)c1 ZINC001029001406 1340904982 /nfs/dbraw/zinc/90/49/82/1340904982.db2.gz XDNUVJIKLMIDCA-GOSISDBHSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001029107834 1340931768 /nfs/dbraw/zinc/93/17/68/1340931768.db2.gz QZPQXICMIOECGU-INIZCTEOSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001029147095 1340943055 /nfs/dbraw/zinc/94/30/55/1340943055.db2.gz NHHNLGZKRLWBJI-SJORKVTESA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029164419 1340946201 /nfs/dbraw/zinc/94/62/01/1340946201.db2.gz JRJOJHUUOIEDTA-HKUYNNGSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001029165880 1340946530 /nfs/dbraw/zinc/94/65/30/1340946530.db2.gz RHXGFVMWTMXRKG-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029172219 1340948295 /nfs/dbraw/zinc/94/82/95/1340948295.db2.gz AAVBKCRKVWLMMT-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001029173499 1340948507 /nfs/dbraw/zinc/94/85/07/1340948507.db2.gz OPKMSAKYUFJODC-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001029477536 1340998254 /nfs/dbraw/zinc/99/82/54/1340998254.db2.gz HQWVQSQKJJGPTE-LMCOJAPRSA-N 2 0 343.515 3.071 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029596113 1341018503 /nfs/dbraw/zinc/01/85/03/1341018503.db2.gz ZTQJEBVKIFLSTD-TZRIAGMCSA-N 2 0 345.531 3.035 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029596892 1341018885 /nfs/dbraw/zinc/01/88/85/1341018885.db2.gz DHBJRLYEFVWODJ-BGYRXZFFSA-N 2 0 345.531 3.038 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674134 1341039778 /nfs/dbraw/zinc/03/97/78/1341039778.db2.gz CQMIKLYSSYGGAK-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCCCC3)C2)CCC1 ZINC001029756363 1341064071 /nfs/dbraw/zinc/06/40/71/1341064071.db2.gz UTNUAOMQFFTLQV-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029774213 1341070016 /nfs/dbraw/zinc/07/00/16/1341070016.db2.gz KVCXPDSCLXZSQA-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001029886676 1341105008 /nfs/dbraw/zinc/10/50/08/1341105008.db2.gz IBUGORARYCENMQ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029910631 1341113738 /nfs/dbraw/zinc/11/37/38/1341113738.db2.gz SYLRPQKXEFQHFC-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1)CC1CCCCCC1 ZINC001030013718 1341158155 /nfs/dbraw/zinc/15/81/55/1341158155.db2.gz QLGNTOIESZQLEY-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001030020077 1341159700 /nfs/dbraw/zinc/15/97/00/1341159700.db2.gz LHZIEOIPYZVZFD-JCGIZDLHSA-N 2 0 349.906 3.076 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001030019299 1341159723 /nfs/dbraw/zinc/15/97/23/1341159723.db2.gz JDCALBZVLJIVII-ZCNNSNEGSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001030444357 1341188030 /nfs/dbraw/zinc/18/80/30/1341188030.db2.gz IKDIWZFBVNJRDC-LJQANCHMSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031667161 1341385586 /nfs/dbraw/zinc/38/55/86/1341385586.db2.gz ZYAVPGHLSUZLEU-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031767785 1341399283 /nfs/dbraw/zinc/39/92/83/1341399283.db2.gz YESLEGXKHDMFHV-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033125179 1341733287 /nfs/dbraw/zinc/73/32/87/1341733287.db2.gz AHDMHXOXAUKZKK-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033143899 1341738425 /nfs/dbraw/zinc/73/84/25/1341738425.db2.gz NJDJWTCKGFNEIB-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033365094 1341797118 /nfs/dbraw/zinc/79/71/18/1341797118.db2.gz KAUVESPNYMKIAH-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001033548818 1341867285 /nfs/dbraw/zinc/86/72/85/1341867285.db2.gz UPKZMYULKKDSTJ-IBGZPJMESA-N 2 0 349.563 3.076 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033927773 1342092671 /nfs/dbraw/zinc/09/26/71/1342092671.db2.gz PDSLRGBBKLAINW-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001034049597 1342189923 /nfs/dbraw/zinc/18/99/23/1342189923.db2.gz BOHPIVOCOJRZIL-MRXNPFEDSA-N 2 0 335.492 3.066 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001034437670 1342500010 /nfs/dbraw/zinc/50/00/10/1342500010.db2.gz IBACOWOHCGJHCI-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034440010 1342501407 /nfs/dbraw/zinc/50/14/07/1342501407.db2.gz YIFVQYCBBXIQLL-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034487614 1342545914 /nfs/dbraw/zinc/54/59/14/1342545914.db2.gz PKEIEDAKNJRUFF-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034490636 1342547004 /nfs/dbraw/zinc/54/70/04/1342547004.db2.gz MKDIKTAFDUUKDZ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@H+](C/C=C/Cl)C1 ZINC001034543202 1342604139 /nfs/dbraw/zinc/60/41/39/1342604139.db2.gz ZLWJRFRKKHPDTF-ZBZNSMLMSA-N 2 0 349.906 3.085 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034658798 1342676000 /nfs/dbraw/zinc/67/60/00/1342676000.db2.gz GUEDSUYTJUUQPT-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001034736265 1342729092 /nfs/dbraw/zinc/72/90/92/1342729092.db2.gz VASQPGMJTPISKK-WBAXXEDZSA-N 2 0 349.544 3.058 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034795262 1342762005 /nfs/dbraw/zinc/76/20/05/1342762005.db2.gz YTJTUXUTMQSWCF-WGSAOQKQSA-N 2 0 335.536 3.070 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1 ZINC001034828196 1342789332 /nfs/dbraw/zinc/78/93/32/1342789332.db2.gz NNWMVZNTBGXRFK-IBGZPJMESA-N 2 0 331.504 3.067 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001035052478 1342899194 /nfs/dbraw/zinc/89/91/94/1342899194.db2.gz YGIBBPDSERZASR-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001035069668 1342911126 /nfs/dbraw/zinc/91/11/26/1342911126.db2.gz CSXMXUJYACVSFY-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035194024 1343007461 /nfs/dbraw/zinc/00/74/61/1343007461.db2.gz STKZKIANKGGYHX-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CC(C)(C)C3)C2)CC1)[NH+](C)C ZINC001035228843 1343050560 /nfs/dbraw/zinc/05/05/60/1343050560.db2.gz CNCJGFSBTVCYOM-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC3(C[NH+](CCC(C)(C)C)C3)CC2)CC1 ZINC001035809932 1343210098 /nfs/dbraw/zinc/21/00/98/1343210098.db2.gz FQDJXJXKWPJGKY-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036098975 1343312239 /nfs/dbraw/zinc/31/22/39/1343312239.db2.gz XCAZGPNIPKIGSE-QFBILLFUSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001036180548 1343349752 /nfs/dbraw/zinc/34/97/52/1343349752.db2.gz ULYITDWIFYJRNT-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036201161 1343360373 /nfs/dbraw/zinc/36/03/73/1343360373.db2.gz BZLBVFNFPTUTFZ-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001036297219 1343402764 /nfs/dbraw/zinc/40/27/64/1343402764.db2.gz KMPAAJQDMJORHT-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001036407387 1343468611 /nfs/dbraw/zinc/46/86/11/1343468611.db2.gz VXAQFJQZOINEMN-HUUCEWRRSA-N 2 0 337.533 3.048 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036412097 1343471517 /nfs/dbraw/zinc/47/15/17/1343471517.db2.gz LNSWWBRSZDFUAG-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036599403 1343570302 /nfs/dbraw/zinc/57/03/02/1343570302.db2.gz JZLXYFZTFOVJGT-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001037078387 1343970527 /nfs/dbraw/zinc/97/05/27/1343970527.db2.gz IZLJACGOFIUECH-MOPGFXCFSA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037107293 1343976185 /nfs/dbraw/zinc/97/61/85/1343976185.db2.gz PTGPLPPRYOFMML-WOJBJXKFSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037928992 1344187462 /nfs/dbraw/zinc/18/74/62/1344187462.db2.gz VMCQVGKFBNZLHV-QUCCMNQESA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037975791 1344215172 /nfs/dbraw/zinc/21/51/72/1344215172.db2.gz IYBBFKQGLSSQOP-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1[NH2+]CC(C)C ZINC001037986248 1344221174 /nfs/dbraw/zinc/22/11/74/1344221174.db2.gz ZOIVEWYWYFSXKF-ICSRJNTNSA-N 2 0 345.531 3.235 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038329253 1344381982 /nfs/dbraw/zinc/38/19/82/1344381982.db2.gz PASZNLIEXPJQCX-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038625877 1344509708 /nfs/dbraw/zinc/50/97/08/1344509708.db2.gz SMJHIDOTHOCAKS-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001038906600 1344644996 /nfs/dbraw/zinc/64/49/96/1344644996.db2.gz CHSZJXBAFJMSLG-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001038908080 1344646829 /nfs/dbraw/zinc/64/68/29/1344646829.db2.gz HNHFDTUJIWLOMI-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039136971 1344815662 /nfs/dbraw/zinc/81/56/62/1344815662.db2.gz LEVHQOVWEZTBQA-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039285253 1344996676 /nfs/dbraw/zinc/99/66/76/1344996676.db2.gz FGDZOBPAJOJPOP-AYHJJNSGSA-N 2 0 340.471 3.106 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039309656 1345007536 /nfs/dbraw/zinc/00/75/36/1345007536.db2.gz VDVLGGOYARCFOT-IHWFROFDSA-N 2 0 343.515 3.272 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039313799 1345009467 /nfs/dbraw/zinc/00/94/67/1345009467.db2.gz QADORSBZDPZVLQ-XVLXNVKGSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375334 1345032738 /nfs/dbraw/zinc/03/27/38/1345032738.db2.gz YPQQHEHCSNZGOG-RLLQIKCJSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474562 1345089267 /nfs/dbraw/zinc/08/92/67/1345089267.db2.gz OOOQPELIINANQU-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001039652850 1345153634 /nfs/dbraw/zinc/15/36/34/1345153634.db2.gz RNCDRJGUMLOUCZ-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001039681618 1345157475 /nfs/dbraw/zinc/15/74/75/1345157475.db2.gz KEMXOKIRQWAMHU-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CC1 ZINC001039937950 1345251903 /nfs/dbraw/zinc/25/19/03/1345251903.db2.gz JBFAOYATSRSAQC-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C(C)C)o1 ZINC001040022006 1345290812 /nfs/dbraw/zinc/29/08/12/1345290812.db2.gz QDLQCOFMMIAZNP-CALCHBBNSA-N 2 0 347.503 3.209 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295483 1345417751 /nfs/dbraw/zinc/41/77/51/1345417751.db2.gz GEQARRYXCYIJNX-FQEVSTJZSA-N 2 0 340.471 3.063 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463528 1345510049 /nfs/dbraw/zinc/51/00/49/1345510049.db2.gz HEDZHDRCAFECFW-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543936 1345539114 /nfs/dbraw/zinc/53/91/14/1345539114.db2.gz RUBCSADKYLXMPP-FPOVZHCZSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336366 1345705674 /nfs/dbraw/zinc/70/56/74/1345705674.db2.gz OKVHYCFOHHTCPL-LJQANCHMSA-N 2 0 349.544 3.004 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041373386 1345711545 /nfs/dbraw/zinc/71/15/45/1345711545.db2.gz UQWXLEQHKMBIQH-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041845233 1345871612 /nfs/dbraw/zinc/87/16/12/1345871612.db2.gz VVJKSWBEENUGFR-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2C[NH+](CCC3CCCCC3)C2)C1 ZINC001042912894 1346124802 /nfs/dbraw/zinc/12/48/02/1346124802.db2.gz WKLSDJJEXOQNLB-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCC2CCCCC2)C1 ZINC001044183925 1346267897 /nfs/dbraw/zinc/26/78/97/1346267897.db2.gz WMFRLDUICAYONS-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630475 1346388153 /nfs/dbraw/zinc/38/81/53/1346388153.db2.gz WSMARCCCOUNZNF-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001044680786 1346402220 /nfs/dbraw/zinc/40/22/20/1346402220.db2.gz HQMVQJFMKOITOE-YJBOKZPZSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044731188 1346414840 /nfs/dbraw/zinc/41/48/40/1346414840.db2.gz DXZITMYZXKDTLV-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC(C)C)C[C@H]2C)o1 ZINC001044878253 1346452981 /nfs/dbraw/zinc/45/29/81/1346452981.db2.gz LGETXNPQQLICOP-SJORKVTESA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045068409 1346489362 /nfs/dbraw/zinc/48/93/62/1346489362.db2.gz KOQRTYJIJPJCOL-ROUUACIJSA-N 2 0 349.544 3.092 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045385816 1346579818 /nfs/dbraw/zinc/57/98/18/1346579818.db2.gz YBUCLRBLUXTUEM-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001045444878 1346595495 /nfs/dbraw/zinc/59/54/95/1346595495.db2.gz IDYVYGLIGKDFOX-JWHDQAAXSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CCC(C[NH+]2CCC(C)(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001045544192 1346624269 /nfs/dbraw/zinc/62/42/69/1346624269.db2.gz ZCQCLXQAEZHPRF-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045584553 1346637036 /nfs/dbraw/zinc/63/70/36/1346637036.db2.gz GRRMGAZAIPIGFY-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045584551 1346637070 /nfs/dbraw/zinc/63/70/70/1346637070.db2.gz GRRMGAZAIPIGFY-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP CC1(NC(=O)C23CC[NH+](CC2)C3)CC[NH+](CCCC2CCCC2)CC1 ZINC001045621999 1346650215 /nfs/dbraw/zinc/65/02/15/1346650215.db2.gz YQIFAEAAIHGRSO-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001045847479 1346720084 /nfs/dbraw/zinc/72/00/84/1346720084.db2.gz HRTDDGCJFLIXFV-SXLOBPIMSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](CC(C)C)C3)C2)CC[N@@H+]1C ZINC001045938998 1346775061 /nfs/dbraw/zinc/77/50/61/1346775061.db2.gz RIXJHRSXFLHUGG-QKNQBKEWSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045951920 1346786748 /nfs/dbraw/zinc/78/67/48/1346786748.db2.gz KJEMWFQLUARHIX-HXUWFJFHSA-N 2 0 340.471 3.061 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960448 1346795254 /nfs/dbraw/zinc/79/52/54/1346795254.db2.gz KBQAWJDDJQTHFY-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318366 1346933248 /nfs/dbraw/zinc/93/32/48/1346933248.db2.gz KUJDOQKAJAHRAT-NQIIRXRSSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001046554339 1347015034 /nfs/dbraw/zinc/01/50/34/1347015034.db2.gz OMEAZEFOABXQTD-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046562321 1347018321 /nfs/dbraw/zinc/01/83/21/1347018321.db2.gz MJFPXDJRSLLIKL-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863613 1347135994 /nfs/dbraw/zinc/13/59/94/1347135994.db2.gz DZSAGIMOUANOEK-LJQANCHMSA-N 2 0 335.492 3.116 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047244409 1347269749 /nfs/dbraw/zinc/26/97/49/1347269749.db2.gz RJLQHJZTHXZBTH-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](CC)CC3)C2)C1 ZINC001047248598 1347273435 /nfs/dbraw/zinc/27/34/35/1347273435.db2.gz NGGBKSBRQXBBBL-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](CCC3CC3)CC2)C1)[NH+](C)C ZINC001047256089 1347279683 /nfs/dbraw/zinc/27/96/83/1347279683.db2.gz GNGLWDRUVVIFKL-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](CCC3CC3)CC2)C1)[NH+](C)C ZINC001047256088 1347279698 /nfs/dbraw/zinc/27/96/98/1347279698.db2.gz GNGLWDRUVVIFKL-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698241 1357350487 /nfs/dbraw/zinc/35/04/87/1357350487.db2.gz QTSKVFJLSKXWPD-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048056773 1347454493 /nfs/dbraw/zinc/45/44/93/1347454493.db2.gz AGJOUWGTHDJTBW-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001048510466 1347572532 /nfs/dbraw/zinc/57/25/32/1347572532.db2.gz MPURPWKAUDPKKE-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525210 1347577218 /nfs/dbraw/zinc/57/72/18/1347577218.db2.gz OYNBYTHSMLKJBP-SWBPCFCJSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048526817 1347578196 /nfs/dbraw/zinc/57/81/96/1347578196.db2.gz MRKBWMHZKZGYLC-YRPNKDGESA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538252 1347583683 /nfs/dbraw/zinc/58/36/83/1347583683.db2.gz NNVRPWNKLUSCOU-OUUBHVDSSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001048611121 1347618212 /nfs/dbraw/zinc/61/82/12/1347618212.db2.gz OUHHPWOOBWQGMB-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001049165084 1347737547 /nfs/dbraw/zinc/73/75/47/1347737547.db2.gz GOQPKAZOGXWCGF-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC2CCCCC2)CCC1 ZINC001049517050 1347888136 /nfs/dbraw/zinc/88/81/36/1347888136.db2.gz GMBPDXALHAPTRZ-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049548876 1347902982 /nfs/dbraw/zinc/90/29/82/1347902982.db2.gz GGXPOPZCZZXZJC-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637594 1347947464 /nfs/dbraw/zinc/94/74/64/1347947464.db2.gz HRNYOLNIFNBGOO-ZWKOTPCHSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672391 1347966188 /nfs/dbraw/zinc/96/61/88/1347966188.db2.gz SJJVMXAGYONRMI-IJXRJRJASA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001049711507 1347986392 /nfs/dbraw/zinc/98/63/92/1347986392.db2.gz MOONIKFQWRGSOL-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001049711508 1347986918 /nfs/dbraw/zinc/98/69/18/1347986918.db2.gz MOONIKFQWRGSOL-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821178 1348037991 /nfs/dbraw/zinc/03/79/91/1348037991.db2.gz UFBNJMGCUFUALJ-WOJBJXKFSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050543689 1348286891 /nfs/dbraw/zinc/28/68/91/1348286891.db2.gz KCKZTTDWKKUNIK-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661547 1348320886 /nfs/dbraw/zinc/32/08/86/1348320886.db2.gz XXSYIQCQTZIRCT-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001050669005 1348322246 /nfs/dbraw/zinc/32/22/46/1348322246.db2.gz MUMUVBXWIMQTOX-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)CC2)[NH+](C)C ZINC001050669304 1348322325 /nfs/dbraw/zinc/32/23/25/1348322325.db2.gz VZBYAZDHQYBHNK-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CC2)CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001052447378 1348543696 /nfs/dbraw/zinc/54/36/96/1348543696.db2.gz CUEKYQKOUXTPLM-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448297 1348544628 /nfs/dbraw/zinc/54/46/28/1348544628.db2.gz XBAURIBZSQSNOW-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680746 1348627986 /nfs/dbraw/zinc/62/79/86/1348627986.db2.gz SQCGDGKRJQFLOS-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052764383 1348669614 /nfs/dbraw/zinc/66/96/14/1348669614.db2.gz NSCHIMJROIMJOR-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CC(C)C3)CC2)CC1 ZINC001052836628 1348695159 /nfs/dbraw/zinc/69/51/59/1348695159.db2.gz KOTYFFVYKACEPO-AFMYVXGZSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052955467 1348769821 /nfs/dbraw/zinc/76/98/21/1348769821.db2.gz GPUAGSVZBFQAPW-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052989937 1348790278 /nfs/dbraw/zinc/79/02/78/1348790278.db2.gz DYASPTBXEBVZSB-GESBCVMHSA-N 2 0 347.547 3.138 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053037361 1348837640 /nfs/dbraw/zinc/83/76/40/1348837640.db2.gz ZBHIRUZLKGAKKZ-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053097128 1348927809 /nfs/dbraw/zinc/92/78/09/1348927809.db2.gz CMVSZCDBEZSJMN-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142494 1349152900 /nfs/dbraw/zinc/15/29/00/1349152900.db2.gz CZDZEJALNWVKAX-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054159470 1349160977 /nfs/dbraw/zinc/16/09/77/1349160977.db2.gz VVCSXDLTBCLBBQ-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164277 1349167493 /nfs/dbraw/zinc/16/74/93/1349167493.db2.gz FZXVZLJFRYRWDA-FQEVSTJZSA-N 2 0 340.471 3.063 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2C1 ZINC001054273170 1349272713 /nfs/dbraw/zinc/27/27/13/1349272713.db2.gz YPADALRKUXQEPB-UHFFFAOYSA-N 2 0 341.499 3.047 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285311 1349286630 /nfs/dbraw/zinc/28/66/30/1349286630.db2.gz CQNYWBVFZXWKMN-UXHICEINSA-N 2 0 341.499 3.044 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285717 1349288336 /nfs/dbraw/zinc/28/83/36/1349288336.db2.gz WIFJHTGNYAFXRW-VQTJNVASSA-N 2 0 341.499 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001054296263 1349301538 /nfs/dbraw/zinc/30/15/38/1349301538.db2.gz HBMHUDYZLMTMQE-IPELMVKDSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001054659337 1349431016 /nfs/dbraw/zinc/43/10/16/1349431016.db2.gz PVDUXENKWYFYFX-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080050622 1357468327 /nfs/dbraw/zinc/46/83/27/1357468327.db2.gz CJYKSUSHSGJJEA-JXXFODFXSA-N 2 0 348.450 3.146 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318486 1357572506 /nfs/dbraw/zinc/57/25/06/1357572506.db2.gz UJWZOXZRMDPRSI-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001080557195 1357678438 /nfs/dbraw/zinc/67/84/38/1357678438.db2.gz JVBVDYOOVJTDQU-KZNAEPCWSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001080756205 1357733752 /nfs/dbraw/zinc/73/37/52/1357733752.db2.gz LXYJORVAKYFKAM-GUDVDZBRSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080782889 1357738743 /nfs/dbraw/zinc/73/87/43/1357738743.db2.gz GGLHEHDGGKISRW-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507987 1354732536 /nfs/dbraw/zinc/73/25/36/1354732536.db2.gz FXGOAIKBQKIUHB-MSOLQXFVSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@@H+]1CC1CCCC1 ZINC001071600059 1354788005 /nfs/dbraw/zinc/78/80/05/1354788005.db2.gz FMGJMLMVCDUGEU-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735205 1354886877 /nfs/dbraw/zinc/88/68/77/1354886877.db2.gz HUQTUQMGQWMTDQ-SJLPKXTDSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCCC1CCC1 ZINC001071734809 1354887102 /nfs/dbraw/zinc/88/71/02/1354887102.db2.gz AXGHZUVYEPYFMZ-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCCC1CCC1 ZINC001071871725 1354997105 /nfs/dbraw/zinc/99/71/05/1354997105.db2.gz JYAYAUNSHJSTFV-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCC3CCC3)C2)CC1 ZINC001071920875 1355025502 /nfs/dbraw/zinc/02/55/02/1355025502.db2.gz YRFHVYOXNBJKGY-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCCCCC1 ZINC001072081005 1355118481 /nfs/dbraw/zinc/11/84/81/1355118481.db2.gz FJVLRIARTWDIDL-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccsc1)C1CCC1 ZINC001074023834 1356040089 /nfs/dbraw/zinc/04/00/89/1356040089.db2.gz JLMFBLAFOQKRLO-GOSISDBHSA-N 2 0 349.544 3.045 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001074025989 1356040195 /nfs/dbraw/zinc/04/01/95/1356040195.db2.gz BGXGGSBGRBTTCF-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001074092126 1356078255 /nfs/dbraw/zinc/07/82/55/1356078255.db2.gz WJERFVBGLPHLHJ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C)[NH+](C)C ZINC001074888372 1356280607 /nfs/dbraw/zinc/28/06/07/1356280607.db2.gz XWDOBPMTEYMAKV-IHPCNDPISA-N 2 0 345.531 3.031 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448310 1356381009 /nfs/dbraw/zinc/38/10/09/1356381009.db2.gz SXMSSSZVPJLRQY-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461520 1356394750 /nfs/dbraw/zinc/39/47/50/1356394750.db2.gz JZQJAWUUQXHZSD-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2)[NH+]1CCCCC1 ZINC001078625799 1357039494 /nfs/dbraw/zinc/03/94/94/1357039494.db2.gz GTEGJPDMQJKVKY-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001323142418 1387300224 /nfs/dbraw/zinc/30/02/24/1387300224.db2.gz IZTXJKJFUPJWIA-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001082698383 1358077637 /nfs/dbraw/zinc/07/76/37/1358077637.db2.gz FJDWAIOWMHECFZ-YZGWKJHDSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469596 1358220911 /nfs/dbraw/zinc/22/09/11/1358220911.db2.gz DCKSAILVMDPOEG-IEBWSBKVSA-N 2 0 349.563 3.218 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085225072 1358437660 /nfs/dbraw/zinc/43/76/60/1358437660.db2.gz HGLMEPTZLPFPLS-AQNXPRMDSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085639488 1358652226 /nfs/dbraw/zinc/65/22/26/1358652226.db2.gz PRVKDBBJHCMSRM-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1CCCCCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675421 1358679373 /nfs/dbraw/zinc/67/93/73/1358679373.db2.gz RZPNCGJRLVTHCG-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085688145 1358688063 /nfs/dbraw/zinc/68/80/63/1358688063.db2.gz CSHBYIHRQZCQMH-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1c(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001085686068 1358688524 /nfs/dbraw/zinc/68/85/24/1358688524.db2.gz IOWPBIBAXRGPPQ-QGZVFWFLSA-N 2 0 342.487 3.225 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCC2)CC1 ZINC001085901970 1358860013 /nfs/dbraw/zinc/86/00/13/1358860013.db2.gz RGOGNCUMBUDANU-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086177049 1359016348 /nfs/dbraw/zinc/01/63/48/1359016348.db2.gz CRNXIFQEROHULK-OMRUQTPYSA-N 2 0 349.563 3.027 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086250874 1359042369 /nfs/dbraw/zinc/04/23/69/1359042369.db2.gz QJGHIKDBGMCRBR-VWAQSERHSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086278642 1359051869 /nfs/dbraw/zinc/05/18/69/1359051869.db2.gz GUSCUJYSEOQHTB-XEYPJELSSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001086522807 1359130705 /nfs/dbraw/zinc/13/07/05/1359130705.db2.gz LOSOFHZOVBVXPY-RUCARUNLSA-N 2 0 349.563 3.027 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086734924 1359193336 /nfs/dbraw/zinc/19/33/36/1359193336.db2.gz YXPQRMVYIXLSLL-ZCNNSNEGSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942101 1359263584 /nfs/dbraw/zinc/26/35/84/1359263584.db2.gz IWXPVYMILKULLD-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086946504 1359267532 /nfs/dbraw/zinc/26/75/32/1359267532.db2.gz BBLXFBNWFGAMLD-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087175220 1359313667 /nfs/dbraw/zinc/31/36/67/1359313667.db2.gz BPWZRCRWFURDQB-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087249280 1359330401 /nfs/dbraw/zinc/33/04/01/1359330401.db2.gz SXLCZSVJKGQCQZ-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573159 1359538624 /nfs/dbraw/zinc/53/86/24/1359538624.db2.gz WGRUIDUKGJQKHV-YSIASYRMSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001087684723 1359587933 /nfs/dbraw/zinc/58/79/33/1359587933.db2.gz KROGHNJYTKGSSU-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)C)[C@@H]2CC)C1 ZINC001087696807 1359596642 /nfs/dbraw/zinc/59/66/42/1359596642.db2.gz NUMHHMZXGNJBET-CEXWTWQISA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC1CCCCC1 ZINC001087726127 1359614516 /nfs/dbraw/zinc/61/45/16/1359614516.db2.gz RZHKLGANKDXMSJ-YTQUADARSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087838883 1359672437 /nfs/dbraw/zinc/67/24/37/1359672437.db2.gz ZNJPYVKNNVIQPZ-LSTHTHJFSA-N 2 0 345.531 3.377 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087963761 1359720367 /nfs/dbraw/zinc/72/03/67/1359720367.db2.gz GJKZMCTXVNJXLM-QYZOEREBSA-N 2 0 349.563 3.076 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088212830 1359797846 /nfs/dbraw/zinc/79/78/46/1359797846.db2.gz SUCJRQOCIRVBBD-CEXWTWQISA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088323515 1359830996 /nfs/dbraw/zinc/83/09/96/1359830996.db2.gz QXHRSOFJSKGVCX-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001088327730 1359831419 /nfs/dbraw/zinc/83/14/19/1359831419.db2.gz VLTHJGBTVBZGAR-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001088327051 1359831471 /nfs/dbraw/zinc/83/14/71/1359831471.db2.gz FDEKQGNZEDRZKR-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CCc2ncc[nH]2)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001184273196 1387421964 /nfs/dbraw/zinc/42/19/64/1387421964.db2.gz JPTFBAIFNHLABK-IAGOWNOFSA-N 2 0 348.535 3.243 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001088404865 1359876974 /nfs/dbraw/zinc/87/69/74/1359876974.db2.gz IVFZMSQNJQBFOT-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088411743 1359883006 /nfs/dbraw/zinc/88/30/06/1359883006.db2.gz PADCZWZVPPVAJU-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001088426110 1359894435 /nfs/dbraw/zinc/89/44/35/1359894435.db2.gz LXNBCODJSIDQTJ-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001088433319 1359902509 /nfs/dbraw/zinc/90/25/09/1359902509.db2.gz SFKLNDLUBRBNLQ-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088579589 1359979181 /nfs/dbraw/zinc/97/91/81/1359979181.db2.gz QVECUNYCOUXEBJ-BTHPGYMESA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088616966 1359992230 /nfs/dbraw/zinc/99/22/30/1359992230.db2.gz SRAXVZKBKRUEQY-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622275 1359993253 /nfs/dbraw/zinc/99/32/53/1359993253.db2.gz OJHBLYQHXILUEZ-NZSAHSFTSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001088792550 1360046009 /nfs/dbraw/zinc/04/60/09/1360046009.db2.gz UGBMZBUDPHXCPB-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088898819 1360098246 /nfs/dbraw/zinc/09/82/46/1360098246.db2.gz XMRBSWLNUHEKMQ-YZGWKJHDSA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089401818 1360401152 /nfs/dbraw/zinc/40/11/52/1360401152.db2.gz XTAZSBNFTQNBSR-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089426202 1360419196 /nfs/dbraw/zinc/41/91/96/1360419196.db2.gz IINGVZIKBTZKAY-INIZCTEOSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001089459399 1360445761 /nfs/dbraw/zinc/44/57/61/1360445761.db2.gz VTJMNQHROUVTLN-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](C(C)C)CC(C)(C)C2)C1 ZINC001089473125 1360456399 /nfs/dbraw/zinc/45/63/99/1360456399.db2.gz SOCCBAPMVUZBCR-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089477606 1360460129 /nfs/dbraw/zinc/46/01/29/1360460129.db2.gz OGQSCHPBCIULFO-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC(C)(C)C1 ZINC001089616986 1360536919 /nfs/dbraw/zinc/53/69/19/1360536919.db2.gz QQPQIBLMGAPYRB-QZTJIDSGSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC=C(C)C)CC[N@@H+]1C ZINC001089642646 1360555047 /nfs/dbraw/zinc/55/50/47/1360555047.db2.gz OKXBSFUKCOGXLN-CEXWTWQISA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CC2)CC[N@@H+]1C ZINC001089643541 1360556228 /nfs/dbraw/zinc/55/62/28/1360556228.db2.gz XNJDCYJMZKNAPT-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089684182 1360589798 /nfs/dbraw/zinc/58/97/98/1360589798.db2.gz NINKUNUGZFBJTI-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(NCC1CC([NH2+]CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001091068435 1360988697 /nfs/dbraw/zinc/98/86/97/1360988697.db2.gz NPRFEDJDHWQZON-QLOJAFMTSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001184559489 1387492590 /nfs/dbraw/zinc/49/25/90/1387492590.db2.gz KXLDEPADMNSXRP-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001184609689 1387500074 /nfs/dbraw/zinc/50/00/74/1387500074.db2.gz UCZPQBWUXRQBDP-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092658337 1361434269 /nfs/dbraw/zinc/43/42/69/1361434269.db2.gz QANDEGMDYCZKDB-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056849 1361517518 /nfs/dbraw/zinc/51/75/18/1361517518.db2.gz SBXOUOZLXDLZGZ-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001094380072 1361779788 /nfs/dbraw/zinc/77/97/88/1361779788.db2.gz LGLYRASIWPOZMD-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503779 1361833316 /nfs/dbraw/zinc/83/33/16/1361833316.db2.gz SMPLXSXSFZINRI-TZIWHRDSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001324102420 1387542980 /nfs/dbraw/zinc/54/29/80/1387542980.db2.gz WZCDSZQFBBSVFV-BHIYHBOVSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891400 1387555988 /nfs/dbraw/zinc/55/59/88/1387555988.db2.gz FVUBPQXADHGKFN-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001184893714 1387557436 /nfs/dbraw/zinc/55/74/36/1387557436.db2.gz YMQJUMXIVFENKJ-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095668407 1362198833 /nfs/dbraw/zinc/19/88/33/1362198833.db2.gz OLYVFUJPLGZARC-YDZRNGNQSA-N 2 0 349.563 3.265 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC1 ZINC001096237302 1362447615 /nfs/dbraw/zinc/44/76/15/1362447615.db2.gz CDKAAMIXXLVGDP-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001097971860 1363184282 /nfs/dbraw/zinc/18/42/82/1363184282.db2.gz JVVZCTJQMGUXRQ-NBYUQASBSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)CC1 ZINC001098137760 1363231032 /nfs/dbraw/zinc/23/10/32/1363231032.db2.gz VVWBWYRJJAXEAE-QRVBRYPASA-N 2 0 349.563 3.265 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001098463655 1363333527 /nfs/dbraw/zinc/33/35/27/1363333527.db2.gz AJFLDDPABSIFKE-BDXSIMOUSA-N 2 0 335.536 3.019 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976536 1363551715 /nfs/dbraw/zinc/55/17/15/1363551715.db2.gz UZCGEMNRBOSTEE-XXCOWLKOSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111279 1363629704 /nfs/dbraw/zinc/62/97/04/1363629704.db2.gz XCUQIHCFCOSSAV-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099230046 1363703138 /nfs/dbraw/zinc/70/31/38/1363703138.db2.gz PWUNYZXZHFJBCE-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099235147 1363706327 /nfs/dbraw/zinc/70/63/27/1363706327.db2.gz PPLWIJWMCMDWGK-MSOLQXFVSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099354010 1363768242 /nfs/dbraw/zinc/76/82/42/1363768242.db2.gz LSTRBBWZCGIYEY-IBGZPJMESA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548177 1363841902 /nfs/dbraw/zinc/84/19/02/1363841902.db2.gz QZBOQGNEWGYLCV-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405797 1364104308 /nfs/dbraw/zinc/10/43/08/1364104308.db2.gz MWJKHBHSXIDDLA-WWDZGPRUSA-N 2 0 343.515 3.025 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100419615 1364108305 /nfs/dbraw/zinc/10/83/05/1364108305.db2.gz ZRHANSGTJPFQKA-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100419533 1364108509 /nfs/dbraw/zinc/10/85/09/1364108509.db2.gz WINVFHHQKZAWLJ-BKBBAENRSA-N 2 0 335.536 3.092 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001100456937 1364120609 /nfs/dbraw/zinc/12/06/09/1364120609.db2.gz JLAIDRCYMHOJIK-UHFFFAOYSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562674 1364163920 /nfs/dbraw/zinc/16/39/20/1364163920.db2.gz WVKMVYSJULUHBR-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100621290 1364193240 /nfs/dbraw/zinc/19/32/40/1364193240.db2.gz VOFALWWTZHULTG-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765912 1364251852 /nfs/dbraw/zinc/25/18/52/1364251852.db2.gz HDTJDQFCDIBXDI-IVOCHATRSA-N 2 0 337.552 3.194 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001324555677 1387670456 /nfs/dbraw/zinc/67/04/56/1387670456.db2.gz BMNFPQJYFPIDAG-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001100904972 1364324585 /nfs/dbraw/zinc/32/45/85/1364324585.db2.gz PWXNLVCQBLHKGD-LMDPOFIKSA-N 2 0 345.531 3.191 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)c1 ZINC001101024906 1364379846 /nfs/dbraw/zinc/37/98/46/1364379846.db2.gz LRLNBHBAQYGAJF-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001102104267 1364858839 /nfs/dbraw/zinc/85/88/39/1364858839.db2.gz NJGBJIFIRVHXAM-IEBWSBKVSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001185408712 1387706599 /nfs/dbraw/zinc/70/65/99/1387706599.db2.gz WVPLKRWUEBFILS-QFBILLFUSA-N 2 0 331.504 3.013 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357617 1365021035 /nfs/dbraw/zinc/02/10/35/1365021035.db2.gz CDWGPXTTXZHRJW-QRVBRYPASA-N 2 0 339.568 3.371 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CC)C[C@H]1C ZINC001102472341 1365074770 /nfs/dbraw/zinc/07/47/70/1365074770.db2.gz WTZOQDFOMAYKKH-IPMKNSEASA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083881 1365371714 /nfs/dbraw/zinc/37/17/14/1365371714.db2.gz NOQQTIRQLXNKLY-YZBXUTEPSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434947 1365558193 /nfs/dbraw/zinc/55/81/93/1365558193.db2.gz GEORBOGHEOGMEF-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444958 1365564290 /nfs/dbraw/zinc/56/42/90/1365564290.db2.gz RISFRHLXALOYCJ-QHSFFJGXSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001185682651 1387777143 /nfs/dbraw/zinc/77/71/43/1387777143.db2.gz SDMIFAYRKZYZEP-QUCCMNQESA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104290869 1365977859 /nfs/dbraw/zinc/97/78/59/1365977859.db2.gz GUMLUQZFMIOTJL-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C)cc2)C1 ZINC001324817220 1387782581 /nfs/dbraw/zinc/78/25/81/1387782581.db2.gz DTWIDTSZIHORJJ-OAQYLSRUSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104579870 1366085125 /nfs/dbraw/zinc/08/51/25/1366085125.db2.gz RJDRLJRLNZGECW-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1)C(C)C ZINC001104804015 1366180075 /nfs/dbraw/zinc/18/00/75/1366180075.db2.gz HTCPRMVBMFBAKJ-QRVBRYPASA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185763525 1387793175 /nfs/dbraw/zinc/79/31/75/1387793175.db2.gz SQAHNGPOMVDMRQ-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)CC(C)C)C1 ZINC001104874245 1366206157 /nfs/dbraw/zinc/20/61/57/1366206157.db2.gz QLLMNPDFLRRDBW-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001185770995 1387794355 /nfs/dbraw/zinc/79/43/55/1387794355.db2.gz IVKNZWSGHLYROW-SJORKVTESA-N 2 0 349.519 3.219 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001105066895 1366304322 /nfs/dbraw/zinc/30/43/22/1366304322.db2.gz FTQSGTUGQLCODM-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1CC[NH2+]CC1CCC1 ZINC001105097456 1366325839 /nfs/dbraw/zinc/32/58/39/1366325839.db2.gz QVPSELCHJCYTHI-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CC)CCC2)C1 ZINC001105556949 1366529729 /nfs/dbraw/zinc/52/97/29/1366529729.db2.gz TUTHJWDSHNLIGD-MOPGFXCFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105562140 1366531583 /nfs/dbraw/zinc/53/15/83/1366531583.db2.gz XGHWWXSWURDZLL-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001105570692 1366538121 /nfs/dbraw/zinc/53/81/21/1366538121.db2.gz XSCCPCCGYSCRJB-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105575265 1366540703 /nfs/dbraw/zinc/54/07/03/1366540703.db2.gz WUDXTMJEGSXFFM-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105576564 1366541103 /nfs/dbraw/zinc/54/11/03/1366541103.db2.gz HVXKQKRYWJZFIT-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577309 1366541289 /nfs/dbraw/zinc/54/12/89/1366541289.db2.gz UFHVLPZLUHRABI-RBUKOAKNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)CCC1 ZINC001105579038 1366542434 /nfs/dbraw/zinc/54/24/34/1366542434.db2.gz KFYQFJDQULWCNE-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106274579 1366640636 /nfs/dbraw/zinc/64/06/36/1366640636.db2.gz LPRLKJFRXIKSKJ-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1)[NH+](CC)CC ZINC001106660505 1366767985 /nfs/dbraw/zinc/76/79/85/1366767985.db2.gz PMXQFFIYUFGHSL-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036875 1366862656 /nfs/dbraw/zinc/86/26/56/1366862656.db2.gz UMXUFDFDJILULA-ODWICZQRSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2)[NH+](C)C ZINC001107450103 1366967894 /nfs/dbraw/zinc/96/78/94/1366967894.db2.gz CDTLWQROTAYSPH-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450854 1366968688 /nfs/dbraw/zinc/96/86/88/1366968688.db2.gz OGVQGLJLVDCOQM-QWFCFKBJSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189311831 1366985495 /nfs/dbraw/zinc/98/54/95/1366985495.db2.gz NIKVKGCJGDSJFY-ODNCXDDGSA-N 2 0 347.547 3.140 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598748 1367064781 /nfs/dbraw/zinc/06/47/81/1367064781.db2.gz VKAOKRKNZJFBBV-WKQNUPFUSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001107614450 1367074091 /nfs/dbraw/zinc/07/40/91/1367074091.db2.gz BQFPCHJCOGDZMM-TZIWHRDSSA-N 2 0 347.547 3.189 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001109371392 1367091180 /nfs/dbraw/zinc/09/11/80/1367091180.db2.gz BGFZIEBSKOJVBL-ZVFVRTEYSA-N 2 0 347.547 3.329 20 0 EGADRP CC1CCC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)CC1 ZINC001109403428 1367106335 /nfs/dbraw/zinc/10/63/35/1367106335.db2.gz GPUKBOSMDKAHLQ-GXZRBYELSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001109428025 1367116283 /nfs/dbraw/zinc/11/62/83/1367116283.db2.gz IVPSCZKIGZCJBU-FYQPLNBISA-N 2 0 349.563 3.265 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190179200 1367193667 /nfs/dbraw/zinc/19/36/67/1367193667.db2.gz ZRTXKMGQTIURHX-QGZVFWFLSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560846 1367198648 /nfs/dbraw/zinc/19/86/48/1367198648.db2.gz URDLVOLPYTZIOC-YRXWBPOGSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656938 1367320174 /nfs/dbraw/zinc/32/01/74/1367320174.db2.gz YDCILWQWCGIPJT-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001190777869 1367348602 /nfs/dbraw/zinc/34/86/02/1367348602.db2.gz XGAGMFRTCHFBEY-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879644 1367379281 /nfs/dbraw/zinc/37/92/81/1367379281.db2.gz FGGDKTJZJLGHCC-ZOYAEOFMSA-N 2 0 347.547 3.186 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190997177 1367399001 /nfs/dbraw/zinc/39/90/01/1367399001.db2.gz RTNICNDGIWUMOM-YJBOKZPZSA-N 2 0 349.494 3.150 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162218 1367436848 /nfs/dbraw/zinc/43/68/48/1367436848.db2.gz NAIWUUQHBGPZGM-OOFWQKGWSA-N 2 0 340.471 3.227 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001110020928 1367460925 /nfs/dbraw/zinc/46/09/25/1367460925.db2.gz OYNMVQCRQKMCKW-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114796 1367507961 /nfs/dbraw/zinc/50/79/61/1367507961.db2.gz HFUZBGUEXYECFR-QYZOEREBSA-N 2 0 335.536 3.164 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506602 1367515987 /nfs/dbraw/zinc/51/59/87/1367515987.db2.gz ADJRWOCUYGJWPT-XSXCZSQGSA-N 2 0 347.547 3.140 20 0 EGADRP CC1(C)CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)C1 ZINC001110153579 1367527730 /nfs/dbraw/zinc/52/77/30/1367527730.db2.gz BDNNVYZKOMRZCO-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110158221 1367530627 /nfs/dbraw/zinc/53/06/27/1367530627.db2.gz IBUMTCVBAOQFMO-WCIQWLHISA-N 2 0 343.515 3.199 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108804023 1367606296 /nfs/dbraw/zinc/60/62/96/1367606296.db2.gz JBAGBERUWXLRFN-NEPBSLMDSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001192038411 1367671544 /nfs/dbraw/zinc/67/15/44/1367671544.db2.gz PVVLXUUMYBGFTL-HXUWFJFHSA-N 2 0 345.531 3.185 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046677 1367674387 /nfs/dbraw/zinc/67/43/87/1367674387.db2.gz OKKKQTSSPPIYBU-LJQANCHMSA-N 2 0 345.531 3.185 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1)[NH+](CC)CC ZINC001192326883 1367753425 /nfs/dbraw/zinc/75/34/25/1367753425.db2.gz UOHZPVQDLWBHLQ-ZWKOTPCHSA-N 2 0 325.541 3.076 20 0 EGADRP C[NH+](CCC1=CCCCC1)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406133 1367775043 /nfs/dbraw/zinc/77/50/43/1367775043.db2.gz BLWYJDGGWQJHBW-LJQANCHMSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192672625 1367847346 /nfs/dbraw/zinc/84/73/46/1367847346.db2.gz WDERMLBRJXQNSQ-QZTJIDSGSA-N 2 0 337.552 3.218 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C(C)C ZINC001192916670 1367903732 /nfs/dbraw/zinc/90/37/32/1367903732.db2.gz BLGPQEBYDJTTSI-UXHICEINSA-N 2 0 345.531 3.086 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C(C)C)C1 ZINC001192969394 1367913522 /nfs/dbraw/zinc/91/35/22/1367913522.db2.gz JBVXWQCOEPKSDD-IBGZPJMESA-N 2 0 345.531 3.185 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193279987 1367987951 /nfs/dbraw/zinc/98/79/51/1367987951.db2.gz SDUURUBPXONGRI-OALUTQOASA-N 2 0 349.494 3.151 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424779 1368026570 /nfs/dbraw/zinc/02/65/70/1368026570.db2.gz PANSZXRUITVANR-WOJBJXKFSA-N 2 0 345.531 3.258 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424777 1368026694 /nfs/dbraw/zinc/02/66/94/1368026694.db2.gz PANSZXRUITVANR-UXHICEINSA-N 2 0 345.531 3.258 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862563 1368041601 /nfs/dbraw/zinc/04/16/01/1368041601.db2.gz WXIUAKOBBGXBGX-MLHJIOFPSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561495 1368062254 /nfs/dbraw/zinc/06/22/54/1368062254.db2.gz ZODXHFHCYHIHSL-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H](c1ccccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979807 1368131542 /nfs/dbraw/zinc/13/15/42/1368131542.db2.gz DVUZJMRSKZKEMV-DTDBQYNISA-N 2 0 349.906 3.074 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001111018360 1368143608 /nfs/dbraw/zinc/14/36/08/1368143608.db2.gz RWJLQSSSRKAHNN-WTGUMLROSA-N 2 0 347.547 3.329 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001111125803 1368161935 /nfs/dbraw/zinc/16/19/35/1368161935.db2.gz NDSLUUWPVIJMBK-FGSRJLNGSA-N 2 0 344.503 3.056 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001111169585 1368179949 /nfs/dbraw/zinc/17/99/49/1368179949.db2.gz ZTBFTYQPOPIREB-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227263 1368213295 /nfs/dbraw/zinc/21/32/95/1368213295.db2.gz IUGMPLWDDDNOJD-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245531 1368216470 /nfs/dbraw/zinc/21/64/70/1368216470.db2.gz BVNKFMFDJPZSQM-ZMBJWTFHSA-N 2 0 335.536 3.142 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274180 1368221506 /nfs/dbraw/zinc/22/15/06/1368221506.db2.gz DIIXCWIIPKGFMX-KJYWSYJISA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275722 1368223016 /nfs/dbraw/zinc/22/30/16/1368223016.db2.gz XMJAKSMETXHZGS-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296255 1368225878 /nfs/dbraw/zinc/22/58/78/1368225878.db2.gz YRACARQBAZDBCJ-RTBURBONSA-N 2 0 331.504 3.011 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430061 1368260408 /nfs/dbraw/zinc/26/04/08/1368260408.db2.gz RCVJKWDLBHIJSA-PXPVJAHISA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1cccc(C)c1 ZINC001111312576 1368263303 /nfs/dbraw/zinc/26/33/03/1368263303.db2.gz NYLPFNUJGNYRLL-AFYVEPGGSA-N 2 0 343.515 3.119 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454049 1368310531 /nfs/dbraw/zinc/31/05/31/1368310531.db2.gz ISYBUCGRJFFJCA-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111498468 1368321296 /nfs/dbraw/zinc/32/12/96/1368321296.db2.gz XLRYDYCGSZFRLO-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)C(C)C ZINC001186420084 1387938993 /nfs/dbraw/zinc/93/89/93/1387938993.db2.gz IOUQGGHAZVKBKZ-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001186421086 1387939033 /nfs/dbraw/zinc/93/90/33/1387939033.db2.gz XYKVOUPXFIOESU-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2)[NH+](C)C ZINC001111788604 1368462812 /nfs/dbraw/zinc/46/28/12/1368462812.db2.gz HXPNMKNGNORKFR-QKLQHJQFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195853083 1368504212 /nfs/dbraw/zinc/50/42/12/1368504212.db2.gz GSBPWNRKACDPIH-TZFVZSICSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865424 1368506086 /nfs/dbraw/zinc/50/60/86/1368506086.db2.gz KFEOIBMVVKQZTR-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868529 1368516053 /nfs/dbraw/zinc/51/60/53/1368516053.db2.gz BIQMLBBUHPLJHD-RKBUJLEISA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891284 1368536819 /nfs/dbraw/zinc/53/68/19/1368536819.db2.gz JQGHJEPASLGIIU-CFQKCQFKSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196060557 1368542416 /nfs/dbraw/zinc/54/24/16/1368542416.db2.gz ZNQWFOOBJWIHLO-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915338 1368555594 /nfs/dbraw/zinc/55/55/94/1368555594.db2.gz ZMHICNNOWYBJTK-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111939587 1368567781 /nfs/dbraw/zinc/56/77/81/1368567781.db2.gz IKNHLQYFNIISTB-WHGMVNQHSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CC(C)(C)C1)C2 ZINC001111951201 1368571257 /nfs/dbraw/zinc/57/12/57/1368571257.db2.gz XOKKXDUDOSESGF-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111988399 1368593703 /nfs/dbraw/zinc/59/37/03/1368593703.db2.gz FHXMNILTKVKFIR-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001196349805 1368595147 /nfs/dbraw/zinc/59/51/47/1368595147.db2.gz NOOYUAUSJRQPNY-SFHVURJKSA-N 2 0 345.531 3.321 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388482 1368604128 /nfs/dbraw/zinc/60/41/28/1368604128.db2.gz MUMGAJFRUFGAQV-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641349 1368654482 /nfs/dbraw/zinc/65/44/82/1368654482.db2.gz BPCWIBNWHFKHQT-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)CC[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196642028 1368654696 /nfs/dbraw/zinc/65/46/96/1368654696.db2.gz XLDJRKVFBXFFAQ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](Cc2cccc(C)c2)CC1)[NH+](CC)CC ZINC001197133526 1368751465 /nfs/dbraw/zinc/75/14/65/1368751465.db2.gz CBPDIWUSXNYZKD-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)CCn2ccnc2C(C)C)CC1 ZINC001197324068 1368787929 /nfs/dbraw/zinc/78/79/29/1368787929.db2.gz MFFICBWZBOQNPZ-UHFFFAOYSA-N 2 0 348.535 3.367 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1)[NH+](CC)CC ZINC001112528896 1368915137 /nfs/dbraw/zinc/91/51/37/1368915137.db2.gz VQNYTDCXWAKFNL-ZJOUEHCJSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001197908056 1368922717 /nfs/dbraw/zinc/92/27/17/1368922717.db2.gz RMPXMPMUSPLDII-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001112557808 1368926781 /nfs/dbraw/zinc/92/67/81/1368926781.db2.gz ZKSLLRAOQQRSHR-FPOVZHCZSA-N 2 0 347.547 3.047 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112567932 1368930489 /nfs/dbraw/zinc/93/04/89/1368930489.db2.gz PBQMABANTYIVJT-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585372 1368937834 /nfs/dbraw/zinc/93/78/34/1368937834.db2.gz UPKTWYAYEADKKR-ZJOUEHCJSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001112586221 1368938061 /nfs/dbraw/zinc/93/80/61/1368938061.db2.gz NUBWEHBRMLMOMI-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC001198033174 1368946626 /nfs/dbraw/zinc/94/66/26/1368946626.db2.gz AGBUHHFCHKGOCT-YLJYHZDGSA-N 2 0 344.499 3.446 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259821 1368991253 /nfs/dbraw/zinc/99/12/53/1368991253.db2.gz RKXGVIKEDMTQDU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198259050 1368992293 /nfs/dbraw/zinc/99/22/93/1368992293.db2.gz KEYIXQCRLKMDCZ-LJQANCHMSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364042 1369015659 /nfs/dbraw/zinc/01/56/59/1369015659.db2.gz LKXFXEMAQRAYOW-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC(C)(C)CCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001112855454 1369048924 /nfs/dbraw/zinc/04/89/24/1369048924.db2.gz WHVHLJLMVUTTQO-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596824 1387979059 /nfs/dbraw/zinc/97/90/59/1387979059.db2.gz AUICMBGHYDPDLN-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001325458223 1387979820 /nfs/dbraw/zinc/97/98/20/1387979820.db2.gz VKIRNSAGCQQLSK-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605556 1387983882 /nfs/dbraw/zinc/98/38/82/1387983882.db2.gz PQAACHCDNYPXFV-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001199722719 1369261224 /nfs/dbraw/zinc/26/12/24/1369261224.db2.gz WVFLAQCFCDKYPH-PXNSSMCTSA-N 2 0 332.532 3.209 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506630 1369382284 /nfs/dbraw/zinc/38/22/84/1369382284.db2.gz FXQTYPVPEIBFMY-IEBWSBKVSA-N 2 0 337.552 3.122 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](C[C@H](C)CC(C)C)CC1)C(C)C ZINC001113441565 1369431109 /nfs/dbraw/zinc/43/11/09/1369431109.db2.gz HKDRURHJEMACSK-RTBURBONSA-N 2 0 339.568 3.179 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201043864 1369470927 /nfs/dbraw/zinc/47/09/27/1369470927.db2.gz KPIAYMIZKRGDAM-IBGZPJMESA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113519886 1369474583 /nfs/dbraw/zinc/47/45/83/1369474583.db2.gz BVTLZVSFQVRKHT-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001201231004 1369500686 /nfs/dbraw/zinc/50/06/86/1369500686.db2.gz YTQNRWJJNGIROJ-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1)[NH+](C)C ZINC001201239695 1369502654 /nfs/dbraw/zinc/50/26/54/1369502654.db2.gz LRLBKCDNMYRLOH-GPVYEGESSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001201326758 1369520958 /nfs/dbraw/zinc/52/09/58/1369520958.db2.gz ATPLQFBKKMKDQM-KRWDZBQOSA-N 2 0 345.531 3.367 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201399082 1369536610 /nfs/dbraw/zinc/53/66/10/1369536610.db2.gz GQPPDTDNKVISKR-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP O=C(N1CCC([NH2+]CCCC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001201440662 1369546295 /nfs/dbraw/zinc/54/62/95/1369546295.db2.gz BAYIACWQWFBLQF-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001201528756 1369566936 /nfs/dbraw/zinc/56/69/36/1369566936.db2.gz ZIUPUIBMXYVVTI-UHFFFAOYSA-N 2 0 345.531 3.432 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cncc(C(C)(C)C)c3)cc[nH+]2)CC1 ZINC001201659154 1369597797 /nfs/dbraw/zinc/59/77/97/1369597797.db2.gz QRJBNBMRVWVDHG-UHFFFAOYSA-N 2 0 325.460 3.270 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001325625922 1388013955 /nfs/dbraw/zinc/01/39/55/1388013955.db2.gz NHWQRNXPPNLYAE-NSHDSACASA-N 2 0 326.366 3.183 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001202472603 1369782553 /nfs/dbraw/zinc/78/25/53/1369782553.db2.gz ALFLGIFCBYOZSH-PXNSSMCTSA-N 2 0 345.531 3.449 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1)[NH+](CC)CC ZINC001202473881 1369783078 /nfs/dbraw/zinc/78/30/78/1369783078.db2.gz QXVHESIRTWGMHJ-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCC[N@@H+](C[C@H]4CCOC4)C3)CC2)cc1 ZINC001202528761 1369800984 /nfs/dbraw/zinc/80/09/84/1369800984.db2.gz FMAJDVCUQVTKBT-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001186980690 1388034884 /nfs/dbraw/zinc/03/48/84/1388034884.db2.gz CMTSWIFSAYVUSH-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC1(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)COC1 ZINC001202937344 1369930863 /nfs/dbraw/zinc/93/08/63/1369930863.db2.gz XWNXNLWNYLARMA-UHFFFAOYSA-N 2 0 334.529 3.463 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC001202974533 1369943201 /nfs/dbraw/zinc/94/32/01/1369943201.db2.gz WULFKCADDXDCQJ-UHFFFAOYSA-N 2 0 345.531 3.279 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001202990922 1369947977 /nfs/dbraw/zinc/94/79/77/1369947977.db2.gz FVPOQXZRDLUDJU-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203103250 1369983956 /nfs/dbraw/zinc/98/39/56/1369983956.db2.gz KOKOAPFAIFSXLU-ZWKOTPCHSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC001203313478 1370078483 /nfs/dbraw/zinc/07/84/83/1370078483.db2.gz RKQUEYSLHPCHAG-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330775 1370084602 /nfs/dbraw/zinc/08/46/02/1370084602.db2.gz SFRIROBYOUHZHE-IBMJZYDUSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425626 1370120005 /nfs/dbraw/zinc/12/00/05/1370120005.db2.gz DBHQIZDQBNSHPM-HNGSOEQISA-N 2 0 349.563 3.338 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203507071 1370148443 /nfs/dbraw/zinc/14/84/43/1370148443.db2.gz NYXSBNOBIIYHGO-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203630474 1370193242 /nfs/dbraw/zinc/19/32/42/1370193242.db2.gz GWOFALXSSFHXHX-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632546 1370194535 /nfs/dbraw/zinc/19/45/35/1370194535.db2.gz ULSFPQQNSCGXHV-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203641216 1370198031 /nfs/dbraw/zinc/19/80/31/1370198031.db2.gz PMVUQKYQQZNMCO-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(CC)CC)C12CCC2 ZINC001203641772 1370198691 /nfs/dbraw/zinc/19/86/91/1370198691.db2.gz VDDJUUZGCZXEQT-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC001203739991 1370243954 /nfs/dbraw/zinc/24/39/54/1370243954.db2.gz NJIIQKGJBADCCC-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP COc1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc(OC)c1 ZINC001203859609 1370292037 /nfs/dbraw/zinc/29/20/37/1370292037.db2.gz SEEXIBDTNPKXJD-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(OC)cc1 ZINC001203957627 1370330365 /nfs/dbraw/zinc/33/03/65/1370330365.db2.gz KKICRWJDQKBZHU-UHFFFAOYSA-N 2 0 335.536 3.181 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC001204268101 1370426838 /nfs/dbraw/zinc/42/68/38/1370426838.db2.gz FUNGMDSGWONIKS-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP CC[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)Cc1cccnc1 ZINC001204268367 1370426915 /nfs/dbraw/zinc/42/69/15/1370426915.db2.gz ISOWMEYJUDNUHW-UHFFFAOYSA-N 2 0 327.472 3.434 20 0 EGADRP CCN(CC[NH+](CC)CC)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204269177 1370428008 /nfs/dbraw/zinc/42/80/08/1370428008.db2.gz VOCCFNCXSBVZMO-UHFFFAOYSA-N 2 0 335.536 3.181 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001187232137 1388077571 /nfs/dbraw/zinc/07/75/71/1388077571.db2.gz WABLBKDRCZYLER-VLUHHTHFSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115535257 1370532063 /nfs/dbraw/zinc/53/20/63/1370532063.db2.gz PCARQSZQHWBSLW-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001115537012 1370534434 /nfs/dbraw/zinc/53/44/34/1370534434.db2.gz RVVHCPRBZHKWRK-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540566 1370537276 /nfs/dbraw/zinc/53/72/76/1370537276.db2.gz SMAOQJXYKLHGJY-LLHWWHOWSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559737 1370559849 /nfs/dbraw/zinc/55/98/49/1370559849.db2.gz GEOJCAWQYKVWBU-IAGOWNOFSA-N 2 0 343.531 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115562564 1370562341 /nfs/dbraw/zinc/56/23/41/1370562341.db2.gz AAMYZQUGJIPUQY-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115563333 1370562657 /nfs/dbraw/zinc/56/26/57/1370562657.db2.gz RPTYGSAIDXEONW-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573120 1370575730 /nfs/dbraw/zinc/57/57/30/1370575730.db2.gz JDDHRTLCMMZPEP-QWNKOJSDSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1)[NH+](C)C ZINC001115582283 1370584148 /nfs/dbraw/zinc/58/41/48/1370584148.db2.gz TWHDLAYUYNFQPK-ABHNRTSZSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCCCC1)[NH+](C)C ZINC001115591707 1370592537 /nfs/dbraw/zinc/59/25/37/1370592537.db2.gz APJUJSSKBHAJKI-LJQANCHMSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1ccccc1N1CC[NH+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001204863187 1370592820 /nfs/dbraw/zinc/59/28/20/1370592820.db2.gz FUOMAEHSLCXTCN-UHFFFAOYSA-N 2 0 327.497 3.024 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598554 1370598660 /nfs/dbraw/zinc/59/86/60/1370598660.db2.gz SJWVAYZJLQWJFO-SHCNBLLESA-N 2 0 335.536 3.236 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115601538 1370601151 /nfs/dbraw/zinc/60/11/51/1370601151.db2.gz GBAKFPMNHDYCRD-UHFFFAOYSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)CCN(C)c2cc[nH+]cc2)CCCCC1 ZINC001115606594 1370605627 /nfs/dbraw/zinc/60/56/27/1370605627.db2.gz JJCOERWSGDQYPR-UHFFFAOYSA-N 2 0 346.519 3.117 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611530 1370610486 /nfs/dbraw/zinc/61/04/86/1370610486.db2.gz MBNDRGIYMPUTPA-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2nc3ccccc3cc2Br)CC1 ZINC001205053581 1370638395 /nfs/dbraw/zinc/63/83/95/1370638395.db2.gz PLHFTJBUGNHKQS-UHFFFAOYSA-N 2 0 334.261 3.168 20 0 EGADRP COc1ccc(N(C)c2ccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205135928 1370660642 /nfs/dbraw/zinc/66/06/42/1370660642.db2.gz HKZUUGDGVSQWAX-FUHWJXTLSA-N 2 0 339.483 3.490 20 0 EGADRP COc1ccc(OCc2ccccc2)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205145778 1370662668 /nfs/dbraw/zinc/66/26/68/1370662668.db2.gz GKLAWZWVKPSRNQ-QFBILLFUSA-N 2 0 340.467 3.301 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697737 1370679328 /nfs/dbraw/zinc/67/93/28/1370679328.db2.gz JXFLWYMYCFNBRX-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115698162 1370679224 /nfs/dbraw/zinc/67/92/24/1370679224.db2.gz RRQZKXZOOBPEOA-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)CC1 ZINC001115708297 1370687454 /nfs/dbraw/zinc/68/74/54/1370687454.db2.gz YYNQRPGVLROGDV-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)CC1 ZINC001115708293 1370687694 /nfs/dbraw/zinc/68/76/94/1370687694.db2.gz YQCIXQFDHSNGSV-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715462 1370694762 /nfs/dbraw/zinc/69/47/62/1370694762.db2.gz JWHFPSHHJYWUSI-LKGOPFMKSA-N 2 0 337.552 3.338 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1)[NH+](CC)CC ZINC001115726511 1370707145 /nfs/dbraw/zinc/70/71/45/1370707145.db2.gz GOWIIRGRDIWBSK-DLBZAZTESA-N 2 0 343.531 3.264 20 0 EGADRP CC(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205296480 1370710731 /nfs/dbraw/zinc/71/07/31/1370710731.db2.gz APKOFQMKIILCDU-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C[C@@H]1C[NH3+] ZINC001205303975 1370713702 /nfs/dbraw/zinc/71/37/02/1370713702.db2.gz MAZNXFOTWHLVCH-YPMHNXCESA-N 2 0 336.277 3.347 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115730895 1370713866 /nfs/dbraw/zinc/71/38/66/1370713866.db2.gz UEXXENJCFMMBGH-DLBZAZTESA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C[C@@H]1C[NH3+] ZINC001205314361 1370718814 /nfs/dbraw/zinc/71/88/14/1370718814.db2.gz BBYFETSPFDITAK-ZFWWWQNUSA-N 2 0 331.410 3.444 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115760965 1370745158 /nfs/dbraw/zinc/74/51/58/1370745158.db2.gz ZXDSLAUNDGSDFU-GOSISDBHSA-N 2 0 337.552 3.458 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760934 1370745270 /nfs/dbraw/zinc/74/52/70/1370745270.db2.gz YFEDPPHJRFWLNE-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205410712 1370747668 /nfs/dbraw/zinc/74/76/68/1370747668.db2.gz YRDWRYHPCJPXHR-UHFFFAOYSA-N 2 0 349.544 3.052 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462182 1370763598 /nfs/dbraw/zinc/76/35/98/1370763598.db2.gz UURURBZLEYTSDQ-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CCn1cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001205527889 1370782534 /nfs/dbraw/zinc/78/25/34/1370782534.db2.gz CRJUJBXQONVHBT-IBGZPJMESA-N 2 0 342.487 3.373 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001115806205 1370789744 /nfs/dbraw/zinc/78/97/44/1370789744.db2.gz PUJSTKDDZQJUIW-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP c1cc(-c2ccc(N3CC[NH2+]CC3)cc2)cc2c1CCC21CC[NH2+]CC1 ZINC001205557862 1370791353 /nfs/dbraw/zinc/79/13/53/1370791353.db2.gz DJPKQLHNRUAVOB-UHFFFAOYSA-N 2 0 347.506 3.331 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570371 1370795375 /nfs/dbraw/zinc/79/53/75/1370795375.db2.gz JFMANBXOOJHYPN-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205598870 1370805217 /nfs/dbraw/zinc/80/52/17/1370805217.db2.gz IFIPITIDZLHKKW-UHFFFAOYSA-N 2 0 328.504 3.017 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC[C@H]1C[NH3+] ZINC001205638731 1370823221 /nfs/dbraw/zinc/82/32/21/1370823221.db2.gz RJIOKMYAZANBQL-STQMWFEESA-N 2 0 334.414 3.162 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205653357 1370828525 /nfs/dbraw/zinc/82/85/25/1370828525.db2.gz SWFAXTVRVSPZBK-NEPJUHHUSA-N 2 0 332.366 3.098 20 0 EGADRP CCOC(=O)N1CCC(C)(C[N@H+](CC)CCC[NH+]2CCCC2)CC1 ZINC001205693227 1370844091 /nfs/dbraw/zinc/84/40/91/1370844091.db2.gz RPXSLURNOYTBQZ-UHFFFAOYSA-N 2 0 339.524 3.053 20 0 EGADRP COC(=O)CCCCCCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205735896 1370855601 /nfs/dbraw/zinc/85/56/01/1370855601.db2.gz RDNBFACSYHJYDM-OAHLLOKOSA-N 2 0 334.451 3.196 20 0 EGADRP Cc1cc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205777919 1370866403 /nfs/dbraw/zinc/86/64/03/1370866403.db2.gz DIOVDGLVCIFAJB-LBPRGKRZSA-N 2 0 338.320 3.310 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205902112 1370905179 /nfs/dbraw/zinc/90/51/79/1370905179.db2.gz IDACFCJHSPMMJF-LPHOPBHVSA-N 2 0 326.488 3.107 20 0 EGADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205917442 1370910566 /nfs/dbraw/zinc/91/05/66/1370910566.db2.gz YPZDVCRCVKCXHN-WCQYABFASA-N 2 0 334.357 3.483 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2CC3(CC3)CC2=O)CC1)CC(C)C ZINC001326026015 1388102630 /nfs/dbraw/zinc/10/26/30/1388102630.db2.gz YGJCPEZBHHOZHK-UHFFFAOYSA-N 2 0 335.536 3.036 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC)cc1Cl ZINC001206013549 1370937647 /nfs/dbraw/zinc/93/76/47/1370937647.db2.gz SBPNWOGFEUZNSX-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC(F)(F)F)c1 ZINC001206013987 1370939450 /nfs/dbraw/zinc/93/94/50/1370939450.db2.gz UQAISESYAAVQMJ-QWHCGFSZSA-N 2 0 346.393 3.401 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1O ZINC001206021596 1370939715 /nfs/dbraw/zinc/93/97/15/1370939715.db2.gz AJRVUNDXJZVOPB-OLZOCXBDSA-N 2 0 341.293 3.270 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Br ZINC001206025546 1370942406 /nfs/dbraw/zinc/94/24/06/1370942406.db2.gz OBXBDALFOSLRFF-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]([NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1F ZINC001206074700 1370954575 /nfs/dbraw/zinc/95/45/75/1370954575.db2.gz TXZKKMYWMAFKTP-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206211299 1370994063 /nfs/dbraw/zinc/99/40/63/1370994063.db2.gz NBURDAGLGQNPTR-RTBURBONSA-N 2 0 329.419 3.018 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001206246035 1371003370 /nfs/dbraw/zinc/00/33/70/1371003370.db2.gz PGMVHAJARGXNIH-ZBTAVZRMSA-N 2 0 337.552 3.291 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC001117112677 1371012292 /nfs/dbraw/zinc/01/22/92/1371012292.db2.gz NWNOZLOOBRNIJR-NVXWUHKLSA-N 2 0 334.504 3.265 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305084 1371016584 /nfs/dbraw/zinc/01/65/84/1371016584.db2.gz SOTGVAJNCLHBII-OAQYLSRUSA-N 2 0 340.515 3.499 20 0 EGADRP CC(C)(C)C(=O)Nc1cnccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304764 1371016667 /nfs/dbraw/zinc/01/66/67/1371016667.db2.gz PLGWZSVGYFRNAI-LJQANCHMSA-N 2 0 332.492 3.017 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC1 ZINC001206334931 1371025570 /nfs/dbraw/zinc/02/55/70/1371025570.db2.gz AYIBJPCUSWIBHX-OAHLLOKOSA-N 2 0 342.274 3.167 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481373 1371067755 /nfs/dbraw/zinc/06/77/55/1371067755.db2.gz GUBALXZAESFHHY-KKHYBRAUSA-N 2 0 349.563 3.434 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccn1C1CC1 ZINC001117744792 1371073463 /nfs/dbraw/zinc/07/34/63/1371073463.db2.gz XDJAGFNHUZNJRJ-OAQYLSRUSA-N 2 0 339.483 3.070 20 0 EGADRP C[C@]1(C[NH3+])CCCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001206540137 1371087807 /nfs/dbraw/zinc/08/78/07/1371087807.db2.gz AMCUNDJFUUSYQR-NHCUHLMSSA-N 2 0 329.532 3.492 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC([NH+](CC)CC)CC2)c1 ZINC001118021644 1371122755 /nfs/dbraw/zinc/12/27/55/1371122755.db2.gz NJLGGKCVFLERND-UHFFFAOYSA-N 2 0 332.492 3.134 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001206872866 1371198777 /nfs/dbraw/zinc/19/87/77/1371198777.db2.gz WMZJRBICGJMWRO-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001206928606 1371229855 /nfs/dbraw/zinc/22/98/55/1371229855.db2.gz BNDFYOMMTWFJJG-HXUWFJFHSA-N 2 0 343.515 3.062 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951286 1371243159 /nfs/dbraw/zinc/24/31/59/1371243159.db2.gz IZFBSVNTZCPOAI-SNAWJCMRSA-N 2 0 349.563 3.437 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001118868997 1371243288 /nfs/dbraw/zinc/24/32/88/1371243288.db2.gz WZXQZTSPWLFBLS-UHFFFAOYSA-N 2 0 325.456 3.234 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001206965743 1371250400 /nfs/dbraw/zinc/25/04/00/1371250400.db2.gz NLBOXSKFYDSIHX-UHFFFAOYSA-N 2 0 349.519 3.363 20 0 EGADRP O=c1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001207072543 1371286090 /nfs/dbraw/zinc/28/60/90/1371286090.db2.gz JFERWLGTHPJKOQ-RBUKOAKNSA-N 2 0 337.467 3.131 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc[nH]c(=O)c1)CC2 ZINC001207119506 1371299229 /nfs/dbraw/zinc/29/92/29/1371299229.db2.gz DNHHARZKXCXFKI-GOSISDBHSA-N 2 0 341.455 3.257 20 0 EGADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001119326647 1371312381 /nfs/dbraw/zinc/31/23/81/1371312381.db2.gz ABSHUSMKIQAXOL-NWDGAFQWSA-N 2 0 343.393 3.223 20 0 EGADRP C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207274756 1371347242 /nfs/dbraw/zinc/34/72/42/1371347242.db2.gz GCZDDAXLVJFMJD-CVEARBPZSA-N 2 0 341.540 3.199 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH+]3CCN(C4CCC4)CC3)CC2)cc1 ZINC001207286748 1371351334 /nfs/dbraw/zinc/35/13/34/1371351334.db2.gz LNTGAROQKIJVAI-UHFFFAOYSA-N 2 0 327.516 3.069 20 0 EGADRP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207293186 1371353088 /nfs/dbraw/zinc/35/30/88/1371353088.db2.gz DWVHBKPBEPGIPW-PXNSSMCTSA-N 2 0 346.515 3.418 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC001326201908 1388127049 /nfs/dbraw/zinc/12/70/49/1388127049.db2.gz LQTWHLPHPIIPJO-PMACEKPBSA-N 2 0 338.499 3.299 20 0 EGADRP CC[N@H+](CC1CC[NH+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207398321 1371383781 /nfs/dbraw/zinc/38/37/81/1371383781.db2.gz HRMYQWJKTCUEFA-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001207398245 1371383909 /nfs/dbraw/zinc/38/39/09/1371383909.db2.gz BRMSPOOPXBKVTM-OTWHNJEPSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207399951 1371385228 /nfs/dbraw/zinc/38/52/28/1371385228.db2.gz ZJNFYCCCQPIHQY-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP c1ccc2c(c1)[C@@H]1C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]1[C@H]2OCC1CC1 ZINC001207437349 1371394970 /nfs/dbraw/zinc/39/49/70/1371394970.db2.gz UZVSUGGTNUDYGL-ACRUOGEOSA-N 2 0 326.484 3.183 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCC4CC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001207482520 1371409467 /nfs/dbraw/zinc/40/94/67/1371409467.db2.gz MWQWXPMLJSQYDR-FGZHOGPDSA-N 2 0 341.543 3.091 20 0 EGADRP CC(=O)C1(c2ccccc2)CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207483041 1371409793 /nfs/dbraw/zinc/40/97/93/1371409793.db2.gz CFPVYPHCGTYFJG-UHFFFAOYSA-N 2 0 328.500 3.341 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541071 1371430793 /nfs/dbraw/zinc/43/07/93/1371430793.db2.gz RSXJWUXTFDSMFD-ZRAQOITDSA-N 2 0 335.536 3.042 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCCCC1 ZINC001119993619 1371445854 /nfs/dbraw/zinc/44/58/54/1371445854.db2.gz ORUKQBYPBJGGCG-LJQANCHMSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001120005338 1371451383 /nfs/dbraw/zinc/45/13/83/1371451383.db2.gz NPQHMOLDBUASKJ-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010676 1371454238 /nfs/dbraw/zinc/45/42/38/1371454238.db2.gz UHTUTIKUWXCXRQ-PYTPGESOSA-N 2 0 335.536 3.093 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001207750270 1371493371 /nfs/dbraw/zinc/49/33/71/1371493371.db2.gz OAPUFRXIGREYQV-RVKKMQEKSA-N 2 0 349.494 3.054 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120141028 1371494096 /nfs/dbraw/zinc/49/40/96/1371494096.db2.gz QFKYUKLHUUYGPQ-PLNGDYQASA-N 2 0 335.536 3.237 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001207757597 1371495651 /nfs/dbraw/zinc/49/56/51/1371495651.db2.gz HCIAGRPGGZVGCD-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001207757985 1371495823 /nfs/dbraw/zinc/49/58/23/1371495823.db2.gz QVGHKVCNKOIXCS-SJLPKXTDSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001120208045 1371505021 /nfs/dbraw/zinc/50/50/21/1371505021.db2.gz RVAKIEBGWOHHHD-UHFFFAOYSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208426 1371505383 /nfs/dbraw/zinc/50/53/83/1371505383.db2.gz ZFMCUVQEPUXHBG-IRXDYDNUSA-N 2 0 341.515 3.018 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001120431611 1371575395 /nfs/dbraw/zinc/57/53/95/1371575395.db2.gz UYMOXEQAOYSXDL-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001120432295 1371575634 /nfs/dbraw/zinc/57/56/34/1371575634.db2.gz ZPQUYPSEKNJZBV-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073412 1371588003 /nfs/dbraw/zinc/58/80/03/1371588003.db2.gz BGQFRDXQRWYTBU-JJRFVKOUSA-N 2 0 347.547 3.044 20 0 EGADRP C[N@H+](CCCn1cccn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001208079444 1371590067 /nfs/dbraw/zinc/59/00/67/1371590067.db2.gz TVOXWRUXGZQSHF-UHFFFAOYSA-N 2 0 326.488 3.117 20 0 EGADRP CC[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001208114449 1371599242 /nfs/dbraw/zinc/59/92/42/1371599242.db2.gz XKYIILCIIVESFJ-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001208129477 1371603890 /nfs/dbraw/zinc/60/38/90/1371603890.db2.gz WLESYFMHAOJEBF-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)CCCC1 ZINC001208191831 1371630168 /nfs/dbraw/zinc/63/01/68/1371630168.db2.gz QCALDNTWOFWTIT-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Fc1cccc(CC[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001208196634 1371635969 /nfs/dbraw/zinc/63/59/69/1371635969.db2.gz XAZVQXZNLIYGKF-UHFFFAOYSA-N 2 0 334.479 3.193 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001208446926 1371769045 /nfs/dbraw/zinc/76/90/45/1371769045.db2.gz DDXOWLAUVMUQKN-YJBOKZPZSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208474469 1371781390 /nfs/dbraw/zinc/78/13/90/1371781390.db2.gz LSSDINOXQJDXNQ-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208497969 1371787349 /nfs/dbraw/zinc/78/73/49/1371787349.db2.gz KSZLNGLKOWDQDT-QGZVFWFLSA-N 2 0 328.460 3.109 20 0 EGADRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001208588918 1371829623 /nfs/dbraw/zinc/82/96/23/1371829623.db2.gz MXYOKCLZDZDZOC-HBMCJLEFSA-N 2 0 327.516 3.067 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)CC1 ZINC001208592447 1371831003 /nfs/dbraw/zinc/83/10/03/1371831003.db2.gz IIAAELRIOFGNJV-UHFFFAOYSA-N 2 0 344.474 3.478 20 0 EGADRP C[NH+]1CC2(C1)CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC001208592346 1371831031 /nfs/dbraw/zinc/83/10/31/1371831031.db2.gz SWNUKOJLTGIRER-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001208593181 1371832786 /nfs/dbraw/zinc/83/27/86/1371832786.db2.gz PKETXRBBOPHURD-UHFFFAOYSA-N 2 0 329.532 3.315 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001208602093 1371836021 /nfs/dbraw/zinc/83/60/21/1371836021.db2.gz YAJZXVFGSCMTFP-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001208602750 1371836677 /nfs/dbraw/zinc/83/66/77/1371836677.db2.gz MCKTVGJKODHEJO-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)C[C@@H]1CCC[NH+](C)C1 ZINC001208607305 1371838841 /nfs/dbraw/zinc/83/88/41/1371838841.db2.gz LJSPOJFQJXGKOT-CEWLAPEOSA-N 2 0 329.532 3.171 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208615657 1371841623 /nfs/dbraw/zinc/84/16/23/1371841623.db2.gz IMCMIYQCNVHINT-YSIASYRMSA-N 2 0 344.499 3.140 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208615651 1371841887 /nfs/dbraw/zinc/84/18/87/1371841887.db2.gz IMCMIYQCNVHINT-MISYRCLQSA-N 2 0 344.499 3.140 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842807 /nfs/dbraw/zinc/84/28/07/1371842807.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 2 0 341.543 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001121133550 1371862284 /nfs/dbraw/zinc/86/22/84/1371862284.db2.gz CFARULPFFIFDLX-QSEKNOCQSA-N 2 0 349.563 3.026 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001121133666 1371862600 /nfs/dbraw/zinc/86/26/00/1371862600.db2.gz HCHYBQZFHIZZQQ-NDPQDOTCSA-N 2 0 347.547 3.090 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208748488 1371882649 /nfs/dbraw/zinc/88/26/49/1371882649.db2.gz JRJYRANXNHDAEN-UHDDOPSISA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208749315 1371883956 /nfs/dbraw/zinc/88/39/56/1371883956.db2.gz QDSHNGOFBQXERR-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001208868376 1371925935 /nfs/dbraw/zinc/92/59/35/1371925935.db2.gz BARIGIYFYPEJRW-UHFFFAOYSA-N 2 0 344.499 3.214 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208878459 1371930084 /nfs/dbraw/zinc/93/00/84/1371930084.db2.gz HQAJVYAZJNMFRX-HKUYNNGSSA-N 2 0 346.471 3.028 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2 ZINC001121326326 1371937749 /nfs/dbraw/zinc/93/77/49/1371937749.db2.gz YEIJQQBUEWXWFJ-UHFFFAOYSA-N 2 0 347.547 3.234 20 0 EGADRP O[C@@]1(CF)CCCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931253 1371950623 /nfs/dbraw/zinc/95/06/23/1371950623.db2.gz IPTKQWIKIONRDC-WOJBJXKFSA-N 2 0 334.479 3.085 20 0 EGADRP c1cn(C2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC001208940508 1371953131 /nfs/dbraw/zinc/95/31/31/1371953131.db2.gz SNHJRPUYMJWILW-HXUWFJFHSA-N 2 0 338.499 3.432 20 0 EGADRP Cc1noc([C@@H]2CC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208940473 1371953140 /nfs/dbraw/zinc/95/31/40/1371953140.db2.gz RZYBYPXKXQQCOY-RBUKOAKNSA-N 2 0 340.471 3.080 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940491 1371953732 /nfs/dbraw/zinc/95/37/32/1371953732.db2.gz SIGITJFUWSRHDY-RTWAWAEBSA-N 2 0 329.532 3.315 20 0 EGADRP c1cn(C2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC001208940507 1371954558 /nfs/dbraw/zinc/95/45/58/1371954558.db2.gz SNHJRPUYMJWILW-FQEVSTJZSA-N 2 0 338.499 3.432 20 0 EGADRP COC(=O)CC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940694 1371956241 /nfs/dbraw/zinc/95/62/41/1371956241.db2.gz VMTJFFXVTZABOW-WOJBJXKFSA-N 2 0 344.499 3.174 20 0 EGADRP CCOC(=O)C[C@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943223 1371957286 /nfs/dbraw/zinc/95/72/86/1371957286.db2.gz SCYAFGDSNXAORB-UXHICEINSA-N 2 0 344.499 3.174 20 0 EGADRP CO[C@H]1CCC[C@@H]2C[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953298 1371961054 /nfs/dbraw/zinc/96/10/54/1371961054.db2.gz ZWPQPBQULSJTKC-WOZUAGRISA-N 2 0 328.500 3.255 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CCCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950288 1371961241 /nfs/dbraw/zinc/96/12/41/1371961241.db2.gz RLBKPFFSURCFOV-VXKWHMMOSA-N 2 0 341.543 3.459 20 0 EGADRP CO[C@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953295 1371961463 /nfs/dbraw/zinc/96/14/63/1371961463.db2.gz ZWPQPBQULSJTKC-CGXNFDGLSA-N 2 0 328.500 3.255 20 0 EGADRP Cn1ccc(C2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208960065 1371963107 /nfs/dbraw/zinc/96/31/07/1371963107.db2.gz TYIGAQGVXSAWGJ-LJQANCHMSA-N 2 0 338.499 3.122 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121663986 1372039385 /nfs/dbraw/zinc/03/93/85/1372039385.db2.gz WRSPJELJDAGOFQ-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209414385 1372100051 /nfs/dbraw/zinc/10/00/51/1372100051.db2.gz LVQOJIFOTUWLTQ-RCOXNQKVSA-N 2 0 332.532 3.103 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1CCC[NH+]1CCCCC1 ZINC001209447746 1372108616 /nfs/dbraw/zinc/10/86/16/1372108616.db2.gz FTSCUYVWDRKDTF-QGZVFWFLSA-N 2 0 339.524 3.194 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(CC[NH3+])cc1)c1ccsc1 ZINC001121904337 1372119254 /nfs/dbraw/zinc/11/92/54/1372119254.db2.gz YNKPRLCCOUFATD-SFHVURJKSA-N 2 0 345.512 3.062 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001209615964 1372152539 /nfs/dbraw/zinc/15/25/39/1372152539.db2.gz XTOXFJJJXANEHT-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209650246 1372161772 /nfs/dbraw/zinc/16/17/72/1372161772.db2.gz FXDJCHXYWWLWBQ-HXUWFJFHSA-N 2 0 345.531 3.175 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209691815 1372171430 /nfs/dbraw/zinc/17/14/30/1372171430.db2.gz YVGQVORHRPNIPK-GFOMBABLSA-N 2 0 337.552 3.291 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cnccn3)C[C@H]21 ZINC001209780773 1372195420 /nfs/dbraw/zinc/19/54/20/1372195420.db2.gz DLRPNNNQXPWPQN-KFKAGJAMSA-N 2 0 342.512 3.271 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001122231769 1372207701 /nfs/dbraw/zinc/20/77/01/1372207701.db2.gz WXOAUQRRZYSQGY-YQTQZHKRSA-N 2 0 349.563 3.312 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122248480 1372211746 /nfs/dbraw/zinc/21/17/46/1372211746.db2.gz ITDLUBUXPKPEHI-CGAYHSHTSA-N 2 0 349.563 3.170 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)[C@H]([NH3+])c2ccccc2)c1 ZINC001122344657 1372232732 /nfs/dbraw/zinc/23/27/32/1372232732.db2.gz KWVMWQBFIWBHAB-LJQANCHMSA-N 2 0 341.455 3.046 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001209939722 1372237996 /nfs/dbraw/zinc/23/79/96/1372237996.db2.gz GQCYEJCPBBRBOM-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209950662 1372239492 /nfs/dbraw/zinc/23/94/92/1372239492.db2.gz GMRCOOUAISONPP-RTBURBONSA-N 2 0 337.552 3.410 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001210183039 1372289755 /nfs/dbraw/zinc/28/97/55/1372289755.db2.gz KGOHXVQNSSZNAG-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)COc1c(F)cccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271283 1372311640 /nfs/dbraw/zinc/31/16/40/1372311640.db2.gz LFEAMAIPODYROQ-UHFFFAOYSA-N 2 0 344.434 3.409 20 0 EGADRP CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210642709 1372398133 /nfs/dbraw/zinc/39/81/33/1372398133.db2.gz GKPITVAKBLZYLC-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210642708 1372398175 /nfs/dbraw/zinc/39/81/75/1372398175.db2.gz GKPITVAKBLZYLC-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001210744597 1372417683 /nfs/dbraw/zinc/41/76/83/1372417683.db2.gz SCTORMIGIIRTOQ-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001211125904 1372488224 /nfs/dbraw/zinc/48/82/24/1372488224.db2.gz KRAQHLNSOJZTIE-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001211147219 1372490427 /nfs/dbraw/zinc/49/04/27/1372490427.db2.gz PCULZYZOXKNUAZ-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001211240530 1372509553 /nfs/dbraw/zinc/50/95/53/1372509553.db2.gz MDLRQGAGPZELPA-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001211240752 1372509776 /nfs/dbraw/zinc/50/97/76/1372509776.db2.gz PGUSODAHACUEMX-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262292 1372515297 /nfs/dbraw/zinc/51/52/97/1372515297.db2.gz NKNAFMMEXWEWHD-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262294 1372515328 /nfs/dbraw/zinc/51/53/28/1372515328.db2.gz NKNAFMMEXWEWHD-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2c(Cl)ccc(O)c2F)CC1 ZINC001214558481 1373079472 /nfs/dbraw/zinc/07/94/72/1373079472.db2.gz XNIJSIBUZIAZCI-UHFFFAOYSA-N 2 0 336.798 3.075 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636259 1373093575 /nfs/dbraw/zinc/09/35/75/1373093575.db2.gz GIYRQHYIWOPQIT-WSTZPKSXSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845338 1373128700 /nfs/dbraw/zinc/12/87/00/1373128700.db2.gz OOQHKOVOLLYAFZ-ODWICZQRSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855884 1373130309 /nfs/dbraw/zinc/13/03/09/1373130309.db2.gz QLNLQOXGTJTVKP-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188140156 1388247784 /nfs/dbraw/zinc/24/77/84/1388247784.db2.gz ZCGXCTUWDINPJU-CQQBRXBZSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188140154 1388248390 /nfs/dbraw/zinc/24/83/90/1388248390.db2.gz ZCGXCTUWDINPJU-ASIGSXEYSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1F ZINC001216222865 1373284660 /nfs/dbraw/zinc/28/46/60/1373284660.db2.gz YWWCQGIFYROFMC-UHFFFAOYSA-N 2 0 342.462 3.036 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001216772503 1373341417 /nfs/dbraw/zinc/34/14/17/1373341417.db2.gz DQAOKKRDLAXVEI-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001216838666 1373349402 /nfs/dbraw/zinc/34/94/02/1373349402.db2.gz AFJBKIWUBZYNHU-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cncc(-c2noc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)n2)c1 ZINC001217044424 1373381849 /nfs/dbraw/zinc/38/18/49/1373381849.db2.gz LPIUFLWXBFIRBL-UHFFFAOYSA-N 2 0 349.438 3.030 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001129423053 1373382576 /nfs/dbraw/zinc/38/25/76/1373382576.db2.gz OTYJDDNGOFMBHO-RBUKOAKNSA-N 2 0 349.494 3.246 20 0 EGADRP CC1(C)CCC(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001129430744 1373383082 /nfs/dbraw/zinc/38/30/82/1373383082.db2.gz XACIRWVKAGWNQY-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001217701671 1373491097 /nfs/dbraw/zinc/49/10/97/1373491097.db2.gz FJGSIUNSRZABMC-LBPRGKRZSA-N 2 0 328.338 3.145 20 0 EGADRP c1cc(OCC[NH+]2CCCCCC2)ccc1CO[C@@H]1CCC12C[NH2+]C2 ZINC001217850414 1373507094 /nfs/dbraw/zinc/50/70/94/1373507094.db2.gz RWFDBWQMBXQPQR-HXUWFJFHSA-N 2 0 344.499 3.210 20 0 EGADRP c1cc(OCC[NH+]2CCCCCC2)ccc1CO[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925004 1373512353 /nfs/dbraw/zinc/51/23/53/1373512353.db2.gz OBKAOURLTDYFLX-NRSPTQNISA-N 2 0 344.499 3.208 20 0 EGADRP c1ccc2c(c1)ccc(O[C@@H]1C[NH2+]CCOC1)c2C[NH+]1CCCCC1 ZINC001218042643 1373546419 /nfs/dbraw/zinc/54/64/19/1373546419.db2.gz SBJFKHZOBWSFRV-GOSISDBHSA-N 2 0 340.467 3.193 20 0 EGADRP CCC[NH+](CCC)[C@H]1CCc2cccc(OC[C@H]3C[NH2+]CCO3)c2C1 ZINC001218179581 1373573500 /nfs/dbraw/zinc/57/35/00/1373573500.db2.gz YSEYUVNBGRAGHA-RBUKOAKNSA-N 2 0 346.515 3.033 20 0 EGADRP C[NH+](C)CC[C@H](Oc1cccc(N2CC[NH2+]CC2)c1)c1ccccc1 ZINC001218303656 1373591934 /nfs/dbraw/zinc/59/19/34/1373591934.db2.gz AIJPACZWLRKUFA-NRFANRHFSA-N 2 0 339.483 3.168 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cccc(C[NH3+])c2)O1 ZINC001218392721 1373605891 /nfs/dbraw/zinc/60/58/91/1373605891.db2.gz LBHSNBVTVNGIOZ-HXUWFJFHSA-N 2 0 340.467 3.204 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccc(C[NH3+])cc2)O1 ZINC001218394667 1373606489 /nfs/dbraw/zinc/60/64/89/1373606489.db2.gz SCKAMQGCOUMABS-HXUWFJFHSA-N 2 0 340.467 3.204 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cc2)CC1 ZINC001218822404 1373658103 /nfs/dbraw/zinc/65/81/03/1373658103.db2.gz LAHOSBKWGUZXFL-OAQYLSRUSA-N 2 0 349.478 3.149 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188245795 1388274613 /nfs/dbraw/zinc/27/46/13/1388274613.db2.gz AXHCZCXAMRNEQS-PTWHKANQSA-N 2 0 347.547 3.140 20 0 EGADRP [NH3+][C@@H](CCCc1ccccc1)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218996936 1373676560 /nfs/dbraw/zinc/67/65/60/1373676560.db2.gz QDLBWCGJHOVMJK-ICSRJNTNSA-N 2 0 337.467 3.052 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001221374193 1373771269 /nfs/dbraw/zinc/77/12/69/1373771269.db2.gz ACVJMICJNJGJBK-ROUUACIJSA-N 2 0 331.504 3.141 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773731 1373792284 /nfs/dbraw/zinc/79/22/84/1373792284.db2.gz BKJZGHSOZWNCRQ-VAMGGRTRSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001221962400 1373809026 /nfs/dbraw/zinc/80/90/26/1373809026.db2.gz BCWMEYSSYANPLW-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001131822333 1373823852 /nfs/dbraw/zinc/82/38/52/1373823852.db2.gz NIEOSYNNLJPXLE-KRWDZBQOSA-N 2 0 331.504 3.108 20 0 EGADRP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390202 1373833561 /nfs/dbraw/zinc/83/35/61/1373833561.db2.gz MUWWYHSQUQGVLR-LJQANCHMSA-N 2 0 348.560 3.027 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001326736242 1388294933 /nfs/dbraw/zinc/29/49/33/1388294933.db2.gz KRQPUDFWSFOAGU-PKOBYXMFSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001326898268 1388342903 /nfs/dbraw/zinc/34/29/03/1388342903.db2.gz GGFINTBNDDFDAP-LJQANCHMSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@H+](CCC3CCCC3)[C@H]2C1 ZINC001223954797 1375048774 /nfs/dbraw/zinc/04/87/74/1375048774.db2.gz DDEFCZMLMXTXKV-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224796187 1375076970 /nfs/dbraw/zinc/07/69/70/1375076970.db2.gz NKTDSCYEODAOIR-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001225087624 1375092426 /nfs/dbraw/zinc/09/24/26/1375092426.db2.gz JWERLSRNGABALY-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001225142828 1375094850 /nfs/dbraw/zinc/09/48/50/1375094850.db2.gz PJCYMZPHKFFAIL-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001225228118 1375098413 /nfs/dbraw/zinc/09/84/13/1375098413.db2.gz CMKYECWMNHUBDE-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CCCCC1 ZINC001132105465 1375150029 /nfs/dbraw/zinc/15/00/29/1375150029.db2.gz HLEOUUIHPHNLRO-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC1CCCC1 ZINC001132105935 1375151652 /nfs/dbraw/zinc/15/16/52/1375151652.db2.gz OPVKGRFTCVHZCU-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC1CCC1 ZINC001132107476 1375151839 /nfs/dbraw/zinc/15/18/39/1375151839.db2.gz ZGLKVHPCQMKCRS-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150169 1375170473 /nfs/dbraw/zinc/17/04/73/1375170473.db2.gz OSIKBAFLTNUSMQ-ZWKOTPCHSA-N 2 0 335.536 3.164 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132157565 1375175841 /nfs/dbraw/zinc/17/58/41/1375175841.db2.gz QUNDDMVMEHHXMU-RDJZCZTQSA-N 2 0 328.460 3.107 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CCCCCF ZINC001132173075 1375187461 /nfs/dbraw/zinc/18/74/61/1375187461.db2.gz HADOQNXYROONCF-WBVHZDCISA-N 2 0 346.450 3.057 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132174412 1375188344 /nfs/dbraw/zinc/18/83/44/1375188344.db2.gz UXOKTEJJVYBYOG-HRMTXBTBSA-N 2 0 340.471 3.273 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132203377 1375207290 /nfs/dbraw/zinc/20/72/90/1375207290.db2.gz PHDWPBACOYUPKP-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132207691 1375210102 /nfs/dbraw/zinc/21/01/02/1375210102.db2.gz VWIPGJODHLEYQG-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132249455 1375244259 /nfs/dbraw/zinc/24/42/59/1375244259.db2.gz PCBCSMZLYLCMND-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC1CCC2(CC2)CC1 ZINC001132270954 1375258901 /nfs/dbraw/zinc/25/89/01/1375258901.db2.gz XXCXCBXKQCTLHZ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226554635 1375280800 /nfs/dbraw/zinc/28/08/00/1375280800.db2.gz RAMKAGBVTXBFSM-RCCFBDPRSA-N 2 0 343.531 3.120 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309829 1375287820 /nfs/dbraw/zinc/28/78/20/1375287820.db2.gz FDCLTJIEVVTBLW-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132376951 1375338980 /nfs/dbraw/zinc/33/89/80/1375338980.db2.gz RZPDRKJLTBLLRW-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001132416895 1375364363 /nfs/dbraw/zinc/36/43/63/1375364363.db2.gz ODLQPARSUYQBSB-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132435016 1375379318 /nfs/dbraw/zinc/37/93/18/1375379318.db2.gz AHKNKECNPQXTHH-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132440901 1375384553 /nfs/dbraw/zinc/38/45/53/1375384553.db2.gz HRYJIOUZHZVVNZ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2CC)C1 ZINC001132440560 1375385088 /nfs/dbraw/zinc/38/50/88/1375385088.db2.gz CIBUAHHMCZLDEE-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132441200 1375385160 /nfs/dbraw/zinc/38/51/60/1375385160.db2.gz LZTLEHXWYJDRTJ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001227150196 1375397733 /nfs/dbraw/zinc/39/77/33/1375397733.db2.gz MGVYINSVIVPVMG-IAGOWNOFSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494966 1375424737 /nfs/dbraw/zinc/42/47/37/1375424737.db2.gz ZMNLOHUXGJQGAP-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1Cc1ccsc1 ZINC001132517402 1375436038 /nfs/dbraw/zinc/43/60/38/1375436038.db2.gz BXNHLDJGTHUTJN-AEFFLSMTSA-N 2 0 349.544 3.093 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525660 1375441898 /nfs/dbraw/zinc/44/18/98/1375441898.db2.gz TVCGAQMTHVXPDL-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001227703049 1375463649 /nfs/dbraw/zinc/46/36/49/1375463649.db2.gz ATKUGJQQPFDTQK-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001227728957 1375467506 /nfs/dbraw/zinc/46/75/06/1375467506.db2.gz RVJJRHDLDLIEMI-RTBURBONSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227750580 1375471019 /nfs/dbraw/zinc/47/10/19/1375471019.db2.gz MBDILKQISBXCMZ-BRWVUGGUSA-N 2 0 341.515 3.016 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001227900777 1375489140 /nfs/dbraw/zinc/48/91/40/1375489140.db2.gz YJBDYFWMLBEAMN-XLIONFOSSA-N 2 0 345.531 3.223 20 0 EGADRP COc1ccncc1CC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227947383 1375493963 /nfs/dbraw/zinc/49/39/63/1375493963.db2.gz QLOITAIBODVKJI-UHFFFAOYSA-N 2 0 347.503 3.040 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001228053918 1375512982 /nfs/dbraw/zinc/51/29/82/1375512982.db2.gz LKPGXBNAFMZCAQ-QGZVFWFLSA-N 2 0 345.531 3.367 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001228112778 1375519510 /nfs/dbraw/zinc/51/95/10/1375519510.db2.gz JZYTYFXVXRIBIS-PXDRNWIDSA-N 2 0 349.563 3.434 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001228376828 1375559274 /nfs/dbraw/zinc/55/92/74/1375559274.db2.gz FCZPRGJKJMLFEW-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415612 1375569735 /nfs/dbraw/zinc/56/97/35/1375569735.db2.gz PPXHVAIFWROJKJ-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001228594527 1375609062 /nfs/dbraw/zinc/60/90/62/1375609062.db2.gz MHHXQALFLBRCED-RTLRUIJZSA-N 2 0 335.536 3.234 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228618255 1375619260 /nfs/dbraw/zinc/61/92/60/1375619260.db2.gz HNNIKNUFVIRAEX-PJHKVULZSA-N 2 0 335.536 3.092 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228623628 1375621240 /nfs/dbraw/zinc/62/12/40/1375621240.db2.gz GFQSZOSQIHJOSE-HNGSOEQISA-N 2 0 337.552 3.338 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001132938604 1375658134 /nfs/dbraw/zinc/65/81/34/1375658134.db2.gz WJZUUCRZDFBRDI-DLBZAZTESA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132955239 1375671325 /nfs/dbraw/zinc/67/13/25/1375671325.db2.gz RBJRJLRZZFRBPF-AEFFLSMTSA-N 2 0 342.487 3.212 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)c1ccccc1Cl ZINC001132985797 1375694908 /nfs/dbraw/zinc/69/49/08/1375694908.db2.gz SGPYHZXLTDPHLG-ZDUSSCGKSA-N 2 0 349.862 3.075 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904905 1375711645 /nfs/dbraw/zinc/71/16/45/1375711645.db2.gz YNAYEIGNPNKIQX-IBGZPJMESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001228924879 1375716453 /nfs/dbraw/zinc/71/64/53/1375716453.db2.gz KQGZYVUBJPKAEY-IPMKNSEASA-N 2 0 335.536 3.234 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cccnc2N(C)C)cc1 ZINC001327138224 1388397713 /nfs/dbraw/zinc/39/77/13/1388397713.db2.gz FAAACLDYEMIXEJ-UHFFFAOYSA-N 2 0 326.488 3.279 20 0 EGADRP C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229125746 1375769675 /nfs/dbraw/zinc/76/96/75/1375769675.db2.gz ANNCIKQBXCXUBO-KFKAGJAMSA-N 2 0 349.494 3.127 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)C(C)C ZINC001229194862 1375785357 /nfs/dbraw/zinc/78/53/57/1375785357.db2.gz RURGEGMJIQCSIM-QRVBRYPASA-N 2 0 337.552 3.170 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122722 1375787721 /nfs/dbraw/zinc/78/77/21/1375787721.db2.gz UQQGMDDYYAEYLO-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC001229215160 1375789690 /nfs/dbraw/zinc/78/96/90/1375789690.db2.gz WAYFDTRMCZBDOZ-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165368 1375818378 /nfs/dbraw/zinc/81/83/78/1375818378.db2.gz FUJVELJHMPDKQG-PXNSSMCTSA-N 2 0 345.531 3.236 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133225846 1375853729 /nfs/dbraw/zinc/85/37/29/1375853729.db2.gz KPHUIUMFBNELAF-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001133237852 1375859822 /nfs/dbraw/zinc/85/98/22/1375859822.db2.gz KINQAOXWQSGEIU-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+](C)CCc1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001229657031 1375873103 /nfs/dbraw/zinc/87/31/03/1375873103.db2.gz FGQRCDUVDVLMKF-UHFFFAOYSA-N 2 0 325.456 3.234 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001229853784 1375904571 /nfs/dbraw/zinc/90/45/71/1375904571.db2.gz VDJDWNIZMXNJMA-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001229992908 1375927305 /nfs/dbraw/zinc/92/73/05/1375927305.db2.gz KVGOBFDJVNNXEC-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133333501 1375929468 /nfs/dbraw/zinc/92/94/68/1375929468.db2.gz ILVSCVOMXAPUIM-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133337155 1375931223 /nfs/dbraw/zinc/93/12/23/1375931223.db2.gz JLFSHYGFGWEZHX-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133347212 1375935964 /nfs/dbraw/zinc/93/59/64/1375935964.db2.gz UVLBTVAUCDZIPY-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC001230113154 1375945479 /nfs/dbraw/zinc/94/54/79/1375945479.db2.gz UKWZKIPSIWTHCM-YRNVUSSQSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C\Cl)c1 ZINC001230248132 1375976349 /nfs/dbraw/zinc/97/63/49/1375976349.db2.gz VSAAMQJVXITQBE-FNYRBRLGSA-N 2 0 349.906 3.131 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230256918 1375977670 /nfs/dbraw/zinc/97/76/70/1375977670.db2.gz GNZYVSWYBVRENA-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC1(C)CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+]2CCCC2)C1 ZINC001230256860 1375978329 /nfs/dbraw/zinc/97/83/29/1375978329.db2.gz DCUTVOKSAPKIDB-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001230274638 1375981010 /nfs/dbraw/zinc/98/10/10/1375981010.db2.gz DETJNGXMAPDYNN-RTLRUIJZSA-N 2 0 335.536 3.234 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230623011 1376105195 /nfs/dbraw/zinc/10/51/95/1376105195.db2.gz UUSJDZJRKNCWIU-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](CC)CC ZINC001133684122 1376153504 /nfs/dbraw/zinc/15/35/04/1376153504.db2.gz DDFFQYZDOZFGPZ-WMLDXEAASA-N 2 0 339.911 3.227 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1cccc2ccccc21 ZINC001133834479 1376223917 /nfs/dbraw/zinc/22/39/17/1376223917.db2.gz YZIZELWXHDRYOP-IAGOWNOFSA-N 2 0 339.483 3.091 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001232007148 1376380807 /nfs/dbraw/zinc/38/08/07/1376380807.db2.gz RSWJSBIWVOTCKJ-UHFFFAOYSA-N 2 0 343.437 3.083 20 0 EGADRP COc1ccc(CC[N@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1OC ZINC001232011554 1376382246 /nfs/dbraw/zinc/38/22/46/1376382246.db2.gz MABYGPGCEUWGSJ-UHFFFAOYSA-N 2 0 325.412 3.255 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015151 1376383775 /nfs/dbraw/zinc/38/37/75/1376383775.db2.gz BYBLQPQHMYASAH-HIFRSBDPSA-N 2 0 344.459 3.441 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cncc(O)c1)CC2 ZINC001232040717 1376387731 /nfs/dbraw/zinc/38/77/31/1376387731.db2.gz NEBXVGLGGLZHHT-LJQANCHMSA-N 2 0 341.455 3.257 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232145928 1376409337 /nfs/dbraw/zinc/40/93/37/1376409337.db2.gz DYGGNPVKCANFIX-UHFFFAOYSA-N 3 0 335.511 3.440 20 0 EGADRP C[N@@H+](Cc1cccnc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001232540400 1376479342 /nfs/dbraw/zinc/47/93/42/1376479342.db2.gz ZIRDOPAHAJZLIO-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP CC[N@H+](C)C1CCN(Cc2ccc(-n3cnc(C)c3)c(OC)c2)CC1 ZINC001232567230 1376481894 /nfs/dbraw/zinc/48/18/94/1376481894.db2.gz RMEOXYIANRRXIX-UHFFFAOYSA-N 2 0 342.487 3.105 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(F)c(Cl)cc1Cl ZINC001232701032 1376506749 /nfs/dbraw/zinc/50/67/49/1376506749.db2.gz SEJUWQKJQLDIIG-UHFFFAOYSA-N 2 0 336.282 3.058 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134583755 1376607930 /nfs/dbraw/zinc/60/79/30/1376607930.db2.gz NXSJBYHUEZXWLE-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001134608032 1376622590 /nfs/dbraw/zinc/62/25/90/1376622590.db2.gz PRTYWHUNLDZRKD-IAGOWNOFSA-N 2 0 345.531 3.106 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612799 1376624047 /nfs/dbraw/zinc/62/40/47/1376624047.db2.gz QGYRASXZJVZUNR-IAGOWNOFSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728952 1376682007 /nfs/dbraw/zinc/68/20/07/1376682007.db2.gz DXFOOKSBXBPGJX-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730334 1376683284 /nfs/dbraw/zinc/68/32/84/1376683284.db2.gz VIGXAEBBLNSDRI-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001134759558 1376704646 /nfs/dbraw/zinc/70/46/46/1376704646.db2.gz SPZULIDJYZCMHL-RBUKOAKNSA-N 2 0 345.531 3.335 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001134766858 1376709705 /nfs/dbraw/zinc/70/97/05/1376709705.db2.gz OCIYSMJZOONMFK-VQTJNVASSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001134765934 1376710437 /nfs/dbraw/zinc/71/04/37/1376710437.db2.gz AOHJALPSGAIYDU-PKOBYXMFSA-N 2 0 331.504 3.025 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001134773476 1376714041 /nfs/dbraw/zinc/71/40/41/1376714041.db2.gz PLMPMQQAYSJBLV-SJORKVTESA-N 2 0 337.552 3.480 20 0 EGADRP CC(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790936 1376724314 /nfs/dbraw/zinc/72/43/14/1376724314.db2.gz LHEMUWYAOOECRZ-HZPDHXFCSA-N 2 0 325.541 3.168 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810395 1376738078 /nfs/dbraw/zinc/73/80/78/1376738078.db2.gz YGECVLZRLMWQHS-YCZSJOHXSA-N 2 0 342.487 3.486 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891135 1376770383 /nfs/dbraw/zinc/77/03/83/1376770383.db2.gz BOMMQMORXXTNAL-CVEARBPZSA-N 2 0 330.476 3.257 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234216370 1376787672 /nfs/dbraw/zinc/78/76/72/1376787672.db2.gz WMTHWBCSYAOCMB-YZBXUTEPSA-N 2 0 335.536 3.138 20 0 EGADRP CC(C)(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135942 1388464527 /nfs/dbraw/zinc/46/45/27/1388464527.db2.gz SYQRRYIYHZWYEY-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189331 1376855844 /nfs/dbraw/zinc/85/58/44/1376855844.db2.gz HWIOZICDEVLRNM-UHFFFAOYSA-N 2 0 343.393 3.276 20 0 EGADRP Clc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)nc1 ZINC001235191960 1376859107 /nfs/dbraw/zinc/85/91/07/1376859107.db2.gz ZRQYWIMXYBNIGB-SJORKVTESA-N 2 0 327.859 3.443 20 0 EGADRP Fc1cccc(CN2CC[C@]23CCC[N@H+](CCC2CC[NH2+]CC2)C3)c1 ZINC001235630319 1376879444 /nfs/dbraw/zinc/87/94/44/1376879444.db2.gz YYQPTQWPXVZGFI-NRFANRHFSA-N 2 0 345.506 3.256 20 0 EGADRP Clc1c2cc[nH]c2ncc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702001 1376884381 /nfs/dbraw/zinc/88/43/81/1376884381.db2.gz QCYHGZDNCWISGT-UHFFFAOYSA-N 2 0 332.879 3.380 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082263 1376885584 /nfs/dbraw/zinc/88/55/84/1376885584.db2.gz ZUZYSHJXZVDWBX-QZTJIDSGSA-N 2 0 345.531 3.324 20 0 EGADRP CC(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101316 1376898787 /nfs/dbraw/zinc/89/87/87/1376898787.db2.gz KTNZJVPEUVUOOO-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)C[C@H]1CN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001235878771 1376908568 /nfs/dbraw/zinc/90/85/68/1376908568.db2.gz OXMYLWVNYNRYKA-SFTDATJTSA-N 2 0 329.532 3.219 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc(F)c(CO)c2F)CC1 ZINC001235896409 1376912542 /nfs/dbraw/zinc/91/25/42/1376912542.db2.gz PJTQRRLCANJHNW-UHFFFAOYSA-N 2 0 346.421 3.295 20 0 EGADRP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1Oc1ccccc1 ZINC001235969664 1376923990 /nfs/dbraw/zinc/92/39/90/1376923990.db2.gz TXPWSYFKXPXQPZ-IBGZPJMESA-N 2 0 326.440 3.289 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180359 1376953386 /nfs/dbraw/zinc/95/33/86/1376953386.db2.gz GDCIYQARQGMLCR-MSOLQXFVSA-N 2 0 345.531 3.242 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135182125 1376954563 /nfs/dbraw/zinc/95/45/63/1376954563.db2.gz YCAMUACKQJFYBI-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1occc1C[NH+](C)C ZINC001135297915 1377026332 /nfs/dbraw/zinc/02/63/32/1377026332.db2.gz JRNOHKRNFJEUQJ-UONOGXRCSA-N 2 0 349.500 3.089 20 0 EGADRP CCc1ccc(CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135317339 1377034535 /nfs/dbraw/zinc/03/45/35/1377034535.db2.gz XYWCFIJUCDNOMM-MSOLQXFVSA-N 2 0 347.547 3.006 20 0 EGADRP COc1ccc(Br)cc1CC[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246161185 1377050439 /nfs/dbraw/zinc/05/04/39/1377050439.db2.gz XRDVITDTGNQHBI-CQSZACIVSA-N 2 0 341.293 3.120 20 0 EGADRP Fc1ccccc1CC1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246380820 1377051735 /nfs/dbraw/zinc/05/17/35/1377051735.db2.gz KPIYZOQSOVXNAH-ICSRJNTNSA-N 3 0 345.506 3.002 20 0 EGADRP CC[NH+](CC)CC[C@@H](C)NC1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001246381950 1377051747 /nfs/dbraw/zinc/05/17/47/1377051747.db2.gz VGQWYIDUJSDHPF-QGZVFWFLSA-N 2 0 335.511 3.200 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CCN([C@H]4C[NH2+][C@H](C)C4)CC3)CC2)cc1 ZINC001246716345 1377053573 /nfs/dbraw/zinc/05/35/73/1377053573.db2.gz UNOFRFYRPZVBGX-TZIWHRDSSA-N 2 0 341.543 3.423 20 0 EGADRP CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@H]3CC[NH2+][C@H](C)C3)CC[C@@H]21 ZINC001246761295 1377053933 /nfs/dbraw/zinc/05/39/33/1377053933.db2.gz AHQMZEYXSPNDTB-IGGJEDBVSA-N 2 0 327.516 3.461 20 0 EGADRP C[C@@H]1CC[C@@H]([NH3+])CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246819990 1377054983 /nfs/dbraw/zinc/05/49/83/1377054983.db2.gz HIHNUXSCURNAEC-JFHUYLGKSA-N 2 0 327.516 3.384 20 0 EGADRP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246822407 1377055228 /nfs/dbraw/zinc/05/52/28/1377055228.db2.gz APFHJIDQTYHNNR-ARAZSQDJSA-N 2 0 334.504 3.102 20 0 EGADRP Fc1ccccc1CC1CC[NH+](C2CCC3(CC2)C[NH2+]CCO3)CC1 ZINC001246821129 1377055286 /nfs/dbraw/zinc/05/52/86/1377055286.db2.gz HCFLFBVXRFTXEP-UHFFFAOYSA-N 2 0 346.490 3.381 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135374971 1377061128 /nfs/dbraw/zinc/06/11/28/1377061128.db2.gz HQGPDFYENPCTDS-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390216 1377069036 /nfs/dbraw/zinc/06/90/36/1377069036.db2.gz ILBVZYIWLWSBBH-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CCCC1CCCC1 ZINC001135392020 1377070543 /nfs/dbraw/zinc/07/05/43/1377070543.db2.gz WQYDJIVTEGIKMC-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP [NH3+]C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254371757 1377103589 /nfs/dbraw/zinc/10/35/89/1377103589.db2.gz CCJBALBHDYFUBX-HNNXBMFYSA-N 2 0 342.405 3.220 20 0 EGADRP COc1cccc(OCC2CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)c1 ZINC001254529862 1377107017 /nfs/dbraw/zinc/10/70/17/1377107017.db2.gz RYVZBYJVCVPMKK-GOSISDBHSA-N 2 0 332.488 3.270 20 0 EGADRP CC[N@H+]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254530078 1377107202 /nfs/dbraw/zinc/10/72/02/1377107202.db2.gz UPMFWLMHGNUQGE-IRXDYDNUSA-N 2 0 339.524 3.192 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471260 1377108653 /nfs/dbraw/zinc/10/86/53/1377108653.db2.gz JIZRRDWRZNMBEO-ZWKOTPCHSA-N 2 0 347.547 3.323 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471724 1377109283 /nfs/dbraw/zinc/10/92/83/1377109283.db2.gz ORMUHNIUISBGBB-SJORKVTESA-N 2 0 333.520 3.077 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1c(C)cc(C)cc1C)C(C)C ZINC001135474064 1377110126 /nfs/dbraw/zinc/11/01/26/1377110126.db2.gz GCHHVYUHJCPUOQ-HXUWFJFHSA-N 2 0 347.547 3.184 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CCC1CCCCC1)C(C)C ZINC001135478253 1377111498 /nfs/dbraw/zinc/11/14/98/1377111498.db2.gz YPLPLKNTLCLGJE-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135477416 1377111815 /nfs/dbraw/zinc/11/18/15/1377111815.db2.gz VBQCVQMSYLCMIY-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CC[C@@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001256366271 1377111891 /nfs/dbraw/zinc/11/18/91/1377111891.db2.gz WCAYNQIFUYSPEV-QGZVFWFLSA-N 2 0 348.535 3.114 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCCCC1 ZINC001135614300 1377162283 /nfs/dbraw/zinc/16/22/83/1377162283.db2.gz QEDJWXKQPVXEAS-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135705971 1377190889 /nfs/dbraw/zinc/19/08/89/1377190889.db2.gz MGYWWYYMEYOXMV-CABCVRRESA-N 2 0 347.494 3.027 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001135767767 1377206362 /nfs/dbraw/zinc/20/63/62/1377206362.db2.gz HZFFCRYCCNDKCU-RBUKOAKNSA-N 2 0 345.531 3.100 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135858485 1377236858 /nfs/dbraw/zinc/23/68/58/1377236858.db2.gz YPJLEEYXXLXMPV-HZPDHXFCSA-N 2 0 345.487 3.148 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135861917 1377238721 /nfs/dbraw/zinc/23/87/21/1377238721.db2.gz YUHVSNFVEPHWHK-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)C1 ZINC001266246088 1377244488 /nfs/dbraw/zinc/24/44/88/1377244488.db2.gz KTZAHZQHJCXDKC-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135882671 1377249138 /nfs/dbraw/zinc/24/91/38/1377249138.db2.gz QVOCGMGHRWWADQ-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135900702 1377254932 /nfs/dbraw/zinc/25/49/32/1377254932.db2.gz AEUQONDYUOFVFL-VGRIIWOTSA-N 2 0 349.563 3.338 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC1 ZINC001135906510 1377258168 /nfs/dbraw/zinc/25/81/68/1377258168.db2.gz CYAFTTXSGBMAAT-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001266312858 1377269665 /nfs/dbraw/zinc/26/96/65/1377269665.db2.gz AXTDEJBODHJQOM-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135992871 1377291536 /nfs/dbraw/zinc/29/15/36/1377291536.db2.gz WBHJQGGPPPCXMZ-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001135996443 1377292242 /nfs/dbraw/zinc/29/22/42/1377292242.db2.gz SWTOBXAUGQSOKW-GJZGRUSLSA-N 2 0 339.549 3.161 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001266470002 1377315897 /nfs/dbraw/zinc/31/58/97/1377315897.db2.gz XQZKTWDPZNIFMV-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001267547103 1377455472 /nfs/dbraw/zinc/45/54/72/1377455472.db2.gz UQFUDCFWOSXEGR-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2-n2cccn2)CC1 ZINC001137098063 1377477588 /nfs/dbraw/zinc/47/75/88/1377477588.db2.gz LMHFXPMXRWNBAB-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc3c1OC(F)(F)O3)CC2 ZINC001138069928 1377673600 /nfs/dbraw/zinc/67/36/00/1377673600.db2.gz VSNSSZGIWDDRDX-UHFFFAOYSA-N 2 0 338.398 3.316 20 0 EGADRP CCOC(=O)C1(C)CC[NH+](Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC001138547561 1377739250 /nfs/dbraw/zinc/73/92/50/1377739250.db2.gz PJJOYFQSWGMXEW-UHFFFAOYSA-N 2 0 341.455 3.346 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001138622139 1377754831 /nfs/dbraw/zinc/75/48/31/1377754831.db2.gz GFBYKMAMLFXGGT-UHFFFAOYSA-N 2 0 326.444 3.043 20 0 EGADRP COc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c2c(OC)cccc12 ZINC001138752641 1377780425 /nfs/dbraw/zinc/78/04/25/1377780425.db2.gz OIZNLSPRTSGPIL-UHFFFAOYSA-N 2 0 340.467 3.385 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccccc1Oc1ccccc1 ZINC001139054128 1377822332 /nfs/dbraw/zinc/82/23/32/1377822332.db2.gz BQMWUFSNMXIPOA-UHFFFAOYSA-N 2 0 341.499 3.404 20 0 EGADRP C[NH2+][C@@H](C)CCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001327431332 1388518418 /nfs/dbraw/zinc/51/84/18/1388518418.db2.gz PSPRSOMZAAMAHX-KRWDZBQOSA-N 2 0 346.519 3.081 20 0 EGADRP Cn1ccc2ccc(C[N@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)cc21 ZINC001139204590 1377851231 /nfs/dbraw/zinc/85/12/31/1377851231.db2.gz IKZYKAJZNWPHLE-OYRHEFFESA-N 2 0 346.478 3.137 20 0 EGADRP CN1CCN(c2ncc(C[N@H+](C)[C@H]3CCc4ccccc43)s2)CC1 ZINC001139326268 1377868890 /nfs/dbraw/zinc/86/88/90/1377868890.db2.gz OHSGQXFOUJDZDM-SFHVURJKSA-N 2 0 342.512 3.014 20 0 EGADRP Cc1nc2cc(C)ccn2c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001139680361 1377932746 /nfs/dbraw/zinc/93/27/46/1377932746.db2.gz ZFGYWFYTALJGJX-UHFFFAOYSA-N 2 0 326.488 3.259 20 0 EGADRP COc1ccc(-c2ncc(C[NH+]3CCC4(C[NH+](C)C4)CC3)s2)cc1 ZINC001139794509 1377951198 /nfs/dbraw/zinc/95/11/98/1377951198.db2.gz GWQLOGWRSVMZLV-UHFFFAOYSA-N 2 0 343.496 3.346 20 0 EGADRP Fc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001139832486 1377959426 /nfs/dbraw/zinc/95/94/26/1377959426.db2.gz DUVRUKYZDKEZLT-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097575 1378007241 /nfs/dbraw/zinc/00/72/41/1378007241.db2.gz WUDSOIDECNONQG-SFHVURJKSA-N 2 0 331.460 3.477 20 0 EGADRP CC[C@@H](C)N1CC[C@@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716522 1378079758 /nfs/dbraw/zinc/07/97/58/1378079758.db2.gz GSGTUAGPAXMADB-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C)N1CC2(CCC1=O)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272717639 1378080841 /nfs/dbraw/zinc/08/08/41/1378080841.db2.gz YGQXVDWUIKATLH-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP Cc1c(F)cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1Br ZINC001140557540 1378085251 /nfs/dbraw/zinc/08/52/51/1378085251.db2.gz OBOKAXULXAFXBA-KGLIPLIRSA-N 2 0 341.268 3.280 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccc(C)cc1 ZINC001273591599 1378105150 /nfs/dbraw/zinc/10/51/50/1378105150.db2.gz XQKPDCXAHBJSJA-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)c(Cl)cc1F ZINC001140701340 1378118436 /nfs/dbraw/zinc/11/84/36/1378118436.db2.gz JRELQSASVDWPKZ-UHFFFAOYSA-N 2 0 347.881 3.324 20 0 EGADRP FC(F)(F)CCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001275166175 1378137225 /nfs/dbraw/zinc/13/72/25/1378137225.db2.gz QSWOVDCIPKYDSH-JKSUJKDBSA-N 2 0 344.425 3.250 20 0 EGADRP CS[C@@H](C)CC[NH+]1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001276470932 1378174024 /nfs/dbraw/zinc/17/40/24/1378174024.db2.gz UPHFGXOYLSLPIU-INIZCTEOSA-N 2 0 349.544 3.217 20 0 EGADRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(N4CCCCC4)nc3)CC2)C1 ZINC001276873288 1378190506 /nfs/dbraw/zinc/19/05/06/1378190506.db2.gz UCBHTYXDIXFVMJ-UHFFFAOYSA-N 2 0 342.531 3.380 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001140968089 1378196540 /nfs/dbraw/zinc/19/65/40/1378196540.db2.gz GOTMMCJDXAAEKJ-KRWDZBQOSA-N 2 0 341.421 3.008 20 0 EGADRP Cc1ncoc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001141056772 1378223563 /nfs/dbraw/zinc/22/35/63/1378223563.db2.gz DMWXHPUJTFRTCD-OALUTQOASA-N 2 0 325.456 3.327 20 0 EGADRP CCCCc1ncc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)[nH]1 ZINC001141067645 1378226355 /nfs/dbraw/zinc/22/63/55/1378226355.db2.gz JVVUZTLBHFBDAI-UHFFFAOYSA-N 2 0 348.535 3.077 20 0 EGADRP CCC[C@H](C)C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278148278 1378259940 /nfs/dbraw/zinc/25/99/40/1378259940.db2.gz MULMQMHTNUCSRT-HFSMHLIXSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[C@H](C)C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278148277 1378260152 /nfs/dbraw/zinc/26/01/52/1378260152.db2.gz MULMQMHTNUCSRT-FBBABVLZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001278526823 1378280628 /nfs/dbraw/zinc/28/06/28/1378280628.db2.gz NCESLVMRKAVMKM-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccn3ccnc3c1)Cc1ccccc12 ZINC001279356615 1378306427 /nfs/dbraw/zinc/30/64/27/1378306427.db2.gz AUXWTSUXTTVWLF-UHFFFAOYSA-N 2 0 346.478 3.314 20 0 EGADRP COc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001141607146 1378349742 /nfs/dbraw/zinc/34/97/42/1378349742.db2.gz DZDLDMNQGQOHIU-OCCSQVGLSA-N 2 0 328.378 3.098 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccc2n[nH]cc21 ZINC001143097171 1378538393 /nfs/dbraw/zinc/53/83/93/1378538393.db2.gz SCJZJIUPHNUGGZ-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cc2)cn1 ZINC001327604847 1388566417 /nfs/dbraw/zinc/56/64/17/1388566417.db2.gz RXZBDVWFWQZRRF-LJQANCHMSA-N 2 0 338.499 3.299 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584724 1378871210 /nfs/dbraw/zinc/87/12/10/1378871210.db2.gz UQTPUCXUGUFXRU-DLBZAZTESA-N 2 0 331.504 3.201 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001146601110 1378875367 /nfs/dbraw/zinc/87/53/67/1378875367.db2.gz KBHQGQLVQYLDJM-DLBZAZTESA-N 2 0 345.531 3.277 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1F ZINC001146612605 1378877713 /nfs/dbraw/zinc/87/77/13/1378877713.db2.gz QOIPTKYNZHSRJR-SJORKVTESA-N 2 0 349.494 3.075 20 0 EGADRP CC[NH+]1CCC(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)CC1 ZINC001146781948 1378918172 /nfs/dbraw/zinc/91/81/72/1378918172.db2.gz PRSBTWZUQAYBRM-UHFFFAOYSA-N 2 0 329.488 3.166 20 0 EGADRP Cc1cccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)c1 ZINC001283450255 1378946413 /nfs/dbraw/zinc/94/64/13/1378946413.db2.gz YZLXEZWQMQZECA-UXHICEINSA-N 2 0 345.531 3.100 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001147359966 1379008967 /nfs/dbraw/zinc/00/89/67/1379008967.db2.gz XZWXARYMUAMTAX-UYAOXDASSA-N 2 0 345.531 3.416 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541184 1379039857 /nfs/dbraw/zinc/03/98/57/1379039857.db2.gz LKWNTAXEEDQWQQ-GHOSXJJBSA-N 2 0 347.547 3.140 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147552619 1379041286 /nfs/dbraw/zinc/04/12/86/1379041286.db2.gz MSYKWXCTHQNESU-AATRIKPKSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)[NH+](CC)CC ZINC001148284756 1379145331 /nfs/dbraw/zinc/14/53/31/1379145331.db2.gz CLZMZHGZPIZHPW-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359810 1379156472 /nfs/dbraw/zinc/15/64/72/1379156472.db2.gz FNQMSVZXZKNKRU-UHFFFAOYSA-N 2 0 341.499 3.086 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)C2 ZINC001148457950 1379175950 /nfs/dbraw/zinc/17/59/50/1379175950.db2.gz GMRPQWVBHDDPBE-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001148833614 1379279243 /nfs/dbraw/zinc/27/92/43/1379279243.db2.gz DQVVNLVEMKSLNC-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP Fc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC001327838425 1388604051 /nfs/dbraw/zinc/60/40/51/1388604051.db2.gz HBEVEHBQEMTYQV-HSALFYBXSA-N 2 0 331.479 3.305 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001284005946 1379356992 /nfs/dbraw/zinc/35/69/92/1379356992.db2.gz YNWOUGJFBXSJAS-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001284033804 1379384217 /nfs/dbraw/zinc/38/42/17/1379384217.db2.gz PGHVJEQHZGSXKP-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001151362524 1379705917 /nfs/dbraw/zinc/70/59/17/1379705917.db2.gz YNJGYACKMATDRA-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001152383153 1379923223 /nfs/dbraw/zinc/92/32/23/1379923223.db2.gz CPSSBNKQUVMNHB-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001284614637 1380013707 /nfs/dbraw/zinc/01/37/07/1380013707.db2.gz VPAXEKICDXPXKX-MOPGFXCFSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001153302391 1380051197 /nfs/dbraw/zinc/05/11/97/1380051197.db2.gz UQQVKTRLQKTQGP-MOPGFXCFSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)c(C)c1 ZINC001153309986 1380052621 /nfs/dbraw/zinc/05/26/21/1380052621.db2.gz WSFFYEOBHOHRJP-UHFFFAOYSA-N 2 0 345.531 3.084 20 0 EGADRP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368480 1380066273 /nfs/dbraw/zinc/06/62/73/1380066273.db2.gz QJSKEEUVHOAMHU-LXPRWKDFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153387969 1380068372 /nfs/dbraw/zinc/06/83/72/1380068372.db2.gz PMTCCPBGRFMSHE-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2cccc(C)c2)CC[N@@H+]1C ZINC001153501142 1380085950 /nfs/dbraw/zinc/08/59/50/1380085950.db2.gz GXISTLIFODJXTB-YZGWKJHDSA-N 2 0 345.531 3.052 20 0 EGADRP CC[N@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930808 1380157035 /nfs/dbraw/zinc/15/70/35/1380157035.db2.gz YKDZSFGARUXOLH-FZTFRBCYSA-N 2 0 345.531 3.113 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCc1cccc(C)c1)[NH+](C)C ZINC001154001241 1380175073 /nfs/dbraw/zinc/17/50/73/1380175073.db2.gz QBTBVQDORRJVIC-UYAOXDASSA-N 2 0 347.547 3.094 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033745 1380187226 /nfs/dbraw/zinc/18/72/26/1380187226.db2.gz LKCMQJZVPPTABY-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455087 1380280474 /nfs/dbraw/zinc/28/04/74/1380280474.db2.gz DZTUVWCCFOETFN-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2=CCCCC2)C1 ZINC001154784211 1380350725 /nfs/dbraw/zinc/35/07/25/1380350725.db2.gz AWIPVGVOTAQFNW-UYAOXDASSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](CC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844483 1380363417 /nfs/dbraw/zinc/36/34/17/1380363417.db2.gz JOLBYMKYGIFBAY-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844576 1380364112 /nfs/dbraw/zinc/36/41/12/1380364112.db2.gz OCCSHMBDQXKIGK-SCTDSRPQSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904509 1380374628 /nfs/dbraw/zinc/37/46/28/1380374628.db2.gz VNRATHPADYFYGC-OAHLLOKOSA-N 2 0 339.911 3.008 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024132 1380393417 /nfs/dbraw/zinc/39/34/17/1380393417.db2.gz RKUZSOUBVSGMJC-QGZVFWFLSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066877 1380402392 /nfs/dbraw/zinc/40/23/92/1380402392.db2.gz POCBDTBFVDERML-IEBWSBKVSA-N 2 0 339.568 3.370 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCC[C@@H]2C)c1 ZINC001155227284 1380426745 /nfs/dbraw/zinc/42/67/45/1380426745.db2.gz XMHLSLQEJYOKNB-ZWKOTPCHSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254837 1380429410 /nfs/dbraw/zinc/42/94/10/1380429410.db2.gz GIABJDDUGRWWKE-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263936 1380430298 /nfs/dbraw/zinc/43/02/98/1380430298.db2.gz YXLIEEKQVSBAOZ-MRXNPFEDSA-N 2 0 327.557 3.227 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)sc1C)[NH+](C)C ZINC001155289137 1380433563 /nfs/dbraw/zinc/43/35/63/1380433563.db2.gz LJFGFWVOKJAIJD-DYVFJYSZSA-N 2 0 339.549 3.032 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155612457 1380473868 /nfs/dbraw/zinc/47/38/68/1380473868.db2.gz WJHUWHPDNTVNJY-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C[C@@H](F)CC ZINC001155877848 1380502044 /nfs/dbraw/zinc/50/20/44/1380502044.db2.gz LNCWHEVYWBQQJX-SJORKVTESA-N 2 0 331.520 3.073 20 0 EGADRP CN(C)c1cccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[nH+]1 ZINC001156315201 1380556998 /nfs/dbraw/zinc/55/69/98/1380556998.db2.gz LENLVMBBEAEFAC-GUDVDZBRSA-N 2 0 336.483 3.470 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374332 1380566942 /nfs/dbraw/zinc/56/69/42/1380566942.db2.gz OOOODIHDLYEFGK-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(Cl)s1 ZINC001156525734 1380588161 /nfs/dbraw/zinc/58/81/61/1380588161.db2.gz WTBHWTCMKPEKFG-CYBMUJFWSA-N 2 0 345.940 3.070 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1cc(Cl)nc2cc(Cl)ccc21 ZINC001157093871 1380774315 /nfs/dbraw/zinc/77/43/15/1380774315.db2.gz GONNIDWZPCOEFQ-UHFFFAOYSA-N 2 0 326.231 3.217 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1c(Cl)nc(Cl)c(Cl)c1Cl ZINC001157094173 1380774078 /nfs/dbraw/zinc/77/40/78/1380774078.db2.gz LVBUKOZZFMNPNX-UHFFFAOYSA-N 2 0 345.061 3.370 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098802 1380774796 /nfs/dbraw/zinc/77/47/96/1380774796.db2.gz ZOVYGNMNVKZWDD-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109478 1380777024 /nfs/dbraw/zinc/77/70/24/1380777024.db2.gz OZBHRCYQHNQMDF-SJLPKXTDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113340 1380778696 /nfs/dbraw/zinc/77/86/96/1380778696.db2.gz HTKFMGNIGAOVCC-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001157886979 1381061088 /nfs/dbraw/zinc/06/10/88/1381061088.db2.gz NUNXIQXAYKJRRP-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001157893390 1381063389 /nfs/dbraw/zinc/06/33/89/1381063389.db2.gz FEHYVBFRJPYYIU-MOPGFXCFSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CC2)C1 ZINC001158065075 1381118316 /nfs/dbraw/zinc/11/83/16/1381118316.db2.gz DETASXBJAKWAQS-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227140 1381166087 /nfs/dbraw/zinc/16/60/87/1381166087.db2.gz BHUHNFCWBTWNDM-QFBILLFUSA-N 2 0 342.487 3.307 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccc(F)cc1 ZINC001158412590 1381236983 /nfs/dbraw/zinc/23/69/83/1381236983.db2.gz QEACVHLPIINVRZ-IPMKNSEASA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2=CCCCC2)CC1 ZINC001158418971 1381239818 /nfs/dbraw/zinc/23/98/18/1381239818.db2.gz DZTAQLSFKKWENS-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158450423 1381249043 /nfs/dbraw/zinc/24/90/43/1381249043.db2.gz QIWAPSCQQWZZTI-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450255 1381249751 /nfs/dbraw/zinc/24/97/51/1381249751.db2.gz PHKCREQQDBTGKT-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCC(C)(C)C)C1 ZINC001158474414 1381258885 /nfs/dbraw/zinc/25/88/85/1381258885.db2.gz YVAXLUZCBFUOPB-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@@H](C)CC(C)C ZINC001158704682 1381361227 /nfs/dbraw/zinc/36/12/27/1381361227.db2.gz QPDIJZVZOBJDJV-RBUKOAKNSA-N 2 0 339.568 3.323 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158786822 1381399569 /nfs/dbraw/zinc/39/95/69/1381399569.db2.gz HPJIZMBQFACKDO-OLHLWXQYSA-N 2 0 337.552 3.388 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001158806572 1381408583 /nfs/dbraw/zinc/40/85/83/1381408583.db2.gz LBPBRQQIDSFNBF-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001328401203 1388737480 /nfs/dbraw/zinc/73/74/80/1388737480.db2.gz UQPMRFRYBSFDMN-XHSDSOJGSA-N 2 0 334.533 3.001 20 0 EGADRP O=C(c1ccc(Nc2cc[nH+]c(C3CCC3)c2)cc1)N1CC[NH2+]CC1 ZINC001159364303 1381778400 /nfs/dbraw/zinc/77/84/00/1381778400.db2.gz NHAHHKVCOZZOFI-UHFFFAOYSA-N 2 0 336.439 3.138 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC001159535066 1381819596 /nfs/dbraw/zinc/81/95/96/1381819596.db2.gz CDHSFCZFVGNIJI-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP Cc1ccc(-c2nnc(N[C@H]([NH3+])CCC[NH3+])c3ccccc32)cc1C ZINC001159786875 1381899469 /nfs/dbraw/zinc/89/94/69/1381899469.db2.gz MEEVDFCQRKVWHR-SFHVURJKSA-N 2 0 335.455 3.349 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2cc(OCc3ccccc3)ccc2n1 ZINC001159787403 1381899565 /nfs/dbraw/zinc/89/95/65/1381899565.db2.gz WKRDTMKIZUVSSR-LJQANCHMSA-N 2 0 336.439 3.249 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839322 1381917130 /nfs/dbraw/zinc/91/71/30/1381917130.db2.gz YEOYHYLCYSTCRE-RBUKOAKNSA-N 2 0 345.531 3.130 20 0 EGADRP Fc1cc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC1CC[NH2+]CC1 ZINC001159880658 1381926886 /nfs/dbraw/zinc/92/68/86/1381926886.db2.gz CTZNKHMKZSEUFM-CABCVRRESA-N 2 0 331.435 3.024 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc[nH+]c(N)n3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001159886804 1381928982 /nfs/dbraw/zinc/92/89/82/1381928982.db2.gz LMRYGTBNPWNFMZ-KPLDXPABSA-N 2 0 331.508 3.429 20 0 EGADRP Nc1cccc(F)c1N(CC1CC[NH2+]CC1)c1ccc2c[nH+]cn2c1 ZINC001160122640 1382003902 /nfs/dbraw/zinc/00/39/02/1382003902.db2.gz TZLNXKHYCWSUAI-UHFFFAOYSA-N 2 0 339.418 3.193 20 0 EGADRP OC1(c2ccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)cc2)CC[NH2+]CC1 ZINC001160374904 1382086548 /nfs/dbraw/zinc/08/65/48/1382086548.db2.gz FUYPGCYRBUCWNO-HXUWFJFHSA-N 2 0 337.467 3.426 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160467889 1382114489 /nfs/dbraw/zinc/11/44/89/1382114489.db2.gz YPMUQGWWMDQLSK-PMACEKPBSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1noc2ccc(CNc3cccc(N4CCC([NH3+])CC4)[nH+]3)cc12 ZINC001160867324 1382219795 /nfs/dbraw/zinc/21/97/95/1382219795.db2.gz JLZIOJDTWMYCNV-UHFFFAOYSA-N 2 0 337.427 3.071 20 0 EGADRP Cc1cccc2c1nc(Cl)nc2-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160946221 1382246741 /nfs/dbraw/zinc/24/67/41/1382246741.db2.gz WIYSYMDOLRUMHN-UHFFFAOYSA-N 2 0 337.814 3.432 20 0 EGADRP [NH3+]CCc1cn(-c2nc(Cl)nc3cccc(F)c32)c2cc[nH+]cc12 ZINC001160946196 1382246786 /nfs/dbraw/zinc/24/67/86/1382246786.db2.gz VCJQKWSDBDHQMC-UHFFFAOYSA-N 2 0 341.777 3.262 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985807 1382261916 /nfs/dbraw/zinc/26/19/16/1382261916.db2.gz JTQPFMMWFKPFLE-LJQANCHMSA-N 2 0 335.536 3.047 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](CCC(C)C)CC2)C1 ZINC001160985818 1382262041 /nfs/dbraw/zinc/26/20/41/1382262041.db2.gz KHJWCPIKTYYEFT-HXUWFJFHSA-N 2 0 349.563 3.293 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161028047 1382277276 /nfs/dbraw/zinc/27/72/76/1382277276.db2.gz FBQCNLJQZGGGBL-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP CN(C(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060490 1382286534 /nfs/dbraw/zinc/28/65/34/1382286534.db2.gz BSTJYWIBPAQDJV-ZNMIVQPWSA-N 2 0 344.286 3.112 20 0 EGADRP Cc1ccc([C@@H]2CCCCN2C(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1C ZINC001161104479 1382298748 /nfs/dbraw/zinc/29/87/48/1382298748.db2.gz USYHGLSGYVSURU-OALUTQOASA-N 2 0 331.504 3.203 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205792 1382340697 /nfs/dbraw/zinc/34/06/97/1382340697.db2.gz GYHOZTIUVWXDNN-MJGOQNOKSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001161213087 1382343752 /nfs/dbraw/zinc/34/37/52/1382343752.db2.gz GAPPJICMBZUUNM-UUKMXZOPSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161219956 1382347262 /nfs/dbraw/zinc/34/72/62/1382347262.db2.gz RWLOEUCPOOBLPN-VOFKWLDRSA-N 2 0 347.547 3.213 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383274 1382391686 /nfs/dbraw/zinc/39/16/86/1382391686.db2.gz OSSDGVSCCKXRFF-RTBURBONSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383370 1382391696 /nfs/dbraw/zinc/39/16/96/1382391696.db2.gz UXKSGIKEDIHCII-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001161530353 1382430943 /nfs/dbraw/zinc/43/09/43/1382430943.db2.gz XCGUURFQOYGACG-JLSDUUJJSA-N 2 0 349.906 3.205 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC2=CC[N@H+](CC3CCCC3)CC2)CC1 ZINC001161554860 1382438449 /nfs/dbraw/zinc/43/84/49/1382438449.db2.gz VCBFMHIOTLGXPC-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCCCC1)c1ccsc1 ZINC001328592390 1388785879 /nfs/dbraw/zinc/78/58/79/1388785879.db2.gz SMLVRKBNASHXBW-IRXDYDNUSA-N 2 0 337.533 3.155 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161699224 1382483794 /nfs/dbraw/zinc/48/37/94/1382483794.db2.gz OKDJWKFCURRHJQ-RRFGBZISSA-N 2 0 347.547 3.213 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705732 1382485662 /nfs/dbraw/zinc/48/56/62/1382485662.db2.gz XGKLETAQPYDGKD-PMACEKPBSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932569 1382558925 /nfs/dbraw/zinc/55/89/25/1382558925.db2.gz VJCSMKBXNYCOKO-ARJAWSKDSA-N 2 0 347.547 3.357 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001161952072 1382567169 /nfs/dbraw/zinc/56/71/69/1382567169.db2.gz CNKIINHRCUQJRF-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001162455170 1382761298 /nfs/dbraw/zinc/76/12/98/1382761298.db2.gz BYYFMRKYMFEZEO-WMZOPIPTSA-N 2 0 325.500 3.382 20 0 EGADRP CCOc1cc[nH+]c(NCCCP(CCC[NH3+])c2ccccc2)c1 ZINC001162466603 1382765859 /nfs/dbraw/zinc/76/58/59/1382765859.db2.gz HIEOPNGFIIIMIT-UHFFFAOYSA-N 2 0 345.427 3.439 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cccc4c3CCC4)c2)CC1 ZINC001328694253 1388810973 /nfs/dbraw/zinc/81/09/73/1388810973.db2.gz SCEPODMVHYZJFI-UHFFFAOYSA-N 2 0 349.522 3.213 20 0 EGADRP c1cc([C@@H]2CCC[NH2+]2)ccc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162967106 1382930856 /nfs/dbraw/zinc/93/08/56/1382930856.db2.gz YTBVWHYUUHXFJX-MOPGFXCFSA-N 2 0 329.488 3.072 20 0 EGADRP C[N@@H+]1CC[C@@H](c2ccc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)cc2)C1 ZINC001163065309 1382959520 /nfs/dbraw/zinc/95/95/20/1382959520.db2.gz MACFLQJPXZKUEN-IEBWSBKVSA-N 2 0 338.499 3.129 20 0 EGADRP C[N@@H+]1CC[C@H](c2ccc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)cc2)C1 ZINC001163065311 1382959561 /nfs/dbraw/zinc/95/95/61/1382959561.db2.gz MACFLQJPXZKUEN-MJGOQNOKSA-N 2 0 338.499 3.129 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001163231618 1383001377 /nfs/dbraw/zinc/00/13/77/1383001377.db2.gz GEQIYSPWDRWRKT-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccccc1 ZINC001163242894 1383003317 /nfs/dbraw/zinc/00/33/17/1383003317.db2.gz OMIGTFQSKBMGFI-UXHICEINSA-N 2 0 343.515 3.108 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCC2CCCC2)CCCCC1 ZINC001163247107 1383003969 /nfs/dbraw/zinc/00/39/69/1383003969.db2.gz CYCHDUHCIBIEPF-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(NC3CCC(C[NH+](C)C)CC3)[nH+]cc21 ZINC001163301619 1383016189 /nfs/dbraw/zinc/01/61/89/1383016189.db2.gz LYYNMBOOKOTUGU-UHFFFAOYSA-N 2 0 344.459 3.272 20 0 EGADRP CCOc1cccc(CCNc2cccc(CN3CC[C@@H]([NH3+])C3)c2)c1 ZINC001163713784 1383112159 /nfs/dbraw/zinc/11/21/59/1383112159.db2.gz HHTLWZPILZJRJF-LJQANCHMSA-N 2 0 339.483 3.273 20 0 EGADRP C[NH+](C)CCCOc1ccc(NCc2cccc(C[NH+](C)C)c2)cn1 ZINC001163999219 1383144885 /nfs/dbraw/zinc/14/48/85/1383144885.db2.gz RTTVIILDWRYQBZ-UHFFFAOYSA-N 2 0 342.487 3.086 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)[NH+](CC)CC ZINC001164424510 1383185616 /nfs/dbraw/zinc/18/56/16/1383185616.db2.gz BHCLUOUNDTZHEW-SFHVURJKSA-N 2 0 326.444 3.306 20 0 EGADRP Nc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[nH+]cc1F ZINC001164486144 1383191988 /nfs/dbraw/zinc/19/19/88/1383191988.db2.gz LCWCRLAYSDDSSF-IIDMSEBBSA-N 2 0 326.419 3.125 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500706 1383193932 /nfs/dbraw/zinc/19/39/32/1383193932.db2.gz BVPAGIQXBSFOCE-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531584 1383196960 /nfs/dbraw/zinc/19/69/60/1383196960.db2.gz NUQWGVCTEPEDKX-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H]3c3nccs3)c2)CC1 ZINC001165139341 1383235114 /nfs/dbraw/zinc/23/51/14/1383235114.db2.gz HGFGICXNUOTCRS-INIZCTEOSA-N 2 0 344.484 3.353 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001165203627 1383248499 /nfs/dbraw/zinc/24/84/99/1383248499.db2.gz ZOEZATPOKRWDTM-ZWKOTPCHSA-N 2 0 347.466 3.367 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001165245723 1383257343 /nfs/dbraw/zinc/25/73/43/1383257343.db2.gz CYWXYEUDFNKHMJ-IRXDYDNUSA-N 2 0 349.519 3.267 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNc2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001165278210 1383265047 /nfs/dbraw/zinc/26/50/47/1383265047.db2.gz DVFKIVZDYNHAHG-KRWDZBQOSA-N 2 0 325.500 3.478 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165331795 1383274796 /nfs/dbraw/zinc/27/47/96/1383274796.db2.gz CMMWHRGKLMNJBY-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP O=C(CCc1c[nH]cn1)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001165383317 1383283042 /nfs/dbraw/zinc/28/30/42/1383283042.db2.gz GRXZHVQGQBZOOW-UHFFFAOYSA-N 2 0 344.503 3.109 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1cccc2ccccc21 ZINC001165379248 1383283316 /nfs/dbraw/zinc/28/33/16/1383283316.db2.gz VJIFVENEEWFPTI-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165485513 1383301954 /nfs/dbraw/zinc/30/19/54/1383301954.db2.gz YDZIUUXCZJRRKE-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1)c1ccccc1 ZINC001165501229 1383303631 /nfs/dbraw/zinc/30/36/31/1383303631.db2.gz COZIFQKGWZCBET-QGZVFWFLSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165569096 1383311515 /nfs/dbraw/zinc/31/15/15/1383311515.db2.gz RSPKERWBNGWSDI-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165618179 1383315586 /nfs/dbraw/zinc/31/55/86/1383315586.db2.gz ZGDZTBNIVZTQMS-GIFJBRJJSA-N 2 0 337.552 3.195 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165763760 1383341327 /nfs/dbraw/zinc/34/13/27/1383341327.db2.gz FQMWAUSKYIPPSX-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)c2cccc3nccn32)CC1 ZINC001166138459 1383394685 /nfs/dbraw/zinc/39/46/85/1383394685.db2.gz LNKJWLIAOIOATQ-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CC3CCC3)CC2)CCCCC1 ZINC001166380826 1383417390 /nfs/dbraw/zinc/41/73/90/1383417390.db2.gz MJQMTJBYMWLXDU-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166389801 1383417599 /nfs/dbraw/zinc/41/75/99/1383417599.db2.gz HOBPLLLFECAWAA-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166403309 1383419244 /nfs/dbraw/zinc/41/92/44/1383419244.db2.gz IEXLJNHCFUZMLS-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C)[NH+](CC)CC ZINC001166425974 1383421087 /nfs/dbraw/zinc/42/10/87/1383421087.db2.gz YHTFSCIADUAGGW-FQEVSTJZSA-N 2 0 347.547 3.328 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)s1)[NH+](CC)CC ZINC001166424022 1383421267 /nfs/dbraw/zinc/42/12/67/1383421267.db2.gz BQGAMWRMEATNEE-AWEZNQCLSA-N 2 0 345.940 3.118 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC001166736225 1383468484 /nfs/dbraw/zinc/46/84/84/1383468484.db2.gz FFOUUMWVKTUALE-SFHVURJKSA-N 2 0 345.531 3.192 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]CCC1CCCCCC1)CC(C)(C)C ZINC001166743975 1383469951 /nfs/dbraw/zinc/46/99/51/1383469951.db2.gz BJWUHWNUSXJCGR-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC001166764657 1383474094 /nfs/dbraw/zinc/47/40/94/1383474094.db2.gz KBAHEMLZGWOECQ-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]CCC(C)C)CC2)C1 ZINC001166787274 1383477503 /nfs/dbraw/zinc/47/75/03/1383477503.db2.gz KDJARTIEXJXYPQ-SFHVURJKSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001167035217 1383524572 /nfs/dbraw/zinc/52/45/72/1383524572.db2.gz BRKRJXRMFGQUOU-QGZVFWFLSA-N 2 0 339.568 3.275 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1CC ZINC001328785824 1388863032 /nfs/dbraw/zinc/86/30/32/1388863032.db2.gz KNMHBTBWEBWQIQ-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167224930 1383570157 /nfs/dbraw/zinc/57/01/57/1383570157.db2.gz OAYRLZVZOQPWPE-OOFWQKGWSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167237227 1383572631 /nfs/dbraw/zinc/57/26/31/1383572631.db2.gz XKPZMFCXLWQRKX-IEBWSBKVSA-N 2 0 349.563 3.031 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167609091 1383688134 /nfs/dbraw/zinc/68/81/34/1383688134.db2.gz KVMVBHGYWIRKMC-SFHVURJKSA-N 2 0 345.531 3.109 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167609576 1383689070 /nfs/dbraw/zinc/68/90/70/1383689070.db2.gz NKGHEILSNVANQI-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C ZINC001167610114 1383689243 /nfs/dbraw/zinc/68/92/43/1383689243.db2.gz QFFOYPUEBWPDSP-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001167627075 1383692601 /nfs/dbraw/zinc/69/26/01/1383692601.db2.gz KALSVCGLORAKCD-LJQANCHMSA-N 2 0 349.494 3.015 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001167640665 1383695914 /nfs/dbraw/zinc/69/59/14/1383695914.db2.gz ORLUXAXIPWGFMY-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167685708 1383710332 /nfs/dbraw/zinc/71/03/32/1383710332.db2.gz JXXYNYZACIOHEC-BRWVUGGUSA-N 2 0 339.524 3.048 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167699446 1383715428 /nfs/dbraw/zinc/71/54/28/1383715428.db2.gz KDZFBGWGOXCSBL-FQEVSTJZSA-N 2 0 345.531 3.140 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001167823302 1383749308 /nfs/dbraw/zinc/74/93/08/1383749308.db2.gz KHKMXADYVIFNCV-OXQOHEQNSA-N 2 0 329.488 3.093 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001167826523 1383749916 /nfs/dbraw/zinc/74/99/16/1383749916.db2.gz PPYMQHWQPFRALU-IBGZPJMESA-N 2 0 345.531 3.263 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC001167827898 1383751074 /nfs/dbraw/zinc/75/10/74/1383751074.db2.gz ZFGWQCKLWVCKNJ-KRWDZBQOSA-N 2 0 349.494 3.094 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCN(C(C)C)C2=O)CC1 ZINC001167834610 1383753296 /nfs/dbraw/zinc/75/32/96/1383753296.db2.gz LBJDKBDPLQGGRO-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001167836448 1383755271 /nfs/dbraw/zinc/75/52/71/1383755271.db2.gz WAHLKTIRBRJFMH-IBGZPJMESA-N 2 0 345.531 3.356 20 0 EGADRP [NH2+]=C(Nc1ccc(NC(=O)CCc2ccccc2)cc1)SCC[NH3+] ZINC001167911877 1383768774 /nfs/dbraw/zinc/76/87/74/1383768774.db2.gz GHRFWYXDRIGSMR-UHFFFAOYSA-N 2 0 342.468 3.296 20 0 EGADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001167943315 1383774841 /nfs/dbraw/zinc/77/48/41/1383774841.db2.gz LPOLKLFAQTWQFE-MSOLQXFVSA-N 2 0 347.503 3.362 20 0 EGADRP CC1(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC(C)(C)N1O ZINC001167963999 1383780002 /nfs/dbraw/zinc/78/00/02/1383780002.db2.gz JJQLKSNYNHVPRN-ZNXRZULTSA-N 2 0 335.536 3.392 20 0 EGADRP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccc(O)cc12 ZINC001167965663 1383780309 /nfs/dbraw/zinc/78/03/09/1383780309.db2.gz JPZIFKMOQCLEMJ-JWTNVVGKSA-N 2 0 339.483 3.426 20 0 EGADRP [NH3+]CC[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc21 ZINC001167966160 1383781068 /nfs/dbraw/zinc/78/10/68/1383781068.db2.gz QYWDIOWYHRVKCT-KAKFPZCNSA-N 2 0 325.500 3.344 20 0 EGADRP CCCC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167973774 1383783505 /nfs/dbraw/zinc/78/35/05/1383783505.db2.gz NFSVUXZNLKVELQ-SEJPIABJSA-N 3 0 333.564 3.494 20 0 EGADRP c1cc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc[nH+]1 ZINC001167974405 1383783700 /nfs/dbraw/zinc/78/37/00/1383783700.db2.gz ZOHLNLHIZUJPBX-VCSGRIEYSA-N 3 0 340.515 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001328811793 1388878825 /nfs/dbraw/zinc/87/88/25/1388878825.db2.gz FXGSAJUFGDVOTD-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCOC(=O)[C@@]1(C)CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985778 1383787778 /nfs/dbraw/zinc/78/77/78/1383787778.db2.gz ZMTGVADIYMMVEH-VHRCFOOQSA-N 2 0 348.531 3.447 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)C2CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009242 1383795898 /nfs/dbraw/zinc/79/58/98/1383795898.db2.gz ZLUMKDUCZSDWSU-IZZQQSIFSA-N 2 0 343.515 3.029 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030580 1383800213 /nfs/dbraw/zinc/80/02/13/1383800213.db2.gz QGJQCICWMLNKJF-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H](Cc1ccc(Cl)cc1)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001168186673 1383839305 /nfs/dbraw/zinc/83/93/05/1383839305.db2.gz CKGNOPCCTQAHJU-QGZVFWFLSA-N 2 0 339.955 3.476 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001168290488 1383864378 /nfs/dbraw/zinc/86/43/78/1383864378.db2.gz GBTGBAXJCBSGBM-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168297187 1383866654 /nfs/dbraw/zinc/86/66/54/1383866654.db2.gz JISSOTPXMXWMOL-UHFFFAOYSA-N 2 0 347.547 3.239 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001168315362 1383871789 /nfs/dbraw/zinc/87/17/89/1383871789.db2.gz VHGVMZZVRUBZMR-OFLPRAFFSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168319302 1383871793 /nfs/dbraw/zinc/87/17/93/1383871793.db2.gz RKSDHVSZFJLROP-UHFFFAOYSA-N 2 0 339.524 3.191 20 0 EGADRP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168323404 1383872648 /nfs/dbraw/zinc/87/26/48/1383872648.db2.gz YGGZSIWLIBBWMF-UHFFFAOYSA-N 2 0 342.531 3.295 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001168324655 1383873341 /nfs/dbraw/zinc/87/33/41/1383873341.db2.gz SVVZEWOUXWVUFJ-PNESKVBLSA-N 2 0 346.397 3.141 20 0 EGADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001168327963 1383873881 /nfs/dbraw/zinc/87/38/81/1383873881.db2.gz VNXAIDYVFAUZKF-JUVOFCAFSA-N 2 0 339.524 3.189 20 0 EGADRP CN(C(=O)c1ccccc1)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168328815 1383874072 /nfs/dbraw/zinc/87/40/72/1383874072.db2.gz CWVAJHTZQGKMHQ-UHFFFAOYSA-N 2 0 343.515 3.096 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@@H](c2ccccc2)C1 ZINC001168328247 1383874386 /nfs/dbraw/zinc/87/43/86/1383874386.db2.gz BOZZWFGLSKOCAP-DCCYDQLOSA-N 2 0 344.499 3.486 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327120 1383874400 /nfs/dbraw/zinc/87/44/00/1383874400.db2.gz QTOXJCAXBCNWQX-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](c1ccc(F)cc1)N1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168334486 1383875722 /nfs/dbraw/zinc/87/57/22/1383875722.db2.gz SWLVYQFDVFSCCT-DZIBYMRMSA-N 2 0 333.495 3.377 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335252 1383876234 /nfs/dbraw/zinc/87/62/34/1383876234.db2.gz DUDYPBZSLBVYRV-DUMMIQTOSA-N 2 0 335.536 3.093 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335913 1383877034 /nfs/dbraw/zinc/87/70/34/1383877034.db2.gz ZLLQRQGNWWZOEP-OVKVCFKUSA-N 2 0 349.563 3.483 20 0 EGADRP Clc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168366786 1383885386 /nfs/dbraw/zinc/88/53/86/1383885386.db2.gz ZVNYZXLXVQUPPY-FQEVSTJZSA-N 2 0 347.934 3.378 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168368378 1383885439 /nfs/dbraw/zinc/88/54/39/1383885439.db2.gz JCHUDHBXZHGDLL-MXVIHJGJSA-N 3 0 342.531 3.028 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168492731 1383923364 /nfs/dbraw/zinc/92/33/64/1383923364.db2.gz WFJJSYHJSGWMQO-SFHVURJKSA-N 2 0 335.511 3.106 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1CC ZINC001168595597 1383944291 /nfs/dbraw/zinc/94/42/91/1383944291.db2.gz LRVNPGWRMAHAIZ-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH+]3CCC([NH+]4CCCC4)CC3)CCO2)cc1 ZINC001168627881 1383951413 /nfs/dbraw/zinc/95/14/13/1383951413.db2.gz CFRKICJOOGVNRA-TZIWHRDSSA-N 2 0 344.499 3.476 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168667381 1383964537 /nfs/dbraw/zinc/96/45/37/1383964537.db2.gz STXYQWFUSQREOP-FQEVSTJZSA-N 2 0 347.547 3.211 20 0 EGADRP COC(=O)C1(C)CCC([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001168767281 1383995942 /nfs/dbraw/zinc/99/59/42/1383995942.db2.gz ABWQDNZOBPUHIE-UHFFFAOYSA-N 2 0 344.499 3.144 20 0 EGADRP COC(=O)C1(C)CCC([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001168789929 1384005242 /nfs/dbraw/zinc/00/52/42/1384005242.db2.gz ROASGJDXGHGETC-NRGCRIOASA-N 2 0 336.520 3.447 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)CC(C)(C)CC[NH3+] ZINC001168828532 1384022038 /nfs/dbraw/zinc/02/20/38/1384022038.db2.gz HTCWGRDVECLVFV-ARFHVFGLSA-N 2 0 341.540 3.375 20 0 EGADRP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001169081237 1384103833 /nfs/dbraw/zinc/10/38/33/1384103833.db2.gz WYKDRSISQPAXLA-NRFANRHFSA-N 2 0 331.548 3.213 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001169091251 1384105005 /nfs/dbraw/zinc/10/50/05/1384105005.db2.gz PZGMOSSMTBLYHM-NQNKBUKLSA-N 2 0 337.508 3.037 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001169091179 1384105036 /nfs/dbraw/zinc/10/50/36/1384105036.db2.gz OXUBBIYHNBLJFJ-LELZANKISA-N 2 0 327.516 3.254 20 0 EGADRP Cc1cc(F)ccc1CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169109055 1384108400 /nfs/dbraw/zinc/10/84/00/1384108400.db2.gz HFJLWCVSFHXKKV-WKCHPHFGSA-N 2 0 345.506 3.313 20 0 EGADRP COCC[N@H+](C)Cc1ccnc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169141501 1384113042 /nfs/dbraw/zinc/11/30/42/1384113042.db2.gz JWKWNKMVRQDLAC-XLIONFOSSA-N 2 0 348.535 3.115 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001308365776 1384122313 /nfs/dbraw/zinc/12/23/13/1384122313.db2.gz GMLZAXFKFIMGJN-QFIPXVFZSA-N 2 0 336.479 3.032 20 0 EGADRP CC[NH+]1CCC(N2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249360 1384127675 /nfs/dbraw/zinc/12/76/75/1384127675.db2.gz HQXVAOYAWINJSY-FQEVSTJZSA-N 2 0 345.531 3.440 20 0 EGADRP CC[NH+]1CCC(N2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001169261159 1384128854 /nfs/dbraw/zinc/12/88/54/1384128854.db2.gz BCRYNESOGFJACN-UHFFFAOYSA-N 2 0 333.495 3.206 20 0 EGADRP CC[NH+]1CCC(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001169264698 1384129419 /nfs/dbraw/zinc/12/94/19/1384129419.db2.gz RFXWLOCWXXOUQR-UHFFFAOYSA-N 2 0 333.495 3.206 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC001308671820 1384141068 /nfs/dbraw/zinc/14/10/68/1384141068.db2.gz KNWASOPTOQGSRW-GJZGRUSLSA-N 2 0 346.462 3.065 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)CC1 ZINC001169652501 1384168952 /nfs/dbraw/zinc/16/89/52/1384168952.db2.gz PUMRPNSGINPNCZ-SJORKVTESA-N 2 0 327.513 3.098 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](C(CC)CC)CC2)CC1 ZINC001169664065 1384170358 /nfs/dbraw/zinc/17/03/58/1384170358.db2.gz IRVGVLXSPPZUCX-INIZCTEOSA-N 2 0 339.524 3.240 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc[nH+]c(N2CCOCC2)c1 ZINC001169694558 1384174487 /nfs/dbraw/zinc/17/44/87/1384174487.db2.gz CLDTYCHAHAAFFW-SFHVURJKSA-N 2 0 338.455 3.158 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809600 1384187883 /nfs/dbraw/zinc/18/78/83/1384187883.db2.gz JGVOCLVLXMQMNO-MJGOQNOKSA-N 2 0 335.536 3.236 20 0 EGADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169921695 1384198771 /nfs/dbraw/zinc/19/87/71/1384198771.db2.gz AOJTZOAVGVTYGL-IBGZPJMESA-N 2 0 336.520 3.306 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001170110602 1384237629 /nfs/dbraw/zinc/23/76/29/1384237629.db2.gz ZGRMNXPXTRRBOD-HZPDHXFCSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)C1 ZINC001170137808 1384245381 /nfs/dbraw/zinc/24/53/81/1384245381.db2.gz OUMWPOYQCCPGOF-RLLQIKCJSA-N 2 0 343.515 3.326 20 0 EGADRP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CCO1 ZINC001170221411 1384268601 /nfs/dbraw/zinc/26/86/01/1384268601.db2.gz ORTKGFQVIBGKJU-VQTJNVASSA-N 2 0 343.515 3.327 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001170423075 1384315178 /nfs/dbraw/zinc/31/51/78/1384315178.db2.gz BMGPUWLKCVEOMC-QGZVFWFLSA-N 2 0 330.472 3.330 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170528949 1384335902 /nfs/dbraw/zinc/33/59/02/1384335902.db2.gz DYFMWVIIWLOKNS-NXWXRZEISA-N 2 0 348.462 3.239 20 0 EGADRP Cc1ccncc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170528456 1384336150 /nfs/dbraw/zinc/33/61/50/1384336150.db2.gz PUXAMSGGKCOVLL-UHFFFAOYSA-N 2 0 334.467 3.300 20 0 EGADRP CCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001170597709 1384347402 /nfs/dbraw/zinc/34/74/02/1384347402.db2.gz DSAITMITWGVSTO-VAMGGRTRSA-N 2 0 340.552 3.405 20 0 EGADRP CCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001170599406 1384347844 /nfs/dbraw/zinc/34/78/44/1384347844.db2.gz NTSZSMLDSQKHED-FYQPLNBISA-N 2 0 347.551 3.422 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](Nc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)C1 ZINC001170620639 1384351581 /nfs/dbraw/zinc/35/15/81/1384351581.db2.gz KNCAKQQKRXMTRW-DLBZAZTESA-N 2 0 326.488 3.488 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170756874 1384380085 /nfs/dbraw/zinc/38/00/85/1384380085.db2.gz SVGJIXRHDKZGKT-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769721 1384383061 /nfs/dbraw/zinc/38/30/61/1384383061.db2.gz NJSHBWKZCUBVOJ-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCOCC2)c1 ZINC001170800506 1384388136 /nfs/dbraw/zinc/38/81/36/1384388136.db2.gz DBCGSNKOTPROFR-GUDVDZBRSA-N 2 0 332.488 3.336 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170819715 1384391468 /nfs/dbraw/zinc/39/14/68/1384391468.db2.gz OGTZDLXWNNLJHG-QQUYBBDPSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170818484 1384391559 /nfs/dbraw/zinc/39/15/59/1384391559.db2.gz SIIBSCUSRAFTFI-YLJYHZDGSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863623 1384400853 /nfs/dbraw/zinc/40/08/53/1384400853.db2.gz WPTRQUZMOKTHDM-YQVWRLOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC001170868212 1384401288 /nfs/dbraw/zinc/40/12/88/1384401288.db2.gz QYOQSSKDAYQFHS-AZUAARDMSA-N 2 0 347.547 3.458 20 0 EGADRP C[NH+]1CCC2(C[NH+]([C@H]3CCc4ccc(Br)cc4C3)C2)CC1 ZINC001170887655 1384405819 /nfs/dbraw/zinc/40/58/19/1384405819.db2.gz XIMIUEJTLBUQCQ-KRWDZBQOSA-N 2 0 349.316 3.334 20 0 EGADRP COc1ccc2cc(Br)ccc2c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900803 1384407903 /nfs/dbraw/zinc/40/79/03/1384407903.db2.gz QANRKIBNDFUXDS-CQSZACIVSA-N 2 0 338.249 3.047 20 0 EGADRP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170971394 1384420707 /nfs/dbraw/zinc/42/07/07/1384420707.db2.gz NBMPHIUXKAQQKA-GOSISDBHSA-N 2 0 339.458 3.114 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCF)NC(=O)c1sccc1C[NH+](C)C ZINC001171069799 1384441100 /nfs/dbraw/zinc/44/11/00/1384441100.db2.gz VMXZAVQDTYVNAI-AWEZNQCLSA-N 2 0 343.512 3.048 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001316602037 1384468806 /nfs/dbraw/zinc/46/88/06/1384468806.db2.gz GFXQHFGLFKZRQT-MSOLQXFVSA-N 2 0 339.568 3.179 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235198 1384476196 /nfs/dbraw/zinc/47/61/96/1384476196.db2.gz FYIPZMTVLZRIAX-LKGOPFMKSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246613 1384477743 /nfs/dbraw/zinc/47/77/43/1384477743.db2.gz GHWBALMWGNSKQP-YLJYHZDGSA-N 2 0 345.531 3.100 20 0 EGADRP COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1ccccc1C[NH3+])CC2 ZINC001171300847 1384488983 /nfs/dbraw/zinc/48/89/83/1384488983.db2.gz MEZPZIWEROSDIW-OAHLLOKOSA-N 2 0 330.859 3.454 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001316624792 1384490075 /nfs/dbraw/zinc/49/00/75/1384490075.db2.gz OJXVOZGFAXAQRL-YRXWBPOGSA-N 2 0 337.552 3.027 20 0 EGADRP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H]3CC[NH+](C)C[C@H]3C1)CC2 ZINC001171310385 1384491753 /nfs/dbraw/zinc/49/17/53/1384491753.db2.gz JPEQGPPMECYUBK-QLFBSQMISA-N 2 0 334.891 3.089 20 0 EGADRP c1ccc(C[N@H+]2CCc3c(ccnc3NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001171326973 1384495536 /nfs/dbraw/zinc/49/55/36/1384495536.db2.gz BARXNLXWIGAHDN-IBGZPJMESA-N 2 0 336.483 3.194 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171547169 1384558645 /nfs/dbraw/zinc/55/86/45/1384558645.db2.gz RWJNHWOWVSXQNB-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)CC[C@@H]2C1)C1CCC1 ZINC001316754569 1384561178 /nfs/dbraw/zinc/56/11/78/1384561178.db2.gz NYRJDJAEDHOJKY-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001171579287 1384570503 /nfs/dbraw/zinc/57/05/03/1384570503.db2.gz SOGAEBDYUXVTTD-IBGZPJMESA-N 2 0 349.494 3.031 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2(CNC(=O)OC(C)(C)C)CC2)CC1(C)C ZINC001171630358 1384586634 /nfs/dbraw/zinc/58/66/34/1384586634.db2.gz NYFOAWIRSHHZGZ-UHFFFAOYSA-N 2 0 339.524 3.285 20 0 EGADRP CC(C)CC(=O)NC1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171636485 1384588398 /nfs/dbraw/zinc/58/83/98/1384588398.db2.gz FTWWNCNMFVUKBW-UHFFFAOYSA-N 2 0 337.552 3.265 20 0 EGADRP Cc1ccc(CC[C@@H](C)[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC001171674017 1384598156 /nfs/dbraw/zinc/59/81/56/1384598156.db2.gz ITLWSCABBKVLLG-LJQANCHMSA-N 2 0 329.532 3.028 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674619 1384598390 /nfs/dbraw/zinc/59/83/90/1384598390.db2.gz PEPVOPANIPVDNW-WRFKIARRSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@@H]1C[C@H](N(C(N)=[NH2+])c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171727465 1384615200 /nfs/dbraw/zinc/61/52/00/1384615200.db2.gz CTPRQFRSNYLLMI-KDOFPFPSSA-N 2 0 326.419 3.189 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001171731889 1384618592 /nfs/dbraw/zinc/61/85/92/1384618592.db2.gz PMNFPHSRSYQQIU-ZWKOTPCHSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171762343 1384628240 /nfs/dbraw/zinc/62/82/40/1384628240.db2.gz JIXOWKZWUNZRLK-GIVPXCGWSA-N 2 0 327.516 3.210 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCCN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171963157 1384697534 /nfs/dbraw/zinc/69/75/34/1384697534.db2.gz GYECYQXJGYEVCO-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCN2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171971373 1384699864 /nfs/dbraw/zinc/69/98/64/1384699864.db2.gz HIBHKNZMDBVLEE-LJQANCHMSA-N 2 0 347.572 3.068 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCOc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171983544 1384703326 /nfs/dbraw/zinc/70/33/26/1384703326.db2.gz PCNCTSJNMOYAHW-IBGZPJMESA-N 2 0 339.483 3.493 20 0 EGADRP C[N@@H+]1C[C@@H]2CCCN([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171985981 1384703566 /nfs/dbraw/zinc/70/35/66/1384703566.db2.gz DWKMLODEDUQBTD-PCCBWWKXSA-N 2 0 341.543 3.456 20 0 EGADRP C[N@H+]1C[C@H]2CC[C@@H](C1)N2[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988268 1384705034 /nfs/dbraw/zinc/70/50/34/1384705034.db2.gz QOAXPLFTLGXFMO-SLFFLAALSA-N 2 0 327.516 3.208 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001316935651 1384706974 /nfs/dbraw/zinc/70/69/74/1384706974.db2.gz NKBTZIFRHYXGQR-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CCOCC1)C2 ZINC001172107775 1384728208 /nfs/dbraw/zinc/72/82/08/1384728208.db2.gz CCRGBWNUIAPOLZ-BJWYYQGGSA-N 2 0 332.463 3.436 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119048 1384732257 /nfs/dbraw/zinc/73/22/57/1384732257.db2.gz RSYAAWYYUSYUAA-RDGPPVDQSA-N 2 0 349.563 3.013 20 0 EGADRP Cc1ccc(C[NH+]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172121137 1384734551 /nfs/dbraw/zinc/73/45/51/1384734551.db2.gz IAFPVKUZLSGIJV-AERCQKQUSA-N 2 0 327.516 3.128 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124950 1384734778 /nfs/dbraw/zinc/73/47/78/1384734778.db2.gz NCTIWWPYVROBMY-WJMWBRGCSA-N 2 0 327.516 3.208 20 0 EGADRP CC(C)OCC[NH+](CCOC(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123078 1384734998 /nfs/dbraw/zinc/73/49/98/1384734998.db2.gz XLYDLRCTFHGNHP-BWTSREIZSA-N 2 0 326.525 3.154 20 0 EGADRP O=C1CC[C@@H]2C[C@H]([NH2+]CC3CC[NH+](CC4CCCCC4)CC3)CCN12 ZINC001172163777 1384740803 /nfs/dbraw/zinc/74/08/03/1384740803.db2.gz XDGHAJREXIHCOI-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP COCCC[NH+]1CCC(n2cc(CC[NH3+])c3cc(C)ccc32)CC1 ZINC001172244141 1384754890 /nfs/dbraw/zinc/75/48/90/1384754890.db2.gz LJZRNCLHYLAGLD-UHFFFAOYSA-N 2 0 329.488 3.124 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCSCc2ccc(F)cc2)CC1 ZINC001172244422 1384754946 /nfs/dbraw/zinc/75/49/46/1384754946.db2.gz QSWKJJVTEWRJPK-UHFFFAOYSA-N 2 0 340.508 3.149 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1CN1CC[NH+](C)CC1 ZINC001172315185 1384767727 /nfs/dbraw/zinc/76/77/27/1384767727.db2.gz FZQXFBHSYQGVBL-RBUKOAKNSA-N 2 0 347.547 3.117 20 0 EGADRP C[C@@H]1CC[C@@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C[C@@H]1C ZINC001172376249 1384779924 /nfs/dbraw/zinc/77/99/24/1384779924.db2.gz UFLQMEFNPJUELO-FGTMMUONSA-N 2 0 330.520 3.162 20 0 EGADRP COc1ccc(CC2([NH3+])CC[NH+]([C@H](C)CCOCC(C)C)CC2)cc1 ZINC001172468495 1384798990 /nfs/dbraw/zinc/79/89/90/1384798990.db2.gz ORBNRJVSVFMGKX-GOSISDBHSA-N 2 0 348.531 3.482 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001172586283 1384815607 /nfs/dbraw/zinc/81/56/07/1384815607.db2.gz GUAOBOPKJCNSHO-MOPGFXCFSA-N 2 0 330.472 3.104 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317065021 1384835138 /nfs/dbraw/zinc/83/51/38/1384835138.db2.gz OEZSUZTWKCPMEC-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001172771434 1384848152 /nfs/dbraw/zinc/84/81/52/1384848152.db2.gz VDCMZJXTBBZDGI-PMACEKPBSA-N 2 0 344.499 3.494 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(Cc3cccnc3)CC1)CC2 ZINC001172828433 1384859998 /nfs/dbraw/zinc/85/99/98/1384859998.db2.gz MIOGBQLLYUWALQ-NRFANRHFSA-N 2 0 335.495 3.283 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(Cc3cccnc3)CC1)CC2 ZINC001172828434 1384860251 /nfs/dbraw/zinc/86/02/51/1384860251.db2.gz MIOGBQLLYUWALQ-OAQYLSRUSA-N 2 0 335.495 3.283 20 0 EGADRP C[C@@H](Cc1c(F)cccc1Cl)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001172843986 1384864086 /nfs/dbraw/zinc/86/40/86/1384864086.db2.gz ZYZUREMQSRCIKH-QMMMGPOBSA-N 2 0 348.900 3.294 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172944667 1384885662 /nfs/dbraw/zinc/88/56/62/1384885662.db2.gz XZVPXJWWTXJQNP-OAHLLOKOSA-N 2 0 327.513 3.094 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCc2ccc(OC)c(OC)c2)CC1 ZINC001173104724 1384915792 /nfs/dbraw/zinc/91/57/92/1384915792.db2.gz MCKZIOZUKLRHBA-UHFFFAOYSA-N 2 0 334.504 3.489 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3cccc(OC)n3)C2)CC1 ZINC001173113987 1384917819 /nfs/dbraw/zinc/91/78/19/1384917819.db2.gz RAPBPWZARQGLMM-ABHNRTSZSA-N 2 0 347.503 3.196 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001173355041 1384963615 /nfs/dbraw/zinc/96/36/15/1384963615.db2.gz WGLRVSMDKZQUEK-INIZCTEOSA-N 2 0 341.421 3.049 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001173354828 1384963765 /nfs/dbraw/zinc/96/37/65/1384963765.db2.gz STTYIADCBXVQGI-AWEZNQCLSA-N 2 0 341.421 3.049 20 0 EGADRP CCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001173351968 1384963813 /nfs/dbraw/zinc/96/38/13/1384963813.db2.gz BPVJYSXGFDOHEO-LJQANCHMSA-N 2 0 335.923 3.236 20 0 EGADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360160 1384964370 /nfs/dbraw/zinc/96/43/70/1384964370.db2.gz HVZOMDUPTDOIMC-QGZVKYPTSA-N 2 0 347.572 3.375 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001317199695 1384974792 /nfs/dbraw/zinc/97/47/92/1384974792.db2.gz MXHZCEQLDLZJQY-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC(n1cc(CC[NH3+])c3c[nH+]ccc31)CC2 ZINC001173605926 1384987382 /nfs/dbraw/zinc/98/73/82/1384987382.db2.gz NASDCCSTLSGKKU-RYZJOYRSSA-N 2 0 341.455 3.222 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001173630645 1384991937 /nfs/dbraw/zinc/99/19/37/1384991937.db2.gz AKNOTHNPHDFNLF-RBUKOAKNSA-N 2 0 344.499 3.144 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001173647344 1384995527 /nfs/dbraw/zinc/99/55/27/1384995527.db2.gz BIOQBGCYZGTCSU-QXAKKESOSA-N 2 0 332.488 3.205 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001173654716 1384996609 /nfs/dbraw/zinc/99/66/09/1384996609.db2.gz SSTLGYPHVBVVRN-QRVBRYPASA-N 2 0 336.520 3.449 20 0 EGADRP CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC001173786993 1385016780 /nfs/dbraw/zinc/01/67/80/1385016780.db2.gz UXLJSUKUKCCCNM-UIDNRLJLSA-N 2 0 330.472 3.498 20 0 EGADRP CC(=O)Oc1ccc(C2CCC([NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)CC2)cc1 ZINC001173792801 1385017354 /nfs/dbraw/zinc/01/73/54/1385017354.db2.gz CMIHJDFCOKAORA-JUNHRQJPSA-N 2 0 342.483 3.132 20 0 EGADRP CC(C)Oc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001174110116 1385060916 /nfs/dbraw/zinc/06/09/16/1385060916.db2.gz XDLCQWJRNLFVBI-UHFFFAOYSA-N 2 0 326.444 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001174880855 1385164050 /nfs/dbraw/zinc/16/40/50/1385164050.db2.gz IHJPOSULIRMILN-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001174880850 1385164180 /nfs/dbraw/zinc/16/41/80/1385164180.db2.gz IHJPOSULIRMILN-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(C)c(C)c1 ZINC001317478388 1385174350 /nfs/dbraw/zinc/17/43/50/1385174350.db2.gz IRJMGLBSODMFCE-HXUWFJFHSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c(C)c1 ZINC001175057140 1385187621 /nfs/dbraw/zinc/18/76/21/1385187621.db2.gz UVILCRGZGGYORR-IBGZPJMESA-N 2 0 347.547 3.328 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1)[NH+](C)C ZINC001175107684 1385196164 /nfs/dbraw/zinc/19/61/64/1385196164.db2.gz OTADFRGXIZAHTG-AZUAARDMSA-N 2 0 347.547 3.080 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317501154 1385202605 /nfs/dbraw/zinc/20/26/05/1385202605.db2.gz KDWXLORUNKDBTE-AFMYVXGZSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264767 1385234315 /nfs/dbraw/zinc/23/43/15/1385234315.db2.gz VVZIACXBVXMYFY-PKOBYXMFSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317520619 1385239191 /nfs/dbraw/zinc/23/91/91/1385239191.db2.gz PEFDUSXEBSCKMQ-HKUYNNGSSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)c1ccccc1 ZINC001317541729 1385281452 /nfs/dbraw/zinc/28/14/52/1385281452.db2.gz ZWJJXLIDXKEAMI-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176022664 1385463710 /nfs/dbraw/zinc/46/37/10/1385463710.db2.gz CKBXAGUTGHZATL-FXAWDEMLSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164646 1385500365 /nfs/dbraw/zinc/50/03/65/1385500365.db2.gz CTXVNVQQFVJXPM-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165467 1385501034 /nfs/dbraw/zinc/50/10/34/1385501034.db2.gz MPNXPDLGJNIYLR-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192848 1385507838 /nfs/dbraw/zinc/50/78/38/1385507838.db2.gz OJNPQPWSUBMOCA-INIZCTEOSA-N 2 0 334.508 3.072 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267848 1385532307 /nfs/dbraw/zinc/53/23/07/1385532307.db2.gz GIQKNJRUJQQHSF-JTHGQSKGSA-N 2 0 325.541 3.339 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176737819 1385676205 /nfs/dbraw/zinc/67/62/05/1385676205.db2.gz NHGWJKOWVQTMDO-QGZVFWFLSA-N 2 0 333.520 3.427 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001176752926 1385683121 /nfs/dbraw/zinc/68/31/21/1385683121.db2.gz BENPGYBELMVPRM-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001176754617 1385685299 /nfs/dbraw/zinc/68/52/99/1385685299.db2.gz WUWRYMRLTCBXPH-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318429729 1385685505 /nfs/dbraw/zinc/68/55/05/1385685505.db2.gz SMRVEVBNKQEAOL-MSOLQXFVSA-N 2 0 339.568 3.179 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001176884418 1385730824 /nfs/dbraw/zinc/73/08/24/1385730824.db2.gz GYDNHDQGGAHIFE-GOSISDBHSA-N 2 0 331.504 3.028 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001176884540 1385731016 /nfs/dbraw/zinc/73/10/16/1385731016.db2.gz MDIBEUVOKTWAOD-UUILKARUSA-N 2 0 343.515 3.062 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CCCC(C)(C)C)c1 ZINC001176890667 1385735687 /nfs/dbraw/zinc/73/56/87/1385735687.db2.gz ZWNZBBLZZIWVQC-UHFFFAOYSA-N 2 0 333.520 3.284 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176933881 1385747667 /nfs/dbraw/zinc/74/76/67/1385747667.db2.gz IOVGUPKYPIEIIM-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001176986014 1385764506 /nfs/dbraw/zinc/76/45/06/1385764506.db2.gz AZXKKLXDDASCOX-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001318976253 1385904720 /nfs/dbraw/zinc/90/47/20/1385904720.db2.gz MLWBZSXPTPZDBY-WGSAOQKQSA-N 2 0 337.552 3.172 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC001177336376 1385918762 /nfs/dbraw/zinc/91/87/62/1385918762.db2.gz BXRLDRLBPVIJLZ-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177415685 1385948555 /nfs/dbraw/zinc/94/85/55/1385948555.db2.gz IGSXIFMRNMBQGD-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)[NH+](C)C ZINC001177416024 1385948757 /nfs/dbraw/zinc/94/87/57/1385948757.db2.gz RGVFXMYYBZCBJU-SFHVURJKSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001177415732 1385948897 /nfs/dbraw/zinc/94/88/97/1385948897.db2.gz JUZFFHVJIMXRJF-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001177463115 1385966105 /nfs/dbraw/zinc/96/61/05/1385966105.db2.gz OTEFYDUQTKUHHS-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001177467254 1385967295 /nfs/dbraw/zinc/96/72/95/1385967295.db2.gz YIRGJBWTJWIXNH-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+]1CCCCC1 ZINC001177481128 1385972610 /nfs/dbraw/zinc/97/26/10/1385972610.db2.gz KHGKPDCFGAQFFD-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001319207960 1386006089 /nfs/dbraw/zinc/00/60/89/1386006089.db2.gz JUDIFELBRNVGNN-VQIMIIECSA-N 2 0 347.547 3.166 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CCCC1)[NH+](C)C ZINC001319374961 1386088656 /nfs/dbraw/zinc/08/86/56/1386088656.db2.gz PMSFSTAIJAANJT-QAPCUYQASA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CCCC1)[NH+](C)C ZINC001319384908 1386094883 /nfs/dbraw/zinc/09/48/83/1386094883.db2.gz FSCSYGWLKMEHIL-YFPIXMDGSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC001178170833 1386148363 /nfs/dbraw/zinc/14/83/63/1386148363.db2.gz NFRJOZBHIZYXGL-PMACEKPBSA-N 2 0 330.516 3.452 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)Cc2c[nH]cn2)CCCC1 ZINC001698633665 1406277552 /nfs/dbraw/zinc/27/75/52/1406277552.db2.gz JKSBRTCKWWYKSE-MRXNPFEDSA-N 2 0 340.471 3.040 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1)c1cccc(F)c1 ZINC001319588197 1386191734 /nfs/dbraw/zinc/19/17/34/1386191734.db2.gz CPXYKEGCBYMDGR-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178471639 1386227364 /nfs/dbraw/zinc/22/73/64/1386227364.db2.gz GTVLQIGDNJFNOL-SFHVURJKSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)(C(=O)NCCCCCC[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001178491165 1386234111 /nfs/dbraw/zinc/23/41/11/1386234111.db2.gz XGJXSAARSUMPEW-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502296 1386237254 /nfs/dbraw/zinc/23/72/54/1386237254.db2.gz KGOHUMDDYKXHIW-FBQMEGEOSA-N 2 0 349.563 3.341 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001178612140 1386262568 /nfs/dbraw/zinc/26/25/68/1386262568.db2.gz FDLRFLVJAKSHTC-GOSISDBHSA-N 2 0 345.547 3.369 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178634070 1386265143 /nfs/dbraw/zinc/26/51/43/1386265143.db2.gz NHTMXYHKKWQKAU-HXUWFJFHSA-N 2 0 345.531 3.327 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001319714906 1386265979 /nfs/dbraw/zinc/26/59/79/1386265979.db2.gz PZAHXSVAEDTMHG-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP O=C(NCCCCCC[NH2+]CCCF)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001178692991 1386279971 /nfs/dbraw/zinc/27/99/71/1386279971.db2.gz GECXOBXMFCKJAH-SFHVURJKSA-N 2 0 341.515 3.019 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698766 1386282644 /nfs/dbraw/zinc/28/26/44/1386282644.db2.gz UAWFGJAASLTKNL-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178729365 1386291666 /nfs/dbraw/zinc/29/16/66/1386291666.db2.gz VMXYFUJWGZQZMS-FQEVSTJZSA-N 2 0 345.531 3.327 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001178810350 1386314464 /nfs/dbraw/zinc/31/44/64/1386314464.db2.gz CUQPKDBKVKQLAR-RBUKOAKNSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001178832790 1386322425 /nfs/dbraw/zinc/32/24/25/1386322425.db2.gz KZXFVQLQAZNLLG-ICSRJNTNSA-N 2 0 345.531 3.498 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178947165 1386357820 /nfs/dbraw/zinc/35/78/20/1386357820.db2.gz HWTQMCMNMWDFSG-UHFFFAOYSA-N 2 0 330.476 3.404 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179079851 1386394212 /nfs/dbraw/zinc/39/42/12/1386394212.db2.gz VGMYFBVUVCSYRW-MIGHCRNESA-N 2 0 340.471 3.273 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179234355 1386428407 /nfs/dbraw/zinc/42/84/07/1386428407.db2.gz LSVICEBTCWGSAS-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)CC1 ZINC001179392282 1386473152 /nfs/dbraw/zinc/47/31/52/1386473152.db2.gz BESJXLRQXKGVHP-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001179395354 1386473867 /nfs/dbraw/zinc/47/38/67/1386473867.db2.gz LLTMYWUSWICDKP-SFHVURJKSA-N 2 0 345.531 3.356 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179399989 1386475102 /nfs/dbraw/zinc/47/51/02/1386475102.db2.gz IGKWOCDCQLFNBZ-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1cc(C)ccc1C)C1CC1)[NH+](C)C ZINC001698648809 1406298025 /nfs/dbraw/zinc/29/80/25/1406298025.db2.gz IJLCGIJTBFXSAL-PZJWPPBQSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)c1ccc(F)cc1 ZINC001179439405 1386484104 /nfs/dbraw/zinc/48/41/04/1386484104.db2.gz NUATZXIAZWITOS-IPELMVKDSA-N 2 0 349.494 3.198 20 0 EGADRP C[N@H+](CC(=O)N[C@@](C)(C[NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001698648960 1406298255 /nfs/dbraw/zinc/29/82/55/1406298255.db2.gz JUBWMAXBNZHGFD-NRFANRHFSA-N 2 0 345.531 3.039 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001179498657 1386499423 /nfs/dbraw/zinc/49/94/23/1386499423.db2.gz BIHDYKVCTYRSDD-LJQANCHMSA-N 2 0 333.520 3.039 20 0 EGADRP CCc1ccc(C[N@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)cc1 ZINC001320090399 1386504922 /nfs/dbraw/zinc/50/49/22/1386504922.db2.gz LGDIXAKWSMEVFA-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H]1C)[NH+](C)C ZINC001179554039 1386512699 /nfs/dbraw/zinc/51/26/99/1386512699.db2.gz LUEAYSVCPSSBDI-SDBALKOKSA-N 2 0 343.515 3.009 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)[NH+](CC)CC ZINC001179564875 1386516111 /nfs/dbraw/zinc/51/61/11/1386516111.db2.gz IZTXJFAULQFAFS-YUQCYMQKSA-N 2 0 331.932 3.126 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001179609140 1386530541 /nfs/dbraw/zinc/53/05/41/1386530541.db2.gz KKMWLOKNFIOEFZ-IBGZPJMESA-N 2 0 333.520 3.101 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C)c1ccccc1 ZINC001179744045 1386569080 /nfs/dbraw/zinc/56/90/80/1386569080.db2.gz DSOBXGLGZOGRPR-WDSOQIARSA-N 2 0 331.504 3.059 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749352 1386570958 /nfs/dbraw/zinc/57/09/58/1386570958.db2.gz AAMSUCNECWSMDY-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001179746819 1386571068 /nfs/dbraw/zinc/57/10/68/1386571068.db2.gz YSQUDYUNDKPIHS-GOSISDBHSA-N 2 0 325.541 3.316 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCCCCC[NH2+]CCCCCF)CC1 ZINC001179749373 1386571166 /nfs/dbraw/zinc/57/11/66/1386571166.db2.gz APXCTTKORARKTL-UHFFFAOYSA-N 2 0 343.531 3.124 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCCCCC[NH2+]CC2CCCC2)CC1 ZINC001179749633 1386571376 /nfs/dbraw/zinc/57/13/76/1386571376.db2.gz NTGFSJYDGGCIPX-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC1 ZINC001179749442 1386571937 /nfs/dbraw/zinc/57/19/37/1386571937.db2.gz DRKVMESCTXMDOQ-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179777360 1386581314 /nfs/dbraw/zinc/58/13/14/1386581314.db2.gz VFFOGWIZBWUZPG-OAHLLOKOSA-N 2 0 348.516 3.116 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001179777374 1386581986 /nfs/dbraw/zinc/58/19/86/1386581986.db2.gz VQLXNQCBNRKXTQ-QGZVFWFLSA-N 2 0 336.524 3.291 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788307 1386586810 /nfs/dbraw/zinc/58/68/10/1386586810.db2.gz VHGSCWZAQASJFO-RBUKOAKNSA-N 2 0 335.536 3.236 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@H]2C)cc1 ZINC001179987307 1386658709 /nfs/dbraw/zinc/65/87/09/1386658709.db2.gz PMNNMXPJGFBIRU-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179988242 1386659648 /nfs/dbraw/zinc/65/96/48/1386659648.db2.gz DOZAGRWDVNHXNG-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C ZINC001180095763 1386696252 /nfs/dbraw/zinc/69/62/52/1386696252.db2.gz PDGIZTVOQOHAQF-UHFFFAOYSA-N 2 0 347.547 3.493 20 0 EGADRP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001320768117 1386712918 /nfs/dbraw/zinc/71/29/18/1386712918.db2.gz XMCIJHWZUSYICX-QGZVFWFLSA-N 2 0 347.528 3.180 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001180257750 1386748876 /nfs/dbraw/zinc/74/88/76/1386748876.db2.gz XKASAEUEBFAWJF-BQFCYCMXSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001180373133 1386777950 /nfs/dbraw/zinc/77/79/50/1386777950.db2.gz XPIIYTPIGUKEGL-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1ccccc1 ZINC001321201648 1386840099 /nfs/dbraw/zinc/84/00/99/1386840099.db2.gz VHLZOIVXJORBTF-UHFFFAOYSA-N 2 0 331.548 3.356 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001698674685 1406323161 /nfs/dbraw/zinc/32/31/61/1406323161.db2.gz ROULXFDNEJLXAM-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)OC(=O)C1CC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001181276066 1386970794 /nfs/dbraw/zinc/97/07/94/1386970794.db2.gz IRKXEWKPIZILLO-LEOMRAHMSA-N 2 0 336.520 3.493 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181672684 1387036325 /nfs/dbraw/zinc/03/63/25/1387036325.db2.gz YWWDABYVIFEXGM-QLUPPNIVSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@]1(C)C[NH2+]CC1CCCCC1 ZINC001181746651 1387049700 /nfs/dbraw/zinc/04/97/00/1387049700.db2.gz SXEYOXYWFNKDDI-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001181994946 1387090157 /nfs/dbraw/zinc/09/01/57/1387090157.db2.gz CESATMGMGZIZFM-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001182018396 1387094293 /nfs/dbraw/zinc/09/42/93/1387094293.db2.gz IVZLMIPVLASFEZ-RZQQEMMASA-N 2 0 342.487 3.068 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322267941 1387128612 /nfs/dbraw/zinc/12/86/12/1387128612.db2.gz AGYCUPHZQZPEEL-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001182345502 1387153278 /nfs/dbraw/zinc/15/32/78/1387153278.db2.gz BDNGEOIYJZXEFI-SLYNCCJLSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182516508 1387181482 /nfs/dbraw/zinc/18/14/82/1387181482.db2.gz HPRSBYDXPJEHPG-QWFCFKBJSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CCc4c3cccc4F)CC2)CC1 ZINC001336068005 1389005924 /nfs/dbraw/zinc/00/59/24/1389005924.db2.gz UGUHFOQEPLWJNR-OAQYLSRUSA-N 2 0 345.506 3.303 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001329426474 1389106790 /nfs/dbraw/zinc/10/67/90/1389106790.db2.gz DIAMSRHVVQFSSA-KRWDZBQOSA-N 2 0 348.560 3.406 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001329612548 1389184303 /nfs/dbraw/zinc/18/43/03/1389184303.db2.gz NDFZJYBZCTULDN-SBHAEUEKSA-N 2 0 343.515 3.005 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc(OC(C)(C)C)cc2)CC1 ZINC001330608065 1389468294 /nfs/dbraw/zinc/46/82/94/1389468294.db2.gz LVHQVQXCCMFOPD-UHFFFAOYSA-N 2 0 348.531 3.231 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001331069554 1389619019 /nfs/dbraw/zinc/61/90/19/1389619019.db2.gz YXVYLZVJAWJBTQ-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H]1[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)CCC[NH+](C)C ZINC001331919569 1389910770 /nfs/dbraw/zinc/91/07/70/1389910770.db2.gz PZIRENWMTDEDSF-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001332066124 1389964196 /nfs/dbraw/zinc/96/41/96/1389964196.db2.gz VIUDFFUMTKYMJG-OXQOHEQNSA-N 2 0 345.531 3.377 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ccc2C)[C@@H]1C ZINC001332219375 1390050353 /nfs/dbraw/zinc/05/03/53/1390050353.db2.gz NUWTYXLKMWBMJK-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CC(C)(C)C[NH3+])c2)CC1 ZINC001340268391 1390261381 /nfs/dbraw/zinc/26/13/81/1390261381.db2.gz HDFQUSBTRTZGBM-UHFFFAOYSA-N 2 0 331.504 3.275 20 0 EGADRP COCn1ncc(C)c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001333611615 1390354688 /nfs/dbraw/zinc/35/46/88/1390354688.db2.gz JGGJLMVJTSOARN-UHFFFAOYSA-N 2 0 342.487 3.071 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001334358043 1390524557 /nfs/dbraw/zinc/52/45/57/1390524557.db2.gz WJSBUBBCKPPMBG-ZOBUZTSGSA-N 2 0 328.460 3.140 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001342063170 1390566909 /nfs/dbraw/zinc/56/69/09/1390566909.db2.gz MBFKESAJRGLIJP-ZIFCJYIRSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCCCCC2CC[NH2+]CC2)c1 ZINC001342543351 1390624474 /nfs/dbraw/zinc/62/44/74/1390624474.db2.gz JFDHORDTDUHVRQ-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(-c2cccs2)n1 ZINC001335132980 1390646647 /nfs/dbraw/zinc/64/66/47/1390646647.db2.gz AEVVSDUZOCUJPY-YQQAZPJKSA-N 2 0 344.528 3.311 20 0 EGADRP C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC001348765797 1391264134 /nfs/dbraw/zinc/26/41/34/1391264134.db2.gz KTEGGNLCIZETOL-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001698829320 1406522131 /nfs/dbraw/zinc/52/21/31/1406522131.db2.gz VWERTQXDFFVLAS-SJLPKXTDSA-N 2 0 331.504 3.059 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC001353172097 1391949272 /nfs/dbraw/zinc/94/92/72/1391949272.db2.gz VREQOKWKTUWHIM-GOSISDBHSA-N 2 0 343.515 3.190 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001480267414 1392651925 /nfs/dbraw/zinc/65/19/25/1392651925.db2.gz MQPRZCMEOLKIGJ-FQEVSTJZSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001480740238 1392905818 /nfs/dbraw/zinc/90/58/18/1392905818.db2.gz XARGVAAVNJNCPU-UYAOXDASSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849346 1392981699 /nfs/dbraw/zinc/98/16/99/1392981699.db2.gz WPLLEVPKVCXTQZ-LPHOPBHVSA-N 2 0 345.531 3.187 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001480905014 1393009520 /nfs/dbraw/zinc/00/95/20/1393009520.db2.gz PGJHJGDSRFWXGQ-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](CCNC(=O)c1sccc1C[NH+](C)C)Cc1ccccc1 ZINC001480977732 1393063197 /nfs/dbraw/zinc/06/31/97/1393063197.db2.gz SLAVKAQTCUBAIZ-UHFFFAOYSA-N 2 0 345.512 3.062 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001481299105 1393160290 /nfs/dbraw/zinc/16/02/90/1393160290.db2.gz XMHAAJLLWFSDBB-MRXNPFEDSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001481340149 1393167656 /nfs/dbraw/zinc/16/76/56/1393167656.db2.gz OTWUEAQTCGHZHA-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001698928749 1406665037 /nfs/dbraw/zinc/66/50/37/1406665037.db2.gz LSTFTLIVVPVIND-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1)C1CCCCC1 ZINC001490553682 1394254914 /nfs/dbraw/zinc/25/49/14/1394254914.db2.gz ZODCWRFCVWKIPP-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001490700915 1394299125 /nfs/dbraw/zinc/29/91/25/1394299125.db2.gz VRHDNWUEZPZDJP-SFHVURJKSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491109840 1394431091 /nfs/dbraw/zinc/43/10/91/1394431091.db2.gz NHBBGOITUQMOPL-MSOLQXFVSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001491120636 1394439604 /nfs/dbraw/zinc/43/96/04/1394439604.db2.gz PIPFKMJPAZMXPN-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccccc1 ZINC001491181091 1394461228 /nfs/dbraw/zinc/46/12/28/1394461228.db2.gz ZGBWZTBYAMPDLF-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)C2)CCCCC1 ZINC001481704653 1394462569 /nfs/dbraw/zinc/46/25/69/1394462569.db2.gz FTOXBURQGZBTTJ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482055869 1394717917 /nfs/dbraw/zinc/71/79/17/1394717917.db2.gz KWXVDUUPGXBPGV-HOHRJFBBSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001482100342 1394747012 /nfs/dbraw/zinc/74/70/12/1394747012.db2.gz DDJSBIUMAARQOH-AZUAARDMSA-N 2 0 345.531 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001482356448 1394919607 /nfs/dbraw/zinc/91/96/07/1394919607.db2.gz NSOMWAWGQADLEU-PXNSSMCTSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001482433137 1394994145 /nfs/dbraw/zinc/99/41/45/1394994145.db2.gz JDESKHIKYMNGHO-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001482954939 1395098440 /nfs/dbraw/zinc/09/84/40/1395098440.db2.gz DDIORIIZLHRWME-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001483974365 1395170699 /nfs/dbraw/zinc/17/06/99/1395170699.db2.gz AHGMSZQXSISXPR-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001484390539 1395359398 /nfs/dbraw/zinc/35/93/98/1395359398.db2.gz GPFPCBGPQDOUGX-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001484977061 1395617041 /nfs/dbraw/zinc/61/70/41/1395617041.db2.gz PNRMMYWQSQUUAV-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001485389769 1395879962 /nfs/dbraw/zinc/87/99/62/1395879962.db2.gz VJRAINTZFBXIMS-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCC1 ZINC001485427206 1395892432 /nfs/dbraw/zinc/89/24/32/1395892432.db2.gz ADEHBJJNQRVXJT-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001485483516 1395969003 /nfs/dbraw/zinc/96/90/03/1395969003.db2.gz ZRNNCQVVPKKBFH-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001485531895 1396002768 /nfs/dbraw/zinc/00/27/68/1396002768.db2.gz BGHVVLLAMCXNOK-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001485703213 1396109144 /nfs/dbraw/zinc/10/91/44/1396109144.db2.gz SULYSCGHGFBFLA-MLYOOKFZSA-N 2 0 345.531 3.127 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1)CC(C)(C)C ZINC001501170479 1396188930 /nfs/dbraw/zinc/18/89/30/1396188930.db2.gz WKIJWVIXGGNSCT-REPLKXPHSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1cccc(F)c1 ZINC001505410355 1396293993 /nfs/dbraw/zinc/29/39/93/1396293993.db2.gz IATDIZNABCUQGB-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001494294049 1396421723 /nfs/dbraw/zinc/42/17/23/1396421723.db2.gz OQQQEUMTIOTKLI-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CCn1ccnc1 ZINC001498350793 1396971794 /nfs/dbraw/zinc/97/17/94/1396971794.db2.gz TUDAZGGZOKNVPU-QGZVFWFLSA-N 2 0 342.487 3.033 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001690029056 1404267361 /nfs/dbraw/zinc/26/73/61/1404267361.db2.gz RLSAGIHGJXUDMH-KRWDZBQOSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001690176677 1404374706 /nfs/dbraw/zinc/37/47/06/1404374706.db2.gz XDJXAQZEYFBMQH-RBUKOAKNSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001690289284 1404449525 /nfs/dbraw/zinc/44/95/25/1404449525.db2.gz ANXFXJVGCQBSLF-UFYCRDLUSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001690388748 1404525562 /nfs/dbraw/zinc/52/55/62/1404525562.db2.gz PCDYNAXPIOTWQH-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001690391625 1404531513 /nfs/dbraw/zinc/53/15/13/1404531513.db2.gz FGSLTQDPSVTMPP-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP CCc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001690453184 1404580147 /nfs/dbraw/zinc/58/01/47/1404580147.db2.gz SZMKYYSBHJOBQM-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@@H]([NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1)c1ccccc1 ZINC001690542929 1404627536 /nfs/dbraw/zinc/62/75/36/1404627536.db2.gz IGRFQTQMNDMDBZ-SOAGJPPSSA-N 2 0 345.531 3.497 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC001690786997 1404733851 /nfs/dbraw/zinc/73/38/51/1404733851.db2.gz DNTORLOILRWUQG-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP CCc1ccccc1C[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690981881 1404894740 /nfs/dbraw/zinc/89/47/40/1404894740.db2.gz IOIHDIWHJGGSHT-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1 ZINC001690982140 1404896133 /nfs/dbraw/zinc/89/61/33/1404896133.db2.gz QLAFIKLURRTFMF-IEBWSBKVSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)Cc1cccc(C)c1 ZINC001691029582 1404939245 /nfs/dbraw/zinc/93/92/45/1404939245.db2.gz KRHGTLXJSVLGSU-FQEVSTJZSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001691441364 1405271413 /nfs/dbraw/zinc/27/14/13/1405271413.db2.gz OPSCDYYFAZVQEX-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](CC(=O)N1CC[C@H](C[N@H+](C)CCCC2CCCC2)C1)C1CCC1 ZINC001691966032 1405682795 /nfs/dbraw/zinc/68/27/95/1405682795.db2.gz YOKPZZWPJMWAKG-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC001731899145 1428164968 /nfs/dbraw/zinc/16/49/68/1428164968.db2.gz SIBUCZHXBCYRHV-JXFKEZNVSA-N 2 0 339.483 3.043 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001698585094 1406200622 /nfs/dbraw/zinc/20/06/22/1406200622.db2.gz JVTZHYQSFCYNQO-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP O=C(NCC[C@@H]1CC[N@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001732051375 1428290976 /nfs/dbraw/zinc/29/09/76/1428290976.db2.gz SQZOOTBFLWIFFJ-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001732090257 1428355777 /nfs/dbraw/zinc/35/57/77/1428355777.db2.gz GWLSAQLJDNJJIY-QUCCMNQESA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)C[NH2+]C[C@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001732262318 1428502738 /nfs/dbraw/zinc/50/27/38/1428502738.db2.gz ROHZYJOCGYFMDZ-UYAOXDASSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)CCC1 ZINC001732311242 1428524346 /nfs/dbraw/zinc/52/43/46/1428524346.db2.gz XHIOKPSHCRUYMK-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC2CC[NH+](CCC3CC3)CC2)CC1 ZINC001732325906 1428534387 /nfs/dbraw/zinc/53/43/87/1428534387.db2.gz IUTOWJRRGZAFRM-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001732358965 1428547291 /nfs/dbraw/zinc/54/72/91/1428547291.db2.gz ACYMFSUJVMZNDL-UYAOXDASSA-N 2 0 345.531 3.212 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001732358963 1428547377 /nfs/dbraw/zinc/54/73/77/1428547377.db2.gz ACYMFSUJVMZNDL-ICSRJNTNSA-N 2 0 345.531 3.212 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001732477405 1428603391 /nfs/dbraw/zinc/60/33/91/1428603391.db2.gz MHHZWFJIINTTDI-LJQANCHMSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001732478943 1428604890 /nfs/dbraw/zinc/60/48/90/1428604890.db2.gz XGOZKSQCLOYVSC-FQEVSTJZSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001699382756 1412692232 /nfs/dbraw/zinc/69/22/32/1412692232.db2.gz BNDJULIBNYELRA-MSOLQXFVSA-N 2 0 345.531 3.271 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001699433194 1412751883 /nfs/dbraw/zinc/75/18/83/1412751883.db2.gz NXBROLMTZWIBNN-IBGZPJMESA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699487629 1412883506 /nfs/dbraw/zinc/88/35/06/1412883506.db2.gz MBTJUFKIMYYJPB-PMACEKPBSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699487939 1412884181 /nfs/dbraw/zinc/88/41/81/1412884181.db2.gz WMJHKYBHMSPMJE-PMACEKPBSA-N 2 0 345.531 3.282 20 0 EGADRP C[N@H+](CC(=O)N[C@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001699579885 1412935780 /nfs/dbraw/zinc/93/57/80/1412935780.db2.gz UHBJPPLEOKWJSY-LJQANCHMSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CCCCCC1 ZINC001699683611 1413078518 /nfs/dbraw/zinc/07/85/18/1413078518.db2.gz OHSXUWJYXLQUEK-UHFFFAOYSA-N 2 0 335.536 3.166 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001700184053 1413601538 /nfs/dbraw/zinc/60/15/38/1413601538.db2.gz IPXGPZMYTNUCSJ-IDPBEMBBSA-N 2 0 337.552 3.290 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001700357471 1413862395 /nfs/dbraw/zinc/86/23/95/1413862395.db2.gz OGKUQDWVPKMQBV-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001700365492 1413888226 /nfs/dbraw/zinc/88/82/26/1413888226.db2.gz POFWKMIXCSZUIG-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001700477656 1414108462 /nfs/dbraw/zinc/10/84/62/1414108462.db2.gz SEMKCSSPDXXIQY-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)C2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001700695686 1414352001 /nfs/dbraw/zinc/35/20/01/1414352001.db2.gz PZTGZBYENQIWDP-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700761743 1414435014 /nfs/dbraw/zinc/43/50/14/1414435014.db2.gz RFEGPKCXEASCCQ-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001700822129 1414478642 /nfs/dbraw/zinc/47/86/42/1414478642.db2.gz NXVVOFBRIZOMKQ-FXAWDEMLSA-N 2 0 345.531 3.231 20 0 EGADRP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732594871 1428827146 /nfs/dbraw/zinc/82/71/46/1428827146.db2.gz LMQQZHXKDHIZAU-LJQANCHMSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001701024438 1414685863 /nfs/dbraw/zinc/68/58/63/1414685863.db2.gz DQZKFXZDXYMUKC-ACBHZAAOSA-N 2 0 337.552 3.122 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCCCCF)C2)c1 ZINC001713064337 1417622929 /nfs/dbraw/zinc/62/29/29/1417622929.db2.gz GADWZBRDWCGTFV-LJQANCHMSA-N 2 0 349.494 3.082 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001713135689 1417716240 /nfs/dbraw/zinc/71/62/40/1417716240.db2.gz OQGRKUSPBDPJJA-LJQANCHMSA-N 2 0 345.531 3.007 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)[NH+](CC)CC ZINC001713168772 1417742082 /nfs/dbraw/zinc/74/20/82/1417742082.db2.gz VHGZMQKNZMHWEH-QZHFEQFPSA-N 2 0 349.494 3.244 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001713222126 1417807459 /nfs/dbraw/zinc/80/74/59/1417807459.db2.gz XCELZBSPTWVYMO-RTBURBONSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001713288641 1417915975 /nfs/dbraw/zinc/91/59/75/1417915975.db2.gz AWUMGUJBJPQNOX-IVMQYODDSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001713360955 1417975852 /nfs/dbraw/zinc/97/58/52/1417975852.db2.gz SBLZRZHMBQNUSW-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713396718 1418013104 /nfs/dbraw/zinc/01/31/04/1418013104.db2.gz CSHGHNCYWPPKLW-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@@H](C)c1ccc2c(c1)CCC2)[NH+](C)C ZINC001713496322 1418206168 /nfs/dbraw/zinc/20/61/68/1418206168.db2.gz QZRIYYCHHDCEHI-OXJNMPFZSA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001713764236 1418575172 /nfs/dbraw/zinc/57/51/72/1418575172.db2.gz VLKHAEDSVMWUIX-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713792451 1418611159 /nfs/dbraw/zinc/61/11/59/1418611159.db2.gz UOIAXYPIEQDQAS-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001713793203 1418611611 /nfs/dbraw/zinc/61/16/11/1418611611.db2.gz SCTVRLFVFNJBPM-FQEVSTJZSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001713849746 1418645737 /nfs/dbraw/zinc/64/57/37/1418645737.db2.gz KPRAZEHOBKRHGU-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001713890851 1418687006 /nfs/dbraw/zinc/68/70/06/1418687006.db2.gz CEKPSXFPWUMZLH-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001713913125 1418709285 /nfs/dbraw/zinc/70/92/85/1418709285.db2.gz TWSBMTULCGASRG-ZCNNSNEGSA-N 2 0 343.515 3.155 20 0 EGADRP CCc1ccc(C[N@H+]2CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C2)cc1 ZINC001714049521 1418847608 /nfs/dbraw/zinc/84/76/08/1418847608.db2.gz JKQOVOTWRDVRQA-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001714092497 1418886729 /nfs/dbraw/zinc/88/67/29/1418886729.db2.gz WJFMXSAYGCOYIR-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CCCCC1 ZINC001714125576 1418930252 /nfs/dbraw/zinc/93/02/52/1418930252.db2.gz YXPCTHOMXTXFCG-FQEVSTJZSA-N 2 0 345.531 3.427 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)[C@H]3CC[N@H+](C)C3)CCCC2)c1 ZINC001714150741 1418957087 /nfs/dbraw/zinc/95/70/87/1418957087.db2.gz HGCCQAZLBKSDQH-HKUYNNGSSA-N 2 0 343.515 3.026 20 0 EGADRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1c(C)cccc1C)C1CC1)[NH+](C)C ZINC001714171149 1418978888 /nfs/dbraw/zinc/97/88/88/1418978888.db2.gz BFNPDSLUJIZHBE-FPOVZHCZSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@@H](C(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1)[NH+](C)C ZINC001714198135 1419003271 /nfs/dbraw/zinc/00/32/71/1419003271.db2.gz IKAOQFYYYIDHCQ-XJIUMZNISA-N 2 0 343.515 3.057 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001714306773 1419086635 /nfs/dbraw/zinc/08/66/35/1419086635.db2.gz IZKMFIKVXYASCO-MXVIHJGJSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001714412264 1419150983 /nfs/dbraw/zinc/15/09/83/1419150983.db2.gz PGPMQNFCVGAYLX-MOPGFXCFSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cccc(C)c1C[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001714573085 1419307104 /nfs/dbraw/zinc/30/71/04/1419307104.db2.gz HSYRLYZIKPGEJA-UHFFFAOYSA-N 2 0 345.531 3.118 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001714835822 1419547617 /nfs/dbraw/zinc/54/76/17/1419547617.db2.gz ZQZLONOHMSBQLZ-SJLPKXTDSA-N 2 0 339.568 3.226 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCC2)CCCCC1 ZINC001733219862 1429338839 /nfs/dbraw/zinc/33/88/39/1429338839.db2.gz ABZWSQOTYKLRMH-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001715042250 1419781407 /nfs/dbraw/zinc/78/14/07/1419781407.db2.gz BDRJYYXSQAOSMP-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715062739 1419801464 /nfs/dbraw/zinc/80/14/64/1419801464.db2.gz INDUXMMVQWLENS-SFHVURJKSA-N 2 0 345.531 3.081 20 0 EGADRP C[C@@H]([NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1)c1cccc(F)c1 ZINC001715097588 1419837538 /nfs/dbraw/zinc/83/75/38/1419837538.db2.gz HQOMOVLIFYQVRU-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001715127334 1419874946 /nfs/dbraw/zinc/87/49/46/1419874946.db2.gz QNUDAJZXMURZSU-RXVVDRJESA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H](C(=O)NCCC1CC[NH+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001715203547 1419936910 /nfs/dbraw/zinc/93/69/10/1419936910.db2.gz PONQCYLSEYMIEU-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](C(=O)NCCC1CC[NH+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001715203549 1419937055 /nfs/dbraw/zinc/93/70/55/1419937055.db2.gz PONQCYLSEYMIEU-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001715203866 1419937380 /nfs/dbraw/zinc/93/73/80/1419937380.db2.gz KNUYPXGBPXSZCX-LYBXBRPPSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001715237994 1419968377 /nfs/dbraw/zinc/96/83/77/1419968377.db2.gz DAGKCMFMKNZLIM-HKUYNNGSSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C[NH2+]Cc1ccccc1 ZINC001715243802 1419971700 /nfs/dbraw/zinc/97/17/00/1419971700.db2.gz LDADYLGPKYRWKW-SFHVURJKSA-N 2 0 345.531 3.041 20 0 EGADRP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001715337741 1420042127 /nfs/dbraw/zinc/04/21/27/1420042127.db2.gz DJKXKQLLLRENNI-XLIONFOSSA-N 2 0 345.531 3.231 20 0 EGADRP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001715539237 1420236562 /nfs/dbraw/zinc/23/65/62/1420236562.db2.gz GZPAMYOZCFCYLS-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001716074144 1420529200 /nfs/dbraw/zinc/52/92/00/1420529200.db2.gz WEEIVDKIRIBQAW-PMACEKPBSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001716184423 1420555715 /nfs/dbraw/zinc/55/57/15/1420555715.db2.gz XTHJNSOHHJIBNV-RTBURBONSA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716485002 1420703451 /nfs/dbraw/zinc/70/34/51/1420703451.db2.gz LXYFKYGSRPKWOQ-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001716492791 1420714996 /nfs/dbraw/zinc/71/49/96/1420714996.db2.gz WQONCANOMPEJMK-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCC2CCC2)CC1 ZINC001716501865 1420729010 /nfs/dbraw/zinc/72/90/10/1420729010.db2.gz JBDQVAUGEHODPQ-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCC3CCCCCC3)CC2)CCC1 ZINC001716685171 1420838995 /nfs/dbraw/zinc/83/89/95/1420838995.db2.gz RYRLUIQUVKBFFB-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001716703509 1420857115 /nfs/dbraw/zinc/85/71/15/1420857115.db2.gz BAXPPRHNVKCGAT-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](CC1CCC1)C1CCCCCC1)[NH+](C)C ZINC001716713436 1420866904 /nfs/dbraw/zinc/86/69/04/1420866904.db2.gz IXKCNZUMOJTNLU-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP C[C@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CC2CCCCC2)C1 ZINC001716854693 1420986043 /nfs/dbraw/zinc/98/60/43/1420986043.db2.gz ZVCMCQTXNAGLAD-FQEVSTJZSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1)c1ccc(CNC(=O)Cc2c[nH]cn2)cc1 ZINC001717115145 1421118925 /nfs/dbraw/zinc/11/89/25/1421118925.db2.gz JJIADHJFWRDUIR-INIZCTEOSA-N 2 0 348.450 3.119 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001717281387 1421232947 /nfs/dbraw/zinc/23/29/47/1421232947.db2.gz KBAOVTLMHUPCHQ-LIRRHRJNSA-N 2 0 342.487 3.129 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479149 1421413410 /nfs/dbraw/zinc/41/34/10/1421413410.db2.gz IJZCXKUXIABXRG-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001717500821 1421444693 /nfs/dbraw/zinc/44/46/93/1421444693.db2.gz YEWTWQAAXFAJRS-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1c(C(=O)N(C)CC[C@H]([NH2+]CC2CC2)C(C)C)ccc2c[nH+]cn21 ZINC001717513797 1421450695 /nfs/dbraw/zinc/45/06/95/1421450695.db2.gz BNEDXCIPXGDPAE-IBGZPJMESA-N 2 0 342.487 3.129 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)[C@@H]1C ZINC001717859989 1421672495 /nfs/dbraw/zinc/67/24/95/1421672495.db2.gz HGRYWVBISKFIPO-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001717873550 1421681455 /nfs/dbraw/zinc/68/14/55/1421681455.db2.gz RXXAXDQQVUFDIR-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717886036 1421688288 /nfs/dbraw/zinc/68/82/88/1421688288.db2.gz YMVQCOVGKLMRSZ-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001733453262 1429666966 /nfs/dbraw/zinc/66/69/66/1429666966.db2.gz ZGFVHEQIUVQSLP-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001733457681 1429677920 /nfs/dbraw/zinc/67/79/20/1429677920.db2.gz AETSLGPFFGREQL-HXUWFJFHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001723531578 1424454278 /nfs/dbraw/zinc/45/42/78/1424454278.db2.gz IHZKIVYSCWBUAO-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001723571841 1424470279 /nfs/dbraw/zinc/47/02/79/1424470279.db2.gz UCXXOCYKVGBUTR-MSOLQXFVSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC(CC)CC)CC2 ZINC001723700137 1424538212 /nfs/dbraw/zinc/53/82/12/1424538212.db2.gz WSMNZTJKKFKDFH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C(C)C ZINC001723965016 1424613167 /nfs/dbraw/zinc/61/31/67/1424613167.db2.gz XHQVIBBXWSGKJT-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001724022397 1424631670 /nfs/dbraw/zinc/63/16/70/1424631670.db2.gz JRQMQDNHNGASQZ-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724839072 1425187297 /nfs/dbraw/zinc/18/72/97/1425187297.db2.gz QZAOFWZQWJYSMI-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001724854772 1425223488 /nfs/dbraw/zinc/22/34/88/1425223488.db2.gz ZNGDEAYRFXNUQZ-AZUAARDMSA-N 2 0 345.531 3.321 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CCCCC2)CCCCC1 ZINC001725219137 1425787045 /nfs/dbraw/zinc/78/70/45/1425787045.db2.gz YUSAQWDVJQTJQN-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001725444338 1426105968 /nfs/dbraw/zinc/10/59/68/1426105968.db2.gz CMXFKJISDFNDAJ-RTBURBONSA-N 2 0 349.563 3.172 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001725588942 1426245092 /nfs/dbraw/zinc/24/50/92/1426245092.db2.gz QZDJQGPHMNOSDL-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001731352336 1427291660 /nfs/dbraw/zinc/29/16/60/1427291660.db2.gz MUDFCBLKICWCMY-QGZVFWFLSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001731385798 1427330143 /nfs/dbraw/zinc/33/01/43/1427330143.db2.gz NVTCPEBKOIEJEV-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001731413671 1427380731 /nfs/dbraw/zinc/38/07/31/1427380731.db2.gz LKWIVPQGGXVUJA-OAHLLOKOSA-N 2 0 337.533 3.004 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001731528169 1427517010 /nfs/dbraw/zinc/51/70/10/1427517010.db2.gz XTSYHPVHHINVBT-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731558745 1427590277 /nfs/dbraw/zinc/59/02/77/1427590277.db2.gz LSCCRCGBJQJUQP-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001731613996 1427660348 /nfs/dbraw/zinc/66/03/48/1427660348.db2.gz DNQFAXCCYXAZQS-SJORKVTESA-N 2 0 345.531 3.307 20 0 EGADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001731622104 1427673025 /nfs/dbraw/zinc/67/30/25/1427673025.db2.gz JBUIFMRDFXWFEV-MRXNPFEDSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001731622103 1427673063 /nfs/dbraw/zinc/67/30/63/1427673063.db2.gz JBUIFMRDFXWFEV-INIZCTEOSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001731719543 1427787671 /nfs/dbraw/zinc/78/76/71/1427787671.db2.gz IUVMOGIJXWQBFH-LJQANCHMSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001731720672 1427789233 /nfs/dbraw/zinc/78/92/33/1427789233.db2.gz OPEXWJBEQSXYEJ-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001731832960 1428044825 /nfs/dbraw/zinc/04/48/25/1428044825.db2.gz DYFPFYSCFPTXPL-HKUYNNGSSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731842095 1428064061 /nfs/dbraw/zinc/06/40/61/1428064061.db2.gz NYDLVHZEXIRAOS-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)c1ccc(F)cc1 ZINC001731867840 1428118025 /nfs/dbraw/zinc/11/80/25/1428118025.db2.gz XXDUAVBCGBHFLO-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C)c1ccccc1 ZINC001733921731 1437735732 /nfs/dbraw/zinc/73/57/32/1437735732.db2.gz JXGXAQGQZHQTFI-UFYCRDLUSA-N 2 0 345.531 3.449 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC001734024957 1437812913 /nfs/dbraw/zinc/81/29/13/1437812913.db2.gz DKGPLDCVJGVEMM-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2ccccc2F)C1 ZINC001734128682 1437906456 /nfs/dbraw/zinc/90/64/56/1437906456.db2.gz NTZRKKPEWMUMAH-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001734357661 1438074430 /nfs/dbraw/zinc/07/44/30/1438074430.db2.gz SNBQBTHMTJUCLB-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP CCc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C(C)C)cc1 ZINC001751974275 1440129773 /nfs/dbraw/zinc/12/97/73/1440129773.db2.gz DLDIPDFZDAZSTI-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752120812 1440142579 /nfs/dbraw/zinc/14/25/79/1440142579.db2.gz CIZHSLBHDHAKCW-SFHVURJKSA-N 2 0 331.504 3.062 20 0 EGADRP CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001752158334 1440148033 /nfs/dbraw/zinc/14/80/33/1440148033.db2.gz MWTOCZZHOAAATD-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001752159061 1440148221 /nfs/dbraw/zinc/14/82/21/1440148221.db2.gz YSIFVNHLRRUYJT-QUCCMNQESA-N 2 0 345.531 3.194 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001752159591 1440148531 /nfs/dbraw/zinc/14/85/31/1440148531.db2.gz RDYFIGRZTBGPDQ-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001752160223 1440148981 /nfs/dbraw/zinc/14/89/81/1440148981.db2.gz ZKEOFPQDULFIRZ-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001752205378 1440154028 /nfs/dbraw/zinc/15/40/28/1440154028.db2.gz FAJDZDBBMBMAOP-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001752432594 1440178910 /nfs/dbraw/zinc/17/89/10/1440178910.db2.gz VPYKARVFVJXJLI-WLMAVBAVSA-N 2 0 347.547 3.188 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001752709187 1440203217 /nfs/dbraw/zinc/20/32/17/1440203217.db2.gz ZRMAEFOFCZCRDG-SBUVDCAVSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CCCCC1 ZINC001752745134 1440204687 /nfs/dbraw/zinc/20/46/87/1440204687.db2.gz ABJQSCKNUNAMQT-HDICACEKSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001752775363 1440206717 /nfs/dbraw/zinc/20/67/17/1440206717.db2.gz ICRIXBZLJQNAQX-YSIASYRMSA-N 2 0 343.515 3.169 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001752784584 1440210752 /nfs/dbraw/zinc/21/07/52/1440210752.db2.gz FPCSMVHYXGBJSS-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752804846 1440215571 /nfs/dbraw/zinc/21/55/71/1440215571.db2.gz UAQICZWVGNKOCM-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001752820451 1440220272 /nfs/dbraw/zinc/22/02/72/1440220272.db2.gz MSKVGSUMZGSYTE-GRMGMVGISA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001752822645 1440221567 /nfs/dbraw/zinc/22/15/67/1440221567.db2.gz LOJOSYPIRKDIBK-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC)c1ccccc1 ZINC001752831053 1440225358 /nfs/dbraw/zinc/22/53/58/1440225358.db2.gz YXJZOQXQIWDMIU-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001752832531 1440226112 /nfs/dbraw/zinc/22/61/12/1440226112.db2.gz XSGIEBCJCRMPKD-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001752836069 1440227821 /nfs/dbraw/zinc/22/78/21/1440227821.db2.gz KOFFSSXPALIUIP-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752837327 1440228622 /nfs/dbraw/zinc/22/86/22/1440228622.db2.gz SCQYAQYRMGCYII-YMHTTXFNSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752841458 1440230740 /nfs/dbraw/zinc/23/07/40/1440230740.db2.gz QUMARCUQSRWMMR-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752842396 1440231322 /nfs/dbraw/zinc/23/13/22/1440231322.db2.gz ZGDYEWKODXCFBZ-WLMAVBAVSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001752850566 1440233534 /nfs/dbraw/zinc/23/35/34/1440233534.db2.gz VAEYQLGCSDIRSB-DVXKEZEUSA-N 2 0 349.563 3.480 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001752851100 1440233536 /nfs/dbraw/zinc/23/35/36/1440233536.db2.gz ZUKACJZIHVWNOJ-MHJFOBGBSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[NH2+]C1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001752853389 1440234159 /nfs/dbraw/zinc/23/41/59/1440234159.db2.gz HUROISMMDJCSHF-RJYAGPCLSA-N 2 0 341.515 3.016 20 0 EGADRP C[NH+](C)CCC(=O)NC1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001752854246 1440234485 /nfs/dbraw/zinc/23/44/85/1440234485.db2.gz YQJGWYXMLGMXOX-UXBLZVDNSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001752876589 1440238154 /nfs/dbraw/zinc/23/81/54/1440238154.db2.gz CDLKWKAPQGNTRC-OAHLLOKOSA-N 2 0 345.512 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001752894557 1440241568 /nfs/dbraw/zinc/24/15/68/1440241568.db2.gz JLGIWIWDZFQEIL-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C1CC1 ZINC001752899635 1440242589 /nfs/dbraw/zinc/24/25/89/1440242589.db2.gz DGRMRLRWABPVMM-INIZCTEOSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCCCCC1 ZINC001753020678 1440269875 /nfs/dbraw/zinc/26/98/75/1440269875.db2.gz WRRNHDLNXHNFFX-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753223077 1440340181 /nfs/dbraw/zinc/34/01/81/1440340181.db2.gz XAJIHRSZWCXVGZ-GOSISDBHSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001753265787 1440344862 /nfs/dbraw/zinc/34/48/62/1440344862.db2.gz OLKPNESCHVDIAP-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001753294502 1440351669 /nfs/dbraw/zinc/35/16/69/1440351669.db2.gz OARQMIZYECLNOM-VQTJNVASSA-N 2 0 345.531 3.451 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001753349969 1440377534 /nfs/dbraw/zinc/37/75/34/1440377534.db2.gz ZTULUPNJVKZICM-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001753448206 1440405095 /nfs/dbraw/zinc/40/50/95/1440405095.db2.gz PBDRLVIQDDQLCV-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1F ZINC001753473247 1440414606 /nfs/dbraw/zinc/41/46/06/1440414606.db2.gz GVVQDTAUDZOJJO-QGZVFWFLSA-N 2 0 349.494 3.075 20 0 EGADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001753478485 1440415739 /nfs/dbraw/zinc/41/57/39/1440415739.db2.gz KQNFOIDAXKRIQB-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001753514153 1440426922 /nfs/dbraw/zinc/42/69/22/1440426922.db2.gz CLWZJJSZABJQNU-RXVVDRJESA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001753597974 1440445450 /nfs/dbraw/zinc/44/54/50/1440445450.db2.gz ZTEAYPWIHYUMCB-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001753668448 1440461045 /nfs/dbraw/zinc/46/10/45/1440461045.db2.gz GZWAQBVDJAYKIH-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)(C)CC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001753676658 1440463445 /nfs/dbraw/zinc/46/34/45/1440463445.db2.gz AZWBWLHOIVHUFO-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753701840 1440468689 /nfs/dbraw/zinc/46/86/89/1440468689.db2.gz SGJUYEKMVGKJIF-JKSUJKDBSA-N 2 0 325.541 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCC2)C1 ZINC001753709322 1440470093 /nfs/dbraw/zinc/47/00/93/1440470093.db2.gz WEAQHCQRPGGPAC-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC2CCCC2)C1 ZINC001753709321 1440470103 /nfs/dbraw/zinc/47/01/03/1440470103.db2.gz WEAQHCQRPGGPAC-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001753745715 1440480989 /nfs/dbraw/zinc/48/09/89/1440480989.db2.gz IMKAWSACNPROOH-OALUTQOASA-N 2 0 337.552 3.314 20 0 EGADRP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001753785471 1440488102 /nfs/dbraw/zinc/48/81/02/1440488102.db2.gz UKILNNIYPULFJC-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCCC2)CC1 ZINC001753794394 1440489459 /nfs/dbraw/zinc/48/94/59/1440489459.db2.gz BFRMDIRCYDIFOR-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCCC2)CC1 ZINC001753794392 1440489468 /nfs/dbraw/zinc/48/94/68/1440489468.db2.gz BFRMDIRCYDIFOR-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1)CC1CC1 ZINC001753823288 1440496966 /nfs/dbraw/zinc/49/69/66/1440496966.db2.gz CJLGOUXROFBJSJ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001753830350 1440499522 /nfs/dbraw/zinc/49/95/22/1440499522.db2.gz VCERZFVZPZGYKL-PMACEKPBSA-N 2 0 345.531 3.098 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001753836040 1440501036 /nfs/dbraw/zinc/50/10/36/1440501036.db2.gz WOBUVFVDQBJYFE-ROUUACIJSA-N 2 0 339.568 3.273 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001753837747 1440501669 /nfs/dbraw/zinc/50/16/69/1440501669.db2.gz OSHFTDYEAANFIG-PMACEKPBSA-N 2 0 345.531 3.039 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001753887952 1440521604 /nfs/dbraw/zinc/52/16/04/1440521604.db2.gz LJWKRYMXWUOVNL-WBVHZDCISA-N 2 0 349.544 3.264 20 0 EGADRP C[C@@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753988511 1440528732 /nfs/dbraw/zinc/52/87/32/1440528732.db2.gz HFZMRWJZNZDGDD-QFBILLFUSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1 ZINC001754007381 1440530996 /nfs/dbraw/zinc/53/09/96/1440530996.db2.gz LQPWRQILPBFXRW-MJGOQNOKSA-N 2 0 335.536 3.234 20 0 EGADRP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001754071278 1440538115 /nfs/dbraw/zinc/53/81/15/1440538115.db2.gz JMXXNTFJZAXUFH-YSIASYRMSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]([NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC001754129847 1440543475 /nfs/dbraw/zinc/54/34/75/1440543475.db2.gz TWXZSJPJPVVDCL-MBVDDHJVSA-N 2 0 349.906 3.147 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001754228432 1440553726 /nfs/dbraw/zinc/55/37/26/1440553726.db2.gz HVAFXWLMEXKUOE-VQIMIIECSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C ZINC001754243931 1440556371 /nfs/dbraw/zinc/55/63/71/1440556371.db2.gz YHHVQUKTZCSNHB-RTBURBONSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001754347319 1440590020 /nfs/dbraw/zinc/59/00/20/1440590020.db2.gz XMIPLIPNANKPKG-AEFFLSMTSA-N 2 0 337.552 3.312 20 0 EGADRP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cs1 ZINC001754379832 1440593256 /nfs/dbraw/zinc/59/32/56/1440593256.db2.gz GWZUZAVTNYLSKD-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CCCC1 ZINC001754401037 1440595229 /nfs/dbraw/zinc/59/52/29/1440595229.db2.gz OKKLICJYFDPROV-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001754407761 1440595936 /nfs/dbraw/zinc/59/59/36/1440595936.db2.gz KZTOUUOKEGHBDJ-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]CCC1=CCCCC1 ZINC001754416938 1440596954 /nfs/dbraw/zinc/59/69/54/1440596954.db2.gz WKVRLDCUTOHPHN-HDICACEKSA-N 2 0 335.536 3.188 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C2CC2)c1 ZINC001754443450 1440599509 /nfs/dbraw/zinc/59/95/09/1440599509.db2.gz XYEFGQVIVLAZHC-OXJNMPFZSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001754460986 1440603437 /nfs/dbraw/zinc/60/34/37/1440603437.db2.gz FEBHOJJMQHFEKR-UXHICEINSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001754463977 1440603975 /nfs/dbraw/zinc/60/39/75/1440603975.db2.gz HHKIFAZXJACSPW-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@H](CC)C1 ZINC001754466134 1440604306 /nfs/dbraw/zinc/60/43/06/1440604306.db2.gz AZWAMCDAHQADBP-WOJBJXKFSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CCC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001754535942 1440624241 /nfs/dbraw/zinc/62/42/41/1440624241.db2.gz RJESEBJZJIQFJI-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](CC)CC ZINC001754567985 1440636258 /nfs/dbraw/zinc/63/62/58/1440636258.db2.gz YBRPYSXMZGUXDM-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001754598646 1440642015 /nfs/dbraw/zinc/64/20/15/1440642015.db2.gz KHWPRCSPSXDLEG-IAGOWNOFSA-N 2 0 339.568 3.370 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001754600818 1440642434 /nfs/dbraw/zinc/64/24/34/1440642434.db2.gz IBCDWTTUEUNNAJ-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001754615793 1440644475 /nfs/dbraw/zinc/64/44/75/1440644475.db2.gz CEHQSWFCLVRSBV-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C1CCCC1 ZINC001754652907 1440652454 /nfs/dbraw/zinc/65/24/54/1440652454.db2.gz PKGVLOKRXMCZAK-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP CCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754670255 1440657939 /nfs/dbraw/zinc/65/79/39/1440657939.db2.gz MFQOWIMDSFBDCZ-NQIIRXRSSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001754679962 1440661775 /nfs/dbraw/zinc/66/17/75/1440661775.db2.gz DKXPGYYVGOCCHH-OAQYLSRUSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001754716154 1440671477 /nfs/dbraw/zinc/67/14/77/1440671477.db2.gz LUZJNVWURWBVHF-UHFFFAOYSA-N 2 0 337.533 3.052 20 0 EGADRP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001754782754 1440686784 /nfs/dbraw/zinc/68/67/84/1440686784.db2.gz FRPICXKYSRGYMX-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001754919113 1440709045 /nfs/dbraw/zinc/70/90/45/1440709045.db2.gz MHUSJRGKMDNEQZ-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@H](F)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001754948171 1440713985 /nfs/dbraw/zinc/71/39/85/1440713985.db2.gz FZBGJBGHHWYVET-KXBFYZLASA-N 2 0 349.494 3.043 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CCC2)C1 ZINC001754985084 1440722452 /nfs/dbraw/zinc/72/24/52/1440722452.db2.gz HTGQYFZOPCBLQS-IBGZPJMESA-N 2 0 347.547 3.237 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755029376 1440730608 /nfs/dbraw/zinc/73/06/08/1440730608.db2.gz WHBDSWMSOILBMG-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001755030334 1440731233 /nfs/dbraw/zinc/73/12/33/1440731233.db2.gz XZNPWCWQHSFAEU-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001755070176 1440746279 /nfs/dbraw/zinc/74/62/79/1440746279.db2.gz VZEOXDPOJQKIIJ-RTBURBONSA-N 2 0 347.547 3.164 20 0 EGADRP CCCCC[N@@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001755102542 1440753298 /nfs/dbraw/zinc/75/32/98/1440753298.db2.gz XQGUDNKMMXJPLF-UHFFFAOYSA-N 2 0 343.515 3.293 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001755131511 1440757294 /nfs/dbraw/zinc/75/72/94/1440757294.db2.gz KSPLVLCWSRNXTN-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001755195325 1440776640 /nfs/dbraw/zinc/77/66/40/1440776640.db2.gz NLZZIGPTKAYDGD-SJORKVTESA-N 2 0 343.531 3.025 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccsc2)ccc2c[nH+]cn21 ZINC001755241659 1440789474 /nfs/dbraw/zinc/78/94/74/1440789474.db2.gz FXRYFZCUAAJFFA-STQMWFEESA-N 2 0 342.468 3.001 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001755241641 1440789511 /nfs/dbraw/zinc/78/95/11/1440789511.db2.gz FRKKEYPDNHUKDX-KGLIPLIRSA-N 2 0 330.476 3.175 20 0 EGADRP C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)[C@H](C)[NH2+]CC1CCCC1 ZINC001755245844 1440790501 /nfs/dbraw/zinc/79/05/01/1440790501.db2.gz HPZBTFRSJRGGEL-DLBZAZTESA-N 2 0 345.531 3.077 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001755281190 1440800679 /nfs/dbraw/zinc/80/06/79/1440800679.db2.gz BDIGYHYZBCWASD-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001755282882 1440801179 /nfs/dbraw/zinc/80/11/79/1440801179.db2.gz BQLLJMMUCVRVMF-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001755286964 1440802276 /nfs/dbraw/zinc/80/22/76/1440802276.db2.gz HUXLTQOVBUJEJI-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300681 1440808345 /nfs/dbraw/zinc/80/83/45/1440808345.db2.gz VWLMPHMDRBWOBZ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)CC1CC(C)(C)C1 ZINC001755327012 1440822381 /nfs/dbraw/zinc/82/23/81/1440822381.db2.gz CTDYYEFHIJJCAQ-MRXNPFEDSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)CC1=CCCCC1 ZINC001755327505 1440822502 /nfs/dbraw/zinc/82/25/02/1440822502.db2.gz IRSNUIMPCJYIEF-GOSISDBHSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)[C@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CC1 ZINC001755339969 1440824778 /nfs/dbraw/zinc/82/47/78/1440824778.db2.gz QISWBUICEUUDEW-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755358122 1440830483 /nfs/dbraw/zinc/83/04/83/1440830483.db2.gz LRJLIZZLNWWRAT-NZSAHSFTSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCC1)C1CCC1 ZINC001755363200 1440832779 /nfs/dbraw/zinc/83/27/79/1440832779.db2.gz DLFKHZASCCCXBX-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001755379973 1440839229 /nfs/dbraw/zinc/83/92/29/1440839229.db2.gz WRHCVDPLXHAJLY-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001755414279 1440847837 /nfs/dbraw/zinc/84/78/37/1440847837.db2.gz SXARHOCTCBNWLI-QAZIKRLUSA-N 2 0 337.552 3.146 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1 ZINC001755453591 1440854522 /nfs/dbraw/zinc/85/45/22/1440854522.db2.gz QOAPFQXWGSFSOD-SLFFLAALSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC=C(C)C)C[C@]2(C)C1)[NH+](CC)CC ZINC001755460095 1440856961 /nfs/dbraw/zinc/85/69/61/1440856961.db2.gz BTXHJGYLTRDQQJ-SESVDKBCSA-N 2 0 349.563 3.243 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@]2(C)C[N@H+](CC3CCCCC3)C[C@]2(C)C1 ZINC001755461691 1440857538 /nfs/dbraw/zinc/85/75/38/1440857538.db2.gz DDIYNIWIAGVNAJ-OYRHEFFESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001755475613 1440859381 /nfs/dbraw/zinc/85/93/81/1440859381.db2.gz GHWXALLVIKGVRF-IYARVYRRSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001755513198 1440863790 /nfs/dbraw/zinc/86/37/90/1440863790.db2.gz ZOSMTOTWYKLHAJ-SFHVURJKSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001755566915 1440876034 /nfs/dbraw/zinc/87/60/34/1440876034.db2.gz DFUGDLWGHHZHGI-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001755664585 1440893184 /nfs/dbraw/zinc/89/31/84/1440893184.db2.gz OCIYVQJGCJMOBM-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001755667361 1440893559 /nfs/dbraw/zinc/89/35/59/1440893559.db2.gz TXSUZAZJDLZLCR-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001755691976 1440896858 /nfs/dbraw/zinc/89/68/58/1440896858.db2.gz FIJHASOYZITRRL-LPHOPBHVSA-N 2 0 331.504 3.131 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCCC(C)C)CC3)CC[N@@H+]1C ZINC001755702273 1440900807 /nfs/dbraw/zinc/90/08/07/1440900807.db2.gz PAWSZPLBOYZCMU-YOUFYPILSA-N 2 0 349.563 3.266 20 0 EGADRP CCc1ccccc1C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001755722766 1440908108 /nfs/dbraw/zinc/90/81/08/1440908108.db2.gz SYOZJAUVZCMMDF-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1)[NH+](CC)CC ZINC001755762275 1440915246 /nfs/dbraw/zinc/91/52/46/1440915246.db2.gz ZMPXMWHXECBZKX-RBUKOAKNSA-N 2 0 345.531 3.134 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001755775808 1440917226 /nfs/dbraw/zinc/91/72/26/1440917226.db2.gz RDECSPSLZPKUGS-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755810947 1440920407 /nfs/dbraw/zinc/92/04/07/1440920407.db2.gz RBXVXHKJKPXUAD-GOSISDBHSA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001755890191 1440941051 /nfs/dbraw/zinc/94/10/51/1440941051.db2.gz BPAXYOYEAVRSEC-SFHVURJKSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755890419 1440941362 /nfs/dbraw/zinc/94/13/62/1440941362.db2.gz GXYCOGWKXKIQPJ-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2=CC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001755894356 1440942344 /nfs/dbraw/zinc/94/23/44/1440942344.db2.gz QKWKVVOUDYVIBR-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP c1cc2c[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cc2[nH]1 ZINC001164953279 722013795 /nfs/dbraw/zinc/01/37/95/722013795.db2.gz DHHSKAQTRCLOFR-UHFFFAOYSA-N 2 0 347.466 3.450 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000368131455 168314547 /nfs/dbraw/zinc/31/45/47/168314547.db2.gz AGNFZDFMUVELMJ-INIZCTEOSA-N 2 0 328.460 3.142 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(I)cc1 ZINC000051694175 214100586 /nfs/dbraw/zinc/10/05/86/214100586.db2.gz XHTGZOFTJBKLOI-FNBIGBAISA-N 2 0 344.240 3.212 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531041 168369211 /nfs/dbraw/zinc/36/92/11/168369211.db2.gz SDYKAFBJIQXQGT-HLAWJBBLSA-N 2 0 329.532 3.219 20 0 EGADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000181703405 529501051 /nfs/dbraw/zinc/50/10/51/529501051.db2.gz WAAVXWJVWXHPAD-HZPDHXFCSA-N 2 0 329.488 3.282 20 0 EGADRP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000221823467 282308650 /nfs/dbraw/zinc/30/86/50/282308650.db2.gz MEZWMNWDJYIFIK-BEFAXECRSA-N 2 0 344.528 3.382 20 0 EGADRP C[NH+](C)CCCOc1cccc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184237882 235343429 /nfs/dbraw/zinc/34/34/29/235343429.db2.gz BTJYOYMBEYTFPK-UHFFFAOYSA-N 2 0 347.503 3.255 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000367625241 283135053 /nfs/dbraw/zinc/13/50/53/283135053.db2.gz XLHCVMUNXABDJB-FGTMMUONSA-N 2 0 349.519 3.016 20 0 EGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000186574108 201040287 /nfs/dbraw/zinc/04/02/87/201040287.db2.gz DYLLAMQNOFIDDX-NJYVYQBISA-N 2 0 329.532 3.359 20 0 EGADRP [NH3+]CCCCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237988901 201151438 /nfs/dbraw/zinc/15/14/38/201151438.db2.gz YEIMAGGDMCGXKD-LJQANCHMSA-N 2 0 331.504 3.067 20 0 EGADRP CCCn1ncnc1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282489622 201335067 /nfs/dbraw/zinc/33/50/67/201335067.db2.gz MIXZMBUYQACCMZ-SFHVURJKSA-N 2 0 341.503 3.078 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCO[C@@H]1CCCCO1 ZINC000193120016 240030563 /nfs/dbraw/zinc/03/05/63/240030563.db2.gz QQYLAYSEEXOHSW-XSONFBQWSA-N 2 0 346.515 3.276 20 0 EGADRP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1Br ZINC000231464075 242267287 /nfs/dbraw/zinc/26/72/87/242267287.db2.gz VHXJWPXHKMFRNL-ZDUSSCGKSA-N 2 0 327.266 3.032 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236713933 242331507 /nfs/dbraw/zinc/33/15/07/242331507.db2.gz ANLVJQMPQKYVBF-YLJYHZDGSA-N 2 0 345.531 3.197 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000236727409 242337075 /nfs/dbraw/zinc/33/70/75/242337075.db2.gz SCQSNBUVYKBVLA-RTBURBONSA-N 2 0 331.504 3.052 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000363391321 284054951 /nfs/dbraw/zinc/05/49/51/284054951.db2.gz QOAXWIJMSFBAFE-LJQANCHMSA-N 2 0 341.499 3.029 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000262626340 245074088 /nfs/dbraw/zinc/07/40/88/245074088.db2.gz FZPMROGJDVIRHE-VQIMIIECSA-N 2 0 339.483 3.240 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262680021 245115853 /nfs/dbraw/zinc/11/58/53/245115853.db2.gz WHIHPTXPCJCGKT-KPFFTGBYSA-N 2 0 331.504 3.015 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1)C(C)C ZINC000262651297 245098169 /nfs/dbraw/zinc/09/81/69/245098169.db2.gz XPOYUQLWDUUAIR-OALUTQOASA-N 2 0 331.504 3.164 20 0 EGADRP COc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1OC(F)F ZINC000104098821 204096736 /nfs/dbraw/zinc/09/67/36/204096736.db2.gz NMYPUXFVCKQMGD-AWEZNQCLSA-N 2 0 328.403 3.070 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cnn(C)c1 ZINC000125448819 205009974 /nfs/dbraw/zinc/00/99/74/205009974.db2.gz DRWNMHZBQBYLFR-GOSISDBHSA-N 2 0 332.517 3.435 20 0 EGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000126009968 205035597 /nfs/dbraw/zinc/03/55/97/205035597.db2.gz ZXEGAGGAOBYOLX-PBHICJAKSA-N 2 0 340.533 3.107 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1F ZINC000128442384 205147498 /nfs/dbraw/zinc/14/74/98/205147498.db2.gz XSKXXFDVXCLZCC-GOSISDBHSA-N 2 0 325.447 3.033 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000129301372 205189563 /nfs/dbraw/zinc/18/95/63/205189563.db2.gz LKDZVCHBENTKJL-XJKSGUPXSA-N 2 0 330.394 3.338 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)Cc3ccccc3)CC2)C1 ZINC000130415828 205239745 /nfs/dbraw/zinc/23/97/45/205239745.db2.gz WFTXAZNICODSCC-DZFGPLHGSA-N 2 0 330.516 3.223 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132510145 205328764 /nfs/dbraw/zinc/32/87/64/205328764.db2.gz HPHNWBQVFHTERJ-DBXWQHBBSA-N 2 0 347.547 3.049 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cncc(F)c1 ZINC000132766418 205340766 /nfs/dbraw/zinc/34/07/66/205340766.db2.gz YVIYKLUCCGEHHU-HNNXBMFYSA-N 2 0 343.446 3.028 20 0 EGADRP c1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000132775849 205341678 /nfs/dbraw/zinc/34/16/78/205341678.db2.gz VOGOLYBWGBKFMO-NQIIRXRSSA-N 2 0 328.500 3.098 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccncc3)cc2)CC1 ZINC000156465846 206081376 /nfs/dbraw/zinc/08/13/76/206081376.db2.gz DPRKGKYBFUWGIS-GOSISDBHSA-N 2 0 338.499 3.070 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000156929122 206108517 /nfs/dbraw/zinc/10/85/17/206108517.db2.gz ALVZZKYOLXPTLD-KXBFYZLASA-N 2 0 348.512 3.247 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000268764269 252213210 /nfs/dbraw/zinc/21/32/10/252213210.db2.gz IRTLXFISOZAAKM-RTWAWAEBSA-N 2 0 345.506 3.049 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)C[NH+]1CCCCC1 ZINC000268801360 252256199 /nfs/dbraw/zinc/25/61/99/252256199.db2.gz QFMZPQUXKVTCJR-MOPGFXCFSA-N 2 0 345.531 3.296 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268794527 252246693 /nfs/dbraw/zinc/24/66/93/252246693.db2.gz ZJVCBYUITGYREY-SFHVURJKSA-N 2 0 345.531 3.294 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268820831 252270931 /nfs/dbraw/zinc/27/09/31/252270931.db2.gz NZOAVAPYHPYACC-OAQYLSRUSA-N 2 0 345.531 3.080 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000268861121 252310618 /nfs/dbraw/zinc/31/06/18/252310618.db2.gz VOLALZJDXOHWKZ-BBWFWOEESA-N 2 0 332.488 3.257 20 0 EGADRP Brc1cncc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000339500265 532978488 /nfs/dbraw/zinc/97/84/88/532978488.db2.gz YXYXCYRULGSBFU-UHFFFAOYSA-N 2 0 326.282 3.200 20 0 EGADRP CC[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC000345210164 285095108 /nfs/dbraw/zinc/09/51/08/285095108.db2.gz QOWWKWAURKVVOM-HNNXBMFYSA-N 2 0 338.879 3.465 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1F ZINC000180644757 258014916 /nfs/dbraw/zinc/01/49/16/258014916.db2.gz PHPVIVWZSIHPRO-YJBOKZPZSA-N 2 0 328.431 3.243 20 0 EGADRP CC1(C)C[C@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C[N@@H+]1Cc1ccccc1 ZINC000677803941 549333912 /nfs/dbraw/zinc/33/39/12/549333912.db2.gz CBJJYZJESZWFME-UFYCRDLUSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237605464 141009954 /nfs/dbraw/zinc/00/99/54/141009954.db2.gz NAHHHMKBPWHWLV-ZIFCJYIRSA-N 2 0 345.531 3.258 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000347974662 141227031 /nfs/dbraw/zinc/22/70/31/141227031.db2.gz UZURVCVXSNYQMP-OAQYLSRUSA-N 2 0 326.484 3.017 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc4cc[nH]c43)CC2)CC1 ZINC000350553788 141252366 /nfs/dbraw/zinc/25/23/66/141252366.db2.gz IPJFFVJKONNXSN-UHFFFAOYSA-N 2 0 340.515 3.017 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353465400 141303205 /nfs/dbraw/zinc/30/32/05/141303205.db2.gz UDBZPLVVTFCLAS-KZNAEPCWSA-N 2 0 341.503 3.286 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000356317282 141340328 /nfs/dbraw/zinc/34/03/28/141340328.db2.gz HPJLPGWCZRZSGS-QGZVFWFLSA-N 2 0 333.520 3.052 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)N2CCCC2)c1 ZINC000356851000 141354417 /nfs/dbraw/zinc/35/44/17/141354417.db2.gz QPQBINJUEMCIML-QRFRQXIXSA-N 2 0 332.488 3.237 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356851101 141354642 /nfs/dbraw/zinc/35/46/42/141354642.db2.gz QUAOJIBGMHFWRO-AWEZNQCLSA-N 2 0 333.476 3.036 20 0 EGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000357957094 141367524 /nfs/dbraw/zinc/36/75/24/141367524.db2.gz XMJUNQIFSMUHKP-IBGZPJMESA-N 2 0 345.531 3.150 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)CC1 ZINC000189114321 296540285 /nfs/dbraw/zinc/54/02/85/296540285.db2.gz VJMWXFHCFYVXLH-FQEVSTJZSA-N 2 0 328.500 3.456 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN(Cc2ccccc2)C1 ZINC000344723523 144215548 /nfs/dbraw/zinc/21/55/48/144215548.db2.gz KWJAJWSSBIBESP-AZUAARDMSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847528 144315905 /nfs/dbraw/zinc/31/59/05/144315905.db2.gz AEMZAPSCIWNONL-HZPDHXFCSA-N 2 0 339.439 3.087 20 0 EGADRP CO[C@]1(C)CCC[N@H+](C[C@@H](C)C[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361434286 286160238 /nfs/dbraw/zinc/16/02/38/286160238.db2.gz MJAIBSZWLYMLKD-OWZKRDHZSA-N 2 0 340.552 3.405 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118770045 152152579 /nfs/dbraw/zinc/15/25/79/152152579.db2.gz MUGYGDMMAYUFIT-HNNXBMFYSA-N 2 0 343.471 3.099 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc2)n1 ZINC000118841875 152156128 /nfs/dbraw/zinc/15/61/28/152156128.db2.gz ABCKWYQYDXQNAK-IBGZPJMESA-N 2 0 326.488 3.263 20 0 EGADRP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000118868307 152159513 /nfs/dbraw/zinc/15/95/13/152159513.db2.gz DUUBEVKXLRPMLC-INIZCTEOSA-N 2 0 347.503 3.076 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121050598 152320753 /nfs/dbraw/zinc/32/07/53/152320753.db2.gz DGGHFEFEMKAQQS-GHTZIAJQSA-N 2 0 329.532 3.348 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157028173 152693785 /nfs/dbraw/zinc/69/37/85/152693785.db2.gz GTSACGFZZZVGDW-MRXNPFEDSA-N 2 0 334.504 3.219 20 0 EGADRP CCN(C)c1ccc(C[NH2+]C[C@@H](C)N(C)Cc2ccccc2)cn1 ZINC000190993509 153170487 /nfs/dbraw/zinc/17/04/87/153170487.db2.gz GFRZHPAULQGBEQ-QGZVFWFLSA-N 2 0 326.488 3.148 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000191536183 153206463 /nfs/dbraw/zinc/20/64/63/153206463.db2.gz LYJMBJNPKUIANW-DXCKQFNASA-N 2 0 347.894 3.047 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262208935 153798068 /nfs/dbraw/zinc/79/80/68/153798068.db2.gz DTIMNPKPYZAHBJ-SETITPSXSA-N 2 0 349.563 3.013 20 0 EGADRP CN(CC[N@H+](C)CCSC1CCCCC1)C1CC[NH+](C)CC1 ZINC000337303989 154272839 /nfs/dbraw/zinc/27/28/39/154272839.db2.gz RBXLYPQYIDELSU-UHFFFAOYSA-N 2 0 327.582 3.010 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C[C@@H]21 ZINC000346818047 156150007 /nfs/dbraw/zinc/15/00/07/156150007.db2.gz AILZHJNAUOFUKA-KCQAQPDRSA-N 2 0 346.368 3.326 20 0 EGADRP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000105458829 162056430 /nfs/dbraw/zinc/05/64/30/162056430.db2.gz PFBJOHAYDIOEKZ-UHFFFAOYSA-N 2 0 346.393 3.068 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@@H](C)O1 ZINC000112686469 162186766 /nfs/dbraw/zinc/18/67/66/162186766.db2.gz YMFYDXQWABVHKO-QZTJIDSGSA-N 2 0 345.531 3.074 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(Cl)ccc1OC ZINC000151803237 162603507 /nfs/dbraw/zinc/60/35/07/162603507.db2.gz QRCUVAMSKGMBDU-KRWDZBQOSA-N 2 0 340.895 3.094 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248969253 163047895 /nfs/dbraw/zinc/04/78/95/163047895.db2.gz CGUJRMAGUZCWFB-SRHPJPHMSA-N 2 0 328.500 3.038 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327937 163210961 /nfs/dbraw/zinc/21/09/61/163210961.db2.gz PJEOKHDDNKWWDR-WOJBJXKFSA-N 2 0 329.532 3.361 20 0 EGADRP CC1(C)CCC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000338610028 163291130 /nfs/dbraw/zinc/29/11/30/163291130.db2.gz QCXSEISIXDUSQU-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP Cc1ccc(CCC[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000354350630 166007381 /nfs/dbraw/zinc/00/73/81/166007381.db2.gz FZVSGHIGJMSYEU-JOCHJYFZSA-N 2 0 337.511 3.477 20 0 EGADRP C(=C/c1ccccc1)\C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000338715823 163328849 /nfs/dbraw/zinc/32/88/49/163328849.db2.gz IMHFTNOHFHSTLB-KPKJPENVSA-N 2 0 335.495 3.107 20 0 EGADRP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccnn2C)c1 ZINC000338947957 163398832 /nfs/dbraw/zinc/39/88/32/163398832.db2.gz JUOHBQRUXCAXHK-QGZVFWFLSA-N 2 0 326.488 3.169 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccco1 ZINC000354784660 166030527 /nfs/dbraw/zinc/03/05/27/166030527.db2.gz NJGYUQRJRKCOCD-PKOBYXMFSA-N 2 0 349.519 3.289 20 0 EGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000343817068 164041782 /nfs/dbraw/zinc/04/17/82/164041782.db2.gz UTHAPBRDVFMDAZ-HUUCEWRRSA-N 2 0 340.895 3.328 20 0 EGADRP CC1CC([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C1 ZINC000343840895 164048367 /nfs/dbraw/zinc/04/83/67/164048367.db2.gz UTUOUEGHPXTEAG-UHFFFAOYSA-N 2 0 341.421 3.345 20 0 EGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)s1 ZINC000343950287 164071822 /nfs/dbraw/zinc/07/18/22/164071822.db2.gz ZHOAXRDTCZYVCN-CYBMUJFWSA-N 2 0 348.516 3.200 20 0 EGADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000344120358 164107763 /nfs/dbraw/zinc/10/77/63/164107763.db2.gz ZOPGSVQKNMVALJ-RBUKOAKNSA-N 2 0 331.504 3.481 20 0 EGADRP COC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000344305603 164151279 /nfs/dbraw/zinc/15/12/79/164151279.db2.gz VMJPPWZYJRNRRZ-INIZCTEOSA-N 2 0 328.378 3.244 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000344600952 164196809 /nfs/dbraw/zinc/19/68/09/164196809.db2.gz JCZOOXLMYUZFIE-SJLPKXTDSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)[NH+](CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(C)C ZINC000345654992 164235479 /nfs/dbraw/zinc/23/54/79/164235479.db2.gz GHFOOMUWBODYRC-UHFFFAOYSA-N 2 0 340.471 3.096 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000345806436 164268713 /nfs/dbraw/zinc/26/87/13/164268713.db2.gz YITXHSUJXZFRDF-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)cc1)C(C)C ZINC000345915447 164293839 /nfs/dbraw/zinc/29/38/39/164293839.db2.gz YMXNRKRAUDGXPE-ZWKOTPCHSA-N 2 0 345.531 3.472 20 0 EGADRP Fc1ccc(CNc2nc3ccccc3n2CCCn2ccnc2)cc1 ZINC000346342163 164371783 /nfs/dbraw/zinc/37/17/83/164371783.db2.gz DWUBKFZMYGOIIT-UHFFFAOYSA-N 2 0 349.413 3.496 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095968973 287068167 /nfs/dbraw/zinc/06/81/67/287068167.db2.gz DRHOZISCJCUKSI-CCKFTAQKSA-N 2 0 344.503 3.494 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(Br)cc1F ZINC000350318676 165029344 /nfs/dbraw/zinc/02/93/44/165029344.db2.gz OOBHXGQLTARXRY-UHFFFAOYSA-N 2 0 347.272 3.036 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCCO2)[C@H](C)C1 ZINC000354989412 166080619 /nfs/dbraw/zinc/08/06/19/166080619.db2.gz YVHQOECPKRLLTK-QRVBRYPASA-N 2 0 326.525 3.062 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000351620695 165104256 /nfs/dbraw/zinc/10/42/56/165104256.db2.gz QRIYLRCZGVIXGJ-PKOBYXMFSA-N 2 0 329.488 3.212 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000352156557 165263442 /nfs/dbraw/zinc/26/34/42/165263442.db2.gz LOMPYSXHGZYTFP-GOSISDBHSA-N 2 0 349.544 3.341 20 0 EGADRP Cc1[nH+]ccc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1Cl ZINC000355103734 166107237 /nfs/dbraw/zinc/10/72/37/166107237.db2.gz VSKOLNUTALPVGR-UHFFFAOYSA-N 2 0 336.911 3.038 20 0 EGADRP COc1ccc2cc(C[NH+]3CCC(OCC[NH+](C)C)CC3)ccc2c1 ZINC000353527027 165793287 /nfs/dbraw/zinc/79/32/87/165793287.db2.gz KRWNTPONHFDJJX-UHFFFAOYSA-N 2 0 342.483 3.391 20 0 EGADRP c1[nH]nc2c1cccc2C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355338768 166169215 /nfs/dbraw/zinc/16/92/15/166169215.db2.gz TYUIMOSNVJPEBL-PMACEKPBSA-N 2 0 332.451 3.127 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355378028 166179979 /nfs/dbraw/zinc/17/99/79/166179979.db2.gz YVARYYDZLKKICR-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000355599877 166256965 /nfs/dbraw/zinc/25/69/65/166256965.db2.gz OSHFDIQZVVOWBX-OAQYLSRUSA-N 2 0 345.531 3.220 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000355807191 166314975 /nfs/dbraw/zinc/31/49/75/166314975.db2.gz GOBWHVUVLINRKJ-HLIPFELVSA-N 2 0 343.515 3.226 20 0 EGADRP C[NH+]1CCC(Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000355846000 166326356 /nfs/dbraw/zinc/32/63/56/166326356.db2.gz MTVUSFXJBHEPFX-UHFFFAOYSA-N 2 0 344.503 3.007 20 0 EGADRP CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+](C)C ZINC000359213012 167096650 /nfs/dbraw/zinc/09/66/50/167096650.db2.gz OGIZPCQLCPWDPN-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000359251701 167106547 /nfs/dbraw/zinc/10/65/47/167106547.db2.gz NZCZLPRVZQYWQL-PMACEKPBSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000359737818 167218817 /nfs/dbraw/zinc/21/88/17/167218817.db2.gz URKFBBFFXIHSMH-XJKSGUPXSA-N 2 0 330.394 3.195 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000359867342 167253777 /nfs/dbraw/zinc/25/37/77/167253777.db2.gz BWKMXYFQXITTLV-WMZOPIPTSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1csc(Cl)c1 ZINC000364917729 168001391 /nfs/dbraw/zinc/00/13/91/168001391.db2.gz QUXPGCCUICIACJ-TZMCWYRMSA-N 2 0 327.925 3.221 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000366195280 168092772 /nfs/dbraw/zinc/09/27/72/168092772.db2.gz UYZPKXIZDIEYNV-SFHVURJKSA-N 2 0 337.458 3.225 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3nc(-c4ccccc4F)no3)C2)CC1 ZINC000366878429 168151515 /nfs/dbraw/zinc/15/15/15/168151515.db2.gz DTIFQKVBPBJQPU-UHFFFAOYSA-N 2 0 344.434 3.184 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](c4nccn4C)C3)s2)cn1 ZINC000367348356 168212044 /nfs/dbraw/zinc/21/20/44/168212044.db2.gz HXLUZHOMVPESBK-AWEZNQCLSA-N 2 0 341.484 3.262 20 0 EGADRP Clc1c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1Cc1ccccc1 ZINC000367401502 168220714 /nfs/dbraw/zinc/22/07/14/168220714.db2.gz ZPBVFLQQQQLOAU-MSOLQXFVSA-N 2 0 344.890 3.301 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000174411498 265047356 /nfs/dbraw/zinc/04/73/56/265047356.db2.gz GJLNBHKYXYBEFB-SFHVURJKSA-N 2 0 345.531 3.134 20 0 EGADRP CCC[NH+]1CCC(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177297797 265246692 /nfs/dbraw/zinc/24/66/92/265246692.db2.gz WAFSAOQQBVRBGW-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)CCS2 ZINC000187175206 265580584 /nfs/dbraw/zinc/58/05/84/265580584.db2.gz JYQTZXKHOVKMDV-SFHVURJKSA-N 2 0 334.529 3.134 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000192446051 265969593 /nfs/dbraw/zinc/96/95/93/265969593.db2.gz FRFVMQOAUZWCOQ-UHFFFAOYSA-N 2 0 336.520 3.351 20 0 EGADRP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC([NH3+])CC2)cc1 ZINC000236700984 266212369 /nfs/dbraw/zinc/21/23/69/266212369.db2.gz IKVAZTYBPLBQAI-IBGZPJMESA-N 2 0 343.515 3.071 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236760117 266213147 /nfs/dbraw/zinc/21/31/47/266213147.db2.gz LOZNMJPMSIEZSE-WDSOQIARSA-N 2 0 331.504 3.015 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000236919434 266220669 /nfs/dbraw/zinc/22/06/69/266220669.db2.gz YACWLSNJZKHLPS-RYRKJORJSA-N 2 0 331.504 3.140 20 0 EGADRP [NH3+]CC1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCC1 ZINC000238054306 266254192 /nfs/dbraw/zinc/25/41/92/266254192.db2.gz CWYVCBJAWHCLNL-KRWDZBQOSA-N 2 0 349.906 3.112 20 0 EGADRP C[N@@H+](CCc1ccc(Br)cc1)CCC1CC[NH2+]CC1 ZINC000258959129 266264252 /nfs/dbraw/zinc/26/42/52/266264252.db2.gz JITIMADLLPSOCY-UHFFFAOYSA-N 2 0 325.294 3.313 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000273578158 267062889 /nfs/dbraw/zinc/06/28/89/267062889.db2.gz MFJGIBQJOGMSJU-HNAYVOBHSA-N 2 0 335.923 3.191 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274884339 267302119 /nfs/dbraw/zinc/30/21/19/267302119.db2.gz IBLPTXFZOZWVSS-ILZDJORESA-N 2 0 344.524 3.456 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278488228 268024236 /nfs/dbraw/zinc/02/42/36/268024236.db2.gz PHOUBWWVBPVYNV-INIZCTEOSA-N 2 0 343.515 3.430 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CCCc1c(F)cccc1Cl ZINC000278525755 268032049 /nfs/dbraw/zinc/03/20/49/268032049.db2.gz TWOABFBKYSAXLM-OAHLLOKOSA-N 2 0 342.886 3.238 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127574523 274225775 /nfs/dbraw/zinc/22/57/75/274225775.db2.gz ZSIJFGIFMXUTIU-KXBFYZLASA-N 2 0 335.923 3.333 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046426957 275137185 /nfs/dbraw/zinc/13/71/85/275137185.db2.gz FDDSDVOMDUIQTG-CALCHBBNSA-N 2 0 346.519 3.238 20 0 EGADRP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000189025870 275219279 /nfs/dbraw/zinc/21/92/79/275219279.db2.gz FGXOFWJDVNSQJV-YUXAGFNASA-N 2 0 338.495 3.324 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271901595 275239979 /nfs/dbraw/zinc/23/99/79/275239979.db2.gz VQEZWTITNWDNCZ-MRXNPFEDSA-N 2 0 329.488 3.379 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000278717451 275268193 /nfs/dbraw/zinc/26/81/93/275268193.db2.gz LZWBURLTLLWHHN-DUXKGJEZSA-N 2 0 329.532 3.344 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000278804940 275276341 /nfs/dbraw/zinc/27/63/41/275276341.db2.gz ZIWSWMUVRVWKIZ-GJZGRUSLSA-N 2 0 342.430 3.440 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000279832001 275364000 /nfs/dbraw/zinc/36/40/00/275364000.db2.gz GXFPMGOCDFMUNU-IKGGRYGDSA-N 2 0 337.939 3.448 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000281120683 275523765 /nfs/dbraw/zinc/52/37/65/275523765.db2.gz AJKZAEKFGDJCJR-UHFFFAOYSA-N 2 0 344.503 3.393 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc2)CC1 ZINC000284417732 275799217 /nfs/dbraw/zinc/79/92/17/275799217.db2.gz QYVCBOMWYPKWCG-XUVXKRRUSA-N 2 0 344.499 3.063 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287318978 276107623 /nfs/dbraw/zinc/10/76/23/276107623.db2.gz DHBDAMRPRGZFBX-HOTGVXAUSA-N 2 0 330.394 3.338 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000154257583 276195417 /nfs/dbraw/zinc/19/54/17/276195417.db2.gz CWJXUZNZUYKALD-HOCLYGCPSA-N 2 0 339.574 3.291 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)Cc2ccccc2)C1 ZINC000354602808 276247320 /nfs/dbraw/zinc/24/73/20/276247320.db2.gz MCLQRIXXUSBTIZ-PMACEKPBSA-N 2 0 345.531 3.087 20 0 EGADRP COCCOCc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000289051411 276284052 /nfs/dbraw/zinc/28/40/52/276284052.db2.gz AHDDTZVDEOJFBZ-GOSISDBHSA-N 2 0 334.504 3.061 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000289300232 276318466 /nfs/dbraw/zinc/31/84/66/276318466.db2.gz SAKKDYXKKUSUHZ-OXQOHEQNSA-N 2 0 336.483 3.172 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCc3ccccc3C2)cc1O ZINC000289594547 276363515 /nfs/dbraw/zinc/36/35/15/276363515.db2.gz FPMCEKNVAURCJS-MRXNPFEDSA-N 2 0 340.467 3.500 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1O ZINC000289607890 276365739 /nfs/dbraw/zinc/36/57/39/276365739.db2.gz GFEDGVXNUPRROL-OAHLLOKOSA-N 2 0 344.455 3.192 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Br)nc1 ZINC000289878017 276411417 /nfs/dbraw/zinc/41/14/17/276411417.db2.gz SKXYZPCBAIMKSG-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000290193531 276461415 /nfs/dbraw/zinc/46/14/15/276461415.db2.gz ONNRTYQLJWXOSQ-MOPGFXCFSA-N 2 0 329.488 3.245 20 0 EGADRP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370004667 277386495 /nfs/dbraw/zinc/38/64/95/277386495.db2.gz FTOQXUOSVIOFQQ-SFHVURJKSA-N 2 0 330.472 3.017 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000372192668 277396838 /nfs/dbraw/zinc/39/68/38/277396838.db2.gz VYRNRBQUNPAWHW-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccsc2S1 ZINC000358925425 278917141 /nfs/dbraw/zinc/91/71/41/278917141.db2.gz CPHQHLMJOAXUSG-CZUORRHYSA-N 2 0 339.574 3.289 20 0 EGADRP Cc1nn2c(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c(C(C)C)nc2s1 ZINC000357045233 279216716 /nfs/dbraw/zinc/21/67/16/279216716.db2.gz HUABNJPTYYRKCH-OAHLLOKOSA-N 2 0 347.532 3.044 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000344419600 279235270 /nfs/dbraw/zinc/23/52/70/279235270.db2.gz GKUBXIXELPUQPJ-ROUUACIJSA-N 2 0 345.531 3.472 20 0 EGADRP CC(C)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182070819 280334092 /nfs/dbraw/zinc/33/40/92/280334092.db2.gz NCBVGFVRWVAWQM-KDOFPFPSSA-N 2 0 341.902 3.402 20 0 EGADRP COCc1ccccc1/C=C(/C)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000352667754 293314014 /nfs/dbraw/zinc/31/40/14/293314014.db2.gz NCOZLVJZFXCNQT-AQTBWJFISA-N 2 0 346.515 3.061 20 0 EGADRP COc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)C2CC2)c(OC)c1 ZINC000262039436 295127359 /nfs/dbraw/zinc/12/73/59/295127359.db2.gz YEKOHLRQFRXSLN-JKSUJKDBSA-N 2 0 332.488 3.304 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237556787 300482420 /nfs/dbraw/zinc/48/24/20/300482420.db2.gz QSLCOIMLZAKHAS-TXPKVOOTSA-N 2 0 345.531 3.154 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000357856031 302207263 /nfs/dbraw/zinc/20/72/63/302207263.db2.gz DXAKEKSSUJZISP-STEXWYFWSA-N 2 0 345.531 3.364 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000052442343 307331820 /nfs/dbraw/zinc/33/18/20/307331820.db2.gz DWDYFYQNAZGJCL-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056523444 307343741 /nfs/dbraw/zinc/34/37/41/307343741.db2.gz BPZGMGSWNKPQTN-QGZVFWFLSA-N 2 0 331.504 3.294 20 0 EGADRP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038711 307457406 /nfs/dbraw/zinc/45/74/06/307457406.db2.gz GYTOBBALUNGYOJ-QGZVFWFLSA-N 2 0 331.504 3.203 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000112549889 307471710 /nfs/dbraw/zinc/47/17/10/307471710.db2.gz WHGXYHAKXICNRK-JOCHJYFZSA-N 2 0 338.495 3.264 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414067221 309058823 /nfs/dbraw/zinc/05/88/23/309058823.db2.gz ADYPIDXELHTWPY-AEFFLSMTSA-N 2 0 336.907 3.413 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414083177 309059956 /nfs/dbraw/zinc/05/99/56/309059956.db2.gz VYVZEYUNNDKPKH-SJORKVTESA-N 2 0 326.525 3.059 20 0 EGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000414113533 309061745 /nfs/dbraw/zinc/06/17/45/309061745.db2.gz KTYHXHDQOOQLGP-CGTJXYLNSA-N 2 0 338.536 3.059 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc(C)c1F ZINC000132571658 307660019 /nfs/dbraw/zinc/66/00/19/307660019.db2.gz JENWSXYMVFUJSJ-IEBWSBKVSA-N 2 0 335.511 3.365 20 0 EGADRP CC[C@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCC[NH2+]1 ZINC000134583944 307690214 /nfs/dbraw/zinc/69/02/14/307690214.db2.gz PLVJSZXCQFHLPO-OAQYLSRUSA-N 2 0 343.515 3.211 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414173611 309064608 /nfs/dbraw/zinc/06/46/08/309064608.db2.gz FYUXOBAJHTTYIP-GDBMZVCRSA-N 2 0 333.476 3.036 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000414172697 309064661 /nfs/dbraw/zinc/06/46/61/309064661.db2.gz FBWYNMKXZQARHF-AYOQOUSVSA-N 2 0 332.488 3.235 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000414172075 309064672 /nfs/dbraw/zinc/06/46/72/309064672.db2.gz DWQXZRZVNDQIIZ-ZGGTZUKQSA-N 2 0 341.499 3.141 20 0 EGADRP CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414325070 309073038 /nfs/dbraw/zinc/07/30/38/309073038.db2.gz LMLJAONFJATSKD-QGZVFWFLSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248391490 308001709 /nfs/dbraw/zinc/00/17/09/308001709.db2.gz CIBKGZQPYHZGSX-FXAWDEMLSA-N 2 0 339.483 3.099 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000248392469 308001834 /nfs/dbraw/zinc/00/18/34/308001834.db2.gz DDTGGCNYURTGLR-BHDDXSALSA-N 2 0 341.543 3.363 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000414447163 309080587 /nfs/dbraw/zinc/08/05/87/309080587.db2.gz WKSMLUUOYDOPHA-OXJNMPFZSA-N 2 0 342.462 3.236 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292823346 308069833 /nfs/dbraw/zinc/06/98/33/308069833.db2.gz AAIQKLJCEQPRNA-GOSISDBHSA-N 2 0 335.879 3.086 20 0 EGADRP COc1cc(OC)c(C[NH2+]CCCCC[NH+]2CCCC2)c(OC)c1 ZINC000292889666 308076935 /nfs/dbraw/zinc/07/69/35/308076935.db2.gz CWPUARODUSHBAU-UHFFFAOYSA-N 2 0 336.476 3.068 20 0 EGADRP CC1(c2ccccc2)CC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000294173038 308197223 /nfs/dbraw/zinc/19/72/23/308197223.db2.gz JJVJJCCKNYVDTQ-RPCJCACASA-N 2 0 328.500 3.197 20 0 EGADRP C[C@@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000294247250 308203391 /nfs/dbraw/zinc/20/33/91/308203391.db2.gz PSIQHNMKZWFVFT-LJQANCHMSA-N 2 0 345.874 3.201 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000294448523 308221864 /nfs/dbraw/zinc/22/18/64/308221864.db2.gz YBXGORNMMLBOQP-WIYYLYMNSA-N 2 0 338.495 3.477 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)[C@H](C)C1 ZINC000294902534 308269637 /nfs/dbraw/zinc/26/96/37/308269637.db2.gz FPCSTIGSCLRFRE-MNEFBYGVSA-N 2 0 335.561 3.331 20 0 EGADRP CC(C)C[C@H](C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000295356916 308318070 /nfs/dbraw/zinc/31/80/70/308318070.db2.gz RETZUJNVZFCMER-PZJWPPBQSA-N 2 0 329.532 3.313 20 0 EGADRP CC(C)(C)[N@@H+]1C[C@@H](c2nc(C3([NH3+])CCCC3)no2)[C@H](C(F)(F)F)C1 ZINC000414630249 309092514 /nfs/dbraw/zinc/09/25/14/309092514.db2.gz STYNRPQJDBDPRH-GHMZBOCLSA-N 2 0 346.397 3.174 20 0 EGADRP CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000295860490 308368261 /nfs/dbraw/zinc/36/82/61/308368261.db2.gz FLHGPRQNCVORFT-JKSUJKDBSA-N 2 0 330.476 3.255 20 0 EGADRP C[N@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414656672 309094087 /nfs/dbraw/zinc/09/40/87/309094087.db2.gz IYOZYFLEFSCLBP-UHFFFAOYSA-N 2 0 326.469 3.381 20 0 EGADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695452 309095880 /nfs/dbraw/zinc/09/58/80/309095880.db2.gz GMCAOLDBMWQMOX-HKUYNNGSSA-N 2 0 330.520 3.008 20 0 EGADRP Cc1ncsc1CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296277041 308411142 /nfs/dbraw/zinc/41/11/42/308411142.db2.gz DWOILMNIZZBLHU-CQSZACIVSA-N 2 0 333.501 3.285 20 0 EGADRP CC(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414716330 309097027 /nfs/dbraw/zinc/09/70/27/309097027.db2.gz ZUVHXVSNZSYLMU-XLIONFOSSA-N 2 0 343.515 3.144 20 0 EGADRP C[C@H]([N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000414736346 309098086 /nfs/dbraw/zinc/09/80/86/309098086.db2.gz GOHSJJMNYPAYFP-HKUYNNGSSA-N 2 0 345.531 3.121 20 0 EGADRP CCOc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(Cl)c1O ZINC000297292228 308518898 /nfs/dbraw/zinc/51/88/98/308518898.db2.gz APBWJBQOIIYPLF-UHFFFAOYSA-N 2 0 326.868 3.266 20 0 EGADRP Cc1ccc(O[C@@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297759738 308561452 /nfs/dbraw/zinc/56/14/52/308561452.db2.gz UVMAQRHLIOCCLV-KRWDZBQOSA-N 2 0 325.456 3.416 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414775928 309100259 /nfs/dbraw/zinc/10/02/59/309100259.db2.gz CNXADMSRNAIZGN-UXHICEINSA-N 2 0 332.488 3.050 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414779856 309100686 /nfs/dbraw/zinc/10/06/86/309100686.db2.gz KSFJJURLLFIIHF-MSOLQXFVSA-N 2 0 332.488 3.306 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1OC ZINC000414784949 309100962 /nfs/dbraw/zinc/10/09/62/309100962.db2.gz RVWYVYWFOFTTPJ-KBPBESRZSA-N 2 0 338.879 3.179 20 0 EGADRP CCOc1c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)nn1CC(C)C ZINC000414785397 309101212 /nfs/dbraw/zinc/10/12/12/309101212.db2.gz SOVRJDJCPJNBAE-ROUUACIJSA-N 2 0 348.535 3.068 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000414792459 309101655 /nfs/dbraw/zinc/10/16/55/309101655.db2.gz SEEJXAMLISGGPV-APWZRJJASA-N 2 0 343.496 3.138 20 0 EGADRP c1cnn(-c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)c1 ZINC000298234790 308595829 /nfs/dbraw/zinc/59/58/29/308595829.db2.gz BSQAITVPEJUCRB-UHFFFAOYSA-N 2 0 333.439 3.026 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2)cs1 ZINC000414803873 309102415 /nfs/dbraw/zinc/10/24/15/309102415.db2.gz OJQGYLZHJOTDLT-CRAIPNDOSA-N 2 0 331.485 3.248 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000414804817 309102541 /nfs/dbraw/zinc/10/25/41/309102541.db2.gz PBWFLZFRRWSPKQ-ZQIUZPCESA-N 2 0 337.895 3.473 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414812237 309103137 /nfs/dbraw/zinc/10/31/37/309103137.db2.gz XHMWFIDDQNLVRX-YLJYHZDGSA-N 2 0 325.456 3.268 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414826366 309104168 /nfs/dbraw/zinc/10/41/68/309104168.db2.gz VQHDDXRYUITKJE-CRAIPNDOSA-N 2 0 325.456 3.235 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414841859 309104960 /nfs/dbraw/zinc/10/49/60/309104960.db2.gz ZJPFHQPOFPLJGK-IBGZPJMESA-N 2 0 340.467 3.363 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000305137612 308758512 /nfs/dbraw/zinc/75/85/12/308758512.db2.gz PBENTIOYUNJYRK-DUXKGJEZSA-N 2 0 330.516 3.223 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000305877013 308762398 /nfs/dbraw/zinc/76/23/98/308762398.db2.gz FTWBHEXHHVNVEX-RDJZCZTQSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414847757 309105306 /nfs/dbraw/zinc/10/53/06/309105306.db2.gz GBUBJHDBIWJRAK-AAEUAGOBSA-N 2 0 334.357 3.245 20 0 EGADRP COC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411152363 308928765 /nfs/dbraw/zinc/92/87/65/308928765.db2.gz GANDIGKXHQXBBT-UHFFFAOYSA-N 2 0 330.472 3.058 20 0 EGADRP C[NH2+]CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414860761 309105925 /nfs/dbraw/zinc/10/59/25/309105925.db2.gz QMYHDANVLSESTH-UHFFFAOYSA-N 2 0 340.496 3.359 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414870197 309106466 /nfs/dbraw/zinc/10/64/66/309106466.db2.gz BKZZDRBQFHBZFF-QMMMGPOBSA-N 2 0 325.172 3.152 20 0 EGADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414883877 309107210 /nfs/dbraw/zinc/10/72/10/309107210.db2.gz DTTQNRHDZFRVMR-JKSUJKDBSA-N 2 0 325.294 3.487 20 0 EGADRP CC1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000414896000 309107889 /nfs/dbraw/zinc/10/78/89/309107889.db2.gz AKHNHXCIZSAFKY-UHFFFAOYSA-N 2 0 335.923 3.284 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000414932886 309110029 /nfs/dbraw/zinc/11/00/29/309110029.db2.gz WCRXKAHYPIDKJR-VXGBXAGGSA-N 2 0 349.219 3.410 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414969792 309112264 /nfs/dbraw/zinc/11/22/64/309112264.db2.gz JOFYXVGATBQUKG-HUUCEWRRSA-N 2 0 337.895 3.487 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414973853 309112401 /nfs/dbraw/zinc/11/24/01/309112401.db2.gz MZALBGAMDNJCDK-AWEZNQCLSA-N 2 0 327.266 3.080 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000414999595 309113444 /nfs/dbraw/zinc/11/34/44/309113444.db2.gz JKBXRSRQWFAGBT-DGCLKSJQSA-N 2 0 334.357 3.374 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000414998504 309113478 /nfs/dbraw/zinc/11/34/78/309113478.db2.gz QVPDWKVBBNZBEI-PRQLOCANSA-N 2 0 339.527 3.003 20 0 EGADRP Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000415000951 309113606 /nfs/dbraw/zinc/11/36/06/309113606.db2.gz UJPRDAMJGIMZEP-UKRRQHHQSA-N 2 0 332.879 3.348 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000415003275 309113742 /nfs/dbraw/zinc/11/37/42/309113742.db2.gz WWOVEMRKLIDUPQ-FUHWJXTLSA-N 2 0 325.456 3.268 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415005976 309113764 /nfs/dbraw/zinc/11/37/64/309113764.db2.gz ZRHJRLNVNZPIFU-NVXWUHKLSA-N 2 0 330.451 3.235 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1Cl ZINC000415010146 309114119 /nfs/dbraw/zinc/11/41/19/309114119.db2.gz FYQLXCGRXPQSRL-KGLIPLIRSA-N 2 0 325.884 3.473 20 0 EGADRP Cc1cc(Br)cn2c(C[NH2+][C@@H](C)CCCC[NH3+])cnc12 ZINC000415015983 309114393 /nfs/dbraw/zinc/11/43/93/309114393.db2.gz ORRPRPXRWNOSPY-LBPRGKRZSA-N 2 0 339.281 3.012 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000415020002 309114723 /nfs/dbraw/zinc/11/47/23/309114723.db2.gz FUEWHYBRCYYILJ-JOCQHMNTSA-N 2 0 334.414 3.210 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000415026808 309115054 /nfs/dbraw/zinc/11/50/54/309115054.db2.gz VNHQNGOOCSUUDC-CYBMUJFWSA-N 2 0 334.895 3.419 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000415026483 309115099 /nfs/dbraw/zinc/11/50/99/309115099.db2.gz TXQRXRXYAWDCTN-SHTZXODSSA-N 2 0 332.879 3.380 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000415041604 309116077 /nfs/dbraw/zinc/11/60/77/309116077.db2.gz PZRCWMUGFNQKPV-XYPHTWIQSA-N 2 0 338.879 3.115 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415043299 309116224 /nfs/dbraw/zinc/11/62/24/309116224.db2.gz RSURLMOACCNNTP-DOMZBBRYSA-N 2 0 341.293 3.455 20 0 EGADRP COc1ccc([C@H](CN[C@@H](C)C[C@@H]2CCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000415074465 309118416 /nfs/dbraw/zinc/11/84/16/309118416.db2.gz ACGBNVFNZLMSCN-CUWPLCDZSA-N 2 0 345.531 3.342 20 0 EGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000415076113 309118578 /nfs/dbraw/zinc/11/85/78/309118578.db2.gz CKMPNPOPCITMQM-HXUWFJFHSA-N 2 0 328.431 3.460 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)ccc1OC1CCCC1 ZINC000415078199 309118688 /nfs/dbraw/zinc/11/86/88/309118688.db2.gz FXSJOMIUBQTBSH-NVXWUHKLSA-N 2 0 332.488 3.494 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415077072 309118769 /nfs/dbraw/zinc/11/87/69/309118769.db2.gz DQLDZTWKPRSXER-HZPDHXFCSA-N 2 0 341.455 3.360 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415081607 309119003 /nfs/dbraw/zinc/11/90/03/309119003.db2.gz KLTWYOWIYICFLU-RWBZWWBESA-N 2 0 338.455 3.254 20 0 EGADRP CC(C)([NH3+])C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415085596 309119333 /nfs/dbraw/zinc/11/93/33/309119333.db2.gz QWKFHMKNDBAFLY-UHFFFAOYSA-N 2 0 330.303 3.285 20 0 EGADRP CC1(C)Cc2cc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)ccc2O1 ZINC000415104491 309120560 /nfs/dbraw/zinc/12/05/60/309120560.db2.gz GZLKOJPHADUIIQ-UYAOXDASSA-N 2 0 344.499 3.118 20 0 EGADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415104287 309120637 /nfs/dbraw/zinc/12/06/37/309120637.db2.gz KQFXRHXLUJIHBG-PCCBWWKXSA-N 2 0 342.531 3.161 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]1 ZINC000415112855 309121110 /nfs/dbraw/zinc/12/11/10/309121110.db2.gz RBDMKIQDPJGIRN-QLFBSQMISA-N 2 0 334.426 3.056 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000415115216 309121255 /nfs/dbraw/zinc/12/12/55/309121255.db2.gz WUXFEBIOYWYBBQ-IAGOWNOFSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000415115727 309121289 /nfs/dbraw/zinc/12/12/89/309121289.db2.gz XFHSKMGVFWWJDM-DLBZAZTESA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+]CC1CCC([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000415118467 309121595 /nfs/dbraw/zinc/12/15/95/309121595.db2.gz WPLVZPNZCCIING-UHFFFAOYSA-N 2 0 337.458 3.036 20 0 EGADRP COc1cccc(Cl)c1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415118904 309121619 /nfs/dbraw/zinc/12/16/19/309121619.db2.gz DRSZIIQRJXWLPQ-KBXCAEBGSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)Cc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415133948 309122916 /nfs/dbraw/zinc/12/29/16/309122916.db2.gz CXCPFCFMNWNRJA-UXHICEINSA-N 2 0 328.500 3.086 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415134898 309123043 /nfs/dbraw/zinc/12/30/43/309123043.db2.gz WHOPEJJGLLDWGS-VQTJNVASSA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000415135349 309123049 /nfs/dbraw/zinc/12/30/49/309123049.db2.gz WOKGBDYUYZTOIH-IRXDYDNUSA-N 2 0 340.414 3.006 20 0 EGADRP CC[C@](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415139674 309123381 /nfs/dbraw/zinc/12/33/81/309123381.db2.gz MBBCJHALJHOXJE-ANTGDGSKSA-N 2 0 344.499 3.018 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)c1ccco1 ZINC000415901954 309147030 /nfs/dbraw/zinc/14/70/30/309147030.db2.gz NZDSKSDXVUGOIL-YOEHRIQHSA-N 2 0 344.459 3.250 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415928936 309149363 /nfs/dbraw/zinc/14/93/63/309149363.db2.gz GJNNILQAYNWADN-INIZCTEOSA-N 2 0 346.519 3.428 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000415933419 309149733 /nfs/dbraw/zinc/14/97/33/309149733.db2.gz OETJOOCNEDWWQK-UHFFFAOYSA-N 2 0 332.492 3.181 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982419 309152817 /nfs/dbraw/zinc/15/28/17/309152817.db2.gz XQXCROINRFFZBO-BEFAXECRSA-N 2 0 338.455 3.102 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000415984597 309152942 /nfs/dbraw/zinc/15/29/42/309152942.db2.gz QDBBWQITNBJBHF-MRXNPFEDSA-N 2 0 340.471 3.048 20 0 EGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccco1 ZINC000415985786 309152984 /nfs/dbraw/zinc/15/29/84/309152984.db2.gz UBNYMXDPCQKAEH-RHSMWYFYSA-N 2 0 344.459 3.250 20 0 EGADRP C[NH+](C)C1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000416820445 309182521 /nfs/dbraw/zinc/18/25/21/309182521.db2.gz KPDYZINFRIHGKJ-GOSISDBHSA-N 2 0 346.519 3.030 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000416849663 309183660 /nfs/dbraw/zinc/18/36/60/309183660.db2.gz YNFYRGYUAKJQIO-RTBURBONSA-N 2 0 348.535 3.084 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312471 309201229 /nfs/dbraw/zinc/20/12/29/309201229.db2.gz NVHVFKRPTJNZIB-UOVPBQLFSA-N 2 0 334.529 3.331 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000417353280 309202751 /nfs/dbraw/zinc/20/27/51/309202751.db2.gz ILHZQKHVKFATGE-AQNXPRMDSA-N 2 0 327.516 3.113 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000417848350 309224943 /nfs/dbraw/zinc/22/49/43/309224943.db2.gz BINYQAIBVRDAQZ-YJBOKZPZSA-N 2 0 348.535 3.085 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000419333266 309264849 /nfs/dbraw/zinc/26/48/49/309264849.db2.gz FKXHOBQLRZGJQQ-INIZCTEOSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1 ZINC000419807924 309272470 /nfs/dbraw/zinc/27/24/70/309272470.db2.gz UAOKDANWIQYCAU-UONOGXRCSA-N 2 0 339.936 3.075 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000420300599 309280237 /nfs/dbraw/zinc/28/02/37/309280237.db2.gz UZHLECZGIYCCML-INIZCTEOSA-N 2 0 325.456 3.220 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302700 309280352 /nfs/dbraw/zinc/28/03/52/309280352.db2.gz GKTGMRCWXOIPCA-UHFFFAOYSA-N 2 0 344.480 3.263 20 0 EGADRP COC(=O)CC1(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000420301762 309280597 /nfs/dbraw/zinc/28/05/97/309280597.db2.gz AXMQKJKEIHESQP-INIZCTEOSA-N 2 0 348.512 3.036 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000420309655 309280961 /nfs/dbraw/zinc/28/09/61/309280961.db2.gz OZSLWQXKQCYBBB-UHFFFAOYSA-N 2 0 330.428 3.041 20 0 EGADRP Fc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420319405 309281763 /nfs/dbraw/zinc/28/17/63/309281763.db2.gz ABMOVTCTIXXPEY-HZPDHXFCSA-N 2 0 329.419 3.302 20 0 EGADRP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420335362 309282751 /nfs/dbraw/zinc/28/27/51/309282751.db2.gz HFAHYHOCYHWJLE-HUUCEWRRSA-N 2 0 346.862 3.212 20 0 EGADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341409 309283299 /nfs/dbraw/zinc/28/32/99/309283299.db2.gz OEBKLPIFZYVKNJ-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344109 309283515 /nfs/dbraw/zinc/28/35/15/309283515.db2.gz SCUKUYJCTWAGKR-ARFHVFGLSA-N 2 0 347.528 3.057 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000420374958 309285183 /nfs/dbraw/zinc/28/51/83/309285183.db2.gz IELALAVYQOLTME-XLIONFOSSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420385602 309285772 /nfs/dbraw/zinc/28/57/72/309285772.db2.gz TXFCBTFULZGKQE-FPOVZHCZSA-N 2 0 346.515 3.291 20 0 EGADRP c1ccc2cc(CC[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)ccc2c1 ZINC000420391682 309285952 /nfs/dbraw/zinc/28/59/52/309285952.db2.gz SZLIDKWHGZMWPY-RTWAWAEBSA-N 2 0 336.479 3.083 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000420985763 309306092 /nfs/dbraw/zinc/30/60/92/309306092.db2.gz WTUYEDFWDFGDSR-UNMCSNQZSA-N 2 0 341.543 3.282 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421829211 309341953 /nfs/dbraw/zinc/34/19/53/309341953.db2.gz HBFTXORCENGUTQ-BBRMVZONSA-N 2 0 330.875 3.357 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1 ZINC000421835956 309342564 /nfs/dbraw/zinc/34/25/64/309342564.db2.gz QOOJQTQWPAUHHN-KRWDZBQOSA-N 2 0 346.515 3.081 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421890734 309345298 /nfs/dbraw/zinc/34/52/98/309345298.db2.gz YGWNXQAOOSFHGK-MHJFOBGBSA-N 2 0 341.503 3.180 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccccc2Cl)CC[NH2+]CC1 ZINC000422693901 309363421 /nfs/dbraw/zinc/36/34/21/309363421.db2.gz MXVVMLWQTNCKRS-KGLIPLIRSA-N 2 0 338.879 3.312 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701417 309363811 /nfs/dbraw/zinc/36/38/11/309363811.db2.gz IMQWGJQABKUSKJ-VBNZEHGJSA-N 2 0 342.405 3.079 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422701255 309363877 /nfs/dbraw/zinc/36/38/77/309363877.db2.gz CZJMZCOGPPTQAJ-NWDGAFQWSA-N 2 0 326.366 3.107 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)N1CCCCC1 ZINC000422714102 309364487 /nfs/dbraw/zinc/36/44/87/309364487.db2.gz QSRGBIMQSMWMAT-IHPCNDPISA-N 2 0 345.531 3.200 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000422719740 309364944 /nfs/dbraw/zinc/36/49/44/309364944.db2.gz RERPRWJOKIQKAM-RYRKJORJSA-N 2 0 335.561 3.395 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)c2ccccc2)CC1 ZINC000422731372 309365768 /nfs/dbraw/zinc/36/57/68/309365768.db2.gz GXXXUBMDWDLTHX-HMXCVIKNSA-N 2 0 329.532 3.437 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000422736080 309365811 /nfs/dbraw/zinc/36/58/11/309365811.db2.gz XCZZNHJONZQYGR-IIBYNOLFSA-N 2 0 338.499 3.336 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422736969 309366152 /nfs/dbraw/zinc/36/61/52/309366152.db2.gz WSJJRTLHEICLJR-CUWPLCDZSA-N 3 0 345.531 3.342 20 0 EGADRP COc1ccc(C[C@@H]([NH2+]C2CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422760142 309366982 /nfs/dbraw/zinc/36/69/82/309366982.db2.gz GEPNRVAYXCJWLK-OAQYLSRUSA-N 2 0 340.467 3.329 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000422769597 309367408 /nfs/dbraw/zinc/36/74/08/309367408.db2.gz VRDJWJHPBMXEPN-LLVKDONJSA-N 2 0 334.261 3.462 20 0 EGADRP Cc1ccc(N2CCC([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000422778753 309367866 /nfs/dbraw/zinc/36/78/66/309367866.db2.gz HTKXVROSEBGUTR-IEBWSBKVSA-N 2 0 330.520 3.259 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000422779862 309367951 /nfs/dbraw/zinc/36/79/51/309367951.db2.gz JKNXNQFROOKVQL-KRWDZBQOSA-N 2 0 346.515 3.184 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]CC1 ZINC000422790478 309368566 /nfs/dbraw/zinc/36/85/66/309368566.db2.gz CBSBNGULHPSWLC-BSDSXHPESA-N 2 0 336.520 3.256 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422799496 309369163 /nfs/dbraw/zinc/36/91/63/309369163.db2.gz XANMNCWEXWSMNT-GKCIPKSASA-N 2 0 344.430 3.460 20 0 EGADRP c1ccc(C2CCC([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422807812 309369621 /nfs/dbraw/zinc/36/96/21/309369621.db2.gz NGMCAXXAGRUQHR-VKNHOLBOSA-N 2 0 328.500 3.460 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCc3ccccc32)CC[NH2+]CC1 ZINC000422813518 309369989 /nfs/dbraw/zinc/36/99/89/309369989.db2.gz ZKHVYZBWKLEEGA-SJLPKXTDSA-N 2 0 344.499 3.018 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000422821657 309370280 /nfs/dbraw/zinc/37/02/80/309370280.db2.gz XRWYCPUEYJHHTE-DLBZAZTESA-N 2 0 341.421 3.385 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCOC1CCCC1 ZINC000422832715 309370920 /nfs/dbraw/zinc/37/09/20/309370920.db2.gz VKGKOYBDYNTBGM-ICSRJNTNSA-N 2 0 330.472 3.181 20 0 EGADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422838838 309371094 /nfs/dbraw/zinc/37/10/94/309371094.db2.gz YGMXSRQNHHVDNP-GFOJFJKKSA-N 2 0 327.516 3.413 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422839605 309371329 /nfs/dbraw/zinc/37/13/29/309371329.db2.gz QVLAXJUKECPMNB-ABSDTBQOSA-N 3 0 332.536 3.400 20 0 EGADRP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422840016 309371397 /nfs/dbraw/zinc/37/13/97/309371397.db2.gz RXINPGVIHBTHAB-DSLXNQLJSA-N 2 0 333.907 3.429 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422839265 309371423 /nfs/dbraw/zinc/37/14/23/309371423.db2.gz ZODVLLIOGPQYGX-YLJYHZDGSA-N 2 0 338.499 3.164 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422842767 309371590 /nfs/dbraw/zinc/37/15/90/309371590.db2.gz GJBHEPKYSWUUPO-CJNGLKHVSA-N 2 0 327.875 3.333 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422847743 309371856 /nfs/dbraw/zinc/37/18/56/309371856.db2.gz RXZQGMMYVIWIJC-XEZPLFJOSA-N 2 0 327.875 3.331 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422853629 309372090 /nfs/dbraw/zinc/37/20/90/309372090.db2.gz ZLAZQDPTHKAAKY-VAMGGRTRSA-N 2 0 342.462 3.330 20 0 EGADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422855583 309372233 /nfs/dbraw/zinc/37/22/33/309372233.db2.gz CMXUVJFBNBFUCI-PWRODBHTSA-N 2 0 346.515 3.011 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCSc3ccccc32)CC[NH2+]CC1 ZINC000422866438 309372674 /nfs/dbraw/zinc/37/26/74/309372674.db2.gz QFXKOITYWJRAJP-GOEBONIOSA-N 2 0 348.512 3.135 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])CCOCC2)cc1 ZINC000422876227 309373414 /nfs/dbraw/zinc/37/34/14/309373414.db2.gz FHYDWVABASPKQB-PMACEKPBSA-N 2 0 346.515 3.383 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCC1 ZINC000422881616 309373745 /nfs/dbraw/zinc/37/37/45/309373745.db2.gz QSYGEDWOQOHTLX-WBAXXEDZSA-N 2 0 336.907 3.494 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000422881492 309373780 /nfs/dbraw/zinc/37/37/80/309373780.db2.gz YRDWNPJNPRGGRL-QXAKKESOSA-N 2 0 332.488 3.031 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422889807 309374375 /nfs/dbraw/zinc/37/43/75/309374375.db2.gz GWXLAKGRYJSDKJ-ZIAGYGMSSA-N 2 0 329.419 3.293 20 0 EGADRP CCCCOc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422896364 309374848 /nfs/dbraw/zinc/37/48/48/309374848.db2.gz XXNPMOCEIFZYKY-VAMGGRTRSA-N 2 0 332.488 3.112 20 0 EGADRP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000422909250 309375531 /nfs/dbraw/zinc/37/55/31/309375531.db2.gz FJRQMQGMDSGSFJ-ZACQAIPSSA-N 2 0 342.512 3.258 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422905491 309375650 /nfs/dbraw/zinc/37/56/50/309375650.db2.gz ZDVDVOKBOMFOSV-BHIFYINESA-N 2 0 341.543 3.470 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422913300 309375727 /nfs/dbraw/zinc/37/57/27/309375727.db2.gz YDUCFVBRERHJIO-RTWAWAEBSA-N 3 0 329.532 3.191 20 0 EGADRP C(CC12CC3CC(CC(C3)C1)C2)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422930828 309376616 /nfs/dbraw/zinc/37/66/16/309376616.db2.gz WDTPTDWKKCOPJZ-CMBZXYCOSA-N 2 0 332.532 3.340 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422942838 309377350 /nfs/dbraw/zinc/37/73/50/309377350.db2.gz QGNMRBOCGCNYQG-UIFIKXQLSA-N 2 0 329.532 3.047 20 0 EGADRP c1sc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccncc1 ZINC000422956499 309377990 /nfs/dbraw/zinc/37/79/90/309377990.db2.gz PSMVMNCGXGPZHP-XYPWUTKMSA-N 2 0 328.485 3.010 20 0 EGADRP Cn1cc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)cn1 ZINC000422965034 309378645 /nfs/dbraw/zinc/37/86/45/309378645.db2.gz NJSHIGGQNKGQEZ-QHAWAJNXSA-N 2 0 338.499 3.488 20 0 EGADRP CCC(CC)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[NH+](C)C ZINC000422965681 309378721 /nfs/dbraw/zinc/37/87/21/309378721.db2.gz PJZOCPNQWHAYJN-SVFBPWRDSA-N 2 0 345.531 3.198 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422967120 309378811 /nfs/dbraw/zinc/37/88/11/309378811.db2.gz SLKYRKDLNYAUAD-WOJBJXKFSA-N 2 0 326.488 3.363 20 0 EGADRP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422973766 309379160 /nfs/dbraw/zinc/37/91/60/309379160.db2.gz PLYSRYLWDAWNHB-CEXWTWQISA-N 2 0 329.488 3.271 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000422987468 309379596 /nfs/dbraw/zinc/37/95/96/309379596.db2.gz IOZUAGPRFLDJBY-LQJIQPLVSA-N 2 0 330.472 3.036 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1Br ZINC000422993333 309380027 /nfs/dbraw/zinc/38/00/27/309380027.db2.gz FMMKMKXIKGREQG-SWLSCSKDSA-N 2 0 325.294 3.444 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cncc(F)c1 ZINC000423029830 309381759 /nfs/dbraw/zinc/38/17/59/309381759.db2.gz IRBXCPSNTUTNNT-IXDGSTSKSA-N 2 0 327.403 3.127 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nccs1 ZINC000423041216 309382643 /nfs/dbraw/zinc/38/26/43/309382643.db2.gz WLQAHLJLEHCYAZ-QIIPPGSGSA-N 2 0 329.469 3.092 20 0 EGADRP CN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC000423060904 309383853 /nfs/dbraw/zinc/38/38/53/309383853.db2.gz PQRHZADVSDHPBZ-OJAHFUOMSA-N 2 0 327.516 3.196 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065465 309384052 /nfs/dbraw/zinc/38/40/52/309384052.db2.gz UMYHPLUMRLUANL-CIAFKFPVSA-N 2 0 341.543 3.407 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1Cl ZINC000423075303 309384568 /nfs/dbraw/zinc/38/45/68/309384568.db2.gz WNNWIQZTEBZUPG-JLJPHGGASA-N 2 0 340.895 3.361 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423086035 309385237 /nfs/dbraw/zinc/38/52/37/309385237.db2.gz MCWOGJMDRFLFJB-FUHWJXTLSA-N 2 0 338.499 3.416 20 0 EGADRP [NH3+]CC1CCC([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000423095495 309385755 /nfs/dbraw/zinc/38/57/55/309385755.db2.gz MNSAYUSAELHHMU-UHFFFAOYSA-N 2 0 330.394 3.277 20 0 EGADRP C[C@@H]1CC(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)O1 ZINC000423100946 309385936 /nfs/dbraw/zinc/38/59/36/309385936.db2.gz NCKOQLXUGUTHIX-YZDADXEPSA-N 2 0 330.472 3.036 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423118064 309386773 /nfs/dbraw/zinc/38/67/73/309386773.db2.gz YQKYOYRKRHZNHY-UUKMXZOPSA-N 2 0 329.532 3.394 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1OC ZINC000423127346 309387325 /nfs/dbraw/zinc/38/73/25/309387325.db2.gz BWOBTBWTMKPNKP-ZIAGYGMSSA-N 2 0 326.868 3.007 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000423130318 309387348 /nfs/dbraw/zinc/38/73/48/309387348.db2.gz RRZUPSXBFISSRG-HZPDHXFCSA-N 2 0 327.472 3.495 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000423130319 309387427 /nfs/dbraw/zinc/38/74/27/309387427.db2.gz RRZUPSXBFISSRG-JKSUJKDBSA-N 2 0 327.472 3.495 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423131113 309387493 /nfs/dbraw/zinc/38/74/93/309387493.db2.gz ZEWYTYGOJPQGPK-LPHOPBHVSA-N 2 0 330.520 3.391 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423136141 309387826 /nfs/dbraw/zinc/38/78/26/309387826.db2.gz GWQHQJSLGNWZFT-YLJYHZDGSA-N 2 0 334.504 3.250 20 0 EGADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423142831 309388162 /nfs/dbraw/zinc/38/81/62/309388162.db2.gz BJDBXDRNAIOMTG-JCHJZTRSSA-N 2 0 336.426 3.089 20 0 EGADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423164433 309388850 /nfs/dbraw/zinc/38/88/50/309388850.db2.gz OPLZENMRQZMGLM-PIKOESSRSA-N 2 0 330.472 3.180 20 0 EGADRP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177816 309389287 /nfs/dbraw/zinc/38/92/87/309389287.db2.gz JPNYXAAQSCTCNI-KRWDZBQOSA-N 2 0 329.513 3.164 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)(F)F ZINC000423181626 309389348 /nfs/dbraw/zinc/38/93/48/309389348.db2.gz LGWOZPZNWGPXBQ-JGGQBBKZSA-N 2 0 328.378 3.420 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423201595 309390199 /nfs/dbraw/zinc/39/01/99/309390199.db2.gz JASBJPPPHCNOBD-OAHLLOKOSA-N 2 0 345.437 3.188 20 0 EGADRP C[NH2+]CCC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423201866 309390363 /nfs/dbraw/zinc/39/03/63/309390363.db2.gz PZBJCSDFZLECNU-MRXNPFEDSA-N 2 0 338.455 3.173 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423269348 309393270 /nfs/dbraw/zinc/39/32/70/309393270.db2.gz FNCOTJAGROITTF-JCKWVBRZSA-N 2 0 330.476 3.139 20 0 EGADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423273941 309393667 /nfs/dbraw/zinc/39/36/67/309393667.db2.gz LFRWXMYCSXEHHS-HZPDHXFCSA-N 2 0 325.294 3.343 20 0 EGADRP [NH3+]C[C@@H](N[C@@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423283040 309393917 /nfs/dbraw/zinc/39/39/17/309393917.db2.gz VSBAAAMWIYJFSC-ZIAGYGMSSA-N 2 0 329.669 3.417 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292796 309394273 /nfs/dbraw/zinc/39/42/73/309394273.db2.gz OLVGUTMRWXQCBJ-CVEARBPZSA-N 2 0 339.483 3.236 20 0 EGADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423304519 309394716 /nfs/dbraw/zinc/39/47/16/309394716.db2.gz OHIDABFSPBUHTB-YMTOWFKASA-N 2 0 327.291 3.041 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423318129 309395054 /nfs/dbraw/zinc/39/50/54/309395054.db2.gz CCWHGJKULXYPMX-ZIFCJYIRSA-N 2 0 345.531 3.197 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423320512 309395156 /nfs/dbraw/zinc/39/51/56/309395156.db2.gz FJHGZNCTVXCLHP-OAHLLOKOSA-N 2 0 332.492 3.257 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)cc2)CC1 ZINC000423327304 309395350 /nfs/dbraw/zinc/39/53/50/309395350.db2.gz KCVGXGHVUQXFJH-APWZRJJASA-N 2 0 329.488 3.245 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423327713 309395361 /nfs/dbraw/zinc/39/53/61/309395361.db2.gz LRXORFHTQHCXDT-KUHUBIRLSA-N 2 0 330.476 3.011 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000423334794 309395777 /nfs/dbraw/zinc/39/57/77/309395777.db2.gz RFELNRBMUOJCLT-ZDUSSCGKSA-N 2 0 347.894 3.269 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000423337836 309395986 /nfs/dbraw/zinc/39/59/86/309395986.db2.gz UFHCMAMTTCPNQH-NUJGCVRESA-N 2 0 331.504 3.092 20 0 EGADRP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]CC1 ZINC000423336505 309396032 /nfs/dbraw/zinc/39/60/32/309396032.db2.gz SWRGTIWPMPCEPJ-PWRODBHTSA-N 3 0 341.543 3.266 20 0 EGADRP CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423341434 309396217 /nfs/dbraw/zinc/39/62/17/309396217.db2.gz UKYWIZVTMMJCLE-LJQANCHMSA-N 2 0 343.515 3.236 20 0 EGADRP Brc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)s1 ZINC000423357004 309396859 /nfs/dbraw/zinc/39/68/59/309396859.db2.gz ROPHRYBAGFVFIQ-AWEZNQCLSA-N 2 0 327.291 3.471 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(I)cc1 ZINC000423369175 309397354 /nfs/dbraw/zinc/39/73/54/309397354.db2.gz FQQYDUUVWZEVME-JTNHKYCSSA-N 2 0 344.240 3.082 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000423389189 309398253 /nfs/dbraw/zinc/39/82/53/309398253.db2.gz LGBJLFMPECCKCF-CYBMUJFWSA-N 2 0 341.293 3.116 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423407009 309398835 /nfs/dbraw/zinc/39/88/35/309398835.db2.gz LMKXLCDXEPGXBZ-CVEARBPZSA-N 2 0 331.504 3.337 20 0 EGADRP COC[C@@]1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCC[NH2+]1 ZINC000423414240 309399286 /nfs/dbraw/zinc/39/92/86/309399286.db2.gz MIOCZERINYFDRN-IATRGZMQSA-N 2 0 328.909 3.252 20 0 EGADRP C[N@@H+]1CC[C@H](NC[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000423426690 309399980 /nfs/dbraw/zinc/39/99/80/309399980.db2.gz NIHQGQRRAJCNCX-KSEOMHKRSA-N 2 0 335.495 3.299 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423480937 309401923 /nfs/dbraw/zinc/40/19/23/309401923.db2.gz NSXJDEHAMLOFSZ-SJORKVTESA-N 2 0 332.879 3.285 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)nnn1-c1ccc(C)cc1 ZINC000423490396 309402749 /nfs/dbraw/zinc/40/27/49/309402749.db2.gz XQPZKZVLCVTUNP-RDJZCZTQSA-N 2 0 327.476 3.067 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(I)cc1 ZINC000423492158 309402922 /nfs/dbraw/zinc/40/29/22/309402922.db2.gz LYKPVWKWHPJJDZ-COPLHBTASA-N 2 0 344.240 3.069 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423554624 309406262 /nfs/dbraw/zinc/40/62/62/309406262.db2.gz WZQFZOLYKCJDEV-FUHIMQAGSA-N 2 0 347.934 3.282 20 0 EGADRP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccc2ccccc2c1 ZINC000423612374 309407864 /nfs/dbraw/zinc/40/78/64/309407864.db2.gz OIPBWRHHUQLWEQ-PMACEKPBSA-N 2 0 339.483 3.254 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423797426 309413201 /nfs/dbraw/zinc/41/32/01/309413201.db2.gz MSYBDUHUWBJMGW-ICSRJNTNSA-N 2 0 335.536 3.009 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC2(CC[NH2+]CC2)CC1)CC1CCCCC1 ZINC000424166716 309431719 /nfs/dbraw/zinc/43/17/19/309431719.db2.gz ZYVQIUHLRTXGBW-GOSISDBHSA-N 2 0 335.536 3.057 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424273991 309435489 /nfs/dbraw/zinc/43/54/89/309435489.db2.gz XVTNSLXCGNURER-CABCVRRESA-N 2 0 339.911 3.025 20 0 EGADRP [NH3+]C[C@@H](CN1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000424278100 309435952 /nfs/dbraw/zinc/43/59/52/309435952.db2.gz CXADPLJJXNIXDK-IBGZPJMESA-N 2 0 333.495 3.066 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1F ZINC000426989335 309520889 /nfs/dbraw/zinc/52/08/89/309520889.db2.gz HZHCOCVTLCPZMY-UHFFFAOYSA-N 2 0 349.494 3.016 20 0 EGADRP [NH3+]C1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430603598 309612749 /nfs/dbraw/zinc/61/27/49/309612749.db2.gz KWFCIRJNMAHEMB-UHFFFAOYSA-N 2 0 339.439 3.231 20 0 EGADRP COc1cccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)c1 ZINC000430916196 309620751 /nfs/dbraw/zinc/62/07/51/309620751.db2.gz GSAFEGKBFUCGIW-CYBMUJFWSA-N 2 0 331.485 3.378 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000430918444 309620953 /nfs/dbraw/zinc/62/09/53/309620953.db2.gz MWFJTVXZPUYTQB-QWRGUYRKSA-N 2 0 344.286 3.380 20 0 EGADRP FC(F)(F)c1ccccc1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034749 309623950 /nfs/dbraw/zinc/62/39/50/309623950.db2.gz ZPZNSWVUUOACDQ-UHFFFAOYSA-N 2 0 328.378 3.160 20 0 EGADRP CC(C)Sc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140846 309679776 /nfs/dbraw/zinc/67/97/76/309679776.db2.gz KKPOIPFQABUGFL-UHFFFAOYSA-N 2 0 335.517 3.329 20 0 EGADRP CC(C)(C)CN(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433143783 309679949 /nfs/dbraw/zinc/67/99/49/309679949.db2.gz JAOKWXGPMMAQSC-UHFFFAOYSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433155126 309680274 /nfs/dbraw/zinc/68/02/74/309680274.db2.gz WNWKOFDOWZRUGV-KRWDZBQOSA-N 2 0 343.515 3.017 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000448234156 310000696 /nfs/dbraw/zinc/00/06/96/310000696.db2.gz LKORZJNXALFOED-FHWLQOOXSA-N 2 0 331.504 3.093 20 0 EGADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000449103827 310037373 /nfs/dbraw/zinc/03/73/73/310037373.db2.gz CIZYOPDKWABYGU-UHFFFAOYSA-N 2 0 341.503 3.272 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449196862 310043951 /nfs/dbraw/zinc/04/39/51/310043951.db2.gz ZLOUNECIHJAQJL-INIZCTEOSA-N 2 0 330.472 3.189 20 0 EGADRP COc1cc(F)cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000449248502 310047373 /nfs/dbraw/zinc/04/73/73/310047373.db2.gz HSQKOKPCBSLJFU-UHFFFAOYSA-N 2 0 329.419 3.236 20 0 EGADRP Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000449286780 310050305 /nfs/dbraw/zinc/05/03/05/310050305.db2.gz VKLDAARWCGRAHX-UHFFFAOYSA-N 2 0 344.478 3.438 20 0 EGADRP CC(C)N1CCc2nc(C[NH2+]C(C)(C)CCC[NH+](C)C)sc2C1 ZINC000449526796 310069263 /nfs/dbraw/zinc/06/92/63/310069263.db2.gz FUKXIHDXSBLXHH-UHFFFAOYSA-N 2 0 338.565 3.120 20 0 EGADRP C[C@H]1CN(Cc2cnc3ccccn23)CC[N@H+](Cc2ccccc2)C1 ZINC000449555031 310071414 /nfs/dbraw/zinc/07/14/14/310071414.db2.gz QIAKLRMIVJWZKJ-GOSISDBHSA-N 2 0 334.467 3.288 20 0 EGADRP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000449588514 310074094 /nfs/dbraw/zinc/07/40/94/310074094.db2.gz KYQDZHFEGQRDFH-SRHPJPHMSA-N 2 0 328.500 3.038 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000449699880 310081428 /nfs/dbraw/zinc/08/14/28/310081428.db2.gz ALRVKKPGKNIOEQ-GOSISDBHSA-N 2 0 331.504 3.036 20 0 EGADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449832997 310089660 /nfs/dbraw/zinc/08/96/60/310089660.db2.gz FITRVKLOCIUDNG-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450798424 310143028 /nfs/dbraw/zinc/14/30/28/310143028.db2.gz ZBERUZPRNSBNBS-ACRUOGEOSA-N 2 0 344.547 3.269 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453107520 310258294 /nfs/dbraw/zinc/25/82/94/310258294.db2.gz LICKBTKQDCFJDT-YPAWHYETSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453237356 310265992 /nfs/dbraw/zinc/26/59/92/310265992.db2.gz PUVRQHAAPFJHIM-MJUUVYJYSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000453256688 310267319 /nfs/dbraw/zinc/26/73/19/310267319.db2.gz QZBHMJVTKGHNIC-AZUAARDMSA-N 2 0 338.499 3.300 20 0 EGADRP C[C@H](c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453390979 310274326 /nfs/dbraw/zinc/27/43/26/310274326.db2.gz XSTSANUXZZTRHO-YLJYHZDGSA-N 2 0 332.488 3.191 20 0 EGADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454263268 310300080 /nfs/dbraw/zinc/30/00/80/310300080.db2.gz KGNWUDMZMADUEB-SJORKVTESA-N 2 0 349.523 3.020 20 0 EGADRP CCN1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000455637351 310370729 /nfs/dbraw/zinc/37/07/29/310370729.db2.gz JFWUMIBIGOGQIF-ROUUACIJSA-N 2 0 339.886 3.204 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455836885 310378840 /nfs/dbraw/zinc/37/88/40/310378840.db2.gz BDTRUPCVLUYGQY-KXBFYZLASA-N 2 0 346.519 3.477 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455872151 310380529 /nfs/dbraw/zinc/38/05/29/310380529.db2.gz YPSIEALRUYBKOU-BEFAXECRSA-N 2 0 346.519 3.477 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1C ZINC000455945513 310383145 /nfs/dbraw/zinc/38/31/45/310383145.db2.gz WCWADIWORZIBCI-LJHODMEESA-N 2 0 344.503 3.182 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455945570 310383168 /nfs/dbraw/zinc/38/31/68/310383168.db2.gz WJVSGXUDVWYOGM-IEBWSBKVSA-N 2 0 344.503 3.184 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)cc2c1C ZINC000472145219 310760074 /nfs/dbraw/zinc/76/00/74/310760074.db2.gz CUCIWZGIGNTHNB-UHFFFAOYSA-N 2 0 342.531 3.290 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)[C@@H]1C ZINC000474475436 310794277 /nfs/dbraw/zinc/79/42/77/310794277.db2.gz YKZXGXZYZPGRSM-YDZRNGNQSA-N 2 0 338.536 3.454 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)C1CC1 ZINC000483313746 310947450 /nfs/dbraw/zinc/94/74/50/310947450.db2.gz XSHDILGMUAHQMK-CYBMUJFWSA-N 2 0 341.421 3.345 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000487430370 311023160 /nfs/dbraw/zinc/02/31/60/311023160.db2.gz LOOCLOFVYIBWKQ-OPYAIIAOSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000488414818 311064512 /nfs/dbraw/zinc/06/45/12/311064512.db2.gz FOOGOFJWXMEJHZ-PKOBYXMFSA-N 2 0 336.545 3.289 20 0 EGADRP CC(C)[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000489340044 311100862 /nfs/dbraw/zinc/10/08/62/311100862.db2.gz NZYHOURQQBJDAR-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000491595791 311186155 /nfs/dbraw/zinc/18/61/55/311186155.db2.gz DNPCENLXICUCRT-GFCCVEGCSA-N 2 0 340.393 3.383 20 0 EGADRP COCC(C)(C)C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000494318919 311469878 /nfs/dbraw/zinc/46/98/78/311469878.db2.gz YSIFNMGBLMKIFQ-UHFFFAOYSA-N 2 0 347.547 3.159 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494361432 311472740 /nfs/dbraw/zinc/47/27/40/311472740.db2.gz BXUOSGPWTDYEPR-JKSUJKDBSA-N 2 0 341.540 3.388 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496714455 311754093 /nfs/dbraw/zinc/75/40/93/311754093.db2.gz AKXNGJJPLGQZBW-ARFHVFGLSA-N 2 0 327.513 3.272 20 0 EGADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000502021569 311957821 /nfs/dbraw/zinc/95/78/21/311957821.db2.gz XAMWXHGVQSUQHW-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCC(C)(C)C ZINC000505344485 312020135 /nfs/dbraw/zinc/02/01/35/312020135.db2.gz OYKARCWEMKHNKX-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP c1ccc(CCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506011608 312040655 /nfs/dbraw/zinc/04/06/55/312040655.db2.gz CGQLXQBQPLTGEK-UHFFFAOYSA-N 2 0 330.516 3.444 20 0 EGADRP Cc1ccc(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506056969 312041412 /nfs/dbraw/zinc/04/14/12/312041412.db2.gz QVUNXMCRPUILIB-UHFFFAOYSA-N 2 0 330.516 3.362 20 0 EGADRP C[C@H](NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709144 312100108 /nfs/dbraw/zinc/10/01/08/312100108.db2.gz FWFJCBYOJGYCOJ-AZUAARDMSA-N 3 0 329.532 3.361 20 0 EGADRP CC(C)C[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718456 312100821 /nfs/dbraw/zinc/10/08/21/312100821.db2.gz NTSUXHICHXKHHJ-HLAWJBBLSA-N 2 0 331.548 3.463 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000510873130 312150036 /nfs/dbraw/zinc/15/00/36/312150036.db2.gz QYTJWEBIQJEREX-UHFFFAOYSA-N 2 0 349.950 3.449 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000512191755 312178526 /nfs/dbraw/zinc/17/85/26/312178526.db2.gz AUAODZSHYXOBQE-QZTJIDSGSA-N 2 0 346.515 3.407 20 0 EGADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512636685 312191196 /nfs/dbraw/zinc/19/11/96/312191196.db2.gz NFLHYYCYTNVKQC-VAMGGRTRSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000515089813 312265096 /nfs/dbraw/zinc/26/50/96/312265096.db2.gz NSYWAVOCKLJIKJ-OALUTQOASA-N 2 0 329.532 3.112 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000516059032 312306825 /nfs/dbraw/zinc/30/68/25/312306825.db2.gz XNPJHCWJSVXNCB-JKSUJKDBSA-N 2 0 335.458 3.113 20 0 EGADRP OCCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517918680 312398240 /nfs/dbraw/zinc/39/82/40/312398240.db2.gz HUTHICCFYUMSCM-GHTZIAJQSA-N 2 0 344.499 3.165 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000518777330 312429447 /nfs/dbraw/zinc/42/94/47/312429447.db2.gz AZNWGVBNFQEENL-UHFFFAOYSA-N 2 0 337.467 3.441 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528388914 313081188 /nfs/dbraw/zinc/08/11/88/313081188.db2.gz RSZJIBNHILXKTN-PMACEKPBSA-N 2 0 334.479 3.334 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000528433537 313093224 /nfs/dbraw/zinc/09/32/24/313093224.db2.gz RPVNFTBQMHXWEY-HXUWFJFHSA-N 2 0 336.495 3.437 20 0 EGADRP CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1C ZINC000531710148 313703639 /nfs/dbraw/zinc/70/36/39/313703639.db2.gz LUWAJQGRZUOXMO-OAHLLOKOSA-N 2 0 344.503 3.311 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536878755 314152183 /nfs/dbraw/zinc/15/21/83/314152183.db2.gz VEHYSUGLQBHSNS-JXFKEZNVSA-N 2 0 334.504 3.219 20 0 EGADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000537305685 314173681 /nfs/dbraw/zinc/17/36/81/314173681.db2.gz GDCJXTVJLAABLZ-WTLGNFPFSA-N 2 0 334.504 3.337 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)[C@H](C)C1 ZINC000537478711 314183975 /nfs/dbraw/zinc/18/39/75/314183975.db2.gz ZWHYTSKPDCFCRR-ZRNYENFQSA-N 2 0 340.552 3.307 20 0 EGADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000538197825 314231846 /nfs/dbraw/zinc/23/18/46/314231846.db2.gz RFLSOVZOPUQKOC-TZIWHRDSSA-N 2 0 346.515 3.108 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC(=O)Nc3ccccn3)CC2)C1 ZINC000538613734 314258098 /nfs/dbraw/zinc/25/80/98/314258098.db2.gz FXQGIWCCYGXGHT-FUHWJXTLSA-N 2 0 344.503 3.043 20 0 EGADRP c1sc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)nc1-c1ccccn1 ZINC000539260105 314304202 /nfs/dbraw/zinc/30/42/02/314304202.db2.gz KPROJGSRBCYXTQ-UHFFFAOYSA-N 2 0 342.512 3.212 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCCC1 ZINC000540170599 314366786 /nfs/dbraw/zinc/36/67/86/314366786.db2.gz HCZPHGURQKKVNG-HXUWFJFHSA-N 2 0 345.531 3.427 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C)[C@H](C)C1 ZINC000540191519 314369334 /nfs/dbraw/zinc/36/93/34/314369334.db2.gz UCPQSJABPRBFNG-MOPGFXCFSA-N 2 0 334.504 3.100 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000550278642 315122806 /nfs/dbraw/zinc/12/28/06/315122806.db2.gz XOLUNFQQNPNGEV-QGZVFWFLSA-N 2 0 342.830 3.020 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551788331 315168143 /nfs/dbraw/zinc/16/81/43/315168143.db2.gz CTBVZIHLUHNZAK-UXHICEINSA-N 2 0 346.515 3.323 20 0 EGADRP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552247139 315208620 /nfs/dbraw/zinc/20/86/20/315208620.db2.gz CPDWZCCXRUYCSZ-XSDIEEQYSA-N 2 0 330.516 3.428 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000554918088 315356894 /nfs/dbraw/zinc/35/68/94/315356894.db2.gz SDAFUBQZDYHFSZ-QGZVFWFLSA-N 2 0 326.488 3.215 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555525191 315387606 /nfs/dbraw/zinc/38/76/06/315387606.db2.gz YMKQYEQMQRMKGX-DZGCQCFKSA-N 2 0 337.305 3.238 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559259855 315624350 /nfs/dbraw/zinc/62/43/50/315624350.db2.gz IMRVIDIUBHSQLZ-HNNXBMFYSA-N 2 0 337.305 3.238 20 0 EGADRP CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000563505761 316030647 /nfs/dbraw/zinc/03/06/47/316030647.db2.gz DIZJVSNOVSZEAM-IBGZPJMESA-N 2 0 344.503 3.168 20 0 EGADRP CC1CCC(O)(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000564375496 316144584 /nfs/dbraw/zinc/14/45/84/316144584.db2.gz ALMUXBHIFDOQMB-SGCCOESXSA-N 2 0 342.527 3.382 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)CCCC[NH3+])ccc21 ZINC000564914360 316231344 /nfs/dbraw/zinc/23/13/44/316231344.db2.gz KJFJRVHJDDHEMB-UHFFFAOYSA-N 2 0 330.476 3.051 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973370 316240473 /nfs/dbraw/zinc/24/04/73/316240473.db2.gz CEZXAVMAKFNSGY-SFHVURJKSA-N 2 0 328.456 3.273 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226300 316294583 /nfs/dbraw/zinc/29/45/83/316294583.db2.gz JEURKYDMRYMZFD-RAIGVLPGSA-N 2 0 329.257 3.379 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432141 316323696 /nfs/dbraw/zinc/32/36/96/316323696.db2.gz YKPNEAICPIHHHM-MRXNPFEDSA-N 2 0 332.410 3.228 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000565828639 316375369 /nfs/dbraw/zinc/37/53/69/316375369.db2.gz XNETTXPUFXSKPW-PBHICJAKSA-N 2 0 344.421 3.321 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000566107031 316417358 /nfs/dbraw/zinc/41/73/58/316417358.db2.gz DMMWATUCORQLLI-OAQYLSRUSA-N 2 0 342.458 3.115 20 0 EGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000566852695 316535810 /nfs/dbraw/zinc/53/58/10/316535810.db2.gz MVBADJHTYOZYDA-AEFFLSMTSA-N 2 0 347.528 3.082 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000569712911 316953478 /nfs/dbraw/zinc/95/34/78/316953478.db2.gz IYNYAYDXTXVWDN-CAOSSQGBSA-N 2 0 349.906 3.343 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000570590922 317078172 /nfs/dbraw/zinc/07/81/72/317078172.db2.gz XWPSXSVHVMMSHE-CQSZACIVSA-N 2 0 327.472 3.096 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000571642734 317227552 /nfs/dbraw/zinc/22/75/52/317227552.db2.gz RYIJJJHTUUVISY-RYUDHWBXSA-N 2 0 329.282 3.453 20 0 EGADRP C[C@H](C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000571849223 317255638 /nfs/dbraw/zinc/25/56/38/317255638.db2.gz GAUCLCANDDTEPO-QGZVFWFLSA-N 2 0 345.531 3.006 20 0 EGADRP c1ccc(-c2n[nH]c(C3CC[NH+](CC[C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000571866681 317258355 /nfs/dbraw/zinc/25/83/55/317258355.db2.gz KACVBRLVCOWXEH-MRXNPFEDSA-N 2 0 339.487 3.041 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)n1 ZINC000572294969 317317742 /nfs/dbraw/zinc/31/77/42/317317742.db2.gz OQMPUMCKBPFHFV-INIZCTEOSA-N 2 0 328.460 3.251 20 0 EGADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000171248799 323226144 /nfs/dbraw/zinc/22/61/44/323226144.db2.gz TZJKIHZOMQUVMB-KURKYZTESA-N 2 0 343.515 3.160 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccoc2)CC1 ZINC000178133578 323351610 /nfs/dbraw/zinc/35/16/10/323351610.db2.gz ITKVKIPABCETAY-QGZVFWFLSA-N 2 0 327.472 3.268 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000179460768 323389486 /nfs/dbraw/zinc/38/94/86/323389486.db2.gz LDXOEBOBCSTJIJ-OEBLSADRSA-N 2 0 336.479 3.315 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4COc5ccccc5C4)[C@H]3C2)cc1 ZINC000380816694 324244988 /nfs/dbraw/zinc/24/49/88/324244988.db2.gz DPUFIQWIVIPHCU-LRSLUSHPSA-N 2 0 348.490 3.490 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCCC[NH+]1C ZINC000397985287 324295070 /nfs/dbraw/zinc/29/50/70/324295070.db2.gz ODTYVCMIDANMRG-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398010115 324295108 /nfs/dbraw/zinc/29/51/08/324295108.db2.gz RZPODAWBUMBJMZ-QXAKKESOSA-N 2 0 345.531 3.037 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000575248732 324444889 /nfs/dbraw/zinc/44/48/89/324444889.db2.gz QZEKXDPVUKTOTQ-HXUWFJFHSA-N 2 0 348.531 3.145 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000575880985 324500372 /nfs/dbraw/zinc/50/03/72/324500372.db2.gz CRIBGYFERVZFJW-HKUYNNGSSA-N 2 0 341.430 3.438 20 0 EGADRP C[C@@H](CC[NH2+]C[C@H](O)CN(C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222257 325079135 /nfs/dbraw/zinc/07/91/35/325079135.db2.gz GFAXRHGIRZABNX-GUYCJALGSA-N 2 0 344.421 3.244 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000579287597 325088276 /nfs/dbraw/zinc/08/82/76/325088276.db2.gz LYKYFSGNGLGVIU-SJORKVTESA-N 2 0 334.504 3.263 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000581070062 325326558 /nfs/dbraw/zinc/32/65/58/325326558.db2.gz YFLCFRVVFCAPAW-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@H]2C[C@@H](C)C[NH+](Cc3ccccc3)C2)C1 ZINC000581694591 325383018 /nfs/dbraw/zinc/38/30/18/325383018.db2.gz YHMYHFQLKCMTQW-NRSPTQNISA-N 2 0 329.532 3.217 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495351697 458839930 /nfs/dbraw/zinc/83/99/30/458839930.db2.gz HHMIQEGHRHLKGZ-HUUCEWRRSA-N 2 0 327.513 3.094 20 0 EGADRP CC(C)[NH+](CCCNC(=O)N(CC[NH+](C)C)C1CCCC1)C(C)C ZINC000468016541 458996263 /nfs/dbraw/zinc/99/62/63/458996263.db2.gz LFSQRIOVMYSTHI-UHFFFAOYSA-N 2 0 340.556 3.011 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183222804 455254144 /nfs/dbraw/zinc/25/41/44/455254144.db2.gz ZUPWDXUIXYTXED-HNNXBMFYSA-N 2 0 325.447 3.033 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000180848470 455255727 /nfs/dbraw/zinc/25/57/27/455255727.db2.gz HXARJNOFLKFRSR-HOCLYGCPSA-N 2 0 330.501 3.210 20 0 EGADRP O=C(CC1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000238142384 455256224 /nfs/dbraw/zinc/25/62/24/455256224.db2.gz SJNGQNBHYOKVIH-UHFFFAOYSA-N 2 0 343.515 3.069 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000189933874 455256385 /nfs/dbraw/zinc/25/63/85/455256385.db2.gz BLWDLNLKPSLMOA-KRWDZBQOSA-N 2 0 329.488 3.500 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000264707451 455267444 /nfs/dbraw/zinc/26/74/44/455267444.db2.gz ANRQWWQCEPDUPT-ZDUSSCGKSA-N 2 0 348.459 3.062 20 0 EGADRP COC(=O)c1oc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000181191088 455299889 /nfs/dbraw/zinc/29/98/89/455299889.db2.gz RFNPDSPMSHZMAJ-OAHLLOKOSA-N 2 0 336.476 3.489 20 0 EGADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158468727 455305867 /nfs/dbraw/zinc/30/58/67/455305867.db2.gz NWLDVEUJRRSYCT-OALUTQOASA-N 2 0 330.520 3.138 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2nccc(OC)c2OC)CC1 ZINC000190405914 455309817 /nfs/dbraw/zinc/30/98/17/455309817.db2.gz ZPUHDOWNTIIWMR-UHFFFAOYSA-N 2 0 335.492 3.043 20 0 EGADRP O[C@H](C[NH2+]CCSCc1cccc2ccccc21)C[NH+]1CCCC1 ZINC000600721201 460578622 /nfs/dbraw/zinc/57/86/22/460578622.db2.gz UDQLADCXNJHOPB-LJQANCHMSA-N 2 0 344.524 3.119 20 0 EGADRP CC[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](C)C1 ZINC000245732428 455368190 /nfs/dbraw/zinc/36/81/90/455368190.db2.gz IWVSSZVDIFHGLC-QFBILLFUSA-N 2 0 333.545 3.378 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000081283283 453856167 /nfs/dbraw/zinc/85/61/67/453856167.db2.gz QIPYYABODWZEMV-PXNSSMCTSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081578832 453890497 /nfs/dbraw/zinc/89/04/97/453890497.db2.gz ZEQKBPMLGOKWKL-OAHLLOKOSA-N 2 0 337.895 3.332 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000040622929 453953516 /nfs/dbraw/zinc/95/35/16/453953516.db2.gz FGMNHYJYBKFLTG-AWEZNQCLSA-N 2 0 341.293 3.278 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000076130258 453968950 /nfs/dbraw/zinc/96/89/50/453968950.db2.gz MSRXCGOGXYKXGL-LJQANCHMSA-N 2 0 340.471 3.173 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)o1 ZINC000041793842 453978864 /nfs/dbraw/zinc/97/88/64/453978864.db2.gz BCVRBGCOZVBMMR-UHFFFAOYSA-N 2 0 335.492 3.116 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000076677794 454024939 /nfs/dbraw/zinc/02/49/39/454024939.db2.gz VDHXEDYWJACXGU-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1F ZINC000056522497 454064761 /nfs/dbraw/zinc/06/47/61/454064761.db2.gz GDGMKZTYCJGCPN-OAHLLOKOSA-N 2 0 335.467 3.125 20 0 EGADRP CC(C)[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056524838 454065345 /nfs/dbraw/zinc/06/53/45/454065345.db2.gz BHIKTRZZKFETRY-OAQYLSRUSA-N 2 0 345.531 3.164 20 0 EGADRP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000245959202 455407667 /nfs/dbraw/zinc/40/76/67/455407667.db2.gz DCHQYZMKJDFYLC-AZUAARDMSA-N 2 0 334.504 3.219 20 0 EGADRP CC(C)CC[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000077211821 454075868 /nfs/dbraw/zinc/07/58/68/454075868.db2.gz FKCNEAPXUOEZAB-GOSISDBHSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C2CC2)cc1)C(C)C ZINC000057704210 454142115 /nfs/dbraw/zinc/14/21/15/454142115.db2.gz IXUXLRZLBAIWHZ-MRXNPFEDSA-N 2 0 331.504 3.129 20 0 EGADRP CCc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000089603368 454167064 /nfs/dbraw/zinc/16/70/64/454167064.db2.gz QNOLKKRQCPBJLL-QGZVFWFLSA-N 2 0 325.456 3.462 20 0 EGADRP [NH3+][C@@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000119643126 454209707 /nfs/dbraw/zinc/20/97/07/454209707.db2.gz VKFQQXZZCPRGDJ-QUCCMNQESA-N 2 0 343.515 3.191 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1C[NH+]1CCCCC1 ZINC000095984902 454251643 /nfs/dbraw/zinc/25/16/43/454251643.db2.gz FJVTXJMZDIYXIH-KRWDZBQOSA-N 2 0 345.531 3.426 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC2(C)C)cc1 ZINC000090038607 454265355 /nfs/dbraw/zinc/26/53/55/454265355.db2.gz KMNNGFGOWVYGCA-GOSISDBHSA-N 2 0 331.504 3.036 20 0 EGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522792 454315678 /nfs/dbraw/zinc/31/56/78/454315678.db2.gz IASXNDYFKXXZKO-ZFCZOSEKSA-N 2 0 328.500 3.277 20 0 EGADRP C1C[C@@]2(CS1)C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000090542454 454318486 /nfs/dbraw/zinc/31/84/86/454318486.db2.gz KVEGZNCBSUKSCV-MJGOQNOKSA-N 2 0 338.561 3.428 20 0 EGADRP Cc1cc2ncc([C@@H](C)NCCC[NH+]3CCC(C)CC3)c(C)n2n1 ZINC000120574882 454320301 /nfs/dbraw/zinc/32/03/01/454320301.db2.gz YQNZWRKIKUSIEU-MRXNPFEDSA-N 2 0 329.492 3.119 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n(-c2ccccc2)n1 ZINC000090601390 454326340 /nfs/dbraw/zinc/32/63/40/454326340.db2.gz XOXIVCYCTIXIQL-ILZDJORESA-N 2 0 338.499 3.328 20 0 EGADRP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC[C@@H]1CCCC[NH+]1C ZINC000072725134 454332529 /nfs/dbraw/zinc/33/25/29/454332529.db2.gz FHVYAEPHVSCNCH-KRWDZBQOSA-N 2 0 339.430 3.100 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C)c1 ZINC000090936836 454351134 /nfs/dbraw/zinc/35/11/34/454351134.db2.gz LPEJJYLFKOPNJF-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000090937182 454353374 /nfs/dbraw/zinc/35/33/74/454353374.db2.gz MRTDTQIFBMZYOR-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000090964888 454355136 /nfs/dbraw/zinc/35/51/36/454355136.db2.gz NOSAFOQNKVSAFR-GOSISDBHSA-N 2 0 344.499 3.385 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)c1 ZINC000079307406 454395872 /nfs/dbraw/zinc/39/58/72/454395872.db2.gz FTUPHKIMLSTQIK-SFHVURJKSA-N 2 0 345.531 3.265 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000121171700 454400760 /nfs/dbraw/zinc/40/07/60/454400760.db2.gz UFHCVAYKYXVIDB-FUHWJXTLSA-N 2 0 333.545 3.087 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000121177679 454401968 /nfs/dbraw/zinc/40/19/68/454401968.db2.gz CXAHFFQYXHGDSC-ROUUACIJSA-N 2 0 329.532 3.100 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000121172189 454402588 /nfs/dbraw/zinc/40/25/88/454402588.db2.gz UFHCVAYKYXVIDB-AEFFLSMTSA-N 2 0 333.545 3.087 20 0 EGADRP C[C@@H](NCC[N@H+](C)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000133228491 454403390 /nfs/dbraw/zinc/40/33/90/454403390.db2.gz YAURBSKPPDLVHB-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000097162450 454419651 /nfs/dbraw/zinc/41/96/51/454419651.db2.gz NAELIHJFDUAJGD-GOSISDBHSA-N 2 0 326.488 3.437 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)CC1 ZINC000133621672 454447256 /nfs/dbraw/zinc/44/72/56/454447256.db2.gz HODCWNYXVGVNSJ-HXUWFJFHSA-N 2 0 343.515 3.041 20 0 EGADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1F ZINC000121845969 454484540 /nfs/dbraw/zinc/48/45/40/454484540.db2.gz ADURGIYCKXJDCZ-QRQLOZEOSA-N 2 0 332.463 3.325 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OCC(C)C)C2)CC1 ZINC000091964514 454497398 /nfs/dbraw/zinc/49/73/98/454497398.db2.gz ZRTMHRXJFKGLSU-HXUWFJFHSA-N 2 0 345.531 3.075 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122908148 454580988 /nfs/dbraw/zinc/58/09/88/454580988.db2.gz BEMNBRBEPSWTJU-PMACEKPBSA-N 2 0 329.532 3.186 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000092746332 454623832 /nfs/dbraw/zinc/62/38/32/454623832.db2.gz WZRQGHGNPGTBAH-FXAWDEMLSA-N 2 0 345.531 3.136 20 0 EGADRP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000634994368 460644324 /nfs/dbraw/zinc/64/43/24/460644324.db2.gz ALWFOEHZIBDWAH-QZTJIDSGSA-N 2 0 336.483 3.152 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CC3 ZINC000123350674 454628116 /nfs/dbraw/zinc/62/81/16/454628116.db2.gz JVXPXRMFEPSEOI-BZUAXINKSA-N 2 0 341.499 3.496 20 0 EGADRP C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123393311 454632104 /nfs/dbraw/zinc/63/21/04/454632104.db2.gz GROZMBUVSIKNIW-KRWDZBQOSA-N 2 0 343.515 3.018 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093088578 454680731 /nfs/dbraw/zinc/68/07/31/454680731.db2.gz AJGUEKUEQLRXMY-UHFFFAOYSA-N 2 0 340.515 3.322 20 0 EGADRP Fc1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000635004443 460648067 /nfs/dbraw/zinc/64/80/67/460648067.db2.gz OOVINSZBYREQKQ-HFGWPOCOSA-N 2 0 338.854 3.287 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCc2nccn2C)cc1 ZINC000635005183 460648198 /nfs/dbraw/zinc/64/81/98/460648198.db2.gz HMXRWFYBRWFUOO-JFIYKMOQSA-N 2 0 342.487 3.167 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000093396904 454711526 /nfs/dbraw/zinc/71/15/26/454711526.db2.gz QRDAMDFAJKEBLW-KRWDZBQOSA-N 2 0 344.528 3.002 20 0 EGADRP CN(c1ccccc1C[N@H+](C)CCOCC1CC1)C1CC[NH+](C)CC1 ZINC000093818591 454737778 /nfs/dbraw/zinc/73/77/78/454737778.db2.gz SPFGPAZILABCCY-UHFFFAOYSA-N 2 0 345.531 3.075 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635007835 460651491 /nfs/dbraw/zinc/65/14/91/460651491.db2.gz BNDHPJDAIQKLMJ-JSGCOSHPSA-N 2 0 325.522 3.069 20 0 EGADRP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000635008930 460651676 /nfs/dbraw/zinc/65/16/76/460651676.db2.gz WJGXCDYJBUWADH-XLWVJDPXSA-N 2 0 329.469 3.358 20 0 EGADRP CSc1ccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000635007672 460651692 /nfs/dbraw/zinc/65/16/92/460651692.db2.gz GCOPISYDILZPGH-AWEZNQCLSA-N 2 0 328.485 3.386 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000162499706 454779624 /nfs/dbraw/zinc/77/96/24/454779624.db2.gz RSVXHBSGRRHLPE-NRFANRHFSA-N 2 0 340.467 3.413 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010964 460654186 /nfs/dbraw/zinc/65/41/86/460654186.db2.gz WVYFHGWGWZGJRH-SFHVURJKSA-N 2 0 338.455 3.125 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000125001204 454790042 /nfs/dbraw/zinc/79/00/42/454790042.db2.gz WBGGPKDBIBWELF-MMKMLUHNSA-N 2 0 329.532 3.450 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCOc3ccccc32)C[C@@H](C)O1 ZINC000162863391 454805309 /nfs/dbraw/zinc/80/53/09/454805309.db2.gz GTNHGVUJQHAUSV-ZHALLVOQSA-N 2 0 332.488 3.379 20 0 EGADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163181828 454828223 /nfs/dbraw/zinc/82/82/23/454828223.db2.gz LPXOZRYYTLLPOS-DYESRHJHSA-N 2 0 342.483 3.320 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000153801903 454835058 /nfs/dbraw/zinc/83/50/58/454835058.db2.gz KBNQSPFWZJTTAC-INIZCTEOSA-N 2 0 346.393 3.130 20 0 EGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635011839 460656141 /nfs/dbraw/zinc/65/61/41/460656141.db2.gz IAMFJGWPAKNXHB-JSXRDJHFSA-N 2 0 327.516 3.080 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000177508272 454871793 /nfs/dbraw/zinc/87/17/93/454871793.db2.gz RPKWGHHLOIBIHI-CALCHBBNSA-N 2 0 326.525 3.013 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](c2ccccc2C)C(C)C)CC1 ZINC000112412238 454886604 /nfs/dbraw/zinc/88/66/04/454886604.db2.gz HINKFGHQXCUZRT-NRFANRHFSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777701 454890798 /nfs/dbraw/zinc/89/07/98/454890798.db2.gz VFTUFGKBESOFRM-QZTJIDSGSA-N 2 0 329.488 3.048 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)c(Cl)c1 ZINC000154395150 454892166 /nfs/dbraw/zinc/89/21/66/454892166.db2.gz GXYMOQCIKZXZCT-AWEZNQCLSA-N 2 0 327.875 3.157 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112673435 454895564 /nfs/dbraw/zinc/89/55/64/454895564.db2.gz XRALISCVZRMYOT-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165292125 454897824 /nfs/dbraw/zinc/89/78/24/454897824.db2.gz WTRORUDDXDWVNW-AZUAARDMSA-N 2 0 326.488 3.025 20 0 EGADRP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000165295726 454897836 /nfs/dbraw/zinc/89/78/36/454897836.db2.gz SJAGLPAOXLZZBI-SFHVURJKSA-N 2 0 347.522 3.154 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000154458996 454898541 /nfs/dbraw/zinc/89/85/41/454898541.db2.gz HPOJOZASKABNPU-RDTXWAMCSA-N 2 0 334.485 3.073 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000154530006 454904724 /nfs/dbraw/zinc/90/47/24/454904724.db2.gz BICAULUQGTUNFZ-OAQYLSRUSA-N 2 0 345.531 3.080 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000166740857 454915821 /nfs/dbraw/zinc/91/58/21/454915821.db2.gz SINLEMPKWMBUCH-DNVCBOLYSA-N 2 0 325.456 3.065 20 0 EGADRP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)CC1CC[NH+](C)CC1 ZINC000154688750 454919932 /nfs/dbraw/zinc/91/99/32/454919932.db2.gz KYVWQAHBKIHNOM-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000178035621 454928846 /nfs/dbraw/zinc/92/88/46/454928846.db2.gz GGBUYIMLULWDJE-OAGGEKHMSA-N 2 0 338.467 3.374 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000178035599 454928998 /nfs/dbraw/zinc/92/89/98/454928998.db2.gz GGBUYIMLULWDJE-XHSDSOJGSA-N 2 0 338.467 3.374 20 0 EGADRP CC[N@@H+]1CC[C@H](NCc2cccc(NC(=O)CC(C)C)c2)[C@H](C)C1 ZINC000154785974 454929032 /nfs/dbraw/zinc/92/90/32/454929032.db2.gz MNWFVKYMJFDXRX-APWZRJJASA-N 2 0 331.504 3.491 20 0 EGADRP COCc1ccc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000126997298 454931054 /nfs/dbraw/zinc/93/10/54/454931054.db2.gz LVIQUQZGPBPZMC-GOSISDBHSA-N 2 0 328.456 3.080 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000151102202 454937547 /nfs/dbraw/zinc/93/75/47/454937547.db2.gz RQKVAZMJFJXLSR-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP CCOc1ncccc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151187671 454949581 /nfs/dbraw/zinc/94/95/81/454949581.db2.gz DGSMQTPUUZELET-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155037082 454956381 /nfs/dbraw/zinc/95/63/81/454956381.db2.gz BGVYJJMKSYZQGY-IRXDYDNUSA-N 2 0 335.561 3.474 20 0 EGADRP Cc1nccn1CCCN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000127398629 454961604 /nfs/dbraw/zinc/96/16/04/454961604.db2.gz NTMWKRRBMTZPES-UHFFFAOYSA-N 2 0 332.536 3.414 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000178634521 454965673 /nfs/dbraw/zinc/96/56/73/454965673.db2.gz DNEDJWNYTVZRPV-HXUWFJFHSA-N 2 0 326.488 3.373 20 0 EGADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178717529 454969030 /nfs/dbraw/zinc/96/90/30/454969030.db2.gz RORPPXGBUXRWOJ-LSDHHAIUSA-N 2 0 330.476 3.081 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155219695 454976730 /nfs/dbraw/zinc/97/67/30/454976730.db2.gz MLJHUCVVUAMHAB-UZLBHIALSA-N 3 0 349.950 3.482 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127585817 454979362 /nfs/dbraw/zinc/97/93/62/454979362.db2.gz FKJOOLMXRJVKAN-QZTJIDSGSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178829066 454981624 /nfs/dbraw/zinc/98/16/24/454981624.db2.gz NNYPVKQLCNLUGG-OXQOHEQNSA-N 2 0 343.515 3.236 20 0 EGADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000155586053 455019859 /nfs/dbraw/zinc/01/98/59/455019859.db2.gz GHDIOODHDNCGJL-FXAWDEMLSA-N 2 0 333.520 3.152 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000155666974 455029314 /nfs/dbraw/zinc/02/93/14/455029314.db2.gz OTYOGRUYKVNOAZ-KBXCAEBGSA-N 2 0 325.447 3.032 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@@H]2CCCO2)CC1 ZINC000151868521 455042238 /nfs/dbraw/zinc/04/22/38/455042238.db2.gz NPAQCPZKLRUQMX-ICSRJNTNSA-N 2 0 345.531 3.266 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000155791850 455045886 /nfs/dbraw/zinc/04/58/86/455045886.db2.gz PIMPCIOVPBPXBK-HDICACEKSA-N 2 0 345.531 3.236 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000155903177 455059447 /nfs/dbraw/zinc/05/94/47/455059447.db2.gz QPPNAUPZQPACQG-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CN(C)Cc2ccccc2)cc1 ZINC000152019847 455062633 /nfs/dbraw/zinc/06/26/33/455062633.db2.gz AITMKHNFQJAKBN-HXUWFJFHSA-N 2 0 339.483 3.058 20 0 EGADRP COc1cccc(NC(=O)CC[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000179699359 455068648 /nfs/dbraw/zinc/06/86/48/455068648.db2.gz OTKUCLQYAUWICH-UHFFFAOYSA-N 2 0 347.503 3.078 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000156187725 455091229 /nfs/dbraw/zinc/09/12/29/455091229.db2.gz UVOIKXJJYQNXIC-BBTUJRGHSA-N 3 0 329.532 3.491 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000623656086 460663094 /nfs/dbraw/zinc/66/30/94/460663094.db2.gz MPWSUBLTXOGSDD-ICSRJNTNSA-N 2 0 332.488 3.066 20 0 EGADRP CCCn1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000180181476 455145592 /nfs/dbraw/zinc/14/55/92/455145592.db2.gz OAYMMZYKZYEAIL-ROUUACIJSA-N 2 0 348.535 3.004 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2)C[C@@H](C)O1 ZINC000237403051 455182378 /nfs/dbraw/zinc/18/23/78/455182378.db2.gz QUJRKOYGWYPHEN-IAGOWNOFSA-N 2 0 342.487 3.056 20 0 EGADRP C[C@H](C(=O)NCCCCC[NH+]1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000237568148 455195645 /nfs/dbraw/zinc/19/56/45/455195645.db2.gz RLXNORHYRINNQA-HKUYNNGSSA-N 2 0 331.504 3.095 20 0 EGADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000183054168 455218450 /nfs/dbraw/zinc/21/84/50/455218450.db2.gz SKQHKSHQNNTWEV-BZSNNMDCSA-N 2 0 345.531 3.180 20 0 EGADRP CC(C)c1cnc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000183564852 455306821 /nfs/dbraw/zinc/30/68/21/455306821.db2.gz JRZLKPKOYJXCJV-GJZGRUSLSA-N 2 0 325.522 3.246 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246491730 455500159 /nfs/dbraw/zinc/50/01/59/455500159.db2.gz IJGAWIWUGQMYIK-YSIASYRMSA-N 2 0 343.515 3.030 20 0 EGADRP COCC[N@H+](C)CCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192165855 455567942 /nfs/dbraw/zinc/56/79/42/455567942.db2.gz VLDQWJLIMHGTMW-UHFFFAOYSA-N 2 0 349.700 3.160 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1nccn1C ZINC000182688369 455568991 /nfs/dbraw/zinc/56/89/91/455568991.db2.gz XJILJIPPRFTZCI-KRWDZBQOSA-N 2 0 332.517 3.435 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000182771414 455583723 /nfs/dbraw/zinc/58/37/23/455583723.db2.gz OSVXFLQAXKCZDU-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H](NCC(=O)N(C)CC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682334 455595187 /nfs/dbraw/zinc/59/51/87/455595187.db2.gz KHWQMJZYJJBVEZ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccccc2C(F)(F)F)CCCO1 ZINC000277648357 455623788 /nfs/dbraw/zinc/62/37/88/455623788.db2.gz DMKITMCPLOYSMV-AWEZNQCLSA-N 2 0 330.394 3.296 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000271425895 455632598 /nfs/dbraw/zinc/63/25/98/455632598.db2.gz ABHXMLXJIQTUQW-UFYCRDLUSA-N 2 0 328.500 3.376 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000271432572 455634767 /nfs/dbraw/zinc/63/47/67/455634767.db2.gz BECRKMDYTDNTBO-KZNAEPCWSA-N 2 0 332.513 3.191 20 0 EGADRP CCCCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000284155789 455644512 /nfs/dbraw/zinc/64/45/12/455644512.db2.gz DSXKWTIBKZHNQA-GOSISDBHSA-N 2 0 333.520 3.154 20 0 EGADRP FCCCCC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000284172450 455645770 /nfs/dbraw/zinc/64/57/70/455645770.db2.gz QUONTWKRSNHYLB-IBGZPJMESA-N 2 0 348.510 3.055 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000185892978 455645958 /nfs/dbraw/zinc/64/59/58/455645958.db2.gz GAKMLVXPPSNFBT-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP CCc1ncc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)s1 ZINC000284219490 455653626 /nfs/dbraw/zinc/65/36/26/455653626.db2.gz ZZDJGWJGQYJQCM-UHFFFAOYSA-N 2 0 345.512 3.468 20 0 EGADRP C[C@H]1COCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000192614151 455654559 /nfs/dbraw/zinc/65/45/59/455654559.db2.gz WHOWRHMNFFDIGG-RXVVDRJESA-N 2 0 346.515 3.072 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000271504086 455663006 /nfs/dbraw/zinc/66/30/06/455663006.db2.gz MQMDJIDSSZAFRB-CWFSZBLJSA-N 2 0 332.488 3.114 20 0 EGADRP CCOc1ccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCC ZINC000248030094 455671249 /nfs/dbraw/zinc/67/12/49/455671249.db2.gz QCILPDQFWAWPJC-WMZOPIPTSA-N 2 0 334.504 3.346 20 0 EGADRP COc1ccccc1CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248065354 455677909 /nfs/dbraw/zinc/67/79/09/455677909.db2.gz ZJCXEOVLTJJFOR-YLJYHZDGSA-N 2 0 339.483 3.133 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000192754991 455686413 /nfs/dbraw/zinc/68/64/13/455686413.db2.gz WOURDRFXTJYGOX-CTNGQTDRSA-N 2 0 329.532 3.281 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000268461764 455688537 /nfs/dbraw/zinc/68/85/37/455688537.db2.gz ZMUFFOJQRFNMBL-UHFFFAOYSA-N 2 0 331.287 3.318 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000284472678 455691577 /nfs/dbraw/zinc/69/15/77/455691577.db2.gz UMDKMHHFDZUAKO-NHCUHLMSSA-N 2 0 330.516 3.143 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000186102686 455694172 /nfs/dbraw/zinc/69/41/72/455694172.db2.gz HUYHPVQZHJXEBC-HXUWFJFHSA-N 2 0 329.532 3.296 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccnn1C ZINC000192897209 455713835 /nfs/dbraw/zinc/71/38/35/455713835.db2.gz KYMWDENDBNZUNP-INIZCTEOSA-N 2 0 338.455 3.496 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186318669 455742777 /nfs/dbraw/zinc/74/27/77/455742777.db2.gz LEPHFNCOHBCJCF-CVEARBPZSA-N 2 0 338.565 3.191 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000268968377 455747835 /nfs/dbraw/zinc/74/78/35/455747835.db2.gz YDXNTLKVVSSLFZ-CYBMUJFWSA-N 2 0 341.293 3.290 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268984922 455753783 /nfs/dbraw/zinc/75/37/83/455753783.db2.gz DUYIYAIWFDRVKD-IAGOWNOFSA-N 2 0 334.504 3.012 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269004995 455760233 /nfs/dbraw/zinc/76/02/33/455760233.db2.gz MKEYIFFFNIGXHE-CQSZACIVSA-N 2 0 333.451 3.149 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000269032335 455769268 /nfs/dbraw/zinc/76/92/68/455769268.db2.gz UOWKBMTWXURBHY-PMACEKPBSA-N 2 0 330.516 3.223 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000271835967 455780799 /nfs/dbraw/zinc/78/07/99/455780799.db2.gz PQISANDUZYSCQK-UHFFFAOYSA-N 2 0 338.879 3.489 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)C[C@@H](C)O1 ZINC000278299300 455811100 /nfs/dbraw/zinc/81/11/00/455811100.db2.gz CKXZIKSDIBZGJD-GPMSIDNRSA-N 2 0 334.529 3.139 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000252644168 455825111 /nfs/dbraw/zinc/82/51/11/455825111.db2.gz NMLUFYRJVKJCHT-SBHAEUEKSA-N 2 0 344.547 3.146 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000252644167 455825364 /nfs/dbraw/zinc/82/53/64/455825364.db2.gz NMLUFYRJVKJCHT-DYXWJJEUSA-N 2 0 344.547 3.146 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C2CCC2)cc1 ZINC000187168300 455876405 /nfs/dbraw/zinc/87/64/05/455876405.db2.gz WRZISLHRMXBUFZ-NRFANRHFSA-N 2 0 329.532 3.453 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1Br ZINC000259128521 455898648 /nfs/dbraw/zinc/89/86/48/455898648.db2.gz WKIGYDLFVXDEFD-UHFFFAOYSA-N 2 0 335.245 3.206 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000272293555 455904845 /nfs/dbraw/zinc/90/48/45/455904845.db2.gz FOSLOBIRZFMOCH-TXPKVOOTSA-N 2 0 326.488 3.290 20 0 EGADRP CCOc1cc(C[NH+]2CCC(C[NH2+]C)CC2)ccc1OC(F)F ZINC000261752547 455940786 /nfs/dbraw/zinc/94/07/86/455940786.db2.gz PCIUIBVLLCVPRZ-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000187746569 455946802 /nfs/dbraw/zinc/94/68/02/455946802.db2.gz NNYXJJROKHKFCU-FDFHNCONSA-N 2 0 343.559 3.358 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000261968084 455978579 /nfs/dbraw/zinc/97/85/79/455978579.db2.gz CBVMLPJOGRPWES-OAHLLOKOSA-N 2 0 328.460 3.428 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000262017684 455986734 /nfs/dbraw/zinc/98/67/34/455986734.db2.gz XDLUMIRXJLHQMR-GFCCVEGCSA-N 2 0 344.286 3.383 20 0 EGADRP C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262082618 455994479 /nfs/dbraw/zinc/99/44/79/455994479.db2.gz TZGYRSHXOZCRRH-OXJNMPFZSA-N 2 0 332.451 3.318 20 0 EGADRP C[C@@H](CO[C@H]1CCOC1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286188340 455996167 /nfs/dbraw/zinc/99/61/67/455996167.db2.gz RDIWCWCRVMYLSC-RLHVNXBHSA-N 2 0 346.515 3.213 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262177570 456007971 /nfs/dbraw/zinc/00/79/71/456007971.db2.gz IHDGKKMXKLUGGM-XLIONFOSSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000272612272 456014416 /nfs/dbraw/zinc/01/44/16/456014416.db2.gz ZMZHSKOJYZPKMV-QWFCFKBJSA-N 2 0 326.488 3.162 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262304157 456022474 /nfs/dbraw/zinc/02/24/74/456022474.db2.gz RARVIZCHMQHGHH-FUHIMQAGSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000188243973 456029097 /nfs/dbraw/zinc/02/90/97/456029097.db2.gz IDSXAFYPMGISHD-YSSFQJQWSA-N 2 0 334.479 3.114 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000262614826 456046315 /nfs/dbraw/zinc/04/63/15/456046315.db2.gz CMJBEDDAZUCVME-YLJYHZDGSA-N 2 0 339.483 3.022 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C2([NH3+])CCCC2)CCCC1)c1ccccc1 ZINC000262639390 456050158 /nfs/dbraw/zinc/05/01/58/456050158.db2.gz ISTJMEOPWVYZAT-INIZCTEOSA-N 2 0 329.488 3.038 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1 ZINC000263319112 456125547 /nfs/dbraw/zinc/12/55/47/456125547.db2.gz ZXWUEYQVLOVEQV-XAUMDUMWSA-N 2 0 331.504 3.140 20 0 EGADRP Fc1cc(F)c(C[NH2+]C2CCN(c3ccccn3)CC2)c(F)c1F ZINC000281101048 456133752 /nfs/dbraw/zinc/13/37/52/456133752.db2.gz KYAXSTYXMUVXGE-UHFFFAOYSA-N 2 0 339.336 3.397 20 0 EGADRP COCCOC[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000271177639 456156659 /nfs/dbraw/zinc/15/66/59/456156659.db2.gz IJGLLBKUUWNEDX-HXUWFJFHSA-N 2 0 348.531 3.130 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)c2cccs2)CC1 ZINC000236661134 456163874 /nfs/dbraw/zinc/16/38/74/456163874.db2.gz GEGLEPJRDRWPLY-APWZRJJASA-N 2 0 349.544 3.027 20 0 EGADRP c1cc2cccc(C[NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)c2[nH]1 ZINC000236705835 456171114 /nfs/dbraw/zinc/17/11/14/456171114.db2.gz JHXNMWBXSPZVKZ-UHFFFAOYSA-N 2 0 348.494 3.075 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000263708570 456198521 /nfs/dbraw/zinc/19/85/21/456198521.db2.gz QBKOARJHARQKFZ-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000236928531 456202574 /nfs/dbraw/zinc/20/25/74/456202574.db2.gz RAQKYNKNYOQEKB-WMZOPIPTSA-N 2 0 331.504 3.493 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)CCCCCC[NH3+])cc21 ZINC000236989528 456215623 /nfs/dbraw/zinc/21/56/23/456215623.db2.gz ITYNHDBSJRLIJA-UHFFFAOYSA-N 2 0 330.476 3.051 20 0 EGADRP COc1ncccc1CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290028968 456219801 /nfs/dbraw/zinc/21/98/01/456219801.db2.gz CSWZEBMUBZUBQQ-XLIONFOSSA-N 2 0 339.483 3.133 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ccccc4C3)cc2)CC1 ZINC000237092082 456231818 /nfs/dbraw/zinc/23/18/18/456231818.db2.gz RKYBBJCQOPYDFG-QHCPKHFHSA-N 2 0 349.522 3.081 20 0 EGADRP C[NH+](C)CCOc1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237196793 456246162 /nfs/dbraw/zinc/24/61/62/456246162.db2.gz SKEKWLQPJPJVMW-LJQANCHMSA-N 2 0 341.455 3.046 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H]1SC ZINC000297596723 456259882 /nfs/dbraw/zinc/25/98/82/456259882.db2.gz JRWWUCZTADVPGO-QRVBRYPASA-N 2 0 334.529 3.281 20 0 EGADRP COc1ncccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000290245581 456274105 /nfs/dbraw/zinc/27/41/05/456274105.db2.gz SXOFXKUAGNGCBK-XLIONFOSSA-N 2 0 339.483 3.133 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCOC2)CC3)cc1 ZINC000342872539 456285921 /nfs/dbraw/zinc/28/59/21/456285921.db2.gz CKBIWOSTHIXVAD-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP CSc1cc2c(cc1CN1CCC[C@H]3C[N@H+](C)CC[C@H]31)OCCO2 ZINC000290313752 456287015 /nfs/dbraw/zinc/28/70/15/456287015.db2.gz CJAUXBNOPHWQLP-GOEBONIOSA-N 2 0 348.512 3.096 20 0 EGADRP CC(C)c1ccccc1OCC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352781926 456299576 /nfs/dbraw/zinc/29/95/76/456299576.db2.gz APWBHEQXAKSKIF-UHFFFAOYSA-N 2 0 333.501 3.497 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2cnccc2C)[C@@H](C)C1 ZINC000290387391 456312977 /nfs/dbraw/zinc/31/29/77/456312977.db2.gz OJRNVDCGRFCBRJ-ICSRJNTNSA-N 2 0 333.520 3.049 20 0 EGADRP NC(=O)c1c[nH+]ccc1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000302221821 456322306 /nfs/dbraw/zinc/32/23/06/456322306.db2.gz MOANKXOTBCUWDM-KRWDZBQOSA-N 2 0 344.846 3.083 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@]3(CCN(CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814497 456332032 /nfs/dbraw/zinc/33/20/32/456332032.db2.gz HAKFNVZCDMJDPB-JOCHJYFZSA-N 2 0 341.543 3.460 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000275857063 456334898 /nfs/dbraw/zinc/33/48/98/456334898.db2.gz MCVLLGLGBDZZRM-HXUWFJFHSA-N 2 0 341.503 3.039 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290487831 456341778 /nfs/dbraw/zinc/34/17/78/456341778.db2.gz XQCAAUIENMSQMW-IIBYNOLFSA-N 2 0 339.483 3.435 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000337470822 456355239 /nfs/dbraw/zinc/35/52/39/456355239.db2.gz VGQQUBQLWNSQSD-IBGZPJMESA-N 2 0 337.552 3.366 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000290579134 456371262 /nfs/dbraw/zinc/37/12/62/456371262.db2.gz UKFNLHVZVWIEFN-UHFFFAOYSA-N 2 0 331.460 3.375 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CNC1CC[NH+](C2CC2)CC1 ZINC000298234615 456399596 /nfs/dbraw/zinc/39/95/96/456399596.db2.gz BQBLRUXGAJSIIK-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000282200612 456441668 /nfs/dbraw/zinc/44/16/68/456441668.db2.gz GTNWZXBCCYXPDG-OALUTQOASA-N 2 0 340.483 3.240 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000340446349 456466766 /nfs/dbraw/zinc/46/67/66/456466766.db2.gz MFGQEFHWHHHWSS-CABCVRRESA-N 2 0 329.444 3.139 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340472170 456478865 /nfs/dbraw/zinc/47/88/65/456478865.db2.gz CQGSIKCLVSNUEG-FXAWDEMLSA-N 2 0 334.504 3.454 20 0 EGADRP C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474006 456481047 /nfs/dbraw/zinc/48/10/47/456481047.db2.gz GBKNXHPAHUONBL-FUHWJXTLSA-N 2 0 327.447 3.436 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000340523435 456509319 /nfs/dbraw/zinc/50/93/19/456509319.db2.gz DEHHOONHSPMSPJ-AZUAARDMSA-N 2 0 328.504 3.408 20 0 EGADRP Cc1[nH+]ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)c1Cl ZINC000353165776 456535216 /nfs/dbraw/zinc/53/52/16/456535216.db2.gz VDCKJKUOIOTYGA-UHFFFAOYSA-N 2 0 345.874 3.034 20 0 EGADRP Cc1ncn(-c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)c1C ZINC000291130624 456539592 /nfs/dbraw/zinc/53/95/92/456539592.db2.gz DVNLSEMRZVCOJV-UHFFFAOYSA-N 2 0 338.455 3.302 20 0 EGADRP CSC1(C[NH2+]Cc2cc(F)cc3cccnc32)CC[NH+](C)CC1 ZINC000353188749 456546829 /nfs/dbraw/zinc/54/68/29/456546829.db2.gz MBFYVRVZNAPJLG-UHFFFAOYSA-N 2 0 333.476 3.291 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000348254730 456574587 /nfs/dbraw/zinc/57/45/87/456574587.db2.gz FTQJAMGEKCZALA-PKOBYXMFSA-N 2 0 343.515 3.161 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000353245337 456584561 /nfs/dbraw/zinc/58/45/61/456584561.db2.gz UDDYLMGJYREVAW-JXFKEZNVSA-N 2 0 346.515 3.244 20 0 EGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCCCCC[NH+](C)C ZINC000282668714 456586361 /nfs/dbraw/zinc/58/63/61/456586361.db2.gz NNXBYAIKEJGQER-UHFFFAOYSA-N 2 0 343.519 3.486 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000291300650 456598182 /nfs/dbraw/zinc/59/81/82/456598182.db2.gz WQRDHGYGHURDJC-UHFFFAOYSA-N 2 0 336.430 3.488 20 0 EGADRP CC(C)[NH+](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000299125608 456613432 /nfs/dbraw/zinc/61/34/32/456613432.db2.gz BLCOPUCZEPBLIG-UHFFFAOYSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCC(F)(F)CC1 ZINC000353291152 456615830 /nfs/dbraw/zinc/61/58/30/456615830.db2.gz MUAMQIZRHJUQFQ-AWEZNQCLSA-N 2 0 341.446 3.326 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282771971 456620204 /nfs/dbraw/zinc/62/02/04/456620204.db2.gz WYYWGQHAALATMG-KRWDZBQOSA-N 2 0 337.939 3.278 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000343438567 456621556 /nfs/dbraw/zinc/62/15/56/456621556.db2.gz FPSDQELLZPYJDP-AQNXPRMDSA-N 2 0 344.547 3.032 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000277010809 456651153 /nfs/dbraw/zinc/65/11/53/456651153.db2.gz BWPVDDCLBGRVMJ-FQEVSTJZSA-N 2 0 342.458 3.156 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@@H](C)C1 ZINC000277032500 456659944 /nfs/dbraw/zinc/65/99/44/456659944.db2.gz FJVRGAFBXMPUGQ-LRGNLBRXSA-N 2 0 348.506 3.219 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277129350 456691837 /nfs/dbraw/zinc/69/18/37/456691837.db2.gz GJUWOSFXHOYOKP-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000343541161 456695844 /nfs/dbraw/zinc/69/58/44/456695844.db2.gz RVXILEUTXMOGLC-HNAYVOBHSA-N 2 0 329.488 3.492 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000338207705 456707025 /nfs/dbraw/zinc/70/70/25/456707025.db2.gz PKSWUTLIUZDFHX-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000343569430 456712173 /nfs/dbraw/zinc/71/21/73/456712173.db2.gz KLKJVAHTUBVRQK-KRWDZBQOSA-N 2 0 338.517 3.180 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000343580786 456721555 /nfs/dbraw/zinc/72/15/55/456721555.db2.gz NEVLSKQGLZSIPI-GOSISDBHSA-N 2 0 345.531 3.087 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1O ZINC000277209101 456724543 /nfs/dbraw/zinc/72/45/43/456724543.db2.gz KPIZYNOMKPYNCW-OAHLLOKOSA-N 2 0 332.488 3.328 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000283194308 456733276 /nfs/dbraw/zinc/73/32/76/456733276.db2.gz KWTBMPWNMJPQEY-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000353523564 456735545 /nfs/dbraw/zinc/73/55/45/456735545.db2.gz JZQRZKTZKYGKNO-OXQOHEQNSA-N 2 0 329.488 3.389 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC000283220668 456740839 /nfs/dbraw/zinc/74/08/39/456740839.db2.gz HWZWBSABFNLZGK-OAHLLOKOSA-N 2 0 325.447 3.032 20 0 EGADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000291762874 456749690 /nfs/dbraw/zinc/74/96/90/456749690.db2.gz VQGSJLBWTACAFE-RHSMWYFYSA-N 2 0 345.512 3.231 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353621328 456809186 /nfs/dbraw/zinc/80/91/86/456809186.db2.gz LZCZSHLQGXLYEW-BQFCYCMXSA-N 2 0 340.471 3.134 20 0 EGADRP Cc1ccc(CCCN2CCn3c(nnc3C3CCCC3)C2)cn1 ZINC000353651264 456830186 /nfs/dbraw/zinc/83/01/86/456830186.db2.gz CCUNCXXTCSOHJX-UHFFFAOYSA-N 2 0 325.460 3.088 20 0 EGADRP CO[C@@H](C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000338545318 456838788 /nfs/dbraw/zinc/83/87/88/456838788.db2.gz AFBTYYXXELNCQE-UEXGIBASSA-N 2 0 346.515 3.195 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292076969 456847696 /nfs/dbraw/zinc/84/76/96/456847696.db2.gz LSNTXTGPKJCPIU-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353681945 456852056 /nfs/dbraw/zinc/85/20/56/456852056.db2.gz NANCEESASCYAAJ-GJHJYOIJSA-N 3 0 329.532 3.359 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189250 456880431 /nfs/dbraw/zinc/88/04/31/456880431.db2.gz RERYFJSWBLHRHX-SFHVURJKSA-N 2 0 331.460 3.477 20 0 EGADRP Cc1ccc2nc(CN(CC[NH+](C)C)Cc3ccccc3F)cn2c1 ZINC000348896881 456886701 /nfs/dbraw/zinc/88/67/01/456886701.db2.gz UTYSDCZBSHHHBC-UHFFFAOYSA-N 2 0 340.446 3.346 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339069745 456925805 /nfs/dbraw/zinc/92/58/05/456925805.db2.gz VIBIGKPVYAEQRK-UXHICEINSA-N 2 0 327.516 3.040 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000345162315 456948409 /nfs/dbraw/zinc/94/84/09/456948409.db2.gz SATJAFNUZOOSAL-SFHVURJKSA-N 2 0 345.531 3.408 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cnc3cnccn23)CC1)CC(C)C ZINC000349405076 456963291 /nfs/dbraw/zinc/96/32/91/456963291.db2.gz HOZDQMDMFJUBPT-UHFFFAOYSA-N 2 0 343.519 3.309 20 0 EGADRP Cc1cc(Cl)cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000339204220 456991347 /nfs/dbraw/zinc/99/13/47/456991347.db2.gz MVFJWAOQZQTVTA-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H](C)C1 ZINC000353988398 456992386 /nfs/dbraw/zinc/99/23/86/456992386.db2.gz VJSDZCTWPWXPHK-OALUTQOASA-N 2 0 345.531 3.230 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)CC[C@H]2C)cc1)C(C)C ZINC000354005235 457001574 /nfs/dbraw/zinc/00/15/74/457001574.db2.gz FTWMNHZZZGVWKJ-QGZVFWFLSA-N 2 0 331.504 3.083 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CCC(OC)CC2)[C@@H](C)C1 ZINC000349686857 457016728 /nfs/dbraw/zinc/01/67/28/457016728.db2.gz YBDVJOICEPBMRC-FVELJTHGSA-N 2 0 340.552 3.308 20 0 EGADRP Fc1ccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477550 457045076 /nfs/dbraw/zinc/04/50/76/457045076.db2.gz DLHJLLLALVHSKB-MGPUTAFESA-N 2 0 325.431 3.384 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC(OC)CC2)[C@@H](C)C1 ZINC000359007335 457047276 /nfs/dbraw/zinc/04/72/76/457047276.db2.gz ZTBQBWNYLFRPPP-LHQJTOJGSA-N 2 0 340.552 3.308 20 0 EGADRP COc1ccc(C[NH2+]CCCCNc2ccccn2)c(C)c1OC ZINC000342026399 457066462 /nfs/dbraw/zinc/06/64/62/457066462.db2.gz ORQXMWZGOJHQIE-UHFFFAOYSA-N 2 0 329.444 3.389 20 0 EGADRP CC[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339364368 457068526 /nfs/dbraw/zinc/06/85/26/457068526.db2.gz VXROXZCRTQRXSX-HXUWFJFHSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129441 457082942 /nfs/dbraw/zinc/08/29/42/457082942.db2.gz CYGXQMNQAWUUGF-GJYPPUQNSA-N 2 0 325.456 3.348 20 0 EGADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)nn1 ZINC000342077776 457095594 /nfs/dbraw/zinc/09/55/94/457095594.db2.gz DPOXWMZHKXEOIF-UHFFFAOYSA-N 2 0 341.503 3.177 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000346662427 457099699 /nfs/dbraw/zinc/09/96/99/457099699.db2.gz WVMLRYQBENUSEI-UHFFFAOYSA-N 2 0 325.456 3.078 20 0 EGADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c(OC(F)F)cc1C ZINC000346694058 457115778 /nfs/dbraw/zinc/11/57/78/457115778.db2.gz ROQVRKYUFYDLEB-UHFFFAOYSA-N 2 0 342.430 3.235 20 0 EGADRP CCN(C)c1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000359956234 457171091 /nfs/dbraw/zinc/17/10/91/457171091.db2.gz CGQWUMJCNIGKLH-QZTJIDSGSA-N 2 0 332.536 3.385 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000354389069 457193402 /nfs/dbraw/zinc/19/34/02/457193402.db2.gz WBZGKSXMSPTZOG-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)CC1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000354394288 457196439 /nfs/dbraw/zinc/19/64/39/457196439.db2.gz SLMQOULMEKHLFU-HXUWFJFHSA-N 2 0 343.515 3.014 20 0 EGADRP OCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000356901836 457208455 /nfs/dbraw/zinc/20/84/55/457208455.db2.gz PYJITEAZPIEGKJ-ZOBFTUDESA-N 2 0 328.500 3.038 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347062635 457211692 /nfs/dbraw/zinc/21/16/92/457211692.db2.gz ZZSJQLSJONHQLP-JXFKEZNVSA-N 2 0 340.515 3.416 20 0 EGADRP CCOc1cccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC(F)F ZINC000347078477 457218458 /nfs/dbraw/zinc/21/84/58/457218458.db2.gz VRPSKEIXHLRQKZ-OLZOCXBDSA-N 2 0 328.403 3.246 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000331637819 457222837 /nfs/dbraw/zinc/22/28/37/457222837.db2.gz IDSCSQYFDSWRDE-MAUKXSAKSA-N 2 0 333.451 3.430 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1OC(F)F ZINC000347205643 457288156 /nfs/dbraw/zinc/28/81/56/457288156.db2.gz MEWKRHQUFKGXHC-HNNXBMFYSA-N 2 0 340.414 3.261 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC(F)F ZINC000357038907 457291238 /nfs/dbraw/zinc/29/12/38/457291238.db2.gz AHOZCNLRTMLCNI-HNNXBMFYSA-N 2 0 340.414 3.118 20 0 EGADRP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc(Cl)c1OC ZINC000357047376 457296702 /nfs/dbraw/zinc/29/67/02/457296702.db2.gz JPUPPKZSYHYJJJ-OAHLLOKOSA-N 2 0 338.879 3.179 20 0 EGADRP Fc1cccc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000357087623 457315124 /nfs/dbraw/zinc/31/51/24/457315124.db2.gz WIENUJRRGZRVSI-MRXNPFEDSA-N 2 0 329.419 3.302 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000357111423 457328319 /nfs/dbraw/zinc/32/83/19/457328319.db2.gz NUCYITKQUMZVOX-KURKYZTESA-N 2 0 345.531 3.406 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352488948 457408501 /nfs/dbraw/zinc/40/85/01/457408501.db2.gz WITFKWPOBFXRDA-UHFFFAOYSA-N 2 0 335.467 3.304 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000387657844 457431392 /nfs/dbraw/zinc/43/13/92/457431392.db2.gz MJCQUAZOHSGBSE-OALUTQOASA-N 2 0 345.531 3.039 20 0 EGADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000342699911 457464216 /nfs/dbraw/zinc/46/42/16/457464216.db2.gz WSIXUKYMHWVBGB-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP OC1(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000396782468 457483029 /nfs/dbraw/zinc/48/30/29/457483029.db2.gz KDRHIAHDGYINQJ-UHFFFAOYSA-N 2 0 328.500 3.280 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000398041128 457494057 /nfs/dbraw/zinc/49/40/57/457494057.db2.gz RXWFALASUMRVCW-CRAIPNDOSA-N 2 0 332.879 3.037 20 0 EGADRP Cc1cccc(CC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000399698969 457509823 /nfs/dbraw/zinc/50/98/23/457509823.db2.gz AYEHGAOTPDUMCQ-NHCUHLMSSA-N 2 0 335.495 3.386 20 0 EGADRP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401071428 457524076 /nfs/dbraw/zinc/52/40/76/457524076.db2.gz AYGRSGPYPRONRE-UHIISALHSA-N 2 0 327.241 3.066 20 0 EGADRP Cc1cnc(CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1C ZINC000342800598 457533840 /nfs/dbraw/zinc/53/38/40/457533840.db2.gz SOIZFRTZUITKDR-UHFFFAOYSA-N 2 0 326.488 3.170 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2ccccc2C1 ZINC000361049061 457542183 /nfs/dbraw/zinc/54/21/83/457542183.db2.gz BEFXRICFOXZHSI-LAUBAEHRSA-N 2 0 343.515 3.334 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC(F)F ZINC000404419129 457544408 /nfs/dbraw/zinc/54/44/08/457544408.db2.gz HRFPIOYKTUXWSK-OCCSQVGLSA-N 2 0 328.403 3.246 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000347606118 457544952 /nfs/dbraw/zinc/54/49/52/457544952.db2.gz BRPQMCWPNLCXNG-IAOVAPTHSA-N 2 0 339.911 3.213 20 0 EGADRP Cc1cccnc1CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000404970077 457550574 /nfs/dbraw/zinc/55/05/74/457550574.db2.gz KROHYBDPQUMFKI-RZUBCFFCSA-N 2 0 335.495 3.433 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)c2ccccc2C1 ZINC000361069871 457560710 /nfs/dbraw/zinc/56/07/10/457560710.db2.gz URVQTWCDSLTXOS-NRFANRHFSA-N 2 0 343.515 3.190 20 0 EGADRP c1cn([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000425500742 457579002 /nfs/dbraw/zinc/57/90/02/457579002.db2.gz DOEUGLVGXQVAMA-FQEVSTJZSA-N 2 0 339.487 3.101 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)c2)CC1 ZINC000361183402 457633787 /nfs/dbraw/zinc/63/37/87/457633787.db2.gz UVVZMUNLVPBZJC-WIYYLYMNSA-N 3 0 329.532 3.348 20 0 EGADRP COc1ccc2oc([C@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)c(C)c2c1 ZINC000361182548 457634418 /nfs/dbraw/zinc/63/44/18/457634418.db2.gz CTAYHWXWNUKHGA-HOCLYGCPSA-N 2 0 345.487 3.036 20 0 EGADRP CCOC(C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C)OCC ZINC000374518574 457646913 /nfs/dbraw/zinc/64/69/13/457646913.db2.gz HDHZSQAUJSQFAH-SFHVURJKSA-N 2 0 334.504 3.276 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCc3nc[nH]c32)c1 ZINC000370535688 457668478 /nfs/dbraw/zinc/66/84/78/457668478.db2.gz LFGXLIVEEAUJOZ-INIZCTEOSA-N 2 0 326.444 3.310 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370624605 457684338 /nfs/dbraw/zinc/68/43/38/457684338.db2.gz NBQJIRBQFMQKCU-VWKPWSFCSA-N 2 0 345.506 3.207 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000370654286 457692270 /nfs/dbraw/zinc/69/22/70/457692270.db2.gz XXOLHRPQAZDCIZ-FCEWJHQRSA-N 2 0 335.923 3.486 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671386 457697134 /nfs/dbraw/zinc/69/71/34/457697134.db2.gz QSSVAPSOEYUCAY-NHCUHLMSSA-N 2 0 345.506 3.049 20 0 EGADRP Cc1csc(N2CCC([NH2+]C[C@H](C)N3CCCC[C@@H]3C)CC2)n1 ZINC000361344234 457700389 /nfs/dbraw/zinc/70/03/89/457700389.db2.gz RLKMKGSUCBJSKH-HOTGVXAUSA-N 2 0 336.549 3.273 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000361350579 457702093 /nfs/dbraw/zinc/70/20/93/457702093.db2.gz HHEDYLPXSOOYKH-FQEVSTJZSA-N 2 0 342.487 3.136 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000357834587 457705306 /nfs/dbraw/zinc/70/53/06/457705306.db2.gz MBRIFZFGNLDZGO-WIYYLYMNSA-N 3 0 329.532 3.348 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358085700 457777718 /nfs/dbraw/zinc/77/77/18/457777718.db2.gz NUNRMYDDOSTYBM-HLIPFELVSA-N 2 0 332.536 3.460 20 0 EGADRP C[C@@]1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000375118994 457799131 /nfs/dbraw/zinc/79/91/31/457799131.db2.gz BEVSLBKBAMZMFP-SFTDATJTSA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000444000156 457837369 /nfs/dbraw/zinc/83/73/69/457837369.db2.gz DFPCKMWSJQASCF-FGTMMUONSA-N 2 0 345.531 3.404 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337885 457859565 /nfs/dbraw/zinc/85/95/65/457859565.db2.gz WBCBDYDVMPARAD-NRFANRHFSA-N 2 0 329.532 3.446 20 0 EGADRP CC(=O)N1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C(C)(C)C1 ZINC000411484596 457898996 /nfs/dbraw/zinc/89/89/96/457898996.db2.gz PLCSYWLFWYOZHV-UHFFFAOYSA-N 2 0 343.515 3.115 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)CC2CCCCCC2)CC1 ZINC000411613023 457928051 /nfs/dbraw/zinc/92/80/51/457928051.db2.gz PHGVPWQGJFGJGY-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CCc1nc(C)c([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000358318598 457930331 /nfs/dbraw/zinc/93/03/31/457930331.db2.gz MNBKBDRPYWIKNW-RCBQFDQVSA-N 2 0 337.533 3.042 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1C ZINC000411621721 457931336 /nfs/dbraw/zinc/93/13/36/457931336.db2.gz REUTXWOJJSPDHE-APWZRJJASA-N 2 0 330.472 3.056 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1C ZINC000411621728 457932077 /nfs/dbraw/zinc/93/20/77/457932077.db2.gz REUTXWOJJSPDHE-VQIMIIECSA-N 2 0 330.472 3.056 20 0 EGADRP CCc1ccccc1CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000444683552 457938009 /nfs/dbraw/zinc/93/80/09/457938009.db2.gz HRGNZJKTZUYGSV-UHFFFAOYSA-N 2 0 343.559 3.141 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427067022 457941014 /nfs/dbraw/zinc/94/10/14/457941014.db2.gz KPFQGDGLCFSTIF-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@@H]1C[NH+](CCC(C)CC[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000411674913 457946343 /nfs/dbraw/zinc/94/63/43/457946343.db2.gz NDWXPZKDTCPPPO-WOJBJXKFSA-N 2 0 340.552 3.405 20 0 EGADRP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000411689622 457951863 /nfs/dbraw/zinc/95/18/63/457951863.db2.gz DSXFTJYQHVCFDX-NCQGUEQISA-N 2 0 340.552 3.401 20 0 EGADRP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2C)ccc1OCC[NH+](C)C ZINC000458211122 457971110 /nfs/dbraw/zinc/97/11/10/457971110.db2.gz MIPHUVUYHWLCMB-QGZVFWFLSA-N 2 0 347.503 3.138 20 0 EGADRP C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000361973727 457987628 /nfs/dbraw/zinc/98/76/28/457987628.db2.gz YKFTYBVPYUUIAN-IRXDYDNUSA-N 2 0 327.472 3.304 20 0 EGADRP c1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000375703922 458030086 /nfs/dbraw/zinc/03/00/86/458030086.db2.gz JRWGGKSWSFHGNN-FCHUYYIVSA-N 2 0 336.479 3.423 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000375801369 458070050 /nfs/dbraw/zinc/07/00/50/458070050.db2.gz JMTBVYMHYHUJNG-CBNMVNINSA-N 2 0 348.531 3.053 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435370954 458122662 /nfs/dbraw/zinc/12/26/62/458122662.db2.gz KNDBFERUFSOWFR-GXTWGEPZSA-N 2 0 346.393 3.196 20 0 EGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000435373056 458125134 /nfs/dbraw/zinc/12/51/34/458125134.db2.gz LQIMJMPIDUSTSG-SJLPKXTDSA-N 2 0 340.515 3.398 20 0 EGADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(C)n1 ZINC000362394593 458150496 /nfs/dbraw/zinc/15/04/96/458150496.db2.gz FKHJSIJFDGWDFC-UHFFFAOYSA-N 2 0 338.499 3.217 20 0 EGADRP CN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435611472 458172352 /nfs/dbraw/zinc/17/23/52/458172352.db2.gz SKONLMBGNRYIHG-GOSISDBHSA-N 2 0 349.494 3.027 20 0 EGADRP CN(CCN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435625412 458176357 /nfs/dbraw/zinc/17/63/57/458176357.db2.gz IAYHLHWPYRNYIH-OAQYLSRUSA-N 2 0 338.499 3.162 20 0 EGADRP CCc1cccc(CC)c1NC(=O)CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000435626534 458177016 /nfs/dbraw/zinc/17/70/16/458177016.db2.gz KTFPQCQPQDQJNY-SFHVURJKSA-N 2 0 331.504 3.214 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H]1C ZINC000435726762 458191261 /nfs/dbraw/zinc/19/12/61/458191261.db2.gz RUMWWKSPCISDTC-JFRXWTBNSA-N 2 0 336.520 3.351 20 0 EGADRP CCSc1cccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372109639 458197717 /nfs/dbraw/zinc/19/77/17/458197717.db2.gz UNYHYSVBAIEBRU-QGZVFWFLSA-N 2 0 333.545 3.057 20 0 EGADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000435877043 458216226 /nfs/dbraw/zinc/21/62/26/458216226.db2.gz MVCSQNWXWYJINM-CQSZACIVSA-N 2 0 334.851 3.179 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000429062315 458267302 /nfs/dbraw/zinc/26/73/02/458267302.db2.gz QBJGVNWHGMTCGC-WMLDXEAASA-N 2 0 337.895 3.473 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000447569145 458313601 /nfs/dbraw/zinc/31/36/01/458313601.db2.gz AWTSUXQRQNKLRZ-CYBMUJFWSA-N 2 0 337.533 3.165 20 0 EGADRP CCN(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(C)c1 ZINC000459370650 458347001 /nfs/dbraw/zinc/34/70/01/458347001.db2.gz PHCRIPKITNUKTN-UHFFFAOYSA-N 2 0 338.499 3.475 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2c(F)cc(C)cc2Cl)CC1 ZINC000459381898 458352606 /nfs/dbraw/zinc/35/26/06/458352606.db2.gz VSZGVWOWGYCZBT-UHFFFAOYSA-N 2 0 341.902 3.295 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)[C@H]1Sc1ccccc1 ZINC000459457995 458376950 /nfs/dbraw/zinc/37/69/50/458376950.db2.gz FALLSZQDYNPKNG-IPMKNSEASA-N 2 0 334.529 3.400 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459456244 458377879 /nfs/dbraw/zinc/37/78/79/458377879.db2.gz ZJFFNHMUQJPEOO-RTBURBONSA-N 2 0 336.907 3.240 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373022382 458378617 /nfs/dbraw/zinc/37/86/17/458378617.db2.gz UFCKJTOTEXVCME-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459474497 458385055 /nfs/dbraw/zinc/38/50/55/458385055.db2.gz XYMODZIHPRPSHV-JOCHJYFZSA-N 2 0 336.479 3.420 20 0 EGADRP CC(C)OC1CC([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000459491193 458389932 /nfs/dbraw/zinc/38/99/32/458389932.db2.gz ZUZMMGCLTPTOIQ-UHFFFAOYSA-N 2 0 325.456 3.313 20 0 EGADRP CC[NH+](CC)CCSC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000430100585 458401226 /nfs/dbraw/zinc/40/12/26/458401226.db2.gz VMAMPSRYBBYQBG-LJQANCHMSA-N 2 0 336.545 3.353 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CSC)C2)CC1 ZINC000430194962 458418580 /nfs/dbraw/zinc/41/85/80/458418580.db2.gz LSSPSTKJKJZOSO-GOSISDBHSA-N 2 0 347.572 3.404 20 0 EGADRP Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449841 458434504 /nfs/dbraw/zinc/43/45/04/458434504.db2.gz WRQZLRUQOWLNQK-USXIJHARSA-N 2 0 335.289 3.414 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccccc1I ZINC000423446780 458435137 /nfs/dbraw/zinc/43/51/37/458435137.db2.gz ZBVXWZQMCAAALL-RYUDHWBXSA-N 2 0 346.256 3.459 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423457194 458435179 /nfs/dbraw/zinc/43/51/79/458435179.db2.gz HSZWBQGXHHEKMR-XIRDDKMYSA-N 2 0 327.476 3.052 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C3)cc1 ZINC000423452913 458435596 /nfs/dbraw/zinc/43/55/96/458435596.db2.gz ZNANNHGJYUHPNJ-LILSUDLASA-N 3 0 339.527 3.160 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)nnn1-c1cccc(Cl)c1 ZINC000423478788 458439958 /nfs/dbraw/zinc/43/99/58/458439958.db2.gz LMKUTOQYQAZRSC-XJKSGUPXSA-N 2 0 347.894 3.412 20 0 EGADRP Fc1ccccc1C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423486762 458440870 /nfs/dbraw/zinc/44/08/70/458440870.db2.gz CDYVQBWNBCZUOX-AZUAARDMSA-N 2 0 328.431 3.078 20 0 EGADRP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000423493088 458441954 /nfs/dbraw/zinc/44/19/54/458441954.db2.gz PMCPAAKECXQFTM-IXDOHACOSA-N 2 0 342.405 3.310 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)nnn1-c1ccc(C)cc1 ZINC000423490394 458441969 /nfs/dbraw/zinc/44/19/69/458441969.db2.gz XQPZKZVLCVTUNP-DOTOQJQBSA-N 2 0 327.476 3.067 20 0 EGADRP NC1(C[NH2+]C2CCC3(CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423579458 458459133 /nfs/dbraw/zinc/45/91/33/458459133.db2.gz WHTPWSUVEXVUNG-UHFFFAOYSA-N 2 0 327.516 3.292 20 0 EGADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000459730002 458460379 /nfs/dbraw/zinc/46/03/79/458460379.db2.gz JQJMLLFNVJICOX-CYBMUJFWSA-N 2 0 326.868 3.179 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccn(C)n1 ZINC000459744391 458466098 /nfs/dbraw/zinc/46/60/98/458466098.db2.gz HYURUZFKYQFLQS-CQSZACIVSA-N 2 0 332.879 3.389 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430581464 458466547 /nfs/dbraw/zinc/46/65/47/458466547.db2.gz ONVNHEYTPQNKFP-QWHCGFSZSA-N 2 0 343.393 3.093 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430581462 458466659 /nfs/dbraw/zinc/46/66/59/458466659.db2.gz ONVNHEYTPQNKFP-OLZOCXBDSA-N 2 0 343.393 3.093 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000430618793 458471491 /nfs/dbraw/zinc/47/14/91/458471491.db2.gz WYPHJOVHIRBMKE-SWLSCSKDSA-N 2 0 343.393 3.236 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000430771460 458489134 /nfs/dbraw/zinc/48/91/34/458489134.db2.gz DLHHIHISIKVQGA-MOPGFXCFSA-N 2 0 335.536 3.197 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437843707 458501699 /nfs/dbraw/zinc/50/16/99/458501699.db2.gz RJANHCJPUAIVBK-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP C[NH2+]C[C@@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430928767 458506363 /nfs/dbraw/zinc/50/63/63/458506363.db2.gz MHMNJFHIGULRKN-KRWDZBQOSA-N 2 0 326.440 3.399 20 0 EGADRP Clc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc2c1OCCCO2 ZINC000430957021 458509894 /nfs/dbraw/zinc/50/98/94/458509894.db2.gz NHBBVYAUQCEQSS-UHFFFAOYSA-N 2 0 336.863 3.077 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032662 458518482 /nfs/dbraw/zinc/51/84/82/458518482.db2.gz KJRKYRKWLBGVGJ-AWEZNQCLSA-N 2 0 335.879 3.051 20 0 EGADRP Cc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000468744344 458532957 /nfs/dbraw/zinc/53/29/57/458532957.db2.gz QPJHGHPHHVAWGT-HNNXBMFYSA-N 2 0 347.890 3.398 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC(C)C ZINC000469129578 458556509 /nfs/dbraw/zinc/55/65/09/458556509.db2.gz QLFQHDGHKOSHCH-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)CN(Cc2ccccc2)C1 ZINC000438354951 458569493 /nfs/dbraw/zinc/56/94/93/458569493.db2.gz QQQAHLAFRCHGMT-NYVOZVTQSA-N 2 0 338.495 3.090 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000424149867 458571849 /nfs/dbraw/zinc/57/18/49/458571849.db2.gz XSCDFAMRDCTBOC-QRQLOZEOSA-N 2 0 337.552 3.396 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC000424284207 458604345 /nfs/dbraw/zinc/60/43/45/458604345.db2.gz DCDAUVNMSKIUOL-CYBMUJFWSA-N 2 0 326.843 3.322 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1Cl)CC[NH2+]CC2 ZINC000424290508 458605549 /nfs/dbraw/zinc/60/55/49/458605549.db2.gz MSKDCMGMLRWJFZ-AWEZNQCLSA-N 2 0 335.879 3.133 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424295172 458607550 /nfs/dbraw/zinc/60/75/50/458607550.db2.gz QVDWCWQVFNETGW-AWEZNQCLSA-N 2 0 335.879 3.133 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(OC(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424369854 458625913 /nfs/dbraw/zinc/62/59/13/458625913.db2.gz BQVGCGOTCUPEMI-LBPRGKRZSA-N 2 0 328.378 3.391 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000470261662 458626664 /nfs/dbraw/zinc/62/66/64/458626664.db2.gz UBBLVEWCVYNKRO-WSTZPKSXSA-N 2 0 326.488 3.162 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000462810504 458657255 /nfs/dbraw/zinc/65/72/55/458657255.db2.gz CVWPBIOHVFFTAM-PBWTXFEYSA-N 2 0 331.479 3.114 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494361430 458664090 /nfs/dbraw/zinc/66/40/90/458664090.db2.gz BXUOSGPWTDYEPR-HZPDHXFCSA-N 2 0 341.540 3.388 20 0 EGADRP C[N@@H+](CCc1cccc(Br)c1)CC[C@H]1CCC[NH+]1C ZINC000463423828 458697594 /nfs/dbraw/zinc/69/75/94/458697594.db2.gz LTTKNPGWPALRPJ-MRXNPFEDSA-N 2 0 325.294 3.408 20 0 EGADRP Fc1ccc(/C=C/C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000530249608 458730422 /nfs/dbraw/zinc/73/04/22/458730422.db2.gz WQRCOQNKFHKPOM-ZMXQLYDGSA-N 2 0 336.426 3.069 20 0 EGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432417295 458735923 /nfs/dbraw/zinc/73/59/23/458735923.db2.gz LLGNGEFSDIPDSO-FPOVZHCZSA-N 2 0 348.531 3.318 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547503490 458751699 /nfs/dbraw/zinc/75/16/99/458751699.db2.gz KYQBYUAZMFAOSG-YYWHXJBOSA-N 2 0 330.516 3.428 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472079704 458766581 /nfs/dbraw/zinc/76/65/81/458766581.db2.gz JEEVLCJZWRNQLQ-INIZCTEOSA-N 2 0 342.531 3.148 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000472265563 458779381 /nfs/dbraw/zinc/77/93/81/458779381.db2.gz SIMOCRGVZKBKHT-MRXNPFEDSA-N 2 0 340.895 3.152 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000547733458 458781912 /nfs/dbraw/zinc/78/19/12/458781912.db2.gz ZULGSCUMYCHEPJ-LJQANCHMSA-N 2 0 335.536 3.118 20 0 EGADRP COc1cccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000530939923 458848925 /nfs/dbraw/zinc/84/89/25/458848925.db2.gz KBFFUXOOBIPJJD-HDICACEKSA-N 2 0 346.515 3.407 20 0 EGADRP CC(C)(C)OC(=O)N1CC=C(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000495574401 458886908 /nfs/dbraw/zinc/88/69/08/458886908.db2.gz LBHVFLGPVCCMQK-UHFFFAOYSA-N 2 0 349.519 3.018 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474462869 458887580 /nfs/dbraw/zinc/88/75/80/458887580.db2.gz VVNDPWNVJGUUEH-IXDOHACOSA-N 2 0 337.939 3.448 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000531384531 458909867 /nfs/dbraw/zinc/90/98/67/458909867.db2.gz DFFFACFLTOMCFU-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441397234 458936430 /nfs/dbraw/zinc/93/64/30/458936430.db2.gz TUIDJGZMBVXJPH-QKLQHJQFSA-N 2 0 341.499 3.271 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000519387590 458942765 /nfs/dbraw/zinc/94/27/65/458942765.db2.gz MQQBYLDIQZOARC-DYESRHJHSA-N 2 0 326.484 3.065 20 0 EGADRP COC[C@@H]1CCCC[NH+](C[C@@H](C)C[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000467123376 458952030 /nfs/dbraw/zinc/95/20/30/458952030.db2.gz YBEIAHJVTAGLQH-OWZKRDHZSA-N 2 0 340.552 3.120 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000576943739 458952337 /nfs/dbraw/zinc/95/23/37/458952337.db2.gz VCHQMKLPYFELRC-ZIAGYGMSSA-N 2 0 328.378 3.016 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CC1 ZINC000556586341 458974515 /nfs/dbraw/zinc/97/45/15/458974515.db2.gz SDYSTWBUZDJRNR-JOCHJYFZSA-N 2 0 343.559 3.179 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2C)[C@@H](C)C1 ZINC000531953946 459006126 /nfs/dbraw/zinc/00/61/26/459006126.db2.gz KZFNFYRSWSFJCW-PMACEKPBSA-N 2 0 348.531 3.409 20 0 EGADRP CCCCCNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476980502 459025026 /nfs/dbraw/zinc/02/50/26/459025026.db2.gz GRQWPSSGEQEPIH-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000532188416 459043968 /nfs/dbraw/zinc/04/39/68/459043968.db2.gz IBJZYJLXFTWBGV-PXNSSMCTSA-N 2 0 343.515 3.437 20 0 EGADRP C[C@]1(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC[NH2+]C1 ZINC000496039797 459046459 /nfs/dbraw/zinc/04/64/59/459046459.db2.gz BIKSHRNJMDRXAW-PXNSSMCTSA-N 2 0 345.487 3.019 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1(C)C ZINC000442878704 459050666 /nfs/dbraw/zinc/05/06/66/459050666.db2.gz ULUJKNJPUXRQQT-UXHICEINSA-N 2 0 329.532 3.328 20 0 EGADRP C[C@H](O)[C@](C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000577571594 459051528 /nfs/dbraw/zinc/05/15/28/459051528.db2.gz UOZUZZIEZWJAHA-UWJYYQICSA-N 2 0 330.516 3.080 20 0 EGADRP Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000532248231 459053509 /nfs/dbraw/zinc/05/35/09/459053509.db2.gz MFDHKBQJRCCBNE-DYESRHJHSA-N 2 0 342.483 3.320 20 0 EGADRP COc1sc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000442929075 459063447 /nfs/dbraw/zinc/06/34/47/459063447.db2.gz QUUTWADQTIXEEW-SNVBAGLBSA-N 2 0 333.295 3.080 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442929573 459063575 /nfs/dbraw/zinc/06/35/75/459063575.db2.gz RVENLSJLCRNYTH-OAHLLOKOSA-N 2 0 348.441 3.328 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000496101277 459068571 /nfs/dbraw/zinc/06/85/71/459068571.db2.gz DINUSDFEDKRCMO-MSOLQXFVSA-N 2 0 345.487 3.162 20 0 EGADRP Clc1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000567235045 459071196 /nfs/dbraw/zinc/07/11/96/459071196.db2.gz YGUYFJWCHKHIAP-KRWDZBQOSA-N 2 0 345.874 3.080 20 0 EGADRP COC1CC[NH+](C2(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)CCCC2)CC1 ZINC000520565006 459071588 /nfs/dbraw/zinc/07/15/88/459071588.db2.gz ZICXMVAEAVWNQG-VQTJNVASSA-N 2 0 343.515 3.144 20 0 EGADRP CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1cccs1 ZINC000443057670 459078669 /nfs/dbraw/zinc/07/86/69/459078669.db2.gz HRISJFMVMZFHCF-PBHICJAKSA-N 2 0 337.533 3.012 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058146 459078764 /nfs/dbraw/zinc/07/87/64/459078764.db2.gz JLTGIHARASODCY-MJGOQNOKSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056812 459079762 /nfs/dbraw/zinc/07/97/62/459079762.db2.gz DEKWPYLKXKQUIY-HOTGVXAUSA-N 2 0 325.456 3.228 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443063555 459080832 /nfs/dbraw/zinc/08/08/32/459080832.db2.gz WVNIUFBODWDFGV-AWEZNQCLSA-N 2 0 331.485 3.380 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000557535163 459082259 /nfs/dbraw/zinc/08/22/59/459082259.db2.gz SDLBNTFORCTMPI-GOSISDBHSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1CC(C)C1 ZINC000557574606 459087372 /nfs/dbraw/zinc/08/73/72/459087372.db2.gz IERQWXUPWFXSTB-GOSISDBHSA-N 2 0 343.515 3.019 20 0 EGADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000567355049 459091901 /nfs/dbraw/zinc/09/19/01/459091901.db2.gz VZEREWXKNFIAFJ-MRXNPFEDSA-N 2 0 345.531 3.298 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C1 ZINC000520762766 459092199 /nfs/dbraw/zinc/09/21/99/459092199.db2.gz QHVUFUHZINXLFY-WBVHZDCISA-N 2 0 335.517 3.129 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000590182594 459099255 /nfs/dbraw/zinc/09/92/55/459099255.db2.gz MLSANKQIKLWKQA-APWZRJJASA-N 2 0 336.520 3.353 20 0 EGADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC000577990456 459128486 /nfs/dbraw/zinc/12/84/86/459128486.db2.gz PIBLEKPIGIKXKE-HZPDHXFCSA-N 2 0 328.566 3.387 20 0 EGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567605785 459131963 /nfs/dbraw/zinc/13/19/63/459131963.db2.gz FLNMDWMKOUGVPN-CBQOVEMMSA-N 2 0 338.495 3.263 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c1 ZINC000578126646 459149816 /nfs/dbraw/zinc/14/98/16/459149816.db2.gz MTYASSCCLCJFJM-UZLBHIALSA-N 2 0 337.467 3.189 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000567730135 459155873 /nfs/dbraw/zinc/15/58/73/459155873.db2.gz RCSLJUHCDLZJKU-FGTMMUONSA-N 2 0 345.531 3.169 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000558501304 459168293 /nfs/dbraw/zinc/16/82/93/459168293.db2.gz KZFYDCKXVGKSEQ-GGPKGHCWSA-N 2 0 332.536 3.002 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000496402046 459181629 /nfs/dbraw/zinc/18/16/29/459181629.db2.gz ZXCHFNHKYDZZJU-HNNXBMFYSA-N 2 0 331.460 3.168 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567890097 459184402 /nfs/dbraw/zinc/18/44/02/459184402.db2.gz LPKDDHLJMLUYAF-GDBMZVCRSA-N 2 0 349.906 3.297 20 0 EGADRP COCCOCc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000567963538 459199061 /nfs/dbraw/zinc/19/90/61/459199061.db2.gz AFHVORUMVRVWIP-UHFFFAOYSA-N 2 0 348.531 3.402 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000480625092 459209284 /nfs/dbraw/zinc/20/92/84/459209284.db2.gz MOHCHGOESDQMMW-CEXWTWQISA-N 2 0 347.547 3.398 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496499423 459217013 /nfs/dbraw/zinc/21/70/13/459217013.db2.gz KSPXMYYRAJGQMK-SJORKVTESA-N 2 0 339.524 3.096 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000568140262 459231191 /nfs/dbraw/zinc/23/11/91/459231191.db2.gz CHMYEIQUSNDZMV-NVXWUHKLSA-N 2 0 344.499 3.182 20 0 EGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)CCC[NH3+])c1 ZINC000578626331 459232175 /nfs/dbraw/zinc/23/21/75/459232175.db2.gz JWZXKESXVZYUOP-UHFFFAOYSA-N 2 0 330.476 3.094 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481420999 459253827 /nfs/dbraw/zinc/25/38/27/459253827.db2.gz ZPCKBFDEMPFGFK-IAQYHMDHSA-N 2 0 329.257 3.061 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568249307 459258019 /nfs/dbraw/zinc/25/80/19/459258019.db2.gz NLNBEXATICNCFI-CABCVRRESA-N 2 0 341.293 3.250 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481726486 459271186 /nfs/dbraw/zinc/27/11/86/459271186.db2.gz MYYRUACHGMNEAQ-GHTZIAJQSA-N 3 0 329.532 3.492 20 0 EGADRP CC[C@H](C[N@H+](CC)CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000481736150 459272391 /nfs/dbraw/zinc/27/23/91/459272391.db2.gz MUIZCNCFTLDNEU-GOSISDBHSA-N 2 0 345.531 3.103 20 0 EGADRP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000559763690 459275245 /nfs/dbraw/zinc/27/52/45/459275245.db2.gz USLCKTFCIXUNHZ-QGZVFWFLSA-N 2 0 342.405 3.392 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000482348617 459304488 /nfs/dbraw/zinc/30/44/88/459304488.db2.gz FZHAMYAWFRVFQK-FQEVSTJZSA-N 2 0 329.532 3.272 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000582215889 459326477 /nfs/dbraw/zinc/32/64/77/459326477.db2.gz SVDLINXXORVJIX-OAHLLOKOSA-N 2 0 329.488 3.344 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000496852898 459347551 /nfs/dbraw/zinc/34/75/51/459347551.db2.gz CIWQUWOJCGCAJG-BPQIPLTHSA-N 2 0 333.476 3.007 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000496957069 459384984 /nfs/dbraw/zinc/38/49/84/459384984.db2.gz PYLIFZWILXSOJM-YYIAUSFCSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Oc1cccc(Br)c1 ZINC000483817232 459394655 /nfs/dbraw/zinc/39/46/55/459394655.db2.gz KGWBGGLSWJHZBS-IOASZLSFSA-N 2 0 341.293 3.146 20 0 EGADRP Cc1cc(C)c([C@H](C)[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c(C)c1 ZINC000569105954 459396740 /nfs/dbraw/zinc/39/67/40/459396740.db2.gz DEMYFQCAXMFPNG-SFHVURJKSA-N 2 0 330.516 3.499 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000525173132 459424010 /nfs/dbraw/zinc/42/40/10/459424010.db2.gz GYKCCVKFNKIKJU-PZJWPPBQSA-N 2 0 329.532 3.108 20 0 EGADRP CC[NH+]1CCC(N(C)CC(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000484911710 459434624 /nfs/dbraw/zinc/43/46/24/459434624.db2.gz RTSAHDGFSSJXTF-UHFFFAOYSA-N 2 0 339.568 3.323 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000561291846 459440412 /nfs/dbraw/zinc/44/04/12/459440412.db2.gz HENQTXVFYQJHRX-KCZVDYSFSA-N 2 0 343.559 3.213 20 0 EGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000583495130 459548370 /nfs/dbraw/zinc/54/83/70/459548370.db2.gz QUKBAKQNMREWIV-HXUWFJFHSA-N 2 0 346.515 3.040 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000527348791 459632626 /nfs/dbraw/zinc/63/26/26/459632626.db2.gz WOTMEIBTUZVDRN-RTWAWAEBSA-N 2 0 329.532 3.015 20 0 EGADRP CCCN(CC(C)C)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000573263646 459650852 /nfs/dbraw/zinc/65/08/52/459650852.db2.gz DTPDCSWZSKIPNC-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCCCC1 ZINC000573434506 459676514 /nfs/dbraw/zinc/67/65/14/459676514.db2.gz BTAVSKLVDUTKAG-GOSISDBHSA-N 2 0 347.503 3.187 20 0 EGADRP CCCN1CCC[C@H]1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000573714302 459723981 /nfs/dbraw/zinc/72/39/81/459723981.db2.gz WBDCWPJNUAIZHD-DLBZAZTESA-N 2 0 344.421 3.073 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3Cc4ccccc4C3)CC2)C[C@H](C)O1 ZINC000573769366 459730260 /nfs/dbraw/zinc/73/02/60/459730260.db2.gz QPISAOCNHBBAQO-HDICACEKSA-N 2 0 342.527 3.223 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)[NH+]1CCCCC1 ZINC000544374294 459753240 /nfs/dbraw/zinc/75/32/40/459753240.db2.gz GQAMWMICHBJLAY-MOPGFXCFSA-N 2 0 345.531 3.438 20 0 EGADRP CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000573931351 459759585 /nfs/dbraw/zinc/75/95/85/459759585.db2.gz SBIDXLAXDHPFOW-UKRRQHHQSA-N 2 0 341.455 3.032 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1-c1cc(C)ccc1C ZINC000584584767 459772102 /nfs/dbraw/zinc/77/21/02/459772102.db2.gz QMYCSYHPKKGROT-MRXNPFEDSA-N 2 0 326.488 3.448 20 0 EGADRP C[NH+](C)Cc1ccnc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000566007715 459792027 /nfs/dbraw/zinc/79/20/27/459792027.db2.gz OPIKWLOWDLBBBV-QGZVFWFLSA-N 2 0 332.492 3.160 20 0 EGADRP CCCCCOc1ccc([C@@H]([NH2+]C[C@]2(O)CCN(C)C2)C2CC2)cc1 ZINC000545161150 459805527 /nfs/dbraw/zinc/80/55/27/459805527.db2.gz MFOBNTDLPYTSSP-LEWJYISDSA-N 2 0 346.515 3.363 20 0 EGADRP CN1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H]1c1cccs1 ZINC000566116968 459808829 /nfs/dbraw/zinc/80/88/29/459808829.db2.gz RKJYTYMFLUQIRP-BZPMIXESSA-N 2 0 336.423 3.034 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000566229910 459826995 /nfs/dbraw/zinc/82/69/95/459826995.db2.gz SSTHONNAXDONDJ-STQMWFEESA-N 2 0 334.895 3.417 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000593320252 459840242 /nfs/dbraw/zinc/84/02/42/459840242.db2.gz BQUYJOPIBJJAAB-RHSMWYFYSA-N 2 0 336.451 3.276 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(CC[NH3+])CC1 ZINC000566356007 459848089 /nfs/dbraw/zinc/84/80/89/459848089.db2.gz ODIUIMPTMTYJAZ-LBPRGKRZSA-N 2 0 343.393 3.093 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000575059753 459918572 /nfs/dbraw/zinc/91/85/72/459918572.db2.gz IVMQCDVILOTIDL-DFQSSKMNSA-N 2 0 349.478 3.351 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000593680690 459948512 /nfs/dbraw/zinc/94/85/12/459948512.db2.gz NDLVOYLMNKJZCS-OAQYLSRUSA-N 2 0 346.515 3.360 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCCc3cccc(Cl)c3)C2)CC1 ZINC000598588139 459953843 /nfs/dbraw/zinc/95/38/43/459953843.db2.gz HUWKBSGGTIPANF-HXUWFJFHSA-N 2 0 349.950 3.375 20 0 EGADRP C[C@@H]([NH2+]CCOc1ccc2cc(Br)ccc2c1)C1C[NH2+]C1 ZINC000575980087 460045631 /nfs/dbraw/zinc/04/56/31/460045631.db2.gz MLPWZTWELZLZML-GFCCVEGCSA-N 2 0 349.272 3.179 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599071661 460151112 /nfs/dbraw/zinc/15/11/12/460151112.db2.gz SBGWTPDHROINOT-CVEARBPZSA-N 2 0 348.487 3.464 20 0 EGADRP CSC[C@@H](O)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602865161 460165684 /nfs/dbraw/zinc/16/56/84/460165684.db2.gz UGTXMNALDTYENH-IBGZPJMESA-N 2 0 348.556 3.089 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000615310346 460307621 /nfs/dbraw/zinc/30/76/21/460307621.db2.gz VWNTXUSDKMSTLZ-QFBILLFUSA-N 2 0 331.504 3.083 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000615603814 460355381 /nfs/dbraw/zinc/35/53/81/460355381.db2.gz PNSGVNRZDSVRPW-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C(=O)NC)c1 ZINC000626062167 460358422 /nfs/dbraw/zinc/35/84/22/460358422.db2.gz JYGKFAVXPCXFNB-UHFFFAOYSA-N 2 0 339.483 3.130 20 0 EGADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000631595724 460464983 /nfs/dbraw/zinc/46/49/83/460464983.db2.gz DSDUDSNEXPEWKR-GQIGUUNPSA-N 2 0 332.488 3.162 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000631617397 460473326 /nfs/dbraw/zinc/47/33/26/460473326.db2.gz GUENHNZEJOCJBI-MSOLQXFVSA-N 2 0 342.531 3.105 20 0 EGADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629544512 460802960 /nfs/dbraw/zinc/80/29/60/460802960.db2.gz IYDGCYLCMLFKHR-CLWVCHIJSA-N 2 0 337.870 3.036 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000629556662 460805934 /nfs/dbraw/zinc/80/59/34/460805934.db2.gz WWXOWCJMHHYPDA-WJFTUGDTSA-N 2 0 334.891 3.464 20 0 EGADRP COc1ccccc1CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565931 460813070 /nfs/dbraw/zinc/81/30/70/460813070.db2.gz XHQYITBOJHVRHZ-CABCVRRESA-N 2 0 330.394 3.087 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@H](C)C1 ZINC000624112747 460865075 /nfs/dbraw/zinc/86/50/75/460865075.db2.gz KCEFDTJFSWJUHW-MOPGFXCFSA-N 2 0 347.547 3.394 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)[C@@H](C)C1 ZINC000607957041 460947460 /nfs/dbraw/zinc/94/74/60/460947460.db2.gz TWAUDHQIYGASHZ-UWJYYQICSA-N 2 0 339.483 3.481 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)C[N@H+](C)C2CCC2)c2cccs2)CC1 ZINC000608501139 461075976 /nfs/dbraw/zinc/07/59/76/461075976.db2.gz ZJUBLQXJDKOPIP-QGZVFWFLSA-N 2 0 349.544 3.122 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000628315923 461084957 /nfs/dbraw/zinc/08/49/57/461084957.db2.gz BLSNRKGSSYDDHU-UHFFFAOYSA-N 2 0 340.515 3.160 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000652349315 461143108 /nfs/dbraw/zinc/14/31/08/461143108.db2.gz KLRJBVBKXDERRA-FRFSOERESA-N 2 0 347.484 3.121 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1ccccc1C(F)(F)F)C2 ZINC000652351955 461146561 /nfs/dbraw/zinc/14/65/61/461146561.db2.gz NGRJGBNUBAZCQR-BBRMVZONSA-N 2 0 328.378 3.145 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652354135 461149378 /nfs/dbraw/zinc/14/93/78/461149378.db2.gz NUMFCGCBPCLNGP-GDBMZVCRSA-N 2 0 335.517 3.186 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000662264722 461152698 /nfs/dbraw/zinc/15/26/98/461152698.db2.gz JMASMLBTCYQCTM-UHFFFAOYSA-N 2 0 329.444 3.172 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000646278515 461166969 /nfs/dbraw/zinc/16/69/69/461166969.db2.gz BKHULMPTFRODOE-OAHLLOKOSA-N 2 0 341.455 3.289 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662290407 461168477 /nfs/dbraw/zinc/16/84/77/461168477.db2.gz UGYAQGHWLIDIKO-IBGZPJMESA-N 2 0 343.515 3.140 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1C ZINC000662295031 461172156 /nfs/dbraw/zinc/17/21/56/461172156.db2.gz YITNELBQFWPCCJ-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295541 461172206 /nfs/dbraw/zinc/17/22/06/461172206.db2.gz GPBTVZBYKVUVCB-DOTOQJQBSA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295543 461172766 /nfs/dbraw/zinc/17/27/66/461172766.db2.gz GPBTVZBYKVUVCB-NVXWUHKLSA-N 2 0 347.478 3.173 20 0 EGADRP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662294447 461173940 /nfs/dbraw/zinc/17/39/40/461173940.db2.gz FAWVQXPHMVQULK-HBMCJLEFSA-N 2 0 338.495 3.371 20 0 EGADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](c3nccn3C)C3CC3)C2)c1 ZINC000638008049 461193682 /nfs/dbraw/zinc/19/36/82/461193682.db2.gz WDWONSSTQGGBCQ-YJBOKZPZSA-N 2 0 325.460 3.009 20 0 EGADRP COc1cc(C)c([C@H](C)N2CCC([N@H+](C)C[C@H](C)O)CC2)cc1C ZINC000638048847 461215479 /nfs/dbraw/zinc/21/54/79/461215479.db2.gz UZJVAIBBUAEVDC-IRXDYDNUSA-N 2 0 334.504 3.150 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1 ZINC000662374019 461218501 /nfs/dbraw/zinc/21/85/01/461218501.db2.gz FIYOQYNGBMRZGK-GOSISDBHSA-N 2 0 337.467 3.379 20 0 EGADRP CC[C@@H](OCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000649623882 461228845 /nfs/dbraw/zinc/22/88/45/461228845.db2.gz GNXRIHOALGVNGA-HXUWFJFHSA-N 2 0 347.547 3.160 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662411094 461236198 /nfs/dbraw/zinc/23/61/98/461236198.db2.gz SECXZPJFAPVUPG-PMACEKPBSA-N 2 0 337.467 3.161 20 0 EGADRP COc1cccc(C)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000638126636 461257365 /nfs/dbraw/zinc/25/73/65/461257365.db2.gz YARROSHTJWZQEI-UHFFFAOYSA-N 2 0 332.488 3.080 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000662527771 461283559 /nfs/dbraw/zinc/28/35/59/461283559.db2.gz YUSURRBGAMQIGL-SFHVURJKSA-N 2 0 331.504 3.275 20 0 EGADRP CC(C)c1[nH+]c(CN[C@@H]2Cc3ccccc3N(C)C2=O)c2ccccn21 ZINC000668476116 461297331 /nfs/dbraw/zinc/29/73/31/461297331.db2.gz YDPMMMIFOFNFQT-MRXNPFEDSA-N 2 0 348.450 3.135 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000641709337 461332122 /nfs/dbraw/zinc/33/21/22/461332122.db2.gz BXZGPZWKHGOHEP-KRWDZBQOSA-N 2 0 326.488 3.392 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675409 461343478 /nfs/dbraw/zinc/34/34/78/461343478.db2.gz MWYYZIVWMZERCM-QAPCUYQASA-N 2 0 329.488 3.388 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000638312847 461360763 /nfs/dbraw/zinc/36/07/63/461360763.db2.gz KKRBVGCBRAPKDT-OAQYLSRUSA-N 2 0 346.515 3.204 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655688727 461363858 /nfs/dbraw/zinc/36/38/58/461363858.db2.gz CTGCCNWUCIZAMX-FQEVSTJZSA-N 2 0 329.532 3.298 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCOc2ccc3ccccc3c2)CC1 ZINC000638340261 461376347 /nfs/dbraw/zinc/37/63/47/461376347.db2.gz JZYFBAVETDOPSR-UHFFFAOYSA-N 2 0 342.483 3.044 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641799361 461378150 /nfs/dbraw/zinc/37/81/50/461378150.db2.gz LNNJCRMTFZKDER-QAPCUYQASA-N 2 0 331.485 3.015 20 0 EGADRP CC(C)O[C@H](C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000638351849 461380692 /nfs/dbraw/zinc/38/06/92/461380692.db2.gz IHZAMOLMLCLEBL-NHCUHLMSSA-N 2 0 347.547 3.014 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000638363301 461388488 /nfs/dbraw/zinc/38/84/88/461388488.db2.gz LAYDEXDAFPNHIG-IOMROCGXSA-N 2 0 346.515 3.060 20 0 EGADRP c1ccc2c(c1)CC[C@@H]2CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000659845397 461449898 /nfs/dbraw/zinc/44/98/98/461449898.db2.gz OAOCTBCXNQHSBD-HXUWFJFHSA-N 2 0 328.500 3.151 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccncc1Br ZINC000631030086 461483458 /nfs/dbraw/zinc/48/34/58/461483458.db2.gz MMVJVKNZFLKPNX-CYBMUJFWSA-N 2 0 328.298 3.444 20 0 EGADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000655838006 461490162 /nfs/dbraw/zinc/49/01/62/461490162.db2.gz YSNWBBCRDKRIRF-SJORKVTESA-N 2 0 327.472 3.304 20 0 EGADRP C[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000638574772 461491549 /nfs/dbraw/zinc/49/15/49/461491549.db2.gz HRGQNXRSOFCDKC-HGHGUNKESA-N 2 0 327.516 3.427 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000631040010 461491636 /nfs/dbraw/zinc/49/16/36/461491636.db2.gz FGNCUHJULJYHLU-FPLPWBNLSA-N 2 0 329.532 3.242 20 0 EGADRP COCCc1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000631043485 461496011 /nfs/dbraw/zinc/49/60/11/461496011.db2.gz XXSYTCMHSKBHEZ-HNNXBMFYSA-N 2 0 325.522 3.076 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653108152 461505326 /nfs/dbraw/zinc/50/53/26/461505326.db2.gz KPPXLVLCMHRHLW-FUHWJXTLSA-N 2 0 329.488 3.389 20 0 EGADRP CC(C)([NH3+])CCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000647120649 461507530 /nfs/dbraw/zinc/50/75/30/461507530.db2.gz SGJXIXDIRBRVSE-UHFFFAOYSA-N 2 0 328.460 3.392 20 0 EGADRP CCc1cccc2c(CC[NH2+]C3CC[NH+](CC(C)(C)O)CC3)c[nH]c21 ZINC000638624123 461508052 /nfs/dbraw/zinc/50/80/52/461508052.db2.gz WKVXGVANXGYFCV-UHFFFAOYSA-N 2 0 343.515 3.098 20 0 EGADRP CN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000650026705 461523947 /nfs/dbraw/zinc/52/39/47/461523947.db2.gz TXJUKTPAHYEFCK-UHFFFAOYSA-N 2 0 341.459 3.037 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000631196387 461637644 /nfs/dbraw/zinc/63/76/44/461637644.db2.gz QUNXWEXAXFSWRO-QFBILLFUSA-N 2 0 340.467 3.259 20 0 EGADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000656202132 461645914 /nfs/dbraw/zinc/64/59/14/461645914.db2.gz ZBDRDTOLWQTRBT-HPBDAGMYSA-N 2 0 330.472 3.419 20 0 EGADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000656201258 461646462 /nfs/dbraw/zinc/64/64/62/461646462.db2.gz MHYJHKQDJDLHTF-GUYCJALGSA-N 2 0 327.428 3.032 20 0 EGADRP c1ccc(CN2CCC[C@@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663469208 461657462 /nfs/dbraw/zinc/65/74/62/461657462.db2.gz PBKNBLSOITWGSG-FGZHOGPDSA-N 2 0 341.543 3.363 20 0 EGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663467166 461658425 /nfs/dbraw/zinc/65/84/25/461658425.db2.gz DDNZHCBBGDPOKK-CRAIPNDOSA-N 2 0 329.488 3.418 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639075460 461709126 /nfs/dbraw/zinc/70/91/26/461709126.db2.gz JPYAVUXRNNQXTI-GIUOSPMZSA-N 2 0 328.500 3.495 20 0 EGADRP CC[C@@H](CC(F)F)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660333699 461715861 /nfs/dbraw/zinc/71/58/61/461715861.db2.gz DHWNYDQAMZFICC-QFBILLFUSA-N 2 0 340.458 3.237 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1[NH3+] ZINC000647497265 461734662 /nfs/dbraw/zinc/73/46/62/461734662.db2.gz BFSAAHCONYUNTK-FXAWDEMLSA-N 2 0 325.456 3.220 20 0 EGADRP CC[C@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)CC[C@H]1[NH3+] ZINC000647498251 461735925 /nfs/dbraw/zinc/73/59/25/461735925.db2.gz DEDJTDDBEFDHQP-AZUAARDMSA-N 2 0 326.488 3.107 20 0 EGADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000643527873 461752192 /nfs/dbraw/zinc/75/21/92/461752192.db2.gz UPADQOITIXITHB-RKDXNWHRSA-N 2 0 337.773 3.013 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)s2)cn1 ZINC000647542669 461754000 /nfs/dbraw/zinc/75/40/00/461754000.db2.gz AAJFYBPPAYNARY-CVEARBPZSA-N 2 0 344.528 3.360 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543279 461756036 /nfs/dbraw/zinc/75/60/36/461756036.db2.gz KJAUNKCYTUZQAK-RBUKOAKNSA-N 2 0 338.499 3.392 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cnc21 ZINC000647543953 461758394 /nfs/dbraw/zinc/75/83/94/461758394.db2.gz UUPSJPGMSDHZOP-MSOLQXFVSA-N 2 0 341.503 3.224 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546152 461759141 /nfs/dbraw/zinc/75/91/41/461759141.db2.gz JQPAKSMPXGQJNY-RLLQIKCJSA-N 2 0 327.516 3.161 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647544510 461759438 /nfs/dbraw/zinc/75/94/38/461759438.db2.gz BVUUJZFLZULOLA-IRXDYDNUSA-N 2 0 342.487 3.200 20 0 EGADRP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647550288 461763276 /nfs/dbraw/zinc/76/32/76/461763276.db2.gz JTCJVHQLUMRYQQ-HZMVEIRTSA-N 2 0 333.907 3.287 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000639177028 461782240 /nfs/dbraw/zinc/78/22/40/461782240.db2.gz OMKXUKMOJOAITR-HKUYNNGSSA-N 2 0 344.499 3.355 20 0 EGADRP Cn1ccnc1[C@H](C1CC1)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000639178492 461785070 /nfs/dbraw/zinc/78/50/70/461785070.db2.gz KEIKGBVMBKVWCZ-FQEVSTJZSA-N 2 0 338.499 3.468 20 0 EGADRP CC(=O)Nc1cccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000639179588 461786174 /nfs/dbraw/zinc/78/61/74/461786174.db2.gz ULMOWIOADOOMIV-UHFFFAOYSA-N 2 0 341.455 3.334 20 0 EGADRP CNC(=O)C[C@@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000639248422 461824894 /nfs/dbraw/zinc/82/48/94/461824894.db2.gz YIUGXWLGNYQEIE-UTKZUKDTSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000666853925 461835726 /nfs/dbraw/zinc/83/57/26/461835726.db2.gz OLZMTMGMRRBXIE-OSAQELSMSA-N 2 0 343.393 3.282 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000647797934 461839415 /nfs/dbraw/zinc/83/94/15/461839415.db2.gz HSQJRXDZUHIZHQ-BSWAZPDLSA-N 2 0 328.435 3.050 20 0 EGADRP c1ccc2oc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)nc2c1 ZINC000639312261 461855849 /nfs/dbraw/zinc/85/58/49/461855849.db2.gz UTFABUFFKZROOP-UHFFFAOYSA-N 2 0 336.439 3.225 20 0 EGADRP COc1ccc(-c2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000666901588 461859479 /nfs/dbraw/zinc/85/94/79/461859479.db2.gz XNDBKFNFLAPLEC-OAHLLOKOSA-N 2 0 331.485 3.441 20 0 EGADRP COc1cc(C)c([C@@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000639334166 461866996 /nfs/dbraw/zinc/86/69/96/461866996.db2.gz ADNCGGCNFMYTAY-MSOLQXFVSA-N 2 0 334.504 3.416 20 0 EGADRP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000647881229 461868420 /nfs/dbraw/zinc/86/84/20/461868420.db2.gz WRPXJYSPQYQCNF-CQSZACIVSA-N 2 0 330.394 3.286 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000666921640 461868819 /nfs/dbraw/zinc/86/88/19/461868819.db2.gz OBMPGWBAMBSOKZ-BEFAXECRSA-N 2 0 325.456 3.364 20 0 EGADRP CC(C)(C)[C@]1(C[NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639353403 461877300 /nfs/dbraw/zinc/87/73/00/461877300.db2.gz RTOOFXXFZZHQLB-ZVDOUQERSA-N 2 0 330.516 3.285 20 0 EGADRP CC(C)n1ncc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cnc21 ZINC000656784489 461893370 /nfs/dbraw/zinc/89/33/70/461893370.db2.gz DNYAKGKDKSQUHH-GOSISDBHSA-N 2 0 341.503 3.224 20 0 EGADRP Cc1nc2ccc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cc2s1 ZINC000650707294 461899281 /nfs/dbraw/zinc/89/92/81/461899281.db2.gz CLDDCNQBUFUOPZ-XYJFISCASA-N 2 0 345.512 3.323 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc2cccnc12 ZINC000650707221 461900163 /nfs/dbraw/zinc/90/01/63/461900163.db2.gz ANIXLCCFDLFHJJ-XUVXKRRUSA-N 2 0 339.483 3.262 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000650707826 461901491 /nfs/dbraw/zinc/90/14/91/461901491.db2.gz NSDAOHZFCIBOJN-UNEWFSDZSA-N 2 0 326.843 3.197 20 0 EGADRP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)c2O1 ZINC000650708277 461902344 /nfs/dbraw/zinc/90/23/44/461902344.db2.gz WXSAISBMZRVQGH-QXAKKESOSA-N 2 0 344.499 3.118 20 0 EGADRP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000650710133 461903553 /nfs/dbraw/zinc/90/35/53/461903553.db2.gz FNEGRQASXXZPHC-BFYDXBDKSA-N 2 0 341.430 3.491 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995121 461903620 /nfs/dbraw/zinc/90/36/20/461903620.db2.gz DPDTYUIHRIZFOV-DLBZAZTESA-N 2 0 332.488 3.289 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(C[NH3+])cc2F)CC1 ZINC000650717904 461909418 /nfs/dbraw/zinc/90/94/18/461909418.db2.gz QJNKVRFPNOHMFE-FOIQADDNSA-N 2 0 333.495 3.417 20 0 EGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717639 461909655 /nfs/dbraw/zinc/90/96/55/461909655.db2.gz IBGUEQLEJQKRQD-GOSISDBHSA-N 2 0 334.410 3.161 20 0 EGADRP COc1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cc2c1 ZINC000650723880 461915737 /nfs/dbraw/zinc/91/57/37/461915737.db2.gz VHYQIZIWZCWITN-ZTNFWEORSA-N 2 0 344.455 3.302 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000650723955 461916594 /nfs/dbraw/zinc/91/65/94/461916594.db2.gz WDORLSGWNDZQKV-AYBZRNKSSA-N 2 0 332.419 3.433 20 0 EGADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977682 461919491 /nfs/dbraw/zinc/91/94/91/461919491.db2.gz GBCNULLZDLEVFS-IAGOWNOFSA-N 2 0 339.483 3.371 20 0 EGADRP C[N@H+](CCN1CCC([NH2+]Cc2ccccc2)CC1)Cc1ccccc1 ZINC000660676915 461921777 /nfs/dbraw/zinc/92/17/77/461921777.db2.gz COQCHSZSVOAJMZ-UHFFFAOYSA-N 2 0 337.511 3.373 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650739856 461927608 /nfs/dbraw/zinc/92/76/08/461927608.db2.gz ASPPKAVPONHCGQ-YJLNNSPDSA-N 2 0 344.430 3.460 20 0 EGADRP FC(F)(F)c1ccccc1-c1nc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000639457297 461934194 /nfs/dbraw/zinc/93/41/94/461934194.db2.gz SKKKXHYCLNQNHG-VXGBXAGGSA-N 2 0 337.345 3.012 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OCc2nccn2C)cc1 ZINC000650763949 461941474 /nfs/dbraw/zinc/94/14/74/461941474.db2.gz MQICBTIAHFZZKK-MRXNPFEDSA-N 2 0 342.487 3.039 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000650764009 461941981 /nfs/dbraw/zinc/94/19/81/461941981.db2.gz OIBFLLHWASMJTK-CYBMUJFWSA-N 2 0 347.894 3.269 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1)CC(C)C ZINC000648035795 461952283 /nfs/dbraw/zinc/95/22/83/461952283.db2.gz PPALBYNQRZZNEA-IBGZPJMESA-N 2 0 347.551 3.005 20 0 EGADRP C[C@@H]1C[C@H](C)CN(CC[NH2+]C2(Cc3ccccc3)CCOCC2)C1 ZINC000660753206 461954276 /nfs/dbraw/zinc/95/42/76/461954276.db2.gz UUNXOEXVAYGROU-KDURUIRLSA-N 2 0 330.516 3.346 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000644513457 461965506 /nfs/dbraw/zinc/96/55/06/461965506.db2.gz JLWHCIMNPUICKK-KRWDZBQOSA-N 2 0 344.421 3.071 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000644530500 461972287 /nfs/dbraw/zinc/97/22/87/461972287.db2.gz BQIYHRPTFPYTQZ-FGZHOGPDSA-N 2 0 338.495 3.092 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660856603 461996503 /nfs/dbraw/zinc/99/65/03/461996503.db2.gz QGLOJBQFXNZKOH-KRWDZBQOSA-N 2 0 326.488 3.302 20 0 EGADRP CC(C)O[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000644672410 462031721 /nfs/dbraw/zinc/03/17/21/462031721.db2.gz KUFGKBDJLVEMFM-FQEVSTJZSA-N 2 0 325.456 3.370 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccnn2CC2CC2)c1 ZINC000657315635 462039600 /nfs/dbraw/zinc/03/96/00/462039600.db2.gz ZWMXHVBHIJLKSR-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[C@H](c1noc(-c2ccccc2)n1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682901 462055641 /nfs/dbraw/zinc/05/56/41/462055641.db2.gz CXYFTSRBVGMNNK-MRXNPFEDSA-N 2 0 349.438 3.405 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684384 462056449 /nfs/dbraw/zinc/05/64/49/462056449.db2.gz UMWCVUVFDORBFH-UHFFFAOYSA-N 2 0 347.466 3.288 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683312 462056603 /nfs/dbraw/zinc/05/66/03/462056603.db2.gz WWTZYLZJKAHMLN-UHFFFAOYSA-N 2 0 334.423 3.048 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3cscc3Br)C2)CC1 ZINC000639754723 462092371 /nfs/dbraw/zinc/09/23/71/462092371.db2.gz DWWUEZZTTQDZCC-UHFFFAOYSA-N 2 0 329.307 3.428 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)Cc2ccccc2O1 ZINC000644843205 462102484 /nfs/dbraw/zinc/10/24/84/462102484.db2.gz BEGYXJSULGMHSX-KRWDZBQOSA-N 2 0 340.467 3.410 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[NH+]1CCCCC1 ZINC000657433685 462120850 /nfs/dbraw/zinc/12/08/50/462120850.db2.gz ZCFPZUBTAXVWHU-YLJYHZDGSA-N 2 0 332.488 3.208 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000657435572 462121535 /nfs/dbraw/zinc/12/15/35/462121535.db2.gz RJIAUHGAJDBQNT-KRWDZBQOSA-N 2 0 334.504 3.312 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000648448285 462123771 /nfs/dbraw/zinc/12/37/71/462123771.db2.gz ZNUFXEOVRXNGHL-BPQIPLTHSA-N 2 0 349.494 3.186 20 0 EGADRP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCC1 ZINC000651228810 462146231 /nfs/dbraw/zinc/14/62/31/462146231.db2.gz DIQDHCMDVXHRRE-ZCNNSNEGSA-N 2 0 328.500 3.324 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)COC)cc2)C[C@H]1C ZINC000667664556 462197610 /nfs/dbraw/zinc/19/76/10/462197610.db2.gz NUPSWQGSNFIXDA-AOIWGVFYSA-N 2 0 334.504 3.405 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000667706804 462224855 /nfs/dbraw/zinc/22/48/55/462224855.db2.gz ITCSEZZERRUEOK-SESVDKBCSA-N 2 0 346.515 3.467 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731154 462236177 /nfs/dbraw/zinc/23/61/77/462236177.db2.gz MSELFKKNXWTUGI-IYBDPMFKSA-N 2 0 332.492 3.025 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000648735475 462251221 /nfs/dbraw/zinc/25/12/21/462251221.db2.gz SFQCADWTGVFOCC-SQGPQFPESA-N 2 0 343.515 3.017 20 0 EGADRP CO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000648742304 462254979 /nfs/dbraw/zinc/25/49/79/462254979.db2.gz BXPWADSJCMGTBX-PXNSSMCTSA-N 2 0 332.488 3.018 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000657823965 462284219 /nfs/dbraw/zinc/28/42/19/462284219.db2.gz MYIQEAOJFLSDDD-QFIPXVFZSA-N 2 0 343.559 3.490 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000657838743 462290630 /nfs/dbraw/zinc/29/06/30/462290630.db2.gz FZECRRAYYYGWMS-IBGZPJMESA-N 2 0 342.487 3.228 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657879494 462305116 /nfs/dbraw/zinc/30/51/16/462305116.db2.gz OKRFAUKLMGMHIY-MOPGFXCFSA-N 2 0 349.950 3.419 20 0 EGADRP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000657969337 462331967 /nfs/dbraw/zinc/33/19/67/462331967.db2.gz NDXXRCXXFASHEA-YSTOQKLRSA-N 2 0 328.500 3.168 20 0 EGADRP C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)C1CC[NH+](C)CC1 ZINC000645503506 462350865 /nfs/dbraw/zinc/35/08/65/462350865.db2.gz RRQDFEHXPWLEGS-OAHLLOKOSA-N 2 0 348.560 3.374 20 0 EGADRP CC1(C)C[C@]1(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000665299191 462390088 /nfs/dbraw/zinc/39/00/88/462390088.db2.gz IFVBJMAZSQEALO-PXCRPINLSA-N 2 0 328.500 3.101 20 0 EGADRP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CCN2)cc1 ZINC000665299447 462390126 /nfs/dbraw/zinc/39/01/26/462390126.db2.gz NDQZAHXDDBJEOX-SFTDATJTSA-N 2 0 327.516 3.191 20 0 EGADRP CC(C)n1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000658166719 462415125 /nfs/dbraw/zinc/41/51/25/462415125.db2.gz OHVVABIUPRPCGF-QGZVFWFLSA-N 2 0 341.503 3.422 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000658166716 462415531 /nfs/dbraw/zinc/41/55/31/462415531.db2.gz OHVVABIUPRPCGF-KRWDZBQOSA-N 2 0 341.503 3.422 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150998 462453046 /nfs/dbraw/zinc/45/30/46/462453046.db2.gz GFBRHCHQXMHZOG-ZBFHGGJFSA-N 2 0 336.476 3.095 20 0 EGADRP CCC(CC)(CNC(=O)c1ccc(C[NH3+])o1)[NH2+][C@@H](C)c1ccccc1 ZINC000645964145 462479823 /nfs/dbraw/zinc/47/98/23/462479823.db2.gz FEFAJHNGEGXZOY-HNNXBMFYSA-N 2 0 343.471 3.378 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000658352668 462487658 /nfs/dbraw/zinc/48/76/58/462487658.db2.gz HPIVBJKVRHDAKY-LJQANCHMSA-N 2 0 344.499 3.403 20 0 EGADRP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)oc21 ZINC000181703004 528699584 /nfs/dbraw/zinc/69/95/84/528699584.db2.gz YEIQHTKHNCGANH-HZPDHXFCSA-N 2 0 345.487 3.118 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000154251651 529145450 /nfs/dbraw/zinc/14/54/50/529145450.db2.gz JZLOBYKZXAKXCP-CQSZACIVSA-N 2 0 327.875 3.157 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000236639490 535281477 /nfs/dbraw/zinc/28/14/77/535281477.db2.gz PJMJQTUGNXWUIT-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+](C)C(C)C)cc1)C(C)C ZINC000338022725 535782834 /nfs/dbraw/zinc/78/28/34/535782834.db2.gz UCSAIKUWMXNRLR-UHFFFAOYSA-N 2 0 333.520 3.377 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(Cl)cs3)CC2)CC1 ZINC000193071357 536339718 /nfs/dbraw/zinc/33/97/18/536339718.db2.gz GCHVTJJTFTWTKF-UHFFFAOYSA-N 2 0 327.925 3.050 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186251849 536778716 /nfs/dbraw/zinc/77/87/16/536778716.db2.gz ZXHKMDOXVADHLV-UHFFFAOYSA-N 2 0 338.467 3.102 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OC[C@H]2CCCO2)c1 ZINC000119796710 546708056 /nfs/dbraw/zinc/70/80/56/546708056.db2.gz IAIBZRHSJHXQKL-FXAWDEMLSA-N 2 0 346.515 3.373 20 0 EGADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000128089130 546776723 /nfs/dbraw/zinc/77/67/23/546776723.db2.gz HRZXDOUYZOHJGB-OAHLLOKOSA-N 2 0 332.492 3.036 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000153188093 546877969 /nfs/dbraw/zinc/87/79/69/546877969.db2.gz GDLFKTVBQMAPKQ-HNNXBMFYSA-N 2 0 334.504 3.301 20 0 EGADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000154810757 546895262 /nfs/dbraw/zinc/89/52/62/546895262.db2.gz YWBOOOLLYSVTSZ-INIZCTEOSA-N 2 0 331.504 3.491 20 0 EGADRP Cc1ccccc1CN1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000162162777 546963944 /nfs/dbraw/zinc/96/39/44/546963944.db2.gz SSBMHUQZMGARPT-GOSISDBHSA-N 2 0 329.532 3.279 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310894539 547461827 /nfs/dbraw/zinc/46/18/27/547461827.db2.gz ZXHIZEQIWIZAEJ-YZGWKJHDSA-N 2 0 345.531 3.024 20 0 EGADRP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000339077038 547567595 /nfs/dbraw/zinc/56/75/95/547567595.db2.gz YIFRCOMSAITQOM-ROUUACIJSA-N 2 0 332.488 3.243 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339074889 547568215 /nfs/dbraw/zinc/56/82/15/547568215.db2.gz MPAKTDGQQADNSE-UXHICEINSA-N 2 0 331.479 3.007 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000339248776 547573104 /nfs/dbraw/zinc/57/31/04/547573104.db2.gz BEDYQIIZZIYDGU-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP COC[C@@H]1CCCC[NH+]([C@@H](C)CC[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000342573002 547595917 /nfs/dbraw/zinc/59/59/17/547595917.db2.gz UBBBDRDTJUMPEO-XUVXKRRUSA-N 2 0 340.552 3.262 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348112209 547627875 /nfs/dbraw/zinc/62/78/75/547627875.db2.gz WFURPTOTNGGDPN-SFTDATJTSA-N 2 0 327.516 3.102 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000349720348 547644315 /nfs/dbraw/zinc/64/43/15/547644315.db2.gz KSGMMTSNOXNKNL-MRXNPFEDSA-N 2 0 326.481 3.311 20 0 EGADRP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390529162 547827911 /nfs/dbraw/zinc/82/79/11/547827911.db2.gz KTWZJOFGZDNOJK-MXEMCNAFSA-N 2 0 327.516 3.161 20 0 EGADRP CCn1ccc(C[N@H+](C)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000671689503 548334463 /nfs/dbraw/zinc/33/44/63/548334463.db2.gz MDRYUSNCENVYSV-UHFFFAOYSA-N 2 0 340.515 3.152 20 0 EGADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000673438497 548561494 /nfs/dbraw/zinc/56/14/94/548561494.db2.gz UFFSOXOEEOBZAZ-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000675771952 548977918 /nfs/dbraw/zinc/97/79/18/548977918.db2.gz PHUZYXODKAHPEJ-UHFFFAOYSA-N 2 0 329.532 3.287 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675776217 548979048 /nfs/dbraw/zinc/97/90/48/548979048.db2.gz HFXDALPZTFUMNB-KRWDZBQOSA-N 2 0 340.515 3.433 20 0 EGADRP CCC[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678271663 549453543 /nfs/dbraw/zinc/45/35/43/549453543.db2.gz ZRXMTFLTBVBPBI-FQEVSTJZSA-N 2 0 332.488 3.162 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)n1 ZINC000678599159 549528157 /nfs/dbraw/zinc/52/81/57/549528157.db2.gz VTUNXNIPWIPAOA-DBVUQKKJSA-N 2 0 331.504 3.117 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC(C)C)CC2)[C@@H](C)C1 ZINC000678604164 549529367 /nfs/dbraw/zinc/52/93/67/549529367.db2.gz DLPUKIVNBZBQCE-DCCYDQLOSA-N 2 0 340.552 3.449 20 0 EGADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCC[C@H]1O ZINC000679360189 549696086 /nfs/dbraw/zinc/69/60/86/549696086.db2.gz HYZWOLOWDSLTII-PZJWPPBQSA-N 2 0 346.515 3.144 20 0 EGADRP CC(C)(C)OCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537600 549727733 /nfs/dbraw/zinc/72/77/33/549727733.db2.gz WHOMCEMDLFOLLH-UHFFFAOYSA-N 2 0 326.525 3.016 20 0 EGADRP Fc1ccc(COC2CC[NH+]([C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000682075079 550069130 /nfs/dbraw/zinc/06/91/30/550069130.db2.gz GBARTHNVTCAEDC-RBUKOAKNSA-N 2 0 332.463 3.434 20 0 EGADRP CC(C)OCC[NH+]1CCC(Nc2cc[nH+]c3c(O)cccc23)CC1 ZINC000682241256 550085537 /nfs/dbraw/zinc/08/55/37/550085537.db2.gz OSFGOPLGZOMWQN-UHFFFAOYSA-N 2 0 329.444 3.242 20 0 EGADRP Cc1ccc2cc([C@@H](C)[NH2+]CC(C)(C)N3CC[NH+](C)CC3)oc2c1 ZINC000683159939 550198691 /nfs/dbraw/zinc/19/86/91/550198691.db2.gz ZYFCURODQISSPJ-MRXNPFEDSA-N 2 0 329.488 3.418 20 0 EGADRP Fc1ccc(/C=C\C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000685409752 550413592 /nfs/dbraw/zinc/41/35/92/550413592.db2.gz RUTKBIDJMMBZIF-UPHRSURJSA-N 2 0 336.426 3.022 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457341 550418755 /nfs/dbraw/zinc/41/87/55/550418755.db2.gz AYBHGFVAMQFXIV-GOSISDBHSA-N 2 0 335.923 3.249 20 0 EGADRP C[N@H+](Cc1coc2ccccc12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457592 550419056 /nfs/dbraw/zinc/41/90/56/550419056.db2.gz GBCJAOGPMNDMHU-GOSISDBHSA-N 2 0 327.472 3.033 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470452 550421213 /nfs/dbraw/zinc/42/12/13/550421213.db2.gz QDNWFEIAIFIMOU-CZUORRHYSA-N 2 0 338.879 3.273 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000685849568 550448179 /nfs/dbraw/zinc/44/81/79/550448179.db2.gz NBUFWQXWODNXEM-RTBURBONSA-N 2 0 332.488 3.016 20 0 EGADRP CCCN1Cc2cccc(NC(=S)NC[C@@H]3CCC[N@@H+]3CC)c2C1 ZINC000727291699 574658330 /nfs/dbraw/zinc/65/83/30/574658330.db2.gz UIXAXGLEHXGKBW-INIZCTEOSA-N 2 0 346.544 3.183 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000729682715 574878480 /nfs/dbraw/zinc/87/84/80/574878480.db2.gz AGAMAKACDSYJJA-IRXDYDNUSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397914142 1297706898 /nfs/dbraw/zinc/70/68/98/1297706898.db2.gz CPTUYYPWRMSVBQ-HZPDHXFCSA-N 2 0 339.524 3.141 20 0 EGADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000693711364 1298151560 /nfs/dbraw/zinc/15/15/60/1298151560.db2.gz DYHSKTIHGWTOEY-MHTWAQMVSA-N 2 0 341.543 3.265 20 0 EGADRP [NH3+]C1CCC([NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000051694368 1291682923 /nfs/dbraw/zinc/68/29/23/1291682923.db2.gz NQEKXFWAMXSHLO-YIZWMMSDSA-N 2 0 325.250 3.132 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000055933928 1291796003 /nfs/dbraw/zinc/79/60/03/1291796003.db2.gz QODRDSUNDIUEDH-GOSISDBHSA-N 2 0 343.515 3.277 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000060528557 1291928066 /nfs/dbraw/zinc/92/80/66/1291928066.db2.gz WCOZMIHMOWBLHG-FQEVSTJZSA-N 2 0 328.456 3.104 20 0 EGADRP COCc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000069674184 1292247838 /nfs/dbraw/zinc/24/78/38/1292247838.db2.gz QPXCNZWUMSZBMM-UHFFFAOYSA-N 2 0 328.456 3.063 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC000074678812 1292359896 /nfs/dbraw/zinc/35/98/96/1292359896.db2.gz QEUQFSBTMQMXCN-SFHVURJKSA-N 2 0 343.515 3.204 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000075734312 1292407551 /nfs/dbraw/zinc/40/75/51/1292407551.db2.gz GHSGCOFTVFQZSE-UHFFFAOYSA-N 2 0 349.482 3.399 20 0 EGADRP CC(C)c1noc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000089577737 1292771986 /nfs/dbraw/zinc/77/19/86/1292771986.db2.gz DVPBIDYHMIMEOV-OAHLLOKOSA-N 2 0 346.475 3.027 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000090038825 1292784918 /nfs/dbraw/zinc/78/49/18/1292784918.db2.gz DRILTFSRAPGLDE-UHFFFAOYSA-N 2 0 331.504 3.181 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000831089144 1292807042 /nfs/dbraw/zinc/80/70/42/1292807042.db2.gz SUOFAKJFSGNVRN-MNNVXMFVSA-N 2 0 329.488 3.233 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000098163420 1292964305 /nfs/dbraw/zinc/96/43/05/1292964305.db2.gz KLWHMCPJLKXSCB-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000105442185 1293035851 /nfs/dbraw/zinc/03/58/51/1293035851.db2.gz WGZOPONSUNANBM-CQSZACIVSA-N 2 0 344.330 3.357 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1F ZINC000105495398 1293041202 /nfs/dbraw/zinc/04/12/02/1293041202.db2.gz FTGUPYVITDZMBZ-UHFFFAOYSA-N 2 0 342.458 3.381 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[NH+]1CCCCC1 ZINC000834795940 1293150337 /nfs/dbraw/zinc/15/03/37/1293150337.db2.gz NOSDGWWTFPGSLJ-FDYSRKEFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC[NH2+]C1 ZINC000119578992 1293278814 /nfs/dbraw/zinc/27/88/14/1293278814.db2.gz SUQPTNBUJLDKFN-APWZRJJASA-N 2 0 349.544 3.027 20 0 EGADRP CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000120379008 1293318255 /nfs/dbraw/zinc/31/82/55/1293318255.db2.gz LJEDVVHJJVNQNR-RDJZCZTQSA-N 2 0 341.540 3.390 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000120807864 1293340501 /nfs/dbraw/zinc/34/05/01/1293340501.db2.gz HTKSNLHALAUOEY-IBGZPJMESA-N 2 0 325.456 3.092 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000121824108 1293391308 /nfs/dbraw/zinc/39/13/08/1293391308.db2.gz VABGVPBNZDOGBV-LSDHHAIUSA-N 2 0 336.476 3.095 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000124046741 1293464891 /nfs/dbraw/zinc/46/48/91/1293464891.db2.gz ZOXFFKWCFNWJES-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129951715 1293640048 /nfs/dbraw/zinc/64/00/48/1293640048.db2.gz DZMAKTCVRQWIRW-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000130977465 1293674922 /nfs/dbraw/zinc/67/49/22/1293674922.db2.gz CUKVHDQBYOLYLA-INIZCTEOSA-N 2 0 341.503 3.348 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000131587660 1293694909 /nfs/dbraw/zinc/69/49/09/1293694909.db2.gz OAYWMUFGQVQUIP-IAGOWNOFSA-N 2 0 341.540 3.342 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[nH]n1 ZINC000136769652 1293822471 /nfs/dbraw/zinc/82/24/71/1293822471.db2.gz JAVGXSKPRDGMDK-INIZCTEOSA-N 2 0 328.504 3.397 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000150994823 1293901731 /nfs/dbraw/zinc/90/17/31/1293901731.db2.gz NVWCWNUATFMNDS-HNNXBMFYSA-N 2 0 339.530 3.318 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000151914445 1293945044 /nfs/dbraw/zinc/94/50/44/1293945044.db2.gz WMKPKCKCVLBDAC-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000152314909 1293963072 /nfs/dbraw/zinc/96/30/72/1293963072.db2.gz GJHZUKFTNAJRMK-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000153087488 1293998887 /nfs/dbraw/zinc/99/88/87/1293998887.db2.gz UWJHFIUCLYDSLM-HXUWFJFHSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000157089502 1294168169 /nfs/dbraw/zinc/16/81/69/1294168169.db2.gz SOEQKUJTFXICRA-HUUCEWRRSA-N 2 0 331.460 3.024 20 0 EGADRP COc1cccc([C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000161297659 1294289459 /nfs/dbraw/zinc/28/94/59/1294289459.db2.gz VXXMBGNMZWQSFP-HXUWFJFHSA-N 2 0 332.488 3.115 20 0 EGADRP CC(C)COCCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000163300137 1294331457 /nfs/dbraw/zinc/33/14/57/1294331457.db2.gz XBNGVOHUCSPSNH-UHFFFAOYSA-N 2 0 333.520 3.374 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C[NH+]1CCCC1 ZINC000165314090 1294357033 /nfs/dbraw/zinc/35/70/33/1294357033.db2.gz HECDSYHNZSZJGG-SFHVURJKSA-N 3 0 344.547 3.043 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166417409 1294362611 /nfs/dbraw/zinc/36/26/11/1294362611.db2.gz SHSHEBQEJPFTNA-WOJBJXKFSA-N 2 0 343.515 3.196 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cnn(C)c2)ccc1OC ZINC000182564628 1295058981 /nfs/dbraw/zinc/05/89/81/1295058981.db2.gz CDVQAWSWWPUATN-OAHLLOKOSA-N 2 0 330.476 3.121 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)ccc1OC ZINC000183580519 1295131535 /nfs/dbraw/zinc/13/15/35/1295131535.db2.gz UOGFMUDBDZBFON-TXPKVOOTSA-N 2 0 332.488 3.125 20 0 EGADRP Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1O ZINC000187166765 1295372879 /nfs/dbraw/zinc/37/28/79/1295372879.db2.gz APEJGWCIZRMZKF-LBPRGKRZSA-N 2 0 341.293 3.456 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000187754353 1295415011 /nfs/dbraw/zinc/41/50/11/1295415011.db2.gz VYBKKQAQYCJBPV-WBVHZDCISA-N 2 0 339.524 3.237 20 0 EGADRP CC(C)C[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000870885851 1296130649 /nfs/dbraw/zinc/13/06/49/1296130649.db2.gz UJOQLSPUIXPWMT-LEAZDLGRSA-N 2 0 345.531 3.386 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000870891683 1296131977 /nfs/dbraw/zinc/13/19/77/1296131977.db2.gz HPHFZXNGLADZOK-RSPOEFSDSA-N 2 0 343.515 3.015 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C2CCC([NH3+])CC2)cc1)C(C)C ZINC000236992307 1296215522 /nfs/dbraw/zinc/21/55/22/1296215522.db2.gz IJFDGOPRYURSJH-UHFFFAOYSA-N 2 0 331.504 3.259 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000237077428 1296219742 /nfs/dbraw/zinc/21/97/42/1296219742.db2.gz ZISGNEFCNVJJOI-UHFFFAOYSA-N 2 0 335.458 3.257 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000237636170 1296253593 /nfs/dbraw/zinc/25/35/93/1296253593.db2.gz JJOLABQCIVMUKW-GASCZTMLSA-N 2 0 345.512 3.351 20 0 EGADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)[C@H]1CNC(=O)OC(C)(C)C ZINC000245572218 1296315497 /nfs/dbraw/zinc/31/54/97/1296315497.db2.gz GWSYAKVIPGSCAJ-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000246012353 1296335163 /nfs/dbraw/zinc/33/51/63/1296335163.db2.gz TZAZHLLULQESLP-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000248145594 1296406818 /nfs/dbraw/zinc/40/68/18/1296406818.db2.gz DXHMJNVCKPCCRE-WOJBJXKFSA-N 2 0 343.515 3.204 20 0 EGADRP CC[NH+]1CCC([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC1 ZINC000872122179 1296749445 /nfs/dbraw/zinc/74/94/45/1296749445.db2.gz KKELLBCIMDEFAZ-UHFFFAOYSA-N 2 0 338.499 3.162 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[C@H]1c1cccs1 ZINC000872285657 1296897344 /nfs/dbraw/zinc/89/73/44/1296897344.db2.gz BQAVOSICZPDFAD-CBZIJGRNSA-N 2 0 349.544 3.155 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000304738223 1296937180 /nfs/dbraw/zinc/93/71/80/1296937180.db2.gz WXQFXXHTHXUPQZ-UHFFFAOYSA-N 2 0 338.495 3.496 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000310877114 1297101100 /nfs/dbraw/zinc/10/11/00/1297101100.db2.gz HGKATPCYRWRQDW-RXVVDRJESA-N 2 0 342.458 3.361 20 0 EGADRP C[C@]1(C[NH2+]C[C@@H](O)c2ccccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000310925308 1297103888 /nfs/dbraw/zinc/10/38/88/1297103888.db2.gz RZPBVPNXXJZSMN-NHCUHLMSSA-N 2 0 342.458 3.361 20 0 EGADRP C[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000311229010 1297106046 /nfs/dbraw/zinc/10/60/46/1297106046.db2.gz YXRQHUDEEZLLPV-GXRSIYKFSA-N 2 0 341.543 3.409 20 0 EGADRP CCCN1CC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350435 1297254500 /nfs/dbraw/zinc/25/45/00/1297254500.db2.gz NGDRUBFAZLGOGZ-BBRMVZONSA-N 2 0 325.294 3.454 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)c1 ZINC000340476873 1297314759 /nfs/dbraw/zinc/31/47/59/1297314759.db2.gz IPHTWASUMLPMAW-DBVUQKKJSA-N 2 0 341.503 3.249 20 0 EGADRP Cn1nnc2cc(C[N@@H+]3CCC[C@@H](C[C@H]([NH3+])C4CCCC4)C3)ccc21 ZINC000873232005 1297371899 /nfs/dbraw/zinc/37/18/99/1297371899.db2.gz IWAFGSLSQCQKGA-YJBOKZPZSA-N 2 0 341.503 3.088 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873233002 1297374570 /nfs/dbraw/zinc/37/45/70/1297374570.db2.gz VQORIZJZONKIMW-JKSUJKDBSA-N 2 0 335.517 3.397 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1C[NH+]1CCCCC1 ZINC000873257818 1297393422 /nfs/dbraw/zinc/39/34/22/1297393422.db2.gz UZCYJOROJBEFMH-BXWFABGCSA-N 3 0 331.504 3.069 20 0 EGADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000873281900 1297407866 /nfs/dbraw/zinc/40/78/66/1297407866.db2.gz QNCFKQIRCQNXIT-GRDNDAEWSA-N 2 0 349.316 3.458 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290138 1297412829 /nfs/dbraw/zinc/41/28/29/1297412829.db2.gz BEVXTSACDYDJHU-AABGKKOBSA-N 2 0 328.500 3.379 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379654843 1297536417 /nfs/dbraw/zinc/53/64/17/1297536417.db2.gz KDKFUPBAQYUAGA-HSALFYBXSA-N 2 0 343.515 3.065 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000390851063 1297633728 /nfs/dbraw/zinc/63/37/28/1297633728.db2.gz HWDHHBMMJBYFCO-INIZCTEOSA-N 2 0 330.394 3.203 20 0 EGADRP CN(Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)OC(C)(C)C ZINC000405277820 1297764814 /nfs/dbraw/zinc/76/48/14/1297764814.db2.gz AALSRGMGDUKEOB-IAGOWNOFSA-N 2 0 347.503 3.269 20 0 EGADRP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C2 ZINC000423523094 1297797353 /nfs/dbraw/zinc/79/73/53/1297797353.db2.gz VKZGJJAVJBCTHL-HKUYNNGSSA-N 2 0 326.440 3.069 20 0 EGADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711105429 1298260125 /nfs/dbraw/zinc/26/01/25/1298260125.db2.gz HNNVRHDLMOFVKO-GCLMUHHRSA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000715558559 1298280531 /nfs/dbraw/zinc/28/05/31/1298280531.db2.gz PNUBQYVREVJXRW-HOTGVXAUSA-N 2 0 341.540 3.484 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000720142229 1298324401 /nfs/dbraw/zinc/32/44/01/1298324401.db2.gz KDIBNBTVQAVFFD-GFOJFJKKSA-N 2 0 328.500 3.446 20 0 EGADRP Nc1c(Cl)cccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000877136605 1299176024 /nfs/dbraw/zinc/17/60/24/1299176024.db2.gz JDUNPXSGUBQBCR-UHFFFAOYSA-N 2 0 330.863 3.323 20 0 EGADRP c1ccc([C@@H]2C[C@@H](NCC[NH+]3CCCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877145583 1299180352 /nfs/dbraw/zinc/18/03/52/1299180352.db2.gz MCYOZVPENMIMSP-FPOVZHCZSA-N 2 0 327.516 3.430 20 0 EGADRP CCn1nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000877684114 1299477884 /nfs/dbraw/zinc/47/78/84/1299477884.db2.gz GVBMEFNNTREACO-UHFFFAOYSA-N 2 0 326.488 3.364 20 0 EGADRP CC(C)(O)C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000877754853 1299531001 /nfs/dbraw/zinc/53/10/01/1299531001.db2.gz VDPSEGVEFYRVJT-UHFFFAOYSA-N 2 0 346.515 3.144 20 0 EGADRP c1ccc(C(c2ccccc2)[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000753883590 1300035047 /nfs/dbraw/zinc/03/50/47/1300035047.db2.gz OOMXYGUNQHRMPV-UHFFFAOYSA-N 2 0 349.522 3.489 20 0 EGADRP O[C@@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000878747595 1300173308 /nfs/dbraw/zinc/17/33/08/1300173308.db2.gz MKJHJMPRMDSECT-QFIPXVFZSA-N 2 0 347.462 3.481 20 0 EGADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCC4OCCCO4)C3)C2)cc1 ZINC000754659732 1300185643 /nfs/dbraw/zinc/18/56/43/1300185643.db2.gz LPBZORAFQPNZEB-OAQYLSRUSA-N 2 0 344.499 3.128 20 0 EGADRP C[NH+]1CCC2(CCN(Cc3noc(-c4ccccc4)n3)CC2)CC1 ZINC000879248885 1300453085 /nfs/dbraw/zinc/45/30/85/1300453085.db2.gz XPGVBDBSPWRPFD-UHFFFAOYSA-N 2 0 326.444 3.044 20 0 EGADRP Cc1ccc(NC(=O)CN2CCC3(CC2)CC[NH+](C)CC3)c(Cl)c1 ZINC000879249317 1300453294 /nfs/dbraw/zinc/45/32/94/1300453294.db2.gz MAQMCIGASCXXKN-UHFFFAOYSA-N 2 0 349.906 3.395 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568889 1300607021 /nfs/dbraw/zinc/60/70/21/1300607021.db2.gz FICZXNNFGCNVES-TZIWHRDSSA-N 2 0 349.478 3.465 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880517345 1301145976 /nfs/dbraw/zinc/14/59/76/1301145976.db2.gz NOROZZBBEYBIAO-LJQANCHMSA-N 2 0 345.487 3.210 20 0 EGADRP COc1ccc2c(NC[C@H](C(C)C)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000765458326 1302267044 /nfs/dbraw/zinc/26/70/44/1302267044.db2.gz BXYRGFLKBPCFAB-LJQANCHMSA-N 2 0 329.444 3.012 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000765805507 1302332060 /nfs/dbraw/zinc/33/20/60/1302332060.db2.gz OAYWMUFGQVQUIP-DLBZAZTESA-N 2 0 341.540 3.342 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000883387134 1302426427 /nfs/dbraw/zinc/42/64/27/1302426427.db2.gz SCLUKZABQUXNLD-LEWJYISDSA-N 2 0 335.451 3.472 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883431644 1302442295 /nfs/dbraw/zinc/44/22/95/1302442295.db2.gz ALILKKFHFRQURT-JSXRDJHFSA-N 2 0 344.499 3.125 20 0 EGADRP CCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369468 1302654272 /nfs/dbraw/zinc/65/42/72/1302654272.db2.gz FIUFIBHVJGXFRH-SJORKVTESA-N 2 0 339.524 3.192 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCc2ccccc2F)cc1 ZINC000769030504 1303034418 /nfs/dbraw/zinc/03/44/18/1303034418.db2.gz SBORIYOZXLQJHJ-UHFFFAOYSA-N 2 0 330.447 3.441 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000886081129 1303349584 /nfs/dbraw/zinc/34/95/84/1303349584.db2.gz JHEQMBMXAGXKMC-OYNPSCLESA-N 2 0 346.515 3.023 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000886489633 1303475157 /nfs/dbraw/zinc/47/51/57/1303475157.db2.gz NHBCQFFIULVYOC-UHFFFAOYSA-N 2 0 330.472 3.345 20 0 EGADRP CC(C)CC(=O)N1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886516740 1303483793 /nfs/dbraw/zinc/48/37/93/1303483793.db2.gz WPHYQUOLOZMPOE-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc(-n3cncn3)c2)CC1 ZINC000886527998 1303488534 /nfs/dbraw/zinc/48/85/34/1303488534.db2.gz DWWUBPLRXWDSSK-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000773034322 1303612880 /nfs/dbraw/zinc/61/28/80/1303612880.db2.gz AOZXHHNOOPEZNY-XWCIJXRUSA-N 2 0 328.859 3.221 20 0 EGADRP C[C@H](COCc1ccccc1)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000886839399 1303617383 /nfs/dbraw/zinc/61/73/83/1303617383.db2.gz DITRWMBNQDWLIL-DZFGPLHGSA-N 2 0 346.515 3.058 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cc[nH+]1 ZINC000775399857 1303955924 /nfs/dbraw/zinc/95/59/24/1303955924.db2.gz GHNIQIXZBZKGOX-KZNAEPCWSA-N 2 0 349.569 3.267 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2c[nH]nc2C)ccc1OC ZINC000775410224 1303959191 /nfs/dbraw/zinc/95/91/91/1303959191.db2.gz IFFGRPZKCRNGRW-CQSZACIVSA-N 2 0 330.476 3.419 20 0 EGADRP C[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777299074 1304280672 /nfs/dbraw/zinc/28/06/72/1304280672.db2.gz AFPQPTBHIUCEPY-WMZOPIPTSA-N 2 0 330.520 3.112 20 0 EGADRP C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893413551 1305881579 /nfs/dbraw/zinc/88/15/79/1305881579.db2.gz WKALUMMRVMKMAG-APWZRJJASA-N 2 0 338.499 3.298 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000790748967 1308858469 /nfs/dbraw/zinc/85/84/69/1308858469.db2.gz SROCXLGTENMENH-HOTGVXAUSA-N 2 0 341.540 3.390 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnn(CC3CCC3)c2)cc1 ZINC000894455273 1308899049 /nfs/dbraw/zinc/89/90/49/1308899049.db2.gz BXTSQWBBVWIHEF-UHFFFAOYSA-N 2 0 326.488 3.377 20 0 EGADRP CCOC(=O)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000792195667 1309141422 /nfs/dbraw/zinc/14/14/22/1309141422.db2.gz DGSQINQFDYEAFN-UHFFFAOYSA-N 2 0 336.520 3.497 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000793519689 1309391288 /nfs/dbraw/zinc/39/12/88/1309391288.db2.gz CEPOGSKXAQHOED-QGZVFWFLSA-N 2 0 326.488 3.291 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1cccc(NC2CC[NH+](CC)CC2)c1 ZINC000793625932 1309419691 /nfs/dbraw/zinc/41/96/91/1309419691.db2.gz WDOUXPNNDYKCED-UHFFFAOYSA-N 2 0 347.503 3.081 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895693992 1309469112 /nfs/dbraw/zinc/46/91/12/1309469112.db2.gz OMOOGXYVVMEUMT-QFBILLFUSA-N 2 0 338.499 3.155 20 0 EGADRP C([NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CCC2(CC1)OCCO2 ZINC000795911803 1309859223 /nfs/dbraw/zinc/85/92/23/1309859223.db2.gz JAZNADFIWDBRDZ-UHFFFAOYSA-N 2 0 336.520 3.164 20 0 EGADRP CCc1ccc([C@H](O)C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000796449300 1310002653 /nfs/dbraw/zinc/00/26/53/1310002653.db2.gz HFIWQCPSEGLJJT-OAQYLSRUSA-N 2 0 342.483 3.013 20 0 EGADRP CSc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000897863948 1310497985 /nfs/dbraw/zinc/49/79/85/1310497985.db2.gz JESRGUQZJJSXKR-IAGOWNOFSA-N 2 0 349.544 3.000 20 0 EGADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000799726893 1310606165 /nfs/dbraw/zinc/60/61/65/1310606165.db2.gz SNJPFOJADPOYPA-IBGZPJMESA-N 2 0 345.531 3.078 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccc4c[nH+]cn4c3)c2)C1 ZINC000857288889 1328526250 /nfs/dbraw/zinc/52/62/50/1328526250.db2.gz ULANIDCGLXTHNB-LJQANCHMSA-N 2 0 348.450 3.074 20 0 EGADRP C(CCCC[N@@H+]1CCOCC12CC2)CCC[NH+]1CCOCC12CC2 ZINC000801980990 1316973918 /nfs/dbraw/zinc/97/39/18/1316973918.db2.gz GLKJWXGCPMHNPX-UHFFFAOYSA-N 2 0 336.520 3.057 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001018961764 1316988471 /nfs/dbraw/zinc/98/84/71/1316988471.db2.gz RKVHGWVFESKGRQ-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC001018972631 1316991845 /nfs/dbraw/zinc/99/18/45/1316991845.db2.gz GTSNGLCTHFYAJG-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000956959157 1317099310 /nfs/dbraw/zinc/09/93/10/1317099310.db2.gz YRNFNRRCSFAOQC-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000957279649 1317257988 /nfs/dbraw/zinc/25/79/88/1317257988.db2.gz ZFXCXKZBLXKRTH-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001019469625 1317264112 /nfs/dbraw/zinc/26/41/12/1317264112.db2.gz FPAFZEHRLSPILS-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019632505 1317310593 /nfs/dbraw/zinc/31/05/93/1317310593.db2.gz PEEYFLWOKKORIU-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957545472 1317440954 /nfs/dbraw/zinc/44/09/54/1317440954.db2.gz OBIOQOVUKJLNSU-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)C1 ZINC000957592293 1317482553 /nfs/dbraw/zinc/48/25/53/1317482553.db2.gz WEPZFHWGAHJMPO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)c3occc3C[NH+](C)C)CC2)CC1 ZINC000957592047 1317482814 /nfs/dbraw/zinc/48/28/14/1317482814.db2.gz IBWNCLYZDDPKJT-UHFFFAOYSA-N 2 0 347.503 3.068 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000858167570 1328701909 /nfs/dbraw/zinc/70/19/09/1328701909.db2.gz VALGMKRWEKNFOL-NVXWUHKLSA-N 2 0 344.503 3.130 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2NC)[C@@H](C)C1 ZINC000902245363 1317551893 /nfs/dbraw/zinc/55/18/93/1317551893.db2.gz QCKBUKBHOVHULV-PKOBYXMFSA-N 2 0 333.520 3.263 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020144186 1317559326 /nfs/dbraw/zinc/55/93/26/1317559326.db2.gz TYVLJORJSXKZGK-CGBFIWBNSA-N 2 0 343.515 3.166 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020144197 1317560094 /nfs/dbraw/zinc/56/00/94/1317560094.db2.gz UMMOVNAWDRHVPN-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902348424 1317566804 /nfs/dbraw/zinc/56/68/04/1317566804.db2.gz LVUZYPYIRXAEKY-QAPCUYQASA-N 2 0 331.504 3.083 20 0 EGADRP C[C@]1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000902384678 1317571359 /nfs/dbraw/zinc/57/13/59/1317571359.db2.gz UNTKLSZPKFUZNX-TZIWHRDSSA-N 2 0 329.532 3.266 20 0 EGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1([NH3+])CC1 ZINC000902407609 1317575024 /nfs/dbraw/zinc/57/50/24/1317575024.db2.gz RRNUNLLLBHWEFI-SECBINFHSA-N 2 0 349.784 3.157 20 0 EGADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1SC(F)(F)F ZINC000902514777 1317584769 /nfs/dbraw/zinc/58/47/69/1317584769.db2.gz PUHJKXGNVUKHQF-DGCLKSJQSA-N 2 0 334.407 3.155 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000902527241 1317587906 /nfs/dbraw/zinc/58/79/06/1317587906.db2.gz HDQXVZKUEKODOO-ZHALLVOQSA-N 2 0 331.504 3.207 20 0 EGADRP CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000957753519 1317621800 /nfs/dbraw/zinc/62/18/00/1317621800.db2.gz UEMYDHUJQHKTCR-FDYSRKEFSA-N 2 0 349.563 3.077 20 0 EGADRP c1ccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903067361 1317647130 /nfs/dbraw/zinc/64/71/30/1317647130.db2.gz RYUKSUBIIJEPBY-IZBPLUDHSA-N 2 0 325.500 3.260 20 0 EGADRP c1ccc(CCOCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903071854 1317647474 /nfs/dbraw/zinc/64/74/74/1317647474.db2.gz BOVINUVSBSIFPZ-VCSGRIEYSA-N 2 0 328.500 3.383 20 0 EGADRP c1cn(-c2ccccc2)nc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903086505 1317651042 /nfs/dbraw/zinc/65/10/42/1317651042.db2.gz OEXYYDDTVIKJCF-PRJVBOEPSA-N 2 0 336.483 3.162 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C2 ZINC000903119490 1317656920 /nfs/dbraw/zinc/65/69/20/1317656920.db2.gz SGWACXNNKADCJH-LDFOPSEGSA-N 2 0 336.907 3.470 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000903118313 1317657366 /nfs/dbraw/zinc/65/73/66/1317657366.db2.gz XGBYOEONVFRPSM-IWUPYOBGSA-N 2 0 346.515 3.216 20 0 EGADRP COc1ccccc1OC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903130329 1317660517 /nfs/dbraw/zinc/66/05/17/1317660517.db2.gz LVZDOFXXVGNXGK-WELJNPPOSA-N 2 0 344.499 3.458 20 0 EGADRP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(=O)OC(C)(C)C ZINC000903197437 1317672702 /nfs/dbraw/zinc/67/27/02/1317672702.db2.gz YUTXNMGCTVCMIY-ONQFOCNCSA-N 2 0 336.520 3.348 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)cc1C[NH+]1CCCCC1 ZINC000903394384 1317696229 /nfs/dbraw/zinc/69/62/29/1317696229.db2.gz BFXMPCVATOVOPK-BXWFABGCSA-N 2 0 332.488 3.367 20 0 EGADRP CCc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000903459689 1317702811 /nfs/dbraw/zinc/70/28/11/1317702811.db2.gz WVJHMMCBUPJLMN-LJQANCHMSA-N 2 0 349.482 3.290 20 0 EGADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729073 1317725757 /nfs/dbraw/zinc/72/57/57/1317725757.db2.gz JKFWFLFODOGECS-WOJBJXKFSA-N 2 0 328.500 3.161 20 0 EGADRP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903728717 1317725885 /nfs/dbraw/zinc/72/58/85/1317725885.db2.gz FIBXDCKUAJRIOX-HNAYVOBHSA-N 2 0 336.907 3.475 20 0 EGADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[C@H]1c1ccccc1 ZINC000903734953 1317726903 /nfs/dbraw/zinc/72/69/03/1317726903.db2.gz XVMLWJYZSLVEIM-PMXSJFBMSA-N 2 0 328.500 3.271 20 0 EGADRP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734610 1317727404 /nfs/dbraw/zinc/72/74/04/1317727404.db2.gz SVMTVDZMSMPETP-ATZDWAIDSA-N 2 0 332.463 3.367 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020499929 1317730826 /nfs/dbraw/zinc/73/08/26/1317730826.db2.gz INXQJHJYFMCZJX-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770827 1317731583 /nfs/dbraw/zinc/73/15/83/1317731583.db2.gz YYRJMJBATBJKLX-WSTZPKSXSA-N 2 0 332.463 3.162 20 0 EGADRP COc1cc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)ccc1O ZINC000903903228 1317745926 /nfs/dbraw/zinc/74/59/26/1317745926.db2.gz HDTHICZPZYLJFD-UHFFFAOYSA-N 2 0 338.451 3.211 20 0 EGADRP COc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1OCc1ccccc1 ZINC000903938881 1317752348 /nfs/dbraw/zinc/75/23/48/1317752348.db2.gz OLCWJPHXMPBXHG-UHFFFAOYSA-N 2 0 328.456 3.491 20 0 EGADRP CCCOc1ccccc1Oc1ncccc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904360629 1317836422 /nfs/dbraw/zinc/83/64/22/1317836422.db2.gz MZQIYDITQBFBAG-UHFFFAOYSA-N 2 0 341.455 3.490 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C2CC(C[NH3+])C2)ccc1OCc1ccncc1 ZINC000904359825 1317836441 /nfs/dbraw/zinc/83/64/41/1317836441.db2.gz DRNGLKVNMARWDJ-MXWWQKGMSA-N 2 0 341.455 3.057 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904410313 1317843426 /nfs/dbraw/zinc/84/34/26/1317843426.db2.gz OFXAWEDURXQACM-IBGZPJMESA-N 2 0 326.488 3.027 20 0 EGADRP COc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc(OC)c1O ZINC000809624678 1317849870 /nfs/dbraw/zinc/84/98/70/1317849870.db2.gz OQZNZBZKFWHZFN-UHFFFAOYSA-N 2 0 348.487 3.296 20 0 EGADRP CC(=O)Nc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC000904459530 1317850852 /nfs/dbraw/zinc/85/08/52/1317850852.db2.gz UKGVTFPPGCJSQR-UHFFFAOYSA-N 2 0 337.467 3.138 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020675805 1317852593 /nfs/dbraw/zinc/85/25/93/1317852593.db2.gz GKTGHPHPDFVWIM-AFYVEPGGSA-N 2 0 343.515 3.247 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cnc1Cl ZINC000904476943 1317853169 /nfs/dbraw/zinc/85/31/69/1317853169.db2.gz VBPUJMLKRLBXRY-QFBILLFUSA-N 2 0 343.858 3.389 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000904666493 1317879621 /nfs/dbraw/zinc/87/96/21/1317879621.db2.gz UUEPFKVKJFNINC-UHFFFAOYSA-N 2 0 344.503 3.456 20 0 EGADRP CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738587 1317884575 /nfs/dbraw/zinc/88/45/75/1317884575.db2.gz AHVWQWNNGMDGHS-UHFFFAOYSA-N 2 0 325.456 3.339 20 0 EGADRP C[NH+](C)Cc1cc(-c2ccc([C@]3(O)CCC[NH2+]C3)cc2)ccc1F ZINC000904805559 1317900441 /nfs/dbraw/zinc/90/04/41/1317900441.db2.gz BYAGSZMCWCMGGZ-FQEVSTJZSA-N 2 0 328.431 3.125 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)F ZINC000905044484 1317916734 /nfs/dbraw/zinc/91/67/34/1317916734.db2.gz COXLPYDXYXSTQN-RDTXWAMCSA-N 2 0 326.431 3.167 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020927925 1318000950 /nfs/dbraw/zinc/00/09/50/1318000950.db2.gz PVRPWQDQZGRMPD-LWYYNNOASA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000906885295 1318159861 /nfs/dbraw/zinc/15/98/61/1318159861.db2.gz JTTJDZMKBSZDRV-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)CC1 ZINC001021368455 1318214439 /nfs/dbraw/zinc/21/44/39/1318214439.db2.gz MLDWQODEPPEHFO-IHWFROFDSA-N 2 0 347.547 3.020 20 0 EGADRP CC1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)CC1 ZINC001021420888 1318242177 /nfs/dbraw/zinc/24/21/77/1318242177.db2.gz ZBLQQTYCNMKVDJ-IHWFROFDSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC000960007448 1318310084 /nfs/dbraw/zinc/31/00/84/1318310084.db2.gz GHUVACXQDHJHAR-SLFFLAALSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960008430 1318310282 /nfs/dbraw/zinc/31/02/82/1318310282.db2.gz UDRUQKBOMKIWRL-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960022006 1318316577 /nfs/dbraw/zinc/31/65/77/1318316577.db2.gz JRWBFTLPEOWECB-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC000960022969 1318317370 /nfs/dbraw/zinc/31/73/70/1318317370.db2.gz QPSDVFRSHYOIAV-PXNSSMCTSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC000960044609 1318328442 /nfs/dbraw/zinc/32/84/42/1318328442.db2.gz UNSORJKPSMGSDP-YSIASYRMSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000960268160 1318435655 /nfs/dbraw/zinc/43/56/55/1318435655.db2.gz RYPQTGIDWYSZLW-RTBURBONSA-N 2 0 343.515 3.031 20 0 EGADRP CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000910270449 1318590874 /nfs/dbraw/zinc/59/08/74/1318590874.db2.gz MUBYBERSXPZZSB-SFHVURJKSA-N 2 0 343.515 3.229 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000960686884 1318793067 /nfs/dbraw/zinc/79/30/67/1318793067.db2.gz JBQUQSZYESGFNR-PMACEKPBSA-N 2 0 345.531 3.004 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001022434233 1318939180 /nfs/dbraw/zinc/93/91/80/1318939180.db2.gz BETCBTAATHMOIN-LZQZEXGQSA-N 2 0 348.450 3.254 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001022435049 1318940110 /nfs/dbraw/zinc/94/01/10/1318940110.db2.gz RITVOUJKMHFOLD-SAJCDORXSA-N 2 0 340.471 3.011 20 0 EGADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000815599145 1319024002 /nfs/dbraw/zinc/02/40/02/1319024002.db2.gz LYIUZGGNCGDIQJ-OAHLLOKOSA-N 2 0 331.435 3.320 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001022804916 1319117434 /nfs/dbraw/zinc/11/74/34/1319117434.db2.gz SLOVGDMWDWWINM-YTQUADARSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001022809450 1319120032 /nfs/dbraw/zinc/12/00/32/1319120032.db2.gz MHWZEYGWWFBXFU-KVPLUYHFSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC000961029975 1319153766 /nfs/dbraw/zinc/15/37/66/1319153766.db2.gz ANNAWPDKJUDLLD-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000816451947 1319159738 /nfs/dbraw/zinc/15/97/38/1319159738.db2.gz UFEKRERXWOOXFM-OXJNMPFZSA-N 2 0 349.434 3.402 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022975536 1319197935 /nfs/dbraw/zinc/19/79/35/1319197935.db2.gz OBRDFXXQZMZQEA-YSTOQKLRSA-N 2 0 347.547 3.234 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CCN(OC)CC2)ccc1OC ZINC000817588368 1319407394 /nfs/dbraw/zinc/40/73/94/1319407394.db2.gz OLCJTOZYXYYUAB-MRXNPFEDSA-N 2 0 349.519 3.213 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001023274427 1319407993 /nfs/dbraw/zinc/40/79/93/1319407993.db2.gz ZJHLCPBPCMVHSR-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(-c2nc(-c3ccc(C[NH3+])cc3F)no2)o1 ZINC000817864829 1319449124 /nfs/dbraw/zinc/44/91/24/1319449124.db2.gz CZNUFOXBVSCFJH-UHFFFAOYSA-N 2 0 344.390 3.436 20 0 EGADRP [NH3+][C@@H]1C[C@@H](NC[C@H](O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000817890412 1319451237 /nfs/dbraw/zinc/45/12/37/1319451237.db2.gz SZCAFAOJIMGGQL-ZACQAIPSSA-N 2 0 336.357 3.473 20 0 EGADRP Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)cc1 ZINC000817897202 1319455800 /nfs/dbraw/zinc/45/58/00/1319455800.db2.gz GZVYKXOYIGFLCD-IEBWSBKVSA-N 2 0 338.499 3.477 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000817905763 1319456583 /nfs/dbraw/zinc/45/65/83/1319456583.db2.gz NRWSWBSWWRTERS-QFYYESIMSA-N 2 0 337.826 3.025 20 0 EGADRP COc1ccc(C)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817909079 1319458070 /nfs/dbraw/zinc/45/80/70/1319458070.db2.gz XKCQCDWRQHMUCP-RXVVDRJESA-N 2 0 338.451 3.349 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@H](O)c1c(F)cccc1F ZINC000817919545 1319460524 /nfs/dbraw/zinc/46/05/24/1319460524.db2.gz SRPBMLURZYSMSH-KHDYIWLOSA-N 2 0 349.425 3.290 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000817922247 1319461414 /nfs/dbraw/zinc/46/14/14/1319461414.db2.gz CALZAOGQCADMCG-ZOCIIQOWSA-N 2 0 332.875 3.096 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000817948301 1319472976 /nfs/dbraw/zinc/47/29/76/1319472976.db2.gz WUYRVIBTZPSCRX-MRXNPFEDSA-N 2 0 325.456 3.003 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023402840 1319509712 /nfs/dbraw/zinc/50/97/12/1319509712.db2.gz UPQVXLZYMUPYKZ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000961433728 1319587759 /nfs/dbraw/zinc/58/77/59/1319587759.db2.gz BUHBJBGRLWGRAN-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818960399 1319590653 /nfs/dbraw/zinc/59/06/53/1319590653.db2.gz YXZKHNBBQDAJLK-PBHICJAKSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000818970676 1319597038 /nfs/dbraw/zinc/59/70/38/1319597038.db2.gz XUADIMKTYOQNAN-DYVFJYSZSA-N 2 0 328.859 3.224 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000818969628 1319597410 /nfs/dbraw/zinc/59/74/10/1319597410.db2.gz REMNWBMROVDUEV-YOEHRIQHSA-N 2 0 344.421 3.450 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818981766 1319603243 /nfs/dbraw/zinc/60/32/43/1319603243.db2.gz YOKJCNYMGZNQAH-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818988500 1319607347 /nfs/dbraw/zinc/60/73/47/1319607347.db2.gz AFBYXZXZBJOXQV-INIZCTEOSA-N 2 0 331.287 3.348 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819133322 1319645001 /nfs/dbraw/zinc/64/50/01/1319645001.db2.gz OCYLQRQCJQMPQK-ARFHVFGLSA-N 2 0 330.394 3.201 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001023554857 1319665630 /nfs/dbraw/zinc/66/56/30/1319665630.db2.gz RLXDDRRYFWZTBL-IHPCNDPISA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560692 1319673142 /nfs/dbraw/zinc/67/31/42/1319673142.db2.gz ULBQNGKDRVDYLC-KRWDZBQOSA-N 2 0 349.519 3.219 20 0 EGADRP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC)C1 ZINC001023696982 1319822416 /nfs/dbraw/zinc/82/24/16/1319822416.db2.gz ZSDZRGREVJVZQG-OALUTQOASA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC)C1 ZINC001023696983 1319823097 /nfs/dbraw/zinc/82/30/97/1319823097.db2.gz ZSDZRGREVJVZQG-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000917840295 1319879502 /nfs/dbraw/zinc/87/95/02/1319879502.db2.gz UZQATAVSPSAREJ-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@H](C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC000962385919 1319945143 /nfs/dbraw/zinc/94/51/43/1319945143.db2.gz XCQPNORYUPAMGF-QHGAOEGBSA-N 2 0 347.547 3.236 20 0 EGADRP OC[C@H]1C=C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000820814181 1319958723 /nfs/dbraw/zinc/95/87/23/1319958723.db2.gz GFLYPWXRAJDPPA-SPYJTGKRSA-N 2 0 326.484 3.099 20 0 EGADRP c1cc(N2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cc[nH+]1 ZINC000820815291 1319958999 /nfs/dbraw/zinc/95/89/99/1319958999.db2.gz RGTWELJTXAERKY-PRJVBOEPSA-N 3 0 340.515 3.045 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000820829206 1319964712 /nfs/dbraw/zinc/96/47/12/1319964712.db2.gz GMCXNRXMOZVZJS-YWZLYKJASA-N 2 0 330.447 3.446 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000822455949 1320083912 /nfs/dbraw/zinc/08/39/12/1320083912.db2.gz NGBDAMNVNXKBFS-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000822919823 1320136855 /nfs/dbraw/zinc/13/68/55/1320136855.db2.gz KWRCIKJNXUMGGP-QAPCUYQASA-N 2 0 340.471 3.434 20 0 EGADRP C[C@H]([NH3+])[C@H](C)c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000822919550 1320137065 /nfs/dbraw/zinc/13/70/65/1320137065.db2.gz JQSSOFIDMXTLOA-GJZGRUSLSA-N 2 0 328.460 3.419 20 0 EGADRP COC(=O)c1oc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000825326931 1320328131 /nfs/dbraw/zinc/32/81/31/1320328131.db2.gz SSIPZPIQXKZYTB-UHFFFAOYSA-N 2 0 334.460 3.261 20 0 EGADRP [NH3+]Cc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000827510184 1320457508 /nfs/dbraw/zinc/45/75/08/1320457508.db2.gz YGLOWCALJQQYJR-UHFFFAOYSA-N 2 0 337.467 3.426 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000930574875 1328901361 /nfs/dbraw/zinc/90/13/61/1328901361.db2.gz QHJXEHFKFPSJEG-IBGZPJMESA-N 2 0 329.488 3.136 20 0 EGADRP O[C@H](CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)c1ccccc1 ZINC000839600807 1320943577 /nfs/dbraw/zinc/94/35/77/1320943577.db2.gz GNJRPANIZBQOED-JOCHJYFZSA-N 2 0 347.462 3.481 20 0 EGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000841080577 1321215198 /nfs/dbraw/zinc/21/51/98/1321215198.db2.gz PBXHRVOISHLMAP-LBPRGKRZSA-N 2 0 338.858 3.249 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000841085161 1321216221 /nfs/dbraw/zinc/21/62/21/1321216221.db2.gz VVWKMBQBJMVJNP-IEBWSBKVSA-N 2 0 339.483 3.494 20 0 EGADRP Cc1ccc(CNC(=O)C2CC[NH+](CCCCCCC[NH3+])CC2)cc1 ZINC000842471833 1321392333 /nfs/dbraw/zinc/39/23/33/1321392333.db2.gz CBHNZUDJAKUSDD-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000843055976 1321462943 /nfs/dbraw/zinc/46/29/43/1321462943.db2.gz BFCYWMFPKPXWNB-UHFFFAOYSA-N 2 0 330.444 3.331 20 0 EGADRP [NH3+]CC1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CCCC1 ZINC000843181330 1321482736 /nfs/dbraw/zinc/48/27/36/1321482736.db2.gz DKYHUGMOEQFKMW-UHFFFAOYSA-N 2 0 326.444 3.103 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843340273 1321502010 /nfs/dbraw/zinc/50/20/10/1321502010.db2.gz KVVUYJURFAJVBF-PBXXVYOESA-N 2 0 343.298 3.393 20 0 EGADRP CCC[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C1CC[NH2+]CC1 ZINC000843360944 1321506168 /nfs/dbraw/zinc/50/61/68/1321506168.db2.gz ZBBWUOITDFXHQY-UHFFFAOYSA-N 2 0 328.456 3.374 20 0 EGADRP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843388698 1321510564 /nfs/dbraw/zinc/51/05/64/1321510564.db2.gz WJAPCULVUIHFCA-SJORKVTESA-N 2 0 343.515 3.244 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000844923869 1321658613 /nfs/dbraw/zinc/65/86/13/1321658613.db2.gz LMLKXIDPEGUHHH-CQSZACIVSA-N 2 0 341.430 3.262 20 0 EGADRP CCOC(=O)N1CCC([NH2+]CCC[N@H+](CC)C2CCCCC2)CC1 ZINC000846021546 1321763215 /nfs/dbraw/zinc/76/32/15/1321763215.db2.gz CIQWQNAJYLIZLI-UHFFFAOYSA-N 2 0 339.524 3.242 20 0 EGADRP CC(C)(C)c1nc(CN2CC[NH+](CCCCCC[NH3+])CC2)cs1 ZINC000846219915 1321777321 /nfs/dbraw/zinc/77/73/21/1321777321.db2.gz BZFKCBWYLHOZEW-UHFFFAOYSA-N 2 0 338.565 3.077 20 0 EGADRP [NH3+]CCCCCC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000846221161 1321777441 /nfs/dbraw/zinc/77/74/41/1321777441.db2.gz UJCKDSMDSQOJNS-UHFFFAOYSA-N 2 0 340.309 3.090 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(Br)CC1 ZINC000846856738 1321817503 /nfs/dbraw/zinc/81/75/03/1321817503.db2.gz GLAOHKLMKIWYJW-ZBFHGGJFSA-N 2 0 337.305 3.414 20 0 EGADRP c1cc(-c2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)ccc1C[NH+]1CCCC1 ZINC000848618792 1321981248 /nfs/dbraw/zinc/98/12/48/1321981248.db2.gz WDZJJHWCWVCBFA-XLIONFOSSA-N 2 0 338.455 3.190 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848881731 1322027355 /nfs/dbraw/zinc/02/73/55/1322027355.db2.gz RNNNAYHAOFEQMM-HJWRWDBZSA-N 2 0 348.487 3.410 20 0 EGADRP C[C@H]1C[C@H](CCNC(=[NH2+])NC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989175 1322056755 /nfs/dbraw/zinc/05/67/55/1322056755.db2.gz CSLRHPFBGAQMNW-WMZOPIPTSA-N 2 0 328.504 3.344 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1Cl ZINC000849057857 1322061781 /nfs/dbraw/zinc/06/17/81/1322061781.db2.gz XKKPRWPPNUBEMR-CQSZACIVSA-N 2 0 343.302 3.134 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)Cc1ccccc1 ZINC000849063545 1322062913 /nfs/dbraw/zinc/06/29/13/1322062913.db2.gz JAVZXDOEPRWUOM-IEBWSBKVSA-N 2 0 330.520 3.196 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2ccccc2)o1 ZINC000849070122 1322066517 /nfs/dbraw/zinc/06/65/17/1322066517.db2.gz HLTINDXAAIKDNF-MRXNPFEDSA-N 2 0 326.444 3.045 20 0 EGADRP [NH2+]=C(NCCc1ccccc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849105854 1322079887 /nfs/dbraw/zinc/07/98/87/1322079887.db2.gz FXQRMLWPPVWSOA-LJQANCHMSA-N 2 0 328.504 3.140 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000850424380 1322245307 /nfs/dbraw/zinc/24/53/07/1322245307.db2.gz JKHOMJHSOLAOAF-OQSMONGASA-N 2 0 339.524 3.001 20 0 EGADRP CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000921696144 1322380170 /nfs/dbraw/zinc/38/01/70/1322380170.db2.gz GHWKHOMYQRZAOK-ICSRJNTNSA-N 2 0 348.556 3.407 20 0 EGADRP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922847555 1322631577 /nfs/dbraw/zinc/63/15/77/1322631577.db2.gz AFWVFPFRTWMQCT-UHFFFAOYSA-N 2 0 347.551 3.106 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000922845331 1322631834 /nfs/dbraw/zinc/63/18/34/1322631834.db2.gz OEFQGQWXAASAPR-UHFFFAOYSA-N 2 0 330.501 3.430 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000922846336 1322631939 /nfs/dbraw/zinc/63/19/39/1322631939.db2.gz CFXOABQUFLHHJT-UHFFFAOYSA-N 2 0 333.442 3.010 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000923321628 1322734138 /nfs/dbraw/zinc/73/41/38/1322734138.db2.gz GIUOLQKRRRIQSG-ASJDWODUSA-N 3 0 333.564 3.351 20 0 EGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000923438587 1322751754 /nfs/dbraw/zinc/75/17/54/1322751754.db2.gz AKAAMHHJGPDYBA-SLFFLAALSA-N 2 0 344.499 3.127 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000923483952 1322759776 /nfs/dbraw/zinc/75/97/76/1322759776.db2.gz UIJLYNRAAQSOBF-HNNXBMFYSA-N 2 0 345.874 3.485 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000924570537 1323058244 /nfs/dbraw/zinc/05/82/44/1323058244.db2.gz OZSROOWPMJJQRJ-SCLBCKFNSA-N 2 0 349.494 3.290 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000924578225 1323061297 /nfs/dbraw/zinc/06/12/97/1323061297.db2.gz MGKVEHRJKLFHOY-LBPRGKRZSA-N 2 0 348.293 3.421 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001024018749 1323080164 /nfs/dbraw/zinc/08/01/64/1323080164.db2.gz SFWOZMFEEUIPMM-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(-c2ccccc2)no1 ZINC000924637852 1323087785 /nfs/dbraw/zinc/08/77/85/1323087785.db2.gz VEMQGHXGPUFFOF-MRXNPFEDSA-N 2 0 342.487 3.018 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000962808073 1323105905 /nfs/dbraw/zinc/10/59/05/1323105905.db2.gz HYURHONANBKJHI-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000924679573 1323110330 /nfs/dbraw/zinc/11/03/30/1323110330.db2.gz LDDIOLGRHLADKP-FUHIMQAGSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924756123 1323146920 /nfs/dbraw/zinc/14/69/20/1323146920.db2.gz LBYYWNPXCXQNBC-LPHOPBHVSA-N 2 0 344.474 3.389 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000924782328 1323161010 /nfs/dbraw/zinc/16/10/10/1323161010.db2.gz MVVWDWFUOXFRPT-HNNXBMFYSA-N 2 0 329.444 3.246 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1(Cl)CC1 ZINC000924796855 1323166056 /nfs/dbraw/zinc/16/60/56/1323166056.db2.gz FEKPVWSCIURCID-KRWDZBQOSA-N 2 0 335.923 3.338 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1csc2ccccc12 ZINC000924947784 1323224182 /nfs/dbraw/zinc/22/41/82/1323224182.db2.gz AWUUGPQMENXTIY-JKSUJKDBSA-N 2 0 331.529 3.435 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024469567 1323425044 /nfs/dbraw/zinc/42/50/44/1323425044.db2.gz SZGMWHMGWTZBSB-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024513426 1323463892 /nfs/dbraw/zinc/46/38/92/1323463892.db2.gz PTCCGYKDCCDACS-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001024529974 1323476049 /nfs/dbraw/zinc/47/60/49/1323476049.db2.gz BCIANQZWWFPKLX-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530016 1323476151 /nfs/dbraw/zinc/47/61/51/1323476151.db2.gz BLXRYFBRJWSCAW-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCCC2CCC2)CC[N@@H+]1C ZINC001024620487 1323548668 /nfs/dbraw/zinc/54/86/68/1323548668.db2.gz WCDDFNAKJVTFGG-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCCC2)CC1 ZINC001024634758 1323560650 /nfs/dbraw/zinc/56/06/50/1323560650.db2.gz XQGXLSVRIADNIP-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024961971 1323801786 /nfs/dbraw/zinc/80/17/86/1323801786.db2.gz GAGBDYWCMVGCFH-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(N1CCCC[C@H]1C[NH2+]CC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001024999464 1323817973 /nfs/dbraw/zinc/81/79/73/1323817973.db2.gz WMLBZXASGOPLHC-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1)[NH+]1CCCC1 ZINC001025037729 1323840037 /nfs/dbraw/zinc/84/00/37/1323840037.db2.gz MSECVJFZUQQQFX-QGZVFWFLSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001025058609 1323861241 /nfs/dbraw/zinc/86/12/41/1323861241.db2.gz SDAVCRPFYYPCEA-YSIASYRMSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001025086762 1323886142 /nfs/dbraw/zinc/88/61/42/1323886142.db2.gz DEJQJDOXZSEWPX-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025168761 1323937526 /nfs/dbraw/zinc/93/75/26/1323937526.db2.gz UQWGBJZJUDYKNZ-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239861 1324033134 /nfs/dbraw/zinc/03/31/34/1324033134.db2.gz JQEQHJBEIAXMEO-OALUTQOASA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273925 1324090156 /nfs/dbraw/zinc/09/01/56/1324090156.db2.gz IEWLJGIQIILSFS-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001026558534 1324895885 /nfs/dbraw/zinc/89/58/85/1324895885.db2.gz NAAJSJBWHQIMRI-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC1(C)CCC(C[NH2+]C2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001026606812 1324927668 /nfs/dbraw/zinc/92/76/68/1324927668.db2.gz WEGHDODKIAXZQU-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133654 1325058969 /nfs/dbraw/zinc/05/89/69/1325058969.db2.gz QAYVFMQVURWPFP-VGOFRKELSA-N 2 0 349.478 3.456 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925213684 1325081956 /nfs/dbraw/zinc/08/19/56/1325081956.db2.gz BJVOOHWTBKGBMN-OAHLLOKOSA-N 2 0 329.488 3.418 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(-c2ccccc2)no1 ZINC000925216186 1325083780 /nfs/dbraw/zinc/08/37/80/1325083780.db2.gz RMXQLQCUJJGLRB-MRXNPFEDSA-N 2 0 342.487 3.018 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000925231014 1325088814 /nfs/dbraw/zinc/08/88/14/1325088814.db2.gz ALEKHZYPNYJYDM-SFHVURJKSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001026988506 1325127266 /nfs/dbraw/zinc/12/72/66/1325127266.db2.gz IAVPTEWZRBQHAT-QZTJIDSGSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000925417023 1325145946 /nfs/dbraw/zinc/14/59/46/1325145946.db2.gz KAHAQKGCYREINE-IBGZPJMESA-N 2 0 340.458 3.272 20 0 EGADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)[NH2+]2 ZINC000925471681 1325165381 /nfs/dbraw/zinc/16/53/81/1325165381.db2.gz DFOYTBDKVGNMCI-DYLQCGAMSA-N 2 0 349.469 3.048 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)c2)c1 ZINC000925494223 1325176691 /nfs/dbraw/zinc/17/66/91/1325176691.db2.gz JGJSAVRMMQZPKA-LEWJYISDSA-N 2 0 338.499 3.189 20 0 EGADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)Oc1ccccc1C ZINC000925498485 1325178392 /nfs/dbraw/zinc/17/83/92/1325178392.db2.gz GUKBFRFWJHUMLJ-NXEWRWPSSA-N 2 0 346.515 3.384 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000963380817 1325182619 /nfs/dbraw/zinc/18/26/19/1325182619.db2.gz XFPUDOCUYXRXDZ-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)cc2)c1 ZINC000925515567 1325185351 /nfs/dbraw/zinc/18/53/51/1325185351.db2.gz FSMKHKXMSAQXQV-RTWAWAEBSA-N 2 0 338.499 3.189 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000925538025 1325197759 /nfs/dbraw/zinc/19/77/59/1325197759.db2.gz QAIONLCZHJCVBO-FFMGESDNSA-N 2 0 342.409 3.008 20 0 EGADRP C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925565212 1325212277 /nfs/dbraw/zinc/21/22/77/1325212277.db2.gz YKLRJCZIJITNET-LPHOPBHVSA-N 2 0 332.488 3.127 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1-n1ccnc1 ZINC000925566770 1325213813 /nfs/dbraw/zinc/21/38/13/1325213813.db2.gz GCTDKVGOMSSTJP-IEBWSBKVSA-N 2 0 342.462 3.269 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000925610599 1325229591 /nfs/dbraw/zinc/22/95/91/1325229591.db2.gz HVZXMMJDPOOEQR-OALUTQOASA-N 2 0 327.472 3.486 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426455 1325234064 /nfs/dbraw/zinc/23/40/64/1325234064.db2.gz AXDHYZPRSBZACP-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925622358 1325235122 /nfs/dbraw/zinc/23/51/22/1325235122.db2.gz KOMBJMTWCZQAJG-LJQANCHMSA-N 2 0 327.472 3.142 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(c3ccc(Cl)c(F)c3)C1)[NH2+]2 ZINC000925625588 1325236614 /nfs/dbraw/zinc/23/66/14/1325236614.db2.gz GTSIRRPKFURAFA-KIHUKQFUSA-N 2 0 337.870 3.176 20 0 EGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925629537 1325237856 /nfs/dbraw/zinc/23/78/56/1325237856.db2.gz NYBTXSRZBOIYDD-LJQANCHMSA-N 2 0 346.496 3.050 20 0 EGADRP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CC[NH2+]C34CCCC4)C2)CC1 ZINC000925664256 1325255038 /nfs/dbraw/zinc/25/50/38/1325255038.db2.gz XIAAVGZTKYALEG-UYSNPLJNSA-N 2 0 345.453 3.056 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925676984 1325259189 /nfs/dbraw/zinc/25/91/89/1325259189.db2.gz RDBOXTVLKYRSNZ-YVWKXTFCSA-N 2 0 345.506 3.410 20 0 EGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000925817894 1325314691 /nfs/dbraw/zinc/31/46/91/1325314691.db2.gz XDNNVIJDJJOHOV-QFBILLFUSA-N 2 0 335.923 3.064 20 0 EGADRP CCSc1ccccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925829689 1325320579 /nfs/dbraw/zinc/32/05/79/1325320579.db2.gz ATVXRBUWHKIITD-OKZBNKHCSA-N 2 0 334.529 3.088 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)O1 ZINC000925833413 1325321519 /nfs/dbraw/zinc/32/15/19/1325321519.db2.gz ISSSWBFWIMXXJN-UGUYLWEFSA-N 2 0 334.426 3.244 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963786940 1325400116 /nfs/dbraw/zinc/40/01/16/1325400116.db2.gz COXKJPBXQXSELN-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000963861495 1325414701 /nfs/dbraw/zinc/41/47/01/1325414701.db2.gz WAEKVAVNMRFQFH-UHFFFAOYSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCO1 ZINC000926110520 1325432482 /nfs/dbraw/zinc/43/24/82/1325432482.db2.gz WVFRZSCBHGYRSZ-DZJYIKFMSA-N 2 0 338.536 3.202 20 0 EGADRP C[C@H]1[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000926311452 1325512053 /nfs/dbraw/zinc/51/20/53/1325512053.db2.gz YKHWDHAHJUBDRK-LAUBAEHRSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926328374 1325518598 /nfs/dbraw/zinc/51/85/98/1325518598.db2.gz JEBHVFLEPIPPSI-LSDHHAIUSA-N 2 0 335.492 3.312 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424162 1325549056 /nfs/dbraw/zinc/54/90/56/1325549056.db2.gz MNLZDOXQOZYLEV-BRWVUGGUSA-N 2 0 342.405 3.345 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857143995 1325580276 /nfs/dbraw/zinc/58/02/76/1325580276.db2.gz CVAXVNPHOZHAOX-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000926523078 1325587492 /nfs/dbraw/zinc/58/74/92/1325587492.db2.gz ZRLXABDLJGXGFV-HNNXBMFYSA-N 2 0 346.496 3.003 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCC3CCCC3)C2)CC[N@@H+]1C ZINC001027417606 1327643653 /nfs/dbraw/zinc/64/36/53/1327643653.db2.gz DDASRRJXHUZIMD-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027442151 1327683148 /nfs/dbraw/zinc/68/31/48/1327683148.db2.gz BQJUZBAGOHJFTL-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449049 1327689921 /nfs/dbraw/zinc/68/99/21/1327689921.db2.gz PXOVKTGPBKQGOI-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1)[NH+](C)C ZINC001027459836 1327703267 /nfs/dbraw/zinc/70/32/67/1327703267.db2.gz CUPNIOBJBPXTBK-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000926791613 1327719538 /nfs/dbraw/zinc/71/95/38/1327719538.db2.gz SAVBGUZNCNJCLI-KRWDZBQOSA-N 2 0 341.503 3.428 20 0 EGADRP C[N@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466841 1327719649 /nfs/dbraw/zinc/71/96/49/1327719649.db2.gz YHHBGJKXGBXBCE-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518990 1327789615 /nfs/dbraw/zinc/78/96/15/1327789615.db2.gz CJWLFBHORAOAFM-QGZVFWFLSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1-n1ccnn1 ZINC000927038436 1327826544 /nfs/dbraw/zinc/82/65/44/1327826544.db2.gz QYBWNNMZUXQFRP-VXESANQCSA-N 2 0 339.487 3.325 20 0 EGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000927040688 1327827618 /nfs/dbraw/zinc/82/76/18/1327827618.db2.gz ZRGIECHFBQBMQE-YQHFOJDRSA-N 2 0 343.515 3.446 20 0 EGADRP CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001027555053 1327862984 /nfs/dbraw/zinc/86/29/84/1327862984.db2.gz BYUNAGAHQYHMKB-AFMYVXGZSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680547 1328079333 /nfs/dbraw/zinc/07/93/33/1328079333.db2.gz HFZZULYSUZIEKY-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884488 1328351302 /nfs/dbraw/zinc/35/13/02/1328351302.db2.gz ADPDNEFXNKWUBJ-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885219 1328352733 /nfs/dbraw/zinc/35/27/33/1328352733.db2.gz BNMDCHOKDBSDDD-UYAOXDASSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885717 1328353273 /nfs/dbraw/zinc/35/32/73/1328353273.db2.gz IQILISKMKJVGIY-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027971832 1328444450 /nfs/dbraw/zinc/44/44/50/1328444450.db2.gz MWTNCVBQYJPKHP-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982638 1328455368 /nfs/dbraw/zinc/45/53/68/1328455368.db2.gz SRSDOWQXALPSHX-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986567 1328458210 /nfs/dbraw/zinc/45/82/10/1328458210.db2.gz YNQHLQQNCZQKJC-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001028002776 1328465320 /nfs/dbraw/zinc/46/53/20/1328465320.db2.gz IIUGFMNZXKKVOU-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001028003052 1328465549 /nfs/dbraw/zinc/46/55/49/1328465549.db2.gz KTGYKEKXWWVRBD-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c(Cl)cncc2Cl)C[C@H](C)O1 ZINC000865470856 1329701853 /nfs/dbraw/zinc/70/18/53/1329701853.db2.gz HVSYDZNGAIGBAZ-BETUJISGSA-N 2 0 346.302 3.367 20 0 EGADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865600365 1329718316 /nfs/dbraw/zinc/71/83/16/1329718316.db2.gz KYSFFVXTEHELSF-AWEZNQCLSA-N 2 0 348.441 3.187 20 0 EGADRP CCc1nn(C)c(Cl)c1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717273 1329732130 /nfs/dbraw/zinc/73/21/30/1329732130.db2.gz VMYWWEKBQBMDKU-UHFFFAOYSA-N 2 0 326.916 3.236 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1cccs1 ZINC000933458283 1329890924 /nfs/dbraw/zinc/89/09/24/1329890924.db2.gz ZLOJDMPLKWFUTK-YOEHRIQHSA-N 2 0 337.533 3.025 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000866590112 1330130192 /nfs/dbraw/zinc/13/01/92/1330130192.db2.gz MNGNPFCHEBDUTD-FGZHOGPDSA-N 2 0 341.543 3.209 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747376 1331178231 /nfs/dbraw/zinc/17/82/31/1331178231.db2.gz IVCQFCDVVVXUJF-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902443 1332928747 /nfs/dbraw/zinc/92/87/47/1332928747.db2.gz PRWWZOJJRPXXRW-WTGUMLROSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947492758 1333145761 /nfs/dbraw/zinc/14/57/61/1333145761.db2.gz NGZKIMWBIIZVRK-SJLPKXTDSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1=CCCCC1 ZINC000947493213 1333145787 /nfs/dbraw/zinc/14/57/87/1333145787.db2.gz QNAOVXSSFZLMLE-HKUYNNGSSA-N 2 0 345.531 3.084 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC000947615264 1333193200 /nfs/dbraw/zinc/19/32/00/1333193200.db2.gz GZNZSMDEYIUHKO-IEBWSBKVSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723846 1333241370 /nfs/dbraw/zinc/24/13/70/1333241370.db2.gz YVSKAKPCVSRTPE-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC1CCCC1 ZINC000947726603 1333241793 /nfs/dbraw/zinc/24/17/93/1333241793.db2.gz RFHFKBZQBXYMBH-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCC1 ZINC000947776645 1333258772 /nfs/dbraw/zinc/25/87/72/1333258772.db2.gz XSYGYETYOMVHJN-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCC1CC1 ZINC000948056112 1333357454 /nfs/dbraw/zinc/35/74/54/1333357454.db2.gz HHHRRQWCSJNTGA-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948064293 1333360456 /nfs/dbraw/zinc/36/04/56/1333360456.db2.gz AKCANKFOHJXPLZ-PKOBYXMFSA-N 2 0 345.531 3.377 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948416308 1333516734 /nfs/dbraw/zinc/51/67/34/1333516734.db2.gz CMGOCOWPWXKNSI-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000948553912 1333572149 /nfs/dbraw/zinc/57/21/49/1333572149.db2.gz OGDNUUCSIBAONY-ROUUACIJSA-N 2 0 349.544 3.045 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948553823 1333572284 /nfs/dbraw/zinc/57/22/84/1333572284.db2.gz LWLMYVYEYQLPPD-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593428 1333587999 /nfs/dbraw/zinc/58/79/99/1333587999.db2.gz DUMNXSJKBSGHOI-DOTOQJQBSA-N 2 0 346.450 3.009 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC000948717025 1333644686 /nfs/dbraw/zinc/64/46/86/1333644686.db2.gz KEGMOSASMWAEMN-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948725620 1333648257 /nfs/dbraw/zinc/64/82/57/1333648257.db2.gz CIHPQZFUKUOTBK-GOSISDBHSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000948739081 1333653699 /nfs/dbraw/zinc/65/36/99/1333653699.db2.gz XYCRHQDOYKWNOD-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC000948778696 1333675834 /nfs/dbraw/zinc/67/58/34/1333675834.db2.gz BLXVPPVPNXELPL-UYAOXDASSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC000948829472 1333701293 /nfs/dbraw/zinc/70/12/93/1333701293.db2.gz NOXZSOAQHXBEPN-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948828966 1333701367 /nfs/dbraw/zinc/70/13/67/1333701367.db2.gz ALDWKLAYLRZKIS-OALUTQOASA-N 2 0 337.552 3.364 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000948853759 1333709913 /nfs/dbraw/zinc/70/99/13/1333709913.db2.gz AAUKGRJTHZYOHQ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000950708062 1334119308 /nfs/dbraw/zinc/11/93/08/1334119308.db2.gz KASGTRFDCQSHLM-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](CCC2CCCCC2)C1 ZINC000950728269 1334123406 /nfs/dbraw/zinc/12/34/06/1334123406.db2.gz ZORNZPJOFSLHID-UHFFFAOYSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968882514 1336078941 /nfs/dbraw/zinc/07/89/41/1336078941.db2.gz PFZHEXYQXCTQSV-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887870 1336080932 /nfs/dbraw/zinc/08/09/32/1336080932.db2.gz OBBBDJQKZDGTNE-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC000968904025 1336085003 /nfs/dbraw/zinc/08/50/03/1336085003.db2.gz GUHFGAQYSFOMMO-QZTJIDSGSA-N 2 0 343.515 3.039 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1cccc(Cl)c1 ZINC000968904530 1336085474 /nfs/dbraw/zinc/08/54/74/1336085474.db2.gz SYULHFKKXIZCED-WMLDXEAASA-N 2 0 349.906 3.076 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936197 1336095990 /nfs/dbraw/zinc/09/59/90/1336095990.db2.gz CYJGBRDSDVMWCQ-NVXWUHKLSA-N 2 0 346.450 3.057 20 0 EGADRP O=C(NC[C@@H]1CCCCC[N@H+]1C/C=C\Cl)c1ccn2c[nH+]cc2c1 ZINC000968936595 1336096624 /nfs/dbraw/zinc/09/66/24/1336096624.db2.gz LWQKPCKNHYWKLA-OUOZUETKSA-N 2 0 346.862 3.061 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC000968989301 1336111791 /nfs/dbraw/zinc/11/17/91/1336111791.db2.gz HSXAXSRPPDJOLQ-NSHGMRRFSA-N 2 0 345.531 3.141 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000969108546 1336146828 /nfs/dbraw/zinc/14/68/28/1336146828.db2.gz FLUCTZNGZSEZEY-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000969152173 1336163928 /nfs/dbraw/zinc/16/39/28/1336163928.db2.gz FJEBYESJVOLALA-QGZVFWFLSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC000969155862 1336165111 /nfs/dbraw/zinc/16/51/11/1336165111.db2.gz DOYKXXRMSNGGDT-SFHVURJKSA-N 2 0 349.494 3.082 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC000969563287 1336224196 /nfs/dbraw/zinc/22/41/96/1336224196.db2.gz BGEQXCFPOXKDOM-PKOBYXMFSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969657242 1336233760 /nfs/dbraw/zinc/23/37/60/1336233760.db2.gz AQXWSPWTHLCGTQ-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326291 1336294694 /nfs/dbraw/zinc/29/46/94/1336294694.db2.gz PNGIUSJYSSJMDP-YLJYHZDGSA-N 2 0 347.547 3.186 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)cc1Cl ZINC001205579225 1370798575 /nfs/dbraw/zinc/79/85/75/1370798575.db2.gz LGJHRWLLTSZMAA-INIZCTEOSA-N 2 0 330.831 3.010 20 0 EGADRP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005581272 1336375111 /nfs/dbraw/zinc/37/51/11/1336375111.db2.gz KIPIQUPCRTVWKW-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001005991523 1336435627 /nfs/dbraw/zinc/43/56/27/1336435627.db2.gz NWENJPIEDPVQFN-ROUUACIJSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006435354 1336505448 /nfs/dbraw/zinc/50/54/48/1336505448.db2.gz NWKXNLMWRVSFNC-KRWDZBQOSA-N 2 0 345.531 3.331 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006442561 1336507141 /nfs/dbraw/zinc/50/71/41/1336507141.db2.gz JFOLIKAVXFWOIB-HXUWFJFHSA-N 2 0 347.547 3.284 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCCC2CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007619471 1336678979 /nfs/dbraw/zinc/67/89/79/1336678979.db2.gz NHJBYHOURWRWOG-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001007649656 1336684021 /nfs/dbraw/zinc/68/40/21/1336684021.db2.gz WMPMHPFBKBRVEY-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007749086 1336694360 /nfs/dbraw/zinc/69/43/60/1336694360.db2.gz UPAOFTMOXIVVLT-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(Br)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206004394 1370935480 /nfs/dbraw/zinc/93/54/80/1370935480.db2.gz SAQFUASXUZSNSE-AAEUAGOBSA-N 2 0 329.257 3.395 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001008161853 1336782333 /nfs/dbraw/zinc/78/23/33/1336782333.db2.gz IHGWQVGVZFHSKX-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCC1 ZINC001008166036 1336783172 /nfs/dbraw/zinc/78/31/72/1336783172.db2.gz YBNSNDIZBCJRSR-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001008278262 1336812604 /nfs/dbraw/zinc/81/26/04/1336812604.db2.gz WUQGCAWSGDKCCQ-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008299046 1336817902 /nfs/dbraw/zinc/81/79/02/1336817902.db2.gz MDQVYZZVRACFBX-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008553600 1336880244 /nfs/dbraw/zinc/88/02/44/1336880244.db2.gz VMMHPRHUDGJJFE-PKOBYXMFSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001008771714 1336924039 /nfs/dbraw/zinc/92/40/39/1336924039.db2.gz UZOXAWVJQKMMCK-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001008974561 1336951499 /nfs/dbraw/zinc/95/14/99/1336951499.db2.gz MWNOVSBRAXIKCF-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)C)C1 ZINC001009167888 1336979933 /nfs/dbraw/zinc/97/99/33/1336979933.db2.gz JYRBUOXZDMFEGP-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001009633999 1337050612 /nfs/dbraw/zinc/05/06/12/1337050612.db2.gz IAUFVXVOMRIVHR-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)C2)o1 ZINC001009682407 1337059569 /nfs/dbraw/zinc/05/95/69/1337059569.db2.gz NNOOPMFWNPBBEM-KRWDZBQOSA-N 2 0 347.503 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014627393 1337852432 /nfs/dbraw/zinc/85/24/32/1337852432.db2.gz HAWXIUZBPXLAJS-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015056102 1338004029 /nfs/dbraw/zinc/00/40/29/1338004029.db2.gz GOURKUSYQLKSHS-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015056674 1338004659 /nfs/dbraw/zinc/00/46/59/1338004659.db2.gz HRKKGUGPEPPVNG-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015386418 1338119611 /nfs/dbraw/zinc/11/96/11/1338119611.db2.gz HJZKFYNJQWKQDB-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)C2)cc1 ZINC001015858354 1338335607 /nfs/dbraw/zinc/33/56/07/1338335607.db2.gz ODFGGCULDSHXHT-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001016339913 1338555767 /nfs/dbraw/zinc/55/57/67/1338555767.db2.gz SFXFAZQTTUYLJE-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCC(C)C)CC3)C1 ZINC001016788806 1338728097 /nfs/dbraw/zinc/72/80/97/1338728097.db2.gz DOLJBSWZMMENAR-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016922453 1338770634 /nfs/dbraw/zinc/77/06/34/1338770634.db2.gz CVVGZMHLKRYULV-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017142646 1338894716 /nfs/dbraw/zinc/89/47/16/1338894716.db2.gz QDVFWEORRJRUGH-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)C(C)C)C1 ZINC001017247232 1338977763 /nfs/dbraw/zinc/97/77/63/1338977763.db2.gz VFGDPMZINRFVDO-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP Cc1nc[nH]c1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001017254313 1338984597 /nfs/dbraw/zinc/98/45/97/1338984597.db2.gz QTUMJIBOIQTXKQ-SFHVURJKSA-N 2 0 346.519 3.011 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051367 1339490532 /nfs/dbraw/zinc/49/05/32/1339490532.db2.gz GAIQFBNDGNIUGS-YRXWBPOGSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028092673 1340420306 /nfs/dbraw/zinc/42/03/06/1340420306.db2.gz BMXVGOISHBWQCN-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028092674 1340420344 /nfs/dbraw/zinc/42/03/44/1340420344.db2.gz BMXVGOISHBWQCN-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001028181016 1340470801 /nfs/dbraw/zinc/47/08/01/1340470801.db2.gz LVUQHUTWTIVAMX-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001028552920 1340697963 /nfs/dbraw/zinc/69/79/63/1340697963.db2.gz VXWGULWAJGYPOX-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028579544 1340712759 /nfs/dbraw/zinc/71/27/59/1340712759.db2.gz GVJXYJVDILSPQK-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001028635810 1340737952 /nfs/dbraw/zinc/73/79/52/1340737952.db2.gz GUGOVUJLHSHIJX-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028647699 1340741809 /nfs/dbraw/zinc/74/18/09/1340741809.db2.gz MBXXZAWKUGPVDJ-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028646804 1340742314 /nfs/dbraw/zinc/74/23/14/1340742314.db2.gz AUNBHFAGRJKYNG-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@@H]1CC[N@H+](CC2CCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028756056 1340791393 /nfs/dbraw/zinc/79/13/93/1340791393.db2.gz ZTDYNBQMGVHABO-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001028755570 1340791774 /nfs/dbraw/zinc/79/17/74/1340791774.db2.gz RZWDPELUZFCIGJ-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029306040 1340969806 /nfs/dbraw/zinc/96/98/06/1340969806.db2.gz FFLMWPLKGYKHJG-HSALFYBXSA-N 2 0 345.531 3.035 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029339428 1340974125 /nfs/dbraw/zinc/97/41/25/1340974125.db2.gz XFDIBOFYGQULAK-GBESFXJTSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+]1CCCC1 ZINC001029420117 1340986272 /nfs/dbraw/zinc/98/62/72/1340986272.db2.gz WTYKFSDFJQZFMD-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001029767609 1341066538 /nfs/dbraw/zinc/06/65/38/1341066538.db2.gz VVFNBEQFYUZIGR-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001029910451 1341113582 /nfs/dbraw/zinc/11/35/82/1341113582.db2.gz LUFABTAKDVXSSD-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029910626 1341113805 /nfs/dbraw/zinc/11/38/05/1341113805.db2.gz STHLVVAOQLRHSY-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001029973449 1341139977 /nfs/dbraw/zinc/13/99/77/1341139977.db2.gz BWZQXEYONUOUMG-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001031707000 1341391870 /nfs/dbraw/zinc/39/18/70/1341391870.db2.gz PGOBOOBJVDQLSZ-UHFFFAOYSA-N 2 0 349.544 3.052 20 0 EGADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)[NH+]1CCCC1 ZINC001032557837 1341539491 /nfs/dbraw/zinc/53/94/91/1341539491.db2.gz SWUZYOBXRPCSCN-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001032664698 1341576117 /nfs/dbraw/zinc/57/61/17/1341576117.db2.gz OCSCHVZPYKHBIT-IHPCNDPISA-N 2 0 345.531 3.036 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033126394 1341733884 /nfs/dbraw/zinc/73/38/84/1341733884.db2.gz MPFKEOXISOXBJC-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033231056 1341755605 /nfs/dbraw/zinc/75/56/05/1341755605.db2.gz ZVIUWWODQYNZSR-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033354044 1341793966 /nfs/dbraw/zinc/79/39/66/1341793966.db2.gz LXYMZRIRXXODQZ-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001033358281 1341795411 /nfs/dbraw/zinc/79/54/11/1341795411.db2.gz KHRTXYSYWHGKFO-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033416996 1341820813 /nfs/dbraw/zinc/82/08/13/1341820813.db2.gz SYWXBKCTLQKCSN-IEBWSBKVSA-N 2 0 343.515 3.012 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033427030 1341822177 /nfs/dbraw/zinc/82/21/77/1341822177.db2.gz XDEVHNNUTVNXEW-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001033466275 1341837181 /nfs/dbraw/zinc/83/71/81/1341837181.db2.gz CVHNESUQDLBTEO-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C)CC[N@@H+]1C ZINC001074661840 1356221790 /nfs/dbraw/zinc/22/17/90/1356221790.db2.gz NWULNSVZNVDERW-JFRXWTBNSA-N 2 0 349.563 3.122 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033825144 1342026095 /nfs/dbraw/zinc/02/60/95/1342026095.db2.gz AQOSHLBKFWAMIR-ROUUACIJSA-N 2 0 349.544 3.044 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001033834432 1342034174 /nfs/dbraw/zinc/03/41/74/1342034174.db2.gz GGBDKVMUFVMZBG-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001033835398 1342034457 /nfs/dbraw/zinc/03/44/57/1342034457.db2.gz PGKPXLOOHRVEAC-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033935758 1342098572 /nfs/dbraw/zinc/09/85/72/1342098572.db2.gz ICIFYNJLUMRFSY-BZSNNMDCSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075459152 1356392455 /nfs/dbraw/zinc/39/24/55/1356392455.db2.gz ZUZJZYNLWAZHRP-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCCC2)C1 ZINC001034130535 1342259966 /nfs/dbraw/zinc/25/99/66/1342259966.db2.gz IGEHBUXFIGDXFR-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034203610 1342313575 /nfs/dbraw/zinc/31/35/75/1342313575.db2.gz FUUPVPOYTQXQHC-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034204305 1342314803 /nfs/dbraw/zinc/31/48/03/1342314803.db2.gz LQHGXCYWERFAMU-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034271517 1342361890 /nfs/dbraw/zinc/36/18/90/1342361890.db2.gz OITRPVWWMQBUTP-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290063 1342376350 /nfs/dbraw/zinc/37/63/50/1342376350.db2.gz DMRBXXVTCRTVJE-SFHVURJKSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331148 1342406125 /nfs/dbraw/zinc/40/61/25/1342406125.db2.gz RYDRCRYSQKJKMT-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034394296 1342462764 /nfs/dbraw/zinc/46/27/64/1342462764.db2.gz KVXRQTUIVWLHTL-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034397751 1342464457 /nfs/dbraw/zinc/46/44/57/1342464457.db2.gz LEBPRZBGKVVDIC-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034397204 1342464705 /nfs/dbraw/zinc/46/47/05/1342464705.db2.gz JJCJFDHWHMIJHA-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034398128 1342465520 /nfs/dbraw/zinc/46/55/20/1342465520.db2.gz MHRLDBJLCCLXDW-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034436717 1342499478 /nfs/dbraw/zinc/49/94/78/1342499478.db2.gz BIDAUIVKDILVGI-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034612565 1342647879 /nfs/dbraw/zinc/64/78/79/1342647879.db2.gz SXQJYQXSAGXMAX-CGBFIWBNSA-N 2 0 343.515 3.167 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034738651 1342730134 /nfs/dbraw/zinc/73/01/34/1342730134.db2.gz VIBUBVZTSYIKDW-LEAZDLGRSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001034792200 1342761318 /nfs/dbraw/zinc/76/13/18/1342761318.db2.gz ALIYYGRHIQUFTR-IHPCNDPISA-N 2 0 343.515 3.169 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001034938845 1342844840 /nfs/dbraw/zinc/84/48/40/1342844840.db2.gz TZKXXZUKCCSRCZ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034958787 1342853309 /nfs/dbraw/zinc/85/33/09/1342853309.db2.gz LZRHODAFDCDKGM-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034959438 1342853501 /nfs/dbraw/zinc/85/35/01/1342853501.db2.gz YTMXPKNVLMUECL-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034979451 1342863057 /nfs/dbraw/zinc/86/30/57/1342863057.db2.gz RZBQHVOVYKIWNF-GOSISDBHSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001034982764 1342864121 /nfs/dbraw/zinc/86/41/21/1342864121.db2.gz PFZHPHUHIRWJJX-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035001970 1342870079 /nfs/dbraw/zinc/87/00/79/1342870079.db2.gz HUVIKNRPINTRRI-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001035038518 1342891868 /nfs/dbraw/zinc/89/18/68/1342891868.db2.gz JYFPERIYPCNLOD-ATZDWAIDSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC001035134536 1342950038 /nfs/dbraw/zinc/95/00/38/1342950038.db2.gz JZXFUBXKFRCPCI-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035184556 1342998617 /nfs/dbraw/zinc/99/86/17/1342998617.db2.gz MIILZBXRPPPXQQ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035192965 1343006830 /nfs/dbraw/zinc/00/68/30/1343006830.db2.gz RURKZDYSKMBRGI-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035725574 1343154283 /nfs/dbraw/zinc/15/42/83/1343154283.db2.gz ZFPNEANDTZKYOL-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001036181453 1343350601 /nfs/dbraw/zinc/35/06/01/1343350601.db2.gz WUJLAPSSIJUUHE-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036202779 1343361039 /nfs/dbraw/zinc/36/10/39/1343361039.db2.gz KJJIIIYDJGIBSX-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717092 1343649032 /nfs/dbraw/zinc/64/90/32/1343649032.db2.gz PRRIFKYQVLGTJZ-OALUTQOASA-N 2 0 347.547 3.140 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC(C)(C)C)C2)CC1 ZINC001036836873 1343776447 /nfs/dbraw/zinc/77/64/47/1343776447.db2.gz YVJAMSARZQXRCJ-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001037009639 1343926805 /nfs/dbraw/zinc/92/68/05/1343926805.db2.gz OCXMPQXFYXHTSH-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037854708 1344140834 /nfs/dbraw/zinc/14/08/34/1344140834.db2.gz MEXQVWLJUJMPOK-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037964358 1344208020 /nfs/dbraw/zinc/20/80/20/1344208020.db2.gz STFJYCXAPVENFN-QUCCMNQESA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038238172 1344338029 /nfs/dbraw/zinc/33/80/29/1344338029.db2.gz GELFNAXEQKLXSB-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038320199 1344378989 /nfs/dbraw/zinc/37/89/89/1344378989.db2.gz HGXYLUYJENJQSG-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCC2)ccc2c[nH+]cn21 ZINC001038431027 1344425308 /nfs/dbraw/zinc/42/53/08/1344425308.db2.gz GLCDAJHMSJEGCB-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCCC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001038462186 1344434718 /nfs/dbraw/zinc/43/47/18/1344434718.db2.gz KPPIMHFIKYTFFD-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038777853 1344580930 /nfs/dbraw/zinc/58/09/30/1344580930.db2.gz CTDQFCXZEFIOAH-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001038783394 1344581970 /nfs/dbraw/zinc/58/19/70/1344581970.db2.gz WYWIGMLYWJMFDM-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001039047262 1344733092 /nfs/dbraw/zinc/73/30/92/1344733092.db2.gz CMESKBRBMWUFGE-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140519 1344820539 /nfs/dbraw/zinc/82/05/39/1344820539.db2.gz GPJQCACLWQJMCM-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205095 1344916078 /nfs/dbraw/zinc/91/60/78/1344916078.db2.gz KHMBJYTYVOJOHA-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001039232126 1344952056 /nfs/dbraw/zinc/95/20/56/1344952056.db2.gz SZSSIOTVZJTPGJ-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234373 1344955137 /nfs/dbraw/zinc/95/51/37/1344955137.db2.gz IZXSWCLUVOGIRJ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473981 1345088552 /nfs/dbraw/zinc/08/85/52/1345088552.db2.gz LJSDOXOOTQVJGJ-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC1 ZINC001039643778 1345152574 /nfs/dbraw/zinc/15/25/74/1345152574.db2.gz BBZYHHCEHNTXHH-AQNXPRMDSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001039920433 1345245539 /nfs/dbraw/zinc/24/55/39/1345245539.db2.gz XSDOOWJNUARDKJ-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(C)C ZINC001039969560 1345271370 /nfs/dbraw/zinc/27/13/70/1345271370.db2.gz MFUHKLKQKKINNO-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2)C1CCC1 ZINC001040240460 1345390520 /nfs/dbraw/zinc/39/05/20/1345390520.db2.gz GOJQOXXQLPSYHM-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430341 1345493213 /nfs/dbraw/zinc/49/32/13/1345493213.db2.gz AWWVHGCVVDTKBA-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543938 1345539066 /nfs/dbraw/zinc/53/90/66/1345539066.db2.gz RUBCSADKYLXMPP-PZJWPPBQSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001040744956 1345573122 /nfs/dbraw/zinc/57/31/22/1345573122.db2.gz FPBNOABKBDIBTA-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001040798484 1345578861 /nfs/dbraw/zinc/57/88/61/1345578861.db2.gz RLMDBGQSIYGPLN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040914222 1345599097 /nfs/dbraw/zinc/59/90/97/1345599097.db2.gz MGDMMMOCJRDUFA-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CCCCC3)C2)C1)[NH+](C)C ZINC001041404889 1345719403 /nfs/dbraw/zinc/71/94/03/1345719403.db2.gz XGTDEHRLASEWPW-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722863 1345831418 /nfs/dbraw/zinc/83/14/18/1345831418.db2.gz BSNBRJVVBYEAKD-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726442 1345833540 /nfs/dbraw/zinc/83/35/40/1345833540.db2.gz YLSHUBNMGJJAFF-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042373941 1346062410 /nfs/dbraw/zinc/06/24/10/1346062410.db2.gz FKWGRLDYYCDTTJ-WMZOPIPTSA-N 2 0 347.503 3.068 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]CC3CCC3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001044662196 1346395798 /nfs/dbraw/zinc/39/57/98/1346395798.db2.gz YEEMOYLCGSDHMZ-PBHICJAKSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044741609 1346418268 /nfs/dbraw/zinc/41/82/68/1346418268.db2.gz CBWYIJZCUWYVBC-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044878911 1346453099 /nfs/dbraw/zinc/45/30/99/1346453099.db2.gz OALFDOAGOAIKMI-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044882011 1346453729 /nfs/dbraw/zinc/45/37/29/1346453729.db2.gz WURCURCUQGXMQW-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001045070615 1346489636 /nfs/dbraw/zinc/48/96/36/1346489636.db2.gz NXEAXDOYSYQFPX-MJGOQNOKSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001045106532 1346495598 /nfs/dbraw/zinc/49/55/98/1346495598.db2.gz PFZHPHUHIRWJJX-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCC2)cs1 ZINC001045147540 1346506028 /nfs/dbraw/zinc/50/60/28/1346506028.db2.gz KCAXKXITVIMRID-KRWDZBQOSA-N 2 0 349.544 3.012 20 0 EGADRP CCCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001045204974 1346529580 /nfs/dbraw/zinc/52/95/80/1346529580.db2.gz AILBFSVTTASBGQ-PMACEKPBSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001045389853 1346580778 /nfs/dbraw/zinc/58/07/78/1346580778.db2.gz MAEXUKZXAHATQU-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001045444695 1346595011 /nfs/dbraw/zinc/59/50/11/1346595011.db2.gz UCTGDFNAJRGLSR-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045609181 1346646526 /nfs/dbraw/zinc/64/65/26/1346646526.db2.gz WGMVPXZKVQVNRG-UHFFFAOYSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045620511 1346650008 /nfs/dbraw/zinc/65/00/08/1346650008.db2.gz SOBUQOHZHXZRGS-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001045803151 1346702317 /nfs/dbraw/zinc/70/23/17/1346702317.db2.gz LCCBCFWHLIVYAD-HSALFYBXSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001045803485 1346702830 /nfs/dbraw/zinc/70/28/30/1346702830.db2.gz WFBRGEAMFPJQFP-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001045858531 1346723047 /nfs/dbraw/zinc/72/30/47/1346723047.db2.gz MZMVCNIILKFIGT-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938282 1346774469 /nfs/dbraw/zinc/77/44/69/1346774469.db2.gz WKFRVVOFYOOJPR-TZIWHRDSSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942971 1346778411 /nfs/dbraw/zinc/77/84/11/1346778411.db2.gz DKZWEOGACCOSAD-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001046315286 1346931069 /nfs/dbraw/zinc/93/10/69/1346931069.db2.gz JNGRPJYSCJRSRO-TZIWHRDSSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619000 1347040251 /nfs/dbraw/zinc/04/02/51/1347040251.db2.gz LMOSKCMGPWLXTA-DYESRHJHSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619003 1347040722 /nfs/dbraw/zinc/04/07/22/1347040722.db2.gz LMOSKCMGPWLXTA-UWJYYQICSA-N 2 0 345.531 3.031 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(C)C)C1 ZINC001132366243 1375332813 /nfs/dbraw/zinc/33/28/13/1375332813.db2.gz YYMRJQRTEGHZGE-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001046738989 1347077608 /nfs/dbraw/zinc/07/76/08/1347077608.db2.gz HBMRJOXPVQGCCK-NRFANRHFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001047258390 1347281082 /nfs/dbraw/zinc/28/10/82/1347281082.db2.gz YQZCYBZBYXWZFF-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001048510462 1347572762 /nfs/dbraw/zinc/57/27/62/1347572762.db2.gz MPURPWKAUDPKKE-IYWMVGAKSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527813 1347578402 /nfs/dbraw/zinc/57/84/02/1347578402.db2.gz WAHQSVPAGFFMHS-YRPNKDGESA-N 2 0 347.547 3.185 20 0 EGADRP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001048558727 1347592647 /nfs/dbraw/zinc/59/26/47/1347592647.db2.gz ZEJQCIWNCVAFHT-RNQOJCNYSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CC1 ZINC001049526174 1347891918 /nfs/dbraw/zinc/89/19/18/1347891918.db2.gz UAPATHNOBHXKJN-VAMGGRTRSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049534979 1347895785 /nfs/dbraw/zinc/89/57/85/1347895785.db2.gz XURMQOPRIRGFCA-QYZOEREBSA-N 2 0 349.563 3.074 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC ZINC001049835951 1348049426 /nfs/dbraw/zinc/04/94/26/1348049426.db2.gz MSIBQFPEDQAWNJ-IPMKNSEASA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919387 1348112511 /nfs/dbraw/zinc/11/25/11/1348112511.db2.gz OSNPHRQPCMTGGF-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001050265351 1348222963 /nfs/dbraw/zinc/22/29/63/1348222963.db2.gz MGNNTTIFQKTITP-OAHLLOKOSA-N 2 0 336.439 3.323 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050691513 1348328681 /nfs/dbraw/zinc/32/86/81/1348328681.db2.gz YADINHCXDLZSIK-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487532 1348554827 /nfs/dbraw/zinc/55/48/27/1348554827.db2.gz ZSIBNIIGYCNFAO-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052499485 1348560007 /nfs/dbraw/zinc/56/00/07/1348560007.db2.gz WDBJTSMVKXGAAI-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCCC2CCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052529914 1348567201 /nfs/dbraw/zinc/56/72/01/1348567201.db2.gz UWWHTDNTIWXQFW-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC3CCCC3)CC2)CC1 ZINC001052678079 1348626472 /nfs/dbraw/zinc/62/64/72/1348626472.db2.gz UAISWQHASPOCBH-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787962 1348679589 /nfs/dbraw/zinc/67/95/89/1348679589.db2.gz OJRWIGDWKIWELM-OALUTQOASA-N 2 0 349.494 3.081 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052859585 1348705480 /nfs/dbraw/zinc/70/54/80/1348705480.db2.gz MZNJHIHOFBXVKS-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052870975 1348711674 /nfs/dbraw/zinc/71/16/74/1348711674.db2.gz AFIREXIFMDBRNV-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956858 1348770785 /nfs/dbraw/zinc/77/07/85/1348770785.db2.gz AHZRAWRACYQOJH-SJLPKXTDSA-N 2 0 349.494 3.081 20 0 EGADRP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C[C@H](C)CC)CC1 ZINC001052990034 1348790226 /nfs/dbraw/zinc/79/02/26/1348790226.db2.gz IMZJVQQJOUTVIH-WZOHKFRQSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053741 1348859157 /nfs/dbraw/zinc/85/91/57/1348859157.db2.gz BUJIIKHMQXGPBD-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001054152950 1349156119 /nfs/dbraw/zinc/15/61/19/1349156119.db2.gz IVYVJWATMPWCKC-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054195723 1349198394 /nfs/dbraw/zinc/19/83/94/1349198394.db2.gz BUQYOTICGXXLHA-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054195722 1349198629 /nfs/dbraw/zinc/19/86/29/1349198629.db2.gz BUQYOTICGXXLHA-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054244243 1349237613 /nfs/dbraw/zinc/23/76/13/1349237613.db2.gz UASXJDFSFAKIBW-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCC(C)(C)C)C2 ZINC001054259406 1349255368 /nfs/dbraw/zinc/25/53/68/1349255368.db2.gz YKDFPLMXJKORTL-LJQANCHMSA-N 2 0 343.515 3.149 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)cc2C1 ZINC001054272003 1349272429 /nfs/dbraw/zinc/27/24/29/1349272429.db2.gz AKICXUXBFUTPSG-FQEVSTJZSA-N 2 0 343.515 3.149 20 0 EGADRP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054279497 1349281478 /nfs/dbraw/zinc/28/14/78/1349281478.db2.gz HYZVBGDHGOCUMB-INIZCTEOSA-N 2 0 343.515 3.006 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054284756 1349287122 /nfs/dbraw/zinc/28/71/22/1349287122.db2.gz GRYRTWDFYCIOTQ-HXUWFJFHSA-N 2 0 343.515 3.291 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001054296301 1349301530 /nfs/dbraw/zinc/30/15/30/1349301530.db2.gz RCAGFRCEUMNUHM-RLLQIKCJSA-N 2 0 345.531 3.223 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001054297551 1349301672 /nfs/dbraw/zinc/30/16/72/1349301672.db2.gz RDEHJBVOWAGAES-RLLQIKCJSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)c1ccccc1 ZINC001054298345 1349302172 /nfs/dbraw/zinc/30/21/72/1349302172.db2.gz VPGNLSGURWGKED-QYZOEREBSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554606 1357676579 /nfs/dbraw/zinc/67/65/79/1357676579.db2.gz XOUZEBJRFUJWRA-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001088359247 1359843099 /nfs/dbraw/zinc/84/30/99/1359843099.db2.gz VDUDZJBOGQYDKM-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1CCCCC1 ZINC001071871670 1354996796 /nfs/dbraw/zinc/99/67/96/1354996796.db2.gz JFWRNCLZCZNQSC-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CC1CCCCCC1 ZINC001071996261 1355065246 /nfs/dbraw/zinc/06/52/46/1355065246.db2.gz PRHKOZXPQVLDEL-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001074064639 1356061985 /nfs/dbraw/zinc/06/19/85/1356061985.db2.gz FTCVUXZGNYENEA-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074693486 1356224151 /nfs/dbraw/zinc/22/41/51/1356224151.db2.gz COPICRTYQZUPGM-WDSOQIARSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001074709410 1356227250 /nfs/dbraw/zinc/22/72/50/1356227250.db2.gz AZDKMKSZYDCKCN-WZGPROSRSA-N 2 0 331.504 3.057 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448160 1356380836 /nfs/dbraw/zinc/38/08/36/1356380836.db2.gz PKGOUZFUIGUOED-UYAOXDASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)CC1 ZINC001075452814 1356387303 /nfs/dbraw/zinc/38/73/03/1356387303.db2.gz QOYXPOBDSSYKKT-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106878 1363625780 /nfs/dbraw/zinc/62/57/80/1363625780.db2.gz QSSNPPRCCONNIH-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258283 1363718312 /nfs/dbraw/zinc/71/83/12/1363718312.db2.gz PLTXIFWIOSWCDQ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2)[NH+]1CCCCC1 ZINC001078625798 1357039583 /nfs/dbraw/zinc/03/95/83/1357039583.db2.gz GTEGJPDMQJKVKY-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2)[NH+]1CCCCC1 ZINC001078626690 1357040149 /nfs/dbraw/zinc/04/01/49/1357040149.db2.gz UCRHLCRHCZWGLH-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001082782386 1358092411 /nfs/dbraw/zinc/09/24/11/1358092411.db2.gz UTRXSMQEGKJIAQ-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082943719 1358107015 /nfs/dbraw/zinc/10/70/15/1358107015.db2.gz YOILOXPFGMXTPB-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCCC3CCC3)[C@H]2C1)[NH+](C)C ZINC001084964885 1358355480 /nfs/dbraw/zinc/35/54/80/1358355480.db2.gz WMCHCJZZHONXDV-AABGKKOBSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)CC[N@@H+]1C ZINC001085201855 1358432394 /nfs/dbraw/zinc/43/23/94/1358432394.db2.gz CLHQJEWWLPUIOH-VBSBHUPXSA-N 2 0 347.547 3.234 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001085260220 1358445794 /nfs/dbraw/zinc/44/57/94/1358445794.db2.gz BDDCRBIXENVAJM-WOJBJXKFSA-N 2 0 348.450 3.165 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085352534 1358476450 /nfs/dbraw/zinc/47/64/50/1358476450.db2.gz LGASUUZGAPORJD-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001183764949 1387345738 /nfs/dbraw/zinc/34/57/38/1387345738.db2.gz KLEPDGAFNNHUCW-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1CCCCCC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675422 1358679210 /nfs/dbraw/zinc/67/92/10/1358679210.db2.gz RZPNCGJRLVTHCG-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085778939 1358753403 /nfs/dbraw/zinc/75/34/03/1358753403.db2.gz KMINZHQYFMRBJR-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001183846240 1387358797 /nfs/dbraw/zinc/35/87/97/1387358797.db2.gz ZFYXCWNPVAMZTH-MRXNPFEDSA-N 2 0 328.460 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCC2)CC1 ZINC001085901667 1358859634 /nfs/dbraw/zinc/85/96/34/1358859634.db2.gz KIPUAHIKEFJCSS-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086084804 1358991966 /nfs/dbraw/zinc/99/19/66/1358991966.db2.gz GSGXMBDJKHNYJN-XEYPJELSSA-N 2 0 343.515 3.105 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001086118448 1359001283 /nfs/dbraw/zinc/00/12/83/1359001283.db2.gz AGLVOUGKYLIKEH-IYWMVGAKSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001086137081 1359005772 /nfs/dbraw/zinc/00/57/72/1359005772.db2.gz NEVYITMXKCYVGH-KDURUIRLSA-N 2 0 347.547 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086381829 1359083462 /nfs/dbraw/zinc/08/34/62/1359083462.db2.gz JXHZHDBFMZLBQL-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086387045 1359084761 /nfs/dbraw/zinc/08/47/61/1359084761.db2.gz PULQLBPZHBRGRR-VAMGGRTRSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086402178 1359088613 /nfs/dbraw/zinc/08/86/13/1359088613.db2.gz KZFFUFFZKIWTDI-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001086502563 1359121923 /nfs/dbraw/zinc/12/19/23/1359121923.db2.gz FMVYAJQJJNDVOM-UAFMIMERSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086740341 1359193820 /nfs/dbraw/zinc/19/38/20/1359193820.db2.gz UYLSTYGNNCKXTD-XUVXKRRUSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001184058429 1387384828 /nfs/dbraw/zinc/38/48/28/1387384828.db2.gz FPODUZLBCASNGS-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921157 1359248465 /nfs/dbraw/zinc/24/84/65/1359248465.db2.gz IYQBXNIVULZDJJ-RTBURBONSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927992 1359252532 /nfs/dbraw/zinc/25/25/32/1359252532.db2.gz RXARRNTXNBOTKQ-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927991 1359252785 /nfs/dbraw/zinc/25/27/85/1359252785.db2.gz RXARRNTXNBOTKQ-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303492 1359387039 /nfs/dbraw/zinc/38/70/39/1359387039.db2.gz MLXAYAJBMDCHHY-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087309166 1359396275 /nfs/dbraw/zinc/39/62/75/1359396275.db2.gz BQWVENUYDAPQNY-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087309168 1359396659 /nfs/dbraw/zinc/39/66/59/1359396659.db2.gz BQWVENUYDAPQNY-YZGWKJHDSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCC(C)(C)C ZINC001087569934 1359535513 /nfs/dbraw/zinc/53/55/13/1359535513.db2.gz TUHZMNTUBJWQCA-KSZLIROESA-N 2 0 337.552 3.265 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569769 1359535709 /nfs/dbraw/zinc/53/57/09/1359535709.db2.gz MHZSRHLTWYHMOL-IPMKNSEASA-N 2 0 337.552 3.265 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699603 1359599241 /nfs/dbraw/zinc/59/92/41/1359599241.db2.gz BZGPVOPULOMZGT-DSLXNQLJSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087725516 1359612835 /nfs/dbraw/zinc/61/28/35/1359612835.db2.gz RYOBBSJVTLMEDE-YSIASYRMSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1CC(C)C ZINC001087728184 1359614761 /nfs/dbraw/zinc/61/47/61/1359614761.db2.gz IQPMBEHBDDPXML-VQTJNVASSA-N 2 0 345.531 3.029 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CCC1CC1 ZINC001087762657 1359632569 /nfs/dbraw/zinc/63/25/69/1359632569.db2.gz GHMQNRNRADATHM-VQTJNVASSA-N 2 0 343.515 3.131 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CC1=CCCCC1 ZINC001087840747 1359675262 /nfs/dbraw/zinc/67/52/62/1359675262.db2.gz MHGZCILKOFWOKR-ZCNNSNEGSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[N@@H+]1CC(C)C ZINC001087845146 1359677827 /nfs/dbraw/zinc/67/78/27/1359677827.db2.gz JGKJCQHZZUWXTF-ZWKOTPCHSA-N 2 0 349.519 3.360 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001088382509 1359865151 /nfs/dbraw/zinc/86/51/51/1359865151.db2.gz CZCYEDDPZWLWNY-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088394605 1359870836 /nfs/dbraw/zinc/87/08/36/1359870836.db2.gz KMBHNQMBDPBNLC-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CCCCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001088426163 1359894454 /nfs/dbraw/zinc/89/44/54/1359894454.db2.gz MVVFFRSRFJTBGO-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431486 1359898921 /nfs/dbraw/zinc/89/89/21/1359898921.db2.gz XNBUJJOQJHKJHC-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001088567399 1359976704 /nfs/dbraw/zinc/97/67/04/1359976704.db2.gz LNSOPFXGFQOADT-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569423 1359976911 /nfs/dbraw/zinc/97/69/11/1359976911.db2.gz SPOZHLVESOTDMG-GGPKGHCWSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088605453 1359988441 /nfs/dbraw/zinc/98/84/41/1359988441.db2.gz TTZOXSUTMSJTRQ-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088617138 1359992923 /nfs/dbraw/zinc/99/29/23/1359992923.db2.gz ZYOOWVVRYIHBPE-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)cc1 ZINC001088709501 1360017469 /nfs/dbraw/zinc/01/74/69/1360017469.db2.gz FXGSANZIFUCSIS-UZLBHIALSA-N 2 0 348.450 3.036 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC1CCCCCC1 ZINC001088939616 1360108591 /nfs/dbraw/zinc/10/85/91/1360108591.db2.gz ZBQOCLPEDIVAJU-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971644 1360120290 /nfs/dbraw/zinc/12/02/90/1360120290.db2.gz XGMFIEMUUCEXBC-UZLBHIALSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001184411820 1387452618 /nfs/dbraw/zinc/45/26/18/1387452618.db2.gz IWCBCKZRGIZORA-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089477605 1360460192 /nfs/dbraw/zinc/46/01/92/1360460192.db2.gz OGQSCHPBCIULFO-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558581 1360507119 /nfs/dbraw/zinc/50/71/19/1360507119.db2.gz IZKHTWWVFXSZOD-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089647298 1360560026 /nfs/dbraw/zinc/56/00/26/1360560026.db2.gz UXRJWZHWYJWUPN-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089684183 1360589634 /nfs/dbraw/zinc/58/96/34/1360589634.db2.gz NINKUNUGZFBJTI-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC ZINC001089721714 1360624056 /nfs/dbraw/zinc/62/40/56/1360624056.db2.gz JSPDXVDVIZFBRX-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C[NH2+]CCCC1CCC1 ZINC001184565339 1387493426 /nfs/dbraw/zinc/49/34/26/1387493426.db2.gz IGLTXHHBXAFBKK-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CCCC1 ZINC001184629383 1387501513 /nfs/dbraw/zinc/50/15/13/1387501513.db2.gz ZXHVYNQBKFCZBM-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001323992309 1387505074 /nfs/dbraw/zinc/50/50/74/1387505074.db2.gz RMNUSFDUABGXDP-MBSDFSHPSA-N 2 0 349.522 3.457 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001093225908 1361552208 /nfs/dbraw/zinc/55/22/08/1361552208.db2.gz UHSTTZIRNFLRQI-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184736456 1387524123 /nfs/dbraw/zinc/52/41/23/1387524123.db2.gz UXZQVBMBDTZKTI-SJLPKXTDSA-N 2 0 342.487 3.212 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450451 1361806226 /nfs/dbraw/zinc/80/62/26/1361806226.db2.gz PJVPNXXPMCWMJL-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001324273313 1387577217 /nfs/dbraw/zinc/57/72/17/1387577217.db2.gz KPSQPVLXQKVLEA-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313347 1362460427 /nfs/dbraw/zinc/46/04/27/1362460427.db2.gz CKSLWOUHRZTRBJ-XWSJACJDSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096597775 1362592354 /nfs/dbraw/zinc/59/23/54/1362592354.db2.gz LYDARYVKMQBPOA-AABGKKOBSA-N 2 0 343.515 3.129 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079936 1362835452 /nfs/dbraw/zinc/83/54/52/1362835452.db2.gz QHRVGVXFKQHNFJ-AFYVEPGGSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)CC[N@@H+]1C ZINC001097104169 1362844575 /nfs/dbraw/zinc/84/45/75/1362844575.db2.gz HQSYDKHJIYZLJV-IVDHNXQLSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(CC)CC ZINC001097177011 1362875292 /nfs/dbraw/zinc/87/52/92/1362875292.db2.gz FMVWPBPAHIXZEU-AKHDSKFASA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185053595 1387600335 /nfs/dbraw/zinc/60/03/35/1387600335.db2.gz UPZVQGGWJMXRBU-ZSQQTYLHSA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C1CCCC1 ZINC001098812760 1363478201 /nfs/dbraw/zinc/47/82/01/1363478201.db2.gz DFYWZKVZXUFYGT-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[C@@H]([NH2+]CC)C2CCCC2)C1 ZINC001098822206 1363482747 /nfs/dbraw/zinc/48/27/47/1363482747.db2.gz XFFFNDYSGWQIEW-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098975124 1363548673 /nfs/dbraw/zinc/54/86/73/1363548673.db2.gz DNCQIQMXUIMFHS-YZBXUTEPSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976246 1363551092 /nfs/dbraw/zinc/55/10/92/1363551092.db2.gz RMEIEXDBWUANDP-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106459 1363624872 /nfs/dbraw/zinc/62/48/72/1363624872.db2.gz GKROLWRWZVMJQR-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130589 1363643077 /nfs/dbraw/zinc/64/30/77/1363643077.db2.gz PNDODULSECOXCU-SJORKVTESA-N 2 0 339.568 3.370 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099165591 1363665975 /nfs/dbraw/zinc/66/59/75/1363665975.db2.gz MXECFTOGRNOQCT-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001099202639 1363689891 /nfs/dbraw/zinc/68/98/91/1363689891.db2.gz CQGZRTBFJNNTIP-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+](CC)CC ZINC001099228976 1363702358 /nfs/dbraw/zinc/70/23/58/1363702358.db2.gz FGYPXLRMTYMXDY-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+](CC)CC ZINC001099228972 1363702389 /nfs/dbraw/zinc/70/23/89/1363702389.db2.gz FGYPXLRMTYMXDY-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(CC)CC ZINC001099319968 1363747781 /nfs/dbraw/zinc/74/77/81/1363747781.db2.gz GRGLYEOGNKZSAJ-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[N@H+](CC2CC2)C1 ZINC001099340573 1363760387 /nfs/dbraw/zinc/76/03/87/1363760387.db2.gz VQLYURHABINUJQ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099353457 1363767575 /nfs/dbraw/zinc/76/75/75/1363767575.db2.gz BHENIZSLLQGLPB-QGZVFWFLSA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354248 1363768582 /nfs/dbraw/zinc/76/85/82/1363768582.db2.gz PMBPVUXQPWAQIO-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100319181 1364079436 /nfs/dbraw/zinc/07/94/36/1364079436.db2.gz ARHYHBJPGXWBGT-ABHNRTSZSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)=CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001100332702 1364082255 /nfs/dbraw/zinc/08/22/55/1364082255.db2.gz MVPRITDBZXKDLD-XBMUEBEBSA-N 2 0 347.547 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100383337 1364097298 /nfs/dbraw/zinc/09/72/98/1364097298.db2.gz WKPRTFNWBWLVKJ-ABHNRTSZSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100418613 1364108257 /nfs/dbraw/zinc/10/82/57/1364108257.db2.gz BXBPACVDJMIUCC-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001100438216 1364114049 /nfs/dbraw/zinc/11/40/49/1364114049.db2.gz VNTINFKWLKNTKN-SNAWJCMRSA-N 2 0 347.547 3.093 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100459890 1364122281 /nfs/dbraw/zinc/12/22/81/1364122281.db2.gz CNOHTNRCCSMWCY-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468717 1364125784 /nfs/dbraw/zinc/12/57/84/1364125784.db2.gz MCAWJHQLFYOIMZ-SREVYHEPSA-N 2 0 349.563 3.480 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535047 1364150367 /nfs/dbraw/zinc/15/03/67/1364150367.db2.gz KJXOLKOVTIUEIL-NMQMRSIGSA-N 2 0 347.547 3.092 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599445 1364183651 /nfs/dbraw/zinc/18/36/51/1364183651.db2.gz WQWFTQUAUSFKET-OYCKCEAOSA-N 2 0 349.563 3.339 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001100669312 1364211098 /nfs/dbraw/zinc/21/10/98/1364211098.db2.gz SXPZWBBJLJHFOE-MHJFOBGBSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)C(C)C ZINC001100765972 1364251819 /nfs/dbraw/zinc/25/18/19/1364251819.db2.gz JYMCWFFZKDZKAC-ACBHZAAOSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@@H]([NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1)c1ccc(F)cc1 ZINC001100770302 1364253356 /nfs/dbraw/zinc/25/33/56/1364253356.db2.gz ANKBTJKKYLGSAN-XUJQIHCRSA-N 2 0 349.494 3.103 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100856766 1364294847 /nfs/dbraw/zinc/29/48/47/1364294847.db2.gz RFDSQQQFXUWLGN-UHFFFAOYSA-N 2 0 337.552 3.339 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001100900046 1364321407 /nfs/dbraw/zinc/32/14/07/1364321407.db2.gz NMMJPUXRNKIYNQ-LYGPFTKASA-N 2 0 349.494 3.103 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001100900157 1364321776 /nfs/dbraw/zinc/32/17/76/1364321776.db2.gz SWQRDNJOINZXCD-PGYGNJIDSA-N 2 0 345.531 3.272 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100996940 1364362789 /nfs/dbraw/zinc/36/27/89/1364362789.db2.gz NIXODYJMXARDNS-PLNGDYQASA-N 2 0 349.563 3.483 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001101028016 1364381184 /nfs/dbraw/zinc/38/11/84/1364381184.db2.gz WPWKXASBHQKKIM-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101477396 1364576089 /nfs/dbraw/zinc/57/60/89/1364576089.db2.gz RRVHXSJNMZDWGJ-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1)[NH+](CC)CC ZINC001101574236 1364629312 /nfs/dbraw/zinc/62/93/12/1364629312.db2.gz YNPPPMXIBOVBTJ-SFHVURJKSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001101597258 1364647755 /nfs/dbraw/zinc/64/77/55/1364647755.db2.gz BUAKBCPUQNNFSC-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC001185416352 1387710365 /nfs/dbraw/zinc/71/03/65/1387710365.db2.gz STYCAGWUEWVRPL-QFBILLFUSA-N 2 0 345.531 3.187 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001102264693 1364976080 /nfs/dbraw/zinc/97/60/80/1364976080.db2.gz WAHKQQADKLCZDU-VMASUYHGSA-N 2 0 349.563 3.149 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001324646534 1387717157 /nfs/dbraw/zinc/71/71/57/1387717157.db2.gz IJQPSHWIVJHFPZ-PZJWPPBQSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)c1 ZINC001102601175 1365131776 /nfs/dbraw/zinc/13/17/76/1365131776.db2.gz PHFIQHOSQKLYLU-QWFCFKBJSA-N 2 0 345.531 3.080 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434279 1365557651 /nfs/dbraw/zinc/55/76/51/1365557651.db2.gz XKCJVNMRUJNPOS-WSTZPKSXSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495491 1365596972 /nfs/dbraw/zinc/59/69/72/1365596972.db2.gz FEXHITKTKUVTGD-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612737 1365676089 /nfs/dbraw/zinc/67/60/89/1365676089.db2.gz RUXPFOFOFNTSCE-TYFAACHXSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655244 1365705343 /nfs/dbraw/zinc/70/53/43/1365705343.db2.gz WMNSYIHIOLQYAZ-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001185609247 1387760328 /nfs/dbraw/zinc/76/03/28/1387760328.db2.gz GXJRTHLBJDGMHV-WOJBJXKFSA-N 2 0 345.531 3.114 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753706 1365765178 /nfs/dbraw/zinc/76/51/78/1365765178.db2.gz WHQLVMGFLXNBEI-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755587 1365766176 /nfs/dbraw/zinc/76/61/76/1365766176.db2.gz MKGGCWXPDHTCRF-GUDVDZBRSA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104286926 1365976724 /nfs/dbraw/zinc/97/67/24/1365976724.db2.gz MPKJMKCOTDRPKO-VAMGGRTRSA-N 2 0 349.563 3.005 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355038 1365983701 /nfs/dbraw/zinc/98/37/01/1365983701.db2.gz KTODIPAOVMEBSR-JCHUFIKGSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1)[NH+](CC)CC ZINC001104665989 1366123527 /nfs/dbraw/zinc/12/35/27/1366123527.db2.gz KFWATUPMTQJDHG-QRVBRYPASA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001104676699 1366127551 /nfs/dbraw/zinc/12/75/51/1366127551.db2.gz UNHNPBQINWCPBT-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001104873775 1366206325 /nfs/dbraw/zinc/20/63/25/1366206325.db2.gz FEHMRQGZQHIDGQ-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924132 1366225763 /nfs/dbraw/zinc/22/57/63/1366225763.db2.gz HNLCAQGLRGNECF-IEBWSBKVSA-N 2 0 339.568 3.229 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001105058901 1366299374 /nfs/dbraw/zinc/29/93/74/1366299374.db2.gz DCHAGQVKEXBTKJ-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105064504 1366302602 /nfs/dbraw/zinc/30/26/02/1366302602.db2.gz SAYSHKYPDOMIAZ-TYFAACHXSA-N 2 0 337.552 3.147 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105568264 1366536311 /nfs/dbraw/zinc/53/63/11/1366536311.db2.gz KDNXLDMQCBINJC-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576618 1366541113 /nfs/dbraw/zinc/54/11/13/1366541113.db2.gz JIMFVRKRQUIGLQ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210741 1366624465 /nfs/dbraw/zinc/62/44/65/1366624465.db2.gz CDHYTKYDNAWFGO-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106210690 1366624670 /nfs/dbraw/zinc/62/46/70/1366624670.db2.gz AEMXOHFMBBSEAP-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729104 1366782601 /nfs/dbraw/zinc/78/26/01/1366782601.db2.gz IDRGEYZUYFRRMP-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546505 1367037177 /nfs/dbraw/zinc/03/71/77/1367037177.db2.gz FROOHKIHGBPHGU-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547849 1367037617 /nfs/dbraw/zinc/03/76/17/1367037617.db2.gz YZVOGPNKOQNKQN-QKNQBKEWSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550847 1367038176 /nfs/dbraw/zinc/03/81/76/1367038176.db2.gz NGJPKQFDIUGWMN-WIYYLYMNSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550009 1367038290 /nfs/dbraw/zinc/03/82/90/1367038290.db2.gz KZSMSQCYVXDWDV-WAOWUJCRSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001107598688 1367065231 /nfs/dbraw/zinc/06/52/31/1367065231.db2.gz QUDKFCMNMVMPQV-TZIWHRDSSA-N 2 0 347.547 3.189 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646757 1367091462 /nfs/dbraw/zinc/09/14/62/1367091462.db2.gz UWHNKRKRQJGCGC-CWHLKURSSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001189771032 1367106251 /nfs/dbraw/zinc/10/62/51/1367106251.db2.gz GZLDPCHKXIANMC-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001189872329 1367121593 /nfs/dbraw/zinc/12/15/93/1367121593.db2.gz YSRRTPZFASBDHB-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565604 1367201766 /nfs/dbraw/zinc/20/17/66/1367201766.db2.gz VBAAESSCWFBZBB-ITVKQWQRSA-N 2 0 347.547 3.329 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565605 1367201933 /nfs/dbraw/zinc/20/19/33/1367201933.db2.gz VBAAESSCWFBZBB-PEHGNSNYSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190491406 1367275904 /nfs/dbraw/zinc/27/59/04/1367275904.db2.gz GWBSQWRHIVGXBR-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001109714670 1367289918 /nfs/dbraw/zinc/28/99/18/1367289918.db2.gz RZGDKOJZHRVXDD-FYQPLNBISA-N 2 0 349.563 3.409 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714758 1367290849 /nfs/dbraw/zinc/29/08/49/1367290849.db2.gz VJRDJWHQJJKHMR-HCXYKTFWSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719949 1367292153 /nfs/dbraw/zinc/29/21/53/1367292153.db2.gz SMEDIRIYDUKVJY-SQNIBIBYSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656328 1367319816 /nfs/dbraw/zinc/31/98/16/1367319816.db2.gz RZSKKJULIYDIMI-RBUKOAKNSA-N 2 0 335.536 3.116 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656855 1367319882 /nfs/dbraw/zinc/31/98/82/1367319882.db2.gz WXWBFZNFHLKVPL-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860317 1367364558 /nfs/dbraw/zinc/36/45/58/1367364558.db2.gz XMKUYCPUPIKGNW-YDZRNGNQSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082510 1367420408 /nfs/dbraw/zinc/42/04/08/1367420408.db2.gz ZSAWUCGMVZEZLN-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](CC)c1ccccc1 ZINC001110022387 1367461940 /nfs/dbraw/zinc/46/19/40/1367461940.db2.gz WBESRURGUWPXCA-FYQPLNBISA-N 2 0 343.515 3.201 20 0 EGADRP Cc1ccccc1C1CC([NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2CC2)C1 ZINC001191330607 1367477879 /nfs/dbraw/zinc/47/78/79/1367477879.db2.gz SPIVFVMHKWRLLX-LYBXBRPPSA-N 2 0 330.516 3.407 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110142412 1367524621 /nfs/dbraw/zinc/52/46/21/1367524621.db2.gz AYCKGDRLLUFUKX-AABGKKOBSA-N 2 0 343.515 3.274 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560259 1367527965 /nfs/dbraw/zinc/52/79/65/1367527965.db2.gz CJUZRPPTVJXVMM-HPFMTEOYSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001108711924 1367550446 /nfs/dbraw/zinc/55/04/46/1367550446.db2.gz WFCPIAAOBPZBSA-OTWHNJEPSA-N 2 0 347.547 3.022 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986806 1367656069 /nfs/dbraw/zinc/65/60/69/1367656069.db2.gz BVNOFUSGCZVBJJ-ZEVQVBBLSA-N 2 0 347.503 3.234 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1)[NH+](CC)CC ZINC001192325579 1367752500 /nfs/dbraw/zinc/75/25/00/1367752500.db2.gz LWSADZSFERGBSK-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)[NH+](CC)CC ZINC001192325587 1367752720 /nfs/dbraw/zinc/75/27/20/1367752720.db2.gz MAYWGDZHOKSSAK-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1)[NH+](CC)CC ZINC001192326880 1367754213 /nfs/dbraw/zinc/75/42/13/1367754213.db2.gz UOHZPVQDLWBHLQ-MSOLQXFVSA-N 2 0 325.541 3.076 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)(C)C)CC[N@@H+]1C ZINC001110576482 1367844009 /nfs/dbraw/zinc/84/40/09/1367844009.db2.gz LDWXNWOGXBALIF-ZRSRNVLSSA-N 2 0 349.563 3.265 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192672163 1367845790 /nfs/dbraw/zinc/84/57/90/1367845790.db2.gz ULCYPFJXONVLIK-RBUKOAKNSA-N 2 0 337.552 3.362 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660574 1367903305 /nfs/dbraw/zinc/90/33/05/1367903305.db2.gz FYNRIXNHKMQRFV-WTGUMLROSA-N 2 0 349.563 3.407 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1)C(C)C ZINC001192918167 1367904442 /nfs/dbraw/zinc/90/44/42/1367904442.db2.gz XZSRMAWTBZHCFI-RTBURBONSA-N 2 0 339.568 3.322 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001192960602 1367911706 /nfs/dbraw/zinc/91/17/06/1367911706.db2.gz RWTGOMOXRUUOMC-HXUWFJFHSA-N 2 0 345.531 3.185 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001110683107 1367925417 /nfs/dbraw/zinc/92/54/17/1367925417.db2.gz QOAWXHKDIXVLAG-NMLBUPMWSA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC2(CCC2)C1 ZINC001110738897 1367955151 /nfs/dbraw/zinc/95/51/51/1367955151.db2.gz YWMFOOAUDYVCHP-KURKYZTESA-N 2 0 347.547 3.019 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389892 1368017562 /nfs/dbraw/zinc/01/75/62/1368017562.db2.gz JGDCDHSRLHCWIH-RBUKOAKNSA-N 2 0 337.552 3.364 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424605 1368027031 /nfs/dbraw/zinc/02/70/31/1368027031.db2.gz NXBDFIBANYWFRP-UXHICEINSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424608 1368027433 /nfs/dbraw/zinc/02/74/33/1368027433.db2.gz NXBDFIBANYWFRP-VQTJNVASSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424563 1368027561 /nfs/dbraw/zinc/02/75/61/1368027561.db2.gz NEOYXNKMDTWWML-WOJBJXKFSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001193643039 1368082113 /nfs/dbraw/zinc/08/21/13/1368082113.db2.gz PTGNPVGGSWXARI-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001193643041 1368082235 /nfs/dbraw/zinc/08/22/35/1368082235.db2.gz PTGNPVGGSWXARI-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018276 1368144147 /nfs/dbraw/zinc/14/41/47/1368144147.db2.gz PEBMBCSELYLKGK-KUYNXSNKSA-N 2 0 335.536 3.185 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCC ZINC001111160269 1368170189 /nfs/dbraw/zinc/17/01/89/1368170189.db2.gz NIVPNSBWLFEWQH-QRVBRYPASA-N 2 0 337.552 3.410 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245737 1368216753 /nfs/dbraw/zinc/21/67/53/1368216753.db2.gz DAECTDURVACEIS-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001111268926 1368235835 /nfs/dbraw/zinc/23/58/35/1368235835.db2.gz IYJZDUYBVYZLEY-QRVBRYPASA-N 2 0 337.552 3.266 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430839 1368260005 /nfs/dbraw/zinc/26/00/05/1368260005.db2.gz XWGSSMICIIISMF-SFHVURJKSA-N 2 0 349.544 3.047 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415315 1368302863 /nfs/dbraw/zinc/30/28/63/1368302863.db2.gz MBBBKIRAQVPFIX-MANSERQUSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001111463236 1368310806 /nfs/dbraw/zinc/31/08/06/1368310806.db2.gz GAGZEQFVEFTNPX-AKHDSKFASA-N 2 0 335.536 3.019 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001111782261 1368459302 /nfs/dbraw/zinc/45/93/02/1368459302.db2.gz BAONNYDFFOTPNI-UEXGIBASSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001186427562 1387941038 /nfs/dbraw/zinc/94/10/38/1387941038.db2.gz FKKSXCZSXRSUOK-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC001111857870 1368508950 /nfs/dbraw/zinc/50/89/50/1368508950.db2.gz CHNAAFCZDZPPPH-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201050 1368566998 /nfs/dbraw/zinc/56/69/98/1368566998.db2.gz SWVYUCSGCCVYQB-VOFKWLDRSA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1=CCCCC1)C2 ZINC001111951130 1368571479 /nfs/dbraw/zinc/57/14/79/1368571479.db2.gz UGXCIUZTBOKSEP-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001196275141 1368581540 /nfs/dbraw/zinc/58/15/40/1368581540.db2.gz GRTROXGQJBGRHT-UVEXCMSLSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388481 1368604681 /nfs/dbraw/zinc/60/46/81/1368604681.db2.gz MUMGAJFRUFGAQV-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[N@H+](CCCC3CCC3)CC2)CCCC1 ZINC001196656910 1368657000 /nfs/dbraw/zinc/65/70/00/1368657000.db2.gz WGJVTNXFMRUINO-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353406 1368784840 /nfs/dbraw/zinc/78/48/40/1368784840.db2.gz GIJKLTQOBJSLSN-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353407 1368785055 /nfs/dbraw/zinc/78/50/55/1368785055.db2.gz GIJKLTQOBJSLSN-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332697 1368790308 /nfs/dbraw/zinc/79/03/08/1368790308.db2.gz YLUMEGKEQWQKLC-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332699 1368790333 /nfs/dbraw/zinc/79/03/33/1368790333.db2.gz YLUMEGKEQWQKLC-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112519286 1368911435 /nfs/dbraw/zinc/91/14/35/1368911435.db2.gz CQHWXLLBXNRIBD-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529595 1368916321 /nfs/dbraw/zinc/91/63/21/1368916321.db2.gz HAADWLJCXXUAPH-FPJAKCJMSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540027 1368920393 /nfs/dbraw/zinc/92/03/93/1368920393.db2.gz BQVSVMCPEICXFR-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112567870 1368930849 /nfs/dbraw/zinc/93/08/49/1368930849.db2.gz LXUZPOLOROMNKO-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578787 1368935459 /nfs/dbraw/zinc/93/54/59/1368935459.db2.gz GXFHBQSCJLEPRJ-CFQKCQFKSA-N 2 0 347.547 3.047 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585526 1368938039 /nfs/dbraw/zinc/93/80/39/1368938039.db2.gz CXDPGMXBSGWNNM-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112585797 1368938381 /nfs/dbraw/zinc/93/83/81/1368938381.db2.gz QUZMQIBMQIMBMB-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584998 1368938518 /nfs/dbraw/zinc/93/85/18/1368938518.db2.gz UETVTEBJPOQACS-DYXWJJEUSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001186597113 1387979071 /nfs/dbraw/zinc/97/90/71/1387979071.db2.gz FPIIEUYNRIRQLU-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001113032713 1369153266 /nfs/dbraw/zinc/15/32/66/1369153266.db2.gz CQGHZRVXECMSGZ-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113057431 1369171265 /nfs/dbraw/zinc/17/12/65/1369171265.db2.gz QNCSOXNEDQIPLS-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCC(C)(C)C3)cn2)CC1 ZINC001199136673 1369183951 /nfs/dbraw/zinc/18/39/51/1369183951.db2.gz MPOFQPYLPXQJPX-KRWDZBQOSA-N 2 0 330.520 3.139 20 0 EGADRP CC(C)CCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113154799 1369231876 /nfs/dbraw/zinc/23/18/76/1369231876.db2.gz BWNFRQGWSGURRQ-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@H](C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1)[NH+](CC)CC ZINC001113341053 1369359157 /nfs/dbraw/zinc/35/91/57/1369359157.db2.gz JBPFQHBJXKXHPE-CTWPCTMYSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577867 1369393149 /nfs/dbraw/zinc/39/31/49/1369393149.db2.gz IPVXHZCLJODIDI-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401489 1369399248 /nfs/dbraw/zinc/39/92/48/1369399248.db2.gz DKKXXPJJWVBUKX-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001186732364 1388001504 /nfs/dbraw/zinc/00/15/04/1388001504.db2.gz UVXNXHSUGDORKH-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200893581 1369445395 /nfs/dbraw/zinc/44/53/95/1369445395.db2.gz FJPLWCAZYACWRL-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201044075 1369470562 /nfs/dbraw/zinc/47/05/62/1369470562.db2.gz PBDWKLKYNFYKMB-VOFKWLDRSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053421 1369473034 /nfs/dbraw/zinc/47/30/34/1369473034.db2.gz OSOFLTOQTUVQFU-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201399509 1369537183 /nfs/dbraw/zinc/53/71/83/1369537183.db2.gz ILUKPFQMKHNTBO-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CCC[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113642630 1369540567 /nfs/dbraw/zinc/54/05/67/1369540567.db2.gz BRZIXFXRGSAZNJ-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201462542 1369549983 /nfs/dbraw/zinc/54/99/83/1369549983.db2.gz RKIUCSFEBLCQHJ-PLNGDYQASA-N 2 0 340.471 3.275 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001186824993 1388011619 /nfs/dbraw/zinc/01/16/19/1388011619.db2.gz UAUXQGSSVCQBTP-LJQANCHMSA-N 2 0 345.531 3.016 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201618062 1369590917 /nfs/dbraw/zinc/59/09/17/1369590917.db2.gz QPPSWHHEVDSFEJ-SFTDATJTSA-N 2 0 334.548 3.493 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CCC(C)C)CC2 ZINC001201618446 1369591460 /nfs/dbraw/zinc/59/14/60/1369591460.db2.gz XXNGWBKUQKRZCD-FQEVSTJZSA-N 2 0 345.531 3.431 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3nc(C(F)(F)F)cs3)cc[nH+]2)CC1 ZINC001201649464 1369597326 /nfs/dbraw/zinc/59/73/26/1369597326.db2.gz UIVLMYUNIWMZQI-UHFFFAOYSA-N 2 0 343.378 3.052 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201838911 1369632578 /nfs/dbraw/zinc/63/25/78/1369632578.db2.gz HIDFKYNAVXNRLW-AATRIKPKSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156975 1369703478 /nfs/dbraw/zinc/70/34/78/1369703478.db2.gz RHWWWCNOXHSNQL-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202473655 1369783236 /nfs/dbraw/zinc/78/32/36/1369783236.db2.gz MZEINMHXIOUALL-GOSISDBHSA-N 2 0 325.541 3.268 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202863795 1369910560 /nfs/dbraw/zinc/91/05/60/1369910560.db2.gz NAPVMCGNUVDVSD-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202862872 1369910754 /nfs/dbraw/zinc/91/07/54/1369910754.db2.gz HHYHFQJKUANGDD-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202929471 1369928745 /nfs/dbraw/zinc/92/87/45/1369928745.db2.gz NIOWXOMEPDVJMR-ZWKOTPCHSA-N 2 0 347.547 3.234 20 0 EGADRP CCC1(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)COC1 ZINC001202964481 1369938418 /nfs/dbraw/zinc/93/84/18/1369938418.db2.gz MORWJFGSHSIQEB-MTQWCTHYSA-N 2 0 330.516 3.308 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC001325755728 1388041826 /nfs/dbraw/zinc/04/18/26/1388041826.db2.gz GUGWNLORBAKEBO-LRDDRELGSA-N 2 0 325.294 3.358 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203287310 1370062498 /nfs/dbraw/zinc/06/24/98/1370062498.db2.gz BGZILUUXRNDOFP-NRFANRHFSA-N 2 0 343.515 3.010 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312756 1370077535 /nfs/dbraw/zinc/07/75/35/1370077535.db2.gz UJYMXDHAWOUJEC-IRXDYDNUSA-N 2 0 347.503 3.162 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203317175 1370080145 /nfs/dbraw/zinc/08/01/45/1370080145.db2.gz MMEGATONKMDYGY-XXCOWLKOSA-N 2 0 347.547 3.092 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001203330671 1370084834 /nfs/dbraw/zinc/08/48/34/1370084834.db2.gz OPRAHUJKUXERIM-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828296 1370101100 /nfs/dbraw/zinc/10/11/00/1370101100.db2.gz ANSNTOHOHZDHRQ-ZGXWSNOMSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001203454965 1370132681 /nfs/dbraw/zinc/13/26/81/1370132681.db2.gz BSHAZWOAVPQQAF-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC001203456047 1370133389 /nfs/dbraw/zinc/13/33/89/1370133389.db2.gz PAHJHNPDMSORFU-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203505309 1370147338 /nfs/dbraw/zinc/14/73/38/1370147338.db2.gz CHFJXCGENYHKEV-MOPGFXCFSA-N 2 0 349.563 3.482 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114921338 1370150298 /nfs/dbraw/zinc/15/02/98/1370150298.db2.gz KXQYEPGIUQQKAV-VIZGMVCOSA-N 2 0 347.547 3.042 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203640881 1370197399 /nfs/dbraw/zinc/19/73/99/1370197399.db2.gz JVBASCUNGBYILF-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203640951 1370197481 /nfs/dbraw/zinc/19/74/81/1370197481.db2.gz KYKXDAZZBKPCFQ-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(CC)CC)C12CCC2 ZINC001203641771 1370199005 /nfs/dbraw/zinc/19/90/05/1370199005.db2.gz VDDJUUZGCZXEQT-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1C ZINC001203754254 1370249593 /nfs/dbraw/zinc/24/95/93/1370249593.db2.gz CZKFUSAHFAYHKY-UHFFFAOYSA-N 2 0 325.456 3.338 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001203888491 1370299792 /nfs/dbraw/zinc/29/97/92/1370299792.db2.gz MDZGFJBZFLUABC-UHFFFAOYSA-N 2 0 347.547 3.334 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001115156735 1370317960 /nfs/dbraw/zinc/31/79/60/1370317960.db2.gz UNTKWPDWHFOJBW-KXTWHKPSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001203933114 1370320345 /nfs/dbraw/zinc/32/03/45/1370320345.db2.gz UMTXGFCYNMYKKQ-IBGZPJMESA-N 2 0 331.504 3.059 20 0 EGADRP CC1(C)CC[N@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001204002353 1370344891 /nfs/dbraw/zinc/34/48/91/1370344891.db2.gz LGIFKLWXFUXNHU-UHFFFAOYSA-N 2 0 329.532 3.015 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204043434 1370357706 /nfs/dbraw/zinc/35/77/06/1370357706.db2.gz UGMUHVCKNMLLOL-UHFFFAOYSA-N 2 0 328.504 3.017 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001204171404 1370398160 /nfs/dbraw/zinc/39/81/60/1370398160.db2.gz KOKWSVYNNPQGSQ-NHCUHLMSSA-N 2 0 328.500 3.175 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+](C)CCc2cccnc2)cc1 ZINC001204268120 1370426758 /nfs/dbraw/zinc/42/67/58/1370426758.db2.gz FZRBSXNHCUXRHY-UHFFFAOYSA-N 2 0 327.472 3.087 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC001204266909 1370426869 /nfs/dbraw/zinc/42/68/69/1370426869.db2.gz AZKOBTAOBGDJKN-FQEVSTJZSA-N 2 0 339.483 3.402 20 0 EGADRP C[C@H]1C[C@H]2C[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)CC[C@H]2O1 ZINC001204266609 1370427199 /nfs/dbraw/zinc/42/71/99/1370427199.db2.gz YOHVJDUQKGDNAK-XKGZKEIXSA-N 2 0 332.488 3.016 20 0 EGADRP Cc1ccc(C[N@@H+](C)Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC001204271554 1370428121 /nfs/dbraw/zinc/42/81/21/1370428121.db2.gz NMDMUXODPIYESW-UHFFFAOYSA-N 2 0 327.472 3.353 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC001204326090 1370444655 /nfs/dbraw/zinc/44/46/55/1370444655.db2.gz UHWFGFZEYGWHOD-UHFFFAOYSA-N 2 0 342.531 3.028 20 0 EGADRP Cc1c(F)cccc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001204508517 1370497581 /nfs/dbraw/zinc/49/75/81/1370497581.db2.gz GRSDVCDNYLMVGH-RTBURBONSA-N 2 0 325.431 3.093 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@@]34CC[NH2+][C@H]3COCC4)cc2)cc1 ZINC001204631589 1370533720 /nfs/dbraw/zinc/53/37/20/1370533720.db2.gz IPSZVJJYSCPTNU-VXKWHMMOSA-N 2 0 336.479 3.435 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(OCC)c1 ZINC001204734680 1370558084 /nfs/dbraw/zinc/55/80/84/1370558084.db2.gz BIMDKBULNPOPII-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC)CCCCC1 ZINC001115563125 1370562622 /nfs/dbraw/zinc/56/26/22/1370562622.db2.gz QULBIMDRZAGVID-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115573207 1370575799 /nfs/dbraw/zinc/57/57/99/1370575799.db2.gz MSCLVMYUYIUIGL-GOSISDBHSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614370 1370611914 /nfs/dbraw/zinc/61/19/14/1370611914.db2.gz AOOOBVSGNNSNMB-UHFFFAOYSA-N 2 0 335.536 3.214 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617092 1370614238 /nfs/dbraw/zinc/61/42/38/1370614238.db2.gz CAFFFJHERFCVIG-UHFFFAOYSA-N 2 0 340.471 3.323 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630429 1370623760 /nfs/dbraw/zinc/62/37/60/1370623760.db2.gz LIKUWEXDOCYMAX-UHFFFAOYSA-N 2 0 328.460 3.157 20 0 EGADRP CCc1cccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCCC2)c1 ZINC001115708168 1370687599 /nfs/dbraw/zinc/68/75/99/1370687599.db2.gz RRSBSZVEIXIGIP-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205247188 1370694505 /nfs/dbraw/zinc/69/45/05/1370694505.db2.gz CRHCDLCGFZOAGX-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)CC1 ZINC001205248603 1370695003 /nfs/dbraw/zinc/69/50/03/1370695003.db2.gz QHVXBKOTVUOXKZ-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729716 1370711800 /nfs/dbraw/zinc/71/18/00/1370711800.db2.gz QFVVFABHBHBGPR-SHCNBLLESA-N 2 0 335.536 3.236 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730244 1370712795 /nfs/dbraw/zinc/71/27/95/1370712795.db2.gz GUWVEULWKRFWOH-OXUXSNCKSA-N 2 0 349.563 3.339 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H]1C[NH3+] ZINC001205306700 1370715177 /nfs/dbraw/zinc/71/51/77/1370715177.db2.gz YXLASFURLBIRMU-WMZOPIPTSA-N 2 0 334.467 3.442 20 0 EGADRP [NH3+][C@H](CCc1nc([C@H]2C[NH+]3CCC2CC3)no1)CC1CCCCC1 ZINC001325933882 1388091037 /nfs/dbraw/zinc/09/10/37/1388091037.db2.gz NXPYDGVPDRQAJF-SJORKVTESA-N 2 0 332.492 3.109 20 0 EGADRP COc1ccc(C(C)(C)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC001205409244 1370747093 /nfs/dbraw/zinc/74/70/93/1370747093.db2.gz KBKBJWDIALIIFI-KRWDZBQOSA-N 2 0 334.504 3.398 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205420228 1370749482 /nfs/dbraw/zinc/74/94/82/1370749482.db2.gz KNUMCULYSMFXCF-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115778626 1370761507 /nfs/dbraw/zinc/76/15/07/1370761507.db2.gz IZLUHAFWLWUIAM-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461560 1370762608 /nfs/dbraw/zinc/76/26/08/1370762608.db2.gz NMASKJHITQWHRB-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483454 1370769346 /nfs/dbraw/zinc/76/93/46/1370769346.db2.gz DVVASTJOAFRHAF-PXPVJAHISA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)c1ccccc1 ZINC001205518700 1370778498 /nfs/dbraw/zinc/77/84/98/1370778498.db2.gz IGJHAMGLRYNLIH-WOJBJXKFSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1csc2nc(C)c(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)n12 ZINC001205540278 1370785047 /nfs/dbraw/zinc/78/50/47/1370785047.db2.gz FCBSZJQXUGBUKO-UHFFFAOYSA-N 2 0 332.517 3.320 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1OC ZINC001205559228 1370791137 /nfs/dbraw/zinc/79/11/37/1370791137.db2.gz PDLIQNCNCJDRFG-MRXNPFEDSA-N 2 0 330.831 3.010 20 0 EGADRP CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570430 1370795508 /nfs/dbraw/zinc/79/55/08/1370795508.db2.gz HROYKETZMQMRTD-NRFANRHFSA-N 2 0 341.499 3.491 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Br ZINC001205571352 1370795617 /nfs/dbraw/zinc/79/56/17/1370795617.db2.gz SYNZAOCNXGXJSK-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1C(F)(F)F ZINC001205570093 1370795759 /nfs/dbraw/zinc/79/57/59/1370795759.db2.gz FQWQWEIQKRPBHJ-OAHLLOKOSA-N 2 0 334.357 3.367 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001205578436 1370797924 /nfs/dbraw/zinc/79/79/24/1370797924.db2.gz BXKTZOUEPVQFJW-FQEVSTJZSA-N 2 0 343.446 3.314 20 0 EGADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205578582 1370797988 /nfs/dbraw/zinc/79/79/88/1370797988.db2.gz GGENMCJHGOUNIX-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)(C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592317 1370803681 /nfs/dbraw/zinc/80/36/81/1370803681.db2.gz SMVHEAYTAIHQPH-LJQANCHMSA-N 2 0 335.467 3.324 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205602240 1370806562 /nfs/dbraw/zinc/80/65/62/1370806562.db2.gz HVVMSLPBXNLJCZ-APWZRJJASA-N 2 0 332.488 3.103 20 0 EGADRP O=C(N1CCC(C[NH2+]CCC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001205620123 1370814250 /nfs/dbraw/zinc/81/42/50/1370814250.db2.gz JVDHYBVVQYZWPY-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP COc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205638853 1370823461 /nfs/dbraw/zinc/82/34/61/1370823461.db2.gz SPBIGHZZZWHNII-JSGCOSHPSA-N 2 0 341.293 3.265 20 0 EGADRP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1OCC1CC1 ZINC001205663341 1370833803 /nfs/dbraw/zinc/83/38/03/1370833803.db2.gz HWEDVGYOWNZZHL-WBVHZDCISA-N 2 0 332.488 3.291 20 0 EGADRP C[N@@H+]1CCc2ccc(-c3ccc(CC[NH+]4CCOCC4)cc3)cc2C1 ZINC001205687396 1370842219 /nfs/dbraw/zinc/84/22/19/1370842219.db2.gz UJLHLSMDZMCNRR-UHFFFAOYSA-N 2 0 336.479 3.216 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751991 1370860740 /nfs/dbraw/zinc/86/07/40/1370860740.db2.gz RXNQTDKSZZRZQW-YADGQWAMSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001205923273 1370911861 /nfs/dbraw/zinc/91/18/61/1370911861.db2.gz MDGIZDYAYCWMMN-MNOVXSKESA-N 2 0 326.366 3.141 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001116449761 1370914963 /nfs/dbraw/zinc/91/49/63/1370914963.db2.gz STGXWKVDMYBMEB-IAGOWNOFSA-N 2 0 348.560 3.358 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC([C@H](O)c3ccc(OC)cc3)CC2)CC1 ZINC001205975117 1370926535 /nfs/dbraw/zinc/92/65/35/1370926535.db2.gz XSAMWCFQOUQDJB-OAQYLSRUSA-N 2 0 346.515 3.173 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001205996109 1370933037 /nfs/dbraw/zinc/93/30/37/1370933037.db2.gz UURPDAHKVCRVMK-OCCSQVGLSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)CCC[C@H]1C[NH3+] ZINC001205994410 1370933079 /nfs/dbraw/zinc/93/30/79/1370933079.db2.gz LMIJDURXCWBAJK-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(Br)c2F)CCC[C@@H]1C[NH3+] ZINC001206004740 1370935577 /nfs/dbraw/zinc/93/55/77/1370935577.db2.gz UVXWSCFUDJTTOV-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206012040 1370938498 /nfs/dbraw/zinc/93/84/98/1370938498.db2.gz IDOQGGNAIYOTRO-STQMWFEESA-N 2 0 346.393 3.401 20 0 EGADRP Cc1nc(C)c(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)s1 ZINC001206151337 1370972925 /nfs/dbraw/zinc/97/29/25/1370972925.db2.gz SUFWZMOJXDGPSI-SFHVURJKSA-N 2 0 337.533 3.083 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc12 ZINC001206210511 1370994136 /nfs/dbraw/zinc/99/41/36/1370994136.db2.gz KNXBJOYUBPYEOJ-IAGOWNOFSA-N 2 0 332.419 3.118 20 0 EGADRP Cc1cc(N2CC[NH+](CC3(C)CC[NH2+]CC3)CC2)c2ccccc2[nH+]1 ZINC001206284748 1371012252 /nfs/dbraw/zinc/01/22/52/1371012252.db2.gz GKRHHIHONUUIAF-UHFFFAOYSA-N 3 0 338.499 3.055 20 0 EGADRP NC[C@]1(F)CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336297 1371027151 /nfs/dbraw/zinc/02/71/51/1371027151.db2.gz LDPAECBPFMCVFU-HXUWFJFHSA-N 2 0 333.495 3.052 20 0 EGADRP CCOc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1Br ZINC001206506699 1371076468 /nfs/dbraw/zinc/07/64/68/1371076468.db2.gz LXPHQRSCXNOHBW-UHFFFAOYSA-N 2 0 341.293 3.409 20 0 EGADRP C[C@@]1(C[NH3+])CCCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001206540138 1371087453 /nfs/dbraw/zinc/08/74/53/1371087453.db2.gz AMCUNDJFUUSYQR-RTWAWAEBSA-N 2 0 329.532 3.492 20 0 EGADRP CC(C)[N@@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206581443 1371099427 /nfs/dbraw/zinc/09/94/27/1371099427.db2.gz IWGXAMYRPZABFS-SJLPKXTDSA-N 2 0 332.488 3.446 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587694 1371101123 /nfs/dbraw/zinc/10/11/23/1371101123.db2.gz NZNSDMLJZFMLAF-KRWDZBQOSA-N 2 0 345.531 3.236 20 0 EGADRP [NH3+]C[C@H]1CCCCN(Cc2cncc(OCc3ccccc3)c2)C1 ZINC001206648062 1371117827 /nfs/dbraw/zinc/11/78/27/1371117827.db2.gz LMCFFLOUKLWVDI-GOSISDBHSA-N 2 0 325.456 3.221 20 0 EGADRP Cc1cc(F)cc(Br)c1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206646463 1371118013 /nfs/dbraw/zinc/11/80/13/1371118013.db2.gz CMIWGHFZABVNNE-LBPRGKRZSA-N 2 0 329.257 3.457 20 0 EGADRP [NH3+]C[C@H]1CCCCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC001206646969 1371118088 /nfs/dbraw/zinc/11/80/88/1371118088.db2.gz FSYLZQXJODOFCK-LLVKDONJSA-N 2 0 338.249 3.151 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001206654347 1371121693 /nfs/dbraw/zinc/12/16/93/1371121693.db2.gz VKUTTYVKMPGHQJ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001206768735 1371158418 /nfs/dbraw/zinc/15/84/18/1371158418.db2.gz LWJXNMQNOJQNMQ-NEPJUHHUSA-N 2 0 336.277 3.490 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001206754690 1371154897 /nfs/dbraw/zinc/15/48/97/1371154897.db2.gz WBHZQOQOYADPIK-AATRIKPKSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCc1cccc(Br)c1 ZINC001206761334 1371157130 /nfs/dbraw/zinc/15/71/30/1371157130.db2.gz WYRZYCDRJVHVDI-UKRRQHHQSA-N 2 0 325.294 3.441 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)n1 ZINC001118289140 1371159386 /nfs/dbraw/zinc/15/93/86/1371159386.db2.gz VDDIIOFFTLAZRV-UHFFFAOYSA-N 2 0 338.499 3.455 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001206779534 1371163243 /nfs/dbraw/zinc/16/32/43/1371163243.db2.gz ITJAMYLIGJRSBI-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001206890498 1371209407 /nfs/dbraw/zinc/20/94/07/1371209407.db2.gz VCLJKUWCKFOIHR-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952302 1371242412 /nfs/dbraw/zinc/24/24/12/1371242412.db2.gz IVZCOPMPJGMQHP-VOFKWLDRSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952419 1371243994 /nfs/dbraw/zinc/24/39/94/1371243994.db2.gz OEXZWKKMIGBKQB-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206954921 1371245036 /nfs/dbraw/zinc/24/50/36/1371245036.db2.gz DHTDOXQSPCRHGO-JMKDSLFWSA-N 2 0 335.536 3.042 20 0 EGADRP Cc1ccc(N2C[C@]3(CC[N@@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)cc1 ZINC001207282995 1371350053 /nfs/dbraw/zinc/35/00/53/1371350053.db2.gz ZXPURFQQEYAMAW-OAQYLSRUSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@H+](CC(C)(C)C[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207285178 1371350477 /nfs/dbraw/zinc/35/04/77/1371350477.db2.gz ZZCQCLBNOYKDOF-INIZCTEOSA-N 2 0 341.540 3.294 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288201 1371351367 /nfs/dbraw/zinc/35/13/67/1371351367.db2.gz JIXFKIXRCRBXNO-PMACEKPBSA-N 3 0 329.532 3.028 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@]4(C3)CCCOC4)CC2)cc1 ZINC001207292727 1371352500 /nfs/dbraw/zinc/35/25/00/1371352500.db2.gz XOGAKDULWIIMQC-NRFANRHFSA-N 2 0 328.500 3.401 20 0 EGADRP O=C1CCC[C@@H]2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]12 ZINC001207293939 1371353758 /nfs/dbraw/zinc/35/37/58/1371353758.db2.gz CXZZRLSSVOPQEB-WOJBJXKFSA-N 2 0 326.484 3.200 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001207399127 1371383614 /nfs/dbraw/zinc/38/36/14/1371383614.db2.gz BQQPGLGLVLFGRQ-QFIPXVFZSA-N 3 0 341.543 3.316 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)CC1 ZINC001207398301 1371384344 /nfs/dbraw/zinc/38/43/44/1371384344.db2.gz GMOHVKNOQBIKNM-UHFFFAOYSA-N 2 0 340.471 3.258 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]32)CC1 ZINC001207402945 1371386115 /nfs/dbraw/zinc/38/61/15/1371386115.db2.gz PFOFFCJSKSMMFK-QGZVFWFLSA-N 2 0 349.519 3.317 20 0 EGADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207402097 1371386140 /nfs/dbraw/zinc/38/61/40/1371386140.db2.gz WKNGFPHXKAZOPC-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP COc1cccc(CC[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001207428562 1371393250 /nfs/dbraw/zinc/39/32/50/1371393250.db2.gz HMNUBDXBEZNSGL-UHFFFAOYSA-N 2 0 346.515 3.062 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](CCC2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001207486769 1371410702 /nfs/dbraw/zinc/41/07/02/1371410702.db2.gz CPNCHGDORMETOH-PMACEKPBSA-N 2 0 344.499 3.345 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537675 1371429640 /nfs/dbraw/zinc/42/96/40/1371429640.db2.gz GONHRTUWFGZNQM-FBYXPACISA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617355 1371453225 /nfs/dbraw/zinc/45/32/25/1371453225.db2.gz RNUJAYFSMCANNP-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001326278934 1388140066 /nfs/dbraw/zinc/14/00/66/1388140066.db2.gz ZZZDRVTZPAEMSQ-UHFFFAOYSA-N 2 0 346.425 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120207840 1371504020 /nfs/dbraw/zinc/50/40/20/1371504020.db2.gz IOHRQFPVSHERPS-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014995 1371569419 /nfs/dbraw/zinc/56/94/19/1371569419.db2.gz VRBMJXRQLTWSTH-PWBPZBFBSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048161 1371579619 /nfs/dbraw/zinc/57/96/19/1371579619.db2.gz BYBVMQFTMMQLTN-MOPGFXCFSA-N 2 0 347.547 3.188 20 0 EGADRP CC1(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC001208077496 1371589502 /nfs/dbraw/zinc/58/95/02/1371589502.db2.gz VGJUGUAIYRTUOZ-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP COc1cccc(O[C@H]2CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)c1 ZINC001208106123 1371597147 /nfs/dbraw/zinc/59/71/47/1371597147.db2.gz FVBWPLHVDRKAKE-IBGZPJMESA-N 2 0 332.488 3.270 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208114183 1371600306 /nfs/dbraw/zinc/60/03/06/1371600306.db2.gz TVAYGWLJYRNDTM-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208164007 1371614658 /nfs/dbraw/zinc/61/46/58/1371614658.db2.gz NVYDINYUABRXED-YZBXUTEPSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC1(C[NH+](C)C)CCCC1 ZINC001208189294 1371629942 /nfs/dbraw/zinc/62/99/42/1371629942.db2.gz UDYUZTBLBAARIS-LJQANCHMSA-N 2 0 329.532 3.315 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331874 1371721610 /nfs/dbraw/zinc/72/16/10/1371721610.db2.gz XUOGBEBGNGIURI-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471162 1371780422 /nfs/dbraw/zinc/78/04/22/1371780422.db2.gz PCMRZAFDQUVVCE-INIZCTEOSA-N 2 0 328.460 3.027 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208497823 1371787525 /nfs/dbraw/zinc/78/75/25/1371787525.db2.gz JXUWZYDAJHGGOK-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498461 1371788645 /nfs/dbraw/zinc/78/86/45/1371788645.db2.gz QRTPHXHXKBTXOP-AEFFLSMTSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208564603 1371819206 /nfs/dbraw/zinc/81/92/06/1371819206.db2.gz VIBYUKOMDZBMOM-SJLPKXTDSA-N 2 0 342.487 3.211 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C)[NH+](CC)CC ZINC001208570949 1371821529 /nfs/dbraw/zinc/82/15/29/1371821529.db2.gz DRKSXXQOCSRHOY-RLLQIKCJSA-N 2 0 345.531 3.052 20 0 EGADRP C[NH+]1CCC2(CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208590647 1371831228 /nfs/dbraw/zinc/83/12/28/1371831228.db2.gz FEMHSFDBXSPMQD-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC([NH+]3CCCCC3)C2)cc1 ZINC001208591374 1371831285 /nfs/dbraw/zinc/83/12/85/1371831285.db2.gz JNZNMAUBOLQCQA-HXUWFJFHSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208592855 1371831620 /nfs/dbraw/zinc/83/16/20/1371831620.db2.gz LLVZZGSGLFXBLJ-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001208595177 1371833820 /nfs/dbraw/zinc/83/38/20/1371833820.db2.gz RFFFWCCCYWRWKN-FQEVSTJZSA-N 2 0 344.499 3.316 20 0 EGADRP C(C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1)C1CC1 ZINC001208681214 1371859025 /nfs/dbraw/zinc/85/90/25/1371859025.db2.gz QJEVYKSHLIKHKA-RTWAWAEBSA-N 2 0 332.532 3.247 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001121134158 1371862750 /nfs/dbraw/zinc/86/27/50/1371862750.db2.gz VQAAARWIIAPCBK-PVRWVVQVSA-N 2 0 347.547 3.090 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208771220 1371891247 /nfs/dbraw/zinc/89/12/47/1371891247.db2.gz XIHZDILDONHZBD-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121267481 1371915883 /nfs/dbraw/zinc/91/58/83/1371915883.db2.gz OHDVPVNXAVIAHF-FSTXYZHKSA-N 2 0 349.563 3.336 20 0 EGADRP OCC[C@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208930433 1371949663 /nfs/dbraw/zinc/94/96/63/1371949663.db2.gz BDOAMVITXDWGHB-RTWAWAEBSA-N 2 0 342.527 3.383 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@]1(C)O ZINC001208932875 1371952529 /nfs/dbraw/zinc/95/25/29/1371952529.db2.gz RSMGADHWMMCSMU-NRSPTQNISA-N 2 0 330.516 3.382 20 0 EGADRP F[C@H]1CN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001208965438 1371965315 /nfs/dbraw/zinc/96/53/15/1371965315.db2.gz ZSGMEZLUDKORCL-QHAWAJNXSA-N 2 0 345.506 3.017 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001121474604 1371985470 /nfs/dbraw/zinc/98/54/70/1371985470.db2.gz BPWXVPHCSZYBKN-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP CCOC(C)(C)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001209075072 1371991241 /nfs/dbraw/zinc/99/12/41/1371991241.db2.gz NQTCBHLNGAMKMO-UHFFFAOYSA-N 2 0 346.515 3.169 20 0 EGADRP c1csc(CN2C[C@@H]3C[N@H+](CCCc4cccnc4)C[C@@H]3C2)c1 ZINC001209175040 1372025129 /nfs/dbraw/zinc/02/51/29/1372025129.db2.gz YPECIZRVBFCXQB-HDICACEKSA-N 2 0 327.497 3.140 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001121616239 1372025723 /nfs/dbraw/zinc/02/57/23/1372025723.db2.gz DXQSKSXJDRXMHV-PMRGXDQWSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001121639196 1372032769 /nfs/dbraw/zinc/03/27/69/1372032769.db2.gz OHMAOMNZYUXGHT-YADNIXQGSA-N 2 0 347.503 3.018 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001209323488 1372069782 /nfs/dbraw/zinc/06/97/82/1372069782.db2.gz ITKKTYFPYFTHAC-YLZBSDIZSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001209323487 1372070110 /nfs/dbraw/zinc/07/01/10/1372070110.db2.gz ITKKTYFPYFTHAC-VLUHHTHFSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121767389 1372074894 /nfs/dbraw/zinc/07/48/94/1372074894.db2.gz DLXHVKKVFCWOES-GUYFDXGHSA-N 2 0 349.563 3.314 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C[C@@H]1C[C@H]1C)CC2 ZINC001209414870 1372099660 /nfs/dbraw/zinc/09/96/60/1372099660.db2.gz MYHOHVPVMNZFDC-HBFSDRIKSA-N 2 0 343.515 3.041 20 0 EGADRP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209414376 1372099703 /nfs/dbraw/zinc/09/97/03/1372099703.db2.gz LVQOJIFOTUWLTQ-CZGNIMDHSA-N 2 0 332.532 3.103 20 0 EGADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001209448147 1372107912 /nfs/dbraw/zinc/10/79/12/1372107912.db2.gz NWXXPFWQWLBTCR-QGZVFWFLSA-N 2 0 339.524 3.051 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001209444298 1372108013 /nfs/dbraw/zinc/10/80/13/1372108013.db2.gz FJZULJVIOMYPGP-LJQANCHMSA-N 2 0 345.531 3.016 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC001209450388 1372109727 /nfs/dbraw/zinc/10/97/27/1372109727.db2.gz IFJLPCURGGYQQO-QGZVFWFLSA-N 2 0 339.524 3.242 20 0 EGADRP [NH3+][C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCCCC1 ZINC001326409025 1388179920 /nfs/dbraw/zinc/17/99/20/1388179920.db2.gz PROLJUJPYCWOKG-HXUWFJFHSA-N 2 0 343.515 3.196 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001209560889 1372136860 /nfs/dbraw/zinc/13/68/60/1372136860.db2.gz ALQZGAZGGIFPHB-UYAOXDASSA-N 2 0 349.563 3.435 20 0 EGADRP [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCCC1 ZINC001121971821 1372139127 /nfs/dbraw/zinc/13/91/27/1372139127.db2.gz HKSVOQSTXXFDDG-HOJAQTOUSA-N 2 0 347.547 3.007 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1)[NH+](CC)CC ZINC001209590040 1372145748 /nfs/dbraw/zinc/14/57/48/1372145748.db2.gz RTSLRBLPUSSOMJ-RBUKOAKNSA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC001121997820 1372149104 /nfs/dbraw/zinc/14/91/04/1372149104.db2.gz ZLNMTRDIQPQKFH-YOEHRIQHSA-N 2 0 349.544 3.246 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C)C1)[NH+](CC)CC ZINC001209615994 1372152691 /nfs/dbraw/zinc/15/26/91/1372152691.db2.gz XZZHTZIUCXAUSI-PMACEKPBSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001209632927 1372157046 /nfs/dbraw/zinc/15/70/46/1372157046.db2.gz PETJWGUVXUFHNS-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)cc1Cl ZINC001209668291 1372166123 /nfs/dbraw/zinc/16/61/23/1372166123.db2.gz YGBHACGSRCDVIC-UHFFFAOYSA-N 2 0 326.843 3.405 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122101178 1372174366 /nfs/dbraw/zinc/17/43/66/1372174366.db2.gz HLLXRQJFTKVQNQ-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001122197562 1372199098 /nfs/dbraw/zinc/19/90/98/1372199098.db2.gz NWWUHQYINKPXAI-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133933 1372278191 /nfs/dbraw/zinc/27/81/91/1372278191.db2.gz UONXLEQNYNRKMW-RRFGBZISSA-N 2 0 343.515 3.299 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133930 1372278195 /nfs/dbraw/zinc/27/81/95/1372278195.db2.gz UONXLEQNYNRKMW-KKHYBRAUSA-N 2 0 343.515 3.299 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190981 1372291957 /nfs/dbraw/zinc/29/19/57/1372291957.db2.gz ZAPWMEFZSNRGDD-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210229165 1372300153 /nfs/dbraw/zinc/30/01/53/1372300153.db2.gz MOYGIFCCDASEBS-LOJRPPCJSA-N 2 0 343.515 3.012 20 0 EGADRP Clc1cnc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2c1 ZINC001210267515 1372310377 /nfs/dbraw/zinc/31/03/77/1372310377.db2.gz GYEUHYIATHDYPS-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP Cc1nc2cc(Cl)c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2o1 ZINC001210268789 1372311294 /nfs/dbraw/zinc/31/12/94/1372311294.db2.gz HOMQYMQEISSQGP-UHFFFAOYSA-N 2 0 343.818 3.338 20 0 EGADRP Clc1cnc2cccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)c2c1 ZINC001210267794 1372311521 /nfs/dbraw/zinc/31/15/21/1372311521.db2.gz ORBVKEYLICQQAC-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]CC(C)C)C1 ZINC001210634895 1372396975 /nfs/dbraw/zinc/39/69/75/1372396975.db2.gz UHEMGQCSLZVVAG-SFHVURJKSA-N 2 0 325.541 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750724 1372419332 /nfs/dbraw/zinc/41/93/32/1372419332.db2.gz JBZSRIICPMQEQL-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210781761 1372425631 /nfs/dbraw/zinc/42/56/31/1372425631.db2.gz BZEMCBGAQDPREL-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001210811133 1372430779 /nfs/dbraw/zinc/43/07/79/1372430779.db2.gz JRNSBOXBGGWQBV-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094881 1372484620 /nfs/dbraw/zinc/48/46/20/1372484620.db2.gz WSTUXMNAFUFEQZ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211242019 1372510324 /nfs/dbraw/zinc/51/03/24/1372510324.db2.gz YAZRJVCNFDHDIE-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001211257934 1372514132 /nfs/dbraw/zinc/51/41/32/1372514132.db2.gz XLCDCFVCRDKZBY-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367076 1372541034 /nfs/dbraw/zinc/54/10/34/1372541034.db2.gz NMOGYCCKAVGALC-JMKDSLFWSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366850 1372541292 /nfs/dbraw/zinc/54/12/92/1372541292.db2.gz LZQQMSXHZLHYKF-JCHUFIKGSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371166 1372542328 /nfs/dbraw/zinc/54/23/28/1372542328.db2.gz LBSINRORLUJDPY-ATZDWAIDSA-N 2 0 349.494 3.054 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376109 1372544054 /nfs/dbraw/zinc/54/40/54/1372544054.db2.gz GXYWJHIBHBQFCC-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211377229 1372545106 /nfs/dbraw/zinc/54/51/06/1372545106.db2.gz SRPKPKFPUFBJNX-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001212338692 1372690011 /nfs/dbraw/zinc/69/00/11/1372690011.db2.gz QLRACBANSCJEHC-IBGZPJMESA-N 2 0 337.427 3.102 20 0 EGADRP CC(C)(C(=O)NCC[NH2+]Cc1ccccc1C1CC1)[NH+]1CCCCC1 ZINC001127322740 1373115241 /nfs/dbraw/zinc/11/52/41/1373115241.db2.gz VDXRTGWYJYKXSD-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845336 1373128654 /nfs/dbraw/zinc/12/86/54/1373128654.db2.gz OOQHKOVOLLYAFZ-FBYXPACISA-N 2 0 349.563 3.147 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188139088 1388248335 /nfs/dbraw/zinc/24/83/35/1388248335.db2.gz HXTJNOIGUZJIAX-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215774492 1373236710 /nfs/dbraw/zinc/23/67/10/1373236710.db2.gz QJKDBZPDRKYSQS-ZHALLVOQSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128551115 1373289865 /nfs/dbraw/zinc/28/98/65/1373289865.db2.gz BCMIGECQZYCIND-HNNXBMFYSA-N 2 0 345.512 3.199 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216323592 1373299975 /nfs/dbraw/zinc/29/99/75/1373299975.db2.gz HTIVYOAZRCZTQO-YGUXGDEESA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001216507530 1373312227 /nfs/dbraw/zinc/31/22/27/1373312227.db2.gz ZUYOOFWLSUWUAI-IEBWSBKVSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772800 1373341247 /nfs/dbraw/zinc/34/12/47/1373341247.db2.gz LCPPNYRAGQNFPZ-XOIGSVRCSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001216828227 1373348457 /nfs/dbraw/zinc/34/84/57/1373348457.db2.gz BXRDTZPGABQSJA-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001216964478 1373372557 /nfs/dbraw/zinc/37/25/57/1373372557.db2.gz BBJCTJOWGKQKDH-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(NCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430237 1373383148 /nfs/dbraw/zinc/38/31/48/1373383148.db2.gz PQTPGKDDHCKXMR-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205291 1388263592 /nfs/dbraw/zinc/26/35/92/1388263592.db2.gz JNTUKCULWWTQTP-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]CC1CCC(c2ccccc2)CC1)[NH+](C)C ZINC001130203655 1373473934 /nfs/dbraw/zinc/47/39/34/1373473934.db2.gz RUCOXTVPRPNUDY-LYBXBRPPSA-N 2 0 345.531 3.006 20 0 EGADRP CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@@H]3C[NH2+]C[C@@H]3F)c2C1 ZINC001217997839 1373530953 /nfs/dbraw/zinc/53/09/53/1373530953.db2.gz GSVJFIYGOLLZGA-IMFGXOCKSA-N 2 0 334.479 3.355 20 0 EGADRP CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@@H]3C[NH2+]C[C@@H]3F)c2C1 ZINC001217997841 1373530999 /nfs/dbraw/zinc/53/09/99/1373530999.db2.gz GSVJFIYGOLLZGA-XKGZKEIXSA-N 2 0 334.479 3.355 20 0 EGADRP C[C@@H]1C[C@H](Oc2ccc(C[NH+]3CCCCC3)c3cccnc23)C[NH2+]1 ZINC001218046417 1373547279 /nfs/dbraw/zinc/54/72/79/1373547279.db2.gz OUFUGRGILGPPJR-WBVHZDCISA-N 2 0 325.456 3.350 20 0 EGADRP c1cnc2c(O[C@H]3C[C@H]4C[C@@H]3C[NH2+]4)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218142145 1373568241 /nfs/dbraw/zinc/56/82/41/1373568241.db2.gz QSGWYSISIUNQFH-HLIPFELVSA-N 2 0 337.467 3.350 20 0 EGADRP c1cnc2c(O[C@@H]3CCC34C[NH2+]C4)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218240730 1373581648 /nfs/dbraw/zinc/58/16/48/1373581648.db2.gz OTNQYUDYVVKEIE-LJQANCHMSA-N 2 0 337.467 3.352 20 0 EGADRP CC[C@]1(c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)c2)CCCC[N@H+](C)C1 ZINC001218331021 1373598486 /nfs/dbraw/zinc/59/84/86/1373598486.db2.gz PIQXGRBFPITBFM-OTNPHJDUSA-N 2 0 328.500 3.437 20 0 EGADRP N[C@@H](C[NH3+])c1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1 ZINC001218525373 1373629848 /nfs/dbraw/zinc/62/98/48/1373629848.db2.gz YQYHACHCVWDIFV-HNNXBMFYSA-N 2 0 338.436 3.021 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)C(C)C ZINC001221876671 1373800831 /nfs/dbraw/zinc/80/08/31/1373800831.db2.gz NTYWHHAXNVDYTH-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP c1cc(Oc2ccccc2)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)s1 ZINC001222094672 1373816561 /nfs/dbraw/zinc/81/65/61/1373816561.db2.gz IPWVOHVTZZIKCQ-UHFFFAOYSA-N 2 0 343.496 3.068 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+]CCC1=CCCCC1)C1CCCCC1 ZINC001131815655 1373819410 /nfs/dbraw/zinc/81/94/10/1373819410.db2.gz NPRZITNFHPMBTE-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+]C/C=C\c1ccccc1)C1CCCCC1 ZINC001131815796 1373819959 /nfs/dbraw/zinc/81/99/59/1373819959.db2.gz ULABPPGJNULQOF-FLIBITNWSA-N 2 0 343.515 3.060 20 0 EGADRP c1cc(CN2CC[NH2+]CC2)cc(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC001222400632 1373836875 /nfs/dbraw/zinc/83/68/75/1373836875.db2.gz BSHVLXQQFKIABS-UHFFFAOYSA-N 2 0 327.516 3.248 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCc3c[nH]cn3)CCC2)C1 ZINC001326835197 1388325699 /nfs/dbraw/zinc/32/56/99/1388325699.db2.gz SAHDQWWGNSBOHZ-IRXDYDNUSA-N 2 0 346.519 3.187 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664267 1388356827 /nfs/dbraw/zinc/35/68/27/1388356827.db2.gz JHWDCDVPUMRRKL-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCc2ncc[nH]2)C[N@@H+]1CCC1CCCCC1 ZINC001132024970 1375104743 /nfs/dbraw/zinc/10/47/43/1375104743.db2.gz KWEYYDCXNHOVLS-SJLPKXTDSA-N 2 0 346.519 3.282 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132105766 1375150841 /nfs/dbraw/zinc/15/08/41/1375150841.db2.gz MMFBQKVCSHOIPL-WMZOPIPTSA-N 2 0 347.547 3.020 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107493 1375151185 /nfs/dbraw/zinc/15/11/85/1375151185.db2.gz ZMBNXLOKCJBLBX-KBSZCIAZSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CC1CC1 ZINC001132142142 1375168398 /nfs/dbraw/zinc/16/83/98/1375168398.db2.gz YAKGQLNNURHLGC-DOTOQJQBSA-N 2 0 335.536 3.019 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132203345 1375207286 /nfs/dbraw/zinc/20/72/86/1375207286.db2.gz ORSAMPFBPSXWJE-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001226162134 1375213993 /nfs/dbraw/zinc/21/39/93/1375213993.db2.gz XABYXMLANWRFSF-UWCDRFHNSA-N 2 0 335.536 3.233 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297430 1375235103 /nfs/dbraw/zinc/23/51/03/1375235103.db2.gz VLVRFNXZZXNGEL-RDSHDKLTSA-N 2 0 347.547 3.092 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1C ZINC001132269194 1375257846 /nfs/dbraw/zinc/25/78/46/1375257846.db2.gz GPZKDCCQCLWEFY-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132269484 1375258103 /nfs/dbraw/zinc/25/81/03/1375258103.db2.gz KOEGCZANTSDIOC-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309770 1375288660 /nfs/dbraw/zinc/28/86/60/1375288660.db2.gz DDJFLPLXRZQBIX-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CCCCCF ZINC001132311705 1375289338 /nfs/dbraw/zinc/28/93/38/1375289338.db2.gz WYYUCYWBCLMONO-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132339888 1375317841 /nfs/dbraw/zinc/31/78/41/1375317841.db2.gz KZPNEVLAILHFDR-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340055 1375319667 /nfs/dbraw/zinc/31/96/67/1375319667.db2.gz MFPUJHMFWFZXIH-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC=C(C)C)C1 ZINC001132365744 1375329489 /nfs/dbraw/zinc/32/94/89/1375329489.db2.gz PQWPFBLNGRXADI-RBUKOAKNSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132411029 1375359705 /nfs/dbraw/zinc/35/97/05/1375359705.db2.gz RYBPQUUUVPOCMN-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132436265 1375380986 /nfs/dbraw/zinc/38/09/86/1375380986.db2.gz JRPYDWZHMIVVAT-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001227047346 1375382516 /nfs/dbraw/zinc/38/25/16/1375382516.db2.gz DXXXJXALIYDRCA-SUSGLTGUSA-N 2 0 343.515 3.057 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132494659 1375424148 /nfs/dbraw/zinc/42/41/48/1375424148.db2.gz VSLXUCIUOSIOHB-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCCC1CCC1 ZINC001132518758 1375437194 /nfs/dbraw/zinc/43/71/94/1375437194.db2.gz NTMDIMLAZMCVLZ-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132521853 1375438038 /nfs/dbraw/zinc/43/80/38/1375438038.db2.gz IBABVRWLHFKOAV-QQXWZLKESA-N 2 0 343.515 3.009 20 0 EGADRP Cc1cccc(C)c1C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132521300 1375438694 /nfs/dbraw/zinc/43/86/94/1375438694.db2.gz BGMWXZRNYVWZIP-RBUKOAKNSA-N 2 0 345.531 3.113 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001227619315 1375454445 /nfs/dbraw/zinc/45/44/45/1375454445.db2.gz OLJIJFVWBSTKQW-AATRIKPKSA-N 2 0 349.544 3.360 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001227876993 1375485779 /nfs/dbraw/zinc/48/57/79/1375485779.db2.gz MYJYPICRPUGABS-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227877423 1375485980 /nfs/dbraw/zinc/48/59/80/1375485980.db2.gz ROQJSSABHQAQMC-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C)c1ccc(F)cc1 ZINC001228254888 1375534923 /nfs/dbraw/zinc/53/49/23/1375534923.db2.gz LFRATYPEHNTCQF-KFKAGJAMSA-N 2 0 349.494 3.246 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001228266590 1375537223 /nfs/dbraw/zinc/53/72/23/1375537223.db2.gz XZLVUVHTJQLMRV-SNAWJCMRSA-N 2 0 340.471 3.275 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001132739561 1375539345 /nfs/dbraw/zinc/53/93/45/1375539345.db2.gz RVVXSKNLOCZZAG-HKUYNNGSSA-N 2 0 349.494 3.105 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001228355789 1375555617 /nfs/dbraw/zinc/55/56/17/1375555617.db2.gz UXVHVNFMNQOZID-IPMKNSEASA-N 2 0 349.494 3.246 20 0 EGADRP CC1CC(C[NH+]2CCC(NC(=O)C3(C[NH+](C)C)CCCCC3)CC2)C1 ZINC001228440128 1375573109 /nfs/dbraw/zinc/57/31/09/1375573109.db2.gz CXGFEZFIZOCMSP-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132887579 1375625724 /nfs/dbraw/zinc/62/57/24/1375625724.db2.gz GHQVZGQCZKWHNL-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133010797 1375708349 /nfs/dbraw/zinc/70/83/49/1375708349.db2.gz BIMBFYLWLDHRGC-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CC[NH+](CCC2CCCCCC2)CC1 ZINC001228904529 1375710033 /nfs/dbraw/zinc/71/00/33/1375710033.db2.gz KYBAHUIFYNRKSS-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001228931876 1375719378 /nfs/dbraw/zinc/71/93/78/1375719378.db2.gz FOLRVFKDZDHEIT-RTBURBONSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001229058583 1375754239 /nfs/dbraw/zinc/75/42/39/1375754239.db2.gz RTZYGIUPYHDVNJ-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](CCCC(C)C)CC1)[NH+](CC)CC ZINC001229171680 1375780061 /nfs/dbraw/zinc/78/00/61/1375780061.db2.gz QKKCRDCOFUTJTI-SFHVURJKSA-N 2 0 325.541 3.124 20 0 EGADRP CCC(CC)C[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001229171976 1375780523 /nfs/dbraw/zinc/78/05/23/1375780523.db2.gz STNCPHMNRACWSG-SFHVURJKSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)cc(C)c1 ZINC001229215083 1375788885 /nfs/dbraw/zinc/78/88/85/1375788885.db2.gz VFMVXQVYQYYXAS-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001229288270 1375802672 /nfs/dbraw/zinc/80/26/72/1375802672.db2.gz ZIMFBFXZLASSIX-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213157 1375844633 /nfs/dbraw/zinc/84/46/33/1375844633.db2.gz JHMWTHYJEZDHRP-QUCCMNQESA-N 2 0 349.563 3.147 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC001229496845 1375846576 /nfs/dbraw/zinc/84/65/76/1375846576.db2.gz WIHRLPWEIPZNDD-KFKAGJAMSA-N 2 0 349.494 3.246 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133250552 1375869926 /nfs/dbraw/zinc/86/99/26/1375869926.db2.gz YKFKORKTPHQPQS-DLBZAZTESA-N 2 0 346.519 3.026 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CCCC(C)C)CC1)C(C)C ZINC001229655552 1375873139 /nfs/dbraw/zinc/87/31/39/1375873139.db2.gz MRKPSSUMVZQMHJ-IBGZPJMESA-N 2 0 339.568 3.370 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001230035476 1375934191 /nfs/dbraw/zinc/93/41/91/1375934191.db2.gz WFFSWAHOJQCIKC-UCHJRYNZSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133347582 1375935596 /nfs/dbraw/zinc/93/55/96/1375935596.db2.gz XUBCGPRIOGEUKX-TYFAACHXSA-N 2 0 337.552 3.147 20 0 EGADRP Cc1ccc(C[NH+]2CCC(NC(=O)CCCC[NH+](C)C)CC2)c(C)c1 ZINC001230094337 1375942224 /nfs/dbraw/zinc/94/22/24/1375942224.db2.gz SXHFINMUWCYUEE-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001230274729 1375980963 /nfs/dbraw/zinc/98/09/63/1375980963.db2.gz IDXZGVVCBHBJSV-KFKAGJAMSA-N 2 0 349.494 3.244 20 0 EGADRP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)[NH+](C)C ZINC001133405600 1375990344 /nfs/dbraw/zinc/99/03/44/1375990344.db2.gz HOHYHYSWHJQIGK-KRWDZBQOSA-N 2 0 339.911 3.008 20 0 EGADRP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001133405677 1375991640 /nfs/dbraw/zinc/99/16/40/1375991640.db2.gz KYLNNOGQRMPFBI-UHFFFAOYSA-N 2 0 339.911 3.010 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001230353366 1376006530 /nfs/dbraw/zinc/00/65/30/1376006530.db2.gz TYSBINVIRWVJEC-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001230378595 1376011331 /nfs/dbraw/zinc/01/13/31/1376011331.db2.gz QKGAKIDJBPAWFI-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230516777 1376048446 /nfs/dbraw/zinc/04/84/46/1376048446.db2.gz UJGKJLNRNRHXLM-LIRRHRJNSA-N 2 0 336.439 3.435 20 0 EGADRP Nc1[nH]c2ccc(O[C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)cc2[nH+]1 ZINC001230518913 1376051474 /nfs/dbraw/zinc/05/14/74/1376051474.db2.gz WCMIESUEIHZOLP-OAHLLOKOSA-N 2 0 342.830 3.452 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230537426 1376060569 /nfs/dbraw/zinc/06/05/69/1376060569.db2.gz GKZAMOVHULPOEG-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001327171989 1388420450 /nfs/dbraw/zinc/42/04/50/1388420450.db2.gz IQJKTQMKFJHPCD-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ncccc1Cl ZINC001231958909 1376362593 /nfs/dbraw/zinc/36/25/93/1376362593.db2.gz IIIXMNLCLZUDAO-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP c1csc(C[N@@H+]2C[C@H]3CN(Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)c1 ZINC001232013091 1376381719 /nfs/dbraw/zinc/38/17/19/1376381719.db2.gz XTARYKCCIPMIMV-IYBDPMFKSA-N 2 0 338.480 3.188 20 0 EGADRP COc1cccc2[nH]cc(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)c21 ZINC001232039986 1376387348 /nfs/dbraw/zinc/38/73/48/1376387348.db2.gz PHPCFCXWNKEFDU-UHFFFAOYSA-N 2 0 336.439 3.202 20 0 EGADRP C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232366650 1376451217 /nfs/dbraw/zinc/45/12/17/1376451217.db2.gz OCWIEWNHZIRCDY-UHFFFAOYSA-N 2 0 344.890 3.119 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(-n4cccn4)cc3Cl)C2)CC1 ZINC001232595674 1376486248 /nfs/dbraw/zinc/48/62/48/1376486248.db2.gz HDWFUVPLUJSTFB-UHFFFAOYSA-N 2 0 344.890 3.443 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370078 1376498716 /nfs/dbraw/zinc/49/87/16/1376498716.db2.gz XEWYEZAAJSKEDT-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134584145 1376608088 /nfs/dbraw/zinc/60/80/88/1376608088.db2.gz QWIZSPPWYJNELT-IAGOWNOFSA-N 2 0 345.531 3.106 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109820 1388459801 /nfs/dbraw/zinc/45/98/01/1388459801.db2.gz FUMYKBFTGJEEKT-MXTREEOPSA-N 2 0 349.563 3.386 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001134773474 1376713356 /nfs/dbraw/zinc/71/33/56/1376713356.db2.gz PLMPMQQAYSJBLV-IAGOWNOFSA-N 2 0 337.552 3.480 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891016 1376770166 /nfs/dbraw/zinc/77/01/66/1376770166.db2.gz BKXXOWQZIQDVPT-HOTGVXAUSA-N 2 0 342.487 3.401 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235243268 1376862018 /nfs/dbraw/zinc/86/20/18/1376862018.db2.gz WQNVYOHFAWWGLU-XTXLJPNXSA-N 2 0 342.483 3.227 20 0 EGADRP FC(F)C(F)(F)Oc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1 ZINC001235339185 1376869186 /nfs/dbraw/zinc/86/91/86/1376869186.db2.gz IJJCAEHIMREYNF-UHFFFAOYSA-N 2 0 346.368 3.355 20 0 EGADRP Brc1ccoc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427723 1376869693 /nfs/dbraw/zinc/86/96/93/1376869693.db2.gz NAUSVEUGKKBDMH-CHWSQXEVSA-N 2 0 327.266 3.254 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102319 1376900093 /nfs/dbraw/zinc/90/00/93/1376900093.db2.gz YNMCILVDNMIUGA-ZWKOTPCHSA-N 2 0 347.547 3.467 20 0 EGADRP CCSc1ncc2cccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n21 ZINC001235887788 1376911452 /nfs/dbraw/zinc/91/14/52/1376911452.db2.gz HZNYCXPXDRWKIE-GOSISDBHSA-N 2 0 344.528 3.410 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001327258629 1388469392 /nfs/dbraw/zinc/46/93/92/1388469392.db2.gz SSBFYBXHYPRVQB-AZUAARDMSA-N 2 0 347.547 3.423 20 0 EGADRP Clc1ccccc1CN(CC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001236449761 1376953153 /nfs/dbraw/zinc/95/31/53/1376953153.db2.gz AJKPDWMZCIUEFS-INIZCTEOSA-N 2 0 335.923 3.284 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180489 1376953426 /nfs/dbraw/zinc/95/34/26/1376953426.db2.gz HZASKWLQBZFWOW-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@@H+](Cc1c[nH]c2cc(C(=O)OCC)ccc12)C[C@H]1CC[NH2+]C1 ZINC001236843275 1376965645 /nfs/dbraw/zinc/96/56/45/1376965645.db2.gz GQBIHANRWVFBLN-HNNXBMFYSA-N 2 0 343.471 3.166 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc(-n4ccnn4)cc3)c2)CC1 ZINC001242417702 1377023562 /nfs/dbraw/zinc/02/35/62/1377023562.db2.gz UQGBGSSZIXZYCG-UHFFFAOYSA-N 2 0 347.466 3.105 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298106 1377025975 /nfs/dbraw/zinc/02/59/75/1377025975.db2.gz KMILGVWIJXJKQA-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135299512 1377026897 /nfs/dbraw/zinc/02/68/97/1377026897.db2.gz XJSQVFJCHVSBFO-HOTGVXAUSA-N 2 0 349.519 3.408 20 0 EGADRP Cc1ccc(CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135315085 1377033738 /nfs/dbraw/zinc/03/37/38/1377033738.db2.gz LDIXBBKQMHYLTE-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCC[NH+](C)C ZINC001135316324 1377034430 /nfs/dbraw/zinc/03/44/30/1377034430.db2.gz UEVNTMHPADTNRU-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001135337253 1377044873 /nfs/dbraw/zinc/04/48/73/1377044873.db2.gz XTMILBXLAOXBMH-ROUUACIJSA-N 2 0 345.531 3.284 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135341398 1377046506 /nfs/dbraw/zinc/04/65/06/1377046506.db2.gz VAKBRKSOFFVTST-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP c1ccc(Oc2ccc(CC[NH2+][C@@H]3CSC4(C[NH2+]C4)C3)cc2)cc1 ZINC001246157223 1377050306 /nfs/dbraw/zinc/05/03/06/1377050306.db2.gz ATWLAXRCFKGQKS-KRWDZBQOSA-N 2 0 340.492 3.459 20 0 EGADRP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3COc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246379461 1377051665 /nfs/dbraw/zinc/05/16/65/1377051665.db2.gz NXCSRJNEAIBMMA-HMXCVIKNSA-N 2 0 336.479 3.191 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@](F)(C[NH3+])CC3)CCO2)cc1 ZINC001246546385 1377052341 /nfs/dbraw/zinc/05/23/41/1377052341.db2.gz GHMWBKOLBCGKOK-NZSAHSFTSA-N 2 0 336.451 3.068 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764437 1377054319 /nfs/dbraw/zinc/05/43/19/1377054319.db2.gz GPZDFOJJDCTZHO-NHUSPQTBSA-N 2 0 327.516 3.237 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937393 1377055738 /nfs/dbraw/zinc/05/57/38/1377055738.db2.gz MBFZQDFDEUVBAY-AOIWGVFYSA-N 2 0 336.520 3.353 20 0 EGADRP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@@H]2CC3CCN(CC3)C2)cc1 ZINC001246938963 1377055892 /nfs/dbraw/zinc/05/58/92/1377055892.db2.gz QMTTZGDTVFLISB-OAQYLSRUSA-N 2 0 345.506 3.112 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1cccc2ccccc21)NC(=O)CC[NH+](C)C ZINC001135371270 1377059873 /nfs/dbraw/zinc/05/98/73/1377059873.db2.gz DWXRMZICMBFTMF-DLBZAZTESA-N 2 0 341.499 3.164 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001135379029 1377063838 /nfs/dbraw/zinc/06/38/38/1377063838.db2.gz OIRHTWSHCYVQPA-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@H]1CCCc2ccccc21 ZINC001327277352 1388478121 /nfs/dbraw/zinc/47/81/21/1388478121.db2.gz PFWAVIXDOGIESG-FQEVSTJZSA-N 2 0 345.531 3.186 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cc2ccccc2o1 ZINC001135437030 1377097063 /nfs/dbraw/zinc/09/70/63/1377097063.db2.gz KHYDFMNJKQQEMR-UHFFFAOYSA-N 2 0 345.487 3.151 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477480 1377111467 /nfs/dbraw/zinc/11/14/67/1377111467.db2.gz VNGFZBHRSHFUCN-VEUZHWNKSA-N 2 0 325.541 3.194 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481763 1377114002 /nfs/dbraw/zinc/11/40/02/1377114002.db2.gz WXMPTOXPNHJHCL-HZPDHXFCSA-N 2 0 339.568 3.273 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614276 1377162316 /nfs/dbraw/zinc/16/23/16/1377162316.db2.gz PUYFEMYSOWPCGM-ZWKOTPCHSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676580 1377180964 /nfs/dbraw/zinc/18/09/64/1377180964.db2.gz YVTPYSWIIYQXFH-DLBZAZTESA-N 2 0 333.520 3.281 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135705303 1377190189 /nfs/dbraw/zinc/19/01/89/1377190189.db2.gz ABQGLXAMDWQMRQ-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135706638 1377190856 /nfs/dbraw/zinc/19/08/56/1377190856.db2.gz XVTFSISLGGNUGL-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135743544 1377198845 /nfs/dbraw/zinc/19/88/45/1377198845.db2.gz MCFIUCGAERDCNK-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001266182443 1377219019 /nfs/dbraw/zinc/21/90/19/1377219019.db2.gz IECMFKINYRGSSW-DNVCBOLYSA-N 2 0 349.494 3.029 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823677 1377222311 /nfs/dbraw/zinc/22/23/11/1377222311.db2.gz FSIVGSZTSZXPFO-JKCVZHOFSA-N 2 0 337.552 3.336 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135861382 1377238674 /nfs/dbraw/zinc/23/86/74/1377238674.db2.gz PZXZREJPKYRZNU-DLBZAZTESA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001135926012 1377265207 /nfs/dbraw/zinc/26/52/07/1377265207.db2.gz AQYMSQURLJTLFX-VQTJNVASSA-N 2 0 345.531 3.090 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935488 1377269004 /nfs/dbraw/zinc/26/90/04/1377269004.db2.gz UMQYZUPPOPIEGU-HOTGVXAUSA-N 2 0 344.503 3.135 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944523 1377272388 /nfs/dbraw/zinc/27/23/88/1377272388.db2.gz LADHUAQEIAPYRB-GJZGRUSLSA-N 2 0 334.508 3.070 20 0 EGADRP Cc1cc(C)cc(C[NH+](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001266332061 1377277801 /nfs/dbraw/zinc/27/78/01/1377277801.db2.gz ATVMUWZHDJLXJR-FQEVSTJZSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1C ZINC001135973737 1377282373 /nfs/dbraw/zinc/28/23/73/1377282373.db2.gz CSLRLGZIXFICJH-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135977791 1377285109 /nfs/dbraw/zinc/28/51/09/1377285109.db2.gz ZFUQWTQHKILWNO-HZPDHXFCSA-N 2 0 345.487 3.148 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC)cc1 ZINC001135981000 1377285771 /nfs/dbraw/zinc/28/57/71/1377285771.db2.gz VYUXXEIFJDJTTD-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135980932 1377286204 /nfs/dbraw/zinc/28/62/04/1377286204.db2.gz VBMYUCSHLRKLTB-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001136759338 1377420753 /nfs/dbraw/zinc/42/07/53/1377420753.db2.gz CMAYZWXJIHPNCZ-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(C)cc2C)CCCC1)[NH+](C)C ZINC001267841387 1377473986 /nfs/dbraw/zinc/47/39/86/1377473986.db2.gz RZHAWUPERYKYHP-IBGZPJMESA-N 2 0 345.531 3.162 20 0 EGADRP Cc1cccc2ncc(C[N@H+](C3CCCC3)C3CCN(C)CC3)n21 ZINC001137200281 1377496114 /nfs/dbraw/zinc/49/61/14/1377496114.db2.gz ZMXNMPLNLJVDNM-UHFFFAOYSA-N 2 0 326.488 3.482 20 0 EGADRP CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC1CCCCCC1 ZINC001268224317 1377497758 /nfs/dbraw/zinc/49/77/58/1377497758.db2.gz SBMOMTDNXISVER-OALUTQOASA-N 2 0 339.568 3.273 20 0 EGADRP CCC/C=C/CC(=O)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001268984695 1377535440 /nfs/dbraw/zinc/53/54/40/1377535440.db2.gz TZXOVKZSCGJDAM-UHDDOPSISA-N 2 0 344.503 3.181 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)c2ccccc12 ZINC001138015750 1377665972 /nfs/dbraw/zinc/66/59/72/1377665972.db2.gz QCURIQGZJBGKHG-UHFFFAOYSA-N 2 0 342.483 3.465 20 0 EGADRP C[C@H]1CCc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)sc2C1 ZINC001327386704 1388509467 /nfs/dbraw/zinc/50/94/67/1388509467.db2.gz MGCJJRVBPASSNA-HOCLYGCPSA-N 2 0 333.545 3.480 20 0 EGADRP CCOc1ccc(C[NH+]2CCN(CCC[NH+](CC)CC)CC2)c(C)c1 ZINC001138434914 1377723738 /nfs/dbraw/zinc/72/37/38/1377723738.db2.gz CCTUNITZKBLWTK-UHFFFAOYSA-N 2 0 347.547 3.243 20 0 EGADRP Cc1nccn1-c1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001138550047 1377740474 /nfs/dbraw/zinc/74/04/74/1377740474.db2.gz IYFPUVVBZZXGCW-UHFFFAOYSA-N 2 0 347.466 3.206 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC001138601347 1377750868 /nfs/dbraw/zinc/75/08/68/1377750868.db2.gz FJPQRXGLOMSPHK-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC001138885520 1377799303 /nfs/dbraw/zinc/79/93/03/1377799303.db2.gz RHEDFDKQMFZHHS-UHFFFAOYSA-N 2 0 328.435 3.134 20 0 EGADRP Cn1ccc2c1cccc2CN1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001139159661 1377841808 /nfs/dbraw/zinc/84/18/08/1377841808.db2.gz NAAKPFRKJWJNFN-UHFFFAOYSA-N 2 0 341.499 3.254 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001139463480 1377886705 /nfs/dbraw/zinc/88/67/05/1377886705.db2.gz CFGNBACYXSNTQX-UHFFFAOYSA-N 2 0 343.471 3.118 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 ZINC001139540094 1377900525 /nfs/dbraw/zinc/90/05/25/1377900525.db2.gz CTQXQDOHUQNXJX-INIZCTEOSA-N 2 0 338.377 3.109 20 0 EGADRP Cc1cc(O)cc(C)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001139711079 1377939112 /nfs/dbraw/zinc/93/91/12/1377939112.db2.gz AJAKUZBNTDLKPB-UHFFFAOYSA-N 2 0 346.515 3.333 20 0 EGADRP Fc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)ccn1 ZINC001139832951 1377959321 /nfs/dbraw/zinc/95/93/21/1377959321.db2.gz VNTXGLXAVNKMTL-UHFFFAOYSA-N 2 0 329.419 3.302 20 0 EGADRP COC(=O)Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140653442 1378106469 /nfs/dbraw/zinc/10/64/69/1378106469.db2.gz LCCHAVHIQRISKW-HXUWFJFHSA-N 2 0 344.499 3.243 20 0 EGADRP COc1cc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)ccc1O ZINC001275894716 1378161096 /nfs/dbraw/zinc/16/10/96/1378161096.db2.gz KXFLMFPZFNWMDR-UHFFFAOYSA-N 2 0 330.472 3.241 20 0 EGADRP Cc1nccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140939472 1378186031 /nfs/dbraw/zinc/18/60/31/1378186031.db2.gz MWAYPKSZBFBIQU-VQTJNVASSA-N 2 0 336.483 3.129 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001140968091 1378196237 /nfs/dbraw/zinc/19/62/37/1378196237.db2.gz GOTMMCJDXAAEKJ-QGZVFWFLSA-N 2 0 341.421 3.008 20 0 EGADRP COc1ccc(C[N@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001140969981 1378196565 /nfs/dbraw/zinc/19/65/65/1378196565.db2.gz BECZLPLGPDQZCH-UHFFFAOYSA-N 2 0 339.483 3.079 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001278020827 1378254775 /nfs/dbraw/zinc/25/47/75/1378254775.db2.gz FFBRTURFUCHLJQ-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001280761372 1378369952 /nfs/dbraw/zinc/36/99/52/1378369952.db2.gz XCVHAMSJFHSEIP-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP Cn1cc2c(cccc2C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001142456457 1378444133 /nfs/dbraw/zinc/44/41/33/1378444133.db2.gz LRZZAEKENARWMP-GOSISDBHSA-N 2 0 326.488 3.414 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001142623355 1378465740 /nfs/dbraw/zinc/46/57/40/1378465740.db2.gz ZKNZRGXNKWUWBG-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001143897866 1378657793 /nfs/dbraw/zinc/65/77/93/1378657793.db2.gz JKERTHWFZVXZEY-UHFFFAOYSA-N 2 0 326.843 3.405 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(Cl)ccc(F)c1F ZINC001143958252 1378663564 /nfs/dbraw/zinc/66/35/64/1378663564.db2.gz AUAPHLCMZPMJAB-UHFFFAOYSA-N 2 0 347.881 3.324 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001144205400 1378699100 /nfs/dbraw/zinc/69/91/00/1378699100.db2.gz SQOMSNDCQQTTOZ-GOSISDBHSA-N 2 0 335.536 3.116 20 0 EGADRP CCc1ccccc1C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001283324779 1378809171 /nfs/dbraw/zinc/80/91/71/1378809171.db2.gz DZOGYDCQPYSYQJ-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CC[C@H](C(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1)[NH+](C)C ZINC001283341169 1378825161 /nfs/dbraw/zinc/82/51/61/1378825161.db2.gz VLVOPGNLSCIBQM-QGZVFWFLSA-N 2 0 325.541 3.076 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146535323 1378862811 /nfs/dbraw/zinc/86/28/11/1378862811.db2.gz MDGSLTMCYQMDBS-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001146593200 1378873448 /nfs/dbraw/zinc/87/34/48/1378873448.db2.gz OMUPKKYFQRKQPI-CABCVRRESA-N 2 0 339.911 3.053 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146602359 1378875701 /nfs/dbraw/zinc/87/57/01/1378875701.db2.gz SITYRBUWBOMEFF-IRXDYDNUSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146608735 1378876402 /nfs/dbraw/zinc/87/64/02/1378876402.db2.gz AZHVFMJRUWYKTR-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001146613162 1378877947 /nfs/dbraw/zinc/87/79/47/1378877947.db2.gz RMCVZMWNMXJCAN-MSOLQXFVSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001146612583 1378878208 /nfs/dbraw/zinc/87/82/08/1378878208.db2.gz QHANFGAADJPEMT-IAGOWNOFSA-N 2 0 349.494 3.075 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(C)C)o1 ZINC001146698974 1378899706 /nfs/dbraw/zinc/89/97/06/1378899706.db2.gz AZIQACIKMXSKMJ-JKSUJKDBSA-N 2 0 337.508 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001147359184 1379008674 /nfs/dbraw/zinc/00/86/74/1379008674.db2.gz NGVSXOBUIJXPMX-CTWPCTMYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001147359180 1379008685 /nfs/dbraw/zinc/00/86/85/1379008685.db2.gz NGDDQJYJXDGUDY-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001147658674 1379056885 /nfs/dbraw/zinc/05/68/85/1379056885.db2.gz WYBALOBCZJEGLU-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c(C(=O)N(C)C[C@@H](C)[NH2+]CC2CCCCC2)ccc2c[nH+]cn21 ZINC001283630563 1379066775 /nfs/dbraw/zinc/06/67/75/1379066775.db2.gz QCVPOYGWVUPLPF-OAHLLOKOSA-N 2 0 342.487 3.273 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147741995 1379070122 /nfs/dbraw/zinc/07/01/22/1379070122.db2.gz CRDUWJOFKXZLAY-VOFKWLDRSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001147852262 1379090018 /nfs/dbraw/zinc/09/00/18/1379090018.db2.gz ZZYDDRCPJNRNBT-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017509 1379106783 /nfs/dbraw/zinc/10/67/83/1379106783.db2.gz QSWPNGGCCXDPQW-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)C(C)C ZINC001148477271 1379181001 /nfs/dbraw/zinc/18/10/01/1379181001.db2.gz OYDUKOCTULJYPC-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC001148578970 1379216314 /nfs/dbraw/zinc/21/63/14/1379216314.db2.gz YBPYSLJWBHUMBS-QGZVFWFLSA-N 2 0 339.911 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001148578481 1379216386 /nfs/dbraw/zinc/21/63/86/1379216386.db2.gz VBSQGOPRZOEION-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001149137520 1379331581 /nfs/dbraw/zinc/33/15/81/1379331581.db2.gz CJEPNRHJJQNCEE-AZUAARDMSA-N 2 0 345.531 3.278 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001284016977 1379365887 /nfs/dbraw/zinc/36/58/87/1379365887.db2.gz LIKCTENANKLYLD-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCCC1CCCC1)[NH+]1CCCCC1 ZINC001152479291 1379940642 /nfs/dbraw/zinc/94/06/42/1379940642.db2.gz DOLCDPBSVSTIBF-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313725 1380054195 /nfs/dbraw/zinc/05/41/95/1380054195.db2.gz VQZWTPKQQUCOQC-SJLPKXTDSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001153302393 1380051304 /nfs/dbraw/zinc/05/13/04/1380051304.db2.gz UQQVKTRLQKTQGP-OALUTQOASA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC001153314871 1380054635 /nfs/dbraw/zinc/05/46/35/1380054635.db2.gz QWWYJMWOEKORFY-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC1(C)CCC(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001153314362 1380054827 /nfs/dbraw/zinc/05/48/27/1380054827.db2.gz JQPAQUOVTGBXTQ-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001153315105 1380054870 /nfs/dbraw/zinc/05/48/70/1380054870.db2.gz XWSOBEPBQNFJPB-QCDXTXTGSA-N 2 0 343.515 3.062 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCCCC1 ZINC001153721029 1380119062 /nfs/dbraw/zinc/11/90/62/1380119062.db2.gz RLEFHBJNPFPNPF-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C ZINC001153727610 1380119458 /nfs/dbraw/zinc/11/94/58/1380119458.db2.gz DSGJFQBWVWWCAF-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880083 1380148852 /nfs/dbraw/zinc/14/88/52/1380148852.db2.gz WZFJETIEIWARNH-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990770 1380172357 /nfs/dbraw/zinc/17/23/57/1380172357.db2.gz QZIHHZVYPROBKZ-IPLHWJFFSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123421 1380212995 /nfs/dbraw/zinc/21/29/95/1380212995.db2.gz ZCAYXTWJYAACFY-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455687 1380281093 /nfs/dbraw/zinc/28/10/93/1380281093.db2.gz ZWILBCDQRDEUPG-IIFCEKJISA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888838 1380373736 /nfs/dbraw/zinc/37/37/36/1380373736.db2.gz VZCSIIUFNDWGIV-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CC[N@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903781 1380374671 /nfs/dbraw/zinc/37/46/71/1380374671.db2.gz DBGOJWVPIOOSAI-OAHLLOKOSA-N 2 0 339.911 3.008 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023951 1380393122 /nfs/dbraw/zinc/39/31/22/1380393122.db2.gz PEBNWWPXVUNDFF-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226685 1380426719 /nfs/dbraw/zinc/42/67/19/1380426719.db2.gz NGEJLVGVTYRZPV-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001155811893 1380494404 /nfs/dbraw/zinc/49/44/04/1380494404.db2.gz LIAZCVYRYCMJLQ-QFBILLFUSA-N 2 0 345.531 3.235 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)C1 ZINC001155877660 1380501841 /nfs/dbraw/zinc/50/18/41/1380501841.db2.gz DEKLWOJMMHIPGL-JLAWEPINSA-N 2 0 339.568 3.371 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C/Cl ZINC001156306969 1380555235 /nfs/dbraw/zinc/55/52/35/1380555235.db2.gz YIPXUFHXBXEEEJ-YVKRRXEKSA-N 2 0 343.943 3.220 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341580 1380561502 /nfs/dbraw/zinc/56/15/02/1380561502.db2.gz JSVJGQOPZROXNM-NQIIRXRSSA-N 2 0 347.547 3.336 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098652 1380775225 /nfs/dbraw/zinc/77/52/25/1380775225.db2.gz QZELJCRKNQJAJC-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098640 1380775182 /nfs/dbraw/zinc/77/51/82/1380775182.db2.gz PWVFTFGIKTWRAU-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255802 1380824970 /nfs/dbraw/zinc/82/49/70/1380824970.db2.gz LUSVIHFMUJXZLF-LJQANCHMSA-N 2 0 345.531 3.279 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702574 1381008618 /nfs/dbraw/zinc/00/86/18/1381008618.db2.gz XXLILQUNNBSHQB-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC(C)C)CC[N@@H+]1C ZINC001157973792 1381089999 /nfs/dbraw/zinc/08/99/99/1381089999.db2.gz PLCHWMBCMSQYTR-CEXWTWQISA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](F)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186092 1381152025 /nfs/dbraw/zinc/15/20/25/1381152025.db2.gz MMCKEIONFQBFAU-DLBZAZTESA-N 2 0 346.450 3.009 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001158282842 1381184349 /nfs/dbraw/zinc/18/43/49/1381184349.db2.gz AXKKPSBPSYXAGT-LJQANCHMSA-N 2 0 337.552 3.362 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434399 1381244021 /nfs/dbraw/zinc/24/40/21/1381244021.db2.gz JUFKYTPJNRVYEW-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158474388 1381257141 /nfs/dbraw/zinc/25/71/41/1381257141.db2.gz YESSTEPMNANTJA-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480845 1381261008 /nfs/dbraw/zinc/26/10/08/1381261008.db2.gz RQARYHSPMHRHJK-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C/C=C\Cl)[NH+](CC)CC ZINC001158491138 1381265808 /nfs/dbraw/zinc/26/58/08/1381265808.db2.gz LCNBRVMQCNTLDY-HJEGTUGWSA-N 2 0 343.943 3.172 20 0 EGADRP Nc1cc[nH+]c(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)c1 ZINC001158668691 1381344919 /nfs/dbraw/zinc/34/49/19/1381344919.db2.gz BZDFOLDMZMAJIH-UHFFFAOYSA-N 2 0 336.317 3.008 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001158786885 1381399954 /nfs/dbraw/zinc/39/99/54/1381399954.db2.gz JVMFCYBBWSBEQT-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852320 1381433367 /nfs/dbraw/zinc/43/33/67/1381433367.db2.gz BCNKBHHZWWXMFH-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccccc1C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158922622 1381465726 /nfs/dbraw/zinc/46/57/26/1381465726.db2.gz GANWULLBEDNPGF-HXUWFJFHSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[NH+](CC)CC ZINC001158958621 1381486635 /nfs/dbraw/zinc/48/66/35/1381486635.db2.gz WRFKPSYCFVPNIS-LJQANCHMSA-N 2 0 345.531 3.278 20 0 EGADRP Cc1c(C(=O)NCC[C@H](C)[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001328361918 1388729723 /nfs/dbraw/zinc/72/97/23/1388729723.db2.gz UJVWZNVXGLHETM-HNNXBMFYSA-N 2 0 342.487 3.321 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001159335266 1381767790 /nfs/dbraw/zinc/76/77/90/1381767790.db2.gz XEWNOLWNFMCBGH-UYAOXDASSA-N 2 0 345.531 3.335 20 0 EGADRP COc1cccc(CC[NH+]2CCCC2)c1NC=CC1CC[NH2+]CC1 ZINC001159507067 1381811756 /nfs/dbraw/zinc/81/17/56/1381811756.db2.gz AEMFFEONNHGSBU-UKTHLTGXSA-N 2 0 329.488 3.259 20 0 EGADRP COc1ccc2c(Nc3ccc(CN4CC[NH2+]CC4)cc3)cc[nH+]c2c1 ZINC001159567731 1381832217 /nfs/dbraw/zinc/83/22/17/1381832217.db2.gz KIVDINQHTCNGET-UHFFFAOYSA-N 2 0 348.450 3.392 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001159775907 1381896587 /nfs/dbraw/zinc/89/65/87/1381896587.db2.gz OYNBPHQGBLWBBF-QGZVFWFLSA-N 2 0 325.456 3.448 20 0 EGADRP c1ccc(C[N@@H+]2CCC=C(Nc3ccc4c(c3)C[NH2+]CCO4)C2)cc1 ZINC001159791081 1381901387 /nfs/dbraw/zinc/90/13/87/1381901387.db2.gz JDJRKLLPTIBSDL-UHFFFAOYSA-N 2 0 335.451 3.370 20 0 EGADRP [NH3+][C@@H]1Cc2ccc(Nc3ccc(COC4CC[NH2+]CC4)cc3)cc2C1 ZINC001159833035 1381915210 /nfs/dbraw/zinc/91/52/10/1381915210.db2.gz QLFAFLMPDYGMOA-GOSISDBHSA-N 2 0 337.467 3.125 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001159909810 1381934145 /nfs/dbraw/zinc/93/41/45/1381934145.db2.gz NOSQYLAWKAYJHK-WOJBJXKFSA-N 2 0 345.531 3.497 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001159909787 1381934427 /nfs/dbraw/zinc/93/44/27/1381934427.db2.gz NFYOOBPPZHNZGI-QFBILLFUSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120315 1382002991 /nfs/dbraw/zinc/00/29/91/1382002991.db2.gz LLMWZHRIKJZUAO-PKOBYXMFSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119751 1382003455 /nfs/dbraw/zinc/00/34/55/1382003455.db2.gz HUPQEFFNCKTJPS-RRFGBZISSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142387 1382014843 /nfs/dbraw/zinc/01/48/43/1382014843.db2.gz IQXUJWQTCCZBGL-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142704 1382014924 /nfs/dbraw/zinc/01/49/24/1382014924.db2.gz TZHLZHMUFMTOQW-IBGZPJMESA-N 2 0 347.547 3.188 20 0 EGADRP Nc1cc(Nc2ccc([C@@H](O)C[NH2+]CCc3ccccc3)cc2)cc[nH+]1 ZINC001160253194 1382050175 /nfs/dbraw/zinc/05/01/75/1382050175.db2.gz DODZZDPCOOVXGT-FQEVSTJZSA-N 2 0 348.450 3.273 20 0 EGADRP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160285551 1382060634 /nfs/dbraw/zinc/06/06/34/1382060634.db2.gz HKTJVSPYCGSMBD-PRPIBZDOSA-N 2 0 347.547 3.356 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353051 1382081330 /nfs/dbraw/zinc/08/13/30/1382081330.db2.gz OKSKHHLVPLYPSU-QUCCMNQESA-N 2 0 349.563 3.149 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2=CC[N@H+](CCC3CCCC3)CC2)CCC1 ZINC001160360844 1382083883 /nfs/dbraw/zinc/08/38/83/1382083883.db2.gz XBBDNNMISMZYFK-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC001160367648 1382084894 /nfs/dbraw/zinc/08/48/94/1382084894.db2.gz QWIGFZNXXINUHM-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160501272 1382125180 /nfs/dbraw/zinc/12/51/80/1382125180.db2.gz ZOQYHYRIHZJMTF-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccc2nc(Cl)cc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)c2c1 ZINC001160511589 1382127453 /nfs/dbraw/zinc/12/74/53/1382127453.db2.gz PSBYPVAIUJFJDL-GOSISDBHSA-N 2 0 330.863 3.032 20 0 EGADRP COc1ccc2c(cc[nH+]c2N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160736229 1382181389 /nfs/dbraw/zinc/18/13/89/1382181389.db2.gz LGWBHGKHKGZVPU-UONOGXRCSA-N 2 0 325.334 3.196 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160870268 1382220099 /nfs/dbraw/zinc/22/00/99/1382220099.db2.gz WVHDZNMQJLEWEX-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CN(C(=O)C[C@@H]([NH3+])c1cccc(Cl)c1Cl)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161061616 1382286166 /nfs/dbraw/zinc/28/61/66/1382286166.db2.gz HULGBSIAAODTSA-MGPQQGTHSA-N 2 0 344.286 3.112 20 0 EGADRP Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc1C ZINC001161102763 1382298076 /nfs/dbraw/zinc/29/80/76/1382298076.db2.gz ADGOSCBLMHKOJE-PMACEKPBSA-N 2 0 345.531 3.416 20 0 EGADRP C[NH+](C)CCN(C(=O)CCCCCC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001161443453 1382412296 /nfs/dbraw/zinc/41/22/96/1382412296.db2.gz UUTMCLGMMNDFCA-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444606 1382413591 /nfs/dbraw/zinc/41/35/91/1382413591.db2.gz HZQALMYNXFZJTN-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N1CCC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC001161489904 1382421034 /nfs/dbraw/zinc/42/10/34/1382421034.db2.gz RIZQQEDOKXVIAF-TZIWHRDSSA-N 2 0 345.531 3.437 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161555126 1382438689 /nfs/dbraw/zinc/43/86/89/1382438689.db2.gz XGTQCVYZMFAHTD-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001161563760 1382440000 /nfs/dbraw/zinc/44/00/00/1382440000.db2.gz HCSDYGFRYZVYBE-OAHLLOKOSA-N 2 0 330.476 3.034 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001161643975 1382468126 /nfs/dbraw/zinc/46/81/26/1382468126.db2.gz GEVCJYJDLBDJBD-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001161644922 1382468414 /nfs/dbraw/zinc/46/84/14/1382468414.db2.gz VGEFNONLXPQPLQ-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645718 1382469281 /nfs/dbraw/zinc/46/92/81/1382469281.db2.gz PJFJFZXWWMHEKO-FPLPWBNLSA-N 2 0 335.536 3.213 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705491 1382486123 /nfs/dbraw/zinc/48/61/23/1382486123.db2.gz UJNZRNLXFFQOSL-VQTJNVASSA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733937 1382491239 /nfs/dbraw/zinc/49/12/39/1382491239.db2.gz PDAJRFKZQPHMIS-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP CC/C=C\CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001161749805 1382495195 /nfs/dbraw/zinc/49/51/95/1382495195.db2.gz NNNVPUGZCMQRHJ-SREVYHEPSA-N 2 0 335.536 3.213 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001161758609 1382496726 /nfs/dbraw/zinc/49/67/26/1382496726.db2.gz IQRIUZBJVWTXRV-GOSISDBHSA-N 2 0 343.515 3.228 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)c1ccn2c[nH+]cc2c1 ZINC001161872969 1382536362 /nfs/dbraw/zinc/53/63/62/1382536362.db2.gz QNIRHVBBMISXQD-UHFFFAOYSA-N 2 0 342.487 3.404 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161924434 1382555134 /nfs/dbraw/zinc/55/51/34/1382555134.db2.gz CHFSCPHGACUQIP-QZTJIDSGSA-N 2 0 349.563 3.434 20 0 EGADRP [NH3+]C1CCN(c2cccc(NCCc3cccc(Cl)c3F)[nH+]2)CC1 ZINC001161986081 1382588547 /nfs/dbraw/zinc/58/85/47/1382588547.db2.gz VYOVLDCSEMTTFK-UHFFFAOYSA-N 2 0 348.853 3.456 20 0 EGADRP COc1ccc2c(cc(Cl)nc2NCCC[NH2+]CCCC[NH3+])c1 ZINC001162291839 1382723854 /nfs/dbraw/zinc/72/38/54/1382723854.db2.gz IREQQMVMICZQNI-UHFFFAOYSA-N 2 0 336.867 3.027 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1cnc(Cl)nc1Oc1ccccc1 ZINC001162294695 1382723923 /nfs/dbraw/zinc/72/39/23/1382723923.db2.gz SSGDQUFJQNFZJQ-UHFFFAOYSA-N 2 0 349.866 3.053 20 0 EGADRP Cc1cc2nc(Cl)c(NCCC[NH2+]CCCC[NH3+])nc2cc1C ZINC001162291647 1382723961 /nfs/dbraw/zinc/72/39/61/1382723961.db2.gz GQOKJNDXHHGLJG-UHFFFAOYSA-N 2 0 335.883 3.031 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1c[nH+]c2cccc(Br)n12 ZINC001162465173 1382765337 /nfs/dbraw/zinc/76/53/37/1382765337.db2.gz DEANQITWKMLHFU-VXGBXAGGSA-N 2 0 337.265 3.144 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001162467510 1382766488 /nfs/dbraw/zinc/76/64/88/1382766488.db2.gz QVMYSUQJIHEIAX-AEFFLSMTSA-N 2 0 331.504 3.003 20 0 EGADRP [NH3+][C@@H]1Cc2ccccc2N(c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001162847090 1382893478 /nfs/dbraw/zinc/89/34/78/1382893478.db2.gz HKIJRPNTGXFFCR-GOSISDBHSA-N 2 0 333.479 3.276 20 0 EGADRP CC[C@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906244 1382911452 /nfs/dbraw/zinc/91/14/52/1382911452.db2.gz GQXMPZHRKLHPOE-IBGZPJMESA-N 2 0 347.547 3.035 20 0 EGADRP CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977489 1382934910 /nfs/dbraw/zinc/93/49/10/1382934910.db2.gz SZNUNMMTLKNIJK-UHFFFAOYSA-N 2 0 347.547 3.179 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C(C)(C)C)nc(C(C)C)n1 ZINC001163129270 1382972412 /nfs/dbraw/zinc/97/24/12/1382972412.db2.gz JSVDKERETVBLSS-UHFFFAOYSA-N 2 0 334.512 3.176 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1F ZINC001163291135 1383014004 /nfs/dbraw/zinc/01/40/04/1383014004.db2.gz ZSSBMIXCPQILDP-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001163851850 1383129518 /nfs/dbraw/zinc/12/95/18/1383129518.db2.gz UTCWDCVNHCWABQ-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP Nc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]cc1F ZINC001164486143 1383191799 /nfs/dbraw/zinc/19/17/99/1383191799.db2.gz LCWCRLAYSDDSSF-HDMKZQKVSA-N 2 0 326.419 3.125 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4[nH+]ccc5c4CCN5)[C@@H]3C2)cc1 ZINC001164487474 1383192328 /nfs/dbraw/zinc/19/23/28/1383192328.db2.gz VJZKLTFEGVNUJX-ILZDJORESA-N 2 0 334.467 3.372 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cnc5c(c4)C[NH2+]CC5)[C@@H]3C2)cc1 ZINC001164491837 1383192548 /nfs/dbraw/zinc/19/25/48/1383192548.db2.gz HEXKLIQBMNTPDI-WEYGHZABSA-N 2 0 348.494 3.050 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164535922 1383197128 /nfs/dbraw/zinc/19/71/28/1383197128.db2.gz COAZOUQCHVNKLH-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CN(CCc1cccs1)c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001165062888 1383219555 /nfs/dbraw/zinc/21/95/55/1383219555.db2.gz JDSVSUQECIBTQP-UHFFFAOYSA-N 2 0 331.485 3.295 20 0 EGADRP C[NH+]1CCC(C2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)CC1 ZINC001165066871 1383220934 /nfs/dbraw/zinc/22/09/34/1383220934.db2.gz DIWYONCUPRMSQM-UHFFFAOYSA-N 2 0 342.531 3.236 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNc2c[nH+]c3cc(Br)ccn23)C1 ZINC001165289684 1383267018 /nfs/dbraw/zinc/26/70/18/1383267018.db2.gz IOPKBVNECDHKSP-GFCCVEGCSA-N 2 0 337.265 3.241 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(NCCCc3ccncc3)cc2)CC1 ZINC001165546086 1383309428 /nfs/dbraw/zinc/30/94/28/1383309428.db2.gz HATFRIJRGIUJMC-UHFFFAOYSA-N 2 0 338.499 3.297 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165567978 1383311168 /nfs/dbraw/zinc/31/11/68/1383311168.db2.gz CUXASDMBJUGZRW-SHCNBLLESA-N 2 0 335.536 3.093 20 0 EGADRP Cc1cc2[nH]ccc2c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)[nH+]1 ZINC001165669954 1383322577 /nfs/dbraw/zinc/32/25/77/1383322577.db2.gz OQQWMTOUJNLSNM-HNNXBMFYSA-N 2 0 342.487 3.387 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001165718919 1383331323 /nfs/dbraw/zinc/33/13/23/1383331323.db2.gz SVMBTUSTGFPOCQ-CRAIPNDOSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1)[NH+](CC)CC ZINC001166440366 1383422456 /nfs/dbraw/zinc/42/24/56/1383422456.db2.gz WNHIFHMUZUGLTG-IBGZPJMESA-N 2 0 333.520 3.020 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1)[NH+](CC)CC ZINC001166440344 1383422777 /nfs/dbraw/zinc/42/27/77/1383422777.db2.gz VZPJKNMNPZRJFU-HZPDHXFCSA-N 2 0 347.494 3.028 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)[NH+](CC)CC ZINC001166448195 1383423654 /nfs/dbraw/zinc/42/36/54/1383423654.db2.gz RQZDGAZNCDTZKP-UXHICEINSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccccc1C1CC1)[NH+](CC)CC ZINC001166449071 1383423692 /nfs/dbraw/zinc/42/36/92/1383423692.db2.gz ZZYTZHJAOPISOY-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(CCNC(=O)CCC[NH+](C)C)CC2)c1 ZINC001166883892 1383493909 /nfs/dbraw/zinc/49/39/09/1383493909.db2.gz YVUHJBIGUSDSOH-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1)[NH+](C)C ZINC001167044550 1383527236 /nfs/dbraw/zinc/52/72/36/1383527236.db2.gz KQLLNDPHEBAXMY-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240929 1383573409 /nfs/dbraw/zinc/57/34/09/1383573409.db2.gz WEOFRBZCEKCWPR-FPLPWBNLSA-N 2 0 337.552 3.197 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001167261170 1383577947 /nfs/dbraw/zinc/57/79/47/1383577947.db2.gz YDGTYZHSHHGLEV-MJGOQNOKSA-N 2 0 345.531 3.272 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167471147 1383643294 /nfs/dbraw/zinc/64/32/94/1383643294.db2.gz XNZLZRKCKMPHDW-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)Cc1c[nH]c2nccc(N3C(C)(C)CC([NH3+])CC3(C)C)c12 ZINC001167626244 1383692361 /nfs/dbraw/zinc/69/23/61/1383692361.db2.gz AYDUUSXGWDKPPT-UHFFFAOYSA-N 2 0 329.492 3.109 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167626724 1383692395 /nfs/dbraw/zinc/69/23/95/1383692395.db2.gz GHFFNNXSMBIWOA-FQEVSTJZSA-N 2 0 345.531 3.108 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCC(=O)N2CC2CC2)CC1 ZINC001167823248 1383749438 /nfs/dbraw/zinc/74/94/38/1383749438.db2.gz JZHMCJKQSUJFRB-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001167824396 1383749523 /nfs/dbraw/zinc/74/95/23/1383749523.db2.gz OKSXOZCSWSSLBL-IJXRJRJASA-N 2 0 338.536 3.155 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC001167826879 1383750337 /nfs/dbraw/zinc/75/03/37/1383750337.db2.gz RQBCAQYAQDMZCX-SFHVURJKSA-N 2 0 346.519 3.347 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001167833545 1383753182 /nfs/dbraw/zinc/75/31/82/1383753182.db2.gz CGGJFHJNTADTJX-ICSRJNTNSA-N 2 0 334.504 3.277 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC001167836367 1383754829 /nfs/dbraw/zinc/75/48/29/1383754829.db2.gz YPTHWQXAKVDKFM-IHPCNDPISA-N 2 0 346.515 3.386 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001167837206 1383755176 /nfs/dbraw/zinc/75/51/76/1383755176.db2.gz JFZAUFNOXDUUEG-QGZVFWFLSA-N 3 0 327.532 3.395 20 0 EGADRP OC[C@H](Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967510 1383781218 /nfs/dbraw/zinc/78/12/18/1383781218.db2.gz GJECULRKYBSZRT-HRVKUGKESA-N 2 0 348.918 3.238 20 0 EGADRP c1ccc(CN2CC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969970 1383782059 /nfs/dbraw/zinc/78/20/59/1383782059.db2.gz IIBVMBAFXFCDKN-LQCXBHPOSA-N 2 0 339.527 3.256 20 0 EGADRP CC(C)(C)OC(=O)NC/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167972805 1383782592 /nfs/dbraw/zinc/78/25/92/1383782592.db2.gz BZWPYKTZNCMWIV-UWGADRCPSA-N 2 0 349.519 3.062 20 0 EGADRP OC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1Cl ZINC001167975126 1383783900 /nfs/dbraw/zinc/78/39/00/1383783900.db2.gz HZXXTEYQQVTSSR-IHBAFOEMSA-N 2 0 334.891 3.368 20 0 EGADRP c1ccc2c(c1)CC[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)O2 ZINC001167977561 1383785092 /nfs/dbraw/zinc/78/50/92/1383785092.db2.gz FDYOJLKAPZSTLM-RAFMOHDBSA-N 2 0 326.484 3.375 20 0 EGADRP Cc1cnc(CC[NH3+])n1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010964 1383796209 /nfs/dbraw/zinc/79/62/09/1383796209.db2.gz LVGGWMAWFBKPTM-HOTGVXAUSA-N 2 0 326.488 3.307 20 0 EGADRP C[C@H]1CC([NH2+]Cc2cc[nH]c(=O)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014128 1383798018 /nfs/dbraw/zinc/79/80/18/1383798018.db2.gz KGBAQYFDHMNUMW-HOTGVXAUSA-N 2 0 325.456 3.318 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024752 1383799424 /nfs/dbraw/zinc/79/94/24/1383799424.db2.gz IOJHPWBFLQEBAQ-YHELAOLJSA-N 2 0 347.522 3.452 20 0 EGADRP C[C@@H]1C[C@@H](n2ccnc2CCC[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039471 1383801819 /nfs/dbraw/zinc/80/18/19/1383801819.db2.gz FHGOSJITSSTMMF-IZZQQSIFSA-N 2 0 326.488 3.389 20 0 EGADRP C[C@@H]1CC(N2CCC[C@H]2C[NH+](C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063378 1383808839 /nfs/dbraw/zinc/80/88/39/1383808839.db2.gz NECLTKYLQXBQJY-GGPKGHCWSA-N 2 0 329.532 3.454 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001168229964 1383849599 /nfs/dbraw/zinc/84/95/99/1383849599.db2.gz DVWPMLSGSLWSAZ-RXVVDRJESA-N 2 0 336.479 3.274 20 0 EGADRP COc1ccccc1C1(C[NH2+]C2CCC([NH+](C)C)CC2)CCOCC1 ZINC001168298723 1383866430 /nfs/dbraw/zinc/86/64/30/1383866430.db2.gz BCIJELVCLDZTSB-UHFFFAOYSA-N 2 0 346.515 3.206 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC1 ZINC001168305738 1383868035 /nfs/dbraw/zinc/86/80/35/1383868035.db2.gz LZLANAIUKXHZKV-UHFFFAOYSA-N 2 0 329.488 3.166 20 0 EGADRP COC(=O)[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC001168319090 1383871568 /nfs/dbraw/zinc/87/15/68/1383871568.db2.gz NWJZCVCQHIYXMZ-GMNCBBECSA-N 2 0 330.472 3.095 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320563 1383872734 /nfs/dbraw/zinc/87/27/34/1383872734.db2.gz CETREAWAFOGOTM-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168324914 1383873174 /nfs/dbraw/zinc/87/31/74/1383873174.db2.gz ZUZVMKFRRMYKBZ-GTPINHCMSA-N 2 0 339.524 3.048 20 0 EGADRP COc1ccc2c(CC[NH3+])cn(C3CC[NH+](CC4CC4)CC3)c2c1 ZINC001168363319 1383883598 /nfs/dbraw/zinc/88/35/98/1383883598.db2.gz XQXLLSQEWDKGFT-UHFFFAOYSA-N 2 0 327.472 3.198 20 0 EGADRP COCCC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCC(F)(F)CC1 ZINC001168364503 1383884108 /nfs/dbraw/zinc/88/41/08/1383884108.db2.gz DXYQZEXELOUICT-UHFFFAOYSA-N 2 0 330.463 3.435 20 0 EGADRP c1ccc(CC2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)cc1 ZINC001168365817 1383884790 /nfs/dbraw/zinc/88/47/90/1383884790.db2.gz XLTJWNFLGRJZGF-UHFFFAOYSA-N 2 0 342.527 3.490 20 0 EGADRP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168394522 1383895008 /nfs/dbraw/zinc/89/50/08/1383895008.db2.gz ASNZSWSEPYMQOW-FQEVSTJZSA-N 2 0 342.483 3.485 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168413025 1383900129 /nfs/dbraw/zinc/90/01/29/1383900129.db2.gz VRYBORSWESPBPA-HXUWFJFHSA-N 2 0 342.458 3.413 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001168469679 1383915493 /nfs/dbraw/zinc/91/54/93/1383915493.db2.gz USMOCUPSOVXQNW-INIZCTEOSA-N 2 0 327.447 3.188 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)CCO2)cc1 ZINC001168609288 1383947878 /nfs/dbraw/zinc/94/78/78/1383947878.db2.gz GHOULHZZIYXUAE-CTNGQTDRSA-N 2 0 344.499 3.379 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CC1CCCCC1 ZINC001168615396 1383949341 /nfs/dbraw/zinc/94/93/41/1383949341.db2.gz PTIRRRYDYBCUGQ-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1)C(C)C ZINC001168653252 1383959282 /nfs/dbraw/zinc/95/92/82/1383959282.db2.gz PGYGOUDAGTUISB-IEBWSBKVSA-N 2 0 333.520 3.210 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C)cc1C)C(C)C ZINC001168666277 1383964866 /nfs/dbraw/zinc/96/48/66/1383964866.db2.gz DQAOGWVKYLRZHA-HXUWFJFHSA-N 2 0 347.547 3.266 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001168762713 1383995031 /nfs/dbraw/zinc/99/50/31/1383995031.db2.gz GYAJDOVEPAGXQY-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001168764352 1383996096 /nfs/dbraw/zinc/99/60/96/1383996096.db2.gz ZXEDYLWHKQMYEQ-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(NCC(C)(C)C[NH+](C)C)c(C)c2)CC1 ZINC001168766771 1383996225 /nfs/dbraw/zinc/99/62/25/1383996225.db2.gz SOYJDRMBNRDIIT-UHFFFAOYSA-N 2 0 330.520 3.499 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CN1C(=O)OC(C)(C)C ZINC001168801695 1384010821 /nfs/dbraw/zinc/01/08/21/1384010821.db2.gz BAWAPSGCMZQEER-IAGOWNOFSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001308089300 1384090172 /nfs/dbraw/zinc/09/01/72/1384090172.db2.gz LSOVAJBJKLGODS-JTSKRJEESA-N 2 0 347.462 3.479 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]CCCOCCOCCC[NH3+] ZINC001169058705 1384101721 /nfs/dbraw/zinc/10/17/21/1384101721.db2.gz JMYCKUVZOGNNCH-HXUWFJFHSA-N 2 0 336.520 3.006 20 0 EGADRP Cc1cc(F)ccc1CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169109054 1384108014 /nfs/dbraw/zinc/10/80/14/1384108014.db2.gz HFJLWCVSFHXKKV-MZADTFQBSA-N 2 0 345.506 3.313 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)CC1 ZINC001308199481 1384108180 /nfs/dbraw/zinc/10/81/80/1384108180.db2.gz MQJAXURTFULFMC-QGZVFWFLSA-N 2 0 347.547 3.108 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169131586 1384110793 /nfs/dbraw/zinc/11/07/93/1384110793.db2.gz WDHUWPMZBDRAMW-AANPDWTMSA-N 2 0 339.527 3.208 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001169126603 1384111383 /nfs/dbraw/zinc/11/13/83/1384111383.db2.gz APRBUTDNHWEWBM-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133931 1384111913 /nfs/dbraw/zinc/11/19/13/1384111913.db2.gz NMQXYGKGEIGQTG-YRIDSSQKSA-N 2 0 341.499 3.188 20 0 EGADRP COCC[N@H+](C)Cc1ccnc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169141499 1384112694 /nfs/dbraw/zinc/11/26/94/1384112694.db2.gz JWKWNKMVRQDLAC-FXAWDEMLSA-N 2 0 348.535 3.115 20 0 EGADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144643 1384114029 /nfs/dbraw/zinc/11/40/29/1384114029.db2.gz LHYDICXMCWAYFN-KOUNCHBCSA-N 3 0 341.543 3.456 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169280597 1384131762 /nfs/dbraw/zinc/13/17/62/1384131762.db2.gz UCHUPDUVGRZANM-JLAWEPINSA-N 2 0 330.472 3.229 20 0 EGADRP C[NH+](C)CC1CC[NH+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169301398 1384134047 /nfs/dbraw/zinc/13/40/47/1384134047.db2.gz RWNOKRPWYYVFSJ-UHFFFAOYSA-N 2 0 344.499 3.428 20 0 EGADRP C[N@@H+]1CC[C@@]2(CC[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1 ZINC001169306330 1384134413 /nfs/dbraw/zinc/13/44/13/1384134413.db2.gz XVRUTZKERPJKBN-GZNCHQMQSA-N 2 0 342.483 3.182 20 0 EGADRP CC[NH+]1CCC(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC001308858193 1384155378 /nfs/dbraw/zinc/15/53/78/1384155378.db2.gz BNNPLCULRNCJOA-UHFFFAOYSA-N 2 0 339.524 3.145 20 0 EGADRP CCOC(=O)N1CCC[C@H]([N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169672326 1384171456 /nfs/dbraw/zinc/17/14/56/1384171456.db2.gz OETGHHFVASKQKC-BZSNNMDCSA-N 2 0 339.524 3.225 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](CC)CC)CC2)CC1 ZINC001169679979 1384172759 /nfs/dbraw/zinc/17/27/59/1384172759.db2.gz VHHBBEQCOVFVDT-KZNAEPCWSA-N 2 0 339.524 3.240 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729985 1384179808 /nfs/dbraw/zinc/17/98/08/1384179808.db2.gz YBORXZNHBWYWCE-ICSRJNTNSA-N 2 0 345.531 3.391 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001169941520 1384201985 /nfs/dbraw/zinc/20/19/85/1384201985.db2.gz XTJDRSMURJEABC-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001170423074 1384315101 /nfs/dbraw/zinc/31/51/01/1384315101.db2.gz BMGPUWLKCVEOMC-KRWDZBQOSA-N 2 0 330.472 3.330 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753159 1384379414 /nfs/dbraw/zinc/37/94/14/1384379414.db2.gz MUOGHNSQNUJLJA-VDRZXAFZSA-N 2 0 332.532 3.101 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001170783902 1384384743 /nfs/dbraw/zinc/38/47/43/1384384743.db2.gz ATOQFOOUPUHUQU-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170815947 1384390646 /nfs/dbraw/zinc/39/06/46/1384390646.db2.gz CIDYOYWHBHDXBK-LPHOPBHVSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170846920 1384397608 /nfs/dbraw/zinc/39/76/08/1384397608.db2.gz BMPDNHYIAIOIOW-DLBZAZTESA-N 2 0 337.305 3.380 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)CC[N@@H+]1C ZINC001170870535 1384402095 /nfs/dbraw/zinc/40/20/95/1384402095.db2.gz ISXNSNWXGXSTOK-FGTMMUONSA-N 2 0 325.541 3.027 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171120986 1384449583 /nfs/dbraw/zinc/44/95/83/1384449583.db2.gz QTTQKAPXVXECSF-FNYRVFDFSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc(N4CC[NH2+]CC4)c3)c2c1 ZINC001171167508 1384458726 /nfs/dbraw/zinc/45/87/26/1384458726.db2.gz GLJRXMJKAGLQFP-QGZVFWFLSA-N 2 0 348.494 3.238 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171234979 1384475872 /nfs/dbraw/zinc/47/58/72/1384475872.db2.gz AVZVHBGSWBAIAO-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248937 1384478797 /nfs/dbraw/zinc/47/87/97/1384478797.db2.gz ZCMIOKRAMJLPDY-SJLPKXTDSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253768 1384479397 /nfs/dbraw/zinc/47/93/97/1384479397.db2.gz JQJQMNPIFCOUHQ-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP COc1ccc(Cl)c2c1C[C@H]([NH2+]CC13CC[NH+](CC1)CC3)CC2 ZINC001171297342 1384488041 /nfs/dbraw/zinc/48/80/41/1384488041.db2.gz FHVKFLIJTOESTG-CQSZACIVSA-N 2 0 334.891 3.281 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001171366633 1384503026 /nfs/dbraw/zinc/50/30/26/1384503026.db2.gz BDVMZALPJCYOSD-HKUYNNGSSA-N 2 0 337.552 3.338 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171505859 1384544883 /nfs/dbraw/zinc/54/48/83/1384544883.db2.gz NHBMSJATEKUDJC-JSGCOSHPSA-N 2 0 326.406 3.283 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171520835 1384549767 /nfs/dbraw/zinc/54/97/67/1384549767.db2.gz PWTHUNKGHKNNOL-HZSPNIEDSA-N 2 0 326.406 3.424 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH+]1CCC([NH3+])(Cc3ccccn3)CC1)C2 ZINC001171559108 1384562432 /nfs/dbraw/zinc/56/24/32/1384562432.db2.gz VTKANMAMOMJXCN-HXUWFJFHSA-N 2 0 335.495 3.283 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001171608243 1384578645 /nfs/dbraw/zinc/57/86/45/1384578645.db2.gz GECADRAQMBGUCV-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001171613699 1384580446 /nfs/dbraw/zinc/58/04/46/1384580446.db2.gz NNSKURUGYVPVLM-ZDUSSCGKSA-N 2 0 327.513 3.141 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@@H](CO)Cc2cccc(Cl)c2)CC1(C)C ZINC001171623550 1384582834 /nfs/dbraw/zinc/58/28/34/1384582834.db2.gz BTFJWJYVEMONAX-MRXNPFEDSA-N 2 0 338.923 3.484 20 0 EGADRP COc1ccc2c(c1)C[C@@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CO2 ZINC001171627372 1384584966 /nfs/dbraw/zinc/58/49/66/1384584966.db2.gz RFBWOMCIQQFLCB-HNNXBMFYSA-N 2 0 346.515 3.487 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H]([C@@H](N)C(F)(F)F)C2)CC1(C)C ZINC001171631104 1384586058 /nfs/dbraw/zinc/58/60/58/1384586058.db2.gz WEVCJMHQKFEPTO-TZMCWYRMSA-N 2 0 335.458 3.239 20 0 EGADRP CC(C)C(=O)N1CC[C@H]2C[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@H]21 ZINC001171637253 1384588214 /nfs/dbraw/zinc/58/82/14/1384588214.db2.gz LLJFBSZCSKPTCI-FUHWJXTLSA-N 2 0 349.563 3.217 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171645923 1384591045 /nfs/dbraw/zinc/59/10/45/1384591045.db2.gz DDCDZJYRDBZEDO-GJWDQICYSA-N 2 0 343.943 3.124 20 0 EGADRP Cc1ccc(CC[C@H](C)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC001171662510 1384594790 /nfs/dbraw/zinc/59/47/90/1384594790.db2.gz BSEAZUXUPDOAMQ-WMZOPIPTSA-N 2 0 349.519 3.495 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171685761 1384602658 /nfs/dbraw/zinc/60/26/58/1384602658.db2.gz ZWBLMFRJTOSSQS-JKSUJKDBSA-N 2 0 330.476 3.259 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171692508 1384604137 /nfs/dbraw/zinc/60/41/37/1384604137.db2.gz ZFSFRLWTCBOBDF-MRXNPFEDSA-N 2 0 330.476 3.403 20 0 EGADRP C[C@@H]1C[C@H](N2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171755013 1384625937 /nfs/dbraw/zinc/62/59/37/1384625937.db2.gz LCGGDRWKCNWTQW-NQIIRXRSSA-N 2 0 327.516 3.210 20 0 EGADRP C[C@H]1C[C@@H](N2CCC([NH+](C)C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171758692 1384626766 /nfs/dbraw/zinc/62/67/66/1384626766.db2.gz AFOXMZDGGXQOIN-LAUBAEHRSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@H]1C[C@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171769583 1384630167 /nfs/dbraw/zinc/63/01/67/1384630167.db2.gz UOEPNTSVOJUPLV-ZIBCJSCZSA-N 2 0 345.506 3.158 20 0 EGADRP Fc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](Cc3cccnc3)CC1)C2 ZINC001171784893 1384635615 /nfs/dbraw/zinc/63/56/15/1384635615.db2.gz ISSVGWRREYXEKB-LJQANCHMSA-N 2 0 339.458 3.190 20 0 EGADRP CC[C@@H]1C[C@H]([N@H+](C)C[C@@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817072 1384648917 /nfs/dbraw/zinc/64/89/17/1384648917.db2.gz ZGJPAVJPMWEPBQ-MWDXBVQZSA-N 2 0 341.540 3.470 20 0 EGADRP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC001171869866 1384666349 /nfs/dbraw/zinc/66/63/49/1384666349.db2.gz FLFGIOPDACAISH-HXUWFJFHSA-N 2 0 343.515 3.147 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171918215 1384681163 /nfs/dbraw/zinc/68/11/63/1384681163.db2.gz MTQYUDXBXFBPDU-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171924393 1384683905 /nfs/dbraw/zinc/68/39/05/1384683905.db2.gz ODNMELWNPOZKEK-HKUYNNGSSA-N 2 0 335.536 3.092 20 0 EGADRP CC1(C)C[C@@H](NCc2cn3cccnc3n2)CC[N@@H+]1Cc1ccccc1 ZINC001171965089 1384697558 /nfs/dbraw/zinc/69/75/58/1384697558.db2.gz OAZJTVNJYDNPMX-SFHVURJKSA-N 2 0 349.482 3.262 20 0 EGADRP CC1(C)C[C@H](N2C[C@H](F)C[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976251 1384700917 /nfs/dbraw/zinc/70/09/17/1384700917.db2.gz JOJBJYGXOWJWLC-GUDVDZBRSA-N 2 0 334.479 3.082 20 0 EGADRP COC(=O)CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979643 1384702821 /nfs/dbraw/zinc/70/28/21/1384702821.db2.gz MSIFNUOCWPGDSM-SFHVURJKSA-N 2 0 332.488 3.363 20 0 EGADRP Cc1nc2c(n1[C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C[NH2+]CC2 ZINC001171987804 1384706866 /nfs/dbraw/zinc/70/68/66/1384706866.db2.gz KASBRJFHRDCVLK-SFHVURJKSA-N 2 0 338.499 3.453 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068383 1384716766 /nfs/dbraw/zinc/71/67/66/1384716766.db2.gz QKOMLESSZABDBE-ALGQRKQJSA-N 2 0 328.500 3.323 20 0 EGADRP Cn1cnc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172069989 1384717679 /nfs/dbraw/zinc/71/76/79/1384717679.db2.gz ZICVAOYTQJTRQT-MZADTFQBSA-N 2 0 338.499 3.138 20 0 EGADRP O[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068388 1384718462 /nfs/dbraw/zinc/71/84/62/1384718462.db2.gz QKOMLESSZABDBE-YMQHIKHWSA-N 2 0 328.500 3.323 20 0 EGADRP C[N@@H+]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172079757 1384721878 /nfs/dbraw/zinc/72/18/78/1384721878.db2.gz QVRLSWWWUABVAA-WKCHPHFGSA-N 2 0 327.516 3.210 20 0 EGADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090377 1384724320 /nfs/dbraw/zinc/72/43/20/1384724320.db2.gz UYTDNRYKZRWNLG-WIYBCGNWSA-N 2 0 339.527 3.351 20 0 EGADRP CCCN(CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172112404 1384729687 /nfs/dbraw/zinc/72/96/87/1384729687.db2.gz VSXRALJVTJFORP-BJWYYQGGSA-N 2 0 339.524 3.238 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3cc(N4CC[NH2+]CC4)ccc31)C2 ZINC001172130509 1384737679 /nfs/dbraw/zinc/73/76/79/1384737679.db2.gz PELPBOUUOBQKTI-RUYXUALKSA-N 2 0 338.499 3.239 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001316996007 1384753196 /nfs/dbraw/zinc/75/31/96/1384753196.db2.gz UGDLFPQNNAVSFV-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1c(F)cccc1CN1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235939 1384753613 /nfs/dbraw/zinc/75/36/13/1384753613.db2.gz HYWREFVTKORIJF-YQQQUEKLSA-N 2 0 330.447 3.174 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCc2c(Cl)ccc(C)c2F)CC1 ZINC001172250053 1384755869 /nfs/dbraw/zinc/75/58/69/1384755869.db2.gz NGDMJEFAKVMBAC-UHFFFAOYSA-N 2 0 342.886 3.421 20 0 EGADRP COCCC[NH+]1CCC(n2c3ccc(F)cc3c3c2CC[NH2+]C3)CC1 ZINC001172252813 1384757024 /nfs/dbraw/zinc/75/70/24/1384757024.db2.gz AEQJJCYNKDOKJC-UHFFFAOYSA-N 2 0 345.462 3.100 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172542947 1384809920 /nfs/dbraw/zinc/80/99/20/1384809920.db2.gz JXTUIEVFMOBBJK-YUMYIRISSA-N 2 0 341.543 3.423 20 0 EGADRP CCCC[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172631829 1384823715 /nfs/dbraw/zinc/82/37/15/1384823715.db2.gz ADDFBIFMGCXKIS-BZUAXINKSA-N 2 0 327.513 3.129 20 0 EGADRP CCCC[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640494 1384825286 /nfs/dbraw/zinc/82/52/86/1384825286.db2.gz OGRGURVXEQBDKP-YESZJQIVSA-N 2 0 339.524 3.368 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(C)(C)OC(C)(C)C2)cc1 ZINC001172644257 1384825562 /nfs/dbraw/zinc/82/55/62/1384825562.db2.gz LEINIACMNJQQPW-UHFFFAOYSA-N 2 0 334.504 3.453 20 0 EGADRP CC1(C)CC([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC(C)(C)O1 ZINC001172654178 1384826503 /nfs/dbraw/zinc/82/65/03/1384826503.db2.gz WROOIDKNBGYDIW-UHFFFAOYSA-N 2 0 338.536 3.203 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001172800580 1384854861 /nfs/dbraw/zinc/85/48/61/1384854861.db2.gz YSROHFQBQVJRGW-RDJZCZTQSA-N 2 0 340.483 3.007 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC001172833354 1384861799 /nfs/dbraw/zinc/86/17/99/1384861799.db2.gz XYFGMKUVEVCLNF-QFIPXVFZSA-N 2 0 342.527 3.333 20 0 EGADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172847084 1384864263 /nfs/dbraw/zinc/86/42/63/1384864263.db2.gz ZJWCMCWVKQENJA-CQSZACIVSA-N 2 0 341.902 3.026 20 0 EGADRP C[C@H]1CC[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173072502 1384907793 /nfs/dbraw/zinc/90/77/93/1384907793.db2.gz WISUGMWIRIKPFS-DOTOQJQBSA-N 2 0 339.524 3.048 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCNC(=O)Nc2ccccc2)CC1 ZINC001173104405 1384915492 /nfs/dbraw/zinc/91/54/92/1384915492.db2.gz NOAMLXMINSYHMS-UHFFFAOYSA-N 2 0 332.492 3.051 20 0 EGADRP CCc1nnc2ccc(C[NH2+]C3CCC([NH+](CC)CC)CC3)cn21 ZINC001173106112 1384915552 /nfs/dbraw/zinc/91/55/52/1384915552.db2.gz IMEUTBJDSOTSBJ-UHFFFAOYSA-N 2 0 329.492 3.034 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3ncccc3OC)CC2)CC1 ZINC001173106978 1384916340 /nfs/dbraw/zinc/91/63/40/1384916340.db2.gz TWWXIQPLPWDNHK-UHFFFAOYSA-N 2 0 331.504 3.364 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001173109746 1384917134 /nfs/dbraw/zinc/91/71/34/1384917134.db2.gz GCRQUONUPCKLND-UHFFFAOYSA-N 2 0 339.524 3.286 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)CC1 ZINC001173114068 1384917827 /nfs/dbraw/zinc/91/78/27/1384917827.db2.gz UTVJHUCGXYUDMP-CTWPCTMYSA-N 2 0 346.519 3.281 20 0 EGADRP c1nc2c(s1)C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)CC2 ZINC001173136506 1384921574 /nfs/dbraw/zinc/92/15/74/1384921574.db2.gz PWWGORHSJFISMF-RDJZCZTQSA-N 2 0 331.529 3.411 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)CO2 ZINC001173149382 1384924834 /nfs/dbraw/zinc/92/48/34/1384924834.db2.gz CFZLPDSTNMCYON-SFHVURJKSA-N 2 0 344.499 3.243 20 0 EGADRP CC[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3cccc(Br)c32)C1 ZINC001173361781 1384964118 /nfs/dbraw/zinc/96/41/18/1384964118.db2.gz WWXBCZSYAYJVQW-ZDUSSCGKSA-N 2 0 336.277 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317206102 1384981976 /nfs/dbraw/zinc/98/19/76/1384981976.db2.gz RDSBHMDQWUAIFK-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CC2 ZINC001173606075 1384987300 /nfs/dbraw/zinc/98/73/00/1384987300.db2.gz OCIVJQQZTFUACU-NZEHOUKNSA-N 2 0 338.536 3.489 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)C1 ZINC001173629532 1384991403 /nfs/dbraw/zinc/99/14/03/1384991403.db2.gz ASXMRFZKOYGZBJ-RTBURBONSA-N 2 0 336.520 3.210 20 0 EGADRP Cc1ccc(C[NH2+]C2CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001317220258 1385000611 /nfs/dbraw/zinc/00/06/11/1385000611.db2.gz OAEDFWMKZJVPDN-SOAGJPPSSA-N 2 0 345.531 3.098 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[N@H+](CCC[NH3+])C2CCCCC2)cc1 ZINC001173709646 1385006325 /nfs/dbraw/zinc/00/63/25/1385006325.db2.gz PKSFVDIFXYQYQR-INIZCTEOSA-N 2 0 332.488 3.388 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001173714939 1385007611 /nfs/dbraw/zinc/00/76/11/1385007611.db2.gz LJFMFSHTRUSOMZ-IRXDYDNUSA-N 2 0 332.488 3.258 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cs1 ZINC001317349494 1385099197 /nfs/dbraw/zinc/09/91/97/1385099197.db2.gz GPHBKIPCGGESAO-IRXDYDNUSA-N 2 0 349.544 3.058 20 0 EGADRP Cc1c[nH+]ccc1Nc1ccc(OCC2CC[NH+](C)CC2)c(F)c1 ZINC001174538376 1385117738 /nfs/dbraw/zinc/11/77/38/1385117738.db2.gz HPOOEYNVBIZAJB-UHFFFAOYSA-N 2 0 329.419 3.415 20 0 EGADRP Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001174813443 1385153027 /nfs/dbraw/zinc/15/30/27/1385153027.db2.gz KHZCDZRMONTZNV-UHFFFAOYSA-N 2 0 348.454 3.071 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174882883 1385164781 /nfs/dbraw/zinc/16/47/81/1385164781.db2.gz XOZDGRMVFMUBPT-HKUYNNGSSA-N 2 0 337.552 3.457 20 0 EGADRP Cc1cc(C)c(C[N@H+](C)CCNC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001317471671 1385166603 /nfs/dbraw/zinc/16/66/03/1385166603.db2.gz NNZAGRAORBUNOQ-UHFFFAOYSA-N 2 0 345.531 3.036 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1C ZINC001317478643 1385175097 /nfs/dbraw/zinc/17/50/97/1385175097.db2.gz RKZIQSJILZVDTK-UHFFFAOYSA-N 2 0 345.531 3.198 20 0 EGADRP CCCC[N@H+](CCC(=O)N(C)CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174982930 1385178637 /nfs/dbraw/zinc/17/86/37/1385178637.db2.gz BBMKRPIEDZSCFS-UHFFFAOYSA-N 2 0 325.541 3.266 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001175049159 1385186493 /nfs/dbraw/zinc/18/64/93/1385186493.db2.gz OMGDHEMCHPQRIF-HNNXBMFYSA-N 2 0 339.911 3.056 20 0 EGADRP C[C@@H](CCCC[NH2+]CC/C=C/c1ccccc1)NC(=O)CC[NH+](C)C ZINC001175049250 1385186500 /nfs/dbraw/zinc/18/65/00/1385186500.db2.gz RBXVXWDFJODJCI-MOXPCZPISA-N 2 0 345.531 3.306 20 0 EGADRP CCOc1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1F ZINC001175052146 1385186973 /nfs/dbraw/zinc/18/69/73/1385186973.db2.gz XALZGOCXECLIEW-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175055398 1385187265 /nfs/dbraw/zinc/18/72/65/1385187265.db2.gz GPSYRWBOYICVNW-GOSISDBHSA-N 2 0 333.520 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001175056757 1385187295 /nfs/dbraw/zinc/18/72/95/1385187295.db2.gz PMAKSCHVWCWDHR-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001317513855 1385227762 /nfs/dbraw/zinc/22/77/62/1385227762.db2.gz ZQEPHTCXPKFGNJ-QUCCMNQESA-N 2 0 345.531 3.033 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255428 1385229729 /nfs/dbraw/zinc/22/97/29/1385229729.db2.gz FLYZYZDTPFZOQX-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264356 1385234190 /nfs/dbraw/zinc/23/41/90/1385234190.db2.gz UAAZBYREUFMYIS-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175265113 1385234267 /nfs/dbraw/zinc/23/42/67/1385234267.db2.gz XIDAOOSRQCGIIT-MGBKSAOESA-N 2 0 337.552 3.339 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175297318 1385242225 /nfs/dbraw/zinc/24/22/25/1385242225.db2.gz UMBUUDHVOPQCDB-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295612 1385242551 /nfs/dbraw/zinc/24/25/51/1385242551.db2.gz HLZRHDMZMFOILN-IRXDYDNUSA-N 2 0 327.557 3.275 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317623119 1385358378 /nfs/dbraw/zinc/35/83/78/1385358378.db2.gz KVBAEUKQBBWBMD-WMZOPIPTSA-N 2 0 349.494 3.057 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001175767383 1385398843 /nfs/dbraw/zinc/39/88/43/1385398843.db2.gz GARLDLJOAITCAS-ILCZHQDMSA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+]1CCN(c2ccc(-n3c(N)[nH+]c4ccc(C)cc43)cc2)CC1 ZINC001175779493 1385402516 /nfs/dbraw/zinc/40/25/16/1385402516.db2.gz IMXHTZUOVYWFFT-UHFFFAOYSA-N 2 0 335.455 3.058 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175875087 1385427725 /nfs/dbraw/zinc/42/77/25/1385427725.db2.gz XMMKLMMTIUQTKD-LJQANCHMSA-N 2 0 349.563 3.483 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967594 1385447618 /nfs/dbraw/zinc/44/76/18/1385447618.db2.gz MACHTDLUVWCMEE-SJLPKXTDSA-N 2 0 343.531 3.120 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165243 1385500647 /nfs/dbraw/zinc/50/06/47/1385500647.db2.gz KGGAFHUZJFNXBO-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231225 1385521614 /nfs/dbraw/zinc/52/16/14/1385521614.db2.gz QRNHEHUXEJKJDI-DKFQHHCZSA-N 2 0 325.541 3.339 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176269565 1385533295 /nfs/dbraw/zinc/53/32/95/1385533295.db2.gz VTKAIENMTQHLIQ-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP COCC[C@@H](c1ccccc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176280337 1385537965 /nfs/dbraw/zinc/53/79/65/1385537965.db2.gz AGYQLFXIYMMRKP-XLIONFOSSA-N 2 0 325.456 3.370 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176285032 1385538434 /nfs/dbraw/zinc/53/84/34/1385538434.db2.gz LXIPEQBGUBHAHE-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176285772 1385539554 /nfs/dbraw/zinc/53/95/54/1385539554.db2.gz RBYLWQYRRJZGEF-ROUUACIJSA-N 2 0 333.520 3.354 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001317856905 1385542027 /nfs/dbraw/zinc/54/20/27/1385542027.db2.gz KPXXQRNXOHUKRS-AZUAARDMSA-N 2 0 345.531 3.260 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317973259 1385594181 /nfs/dbraw/zinc/59/41/81/1385594181.db2.gz SHLYTCGCBWRDHZ-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)n1ccnc1 ZINC001318028348 1385611124 /nfs/dbraw/zinc/61/11/24/1385611124.db2.gz SUXDZNMLAFAEGS-INIZCTEOSA-N 2 0 326.444 3.459 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1F)NC(=O)C[NH+]1CCCC1 ZINC001176591621 1385634594 /nfs/dbraw/zinc/63/45/94/1385634594.db2.gz NBGPGYUVHPQEAX-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176738193 1385677289 /nfs/dbraw/zinc/67/72/89/1385677289.db2.gz PNOAZVONTRBZLA-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCCF)[NH+]1CCCCC1 ZINC001176753793 1385683964 /nfs/dbraw/zinc/68/39/64/1385683964.db2.gz NDBCWJCATYJHDN-QZTJIDSGSA-N 2 0 343.531 3.121 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CCC)CC1 ZINC001318462102 1385707072 /nfs/dbraw/zinc/70/70/72/1385707072.db2.gz PYHMLVYQKAHKRE-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CCCC[NH+]1CCCC1 ZINC001176814076 1385711190 /nfs/dbraw/zinc/71/11/90/1385711190.db2.gz FCLAADBRTRXXKV-NLZINVLXSA-N 2 0 343.943 3.270 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001176936881 1385748797 /nfs/dbraw/zinc/74/87/97/1385748797.db2.gz FGXANTCOJIJCQE-RTBURBONSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001176975126 1385759429 /nfs/dbraw/zinc/75/94/29/1385759429.db2.gz KBCOGUKANYPGNK-QGZVFWFLSA-N 2 0 339.911 3.227 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001176992286 1385765512 /nfs/dbraw/zinc/76/55/12/1385765512.db2.gz LGLHCRREIALBMS-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP Cc1cccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001176992734 1385767245 /nfs/dbraw/zinc/76/72/45/1385767245.db2.gz ZCABSADPCNZGQH-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001176997540 1385768432 /nfs/dbraw/zinc/76/84/32/1385768432.db2.gz QOMNYXQTVKLCKR-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1)c1ccccc1 ZINC001318955475 1385895511 /nfs/dbraw/zinc/89/55/11/1385895511.db2.gz ARIGNOSHIJSYCA-WDSOQIARSA-N 2 0 343.515 3.249 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001318961242 1385899659 /nfs/dbraw/zinc/89/96/59/1385899659.db2.gz LCQMMIYPVHLRMQ-IYARVYRRSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]CC2CC(C)(C)C2)o1 ZINC001177317778 1385912070 /nfs/dbraw/zinc/91/20/70/1385912070.db2.gz FPDIXDASMFMTMV-UHFFFAOYSA-N 2 0 349.519 3.267 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001177336440 1385918964 /nfs/dbraw/zinc/91/89/64/1385918964.db2.gz GASHBSNUMCZQHI-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP C[NH+](C)[C@H](C(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1)C1CC1 ZINC001177339626 1385919727 /nfs/dbraw/zinc/91/97/27/1385919727.db2.gz MBXZEOLDUMJPPL-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001177342442 1385921142 /nfs/dbraw/zinc/92/11/42/1385921142.db2.gz NHTPREDBPWUYRQ-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177352897 1385926250 /nfs/dbraw/zinc/92/62/50/1385926250.db2.gz PURBDEPXGADOMP-UHFFFAOYSA-N 2 0 343.531 3.075 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177462996 1385965023 /nfs/dbraw/zinc/96/50/23/1385965023.db2.gz JLVFZRZYFKCKQR-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177488453 1385975988 /nfs/dbraw/zinc/97/59/88/1385975988.db2.gz DRVFRKUHHNWVMS-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177489214 1385976390 /nfs/dbraw/zinc/97/63/90/1385976390.db2.gz URLPKPRVIFVGDH-UXBLZVDNSA-N 2 0 343.943 3.078 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001178045183 1386114673 /nfs/dbraw/zinc/11/46/73/1386114673.db2.gz FXKQYUMTNNCAIC-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001178045224 1386114902 /nfs/dbraw/zinc/11/49/02/1386114902.db2.gz GSEGPDZFXBPIFI-PKOBYXMFSA-N 2 0 331.504 3.108 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178472486 1386227764 /nfs/dbraw/zinc/22/77/64/1386227764.db2.gz WFWJHVZLNCGUNF-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483639 1386230807 /nfs/dbraw/zinc/23/08/07/1386230807.db2.gz HCXBKGAMQZNCBP-PMACEKPBSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178484611 1386231492 /nfs/dbraw/zinc/23/14/92/1386231492.db2.gz WWRDBEYZBZQJSR-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001319708823 1386262388 /nfs/dbraw/zinc/26/23/88/1386262388.db2.gz GGTKXHHPEYTPSQ-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001319708825 1386262544 /nfs/dbraw/zinc/26/25/44/1386262544.db2.gz GGTKXHHPEYTPSQ-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178693400 1386280069 /nfs/dbraw/zinc/28/00/69/1386280069.db2.gz PTXATOSFGHHXRK-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001178702820 1386283515 /nfs/dbraw/zinc/28/35/15/1386283515.db2.gz WGZDBGDZJLXOKG-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178728722 1386291104 /nfs/dbraw/zinc/29/11/04/1386291104.db2.gz CBLXKNDPZKYTAO-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178759396 1386296027 /nfs/dbraw/zinc/29/60/27/1386296027.db2.gz JHFDNYXOTBOYQW-DVBCCOPCSA-N 2 0 325.541 3.195 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808590 1386313062 /nfs/dbraw/zinc/31/30/62/1386313062.db2.gz NWOJCTINAFSFSK-SFHVURJKSA-N 2 0 337.552 3.175 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178854192 1386329938 /nfs/dbraw/zinc/32/99/38/1386329938.db2.gz XUSLWDGEMBEXQH-UHFFFAOYSA-N 2 0 327.557 3.419 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178938843 1386354969 /nfs/dbraw/zinc/35/49/69/1386354969.db2.gz QYUSBSQNQZSARS-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCCCCC[NH2+]CCC2CC2)CCCC1 ZINC001179139479 1386408753 /nfs/dbraw/zinc/40/87/53/1386408753.db2.gz MBYZWHLHXWORCP-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1CCCC1 ZINC001319946072 1386408908 /nfs/dbraw/zinc/40/89/08/1386408908.db2.gz DJISJBQKAOXEHM-IBGZPJMESA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179239215 1386428785 /nfs/dbraw/zinc/42/87/85/1386428785.db2.gz XBNUKCAIKWCKHD-RDJZCZTQSA-N 2 0 349.544 3.092 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239200 1386429032 /nfs/dbraw/zinc/42/90/32/1386429032.db2.gz WNNQZDVPYBJZMV-LUNNPTDRSA-N 2 0 335.536 3.186 20 0 EGADRP Cc1cccnc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001319991467 1386440241 /nfs/dbraw/zinc/44/02/41/1386440241.db2.gz AJARZXLZPOVTAN-ROUUACIJSA-N 2 0 339.483 3.289 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)C1 ZINC001179358020 1386462907 /nfs/dbraw/zinc/46/29/07/1386462907.db2.gz QPGPBMZALJLTJL-QZTJIDSGSA-N 2 0 343.531 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CC2CCCCC2)C1 ZINC001320035551 1386466460 /nfs/dbraw/zinc/46/64/60/1386466460.db2.gz UBHZWNVLLSJQKD-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C)[NH+](CC)CC ZINC001179516982 1386504071 /nfs/dbraw/zinc/50/40/71/1386504071.db2.gz JWVWMLUBUOPDHY-SNRMKQJTSA-N 2 0 349.494 3.025 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)C)[NH+](CC)CC ZINC001179565207 1386515889 /nfs/dbraw/zinc/51/58/89/1386515889.db2.gz MPBJEYJLZLSVOL-SFHVURJKSA-N 2 0 327.557 3.419 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179590706 1386525550 /nfs/dbraw/zinc/52/55/50/1386525550.db2.gz KZFUFVDEVPHVQK-MJGOQNOKSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592965 1386526853 /nfs/dbraw/zinc/52/68/53/1386526853.db2.gz SBTUPEAUDOKQAT-UHFFFAOYSA-N 2 0 325.541 3.197 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C)c1ccccc1 ZINC001179744044 1386569705 /nfs/dbraw/zinc/56/97/05/1386569705.db2.gz DSOBXGLGZOGRPR-UHOSZYNNSA-N 2 0 331.504 3.059 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001179746552 1386570599 /nfs/dbraw/zinc/57/05/99/1386570599.db2.gz WVQIUEIKLAMXGB-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001179746820 1386570814 /nfs/dbraw/zinc/57/08/14/1386570814.db2.gz YSQUDYUNDKPIHS-SFHVURJKSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001179777373 1386581331 /nfs/dbraw/zinc/58/13/31/1386581331.db2.gz VQLXNQCBNRKXTQ-KRWDZBQOSA-N 2 0 336.524 3.291 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC001320364966 1386589138 /nfs/dbraw/zinc/58/91/38/1386589138.db2.gz SQEPMURKFLRPHR-CVEARBPZSA-N 2 0 341.499 3.355 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001179850840 1386607113 /nfs/dbraw/zinc/60/71/13/1386607113.db2.gz NWKBZLCWOKYFLJ-GOSISDBHSA-N 2 0 333.520 3.356 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)[C@@H]1C ZINC001179979434 1386656737 /nfs/dbraw/zinc/65/67/37/1386656737.db2.gz XWULRBXAIBMEFQ-HBFSDRIKSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068278 1386686747 /nfs/dbraw/zinc/68/67/47/1386686747.db2.gz DWTPQXWCOFNFLT-GOSISDBHSA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001180121755 1386704212 /nfs/dbraw/zinc/70/42/12/1386704212.db2.gz UXDWUZSMPDIDCS-SDNWHVSQSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180259774 1386748787 /nfs/dbraw/zinc/74/87/87/1386748787.db2.gz MGBYWBFNQBHEPY-MOPGFXCFSA-N 2 0 345.531 3.274 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272721 1386751266 /nfs/dbraw/zinc/75/12/66/1386751266.db2.gz ODCWPQLDVSARFC-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCCCCC[NH2+]CCC2CC2)c1 ZINC001180356526 1386773271 /nfs/dbraw/zinc/77/32/71/1386773271.db2.gz CEGCGIRPLJOXDD-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001180365939 1386775377 /nfs/dbraw/zinc/77/53/77/1386775377.db2.gz PBKVDCSOYBCETL-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCCCCC[NH2+]C/C=C\Cl ZINC001180451710 1386801038 /nfs/dbraw/zinc/80/10/38/1386801038.db2.gz GTHUZUMVWZQWPH-LUAWRHEFSA-N 2 0 343.943 3.271 20 0 EGADRP COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001321283847 1386867058 /nfs/dbraw/zinc/86/70/58/1386867058.db2.gz TVUQQJWZWCKLOT-OAHLLOKOSA-N 2 0 345.512 3.359 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)cc2)cn1 ZINC001321318664 1386874890 /nfs/dbraw/zinc/87/48/90/1386874890.db2.gz NENZOHDGGSPAFL-UHFFFAOYSA-N 2 0 338.499 3.395 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001180809598 1386878061 /nfs/dbraw/zinc/87/80/61/1386878061.db2.gz GQSOJODMJUFZOP-OAGGEKHMSA-N 2 0 346.462 3.208 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2)cc1 ZINC001181140054 1386943659 /nfs/dbraw/zinc/94/36/59/1386943659.db2.gz HDFXTFAFKYDSAU-UHFFFAOYSA-N 2 0 339.483 3.251 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CCC34CCCC4)c2)CC1 ZINC001321796937 1386985970 /nfs/dbraw/zinc/98/59/70/1386985970.db2.gz LENIOKGEDWOMLG-FQEVSTJZSA-N 2 0 327.516 3.246 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181672687 1387036191 /nfs/dbraw/zinc/03/61/91/1387036191.db2.gz YWWDABYVIFEXGM-VWICVCDTSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007800 1387093643 /nfs/dbraw/zinc/09/36/43/1387093643.db2.gz ZXSVNVDPJFUZKH-WYTZPYIFSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322229279 1387110857 /nfs/dbraw/zinc/11/08/57/1387110857.db2.gz AAHNOYNUSHPVID-CRAIPNDOSA-N 2 0 349.494 3.055 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182590776 1387192738 /nfs/dbraw/zinc/19/27/38/1387192738.db2.gz SZTHSBKAOLUIJR-CZHQAMEJSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC001322643589 1387218559 /nfs/dbraw/zinc/21/85/59/1387218559.db2.gz RPGDVDIPAKTIDM-NRFANRHFSA-N 2 0 335.495 3.086 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001182806179 1387227503 /nfs/dbraw/zinc/22/75/03/1387227503.db2.gz AIMHQDXDRVLHDQ-SLYNCCJLSA-N 2 0 349.563 3.124 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001329612549 1389183779 /nfs/dbraw/zinc/18/37/79/1389183779.db2.gz NDFZJYBZCTULDN-SFHLNBCPSA-N 2 0 343.515 3.005 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2c(C)cccc2C)CC1 ZINC001698718085 1406362340 /nfs/dbraw/zinc/36/23/40/1406362340.db2.gz QQPUEFPQOIXACT-WGSAOQKQSA-N 2 0 345.531 3.162 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cccnc3N(C)C)CC2)CC1 ZINC001329753385 1389219179 /nfs/dbraw/zinc/21/91/79/1389219179.db2.gz DKPOANURDDSYHT-UHFFFAOYSA-N 2 0 330.520 3.280 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccc(C)cc1 ZINC001329936218 1389265640 /nfs/dbraw/zinc/26/56/40/1389265640.db2.gz JYWUWQQOWODEKT-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@H+](CCCC(C)(C)C)C2 ZINC001330502180 1389434855 /nfs/dbraw/zinc/43/48/55/1389434855.db2.gz PIBBDPHAUUFXOM-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[N@H+](CCCC1CCC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001331073674 1389620260 /nfs/dbraw/zinc/62/02/60/1389620260.db2.gz ALSCIXWYOCSCFO-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C/C=C/c1ccccc1 ZINC001331562471 1389800521 /nfs/dbraw/zinc/80/05/21/1389800521.db2.gz ZHGGNXGNLJDGCJ-LVMGUKCRSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]2CCCCC2)cc1 ZINC001331645354 1389843512 /nfs/dbraw/zinc/84/35/12/1389843512.db2.gz XDQQZGCAPNLQGI-IBGZPJMESA-N 2 0 345.531 3.198 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001332199540 1390036748 /nfs/dbraw/zinc/03/67/48/1390036748.db2.gz QDOPQOJKQTVNFU-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001332292661 1390077868 /nfs/dbraw/zinc/07/78/68/1390077868.db2.gz NFBSYPLLUKZHGT-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]([NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC001332839879 1390197923 /nfs/dbraw/zinc/19/79/23/1390197923.db2.gz BEILKRWPSFAJBG-WMZOPIPTSA-N 2 0 333.520 3.210 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001332862734 1390204446 /nfs/dbraw/zinc/20/44/46/1390204446.db2.gz ZUFUJVMCKRYEHK-GOSISDBHSA-N 2 0 339.568 3.275 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001698767639 1406425673 /nfs/dbraw/zinc/42/56/73/1406425673.db2.gz XPECQROCDIRZCV-OALUTQOASA-N 2 0 345.531 3.101 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001698767641 1406425984 /nfs/dbraw/zinc/42/59/84/1406425984.db2.gz XPECQROCDIRZCV-RTBURBONSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc2)C1 ZINC001340107495 1390227970 /nfs/dbraw/zinc/22/79/70/1390227970.db2.gz YOOWTTJMJMGWEO-YJBOKZPZSA-N 2 0 347.503 3.109 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@]12CC[NH2+][C@H]1CCCC2)c1ccccc1 ZINC001340220408 1390252817 /nfs/dbraw/zinc/25/28/17/1390252817.db2.gz SKGOSSNFFBJGKQ-PLMTUMEDSA-N 2 0 343.515 3.154 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCC1([NH+]2CCCC2)CCOCC1 ZINC001340377080 1390279352 /nfs/dbraw/zinc/27/93/52/1390279352.db2.gz ZYYJISPOVGDBBP-UHFFFAOYSA-N 2 0 325.456 3.022 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc1OC ZINC001333841888 1390420273 /nfs/dbraw/zinc/42/02/73/1390420273.db2.gz OZADHKHMQDOYOC-KSZLIROESA-N 2 0 332.488 3.256 20 0 EGADRP c1ccc(N2CCCC2)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC001333845897 1390421400 /nfs/dbraw/zinc/42/14/00/1390421400.db2.gz GRSSZOMYNCPJPG-UHFFFAOYSA-N 2 0 327.516 3.498 20 0 EGADRP CCCCC[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001341041108 1390430543 /nfs/dbraw/zinc/43/05/43/1390430543.db2.gz NOBHTLXIGORUAT-QRQLOZEOSA-N 2 0 335.536 3.020 20 0 EGADRP COc1ccc2[nH+]ccc(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c2c1 ZINC001334337171 1390519696 /nfs/dbraw/zinc/51/96/96/1390519696.db2.gz RXCUMWWWFIJSGA-XHSDSOJGSA-N 2 0 325.456 3.410 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(Cl)cc1O ZINC001334358149 1390524546 /nfs/dbraw/zinc/52/45/46/1390524546.db2.gz WYDZBNCOPDJTPR-GUTXKFCHSA-N 2 0 338.879 3.216 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001335133863 1390646857 /nfs/dbraw/zinc/64/68/57/1390646857.db2.gz LLANUISDDBBEJI-XHSDSOJGSA-N 2 0 336.549 3.151 20 0 EGADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001335134562 1390647401 /nfs/dbraw/zinc/64/74/01/1390647401.db2.gz TUEHNHSBLWGSJK-RCCFBDPRSA-N 2 0 332.488 3.256 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001351288021 1391621849 /nfs/dbraw/zinc/62/18/49/1391621849.db2.gz KNTVYTSKZBOVTN-RBUKOAKNSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001488872163 1391737484 /nfs/dbraw/zinc/73/74/84/1391737484.db2.gz JTONPNHTGJNEQJ-IYARVYRRSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC(C)(C)C[NH3+] ZINC001353468882 1392017553 /nfs/dbraw/zinc/01/75/53/1392017553.db2.gz JFMGSJMXYYECBI-MRXNPFEDSA-N 2 0 331.504 3.052 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001480267415 1392651843 /nfs/dbraw/zinc/65/18/43/1392651843.db2.gz MQPRZCMEOLKIGJ-HXUWFJFHSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001480380749 1392723883 /nfs/dbraw/zinc/72/38/83/1392723883.db2.gz XKCISLABCDLYIF-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCc1cccc(C[NH+](C)[C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)c1 ZINC001480740428 1392906508 /nfs/dbraw/zinc/90/65/08/1392906508.db2.gz YZOPGBASOIUEBE-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCC[N@H+](C)CC2CCCCC2)cc1 ZINC001480913888 1393016319 /nfs/dbraw/zinc/01/63/19/1393016319.db2.gz QWESVWYCXBSZJV-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001480975712 1393060118 /nfs/dbraw/zinc/06/01/18/1393060118.db2.gz ZRUUTPBQRBERQQ-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001481216298 1393150266 /nfs/dbraw/zinc/15/02/66/1393150266.db2.gz XKKCGVFIYUQVSB-QFBILLFUSA-N 2 0 331.504 3.013 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001490418870 1394219789 /nfs/dbraw/zinc/21/97/89/1394219789.db2.gz WBQGUHONYMGEIS-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001490606064 1394280352 /nfs/dbraw/zinc/28/03/52/1394280352.db2.gz PYWGPYCRGZHKTG-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491302808 1394502437 /nfs/dbraw/zinc/50/24/37/1394502437.db2.gz YWGBMBDZWYKXAE-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC001698970397 1406732816 /nfs/dbraw/zinc/73/28/16/1406732816.db2.gz IHDULZQGGSSUEY-FXAWDEMLSA-N 2 0 345.531 3.210 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001482480513 1395034075 /nfs/dbraw/zinc/03/40/75/1395034075.db2.gz MSGXNVYGFNFSJB-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCCCCC1 ZINC001482535138 1395075950 /nfs/dbraw/zinc/07/59/50/1395075950.db2.gz WMTUECZHRATMFB-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001483938019 1395152611 /nfs/dbraw/zinc/15/26/11/1395152611.db2.gz OFTDHOOCDFZADG-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001484762021 1395514737 /nfs/dbraw/zinc/51/47/37/1395514737.db2.gz NJOWNGPHYAVHNQ-IBGZPJMESA-N 2 0 345.531 3.260 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001484995066 1395639962 /nfs/dbraw/zinc/63/99/62/1395639962.db2.gz FUZJGIUTNSINKT-ROUUACIJSA-N 2 0 343.515 3.169 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1cccc2ccccc21 ZINC001485346215 1395817966 /nfs/dbraw/zinc/81/79/66/1395817966.db2.gz RKPAZTJGEPRPST-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001485714211 1396114036 /nfs/dbraw/zinc/11/40/36/1396114036.db2.gz BVSZHDBQNPATRN-YLJYHZDGSA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2ccc(C)c(C)c2)CC1 ZINC001485766704 1396143047 /nfs/dbraw/zinc/14/30/47/1396143047.db2.gz OHQBKBOSXPHQAF-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1F ZINC001485930697 1396170196 /nfs/dbraw/zinc/17/01/96/1396170196.db2.gz WNINPUIBMJAZRR-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)cc1C ZINC001485960559 1396174123 /nfs/dbraw/zinc/17/41/23/1396174123.db2.gz IJIQGPDGIQTZAT-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001503503181 1396257726 /nfs/dbraw/zinc/25/77/26/1396257726.db2.gz XGDWBYOUZKSWBR-ZWKOTPCHSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1ccccc1F ZINC001492442113 1396322333 /nfs/dbraw/zinc/32/23/33/1396322333.db2.gz UILKJHIAFMUESW-QFBILLFUSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CCCC1 ZINC001495204702 1396524354 /nfs/dbraw/zinc/52/43/54/1396524354.db2.gz CJKSSXFTEWERHG-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001496417615 1396700858 /nfs/dbraw/zinc/70/08/58/1396700858.db2.gz BJHGBAMFHYOULH-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001699010993 1406840168 /nfs/dbraw/zinc/84/01/68/1406840168.db2.gz JHOSDRIZXDELBF-KRWDZBQOSA-N 2 0 349.494 3.153 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001689912102 1404205584 /nfs/dbraw/zinc/20/55/84/1404205584.db2.gz QDRMVMGGZWRUNT-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCCCC2)CC1 ZINC001690452400 1404578375 /nfs/dbraw/zinc/57/83/75/1404578375.db2.gz DFGJHFMHXGZXOP-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001690632440 1404665771 /nfs/dbraw/zinc/66/57/71/1404665771.db2.gz YUVTXPPDZHHJNM-DLBZAZTESA-N 2 0 339.483 3.217 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001725174255 1425687936 /nfs/dbraw/zinc/68/79/36/1425687936.db2.gz SQIIEERBDMJGTI-XLIONFOSSA-N 2 0 347.547 3.333 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001725176230 1425692736 /nfs/dbraw/zinc/69/27/36/1425692736.db2.gz YDCCUSJRTURVDM-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690780952 1404728851 /nfs/dbraw/zinc/72/88/51/1404728851.db2.gz NMDPBFLQXOPKHQ-OALUTQOASA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001690784263 1404731429 /nfs/dbraw/zinc/73/14/29/1404731429.db2.gz IXUKBIRHUNAOAN-RTBURBONSA-N 2 0 349.494 3.015 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001690784853 1404732481 /nfs/dbraw/zinc/73/24/81/1404732481.db2.gz NPRFERPHSZXVJN-JFYHIKNKSA-N 2 0 343.515 3.059 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001690786996 1404733882 /nfs/dbraw/zinc/73/38/82/1404733882.db2.gz DNTORLOILRWUQG-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001690978624 1404888898 /nfs/dbraw/zinc/88/88/98/1404888898.db2.gz YDTNGDINSYSYEQ-MSOLQXFVSA-N 2 0 345.531 3.261 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@H](C)c1cccc(C)c1 ZINC001691020258 1404933523 /nfs/dbraw/zinc/93/35/23/1404933523.db2.gz PZSPJBYYMQUMKV-UYAOXDASSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001691047419 1404959637 /nfs/dbraw/zinc/95/96/37/1404959637.db2.gz BHGXFPXEPHRTAY-RHSMWYFYSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001725505225 1426187470 /nfs/dbraw/zinc/18/74/70/1426187470.db2.gz KGYUXWKAOHTFTI-IRXDYDNUSA-N 2 0 333.520 3.162 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691147343 1405080065 /nfs/dbraw/zinc/08/00/65/1405080065.db2.gz UTRIXINEPGOWCP-CADBVGFASA-N 2 0 337.552 3.026 20 0 EGADRP CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccc(C(C)C)cc1 ZINC001691766954 1405479112 /nfs/dbraw/zinc/47/91/12/1405479112.db2.gz IGAVCAOODBYONN-LJQANCHMSA-N 2 0 331.504 3.061 20 0 EGADRP C[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001732052064 1428293077 /nfs/dbraw/zinc/29/30/77/1428293077.db2.gz CLROBYKZRSPFCY-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732075085 1428326523 /nfs/dbraw/zinc/32/65/23/1428326523.db2.gz NCPCQFQMSNMMQT-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001699204514 1412572913 /nfs/dbraw/zinc/57/29/13/1412572913.db2.gz MCSCSRSLBYYBJH-KRWDZBQOSA-N 2 0 333.520 3.164 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001699383954 1412694102 /nfs/dbraw/zinc/69/41/02/1412694102.db2.gz LGNCCPMHZYHIGI-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001699414175 1412728904 /nfs/dbraw/zinc/72/89/04/1412728904.db2.gz SZRXDVJUHNKJLO-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001699428773 1412745362 /nfs/dbraw/zinc/74/53/62/1412745362.db2.gz OWJROWMGRJSPPP-AOCRQIFASA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001699462723 1412820261 /nfs/dbraw/zinc/82/02/61/1412820261.db2.gz AVJBTLYFOFQYPH-SJLPKXTDSA-N 2 0 339.568 3.226 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001699481222 1412875408 /nfs/dbraw/zinc/87/54/08/1412875408.db2.gz GIWAPCODGGYBEZ-PMACEKPBSA-N 2 0 345.531 3.101 20 0 EGADRP C[N@H+](CC(=O)NCC[NH+](CCF)C1CCCCCC1)CC(C)(C)C ZINC001699683212 1413078048 /nfs/dbraw/zinc/07/80/48/1413078048.db2.gz HWZGAUVJICRNEH-UHFFFAOYSA-N 2 0 343.531 3.075 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001699737710 1413149042 /nfs/dbraw/zinc/14/90/42/1413149042.db2.gz JIJCHRANJIXQNL-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCc2ccc([C@H](C)[NH2+]CCF)cc2)CC1 ZINC001700098700 1413515599 /nfs/dbraw/zinc/51/55/99/1413515599.db2.gz IWQJKILENWSMKB-INIZCTEOSA-N 2 0 349.494 3.043 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001700102882 1413521133 /nfs/dbraw/zinc/52/11/33/1413521133.db2.gz DXSJPGGYANSICO-MXVIHJGJSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001700327533 1413797629 /nfs/dbraw/zinc/79/76/29/1413797629.db2.gz MADQWGMLDHQFAJ-OALUTQOASA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001700365307 1413887748 /nfs/dbraw/zinc/88/77/48/1413887748.db2.gz VJAWFBQDPOQQCJ-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700478490 1414110722 /nfs/dbraw/zinc/11/07/22/1414110722.db2.gz QBRWMYHIGPPUOF-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700488434 1414137647 /nfs/dbraw/zinc/13/76/47/1414137647.db2.gz YLLWGVITKMDQBI-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001700777033 1414457151 /nfs/dbraw/zinc/45/71/51/1414457151.db2.gz CINDPNWJYGEZSX-OALUTQOASA-N 2 0 345.531 3.450 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732702578 1428917198 /nfs/dbraw/zinc/91/71/98/1428917198.db2.gz OEMRSLDOMMCWEE-DLBZAZTESA-N 2 0 331.504 3.025 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001733007281 1429128053 /nfs/dbraw/zinc/12/80/53/1429128053.db2.gz RMKDJWKFPNOWFL-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC(C)C)CC2 ZINC001707123537 1417210709 /nfs/dbraw/zinc/21/07/09/1417210709.db2.gz FQQDRBSOVRGKAD-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001733043009 1429172895 /nfs/dbraw/zinc/17/28/95/1429172895.db2.gz BRRJYQJSEMKSLP-SJLPKXTDSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713279463 1417905201 /nfs/dbraw/zinc/90/52/01/1417905201.db2.gz ZNRHFYPPCIJSEH-ROUUACIJSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001713279875 1417905929 /nfs/dbraw/zinc/90/59/29/1417905929.db2.gz VPCIARVKXLWSOU-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP C[N@H+](CC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1)C1CCC1 ZINC001713287529 1417914912 /nfs/dbraw/zinc/91/49/12/1417914912.db2.gz HNAPDKDVFISEEC-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]([NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1)c1ccccc1 ZINC001713288739 1417916130 /nfs/dbraw/zinc/91/61/30/1417916130.db2.gz FEWDTOISTOEDCF-IVMQYODDSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713291661 1417919535 /nfs/dbraw/zinc/91/95/35/1417919535.db2.gz TZTFBPUYKPHYPG-IVMQYODDSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001713328739 1417953457 /nfs/dbraw/zinc/95/34/57/1417953457.db2.gz ZHYARDITAGGUAQ-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001713493358 1418195149 /nfs/dbraw/zinc/19/51/49/1418195149.db2.gz HPTMTFIWZHHFEG-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001713700139 1418456897 /nfs/dbraw/zinc/45/68/97/1418456897.db2.gz DZSBYXNMOLMJDG-IBGZPJMESA-N 2 0 345.531 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001713792970 1418611781 /nfs/dbraw/zinc/61/17/81/1418611781.db2.gz AWJNSGCHFGUMDA-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001713826091 1418626342 /nfs/dbraw/zinc/62/63/42/1418626342.db2.gz ULAWJPTYSOPQQG-FNYRVFDFSA-N 2 0 335.536 3.044 20 0 EGADRP CCCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001713857936 1418654722 /nfs/dbraw/zinc/65/47/22/1418654722.db2.gz DLIMFJAOSQTYJO-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001714088532 1418881856 /nfs/dbraw/zinc/88/18/56/1418881856.db2.gz LBPUJMNXHCKZSZ-PKOBYXMFSA-N 2 0 343.515 3.169 20 0 EGADRP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1cccc(C)c1 ZINC001714117003 1418920413 /nfs/dbraw/zinc/92/04/13/1418920413.db2.gz XAOPEANUFRSPPO-HXUWFJFHSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001714214675 1419012844 /nfs/dbraw/zinc/01/28/44/1419012844.db2.gz RBVUQSYQQUEEEX-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001714307045 1419086674 /nfs/dbraw/zinc/08/66/74/1419086674.db2.gz QGCURQPLVSKXTK-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001714308379 1419088242 /nfs/dbraw/zinc/08/82/42/1419088242.db2.gz CVKIUMZEGPYTJC-QGZVFWFLSA-N 2 0 343.515 3.034 20 0 EGADRP C[N@H+](CCC(=O)NCC1([NH2+]CC2CC2)CCCC1)C1CCCCC1 ZINC001714500336 1419226427 /nfs/dbraw/zinc/22/64/27/1419226427.db2.gz LNRIORVDLKYYLN-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001714556515 1419283969 /nfs/dbraw/zinc/28/39/69/1419283969.db2.gz QJPTWPIKDSIWLX-UYAOXDASSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001714717718 1419482663 /nfs/dbraw/zinc/48/26/63/1419482663.db2.gz QXVCXHOKLCOXQI-YLJYHZDGSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001714728422 1419485580 /nfs/dbraw/zinc/48/55/80/1419485580.db2.gz UIHSNYVBFYNQMD-APWZRJJASA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)N(C)C(=O)CCC[NH+](C)C ZINC001714741936 1419489913 /nfs/dbraw/zinc/48/99/13/1419489913.db2.gz DQAYUXMHGZEWHM-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001714754075 1419494968 /nfs/dbraw/zinc/49/49/68/1419494968.db2.gz XWPCJJSXAOLYHC-KRWDZBQOSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714822378 1419532792 /nfs/dbraw/zinc/53/27/92/1419532792.db2.gz ZAOLVKZKKWXKQL-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001715029255 1419761927 /nfs/dbraw/zinc/76/19/27/1419761927.db2.gz FVYJQJHJVSOTIS-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C)cc1C ZINC001715083117 1419820573 /nfs/dbraw/zinc/82/05/73/1419820573.db2.gz FUTKTHGGAZLDPC-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001715191555 1419923636 /nfs/dbraw/zinc/92/36/36/1419923636.db2.gz SXVYJQVSXTYITH-IHPCNDPISA-N 2 0 345.531 3.415 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715213005 1419945170 /nfs/dbraw/zinc/94/51/70/1419945170.db2.gz TYSDZNYNRBRCJT-QFBILLFUSA-N 2 0 346.519 3.139 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1 ZINC001715237995 1419968338 /nfs/dbraw/zinc/96/83/38/1419968338.db2.gz DAGKCMFMKNZLIM-IEBWSBKVSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+][C@H](C)c1ccccc1 ZINC001715238545 1419968546 /nfs/dbraw/zinc/96/85/46/1419968546.db2.gz ZQWIFULQNLHWAH-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001715241582 1419970546 /nfs/dbraw/zinc/97/05/46/1419970546.db2.gz VDZMJDUHCIRBAG-MJGOQNOKSA-N 2 0 343.515 3.108 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001715457575 1420138704 /nfs/dbraw/zinc/13/87/04/1420138704.db2.gz HMSARKUCTRQFQB-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C)c1 ZINC001715492567 1420173924 /nfs/dbraw/zinc/17/39/24/1420173924.db2.gz QPFKQTYMJNSEPW-UXHICEINSA-N 2 0 347.547 3.120 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001715496998 1420178246 /nfs/dbraw/zinc/17/82/46/1420178246.db2.gz CKUMNZXOOMTRCA-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001715568080 1420257145 /nfs/dbraw/zinc/25/71/45/1420257145.db2.gz UXYTZDOCZUGSRN-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H]([NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C)c1ccccc1 ZINC001715587007 1420261688 /nfs/dbraw/zinc/26/16/88/1420261688.db2.gz LOUFZWJGLLYUSW-RTBURBONSA-N 2 0 345.531 3.352 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001715998941 1420452517 /nfs/dbraw/zinc/45/25/17/1420452517.db2.gz AHZHMCWTSHRGEZ-AWEZNQCLSA-N 2 0 347.547 3.165 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001716411198 1420641638 /nfs/dbraw/zinc/64/16/38/1420641638.db2.gz BINKDLYGALGOBC-JKIFEVAISA-N 2 0 339.911 3.082 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@]2(C)CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001716849160 1420977810 /nfs/dbraw/zinc/97/78/10/1420977810.db2.gz RUENXVZZZPCQEI-OAQYLSRUSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001716864180 1420993422 /nfs/dbraw/zinc/99/34/22/1420993422.db2.gz BUNLYVHWHMCJHU-UWJYYQICSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001716864178 1420993660 /nfs/dbraw/zinc/99/36/60/1420993660.db2.gz BUNLYVHWHMCJHU-LAUBAEHRSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001716887174 1421010710 /nfs/dbraw/zinc/01/07/10/1421010710.db2.gz CXQRRHWRZDKWEE-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001717106481 1421112384 /nfs/dbraw/zinc/11/23/84/1421112384.db2.gz AROUOZASQGCMPS-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001717153035 1421143436 /nfs/dbraw/zinc/14/34/36/1421143436.db2.gz MAVRXTYJMPQCCV-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC1CC(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001717207669 1421178812 /nfs/dbraw/zinc/17/88/12/1421178812.db2.gz KPPSEGIIBYEZLE-AFMYVXGZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001717312424 1421257710 /nfs/dbraw/zinc/25/77/10/1421257710.db2.gz UPVZUPJWNDEDJY-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001717366381 1421301863 /nfs/dbraw/zinc/30/18/63/1421301863.db2.gz ZDQPTMXVXWZQGG-MRXNPFEDSA-N 2 0 337.533 3.146 20 0 EGADRP Cc1cccc([C@@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001717487702 1421424521 /nfs/dbraw/zinc/42/45/21/1421424521.db2.gz LDHNZQAQGGWVDA-ZWKOTPCHSA-N 2 0 347.547 3.470 20 0 EGADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)[C@H](C)c1ccccc1F ZINC001717493244 1421432159 /nfs/dbraw/zinc/43/21/59/1421432159.db2.gz TYVKRFWQBNPMKG-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCCc2ccccc21 ZINC001717494615 1421434692 /nfs/dbraw/zinc/43/46/92/1421434692.db2.gz KRYYDFXAPNZAMP-FXAWDEMLSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001733410990 1429611154 /nfs/dbraw/zinc/61/11/54/1429611154.db2.gz HBGDKDGJVKCABK-UZLBHIALSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001724022398 1424631901 /nfs/dbraw/zinc/63/19/01/1424631901.db2.gz JRQMQDNHNGASQZ-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724238469 1424749401 /nfs/dbraw/zinc/74/94/01/1424749401.db2.gz DXGFERCUODEIJC-NQIIRXRSSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](C(=O)NCC1(C)CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001724294420 1424779186 /nfs/dbraw/zinc/77/91/86/1424779186.db2.gz NYLVRPHENGTGLG-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724543034 1424902937 /nfs/dbraw/zinc/90/29/37/1424902937.db2.gz DUIJKAGOEFPFFD-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001724614909 1424962301 /nfs/dbraw/zinc/96/23/01/1424962301.db2.gz CNUAUUXTHXEALM-UHFFFAOYSA-N 2 0 345.531 3.134 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001724628813 1424984265 /nfs/dbraw/zinc/98/42/65/1424984265.db2.gz RCFSACUTMNAWDM-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCC1)[NH+]1CCCCC1 ZINC001724802207 1425170684 /nfs/dbraw/zinc/17/06/84/1425170684.db2.gz YNXPJYAGFGRXSO-CTWPCTMYSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001724841394 1425190473 /nfs/dbraw/zinc/19/04/73/1425190473.db2.gz DUNIGHKPZSEKDV-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1C ZINC001724850995 1425213754 /nfs/dbraw/zinc/21/37/54/1425213754.db2.gz JGANBBGGYCWJON-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001724853030 1425219645 /nfs/dbraw/zinc/21/96/45/1425219645.db2.gz SMYQGRCPOKFABY-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001724868830 1425251903 /nfs/dbraw/zinc/25/19/03/1425251903.db2.gz RECNNRXRODJSTE-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001725031000 1425450371 /nfs/dbraw/zinc/45/03/71/1425450371.db2.gz VTEWMLGXKIGVAF-PXPVJAHISA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001725031137 1425450517 /nfs/dbraw/zinc/45/05/17/1425450517.db2.gz YNKHEXGNAZNZFQ-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001725151550 1425636557 /nfs/dbraw/zinc/63/65/57/1425636557.db2.gz VWLDNQJYGZJZSE-QZTJIDSGSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@H](C)c1ccccc1 ZINC001725196798 1425751554 /nfs/dbraw/zinc/75/15/54/1425751554.db2.gz SGAGUSSJCFALJT-QZTJIDSGSA-N 2 0 331.504 3.060 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@H](C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001725468834 1426137911 /nfs/dbraw/zinc/13/79/11/1426137911.db2.gz QLEIAMRQJFPBBE-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001725569264 1426229710 /nfs/dbraw/zinc/22/97/10/1426229710.db2.gz SVRRZLPRVVRLBT-UYAOXDASSA-N 2 0 345.531 3.033 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001725588940 1426245067 /nfs/dbraw/zinc/24/50/67/1426245067.db2.gz QZDJQGPHMNOSDL-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)cc1C ZINC001725612733 1426273902 /nfs/dbraw/zinc/27/39/02/1426273902.db2.gz ACCWCKFCCSASAB-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001731295879 1427238358 /nfs/dbraw/zinc/23/83/58/1427238358.db2.gz JHVPNALPISAORM-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC2CCCC2)CC1 ZINC001731539952 1427544358 /nfs/dbraw/zinc/54/43/58/1427544358.db2.gz XTFWQRWDBDPMTB-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1CC ZINC001731542118 1427552227 /nfs/dbraw/zinc/55/22/27/1427552227.db2.gz LDHGLFKCOMWBOL-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001731642168 1427702504 /nfs/dbraw/zinc/70/25/04/1427702504.db2.gz ZRZBQPXLHGETRX-GOSISDBHSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001731785138 1427914848 /nfs/dbraw/zinc/91/48/48/1427914848.db2.gz DBFYSCBEPYBVST-IBGZPJMESA-N 2 0 349.494 3.057 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001733722086 1429944071 /nfs/dbraw/zinc/94/40/71/1429944071.db2.gz OFMGHHCCVRUQKG-LJQANCHMSA-N 2 0 347.547 3.212 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001733769846 1429998705 /nfs/dbraw/zinc/99/87/05/1429998705.db2.gz QHXUDLNJWPQPIN-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP C[N@H+](CC(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2)CC(C)(C)C ZINC001733911109 1437729200 /nfs/dbraw/zinc/72/92/00/1437729200.db2.gz JHGUQTIUPRMYFN-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001734012635 1437804051 /nfs/dbraw/zinc/80/40/51/1437804051.db2.gz AFUJQWFTZBPDMN-UHFFFAOYSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1c(C(=O)N(C)CC[C@H]([NH2+]C(C)C)C(C)C)ccc2c[nH+]cn21 ZINC001734081287 1437868546 /nfs/dbraw/zinc/86/85/46/1437868546.db2.gz ZJBFRIXBUAXPTK-SFHVURJKSA-N 2 0 330.476 3.127 20 0 EGADRP C[C@H](CN(C)C(=O)c1sccc1C[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001734327368 1438052340 /nfs/dbraw/zinc/05/23/40/1438052340.db2.gz WTCQAUZCKPMJGW-OAHLLOKOSA-N 2 0 345.512 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@@H]1C ZINC001734404425 1438083964 /nfs/dbraw/zinc/08/39/64/1438083964.db2.gz KAJLLCIWFLWATO-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1=CCCCC1 ZINC001751974828 1440130039 /nfs/dbraw/zinc/13/00/39/1440130039.db2.gz GTXDXHZYGDZEBW-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001752155419 1440146973 /nfs/dbraw/zinc/14/69/73/1440146973.db2.gz GQZPVMLPLJYNGR-VQIMIIECSA-N 2 0 349.494 3.025 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001752190041 1440152370 /nfs/dbraw/zinc/15/23/70/1440152370.db2.gz UHWGFILNOCVHCN-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001752391889 1440173505 /nfs/dbraw/zinc/17/35/05/1440173505.db2.gz XOCHPNHXFOOIFN-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)cs1 ZINC001752409895 1440174461 /nfs/dbraw/zinc/17/44/61/1440174461.db2.gz KHACHGCDDQDUEY-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP CCCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001752439782 1440180974 /nfs/dbraw/zinc/18/09/74/1440180974.db2.gz OAUYSBQJMFVOSY-UHFFFAOYSA-N 2 0 349.563 3.388 20 0 EGADRP CCCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001752442244 1440181508 /nfs/dbraw/zinc/18/15/08/1440181508.db2.gz RIZAAWOPORIXHP-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752654853 1440198294 /nfs/dbraw/zinc/19/82/94/1440198294.db2.gz DYDJXLUMLRSFOF-DWRORGKVSA-N 2 0 335.536 3.066 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001752679674 1440199395 /nfs/dbraw/zinc/19/93/95/1440199395.db2.gz CISVSKRFRVLGGB-IYARVYRRSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001752805583 1440215720 /nfs/dbraw/zinc/21/57/20/1440215720.db2.gz SWBIIUQLUABSJA-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001752814310 1440217629 /nfs/dbraw/zinc/21/76/29/1440217629.db2.gz GMBYLUYQFLJMSQ-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001752832530 1440226029 /nfs/dbraw/zinc/22/60/29/1440226029.db2.gz XSGIEBCJCRMPKD-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752836792 1440228213 /nfs/dbraw/zinc/22/82/13/1440228213.db2.gz PVDHZKDYKQIPKY-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001752962385 1440253449 /nfs/dbraw/zinc/25/34/49/1440253449.db2.gz DJWDBONRKOCAOA-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001752976752 1440256228 /nfs/dbraw/zinc/25/62/28/1440256228.db2.gz RDSYMKXKWUBRKI-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752983653 1440257623 /nfs/dbraw/zinc/25/76/23/1440257623.db2.gz NAKSMTLSZZMTIC-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752983655 1440257695 /nfs/dbraw/zinc/25/76/95/1440257695.db2.gz NAKSMTLSZZMTIC-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752991759 1440259666 /nfs/dbraw/zinc/25/96/66/1440259666.db2.gz XSLBHCMZZFFIQF-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001752992991 1440260305 /nfs/dbraw/zinc/26/03/05/1440260305.db2.gz YAIGZAJTACNNIA-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752994354 1440261325 /nfs/dbraw/zinc/26/13/25/1440261325.db2.gz AINXYYDQOOHJSP-GOSISDBHSA-N 2 0 337.552 3.364 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995231 1440261693 /nfs/dbraw/zinc/26/16/93/1440261693.db2.gz QRBAQZUIMQGORI-HBCQFFLPSA-N 2 0 349.563 3.386 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001752996885 1440262584 /nfs/dbraw/zinc/26/25/84/1440262584.db2.gz QHJKKDGGAGVUPU-PKOBYXMFSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001752998858 1440263428 /nfs/dbraw/zinc/26/34/28/1440263428.db2.gz OAMULJFIKKZESL-RBUKOAKNSA-N 2 0 335.536 3.138 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001753020659 1440269856 /nfs/dbraw/zinc/26/98/56/1440269856.db2.gz VYHWYUBFMILCEY-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@H]2CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001753036273 1440274814 /nfs/dbraw/zinc/27/48/14/1440274814.db2.gz VCKAFCJDHAUUKY-LYBXBRPPSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753049407 1440278816 /nfs/dbraw/zinc/27/88/16/1440278816.db2.gz BCNUUWHWDACOSN-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001753131302 1440316821 /nfs/dbraw/zinc/31/68/21/1440316821.db2.gz RHNXAPIKHVDQHX-JLAWEPINSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001753141033 1440321165 /nfs/dbraw/zinc/32/11/65/1440321165.db2.gz TYJZUGIECISTPB-HXUWFJFHSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCC1 ZINC001753148957 1440326629 /nfs/dbraw/zinc/32/66/29/1440326629.db2.gz SSHHOQGGDAWMPA-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC1CC2(CCC2)C1 ZINC001753149658 1440327136 /nfs/dbraw/zinc/32/71/36/1440327136.db2.gz KDJPSEKSNJVRHY-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001753155148 1440330486 /nfs/dbraw/zinc/33/04/86/1440330486.db2.gz CKTMDCHOYKJFLP-FXAWDEMLSA-N 2 0 343.515 3.121 20 0 EGADRP CN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753222649 1440340247 /nfs/dbraw/zinc/34/02/47/1440340247.db2.gz IVKACTOKCTVDBR-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001753282958 1440348021 /nfs/dbraw/zinc/34/80/21/1440348021.db2.gz KGOZNUHISASCBJ-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1=CCCCC1 ZINC001753288501 1440349644 /nfs/dbraw/zinc/34/96/44/1440349644.db2.gz RRQJCECXSZWLFV-UHFFFAOYSA-N 2 0 347.547 3.332 20 0 EGADRP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001753300735 1440353820 /nfs/dbraw/zinc/35/38/20/1440353820.db2.gz ZJOBSWXSPBODAG-VQTJNVASSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001753337135 1440372912 /nfs/dbraw/zinc/37/29/12/1440372912.db2.gz HOXGQBNVXHWPOT-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753341122 1440375405 /nfs/dbraw/zinc/37/54/05/1440375405.db2.gz RCHXZNBVIZHNNP-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001753341230 1440375470 /nfs/dbraw/zinc/37/54/70/1440375470.db2.gz UBCBZXGTGNHTOX-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@H+](CCC1=CCCCC1)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001753367445 1440386060 /nfs/dbraw/zinc/38/60/60/1440386060.db2.gz KCTSKLDLHHKTCN-UHFFFAOYSA-N 2 0 347.547 3.143 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444546 1440403135 /nfs/dbraw/zinc/40/31/35/1440403135.db2.gz SWJBCAOAYKQYGM-MJGOQNOKSA-N 2 0 345.531 3.258 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753449825 1440405397 /nfs/dbraw/zinc/40/53/97/1440405397.db2.gz KBEHWIAMZDRJDG-ZMBJWTFHSA-N 2 0 335.536 3.142 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753449821 1440405557 /nfs/dbraw/zinc/40/55/57/1440405557.db2.gz KBEHWIAMZDRJDG-UEKDZROGSA-N 2 0 335.536 3.142 20 0 EGADRP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCC(C)CC1 ZINC001753477818 1440415624 /nfs/dbraw/zinc/41/56/24/1440415624.db2.gz GLMMNCSENVEDHZ-CTWPCTMYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001753506130 1440424464 /nfs/dbraw/zinc/42/44/64/1440424464.db2.gz STVYWMINFCOEEA-HNNXBMFYSA-N 2 0 342.487 3.321 20 0 EGADRP CCCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001753535064 1440432324 /nfs/dbraw/zinc/43/23/24/1440432324.db2.gz CFKZGGLFMWKKIW-QUCCMNQESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001753535725 1440432471 /nfs/dbraw/zinc/43/24/71/1440432471.db2.gz LOMUKAMVADQEPL-YLJYHZDGSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[NH2+]C[C@@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@@H]1C ZINC001753538053 1440433067 /nfs/dbraw/zinc/43/30/67/1440433067.db2.gz VXKSJAHNWURQAS-UWJYYQICSA-N 2 0 345.531 3.425 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001753559777 1440436737 /nfs/dbraw/zinc/43/67/37/1440436737.db2.gz NOWWMSJXGDAXMN-OALUTQOASA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)CC[NH2+]CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001753578393 1440439727 /nfs/dbraw/zinc/43/97/27/1440439727.db2.gz XXCWRGZHYKGPES-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CCCC1 ZINC001753667641 1440460811 /nfs/dbraw/zinc/46/08/11/1440460811.db2.gz DPAVNHKTTVSPRM-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753709517 1440470164 /nfs/dbraw/zinc/47/01/64/1440470164.db2.gz ZXRGDGSNBYJSGK-LNLFQRSKSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1c(C(=O)N[C@H](C[NH2+]C/C=C\Cl)CC(C)C)ccc2c[nH+]cn21 ZINC001753735670 1440477640 /nfs/dbraw/zinc/47/76/40/1440477640.db2.gz BATOUHNEUYNIPB-QZDDGCDVSA-N 2 0 348.878 3.129 20 0 EGADRP CC(C)C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753738484 1440478501 /nfs/dbraw/zinc/47/85/01/1440478501.db2.gz JXAXVFPEBRYRAO-WDSOQIARSA-N 2 0 337.552 3.027 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001753749617 1440482207 /nfs/dbraw/zinc/48/22/07/1440482207.db2.gz MWRJIOAXCLEMCM-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001753755269 1440483005 /nfs/dbraw/zinc/48/30/05/1440483005.db2.gz PAFIVXBPGYAPJK-HNGSOEQISA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001753786107 1440488085 /nfs/dbraw/zinc/48/80/85/1440488085.db2.gz NHEFVQRWGHDVRB-HXUWFJFHSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@H](C)c1ccccc1 ZINC001753788468 1440488594 /nfs/dbraw/zinc/48/85/94/1440488594.db2.gz PRENIWVAEDBVJX-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1 ZINC001753794887 1440489528 /nfs/dbraw/zinc/48/95/28/1440489528.db2.gz CZRBKQMCBBDIAC-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753798576 1440490309 /nfs/dbraw/zinc/49/03/09/1440490309.db2.gz YLEYCYDCNFAEOE-KKHYBRAUSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001753821245 1440496169 /nfs/dbraw/zinc/49/61/69/1440496169.db2.gz VRAWJPJWGAQNEE-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001753830353 1440499466 /nfs/dbraw/zinc/49/94/66/1440499466.db2.gz VCERZFVZPZGYKL-WOJBJXKFSA-N 2 0 345.531 3.098 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC001753831671 1440499905 /nfs/dbraw/zinc/49/99/05/1440499905.db2.gz YJNZIJOZWXPWMZ-WOJBJXKFSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001753832001 1440500025 /nfs/dbraw/zinc/50/00/25/1440500025.db2.gz FNEVTCHUVTXUHK-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001753835275 1440500787 /nfs/dbraw/zinc/50/07/87/1440500787.db2.gz QSVHVDWBRUXVGD-LJQANCHMSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001753836039 1440500940 /nfs/dbraw/zinc/50/09/40/1440500940.db2.gz WOBUVFVDQBJYFE-QZTJIDSGSA-N 2 0 339.568 3.273 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754024941 1440533105 /nfs/dbraw/zinc/53/31/05/1440533105.db2.gz AJTTXKJBJBJDTD-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754044992 1440535022 /nfs/dbraw/zinc/53/50/22/1440535022.db2.gz AFPSNBRUCACPNA-LPHOPBHVSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754156277 1440545529 /nfs/dbraw/zinc/54/55/29/1440545529.db2.gz JOVNDVDNDIANQB-ZEVQVBBLSA-N 2 0 343.515 3.192 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754288082 1440564397 /nfs/dbraw/zinc/56/43/97/1440564397.db2.gz CKCXIXAYHBRZJP-SFHVURJKSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001754290557 1440565049 /nfs/dbraw/zinc/56/50/49/1440565049.db2.gz FJEANYKBRXDUJD-AOCRQIFASA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001754324033 1440579411 /nfs/dbraw/zinc/57/94/11/1440579411.db2.gz XRQIPKHTDOTVDM-BEFAXECRSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+](C)CC=C(C)C)c1ccccc1 ZINC001754330393 1440583369 /nfs/dbraw/zinc/58/33/69/1440583369.db2.gz KWTPOKJIHKTRCU-HKUYNNGSSA-N 2 0 331.504 3.082 20 0 EGADRP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cs1 ZINC001754379830 1440593156 /nfs/dbraw/zinc/59/31/56/1440593156.db2.gz GWZUZAVTNYLSKD-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001754452637 1440601492 /nfs/dbraw/zinc/60/14/92/1440601492.db2.gz HAWCQOOUQKLIRC-RBUKOAKNSA-N 2 0 349.563 3.170 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1CC ZINC001754466557 1440604339 /nfs/dbraw/zinc/60/43/39/1440604339.db2.gz GEJOWXHKHWGPJE-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CC1CCCC1 ZINC001754468686 1440604876 /nfs/dbraw/zinc/60/48/76/1440604876.db2.gz VPTDIILNEWGJPQ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001754469949 1440605116 /nfs/dbraw/zinc/60/51/16/1440605116.db2.gz GKMPINRKUQIIRD-YZBXUTEPSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001754540251 1440625986 /nfs/dbraw/zinc/62/59/86/1440625986.db2.gz SABDHEYWINKYOG-IPQPSQTFSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754544964 1440626987 /nfs/dbraw/zinc/62/69/87/1440626987.db2.gz PKYSSIBWKLSACK-YGFFAISXSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001754694939 1440666864 /nfs/dbraw/zinc/66/68/64/1440666864.db2.gz IUGMCBWBUZHWMT-QKNQBKEWSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001754707981 1440669583 /nfs/dbraw/zinc/66/95/83/1440669583.db2.gz QUAOOGRVNBQMAO-NGQOVYEWSA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001754733552 1440681145 /nfs/dbraw/zinc/68/11/45/1440681145.db2.gz MZQBFLRNHMDPMW-FPOVZHCZSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([C@H](C)[NH2+]CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001754801444 1440690480 /nfs/dbraw/zinc/69/04/80/1440690480.db2.gz PNXUWTZVXTZMFB-RDJZCZTQSA-N 2 0 342.487 3.129 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC001754869858 1440704568 /nfs/dbraw/zinc/70/45/68/1440704568.db2.gz QTCJWQWZQJCXII-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001754940846 1440711853 /nfs/dbraw/zinc/71/18/53/1440711853.db2.gz XVKAZKWDPJIBKK-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001754982643 1440721677 /nfs/dbraw/zinc/72/16/77/1440721677.db2.gz LURNJLQUUMAHOZ-ROUUACIJSA-N 2 0 335.536 3.212 20 0 EGADRP CCC1([NH2+]CC=C(C)C)CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001755073135 1440747381 /nfs/dbraw/zinc/74/73/81/1440747381.db2.gz HRGCTRIPNOOUQE-UHFFFAOYSA-N 2 0 332.492 3.014 20 0 EGADRP C[N@H+](CCC(=O)N1CCC(C)([NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001755132307 1440757372 /nfs/dbraw/zinc/75/73/72/1440757372.db2.gz VSQHQMGCJJOPEF-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001755170528 1440768563 /nfs/dbraw/zinc/76/85/63/1440768563.db2.gz ZEHCAVJNIHWBNR-GNBUJSLZSA-N 2 0 345.531 3.271 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001755200553 1440779403 /nfs/dbraw/zinc/77/94/03/1440779403.db2.gz IMTPCWPLKKFVKM-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001755204038 1440781518 /nfs/dbraw/zinc/78/15/18/1440781518.db2.gz FXOLHKDAAIADMD-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001755276570 1440799220 /nfs/dbraw/zinc/79/92/20/1440799220.db2.gz NGCPTXXCTBXRPV-GRERDSQWSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001755281574 1440800752 /nfs/dbraw/zinc/80/07/52/1440800752.db2.gz OMDQQWYDTOXHML-FNYRVFDFSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC2(CCC2)C1 ZINC001755306976 1440811424 /nfs/dbraw/zinc/81/14/24/1440811424.db2.gz WGNDBEXJCSKJCD-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+][C@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755351635 1440827931 /nfs/dbraw/zinc/82/79/31/1440827931.db2.gz XLDMPWRXEIDHJP-QZTJIDSGSA-N 2 0 325.541 3.122 20 0 EGADRP CC(C)=CC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001755354712 1440829004 /nfs/dbraw/zinc/82/90/04/1440829004.db2.gz QEKRELCRZSATTM-UHFFFAOYSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CCCC(C)C)CC1 ZINC001755530562 1440867211 /nfs/dbraw/zinc/86/72/11/1440867211.db2.gz IMIRQIXMUCERFR-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755531835 1440867806 /nfs/dbraw/zinc/86/78/06/1440867806.db2.gz CLRPGTQNZAADFL-IEBWSBKVSA-N 2 0 345.531 3.136 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001755587614 1440880667 /nfs/dbraw/zinc/88/06/67/1440880667.db2.gz HQHPIHAGEWUVJD-YLJYHZDGSA-N 2 0 345.531 3.058 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)cc1 ZINC001755619468 1440890107 /nfs/dbraw/zinc/89/01/07/1440890107.db2.gz WWSSQPKGGVKYJO-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)cc1 ZINC001755658725 1440892404 /nfs/dbraw/zinc/89/24/04/1440892404.db2.gz KKMBPWOLZOSCRK-XLIONFOSSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001755687490 1440896215 /nfs/dbraw/zinc/89/62/15/1440896215.db2.gz YJFJADBFQDTLLD-YLJYHZDGSA-N 2 0 345.531 3.029 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001755700098 1440899616 /nfs/dbraw/zinc/89/96/16/1440899616.db2.gz CIOIJLCEEYQTLW-ICSRJNTNSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001755707941 1440902958 /nfs/dbraw/zinc/90/29/58/1440902958.db2.gz KNTCNLGEZWIQNC-XUVXKRRUSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755712180 1440904002 /nfs/dbraw/zinc/90/40/02/1440904002.db2.gz KWWOQPZXTNTPRR-UFYCRDLUSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001755720118 1440907101 /nfs/dbraw/zinc/90/71/01/1440907101.db2.gz CPYFDQMPYPJXGG-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001755722256 1440908031 /nfs/dbraw/zinc/90/80/31/1440908031.db2.gz HEUMSDAVQLYRJT-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001755722980 1440908127 /nfs/dbraw/zinc/90/81/27/1440908127.db2.gz UGTZMFWXVOZYTO-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001755843451 1440932318 /nfs/dbraw/zinc/93/23/18/1440932318.db2.gz IGBUPYZUJCTDHR-ZHALLVOQSA-N 2 0 339.568 3.226 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001755847969 1440933979 /nfs/dbraw/zinc/93/39/79/1440933979.db2.gz AHFRUFALKIFUCG-ABSDTBQOSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@@H](c1ccccc1F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368332155 168344324 /nfs/dbraw/zinc/34/43/24/168344324.db2.gz MIFVBOOWDLKAKV-KRWDZBQOSA-N 2 0 333.495 3.236 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000372010317 282703990 /nfs/dbraw/zinc/70/39/90/282703990.db2.gz OIZRFFZFSKCAIK-GPANFISMSA-N 2 0 347.469 3.113 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000030907238 202200519 /nfs/dbraw/zinc/20/05/19/202200519.db2.gz SMOASFUUSSKSLE-MRXNPFEDSA-N 2 0 342.462 3.202 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC[N@@H+]1C ZINC000177917707 291145761 /nfs/dbraw/zinc/14/57/61/291145761.db2.gz SPJLEVANDMGAON-MAUKXSAKSA-N 2 0 336.907 3.461 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nc2ccccc2n1C ZINC000091311213 299289759 /nfs/dbraw/zinc/28/97/59/299289759.db2.gz VVPRFWDZPDGOTM-ZACQAIPSSA-N 2 0 344.503 3.113 20 0 EGADRP C[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000261601922 201194485 /nfs/dbraw/zinc/19/44/85/201194485.db2.gz BNUKIIKWAAQROG-LPHOPBHVSA-N 2 0 331.504 3.093 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000271791332 201246540 /nfs/dbraw/zinc/24/65/40/201246540.db2.gz GRRPYUGFLDINCQ-UHFFFAOYSA-N 2 0 329.669 3.454 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000237899322 242844131 /nfs/dbraw/zinc/84/41/31/242844131.db2.gz RYABBJNZSWFCNN-VQTJNVASSA-N 2 0 343.515 3.196 20 0 EGADRP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000071819571 203118122 /nfs/dbraw/zinc/11/81/22/203118122.db2.gz XARZWEGMOTVDRQ-ZDUSSCGKSA-N 2 0 330.863 3.304 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000262717692 245141530 /nfs/dbraw/zinc/14/15/30/245141530.db2.gz WQUQJPYUSPRHSO-FQEVSTJZSA-N 2 0 331.504 3.052 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000111386927 204355710 /nfs/dbraw/zinc/35/57/10/204355710.db2.gz HBLHUHRDHCNJPG-GOSISDBHSA-N 2 0 328.456 3.273 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000125306136 205004071 /nfs/dbraw/zinc/00/40/71/205004071.db2.gz DEJPYWCBIUCXEQ-OAHLLOKOSA-N 2 0 344.503 3.353 20 0 EGADRP Cc1cc2cc([C@@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)oc2cc1C ZINC000127398447 205100257 /nfs/dbraw/zinc/10/02/57/205100257.db2.gz PLTZRLRLUZZDPK-DLBZAZTESA-N 2 0 329.488 3.336 20 0 EGADRP Cc1n[nH]c(C)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000130906487 205264820 /nfs/dbraw/zinc/26/48/20/205264820.db2.gz VPAZFNYFLGIPFZ-UHFFFAOYSA-N 2 0 326.488 3.371 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000154084195 205906711 /nfs/dbraw/zinc/90/67/11/205906711.db2.gz OBGFAOAMRGHWIF-APWZRJJASA-N 2 0 345.487 3.174 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)CCSc3ccccc3)C2)CC1 ZINC000155683906 206027974 /nfs/dbraw/zinc/02/79/74/206027974.db2.gz YCPWHHAPVYXAEE-OALUTQOASA-N 2 0 347.572 3.269 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1)N1CC[NH+](C)CC1 ZINC000157015070 206111811 /nfs/dbraw/zinc/11/18/11/206111811.db2.gz SJZPKTXRLLICRD-IAGOWNOFSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157587885 206143557 /nfs/dbraw/zinc/14/35/57/206143557.db2.gz HYYRKSRJOFHNSS-QRWLVFNGSA-N 2 0 346.446 3.150 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCC1 ZINC000165269129 206514273 /nfs/dbraw/zinc/51/42/73/206514273.db2.gz XKQLXKXNSWSTQM-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000377648136 169054546 /nfs/dbraw/zinc/05/45/46/169054546.db2.gz OCIIEBVGKFISPS-RDJZCZTQSA-N 2 0 349.544 3.074 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)CC1 ZINC000378342300 169103691 /nfs/dbraw/zinc/10/36/91/169103691.db2.gz OAISSSRJPIDAMN-XLIONFOSSA-N 2 0 345.531 3.393 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000267401411 251024766 /nfs/dbraw/zinc/02/47/66/251024766.db2.gz ZWIVOBWWQUIAPP-GOSISDBHSA-N 2 0 343.515 3.384 20 0 EGADRP CN(c1ccccc1C[NH2+]C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000177584497 207358771 /nfs/dbraw/zinc/35/87/71/207358771.db2.gz XMYCPJOYGHMKKB-IBGZPJMESA-N 2 0 347.547 3.104 20 0 EGADRP COCc1ccc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC000268766444 252216305 /nfs/dbraw/zinc/21/63/05/252216305.db2.gz BYZURPYDXOTMHY-UHFFFAOYSA-N 2 0 332.444 3.046 20 0 EGADRP Cc1nc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000268776338 252227227 /nfs/dbraw/zinc/22/72/27/252227227.db2.gz ROBHCKCHCPWBLW-CQSZACIVSA-N 2 0 333.501 3.285 20 0 EGADRP CCn1cc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](CC)CC)cn1 ZINC000268802199 252254968 /nfs/dbraw/zinc/25/49/68/252254968.db2.gz ZCWZKUGYXYQAOY-KRWDZBQOSA-N 2 0 344.503 3.474 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268833913 252283039 /nfs/dbraw/zinc/28/30/39/252283039.db2.gz XNSZDALOPXTRCP-MRXNPFEDSA-N 2 0 328.456 3.226 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1)C(C)C ZINC000236992623 285097796 /nfs/dbraw/zinc/09/77/96/285097796.db2.gz OTUWDNZWNFTZNC-APWZRJJASA-N 2 0 331.504 3.259 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000151886025 285258402 /nfs/dbraw/zinc/25/84/02/285258402.db2.gz QBNFWGMCVSEMNY-INIZCTEOSA-N 2 0 343.298 3.275 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000269196475 255543244 /nfs/dbraw/zinc/54/32/44/255543244.db2.gz VQHHPDPWWLSZJX-APWZRJJASA-N 2 0 331.504 3.260 20 0 EGADRP CC(=O)Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246570842 141016302 /nfs/dbraw/zinc/01/63/02/141016302.db2.gz LJPLLMZCDFDARJ-PXNSSMCTSA-N 2 0 328.456 3.061 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853469 141038427 /nfs/dbraw/zinc/03/84/27/141038427.db2.gz BPLGYLIYPAFAPQ-LNLFQRSKSA-N 2 0 335.561 3.280 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000338100447 141094368 /nfs/dbraw/zinc/09/43/68/141094368.db2.gz NNWOXSGVTCHCJG-WOJBJXKFSA-N 2 0 343.515 3.275 20 0 EGADRP C[NH+](C)CCOCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000341258672 141146113 /nfs/dbraw/zinc/14/61/13/141146113.db2.gz MBTPZOSIDHCXRD-UHFFFAOYSA-N 2 0 339.892 3.131 20 0 EGADRP O[C@]1(CNCc2cccc(Cl)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC000344513252 141167449 /nfs/dbraw/zinc/16/74/49/141167449.db2.gz LFACJQFXNPQGNT-IBGZPJMESA-N 2 0 348.849 3.206 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+]4CCCCC4)C3)C2)cc1 ZINC000346479021 141203681 /nfs/dbraw/zinc/20/36/81/141203681.db2.gz FMJOXUINLXVNMR-QFIPXVFZSA-N 2 0 341.543 3.460 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000356301453 141339269 /nfs/dbraw/zinc/33/92/69/141339269.db2.gz QGJUPEJLBWFCFB-TZIWHRDSSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186486631 144135027 /nfs/dbraw/zinc/13/50/27/144135027.db2.gz DDTUFUQOYMAHEJ-JXFKEZNVSA-N 2 0 339.483 3.169 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000192193118 144172176 /nfs/dbraw/zinc/17/21/76/144172176.db2.gz SFLOTBAOVSIIKH-UHFFFAOYSA-N 2 0 343.496 3.279 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(F)cccc1Br ZINC000192686068 144177717 /nfs/dbraw/zinc/17/77/17/144177717.db2.gz UBZSHUUQDKQGMO-GFCCVEGCSA-N 2 0 347.272 3.035 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000344626904 144201927 /nfs/dbraw/zinc/20/19/27/144201927.db2.gz LOULHSFOQWMYJJ-AEFFLSMTSA-N 2 0 325.456 3.233 20 0 EGADRP CN(C[C@H](O)C[N@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522545 144273775 /nfs/dbraw/zinc/27/37/75/144273775.db2.gz LTPWYMPOKNICFL-FQEVSTJZSA-N 2 0 334.479 3.068 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847582 144315746 /nfs/dbraw/zinc/31/57/46/144315746.db2.gz ANJDENXNCQPZDI-ZVZYQTTQSA-N 2 0 349.494 3.088 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120843350 152303581 /nfs/dbraw/zinc/30/35/81/152303581.db2.gz YVFMWJKCYMSTBK-LSDHHAIUSA-N 2 0 338.565 3.109 20 0 EGADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000121354225 152346285 /nfs/dbraw/zinc/34/62/85/152346285.db2.gz BFFHTMYTSQIIGE-MSOLQXFVSA-N 2 0 333.520 3.010 20 0 EGADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000121354505 152346297 /nfs/dbraw/zinc/34/62/97/152346297.db2.gz BFFHTMYTSQIIGE-QZTJIDSGSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccc(CO)c1 ZINC000121667987 152364852 /nfs/dbraw/zinc/36/48/52/152364852.db2.gz RZBIVDBYVAIDKE-QGZVFWFLSA-N 2 0 342.483 3.360 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccc(CO)c1 ZINC000121667825 152364967 /nfs/dbraw/zinc/36/49/67/152364967.db2.gz RZBIVDBYVAIDKE-KRWDZBQOSA-N 2 0 342.483 3.360 20 0 EGADRP COc1ccc2cc([C@@H](C)[NH2+]CC3CC[NH+](CCO)CC3)ccc2c1 ZINC000174084536 152838147 /nfs/dbraw/zinc/83/81/47/152838147.db2.gz FKHWNRMIRFZTTF-MRXNPFEDSA-N 2 0 342.483 3.203 20 0 EGADRP CCS[C@@H]1CC[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191518466 153203875 /nfs/dbraw/zinc/20/38/75/153203875.db2.gz GHFFHFIPLASAME-ZWKOTPCHSA-N 2 0 327.582 3.009 20 0 EGADRP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000191579911 153207470 /nfs/dbraw/zinc/20/74/70/153207470.db2.gz KWRLNTFAACJLER-FUHWJXTLSA-N 2 0 330.520 3.280 20 0 EGADRP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000191581018 153207952 /nfs/dbraw/zinc/20/79/52/153207952.db2.gz WMMQUVWSUQGZEN-FQEVSTJZSA-N 2 0 330.516 3.285 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3ccsc3)CC2)CC1 ZINC000192805008 153262243 /nfs/dbraw/zinc/26/22/43/153262243.db2.gz UBGOCUUGRAOKMO-UHFFFAOYSA-N 2 0 335.561 3.344 20 0 EGADRP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC000192918756 153266167 /nfs/dbraw/zinc/26/61/67/153266167.db2.gz RWDMIHOTCAYCBQ-MQVJKMGUSA-N 2 0 339.524 3.285 20 0 EGADRP Cc1cccn2c(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000192929093 153268923 /nfs/dbraw/zinc/26/89/23/153268923.db2.gz QTTVHQZIVUTWBX-IBGZPJMESA-N 2 0 334.467 3.254 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193161386 153280364 /nfs/dbraw/zinc/28/03/64/153280364.db2.gz INMMFLMSMMORQH-XLIONFOSSA-N 2 0 344.499 3.030 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262318539 153810513 /nfs/dbraw/zinc/81/05/13/153810513.db2.gz DVQZIEDXEJLGAZ-WYEPVDKLSA-N 2 0 349.563 3.157 20 0 EGADRP Cc1cc([C@](C)(O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)o1 ZINC000305198038 154088566 /nfs/dbraw/zinc/08/85/66/154088566.db2.gz ZRPNAFYAXSHACD-HXUWFJFHSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@H]([NH2+]CCOCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309932310 154139120 /nfs/dbraw/zinc/13/91/20/154139120.db2.gz WSVLORTVMRWJER-HOCLYGCPSA-N 2 0 330.394 3.066 20 0 EGADRP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309932306 154139216 /nfs/dbraw/zinc/13/92/16/154139216.db2.gz WSVLORTVMRWJER-GDBMZVCRSA-N 2 0 330.394 3.066 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000338155658 154605739 /nfs/dbraw/zinc/60/57/39/154605739.db2.gz XKZMIUGQHPVSDG-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000349126089 156361162 /nfs/dbraw/zinc/36/11/62/156361162.db2.gz FUOZLWMCUPKIRZ-GOSISDBHSA-N 2 0 332.488 3.258 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(Cl)cc1F ZINC000368809096 157294476 /nfs/dbraw/zinc/29/44/76/157294476.db2.gz GGNXIQSBTPSQFD-HYVNUMGLSA-N 2 0 326.843 3.163 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000186581177 286809541 /nfs/dbraw/zinc/80/95/41/286809541.db2.gz YWLWXYAUGXEISF-KBPBESRZSA-N 2 0 327.875 3.156 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523435 161522932 /nfs/dbraw/zinc/52/29/32/161522932.db2.gz STXVMCOZODLEDH-OAHLLOKOSA-N 2 0 335.467 3.125 20 0 EGADRP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000112708716 162186043 /nfs/dbraw/zinc/18/60/43/162186043.db2.gz ITPPRKOIGRDQBP-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)CC(C)C ZINC000112914952 162197760 /nfs/dbraw/zinc/19/77/60/162197760.db2.gz AGFOBXFNEPPGBF-LJQANCHMSA-N 2 0 333.520 3.235 20 0 EGADRP CC[NH+]1CCC(N(C)Cc2cc(Br)c(OC)s2)CC1 ZINC000125219471 162267371 /nfs/dbraw/zinc/26/73/71/162267371.db2.gz PZHNAZWDQHYCNV-UHFFFAOYSA-N 2 0 347.322 3.435 20 0 EGADRP COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000126303797 162299373 /nfs/dbraw/zinc/29/93/73/162299373.db2.gz SARQGDYUXXEIML-MRXNPFEDSA-N 2 0 330.394 3.324 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000126456575 162304600 /nfs/dbraw/zinc/30/46/00/162304600.db2.gz UVVZMUNLVPBZJC-RXVVDRJESA-N 3 0 329.532 3.348 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000248462143 163008130 /nfs/dbraw/zinc/00/81/30/163008130.db2.gz XYYMWVKEFTZBSU-UNMCSNQZSA-N 2 0 336.479 3.420 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000248526604 163011705 /nfs/dbraw/zinc/01/17/05/163011705.db2.gz VBEDHZGYSUVCGF-RTWAWAEBSA-N 2 0 339.483 3.279 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000354379194 166013400 /nfs/dbraw/zinc/01/34/00/166013400.db2.gz DXXUIAMHOVVOBT-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(C)c1 ZINC000343935741 164069822 /nfs/dbraw/zinc/06/98/22/164069822.db2.gz ORLUJSWHXXBSLB-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)s1 ZINC000343950290 164072122 /nfs/dbraw/zinc/07/21/22/164072122.db2.gz ZHOAXRDTCZYVCN-ZDUSSCGKSA-N 2 0 348.516 3.200 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H]2CCO[C@H](C)C2)CC1 ZINC000344263076 164140867 /nfs/dbraw/zinc/14/08/67/164140867.db2.gz HXDLSNNJCMPVLD-MOPGFXCFSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccncc1 ZINC000156613273 287050535 /nfs/dbraw/zinc/05/05/35/287050535.db2.gz RLDNBVJENWEOKK-CVEARBPZSA-N 2 0 342.462 3.384 20 0 EGADRP C[NH+](C)Cc1cc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)ccc1F ZINC000346400263 164380718 /nfs/dbraw/zinc/38/07/18/164380718.db2.gz ZGEURBMTQROYMH-UHFFFAOYSA-N 2 0 344.434 3.279 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000350200896 165018572 /nfs/dbraw/zinc/01/85/72/165018572.db2.gz CPJBBVYWVOYLIL-SFHVURJKSA-N 2 0 343.471 3.274 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000350259431 165022896 /nfs/dbraw/zinc/02/28/96/165022896.db2.gz VOIUVLOIMRHHDD-HOCLYGCPSA-N 2 0 326.431 3.459 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000352135002 165251590 /nfs/dbraw/zinc/25/15/90/165251590.db2.gz MQEYVEHEHSRSAF-FQEVSTJZSA-N 2 0 345.531 3.455 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC[NH+](C)CC1 ZINC000353192552 165667091 /nfs/dbraw/zinc/66/70/91/165667091.db2.gz MHQXSKPNAOJGPF-PKOBYXMFSA-N 2 0 347.572 3.239 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000353515168 165789400 /nfs/dbraw/zinc/78/94/00/165789400.db2.gz HINJUZJMZMZZDE-NRFANRHFSA-N 2 0 339.483 3.305 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccsc1 ZINC000355410746 166188956 /nfs/dbraw/zinc/18/89/56/166188956.db2.gz RLPLAZUQZIJEKB-UXLLHSPISA-N 2 0 337.533 3.120 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000355781250 166307513 /nfs/dbraw/zinc/30/75/13/166307513.db2.gz WGABGNRSOBWTHQ-IEBWSBKVSA-N 2 0 332.488 3.066 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCC(C)CC2)[C@@H](C)C1 ZINC000359024420 167041990 /nfs/dbraw/zinc/04/19/90/167041990.db2.gz DPRVBSFKAYVSAL-FUFFSDJGSA-N 2 0 340.552 3.308 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1)CC1CC1 ZINC000359264424 167110302 /nfs/dbraw/zinc/11/03/02/167110302.db2.gz PCLYJECDMNHOEZ-UHFFFAOYSA-N 2 0 347.503 3.135 20 0 EGADRP [NH3+]CCCN(Cc1cnc([C@H]2CCCO2)s1)Cc1ccccc1 ZINC000359458165 167161751 /nfs/dbraw/zinc/16/17/51/167161751.db2.gz PIXROSJICPQTEI-QGZVFWFLSA-N 2 0 331.485 3.346 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000359872837 167254465 /nfs/dbraw/zinc/25/44/65/167254465.db2.gz HJOQYPQAOFBKQC-IBGZPJMESA-N 2 0 332.488 3.001 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000359887247 167258241 /nfs/dbraw/zinc/25/82/41/167258241.db2.gz UYTLFZKLWLFLRZ-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000248617991 287273800 /nfs/dbraw/zinc/27/38/00/287273800.db2.gz BCBISTKOWPENSQ-RTBURBONSA-N 2 0 349.563 3.399 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173341084 264975300 /nfs/dbraw/zinc/97/53/00/264975300.db2.gz ZNCPKZMDSHMZEB-IAGOWNOFSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(Cl)ccc2F)C[C@@H](C)O1 ZINC000179008844 265356014 /nfs/dbraw/zinc/35/60/14/265356014.db2.gz OPCDUWPLFIAEIK-ZIAGYGMSSA-N 2 0 328.859 3.458 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000182691469 265429056 /nfs/dbraw/zinc/42/90/56/265429056.db2.gz ARJMNDBXOLDQCA-QGZVFWFLSA-N 2 0 339.524 3.242 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000193116254 266011491 /nfs/dbraw/zinc/01/14/91/266011491.db2.gz BNGOXONYABGARD-IBGZPJMESA-N 2 0 326.525 3.364 20 0 EGADRP CC(C)[NH2+]C1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195166223 266164304 /nfs/dbraw/zinc/16/43/04/266164304.db2.gz FUUZPJANZLZOAO-IBGZPJMESA-N 2 0 339.524 3.096 20 0 EGADRP C[N@H+](CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000237066824 266223969 /nfs/dbraw/zinc/22/39/69/266223969.db2.gz GEHDJWJEBQVBLC-HXUWFJFHSA-N 2 0 339.483 3.105 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2)C1 ZINC000237675479 266241343 /nfs/dbraw/zinc/24/13/43/266241343.db2.gz ZENCNMVIAXRTAE-INIZCTEOSA-N 2 0 329.488 3.376 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237894820 266249053 /nfs/dbraw/zinc/24/90/53/266249053.db2.gz BWGCFCFGGSBWPP-AQNXPRMDSA-N 2 0 343.515 3.237 20 0 EGADRP C[C@H](CCc1ccccc1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000250278629 266262690 /nfs/dbraw/zinc/26/26/90/266262690.db2.gz AMKATZZEMWGNJV-NJDAHSKKSA-N 2 0 343.559 3.498 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C3CC[NH+](C)CC3)c2)CC1 ZINC000271238854 266627108 /nfs/dbraw/zinc/62/71/08/266627108.db2.gz FGSQGMNKBGGIHO-UHFFFAOYSA-N 2 0 343.515 3.241 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000274405553 267231292 /nfs/dbraw/zinc/23/12/92/267231292.db2.gz BWKLQLXKOJXPAT-CYBMUJFWSA-N 2 0 330.303 3.109 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000274559212 267254268 /nfs/dbraw/zinc/25/42/68/267254268.db2.gz YYSUEUVHRAHLQR-HNNXBMFYSA-N 2 0 343.471 3.097 20 0 EGADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000274599354 267260166 /nfs/dbraw/zinc/26/01/66/267260166.db2.gz HHQLGMQGLVJYIR-OXQOHEQNSA-N 2 0 339.483 3.169 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274726677 267277464 /nfs/dbraw/zinc/27/74/64/267277464.db2.gz ARZQADIGNORHDD-ZXNZYJFHSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911405 267305921 /nfs/dbraw/zinc/30/59/21/267305921.db2.gz NGSUACUAZUATAC-OYNPSCLESA-N 2 0 329.532 3.359 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274919812 267306804 /nfs/dbraw/zinc/30/68/04/267306804.db2.gz LCZGOXBSLBJECS-LMMKCTJWSA-N 2 0 345.531 3.180 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000276290294 267511272 /nfs/dbraw/zinc/51/12/72/267511272.db2.gz CTQYROQLTQNWMN-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000277010810 267675673 /nfs/dbraw/zinc/67/56/73/267675673.db2.gz BWPVDDCLBGRVMJ-HXUWFJFHSA-N 2 0 342.458 3.156 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360837439 273662998 /nfs/dbraw/zinc/66/29/98/273662998.db2.gz PXLUEHGWJRPHRG-FQEVSTJZSA-N 2 0 329.532 3.416 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000181418324 275058491 /nfs/dbraw/zinc/05/84/91/275058491.db2.gz ILPCMPRCHHQWNY-UFYCRDLUSA-N 2 0 332.463 3.171 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000193028209 275058583 /nfs/dbraw/zinc/05/85/83/275058583.db2.gz RKENWJBASJOQPS-NJYVYQBISA-N 2 0 343.515 3.291 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCc1cccc(Cl)c1Cl ZINC000279783208 275359098 /nfs/dbraw/zinc/35/90/98/275359098.db2.gz UPFHEVGWQXLLQP-UHFFFAOYSA-N 2 0 344.330 3.105 20 0 EGADRP C[C@H](C[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000280802101 275497011 /nfs/dbraw/zinc/49/70/11/275497011.db2.gz HLCJLURVILMJTO-BRWVUGGUSA-N 2 0 337.939 3.305 20 0 EGADRP Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000282363833 275625999 /nfs/dbraw/zinc/62/59/99/275625999.db2.gz XOZPDDCIZDBYPG-QGZVFWFLSA-N 2 0 325.456 3.092 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000284368538 275795237 /nfs/dbraw/zinc/79/52/37/275795237.db2.gz ODXBTFQUPBQDTH-XMSQKQJNSA-N 2 0 342.527 3.407 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353204075 276051220 /nfs/dbraw/zinc/05/12/20/276051220.db2.gz LZJKURVXMMGFPT-SFTDATJTSA-N 2 0 343.515 3.019 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000286871790 276052400 /nfs/dbraw/zinc/05/24/00/276052400.db2.gz HMUWPWVRGAFPDS-SJORKVTESA-N 2 0 342.405 3.351 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000286954844 276062385 /nfs/dbraw/zinc/06/23/85/276062385.db2.gz HPINYDPGHUAFBX-LPHOPBHVSA-N 2 0 346.519 3.109 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000287227295 276098615 /nfs/dbraw/zinc/09/86/15/276098615.db2.gz XXWFBTLMKWNUIE-GPMSIDNRSA-N 2 0 346.519 3.108 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000287870515 276165454 /nfs/dbraw/zinc/16/54/54/276165454.db2.gz XXJBDMKVIRCFHZ-IRXDYDNUSA-N 2 0 342.405 3.482 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc21 ZINC000289185109 276301570 /nfs/dbraw/zinc/30/15/70/276301570.db2.gz INJMALMQGIYUFQ-JXFKEZNVSA-N 2 0 336.483 3.172 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)c1 ZINC000289219930 276306224 /nfs/dbraw/zinc/30/62/24/276306224.db2.gz JHCSNRDFJHREDR-CQSZACIVSA-N 2 0 333.501 3.328 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000289333095 276323384 /nfs/dbraw/zinc/32/33/84/276323384.db2.gz VWWXZUDTGAAHLH-OXQOHEQNSA-N 2 0 340.515 3.079 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000344410829 276353510 /nfs/dbraw/zinc/35/35/10/276353510.db2.gz BYHFETCCWMKGGR-IAGOWNOFSA-N 2 0 343.515 3.226 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000361894131 277032495 /nfs/dbraw/zinc/03/24/95/277032495.db2.gz UFUMXPSKTODGEA-AWEZNQCLSA-N 2 0 329.271 3.027 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123183512 277051809 /nfs/dbraw/zinc/05/18/09/277051809.db2.gz GGRNJTSLFORRDA-UXHICEINSA-N 2 0 329.532 3.186 20 0 EGADRP COC[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000364118740 277247182 /nfs/dbraw/zinc/24/71/82/277247182.db2.gz HABBSIFPIPEYSG-HXUWFJFHSA-N 2 0 338.536 3.062 20 0 EGADRP COc1ccccc1C[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246888516 278050525 /nfs/dbraw/zinc/05/05/25/278050525.db2.gz DNYAXPBYUZKVRQ-KURKYZTESA-N 2 0 334.504 3.105 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)c2ccccc2C1 ZINC000361069872 278052387 /nfs/dbraw/zinc/05/23/87/278052387.db2.gz URVQTWCDSLTXOS-OAQYLSRUSA-N 2 0 343.515 3.190 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000362872358 279136653 /nfs/dbraw/zinc/13/66/53/279136653.db2.gz BCCFNRSXBOKVTQ-LJQANCHMSA-N 2 0 343.515 3.275 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1 ZINC000266320743 279136695 /nfs/dbraw/zinc/13/66/95/279136695.db2.gz QWEMWXWECZAEPM-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000262148054 279147141 /nfs/dbraw/zinc/14/71/41/279147141.db2.gz FQKVPETYXSZBJT-PMACEKPBSA-N 2 0 339.483 3.194 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1)C1CC1 ZINC000120459280 279234736 /nfs/dbraw/zinc/23/47/36/279234736.db2.gz LIPVNLLMSVHHDU-JXFKEZNVSA-N 2 0 343.515 3.083 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)CN1CC[NH+](C)CC1 ZINC000248635768 279354543 /nfs/dbraw/zinc/35/45/43/279354543.db2.gz KGNPBEYNOTZHDH-HOJAQTOUSA-N 2 0 329.532 3.042 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000346614374 279374786 /nfs/dbraw/zinc/37/47/86/279374786.db2.gz VBMHOTCBMHIATB-YRNRMSPPSA-N 2 0 349.494 3.186 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC3(CCOCC3)CC2)C[C@@H](C)O1 ZINC000358049939 288159488 /nfs/dbraw/zinc/15/94/88/288159488.db2.gz SIHKLCCGCHDZAD-QZTJIDSGSA-N 2 0 338.536 3.205 20 0 EGADRP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000171840725 280111118 /nfs/dbraw/zinc/11/11/18/280111118.db2.gz HCXXZSLEQWWRRP-MSOLQXFVSA-N 2 0 345.531 3.455 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000354592676 280174232 /nfs/dbraw/zinc/17/42/32/280174232.db2.gz BRZHFWIRQDSCRA-RTBURBONSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)ccc1F ZINC000128306624 280186685 /nfs/dbraw/zinc/18/66/85/280186685.db2.gz QIRDFRLUQDQDRH-GOSISDBHSA-N 2 0 325.447 3.033 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000236676721 282070944 /nfs/dbraw/zinc/07/09/44/282070944.db2.gz KXQIAWRMMPWUMJ-HOCLYGCPSA-N 2 0 337.533 3.012 20 0 EGADRP C[C@@]1(O)CCC[NH+](CCCCCC[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000376437168 289208514 /nfs/dbraw/zinc/20/85/14/289208514.db2.gz ZBMXJBRLHQGGDJ-WOJBJXKFSA-N 2 0 340.552 3.021 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000339362464 290387369 /nfs/dbraw/zinc/38/73/69/290387369.db2.gz LYEGTBMZQWQJRL-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342751349 290393024 /nfs/dbraw/zinc/39/30/24/290393024.db2.gz ODFUNHIUUQRTKT-ABSDTBQOSA-N 2 0 343.515 3.065 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000261746914 295271959 /nfs/dbraw/zinc/27/19/59/295271959.db2.gz MJEUOPULAFGCJM-WOJBJXKFSA-N 2 0 343.515 3.054 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000051688311 307331349 /nfs/dbraw/zinc/33/13/49/307331349.db2.gz HIXNUJLOHPWZAF-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000075771701 307401818 /nfs/dbraw/zinc/40/18/18/307401818.db2.gz QHQZKYNLAQOKOJ-UHFFFAOYSA-N 2 0 345.462 3.201 20 0 EGADRP c1ccc(CSCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000090517780 307460173 /nfs/dbraw/zinc/46/01/73/307460173.db2.gz QGIOZVAWFCMQSB-UHFFFAOYSA-N 2 0 348.556 3.354 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000092587524 307465980 /nfs/dbraw/zinc/46/59/80/307465980.db2.gz XBKHQLLFDGPCCG-GJZGRUSLSA-N 2 0 349.544 3.342 20 0 EGADRP CC(C)OC(=O)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000135001007 307696919 /nfs/dbraw/zinc/69/69/19/307696919.db2.gz ZSDMHRPEAKTZRZ-UHFFFAOYSA-N 2 0 332.488 3.416 20 0 EGADRP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000414193309 309066137 /nfs/dbraw/zinc/06/61/37/309066137.db2.gz TVEJSMVKTOWETC-CZUORRHYSA-N 2 0 328.859 3.488 20 0 EGADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156767813 307837994 /nfs/dbraw/zinc/83/79/94/307837994.db2.gz RAPIPOQXNAGJIB-OFLPRAFFSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@H](C)O1 ZINC000414271691 309069928 /nfs/dbraw/zinc/06/99/28/309069928.db2.gz XEFJCGYZJRTYFB-ZPJXIJEESA-N 2 0 328.500 3.300 20 0 EGADRP Cc1occc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000414274030 309070099 /nfs/dbraw/zinc/07/00/99/309070099.db2.gz PBXUVIAARJATMP-HXUWFJFHSA-N 2 0 327.472 3.056 20 0 EGADRP OC1(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414304514 309071779 /nfs/dbraw/zinc/07/17/79/309071779.db2.gz MOAKPRXJCSYHIM-UXHICEINSA-N 2 0 328.500 3.182 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547228 308005261 /nfs/dbraw/zinc/00/52/61/308005261.db2.gz GAYHQLPOQVPIQG-YYWHXJBOSA-N 3 0 329.532 3.217 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000248617175 308007419 /nfs/dbraw/zinc/00/74/19/308007419.db2.gz ZHHQAYOZWUKUJY-YADHBBJMSA-N 2 0 344.543 3.424 20 0 EGADRP CC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000248713289 308009925 /nfs/dbraw/zinc/00/99/25/308009925.db2.gz JWRFCNCMWHCHHM-HFSMHLIXSA-N 2 0 343.515 3.030 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000249117351 308019322 /nfs/dbraw/zinc/01/93/22/308019322.db2.gz OIBNLZUKTHQWRH-HKBOAZHASA-N 2 0 330.516 3.224 20 0 EGADRP Cc1occc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000414419065 309079067 /nfs/dbraw/zinc/07/90/67/309079067.db2.gz ZLCIBQJFSKDINE-UHFFFAOYSA-N 2 0 333.520 3.216 20 0 EGADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000294992995 308279450 /nfs/dbraw/zinc/27/94/50/308279450.db2.gz QOZGVPRDASIPGH-HMXCVIKNSA-N 2 0 328.500 3.193 20 0 EGADRP Nc1ncccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000295187668 308300780 /nfs/dbraw/zinc/30/07/80/308300780.db2.gz KGNRYZPZSCNABI-UHFFFAOYSA-N 2 0 336.483 3.152 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1cscn1 ZINC000295690364 308351033 /nfs/dbraw/zinc/35/10/33/308351033.db2.gz IENGKUIDSKDWIA-MNZLEMJZSA-N 2 0 329.513 3.432 20 0 EGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414656812 309094065 /nfs/dbraw/zinc/09/40/65/309094065.db2.gz GEUWWBKACLSKRG-HZPDHXFCSA-N 2 0 339.487 3.229 20 0 EGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)C1 ZINC000414716145 309097059 /nfs/dbraw/zinc/09/70/59/309097059.db2.gz ZJTNLISIPDONDF-RTBURBONSA-N 2 0 335.536 3.009 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)c1ccsc1 ZINC000296543476 308439054 /nfs/dbraw/zinc/43/90/54/308439054.db2.gz UABABDLAGSEQGL-QZTJIDSGSA-N 2 0 345.512 3.256 20 0 EGADRP CCCCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000414663166 309094312 /nfs/dbraw/zinc/09/43/12/309094312.db2.gz AXIFJHMOFCZWLX-OKZBNKHCSA-N 2 0 332.488 3.433 20 0 EGADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1OC(F)F ZINC000414670020 309094705 /nfs/dbraw/zinc/09/47/05/309094705.db2.gz CMQFRSZFAIGVPM-OCCSQVGLSA-N 2 0 328.403 3.117 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414668704 309094713 /nfs/dbraw/zinc/09/47/13/309094713.db2.gz AQKHJBYWLGUZBY-RYUDHWBXSA-N 2 0 344.286 3.252 20 0 EGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000297539773 308543459 /nfs/dbraw/zinc/54/34/59/308543459.db2.gz OPPRKJFTLKITHI-UHFFFAOYSA-N 2 0 344.459 3.260 20 0 EGADRP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772236 309099929 /nfs/dbraw/zinc/09/99/29/309099929.db2.gz BMBPRWKBDIEHEN-HZPDHXFCSA-N 2 0 328.485 3.027 20 0 EGADRP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Cl)c1OC ZINC000414773744 309100138 /nfs/dbraw/zinc/10/01/38/309100138.db2.gz XQSRDNIYAYMLQV-GASCZTMLSA-N 2 0 338.879 3.179 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1C(F)(F)F ZINC000414782793 309100793 /nfs/dbraw/zinc/10/07/93/309100793.db2.gz OWGMHFMHWXKAPU-HNNXBMFYSA-N 2 0 342.405 3.201 20 0 EGADRP FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783191 309100867 /nfs/dbraw/zinc/10/08/67/309100867.db2.gz PNUSGQNTZLNWJC-KGLIPLIRSA-N 2 0 328.378 3.407 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414787725 309101131 /nfs/dbraw/zinc/10/11/31/309101131.db2.gz VXLDJJKJICNICF-HUUCEWRRSA-N 2 0 340.414 3.118 20 0 EGADRP Brc1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414785266 309101161 /nfs/dbraw/zinc/10/11/61/309101161.db2.gz SGBLJZGYPKACRI-VXGBXAGGSA-N 2 0 329.307 3.332 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788931 309101257 /nfs/dbraw/zinc/10/12/57/309101257.db2.gz XNGQDJROQQWDRW-MOPGFXCFSA-N 2 0 338.499 3.311 20 0 EGADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414788281 309101356 /nfs/dbraw/zinc/10/13/56/309101356.db2.gz WNYQCLLYSRTDMZ-KGLIPLIRSA-N 2 0 340.414 3.118 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414802393 309102463 /nfs/dbraw/zinc/10/24/63/309102463.db2.gz MUMBTZDNSHJARQ-ZIAGYGMSSA-N 2 0 328.403 3.294 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414806486 309102544 /nfs/dbraw/zinc/10/25/44/309102544.db2.gz QLDQWFZBXZXNEW-LZWOXQAQSA-N 2 0 337.895 3.473 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000414807792 309102809 /nfs/dbraw/zinc/10/28/09/309102809.db2.gz RNTJJGZUBKQDGC-SQWLQELKSA-N 2 0 337.895 3.473 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(Cl)c1 ZINC000414807782 309102818 /nfs/dbraw/zinc/10/28/18/309102818.db2.gz RNTJJGZUBKQDGC-DZKIICNBSA-N 2 0 337.895 3.473 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414813429 309103228 /nfs/dbraw/zinc/10/32/28/309103228.db2.gz YIOKVNVODHYHAA-QUCCMNQESA-N 2 0 325.456 3.268 20 0 EGADRP COc1cc[nH+]c(N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1 ZINC000301166654 308690377 /nfs/dbraw/zinc/69/03/77/308690377.db2.gz CZGCOHDLQOHIAZ-UHFFFAOYSA-N 2 0 334.423 3.273 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414846391 309105108 /nfs/dbraw/zinc/10/51/08/309105108.db2.gz FEKHWJKRLZBXRI-SOUVJXGZSA-N 2 0 337.895 3.343 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414846328 309105180 /nfs/dbraw/zinc/10/51/80/309105180.db2.gz GVOXWISDTZUUGJ-ZDUSSCGKSA-N 2 0 326.868 3.227 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000414932371 309110060 /nfs/dbraw/zinc/11/00/60/309110060.db2.gz VOZBIQWHPBFTJC-WDEREUQCSA-N 2 0 349.219 3.410 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000360001764 308894393 /nfs/dbraw/zinc/89/43/93/308894393.db2.gz WVNQSRBTWQUBHN-UHFFFAOYSA-N 2 0 334.414 3.176 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400376555 308907364 /nfs/dbraw/zinc/90/73/64/308907364.db2.gz VQOXOOKSBZUZBK-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000413168300 309019402 /nfs/dbraw/zinc/01/94/02/309019402.db2.gz LAVBPYQMXUZOQY-HNNXBMFYSA-N 2 0 343.471 3.420 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414849713 309105558 /nfs/dbraw/zinc/10/55/58/309105558.db2.gz YFNWWNBZRAULIH-ZFWWWQNUSA-N 2 0 325.294 3.359 20 0 EGADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414883875 309107164 /nfs/dbraw/zinc/10/71/64/309107164.db2.gz DTTQNRHDZFRVMR-HZPDHXFCSA-N 2 0 325.294 3.487 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](C)CC[NH3+])cc2)c1 ZINC000414897237 309108048 /nfs/dbraw/zinc/10/80/48/309108048.db2.gz QUPBBGMCZHKQOY-CQSZACIVSA-N 2 0 330.428 3.323 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414899672 309108258 /nfs/dbraw/zinc/10/82/58/309108258.db2.gz CQNBGZPIMDNBKT-MLGOLLRUSA-N 2 0 343.284 3.499 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414948898 309110925 /nfs/dbraw/zinc/11/09/25/309110925.db2.gz MTHZEGSNDYSUCK-FRRDWIJNSA-N 2 0 343.393 3.153 20 0 EGADRP [NH3+]C1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000414972816 309112315 /nfs/dbraw/zinc/11/23/15/309112315.db2.gz YMRUJGXQDVHEDZ-UHFFFAOYSA-N 2 0 344.503 3.106 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414992568 309113118 /nfs/dbraw/zinc/11/31/18/309113118.db2.gz KRPGHKIGURNAJX-WOJBJXKFSA-N 2 0 340.515 3.464 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000414993644 309113178 /nfs/dbraw/zinc/11/31/78/309113178.db2.gz LPCRZRIWYLSJEE-JSGCOSHPSA-N 2 0 328.403 3.294 20 0 EGADRP Fc1ccc(Br)c(F)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013321 309114277 /nfs/dbraw/zinc/11/42/77/309114277.db2.gz URYAKPQIYCQGDU-IINYFYTJSA-N 2 0 345.231 3.205 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000415015217 309114376 /nfs/dbraw/zinc/11/43/76/309114376.db2.gz NSJVMMDFLWKFEQ-CABCVRRESA-N 2 0 339.911 3.184 20 0 EGADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415029443 309115283 /nfs/dbraw/zinc/11/52/83/309115283.db2.gz BBXOYRVVNIGSHT-HSALFYBXSA-N 2 0 332.488 3.078 20 0 EGADRP Fc1ccc(CN2CCC[C@@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000415075448 309118425 /nfs/dbraw/zinc/11/84/25/309118425.db2.gz BJVYOFNEVLMNGY-WMLDXEAASA-N 2 0 339.886 3.033 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415077071 309118687 /nfs/dbraw/zinc/11/86/87/309118687.db2.gz DQLDZTWKPRSXER-HOTGVXAUSA-N 2 0 341.455 3.360 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415081101 309118903 /nfs/dbraw/zinc/11/89/03/309118903.db2.gz KAFVMBIQVNPGEC-UYAOXDASSA-N 2 0 340.515 3.374 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415083000 309118956 /nfs/dbraw/zinc/11/89/56/309118956.db2.gz MPBRZSKKLHSYLF-YPMHNXCESA-N 2 0 329.257 3.108 20 0 EGADRP COc1ccc([C@H](C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)N2CCCCC2)cc1 ZINC000415088910 309119475 /nfs/dbraw/zinc/11/94/75/309119475.db2.gz VWRDOYICVYDFMM-OPYAIIAOSA-N 2 0 345.531 3.200 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415104160 309120581 /nfs/dbraw/zinc/12/05/81/309120581.db2.gz GRHKQVWYYVQEIL-NHCUHLMSSA-N 2 0 346.515 3.440 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415104164 309120632 /nfs/dbraw/zinc/12/06/32/309120632.db2.gz GRHKQVWYYVQEIL-SFTDATJTSA-N 2 0 346.515 3.440 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000415106029 309120707 /nfs/dbraw/zinc/12/07/07/309120707.db2.gz JBWIEKCSLXPBBN-MOPGFXCFSA-N 2 0 334.529 3.138 20 0 EGADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC[NH2+]1 ZINC000415115788 309121215 /nfs/dbraw/zinc/12/12/15/309121215.db2.gz USZVWOWEGOYNLF-GJZGRUSLSA-N 2 0 329.419 3.491 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000415128323 309122314 /nfs/dbraw/zinc/12/23/14/309122314.db2.gz SFRZRCWHRJWSHB-IAGOWNOFSA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C1 ZINC000415128596 309122363 /nfs/dbraw/zinc/12/23/63/309122363.db2.gz SLZQJUHTYBEFCO-RDJZCZTQSA-N 2 0 326.843 3.197 20 0 EGADRP CC(C)(C)c1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415134128 309122883 /nfs/dbraw/zinc/12/28/83/309122883.db2.gz NUPNIFHCFFRNCC-MOPGFXCFSA-N 2 0 328.500 3.185 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)c1 ZINC000415909355 309147738 /nfs/dbraw/zinc/14/77/38/309147738.db2.gz SUVDYELMLDUSMZ-GOSISDBHSA-N 2 0 332.492 3.182 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000415919106 309148629 /nfs/dbraw/zinc/14/86/29/309148629.db2.gz MNJDEVOCSOXVAP-UHFFFAOYSA-N 2 0 332.492 3.040 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000415927623 309149086 /nfs/dbraw/zinc/14/90/86/309149086.db2.gz DOPSPCRZVANPBJ-UHFFFAOYSA-N 2 0 332.492 3.184 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000415925803 309149154 /nfs/dbraw/zinc/14/91/54/309149154.db2.gz UIESIJDORXYORG-KXBFYZLASA-N 2 0 340.471 3.219 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000415934254 309149717 /nfs/dbraw/zinc/14/97/17/309149717.db2.gz RDXVVCNIMSLQTG-MRXNPFEDSA-N 2 0 332.492 3.182 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000415932527 309149736 /nfs/dbraw/zinc/14/97/36/309149736.db2.gz OFTLPTUIXRYARW-UHFFFAOYSA-N 2 0 332.492 3.040 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000415981837 309152613 /nfs/dbraw/zinc/15/26/13/309152613.db2.gz WMJWWSMODYIRFM-LJQANCHMSA-N 2 0 344.503 3.312 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)CC(C)C ZINC000415992555 309153537 /nfs/dbraw/zinc/15/35/37/309153537.db2.gz QYWJQQHVRNFOLE-SFHVURJKSA-N 2 0 334.508 3.284 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000416165821 309161795 /nfs/dbraw/zinc/16/17/95/309161795.db2.gz IEXHKZVJAVEWDG-WOJBJXKFSA-N 2 0 343.515 3.156 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000417353283 309202770 /nfs/dbraw/zinc/20/27/70/309202770.db2.gz ILHZQKHVKFATGE-ZCNNSNEGSA-N 2 0 327.516 3.113 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n(C)n1 ZINC000417884981 309226804 /nfs/dbraw/zinc/22/68/04/309226804.db2.gz XHBIWVACHHFUJO-IAGOWNOFSA-N 2 0 340.515 3.496 20 0 EGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000418649672 309252273 /nfs/dbraw/zinc/25/22/73/309252273.db2.gz JKZBLXUWDVBRIX-LJQANCHMSA-N 2 0 348.535 3.009 20 0 EGADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420266956 309278681 /nfs/dbraw/zinc/27/86/81/309278681.db2.gz WKJSESOIWBSYNX-QWHCGFSZSA-N 2 0 333.382 3.190 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298918 309280127 /nfs/dbraw/zinc/28/01/27/309280127.db2.gz AGCBTSYDCXBHCT-JCGIZDLHSA-N 2 0 342.874 3.275 20 0 EGADRP Clc1ccc(O[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420303415 309280511 /nfs/dbraw/zinc/28/05/11/309280511.db2.gz NIGNKRCJYCONQD-GXTWGEPZSA-N 2 0 329.271 3.446 20 0 EGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420301303 309280515 /nfs/dbraw/zinc/28/05/15/309280515.db2.gz AMULHAXNYDPIEO-QHAWAJNXSA-N 3 0 329.532 3.048 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000420307378 309280774 /nfs/dbraw/zinc/28/07/74/309280774.db2.gz IITXYAAMYXUUQL-LBPRGKRZSA-N 2 0 345.256 3.028 20 0 EGADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420317966 309281861 /nfs/dbraw/zinc/28/18/61/309281861.db2.gz NMDNEFMBNCNCBX-JKSUJKDBSA-N 2 0 337.458 3.033 20 0 EGADRP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420325165 309282296 /nfs/dbraw/zinc/28/22/96/309282296.db2.gz CPWLTLQQAPDMIZ-JECHBYEQSA-N 2 0 326.843 3.368 20 0 EGADRP Fc1ccc(C[N@@H+](CCc2ccccn2)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420327251 309282428 /nfs/dbraw/zinc/28/24/28/309282428.db2.gz YJFBOFUAZHZJEU-QGZVFWFLSA-N 2 0 327.447 3.265 20 0 EGADRP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331548 309282576 /nfs/dbraw/zinc/28/25/76/309282576.db2.gz CCXAPECNFDPEAZ-MOPGFXCFSA-N 2 0 343.515 3.071 20 0 EGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339454 309283158 /nfs/dbraw/zinc/28/31/58/309283158.db2.gz YZNSPUWZGGBLEZ-CJNGLKHVSA-N 2 0 342.405 3.454 20 0 EGADRP FC(F)Oc1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364559 309284242 /nfs/dbraw/zinc/28/42/42/309284242.db2.gz RERPUTPVWVFDPP-WMLDXEAASA-N 2 0 340.414 3.051 20 0 EGADRP CC(C)(C)[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420363542 309284282 /nfs/dbraw/zinc/28/42/82/309284282.db2.gz BMPYAILGVMHTJB-SLFFLAALSA-N 2 0 326.484 3.294 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000420374187 309285084 /nfs/dbraw/zinc/28/50/84/309285084.db2.gz NSBPMTZGEQPWKC-KBXCAEBGSA-N 2 0 341.455 3.047 20 0 EGADRP FC(F)(F)c1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420378832 309285394 /nfs/dbraw/zinc/28/53/94/309285394.db2.gz UQQZAAZXUWAMJE-WMLDXEAASA-N 2 0 342.405 3.468 20 0 EGADRP CC(C)(C)[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1 ZINC000420382127 309285436 /nfs/dbraw/zinc/28/54/36/309285436.db2.gz YIALYHFVOIBXOL-UFYCRDLUSA-N 2 0 344.474 3.433 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420387280 309285804 /nfs/dbraw/zinc/28/58/04/309285804.db2.gz VSIRPTFOXGRHKL-DNVCBOLYSA-N 2 0 327.476 3.258 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCc3c(F)cccc3Cl)CC2)C1 ZINC000420389620 309285931 /nfs/dbraw/zinc/28/59/31/309285931.db2.gz MHBRUJQAUNJPCX-KSSFIOAISA-N 2 0 340.870 3.240 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3oc(C(C)C)nc3C)CC2)CC1 ZINC000420983341 309305578 /nfs/dbraw/zinc/30/55/78/309305578.db2.gz QPIVITCAPGQVQT-UHFFFAOYSA-N 2 0 348.535 3.098 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000421821249 309341458 /nfs/dbraw/zinc/34/14/58/309341458.db2.gz QJLQBYHQVTZLAT-CQSZACIVSA-N 2 0 341.902 3.026 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000421827145 309341768 /nfs/dbraw/zinc/34/17/68/309341768.db2.gz WNDQMCGDMZUHCY-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccn2)cc1 ZINC000422706459 309364108 /nfs/dbraw/zinc/36/41/08/309364108.db2.gz FDSDLWIDDDPNQE-HUUCEWRRSA-N 2 0 329.444 3.488 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422715353 309364609 /nfs/dbraw/zinc/36/46/09/309364609.db2.gz JDZOECJSSVWPRO-QHAWAJNXSA-N 2 0 345.506 3.300 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422718922 309364770 /nfs/dbraw/zinc/36/47/70/309364770.db2.gz YBNSINRCRNHQNB-QGZVFWFLSA-N 2 0 346.515 3.184 20 0 EGADRP CCc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422727922 309365319 /nfs/dbraw/zinc/36/53/19/309365319.db2.gz DTUXKKXYQNJZKB-WTNAPCKOSA-N 2 0 339.527 3.400 20 0 EGADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726588 309365356 /nfs/dbraw/zinc/36/53/56/309365356.db2.gz FLRWSUOUUIYQJZ-JQFCIGGWSA-N 2 0 341.421 3.010 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422728741 309365486 /nfs/dbraw/zinc/36/54/86/309365486.db2.gz GVWFDPYYYOEZFQ-ZLGUVYLKSA-N 2 0 340.467 3.108 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422736395 309365920 /nfs/dbraw/zinc/36/59/20/309365920.db2.gz WBTHHOFKOXWCCQ-UONOGXRCSA-N 2 0 345.409 3.271 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H](C)C3C[NH2+]C3)CCCCC2)cc1OC ZINC000422736418 309365956 /nfs/dbraw/zinc/36/59/56/309365956.db2.gz WDXCCUSOJHHDGR-HNNXBMFYSA-N 2 0 332.488 3.103 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422747691 309366456 /nfs/dbraw/zinc/36/64/56/309366456.db2.gz ZJYSYWPZAOJDPX-JXFKEZNVSA-N 2 0 338.499 3.164 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422750518 309366544 /nfs/dbraw/zinc/36/65/44/309366544.db2.gz BHEFEINNJKCQFS-CRAIPNDOSA-N 2 0 336.907 3.495 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422757116 309366798 /nfs/dbraw/zinc/36/67/98/309366798.db2.gz JMMLDVWSMBBLAD-OAGGEKHMSA-N 2 0 332.536 3.256 20 0 EGADRP c1ccc(NCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756135 309366807 /nfs/dbraw/zinc/36/68/07/309366807.db2.gz LIGZNQZUAXRJRK-FPOVZHCZSA-N 2 0 337.467 3.334 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000422761887 309367012 /nfs/dbraw/zinc/36/70/12/309367012.db2.gz NCAOAXKBNBKKDM-KFKAGJAMSA-N 2 0 334.479 3.370 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000422785457 309368008 /nfs/dbraw/zinc/36/80/08/309368008.db2.gz JSXVSEFYHBZFHF-VQTJNVASSA-N 2 0 336.414 3.288 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422787286 309368294 /nfs/dbraw/zinc/36/82/94/309368294.db2.gz UNBONDRTCOUGGQ-NJZAAPMLSA-N 2 0 347.286 3.104 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422793026 309368370 /nfs/dbraw/zinc/36/83/70/309368370.db2.gz XMSSRAFDHSEWFE-KDOFPFPSSA-N 2 0 327.428 3.100 20 0 EGADRP CCCC[NH+]1CCC(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422794733 309368581 /nfs/dbraw/zinc/36/85/81/309368581.db2.gz ZEVLZOFXYDTPDC-FPOVZHCZSA-N 2 0 343.515 3.096 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422794910 309368741 /nfs/dbraw/zinc/36/87/41/309368741.db2.gz UTBFFUCAFYTMBM-QRWLVFNGSA-N 2 0 326.488 3.026 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422796860 309368886 /nfs/dbraw/zinc/36/88/86/309368886.db2.gz ZELLCWOZSKDQNI-XWPNQZOQSA-N 2 0 332.488 3.363 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000422798274 309368977 /nfs/dbraw/zinc/36/89/77/309368977.db2.gz QLBROEQBPKLXMY-VAMGGRTRSA-N 2 0 333.520 3.328 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422830410 309370772 /nfs/dbraw/zinc/37/07/72/309370772.db2.gz QZPMMBLVBBHIAH-HSALFYBXSA-N 3 0 347.572 3.470 20 0 EGADRP c1ccc(COCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422834626 309370974 /nfs/dbraw/zinc/37/09/74/309370974.db2.gz ZXFLOEFOBZKNIU-CTNGQTDRSA-N 2 0 338.451 3.049 20 0 EGADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000422843893 309371633 /nfs/dbraw/zinc/37/16/33/309371633.db2.gz KAFDZUXELFJXDW-KZNAEPCWSA-N 2 0 332.488 3.494 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422847741 309371768 /nfs/dbraw/zinc/37/17/68/309371768.db2.gz RXZQGMMYVIWIJC-WOSRLPQWSA-N 2 0 327.875 3.331 20 0 EGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422851128 309372012 /nfs/dbraw/zinc/37/20/12/309372012.db2.gz OLJKVUDQMLNPFY-GUDVDZBRSA-N 2 0 345.531 3.422 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(O[C@@H]2CCOC2)c1 ZINC000422869886 309372896 /nfs/dbraw/zinc/37/28/96/309372896.db2.gz AXFZKSJORDGADJ-UAFMIMERSA-N 2 0 344.499 3.173 20 0 EGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H](C)CCC[NH3+])c2)cc1 ZINC000422881444 309373947 /nfs/dbraw/zinc/37/39/47/309373947.db2.gz NPVOCYZGCIEEKQ-KRWDZBQOSA-N 2 0 339.483 3.142 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422891538 309374593 /nfs/dbraw/zinc/37/45/93/309374593.db2.gz VSTAONUSBUUQDY-NNFYAJEDSA-N 2 0 327.516 3.016 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(N2CCCCC2)n1 ZINC000422894756 309374684 /nfs/dbraw/zinc/37/46/84/309374684.db2.gz DDTOMGKTNBVKBN-GUDVDZBRSA-N 2 0 328.504 3.082 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1OC1CCCC1 ZINC000422940881 309377421 /nfs/dbraw/zinc/37/74/21/309377421.db2.gz NQJPXKVFWQBALR-QAPCUYQASA-N 2 0 332.488 3.494 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422961526 309378435 /nfs/dbraw/zinc/37/84/35/309378435.db2.gz ZBHMZDUZDQZRGF-CABCVRRESA-N 2 0 334.851 3.182 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422963637 309378475 /nfs/dbraw/zinc/37/84/75/309378475.db2.gz JGMNHNOEFIXFBM-JXFKEZNVSA-N 2 0 326.488 3.091 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422982233 309379446 /nfs/dbraw/zinc/37/94/46/309379446.db2.gz WFVOIGNESWKGRX-JJXUHFIVSA-N 2 0 338.451 3.169 20 0 EGADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422987942 309379680 /nfs/dbraw/zinc/37/96/80/309379680.db2.gz JMBMDFPUWBJRET-RXVVDRJESA-N 2 0 343.515 3.095 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000423005140 309380653 /nfs/dbraw/zinc/38/06/53/309380653.db2.gz QVUSBUYDQUDINW-CMZZOHRZSA-N 3 0 327.516 3.160 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCc2ccccc21 ZINC000423014221 309380896 /nfs/dbraw/zinc/38/08/96/309380896.db2.gz HWKUGQIQPNKKNN-CWJKEVGVSA-N 2 0 328.500 3.027 20 0 EGADRP COc1ccccc1[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccn1 ZINC000423014113 309380926 /nfs/dbraw/zinc/38/09/26/309380926.db2.gz OIMFHFSPZSTENY-PMTKGXAQSA-N 2 0 325.456 3.287 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(OC2CCC2)n1 ZINC000423015112 309381044 /nfs/dbraw/zinc/38/10/44/309381044.db2.gz QLWGHDHDSDAPLZ-GUDVDZBRSA-N 2 0 329.488 3.413 20 0 EGADRP CC[C@@H](Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000423020820 309381335 /nfs/dbraw/zinc/38/13/35/309381335.db2.gz ALNDPNCTTDSCMD-UXHICEINSA-N 2 0 330.520 3.160 20 0 EGADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022481 309381561 /nfs/dbraw/zinc/38/15/61/309381561.db2.gz HTBKJNOQPHJDDH-BAGBSZHRSA-N 2 0 339.886 3.202 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(-c2ccccc2)n1 ZINC000423036962 309382272 /nfs/dbraw/zinc/38/22/72/309382272.db2.gz VFABABATAGZGEF-HSALFYBXSA-N 2 0 338.499 3.488 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423061286 309383672 /nfs/dbraw/zinc/38/36/72/309383672.db2.gz QLQWNGUPTDTIMJ-VBNZEHGJSA-N 2 0 342.405 3.079 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)N(C)C ZINC000423060883 309383700 /nfs/dbraw/zinc/38/37/00/309383700.db2.gz PPJRFWONZOGUAI-XPIZARPCSA-N 2 0 340.515 3.499 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423072607 309384425 /nfs/dbraw/zinc/38/44/25/309384425.db2.gz PUZGHRSNOXAFGM-SLFFLAALSA-N 2 0 332.488 3.031 20 0 EGADRP [NH3+]CC1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000423074154 309384538 /nfs/dbraw/zinc/38/45/38/309384538.db2.gz KTXMIWAHESYRCF-PEVDHWGLSA-N 2 0 334.479 3.007 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423086036 309385124 /nfs/dbraw/zinc/38/51/24/309385124.db2.gz MCWOGJMDRFLFJB-SJLPKXTDSA-N 2 0 338.499 3.416 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423086034 309385127 /nfs/dbraw/zinc/38/51/27/309385127.db2.gz MCWOGJMDRFLFJB-AEFFLSMTSA-N 2 0 338.499 3.416 20 0 EGADRP COc1cc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1Cl ZINC000423134356 309387524 /nfs/dbraw/zinc/38/75/24/309387524.db2.gz MAMIAGUBQBFWPH-KBXCAEBGSA-N 2 0 332.875 3.439 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c2ccccc21 ZINC000423136074 309387908 /nfs/dbraw/zinc/38/79/08/309387908.db2.gz GPKLXJVKQPJILV-GDIGMMSISA-N 2 0 325.431 3.386 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423142465 309388120 /nfs/dbraw/zinc/38/81/20/309388120.db2.gz VHMDVKIBJUEDPK-ILZDJORESA-N 2 0 341.474 3.200 20 0 EGADRP C[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423142733 309388174 /nfs/dbraw/zinc/38/81/74/309388174.db2.gz VRLYTEUUSZSCPS-GIVPXCGWSA-N 2 0 329.532 3.409 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423151233 309388460 /nfs/dbraw/zinc/38/84/60/309388460.db2.gz CAWSIEYDDDWOJW-UGSOOPFHSA-N 2 0 336.838 3.406 20 0 EGADRP COCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423161629 309388920 /nfs/dbraw/zinc/38/89/20/309388920.db2.gz JKWAFDKYJKKWHH-YLJYHZDGSA-N 2 0 330.472 3.039 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1Cl ZINC000423181857 309389380 /nfs/dbraw/zinc/38/93/80/309389380.db2.gz JSVKQDHLGHYCJC-HNNXBMFYSA-N 2 0 339.911 3.073 20 0 EGADRP Cc1ccc(C)c([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423192523 309389990 /nfs/dbraw/zinc/38/99/90/309389990.db2.gz VQIJFOBKWBAINK-QFIPXVFZSA-N 2 0 337.511 3.278 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423205686 309390206 /nfs/dbraw/zinc/39/02/06/309390206.db2.gz FNEXZJIVFHVPOG-DOMZBBRYSA-N 2 0 339.277 3.252 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423213986 309390725 /nfs/dbraw/zinc/39/07/25/309390725.db2.gz KWJDNZBAJPRSDU-SFUIVIKGSA-N 2 0 330.472 3.146 20 0 EGADRP COCCC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000423225201 309391191 /nfs/dbraw/zinc/39/11/91/309391191.db2.gz LRMWMEYDUZRSBA-SWLSCSKDSA-N 2 0 329.282 3.244 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423249978 309392303 /nfs/dbraw/zinc/39/23/03/309392303.db2.gz PSCVLTBKWQCQDV-HZPDHXFCSA-N 2 0 332.492 3.211 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423255490 309392557 /nfs/dbraw/zinc/39/25/57/309392557.db2.gz AFUDWMHSOATSHI-QUCCMNQESA-N 3 0 329.532 3.061 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423271556 309393335 /nfs/dbraw/zinc/39/33/35/309393335.db2.gz IVUMFUGUDOZJMG-FKVLARQCSA-N 3 0 341.543 3.409 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000423307480 309394580 /nfs/dbraw/zinc/39/45/80/309394580.db2.gz NGVIZUWOJOCPRU-OXJNMPFZSA-N 2 0 337.467 3.273 20 0 EGADRP COc1ccc([C@H]([NH2+]C[C@@H](C)C[NH3+])C(C)C)c(Br)c1 ZINC000423314027 309394773 /nfs/dbraw/zinc/39/47/73/309394773.db2.gz XVCZNOYJASAVPJ-XHDPSFHLSA-N 2 0 329.282 3.339 20 0 EGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423318494 309394923 /nfs/dbraw/zinc/39/49/23/309394923.db2.gz BUHLETTXTIEVHL-LMQGHGSNSA-N 2 0 345.531 3.041 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423322347 309395068 /nfs/dbraw/zinc/39/50/68/309395068.db2.gz GYNWZLCGLXWPLE-PKOBYXMFSA-N 2 0 345.531 3.483 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000423323526 309395202 /nfs/dbraw/zinc/39/52/02/309395202.db2.gz HZZHHVJONYCLGO-IAGOWNOFSA-N 2 0 345.512 3.193 20 0 EGADRP CC1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC[NH2+]CC1 ZINC000423331004 309395438 /nfs/dbraw/zinc/39/54/38/309395438.db2.gz OBILQXQBEUPMGP-INIZCTEOSA-N 2 0 337.305 3.286 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000423334474 309395739 /nfs/dbraw/zinc/39/57/39/309395739.db2.gz OZGDEYPMWOVRQC-GPMSIDNRSA-N 2 0 329.488 3.245 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423337646 309395918 /nfs/dbraw/zinc/39/59/18/309395918.db2.gz RGEJMFWKIXUPRX-FUHIMQAGSA-N 2 0 345.531 3.154 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H](C)[NH3+] ZINC000423342649 309396162 /nfs/dbraw/zinc/39/61/62/309396162.db2.gz VDZLEJWRBJEPIQ-HLIPFELVSA-N 2 0 345.531 3.297 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356447 309396708 /nfs/dbraw/zinc/39/67/08/309396708.db2.gz JRXTZNFAJNBKGM-BXUZGUMPSA-N 2 0 329.257 3.251 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423365045 309397159 /nfs/dbraw/zinc/39/71/59/309397159.db2.gz PCCBFKIAICELFH-JSXRDJHFSA-N 3 0 327.516 3.019 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423369468 309397349 /nfs/dbraw/zinc/39/73/49/309397349.db2.gz CGQNWSSUPHEGRW-VQIMIIECSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000423393335 309398409 /nfs/dbraw/zinc/39/84/09/309398409.db2.gz QZJCXERMRBSQRH-QFBILLFUSA-N 2 0 333.520 3.056 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ncc(Br)cc1F ZINC000423430901 309399987 /nfs/dbraw/zinc/39/99/87/309399987.db2.gz UZNJBITZDGMNLA-SRVKXCTJSA-N 2 0 344.272 3.399 20 0 EGADRP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423427669 309400124 /nfs/dbraw/zinc/40/01/24/309400124.db2.gz GCGKOUICUPVZDU-YESZJQIVSA-N 2 0 335.289 3.414 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000423453180 309400911 /nfs/dbraw/zinc/40/09/11/309400911.db2.gz AGVNFHPEPOYYSB-JCURWCKSSA-N 2 0 337.305 3.414 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423461234 309401112 /nfs/dbraw/zinc/40/11/12/309401112.db2.gz NSXNSOGPGUZSCA-JGGQBBKZSA-N 2 0 347.894 3.397 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000423491061 309402713 /nfs/dbraw/zinc/40/27/13/309402713.db2.gz JAAMZJGTSRZHHO-UXIGCNINSA-N 2 0 339.277 3.380 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000423539048 309405704 /nfs/dbraw/zinc/40/57/04/309405704.db2.gz ASDKDTVFMOOQRE-YSDSKTICSA-N 2 0 348.918 3.408 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nc2ccc(Cl)cc2n1C ZINC000423541712 309405810 /nfs/dbraw/zinc/40/58/10/309405810.db2.gz LMHYDEIABCXAQA-PWNZVWSESA-N 2 0 332.879 3.265 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423558258 309406208 /nfs/dbraw/zinc/40/62/08/309406208.db2.gz RZIBDTAXLJYDER-XZUYRWCXSA-N 2 0 341.318 3.476 20 0 EGADRP C[C@@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423787320 309412657 /nfs/dbraw/zinc/41/26/57/309412657.db2.gz CBBRBHSALYTZGX-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000424077418 309428541 /nfs/dbraw/zinc/42/85/41/309428541.db2.gz ODAUMZVUUAUTQY-HNAYVOBHSA-N 2 0 331.504 3.400 20 0 EGADRP CC(C)CCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000429324823 309578573 /nfs/dbraw/zinc/57/85/73/309578573.db2.gz DXYYPQFKDMJGLW-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000430698453 309615237 /nfs/dbraw/zinc/61/52/37/309615237.db2.gz NLSBXZJZELYUDT-QRQLOZEOSA-N 2 0 330.520 3.138 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000430951910 309622016 /nfs/dbraw/zinc/62/20/16/309622016.db2.gz NKSHJQNTEZIJDK-INIZCTEOSA-N 2 0 331.504 3.377 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000433116693 309679188 /nfs/dbraw/zinc/67/91/88/309679188.db2.gz MQRQOVIQBPLTNF-UXHICEINSA-N 2 0 339.483 3.099 20 0 EGADRP Cc1cccc(C2(NC(=O)CCC[NH+]3CCC([NH3+])CC3)CCCC2)c1 ZINC000433134098 309679669 /nfs/dbraw/zinc/67/96/69/309679669.db2.gz GEYIWFVKYGEWOH-UHFFFAOYSA-N 2 0 343.515 3.084 20 0 EGADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000433164065 309680276 /nfs/dbraw/zinc/68/02/76/309680276.db2.gz QBFLNXUKNHHXQA-QGZVFWFLSA-N 2 0 337.895 3.111 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[NH2+][C@@H](C)c1ccccc1 ZINC000444166829 309915141 /nfs/dbraw/zinc/91/51/41/309915141.db2.gz LGMBQADKAOYLEE-XKGZKEIXSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000446886452 309970350 /nfs/dbraw/zinc/97/03/50/309970350.db2.gz GQAFWAHKINAVLU-UWJYYQICSA-N 3 0 333.564 3.494 20 0 EGADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCOCC[NH+](C)C)cc1F ZINC000447601474 309984087 /nfs/dbraw/zinc/98/40/87/309984087.db2.gz PIGZUQIAAGQYHN-WMZOPIPTSA-N 2 0 338.467 3.028 20 0 EGADRP CCOC(=O)c1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)[nH]c1C ZINC000449085008 310035874 /nfs/dbraw/zinc/03/58/74/310035874.db2.gz ZQYFYGLFZPNOEP-UHFFFAOYSA-N 2 0 335.492 3.102 20 0 EGADRP CSCC1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000449099917 310037073 /nfs/dbraw/zinc/03/70/73/310037073.db2.gz AIIJDZOPNRAZEG-VYMRPNJYSA-N 2 0 328.566 3.387 20 0 EGADRP COCCC[NH+]1CCC([NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449110690 310037887 /nfs/dbraw/zinc/03/78/87/310037887.db2.gz FYWUTLZNLUOULL-UHFFFAOYSA-N 2 0 342.483 3.439 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000449163332 310041393 /nfs/dbraw/zinc/04/13/93/310041393.db2.gz LVIRSNJRPNTNHJ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](CC(C)(C)C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000449180327 310042755 /nfs/dbraw/zinc/04/27/55/310042755.db2.gz ZSUGMCOFCNVRGQ-HNNXBMFYSA-N 2 0 325.541 3.027 20 0 EGADRP CSCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000449188765 310043190 /nfs/dbraw/zinc/04/31/90/310043190.db2.gz KYLJCSBUWMZXSE-LRMJVLKBSA-N 2 0 340.577 3.266 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449218692 310045387 /nfs/dbraw/zinc/04/53/87/310045387.db2.gz ACLNKCOYXLEGKA-HNNXBMFYSA-N 2 0 347.272 3.035 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449219592 310045420 /nfs/dbraw/zinc/04/54/20/310045420.db2.gz NWGWEODHCOQTIG-QUCCMNQESA-N 2 0 349.950 3.278 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449223023 310045813 /nfs/dbraw/zinc/04/58/13/310045813.db2.gz NLOCTXFNDSPMRJ-KVZIAJEVSA-N 2 0 326.525 3.203 20 0 EGADRP Cn1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(-c2ccc(F)cc2)n1 ZINC000449244269 310047277 /nfs/dbraw/zinc/04/72/77/310047277.db2.gz RDTBROKNXQKTIF-UHFFFAOYSA-N 2 0 344.478 3.438 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000449560673 310072166 /nfs/dbraw/zinc/07/21/66/310072166.db2.gz OGEDZBBNBGNSLH-MIGBEJBISA-N 2 0 332.488 3.158 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1)C(C)C ZINC000449704859 310081648 /nfs/dbraw/zinc/08/16/48/310081648.db2.gz IRCPDQPPFCBCCZ-SFHVURJKSA-N 2 0 331.504 3.035 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(C)cc(Cl)cc2C)CC1 ZINC000449745286 310083779 /nfs/dbraw/zinc/08/37/79/310083779.db2.gz MOAJSOTUSMUSRU-UHFFFAOYSA-N 2 0 337.939 3.463 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000450252852 310111126 /nfs/dbraw/zinc/11/11/26/310111126.db2.gz KNKPTOAFXBUYHQ-UHFFFAOYSA-N 2 0 339.483 3.346 20 0 EGADRP CCc1ccc2[nH+]ccc(NC3CC[NH+](CCCOC)CC3)c2c1 ZINC000450301418 310114148 /nfs/dbraw/zinc/11/41/48/310114148.db2.gz FUYIOKKWORAXSM-UHFFFAOYSA-N 2 0 327.472 3.132 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000450334223 310116179 /nfs/dbraw/zinc/11/61/79/310116179.db2.gz ZIUMKCYEAYHXBU-SFHVURJKSA-N 2 0 339.483 3.346 20 0 EGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450612190 310132900 /nfs/dbraw/zinc/13/29/00/310132900.db2.gz JHXWAORMKREDGF-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453056036 310254727 /nfs/dbraw/zinc/25/47/27/310254727.db2.gz KOCGQNKAFUCZLD-HKBOAZHASA-N 2 0 338.499 3.306 20 0 EGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](C2CC2)C2CCCC2)c1 ZINC000453101328 310257996 /nfs/dbraw/zinc/25/79/96/310257996.db2.gz YVTZGGYOVWZBKD-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453187807 310263022 /nfs/dbraw/zinc/26/30/22/310263022.db2.gz AOBFWUQSWQICDC-XUVXKRRUSA-N 2 0 328.500 3.182 20 0 EGADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C[NH+](C)C ZINC000453225822 310265381 /nfs/dbraw/zinc/26/53/81/310265381.db2.gz CBVLDGLWLOAXHN-CWJKEVGVSA-N 2 0 329.532 3.217 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453228910 310265540 /nfs/dbraw/zinc/26/55/40/310265540.db2.gz ZRLITXXZDHOGAQ-BFGFKNPTSA-N 2 0 328.500 3.180 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000453310621 310270383 /nfs/dbraw/zinc/27/03/83/310270383.db2.gz FTESBLQJGQXSKT-FHWLQOOXSA-N 2 0 338.536 3.062 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2F)[C@H](C)C1 ZINC000453340906 310272082 /nfs/dbraw/zinc/27/20/82/310272082.db2.gz HFEVQMDCCHVUSM-XLIONFOSSA-N 2 0 336.495 3.403 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCCC1 ZINC000453367617 310273216 /nfs/dbraw/zinc/27/32/16/310273216.db2.gz DKTBBDBTKYWNFS-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@]2(CCOC2)C1 ZINC000453381829 310273958 /nfs/dbraw/zinc/27/39/58/310273958.db2.gz RIFXWROOWRIJJV-GIVPXCGWSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CN(Cc2ccccc2)C1 ZINC000453590197 310283241 /nfs/dbraw/zinc/28/32/41/310283241.db2.gz AYMWJHCFBYBFTM-QUCCMNQESA-N 2 0 329.532 3.361 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cnc(C)cc2C)C1 ZINC000454488257 310312364 /nfs/dbraw/zinc/31/23/64/310312364.db2.gz PXMWWBHSJDWKCE-QGZVFWFLSA-N 2 0 346.519 3.398 20 0 EGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000455855920 310379787 /nfs/dbraw/zinc/37/97/87/310379787.db2.gz NXSQOSVUDYSNJI-AUUYWEPGSA-N 2 0 342.487 3.007 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@@H]1C ZINC000455933968 310382746 /nfs/dbraw/zinc/38/27/46/310382746.db2.gz QSQMTRMFMDMWFU-DOXZYTNZSA-N 2 0 344.503 3.182 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000456211039 310393556 /nfs/dbraw/zinc/39/35/56/310393556.db2.gz XJUTZHNIJQQYDC-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456338897 310399312 /nfs/dbraw/zinc/39/93/12/310399312.db2.gz OLZWIHPGWTZXAP-ROUUACIJSA-N 2 0 345.531 3.134 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459289281 310541674 /nfs/dbraw/zinc/54/16/74/310541674.db2.gz AIXKXUXZDRKVHO-UHFFFAOYSA-N 2 0 340.471 3.013 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459379613 310548554 /nfs/dbraw/zinc/54/85/54/310548554.db2.gz SNIYFKWFTXVSMQ-OALUTQOASA-N 3 0 344.547 3.398 20 0 EGADRP CO[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000459426908 310551812 /nfs/dbraw/zinc/55/18/12/310551812.db2.gz NWDRXXQOESBDSP-IBGZPJMESA-N 2 0 329.419 3.167 20 0 EGADRP C[C@@H](CCc1ccccc1)C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000472136093 310759799 /nfs/dbraw/zinc/75/97/99/310759799.db2.gz HQCWOAPFMQIXEF-IBGZPJMESA-N 2 0 331.548 3.261 20 0 EGADRP CCc1cccc(Cl)c1C[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000474372572 310791848 /nfs/dbraw/zinc/79/18/48/310791848.db2.gz NAEDKNKXLAMLLL-MRXNPFEDSA-N 2 0 337.939 3.266 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000474801787 310799550 /nfs/dbraw/zinc/79/95/50/310799550.db2.gz ZIKHHLQQOLURKE-APAFKAMOSA-N 2 0 338.536 3.454 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000479534256 310877202 /nfs/dbraw/zinc/87/72/02/310877202.db2.gz SUWQWWBPNBUPOE-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487013220 311006826 /nfs/dbraw/zinc/00/68/26/311006826.db2.gz CFVWZIZGTKQCDL-IRXDYDNUSA-N 2 0 343.515 3.131 20 0 EGADRP C(=C/c1ccncc1)\C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000487300260 311019457 /nfs/dbraw/zinc/01/94/57/311019457.db2.gz FVZIGPPASUCPQG-ONEGZZNKSA-N 2 0 337.467 3.359 20 0 EGADRP C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000492353045 311241210 /nfs/dbraw/zinc/24/12/10/311241210.db2.gz QLABYVNVVYVSQU-SVFBPWRDSA-N 2 0 329.532 3.219 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496432290 311711879 /nfs/dbraw/zinc/71/18/79/311711879.db2.gz AJLFHPLPGVTCPI-NVXWUHKLSA-N 2 0 339.524 3.144 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000498185986 311876570 /nfs/dbraw/zinc/87/65/70/311876570.db2.gz XCVUFKKDFBGJNE-FQEVSTJZSA-N 2 0 331.504 3.417 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000503969036 311998340 /nfs/dbraw/zinc/99/83/40/311998340.db2.gz JCHYXZRZHQWPHS-UHFFFAOYSA-N 2 0 330.394 3.358 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000506471536 312049706 /nfs/dbraw/zinc/04/97/06/312049706.db2.gz CWXKNZSDWAUGJW-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000508034519 312087451 /nfs/dbraw/zinc/08/74/51/312087451.db2.gz GKNIJKFPBLGXHJ-LJQANCHMSA-N 2 0 348.535 3.050 20 0 EGADRP CC(C)C[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718462 312100757 /nfs/dbraw/zinc/10/07/57/312100757.db2.gz NTSUXHICHXKHHJ-SESVDKBCSA-N 2 0 331.548 3.463 20 0 EGADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000510669667 312146171 /nfs/dbraw/zinc/14/61/71/312146171.db2.gz LLXOVRNSOCFKOQ-AWEZNQCLSA-N 2 0 344.421 3.073 20 0 EGADRP Cc1cccc([C@H]([NH2+]CCOCC[NH+](C)C)c2cccc(F)c2)c1 ZINC000510943454 312151494 /nfs/dbraw/zinc/15/14/94/312151494.db2.gz JVBKDYVRKCXPQQ-FQEVSTJZSA-N 2 0 330.447 3.391 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000513476582 312211139 /nfs/dbraw/zinc/21/11/39/312211139.db2.gz OBBQYPLGTNNENR-INIZCTEOSA-N 2 0 349.485 3.361 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000515056081 312262950 /nfs/dbraw/zinc/26/29/50/312262950.db2.gz KTTUIPCJHICUAT-HZPDHXFCSA-N 2 0 337.533 3.025 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000515385743 312280477 /nfs/dbraw/zinc/28/04/77/312280477.db2.gz ALVFIODBOZCESO-HOJAQTOUSA-N 2 0 349.563 3.397 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528388917 313081508 /nfs/dbraw/zinc/08/15/08/313081508.db2.gz RSZJIBNHILXKTN-UXHICEINSA-N 2 0 334.479 3.334 20 0 EGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528510590 313108628 /nfs/dbraw/zinc/10/86/28/313108628.db2.gz AVDVNWRVEIUSCU-NYLDSWQDSA-N 2 0 328.500 3.103 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc2n1 ZINC000530248300 313505294 /nfs/dbraw/zinc/50/52/94/313505294.db2.gz IINILHIZLCKIKP-HXUWFJFHSA-N 2 0 339.483 3.134 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](CO)Cc3ccco3)CC2)C1 ZINC000532025352 313745412 /nfs/dbraw/zinc/74/54/12/313745412.db2.gz ZPIRFVDSERMYFR-AOIWGVFYSA-N 2 0 334.504 3.063 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CCOCC1 ZINC000532487694 313806342 /nfs/dbraw/zinc/80/63/42/313806342.db2.gz UTSLDRYKMOBUDH-HXUWFJFHSA-N 2 0 334.504 3.312 20 0 EGADRP COC(=O)c1oc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000537037165 314157954 /nfs/dbraw/zinc/15/79/54/314157954.db2.gz RBIZWSFUIQBACA-HNNXBMFYSA-N 2 0 336.476 3.488 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000537095600 314161213 /nfs/dbraw/zinc/16/12/13/314161213.db2.gz GUNKOHYENQCAKY-ZIFCJYIRSA-N 2 0 326.488 3.371 20 0 EGADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000537305683 314173587 /nfs/dbraw/zinc/17/35/87/314173587.db2.gz GDCJXTVJLAABLZ-OHDICMOHSA-N 2 0 334.504 3.337 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000537963664 314220244 /nfs/dbraw/zinc/22/02/44/314220244.db2.gz ROWZOPVIKANSHK-PXNSSMCTSA-N 2 0 334.504 3.230 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000539041489 314291069 /nfs/dbraw/zinc/29/10/69/314291069.db2.gz LHLBLNDGZWIESO-KOUHRCEDSA-N 3 0 329.532 3.359 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1)CC(C)C ZINC000539096270 314295836 /nfs/dbraw/zinc/29/58/36/314295836.db2.gz BXXDPIIATYQBOC-GOSISDBHSA-N 2 0 339.568 3.227 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccn(C)n1 ZINC000541742377 314484412 /nfs/dbraw/zinc/48/44/12/314484412.db2.gz WTQFDQKEDNXLAB-KRWDZBQOSA-N 2 0 332.517 3.435 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000542501682 314551289 /nfs/dbraw/zinc/55/12/89/314551289.db2.gz CMMOXCHSEISZQW-CVEARBPZSA-N 2 0 333.520 3.399 20 0 EGADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCSCC1 ZINC000547978794 314956808 /nfs/dbraw/zinc/95/68/08/314956808.db2.gz IXNGRLYNWTUIAU-FXAWDEMLSA-N 2 0 347.572 3.096 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)NC2CCCC2)CC1)CC(C)C ZINC000552647711 315226873 /nfs/dbraw/zinc/22/68/73/315226873.db2.gz ABNIAPZZGKPNMG-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000553976368 315291798 /nfs/dbraw/zinc/29/17/98/315291798.db2.gz AFVGZZWQKJAKBR-KRWDZBQOSA-N 2 0 331.504 3.065 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000555537339 315388885 /nfs/dbraw/zinc/38/88/85/315388885.db2.gz LSVQZQPEJJMDCX-SFHVURJKSA-N 2 0 329.532 3.317 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000555571988 315391718 /nfs/dbraw/zinc/39/17/18/315391718.db2.gz HCPWRDKRXNLZHQ-IBGZPJMESA-N 2 0 334.479 3.381 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556872704 315478197 /nfs/dbraw/zinc/47/81/97/315478197.db2.gz RDANHBBMYRSQEJ-OAHLLOKOSA-N 2 0 340.458 3.376 20 0 EGADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1CC(C)C1 ZINC000557574608 315519540 /nfs/dbraw/zinc/51/95/40/315519540.db2.gz IERQWXUPWFXSTB-SFHVURJKSA-N 2 0 343.515 3.019 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cc2s1 ZINC000563462285 316025917 /nfs/dbraw/zinc/02/59/17/316025917.db2.gz VVPNRAHXPMJVFL-SJLPKXTDSA-N 2 0 345.512 3.323 20 0 EGADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000564201071 316122884 /nfs/dbraw/zinc/12/28/84/316122884.db2.gz PIFOGZCZHVXTMT-NJDAHSKKSA-N 2 0 329.532 3.407 20 0 EGADRP CC1CCC(O)(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000564375489 316144153 /nfs/dbraw/zinc/14/41/53/316144153.db2.gz ALMUXBHIFDOQMB-MOBXORJESA-N 2 0 342.527 3.382 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459658 316155819 /nfs/dbraw/zinc/15/58/19/316155819.db2.gz LVBSBGUUTNKGSX-HBFSDRIKSA-N 2 0 345.531 3.285 20 0 EGADRP Oc1cc(F)cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000564507291 316159943 /nfs/dbraw/zinc/15/99/43/316159943.db2.gz ULUOPPQGRVVGOP-RBUKOAKNSA-N 2 0 340.442 3.485 20 0 EGADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000565313096 316308016 /nfs/dbraw/zinc/30/80/16/316308016.db2.gz ZQHOAFDNVZKTLA-FUHWJXTLSA-N 2 0 337.467 3.494 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000565420900 316321920 /nfs/dbraw/zinc/32/19/20/316321920.db2.gz PENRCYCCIPMWHQ-CGTJXYLNSA-N 2 0 331.504 3.140 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000565541956 316337652 /nfs/dbraw/zinc/33/76/52/316337652.db2.gz BFGSXRGZSPOETC-FQEVSTJZSA-N 2 0 343.515 3.067 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000566108386 316418070 /nfs/dbraw/zinc/41/80/70/316418070.db2.gz WKQICDDTXQQGQX-NRFANRHFSA-N 2 0 344.474 3.361 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000570088228 317005606 /nfs/dbraw/zinc/00/56/06/317005606.db2.gz CEHZDOLLBOTDFD-FZKQIMNGSA-N 2 0 345.874 3.392 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570632932 317084183 /nfs/dbraw/zinc/08/41/83/317084183.db2.gz LNVFRWGWCYRHIM-SJLPKXTDSA-N 2 0 343.515 3.459 20 0 EGADRP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000571735360 317238727 /nfs/dbraw/zinc/23/87/27/317238727.db2.gz WQFALZVCUMEKBI-JXFKEZNVSA-N 2 0 339.483 3.169 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000572106330 317291975 /nfs/dbraw/zinc/29/19/75/317291975.db2.gz QYDWLCMBEUNVMS-PMOLBWCYSA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000574703927 317627535 /nfs/dbraw/zinc/62/75/35/317627535.db2.gz IQYUKPVIASYMPX-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382720138 324252768 /nfs/dbraw/zinc/25/27/68/324252768.db2.gz LICUSGFVNVATTD-HOJAQTOUSA-N 2 0 343.515 3.017 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000383659757 324257143 /nfs/dbraw/zinc/25/71/43/324257143.db2.gz LGMHENGYQJHXOF-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP CN(C(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000386866195 324269818 /nfs/dbraw/zinc/26/98/18/324269818.db2.gz VFRSSWBEZRQLOY-QUCCMNQESA-N 2 0 343.515 3.017 20 0 EGADRP C[N@H+](Cc1ccccc1)C1(CNC2CC[NH+](C3CC3)CC2)CCC1 ZINC000387317031 324271034 /nfs/dbraw/zinc/27/10/34/324271034.db2.gz BYTUKFDGOXEUEZ-UHFFFAOYSA-N 2 0 327.516 3.258 20 0 EGADRP Cc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000417948340 324302805 /nfs/dbraw/zinc/30/28/05/324302805.db2.gz HOTVJNUYWCCDRD-IEBWSBKVSA-N 2 0 326.488 3.119 20 0 EGADRP CC(C)C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000578130136 324923121 /nfs/dbraw/zinc/92/31/21/324923121.db2.gz UAUGXTCJWINYQT-NZSAHSFTSA-N 2 0 331.504 3.010 20 0 EGADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)n1 ZINC000579237188 325082058 /nfs/dbraw/zinc/08/20/58/325082058.db2.gz YCOYUQALBCGNRA-RRFJBIMHSA-N 2 0 334.851 3.240 20 0 EGADRP CC[C@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000579647976 325138670 /nfs/dbraw/zinc/13/86/70/325138670.db2.gz WGUGEZSMSUGCLE-HXUWFJFHSA-N 2 0 329.532 3.140 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000579715144 325149570 /nfs/dbraw/zinc/14/95/70/325149570.db2.gz QOJPSTRBBJRNGY-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000579822832 325163366 /nfs/dbraw/zinc/16/33/66/325163366.db2.gz ZTRJTJYVDKMEIN-CWRNSKLLSA-N 2 0 337.533 3.075 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000579986893 325186990 /nfs/dbraw/zinc/18/69/90/325186990.db2.gz HLJGIWKHEWXJPS-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000580056689 325196232 /nfs/dbraw/zinc/19/62/32/325196232.db2.gz BLPNEPRUOLYGHE-HNNXBMFYSA-N 2 0 334.504 3.265 20 0 EGADRP Cn1cc(-c2ccc(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)s2)cn1 ZINC000580713876 325287280 /nfs/dbraw/zinc/28/72/80/325287280.db2.gz MYUVCNMMQUDQOS-IRXDYDNUSA-N 2 0 330.501 3.255 20 0 EGADRP Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000581357593 325354767 /nfs/dbraw/zinc/35/47/67/325354767.db2.gz MVZIOPZCSONZCV-SJKOYZFVSA-N 2 0 346.475 3.287 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000581670995 325381621 /nfs/dbraw/zinc/38/16/21/325381621.db2.gz BZFXLXLXHXBXOP-UHFFFAOYSA-N 2 0 338.467 3.157 20 0 EGADRP CC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 ZINC000581708348 325384192 /nfs/dbraw/zinc/38/41/92/325384192.db2.gz CDNPXPXRFFJAQJ-SFTDATJTSA-N 2 0 338.499 3.111 20 0 EGADRP CN(C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879867 325395793 /nfs/dbraw/zinc/39/57/93/325395793.db2.gz CRLMEZSQIPFYEH-VDZJLULYSA-N 2 0 336.907 3.411 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000581940733 325400812 /nfs/dbraw/zinc/40/08/12/325400812.db2.gz XPFVDPXGEMTKSD-WMZOPIPTSA-N 2 0 337.895 3.111 20 0 EGADRP [NH3+][C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000237856861 455225733 /nfs/dbraw/zinc/22/57/33/455225733.db2.gz WRRMSBIDOCSJSH-IAGOWNOFSA-N 2 0 343.496 3.091 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180736026 455236183 /nfs/dbraw/zinc/23/61/83/455236183.db2.gz OSQBMQZGJSKGBN-SJORKVTESA-N 2 0 343.515 3.280 20 0 EGADRP O=C(NCC[NH2+]C1CCCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000238121188 455254473 /nfs/dbraw/zinc/25/44/73/455254473.db2.gz SFJGXIBTUBODMJ-UHFFFAOYSA-N 2 0 343.515 3.325 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000173318129 455265059 /nfs/dbraw/zinc/26/50/59/455265059.db2.gz QWDXBOAQFJOAQF-CYBMUJFWSA-N 2 0 329.282 3.068 20 0 EGADRP CC(C)CC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000158125628 455271812 /nfs/dbraw/zinc/27/18/12/455271812.db2.gz BKYDPNKSTNLNLG-IBGZPJMESA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000027762490 453820428 /nfs/dbraw/zinc/82/04/28/453820428.db2.gz ZVPUCTRXVPRNAK-SFHVURJKSA-N 2 0 343.515 3.277 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2ccccc2s1 ZINC000052819040 453846659 /nfs/dbraw/zinc/84/66/59/453846659.db2.gz FQQCMBUWBGDQFJ-UHFFFAOYSA-N 2 0 347.528 3.247 20 0 EGADRP CC(C)C[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000067264692 453915189 /nfs/dbraw/zinc/91/51/89/453915189.db2.gz IRDLRLVMIVDQNF-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056523585 454064308 /nfs/dbraw/zinc/06/43/08/454064308.db2.gz JOYWOCRUMACLJH-KRWDZBQOSA-N 2 0 331.504 3.294 20 0 EGADRP C(CC[N@@H+]1CCCO[C@H]2CCC[C@@H]21)C[NH+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000077316992 454089982 /nfs/dbraw/zinc/08/99/82/454089982.db2.gz IFBXPPGHDLXSJB-LWYYNNOASA-N 2 0 336.520 3.053 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000044277507 454094388 /nfs/dbraw/zinc/09/43/88/454094388.db2.gz JZKXLJCLELVMJK-UHFFFAOYSA-N 2 0 340.471 3.132 20 0 EGADRP CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000077364546 454097548 /nfs/dbraw/zinc/09/75/48/454097548.db2.gz NHJHYEACCHUFDX-LJQANCHMSA-N 2 0 337.552 3.266 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000044518735 454104649 /nfs/dbraw/zinc/10/46/49/454104649.db2.gz DMMCGQWINARMKM-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000245946721 455405580 /nfs/dbraw/zinc/40/55/80/455405580.db2.gz AFADYRSMETZLMI-ZWKOTPCHSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1nn(C)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246091492 455424571 /nfs/dbraw/zinc/42/45/71/455424571.db2.gz IPUAPVBFJIGATP-FPOVZHCZSA-N 2 0 338.499 3.215 20 0 EGADRP COc1cc[nH+]c(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000089805764 454204445 /nfs/dbraw/zinc/20/44/45/454204445.db2.gz LVRMCWBODRABAB-UHFFFAOYSA-N 2 0 340.471 3.233 20 0 EGADRP C[N@H+](Cc1ccccc1C[NH2+][C@@H]1CCNC(=O)CC1)C1CCCCC1 ZINC000634954918 460628051 /nfs/dbraw/zinc/62/80/51/460628051.db2.gz RFLQUWGIQSRGRR-IBGZPJMESA-N 2 0 343.515 3.209 20 0 EGADRP CSC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000090113395 454281485 /nfs/dbraw/zinc/28/14/85/454281485.db2.gz NHZWLPYRWRWLGM-UHFFFAOYSA-N 2 0 326.550 3.285 20 0 EGADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090234732 454296858 /nfs/dbraw/zinc/29/68/58/454296858.db2.gz ZYPQUBDBLNGKMF-HUUCEWRRSA-N 2 0 328.378 3.344 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000132137954 454317025 /nfs/dbraw/zinc/31/70/25/454317025.db2.gz XBOOWKUMXLWUAY-NWDGAFQWSA-N 2 0 327.266 3.108 20 0 EGADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090810463 454343276 /nfs/dbraw/zinc/34/32/76/454343276.db2.gz OQMKSKBAWBBOBZ-VQIMIIECSA-N 2 0 336.520 3.321 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(F)cc2)C(C)(C)C)CC1 ZINC000132784426 454365053 /nfs/dbraw/zinc/36/50/53/454365053.db2.gz FDNXLOSHCLKNEY-UHFFFAOYSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000121021371 454379109 /nfs/dbraw/zinc/37/91/09/454379109.db2.gz ZDHQFHYBIQPNMY-PZJWPPBQSA-N 2 0 331.548 3.117 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000091334793 454427948 /nfs/dbraw/zinc/42/79/48/454427948.db2.gz DWDDBADSHCGMSM-OXJNMPFZSA-N 2 0 333.495 3.283 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000121499465 454442879 /nfs/dbraw/zinc/44/28/79/454442879.db2.gz JVUVUWDEXVGJIL-IRXDYDNUSA-N 2 0 337.471 3.423 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000133650803 454450850 /nfs/dbraw/zinc/45/08/50/454450850.db2.gz IZSQWDAIDZTJNK-WWGRRREGSA-N 2 0 341.293 3.146 20 0 EGADRP C[C@H](c1ccccn1)[N@H+](C)CCOCC[NH+](C)[C@@H](C)c1ccccn1 ZINC000091702879 454460041 /nfs/dbraw/zinc/46/00/41/454460041.db2.gz TTZLDAFHGWADDU-HDICACEKSA-N 2 0 342.487 3.179 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000048565970 454498503 /nfs/dbraw/zinc/49/85/03/454498503.db2.gz VYSGWJGTKYPTBJ-UHFFFAOYSA-N 2 0 336.451 3.246 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c(CC)nn(C)c2CC)CC1 ZINC000134178016 454512645 /nfs/dbraw/zinc/51/26/45/454512645.db2.gz KBCDCMQINXZDAE-UHFFFAOYSA-N 2 0 334.552 3.489 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122564510 454547432 /nfs/dbraw/zinc/54/74/32/454547432.db2.gz WMEUSZIMRUNZIV-SJORKVTESA-N 2 0 339.524 3.144 20 0 EGADRP CC[C@]1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCC[NH2+]1 ZINC000134583999 454564632 /nfs/dbraw/zinc/56/46/32/454564632.db2.gz PZNPMVHZUCNKRY-OAQYLSRUSA-N 2 0 343.515 3.211 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)CC3 ZINC000123087195 454600342 /nfs/dbraw/zinc/60/03/42/454600342.db2.gz PLWQAASBOGRAQS-CABCVRRESA-N 2 0 339.483 3.108 20 0 EGADRP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123194263 454613020 /nfs/dbraw/zinc/61/30/20/454613020.db2.gz RGGSSSVNYSJMST-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000105476293 454640621 /nfs/dbraw/zinc/64/06/21/454640621.db2.gz PAQHTKHGWLVQIO-UHFFFAOYSA-N 2 0 330.303 3.111 20 0 EGADRP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123556403 454651621 /nfs/dbraw/zinc/65/16/21/454651621.db2.gz KNBGBCLTTAHMSL-TVRKMHQQSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000123578665 454654226 /nfs/dbraw/zinc/65/42/26/454654226.db2.gz SKFPBYDXVVBJBL-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123809373 454677523 /nfs/dbraw/zinc/67/75/23/454677523.db2.gz TUOGJAMEFRRAGL-OXJNMPFZSA-N 2 0 340.467 3.281 20 0 EGADRP FC(F)CN1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000623625515 460648066 /nfs/dbraw/zinc/64/80/66/460648066.db2.gz VERHGGPZJTWAQK-QGZVFWFLSA-N 2 0 329.479 3.103 20 0 EGADRP CCOC[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093839101 454739169 /nfs/dbraw/zinc/73/91/69/454739169.db2.gz QPOWOJRBYXJEJU-SFHVURJKSA-N 2 0 345.531 3.075 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)CCC(=O)N2 ZINC000635008799 460651798 /nfs/dbraw/zinc/65/17/98/460651798.db2.gz HDQWUWJOAAFCCL-CQSZACIVSA-N 2 0 335.451 3.068 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124688213 454760816 /nfs/dbraw/zinc/76/08/16/454760816.db2.gz DSUNOAMJWIFKFP-PRKQWTSCSA-N 2 0 329.532 3.215 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000635010577 460653363 /nfs/dbraw/zinc/65/33/63/460653363.db2.gz KIBLYSYKESUCIW-ZFWWWQNUSA-N 2 0 329.488 3.345 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000635011579 460653640 /nfs/dbraw/zinc/65/36/40/460653640.db2.gz QYJLOGVNFWHAJC-GCJKJVERSA-N 2 0 349.522 3.475 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000162573446 454784667 /nfs/dbraw/zinc/78/46/67/454784667.db2.gz OKADCHFYPWXLIT-QGZVFWFLSA-N 2 0 327.472 3.235 20 0 EGADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162577383 454784677 /nfs/dbraw/zinc/78/46/77/454784677.db2.gz LYKMAECXDVFYLO-LJQANCHMSA-N 2 0 347.547 3.400 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000138004146 454788252 /nfs/dbraw/zinc/78/82/52/454788252.db2.gz GZYXHXSBTIZOJC-GOSISDBHSA-N 2 0 326.488 3.293 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(Cl)c3)CC[C@@H]21 ZINC000162805227 454801169 /nfs/dbraw/zinc/80/11/69/454801169.db2.gz WHKSMGGALAUVLN-PBHICJAKSA-N 2 0 335.879 3.085 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000139074094 454801203 /nfs/dbraw/zinc/80/12/03/454801203.db2.gz GNXSHWJLZNPUMO-SFHVURJKSA-N 2 0 326.488 3.293 20 0 EGADRP Cc1csc(N2CCC([NH2+][C@H]3CCN(C4CCCC4)C3)CC2)n1 ZINC000153697638 454822011 /nfs/dbraw/zinc/82/20/11/454822011.db2.gz JDJKPFBLSBQDCS-INIZCTEOSA-N 2 0 334.533 3.027 20 0 EGADRP C[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713691 454823852 /nfs/dbraw/zinc/82/38/52/454823852.db2.gz CISTVZYITFGOPD-HKUYNNGSSA-N 2 0 345.531 3.295 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177265156 454844432 /nfs/dbraw/zinc/84/44/32/454844432.db2.gz ZIBUOXFZEQZVAQ-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@H+](C)CCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000163506870 454851863 /nfs/dbraw/zinc/85/18/63/454851863.db2.gz NFNCKSCYMBDTIX-UHFFFAOYSA-N 2 0 335.511 3.154 20 0 EGADRP CCC[C@H](C)[C@@H](CC)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163525104 454852640 /nfs/dbraw/zinc/85/26/40/454852640.db2.gz GHPXBMWLZNOJCM-FUHWJXTLSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1cnn(C)c1 ZINC000163588232 454856637 /nfs/dbraw/zinc/85/66/37/454856637.db2.gz KNLYRUHLGQEYQT-CQSZACIVSA-N 2 0 332.879 3.389 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000154297235 454882480 /nfs/dbraw/zinc/88/24/80/454882480.db2.gz HCSUADHBAFHNPP-HNNXBMFYSA-N 2 0 343.437 3.384 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCSC2)cc1OC ZINC000164914971 454890999 /nfs/dbraw/zinc/89/09/99/454890999.db2.gz UEAOAAIOISAJEB-INIZCTEOSA-N 2 0 338.517 3.011 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154470942 454899698 /nfs/dbraw/zinc/89/96/98/454899698.db2.gz KJDKUCKGJULLSV-SFHVURJKSA-N 2 0 329.532 3.244 20 0 EGADRP Cc1cc2oc(=O)cc(CN3CC[C@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000150841650 454900623 /nfs/dbraw/zinc/90/06/23/454900623.db2.gz FGVZOVAPCDTHNP-QGZVFWFLSA-N 2 0 340.467 3.328 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000165928771 454905433 /nfs/dbraw/zinc/90/54/33/454905433.db2.gz LBKJHDJDBFCGQA-GOEBONIOSA-N 2 0 326.481 3.309 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)c1ccccc1 ZINC000165991088 454906981 /nfs/dbraw/zinc/90/69/81/454906981.db2.gz QFMSBJWOWYSDJT-YXYSEUPNSA-N 2 0 347.547 3.014 20 0 EGADRP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000177890281 454916924 /nfs/dbraw/zinc/91/69/24/454916924.db2.gz WMNVCSLVSMSJRC-HLIPFELVSA-N 2 0 334.504 3.056 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000151103646 454938489 /nfs/dbraw/zinc/93/84/89/454938489.db2.gz CDWWSPJLXJZJOO-LSDHHAIUSA-N 2 0 329.488 3.299 20 0 EGADRP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000127248494 454948380 /nfs/dbraw/zinc/94/83/80/454948380.db2.gz JICYLRVDTICQHF-MOPGFXCFSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155037181 454956087 /nfs/dbraw/zinc/95/60/87/454956087.db2.gz BGVYJJMKSYZQGY-IAGOWNOFSA-N 2 0 335.561 3.474 20 0 EGADRP COc1ccc2cc([C@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)ccc2c1 ZINC000155118106 454965675 /nfs/dbraw/zinc/96/56/75/454965675.db2.gz XZWLNXJDURFZEO-IRXDYDNUSA-N 2 0 341.499 3.135 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000127453668 454966344 /nfs/dbraw/zinc/96/63/44/454966344.db2.gz MWGGHAHXGRRVQN-UHFFFAOYSA-N 2 0 330.520 3.295 20 0 EGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000178682812 454967649 /nfs/dbraw/zinc/96/76/49/454967649.db2.gz MWVSNKWWTNDWRM-IBGZPJMESA-N 2 0 338.499 3.224 20 0 EGADRP O[C@@H](CN[C@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCCC1 ZINC000151346737 454972476 /nfs/dbraw/zinc/97/24/76/454972476.db2.gz GWPOACDVLYPEJW-LRDDRELGSA-N 2 0 343.298 3.417 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127586034 454979525 /nfs/dbraw/zinc/97/95/25/454979525.db2.gz FKJOOLMXRJVKAN-MSOLQXFVSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336734 454988060 /nfs/dbraw/zinc/98/80/60/454988060.db2.gz LEOYXLUAGKQLLP-PWIZWCRZSA-N 2 0 343.515 3.157 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370106 454992473 /nfs/dbraw/zinc/99/24/73/454992473.db2.gz XOQPTQXJQNWYOJ-WQGACYEGSA-N 2 0 343.284 3.449 20 0 EGADRP COCc1cccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000179208077 455019778 /nfs/dbraw/zinc/01/97/78/455019778.db2.gz OXUXKQHEFSESEF-QZTJIDSGSA-N 2 0 346.515 3.154 20 0 EGADRP Brc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000128114001 455026734 /nfs/dbraw/zinc/02/67/34/455026734.db2.gz ZCOUMQSWDNKCGA-LSDHHAIUSA-N 2 0 339.277 3.044 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000155666648 455029332 /nfs/dbraw/zinc/02/93/32/455029332.db2.gz OTYOGRUYKVNOAZ-KDOFPFPSSA-N 2 0 325.447 3.032 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000155666752 455029380 /nfs/dbraw/zinc/02/93/80/455029380.db2.gz OTYOGRUYKVNOAZ-RDTXWAMCSA-N 2 0 325.447 3.032 20 0 EGADRP C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151856072 455040130 /nfs/dbraw/zinc/04/01/30/455040130.db2.gz YZAGSEKHAGRYGB-ROUUACIJSA-N 2 0 333.520 3.152 20 0 EGADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000152048287 455065823 /nfs/dbraw/zinc/06/58/23/455065823.db2.gz FBKFMNDMAWWWCO-PKOBYXMFSA-N 2 0 333.520 3.213 20 0 EGADRP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843483 455115396 /nfs/dbraw/zinc/11/53/96/455115396.db2.gz AXZVJQPAUFMSAA-LJQANCHMSA-N 2 0 339.483 3.434 20 0 EGADRP CCO[C@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000119029858 455121563 /nfs/dbraw/zinc/12/15/63/455121563.db2.gz CEQXIKLOXRKGBV-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000152458979 455122011 /nfs/dbraw/zinc/12/20/11/455122011.db2.gz MCPGBGIXBUUHFP-PXNSSMCTSA-N 2 0 346.515 3.063 20 0 EGADRP CCN(Cc1ccnn1CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100210 455131970 /nfs/dbraw/zinc/13/19/70/455131970.db2.gz GLTUSVGVDXKJBH-LJQANCHMSA-N 2 0 326.488 3.247 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189270712 455166353 /nfs/dbraw/zinc/16/63/53/455166353.db2.gz KTMLAMHHBWECMZ-WOJBJXKFSA-N 2 0 329.532 3.013 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000237351626 455176201 /nfs/dbraw/zinc/17/62/01/455176201.db2.gz JZQRZKTZKYGKNO-UZLBHIALSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157259082 455177542 /nfs/dbraw/zinc/17/75/42/455177542.db2.gz CEPOQINTSKMPHR-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237529966 455192024 /nfs/dbraw/zinc/19/20/24/455192024.db2.gz NQFFHCQCSUMTTI-LPHOPBHVSA-N 2 0 341.499 3.389 20 0 EGADRP C[C@@H]1CCC[C@@](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000237597502 455197193 /nfs/dbraw/zinc/19/71/93/455197193.db2.gz PTDDEOHZHGSHAC-YVWKXTFCSA-N 2 0 331.504 3.093 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237592131 455197655 /nfs/dbraw/zinc/19/76/55/455197655.db2.gz HVWBDGOEJZDSDX-LJQANCHMSA-N 2 0 347.528 3.015 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)o1 ZINC000606410876 460666097 /nfs/dbraw/zinc/66/60/97/460666097.db2.gz GHQWZPMEIIEDMC-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP Cc1noc(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237620214 455199751 /nfs/dbraw/zinc/19/97/51/455199751.db2.gz PTFRDRRJZDTZCG-GASCZTMLSA-N 2 0 343.471 3.190 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000157634220 455215694 /nfs/dbraw/zinc/21/56/94/455215694.db2.gz KRQMQENAJOABDA-LVCYWYKZSA-N 3 0 329.532 3.348 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000158456542 455304131 /nfs/dbraw/zinc/30/41/31/455304131.db2.gz FQZSYFJCJUHANN-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158579163 455313730 /nfs/dbraw/zinc/31/37/30/455313730.db2.gz PHTDLBFTNSHXSK-HZPDHXFCSA-N 2 0 331.495 3.064 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000159003620 455345077 /nfs/dbraw/zinc/34/50/77/455345077.db2.gz DNJSZCZPOJJRHU-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000159170211 455356977 /nfs/dbraw/zinc/35/69/77/455356977.db2.gz SQQNSEKBDQVAIO-QGZVFWFLSA-N 2 0 342.487 3.024 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC[N@@H+]1C ZINC000181596113 455359950 /nfs/dbraw/zinc/35/99/50/455359950.db2.gz NEVVVPLGVOHRKL-BBRMVZONSA-N 2 0 330.394 3.338 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000184241984 455365839 /nfs/dbraw/zinc/36/58/39/455365839.db2.gz FEJVLALRGLGQCE-MJGOQNOKSA-N 2 0 343.515 3.065 20 0 EGADRP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000181753757 455379484 /nfs/dbraw/zinc/37/94/84/455379484.db2.gz CAKFGWFIFVMBQS-PKOBYXMFSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1cncc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000184485993 455388413 /nfs/dbraw/zinc/38/84/13/455388413.db2.gz ALDAYYFXJPBEDL-LAUBAEHRSA-N 2 0 339.483 3.198 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+](C)C)cc1 ZINC000174452088 455392808 /nfs/dbraw/zinc/39/28/08/455392808.db2.gz NMOYWBJSVMWHJB-HXUWFJFHSA-N 2 0 345.531 3.088 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000190942788 455411334 /nfs/dbraw/zinc/41/13/34/455411334.db2.gz DLQLVLXAXNBGMI-FQEVSTJZSA-N 2 0 340.467 3.404 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000191476454 455488886 /nfs/dbraw/zinc/48/88/86/455488886.db2.gz WOGHTBFHZMSRKR-KRWDZBQOSA-N 2 0 348.535 3.243 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000191496852 455490852 /nfs/dbraw/zinc/49/08/52/455490852.db2.gz SGUWAZGUEYBUDE-FQEVSTJZSA-N 2 0 347.572 3.193 20 0 EGADRP c1ccc(COCCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000182430988 455512356 /nfs/dbraw/zinc/51/23/56/455512356.db2.gz ULBUZJKVAVKNBN-UHFFFAOYSA-N 2 0 346.515 3.170 20 0 EGADRP c1c[nH]c([C@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000267476378 455551661 /nfs/dbraw/zinc/55/16/61/455551661.db2.gz ZHAWNQKVWPWZJK-WOJBJXKFSA-N 2 0 342.487 3.333 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)[C@@H](C)C1 ZINC000247055996 455552706 /nfs/dbraw/zinc/55/27/06/455552706.db2.gz NMINDMZBJUNVNR-PXNSSMCTSA-N 2 0 346.515 3.063 20 0 EGADRP CCSc1cccc(C[NH2+]CCCC[NH+]2CCN(CC)CC2)c1 ZINC000185465712 455562375 /nfs/dbraw/zinc/56/23/75/455562375.db2.gz WGYVNXKOEIQIIQ-UHFFFAOYSA-N 2 0 335.561 3.306 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000247166974 455568187 /nfs/dbraw/zinc/56/81/87/455568187.db2.gz ULHWWBCSZSHVRS-JZXOWHBKSA-N 2 0 348.487 3.203 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000268110149 455592832 /nfs/dbraw/zinc/59/28/32/455592832.db2.gz MAFDZERYLWTGID-IBGZPJMESA-N 2 0 347.478 3.351 20 0 EGADRP CCOCCC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000271425880 455632552 /nfs/dbraw/zinc/63/25/52/455632552.db2.gz AAXUFTNRKWLXQA-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000247936671 455656597 /nfs/dbraw/zinc/65/65/97/455656597.db2.gz CPAUHDCVBZHLDN-PMACEKPBSA-N 2 0 336.495 3.219 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000271490163 455658073 /nfs/dbraw/zinc/65/80/73/455658073.db2.gz KFKLXQAJKUIWOB-FDFHNCONSA-N 2 0 342.527 3.365 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C2CC2)c1 ZINC000247962951 455661727 /nfs/dbraw/zinc/66/17/27/455661727.db2.gz GLYZDGUTSDPIJI-SFTDATJTSA-N 2 0 330.516 3.143 20 0 EGADRP O[C@H]([C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1)C(F)(F)F ZINC000277812174 455673822 /nfs/dbraw/zinc/67/38/22/455673822.db2.gz QGLGYFIMBXVBBL-GDBMZVCRSA-N 2 0 339.361 3.008 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc2c(c1)CCO2 ZINC000271578258 455690460 /nfs/dbraw/zinc/69/04/60/455690460.db2.gz ZUXYYVYVANQCBE-ZCNNSNEGSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000284527213 455701637 /nfs/dbraw/zinc/70/16/37/455701637.db2.gz UWOGKIGXXPTJND-MRXNPFEDSA-N 2 0 325.456 3.405 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2CC[NH+](C)CC2)c1 ZINC000268652059 455711672 /nfs/dbraw/zinc/71/16/72/455711672.db2.gz OXCDHWAVRCESLY-UHFFFAOYSA-N 2 0 345.531 3.267 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000268971114 455749092 /nfs/dbraw/zinc/74/90/92/455749092.db2.gz AIZCMVXQSJJKFM-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000278104099 455759394 /nfs/dbraw/zinc/75/93/94/455759394.db2.gz AIDIMOGYOZUFSV-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000269011602 455762595 /nfs/dbraw/zinc/76/25/95/455762595.db2.gz XPXHTNBTUXVCJX-QGZVFWFLSA-N 2 0 334.504 3.220 20 0 EGADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000271815587 455772469 /nfs/dbraw/zinc/77/24/69/455772469.db2.gz BNGANRLYTJCITM-ZCNNSNEGSA-N 2 0 326.484 3.330 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000269086276 455786879 /nfs/dbraw/zinc/78/68/79/455786879.db2.gz PMZHFUMIGGBHKC-IAGOWNOFSA-N 2 0 338.492 3.101 20 0 EGADRP CC(C)[C@@H](O)C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000271876094 455795822 /nfs/dbraw/zinc/79/58/22/455795822.db2.gz ODOQLGXGFGCZLV-HXUWFJFHSA-N 2 0 330.516 3.080 20 0 EGADRP CCC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000186585349 455798787 /nfs/dbraw/zinc/79/87/87/455798787.db2.gz JCWHOXULCTUYPL-YLJYHZDGSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000269216823 455814212 /nfs/dbraw/zinc/81/42/12/455814212.db2.gz PVKLEJISAGBBJV-FQEVSTJZSA-N 2 0 337.467 3.354 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000269248882 455821542 /nfs/dbraw/zinc/82/15/42/455821542.db2.gz NZRSSLGUFMUCBG-QZTJIDSGSA-N 2 0 329.488 3.171 20 0 EGADRP COc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)ccc1C ZINC000194273757 455822847 /nfs/dbraw/zinc/82/28/47/455822847.db2.gz WVVACYZEDCZANZ-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000252696224 455828952 /nfs/dbraw/zinc/82/89/52/455828952.db2.gz XOLVEYXOTWUOQE-SCTDSRPQSA-N 2 0 329.488 3.047 20 0 EGADRP Clc1ccsc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000194417618 455839012 /nfs/dbraw/zinc/83/90/12/455839012.db2.gz NQOGVQXMMOIBBS-UHFFFAOYSA-N 2 0 328.909 3.478 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187003903 455861470 /nfs/dbraw/zinc/86/14/70/455861470.db2.gz KFLIBLZVAURJDI-PKOBYXMFSA-N 2 0 347.572 3.456 20 0 EGADRP CC(C)CO[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000255696514 455872807 /nfs/dbraw/zinc/87/28/07/455872807.db2.gz FWMYYBYNFJGQAI-SBUVDCAVSA-N 2 0 338.536 3.036 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000261729131 455937407 /nfs/dbraw/zinc/93/74/07/455937407.db2.gz KSZXDHYDUGUBLQ-GSEOLPGOSA-N 2 0 343.515 3.015 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187710598 455942228 /nfs/dbraw/zinc/94/22/28/455942228.db2.gz ZSJRQHCUXOHYLG-NRFANRHFSA-N 2 0 329.532 3.453 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](COC)C2CCOCC2)cc1 ZINC000187713336 455943232 /nfs/dbraw/zinc/94/32/32/455943232.db2.gz LCDHTROEODUFFG-HXUWFJFHSA-N 2 0 334.504 3.060 20 0 EGADRP CCOc1cc(CN2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OC(F)F ZINC000261812903 455952065 /nfs/dbraw/zinc/95/20/65/455952065.db2.gz VUEIKWSCAUTIQZ-JSGCOSHPSA-N 2 0 328.403 3.246 20 0 EGADRP [NH3+]C1(c2noc(-c3ccc(C[NH+]4CCSCC4)cc3)n2)CCCC1 ZINC000261833342 455956239 /nfs/dbraw/zinc/95/62/39/455956239.db2.gz RKWJGDKOVQIRMJ-UHFFFAOYSA-N 2 0 344.484 3.013 20 0 EGADRP OC1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000285996620 455957562 /nfs/dbraw/zinc/95/75/62/455957562.db2.gz IKHSTHPLICVNFV-UHFFFAOYSA-N 2 0 336.907 3.445 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261850419 455959502 /nfs/dbraw/zinc/95/95/02/455959502.db2.gz VTBXDYUVBZRYJF-FXAWDEMLSA-N 2 0 343.515 3.052 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465924 455961545 /nfs/dbraw/zinc/96/15/45/455961545.db2.gz YBFOLVWIZNOLET-JLZZUVOBSA-N 2 0 343.298 3.443 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261928244 455973233 /nfs/dbraw/zinc/97/32/33/455973233.db2.gz ZOKIVUCRBSGCDJ-IBGZPJMESA-N 2 0 346.906 3.372 20 0 EGADRP Cc1ncc(CN(C)CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000286088438 455974620 /nfs/dbraw/zinc/97/46/20/455974620.db2.gz UBICNEIWIQBCOH-UHFFFAOYSA-N 2 0 344.528 3.096 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000272508984 455975181 /nfs/dbraw/zinc/97/51/81/455975181.db2.gz MIKZUGXESZCJRM-DYESRHJHSA-N 2 0 345.506 3.235 20 0 EGADRP CCOc1cc(CN(C)C[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000261956845 455977495 /nfs/dbraw/zinc/97/74/95/455977495.db2.gz XFFRNHGMBFULNG-AWEZNQCLSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000272514322 455977924 /nfs/dbraw/zinc/97/79/24/455977924.db2.gz GTAKECQCVSUDDD-QUCCMNQESA-N 2 0 329.532 3.361 20 0 EGADRP Cc1noc(C)c1CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272559486 455994201 /nfs/dbraw/zinc/99/42/01/455994201.db2.gz UGFKTQUEBDTLSS-BEFAXECRSA-N 2 0 327.472 3.334 20 0 EGADRP CC(C)n1ncc2cc(C[NH2+]CC3(C)CC[NH+](C)CC3)c(Cl)nc21 ZINC000272565777 455995123 /nfs/dbraw/zinc/99/51/23/455995123.db2.gz NXTOFPGUODTLRO-UHFFFAOYSA-N 2 0 349.910 3.487 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566248 455996429 /nfs/dbraw/zinc/99/64/29/455996429.db2.gz UUXXGLQKPYNSDL-NQIIRXRSSA-N 2 0 340.515 3.472 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272622747 456017155 /nfs/dbraw/zinc/01/71/55/456017155.db2.gz WMLDMADYPSRYQC-UHFFFAOYSA-N 2 0 344.478 3.450 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000262327407 456025683 /nfs/dbraw/zinc/02/56/83/456025683.db2.gz XGXSOXNQXOPPHV-YESZJQIVSA-N 2 0 349.544 3.155 20 0 EGADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272679696 456038084 /nfs/dbraw/zinc/03/80/84/456038084.db2.gz MSIKTZGLTJFNHN-JZTRKIHISA-N 2 0 330.516 3.284 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000262661290 456050992 /nfs/dbraw/zinc/05/09/92/456050992.db2.gz NSRIBGMGQFBODX-UYAOXDASSA-N 2 0 343.515 3.109 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)c1 ZINC000280811310 456057054 /nfs/dbraw/zinc/05/70/54/456057054.db2.gz IBMARAWFSMOIAG-ATZDWAIDSA-N 2 0 332.488 3.206 20 0 EGADRP CCC(CC)(CNC(=O)c1coc(C[NH3+])c1)[NH2+][C@H](C)c1ccccc1 ZINC000262803794 456060183 /nfs/dbraw/zinc/06/01/83/456060183.db2.gz RYRLFWINKHXVNS-OAHLLOKOSA-N 2 0 343.471 3.378 20 0 EGADRP Cc1c(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cnn1C ZINC000280929161 456085765 /nfs/dbraw/zinc/08/57/65/456085765.db2.gz GZUJNGGEOAEOAV-UHFFFAOYSA-N 2 0 326.488 3.261 20 0 EGADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272986044 456135895 /nfs/dbraw/zinc/13/58/95/456135895.db2.gz PMBLWVNEBJWDOC-LSDHHAIUSA-N 2 0 349.544 3.193 20 0 EGADRP c1n[nH]cc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000289866389 456161289 /nfs/dbraw/zinc/16/12/89/456161289.db2.gz RGCTYYXZSQJPLB-PWRODBHTSA-N 2 0 338.499 3.233 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)C2([NH3+])CCCCC2)c2cccs2)CC1 ZINC000236659163 456164335 /nfs/dbraw/zinc/16/43/35/456164335.db2.gz KMMRIRGVGZDGLM-MRXNPFEDSA-N 2 0 349.544 3.299 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000281209314 456164965 /nfs/dbraw/zinc/16/49/65/456164965.db2.gz CHGUYDRKODAKEB-UHFFFAOYSA-N 2 0 327.476 3.174 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000236663644 456165171 /nfs/dbraw/zinc/16/51/71/456165171.db2.gz BUTVDYOVAUQBKP-KRWDZBQOSA-N 2 0 345.531 3.169 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333173333 456172708 /nfs/dbraw/zinc/17/27/08/456172708.db2.gz QGHZEJSWFQIKSH-GDBMZVCRSA-N 2 0 337.533 3.159 20 0 EGADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000297299221 456177122 /nfs/dbraw/zinc/17/71/22/456177122.db2.gz BBCURIFFGCGIMQ-SFHVURJKSA-N 2 0 331.847 3.027 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273161797 456197009 /nfs/dbraw/zinc/19/70/09/456197009.db2.gz CITYGNZKUJMBCJ-ZHALLVOQSA-N 2 0 345.531 3.322 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000236928468 456201945 /nfs/dbraw/zinc/20/19/45/456201945.db2.gz ZEANKEHXRGDUBF-INIZCTEOSA-N 2 0 331.504 3.493 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000236922624 456202870 /nfs/dbraw/zinc/20/28/70/456202870.db2.gz MQINCUJZKFEBNM-XLIONFOSSA-N 2 0 345.531 3.170 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000236956040 456208461 /nfs/dbraw/zinc/20/84/61/456208461.db2.gz GNXNTDYHSDRDKE-LJQANCHMSA-N 2 0 327.516 3.270 20 0 EGADRP CCCc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000301800035 456218350 /nfs/dbraw/zinc/21/83/50/456218350.db2.gz RUZXPTVUIUBCIP-QGZVFWFLSA-N 2 0 339.483 3.346 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000237033775 456222547 /nfs/dbraw/zinc/22/25/47/456222547.db2.gz IBOIFAJKKVCWKD-NBVRZTHBSA-N 2 0 336.483 3.027 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)CC(C)(C)[NH3+])C1CCCCC1 ZINC000237151220 456239075 /nfs/dbraw/zinc/23/90/75/456239075.db2.gz PCMBXWAMXDKFPM-UHFFFAOYSA-N 2 0 331.504 3.195 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297560193 456252281 /nfs/dbraw/zinc/25/22/81/456252281.db2.gz QJTAEMYGTJNNNR-LJQANCHMSA-N 2 0 344.459 3.071 20 0 EGADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc12 ZINC000297597025 456259940 /nfs/dbraw/zinc/25/99/40/456259940.db2.gz UABWNZJEEBKJGP-KSEOMHKRSA-N 3 0 346.478 3.335 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000275656674 456279130 /nfs/dbraw/zinc/27/91/30/456279130.db2.gz DDRLXMVTCDQKBT-UHFFFAOYSA-N 2 0 347.547 3.099 20 0 EGADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000340172842 456289170 /nfs/dbraw/zinc/28/91/70/456289170.db2.gz WEKQRVURTSTDLB-IXDOHACOSA-N 2 0 334.504 3.199 20 0 EGADRP CC[NH+](CC)CCCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000347702057 456314404 /nfs/dbraw/zinc/31/44/04/456314404.db2.gz IRBNNVCSFMUJMY-UHFFFAOYSA-N 2 0 326.488 3.089 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000290395745 456314869 /nfs/dbraw/zinc/31/48/69/456314869.db2.gz JAXRKWVFMLWEJO-UHFFFAOYSA-N 2 0 327.407 3.243 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000347715418 456323763 /nfs/dbraw/zinc/32/37/63/456323763.db2.gz FKIXVEINLRECNL-GOSISDBHSA-N 2 0 340.556 3.059 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000290447322 456331943 /nfs/dbraw/zinc/33/19/43/456331943.db2.gz MDRRAYPJTJXTIK-QGZVFWFLSA-N 2 0 325.456 3.104 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000290542213 456359084 /nfs/dbraw/zinc/35/90/84/456359084.db2.gz RHGKAJJSIQFVQH-MJGOQNOKSA-N 2 0 332.488 3.148 20 0 EGADRP CCOCc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000290575894 456370252 /nfs/dbraw/zinc/37/02/52/456370252.db2.gz UDBMROJOQKTJSS-LJQANCHMSA-N 2 0 346.515 3.395 20 0 EGADRP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000298144475 456374311 /nfs/dbraw/zinc/37/43/11/456374311.db2.gz QZXXGPCDMVDYOE-RXVVDRJESA-N 2 0 327.516 3.067 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000340335005 456398176 /nfs/dbraw/zinc/39/81/76/456398176.db2.gz WSTVNDGZDSLBGA-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP Clc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000302830394 456413140 /nfs/dbraw/zinc/41/31/40/456413140.db2.gz YIKZGILEZNHPKH-UHFFFAOYSA-N 2 0 349.931 3.309 20 0 EGADRP c1cc(C[NH+]2CCSCC2)cc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000298540036 456485180 /nfs/dbraw/zinc/48/51/80/456485180.db2.gz SWDBVIKRWLAHJD-UHFFFAOYSA-N 2 0 331.529 3.274 20 0 EGADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000298402088 456446721 /nfs/dbraw/zinc/44/67/21/456446721.db2.gz KCCVGYYVUQGXRC-MRXNPFEDSA-N 2 0 339.483 3.029 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)c1sccc1C[NH+](C)C ZINC000276370057 456460173 /nfs/dbraw/zinc/46/01/73/456460173.db2.gz BQMDWKUADMDNRU-UHFFFAOYSA-N 2 0 325.522 3.004 20 0 EGADRP COCC1(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CCC1 ZINC000340443211 456465414 /nfs/dbraw/zinc/46/54/14/456465414.db2.gz DVYFKJMLXSRDPH-IEBWSBKVSA-N 2 0 331.504 3.088 20 0 EGADRP O=C1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2cc(F)ccc2N1 ZINC000340478074 456484308 /nfs/dbraw/zinc/48/43/08/456484308.db2.gz ZQOFAMRCJWHDTK-QGZVFWFLSA-N 2 0 333.451 3.455 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000340476053 456482874 /nfs/dbraw/zinc/48/28/74/456482874.db2.gz GPGGZDCOGBFIKV-GPJFCIFZSA-N 2 0 327.516 3.256 20 0 EGADRP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000340494226 456492510 /nfs/dbraw/zinc/49/25/10/456492510.db2.gz CULKWAHOZCDZFM-QZTJIDSGSA-N 2 0 345.531 3.265 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000291106623 456530293 /nfs/dbraw/zinc/53/02/93/456530293.db2.gz BNDJMYONFPILGS-INIZCTEOSA-N 2 0 344.503 3.131 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657897956 462310761 /nfs/dbraw/zinc/31/07/61/462310761.db2.gz JSYRDJZECIGEOC-SFHVURJKSA-N 2 0 337.939 3.277 20 0 EGADRP COc1cc2[nH+]ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1OC ZINC000298850150 456553862 /nfs/dbraw/zinc/55/38/62/456553862.db2.gz IYBKUIJUQNQVFM-AGUYFDCRSA-N 2 0 327.428 3.289 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189146 456558832 /nfs/dbraw/zinc/55/88/32/456558832.db2.gz OYDKWOIQMWIDGO-YOEHRIQHSA-N 2 0 344.421 3.403 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000340600116 456561321 /nfs/dbraw/zinc/56/13/21/456561321.db2.gz JAUGWQDKNKLZRJ-HNNXBMFYSA-N 2 0 335.467 3.207 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298887965 456562650 /nfs/dbraw/zinc/56/26/50/456562650.db2.gz KXDKXNKZOBZKTB-JKSUJKDBSA-N 2 0 347.478 3.397 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]CC3(C[NH+](C)C)CCCC3)s2)cn1 ZINC000337840868 456570267 /nfs/dbraw/zinc/57/02/67/456570267.db2.gz ZJTGVDIENIZFNZ-UHFFFAOYSA-N 2 0 332.517 3.360 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000310056474 456578719 /nfs/dbraw/zinc/57/87/19/456578719.db2.gz LQIQPQBPDWOCHR-VYDXJSESSA-N 2 0 339.524 3.094 20 0 EGADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000316768118 456615237 /nfs/dbraw/zinc/61/52/37/456615237.db2.gz DMOSZRNEJHEROQ-BXUZGUMPSA-N 2 0 344.286 3.381 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000343439959 456623208 /nfs/dbraw/zinc/62/32/08/456623208.db2.gz GMIFWZZLGNMXNH-AQNXPRMDSA-N 2 0 344.547 3.032 20 0 EGADRP Cn1cc(-c2ccc(C[NH+]3CCC(CC[NH+](C)C)CC3)s2)cn1 ZINC000282789513 456626665 /nfs/dbraw/zinc/62/66/65/456626665.db2.gz LUDCOSOSHNGVGL-UHFFFAOYSA-N 2 0 332.517 3.312 20 0 EGADRP COc1ccc(C[NH2+]CCCC[NH+](C)C)cc1OCc1cccnc1 ZINC000299323510 456656726 /nfs/dbraw/zinc/65/67/26/456656726.db2.gz IVWSGPJFHIAGFX-UHFFFAOYSA-N 2 0 343.471 3.101 20 0 EGADRP Clc1cccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)c1 ZINC000324022188 456660746 /nfs/dbraw/zinc/66/07/46/456660746.db2.gz QHCBNUCJKRJMGP-GASCZTMLSA-N 2 0 331.847 3.426 20 0 EGADRP COc1ccc(Br)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353395113 456672517 /nfs/dbraw/zinc/67/25/17/456672517.db2.gz OMGCNRNOJINHTR-UHFFFAOYSA-N 2 0 341.293 3.420 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338195088 456697768 /nfs/dbraw/zinc/69/77/68/456697768.db2.gz MUUBTSFTTLZBNF-NRFANRHFSA-N 2 0 338.499 3.472 20 0 EGADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353465398 456701208 /nfs/dbraw/zinc/70/12/08/456701208.db2.gz UDBZPLVVTFCLAS-KSZLIROESA-N 2 0 341.503 3.286 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277217654 456729443 /nfs/dbraw/zinc/72/94/43/456729443.db2.gz XGEPIEBJNAUVSA-RTWAWAEBSA-N 2 0 348.506 3.363 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000353517619 456729828 /nfs/dbraw/zinc/72/98/28/456729828.db2.gz JGFCGXQQVDHJTM-UHFFFAOYSA-N 2 0 345.512 3.353 20 0 EGADRP COCC1(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000291712491 456730321 /nfs/dbraw/zinc/73/03/21/456730321.db2.gz LORPUGRNZDSPEY-QUCCMNQESA-N 2 0 346.515 3.072 20 0 EGADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353549001 456751821 /nfs/dbraw/zinc/75/18/21/456751821.db2.gz CZEIQWFVSDFZBQ-SFTDATJTSA-N 2 0 346.490 3.444 20 0 EGADRP CC(C)[C@H](NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277280996 456757477 /nfs/dbraw/zinc/75/74/77/456757477.db2.gz SJNMVDLHMXXGTH-QUCCMNQESA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](c1ccc(F)cc1F)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343771665 456772530 /nfs/dbraw/zinc/77/25/30/456772530.db2.gz RGGBMGAIEPYELD-LSDHHAIUSA-N 2 0 337.458 3.126 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CCOc2ccccc2C(C)=O)CC1 ZINC000338404394 456800412 /nfs/dbraw/zinc/80/04/12/456800412.db2.gz FGKFNUOUFMNNBS-UHFFFAOYSA-N 2 0 332.488 3.322 20 0 EGADRP COc1ncc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000353641679 456824345 /nfs/dbraw/zinc/82/43/45/456824345.db2.gz JORVYBPMRCMEOS-LBPRGKRZSA-N 2 0 343.924 3.222 20 0 EGADRP CC[N@@H+]1CC[C@H](N[C@H](CC[NH+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155694 456945785 /nfs/dbraw/zinc/94/57/85/456945785.db2.gz CTFJDFGVRLDDJY-SESVDKBCSA-N 2 0 347.547 3.016 20 0 EGADRP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000339187428 456982762 /nfs/dbraw/zinc/98/27/62/456982762.db2.gz MKDRXEMJYAGIEK-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000345689589 456987788 /nfs/dbraw/zinc/98/77/88/456987788.db2.gz JHXIXWVHBJXNRI-WOJBJXKFSA-N 2 0 345.531 3.134 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C(C)C)nc1C ZINC000339202192 456989617 /nfs/dbraw/zinc/98/96/17/456989617.db2.gz HSVPWMLGIDRLRO-UHFFFAOYSA-N 2 0 346.563 3.363 20 0 EGADRP Cc1cc(Cl)cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000339212144 456994042 /nfs/dbraw/zinc/99/40/42/456994042.db2.gz AUALJULWNIIMMI-UHFFFAOYSA-N 2 0 335.923 3.297 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000354034637 457024323 /nfs/dbraw/zinc/02/43/23/457024323.db2.gz TUOOEBNEWBFCNN-UHFFFAOYSA-N 2 0 329.488 3.491 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccsc2S1 ZINC000358925422 457037612 /nfs/dbraw/zinc/03/76/12/457037612.db2.gz CPHQHLMJOAXUSG-CJNGLKHVSA-N 2 0 339.574 3.289 20 0 EGADRP CC(C)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[NH+]1CCC(C)CC1 ZINC000354067987 457041367 /nfs/dbraw/zinc/04/13/67/457041367.db2.gz JGULZMDOOIJIBD-LKXUXUIPSA-N 2 0 349.563 3.013 20 0 EGADRP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356535230 457041886 /nfs/dbraw/zinc/04/18/86/457041886.db2.gz XCKCDEHLWZPUKO-MOPGFXCFSA-N 2 0 337.467 3.050 20 0 EGADRP COc1cc(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000346593365 457065043 /nfs/dbraw/zinc/06/50/43/457065043.db2.gz BMDICCAFLOIPEC-IAGOWNOFSA-N 2 0 339.483 3.336 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356594334 457073561 /nfs/dbraw/zinc/07/35/61/457073561.db2.gz IBRMIJMFZMKFPH-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000346608222 457075511 /nfs/dbraw/zinc/07/55/11/457075511.db2.gz CNTSWDSTOULYME-HZPDHXFCSA-N 2 0 342.487 3.014 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]21 ZINC000342076565 457094644 /nfs/dbraw/zinc/09/46/44/457094644.db2.gz AIZTZAJBBLVHOH-VNQPRFMTSA-N 2 0 328.378 3.187 20 0 EGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426534 457110633 /nfs/dbraw/zinc/11/06/33/457110633.db2.gz NULZWIKZCBYUQS-VXKWHMMOSA-N 2 0 338.495 3.161 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(OC(F)(F)F)cc3)C[C@@H]21 ZINC000342140138 457131059 /nfs/dbraw/zinc/13/10/59/457131059.db2.gz NWXWWUDIVMZYQA-VBNZEHGJSA-N 2 0 344.377 3.023 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000362872231 457135545 /nfs/dbraw/zinc/13/55/45/457135545.db2.gz POGMELGPEMQWLL-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359925073 457151329 /nfs/dbraw/zinc/15/13/29/457151329.db2.gz KRQMQENAJOABDA-OPYAIIAOSA-N 3 0 329.532 3.348 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C[C@@H](C)O1 ZINC000362922836 457157939 /nfs/dbraw/zinc/15/79/39/457157939.db2.gz GRURERGKWMQZLC-HUUCEWRRSA-N 2 0 333.451 3.286 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCn1c2ccccc2nc1C1CC1 ZINC000356780440 457164549 /nfs/dbraw/zinc/16/45/49/457164549.db2.gz OVHLHOKFXCXGFL-OAHLLOKOSA-N 2 0 342.487 3.149 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000354287317 457174626 /nfs/dbraw/zinc/17/46/26/457174626.db2.gz ZQYGHWYYFDYCQG-UYAOXDASSA-N 2 0 343.515 3.030 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)CC3 ZINC000346808341 457177741 /nfs/dbraw/zinc/17/77/41/457177741.db2.gz NQYTXADSRLNQGP-IYOUNJFTSA-N 2 0 327.472 3.106 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346851409 457184431 /nfs/dbraw/zinc/18/44/31/457184431.db2.gz JQMIWLBIIBLKRO-KYNGSXCRSA-N 2 0 344.890 3.393 20 0 EGADRP c1cn2c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c(C3CC3)nc2s1 ZINC000347078492 457220196 /nfs/dbraw/zinc/22/01/96/457220196.db2.gz VUJDLTAWJNUOIR-OAHLLOKOSA-N 2 0 330.501 3.237 20 0 EGADRP COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC(F)F)c1 ZINC000347106759 457231838 /nfs/dbraw/zinc/23/18/38/457231838.db2.gz NNYFVBXCKAGSNL-PBWFPOADSA-N 2 0 326.387 3.011 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000347106735 457232205 /nfs/dbraw/zinc/23/22/05/457232205.db2.gz NNPBAARVFULJMK-UHFFFAOYSA-N 2 0 330.451 3.060 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000347129920 457245911 /nfs/dbraw/zinc/24/59/11/457245911.db2.gz QEFXBFNDBQMQIH-MRXNPFEDSA-N 2 0 325.456 3.220 20 0 EGADRP Cc1ccccc1C[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342426672 457297272 /nfs/dbraw/zinc/29/72/72/457297272.db2.gz FBENCNIEUKRUKM-KRWDZBQOSA-N 2 0 327.472 3.051 20 0 EGADRP c1nc(-c2ccncc2)sc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357056247 457301770 /nfs/dbraw/zinc/30/17/70/457301770.db2.gz SLEQBIOPGXMKRG-INIZCTEOSA-N 2 0 328.485 3.027 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC000357057125 457302639 /nfs/dbraw/zinc/30/26/39/457302639.db2.gz IMYVTGWRMBJFQO-SFHVURJKSA-N 2 0 337.552 3.218 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1coc2ccccc12 ZINC000342435234 457303024 /nfs/dbraw/zinc/30/30/24/457303024.db2.gz WVHWCKRYXZXJPW-UHFFFAOYSA-N 2 0 339.439 3.448 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357077671 457310915 /nfs/dbraw/zinc/31/09/15/457310915.db2.gz KUXWOLGUUAICSU-GOEBONIOSA-N 2 0 347.528 3.057 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(OC)ccn2)CC1)CC1CC1 ZINC000357086536 457314694 /nfs/dbraw/zinc/31/46/94/457314694.db2.gz OUJZIYBSULMCME-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCCOC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000354898320 457327989 /nfs/dbraw/zinc/32/79/89/457327989.db2.gz SNZIROQAKBMBLC-QZTJIDSGSA-N 2 0 340.552 3.403 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320036 457351362 /nfs/dbraw/zinc/35/13/62/457351362.db2.gz PKPFAOUVXANCLD-ZMWHVPEISA-N 2 0 327.516 3.112 20 0 EGADRP COCCSCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352440514 457368599 /nfs/dbraw/zinc/36/85/99/457368599.db2.gz OVHCIBFZRXGBEW-UXHICEINSA-N 2 0 348.556 3.210 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379674387 457417824 /nfs/dbraw/zinc/41/78/24/457417824.db2.gz UGRLTJVDIJIJHU-YZGWKJHDSA-N 2 0 345.531 3.167 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000360964492 457471690 /nfs/dbraw/zinc/47/16/90/457471690.db2.gz SJOITFNLJXFWFW-QFBILLFUSA-N 2 0 349.519 3.110 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000342753060 457499364 /nfs/dbraw/zinc/49/93/64/457499364.db2.gz OXZHPXZJDUUMOY-XLIONFOSSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000357434650 457523178 /nfs/dbraw/zinc/52/31/78/457523178.db2.gz CDUNECJHFBXSLS-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000342806368 457537259 /nfs/dbraw/zinc/53/72/59/457537259.db2.gz QARIIYRDXFZCLP-XLIONFOSSA-N 2 0 332.488 3.064 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000425412797 457540276 /nfs/dbraw/zinc/54/02/76/457540276.db2.gz CDUQVKDGOXJIRY-WDSOQIARSA-N 2 0 332.488 3.138 20 0 EGADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCC(C)(C)[NH3+] ZINC000404515205 457543791 /nfs/dbraw/zinc/54/37/91/457543791.db2.gz SBFITKPFIPGENC-GVDBMIGSSA-N 2 0 331.504 3.014 20 0 EGADRP COC(=O)[C@@H](CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422880 457547663 /nfs/dbraw/zinc/54/76/63/457547663.db2.gz SUVXTEOMZXYBHU-UXHICEINSA-N 2 0 344.499 3.284 20 0 EGADRP COC(=O)[C@@H](CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422878 457547913 /nfs/dbraw/zinc/54/79/13/457547913.db2.gz SUVXTEOMZXYBHU-PMACEKPBSA-N 2 0 344.499 3.284 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](OC)C2CC2)CC1 ZINC000425465107 457564842 /nfs/dbraw/zinc/56/48/42/457564842.db2.gz ZDGVTRBPEAANOA-MGPUTAFESA-N 2 0 349.494 3.043 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000408506231 457572001 /nfs/dbraw/zinc/57/20/01/457572001.db2.gz FGRRYUWUEIDIEI-GPMSIDNRSA-N 2 0 339.524 3.096 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000352748450 457579221 /nfs/dbraw/zinc/57/92/21/457579221.db2.gz IPQAIWKKJLCXSS-UHFFFAOYSA-N 2 0 339.483 3.408 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000374327840 457587800 /nfs/dbraw/zinc/58/78/00/457587800.db2.gz RSIKJYADAYALKF-FQEVSTJZSA-N 2 0 347.572 3.193 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cnc2ccsc2c1 ZINC000370634350 457687233 /nfs/dbraw/zinc/68/72/33/457687233.db2.gz LCMROXLNRCHPKL-HOCLYGCPSA-N 2 0 344.528 3.115 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370632664 457687399 /nfs/dbraw/zinc/68/73/99/457687399.db2.gz CUWRSIBSQWXITP-IFMALSPDSA-N 2 0 343.559 3.402 20 0 EGADRP Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000357792319 457691627 /nfs/dbraw/zinc/69/16/27/457691627.db2.gz KAOLJPSHBNBNMA-KXBFYZLASA-N 2 0 327.472 3.477 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC1)C2 ZINC000370671101 457696131 /nfs/dbraw/zinc/69/61/31/457696131.db2.gz MFMCVDIVJRLVLH-UIAACRFSSA-N 2 0 342.531 3.275 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H](C)C1 ZINC000370678582 457698592 /nfs/dbraw/zinc/69/85/92/457698592.db2.gz COUXISZHEXOBDB-DOXZYTNZSA-N 2 0 337.458 3.111 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000357842532 457708785 /nfs/dbraw/zinc/70/87/85/457708785.db2.gz BLOXMPUNVQNHGI-VNHYZAJKSA-N 2 0 345.409 3.188 20 0 EGADRP CC(C)(C[NH2+]C1CCN(CCC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000361442292 457733754 /nfs/dbraw/zinc/73/37/54/457733754.db2.gz GGOCFUAXEAIYSC-UHFFFAOYSA-N 2 0 335.458 3.115 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000358026088 457743959 /nfs/dbraw/zinc/74/39/59/457743959.db2.gz MMEJVULTCPNKHS-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCC1 ZINC000361480676 457745565 /nfs/dbraw/zinc/74/55/65/457745565.db2.gz DSBBFBCFOLKASD-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP COc1cccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000365356310 457748106 /nfs/dbraw/zinc/74/81/06/457748106.db2.gz HAYJPFRPDQMXKP-GOSISDBHSA-N 2 0 325.456 3.092 20 0 EGADRP COCCN1CCC([NH2+]CC2(c3ccc(C)c(C)c3)CCC2)CC1 ZINC000433086559 457755176 /nfs/dbraw/zinc/75/51/76/457755176.db2.gz ZUIMBJBTXHCGNT-UHFFFAOYSA-N 2 0 330.516 3.426 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358054902 457757005 /nfs/dbraw/zinc/75/70/05/457757005.db2.gz AKMHEWVVLOVKBS-ILZDJORESA-N 2 0 345.531 3.282 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000433153893 457766152 /nfs/dbraw/zinc/76/61/52/457766152.db2.gz RDKZOQYMEBILIJ-IBGZPJMESA-N 2 0 347.478 3.083 20 0 EGADRP CCn1cccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c1=O ZINC000433197608 457776337 /nfs/dbraw/zinc/77/63/37/457776337.db2.gz BKDOFGXKIUWVRW-UHFFFAOYSA-N 2 0 341.499 3.116 20 0 EGADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605267 457786085 /nfs/dbraw/zinc/78/60/85/457786085.db2.gz NGQIKZLBKNGXJO-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358111818 457792325 /nfs/dbraw/zinc/79/23/25/457792325.db2.gz NCWSTWYHLQVGLA-ABSDTBQOSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)C[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411122722 457807677 /nfs/dbraw/zinc/80/76/77/457807677.db2.gz BBNQTXUNMDBFCV-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000443973135 457831228 /nfs/dbraw/zinc/83/12/28/457831228.db2.gz ZGTSUKXYFFXPKN-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000411220499 457833191 /nfs/dbraw/zinc/83/31/91/457833191.db2.gz LUFKPQNVIYSGTK-VQTJNVASSA-N 2 0 332.463 3.116 20 0 EGADRP CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411230557 457836023 /nfs/dbraw/zinc/83/60/23/457836023.db2.gz YWJIGICIIDIXNY-FQEVSTJZSA-N 2 0 343.515 3.163 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000444134191 457858225 /nfs/dbraw/zinc/85/82/25/457858225.db2.gz BCIGOFYXZGFENC-UHFFFAOYSA-N 2 0 335.467 3.269 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CCOCC5)[C@H]3C2)cc1 ZINC000433776113 457883704 /nfs/dbraw/zinc/88/37/04/457883704.db2.gz XCBRIEGBCRLNJE-WOZUAGRISA-N 2 0 340.511 3.303 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCO[C@@H]1CCCCO1 ZINC000366982852 457916080 /nfs/dbraw/zinc/91/60/80/457916080.db2.gz PKRKDYIQEWRVIW-HLAWJBBLSA-N 2 0 346.515 3.420 20 0 EGADRP C[C@@H]1CC[S@](=O)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411640171 457937166 /nfs/dbraw/zinc/93/71/66/457937166.db2.gz VEZYYIFRNMMYLS-HXOBKFHXSA-N 2 0 334.529 3.015 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427067023 457940556 /nfs/dbraw/zinc/94/05/56/457940556.db2.gz KPFQGDGLCFSTIF-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP COC(=O)c1coc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000375663252 458010169 /nfs/dbraw/zinc/01/01/69/458010169.db2.gz JFAQIVIRZGRFLD-RDJZCZTQSA-N 2 0 342.439 3.239 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503867 458042924 /nfs/dbraw/zinc/04/29/24/458042924.db2.gz HDUZJLQHPVDJNI-MJGOQNOKSA-N 2 0 343.515 3.108 20 0 EGADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc2ccccc21 ZINC000358505605 458044470 /nfs/dbraw/zinc/04/44/70/458044470.db2.gz KMOIYWXCPFUXTO-UHFFFAOYSA-N 2 0 337.467 3.244 20 0 EGADRP O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]2C1 ZINC000412044936 458063110 /nfs/dbraw/zinc/06/31/10/458063110.db2.gz MFUCXVMBKAKNHT-PWRODBHTSA-N 2 0 328.500 3.265 20 0 EGADRP C[NH2+]C[C@@H]1CCCN1Cc1ccc(OCc2csc(C)n2)cc1 ZINC000435368319 458121179 /nfs/dbraw/zinc/12/11/79/458121179.db2.gz APBHEVZZVPWTTI-KRWDZBQOSA-N 2 0 331.485 3.214 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cc2)cs1 ZINC000435370533 458122625 /nfs/dbraw/zinc/12/26/25/458122625.db2.gz JFKMESWJSMOTRJ-BBRMVZONSA-N 2 0 331.485 3.200 20 0 EGADRP C[C@@H]1CN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000435378986 458129124 /nfs/dbraw/zinc/12/91/24/458129124.db2.gz HHCZDPDZBCIDER-KBRIMQKVSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435385123 458132094 /nfs/dbraw/zinc/13/20/94/458132094.db2.gz PWGJMCBEAPFQIA-HXUWFJFHSA-N 3 0 346.563 3.022 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]21 ZINC000435384900 458132930 /nfs/dbraw/zinc/13/29/30/458132930.db2.gz OTAVXNWYKJAZHT-YZGWKJHDSA-N 2 0 337.467 3.220 20 0 EGADRP Cc1nc(C)c(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000435391378 458134014 /nfs/dbraw/zinc/13/40/14/458134014.db2.gz SFIJMNJBDYVXHN-QGZVFWFLSA-N 2 0 330.501 3.299 20 0 EGADRP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435388806 458134804 /nfs/dbraw/zinc/13/48/04/458134804.db2.gz ITGMEQJFSITNAQ-UHFFFAOYSA-N 2 0 339.483 3.461 20 0 EGADRP CC[N@H+](Cc1cc(OC)c(OC)cc1SC)[C@H]1CCC[NH2+]CC1 ZINC000435393077 458136099 /nfs/dbraw/zinc/13/60/99/458136099.db2.gz YSKHTFMSHPKEIF-HNNXBMFYSA-N 2 0 338.517 3.390 20 0 EGADRP CC[C@@H]1C[C@H](C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)CCO1 ZINC000435441029 458148336 /nfs/dbraw/zinc/14/83/36/458148336.db2.gz CHVMTOICZSCTSA-BRWVUGGUSA-N 2 0 337.533 3.068 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(C(F)F)CC2)CC1 ZINC000358686284 458150811 /nfs/dbraw/zinc/15/08/11/458150811.db2.gz HKMFDRTUBNIEOR-UHFFFAOYSA-N 2 0 343.849 3.227 20 0 EGADRP Cn1ccnc1CN(C(=O)CCCC(C)(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435570914 458163170 /nfs/dbraw/zinc/16/31/70/458163170.db2.gz ZBHCNWHXYNHNOD-MRXNPFEDSA-N 2 0 346.519 3.107 20 0 EGADRP C[C@H](NC(=O)CN(C)[C@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626372 458175725 /nfs/dbraw/zinc/17/57/25/458175725.db2.gz ODVIHWXUJRYCHR-WMZOPIPTSA-N 2 0 339.483 3.091 20 0 EGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412389880 458188931 /nfs/dbraw/zinc/18/89/31/458188931.db2.gz ARAIMLXQCXPDLB-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP CCc1ccccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000372903614 458344309 /nfs/dbraw/zinc/34/43/09/458344309.db2.gz ZYIALALDCLUFBK-UHFFFAOYSA-N 2 0 329.532 3.239 20 0 EGADRP C[C@H]([NH3+])c1ccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)cc1 ZINC000429561241 458344861 /nfs/dbraw/zinc/34/48/61/458344861.db2.gz PZMOFHDWAARTNW-AWEZNQCLSA-N 2 0 336.439 3.262 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000429621810 458353876 /nfs/dbraw/zinc/35/38/76/458353876.db2.gz VLVAWGVEGXMHNY-LJQANCHMSA-N 2 0 333.520 3.364 20 0 EGADRP O[C@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)N(Cc2ccccc2)C1 ZINC000459451677 458376562 /nfs/dbraw/zinc/37/65/62/458376562.db2.gz LNPGFKXGKSUXQD-UXHICEINSA-N 2 0 344.886 3.108 20 0 EGADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423438779 458433566 /nfs/dbraw/zinc/43/35/66/458433566.db2.gz NFSARMJWZBOUGI-QRKUABHPSA-N 2 0 332.463 3.271 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000423442611 458433713 /nfs/dbraw/zinc/43/37/13/458433713.db2.gz ZHRPHNYBISDYSI-IRXDYDNUSA-N 2 0 339.483 3.347 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H]2CCC[C@H]21 ZINC000423452539 458435193 /nfs/dbraw/zinc/43/51/93/458435193.db2.gz ZAEGOCCDUWRHTD-BZZMCLGOSA-N 2 0 329.488 3.333 20 0 EGADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ncc(Br)cc1F ZINC000423476721 458438506 /nfs/dbraw/zinc/43/85/06/458438506.db2.gz JLUMASZWHQVSFF-PWSUYJOCSA-N 2 0 330.245 3.166 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423493630 458443620 /nfs/dbraw/zinc/44/36/20/458443620.db2.gz QKSPLDSPHAHYOE-PVAVHDDUSA-N 2 0 342.405 3.310 20 0 EGADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000423494593 458443853 /nfs/dbraw/zinc/44/38/53/458443853.db2.gz AZOKUKXRLVASRJ-DNVCBOLYSA-N 2 0 346.496 3.221 20 0 EGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423522787 458451360 /nfs/dbraw/zinc/45/13/60/458451360.db2.gz RSWPPNMAYZSNHC-CABCVRRESA-N 2 0 328.909 3.179 20 0 EGADRP NC1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000423530018 458452357 /nfs/dbraw/zinc/45/23/57/458452357.db2.gz QWUGDHKNSKZPLH-UXHICEINSA-N 2 0 347.522 3.488 20 0 EGADRP NC1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000423530017 458452385 /nfs/dbraw/zinc/45/23/85/458452385.db2.gz QWUGDHKNSKZPLH-PMACEKPBSA-N 2 0 347.522 3.488 20 0 EGADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C2CC3CC(C2)CC1C3 ZINC000423532172 458453678 /nfs/dbraw/zinc/45/36/78/458453678.db2.gz UYUHHHOQDTVBSH-SCRVJLSZSA-N 2 0 330.516 3.077 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000423541792 458454785 /nfs/dbraw/zinc/45/47/85/458454785.db2.gz ACADIFOQHCGGST-CEWLAPEOSA-N 2 0 327.516 3.019 20 0 EGADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423553457 458456865 /nfs/dbraw/zinc/45/68/65/458456865.db2.gz GXSPBNUVYMDJGN-PKOBYXMFSA-N 2 0 329.532 3.394 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459726046 458458550 /nfs/dbraw/zinc/45/85/50/458458550.db2.gz BFFYXRPNHPSEMF-FUHWJXTLSA-N 2 0 334.504 3.346 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(C[NH2+]C)cc1)[N@H+](C)Cc1ccccc1 ZINC000423706128 458474856 /nfs/dbraw/zinc/47/48/56/458474856.db2.gz MCMRSFXPHBLQNW-IBGZPJMESA-N 2 0 325.456 3.255 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000459780948 458477924 /nfs/dbraw/zinc/47/79/24/458477924.db2.gz MAQZTJQINMNTLI-GIVPXCGWSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459798432 458481457 /nfs/dbraw/zinc/48/14/57/458481457.db2.gz XUOFEYMZAHEIPX-GJZGRUSLSA-N 2 0 337.895 3.379 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423768126 458481660 /nfs/dbraw/zinc/48/16/60/458481660.db2.gz DXCNVKRFJQTZPQ-IEBWSBKVSA-N 2 0 329.488 3.171 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423788983 458484630 /nfs/dbraw/zinc/48/46/30/458484630.db2.gz DWYZHENBJSIRFP-HXUWFJFHSA-N 2 0 349.563 3.399 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437859101 458503396 /nfs/dbraw/zinc/50/33/96/458503396.db2.gz NCYGDRKYTXRWMO-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000437878893 458506585 /nfs/dbraw/zinc/50/65/85/458506585.db2.gz RGNYTRQTSVMUCW-WOJBJXKFSA-N 2 0 347.547 3.307 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430934463 458507435 /nfs/dbraw/zinc/50/74/35/458507435.db2.gz OYNODQRFALQWJI-HZPDHXFCSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000431063234 458523401 /nfs/dbraw/zinc/52/34/01/458523401.db2.gz YVILCOKMNVYUQP-MDNKFWRPSA-N 2 0 343.515 3.236 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000438095536 458532256 /nfs/dbraw/zinc/53/22/56/458532256.db2.gz HEYJAHJOIOQOPV-FQEVSTJZSA-N 2 0 341.499 3.476 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424145407 458570322 /nfs/dbraw/zinc/57/03/22/458570322.db2.gz NMFUNEXKBLYLES-RTBURBONSA-N 2 0 337.552 3.255 20 0 EGADRP Cn1c2cc(F)ccc2nc1N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000431431876 458572614 /nfs/dbraw/zinc/57/26/14/458572614.db2.gz PPPBTPVZLCKKFN-QGZVFWFLSA-N 2 0 338.430 3.076 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccn(-c3c(F)cccc3F)n1)CC[NH2+]CC2 ZINC000424300587 458609394 /nfs/dbraw/zinc/60/93/94/458609394.db2.gz WVNZLJGEIYHXPF-AWEZNQCLSA-N 2 0 346.425 3.115 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424329970 458617836 /nfs/dbraw/zinc/61/78/36/458617836.db2.gz REEQAQQEJHAQGK-HRCADAONSA-N 2 0 326.525 3.453 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(Cl)c1 ZINC000424348665 458624021 /nfs/dbraw/zinc/62/40/21/458624021.db2.gz MAZIRRZKFNDMRL-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(-c3cnn(C)c3)s1)CC[NH2+]CC2 ZINC000424371199 458628291 /nfs/dbraw/zinc/62/82/91/458628291.db2.gz DBNIZWXYWCXMJG-CQSZACIVSA-N 2 0 330.501 3.113 20 0 EGADRP CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000462680034 458641346 /nfs/dbraw/zinc/64/13/46/458641346.db2.gz IPRCAKHDMUCPMS-RXVVDRJESA-N 2 0 329.532 3.492 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439464050 458706644 /nfs/dbraw/zinc/70/66/44/458706644.db2.gz CQWZSUZJTZQURN-ABSDTBQOSA-N 2 0 336.520 3.305 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000530211683 458718113 /nfs/dbraw/zinc/71/81/13/458718113.db2.gz NXWYUSJIMFVMFQ-DLBZAZTESA-N 2 0 332.492 3.252 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)n1 ZINC000530232130 458724847 /nfs/dbraw/zinc/72/48/47/458724847.db2.gz NPLQVXOBMBBFHO-CQSZACIVSA-N 2 0 332.423 3.171 20 0 EGADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCSCC1 ZINC000547978797 458819008 /nfs/dbraw/zinc/81/90/08/458819008.db2.gz IXNGRLYNWTUIAU-YLJYHZDGSA-N 2 0 347.572 3.096 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC000518999468 458907426 /nfs/dbraw/zinc/90/74/26/458907426.db2.gz CDYJMPKDTIJBGT-DLBZAZTESA-N 2 0 330.472 3.129 20 0 EGADRP Cc1cnccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000519076073 458913134 /nfs/dbraw/zinc/91/31/34/458913134.db2.gz LHLIKZDXKCWIJX-UHFFFAOYSA-N 2 0 344.547 3.018 20 0 EGADRP CC(C)N(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000441398513 458935041 /nfs/dbraw/zinc/93/50/41/458935041.db2.gz YJZRBTGAVATDFE-FXAWDEMLSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000566482985 458946784 /nfs/dbraw/zinc/94/67/84/458946784.db2.gz QVRQDPHTCGGEGC-HONMWMINSA-N 2 0 329.257 3.379 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000495803926 458960167 /nfs/dbraw/zinc/96/01/67/458960167.db2.gz MVKBFAASBUIZPR-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495815197 458964161 /nfs/dbraw/zinc/96/41/61/458964161.db2.gz XMMMDPLAWLEZPY-OAHLLOKOSA-N 2 0 347.503 3.093 20 0 EGADRP Cc1cccc(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000566675715 458981972 /nfs/dbraw/zinc/98/19/72/458981972.db2.gz XVWCTFHIAYBTRG-UHFFFAOYSA-N 2 0 332.451 3.303 20 0 EGADRP CC[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000495864473 458982325 /nfs/dbraw/zinc/98/23/25/458982325.db2.gz IBHGGYZFNPZWDP-HNNXBMFYSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531937653 459003103 /nfs/dbraw/zinc/00/31/03/459003103.db2.gz IDOKARKAJUKQJW-QQFBHYJXSA-N 2 0 336.442 3.324 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000531945280 459005252 /nfs/dbraw/zinc/00/52/52/459005252.db2.gz USQKBSLGPRFXCG-GXTWGEPZSA-N 2 0 328.403 3.117 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2C)[C@@H](C)C1 ZINC000531953948 459006549 /nfs/dbraw/zinc/00/65/49/459006549.db2.gz KZFNFYRSWSFJCW-VQTJNVASSA-N 2 0 348.531 3.409 20 0 EGADRP C[C@H]1CC[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)c2sccc21 ZINC000567042667 459038270 /nfs/dbraw/zinc/03/82/70/459038270.db2.gz QAWCBDAMKJESDE-FZMZJTMJSA-N 2 0 331.489 3.061 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000532216280 459048233 /nfs/dbraw/zinc/04/82/33/459048233.db2.gz NDTNYSXZDLUAFE-PZJWPPBQSA-N 2 0 330.516 3.346 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442876534 459050336 /nfs/dbraw/zinc/05/03/36/459050336.db2.gz PPUYHRYXENFNGH-LJQANCHMSA-N 2 0 329.532 3.296 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CC1(C)C ZINC000442881466 459051534 /nfs/dbraw/zinc/05/15/34/459051534.db2.gz ZMZHUVLPNVOJPM-SFTDATJTSA-N 2 0 343.559 3.404 20 0 EGADRP CCN(Cc1nc(CC(C)C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999429 459064551 /nfs/dbraw/zinc/06/45/51/459064551.db2.gz HNKJGOOOCXKMFL-UHFFFAOYSA-N 2 0 330.476 3.352 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000443064247 459081251 /nfs/dbraw/zinc/08/12/51/459081251.db2.gz XTJPASAZNRUFQL-KRWDZBQOSA-N 2 0 337.467 3.500 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)ccc1F ZINC000443076524 459086204 /nfs/dbraw/zinc/08/62/04/459086204.db2.gz SPLKLDCMGOVVMD-ZIAGYGMSSA-N 2 0 332.423 3.306 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000496162722 459093760 /nfs/dbraw/zinc/09/37/60/459093760.db2.gz WUFTVGUAXSLDFU-ROUUACIJSA-N 2 0 325.412 3.142 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532484971 459096914 /nfs/dbraw/zinc/09/69/14/459096914.db2.gz QNDVAHPKGGSVLB-NQIIRXRSSA-N 2 0 329.532 3.391 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000577858670 459108784 /nfs/dbraw/zinc/10/87/84/459108784.db2.gz PAYLMWXWLVQGPD-KCPJHIHWSA-N 2 0 343.393 3.282 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000577948027 459122294 /nfs/dbraw/zinc/12/22/94/459122294.db2.gz LKTCUEORHWJRKC-RXVVDRJESA-N 2 0 326.484 3.065 20 0 EGADRP COC(C)(C)C[NH+](C)Cc1cccc(C[N@@H+](C)CC(C)(C)OC)c1 ZINC000532644552 459122738 /nfs/dbraw/zinc/12/27/38/459122738.db2.gz JYSBJSWXQXJDJY-UHFFFAOYSA-N 2 0 336.520 3.400 20 0 EGADRP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](CC)c1ccccc1 ZINC000521193594 459128167 /nfs/dbraw/zinc/12/81/67/459128167.db2.gz KDXBWNLEEFDSRO-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CCCCC[C@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000567642371 459138647 /nfs/dbraw/zinc/13/86/47/459138647.db2.gz QLGWTBMZCJLGQF-HKBOAZHASA-N 2 0 345.531 3.472 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000479462230 459142045 /nfs/dbraw/zinc/14/20/45/459142045.db2.gz FTECHDKLMPYSIJ-MOPGFXCFSA-N 2 0 344.499 3.220 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000479462235 459142223 /nfs/dbraw/zinc/14/22/23/459142223.db2.gz FTECHDKLMPYSIJ-RTBURBONSA-N 2 0 344.499 3.220 20 0 EGADRP CCOC(=O)CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558397048 459152716 /nfs/dbraw/zinc/15/27/16/459152716.db2.gz LKIRWJAPKUXZTI-MRXNPFEDSA-N 2 0 338.517 3.154 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477732 459163786 /nfs/dbraw/zinc/16/37/86/459163786.db2.gz HUZRNRBRYXDCIL-FGZHOGPDSA-N 2 0 341.543 3.316 20 0 EGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]CC3(c4ccccc4)CC3)c2cc1C ZINC000558751005 459207602 /nfs/dbraw/zinc/20/76/02/459207602.db2.gz XPKCOASBBRCFFI-IBGZPJMESA-N 2 0 349.478 3.335 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCC[C@@H](C)C1 ZINC000480625095 459209169 /nfs/dbraw/zinc/20/91/69/459209169.db2.gz MOHCHGOESDQMMW-QYZOEREBSA-N 2 0 347.547 3.398 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480710507 459215470 /nfs/dbraw/zinc/21/54/70/459215470.db2.gz DPJPHTUWKIBMDW-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH2+]C1CC[NH+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496501951 459217726 /nfs/dbraw/zinc/21/77/26/459217726.db2.gz SIHNZDAXNFMLIE-INIZCTEOSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000590786752 459218813 /nfs/dbraw/zinc/21/88/13/459218813.db2.gz LFWMIJKTGJUUGU-UHFFFAOYSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cnc2cc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)ccn12 ZINC000568193325 459245599 /nfs/dbraw/zinc/24/55/99/459245599.db2.gz GEXGMNBQSSTGPX-HNNXBMFYSA-N 2 0 328.460 3.027 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC[C@H]3CCc4ccccc43)C2)CC1 ZINC000595340222 459280511 /nfs/dbraw/zinc/28/05/11/459280511.db2.gz RINZADPLCRGYKF-NHCUHLMSSA-N 2 0 341.543 3.207 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000482132106 459291672 /nfs/dbraw/zinc/29/16/72/459291672.db2.gz ZBGPDFCWLWUXSK-HNAYVOBHSA-N 2 0 340.458 3.234 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000482157099 459294421 /nfs/dbraw/zinc/29/44/21/459294421.db2.gz ZVBYUSYVBYDLGL-LJQANCHMSA-N 2 0 328.500 3.218 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1C(C)(C)C ZINC000534351889 459321171 /nfs/dbraw/zinc/32/11/71/459321171.db2.gz HKQLUSYCKBBMMI-IAGOWNOFSA-N 2 0 345.531 3.222 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000568991128 459378540 /nfs/dbraw/zinc/37/85/40/459378540.db2.gz KOTMXDMRFBNIOZ-NQIIRXRSSA-N 2 0 348.531 3.327 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)N1CCCC[C@@H]1C ZINC000496991507 459397801 /nfs/dbraw/zinc/39/78/01/459397801.db2.gz BKAMNHMTPHWOKI-XHSDSOJGSA-N 2 0 339.524 3.094 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000582660166 459404080 /nfs/dbraw/zinc/40/40/80/459404080.db2.gz NIIQRKAMNDICBB-ZDUSSCGKSA-N 2 0 345.878 3.190 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497041073 459414981 /nfs/dbraw/zinc/41/49/81/459414981.db2.gz YYSUONPBJVXVPO-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484503836 459417139 /nfs/dbraw/zinc/41/71/39/459417139.db2.gz SWPAVZLSWJWZJZ-FSAOVCISSA-N 2 0 329.532 3.073 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000525173130 459423011 /nfs/dbraw/zinc/42/30/11/459423011.db2.gz GYKCCVKFNKIKJU-CTNGQTDRSA-N 2 0 329.532 3.108 20 0 EGADRP Fc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)[nH]2)cc1 ZINC000582779650 459426604 /nfs/dbraw/zinc/42/66/04/459426604.db2.gz JNFBXOOTNKDBKI-BRWVUGGUSA-N 2 0 343.450 3.011 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000569411475 459445656 /nfs/dbraw/zinc/44/56/56/459445656.db2.gz JVAWTBJVKLHHPF-HXUWFJFHSA-N 2 0 333.520 3.437 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000569475227 459459276 /nfs/dbraw/zinc/45/92/76/459459276.db2.gz AIPYYRKLRLQAQY-MRXNPFEDSA-N 2 0 335.467 3.030 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000541741234 459487058 /nfs/dbraw/zinc/48/70/58/459487058.db2.gz KSCMAHGUEXBPIT-UZLBHIALSA-N 2 0 333.520 3.292 20 0 EGADRP CC(C)Cc1ncc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000583369314 459527217 /nfs/dbraw/zinc/52/72/17/459527217.db2.gz QBEUVBZZFBVSOB-FUHWJXTLSA-N 2 0 337.533 3.060 20 0 EGADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)CC2 ZINC000526001649 459529739 /nfs/dbraw/zinc/52/97/39/459529739.db2.gz UELYFNOALPQBQB-HNNXBMFYSA-N 2 0 346.519 3.019 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000542501683 459563613 /nfs/dbraw/zinc/56/36/13/459563613.db2.gz CMMOXCHSEISZQW-HOTGVXAUSA-N 2 0 333.520 3.399 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000562473739 459568686 /nfs/dbraw/zinc/56/86/86/459568686.db2.gz JNHJBDSNGZOEJR-WOJBJXKFSA-N 2 0 329.532 3.385 20 0 EGADRP Cc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1C ZINC000584183768 459676797 /nfs/dbraw/zinc/67/67/97/459676797.db2.gz UYAKSGUKLNORLT-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000543777922 459700373 /nfs/dbraw/zinc/70/03/73/459700373.db2.gz PSNRVWGBZHVLSC-YDMFQYSRSA-N 2 0 340.511 3.168 20 0 EGADRP CC(C)[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)cc1 ZINC000573594652 459703527 /nfs/dbraw/zinc/70/35/27/459703527.db2.gz FDRMEPXHYNUBBJ-QGZVFWFLSA-N 2 0 347.894 3.412 20 0 EGADRP CC1CCC(O)(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000573794379 459736219 /nfs/dbraw/zinc/73/62/19/459736219.db2.gz JEXALWMBZKKILZ-CKHPTIKVSA-N 2 0 330.516 3.082 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CC[C@H](C)C1 ZINC000584433327 459736301 /nfs/dbraw/zinc/73/63/01/459736301.db2.gz VUQCYBUJZHJRLQ-STQMWFEESA-N 2 0 343.284 3.451 20 0 EGADRP Cc1ccccc1OC[C@@H](O)C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000573913451 459756084 /nfs/dbraw/zinc/75/60/84/459756084.db2.gz GDXQRGXHDPGFNG-FQEVSTJZSA-N 2 0 348.531 3.082 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)[C@@H]3CC34CC4)cc2)CC1 ZINC000527846635 459757156 /nfs/dbraw/zinc/75/71/56/459757156.db2.gz FUZXTWXACZBWCP-XLIONFOSSA-N 2 0 327.516 3.102 20 0 EGADRP CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000573931352 459759342 /nfs/dbraw/zinc/75/93/42/459759342.db2.gz SBIDXLAXDHPFOW-ZFWWWQNUSA-N 2 0 341.455 3.032 20 0 EGADRP CC(C)c1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000527860844 459760778 /nfs/dbraw/zinc/76/07/78/459760778.db2.gz YOUNVDWARHQPGI-VQIMIIECSA-N 2 0 331.504 3.048 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527859126 459760834 /nfs/dbraw/zinc/76/08/34/459760834.db2.gz CUJFOBFDKCQODT-KBXCAEBGSA-N 2 0 340.870 3.293 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000584775172 459800608 /nfs/dbraw/zinc/80/06/08/459800608.db2.gz DZGZLJATEXBNIT-YQFWSFKMSA-N 2 0 344.421 3.046 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCc1cncn1C ZINC000584789316 459802939 /nfs/dbraw/zinc/80/29/39/459802939.db2.gz XJLCKRDIEKVYLD-QZTJIDSGSA-N 2 0 340.515 3.099 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410190 459816097 /nfs/dbraw/zinc/81/60/97/459816097.db2.gz BKYKEOUSYCNVCY-WMLDXEAASA-N 2 0 347.528 3.390 20 0 EGADRP CC(C)OC1CC[NH+](C/C=C/C[NH+]2CCC(OC(C)C)CC2)CC1 ZINC000593304304 459834809 /nfs/dbraw/zinc/83/48/09/459834809.db2.gz ZTSDBTGUNGQEOT-AATRIKPKSA-N 2 0 338.536 3.321 20 0 EGADRP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868470 459862497 /nfs/dbraw/zinc/86/24/97/459862497.db2.gz NJZBGPHXVPCQLS-XYPHTWIQSA-N 2 0 343.298 3.286 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000546016886 459888838 /nfs/dbraw/zinc/88/88/38/459888838.db2.gz QBUBMFOCTPASLE-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]21 ZINC000575059755 459918909 /nfs/dbraw/zinc/91/89/09/459918909.db2.gz IVMQCDVILOTIDL-YSIASYRMSA-N 2 0 349.478 3.351 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3cc(C)c(C)cc3C)C2)CC1 ZINC000602465451 459950378 /nfs/dbraw/zinc/95/03/78/459950378.db2.gz QXZXAMBBMONQCN-XYXUZSOXSA-N 2 0 341.543 3.337 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3cc(C)c(C)cc3C)C2)CC1 ZINC000602465438 459950525 /nfs/dbraw/zinc/95/05/25/459950525.db2.gz QXZXAMBBMONQCN-DYRFGFBLSA-N 2 0 341.543 3.337 20 0 EGADRP C[C@H](C[S@](C)=O)[N@H+](C)[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616584 460024259 /nfs/dbraw/zinc/02/42/59/460024259.db2.gz WDFPFEFIJOBBTK-ALIIGJLFSA-N 2 0 334.529 3.053 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000621727923 460033958 /nfs/dbraw/zinc/03/39/58/460033958.db2.gz WASVIKLYFSQZSI-QGZVFWFLSA-N 2 0 335.561 3.301 20 0 EGADRP CCC(C)(C)[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000576794632 460212599 /nfs/dbraw/zinc/21/25/99/460212599.db2.gz YAFHGXJISCQRPR-OAHLLOKOSA-N 2 0 325.541 3.027 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798889 460268419 /nfs/dbraw/zinc/26/84/19/460268419.db2.gz HPXXKNDJBPISLK-DYESRHJHSA-N 2 0 342.483 3.361 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](C)C2CCCCC2)CC1 ZINC000625987332 460328382 /nfs/dbraw/zinc/32/83/82/460328382.db2.gz LYDVCTLTILYOEP-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061929 460358946 /nfs/dbraw/zinc/35/89/46/460358946.db2.gz ZJUMLOWYWIMSDQ-HXUWFJFHSA-N 2 0 345.531 3.361 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000615617670 460360421 /nfs/dbraw/zinc/36/04/21/460360421.db2.gz BKRXRNWBSBEGAZ-TZIWHRDSSA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000623064916 460400943 /nfs/dbraw/zinc/40/09/43/460400943.db2.gz JTLXSAQDZZWGKS-IEBWSBKVSA-N 2 0 344.503 3.134 20 0 EGADRP CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000626159113 460405842 /nfs/dbraw/zinc/40/58/42/460405842.db2.gz HDPHXNFMKZVOBF-NRFANRHFSA-N 2 0 343.515 3.163 20 0 EGADRP CCC(O)(CC)C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000628479328 460432772 /nfs/dbraw/zinc/43/27/72/460432772.db2.gz JJHLLEAZUABEMJ-UHFFFAOYSA-N 2 0 334.504 3.144 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631664506 460497993 /nfs/dbraw/zinc/49/79/93/460497993.db2.gz OETCYVXOTVPYPF-POAQFYNOSA-N 2 0 326.488 3.229 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635302908 460739413 /nfs/dbraw/zinc/73/94/13/460739413.db2.gz FSWWGHHGZLSMMK-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635415119 460776271 /nfs/dbraw/zinc/77/62/71/460776271.db2.gz ABIACVLJUAXKSO-HXUWFJFHSA-N 2 0 341.499 3.280 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629539988 460800597 /nfs/dbraw/zinc/80/05/97/460800597.db2.gz SVRWGMKEFVQQBN-NSHGMRRFSA-N 2 0 331.504 3.232 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc2c1 ZINC000629538016 460800797 /nfs/dbraw/zinc/80/07/97/460800797.db2.gz NNKPHONLRXSHEU-FPOVZHCZSA-N 2 0 339.483 3.262 20 0 EGADRP CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C1CC[NH+](C)CC1 ZINC000627619517 460864708 /nfs/dbraw/zinc/86/47/08/460864708.db2.gz KYQBMTHYKBFVCX-UHFFFAOYSA-N 2 0 345.531 3.473 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624121193 460869376 /nfs/dbraw/zinc/86/93/76/460869376.db2.gz PTMLYGPTDNPEBA-HUUCEWRRSA-N 2 0 329.488 3.299 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624121192 460870142 /nfs/dbraw/zinc/87/01/42/460870142.db2.gz PTMLYGPTDNPEBA-GJZGRUSLSA-N 2 0 329.488 3.299 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000632948437 460901006 /nfs/dbraw/zinc/90/10/06/460901006.db2.gz IDMVVGWZBOKSFJ-UHFFFAOYSA-N 2 0 330.476 3.018 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)[C@@H](C)C1 ZINC000607957039 460947557 /nfs/dbraw/zinc/94/75/57/460947557.db2.gz TWAUDHQIYGASHZ-LAUBAEHRSA-N 2 0 339.483 3.481 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000635996905 461002718 /nfs/dbraw/zinc/00/27/18/461002718.db2.gz LBYRXPLSHYFSNQ-RTBURBONSA-N 2 0 327.472 3.191 20 0 EGADRP Cc1ccc([C@H](C)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000628186543 461037154 /nfs/dbraw/zinc/03/71/54/461037154.db2.gz NRAIXJWNNLKEKQ-SFHLNBCPSA-N 2 0 329.532 3.056 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000628201520 461047612 /nfs/dbraw/zinc/04/76/12/461047612.db2.gz JLELAFLNKWSSNH-GOSISDBHSA-N 2 0 338.499 3.035 20 0 EGADRP Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000637906544 461117348 /nfs/dbraw/zinc/11/73/48/461117348.db2.gz AGDRNBUKXDMALS-LJQANCHMSA-N 2 0 330.520 3.459 20 0 EGADRP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652346890 461141445 /nfs/dbraw/zinc/14/14/45/461141445.db2.gz LAVSAXHOOQDVSD-QKNQBKEWSA-N 2 0 346.515 3.291 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000652347773 461142896 /nfs/dbraw/zinc/14/28/96/461142896.db2.gz LMHBTPRISROMIW-QXAKKESOSA-N 2 0 336.907 3.491 20 0 EGADRP c1ccc(CC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]2CCOC2)cc1 ZINC000662257134 461147516 /nfs/dbraw/zinc/14/75/16/461147516.db2.gz ASSLAASNXDGNQA-OAQYLSRUSA-N 2 0 336.479 3.166 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cc2)n1 ZINC000652355108 461150403 /nfs/dbraw/zinc/15/04/03/461150403.db2.gz PMBMHJTXNATPOE-FOIQADDNSA-N 2 0 326.488 3.438 20 0 EGADRP CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362870 461154292 /nfs/dbraw/zinc/15/42/92/461154292.db2.gz RQWGRLOPBKZNOD-NLWGTHIKSA-N 2 0 332.488 3.335 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362526 461155863 /nfs/dbraw/zinc/15/58/63/461155863.db2.gz JCRDYJIFJXUMOT-ILXRZTDVSA-N 2 0 347.484 3.264 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290134 461168221 /nfs/dbraw/zinc/16/82/21/461168221.db2.gz KZHQKGZTPPCJAU-GDBMZVCRSA-N 2 0 349.906 3.379 20 0 EGADRP CN1CCC[C@@H]1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000649617363 461223731 /nfs/dbraw/zinc/22/37/31/461223731.db2.gz GLJQHEQSJPVDOK-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000638079405 461228210 /nfs/dbraw/zinc/22/82/10/461228210.db2.gz CTVOGIJRPGPTLX-MRXNPFEDSA-N 2 0 331.504 3.065 20 0 EGADRP C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000665739050 461240353 /nfs/dbraw/zinc/24/03/53/461240353.db2.gz PVQDAILEHWPTNY-KRWDZBQOSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000662445240 461245396 /nfs/dbraw/zinc/24/53/96/461245396.db2.gz QTPBNBLMRBDBHH-MOPGFXCFSA-N 2 0 337.552 3.112 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655445510 461254782 /nfs/dbraw/zinc/25/47/82/461254782.db2.gz AAANHWYWEUCIMN-CTNGQTDRSA-N 2 0 341.499 3.043 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633802782 461278876 /nfs/dbraw/zinc/27/88/76/461278876.db2.gz JVZFNJZSHDUUFG-SCTDSRPQSA-N 2 0 345.531 3.037 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000641663752 461312288 /nfs/dbraw/zinc/31/22/88/461312288.db2.gz UVIWXUYRNVLYKP-IBGZPJMESA-N 2 0 335.536 3.118 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675328 461344185 /nfs/dbraw/zinc/34/41/85/461344185.db2.gz LKKYVPPKSCSELG-APWZRJJASA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)N(C)CC(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000659453974 461354588 /nfs/dbraw/zinc/35/45/88/461354588.db2.gz BLGQVHPLFVKCMX-INIZCTEOSA-N 2 0 346.519 3.029 20 0 EGADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000633965721 461361074 /nfs/dbraw/zinc/36/10/74/461361074.db2.gz RBBMMSIWVRNMKP-IBGZPJMESA-N 2 0 347.547 3.260 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000638314108 461361855 /nfs/dbraw/zinc/36/18/55/461361855.db2.gz IKQKLDHXHPRPRX-UHFFFAOYSA-N 2 0 330.394 3.030 20 0 EGADRP COc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000638313276 461362638 /nfs/dbraw/zinc/36/26/38/461362638.db2.gz SPFCXGFPLNJWEP-UHFFFAOYSA-N 2 0 331.485 3.427 20 0 EGADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641799185 461378732 /nfs/dbraw/zinc/37/87/32/461378732.db2.gz OBCNGFSJKJQIFH-ROUUACIJSA-N 2 0 325.456 3.472 20 0 EGADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000662829797 461386576 /nfs/dbraw/zinc/38/65/76/461386576.db2.gz HNSSJGZXDGGOKV-QGZVFWFLSA-N 2 0 347.528 3.201 20 0 EGADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000655728509 461396946 /nfs/dbraw/zinc/39/69/46/461396946.db2.gz VTCMPANFPZAPOY-FXAWDEMLSA-N 2 0 328.500 3.381 20 0 EGADRP COc1ncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000638457824 461438318 /nfs/dbraw/zinc/43/83/18/461438318.db2.gz YFAUUBPLCBNDPD-UHFFFAOYSA-N 2 0 337.514 3.215 20 0 EGADRP CO[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCOC1 ZINC000638458149 461438824 /nfs/dbraw/zinc/43/88/24/461438824.db2.gz RIWVQMZVEPGAIU-RTWAWAEBSA-N 2 0 346.515 3.204 20 0 EGADRP COCCC[NH+]1CCC([NH2+]C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000638483180 461450777 /nfs/dbraw/zinc/45/07/77/461450777.db2.gz HXHJOTXASGYPQO-HXUWFJFHSA-N 2 0 334.504 3.243 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000631063243 461514796 /nfs/dbraw/zinc/51/47/96/461514796.db2.gz JAZNMQVUFKMEJM-LXXRFIIISA-N 2 0 329.532 3.098 20 0 EGADRP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638727939 461550910 /nfs/dbraw/zinc/55/09/10/461550910.db2.gz ADRCTVKSKGJQGC-WOJBJXKFSA-N 2 0 346.515 3.040 20 0 EGADRP CC(C)c1cccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000663315453 461554091 /nfs/dbraw/zinc/55/40/91/461554091.db2.gz HPFUEWIKCUACOD-UHFFFAOYSA-N 2 0 338.499 3.247 20 0 EGADRP [NH3+]Cc1ccc(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)o1 ZINC000653253458 461593143 /nfs/dbraw/zinc/59/31/43/461593143.db2.gz UYICOQLDZZCUQU-UHFFFAOYSA-N 2 0 345.468 3.179 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000653271737 461600857 /nfs/dbraw/zinc/60/08/57/461600857.db2.gz JHQKEYKJPDUZPU-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000647287615 461613134 /nfs/dbraw/zinc/61/31/34/461613134.db2.gz NJEVGPXBFOPBJR-NQIIRXRSSA-N 2 0 347.547 3.256 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000647291325 461617046 /nfs/dbraw/zinc/61/70/46/461617046.db2.gz MMODLWPUICBMOZ-OAQYLSRUSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@H]1CN(Cc2cccc(CNc3[nH+]ccc4[nH]ccc43)c2)CCO1 ZINC000663427243 461636234 /nfs/dbraw/zinc/63/62/34/461636234.db2.gz ULCBVAZZCGYRTF-HNNXBMFYSA-N 2 0 336.439 3.396 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000656197748 461642547 /nfs/dbraw/zinc/64/25/47/461642547.db2.gz HOFROVMSFOPIKT-HIFRSBDPSA-N 2 0 330.501 3.125 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663469514 461659139 /nfs/dbraw/zinc/65/91/39/461659139.db2.gz PYFFDAHSGIVCDF-QFBILLFUSA-N 2 0 346.515 3.346 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000656271631 461696717 /nfs/dbraw/zinc/69/67/17/461696717.db2.gz JKEATRSRHIXHRW-HXUWFJFHSA-N 2 0 332.488 3.161 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663595681 461717461 /nfs/dbraw/zinc/71/74/61/461717461.db2.gz JFXDHOIOIPESLG-SFHVURJKSA-N 2 0 344.503 3.040 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000647492137 461734701 /nfs/dbraw/zinc/73/47/01/461734701.db2.gz HQWFTQAUGNSYKL-CQSZACIVSA-N 2 0 332.879 3.144 20 0 EGADRP O=c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc(C2CC2)[nH]1 ZINC000656411138 461738176 /nfs/dbraw/zinc/73/81/76/461738176.db2.gz MOXDJSNHNZNMIL-UHFFFAOYSA-N 2 0 344.503 3.148 20 0 EGADRP Cn1ccc([C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccc(Cl)cc2)n1 ZINC000643481207 461742384 /nfs/dbraw/zinc/74/23/84/461742384.db2.gz IHYGTYJLLTXFQO-PVCYVWKFSA-N 2 0 332.879 3.270 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522328 461753008 /nfs/dbraw/zinc/75/30/08/461753008.db2.gz LRFSCKUVFLCULY-XHDPSFHLSA-N 2 0 327.241 3.307 20 0 EGADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000643528183 461754174 /nfs/dbraw/zinc/75/41/74/461754174.db2.gz FETGDYWZCWWXOG-RKDXNWHRSA-N 2 0 337.773 3.013 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533757 461755381 /nfs/dbraw/zinc/75/53/81/461755381.db2.gz DDJGYAHYGUOKGC-IUODEOHRSA-N 2 0 328.485 3.306 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536444 461755982 /nfs/dbraw/zinc/75/59/82/461755982.db2.gz QVVWPHOFLVZCPJ-IAQYHMDHSA-N 2 0 341.268 3.251 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542805 461757207 /nfs/dbraw/zinc/75/72/07/461757207.db2.gz CAIOMMZWSAYJIF-MOPGFXCFSA-N 2 0 330.520 3.138 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000643536816 461757483 /nfs/dbraw/zinc/75/74/83/461757483.db2.gz WBBCEPGJEPPMTI-SOAGJPPSSA-N 3 0 327.516 3.161 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cnc21 ZINC000647543956 461758619 /nfs/dbraw/zinc/75/86/19/461758619.db2.gz UUPSJPGMSDHZOP-ZWKOTPCHSA-N 2 0 341.503 3.224 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647544247 461759049 /nfs/dbraw/zinc/75/90/49/461759049.db2.gz YMTUZWVDJUBGEB-LSDHHAIUSA-N 2 0 346.906 3.438 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)O[C@H](C)C2 ZINC000647543718 461759106 /nfs/dbraw/zinc/75/91/06/461759106.db2.gz RLPPTYGUPFHEMH-IKGGRYGDSA-N 2 0 344.499 3.230 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CC[NH2+]1 ZINC000666690854 461761530 /nfs/dbraw/zinc/76/15/30/461761530.db2.gz OWPKJLSTPPZAEJ-CVEARBPZSA-N 2 0 340.471 3.304 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643548330 461761476 /nfs/dbraw/zinc/76/14/76/461761476.db2.gz NYJMUYQLLDVQHD-BFYDXBDKSA-N 2 0 332.488 3.460 20 0 EGADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549927 461762807 /nfs/dbraw/zinc/76/28/07/461762807.db2.gz XZDKFZYQYCTWPZ-RBSFLKMASA-N 2 0 328.378 3.105 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647550531 461763269 /nfs/dbraw/zinc/76/32/69/461763269.db2.gz WVZYCPHRTDSLIX-QLFBSQMISA-N 2 0 328.378 3.105 20 0 EGADRP CC[C@H]1c2ccccc2CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000669690152 461768963 /nfs/dbraw/zinc/76/89/63/461768963.db2.gz KLZCVVJDGZMEQH-NRFANRHFSA-N 2 0 329.532 3.412 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660472414 461799486 /nfs/dbraw/zinc/79/94/86/461799486.db2.gz FMUZBUVFDLDOAB-LJQANCHMSA-N 2 0 331.504 3.200 20 0 EGADRP c1ccc([C@H](CN2CCCCC2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647784557 461833799 /nfs/dbraw/zinc/83/37/99/461833799.db2.gz YFSWOZADXGCCHO-MHTWAQMVSA-N 2 0 327.516 3.191 20 0 EGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788457 461835468 /nfs/dbraw/zinc/83/54/68/461835468.db2.gz JWRSZVKYNAKINR-LUYSREMJSA-N 2 0 328.500 3.440 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)C1 ZINC000647788978 461835847 /nfs/dbraw/zinc/83/58/47/461835847.db2.gz WIAGPFYFIIKBSB-BRKWEVRTSA-N 3 0 341.543 3.396 20 0 EGADRP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647790240 461836656 /nfs/dbraw/zinc/83/66/56/461836656.db2.gz VBRAHVPOSFVGQC-RBSFLKMASA-N 2 0 328.378 3.105 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790011 461836735 /nfs/dbraw/zinc/83/67/35/461836735.db2.gz PJGHPQJFHVQSGU-VXIBKDFQSA-N 2 0 347.934 3.452 20 0 EGADRP Clc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCOCC2)cc1 ZINC000647792300 461837247 /nfs/dbraw/zinc/83/72/47/461837247.db2.gz YVLDJIUMNKMNMD-FRQCXROJSA-N 2 0 348.918 3.366 20 0 EGADRP CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NCc1cccs1 ZINC000647801996 461843081 /nfs/dbraw/zinc/84/30/81/461843081.db2.gz AGMNUVMPBWRLFC-VYDXJSESSA-N 2 0 337.533 3.043 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000663882565 461854470 /nfs/dbraw/zinc/85/44/70/461854470.db2.gz KXBRPXCGMKQNIX-UTKZUKDTSA-N 2 0 343.515 3.019 20 0 EGADRP COc1cc(C)c([C@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000639334169 461866583 /nfs/dbraw/zinc/86/65/83/461866583.db2.gz ADNCGGCNFMYTAY-ZWKOTPCHSA-N 2 0 334.504 3.416 20 0 EGADRP Clc1ccc(O[C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647891538 461871891 /nfs/dbraw/zinc/87/18/91/461871891.db2.gz NIUZHZYREOAFSB-OCCSQVGLSA-N 2 0 329.271 3.446 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621370 461884576 /nfs/dbraw/zinc/88/45/76/461884576.db2.gz MJBXPSXNHYDBLV-WBVHZDCISA-N 2 0 342.936 3.208 20 0 EGADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783892 461893636 /nfs/dbraw/zinc/89/36/36/461893636.db2.gz BASKKDYHFYVKNH-HNNXBMFYSA-N 2 0 330.501 3.350 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705983 461899344 /nfs/dbraw/zinc/89/93/44/461899344.db2.gz BLTKNFIEKFQFNI-BJLQDIEVSA-N 2 0 332.488 3.194 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000650707825 461901107 /nfs/dbraw/zinc/90/11/07/461901107.db2.gz NSDAOHZFCIBOJN-LXZKKBNFSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000650707593 461902318 /nfs/dbraw/zinc/90/23/18/461902318.db2.gz JCVVBBNARAAOOD-BFYDXBDKSA-N 2 0 335.517 3.129 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)[C@H]1CC[NH3+] ZINC000650711508 461904675 /nfs/dbraw/zinc/90/46/75/461904675.db2.gz WCGFXSBKUGYQAZ-AHRSYUTCSA-N 2 0 332.488 3.194 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)[C@@H]1CC[NH3+] ZINC000650711079 461905151 /nfs/dbraw/zinc/90/51/51/461905151.db2.gz HPFKNZMBOZMOJS-MAUKXSAKSA-N 2 0 326.444 3.218 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000650721862 461913212 /nfs/dbraw/zinc/91/32/12/461913212.db2.gz DLWAXDSPOALXDJ-DJIMGWMZSA-N 2 0 340.414 3.149 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000650721995 461915093 /nfs/dbraw/zinc/91/50/93/461915093.db2.gz HZPONRVUERFBEY-GUDVDZBRSA-N 2 0 325.456 3.096 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647976626 461919439 /nfs/dbraw/zinc/91/94/39/461919439.db2.gz RFQPPESCWCSKCH-OTWHNJEPSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650739853 461928187 /nfs/dbraw/zinc/92/81/87/461928187.db2.gz ASPPKAVPONHCGQ-FNHZYXHNSA-N 2 0 344.430 3.460 20 0 EGADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc(OC)c1OC ZINC000650752358 461933776 /nfs/dbraw/zinc/93/37/76/461933776.db2.gz PQLHRJKKWNQTEE-GFCCVEGCSA-N 2 0 348.418 3.161 20 0 EGADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639553589 461985227 /nfs/dbraw/zinc/98/52/27/461985227.db2.gz OQKAWBCSOVQYDS-UYAOXDASSA-N 2 0 328.500 3.400 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CCC(C)(C)[NH3+])c2)CC1 ZINC000648165189 461994410 /nfs/dbraw/zinc/99/44/10/461994410.db2.gz SHBPDYNVCLUQET-UHFFFAOYSA-N 2 0 331.504 3.417 20 0 EGADRP CC1CC[NH+](CCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657294303 462022938 /nfs/dbraw/zinc/02/29/38/462022938.db2.gz MFBLINNICPXAHI-FQEVSTJZSA-N 2 0 332.488 3.066 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000657295004 462023476 /nfs/dbraw/zinc/02/34/76/462023476.db2.gz ZWZLINDOGBBRBU-GOSISDBHSA-N 2 0 334.504 3.312 20 0 EGADRP CCc1cccc2cc(C[NH2+]CCCN3CC[NH+](CC)CC3)oc21 ZINC000657308795 462032924 /nfs/dbraw/zinc/03/29/24/462032924.db2.gz XQUPDGCRSNHVGC-UHFFFAOYSA-N 2 0 329.488 3.112 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657310353 462035368 /nfs/dbraw/zinc/03/53/68/462035368.db2.gz CCJFZPBFOYJOOL-WIYYLYMNSA-N 2 0 346.515 3.456 20 0 EGADRP Cn1ncc(C2CC2)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000657329330 462051534 /nfs/dbraw/zinc/05/15/34/462051534.db2.gz ONQRNMIIOABOSW-UHFFFAOYSA-N 2 0 338.499 3.299 20 0 EGADRP Cc1ncc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)n1C ZINC000657343086 462060012 /nfs/dbraw/zinc/06/00/12/462060012.db2.gz WRUQFIMRZSYGNX-UHFFFAOYSA-N 2 0 327.428 3.059 20 0 EGADRP CC(C)c1n[nH]c(CC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000639719168 462075512 /nfs/dbraw/zinc/07/55/12/462075512.db2.gz ZWJJOZNAEKYZCJ-QGZVFWFLSA-N 2 0 333.524 3.057 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H]2CCOC2)CC3)cc1 ZINC000639727523 462078193 /nfs/dbraw/zinc/07/81/93/462078193.db2.gz VLJJORYEYZXYSG-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657398852 462096916 /nfs/dbraw/zinc/09/69/16/462096916.db2.gz DBYGLABWTZJKFU-ZWKOTPCHSA-N 2 0 345.512 3.154 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000661129743 462117997 /nfs/dbraw/zinc/11/79/97/462117997.db2.gz ZBAZSXUBNCGJBZ-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CCCOc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c(C)c1 ZINC000657485441 462152040 /nfs/dbraw/zinc/15/20/40/462152040.db2.gz ZPXGSOCWJOWJKY-UHFFFAOYSA-N 2 0 347.547 3.290 20 0 EGADRP CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657563743 462181873 /nfs/dbraw/zinc/18/18/73/462181873.db2.gz UWLLZPLERMWDPH-LJQANCHMSA-N 2 0 345.531 3.124 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000667675743 462206932 /nfs/dbraw/zinc/20/69/32/462206932.db2.gz VFANSHJBICMTON-UHFFFAOYSA-N 2 0 346.515 3.471 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000667705535 462224637 /nfs/dbraw/zinc/22/46/37/462224637.db2.gz FXSOXHGSCSHNHV-XKGZKEIXSA-N 2 0 332.488 3.016 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)[NH+]2CCCC2)o1 ZINC000667729554 462234834 /nfs/dbraw/zinc/23/48/34/462234834.db2.gz MORFOUOHLZOWKY-QGZVFWFLSA-N 2 0 342.443 3.005 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000667732090 462236338 /nfs/dbraw/zinc/23/63/38/462236338.db2.gz AEHHNHYSWMKFPK-IBGZPJMESA-N 2 0 338.455 3.104 20 0 EGADRP CNC(=O)CC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000657763150 462255799 /nfs/dbraw/zinc/25/57/99/462255799.db2.gz VHCLVLJDOQJEJI-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813656 462279231 /nfs/dbraw/zinc/27/92/31/462279231.db2.gz WOZHZCDAAZVFJQ-UHFFFAOYSA-N 2 0 346.906 3.438 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000654588025 462298105 /nfs/dbraw/zinc/29/81/05/462298105.db2.gz KUIXGIOKDOKBAP-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000657882015 462307768 /nfs/dbraw/zinc/30/77/68/462307768.db2.gz WGWUQESVQAULEB-MOPGFXCFSA-N 2 0 338.923 3.488 20 0 EGADRP CCOC1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000657970238 462333671 /nfs/dbraw/zinc/33/36/71/462333671.db2.gz ZPLZPNGDBXNOGB-KBWCOIMZSA-N 2 0 346.515 3.081 20 0 EGADRP CC(=O)Nc1ccc([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000665251240 462369270 /nfs/dbraw/zinc/36/92/70/462369270.db2.gz KSQAVNWVVAUPPE-IWMITWMQSA-N 2 0 337.467 3.441 20 0 EGADRP CC[N@H+](CCCNCc1ccc2c(c1)NC(=O)CO2)C1CCCCC1 ZINC000651910598 462376319 /nfs/dbraw/zinc/37/63/19/462376319.db2.gz ZYIBZJYDKSLLDH-UHFFFAOYSA-N 2 0 345.487 3.152 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000649306164 462474581 /nfs/dbraw/zinc/47/45/81/462474581.db2.gz DKSRBXPDXHJIKI-GOSISDBHSA-N 2 0 345.874 3.108 20 0 EGADRP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000649413601 462503439 /nfs/dbraw/zinc/50/34/39/462503439.db2.gz PLFZVJYNWCLTRB-IRXDYDNUSA-N 2 0 326.488 3.406 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](CC1CCC(C(F)(F)F)CC1)CCO2 ZINC000646106158 462518841 /nfs/dbraw/zinc/51/88/41/462518841.db2.gz QEZUYCWTYJHWAK-UHFFFAOYSA-N 2 0 334.426 3.152 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173959763 528432213 /nfs/dbraw/zinc/43/22/13/528432213.db2.gz VGYUVYRMHJDPMR-UHFFFAOYSA-N 2 0 332.488 3.162 20 0 EGADRP CC(C)n1cc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000089214668 535066051 /nfs/dbraw/zinc/06/60/51/535066051.db2.gz CFXCDAPUZQSRAY-MRXNPFEDSA-N 2 0 327.476 3.426 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000236825360 535653850 /nfs/dbraw/zinc/65/38/50/535653850.db2.gz GMZKCICUWVKKND-ROUUACIJSA-N 2 0 345.512 3.337 20 0 EGADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000265039642 535964592 /nfs/dbraw/zinc/96/45/92/535964592.db2.gz MVHFYQNHUBLCMX-GFCCVEGCSA-N 2 0 344.286 3.206 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)no1 ZINC000090911269 546661780 /nfs/dbraw/zinc/66/17/80/546661780.db2.gz CIEAYBGONLGCPO-HYVNUMGLSA-N 2 0 326.444 3.057 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563681 546684568 /nfs/dbraw/zinc/68/45/68/546684568.db2.gz LETFWLWQQPIRME-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904864 546763764 /nfs/dbraw/zinc/76/37/64/546763764.db2.gz GXSZBARNZJRSAL-IAGOWNOFSA-N 2 0 335.561 3.280 20 0 EGADRP C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)C1CC[NH+](C)CC1 ZINC000154496297 546891305 /nfs/dbraw/zinc/89/13/05/546891305.db2.gz FWTKJJUMASJZPR-HNNXBMFYSA-N 2 0 326.488 3.121 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000155107818 546899132 /nfs/dbraw/zinc/89/91/32/546899132.db2.gz VCFOCPLKCMZVDX-XJKSGUPXSA-N 2 0 339.936 3.102 20 0 EGADRP CCOc1cc2c(cc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000161732356 546959245 /nfs/dbraw/zinc/95/92/45/546959245.db2.gz UCASNDNLEZVFOK-CABCVRRESA-N 2 0 332.488 3.229 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000339069866 547568242 /nfs/dbraw/zinc/56/82/42/547568242.db2.gz YCLOPBQBKKIVPO-MSOLQXFVSA-N 2 0 349.469 3.146 20 0 EGADRP c1csc(C[NH+]2CCC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569558 /nfs/dbraw/zinc/56/95/58/547569558.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 2 0 333.545 3.177 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000390591086 547829203 /nfs/dbraw/zinc/82/92/03/547829203.db2.gz PGPNDNKTDAVXSJ-CWJKEVGVSA-N 2 0 329.532 3.407 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414974325 547862700 /nfs/dbraw/zinc/86/27/00/547862700.db2.gz JTLSHGHBISNOQA-PKOBYXMFSA-N 2 0 344.503 3.106 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474924261 547955017 /nfs/dbraw/zinc/95/50/17/547955017.db2.gz IMEKPBQCAHKCMH-NUWOQIAWSA-N 2 0 349.485 3.359 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2scnc2C2CC2)cc1 ZINC000486961328 547969945 /nfs/dbraw/zinc/96/99/45/547969945.db2.gz BQKVFFQYIWFZJU-UHFFFAOYSA-N 2 0 331.485 3.251 20 0 EGADRP c1nc(C2CC2)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000494977604 547994995 /nfs/dbraw/zinc/99/49/95/547994995.db2.gz OSIZRIHCAPZQBT-UHFFFAOYSA-N 2 0 335.517 3.097 20 0 EGADRP C[C@@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C(C)(C)C ZINC000670262745 548192982 /nfs/dbraw/zinc/19/29/82/548192982.db2.gz HRGOHVKFGPBNQZ-INIZCTEOSA-N 2 0 339.568 3.085 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000675747603 548973663 /nfs/dbraw/zinc/97/36/63/548973663.db2.gz AGDQIBPSWYQGJP-SFHVURJKSA-N 2 0 340.515 3.352 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(s1)CCCC2 ZINC000675876777 548995235 /nfs/dbraw/zinc/99/52/35/548995235.db2.gz ZRVDOYAFPUVJIA-RDJZCZTQSA-N 2 0 347.572 3.446 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CCSCC2)CC1 ZINC000675917782 549004491 /nfs/dbraw/zinc/00/44/91/549004491.db2.gz DOJBSBQIHJJKJN-UHFFFAOYSA-N 2 0 339.936 3.077 20 0 EGADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000676572177 549111605 /nfs/dbraw/zinc/11/16/05/549111605.db2.gz OMUXSXBKYAXTPQ-QUCCMNQESA-N 2 0 332.488 3.208 20 0 EGADRP CCc1oc2ccccc2c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678258868 549447807 /nfs/dbraw/zinc/44/78/07/549447807.db2.gz QDYIBTQKUOQRDR-KRWDZBQOSA-N 2 0 341.499 3.207 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000679718656 549768504 /nfs/dbraw/zinc/76/85/04/549768504.db2.gz DIKPXVOEIWHWOR-UHFFFAOYSA-N 2 0 346.906 3.005 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)Cc3ccsc3)CC2)CC1 ZINC000679989626 549801785 /nfs/dbraw/zinc/80/17/85/549801785.db2.gz SDOLFAACQBBVKV-KRWDZBQOSA-N 2 0 335.561 3.170 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000680352258 549854097 /nfs/dbraw/zinc/85/40/97/549854097.db2.gz MUCLSAGUBLXUOX-BURNTYAHSA-N 2 0 328.500 3.302 20 0 EGADRP Cc1ccc([C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CCC2)o1 ZINC000680465001 549868532 /nfs/dbraw/zinc/86/85/32/549868532.db2.gz MXKSJXDJFKFCFZ-PXNSSMCTSA-N 2 0 331.504 3.187 20 0 EGADRP Fc1ccc(COC2CC[NH+]([C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000682075058 550069173 /nfs/dbraw/zinc/06/91/73/550069173.db2.gz GBARTHNVTCAEDC-MOPGFXCFSA-N 2 0 332.463 3.434 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC000683471702 550232200 /nfs/dbraw/zinc/23/22/00/550232200.db2.gz CRCKUCSHNGVNFL-IOJLRTSASA-N 2 0 349.563 3.303 20 0 EGADRP c1c2ccccc2[nH]c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000684020623 550282733 /nfs/dbraw/zinc/28/27/33/550282733.db2.gz GFWVWVALKJUROF-UHFFFAOYSA-N 2 0 327.472 3.245 20 0 EGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000684836586 550374960 /nfs/dbraw/zinc/37/49/60/550374960.db2.gz OTZGAIOGKMXFND-IBGZPJMESA-N 2 0 348.450 3.384 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nccc2ccccc21 ZINC000685455912 550418261 /nfs/dbraw/zinc/41/82/61/550418261.db2.gz AVUVTCZLFNAUMS-LJQANCHMSA-N 2 0 340.515 3.083 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC000729351958 574845528 /nfs/dbraw/zinc/84/55/28/574845528.db2.gz YJFKHXCHHFBNTQ-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@](C)(O)c2ccccc2)C1 ZINC000733795977 575396607 /nfs/dbraw/zinc/39/66/07/575396607.db2.gz WLPMAKDIGNVROB-SVFBPWRDSA-N 2 0 330.516 3.481 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000687676935 1298121428 /nfs/dbraw/zinc/12/14/28/1298121428.db2.gz DYMXYFNEORAJJB-QBPKDAKJSA-N 2 0 339.524 3.190 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000695193341 1298157760 /nfs/dbraw/zinc/15/77/60/1298157760.db2.gz QWAZOQYJGNQSKU-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)(C)OC(=O)NCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000698111828 1298166689 /nfs/dbraw/zinc/16/66/89/1298166689.db2.gz KUCGIPXODUOVBF-SJORKVTESA-N 2 0 339.524 3.288 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000061070299 1291959260 /nfs/dbraw/zinc/95/92/60/1291959260.db2.gz IHZQSFBVMAXJPE-UHFFFAOYSA-N 2 0 341.474 3.253 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000062253051 1291984636 /nfs/dbraw/zinc/98/46/36/1291984636.db2.gz LZWXHQGTSGJVRY-OKILXGFUSA-N 2 0 328.859 3.458 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000062252861 1291984676 /nfs/dbraw/zinc/98/46/76/1291984676.db2.gz IHFLISZPNSRSAP-ROUUACIJSA-N 2 0 334.504 3.453 20 0 EGADRP Brc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000063197411 1292002865 /nfs/dbraw/zinc/00/28/65/1292002865.db2.gz QGJPHYMBZPWXCD-ZDUSSCGKSA-N 2 0 329.307 3.475 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000069748079 1292249155 /nfs/dbraw/zinc/24/91/55/1292249155.db2.gz WSGAFUCRFFNIGA-UHFFFAOYSA-N 2 0 341.499 3.276 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863693 1292389234 /nfs/dbraw/zinc/38/92/34/1292389234.db2.gz ORUILZOHLPYZPN-ICSRJNTNSA-N 2 0 335.536 3.055 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000075762965 1292409950 /nfs/dbraw/zinc/40/99/50/1292409950.db2.gz QBFKHMQDQALDJV-KRWDZBQOSA-N 2 0 343.437 3.067 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000077326848 1292459696 /nfs/dbraw/zinc/45/96/96/1292459696.db2.gz WKJXPCFHZDELCM-QGZVFWFLSA-N 2 0 344.330 3.355 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000828556739 1292474482 /nfs/dbraw/zinc/47/44/82/1292474482.db2.gz XAPHBNPWLIDYCB-INIZCTEOSA-N 2 0 348.362 3.061 20 0 EGADRP CC(C)c1noc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000089577803 1292772234 /nfs/dbraw/zinc/77/22/34/1292772234.db2.gz CBZVIKVCXJZQAV-HNNXBMFYSA-N 2 0 346.475 3.027 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@]2(O)CCc3ccccc32)CC1 ZINC000090779890 1292806370 /nfs/dbraw/zinc/80/63/70/1292806370.db2.gz KNKYUFRCXHJWAC-VOQZNFBZSA-N 2 0 342.527 3.453 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000105442527 1293037091 /nfs/dbraw/zinc/03/70/91/1293037091.db2.gz ISCFZBXSTPEROT-SFHVURJKSA-N 2 0 331.548 3.347 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000105442464 1293037478 /nfs/dbraw/zinc/03/74/78/1293037478.db2.gz XAVHSVILSKSDGW-GOSISDBHSA-N 2 0 325.500 3.203 20 0 EGADRP Cc1ccccc1-c1cccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000105465237 1293039439 /nfs/dbraw/zinc/03/94/39/1293039439.db2.gz PATFZPQCYMXETH-IBGZPJMESA-N 2 0 337.511 3.388 20 0 EGADRP CC(C)COc1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000106469517 1293049731 /nfs/dbraw/zinc/04/97/31/1293049731.db2.gz GXYDKOJWOMEPNY-UHFFFAOYSA-N 2 0 347.547 3.085 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1)[C@H](C)O ZINC000834889439 1293164971 /nfs/dbraw/zinc/16/49/71/1293164971.db2.gz XRQXUHKTIHFRSC-BXWFABGCSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C[NH+]1CCCC1 ZINC000120943034 1293347382 /nfs/dbraw/zinc/34/73/82/1293347382.db2.gz APTSSFQFCDPGII-XLIONFOSSA-N 2 0 332.488 3.066 20 0 EGADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1F ZINC000121895304 1293395067 /nfs/dbraw/zinc/39/50/67/1293395067.db2.gz RVFDRJMFAZRYHS-FQEVSTJZSA-N 2 0 334.479 3.447 20 0 EGADRP O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919338 1293783637 /nfs/dbraw/zinc/78/36/37/1293783637.db2.gz UVIGTHZCDGJDPI-XLIONFOSSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(F)c(Cl)c2)ccn1 ZINC000136217069 1293812130 /nfs/dbraw/zinc/81/21/30/1293812130.db2.gz BUJSVDBXJHOPAL-UHFFFAOYSA-N 2 0 337.826 3.104 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc3ccccc32)ccn1 ZINC000136229276 1293812454 /nfs/dbraw/zinc/81/24/54/1293812454.db2.gz QXNGBGPIVFRWIM-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000153426610 1294013306 /nfs/dbraw/zinc/01/33/06/1294013306.db2.gz YWTXGKJZFJJBNL-QFBILLFUSA-N 2 0 348.450 3.117 20 0 EGADRP CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155071552 1294083200 /nfs/dbraw/zinc/08/32/00/1294083200.db2.gz UTEBRXXHENVJHH-LJQANCHMSA-N 2 0 335.536 3.036 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000155878861 1294117485 /nfs/dbraw/zinc/11/74/85/1294117485.db2.gz DFNBSVWKSIXBHX-OAHLLOKOSA-N 2 0 346.906 3.004 20 0 EGADRP C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000156657892 1294154442 /nfs/dbraw/zinc/15/44/42/1294154442.db2.gz CYOFDQUDIOJJGI-ODIFPOPNSA-N 2 0 339.524 3.142 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000160078145 1294257004 /nfs/dbraw/zinc/25/70/04/1294257004.db2.gz PGSPXEVIEVDVKR-INIZCTEOSA-N 2 0 326.488 3.250 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000160186972 1294261657 /nfs/dbraw/zinc/26/16/57/1294261657.db2.gz XYRSQHLYKWRYLP-IAGOWNOFSA-N 2 0 340.515 3.496 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000161475925 1294293695 /nfs/dbraw/zinc/29/36/95/1294293695.db2.gz PONQFZWKSWRJNS-MEDUHNTESA-N 2 0 331.287 3.347 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000164604890 1294350813 /nfs/dbraw/zinc/35/08/13/1294350813.db2.gz KVCBYFVFQGIRMP-DBVUQKKJSA-N 2 0 343.515 3.052 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962100 1294534035 /nfs/dbraw/zinc/53/40/35/1294534035.db2.gz IASWOSXRMAXHBF-UYAOXDASSA-N 2 0 343.515 3.154 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000178411128 1294733266 /nfs/dbraw/zinc/73/32/66/1294733266.db2.gz KZWMVQHWRDYROG-KRWDZBQOSA-N 2 0 329.488 3.340 20 0 EGADRP O[C@H](C[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1ccsc1 ZINC000178977304 1294766211 /nfs/dbraw/zinc/76/62/11/1294766211.db2.gz BGJLANLAJVWFGC-LJQANCHMSA-N 2 0 330.497 3.283 20 0 EGADRP O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 ZINC000181138203 1294941809 /nfs/dbraw/zinc/94/18/09/1294941809.db2.gz DFQBFSLFENAOLC-HXUWFJFHSA-N 2 0 347.418 3.304 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCN2CCCC2)ccc1OC ZINC000182226019 1295028427 /nfs/dbraw/zinc/02/84/27/1295028427.db2.gz QWWGKZZYEWJCCP-QGZVFWFLSA-N 2 0 333.520 3.283 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000186696318 1295344129 /nfs/dbraw/zinc/34/41/29/1295344129.db2.gz BPCSZJDTBQXDNI-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000870956731 1296152806 /nfs/dbraw/zinc/15/28/06/1296152806.db2.gz GGXAQVTZJUWVKO-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000236761851 1296201524 /nfs/dbraw/zinc/20/15/24/1296201524.db2.gz CFPAMJPJLAWLCR-KRWDZBQOSA-N 2 0 339.524 3.240 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cccnc1C ZINC000236875040 1296210068 /nfs/dbraw/zinc/21/00/68/1296210068.db2.gz HVQDLEPXYNVEAS-UHFFFAOYSA-N 2 0 327.472 3.400 20 0 EGADRP Cn1cc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000237070694 1296219023 /nfs/dbraw/zinc/21/90/23/1296219023.db2.gz AOGMNHMWGDOITA-UHFFFAOYSA-N 2 0 334.467 3.439 20 0 EGADRP [NH3+]C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000237812044 1296266376 /nfs/dbraw/zinc/26/63/76/1296266376.db2.gz ZSKPKTDQVNSNOE-IBGZPJMESA-N 2 0 343.515 3.034 20 0 EGADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000245711000 1296320352 /nfs/dbraw/zinc/32/03/52/1296320352.db2.gz SYIBNEBKJGZYPV-GPMSIDNRSA-N 2 0 346.471 3.383 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)cc1C[NH+]1CCCCC1 ZINC000245982035 1296334054 /nfs/dbraw/zinc/33/40/54/1296334054.db2.gz BGRRRQYCDKIACZ-KFKAGJAMSA-N 2 0 332.488 3.245 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000248164367 1296406628 /nfs/dbraw/zinc/40/66/28/1296406628.db2.gz NIPFBUSOFKGTBW-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP Fc1ccc(Br)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261947420 1296609808 /nfs/dbraw/zinc/60/98/08/1296609808.db2.gz FOYXFXYYLVOEJJ-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000262508613 1296637146 /nfs/dbraw/zinc/63/71/46/1296637146.db2.gz MTQPOQYPUXUQBW-NEPJUHHUSA-N 2 0 344.286 3.239 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC(C)(C)Sc2ccccc21)CN1CC[NH+](C)CC1 ZINC000872031909 1296680379 /nfs/dbraw/zinc/68/03/79/1296680379.db2.gz OAWXCWMUURPHNS-AEFFLSMTSA-N 2 0 347.572 3.475 20 0 EGADRP CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156388 1296775776 /nfs/dbraw/zinc/77/57/76/1296775776.db2.gz IVTOOUAKGARGHV-FXAWDEMLSA-N 2 0 343.515 3.166 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000301962844 1296795240 /nfs/dbraw/zinc/79/52/40/1296795240.db2.gz PJCSGZDOROVGJZ-IXDOHACOSA-N 2 0 339.524 3.144 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592339 1297018233 /nfs/dbraw/zinc/01/82/33/1297018233.db2.gz NWTXIHNWLOBOJD-QFBILLFUSA-N 2 0 328.435 3.063 20 0 EGADRP CCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000873204395 1297349668 /nfs/dbraw/zinc/34/96/68/1297349668.db2.gz ABBCCKGAZVFOSM-NXHRZFHOSA-N 2 0 334.529 3.419 20 0 EGADRP CC[C@@H](O)C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873207701 1297353339 /nfs/dbraw/zinc/35/33/39/1297353339.db2.gz OHVASDUWNAIQDK-QGZVFWFLSA-N 2 0 330.497 3.167 20 0 EGADRP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)c2cc(F)ccc2C[NH2+]1 ZINC000873210366 1297355533 /nfs/dbraw/zinc/35/55/33/1297355533.db2.gz DAQGJCJWMYECOX-LBPRGKRZSA-N 2 0 331.460 3.031 20 0 EGADRP COc1ccc(-c2nc(C[NH2+][C@H](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000873218847 1297358274 /nfs/dbraw/zinc/35/82/74/1297358274.db2.gz AHYUDTUKPMXQPB-CYBMUJFWSA-N 2 0 331.485 3.296 20 0 EGADRP CCOc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cc1OC ZINC000873232147 1297372657 /nfs/dbraw/zinc/37/26/57/1297372657.db2.gz ADDBQCRMWRXQSH-IBGZPJMESA-N 2 0 332.488 3.496 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(Br)cs1 ZINC000873261677 1297394990 /nfs/dbraw/zinc/39/49/90/1297394990.db2.gz QHIFTMWOUXUITK-CHWFTXMASA-N 2 0 330.295 3.087 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc(Br)s1 ZINC000873263819 1297396988 /nfs/dbraw/zinc/39/69/88/1297396988.db2.gz KSNFMFFFNJZZHP-CHWFTXMASA-N 2 0 330.295 3.087 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000873278180 1297406353 /nfs/dbraw/zinc/40/63/53/1297406353.db2.gz ZYPIMXWWRPXSRC-DFQSSKMNSA-N 2 0 342.483 3.324 20 0 EGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290942 1297412909 /nfs/dbraw/zinc/41/29/09/1297412909.db2.gz CKWLFWDBKWLKTA-PBHICJAKSA-N 2 0 338.442 3.034 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(Br)cc1F)C1CC[NH+](C)CC1 ZINC000396455693 1297688198 /nfs/dbraw/zinc/68/81/98/1297688198.db2.gz MLMIKTAENTYAON-NSHDSACASA-N 2 0 329.257 3.408 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400460811 1297731766 /nfs/dbraw/zinc/73/17/66/1297731766.db2.gz UPFUGUICBMRWEL-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692151840 1298140560 /nfs/dbraw/zinc/14/05/60/1298140560.db2.gz NNKUDEQGDBYLBW-INIZCTEOSA-N 2 0 341.540 3.486 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC000692134107 1298140911 /nfs/dbraw/zinc/14/09/11/1298140911.db2.gz AAIVZIKVCWZFGH-DLBZAZTESA-N 2 0 339.524 3.240 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC000692134121 1298140965 /nfs/dbraw/zinc/14/09/65/1298140965.db2.gz AAIVZIKVCWZFGH-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP Cn1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000712485891 1298266359 /nfs/dbraw/zinc/26/63/59/1298266359.db2.gz AHLVPOQCOBNTMY-UHFFFAOYSA-N 2 0 332.879 3.075 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720814066 1298329249 /nfs/dbraw/zinc/32/92/49/1298329249.db2.gz DLQKXGFFFMTJFI-TZMRYXNNSA-N 2 0 328.500 3.444 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000746363543 1298576183 /nfs/dbraw/zinc/57/61/83/1298576183.db2.gz AVXHARDLVOIYQU-HNNXBMFYSA-N 2 0 332.517 3.438 20 0 EGADRP COC(=O)C1CCC([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000747100315 1298725933 /nfs/dbraw/zinc/72/59/33/1298725933.db2.gz VSUOVIFWBASXRU-UHFFFAOYSA-N 2 0 346.515 3.466 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876941559 1299077538 /nfs/dbraw/zinc/07/75/38/1299077538.db2.gz NSRRNDFBAGWMKH-HTJOGQSXSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000877267503 1299227757 /nfs/dbraw/zinc/22/77/57/1299227757.db2.gz XDBYJJTYZHSKJI-XLIONFOSSA-N 2 0 345.531 3.149 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000877451662 1299311162 /nfs/dbraw/zinc/31/11/62/1299311162.db2.gz LRRHOEATNSJHTJ-XLIONFOSSA-N 2 0 349.563 3.253 20 0 EGADRP CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000877481721 1299331624 /nfs/dbraw/zinc/33/16/24/1299331624.db2.gz QNFAJJABMPYKPV-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000877697264 1299488205 /nfs/dbraw/zinc/48/82/05/1299488205.db2.gz JSMRKYOFSQRGRD-UHFFFAOYSA-N 3 0 330.520 3.151 20 0 EGADRP CCC[C@@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000877745914 1299523492 /nfs/dbraw/zinc/52/34/92/1299523492.db2.gz DEUCSRVANSYWMG-FQEVSTJZSA-N 2 0 329.532 3.282 20 0 EGADRP Clc1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000878748433 1300172776 /nfs/dbraw/zinc/17/27/76/1300172776.db2.gz VEWGHQFMKALYBW-UHFFFAOYSA-N 2 0 337.254 3.496 20 0 EGADRP Cc1cccc(C(=O)NC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000879350144 1300496297 /nfs/dbraw/zinc/49/62/97/1300496297.db2.gz WDVZHLNIEVBPDN-FQEVSTJZSA-N 2 0 343.515 3.064 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000765349801 1302251373 /nfs/dbraw/zinc/25/13/73/1302251373.db2.gz NOHQOHFCKDMBKE-RCBQFDQVSA-N 2 0 330.394 3.059 20 0 EGADRP CC(C)(C)[NH+]1CCC(N[C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000883386626 1302425656 /nfs/dbraw/zinc/42/56/56/1302425656.db2.gz JVEDUQQKCXIMPU-LJQANCHMSA-N 2 0 326.488 3.477 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000769383918 1303102267 /nfs/dbraw/zinc/10/22/67/1303102267.db2.gz NXNKNQNTEWVPGJ-UHFFFAOYSA-N 2 0 345.531 3.220 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000886518686 1303484058 /nfs/dbraw/zinc/48/40/58/1303484058.db2.gz CMCVNQDZOJRMLY-HWOWSKLDSA-N 2 0 333.442 3.010 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000886522718 1303486002 /nfs/dbraw/zinc/48/60/02/1303486002.db2.gz PQKLUWMKLFCDJY-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000886605744 1303520220 /nfs/dbraw/zinc/52/02/20/1303520220.db2.gz XOXAYGUXAAAWOK-UHFFFAOYSA-N 2 0 348.560 3.499 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000886870385 1303621125 /nfs/dbraw/zinc/62/11/25/1303621125.db2.gz XHBISWHONMDAJJ-GOSISDBHSA-N 2 0 335.879 3.134 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cc[nH+]1 ZINC000775399849 1303956183 /nfs/dbraw/zinc/95/61/83/1303956183.db2.gz GHNIQIXZBZKGOX-KURKYZTESA-N 2 0 349.569 3.267 20 0 EGADRP Clc1ccc2c(c1)CC[C@H]2[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000777691487 1304335788 /nfs/dbraw/zinc/33/57/88/1304335788.db2.gz JFIIJZWJHPMYEE-LJQANCHMSA-N 2 0 334.891 3.372 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000889834040 1304601052 /nfs/dbraw/zinc/60/10/52/1304601052.db2.gz VEUMFEREZFFVQN-HXUWFJFHSA-N 2 0 343.515 3.203 20 0 EGADRP c1ccc2c(c1)CC[C@H]2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000780291889 1304673248 /nfs/dbraw/zinc/67/32/48/1304673248.db2.gz CSYMYNBGFYBLPX-IBGZPJMESA-N 2 0 328.500 3.293 20 0 EGADRP CC[NH+](CC)CCCC1CCN(CC(=O)Nc2ccc(O)cc2)CC1 ZINC000782526813 1304986317 /nfs/dbraw/zinc/98/63/17/1304986317.db2.gz DSMKKOWXGIXZEN-UHFFFAOYSA-N 2 0 347.503 3.165 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)CCCC[NH+]1CCCC1)[NH+](C)C ZINC000785635206 1305400456 /nfs/dbraw/zinc/40/04/56/1305400456.db2.gz MMSCHUZJZUQYQW-RXVVDRJESA-N 2 0 345.531 3.369 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000892574817 1305449300 /nfs/dbraw/zinc/44/93/00/1305449300.db2.gz NQTGNZTYAITGRH-ZWKOTPCHSA-N 2 0 334.504 3.060 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000893113869 1305713634 /nfs/dbraw/zinc/71/36/34/1305713634.db2.gz OFORDZGJXLGKPV-JRGCBEDISA-N 2 0 328.500 3.074 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)c(Cl)c1 ZINC000895297181 1309274670 /nfs/dbraw/zinc/27/46/70/1309274670.db2.gz VBUDFLOLTOTRRR-ZIAGYGMSSA-N 2 0 325.884 3.295 20 0 EGADRP C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793192801 1309316393 /nfs/dbraw/zinc/31/63/93/1309316393.db2.gz TURWDHVGLYIOJJ-SJLPKXTDSA-N 2 0 349.434 3.402 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC000796786567 1310087852 /nfs/dbraw/zinc/08/78/52/1310087852.db2.gz LOWAXBQZDOSKOA-UHFFFAOYSA-N 2 0 344.547 3.184 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000798958103 1310463399 /nfs/dbraw/zinc/46/33/99/1310463399.db2.gz MUMGJWIKIMEFAE-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000798956669 1310464016 /nfs/dbraw/zinc/46/40/16/1310464016.db2.gz JKRMGDRLVSCTNL-UHFFFAOYSA-N 2 0 332.488 3.320 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000898704501 1310828193 /nfs/dbraw/zinc/82/81/93/1310828193.db2.gz VJEYOBVVHYBTGX-RBUKOAKNSA-N 2 0 331.504 3.446 20 0 EGADRP CC1CC[NH+](CCCNC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000929431193 1328596716 /nfs/dbraw/zinc/59/67/16/1328596716.db2.gz UWKWPTDQXUHIOJ-UHFFFAOYSA-N 2 0 347.503 3.117 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001018999422 1316998918 /nfs/dbraw/zinc/99/89/18/1316998918.db2.gz RHZIYBYGCXYDRS-ICSRJNTNSA-N 2 0 345.531 3.087 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000957279645 1317258052 /nfs/dbraw/zinc/25/80/52/1317258052.db2.gz ZFXCXKZBLXKRTH-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000900466986 1317291515 /nfs/dbraw/zinc/29/15/15/1317291515.db2.gz XXKRKVAGTBTDFR-QPIRBTGLSA-N 2 0 335.536 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001019632516 1317311185 /nfs/dbraw/zinc/31/11/85/1317311185.db2.gz PNNSXTVVQHOJGG-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019816194 1317438592 /nfs/dbraw/zinc/43/85/92/1317438592.db2.gz UOAYPPQLZPOPPH-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000957560206 1317457828 /nfs/dbraw/zinc/45/78/28/1317457828.db2.gz UPWORGNQTKZTIH-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957605469 1317492951 /nfs/dbraw/zinc/49/29/51/1317492951.db2.gz DKGACLDCFDWMIP-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC000957617501 1317498998 /nfs/dbraw/zinc/49/89/98/1317498998.db2.gz OAVUFRLOUFJJOM-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621115 1317501679 /nfs/dbraw/zinc/50/16/79/1317501679.db2.gz YZWNDCDDJPNSDO-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000902372078 1317569400 /nfs/dbraw/zinc/56/94/00/1317569400.db2.gz QVIMHGMHMZVXQP-GJZGRUSLSA-N 2 0 330.394 3.107 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000902384684 1317571284 /nfs/dbraw/zinc/57/12/84/1317571284.db2.gz UUBDBAQJGXSPAI-FHERZECASA-N 2 0 347.469 3.160 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC2)C1 ZINC000902438349 1317578561 /nfs/dbraw/zinc/57/85/61/1317578561.db2.gz MVVAPTOEBYEXCF-NSGGIEJNSA-N 2 0 327.516 3.244 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CCC2CCC(F)(F)CC2)CC[NH2+]CC1 ZINC000902457977 1317580767 /nfs/dbraw/zinc/58/07/67/1317580767.db2.gz WFEVIMBJOOOQND-AWEZNQCLSA-N 2 0 346.462 3.113 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000957720795 1317588527 /nfs/dbraw/zinc/58/85/27/1317588527.db2.gz XGKYHKOWOKWJMR-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000902833029 1317622260 /nfs/dbraw/zinc/62/22/60/1317622260.db2.gz UMPVVPLZUWABOV-PZJWPPBQSA-N 2 0 346.515 3.081 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000957772454 1317635601 /nfs/dbraw/zinc/63/56/01/1317635601.db2.gz CGJLKFZSVXKELT-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957773043 1317637008 /nfs/dbraw/zinc/63/70/08/1317637008.db2.gz WCMMNIZGVBHDQM-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000957773062 1317637158 /nfs/dbraw/zinc/63/71/58/1317637158.db2.gz WYZUVXZIECDPTL-OAQYLSRUSA-N 2 0 345.531 3.044 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1)C(C)C ZINC000957773029 1317637169 /nfs/dbraw/zinc/63/71/69/1317637169.db2.gz WACUNEXARCEEIO-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1)C(C)C ZINC000957778226 1317642554 /nfs/dbraw/zinc/64/25/54/1317642554.db2.gz ZEYKHXTZFJUOMY-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1)[NH+]1CCCCC1 ZINC000957786298 1317645036 /nfs/dbraw/zinc/64/50/36/1317645036.db2.gz IFYPZSKXTAMJPS-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP FC(F)(F)c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903104173 1317653949 /nfs/dbraw/zinc/65/39/49/1317653949.db2.gz RJGJXXTWAKQLNZ-VGPLMAKISA-N 2 0 345.434 3.452 20 0 EGADRP COc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)OC)c1 ZINC000903206215 1317675325 /nfs/dbraw/zinc/67/53/25/1317675325.db2.gz PJWSDPLTPYYVSC-IVZBYUQCSA-N 2 0 330.472 3.130 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccn2)CC(C)C)cc1 ZINC000903575426 1317707333 /nfs/dbraw/zinc/70/73/33/1317707333.db2.gz OINNUOWAGWXZDO-GOSISDBHSA-N 2 0 327.472 3.291 20 0 EGADRP c1csc(C[C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000903565403 1317707677 /nfs/dbraw/zinc/70/76/77/1317707677.db2.gz JLLWLYXFZAZYJG-HNNXBMFYSA-N 2 0 327.497 3.244 20 0 EGADRP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725295 1317725774 /nfs/dbraw/zinc/72/57/74/1317725774.db2.gz ASIFAOTYLJAFNR-PWRODBHTSA-N 2 0 328.500 3.018 20 0 EGADRP Fc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903728760 1317725783 /nfs/dbraw/zinc/72/57/83/1317725783.db2.gz GGBZMHJNGDWQON-YJBOKZPZSA-N 2 0 336.426 3.260 20 0 EGADRP Fc1ccc(CC2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903727657 1317725797 /nfs/dbraw/zinc/72/57/97/1317725797.db2.gz WNQUFGMVTAQVHM-FQEVSTJZSA-N 2 0 346.490 3.239 20 0 EGADRP Fc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903728759 1317726363 /nfs/dbraw/zinc/72/63/63/1317726363.db2.gz GGBZMHJNGDWQON-QAPCUYQASA-N 2 0 336.426 3.260 20 0 EGADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731770 1317727117 /nfs/dbraw/zinc/72/71/17/1317727117.db2.gz CQUOXDDSDYGXKP-IPMKNSEASA-N 2 0 328.500 3.332 20 0 EGADRP Fc1ccccc1C[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766820 1317731376 /nfs/dbraw/zinc/73/13/76/1317731376.db2.gz BQOBDXHVMKITKX-RTBURBONSA-N 2 0 346.490 3.381 20 0 EGADRP C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783926 1317732860 /nfs/dbraw/zinc/73/28/60/1317732860.db2.gz HNISTYICJUZANR-WOJBJXKFSA-N 2 0 346.490 3.381 20 0 EGADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(C(C)C)cc2)cnn1C ZINC000903873780 1317740745 /nfs/dbraw/zinc/74/07/45/1317740745.db2.gz XLSNPSZFLNSHFF-SFHVURJKSA-N 2 0 328.504 3.101 20 0 EGADRP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903899151 1317745261 /nfs/dbraw/zinc/74/52/61/1317745261.db2.gz SVBSPIYFUICJBS-XLIONFOSSA-N 2 0 339.487 3.157 20 0 EGADRP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913074 1317747802 /nfs/dbraw/zinc/74/78/02/1317747802.db2.gz LEOOYMZUYYYOQQ-IDCXYZFESA-N 2 0 328.500 3.094 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H]([NH3+])CC(F)F ZINC000903921109 1317748793 /nfs/dbraw/zinc/74/87/93/1317748793.db2.gz NAUHTVKNFGKBPK-WMLDXEAASA-N 3 0 325.447 3.133 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnc([C@H](C)O)s2)CC1 ZINC000809625533 1317849849 /nfs/dbraw/zinc/84/98/49/1317849849.db2.gz JNYZZGZZSMWDGQ-AWEZNQCLSA-N 2 0 325.522 3.044 20 0 EGADRP C[C@@H](CCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[NH+]1CCCCC1 ZINC000904588741 1317866928 /nfs/dbraw/zinc/86/69/28/1317866928.db2.gz WPYXFHWVXMGJCY-HNNXBMFYSA-N 2 0 332.492 3.266 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000904666548 1317879269 /nfs/dbraw/zinc/87/92/69/1317879269.db2.gz UPRGKJBGPLNRHC-UHFFFAOYSA-N 2 0 338.455 3.063 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)Nc2ccccc2C[NH3+])[NH+](C)C)cc1 ZINC000904667238 1317879718 /nfs/dbraw/zinc/87/97/18/1317879718.db2.gz XRODOYITDIUSJE-LJQANCHMSA-N 2 0 340.471 3.132 20 0 EGADRP Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)C)ccc2c[nH+]cn21 ZINC001021302461 1318178668 /nfs/dbraw/zinc/17/86/68/1318178668.db2.gz JTLYJMLTZAYQMJ-ALOPSCKCSA-N 2 0 340.471 3.024 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001021380438 1318223509 /nfs/dbraw/zinc/22/35/09/1318223509.db2.gz GNHTZICWBXVEMT-VOBGVNJCSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021380634 1318223629 /nfs/dbraw/zinc/22/36/29/1318223629.db2.gz NWJNVNCQHIDLMB-OOKSDGMUSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021399700 1318232755 /nfs/dbraw/zinc/23/27/55/1318232755.db2.gz OVJWCDGULJVLQK-NXEWRWPSSA-N 2 0 347.547 3.161 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000812456356 1318395401 /nfs/dbraw/zinc/39/54/01/1318395401.db2.gz CNTMPYNLJYBIHQ-KRWDZBQOSA-N 2 0 348.535 3.010 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21)C1CCC1 ZINC001021604083 1318449867 /nfs/dbraw/zinc/44/98/67/1318449867.db2.gz AWUMLHCDIRNACI-MJGOQNOKSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](CC)C[C@H]2C)cc1 ZINC000910280067 1318593248 /nfs/dbraw/zinc/59/32/48/1318593248.db2.gz OXQBVWAFNLMBIE-QGZVFWFLSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)Cc1ccc([C@@H](CNC(=O)C2([NH+](C)C)CCC2)[NH+](C)C)cc1 ZINC000813753225 1318626478 /nfs/dbraw/zinc/62/64/78/1318626478.db2.gz WVJLOYLAJJEYEE-LJQANCHMSA-N 2 0 345.531 3.088 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001021906884 1318726891 /nfs/dbraw/zinc/72/68/91/1318726891.db2.gz ZZLRKAQZRXEJFE-DUBPFDJUSA-N 2 0 349.563 3.170 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022071562 1318787985 /nfs/dbraw/zinc/78/79/85/1318787985.db2.gz TYVLJORJSXKZGK-PNYFIKQUSA-N 2 0 343.515 3.166 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001022081419 1318791852 /nfs/dbraw/zinc/79/18/52/1318791852.db2.gz FEVAHRMZGXGKKO-GBESFXJTSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC000960686920 1318792726 /nfs/dbraw/zinc/79/27/26/1318792726.db2.gz JKDAGFFSQPVSGD-MOPGFXCFSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001022164794 1318825561 /nfs/dbraw/zinc/82/55/61/1318825561.db2.gz PVACDQSJCZYXPP-YRPNKDGESA-N 2 0 343.515 3.249 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001022341861 1318901411 /nfs/dbraw/zinc/90/14/11/1318901411.db2.gz PEGCZICEZBWQBT-CALCHBBNSA-N 2 0 340.471 3.073 20 0 EGADRP Cc1nn(C)c2nc(Cl)c(C[NH2+]CCCCC[NH+]3CCCC3)cc12 ZINC000815150636 1318913146 /nfs/dbraw/zinc/91/31/46/1318913146.db2.gz CSHBSDQTOVJNQX-UHFFFAOYSA-N 2 0 349.910 3.286 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)ccc1OC ZINC000858562755 1328796098 /nfs/dbraw/zinc/79/60/98/1328796098.db2.gz MIRAOQSTFHQFSX-HNNXBMFYSA-N 2 0 343.471 3.488 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001022493078 1318962896 /nfs/dbraw/zinc/96/28/96/1318962896.db2.gz MQQJOAHNYYWGHY-ZCNNSNEGSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022807261 1319118792 /nfs/dbraw/zinc/11/87/92/1319118792.db2.gz GKTGHPHPDFVWIM-IJXRJRJASA-N 2 0 343.515 3.247 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC001022806820 1319118890 /nfs/dbraw/zinc/11/88/90/1319118890.db2.gz BCFDIZLVXKEJEA-TUEWSUPBSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001022809444 1319120662 /nfs/dbraw/zinc/12/06/62/1319120662.db2.gz MHWZEYGWWFBXFU-BWPNAZKDSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1)CC1CCCCC1 ZINC000961027547 1319148371 /nfs/dbraw/zinc/14/83/71/1319148371.db2.gz NRCRGTBSPYHACY-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000961031130 1319154515 /nfs/dbraw/zinc/15/45/15/1319154515.db2.gz IYMNMGMNYIJLPY-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961235185 1319369953 /nfs/dbraw/zinc/36/99/53/1319369953.db2.gz VTTAOYIVFLBXDC-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817894816 1319453599 /nfs/dbraw/zinc/45/35/99/1319453599.db2.gz QDVGWETYHHLUDS-VAMGGRTRSA-N 2 0 326.440 3.242 20 0 EGADRP C[C@H](O)c1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817896225 1319455556 /nfs/dbraw/zinc/45/55/56/1319455556.db2.gz ZPJQLTTYIRCBPR-ZRCAFCQKSA-N 2 0 338.451 3.085 20 0 EGADRP O=C(CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OCc1ccccc1 ZINC000817922097 1319461143 /nfs/dbraw/zinc/46/11/43/1319461143.db2.gz PVFRMBZFGFDSGP-XUVXKRRUSA-N 2 0 344.499 3.410 20 0 EGADRP OC1(c2cccnc2)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000817925234 1319462839 /nfs/dbraw/zinc/46/28/39/1319462839.db2.gz SUWFTOKWWHHVME-COPLXBQBSA-N 2 0 343.515 3.112 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817946175 1319472077 /nfs/dbraw/zinc/47/20/77/1319472077.db2.gz SYYAFYOKUDTPAE-ZWKOTPCHSA-N 2 0 345.531 3.331 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)cc1 ZINC000817948020 1319473589 /nfs/dbraw/zinc/47/35/89/1319473589.db2.gz IKDAGCSXQMKWBR-UHFFFAOYSA-N 2 0 345.437 3.225 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1Cn1cccn1 ZINC000817958991 1319477647 /nfs/dbraw/zinc/47/76/47/1319477647.db2.gz AALOVWRPPVLPQZ-KVSKMBFKSA-N 2 0 342.487 3.108 20 0 EGADRP Cc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)sc2nc(C)nc(C)c12 ZINC000915681868 1319519402 /nfs/dbraw/zinc/51/94/02/1319519402.db2.gz GNBOQJUMGWSYDC-CABCVRRESA-N 2 0 330.501 3.333 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961377794 1319534340 /nfs/dbraw/zinc/53/43/40/1319534340.db2.gz ZYZJPKLBFNKLGI-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961377796 1319535196 /nfs/dbraw/zinc/53/51/96/1319535196.db2.gz ZYZJPKLBFNKLGI-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961378547 1319536929 /nfs/dbraw/zinc/53/69/29/1319536929.db2.gz OGEOBOQICZPEPZ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(NC[C@H]1CCC[N@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466392 1319565428 /nfs/dbraw/zinc/56/54/28/1319565428.db2.gz BYXDBIDPGFUDPE-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489898 1319594466 /nfs/dbraw/zinc/59/44/66/1319594466.db2.gz NNQPBZXUZKXWTL-INIZCTEOSA-N 2 0 342.487 3.212 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000818984333 1319605956 /nfs/dbraw/zinc/60/59/56/1319605956.db2.gz DYGNQCNOOUXBTQ-GOSISDBHSA-N 2 0 348.874 3.104 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)c3cccc(F)c3)CC2)CC1 ZINC000819187738 1319661999 /nfs/dbraw/zinc/66/19/99/1319661999.db2.gz RDTGAWYDFQYADC-MHJFOBGBSA-N 2 0 334.479 3.492 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000819228631 1319675597 /nfs/dbraw/zinc/67/55/97/1319675597.db2.gz VJLPCKUFSATNBF-MRXNPFEDSA-N 2 0 344.421 3.450 20 0 EGADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000819333259 1319701576 /nfs/dbraw/zinc/70/15/76/1319701576.db2.gz HWEIJSBNHSWEPE-KRWDZBQOSA-N 2 0 328.859 3.368 20 0 EGADRP O=C(C[NH+]1CCCCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000916984712 1319731813 /nfs/dbraw/zinc/73/18/13/1319731813.db2.gz LGXRTCSRXAXCQH-UHFFFAOYSA-N 2 0 343.515 3.165 20 0 EGADRP O=C(NC1CC(C[NH2+]CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000961927812 1319776191 /nfs/dbraw/zinc/77/61/91/1319776191.db2.gz VBEKRIKEMUFQBH-QLOJAFMTSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000820829205 1319964255 /nfs/dbraw/zinc/96/42/55/1319964255.db2.gz GMCXNRXMOZVZJS-QRWLVFNGSA-N 2 0 330.447 3.446 20 0 EGADRP COc1cccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)c21 ZINC000820836066 1319965464 /nfs/dbraw/zinc/96/54/64/1319965464.db2.gz JMCOBRJEDSZPTK-ZNXRZULTSA-N 2 0 339.483 3.466 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823742060 1320203148 /nfs/dbraw/zinc/20/31/48/1320203148.db2.gz HMAAXGBXNUKBBG-HRCADAONSA-N 2 0 327.513 3.094 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)CC1 ZINC000825762208 1320361427 /nfs/dbraw/zinc/36/14/27/1320361427.db2.gz DXUFCIQPELVHPW-HXUWFJFHSA-N 2 0 344.499 3.162 20 0 EGADRP COC(=O)C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000839553143 1320936973 /nfs/dbraw/zinc/93/69/73/1320936973.db2.gz NQPXMWXKHFHXIC-IBGZPJMESA-N 2 0 330.472 3.104 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(CC[NH3+])cc3)CC2)C1 ZINC000841032444 1321204620 /nfs/dbraw/zinc/20/46/20/1321204620.db2.gz SZRQTDBJQJLJRY-LAUBAEHRSA-N 3 0 329.532 3.321 20 0 EGADRP COc1cccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1OC(F)F ZINC000841036678 1321205914 /nfs/dbraw/zinc/20/59/14/1321205914.db2.gz SGIOSFYXCSHSEO-UHFFFAOYSA-N 2 0 336.382 3.088 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000841817658 1321318696 /nfs/dbraw/zinc/31/86/96/1321318696.db2.gz QZEGLWZXQSLYFV-FAEJEUNOSA-N 2 0 346.519 3.027 20 0 EGADRP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000842472412 1321393144 /nfs/dbraw/zinc/39/31/44/1321393144.db2.gz YALRFQPGRFIYTE-DNVCBOLYSA-N 2 0 336.907 3.475 20 0 EGADRP CC(C)n1ncc2cc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)c(Cl)nc21 ZINC000843053473 1321462453 /nfs/dbraw/zinc/46/24/53/1321462453.db2.gz YKFNOUKOGKQZSC-GFCCVEGCSA-N 2 0 335.883 3.225 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2nc([C@@H]([NH3+])C(C)C)no2)cc1 ZINC000843150994 1321478910 /nfs/dbraw/zinc/47/89/10/1321478910.db2.gz LZQTUSDJKJYZLJ-INIZCTEOSA-N 2 0 332.448 3.113 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000843341579 1321502139 /nfs/dbraw/zinc/50/21/39/1321502139.db2.gz VMLGUVUOJBWXSH-FNAHDJPLSA-N 2 0 336.479 3.365 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000843339800 1321502264 /nfs/dbraw/zinc/50/22/64/1321502264.db2.gz DGPUHJSZWZEUFO-QQHRNGFRSA-N 2 0 329.271 3.005 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000843344344 1321503024 /nfs/dbraw/zinc/50/30/24/1321503024.db2.gz WLEGZNDZZYRZSY-QZTJIDSGSA-N 2 0 347.503 3.413 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000843353280 1321504079 /nfs/dbraw/zinc/50/40/79/1321504079.db2.gz WQOMKJDOAFGOEO-UHFFFAOYSA-N 2 0 340.467 3.103 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000843354081 1321505070 /nfs/dbraw/zinc/50/50/70/1321505070.db2.gz WAYVSXRJQSAOCN-ZLPCBKJTSA-N 2 0 339.483 3.219 20 0 EGADRP C[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843354744 1321505579 /nfs/dbraw/zinc/50/55/79/1321505579.db2.gz GBFQPLFQOUWDHJ-MQBCKMQZSA-N 2 0 337.533 3.153 20 0 EGADRP C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)C1CCC([NH3+])CC1 ZINC000843355413 1321505638 /nfs/dbraw/zinc/50/56/38/1321505638.db2.gz NPXRNXQNINFFTR-GZNCHQMQSA-N 2 0 343.515 3.236 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1cccc(Br)c1 ZINC000843360231 1321506375 /nfs/dbraw/zinc/50/63/75/1321506375.db2.gz IEUIOBOOCZRCBV-GOOCMWNKSA-N 2 0 339.277 3.172 20 0 EGADRP COc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1SC(F)(F)F ZINC000843362893 1321506878 /nfs/dbraw/zinc/50/68/78/1321506878.db2.gz UIBOTWRBGIHHAK-PWSUYJOCSA-N 2 0 334.407 3.476 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000844175116 1321576131 /nfs/dbraw/zinc/57/61/31/1321576131.db2.gz ADDIFACTLVCKFQ-HXUWFJFHSA-N 2 0 343.515 3.156 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848880460 1322027038 /nfs/dbraw/zinc/02/70/38/1322027038.db2.gz FJNHUYFDQXVJSG-HJWRWDBZSA-N 2 0 334.460 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000849051076 1322058912 /nfs/dbraw/zinc/05/89/12/1322058912.db2.gz VZFWFIKEKQZGNG-ZDUSSCGKSA-N 2 0 344.381 3.396 20 0 EGADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000849071030 1322066020 /nfs/dbraw/zinc/06/60/20/1322066020.db2.gz HYWIOWHLAHURTD-UHFFFAOYSA-N 2 0 332.370 3.300 20 0 EGADRP [NH2+]=C(NCCC[NH+]1CCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082604 1322070976 /nfs/dbraw/zinc/07/09/76/1322070976.db2.gz IIJAKASEQORBFV-UHFFFAOYSA-N 2 0 330.354 3.007 20 0 EGADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091302 1322074803 /nfs/dbraw/zinc/07/48/03/1322074803.db2.gz UDLCQLPHSLVLLY-AWEZNQCLSA-N 2 0 342.409 3.051 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849116077 1322083880 /nfs/dbraw/zinc/08/38/80/1322083880.db2.gz JSPVJPZXSYDCRR-GFCCVEGCSA-N 2 0 344.381 3.253 20 0 EGADRP COc1cncc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000850227093 1322210523 /nfs/dbraw/zinc/21/05/23/1322210523.db2.gz WRZJBMXKPZKWFU-MJGOQNOKSA-N 2 0 339.483 3.481 20 0 EGADRP Clc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000850362976 1322234630 /nfs/dbraw/zinc/23/46/30/1322234630.db2.gz XMKAOROOHGPDKZ-UHFFFAOYSA-N 2 0 330.863 3.132 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc2c(c1)CCCO2 ZINC000850445408 1322250597 /nfs/dbraw/zinc/25/05/97/1322250597.db2.gz CUKDUXJPFKHVEX-RYGJVYDSSA-N 2 0 344.499 3.040 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000850557104 1322265591 /nfs/dbraw/zinc/26/55/91/1322265591.db2.gz NACFQOYXNNFQBA-XFBWCDHKSA-N 2 0 331.287 3.347 20 0 EGADRP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000921696145 1322379922 /nfs/dbraw/zinc/37/99/22/1322379922.db2.gz GHWKHOMYQRZAOK-QUCCMNQESA-N 2 0 348.556 3.407 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000921979537 1322434218 /nfs/dbraw/zinc/43/42/18/1322434218.db2.gz FYVTXIFIMSTXHI-XUVXKRRUSA-N 2 0 348.556 3.407 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000922844588 1322631353 /nfs/dbraw/zinc/63/13/53/1322631353.db2.gz FRVKNMKVHJSOMW-UHFFFAOYSA-N 2 0 334.533 3.109 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000922846940 1322631490 /nfs/dbraw/zinc/63/14/90/1322631490.db2.gz HPXYJRNZXIRXAC-UHFFFAOYSA-N 2 0 325.456 3.437 20 0 EGADRP CC(C)c1ccc(OC2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923307623 1322730008 /nfs/dbraw/zinc/73/00/08/1322730008.db2.gz YQCHSENHIVDQIP-HXUWFJFHSA-N 2 0 344.499 3.032 20 0 EGADRP O=C(CC1CCCCC1)N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923312848 1322731554 /nfs/dbraw/zinc/73/15/54/1322731554.db2.gz QWNSFPDYQDXFNS-IHWFROFDSA-N 2 0 347.547 3.022 20 0 EGADRP [NH3+]CC[C@H]1CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000923482791 1322759762 /nfs/dbraw/zinc/75/97/62/1322759762.db2.gz UOYIZPMBYVXLMS-QFBILLFUSA-N 2 0 348.450 3.497 20 0 EGADRP [NH3+]CC[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000923485242 1322760530 /nfs/dbraw/zinc/76/05/30/1322760530.db2.gz RJSGMIXPBAJZPH-HNAYVOBHSA-N 2 0 341.430 3.176 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024024073 1323081848 /nfs/dbraw/zinc/08/18/48/1323081848.db2.gz SLFGCQIYAMZZPH-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924630223 1323083573 /nfs/dbraw/zinc/08/35/73/1323083573.db2.gz ZPDMNPBYDUWMEY-MRXNPFEDSA-N 2 0 338.927 3.192 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cnnn1C ZINC000924637146 1323086773 /nfs/dbraw/zinc/08/67/73/1323086773.db2.gz ZDHNWXWWBSAKGX-MRXNPFEDSA-N 2 0 349.482 3.395 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000924679575 1323110026 /nfs/dbraw/zinc/11/00/26/1323110026.db2.gz LDDIOLGRHLADKP-MBOZVWFJSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnnn1-c1ccccc1 ZINC000924688273 1323113625 /nfs/dbraw/zinc/11/36/25/1323113625.db2.gz SIWBMPOEEPZUHF-ZWKOTPCHSA-N 2 0 341.503 3.430 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000963158235 1323220101 /nfs/dbraw/zinc/22/01/01/1323220101.db2.gz VKBYXZRUWXVYDX-MHJFOBGBSA-N 2 0 349.563 3.410 20 0 EGADRP COc1ccnc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000924941520 1323223162 /nfs/dbraw/zinc/22/31/62/1323223162.db2.gz XZNQEHVWNBASEP-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1csc2ccccc12)CN1CC[NH+](C)CC1 ZINC000924947782 1323224291 /nfs/dbraw/zinc/22/42/91/1323224291.db2.gz AWUUGPQMENXTIY-HZPDHXFCSA-N 2 0 331.529 3.435 20 0 EGADRP FC(F)(F)c1cccc([C@@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)c1 ZINC000852750022 1323235873 /nfs/dbraw/zinc/23/58/73/1323235873.db2.gz LLRPERUKVGLJLT-ZBFHGGJFSA-N 2 0 340.389 3.016 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925071542 1323266699 /nfs/dbraw/zinc/26/66/99/1323266699.db2.gz PXFYRLZSAHJCAN-ZYSHUDEJSA-N 2 0 331.504 3.046 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024436881 1323395065 /nfs/dbraw/zinc/39/50/65/1323395065.db2.gz JIXNFMAETFKUSO-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436438 1323396329 /nfs/dbraw/zinc/39/63/29/1323396329.db2.gz DCEYSOYWWKEORF-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CCC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479770 1323433185 /nfs/dbraw/zinc/43/31/85/1323433185.db2.gz PHDXLJAQGZDTMP-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692585 1323609698 /nfs/dbraw/zinc/60/96/98/1323609698.db2.gz PDIPITZFBGLUAJ-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711281 1323618219 /nfs/dbraw/zinc/61/82/19/1323618219.db2.gz IPNVLHURFZIHPW-RBUKOAKNSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711284 1323619525 /nfs/dbraw/zinc/61/95/25/1323619525.db2.gz IPNVLHURFZIHPW-RTBURBONSA-N 2 0 349.494 3.081 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CC2)c1 ZINC001024811456 1323713503 /nfs/dbraw/zinc/71/35/03/1323713503.db2.gz UHCSNSQUIJGDCK-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024812195 1323716340 /nfs/dbraw/zinc/71/63/40/1323716340.db2.gz KCHBLGYAJPCIJE-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024979674 1323811137 /nfs/dbraw/zinc/81/11/37/1323811137.db2.gz VOMDTLYXKWTTQY-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024978895 1323811461 /nfs/dbraw/zinc/81/14/61/1323811461.db2.gz JCXIBZSCCRZPMG-MSOLQXFVSA-N 2 0 349.544 3.093 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025056430 1323860307 /nfs/dbraw/zinc/86/03/07/1323860307.db2.gz OFMJXPRLNSEHOG-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433963 1329117022 /nfs/dbraw/zinc/11/70/22/1329117022.db2.gz LEGJAVUSOXQEMF-AYOQOUSVSA-N 2 0 337.467 3.050 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001025073966 1323875243 /nfs/dbraw/zinc/87/52/43/1323875243.db2.gz YHZPQECRHFVUHH-VQTJNVASSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001025073264 1323875555 /nfs/dbraw/zinc/87/55/55/1323875555.db2.gz CJXBOYKFKBBQAA-RBUKOAKNSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC001025087634 1323886555 /nfs/dbraw/zinc/88/65/55/1323886555.db2.gz IUNHJPOUAAZXBR-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000931466660 1329124931 /nfs/dbraw/zinc/12/49/31/1329124931.db2.gz FMZBMRIZUNXSRG-GJZGRUSLSA-N 2 0 334.426 3.294 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239182 1324031532 /nfs/dbraw/zinc/03/15/32/1324031532.db2.gz CJOOBCVKUPTEAQ-ROUUACIJSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240668 1324033870 /nfs/dbraw/zinc/03/38/70/1324033870.db2.gz PZWUUIJXABAYDN-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CC2CCC2)CCC1 ZINC001025240854 1324034998 /nfs/dbraw/zinc/03/49/98/1324034998.db2.gz RNMFSEQNITYLBK-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CCC2CC2)CCC1 ZINC001025241100 1324036593 /nfs/dbraw/zinc/03/65/93/1324036593.db2.gz UPDZQGNMADLZGA-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025241577 1324036718 /nfs/dbraw/zinc/03/67/18/1324036718.db2.gz YRDJQYLHNFEPPL-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025243743 1324040906 /nfs/dbraw/zinc/04/09/06/1324040906.db2.gz QNXBGPFFKZPPRF-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259055 1324069417 /nfs/dbraw/zinc/06/94/17/1324069417.db2.gz NDJDLUBJYGWOTI-ZWKOTPCHSA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279534 1324101975 /nfs/dbraw/zinc/10/19/75/1324101975.db2.gz DDUZLFDXFOTTQM-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293897 1324121814 /nfs/dbraw/zinc/12/18/14/1324121814.db2.gz GMOORCAAQBBHBI-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001025295673 1324126492 /nfs/dbraw/zinc/12/64/92/1324126492.db2.gz QAJGRPSYOYHGGN-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001025469496 1324315719 /nfs/dbraw/zinc/31/57/19/1324315719.db2.gz PZZNVELNBLXLTI-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001025521660 1324366135 /nfs/dbraw/zinc/36/61/35/1324366135.db2.gz DWXWUQGKOGYFFQ-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586080 1324427010 /nfs/dbraw/zinc/42/70/10/1324427010.db2.gz VUGRMILCSFXKNZ-QUCCMNQESA-N 2 0 349.563 3.290 20 0 EGADRP CC1(C)CC(C[NH2+]C2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001026521855 1324865619 /nfs/dbraw/zinc/86/56/19/1324865619.db2.gz BBPHBLNRECIHNJ-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1nonc1[C@@H](C)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925135531 1325059460 /nfs/dbraw/zinc/05/94/60/1325059460.db2.gz XSDQBUAJNSTGNK-CQSZACIVSA-N 2 0 340.427 3.454 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001026916896 1325080213 /nfs/dbraw/zinc/08/02/13/1325080213.db2.gz QZPNEWFBJWSOFK-FXAWDEMLSA-N 2 0 345.531 3.088 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026920645 1325084214 /nfs/dbraw/zinc/08/42/14/1325084214.db2.gz GBQZATRUOJVAMT-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026935005 1325090610 /nfs/dbraw/zinc/09/06/10/1325090610.db2.gz GVWWPCOKXZSYAD-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(C[NH+](C)C)c1 ZINC000925259925 1325101920 /nfs/dbraw/zinc/10/19/20/1325101920.db2.gz YGNOWBCJVATBMN-QAPCUYQASA-N 2 0 342.462 3.212 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(C[NH+](C)C)c1 ZINC000925259923 1325102178 /nfs/dbraw/zinc/10/21/78/1325102178.db2.gz YGNOWBCJVATBMN-MAUKXSAKSA-N 2 0 342.462 3.212 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347067 1325137535 /nfs/dbraw/zinc/13/75/35/1325137535.db2.gz NOUYAGKYSFUBMX-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C(=O)N1CCCC1 ZINC000925417262 1325146266 /nfs/dbraw/zinc/14/62/66/1325146266.db2.gz FXHLSMSORAHXSA-LPHOPBHVSA-N 2 0 331.504 3.046 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027015063 1325154831 /nfs/dbraw/zinc/15/48/31/1325154831.db2.gz XOUXRVQEHXJZOY-PMACEKPBSA-N 2 0 347.547 3.047 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)N(C)C)c1 ZINC000925493050 1325175522 /nfs/dbraw/zinc/17/55/22/1325175522.db2.gz JQWVAWCYYZGGHO-SFTDATJTSA-N 2 0 341.499 3.368 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506092 1325182078 /nfs/dbraw/zinc/18/20/78/1325182078.db2.gz XMGQDKJIHXVWQH-DTXWBZGDSA-N 2 0 327.516 3.331 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925512975 1325185593 /nfs/dbraw/zinc/18/55/93/1325185593.db2.gz GOLJJFGJUXWVSN-QZTJIDSGSA-N 2 0 333.907 3.164 20 0 EGADRP Cn1c2ccc(F)cc2nc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925567085 1325212942 /nfs/dbraw/zinc/21/29/42/1325212942.db2.gz ATOARDNUJTUZQA-INIZCTEOSA-N 2 0 326.419 3.282 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4C[C@H]([NH3+])C4)n3)cc2)CC1 ZINC000854144921 1325218787 /nfs/dbraw/zinc/21/87/87/1325218787.db2.gz MLADLJFYURNIRC-QAQDUYKDSA-N 2 0 326.444 3.173 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963421348 1325230473 /nfs/dbraw/zinc/23/04/73/1325230473.db2.gz QMTNYMJWPAOUQR-FAFZWHIHSA-N 2 0 335.536 3.163 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426408 1325234078 /nfs/dbraw/zinc/23/40/78/1325234078.db2.gz AHQLDONPQMVHTN-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631698 1325239967 /nfs/dbraw/zinc/23/99/67/1325239967.db2.gz WPLRNXPEPGPXTD-BAGBSZHRSA-N 2 0 339.886 3.202 20 0 EGADRP FC(F)(F)C1CC[NH+](C2CC(N[C@H]3CC[NH2+]C34CCCC4)C2)CC1 ZINC000925664255 1325254415 /nfs/dbraw/zinc/25/44/15/1325254415.db2.gz XIAAVGZTKYALEG-GPANFISMSA-N 2 0 345.453 3.056 20 0 EGADRP c1cc2c(s1)CCC[C@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809245 1325311519 /nfs/dbraw/zinc/31/15/19/1325311519.db2.gz OQORHLGRWYOBOP-LJQANCHMSA-N 2 0 341.524 3.321 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)O1 ZINC000925833414 1325321136 /nfs/dbraw/zinc/32/11/36/1325321136.db2.gz ISSSWBFWIMXXJN-WCVJEAGWSA-N 2 0 334.426 3.244 20 0 EGADRP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)n1 ZINC000925874461 1325338690 /nfs/dbraw/zinc/33/86/90/1325338690.db2.gz ZNAABCOYKYXEMF-YYIAUSFCSA-N 2 0 332.492 3.026 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(Br)n1 ZINC000926311475 1325512152 /nfs/dbraw/zinc/51/21/52/1325512152.db2.gz YNERPQRCGYXHLF-LBPRGKRZSA-N 2 0 338.293 3.369 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(-c2ccccc2)no1 ZINC000926356059 1325525099 /nfs/dbraw/zinc/52/50/99/1325525099.db2.gz CQJKKWPURIDYID-MRXNPFEDSA-N 2 0 342.487 3.018 20 0 EGADRP C[N@H+](CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000926557327 1327616580 /nfs/dbraw/zinc/61/65/80/1327616580.db2.gz BIDYNZIDHPTETM-INIZCTEOSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(Br)n1 ZINC000926605966 1327633632 /nfs/dbraw/zinc/63/36/32/1327633632.db2.gz GIDMIVWTKPTQRN-PNESKVBLSA-N 2 0 326.282 3.368 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027433276 1327671183 /nfs/dbraw/zinc/67/11/83/1327671183.db2.gz VXFBVVCIOZIALJ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441218 1327681317 /nfs/dbraw/zinc/68/13/17/1327681317.db2.gz BILNJZZRGPZUIM-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCC1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442337 1327682772 /nfs/dbraw/zinc/68/27/72/1327682772.db2.gz DLXWBYOCUORZHL-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC001027445085 1327684530 /nfs/dbraw/zinc/68/45/30/1327684530.db2.gz ZMUGKUAVKBIPMQ-WOJBJXKFSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000926790136 1327719259 /nfs/dbraw/zinc/71/92/59/1327719259.db2.gz HDFZUOWDVDYCHZ-KRWDZBQOSA-N 2 0 341.503 3.428 20 0 EGADRP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n(C)n1 ZINC000927040075 1327827659 /nfs/dbraw/zinc/82/76/59/1327827659.db2.gz WKOBEOPXUNCOCZ-QXWDQEIOSA-N 2 0 344.547 3.436 20 0 EGADRP CC(C)[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000927070411 1327840045 /nfs/dbraw/zinc/84/00/45/1327840045.db2.gz ZWQLXLZESJYOBM-UZLBHIALSA-N 2 0 344.503 3.408 20 0 EGADRP CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542505 1327844928 /nfs/dbraw/zinc/84/49/28/1327844928.db2.gz MEQSKXLLTUKJMS-RBUKOAKNSA-N 2 0 335.536 3.116 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555069 1327861768 /nfs/dbraw/zinc/86/17/68/1327861768.db2.gz CHCAJWDTPICVQW-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCC3)C2)cc1 ZINC001027614974 1327977763 /nfs/dbraw/zinc/97/77/63/1327977763.db2.gz JSRCYLLJNSBENQ-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CCC3CC3)C2)cc1 ZINC001027615299 1327978956 /nfs/dbraw/zinc/97/89/56/1327978956.db2.gz SBLRJIPLJNRKND-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928011562 1328170831 /nfs/dbraw/zinc/17/08/31/1328170831.db2.gz WZMWXOWHICXFQC-UHFFFAOYSA-N 2 0 349.544 3.337 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027878715 1328344703 /nfs/dbraw/zinc/34/47/03/1328344703.db2.gz HKTWAGILSKMBQV-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001027927778 1328406031 /nfs/dbraw/zinc/40/60/31/1328406031.db2.gz CVCJDRNFRCKDID-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929849 1328408602 /nfs/dbraw/zinc/40/86/02/1328408602.db2.gz JXEWUBOUCHMETQ-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004259 1328466873 /nfs/dbraw/zinc/46/68/73/1328466873.db2.gz WQRSUNKQQNWFDR-VQIMIIECSA-N 2 0 348.450 3.290 20 0 EGADRP CC[NH2+][C@H](C)c1nc(-c2ccc(OCC[NH+](CC)CC)cc2)no1 ZINC000863667393 1329572835 /nfs/dbraw/zinc/57/28/35/1329572835.db2.gz HWVPWIPKRWSKAR-CQSZACIVSA-N 2 0 332.448 3.128 20 0 EGADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000865418415 1329694790 /nfs/dbraw/zinc/69/47/90/1329694790.db2.gz KHHJOTTZVLTFON-AWEZNQCLSA-N 2 0 348.441 3.187 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c(Cl)cncc2Cl)C[C@@H](C)O1 ZINC000865470857 1329701924 /nfs/dbraw/zinc/70/19/24/1329701924.db2.gz HVSYDZNGAIGBAZ-CHWSQXEVSA-N 2 0 346.302 3.367 20 0 EGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c[nH]ccc-2n1 ZINC000933814457 1329925528 /nfs/dbraw/zinc/92/55/28/1329925528.db2.gz MQNYRXRXVARVGC-QGZVFWFLSA-N 2 0 348.450 3.157 20 0 EGADRP C[C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC[N@@H+]1Cc1ccccc1 ZINC000933821254 1329926277 /nfs/dbraw/zinc/92/62/77/1329926277.db2.gz LWQJMOYTNSWSOL-INIZCTEOSA-N 2 0 348.450 3.300 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000934279117 1329961076 /nfs/dbraw/zinc/96/10/76/1329961076.db2.gz VXWRDAOPAYDINT-MISYRCLQSA-N 2 0 343.515 3.029 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000868092406 1330248207 /nfs/dbraw/zinc/24/82/07/1330248207.db2.gz GZISRKCDZIJEKB-WOVMCDHWSA-N 2 0 344.503 3.310 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000868164001 1330257533 /nfs/dbraw/zinc/25/75/33/1330257533.db2.gz QWTUFGFFKBEWOU-UHFFFAOYSA-N 2 0 344.503 3.136 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918204 1331254506 /nfs/dbraw/zinc/25/45/06/1331254506.db2.gz NKHFZTNBFLWCNP-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556099 1331971765 /nfs/dbraw/zinc/97/17/65/1331971765.db2.gz VQHXVJDUPOEBGG-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558656 1331974259 /nfs/dbraw/zinc/97/42/59/1331974259.db2.gz ZMKGPKUAOXVCNR-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC000947615728 1333194291 /nfs/dbraw/zinc/19/42/91/1333194291.db2.gz KPBSAJOVWJULNH-SJORKVTESA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1=CCCCC1 ZINC000947780192 1333259936 /nfs/dbraw/zinc/25/99/36/1333259936.db2.gz XGZUVWRVPZIQCK-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)[C@@H](C)C2)o1 ZINC000948079149 1333368679 /nfs/dbraw/zinc/36/86/79/1333368679.db2.gz UMCKOFNEBDCZFH-DOTOQJQBSA-N 2 0 347.503 3.114 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948365534 1333496099 /nfs/dbraw/zinc/49/60/99/1333496099.db2.gz QEUBIDGZHBUANC-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948416307 1333516512 /nfs/dbraw/zinc/51/65/12/1333516512.db2.gz CMGOCOWPWXKNSI-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726700 1333648932 /nfs/dbraw/zinc/64/89/32/1333648932.db2.gz XUOVJEHJMBHRQD-WMZOPIPTSA-N 2 0 349.519 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000948755762 1333663854 /nfs/dbraw/zinc/66/38/54/1333663854.db2.gz KRCTWSNHKBZRAN-HXUWFJFHSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948776078 1333674613 /nfs/dbraw/zinc/67/46/13/1333674613.db2.gz YTRUPHFAEXCCHW-ICSRJNTNSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000948936525 1333740771 /nfs/dbraw/zinc/74/07/71/1333740771.db2.gz SKXSPEGMPQSGNE-HXUWFJFHSA-N 2 0 348.450 3.072 20 0 EGADRP CC(C)(C(=O)N1CC[NH+](CCC2CCCCCC2)CC1)[NH+]1CCCC1 ZINC000949624089 1333884749 /nfs/dbraw/zinc/88/47/49/1333884749.db2.gz VOHROLILMIYKHA-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000949801528 1333926989 /nfs/dbraw/zinc/92/69/89/1333926989.db2.gz VMCRXSBLJOFNSN-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC000950367543 1334051651 /nfs/dbraw/zinc/05/16/51/1334051651.db2.gz KOJZWDRPEYBVBQ-VQTJNVASSA-N 2 0 347.547 3.140 20 0 EGADRP CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC000950501295 1334082701 /nfs/dbraw/zinc/08/27/01/1334082701.db2.gz XFZMWTNNIVEELN-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000950708056 1334119529 /nfs/dbraw/zinc/11/95/29/1334119529.db2.gz JWEMIZQSQKUJTQ-LJQANCHMSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206248 1335676863 /nfs/dbraw/zinc/67/68/63/1335676863.db2.gz NDORFPNJWVXKED-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968689040 1336012302 /nfs/dbraw/zinc/01/23/02/1336012302.db2.gz RVKYXCNYLOHFQB-FUHWJXTLSA-N 2 0 349.519 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968920239 1336088982 /nfs/dbraw/zinc/08/89/82/1336088982.db2.gz RWPXELZFEXCKCJ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968971038 1336105168 /nfs/dbraw/zinc/10/51/68/1336105168.db2.gz QTXFTGYXYITJRR-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969024669 1336120608 /nfs/dbraw/zinc/12/06/08/1336120608.db2.gz CWLAVPGBGMKGNP-HXUWFJFHSA-N 2 0 345.531 3.175 20 0 EGADRP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969024668 1336120912 /nfs/dbraw/zinc/12/09/12/1336120912.db2.gz CWLAVPGBGMKGNP-FQEVSTJZSA-N 2 0 345.531 3.175 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC000970336972 1336295114 /nfs/dbraw/zinc/29/51/14/1336295114.db2.gz IIQAMRCDIMPCMI-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970528727 1336317769 /nfs/dbraw/zinc/31/77/69/1336317769.db2.gz JGKCRAJZCMLAFN-PXNSSMCTSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001005991514 1336435349 /nfs/dbraw/zinc/43/53/49/1336435349.db2.gz NPFOTZVVTMNISA-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006091875 1336451084 /nfs/dbraw/zinc/45/10/84/1336451084.db2.gz NNFBQEWDROIKGC-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](CC2CCC2)CC1 ZINC001006134385 1336457145 /nfs/dbraw/zinc/45/71/45/1336457145.db2.gz USTZKIYJYRMBDN-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001007457489 1336650021 /nfs/dbraw/zinc/65/00/21/1336650021.db2.gz OKHMHRFPFVWKEK-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007947431 1336737347 /nfs/dbraw/zinc/73/73/47/1336737347.db2.gz GEZAYAVYLCVHCP-LPHOPBHVSA-N 2 0 348.450 3.290 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001008277661 1336812812 /nfs/dbraw/zinc/81/28/12/1336812812.db2.gz UMCXPIQZUYKUDL-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001008278748 1336813407 /nfs/dbraw/zinc/81/34/07/1336813407.db2.gz PXTFUINQEAVADT-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001008297759 1336817673 /nfs/dbraw/zinc/81/76/73/1336817673.db2.gz FUTBWZUSNVLWDG-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001009171652 1336981188 /nfs/dbraw/zinc/98/11/88/1336981188.db2.gz WXMAFAHQRRMJMF-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014414524 1337770560 /nfs/dbraw/zinc/77/05/60/1337770560.db2.gz OXCSUVOYBKBBIS-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014413556 1337770850 /nfs/dbraw/zinc/77/08/50/1337770850.db2.gz LWLKNZBHTVNUEV-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014627389 1337852257 /nfs/dbraw/zinc/85/22/57/1337852257.db2.gz HAWXIUZBPXLAJS-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014728481 1337889083 /nfs/dbraw/zinc/88/90/83/1337889083.db2.gz MSHSLZCYEIGUMT-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603311 1338203928 /nfs/dbraw/zinc/20/39/28/1338203928.db2.gz RCOHCAJCNCJTSN-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001015706970 1338270455 /nfs/dbraw/zinc/27/04/55/1338270455.db2.gz YIJMPDABMVCQAQ-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001015791870 1338312146 /nfs/dbraw/zinc/31/21/46/1338312146.db2.gz OJFVABVSEQFXTA-MSOLQXFVSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015791685 1338312611 /nfs/dbraw/zinc/31/26/11/1338312611.db2.gz KHZMTDXAGNGLPG-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795815 1338315604 /nfs/dbraw/zinc/31/56/04/1338315604.db2.gz SRQQLLWHCGRKSO-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016787483 1338727491 /nfs/dbraw/zinc/72/74/91/1338727491.db2.gz NKEHVOMRFJXWGK-MOPGFXCFSA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860675 1338750301 /nfs/dbraw/zinc/75/03/01/1338750301.db2.gz JQXDGNQPLBQTLT-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001017268442 1338994910 /nfs/dbraw/zinc/99/49/10/1338994910.db2.gz ZVGSAVZRZBQNFC-GPJFCIFZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017659585 1339385829 /nfs/dbraw/zinc/38/58/29/1339385829.db2.gz WMBRYZZEUGWWHR-OKYOBFRVSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001028089377 1340418600 /nfs/dbraw/zinc/41/86/00/1340418600.db2.gz ZXHFUPUTJFNJAP-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137311 1340449807 /nfs/dbraw/zinc/44/98/07/1340449807.db2.gz ISADMYKYJYWUJJ-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CC1 ZINC001028252650 1340513105 /nfs/dbraw/zinc/51/31/05/1340513105.db2.gz ZZJXUULGZNKFOE-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028579864 1340712528 /nfs/dbraw/zinc/71/25/28/1340712528.db2.gz KEOLUKZHECKYLN-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754801 1340790844 /nfs/dbraw/zinc/79/08/44/1340790844.db2.gz AIDYETYRBFQDEM-QUCCMNQESA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001028755564 1340791147 /nfs/dbraw/zinc/79/11/47/1340791147.db2.gz RZWDPELUZFCIGJ-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001029003223 1340905434 /nfs/dbraw/zinc/90/54/34/1340905434.db2.gz JFHURPIZKYSXHN-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001029108771 1340931906 /nfs/dbraw/zinc/93/19/06/1340931906.db2.gz PWGCACWQIGSXEM-QGZVFWFLSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@H](C)[NH2+]CC3CCC3)CC2)C1 ZINC001029133605 1340939277 /nfs/dbraw/zinc/93/92/77/1340939277.db2.gz VNUOLRFATGPKEM-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001029151243 1340943540 /nfs/dbraw/zinc/94/35/40/1340943540.db2.gz ADHZLKKHVRWQNF-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029165879 1340946602 /nfs/dbraw/zinc/94/66/02/1340946602.db2.gz RHXGFVMWTMXRKG-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001029550740 1341010832 /nfs/dbraw/zinc/01/08/32/1341010832.db2.gz WOZPNJOWGSCIFC-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)c1ccccc1)[NH+](C)C ZINC001029555644 1341011605 /nfs/dbraw/zinc/01/16/05/1341011605.db2.gz DOAGMWSWCDDXRC-ZGXWSNOMSA-N 2 0 343.515 3.153 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029599091 1341019117 /nfs/dbraw/zinc/01/91/17/1341019117.db2.gz UJIVFSVGCXIXBJ-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029751557 1341063896 /nfs/dbraw/zinc/06/38/96/1341063896.db2.gz XHNKJJFEGLFNEU-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029758845 1341064780 /nfs/dbraw/zinc/06/47/80/1341064780.db2.gz GRGANAUYWUFZOS-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1)CC1CCCCCC1 ZINC001029767949 1341067336 /nfs/dbraw/zinc/06/73/36/1341067336.db2.gz AZHAJBYMYJCPLQ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001029844081 1341092966 /nfs/dbraw/zinc/09/29/66/1341092966.db2.gz VVFNBEQFYUZIGR-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CC1CCCC1)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001029970608 1341139080 /nfs/dbraw/zinc/13/90/80/1341139080.db2.gz JOCRKFLOGFMZIK-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1)[NH+](C)C ZINC001029972626 1341139527 /nfs/dbraw/zinc/13/95/27/1341139527.db2.gz KZBHBHAXVWAVIF-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001031050658 1341270087 /nfs/dbraw/zinc/27/00/87/1341270087.db2.gz SIYZWFGKZWOWPY-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684330 1341581567 /nfs/dbraw/zinc/58/15/67/1341581567.db2.gz LNGGOESNDAQTEN-PMACEKPBSA-N 2 0 343.515 3.083 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800637 1341618433 /nfs/dbraw/zinc/61/84/33/1341618433.db2.gz QZACPHNQBUSYAD-OALUTQOASA-N 2 0 343.515 3.083 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001033091549 1341719818 /nfs/dbraw/zinc/71/98/18/1341719818.db2.gz KUYGFLGSPKCSPM-NZSAHSFTSA-N 2 0 349.563 3.076 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033198727 1341750715 /nfs/dbraw/zinc/75/07/15/1341750715.db2.gz MZFHSWRIHQJCLQ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001033318685 1341780052 /nfs/dbraw/zinc/78/00/52/1341780052.db2.gz LECXITXQXGIJQL-ACBHZAAOSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033359686 1341796021 /nfs/dbraw/zinc/79/60/21/1341796021.db2.gz AOSLWYQZKADVME-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466917 1341837596 /nfs/dbraw/zinc/83/75/96/1341837596.db2.gz JBGZEJOJZWPQEV-HKUYNNGSSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033567873 1341876328 /nfs/dbraw/zinc/87/63/28/1341876328.db2.gz BAARMKOKFRHANK-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033941819 1342103277 /nfs/dbraw/zinc/10/32/77/1342103277.db2.gz SGLUJYNJEKJYJZ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034205398 1342316555 /nfs/dbraw/zinc/31/65/55/1342316555.db2.gz WJSDSCYBPMHVNM-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001034215362 1342322632 /nfs/dbraw/zinc/32/26/32/1342322632.db2.gz YIPLBIRCUYFWIG-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250511 1342347795 /nfs/dbraw/zinc/34/77/95/1342347795.db2.gz RGNNYAQYGHLGMC-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001034309994 1342392821 /nfs/dbraw/zinc/39/28/21/1342392821.db2.gz RGZAAYIKXHQHJU-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034359946 1342431601 /nfs/dbraw/zinc/43/16/01/1342431601.db2.gz DJJNPGFMQUTEPL-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001034438405 1342500002 /nfs/dbraw/zinc/50/00/02/1342500002.db2.gz NKPHLECQPUFJBD-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034440023 1342501218 /nfs/dbraw/zinc/50/12/18/1342501218.db2.gz YIQYHGDKRVESOM-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476244 1342531714 /nfs/dbraw/zinc/53/17/14/1342531714.db2.gz BVVFTAUGAAYCET-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@H+](C/C=C/Cl)C2)c1 ZINC001034538688 1342596278 /nfs/dbraw/zinc/59/62/78/1342596278.db2.gz VILYILSUWAJJOO-OPUMOTSWSA-N 2 0 349.906 3.085 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543326 1342604128 /nfs/dbraw/zinc/60/41/28/1342604128.db2.gz ZXINEWCOFZPXNF-IEBWSBKVSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001034648021 1342669255 /nfs/dbraw/zinc/66/92/55/1342669255.db2.gz UTKPEFSTVHTFSF-VBSBHUPXSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034658285 1342675165 /nfs/dbraw/zinc/67/51/65/1342675165.db2.gz DPKDFBGVCGNKAV-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034796589 1342763617 /nfs/dbraw/zinc/76/36/17/1342763617.db2.gz JXLQBJYPEXENTB-LAQRGFTBSA-N 2 0 349.544 3.138 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC001034810312 1342775711 /nfs/dbraw/zinc/77/57/11/1342775711.db2.gz DSEUCZNSLYGWPU-FQEVSTJZSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034816526 1342780369 /nfs/dbraw/zinc/78/03/69/1342780369.db2.gz QTKQCXHVHALNHX-FQEVSTJZSA-N 2 0 343.515 3.065 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034954693 1342852161 /nfs/dbraw/zinc/85/21/61/1342852161.db2.gz UASOAGADZRTNQX-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)C1CCC1 ZINC001034957959 1342852271 /nfs/dbraw/zinc/85/22/71/1342852271.db2.gz QZGZGTGGGWIOSK-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)[NH+](C)C ZINC001034964305 1342855014 /nfs/dbraw/zinc/85/50/14/1342855014.db2.gz HDJXMSVTCWLHQP-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001035014160 1342876540 /nfs/dbraw/zinc/87/65/40/1342876540.db2.gz RBCKCQCXFOKHRB-BMGDILEWSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035051201 1342899523 /nfs/dbraw/zinc/89/95/23/1342899523.db2.gz LCSVEUPBTODCPM-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001035071509 1342911877 /nfs/dbraw/zinc/91/18/77/1342911877.db2.gz VITTXGFGEIDSFK-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+]2CCCCC2)cs1 ZINC001035131726 1342947847 /nfs/dbraw/zinc/94/78/47/1342947847.db2.gz PWBCKFXEMUZLEM-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184615 1342999517 /nfs/dbraw/zinc/99/95/17/1342999517.db2.gz FQFNUADDGXIFIQ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035196151 1343009438 /nfs/dbraw/zinc/00/94/38/1343009438.db2.gz VJPSDVMHYPQIIP-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233677 1343055470 /nfs/dbraw/zinc/05/54/70/1343055470.db2.gz JSTXJLOKBNSQQR-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035256561 1343082828 /nfs/dbraw/zinc/08/28/28/1343082828.db2.gz ISOABRLQBGKMLX-RTBURBONSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035721137 1343151745 /nfs/dbraw/zinc/15/17/45/1343151745.db2.gz QLTFEYFEHPCPPE-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C[NH+](CCC3=CCCCC3)C2)CC1)[NH+](C)C ZINC001035797369 1343203274 /nfs/dbraw/zinc/20/32/74/1343203274.db2.gz ZLYDETNTPPXSMA-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035859127 1343234818 /nfs/dbraw/zinc/23/48/18/1343234818.db2.gz QTCIDPZEMIASBV-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035858611 1343234933 /nfs/dbraw/zinc/23/49/33/1343234933.db2.gz WTCYTELWHJTPGZ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001036159242 1343336413 /nfs/dbraw/zinc/33/64/13/1343336413.db2.gz FSBXLWHEYNCCBL-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@H](C)C2)CC1 ZINC001036229111 1343369843 /nfs/dbraw/zinc/36/98/43/1343369843.db2.gz GUABPROUFIZTSU-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)[C@H](C)C2)CC1 ZINC001036232623 1343371652 /nfs/dbraw/zinc/37/16/52/1343371652.db2.gz UZHXFASDPLQIRQ-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001036450331 1343494557 /nfs/dbraw/zinc/49/45/57/1343494557.db2.gz KMWMKKNENSUMEX-PXNSSMCTSA-N 2 0 345.531 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]C(C)C)C2)o1 ZINC001036474575 1343505331 /nfs/dbraw/zinc/50/53/31/1343505331.db2.gz SDNOVEUBGOYHKX-IAGOWNOFSA-N 2 0 349.519 3.360 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820706 1343759055 /nfs/dbraw/zinc/75/90/55/1343759055.db2.gz NEXUYEYATCFJSN-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC(C)(C)C)C2)CC1 ZINC001036836872 1343776001 /nfs/dbraw/zinc/77/60/01/1343776001.db2.gz YVJAMSARZQXRCJ-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001037089266 1343973375 /nfs/dbraw/zinc/97/33/75/1343973375.db2.gz XKRBKIJUNUASNF-WOJBJXKFSA-N 2 0 347.547 3.093 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCC2)c1 ZINC001037121734 1343978930 /nfs/dbraw/zinc/97/89/30/1343978930.db2.gz PFQWHRVWBZYZQQ-WOJBJXKFSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037847701 1344135171 /nfs/dbraw/zinc/13/51/71/1344135171.db2.gz AYGSCLNDXZTHCL-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037855677 1344141798 /nfs/dbraw/zinc/14/17/98/1344141798.db2.gz WSVNVKZDCRCXKF-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1=CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038354560 1344395823 /nfs/dbraw/zinc/39/58/23/1344395823.db2.gz UMLWEMCICTUOSQ-WOJBJXKFSA-N 2 0 345.531 3.084 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520045 1344464459 /nfs/dbraw/zinc/46/44/59/1344464459.db2.gz MAQZXJHBDQLXLP-QFBILLFUSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001038783377 1344582894 /nfs/dbraw/zinc/58/28/94/1344582894.db2.gz WVVQSQOJKWXILI-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC(CC)CC ZINC001038907819 1344646408 /nfs/dbraw/zinc/64/64/08/1344646408.db2.gz DQNKBOYYRZUMIH-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133340 1344811908 /nfs/dbraw/zinc/81/19/08/1344811908.db2.gz GUIZTQZFRIGGRW-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039150593 1344834028 /nfs/dbraw/zinc/83/40/28/1344834028.db2.gz ACHGWSIXFIPLNS-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182114 1344879047 /nfs/dbraw/zinc/87/90/47/1344879047.db2.gz JFBNMSPTOHEMJP-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039301685 1345004242 /nfs/dbraw/zinc/00/42/42/1345004242.db2.gz MHBINWVJKXVOGJ-NXEWRWPSSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001039305025 1345005183 /nfs/dbraw/zinc/00/51/83/1345005183.db2.gz OXBXAYLSFYGNHL-IHWFROFDSA-N 2 0 349.563 3.265 20 0 EGADRP C[N@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1)C1CCC1 ZINC001039644821 1345153131 /nfs/dbraw/zinc/15/31/31/1345153131.db2.gz XRIZRDSFDAZHPL-BGYRXZFFSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001039681836 1345157531 /nfs/dbraw/zinc/15/75/31/1345157531.db2.gz UUTCSSNUQJANJG-HSALFYBXSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001039914575 1345245406 /nfs/dbraw/zinc/24/54/06/1345245406.db2.gz UMHKQBNEAOCWBM-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199967 1345372984 /nfs/dbraw/zinc/37/29/84/1345372984.db2.gz DHLHVZAQAVWHPP-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)C1CC1 ZINC001040239908 1345389890 /nfs/dbraw/zinc/38/98/90/1345389890.db2.gz ASAICOQHRUPEBY-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040240794 1345390671 /nfs/dbraw/zinc/39/06/71/1345390671.db2.gz JNKSMLWPHDJDIS-PZJWPPBQSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241641 1345391691 /nfs/dbraw/zinc/39/16/91/1345391691.db2.gz QKPBLNRMLPHJQW-PZJWPPBQSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282989 1345410693 /nfs/dbraw/zinc/41/06/93/1345410693.db2.gz YSEZCLBYXKDIJG-HXUWFJFHSA-N 2 0 340.471 3.063 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463230 1345509464 /nfs/dbraw/zinc/50/94/64/1345509464.db2.gz FSMJLRKFQKMYLE-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463526 1345509470 /nfs/dbraw/zinc/50/94/70/1345509470.db2.gz HEDZHDRCAFECFW-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC)C2 ZINC001040489599 1345516476 /nfs/dbraw/zinc/51/64/76/1345516476.db2.gz VXAVSDYVQFPQJY-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040487734 1345516533 /nfs/dbraw/zinc/51/65/33/1345516533.db2.gz GQKFSFXHSRNGRG-TZIWHRDSSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2)[NH+]1CCCCC1 ZINC001040545067 1345540403 /nfs/dbraw/zinc/54/04/03/1345540403.db2.gz MKSCYJMFEPCHJN-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001040945993 1345606078 /nfs/dbraw/zinc/60/60/78/1345606078.db2.gz AFKYWBBQHPIJEQ-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040953239 1345609240 /nfs/dbraw/zinc/60/92/40/1345609240.db2.gz LYTWGIMTNGBDMV-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042124605 1345950436 /nfs/dbraw/zinc/95/04/36/1345950436.db2.gz IQTGSUMYTAYYOH-MJGOQNOKSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]3CC[N@H+](CCC(C)(C)C)[C@H]3C2)CC1 ZINC001042257012 1346007899 /nfs/dbraw/zinc/00/78/99/1346007899.db2.gz CKKPCOYTKSBLTN-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001042849973 1346120981 /nfs/dbraw/zinc/12/09/81/1346120981.db2.gz ZIYRDJZTRNLSRQ-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001042920229 1346125281 /nfs/dbraw/zinc/12/52/81/1346125281.db2.gz WSIIQESRUMJOBG-IBGZPJMESA-N 2 0 349.563 3.362 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCC3CC3)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001044657255 1346395412 /nfs/dbraw/zinc/39/54/12/1346395412.db2.gz KPCSSSMBEXLELP-WMLDXEAASA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767590 1346424626 /nfs/dbraw/zinc/42/46/26/1346424626.db2.gz PLFNBOGOXKXSQJ-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001044880331 1346453340 /nfs/dbraw/zinc/45/33/40/1346453340.db2.gz WIJCDWIMXNSEIB-HOTGVXAUSA-N 2 0 335.492 3.114 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)CCC1 ZINC001045068397 1346489471 /nfs/dbraw/zinc/48/94/71/1346489471.db2.gz JSZRJIXENZXSPG-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)cs1 ZINC001045076297 1346490425 /nfs/dbraw/zinc/49/04/25/1346490425.db2.gz RBBRQRWKPLXOHM-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045103832 1346495357 /nfs/dbraw/zinc/49/53/57/1346495357.db2.gz OZZUGSXZLMOKDB-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC001045187044 1346523015 /nfs/dbraw/zinc/52/30/15/1346523015.db2.gz BCDICJMRERILQC-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045442299 1346594541 /nfs/dbraw/zinc/59/45/41/1346594541.db2.gz REZMTDVGEUVLPN-KRWDZBQOSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001045797250 1346700744 /nfs/dbraw/zinc/70/07/44/1346700744.db2.gz XGIKNKPGNHDZDK-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001045858275 1346723178 /nfs/dbraw/zinc/72/31/78/1346723178.db2.gz HLHCRVALCAUCHO-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001045892386 1346735658 /nfs/dbraw/zinc/73/56/58/1346735658.db2.gz WSRUWIVPJLUVPH-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958004 1346792385 /nfs/dbraw/zinc/79/23/85/1346792385.db2.gz IXZQAPSSNJGWJL-OAQYLSRUSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045960123 1346794556 /nfs/dbraw/zinc/79/45/56/1346794556.db2.gz AQRAMBUWYPUZLW-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961342 1346796786 /nfs/dbraw/zinc/79/67/86/1346796786.db2.gz MAGRIAQTZCXWLJ-ZJOUEHCJSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046316941 1346932035 /nfs/dbraw/zinc/93/20/35/1346932035.db2.gz CPWKBENOTCENGL-YLJYHZDGSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449876 1346977875 /nfs/dbraw/zinc/97/78/75/1346977875.db2.gz MYCVFPKBPWXVDF-HRAATJIYSA-N 2 0 348.450 3.290 20 0 EGADRP Cc1ccccc1C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450284 1346977912 /nfs/dbraw/zinc/97/79/12/1346977912.db2.gz RCIHCZILEDZOID-OAQYLSRUSA-N 2 0 348.450 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(CC)CC)C2)C1 ZINC001046561112 1347017839 /nfs/dbraw/zinc/01/78/39/1347017839.db2.gz DFYIHALIVOYHLN-QUCCMNQESA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047248976 1347273628 /nfs/dbraw/zinc/27/36/28/1347273628.db2.gz PYYSDFHEFPVQQK-IHPCNDPISA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228261191 1375536316 /nfs/dbraw/zinc/53/63/16/1375536316.db2.gz HYFGVDNZHRFOIY-KZNAEPCWSA-N 2 0 325.541 3.027 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572843 1347599369 /nfs/dbraw/zinc/59/93/69/1347599369.db2.gz SXCBEIAXVPBFRU-IYWMVGAKSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048582992 1347605103 /nfs/dbraw/zinc/60/51/03/1347605103.db2.gz BNJSDOCTCAXCJO-OMZCGLGVSA-N 2 0 349.563 3.122 20 0 EGADRP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589818 1347609386 /nfs/dbraw/zinc/60/93/86/1347609386.db2.gz AQNJPRNIBNUDMX-OUUBHVDSSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001048622614 1347622306 /nfs/dbraw/zinc/62/23/06/1347622306.db2.gz HPSRTVXDQWEEDF-CADBVGFASA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049507242 1347883949 /nfs/dbraw/zinc/88/39/49/1347883949.db2.gz FHCRJZQTMDGMFP-CEXWTWQISA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCC2CCC2)CCC1 ZINC001049516761 1347888096 /nfs/dbraw/zinc/88/80/96/1347888096.db2.gz FSHAVOMQYJQOGP-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533038 1347895468 /nfs/dbraw/zinc/89/54/68/1347895468.db2.gz LXFODVMGRSRKIJ-QYZOEREBSA-N 2 0 337.552 3.074 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049537526 1347897245 /nfs/dbraw/zinc/89/72/45/1347897245.db2.gz RHZYLNOOXMTJPD-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049550478 1347903778 /nfs/dbraw/zinc/90/37/78/1347903778.db2.gz MGZCHXLQQPOFGR-AQNXPRMDSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCC(C)C)C1 ZINC001049661966 1347961360 /nfs/dbraw/zinc/96/13/60/1347961360.db2.gz CNFQCKAZIYFIRC-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672389 1347966353 /nfs/dbraw/zinc/96/63/53/1347966353.db2.gz SJJVMXAGYONRMI-FRYIKTPZSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768681 1348011091 /nfs/dbraw/zinc/01/10/91/1348011091.db2.gz YPJUFGMKXBAOBK-AQNXPRMDSA-N 2 0 349.563 3.361 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787098 1348021827 /nfs/dbraw/zinc/02/18/27/1348021827.db2.gz DZTGTTXQPRJQDM-WOJBJXKFSA-N 2 0 343.515 3.227 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC ZINC001049835950 1348048912 /nfs/dbraw/zinc/04/89/12/1348048912.db2.gz MSIBQFPEDQAWNJ-GUDVDZBRSA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913969 1348109208 /nfs/dbraw/zinc/10/92/08/1348109208.db2.gz KZBYKAQOTQKJKK-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175315 1348202936 /nfs/dbraw/zinc/20/29/36/1348202936.db2.gz OZNXUGCNKVFTME-YZGWKJHDSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001050261623 1348221626 /nfs/dbraw/zinc/22/16/26/1348221626.db2.gz HQUWRFQBCQUPFW-QFBILLFUSA-N 2 0 331.504 3.235 20 0 EGADRP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC001050266075 1348223479 /nfs/dbraw/zinc/22/34/79/1348223479.db2.gz YYUVBZPTOHUDIO-OAHLLOKOSA-N 2 0 336.439 3.323 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050331158 1348229375 /nfs/dbraw/zinc/22/93/75/1348229375.db2.gz GERRUDGFNFNLSU-DRRJLQACSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050339776 1348231838 /nfs/dbraw/zinc/23/18/38/1348231838.db2.gz VAYGVOCNCKSUTF-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)CC1 ZINC001050378413 1348243344 /nfs/dbraw/zinc/24/33/44/1348243344.db2.gz ZGUWVXVUZLZFPN-MXVIHJGJSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050386931 1348246933 /nfs/dbraw/zinc/24/69/33/1348246933.db2.gz XXLXPQNQVDZGLH-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](C[C@H](C)CC)CC3)C1 ZINC001050630179 1348308551 /nfs/dbraw/zinc/30/85/51/1348308551.db2.gz LIVHCQVVAVDTIW-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCCC1CCCC1)CC2)[NH+](C)C ZINC001050669275 1348321993 /nfs/dbraw/zinc/32/19/93/1348321993.db2.gz ULCWJKKZCLSVQO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050689860 1348328224 /nfs/dbraw/zinc/32/82/24/1348328224.db2.gz NUDOSNPWCFFPTL-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001050729852 1348340150 /nfs/dbraw/zinc/34/01/50/1348340150.db2.gz CTVBFUJMVQQBKP-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381407 1348536836 /nfs/dbraw/zinc/53/68/36/1348536836.db2.gz PZDAXGSWJOOMGM-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052499536 1348560152 /nfs/dbraw/zinc/56/01/52/1348560152.db2.gz XBYCQKBYZKNZHQ-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052506839 1348561443 /nfs/dbraw/zinc/56/14/43/1348561443.db2.gz MRUHDZJURKZZSA-DOTOQJQBSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)CC1)[NH+]1CCCC1 ZINC001052618897 1348598065 /nfs/dbraw/zinc/59/80/65/1348598065.db2.gz AGTGATFDVIZPPT-QGZVFWFLSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001052765422 1348670029 /nfs/dbraw/zinc/67/00/29/1348670029.db2.gz ZEIPCTFFJGIFOW-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)CC2)cc1 ZINC001052787020 1348679381 /nfs/dbraw/zinc/67/93/81/1348679381.db2.gz GHMZEGYZRJDETA-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1 ZINC001052859461 1348705443 /nfs/dbraw/zinc/70/54/43/1348705443.db2.gz MDMOIZZVPWLNII-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052867398 1348710034 /nfs/dbraw/zinc/71/00/34/1348710034.db2.gz LYJKPYWLZWRMQY-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052956585 1348770379 /nfs/dbraw/zinc/77/03/79/1348770379.db2.gz VKCQFOGWZKVHJG-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(C)C)CC2)o1 ZINC001052967359 1348778597 /nfs/dbraw/zinc/77/85/97/1348778597.db2.gz GKMZGQILKLOQGZ-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029902 1348828818 /nfs/dbraw/zinc/82/88/18/1348828818.db2.gz XZXRLQHWGRHHRU-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053744 1348859294 /nfs/dbraw/zinc/85/92/94/1348859294.db2.gz BUJIIKHMQXGPBD-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001054197387 1349199300 /nfs/dbraw/zinc/19/93/00/1349199300.db2.gz ARPRJMZSUOHLQH-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001054297857 1349302243 /nfs/dbraw/zinc/30/22/43/1349302243.db2.gz RCAGFRCEUMNUHM-MISYRCLQSA-N 2 0 345.531 3.223 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001054298390 1349302446 /nfs/dbraw/zinc/30/24/46/1349302446.db2.gz GDMIEPCARLVNMZ-NSHGMRRFSA-N 2 0 345.531 3.285 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001054297856 1349302514 /nfs/dbraw/zinc/30/25/14/1349302514.db2.gz RCAGFRCEUMNUHM-DFQSSKMNSA-N 2 0 345.531 3.223 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001080017658 1357459591 /nfs/dbraw/zinc/45/95/91/1357459591.db2.gz RMCDHPWCKDJEIT-RLLQIKCJSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254756 1357537462 /nfs/dbraw/zinc/53/74/62/1357537462.db2.gz DXFGFTNBPJSMES-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@H+](CCC3CCCC3)C2)CC1 ZINC001071930348 1355030553 /nfs/dbraw/zinc/03/05/53/1355030553.db2.gz CXBXJHHTRAQSCZ-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096362 1355127443 /nfs/dbraw/zinc/12/74/43/1355127443.db2.gz YBWBHMWXDZSQBN-YLJYHZDGSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2)[NH+](C)C ZINC001072955213 1355520847 /nfs/dbraw/zinc/52/08/47/1355520847.db2.gz ACRPICJKJRCTCY-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001183201081 1387277663 /nfs/dbraw/zinc/27/76/63/1387277663.db2.gz ZUGYEWQIDWHEHD-HTJOGQSXSA-N 2 0 337.552 3.149 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001183228265 1387282381 /nfs/dbraw/zinc/28/23/81/1387282381.db2.gz DNXYAZAOXZKXOA-UYAOXDASSA-N 2 0 339.568 3.373 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C)cs1 ZINC001074649292 1356221283 /nfs/dbraw/zinc/22/12/83/1356221283.db2.gz VVWFOQDMIGTXDT-SZMVWBNQSA-N 2 0 349.544 3.008 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C)cc1 ZINC001074711285 1356228214 /nfs/dbraw/zinc/22/82/14/1356228214.db2.gz WAZPAJKGYMHSRG-FFZOFVMBSA-N 2 0 345.531 3.058 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C)c1 ZINC001074809667 1356250028 /nfs/dbraw/zinc/25/00/28/1356250028.db2.gz YAQQVJQJMFKWBG-UMGGQSCQSA-N 2 0 343.515 3.119 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001075460626 1356394330 /nfs/dbraw/zinc/39/43/30/1356394330.db2.gz YGWSBUXIWRBSEV-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)CCC1 ZINC001099107172 1363625744 /nfs/dbraw/zinc/62/57/44/1363625744.db2.gz WPJFBYHUQOGINQ-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099107352 1363625949 /nfs/dbraw/zinc/62/59/49/1363625949.db2.gz YAZIVKGOTIHDEX-KRWDZBQOSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001323158367 1387304070 /nfs/dbraw/zinc/30/40/70/1387304070.db2.gz ICHTYENILHVTTK-VQTJNVASSA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001183432358 1387308072 /nfs/dbraw/zinc/30/80/72/1387308072.db2.gz CBVCXFABHRBXAN-UYAOXDASSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001082559221 1358057124 /nfs/dbraw/zinc/05/71/24/1358057124.db2.gz YFQXXALCKZWOKU-AHRSYUTCSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082570329 1358057928 /nfs/dbraw/zinc/05/79/28/1358057928.db2.gz HGFWHXHTIDMXFW-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001082698336 1358078257 /nfs/dbraw/zinc/07/82/57/1358078257.db2.gz BZMCWMIPVUKYBV-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082943513 1358107117 /nfs/dbraw/zinc/10/71/17/1358107117.db2.gz MGVVCNMXNYJRNT-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101616 1358391658 /nfs/dbraw/zinc/39/16/58/1358391658.db2.gz VAVSBRYWOWZJOU-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085197020 1358431275 /nfs/dbraw/zinc/43/12/75/1358431275.db2.gz ZJNBXLXWJHCOPY-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085196773 1358431430 /nfs/dbraw/zinc/43/14/30/1358431430.db2.gz NMGGVEKIXABHQZ-AQNXPRMDSA-N 2 0 347.547 3.377 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001085203687 1358432419 /nfs/dbraw/zinc/43/24/19/1358432419.db2.gz WIXKSHMPGRTWRM-MTQWCTHYSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085217874 1358436262 /nfs/dbraw/zinc/43/62/62/1358436262.db2.gz VUARYKCBVQYEGX-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085245654 1358442809 /nfs/dbraw/zinc/44/28/09/1358442809.db2.gz GWETVHVSHAQTRE-GUDVDZBRSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001085296313 1358455717 /nfs/dbraw/zinc/45/57/17/1358455717.db2.gz YDUODPCEKNCSOM-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)cs1 ZINC001085332009 1358470419 /nfs/dbraw/zinc/47/04/19/1358470419.db2.gz HUCUGQYEDKUAMB-ZTFGCOKTSA-N 2 0 349.544 3.058 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085423439 1358495643 /nfs/dbraw/zinc/49/56/43/1358495643.db2.gz PVIGWONQVXABGZ-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001183739505 1387339667 /nfs/dbraw/zinc/33/96/67/1387339667.db2.gz SNOZIMRJPHJPIG-GOSISDBHSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597766 1358624708 /nfs/dbraw/zinc/62/47/08/1358624708.db2.gz FSQQOKNGEDOJDQ-QUCCMNQESA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639553 1358652426 /nfs/dbraw/zinc/65/24/26/1358652426.db2.gz RDHRTPSZRQEFQV-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085688143 1358688229 /nfs/dbraw/zinc/68/82/29/1358688229.db2.gz CSHBYIHRQZCQMH-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695925 1358691768 /nfs/dbraw/zinc/69/17/68/1358691768.db2.gz VIUSXGISKLVMQJ-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782248 1358756741 /nfs/dbraw/zinc/75/67/41/1358756741.db2.gz PXKIOPPZIPGZRB-MOPGFXCFSA-N 2 0 335.536 3.116 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782130 1358757118 /nfs/dbraw/zinc/75/71/18/1358757118.db2.gz NQDBPSRVDBZVIH-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782568 1358758213 /nfs/dbraw/zinc/75/82/13/1358758213.db2.gz XUZJZRIHWVAADI-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085855778 1358822927 /nfs/dbraw/zinc/82/29/27/1358822927.db2.gz JCIJMIOLANKSOW-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085856447 1358823786 /nfs/dbraw/zinc/82/37/86/1358823786.db2.gz ZBRPJQNQISLVLL-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)ccc2c[nH+]cn21 ZINC001183843956 1387357593 /nfs/dbraw/zinc/35/75/93/1387357593.db2.gz FMFWVRGFRDRLPM-DOTOQJQBSA-N 2 0 342.487 3.129 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001086148819 1359008970 /nfs/dbraw/zinc/00/89/70/1359008970.db2.gz CQWKAHHNWVUSOC-MAEOIBBWSA-N 2 0 340.471 3.013 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086364480 1359078604 /nfs/dbraw/zinc/07/86/04/1359078604.db2.gz GSGXMBDJKHNYJN-QGZVKYPTSA-N 2 0 343.515 3.105 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001086371104 1359079506 /nfs/dbraw/zinc/07/95/06/1359079506.db2.gz QJCSFTXFEURMCW-LWYYNNOASA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001086403186 1359088233 /nfs/dbraw/zinc/08/82/33/1359088233.db2.gz ZECLESJSAFSQRG-AFYVEPGGSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086454258 1359101514 /nfs/dbraw/zinc/10/15/14/1359101514.db2.gz ZBQJHJSZDBOFJS-WDSOQIARSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939054 1359261473 /nfs/dbraw/zinc/26/14/73/1359261473.db2.gz HLACFBYYQIMPQD-OTWHNJEPSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942725 1359263969 /nfs/dbraw/zinc/26/39/69/1359263969.db2.gz YYDXXESQKRDKAO-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001087569742 1359535651 /nfs/dbraw/zinc/53/56/51/1359535651.db2.gz KSNZOPJAAMCVDQ-XUVXKRRUSA-N 2 0 347.547 3.329 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CC1CC(C)(C)C1 ZINC001087578881 1359538884 /nfs/dbraw/zinc/53/88/84/1359538884.db2.gz VHEMMDHZLOSDPW-INDMIFKZSA-N 2 0 349.563 3.122 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CCCC1 ZINC001087602221 1359550898 /nfs/dbraw/zinc/55/08/98/1359550898.db2.gz FMXXUQQPFCHZJW-SLFFLAALSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671631 1359582801 /nfs/dbraw/zinc/58/28/01/1359582801.db2.gz HZAPEVWDNULKRP-VQTJNVASSA-N 2 0 345.531 3.174 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001088337481 1359832370 /nfs/dbraw/zinc/83/23/70/1359832370.db2.gz GUVUFLDKANWJST-INIZCTEOSA-N 2 0 328.460 3.027 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001088425371 1359893959 /nfs/dbraw/zinc/89/39/59/1359893959.db2.gz ULLTZBDGGBYPOH-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)[NH+]1CCCCC1 ZINC001088431218 1359898705 /nfs/dbraw/zinc/89/87/05/1359898705.db2.gz MZSSLLIRODMYLK-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)[NH+]1CCCCC1 ZINC001088431217 1359898866 /nfs/dbraw/zinc/89/88/66/1359898866.db2.gz MZSSLLIRODMYLK-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088431112 1359899154 /nfs/dbraw/zinc/89/91/54/1359899154.db2.gz IJTXJQJZMIKGMA-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001184292541 1387423634 /nfs/dbraw/zinc/42/36/34/1387423634.db2.gz PNMHINSBKINCFS-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088563215 1359974038 /nfs/dbraw/zinc/97/40/38/1359974038.db2.gz IGLOPQUAUIMTSK-YZGWKJHDSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088621896 1359993278 /nfs/dbraw/zinc/99/32/78/1359993278.db2.gz YEMMKMQDJCHBCY-RLLQIKCJSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088692911 1360013937 /nfs/dbraw/zinc/01/39/37/1360013937.db2.gz CVAXNXOPFNISGO-YZGWKJHDSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088692914 1360014067 /nfs/dbraw/zinc/01/40/67/1360014067.db2.gz CYEBTLCFNHQSBR-HOJAQTOUSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H]2C)cc1 ZINC001088748739 1360030346 /nfs/dbraw/zinc/03/03/46/1360030346.db2.gz TYUVSWJGGDXGPJ-UZLBHIALSA-N 2 0 348.450 3.036 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC1CCCCCC1 ZINC001088816779 1360061133 /nfs/dbraw/zinc/06/11/33/1360061133.db2.gz OXSIFPDHISWBEL-HNJRGHQBSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333634 1360347032 /nfs/dbraw/zinc/34/70/32/1360347032.db2.gz BMDNQPFJSGRHMR-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334748 1360347679 /nfs/dbraw/zinc/34/76/79/1360347679.db2.gz KGBQOKOFBTVTTK-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089380541 1360383355 /nfs/dbraw/zinc/38/33/55/1360383355.db2.gz FJZVLLPTZFZKQV-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382498 1360383793 /nfs/dbraw/zinc/38/37/93/1360383793.db2.gz RTHNTJKKBFAZBO-ROUUACIJSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089392467 1360393212 /nfs/dbraw/zinc/39/32/12/1360393212.db2.gz UYXVSKLPTYAVHR-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421025 1360415022 /nfs/dbraw/zinc/41/50/22/1360415022.db2.gz QETYJHWNWMNWEC-ZWKOTPCHSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441567 1360431493 /nfs/dbraw/zinc/43/14/93/1360431493.db2.gz IGSLWEZZQDMHTA-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475469 1360458499 /nfs/dbraw/zinc/45/84/99/1360458499.db2.gz BLQUFDLHVZIJDO-KRWDZBQOSA-N 2 0 349.519 3.218 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089512007 1360483557 /nfs/dbraw/zinc/48/35/57/1360483557.db2.gz YASTXGUHEQJMFO-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089538580 1360496607 /nfs/dbraw/zinc/49/66/07/1360496607.db2.gz XDFAENSNLYHGII-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CCCC1 ZINC001089617373 1360537433 /nfs/dbraw/zinc/53/74/33/1360537433.db2.gz ZUSPKTFUYMCFKS-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184565286 1387493492 /nfs/dbraw/zinc/49/34/92/1387493492.db2.gz HNEWCFXYADPUBA-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1)C1CCCCC1 ZINC001184608807 1387500158 /nfs/dbraw/zinc/50/01/58/1387500158.db2.gz DVUQURAQQLSOHH-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP Cc1ccccc1C[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001323992872 1387505814 /nfs/dbraw/zinc/50/58/14/1387505814.db2.gz ZRRBCSSNWHRGMS-IBGZPJMESA-N 2 0 337.511 3.468 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828029 1361465233 /nfs/dbraw/zinc/46/52/33/1361465233.db2.gz DCKLVTYLYXMMAP-NVXWUHKLSA-N 2 0 342.487 3.068 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001093835860 1361704113 /nfs/dbraw/zinc/70/41/13/1361704113.db2.gz MNTMDRZCBJCPAD-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001094380621 1361780955 /nfs/dbraw/zinc/78/09/55/1361780955.db2.gz UWLQYBKAFMIPPR-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094414205 1361791105 /nfs/dbraw/zinc/79/11/05/1361791105.db2.gz WYHHPVXATOXZKE-SFHLNBCPSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(CC)CC)C1 ZINC001095903788 1362279467 /nfs/dbraw/zinc/27/94/67/1362279467.db2.gz LWZYZEVXKYRCBW-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001096313602 1362460231 /nfs/dbraw/zinc/46/02/31/1362460231.db2.gz KWXXRJHIJZUYFU-FYQPLNBISA-N 2 0 347.547 3.329 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001185032509 1387592124 /nfs/dbraw/zinc/59/21/24/1387592124.db2.gz ZPUGEHHLLOSYMA-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCCC1 ZINC001097074451 1362834294 /nfs/dbraw/zinc/83/42/94/1362834294.db2.gz CGNBJOXPKZEYFA-QRVBRYPASA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001097176886 1362874771 /nfs/dbraw/zinc/87/47/71/1362874771.db2.gz BBFSLVHCNFEWDQ-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001324340011 1387599027 /nfs/dbraw/zinc/59/90/27/1387599027.db2.gz NXVHKZNOIIKJEO-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001097852505 1363142432 /nfs/dbraw/zinc/14/24/32/1363142432.db2.gz BSUMVEXILYDOES-AFYVEPGGSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059316 1363600316 /nfs/dbraw/zinc/60/03/16/1363600316.db2.gz DFPLNVZKMAPLIW-BJLQDIEVSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(C)(C)C)C3)CC1 ZINC001099093452 1363618297 /nfs/dbraw/zinc/61/82/97/1363618297.db2.gz FWZDYAKICVABNQ-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106174 1363624775 /nfs/dbraw/zinc/62/47/75/1363624775.db2.gz CGSQJGDWPWCINQ-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106173 1363624977 /nfs/dbraw/zinc/62/49/77/1363624977.db2.gz CGSQJGDWPWCINQ-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215254 1363696384 /nfs/dbraw/zinc/69/63/84/1363696384.db2.gz RBGBIHVZCJSWRR-BLGFXRMMSA-N 2 0 337.552 3.291 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099298969 1363737944 /nfs/dbraw/zinc/73/79/44/1363737944.db2.gz PKIOXYCWSBSJEA-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099311100 1363744979 /nfs/dbraw/zinc/74/49/79/1363744979.db2.gz XRBPONOGYXHHBH-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001099319878 1363747906 /nfs/dbraw/zinc/74/79/06/1363747906.db2.gz DTCGBLJKMWJRST-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100418612 1364108585 /nfs/dbraw/zinc/10/85/85/1364108585.db2.gz BXBPACVDJMIUCC-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100535986 1364150775 /nfs/dbraw/zinc/15/07/75/1364150775.db2.gz FBMOTHDWTCLOIS-PLNGDYQASA-N 2 0 349.563 3.482 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599443 1364183334 /nfs/dbraw/zinc/18/33/34/1364183334.db2.gz WQWFTQUAUSFKET-BCNJPBROSA-N 2 0 349.563 3.339 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729401 1364238147 /nfs/dbraw/zinc/23/81/47/1364238147.db2.gz FCBFQSWVQCGDBO-ACBHZAAOSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101025197 1364379742 /nfs/dbraw/zinc/37/97/42/1364379742.db2.gz ZPZAIZNCJVSVRL-LMDPOFIKSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001101027639 1364381034 /nfs/dbraw/zinc/38/10/34/1364381034.db2.gz LUOCMWRNXRXBHV-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001101037471 1364384003 /nfs/dbraw/zinc/38/40/03/1364384003.db2.gz OJYRBKFINZSAPA-MHJFOBGBSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285126 1364499124 /nfs/dbraw/zinc/49/91/24/1364499124.db2.gz PVEYGRIBUKUNJO-XLIONFOSSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368707 1364530282 /nfs/dbraw/zinc/53/02/82/1364530282.db2.gz ISUCIPKSRHKINS-ONFKWDQZSA-N 2 0 349.563 3.101 20 0 EGADRP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001101568120 1364624107 /nfs/dbraw/zinc/62/41/07/1364624107.db2.gz OQTNZNKSFJLOJL-QGZVFWFLSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CCC2)CC1 ZINC001101574101 1364628450 /nfs/dbraw/zinc/62/84/50/1364628450.db2.gz QZVHXSHSRRWRNI-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001101590575 1364641335 /nfs/dbraw/zinc/64/13/35/1364641335.db2.gz ZZJMMFCQTICROC-UHFFFAOYSA-N 2 0 346.519 3.024 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114857 1364866629 /nfs/dbraw/zinc/86/66/29/1364866629.db2.gz HATZVBHWNQPGAJ-PFRNKHFKSA-N 2 0 349.563 3.147 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600216 1365131143 /nfs/dbraw/zinc/13/11/43/1365131143.db2.gz SVPAHMPRLDUVQT-MISYRCLQSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001103086456 1365373676 /nfs/dbraw/zinc/37/36/76/1365373676.db2.gz DAQRFCJPZTWVBF-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001103171749 1365419852 /nfs/dbraw/zinc/41/98/52/1365419852.db2.gz SCGSVGKISGJUJS-NVXWUHKLSA-N 2 0 342.487 3.131 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407472 1365542274 /nfs/dbraw/zinc/54/22/74/1365542274.db2.gz DUXJGRQBSIIJPF-OKMMTOMJSA-N 2 0 337.552 3.003 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103435212 1365558138 /nfs/dbraw/zinc/55/81/38/1365558138.db2.gz VVRPVLQJYHDIMG-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103612382 1365676138 /nfs/dbraw/zinc/67/61/38/1365676138.db2.gz AWHTZINSDWSUCL-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP C[C@H](COc1ccccc1F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001324746720 1387759560 /nfs/dbraw/zinc/75/95/60/1387759560.db2.gz IPXATEGGTOQXIQ-OAHLLOKOSA-N 2 0 329.419 3.247 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001185609176 1387760398 /nfs/dbraw/zinc/76/03/98/1387760398.db2.gz FFFBIQOIRBLMFG-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104290870 1365977545 /nfs/dbraw/zinc/97/75/45/1365977545.db2.gz GUMLUQZFMIOTJL-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294626 1365978193 /nfs/dbraw/zinc/97/81/93/1365978193.db2.gz UKXXGNFQNHVGOX-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294625 1365978263 /nfs/dbraw/zinc/97/82/63/1365978263.db2.gz UKXXGNFQNHVGOX-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001185710099 1387784020 /nfs/dbraw/zinc/78/40/20/1387784020.db2.gz RSNOXXPWWCVMEY-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C[NH2+]CC1CCCC1 ZINC001185740687 1387787178 /nfs/dbraw/zinc/78/71/78/1387787178.db2.gz DJEXSBKFKXNTIG-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001104813133 1366183969 /nfs/dbraw/zinc/18/39/69/1366183969.db2.gz ZNKNHEJBMMYWFH-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058368 1366299135 /nfs/dbraw/zinc/29/91/35/1366299135.db2.gz FFKIACMJQZQBEU-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001105067161 1366304645 /nfs/dbraw/zinc/30/46/45/1366304645.db2.gz PRHWYRUVRSRQEV-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1CC[NH2+]CCC1CC1 ZINC001105097623 1366325623 /nfs/dbraw/zinc/32/56/23/1366325623.db2.gz UATBURLAUVFJMD-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)[NH+](CC)CC)CCC1 ZINC001105561875 1366531505 /nfs/dbraw/zinc/53/15/05/1366531505.db2.gz TZLNXZQOPDHRSW-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105568029 1366535639 /nfs/dbraw/zinc/53/56/39/1366535639.db2.gz DISZHGUYBJZPDT-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105572283 1366538587 /nfs/dbraw/zinc/53/85/87/1366538587.db2.gz NKJZVXOWXHCFAI-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)CCC1 ZINC001105579159 1366542559 /nfs/dbraw/zinc/54/25/59/1366542559.db2.gz KOEUBVVBQWKLNU-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151437 1366614751 /nfs/dbraw/zinc/61/47/51/1366614751.db2.gz RZLWVLASPDFRKT-DFPBPIFESA-N 2 0 349.563 3.147 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660338 1366768024 /nfs/dbraw/zinc/76/80/24/1366768024.db2.gz JTZOFASKWCGDBQ-QRQLOZEOSA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107032987 1366861930 /nfs/dbraw/zinc/86/19/30/1366861930.db2.gz CZICLDFLNYZOJU-BGEOSOQGSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001107425975 1366960907 /nfs/dbraw/zinc/96/09/07/1366960907.db2.gz BBBVYIUUJJJNQQ-SFHLNBCPSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439091 1366964000 /nfs/dbraw/zinc/96/40/00/1366964000.db2.gz RCYFMVYAPIKWDO-YDWSFWPNSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450794 1366968546 /nfs/dbraw/zinc/96/85/46/1366968546.db2.gz NCBDRQXOIVZHNI-QWFCFKBJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)C3CCCC3)CCC[C@@H]12 ZINC001107459401 1366971434 /nfs/dbraw/zinc/97/14/34/1366971434.db2.gz SAYVXHRRFAXARE-WIYYLYMNSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521267 1367016128 /nfs/dbraw/zinc/01/61/28/1367016128.db2.gz UUYYEYKULDCUHC-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530183 1367022698 /nfs/dbraw/zinc/02/26/98/1367022698.db2.gz KTPVLNLIIRXQBU-YDWSFWPNSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCCC1)CC2 ZINC001107530614 1367022773 /nfs/dbraw/zinc/02/27/73/1367022773.db2.gz CEIUTYFZXMZCOC-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001109447549 1367126979 /nfs/dbraw/zinc/12/69/79/1367126979.db2.gz SOJKMZYORRGFDM-HCXYKTFWSA-N 2 0 335.536 3.019 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520007 1367173410 /nfs/dbraw/zinc/17/34/10/1367173410.db2.gz DWJCFBXFBKRJKA-ZBHNHUSPSA-N 2 0 338.455 3.026 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565313 1367201665 /nfs/dbraw/zinc/20/16/65/1367201665.db2.gz JZSBKDAUNTUFGI-SQNIBIBYSA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643633 1367260926 /nfs/dbraw/zinc/26/09/26/1367260926.db2.gz SCHVTNBJYOUOSE-QAUHLGHHSA-N 2 0 347.547 3.185 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190483248 1367274581 /nfs/dbraw/zinc/27/45/81/1367274581.db2.gz QJLAWODXNZAGCI-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](c1ccccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672423 1367274742 /nfs/dbraw/zinc/27/47/42/1367274742.db2.gz DVUZJMRSKZKEMV-DACLVMHWSA-N 2 0 349.906 3.074 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1)[NH+](CC)CC ZINC001109714343 1367289595 /nfs/dbraw/zinc/28/95/95/1367289595.db2.gz HLFIOWPPYHNXRR-WCIQWLHISA-N 2 0 343.515 3.029 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C)C(C)C ZINC001109859990 1367363782 /nfs/dbraw/zinc/36/37/82/1367363782.db2.gz FANSBDUDUFFZRX-XWSJACJDSA-N 2 0 335.536 3.041 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918371 1367403384 /nfs/dbraw/zinc/40/33/84/1367403384.db2.gz DQMSGNJQFUMFJZ-AABGKKOBSA-N 2 0 349.563 3.265 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162118 1367436597 /nfs/dbraw/zinc/43/65/97/1367436597.db2.gz MIBCKCJGMIWWPM-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158924 1367531692 /nfs/dbraw/zinc/53/16/92/1367531692.db2.gz YYUGPAKFXGSIEM-FUMNGEBKSA-N 2 0 347.547 3.185 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738584 1367566939 /nfs/dbraw/zinc/56/69/39/1367566939.db2.gz AMAMXODKUABTFR-FHWLQOOXSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738696 1367567889 /nfs/dbraw/zinc/56/78/89/1367567889.db2.gz FFYGHXVXBTZLMU-BZSNNMDCSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801050 1367604061 /nfs/dbraw/zinc/60/40/61/1367604061.db2.gz RFOGPBQWUUYCTA-FHWLQOOXSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803679 1367606230 /nfs/dbraw/zinc/60/62/30/1367606230.db2.gz FVQZEIMZUCZSGX-HBCQFFLPSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828390 1367623151 /nfs/dbraw/zinc/62/31/51/1367623151.db2.gz NYXJUQAIRKXCFL-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)CC(CC)CC)C2)C1 ZINC001191921786 1367639713 /nfs/dbraw/zinc/63/97/13/1367639713.db2.gz FSOWKCNXAGCNBJ-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001192038410 1367672113 /nfs/dbraw/zinc/67/21/13/1367672113.db2.gz PVVLXUUMYBGFTL-FQEVSTJZSA-N 2 0 345.531 3.185 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)NCC(C)(C)C)CC1)CC(C)C ZINC001192491045 1367795665 /nfs/dbraw/zinc/79/56/65/1367795665.db2.gz YZYQJTGIOVIGAY-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192655616 1367843460 /nfs/dbraw/zinc/84/34/60/1367843460.db2.gz NAQOUPPLWBXXMN-PKOBYXMFSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)C1CC1 ZINC001110666917 1367906571 /nfs/dbraw/zinc/90/65/71/1367906571.db2.gz YMRNQJPNBNFURG-YSTOQKLRSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@@H]1C[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1O ZINC001193000311 1367920875 /nfs/dbraw/zinc/92/08/75/1367920875.db2.gz BOROACNQTYMHRC-RTWAWAEBSA-N 2 0 330.516 3.034 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001110714946 1367944160 /nfs/dbraw/zinc/94/41/60/1367944160.db2.gz LXGYQXGRZVNFII-MKXGPGLRSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748928 1367958705 /nfs/dbraw/zinc/95/87/05/1367958705.db2.gz YGKDYKLSELFESZ-QRVBRYPASA-N 2 0 347.547 3.327 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193205732 1367965406 /nfs/dbraw/zinc/96/54/06/1367965406.db2.gz VOHUEULDQSZWCP-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)CC1 ZINC001193205695 1367965676 /nfs/dbraw/zinc/96/56/76/1367965676.db2.gz USPBVXOCGOCDPF-SFHVURJKSA-N 2 0 337.552 3.076 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771433 1367972212 /nfs/dbraw/zinc/97/22/12/1367972212.db2.gz RQMVCWJWMMHDBE-QOPWDLMFSA-N 2 0 338.455 3.026 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423865 1368026375 /nfs/dbraw/zinc/02/63/75/1368026375.db2.gz HDUVBRNMBWSPRU-UXHICEINSA-N 2 0 343.515 3.178 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862400 1368041456 /nfs/dbraw/zinc/04/14/56/1368041456.db2.gz NYMZQAYXPGUWNT-KURKYZTESA-N 2 0 335.536 3.163 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001193569339 1368063199 /nfs/dbraw/zinc/06/31/99/1368063199.db2.gz AYMUXJXYPZVJJC-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001193569400 1368063517 /nfs/dbraw/zinc/06/35/17/1368063517.db2.gz BMWFHWGKBJOTNU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001111018361 1368144270 /nfs/dbraw/zinc/14/42/70/1368144270.db2.gz RWJLQSSSRKAHNN-ZRNYENFQSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180957 1368182486 /nfs/dbraw/zinc/18/24/86/1368182486.db2.gz WYEKZWVWLLQVRV-NMLBUPMWSA-N 2 0 349.563 3.122 20 0 EGADRP C[N@H+](CC1CCCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228050 1368213054 /nfs/dbraw/zinc/21/30/54/1368213054.db2.gz PIZOKBNNQOUMKN-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194265207 1368220017 /nfs/dbraw/zinc/22/00/17/1368220017.db2.gz BXQWWMNDZHKFMV-YZBXUTEPSA-N 2 0 335.536 3.140 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430068 1368260124 /nfs/dbraw/zinc/26/01/24/1368260124.db2.gz RJFAENPALMGJEZ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001111307698 1368262418 /nfs/dbraw/zinc/26/24/18/1368262418.db2.gz RTIRUYVXDPOZED-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454064 1368309539 /nfs/dbraw/zinc/30/95/39/1368309539.db2.gz JJYBUVXKALAORA-KURKYZTESA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454212 1368310047 /nfs/dbraw/zinc/31/00/47/1368310047.db2.gz QDDJLUSQTDLOMO-QRVBRYPASA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001111467780 1368312731 /nfs/dbraw/zinc/31/27/31/1368312731.db2.gz VRDHSFBKZADOLB-ZRNYENFQSA-N 2 0 347.547 3.019 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001186421111 1387938929 /nfs/dbraw/zinc/93/89/29/1387938929.db2.gz ZOSANDUUNZOGPJ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001111782262 1368459597 /nfs/dbraw/zinc/45/95/97/1368459597.db2.gz BAONNYDFFOTPNI-WFXMLNOXSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(C)C)C2 ZINC001111903739 1368546719 /nfs/dbraw/zinc/54/67/19/1368546719.db2.gz NGDMAFORBYXURM-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163470 1368560369 /nfs/dbraw/zinc/56/03/69/1368560369.db2.gz OTBDRRBEPBZWSC-ZMBJWTFHSA-N 2 0 335.536 3.140 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC(C)CC1)C2 ZINC001111952496 1368572392 /nfs/dbraw/zinc/57/23/92/1368572392.db2.gz KEODRSDHRBOXBH-XSNSTOHYSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004815 1368608433 /nfs/dbraw/zinc/60/84/33/1368608433.db2.gz MATOVOOWXYAFDF-ICSRJNTNSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112018085 1368621051 /nfs/dbraw/zinc/62/10/51/1368621051.db2.gz ZZOJQCAWPMNDTD-DYXWJJEUSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001197331405 1368789023 /nfs/dbraw/zinc/78/90/23/1368789023.db2.gz LLOUOFUKJRUFLQ-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401470 1368825620 /nfs/dbraw/zinc/82/56/20/1368825620.db2.gz GLIHJCFPPYUKOH-WLMOVXJDSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112431615 1368847541 /nfs/dbraw/zinc/84/75/41/1368847541.db2.gz MGSIBUDPOQOIPN-WFXMLNOXSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001197922019 1368924074 /nfs/dbraw/zinc/92/40/74/1368924074.db2.gz HTCAGYXZHIKTRW-IBGZPJMESA-N 2 0 349.494 3.153 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112557532 1368927220 /nfs/dbraw/zinc/92/72/20/1368927220.db2.gz LIBBDTFJLGNYJK-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001198259073 1368991965 /nfs/dbraw/zinc/99/19/65/1368991965.db2.gz KKNXHLYNQDJDCT-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C)C(=O)Nc1cccc(CNCc2c[nH+]ccc2N(C)C)c1 ZINC001199571314 1369238417 /nfs/dbraw/zinc/23/84/17/1369238417.db2.gz MVLCVYKMWXRYOC-OAHLLOKOSA-N 2 0 340.471 3.422 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC001113439468 1369429718 /nfs/dbraw/zinc/42/97/18/1369429718.db2.gz BDBJUWRHPVOCLY-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201044076 1369470886 /nfs/dbraw/zinc/47/08/86/1369470886.db2.gz PBDWKLKYNFYKMB-ZMBJWTFHSA-N 2 0 335.536 3.186 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201230443 1369499826 /nfs/dbraw/zinc/49/98/26/1369499826.db2.gz RHZGZZXIYSKGRI-UHDDOPSISA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201230955 1369501197 /nfs/dbraw/zinc/50/11/97/1369501197.db2.gz YOCGFJQDKZQBQN-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201503388 1369558670 /nfs/dbraw/zinc/55/86/70/1369558670.db2.gz PDKQQXZTIVQJMM-WMQCIHAUSA-N 2 0 334.548 3.493 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001201510152 1369561422 /nfs/dbraw/zinc/56/14/22/1369561422.db2.gz YMWRHAOINPCPAH-GOSISDBHSA-N 2 0 331.504 3.042 20 0 EGADRP CCC[C@@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201543156 1369568821 /nfs/dbraw/zinc/56/88/21/1369568821.db2.gz CAPWBSKGIVJCGH-ZRNYENFQSA-N 2 0 332.536 3.493 20 0 EGADRP CCC[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001201550275 1369573408 /nfs/dbraw/zinc/57/34/08/1369573408.db2.gz HXAPDIGHFATMNA-LJQANCHMSA-N 2 0 345.531 3.432 20 0 EGADRP CC(C)CC[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001201620380 1369592258 /nfs/dbraw/zinc/59/22/58/1369592258.db2.gz MJAGSJFYUNRLKJ-UHFFFAOYSA-N 2 0 331.504 3.042 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3c(Cl)ccnc3Cl)cc[nH+]2)CC1 ZINC001201651200 1369597308 /nfs/dbraw/zinc/59/73/08/1369597308.db2.gz OYXQFXVJFKEBQE-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP COc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)ccc1Cl ZINC001201666407 1369601358 /nfs/dbraw/zinc/60/13/58/1369601358.db2.gz QMJPJHNVUMKVTB-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc4cc(F)cnc43)cc[nH+]2)CC1 ZINC001201667902 1369601425 /nfs/dbraw/zinc/60/14/25/1369601425.db2.gz LBQSXCYKGJMDOA-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793797 1369624884 /nfs/dbraw/zinc/62/48/84/1369624884.db2.gz MJOSTASMKZZBPT-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC([NH2+]Cc3ccccc3)CC2)CCCC1 ZINC001201841118 1369632146 /nfs/dbraw/zinc/63/21/46/1369632146.db2.gz YFUVMUOWXRQWFG-UHFFFAOYSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]CCCC(C)C)CC2)C1 ZINC001202145313 1369701243 /nfs/dbraw/zinc/70/12/43/1369701243.db2.gz YWRAQVNHGMVUHP-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001202238374 1369720984 /nfs/dbraw/zinc/72/09/84/1369720984.db2.gz DKOKCYQLXJGNMZ-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001202518454 1369797394 /nfs/dbraw/zinc/79/73/94/1369797394.db2.gz UYJFGXKIUXMDAY-VOTSOKGWSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001114403243 1369933965 /nfs/dbraw/zinc/93/39/65/1369933965.db2.gz PFSCBBPSSIFNKX-PNYFIKQUSA-N 2 0 349.563 3.122 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001203081030 1369976110 /nfs/dbraw/zinc/97/61/10/1369976110.db2.gz XOKFFRCIXCFZSE-QZTJIDSGSA-N 2 0 347.547 3.070 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104683 1369984760 /nfs/dbraw/zinc/98/47/60/1369984760.db2.gz SOSLGHIGSJBPMF-UIVAWZFMSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203287311 1370062637 /nfs/dbraw/zinc/06/26/37/1370062637.db2.gz BGZILUUXRNDOFP-OAQYLSRUSA-N 2 0 343.515 3.010 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203297273 1370070316 /nfs/dbraw/zinc/07/03/16/1370070316.db2.gz ZIWRSJCMSLOWGA-NRFANRHFSA-N 2 0 345.531 3.090 20 0 EGADRP CCCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312188 1370077363 /nfs/dbraw/zinc/07/73/63/1370077363.db2.gz ALAVUILSDPDDRJ-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203323431 1370082019 /nfs/dbraw/zinc/08/20/19/1370082019.db2.gz DGHGCBGCGCMNRT-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330818 1370084540 /nfs/dbraw/zinc/08/45/40/1370084540.db2.gz UFEVPEJONSHFPN-YKMDAGRBSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420930 1370118923 /nfs/dbraw/zinc/11/89/23/1370118923.db2.gz XZOLUBJKAUDUKH-OSFIAYCASA-N 2 0 347.547 3.092 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114921337 1370150187 /nfs/dbraw/zinc/15/01/87/1370150187.db2.gz KXQYEPGIUQQKAV-RUNITULMSA-N 2 0 347.547 3.042 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203522702 1370153241 /nfs/dbraw/zinc/15/32/41/1370153241.db2.gz NZNCYQLUDVPNNQ-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203578164 1370177325 /nfs/dbraw/zinc/17/73/25/1370177325.db2.gz ULWMLONBWOOWDX-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651920 1370201969 /nfs/dbraw/zinc/20/19/69/1370201969.db2.gz QPDKEWJUZOIPOC-YQJUVHNHSA-N 2 0 335.536 3.092 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2 ZINC001203769963 1370257260 /nfs/dbraw/zinc/25/72/60/1370257260.db2.gz DETHNPRJLRFJFW-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203823055 1370278037 /nfs/dbraw/zinc/27/80/37/1370278037.db2.gz FJYSMFKIHYWXKG-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001203877681 1370297645 /nfs/dbraw/zinc/29/76/45/1370297645.db2.gz ZKYLKINHVLGUOA-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001203887984 1370300323 /nfs/dbraw/zinc/30/03/23/1370300323.db2.gz GKRMDCWTQOAGNA-WAYWQWQTSA-N 2 0 343.515 3.299 20 0 EGADRP Fc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203914766 1370312616 /nfs/dbraw/zinc/31/26/16/1370312616.db2.gz PKKWCLMXTSEJOB-MOPGFXCFSA-N 2 0 325.431 3.175 20 0 EGADRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001203919991 1370314491 /nfs/dbraw/zinc/31/44/91/1370314491.db2.gz TYPTZTFHNUYONQ-MSOLQXFVSA-N 2 0 344.890 3.027 20 0 EGADRP Cc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001204068097 1370366048 /nfs/dbraw/zinc/36/60/48/1370366048.db2.gz FSKXTRWLAMIMCP-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@]1(C)O ZINC001204263100 1370425416 /nfs/dbraw/zinc/42/54/16/1370425416.db2.gz GOOUIUONOWEHOX-YLJYHZDGSA-N 2 0 334.504 3.000 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC001204269652 1370428209 /nfs/dbraw/zinc/42/82/09/1370428209.db2.gz JITJWVXQWODOPE-UHFFFAOYSA-N 2 0 342.487 3.051 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C(C)(C)C)cc1 ZINC001204397404 1370466133 /nfs/dbraw/zinc/46/61/33/1370466133.db2.gz LKSJLDHOQYEQAJ-VQTJNVASSA-N 2 0 329.532 3.194 20 0 EGADRP CC(C)(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Oc1ccccc1 ZINC001204581124 1370522887 /nfs/dbraw/zinc/52/28/87/1370522887.db2.gz RWUJTGMIAQGBQB-UHFFFAOYSA-N 2 0 346.515 3.421 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540568 1370537367 /nfs/dbraw/zinc/53/73/67/1370537367.db2.gz SMAOQJXYKLHGJY-ZRHASKPBSA-N 2 0 347.547 3.093 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115563355 1370562587 /nfs/dbraw/zinc/56/25/87/1370562587.db2.gz SDADRDMQWROZID-IAGOWNOFSA-N 2 0 341.515 3.018 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115563358 1370562789 /nfs/dbraw/zinc/56/27/89/1370562789.db2.gz SDADRDMQWROZID-SJORKVTESA-N 2 0 341.515 3.018 20 0 EGADRP [NH3+]CC[C@H]1C[N@H+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CCO1 ZINC001204754865 1370566924 /nfs/dbraw/zinc/56/69/24/1370566924.db2.gz AVODHVLDUVEVHU-FQEVSTJZSA-N 2 0 347.462 3.451 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1)C1CC1 ZINC001115573348 1370576047 /nfs/dbraw/zinc/57/60/47/1370576047.db2.gz OBLCRTMMOKTCPG-GOSISDBHSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115579283 1370582858 /nfs/dbraw/zinc/58/28/58/1370582858.db2.gz GKHKZXJTQDJULR-VDTUPGDHSA-N 2 0 341.927 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115598152 1370597949 /nfs/dbraw/zinc/59/79/49/1370597949.db2.gz JGOROPZFFRGEKC-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115615058 1370612846 /nfs/dbraw/zinc/61/28/46/1370612846.db2.gz ZCPIMSZILWCHMU-ARJAWSKDSA-N 2 0 347.547 3.380 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc3ncc(Br)cc3c2)CC1 ZINC001205053466 1370638889 /nfs/dbraw/zinc/63/88/89/1370638889.db2.gz NMOYINUBMUIRIS-UHFFFAOYSA-N 2 0 334.261 3.168 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC001205052784 1370639053 /nfs/dbraw/zinc/63/90/53/1370639053.db2.gz DFUCLPQIKGKVAH-UHFFFAOYSA-N 2 0 327.266 3.019 20 0 EGADRP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001205124336 1370658154 /nfs/dbraw/zinc/65/81/54/1370658154.db2.gz OLCGKFBJYHEAJO-HNNXBMFYSA-N 2 0 338.377 3.409 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc3nc(Br)sc3c2)C[C@H]1C[NH3+] ZINC001205156488 1370665744 /nfs/dbraw/zinc/66/57/44/1370665744.db2.gz XRMMBUSUKFRVFY-GXSJLCMTSA-N 2 0 340.290 3.085 20 0 EGADRP Cc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)ccc1F ZINC001205161927 1370667246 /nfs/dbraw/zinc/66/72/46/1370667246.db2.gz LZUFZOLTDPOYCM-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115689350 1370671817 /nfs/dbraw/zinc/67/18/17/1370671817.db2.gz DDWAFIREQXTQQK-GOSISDBHSA-N 2 0 335.536 3.212 20 0 EGADRP CC(C)(C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1)Sc1ccc(Cl)cc1 ZINC001205210502 1370682511 /nfs/dbraw/zinc/68/25/11/1370682511.db2.gz OYNKLYVMSYRJDA-KRWDZBQOSA-N 2 0 342.936 3.386 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCC2CCCCC2)CCCCC1 ZINC001115708011 1370687396 /nfs/dbraw/zinc/68/73/96/1370687396.db2.gz JHZHRUICNROPMZ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001205230694 1370688641 /nfs/dbraw/zinc/68/86/41/1370688641.db2.gz UBOCLMMONSYQKY-AWEZNQCLSA-N 2 0 336.785 3.035 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273219 1370702896 /nfs/dbraw/zinc/70/28/96/1370702896.db2.gz ICHKJFCWGBRULO-LJQANCHMSA-N 2 0 329.444 3.048 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CC2CCC2)CCCCC1)[NH+](CC)CC ZINC001115726777 1370707979 /nfs/dbraw/zinc/70/79/79/1370707979.db2.gz RFHKXQNOZYTRQN-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288518 1370708393 /nfs/dbraw/zinc/70/83/93/1370708393.db2.gz KTFVQVULAPPACJ-FQEVSTJZSA-N 2 0 343.471 3.356 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729424 1370711066 /nfs/dbraw/zinc/71/10/66/1370711066.db2.gz FMLXBRQMSLZNGO-VOFKWLDRSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)C1 ZINC001115729524 1370711201 /nfs/dbraw/zinc/71/12/01/1370711201.db2.gz JFWYWHQHFIDRTL-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730483 1370713228 /nfs/dbraw/zinc/71/32/28/1370713228.db2.gz LAURHRBNWBEJLF-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115730874 1370713753 /nfs/dbraw/zinc/71/37/53/1370713753.db2.gz SVKXLVGCENBAMA-HKUYNNGSSA-N 2 0 347.547 3.093 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115730896 1370713876 /nfs/dbraw/zinc/71/38/76/1370713876.db2.gz UEXXENJCFMMBGH-IAGOWNOFSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCCC1)[NH+](C)C ZINC001115734304 1370716947 /nfs/dbraw/zinc/71/69/47/1370716947.db2.gz HPSKKXBRIUENGN-ROUUACIJSA-N 2 0 339.568 3.418 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1)[NH+](C)C ZINC001115734516 1370717303 /nfs/dbraw/zinc/71/73/03/1370717303.db2.gz QTEACUIGDVNMQP-SFHVURJKSA-N 2 0 335.536 3.236 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N(C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001187294130 1388090475 /nfs/dbraw/zinc/09/04/75/1388090475.db2.gz ZPQRLCKDIBGQQI-UHFFFAOYSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001205410613 1370747426 /nfs/dbraw/zinc/74/74/26/1370747426.db2.gz WECPFVJODWWQIL-UHFFFAOYSA-N 2 0 349.544 3.218 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001115769144 1370753251 /nfs/dbraw/zinc/75/32/51/1370753251.db2.gz XRWKTIUSJIVIJW-RBUKOAKNSA-N 2 0 347.547 3.212 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205462175 1370763243 /nfs/dbraw/zinc/76/32/43/1370763243.db2.gz UOXXLDRZNLSNOS-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483599 1370769479 /nfs/dbraw/zinc/76/94/79/1370769479.db2.gz JQOWAXHFNNGULZ-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115787003 1370769747 /nfs/dbraw/zinc/76/97/47/1370769747.db2.gz CYRBSIQGRLCPCA-PLNGDYQASA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)CC[C@@H]1C[NH3+] ZINC001205618018 1370812378 /nfs/dbraw/zinc/81/23/78/1370812378.db2.gz QPYUJABIFBZHES-DOTOQJQBSA-N 2 0 326.444 3.076 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC)cc1Cl ZINC001205638625 1370823069 /nfs/dbraw/zinc/82/30/69/1370823069.db2.gz QDIDOCULARNJFC-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(Br)ccc(O)c2F)CC[C@@H]1C[NH3+] ZINC001205651268 1370828332 /nfs/dbraw/zinc/82/83/32/1370828332.db2.gz BUJKISNEULTJEO-WDEREUQCSA-N 2 0 345.256 3.101 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205653277 1370828738 /nfs/dbraw/zinc/82/87/38/1370828738.db2.gz SKIFXXRGRAMDLT-GJZGRUSLSA-N 2 0 332.879 3.333 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c[nH]c2c1 ZINC001205652665 1370828870 /nfs/dbraw/zinc/82/88/70/1370828870.db2.gz QNBKIGQQUUMRDN-GDBMZVCRSA-N 2 0 343.471 3.151 20 0 EGADRP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Br ZINC001205654966 1370831191 /nfs/dbraw/zinc/83/11/91/1370831191.db2.gz YSAUETFCUINACN-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001205664146 1370835018 /nfs/dbraw/zinc/83/50/18/1370835018.db2.gz MPPQPSQCJIBXGE-INIZCTEOSA-N 2 0 331.287 3.102 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)s2)cc1 ZINC001205682305 1370841300 /nfs/dbraw/zinc/84/13/00/1370841300.db2.gz RSMUUYGAYOKBQD-IBGZPJMESA-N 2 0 346.496 3.099 20 0 EGADRP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205726244 1370853561 /nfs/dbraw/zinc/85/35/61/1370853561.db2.gz RRESHKLKSVKFMW-NRFANRHFSA-N 2 0 340.467 3.463 20 0 EGADRP Cc1cc(C)c(C(=O)N2CCC(C[NH2+]C/C=C\Cl)CC2)c(C)n1 ZINC001205729021 1370853783 /nfs/dbraw/zinc/85/37/83/1370853783.db2.gz VAHGCENYFSEPPB-DAXSKMNVSA-N 2 0 335.879 3.201 20 0 EGADRP Cc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001116294350 1370880748 /nfs/dbraw/zinc/88/07/48/1370880748.db2.gz WBTVKKJTONPJHF-LJQANCHMSA-N 2 0 337.511 3.468 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c2c(OC)cccc12 ZINC001205901038 1370905232 /nfs/dbraw/zinc/90/52/32/1370905232.db2.gz ATWZIJJCZNBBBV-GJZGRUSLSA-N 2 0 328.456 3.416 20 0 EGADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205917444 1370910107 /nfs/dbraw/zinc/91/01/07/1370910107.db2.gz YPZDVCRCVKCXHN-YPMHNXCESA-N 2 0 334.357 3.483 20 0 EGADRP Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001116530110 1370930746 /nfs/dbraw/zinc/93/07/46/1370930746.db2.gz DFXFGWFXJJRMMU-MAUKXSAKSA-N 2 0 348.450 3.036 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001326040196 1388103424 /nfs/dbraw/zinc/10/34/24/1388103424.db2.gz UXRWLOWEKUOVKU-QRWLVFNGSA-N 2 0 337.467 3.083 20 0 EGADRP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CCC[C@H]1C[NH3+] ZINC001206024587 1370942243 /nfs/dbraw/zinc/94/22/43/1370942243.db2.gz KJJLKZPXDSOVKA-HIFRSBDPSA-N 2 0 331.485 3.323 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206031212 1370944294 /nfs/dbraw/zinc/94/42/94/1370944294.db2.gz QAIVPKWGFRXGCB-GGVAOPBYSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccnc2OCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001206036044 1370944707 /nfs/dbraw/zinc/94/47/07/1370944707.db2.gz FSQALNJAKZUBBX-HKUYNNGSSA-N 2 0 339.483 3.467 20 0 EGADRP Cc1nc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093039 1370958701 /nfs/dbraw/zinc/95/87/01/1370958701.db2.gz KECUWWINHCVSEU-RTBURBONSA-N 2 0 325.456 3.327 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@H]1C ZINC001206110311 1370962076 /nfs/dbraw/zinc/96/20/76/1370962076.db2.gz SUIUJVCXYKLJKP-JKSUJKDBSA-N 2 0 341.503 3.064 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001206138597 1370969311 /nfs/dbraw/zinc/96/93/11/1370969311.db2.gz QJPWGCVQGMHYGL-SFHVURJKSA-N 2 0 345.531 3.144 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001116825307 1370982032 /nfs/dbraw/zinc/98/20/32/1370982032.db2.gz GKPCVEOYHMCBNY-PMACEKPBSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](CCc2ccc(Br)cc2)CC1 ZINC001206296178 1371014213 /nfs/dbraw/zinc/01/42/13/1371014213.db2.gz QFAHPBBXJDMRPU-INIZCTEOSA-N 2 0 325.294 3.443 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001206318236 1371019877 /nfs/dbraw/zinc/01/98/77/1371019877.db2.gz OFIYHLLKWHJPCT-SFHVURJKSA-N 2 0 332.879 3.477 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206317222 1371019920 /nfs/dbraw/zinc/01/99/20/1371019920.db2.gz DCLBIMCRCNALLT-GOSISDBHSA-N 2 0 338.879 3.468 20 0 EGADRP Cn1nccc1C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206364956 1371033907 /nfs/dbraw/zinc/03/39/07/1371033907.db2.gz AMTXPGVDPLBYHB-UHFFFAOYSA-N 2 0 338.499 3.298 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1OCC1CC1 ZINC001206556279 1371092247 /nfs/dbraw/zinc/09/22/47/1371092247.db2.gz QDXSQWAPSMOANV-HXUWFJFHSA-N 2 0 332.488 3.435 20 0 EGADRP COC(=O)c1cccc2c(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c[nH]c21 ZINC001206599560 1371105110 /nfs/dbraw/zinc/10/51/10/1371105110.db2.gz UZGCBUVCSKJDNW-INIZCTEOSA-N 2 0 343.471 3.307 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2nccnc2-c2ccc(Cl)cc2)C1 ZINC001206622517 1371111439 /nfs/dbraw/zinc/11/14/39/1371111439.db2.gz DQFAHSJEMNAQEQ-CQSZACIVSA-N 2 0 330.863 3.358 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001206633709 1371115578 /nfs/dbraw/zinc/11/55/78/1371115578.db2.gz ZPNQTNMGRLFGNN-GOSISDBHSA-N 2 0 325.456 3.221 20 0 EGADRP [NH3+]C[C@H]1CCCCN(Cc2ccc(OCc3ccccc3)cn2)C1 ZINC001206646681 1371118248 /nfs/dbraw/zinc/11/82/48/1371118248.db2.gz DCFXQLFAMMTVGS-GOSISDBHSA-N 2 0 325.456 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206653628 1371121747 /nfs/dbraw/zinc/12/17/47/1371121747.db2.gz JURBMKDMTFOWJW-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]1CC[C@H](C[NH3+])CN1Cc1c(Br)[nH]c2ccccc21 ZINC001206767654 1371157741 /nfs/dbraw/zinc/15/77/41/1371157741.db2.gz DEYLAWIWJVCQDL-NWDGAFQWSA-N 2 0 336.277 3.490 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c2ccccc12 ZINC001206810806 1371176922 /nfs/dbraw/zinc/17/69/22/1371176922.db2.gz PSPOOLWZRPDOEC-CABCVRRESA-N 2 0 328.456 3.416 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001206890227 1371209625 /nfs/dbraw/zinc/20/96/25/1371209625.db2.gz HFKWXXSFRCDIJY-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001119090633 1371275339 /nfs/dbraw/zinc/27/53/39/1371275339.db2.gz IGMXVZXZUAMIDM-KXBFYZLASA-N 2 0 339.483 3.294 20 0 EGADRP Cc1nccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001207169349 1371318456 /nfs/dbraw/zinc/31/84/56/1371318456.db2.gz IZBFMICKAJYUGF-UXHICEINSA-N 2 0 336.483 3.129 20 0 EGADRP C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001207276545 1371347836 /nfs/dbraw/zinc/34/78/36/1371347836.db2.gz ZBOKWEVVWUJQOC-HZPDHXFCSA-N 2 0 341.540 3.057 20 0 EGADRP Cc1cccc(NC(=O)NC2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001207284904 1371350089 /nfs/dbraw/zinc/35/00/89/1371350089.db2.gz SXMKNPVWKVDYKY-UHFFFAOYSA-N 2 0 346.519 3.169 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)CC2)cc1 ZINC001207286744 1371351983 /nfs/dbraw/zinc/35/19/83/1371351983.db2.gz LNHKMZQQGXLKIY-LEWJYISDSA-N 2 0 328.500 3.400 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC001207399406 1371384231 /nfs/dbraw/zinc/38/42/31/1371384231.db2.gz MPSTUVOEZOIPNJ-UHFFFAOYSA-N 2 0 329.532 3.448 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001207396525 1371384513 /nfs/dbraw/zinc/38/45/13/1371384513.db2.gz KIUVHTRHKGUCJV-RTWAWAEBSA-N 2 0 328.500 3.367 20 0 EGADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207402099 1371386294 /nfs/dbraw/zinc/38/62/94/1371386294.db2.gz WKNGFPHXKAZOPC-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP CC(C)[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207441620 1371396618 /nfs/dbraw/zinc/39/66/18/1371396618.db2.gz HBKUOORLOMPDAC-QGZVFWFLSA-N 2 0 339.524 3.096 20 0 EGADRP COc1ccccc1CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207456949 1371400870 /nfs/dbraw/zinc/40/08/70/1371400870.db2.gz ZEGBYZBEEKPCTR-SFTDATJTSA-N 2 0 336.479 3.302 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CC3(CC(OCc4ccccc4)C3)C2)CC1 ZINC001207486967 1371410990 /nfs/dbraw/zinc/41/09/90/1371410990.db2.gz PHIDBDJEBQUNGD-UHFFFAOYSA-N 2 0 328.500 3.400 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487641 1371411172 /nfs/dbraw/zinc/41/11/72/1371411172.db2.gz PFSVOMBVACIETN-YADHBBJMSA-N 3 0 341.543 3.172 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001207511934 1371420012 /nfs/dbraw/zinc/42/00/12/1371420012.db2.gz VBMLYCNCJRHFAU-UHFFFAOYSA-N 2 0 334.479 3.193 20 0 EGADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccc(F)cc3)C2)C1 ZINC001207514215 1371422447 /nfs/dbraw/zinc/42/24/47/1371422447.db2.gz WSDPLATUTCLNCF-TZIWHRDSSA-N 2 0 346.490 3.049 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540727 1371430629 /nfs/dbraw/zinc/43/06/29/1371430629.db2.gz BQOIUXLCRFGMFS-HYLNVORRSA-N 2 0 347.547 3.186 20 0 EGADRP COC(=O)CC[N@@H+](CCCc1ccc(Cl)cc1)CCC[NH+](C)C ZINC001207598402 1371447072 /nfs/dbraw/zinc/44/70/72/1371447072.db2.gz ICFQSPFHFPZIQI-UHFFFAOYSA-N 2 0 340.895 3.089 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001120005192 1371451494 /nfs/dbraw/zinc/45/14/94/1371451494.db2.gz MDWZFUACLCAGHI-MOPGFXCFSA-N 2 0 349.563 3.482 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001120009585 1371453333 /nfs/dbraw/zinc/45/33/33/1371453333.db2.gz AMYATEHTMVJDJJ-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001120010050 1371453677 /nfs/dbraw/zinc/45/36/77/1371453677.db2.gz KIGFLKVNTBVGSF-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001120207795 1371503950 /nfs/dbraw/zinc/50/39/50/1371503950.db2.gz GHRFIJMLLNEBAW-DLBZAZTESA-N 2 0 341.515 3.018 20 0 EGADRP Cc1ccccc1C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207913 1371505252 /nfs/dbraw/zinc/50/52/52/1371505252.db2.gz LYRHKRUFUHQGHQ-UHFFFAOYSA-N 2 0 345.531 3.244 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790806 1371505614 /nfs/dbraw/zinc/50/56/14/1371505614.db2.gz YKCRAFCAYZVNLC-VKRNSVOSSA-N 2 0 340.471 3.049 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120412052 1371564127 /nfs/dbraw/zinc/56/41/27/1371564127.db2.gz DFECTULDUWZOOO-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120440087 1371578065 /nfs/dbraw/zinc/57/80/65/1371578065.db2.gz KYIQBCXJNPCOTA-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC001120440833 1371578350 /nfs/dbraw/zinc/57/83/50/1371578350.db2.gz UDCYATMOQXWSMB-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048695 1371580487 /nfs/dbraw/zinc/58/04/87/1371580487.db2.gz JVYXEBVHLKKRLC-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc([C@@H](C)CCN2CC[NH+](CC3CC[NH+](C)CC3)CC2)o1 ZINC001208165350 1371614481 /nfs/dbraw/zinc/61/44/81/1371614481.db2.gz RDYMKYHDKWPERZ-KRWDZBQOSA-N 2 0 333.520 3.041 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163192 1371614667 /nfs/dbraw/zinc/61/46/67/1371614667.db2.gz FGINGHIMLHELQE-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C[C@H]3CCC(C)=C[C@H]3C)CC2)C1 ZINC001208169610 1371617074 /nfs/dbraw/zinc/61/70/74/1371617074.db2.gz QTTKRKMQNMXSDN-GUDVDZBRSA-N 2 0 348.531 3.328 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411476 1371758302 /nfs/dbraw/zinc/75/83/02/1371758302.db2.gz VLRJDJPXAAMCGW-HMECNJMJSA-N 2 0 347.547 3.189 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208575782 1371824302 /nfs/dbraw/zinc/82/43/02/1371824302.db2.gz VEPQUXBKFZQZOV-KOXDJMIISA-N 2 0 337.552 3.290 20 0 EGADRP CC(C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208585295 1371827965 /nfs/dbraw/zinc/82/79/65/1371827965.db2.gz KIIUUZKSCHOXSZ-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC[NH+]3CCCC[C@H]3C2)cc1 ZINC001208589603 1371829423 /nfs/dbraw/zinc/82/94/23/1371829423.db2.gz WSICFPKZLPFHRQ-LEWJYISDSA-N 2 0 327.516 3.211 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC001208591635 1371832070 /nfs/dbraw/zinc/83/20/70/1371832070.db2.gz MNNWJKHMNUZNOQ-NJYVYQBISA-N 2 0 327.516 3.067 20 0 EGADRP CC[NH+]1CCC(C[N@H+](Cc2cccc(OC)c2)[C@H](C)COC)CC1 ZINC001208599812 1371836699 /nfs/dbraw/zinc/83/66/99/1371836699.db2.gz CDACBRBXKJYOMA-QGZVFWFLSA-N 2 0 334.504 3.264 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001208603176 1371837532 /nfs/dbraw/zinc/83/75/32/1371837532.db2.gz VPNZCPIMTMXYQV-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208641928 1371849453 /nfs/dbraw/zinc/84/94/53/1371849453.db2.gz PNTQGMYXJPQGDF-OTWHNJEPSA-N 2 0 336.520 3.401 20 0 EGADRP C[C@H](CC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1)CC(C)(C)C ZINC001208666589 1371855120 /nfs/dbraw/zinc/85/51/20/1371855120.db2.gz VHMYJRXOLXRRMC-MRXNPFEDSA-N 2 0 337.552 3.111 20 0 EGADRP C[C@@H](CC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1)CC(C)(C)C ZINC001208666586 1371855462 /nfs/dbraw/zinc/85/54/62/1371855462.db2.gz VHMYJRXOLXRRMC-INIZCTEOSA-N 2 0 337.552 3.111 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@H](C)C(F)(F)F ZINC001208904987 1371939349 /nfs/dbraw/zinc/93/93/49/1371939349.db2.gz KXLBDGKXCOMIFW-HNNXBMFYSA-N 2 0 325.463 3.170 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347861 1371945744 /nfs/dbraw/zinc/94/57/44/1371945744.db2.gz PNRSRKRQUSXGOD-FCOWATRHSA-N 2 0 349.563 3.170 20 0 EGADRP OCC[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208930434 1371949265 /nfs/dbraw/zinc/94/92/65/1371949265.db2.gz BDOAMVITXDWGHB-SFTDATJTSA-N 2 0 342.527 3.383 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208934350 1371952070 /nfs/dbraw/zinc/95/20/70/1371952070.db2.gz FMUURYLZOMONMC-FCHUYYIVSA-N 2 0 341.543 3.459 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208934352 1371952268 /nfs/dbraw/zinc/95/22/68/1371952268.db2.gz FMUURYLZOMONMC-FGZHOGPDSA-N 2 0 341.543 3.459 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936667 1371953483 /nfs/dbraw/zinc/95/34/83/1371953483.db2.gz OTTQXYCEZFHIHB-NRFANRHFSA-N 3 0 329.532 3.172 20 0 EGADRP COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208947446 1371959250 /nfs/dbraw/zinc/95/92/50/1371959250.db2.gz KDUMEUZMVJIZKT-VQTJNVASSA-N 2 0 344.499 3.174 20 0 EGADRP CCOC(=O)[C@@H]1CCCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208953651 1371961372 /nfs/dbraw/zinc/96/13/72/1371961372.db2.gz RFHFQGJBPTUCOB-WOJBJXKFSA-N 2 0 344.499 3.174 20 0 EGADRP O=C(OCCN1CCCC[C@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001209045762 1371981713 /nfs/dbraw/zinc/98/17/13/1371981713.db2.gz RGHDQJPAJIIOCO-IBGZPJMESA-N 2 0 330.472 3.184 20 0 EGADRP C[NH+](C)C1(CC(=O)NC2CC3(C2)CC([NH2+]CC2CCC2)C3)CCCC1 ZINC001121475060 1371986143 /nfs/dbraw/zinc/98/61/43/1371986143.db2.gz RNBTTXGNMWBVGG-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001121475081 1371986436 /nfs/dbraw/zinc/98/64/36/1371986436.db2.gz RXBJBQSQNQZRDY-UHFFFAOYSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@H](C)CC)C3)C1 ZINC001121616690 1372026778 /nfs/dbraw/zinc/02/67/78/1372026778.db2.gz OGKLLADMUAXPEG-PPDYRMFTSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001121728584 1372061562 /nfs/dbraw/zinc/06/15/62/1372061562.db2.gz SFTXRFHRBJPQBE-IKQKDXEZSA-N 2 0 349.563 3.026 20 0 EGADRP c1csc(C[N@@H+]2C[C@H]3CN(CCOc4ccccc4)C[C@H]3C2)c1 ZINC001209296207 1372061774 /nfs/dbraw/zinc/06/17/74/1372061774.db2.gz AFHIDWZTJJQRPH-CALCHBBNSA-N 2 0 328.481 3.191 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001209325341 1372070042 /nfs/dbraw/zinc/07/00/42/1372070042.db2.gz ZAXZTLAUHRBPRF-OALUTQOASA-N 2 0 345.531 3.287 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2)[NH+](CC)CC ZINC001121761448 1372073240 /nfs/dbraw/zinc/07/32/40/1372073240.db2.gz LXINNQGEXJGLDW-QAELIBMJSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854391 1372103051 /nfs/dbraw/zinc/10/30/51/1372103051.db2.gz OARULNOEZSNVEB-GGQJKKPXSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001121859404 1372106154 /nfs/dbraw/zinc/10/61/54/1372106154.db2.gz FGWFKISMULGZKT-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]32)cc1 ZINC001209449028 1372109441 /nfs/dbraw/zinc/10/94/41/1372109441.db2.gz QAJGIGPBGHUKTG-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CCC[NH+]1CCCCC1 ZINC001209455139 1372110752 /nfs/dbraw/zinc/11/07/52/1372110752.db2.gz ZPRRXZXCCQQILO-WOJBJXKFSA-N 2 0 329.532 3.457 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001209455518 1372111434 /nfs/dbraw/zinc/11/14/34/1372111434.db2.gz URNQNOCDSRMYCJ-FXAWDEMLSA-N 2 0 345.531 3.403 20 0 EGADRP Cc1cccc2c(C[N@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001209482287 1372117238 /nfs/dbraw/zinc/11/72/38/1372117238.db2.gz HXAUKBMGVRJRFM-BGYRXZFFSA-N 2 0 346.478 3.435 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001209565934 1372137986 /nfs/dbraw/zinc/13/79/86/1372137986.db2.gz ICYOOSUQSJFTAG-WXUGTPJSSA-N 2 0 337.552 3.291 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001209588813 1372144758 /nfs/dbraw/zinc/14/47/58/1372144758.db2.gz JQOMQKRYIYNUQQ-WOJBJXKFSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC001122106653 1372175699 /nfs/dbraw/zinc/17/56/99/1372175699.db2.gz MNMOHIDRTVDGEI-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cc[nH+]1 ZINC001209766621 1372189882 /nfs/dbraw/zinc/18/98/82/1372189882.db2.gz LCBQHZHJGSJSEL-UHFFFAOYSA-N 2 0 333.439 3.102 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001122247922 1372211021 /nfs/dbraw/zinc/21/10/21/1372211021.db2.gz AOTJQTSAPNAEMC-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122247943 1372211528 /nfs/dbraw/zinc/21/15/28/1372211528.db2.gz AVGGLWAFYQZMDE-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC001122248854 1372211800 /nfs/dbraw/zinc/21/18/00/1372211800.db2.gz MDIGUPDYAPNCPI-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001209951887 1372240358 /nfs/dbraw/zinc/24/03/58/1372240358.db2.gz OGCIYWLNTDWIAS-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001187921460 1388190539 /nfs/dbraw/zinc/19/05/39/1388190539.db2.gz IBLYTXFJLIQTOK-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@H]1C ZINC001210236457 1372300863 /nfs/dbraw/zinc/30/08/63/1372300863.db2.gz OOJNECANGOLXCH-KZNAEPCWSA-N 2 0 343.531 3.073 20 0 EGADRP c1ccc(C[C@@H]2CN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001210266800 1372310559 /nfs/dbraw/zinc/31/05/59/1372310559.db2.gz JVLSFGWYTRLKFV-DHIUTWEWSA-N 2 0 349.522 3.025 20 0 EGADRP Clc1nccc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc21 ZINC001210267976 1372311347 /nfs/dbraw/zinc/31/13/47/1372311347.db2.gz PKQZEASZDQRLSG-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428397 1372351497 /nfs/dbraw/zinc/35/14/97/1372351497.db2.gz RFRNEQLNIBACBK-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593885 1372386376 /nfs/dbraw/zinc/38/63/76/1372386376.db2.gz GZBHUTWOAOQLIF-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210635045 1372396753 /nfs/dbraw/zinc/39/67/53/1372396753.db2.gz WMBWICYDBMWPAE-GOSISDBHSA-N 2 0 325.541 3.269 20 0 EGADRP C[NH+]1CCN(c2ccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC001210708747 1372411272 /nfs/dbraw/zinc/41/12/72/1372411272.db2.gz PJILUBGEWCBGML-HXUWFJFHSA-N 2 0 340.515 3.383 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210743595 1372417534 /nfs/dbraw/zinc/41/75/34/1372417534.db2.gz JPNQHAPYURVTMJ-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001210796410 1372427775 /nfs/dbraw/zinc/42/77/75/1372427775.db2.gz FXVZERXVIBCBPX-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210811092 1372430527 /nfs/dbraw/zinc/43/05/27/1372430527.db2.gz ITZNCUWIVLYMMS-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP O=C(N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001210865640 1372442772 /nfs/dbraw/zinc/44/27/72/1372442772.db2.gz YJFJOHVXFLWUNC-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211127126 1372488214 /nfs/dbraw/zinc/48/82/14/1372488214.db2.gz ZWTHYUNPJPEKDQ-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(Nc3ccc(C[NH2+]C)cc3)cc2)CC1 ZINC001211128766 1372488572 /nfs/dbraw/zinc/48/85/72/1372488572.db2.gz JGKGMBYMEVRDTQ-UHFFFAOYSA-N 2 0 338.499 3.287 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001211229249 1372508046 /nfs/dbraw/zinc/50/80/46/1372508046.db2.gz RIRXZFXIEHCVQX-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001211262751 1372514996 /nfs/dbraw/zinc/51/49/96/1372514996.db2.gz YRZKQWCTJVPQLB-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001211282446 1372519867 /nfs/dbraw/zinc/51/98/67/1372519867.db2.gz ALNTWMYZAPFRBN-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001211285615 1372520685 /nfs/dbraw/zinc/52/06/85/1372520685.db2.gz QDNUAGJEZITTHV-OALUTQOASA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343734 1372536662 /nfs/dbraw/zinc/53/66/62/1372536662.db2.gz JLEBDCVYKAGISO-CQJJOKNBSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444332 1372559808 /nfs/dbraw/zinc/55/98/08/1372559808.db2.gz VNUOCAFOWGHLKF-XOIGSVRCSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211675375 1372601253 /nfs/dbraw/zinc/60/12/53/1372601253.db2.gz PLZSAAOLNGGZGR-ZCNNSNEGSA-N 2 0 345.531 3.101 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611308 1373089721 /nfs/dbraw/zinc/08/97/21/1373089721.db2.gz ZGHNWMOOIOKVJP-JMKDSLFWSA-N 2 0 335.536 3.042 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3cnccc3N3CCCC3)n2)cc1 ZINC001214680440 1373101056 /nfs/dbraw/zinc/10/10/56/1373101056.db2.gz MLEGWODGOLXIMC-UHFFFAOYSA-N 2 0 349.438 3.460 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001127322432 1373115320 /nfs/dbraw/zinc/11/53/20/1373115320.db2.gz OPLZJRPAVRQFJC-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001215223967 1373189130 /nfs/dbraw/zinc/18/91/30/1373189130.db2.gz FAKUCIZRYVNAFP-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838742 1373349443 /nfs/dbraw/zinc/34/94/43/1373349443.db2.gz DKGZJYCWMFQZLD-CQQBRXBZSA-N 2 0 335.536 3.045 20 0 EGADRP c1ccc(C[N@@H+]2CCCO[C@H](COCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217888462 1373510157 /nfs/dbraw/zinc/51/01/57/1373510157.db2.gz TUKFNLKEKNESJK-NRFANRHFSA-N 2 0 346.515 3.074 20 0 EGADRP C[C@@H]1CC[C@@H](OC[C@@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C[NH2+]1 ZINC001217910257 1373511064 /nfs/dbraw/zinc/51/10/64/1373511064.db2.gz IDNDKJTUPSQJLZ-YFVAEKQCSA-N 2 0 346.515 3.213 20 0 EGADRP c1ccc(CC[NH+]2CCC(OCCC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001217901349 1373511481 /nfs/dbraw/zinc/51/14/81/1373511481.db2.gz NXLBVGYVIGGPTD-HXUWFJFHSA-N 2 0 330.516 3.490 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001130427357 1373533967 /nfs/dbraw/zinc/53/39/67/1373533967.db2.gz MVCDVTCKDMFWDD-MRXNPFEDSA-N 2 0 347.547 3.481 20 0 EGADRP C[C@@H]1C[C@@H](Oc2ccc(C[NH+]3CCCCC3)c3cccnc23)C[NH2+]1 ZINC001218037536 1373545272 /nfs/dbraw/zinc/54/52/72/1373545272.db2.gz OUFUGRGILGPPJR-NVXWUHKLSA-N 2 0 325.456 3.350 20 0 EGADRP CCc1ccc(C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC001130622274 1373570767 /nfs/dbraw/zinc/57/07/67/1373570767.db2.gz ANRSPWSFJFTTMZ-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622304 1373570898 /nfs/dbraw/zinc/57/08/98/1373570898.db2.gz CCFLMMFODDGXKR-INIZCTEOSA-N 2 0 325.541 3.027 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001130622288 1373571017 /nfs/dbraw/zinc/57/10/17/1373571017.db2.gz BAGWVKRIPACWFY-UHFFFAOYSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H](c1cccc(OCCO[C@H]2CC[NH2+]C2)c1)[C@@H](C)C[NH+](C)C ZINC001218387829 1373604278 /nfs/dbraw/zinc/60/42/78/1373604278.db2.gz NWFNJUMBKYNQPI-FFZOFVMBSA-N 2 0 334.504 3.135 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4[C@@H]5CC[C@H]4[NH2+]C5)cc32)CC1 ZINC001218444651 1373613020 /nfs/dbraw/zinc/61/30/20/1373613020.db2.gz OFRRJCMVVRBFMX-JSNMRZPZSA-N 2 0 325.456 3.106 20 0 EGADRP [NH3+]CCCCCCCC(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001218862712 1373662767 /nfs/dbraw/zinc/66/27/67/1373662767.db2.gz YGWYRHPSAPOLLY-UHFFFAOYSA-N 2 0 347.503 3.399 20 0 EGADRP [NH3+][C@@H](CC1CCCC1)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001218862090 1373662975 /nfs/dbraw/zinc/66/29/75/1373662975.db2.gz QDGHHYPGWMFHEO-IBGZPJMESA-N 2 0 345.487 3.007 20 0 EGADRP CC(C)(C[NH3+])c1ccc(NC(=O)C2(CC3CCC3)CC[NH2+]CC2)cc1 ZINC001218895086 1373665249 /nfs/dbraw/zinc/66/52/49/1373665249.db2.gz GPKRNWBBQRRWHT-UHFFFAOYSA-N 2 0 343.515 3.421 20 0 EGADRP [NH3+][C@H](C(=O)Nc1ccc2c(c1)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC001218937452 1373668036 /nfs/dbraw/zinc/66/80/36/1373668036.db2.gz XESXQGWJRYLUNX-NRFANRHFSA-N 2 0 345.446 3.167 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001219954553 1373741094 /nfs/dbraw/zinc/74/10/94/1373741094.db2.gz LKIANZUFQWCQPH-ICSRJNTNSA-N 2 0 343.515 3.156 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001221662507 1373786640 /nfs/dbraw/zinc/78/66/40/1373786640.db2.gz PMBSKYGPCGDLOL-IEBWSBKVSA-N 2 0 349.563 3.362 20 0 EGADRP Cc1c2ccccc2sc1C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222400838 1373837223 /nfs/dbraw/zinc/83/72/23/1373837223.db2.gz JYWQPUFPZLMDIC-UHFFFAOYSA-N 2 0 330.497 3.412 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001188320773 1388289685 /nfs/dbraw/zinc/28/96/85/1388289685.db2.gz NVCOALKMSSYGCL-PMACEKPBSA-N 2 0 343.515 3.098 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001188346876 1388294255 /nfs/dbraw/zinc/29/42/55/1388294255.db2.gz ZNBWNGURUIQODQ-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001188346411 1388294481 /nfs/dbraw/zinc/29/44/81/1388294481.db2.gz NBOVUZRRHDGWNX-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223971816 1375050613 /nfs/dbraw/zinc/05/06/13/1375050613.db2.gz RENYOHOJVVDMHV-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663837 1388355509 /nfs/dbraw/zinc/35/55/09/1388355509.db2.gz CZWXFYJVEXVRGL-AZUAARDMSA-N 2 0 347.547 3.140 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224795476 1375077053 /nfs/dbraw/zinc/07/70/53/1375077053.db2.gz IKFCVKXDQVUDBO-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224795072 1375077397 /nfs/dbraw/zinc/07/73/97/1375077397.db2.gz CWQCNRICZKHOKA-LOKQZNEXSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](CC=C(C)C)CC1 ZINC001224884068 1375082649 /nfs/dbraw/zinc/08/26/49/1375082649.db2.gz MMAPIDHZHSZOMV-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001225542706 1375122107 /nfs/dbraw/zinc/12/21/07/1375122107.db2.gz MYBWGVFRYIVEIB-IAGOWNOFSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132128171 1375160868 /nfs/dbraw/zinc/16/08/68/1375160868.db2.gz JNCDQCPSOHFFSZ-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CC1CCC1 ZINC001132141597 1375167631 /nfs/dbraw/zinc/16/76/31/1375167631.db2.gz SKEHNWZYJJDHTI-WMZOPIPTSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150167 1375170714 /nfs/dbraw/zinc/17/07/14/1375170714.db2.gz OSIKBAFLTNUSMQ-QZTJIDSGSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CCC1CC1 ZINC001132212135 1375212860 /nfs/dbraw/zinc/21/28/60/1375212860.db2.gz UEWKIVHWRCRQAT-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001226162131 1375213654 /nfs/dbraw/zinc/21/36/54/1375213654.db2.gz XABYXMLANWRFSF-AXTJNSDUSA-N 2 0 335.536 3.233 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001226332815 1375241222 /nfs/dbraw/zinc/24/12/22/1375241222.db2.gz BBCWQYDEKOUPHS-UUIVDXDSSA-N 2 0 335.536 3.090 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c(C)c1 ZINC001132269522 1375258176 /nfs/dbraw/zinc/25/81/76/1375258176.db2.gz LGVNXBCCTCLWOG-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001226766306 1375329414 /nfs/dbraw/zinc/32/94/14/1375329414.db2.gz LSRMPZGYBVIYGD-GUDVDZBRSA-N 2 0 335.536 3.233 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC001132368025 1375332669 /nfs/dbraw/zinc/33/26/69/1375332669.db2.gz HXTFAGFMRMARGI-JXYKKQOOSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001226817760 1375342302 /nfs/dbraw/zinc/34/23/02/1375342302.db2.gz ITCAIJJFNDDTMV-PWIZWCRZSA-N 2 0 343.515 3.249 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132392696 1375348182 /nfs/dbraw/zinc/34/81/82/1375348182.db2.gz OSFNJNWSUJXSDG-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1cccc(C[N@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132432270 1375377416 /nfs/dbraw/zinc/37/74/16/1375377416.db2.gz BMHZZWPAPBXUAV-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccc(F)cc1 ZINC001132433236 1375379011 /nfs/dbraw/zinc/37/90/11/1375379011.db2.gz LHTXEPURBNGYKC-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132435331 1375379915 /nfs/dbraw/zinc/37/99/15/1375379915.db2.gz BUHJTYCIBSRMAJ-AEFFLSMTSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132442035 1375386581 /nfs/dbraw/zinc/38/65/81/1375386581.db2.gz VWPHVFJFRZVWDA-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(CC)c2)C1 ZINC001132441885 1375386667 /nfs/dbraw/zinc/38/66/67/1375386667.db2.gz UYUGCZLIZCBYGF-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC001227150645 1375398023 /nfs/dbraw/zinc/39/80/23/1375398023.db2.gz XIRXOJDQQNDIKC-BHIYHBOVSA-N 2 0 345.531 3.495 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227303358 1375418108 /nfs/dbraw/zinc/41/81/08/1375418108.db2.gz WKMFRWASICBBNH-BMGDILEWSA-N 2 0 328.460 3.011 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132521852 1375438505 /nfs/dbraw/zinc/43/85/05/1375438505.db2.gz IBABVRWLHFKOAV-NCJCTJFTSA-N 2 0 343.515 3.009 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001132524822 1375440366 /nfs/dbraw/zinc/44/03/66/1375440366.db2.gz MGHWOGQXHJPTFK-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1Cc1ccsc1 ZINC001132524209 1375440864 /nfs/dbraw/zinc/44/08/64/1375440864.db2.gz FOVWLSIEQGFTKB-SJLPKXTDSA-N 2 0 349.544 3.093 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227704404 1375464384 /nfs/dbraw/zinc/46/43/84/1375464384.db2.gz YIVXOEARTAHLNR-AQNXPRMDSA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227792783 1375475843 /nfs/dbraw/zinc/47/58/43/1375475843.db2.gz VPLLKXPAHNPNJY-ZMBJWTFHSA-N 2 0 335.536 3.186 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001327102797 1388381365 /nfs/dbraw/zinc/38/13/65/1388381365.db2.gz VMGFUDITMLLTOP-OALUTQOASA-N 2 0 331.504 3.131 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365978 1375558681 /nfs/dbraw/zinc/55/86/81/1375558681.db2.gz KVIDAIXGVGYCEM-QXAKKESOSA-N 2 0 331.504 3.025 20 0 EGADRP O=C(NCC[NH2+]CC1CC2(CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795731 1375568945 /nfs/dbraw/zinc/56/89/45/1375568945.db2.gz XCNSMYIAXCHYOQ-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001228441062 1375573097 /nfs/dbraw/zinc/57/30/97/1375573097.db2.gz SWGIKVAFNXSKCR-AATRIKPKSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001132825342 1375585355 /nfs/dbraw/zinc/58/53/55/1375585355.db2.gz YEGBOUOKFGWMBN-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C)[NH+](CC)CC ZINC001228559819 1375598080 /nfs/dbraw/zinc/59/80/80/1375598080.db2.gz YVLQVGOHHAELCY-KZNAEPCWSA-N 2 0 325.541 3.170 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1)[NH+](C)C ZINC001228661732 1375633019 /nfs/dbraw/zinc/63/30/19/1375633019.db2.gz WVGFUYPZEURWFU-QRVBRYPASA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(NC(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001228889017 1375705942 /nfs/dbraw/zinc/70/59/42/1375705942.db2.gz PJMNMANHCXBGQS-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001133011173 1375709936 /nfs/dbraw/zinc/70/99/36/1375709936.db2.gz HISSFTMYVCEGCF-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001133043033 1375735023 /nfs/dbraw/zinc/73/50/23/1375735023.db2.gz PNOUTKKKKGLVFZ-UHFFFAOYSA-N 2 0 345.531 3.008 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133063711 1375752051 /nfs/dbraw/zinc/75/20/51/1375752051.db2.gz GHGWUGAAKJZKDG-WMZOPIPTSA-N 2 0 349.519 3.219 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](CC)CC ZINC001229172023 1375780185 /nfs/dbraw/zinc/78/01/85/1375780185.db2.gz UFOYJQPQHQSTDV-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133122979 1375787223 /nfs/dbraw/zinc/78/72/23/1375787223.db2.gz WYNJFWHJNHVXJC-HMTUNPETSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229253318 1375795413 /nfs/dbraw/zinc/79/54/13/1375795413.db2.gz BPGCZKFVFWJSER-MOPGFXCFSA-N 2 0 349.494 3.198 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229462314 1375840600 /nfs/dbraw/zinc/84/06/00/1375840600.db2.gz KYPHFKMZLBNIHK-IBGZPJMESA-N 2 0 337.552 3.410 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655933 1375872633 /nfs/dbraw/zinc/87/26/33/1375872633.db2.gz WBPYYNUJBUEFMR-VJIACCKLSA-N 2 0 337.552 3.290 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229686694 1375875958 /nfs/dbraw/zinc/87/59/58/1375875958.db2.gz XXAJIDVYGDYYLM-IBGZPJMESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001133263009 1375878854 /nfs/dbraw/zinc/87/88/54/1375878854.db2.gz NOXXWPVRFOLNMC-HKUYNNGSSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133333619 1375929036 /nfs/dbraw/zinc/92/90/36/1375929036.db2.gz JVWDTWRSGJJHTH-UXHICEINSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133338046 1375930990 /nfs/dbraw/zinc/93/09/90/1375930990.db2.gz SDXBKVPURRUHND-PXNSSMCTSA-N 2 0 345.531 3.236 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001230287141 1375985747 /nfs/dbraw/zinc/98/57/47/1375985747.db2.gz XEEAMHZKWQXJQF-QRVBRYPASA-N 2 0 337.552 3.314 20 0 EGADRP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)CCC ZINC001133410402 1375993896 /nfs/dbraw/zinc/99/38/96/1375993896.db2.gz CYYZXFUFUICMHD-UHFFFAOYSA-N 2 0 339.911 3.010 20 0 EGADRP CC(C)CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230378749 1376011043 /nfs/dbraw/zinc/01/10/43/1376011043.db2.gz UMMXMOZGINWMMO-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378598 1376011106 /nfs/dbraw/zinc/01/11/06/1376011106.db2.gz QORLRHACASANMU-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230506693 1376044492 /nfs/dbraw/zinc/04/44/92/1376044492.db2.gz BTEADRPXYRSHBU-LIRRHRJNSA-N 2 0 336.439 3.435 20 0 EGADRP Nc1[nH]c2ccc(O[C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)cc2[nH+]1 ZINC001230518909 1376051008 /nfs/dbraw/zinc/05/10/08/1376051008.db2.gz WCMIESUEIHZOLP-HNNXBMFYSA-N 2 0 342.830 3.452 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581161 1376085381 /nfs/dbraw/zinc/08/53/81/1376085381.db2.gz VXLDPFJDTCMNQZ-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001230592005 1376090088 /nfs/dbraw/zinc/09/00/88/1376090088.db2.gz PGXZHLWZPMFUKX-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610476 1376099238 /nfs/dbraw/zinc/09/92/38/1376099238.db2.gz BZEBFSDTGWJYPK-DUIUGDAFSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1Cl)[NH+](CC)CC ZINC001133690749 1376157911 /nfs/dbraw/zinc/15/79/11/1376157911.db2.gz VKIBCVLUWATKON-PBHICJAKSA-N 2 0 339.911 3.227 20 0 EGADRP COc1cccc2c(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)c[nH]c21 ZINC001231897124 1376340316 /nfs/dbraw/zinc/34/03/16/1376340316.db2.gz KBANIXAXMVCQOO-UHFFFAOYSA-N 2 0 336.439 3.202 20 0 EGADRP Cc1cc(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc(C)n1 ZINC001231996782 1376375499 /nfs/dbraw/zinc/37/54/99/1376375499.db2.gz HCOUJWHYXDAVSY-FQEVSTJZSA-N 2 0 331.504 3.021 20 0 EGADRP C[C@H]1CN(Cc2cc(F)cc(C[NH+](C)C)c2)CC[C@@]1(O)C(F)(F)F ZINC001232144648 1376409352 /nfs/dbraw/zinc/40/93/52/1376409352.db2.gz MMXXQWXATDXGHL-LRDDRELGSA-N 2 0 348.384 3.023 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(C)c1 ZINC001327212242 1388444853 /nfs/dbraw/zinc/44/48/53/1388444853.db2.gz BTTMKSXSAVJXOO-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369381 1376497930 /nfs/dbraw/zinc/49/79/30/1376497930.db2.gz KPCICLNTHRJYPF-SJORKVTESA-N 2 0 325.541 3.170 20 0 EGADRP Cc1c[nH]c(=O)c(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001233192098 1376583442 /nfs/dbraw/zinc/58/34/42/1376583442.db2.gz LCOGDRKEUPXUKZ-UHFFFAOYSA-N 2 0 341.455 3.177 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582901 1376606977 /nfs/dbraw/zinc/60/69/77/1376606977.db2.gz BGTVPVIQYHPUET-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CCCCC1 ZINC001134582903 1376607225 /nfs/dbraw/zinc/60/72/25/1376607225.db2.gz BGTVPVIQYHPUET-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584190 1376607882 /nfs/dbraw/zinc/60/78/82/1376607882.db2.gz RMMKOLOTAXIQLB-IRXDYDNUSA-N 2 0 335.536 3.234 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134583752 1376608183 /nfs/dbraw/zinc/60/81/83/1376608183.db2.gz NXSJBYHUEZXWLE-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001327226007 1388452529 /nfs/dbraw/zinc/45/25/29/1388452529.db2.gz VMNWHOUONLXPEX-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612366 1376624813 /nfs/dbraw/zinc/62/48/13/1376624813.db2.gz LREWMWBJVQSKIR-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233444082 1376646472 /nfs/dbraw/zinc/64/64/72/1376646472.db2.gz CCOFTMSOFJJCDK-FUHWJXTLSA-N 2 0 345.874 3.041 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728659 1376681384 /nfs/dbraw/zinc/68/13/84/1376681384.db2.gz BDSIHVZEUNRNCW-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001134754596 1376700855 /nfs/dbraw/zinc/70/08/55/1376700855.db2.gz VTPPJQZZSOQFLX-MJGOQNOKSA-N 2 0 331.504 3.108 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134762792 1376707688 /nfs/dbraw/zinc/70/76/88/1376707688.db2.gz GTLBCYDATKYUNL-PKOBYXMFSA-N 2 0 331.504 3.025 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857518 1376757414 /nfs/dbraw/zinc/75/74/14/1376757414.db2.gz DRPMYBHUIMHDPB-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CC2(CCC2)C1 ZINC001134858511 1376757646 /nfs/dbraw/zinc/75/76/46/1376757646.db2.gz VFPOJJVLNWJKFN-SJORKVTESA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134887635 1376768384 /nfs/dbraw/zinc/76/83/84/1376768384.db2.gz DNMLSJGLLCPXBA-LSDHHAIUSA-N 2 0 330.476 3.257 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999823 1376835821 /nfs/dbraw/zinc/83/58/21/1376835821.db2.gz UZMQTBPIKJIJBX-CVEARBPZSA-N 2 0 330.476 3.401 20 0 EGADRP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235038135 1376836920 /nfs/dbraw/zinc/83/69/20/1376836920.db2.gz UEOFKDAMXVZMIL-DNVCBOLYSA-N 2 0 341.499 3.276 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036844 1376837292 /nfs/dbraw/zinc/83/72/92/1376837292.db2.gz NZDGJRFLFIQBPZ-YFVAEKQCSA-N 2 0 344.543 3.473 20 0 EGADRP c1ccc(Oc2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235039195 1376838431 /nfs/dbraw/zinc/83/84/31/1376838431.db2.gz VGHONBKXJCTTOG-WIYYLYMNSA-N 2 0 338.451 3.289 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001235337603 1376868982 /nfs/dbraw/zinc/86/89/82/1376868982.db2.gz ULSOWMOZWUSWTK-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077598 1376882461 /nfs/dbraw/zinc/88/24/61/1376882461.db2.gz PYCJJQQSNJKQDQ-ROUUACIJSA-N 2 0 337.552 3.480 20 0 EGADRP CC1(C[NH+]2CC(Oc3ccccc3C(F)(F)F)C2)CC[NH2+]CC1 ZINC001235704909 1376884624 /nfs/dbraw/zinc/88/46/24/1376884624.db2.gz DTUFRJCNBMKPCW-UHFFFAOYSA-N 2 0 328.378 3.158 20 0 EGADRP CCCC[NH+]1CCC(N(C)Cc2cnc(OC)c(Cl)c2)CC1 ZINC001235704074 1376885127 /nfs/dbraw/zinc/88/51/27/1376885127.db2.gz FFHGPOQMCVGZLI-UHFFFAOYSA-N 2 0 325.884 3.440 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CCCC3CCC3)C[C@H]21)CC(C)(C)C ZINC001189160271 1388469198 /nfs/dbraw/zinc/46/91/98/1388469198.db2.gz ZPFWMYUMXVBSRG-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP c1ccc2c(c1)oc1c2cccc1C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236129671 1376935182 /nfs/dbraw/zinc/93/51/82/1376935182.db2.gz XRVIPKYGFRKPMW-UHFFFAOYSA-N 2 0 349.478 3.456 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001236253339 1376945852 /nfs/dbraw/zinc/94/58/52/1376945852.db2.gz MHXCMOWTCWEKBO-YADHBBJMSA-N 2 0 337.511 3.153 20 0 EGADRP [NH3+][C@H](CN(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236387882 1376951613 /nfs/dbraw/zinc/95/16/13/1376951613.db2.gz HMAOTDNAOGAJQO-WOJBJXKFSA-N 2 0 327.447 3.080 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135298097 1377026360 /nfs/dbraw/zinc/02/63/60/1377026360.db2.gz KLWRKTJAZIUDIF-HUUCEWRRSA-N 2 0 335.492 3.018 20 0 EGADRP CCOc1cncc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)c1 ZINC001242659228 1377027026 /nfs/dbraw/zinc/02/70/26/1377027026.db2.gz GNSFMPGRBGKKAK-UHFFFAOYSA-N 2 0 325.456 3.318 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299532 1377027135 /nfs/dbraw/zinc/02/71/35/1377027135.db2.gz XPBYMDIFGOYCNG-HOTGVXAUSA-N 2 0 337.508 3.408 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001135299329 1377027340 /nfs/dbraw/zinc/02/73/40/1377027340.db2.gz WDZQHXAQZPIMJC-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CC2CCCCCC2)cc1 ZINC001135334864 1377044021 /nfs/dbraw/zinc/04/40/21/1377044021.db2.gz WNILFMJQILKYAN-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP C[NH2+]CC[C@H](C)[NH2+]Cc1ccc(CC(=O)OCc2ccccc2)cc1 ZINC001246293054 1377051251 /nfs/dbraw/zinc/05/12/51/1377051251.db2.gz XGZATPLQBCDPIX-KRWDZBQOSA-N 2 0 340.467 3.060 20 0 EGADRP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246379521 1377051476 /nfs/dbraw/zinc/05/14/76/1377051476.db2.gz PRTJCQCYQZOHSS-HKUYNNGSSA-N 2 0 331.479 3.049 20 0 EGADRP COc1ccc(C2(N[C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC[NH2+]CC2)cc1 ZINC001246380361 1377051660 /nfs/dbraw/zinc/05/16/60/1377051660.db2.gz KPJVIIBBNHRJCS-IEBWSBKVSA-N 2 0 345.531 3.030 20 0 EGADRP Fc1ccccc1CC1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246380821 1377051709 /nfs/dbraw/zinc/05/17/09/1377051709.db2.gz KPIYZOQSOVXNAH-QUCCMNQESA-N 3 0 345.506 3.002 20 0 EGADRP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246546443 1377052262 /nfs/dbraw/zinc/05/22/62/1377052262.db2.gz KCVLOMRVWBLLJB-RTBURBONSA-N 2 0 338.451 3.383 20 0 EGADRP CC(C)[C@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246724982 1377053145 /nfs/dbraw/zinc/05/31/45/1377053145.db2.gz NOKDUCAJICKCRR-XCJLJZCSSA-N 2 0 343.515 3.339 20 0 EGADRP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[NH2+][C@@H](CC(C)C)C2)CC[NH2+]1 ZINC001246822681 1377054967 /nfs/dbraw/zinc/05/49/67/1377054967.db2.gz MQZBNFOJZOSTKU-CMKODMSKSA-N 2 0 333.495 3.247 20 0 EGADRP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246821068 1377055176 /nfs/dbraw/zinc/05/51/76/1377055176.db2.gz ICLMPKCWXDEFAJ-MUGJNUQGSA-N 2 0 327.516 3.112 20 0 EGADRP Fc1ccc(CN2CCC[N@@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246822708 1377055263 /nfs/dbraw/zinc/05/52/63/1377055263.db2.gz MTHZEUMTERQXAS-LEWJYISDSA-N 2 0 345.506 3.256 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)CC[NH+](C)C ZINC001135371700 1377059886 /nfs/dbraw/zinc/05/98/86/1377059886.db2.gz HRDVUKKZKBLIPK-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135377712 1377063350 /nfs/dbraw/zinc/06/33/50/1377063350.db2.gz CYLZCRDLNDJQHL-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CCc1ccc(CC)cc1 ZINC001135436954 1377096783 /nfs/dbraw/zinc/09/67/83/1377096783.db2.gz HMWRLZBYGKUTHY-UHFFFAOYSA-N 2 0 347.547 3.009 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001135437084 1377096865 /nfs/dbraw/zinc/09/68/65/1377096865.db2.gz NDZRJKDXXRAGTO-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC001135468155 1377107633 /nfs/dbraw/zinc/10/76/33/1377107633.db2.gz MZTSKVHEJGYKMJ-ZWKOTPCHSA-N 2 0 345.531 3.100 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC001135468748 1377108307 /nfs/dbraw/zinc/10/83/07/1377108307.db2.gz SRZRYHCNFUQQAR-QZTJIDSGSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccccc1C(C)C)C(C)C ZINC001135473983 1377110045 /nfs/dbraw/zinc/11/00/45/1377110045.db2.gz CMHIDCFIYFNKAA-FQEVSTJZSA-N 2 0 347.547 3.382 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475481 1377110252 /nfs/dbraw/zinc/11/02/52/1377110252.db2.gz BDUFOHLMQRDGQC-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP CCCC(CCC)[N@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001257339874 1377114112 /nfs/dbraw/zinc/11/41/12/1377114112.db2.gz KEZXBSSZFMHKML-UHFFFAOYSA-N 2 0 333.524 3.091 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001135614753 1377163223 /nfs/dbraw/zinc/16/32/23/1377163223.db2.gz ZTJYIAKTTKZFMK-CVEARBPZSA-N 2 0 337.552 3.027 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675511 1377181013 /nfs/dbraw/zinc/18/10/13/1377181013.db2.gz HJPKBFAOVPLGMK-SJORKVTESA-N 2 0 333.520 3.425 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135705669 1377190076 /nfs/dbraw/zinc/19/00/76/1377190076.db2.gz HHHIGJZKKHRWSB-QWHCGFSZSA-N 2 0 345.940 3.116 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135705667 1377190148 /nfs/dbraw/zinc/19/01/48/1377190148.db2.gz HHHIGJZKKHRWSB-CHWSQXEVSA-N 2 0 345.940 3.116 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[NH+](C)C)cc1 ZINC001135717630 1377193482 /nfs/dbraw/zinc/19/34/82/1377193482.db2.gz XNTWAPGRONMKKX-VQTJNVASSA-N 2 0 345.531 3.088 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135743220 1377199220 /nfs/dbraw/zinc/19/92/20/1377199220.db2.gz HBTUCCMDHOTSJZ-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135860802 1377237871 /nfs/dbraw/zinc/23/78/71/1377237871.db2.gz HTIILQQYSMHHGH-MOPGFXCFSA-N 2 0 347.547 3.327 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135861051 1377238190 /nfs/dbraw/zinc/23/81/90/1377238190.db2.gz LTEGFGJGSXAVQS-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944972 1377273580 /nfs/dbraw/zinc/27/35/80/1377273580.db2.gz SXKSWTGDRGDSKD-HZPDHXFCSA-N 2 0 346.519 3.214 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961756 1377277668 /nfs/dbraw/zinc/27/76/68/1377277668.db2.gz WEWMIBFHLKOQIV-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961110 1377277675 /nfs/dbraw/zinc/27/76/75/1377277675.db2.gz LSSQHZGBDZQDOC-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c(C)c1 ZINC001135973949 1377283099 /nfs/dbraw/zinc/28/30/99/1377283099.db2.gz FVURGXPCCGVFSL-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001135974836 1377283918 /nfs/dbraw/zinc/28/39/18/1377283918.db2.gz WKAMWKHWPQKIMK-QZTJIDSGSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135977276 1377284577 /nfs/dbraw/zinc/28/45/77/1377284577.db2.gz REOZLOLDAGVNHY-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135980513 1377285736 /nfs/dbraw/zinc/28/57/36/1377285736.db2.gz PIXLMJPTRHCTHB-KBPBESRZSA-N 2 0 339.549 3.080 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135980533 1377286006 /nfs/dbraw/zinc/28/60/06/1377286006.db2.gz PPMKDANNEWQZOO-DLBZAZTESA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001135995165 1377291680 /nfs/dbraw/zinc/29/16/80/1377291680.db2.gz AEPRCFIMTMIZGW-SJORKVTESA-N 2 0 327.557 3.418 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135997086 1377293118 /nfs/dbraw/zinc/29/31/18/1377293118.db2.gz YCWWRQJKNRKVAR-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC001136223927 1377365454 /nfs/dbraw/zinc/36/54/54/1377365454.db2.gz ZFXDVWDTZRURHK-QGZVFWFLSA-N 2 0 345.531 3.313 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309382 1388493909 /nfs/dbraw/zinc/49/39/09/1388493909.db2.gz VBHGRCDNTQQDIS-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccn2c(C[N@H+](C3CCCC3)C3CCN(C)CC3)cnc12 ZINC001136967595 1377446973 /nfs/dbraw/zinc/44/69/73/1377446973.db2.gz JHYJFQYXDFDXPK-UHFFFAOYSA-N 2 0 326.488 3.482 20 0 EGADRP CC[C@@H](C(=O)NC1(C[NH2+]Cc2cc(C)cc(C)c2)CCCC1)[NH+](C)C ZINC001267841656 1377474755 /nfs/dbraw/zinc/47/47/55/1377474755.db2.gz WMOGCSXBBPAIPM-IBGZPJMESA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001269177689 1377542366 /nfs/dbraw/zinc/54/23/66/1377542366.db2.gz NPFCWHMCPQIIOP-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP COc1cccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535353 1377562458 /nfs/dbraw/zinc/56/24/58/1377562458.db2.gz JEVSSFAXINLCKJ-RBUKOAKNSA-N 2 0 337.467 3.044 20 0 EGADRP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001270650775 1377609397 /nfs/dbraw/zinc/60/93/97/1377609397.db2.gz YFXNDDRNDGWBNL-FPOVZHCZSA-N 2 0 345.531 3.231 20 0 EGADRP Oc1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001138393326 1377715713 /nfs/dbraw/zinc/71/57/13/1377715713.db2.gz VYUSQRFFWBVUSW-UHFFFAOYSA-N 2 0 343.496 3.337 20 0 EGADRP C[N@@H+](Cc1ncccc1O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001138394013 1377716082 /nfs/dbraw/zinc/71/60/82/1377716082.db2.gz CIHREIXIMIPFFP-UHFFFAOYSA-N 2 0 325.456 3.131 20 0 EGADRP COc1ccc(Cl)cc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001138482625 1377729327 /nfs/dbraw/zinc/72/93/27/1377729327.db2.gz IQEJWVWRFUUWCB-UHFFFAOYSA-N 2 0 341.927 3.054 20 0 EGADRP C[C@@H]1C(=O)CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C12CCCC2 ZINC001138774009 1377782330 /nfs/dbraw/zinc/78/23/30/1377782330.db2.gz WMAYKCPBDMKHHE-QGZVFWFLSA-N 2 0 344.499 3.351 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccnn3[C@@H]3CCCCO3)CC2)CC1 ZINC001138778222 1377783351 /nfs/dbraw/zinc/78/33/51/1377783351.db2.gz BAVKRLLZVUTTQS-FQEVSTJZSA-N 2 0 346.519 3.136 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(N(C)C)nc3)CC2)CC1 ZINC001139457960 1377885436 /nfs/dbraw/zinc/88/54/36/1377885436.db2.gz FYGTXMJORYDVFT-UHFFFAOYSA-N 2 0 344.547 3.482 20 0 EGADRP C[N@@H+](Cc1cnc(Cl)nc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139992269 1377988369 /nfs/dbraw/zinc/98/83/69/1377988369.db2.gz XCODODKOCVYXNF-UHFFFAOYSA-N 2 0 344.890 3.474 20 0 EGADRP CC/C=C\CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273134366 1378088933 /nfs/dbraw/zinc/08/89/33/1378088933.db2.gz JUPMYSNCWCQUCF-CQQBRXBZSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)NC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001140615868 1378098445 /nfs/dbraw/zinc/09/84/45/1378098445.db2.gz JNHGVVSEERGMGM-UHFFFAOYSA-N 2 0 345.531 3.377 20 0 EGADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc[nH]c4)CC3)C2)cc1 ZINC001140705994 1378120334 /nfs/dbraw/zinc/12/03/34/1378120334.db2.gz HWCRKNBTGPEGOK-UHFFFAOYSA-N 2 0 339.483 3.190 20 0 EGADRP Cn1cnc2ccc(C[N@H+](C3CCCC3)C3CCN(C)CC3)cc21 ZINC001140743093 1378128566 /nfs/dbraw/zinc/12/85/66/1378128566.db2.gz XXJDSXQAWMVLON-UHFFFAOYSA-N 2 0 326.488 3.412 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)c(C)c1 ZINC001275135847 1378134488 /nfs/dbraw/zinc/13/44/88/1378134488.db2.gz ODLVRDFVGXHZJB-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CS[C@@H](C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(=O)[nH]3)(C1)CCC2 ZINC001276470945 1378174694 /nfs/dbraw/zinc/17/46/94/1378174694.db2.gz UWRYOXMLCJSAGD-ZYSHUDEJSA-N 2 0 349.544 3.453 20 0 EGADRP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975121 1378197226 /nfs/dbraw/zinc/19/72/26/1378197226.db2.gz NSYXAOZAGJBHTA-SFHVURJKSA-N 2 0 335.495 3.385 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(-c3ncccn3)cc1)CC2 ZINC001141190360 1378262382 /nfs/dbraw/zinc/26/23/82/1378262382.db2.gz CPNYKIRVBJHZHJ-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001141284568 1378291084 /nfs/dbraw/zinc/29/10/84/1378291084.db2.gz DDPGOFBITHNPTK-WOJBJXKFSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001280770504 1378372470 /nfs/dbraw/zinc/37/24/70/1378372470.db2.gz QYGFMAOYSRJMEB-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C(=O)OC(C)(C)C)cc1)CC2 ZINC001142204811 1378419951 /nfs/dbraw/zinc/41/99/51/1378419951.db2.gz MUZUSZISCKGZGH-UHFFFAOYSA-N 2 0 330.472 3.170 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCCC2)CC1 ZINC001282678501 1378551797 /nfs/dbraw/zinc/55/17/97/1378551797.db2.gz UPZUDJFEBIBPOP-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(O)cn1)CC2 ZINC001144259887 1378706174 /nfs/dbraw/zinc/70/61/74/1378706174.db2.gz TXAOKMHUQNLJSJ-LJQANCHMSA-N 2 0 341.455 3.257 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001144431021 1378731152 /nfs/dbraw/zinc/73/11/52/1378731152.db2.gz MHTISZCDZJURCE-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001283324543 1378808024 /nfs/dbraw/zinc/80/80/24/1378808024.db2.gz AKFNNBOLGSOFJY-QGZVFWFLSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2cccc(C)c2)CC1 ZINC001283339945 1378822772 /nfs/dbraw/zinc/82/27/72/1378822772.db2.gz ATTBJYRZRXKTJB-GOSISDBHSA-N 2 0 345.531 3.321 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001146391708 1378833370 /nfs/dbraw/zinc/83/33/70/1378833370.db2.gz IUKOHVSMUYZBAR-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583917 1378871360 /nfs/dbraw/zinc/87/13/60/1378871360.db2.gz PVSHQDWIUMSBAG-IAGOWNOFSA-N 2 0 345.531 3.425 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1C ZINC001146593895 1378873192 /nfs/dbraw/zinc/87/31/92/1378873192.db2.gz RDFMGBRRELMANL-MSOLQXFVSA-N 2 0 333.520 3.017 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001146592731 1378873759 /nfs/dbraw/zinc/87/37/59/1378873759.db2.gz KXOJQUYTXBKGQW-IRXDYDNUSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001146614318 1378877699 /nfs/dbraw/zinc/87/76/99/1378877699.db2.gz XTOXFEHOVVCHKW-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146612508 1378877836 /nfs/dbraw/zinc/87/78/36/1378877836.db2.gz PZXINHBKQVZNCX-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CC2)o1 ZINC001146699006 1378899683 /nfs/dbraw/zinc/89/96/83/1378899683.db2.gz BJGRUYOZGSLVGV-HUUCEWRRSA-N 2 0 335.492 3.018 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC2CC2)o1 ZINC001146702313 1378901773 /nfs/dbraw/zinc/90/17/73/1378901773.db2.gz VFERAGACZUGPIN-HZPDHXFCSA-N 2 0 349.519 3.408 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1c(C)cc(C(C)(C)C)cc1C ZINC001146709744 1378904916 /nfs/dbraw/zinc/90/49/16/1378904916.db2.gz CHWQSFGJFNQOEM-UHFFFAOYSA-N 2 0 347.547 3.149 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001146933302 1378945263 /nfs/dbraw/zinc/94/52/63/1378945263.db2.gz GXYLVCPXYKKTDH-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001146933298 1378945400 /nfs/dbraw/zinc/94/54/00/1378945400.db2.gz GXYLVCPXYKKTDH-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001147348922 1379007588 /nfs/dbraw/zinc/00/75/88/1379007588.db2.gz JVVDVTMTYGKBLT-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001147359995 1379009384 /nfs/dbraw/zinc/00/93/84/1379009384.db2.gz YXGOQTOEUDYBQI-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CCCc1ccccc1 ZINC001147449352 1379022957 /nfs/dbraw/zinc/02/29/57/1379022957.db2.gz PMBHOCOWTSAHAV-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001147449277 1379023013 /nfs/dbraw/zinc/02/30/13/1379023013.db2.gz MEBZUSNNMGFROP-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001148364850 1379157114 /nfs/dbraw/zinc/15/71/14/1379157114.db2.gz DXUROPNNXPRTLR-KRWDZBQOSA-N 2 0 347.547 3.483 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148551730 1379209799 /nfs/dbraw/zinc/20/97/99/1379209799.db2.gz STHWUJTWDCOQGF-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@H+](CCCC1CCCC1)C2 ZINC001148636365 1379231256 /nfs/dbraw/zinc/23/12/56/1379231256.db2.gz VDNSCNVRXJVKBH-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777132 1379266227 /nfs/dbraw/zinc/26/62/27/1379266227.db2.gz ACYFFXNHCYHVPN-ARJAWSKDSA-N 2 0 347.547 3.143 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001152432903 1379933729 /nfs/dbraw/zinc/93/37/29/1379933729.db2.gz PVYMUTHWFPIOKS-LBPRGKRZSA-N 2 0 346.302 3.100 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C)[NH+](C)C ZINC001284642244 1380047893 /nfs/dbraw/zinc/04/78/93/1380047893.db2.gz MRRHDKXRBRXCPM-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP CCc1nccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCCC1 ZINC001153433138 1380076163 /nfs/dbraw/zinc/07/61/63/1380076163.db2.gz SLYOYEMXBKWIQX-DLBZAZTESA-N 2 0 348.535 3.413 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCCCC1 ZINC001153721030 1380118939 /nfs/dbraw/zinc/11/89/39/1380118939.db2.gz RLEFHBJNPFPNPF-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819004 1380136126 /nfs/dbraw/zinc/13/61/26/1380136126.db2.gz JWFKOCIZKBAQBI-TYFAACHXSA-N 2 0 337.552 3.432 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823941 1380137396 /nfs/dbraw/zinc/13/73/96/1380137396.db2.gz FNIUXALXGCTPFS-VQIMIIECSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854525 1380144447 /nfs/dbraw/zinc/14/44/47/1380144447.db2.gz HHGLERHLVFFOHT-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C)c1 ZINC001154069446 1380197967 /nfs/dbraw/zinc/19/79/67/1380197967.db2.gz FHCQTSIOINWPNP-QGZVFWFLSA-N 2 0 333.520 3.052 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C ZINC001154069633 1380198467 /nfs/dbraw/zinc/19/84/67/1380198467.db2.gz JTLHYUWAKYYJIT-QGZVFWFLSA-N 2 0 333.520 3.052 20 0 EGADRP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116917 1380211846 /nfs/dbraw/zinc/21/18/46/1380211846.db2.gz ZBYQMDXIXRRFTR-ISXOHVOVSA-N 2 0 342.487 3.129 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154122500 1380212610 /nfs/dbraw/zinc/21/26/10/1380212610.db2.gz DGFVKOSGIBBLHE-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347906 1380261257 /nfs/dbraw/zinc/26/12/57/1380261257.db2.gz NTZOZQGPUFCKRL-MRXNPFEDSA-N 2 0 342.487 3.355 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844721 1380363475 /nfs/dbraw/zinc/36/34/75/1380363475.db2.gz WMGLGJLNUURADJ-OTWHNJEPSA-N 2 0 345.531 3.052 20 0 EGADRP CC[N@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888898 1380373685 /nfs/dbraw/zinc/37/36/85/1380373685.db2.gz ZNZKZUNLEXASPC-CQSZACIVSA-N 2 0 349.500 3.043 20 0 EGADRP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005185 1380389094 /nfs/dbraw/zinc/38/90/94/1380389094.db2.gz HYGGBDCRUVLXSQ-QGZVFWFLSA-N 2 0 333.520 3.088 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023594 1380393085 /nfs/dbraw/zinc/39/30/85/1380393085.db2.gz KXXNHFAYPRPOKR-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCC1)[NH+](CC)CC ZINC001155180845 1380420255 /nfs/dbraw/zinc/42/02/55/1380420255.db2.gz SYAMIHWEIMTCFJ-SJLPKXTDSA-N 2 0 325.541 3.124 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180870 1380420307 /nfs/dbraw/zinc/42/03/07/1380420307.db2.gz VABSHHKYUYOQIP-AEFFLSMTSA-N 2 0 327.557 3.370 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263898 1380430147 /nfs/dbraw/zinc/43/01/47/1380430147.db2.gz XKJQAUMENVTIDF-QXPKXGMISA-N 2 0 325.541 3.147 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC001155803040 1380493223 /nfs/dbraw/zinc/49/32/23/1380493223.db2.gz VUBDAOOIGNXEQY-UZLBHIALSA-N 2 0 339.483 3.091 20 0 EGADRP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001156319618 1380558039 /nfs/dbraw/zinc/55/80/39/1380558039.db2.gz ZKNOEEYNUFAROO-UYAOXDASSA-N 2 0 345.531 3.472 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156319160 1380558103 /nfs/dbraw/zinc/55/81/03/1380558103.db2.gz OMUQUMAFMYOUMM-MJGOQNOKSA-N 2 0 333.520 3.306 20 0 EGADRP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475705 1380580988 /nfs/dbraw/zinc/58/09/88/1380580988.db2.gz QUOSWUAICATYGO-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP CC[N@H+](CCCc1ccccc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475770 1380581246 /nfs/dbraw/zinc/58/12/46/1380581246.db2.gz TXMGMBSMGHANOK-LJQANCHMSA-N 2 0 347.547 3.178 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157110013 1380778983 /nfs/dbraw/zinc/77/89/83/1380778983.db2.gz XRCCJIJXDBMCEU-RTBURBONSA-N 2 0 337.552 3.290 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255791 1380824786 /nfs/dbraw/zinc/82/47/86/1380824786.db2.gz LLJJRTMYGNQKMD-OVKVCFKUSA-N 2 0 337.552 3.435 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157950951 1381079153 /nfs/dbraw/zinc/07/91/53/1381079153.db2.gz LQSATPWMNXSTPN-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001158038602 1381109828 /nfs/dbraw/zinc/10/98/28/1381109828.db2.gz QAFKPHOVKVNEQU-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1nc(N2CCCC2)cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001158265181 1381177571 /nfs/dbraw/zinc/17/75/71/1381177571.db2.gz FSXQSQTUTFHNFK-KXBFYZLASA-N 2 0 331.508 3.341 20 0 EGADRP C[NH+](CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1)C1CCCCC1 ZINC001158282870 1381184167 /nfs/dbraw/zinc/18/41/67/1381184167.db2.gz CBZMAGPTUCPSEE-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329502 1381202211 /nfs/dbraw/zinc/20/22/11/1381202211.db2.gz OTABXTQWMULHJI-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158444535 1381246712 /nfs/dbraw/zinc/24/67/12/1381246712.db2.gz APWMUXMSUVYUKA-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158438603 1381247324 /nfs/dbraw/zinc/24/73/24/1381247324.db2.gz ZRCOAGAYZLTBIE-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)C/C=C\Cl)CC(C)(C)C ZINC001158480984 1381260905 /nfs/dbraw/zinc/26/09/05/1381260905.db2.gz USOKSISCOIOELS-SIJIIQCFSA-N 2 0 343.943 3.030 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C)[NH+](C)C ZINC001158487176 1381263645 /nfs/dbraw/zinc/26/36/45/1381263645.db2.gz VZNADNYMICGRAP-MSOLQXFVSA-N 2 0 339.568 3.466 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001158549338 1381292086 /nfs/dbraw/zinc/29/20/86/1381292086.db2.gz CKDZLIBNMUZHTM-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc2ccnc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)c12 ZINC001158589465 1381310367 /nfs/dbraw/zinc/31/03/67/1381310367.db2.gz RQWXKEFOIPMCLX-UHFFFAOYSA-N 2 0 338.499 3.196 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001158616102 1381322809 /nfs/dbraw/zinc/32/28/09/1381322809.db2.gz BFBLCJHFIVHXSN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646094 1381335399 /nfs/dbraw/zinc/33/53/99/1381335399.db2.gz GJCDEBOQXQMDBN-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328285083 1388715058 /nfs/dbraw/zinc/71/50/58/1388715058.db2.gz QLMVCTXPJSPDEY-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852323 1381433282 /nfs/dbraw/zinc/43/32/82/1381433282.db2.gz BCNKBHHZWWXMFH-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158853322 1381434650 /nfs/dbraw/zinc/43/46/50/1381434650.db2.gz SAUFUCLPADTCFB-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001158922616 1381464674 /nfs/dbraw/zinc/46/46/74/1381464674.db2.gz FWAAFBMPZHYVBY-AZUAARDMSA-N 2 0 345.531 3.401 20 0 EGADRP C[N@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949008 1381479294 /nfs/dbraw/zinc/47/92/94/1381479294.db2.gz DKOWCHOEYKINIM-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP COc1ccccc1CCC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001328356348 1388729296 /nfs/dbraw/zinc/72/92/96/1388729296.db2.gz UKQLEYWRZSEZKT-UHFFFAOYSA-N 2 0 336.395 3.156 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001328401201 1388737433 /nfs/dbraw/zinc/73/74/33/1388737433.db2.gz UQPMRFRYBSFDMN-HRCADAONSA-N 2 0 334.533 3.001 20 0 EGADRP c1cc(Nc2c[nH+]ccc2N2CCCCC2)cc(N2CC[NH2+]CC2)c1 ZINC001159364599 1381778359 /nfs/dbraw/zinc/77/83/59/1381778359.db2.gz UHIJYEPNRHVWFD-UHFFFAOYSA-N 2 0 337.471 3.225 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2cccc(OCC[NH3+])c2)cc1 ZINC001159436009 1381793219 /nfs/dbraw/zinc/79/32/19/1381793219.db2.gz ROKNSDMOKMJYGX-UHFFFAOYSA-N 2 0 329.444 3.098 20 0 EGADRP Cc1c[nH+]c(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)cc1C ZINC001159629094 1381853294 /nfs/dbraw/zinc/85/32/94/1381853294.db2.gz OTGGBRVWKRBQKG-MXVIHJGJSA-N 2 0 342.531 3.449 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc(C3([NH3+])CCC3)cc2)cn1 ZINC001159731033 1381883794 /nfs/dbraw/zinc/88/37/94/1381883794.db2.gz WDDJRBGQDBASLQ-UHFFFAOYSA-N 2 0 340.471 3.494 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC001159787652 1381899950 /nfs/dbraw/zinc/89/99/50/1381899950.db2.gz ASVZNUFFAGWVPA-IBGZPJMESA-N 2 0 333.439 3.246 20 0 EGADRP c1[nH+]cn(Cc2ccccc2)c1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159858039 1381921338 /nfs/dbraw/zinc/92/13/38/1381921338.db2.gz MARDITMMMWAZGU-UHFFFAOYSA-N 2 0 333.439 3.085 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc[nH+]c(N)n3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001159886803 1381929016 /nfs/dbraw/zinc/92/90/16/1381929016.db2.gz LMRYGTBNPWNFMZ-GGGWTEGZSA-N 2 0 331.508 3.429 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001159911044 1381934773 /nfs/dbraw/zinc/93/47/73/1381934773.db2.gz WUYZLFZTSPKUPK-FQEVSTJZSA-N 2 0 345.531 3.162 20 0 EGADRP Fc1ccc(N2CC[NH2+]CC2)c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001160053016 1381982135 /nfs/dbraw/zinc/98/21/35/1381982135.db2.gz QQLFMJGIXJNISA-SFHVURJKSA-N 2 0 340.446 3.403 20 0 EGADRP Fc1cccc(N2CC[NH2+]CC2)c1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001160056933 1381984994 /nfs/dbraw/zinc/98/49/94/1381984994.db2.gz ABRFAGGQZSIEGK-QGZVFWFLSA-N 2 0 344.478 3.179 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119748 1382003212 /nfs/dbraw/zinc/00/32/12/1382003212.db2.gz HUPQEFFNCKTJPS-KKHYBRAUSA-N 2 0 347.547 3.354 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)cc1 ZINC001160164314 1382022511 /nfs/dbraw/zinc/02/25/11/1382022511.db2.gz YYEYXNJHTNKVOJ-QGZVFWFLSA-N 2 0 329.419 3.372 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175131 1382025372 /nfs/dbraw/zinc/02/53/72/1382025372.db2.gz AYCRDKZHJSYJGR-IEBWSBKVSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001160274452 1382057816 /nfs/dbraw/zinc/05/78/16/1382057816.db2.gz SMFBSNULEVFCNA-OALUTQOASA-N 2 0 331.504 3.108 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360074 1382083108 /nfs/dbraw/zinc/08/31/08/1382083108.db2.gz IENLELMBZAJAFF-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP c1ccc(C[N@@H+]2CCC=C(Nc3cccc4c3[C@@H]3C[NH2+]C[C@@H]3O4)C2)cc1 ZINC001160394262 1382092520 /nfs/dbraw/zinc/09/25/20/1382092520.db2.gz GTBZYJMNJAKCNF-NQIIRXRSSA-N 2 0 347.462 3.336 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406262 1382095806 /nfs/dbraw/zinc/09/58/06/1382095806.db2.gz MCYIUOXRZNGMFF-IBGZPJMESA-N 2 0 337.552 3.147 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001160501065 1382125420 /nfs/dbraw/zinc/12/54/20/1382125420.db2.gz VTAFJPDVJPDQFJ-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)(C)CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160857239 1382218203 /nfs/dbraw/zinc/21/82/03/1382218203.db2.gz WQSCNJMDCWZOTE-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP COc1cc2ccnc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c2cc1F ZINC001160952007 1382249120 /nfs/dbraw/zinc/24/91/20/1382249120.db2.gz PBLNCWLOLUVAPP-UHFFFAOYSA-N 2 0 336.370 3.223 20 0 EGADRP CC(C)(C)c1nc2[nH]ccc2c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160950618 1382249388 /nfs/dbraw/zinc/24/93/88/1382249388.db2.gz OJDOZYOWUBRQOQ-UHFFFAOYSA-N 2 0 334.427 3.096 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001160986055 1382261596 /nfs/dbraw/zinc/26/15/96/1382261596.db2.gz LLZYSKTWUVRXLG-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1 ZINC001161028996 1382276546 /nfs/dbraw/zinc/27/65/46/1382276546.db2.gz JJDUWVZBWFGDHE-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001161206455 1382340037 /nfs/dbraw/zinc/34/00/37/1382340037.db2.gz JSGOAKVJHYTROH-SFHVURJKSA-N 2 0 345.531 3.110 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219876 1382346037 /nfs/dbraw/zinc/34/60/37/1382346037.db2.gz OZVQQAGECFIZFG-BQYQJAHWSA-N 2 0 349.563 3.459 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161220194 1382347290 /nfs/dbraw/zinc/34/72/90/1382347290.db2.gz YMMQKPBCAPMCQP-MOPGFXCFSA-N 2 0 349.563 3.149 20 0 EGADRP COc1ccc(C2(Nc3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)cc1 ZINC001161262370 1382355761 /nfs/dbraw/zinc/35/57/61/1382355761.db2.gz ONDAXOFLHXYWAL-UHFFFAOYSA-N 2 0 338.455 3.119 20 0 EGADRP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC001161439268 1382411493 /nfs/dbraw/zinc/41/14/93/1382411493.db2.gz SNTIIMSLBFWFQB-GOSISDBHSA-N 2 0 349.494 3.012 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001161524858 1382430313 /nfs/dbraw/zinc/43/03/13/1382430313.db2.gz OWRYJEJWEBAPOD-KURKYZTESA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCNc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001161671511 1382475980 /nfs/dbraw/zinc/47/59/80/1382475980.db2.gz UEHJUQHVBXSRFU-IBGZPJMESA-N 2 0 326.488 3.139 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](C(C)C)CC1 ZINC001161678937 1382478502 /nfs/dbraw/zinc/47/85/02/1382478502.db2.gz PFKOCNFAHFBHBJ-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161758562 1382496760 /nfs/dbraw/zinc/49/67/60/1382496760.db2.gz GTMLTDKLUBXIBM-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccc(C2CC2)cc1)c1ccn2c[nH+]cc2c1 ZINC001161872530 1382535780 /nfs/dbraw/zinc/53/57/80/1382535780.db2.gz GWQJOLFRYMLWDR-UHFFFAOYSA-N 2 0 348.450 3.121 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C3(C[NH+](C)C)CC3)c2)CC1 ZINC001295133618 1382551434 /nfs/dbraw/zinc/55/14/34/1382551434.db2.gz HOINQGPGZHFBMC-UHFFFAOYSA-N 2 0 343.515 3.241 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001161952025 1382567782 /nfs/dbraw/zinc/56/77/82/1382567782.db2.gz ANBFIVRFNIMZBC-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(NC[C@H]2C[NH2+]CC(C)(C)O2)nc1 ZINC001161956886 1382570564 /nfs/dbraw/zinc/57/05/64/1382570564.db2.gz UPLFUXINPDSQAN-QZTJIDSGSA-N 2 0 346.519 3.198 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nc2ccccc2c(-c2ccccc2)n1 ZINC001162290337 1382722871 /nfs/dbraw/zinc/72/28/71/1382722871.db2.gz OZTRIBZBAPKOIS-UHFFFAOYSA-N 2 0 349.482 3.427 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccccc1C1CC1)c1ccc2c[nH+]cn2c1 ZINC001162617556 1382811306 /nfs/dbraw/zinc/81/13/06/1382811306.db2.gz MIDIOGCRJUXSTL-UHFFFAOYSA-N 2 0 348.450 3.121 20 0 EGADRP [NH3+]C1CCN(c2cccc(N[C@@H]3CCc4c3c(F)ccc4F)[nH+]2)CC1 ZINC001162932403 1382919884 /nfs/dbraw/zinc/91/98/84/1382919884.db2.gz PIMKPMBXYPUWSQ-MRXNPFEDSA-N 2 0 344.409 3.387 20 0 EGADRP c1cc([C@@H]2CCC[NH2+]C2)ccc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966219 1382930652 /nfs/dbraw/zinc/93/06/52/1382930652.db2.gz FHYJAKRPHKESLE-UYAOXDASSA-N 2 0 343.515 3.114 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)nc2cc(C)ccc21 ZINC001163125982 1382970708 /nfs/dbraw/zinc/97/07/08/1382970708.db2.gz LLJIOJLDWPWFFX-UHFFFAOYSA-N 2 0 333.867 3.475 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001163242944 1383003235 /nfs/dbraw/zinc/00/32/35/1383003235.db2.gz PNIMOJKKZKNHSB-QRVBRYPASA-N 2 0 349.563 3.031 20 0 EGADRP Cc1cccc(C[NH2+]CCCNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001163242622 1383003417 /nfs/dbraw/zinc/00/34/17/1383003417.db2.gz OETCVGYURUYLRM-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001163249097 1383004951 /nfs/dbraw/zinc/00/49/51/1383004951.db2.gz VTZRJNFNEJDNBG-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001163328037 1383023026 /nfs/dbraw/zinc/02/30/26/1383023026.db2.gz NZPJQGDUMMMYLD-PXNSSMCTSA-N 2 0 327.472 3.011 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163332469 1383024096 /nfs/dbraw/zinc/02/40/96/1383024096.db2.gz JWXNTFGKTZRIKM-TZIWHRDSSA-N 2 0 343.515 3.304 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164492248 1383192885 /nfs/dbraw/zinc/19/28/85/1383192885.db2.gz YWLXIISJUZJWNU-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP Cc1[nH+]c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)cc2[nH]ccc21 ZINC001165270355 1383263439 /nfs/dbraw/zinc/26/34/39/1383263439.db2.gz LZGIFFMBCNTYCY-HNNXBMFYSA-N 2 0 338.377 3.382 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165304742 1383269575 /nfs/dbraw/zinc/26/95/75/1383269575.db2.gz RLTGOJFMSRRRBJ-CQSZACIVSA-N 2 0 338.377 3.227 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165332284 1383275630 /nfs/dbraw/zinc/27/56/30/1383275630.db2.gz GQEIMNOCLMGIDO-IBGZPJMESA-N 2 0 347.547 3.237 20 0 EGADRP O=C(CCc1c[nH]cn1)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001165383528 1383283278 /nfs/dbraw/zinc/28/32/78/1383283278.db2.gz LLEKFIFHTSRPMO-UHFFFAOYSA-N 2 0 346.519 3.189 20 0 EGADRP CCCNc1cc(C)[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)n1 ZINC001165412291 1383290002 /nfs/dbraw/zinc/29/00/02/1383290002.db2.gz GOMHBXLHXPYDRP-UHFFFAOYSA-N 2 0 325.460 3.151 20 0 EGADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1)C1CCC1 ZINC001165501612 1383303529 /nfs/dbraw/zinc/30/35/29/1383303529.db2.gz NBRKWDNRWUUCAB-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)Oc1cc[nH+]c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001165669617 1383322183 /nfs/dbraw/zinc/32/21/83/1383322183.db2.gz MIYNIRFOWVSKSI-INIZCTEOSA-N 2 0 347.503 3.385 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC001165776309 1383343789 /nfs/dbraw/zinc/34/37/89/1383343789.db2.gz HOHUUZWLGKBPEH-MJGOQNOKSA-N 2 0 343.515 3.108 20 0 EGADRP COc1cc2[nH+]ccc(NCC3CC[NH+](C(C)C)CC3)c2cc1OC ZINC001166616106 1383447868 /nfs/dbraw/zinc/44/78/68/1383447868.db2.gz SXSQBRFCCOXVFB-UHFFFAOYSA-N 2 0 343.471 3.206 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)CC(C)(C)C ZINC001166750323 1383471523 /nfs/dbraw/zinc/47/15/23/1383471523.db2.gz CUAGJRQXHIYVJL-IBGZPJMESA-N 2 0 345.531 3.138 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)CC1 ZINC001166870279 1383490398 /nfs/dbraw/zinc/49/03/98/1383490398.db2.gz XJEGARVIEVWOIX-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CC2(CCNC(=O)CCC[NH+](C)C)CC2)c1 ZINC001166881128 1383492981 /nfs/dbraw/zinc/49/29/81/1383492981.db2.gz AAAKBXGDYFVUCN-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP [NH3+][C@@H]1CCN(c2[nH+]c(N3CCCC3)cc3ccccc32)CC1(F)F ZINC001166960748 1383505349 /nfs/dbraw/zinc/50/53/49/1383505349.db2.gz LEGKRUHZYBBUBU-OAHLLOKOSA-N 2 0 332.398 3.008 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001167480627 1383646548 /nfs/dbraw/zinc/64/65/48/1383646548.db2.gz NZGYVCPDHXVNPA-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599905 1383685837 /nfs/dbraw/zinc/68/58/37/1383685837.db2.gz VGVRSBJWDXTXDD-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167609566 1383688800 /nfs/dbraw/zinc/68/88/00/1383688800.db2.gz NKGHEILSNVANQI-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc(F)c1 ZINC001167620928 1383690382 /nfs/dbraw/zinc/69/03/82/1383690382.db2.gz VKUKZNKSLHAKOT-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001167626510 1383692778 /nfs/dbraw/zinc/69/27/78/1383692778.db2.gz CSZBIOPSVANGPR-UXHICEINSA-N 2 0 343.515 3.033 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167639697 1383695685 /nfs/dbraw/zinc/69/56/85/1383695685.db2.gz DVSJHLJRKXFBAX-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCS(=O)CC1 ZINC001167686161 1383710396 /nfs/dbraw/zinc/71/03/96/1383710396.db2.gz OQQRMHBUCIQXQU-UHFFFAOYSA-N 2 0 334.529 3.015 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167783629 1383739675 /nfs/dbraw/zinc/73/96/75/1383739675.db2.gz ABTUSVWTLBKUEV-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001167815088 1383747374 /nfs/dbraw/zinc/74/73/74/1383747374.db2.gz OLAHMECUGPEEKX-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC001167825242 1383750373 /nfs/dbraw/zinc/75/03/73/1383750373.db2.gz INEZQIFDSHTTNS-KRWDZBQOSA-N 2 0 344.503 3.460 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001167825379 1383750395 /nfs/dbraw/zinc/75/03/95/1383750395.db2.gz JZASJEVNVTXCBH-FHWLQOOXSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(OC)c2)C1 ZINC001167836217 1383754028 /nfs/dbraw/zinc/75/40/28/1383754028.db2.gz XTIUZYJFFLAGRD-AEFFLSMTSA-N 2 0 335.492 3.054 20 0 EGADRP CCN(CC)C(=O)NC1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835894 1383754120 /nfs/dbraw/zinc/75/41/20/1383754120.db2.gz VMTNTWJUUHMRHW-KRWDZBQOSA-N 2 0 340.556 3.013 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167836835 1383754794 /nfs/dbraw/zinc/75/47/94/1383754794.db2.gz HXGVPWWKUWTTDG-OAHLLOKOSA-N 2 0 327.513 3.048 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1nccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001167880451 1383764761 /nfs/dbraw/zinc/76/47/61/1383764761.db2.gz OGMGEIWHQRXVCA-UHFFFAOYSA-N 2 0 340.406 3.044 20 0 EGADRP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1OC ZINC001167960342 1383779161 /nfs/dbraw/zinc/77/91/61/1383779161.db2.gz YCWNCPQFUTZISV-AYHJJNSGSA-N 2 0 330.472 3.199 20 0 EGADRP c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)nc1 ZINC001167968645 1383781833 /nfs/dbraw/zinc/78/18/33/1383781833.db2.gz UWIOZOZVIBSKKJ-IHWFROFDSA-N 2 0 340.515 3.045 20 0 EGADRP c1cncc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167972903 1383782313 /nfs/dbraw/zinc/78/23/13/1383782313.db2.gz DTXXWMLFKOGZSO-IHWFROFDSA-N 2 0 340.515 3.045 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001167976338 1383784571 /nfs/dbraw/zinc/78/45/71/1383784571.db2.gz AXDVRBCTYXBVTI-INIZCTEOSA-N 2 0 334.508 3.045 20 0 EGADRP c1ccc2c(c1)OC[C@H](CC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)O2 ZINC001167978638 1383785123 /nfs/dbraw/zinc/78/51/23/1383785123.db2.gz QBCUNTMKMAEMMQ-IPQPSQTFSA-N 2 0 342.483 3.212 20 0 EGADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(N1CCCC[C@@H]1C[NH+]1CCCC1)C2 ZINC001167995467 1383791619 /nfs/dbraw/zinc/79/16/19/1383791619.db2.gz GNNDSNULZHIKMS-JQKXYWIWSA-N 2 0 331.548 3.342 20 0 EGADRP Cc1ccc(O[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)nc1 ZINC001168002815 1383792971 /nfs/dbraw/zinc/79/29/71/1383792971.db2.gz ZIRPGWKSMKRUMY-JIRNRHONSA-N 2 0 341.499 3.249 20 0 EGADRP CCOC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013695 1383796752 /nfs/dbraw/zinc/79/67/52/1383796752.db2.gz INHRTOFXXJPIDI-BMFAXAFESA-N 2 0 332.488 3.359 20 0 EGADRP C[C@@H]1CC([NH2+]CCC2(C)OCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018582 1383797374 /nfs/dbraw/zinc/79/73/74/1383797374.db2.gz ZZXDCQPXGGMEBD-IAGOWNOFSA-N 2 0 332.488 3.171 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2CCC(C)(C(N)=O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168051316 1383804801 /nfs/dbraw/zinc/80/48/01/1383804801.db2.gz HFDJEXVDXCAVCN-IZZQQSIFSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@H]1C[C@H](n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)CCO1 ZINC001168087624 1383813920 /nfs/dbraw/zinc/81/39/20/1383813920.db2.gz MEDBSAQHKAJYER-QFBILLFUSA-N 2 0 341.499 3.347 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)CCO1 ZINC001168118137 1383821174 /nfs/dbraw/zinc/82/11/74/1383821174.db2.gz OOIGERQIXRBEON-MJGOQNOKSA-N 2 0 343.515 3.326 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001168257191 1383854936 /nfs/dbraw/zinc/85/49/36/1383854936.db2.gz JRIJPIFKTMCECZ-FQEVSTJZSA-N 2 0 336.479 3.198 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CCCCC(=O)OCc2ccccc2)CC1 ZINC001168299875 1383867389 /nfs/dbraw/zinc/86/73/89/1383867389.db2.gz PNAXOZFTPUJFGC-UHFFFAOYSA-N 2 0 332.488 3.363 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168302405 1383867462 /nfs/dbraw/zinc/86/74/62/1383867462.db2.gz ROEUBIVSXVZVJX-KRWDZBQOSA-N 2 0 345.531 3.284 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001168318617 1383871304 /nfs/dbraw/zinc/87/13/04/1383871304.db2.gz DQABVNSBLDVCQQ-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168319002 1383871757 /nfs/dbraw/zinc/87/17/57/1383871757.db2.gz KSNPQJRYSPOLAB-JCYILVPMSA-N 2 0 339.524 3.191 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCc3ncc(Br)cc3C2)CC1 ZINC001168324903 1383873349 /nfs/dbraw/zinc/87/33/49/1383873349.db2.gz ZIFSQIZGPBVWQQ-UHFFFAOYSA-N 2 0 338.293 3.075 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335287 1383875736 /nfs/dbraw/zinc/87/57/36/1383875736.db2.gz GZVUPXKPLJFRBK-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001168335790 1383876679 /nfs/dbraw/zinc/87/66/79/1383876679.db2.gz UDLUQBCJHMHPSQ-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC001168351140 1383880478 /nfs/dbraw/zinc/88/04/78/1383880478.db2.gz HQRYFPJDCSGMCZ-UHFFFAOYSA-N 2 0 327.394 3.107 20 0 EGADRP [NH3+]C1(Cc2ccc(F)cc2)CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365843 1383884363 /nfs/dbraw/zinc/88/43/63/1383884363.db2.gz XZYWFKDYYCFHSL-UHFFFAOYSA-N 2 0 345.506 3.036 20 0 EGADRP CN(C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001168394550 1383895301 /nfs/dbraw/zinc/89/53/01/1383895301.db2.gz BQVWYGNJUBBRCJ-JOCHJYFZSA-N 2 0 341.543 3.457 20 0 EGADRP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168416533 1383901037 /nfs/dbraw/zinc/90/10/37/1383901037.db2.gz ZSFMMBMKFNQYOA-FQEVSTJZSA-N 2 0 339.458 3.114 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001168466093 1383914316 /nfs/dbraw/zinc/91/43/16/1383914316.db2.gz CVCIQKWLFDBLCO-KRWDZBQOSA-N 2 0 348.506 3.485 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168499232 1383925468 /nfs/dbraw/zinc/92/54/68/1383925468.db2.gz YAIJRHYRLFTLEQ-LJQANCHMSA-N 2 0 349.538 3.496 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001168607126 1383946755 /nfs/dbraw/zinc/94/67/55/1383946755.db2.gz PMWVPYWRCOJVFX-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP COc1ccc([C@H]2C[C@H]([N@H+](C)CCC[NH+]3CCCC3)CCO2)cc1 ZINC001168654852 1383959807 /nfs/dbraw/zinc/95/98/07/1383959807.db2.gz WJDRPTPRJCCFNR-UYAOXDASSA-N 2 0 332.488 3.333 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)C(C)C ZINC001168666995 1383964614 /nfs/dbraw/zinc/96/46/14/1383964614.db2.gz PFCYRSKGOXGGAF-CTWPCTMYSA-N 2 0 339.568 3.275 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C)cc1C)C(C)C ZINC001168666276 1383964801 /nfs/dbraw/zinc/96/48/01/1383964801.db2.gz DQAOGWVKYLRZHA-FQEVSTJZSA-N 2 0 347.547 3.266 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001168763956 1383996235 /nfs/dbraw/zinc/99/62/35/1383996235.db2.gz VJCBRTRUXPTZPR-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP COC(=O)C1(C)CCC([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001168788543 1384004996 /nfs/dbraw/zinc/00/49/96/1384004996.db2.gz YYMSYZJWKCVCNJ-UHFFFAOYSA-N 2 0 340.483 3.007 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168812050 1384015571 /nfs/dbraw/zinc/01/55/71/1384015571.db2.gz PHAPXFHUNFCPNB-IXDOHACOSA-N 2 0 339.524 3.238 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129935 1384111254 /nfs/dbraw/zinc/11/12/54/1384111254.db2.gz MGMWMQWUGJWBJV-AXVVYFOYSA-N 2 0 349.519 3.087 20 0 EGADRP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126862 1384111433 /nfs/dbraw/zinc/11/14/33/1384111433.db2.gz YEUPJAQCWMRJKU-AERCQKQUSA-N 2 0 327.516 3.208 20 0 EGADRP COCC[N@H+](C)Cc1ccnc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169141500 1384112840 /nfs/dbraw/zinc/11/28/40/1384112840.db2.gz JWKWNKMVRQDLAC-PXNSSMCTSA-N 2 0 348.535 3.115 20 0 EGADRP CC1(C)C[C@H](Nc2cc(O[C@H]3CCOC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169145742 1384114551 /nfs/dbraw/zinc/11/45/51/1384114551.db2.gz HAJDXIQMFODETN-QOKNQOGYSA-N 2 0 333.476 3.205 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145564 1384114572 /nfs/dbraw/zinc/11/45/72/1384114572.db2.gz MZOHVQKTWCNSRD-CBPXPLCBSA-N 2 0 339.527 3.210 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc2ccccc2n1C(C)C ZINC001308327380 1384119510 /nfs/dbraw/zinc/11/95/10/1384119510.db2.gz HFXYPGSHULWMDM-INIZCTEOSA-N 2 0 332.492 3.064 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2cc(Br)ccc2OC)CC1 ZINC001169221548 1384124172 /nfs/dbraw/zinc/12/41/72/1384124172.db2.gz JTEXADASJZPTCA-UHFFFAOYSA-N 2 0 341.293 3.074 20 0 EGADRP CC[NH+]1CCC(N2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001169261934 1384128828 /nfs/dbraw/zinc/12/88/28/1384128828.db2.gz RKOJAFNXKHWEGI-UHFFFAOYSA-N 2 0 333.495 3.206 20 0 EGADRP C[NH+]1CCC(C[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169267937 1384129999 /nfs/dbraw/zinc/12/99/99/1384129999.db2.gz CQGTXCMLNATMJO-UHFFFAOYSA-N 2 0 330.472 3.086 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169273871 1384130673 /nfs/dbraw/zinc/13/06/73/1384130673.db2.gz ZBTXXDGDOPZKGQ-VIQWUECVSA-N 2 0 330.472 3.229 20 0 EGADRP [NH3+]Cc1ccc2c(n1)N(c1ccc3c(c1)C1(CC3)CC[NH2+]CC1)CCC2 ZINC001169592388 1384163264 /nfs/dbraw/zinc/16/32/64/1384163264.db2.gz QDQNURCIHQMBHL-UHFFFAOYSA-N 2 0 348.494 3.192 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](C(CC)CC)CC2)CC1 ZINC001169664066 1384170417 /nfs/dbraw/zinc/17/04/17/1384170417.db2.gz IRVGVLXSPPZUCX-MRXNPFEDSA-N 2 0 339.524 3.240 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809599 1384187666 /nfs/dbraw/zinc/18/76/66/1384187666.db2.gz JGVOCLVLXMQMNO-IEBWSBKVSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809578 1384187726 /nfs/dbraw/zinc/18/77/26/1384187726.db2.gz JBFCZBMKQSEXMU-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078470 1384229615 /nfs/dbraw/zinc/22/96/15/1384229615.db2.gz SGMALQQQGRPMDL-WOJBJXKFSA-N 2 0 340.552 3.262 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527499 1384335376 /nfs/dbraw/zinc/33/53/76/1384335376.db2.gz YOGKBVHHXVHXEI-NCXUSEDFSA-N 2 0 336.520 3.480 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527498 1384335637 /nfs/dbraw/zinc/33/56/37/1384335637.db2.gz YOGKBVHHXVHXEI-MKXGPGLRSA-N 2 0 336.520 3.480 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769957 1384382923 /nfs/dbraw/zinc/38/29/23/1384382923.db2.gz QUBFOYFSJVMNOJ-SOGBHIHOSA-N 2 0 343.943 3.268 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820074 1384391186 /nfs/dbraw/zinc/39/11/86/1384391186.db2.gz WOTZOYUMFAKLQA-HKUYNNGSSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170870873 1384402072 /nfs/dbraw/zinc/40/20/72/1384402072.db2.gz LAALTLRYIITLPH-ZHALLVOQSA-N 2 0 337.552 3.172 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1 ZINC001170898507 1384407410 /nfs/dbraw/zinc/40/74/10/1384407410.db2.gz ORPMMCLUYHYUOL-AWEZNQCLSA-N 2 0 340.349 3.083 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171069294 1384440531 /nfs/dbraw/zinc/44/05/31/1384440531.db2.gz NXUSEBOKMBALJA-ICUWKNINSA-N 2 0 343.531 3.287 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107237 1384447164 /nfs/dbraw/zinc/44/71/64/1384447164.db2.gz AGIGRLBPOYCVNI-BZSNNMDCSA-N 2 0 334.891 3.168 20 0 EGADRP C[NH+](C)CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171235909 1384476671 /nfs/dbraw/zinc/47/66/71/1384476671.db2.gz FAHNSRWARSVYNV-IHWFROFDSA-N 2 0 343.515 3.144 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247678 1384477670 /nfs/dbraw/zinc/47/76/70/1384477670.db2.gz NAKJZMHGTJJJFG-VQIMIIECSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246927 1384477753 /nfs/dbraw/zinc/47/77/53/1384477753.db2.gz IMIMJEDNOHMDRW-QFBILLFUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CCCF)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248057 1384478372 /nfs/dbraw/zinc/47/83/72/1384478372.db2.gz QIOKEDFLSDTTHF-AEFFLSMTSA-N 2 0 341.515 3.018 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248390 1384478485 /nfs/dbraw/zinc/47/84/85/1384478485.db2.gz UEJYIHRSDBCPKA-PXNSSMCTSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001316619011 1384485229 /nfs/dbraw/zinc/48/52/29/1384485229.db2.gz XRYVJIHHZGQXQW-MDNKFWRPSA-N 2 0 345.531 3.208 20 0 EGADRP Fc1cc(F)c2c(c1)C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171353438 1384499692 /nfs/dbraw/zinc/49/96/92/1384499692.db2.gz FYJAGGYGZJKVOE-QGZVFWFLSA-N 2 0 343.421 3.476 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC001171500246 1384543237 /nfs/dbraw/zinc/54/32/37/1384543237.db2.gz JLCHPNRFQBWMOU-UYAOXDASSA-N 2 0 347.547 3.408 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509084 1384545555 /nfs/dbraw/zinc/54/55/55/1384545555.db2.gz LXYGKIRFYSGVES-PHWHVTFISA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171537786 1384555371 /nfs/dbraw/zinc/55/53/71/1384555371.db2.gz HJNHPMIBQKQJQE-VQIMIIECSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001171537421 1384555451 /nfs/dbraw/zinc/55/54/51/1384555451.db2.gz CEUCDYQAJYIZNZ-AZUAARDMSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171537815 1384556385 /nfs/dbraw/zinc/55/63/85/1384556385.db2.gz HYZASGXKZRFPAG-APWZRJJASA-N 2 0 349.494 3.075 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571415 1384567322 /nfs/dbraw/zinc/56/73/22/1384567322.db2.gz XRKCNVDHKDRYNH-SFTDATJTSA-N 2 0 342.527 3.428 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001171586398 1384572685 /nfs/dbraw/zinc/57/26/85/1384572685.db2.gz NKHHBYUIQWBODE-CGZBRXJRSA-N 2 0 325.541 3.027 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC1(C)C ZINC001171620664 1384582409 /nfs/dbraw/zinc/58/24/09/1384582409.db2.gz CNBJNKCTBBWESE-UHFFFAOYSA-N 2 0 339.524 3.285 20 0 EGADRP CC(C)CC(=O)N1CCC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171623425 1384582813 /nfs/dbraw/zinc/58/28/13/1384582813.db2.gz YGYMILITXAZTEL-UHFFFAOYSA-N 2 0 337.552 3.265 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]([C@@H](N)C(F)(F)F)C2)CC1(C)C ZINC001171631100 1384586344 /nfs/dbraw/zinc/58/63/44/1384586344.db2.gz WEVCJMHQKFEPTO-GXTWGEPZSA-N 2 0 335.458 3.239 20 0 EGADRP COc1ccc(O[C@H]2CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)nc1 ZINC001171641697 1384590207 /nfs/dbraw/zinc/59/02/07/1384590207.db2.gz UCGHOWPYFNYBGJ-KRWDZBQOSA-N 2 0 347.503 3.195 20 0 EGADRP COC(=O)[C@@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)Cc2ccccc21 ZINC001171642732 1384590406 /nfs/dbraw/zinc/59/04/06/1384590406.db2.gz LYDWNJLAACWVPR-GOSISDBHSA-N 2 0 344.499 3.410 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001316900122 1384679184 /nfs/dbraw/zinc/67/91/84/1384679184.db2.gz UHWGFILNOCVHCN-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929165 1384685465 /nfs/dbraw/zinc/68/54/65/1384685465.db2.gz HPAWCHYHNZXATK-SJORKVTESA-N 2 0 343.531 3.264 20 0 EGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977810 1384702239 /nfs/dbraw/zinc/70/22/39/1384702239.db2.gz DKQXNFFUZMBHTL-MOPGFXCFSA-N 2 0 343.515 3.030 20 0 EGADRP CC1(C)C[C@H](N(CC[NH3+])c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171982491 1384703918 /nfs/dbraw/zinc/70/39/18/1384703918.db2.gz JALYSKXBLVPSIV-LJQANCHMSA-N 2 0 338.499 3.290 20 0 EGADRP C[N@@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC001171989152 1384704918 /nfs/dbraw/zinc/70/49/18/1384704918.db2.gz YWMXBMXWNODAHJ-LJQANCHMSA-N 2 0 329.532 3.456 20 0 EGADRP CCOC(=O)[C@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986985 1384705218 /nfs/dbraw/zinc/70/52/18/1384705218.db2.gz OCBXUXMPUBCQHV-RBUKOAKNSA-N 2 0 344.499 3.315 20 0 EGADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989240 1384705348 /nfs/dbraw/zinc/70/53/48/1384705348.db2.gz BEBHWMXGXRAHPJ-AABGKKOBSA-N 2 0 327.516 3.208 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001316935667 1384707265 /nfs/dbraw/zinc/70/72/65/1384707265.db2.gz NYNYKEFJLYNIAD-FQEVSTJZSA-N 2 0 345.531 3.066 20 0 EGADRP c1nocc1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172070189 1384717964 /nfs/dbraw/zinc/71/79/64/1384717964.db2.gz MWCKQSJTTWWQLP-ACDBMABISA-N 2 0 325.456 3.392 20 0 EGADRP CCN(CC[NH+](C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076573 1384720045 /nfs/dbraw/zinc/72/00/45/1384720045.db2.gz GBEKURMUIKDBSF-AERCQKQUSA-N 2 0 329.532 3.456 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103603 1384726667 /nfs/dbraw/zinc/72/66/67/1384726667.db2.gz WFUHTWDTNKGTQY-MXEMCNAFSA-N 2 0 327.516 3.256 20 0 EGADRP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115443 1384730814 /nfs/dbraw/zinc/73/08/14/1384730814.db2.gz XQSVIGKIQAEDSM-MHTWAQMVSA-N 2 0 327.516 3.208 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccccc3F)CC1)C2 ZINC001172112975 1384731273 /nfs/dbraw/zinc/73/12/73/1384731273.db2.gz DEAMKTDSZPXCIQ-FVQHAEBGSA-N 2 0 331.479 3.091 20 0 EGADRP CCOC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]2CCCC[C@@H]12 ZINC001172122074 1384734448 /nfs/dbraw/zinc/73/44/48/1384734448.db2.gz WOBCALBYEUAMKI-JWLCQNFESA-N 2 0 348.531 3.303 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172127119 1384735625 /nfs/dbraw/zinc/73/56/25/1384735625.db2.gz GXQSPBNAIFUHPK-VNXMGFANSA-N 2 0 339.527 3.208 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(c4ccccc4)C[C@@H]3C1)C2 ZINC001172133253 1384737116 /nfs/dbraw/zinc/73/71/16/1384737116.db2.gz QLJJZUJGSPXOTQ-LPOYBJAFSA-N 2 0 325.500 3.070 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172227251 1384752369 /nfs/dbraw/zinc/75/23/69/1384752369.db2.gz SCBAFLNFYXSELN-OBKBHFTKSA-N 2 0 326.484 3.150 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001172320323 1384769876 /nfs/dbraw/zinc/76/98/76/1384769876.db2.gz WYKIZZQSRMAKAJ-QZTJIDSGSA-N 2 0 333.520 3.122 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172339423 1384774040 /nfs/dbraw/zinc/77/40/40/1384774040.db2.gz ULNMXLIXALRZBQ-QZTJIDSGSA-N 2 0 333.520 3.477 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]([NH2+]CC2CCCCCC2)C2CC2)CC1 ZINC001317027102 1384794162 /nfs/dbraw/zinc/79/41/62/1384794162.db2.gz JCGLNKRANRICDV-HXUWFJFHSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)COCC[C@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172466832 1384798924 /nfs/dbraw/zinc/79/89/24/1384798924.db2.gz GJARUYOUZKPMAF-SFHVURJKSA-N 2 0 333.520 3.334 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172555234 1384811009 /nfs/dbraw/zinc/81/10/09/1384811009.db2.gz CLAGATGPXPKUIS-QZTJIDSGSA-N 2 0 330.472 3.069 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172602113 1384817021 /nfs/dbraw/zinc/81/70/21/1384817021.db2.gz GNPDGGBYGJUORU-VJANTYMQSA-N 2 0 336.520 3.480 20 0 EGADRP CCCC[C@@H]1C[C@H]([NH2+]CCCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172639769 1384825407 /nfs/dbraw/zinc/82/54/07/1384825407.db2.gz MZGGMYNEFGTOCP-HZPDHXFCSA-N 2 0 327.513 3.273 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172944583 1384885647 /nfs/dbraw/zinc/88/56/47/1384885647.db2.gz WFEJCDGRGIMFOL-OAHLLOKOSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](CCO)c2cccc(OC)c2)CC1 ZINC001173101324 1384915121 /nfs/dbraw/zinc/91/51/21/1384915121.db2.gz GFXDBRMEKCUHHX-AFMYVXGZSA-N 2 0 334.504 3.361 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccnc(OC3CCC3)n2)CC1 ZINC001173105704 1384915461 /nfs/dbraw/zinc/91/54/61/1384915461.db2.gz BFJJTHVTJBTURQ-UHFFFAOYSA-N 2 0 332.492 3.151 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@H]2COc3ccc(OC)cc3C2)CC1 ZINC001173106271 1384915495 /nfs/dbraw/zinc/91/54/95/1384915495.db2.gz LBLZGYMHOJGNSZ-IVMQYODDSA-N 2 0 346.515 3.489 20 0 EGADRP CCCOC1CCC(N(c2cc(OC)cc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173103081 1384915554 /nfs/dbraw/zinc/91/55/54/1384915554.db2.gz XCTXLYWKPLCJBQ-UHFFFAOYSA-N 2 0 347.503 3.386 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3ncccc3OC)C2)CC1 ZINC001173113860 1384917504 /nfs/dbraw/zinc/91/75/04/1384917504.db2.gz NFYYCNXTGAFKSW-DAWZGUTISA-N 2 0 347.503 3.196 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)CC1 ZINC001173114070 1384917793 /nfs/dbraw/zinc/91/77/93/1384917793.db2.gz UYQUKWWZIFFYCJ-ACBHZAAOSA-N 2 0 346.519 3.281 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)CC1 ZINC001173113055 1384917922 /nfs/dbraw/zinc/91/79/22/1384917922.db2.gz GLTSHZSZTUYLJX-CTWPCTMYSA-N 2 0 346.519 3.281 20 0 EGADRP CCc1noc(C2CC[NH+](C3CCC([NH+](CC)CC)CC3)CC2)n1 ZINC001173113023 1384918020 /nfs/dbraw/zinc/91/80/20/1384918020.db2.gz GTYACFJYQJLVMK-UHFFFAOYSA-N 2 0 334.508 3.464 20 0 EGADRP COCCC[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173196458 1384933961 /nfs/dbraw/zinc/93/39/61/1384933961.db2.gz PFYTZKMGRZVZFG-UHFFFAOYSA-N 2 0 346.515 3.467 20 0 EGADRP [NH3+]CCCOCCOCCC[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173350388 1384963702 /nfs/dbraw/zinc/96/37/02/1384963702.db2.gz WLLPXNCDZZQLPF-GOSISDBHSA-N 2 0 326.525 3.241 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001173366914 1384965767 /nfs/dbraw/zinc/96/57/67/1384965767.db2.gz BYSZOPJWWAXEKS-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001173366915 1384965857 /nfs/dbraw/zinc/96/58/57/1384965857.db2.gz BYSZOPJWWAXEKS-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1c[nH+]ccc1N(C1Cc2cc(F)c(F)cc2C1)C1CC[NH2+]CC1 ZINC001173481637 1384978723 /nfs/dbraw/zinc/97/87/23/1384978723.db2.gz PBULGJDLHCCWIY-UHFFFAOYSA-N 2 0 343.421 3.394 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]CC1CC[NH+](C3CCC3)CC1)CC2 ZINC001173605843 1384986394 /nfs/dbraw/zinc/98/63/94/1384986394.db2.gz HINUTOZPCKXNGJ-MOMVYJMYSA-N 2 0 348.531 3.353 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001317219839 1385000218 /nfs/dbraw/zinc/00/02/18/1385000218.db2.gz BDEPPROLODLFOX-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H]1CC([NH2+]CCCC[NH+](C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173672558 1385000911 /nfs/dbraw/zinc/00/09/11/1385000911.db2.gz PEBSMTMQJSOWSK-HUUCEWRRSA-N 2 0 327.513 3.094 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])cc1 ZINC001173720239 1385009234 /nfs/dbraw/zinc/00/92/34/1385009234.db2.gz JWTSXNMZYKIXIN-JKSUJKDBSA-N 2 0 334.504 3.395 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC001173723511 1385010123 /nfs/dbraw/zinc/01/01/23/1385010123.db2.gz IIGBTMXFCNHOMQ-GJYPPUQNSA-N 2 0 332.488 3.113 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001317361565 1385104519 /nfs/dbraw/zinc/10/45/19/1385104519.db2.gz VJQWTQJOFPNTAQ-UXHICEINSA-N 2 0 345.531 3.244 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1ccc(Nc2cc[nH+]cc2C)cc1 ZINC001174540076 1385117795 /nfs/dbraw/zinc/11/77/95/1385117795.db2.gz UBTXMFROACHKOX-UHFFFAOYSA-N 2 0 327.428 3.054 20 0 EGADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001317416389 1385126126 /nfs/dbraw/zinc/12/61/26/1385126126.db2.gz VCKGQEXHMGCHRS-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649111 1385129917 /nfs/dbraw/zinc/12/99/17/1385129917.db2.gz AETODEDGMBUABC-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174961109 1385174834 /nfs/dbraw/zinc/17/48/34/1385174834.db2.gz JXLYQPZFKFXOIK-IBGZPJMESA-N 2 0 347.547 3.226 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1)[NH+](C)C ZINC001175106663 1385195544 /nfs/dbraw/zinc/19/55/44/1385195544.db2.gz HLBMANVOJFJBJJ-SJLPKXTDSA-N 2 0 325.541 3.027 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256952 1385231274 /nfs/dbraw/zinc/23/12/74/1385231274.db2.gz RCPUXKRQMDLXGT-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262111 1385232373 /nfs/dbraw/zinc/23/23/73/1385232373.db2.gz AZJDRKHCHNNWNI-MOPGFXCFSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263729 1385234166 /nfs/dbraw/zinc/23/41/66/1385234166.db2.gz QUSQMLLKNVCKNY-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271820 1385237382 /nfs/dbraw/zinc/23/73/82/1385237382.db2.gz FDWFYVDGSVUSPL-KRWDZBQOSA-N 2 0 343.531 3.123 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](CC)c1ccccc1 ZINC001317542614 1385283703 /nfs/dbraw/zinc/28/37/03/1385283703.db2.gz FMEZRZNXYPGVAX-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1F ZINC001317544687 1385289935 /nfs/dbraw/zinc/28/99/35/1385289935.db2.gz AQLYJSUNPQPXOC-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001175571443 1385334837 /nfs/dbraw/zinc/33/48/37/1385334837.db2.gz BJSMUUWVXIHLLZ-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581208 1385338559 /nfs/dbraw/zinc/33/85/59/1385338559.db2.gz IZMAIKHIKOXBTA-OOFWQKGWSA-N 2 0 337.552 3.339 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)C(C)C ZINC001175747872 1385394676 /nfs/dbraw/zinc/39/46/76/1385394676.db2.gz VJAWENSWUBNVJJ-ROUUACIJSA-N 2 0 327.557 3.273 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175768761 1385400032 /nfs/dbraw/zinc/40/00/32/1385400032.db2.gz NITASHWGJQUMGK-QZEKMECESA-N 2 0 325.541 3.339 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001175787272 1385405606 /nfs/dbraw/zinc/40/56/06/1385405606.db2.gz TVNBVFWNBPKJIU-MSOLQXFVSA-N 2 0 327.557 3.275 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001175787618 1385406141 /nfs/dbraw/zinc/40/61/41/1385406141.db2.gz WBYZVKJJQDFDNV-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)CC1 ZINC001175967518 1385447589 /nfs/dbraw/zinc/44/75/89/1385447589.db2.gz KGIAPBDFOLAQTQ-CXSQMQJXSA-N 2 0 343.943 3.124 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176110710 1385486381 /nfs/dbraw/zinc/48/63/81/1385486381.db2.gz BZPMBHAHZJOJOP-GOSISDBHSA-N 2 0 349.563 3.339 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176111092 1385487080 /nfs/dbraw/zinc/48/70/80/1385487080.db2.gz FWGJCXDKQHERRE-XLIONFOSSA-N 2 0 333.520 3.136 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001176112320 1385487684 /nfs/dbraw/zinc/48/76/84/1385487684.db2.gz POEAKPSNMYVPAH-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC001176119002 1385488613 /nfs/dbraw/zinc/48/86/13/1385488613.db2.gz WLFBYLBRVUTWPV-QGZVFWFLSA-N 2 0 339.483 3.093 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC001176117936 1385488732 /nfs/dbraw/zinc/48/87/32/1385488732.db2.gz FXMIBKSJARNTGX-QGZVFWFLSA-N 2 0 339.483 3.093 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176167434 1385501179 /nfs/dbraw/zinc/50/11/79/1385501179.db2.gz ZLIDVJZBWQTWSC-AZUAARDMSA-N 2 0 349.563 3.483 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176283973 1385538531 /nfs/dbraw/zinc/53/85/31/1385538531.db2.gz CBXRBOUMZUDIOR-QZTJIDSGSA-N 2 0 327.557 3.275 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001176285741 1385538856 /nfs/dbraw/zinc/53/88/56/1385538856.db2.gz QIEGTSKIVICZEW-GIFJBRJJSA-N 2 0 325.541 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176283975 1385538919 /nfs/dbraw/zinc/53/89/19/1385538919.db2.gz CBXRBOUMZUDIOR-ZWKOTPCHSA-N 2 0 327.557 3.275 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176285200 1385538924 /nfs/dbraw/zinc/53/89/24/1385538924.db2.gz NFIJYOHXNYEJCB-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc3cc(O)ccc3c2)CC1 ZINC001176387824 1385573102 /nfs/dbraw/zinc/57/31/02/1385573102.db2.gz XJXYBKNTRJKSQR-UHFFFAOYSA-N 2 0 334.423 3.436 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001176591916 1385634767 /nfs/dbraw/zinc/63/47/67/1385634767.db2.gz SQXKGXIIBLATSH-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001176628668 1385643372 /nfs/dbraw/zinc/64/33/72/1385643372.db2.gz NFWFABGIYXHEJS-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753362 1385683842 /nfs/dbraw/zinc/68/38/42/1385683842.db2.gz GTWCYTFFTLEXHY-RBUKOAKNSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176759880 1385686658 /nfs/dbraw/zinc/68/66/58/1385686658.db2.gz NPYCXBJJVQYGQE-AZUAARDMSA-N 2 0 345.531 3.326 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CCC)CC1 ZINC001318462100 1385706878 /nfs/dbraw/zinc/70/68/78/1385706878.db2.gz PYHMLVYQKAHKRE-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176948218 1385752058 /nfs/dbraw/zinc/75/20/58/1385752058.db2.gz KWKLSRPXPNMDMY-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177266436 1385889661 /nfs/dbraw/zinc/88/96/61/1385889661.db2.gz HMVNOALJXLHYCT-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177330612 1385916682 /nfs/dbraw/zinc/91/66/82/1385916682.db2.gz DYXWDGIBIIUEGP-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001177348178 1385923120 /nfs/dbraw/zinc/92/31/20/1385923120.db2.gz BEQYRNMEZNVNJJ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)[NH+](C)C ZINC001177349128 1385924341 /nfs/dbraw/zinc/92/43/41/1385924341.db2.gz YXVSQRSPCMFJLE-IEBWSBKVSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177352569 1385925253 /nfs/dbraw/zinc/92/52/53/1385925253.db2.gz BKQRSNOANXYJBP-UHFFFAOYSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001177440676 1385958212 /nfs/dbraw/zinc/95/82/12/1385958212.db2.gz PKKSSBQKMQLYHY-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)C1 ZINC001177466940 1385967424 /nfs/dbraw/zinc/96/74/24/1385967424.db2.gz LTWOTLCPOGGVBH-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177469125 1385968934 /nfs/dbraw/zinc/96/89/34/1385968934.db2.gz WIVGLFYJYPVSRR-POHAHGRESA-N 2 0 343.943 3.079 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001177488478 1385975576 /nfs/dbraw/zinc/97/55/76/1385975576.db2.gz FWVZNYYKVALUJM-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001319228601 1386015267 /nfs/dbraw/zinc/01/52/67/1386015267.db2.gz IZSHTEOTCVNZKD-IEBWSBKVSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1)c1ccccc1F ZINC001319372807 1386086842 /nfs/dbraw/zinc/08/68/42/1386086842.db2.gz QYZKWNRCMDZALR-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001178045763 1386115659 /nfs/dbraw/zinc/11/56/59/1386115659.db2.gz UUSJURCCXRNKPU-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C1CC1)[NH+](C)C ZINC001319563782 1386182644 /nfs/dbraw/zinc/18/26/44/1386182644.db2.gz XBOPCYWTSBVNPZ-JXFKEZNVSA-N 2 0 345.531 3.087 20 0 EGADRP CSc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001178464442 1386225581 /nfs/dbraw/zinc/22/55/81/1386225581.db2.gz ZAEMLDMEHIHDGW-IBGZPJMESA-N 2 0 342.508 3.265 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483584 1386231162 /nfs/dbraw/zinc/23/11/62/1386231162.db2.gz FMELDVWFWLPEQP-OALUTQOASA-N 2 0 335.536 3.093 20 0 EGADRP CC1CC(C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C2CCCCC2)C1 ZINC001319655111 1386235911 /nfs/dbraw/zinc/23/59/11/1386235911.db2.gz IZZCNTUQSHMKRN-LBXVMSDZSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178687996 1386278149 /nfs/dbraw/zinc/27/81/49/1386278149.db2.gz BJNHKOMKTLAMHW-OALUTQOASA-N 2 0 339.568 3.277 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178692805 1386278607 /nfs/dbraw/zinc/27/86/07/1386278607.db2.gz BPNFJOHVVXLKLB-VMSUTVGLSA-N 2 0 343.943 3.268 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178811696 1386314084 /nfs/dbraw/zinc/31/40/84/1386314084.db2.gz ZBXOXOCQRDDLLR-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001319828141 1386321502 /nfs/dbraw/zinc/32/15/02/1386321502.db2.gz UBOHRDHUUJCFQB-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178894906 1386341374 /nfs/dbraw/zinc/34/13/74/1386341374.db2.gz NRODYJRDQKYDLS-UHFFFAOYSA-N 2 0 348.535 3.364 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H]1C)[NH+](C)C ZINC001178990181 1386369772 /nfs/dbraw/zinc/36/97/72/1386369772.db2.gz LUEAYSVCPSSBDI-QRWZLEHMSA-N 2 0 343.515 3.009 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H]1C)[NH+](C)C ZINC001178990180 1386369781 /nfs/dbraw/zinc/36/97/81/1386369781.db2.gz LUEAYSVCPSSBDI-CYDFWZRQSA-N 2 0 343.515 3.009 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234795 1386428621 /nfs/dbraw/zinc/42/86/21/1386428621.db2.gz ZVTLDYUAXCHZGT-MRQYFZACSA-N 2 0 347.547 3.186 20 0 EGADRP CCC(CC)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001320009625 1386451167 /nfs/dbraw/zinc/45/11/67/1386451167.db2.gz VNNWHVCDYZMUFC-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179375454 1386467050 /nfs/dbraw/zinc/46/70/50/1386467050.db2.gz QJGXFQGHQAKTKT-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001179498679 1386499238 /nfs/dbraw/zinc/49/92/38/1386499238.db2.gz CUKGZHPHVRHSIF-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C)[NH+](CC)CC ZINC001179516547 1386503934 /nfs/dbraw/zinc/50/39/34/1386503934.db2.gz DFDKFFUMFLVIQF-WDSOQIARSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCC2=CCCCC2)C1 ZINC001179585719 1386524522 /nfs/dbraw/zinc/52/45/22/1386524522.db2.gz JSLZIYVXDRYJER-IBGZPJMESA-N 2 0 349.563 3.485 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179587323 1386524536 /nfs/dbraw/zinc/52/45/36/1386524536.db2.gz YLNQNHAYZGDYJH-SFFCAUCYSA-N 2 0 337.552 3.341 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2CCCCC2)C1 ZINC001179586142 1386524585 /nfs/dbraw/zinc/52/45/85/1386524585.db2.gz MZWCVMCOCYCKJL-GOSISDBHSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C)[NH+](C)C ZINC001179609079 1386530110 /nfs/dbraw/zinc/53/01/10/1386530110.db2.gz FTQNXBIYOPJWIV-MSOLQXFVSA-N 2 0 327.557 3.275 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1)[NH+](C)C ZINC001179609487 1386531372 /nfs/dbraw/zinc/53/13/72/1386531372.db2.gz RPXPKZTXKXIEMJ-HOTGVXAUSA-N 2 0 347.494 3.028 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC001320241896 1386562448 /nfs/dbraw/zinc/56/24/48/1386562448.db2.gz GRCCXIYWBYPHEV-NHCUHLMSSA-N 2 0 329.532 3.156 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001179745545 1386570339 /nfs/dbraw/zinc/57/03/39/1386570339.db2.gz ADGFUZARYKEIQY-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788308 1386586497 /nfs/dbraw/zinc/58/64/97/1386586497.db2.gz VHGSCWZAQASJFO-RTBURBONSA-N 2 0 335.536 3.236 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179792372 1386587492 /nfs/dbraw/zinc/58/74/92/1386587492.db2.gz IEBGMCPPLFRDLQ-RTBURBONSA-N 2 0 337.552 3.460 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC1)C(C)C ZINC001179842854 1386604114 /nfs/dbraw/zinc/60/41/14/1386604114.db2.gz BHOWUSHEVVYQMB-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001179843035 1386604422 /nfs/dbraw/zinc/60/44/22/1386604422.db2.gz NZMYQWRXNCMYMV-GOSISDBHSA-N 2 0 327.557 3.419 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001179850828 1386607557 /nfs/dbraw/zinc/60/75/57/1386607557.db2.gz NISHGNMQJXIZIR-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180061144 1386683588 /nfs/dbraw/zinc/68/35/88/1386683588.db2.gz YOMNYSKIRVQDMK-GOSISDBHSA-N 2 0 325.541 3.031 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180060498 1386684044 /nfs/dbraw/zinc/68/40/44/1386684044.db2.gz FHOWNWDZQOIENO-ZMBJWTFHSA-N 2 0 337.552 3.341 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C ZINC001180095767 1386696177 /nfs/dbraw/zinc/69/61/77/1386696177.db2.gz PIRZEQOFQGHVSJ-AATRIKPKSA-N 2 0 325.541 3.341 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180095978 1386697146 /nfs/dbraw/zinc/69/71/46/1386697146.db2.gz ZAPGKDMBNNXURA-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001180123873 1386705001 /nfs/dbraw/zinc/70/50/01/1386705001.db2.gz MAIHFPYDHSODGW-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001180204680 1386732153 /nfs/dbraw/zinc/73/21/53/1386732153.db2.gz ZESUBWHGJKSBHL-LPHOPBHVSA-N 2 0 331.504 3.131 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)c1 ZINC001180226810 1386738725 /nfs/dbraw/zinc/73/87/25/1386738725.db2.gz NSKVPNQBBHKXQS-HBFSDRIKSA-N 2 0 345.531 3.284 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@@H]1CCC[N@H+](CC)C1)CCC2 ZINC001320861719 1386740630 /nfs/dbraw/zinc/74/06/30/1386740630.db2.gz FDLSKJCCRQECFL-JKSUJKDBSA-N 2 0 348.487 3.464 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CCCC2CCCC2)C1 ZINC001180259927 1386749139 /nfs/dbraw/zinc/74/91/39/1386749139.db2.gz PHJCWBPMXTXWBU-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180274401 1386752446 /nfs/dbraw/zinc/75/24/46/1386752446.db2.gz BRHAXSYRYNNVDO-UHFFFAOYSA-N 2 0 335.536 3.239 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369616 1386776848 /nfs/dbraw/zinc/77/68/48/1386776848.db2.gz NZTHJNRBBBGDSM-FPLPWBNLSA-N 2 0 325.541 3.339 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001321762289 1386979122 /nfs/dbraw/zinc/97/91/22/1386979122.db2.gz VAYHUDHPMCIPAQ-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001181867339 1387066839 /nfs/dbraw/zinc/06/68/39/1387066839.db2.gz UAWMBQHAMFVMIZ-HXUWFJFHSA-N 2 0 345.531 3.452 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001181884555 1387070752 /nfs/dbraw/zinc/07/07/52/1387070752.db2.gz GGKLNYLDDKFMIM-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001182614728 1387196936 /nfs/dbraw/zinc/19/69/36/1387196936.db2.gz OMSZETFMQWITID-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001329304646 1389055844 /nfs/dbraw/zinc/05/58/44/1389055844.db2.gz ZFMOGTWJJFGDRA-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001329570156 1389160662 /nfs/dbraw/zinc/16/06/62/1389160662.db2.gz CJEGAPPLKSPINQ-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001698721620 1406367523 /nfs/dbraw/zinc/36/75/23/1406367523.db2.gz PLSKCWNUOJZTDY-UUKMXZOPSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](CCO)CC1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC001337268465 1389290212 /nfs/dbraw/zinc/29/02/12/1389290212.db2.gz MVRINPMHBNLSAK-UHFFFAOYSA-N 2 0 345.409 3.020 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001330086299 1389305890 /nfs/dbraw/zinc/30/58/90/1389305890.db2.gz PUFBBSZPPJWXEW-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1nc[nH]c1CC(=O)NCCC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001698727192 1406378040 /nfs/dbraw/zinc/37/80/40/1406378040.db2.gz WERMVUXLLPRBEF-INIZCTEOSA-N 2 0 348.535 3.161 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001338287595 1389619461 /nfs/dbraw/zinc/61/94/61/1389619461.db2.gz FMIZXFOKOLMQPL-SFHVURJKSA-N 2 0 331.504 3.017 20 0 EGADRP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001331562469 1389800252 /nfs/dbraw/zinc/80/02/52/1389800252.db2.gz ZHGGNXGNLJDGCJ-GFBZKKKVSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001331820210 1389879809 /nfs/dbraw/zinc/87/98/09/1389879809.db2.gz GIWKJKQARKKJFO-CQSZACIVSA-N 2 0 342.462 3.307 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC001332084860 1389975194 /nfs/dbraw/zinc/97/51/94/1389975194.db2.gz LGNXLQHYLREGLR-SFHVURJKSA-N 2 0 327.472 3.001 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C)[C@H]1C ZINC001332220448 1390052094 /nfs/dbraw/zinc/05/20/94/1390052094.db2.gz UDEKPFDDGPUVJD-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001332326275 1390087831 /nfs/dbraw/zinc/08/78/31/1390087831.db2.gz ZXSFYODQMOIAET-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001698767640 1406425660 /nfs/dbraw/zinc/42/56/60/1406425660.db2.gz XPECQROCDIRZCV-RBUKOAKNSA-N 2 0 345.531 3.101 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)c2cccc(C[NH3+])c2)c1 ZINC001341564677 1390503328 /nfs/dbraw/zinc/50/33/28/1390503328.db2.gz SZAXVBQFDMZDLV-UHFFFAOYSA-N 2 0 341.455 3.118 20 0 EGADRP C[C@H]1CCCN(Cc2csc(NC(=O)C[C@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629114 1390511910 /nfs/dbraw/zinc/51/19/10/1390511910.db2.gz AYCWKUOYHFXJTC-JSGCOSHPSA-N 2 0 338.521 3.077 20 0 EGADRP c1ccc2c(c1)C[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CC21CCC1 ZINC001334763442 1390584305 /nfs/dbraw/zinc/58/43/05/1390584305.db2.gz RPUNERYTSPMNEK-GOSISDBHSA-N 2 0 326.484 3.083 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c2c(n1)CCCC2 ZINC001335583150 1390705938 /nfs/dbraw/zinc/70/59/38/1390705938.db2.gz PTRWGLAEBJGDFV-JENIJYKNSA-N 2 0 327.516 3.431 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001698800553 1406475115 /nfs/dbraw/zinc/47/51/15/1406475115.db2.gz MAGAHMDNUOIPBP-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CCc1cccc(C[NH2+]C2(CNC(=O)[C@H](CC)[NH+](C)C)CCCC2)c1 ZINC001698806483 1406488135 /nfs/dbraw/zinc/48/81/35/1406488135.db2.gz ONRKMGBIXWLJGG-IBGZPJMESA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CCCC1 ZINC001698807932 1406491686 /nfs/dbraw/zinc/49/16/86/1406491686.db2.gz XNSWAFCGASTFQR-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP [NH3+]C[C@@H](C(=O)N1CCC(Nc2ccccn2)CC1)C1CCCCCC1 ZINC001354684181 1392160980 /nfs/dbraw/zinc/16/09/80/1392160980.db2.gz WQCUDOCSHNTZPS-GOSISDBHSA-N 2 0 344.503 3.030 20 0 EGADRP Cc1c(C(=O)NC[C@H](C)[NH2+]CC2CCCCCC2)ccc2c[nH+]cn21 ZINC001480493325 1392769320 /nfs/dbraw/zinc/76/93/20/1392769320.db2.gz UPKZLTQPYGNPNP-HNNXBMFYSA-N 2 0 342.487 3.321 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001480709980 1392871896 /nfs/dbraw/zinc/87/18/96/1392871896.db2.gz UGOPXRFUDHPZJP-RBUKOAKNSA-N 2 0 349.494 3.015 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001480771196 1392923819 /nfs/dbraw/zinc/92/38/19/1392923819.db2.gz GLFYNSMVNIVRCF-QUCCMNQESA-N 2 0 347.547 3.182 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)cc(C)c1 ZINC001480979460 1393063887 /nfs/dbraw/zinc/06/38/87/1393063887.db2.gz JRHMJGMBDGFWFQ-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1)c1ccccc1F ZINC001481317826 1393163003 /nfs/dbraw/zinc/16/30/03/1393163003.db2.gz RFDMVFCYTLFUPE-KRWDZBQOSA-N 2 0 349.494 3.201 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCCC1 ZINC001481385910 1394224233 /nfs/dbraw/zinc/22/42/33/1394224233.db2.gz LYGLAIQHSQLONY-BGYRXZFFSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](C/C=C/c2ccccc2)C1 ZINC001490456347 1394234152 /nfs/dbraw/zinc/23/41/52/1394234152.db2.gz AKTILVDHKIAFNM-OEMHODTASA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001481539309 1394401221 /nfs/dbraw/zinc/40/12/21/1394401221.db2.gz XAFXEBAOZQIGAQ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481695451 1394456192 /nfs/dbraw/zinc/45/61/92/1394456192.db2.gz KAUUHSSECMTORE-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001481708356 1394467058 /nfs/dbraw/zinc/46/70/58/1394467058.db2.gz FAIVUUOJDVJTOR-LJQANCHMSA-N 2 0 345.531 3.016 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1)C1CCC1 ZINC001491210303 1394473009 /nfs/dbraw/zinc/47/30/09/1394473009.db2.gz PFYCFZCKBMSAEV-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001698960389 1406713323 /nfs/dbraw/zinc/71/33/23/1406713323.db2.gz IAVZOGLJEJBGBB-DNVCBOLYSA-N 2 0 349.494 3.101 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001482064652 1394725133 /nfs/dbraw/zinc/72/51/33/1394725133.db2.gz FSHOHIKWGVSFQZ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482283267 1394865094 /nfs/dbraw/zinc/86/50/94/1394865094.db2.gz DQGHVVGBPSTPKE-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482366478 1394928454 /nfs/dbraw/zinc/92/84/54/1394928454.db2.gz AMOKVGZTTQODII-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001482475313 1395029458 /nfs/dbraw/zinc/02/94/58/1395029458.db2.gz IIADQMGQGXVFLD-FXAWDEMLSA-N 2 0 345.531 3.031 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001698972998 1406738546 /nfs/dbraw/zinc/73/85/46/1406738546.db2.gz POZXEWAQOKXNMZ-YLJYHZDGSA-N 2 0 345.531 3.128 20 0 EGADRP CC[C@H](C(=O)NC1(C)CC[NH+](Cc2cc(C)ccc2C)CC1)[NH+](C)C ZINC001483974190 1395170461 /nfs/dbraw/zinc/17/04/61/1395170461.db2.gz UZRCWKHDMYAFQZ-LJQANCHMSA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@H+](CC3CCCC3)C2)CCCCC1 ZINC001484054764 1395217367 /nfs/dbraw/zinc/21/73/67/1395217367.db2.gz ODXMWAAKTOHQMC-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccccc2F)C1 ZINC001484549375 1395430874 /nfs/dbraw/zinc/43/08/74/1395430874.db2.gz JXXMZBPVWOLYFP-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001484765817 1395519335 /nfs/dbraw/zinc/51/93/35/1395519335.db2.gz SVWKDENUQANJGT-IEBWSBKVSA-N 2 0 333.520 3.177 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001484983685 1395625561 /nfs/dbraw/zinc/62/55/61/1395625561.db2.gz XBSXMQOEBNJBAL-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001698996868 1406796783 /nfs/dbraw/zinc/79/67/83/1406796783.db2.gz FZNYWEWPODYBGZ-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001485961933 1396174326 /nfs/dbraw/zinc/17/43/26/1396174326.db2.gz VEXLEENZRGMIGT-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001486211957 1396183234 /nfs/dbraw/zinc/18/32/34/1396183234.db2.gz YZKGZPYRLFIPOG-OALUTQOASA-N 2 0 345.531 3.020 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001503645537 1396261348 /nfs/dbraw/zinc/26/13/48/1396261348.db2.gz DFBLPLCMNMAINA-FXAWDEMLSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)C[C@H](C[NH2+]CC1CCC1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001496298504 1396639484 /nfs/dbraw/zinc/63/94/84/1396639484.db2.gz XZLMCAHUHAYRMY-LJQANCHMSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001496791848 1396728168 /nfs/dbraw/zinc/72/81/68/1396728168.db2.gz AVROZBAKDVGVMI-GOSISDBHSA-N 2 0 345.531 3.178 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001689902851 1404196630 /nfs/dbraw/zinc/19/66/30/1404196630.db2.gz NTYMTGSITDTKKS-QFBILLFUSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001690428963 1404554965 /nfs/dbraw/zinc/55/49/65/1404554965.db2.gz HEWOVDULHTXFPW-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CCc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001690455158 1404583487 /nfs/dbraw/zinc/58/34/87/1404583487.db2.gz QNKRXFFVZUPPBS-PMACEKPBSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001690732761 1404701663 /nfs/dbraw/zinc/70/16/63/1404701663.db2.gz PEBDDDMUFMWRFF-VQIMIIECSA-N 2 0 349.494 3.057 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001690742804 1404704407 /nfs/dbraw/zinc/70/44/07/1404704407.db2.gz AQXKZEVPYUKOKU-IBGZPJMESA-N 2 0 345.531 3.236 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001725176231 1425692693 /nfs/dbraw/zinc/69/26/93/1425692693.db2.gz YDCCUSJRTURVDM-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC001725179465 1425701864 /nfs/dbraw/zinc/70/18/64/1425701864.db2.gz QYECMYNSOAEFHZ-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1F ZINC001691021458 1404934652 /nfs/dbraw/zinc/93/46/52/1404934652.db2.gz AWGLUOVAWWJWGP-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083310 1405016949 /nfs/dbraw/zinc/01/69/49/1405016949.db2.gz TUAQIUHTOKQAHB-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083311 1405017472 /nfs/dbraw/zinc/01/74/72/1405017472.db2.gz TUAQIUHTOKQAHB-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001691102886 1405042601 /nfs/dbraw/zinc/04/26/01/1405042601.db2.gz QTFXDGDPPZFVEP-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001691117378 1405058963 /nfs/dbraw/zinc/05/89/63/1405058963.db2.gz RKZHRVROKWFDFN-RLLQIKCJSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@H](C)c1ccccc1)C1CC1 ZINC001691211499 1405151309 /nfs/dbraw/zinc/15/13/09/1405151309.db2.gz UCWSEOYDDZBTCO-XLIONFOSSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001691678548 1405412576 /nfs/dbraw/zinc/41/25/76/1405412576.db2.gz NQARZGKRHGVNCY-ZWKOTPCHSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001691686191 1405421108 /nfs/dbraw/zinc/42/11/08/1405421108.db2.gz HGVRKLLVNSHLQG-QZTJIDSGSA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+]1CCC2(C[C@H](C)N(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001691690474 1405425051 /nfs/dbraw/zinc/42/50/51/1405425051.db2.gz RYMBHOJKUADWRU-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001691889286 1405612647 /nfs/dbraw/zinc/61/26/47/1405612647.db2.gz ZKGHHQHAIIKPNC-MRXNPFEDSA-N 2 0 349.544 3.052 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731630243 1427681839 /nfs/dbraw/zinc/68/18/39/1427681839.db2.gz WJACAZHUJNXWNF-WWDZGPRUSA-N 2 0 339.568 3.275 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH+](C)CC2CCCCC2)CC1 ZINC001692026365 1405743879 /nfs/dbraw/zinc/74/38/79/1405743879.db2.gz IVKIHGHTWCNADA-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001698563898 1406164478 /nfs/dbraw/zinc/16/44/78/1406164478.db2.gz RKAUGYDOHYVBJO-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(CC)cc2)C1 ZINC001698572310 1406177332 /nfs/dbraw/zinc/17/73/32/1406177332.db2.gz DZVFODNPVZQPHY-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001698588634 1406208497 /nfs/dbraw/zinc/20/84/97/1406208497.db2.gz RPVRHUDADQRRIY-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001732291431 1428516721 /nfs/dbraw/zinc/51/67/21/1428516721.db2.gz FFVADIBQNMYQOV-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699403688 1412715917 /nfs/dbraw/zinc/71/59/17/1412715917.db2.gz IJLALFDFYNWDFN-INIZCTEOSA-N 2 0 349.494 3.015 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473952 1412862038 /nfs/dbraw/zinc/86/20/38/1412862038.db2.gz GHJGKZJZRSJRQR-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001732538572 1428687388 /nfs/dbraw/zinc/68/73/88/1428687388.db2.gz AXEVKSOJZBQLRO-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827177 1413254438 /nfs/dbraw/zinc/25/44/38/1413254438.db2.gz VNIUSTOCSHBBRS-NQIIRXRSSA-N 2 0 343.515 3.204 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699957912 1413400488 /nfs/dbraw/zinc/40/04/88/1413400488.db2.gz VCZAIXZZLLQVOM-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001699978257 1413422734 /nfs/dbraw/zinc/42/27/34/1413422734.db2.gz WROJEEARWPMLOG-ACDBMABISA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CCC)C1 ZINC001700199110 1413641000 /nfs/dbraw/zinc/64/10/00/1413641000.db2.gz SYZHEWUKGUMODF-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293906 1413751243 /nfs/dbraw/zinc/75/12/43/1413751243.db2.gz KRAWJUZLWOBXQX-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC(C)(C)C ZINC001700318993 1413782672 /nfs/dbraw/zinc/78/26/72/1413782672.db2.gz XVOBRLBVWNKASL-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001700477654 1414107950 /nfs/dbraw/zinc/10/79/50/1414107950.db2.gz SEMKCSSPDXXIQY-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP CN(CC[N@H+](C)CCC1CCCCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001732585423 1428798557 /nfs/dbraw/zinc/79/85/57/1428798557.db2.gz MXWKRXZRAVFXHM-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2C)CC1 ZINC001700696810 1414355064 /nfs/dbraw/zinc/35/50/64/1414355064.db2.gz PKUKQGOUBBJLRZ-SFHVURJKSA-N 2 0 345.531 3.321 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1C ZINC001733018526 1429137347 /nfs/dbraw/zinc/13/73/47/1429137347.db2.gz QERPLYHJAWTAGG-SFHVURJKSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001733043007 1429172795 /nfs/dbraw/zinc/17/27/95/1429172795.db2.gz BRRJYQJSEMKSLP-AEFFLSMTSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707440340 1417344133 /nfs/dbraw/zinc/34/41/33/1417344133.db2.gz KYVYTSCLLJZWIT-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP CCc1ccccc1C[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001713257115 1417859436 /nfs/dbraw/zinc/85/94/36/1417859436.db2.gz VKIGYTDTYZAXRI-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713276521 1417896989 /nfs/dbraw/zinc/89/69/89/1417896989.db2.gz WTJXCRCISHUDOE-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001713399963 1418020256 /nfs/dbraw/zinc/02/02/56/1418020256.db2.gz WVGOFPDNJISYGE-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001713474014 1418150120 /nfs/dbraw/zinc/15/01/20/1418150120.db2.gz DPJUIARDHHUZNR-KRWDZBQOSA-N 2 0 341.499 3.291 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCCC2)CC1 ZINC001713516247 1418252093 /nfs/dbraw/zinc/25/20/93/1418252093.db2.gz JXUKPRLVNHSKOI-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001713520331 1418261822 /nfs/dbraw/zinc/26/18/22/1418261822.db2.gz SHVZDZGHKYWGDW-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001713541787 1418303820 /nfs/dbraw/zinc/30/38/20/1418303820.db2.gz NUNRJPIMHIPBGB-RBUKOAKNSA-N 2 0 343.515 3.062 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC1CCCCC1 ZINC001713551459 1418334083 /nfs/dbraw/zinc/33/40/83/1418334083.db2.gz ODIDFPUXPGVDTB-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001713566149 1418377478 /nfs/dbraw/zinc/37/74/78/1418377478.db2.gz OFWIHUIQOYXLIG-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH2+][C@H](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001713680220 1418432253 /nfs/dbraw/zinc/43/22/53/1418432253.db2.gz YNNGPGPCCBASQY-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)CCC1 ZINC001713869181 1418665783 /nfs/dbraw/zinc/66/57/83/1418665783.db2.gz XXSZMEZJRPKEST-GOSISDBHSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713926134 1418718403 /nfs/dbraw/zinc/71/84/03/1418718403.db2.gz YGUDRHSZQFCYFI-GOSISDBHSA-N 2 0 343.515 3.062 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1c(C)cccc1C ZINC001714116663 1418919798 /nfs/dbraw/zinc/91/97/98/1418919798.db2.gz UYANJIRKWZSBPZ-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C)cc1C ZINC001714117260 1418920138 /nfs/dbraw/zinc/92/01/38/1418920138.db2.gz UGYFBHGMGLXXLN-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C ZINC001714117567 1418920909 /nfs/dbraw/zinc/92/09/09/1418920909.db2.gz ZDFCWTAQCUFPEA-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2(C[NH2+]CC3CCCCC3)CCCC2)CC1 ZINC001714146017 1418950492 /nfs/dbraw/zinc/95/04/92/1418950492.db2.gz SOSGTZGUETYTTF-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001714148593 1418954206 /nfs/dbraw/zinc/95/42/06/1418954206.db2.gz PLZLUOFDXKQRST-KRWDZBQOSA-N 2 0 331.504 3.108 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001714318450 1419096986 /nfs/dbraw/zinc/09/69/86/1419096986.db2.gz ZDGSCEXZOZZZAN-PXNSSMCTSA-N 2 0 345.531 3.169 20 0 EGADRP C[N@@H+](C/C=C\c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714541705 1419267235 /nfs/dbraw/zinc/26/72/35/1419267235.db2.gz AUDWPPUBPNGCAH-RAXLEYEMSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001714590380 1419337104 /nfs/dbraw/zinc/33/71/04/1419337104.db2.gz WAHSHPFCLWBNMK-LJQANCHMSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714656664 1419438283 /nfs/dbraw/zinc/43/82/83/1419438283.db2.gz MCLVQMNJXQMNOS-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001714769690 1419500392 /nfs/dbraw/zinc/50/03/92/1419500392.db2.gz FPCXVDPFPYUCKY-YLJYHZDGSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715020853 1419751670 /nfs/dbraw/zinc/75/16/70/1419751670.db2.gz MNNLDULRFAPBNO-IEBWSBKVSA-N 2 0 343.515 3.073 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1 ZINC001715191537 1419923644 /nfs/dbraw/zinc/92/36/44/1419923644.db2.gz SGXWBAWRPBOJLU-VLDZCOSFSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc2ccccc2c1)N(C)C(=O)CCC[NH+](C)C ZINC001715352535 1420053072 /nfs/dbraw/zinc/05/30/72/1420053072.db2.gz GOQHTVNXEYEMLV-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP Cc1c(C(=O)NCC2([NH2+]C[C@H](C)CC(C)C)CC2)ccc2c[nH+]cn21 ZINC001733248257 1429395070 /nfs/dbraw/zinc/39/50/70/1429395070.db2.gz ORYGBDGPICLKFY-OAHLLOKOSA-N 2 0 342.487 3.177 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715521325 1420207435 /nfs/dbraw/zinc/20/74/35/1420207435.db2.gz PCXBTUYGINNDEL-QUCCMNQESA-N 2 0 345.531 3.319 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001715530960 1420221618 /nfs/dbraw/zinc/22/16/18/1420221618.db2.gz OLYDBXSYCQZTSJ-GOSISDBHSA-N 2 0 349.494 3.009 20 0 EGADRP Cc1c(C(=O)NC[C@@H]([NH2+]CC2CC(C)C2)C(C)C)ccc2c[nH+]cn21 ZINC001715596661 1420264049 /nfs/dbraw/zinc/26/40/49/1420264049.db2.gz NTTOJSQALINMGZ-GSQSYGFSSA-N 2 0 342.487 3.033 20 0 EGADRP CC[C@@H]([NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001716220602 1420570527 /nfs/dbraw/zinc/57/05/27/1420570527.db2.gz JBYDSJHZPUVJDA-GOSISDBHSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001716853617 1420985019 /nfs/dbraw/zinc/98/50/19/1420985019.db2.gz FHGGVEQICRLKMC-AZUAARDMSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001716883343 1421007288 /nfs/dbraw/zinc/00/72/88/1421007288.db2.gz QLICBTOJWMLSJC-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001717368451 1421305201 /nfs/dbraw/zinc/30/52/01/1421305201.db2.gz CKBGSKMKWXCEGM-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001717451409 1421381317 /nfs/dbraw/zinc/38/13/17/1421381317.db2.gz SUJBCSQGUKNBKV-MJGOQNOKSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC2CCCC2)CC1 ZINC001717495072 1421435288 /nfs/dbraw/zinc/43/52/88/1421435288.db2.gz RSEWWHDTACICRY-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001717730895 1421597078 /nfs/dbraw/zinc/59/70/78/1421597078.db2.gz FIQHSDRWYGCPBG-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001717827397 1421641220 /nfs/dbraw/zinc/64/12/20/1421641220.db2.gz IAFUJLLDPIGUQI-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001717966362 1421737885 /nfs/dbraw/zinc/73/78/85/1421737885.db2.gz HVXXGUYOYQNTPE-AEFFLSMTSA-N 2 0 339.568 3.131 20 0 EGADRP CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C/c1ccccc1)C(C)(C)C)[NH+](C)C ZINC001717970904 1421742908 /nfs/dbraw/zinc/74/29/08/1421742908.db2.gz DMESPYLDIWLOQW-UPQQSIJHSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCCC2CCCC2)C1 ZINC001733418601 1429623560 /nfs/dbraw/zinc/62/35/60/1429623560.db2.gz XUKWOIFCVBOPFO-OAQYLSRUSA-N 2 0 349.563 3.413 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001722904622 1424231198 /nfs/dbraw/zinc/23/11/98/1424231198.db2.gz KALIFCLOIVQMLX-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001723698147 1424534786 /nfs/dbraw/zinc/53/47/86/1424534786.db2.gz IBEKPFWJPSDCQA-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001723875184 1424594727 /nfs/dbraw/zinc/59/47/27/1424594727.db2.gz LKOSBFBOOYERBG-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001723939648 1424609249 /nfs/dbraw/zinc/60/92/49/1424609249.db2.gz ISVFZDILGQXKER-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC001725004135 1425416931 /nfs/dbraw/zinc/41/69/31/1425416931.db2.gz UOZQRODXLWYEGG-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001725022075 1425437461 /nfs/dbraw/zinc/43/74/61/1425437461.db2.gz BBNMWNSBYSOYSV-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725056202 1425492537 /nfs/dbraw/zinc/49/25/37/1425492537.db2.gz RYPRFXRBMXWFFX-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001725419605 1426067878 /nfs/dbraw/zinc/06/78/78/1426067878.db2.gz GBSYCEOAQHUJMC-QGZVFWFLSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001725464035 1426131171 /nfs/dbraw/zinc/13/11/71/1426131171.db2.gz WVXAGOWXZPEWMK-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001725581763 1426237957 /nfs/dbraw/zinc/23/79/57/1426237957.db2.gz BWAWVOMGNBQACX-OALUTQOASA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)Cc2ccc(C)cc2)C1 ZINC001731417147 1427388710 /nfs/dbraw/zinc/38/87/10/1427388710.db2.gz BOIYHIFAIXFWIO-HXUWFJFHSA-N 2 0 345.531 3.007 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C)cc1C ZINC001731542328 1427552349 /nfs/dbraw/zinc/55/23/49/1427552349.db2.gz GMRBKFZXCJIIIN-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1F ZINC001731639088 1427696764 /nfs/dbraw/zinc/69/67/64/1427696764.db2.gz GONMRTZFXNWLFZ-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001731696493 1427746429 /nfs/dbraw/zinc/74/64/29/1427746429.db2.gz ATZVBCBNIPQYHN-PMACEKPBSA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001731721592 1427791881 /nfs/dbraw/zinc/79/18/81/1427791881.db2.gz VIYCDFGXKAKTSA-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CC1CCCCC1 ZINC001731769137 1427879114 /nfs/dbraw/zinc/87/91/14/1427879114.db2.gz DISKOQKEBQEIDH-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CCNC(=O)CCC[NH+]1CCCCC1)CC1CCCCCC1 ZINC001731794308 1427943267 /nfs/dbraw/zinc/94/32/67/1427943267.db2.gz ARBJUBFSYBYRHK-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1)CC(C)(C)C ZINC001731834045 1428048003 /nfs/dbraw/zinc/04/80/03/1428048003.db2.gz JNXRYRPKVQDTHV-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)C[NH+](C)CC(C)(C)C ZINC001733776959 1430025130 /nfs/dbraw/zinc/02/51/30/1430025130.db2.gz CGUIECGCQLKMME-UHFFFAOYSA-N 2 0 339.568 3.325 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH+](C)CCCC(C)(C)C)CC1 ZINC001734274455 1438008302 /nfs/dbraw/zinc/00/83/02/1438008302.db2.gz MDEXXLFBHSEFPR-UHFFFAOYSA-N 2 0 339.568 3.467 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001734425082 1438091529 /nfs/dbraw/zinc/09/15/29/1438091529.db2.gz PXKSRDRVDKGUKA-IEBWSBKVSA-N 2 0 345.531 3.052 20 0 EGADRP CCc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C)cc1 ZINC001734575200 1438168510 /nfs/dbraw/zinc/16/85/10/1438168510.db2.gz PRJNFHHBQMJXIN-MOPGFXCFSA-N 2 0 347.547 3.210 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001752098490 1440140785 /nfs/dbraw/zinc/14/07/85/1440140785.db2.gz JGQQCQSNJXRNON-RTBURBONSA-N 2 0 345.531 3.144 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001752155417 1440146838 /nfs/dbraw/zinc/14/68/38/1440146838.db2.gz GQZPVMLPLJYNGR-LPHOPBHVSA-N 2 0 349.494 3.025 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001752159337 1440148395 /nfs/dbraw/zinc/14/83/95/1440148395.db2.gz PKRXVCDHCNADIV-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001752423210 1440176140 /nfs/dbraw/zinc/17/61/40/1440176140.db2.gz GULJCJSFQULNMT-OOFWQKGWSA-N 2 0 347.547 3.188 20 0 EGADRP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001752439755 1440180918 /nfs/dbraw/zinc/18/09/18/1440180918.db2.gz NHQOFSDYTOJRTD-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752545688 1440195069 /nfs/dbraw/zinc/19/50/69/1440195069.db2.gz ZKNDAKGCYAGZDQ-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)CC1 ZINC001752697968 1440201359 /nfs/dbraw/zinc/20/13/59/1440201359.db2.gz XPZJIJJXUZLWHY-YQQQUEKLSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001752787133 1440211836 /nfs/dbraw/zinc/21/18/36/1440211836.db2.gz HGDYGALJRIVYRZ-AZUAARDMSA-N 2 0 347.547 3.047 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001752809552 1440216339 /nfs/dbraw/zinc/21/63/39/1440216339.db2.gz GPWDWOFATNJCMU-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752835542 1440227543 /nfs/dbraw/zinc/22/75/43/1440227543.db2.gz GHXMYIQTXNENGE-IRXDYDNUSA-N 2 0 337.552 3.265 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001752851101 1440233602 /nfs/dbraw/zinc/23/36/02/1440233602.db2.gz ZUKACJZIHVWNOJ-SOAGJPPSSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001752943378 1440251152 /nfs/dbraw/zinc/25/11/52/1440251152.db2.gz KOOVTPBFEGURRA-QGZVFWFLSA-N 2 0 342.487 3.275 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001752961020 1440253306 /nfs/dbraw/zinc/25/33/06/1440253306.db2.gz WIXJNDYGZXMVQU-HXUWFJFHSA-N 2 0 349.563 3.271 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001752976711 1440256211 /nfs/dbraw/zinc/25/62/11/1440256211.db2.gz QQSDMYFKYOHNIE-RBUKOAKNSA-N 2 0 335.536 3.236 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001752993113 1440260439 /nfs/dbraw/zinc/26/04/39/1440260439.db2.gz ARIIBEDFYXEFRC-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001753011187 1440266971 /nfs/dbraw/zinc/26/69/71/1440266971.db2.gz QIBFZWBXDWEKBQ-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753030047 1440272666 /nfs/dbraw/zinc/27/26/66/1440272666.db2.gz OBDHEXFCYMPEAD-KRWDZBQOSA-N 2 0 342.487 3.417 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001753033122 1440273546 /nfs/dbraw/zinc/27/35/46/1440273546.db2.gz FISMVQUJZAOFHC-PHWHVTFISA-N 2 0 335.536 3.045 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001753034317 1440274131 /nfs/dbraw/zinc/27/41/31/1440274131.db2.gz FVFOBMVNMYMBTD-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753036776 1440274759 /nfs/dbraw/zinc/27/47/59/1440274759.db2.gz FGRBAYLWEPAKEK-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC2(CC2)CC1 ZINC001753055198 1440281027 /nfs/dbraw/zinc/28/10/27/1440281027.db2.gz KUWIFSQSXACJGT-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCCC2)CC1 ZINC001753113093 1440309911 /nfs/dbraw/zinc/30/99/11/1440309911.db2.gz KOODOXBQIATHIO-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1cccc(F)c1 ZINC001753116797 1440311699 /nfs/dbraw/zinc/31/16/99/1440311699.db2.gz OUJGMCKBWYBYCF-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C)c(C)c1 ZINC001753117128 1440312060 /nfs/dbraw/zinc/31/20/60/1440312060.db2.gz WBTFVCVEWKMTRO-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1CC2(CCC2)C1 ZINC001753148105 1440325873 /nfs/dbraw/zinc/32/58/73/1440325873.db2.gz GAOMFKLLPPDUHX-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001753295125 1440351871 /nfs/dbraw/zinc/35/18/71/1440351871.db2.gz DXAKNARBWKEUDC-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001753322220 1440364160 /nfs/dbraw/zinc/36/41/60/1440364160.db2.gz FSCBXMVRBFUVPU-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001753325776 1440366513 /nfs/dbraw/zinc/36/65/13/1440366513.db2.gz DGGCTFNSHGZLRW-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001753337134 1440372961 /nfs/dbraw/zinc/37/29/61/1440372961.db2.gz HOXGQBNVXHWPOT-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CCC1CCCCCC1)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753359715 1440381974 /nfs/dbraw/zinc/38/19/74/1440381974.db2.gz JNICHYZSDNBJHB-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP C[N@H+](CC(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1)C1CCC1 ZINC001753378774 1440387535 /nfs/dbraw/zinc/38/75/35/1440387535.db2.gz WAFYXTYQZBHERV-UHFFFAOYSA-N 2 0 349.563 3.124 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001753458547 1440409594 /nfs/dbraw/zinc/40/95/94/1440409594.db2.gz ILHWWKUXGQUSGX-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001753462778 1440411629 /nfs/dbraw/zinc/41/16/29/1440411629.db2.gz XHMZEPOCPRHXLY-IBGZPJMESA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1c(C)cccc1C ZINC001753471386 1440414034 /nfs/dbraw/zinc/41/40/34/1440414034.db2.gz LUPQCFXNZICWDN-AZUAARDMSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C\c1ccccc1 ZINC001753484676 1440417485 /nfs/dbraw/zinc/41/74/85/1440417485.db2.gz QHUSMYUVEFWGCE-XVSJEAIRSA-N 2 0 343.515 3.059 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2c(C)cccc2C)CCCC1 ZINC001753510609 1440425847 /nfs/dbraw/zinc/42/58/47/1440425847.db2.gz XDJXZBCPKCRHPK-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@H+](CC(=O)N[C@](C)(C[NH2+]CC1CCCC1)C1CC1)CC(C)(C)C ZINC001753524483 1440429309 /nfs/dbraw/zinc/42/93/09/1440429309.db2.gz FOWFQAKVOVCUED-HXUWFJFHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001753535724 1440432511 /nfs/dbraw/zinc/43/25/11/1440432511.db2.gz LOMUKAMVADQEPL-XLIONFOSSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753559923 1440436680 /nfs/dbraw/zinc/43/66/80/1440436680.db2.gz XRXVDEMINGIPRZ-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001753595427 1440444436 /nfs/dbraw/zinc/44/44/36/1440444436.db2.gz XUMOWMZWCKFTHL-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CCC(C)C)CC1 ZINC001753599508 1440445950 /nfs/dbraw/zinc/44/59/50/1440445950.db2.gz DGFSDFPZWOZQMD-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001753612558 1440449270 /nfs/dbraw/zinc/44/92/70/1440449270.db2.gz HXAYCLFCWIWNPP-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C[NH2+]CC1CC(C)C1 ZINC001753623230 1440450805 /nfs/dbraw/zinc/45/08/05/1440450805.db2.gz XXZUDDUUEHFLCK-AQFXKWCLSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C[NH2+]CC1CCCCC1 ZINC001753632183 1440452348 /nfs/dbraw/zinc/45/23/48/1440452348.db2.gz ITCMXSOSYZAQKL-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001753726075 1440474501 /nfs/dbraw/zinc/47/45/01/1440474501.db2.gz MAHIJFDRVJSDQE-IEBWSBKVSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CCCCC1 ZINC001753749528 1440482157 /nfs/dbraw/zinc/48/21/57/1440482157.db2.gz LRQFDNUCCSYUHS-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753776124 1440486484 /nfs/dbraw/zinc/48/64/84/1440486484.db2.gz AMOVZKOVWWUJFV-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CCC1=CCCCC1 ZINC001753788797 1440488697 /nfs/dbraw/zinc/48/86/97/1440488697.db2.gz RGHDOUKZKUZTFW-HXUWFJFHSA-N 2 0 347.547 3.334 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1 ZINC001753794886 1440489543 /nfs/dbraw/zinc/48/95/43/1440489543.db2.gz CZRBKQMCBBDIAC-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753809826 1440492523 /nfs/dbraw/zinc/49/25/23/1440492523.db2.gz RILLLLOZYHUFOY-CWHLKURSSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@H+](C)CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001753821776 1440496600 /nfs/dbraw/zinc/49/66/00/1440496600.db2.gz QSZRZIUJBHECHP-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)c1 ZINC001753831455 1440499808 /nfs/dbraw/zinc/49/98/08/1440499808.db2.gz UTASQPSYIJTHBO-LJQANCHMSA-N 2 0 345.531 3.018 20 0 EGADRP CN(CC[N@H+](C)Cc1ccccc1)C(=O)c1sccc1C[NH+](C)C ZINC001753854570 1440508376 /nfs/dbraw/zinc/50/83/76/1440508376.db2.gz PAAXFVBLONINEW-UHFFFAOYSA-N 2 0 345.512 3.014 20 0 EGADRP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC001753875914 1440519387 /nfs/dbraw/zinc/51/93/87/1440519387.db2.gz OOYUPBNXMBPZDY-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753878142 1440519993 /nfs/dbraw/zinc/51/99/93/1440519993.db2.gz NXPIQTGCCRMUTG-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754024942 1440533052 /nfs/dbraw/zinc/53/30/52/1440533052.db2.gz AJTTXKJBJBJDTD-OALUTQOASA-N 2 0 345.531 3.416 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754026109 1440533107 /nfs/dbraw/zinc/53/31/07/1440533107.db2.gz XBXWIEXFOHDNBP-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754071509 1440538146 /nfs/dbraw/zinc/53/81/46/1440538146.db2.gz DHLOJJBEWWNVID-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]([NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC001754129846 1440543513 /nfs/dbraw/zinc/54/35/13/1440543513.db2.gz TWXZSJPJPVVDCL-FOSCPCJNSA-N 2 0 349.906 3.147 20 0 EGADRP C[C@H]([NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC001754129849 1440543527 /nfs/dbraw/zinc/54/35/27/1440543527.db2.gz TWXZSJPJPVVDCL-XVWMLYKFSA-N 2 0 349.906 3.147 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001754156691 1440545684 /nfs/dbraw/zinc/54/56/84/1440545684.db2.gz NEBLHPBGNMCSTK-XFHJGTJQSA-N 2 0 343.515 3.192 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754270847 1440561562 /nfs/dbraw/zinc/56/15/62/1440561562.db2.gz RRQCZVFAARHGMN-QFBILLFUSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCCCCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754323922 1440579544 /nfs/dbraw/zinc/57/95/44/1440579544.db2.gz NNAIZXQQTZFGOK-LNLFQRSKSA-N 2 0 337.552 3.124 20 0 EGADRP CCc1ccc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001754416636 1440596953 /nfs/dbraw/zinc/59/69/53/1440596953.db2.gz RIPPTGNGESEGNC-ROUUACIJSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001754531085 1440622485 /nfs/dbraw/zinc/62/24/85/1440622485.db2.gz ORXJHKLBGZRLPJ-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001754554550 1440630912 /nfs/dbraw/zinc/63/09/12/1440630912.db2.gz LZLVXMVPYMWWLE-HDICACEKSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001754560605 1440633555 /nfs/dbraw/zinc/63/35/55/1440633555.db2.gz RHGOPFLPJIZTEQ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001754565733 1440635448 /nfs/dbraw/zinc/63/54/48/1440635448.db2.gz SJYQTJVBKQZRFG-FPOVZHCZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754566155 1440635735 /nfs/dbraw/zinc/63/57/35/1440635735.db2.gz WUPLVRORUCUYDL-AZUAARDMSA-N 2 0 349.563 3.077 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C2)c1 ZINC001754602939 1440642767 /nfs/dbraw/zinc/64/27/67/1440642767.db2.gz FFPIXZQSTXTOEB-YLJYHZDGSA-N 2 0 345.531 3.058 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]2C[NH2+]CCC2=CCCCC2)CC1 ZINC001754617742 1440644724 /nfs/dbraw/zinc/64/47/24/1440644724.db2.gz VNGFEOLLFXTSDQ-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CC1(NC(=O)CC[NH+]2CCCCC2)CC[NH+](CC2=CCCCC2)CC1 ZINC001754630313 1440647592 /nfs/dbraw/zinc/64/75/92/1440647592.db2.gz XEZONMZNZVZBED-UHFFFAOYSA-N 2 0 347.547 3.334 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C1CCCC1 ZINC001754651909 1440652227 /nfs/dbraw/zinc/65/22/27/1440652227.db2.gz WCMINNOQZSQXJD-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754702108 1440668144 /nfs/dbraw/zinc/66/81/44/1440668144.db2.gz NLFXHCJJXWZQTJ-HXUWFJFHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[NH+]1CCCCCC1 ZINC001754830980 1440695029 /nfs/dbraw/zinc/69/50/29/1440695029.db2.gz KLIOVZXTQULVJJ-RSPOEFSDSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001754935609 1440711192 /nfs/dbraw/zinc/71/11/92/1440711192.db2.gz NEEWJLITFZPDAA-LJQANCHMSA-N 2 0 345.531 3.236 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001755078102 1440749951 /nfs/dbraw/zinc/74/99/51/1440749951.db2.gz IQQSAISYTOZCRR-HXUWFJFHSA-N 2 0 347.547 3.120 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c(C)c1 ZINC001755165079 1440766631 /nfs/dbraw/zinc/76/66/31/1440766631.db2.gz DXRJLPZTCLZSAX-ICSRJNTNSA-N 2 0 345.531 3.113 20 0 EGADRP CC[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001755184036 1440772222 /nfs/dbraw/zinc/77/22/22/1440772222.db2.gz LXXTYTXJTCMWII-UHFFFAOYSA-N 2 0 349.563 3.389 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001755195170 1440776492 /nfs/dbraw/zinc/77/64/92/1440776492.db2.gz KQTSJVYHTBVTKK-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccc(C)c(C[NH+](C)C[C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001755202512 1440780807 /nfs/dbraw/zinc/78/08/07/1440780807.db2.gz HCARKCYORXZQKI-FQEVSTJZSA-N 2 0 345.531 3.066 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001755249222 1440791396 /nfs/dbraw/zinc/79/13/96/1440791396.db2.gz OCJKAAXHDVFHEJ-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755264276 1440795500 /nfs/dbraw/zinc/79/55/00/1440795500.db2.gz TWCWYIDWOXANBV-CABCVRRESA-N 2 0 347.528 3.226 20 0 EGADRP CC[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001755277310 1440799579 /nfs/dbraw/zinc/79/95/79/1440799579.db2.gz HWBIIKSOSWXMCU-OALUTQOASA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001755282345 1440800872 /nfs/dbraw/zinc/80/08/72/1440800872.db2.gz OHZCODCEWDOMLI-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1c(C(=O)NC[C@H](C)[N@H+](C)CC2CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001755305987 1440810926 /nfs/dbraw/zinc/81/09/26/1440810926.db2.gz ANNGELCQPBLCNQ-AWEZNQCLSA-N 2 0 342.487 3.129 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)CC1=CCCCC1 ZINC001755329104 1440823772 /nfs/dbraw/zinc/82/37/72/1440823772.db2.gz WMKHNJVMSZAIJV-QGZVFWFLSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)[C@@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CC1 ZINC001755339970 1440824749 /nfs/dbraw/zinc/82/47/49/1440824749.db2.gz QISWBUICEUUDEW-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001755363372 1440832939 /nfs/dbraw/zinc/83/29/39/1440832939.db2.gz IILVHVPECRVHNR-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001755412903 1440847155 /nfs/dbraw/zinc/84/71/55/1440847155.db2.gz SFZZBEICPKMJQS-QGZVFWFLSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001755452514 1440854118 /nfs/dbraw/zinc/85/41/18/1440854118.db2.gz JRTQMIWYELMUEW-GBESFXJTSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001755476953 1440859503 /nfs/dbraw/zinc/85/95/03/1440859503.db2.gz COTLOELTCLOIQX-KZNAEPCWSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2=CCCCC2)CC1 ZINC001755523206 1440865256 /nfs/dbraw/zinc/86/52/56/1440865256.db2.gz PKOGBQZXAHQACS-SFHVURJKSA-N 2 0 349.563 3.482 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001755703359 1440901294 /nfs/dbraw/zinc/90/12/94/1440901294.db2.gz XMPQIELBBNJNJK-FTEYMNFISA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755712520 1440903947 /nfs/dbraw/zinc/90/39/47/1440903947.db2.gz MSVBOWSPKFDTKC-UFYCRDLUSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CCCCC1 ZINC001755716494 1440905310 /nfs/dbraw/zinc/90/53/10/1440905310.db2.gz AGRIRZOEVHTSOV-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001755717835 1440905744 /nfs/dbraw/zinc/90/57/44/1440905744.db2.gz JPIZYCPILHQGDS-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)[C@H]1C ZINC001755722258 1440907861 /nfs/dbraw/zinc/90/78/61/1440907861.db2.gz HEUMSDAVQLYRJT-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001755746027 1440912481 /nfs/dbraw/zinc/91/24/81/1440912481.db2.gz KQGFABDHPHZKFF-HKUYNNGSSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CC[N@@H+]1C ZINC001755758584 1440914535 /nfs/dbraw/zinc/91/45/35/1440914535.db2.gz AUEUDPJBGMBASU-QRQLOZEOSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001755827666 1440927755 /nfs/dbraw/zinc/92/77/55/1440927755.db2.gz QNQFZRAKOCIIDS-ZWKOTPCHSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001755861864 1440936920 /nfs/dbraw/zinc/93/69/20/1440936920.db2.gz LEVJZNOQEAGZAB-ACBHZAAOSA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(C[NH3+])CC2)nc1 ZINC001164389801 718813270 /nfs/dbraw/zinc/81/32/70/718813270.db2.gz ZFDFGHVALNKDIK-KRWDZBQOSA-N 2 0 334.483 3.286 20 0 EGADRP Cn1cncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368091047 168309662 /nfs/dbraw/zinc/30/96/62/168309662.db2.gz VFAKGGAHOIEINJ-SESVDKBCSA-N 2 0 338.499 3.201 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346851410 282240665 /nfs/dbraw/zinc/24/06/65/282240665.db2.gz JQMIWLBIIBLKRO-ZOCIIQOWSA-N 2 0 344.890 3.393 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3nc(-c4ccccc4)no3)CC[C@@H]21 ZINC000158853795 530064520 /nfs/dbraw/zinc/06/45/20/530064520.db2.gz OKIJDDKJXPFNTK-ROUUACIJSA-N 2 0 340.471 3.085 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(F)c1 ZINC000126732212 222742460 /nfs/dbraw/zinc/74/24/60/222742460.db2.gz OYCZGCUNXRMUHZ-QGZVFWFLSA-N 2 0 341.474 3.424 20 0 EGADRP Cc1cccn2cc(CNC3CC[NH+](Cc4ccccc4)CC3)nc12 ZINC000102680027 219221230 /nfs/dbraw/zinc/22/12/30/219221230.db2.gz BMZPENXJXXTBSD-UHFFFAOYSA-N 2 0 334.467 3.397 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000179703732 233340487 /nfs/dbraw/zinc/34/04/87/233340487.db2.gz UTBBLAWKDMTJOH-LJQANCHMSA-N 2 0 345.487 3.066 20 0 EGADRP Cc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1C ZINC000069171449 215366967 /nfs/dbraw/zinc/36/69/67/215366967.db2.gz CXGHIOKDTIFPFV-JOCHJYFZSA-N 2 0 337.511 3.382 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000081362803 283060119 /nfs/dbraw/zinc/06/01/19/283060119.db2.gz JVJMGJFZOORKTL-AZUAARDMSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000183880061 235251393 /nfs/dbraw/zinc/25/13/93/235251393.db2.gz HFJAKZWRVZIEJT-OAHLLOKOSA-N 2 0 333.476 3.008 20 0 EGADRP Cc1nccnc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000187900943 236332526 /nfs/dbraw/zinc/33/25/26/236332526.db2.gz LIUSKMLSFWCOIU-OAHLLOKOSA-N 2 0 330.501 3.409 20 0 EGADRP c1ccc(OCCCCC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000188000335 236377589 /nfs/dbraw/zinc/37/75/89/236377589.db2.gz MLFZXZCBOBTQDI-IBGZPJMESA-N 2 0 346.515 3.326 20 0 EGADRP c1ccc(OCCCCC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000188000360 236377970 /nfs/dbraw/zinc/37/79/70/236377970.db2.gz MLFZXZCBOBTQDI-LJQANCHMSA-N 2 0 346.515 3.326 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193912769 240358001 /nfs/dbraw/zinc/35/80/01/240358001.db2.gz KFWSMPIYPZLZRY-WOJBJXKFSA-N 2 0 348.556 3.277 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000130302385 223142285 /nfs/dbraw/zinc/14/22/85/223142285.db2.gz GVVWYQPEANOVGG-MGPUTAFESA-N 2 0 346.446 3.150 20 0 EGADRP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000378544253 242084213 /nfs/dbraw/zinc/08/42/13/242084213.db2.gz LPDZBPKTRXSLDT-HNNXBMFYSA-N 2 0 333.442 3.010 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262680023 245116554 /nfs/dbraw/zinc/11/65/54/245116554.db2.gz WHIHPTXPCJCGKT-QRFRQXIXSA-N 2 0 331.504 3.015 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000264928030 247052828 /nfs/dbraw/zinc/05/28/28/247052828.db2.gz ROHGIXSEGIIAKX-HXUWFJFHSA-N 2 0 345.531 3.137 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093405165 218222246 /nfs/dbraw/zinc/22/22/46/218222246.db2.gz WKGRKNTVXCYBGG-UYAOXDASSA-N 2 0 347.547 3.318 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093688665 218242490 /nfs/dbraw/zinc/24/24/90/218242490.db2.gz BFDCBDQTGIXDQZ-UHFFFAOYSA-N 2 0 327.476 3.026 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263305514 296312668 /nfs/dbraw/zinc/31/26/68/296312668.db2.gz XTLULEFFQRVJNA-AJYBTWMASA-N 2 0 335.536 3.007 20 0 EGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000268744806 252195771 /nfs/dbraw/zinc/19/57/71/252195771.db2.gz ADEVYFFGNVXDAQ-FQEVSTJZSA-N 2 0 340.467 3.413 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000268797661 252249650 /nfs/dbraw/zinc/24/96/50/252249650.db2.gz GRZYNSDSIDQRKY-CVEARBPZSA-N 2 0 344.503 3.351 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000268833793 252283347 /nfs/dbraw/zinc/28/33/47/252283347.db2.gz ARHYHVDERYEFPE-RTWAWAEBSA-N 2 0 329.532 3.330 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110174247 285098584 /nfs/dbraw/zinc/09/85/84/285098584.db2.gz JMUIHTSHYOSONL-SFHVURJKSA-N 2 0 345.531 3.379 20 0 EGADRP OCCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000367614935 285251559 /nfs/dbraw/zinc/25/15/59/285251559.db2.gz JGRZOYBSPISWIS-NJDAHSKKSA-N 2 0 342.527 3.429 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000269127587 255532965 /nfs/dbraw/zinc/53/29/65/255532965.db2.gz GIPJCDGTUYWCFO-UHFFFAOYSA-N 2 0 337.423 3.466 20 0 EGADRP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843481 221193968 /nfs/dbraw/zinc/19/39/68/221193968.db2.gz AXZVJQPAUFMSAA-IBGZPJMESA-N 2 0 339.483 3.434 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000165289275 533427383 /nfs/dbraw/zinc/42/73/83/533427383.db2.gz ODBOKYDTFDHAFO-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP CCCOc1c(Br)cc(C[NH2+]CCCC[NH3+])cc1OC ZINC000037715340 140805883 /nfs/dbraw/zinc/80/58/83/140805883.db2.gz RSTJEVQQQKGRCM-UHFFFAOYSA-N 2 0 345.281 3.075 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237555576 141008051 /nfs/dbraw/zinc/00/80/51/141008051.db2.gz JNNSIUIPUOFNQO-HSALFYBXSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000247003500 141048289 /nfs/dbraw/zinc/04/82/89/141048289.db2.gz JYXDSGAXWAPGDL-YZLZLFLDSA-N 2 0 326.488 3.227 20 0 EGADRP O[C@]1(CNCc2ccc(F)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000344514019 141167244 /nfs/dbraw/zinc/16/72/44/141167244.db2.gz BYRDFXADGCBIHU-IBGZPJMESA-N 2 0 348.849 3.206 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3coc4ccccc34)CC2)CC1 ZINC000350556639 141253380 /nfs/dbraw/zinc/25/33/80/141253380.db2.gz NIMDOWKOHZXSHU-UHFFFAOYSA-N 2 0 341.499 3.282 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352964157 141279019 /nfs/dbraw/zinc/27/90/19/141279019.db2.gz RUMUHKPFYIRSBD-GTPINHCMSA-N 2 0 335.923 3.202 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)CCn1cccn1)N1CCc2ccccc2C1 ZINC000353354676 141293756 /nfs/dbraw/zinc/29/37/56/141293756.db2.gz PZVHEKBPJYHLQK-RXVVDRJESA-N 2 0 340.515 3.334 20 0 EGADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000353472352 141304495 /nfs/dbraw/zinc/30/44/95/141304495.db2.gz TULZDDJSNZHVQW-NSISKUIASA-N 2 0 343.515 3.491 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000353476982 141305345 /nfs/dbraw/zinc/30/53/45/141305345.db2.gz ZXPDEOYHDUGOJH-AHRSYUTCSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000354576855 141309146 /nfs/dbraw/zinc/30/91/46/141309146.db2.gz LKVDSLNKLSPWIY-GOSISDBHSA-N 2 0 343.515 3.134 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1)C(C)C ZINC000356273136 141333674 /nfs/dbraw/zinc/33/36/74/141333674.db2.gz DVZSPFNDFIXVDD-UHFFFAOYSA-N 2 0 331.504 3.083 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)N2CCCC2)c1 ZINC000356850502 141354640 /nfs/dbraw/zinc/35/46/40/141354640.db2.gz QPQBINJUEMCIML-HQRMLTQVSA-N 2 0 332.488 3.237 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H]3CCN(C4CC4)C3)cc2)cs1 ZINC000356857144 141355191 /nfs/dbraw/zinc/35/51/91/141355191.db2.gz AVNCJKVNIDTANY-INIZCTEOSA-N 2 0 343.496 3.357 20 0 EGADRP C[C@@H](CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806383 549335025 /nfs/dbraw/zinc/33/50/25/549335025.db2.gz ZBGVMYZFMGSLFM-AZUAARDMSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c(-c2ccnn2C)c1 ZINC000338438718 292105504 /nfs/dbraw/zinc/10/55/04/292105504.db2.gz UOBBKWYFQKHSRM-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1 ZINC000186928230 144146695 /nfs/dbraw/zinc/14/66/95/144146695.db2.gz MHXXFMHVXAQITF-IAGOWNOFSA-N 2 0 331.504 3.020 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414848740 309105373 /nfs/dbraw/zinc/10/53/73/309105373.db2.gz XEASOSYTMSCEOK-INIZCTEOSA-N 2 0 335.923 3.284 20 0 EGADRP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000118868305 152159465 /nfs/dbraw/zinc/15/94/65/152159465.db2.gz DUUBEVKXLRPMLC-MRXNPFEDSA-N 2 0 347.503 3.076 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3C[C@H](C)N(C4CC4)C3)cc2)n1 ZINC000119303341 152192876 /nfs/dbraw/zinc/19/28/76/152192876.db2.gz YTCLIEOVXWAUSF-YOEHRIQHSA-N 2 0 340.471 3.056 20 0 EGADRP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192925061 153267674 /nfs/dbraw/zinc/26/76/74/153267674.db2.gz GJNVHXVJVDYCIV-IBGZPJMESA-N 2 0 338.451 3.085 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345306937 156047991 /nfs/dbraw/zinc/04/79/91/156047991.db2.gz UPWINWBVJIKDLE-HNAYVOBHSA-N 2 0 335.923 3.407 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@H]12 ZINC000346828919 156154702 /nfs/dbraw/zinc/15/47/02/156154702.db2.gz NQUGMRQRMIUMHF-YTQUADARSA-N 2 0 332.451 3.195 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)c(F)c1 ZINC000348935424 156293853 /nfs/dbraw/zinc/29/38/53/156293853.db2.gz PNEFMHOQCCZZND-UHFFFAOYSA-N 2 0 329.891 3.185 20 0 EGADRP CCOc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000349126091 156361152 /nfs/dbraw/zinc/36/11/52/156361152.db2.gz FUOZLWMCUPKIRZ-SFHVURJKSA-N 2 0 332.488 3.258 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)cc1O ZINC000362084082 157014058 /nfs/dbraw/zinc/01/40/58/157014058.db2.gz AGFLEIRZQCGNOG-MRXNPFEDSA-N 2 0 327.428 3.181 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000125529043 162275183 /nfs/dbraw/zinc/27/51/83/162275183.db2.gz HPSHPEBCRNMBCB-YPAWHYETSA-N 2 0 341.543 3.457 20 0 EGADRP COC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000126303581 162299676 /nfs/dbraw/zinc/29/96/76/162299676.db2.gz SARQGDYUXXEIML-INIZCTEOSA-N 2 0 330.394 3.324 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151857587 162606080 /nfs/dbraw/zinc/60/60/80/162606080.db2.gz MPLMGQJISJPENW-ZDUSSCGKSA-N 2 0 339.549 3.104 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248404765 163001871 /nfs/dbraw/zinc/00/18/71/163001871.db2.gz QRMJVIVPLJKPLN-ADHGMGHFSA-N 2 0 335.536 3.017 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1n1ccnc1 ZINC000248555513 163013300 /nfs/dbraw/zinc/01/33/00/163013300.db2.gz KOMRUEKRMYBQJX-SJLPKXTDSA-N 2 0 346.519 3.051 20 0 EGADRP COc1ccc(OCCC[N@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)cc1 ZINC000337074974 163122425 /nfs/dbraw/zinc/12/24/25/163122425.db2.gz PSQBGSXEXNVUGJ-RXVVDRJESA-N 2 0 340.467 3.138 20 0 EGADRP c1ccc2ncc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2c1 ZINC000337143056 163142808 /nfs/dbraw/zinc/14/28/08/163142808.db2.gz USWZOGFSNCMIFB-UHFFFAOYSA-N 2 0 339.483 3.169 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327934 163211162 /nfs/dbraw/zinc/21/11/62/163211162.db2.gz PJEOKHDDNKWWDR-UXHICEINSA-N 2 0 329.532 3.361 20 0 EGADRP CO[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000338571163 163276543 /nfs/dbraw/zinc/27/65/43/163276543.db2.gz OTQRFXWYHKFSKP-NRFANRHFSA-N 2 0 346.515 3.199 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000338796289 163351420 /nfs/dbraw/zinc/35/14/20/163351420.db2.gz GDUQQMRJIDRBHO-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP COCc1cccc(OCC2(C[N@H+](C)[C@H]3CCN(C)[C@@H](C)C3)CC2)c1 ZINC000354795510 166034128 /nfs/dbraw/zinc/03/41/28/166034128.db2.gz WXCGHUKMCVZPOX-HKUYNNGSSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000343643884 164002260 /nfs/dbraw/zinc/00/22/60/164002260.db2.gz APEVGLSAVUEXQL-VOQZNFBZSA-N 2 0 336.479 3.462 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000343761883 164029373 /nfs/dbraw/zinc/02/93/73/164029373.db2.gz ILZUGPYBWZIAOK-YLJYHZDGSA-N 2 0 327.516 3.428 20 0 EGADRP Cc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000343862797 164052828 /nfs/dbraw/zinc/05/28/28/164052828.db2.gz IFIOFGCPDUPBDX-UHFFFAOYSA-N 2 0 341.474 3.042 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000350259428 165022422 /nfs/dbraw/zinc/02/24/22/165022422.db2.gz VOIUVLOIMRHHDD-GOEBONIOSA-N 2 0 326.431 3.459 20 0 EGADRP Cc1ccc2[nH]c(C[NH+]3CCC(OCC[NH+](C)C)CC3)cc2c1C ZINC000352003141 165187924 /nfs/dbraw/zinc/18/79/24/165187924.db2.gz PCTUNRHZWHLOGB-UHFFFAOYSA-N 2 0 329.488 3.327 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000355412753 166189622 /nfs/dbraw/zinc/18/96/22/166189622.db2.gz SHHJXLZPZODIHL-IAGOWNOFSA-N 2 0 347.503 3.219 20 0 EGADRP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cn2ccnc12 ZINC000355428970 166196378 /nfs/dbraw/zinc/19/63/78/166196378.db2.gz ZILWAHYGAYVTKY-OAHLLOKOSA-N 2 0 326.444 3.236 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000359252172 167106631 /nfs/dbraw/zinc/10/66/31/167106631.db2.gz NZCZLPRVZQYWQL-UXHICEINSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359315182 167123061 /nfs/dbraw/zinc/12/30/61/167123061.db2.gz VUYDUGKJAPGKMR-ZYSHUDEJSA-N 2 0 335.451 3.151 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000359323516 167125327 /nfs/dbraw/zinc/12/53/27/167125327.db2.gz OSJIWADHVXKXNN-INIZCTEOSA-N 2 0 342.405 3.203 20 0 EGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000359555639 167191923 /nfs/dbraw/zinc/19/19/23/167191923.db2.gz KWIYTLPUNODCRX-MAUKXSAKSA-N 2 0 343.471 3.200 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000360720240 167397609 /nfs/dbraw/zinc/39/76/09/167397609.db2.gz XZXIECSSQIHKPD-RXVVDRJESA-N 2 0 329.532 3.492 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1csc(Cl)c1 ZINC000364917725 168001543 /nfs/dbraw/zinc/00/15/43/168001543.db2.gz QUXPGCCUICIACJ-GXTWGEPZSA-N 2 0 327.925 3.221 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCSCc1ccccc1 ZINC000366833341 168146918 /nfs/dbraw/zinc/14/69/18/168146918.db2.gz KMCHPGXNCATZBL-QRVBRYPASA-N 2 0 334.529 3.103 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)s2)cn1 ZINC000367343931 168211158 /nfs/dbraw/zinc/21/11/58/168211158.db2.gz QURZMKPGCAVUIS-UHFFFAOYSA-N 2 0 344.528 3.456 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263305517 287272419 /nfs/dbraw/zinc/27/24/19/287272419.db2.gz XTLULEFFQRVJNA-RMJJICAUSA-N 2 0 335.536 3.007 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000159246397 225178799 /nfs/dbraw/zinc/17/87/99/225178799.db2.gz VFACAKNDLPXXTQ-OAQYLSRUSA-N 2 0 330.516 3.407 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C[NH+]1CCCC1 ZINC000165268619 226118346 /nfs/dbraw/zinc/11/83/46/226118346.db2.gz ZUCVDYRSDXCAKB-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000123908538 222350348 /nfs/dbraw/zinc/35/03/48/222350348.db2.gz HCNJCKCISDLAHW-UHFFFAOYSA-N 2 0 343.437 3.255 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177377876 265249240 /nfs/dbraw/zinc/24/92/40/265249240.db2.gz URMXIUNWBCXGTF-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000180077868 265394607 /nfs/dbraw/zinc/39/46/07/265394607.db2.gz PVFUTLUEUQVUOQ-FQEVSTJZSA-N 2 0 349.588 3.419 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC000237147367 266225029 /nfs/dbraw/zinc/22/50/29/266225029.db2.gz PRYAIPAUEBTELB-FHWLQOOXSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000270898998 266572657 /nfs/dbraw/zinc/57/26/57/266572657.db2.gz MFJJSRUWVSMPMZ-OAQYLSRUSA-N 2 0 345.506 3.303 20 0 EGADRP CCN(CC)C(=O)CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272526274 266863155 /nfs/dbraw/zinc/86/31/55/266863155.db2.gz AKGXMQOMCWLMGZ-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000274559214 267254492 /nfs/dbraw/zinc/25/44/92/267254492.db2.gz YYSUEUVHRAHLQR-OAHLLOKOSA-N 2 0 343.471 3.097 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CCS2 ZINC000275357222 267349643 /nfs/dbraw/zinc/34/96/43/267349643.db2.gz RYRHCQXNGGTNMP-HKUYNNGSSA-N 2 0 347.572 3.456 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000275564854 267382605 /nfs/dbraw/zinc/38/26/05/267382605.db2.gz BSCJBXMFCDTOET-UHFFFAOYSA-N 2 0 346.519 3.175 20 0 EGADRP CCOc1c(OC)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000278483361 268023880 /nfs/dbraw/zinc/02/38/80/268023880.db2.gz JWGFKKDBPOJSBW-UHFFFAOYSA-N 2 0 348.487 3.067 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278511745 268028744 /nfs/dbraw/zinc/02/87/44/268028744.db2.gz RLXQUVPBCHNHPK-SFHVURJKSA-N 2 0 346.515 3.489 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000278518260 268030127 /nfs/dbraw/zinc/03/01/27/268030127.db2.gz SDXGSFBQNXDQEO-KRWDZBQOSA-N 3 0 345.531 3.152 20 0 EGADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000278527541 268032491 /nfs/dbraw/zinc/03/24/91/268032491.db2.gz SZKGCAVTDPLNTN-DOTOQJQBSA-N 2 0 345.487 3.019 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1Br ZINC000044516519 275131769 /nfs/dbraw/zinc/13/17/69/275131769.db2.gz VTVDKMZBRQTOQL-LBPRGKRZSA-N 2 0 341.293 3.450 20 0 EGADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)CC1CCN(c2ccccn2)CC1 ZINC000125304124 275191573 /nfs/dbraw/zinc/19/15/73/275191573.db2.gz MXEGRNUYMXBOJF-LJQANCHMSA-N 2 0 330.520 3.104 20 0 EGADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000194895757 275229529 /nfs/dbraw/zinc/22/95/29/275229529.db2.gz BTVXBAATJQNSAZ-OXQOHEQNSA-N 2 0 344.499 3.163 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273092140 275245206 /nfs/dbraw/zinc/24/52/06/275245206.db2.gz RQXQJIMHPCOVQC-SFHVURJKSA-N 2 0 333.520 3.072 20 0 EGADRP Fc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1OC(F)F ZINC000278493111 275256108 /nfs/dbraw/zinc/25/61/08/275256108.db2.gz LQZPKXUSPYICBF-UHFFFAOYSA-N 2 0 328.378 3.391 20 0 EGADRP Cc1ccccc1NC(=O)CN1CCC(Oc2ccncc2C)CC1 ZINC000278616459 275259411 /nfs/dbraw/zinc/25/94/11/275259411.db2.gz MZQLZPSQUKQNRB-UHFFFAOYSA-N 2 0 339.439 3.180 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000278717455 275268230 /nfs/dbraw/zinc/26/82/30/275268230.db2.gz LZWBURLTLLWHHN-JRGCBEDISA-N 2 0 329.532 3.344 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)CC1 ZINC000284525355 275807442 /nfs/dbraw/zinc/80/74/42/275807442.db2.gz ZNDONRAAKQJZBW-UHFFFAOYSA-N 2 0 336.479 3.417 20 0 EGADRP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000359257543 276013163 /nfs/dbraw/zinc/01/31/63/276013163.db2.gz BJRQDJRKYAKELS-HXUWFJFHSA-N 2 0 345.531 3.121 20 0 EGADRP COc1ccncc1COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000287347278 276110657 /nfs/dbraw/zinc/11/06/57/276110657.db2.gz ZHLYNGPMNXMXDW-QGZVFWFLSA-N 2 0 340.423 3.046 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000287724965 276151079 /nfs/dbraw/zinc/15/10/79/276151079.db2.gz OTKQBUSXBFTALV-ROUUACIJSA-N 2 0 341.503 3.430 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000287733464 276151734 /nfs/dbraw/zinc/15/17/34/276151734.db2.gz PGUVTNXIPBRSIH-CJNGLKHVSA-N 2 0 346.874 3.113 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287904245 276168302 /nfs/dbraw/zinc/16/83/02/276168302.db2.gz ZUNARHMIJFXQHI-SJORKVTESA-N 2 0 327.476 3.038 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111039780 276309679 /nfs/dbraw/zinc/30/96/79/276309679.db2.gz MHOBGIHEKBVKML-FQEVSTJZSA-N 2 0 345.531 3.452 20 0 EGADRP CCOCCC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000341813283 276316873 /nfs/dbraw/zinc/31/68/73/276316873.db2.gz VVXOBZDHCXLJQU-MRXNPFEDSA-N 2 0 337.483 3.045 20 0 EGADRP COCCOCc1ccc(C[NH2+]CCCCCCC[NH+](C)C)cc1 ZINC000289637117 276370094 /nfs/dbraw/zinc/37/00/94/276370094.db2.gz GUZNSWMNDCOUSI-UHFFFAOYSA-N 2 0 336.520 3.451 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1O ZINC000289704246 276380815 /nfs/dbraw/zinc/38/08/15/276380815.db2.gz KNFUQRWADVIJTR-OAHLLOKOSA-N 2 0 344.455 3.192 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1O ZINC000289704239 276380941 /nfs/dbraw/zinc/38/09/41/276380941.db2.gz KNFUQRWADVIJTR-HNNXBMFYSA-N 2 0 344.455 3.192 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nccc2ccccc21 ZINC000289745201 276387201 /nfs/dbraw/zinc/38/72/01/276387201.db2.gz MFXYJUAEDCRYHK-QGZVFWFLSA-N 2 0 340.515 3.159 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290399864 276489829 /nfs/dbraw/zinc/48/98/29/276489829.db2.gz SVBINZACYLYHFD-HNNXBMFYSA-N 2 0 339.549 3.422 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123183701 277051643 /nfs/dbraw/zinc/05/16/43/277051643.db2.gz GGRNJTSLFORRDA-VQTJNVASSA-N 2 0 329.532 3.186 20 0 EGADRP CO[C@H](C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000338545315 277328932 /nfs/dbraw/zinc/32/89/32/277328932.db2.gz AFBTYYXXELNCQE-LVCYWYKZSA-N 2 0 346.515 3.195 20 0 EGADRP C[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCCC1 ZINC000303519092 278154958 /nfs/dbraw/zinc/15/49/58/278154958.db2.gz DUDQYPKCJANNIF-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)CN1CC[NH+](C)CC1 ZINC000123160562 278287505 /nfs/dbraw/zinc/28/75/05/278287505.db2.gz KGNPBEYNOTZHDH-SXLOBPIMSA-N 2 0 329.532 3.042 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CC1 ZINC000177288197 278358058 /nfs/dbraw/zinc/35/80/58/278358058.db2.gz ZSJDMVUSFVIPMG-MRXNPFEDSA-N 2 0 332.488 3.064 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000342693735 279006703 /nfs/dbraw/zinc/00/67/03/279006703.db2.gz MVNGMTLIGJDDKC-HNBVOPMISA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120024582 279247000 /nfs/dbraw/zinc/24/70/00/279247000.db2.gz DISGONKEEPAQSD-CYBMUJFWSA-N 2 0 335.467 3.442 20 0 EGADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC000367894286 279441439 /nfs/dbraw/zinc/44/14/39/279441439.db2.gz CESSXFYIKXMSCS-JKSUJKDBSA-N 2 0 334.426 3.341 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCNc3ccccc32)C[C@H](C)O1 ZINC000248749700 288161593 /nfs/dbraw/zinc/16/15/93/288161593.db2.gz BVJYENXRGCNXMQ-QKLQHJQFSA-N 2 0 331.504 3.412 20 0 EGADRP CC(C)[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000078725459 280251108 /nfs/dbraw/zinc/25/11/08/280251108.db2.gz XKDNPXYHPZGOAJ-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262054113 280303267 /nfs/dbraw/zinc/30/32/67/280303267.db2.gz ZXSHYFQLJKIVGI-UGSOOPFHSA-N 2 0 347.890 3.087 20 0 EGADRP COc1ccc(C2(C[NH2+][C@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000152665984 295113402 /nfs/dbraw/zinc/11/34/02/295113402.db2.gz SJFQEXNMMIYOND-UWVAXJGDSA-N 2 0 346.515 3.062 20 0 EGADRP COc1ccc([C@H](CCC(C)C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000361892373 295240040 /nfs/dbraw/zinc/24/00/40/295240040.db2.gz KVUZJQUDCZIGRF-IBGZPJMESA-N 2 0 334.504 3.219 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000051688427 307331259 /nfs/dbraw/zinc/33/12/59/307331259.db2.gz CBWDYCIEIRTDKJ-KRWDZBQOSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000056621301 307343935 /nfs/dbraw/zinc/34/39/35/307343935.db2.gz GYISEHRPXDCLST-BRWVUGGUSA-N 2 0 346.519 3.236 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000056600929 307343993 /nfs/dbraw/zinc/34/39/93/307343993.db2.gz WEFIKKBLISJBSU-UHFFFAOYSA-N 2 0 346.519 3.334 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000066960892 307363996 /nfs/dbraw/zinc/36/39/96/307363996.db2.gz VBSMKORKCGUFPN-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123167871 307536665 /nfs/dbraw/zinc/53/66/65/307536665.db2.gz VDUCBMIMZBJULR-DLBZAZTESA-N 2 0 339.524 3.144 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000414059193 309058235 /nfs/dbraw/zinc/05/82/35/309058235.db2.gz ILQIUXKSDHFXKD-QGZVFWFLSA-N 2 0 327.472 3.133 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414081498 309059816 /nfs/dbraw/zinc/05/98/16/309059816.db2.gz FBTXXSLMAIHVIU-IEBWSBKVSA-N 2 0 336.907 3.270 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000131589016 307646087 /nfs/dbraw/zinc/64/60/87/307646087.db2.gz HYARICRSHXPYMU-BZSNNMDCSA-N 2 0 345.531 3.358 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414173615 309064587 /nfs/dbraw/zinc/06/45/87/309064587.db2.gz FYUXOBAJHTTYIP-HOCLYGCPSA-N 2 0 333.476 3.036 20 0 EGADRP CCc1ncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000414317245 309072452 /nfs/dbraw/zinc/07/24/52/309072452.db2.gz JQVMQRGOIQOGSD-UHFFFAOYSA-N 2 0 330.501 3.102 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000414320695 309072797 /nfs/dbraw/zinc/07/27/97/309072797.db2.gz CIYWTANMECWYLD-MRXNPFEDSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246431172 307974842 /nfs/dbraw/zinc/97/48/42/307974842.db2.gz JLDOIKZWNZBFRK-QRVBRYPASA-N 2 0 331.504 3.059 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000414372683 309076103 /nfs/dbraw/zinc/07/61/03/309076103.db2.gz QECRUPHZZVPMMV-UHFFFAOYSA-N 2 0 330.451 3.093 20 0 EGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000249761664 308027997 /nfs/dbraw/zinc/02/79/97/308027997.db2.gz GYISEHRPXDCLST-ZACQAIPSSA-N 2 0 346.519 3.236 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000414447171 309080622 /nfs/dbraw/zinc/08/06/22/309080622.db2.gz WKSMLUUOYDOPHA-UZLBHIALSA-N 2 0 342.462 3.236 20 0 EGADRP Clc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c(-n2cncn2)c1 ZINC000292898990 308077892 /nfs/dbraw/zinc/07/78/92/308077892.db2.gz DOGZTQUTLDLYSD-UHFFFAOYSA-N 2 0 347.894 3.276 20 0 EGADRP COc1cc(OC)c(OC)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000293028243 308091810 /nfs/dbraw/zinc/09/18/10/308091810.db2.gz PNVPACWHMBZAGI-UHFFFAOYSA-N 2 0 336.476 3.068 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)[C@@H](C)C1 ZINC000293858135 308168293 /nfs/dbraw/zinc/16/82/93/308168293.db2.gz YUPMKKWNPGVJOY-DZGCQCFKSA-N 2 0 340.895 3.220 20 0 EGADRP CSc1ccc([C@H](CNC2CC[NH+](C(C)C)CC2)[NH+](C)C)cc1 ZINC000294926708 308272539 /nfs/dbraw/zinc/27/25/39/308272539.db2.gz HEXTVCXAYXTGMT-IBGZPJMESA-N 2 0 335.561 3.474 20 0 EGADRP C[N@H+](CCN1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000295009647 308281418 /nfs/dbraw/zinc/28/14/18/308281418.db2.gz SJCBHLUPXWVEMY-PZJWPPBQSA-N 2 0 327.516 3.067 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000295664164 308348711 /nfs/dbraw/zinc/34/87/11/308348711.db2.gz JPEJNZHWCDVPCE-DBXWQHBBSA-N 2 0 346.515 3.213 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000295897449 308372037 /nfs/dbraw/zinc/37/20/37/308372037.db2.gz YUQIWZFHOZWBPK-CSEOROSGSA-N 2 0 342.527 3.428 20 0 EGADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000414632833 309092884 /nfs/dbraw/zinc/09/28/84/309092884.db2.gz YEXRAQDBGUUEKK-UTUOFQBUSA-N 2 0 348.413 3.492 20 0 EGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccsc1 ZINC000295964788 308379376 /nfs/dbraw/zinc/37/93/76/308379376.db2.gz MIKLMJYAGFBGHW-KRWDZBQOSA-N 2 0 330.501 3.136 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414716124 309096992 /nfs/dbraw/zinc/09/69/92/309096992.db2.gz ZJPDNCZMVIZGIS-GXTWGEPZSA-N 2 0 331.287 3.176 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OCc1ccccc1 ZINC000414664873 309094433 /nfs/dbraw/zinc/09/44/33/309094433.db2.gz ULEBZAWSNZULCU-QFBILLFUSA-N 2 0 340.467 3.443 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414742270 309098308 /nfs/dbraw/zinc/09/83/08/309098308.db2.gz FYKPVOSCVDQNGE-DGCLKSJQSA-N 2 0 329.257 3.408 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297341095 308524162 /nfs/dbraw/zinc/52/41/62/308524162.db2.gz DNKJWHCUSAHBHC-MRXNPFEDSA-N 2 0 341.455 3.116 20 0 EGADRP C[C@H]1C[C@H](C[N@@H+]2CCOc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000414755220 309099033 /nfs/dbraw/zinc/09/90/33/309099033.db2.gz HCCYOALDOWEXFU-QWHCGFSZSA-N 2 0 339.277 3.032 20 0 EGADRP Fc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779906 309100571 /nfs/dbraw/zinc/10/05/71/309100571.db2.gz KXAQDUGHTMYNGU-CHWSQXEVSA-N 2 0 341.268 3.410 20 0 EGADRP CCOc1c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)nn1CC(C)C ZINC000414785399 309101193 /nfs/dbraw/zinc/10/11/93/309101193.db2.gz SOVRJDJCPJNBAE-ZWKOTPCHSA-N 2 0 348.535 3.068 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788488 309101245 /nfs/dbraw/zinc/10/12/45/309101245.db2.gz WPJGTAWTUNOZOP-DYXWJJEUSA-N 2 0 344.499 3.066 20 0 EGADRP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789184 309101563 /nfs/dbraw/zinc/10/15/63/309101563.db2.gz XVCKBNVHRQVUTL-LSDHHAIUSA-N 2 0 342.405 3.449 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC12CCOCC2 ZINC000414792386 309101637 /nfs/dbraw/zinc/10/16/37/309101637.db2.gz RWTLPPFYQPKSJV-SFHVURJKSA-N 2 0 344.499 3.195 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000414792852 309101727 /nfs/dbraw/zinc/10/17/27/309101727.db2.gz SYKLBTFZEBVPAK-MSOLQXFVSA-N 2 0 343.496 3.138 20 0 EGADRP C[C@H]1Cc2ccccc2N1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298338005 308604928 /nfs/dbraw/zinc/60/49/28/308604928.db2.gz JCDAKQSJVREDPV-KRWDZBQOSA-N 2 0 336.483 3.091 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414828934 309104258 /nfs/dbraw/zinc/10/42/58/309104258.db2.gz JYIPIBLWAAWNEO-ZDUSSCGKSA-N 2 0 346.393 3.116 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cs1 ZINC000414828791 309104295 /nfs/dbraw/zinc/10/42/95/309104295.db2.gz MXAYQLGCZKNNON-SJPCQFCGSA-N 2 0 343.496 3.403 20 0 EGADRP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414829276 309104344 /nfs/dbraw/zinc/10/43/44/309104344.db2.gz KOIPMLYGAKLLOH-INIZCTEOSA-N 2 0 340.467 3.460 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414842383 309105015 /nfs/dbraw/zinc/10/50/15/309105015.db2.gz BEZZZQSZCZHBSU-KKUMJFAQSA-N 2 0 337.895 3.343 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000305133345 308758518 /nfs/dbraw/zinc/75/85/18/308758518.db2.gz MPRGNPYVJIZRMV-DLBZAZTESA-N 2 0 339.524 3.144 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(O)c1Br ZINC000314963174 308765515 /nfs/dbraw/zinc/76/55/15/308765515.db2.gz ASIXJDIENFVYHJ-UHFFFAOYSA-N 2 0 329.282 3.365 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000411475234 308940651 /nfs/dbraw/zinc/94/06/51/308940651.db2.gz MOLNMLWYNGRPJX-HXUWFJFHSA-N 2 0 345.531 3.272 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414872264 309106543 /nfs/dbraw/zinc/10/65/43/309106543.db2.gz FODBTZYWWHEGFQ-QMMMGPOBSA-N 2 0 341.171 3.032 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414896034 309107925 /nfs/dbraw/zinc/10/79/25/309107925.db2.gz ASPFRZHQAQOHEH-QGZVFWFLSA-N 2 0 326.868 3.227 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(Cl)c1 ZINC000414897999 309108117 /nfs/dbraw/zinc/10/81/17/309108117.db2.gz APDCJLSLWFJYIB-KSSFIOAISA-N 2 0 337.895 3.345 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414904663 309108482 /nfs/dbraw/zinc/10/84/82/309108482.db2.gz NRMSHLSFXZXQKF-UHFFFAOYSA-N 2 0 325.456 3.237 20 0 EGADRP C[C@@]1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[NH2+]C1 ZINC000414911545 309108723 /nfs/dbraw/zinc/10/87/23/309108723.db2.gz ULTMTWQROSTTIA-HXUWFJFHSA-N 2 0 325.456 3.140 20 0 EGADRP COC[C@@]1(C[NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414956174 309111203 /nfs/dbraw/zinc/11/12/03/309111203.db2.gz OGTLGGYRTQMJGZ-PBHICJAKSA-N 2 0 344.421 3.385 20 0 EGADRP COc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Br ZINC000414979079 309112602 /nfs/dbraw/zinc/11/26/02/309112602.db2.gz UPAKTQWODIQUIU-ZDUSSCGKSA-N 2 0 327.266 3.080 20 0 EGADRP Fc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005786 309113743 /nfs/dbraw/zinc/11/37/43/309113743.db2.gz JRYNMYDSQPBTAQ-DZGCQCFKSA-N 2 0 327.241 3.066 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000415007434 309113923 /nfs/dbraw/zinc/11/39/23/309113923.db2.gz RJSLEWNQKSIYQH-GXTWGEPZSA-N 2 0 345.468 3.146 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c(Cl)c1 ZINC000415008214 309113969 /nfs/dbraw/zinc/11/39/69/309113969.db2.gz CXPLTRWQVNQWAI-UONOGXRCSA-N 2 0 325.884 3.473 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000415008286 309114001 /nfs/dbraw/zinc/11/40/01/309114001.db2.gz SFIVKDSPVJKODC-SOUVJXGZSA-N 2 0 337.895 3.473 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415013263 309114249 /nfs/dbraw/zinc/11/42/49/309114249.db2.gz YJVMGQQNRKCNTK-FXAWDEMLSA-N 2 0 347.522 3.371 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000415044204 309116228 /nfs/dbraw/zinc/11/62/28/309116228.db2.gz APACVIWWZKZBDJ-OAQYLSRUSA-N 2 0 338.499 3.116 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415076512 309118460 /nfs/dbraw/zinc/11/84/60/309118460.db2.gz CSABBXFKQSZFGA-IIMDRIAPSA-N 2 0 346.515 3.290 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415077073 309118682 /nfs/dbraw/zinc/11/86/82/309118682.db2.gz DQLDZTWKPRSXER-JKSUJKDBSA-N 2 0 341.455 3.360 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC000415079292 309118776 /nfs/dbraw/zinc/11/87/76/309118776.db2.gz JVIHDWROOXPZBS-CVEARBPZSA-N 2 0 336.907 3.366 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000415083039 309119000 /nfs/dbraw/zinc/11/90/00/309119000.db2.gz DXMNMMNRZOCDQL-FRRDWIJNSA-N 2 0 341.293 3.496 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415085059 309119148 /nfs/dbraw/zinc/11/91/48/309119148.db2.gz HTJSWFQDQIONEP-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000415084191 309119200 /nfs/dbraw/zinc/11/92/00/309119200.db2.gz OKZFXRTWQQFIBC-JSGCOSHPSA-N 2 0 346.393 3.257 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1-n1ccnc1 ZINC000415087444 309119319 /nfs/dbraw/zinc/11/93/19/309119319.db2.gz UODSDJFAYIYRPK-BPQIPLTHSA-N 2 0 328.435 3.022 20 0 EGADRP Fc1ccc(CN2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)c(Cl)c1 ZINC000415089837 309119516 /nfs/dbraw/zinc/11/95/16/309119516.db2.gz YFXXQFMFGDNBFR-IAGOWNOFSA-N 2 0 339.886 3.175 20 0 EGADRP Cc1cccc(-c2nn(Cc3ccccc3)cc2CN(C)CC[NH3+])c1 ZINC000415100101 309120339 /nfs/dbraw/zinc/12/03/39/309120339.db2.gz AFFUVNZZIGXDOS-UHFFFAOYSA-N 2 0 334.467 3.297 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+]CC3CC[NH2+]CC3)ccn2)cc1 ZINC000415111604 309120981 /nfs/dbraw/zinc/12/09/81/309120981.db2.gz RGYZIGXDTALSDG-UHFFFAOYSA-N 2 0 341.455 3.362 20 0 EGADRP C[NH2+]CCC1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000415797258 309144110 /nfs/dbraw/zinc/14/41/10/309144110.db2.gz ZTBHQUXHIBOGBZ-IBGZPJMESA-N 2 0 344.503 3.089 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000415904977 309147381 /nfs/dbraw/zinc/14/73/81/309147381.db2.gz HIGXTKKPQSURMA-QAPCUYQASA-N 2 0 332.492 3.133 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415922184 309148888 /nfs/dbraw/zinc/14/88/88/309148888.db2.gz SWTYNTVZCYIOGG-OAHLLOKOSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000415923467 309149055 /nfs/dbraw/zinc/14/90/55/309149055.db2.gz VDYMPFAVYSWPEU-SFHVURJKSA-N 2 0 344.503 3.136 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000415966804 309151754 /nfs/dbraw/zinc/15/17/54/309151754.db2.gz ALZRRJMHCLFIRD-UHFFFAOYSA-N 2 0 332.492 3.040 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970636 309152012 /nfs/dbraw/zinc/15/20/12/309152012.db2.gz FMBWEHIQMFYQPM-FUHWJXTLSA-N 2 0 344.503 3.264 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc(C[NH3+])cc3)C2)CC1 ZINC000415978939 309152500 /nfs/dbraw/zinc/15/25/00/309152500.db2.gz QBFKCVYJAVQDMB-GOSISDBHSA-N 2 0 344.503 3.121 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000415981740 309152654 /nfs/dbraw/zinc/15/26/54/309152654.db2.gz CMHWKIBCOGWTOM-UHFFFAOYSA-N 2 0 340.471 3.050 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000415985640 309152916 /nfs/dbraw/zinc/15/29/16/309152916.db2.gz SXBUBEYRNJKCNZ-BEFAXECRSA-N 2 0 340.471 3.219 20 0 EGADRP C[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000416128785 309159923 /nfs/dbraw/zinc/15/99/23/309159923.db2.gz GYCHNAAACRKGOT-LMMKCTJWSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)N1CC[NH+](C)CC1 ZINC000417322823 309201549 /nfs/dbraw/zinc/20/15/49/309201549.db2.gz NFHZIPBRGPXFID-WNRNVDISSA-N 2 0 335.561 3.102 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417925050 309228632 /nfs/dbraw/zinc/22/86/32/309228632.db2.gz BMMJVDQGBYTFME-MJUUVYJYSA-N 2 0 328.500 3.148 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000417982210 309230582 /nfs/dbraw/zinc/23/05/82/309230582.db2.gz MXMMIJJORXBOMU-BHDDXSALSA-N 2 0 336.479 3.147 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000420290216 309279585 /nfs/dbraw/zinc/27/95/85/309279585.db2.gz LPTJVNOTTALXCE-AWEZNQCLSA-N 2 0 344.459 3.128 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)CCC2)c1 ZINC000420292909 309279738 /nfs/dbraw/zinc/27/97/38/309279738.db2.gz QHKLCKNUBOPHTJ-MJGOQNOKSA-N 2 0 346.515 3.441 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420314992 309281394 /nfs/dbraw/zinc/28/13/94/309281394.db2.gz RISIUHFNWMKMOK-AWEZNQCLSA-N 2 0 330.428 3.170 20 0 EGADRP c1ccc2c(c1)CCN2CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420320889 309282037 /nfs/dbraw/zinc/28/20/37/309282037.db2.gz QRGLHIIWDUIAPK-GOSISDBHSA-N 2 0 327.516 3.151 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420322005 309282106 /nfs/dbraw/zinc/28/21/06/309282106.db2.gz DPRRSRKGNYAGHI-ARFHVFGLSA-N 2 0 347.528 3.057 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420331232 309282652 /nfs/dbraw/zinc/28/26/52/309282652.db2.gz DLPIMDPJDSWHKT-VQIMIIECSA-N 2 0 329.488 3.094 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420331229 309282654 /nfs/dbraw/zinc/28/26/54/309282654.db2.gz DLPIMDPJDSWHKT-APWZRJJASA-N 2 0 329.488 3.094 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1C ZINC000420333178 309282736 /nfs/dbraw/zinc/28/27/36/309282736.db2.gz FDQIPVODHZDVFU-QFBILLFUSA-N 2 0 329.488 3.094 20 0 EGADRP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420339505 309283261 /nfs/dbraw/zinc/28/32/61/309283261.db2.gz LWLPNBSWVKUKHM-ZWKOTPCHSA-N 2 0 340.471 3.121 20 0 EGADRP COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CCOCC[NH3+])c1 ZINC000420370576 309284819 /nfs/dbraw/zinc/28/48/19/309284819.db2.gz JPRVBXILSXYPTE-SFTDATJTSA-N 2 0 340.467 3.201 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000420385368 309285702 /nfs/dbraw/zinc/28/57/02/309285702.db2.gz SWMILRXHDDFPCJ-NHCUHLMSSA-N 2 0 346.515 3.291 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Cl ZINC000420411112 309286812 /nfs/dbraw/zinc/28/68/12/309286812.db2.gz YFPFLHINXMHTOF-WMLDXEAASA-N 2 0 335.879 3.133 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)ccc3F)CC2)CC1 ZINC000420986484 309306004 /nfs/dbraw/zinc/30/60/04/309306004.db2.gz YOAUKWUUMFIVSR-UHFFFAOYSA-N 2 0 333.495 3.126 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000421318839 309318118 /nfs/dbraw/zinc/31/81/18/309318118.db2.gz IKUHTKVGCHPQKX-UTKZUKDTSA-N 2 0 327.516 3.022 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(C4CC4)c3)ccn2)CC1 ZINC000421336945 309318911 /nfs/dbraw/zinc/31/89/11/309318911.db2.gz XRCJEQSFVFCXDR-UHFFFAOYSA-N 2 0 336.483 3.001 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000421367212 309320777 /nfs/dbraw/zinc/32/07/77/309320777.db2.gz DWEQJGGERBQLOL-PXNSSMCTSA-N 2 0 345.531 3.395 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000421369334 309320995 /nfs/dbraw/zinc/32/09/95/309320995.db2.gz HITCXLRSNIKQIH-HWKANZROSA-N 2 0 345.506 3.331 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1)C(C)C ZINC000421708015 309335890 /nfs/dbraw/zinc/33/58/90/309335890.db2.gz YWKQPOIPBGWXJZ-IBGZPJMESA-N 2 0 331.504 3.083 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818467 309341356 /nfs/dbraw/zinc/34/13/56/309341356.db2.gz AYBGHLFDWLKSOD-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccncc1Cl ZINC000421834397 309342250 /nfs/dbraw/zinc/34/22/50/309342250.db2.gz CFXBQMYKBUJVOH-WMLDXEAASA-N 2 0 345.874 3.152 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1 ZINC000421835957 309342406 /nfs/dbraw/zinc/34/24/06/309342406.db2.gz QOOJQTQWPAUHHN-QGZVFWFLSA-N 2 0 346.515 3.081 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000422722369 309364813 /nfs/dbraw/zinc/36/48/13/309364813.db2.gz XNLGSBIDZJFNQA-KBPBESRZSA-N 2 0 344.528 3.008 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422718921 309364894 /nfs/dbraw/zinc/36/48/94/309364894.db2.gz YBNSINRCRNHQNB-KRWDZBQOSA-N 2 0 346.515 3.184 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422720530 309364896 /nfs/dbraw/zinc/36/48/96/309364896.db2.gz SPQXVRPKAABFHE-WBVHZDCISA-N 2 0 327.428 3.139 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422733227 309365727 /nfs/dbraw/zinc/36/57/27/309365727.db2.gz QLKLWHXKRPBRCX-KSSFIOAISA-N 2 0 344.528 3.398 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422753709 309366668 /nfs/dbraw/zinc/36/66/68/309366668.db2.gz GHDRENJAFGYFPA-CQSZACIVSA-N 2 0 344.421 3.471 20 0 EGADRP CC(C)c1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422753999 309366702 /nfs/dbraw/zinc/36/67/02/309366702.db2.gz FQAGSIDCVDFMSU-QHAWAJNXSA-N 2 0 330.516 3.489 20 0 EGADRP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422755206 309366857 /nfs/dbraw/zinc/36/68/57/309366857.db2.gz FQLXLXPPCUDAAS-BBTUJRGHSA-N 2 0 336.435 3.356 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Cc1cccc(Br)c1 ZINC000422767627 309367385 /nfs/dbraw/zinc/36/73/85/309367385.db2.gz YLZUHKNIILRXQT-VBNZEHGJSA-N 2 0 325.294 3.487 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422784355 309368152 /nfs/dbraw/zinc/36/81/52/309368152.db2.gz PNZIHKRSIUMJHO-DYESRHJHSA-N 3 0 345.531 3.027 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422792253 309368424 /nfs/dbraw/zinc/36/84/24/309368424.db2.gz RBOCHAFZLHOAIA-JXXFODFXSA-N 2 0 328.456 3.011 20 0 EGADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422789745 309368428 /nfs/dbraw/zinc/36/84/28/309368428.db2.gz BNFOXAVDTNWNDW-GBESFXJTSA-N 2 0 329.488 3.291 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422793027 309368545 /nfs/dbraw/zinc/36/85/45/309368545.db2.gz XMSSRAFDHSEWFE-KSSFIOAISA-N 2 0 327.428 3.100 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422794909 309368669 /nfs/dbraw/zinc/36/86/69/309368669.db2.gz UTBFFUCAFYTMBM-MGPUTAFESA-N 2 0 326.488 3.026 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422797404 309368841 /nfs/dbraw/zinc/36/88/41/309368841.db2.gz MKBPTRPPEHBKBM-ICSRJNTNSA-N 2 0 326.415 3.480 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422809378 309369633 /nfs/dbraw/zinc/36/96/33/309369633.db2.gz MDWJGBIRTBLMTE-PKOBYXMFSA-N 2 0 346.515 3.337 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000422816112 309369939 /nfs/dbraw/zinc/36/99/39/309369939.db2.gz ZBYXAAQPTNTGCK-QHAWAJNXSA-N 2 0 338.499 3.332 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422814094 309369996 /nfs/dbraw/zinc/36/99/96/309369996.db2.gz ZMVFTOGCQANODJ-AVRDEDQJSA-N 2 0 337.511 3.331 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000422818410 309370146 /nfs/dbraw/zinc/37/01/46/309370146.db2.gz KIOJMCJQPKVPAT-GUDVDZBRSA-N 2 0 328.504 3.082 20 0 EGADRP c1nc2ccccc2n1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422829588 309370791 /nfs/dbraw/zinc/37/07/91/309370791.db2.gz PXYFRVWCYWPSHL-YOFSQIOKSA-N 2 0 346.478 3.457 20 0 EGADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422838662 309371131 /nfs/dbraw/zinc/37/11/31/309371131.db2.gz OSXXSEFRILAWIE-YESZJQIVSA-N 2 0 348.487 3.113 20 0 EGADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422838836 309371215 /nfs/dbraw/zinc/37/12/15/309371215.db2.gz YGMXSRQNHHVDNP-BVOGOJNSSA-N 2 0 327.516 3.413 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422850777 309371961 /nfs/dbraw/zinc/37/19/61/309371961.db2.gz DRIXJUUJLUSOMO-AZUAARDMSA-N 2 0 345.531 3.232 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422854941 309372263 /nfs/dbraw/zinc/37/22/63/309372263.db2.gz USUPMYDMBQTCMJ-IAGOWNOFSA-N 2 0 332.488 3.091 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422858765 309372382 /nfs/dbraw/zinc/37/23/82/309372382.db2.gz JEOGOSBLTNOVJD-NJDAHSKKSA-N 2 0 346.515 3.250 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422865159 309372613 /nfs/dbraw/zinc/37/26/13/309372613.db2.gz OGJGGRCCSMPSKR-OAHLLOKOSA-N 2 0 343.471 3.033 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000422869169 309372886 /nfs/dbraw/zinc/37/28/86/309372886.db2.gz WULDAEFASHAJGB-OBJOEFQTSA-N 2 0 328.403 3.335 20 0 EGADRP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422871353 309373027 /nfs/dbraw/zinc/37/30/27/309373027.db2.gz ZXCQVMPGRBVCQB-VAMGGRTRSA-N 2 0 332.488 3.112 20 0 EGADRP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422871354 309373066 /nfs/dbraw/zinc/37/30/66/309373066.db2.gz ZXCQVMPGRBVCQB-XUVXKRRUSA-N 2 0 332.488 3.112 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000422873122 309373113 /nfs/dbraw/zinc/37/31/13/309373113.db2.gz KBMZPXXASMNTHJ-RLFYNMQTSA-N 2 0 327.472 3.054 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422876912 309373386 /nfs/dbraw/zinc/37/33/86/309373386.db2.gz GRUZWOVOBGVFQH-IEBWSBKVSA-N 2 0 330.520 3.472 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000422877664 309373421 /nfs/dbraw/zinc/37/34/21/309373421.db2.gz IAEFWHNNVYOLEV-SWLSCSKDSA-N 2 0 325.294 3.444 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H](C)CCCC[NH3+])CCOCC2)cc1 ZINC000422885113 309374123 /nfs/dbraw/zinc/37/41/23/309374123.db2.gz YBUYXHPDGHQGIL-KRWDZBQOSA-N 2 0 334.504 3.241 20 0 EGADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422885694 309374160 /nfs/dbraw/zinc/37/41/60/309374160.db2.gz ZERMKQSWIHIYPN-LSTHTHJFSA-N 2 0 348.531 3.341 20 0 EGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)CCC[NH3+])CCOCC1 ZINC000422905803 309375563 /nfs/dbraw/zinc/37/55/63/309375563.db2.gz SVEFINZBOSXVRW-CQSZACIVSA-N 2 0 340.895 3.114 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000422910523 309375868 /nfs/dbraw/zinc/37/58/68/309375868.db2.gz QXRJPZSDOWNHMD-HZPDHXFCSA-N 2 0 326.488 3.020 20 0 EGADRP C[NH+](C)C1(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CCCCC1 ZINC000422931334 309376570 /nfs/dbraw/zinc/37/65/70/309376570.db2.gz XGTWNOQDSVTXHP-KRWDZBQOSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H](C[C@H]1COCCN1)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000422943850 309377404 /nfs/dbraw/zinc/37/74/04/309377404.db2.gz YUIJUXCDCTZSDO-UIAACRFSSA-N 2 0 328.431 3.272 20 0 EGADRP Cc1ccccc1OCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422948415 309377665 /nfs/dbraw/zinc/37/76/65/309377665.db2.gz RGCHQHWOCNWCFL-RXVVDRJESA-N 2 0 338.451 3.219 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C2(Cc3ccccc3)CCC2)CC[NH2+]CC1 ZINC000422960691 309378197 /nfs/dbraw/zinc/37/81/97/309378197.db2.gz XGZKCSHWBNCHOC-KRWDZBQOSA-N 2 0 344.499 3.063 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957865 309378316 /nfs/dbraw/zinc/37/83/16/309378316.db2.gz VNOFMFLKONNUON-HOTGVXAUSA-N 2 0 330.501 3.245 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422986171 309379651 /nfs/dbraw/zinc/37/96/51/309379651.db2.gz GOVDXHMPGHXAEO-MJGOQNOKSA-N 3 0 330.520 3.198 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423015052 309381046 /nfs/dbraw/zinc/38/10/46/309381046.db2.gz QHLAPEBVSFQNCQ-RDJZCZTQSA-N 2 0 342.462 3.307 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423016234 309381088 /nfs/dbraw/zinc/38/10/88/309381088.db2.gz SJYUWTYZQJTBJB-SNVBAGLBSA-N 2 0 339.789 3.240 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000423024563 309381592 /nfs/dbraw/zinc/38/15/92/309381592.db2.gz MBDPOGMXMPAKKZ-RUXDESIVSA-N 2 0 325.859 3.165 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000423027893 309381724 /nfs/dbraw/zinc/38/17/24/309381724.db2.gz FKEIPTFYIBSELG-NMBAIYOOSA-N 3 0 327.516 3.147 20 0 EGADRP C[C@H](CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCCCC1 ZINC000423035675 309382306 /nfs/dbraw/zinc/38/23/06/309382306.db2.gz SGOKMHWKXVSHCZ-QFUCXCTJSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423037811 309382501 /nfs/dbraw/zinc/38/25/01/309382501.db2.gz CAJCPWFJEJPHST-IGCXYCKISA-N 2 0 325.859 3.036 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423042373 309382636 /nfs/dbraw/zinc/38/26/36/309382636.db2.gz KWJBMSIRLORWFZ-AHIWAGSCSA-N 2 0 325.859 3.165 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423055937 309383404 /nfs/dbraw/zinc/38/34/04/309383404.db2.gz XFBGFIOMCLXCQH-NQYLQCIDSA-N 2 0 325.456 3.420 20 0 EGADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC000423076746 309384651 /nfs/dbraw/zinc/38/46/51/309384651.db2.gz RXTFXMVQNVQQQZ-YMQHIKHWSA-N 2 0 346.490 3.192 20 0 EGADRP CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423079571 309384772 /nfs/dbraw/zinc/38/47/72/309384772.db2.gz QYKVZXHLAJXCED-OWCLPIDISA-N 2 0 335.458 3.161 20 0 EGADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423080837 309384849 /nfs/dbraw/zinc/38/48/49/309384849.db2.gz ASBYKQFXAXQDLW-HKUYMTLNSA-N 2 0 332.463 3.209 20 0 EGADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423094326 309385610 /nfs/dbraw/zinc/38/56/10/309385610.db2.gz JXISGLKNOYDGFT-DABHTEOTSA-N 2 0 332.463 3.209 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423110553 309386560 /nfs/dbraw/zinc/38/65/60/309386560.db2.gz VBBKVHXLEWLQAT-AABGKKOBSA-N 2 0 325.456 3.032 20 0 EGADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423142830 309388227 /nfs/dbraw/zinc/38/82/27/309388227.db2.gz BJDBXDRNAIOMTG-GDAAHCPNSA-N 2 0 336.426 3.089 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000423148104 309388310 /nfs/dbraw/zinc/38/83/10/309388310.db2.gz UIMKIRPEMHECPU-MISYRCLQSA-N 2 0 328.500 3.082 20 0 EGADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423157372 309388678 /nfs/dbraw/zinc/38/86/78/309388678.db2.gz ARQHJECUVYUWQU-AUSJPIAWSA-N 2 0 330.447 3.313 20 0 EGADRP Brc1ccc2c(c1)[C@H](N[C@H]1CCC[NH2+]C1)CCS2 ZINC000423184808 309389440 /nfs/dbraw/zinc/38/94/40/309389440.db2.gz IRQNHKCNOCGKAL-WCQYABFASA-N 2 0 327.291 3.328 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423221161 309391184 /nfs/dbraw/zinc/39/11/84/309391184.db2.gz WLHWNVQBSYBHKG-XYJFISCASA-N 2 0 342.487 3.038 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423259786 309392798 /nfs/dbraw/zinc/39/27/98/309392798.db2.gz OWACNNAYNKEDJJ-STQMWFEESA-N 2 0 341.293 3.498 20 0 EGADRP C[C@H](N[C@@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423268552 309393187 /nfs/dbraw/zinc/39/31/87/309393187.db2.gz UUBIGEZXTBPFDF-WMQCIHAUSA-N 2 0 329.532 3.394 20 0 EGADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423273939 309393591 /nfs/dbraw/zinc/39/35/91/309393591.db2.gz LFRWXMYCSXEHHS-HOTGVXAUSA-N 2 0 325.294 3.343 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423280963 309393709 /nfs/dbraw/zinc/39/37/09/309393709.db2.gz VBEMNARVNSRGDR-WMLDXEAASA-N 2 0 332.879 3.142 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423282831 309393935 /nfs/dbraw/zinc/39/39/35/309393935.db2.gz WMCXBRZZPZHRAI-UAGQMJEPSA-N 2 0 337.305 3.414 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000423320281 309394935 /nfs/dbraw/zinc/39/49/35/309394935.db2.gz DKEYQBIZFXEKBY-MBOZVWFJSA-N 2 0 343.515 3.065 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000423318380 309395031 /nfs/dbraw/zinc/39/50/31/309395031.db2.gz KYFIJFYTNZYIHH-LJQANCHMSA-N 2 0 339.483 3.091 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423324113 309395253 /nfs/dbraw/zinc/39/52/53/309395253.db2.gz IITJMFPEHHKHSW-BEFAXECRSA-N 2 0 332.492 3.257 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC000423348470 309396460 /nfs/dbraw/zinc/39/64/60/309396460.db2.gz TXDSRVMPTXZBNW-HBFSDRIKSA-N 2 0 330.472 3.148 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1Br ZINC000423369599 309397356 /nfs/dbraw/zinc/39/73/56/309397356.db2.gz STABSKWQPZRWDG-WCQYABFASA-N 2 0 327.266 3.250 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423371313 309397557 /nfs/dbraw/zinc/39/75/57/309397557.db2.gz FITLARXIYRVLSZ-SGCGGLILSA-N 2 0 341.543 3.407 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423384771 309397945 /nfs/dbraw/zinc/39/79/45/309397945.db2.gz QKTPIUTUWMUVKS-BPAFIMBUSA-N 2 0 325.456 3.104 20 0 EGADRP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423382445 309398020 /nfs/dbraw/zinc/39/80/20/309398020.db2.gz IOBFXEKNHLOLKG-WBMJQRKESA-N 2 0 325.294 3.358 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000423410668 309399099 /nfs/dbraw/zinc/39/90/99/309399099.db2.gz SHLKBLHUTXNFOX-ZDUSSCGKSA-N 2 0 346.393 3.252 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000423472207 309401412 /nfs/dbraw/zinc/40/14/12/309401412.db2.gz MYOHSEQEGJWYIH-MTEHYEEQSA-N 2 0 344.474 3.066 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423518455 309404250 /nfs/dbraw/zinc/40/42/50/309404250.db2.gz UXIZLGUWOCMXGG-JTNHKYCSSA-N 2 0 329.257 3.236 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423742902 309411260 /nfs/dbraw/zinc/41/12/60/309411260.db2.gz LSBUPTYDSBVXBN-RTBURBONSA-N 2 0 331.504 3.004 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423742895 309411361 /nfs/dbraw/zinc/41/13/61/309411361.db2.gz LSBUPTYDSBVXBN-MOPGFXCFSA-N 2 0 331.504 3.004 20 0 EGADRP C[NH+](C)C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423770414 309412093 /nfs/dbraw/zinc/41/20/93/309412093.db2.gz HKJLBXIBEGDIHA-MSOLQXFVSA-N 2 0 345.874 3.149 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000423788247 309412725 /nfs/dbraw/zinc/41/27/25/309412725.db2.gz DBBLSKQCZMJRPO-QGZVFWFLSA-N 2 0 343.515 3.435 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423791227 309412938 /nfs/dbraw/zinc/41/29/38/309412938.db2.gz HFHZAMBWWRQRHK-WOJBJXKFSA-N 2 0 349.563 3.399 20 0 EGADRP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000427306794 309526639 /nfs/dbraw/zinc/52/66/39/309526639.db2.gz DUWRYAXYVPQDLW-GOSISDBHSA-N 2 0 343.515 3.069 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000430572410 309611203 /nfs/dbraw/zinc/61/12/03/309611203.db2.gz JVXAWNWLQDBDHX-CQSZACIVSA-N 2 0 337.895 3.297 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000431734229 309641415 /nfs/dbraw/zinc/64/14/15/309641415.db2.gz VTKGMCYAZCBLIT-SFHVURJKSA-N 2 0 331.504 3.059 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432230068 309655246 /nfs/dbraw/zinc/65/52/46/309655246.db2.gz XIBQBMIHIGORQV-UHFFFAOYSA-N 2 0 348.293 3.248 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCCC[C@H]2c2ccccc2)CC1 ZINC000433126534 309679582 /nfs/dbraw/zinc/67/95/82/309679582.db2.gz OTPOIFJILHXTLG-FQEVSTJZSA-N 2 0 343.515 3.334 20 0 EGADRP CC(C)CCOc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433163568 309680333 /nfs/dbraw/zinc/68/03/33/309680333.db2.gz YGHRVPHWRFIGKK-UHFFFAOYSA-N 2 0 347.503 3.253 20 0 EGADRP CCc1ccccc1CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000444610833 309922829 /nfs/dbraw/zinc/92/28/29/309922829.db2.gz PYXYEUGYYAIHLA-WOJBJXKFSA-N 2 0 343.559 3.282 20 0 EGADRP CSCC1CCC([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000449104558 310037330 /nfs/dbraw/zinc/03/73/30/310037330.db2.gz ACFIYAIERSTVEX-UHFFFAOYSA-N 2 0 339.593 3.056 20 0 EGADRP CC[N@H+](CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(C)C ZINC000449112277 310037993 /nfs/dbraw/zinc/03/79/93/310037993.db2.gz QGXQOEIKFQLKTC-IBGZPJMESA-N 2 0 331.548 3.402 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449132741 310039190 /nfs/dbraw/zinc/03/91/90/310039190.db2.gz WBHGUQCPRKMFGG-GOSISDBHSA-N 2 0 332.488 3.448 20 0 EGADRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449131293 310039228 /nfs/dbraw/zinc/03/92/28/310039228.db2.gz LOQWMBPRUMILNM-UHFFFAOYSA-N 2 0 330.451 3.048 20 0 EGADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000449178177 310042610 /nfs/dbraw/zinc/04/26/10/310042610.db2.gz UNGICSWDXZGRTH-MRXNPFEDSA-N 2 0 329.488 3.040 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(F)c2)CC1 ZINC000449366189 310056791 /nfs/dbraw/zinc/05/67/91/310056791.db2.gz XYPQZUIRZRFYCD-MAODMQOUSA-N 2 0 348.506 3.362 20 0 EGADRP Cn1nccc1[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000449596150 310074655 /nfs/dbraw/zinc/07/46/55/310074655.db2.gz WXOQASODVKNDDA-FXAWDEMLSA-N 2 0 346.519 3.027 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000449747742 310084143 /nfs/dbraw/zinc/08/41/43/310084143.db2.gz YFBAKALKDCFKBB-UHFFFAOYSA-N 2 0 329.532 3.460 20 0 EGADRP Cc1nccn1C[C@H]1CCC[N@@H+]1CCCC(=O)c1ccc(F)cc1 ZINC000450470949 310124515 /nfs/dbraw/zinc/12/45/15/310124515.db2.gz JPNURZKFCDQEAX-GOSISDBHSA-N 2 0 329.419 3.458 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCOc2c(C)cccc2C)CC1 ZINC000451982843 310206438 /nfs/dbraw/zinc/20/64/38/310206438.db2.gz KEZKJTYETOWWHM-UHFFFAOYSA-N 2 0 347.547 3.078 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453052850 310254471 /nfs/dbraw/zinc/25/44/71/310254471.db2.gz DQJFHLFHHVFYJZ-INIZCTEOSA-N 2 0 325.294 3.312 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000453058133 310254796 /nfs/dbraw/zinc/25/47/96/310254796.db2.gz KAIGWVZXNPWJSI-QZTJIDSGSA-N 2 0 338.499 3.429 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ccncn2)cc1 ZINC000453059008 310254965 /nfs/dbraw/zinc/25/49/65/310254965.db2.gz HVNBRUCJXQDDBD-MRXNPFEDSA-N 2 0 328.460 3.048 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000453068227 310255619 /nfs/dbraw/zinc/25/56/19/310255619.db2.gz XZNQZCCVYUBVJQ-MSOLQXFVSA-N 2 0 338.499 3.429 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453136191 310260286 /nfs/dbraw/zinc/26/02/86/310260286.db2.gz HSACPIFHAOSCDH-IIMDRIAPSA-N 2 0 338.499 3.154 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000453137059 310260343 /nfs/dbraw/zinc/26/03/43/310260343.db2.gz HSACPIFHAOSCDH-OKZBNKHCSA-N 2 0 338.499 3.154 20 0 EGADRP CC1CC[NH+](CCC[C@H]([NH2+][C@H]2C[C@@H](O)C2)c2ccc(F)cc2)CC1 ZINC000453376776 310273767 /nfs/dbraw/zinc/27/37/67/310273767.db2.gz UWDVPHBAYARWCF-ZCNNSNEGSA-N 2 0 334.479 3.492 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[NH+]3CCCCCC3)ccc21 ZINC000455876269 310380604 /nfs/dbraw/zinc/38/06/04/310380604.db2.gz BIBTYJKRWVVSCX-LJQANCHMSA-N 2 0 344.503 3.233 20 0 EGADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455905477 310381816 /nfs/dbraw/zinc/38/18/16/310381816.db2.gz HNQSCDYBRZIAAM-IBGZPJMESA-N 2 0 346.519 3.287 20 0 EGADRP FC1(F)CCC(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000459347505 310545850 /nfs/dbraw/zinc/54/58/50/310545850.db2.gz CLJKRPXNGVGMJT-UHFFFAOYSA-N 2 0 330.463 3.389 20 0 EGADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000481250177 310909497 /nfs/dbraw/zinc/90/94/97/310909497.db2.gz BFKFACICNXVOTD-RLLQIKCJSA-N 2 0 344.547 3.384 20 0 EGADRP CCOc1c(Cl)cccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000487311123 311020042 /nfs/dbraw/zinc/02/00/42/311020042.db2.gz RPMHOPRJDSQRFC-UHFFFAOYSA-N 2 0 340.895 3.064 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488358438 311062225 /nfs/dbraw/zinc/06/22/25/311062225.db2.gz XQQUDEXPCOPBIG-GOSISDBHSA-N 2 0 333.451 3.240 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000492694868 311281337 /nfs/dbraw/zinc/28/13/37/311281337.db2.gz FLIAXOJTDDWLNM-ZACQAIPSSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000495077437 311536074 /nfs/dbraw/zinc/53/60/74/311536074.db2.gz FBXLSCVZARARJR-RXVVDRJESA-N 2 0 329.532 3.452 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000495950417 311637529 /nfs/dbraw/zinc/63/75/29/311637529.db2.gz ODSGJTYUNOXQFM-OWCLPIDISA-N 2 0 327.513 3.142 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1OC ZINC000502288416 311962237 /nfs/dbraw/zinc/96/22/37/311962237.db2.gz UPGNCMCODOSQCE-MRXNPFEDSA-N 2 0 334.504 3.265 20 0 EGADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507521209 312075846 /nfs/dbraw/zinc/07/58/46/312075846.db2.gz WHHKEZIOXYTMDB-XDWAVFMPSA-N 2 0 328.500 3.302 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721534 312100692 /nfs/dbraw/zinc/10/06/92/312100692.db2.gz VHRHHDOEBOPNBT-DYXWJJEUSA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000510218923 312135798 /nfs/dbraw/zinc/13/57/98/312135798.db2.gz WJFUCPFQQFKFSR-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000510218922 312136118 /nfs/dbraw/zinc/13/61/18/312136118.db2.gz WJFUCPFQQFKFSR-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP CC[NH+](CC)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631407 312191267 /nfs/dbraw/zinc/19/12/67/312191267.db2.gz QRNHAKMSLHHXBY-PCCBWWKXSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512654214 312191740 /nfs/dbraw/zinc/19/17/40/312191740.db2.gz KFCUVYXOWMGJSQ-WJMWBRGCSA-N 2 0 328.500 3.038 20 0 EGADRP Cc1cccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C ZINC000512672730 312192165 /nfs/dbraw/zinc/19/21/65/312192165.db2.gz KHADSFWEIHCSBH-KDURUIRLSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000514856402 312249668 /nfs/dbraw/zinc/24/96/68/312249668.db2.gz ZFTAJHFSMAJWQK-UTKZUKDTSA-N 2 0 339.483 3.052 20 0 EGADRP COc1cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)ccc1C ZINC000515604195 312290963 /nfs/dbraw/zinc/29/09/63/312290963.db2.gz XKKSHOILAKBBMZ-UHFFFAOYSA-N 2 0 342.483 3.276 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000515777195 312297495 /nfs/dbraw/zinc/29/74/95/312297495.db2.gz YZQOEKNNMXCWJK-GXRSIYKFSA-N 2 0 341.543 3.361 20 0 EGADRP CCc1cccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000517946001 312399226 /nfs/dbraw/zinc/39/92/26/312399226.db2.gz PVOBJBPFMZPWEY-UHFFFAOYSA-N 2 0 327.472 3.264 20 0 EGADRP COc1cccc([C@@H]2C[N@H+](Cc3cnc(N(C)C)n3C)CC2(C)C)c1 ZINC000529642352 313376310 /nfs/dbraw/zinc/37/63/10/313376310.db2.gz VZMBZFGZXYYQJI-SFHVURJKSA-N 2 0 342.487 3.120 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(OC)c1 ZINC000530221717 313499751 /nfs/dbraw/zinc/49/97/51/313499751.db2.gz YBBGBKAHAYUQRK-OCCSQVGLSA-N 2 0 329.444 3.278 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000530240187 313503813 /nfs/dbraw/zinc/50/38/13/313503813.db2.gz AMJURCAKBVQGAA-HXUWFJFHSA-N 2 0 339.483 3.134 20 0 EGADRP Fc1ccc(/C=C/C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000530249362 313505869 /nfs/dbraw/zinc/50/58/69/313505869.db2.gz WQRCOQNKFHKPOM-KROLTMCQSA-N 2 0 336.426 3.069 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537939230 314217854 /nfs/dbraw/zinc/21/78/54/314217854.db2.gz IIZNNKKMQOXRFM-ZFMNYDKASA-N 3 0 329.532 3.217 20 0 EGADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000538197820 314231709 /nfs/dbraw/zinc/23/17/09/314231709.db2.gz RFLSOVZOPUQKOC-FPOVZHCZSA-N 2 0 346.515 3.108 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+]CCCC[NH+]3CCN(C)CC3)oc21 ZINC000538398085 314244290 /nfs/dbraw/zinc/24/42/90/314244290.db2.gz JSQSFDNBRABNRI-INIZCTEOSA-N 2 0 345.487 3.120 20 0 EGADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000538806766 314277162 /nfs/dbraw/zinc/27/71/62/314277162.db2.gz RIGGKBSRAIQIHN-UHFFFAOYSA-N 2 0 331.504 3.240 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000539558247 314320739 /nfs/dbraw/zinc/32/07/39/314320739.db2.gz LYYNAYMJXVLLPH-BLLLJJGKSA-N 2 0 331.287 3.440 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544570615 314703704 /nfs/dbraw/zinc/70/37/04/314703704.db2.gz QXXGKWSLOPOJTA-HINLZNOGSA-N 2 0 333.564 3.207 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000545980964 314799889 /nfs/dbraw/zinc/79/98/89/314799889.db2.gz TUYNIEMYNWOTQQ-UXHICEINSA-N 2 0 344.547 3.033 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000548860825 315056209 /nfs/dbraw/zinc/05/62/09/315056209.db2.gz WOGDEBOUGYUFFG-UXHICEINSA-N 2 0 328.500 3.100 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000550832328 315135836 /nfs/dbraw/zinc/13/58/36/315135836.db2.gz FRCUJSIUNGPRQJ-ZIFCJYIRSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCC[NH+](C)C ZINC000552361567 315216025 /nfs/dbraw/zinc/21/60/25/315216025.db2.gz DMJOUNFNEAVFJQ-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCC[NH+](C)C)cc1 ZINC000552362580 315216141 /nfs/dbraw/zinc/21/61/41/315216141.db2.gz CVDUOZYPNBHNCK-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP Cc1ccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563668506 316053439 /nfs/dbraw/zinc/05/34/39/316053439.db2.gz ADQRSLGXRCPQBN-DLBZAZTESA-N 2 0 326.444 3.009 20 0 EGADRP CC(C)c1[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccn21 ZINC000564217228 316125389 /nfs/dbraw/zinc/12/53/89/316125389.db2.gz DMNLQWCLCIQMII-SJLPKXTDSA-N 2 0 326.488 3.374 20 0 EGADRP c1cn2c(cccc2C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)n1 ZINC000564589130 316171855 /nfs/dbraw/zinc/17/18/55/316171855.db2.gz RJXGKQKKTCANEN-UHFFFAOYSA-N 2 0 344.422 3.080 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](C)[NH2+]C3CC3)ccc21 ZINC000564914389 316232543 /nfs/dbraw/zinc/23/25/43/316232543.db2.gz QEZMPRPJQDACHH-HNNXBMFYSA-N 2 0 342.487 3.062 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565315057 316308666 /nfs/dbraw/zinc/30/86/66/316308666.db2.gz LIBULCGCKCMNGF-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432137 316323887 /nfs/dbraw/zinc/32/38/87/316323887.db2.gz YKPNEAICPIHHHM-INIZCTEOSA-N 2 0 332.410 3.228 20 0 EGADRP Cn1cc([C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC2(C)C)cn1 ZINC000565930260 316389179 /nfs/dbraw/zinc/38/91/79/316389179.db2.gz LKXIKAWAWGEIAR-IBGZPJMESA-N 2 0 335.455 3.231 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000570507509 317065296 /nfs/dbraw/zinc/06/52/96/317065296.db2.gz MSKIGJCYYILMHR-JLTOFOAXSA-N 2 0 349.478 3.454 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000570566922 317074660 /nfs/dbraw/zinc/07/46/60/317074660.db2.gz NJCVBUOVFLBINI-UHFFFAOYSA-N 2 0 339.483 3.016 20 0 EGADRP COC(=O)[C@H](CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000571160758 317159504 /nfs/dbraw/zinc/15/95/04/317159504.db2.gz WGWUWCPNHXCGQJ-HXUWFJFHSA-N 2 0 346.515 3.386 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000571391508 317192381 /nfs/dbraw/zinc/19/23/81/317192381.db2.gz PBYBSUQAEAOJIT-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP COc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000572026803 317281136 /nfs/dbraw/zinc/28/11/36/317281136.db2.gz CGHFFKDSQDBIGR-FPOVZHCZSA-N 2 0 338.451 3.349 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(c2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000572763636 317388276 /nfs/dbraw/zinc/38/82/76/317388276.db2.gz TYBZZLKIXDMJPV-YMISUZCDSA-N 2 0 343.559 3.434 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000171305832 323229196 /nfs/dbraw/zinc/22/91/96/323229196.db2.gz HXLHBJREXBJNQA-CALCHBBNSA-N 2 0 332.488 3.016 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382455185 324250806 /nfs/dbraw/zinc/25/08/06/324250806.db2.gz PYURCHREQPHJIS-DOTOQJQBSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382731084 324252545 /nfs/dbraw/zinc/25/25/45/324252545.db2.gz BAKFVUDVFUGJOX-HKUYNNGSSA-N 2 0 345.531 3.134 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000383659752 324257312 /nfs/dbraw/zinc/25/73/12/324257312.db2.gz LGMHENGYQJHXOF-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)O1 ZINC000383747911 324257793 /nfs/dbraw/zinc/25/77/93/324257793.db2.gz ZCVISPXQAVXIOW-UAFMIMERSA-N 2 0 328.500 3.444 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(C2CCC2)cc1)N1CC[NH+](C)CC1 ZINC000578483288 324974787 /nfs/dbraw/zinc/97/47/87/324974787.db2.gz MYKOMZJUAKQGJJ-OAQYLSRUSA-N 2 0 329.532 3.316 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[NH+](C)C)cc1 ZINC000578675981 325002503 /nfs/dbraw/zinc/00/25/03/325002503.db2.gz NJXDYKLFNVBXAC-RTBURBONSA-N 2 0 333.520 3.088 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ncc(-c3ccc(F)cc3)o1)CC[NH2+]CC2 ZINC000579462454 325113162 /nfs/dbraw/zinc/11/31/62/325113162.db2.gz YXGZFKZAVIHVCW-CQSZACIVSA-N 2 0 329.419 3.445 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C1 ZINC000579495125 325119118 /nfs/dbraw/zinc/11/91/18/325119118.db2.gz NUNBBJMXHWKOMK-OLZOCXBDSA-N 2 0 336.277 3.332 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OC1CCCC1 ZINC000580049633 325195791 /nfs/dbraw/zinc/19/57/91/325195791.db2.gz GRLOPKOAINWSHR-RDJZCZTQSA-N 2 0 332.488 3.494 20 0 EGADRP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580483498 325256248 /nfs/dbraw/zinc/25/62/48/325256248.db2.gz HVUQEHUKMVHVNS-LJQANCHMSA-N 2 0 338.499 3.344 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000581601863 325375371 /nfs/dbraw/zinc/37/53/71/325375371.db2.gz OCIHOZQLPAIHPT-QGZVFWFLSA-N 2 0 346.515 3.264 20 0 EGADRP CC[C@]1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCC[NH2+]1 ZINC000581827339 325391965 /nfs/dbraw/zinc/39/19/65/325391965.db2.gz NAFLGTNFVGEVBQ-YLJYHZDGSA-N 2 0 335.536 3.022 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000581894677 325397370 /nfs/dbraw/zinc/39/73/70/325397370.db2.gz BNLNFFSXNMQMGI-IKGGRYGDSA-N 2 0 341.421 3.139 20 0 EGADRP c1ccc(OCCCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000189658142 455228211 /nfs/dbraw/zinc/22/82/11/455228211.db2.gz UCOUODDQTXRADI-UHFFFAOYSA-N 2 0 346.515 3.280 20 0 EGADRP Fc1ccc(CNCc2cnc3n2CCCC3)c(Br)c1 ZINC000376769177 458387269 /nfs/dbraw/zinc/38/72/69/458387269.db2.gz QGJMRJYEJWCJMM-UHFFFAOYSA-N 2 0 338.224 3.411 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180793180 455246363 /nfs/dbraw/zinc/24/63/63/455246363.db2.gz OEOJOHCDSUKZBM-QGZVFWFLSA-N 2 0 343.471 3.188 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575267 455334419 /nfs/dbraw/zinc/33/44/19/455334419.db2.gz HPSHPEBCRNMBCB-BHDDXSALSA-N 2 0 341.543 3.457 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081631219 453898307 /nfs/dbraw/zinc/89/83/07/453898307.db2.gz GBFZBOBPPFJWDH-MRXNPFEDSA-N 2 0 349.906 3.332 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc[nH]c3)CC2)c1 ZINC000086249955 454045409 /nfs/dbraw/zinc/04/54/09/454045409.db2.gz OJXFHLHXKLYFNJ-UHFFFAOYSA-N 2 0 326.488 3.015 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000056529656 454065323 /nfs/dbraw/zinc/06/53/23/454065323.db2.gz LVZONFFQRLIIEN-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP COC[C@@H](Cc1ccccc1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215038 454127209 /nfs/dbraw/zinc/12/72/09/454127209.db2.gz QESAEVUPAMXWBG-HXUWFJFHSA-N 2 0 339.483 3.145 20 0 EGADRP c1sc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccncc1 ZINC000089669111 454175413 /nfs/dbraw/zinc/17/54/13/454175413.db2.gz QVOLFPDIGBJKLE-IAGOWNOFSA-N 2 0 342.512 3.354 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000060368468 454282817 /nfs/dbraw/zinc/28/28/17/454282817.db2.gz OPEPKKXBBMGAQZ-KDURUIRLSA-N 2 0 330.516 3.440 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234846 454296592 /nfs/dbraw/zinc/29/65/92/454296592.db2.gz ITQQGKVKPYCQIC-NFAWXSAZSA-N 2 0 330.394 3.446 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000078678647 454298107 /nfs/dbraw/zinc/29/81/07/454298107.db2.gz KHVCFZDUDIDIRU-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090936912 454351385 /nfs/dbraw/zinc/35/13/85/454351385.db2.gz LJDKFODUJBFBDA-MGPUTAFESA-N 2 0 325.456 3.045 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000120985075 454374236 /nfs/dbraw/zinc/37/42/36/454374236.db2.gz MCNKHCGYVXYWQM-HUUCEWRRSA-N 2 0 343.437 3.240 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000121035498 454381793 /nfs/dbraw/zinc/38/17/93/454381793.db2.gz DIIHIFWHUXNZAT-NQIIRXRSSA-N 2 0 329.532 3.491 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000121246884 454409938 /nfs/dbraw/zinc/40/99/38/454409938.db2.gz VFGRHEJOCXHZCI-OAQYLSRUSA-N 2 0 346.515 3.107 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285483 454423323 /nfs/dbraw/zinc/42/33/23/454423323.db2.gz RTSBEMNKTXYEQU-FXAWDEMLSA-N 2 0 333.520 3.008 20 0 EGADRP CCc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091320453 454425929 /nfs/dbraw/zinc/42/59/29/454425929.db2.gz MQFVMJOKOIYWOC-GHTZIAJQSA-N 2 0 331.548 3.419 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000133638500 454449957 /nfs/dbraw/zinc/44/99/57/454449957.db2.gz BCXTUSIMQMMGNE-UMVBOHGHSA-N 2 0 330.394 3.403 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000121603017 454456633 /nfs/dbraw/zinc/45/66/33/454456633.db2.gz XTWFADLYVORPNK-UHFFFAOYSA-N 2 0 339.483 3.442 20 0 EGADRP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000091686659 454457872 /nfs/dbraw/zinc/45/78/72/454457872.db2.gz PTHSUGJFUZRNPP-YOEHRIQHSA-N 2 0 325.884 3.356 20 0 EGADRP Clc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000064344452 454475290 /nfs/dbraw/zinc/47/52/90/454475290.db2.gz UZIFCXCLWYAFHH-UHFFFAOYSA-N 2 0 328.909 3.336 20 0 EGADRP COCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066279 454512127 /nfs/dbraw/zinc/51/21/27/454512127.db2.gz ZQEPRWLBBGKUJU-WIYYLYMNSA-N 2 0 344.499 3.161 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000134563900 454560736 /nfs/dbraw/zinc/56/07/36/454560736.db2.gz NDJKXXIUBMSGEX-UWJYYQICSA-N 2 0 343.515 3.209 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+]Cc1csc(Br)c1 ZINC000105443092 454639277 /nfs/dbraw/zinc/63/92/77/454639277.db2.gz UZXWGRXSAXQDNB-SNVBAGLBSA-N 2 0 328.279 3.441 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccccc1 ZINC000123967817 454691084 /nfs/dbraw/zinc/69/10/84/454691084.db2.gz PCZYXVUPCTVPBR-VQIMIIECSA-N 2 0 343.515 3.106 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)[C@H](C)C1 ZINC000152659589 454708085 /nfs/dbraw/zinc/70/80/85/454708085.db2.gz NMINDMZBJUNVNR-XLIONFOSSA-N 2 0 346.515 3.063 20 0 EGADRP Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000161621148 454708821 /nfs/dbraw/zinc/70/88/21/454708821.db2.gz MUBAZZKLOQKLPV-UHFFFAOYSA-N 2 0 341.293 3.087 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(C)ccc1OC ZINC000093397585 454710995 /nfs/dbraw/zinc/71/09/95/454710995.db2.gz HVULDGSGQVBKEL-LJQANCHMSA-N 2 0 333.520 3.072 20 0 EGADRP CCOc1ccccc1[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007033 460650525 /nfs/dbraw/zinc/65/05/25/460650525.db2.gz DCNPOZPLGMDHNY-OAHLLOKOSA-N 2 0 326.444 3.063 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124486482 454739803 /nfs/dbraw/zinc/73/98/03/454739803.db2.gz KMFCUZBSTBHIDW-GOSISDBHSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000153255969 454775716 /nfs/dbraw/zinc/77/57/16/454775716.db2.gz CHEQFLVWPQEIPH-BBWFWOEESA-N 2 0 347.503 3.217 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000162573325 454784782 /nfs/dbraw/zinc/78/47/82/454784782.db2.gz OKADCHFYPWXLIT-KRWDZBQOSA-N 2 0 327.472 3.235 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000138082897 454788491 /nfs/dbraw/zinc/78/84/91/454788491.db2.gz IRFWHKFXWPWZEU-ROUUACIJSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000635010568 460654658 /nfs/dbraw/zinc/65/46/58/460654658.db2.gz KIBLYSYKESUCIW-DZGCQCFKSA-N 2 0 329.488 3.345 20 0 EGADRP CN(C[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000153393360 454789250 /nfs/dbraw/zinc/78/92/50/454789250.db2.gz XVDQHIDRLUYFJY-QGZVFWFLSA-N 2 0 339.524 3.051 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000162647294 454790349 /nfs/dbraw/zinc/79/03/49/454790349.db2.gz DVHNCKXPKDNTRC-CBGDNZLLSA-N 2 0 346.515 3.201 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000162883471 454806742 /nfs/dbraw/zinc/80/67/42/454806742.db2.gz UXMMSQITDOFVAN-UHFFFAOYSA-N 2 0 338.455 3.243 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000125307772 454813427 /nfs/dbraw/zinc/81/34/27/454813427.db2.gz XANKOWVIUBTAFS-OAHLLOKOSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000163032614 454818333 /nfs/dbraw/zinc/81/83/33/454818333.db2.gz RYVMYWNGOSKCAO-FGTMMUONSA-N 2 0 339.593 3.056 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000125431182 454821577 /nfs/dbraw/zinc/82/15/77/454821577.db2.gz MGHXQBIZGXAKSW-KRWDZBQOSA-N 2 0 326.488 3.314 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC000153709292 454823799 /nfs/dbraw/zinc/82/37/99/454823799.db2.gz ZETGZOCGVPFBNU-OAQYLSRUSA-N 2 0 341.543 3.300 20 0 EGADRP C[C@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000163260499 454834424 /nfs/dbraw/zinc/83/44/24/454834424.db2.gz PDFWAEPOSAEXBH-LCLWPZTBSA-N 2 0 327.516 3.254 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)CC(C)C ZINC000164407214 454881312 /nfs/dbraw/zinc/88/13/12/454881312.db2.gz JHLLYGCBMLCTJK-WDSOQIARSA-N 2 0 333.520 3.195 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000164559487 454884248 /nfs/dbraw/zinc/88/42/48/454884248.db2.gz KVBVHURTMPAFGU-MSOLQXFVSA-N 2 0 329.488 3.375 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000164606669 454886139 /nfs/dbraw/zinc/88/61/39/454886139.db2.gz NUECUSDUTCWCLV-UXHICEINSA-N 2 0 345.531 3.441 20 0 EGADRP CCC[C@H](NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150810231 454895553 /nfs/dbraw/zinc/89/55/53/454895553.db2.gz NJYUCROPDSKEOB-QUCCMNQESA-N 2 0 343.515 3.062 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000165199053 454895759 /nfs/dbraw/zinc/89/57/59/454895759.db2.gz PKNICJSMYRUREI-SFHVURJKSA-N 2 0 334.504 3.453 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000166052915 454907537 /nfs/dbraw/zinc/90/75/37/454907537.db2.gz VDIDPKVBDUXTTM-CZUORRHYSA-N 2 0 343.309 3.457 20 0 EGADRP CCOc1c(Cl)cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126661746 454909666 /nfs/dbraw/zinc/90/96/66/454909666.db2.gz LCFFDSYMIDHFOW-LSDHHAIUSA-N 2 0 338.879 3.464 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CN1C1CC1 ZINC000166316042 454911065 /nfs/dbraw/zinc/91/10/65/454911065.db2.gz CGALNZVALMOMKP-ANZKDXPISA-N 2 0 339.483 3.034 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2C)[C@H](C)C1 ZINC000166885519 454916175 /nfs/dbraw/zinc/91/61/75/454916175.db2.gz DRFAARHYGATEGQ-XLIONFOSSA-N 2 0 336.495 3.403 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150961225 454918810 /nfs/dbraw/zinc/91/88/10/454918810.db2.gz HBEQCGMITLSGKI-INIZCTEOSA-N 2 0 329.488 3.418 20 0 EGADRP CCC(CC)(CNC(=O)C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000168761002 454928010 /nfs/dbraw/zinc/92/80/10/454928010.db2.gz DGEYDYAAWANRCI-FUHWJXTLSA-N 2 0 331.504 3.154 20 0 EGADRP Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c(C[NH+](C)C)c1 ZINC000113912423 454938129 /nfs/dbraw/zinc/93/81/29/454938129.db2.gz HMUNEFXNDUVWDS-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc21 ZINC000178469792 454955985 /nfs/dbraw/zinc/95/59/85/454955985.db2.gz DJVQLWZJIYVJCP-UZLBHIALSA-N 2 0 328.500 3.500 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000155061003 454958773 /nfs/dbraw/zinc/95/87/73/454958773.db2.gz KGODOHXWDQUZNY-AABGKKOBSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155065850 454959576 /nfs/dbraw/zinc/95/95/76/454959576.db2.gz DCQWDFKWUNQQIX-ZIAGYGMSSA-N 2 0 338.565 3.036 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000178779956 454976746 /nfs/dbraw/zinc/97/67/46/454976746.db2.gz KMIPYSHHIFSFGI-SFHVURJKSA-N 2 0 333.520 3.154 20 0 EGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178954786 454993698 /nfs/dbraw/zinc/99/36/98/454993698.db2.gz DECWWMSTUYZVEK-HUUCEWRRSA-N 2 0 328.378 3.301 20 0 EGADRP OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC1CC[NH2+]CC1 ZINC000178964046 454994246 /nfs/dbraw/zinc/99/42/46/454994246.db2.gz HGMKQWQGXWJYCK-UHFFFAOYSA-N 2 0 331.287 3.177 20 0 EGADRP Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000267094921 455501046 /nfs/dbraw/zinc/50/10/46/455501046.db2.gz XYMRWZXQHQRBNT-OAQYLSRUSA-N 2 0 340.442 3.435 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000171127260 455033782 /nfs/dbraw/zinc/03/37/82/455033782.db2.gz JIJDHYANNJKWEF-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCCO2 ZINC000128558915 455067575 /nfs/dbraw/zinc/06/75/75/455067575.db2.gz COZHEMVAMUAIDA-FQEVSTJZSA-N 2 0 345.531 3.134 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156068085 455078208 /nfs/dbraw/zinc/07/82/08/455078208.db2.gz ZQBHAXGZQUDLRW-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2cccs2)n1 ZINC000179827021 455086074 /nfs/dbraw/zinc/08/60/74/455086074.db2.gz DMYOGEAXHVGKCZ-UHFFFAOYSA-N 2 0 332.517 3.312 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000152481365 455125780 /nfs/dbraw/zinc/12/57/80/455125780.db2.gz DOAILKOSDVHMHN-GOEBONIOSA-N 2 0 342.462 3.455 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc3c2OC(C)(C)C3)C[C@@H](C)O1 ZINC000237403211 455182088 /nfs/dbraw/zinc/18/20/88/455182088.db2.gz HKHXDWJBZQLEHS-IAGOWNOFSA-N 2 0 346.515 3.379 20 0 EGADRP C[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237508548 455189855 /nfs/dbraw/zinc/18/98/55/455189855.db2.gz JPDLICLPMGZVGW-HLNWXESRSA-N 2 0 345.531 3.197 20 0 EGADRP C[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237497103 455190452 /nfs/dbraw/zinc/19/04/52/455190452.db2.gz RLIXJPPIPBIJLG-JENIJYKNSA-N 2 0 331.504 3.093 20 0 EGADRP Cc1nc(C)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000182961006 455199604 /nfs/dbraw/zinc/19/96/04/455199604.db2.gz NRRKKALRAWPFKC-UHFFFAOYSA-N 2 0 337.533 3.084 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000237707001 455209938 /nfs/dbraw/zinc/20/99/38/455209938.db2.gz VIHIBBUZHJPDHK-PZJWPPBQSA-N 2 0 329.532 3.363 20 0 EGADRP CC(C)OC1CC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000189515515 455212602 /nfs/dbraw/zinc/21/26/02/455212602.db2.gz UEQVXSPVXWXSMQ-FBIZOPLVSA-N 2 0 346.515 3.341 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)NC2CC[NH+](C(C)C)CC2)c1 ZINC000173619384 455316995 /nfs/dbraw/zinc/31/69/95/455316995.db2.gz ZICUWHPZJFKHIV-AWEZNQCLSA-N 2 0 335.517 3.198 20 0 EGADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158971845 455341707 /nfs/dbraw/zinc/34/17/07/455341707.db2.gz ATXKODODGAVGKS-IRXDYDNUSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000181744901 455377863 /nfs/dbraw/zinc/37/78/63/455377863.db2.gz BAVXAPHSVQFMPB-IEBWSBKVSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245868140 455388832 /nfs/dbraw/zinc/38/88/32/455388832.db2.gz KKJMRQZIUZATRW-IXDOHACOSA-N 2 0 339.524 3.142 20 0 EGADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000245932437 455402640 /nfs/dbraw/zinc/40/26/40/455402640.db2.gz SPNTZOGOPRKIPL-BHIYHBOVSA-N 2 0 338.536 3.061 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1n1ccnc1 ZINC000246196773 455446224 /nfs/dbraw/zinc/44/62/24/455446224.db2.gz LQDLNOQNUTYUAH-KBXCAEBGSA-N 2 0 339.418 3.495 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000182267308 455476449 /nfs/dbraw/zinc/47/64/49/455476449.db2.gz KNTYBRSABASAHA-PMACEKPBSA-N 2 0 339.483 3.279 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000247018795 455544850 /nfs/dbraw/zinc/54/48/50/455544850.db2.gz LRSAFFAMMSSSHL-AZUAARDMSA-N 2 0 334.504 3.100 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192073984 455552893 /nfs/dbraw/zinc/55/28/93/455552893.db2.gz GZELTQJUKYRTCJ-MJGOQNOKSA-N 2 0 348.531 3.449 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)[C@@H](C)C1 ZINC000247055972 455553251 /nfs/dbraw/zinc/55/32/51/455553251.db2.gz NMINDMZBJUNVNR-FXAWDEMLSA-N 2 0 346.515 3.063 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247127491 455564408 /nfs/dbraw/zinc/56/44/08/455564408.db2.gz RNEWWALFUONOAF-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000247177880 455568955 /nfs/dbraw/zinc/56/89/55/455568955.db2.gz VBMUHAPVMUYNML-KZNAEPCWSA-N 2 0 341.503 3.286 20 0 EGADRP C[C@H]1C[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000271317072 455596201 /nfs/dbraw/zinc/59/62/01/455596201.db2.gz CVHYNXGUEROCIH-ZWKOTPCHSA-N 2 0 345.531 3.122 20 0 EGADRP C[C@H]([NH2+]CCC(=O)OCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185716744 455605243 /nfs/dbraw/zinc/60/52/43/455605243.db2.gz XLDUBQFHESVQAE-PKOBYXMFSA-N 2 0 344.499 3.363 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000268174343 455609740 /nfs/dbraw/zinc/60/97/40/455609740.db2.gz VJWYAYXENHYEGR-UHFFFAOYSA-N 2 0 349.544 3.337 20 0 EGADRP CC(C)CO[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000247670688 455636271 /nfs/dbraw/zinc/63/62/71/455636271.db2.gz QVNZTUWBIIZXPT-OWZKRDHZSA-N 2 0 340.552 3.116 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000271450944 455641629 /nfs/dbraw/zinc/64/16/29/455641629.db2.gz DPMJEPFJLZTFGB-NJDAHSKKSA-N 2 0 328.500 3.340 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc2c(c1)CCC2 ZINC000271520854 455670897 /nfs/dbraw/zinc/67/08/97/455670897.db2.gz PORSUSBZDJLNKE-ONGXBYRLSA-N 2 0 328.500 3.204 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248025861 455672128 /nfs/dbraw/zinc/67/21/28/455672128.db2.gz OZZGCGKUYLXBBK-WHSLLNHNSA-N 2 0 340.515 3.367 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000192788134 455693666 /nfs/dbraw/zinc/69/36/66/455693666.db2.gz JSSWRTWXSKLEKP-UHFFFAOYSA-N 2 0 335.923 3.335 20 0 EGADRP COc1ccsc1[C@H](C)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000186114593 455696401 /nfs/dbraw/zinc/69/64/01/455696401.db2.gz WSSDRXFFJOTVDR-HNNXBMFYSA-N 2 0 346.496 3.440 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268892358 455720994 /nfs/dbraw/zinc/72/09/94/455720994.db2.gz PGTBBJVXYGKSSV-RTBURBONSA-N 2 0 345.531 3.294 20 0 EGADRP C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268908346 455727127 /nfs/dbraw/zinc/72/71/27/455727127.db2.gz HIJZTEZAOHNTBE-QGZVFWFLSA-N 2 0 334.504 3.220 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCC4OCCCO4)CC[C@H]32)cc1 ZINC000268975824 455750456 /nfs/dbraw/zinc/75/04/56/455750456.db2.gz JDBKGKSEYKCGSN-WOJBJXKFSA-N 2 0 344.499 3.126 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000268980514 455751643 /nfs/dbraw/zinc/75/16/43/455751643.db2.gz KNVSBMJNYNMAEA-MRXNPFEDSA-N 2 0 330.497 3.325 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000268983909 455752481 /nfs/dbraw/zinc/75/24/81/455752481.db2.gz PRZANEUUQHZIKS-HOJAQTOUSA-N 2 0 347.572 3.066 20 0 EGADRP Cc1cc(NC[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000284883045 455756316 /nfs/dbraw/zinc/75/63/16/455756316.db2.gz NKNZXRDYCUKYII-HNAYVOBHSA-N 2 0 325.460 3.151 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)OC(C)C ZINC000186378714 455756632 /nfs/dbraw/zinc/75/66/32/455756632.db2.gz XGECIARYQNGERZ-HBXLWWENSA-N 2 0 334.504 3.480 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000269021941 455765462 /nfs/dbraw/zinc/76/54/62/455765462.db2.gz PWLYGTYCMBFTRM-OLZOCXBDSA-N 2 0 345.409 3.352 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(C)o1 ZINC000278213570 455787632 /nfs/dbraw/zinc/78/76/32/455787632.db2.gz IFDGNINHGVMCFT-QGZVFWFLSA-N 2 0 341.499 3.495 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000186598507 455801857 /nfs/dbraw/zinc/80/18/57/455801857.db2.gz ALWDTMPDBMDGRS-KBXCAEBGSA-N 2 0 325.447 3.032 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N2CCCOC2=O)cc1 ZINC000296267035 455895839 /nfs/dbraw/zinc/89/58/39/455895839.db2.gz DMKFJWKMHSZALM-DJXYKJKZSA-N 2 0 343.471 3.309 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000272324521 455914429 /nfs/dbraw/zinc/91/44/29/455914429.db2.gz UYSYAEIVAQFECK-YZGWKJHDSA-N 2 0 345.531 3.134 20 0 EGADRP FC(F)(F)c1cccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000261715170 455933201 /nfs/dbraw/zinc/93/32/01/455933201.db2.gz QCFUMVOLOPRVAV-OAHLLOKOSA-N 2 0 341.421 3.217 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261745239 455939932 /nfs/dbraw/zinc/93/99/32/455939932.db2.gz PQFJCGRRRIMIBW-IERDGZPVSA-N 2 0 337.467 3.351 20 0 EGADRP C[C@@]1(C[NH3+])CCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000261757331 455942125 /nfs/dbraw/zinc/94/21/25/455942125.db2.gz QRYAKDGXKATTAJ-IBGZPJMESA-N 2 0 345.874 3.485 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(F)c1 ZINC000187742338 455946866 /nfs/dbraw/zinc/94/68/66/455946866.db2.gz IGSQVHJSCXAKRX-LJQANCHMSA-N 2 0 342.462 3.213 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000261790110 455948597 /nfs/dbraw/zinc/94/85/97/455948597.db2.gz KXQIAWRMMPWUMJ-GDBMZVCRSA-N 2 0 337.533 3.012 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187756459 455949071 /nfs/dbraw/zinc/94/90/71/455949071.db2.gz FDDVVAIZSRKZII-WRQOLXDDSA-N 2 0 339.524 3.093 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000261835072 455956034 /nfs/dbraw/zinc/95/60/34/455956034.db2.gz UMUSBXJXGVPDON-SZVBFZGTSA-N 2 0 329.488 3.232 20 0 EGADRP [NH3+]C1(c2noc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)CCCC1 ZINC000261901586 455968364 /nfs/dbraw/zinc/96/83/64/455968364.db2.gz YPIPHQVJHCJGRG-HNNXBMFYSA-N 2 0 344.434 3.316 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000195526830 455979839 /nfs/dbraw/zinc/97/98/39/455979839.db2.gz ZCVHOYCBWXYCMF-KSZLIROESA-N 2 0 343.515 3.160 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000188109932 455999647 /nfs/dbraw/zinc/99/96/47/455999647.db2.gz VRGDKHIXHXYVMB-TZIWHRDSSA-N 2 0 329.532 3.112 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1ccc(F)cc1 ZINC000272592887 456006666 /nfs/dbraw/zinc/00/66/66/456006666.db2.gz SHTMIYFURWLJCP-CQSZACIVSA-N 2 0 345.466 3.097 20 0 EGADRP COc1c(O)cccc1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272612922 456013629 /nfs/dbraw/zinc/01/36/29/456013629.db2.gz KSYSOSBDPIMHFC-LPHOPBHVSA-N 2 0 340.467 3.401 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262315227 456024159 /nfs/dbraw/zinc/02/41/59/456024159.db2.gz ZNIZDJUJJQWZRT-HXUWFJFHSA-N 2 0 339.483 3.153 20 0 EGADRP COC(=O)c1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000296747663 456028077 /nfs/dbraw/zinc/02/80/77/456028077.db2.gz PLQKDXIRZYQVMC-SFHVURJKSA-N 2 0 336.863 3.044 20 0 EGADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000216436495 456029990 /nfs/dbraw/zinc/02/99/90/456029990.db2.gz JJQPTJQBANJINI-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000262666029 456052134 /nfs/dbraw/zinc/05/21/34/456052134.db2.gz KDMDKCGTDOJITB-IRXDYDNUSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cn2ccnc12 ZINC000296869680 456056937 /nfs/dbraw/zinc/05/69/37/456056937.db2.gz LRHSPKJMVGHQJJ-UHFFFAOYSA-N 2 0 343.475 3.228 20 0 EGADRP C[C@@H]([NH2+]CCOc1ncccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272810956 456076719 /nfs/dbraw/zinc/07/67/19/456076719.db2.gz NKKNEMPTJJWKDS-AEFFLSMTSA-N 2 0 343.446 3.100 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cc21 ZINC000263222128 456112334 /nfs/dbraw/zinc/11/23/34/456112334.db2.gz MASKNZRKIKPUTI-XLIONFOSSA-N 2 0 342.487 3.049 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCO[C@@H]2CCOC2)CC1 ZINC000281035097 456116416 /nfs/dbraw/zinc/11/64/16/456116416.db2.gz PNMVOLYBBHTXFA-XVAXZDLZSA-N 2 0 346.515 3.215 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000289861400 456159356 /nfs/dbraw/zinc/15/93/56/456159356.db2.gz VXYGMLXINUVFQZ-IBGZPJMESA-N 2 0 336.520 3.306 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236682873 456168475 /nfs/dbraw/zinc/16/84/75/456168475.db2.gz XJMWPKODDFNDIW-DFQSSKMNSA-N 2 0 345.531 3.195 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236684762 456168778 /nfs/dbraw/zinc/16/87/78/456168778.db2.gz KZEVHNRPUCPTBN-QGZVFWFLSA-N 2 0 345.531 3.300 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273138663 456190479 /nfs/dbraw/zinc/19/04/79/456190479.db2.gz DJSGPZFQZGJGDG-LPHOPBHVSA-N 2 0 347.547 3.236 20 0 EGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCCCC1 ZINC000236903100 456199019 /nfs/dbraw/zinc/19/90/19/456199019.db2.gz AHFCPSRBMNKKHU-IBGZPJMESA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC(C)(C)C ZINC000263718946 456200803 /nfs/dbraw/zinc/20/08/03/456200803.db2.gz AXYQOINDKGCWJO-QGZVFWFLSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000273186289 456206295 /nfs/dbraw/zinc/20/62/95/456206295.db2.gz GAGGMJFQFQFBNX-BVOGOJNSSA-N 2 0 330.516 3.428 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000236994745 456216453 /nfs/dbraw/zinc/21/64/53/456216453.db2.gz BQKYGRIMRFHPGV-KRWDZBQOSA-N 2 0 331.504 3.036 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCOCC(F)F)CC1 ZINC000189068231 456217085 /nfs/dbraw/zinc/21/70/85/456217085.db2.gz AOAXEELIGSVAJP-UHFFFAOYSA-N 2 0 326.431 3.112 20 0 EGADRP CC1(C)C[C@H]([NH2+]C/C=C/C[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000189230026 456259554 /nfs/dbraw/zinc/25/95/54/456259554.db2.gz FLPPOOGRAYGVRU-IGXNXKSNSA-N 2 0 338.536 3.414 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@]1(C)CCCO1 ZINC000340200491 456310074 /nfs/dbraw/zinc/31/00/74/456310074.db2.gz WAPBQPDTDOFFFM-IIMDRIAPSA-N 2 0 346.515 3.343 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C[C@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000342924131 456317404 /nfs/dbraw/zinc/31/74/04/456317404.db2.gz CVFWBXNFRGIYGP-NJYVYQBISA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H](O)c1ncc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290471388 456337397 /nfs/dbraw/zinc/33/73/97/456337397.db2.gz UTUBDTIDGHNACI-YQQAZPJKSA-N 2 0 345.512 3.197 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)CC1 ZINC000290484532 456340925 /nfs/dbraw/zinc/34/09/25/456340925.db2.gz OEBNQVILGIOKEU-INIZCTEOSA-N 2 0 344.528 3.437 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744125 456343791 /nfs/dbraw/zinc/34/37/91/456343791.db2.gz RJQQORZSXRWWCV-GHTZIAJQSA-N 2 0 329.532 3.348 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000340276534 456356153 /nfs/dbraw/zinc/35/61/53/456356153.db2.gz GGXYSTUQIUJZKK-UXLLHSPISA-N 2 0 330.463 3.243 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000290540003 456357567 /nfs/dbraw/zinc/35/75/67/456357567.db2.gz ZTSNPYRADVYCIN-IBGZPJMESA-N 2 0 325.456 3.189 20 0 EGADRP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000302624294 456367032 /nfs/dbraw/zinc/36/70/32/456367032.db2.gz FDAZNVHLLBAELX-HNNXBMFYSA-N 2 0 330.451 3.059 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352854657 456367142 /nfs/dbraw/zinc/36/71/42/456367142.db2.gz RECOXAJMVYHQCQ-ZDUSSCGKSA-N 2 0 336.423 3.093 20 0 EGADRP CCN(CC)[C@@H](C[NH2+][C@H]1CN(CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051768 456372290 /nfs/dbraw/zinc/37/22/90/456372290.db2.gz SDLRLNPYXPGHAV-VDGAXYAQSA-N 2 0 333.520 3.008 20 0 EGADRP CSc1ccccc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000281973459 456377575 /nfs/dbraw/zinc/37/75/75/456377575.db2.gz HAKSQFQEPNUPAC-UHFFFAOYSA-N 2 0 335.561 3.256 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340350019 456406840 /nfs/dbraw/zinc/40/68/40/456406840.db2.gz KUYSLCWUGSEWKG-PMACEKPBSA-N 2 0 328.500 3.456 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H]1SC ZINC000298269733 456411128 /nfs/dbraw/zinc/41/11/28/456411128.db2.gz GFLSOZNYDYVMPW-VNTMZGSJSA-N 2 0 348.556 3.050 20 0 EGADRP CCc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000276307485 456440905 /nfs/dbraw/zinc/44/09/05/456440905.db2.gz YCASGSLTUWNYFL-UHFFFAOYSA-N 2 0 329.532 3.239 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000290858826 456449344 /nfs/dbraw/zinc/44/93/44/456449344.db2.gz KHPQOYAORRJJOV-MNZLEMJZSA-N 2 0 349.482 3.204 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 ZINC000298470147 456466670 /nfs/dbraw/zinc/46/66/70/456466670.db2.gz REQQOFIWURBETG-CYBMUJFWSA-N 2 0 342.487 3.463 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc[nH]c(=O)c1 ZINC000340448851 456468427 /nfs/dbraw/zinc/46/84/27/456468427.db2.gz PVKNWYHPLGGOMZ-KCUHQSDYSA-N 2 0 337.467 3.348 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCC1 ZINC000290943925 456474326 /nfs/dbraw/zinc/47/43/26/456474326.db2.gz UIKCRAFUSUKUEP-UHFFFAOYSA-N 2 0 334.529 3.019 20 0 EGADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340519222 456505724 /nfs/dbraw/zinc/50/57/24/456505724.db2.gz VIYCLXWCDZIVBC-DLBZAZTESA-N 2 0 346.544 3.270 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC000282498956 456533466 /nfs/dbraw/zinc/53/34/66/456533466.db2.gz YAELPRAJJNNSMI-RTBURBONSA-N 2 0 333.495 3.077 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000340592424 456553315 /nfs/dbraw/zinc/55/33/15/456553315.db2.gz CCTXFAOQIZSPGM-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000291187937 456559329 /nfs/dbraw/zinc/55/93/29/456559329.db2.gz LEFWKLJOYSKUEW-CYBMUJFWSA-N 2 0 349.475 3.057 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000305877008 456564769 /nfs/dbraw/zinc/56/47/69/456564769.db2.gz FTWBHEXHHVNVEX-DOTOQJQBSA-N 2 0 339.524 3.238 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000305877015 456565146 /nfs/dbraw/zinc/56/51/46/456565146.db2.gz FTWBHEXHHVNVEX-WBVHZDCISA-N 2 0 339.524 3.238 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000353265709 456598049 /nfs/dbraw/zinc/59/80/49/456598049.db2.gz ANNSNAFWUJWHLO-OXQOHEQNSA-N 2 0 345.531 3.033 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000337993701 456642834 /nfs/dbraw/zinc/64/28/34/456642834.db2.gz SPCOEKDYQBREOT-SFTDATJTSA-N 2 0 347.522 3.442 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853766 456646682 /nfs/dbraw/zinc/64/66/82/456646682.db2.gz TVKCZIINEGPQMD-WIYYLYMNSA-N 2 0 338.499 3.312 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(-n2ccnn2)c1 ZINC000348395951 456663799 /nfs/dbraw/zinc/66/37/99/456663799.db2.gz LTNPKAMOFYAABE-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000325095002 456677929 /nfs/dbraw/zinc/67/79/29/456677929.db2.gz RENJFQRONOILKF-LJQANCHMSA-N 2 0 331.504 3.047 20 0 EGADRP [NH3+][C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000353434622 456697489 /nfs/dbraw/zinc/69/74/89/456697489.db2.gz CKMJGHVQARLSRS-HXUWFJFHSA-N 2 0 337.467 3.354 20 0 EGADRP CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1 ZINC000299474179 456703854 /nfs/dbraw/zinc/70/38/54/456703854.db2.gz WMPMMJAWZHOFRM-IBGZPJMESA-N 2 0 348.535 3.053 20 0 EGADRP C[C@@H](c1ccc(F)cc1F)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343771663 456772213 /nfs/dbraw/zinc/77/22/13/456772213.db2.gz RGGBMGAIEPYELD-GJZGRUSLSA-N 2 0 337.458 3.126 20 0 EGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000338424559 456811458 /nfs/dbraw/zinc/81/14/58/456811458.db2.gz YARMNTADZNTXKN-UHFFFAOYSA-N 2 0 349.482 3.236 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969400 456814305 /nfs/dbraw/zinc/81/43/05/456814305.db2.gz RYXNYDIPMPWCJQ-UAGQMJEPSA-N 2 0 342.405 3.155 20 0 EGADRP COC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000353665430 456842337 /nfs/dbraw/zinc/84/23/37/456842337.db2.gz ZDXWLYMLXGBDDP-INIZCTEOSA-N 2 0 344.471 3.069 20 0 EGADRP Cc1cc(NCC2CC[NH+](Cc3cccs3)CC2)nc(C2CC2)n1 ZINC000341514561 456873123 /nfs/dbraw/zinc/87/31/23/456873123.db2.gz MMUCQYNNYLKFBF-UHFFFAOYSA-N 2 0 342.512 3.470 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189244 456880374 /nfs/dbraw/zinc/88/03/74/456880374.db2.gz RERYFJSWBLHRHX-GOSISDBHSA-N 2 0 331.460 3.477 20 0 EGADRP CCc1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000339015476 456901817 /nfs/dbraw/zinc/90/18/17/456901817.db2.gz XKUXEIRROYBBHB-QZTJIDSGSA-N 2 0 345.531 3.355 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](C)Sc2sccc21 ZINC000349375848 456956261 /nfs/dbraw/zinc/95/62/61/456956261.db2.gz DJTQHCCRWVVQPF-IIAWOOMASA-N 2 0 339.574 3.289 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000349468079 456973807 /nfs/dbraw/zinc/97/38/07/456973807.db2.gz YEKSKGRBBPATIY-UZLBHIALSA-N 2 0 333.520 3.292 20 0 EGADRP O=C(C1CC[NH+](C2CC2)CC1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000345764931 456992081 /nfs/dbraw/zinc/99/20/81/456992081.db2.gz LNNHWKGBHWMPHV-UHFFFAOYSA-N 2 0 347.547 3.118 20 0 EGADRP CCc1nocc1C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000339211608 456994258 /nfs/dbraw/zinc/99/42/58/456994258.db2.gz DNLQQYBTKNCCEC-UHFFFAOYSA-N 2 0 343.471 3.247 20 0 EGADRP CC[C@H](C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)[NH+](CC)CC ZINC000345871081 457003115 /nfs/dbraw/zinc/00/31/15/457003115.db2.gz CIVMYGXVFBUHGA-LJQANCHMSA-N 2 0 333.520 3.217 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2sccc2c1 ZINC000349702180 457020283 /nfs/dbraw/zinc/02/02/83/457020283.db2.gz MPILWKYQGWYAOU-UHFFFAOYSA-N 2 0 347.528 3.247 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000346318142 457031265 /nfs/dbraw/zinc/03/12/65/457031265.db2.gz VXJAFISLTXNMSE-UHFFFAOYSA-N 2 0 340.471 3.433 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccccc1C[NH+](C)C ZINC000362734698 457068799 /nfs/dbraw/zinc/06/87/99/457068799.db2.gz GYTKSUZNCXCZJD-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000346608223 457075812 /nfs/dbraw/zinc/07/58/12/457075812.db2.gz CNTSWDSTOULYME-IYBDPMFKSA-N 2 0 342.487 3.014 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[NH+](C2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000354287313 457174456 /nfs/dbraw/zinc/17/44/56/457174456.db2.gz ZQYGHWYYFDYCQG-AZUAARDMSA-N 2 0 343.515 3.030 20 0 EGADRP OCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000356901834 457208515 /nfs/dbraw/zinc/20/85/15/457208515.db2.gz PYJITEAZPIEGKJ-YCHQTSKFSA-N 2 0 328.500 3.038 20 0 EGADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357039913 457292615 /nfs/dbraw/zinc/29/26/15/457292615.db2.gz BJQYRSXCNRVOTN-TZIWHRDSSA-N 2 0 344.499 3.066 20 0 EGADRP c1cnc(Oc2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)cn1 ZINC000357059532 457302277 /nfs/dbraw/zinc/30/22/77/457302277.db2.gz XIGDJINVRZQUQP-SFHVURJKSA-N 2 0 338.455 3.090 20 0 EGADRP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OC(C)C ZINC000357060940 457303629 /nfs/dbraw/zinc/30/36/29/457303629.db2.gz YTJWGDWVNOQNHT-GOSISDBHSA-N 2 0 332.488 3.304 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1Cl ZINC000342574678 457374141 /nfs/dbraw/zinc/37/41/41/457374141.db2.gz JKFIOVSFBCXDFM-CQSZACIVSA-N 2 0 328.884 3.356 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000363656426 457400681 /nfs/dbraw/zinc/40/06/81/457400681.db2.gz LUBZUBXCUZTSMF-VQTJNVASSA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCc2nccn21)c1ccsc1 ZINC000352486735 457407325 /nfs/dbraw/zinc/40/73/25/457407325.db2.gz VITHQDSDNBQLFZ-CVEARBPZSA-N 2 0 346.500 3.021 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000352489184 457408736 /nfs/dbraw/zinc/40/87/36/457408736.db2.gz YNMFFEVNIMQTSJ-LJQANCHMSA-N 2 0 325.456 3.364 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000387657849 457431652 /nfs/dbraw/zinc/43/16/52/457431652.db2.gz MJCQUAZOHSGBSE-RTBURBONSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@H](c1ccccc1Cl)N(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000390112961 457434844 /nfs/dbraw/zinc/43/48/44/457434844.db2.gz UUDFFXBVSAQNTF-CCKFTAQKSA-N 2 0 332.875 3.264 20 0 EGADRP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352536064 457446581 /nfs/dbraw/zinc/44/65/81/457446581.db2.gz YWPIMXXNWJXGGR-UHFFFAOYSA-N 2 0 341.503 3.225 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCCC2)N1CC[NH+](C)CC1 ZINC000392915721 457462747 /nfs/dbraw/zinc/46/27/47/457462747.db2.gz VGJZYSNTQPTDRZ-GCJKJVERSA-N 2 0 343.559 3.488 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000352555665 457464559 /nfs/dbraw/zinc/46/45/59/457464559.db2.gz PQGFUCQJAFLLGS-SFHVURJKSA-N 2 0 331.435 3.402 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000369965724 457482153 /nfs/dbraw/zinc/48/21/53/457482153.db2.gz ZYWIONJOUOHSFF-ICSRJNTNSA-N 2 0 343.515 3.028 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000425412795 457540863 /nfs/dbraw/zinc/54/08/63/457540863.db2.gz CDUQVKDGOXJIRY-NZSAHSFTSA-N 2 0 332.488 3.138 20 0 EGADRP COC(=O)[C@H](CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422884 457548749 /nfs/dbraw/zinc/54/87/49/457548749.db2.gz SUVXTEOMZXYBHU-VQTJNVASSA-N 2 0 344.499 3.284 20 0 EGADRP Cc1[nH+]ccc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1Cl ZINC000352747346 457579349 /nfs/dbraw/zinc/57/93/49/457579349.db2.gz BRHGXNSUENGNMT-ZIAGYGMSSA-N 2 0 337.895 3.369 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000374327845 457587740 /nfs/dbraw/zinc/58/77/40/457587740.db2.gz RSIKJYADAYALKF-HXUWFJFHSA-N 2 0 347.572 3.193 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000425943288 457656656 /nfs/dbraw/zinc/65/66/56/457656656.db2.gz QETMKARUZOFBKR-HZPDHXFCSA-N 2 0 334.508 3.409 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000374579135 457665372 /nfs/dbraw/zinc/66/53/72/457665372.db2.gz XDFLHWXYGYDFON-KCUHQSDYSA-N 2 0 346.515 3.481 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000357742610 457675083 /nfs/dbraw/zinc/67/50/83/457675083.db2.gz LMPHVTUOFZGMRB-IEBWSBKVSA-N 2 0 348.535 3.017 20 0 EGADRP Cc1cccc(C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)c1 ZINC000370633863 457687167 /nfs/dbraw/zinc/68/71/67/457687167.db2.gz IZMIVYDOROVDOT-IRLDBZIGSA-N 2 0 341.543 3.074 20 0 EGADRP C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000357820737 457701729 /nfs/dbraw/zinc/70/17/29/457701729.db2.gz FBRITYFXNFBIOR-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP CO[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000370705836 457703817 /nfs/dbraw/zinc/70/38/17/457703817.db2.gz JORSLNOJPOGJCM-HXUWFJFHSA-N 2 0 345.531 3.218 20 0 EGADRP CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912516 457732190 /nfs/dbraw/zinc/73/21/90/457732190.db2.gz XSZACTNBURYAHA-QAPCUYQASA-N 2 0 349.906 3.109 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000433112795 457760473 /nfs/dbraw/zinc/76/04/73/457760473.db2.gz AMOQMLFJKVBJOC-GOSISDBHSA-N 2 0 349.906 3.207 20 0 EGADRP CC1CCC(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000443606499 457785782 /nfs/dbraw/zinc/78/57/82/457785782.db2.gz XYSIWZBRABWLAK-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000426302033 457803405 /nfs/dbraw/zinc/80/34/05/457803405.db2.gz GVVJJLRXPHOKNX-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP [NH3+]CC1(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCCCC1 ZINC000361610031 457804431 /nfs/dbraw/zinc/80/44/31/457804431.db2.gz LHWDFLLDCZGFEA-UHFFFAOYSA-N 2 0 335.536 3.057 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1O ZINC000426362346 457812064 /nfs/dbraw/zinc/81/20/64/457812064.db2.gz QVVAZUASOMAWIH-INIZCTEOSA-N 2 0 334.504 3.434 20 0 EGADRP CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411223554 457834206 /nfs/dbraw/zinc/83/42/06/457834206.db2.gz OQKIJUDBXHLDQT-HXUWFJFHSA-N 2 0 343.515 3.163 20 0 EGADRP COC[C@@H]1CCC[NH+](CCC(C)CC[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000411261607 457845029 /nfs/dbraw/zinc/84/50/29/457845029.db2.gz ATGSNNRTVMMVMB-WOJBJXKFSA-N 2 0 340.552 3.120 20 0 EGADRP Cc1nccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000366582978 457860228 /nfs/dbraw/zinc/86/02/28/457860228.db2.gz OSXZQLDBCUTRKY-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP OC1(C(F)F)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411568991 457921567 /nfs/dbraw/zinc/92/15/67/457921567.db2.gz LFHWKDDWXPTZIL-UHFFFAOYSA-N 2 0 338.442 3.265 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328439 457936916 /nfs/dbraw/zinc/93/69/16/457936916.db2.gz LTVLCPZDJJFEQT-XWDORNJCSA-N 2 0 346.515 3.242 20 0 EGADRP COc1cc(F)c([C@H](C)[NH2+]CCCNc2ccccn2)cc1OC ZINC000361931637 457962226 /nfs/dbraw/zinc/96/22/26/457962226.db2.gz XLMOORYREKHBKP-ZDUSSCGKSA-N 2 0 333.407 3.391 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)cc1)C1CC1 ZINC000358385835 457969397 /nfs/dbraw/zinc/96/93/97/457969397.db2.gz PAOBPHDLVOKUCM-INIZCTEOSA-N 2 0 341.499 3.051 20 0 EGADRP CCCCOCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000427677121 458020893 /nfs/dbraw/zinc/02/08/93/458020893.db2.gz FAMFTXDZPGBTSZ-ROUUACIJSA-N 2 0 326.525 3.014 20 0 EGADRP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445411553 458046834 /nfs/dbraw/zinc/04/68/34/458046834.db2.gz KQGJVHOQWCWOOT-FGSXEWAUSA-N 2 0 341.543 3.194 20 0 EGADRP O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]2C1 ZINC000412040680 458059959 /nfs/dbraw/zinc/05/99/59/458059959.db2.gz ISWSHXCTRMOODA-QHAWAJNXSA-N 2 0 328.500 3.265 20 0 EGADRP O[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]2C1 ZINC000412044937 458065297 /nfs/dbraw/zinc/06/52/97/458065297.db2.gz MFUCXVMBKAKNHT-QHAWAJNXSA-N 2 0 328.500 3.265 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C[N@@H+]1C1CC1 ZINC000412179085 458118318 /nfs/dbraw/zinc/11/83/18/458118318.db2.gz UJVWVHBDTCEIBY-LPHOPBHVSA-N 2 0 341.499 3.028 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000375906097 458119317 /nfs/dbraw/zinc/11/93/17/458119317.db2.gz OFVVMSWNHMDOBB-PZJWPPBQSA-N 2 0 327.516 3.164 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000358687482 458151663 /nfs/dbraw/zinc/15/16/63/458151663.db2.gz TXNFCLJEBYSZRU-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC000376017931 458164721 /nfs/dbraw/zinc/16/47/21/458164721.db2.gz GSASUXVXSPRLST-NUWOQIAWSA-N 2 0 339.524 3.285 20 0 EGADRP Cc1cccc(OCCN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435628415 458176006 /nfs/dbraw/zinc/17/60/06/458176006.db2.gz QQLJOUVTPJGJDS-FQEVSTJZSA-N 2 0 339.483 3.413 20 0 EGADRP CCN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435628442 458176482 /nfs/dbraw/zinc/17/64/82/458176482.db2.gz QUVULMNGIBAENF-ZDUSSCGKSA-N 2 0 344.286 3.396 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412417410 458197990 /nfs/dbraw/zinc/19/79/90/458197990.db2.gz KOHOBEYELSLEFH-GOSISDBHSA-N 2 0 343.515 3.134 20 0 EGADRP CCC(CC)[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[NH+](C)C ZINC000446588486 458202776 /nfs/dbraw/zinc/20/27/76/458202776.db2.gz ZLRXAWBNXNPBSC-LJQANCHMSA-N 2 0 348.535 3.279 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428860512 458223965 /nfs/dbraw/zinc/22/39/65/458223965.db2.gz LQORWRZEOFQAQE-GFCCVEGCSA-N 2 0 336.423 3.093 20 0 EGADRP CCOc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000362502610 458224524 /nfs/dbraw/zinc/22/45/24/458224524.db2.gz MNPGKIXNAOXJPP-AEFFLSMTSA-N 2 0 347.503 3.219 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)CC1 ZINC000372199649 458229789 /nfs/dbraw/zinc/22/97/89/458229789.db2.gz ICHZXEQPKVALJX-PZJWPPBQSA-N 2 0 345.506 3.303 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000376325553 458267328 /nfs/dbraw/zinc/26/73/28/458267328.db2.gz RPVFOAMPEPKHFJ-IRXDYDNUSA-N 2 0 331.504 3.012 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H]1SC ZINC000459396579 458358276 /nfs/dbraw/zinc/35/82/76/458358276.db2.gz QHMVZKUTQJZWRE-XUVXKRRUSA-N 2 0 348.556 3.397 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459456239 458377592 /nfs/dbraw/zinc/37/75/92/458377592.db2.gz ZJFFNHMUQJPEOO-RBUKOAKNSA-N 2 0 336.907 3.240 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459463965 458379544 /nfs/dbraw/zinc/37/95/44/458379544.db2.gz HTRHWIDMMLRZAY-HDICACEKSA-N 3 0 344.547 3.397 20 0 EGADRP COc1ccccc1-n1nccc1CNCC1(C[NH+](C)C)CCCC1 ZINC000430013219 458390085 /nfs/dbraw/zinc/39/00/85/458390085.db2.gz OOZUXBGTFQZUSJ-UHFFFAOYSA-N 2 0 342.487 3.093 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc2c(c1)CCCC2)C1CC[NH+](C)CC1 ZINC000430086140 458399071 /nfs/dbraw/zinc/39/90/71/458399071.db2.gz QADRUCOAJNJQMF-UHFFFAOYSA-N 2 0 329.532 3.023 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423461531 458436177 /nfs/dbraw/zinc/43/61/77/458436177.db2.gz SWIBXOLONWMFPE-RISCZKNCSA-N 2 0 327.266 3.380 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000423461996 458436590 /nfs/dbraw/zinc/43/65/90/458436590.db2.gz DDVWWOKRIWOIEZ-UMNHJUIQSA-N 2 0 330.245 3.151 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000423466029 458436793 /nfs/dbraw/zinc/43/67/93/458436793.db2.gz SCUMUFFXYBDYJH-OBJOEFQTSA-N 2 0 328.403 3.465 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423481425 458439922 /nfs/dbraw/zinc/43/99/22/458439922.db2.gz WNGJUNWGOGIKIY-RLLQIKCJSA-N 3 0 329.532 3.189 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423481424 458440073 /nfs/dbraw/zinc/44/00/73/458440073.db2.gz WNGJUNWGOGIKIY-MISYRCLQSA-N 3 0 329.532 3.189 20 0 EGADRP COc1cc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000423485478 458441091 /nfs/dbraw/zinc/44/10/91/458441091.db2.gz RRTVIFSBYQXKBE-JSGCOSHPSA-N 2 0 328.403 3.479 20 0 EGADRP CSc1ccccc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505562 458445690 /nfs/dbraw/zinc/44/56/90/458445690.db2.gz HECJKRGPIZKPMH-KLAILNCOSA-N 2 0 333.545 3.276 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CO2 ZINC000423506009 458445906 /nfs/dbraw/zinc/44/59/06/458445906.db2.gz IGGYWXOJNJDJPO-PKOBYXMFSA-N 2 0 326.440 3.069 20 0 EGADRP CCOC[C@H]1CCCC[NH+]1CC(C)C[N@H+]1CCCC[C@@H]1COCC ZINC000459698442 458450132 /nfs/dbraw/zinc/45/01/32/458450132.db2.gz CBURQVVLMKEKQY-WOJBJXKFSA-N 2 0 340.552 3.405 20 0 EGADRP NC1(C[NH2+][C@@H](C2CC2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423532995 458454118 /nfs/dbraw/zinc/45/41/18/458454118.db2.gz WFTURBIEMMSCQT-HXUWFJFHSA-N 2 0 327.516 3.148 20 0 EGADRP Cc1cncc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423541329 458454776 /nfs/dbraw/zinc/45/47/76/458454776.db2.gz AQURPIHWXZELGX-GOSISDBHSA-N 2 0 338.499 3.034 20 0 EGADRP Fc1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000423538376 458455039 /nfs/dbraw/zinc/45/50/39/458455039.db2.gz MQEJRVIDFXHDHN-LJQANCHMSA-N 2 0 329.394 3.349 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1OC(F)F ZINC000423539448 458455084 /nfs/dbraw/zinc/45/50/84/458455084.db2.gz IGASPCLBAUWWDG-ZJQBRPOHSA-N 2 0 328.378 3.466 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCO[C@H]2C2CC2)C3)cc1 ZINC000377077289 458456390 /nfs/dbraw/zinc/45/63/90/458456390.db2.gz KEBQJGCZIHNARG-SSTJLMRISA-N 2 0 326.484 3.339 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000459721746 458457244 /nfs/dbraw/zinc/45/72/44/458457244.db2.gz ASZYUDHMJSXLRZ-INIZCTEOSA-N 2 0 332.488 3.463 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Br)c2F)C1 ZINC000459732513 458460781 /nfs/dbraw/zinc/46/07/81/458460781.db2.gz GBNOQDKXMNZWHW-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459780940 458477681 /nfs/dbraw/zinc/47/76/81/458477681.db2.gz LZZFAESXHBPNRH-SJORKVTESA-N 2 0 331.504 3.288 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459780937 458477945 /nfs/dbraw/zinc/47/79/45/458477945.db2.gz LZZFAESXHBPNRH-DLBZAZTESA-N 2 0 331.504 3.288 20 0 EGADRP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000423737386 458478007 /nfs/dbraw/zinc/47/80/07/458478007.db2.gz AOJZCEHUTNYSIQ-APWZRJJASA-N 2 0 331.504 3.045 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000459794407 458480863 /nfs/dbraw/zinc/48/08/63/458480863.db2.gz UPNIEDPUGJAKLE-NRSPTQNISA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000423770932 458481550 /nfs/dbraw/zinc/48/15/50/458481550.db2.gz IKVQUKIQKLFOBG-UGSOOPFHSA-N 2 0 345.874 3.392 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CC[C@H]3CC[NH2+]C3)c2)CC1 ZINC000423834261 458493851 /nfs/dbraw/zinc/49/38/51/458493851.db2.gz CIZIUXBKZJMBIK-IBGZPJMESA-N 2 0 343.515 3.289 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CC3(C[NH3+])CC3)c2)CC1 ZINC000423838012 458494449 /nfs/dbraw/zinc/49/44/49/458494449.db2.gz HDNNCENIBBPTTJ-UHFFFAOYSA-N 2 0 329.488 3.029 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423854310 458498401 /nfs/dbraw/zinc/49/84/01/458498401.db2.gz VSFQLYILTYGFDQ-VQTJNVASSA-N 2 0 343.515 3.288 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437845158 458501559 /nfs/dbraw/zinc/50/15/59/458501559.db2.gz WCVVONUKFIXVLU-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP Fc1cccc(Br)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430923721 458506101 /nfs/dbraw/zinc/50/61/01/458506101.db2.gz GHHPNDNFEMXGRR-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000430954615 458509649 /nfs/dbraw/zinc/50/96/49/458509649.db2.gz XFDZMEAHUBKVPA-UHFFFAOYSA-N 2 0 325.456 3.100 20 0 EGADRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(SC)cc1OC ZINC000430967090 458510846 /nfs/dbraw/zinc/51/08/46/458510846.db2.gz QPURHUPNDMGQHN-UHFFFAOYSA-N 2 0 336.501 3.001 20 0 EGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000423937603 458516297 /nfs/dbraw/zinc/51/62/97/458516297.db2.gz HHFDWYYXBAGCDB-PMACEKPBSA-N 2 0 339.483 3.058 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021717 458517322 /nfs/dbraw/zinc/51/73/22/458517322.db2.gz AYTIQWIJIRTOSN-INIZCTEOSA-N 2 0 343.515 3.214 20 0 EGADRP CCC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CC[NH2+]CC1 ZINC000431080598 458526664 /nfs/dbraw/zinc/52/66/64/458526664.db2.gz BKXOFCWSAITLSZ-UHFFFAOYSA-N 2 0 348.878 3.397 20 0 EGADRP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000431080156 458526755 /nfs/dbraw/zinc/52/67/55/458526755.db2.gz LDIMOQAFNFEEJR-INIZCTEOSA-N 2 0 348.466 3.492 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)n1 ZINC000431101248 458530249 /nfs/dbraw/zinc/53/02/49/458530249.db2.gz YSBQSJHQJYEGJT-UHFFFAOYSA-N 2 0 346.450 3.390 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000469309722 458565040 /nfs/dbraw/zinc/56/50/40/458565040.db2.gz OQNJYPDTPIPCOL-VQTJNVASSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424145405 458570102 /nfs/dbraw/zinc/57/01/02/458570102.db2.gz NMFUNEXKBLYLES-RBUKOAKNSA-N 2 0 337.552 3.255 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)CC[C@@H]21 ZINC000424171850 458576432 /nfs/dbraw/zinc/57/64/32/458576432.db2.gz LKLIKJSRMOUCGH-QRVBRYPASA-N 2 0 335.536 3.007 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3OC2)[C@H](C)C1 ZINC000493895500 458595366 /nfs/dbraw/zinc/59/53/66/458595366.db2.gz XMLQATNTQXCKQJ-HOJAQTOUSA-N 2 0 346.515 3.107 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431721503 458613040 /nfs/dbraw/zinc/61/30/40/458613040.db2.gz DPAIETZPDYMAAB-GGPKGHCWSA-N 2 0 345.531 3.164 20 0 EGADRP CCOc1cc2[nH+]ccc(N[C@@H](C)CC[NH+](C)C)c2cc1OCC ZINC000462382247 458615237 /nfs/dbraw/zinc/61/52/37/458615237.db2.gz XXYWLVOMISCYPJ-AWEZNQCLSA-N 2 0 331.460 3.206 20 0 EGADRP c1ccc(C(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2)cc1 ZINC000462386732 458616998 /nfs/dbraw/zinc/61/69/98/458616998.db2.gz GPANBBKXRVNXLR-QFIPXVFZSA-N 2 0 336.479 3.478 20 0 EGADRP Cc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(-c2cnn(C)c2)c1 ZINC000424377019 458629336 /nfs/dbraw/zinc/62/93/36/458629336.db2.gz LNPADLAPDMBABH-QGZVFWFLSA-N 2 0 338.499 3.360 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(O)c1Br)CC[NH2+]CC2 ZINC000424376212 458629367 /nfs/dbraw/zinc/62/93/67/458629367.db2.gz KMCPLKDZDLDLIF-GFCCVEGCSA-N 2 0 339.277 3.119 20 0 EGADRP Cc1nn2c(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)c(C(C)C)nc2s1 ZINC000424382816 458629883 /nfs/dbraw/zinc/62/98/83/458629883.db2.gz SXJSPERSNVRBIC-ZDUSSCGKSA-N 2 0 347.532 3.187 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000424432472 458643132 /nfs/dbraw/zinc/64/31/32/458643132.db2.gz HNUZNBDEZXFPEO-LJQANCHMSA-N 2 0 340.471 3.187 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424438861 458644304 /nfs/dbraw/zinc/64/43/04/458644304.db2.gz QRRSFPZKANTSOH-MJGOQNOKSA-N 2 0 346.519 3.476 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000494647425 458718397 /nfs/dbraw/zinc/71/83/97/458718397.db2.gz MAIMIVXVBQTKIR-WOJBJXKFSA-N 2 0 343.515 3.108 20 0 EGADRP COc1ccc2ccccc2c1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432367535 458724421 /nfs/dbraw/zinc/72/44/21/458724421.db2.gz HLRHECXUOHETLC-QGZVFWFLSA-N 2 0 342.483 3.439 20 0 EGADRP CCCc1noc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852372 458742794 /nfs/dbraw/zinc/74/27/94/458742794.db2.gz VSQUNAUADVGBIF-ZWKOTPCHSA-N 2 0 342.487 3.194 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000473302176 458824343 /nfs/dbraw/zinc/82/43/43/458824343.db2.gz MSNAELMOQLTTAI-FQEVSTJZSA-N 2 0 345.531 3.242 20 0 EGADRP CC(C)[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000474152204 458864810 /nfs/dbraw/zinc/86/48/10/458864810.db2.gz SWYQKIJGDFELMT-NRFANRHFSA-N 2 0 330.516 3.470 20 0 EGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000474709924 458898126 /nfs/dbraw/zinc/89/81/26/458898126.db2.gz FTNKUAUWCLEZMP-PZJWPPBQSA-N 2 0 346.515 3.456 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3COc4ccccc4C3)C2)cc1 ZINC000556075666 458926115 /nfs/dbraw/zinc/92/61/15/458926115.db2.gz BVGTXNZEVJOSIC-TZIWHRDSSA-N 2 0 336.479 3.144 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000566433745 458931616 /nfs/dbraw/zinc/93/16/16/458931616.db2.gz VMIVDJKBIXOFLX-YLJYHZDGSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000566469363 458942643 /nfs/dbraw/zinc/94/26/43/458942643.db2.gz CZPUVWYMLFYXJE-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2OC)[C@H](C)C1 ZINC000531689500 458961561 /nfs/dbraw/zinc/96/15/61/458961561.db2.gz KTCVOYCWVKGVFL-QUCCMNQESA-N 2 0 348.531 3.273 20 0 EGADRP Cc1cnccc1CC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000566617404 458971310 /nfs/dbraw/zinc/97/13/10/458971310.db2.gz NYCFTBQGLZXDFM-ZDUSSCGKSA-N 2 0 326.375 3.472 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000495863819 458982421 /nfs/dbraw/zinc/98/24/21/458982421.db2.gz FTDFXIUFUMHRRP-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000495879551 458990561 /nfs/dbraw/zinc/99/05/61/458990561.db2.gz VRGOZRKGZCWANY-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP Clc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000531968935 459009458 /nfs/dbraw/zinc/00/94/58/459009458.db2.gz JKYMNAJBXBUYMT-LIRRHRJNSA-N 2 0 334.891 3.418 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3C)CC1)C2 ZINC000532202526 459046020 /nfs/dbraw/zinc/04/60/20/459046020.db2.gz IGIWYFOKQNARMR-MFMILTCTSA-N 2 0 342.531 3.275 20 0 EGADRP CCC[C@H](CCc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879455 459050409 /nfs/dbraw/zinc/05/04/09/459050409.db2.gz WHBNRCTXLKPOKJ-HXUWFJFHSA-N 2 0 331.548 3.404 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]C2CCC(c3ccccc3)CC2)CC1(C)C ZINC000442888968 459055256 /nfs/dbraw/zinc/05/52/56/459055256.db2.gz IIEBSCBJILOKSU-UHFFFAOYSA-N 2 0 329.532 3.328 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000496082955 459060942 /nfs/dbraw/zinc/06/09/42/459060942.db2.gz MVKILRUTLWLQEI-LJQANCHMSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477921958 459066399 /nfs/dbraw/zinc/06/63/99/459066399.db2.gz XTKSHPOYBZKVCN-MRXNPFEDSA-N 2 0 332.488 3.448 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000443055262 459078389 /nfs/dbraw/zinc/07/83/89/459078389.db2.gz BADNQFBPBMPYJS-UTKZUKDTSA-N 2 0 343.515 3.095 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2(CN3CCOCC3)CCCCC2)ccn1 ZINC000567296165 459081005 /nfs/dbraw/zinc/08/10/05/459081005.db2.gz CTJBBUWTEZIJOH-QGZVFWFLSA-N 2 0 347.503 3.024 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442420 459087834 /nfs/dbraw/zinc/08/78/34/459087834.db2.gz JCWPTAXBSURXTG-HZPDHXFCSA-N 2 0 329.488 3.486 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000478395451 459087899 /nfs/dbraw/zinc/08/78/99/459087899.db2.gz BHDQDWKHMGPSKX-UXHICEINSA-N 2 0 345.531 3.103 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000532442768 459089026 /nfs/dbraw/zinc/08/90/26/459089026.db2.gz PUGVTFVQOABYRV-OAHLLOKOSA-N 2 0 337.467 3.484 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000496284134 459136068 /nfs/dbraw/zinc/13/60/68/459136068.db2.gz NNPBXGZAXWSYQM-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c1 ZINC000578126645 459150240 /nfs/dbraw/zinc/15/02/40/459150240.db2.gz MTYASSCCLCJFJM-OXQOHEQNSA-N 2 0 337.467 3.189 20 0 EGADRP Fc1cc(Br)ccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567870529 459182135 /nfs/dbraw/zinc/18/21/35/459182135.db2.gz FZPMUGRZRVVOIK-CYBMUJFWSA-N 2 0 341.268 3.410 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000558652619 459189067 /nfs/dbraw/zinc/18/90/67/459189067.db2.gz WSHMFQBNNVLZEP-UHFFFAOYSA-N 2 0 329.532 3.461 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000578412133 459196060 /nfs/dbraw/zinc/19/60/60/459196060.db2.gz JVHVHGGWJIRDTB-NEPJUHHUSA-N 2 0 337.265 3.336 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCC[C@@H](C)C1 ZINC000480625093 459209467 /nfs/dbraw/zinc/20/94/67/459209467.db2.gz MOHCHGOESDQMMW-GUDVDZBRSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000558800412 459213172 /nfs/dbraw/zinc/21/31/72/459213172.db2.gz LMSMCRYRSAHNJM-UHFFFAOYSA-N 2 0 341.499 3.141 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000590787173 459219232 /nfs/dbraw/zinc/21/92/32/459219232.db2.gz TTYPJMHDXRAKDJ-UHFFFAOYSA-N 2 0 336.451 3.244 20 0 EGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000590812634 459231306 /nfs/dbraw/zinc/23/13/06/459231306.db2.gz BRDITBFCZLIBFD-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000590818985 459231758 /nfs/dbraw/zinc/23/17/58/459231758.db2.gz OVLYUZNSDFDYHK-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(C[NH+]1CCC(n2ccnc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000533485131 459242289 /nfs/dbraw/zinc/24/22/89/459242289.db2.gz WNKVNSQVIXZREE-UHFFFAOYSA-N 2 0 327.472 3.306 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H](CC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC000595094691 459243406 /nfs/dbraw/zinc/24/34/06/459243406.db2.gz HHRGJXACWTYXJE-INIZCTEOSA-N 2 0 326.525 3.454 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000559257674 459245819 /nfs/dbraw/zinc/24/58/19/459245819.db2.gz LQAUJKJEDSNTLL-TZMCWYRMSA-N 2 0 325.294 3.236 20 0 EGADRP CC(C)c1[nH+]c(CN2CCN(Cc3ccncc3)CC2)c2ccccn21 ZINC000559928384 459285706 /nfs/dbraw/zinc/28/57/06/459285706.db2.gz OEURCDOPZFHQGY-UHFFFAOYSA-N 2 0 349.482 3.171 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000582026471 459293343 /nfs/dbraw/zinc/29/33/43/459293343.db2.gz JDQVBQGSGGVJHC-OXJNMPFZSA-N 2 0 340.515 3.161 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)cc1 ZINC000523455778 459305831 /nfs/dbraw/zinc/30/58/31/459305831.db2.gz KVVCJNPGFQICTP-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000496781693 459323168 /nfs/dbraw/zinc/32/31/68/459323168.db2.gz OGRYVXPNPLTPLP-JKSUJKDBSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000496781690 459323348 /nfs/dbraw/zinc/32/33/48/459323348.db2.gz OGRYVXPNPLTPLP-CVEARBPZSA-N 2 0 327.513 3.001 20 0 EGADRP C[N@H+](CCCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496787827 459324817 /nfs/dbraw/zinc/32/48/17/459324817.db2.gz WFNBEYPGXZRTDL-MRXNPFEDSA-N 2 0 339.524 3.240 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482944698 459331843 /nfs/dbraw/zinc/33/18/43/459331843.db2.gz HHESCWFJXWIJLA-GHTZIAJQSA-N 2 0 329.532 3.492 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497041076 459415443 /nfs/dbraw/zinc/41/54/43/459415443.db2.gz YYSUONPBJVXVPO-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000569248420 459421401 /nfs/dbraw/zinc/42/14/01/459421401.db2.gz OUZHNYCCJBOWGU-UHFFFAOYSA-N 2 0 339.483 3.307 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000582837109 459436573 /nfs/dbraw/zinc/43/65/73/459436573.db2.gz HMQCJZVZFFPORP-LJQANCHMSA-N 2 0 338.923 3.296 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000561476029 459456328 /nfs/dbraw/zinc/45/63/28/459456328.db2.gz HRRPDYZNGUMGDJ-ZSXPUABSSA-N 2 0 329.532 3.184 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccc(C(F)(F)F)s1)CC[NH+](C)C ZINC000569742550 459502955 /nfs/dbraw/zinc/50/29/55/459502955.db2.gz VBQKWJJJAJQNKL-UHFFFAOYSA-N 2 0 337.455 3.082 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C[C@H]1C ZINC000596093650 459517312 /nfs/dbraw/zinc/51/73/12/459517312.db2.gz CUHMZBXPXTYAIU-OQIJWPOYSA-N 2 0 336.520 3.066 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497317571 459526831 /nfs/dbraw/zinc/52/68/31/459526831.db2.gz YJQIKPRTLJGXKM-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)Cc1ncc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000583369313 459527340 /nfs/dbraw/zinc/52/73/40/459527340.db2.gz QBEUVBZZFBVSOB-AEFFLSMTSA-N 2 0 337.533 3.060 20 0 EGADRP Cc1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccn1 ZINC000527532947 459657416 /nfs/dbraw/zinc/65/74/16/459657416.db2.gz FIZOQNZJRRECNY-QZTJIDSGSA-N 2 0 331.504 3.101 20 0 EGADRP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000562836214 459657716 /nfs/dbraw/zinc/65/77/16/459657716.db2.gz XKVPSBBJGWRAEX-GDBMZVCRSA-N 2 0 344.434 3.055 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000563036066 459701671 /nfs/dbraw/zinc/70/16/71/459701671.db2.gz ALIQCGSOYNRQTA-FUHWJXTLSA-N 2 0 331.504 3.093 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527720868 459713909 /nfs/dbraw/zinc/71/39/09/459713909.db2.gz QQRPREXHWKKHNC-NSHDSACASA-N 2 0 346.700 3.319 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)CCC2)c1 ZINC000574050185 459774254 /nfs/dbraw/zinc/77/42/54/459774254.db2.gz CXVVJWVQQFDZRS-FUHWJXTLSA-N 2 0 332.488 3.194 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000566115450 459808842 /nfs/dbraw/zinc/80/88/42/459808842.db2.gz JGJSHDHPHDYIDA-OIISXLGYSA-N 2 0 344.421 3.190 20 0 EGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000566230136 459826960 /nfs/dbraw/zinc/82/69/60/459826960.db2.gz KYABDZRCYAGXFG-MAUKXSAKSA-N 2 0 334.479 3.334 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000593320253 459840285 /nfs/dbraw/zinc/84/02/85/459840285.db2.gz BQUYJOPIBJJAAB-WMLDXEAASA-N 2 0 336.451 3.276 20 0 EGADRP CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@@H](O)CN(C)C3CC3)C2)cc1 ZINC000574725721 459860548 /nfs/dbraw/zinc/86/05/48/459860548.db2.gz PJSIQWKVYZMTLY-RXVVDRJESA-N 2 0 330.516 3.130 20 0 EGADRP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000597238827 459889651 /nfs/dbraw/zinc/88/96/51/459889651.db2.gz JLOQLGPVQQLPCA-QUCCMNQESA-N 2 0 336.520 3.495 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCCc3cccc(Cl)c3)C2)CC1 ZINC000598588136 459953988 /nfs/dbraw/zinc/95/39/88/459953988.db2.gz HUWKBSGGTIPANF-FQEVSTJZSA-N 2 0 349.950 3.375 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621641670 459994347 /nfs/dbraw/zinc/99/43/47/459994347.db2.gz RCGXQPYUSVZDON-KRWDZBQOSA-N 2 0 347.503 3.126 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621655414 459997329 /nfs/dbraw/zinc/99/73/29/459997329.db2.gz MQVMHOAFFSXADF-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000618413984 460003035 /nfs/dbraw/zinc/00/30/35/460003035.db2.gz NRKBIALRPITART-UHFFFAOYSA-N 2 0 335.492 3.068 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000621764976 460057305 /nfs/dbraw/zinc/05/73/05/460057305.db2.gz PLGLAXPSAQDVJP-QUCCMNQESA-N 2 0 341.499 3.196 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000621764974 460057849 /nfs/dbraw/zinc/05/78/49/460057849.db2.gz PLGLAXPSAQDVJP-AZUAARDMSA-N 2 0 341.499 3.196 20 0 EGADRP C[C@@H]1[C@@H](NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576134272 460077836 /nfs/dbraw/zinc/07/78/36/460077836.db2.gz BHGMMIGSDDGEPS-UTKZUKDTSA-N 2 0 327.516 3.113 20 0 EGADRP CC(C)CN1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000614325904 460096867 /nfs/dbraw/zinc/09/68/67/460096867.db2.gz TUQKAYSLMUZDJG-MRXNPFEDSA-N 2 0 331.287 3.440 20 0 EGADRP CC(C)c1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(C(C)C)n1 ZINC000576359406 460126555 /nfs/dbraw/zinc/12/65/55/460126555.db2.gz ICSDCCPJBVZOGD-QGZVFWFLSA-N 2 0 346.519 3.415 20 0 EGADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000576364418 460126922 /nfs/dbraw/zinc/12/69/22/460126922.db2.gz GPGZNCAQBZFGFM-ZJOUEHCJSA-N 2 0 327.516 3.428 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC(CC(=O)OC)CC2)c1 ZINC000599025534 460131018 /nfs/dbraw/zinc/13/10/18/460131018.db2.gz BOGMLIWBKFJWJQ-UHFFFAOYSA-N 2 0 332.488 3.350 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000602951069 460198977 /nfs/dbraw/zinc/19/89/77/460198977.db2.gz JSAHCMGISUQWRR-FQEVSTJZSA-N 2 0 343.515 3.163 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+](CC)CC ZINC000615445152 460329586 /nfs/dbraw/zinc/32/95/86/460329586.db2.gz JKSKNAGEJUKRBI-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)C[C@H](N[C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000631660660 460494906 /nfs/dbraw/zinc/49/49/06/460494906.db2.gz TYVFMYDDDOLAKJ-CABCVRRESA-N 2 0 338.377 3.239 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000629535024 460798826 /nfs/dbraw/zinc/79/88/26/460798826.db2.gz BSSCTNOQAMEACD-RXVVDRJESA-N 2 0 345.531 3.486 20 0 EGADRP Cc1csc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000624012238 460821056 /nfs/dbraw/zinc/82/10/56/460821056.db2.gz USYQLAPTLBBQOD-OAHLLOKOSA-N 2 0 330.501 3.409 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)c2ccccc21 ZINC000624078153 460848519 /nfs/dbraw/zinc/84/85/19/460848519.db2.gz UPEFDIKLILOZER-AZUAARDMSA-N 2 0 341.499 3.481 20 0 EGADRP C[N@H+](CCOCC[NH3+])Cc1cccc(OCc2ccccc2Cl)c1 ZINC000629662440 460854922 /nfs/dbraw/zinc/85/49/22/460854922.db2.gz FNDHMTWSKCQIMR-UHFFFAOYSA-N 2 0 348.874 3.326 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000624121690 460870212 /nfs/dbraw/zinc/87/02/12/460870212.db2.gz BBIOELVFPVPLRA-HIFRSBDPSA-N 2 0 325.522 3.023 20 0 EGADRP C[C@H](NC[C@H]1CCCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121765 460871522 /nfs/dbraw/zinc/87/15/22/460871522.db2.gz CRWKMFSINITCQL-TYPHKJRUSA-N 2 0 329.532 3.219 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000635726385 460899766 /nfs/dbraw/zinc/89/97/66/460899766.db2.gz BFFCVHGECZSKPZ-QLOJAFMTSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH+](C)C2CCC2)cc1 ZINC000629948761 460969008 /nfs/dbraw/zinc/96/90/08/460969008.db2.gz IPMNWCRXWCSKNR-INIZCTEOSA-N 2 0 329.488 3.484 20 0 EGADRP CCC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000624703869 461096012 /nfs/dbraw/zinc/09/60/12/461096012.db2.gz XVHHTKYFAVJXQE-UHFFFAOYSA-N 2 0 341.455 3.022 20 0 EGADRP Cc1cncc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000649506208 461136252 /nfs/dbraw/zinc/13/62/52/461136252.db2.gz FKNLKAYKYMSOAG-UHFFFAOYSA-N 2 0 338.499 3.172 20 0 EGADRP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348983 461141680 /nfs/dbraw/zinc/14/16/80/461141680.db2.gz XXJMVRNHRSBRRY-XUVXKRRUSA-N 2 0 346.515 3.291 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000652348247 461143158 /nfs/dbraw/zinc/14/31/58/461143158.db2.gz YQVIOHJYPCFXLP-MBOZVWFJSA-N 2 0 341.455 3.060 20 0 EGADRP C[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CC[NH3+] ZINC000652354739 461149646 /nfs/dbraw/zinc/14/96/46/461149646.db2.gz GWSJHSTXZFMCFI-CZUORRHYSA-N 2 0 348.878 3.382 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652354184 461150684 /nfs/dbraw/zinc/15/06/84/461150684.db2.gz PEQKABXQMRMPCR-NVXWUHKLSA-N 2 0 328.460 3.119 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000637955792 461150619 /nfs/dbraw/zinc/15/06/19/461150619.db2.gz NHMLDFDEOXAREC-GOSISDBHSA-N 2 0 332.488 3.497 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2OC(F)F)C1 ZINC000652361975 461153883 /nfs/dbraw/zinc/15/38/83/461153883.db2.gz UZRXYDXXDGYEQL-VYDXJSESSA-N 2 0 340.414 3.149 20 0 EGADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCN(c2ccccc2)C1 ZINC000662265007 461154076 /nfs/dbraw/zinc/15/40/76/461154076.db2.gz TUMQZEJBKKYGBI-NRFANRHFSA-N 2 0 335.495 3.433 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000668172330 461156015 /nfs/dbraw/zinc/15/60/15/461156015.db2.gz LDUANFGXKZWUAT-ILZDJORESA-N 2 0 332.488 3.016 20 0 EGADRP Fc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000662273788 461161141 /nfs/dbraw/zinc/16/11/41/461161141.db2.gz PDLXJRDHGYASBQ-OLZOCXBDSA-N 2 0 328.378 3.249 20 0 EGADRP Fc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000662273787 461161282 /nfs/dbraw/zinc/16/12/82/461161282.db2.gz PDLXJRDHGYASBQ-CHWSQXEVSA-N 2 0 328.378 3.249 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC[C@@H]2CCc3ccccc32)C1 ZINC000662284440 461165213 /nfs/dbraw/zinc/16/52/13/461165213.db2.gz NHCVAVNVQGOQJM-ZSXPUABSSA-N 2 0 328.500 3.467 20 0 EGADRP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000662283759 461166456 /nfs/dbraw/zinc/16/64/56/461166456.db2.gz KMUABLDALMZSTI-UXLLHSPISA-N 2 0 338.879 3.209 20 0 EGADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000646278528 461167036 /nfs/dbraw/zinc/16/70/36/461167036.db2.gz CEMGXXCGGLFDGB-LJQANCHMSA-N 2 0 347.503 3.253 20 0 EGADRP CC(C)(C)[C@@H]([NH3+])c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641178914 461167018 /nfs/dbraw/zinc/16/70/18/461167018.db2.gz ADTYCQPULYINPW-IBGZPJMESA-N 2 0 341.503 3.358 20 0 EGADRP Cc1cncc(CC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000649552035 461170972 /nfs/dbraw/zinc/17/09/72/461170972.db2.gz UXIMMDZSISIIDQ-GOSISDBHSA-N 2 0 330.520 3.304 20 0 EGADRP Cc1cncc(CC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000649585200 461195386 /nfs/dbraw/zinc/19/53/86/461195386.db2.gz ONRSNZWASSEXSE-IAGOWNOFSA-N 2 0 338.499 3.074 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000668244505 461204911 /nfs/dbraw/zinc/20/49/11/461204911.db2.gz CVOHAWDLNLNURV-IVMQYODDSA-N 2 0 334.504 3.105 20 0 EGADRP CCn1cc(CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cn1 ZINC000649603358 461212253 /nfs/dbraw/zinc/21/22/53/461212253.db2.gz INXUOJYKPZQFMK-SFHVURJKSA-N 2 0 346.544 3.269 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H]3[C@H](CCC[NH+]3C)C1)CC2 ZINC000638178577 461290253 /nfs/dbraw/zinc/29/02/53/461290253.db2.gz ORFAABHEPLWGJV-BPQIPLTHSA-N 2 0 330.472 3.107 20 0 EGADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638292063 461350388 /nfs/dbraw/zinc/35/03/88/461350388.db2.gz UESMVWCHWJKXOD-TZIWHRDSSA-N 2 0 327.516 3.428 20 0 EGADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662698299 461351096 /nfs/dbraw/zinc/35/10/96/461351096.db2.gz JORVSIYOUIYPTG-SFHVURJKSA-N 2 0 329.488 3.389 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000633953366 461351825 /nfs/dbraw/zinc/35/18/25/461351825.db2.gz GTQQGXGCAGXTQS-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633953426 461352281 /nfs/dbraw/zinc/35/22/81/461352281.db2.gz JDNCMWUJUWHDHB-FGTMMUONSA-N 2 0 335.536 3.115 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)cc1 ZINC000638309529 461358816 /nfs/dbraw/zinc/35/88/16/461358816.db2.gz RJMZTJNREMNZQI-LPHOPBHVSA-N 2 0 331.504 3.065 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C[C@H]1C ZINC000662743200 461364775 /nfs/dbraw/zinc/36/47/75/461364775.db2.gz LAKIGYAPAQFLAO-LZQZEXGQSA-N 2 0 343.515 3.010 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2cccc3ccccc32)CC1 ZINC000638359027 461383659 /nfs/dbraw/zinc/38/36/59/461383659.db2.gz FEYGTNLOCZIQAW-UHFFFAOYSA-N 2 0 326.484 3.207 20 0 EGADRP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000655728707 461396730 /nfs/dbraw/zinc/39/67/30/461396730.db2.gz AHIDTEAEMYNCQS-UHFFFAOYSA-N 2 0 332.879 3.266 20 0 EGADRP CCO[C@H]1CCC[NH+](CCC(C)CC[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000662943469 461415303 /nfs/dbraw/zinc/41/53/03/461415303.db2.gz OTOPJSSIQQJNMH-PMACEKPBSA-N 2 0 340.552 3.405 20 0 EGADRP C[NH+](C)Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Cl ZINC000655764367 461430305 /nfs/dbraw/zinc/43/03/05/461430305.db2.gz ZPTAVDLHAHQJOY-KRWDZBQOSA-N 2 0 337.895 3.067 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@](C)(OC)C3CC3)CC2)cc1 ZINC000638454606 461435576 /nfs/dbraw/zinc/43/55/76/461435576.db2.gz YJYJNRJNJCHPSZ-NRFANRHFSA-N 2 0 346.515 3.312 20 0 EGADRP OCc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000638457813 461437884 /nfs/dbraw/zinc/43/78/84/461437884.db2.gz XXARGXIMPZMFAY-UHFFFAOYSA-N 2 0 330.497 3.242 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000655790923 461449081 /nfs/dbraw/zinc/44/90/81/461449081.db2.gz DKGOPJNXQQESEC-UHFFFAOYSA-N 2 0 326.488 3.453 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccn(C)n1 ZINC000666127163 461463238 /nfs/dbraw/zinc/46/32/38/461463238.db2.gz HWEKWMCTCRIQLD-XFIJJGBISA-N 2 0 338.499 3.371 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccncc1Br ZINC000631030088 461483044 /nfs/dbraw/zinc/48/30/44/461483044.db2.gz MMVJVKNZFLKPNX-ZDUSSCGKSA-N 2 0 328.298 3.444 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631042413 461496334 /nfs/dbraw/zinc/49/63/34/461496334.db2.gz QPEZMOUUNCFTMH-UHFFFAOYSA-N 2 0 343.490 3.486 20 0 EGADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000642339826 461499120 /nfs/dbraw/zinc/49/91/20/461499120.db2.gz AYYJLIGDOWICEG-MISYRCLQSA-N 2 0 344.547 3.384 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000653119550 461509596 /nfs/dbraw/zinc/50/95/96/461509596.db2.gz NYRCRKAKTBLNNX-IEBWSBKVSA-N 2 0 345.531 3.402 20 0 EGADRP c1ccc2c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nsc2c1 ZINC000659973871 461524538 /nfs/dbraw/zinc/52/45/38/461524538.db2.gz ILTRULVNUNPMBE-UHFFFAOYSA-N 2 0 345.512 3.373 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000638680374 461531656 /nfs/dbraw/zinc/53/16/56/461531656.db2.gz CATVBHBPQAGSFI-AZUAARDMSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C[N@@H+]1Cc1ccccc1 ZINC000631099168 461548502 /nfs/dbraw/zinc/54/85/02/461548502.db2.gz GEKFRAYEWAZBRB-WMZOPIPTSA-N 2 0 325.456 3.178 20 0 EGADRP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638727938 461550542 /nfs/dbraw/zinc/55/05/42/461550542.db2.gz ADRCTVKSKGJQGC-VQTJNVASSA-N 2 0 346.515 3.040 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201004 461555449 /nfs/dbraw/zinc/55/54/49/461555449.db2.gz WVQBUCQXOKILIE-XLIONFOSSA-N 2 0 345.531 3.483 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC[C@@H]1CCc2ccccc21 ZINC000660115555 461589449 /nfs/dbraw/zinc/58/94/49/461589449.db2.gz BIBNDFCXSGHXFZ-UYWIDEMCSA-N 2 0 328.500 3.290 20 0 EGADRP CC(C)c1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000660141988 461607415 /nfs/dbraw/zinc/60/74/15/461607415.db2.gz ZTIWXMYEZHICAD-NRFANRHFSA-N 2 0 329.532 3.410 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000647282179 461608821 /nfs/dbraw/zinc/60/88/21/461608821.db2.gz DPZNLNKGOFWPRV-NRFANRHFSA-N 2 0 347.547 3.398 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000647288587 461615854 /nfs/dbraw/zinc/61/58/54/461615854.db2.gz HSCJQXFSURDDHB-PXNSSMCTSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)O1 ZINC000666429376 461621896 /nfs/dbraw/zinc/62/18/96/461621896.db2.gz QWHYQVRJQRBOIB-ZIFCJYIRSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)O1 ZINC000666429370 461622241 /nfs/dbraw/zinc/62/22/41/461622241.db2.gz QWHYQVRJQRBOIB-AOIWGVFYSA-N 2 0 332.488 3.064 20 0 EGADRP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663464643 461652996 /nfs/dbraw/zinc/65/29/96/461652996.db2.gz FOAIDVYTNSVGBB-HKUYNNGSSA-N 2 0 328.500 3.264 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000663469605 461660449 /nfs/dbraw/zinc/66/04/49/461660449.db2.gz QYKDINSKPNDGQS-WMZOPIPTSA-N 2 0 339.487 3.040 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000663471769 461661467 /nfs/dbraw/zinc/66/14/67/461661467.db2.gz XWVHOJOECIJPOL-RDJZCZTQSA-N 2 0 330.472 3.230 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639075461 461709769 /nfs/dbraw/zinc/70/97/69/461709769.db2.gz JPYAVUXRNNQXTI-OFCAXSSNSA-N 2 0 328.500 3.495 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCCC13CC[NH+](C)CC3)CC2 ZINC000639082331 461715975 /nfs/dbraw/zinc/71/59/75/461715975.db2.gz PPQPQOVBNIVISI-QGZVFWFLSA-N 2 0 330.472 3.251 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)ccc21 ZINC000647477356 461722668 /nfs/dbraw/zinc/72/26/68/461722668.db2.gz XROLVZDPBDRLLY-MSOLQXFVSA-N 2 0 342.487 3.032 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000669572844 461725212 /nfs/dbraw/zinc/72/52/12/461725212.db2.gz DXUAAKMDXXYIQN-UHFFFAOYSA-N 2 0 332.488 3.161 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1[NH3+] ZINC000647497796 461736371 /nfs/dbraw/zinc/73/63/71/461736371.db2.gz VYEOYZKZTYYJGK-UYAOXDASSA-N 2 0 325.456 3.220 20 0 EGADRP CC[C@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC[C@H]1[NH3+] ZINC000647498562 461736660 /nfs/dbraw/zinc/73/66/60/461736660.db2.gz KDKRYPZULDTQPY-HNAYVOBHSA-N 2 0 330.451 3.187 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643486545 461742855 /nfs/dbraw/zinc/74/28/55/461742855.db2.gz ZAOZUBAUBGAQKU-DLBZAZTESA-N 2 0 340.515 3.475 20 0 EGADRP [NH3+]C1CCC([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1 ZINC000643493197 461745048 /nfs/dbraw/zinc/74/50/48/461745048.db2.gz QPEHFTZYHLRVMR-NRXISQOPSA-N 2 0 346.425 3.003 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000666664797 461747605 /nfs/dbraw/zinc/74/76/05/461747605.db2.gz MSFJBSUMXJLFRN-WBVHZDCISA-N 2 0 345.491 3.053 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543310 461756200 /nfs/dbraw/zinc/75/62/00/461756200.db2.gz KXIKVPVFYDJJGL-HOTGVXAUSA-N 2 0 342.462 3.427 20 0 EGADRP Brc1cc2c(s1)CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535546 461756474 /nfs/dbraw/zinc/75/64/74/461756474.db2.gz GEKPJTOAZLIVQL-ZYHUDNBSSA-N 2 0 327.291 3.230 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543216 461757074 /nfs/dbraw/zinc/75/70/74/461757074.db2.gz JMJSTTVRWHPOCY-ZOBUZTSGSA-N 2 0 335.517 3.206 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cnc21 ZINC000647543954 461759737 /nfs/dbraw/zinc/75/97/37/461759737.db2.gz UUPSJPGMSDHZOP-QZTJIDSGSA-N 2 0 341.503 3.224 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547834 461761225 /nfs/dbraw/zinc/76/12/25/461761225.db2.gz JOPJVHOEGNHNDG-XSDIEEQYSA-N 2 0 339.527 3.446 20 0 EGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000653616620 461761864 /nfs/dbraw/zinc/76/18/64/461761864.db2.gz QRFBRQNLIQSLPP-VQIMIIECSA-N 2 0 344.503 3.231 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000647550675 461762864 /nfs/dbraw/zinc/76/28/64/461762864.db2.gz ANEFSFCNKSWUSZ-IACUBPJLSA-N 2 0 328.378 3.192 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1cccnc1 ZINC000647550995 461763121 /nfs/dbraw/zinc/76/31/21/461763121.db2.gz SBGARVFUFBHEBP-YESZJQIVSA-N 2 0 341.430 3.491 20 0 EGADRP COc1ccccc1OCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656496849 461767855 /nfs/dbraw/zinc/76/78/55/461767855.db2.gz ONNJZQNNNSOIMA-UHFFFAOYSA-N 2 0 341.455 3.118 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000639177034 461782893 /nfs/dbraw/zinc/78/28/93/461782893.db2.gz OMKXUKMOJOAITR-PKOBYXMFSA-N 2 0 344.499 3.355 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@H]3C[NH+](C)CC[C@@H]31)CC2 ZINC000639177247 461783365 /nfs/dbraw/zinc/78/33/65/461783365.db2.gz BXEKWRWSXRUJMH-RYQLBKOJSA-N 2 0 330.472 3.107 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCCN1c1cc(CO)cc(C)n1 ZINC000663747269 461786707 /nfs/dbraw/zinc/78/67/07/461786707.db2.gz UEHGREDTIBORGG-KRWDZBQOSA-N 2 0 336.439 3.209 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000639214167 461807843 /nfs/dbraw/zinc/80/78/43/461807843.db2.gz REVUXXZXFAUTLR-KOMQPUFPSA-N 2 0 336.907 3.411 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000647786196 461834531 /nfs/dbraw/zinc/83/45/31/461834531.db2.gz KCINJRSHRMVKCY-OKZBNKHCSA-N 2 0 332.488 3.004 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789675 461835579 /nfs/dbraw/zinc/83/55/79/461835579.db2.gz JCOAENOCAPNRRW-ZJMDRBKZSA-N 3 0 341.543 3.121 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000647789779 461835933 /nfs/dbraw/zinc/83/59/33/461835933.db2.gz LHLZLRWJRSDNKX-GUDVDZBRSA-N 2 0 328.500 3.021 20 0 EGADRP Brc1cccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647791286 461836726 /nfs/dbraw/zinc/83/67/26/461836726.db2.gz BMKDJMAZAOSDNV-HEHGZKQESA-N 2 0 335.289 3.416 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000647794273 461838363 /nfs/dbraw/zinc/83/83/63/461838363.db2.gz WUEQKGXTRJOQLD-SIZVQLJJSA-N 2 0 333.907 3.063 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC2CCCCC2)n1 ZINC000647793078 461838611 /nfs/dbraw/zinc/83/86/11/461838611.db2.gz KDKFDQLIFJKKJZ-OKZBNKHCSA-N 2 0 329.488 3.271 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856667 461838809 /nfs/dbraw/zinc/83/88/09/461838809.db2.gz XYCGQWDLXBSYKL-GOSISDBHSA-N 2 0 346.906 3.433 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000647796996 461839703 /nfs/dbraw/zinc/83/97/03/461839703.db2.gz UJASPKQYDTUYNW-HUUJSLGLSA-N 2 0 345.531 3.054 20 0 EGADRP CO[C@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000639311276 461854887 /nfs/dbraw/zinc/85/48/87/461854887.db2.gz JWAXLDAUVCAYRZ-HXUWFJFHSA-N 2 0 331.504 3.088 20 0 EGADRP CC[C@@H]1C[N@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC[C@H]1[NH3+] ZINC000647937857 461893408 /nfs/dbraw/zinc/89/34/08/461893408.db2.gz DDTOQSNYTFDDHG-RHSMWYFYSA-N 2 0 346.450 3.176 20 0 EGADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647938356 461895936 /nfs/dbraw/zinc/89/59/36/461895936.db2.gz KQLBOQKYBZUVAO-CRAIPNDOSA-N 2 0 325.456 3.228 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000656787323 461897286 /nfs/dbraw/zinc/89/72/86/461897286.db2.gz XHJHWPDTRCRXNK-MRXNPFEDSA-N 2 0 328.460 3.190 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000656787771 461897719 /nfs/dbraw/zinc/89/77/19/461897719.db2.gz UPEQZROUQWGBAY-YYIAUSFCSA-N 2 0 333.907 3.144 20 0 EGADRP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc2O1 ZINC000650707437 461900961 /nfs/dbraw/zinc/90/09/61/461900961.db2.gz GDZUQVWZXIXHRH-XKGZKEIXSA-N 2 0 344.499 3.118 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995643 461902468 /nfs/dbraw/zinc/90/24/68/461902468.db2.gz UUIMQJNQFGMQGY-XJKSGUPXSA-N 2 0 335.879 3.321 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000650708515 461902785 /nfs/dbraw/zinc/90/27/85/461902785.db2.gz BEKAKATZWREDJC-FPOVZHCZSA-N 2 0 337.467 3.221 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660655097 461904446 /nfs/dbraw/zinc/90/44/46/461904446.db2.gz KKRKJHYYSJJZQK-XLIONFOSSA-N 2 0 329.488 3.048 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711741 461904986 /nfs/dbraw/zinc/90/49/86/461904986.db2.gz BWOPQQBNARMBRD-LIRRHRJNSA-N 2 0 330.451 3.269 20 0 EGADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998302 461905906 /nfs/dbraw/zinc/90/59/06/461905906.db2.gz MVCBYTYYYIXDJQ-PKOBYXMFSA-N 2 0 330.472 3.009 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998435 461906124 /nfs/dbraw/zinc/90/61/24/461906124.db2.gz UDEIJPRQTKSNLU-CQSZACIVSA-N 2 0 328.378 3.392 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000650721864 461912992 /nfs/dbraw/zinc/91/29/92/461912992.db2.gz DLWAXDSPOALXDJ-OIISXLGYSA-N 2 0 340.414 3.149 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722271 461914159 /nfs/dbraw/zinc/91/41/59/461914159.db2.gz ONFCHNZSOKTERA-MISYRCLQSA-N 2 0 332.488 3.336 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650752617 461933027 /nfs/dbraw/zinc/93/30/27/461933027.db2.gz VMHVHYUFCXIGEA-CQSZACIVSA-N 2 0 329.419 3.100 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c(Br)c1 ZINC000650762634 461940096 /nfs/dbraw/zinc/94/00/96/461940096.db2.gz GPAGFYSINOMCPH-LBPRGKRZSA-N 2 0 341.293 3.498 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000650763286 461942169 /nfs/dbraw/zinc/94/21/69/461942169.db2.gz WYDXEDQJAHXAFY-BHDDXSALSA-N 2 0 341.543 3.266 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1ccc(-c3ccc(F)cc3)o1)CCO2 ZINC000648071649 461967721 /nfs/dbraw/zinc/96/77/21/461967721.db2.gz NDQUAXNWHVAUIS-UHFFFAOYSA-N 2 0 344.430 3.382 20 0 EGADRP O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000644550454 461981354 /nfs/dbraw/zinc/98/13/54/461981354.db2.gz QUGKNPRAWRJTHV-HOCLYGCPSA-N 2 0 334.426 3.219 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@](O)(C(F)(F)F)C3)CC2)C1 ZINC000644553620 461983866 /nfs/dbraw/zinc/98/38/66/461983866.db2.gz SVISUPNKZPWNMU-BSWAZPDLSA-N 2 0 348.453 3.465 20 0 EGADRP CCc1cccc2cc(C[NH2+]CC(C)(C)N3CC[NH+](C)CC3)oc21 ZINC000657303798 462029938 /nfs/dbraw/zinc/02/99/38/462029938.db2.gz GWKOOJNHZLIOTD-UHFFFAOYSA-N 2 0 329.488 3.111 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657311067 462036723 /nfs/dbraw/zinc/03/67/23/462036723.db2.gz HJYDSXLLHXDVOJ-CYBMUJFWSA-N 2 0 332.414 3.183 20 0 EGADRP c1ccc(CN2CCCO[C@@H](C[NH+]3CCC(C4CC4)CC3)C2)cc1 ZINC000644720368 462050478 /nfs/dbraw/zinc/05/04/78/462050478.db2.gz YQIFGBMACZMOIV-NRFANRHFSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)N1CC[NH+](C)CC1 ZINC000657348863 462064315 /nfs/dbraw/zinc/06/43/15/462064315.db2.gz KFNONRPLNRBSIS-MRXNPFEDSA-N 2 0 329.513 3.141 20 0 EGADRP CCCn1nccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657358027 462068109 /nfs/dbraw/zinc/06/81/09/462068109.db2.gz UMUUTMDTCQVYEJ-UHFFFAOYSA-N 2 0 342.487 3.058 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(COC)cs2)[C@H](C)C1 ZINC000657363771 462073066 /nfs/dbraw/zinc/07/30/66/462073066.db2.gz RULDOXIOHNCCKS-QAPCUYQASA-N 2 0 340.533 3.121 20 0 EGADRP Clc1cnc2oc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2c1 ZINC000648357841 462076839 /nfs/dbraw/zinc/07/68/39/462076839.db2.gz WHHALZGYGXUFLT-UHFFFAOYSA-N 2 0 349.862 3.025 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3c(C4CC4)cnn3C)CC2)CC1 ZINC000657415099 462107224 /nfs/dbraw/zinc/10/72/24/462107224.db2.gz GQSIWUDTPCILTE-UHFFFAOYSA-N 2 0 330.520 3.430 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000648491773 462146168 /nfs/dbraw/zinc/14/61/68/462146168.db2.gz DEFBPBLVDIUYBJ-UXHICEINSA-N 2 0 346.515 3.251 20 0 EGADRP c1sc(C2CC2)nc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611689 462203268 /nfs/dbraw/zinc/20/32/68/462203268.db2.gz CVJJJZFFHGNTAE-UHFFFAOYSA-N 2 0 342.512 3.417 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cncc(F)c1 ZINC000657612618 462203537 /nfs/dbraw/zinc/20/35/37/462203537.db2.gz BHPQWBDZAOTTRH-OAHLLOKOSA-N 2 0 328.435 3.179 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000667707165 462224620 /nfs/dbraw/zinc/22/46/20/462224620.db2.gz RSWJCJVCLGFUIZ-MISYRCLQSA-N 2 0 332.488 3.077 20 0 EGADRP CCO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000648741031 462256032 /nfs/dbraw/zinc/25/60/32/462256032.db2.gz KZZVDRYYAJXTFE-WIYYLYMNSA-N 2 0 346.515 3.408 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640099033 462257014 /nfs/dbraw/zinc/25/70/14/462257014.db2.gz HCOZTVKOMMTARY-AQNXPRMDSA-N 2 0 325.456 3.306 20 0 EGADRP Cc1ccc(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000651601302 462273739 /nfs/dbraw/zinc/27/37/39/462273739.db2.gz BWRIUMHQPTZZDD-UHFFFAOYSA-N 2 0 339.483 3.197 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657812152 462279861 /nfs/dbraw/zinc/27/98/61/462279861.db2.gz NDGPUKUQQRGHEF-UHFFFAOYSA-N 2 0 342.462 3.427 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000648815695 462291219 /nfs/dbraw/zinc/29/12/19/462291219.db2.gz PGEDBCDOTFKWCS-LJQANCHMSA-N 2 0 332.488 3.068 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651669933 462297302 /nfs/dbraw/zinc/29/73/02/462297302.db2.gz OOJXNFOHETWZTH-UHFFFAOYSA-N 2 0 349.482 3.399 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C3(OC)CCC3)CC2)cc1 ZINC000657859563 462300097 /nfs/dbraw/zinc/30/00/97/462300097.db2.gz WBKWFNDCBYVWRB-QGZVFWFLSA-N 2 0 346.515 3.454 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CCOC4(CC[NH+](C)CC4)C3)c2c1 ZINC000645386143 462308399 /nfs/dbraw/zinc/30/83/99/462308399.db2.gz ZKRLBDCZOQOCCS-UHFFFAOYSA-N 2 0 339.483 3.488 20 0 EGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OC1CCCC1 ZINC000665238466 462363041 /nfs/dbraw/zinc/36/30/41/462363041.db2.gz YWYYHGHGIOCDGO-JONQDZQNSA-N 2 0 334.426 3.387 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237588 462363788 /nfs/dbraw/zinc/36/37/88/462363788.db2.gz FFEPNCLJMQKMNO-BZNIZROVSA-N 2 0 345.409 3.389 20 0 EGADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068723 462366581 /nfs/dbraw/zinc/36/65/81/462366581.db2.gz IALHDPYIALIYGL-FQEVSTJZSA-N 2 0 330.516 3.488 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000665248034 462367858 /nfs/dbraw/zinc/36/78/58/462367858.db2.gz NTMCGROYDKCQGU-XUVXKRRUSA-N 2 0 327.516 3.148 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254622 462369911 /nfs/dbraw/zinc/36/99/11/462369911.db2.gz VPOZEQWYPZSLDC-KCUHQSDYSA-N 2 0 333.495 3.172 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1)c1cccs1 ZINC000640531184 462430994 /nfs/dbraw/zinc/43/09/94/462430994.db2.gz HETDOKTVCDNLEL-MRXNPFEDSA-N 2 0 337.533 3.123 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)[C@@H](C)C1 ZINC000658350243 462485518 /nfs/dbraw/zinc/48/55/18/462485518.db2.gz XCRXVQSWQJECPG-WMQCIHAUSA-N 2 0 346.515 3.202 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)[C@@H](C)C1 ZINC000658350246 462485930 /nfs/dbraw/zinc/48/59/30/462485930.db2.gz XCRXVQSWQJECPG-YYWHXJBOSA-N 2 0 346.515 3.202 20 0 EGADRP Cc1noc(C2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)n1 ZINC000658354031 462486748 /nfs/dbraw/zinc/48/67/48/462486748.db2.gz VUFWTHPCXNOIQS-UHFFFAOYSA-N 2 0 332.492 3.116 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2C)[C@H](C)C1 ZINC000658352314 462487003 /nfs/dbraw/zinc/48/70/03/462487003.db2.gz HWWIWAKZHZLUIX-VQIMIIECSA-N 2 0 334.504 3.230 20 0 EGADRP COc1cc(C[NH+]2CC[C@H]3C[C@H]3C2)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661967333 462490871 /nfs/dbraw/zinc/49/08/71/462490871.db2.gz OFXHSXBBTQYIPM-FGYAAKKASA-N 2 0 326.484 3.379 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[C@H](C)[NH3+] ZINC000649378514 462492681 /nfs/dbraw/zinc/49/26/81/462492681.db2.gz CHDLXXIVLIMJPZ-LNLFQRSKSA-N 2 0 337.552 3.109 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000168509112 533896083 /nfs/dbraw/zinc/89/60/83/533896083.db2.gz JGSVONFGWIUOHM-RSPOEFSDSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC[N@@H+]1C ZINC000178462500 534111970 /nfs/dbraw/zinc/11/19/70/534111970.db2.gz AXRZVIOIRZWMFV-FUHWJXTLSA-N 2 0 344.499 3.342 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181681848 527870071 /nfs/dbraw/zinc/87/00/71/527870071.db2.gz GGFRYUYCONUYQQ-BURNTYAHSA-N 2 0 342.527 3.344 20 0 EGADRP CC(C)C[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000132412394 528360342 /nfs/dbraw/zinc/36/03/42/528360342.db2.gz MGCZITPIJAQGIN-WOJBJXKFSA-N 2 0 332.536 3.030 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OCC ZINC000154901029 528425191 /nfs/dbraw/zinc/42/51/91/528425191.db2.gz QCILPDQFWAWPJC-SJLPKXTDSA-N 2 0 334.504 3.346 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000187224363 529033670 /nfs/dbraw/zinc/03/36/70/529033670.db2.gz QQFDKOROSLDUFV-FPOVZHCZSA-N 2 0 330.516 3.344 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000154538588 529143389 /nfs/dbraw/zinc/14/33/89/529143389.db2.gz BGWZKUKBXZUKDM-QFIPXVFZSA-N 2 0 343.559 3.323 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154466685 529143628 /nfs/dbraw/zinc/14/36/28/529143628.db2.gz NQHAGGFGCLRXHZ-IBGZPJMESA-N 2 0 349.494 3.047 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000186999511 529143649 /nfs/dbraw/zinc/14/36/49/529143649.db2.gz FUMJPKWHFHENIX-NRFANRHFSA-N 2 0 331.548 3.261 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1 ZINC000154951172 529183864 /nfs/dbraw/zinc/18/38/64/529183864.db2.gz MOMURWMRHGQSRH-LJQANCHMSA-N 2 0 342.462 3.213 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000246989954 535281562 /nfs/dbraw/zinc/28/15/62/535281562.db2.gz KQRIAAGCBGEEMF-RXVVDRJESA-N 3 0 329.532 3.491 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000370495868 536355922 /nfs/dbraw/zinc/35/59/22/536355922.db2.gz GLMQLTMNMNBVQE-VQTJNVASSA-N 2 0 334.479 3.446 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(F)ccc1Br)C1CC[NH+](C)CC1 ZINC000038039068 546540005 /nfs/dbraw/zinc/54/00/05/546540005.db2.gz VVSDBTYBRKKMJO-LLVKDONJSA-N 2 0 329.257 3.408 20 0 EGADRP C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000089552113 546644504 /nfs/dbraw/zinc/64/45/04/546644504.db2.gz GGFWUFOAJHERKM-CYBMUJFWSA-N 2 0 330.394 3.404 20 0 EGADRP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH+](C)CC1 ZINC000089555988 546644677 /nfs/dbraw/zinc/64/46/77/546644677.db2.gz KLRRTMAJCGVYPG-CYBMUJFWSA-N 2 0 348.878 3.252 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000158886348 546931176 /nfs/dbraw/zinc/93/11/76/546931176.db2.gz NXHIXPURINLBRT-SFHVURJKSA-N 2 0 332.536 3.329 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270517 546970688 /nfs/dbraw/zinc/97/06/88/546970688.db2.gz VWJMKVORCSLKTL-BBTUJRGHSA-N 2 0 329.532 3.359 20 0 EGADRP COc1cccc2c1OC[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000164509127 546978648 /nfs/dbraw/zinc/97/86/48/546978648.db2.gz YPSIMSMSWXLIKB-GOSISDBHSA-N 2 0 344.499 3.385 20 0 EGADRP CCC[NH+]1CCC(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000165288594 546983373 /nfs/dbraw/zinc/98/33/73/546983373.db2.gz RKQXEFHVTBKBIM-HXUWFJFHSA-N 3 0 329.532 3.015 20 0 EGADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000166441871 546989748 /nfs/dbraw/zinc/98/97/48/546989748.db2.gz UEHGSWYOYOJNIB-IEBWSBKVSA-N 2 0 325.456 3.409 20 0 EGADRP Cc1cccc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000280130240 547370691 /nfs/dbraw/zinc/37/06/91/547370691.db2.gz OWXQGAIIDZTYHB-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP Cc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000280566176 547373999 /nfs/dbraw/zinc/37/39/99/547373999.db2.gz LHEUQGKVALRRJX-CEMLEFRQSA-N 2 0 335.495 3.433 20 0 EGADRP c1cc([C@H]2CCC[N@H+]2CCCCC[NH+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286011107 547390514 /nfs/dbraw/zinc/39/05/14/547390514.db2.gz GWXZJGFGNDKVIS-KDURUIRLSA-N 2 0 342.491 3.277 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105353 547461080 /nfs/dbraw/zinc/46/10/80/547461080.db2.gz ZVTAWAYTXSJABZ-QHAWAJNXSA-N 2 0 327.516 3.115 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339067261 547568705 /nfs/dbraw/zinc/56/87/05/547568705.db2.gz FSUQBSSYWZWBBP-IRXDYDNUSA-N 2 0 332.488 3.198 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000339077037 547569233 /nfs/dbraw/zinc/56/92/33/547569233.db2.gz YIFRCOMSAITQOM-MSOLQXFVSA-N 2 0 332.488 3.243 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371251926 547797509 /nfs/dbraw/zinc/79/75/09/547797509.db2.gz RGCUTCXXFQGUKI-KZNAEPCWSA-N 2 0 332.488 3.241 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383508328 547821381 /nfs/dbraw/zinc/82/13/81/547821381.db2.gz KQZYVBBTRPMZRS-WAOWUJCRSA-N 3 0 329.532 3.217 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000398106990 547836777 /nfs/dbraw/zinc/83/67/77/547836777.db2.gz MXLWDQCFMWSHAT-SDZDHKAXSA-N 2 0 327.516 3.160 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000415038899 547863450 /nfs/dbraw/zinc/86/34/50/547863450.db2.gz NVEZLXXHSABFTB-AAEUAGOBSA-N 2 0 334.261 3.214 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1Cl ZINC000425951158 547886252 /nfs/dbraw/zinc/88/62/52/547886252.db2.gz MAWDYAMULMUVIL-GXTWGEPZSA-N 2 0 325.884 3.153 20 0 EGADRP CO[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441375347 547914542 /nfs/dbraw/zinc/91/45/42/547914542.db2.gz HXIRXQRACJRKKI-MKXGPGLRSA-N 2 0 326.525 3.155 20 0 EGADRP C[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)(C)C ZINC000670267184 548193713 /nfs/dbraw/zinc/19/37/13/548193713.db2.gz UXCPONJQFCJZKZ-VQIMIIECSA-N 2 0 345.531 3.156 20 0 EGADRP COc1ccccc1N1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000671744966 548351620 /nfs/dbraw/zinc/35/16/20/548351620.db2.gz SEVFDWINSJTDGN-UHFFFAOYSA-N 2 0 331.504 3.126 20 0 EGADRP CCn1ccnc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000677129212 549214668 /nfs/dbraw/zinc/21/46/68/549214668.db2.gz OACVNYBXIAGLQE-MJGOQNOKSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000677240102 549234889 /nfs/dbraw/zinc/23/48/89/549234889.db2.gz SYULIDBEBVXSKH-UXJHKWJQSA-N 2 0 341.543 3.359 20 0 EGADRP Cn1cc(-c2nc(C[NH+]3CCC(CCC[NH+](C)C)CC3)cs2)cn1 ZINC000678045775 549383772 /nfs/dbraw/zinc/38/37/72/549383772.db2.gz KNCOQNRSENFURX-UHFFFAOYSA-N 2 0 347.532 3.097 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(C)C)CC2)[C@H](C)C1 ZINC000678604166 549529097 /nfs/dbraw/zinc/52/90/97/549529097.db2.gz DLPUKIVNBZBQCE-OAHAVBBTSA-N 2 0 340.552 3.449 20 0 EGADRP CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719034 549547188 /nfs/dbraw/zinc/54/71/88/549547188.db2.gz GKXDJFUMFQXKGI-OAQYLSRUSA-N 2 0 329.532 3.410 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1c2ccccc2CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000678766561 549556524 /nfs/dbraw/zinc/55/65/24/549556524.db2.gz MLOKTJRAYSJXCA-QMMLZNLJSA-N 2 0 329.532 3.172 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000679732189 549770153 /nfs/dbraw/zinc/77/01/53/549770153.db2.gz SQWIPJPCIMSPNW-UHFFFAOYSA-N 2 0 344.528 3.353 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000680460734 549867970 /nfs/dbraw/zinc/86/79/70/549867970.db2.gz WOQYSHYXGVFRBX-SFHVURJKSA-N 2 0 335.923 3.333 20 0 EGADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401526 549992989 /nfs/dbraw/zinc/99/29/89/549992989.db2.gz HIDFNIDNAMEFIP-UWJYYQICSA-N 2 0 329.532 3.217 20 0 EGADRP CC[C@]1(C)COCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681490689 550004713 /nfs/dbraw/zinc/00/47/13/550004713.db2.gz AEHHMLKAYKFACX-HXUWFJFHSA-N 2 0 332.488 3.162 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH+]2CCC(OCC[NH+](C)C)CC2)cc1C ZINC000682069691 550067574 /nfs/dbraw/zinc/06/75/74/550067574.db2.gz HLTBWQYQIPUVSD-QGZVFWFLSA-N 2 0 334.504 3.416 20 0 EGADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000684557551 550343035 /nfs/dbraw/zinc/34/30/35/550343035.db2.gz WTGYUFCBQHKPQT-BVJIBDCISA-N 2 0 328.500 3.302 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1C ZINC000684889655 550380961 /nfs/dbraw/zinc/38/09/61/550380961.db2.gz FCIUBIAIJHCISM-WOJBJXKFSA-N 2 0 339.483 3.141 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1C ZINC000684889653 550381002 /nfs/dbraw/zinc/38/10/02/550381002.db2.gz FCIUBIAIJHCISM-UXHICEINSA-N 2 0 339.483 3.141 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+]([C@@H]3CCOC3)CC2)c1C ZINC000684892030 550381178 /nfs/dbraw/zinc/38/11/78/550381178.db2.gz ZUOYRZIRLHNLLW-MRXNPFEDSA-N 2 0 325.456 3.017 20 0 EGADRP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685442214 550417058 /nfs/dbraw/zinc/41/70/58/550417058.db2.gz HZGWFWPXMHZCPC-HKUYNNGSSA-N 2 0 334.504 3.143 20 0 EGADRP C[C@@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000685457270 550419274 /nfs/dbraw/zinc/41/92/74/550419274.db2.gz RJIPGDOUGDNDTQ-JXFKEZNVSA-N 2 0 333.495 3.030 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000729684261 574878830 /nfs/dbraw/zinc/87/88/30/574878830.db2.gz NFOTWYRVWKJVGF-UHFFFAOYSA-N 2 0 337.511 3.471 20 0 EGADRP CN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000735870953 575728730 /nfs/dbraw/zinc/72/87/30/575728730.db2.gz SWPWCEXSRHIMND-INIZCTEOSA-N 2 0 331.504 3.196 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000739800393 576506644 /nfs/dbraw/zinc/50/66/44/576506644.db2.gz OJSPKDPKQRPKGA-UHFFFAOYSA-N 2 0 343.515 3.382 20 0 EGADRP CC(C)(C)OC(=O)NCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000305890187 1297065809 /nfs/dbraw/zinc/06/58/09/1297065809.db2.gz SGNXBNQVNFHLMM-IAGOWNOFSA-N 2 0 333.476 3.071 20 0 EGADRP C[C@H](N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693713385 1298150737 /nfs/dbraw/zinc/15/07/37/1298150737.db2.gz OBDBXGJOXBSQEA-KTIPNOMGSA-N 2 0 341.543 3.263 20 0 EGADRP CC1(C)[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC000693711367 1298150938 /nfs/dbraw/zinc/15/09/38/1298150938.db2.gz DYHSKTIHGWTOEY-PLACYPQZSA-N 2 0 341.543 3.265 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000047977469 1291591635 /nfs/dbraw/zinc/59/16/35/1291591635.db2.gz KZNCWGSUHFYUGU-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000069160425 1292232953 /nfs/dbraw/zinc/23/29/53/1292232953.db2.gz YNVGUSZNPYKPHA-CQSZACIVSA-N 2 0 328.403 3.118 20 0 EGADRP CC(C)[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000074337241 1292345666 /nfs/dbraw/zinc/34/56/66/1292345666.db2.gz JZQOBWBJKWZSCE-OAQYLSRUSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000074337244 1292346022 /nfs/dbraw/zinc/34/60/22/1292346022.db2.gz JZQOBWBJKWZSCE-NRFANRHFSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000080374333 1292597877 /nfs/dbraw/zinc/59/78/77/1292597877.db2.gz HHAWJVGSZAUVLS-UHFFFAOYSA-N 2 0 326.916 3.230 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000089137439 1292757615 /nfs/dbraw/zinc/75/76/15/1292757615.db2.gz GOKGNECPZXQLHF-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CNCc2ccn(-c3ccccc3)n2)C1 ZINC000091064191 1292813912 /nfs/dbraw/zinc/81/39/12/1292813912.db2.gz LNEVXZCUNAWZPE-GOSISDBHSA-N 2 0 326.488 3.330 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000105451339 1293036959 /nfs/dbraw/zinc/03/69/59/1293036959.db2.gz XOFLWMLPBROEDO-UHFFFAOYSA-N 2 0 343.437 3.069 20 0 EGADRP C[C@@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)N1CC[NH+](C)CC1 ZINC000105467146 1293039292 /nfs/dbraw/zinc/03/92/92/1293039292.db2.gz RZCQKZKQIKKNLI-SFHVURJKSA-N 2 0 339.483 3.204 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1nc(Br)cs1 ZINC000834566533 1293117149 /nfs/dbraw/zinc/11/71/49/1293117149.db2.gz OCEGJJKHQFTESX-SNVBAGLBSA-N 2 0 332.311 3.288 20 0 EGADRP COC1([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000834789567 1293148965 /nfs/dbraw/zinc/14/89/65/1293148965.db2.gz DBKDNZUWSOAUPJ-UYAOXDASSA-N 2 0 346.515 3.072 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)cc1Br ZINC000119515093 1293275634 /nfs/dbraw/zinc/27/56/34/1293275634.db2.gz CMJURPSWENBBMV-HNNXBMFYSA-N 2 0 343.309 3.204 20 0 EGADRP CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000120379288 1293318561 /nfs/dbraw/zinc/31/85/61/1293318561.db2.gz LJEDVVHJJVNQNR-WBVHZDCISA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120641462 1293332107 /nfs/dbraw/zinc/33/21/07/1293332107.db2.gz JXIIJZYZFITMIY-KKSFZXQISA-N 2 0 342.458 3.113 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)nc2)[C@H](C)C1 ZINC000122735739 1293423094 /nfs/dbraw/zinc/42/30/94/1293423094.db2.gz FTYDOLAHTVJRDN-NVXWUHKLSA-N 2 0 339.911 3.004 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000151001521 1293902913 /nfs/dbraw/zinc/90/29/13/1293902913.db2.gz ANSPXPSCYUXEFU-ZDUSSCGKSA-N 2 0 339.530 3.318 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000157089054 1294168080 /nfs/dbraw/zinc/16/80/80/1294168080.db2.gz SOEQKUJTFXICRA-GJZGRUSLSA-N 2 0 331.460 3.024 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000161137933 1294285538 /nfs/dbraw/zinc/28/55/38/1294285538.db2.gz KTLQKSKGVDWLJW-APWZRJJASA-N 2 0 346.475 3.026 20 0 EGADRP C[C@H](C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C[NH+]1CCCC1 ZINC000165314231 1294357962 /nfs/dbraw/zinc/35/79/62/1294357962.db2.gz HECDSYHNZSZJGG-GOSISDBHSA-N 3 0 344.547 3.043 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000182759805 1295072410 /nfs/dbraw/zinc/07/24/10/1295072410.db2.gz VDQFNNBWPBLDBS-OAQYLSRUSA-N 2 0 343.515 3.426 20 0 EGADRP CCCCC[C@H](C)NC(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675061 1295278938 /nfs/dbraw/zinc/27/89/38/1295278938.db2.gz FHYWCUWUBLJLGP-OKZBNKHCSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749370 1295283826 /nfs/dbraw/zinc/28/38/26/1295283826.db2.gz PMJZVDIELTZMNA-RFUYNDQBSA-N 2 0 338.442 3.241 20 0 EGADRP CC(=O)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185767772 1295284957 /nfs/dbraw/zinc/28/49/57/1295284957.db2.gz DHNSDLFEBGDRQZ-CRAIPNDOSA-N 2 0 330.472 3.355 20 0 EGADRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000187187673 1295374611 /nfs/dbraw/zinc/37/46/11/1295374611.db2.gz UIVCZWKBHHHJQK-STQMWFEESA-N 2 0 341.293 3.456 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000870891678 1296131890 /nfs/dbraw/zinc/13/18/90/1296131890.db2.gz HPHFZXNGLADZOK-FFGOWVMKSA-N 2 0 343.515 3.015 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000236777792 1296202978 /nfs/dbraw/zinc/20/29/78/1296202978.db2.gz LXAUKHFIAHBHKD-MRXNPFEDSA-N 2 0 330.394 3.203 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237671824 1296256592 /nfs/dbraw/zinc/25/65/92/1296256592.db2.gz RARVIZCHMQHGHH-SQGPQFPESA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(F)nc1 ZINC000249457811 1296444577 /nfs/dbraw/zinc/44/45/77/1296444577.db2.gz OBJNZJMOCBSJPB-IGOJGBNBSA-N 2 0 327.447 3.467 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000304788362 1296944064 /nfs/dbraw/zinc/94/40/64/1296944064.db2.gz AYRPCAOFBWZMGK-DLBZAZTESA-N 2 0 341.540 3.486 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401852 1297069082 /nfs/dbraw/zinc/06/90/82/1297069082.db2.gz XIMKFXSBURFKHB-VAMGGRTRSA-N 2 0 328.500 3.446 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000311181312 1297106845 /nfs/dbraw/zinc/10/68/45/1297106845.db2.gz YTYWSOKWNXRMLL-OXJNMPFZSA-N 2 0 346.421 3.110 20 0 EGADRP C[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccc(F)cc2)O1 ZINC000873205603 1297349116 /nfs/dbraw/zinc/34/91/16/1297349116.db2.gz PNEHJHWRDSODFX-ACJLOTCBSA-N 2 0 346.471 3.495 20 0 EGADRP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210674 1297355672 /nfs/dbraw/zinc/35/56/72/1297355672.db2.gz NYNXITYQGVDXCL-VHRNVKJDSA-N 2 0 342.512 3.038 20 0 EGADRP CC[N@H+](CCOc1ccccc1OC)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211784 1297356049 /nfs/dbraw/zinc/35/60/49/1297356049.db2.gz BEQSELWQASGSNW-UHFFFAOYSA-N 2 0 346.496 3.303 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC[NH2+]CC1 ZINC000873270575 1297401729 /nfs/dbraw/zinc/40/17/29/1297401729.db2.gz XRJKOHLSGYRPTM-DOMZBBRYSA-N 2 0 337.305 3.284 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291701 1297414340 /nfs/dbraw/zinc/41/43/40/1297414340.db2.gz ICGQOYAGPVUIOV-APWZRJJASA-N 2 0 344.499 3.166 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291706 1297414431 /nfs/dbraw/zinc/41/44/31/1297414431.db2.gz IEPBJFKSBLJGEF-NVXWUHKLSA-N 2 0 328.456 3.112 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000386303248 1297588999 /nfs/dbraw/zinc/58/89/99/1297588999.db2.gz FZHNEBMTRUHXSC-RXVVDRJESA-N 2 0 342.458 3.361 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000387412770 1297595697 /nfs/dbraw/zinc/59/56/97/1297595697.db2.gz NARRJTYWNYLBIP-MRXNPFEDSA-N 2 0 330.394 3.201 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cccc2c1CC[NH2+]C2 ZINC000392770655 1297659753 /nfs/dbraw/zinc/65/97/53/1297659753.db2.gz JBWNCGOGZWLCGJ-UHFFFAOYSA-N 2 0 335.451 3.180 20 0 EGADRP CCC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398059426 1297713198 /nfs/dbraw/zinc/71/31/98/1297713198.db2.gz AXVJNWZAEJSQGT-NQIIRXRSSA-N 2 0 329.532 3.361 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405248648 1297763648 /nfs/dbraw/zinc/76/36/48/1297763648.db2.gz IQDUIYOFVVJYRX-GBESFXJTSA-N 2 0 327.516 3.147 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686219202 1298114919 /nfs/dbraw/zinc/11/49/19/1298114919.db2.gz XPOZDVJZYPRZOI-JKSUJKDBSA-N 2 0 341.540 3.342 20 0 EGADRP C[C@@H](CC[NH2+][C@H]1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC000700506787 1298176785 /nfs/dbraw/zinc/17/67/85/1298176785.db2.gz ARBZYIHPRGNLBT-LRDDRELGSA-N 2 0 325.294 3.236 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000724026659 1298342391 /nfs/dbraw/zinc/34/23/91/1298342391.db2.gz HETWHKCNEHFRMK-IXDOHACOSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000724026652 1298343508 /nfs/dbraw/zinc/34/35/08/1298343508.db2.gz HETWHKCNEHFRMK-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000746707776 1298646240 /nfs/dbraw/zinc/64/62/40/1298646240.db2.gz NZMJMNICXNXWJZ-FQEVSTJZSA-N 2 0 338.495 3.476 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876771136 1298974979 /nfs/dbraw/zinc/97/49/79/1298974979.db2.gz NCUGYBRLMAHRNM-INIZCTEOSA-N 2 0 341.540 3.201 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000876887301 1299049975 /nfs/dbraw/zinc/04/99/75/1299049975.db2.gz RAOYDLNICWDIIN-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000876887302 1299050361 /nfs/dbraw/zinc/05/03/61/1299050361.db2.gz RAOYDLNICWDIIN-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876943534 1299079558 /nfs/dbraw/zinc/07/95/58/1299079558.db2.gz QXJAESOVBYOODE-MRXNPFEDSA-N 2 0 333.476 3.465 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000876988562 1299102443 /nfs/dbraw/zinc/10/24/43/1299102443.db2.gz GSKCEOBAPUNWCK-INIZCTEOSA-N 2 0 339.524 3.003 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)o1 ZINC000877403856 1299281265 /nfs/dbraw/zinc/28/12/65/1299281265.db2.gz VDUXSOARRZBSDL-SFHVURJKSA-N 2 0 347.503 3.164 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCSC(C)(C)C)CC2)CC1 ZINC000878321763 1299915959 /nfs/dbraw/zinc/91/59/59/1299915959.db2.gz HGKKGJUKKHUUHX-UHFFFAOYSA-N 2 0 341.609 3.399 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759161692 1301030233 /nfs/dbraw/zinc/03/02/33/1301030233.db2.gz WYCBNASOXASPJP-MRXNPFEDSA-N 2 0 341.540 3.247 20 0 EGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759845018 1301173979 /nfs/dbraw/zinc/17/39/79/1301173979.db2.gz NRPDFXIJIANPPE-KRWDZBQOSA-N 2 0 328.859 3.176 20 0 EGADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cnc1Cl ZINC000760663954 1301316766 /nfs/dbraw/zinc/31/67/66/1301316766.db2.gz PUANKTSKLGUEAP-GJZGRUSLSA-N 2 0 325.884 3.022 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000882624917 1302038854 /nfs/dbraw/zinc/03/88/54/1302038854.db2.gz VCMFMIUYRWUIFU-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(-c2ccccc2)n1 ZINC000882941017 1302173778 /nfs/dbraw/zinc/17/37/78/1302173778.db2.gz GAIXSAPUQVHKRB-KRWDZBQOSA-N 2 0 326.488 3.390 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c3cc(OC)ccc32)C1 ZINC000765512413 1302276432 /nfs/dbraw/zinc/27/64/32/1302276432.db2.gz BTLQCOLDVHVPBB-KRWDZBQOSA-N 2 0 343.471 3.181 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000765771470 1302321637 /nfs/dbraw/zinc/32/16/37/1302321637.db2.gz RIGWWLGEEAXDLF-MRXNPFEDSA-N 2 0 329.488 3.196 20 0 EGADRP c1ccc(CCN2CCC([NH2+]C[C@@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000883356043 1302409806 /nfs/dbraw/zinc/40/98/06/1302409806.db2.gz DDLCLDOXYXKZPV-FQEVSTJZSA-N 2 0 328.500 3.385 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H](Cn2ccnc2)c2ccccc2)cn1 ZINC000883388091 1302425695 /nfs/dbraw/zinc/42/56/95/1302425695.db2.gz LWYDAOSYBWPVAC-QFBILLFUSA-N 2 0 336.439 3.249 20 0 EGADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000768092478 1302822977 /nfs/dbraw/zinc/82/29/77/1302822977.db2.gz YRBVOXIPNMSJLU-IBGZPJMESA-N 2 0 345.531 3.078 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)cc1 ZINC000769462735 1303118643 /nfs/dbraw/zinc/11/86/43/1303118643.db2.gz JGDQHZIOPQDCQU-UHFFFAOYSA-N 2 0 335.492 3.095 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885923735 1303278299 /nfs/dbraw/zinc/27/82/99/1303278299.db2.gz BUXJOZHTHDCDLU-CEXWTWQISA-N 2 0 338.536 3.062 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000886081130 1303350038 /nfs/dbraw/zinc/35/00/38/1303350038.db2.gz JHEQMBMXAGXKMC-ZIBCJSCZSA-N 2 0 346.515 3.023 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000886500484 1303478206 /nfs/dbraw/zinc/47/82/06/1303478206.db2.gz XQPJEAYUJVPNQT-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000886506244 1303480167 /nfs/dbraw/zinc/48/01/67/1303480167.db2.gz IDGJUDHWAPYNCX-KLAILNCOSA-N 2 0 347.469 3.257 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CCC(C)([NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000886610362 1303522436 /nfs/dbraw/zinc/52/24/36/1303522436.db2.gz ABJQIZXWJXSFBF-VPRPLRRXSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1 ZINC000778214004 1304421170 /nfs/dbraw/zinc/42/11/70/1304421170.db2.gz RCLJIVPRNAZTSP-NRFANRHFSA-N 2 0 342.483 3.014 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000779385649 1304564785 /nfs/dbraw/zinc/56/47/85/1304564785.db2.gz SOPOZCGTTKNOOJ-STQMWFEESA-N 2 0 346.462 3.252 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000780303081 1304674235 /nfs/dbraw/zinc/67/42/35/1304674235.db2.gz DGEJPMCTHUCSBB-FQEVSTJZSA-N 2 0 341.543 3.207 20 0 EGADRP CN(Cc1ccnc(N(C)C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000782174494 1304925511 /nfs/dbraw/zinc/92/55/11/1304925511.db2.gz GWVPIOTZVMKHQK-HXUWFJFHSA-N 2 0 338.499 3.102 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000782183441 1304926558 /nfs/dbraw/zinc/92/65/58/1304926558.db2.gz LPRJMSYLFWBXSO-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2NCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000892335566 1305321794 /nfs/dbraw/zinc/32/17/94/1305321794.db2.gz UTTKGUADVQBRRI-CALCHBBNSA-N 2 0 331.504 3.050 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000785441180 1305351793 /nfs/dbraw/zinc/35/17/93/1305351793.db2.gz GTWYQIOPMZOJQO-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP CC(C)([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000785601630 1305390640 /nfs/dbraw/zinc/39/06/40/1305390640.db2.gz LYVUPPQRWBQCOP-UHFFFAOYSA-N 2 0 346.515 3.456 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000892570061 1305445041 /nfs/dbraw/zinc/44/50/41/1305445041.db2.gz HJFNJEORFXDQFJ-MSOLQXFVSA-N 2 0 334.504 3.202 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000892614756 1305472917 /nfs/dbraw/zinc/47/29/17/1305472917.db2.gz SZZOCKPLVJWUQU-GOSISDBHSA-N 2 0 347.503 3.143 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000893048871 1305680774 /nfs/dbraw/zinc/68/07/74/1305680774.db2.gz UFWTYODKHXAUOW-UHFFFAOYSA-N 2 0 341.455 3.314 20 0 EGADRP CC(C)c1nnc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000893305502 1305815684 /nfs/dbraw/zinc/81/56/84/1305815684.db2.gz SWNDSAGLFFNJJS-UHFFFAOYSA-N 2 0 331.489 3.063 20 0 EGADRP CC[C@H]1Oc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2NC1=O ZINC000893356142 1305847282 /nfs/dbraw/zinc/84/72/82/1305847282.db2.gz KAZKIXXWSZBTOH-VONXNBHVSA-N 2 0 343.471 3.072 20 0 EGADRP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093731 1306214905 /nfs/dbraw/zinc/21/49/05/1306214905.db2.gz HNLAUKYGFDTAHI-XLIONFOSSA-N 2 0 325.500 3.493 20 0 EGADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000894099802 1306219026 /nfs/dbraw/zinc/21/90/26/1306219026.db2.gz BYZQXFQHEOMTGZ-QGZVFWFLSA-N 2 0 331.504 3.376 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1nccc2ccccc21 ZINC000894208865 1306278512 /nfs/dbraw/zinc/27/85/12/1306278512.db2.gz MHJPEHHFNRXNDR-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCC[NH+](C)C ZINC000791874913 1309082020 /nfs/dbraw/zinc/08/20/20/1309082020.db2.gz HLRGBXZQQHGZLO-KRWDZBQOSA-N 2 0 348.487 3.048 20 0 EGADRP Cc1ccc(C2=NO[C@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1C ZINC000895501682 1309376706 /nfs/dbraw/zinc/37/67/06/1309376706.db2.gz JFQVCZFWHVYIHL-IBGZPJMESA-N 2 0 327.472 3.013 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895693991 1309469240 /nfs/dbraw/zinc/46/92/40/1309469240.db2.gz OMOOGXYVVMEUMT-LPHOPBHVSA-N 2 0 338.499 3.155 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000895959337 1309613730 /nfs/dbraw/zinc/61/37/30/1309613730.db2.gz XUMRASNNSIBWFD-SFHVURJKSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000798526289 1310381831 /nfs/dbraw/zinc/38/18/31/1310381831.db2.gz CCWLZARXIKRVPK-CTNGQTDRSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000798526292 1310381970 /nfs/dbraw/zinc/38/19/70/1310381970.db2.gz CCWLZARXIKRVPK-TZIWHRDSSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001018968217 1316989417 /nfs/dbraw/zinc/98/94/17/1316989417.db2.gz YGOIRMSMOSDADA-ROUUACIJSA-N 2 0 349.544 3.010 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001019032315 1317014824 /nfs/dbraw/zinc/01/48/24/1317014824.db2.gz PNXJLGODPWQRLT-LSTHTHJFSA-N 2 0 345.531 3.402 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019044047 1317020628 /nfs/dbraw/zinc/02/06/28/1317020628.db2.gz NVDDQWCSSVNHHY-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000929726691 1328679995 /nfs/dbraw/zinc/67/99/95/1328679995.db2.gz ZXFMIKQXTXKBIU-UHFFFAOYSA-N 2 0 347.503 3.210 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000957278096 1317256603 /nfs/dbraw/zinc/25/66/03/1317256603.db2.gz FARRYQVHHBBJDT-ZWKOTPCHSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001019822764 1317440256 /nfs/dbraw/zinc/44/02/56/1317440256.db2.gz AMMCISRRIFSMJN-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957560226 1317457661 /nfs/dbraw/zinc/45/76/61/1317457661.db2.gz UXCYRGZHNPWHMM-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)CC1 ZINC000957573342 1317470643 /nfs/dbraw/zinc/47/06/43/1317470643.db2.gz TUOMVDWOITVQFF-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCNc1ccccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000902078844 1317518331 /nfs/dbraw/zinc/51/83/31/1317518331.db2.gz PQYAUAHZBHDZHT-UHFFFAOYSA-N 2 0 327.472 3.349 20 0 EGADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)ccc2NC1=O ZINC000902333180 1317564578 /nfs/dbraw/zinc/56/45/78/1317564578.db2.gz HUEGOBZFQXCZED-QRTARXTBSA-N 2 0 345.487 3.225 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1)c1ccccc1 ZINC001020156707 1317567303 /nfs/dbraw/zinc/56/73/03/1317567303.db2.gz XKHQVHLWOIQNEV-BHIYHBOVSA-N 2 0 343.515 3.249 20 0 EGADRP CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000957725602 1317591117 /nfs/dbraw/zinc/59/11/17/1317591117.db2.gz AUVGUQAENLDXFS-LYBXBRPPSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000957753396 1317622319 /nfs/dbraw/zinc/62/23/19/1317622319.db2.gz MWGBFOLTCYYESQ-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001020289268 1317628005 /nfs/dbraw/zinc/62/80/05/1317628005.db2.gz WHQPUYDHQBUYCI-WTGUMLROSA-N 2 0 345.531 3.131 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001020289326 1317628139 /nfs/dbraw/zinc/62/81/39/1317628139.db2.gz XYVYBNYESACPTB-UAFMIMERSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020297313 1317633147 /nfs/dbraw/zinc/63/31/47/1317633147.db2.gz HBWJHZAXIJCZJQ-MGHWNKPDSA-N 2 0 349.906 3.122 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001020297765 1317633591 /nfs/dbraw/zinc/63/35/91/1317633591.db2.gz YKHRHIYYNQAUFJ-YRBFXIGRSA-N 2 0 349.906 3.122 20 0 EGADRP CCO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000903050131 1317642988 /nfs/dbraw/zinc/64/29/88/1317642988.db2.gz RLKWDWKJNKRTNJ-UXHICEINSA-N 2 0 331.504 3.231 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903058475 1317644169 /nfs/dbraw/zinc/64/41/69/1317644169.db2.gz QXDHIENPTFQIEM-JLYLLQBASA-N 2 0 338.499 3.482 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903075419 1317647852 /nfs/dbraw/zinc/64/78/52/1317647852.db2.gz VNQIKWPIBNCSRV-CTXDPNEZSA-N 2 0 347.547 3.161 20 0 EGADRP c1cc(N2CCCCC2)ncc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903073696 1317648481 /nfs/dbraw/zinc/64/84/81/1317648481.db2.gz PTQBRTCAMRVLQG-CTXDPNEZSA-N 2 0 340.515 3.319 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1OC ZINC000903093242 1317652294 /nfs/dbraw/zinc/65/22/94/1317652294.db2.gz QQJVEEXHKBNXDG-DJXYKJKZSA-N 2 0 344.499 3.382 20 0 EGADRP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)s1 ZINC000903119573 1317657037 /nfs/dbraw/zinc/65/70/37/1317657037.db2.gz TWPVPYQIKJYRTR-LRMKFPBYSA-N 2 0 336.545 3.495 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000903165470 1317666237 /nfs/dbraw/zinc/66/62/37/1317666237.db2.gz UIZKRBFRKYKIKL-UHFFFAOYSA-N 2 0 332.414 3.063 20 0 EGADRP C[C@@H]1C[C@@H](NCc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000903201952 1317673016 /nfs/dbraw/zinc/67/30/16/1317673016.db2.gz RZIPUCXLPVZJCC-MJGOQNOKSA-N 2 0 338.499 3.290 20 0 EGADRP COCCCC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725699 1317725439 /nfs/dbraw/zinc/72/54/39/1317725439.db2.gz FTGQGVRVNWBNNX-FQEVSTJZSA-N 2 0 346.515 3.074 20 0 EGADRP CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)Cc1ccc(OC)cc1 ZINC000903723585 1317725615 /nfs/dbraw/zinc/72/56/15/1317725615.db2.gz IVQGYXZQXSJQGH-XLIONFOSSA-N 2 0 346.515 3.107 20 0 EGADRP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725293 1317725866 /nfs/dbraw/zinc/72/58/66/1317725866.db2.gz ASIFAOTYLJAFNR-PCCBWWKXSA-N 2 0 328.500 3.018 20 0 EGADRP Fc1ccc(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903729186 1317727109 /nfs/dbraw/zinc/72/71/09/1317727109.db2.gz KJYAJVXKEOFLQH-LJQANCHMSA-N 2 0 332.463 3.164 20 0 EGADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780764 1317731567 /nfs/dbraw/zinc/73/15/67/1317731567.db2.gz LDRJPTJZSCHZOL-LVCYWYKZSA-N 2 0 344.499 3.033 20 0 EGADRP C(=C\[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)\c1ccccc1 ZINC000903788458 1317733775 /nfs/dbraw/zinc/73/37/75/1317733775.db2.gz LJFQPZBPEBVYAB-MITRTKIPSA-N 2 0 326.484 3.323 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001020511968 1317735244 /nfs/dbraw/zinc/73/52/44/1317735244.db2.gz IOCZUTUZHYNEDT-DLRXZHIHSA-N 2 0 343.515 3.023 20 0 EGADRP C[N@H+](Cc1ccc(Br)o1)Cc1cccc2c1CC[NH2+]C2 ZINC000903879588 1317740832 /nfs/dbraw/zinc/74/08/32/1317740832.db2.gz FBRJEDZMYBWXEY-UHFFFAOYSA-N 2 0 335.245 3.320 20 0 EGADRP Fc1ccc2c(c1)CCN2C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903917763 1317748947 /nfs/dbraw/zinc/74/89/47/1317748947.db2.gz NGBBUHPEIWWEEE-QNBRMCRTSA-N 2 0 343.490 3.183 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000903938901 1317751896 /nfs/dbraw/zinc/75/18/96/1317751896.db2.gz PRZRAZSCGITZTR-UHFFFAOYSA-N 2 0 337.208 3.268 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC001020587462 1317792131 /nfs/dbraw/zinc/79/21/31/1317792131.db2.gz HBPJCOGPPBVPPL-NCXUSEDFSA-N 2 0 343.515 3.086 20 0 EGADRP COc1ccc([C@@H](CNC[C@]2(C)CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000904364925 1317837382 /nfs/dbraw/zinc/83/73/82/1317837382.db2.gz UHDNZRKUIXFYLO-NHCUHLMSSA-N 2 0 345.531 3.202 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904410317 1317843158 /nfs/dbraw/zinc/84/31/58/1317843158.db2.gz OFXAWEDURXQACM-LJQANCHMSA-N 2 0 326.488 3.027 20 0 EGADRP CCn1nc(C)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1C ZINC000904458992 1317851058 /nfs/dbraw/zinc/85/10/58/1317851058.db2.gz LXTMRASJCSSAER-UHFFFAOYSA-N 2 0 326.488 3.012 20 0 EGADRP CCC[C@@](C)([NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C)c1ccccc1 ZINC000904469599 1317851962 /nfs/dbraw/zinc/85/19/62/1317851962.db2.gz NMLMWBPTXZBIQC-YLJYHZDGSA-N 2 0 328.504 3.151 20 0 EGADRP CC(C)C[C@H]([NH3+])Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904577205 1317865498 /nfs/dbraw/zinc/86/54/98/1317865498.db2.gz PTWSQIHZHYEQFE-KRWDZBQOSA-N 2 0 328.460 3.248 20 0 EGADRP C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+](C2CCC2)C1 ZINC000904595350 1317867608 /nfs/dbraw/zinc/86/76/08/1317867608.db2.gz BGPSIILFXLRTEM-HNNXBMFYSA-N 2 0 344.503 3.219 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000904652425 1317876361 /nfs/dbraw/zinc/87/63/61/1317876361.db2.gz BJJJRBQBKXBOLT-UHFFFAOYSA-N 2 0 332.492 3.313 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccccc1C[NH3+] ZINC000904658225 1317877537 /nfs/dbraw/zinc/87/75/37/1317877537.db2.gz FOGXEGWTNSECFO-UHFFFAOYSA-N 2 0 340.471 3.261 20 0 EGADRP COc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c(OC)c1 ZINC000904889264 1317907856 /nfs/dbraw/zinc/90/78/56/1317907856.db2.gz ZQUADUGQUGTZMT-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC001020818019 1317947290 /nfs/dbraw/zinc/94/72/90/1317947290.db2.gz GFDNUADNCXNCOJ-YRPNKDGESA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001021089399 1318077077 /nfs/dbraw/zinc/07/70/77/1318077077.db2.gz BZJQHADPHRSCDI-HNBVOPMISA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001021380361 1318221655 /nfs/dbraw/zinc/22/16/55/1318221655.db2.gz BUSYVORMZLTOGR-VOBGVNJCSA-N 2 0 345.531 3.083 20 0 EGADRP C[C@@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000908501872 1318356485 /nfs/dbraw/zinc/35/64/85/1318356485.db2.gz JMQSIYIMVRYXEQ-BBWFWOEESA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691358 1318567306 /nfs/dbraw/zinc/56/73/06/1318567306.db2.gz OWGRJICDVZMDNS-PMACEKPBSA-N 2 0 343.515 3.083 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858490590 1328777266 /nfs/dbraw/zinc/77/72/66/1328777266.db2.gz KBYNQXBNQVPWHW-SJORKVTESA-N 2 0 329.488 3.196 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001022069972 1318788902 /nfs/dbraw/zinc/78/89/02/1318788902.db2.gz PUYJDZGAIZMPFA-LMCOJAPRSA-N 2 0 343.515 3.166 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001022077474 1318791835 /nfs/dbraw/zinc/79/18/35/1318791835.db2.gz POYWGWSVACEQOD-ZRNYENFQSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960687265 1318792229 /nfs/dbraw/zinc/79/22/29/1318792229.db2.gz ZKOFKMQANSQIJN-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C)CC1CCCCCC1 ZINC000960712807 1318818931 /nfs/dbraw/zinc/81/89/31/1318818931.db2.gz UYQAEFRWYZYKBF-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022155595 1318823777 /nfs/dbraw/zinc/82/37/77/1318823777.db2.gz KVKVZSCYZKEACN-IYBDPMFKSA-N 2 0 349.544 3.096 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022195583 1318837894 /nfs/dbraw/zinc/83/78/94/1318837894.db2.gz DKCBDAZUMGJMEZ-SLFFLAALSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001022200872 1318838343 /nfs/dbraw/zinc/83/83/43/1318838343.db2.gz ASWBZCYVQNPBDF-NSHGMRRFSA-N 2 0 345.531 3.131 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001022202172 1318840883 /nfs/dbraw/zinc/84/08/83/1318840883.db2.gz SIPOPPUMBHMPFV-NSHGMRRFSA-N 2 0 347.547 3.211 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022585003 1319003961 /nfs/dbraw/zinc/00/39/61/1319003961.db2.gz INXQJHJYFMCZJX-AQNXPRMDSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960914626 1319060552 /nfs/dbraw/zinc/06/05/52/1319060552.db2.gz ISIAXIAHTZMKQY-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022807736 1319119047 /nfs/dbraw/zinc/11/90/47/1319119047.db2.gz MNANXXGIIBPDGN-ZCNNSNEGSA-N 2 0 349.563 3.457 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001022809877 1319120135 /nfs/dbraw/zinc/12/01/35/1319120135.db2.gz WYYROWAKHWBEGG-FFZOFVMBSA-N 2 0 343.515 3.025 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000961033363 1319157573 /nfs/dbraw/zinc/15/75/73/1319157573.db2.gz ZDHUEVJIXAXPHV-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022975633 1319197943 /nfs/dbraw/zinc/19/79/43/1319197943.db2.gz PVRPWQDQZGRMPD-VNTMZGSJSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022975535 1319198165 /nfs/dbraw/zinc/19/81/65/1319198165.db2.gz OBRDFXXQZMZQEA-VNTMZGSJSA-N 2 0 347.547 3.234 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000961170694 1319288604 /nfs/dbraw/zinc/28/86/04/1319288604.db2.gz QVBWEORPMJEXHO-HZPDHXFCSA-N 2 0 349.544 3.004 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817286001 1319314558 /nfs/dbraw/zinc/31/45/58/1319314558.db2.gz OXYIUESCHWDLBZ-INIZCTEOSA-N 2 0 348.362 3.062 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281773 1319438073 /nfs/dbraw/zinc/43/80/73/1319438073.db2.gz IDKJCWWENKKCBA-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000817894838 1319453322 /nfs/dbraw/zinc/45/33/22/1319453322.db2.gz QQYNYQITRFHYTM-VLIAUNLRSA-N 2 0 343.471 3.020 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000817890800 1319453410 /nfs/dbraw/zinc/45/34/10/1319453410.db2.gz ZJPJBRUXBVVGAH-RKTXRCNFSA-N 2 0 342.405 3.249 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902229 1319454873 /nfs/dbraw/zinc/45/48/73/1319454873.db2.gz LLPLSLZTBWHQQA-YRNRMSPPSA-N 2 0 328.456 3.014 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)c1c(Cl)cccc1Cl ZINC000817919496 1319459172 /nfs/dbraw/zinc/45/91/72/1319459172.db2.gz RVHFKEWGMPYOTR-GFLODWSFSA-N 2 0 329.271 3.288 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000817917859 1319459948 /nfs/dbraw/zinc/45/99/48/1319459948.db2.gz UHGBGMTZFYRLFX-VIBAHUMZSA-N 2 0 340.870 3.413 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817918345 1319459968 /nfs/dbraw/zinc/45/99/68/1319459968.db2.gz ZBUKLVOEBMOEEI-DYZYQPBXSA-N 2 0 337.826 3.025 20 0 EGADRP CCC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@@H](O)c1ccccc1 ZINC000817927110 1319463816 /nfs/dbraw/zinc/46/38/16/1319463816.db2.gz FYEROWWIZNGYIF-YSSFQJQWSA-N 2 0 327.472 3.402 20 0 EGADRP COc1ccc([C@H](C)N[C@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817939815 1319469052 /nfs/dbraw/zinc/46/90/52/1319469052.db2.gz CPTMNOJKKXNDCX-LPHOPBHVSA-N 2 0 331.504 3.084 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817965651 1319479276 /nfs/dbraw/zinc/47/92/76/1319479276.db2.gz YWUOFZIWERPYBV-JTQLQIEISA-N 2 0 330.245 3.024 20 0 EGADRP COc1cccc2c1OC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C2 ZINC000817983812 1319485448 /nfs/dbraw/zinc/48/54/48/1319485448.db2.gz QVMQCZOUZUZDOJ-ZWKOTPCHSA-N 2 0 326.440 3.069 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1)[NH+](C)C ZINC000961377422 1319535027 /nfs/dbraw/zinc/53/50/27/1319535027.db2.gz IMZGIEBPCRYSSV-WOJBJXKFSA-N 2 0 349.563 3.243 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469766 1319567905 /nfs/dbraw/zinc/56/79/05/1319567905.db2.gz NGWUUPTVGJNKTJ-QGZVFWFLSA-N 2 0 342.487 3.212 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccccc1F ZINC000818942658 1319582552 /nfs/dbraw/zinc/58/25/52/1319582552.db2.gz HJDOXCSGIBHZPM-FQEVSTJZSA-N 2 0 328.431 3.245 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1c(F)cccc1F ZINC000818954545 1319587572 /nfs/dbraw/zinc/58/75/72/1319587572.db2.gz XCSZZEKMSCGDCR-IBGZPJMESA-N 2 0 346.421 3.384 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000818959885 1319591129 /nfs/dbraw/zinc/59/11/29/1319591129.db2.gz VITZEQSGBWTFRL-GOSISDBHSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000818959953 1319591177 /nfs/dbraw/zinc/59/11/77/1319591177.db2.gz BIBLIENODWJYEO-SPYBWZPUSA-N 2 0 340.458 3.346 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000818981743 1319603425 /nfs/dbraw/zinc/60/34/25/1319603425.db2.gz XZLWOXUBLCTNAV-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001023569881 1319685103 /nfs/dbraw/zinc/68/51/03/1319685103.db2.gz VRZJBBFZPCEUNX-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820812926 1319959633 /nfs/dbraw/zinc/95/96/33/1319959633.db2.gz VNGVXIQYFDESDQ-CQSZACIVSA-N 2 0 333.476 3.018 20 0 EGADRP C[N@H+](Cc1ccc2nonc2c1)C1CCN(Cc2ccccc2)CC1 ZINC000821391130 1320010246 /nfs/dbraw/zinc/01/02/46/1320010246.db2.gz HYLRWXNDIGJGFH-UHFFFAOYSA-N 2 0 336.439 3.319 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000822455950 1320084016 /nfs/dbraw/zinc/08/40/16/1320084016.db2.gz NGBDAMNVNXKBFS-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000822766527 1320121591 /nfs/dbraw/zinc/12/15/91/1320121591.db2.gz SPBNESOFCKJLTL-PBHICJAKSA-N 2 0 326.444 3.393 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000840807826 1321153462 /nfs/dbraw/zinc/15/34/62/1321153462.db2.gz GODJICXUIKAHNX-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)ccc1OC(F)F ZINC000841034104 1321205180 /nfs/dbraw/zinc/20/51/80/1321205180.db2.gz AVMYLBYRPWHPEW-UHFFFAOYSA-N 2 0 336.382 3.088 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)oc21 ZINC000841099390 1321217956 /nfs/dbraw/zinc/21/79/56/1321217956.db2.gz JUXYHMDDPOIRFX-MJGOQNOKSA-N 2 0 344.455 3.160 20 0 EGADRP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841690456 1321297625 /nfs/dbraw/zinc/29/76/25/1321297625.db2.gz VUXFRRBUJUCUAJ-QKLQHJQFSA-N 2 0 349.519 3.007 20 0 EGADRP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000842473231 1321393285 /nfs/dbraw/zinc/39/32/85/1321393285.db2.gz RJPOZKNVJVXGEM-SFHVURJKSA-N 2 0 347.503 3.316 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2cc1C ZINC000842474216 1321393539 /nfs/dbraw/zinc/39/35/39/1321393539.db2.gz KIRYPKFPHUDFNJ-APWZRJJASA-N 2 0 340.467 3.374 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474684 1321393592 /nfs/dbraw/zinc/39/35/92/1321393592.db2.gz WUDSIEGLSACBAB-APWZRJJASA-N 2 0 340.467 3.319 20 0 EGADRP COc1cc(C[NH2+]C2CCC([NH3+])CC2)ccc1OCc1ccncc1 ZINC000843104073 1321470524 /nfs/dbraw/zinc/47/05/24/1321470524.db2.gz FYULWBNWZFATKW-UHFFFAOYSA-N 2 0 341.455 3.029 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000843104930 1321471269 /nfs/dbraw/zinc/47/12/69/1321471269.db2.gz OUZHAPRSMPGXKB-JCYILVPMSA-N 2 0 338.879 3.257 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCCCCC[NH3+] ZINC000843129381 1321474524 /nfs/dbraw/zinc/47/45/24/1321474524.db2.gz SXMDHBBJAKNCFI-UHFFFAOYSA-N 2 0 328.504 3.465 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000843182080 1321482971 /nfs/dbraw/zinc/48/29/71/1321482971.db2.gz WBLUQSGMTSBRSK-KRWDZBQOSA-N 2 0 338.455 3.190 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(C[C@H]4CCC[NH2+]4)n3)cc2)CC1 ZINC000843200161 1321486706 /nfs/dbraw/zinc/48/67/06/1321486706.db2.gz LKKHYPKYRQXKNA-GOSISDBHSA-N 2 0 340.471 3.263 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000843349300 1321503557 /nfs/dbraw/zinc/50/35/57/1321503557.db2.gz SPBZELGLLPALKF-OAHLLOKOSA-N 2 0 331.504 3.243 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000843353204 1321504479 /nfs/dbraw/zinc/50/44/79/1321504479.db2.gz UUCWEMBXKKOYLT-UHFFFAOYSA-N 2 0 328.456 3.231 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000843354061 1321505043 /nfs/dbraw/zinc/50/50/43/1321505043.db2.gz VFGLRCWTIKVENY-APMMTJHUSA-N 2 0 339.483 3.219 20 0 EGADRP COc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1SC(F)(F)F ZINC000843362894 1321506758 /nfs/dbraw/zinc/50/67/58/1321506758.db2.gz UIBOTWRBGIHHAK-ZYHUDNBSSA-N 2 0 334.407 3.476 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2cc1C ZINC000843387217 1321509352 /nfs/dbraw/zinc/50/93/52/1321509352.db2.gz FQHDRVCXGLNTLE-SJORKVTESA-N 2 0 340.467 3.231 20 0 EGADRP Cc1cc2oc(=O)cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c2cc1C ZINC000843385340 1321509901 /nfs/dbraw/zinc/50/99/01/1321509901.db2.gz BLMNMZBJLGADAC-KRWDZBQOSA-N 2 0 340.467 3.231 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000843386872 1321509939 /nfs/dbraw/zinc/50/99/39/1321509939.db2.gz DOCISLPFVFNXDP-IAGOWNOFSA-N 2 0 340.467 3.231 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844699587 1321638154 /nfs/dbraw/zinc/63/81/54/1321638154.db2.gz VOULSIYCRHGIEG-SFHVURJKSA-N 2 0 347.547 3.466 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000844926385 1321659582 /nfs/dbraw/zinc/65/95/82/1321659582.db2.gz YWNOKISAYJFHIS-ZDUSSCGKSA-N 2 0 343.402 3.092 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](CO)CCF)cc1C[NH+]1CCCCC1 ZINC000846210030 1321776000 /nfs/dbraw/zinc/77/60/00/1321776000.db2.gz WGWWQQHFMKJQMU-QAPCUYQASA-N 2 0 338.467 3.052 20 0 EGADRP C[N@H+](CCCCCC[NH3+])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000846218928 1321777602 /nfs/dbraw/zinc/77/76/02/1321777602.db2.gz ZICMOLNEBLIKHM-HOTGVXAUSA-N 2 0 331.287 3.402 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=[NH2+])NCC2CCC2)c2ccccc2)CC1 ZINC000849065033 1322063916 /nfs/dbraw/zinc/06/39/16/1322063916.db2.gz KJEMUDSJWWEDIK-LJQANCHMSA-N 2 0 328.504 3.374 20 0 EGADRP [NH2+]=C(NCCC[NH+]1CCCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082578 1322070714 /nfs/dbraw/zinc/07/07/14/1322070714.db2.gz HLVOWRMSWXBBBL-UHFFFAOYSA-N 2 0 344.381 3.397 20 0 EGADRP CC[N@H+](CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000849084105 1322071919 /nfs/dbraw/zinc/07/19/19/1322071919.db2.gz XKJNSCWGHCTMNS-UHFFFAOYSA-N 2 0 330.354 3.006 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849101749 1322079325 /nfs/dbraw/zinc/07/93/25/1322079325.db2.gz KGNQHUGUPMOZHG-OAHLLOKOSA-N 2 0 342.409 3.194 20 0 EGADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000850399568 1322238214 /nfs/dbraw/zinc/23/82/14/1322238214.db2.gz MWYCPLHJEZRIMD-HEHGZKQESA-N 2 0 329.271 3.243 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483162 1322255447 /nfs/dbraw/zinc/25/54/47/1322255447.db2.gz NWYSMSIMPKSWSP-NRFANRHFSA-N 2 0 328.500 3.463 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@@H](C)C1 ZINC000850522840 1322260564 /nfs/dbraw/zinc/26/05/64/1322260564.db2.gz NPKYRNHXBJAFBA-JKSUJKDBSA-N 2 0 339.524 3.144 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)[C@@H](C)C1 ZINC000921748648 1322391699 /nfs/dbraw/zinc/39/16/99/1322391699.db2.gz ZAVONHSMQOFKAS-QKLQHJQFSA-N 2 0 346.515 3.237 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000921979535 1322434119 /nfs/dbraw/zinc/43/41/19/1322434119.db2.gz FYVTXIFIMSTXHI-SLFFLAALSA-N 2 0 348.556 3.407 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000921979536 1322434392 /nfs/dbraw/zinc/43/43/92/1322434392.db2.gz FYVTXIFIMSTXHI-VAMGGRTRSA-N 2 0 348.556 3.407 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363160 1322740373 /nfs/dbraw/zinc/74/03/73/1322740373.db2.gz VQURJSJLCMUALB-BHIFYINESA-N 2 0 338.495 3.065 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000923388679 1322744484 /nfs/dbraw/zinc/74/44/84/1322744484.db2.gz TUNVIRIYSHJIMN-UVBJJODRSA-N 2 0 329.271 3.088 20 0 EGADRP COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000923443630 1322752659 /nfs/dbraw/zinc/75/26/59/1322752659.db2.gz UGNADCKLCIPSAQ-QGZVFWFLSA-N 2 0 347.503 3.255 20 0 EGADRP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000923483142 1322760098 /nfs/dbraw/zinc/76/00/98/1322760098.db2.gz LZESVORLUAUWSV-CQSZACIVSA-N 2 0 331.485 3.380 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000924673829 1323105736 /nfs/dbraw/zinc/10/57/36/1323105736.db2.gz YSSAKSKTSATWIH-HLIPFELVSA-N 2 0 343.515 3.208 20 0 EGADRP CON1CCC([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000924677582 1323108660 /nfs/dbraw/zinc/10/86/60/1323108660.db2.gz YXEIVLSRDMPOHC-UHFFFAOYSA-N 2 0 331.504 3.034 20 0 EGADRP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1C ZINC000924687821 1323112340 /nfs/dbraw/zinc/11/23/40/1323112340.db2.gz PWTHLMXIGHJKOQ-IHWFROFDSA-N 2 0 345.531 3.053 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000924720214 1323132247 /nfs/dbraw/zinc/13/22/47/1323132247.db2.gz HEKMSSWNKHFFHF-GUXCAODWSA-N 2 0 349.494 3.103 20 0 EGADRP COc1ccccc1[C@@H]([NH2+]CCCCn1ccnc1)c1ccccn1 ZINC000924731125 1323137062 /nfs/dbraw/zinc/13/70/62/1323137062.db2.gz HYGYTKMTHPWCKZ-HXUWFJFHSA-N 2 0 336.439 3.446 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001024120100 1323149357 /nfs/dbraw/zinc/14/93/57/1323149357.db2.gz KHZITVNKFPIFBG-SXLOBPIMSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024156403 1323178180 /nfs/dbraw/zinc/17/81/80/1323178180.db2.gz MWNFOTBRGYSTHZ-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924851099 1323186933 /nfs/dbraw/zinc/18/69/33/1323186933.db2.gz CEELSNXYILIYQP-HNNXBMFYSA-N 2 0 339.524 3.096 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924913960 1323211357 /nfs/dbraw/zinc/21/13/57/1323211357.db2.gz ZHBNDCLKMKGDGX-MRXNPFEDSA-N 2 0 334.504 3.066 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000963155853 1323220402 /nfs/dbraw/zinc/22/04/02/1323220402.db2.gz CQOFNGVNBXFSRZ-CTWPCTMYSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924952236 1323226292 /nfs/dbraw/zinc/22/62/92/1323226292.db2.gz WRGDFQRIBCAJPS-NVXWUHKLSA-N 2 0 338.927 3.049 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000853106126 1323284067 /nfs/dbraw/zinc/28/40/67/1323284067.db2.gz QUIOWSQUAUKWJJ-FPOVZHCZSA-N 2 0 339.483 3.007 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440952 1323404843 /nfs/dbraw/zinc/40/48/43/1323404843.db2.gz VTKWIMAQEHJQEZ-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001024448040 1323407717 /nfs/dbraw/zinc/40/77/17/1323407717.db2.gz ASHSRZNRYUJHNY-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024524769 1323470534 /nfs/dbraw/zinc/47/05/34/1323470534.db2.gz ZWCUFYQWYGBOIV-OALUTQOASA-N 2 0 335.536 3.044 20 0 EGADRP CC1CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001024633898 1323560515 /nfs/dbraw/zinc/56/05/15/1323560515.db2.gz OJHPOACAZYVKGN-AFMYVXGZSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001024759530 1323660594 /nfs/dbraw/zinc/66/05/94/1323660594.db2.gz JJWMADJGRWZTKA-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1)C12CC[NH+](CC1)C2 ZINC001024760055 1323661476 /nfs/dbraw/zinc/66/14/76/1323661476.db2.gz PKVOSYJAAWGKEH-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024813339 1323716125 /nfs/dbraw/zinc/71/61/25/1323716125.db2.gz ZLZLTKPOMVLAGJ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024812699 1323716573 /nfs/dbraw/zinc/71/65/73/1323716573.db2.gz RJPIATGBRWLYDB-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001024976589 1323809405 /nfs/dbraw/zinc/80/94/05/1323809405.db2.gz ANLZZBXTHOFMML-KRWDZBQOSA-N 2 0 349.544 3.194 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025008777 1323824059 /nfs/dbraw/zinc/82/40/59/1323824059.db2.gz BGSWRELWGUDADV-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]2C1 ZINC000931432816 1329116216 /nfs/dbraw/zinc/11/62/16/1329116216.db2.gz GAHXKQDHURPGAD-CABCVRRESA-N 2 0 328.378 3.011 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001025056640 1323861563 /nfs/dbraw/zinc/86/15/63/1323861563.db2.gz QFINVLWBQWJFDT-RTBURBONSA-N 2 0 335.536 3.163 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001025087186 1323885654 /nfs/dbraw/zinc/88/56/54/1323885654.db2.gz WGDAEMKHWJJSFA-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025168431 1323937755 /nfs/dbraw/zinc/93/77/55/1323937755.db2.gz DLPMVQVSARGAOA-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279650 1324101887 /nfs/dbraw/zinc/10/18/87/1324101887.db2.gz FVOYQWWGDWNHHV-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475870 1324320952 /nfs/dbraw/zinc/32/09/52/1324320952.db2.gz VUJAJORDSUGJHS-AEFFLSMTSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001025525404 1324370997 /nfs/dbraw/zinc/37/09/97/1324370997.db2.gz NWARCPUFKMBELE-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001026465149 1324825143 /nfs/dbraw/zinc/82/51/43/1324825143.db2.gz KVTMBHISRMYLHL-CTWPCTMYSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026503833 1324853655 /nfs/dbraw/zinc/85/36/55/1324853655.db2.gz OLAJMAZXDAHJAD-DAWZGUTISA-N 2 0 349.544 3.140 20 0 EGADRP O=C(NC1CCC([NH2+]Cc2ccccc2)CC1)c1ccc2c[nH+]cn2c1 ZINC001026528799 1324869325 /nfs/dbraw/zinc/86/93/25/1324869325.db2.gz YHKBKXGSWNVLGR-UHFFFAOYSA-N 2 0 348.450 3.165 20 0 EGADRP O=C(N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001026939585 1325092278 /nfs/dbraw/zinc/09/22/78/1325092278.db2.gz LIKWSGITHPQNOR-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000963326744 1325110619 /nfs/dbraw/zinc/11/06/19/1325110619.db2.gz FRPNINKUPCNTLM-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000963331401 1325117062 /nfs/dbraw/zinc/11/70/62/1325117062.db2.gz KCDJNOBVIPCKNQ-LMDPOFIKSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000963337323 1325126721 /nfs/dbraw/zinc/12/67/21/1325126721.db2.gz NWRBQSYCENIXEU-APWZRJJASA-N 2 0 340.471 3.061 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000925475742 1325166568 /nfs/dbraw/zinc/16/65/68/1325166568.db2.gz HLNDIQFENWLCRA-SFHVURJKSA-N 2 0 326.440 3.418 20 0 EGADRP CN(C)[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000925482136 1325169605 /nfs/dbraw/zinc/16/96/05/1325169605.db2.gz LSIJSNZYQOSHCA-PMACEKPBSA-N 2 0 329.463 3.498 20 0 EGADRP COc1ccc(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1OC ZINC000925487321 1325172808 /nfs/dbraw/zinc/17/28/08/1325172808.db2.gz BZPIDPPRFOCJTB-GOSISDBHSA-N 2 0 328.456 3.316 20 0 EGADRP c1ccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc1 ZINC000925495295 1325176546 /nfs/dbraw/zinc/17/65/46/1325176546.db2.gz TWYCLIJLRYKVEG-VXKWHMMOSA-N 2 0 341.543 3.409 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383127 1325184033 /nfs/dbraw/zinc/18/40/33/1325184033.db2.gz MFEUQXLFLAAMLO-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963385292 1325185340 /nfs/dbraw/zinc/18/53/40/1325185340.db2.gz FRVTUZBAMQDVQQ-SOAGJPPSSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925512692 1325186115 /nfs/dbraw/zinc/18/61/15/1325186115.db2.gz ALZNGXCHDHAHIY-FGTMMUONSA-N 2 0 329.488 3.147 20 0 EGADRP CN(CC[NH2+][C@@H](CCC[NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000925529598 1325192726 /nfs/dbraw/zinc/19/27/26/1325192726.db2.gz FUIPDDHVLXYEEB-FQEVSTJZSA-N 2 0 329.463 3.327 20 0 EGADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000925542709 1325200541 /nfs/dbraw/zinc/20/05/41/1325200541.db2.gz OICBEPHAFORGGZ-HOJAQTOUSA-N 2 0 327.516 3.304 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001027070039 1325200668 /nfs/dbraw/zinc/20/06/68/1325200668.db2.gz HKQIEFRQUCBRKS-ICSRJNTNSA-N 2 0 345.531 3.088 20 0 EGADRP O=C1CCCN1c1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925546420 1325201663 /nfs/dbraw/zinc/20/16/63/1325201663.db2.gz HHFFXCSJNOVYBF-UXHICEINSA-N 2 0 341.499 3.071 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001027070444 1325201871 /nfs/dbraw/zinc/20/18/71/1325201871.db2.gz QZPNEWFBJWSOFK-XLIONFOSSA-N 2 0 345.531 3.088 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C12CCC2 ZINC000925568258 1325214776 /nfs/dbraw/zinc/21/47/76/1325214776.db2.gz NSZQUGLPORLONP-ZWKOTPCHSA-N 2 0 327.403 3.373 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000925587391 1325222375 /nfs/dbraw/zinc/22/23/75/1325222375.db2.gz YNUZXWITUZIYAD-GYABFAJESA-N 2 0 335.879 3.164 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001027105625 1325230463 /nfs/dbraw/zinc/23/04/63/1325230463.db2.gz OZOWIKZZMOLCLC-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cc(CO)on1 ZINC000925614775 1325231332 /nfs/dbraw/zinc/23/13/32/1325231332.db2.gz KOYXOWQIBNHADE-SOLBZPMBSA-N 2 0 343.471 3.118 20 0 EGADRP CCON1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000925613163 1325232143 /nfs/dbraw/zinc/23/21/43/1325232143.db2.gz AQPHQGZAHLUGHI-AZUAARDMSA-N 2 0 345.531 3.293 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426410 1325234298 /nfs/dbraw/zinc/23/42/98/1325234298.db2.gz AHQLDONPQMVHTN-WOJBJXKFSA-N 2 0 349.563 3.366 20 0 EGADRP FC(F)(F)CN1CCC(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925647005 1325246421 /nfs/dbraw/zinc/24/64/21/1325246421.db2.gz WQJOVMYZHLYJJQ-SJORKVTESA-N 2 0 347.469 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000963444217 1325251353 /nfs/dbraw/zinc/25/13/53/1325251353.db2.gz VRLLYJUIZIDMCA-MOPGFXCFSA-N 2 0 346.519 3.022 20 0 EGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925673041 1325256819 /nfs/dbraw/zinc/25/68/19/1325256819.db2.gz LTOKCRZXQCJFDC-YQVWRLOYSA-N 2 0 331.479 3.162 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000925676784 1325259013 /nfs/dbraw/zinc/25/90/13/1325259013.db2.gz PAGCYOHBBXQHHA-JEDRFMAYSA-N 3 0 341.543 3.394 20 0 EGADRP CNC(=O)CC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925715981 1325268997 /nfs/dbraw/zinc/26/89/97/1325268997.db2.gz MRDOVEZEGVWZCU-SFHVURJKSA-N 2 0 331.504 3.143 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000925732277 1325274694 /nfs/dbraw/zinc/27/46/94/1325274694.db2.gz XOMPZBBUYBQKCT-HKUYNNGSSA-N 2 0 332.875 3.486 20 0 EGADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000925741916 1325278607 /nfs/dbraw/zinc/27/86/07/1325278607.db2.gz WVRLRSPXAKGMNN-AWEZNQCLSA-N 2 0 338.517 3.181 20 0 EGADRP C[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000854676198 1325293423 /nfs/dbraw/zinc/29/34/23/1325293423.db2.gz GDAVVIGPNOAAMO-KURKYZTESA-N 2 0 349.563 3.361 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000925861179 1325334125 /nfs/dbraw/zinc/33/41/25/1325334125.db2.gz ODGIIIWSZFNSLM-JWFWCLOMSA-N 2 0 327.516 3.476 20 0 EGADRP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926258464 1325494369 /nfs/dbraw/zinc/49/43/69/1325494369.db2.gz RFSAUJXHGNCCTL-DYESRHJHSA-N 2 0 326.484 3.311 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000856762798 1325519911 /nfs/dbraw/zinc/51/99/11/1325519911.db2.gz WTWHZJCALZYYGD-IBGZPJMESA-N 2 0 343.515 3.098 20 0 EGADRP C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926588471 1327627644 /nfs/dbraw/zinc/62/76/44/1327627644.db2.gz WUDSTNQJZIDJMZ-DNVCBOLYSA-N 2 0 330.447 3.314 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001027418218 1327643317 /nfs/dbraw/zinc/64/33/17/1327643317.db2.gz UOZWZPKEDABQRN-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc(C[NH+](C)C)c1 ZINC000926659824 1327656321 /nfs/dbraw/zinc/65/63/21/1327656321.db2.gz IAPYYTGDFJBXTK-BEFAXECRSA-N 2 0 339.483 3.175 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001027459731 1327703932 /nfs/dbraw/zinc/70/39/32/1327703932.db2.gz AFEVXGRZTDTOQY-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001027461564 1327707325 /nfs/dbraw/zinc/70/73/25/1327707325.db2.gz MZQFTZHLEAOWCV-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027542372 1327844717 /nfs/dbraw/zinc/84/47/17/1327844717.db2.gz KWZAHCDFSUGXGY-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC001027576761 1327912718 /nfs/dbraw/zinc/91/27/18/1327912718.db2.gz WHFGWXVRASZJJM-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694488 1328100549 /nfs/dbraw/zinc/10/05/49/1328100549.db2.gz ZZFZJVPYYVYJSV-SFHVURJKSA-N 2 0 349.544 3.047 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027695367 1328102121 /nfs/dbraw/zinc/10/21/21/1328102121.db2.gz RZQYUVPUHYKLPH-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000928012314 1328171775 /nfs/dbraw/zinc/17/17/75/1328171775.db2.gz WOMNEBSPWHTMQO-UOODJLLFSA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027878854 1328345973 /nfs/dbraw/zinc/34/59/73/1328345973.db2.gz JGTAMKWMWJXHLG-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027918445 1328396060 /nfs/dbraw/zinc/39/60/60/1328396060.db2.gz NPNUVZMAANHHRT-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929847 1328408354 /nfs/dbraw/zinc/40/83/54/1328408354.db2.gz JXEWUBOUCHMETQ-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001027982535 1328455793 /nfs/dbraw/zinc/45/57/93/1328455793.db2.gz SNWPRGYUDMCNCH-MRXNPFEDSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027986380 1328457207 /nfs/dbraw/zinc/45/72/07/1328457207.db2.gz VRDIZUPSORNIHN-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2c(Cl)cncc2Cl)C[C@H](C)O1 ZINC000865470858 1329701945 /nfs/dbraw/zinc/70/19/45/1329701945.db2.gz HVSYDZNGAIGBAZ-STQMWFEESA-N 2 0 346.302 3.367 20 0 EGADRP CCn1cc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000865718464 1329732421 /nfs/dbraw/zinc/73/24/21/1329732421.db2.gz ZXCNIOFNWJBQGS-UHFFFAOYSA-N 2 0 326.488 3.295 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCCc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000866225996 1330080662 /nfs/dbraw/zinc/08/06/62/1330080662.db2.gz FNUXCDSOVXKZRL-UXHICEINSA-N 2 0 333.495 3.065 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000866231886 1330081544 /nfs/dbraw/zinc/08/15/44/1330081544.db2.gz BVENQKBUFWVJKM-FQEVSTJZSA-N 2 0 333.495 3.210 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)CC1(C)OCCO1 ZINC000866424198 1330110082 /nfs/dbraw/zinc/11/00/82/1330110082.db2.gz DINBPZMVLLANGT-YQVWRLOYSA-N 2 0 338.536 3.408 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000866666109 1330139085 /nfs/dbraw/zinc/13/90/85/1330139085.db2.gz NVGAAOOUCXXHGR-CVEARBPZSA-N 2 0 341.455 3.172 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747936 1331177842 /nfs/dbraw/zinc/17/78/42/1331177842.db2.gz SFQMMLNCEQSMJA-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257108 1331889923 /nfs/dbraw/zinc/88/99/23/1331889923.db2.gz JDCKHWFRZGCTQM-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557188 1331971781 /nfs/dbraw/zinc/97/17/81/1331971781.db2.gz CKKXCWUWUVRTAD-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC000947684708 1333222743 /nfs/dbraw/zinc/22/27/43/1333222743.db2.gz JNKCECVXNRZOFW-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947776453 1333258290 /nfs/dbraw/zinc/25/82/90/1333258290.db2.gz WFVIRFWEXDGUFI-QFBILLFUSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)[C@H](C)C2)CC1 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CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001028552167 1340696854 /nfs/dbraw/zinc/69/68/54/1340696854.db2.gz IFQNLAGRMDOGAN-SLFFLAALSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001028552566 1340697174 /nfs/dbraw/zinc/69/71/74/1340697174.db2.gz QGPMILFAQKXLLP-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CC[N@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001028647411 1340741996 /nfs/dbraw/zinc/74/19/96/1340741996.db2.gz GTASOXVXYHBZIE-INIZCTEOSA-N 2 0 342.487 3.131 20 0 EGADRP O=C(NC[C@@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028755637 1340791687 /nfs/dbraw/zinc/79/16/87/1340791687.db2.gz RDGJESNXGSELHW-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001028765699 1340798552 /nfs/dbraw/zinc/79/85/52/1340798552.db2.gz CKFFYFWDZANFFG-SXLOBPIMSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101654 1340930277 /nfs/dbraw/zinc/93/02/77/1340930277.db2.gz LUXMKZXIUIOKLM-SQGPQFPESA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001029111353 1340932434 /nfs/dbraw/zinc/93/24/34/1340932434.db2.gz GTBIZTHTFWJTHX-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001029134318 1340939305 /nfs/dbraw/zinc/93/93/05/1340939305.db2.gz SCZDRMPSMOGIRT-XLIONFOSSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029375057 1340980066 /nfs/dbraw/zinc/98/00/66/1340980066.db2.gz CZOXDCKOBIGCRN-OTWHNJEPSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674133 1341039693 /nfs/dbraw/zinc/03/96/93/1341039693.db2.gz CQMIKLYSSYGGAK-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001029753247 1341064284 /nfs/dbraw/zinc/06/42/84/1341064284.db2.gz BHUCUZGPGBQVHI-ZWKOTPCHSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001029910450 1341113587 /nfs/dbraw/zinc/11/35/87/1341113587.db2.gz LUFABTAKDVXSSD-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029910633 1341113607 /nfs/dbraw/zinc/11/36/07/1341113607.db2.gz SYLRPQKXEFQHFC-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001029996621 1341151650 /nfs/dbraw/zinc/15/16/50/1341151650.db2.gz FICXMWZMMKVPEF-FQEVSTJZSA-N 2 0 345.531 3.006 20 0 EGADRP CC1CCC(C[N@H+](C)CC2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001030013348 1341158060 /nfs/dbraw/zinc/15/80/60/1341158060.db2.gz FCLBMVJZAIGBCC-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001032027739 1341442146 /nfs/dbraw/zinc/44/21/46/1341442146.db2.gz YMEUUMOFDIUOSS-XLIONFOSSA-N 2 0 343.515 3.059 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032489185 1341522870 /nfs/dbraw/zinc/52/28/70/1341522870.db2.gz WGXKRUSNVAPERB-OALUTQOASA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033074312 1341716210 /nfs/dbraw/zinc/71/62/10/1341716210.db2.gz YDXSPAPNXVWEKS-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001033092003 1341720412 /nfs/dbraw/zinc/72/04/12/1341720412.db2.gz PMRVVVVVQBDXMM-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033144774 1341738923 /nfs/dbraw/zinc/73/89/23/1341738923.db2.gz BQHRXBYOJVQLGX-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033146439 1341739855 /nfs/dbraw/zinc/73/98/55/1341739855.db2.gz PEUJONRPQOSHPU-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033354081 1341794146 /nfs/dbraw/zinc/79/41/46/1341794146.db2.gz NCRDNYQWSROBCJ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033472600 1341840041 /nfs/dbraw/zinc/84/00/41/1341840041.db2.gz YXPRSOFBMQETAN-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033684458 1341949806 /nfs/dbraw/zinc/94/98/06/1341949806.db2.gz FSQOOKFQQRDSEY-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033686564 1341951732 /nfs/dbraw/zinc/95/17/32/1341951732.db2.gz QQTJEAODDIXCOJ-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033686492 1341952013 /nfs/dbraw/zinc/95/20/13/1341952013.db2.gz PMVGWXMXTRDQOE-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699751 1341966537 /nfs/dbraw/zinc/96/65/37/1341966537.db2.gz PQXDBONNXDIMGS-SJORKVTESA-N 2 0 349.519 3.314 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033989233 1342132964 /nfs/dbraw/zinc/13/29/64/1342132964.db2.gz MJQQYFRSUXJSOM-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034203611 1342313864 /nfs/dbraw/zinc/31/38/64/1342313864.db2.gz FUUPVPOYTQXQHC-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001034216712 1342322866 /nfs/dbraw/zinc/32/28/66/1342322866.db2.gz KBNLZTICVKTKIZ-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034240135 1342341435 /nfs/dbraw/zinc/34/14/35/1342341435.db2.gz POMDEUUMYPRUKH-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034240910 1342341599 /nfs/dbraw/zinc/34/15/99/1342341599.db2.gz ULWXZBFVHRWGKV-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251235 1342348010 /nfs/dbraw/zinc/34/80/10/1342348010.db2.gz XJHAFDKDXHIKIJ-QUCCMNQESA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292459 1342377235 /nfs/dbraw/zinc/37/72/35/1342377235.db2.gz RKZRQZHWMLDBQX-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001034364105 1342434293 /nfs/dbraw/zinc/43/42/93/1342434293.db2.gz QTNZTRQXRYGYDD-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001034431509 1342493031 /nfs/dbraw/zinc/49/30/31/1342493031.db2.gz LSVQULBPSJGSFC-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@H+](CC3CCC3)C2)c1 ZINC001034535163 1342591420 /nfs/dbraw/zinc/59/14/20/1342591420.db2.gz CBJWVHDWHHOXDH-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@H+](C/C=C\Cl)C1 ZINC001034543200 1342603720 /nfs/dbraw/zinc/60/37/20/1342603720.db2.gz ZLWJRFRKKHPDTF-GJBHZFNWSA-N 2 0 349.906 3.085 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CC(C)C)C2)o1 ZINC001034543847 1342604674 /nfs/dbraw/zinc/60/46/74/1342604674.db2.gz BAQDWYKDROSQPC-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001034606842 1342645166 /nfs/dbraw/zinc/64/51/66/1342645166.db2.gz GDIAGGWHNGRWGQ-AFYVEPGGSA-N 2 0 343.515 3.167 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034659186 1342675927 /nfs/dbraw/zinc/67/59/27/1342675927.db2.gz OPMZFTZTEZPRPF-UFYCRDLUSA-N 2 0 343.515 3.078 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034750840 1342738090 /nfs/dbraw/zinc/73/80/90/1342738090.db2.gz ZNXGINGKMSHYJS-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001034750520 1342738103 /nfs/dbraw/zinc/73/81/03/1342738103.db2.gz XPOFBLOLEPUSNV-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034776108 1342754011 /nfs/dbraw/zinc/75/40/11/1342754011.db2.gz YFBSPZJVTJNDCI-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034795998 1342762450 /nfs/dbraw/zinc/76/24/50/1342762450.db2.gz BBIDGQNJNFQGDE-ZULIPRJHSA-N 2 0 343.515 3.076 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC001034821928 1342784019 /nfs/dbraw/zinc/78/40/19/1342784019.db2.gz AYVWXJIUHAGLEJ-HXUWFJFHSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001034965554 1342855257 /nfs/dbraw/zinc/85/52/57/1342855257.db2.gz JYFPERIYPCNLOD-LZQZEXGQSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034982208 1342864140 /nfs/dbraw/zinc/86/41/40/1342864140.db2.gz YLCUZFKDDSZNMW-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001034994634 1342868356 /nfs/dbraw/zinc/86/83/56/1342868356.db2.gz AWVKYBFVNRCCQU-HXUWFJFHSA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001035091473 1342921413 /nfs/dbraw/zinc/92/14/13/1342921413.db2.gz DMFVPOGTTRNEGR-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+]2CCCCC2)CC1 ZINC001035130970 1342946865 /nfs/dbraw/zinc/94/68/65/1342946865.db2.gz APNMFRGDJOXXHF-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](CCC(C)(C)C)C3)CC2)CC1 ZINC001035223357 1343044021 /nfs/dbraw/zinc/04/40/21/1343044021.db2.gz QEVIFYFEOVANLQ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035704697 1343143874 /nfs/dbraw/zinc/14/38/74/1343143874.db2.gz HLKCSPGTGOACDN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035707841 1343144591 /nfs/dbraw/zinc/14/45/91/1343144591.db2.gz RMIIREXPDSGUFM-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741375 1343162967 /nfs/dbraw/zinc/16/29/67/1343162967.db2.gz MEKKZKIXTIJBIP-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001036292750 1343401008 /nfs/dbraw/zinc/40/10/08/1343401008.db2.gz FHOVCUWYONVVAO-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036408679 1343469715 /nfs/dbraw/zinc/46/97/15/1343469715.db2.gz FYTNGPQNSDXECT-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001036429563 1343482241 /nfs/dbraw/zinc/48/22/41/1343482241.db2.gz HRGJIBAOTOMALT-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001036460977 1343498382 /nfs/dbraw/zinc/49/83/82/1343498382.db2.gz PBMJLLVLKYMYBY-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001036481721 1343508170 /nfs/dbraw/zinc/50/81/70/1343508170.db2.gz ZKVQTUXLZBCKCN-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001036597327 1343569563 /nfs/dbraw/zinc/56/95/63/1343569563.db2.gz DWJGZOSJQCQBJF-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820384 1343758494 /nfs/dbraw/zinc/75/84/94/1343758494.db2.gz IBWCGKWIZDSGNC-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001037038093 1343941748 /nfs/dbraw/zinc/94/17/48/1343941748.db2.gz IDEPSGNQWQALHL-MJGOQNOKSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037087876 1343972622 /nfs/dbraw/zinc/97/26/22/1343972622.db2.gz BVLQPYBFCAOHBB-OALUTQOASA-N 2 0 349.563 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CC2)o1 ZINC001037135778 1343984906 /nfs/dbraw/zinc/98/49/06/1343984906.db2.gz SEZFZTDTBNXPOJ-FUHWJXTLSA-N 2 0 347.503 3.020 20 0 EGADRP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037855679 1344141498 /nfs/dbraw/zinc/14/14/98/1344141498.db2.gz WSVNVKZDCRCXKF-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1[NH2+]C(C)C ZINC001037888665 1344163550 /nfs/dbraw/zinc/16/35/50/1344163550.db2.gz ZHABPIHSBBYQAE-PXNSSMCTSA-N 2 0 345.531 3.029 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037907930 1344171212 /nfs/dbraw/zinc/17/12/12/1344171212.db2.gz XEZLWOWZPKQVLX-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037927391 1344186272 /nfs/dbraw/zinc/18/62/72/1344186272.db2.gz ANQUEHVSCDYQAC-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037975793 1344215118 /nfs/dbraw/zinc/21/51/18/1344215118.db2.gz IYBBFKQGLSSQOP-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462443 1344434374 /nfs/dbraw/zinc/43/43/74/1344434374.db2.gz LRNXJBKNTUYLKC-WMZOPIPTSA-N 2 0 348.450 3.208 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001038908081 1344645905 /nfs/dbraw/zinc/64/59/05/1344645905.db2.gz HNHFDTUJIWLOMI-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001039049720 1344735407 /nfs/dbraw/zinc/73/54/07/1344735407.db2.gz MLFNLINSPSSPJX-IBGZPJMESA-N 2 0 341.499 3.053 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131590 1344809040 /nfs/dbraw/zinc/80/90/40/1344809040.db2.gz QEMGVPKCDCSLGH-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@@H]3CC[NH+](C(C)C)C3)CC2)C1 ZINC001039152358 1344836301 /nfs/dbraw/zinc/83/63/01/1344836301.db2.gz XPOXQZYWGQUEAM-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155838 1344840842 /nfs/dbraw/zinc/84/08/42/1344840842.db2.gz DUBKLIRFHUQLMY-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039303054 1345004875 /nfs/dbraw/zinc/00/48/75/1345004875.db2.gz QODUZYHHHICTJP-IHWFROFDSA-N 2 0 343.515 3.272 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384878 1345038418 /nfs/dbraw/zinc/03/84/18/1345038418.db2.gz OXHAXFPQTCRWHT-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386745 1345039198 /nfs/dbraw/zinc/03/91/98/1345039198.db2.gz BSGSMRSLXAMDSX-AABGKKOBSA-N 2 0 349.563 3.361 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001039861190 1345217853 /nfs/dbraw/zinc/21/78/53/1345217853.db2.gz ZWAWLOAJIPXQDD-AQNXPRMDSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC(C)CC1)[NH+](C)C ZINC001039919482 1345245827 /nfs/dbraw/zinc/24/58/27/1345245827.db2.gz AHHZESXDKUJXPK-VWAQSERHSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC ZINC001039969611 1345271471 /nfs/dbraw/zinc/27/14/71/1345271471.db2.gz OTJOPELAXKQJRQ-CEXWTWQISA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040226900 1345384784 /nfs/dbraw/zinc/38/47/84/1345384784.db2.gz AODATORXVAHRET-IBGZPJMESA-N 2 0 349.544 3.148 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040322289 1345431523 /nfs/dbraw/zinc/43/15/23/1345431523.db2.gz JEBSJDSFLUFIIE-NRFANRHFSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040323346 1345432428 /nfs/dbraw/zinc/43/24/28/1345432428.db2.gz QGFFZQUYDAZPJR-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCC1)C2)[NH+](C)C ZINC001040398040 1345475614 /nfs/dbraw/zinc/47/56/14/1345475614.db2.gz CRZIWRXQMIVNKP-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040542467 1345538123 /nfs/dbraw/zinc/53/81/23/1345538123.db2.gz IYJGUAKRLJAJCP-NRFANRHFSA-N 2 0 343.515 3.085 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040545821 1345540589 /nfs/dbraw/zinc/54/05/89/1345540589.db2.gz VDPNZMSPYICEHF-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001040747306 1345573716 /nfs/dbraw/zinc/57/37/16/1345573716.db2.gz NQMDVQIUYXIGFW-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041307070 1345697395 /nfs/dbraw/zinc/69/73/95/1345697395.db2.gz NOFALTRYICHSPA-QKNQBKEWSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041842119 1345869683 /nfs/dbraw/zinc/86/96/83/1345869683.db2.gz BHQSPGFBBNCTAR-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845494 1345871665 /nfs/dbraw/zinc/87/16/65/1345871665.db2.gz FSBUJQJZVIOOJX-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125639 1345950745 /nfs/dbraw/zinc/95/07/45/1345950745.db2.gz VZIBQXMBKAENOH-IEBWSBKVSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233081 1345998387 /nfs/dbraw/zinc/99/83/87/1345998387.db2.gz CJGAJMUYJFNQCD-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042286691 1346017128 /nfs/dbraw/zinc/01/71/28/1346017128.db2.gz BUEZGPAZFVEKOO-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001042538355 1346087170 /nfs/dbraw/zinc/08/71/70/1346087170.db2.gz KAWLTLVLRVGLAQ-TVPLGVNVSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001042920244 1346125169 /nfs/dbraw/zinc/12/51/69/1346125169.db2.gz XJUZDISOGNZNJU-IBGZPJMESA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CC2CCCCCC2)C1 ZINC001044182875 1346268210 /nfs/dbraw/zinc/26/82/10/1346268210.db2.gz LJGGEOPOUPWVPP-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001044659640 1346395354 /nfs/dbraw/zinc/39/53/54/1346395354.db2.gz PWYRPFXDXLKCEP-LPHOPBHVSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044726813 1346412847 /nfs/dbraw/zinc/41/28/47/1346412847.db2.gz CFOOHIIKCCFWEO-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C[C@@H]2C)CC1 ZINC001044794254 1346429142 /nfs/dbraw/zinc/42/91/42/1346429142.db2.gz UYVVHUXWGIIBLY-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044856979 1346447109 /nfs/dbraw/zinc/44/71/09/1346447109.db2.gz CTLXMSFMRDKQED-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044882008 1346453651 /nfs/dbraw/zinc/45/36/51/1346453651.db2.gz WURCURCUQGXMQW-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045061044 1346488165 /nfs/dbraw/zinc/48/81/65/1346488165.db2.gz RZZMLOQICSGMKS-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)c1 ZINC001045070858 1346489669 /nfs/dbraw/zinc/48/96/69/1346489669.db2.gz ZVWOOSKTIFJXMK-PXNSSMCTSA-N 2 0 343.515 3.121 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045121451 1346498882 /nfs/dbraw/zinc/49/88/82/1346498882.db2.gz DVWHCENSWYWEJW-IBGZPJMESA-N 2 0 338.455 3.029 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045200924 1346528824 /nfs/dbraw/zinc/52/88/24/1346528824.db2.gz VCYYRCDOIOIRBR-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001045262076 1346542545 /nfs/dbraw/zinc/54/25/45/1346542545.db2.gz IPMVIJYBVDXEMY-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001045312100 1346556132 /nfs/dbraw/zinc/55/61/32/1346556132.db2.gz WMPPUDCRZXSMGP-MOPGFXCFSA-N 2 0 343.515 3.041 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001045322424 1346559754 /nfs/dbraw/zinc/55/97/54/1346559754.db2.gz HOWAJDGFYJFWDC-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001045474849 1346602631 /nfs/dbraw/zinc/60/26/31/1346602631.db2.gz BTVSYENUTAEWDH-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045475518 1346603189 /nfs/dbraw/zinc/60/31/89/1346603189.db2.gz JZSFZCIPCRVEQW-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1c(C(=O)NC2(C)CC[NH+](CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001045489953 1346607140 /nfs/dbraw/zinc/60/71/40/1346607140.db2.gz PMRKKQRVYLGKJS-UHFFFAOYSA-N 2 0 342.487 3.273 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045532046 1346619804 /nfs/dbraw/zinc/61/98/04/1346619804.db2.gz XLHZTAVFDGENLY-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045557781 1346628575 /nfs/dbraw/zinc/62/85/75/1346628575.db2.gz VKRWKAYBTKSWNC-MJGOQNOKSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045584552 1346637088 /nfs/dbraw/zinc/63/70/88/1346637088.db2.gz GRRMGAZAIPIGFY-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045588570 1346638129 /nfs/dbraw/zinc/63/81/29/1346638129.db2.gz BDLBETRJOHLQNG-UHFFFAOYSA-N 2 0 343.515 3.299 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2(C)CC[NH+](CC3CCC3)CC2)cc1 ZINC001045589903 1346638964 /nfs/dbraw/zinc/63/89/64/1346638964.db2.gz PAIDCZPXUJSUFG-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2(C)CC[NH+](C/C=C\Cl)CC2)c1 ZINC001045647084 1346657975 /nfs/dbraw/zinc/65/79/75/1346657975.db2.gz QQPCQXMMKXBMDU-YHYXMXQVSA-N 2 0 349.906 3.085 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001045876417 1346728859 /nfs/dbraw/zinc/72/88/59/1346728859.db2.gz JYTDUXTULQXERK-CEXWTWQISA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938544 1346774111 /nfs/dbraw/zinc/77/41/11/1346774111.db2.gz FBZJEJYZKXNQQC-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974060 1346810217 /nfs/dbraw/zinc/81/02/17/1346810217.db2.gz XCSRWLYRUWWXJX-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980165 1346817426 /nfs/dbraw/zinc/81/74/26/1346817426.db2.gz SFACSXHYPZFDDX-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045986259 1346827941 /nfs/dbraw/zinc/82/79/41/1346827941.db2.gz MGIRODAHLAVHQK-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587745 1347028124 /nfs/dbraw/zinc/02/81/24/1347028124.db2.gz HALQVXFFHHDQAV-PZJWPPBQSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618731 1347040651 /nfs/dbraw/zinc/04/06/51/1347040651.db2.gz IWYWSOBBPNQVMX-OAQYLSRUSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH+](CCC)CC2)C1 ZINC001047241285 1347267687 /nfs/dbraw/zinc/26/76/87/1347267687.db2.gz PGZDNTAEBAQCEG-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001048005675 1347438606 /nfs/dbraw/zinc/43/86/06/1347438606.db2.gz DIIXGVGZTJNYTO-ICSRJNTNSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048480869 1347562307 /nfs/dbraw/zinc/56/23/07/1347562307.db2.gz WLJPEPMIUBADNO-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574186 1347600203 /nfs/dbraw/zinc/60/02/03/1347600203.db2.gz RRYGYJINMDEHCC-OUUBHVDSSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048590604 1347609908 /nfs/dbraw/zinc/60/99/08/1347609908.db2.gz QPXHAJKRNZNIBI-IYWMVGAKSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477871 1347868593 /nfs/dbraw/zinc/86/85/93/1347868593.db2.gz JPJJFWWLVWWTTP-QZTJIDSGSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477423 1347868667 /nfs/dbraw/zinc/86/86/67/1347868667.db2.gz GQSSWRNVOVRHTH-MOPGFXCFSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001049478507 1347868771 /nfs/dbraw/zinc/86/87/71/1347868771.db2.gz PCMANKWLSMGROU-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCCC1)C1CCC1 ZINC001049514509 1347886926 /nfs/dbraw/zinc/88/69/26/1347886926.db2.gz GHMQNPCKMALMHD-PMACEKPBSA-N 2 0 345.531 3.036 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC2CCCCC2)CCC1 ZINC001049517051 1347887683 /nfs/dbraw/zinc/88/76/83/1347887683.db2.gz GMBPDXALHAPTRZ-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049532374 1347894881 /nfs/dbraw/zinc/89/48/81/1347894881.db2.gz IHDUVGJOCBGRHL-ZCNNSNEGSA-N 2 0 347.547 3.138 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049558820 1347908788 /nfs/dbraw/zinc/90/87/88/1347908788.db2.gz RWLVUBXOYGJFBV-XUVXKRRUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637593 1347947942 /nfs/dbraw/zinc/94/79/42/1347947942.db2.gz HRNYOLNIFNBGOO-ROUUACIJSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049656097 1347958120 /nfs/dbraw/zinc/95/81/20/1347958120.db2.gz VKBXWNUTGJXCQM-UFYCRDLUSA-N 2 0 345.531 3.036 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001050272101 1348224713 /nfs/dbraw/zinc/22/47/13/1348224713.db2.gz CNJQNSCDZVYRMW-OXQOHEQNSA-N 2 0 343.515 3.095 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)CC1 ZINC001050361987 1348238498 /nfs/dbraw/zinc/23/84/98/1348238498.db2.gz BUUTZLVMSJCSPZ-KESTWPANSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CCC(C)CC1)CC2)[NH+](C)C ZINC001050668736 1348322208 /nfs/dbraw/zinc/32/22/08/1348322208.db2.gz BYWAHTXFFGWOFF-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001051349824 1348439865 /nfs/dbraw/zinc/43/98/65/1348439865.db2.gz ZUHCALIXPUSSCP-RLLQIKCJSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052446645 1348543112 /nfs/dbraw/zinc/54/31/12/1348543112.db2.gz MXAKYMBYWAKRHZ-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC001052652135 1348614601 /nfs/dbraw/zinc/61/46/01/1348614601.db2.gz UBMQSVRUHDFCOK-RTBURBONSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652182 1348614614 /nfs/dbraw/zinc/61/46/14/1348614614.db2.gz UTKIYQQJAVVJKJ-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001052764715 1348669555 /nfs/dbraw/zinc/66/95/55/1348669555.db2.gz RJXUAROYFGSULW-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C/C=C\Cl)CC2)cc1 ZINC001052787038 1348679437 /nfs/dbraw/zinc/67/94/37/1348679437.db2.gz HEOUTIGROVARQS-NHOBBCMMSA-N 2 0 349.906 3.085 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052938450 1348756335 /nfs/dbraw/zinc/75/63/35/1348756335.db2.gz YATGLYAACFNELZ-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052955566 1348769393 /nfs/dbraw/zinc/76/93/93/1348769393.db2.gz HHXYJMXYSIJISW-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001053051389 1348855037 /nfs/dbraw/zinc/85/50/37/1348855037.db2.gz OIGVVUXRYOQCOQ-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209053 1349210322 /nfs/dbraw/zinc/21/03/22/1349210322.db2.gz HHWAKQMHFCMHHA-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227106 1349220951 /nfs/dbraw/zinc/22/09/51/1349220951.db2.gz DEMZBBSZAULADY-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054244509 1349238246 /nfs/dbraw/zinc/23/82/46/1349238246.db2.gz WHZJLNJSHLJIJQ-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC)C2 ZINC001054289998 1349294248 /nfs/dbraw/zinc/29/42/48/1349294248.db2.gz YFSQDHGQTZTPQW-FQEVSTJZSA-N 2 0 343.515 3.293 20 0 EGADRP CCc1sc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1Br ZINC001232290550 1376433148 /nfs/dbraw/zinc/43/31/48/1376433148.db2.gz VJABRZZHCWNWKO-NEPJUHHUSA-N 2 0 343.334 3.457 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC001054968173 1349530813 /nfs/dbraw/zinc/53/08/13/1349530813.db2.gz CZSUFOKQLFNMDD-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318255 1357572004 /nfs/dbraw/zinc/57/20/04/1357572004.db2.gz LWHSEDCFONJYDJ-MISYRCLQSA-N 2 0 347.547 3.186 20 0 EGADRP CCOc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)ccc1Br ZINC001236226983 1376943713 /nfs/dbraw/zinc/94/37/13/1376943713.db2.gz VUDXDCDPNIKYRE-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001183082421 1387259382 /nfs/dbraw/zinc/25/93/82/1387259382.db2.gz UPHJDWLJNYLEPO-LVCYWYKZSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001071627412 1354811894 /nfs/dbraw/zinc/81/18/94/1354811894.db2.gz FJSZXWJAWWLYOI-RHSMWYFYSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CC1CCCC1 ZINC001071682963 1354849760 /nfs/dbraw/zinc/84/97/60/1354849760.db2.gz VIHQVBUSBFZFHB-CRAIPNDOSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001071738961 1354889488 /nfs/dbraw/zinc/88/94/88/1354889488.db2.gz LPTDLXLRGLRTRW-MJGOQNOKSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCC1CCCC1 ZINC001071872664 1354997755 /nfs/dbraw/zinc/99/77/55/1354997755.db2.gz PJRPVIBETCACGA-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882849 1355482456 /nfs/dbraw/zinc/48/24/56/1355482456.db2.gz SKIGLISMCJAQOL-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001074045160 1356050920 /nfs/dbraw/zinc/05/09/20/1356050920.db2.gz AVZNQDOMPOGMST-DFQSSKMNSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001074062983 1356061154 /nfs/dbraw/zinc/06/11/54/1356061154.db2.gz CICRFFVKRAZQDN-UYAOXDASSA-N 2 0 347.547 3.284 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001074066735 1356063748 /nfs/dbraw/zinc/06/37/48/1356063748.db2.gz OWMYZNLLGLFEHF-SXLOBPIMSA-N 2 0 345.531 3.401 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001074686120 1356224571 /nfs/dbraw/zinc/22/45/71/1356224571.db2.gz PZTJHZVJIUJVJE-WDSOQIARSA-N 2 0 349.563 3.265 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C)[NH+](C)C ZINC001074711122 1356227853 /nfs/dbraw/zinc/22/78/53/1356227853.db2.gz RUCMZGFCRDUSOE-YTQUADARSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)c1cccc(Cl)c1 ZINC001074792980 1356243574 /nfs/dbraw/zinc/24/35/74/1356243574.db2.gz QNGLSFYLSHZHCE-DFEHZGFQSA-N 2 0 349.906 3.074 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C)c1 ZINC001074803893 1356248227 /nfs/dbraw/zinc/24/82/27/1356248227.db2.gz TZZMDJTZMPZXNY-QGZVKYPTSA-N 2 0 343.515 3.038 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461303 1356395150 /nfs/dbraw/zinc/39/51/50/1356395150.db2.gz CCOIVNAMNFTYQB-AZUAARDMSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183255682 1387286635 /nfs/dbraw/zinc/28/66/35/1387286635.db2.gz NHZLRCDPLWBUKX-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099315553 1363745467 /nfs/dbraw/zinc/74/54/67/1363745467.db2.gz HBLSMNYLYRLJOI-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344664 1363762696 /nfs/dbraw/zinc/76/26/96/1363762696.db2.gz NTNJKLKZLKYKGO-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001099347707 1363764296 /nfs/dbraw/zinc/76/42/96/1363764296.db2.gz AWPFCIRGHAALLS-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183275918 1387289476 /nfs/dbraw/zinc/28/94/76/1387289476.db2.gz QUXJCKYKKUKXFO-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082612436 1358065926 /nfs/dbraw/zinc/06/59/26/1358065926.db2.gz NWWJQDWAPMSHCC-MISYRCLQSA-N 2 0 347.547 3.044 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001084668142 1358273072 /nfs/dbraw/zinc/27/30/72/1358273072.db2.gz KOCMLQJGYKNTFJ-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084701539 1358286713 /nfs/dbraw/zinc/28/67/13/1358286713.db2.gz IJIVJTBXHPPGNH-GUDVDZBRSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084863027 1358333693 /nfs/dbraw/zinc/33/36/93/1358333693.db2.gz QGIOGAAAJXXAEJ-SJLPKXTDSA-N 2 0 347.503 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001085100907 1358390465 /nfs/dbraw/zinc/39/04/65/1358390465.db2.gz KAYHZFVTYMBMCW-QRVBRYPASA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085152618 1358414012 /nfs/dbraw/zinc/41/40/12/1358414012.db2.gz KXGXEJCUHMHHST-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085855732 1358823028 /nfs/dbraw/zinc/82/30/28/1358823028.db2.gz IBRFXMRLWMYCJR-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875765 1358839898 /nfs/dbraw/zinc/83/98/98/1358839898.db2.gz IVGGPESCBPQCAF-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994120 1358948593 /nfs/dbraw/zinc/94/85/93/1358948593.db2.gz CGIFYROLIFHXTP-INIZCTEOSA-N 2 0 335.492 3.068 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001086186546 1359020442 /nfs/dbraw/zinc/02/04/42/1359020442.db2.gz CWFBVXDTPNSNSA-IZAXUBKRSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086278640 1359051768 /nfs/dbraw/zinc/05/17/68/1359051768.db2.gz GUSCUJYSEOQHTB-JYBIWHBTSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086382637 1359083537 /nfs/dbraw/zinc/08/35/37/1359083537.db2.gz QFJXUDNATVYHAZ-WFAGLZIHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086382699 1359083542 /nfs/dbraw/zinc/08/35/42/1359083542.db2.gz SCYSEHWHHRHVGM-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086456108 1359102684 /nfs/dbraw/zinc/10/26/84/1359102684.db2.gz QYCSBMCYVCFCOC-QWFCFKBJSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001086457168 1359103071 /nfs/dbraw/zinc/10/30/71/1359103071.db2.gz MYKCRHMGIHYXQG-LEAZDLGRSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086533780 1359135302 /nfs/dbraw/zinc/13/53/02/1359135302.db2.gz ZTEZMZGAKDMCFO-NXWXRZEISA-N 2 0 349.563 3.027 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001086937936 1359260285 /nfs/dbraw/zinc/26/02/85/1359260285.db2.gz DHRQIOWFHLZYDA-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946829 1359268114 /nfs/dbraw/zinc/26/81/14/1359268114.db2.gz IYKAAIGMNLPADW-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087523353 1359509198 /nfs/dbraw/zinc/50/91/98/1359509198.db2.gz TUFCRKFZQCONCL-IPMKNSEASA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087569719 1359536075 /nfs/dbraw/zinc/53/60/75/1359536075.db2.gz JOSQBRHVGSTWIL-OTWHNJEPSA-N 2 0 349.563 3.265 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCC(C)C ZINC001087602493 1359550107 /nfs/dbraw/zinc/55/01/07/1359550107.db2.gz RYEQDWMKKYXTHE-GBESFXJTSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634619 1359565521 /nfs/dbraw/zinc/56/55/21/1359565521.db2.gz KSFGHFURSBWTRO-ZOCIIQOWSA-N 2 0 342.487 3.272 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001323617497 1387409156 /nfs/dbraw/zinc/40/91/56/1387409156.db2.gz YBXDGRAPDZREDV-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001087699478 1359598462 /nfs/dbraw/zinc/59/84/62/1359598462.db2.gz WCNJYTPYRHGQQM-XUVXKRRUSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CC[C@H](C)F ZINC001087839854 1359673640 /nfs/dbraw/zinc/67/36/40/1359673640.db2.gz WXUWVGYNFHKPKT-ZYSHUDEJSA-N 2 0 349.494 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840987 1359674716 /nfs/dbraw/zinc/67/47/16/1359674716.db2.gz XTYDEHBQMNEUBP-LSTHTHJFSA-N 2 0 345.531 3.377 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212896 1359797195 /nfs/dbraw/zinc/79/71/95/1359797195.db2.gz ZOOSASAOVKHMJJ-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(C)C)C2)C1 ZINC001088367436 1359851753 /nfs/dbraw/zinc/85/17/53/1359851753.db2.gz JXNMUOSVUAGOLR-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1)[NH+](C)C ZINC001088377001 1359859314 /nfs/dbraw/zinc/85/93/14/1359859314.db2.gz XEVUUCSEZOVTKH-VQTJNVASSA-N 2 0 345.531 3.134 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001088380164 1359863646 /nfs/dbraw/zinc/86/36/46/1359863646.db2.gz ARUZLCRNALJQPH-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088430772 1359898461 /nfs/dbraw/zinc/89/84/61/1359898461.db2.gz YEBMKFZQKGRGTD-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088604961 1359988473 /nfs/dbraw/zinc/98/84/73/1359988473.db2.gz AXSMRLSLMFLMTL-HOJAQTOUSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088693111 1360014619 /nfs/dbraw/zinc/01/46/19/1360014619.db2.gz LWXRBZIOUKNBPB-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001088811999 1360060321 /nfs/dbraw/zinc/06/03/21/1360060321.db2.gz HNNSRTYJROUKON-UXPWSPDFSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1)[NH+](C)C ZINC001089191955 1360240191 /nfs/dbraw/zinc/24/01/91/1360240191.db2.gz JGMQSEDQJFOKFY-VQTJNVASSA-N 2 0 345.531 3.148 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089399964 1360399703 /nfs/dbraw/zinc/39/97/03/1360399703.db2.gz AEGFWLYMOJFYDV-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089401936 1360401244 /nfs/dbraw/zinc/40/12/44/1360401244.db2.gz ZPPLCZXEFGIFOQ-RBUKOAKNSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089431010 1360422760 /nfs/dbraw/zinc/42/27/60/1360422760.db2.gz WXOXVDFPUUTWKS-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430819 1360422869 /nfs/dbraw/zinc/42/28/69/1360422869.db2.gz USZVNINWWSEDHR-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)CC1 ZINC001089484652 1360465570 /nfs/dbraw/zinc/46/55/70/1360465570.db2.gz ZJMFMDGVFSHNJR-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089564793 1360511545 /nfs/dbraw/zinc/51/15/45/1360511545.db2.gz JJWQDJAFDZTYHP-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)CC1 ZINC001091306708 1361037703 /nfs/dbraw/zinc/03/77/03/1361037703.db2.gz XSUKEMKRXXMHJZ-UHFFFAOYSA-N 2 0 347.547 3.092 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001184566095 1387494366 /nfs/dbraw/zinc/49/43/66/1387494366.db2.gz OHIWFNPULKRYPG-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)CCCC1 ZINC001184628807 1387501518 /nfs/dbraw/zinc/50/15/18/1387501518.db2.gz QUPAVJIFGAQYNG-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)C1CCCCC1 ZINC001184609024 1387499913 /nfs/dbraw/zinc/49/99/13/1387499913.db2.gz IFAAKLMKQYWMJQ-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001184608946 1387499949 /nfs/dbraw/zinc/49/99/49/1387499949.db2.gz FTQFGQQJZRBWSW-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184734177 1387522838 /nfs/dbraw/zinc/52/28/38/1387522838.db2.gz HPYQYUWOJIDSOS-SJLPKXTDSA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001095405912 1362130419 /nfs/dbraw/zinc/13/04/19/1362130419.db2.gz FCYMWVBXPZKJSG-FUMNGEBKSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001095405913 1362130662 /nfs/dbraw/zinc/13/06/62/1362130662.db2.gz FCYMWVBXPZKJSG-FYQPLNBISA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891457 1387556275 /nfs/dbraw/zinc/55/62/75/1387556275.db2.gz GPGDFBFBRLBDTH-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001096611825 1362596559 /nfs/dbraw/zinc/59/65/59/1362596559.db2.gz VHBFEFPLGCOHSD-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001185032510 1387592363 /nfs/dbraw/zinc/59/23/63/1387592363.db2.gz ZPUGEHHLLOSYMA-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001097177571 1362874816 /nfs/dbraw/zinc/87/48/16/1362874816.db2.gz UUDQCBYSJJFVBR-YSTOQKLRSA-N 2 0 345.531 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(CC)CC ZINC001097177012 1362874964 /nfs/dbraw/zinc/87/49/64/1362874964.db2.gz FMVWPBPAHIXZEU-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097974340 1363185686 /nfs/dbraw/zinc/18/56/86/1363185686.db2.gz IJXGUTNLEISZDN-AKHDSKFASA-N 2 0 349.563 3.407 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001185089625 1387616026 /nfs/dbraw/zinc/61/60/26/1387616026.db2.gz BOVJTKXAUVFUCP-LXORQPIJSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821404 1363482228 /nfs/dbraw/zinc/48/22/28/1363482228.db2.gz PAKUWSDCRVXCDL-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821405 1363482263 /nfs/dbraw/zinc/48/22/63/1363482263.db2.gz PAKUWSDCRVXCDL-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110981 1363628408 /nfs/dbraw/zinc/62/84/08/1363628408.db2.gz NHZFLSUUKRSIOK-DVBCCOPCSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110984 1363628432 /nfs/dbraw/zinc/62/84/32/1363628432.db2.gz NHZFLSUUKRSIOK-ZEVQVBBLSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099130577 1363642459 /nfs/dbraw/zinc/64/24/59/1363642459.db2.gz PJDRBGJPNSBSHB-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099194677 1363685273 /nfs/dbraw/zinc/68/52/73/1363685273.db2.gz QTUQMWWJFTVVQW-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198688 1363687822 /nfs/dbraw/zinc/68/78/22/1363687822.db2.gz DBVGWSPINPVMLR-JTHGQSKGSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099239970 1363708010 /nfs/dbraw/zinc/70/80/10/1363708010.db2.gz NIVCCSORQCWONT-SFHVURJKSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099239602 1363708675 /nfs/dbraw/zinc/70/86/75/1363708675.db2.gz HNBQWXLHEVMMOB-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348024 1363764806 /nfs/dbraw/zinc/76/48/06/1363764806.db2.gz FITAFOMZIWULJS-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001100332701 1364082314 /nfs/dbraw/zinc/08/23/14/1364082314.db2.gz MVPRITDBZXKDLD-JLAWEPINSA-N 2 0 347.547 3.092 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480362 1364129527 /nfs/dbraw/zinc/12/95/27/1364129527.db2.gz OPOGXPCBSVGIOW-UHFFFAOYSA-N 2 0 328.460 3.013 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100669071 1364211068 /nfs/dbraw/zinc/21/10/68/1364211068.db2.gz NCTULNAVWJNIJL-ABHNRTSZSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001100731902 1364239359 /nfs/dbraw/zinc/23/93/59/1364239359.db2.gz KWGZOCANOHOZEC-QHGAOEGBSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100764851 1364251624 /nfs/dbraw/zinc/25/16/24/1364251624.db2.gz ILLNHUZFBCSHTH-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](CC)c2ccccc2)C1 ZINC001100899989 1364321480 /nfs/dbraw/zinc/32/14/80/1364321480.db2.gz KRLPSRIBWMPSJA-LYBXBRPPSA-N 2 0 345.531 3.354 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100996689 1364362738 /nfs/dbraw/zinc/36/27/38/1364362738.db2.gz GDDGZOALNFTYSZ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001101028007 1364381071 /nfs/dbraw/zinc/38/10/71/1364381071.db2.gz WCDDKBGTWANUOE-WAYWQWQTSA-N 2 0 343.515 3.203 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001101033418 1364382455 /nfs/dbraw/zinc/38/24/55/1364382455.db2.gz SXWSBGKDQFXDDE-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101244544 1364483644 /nfs/dbraw/zinc/48/36/44/1364483644.db2.gz VLWOBYKAOHYOHG-HDAAZOAOSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271606 1364493402 /nfs/dbraw/zinc/49/34/02/1364493402.db2.gz SFAFXYRCBPOJOL-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001101547504 1364611577 /nfs/dbraw/zinc/61/15/77/1364611577.db2.gz DCCSCJAULPNTAR-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185357962 1387691512 /nfs/dbraw/zinc/69/15/12/1387691512.db2.gz GUANOOKZUBXCSQ-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001102104096 1364859117 /nfs/dbraw/zinc/85/91/17/1364859117.db2.gz FUVPXDNPTKRROD-IAGOWNOFSA-N 2 0 339.568 3.227 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC001324640987 1387713706 /nfs/dbraw/zinc/71/37/06/1387713706.db2.gz HJNQFUUNOXKMKD-HEEFDWFXSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001102523839 1365098451 /nfs/dbraw/zinc/09/84/51/1365098451.db2.gz MYNKAULABZFSEH-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600217 1365131197 /nfs/dbraw/zinc/13/11/97/1365131197.db2.gz SVPAHMPRLDUVQT-RLLQIKCJSA-N 2 0 345.531 3.162 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103719 1365382047 /nfs/dbraw/zinc/38/20/47/1365382047.db2.gz WDXBRHFKCZRLFE-BNLAEDIXSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174477 1365420584 /nfs/dbraw/zinc/42/05/84/1365420584.db2.gz OVPHJUOKGVSZEY-AQNXPRMDSA-N 2 0 349.563 3.147 20 0 EGADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001103444897 1365564322 /nfs/dbraw/zinc/56/43/22/1365564322.db2.gz OJXPTHRXMWXILK-KURKYZTESA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103550256 1365629676 /nfs/dbraw/zinc/62/96/76/1365629676.db2.gz HHKUALYEUYNKIC-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001185600034 1387759099 /nfs/dbraw/zinc/75/90/99/1387759099.db2.gz IULIEIKEFZLZPI-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001104348420 1365982499 /nfs/dbraw/zinc/98/24/99/1365982499.db2.gz FVMUJPWEVLRJAG-KZNAEPCWSA-N 2 0 339.568 3.227 20 0 EGADRP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104363124 1365987899 /nfs/dbraw/zinc/98/78/99/1365987899.db2.gz ZTLGOYXVATUOLZ-SJLPKXTDSA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362954 1365988206 /nfs/dbraw/zinc/98/82/06/1365988206.db2.gz ROLBJRHRIAGBMA-AQRBRUGDSA-N 2 0 337.552 3.147 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104678843 1366128327 /nfs/dbraw/zinc/12/83/27/1366128327.db2.gz DVLVESFCRGAOQQ-AHSYYPKJSA-N 2 0 349.563 3.149 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185742711 1387788454 /nfs/dbraw/zinc/78/84/54/1387788454.db2.gz VSHBPCMSJIZWDQ-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185743434 1387788535 /nfs/dbraw/zinc/78/85/35/1387788535.db2.gz ZSEHJUIDBQSGQO-XLIONFOSSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001185779643 1387798146 /nfs/dbraw/zinc/79/81/46/1387798146.db2.gz QFWSANOLXOLEEQ-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105560676 1366530485 /nfs/dbraw/zinc/53/04/85/1366530485.db2.gz BIQFEDDOEDMINI-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105562085 1366531478 /nfs/dbraw/zinc/53/14/78/1366531478.db2.gz VZYHAKSJYBSRMZ-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563327 1366532822 /nfs/dbraw/zinc/53/28/22/1366532822.db2.gz JYCCIJHIQNMOQZ-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105568085 1366536431 /nfs/dbraw/zinc/53/64/31/1366536431.db2.gz FEYHENGSEICKNA-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588369 1366746275 /nfs/dbraw/zinc/74/62/75/1366746275.db2.gz QZFUVNSESHTMPP-SJLPKXTDSA-N 2 0 349.519 3.219 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451638 1366968500 /nfs/dbraw/zinc/96/85/00/1366968500.db2.gz ZOYWNQBURGMSDC-ASJVDEDQSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001107524038 1367018081 /nfs/dbraw/zinc/01/80/81/1367018081.db2.gz DMVKMBAWHHAHOJ-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109264197 1367033024 /nfs/dbraw/zinc/03/30/24/1367033024.db2.gz OZYRVYPNMSWUOD-XWSJACJDSA-N 2 0 335.536 3.017 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547408 1367036906 /nfs/dbraw/zinc/03/69/06/1367036906.db2.gz LVAYVBPYQOHMCT-NLWGTHIKSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546462 1367037354 /nfs/dbraw/zinc/03/73/54/1367037354.db2.gz DHVOJGADTJMQBZ-BYZPHCBNSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609643 1367070249 /nfs/dbraw/zinc/07/02/49/1367070249.db2.gz ZYSXXZJKBIRMQC-QKNQBKEWSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613900 1367072749 /nfs/dbraw/zinc/07/27/49/1367072749.db2.gz DZNYLGIWLRZCGL-HFYBBEMZSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613996 1367073032 /nfs/dbraw/zinc/07/30/32/1367073032.db2.gz JYHXESNDRXREIU-UYAOXDASSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614723 1367074152 /nfs/dbraw/zinc/07/41/52/1367074152.db2.gz KFGLHEKELYTNKP-WKQNUPFUSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)C1CC1 ZINC001109406035 1367107514 /nfs/dbraw/zinc/10/75/14/1367107514.db2.gz LMETVXWEDQBEQY-FYQPLNBISA-N 2 0 347.547 3.019 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109417871 1367112139 /nfs/dbraw/zinc/11/21/39/1367112139.db2.gz PUHHOXUPPQTTIS-YRXWBPOGSA-N 2 0 335.536 3.163 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCC3CCCCC3)C[C@H]21 ZINC001189913718 1367129999 /nfs/dbraw/zinc/12/99/99/1367129999.db2.gz XQEPIBBDZOQVBQ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](CCC2CCCC2)C1 ZINC001324971180 1387858585 /nfs/dbraw/zinc/85/85/85/1387858585.db2.gz FPJDKHAJURASMD-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178928 1367192167 /nfs/dbraw/zinc/19/21/67/1367192167.db2.gz XUYXEWOXZZKREJ-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)CC1 ZINC001109649812 1367263302 /nfs/dbraw/zinc/26/33/02/1367263302.db2.gz FQAIFDQTPDNYQA-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190444063 1367267168 /nfs/dbraw/zinc/26/71/68/1367267168.db2.gz NVOLDUJSBVBCEZ-INIZCTEOSA-N 2 0 337.533 3.002 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796957 1367327613 /nfs/dbraw/zinc/32/76/13/1367327613.db2.gz NUHSNZQGSKPUIW-RDGPPVDQSA-N 2 0 335.536 3.163 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743586 1367341089 /nfs/dbraw/zinc/34/10/89/1367341089.db2.gz LUWFPPYOFIUOSJ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001110014632 1367458887 /nfs/dbraw/zinc/45/88/87/1367458887.db2.gz AKWDVEHMUPSQOC-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108733805 1367565112 /nfs/dbraw/zinc/56/51/12/1367565112.db2.gz HPFZJPLWIAXFSH-OTWHNJEPSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764084 1367579687 /nfs/dbraw/zinc/57/96/87/1367579687.db2.gz DHDPHGFPXQPKAG-QHWWWDCYSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108764278 1367579764 /nfs/dbraw/zinc/57/97/64/1367579764.db2.gz BXNGRPOOXRPNNB-FHWLQOOXSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccn2C2CC2)cc1 ZINC001325116559 1387900509 /nfs/dbraw/zinc/90/05/09/1387900509.db2.gz CMRDQKLWEPVQHT-UHFFFAOYSA-N 2 0 327.472 3.096 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)CCn2ccnc2C(C)C)C1 ZINC001192642620 1367840993 /nfs/dbraw/zinc/84/09/93/1367840993.db2.gz VZKGQXKODIPDCE-KRWDZBQOSA-N 2 0 334.508 3.120 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916606 1367904024 /nfs/dbraw/zinc/90/40/24/1367904024.db2.gz ABDFNGFUKHMQNE-MMKWGKFASA-N 2 0 337.552 3.242 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001110682906 1367925067 /nfs/dbraw/zinc/92/50/67/1367925067.db2.gz HVICFXZEPHZQFZ-WTGUMLROSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001110683103 1367925247 /nfs/dbraw/zinc/92/52/47/1367925247.db2.gz QKCMPDUECVQLBF-MANSERQUSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001110738436 1367954943 /nfs/dbraw/zinc/95/49/43/1367954943.db2.gz DGVRLCMIEWOWFJ-KURKYZTESA-N 2 0 335.536 3.019 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408136 1368020069 /nfs/dbraw/zinc/02/00/69/1368020069.db2.gz DRVREWJIEBUXON-TZIWHRDSSA-N 2 0 345.531 3.186 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408134 1368020555 /nfs/dbraw/zinc/02/05/55/1368020555.db2.gz DRVREWJIEBUXON-FPOVZHCZSA-N 2 0 345.531 3.186 20 0 EGADRP CCCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425136 1368026319 /nfs/dbraw/zinc/02/63/19/1368026319.db2.gz TYLGGYKTXPRBJC-SFHVURJKSA-N 2 0 325.541 3.221 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424611 1368027594 /nfs/dbraw/zinc/02/75/94/1368027594.db2.gz NXBDFIBANYWFRP-WOJBJXKFSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001193560026 1368061491 /nfs/dbraw/zinc/06/14/91/1368061491.db2.gz NYDWGPBIKAFYTR-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571958 1368065225 /nfs/dbraw/zinc/06/52/25/1368065225.db2.gz YWNGYKDMMPICKT-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193609481 1368073098 /nfs/dbraw/zinc/07/30/98/1368073098.db2.gz BJHZZNLUOWCVFN-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)[NH+](CC)CC ZINC001111018188 1368143491 /nfs/dbraw/zinc/14/34/91/1368143491.db2.gz MHDOGXTZSAYMRD-ZRNYENFQSA-N 2 0 349.563 3.409 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018451 1368143535 /nfs/dbraw/zinc/14/35/35/1368143535.db2.gz VJRDJWHQJJKHMR-YRXWBPOGSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001111037255 1368147448 /nfs/dbraw/zinc/14/74/48/1368147448.db2.gz SOJKMZYORRGFDM-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097011 1368158519 /nfs/dbraw/zinc/15/85/19/1368158519.db2.gz GOKZPCBWIXIVLW-LEIBLDFBSA-N 2 0 347.547 3.329 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC ZINC001111160012 1368170256 /nfs/dbraw/zinc/17/02/56/1368170256.db2.gz ALNPQSGOOXIZKL-MANSERQUSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001111233816 1368209922 /nfs/dbraw/zinc/20/99/22/1368209922.db2.gz WSWVGEHBJOBLRP-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245529 1368216445 /nfs/dbraw/zinc/21/64/45/1368216445.db2.gz BVNKFMFDJPZSQM-UEKDZROGSA-N 2 0 335.536 3.142 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001194274390 1368221519 /nfs/dbraw/zinc/22/15/19/1368221519.db2.gz HHPCYBIDYMAZHO-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429518 1368259695 /nfs/dbraw/zinc/25/96/95/1368259695.db2.gz KBLJAKOOIUHUMO-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001111463467 1368311903 /nfs/dbraw/zinc/31/19/03/1368311903.db2.gz SHMWKZPXNWESBB-YSTOQKLRSA-N 2 0 347.547 3.019 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467442 1368312322 /nfs/dbraw/zinc/31/23/22/1368312322.db2.gz JDDUXVJCOBUNQP-MIIYPZDFSA-N 2 0 347.547 3.185 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1)C(C)C ZINC001186428068 1387940699 /nfs/dbraw/zinc/94/06/99/1387940699.db2.gz MRZZDOQZYKMLAF-UXHICEINSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111779001 1368457646 /nfs/dbraw/zinc/45/76/46/1368457646.db2.gz SIIPPLRHWFJBJM-LQWHRVPQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111870661 1368518090 /nfs/dbraw/zinc/51/80/90/1368518090.db2.gz IKBAJDPRHIXUJD-LQWHRVPQSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2)CC(C)(C)C ZINC001111872935 1368520041 /nfs/dbraw/zinc/52/00/41/1368520041.db2.gz AQLHKYWBVDVZHE-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC=C(C)C)C2 ZINC001111903770 1368548205 /nfs/dbraw/zinc/54/82/05/1368548205.db2.gz PABMOXYTPQCNTP-FPOVZHCZSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001196275901 1368582534 /nfs/dbraw/zinc/58/25/34/1368582534.db2.gz OSAAZSWLSKTVQI-RBUKOAKNSA-N 2 0 335.536 3.118 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1)[NH+](CC)CC ZINC001197141338 1368753560 /nfs/dbraw/zinc/75/35/60/1368753560.db2.gz GZFNVQXLUGAFBB-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](CCC2CCCC2)CC1)[NH+](CC)CC ZINC001197141096 1368753587 /nfs/dbraw/zinc/75/35/87/1368753587.db2.gz BCLOLCVTMBMBAN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197404317 1368807699 /nfs/dbraw/zinc/80/76/99/1368807699.db2.gz XQMVNSGDDHRIOF-RTBURBONSA-N 2 0 335.536 3.118 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112431614 1368847380 /nfs/dbraw/zinc/84/73/80/1368847380.db2.gz MGSIBUDPOQOIPN-UEXGIBASSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112437106 1368852660 /nfs/dbraw/zinc/85/26/60/1368852660.db2.gz XXQSQQSGZPDBBR-HZLSTUHESA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001112514744 1368909032 /nfs/dbraw/zinc/90/90/32/1368909032.db2.gz HEUADSWUTWXWAV-DYXWJJEUSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H](c1ccccc1F)N1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879633 1368917424 /nfs/dbraw/zinc/91/74/24/1368917424.db2.gz KQBIQFQKWIBUFT-KRWDZBQOSA-N 2 0 349.494 3.153 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598740 1387982591 /nfs/dbraw/zinc/98/25/91/1387982591.db2.gz WKDIVBLGNLFZFR-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001200046162 1369307273 /nfs/dbraw/zinc/30/72/73/1369307273.db2.gz KFWQNYQHANRPSD-GIVPXCGWSA-N 2 0 329.532 3.391 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200507749 1369382499 /nfs/dbraw/zinc/38/24/99/1369382499.db2.gz QKXARTHIYZHGFK-RURPWVQCSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCCC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001113432063 1369423684 /nfs/dbraw/zinc/42/36/84/1369423684.db2.gz IZSOWDDFANXDTD-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001200813751 1369433062 /nfs/dbraw/zinc/43/30/62/1369433062.db2.gz XUBWLTYKFGYEPB-DLBZAZTESA-N 2 0 328.460 3.048 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200829222 1369435329 /nfs/dbraw/zinc/43/53/29/1369435329.db2.gz PSTNYLMLVUQGFT-CQSZACIVSA-N 2 0 337.533 3.050 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC001201321540 1369518753 /nfs/dbraw/zinc/51/87/53/1369518753.db2.gz OVHGXVKNURRLMW-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001201327685 1369520482 /nfs/dbraw/zinc/52/04/82/1369520482.db2.gz PZXWGVBESQWLBM-UHFFFAOYSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201462549 1369550021 /nfs/dbraw/zinc/55/00/21/1369550021.db2.gz RRBXGHFXTWXDPE-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001113674821 1369560056 /nfs/dbraw/zinc/56/00/56/1369560056.db2.gz NRPXBMWHNRZWGL-GOSISDBHSA-N 2 0 345.531 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201526321 1369565681 /nfs/dbraw/zinc/56/56/81/1369565681.db2.gz XDYSHUCXWWLAIC-AABGKKOBSA-N 2 0 332.536 3.493 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(Cl)nc3Cl)cc[nH+]2)CC1 ZINC001201650880 1369596785 /nfs/dbraw/zinc/59/67/85/1369596785.db2.gz HEGAYJMRNDMEAE-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP COc1ccc2ncc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)cc2c1 ZINC001201656696 1369597743 /nfs/dbraw/zinc/59/77/43/1369597743.db2.gz WXEAIADWQGTVOJ-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP COc1cc(Cl)cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201666906 1369602146 /nfs/dbraw/zinc/60/21/46/1369602146.db2.gz HYBFXFPKWVYGMJ-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc4c3C(=O)CCC4)cc[nH+]2)CC1 ZINC001201672871 1369602830 /nfs/dbraw/zinc/60/28/30/1369602830.db2.gz OMPNHCDHEUUWHZ-UHFFFAOYSA-N 2 0 336.439 3.096 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001202077556 1369682651 /nfs/dbraw/zinc/68/26/51/1369682651.db2.gz JEIBZUZXJRXGKH-RTBURBONSA-N 2 0 331.504 3.041 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2C)CC1)[NH+](CC)CC ZINC001202473321 1369783063 /nfs/dbraw/zinc/78/30/63/1369783063.db2.gz IOUHWZDPUOBBTK-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC001202668457 1369843667 /nfs/dbraw/zinc/84/36/67/1369843667.db2.gz MPSWWUVUPBZAEP-SFTDATJTSA-N 2 0 328.500 3.257 20 0 EGADRP Cc1ccc(NC(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c(C)c1 ZINC001202740956 1369875238 /nfs/dbraw/zinc/87/52/38/1369875238.db2.gz VZENCPYQPNTQDD-UHFFFAOYSA-N 2 0 339.443 3.094 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930256 1369929264 /nfs/dbraw/zinc/92/92/64/1369929264.db2.gz SLCZMSFRVJOQTN-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP CCC1(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)COC1 ZINC001202969529 1369941096 /nfs/dbraw/zinc/94/10/96/1369941096.db2.gz YXGCZHYZIQLTQE-WOJBJXKFSA-N 2 0 328.500 3.257 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001187017881 1388041502 /nfs/dbraw/zinc/04/15/02/1388041502.db2.gz BYFPHZUKMOSFFT-ZWKOTPCHSA-N 2 0 325.541 3.125 20 0 EGADRP c1ccc(C[NH+]2CC3(C2)CC[NH+](Cc2cccc4nonc42)CC3)cc1 ZINC001203140292 1369996496 /nfs/dbraw/zinc/99/64/96/1369996496.db2.gz MIFIKHYDAFDAGA-UHFFFAOYSA-N 2 0 348.450 3.321 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187018760 1388041906 /nfs/dbraw/zinc/04/19/06/1388041906.db2.gz WFZQFEIXTOAKOA-IHHMQQGQSA-N 2 0 337.552 3.435 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1)c1ccccc1 ZINC001203215817 1370029125 /nfs/dbraw/zinc/02/91/25/1370029125.db2.gz ZOOBZYCHIMELGT-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC001203314090 1370078186 /nfs/dbraw/zinc/07/81/86/1370078186.db2.gz XGMFEZDGFSVKES-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001203354663 1370095220 /nfs/dbraw/zinc/09/52/20/1370095220.db2.gz FHZZKGCFJQLTOM-SREVYHEPSA-N 2 0 344.503 3.088 20 0 EGADRP COc1cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)ccc1Cl ZINC001203358910 1370097677 /nfs/dbraw/zinc/09/76/77/1370097677.db2.gz ZNOMJCIFTWWJMG-UHFFFAOYSA-N 2 0 346.862 3.108 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001203407296 1370114873 /nfs/dbraw/zinc/11/48/73/1370114873.db2.gz IYEJTIGZUHNMNG-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203507072 1370148184 /nfs/dbraw/zinc/14/81/84/1370148184.db2.gz NYXSBNOBIIYHGO-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632518 1370194551 /nfs/dbraw/zinc/19/45/51/1370194551.db2.gz UBRDBDKUDAAVAE-VGRIIWOTSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632544 1370194618 /nfs/dbraw/zinc/19/46/18/1370194618.db2.gz ULSFPQQNSCGXHV-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203902659 1370307554 /nfs/dbraw/zinc/30/75/54/1370307554.db2.gz HPXRDCXDAPMFGU-SFFCAUCYSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC001203925922 1370316879 /nfs/dbraw/zinc/31/68/79/1370316879.db2.gz ZSCRYQXWLXIXFI-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP CCc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001204175484 1370399370 /nfs/dbraw/zinc/39/93/70/1370399370.db2.gz DOZRPNLIAOSBFX-UHFFFAOYSA-N 2 0 338.499 3.100 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC001204267003 1370426936 /nfs/dbraw/zinc/42/69/36/1370426936.db2.gz CJDMADMBYSRBLV-LJQANCHMSA-N 2 0 339.483 3.402 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535366 1370532077 /nfs/dbraw/zinc/53/20/77/1370532077.db2.gz SRKOZEAUXAIUKW-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115535360 1370532427 /nfs/dbraw/zinc/53/24/27/1370532427.db2.gz SOHQQPBHLSCXFZ-UBAGTECSSA-N 2 0 341.927 3.020 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@@]34CC[NH2+][C@@H]3COCC4)cc2)cc1 ZINC001204631590 1370534047 /nfs/dbraw/zinc/53/40/47/1370534047.db2.gz IPSZVJJYSCPTNU-YADHBBJMSA-N 2 0 336.479 3.435 20 0 EGADRP O=C(c1ccccc1)C1CC[NH+](Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001204645938 1370536187 /nfs/dbraw/zinc/53/61/87/1370536187.db2.gz BSALPVQEHLDWNH-UHFFFAOYSA-N 2 0 334.463 3.427 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540567 1370537414 /nfs/dbraw/zinc/53/74/14/1370537414.db2.gz SMAOQJXYKLHGJY-RTLBZRNLSA-N 2 0 347.547 3.093 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC)CCCCC1 ZINC001115563127 1370563048 /nfs/dbraw/zinc/56/30/48/1370563048.db2.gz QULBIMDRZAGVID-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115562951 1370563109 /nfs/dbraw/zinc/56/31/09/1370563109.db2.gz MUEZLUDZQLINFC-CTWPCTMYSA-N 2 0 349.563 3.316 20 0 EGADRP CC1(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]CC1 ZINC001204748408 1370564489 /nfs/dbraw/zinc/56/44/89/1370564489.db2.gz KZJAAILFBRLQGT-UHFFFAOYSA-N 2 0 341.421 3.217 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573732 1370576598 /nfs/dbraw/zinc/57/65/98/1370576598.db2.gz VKSKXILHLVOJRK-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115579518 1370583004 /nfs/dbraw/zinc/58/30/04/1370583004.db2.gz SFKLEWUXCTWUHO-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC001204854842 1370591516 /nfs/dbraw/zinc/59/15/16/1370591516.db2.gz SXFZHULUHLULMU-HXUWFJFHSA-N 2 0 336.483 3.137 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598009 1370598152 /nfs/dbraw/zinc/59/81/52/1370598152.db2.gz FHKQSIKGPVNCQW-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115697564 1370678678 /nfs/dbraw/zinc/67/86/78/1370678678.db2.gz GWGQCBHMAIKBOA-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730938 1370713846 /nfs/dbraw/zinc/71/38/46/1370713846.db2.gz VJUMGDWBWLALOF-FUHWJXTLSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205306344 1370715333 /nfs/dbraw/zinc/71/53/33/1370715333.db2.gz VOORKRCBQGLNLM-YPMHNXCESA-N 2 0 334.357 3.340 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCCC1)[NH+](C)C ZINC001115734303 1370717375 /nfs/dbraw/zinc/71/73/75/1370717375.db2.gz HPSKKXBRIUENGN-MSOLQXFVSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C[C@H]1C[NH3+] ZINC001205314355 1370718398 /nfs/dbraw/zinc/71/83/98/1370718398.db2.gz BBYFETSPFDITAK-DZGCQCFKSA-N 2 0 331.410 3.444 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC001205318345 1370719934 /nfs/dbraw/zinc/71/99/34/1370719934.db2.gz UJYYHMUTEGVXSA-GJZGRUSLSA-N 2 0 328.456 3.274 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cnc3cc(Br)ccc3c2)C[C@@H]1C[NH3+] ZINC001205319474 1370720766 /nfs/dbraw/zinc/72/07/66/1370720766.db2.gz ZXKXGXKYAPUCHL-DOMZBBRYSA-N 2 0 348.288 3.414 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768948 1370753307 /nfs/dbraw/zinc/75/33/07/1370753307.db2.gz OHMZWPQXYLBEME-OALUTQOASA-N 2 0 347.547 3.378 20 0 EGADRP CCC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001115773244 1370756480 /nfs/dbraw/zinc/75/64/80/1370756480.db2.gz TXJXSXLEPSYJAQ-UHFFFAOYSA-N 2 0 331.504 3.181 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCCC1 ZINC001115777141 1370760182 /nfs/dbraw/zinc/76/01/82/1370760182.db2.gz CKTFBSVCLUKWCS-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115778636 1370761524 /nfs/dbraw/zinc/76/15/24/1370761524.db2.gz JJHGWBLBGZCSQQ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115787339 1370769890 /nfs/dbraw/zinc/76/98/90/1370769890.db2.gz XSDZVIKNEQFMBG-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205519086 1370778418 /nfs/dbraw/zinc/77/84/18/1370778418.db2.gz UWDLMCVPXGJZMT-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2F)CC[C@H]1C[NH3+] ZINC001205601005 1370807202 /nfs/dbraw/zinc/80/72/02/1370807202.db2.gz CUAKVJZAKXOUEW-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(Br)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205626916 1370816692 /nfs/dbraw/zinc/81/66/92/1370816692.db2.gz KPQRIIUSFGONHD-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205636016 1370820860 /nfs/dbraw/zinc/82/08/60/1370820860.db2.gz BQOMPPZBFLJTRW-YPMHNXCESA-N 2 0 332.366 3.098 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205653278 1370828698 /nfs/dbraw/zinc/82/86/98/1370828698.db2.gz SKIFXXRGRAMDLT-HUUCEWRRSA-N 2 0 332.879 3.333 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001205663747 1370833973 /nfs/dbraw/zinc/83/39/73/1370833973.db2.gz KOOCHMYRIVQAOZ-HXUWFJFHSA-N 2 0 326.440 3.155 20 0 EGADRP Cc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1Oc1ccccc1 ZINC001205735739 1370855334 /nfs/dbraw/zinc/85/53/34/1370855334.db2.gz QENRCDAUKFXWRP-OAQYLSRUSA-N 2 0 340.467 3.463 20 0 EGADRP COc1cc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001205795184 1370873640 /nfs/dbraw/zinc/87/36/40/1370873640.db2.gz DGZVURKWVNOGJX-MRXNPFEDSA-N 2 0 347.409 3.173 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)n(C)n1 ZINC001205890412 1370901523 /nfs/dbraw/zinc/90/15/23/1370901523.db2.gz KHXSHYBDXXDBTA-LJQANCHMSA-N 2 0 342.487 3.198 20 0 EGADRP Fc1cc(-c2cccc(N3CC[NH2+]CC3)c2)ccc1[C@H]1CCC[NH2+]1 ZINC001205929478 1370915023 /nfs/dbraw/zinc/91/50/23/1370915023.db2.gz LDJCGWDKPKJLPP-HXUWFJFHSA-N 2 0 325.431 3.327 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(Br)ccc2F)CCC[C@H]1C[NH3+] ZINC001205994023 1370933067 /nfs/dbraw/zinc/93/30/67/1370933067.db2.gz ITVUVBRJPMGAOT-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[N@H+](Cc2c(F)cccc2Br)CCC[C@@H]1C[NH3+] ZINC001205996188 1370933489 /nfs/dbraw/zinc/93/34/89/1370933489.db2.gz VUJMDDFQFJSMLR-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206012821 1370938329 /nfs/dbraw/zinc/93/83/29/1370938329.db2.gz ODGLXNSLSJKGAX-CABCVRRESA-N 2 0 332.879 3.333 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccnc(Cl)c2Br)CCC[C@@H]1C[NH3+] ZINC001206026849 1370942380 /nfs/dbraw/zinc/94/23/80/1370942380.db2.gz UJASRDSXGXPOCU-WDEREUQCSA-N 2 0 346.700 3.304 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CCC[C@H]1C[NH3+] ZINC001206028770 1370943245 /nfs/dbraw/zinc/94/32/45/1370943245.db2.gz ZALPYBZBGZCQIA-OLZOCXBDSA-N 2 0 334.414 3.162 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c[nH]c2c1 ZINC001206036867 1370945984 /nfs/dbraw/zinc/94/59/84/1370945984.db2.gz SANVBKRSTGORSR-ZBFHGGJFSA-N 2 0 343.471 3.151 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c2c1 ZINC001206211733 1370993996 /nfs/dbraw/zinc/99/39/96/1370993996.db2.gz PIKDTGWYMKKVRV-MSOLQXFVSA-N 2 0 332.419 3.118 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc4c(c3)CC(=O)N4)c2)CC1 ZINC001206228647 1370997801 /nfs/dbraw/zinc/99/78/01/1370997801.db2.gz NYPGQPVHARFZGA-UHFFFAOYSA-N 2 0 335.451 3.019 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1)[NH+](CC)CC ZINC001206245099 1371001665 /nfs/dbraw/zinc/00/16/65/1371001665.db2.gz BXAYSDSTLVTCOS-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206275152 1371010088 /nfs/dbraw/zinc/01/00/88/1371010088.db2.gz ONHOYJKEWCLWPH-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206295794 1371014062 /nfs/dbraw/zinc/01/40/62/1371014062.db2.gz NTULIMLTDJRLAZ-HXUWFJFHSA-N 2 0 332.488 3.247 20 0 EGADRP Cc1nc(Cl)c(CC[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)n1 ZINC001206296511 1371014411 /nfs/dbraw/zinc/01/44/11/1371014411.db2.gz TXGAPRZMACXUMK-HNNXBMFYSA-N 2 0 331.291 3.085 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206317459 1371019999 /nfs/dbraw/zinc/01/99/99/1371019999.db2.gz GCJZDBVADITVJF-INIZCTEOSA-N 2 0 341.293 3.409 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001206324363 1371022384 /nfs/dbraw/zinc/02/23/84/1371022384.db2.gz AITPDXALZBOSDO-GOSISDBHSA-N 2 0 332.879 3.477 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccccc2Oc2cnccn2)CC1 ZINC001206326810 1371023130 /nfs/dbraw/zinc/02/31/30/1371023130.db2.gz PGXGGKCLVJIEPD-LJQANCHMSA-N 2 0 326.444 3.220 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001206542290 1371087239 /nfs/dbraw/zinc/08/72/39/1371087239.db2.gz XFKZDHKYBRTCTB-MRXNPFEDSA-N 2 0 325.294 3.443 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001206548144 1371089765 /nfs/dbraw/zinc/08/97/65/1371089765.db2.gz HOKIYAWLZPTCFM-LJQANCHMSA-N 2 0 326.444 3.220 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206550007 1371091548 /nfs/dbraw/zinc/09/15/48/1371091548.db2.gz SWGFIQSIFDAGQJ-OAQYLSRUSA-N 2 0 340.515 3.499 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(OC3CCOCC3)cc2)C1 ZINC001206554430 1371092720 /nfs/dbraw/zinc/09/27/20/1371092720.db2.gz CHKHMNXFOYNTGN-FQEVSTJZSA-N 2 0 332.488 3.195 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001206573769 1371097315 /nfs/dbraw/zinc/09/73/15/1371097315.db2.gz NTZQPOICKZWWAL-SFHVURJKSA-N 2 0 332.879 3.477 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001206573768 1371097766 /nfs/dbraw/zinc/09/77/66/1371097766.db2.gz NTZQPOICKZWWAL-GOSISDBHSA-N 2 0 332.879 3.477 20 0 EGADRP CC(C)[N@H+](Cc1cccc2c1OC(F)(F)O2)[C@H]1CCC[NH2+]CC1 ZINC001206589145 1371101269 /nfs/dbraw/zinc/10/12/69/1371101269.db2.gz GARUBGFXGVKLPY-AWEZNQCLSA-N 2 0 326.387 3.361 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206622188 1371111880 /nfs/dbraw/zinc/11/18/80/1371111880.db2.gz ZYVIDWRXXQLJLU-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCCOc1ncccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755381 1371154967 /nfs/dbraw/zinc/15/49/67/1371154967.db2.gz FLXGZUNYQNHFTR-UHFFFAOYSA-N 2 0 339.483 3.363 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206809625 1371175991 /nfs/dbraw/zinc/17/59/91/1371175991.db2.gz LZJVUDCCWOBEIR-HOTGVXAUSA-N 2 0 325.456 3.316 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869198 1371197561 /nfs/dbraw/zinc/19/75/61/1371197561.db2.gz XHNCDRGBJKEJKU-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206947583 1371240164 /nfs/dbraw/zinc/24/01/64/1371240164.db2.gz BGHXFLQMMUUMOU-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc[nH]c1=O)CC2 ZINC001207004617 1371264604 /nfs/dbraw/zinc/26/46/04/1371264604.db2.gz OUTBUKJMHWGKIJ-SFHVURJKSA-N 2 0 341.455 3.257 20 0 EGADRP CC(C)(O)C[NH+]1CCC(Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001119450176 1371345557 /nfs/dbraw/zinc/34/55/57/1371345557.db2.gz DGZMMDHTSOBFIH-UHFFFAOYSA-N 2 0 345.531 3.320 20 0 EGADRP COC(=O)CC[C@@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292566 1371352326 /nfs/dbraw/zinc/35/23/26/1371352326.db2.gz USTGZDQQWMGBEN-LJQANCHMSA-N 2 0 344.499 3.174 20 0 EGADRP CC[N@H+](C)C1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207293196 1371352626 /nfs/dbraw/zinc/35/26/26/1371352626.db2.gz FJNUBEPSGRZGCP-UHFFFAOYSA-N 3 0 329.532 3.315 20 0 EGADRP C[C@H]1C[C@H]2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)CC[C@H]2O1 ZINC001207289485 1371352792 /nfs/dbraw/zinc/35/27/92/1371352792.db2.gz PMGANFWHCHBRNX-DZFGPLHGSA-N 2 0 328.500 3.398 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)CCc2c(Cl)ncnc2Cl)CC1 ZINC001207328348 1371362561 /nfs/dbraw/zinc/36/25/61/1371362561.db2.gz RFHWYJNANFLVEZ-UHFFFAOYSA-N 2 0 345.318 3.378 20 0 EGADRP CC[N@H+](Cc1ccccc1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207398428 1371383986 /nfs/dbraw/zinc/38/39/86/1371383986.db2.gz OPDPZLXHYQFYOF-UHFFFAOYSA-N 3 0 329.532 3.315 20 0 EGADRP CN(Cc1ccccc1F)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399898 1371384871 /nfs/dbraw/zinc/38/48/71/1371384871.db2.gz YQKLLIIXUXGOLF-UHFFFAOYSA-N 2 0 333.495 3.064 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207401522 1371385847 /nfs/dbraw/zinc/38/58/47/1371385847.db2.gz ORIBNYPRNNJWTL-UXHICEINSA-N 2 0 344.499 3.487 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001207480087 1371408623 /nfs/dbraw/zinc/40/86/23/1371408623.db2.gz UAQUGYGHFPGUNN-LJQANCHMSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207488375 1371411462 /nfs/dbraw/zinc/41/14/62/1371411462.db2.gz JXZXYDPARCERGI-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC(n3cnc4ccccc43)CC2)CC1 ZINC001207488434 1371412025 /nfs/dbraw/zinc/41/20/25/1371412025.db2.gz LAPFKGBKYQOXNB-UHFFFAOYSA-N 2 0 326.488 3.405 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001207488128 1371412068 /nfs/dbraw/zinc/41/20/68/1371412068.db2.gz FJJUAHSPXSXPKG-UHFFFAOYSA-N 2 0 341.543 3.316 20 0 EGADRP Cc1cccc(CC[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001207532642 1371427456 /nfs/dbraw/zinc/42/74/56/1371427456.db2.gz ABDOVMXTOUYIBN-UHFFFAOYSA-N 2 0 330.516 3.362 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001119987979 1371442955 /nfs/dbraw/zinc/44/29/55/1371442955.db2.gz DAQOXZIQMITBGT-LNLFQRSKSA-N 2 0 339.483 3.406 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)C[C@H]2C1 ZINC001119988982 1371443424 /nfs/dbraw/zinc/44/34/24/1371443424.db2.gz MOWFPISXZTUUCL-BZUAXINKSA-N 2 0 330.501 3.096 20 0 EGADRP CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCCCC1 ZINC001119994003 1371447025 /nfs/dbraw/zinc/44/70/25/1371447025.db2.gz YOKYUSPPYLSZMB-SFHVURJKSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001120005434 1371451978 /nfs/dbraw/zinc/45/19/78/1371451978.db2.gz QDYCFKWIBATTKL-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010370 1371454342 /nfs/dbraw/zinc/45/43/42/1371454342.db2.gz OZXUNQKBYXZSEY-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1 ZINC001120046199 1371468178 /nfs/dbraw/zinc/46/81/78/1371468178.db2.gz QNSKTIZIICDTNM-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130068 1371491857 /nfs/dbraw/zinc/49/18/57/1371491857.db2.gz UECUIBDTMIERNO-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189733 1371503093 /nfs/dbraw/zinc/50/30/93/1371503093.db2.gz QBLOTIRSHNHXOQ-ROUUACIJSA-N 2 0 335.536 3.234 20 0 EGADRP CN(C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)c1ccccc1 ZINC001120212800 1371505911 /nfs/dbraw/zinc/50/59/11/1371505911.db2.gz BABZVNLWHHGNLY-IBGZPJMESA-N 2 0 343.515 3.108 20 0 EGADRP CC1(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)COC1 ZINC001207801341 1371508238 /nfs/dbraw/zinc/50/82/38/1371508238.db2.gz JWZGWVKXUAZFHG-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP Cc1ccc(CCC[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)o1 ZINC001207943105 1371545201 /nfs/dbraw/zinc/54/52/01/1371545201.db2.gz BLNVENNKALDBFS-TZIWHRDSSA-N 2 0 346.515 3.201 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001120401495 1371562201 /nfs/dbraw/zinc/56/22/01/1371562201.db2.gz KEFMUECEGVJNOY-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423042 1371569977 /nfs/dbraw/zinc/56/99/77/1371569977.db2.gz RBPLNIQSYSSOPR-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430543 1371574507 /nfs/dbraw/zinc/57/45/07/1371574507.db2.gz LOWXWMHKKMEJMQ-SLVIYJBESA-N 2 0 349.563 3.388 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048307 1371579291 /nfs/dbraw/zinc/57/92/91/1371579291.db2.gz GDSCCVZFWMOBKM-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208107463 1371596905 /nfs/dbraw/zinc/59/69/05/1371596905.db2.gz TVNRDKJZKWBXGI-UHFFFAOYSA-N 2 0 342.531 3.154 20 0 EGADRP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001208108056 1371597193 /nfs/dbraw/zinc/59/71/93/1371597193.db2.gz OPOLVCDCLBZJCK-MOPGFXCFSA-N 2 0 329.532 3.313 20 0 EGADRP CC1=C[C@@H](C)[C@H](C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001208166755 1371615206 /nfs/dbraw/zinc/61/52/06/1371615206.db2.gz BZSBOBCRSXPUOU-MOPGFXCFSA-N 2 0 342.531 3.329 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326310785 1388149795 /nfs/dbraw/zinc/14/97/95/1388149795.db2.gz JYNKGAKFSRXWST-HNNXBMFYSA-N 2 0 347.528 3.201 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208332090 1371721435 /nfs/dbraw/zinc/72/14/35/1371721435.db2.gz ZXKMPYNTXIGJSR-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208332089 1371721495 /nfs/dbraw/zinc/72/14/95/1371721495.db2.gz ZXKMPYNTXIGJSR-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334564 1371722409 /nfs/dbraw/zinc/72/24/09/1371722409.db2.gz JXIFYWSHLRKJMR-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1)[NH+](C)C ZINC001208413803 1371758654 /nfs/dbraw/zinc/75/86/54/1371758654.db2.gz BNTASFAQRYQQAD-VXDDHJSKSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001208447072 1371768908 /nfs/dbraw/zinc/76/89/08/1371768908.db2.gz HCQCPHWXACLTBH-MAUKXSAKSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208454060 1371772344 /nfs/dbraw/zinc/77/23/44/1371772344.db2.gz RTDIGZCQFFZYTA-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1c(C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001208467394 1371779927 /nfs/dbraw/zinc/77/99/27/1371779927.db2.gz LCRWKHQZFCSVPK-MRXNPFEDSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208474467 1371781140 /nfs/dbraw/zinc/78/11/40/1371781140.db2.gz LSSDINOXQJDXNQ-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208474734 1371781374 /nfs/dbraw/zinc/78/13/74/1371781374.db2.gz OXNITVMSEHHNHP-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475855 1371781944 /nfs/dbraw/zinc/78/19/44/1371781944.db2.gz ZWEPPPYOYKFVTE-CQQBRXBZSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@H+](C)[C@@H]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590036 1371831973 /nfs/dbraw/zinc/83/19/73/1371831973.db2.gz BPEZWZVZDTZJBE-NHCUHLMSSA-N 2 0 329.532 3.456 20 0 EGADRP CC(C)[N@@H+]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC001208593823 1371833070 /nfs/dbraw/zinc/83/30/70/1371833070.db2.gz JHQGXAGTBGEBLX-PZJWPPBQSA-N 2 0 329.532 3.456 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001208597045 1371834894 /nfs/dbraw/zinc/83/48/94/1371834894.db2.gz BEBWEHMCPJVBOI-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(c3cccc(C(=O)OC)c3)CC2)CC1 ZINC001208601018 1371836419 /nfs/dbraw/zinc/83/64/19/1371836419.db2.gz JCGZWURSYLUUAH-UHFFFAOYSA-N 2 0 344.499 3.385 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208602515 1371836431 /nfs/dbraw/zinc/83/64/31/1371836431.db2.gz GMOBBDMWUSEOKG-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001208600387 1371836484 /nfs/dbraw/zinc/83/64/84/1371836484.db2.gz QGRQVMIJNFQSFT-GOSISDBHSA-N 2 0 332.488 3.270 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605487 1371838460 /nfs/dbraw/zinc/83/84/60/1371838460.db2.gz AQUPNCFTIFXUJQ-MNAPGUCWSA-N 2 0 341.543 3.439 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001208732566 1371877716 /nfs/dbraw/zinc/87/77/16/1371877716.db2.gz HIUWOOJVVFXMLX-AABGKKOBSA-N 2 0 332.536 3.493 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001208757609 1371885505 /nfs/dbraw/zinc/88/55/05/1371885505.db2.gz FMSMEFOMUBPZLG-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)CCCC1 ZINC001208767666 1371889378 /nfs/dbraw/zinc/88/93/78/1371889378.db2.gz BQWOWXZEJLKIBI-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP COCC[N@H+](CCCCCOCc1ccccc1)C1CCN(C)CC1 ZINC001208813598 1371903598 /nfs/dbraw/zinc/90/35/98/1371903598.db2.gz NECHNFUUCDOURX-UHFFFAOYSA-N 2 0 348.531 3.416 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294972 1371926274 /nfs/dbraw/zinc/92/62/74/1371926274.db2.gz KBZDMEROIQGAGS-CGAYHSHTSA-N 2 0 349.563 3.170 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2)[NH+](C)C ZINC001121301885 1371928773 /nfs/dbraw/zinc/92/87/73/1371928773.db2.gz FSWMQUMBOQTPIE-MBEFBZSESA-N 2 0 347.547 3.234 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2 ZINC001121318334 1371934759 /nfs/dbraw/zinc/93/47/59/1371934759.db2.gz FNPJXTWVIFAADP-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121326126 1371937452 /nfs/dbraw/zinc/93/74/52/1371937452.db2.gz VVPVUHALNMQKSE-UHFFFAOYSA-N 2 0 337.552 3.170 20 0 EGADRP C[C@]1(CO)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208933023 1371951714 /nfs/dbraw/zinc/95/17/14/1371951714.db2.gz SRXUHLXMOVCKGO-RTWAWAEBSA-N 2 0 330.516 3.383 20 0 EGADRP COC(=O)CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208933751 1371952061 /nfs/dbraw/zinc/95/20/61/1371952061.db2.gz GOQMQCYFIIILJR-HXUWFJFHSA-N 2 0 344.499 3.174 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950105 1371959975 /nfs/dbraw/zinc/95/99/75/1371959975.db2.gz PSGQATOHADXUTH-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP F[C@@H]1COC2(C1)CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208952977 1371961118 /nfs/dbraw/zinc/96/11/18/1371961118.db2.gz NBLOXYPGPLVBIA-MOPGFXCFSA-N 2 0 332.463 3.102 20 0 EGADRP C[N@H+](C1CC1)C1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208959667 1371962957 /nfs/dbraw/zinc/96/29/57/1371962957.db2.gz SUEXEBDGWQJTHA-LJQANCHMSA-N 2 0 327.516 3.067 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209206184 1372038863 /nfs/dbraw/zinc/03/88/63/1372038863.db2.gz YUTDQOKCTMQIJO-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP COCCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209215311 1372040271 /nfs/dbraw/zinc/04/02/71/1372040271.db2.gz KQDWBHRJTFTGIS-HXUWFJFHSA-N 2 0 346.515 3.169 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](CCCCCc3ccccc3)CC2)CC1 ZINC001209230447 1372044655 /nfs/dbraw/zinc/04/46/55/1372044655.db2.gz XQHNUOZSZCCEJF-UHFFFAOYSA-N 2 0 329.532 3.111 20 0 EGADRP CC[C@H]([NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1)c1ccccc1 ZINC001121695872 1372049359 /nfs/dbraw/zinc/04/93/59/1372049359.db2.gz CVWWGEWCFREBPU-FCOWATRHSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@@H]1CC(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C[C@@H](C)O1 ZINC001209392283 1372088394 /nfs/dbraw/zinc/08/83/94/1372088394.db2.gz YOXAFBWYMJXNIR-JYWFKMLOSA-N 2 0 328.500 3.254 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)CC1C[C@H](C)O[C@@H](C)C1 ZINC001209398570 1372091793 /nfs/dbraw/zinc/09/17/93/1372091793.db2.gz PBCPSPGJFQYXJO-OALUTQOASA-N 2 0 341.584 3.176 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC001121848924 1372101091 /nfs/dbraw/zinc/10/10/91/1372101091.db2.gz SYELGQCGWMNDRH-FOIVRNNFSA-N 2 0 344.503 3.208 20 0 EGADRP c1ccc(C[NH+]2CC3(C2)CCN(CCC[NH+]2CCCCC2)CC3)cc1 ZINC001209450383 1372109266 /nfs/dbraw/zinc/10/92/66/1372109266.db2.gz ICCHOUUSZCQIRL-UHFFFAOYSA-N 2 0 341.543 3.460 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCN(CCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001209453711 1372110139 /nfs/dbraw/zinc/11/01/39/1372110139.db2.gz KNAWFMVTULEBIR-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP Cn1nc2ccccc2c1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001209542201 1372133224 /nfs/dbraw/zinc/13/32/24/1372133224.db2.gz JMYLJYLTOMXOGD-UHFFFAOYSA-N 2 0 326.488 3.127 20 0 EGADRP Cc1[nH]c2ncccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209588784 1372144766 /nfs/dbraw/zinc/14/47/66/1372144766.db2.gz SUAGSSCLJYYHHX-KDURUIRLSA-N 2 0 346.478 3.435 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)[NH+](CC)CC ZINC001209590036 1372145659 /nfs/dbraw/zinc/14/56/59/1372145659.db2.gz RTSLRBLPUSSOMJ-MOPGFXCFSA-N 2 0 349.494 3.027 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122100922 1372174134 /nfs/dbraw/zinc/17/41/34/1372174134.db2.gz GIKFHZJPVKURBT-SREVYHEPSA-N 2 0 335.536 3.092 20 0 EGADRP Cn1cc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)c2cccnc21 ZINC001209749818 1372183481 /nfs/dbraw/zinc/18/34/81/1372183481.db2.gz AONGHNVABIHYPP-UHFFFAOYSA-N 2 0 331.423 3.391 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122248483 1372211882 /nfs/dbraw/zinc/21/18/82/1372211882.db2.gz ITDLUBUXPKPEHI-SSBRDVDXSA-N 2 0 349.563 3.170 20 0 EGADRP [NH3+]CCN1CC[NH+](Cc2ccc3sc4ccccc4c3c2)CC1 ZINC001210027466 1372259286 /nfs/dbraw/zinc/25/92/86/1372259286.db2.gz DMJDDBAROGSPRC-UHFFFAOYSA-N 2 0 325.481 3.131 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210183746 1372290818 /nfs/dbraw/zinc/29/08/18/1372290818.db2.gz ROUDMNYDWIMEPN-FNQPIQQGSA-N 2 0 337.552 3.435 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190185 1372291599 /nfs/dbraw/zinc/29/15/99/1372291599.db2.gz RVTCRDCXSXMLLJ-OALUTQOASA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210217907 1372295806 /nfs/dbraw/zinc/29/58/06/1372295806.db2.gz OAIHVPLLGUXJIC-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP Cc1cc(O)c(C(C)C)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266678 1372310648 /nfs/dbraw/zinc/31/06/48/1372310648.db2.gz QANQENVVBYNFEA-UHFFFAOYSA-N 2 0 326.444 3.372 20 0 EGADRP CC1(C)CCc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc2O1 ZINC001210270708 1372312032 /nfs/dbraw/zinc/31/20/32/1372312032.db2.gz KIJIRZTUANRGSP-UHFFFAOYSA-N 2 0 338.455 3.338 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210411573 1372345490 /nfs/dbraw/zinc/34/54/90/1372345490.db2.gz HRIKANGSKYXINM-JTDSTZFVSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccccc1 ZINC001210492898 1372366183 /nfs/dbraw/zinc/36/61/83/1372366183.db2.gz FPUNUAXHTBUIQH-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593763 1372386452 /nfs/dbraw/zinc/38/64/52/1372386452.db2.gz FAXFQTIZINDLNF-WUUFJKRQSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593740 1372386644 /nfs/dbraw/zinc/38/66/44/1372386644.db2.gz DJLHXHXSVAIFRN-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210614765 1372391765 /nfs/dbraw/zinc/39/17/65/1372391765.db2.gz JEHOBYYGBPLRFY-PZJWPPBQSA-N 2 0 345.531 3.234 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210744027 1372417677 /nfs/dbraw/zinc/41/76/77/1372417677.db2.gz NHFUCJZXQOSDAI-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210744033 1372417684 /nfs/dbraw/zinc/41/76/84/1372417684.db2.gz NJMRDCNCTIWHGE-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001210743215 1372417698 /nfs/dbraw/zinc/41/76/98/1372417698.db2.gz GXTLXRMXJKFSSN-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094514 1372484541 /nfs/dbraw/zinc/48/45/41/1372484541.db2.gz CVLLXUKEKNQSFF-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211258129 1372514119 /nfs/dbraw/zinc/51/41/19/1372514119.db2.gz YUELVVVTEAIRFF-XSXCZSQGSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262046 1372514985 /nfs/dbraw/zinc/51/49/85/1372514985.db2.gz KTMUTXBYFAWFRL-CQQBRXBZSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cccc3c(Cl)ccnc23)no1 ZINC001212338041 1372690841 /nfs/dbraw/zinc/69/08/41/1372690841.db2.gz LAFUAZITPDPEJU-KRWDZBQOSA-N 2 0 345.834 3.241 20 0 EGADRP COc1cc(N2CC[NH2+]CC2)ccc1Nc1cc(C)[nH+]c2ccccc12 ZINC001213884393 1372974390 /nfs/dbraw/zinc/97/43/90/1372974390.db2.gz OGNAEXQOSCSAOS-UHFFFAOYSA-N 2 0 348.450 3.127 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001127065896 1373078948 /nfs/dbraw/zinc/07/89/48/1373078948.db2.gz GUULPZYZWTYCIY-YLJYHZDGSA-N 2 0 345.531 3.450 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001215027368 1373158810 /nfs/dbraw/zinc/15/88/10/1373158810.db2.gz QHDBKFIHVISOFY-XWMIQMMGSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583407 1388247622 /nfs/dbraw/zinc/24/76/22/1388247622.db2.gz ISHBOSYVOJCQEF-CQSZACIVSA-N 2 0 335.879 3.133 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001188139861 1388248254 /nfs/dbraw/zinc/24/82/54/1388248254.db2.gz SWQCASNSJPLUST-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)c1ccccc1 ZINC001215568979 1373213671 /nfs/dbraw/zinc/21/36/71/1373213671.db2.gz UCYXYQPVJMPYSZ-ZIFCJYIRSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001188145395 1388250017 /nfs/dbraw/zinc/25/00/17/1388250017.db2.gz DXDRLKPVTYLKKF-LJQANCHMSA-N 2 0 345.531 3.015 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC001128543763 1373287050 /nfs/dbraw/zinc/28/70/50/1373287050.db2.gz FSACHOLLGXSPEC-KRWDZBQOSA-N 2 0 345.512 3.280 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001128743345 1373307549 /nfs/dbraw/zinc/30/75/49/1373307549.db2.gz BZWXMSGWJPDJOG-RBUKOAKNSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001216490613 1373311850 /nfs/dbraw/zinc/31/18/50/1373311850.db2.gz GRQCAERAMSTKSO-JTDSTZFVSA-N 2 0 349.494 3.055 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001216829212 1373348664 /nfs/dbraw/zinc/34/86/64/1373348664.db2.gz SARQLFLZGYEWEP-LDBCMITESA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001216852211 1373351497 /nfs/dbraw/zinc/35/14/97/1373351497.db2.gz RZMUCQBKEVGZDK-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217704101 1373490711 /nfs/dbraw/zinc/49/07/11/1373490711.db2.gz SNMLWXQLSVUUOT-ILXRZTDVSA-N 2 0 334.851 3.384 20 0 EGADRP C[NH2+][C@H](c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1)C(C)(C)C ZINC001217737194 1373497095 /nfs/dbraw/zinc/49/70/95/1373497095.db2.gz UPKOJODOYUMZKX-HZPDHXFCSA-N 2 0 328.460 3.366 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CO[C@@H]3CCC[C@@]34CC[NH2+]C4)C2)cc1 ZINC001217803134 1373502062 /nfs/dbraw/zinc/50/20/62/1373502062.db2.gz PNRIDVGEHOMYEA-HBMCJLEFSA-N 2 0 328.500 3.447 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC001130622666 1373571806 /nfs/dbraw/zinc/57/18/06/1373571806.db2.gz TZWXIEXKSXWQBW-OAHLLOKOSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001130658484 1373576504 /nfs/dbraw/zinc/57/65/04/1373576504.db2.gz ABYLGXPHJDJNGH-IBGZPJMESA-N 2 0 336.439 3.113 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218334737 1373598878 /nfs/dbraw/zinc/59/88/78/1373598878.db2.gz FSDVYHLESLUSLS-OXQOHEQNSA-N 2 0 337.467 3.017 20 0 EGADRP CN(C)c1cc[nH+]cc1NC(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC001218563424 1373633830 /nfs/dbraw/zinc/63/38/30/1373633830.db2.gz PSUWKKFGHJMWQW-KRWDZBQOSA-N 2 0 334.423 3.329 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)C[C@@H]3Cc4ccccc4C[NH2+]3)cc2)CCC1 ZINC001218971724 1373672693 /nfs/dbraw/zinc/67/26/93/1373672693.db2.gz BJWCJENJBHRBED-IBGZPJMESA-N 2 0 335.451 3.068 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1ccccc1C1CC[NH2+]CC1 ZINC001219000165 1373677292 /nfs/dbraw/zinc/67/72/92/1373677292.db2.gz ZDJPSTBBGGOJQJ-GOSISDBHSA-N 2 0 349.478 3.483 20 0 EGADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001218999362 1373677496 /nfs/dbraw/zinc/67/74/96/1373677496.db2.gz TVOMYAXJYUUGJP-ICSRJNTNSA-N 2 0 335.451 3.440 20 0 EGADRP CC(C)Oc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(Cl)cc1Cl ZINC001219123955 1373688791 /nfs/dbraw/zinc/68/87/91/1373688791.db2.gz FQWMGWVIHPUAJI-LBPRGKRZSA-N 2 0 348.274 3.175 20 0 EGADRP O=C(Nc1cccc(-c2cccs2)c1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219272035 1373697572 /nfs/dbraw/zinc/69/75/72/1373697572.db2.gz ZVRJIFJWYQBYJV-INIZCTEOSA-N 2 0 341.480 3.228 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001221920450 1373804116 /nfs/dbraw/zinc/80/41/16/1373804116.db2.gz GDXVAALNPINDOY-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222071973 1373815672 /nfs/dbraw/zinc/81/56/72/1373815672.db2.gz FGXXLHYGLDDJQI-IAGOWNOFSA-N 2 0 349.519 3.362 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815522 1373819244 /nfs/dbraw/zinc/81/92/44/1373819244.db2.gz HOWZNJWNTWEJMY-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP COC(=O)Cc1cccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222172766 1373819330 /nfs/dbraw/zinc/81/93/30/1373819330.db2.gz NWDRZQWRVIFHRB-OAQYLSRUSA-N 2 0 344.499 3.148 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001131815732 1373819481 /nfs/dbraw/zinc/81/94/81/1373819481.db2.gz RCSQJWRQMPQFGL-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CN(C)c1cc[nH+]cc1NC(=O)c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001188301206 1388286686 /nfs/dbraw/zinc/28/66/86/1388286686.db2.gz NKUBEBJFZJWYMJ-UHFFFAOYSA-N 2 0 338.455 3.209 20 0 EGADRP C[NH+]1CCC(c2ccc(C(=O)Nc3ccn4ccnc4c3)cc2)CC1 ZINC001188305926 1388287486 /nfs/dbraw/zinc/28/74/86/1388287486.db2.gz LQQQLSHAPCSWKV-UHFFFAOYSA-N 2 0 334.423 3.396 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962508 1375049861 /nfs/dbraw/zinc/04/98/61/1375049861.db2.gz RIVNZHLISWRLRC-KGMDJONISA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739213 1375072607 /nfs/dbraw/zinc/07/26/07/1375072607.db2.gz KJVAEQGYWOVBTP-PXPVJAHISA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001225087532 1375092167 /nfs/dbraw/zinc/09/21/67/1375092167.db2.gz HPUZMKBJPNJFCN-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001225087544 1375092209 /nfs/dbraw/zinc/09/22/09/1375092209.db2.gz HYIBMDLNQYAKTB-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)C)C1 ZINC001132154277 1375174381 /nfs/dbraw/zinc/17/43/81/1375174381.db2.gz YCMLXOWMQWSOMZ-IAGOWNOFSA-N 2 0 325.541 3.122 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207223 1375208774 /nfs/dbraw/zinc/20/87/74/1375208774.db2.gz RJWJWKCCNLVBBS-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CCC1CC1 ZINC001132212134 1375212701 /nfs/dbraw/zinc/21/27/01/1375212701.db2.gz UEWKIVHWRCRQAT-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212365 1375212950 /nfs/dbraw/zinc/21/29/50/1375212950.db2.gz XFJDQYQDOQBGAG-ZWKOTPCHSA-N 2 0 337.552 3.410 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001226267180 1375230160 /nfs/dbraw/zinc/23/01/60/1375230160.db2.gz CTHZYAQVFOIHBT-KZNAEPCWSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c(C)c1 ZINC001132266453 1375255212 /nfs/dbraw/zinc/25/52/12/1375255212.db2.gz XHQPVPBHAQTGPW-MOPGFXCFSA-N 2 0 345.531 3.033 20 0 EGADRP CCCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132273148 1375258632 /nfs/dbraw/zinc/25/86/32/1375258632.db2.gz DLKSZKJRGNWTPR-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001226613518 1375292130 /nfs/dbraw/zinc/29/21/30/1375292130.db2.gz JTOMTKXXLYJTPL-UWCDRFHNSA-N 2 0 335.536 3.234 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340275 1375319811 /nfs/dbraw/zinc/31/98/11/1375319811.db2.gz PLEJRQRZOGMZFE-YKMDAGRBSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226782441 1375332108 /nfs/dbraw/zinc/33/21/08/1375332108.db2.gz NBRKWBDHQWXNOL-RCCFBDPRSA-N 2 0 337.552 3.170 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001226782854 1375333719 /nfs/dbraw/zinc/33/37/19/1375333719.db2.gz SZQBIQYRGBLKOR-CSODTCANSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001226889688 1375352903 /nfs/dbraw/zinc/35/29/03/1375352903.db2.gz AHNLFLSDGVORQT-XUVXKRRUSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132409556 1375359179 /nfs/dbraw/zinc/35/91/79/1375359179.db2.gz AWFRNRFGEDKZPA-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132420282 1375369465 /nfs/dbraw/zinc/36/94/65/1375369465.db2.gz PZJIRFJQJYPKMV-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1F ZINC001132432056 1375377577 /nfs/dbraw/zinc/37/75/77/1375377577.db2.gz AXKDPMOEPSOMQT-FUHWJXTLSA-N 2 0 349.494 3.027 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435389 1375379224 /nfs/dbraw/zinc/37/92/24/1375379224.db2.gz CMMKLVFLMPGKER-TYFAACHXSA-N 2 0 337.552 3.434 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435391 1375380137 /nfs/dbraw/zinc/38/01/37/1375380137.db2.gz CMMKLVFLMPGKER-WARJXXDVSA-N 2 0 337.552 3.434 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(CC)CC)C1 ZINC001132436344 1375380951 /nfs/dbraw/zinc/38/09/51/1375380951.db2.gz KRCBLIKEGNWEOE-SJLPKXTDSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132441268 1375384449 /nfs/dbraw/zinc/38/44/49/1375384449.db2.gz MSMOSLKWXBPJJW-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC001227166927 1375400861 /nfs/dbraw/zinc/40/08/61/1375400861.db2.gz WPGTZRVQNGISIV-BRWVUGGUSA-N 2 0 346.519 3.030 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132518131 1375435521 /nfs/dbraw/zinc/43/55/21/1375435521.db2.gz IWGPDEBYSKICDG-IEBWSBKVSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)c(C)c1 ZINC001132518978 1375436722 /nfs/dbraw/zinc/43/67/22/1375436722.db2.gz QSWPUEULKUYPEX-QUCCMNQESA-N 2 0 345.531 3.113 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCCC1CCC1 ZINC001132518757 1375437119 /nfs/dbraw/zinc/43/71/19/1375437119.db2.gz NTMDIMLAZMCVLZ-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCCC1CCC1 ZINC001132525753 1375441920 /nfs/dbraw/zinc/44/19/20/1375441920.db2.gz VBBOMWBROLJFHI-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132526102 1375442509 /nfs/dbraw/zinc/44/25/09/1375442509.db2.gz YGPDSKQUAIZBBM-WWAPKCSDSA-N 2 0 335.536 3.188 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001227596645 1375450001 /nfs/dbraw/zinc/45/00/01/1375450001.db2.gz IYTBZGJPSVYRDU-UHFFFAOYSA-N 2 0 337.533 3.194 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001227619806 1375454386 /nfs/dbraw/zinc/45/43/86/1375454386.db2.gz WTSYPMDWWHMVHL-QFBILLFUSA-N 2 0 349.494 3.008 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001227619802 1375454675 /nfs/dbraw/zinc/45/46/75/1375454675.db2.gz WTSYPMDWWHMVHL-APWZRJJASA-N 2 0 349.494 3.008 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548807 1375455201 /nfs/dbraw/zinc/45/52/01/1375455201.db2.gz JGSPYFHJPXCQMS-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)C1CCCCC1 ZINC001227734917 1375467971 /nfs/dbraw/zinc/46/79/71/1375467971.db2.gz UPMUPQFSIDWLHS-RTBURBONSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)CCCC1 ZINC001227751216 1375471174 /nfs/dbraw/zinc/47/11/74/1375471174.db2.gz YDWJNUNRCRGFCM-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001228266588 1375537710 /nfs/dbraw/zinc/53/77/10/1375537710.db2.gz XZLVUVHTJQLMRV-PLNGDYQASA-N 2 0 340.471 3.275 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228646649 1375626197 /nfs/dbraw/zinc/62/61/97/1375626197.db2.gz JFSYCEFARILQSD-QZTJIDSGSA-N 2 0 339.568 3.418 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132893868 1375629981 /nfs/dbraw/zinc/62/99/81/1375629981.db2.gz SZGWCTXWLASWMW-AWTIPJNISA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132894112 1375630292 /nfs/dbraw/zinc/63/02/92/1375630292.db2.gz XGHCEKZSGAWJMR-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](CC3CCC(C)(C)CC3)CC2)CC1 ZINC001228888034 1375706035 /nfs/dbraw/zinc/70/60/35/1375706035.db2.gz AWCQZUJEELXLEK-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001228932747 1375719960 /nfs/dbraw/zinc/71/99/60/1375719960.db2.gz ULFZAWBLEXUGOY-IPMKNSEASA-N 2 0 337.552 3.458 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001327141409 1388398574 /nfs/dbraw/zinc/39/85/74/1388398574.db2.gz DMBSCDSLGHXVRQ-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CCC2CCCC2)CC1)[NH+](CC)CC ZINC001229171994 1375780059 /nfs/dbraw/zinc/78/00/59/1375780059.db2.gz SXUFTPYKLHZDDZ-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC001229230477 1375791300 /nfs/dbraw/zinc/79/13/00/1375791300.db2.gz IDGAJFIJWITMRQ-KZNAEPCWSA-N 2 0 325.541 3.027 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133162240 1375816253 /nfs/dbraw/zinc/81/62/53/1375816253.db2.gz JTBFYBYLHQPZFQ-YHTLKTDXSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165369 1375818887 /nfs/dbraw/zinc/81/88/87/1375818887.db2.gz FUJVELJHMPDKQG-XLIONFOSSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165575 1375819530 /nfs/dbraw/zinc/81/95/30/1375819530.db2.gz JOONXZLXDRUGNK-FXAWDEMLSA-N 2 0 345.531 3.092 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133195507 1375835189 /nfs/dbraw/zinc/83/51/89/1375835189.db2.gz RLEJYOXKQQTATM-DXPXIUTNSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001229544986 1375853282 /nfs/dbraw/zinc/85/32/82/1375853282.db2.gz OYOBPQRZMPZRIQ-UHDDOPSISA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H](c1cccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c1)[NH+](C)C ZINC001229627816 1375868901 /nfs/dbraw/zinc/86/89/01/1375868901.db2.gz RHWHDWHZODVPJN-WDSOQIARSA-N 2 0 332.488 3.331 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001229686763 1375875774 /nfs/dbraw/zinc/87/57/74/1375875774.db2.gz ZWUXTLYPDQBICU-GOSISDBHSA-N 2 0 345.531 3.287 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133263092 1375879429 /nfs/dbraw/zinc/87/94/29/1375879429.db2.gz PAPRASKPENWMRA-PWBPZBFBSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001229837707 1375900896 /nfs/dbraw/zinc/90/08/96/1375900896.db2.gz OGIYAKVRPZUIFZ-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229852716 1375904559 /nfs/dbraw/zinc/90/45/59/1375904559.db2.gz KHSOAQCNCJTYBH-JNVNVXKGSA-N 2 0 337.552 3.482 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001229984826 1375924976 /nfs/dbraw/zinc/92/49/76/1375924976.db2.gz BVPAQXDFJQWLDL-IBGZPJMESA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133338339 1375930865 /nfs/dbraw/zinc/93/08/65/1375930865.db2.gz UIPJEPZFLPCHJJ-PXNSSMCTSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001133338782 1375931246 /nfs/dbraw/zinc/93/12/46/1375931246.db2.gz YWLWEGKEJSEXGE-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001133361065 1375944874 /nfs/dbraw/zinc/94/48/74/1375944874.db2.gz SERHAGCPGVGAGL-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C(C)C)c1 ZINC001230280505 1375981623 /nfs/dbraw/zinc/98/16/23/1375981623.db2.gz ZOVPQBNNYFKJSU-WOJBJXKFSA-N 2 0 345.531 3.106 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1ccnc1 ZINC001230344086 1376004751 /nfs/dbraw/zinc/00/47/51/1376004751.db2.gz APVXIOIDVDOJQC-XOIGSVRCSA-N 2 0 346.519 3.427 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001230342839 1376005090 /nfs/dbraw/zinc/00/50/90/1376005090.db2.gz XZIKYVXPZNFKGU-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230354565 1376006870 /nfs/dbraw/zinc/00/68/70/1376006870.db2.gz FJHRGGNRGWGXMV-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378575 1376010734 /nfs/dbraw/zinc/01/07/34/1376010734.db2.gz PPMJRRVNGKMBSO-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230378688 1376011008 /nfs/dbraw/zinc/01/10/08/1376011008.db2.gz TUJOWQCUDXRXEY-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230431630 1376029309 /nfs/dbraw/zinc/02/93/09/1376029309.db2.gz RAMVHKCTALLEBX-ONEGZZNKSA-N 2 0 335.536 3.189 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CCCC2)CC1 ZINC001230598050 1376092370 /nfs/dbraw/zinc/09/23/70/1376092370.db2.gz CZRQXMUYNRWCDR-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](CC)CC ZINC001133684123 1376153682 /nfs/dbraw/zinc/15/36/82/1376153682.db2.gz DDFFQYZDOZFGPZ-YOEHRIQHSA-N 2 0 339.911 3.227 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccc(F)cc1 ZINC001133689927 1376157632 /nfs/dbraw/zinc/15/76/32/1376157632.db2.gz FILCGDVJQOMOBV-QZTJIDSGSA-N 2 0 337.483 3.103 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001133823583 1376219902 /nfs/dbraw/zinc/21/99/02/1376219902.db2.gz JUDHTYYUCXFNIK-WWDZGPRUSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001133856930 1376235358 /nfs/dbraw/zinc/23/53/58/1376235358.db2.gz WCVZCKCNCMGWGK-XLIONFOSSA-N 2 0 349.494 3.056 20 0 EGADRP CC(C)C[NH2+]CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001327195380 1388436470 /nfs/dbraw/zinc/43/64/70/1388436470.db2.gz CNGBCUVMEXJIAF-QGZVFWFLSA-N 2 0 331.504 3.012 20 0 EGADRP Fc1ccc(C[N@@H+]2CCCN(Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232015132 1376383961 /nfs/dbraw/zinc/38/39/61/1376383961.db2.gz BRJZACQCSJBCFV-UHFFFAOYSA-N 2 0 338.430 3.410 20 0 EGADRP COc1cc(O)cc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001232805112 1376518049 /nfs/dbraw/zinc/51/80/49/1376518049.db2.gz UQYFKBTTYXWPFA-SFHVURJKSA-N 2 0 340.467 3.355 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134524905 1376576146 /nfs/dbraw/zinc/57/61/46/1376576146.db2.gz SRNLXSINEAVDPU-CABCVRRESA-N 2 0 339.549 3.342 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001134584207 1376607916 /nfs/dbraw/zinc/60/79/16/1376607916.db2.gz RUWSMGVULUEWGF-SJORKVTESA-N 2 0 349.563 3.314 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134584146 1376608692 /nfs/dbraw/zinc/60/86/92/1376608692.db2.gz QWIZSPPWYJNELT-IRXDYDNUSA-N 2 0 345.531 3.106 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001134607738 1376622347 /nfs/dbraw/zinc/62/23/47/1376622347.db2.gz KUDHBXXHRVVLLO-RWTNSZMUSA-N 2 0 343.515 3.057 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608637 1376623463 /nfs/dbraw/zinc/62/34/63/1376623463.db2.gz YEHCMWRZHXEJPP-HZPDHXFCSA-N 2 0 349.494 3.013 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001134612171 1376624002 /nfs/dbraw/zinc/62/40/02/1376624002.db2.gz IUVZKEOBVBGJRW-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001189109995 1388459837 /nfs/dbraw/zinc/45/98/37/1388459837.db2.gz IJFYZFGHCJNIRD-SLFFLAALSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001134754595 1376700657 /nfs/dbraw/zinc/70/06/57/1376700657.db2.gz VTPPJQZZSOQFLX-IEBWSBKVSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)[NH+]1CCCCCC1 ZINC001134757922 1376703951 /nfs/dbraw/zinc/70/39/51/1376703951.db2.gz UFSWZHBTAYFUFE-HBAHQKBISA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001134765960 1376709262 /nfs/dbraw/zinc/70/92/62/1376709262.db2.gz AYWLMICJZYZDBZ-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001134774527 1376713574 /nfs/dbraw/zinc/71/35/74/1376713574.db2.gz ZAFYDDZULGEKLB-DHSZYQGYSA-N 2 0 345.531 3.303 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134781871 1376716493 /nfs/dbraw/zinc/71/64/93/1376716493.db2.gz BOGYIGKASNVGHK-IRXDYDNUSA-N 2 0 348.535 3.217 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21)[NH+](CC)CC ZINC001189111158 1388461056 /nfs/dbraw/zinc/46/10/56/1388461056.db2.gz WKZGBZNPEPAYHI-GBESFXJTSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC(C)(C)C ZINC001134858791 1376758412 /nfs/dbraw/zinc/75/84/12/1376758412.db2.gz YSUYZWOQSAFTEM-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](CCc1cccs1)CC2 ZINC001235016678 1376827865 /nfs/dbraw/zinc/82/78/65/1376827865.db2.gz ALVUIXAEGCCCOX-UHFFFAOYSA-N 2 0 342.508 3.436 20 0 EGADRP Clc1ccc(CCC[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235036302 1376835302 /nfs/dbraw/zinc/83/53/02/1376835302.db2.gz LKDKLWITQJFQDT-RHSMWYFYSA-N 2 0 343.298 3.236 20 0 EGADRP COC(=O)c1ccc(CN2CCCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235189945 1376856257 /nfs/dbraw/zinc/85/62/57/1376856257.db2.gz QSCXJAGZEYHVRI-UHFFFAOYSA-N 2 0 336.863 3.235 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135100075 1376898138 /nfs/dbraw/zinc/89/81/38/1376898138.db2.gz AWBKVCWFPMPCCA-MSOLQXFVSA-N 2 0 337.552 3.338 20 0 EGADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC001236074505 1376931506 /nfs/dbraw/zinc/93/15/06/1376931506.db2.gz ZEKIKERNJMLTCS-IBGZPJMESA-N 2 0 337.467 3.086 20 0 EGADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(F)c(-c4ccccc4)c3)C2)C1 ZINC001236076599 1376932536 /nfs/dbraw/zinc/93/25/36/1376932536.db2.gz CBYDSQQSLBYDPQ-IBGZPJMESA-N 2 0 339.458 3.100 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1F)[NH+](C)C ZINC001327263954 1388472636 /nfs/dbraw/zinc/47/26/36/1388472636.db2.gz IILUTAJTYCPPFS-QAPCUYQASA-N 2 0 337.483 3.007 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298105 1377025928 /nfs/dbraw/zinc/02/59/28/1377025928.db2.gz KMILGVWIJXJKQA-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001135298062 1377026274 /nfs/dbraw/zinc/02/62/74/1377026274.db2.gz KGBAKFYSWJEJKC-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297743 1377026615 /nfs/dbraw/zinc/02/66/15/1377026615.db2.gz GVYQDLUNBYBTHN-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP CCc1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314566 1377033904 /nfs/dbraw/zinc/03/39/04/1377033904.db2.gz CTGWXFUVGJYDPD-ZWKOTPCHSA-N 2 0 347.547 3.006 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001135317052 1377034721 /nfs/dbraw/zinc/03/47/21/1377034721.db2.gz WMRBONARNJADMQ-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP Clc1ccc(CC[NH2+]C2CCC3(CC2)C[NH2+]CCO3)c(Cl)c1 ZINC001246161248 1377050397 /nfs/dbraw/zinc/05/03/97/1377050397.db2.gz YVTNPUPYLMRJNO-UHFFFAOYSA-N 2 0 343.298 3.427 20 0 EGADRP COC(=O)CC1(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCCCC1 ZINC001246293565 1377050774 /nfs/dbraw/zinc/05/07/74/1377050774.db2.gz SRAPXCADRBZVCX-UHFFFAOYSA-N 2 0 336.520 3.402 20 0 EGADRP CCOC(=O)C[C@@H]([NH2+]C1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC001246292770 1377051143 /nfs/dbraw/zinc/05/11/43/1377051143.db2.gz QJKOEPGIHNCTLI-QPIRBTGLSA-N 2 0 330.472 3.193 20 0 EGADRP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246297210 1377051210 /nfs/dbraw/zinc/05/12/10/1377051210.db2.gz VHLZXQTUXRTJGR-MSOLQXFVSA-N 2 0 337.552 3.075 20 0 EGADRP CCSC[C@@H](C)[NH2+]CC1(Cc2cccc(OC)c2)CC[NH2+]CC1 ZINC001246382556 1377051592 /nfs/dbraw/zinc/05/15/92/1377051592.db2.gz BWZDCJQATZHJFV-MRXNPFEDSA-N 2 0 336.545 3.339 20 0 EGADRP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC001246714773 1377053482 /nfs/dbraw/zinc/05/34/82/1377053482.db2.gz NFTGDGNJOFWJSP-JKMPKNINSA-N 2 0 326.484 3.308 20 0 EGADRP CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)CC[C@@H]21 ZINC001246761301 1377053964 /nfs/dbraw/zinc/05/39/64/1377053964.db2.gz AHQMZEYXSPNDTB-REHHDOPLSA-N 2 0 327.516 3.461 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CC[NH+](C)C ZINC001135371925 1377059606 /nfs/dbraw/zinc/05/96/06/1377059606.db2.gz KNQFCTQZJROTOE-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccc(F)cc1-c1noc([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247907818 1377065315 /nfs/dbraw/zinc/06/53/15/1377065315.db2.gz WHGQYYRYYYCWHU-CQSZACIVSA-N 2 0 344.434 3.116 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+][C@H](CC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001254509470 1377104958 /nfs/dbraw/zinc/10/49/58/1377104958.db2.gz OHPNOWZQIVEODE-OALUTQOASA-N 2 0 346.515 3.403 20 0 EGADRP CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254529240 1377107217 /nfs/dbraw/zinc/10/72/17/1377107217.db2.gz FKVGWRMHKJJEDM-DLBZAZTESA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C)C(C)C ZINC001135474024 1377110121 /nfs/dbraw/zinc/11/01/21/1377110121.db2.gz DPODWAYARTWCGF-ICSRJNTNSA-N 2 0 347.547 3.437 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477248 1377111670 /nfs/dbraw/zinc/11/16/70/1377111670.db2.gz UANKSIGBSOOEJW-HOTGVXAUSA-N 2 0 327.557 3.273 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001265630944 1377156552 /nfs/dbraw/zinc/15/65/52/1377156552.db2.gz SUGMKMXXNUIEIE-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001135610607 1377161334 /nfs/dbraw/zinc/16/13/34/1377161334.db2.gz YIYHRQNLLFNYGU-ZWKOTPCHSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676502 1377181055 /nfs/dbraw/zinc/18/10/55/1377181055.db2.gz XJWXYJJGJJWZNJ-HZPDHXFCSA-N 2 0 331.504 3.035 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135691631 1377185511 /nfs/dbraw/zinc/18/55/11/1377185511.db2.gz XTTVNSUISVTQTK-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135746659 1377200691 /nfs/dbraw/zinc/20/06/91/1377200691.db2.gz JBZPMNHRXHTULP-YLLXALGISA-N 2 0 345.531 3.305 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767541 1377205881 /nfs/dbraw/zinc/20/58/81/1377205881.db2.gz FLMULRVYSBCGPH-MOPGFXCFSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767514 1377206332 /nfs/dbraw/zinc/20/63/32/1377206332.db2.gz FEXNFFWTWGGLHO-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788385 1377210944 /nfs/dbraw/zinc/21/09/44/1377210944.db2.gz DPHFMEFZJCLWIS-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827064 1377223916 /nfs/dbraw/zinc/22/39/16/1377223916.db2.gz PNIMBXOZMFKMGF-IAGOWNOFSA-N 2 0 339.568 3.416 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135857711 1377236853 /nfs/dbraw/zinc/23/68/53/1377236853.db2.gz MWOVWXHYDOJFPD-CHWSQXEVSA-N 2 0 345.940 3.116 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135974394 1377283026 /nfs/dbraw/zinc/28/30/26/1377283026.db2.gz OGOATVBWGASBKH-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135974476 1377283926 /nfs/dbraw/zinc/28/39/26/1377283926.db2.gz PUMLREWVBKHZFW-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135980330 1377285956 /nfs/dbraw/zinc/28/59/56/1377285956.db2.gz NVKPUFLAWMWRSV-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001266351887 1377289995 /nfs/dbraw/zinc/28/99/95/1377289995.db2.gz DVOGSTRTZUHCPH-KRWDZBQOSA-N 2 0 347.547 3.435 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001135995410 1377291755 /nfs/dbraw/zinc/29/17/55/1377291755.db2.gz FAPNTANWPVOKMH-MOPGFXCFSA-N 2 0 347.547 3.224 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001135995622 1377292040 /nfs/dbraw/zinc/29/20/40/1377292040.db2.gz IRSZKGKHTRKKOG-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995549 1377292291 /nfs/dbraw/zinc/29/22/91/1377292291.db2.gz HRTAJGNQQMZXNV-ZWHYWQQASA-N 2 0 325.541 3.338 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001266639977 1377356592 /nfs/dbraw/zinc/35/65/92/1377356592.db2.gz KYZQBTOCLAWALS-WGSAOQKQSA-N 2 0 335.536 3.070 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327308808 1388493992 /nfs/dbraw/zinc/49/39/92/1388493992.db2.gz QRGOERCGVVEHAY-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC(C)(C)C)CC1 ZINC001266853909 1377395595 /nfs/dbraw/zinc/39/55/95/1377395595.db2.gz WGSHVMRSTKEPMJ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2CCC([NH2+]CC3CCC3)CC2)CCCCC1 ZINC001266913165 1377401791 /nfs/dbraw/zinc/40/17/91/1377401791.db2.gz KMSFZHMNMIPCCX-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001267090235 1377411692 /nfs/dbraw/zinc/41/16/92/1377411692.db2.gz HZCSTEZSCFPDKV-PMACEKPBSA-N 2 0 345.531 3.244 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001267095480 1377412110 /nfs/dbraw/zinc/41/21/10/1377412110.db2.gz ZDKOYWDDALVVHN-VQTJNVASSA-N 2 0 343.515 3.080 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001267482269 1377446561 /nfs/dbraw/zinc/44/65/61/1377446561.db2.gz QGECOYKXDMOMHH-MSOLQXFVSA-N 2 0 339.568 3.466 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001268100683 1377486481 /nfs/dbraw/zinc/48/64/81/1377486481.db2.gz ZIBCHZQPMZVURJ-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP c1[nH]c2ncccc2c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001137403687 1377541331 /nfs/dbraw/zinc/54/13/31/1377541331.db2.gz YAOLLKGPIKLSKD-RTBURBONSA-N 2 0 332.451 3.127 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3cc4ccccc4s3)CC2)CC1 ZINC001137686139 1377593059 /nfs/dbraw/zinc/59/30/59/1377593059.db2.gz BUTVTARWPLQQEJ-UHFFFAOYSA-N 2 0 343.540 3.361 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(-c3cncnc3)c1)CC2 ZINC001137771450 1377614590 /nfs/dbraw/zinc/61/45/90/1377614590.db2.gz FQTBLDJAQNLRKL-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)Cc1ncc[nH]1)c1ccccc1 ZINC001271591307 1377642566 /nfs/dbraw/zinc/64/25/66/1377642566.db2.gz JKQQMYQAAWRMLA-FUHWJXTLSA-N 2 0 340.471 3.074 20 0 EGADRP CC(=O)Oc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001138044056 1377670281 /nfs/dbraw/zinc/67/02/81/1377670281.db2.gz NNSQYKAZGTWWOW-RBUKOAKNSA-N 2 0 330.472 3.451 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC001138772039 1377782417 /nfs/dbraw/zinc/78/24/17/1377782417.db2.gz DNKPKABXQPRMMM-LJQANCHMSA-N 2 0 325.456 3.012 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cccs2)s1 ZINC001139022428 1377818984 /nfs/dbraw/zinc/81/89/84/1377818984.db2.gz HIIZRNRWLBSMLJ-UHFFFAOYSA-N 2 0 335.542 3.156 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc3c2ccn3C)CC1 ZINC001139159964 1377841820 /nfs/dbraw/zinc/84/18/20/1377841820.db2.gz SQTVVUXRTICPCY-UHFFFAOYSA-N 2 0 342.531 3.028 20 0 EGADRP CC[NH+]1CCC(N(C)Cc2ccc(OC)c(OCC3CC3)c2)CC1 ZINC001140490079 1378071070 /nfs/dbraw/zinc/07/10/70/1378071070.db2.gz HVJQNRAUYWKEBE-UHFFFAOYSA-N 2 0 332.488 3.400 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OCC1CC1 ZINC001140490609 1378072114 /nfs/dbraw/zinc/07/21/14/1378072114.db2.gz WLQKGUZGWXTOOK-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP COc1ccc(-c2cccc(C[NH+]3CCC4(C[NH+](C)C4)CC3)n2)cc1 ZINC001140959926 1378194408 /nfs/dbraw/zinc/19/44/08/1378194408.db2.gz MZGONULFKFJYND-UHFFFAOYSA-N 2 0 337.467 3.285 20 0 EGADRP Cc1ccc2c(c1)CC[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)C2 ZINC001140976633 1378197070 /nfs/dbraw/zinc/19/70/70/1378197070.db2.gz UQQQUGPWRSWPLP-UHFFFAOYSA-N 2 0 335.495 3.305 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)NC(C)(C)C)C2)CC1 ZINC001278021929 1378255258 /nfs/dbraw/zinc/25/52/58/1378255258.db2.gz OBSNMJCHKSVSPH-DYESRHJHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CNC(=O)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC001327517144 1388545927 /nfs/dbraw/zinc/54/59/27/1388545927.db2.gz DVHZIPCTVNBURC-QUCCMNQESA-N 2 0 345.531 3.039 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001144205401 1378699036 /nfs/dbraw/zinc/69/90/36/1378699036.db2.gz SQOMSNDCQQTTOZ-SFHVURJKSA-N 2 0 335.536 3.116 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1Br ZINC001144230216 1378702178 /nfs/dbraw/zinc/70/21/78/1378702178.db2.gz IUMIJEPBBZIZFI-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP Oc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)nc1 ZINC001144259503 1378706447 /nfs/dbraw/zinc/70/64/47/1378706447.db2.gz RBSKKNAWHSAETC-UHFFFAOYSA-N 2 0 343.496 3.337 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3c[nH]c4nc(Cl)ccc34)CC2)cc[nH+]1 ZINC001144418919 1378729024 /nfs/dbraw/zinc/72/90/24/1378729024.db2.gz VTVWAYRKSXMXAR-UHFFFAOYSA-N 2 0 341.846 3.242 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001146339099 1378821063 /nfs/dbraw/zinc/82/10/63/1378821063.db2.gz JLWVBXHXEANFII-OALUTQOASA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398426 1378834272 /nfs/dbraw/zinc/83/42/72/1378834272.db2.gz NZRFQYOXWVCODH-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001146581520 1378871374 /nfs/dbraw/zinc/87/13/74/1378871374.db2.gz CMMKKQRWBCVFSB-HZPDHXFCSA-N 2 0 331.504 3.035 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)c1 ZINC001146591030 1378873552 /nfs/dbraw/zinc/87/35/52/1378873552.db2.gz FOPSWNWNQCOLHA-OALUTQOASA-N 2 0 347.547 3.325 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)CCCC[NH+]1CCCC1 ZINC001146699816 1378899361 /nfs/dbraw/zinc/89/93/61/1378899361.db2.gz CZWVCUIGDAPLBM-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001146700325 1378900696 /nfs/dbraw/zinc/90/06/96/1378900696.db2.gz FYEYBXVSKGCLNF-MOPGFXCFSA-N 2 0 345.531 3.326 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1cccc(CC)c1 ZINC001147449250 1379023608 /nfs/dbraw/zinc/02/36/08/1379023608.db2.gz LHTREDGMGOTIAO-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541336 1379039970 /nfs/dbraw/zinc/03/99/70/1379039970.db2.gz MLZREPQVURUSPN-RTBURBONSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147835509 1379088298 /nfs/dbraw/zinc/08/82/98/1379088298.db2.gz TUKCYQLCACPWPW-IEBWSBKVSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2)[NH+](CC)CC ZINC001148286144 1379146198 /nfs/dbraw/zinc/14/61/98/1379146198.db2.gz UBYPELXEVSTWFU-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385779 1379161453 /nfs/dbraw/zinc/16/14/53/1379161453.db2.gz QWKOLYLYOLCNAK-VOFKWLDRSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001148573526 1379215227 /nfs/dbraw/zinc/21/52/27/1379215227.db2.gz SUGQKUIHDXAQFW-KRWDZBQOSA-N 2 0 333.520 3.309 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)C2 ZINC001148657181 1379235706 /nfs/dbraw/zinc/23/57/06/1379235706.db2.gz PAJVJWFIXNDLRR-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148842840 1379282256 /nfs/dbraw/zinc/28/22/56/1379282256.db2.gz CZXAYBKWTXOGNP-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C[C@@H]1C ZINC001284018597 1379367420 /nfs/dbraw/zinc/36/74/20/1379367420.db2.gz UKAFECGVTABVHC-HKUYNNGSSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001327904311 1388620563 /nfs/dbraw/zinc/62/05/63/1388620563.db2.gz RCKKKOGNXQKEDP-PXNSSMCTSA-N 2 0 345.531 3.088 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001151361298 1379705321 /nfs/dbraw/zinc/70/53/21/1379705321.db2.gz DMPLNASCLLOOAE-IBGZPJMESA-N 2 0 331.504 3.110 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001152464551 1379938895 /nfs/dbraw/zinc/93/88/95/1379938895.db2.gz WNOQBLUKMPILQX-MOPGFXCFSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153315074 1380055157 /nfs/dbraw/zinc/05/51/57/1380055157.db2.gz WRJHSTSCYGDZQF-GOSISDBHSA-N 2 0 331.504 3.028 20 0 EGADRP CC[N@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850883 1380143862 /nfs/dbraw/zinc/14/38/62/1380143862.db2.gz MCLBUQDQLPVNNR-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC001153854778 1380144415 /nfs/dbraw/zinc/14/44/15/1380144415.db2.gz WGVUDDJXWMUFSK-QGZVFWFLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\c1ccccc1)[NH+](C)C ZINC001154000880 1380174866 /nfs/dbraw/zinc/17/48/66/1380174866.db2.gz LPPGJVVTKQCDEE-LGDHNJMOSA-N 2 0 345.531 3.257 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C1CC1)[NH+](C)C ZINC001154000479 1380175091 /nfs/dbraw/zinc/17/50/91/1380175091.db2.gz DMDYSERXQOAZTE-OXQOHEQNSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844303 1380362721 /nfs/dbraw/zinc/36/27/21/1380362721.db2.gz AMZNVVZBINLPFP-OKYOBFRVSA-N 2 0 339.568 3.226 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844650 1380364084 /nfs/dbraw/zinc/36/40/84/1380364084.db2.gz SAJOFKHAPQEWQI-NSHGMRRFSA-N 2 0 349.563 3.434 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001154987466 1380385799 /nfs/dbraw/zinc/38/57/99/1380385799.db2.gz XNJDLPPOECRRBI-RBUKOAKNSA-N 2 0 336.483 3.322 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001155520770 1380463694 /nfs/dbraw/zinc/46/36/94/1380463694.db2.gz CBTBVAVBPHTEHN-IAGOWNOFSA-N 2 0 334.508 3.241 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C)C(C)C ZINC001155883710 1380502511 /nfs/dbraw/zinc/50/25/11/1380502511.db2.gz BZFGQPWEQJWWSP-MSOLQXFVSA-N 2 0 327.557 3.226 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475719 1380581249 /nfs/dbraw/zinc/58/12/49/1380581249.db2.gz ROJNXFQAYHWHJW-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCCc1ccccc1 ZINC001156517194 1380587416 /nfs/dbraw/zinc/58/74/16/1380587416.db2.gz RJGWKHRNLVRGDY-LJQANCHMSA-N 2 0 347.547 3.178 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CCCCCC1 ZINC001156530272 1380588559 /nfs/dbraw/zinc/58/85/59/1380588559.db2.gz LRUGJQUICTXPOP-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCC[NH+](CCCC)CCNc1cccc(N2CC[NH+](C)CC2)n1 ZINC001156904893 1380722565 /nfs/dbraw/zinc/72/25/65/1380722565.db2.gz ITXJOCQEMVWSOM-UHFFFAOYSA-N 2 0 347.551 3.148 20 0 EGADRP CCCC[NH+](CCCC)CCNc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001156904872 1380722900 /nfs/dbraw/zinc/72/29/00/1380722900.db2.gz HSAGJUZPGJSZCB-UHFFFAOYSA-N 2 0 339.915 3.090 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001156926319 1380730711 /nfs/dbraw/zinc/73/07/11/1380730711.db2.gz XMEHRGWIPLQTLX-QGZVFWFLSA-N 2 0 346.519 3.136 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092088 1380774334 /nfs/dbraw/zinc/77/43/34/1380774334.db2.gz KARKSUGRTFNLJW-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157108686 1380777805 /nfs/dbraw/zinc/77/78/05/1380777805.db2.gz ANXMKJCQUCHARM-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256734 1380824822 /nfs/dbraw/zinc/82/48/22/1380824822.db2.gz VYTMYZUWFQNSET-ZWKOTPCHSA-N 2 0 325.541 3.125 20 0 EGADRP CCN(Cc1cccc(F)c1F)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001157366336 1380854267 /nfs/dbraw/zinc/85/42/67/1380854267.db2.gz MFWSPIUAFOTORS-UHFFFAOYSA-N 2 0 346.425 3.314 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(c3[nH+]ccc4cc(OC)c(OC)cc43)C[C@H]2C1 ZINC001157693366 1381004421 /nfs/dbraw/zinc/00/44/21/1381004421.db2.gz YHKQXEUYCSMWGL-IYBDPMFKSA-N 2 0 341.455 3.030 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157973637 1381090287 /nfs/dbraw/zinc/09/02/87/1381090287.db2.gz LWWCPOVOLWPFEN-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001158079837 1381122364 /nfs/dbraw/zinc/12/23/64/1381122364.db2.gz UFWVYGYAEQZVKZ-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001158277509 1381182449 /nfs/dbraw/zinc/18/24/49/1381182449.db2.gz VEVURTWIGAQRCT-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419103 1381239728 /nfs/dbraw/zinc/23/97/28/1381239728.db2.gz KMIMMVLJLGYQLC-QULHZPMSSA-N 2 0 349.563 3.388 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158473360 1381256597 /nfs/dbraw/zinc/25/65/97/1381256597.db2.gz JWMHIAPDYBTYIT-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473909 1381257192 /nfs/dbraw/zinc/25/71/92/1381257192.db2.gz QDZRCVPOVPRATK-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC=C(C)C)[NH+](CC)CC ZINC001158490998 1381266267 /nfs/dbraw/zinc/26/62/67/1381266267.db2.gz CHODOKXZNLQYAY-MOPGFXCFSA-N 2 0 337.552 3.386 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751114 1381382926 /nfs/dbraw/zinc/38/29/26/1381382926.db2.gz UCHHORALDNAICE-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC(CC)CC ZINC001158781856 1381397685 /nfs/dbraw/zinc/39/76/85/1381397685.db2.gz UKSYZJRTFOCIQW-LJQANCHMSA-N 2 0 339.568 3.467 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001158786680 1381398551 /nfs/dbraw/zinc/39/85/51/1381398551.db2.gz FAMBUNKCKDPTDU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP c1ccc2c(c1)C[NH2+]C21CCN(c2ncccc2C[NH+]2CCCC2)CC1 ZINC001159030633 1381522106 /nfs/dbraw/zinc/52/21/06/1381522106.db2.gz RUNMMKXCKDZFTB-UHFFFAOYSA-N 2 0 348.494 3.276 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)CCOc1ccccc1C ZINC001328356287 1388729257 /nfs/dbraw/zinc/72/92/57/1388729257.db2.gz SDQDMXQWCCEGHY-UHFFFAOYSA-N 2 0 336.395 3.292 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC001159787086 1381899451 /nfs/dbraw/zinc/89/94/51/1381899451.db2.gz RATMEJMCCISOGZ-INIZCTEOSA-N 2 0 341.846 3.386 20 0 EGADRP c1ccc(N2CC[NH2+]CC2)c(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001159812607 1381908630 /nfs/dbraw/zinc/90/86/30/1381908630.db2.gz AQPMDQPVLNRBDK-UHFFFAOYSA-N 2 0 336.483 3.436 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(C[NH3+])ncn3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001159887773 1381929020 /nfs/dbraw/zinc/92/90/20/1381929020.db2.gz VBLHDBHEKLDYKD-AUTURXRWSA-N 2 0 345.535 3.306 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159900864 1381932865 /nfs/dbraw/zinc/93/28/65/1381932865.db2.gz BCMYHGSPZZQBCE-IBGZPJMESA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001159910326 1381934092 /nfs/dbraw/zinc/93/40/92/1381934092.db2.gz QLUSSSDKDIVCDQ-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159908251 1381934440 /nfs/dbraw/zinc/93/44/40/1381934440.db2.gz HSTWBEAKAOIPEU-HMECNJMJSA-N 2 0 335.536 3.236 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001159911045 1381934512 /nfs/dbraw/zinc/93/45/12/1381934512.db2.gz WUYZLFZTSPKUPK-HXUWFJFHSA-N 2 0 345.531 3.162 20 0 EGADRP O=C(NCCC[NH2+]CCC1=CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159911495 1381935077 /nfs/dbraw/zinc/93/50/77/1381935077.db2.gz ZAXJGERQSBAHDR-HXUWFJFHSA-N 2 0 347.547 3.380 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2cc(F)ccc2N2CC[C@@H]([NH3+])C2)cc1 ZINC001160057633 1381985197 /nfs/dbraw/zinc/98/51/97/1381985197.db2.gz VGUXFDDEFRULFW-OAHLLOKOSA-N 2 0 328.435 3.301 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119627 1382003059 /nfs/dbraw/zinc/00/30/59/1382003059.db2.gz DIMIXOXKZFENEB-HXUWFJFHSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160126040 1382006188 /nfs/dbraw/zinc/00/61/88/1382006188.db2.gz RVTJWVTXWJODAJ-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155282 1382017974 /nfs/dbraw/zinc/01/79/74/1382017974.db2.gz BCYCOGSUYVBWDS-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169408 1382023683 /nfs/dbraw/zinc/02/36/83/1382023683.db2.gz QQLXGRZYSYXCSD-RLWBPELLSA-N 2 0 347.547 3.211 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406288 1382095183 /nfs/dbraw/zinc/09/51/83/1382095183.db2.gz MWQSMEOOPWGSAD-IBDYFIJFSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001160406592 1382096482 /nfs/dbraw/zinc/09/64/82/1382096482.db2.gz QVXUFVVEEIWAQD-SFHVURJKSA-N 2 0 337.552 3.147 20 0 EGADRP Cc1ccc2c(c1)cc(Cl)nc2N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160514881 1382127340 /nfs/dbraw/zinc/12/73/40/1382127340.db2.gz ZLLUNUJXAJJBAI-GOSISDBHSA-N 2 0 330.863 3.032 20 0 EGADRP [NH3+]C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)CC1 ZINC001160513944 1382127659 /nfs/dbraw/zinc/12/76/59/1382127659.db2.gz LWPBCTGARUDPMF-GOSISDBHSA-N 2 0 349.906 3.207 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567846 1382144162 /nfs/dbraw/zinc/14/41/62/1382144162.db2.gz NEFGBEUYFPXMMA-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160869766 1382219908 /nfs/dbraw/zinc/21/99/08/1382219908.db2.gz SMFHNQWYHXTIBO-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP [NH3+]CCc1cn(C(F)(F)c2ccnc(Cl)c2F)c2cc[nH+]cc12 ZINC001160944367 1382245967 /nfs/dbraw/zinc/24/59/67/1382245967.db2.gz GUGFIBDUCRVOKF-UHFFFAOYSA-N 2 0 340.736 3.323 20 0 EGADRP Cc1cnc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc1-c1ccccc1F ZINC001160951223 1382249149 /nfs/dbraw/zinc/24/91/49/1382249149.db2.gz AICZZEHVFDBGHK-UHFFFAOYSA-N 2 0 347.397 3.431 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC2)CC1 ZINC001161048337 1382282639 /nfs/dbraw/zinc/28/26/39/1382282639.db2.gz WANFVIJOHJXMEI-GOSISDBHSA-N 2 0 337.552 3.111 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001161103995 1382298148 /nfs/dbraw/zinc/29/81/48/1382298148.db2.gz MJEKYMUKINVDAC-OALUTQOASA-N 2 0 331.504 3.074 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106935 1382298580 /nfs/dbraw/zinc/29/85/80/1382298580.db2.gz RAMDBOXEUFTJCM-FQEVSTJZSA-N 2 0 343.515 3.228 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161207263 1382341847 /nfs/dbraw/zinc/34/18/47/1382341847.db2.gz RORAVXUNAAPHSK-SFHVURJKSA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001161226621 1382349206 /nfs/dbraw/zinc/34/92/06/1382349206.db2.gz LNIYXIBEJFKCQO-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001161239557 1382351194 /nfs/dbraw/zinc/35/11/94/1382351194.db2.gz JLFSRNFOTHMYIJ-HKUYNNGSSA-N 2 0 337.552 3.147 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N1CCC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC001161489901 1382421095 /nfs/dbraw/zinc/42/10/95/1382421095.db2.gz RIZQQEDOKXVIAF-CTNGQTDRSA-N 2 0 345.531 3.437 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001294428699 1382456587 /nfs/dbraw/zinc/45/65/87/1382456587.db2.gz TXYQARSMYJQCCJ-QUCCMNQESA-N 2 0 345.531 3.134 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001161643911 1382468682 /nfs/dbraw/zinc/46/86/82/1382468682.db2.gz DPCANDXNKRMDHY-UXHICEINSA-N 2 0 345.531 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001161755004 1382495582 /nfs/dbraw/zinc/49/55/82/1382495582.db2.gz GRLDIQKKXYNYBM-SFHVURJKSA-N 2 0 337.552 3.149 20 0 EGADRP COc1cc[nH+]c(NCCCP(CCC[NH3+])c2ccccc2)c1 ZINC001162463881 1382763836 /nfs/dbraw/zinc/76/38/36/1382763836.db2.gz BBJKSMODKKEEFA-UHFFFAOYSA-N 2 0 331.400 3.048 20 0 EGADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2c[nH+]c(C)cc2c1 ZINC001162739014 1382853739 /nfs/dbraw/zinc/85/37/39/1382853739.db2.gz LLVKKGSTVJWCMH-SFHVURJKSA-N 2 0 329.444 3.086 20 0 EGADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N[C@H]3C=C[C@H]4C[NH2+]C[C@@H]43)c12 ZINC001162796615 1382875395 /nfs/dbraw/zinc/87/53/95/1382875395.db2.gz FXIIKAIOFVLZID-WDSOQIARSA-N 2 0 330.435 3.271 20 0 EGADRP CC[C@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162934729 1382920406 /nfs/dbraw/zinc/92/04/06/1382920406.db2.gz JFMPQKGZERVTLF-ICSRJNTNSA-N 2 0 347.547 3.034 20 0 EGADRP Cc1ccc2c(c1)[C@H](Nc1cc(N)c(F)c[nH+]1)CC21CC[NH2+]CC1 ZINC001163030935 1382951940 /nfs/dbraw/zinc/95/19/40/1382951940.db2.gz NTGJQMLXDUGSIR-QGZVFWFLSA-N 2 0 326.419 3.289 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCC2=CCCCC2)CCCCC1 ZINC001163241481 1383003196 /nfs/dbraw/zinc/00/31/96/1383003196.db2.gz ABEIAAXYOHCHKL-UHFFFAOYSA-N 2 0 349.563 3.485 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC001163291127 1383013974 /nfs/dbraw/zinc/01/39/74/1383013974.db2.gz ZNVQZCCQJDXHCV-IBGZPJMESA-N 2 0 343.515 3.034 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001163291044 1383014048 /nfs/dbraw/zinc/01/40/48/1383014048.db2.gz YMEIFAHEJNBBII-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](Nc2cccc(OCC[NH+]3CCCC3)n2)[C@@H](C)C1 ZINC001163366276 1383032800 /nfs/dbraw/zinc/03/28/00/1383032800.db2.gz TZOUTVHRIQRZGO-ROUUACIJSA-N 2 0 346.519 3.087 20 0 EGADRP C[N@@H+]1CCN(c2ncccc2C[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC001163674164 1383103114 /nfs/dbraw/zinc/10/31/14/1383103114.db2.gz IHRPECANPMORJB-FQEVSTJZSA-N 2 0 336.483 3.171 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001163821279 1383125572 /nfs/dbraw/zinc/12/55/72/1383125572.db2.gz MPFDZTFJRNATNZ-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163821629 1383125847 /nfs/dbraw/zinc/12/58/47/1383125847.db2.gz NNIJBXBDALQTDS-MJGOQNOKSA-N 2 0 343.515 3.026 20 0 EGADRP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cccc(N2CC[NH2+]CC2)c1 ZINC001163902410 1383134553 /nfs/dbraw/zinc/13/45/53/1383134553.db2.gz OZFZWNJXFQHETD-UHFFFAOYSA-N 2 0 340.858 3.152 20 0 EGADRP CC(C)c1cc(NCc2cccc(C[NH+](C)C)c2)nc(N(C)C)[nH+]1 ZINC001163992792 1383143961 /nfs/dbraw/zinc/14/39/61/1383143961.db2.gz DAXRRORINAMDKU-UHFFFAOYSA-N 2 0 327.476 3.340 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCC(C)CC2)C1 ZINC001164449688 1383187780 /nfs/dbraw/zinc/18/77/80/1383187780.db2.gz QARHLCHUJVZLIC-CTWPCTMYSA-N 2 0 337.552 3.031 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531313 1383196646 /nfs/dbraw/zinc/19/66/46/1383196646.db2.gz CVQWYVZYDHQIFX-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001164582721 1383202239 /nfs/dbraw/zinc/20/22/39/1383202239.db2.gz NYNSXHXLXMISRV-JWHDQAAXSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4ccsc4C3)c2)CC1 ZINC001165063919 1383219793 /nfs/dbraw/zinc/21/97/93/1383219793.db2.gz YQMNMYZTKHUIGP-UHFFFAOYSA-N 2 0 329.469 3.179 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc1 ZINC001165152688 1383238110 /nfs/dbraw/zinc/23/81/10/1383238110.db2.gz VLPNCMCCJQHJMK-OTWHNJEPSA-N 2 0 328.504 3.016 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(C[NH+](C)C)ccn1 ZINC001165202975 1383249113 /nfs/dbraw/zinc/24/91/13/1383249113.db2.gz QSYSKOPPHRTTSH-ROUUACIJSA-N 2 0 338.499 3.242 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2ccc(N3CC[C@H]([NH3+])C3)nc2)cc1 ZINC001165213120 1383249764 /nfs/dbraw/zinc/24/97/64/1383249764.db2.gz KAKRLYFXFCEPSB-KRWDZBQOSA-N 2 0 339.487 3.204 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)c2occc2C[NH+](C)C)c1 ZINC001165246120 1383256976 /nfs/dbraw/zinc/25/69/76/1383256976.db2.gz LHMKKYFAVLDFKB-INIZCTEOSA-N 2 0 343.471 3.120 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165501120 1383303786 /nfs/dbraw/zinc/30/37/86/1383303786.db2.gz AUHRLVXWXPEHPP-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165568523 1383311453 /nfs/dbraw/zinc/31/14/53/1383311453.db2.gz JRGWHRCBTWSLGC-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)Oc1cc[nH+]c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001165669618 1383322618 /nfs/dbraw/zinc/32/26/18/1383322618.db2.gz MIYNIRFOWVSKSI-MRXNPFEDSA-N 2 0 347.503 3.385 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001165727648 1383334275 /nfs/dbraw/zinc/33/42/75/1383334275.db2.gz FOSLZFKUHXQJFG-PKOBYXMFSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CCCC1)[NH+](C)C ZINC001328763463 1388848256 /nfs/dbraw/zinc/84/82/56/1388848256.db2.gz DWMDOUBQFFFTIS-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001166010200 1383376714 /nfs/dbraw/zinc/37/67/14/1383376714.db2.gz KJZIGVQLFNVWPV-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F)[NH+](CC)CC ZINC001166455813 1383423958 /nfs/dbraw/zinc/42/39/58/1383423958.db2.gz ZWJDUVSHZUJTMW-MAUKXSAKSA-N 2 0 337.483 3.103 20 0 EGADRP CC(C)[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166802856 1383479967 /nfs/dbraw/zinc/47/99/67/1383479967.db2.gz MQPPASQMLCNYPS-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166864100 1383489478 /nfs/dbraw/zinc/48/94/78/1383489478.db2.gz YYJHIGLQXYPEGQ-AATRIKPKSA-N 2 0 347.503 3.187 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001166896343 1383495881 /nfs/dbraw/zinc/49/58/81/1383495881.db2.gz IFXITAIWCZJSIX-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)c1ccc(C[NH2+]CC2(CCNC(=O)CC[NH+](C)C)CC2)cc1 ZINC001166971139 1383506813 /nfs/dbraw/zinc/50/68/13/1383506813.db2.gz IWCVBGBBNVSKLK-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167180155 1383560582 /nfs/dbraw/zinc/56/05/82/1383560582.db2.gz VWXLKVONAHXSDS-QZEKMECESA-N 2 0 337.552 3.339 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001167232463 1383571072 /nfs/dbraw/zinc/57/10/72/1383571072.db2.gz DDNVQYLSWBOIEE-JLAWEPINSA-N 2 0 349.563 3.031 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001167232871 1383571813 /nfs/dbraw/zinc/57/18/13/1383571813.db2.gz SLKOSVZNIHWCIR-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001167251283 1383575275 /nfs/dbraw/zinc/57/52/75/1383575275.db2.gz PJJZTEQMXOZUBX-YJBOKZPZSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001167261167 1383577878 /nfs/dbraw/zinc/57/78/78/1383577878.db2.gz YDGTYZHSHHGLEV-HKUYNNGSSA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001167260702 1383578259 /nfs/dbraw/zinc/57/82/59/1383578259.db2.gz FOSLZFKUHXQJFG-MJGOQNOKSA-N 2 0 345.531 3.272 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001167308220 1383591452 /nfs/dbraw/zinc/59/14/52/1383591452.db2.gz JWKXSIINHXPRRA-HNNXBMFYSA-N 2 0 335.455 3.254 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC2(C[NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC001167391573 1383621377 /nfs/dbraw/zinc/62/13/77/1383621377.db2.gz LCBLTQRHMPMRHP-UHFFFAOYSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460518 1383639035 /nfs/dbraw/zinc/63/90/35/1383639035.db2.gz FLQVKHYWYQAZHD-KRWDZBQOSA-N 2 0 345.531 3.284 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CCC(C)C)CC1 ZINC001167471010 1383643559 /nfs/dbraw/zinc/64/35/59/1383643559.db2.gz OVBFSPLQEOSERH-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001167480626 1383646184 /nfs/dbraw/zinc/64/61/84/1383646184.db2.gz NZGYVCPDHXVNPA-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP COC(=O)c1c[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)c2ccn(C)c21 ZINC001167751124 1383729635 /nfs/dbraw/zinc/72/96/35/1383729635.db2.gz ICRWLXHTVXUCHP-AWEZNQCLSA-N 2 0 344.459 3.036 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001167824266 1383749497 /nfs/dbraw/zinc/74/94/97/1383749497.db2.gz CYRSDBRKHVWDQA-KRWDZBQOSA-N 2 0 349.494 3.094 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC001167825243 1383750038 /nfs/dbraw/zinc/75/00/38/1383750038.db2.gz INEZQIFDSHTTNS-QGZVFWFLSA-N 2 0 344.503 3.460 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001167825978 1383750412 /nfs/dbraw/zinc/75/04/12/1383750412.db2.gz LXQJQXSOTNAPGO-JBACZVJFSA-N 2 0 329.532 3.456 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2cc(OC)ccn2)C1 ZINC001167833668 1383752995 /nfs/dbraw/zinc/75/29/95/1383752995.db2.gz CXPNKCWYWCQSLM-WMZOPIPTSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)CCNC(=O)OC(C)(C)C ZINC001167841737 1383756658 /nfs/dbraw/zinc/75/66/58/1383756658.db2.gz PXERWJPHFWHHEB-MRXNPFEDSA-N 2 0 329.529 3.344 20 0 EGADRP COc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc(OC)c1 ZINC001167961183 1383779766 /nfs/dbraw/zinc/77/97/66/1383779766.db2.gz FZFVHTMDSWMUDN-YQQQUEKLSA-N 2 0 344.499 3.241 20 0 EGADRP CC(=O)Nc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167974320 1383783522 /nfs/dbraw/zinc/78/35/22/1383783522.db2.gz VXKFDHZATKEGNA-SEJPIABJSA-N 2 0 341.499 3.183 20 0 EGADRP COc1cccnc1C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167978214 1383784822 /nfs/dbraw/zinc/78/48/22/1383784822.db2.gz MKZDBVFSTZAMCM-AYHJJNSGSA-N 2 0 343.515 3.363 20 0 EGADRP CN(CC[N@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004296 1383794309 /nfs/dbraw/zinc/79/43/09/1383794309.db2.gz SKUKUUHOEFDNQD-CBQGHPETSA-N 2 0 341.543 3.456 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CN3CCC2CC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008624 1383795637 /nfs/dbraw/zinc/79/56/37/1383795637.db2.gz FPVLWPCNMWSHBG-JWWGGVBKSA-N 2 0 327.516 3.112 20 0 EGADRP C[C@@H]1CC(N2CC[NH+](CC3CC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051085 1383804217 /nfs/dbraw/zinc/80/42/17/1383804217.db2.gz FYRMETJTNNXODC-RTBURBONSA-N 2 0 341.543 3.456 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC3(C[NH+](C)C3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054716 1383805609 /nfs/dbraw/zinc/80/56/09/1383805609.db2.gz AOMJIMXSIKBWFP-CEQLMSFQSA-N 2 0 341.543 3.456 20 0 EGADRP C[C@H]1CC([N@@H+]2CCC3(CN(C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056270 1383805970 /nfs/dbraw/zinc/80/59/70/1383805970.db2.gz FBEHEKFKKUXVSP-ROUUACIJSA-N 2 0 327.516 3.066 20 0 EGADRP CC[N@@H+]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168063360 1383808645 /nfs/dbraw/zinc/80/86/45/1383808645.db2.gz AMABMBBWWJOCGZ-GBESFXJTSA-N 2 0 329.532 3.454 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168297559 1383866645 /nfs/dbraw/zinc/86/66/45/1383866645.db2.gz CQUARZIWMVOIQQ-LADRWXRNSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC1 ZINC001168321880 1383872359 /nfs/dbraw/zinc/87/23/59/1383872359.db2.gz LJNFMSFNZBENTB-OTGCGEFBSA-N 2 0 341.499 3.129 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326553 1383873455 /nfs/dbraw/zinc/87/34/55/1383873455.db2.gz BAFWNCMVBGYOJA-NJINODPHSA-N 2 0 339.524 3.094 20 0 EGADRP [NH3+]Cc1cc(Br)ccc1NC1CC[NH+](CC2CC2)CC1 ZINC001168364623 1383884515 /nfs/dbraw/zinc/88/45/15/1383884515.db2.gz FWZBZWODBGQFCO-UHFFFAOYSA-N 2 0 338.293 3.194 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CCCC(C)(C)C)cc1 ZINC001168435123 1383905662 /nfs/dbraw/zinc/90/56/62/1383905662.db2.gz WQMXGAKCIUTDJA-UHFFFAOYSA-N 2 0 333.520 3.284 20 0 EGADRP COc1cccc([C@H](CNc2cc[nH+]cc2C(F)(F)F)[NH+](C)C)c1 ZINC001306908983 1383919172 /nfs/dbraw/zinc/91/91/72/1383919172.db2.gz QMQFKSKIYSUSKU-INIZCTEOSA-N 2 0 339.361 3.246 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH+]3CCC([N@H+](C)C4CC4)CC3)CCO2)cc1 ZINC001168665370 1383964213 /nfs/dbraw/zinc/96/42/13/1383964213.db2.gz PNWHMLPUTPFJRE-TZIWHRDSSA-N 2 0 344.499 3.474 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)C(C)C ZINC001168666994 1383964793 /nfs/dbraw/zinc/96/47/93/1383964793.db2.gz PFCYRSKGOXGGAF-ACBHZAAOSA-N 2 0 339.568 3.275 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]Cc1cc(C)ccc1C)C(C)C ZINC001168666196 1383964859 /nfs/dbraw/zinc/96/48/59/1383964859.db2.gz ALPSREPERGPARU-FQEVSTJZSA-N 2 0 347.547 3.266 20 0 EGADRP CCN(CCC[NH+]1CCC(C[NH+](CC)CC)CC1)CC(F)(F)F ZINC001307416662 1383985479 /nfs/dbraw/zinc/98/54/79/1383985479.db2.gz MDORWIROXSWRGX-UHFFFAOYSA-N 2 0 337.474 3.315 20 0 EGADRP CN(CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC001307736077 1384021842 /nfs/dbraw/zinc/02/18/42/1384021842.db2.gz KPHYUVIRBOQINR-OYRHEFFESA-N 2 0 335.495 3.187 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2COC3(CCCCC3)O2)cc1 ZINC001168839789 1384028290 /nfs/dbraw/zinc/02/82/90/1384028290.db2.gz WXJJXWKTSASPLC-LJQANCHMSA-N 2 0 332.488 3.256 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001169079306 1384104009 /nfs/dbraw/zinc/10/40/09/1384104009.db2.gz RAUAWTFZLJCUJX-BHIFYINESA-N 2 0 343.559 3.354 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001169085522 1384104503 /nfs/dbraw/zinc/10/45/03/1384104503.db2.gz NWZWSJVHHRWIKN-JOCHJYFZSA-N 2 0 343.559 3.357 20 0 EGADRP C[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001308200107 1384108543 /nfs/dbraw/zinc/10/85/43/1384108543.db2.gz UAARTHVRPHRDED-RTBURBONSA-N 2 0 329.532 3.361 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccccc3Cl)CC1)C2 ZINC001169115357 1384109145 /nfs/dbraw/zinc/10/91/45/1384109145.db2.gz JHEXWEOTVDMCDP-PIIMJCKOSA-N 2 0 347.934 3.301 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCCCC3=O)cc1)C2 ZINC001169116956 1384109359 /nfs/dbraw/zinc/10/93/59/1384109359.db2.gz UWICCQPZDLRGJW-VJDPLVQDSA-N 2 0 341.499 3.308 20 0 EGADRP CC1(C)C[C@H](Nc2cc(O[C@H]3CCOC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169145744 1384114521 /nfs/dbraw/zinc/11/45/21/1384114521.db2.gz HAJDXIQMFODETN-URLQWDBASA-N 2 0 333.476 3.205 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153413 1384116253 /nfs/dbraw/zinc/11/62/53/1384116253.db2.gz IQCNAYUIOFGSEN-BURNTYAHSA-N 2 0 327.516 3.208 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160918 1384117844 /nfs/dbraw/zinc/11/78/44/1384117844.db2.gz MSAJJHCQJXCFHP-VNTMZGSJSA-N 2 0 342.483 3.067 20 0 EGADRP CC[NH+]1CCC([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 ZINC001169230089 1384125327 /nfs/dbraw/zinc/12/53/27/1384125327.db2.gz OVCZGIKAQSENDU-UHFFFAOYSA-N 2 0 326.366 3.441 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001308896530 1384157467 /nfs/dbraw/zinc/15/74/67/1384157467.db2.gz BDVLNGJMBRFAIE-WIYYLYMNSA-N 3 0 329.532 3.076 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2COc3c(F)cc(F)cc3C2)CC1 ZINC001308976386 1384163469 /nfs/dbraw/zinc/16/34/69/1384163469.db2.gz FJTYFQDCTGQDQA-KRWDZBQOSA-N 2 0 338.442 3.368 20 0 EGADRP CC(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169596665 1384163523 /nfs/dbraw/zinc/16/35/23/1384163523.db2.gz OJYUVOXGEIJOTF-NJDAHSKKSA-N 2 0 343.515 3.078 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(N2CCOCC2)cc[nH+]1 ZINC001169683910 1384173715 /nfs/dbraw/zinc/17/37/15/1384173715.db2.gz FQSYHMGDYQVKON-GOSISDBHSA-N 2 0 338.455 3.158 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc(N2CC[NH2+]CC2)c1 ZINC001169692427 1384174480 /nfs/dbraw/zinc/17/44/80/1384174480.db2.gz SXKGLLNEHZUXON-HXUWFJFHSA-N 2 0 336.483 3.336 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001169699299 1384175029 /nfs/dbraw/zinc/17/50/29/1384175029.db2.gz WZEOIMNZZRPTFY-GOSISDBHSA-N 2 0 347.466 3.261 20 0 EGADRP C[NH+]1CCC(CCC[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169747779 1384182073 /nfs/dbraw/zinc/18/20/73/1384182073.db2.gz OXWNQUADBAWKLO-HXUWFJFHSA-N 2 0 343.515 3.003 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001169809967 1384187823 /nfs/dbraw/zinc/18/78/23/1384187823.db2.gz MUXFAIVISQWAGA-XLIONFOSSA-N 2 0 345.531 3.108 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169949181 1384202547 /nfs/dbraw/zinc/20/25/47/1384202547.db2.gz LKQHLQKLJHWKGH-FQEVSTJZSA-N 2 0 344.499 3.269 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)CCO1 ZINC001170159688 1384251514 /nfs/dbraw/zinc/25/15/14/1384251514.db2.gz BUMLACDOMPDPHV-CABCVRRESA-N 2 0 326.506 3.122 20 0 EGADRP Cc1cccnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170522532 1384334789 /nfs/dbraw/zinc/33/47/89/1384334789.db2.gz ODUPLJPJHKKXHV-UHFFFAOYSA-N 2 0 334.467 3.300 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527522 1384336121 /nfs/dbraw/zinc/33/61/21/1384336121.db2.gz ZFYRYJWVDQJBMN-DDBAPUKQSA-N 2 0 348.462 3.239 20 0 EGADRP C[NH+](C)/C=C/c1ccncc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170631767 1384353728 /nfs/dbraw/zinc/35/37/28/1384353728.db2.gz XNOLZGGBLLXVIJ-QPJJXVBHSA-N 2 0 340.515 3.348 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170785469 1384384710 /nfs/dbraw/zinc/38/47/10/1384384710.db2.gz MNBKBMWKKXFFJQ-PKOBYXMFSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001170786011 1384385266 /nfs/dbraw/zinc/38/52/66/1384385266.db2.gz YZMBHKZTXKBVGK-IBGZPJMESA-N 2 0 349.494 3.076 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170817477 1384390751 /nfs/dbraw/zinc/39/07/51/1384390751.db2.gz NCJOYVUMJOURJK-YLJYHZDGSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170821165 1384391882 /nfs/dbraw/zinc/39/18/82/1384391882.db2.gz ZVUGOGXIRGTMEY-VQIMIIECSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170844145 1384397201 /nfs/dbraw/zinc/39/72/01/1384397201.db2.gz IDKWJOKKEZUNPW-MRXNPFEDSA-N 2 0 325.294 3.238 20 0 EGADRP Brc1ccc2c(c1)C[C@@H]([NH2+]CC13CC[NH+](CC1)CC3)CC2 ZINC001170857410 1384399880 /nfs/dbraw/zinc/39/98/80/1384399880.db2.gz QNSJNCWYBIAGDO-KRWDZBQOSA-N 2 0 349.316 3.382 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863624 1384400798 /nfs/dbraw/zinc/40/07/98/1384400798.db2.gz WPTRQUZMOKTHDM-ZHALLVOQSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170871663 1384402408 /nfs/dbraw/zinc/40/24/08/1384402408.db2.gz QLCCUDJBGNMGMV-YTQUADARSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)Cc1ccc(Br)cc1NCC[C@@H](C)[NH3+] ZINC001170895587 1384407449 /nfs/dbraw/zinc/40/74/49/1384407449.db2.gz UXWRQOPZTGNPIP-GFCCVEGCSA-N 2 0 328.298 3.440 20 0 EGADRP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170971482 1384420714 /nfs/dbraw/zinc/42/07/14/1384420714.db2.gz OPJRPOVCXPKSLS-GOSISDBHSA-N 2 0 339.458 3.114 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170976580 1384422230 /nfs/dbraw/zinc/42/22/30/1384422230.db2.gz VOEHHBCQCQTPFL-SFHVURJKSA-N 2 0 342.458 3.413 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014537 1384430276 /nfs/dbraw/zinc/43/02/76/1384430276.db2.gz ZRKYWTIITPLIKT-QGZVFWFLSA-N 2 0 325.431 3.209 20 0 EGADRP NC(=[NH2+])SCCSC(=[NH2+])N[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171104707 1384446329 /nfs/dbraw/zinc/44/63/29/1384446329.db2.gz JGKSHORHXOEBBJ-GFCCVEGCSA-N 2 0 342.921 3.082 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1cc(C)ccc1C ZINC001316603429 1384471176 /nfs/dbraw/zinc/47/11/76/1384471176.db2.gz COCIZKZRCDZDLA-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171236507 1384476473 /nfs/dbraw/zinc/47/64/73/1384476473.db2.gz MYMBUPHKANZULQ-MRXNPFEDSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171235702 1384476777 /nfs/dbraw/zinc/47/67/77/1384476777.db2.gz IUGQWXJMHWMYOB-MOPGFXCFSA-N 2 0 337.552 3.195 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171331256 1384496108 /nfs/dbraw/zinc/49/61/08/1384496108.db2.gz XSUYPOIVSHZSRM-ZYHOBAKYSA-N 2 0 337.552 3.482 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330306 1384496206 /nfs/dbraw/zinc/49/62/06/1384496206.db2.gz SNELGAPURSMYPZ-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001316639673 1384499545 /nfs/dbraw/zinc/49/95/45/1384499545.db2.gz NTJYRRSDHRHAOF-GUDVDZBRSA-N 2 0 337.552 3.172 20 0 EGADRP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001335764567 1388926651 /nfs/dbraw/zinc/92/66/51/1388926651.db2.gz OBCOFAGIXNOCJJ-VXIBKDFQSA-N 2 0 336.520 3.208 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439088 1384524035 /nfs/dbraw/zinc/52/40/35/1384524035.db2.gz WBSPYIRXABMEJC-RTBURBONSA-N 2 0 346.490 3.258 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001316710485 1384533989 /nfs/dbraw/zinc/53/39/89/1384533989.db2.gz ZJFVMESKPACYRV-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP Fc1cc2c(cc1F)C[C@@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171477107 1384535173 /nfs/dbraw/zinc/53/51/73/1384535173.db2.gz QYOIRVWLWXNEFT-KRWDZBQOSA-N 2 0 329.394 3.039 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171506314 1384545294 /nfs/dbraw/zinc/54/52/94/1384545294.db2.gz UNOXMECATYZNAP-AWEZNQCLSA-N 2 0 326.406 3.425 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001171509358 1384545831 /nfs/dbraw/zinc/54/58/31/1384545831.db2.gz OIEHPHDWUDKPLS-IEBWSBKVSA-N 2 0 333.520 3.100 20 0 EGADRP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC001171511552 1384547064 /nfs/dbraw/zinc/54/70/64/1384547064.db2.gz ILHZRORSFRUXAU-AWEZNQCLSA-N 2 0 326.406 3.427 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171547172 1384558971 /nfs/dbraw/zinc/55/89/71/1384558971.db2.gz RWJNHWOWVSXQNB-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)C2 ZINC001171557493 1384561759 /nfs/dbraw/zinc/56/17/59/1384561759.db2.gz UBQGJYPLLAXKDZ-FUHWJXTLSA-N 2 0 347.503 3.032 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571412 1384566876 /nfs/dbraw/zinc/56/68/76/1384566876.db2.gz XRKCNVDHKDRYNH-LEWJYISDSA-N 2 0 342.527 3.428 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001171579610 1384570403 /nfs/dbraw/zinc/57/04/03/1384570403.db2.gz YPSNAGPILBAGAE-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001171585995 1384572246 /nfs/dbraw/zinc/57/22/46/1384572246.db2.gz GSENLITTXUYUFT-QGZVFWFLSA-N 2 0 327.557 3.418 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCF)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618653 1384581823 /nfs/dbraw/zinc/58/18/23/1384581823.db2.gz LUJWPKPYDLZPOT-INIZCTEOSA-N 2 0 343.531 3.264 20 0 EGADRP COc1cccc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1OC ZINC001171619018 1384581829 /nfs/dbraw/zinc/58/18/29/1384581829.db2.gz DUDYONABAVEERH-UHFFFAOYSA-N 2 0 334.504 3.487 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC1(C)C ZINC001171629693 1384585900 /nfs/dbraw/zinc/58/59/00/1384585900.db2.gz CGCQNEBYTOACIV-QAQDUYKDSA-N 2 0 349.563 3.455 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1(C)C ZINC001171631502 1384586220 /nfs/dbraw/zinc/58/62/20/1384586220.db2.gz JXJASNAJMKJJHI-INIZCTEOSA-N 2 0 336.442 3.417 20 0 EGADRP C[NH+]1C(C)(C)CC([NH+]2CCC(N3CCCCC3=O)CC2)CC1(C)C ZINC001171643381 1384590660 /nfs/dbraw/zinc/59/06/60/1384590660.db2.gz RYUODAUZNVQTEC-UHFFFAOYSA-N 2 0 335.536 3.115 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171668809 1384596181 /nfs/dbraw/zinc/59/61/81/1384596181.db2.gz MBAJGTMRUXOMJQ-MRXNPFEDSA-N 2 0 349.544 3.141 20 0 EGADRP C[C@H]1C[C@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C[N@@H+]1Cc1ccccc1 ZINC001171747544 1384624413 /nfs/dbraw/zinc/62/44/13/1384624413.db2.gz BPJQLHVFCYYCAH-RXVVDRJESA-N 2 0 339.527 3.067 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001171762366 1384628563 /nfs/dbraw/zinc/62/85/63/1384628563.db2.gz BCOYLTQKAYMJKE-KRWDZBQOSA-N 2 0 347.547 3.483 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812937 1384647174 /nfs/dbraw/zinc/64/71/74/1384647174.db2.gz UZMRTRQTBKHUAS-MRXNPFEDSA-N 2 0 328.460 3.179 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812463 1384647397 /nfs/dbraw/zinc/64/73/97/1384647397.db2.gz QSAKURSWODSZCW-MRXNPFEDSA-N 2 0 342.487 3.403 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171907247 1384677264 /nfs/dbraw/zinc/67/72/64/1384677264.db2.gz QYRFYFAEACZQPP-HXUWFJFHSA-N 2 0 345.531 3.345 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171923215 1384683675 /nfs/dbraw/zinc/68/36/75/1384683675.db2.gz DMJXSZKMEKZVSM-YOYZPVNRSA-N 2 0 349.563 3.482 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171983458 1384704191 /nfs/dbraw/zinc/70/41/91/1384704191.db2.gz XJGIEXLVCGEVOK-NLWGTHIKSA-N 2 0 329.532 3.454 20 0 EGADRP C[NH+](C)[C@H]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985527 1384704448 /nfs/dbraw/zinc/70/44/48/1384704448.db2.gz XRMDDHDBWIUWIS-PMACEKPBSA-N 2 0 329.532 3.456 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063757 1384715090 /nfs/dbraw/zinc/71/50/90/1384715090.db2.gz CHGIHOOMHZFSOD-WHZJULEDSA-N 2 0 328.500 3.465 20 0 EGADRP COC(=O)[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067783 1384716692 /nfs/dbraw/zinc/71/66/92/1384716692.db2.gz FPETYVIDVDTSDC-ZRNYENFQSA-N 2 0 342.483 3.067 20 0 EGADRP CCC[N@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172078513 1384721211 /nfs/dbraw/zinc/72/12/11/1384721211.db2.gz CAMVWIZXHCCYAL-BJWYYQGGSA-N 2 0 339.524 3.368 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCc2ccncn2)C3)cc1 ZINC001172079554 1384721260 /nfs/dbraw/zinc/72/12/60/1384721260.db2.gz PDWUFUKEDACIQA-MZADTFQBSA-N 2 0 336.483 3.194 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001172107691 1384728163 /nfs/dbraw/zinc/72/81/63/1384728163.db2.gz ATMAPRCECLNSPL-BWTSREIZSA-N 2 0 331.479 3.091 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3cccc(F)c3)CC1)C2 ZINC001172110613 1384729738 /nfs/dbraw/zinc/72/97/38/1384729738.db2.gz KXGMTHYZVUNPMB-PMOLBWCYSA-N 2 0 345.506 3.177 20 0 EGADRP COc1ccccc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121750 1384733935 /nfs/dbraw/zinc/73/39/35/1384733935.db2.gz LXBUEWHJIQDWHR-VSZNYVQBSA-N 2 0 330.472 3.164 20 0 EGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127362 1384736742 /nfs/dbraw/zinc/73/67/42/1384736742.db2.gz IPYOTYDJGJFEHO-KJJMTIBFSA-N 2 0 341.543 3.456 20 0 EGADRP CC(=O)OC[C@H]1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172130418 1384737892 /nfs/dbraw/zinc/73/78/92/1384737892.db2.gz PBFIOCKENPIRHD-HAGHYFMRSA-N 2 0 348.531 3.447 20 0 EGADRP Cc1cccnc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172133592 1384738725 /nfs/dbraw/zinc/73/87/25/1384738725.db2.gz TXFWZXRJOBSRRI-YDZRNGNQSA-N 2 0 329.488 3.249 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC001172218550 1384749996 /nfs/dbraw/zinc/74/99/96/1384749996.db2.gz XNNRPWVNEKJGLJ-RPISWGOISA-N 2 0 326.484 3.197 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172210188 1384750133 /nfs/dbraw/zinc/75/01/33/1384750133.db2.gz VUBHWQOPQHVKTD-QGZVFWFLSA-N 2 0 325.481 3.229 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC001172218549 1384750146 /nfs/dbraw/zinc/75/01/46/1384750146.db2.gz XNNRPWVNEKJGLJ-ANSZIFSMSA-N 2 0 326.484 3.197 20 0 EGADRP COCCC[NH+]1CCC(n2c(C[NH3+])cc3cc(Cl)ccc32)CC1 ZINC001172242447 1384754011 /nfs/dbraw/zinc/75/40/11/1384754011.db2.gz CCWXVHGSRQRBLP-UHFFFAOYSA-N 2 0 335.879 3.427 20 0 EGADRP COCCC[NH+]1CCC(n2cc(C[NH3+])c3cc(Cl)ccc32)CC1 ZINC001172247658 1384755755 /nfs/dbraw/zinc/75/57/55/1384755755.db2.gz RTQPZXPZXDITRA-UHFFFAOYSA-N 2 0 335.879 3.427 20 0 EGADRP CC1(C)C[C@H](n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)CO1 ZINC001172277941 1384757697 /nfs/dbraw/zinc/75/76/97/1384757697.db2.gz NIANUNKMDBIVAW-SFHVURJKSA-N 2 0 341.499 3.347 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001172336706 1384773527 /nfs/dbraw/zinc/77/35/27/1384773527.db2.gz NSULCHPAAFMKNC-DLBZAZTESA-N 2 0 326.525 3.061 20 0 EGADRP C[C@@H]1CC[C@@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C[C@H]1C ZINC001172376251 1384780539 /nfs/dbraw/zinc/78/05/39/1384780539.db2.gz UFLQMEFNPJUELO-KZNAEPCWSA-N 2 0 330.520 3.162 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)CCOC(C)C)cc2)CC1 ZINC001172447275 1384794149 /nfs/dbraw/zinc/79/41/49/1384794149.db2.gz HQLLVZZQKRXAID-LJQANCHMSA-N 2 0 347.547 3.117 20 0 EGADRP CC(C)COCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001172465268 1384798746 /nfs/dbraw/zinc/79/87/46/1384798746.db2.gz TWAJCELNFUNXGZ-GOSISDBHSA-N 2 0 340.552 3.166 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CCCC3CCC3)C2)CCC1 ZINC001317036367 1384806673 /nfs/dbraw/zinc/80/66/73/1384806673.db2.gz DVRQZWKTRROILS-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172545987 1384810825 /nfs/dbraw/zinc/81/08/25/1384810825.db2.gz NYNVGNRRFFFSTQ-RTBURBONSA-N 2 0 344.499 3.459 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172559540 1384811873 /nfs/dbraw/zinc/81/18/73/1384811873.db2.gz ZDUXTDFWMHVDOR-RTWAWAEBSA-N 2 0 329.532 3.282 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172559539 1384811995 /nfs/dbraw/zinc/81/19/95/1384811995.db2.gz ZDUXTDFWMHVDOR-NHCUHLMSSA-N 2 0 329.532 3.282 20 0 EGADRP c1ccc([C@@H]2CC[C@H]([NH+]3CCN(CC[NH+]4CCCC4)CC3)C2)cc1 ZINC001172569327 1384813618 /nfs/dbraw/zinc/81/36/18/1384813618.db2.gz SIIFMXAOCPJRDJ-RTWAWAEBSA-N 2 0 327.516 3.036 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172602111 1384817221 /nfs/dbraw/zinc/81/72/21/1384817221.db2.gz GNPDGGBYGJUORU-NCXUSEDFSA-N 2 0 336.520 3.480 20 0 EGADRP Clc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001172717685 1384835856 /nfs/dbraw/zinc/83/58/56/1384835856.db2.gz RILHASBCUNXJOO-HXUWFJFHSA-N 2 0 348.918 3.288 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001317067886 1384837257 /nfs/dbraw/zinc/83/72/57/1384837257.db2.gz IBLYTXFJLIQTOK-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172758666 1384844702 /nfs/dbraw/zinc/84/47/02/1384844702.db2.gz JCHTXIJOKUHBMU-YSIASYRMSA-N 2 0 344.499 3.171 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)C1CCCCC1 ZINC001317083408 1384846779 /nfs/dbraw/zinc/84/67/79/1384846779.db2.gz WZBFCJCBDQEZMJ-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172809954 1384857710 /nfs/dbraw/zinc/85/77/10/1384857710.db2.gz LUGICYDKMPSFNA-RZBXZUARSA-N 2 0 349.519 3.155 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC001172949241 1384887305 /nfs/dbraw/zinc/88/73/05/1384887305.db2.gz IOQUUCWOMYUYDP-INIZCTEOSA-N 2 0 327.513 3.098 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001172951962 1384888437 /nfs/dbraw/zinc/88/84/37/1384888437.db2.gz XTKWULMUDWJKKW-FHERZECASA-N 2 0 327.513 3.094 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCCCCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173052204 1384902195 /nfs/dbraw/zinc/90/21/95/1384902195.db2.gz DLSCDVCJDLCAHF-CVEARBPZSA-N 2 0 327.513 3.273 20 0 EGADRP C[C@@H]1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001173067570 1384905708 /nfs/dbraw/zinc/90/57/08/1384905708.db2.gz BWMNCHHDKUQZRH-WBVHZDCISA-N 2 0 339.524 3.048 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075832 1384908473 /nfs/dbraw/zinc/90/84/73/1384908473.db2.gz LRMGYMPNMFIMLK-IRXDYDNUSA-N 2 0 341.540 3.438 20 0 EGADRP CCCOC1CCC([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173096206 1384913236 /nfs/dbraw/zinc/91/32/36/1384913236.db2.gz WXFWBTNLELIXNR-USZBZKHASA-N 2 0 338.536 3.475 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCC3(CCC(=O)N3C)CC2)CC1 ZINC001173105906 1384915685 /nfs/dbraw/zinc/91/56/85/1384915685.db2.gz YBYAIRUWYSUICU-UHFFFAOYSA-N 2 0 335.536 3.163 20 0 EGADRP COc1cccc2c1C[C@H]([N@H+](C)CC1CC[NH+](C(C)C)CC1)CO2 ZINC001173160912 1384927529 /nfs/dbraw/zinc/92/75/29/1384927529.db2.gz MMNACSPBPVGFQL-KRWDZBQOSA-N 2 0 332.488 3.051 20 0 EGADRP CC[C@H]1CC[C@H]([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001173281357 1384951385 /nfs/dbraw/zinc/95/13/85/1384951385.db2.gz XXVZOLOGNRWYLX-ROUUACIJSA-N 2 0 330.520 3.306 20 0 EGADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173343176 1384962982 /nfs/dbraw/zinc/96/29/82/1384962982.db2.gz GCCAWJOHHBYQRK-GUDVDZBRSA-N 2 0 349.563 3.458 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC001173614958 1384988909 /nfs/dbraw/zinc/98/89/09/1384988909.db2.gz ZKOJHTHCIIUOJD-BIXGBWIQSA-N 2 0 348.531 3.449 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001173622963 1384990728 /nfs/dbraw/zinc/99/07/28/1384990728.db2.gz PCCAYBUMXLKGLN-NZSAHSFTSA-N 2 0 332.488 3.391 20 0 EGADRP Cc1c(C(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)ccc2c[nH+]cn21 ZINC001317217785 1384997571 /nfs/dbraw/zinc/99/75/71/1384997571.db2.gz OASDAWDHBYTWLM-XNWCZRBMSA-N 2 0 346.862 3.026 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC001173716443 1385007820 /nfs/dbraw/zinc/00/78/20/1385007820.db2.gz YJOVEFCXVPYWEH-MRXNPFEDSA-N 2 0 340.467 3.256 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906726 1385168557 /nfs/dbraw/zinc/16/85/57/1385168557.db2.gz WWMBDNJCDBKXIL-CXLYAGSJSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCC[NH+](C)C ZINC001174947764 1385173125 /nfs/dbraw/zinc/17/31/25/1385173125.db2.gz DZZMYLXHSUNURJ-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)cs1 ZINC001174948380 1385173215 /nfs/dbraw/zinc/17/32/15/1385173215.db2.gz LEFMXICPWJRIAI-OAHLLOKOSA-N 2 0 339.549 3.163 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949083 1385173383 /nfs/dbraw/zinc/17/33/83/1385173383.db2.gz PVXLHJZTKDZHMM-SFHVURJKSA-N 2 0 349.563 3.483 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175057245 1385187633 /nfs/dbraw/zinc/18/76/33/1385187633.db2.gz XWQTWHDJCPNKOW-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175264671 1385234583 /nfs/dbraw/zinc/23/45/83/1385234583.db2.gz UJQJRNAWJUEENY-LPHOPBHVSA-N 2 0 343.531 3.120 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001175307156 1385247248 /nfs/dbraw/zinc/24/72/48/1385247248.db2.gz VPVVMDZQMGIAHB-AEFFLSMTSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001175317593 1385251209 /nfs/dbraw/zinc/25/12/09/1385251209.db2.gz QGJQORKTTODPTJ-ICSRJNTNSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1cccc(C)c1 ZINC001317545215 1385290614 /nfs/dbraw/zinc/29/06/14/1385290614.db2.gz WOBYJYTXJNZAPY-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CC1 ZINC001317547935 1385300741 /nfs/dbraw/zinc/30/07/41/1385300741.db2.gz QBSHVNMOANGIJS-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCc2ncc(NC3=CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC001175505616 1385315433 /nfs/dbraw/zinc/31/54/33/1385315433.db2.gz VSJRXSAIRLVUTL-UHFFFAOYSA-N 2 0 334.467 3.271 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001317554191 1385317882 /nfs/dbraw/zinc/31/78/82/1385317882.db2.gz UUNMYWISSYYRIZ-VQTJNVASSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175565336 1385333741 /nfs/dbraw/zinc/33/37/41/1385333741.db2.gz JLXWUVYRKACNRI-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001175566750 1385334225 /nfs/dbraw/zinc/33/42/25/1385334225.db2.gz ZGQACRALGWRAQE-GOSISDBHSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581298 1385338673 /nfs/dbraw/zinc/33/86/73/1385338673.db2.gz JXRVEMXHQNEFQG-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581176 1385339024 /nfs/dbraw/zinc/33/90/24/1385339024.db2.gz IDNBUEJCZCHSAA-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+]1CCC(COc2ccc(NC3=CCC[N@H+](C)C3)cc2F)CC1 ZINC001175582469 1385339950 /nfs/dbraw/zinc/33/99/50/1385339950.db2.gz DGTIZKOCTQIBDT-UHFFFAOYSA-N 2 0 333.451 3.178 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175728936 1385387117 /nfs/dbraw/zinc/38/71/17/1385387117.db2.gz HOZYUEOJVOPMCX-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001175739528 1385391910 /nfs/dbraw/zinc/39/19/10/1385391910.db2.gz QAOQKZYNTXNDFO-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)CC1 ZINC001175968015 1385447748 /nfs/dbraw/zinc/44/77/48/1385447748.db2.gz SMRMWFIWVRZBIX-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC)c1 ZINC001176024502 1385464069 /nfs/dbraw/zinc/46/40/69/1385464069.db2.gz PDWOPNSOOHBGSQ-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176024738 1385464212 /nfs/dbraw/zinc/46/42/12/1385464212.db2.gz RENHJCARIMFRKH-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001176025201 1385464754 /nfs/dbraw/zinc/46/47/54/1385464754.db2.gz ZDSWVVYNAVVRJN-IBGZPJMESA-N 2 0 347.547 3.144 20 0 EGADRP COc1cccc2[nH]c(Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc21 ZINC001176061506 1385475290 /nfs/dbraw/zinc/47/52/90/1385475290.db2.gz KQOJYILCWUBULH-UHFFFAOYSA-N 2 0 337.427 3.067 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001176110032 1385486450 /nfs/dbraw/zinc/48/64/50/1385486450.db2.gz ICNQPXVXFUSIDM-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120139 1385489588 /nfs/dbraw/zinc/48/95/88/1385489588.db2.gz JLQVFVAQUJYNAQ-MJGOQNOKSA-N 2 0 333.520 3.354 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185023 1385504933 /nfs/dbraw/zinc/50/49/33/1385504933.db2.gz RRJCEEYYYHSCQX-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccc(CC[NH+](C)C)cc2)cc1 ZINC001176228368 1385519662 /nfs/dbraw/zinc/51/96/62/1385519662.db2.gz KABAVIGFNYZKPC-UHFFFAOYSA-N 2 0 327.472 3.475 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176269243 1385532450 /nfs/dbraw/zinc/53/24/50/1385532450.db2.gz SLEGKGQBACKSGZ-SFHVURJKSA-N 2 0 337.552 3.483 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001317856908 1385541891 /nfs/dbraw/zinc/54/18/91/1385541891.db2.gz KPXXQRNXOHUKRS-UYAOXDASSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001176328806 1385553183 /nfs/dbraw/zinc/55/31/83/1385553183.db2.gz YJMYKTZPIGWZOJ-GOSISDBHSA-N 2 0 331.504 3.110 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc(C[NH+](C)C)cc2)cn1 ZINC001176355083 1385561666 /nfs/dbraw/zinc/56/16/66/1385561666.db2.gz KZHBYRBQFAOJKU-UHFFFAOYSA-N 2 0 328.460 3.217 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001176572555 1385629406 /nfs/dbraw/zinc/62/94/06/1385629406.db2.gz BDUCUIIAXYVQHB-XWGMLZDCSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001318281088 1385639938 /nfs/dbraw/zinc/63/99/38/1385639938.db2.gz DUJCBFWWQHZRTQ-MJGOQNOKSA-N 2 0 345.531 3.224 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CCC[NH+]1CCCC1 ZINC001176728524 1385674305 /nfs/dbraw/zinc/67/43/05/1385674305.db2.gz LHWJCVRKGXMVOL-IBGZPJMESA-N 2 0 345.531 3.327 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176753268 1385684486 /nfs/dbraw/zinc/68/44/86/1385684486.db2.gz DOIFKTVTTRJJMR-JLAWEPINSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)CCCC[NH2+]CC2CC2)o1 ZINC001176809780 1385709632 /nfs/dbraw/zinc/70/96/32/1385709632.db2.gz CUWSBMRYILYKGJ-INIZCTEOSA-N 2 0 349.519 3.410 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CCCC[NH+]1CCCC1 ZINC001176814081 1385710863 /nfs/dbraw/zinc/71/08/63/1385710863.db2.gz FCLAADBRTRXXKV-YRYLYKBFSA-N 2 0 343.943 3.270 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001176992694 1385766589 /nfs/dbraw/zinc/76/65/89/1385766589.db2.gz XUFCPGATRBCMCM-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001176997290 1385768405 /nfs/dbraw/zinc/76/84/05/1385768405.db2.gz JSRWSUYJLDBWBE-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001176998858 1385768937 /nfs/dbraw/zinc/76/89/37/1385768937.db2.gz IMIUVMGQMDYPJD-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001176997741 1385769058 /nfs/dbraw/zinc/76/90/58/1385769058.db2.gz YYLJCGKOTBBARF-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001176998513 1385769091 /nfs/dbraw/zinc/76/90/91/1385769091.db2.gz ADGBBFQHLCPJPP-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@H](CNC(=O)Cc1[nH]cnc1C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001318592595 1385777230 /nfs/dbraw/zinc/77/72/30/1385777230.db2.gz HLXZVGXSUZBGLP-MLGOLLRUSA-N 2 0 348.878 3.160 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]CC[C@@H](C)F)CC1CCCC1 ZINC001177466912 1385966964 /nfs/dbraw/zinc/96/69/64/1385966964.db2.gz KGVODAVSTVGLDA-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488762 1385976032 /nfs/dbraw/zinc/97/60/32/1385976032.db2.gz LLYBUNRFMXEBOT-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC001319207507 1386006119 /nfs/dbraw/zinc/00/61/19/1386006119.db2.gz NFMMKDGAPYKABM-HXUWFJFHSA-N 2 0 339.458 3.355 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CCCC1)[NH+](C)C ZINC001319384902 1386094645 /nfs/dbraw/zinc/09/46/45/1386094645.db2.gz FSCSYGWLKMEHIL-QHSLDKKCSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045026 1386114914 /nfs/dbraw/zinc/11/49/14/1386114914.db2.gz ARBPUMQRFCGRCD-AZUAARDMSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319461280 1386132186 /nfs/dbraw/zinc/13/21/86/1386132186.db2.gz SLFDCFLJBFTIKJ-INIZCTEOSA-N 2 0 349.494 3.027 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC001178267605 1386176663 /nfs/dbraw/zinc/17/66/63/1386176663.db2.gz MPGHVKMEEJHKLU-SFHVURJKSA-N 2 0 326.488 3.015 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178484067 1386231827 /nfs/dbraw/zinc/23/18/27/1386231827.db2.gz NSKMCWVKHQOXER-FMEUAVTJSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001178693655 1386280310 /nfs/dbraw/zinc/28/03/10/1386280310.db2.gz ZUMROPCBBHVHGA-GOSISDBHSA-N 2 0 325.541 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178729442 1386291839 /nfs/dbraw/zinc/29/18/39/1386291839.db2.gz YDFNZLDZCMMLML-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001178736086 1386292898 /nfs/dbraw/zinc/29/28/98/1386292898.db2.gz NIIMQOGTDJRFLG-FRYIKTPZSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001319810705 1386308478 /nfs/dbraw/zinc/30/84/78/1386308478.db2.gz SCMBVXPEBNVDES-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178810348 1386314536 /nfs/dbraw/zinc/31/45/36/1386314536.db2.gz CUQPKDBKVKQLAR-OALUTQOASA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001178891417 1386340590 /nfs/dbraw/zinc/34/05/90/1386340590.db2.gz SAHFUTJSEVPURJ-SXLOBPIMSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179026188 1386380601 /nfs/dbraw/zinc/38/06/01/1386380601.db2.gz QFSWURKAUIBYJZ-UHFFFAOYSA-N 2 0 328.460 3.180 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179133841 1386407478 /nfs/dbraw/zinc/40/74/78/1386407478.db2.gz BZJFTORMAPKIKD-WUUFJKRQSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179139266 1386408757 /nfs/dbraw/zinc/40/87/57/1386408757.db2.gz JSOWAPUHNXBGGO-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](F)CC)C1 ZINC001179357756 1386461852 /nfs/dbraw/zinc/46/18/52/1386461852.db2.gz KUYATKHGLTWLJI-ROUUACIJSA-N 2 0 343.531 3.123 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC1 ZINC001179461389 1386487971 /nfs/dbraw/zinc/48/79/71/1386487971.db2.gz JLOFQSTWHDEGAB-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H]1C)[NH+](CC)CC ZINC001179518008 1386504243 /nfs/dbraw/zinc/50/42/43/1386504243.db2.gz ZWFLZTDKXGOQTN-YSIASYRMSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCCC2CCC2)C1 ZINC001179587208 1386524025 /nfs/dbraw/zinc/52/40/25/1386524025.db2.gz XKGAWGIGARNJJK-SFHVURJKSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179591221 1386526105 /nfs/dbraw/zinc/52/61/05/1386526105.db2.gz PZHBIVSNSYYDAC-HKUYNNGSSA-N 2 0 337.552 3.031 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001179590577 1386526159 /nfs/dbraw/zinc/52/61/59/1386526159.db2.gz JDVAJYAMUOTRFX-UHFFFAOYSA-N 2 0 347.547 3.471 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179593169 1386526314 /nfs/dbraw/zinc/52/63/14/1386526314.db2.gz YMILHAMDCSVICC-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001179591611 1386526423 /nfs/dbraw/zinc/52/64/23/1386526423.db2.gz XZGZFXYSIACKBC-UHFFFAOYSA-N 2 0 333.520 3.081 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179652059 1386540907 /nfs/dbraw/zinc/54/09/07/1386540907.db2.gz MJADZQAKFPKGSZ-XZJTZLQGSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652056 1386540914 /nfs/dbraw/zinc/54/09/14/1386540914.db2.gz MFUSPWGSESQEFO-GPXQEHKYSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H](C(=O)NCCCCCC[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001179746557 1386570795 /nfs/dbraw/zinc/57/07/95/1386570795.db2.gz XDCXBCNXJJJERK-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001320379997 1386593250 /nfs/dbraw/zinc/59/32/50/1386593250.db2.gz ITGWHWXZXGQPOE-LLVKDONJSA-N 2 0 338.415 3.048 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001179826577 1386598347 /nfs/dbraw/zinc/59/83/47/1386598347.db2.gz XPUISGCZWODGEM-XZJTZLQGSA-N 2 0 335.536 3.042 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCCCCC[NH2+]CCC1CC1)C(C)C ZINC001179842920 1386604638 /nfs/dbraw/zinc/60/46/38/1386604638.db2.gz GGASOCSIZVAQBI-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@@H]1C ZINC001179903472 1386623202 /nfs/dbraw/zinc/62/32/02/1386623202.db2.gz PGYOHYWZTYXZBR-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCCCCC[NH2+]C/C=C/Cl)CC1 ZINC001179965341 1386651231 /nfs/dbraw/zinc/65/12/31/1386651231.db2.gz ZJUDRFUPXQQHSE-JXMROGBWSA-N 2 0 343.943 3.126 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001179986602 1386659306 /nfs/dbraw/zinc/65/93/06/1386659306.db2.gz BBAVMYQAMCBRNY-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065595 1386685391 /nfs/dbraw/zinc/68/53/91/1386685391.db2.gz VIKZIQBEJJQVCU-MSOLQXFVSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cc(C)ccc1C ZINC001180121374 1386703366 /nfs/dbraw/zinc/70/33/66/1386703366.db2.gz MTZDEGCMHVOZRY-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180211319 1386733829 /nfs/dbraw/zinc/73/38/29/1386733829.db2.gz CZTZEJCDNIVTFU-DSQZMVHQSA-N 2 0 335.536 3.188 20 0 EGADRP CC1CCC(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001180274850 1386752328 /nfs/dbraw/zinc/75/23/28/1386752328.db2.gz YTMSOQDJHVJIFX-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)c1ccccc1F ZINC001180279178 1386753648 /nfs/dbraw/zinc/75/36/48/1386753648.db2.gz ZASWUDLAYZYIAW-KRWDZBQOSA-N 2 0 349.494 3.249 20 0 EGADRP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001180310418 1386761029 /nfs/dbraw/zinc/76/10/29/1386761029.db2.gz GZABXPDMUSZAML-RHSMWYFYSA-N 2 0 344.421 3.464 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001321472390 1386911816 /nfs/dbraw/zinc/91/18/16/1386911816.db2.gz SHRXVZJDCVOKPV-HXUWFJFHSA-N 2 0 345.531 3.361 20 0 EGADRP CN(C)c1nc(Cl)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC001181514750 1387007526 /nfs/dbraw/zinc/00/75/26/1387007526.db2.gz NIOFHRDHNSYKBJ-CYBMUJFWSA-N 2 0 342.940 3.026 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)c1cccc(Cl)c1 ZINC001321909957 1387008738 /nfs/dbraw/zinc/00/87/38/1387008738.db2.gz VVTRGCUILQHTRI-LSDHHAIUSA-N 2 0 349.906 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001181727687 1387046327 /nfs/dbraw/zinc/04/63/27/1387046327.db2.gz BQRHNIKZSDJSQG-SLYNCCJLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001698693849 1406337685 /nfs/dbraw/zinc/33/76/85/1406337685.db2.gz FNEQCVAEKQEDDW-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC001181863332 1387065368 /nfs/dbraw/zinc/06/53/68/1387065368.db2.gz ODDYSTPNHDWXCP-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)NCC[C@H]1CCC[NH+]1C)c1ccccc1 ZINC001182236546 1387129277 /nfs/dbraw/zinc/12/92/77/1387129277.db2.gz ROUGSCRPOVFORG-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001182402046 1387160959 /nfs/dbraw/zinc/16/09/59/1387160959.db2.gz RBKXGXOPVPXKTR-WDJFIJIBSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182814450 1387229148 /nfs/dbraw/zinc/22/91/48/1387229148.db2.gz WATCNFINXFUWSK-QWFCFKBJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C1)C(C)C ZINC001182910980 1387245090 /nfs/dbraw/zinc/24/50/90/1387245090.db2.gz SCVAYZCIHHIPOL-WSTZPKSXSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C1 ZINC001182917552 1387246382 /nfs/dbraw/zinc/24/63/82/1387246382.db2.gz OTKDZYDVUGJJNJ-UYAOXDASSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001336779183 1389167274 /nfs/dbraw/zinc/16/72/74/1389167274.db2.gz IGLUODSFMWTTHQ-BLLLJJGKSA-N 2 0 328.859 3.223 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)CC1CCCCC1 ZINC001329623136 1389188923 /nfs/dbraw/zinc/18/89/23/1389188923.db2.gz IFPITVIDACZADO-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]2C1 ZINC001336888624 1389196753 /nfs/dbraw/zinc/19/67/53/1389196753.db2.gz KNFDDVOJLUAUOX-SQWLQELKSA-N 2 0 330.501 3.300 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC001330545464 1389451123 /nfs/dbraw/zinc/45/11/23/1389451123.db2.gz VXCXUQXLCZTMLZ-VTYCOLDWSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001338491652 1389694493 /nfs/dbraw/zinc/69/44/93/1389694493.db2.gz LFGQUJXZNULFQE-CZUORRHYSA-N 2 0 344.421 3.449 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001338517849 1389698935 /nfs/dbraw/zinc/69/89/35/1389698935.db2.gz GMAIZFJHSTURQV-RXVVDRJESA-N 2 0 326.484 3.065 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001338606490 1389714915 /nfs/dbraw/zinc/71/49/15/1389714915.db2.gz WMCHCJWXZYUNJV-UHFFFAOYSA-N 2 0 329.488 3.487 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001332049804 1389958052 /nfs/dbraw/zinc/95/80/52/1389958052.db2.gz QZSYYMCNMMFUHR-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001332505802 1390129152 /nfs/dbraw/zinc/12/91/52/1390129152.db2.gz BDCMVIMSQFGSRF-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC001341585480 1390506830 /nfs/dbraw/zinc/50/68/30/1390506830.db2.gz MYIQDLNYZGPDLE-WMLDXEAASA-N 2 0 349.544 3.246 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001334356271 1390524275 /nfs/dbraw/zinc/52/42/75/1390524275.db2.gz KTISPBVMORFCCA-DZKIICNBSA-N 2 0 336.451 3.005 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@@H]2C1 ZINC001335133198 1390646663 /nfs/dbraw/zinc/64/66/63/1390646663.db2.gz DQCONCTXWBQZJG-JYYAWHABSA-N 2 0 335.517 3.157 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C2CCCC2)n1 ZINC001335582965 1390706049 /nfs/dbraw/zinc/70/60/49/1390706049.db2.gz OSCQVYGUPLGVOJ-YQVWRLOYSA-N 2 0 330.520 3.240 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@@H]2C1 ZINC001345159526 1390842243 /nfs/dbraw/zinc/84/22/43/1390842243.db2.gz JTBIXXGENBUTJV-RLFYNMQTSA-N 2 0 344.503 3.074 20 0 EGADRP Cc1c(C(=O)NCC2([NH2+]C/C=C/Cl)CCCC2)ccc2c[nH+]cn21 ZINC001698798451 1406470699 /nfs/dbraw/zinc/47/06/99/1406470699.db2.gz WLASAMAGONKTMJ-RUDMXATFSA-N 2 0 346.862 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CCCCCC2)CCCC1 ZINC001698806781 1406488873 /nfs/dbraw/zinc/48/88/73/1406488873.db2.gz JQEQZBNWFDQZEM-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC001353316074 1391987870 /nfs/dbraw/zinc/98/78/70/1391987870.db2.gz MGSCFAHFTNLTKN-HNNXBMFYSA-N 2 0 330.394 3.060 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001698845544 1406546253 /nfs/dbraw/zinc/54/62/53/1406546253.db2.gz KUOZOZOXPGJFBQ-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001354486130 1392147331 /nfs/dbraw/zinc/14/73/31/1392147331.db2.gz WYKVCXWHOXBRRX-UHFFFAOYSA-N 2 0 325.456 3.281 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001479315209 1392211920 /nfs/dbraw/zinc/21/19/20/1392211920.db2.gz QKBXHJWNFLKKJD-ZSYWTGECSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2C[N@H+](C(C)C)CC[C@@H]2C1 ZINC001479673208 1392314085 /nfs/dbraw/zinc/31/40/85/1392314085.db2.gz WTQSZFATYAQAQD-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479829178 1392415860 /nfs/dbraw/zinc/41/58/60/1392415860.db2.gz KEGKJVPHPMYRKJ-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479835312 1392421060 /nfs/dbraw/zinc/42/10/60/1392421060.db2.gz VQLWBUQJBJMLRZ-FXAWDEMLSA-N 2 0 345.531 3.377 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001479907340 1392474990 /nfs/dbraw/zinc/47/49/90/1392474990.db2.gz VDAWEGJSOWFVPM-IBGZPJMESA-N 2 0 345.531 3.175 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001480088689 1392578936 /nfs/dbraw/zinc/57/89/36/1392578936.db2.gz BYGPJIZZLUVJCA-KRWDZBQOSA-N 2 0 349.519 3.315 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)CC(C)C)C2)ccc2c[nH+]cn21 ZINC001480145870 1392600660 /nfs/dbraw/zinc/60/06/60/1392600660.db2.gz YAXCGBKYANOWQR-DJIMGWMZSA-N 2 0 342.487 3.175 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001480295274 1392663802 /nfs/dbraw/zinc/66/38/02/1392663802.db2.gz YZVZQUSDGNDTCC-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(C)cccc1C)[NH+](C)C ZINC001480333349 1392692687 /nfs/dbraw/zinc/69/26/87/1392692687.db2.gz RMOVDPGGLBDGPP-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001480538243 1392784310 /nfs/dbraw/zinc/78/43/10/1392784310.db2.gz WCZMEDZVHMHDLJ-FUHWJXTLSA-N 2 0 333.520 3.210 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@H+](C)CCCC(C)(C)C)C2)CCC1 ZINC001480729665 1392892401 /nfs/dbraw/zinc/89/24/01/1392892401.db2.gz FXMSQOACTNMNLK-KRWDZBQOSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001480814085 1392951582 /nfs/dbraw/zinc/95/15/82/1392951582.db2.gz SUJFVCWXQKQVJH-MSOLQXFVSA-N 2 0 331.504 3.108 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480920478 1393020747 /nfs/dbraw/zinc/02/07/47/1393020747.db2.gz QXAFPLZWAPUZMQ-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cc(C)cc(C)c1 ZINC001481019398 1393095255 /nfs/dbraw/zinc/09/52/55/1393095255.db2.gz RAMSPTHHFZUHNV-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001481273279 1393156298 /nfs/dbraw/zinc/15/62/98/1393156298.db2.gz QQOBYFHFVHQGFV-KRWDZBQOSA-N 2 0 345.531 3.261 20 0 EGADRP CCC(CC)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001481370227 1394210377 /nfs/dbraw/zinc/21/03/77/1394210377.db2.gz ZJOBSWXSPBODAG-UXHICEINSA-N 2 0 345.531 3.354 20 0 EGADRP CCCc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001481538704 1394399357 /nfs/dbraw/zinc/39/93/57/1394399357.db2.gz FUGUGAGNBJWDBI-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[C@H]([NH2+]C/C=C\Cl)CC2)c1 ZINC001482026202 1394684804 /nfs/dbraw/zinc/68/48/04/1394684804.db2.gz UFCZSYUPDNGWCC-BJAQACFLSA-N 2 0 349.906 3.131 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c(C)c1 ZINC001483909542 1395140311 /nfs/dbraw/zinc/14/03/11/1395140311.db2.gz SYVLDDDBWCADTH-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@](C)(C[NH2+]CC3CCCCC3)C2)CC1 ZINC001484119055 1395261497 /nfs/dbraw/zinc/26/14/97/1395261497.db2.gz KELVKSZYSGVRBS-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001484136967 1395273762 /nfs/dbraw/zinc/27/37/62/1395273762.db2.gz IFNCDXNSIMNABI-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C(=O)NCC1(C)CC[NH+](C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001484138901 1395275393 /nfs/dbraw/zinc/27/53/93/1395275393.db2.gz QZIVXHYCKLYCMM-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCC1)C2)[NH+](C)C ZINC001484875325 1395578740 /nfs/dbraw/zinc/57/87/40/1395578740.db2.gz APVHIFDVNFPBJC-HXUWFJFHSA-N 2 0 343.515 3.005 20 0 EGADRP CCCC[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485467091 1395941838 /nfs/dbraw/zinc/94/18/38/1395941838.db2.gz ZRAOMLVNSBEIBO-MOPGFXCFSA-N 2 0 335.536 3.236 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001485960460 1396173988 /nfs/dbraw/zinc/17/39/88/1396173988.db2.gz GYTYAVKCWLVMPS-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001485959728 1396174027 /nfs/dbraw/zinc/17/40/27/1396174027.db2.gz STZLXUKUZXWJFW-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001486082792 1396175839 /nfs/dbraw/zinc/17/58/39/1396175839.db2.gz HCBKJYGYEKNYEP-HNAYVOBHSA-N 2 0 342.487 3.272 20 0 EGADRP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCCCCC1 ZINC001503646046 1396261565 /nfs/dbraw/zinc/26/15/65/1396261565.db2.gz WRRNHDLNXHNFFX-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001498116079 1396921669 /nfs/dbraw/zinc/92/16/69/1396921669.db2.gz ZNESCOHFYDKUPB-YRNRMSPPSA-N 2 0 341.499 3.335 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001690300269 1404459082 /nfs/dbraw/zinc/45/90/82/1404459082.db2.gz VUHPTDSUEZRPEF-MUGJNUQGSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001690391623 1404531466 /nfs/dbraw/zinc/53/14/66/1404531466.db2.gz FGSLTQDPSVTMPP-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001690428962 1404555021 /nfs/dbraw/zinc/55/50/21/1404555021.db2.gz HEWOVDULHTXFPW-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814863 1404749863 /nfs/dbraw/zinc/74/98/63/1404749863.db2.gz MSLDTXAAKJZESP-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690824392 1404760423 /nfs/dbraw/zinc/76/04/23/1404760423.db2.gz CJKUKVYDEYIVQP-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001690971875 1404878973 /nfs/dbraw/zinc/87/89/73/1404878973.db2.gz DMRMSYDMWQXPHW-QGZVFWFLSA-N 2 0 345.531 3.261 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H](C)c1cccc(C)c1 ZINC001691020231 1404933945 /nfs/dbraw/zinc/93/39/45/1404933945.db2.gz PZSPJBYYMQUMKV-QUCCMNQESA-N 2 0 345.531 3.367 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(CC)cc2)C1 ZINC001698572309 1406177304 /nfs/dbraw/zinc/17/73/04/1406177304.db2.gz DZVFODNPVZQPHY-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001732027842 1428246619 /nfs/dbraw/zinc/24/66/19/1428246619.db2.gz ZOWRXKMLQUUBPI-HXUWFJFHSA-N 2 0 339.483 3.219 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCCCCC1 ZINC001732216418 1428463973 /nfs/dbraw/zinc/46/39/73/1428463973.db2.gz CGGJFCASGDTKSQ-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001732280791 1428512474 /nfs/dbraw/zinc/51/24/74/1428512474.db2.gz DOAOTSMHDNUXOH-RTBURBONSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[NH+]1CCC(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001732322710 1428531902 /nfs/dbraw/zinc/53/19/02/1428531902.db2.gz ZOTQVBDQWQMCCV-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001732359598 1428547603 /nfs/dbraw/zinc/54/76/03/1428547603.db2.gz CPKQZYFUHOAKPV-WMZOPIPTSA-N 2 0 347.547 3.376 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001732399189 1428565526 /nfs/dbraw/zinc/56/55/26/1428565526.db2.gz XIKLMBSRYWKOSD-ZWKOTPCHSA-N 2 0 343.515 3.026 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001699380312 1412688633 /nfs/dbraw/zinc/68/86/33/1412688633.db2.gz INDNBHLJAIOPTB-GUXCAODWSA-N 2 0 341.499 3.335 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702064 1413115748 /nfs/dbraw/zinc/11/57/48/1413115748.db2.gz QDLRDDJAUIUDKK-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827397 1413255339 /nfs/dbraw/zinc/25/53/39/1413255339.db2.gz WOCFBJPIMCBKMR-HXUWFJFHSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001699873317 1413325644 /nfs/dbraw/zinc/32/56/44/1413325644.db2.gz KUAUEYVEIJCBNG-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001700103479 1413521717 /nfs/dbraw/zinc/52/17/17/1413521717.db2.gz AUCQMGIZPPVIQH-MXVIHJGJSA-N 2 0 349.563 3.317 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001700132446 1413549232 /nfs/dbraw/zinc/54/92/32/1413549232.db2.gz APDAORCWYIDWDN-SFHVURJKSA-N 2 0 347.547 3.070 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC2)cc1 ZINC001700138074 1413556857 /nfs/dbraw/zinc/55/68/57/1413556857.db2.gz FXMOAVQOKTUKPD-UHFFFAOYSA-N 2 0 345.531 3.101 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001700555197 1414225028 /nfs/dbraw/zinc/22/50/28/1414225028.db2.gz PKRNGKVMNSTFGR-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001700756178 1414427392 /nfs/dbraw/zinc/42/73/92/1414427392.db2.gz BTNYDFBIWKQCJC-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001700880438 1414536345 /nfs/dbraw/zinc/53/63/45/1414536345.db2.gz MKFVDZPXDCSRKN-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001732632394 1428894665 /nfs/dbraw/zinc/89/46/65/1428894665.db2.gz XBBSGRGCHNRSEF-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001732701142 1428916513 /nfs/dbraw/zinc/91/65/13/1428916513.db2.gz FRHJBIZEXPSVQT-QAPCUYQASA-N 2 0 349.494 3.246 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCCC1CCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001707062174 1417178031 /nfs/dbraw/zinc/17/80/31/1417178031.db2.gz LKEYVMBDIRMXSA-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001733055197 1429198210 /nfs/dbraw/zinc/19/82/10/1429198210.db2.gz UITGOCOQVSUCTB-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+](CCC3CC3)C2)CCCCC1 ZINC001713217924 1417796708 /nfs/dbraw/zinc/79/67/08/1417796708.db2.gz LGVSQNXIPQMSJV-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001713279874 1417906207 /nfs/dbraw/zinc/90/62/07/1417906207.db2.gz VPCIARVKXLWSOU-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001713291660 1417919615 /nfs/dbraw/zinc/91/96/15/1417919615.db2.gz TZTFBPUYKPHYPG-IPJUCJBFSA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001713399499 1418019870 /nfs/dbraw/zinc/01/98/70/1418019870.db2.gz NZQDZWMSUWORTF-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCc1ccccc1C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001713469722 1418136022 /nfs/dbraw/zinc/13/60/22/1418136022.db2.gz XCERCJOREAMFHR-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001713758988 1418564944 /nfs/dbraw/zinc/56/49/44/1418564944.db2.gz IKCROSIWXNOAOF-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccc(C[N@@H+](C)CC2CCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001713765889 1418579231 /nfs/dbraw/zinc/57/92/31/1418579231.db2.gz FSMNUKMOOMQFHS-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001713896478 1418694185 /nfs/dbraw/zinc/69/41/85/1418694185.db2.gz CPVWFKNBQRMIQY-HXUWFJFHSA-N 2 0 345.531 3.007 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C2)cc1 ZINC001714020792 1418803111 /nfs/dbraw/zinc/80/31/11/1418803111.db2.gz KFDUCYZVGNEDRI-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001714091404 1418885284 /nfs/dbraw/zinc/88/52/84/1418885284.db2.gz HJMUJDPAHUEXCO-HXUWFJFHSA-N 2 0 345.531 3.055 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001714124991 1418929172 /nfs/dbraw/zinc/92/91/72/1418929172.db2.gz LMIWGADTGZENCR-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(C)c(C)c2)CCCC1)[NH+](C)C ZINC001714141361 1418944125 /nfs/dbraw/zinc/94/41/25/1418944125.db2.gz QRJHETCOJNQDRX-IBGZPJMESA-N 2 0 345.531 3.162 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714155093 1418964345 /nfs/dbraw/zinc/96/43/45/1418964345.db2.gz DAZMPAAQRBWJNI-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@H](CC)C1 ZINC001733196972 1429299254 /nfs/dbraw/zinc/29/92/54/1429299254.db2.gz HCRZXNVXGILKQQ-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CC1CC(C[NH+]2CCC(CCNC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001714331687 1419111477 /nfs/dbraw/zinc/11/14/77/1419111477.db2.gz DLWSDQQJFSZBHO-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714651112 1419428205 /nfs/dbraw/zinc/42/82/05/1419428205.db2.gz VEADJSZODAPOHW-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1ccccc1 ZINC001714659315 1419443012 /nfs/dbraw/zinc/44/30/12/1419443012.db2.gz SFVRMKYCUJCYQC-HXUWFJFHSA-N 2 0 345.531 3.278 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714762016 1419498243 /nfs/dbraw/zinc/49/82/43/1419498243.db2.gz BMSJVCOEGPCYFG-ICSRJNTNSA-N 2 0 345.531 3.367 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714900736 1419641744 /nfs/dbraw/zinc/64/17/44/1419641744.db2.gz VPAQIPIPJZALOT-DLBZAZTESA-N 2 0 349.494 3.009 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001714912358 1419659392 /nfs/dbraw/zinc/65/93/92/1419659392.db2.gz GZEDTKHENGCNDE-SFHVURJKSA-N 2 0 345.531 3.260 20 0 EGADRP Cc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001715014609 1419743443 /nfs/dbraw/zinc/74/34/43/1419743443.db2.gz ALLABKGDUHKVFR-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001715039872 1419777524 /nfs/dbraw/zinc/77/75/24/1419777524.db2.gz PBNHCTBPZJQHLA-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001715045819 1419786417 /nfs/dbraw/zinc/78/64/17/1419786417.db2.gz LDQODWDFFVLDCK-QUCCMNQESA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001715270501 1419986766 /nfs/dbraw/zinc/98/67/66/1419986766.db2.gz FLBPJIUGLAOPGJ-PXNSSMCTSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH2+]CC3CCC3)CCCC2)cc1 ZINC001715308807 1420017684 /nfs/dbraw/zinc/01/76/84/1420017684.db2.gz YTQUFASAPWOWIP-UHFFFAOYSA-N 2 0 343.515 3.181 20 0 EGADRP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001715369773 1420066318 /nfs/dbraw/zinc/06/63/18/1420066318.db2.gz RHNKQUOGJFZUQH-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001715457573 1420138867 /nfs/dbraw/zinc/13/88/67/1420138867.db2.gz HMSARKUCTRQFQB-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c1 ZINC001715492462 1420174132 /nfs/dbraw/zinc/17/41/32/1420174132.db2.gz QBWHLFPTZVLMGG-HXUWFJFHSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C[N@H+](C)C1CCC1 ZINC001715656112 1420280963 /nfs/dbraw/zinc/28/09/63/1420280963.db2.gz OLBFPVVPLRFFPB-OXQOHEQNSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCCc2ccc(F)cc21)NC(=O)CCC[NH+](C)C ZINC001715678836 1420291279 /nfs/dbraw/zinc/29/12/79/1420291279.db2.gz LBXFAXNYQQOBTM-BEFAXECRSA-N 2 0 349.494 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1CCCC1 ZINC001715956507 1420422402 /nfs/dbraw/zinc/42/24/02/1420422402.db2.gz AERLZOGFXLREOM-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715959156 1420425647 /nfs/dbraw/zinc/42/56/47/1420425647.db2.gz UXWRGKHFJJZEGG-MOPGFXCFSA-N 2 0 339.568 3.323 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001716465368 1420678238 /nfs/dbraw/zinc/67/82/38/1420678238.db2.gz VLGCMUSORCVOPA-ROUUACIJSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001716500829 1420727382 /nfs/dbraw/zinc/72/73/82/1420727382.db2.gz KYJWLVXBLICHMK-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716502421 1420730906 /nfs/dbraw/zinc/73/09/06/1420730906.db2.gz RXLRDPVDGNLXQK-GOSISDBHSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001716684809 1420838415 /nfs/dbraw/zinc/83/84/15/1420838415.db2.gz CVFKWMGNWBRGKF-PKOBYXMFSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001716771066 1420914981 /nfs/dbraw/zinc/91/49/81/1420914981.db2.gz QXOLFJNFNZZPAS-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001716872937 1421000228 /nfs/dbraw/zinc/00/02/28/1421000228.db2.gz KHUVZFRTVITKFK-OXQOHEQNSA-N 2 0 349.494 3.057 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001717097326 1421108420 /nfs/dbraw/zinc/10/84/20/1421108420.db2.gz NLBMHCPIDUXZDE-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001717117776 1421122391 /nfs/dbraw/zinc/12/23/91/1421122391.db2.gz CHUQOTROHFGGMM-QGZVFWFLSA-N 2 0 331.504 3.238 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001717125131 1421127536 /nfs/dbraw/zinc/12/75/36/1421127536.db2.gz DVUUNNKGHUYWNI-ZULIPRJHSA-N 2 0 345.531 3.352 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2C(C)C)CCC1)[NH+](C)C ZINC001717161280 1421151482 /nfs/dbraw/zinc/15/14/82/1421151482.db2.gz XUNNHSCKLJKECS-LJQANCHMSA-N 2 0 345.531 3.279 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001717197562 1421164469 /nfs/dbraw/zinc/16/44/69/1421164469.db2.gz AVHLDRGHUWCELF-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001717216424 1421194363 /nfs/dbraw/zinc/19/43/63/1421194363.db2.gz IPHBQBBDFYGWQH-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001717337344 1421274674 /nfs/dbraw/zinc/27/46/74/1421274674.db2.gz WIFIAMDKIJSVPK-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001717337345 1421274750 /nfs/dbraw/zinc/27/47/50/1421274750.db2.gz WIFIAMDKIJSVPK-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001717338915 1421276868 /nfs/dbraw/zinc/27/68/68/1421276868.db2.gz FJEHZTGAHLANCT-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001717359393 1421294234 /nfs/dbraw/zinc/29/42/34/1421294234.db2.gz FADZDIMOOWUYPD-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCCC2)CC1 ZINC001717371274 1421310475 /nfs/dbraw/zinc/31/04/75/1421310475.db2.gz NJAGCVOOAFWEIX-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717375239 1421316891 /nfs/dbraw/zinc/31/68/91/1421316891.db2.gz ZZTWSLBXSBDOPQ-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP Cc1ccc(C)c(C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001717487924 1421425520 /nfs/dbraw/zinc/42/55/20/1421425520.db2.gz NETPFBSHSCXSIK-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)C[C@H]1C ZINC001733336401 1429521514 /nfs/dbraw/zinc/52/15/14/1429521514.db2.gz UGQDAPYWAAOXIS-AEFFLSMTSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001733331945 1429517029 /nfs/dbraw/zinc/51/70/29/1429517029.db2.gz YMEHZIAIRULUME-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001733441047 1429648911 /nfs/dbraw/zinc/64/89/11/1429648911.db2.gz MQWAAZOVQKUGCC-OXJNMPFZSA-N 2 0 349.494 3.057 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001733451246 1429663704 /nfs/dbraw/zinc/66/37/04/1429663704.db2.gz HJDZJLCORORCSQ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)CN(C)Cc2ccccc2)CC1 ZINC001733453464 1429667167 /nfs/dbraw/zinc/66/71/67/1429667167.db2.gz HXPQUWDCTFSQQK-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CCCC(C)(C)C)C1 ZINC001733461997 1429688805 /nfs/dbraw/zinc/68/88/05/1429688805.db2.gz LDRZTDGBQPRGFC-HXUWFJFHSA-N 2 0 339.568 3.373 20 0 EGADRP CC1(C)CCC(C[NH2+]C2(CNC(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC001723531544 1424454579 /nfs/dbraw/zinc/45/45/79/1424454579.db2.gz HEVVWEYOIOUPDH-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CCCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001723639389 1424502918 /nfs/dbraw/zinc/50/29/18/1424502918.db2.gz DWLYMWCEMUWJAB-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001723864313 1424592515 /nfs/dbraw/zinc/59/25/15/1424592515.db2.gz YRWDZIMAMKVQDA-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001723875927 1424594834 /nfs/dbraw/zinc/59/48/34/1424594834.db2.gz OBVWJBIFKPVQGU-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001724240647 1424751192 /nfs/dbraw/zinc/75/11/92/1424751192.db2.gz XIKLITOCUCHTCX-GHTZIAJQSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001724846779 1425199615 /nfs/dbraw/zinc/19/96/15/1425199615.db2.gz TZTZGJSRYREKGN-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001725003067 1425413062 /nfs/dbraw/zinc/41/30/62/1425413062.db2.gz NFORVTMBAWZDEI-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001725029607 1425449272 /nfs/dbraw/zinc/44/92/72/1425449272.db2.gz XURJEPANHZZCRT-KRWDZBQOSA-N 2 0 342.487 3.417 20 0 EGADRP CC(C)(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001725031323 1425451332 /nfs/dbraw/zinc/45/13/32/1425451332.db2.gz ATGZRRRDSUCRIF-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047331 1425477615 /nfs/dbraw/zinc/47/76/15/1425477615.db2.gz MGPIUGSSONGJRN-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001725468961 1426137706 /nfs/dbraw/zinc/13/77/06/1426137706.db2.gz UFRGUJABJMHTNI-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCCC(C)(C)C ZINC001725618244 1426281442 /nfs/dbraw/zinc/28/14/42/1426281442.db2.gz DZCNELIPEDTEMG-SJLPKXTDSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)C[N@H+](C)C2CCC2)C2CC2)c1 ZINC001731396883 1427353251 /nfs/dbraw/zinc/35/32/51/1427353251.db2.gz NBRSSOWSZFXVBB-OXQOHEQNSA-N 2 0 343.515 3.025 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001731506508 1427493654 /nfs/dbraw/zinc/49/36/54/1427493654.db2.gz DFOGCKJOFJSCEB-FQEVSTJZSA-N 2 0 349.563 3.271 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001731523649 1427512033 /nfs/dbraw/zinc/51/20/33/1427512033.db2.gz SQMGSZWZTTWTQJ-SFHVURJKSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731547691 1427564595 /nfs/dbraw/zinc/56/45/95/1427564595.db2.gz OWGOKMGQXBYXLV-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731558749 1427590142 /nfs/dbraw/zinc/59/01/42/1427590142.db2.gz LSCCRCGBJQJUQP-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001731628598 1427679442 /nfs/dbraw/zinc/67/94/42/1427679442.db2.gz LVKXLUXYLGKYQA-DLBZAZTESA-N 2 0 341.499 3.337 20 0 EGADRP CC(C)[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001731705957 1427758966 /nfs/dbraw/zinc/75/89/66/1427758966.db2.gz XRRZPHSXQTWMFW-FQEVSTJZSA-N 2 0 345.531 3.106 20 0 EGADRP CCc1ccccc1C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731721200 1427790515 /nfs/dbraw/zinc/79/05/15/1427790515.db2.gz RHVDEZHRNHOCQN-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001731789448 1427928492 /nfs/dbraw/zinc/92/84/92/1427928492.db2.gz HXKZHKXTPMTJIY-UHFFFAOYSA-N 2 0 345.531 3.090 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001733863887 1437692455 /nfs/dbraw/zinc/69/24/55/1437692455.db2.gz GCJNTNQIOQTUII-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001733939431 1437755512 /nfs/dbraw/zinc/75/55/12/1437755512.db2.gz BGWZKEIJHFJKKZ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC(C[N@@H+]2CCCCC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001734105432 1437891582 /nfs/dbraw/zinc/89/15/82/1437891582.db2.gz FUKHORXCKRPGIB-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001734343982 1438063657 /nfs/dbraw/zinc/06/36/57/1438063657.db2.gz NNOMZBQNRNHUMD-MSOLQXFVSA-N 2 0 347.547 3.470 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cccc(F)c1 ZINC001751974666 1440129832 /nfs/dbraw/zinc/12/98/32/1440129832.db2.gz HTSBRERHJZDTPW-VQIMIIECSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1 ZINC001752159015 1440148193 /nfs/dbraw/zinc/14/81/93/1440148193.db2.gz YIPQGEXTWNHFST-UYAOXDASSA-N 2 0 345.531 3.278 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001752190039 1440152563 /nfs/dbraw/zinc/15/25/63/1440152563.db2.gz UHWGFILNOCVHCN-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001752426772 1440177214 /nfs/dbraw/zinc/17/72/14/1440177214.db2.gz LCTBTQZUQLWVBT-GOSISDBHSA-N 2 0 347.547 3.020 20 0 EGADRP CC/C=C\CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001752784117 1440210441 /nfs/dbraw/zinc/21/04/41/1440210441.db2.gz WCPSJTVFGCBCJV-WYNBNGFRSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752785556 1440211165 /nfs/dbraw/zinc/21/11/65/1440211165.db2.gz XNHFMSQRUBQLTP-DUMMIQTOSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752800010 1440214872 /nfs/dbraw/zinc/21/48/72/1440214872.db2.gz OPZJOTHKVXWLQM-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001752813167 1440217002 /nfs/dbraw/zinc/21/70/02/1440217002.db2.gz XUXUNCAJFXBSAA-ICSRJNTNSA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752835537 1440227590 /nfs/dbraw/zinc/22/75/90/1440227590.db2.gz GHXMYIQTXNENGE-DLBZAZTESA-N 2 0 337.552 3.265 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001752880835 1440238837 /nfs/dbraw/zinc/23/88/37/1440238837.db2.gz ZHUCZJPFHIRHNF-VQIMIIECSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)c1cccc2ccccc21 ZINC001752897013 1440241863 /nfs/dbraw/zinc/24/18/63/1440241863.db2.gz QTOJQWAOHNNMTB-DLBZAZTESA-N 2 0 341.499 3.337 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001752983382 1440257498 /nfs/dbraw/zinc/25/74/98/1440257498.db2.gz JJOTWZQWWHRBOA-VQTJNVASSA-N 2 0 345.531 3.161 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001752990596 1440259408 /nfs/dbraw/zinc/25/94/08/1440259408.db2.gz HPNKDHLXSULNMH-CNUAAPAUSA-N 2 0 349.563 3.386 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001752992989 1440260451 /nfs/dbraw/zinc/26/04/51/1440260451.db2.gz YAIGZAJTACNNIA-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC(C[N@H+](C)[C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001753001045 1440264561 /nfs/dbraw/zinc/26/45/61/1440264561.db2.gz RUPZQWNFKLDBTR-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC1CCC2(CC2)CC1 ZINC001753055199 1440281181 /nfs/dbraw/zinc/28/11/81/1440281181.db2.gz KUWIFSQSXACJGT-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001753114136 1440310413 /nfs/dbraw/zinc/31/04/13/1440310413.db2.gz CMQKWGQHCJHXCP-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001753328775 1440368046 /nfs/dbraw/zinc/36/80/46/1440368046.db2.gz ZWQOZUHOADSJEF-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001753330344 1440368939 /nfs/dbraw/zinc/36/89/39/1440368939.db2.gz NAXOUKKIKAOFKN-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001753360021 1440382253 /nfs/dbraw/zinc/38/22/53/1440382253.db2.gz OGYMLLAAOQJCDE-SJORKVTESA-N 2 0 349.494 3.007 20 0 EGADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1C ZINC001753473730 1440414630 /nfs/dbraw/zinc/41/46/30/1440414630.db2.gz MPHDPAIFBBJZPE-LJQANCHMSA-N 2 0 345.531 3.244 20 0 EGADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CCCCC1 ZINC001753488724 1440418655 /nfs/dbraw/zinc/41/86/55/1440418655.db2.gz SDVNLUYHNHVSLJ-MOPGFXCFSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001753510463 1440425865 /nfs/dbraw/zinc/42/58/65/1440425865.db2.gz NYSWCOWSJSSSEC-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC1CCC(C[NH2+]CCC2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001753575050 1440439122 /nfs/dbraw/zinc/43/91/22/1440439122.db2.gz IZDBMMIVCBEWPC-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCCC3)CC2)CC1 ZINC001753585453 1440441304 /nfs/dbraw/zinc/44/13/04/1440441304.db2.gz GRBQTSCRWJMGRZ-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001753594492 1440444025 /nfs/dbraw/zinc/44/40/25/1440444025.db2.gz DIOGPXJITZUTRJ-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001753632403 1440452429 /nfs/dbraw/zinc/45/24/29/1440452429.db2.gz NIBOVWRQENCZPS-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753664243 1440459704 /nfs/dbraw/zinc/45/97/04/1440459704.db2.gz RKWQDXDGPOZCRA-LJQANCHMSA-N 2 0 347.547 3.212 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001753693857 1440467041 /nfs/dbraw/zinc/46/70/41/1440467041.db2.gz YRSBVHHNRRATOP-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1)c1ccc(F)cc1 ZINC001753695902 1440467517 /nfs/dbraw/zinc/46/75/17/1440467517.db2.gz AKDNEGOKUDZPAA-KXBFYZLASA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001753702133 1440468801 /nfs/dbraw/zinc/46/88/01/1440468801.db2.gz UUJIMLZKROUDGO-AZUAARDMSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)N(C)C(=O)CC[NH+](C)C ZINC001753710149 1440470483 /nfs/dbraw/zinc/47/04/83/1440470483.db2.gz ANQUOHSTLKYQSE-IRXDYDNUSA-N 2 0 341.499 3.289 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001753729593 1440475365 /nfs/dbraw/zinc/47/53/65/1440475365.db2.gz NXIZURIJJXIFNP-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@H](F)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001753737191 1440477990 /nfs/dbraw/zinc/47/79/90/1440477990.db2.gz VGEAVZYHDGRDTI-JKSUJKDBSA-N 2 0 348.466 3.125 20 0 EGADRP CC(C)C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753738354 1440478260 /nfs/dbraw/zinc/47/82/60/1440478260.db2.gz HCKSWGRJYVPAAS-IBGZPJMESA-N 2 0 349.563 3.482 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001753745344 1440480788 /nfs/dbraw/zinc/48/07/88/1440480788.db2.gz UVKHKIADDNQJAW-PMACEKPBSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)CCC(C)(C)C ZINC001753818594 1440494933 /nfs/dbraw/zinc/49/49/33/1440494933.db2.gz WLLHRMDMBIGFMK-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001753823840 1440497449 /nfs/dbraw/zinc/49/74/49/1440497449.db2.gz PKKVUTHYIQXOHY-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753892039 1440522250 /nfs/dbraw/zinc/52/22/50/1440522250.db2.gz SLKNDCMYQXEAGP-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754045546 1440535028 /nfs/dbraw/zinc/53/50/28/1440535028.db2.gz SPZJFBWCRADLHF-HKUYNNGSSA-N 2 0 331.504 3.059 20 0 EGADRP CCN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754063726 1440537133 /nfs/dbraw/zinc/53/71/33/1440537133.db2.gz RHNFEBBYYGSPQQ-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCN(CC[NH2+]CCC1CCCCC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001754083866 1440539801 /nfs/dbraw/zinc/53/98/01/1440539801.db2.gz CPIBSTCQUGLWKF-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001754173351 1440547292 /nfs/dbraw/zinc/54/72/92/1440547292.db2.gz LUVWEBAJKQYZDS-JNXQLMTMSA-N 2 0 349.906 3.005 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CCC(C)CC2)CC1 ZINC001754191924 1440549227 /nfs/dbraw/zinc/54/92/27/1440549227.db2.gz TYXNSTMSPVODJG-PLNGDYQASA-N 2 0 349.563 3.195 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001754313471 1440574409 /nfs/dbraw/zinc/57/44/09/1440574409.db2.gz WVWXZTRWPKXICV-BEFAXECRSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001754335428 1440586237 /nfs/dbraw/zinc/58/62/37/1440586237.db2.gz COTSSBHQXDARNP-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001754407759 1440595906 /nfs/dbraw/zinc/59/59/06/1440595906.db2.gz KZTOUUOKEGHBDJ-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1CC ZINC001754466556 1440604391 /nfs/dbraw/zinc/60/43/91/1440604391.db2.gz GEJOWXHKHWGPJE-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001754515901 1440618555 /nfs/dbraw/zinc/61/85/55/1440618555.db2.gz GIPJRALBTJTBKO-MSOLQXFVSA-N 2 0 343.515 3.169 20 0 EGADRP CC[C@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001754549708 1440629652 /nfs/dbraw/zinc/62/96/52/1440629652.db2.gz QHYMUPVMORDZPR-KRWDZBQOSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1)[NH+](CC)CC ZINC001754616705 1440644633 /nfs/dbraw/zinc/64/46/33/1440644633.db2.gz NNSDDVDOSOEAOU-OALUTQOASA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001754622093 1440645482 /nfs/dbraw/zinc/64/54/82/1440645482.db2.gz FDDMJMLWSZLEMD-FQEVSTJZSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CC2CCC(C)CC2)CC1 ZINC001754630374 1440647558 /nfs/dbraw/zinc/64/75/58/1440647558.db2.gz FJQIKDKXVFZSJV-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754702107 1440668080 /nfs/dbraw/zinc/66/80/80/1440668080.db2.gz NLFXHCJJXWZQTJ-FQEVSTJZSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1)C1CCC1 ZINC001754718227 1440672172 /nfs/dbraw/zinc/67/21/72/1440672172.db2.gz UKLWTFRMWADSQQ-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001754733553 1440681199 /nfs/dbraw/zinc/68/11/99/1440681199.db2.gz MZQBFLRNHMDPMW-PZJWPPBQSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001754733916 1440681325 /nfs/dbraw/zinc/68/13/25/1440681325.db2.gz QNZVQPRRCQMITB-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001754733721 1440681376 /nfs/dbraw/zinc/68/13/76/1440681376.db2.gz OJGAMBRSFUXVFW-ABDUDLSGSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754796074 1440689376 /nfs/dbraw/zinc/68/93/76/1440689376.db2.gz XDKVAYPMXIFYFP-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001754831053 1440695182 /nfs/dbraw/zinc/69/51/82/1440695182.db2.gz MMYZEQNXFOAKHV-AKHDSKFASA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001754831929 1440695773 /nfs/dbraw/zinc/69/57/73/1440695773.db2.gz VDUBBBCCYLTDFG-FNLKRUPLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001754838651 1440697346 /nfs/dbraw/zinc/69/73/46/1440697346.db2.gz MCLXYXFVXLSFBK-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754920848 1440709316 /nfs/dbraw/zinc/70/93/16/1440709316.db2.gz JVSRBFIAAKATOS-RTLBZRNLSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001754980371 1440721167 /nfs/dbraw/zinc/72/11/67/1440721167.db2.gz AAPVQOQYWZONLH-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC001754988859 1440723677 /nfs/dbraw/zinc/72/36/77/1440723677.db2.gz NOOZTTXCOBHIMB-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC001754989115 1440723699 /nfs/dbraw/zinc/72/36/99/1440723699.db2.gz XDDJYBGACSCQKU-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP C[N@H+](CCC(=O)NCC1([NH2+]CC2CCC2)CCC1)C1CCCCC1 ZINC001754989866 1440723904 /nfs/dbraw/zinc/72/39/04/1440723904.db2.gz XXBDTDFUWOJWGI-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001755029919 1440730736 /nfs/dbraw/zinc/73/07/36/1440730736.db2.gz SPUGJFPIXOHSSW-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001755031301 1440731700 /nfs/dbraw/zinc/73/17/00/1440731700.db2.gz OOACDUVOPXBSJL-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001755043324 1440738762 /nfs/dbraw/zinc/73/87/62/1440738762.db2.gz RWZGIUNIKPIHOK-IRXDYDNUSA-N 2 0 349.494 3.009 20 0 EGADRP CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001755047098 1440741854 /nfs/dbraw/zinc/74/18/54/1440741854.db2.gz FINNFHDZZPHKLA-BGYRXZFFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001755071798 1440746868 /nfs/dbraw/zinc/74/68/68/1440746868.db2.gz GZXSCODNNXNUII-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C ZINC001755143396 1440762024 /nfs/dbraw/zinc/76/20/24/1440762024.db2.gz YHTZLHXDZJTDKE-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208792 1440782531 /nfs/dbraw/zinc/78/25/31/1440782531.db2.gz AZPNFAULMLHEJR-LPHOPBHVSA-N 2 0 349.494 3.033 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001755262498 1440794883 /nfs/dbraw/zinc/79/48/83/1440794883.db2.gz KXVLYWHUBOQXSS-IAGOWNOFSA-N 2 0 341.499 3.164 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001755350842 1440827841 /nfs/dbraw/zinc/82/78/41/1440827841.db2.gz IOKDORGHOGGAIA-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001755352847 1440828371 /nfs/dbraw/zinc/82/83/71/1440828371.db2.gz PBLYTLIMRVDPSJ-RBUKOAKNSA-N 2 0 347.547 3.212 20 0 EGADRP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001755366335 1440834556 /nfs/dbraw/zinc/83/45/56/1440834556.db2.gz PJWCIXUMOIMCJZ-IBGZPJMESA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001755367717 1440835689 /nfs/dbraw/zinc/83/56/89/1440835689.db2.gz JCFKOMVXDNKGMB-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001755367670 1440835711 /nfs/dbraw/zinc/83/57/11/1440835711.db2.gz HTTKOTBHCGKXSR-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001755451127 1440853539 /nfs/dbraw/zinc/85/35/39/1440853539.db2.gz BFMVLXBJTPTNEH-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001755473594 1440859150 /nfs/dbraw/zinc/85/91/50/1440859150.db2.gz SXQOJUWBQJCLBJ-UFYCRDLUSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC001755590077 1440881324 /nfs/dbraw/zinc/88/13/24/1440881324.db2.gz HHJUMHYAAIVUIG-KRWDZBQOSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@@H](CN(C)C(=O)c1sccc1C[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001755589947 1440881329 /nfs/dbraw/zinc/88/13/29/1440881329.db2.gz DQBMYKBLXQLEBM-HNNXBMFYSA-N 2 0 349.544 3.360 20 0 EGADRP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001755593285 1440881980 /nfs/dbraw/zinc/88/19/80/1440881980.db2.gz VALMOIKUZAURHS-MSOLQXFVSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)cc1 ZINC001755658726 1440892422 /nfs/dbraw/zinc/89/24/22/1440892422.db2.gz KKMBPWOLZOSCRK-YLJYHZDGSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C/C=C/c2ccccc2)[C@@H]1C ZINC001755722032 1440907930 /nfs/dbraw/zinc/90/79/30/1440907930.db2.gz DTYABLGVSFPGMT-MRDYICJFSA-N 2 0 343.515 3.009 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001755724491 1440908795 /nfs/dbraw/zinc/90/87/95/1440908795.db2.gz VXRRLKPDJQVLFY-DSQZMVHQSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C(C)(C)C1 ZINC001755765102 1440915943 /nfs/dbraw/zinc/91/59/43/1440915943.db2.gz INZXNLUBLJQWCM-IEBWSBKVSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2)C(C)(C)C1 ZINC001755765456 1440916055 /nfs/dbraw/zinc/91/60/55/1440916055.db2.gz PMAMHVGAMYXWGL-IEBWSBKVSA-N 2 0 345.531 3.306 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC001755774534 1440917087 /nfs/dbraw/zinc/91/70/87/1440917087.db2.gz MWYHOHQJNKCAKE-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001755809510 1440919163 /nfs/dbraw/zinc/91/91/63/1440919163.db2.gz SCXKSNZTQSOOJP-ICSRJNTNSA-N 2 0 345.531 3.319 20 0 EGADRP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755814874 1440922953 /nfs/dbraw/zinc/92/29/53/1440922953.db2.gz ROAPPUMZJSBFMQ-LJQANCHMSA-N 2 0 337.552 3.386 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001755837100 1440930664 /nfs/dbraw/zinc/93/06/64/1440930664.db2.gz IXFNMCDYTLVFFV-IEBWSBKVSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001755861605 1440936921 /nfs/dbraw/zinc/93/69/21/1440936921.db2.gz CBINLIPOTQIUJH-AOCRQIFASA-N 2 0 339.568 3.226 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)c2ccccc2)CC1 ZINC000052209350 214122275 /nfs/dbraw/zinc/12/22/75/214122275.db2.gz WVYAAVRMHIJCGT-UHFFFAOYSA-N 2 0 331.504 3.093 20 0 EGADRP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187297784 529893833 /nfs/dbraw/zinc/89/38/33/529893833.db2.gz UPBVIBMNZGZYIG-RTWAWAEBSA-N 2 0 330.516 3.275 20 0 EGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635915 232323636 /nfs/dbraw/zinc/32/36/36/232323636.db2.gz MZXOYFWUCLUXBW-FQEVSTJZSA-N 2 0 338.499 3.299 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC[N@@H+]1C ZINC000181596079 234246677 /nfs/dbraw/zinc/24/66/77/234246677.db2.gz NEVVVPLGVOHRKL-XJKSGUPXSA-N 2 0 330.394 3.338 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000361077379 283188981 /nfs/dbraw/zinc/18/89/81/283188981.db2.gz AZBPZTNHRJTUEP-WOJBJXKFSA-N 2 0 343.515 3.036 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000352140955 283551876 /nfs/dbraw/zinc/55/18/76/283551876.db2.gz PHCJPQFDTUQDDB-RTBURBONSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000415015232 309114472 /nfs/dbraw/zinc/11/44/72/309114472.db2.gz NSQUFETUGNXALE-LLVKDONJSA-N 2 0 342.274 3.181 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1)C(C)C ZINC000262584316 245046147 /nfs/dbraw/zinc/04/61/47/245046147.db2.gz NOKXWITYCPKFGU-QFBILLFUSA-N 2 0 331.504 3.116 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000263261071 245374521 /nfs/dbraw/zinc/37/45/21/245374521.db2.gz MKNGJKAPSFMMOJ-JXFKEZNVSA-N 2 0 339.483 3.091 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000376063936 168863178 /nfs/dbraw/zinc/86/31/78/168863178.db2.gz AVUOYBAJTNYKDJ-VCWRXUFXSA-N 2 0 349.563 3.014 20 0 EGADRP C[C@H](O)c1ncc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000377540472 169038609 /nfs/dbraw/zinc/03/86/09/169038609.db2.gz JRCCXTLKKXAGBJ-OWCLPIDISA-N 2 0 337.533 3.283 20 0 EGADRP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253889 218130912 /nfs/dbraw/zinc/13/09/12/218130912.db2.gz UPWVNMGZOXPNHE-KRWDZBQOSA-N 2 0 326.444 3.043 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262243494 296314373 /nfs/dbraw/zinc/31/43/73/296314373.db2.gz BZGGJRBUNWLRQW-FUHIMQAGSA-N 2 0 343.515 3.195 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000268789869 252239359 /nfs/dbraw/zinc/23/93/59/252239359.db2.gz XIQJMEDWPHWPQL-HNAYVOBHSA-N 2 0 329.513 3.494 20 0 EGADRP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000268789862 252240706 /nfs/dbraw/zinc/24/07/06/252240706.db2.gz XIQJMEDWPHWPQL-BEFAXECRSA-N 2 0 329.513 3.494 20 0 EGADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268815490 252267711 /nfs/dbraw/zinc/26/77/11/252267711.db2.gz MDVSGSIKKKMMGU-MISYRCLQSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000268829816 252278556 /nfs/dbraw/zinc/27/85/56/252278556.db2.gz SAIQJEYHCOITHD-MRXNPFEDSA-N 2 0 330.501 3.006 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCc4ccccc43)ccn2)CC1 ZINC000112528847 220342619 /nfs/dbraw/zinc/34/26/19/220342619.db2.gz GVYFRRRIOBYFBZ-HXUWFJFHSA-N 2 0 336.483 3.001 20 0 EGADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154906240 533179115 /nfs/dbraw/zinc/17/91/15/533179115.db2.gz COTKVYKMANKRTN-NQIIRXRSSA-N 2 0 347.547 3.398 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000153760249 224154445 /nfs/dbraw/zinc/15/44/45/224154445.db2.gz CQQUSNMUXJARPI-LSDHHAIUSA-N 2 0 335.517 3.346 20 0 EGADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868213 221199194 /nfs/dbraw/zinc/19/91/94/221199194.db2.gz DBOCDVNXWOKOLM-UHFFFAOYSA-N 2 0 349.544 3.401 20 0 EGADRP CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000164570280 533604739 /nfs/dbraw/zinc/60/47/39/533604739.db2.gz MVENRRFLNLEQHO-WMLDXEAASA-N 2 0 335.517 3.080 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000246949634 141045939 /nfs/dbraw/zinc/04/59/39/141045939.db2.gz IHHZIVGMRXUTIC-DZGCQCFKSA-N 2 0 342.430 3.159 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338022377 141075317 /nfs/dbraw/zinc/07/53/17/141075317.db2.gz MLCKYPJPOWJJMZ-AJYBTWMASA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338045916 141080297 /nfs/dbraw/zinc/08/02/97/141080297.db2.gz SNDBCQAIDBKPIP-ILOCAZANSA-N 2 0 337.552 3.120 20 0 EGADRP OC1CC[NH+](CCC[NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000347900269 141212210 /nfs/dbraw/zinc/21/22/10/141212210.db2.gz JFARHYROHPPIAC-UHFFFAOYSA-N 2 0 330.516 3.397 20 0 EGADRP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347971598 141226192 /nfs/dbraw/zinc/22/61/92/141226192.db2.gz XYUFCUMNRNHOHF-IHPCNDPISA-N 2 0 341.499 3.383 20 0 EGADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OC(F)F ZINC000353439092 141295118 /nfs/dbraw/zinc/29/51/18/141295118.db2.gz HPLGZAGXKWAZBY-UHFFFAOYSA-N 2 0 328.403 3.259 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000356269690 141332449 /nfs/dbraw/zinc/33/24/49/141332449.db2.gz ADZIJLINUCPGNN-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC1 ZINC000343217944 144195800 /nfs/dbraw/zinc/19/58/00/144195800.db2.gz BSKWWMICAXASOU-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000344695888 144211244 /nfs/dbraw/zinc/21/12/44/144211244.db2.gz GHZHELYVFMJQTH-FQEVSTJZSA-N 2 0 346.515 3.074 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000347032579 144251541 /nfs/dbraw/zinc/25/15/41/144251541.db2.gz ATUJOVXZQTXPSD-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000351730176 144298192 /nfs/dbraw/zinc/29/81/92/144298192.db2.gz LULUTNJRJRJUOJ-SFHVURJKSA-N 2 0 334.423 3.135 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000363786150 144366603 /nfs/dbraw/zinc/36/66/03/144366603.db2.gz QBAUVZMENPGTPI-KXBFYZLASA-N 2 0 337.458 3.174 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000341423311 155284524 /nfs/dbraw/zinc/28/45/24/155284524.db2.gz VFFXTFRKVDVSKD-WOJBJXKFSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341492952 155321298 /nfs/dbraw/zinc/32/12/98/155321298.db2.gz FMNDDQVLLBROEX-LJQANCHMSA-N 2 0 344.547 3.290 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120888647 152307746 /nfs/dbraw/zinc/30/77/46/152307746.db2.gz WVPVVGPNEYSQDO-SJORKVTESA-N 2 0 335.561 3.333 20 0 EGADRP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000121151589 152329562 /nfs/dbraw/zinc/32/95/62/152329562.db2.gz CUNRYKLPVLUAFD-RLLQIKCJSA-N 2 0 337.467 3.021 20 0 EGADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000121354065 152345759 /nfs/dbraw/zinc/34/57/59/152345759.db2.gz BFFHTMYTSQIIGE-ROUUACIJSA-N 2 0 333.520 3.010 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188753994 153032928 /nfs/dbraw/zinc/03/29/28/153032928.db2.gz JMDYMNQPLZFUEM-UHFFFAOYSA-N 2 0 349.434 3.028 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000193308747 153286727 /nfs/dbraw/zinc/28/67/27/153286727.db2.gz JUYCMHHWURLCDW-VTHDOGFWSA-N 2 0 327.516 3.112 20 0 EGADRP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000193461452 153292770 /nfs/dbraw/zinc/29/27/70/153292770.db2.gz GVLNHGRVGGGQTG-SFHVURJKSA-N 2 0 329.488 3.213 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000194066334 153320581 /nfs/dbraw/zinc/32/05/81/153320581.db2.gz GRUXTGRPSZKFPS-VBSBHUPXSA-N 2 0 328.500 3.444 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000262007846 153764770 /nfs/dbraw/zinc/76/47/70/153764770.db2.gz SFEIJXRHTXVDOD-NVXWUHKLSA-N 2 0 349.544 3.122 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000263012240 153886076 /nfs/dbraw/zinc/88/60/76/153886076.db2.gz PXQZDUBWLLXYAV-AZUAARDMSA-N 2 0 329.488 3.171 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000303182314 154039005 /nfs/dbraw/zinc/03/90/05/154039005.db2.gz KWAJSIHOUMEQGC-GGPKGHCWSA-N 2 0 345.531 3.164 20 0 EGADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311151747 154146684 /nfs/dbraw/zinc/14/66/84/154146684.db2.gz NIWGQPPFKXFFDF-AZUAARDMSA-N 2 0 338.499 3.299 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336693948 154209191 /nfs/dbraw/zinc/20/91/91/154209191.db2.gz IBZNBHLBTWEJPH-WOJBJXKFSA-N 2 0 326.488 3.019 20 0 EGADRP FC(F)(F)OCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000336655089 154209625 /nfs/dbraw/zinc/20/96/25/154209625.db2.gz FNNLOKXFDBXKDA-ARFHVFGLSA-N 2 0 328.378 3.023 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000337403359 154334563 /nfs/dbraw/zinc/33/45/63/154334563.db2.gz RYYSZDQHUFFUBW-RYQLBKOJSA-N 2 0 332.488 3.160 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000338172438 154614892 /nfs/dbraw/zinc/61/48/92/154614892.db2.gz CHTALHWDBOKYSC-IBGZPJMESA-N 2 0 333.520 3.235 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000339949359 155046875 /nfs/dbraw/zinc/04/68/75/155046875.db2.gz ALWPMUNPIVEXDR-INIZCTEOSA-N 2 0 348.450 3.290 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C[C@@H]21 ZINC000346818051 156151438 /nfs/dbraw/zinc/15/14/38/156151438.db2.gz AILZHJNAUOFUKA-VNHYZAJKSA-N 2 0 346.368 3.326 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccsc1 ZINC000346829829 156155245 /nfs/dbraw/zinc/15/52/45/156155245.db2.gz YCQIYQJCDAMHGF-GOEBONIOSA-N 2 0 339.549 3.414 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000346932334 156202021 /nfs/dbraw/zinc/20/20/21/156202021.db2.gz CBVUOZDEKYHLOU-INIZCTEOSA-N 2 0 333.520 3.180 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000347006723 156242558 /nfs/dbraw/zinc/24/25/58/156242558.db2.gz CIDKDXZBVBVKKA-CYBMUJFWSA-N 2 0 332.879 3.393 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1Cl ZINC000349035151 156325747 /nfs/dbraw/zinc/32/57/47/156325747.db2.gz GWUSZRJAWIOEKB-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000349122578 156358752 /nfs/dbraw/zinc/35/87/52/156358752.db2.gz ZENPURMJMIMSKJ-IAGOWNOFSA-N 2 0 337.533 3.122 20 0 EGADRP Cc1nccn1CCCC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000368691922 157265320 /nfs/dbraw/zinc/26/53/20/157265320.db2.gz KXWWRZBOVSDIES-NRFANRHFSA-N 2 0 341.499 3.289 20 0 EGADRP Fc1cc(Br)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000093981853 162034268 /nfs/dbraw/zinc/03/42/68/162034268.db2.gz YVFKVSDLBGXDPW-LLVKDONJSA-N 2 0 327.241 3.162 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000113934000 162219164 /nfs/dbraw/zinc/21/91/64/162219164.db2.gz LQTXZHVSZFNDFV-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000123878438 162258044 /nfs/dbraw/zinc/25/80/44/162258044.db2.gz PPJHXOLNNGLQQJ-ICSRJNTNSA-N 2 0 345.531 3.278 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cn(C)nc2C)cc1 ZINC000178131211 162662502 /nfs/dbraw/zinc/66/25/02/162662502.db2.gz PPQLEJGAJXWSKK-INIZCTEOSA-N 2 0 344.503 3.300 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@@H]5OCC[C@H]54)[C@@H]3C2)cc1 ZINC000248411335 163001487 /nfs/dbraw/zinc/00/14/87/163001487.db2.gz ICQYBUFWEZXHNB-RBFKZVKLSA-N 2 0 340.511 3.444 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(F)c1F ZINC000248440382 163005020 /nfs/dbraw/zinc/00/50/20/163005020.db2.gz JKBFUFBUMZIDAX-RHSMWYFYSA-N 2 0 346.421 3.382 20 0 EGADRP C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000305048611 163073021 /nfs/dbraw/zinc/07/30/21/163073021.db2.gz BRBOYIAWGVGTBT-QGZVFWFLSA-N 2 0 347.547 3.104 20 0 EGADRP CCc1oc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1C(=O)OC ZINC000338943389 163397758 /nfs/dbraw/zinc/39/77/58/163397758.db2.gz YGKOMEKEBBRTFP-HNNXBMFYSA-N 2 0 336.476 3.373 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000343643887 164002317 /nfs/dbraw/zinc/00/23/17/164002317.db2.gz APEVGLSAVUEXQL-ZPMCFJSWSA-N 2 0 336.479 3.462 20 0 EGADRP CC[C@]1(C)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000344246272 164136174 /nfs/dbraw/zinc/13/61/74/164136174.db2.gz XCZQXYDLUBMCNM-OAQYLSRUSA-N 2 0 343.515 3.021 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+](CC)CC ZINC000345837010 164275935 /nfs/dbraw/zinc/27/59/35/164275935.db2.gz HQAAHUOLBYMIMY-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc2cccnc12 ZINC000346141061 164347700 /nfs/dbraw/zinc/34/77/00/164347700.db2.gz NURCOVVXBGEINO-UHFFFAOYSA-N 2 0 339.483 3.087 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000346184394 164359189 /nfs/dbraw/zinc/35/91/89/164359189.db2.gz TXEHKNWAZFSZPK-IBGZPJMESA-N 2 0 333.439 3.262 20 0 EGADRP Cc1ccc([C@H](CN2CCOCC2)Nc2cc[nH+]c(C)c2Cl)cc1 ZINC000350292593 165026874 /nfs/dbraw/zinc/02/68/74/165026874.db2.gz YEQFPLUYOBNFLB-SFHVURJKSA-N 2 0 345.874 3.259 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000352128094 165248260 /nfs/dbraw/zinc/24/82/60/165248260.db2.gz AVGYYCZZEPDEHU-IRXDYDNUSA-N 2 0 335.492 3.090 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000355135060 166114602 /nfs/dbraw/zinc/11/46/02/166114602.db2.gz RYFLYKGATPSPSL-ACBHZAAOSA-N 2 0 337.552 3.312 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000355411769 166189628 /nfs/dbraw/zinc/18/96/28/166189628.db2.gz QKBMRZFVGFFCKA-IRXDYDNUSA-N 2 0 329.488 3.136 20 0 EGADRP c1ccc(C[NH+]2CCN(CCC[NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000359081159 167062138 /nfs/dbraw/zinc/06/21/38/167062138.db2.gz INHLXLMKZTUCEM-HXUWFJFHSA-N 2 0 327.516 3.140 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC)[NH+](C)C ZINC000359164528 167085661 /nfs/dbraw/zinc/08/56/61/167085661.db2.gz IGNMNMKVFAZHEJ-SJORKVTESA-N 2 0 339.911 3.179 20 0 EGADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000359228179 167101156 /nfs/dbraw/zinc/10/11/56/167101156.db2.gz HCPULVPBIDMBKB-OXJNMPFZSA-N 2 0 339.483 3.061 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000361217222 167559057 /nfs/dbraw/zinc/55/90/57/167559057.db2.gz QGONFORSMLUHGC-MSOLQXFVSA-N 2 0 338.499 3.035 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224893 168096130 /nfs/dbraw/zinc/09/61/30/168096130.db2.gz ZEXQDWPURNAUJK-JBACZVJFSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000365805267 287310725 /nfs/dbraw/zinc/31/07/25/287310725.db2.gz JNNMQLNBWQEKQQ-DYESRHJHSA-N 3 0 333.564 3.494 20 0 EGADRP c1cc2c(cc1[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C1CC1)OCCO2 ZINC000166359802 226157176 /nfs/dbraw/zinc/15/71/76/226157176.db2.gz MVYIXPSPIFCIOI-QKLQHJQFSA-N 2 0 328.456 3.125 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000174173386 265030051 /nfs/dbraw/zinc/03/00/51/265030051.db2.gz JUSXRUKGYZQUSM-ZIAGYGMSSA-N 2 0 346.393 3.379 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634915 265331399 /nfs/dbraw/zinc/33/13/99/265331399.db2.gz BDGLXVHAJOKMPP-LQWHRVPQSA-N 3 0 329.532 3.217 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000236846380 266217668 /nfs/dbraw/zinc/21/76/68/266217668.db2.gz CXZUGKIMPHXILT-QGZVFWFLSA-N 2 0 332.488 3.448 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000271023771 266590625 /nfs/dbraw/zinc/59/06/25/266590625.db2.gz JTHQAUZVHGNMNR-SFHVURJKSA-N 2 0 326.431 3.052 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759421 267282746 /nfs/dbraw/zinc/28/27/46/267282746.db2.gz JQIAGIAVSNETNT-AZUAARDMSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000278499825 268025885 /nfs/dbraw/zinc/02/58/85/268025885.db2.gz QKGGHZJCLJEUIM-OAHLLOKOSA-N 2 0 330.472 3.373 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000155681272 273663209 /nfs/dbraw/zinc/66/32/09/273663209.db2.gz NZUACQRBMUJEEO-PKOBYXMFSA-N 2 0 343.515 3.049 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000154920277 274486035 /nfs/dbraw/zinc/48/60/35/274486035.db2.gz GWOQSQDTOZAUKP-CHWSQXEVSA-N 2 0 330.303 3.280 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000046737328 275138600 /nfs/dbraw/zinc/13/86/00/275138600.db2.gz YJNWMLFFLLXYJF-UHFFFAOYSA-N 2 0 346.519 3.382 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192047975 275222998 /nfs/dbraw/zinc/22/29/98/275222998.db2.gz VVBBIPRMMFUJIZ-SFHVURJKSA-N 2 0 326.488 3.344 20 0 EGADRP COCCSCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000278924575 275288093 /nfs/dbraw/zinc/28/80/93/275288093.db2.gz VJIWLSRUMRZXLK-IEBWSBKVSA-N 2 0 336.545 3.256 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000279831995 275363917 /nfs/dbraw/zinc/36/39/17/275363917.db2.gz GXFPMGOCDFMUNU-BRWVUGGUSA-N 2 0 337.939 3.448 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281335698 275541346 /nfs/dbraw/zinc/54/13/46/275541346.db2.gz UHLDKRBLARZIPP-HXUWFJFHSA-N 2 0 343.446 3.402 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000284164728 275779131 /nfs/dbraw/zinc/77/91/31/275779131.db2.gz PZGOMWKTCZWTST-INIZCTEOSA-N 2 0 329.492 3.033 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000131459116 276097493 /nfs/dbraw/zinc/09/74/93/276097493.db2.gz JDAGLEDLROUGOC-UHFFFAOYSA-N 2 0 329.488 3.141 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000287227296 276098598 /nfs/dbraw/zinc/09/85/98/276098598.db2.gz XXWFBTLMKWNUIE-JTDSTZFVSA-N 2 0 346.519 3.108 20 0 EGADRP COc1ccncc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000287238106 276099688 /nfs/dbraw/zinc/09/96/88/276099688.db2.gz JWHYZRHSSMQGDV-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP COc1ccncc1COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000287347272 276110650 /nfs/dbraw/zinc/11/06/50/276110650.db2.gz ZHLYNGPMNXMXDW-KRWDZBQOSA-N 2 0 340.423 3.046 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287610408 276139268 /nfs/dbraw/zinc/13/92/68/276139268.db2.gz JDKPAVQMAVHZAW-OAHLLOKOSA-N 2 0 327.476 3.181 20 0 EGADRP COC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845834 276162849 /nfs/dbraw/zinc/16/28/49/276162849.db2.gz WMBXPCLXFNNEDO-LRDDRELGSA-N 2 0 326.843 3.241 20 0 EGADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCCSC1)C1CC[NH+](C)CC1 ZINC000288354561 276205343 /nfs/dbraw/zinc/20/53/43/276205343.db2.gz CKVPQFVYWBRIIJ-KRWDZBQOSA-N 2 0 347.572 3.450 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000288471950 276217773 /nfs/dbraw/zinc/21/77/73/276217773.db2.gz FVENRZJGFZEVRN-HXUWFJFHSA-N 2 0 339.483 3.059 20 0 EGADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000344477570 276243194 /nfs/dbraw/zinc/24/31/94/276243194.db2.gz HGAHQFWBDBXCGC-DYESRHJHSA-N 2 0 341.499 3.341 20 0 EGADRP CCC[NH+]1CCC(CNC(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000353776365 276257190 /nfs/dbraw/zinc/25/71/90/276257190.db2.gz IQKDOKVTTBSMTE-FQEVSTJZSA-N 2 0 345.531 3.135 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000358913822 276335106 /nfs/dbraw/zinc/33/51/06/276335106.db2.gz JFKNCKANEYUHDH-IBGZPJMESA-N 2 0 326.488 3.429 20 0 EGADRP CCSc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289431175 276338080 /nfs/dbraw/zinc/33/80/80/276338080.db2.gz KQVOSOLMIVYFTQ-UHFFFAOYSA-N 2 0 347.572 3.258 20 0 EGADRP COCCOCc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000290135415 276451434 /nfs/dbraw/zinc/45/14/34/276451434.db2.gz NHCPLLBCTFTXPT-SFHVURJKSA-N 2 0 334.504 3.204 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290534298 276508237 /nfs/dbraw/zinc/50/82/37/276508237.db2.gz ZMKHGFKFSQRYHU-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000376673233 277036760 /nfs/dbraw/zinc/03/67/60/277036760.db2.gz QPIQQVRZFWTHQV-UHFFFAOYSA-N 2 0 325.456 3.248 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000360838418 278285110 /nfs/dbraw/zinc/28/51/10/278285110.db2.gz UHXQECCWHAMICF-FXAWDEMLSA-N 2 0 329.532 3.272 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000126740020 288060783 /nfs/dbraw/zinc/06/07/83/288060783.db2.gz PCLKHDHZUKLRKN-BXWFABGCSA-N 2 0 349.494 3.043 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1OC ZINC000344073366 278634471 /nfs/dbraw/zinc/63/44/71/278634471.db2.gz VNXMEWSOHKPXFO-FJIDUMEYSA-N 2 0 326.525 3.059 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000178004090 278847054 /nfs/dbraw/zinc/84/70/54/278847054.db2.gz WSTACMOQWCLLJX-GOSISDBHSA-N 2 0 333.520 3.154 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000372553168 279136425 /nfs/dbraw/zinc/13/64/25/279136425.db2.gz OGOBCTPDEKYVOU-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1)C1CC1 ZINC000122701441 279234715 /nfs/dbraw/zinc/23/47/15/279234715.db2.gz ACNZFMKVMFGCAW-UZLBHIALSA-N 2 0 343.515 3.226 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000345915436 279235314 /nfs/dbraw/zinc/23/53/14/279235314.db2.gz YMXNRKRAUDGXPE-MSOLQXFVSA-N 2 0 345.531 3.472 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000186563677 279264097 /nfs/dbraw/zinc/26/40/97/279264097.db2.gz YSNXVDGLVAFNAG-MJGOQNOKSA-N 2 0 343.515 3.049 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251007154 279377274 /nfs/dbraw/zinc/37/72/74/279377274.db2.gz SFPZHISVELAIPQ-INWMFGNUSA-N 2 0 325.294 3.487 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccc21 ZINC000338780927 279593902 /nfs/dbraw/zinc/59/39/02/279593902.db2.gz OTOOYSDIKBXZGK-MOPGFXCFSA-N 2 0 344.499 3.490 20 0 EGADRP CC(C)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182070801 279912036 /nfs/dbraw/zinc/91/20/36/279912036.db2.gz NCBVGFVRWVAWQM-KBXCAEBGSA-N 2 0 341.902 3.402 20 0 EGADRP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000344112094 280075698 /nfs/dbraw/zinc/07/56/98/280075698.db2.gz VCPCERVJKGIVNI-FQEVSTJZSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000347810602 280174279 /nfs/dbraw/zinc/17/42/79/280174279.db2.gz BARDOJIFTIZVAO-AZUAARDMSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000221900689 290048037 /nfs/dbraw/zinc/04/80/37/290048037.db2.gz DRHOZISCJCUKSI-ZOCIIQOWSA-N 2 0 344.503 3.494 20 0 EGADRP COc1ccc(CC[N@H+](CC(C)C)C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000346974176 295119339 /nfs/dbraw/zinc/11/93/39/295119339.db2.gz IOQHOLONVMKFOL-GOSISDBHSA-N 2 0 334.504 3.204 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371317352 302067119 /nfs/dbraw/zinc/06/71/19/302067119.db2.gz PRAQMZLNWRODGE-HLIPFELVSA-N 2 0 327.516 3.301 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1Cl ZINC000060161693 307350481 /nfs/dbraw/zinc/35/04/81/307350481.db2.gz JLGYCZYSWFODKO-QGZVFWFLSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000063582700 307355181 /nfs/dbraw/zinc/35/51/81/307355181.db2.gz SNRPUYAEAOCDEC-UHFFFAOYSA-N 2 0 345.531 3.408 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000090408797 307458589 /nfs/dbraw/zinc/45/85/89/307458589.db2.gz ZDMHRRHBJJEAST-DYESRHJHSA-N 2 0 329.532 3.413 20 0 EGADRP CCc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091320441 307463077 /nfs/dbraw/zinc/46/30/77/307463077.db2.gz MQFVMJOKOIYWOC-WIYYLYMNSA-N 2 0 331.548 3.419 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414081496 309059775 /nfs/dbraw/zinc/05/97/75/309059775.db2.gz FBTXXSLMAIHVIU-HKUYNNGSSA-N 2 0 336.907 3.270 20 0 EGADRP CN(c1ccccc1C[NH2+]CC1(C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000130712487 307632902 /nfs/dbraw/zinc/63/29/02/307632902.db2.gz AIAKVPXYQBILFG-UHFFFAOYSA-N 2 0 327.516 3.497 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CC[NH+](C)CC1 ZINC000414114508 309061913 /nfs/dbraw/zinc/06/19/13/309061913.db2.gz LWQPLHIOTQCJFM-AYBZRNKSSA-N 2 0 335.923 3.202 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CC[NH+](C)CC1 ZINC000414114513 309061938 /nfs/dbraw/zinc/06/19/38/309061938.db2.gz LWQPLHIOTQCJFM-SUMDDJOVSA-N 2 0 335.923 3.202 20 0 EGADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000134149475 307682379 /nfs/dbraw/zinc/68/23/79/307682379.db2.gz ZBMVUISCVUJDJH-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151878918 307740974 /nfs/dbraw/zinc/74/09/74/307740974.db2.gz CWICUSWSQQGGBR-SFHVURJKSA-N 2 0 348.531 3.466 20 0 EGADRP Cc1noc(C)c1CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000166297714 307930402 /nfs/dbraw/zinc/93/04/02/307930402.db2.gz UQBKTDYBRZEGRN-HZPDHXFCSA-N 2 0 349.519 3.045 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000246001226 307963153 /nfs/dbraw/zinc/96/31/53/307963153.db2.gz RUHPBUYXGHNVOX-OPYAIIAOSA-N 2 0 329.532 3.092 20 0 EGADRP CCc1ncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000414378215 309076486 /nfs/dbraw/zinc/07/64/86/309076486.db2.gz COTFLSXWDDMZFA-UHFFFAOYSA-N 2 0 338.499 3.383 20 0 EGADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248199421 308000391 /nfs/dbraw/zinc/00/03/91/308000391.db2.gz YDBAQBMSQNDNBK-FXAWDEMLSA-N 2 0 332.488 3.270 20 0 EGADRP C[C@@H](CCNCc1cnn(CC(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000292967086 308084920 /nfs/dbraw/zinc/08/49/20/308084920.db2.gz KVSXJLJKCKGZDI-HNNXBMFYSA-N 2 0 336.430 3.148 20 0 EGADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293034021 308092440 /nfs/dbraw/zinc/09/24/40/308092440.db2.gz AHSQTDLXANDCTF-GOSISDBHSA-N 2 0 331.504 3.284 20 0 EGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293560608 308141903 /nfs/dbraw/zinc/14/19/03/308141903.db2.gz XKMRDJUQBXWKNW-AWEZNQCLSA-N 2 0 331.504 3.348 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293602845 308145660 /nfs/dbraw/zinc/14/56/60/308145660.db2.gz GCTUSSIECLMVQM-FQEVSTJZSA-N 2 0 349.950 3.277 20 0 EGADRP COCC1(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000293629880 308147608 /nfs/dbraw/zinc/14/76/08/308147608.db2.gz GJCSQKZOWDEINW-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(Cl)c1 ZINC000293761851 308159541 /nfs/dbraw/zinc/15/95/41/308159541.db2.gz SEDUAJPZFQBXOM-ZIAGYGMSSA-N 2 0 325.884 3.153 20 0 EGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)CN1CC[NH+](C)CC1 ZINC000293765380 308159886 /nfs/dbraw/zinc/15/98/86/308159886.db2.gz PGWIOKHCQYVFFM-UZLBHIALSA-N 2 0 349.950 3.134 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293820220 308165295 /nfs/dbraw/zinc/16/52/95/308165295.db2.gz BHKZBQIRGJBARG-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP Fc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(F)cn1 ZINC000294944204 308274627 /nfs/dbraw/zinc/27/46/27/308274627.db2.gz DZXQBZLPKJVZNJ-UHFFFAOYSA-N 2 0 337.439 3.423 20 0 EGADRP Cc1cnccc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000294958150 308276202 /nfs/dbraw/zinc/27/62/02/308276202.db2.gz FSKONCAUFUKCQA-INIZCTEOSA-N 2 0 342.462 3.132 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)CC1 ZINC000294974632 308277875 /nfs/dbraw/zinc/27/78/75/308277875.db2.gz KDMMLIJVBJXIJU-IBGZPJMESA-N 2 0 335.561 3.475 20 0 EGADRP CC(C)C[C@@H](CN1CCCC1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000295037512 308284047 /nfs/dbraw/zinc/28/40/47/308284047.db2.gz DPPHMSCECDNJPQ-IBGZPJMESA-N 3 0 330.520 3.151 20 0 EGADRP COC(=O)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000295291042 308311555 /nfs/dbraw/zinc/31/15/55/308311555.db2.gz LJTMLQNRROYOPF-YIONKMFJSA-N 2 0 336.863 3.184 20 0 EGADRP COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414701225 309096200 /nfs/dbraw/zinc/09/62/00/309096200.db2.gz UKTOLGMJPGFJMO-ZIAGYGMSSA-N 2 0 328.859 3.316 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC(C)C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695725 309095785 /nfs/dbraw/zinc/09/57/85/309095785.db2.gz OPSGYTJEIFDPBR-ICSRJNTNSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC[NH2+]1 ZINC000414749442 309098743 /nfs/dbraw/zinc/09/87/43/309098743.db2.gz PYUJTDTZJSOMBU-ZIAGYGMSSA-N 2 0 336.426 3.248 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414757598 309099041 /nfs/dbraw/zinc/09/90/41/309099041.db2.gz SUYIVOBMJWXALV-RDJZCZTQSA-N 2 0 346.906 3.464 20 0 EGADRP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000414773753 309100095 /nfs/dbraw/zinc/10/00/95/309100095.db2.gz DZQPTYDSEBWLJE-CHWSQXEVSA-N 2 0 341.268 3.410 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1C(F)(F)F ZINC000414779437 309100559 /nfs/dbraw/zinc/10/05/59/309100559.db2.gz RDWZRPYDIIVKRE-SJORKVTESA-N 2 0 342.405 3.342 20 0 EGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414782703 309100789 /nfs/dbraw/zinc/10/07/89/309100789.db2.gz OREAKVMSTAWSCH-IRXDYDNUSA-N 2 0 344.890 3.347 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787679 309101145 /nfs/dbraw/zinc/10/11/45/309101145.db2.gz VTSMUDLMENTIAT-DLBZAZTESA-N 2 0 342.462 3.141 20 0 EGADRP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789183 309101460 /nfs/dbraw/zinc/10/14/60/309101460.db2.gz XVCKBNVHRQVUTL-HUUCEWRRSA-N 2 0 342.405 3.449 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414810979 309102985 /nfs/dbraw/zinc/10/29/85/309102985.db2.gz VTRXSAVBGOXQHZ-PKOBYXMFSA-N 2 0 325.456 3.364 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1OCc1ccccc1 ZINC000414813648 309103219 /nfs/dbraw/zinc/10/32/19/309103219.db2.gz YNWIEDWDFOBXOI-RTBURBONSA-N 2 0 340.467 3.491 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414829262 309104217 /nfs/dbraw/zinc/10/42/17/309104217.db2.gz NOSGGVBBWFAKOB-MRXNPFEDSA-N 2 0 340.467 3.460 20 0 EGADRP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000414829161 309104240 /nfs/dbraw/zinc/10/42/40/309104240.db2.gz NFIRKQZGMCJSTI-NSHDSACASA-N 2 0 349.219 3.140 20 0 EGADRP c1c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000414835404 309104634 /nfs/dbraw/zinc/10/46/34/309104634.db2.gz RROOBNFTZHRVSE-KRWDZBQOSA-N 2 0 347.466 3.024 20 0 EGADRP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000357049351 308891095 /nfs/dbraw/zinc/89/10/95/308891095.db2.gz KUYKGLWQAWHSRB-HNNXBMFYSA-N 2 0 340.414 3.118 20 0 EGADRP CCC[NH2+]CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414866353 309106215 /nfs/dbraw/zinc/10/62/15/309106215.db2.gz GLCYLOIXIPQPDM-LBPRGKRZSA-N 2 0 331.382 3.012 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414911689 309108716 /nfs/dbraw/zinc/10/87/16/309108716.db2.gz SUHARZPUIMXSRV-UHFFFAOYSA-N 2 0 325.865 3.204 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(OCCC(C)C)cc2)CC[NH2+]CC1 ZINC000414950093 309110987 /nfs/dbraw/zinc/11/09/87/309110987.db2.gz DONMRTBPTRRSOF-UHFFFAOYSA-N 2 0 334.504 3.217 20 0 EGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414972591 309112348 /nfs/dbraw/zinc/11/23/48/309112348.db2.gz MJNQPPOALCNFFZ-AWEZNQCLSA-N 2 0 345.468 3.161 20 0 EGADRP COCC1(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414976311 309112553 /nfs/dbraw/zinc/11/25/53/309112553.db2.gz PIELJGZFGNDJCF-CQSZACIVSA-N 2 0 344.421 3.415 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000414986378 309112924 /nfs/dbraw/zinc/11/29/24/309112924.db2.gz CDJDCYNVHAQIBZ-GJZGRUSLSA-N 2 0 331.485 3.329 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414997873 309113364 /nfs/dbraw/zinc/11/33/64/309113364.db2.gz QENYAXWKDDTREB-PBHICJAKSA-N 2 0 332.879 3.441 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000414996603 309113371 /nfs/dbraw/zinc/11/33/71/309113371.db2.gz GNIMSBDRUZTZQT-KPACCLEDSA-N 2 0 345.506 3.029 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414999329 309113407 /nfs/dbraw/zinc/11/34/07/309113407.db2.gz RROKDKNLMYVRFA-RBUKOAKNSA-N 2 0 326.488 3.155 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000415003280 309113751 /nfs/dbraw/zinc/11/37/51/309113751.db2.gz WWOVEMRKLIDUPQ-WMZOPIPTSA-N 2 0 325.456 3.268 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OC(F)F ZINC000415004884 309113815 /nfs/dbraw/zinc/11/38/15/309113815.db2.gz IODKIMVUMVOZOA-LSDHHAIUSA-N 2 0 340.414 3.164 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000415012799 309114213 /nfs/dbraw/zinc/11/42/13/309114213.db2.gz XLWQQUHPEDPNGF-LSDHHAIUSA-N 2 0 349.906 3.052 20 0 EGADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013910 309114369 /nfs/dbraw/zinc/11/43/69/309114369.db2.gz VYNPHSWWRVIRGO-VQTJNVASSA-N 2 0 338.499 3.473 20 0 EGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415014558 309114415 /nfs/dbraw/zinc/11/44/15/309114415.db2.gz MRPHMMSSNMVZMI-STQMWFEESA-N 2 0 341.883 3.173 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415022227 309114780 /nfs/dbraw/zinc/11/47/80/309114780.db2.gz IMGAXVZFNWEPLD-JOCQHMNTSA-N 2 0 328.403 3.151 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000415021242 309114869 /nfs/dbraw/zinc/11/48/69/309114869.db2.gz KGTNSJOFEIXEQX-VXGBXAGGSA-N 2 0 347.381 3.019 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000415024638 309114924 /nfs/dbraw/zinc/11/49/24/309114924.db2.gz PHAHNQHEEZEWBI-LLVKDONJSA-N 2 0 337.265 3.056 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000415027163 309115098 /nfs/dbraw/zinc/11/50/98/309115098.db2.gz VPLXXXOHUYVZDZ-ZWOKBUDYSA-N 2 0 332.488 3.099 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415040694 309116011 /nfs/dbraw/zinc/11/60/11/309116011.db2.gz PDNKKACTKGMNIF-AEFFLSMTSA-N 2 0 346.906 3.419 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000415042527 309116076 /nfs/dbraw/zinc/11/60/76/309116076.db2.gz QZNXHZBMZQHTQO-MWLCHTKSSA-N 2 0 349.219 3.268 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415043305 309116183 /nfs/dbraw/zinc/11/61/83/309116183.db2.gz RSURLMOACCNNTP-WFASDCNBSA-N 2 0 341.293 3.455 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415046335 309116327 /nfs/dbraw/zinc/11/63/27/309116327.db2.gz UZRNVNBXRBUNRD-KGYLQXTDSA-N 2 0 329.257 3.236 20 0 EGADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052548 309116755 /nfs/dbraw/zinc/11/67/55/309116755.db2.gz ILLSTUNUIAQKEC-OXQOHEQNSA-N 2 0 326.488 3.412 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000415054394 309116940 /nfs/dbraw/zinc/11/69/40/309116940.db2.gz NKPKHJJEJVBEPS-NRFANRHFSA-N 2 0 338.499 3.116 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415055907 309117117 /nfs/dbraw/zinc/11/71/17/309117117.db2.gz PJARBKSXSBQYRU-IBGZPJMESA-N 2 0 345.531 3.483 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H](CC[NH3+])C(F)(F)F ZINC000415061006 309117591 /nfs/dbraw/zinc/11/75/91/309117591.db2.gz VJIQFAYXQHEKEJ-OAHLLOKOSA-N 2 0 331.426 3.014 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000415078094 309118704 /nfs/dbraw/zinc/11/87/04/309118704.db2.gz IGRYYUDSRWPOPP-FGTMMUONSA-N 2 0 346.515 3.492 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415081098 309118854 /nfs/dbraw/zinc/11/88/54/309118854.db2.gz KAFVMBIQVNPGEC-ICSRJNTNSA-N 2 0 340.515 3.374 20 0 EGADRP [NH3+]CC1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000415082425 309118962 /nfs/dbraw/zinc/11/89/62/309118962.db2.gz OHXOUELUKGWRKR-UHFFFAOYSA-N 2 0 336.907 3.495 20 0 EGADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000415084172 309119208 /nfs/dbraw/zinc/11/92/08/309119208.db2.gz OHQFRSMUARUYRK-XUVXKRRUSA-N 2 0 342.531 3.328 20 0 EGADRP C[C@@]1(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH2+]C1 ZINC000415089499 309119453 /nfs/dbraw/zinc/11/94/53/309119453.db2.gz YBCMBIQCGKUPEB-SJLPKXTDSA-N 2 0 339.886 3.033 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[NH2+]1 ZINC000415090772 309119613 /nfs/dbraw/zinc/11/96/13/309119613.db2.gz ZNSIVDOFDNKVKT-GDBMZVCRSA-N 2 0 329.419 3.491 20 0 EGADRP CCOc1ccc(C2(C[NH2+]C[C@H]3CC[NH2+][C@H](C)C3)CCOCC2)cc1 ZINC000415092115 309119692 /nfs/dbraw/zinc/11/96/92/309119692.db2.gz SCYFBNAUZHWXSC-MSOLQXFVSA-N 2 0 346.515 3.111 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415101575 309120393 /nfs/dbraw/zinc/12/03/93/309120393.db2.gz CHAHREYBRFDACU-QMMLZNLJSA-N 2 0 330.516 3.474 20 0 EGADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415104292 309120602 /nfs/dbraw/zinc/12/06/02/309120602.db2.gz KQFXRHXLUJIHBG-QHAWAJNXSA-N 2 0 342.531 3.161 20 0 EGADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415121155 309121659 /nfs/dbraw/zinc/12/16/59/309121659.db2.gz HMDBJHWKIJQRJR-WMZOPIPTSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCCCOc3ccccc3)CC2)C1 ZINC000415126747 309122204 /nfs/dbraw/zinc/12/22/04/309122204.db2.gz PXRWVSOZKFXHGE-FPOVZHCZSA-N 2 0 346.515 3.454 20 0 EGADRP Cc1ccc(F)cc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415127566 309122437 /nfs/dbraw/zinc/12/24/37/309122437.db2.gz IQDKDQLFLPIZGW-UHFFFAOYSA-N 2 0 341.474 3.217 20 0 EGADRP Cc1ccc(F)c(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415134137 309122832 /nfs/dbraw/zinc/12/28/32/309122832.db2.gz NWBRNTWSJASJLL-UHFFFAOYSA-N 2 0 341.474 3.217 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000415138285 309123251 /nfs/dbraw/zinc/12/32/51/309123251.db2.gz YUXZPYKIYJAYON-QFBILLFUSA-N 2 0 325.456 3.077 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415900315 309146870 /nfs/dbraw/zinc/14/68/70/309146870.db2.gz LEXZTYRRNLFVEB-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C(CC)CC)[NH+](C)C)c1 ZINC000415903961 309147115 /nfs/dbraw/zinc/14/71/15/309147115.db2.gz FNVPMROCQFNIDH-GOSISDBHSA-N 2 0 334.508 3.284 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N(CC)CCC[NH+]2CCCC2)c1 ZINC000415919890 309148683 /nfs/dbraw/zinc/14/86/83/309148683.db2.gz NMRMASGLRKUATN-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415939711 309150135 /nfs/dbraw/zinc/15/01/35/309150135.db2.gz ZJCHVLYQQWERMZ-CVEARBPZSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415964952 309151682 /nfs/dbraw/zinc/15/16/82/309151682.db2.gz XIJCCZXIXJRLSD-UHFFFAOYSA-N 2 0 340.471 3.309 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415972129 309152045 /nfs/dbraw/zinc/15/20/45/309152045.db2.gz LWQKZQCUZYTHMY-HKUYNNGSSA-N 2 0 346.519 3.428 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982701 309152840 /nfs/dbraw/zinc/15/28/40/309152840.db2.gz XQXCROINRFFZBO-KXBFYZLASA-N 2 0 338.455 3.102 20 0 EGADRP C[C@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000416239254 309165209 /nfs/dbraw/zinc/16/52/09/309165209.db2.gz KJPQXJVZXHXISU-YLJYHZDGSA-N 2 0 343.515 3.012 20 0 EGADRP CCC(CC)(CNC(=O)N1CCC([NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417707875 309218985 /nfs/dbraw/zinc/21/89/85/309218985.db2.gz RGJCLWFUNUWBRA-INIZCTEOSA-N 2 0 346.519 3.029 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000417848344 309225017 /nfs/dbraw/zinc/22/50/17/309225017.db2.gz BINYQAIBVRDAQZ-CRAIPNDOSA-N 2 0 348.535 3.085 20 0 EGADRP COCCCC[C@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccccc1 ZINC000419722019 309271317 /nfs/dbraw/zinc/27/13/17/309271317.db2.gz CYWXYQGODFLMFZ-SFHVURJKSA-N 2 0 330.476 3.134 20 0 EGADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420266958 309278638 /nfs/dbraw/zinc/27/86/38/309278638.db2.gz WKJSESOIWBSYNX-STQMWFEESA-N 2 0 333.382 3.190 20 0 EGADRP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000420296372 309279838 /nfs/dbraw/zinc/27/98/38/309279838.db2.gz BQEULOCMLHOYPF-YSSFQJQWSA-N 2 0 330.447 3.140 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2c3ccccc3oc2C(=O)OCC)CC1 ZINC000420297966 309279985 /nfs/dbraw/zinc/27/99/85/309279985.db2.gz ZHMJTUOHGPWBIT-UHFFFAOYSA-N 2 0 344.455 3.431 20 0 EGADRP C[N@@H+](Cc1cccc2ccccc21)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296430 309280042 /nfs/dbraw/zinc/28/00/42/309280042.db2.gz BYGMTBHKVZXVMZ-VXKWHMMOSA-N 2 0 334.463 3.203 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CCC[NH2+]C1 ZINC000420299113 309280219 /nfs/dbraw/zinc/28/02/19/309280219.db2.gz GIAZJUIEDGDQCK-INIZCTEOSA-N 2 0 344.478 3.470 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420304308 309280349 /nfs/dbraw/zinc/28/03/49/309280349.db2.gz IOEJVPXNYBHJDQ-HIFRSBDPSA-N 2 0 330.863 3.275 20 0 EGADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420306858 309280689 /nfs/dbraw/zinc/28/06/89/309280689.db2.gz BCIXKCRSFMLIFW-RDTXWAMCSA-N 2 0 330.863 3.151 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000420312389 309281332 /nfs/dbraw/zinc/28/13/32/309281332.db2.gz WWWXTVFDEIKANE-FKBYEOEOSA-N 2 0 338.495 3.187 20 0 EGADRP COc1ccc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000420315431 309281389 /nfs/dbraw/zinc/28/13/89/309281389.db2.gz LUAHAWZKPITURU-CYBMUJFWSA-N 2 0 328.403 3.118 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420316823 309281657 /nfs/dbraw/zinc/28/16/57/309281657.db2.gz YNXSJTSWIBBWOQ-JGGQBBKZSA-N 2 0 344.480 3.247 20 0 EGADRP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420320298 309282184 /nfs/dbraw/zinc/28/21/84/309282184.db2.gz BDDNEHGBNOVWAN-IAGOWNOFSA-N 2 0 341.455 3.172 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420324319 309282292 /nfs/dbraw/zinc/28/22/92/309282292.db2.gz VHOOYPXCTOSNET-LJQANCHMSA-N 3 0 329.532 3.220 20 0 EGADRP CCC[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420337114 309283134 /nfs/dbraw/zinc/28/31/34/309283134.db2.gz JKSLLBBDCLLXLW-VQTJNVASSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340653 309283167 /nfs/dbraw/zinc/28/31/67/309283167.db2.gz NBKQFLYEIDBEJU-IRXDYDNUSA-N 2 0 329.488 3.070 20 0 EGADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341410 309283241 /nfs/dbraw/zinc/28/32/41/309283241.db2.gz OEBKLPIFZYVKNJ-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420360852 309284076 /nfs/dbraw/zinc/28/40/76/309284076.db2.gz LNVQETOXBWXXBA-LJQANCHMSA-N 2 0 337.467 3.417 20 0 EGADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Br ZINC000420382849 309285432 /nfs/dbraw/zinc/28/54/32/309285432.db2.gz YUOGSSIAPHXSKH-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420385600 309285651 /nfs/dbraw/zinc/28/56/51/309285651.db2.gz TXFCBTFULZGKQE-CTNGQTDRSA-N 2 0 346.515 3.291 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCCOC(C)(C)C)CC2)CC1 ZINC000420976247 309305236 /nfs/dbraw/zinc/30/52/36/309305236.db2.gz GOMMFPXXVZPPAZ-UHFFFAOYSA-N 2 0 339.568 3.074 20 0 EGADRP CCc1ccc(CC[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000420975420 309305330 /nfs/dbraw/zinc/30/53/30/309305330.db2.gz FXZNLBFAANWEGE-UHFFFAOYSA-N 2 0 343.559 3.284 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826433 309341822 /nfs/dbraw/zinc/34/18/22/309341822.db2.gz SHVZJDKXHUSIKM-LJQANCHMSA-N 2 0 339.483 3.059 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCCC1 ZINC000421836688 309342545 /nfs/dbraw/zinc/34/25/45/309342545.db2.gz RDVJFYCJXWFGDC-QGZVFWFLSA-N 2 0 346.515 3.081 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421840720 309342842 /nfs/dbraw/zinc/34/28/42/309342842.db2.gz IZHPNPLNASDWDP-HUUCEWRRSA-N 2 0 341.902 3.026 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@H]1C[NH3+] ZINC000422563679 309361854 /nfs/dbraw/zinc/36/18/54/309361854.db2.gz UGVSVCPYCBWWJA-JMVFIXPQSA-N 2 0 332.488 3.050 20 0 EGADRP Clc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422698731 309363464 /nfs/dbraw/zinc/36/34/64/309363464.db2.gz ATDLEFNJNDINFC-RCCFBDPRSA-N 2 0 334.891 3.118 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701408 309363859 /nfs/dbraw/zinc/36/38/59/309363859.db2.gz IMQWGJQABKUSKJ-APHBMKBZSA-N 2 0 342.405 3.079 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422702141 309363892 /nfs/dbraw/zinc/36/38/92/309363892.db2.gz KCYCNQNUGIYAGJ-SWLSCSKDSA-N 2 0 329.257 3.238 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422706097 309363944 /nfs/dbraw/zinc/36/39/44/309363944.db2.gz DITUIAKNZXQRNK-KGLIPLIRSA-N 2 0 329.419 3.293 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422713638 309364479 /nfs/dbraw/zinc/36/44/79/309364479.db2.gz KDTBDZJRNWBPBK-RHSMWYFYSA-N 2 0 327.428 3.010 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422715254 309364497 /nfs/dbraw/zinc/36/44/97/309364497.db2.gz SDGMARRYTAVHDO-MJGOQNOKSA-N 2 0 329.488 3.422 20 0 EGADRP [NH3+]CC1CCC([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000422726408 309365266 /nfs/dbraw/zinc/36/52/66/309365266.db2.gz ZTRUATJTXFGLKY-UHFFFAOYSA-N 2 0 325.456 3.268 20 0 EGADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000422735165 309365792 /nfs/dbraw/zinc/36/57/92/309365792.db2.gz DLOPFIGESVZFOL-VAMGGRTRSA-N 2 0 341.499 3.340 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422746451 309366313 /nfs/dbraw/zinc/36/63/13/309366313.db2.gz WNUOKSYBEKGBQV-HNNXBMFYSA-N 3 0 326.488 3.151 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422762168 309367059 /nfs/dbraw/zinc/36/70/59/309367059.db2.gz RXMALDVGWBSWQD-JXFKEZNVSA-N 2 0 336.483 3.283 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000422769553 309367373 /nfs/dbraw/zinc/36/73/73/309367373.db2.gz VGDRTQSAVUVCNE-JCHJZTRSSA-N 2 0 335.923 3.453 20 0 EGADRP CC[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422771035 309367440 /nfs/dbraw/zinc/36/74/40/309367440.db2.gz VIHVYSIEMMNXFO-SXLOBPIMSA-N 2 0 345.531 3.007 20 0 EGADRP Clc1ccc(SCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422774754 309367667 /nfs/dbraw/zinc/36/76/67/309367667.db2.gz YJBGWTCBONXWPZ-GVDBMIGSSA-N 2 0 340.920 3.179 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[NH2+]CC1 ZINC000422790479 309368483 /nfs/dbraw/zinc/36/84/83/309368483.db2.gz CBSBNGULHPSWLC-WNRNVDISSA-N 2 0 336.520 3.256 20 0 EGADRP C[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422793305 309368747 /nfs/dbraw/zinc/36/87/47/309368747.db2.gz XBRJGBGLAKWCOU-DNVCBOLYSA-N 2 0 335.923 3.425 20 0 EGADRP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[N@@H+](CC4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422799730 309369113 /nfs/dbraw/zinc/36/91/13/309369113.db2.gz YETYHCBNHROVPZ-NJYVYQBISA-N 2 0 327.516 3.334 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000422798272 309369177 /nfs/dbraw/zinc/36/91/77/309369177.db2.gz QLBROEQBPKLXMY-HSALFYBXSA-N 2 0 333.520 3.328 20 0 EGADRP c1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422802132 309369217 /nfs/dbraw/zinc/36/92/17/309369217.db2.gz AXYMAJWDTDLREO-SLFFLAALSA-N 2 0 328.500 3.245 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422812276 309369694 /nfs/dbraw/zinc/36/96/94/309369694.db2.gz WCZHHEPLUQTJOU-CIAFKFPVSA-N 2 0 341.543 3.334 20 0 EGADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])c2)cc1 ZINC000422823407 309370352 /nfs/dbraw/zinc/37/03/52/309370352.db2.gz LMICNTDFLXLMMY-MJXNMMHHSA-N 2 0 346.496 3.266 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422822443 309370374 /nfs/dbraw/zinc/37/03/74/309370374.db2.gz KAEPVHPXYZVZOO-XUVXKRRUSA-N 3 0 345.531 3.027 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422829534 309370683 /nfs/dbraw/zinc/37/06/83/309370683.db2.gz USHPYHSKHIQQGB-IEBWSBKVSA-N 2 0 326.488 3.315 20 0 EGADRP C[C@H](CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422829019 309370799 /nfs/dbraw/zinc/37/07/99/309370799.db2.gz UHUMJMXSGQEBKU-DXIQSLLYSA-N 2 0 339.527 3.445 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422832560 309370985 /nfs/dbraw/zinc/37/09/85/309370985.db2.gz XYOJIYODJHVVOQ-OKZBNKHCSA-N 2 0 344.499 3.246 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422836562 309371089 /nfs/dbraw/zinc/37/10/89/309371089.db2.gz KIDBJHYRVKNRHI-ZAAXVRCTSA-N 2 0 343.902 3.467 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422847739 309371773 /nfs/dbraw/zinc/37/17/73/309371773.db2.gz RXZQGMMYVIWIJC-HEHGZKQESA-N 2 0 327.875 3.331 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)cc2c(OC)c1 ZINC000422848938 309371902 /nfs/dbraw/zinc/37/19/02/309371902.db2.gz BJEHPRHAYIBDNH-KSSFIOAISA-N 2 0 345.487 3.238 20 0 EGADRP COc1ccc([C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422857034 309372178 /nfs/dbraw/zinc/37/21/78/309372178.db2.gz GMLWCMVAZGYVGU-UIFIKXQLSA-N 2 0 343.515 3.095 20 0 EGADRP COc1ccc([C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422857036 309372247 /nfs/dbraw/zinc/37/22/47/309372247.db2.gz GMLWCMVAZGYVGU-YYWHXJBOSA-N 2 0 343.515 3.095 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2c(OC)c1 ZINC000422870272 309372946 /nfs/dbraw/zinc/37/29/46/309372946.db2.gz XKVOOIQGOHAOJN-KBXCAEBGSA-N 2 0 345.487 3.225 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(OCCC(C)C)c1 ZINC000422869101 309372950 /nfs/dbraw/zinc/37/29/50/309372950.db2.gz WDCYJMNIDIYLMW-BHIYHBOVSA-N 2 0 334.504 3.262 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000422872996 309373052 /nfs/dbraw/zinc/37/30/52/309373052.db2.gz JKVCOJQBXBPLIK-RIFZZMRRSA-N 2 0 338.499 3.162 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)CCOCC2)cc1 ZINC000422875944 309373204 /nfs/dbraw/zinc/37/32/04/309373204.db2.gz DRWAYYVJXSKSFM-FXAWDEMLSA-N 2 0 346.515 3.111 20 0 EGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422874049 309373210 /nfs/dbraw/zinc/37/32/10/309373210.db2.gz BYUNZOOEEVZYID-IAGOWNOFSA-N 2 0 339.483 3.140 20 0 EGADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)C1C[NH2+]C1 ZINC000422879555 309373666 /nfs/dbraw/zinc/37/36/66/309373666.db2.gz MNGOVHJWSWRGNM-GFCCVEGCSA-N 2 0 343.298 3.239 20 0 EGADRP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422881908 309373853 /nfs/dbraw/zinc/37/38/53/309373853.db2.gz ZOIQEFYSKCCFGO-BHIYHBOVSA-N 2 0 334.504 3.406 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422886915 309374360 /nfs/dbraw/zinc/37/43/60/309374360.db2.gz AACBHWKTCHKDKE-MJGOQNOKSA-N 3 0 333.520 3.014 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422899310 309374955 /nfs/dbraw/zinc/37/49/55/309374955.db2.gz HDGMUFNVXPNVJM-KDOFPFPSSA-N 2 0 329.419 3.491 20 0 EGADRP COc1ccc(OCCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422898502 309375062 /nfs/dbraw/zinc/37/50/62/309375062.db2.gz MGJFSLZJQFKOIJ-UZLBHIALSA-N 2 0 328.456 3.012 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cn2)c1 ZINC000422900959 309375154 /nfs/dbraw/zinc/37/51/54/309375154.db2.gz REKKFWWZOVAVGM-VQIMIIECSA-N 2 0 341.455 3.490 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000422901512 309375237 /nfs/dbraw/zinc/37/52/37/309375237.db2.gz LDTMGHNLBSCZOF-ZYSHUDEJSA-N 2 0 334.479 3.370 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422913301 309375892 /nfs/dbraw/zinc/37/58/92/309375892.db2.gz YDUCFVBRERHJIO-SFTDATJTSA-N 3 0 329.532 3.191 20 0 EGADRP C(CC12CC3CC(CC(C3)C1)C2)[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422930830 309376645 /nfs/dbraw/zinc/37/66/45/309376645.db2.gz WDTPTDWKKCOPJZ-GZIOAPHQSA-N 2 0 332.532 3.340 20 0 EGADRP c1sc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422936367 309377068 /nfs/dbraw/zinc/37/70/68/309377068.db2.gz MEYNPIJJSCGYCB-RCCFBDPRSA-N 2 0 330.497 3.191 20 0 EGADRP CC(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000422947237 309377594 /nfs/dbraw/zinc/37/75/94/309377594.db2.gz XVEYKUHYUCMPKQ-JITJBCMDSA-N 2 0 329.532 3.176 20 0 EGADRP Cc1ccccc1OCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422948413 309377690 /nfs/dbraw/zinc/37/76/90/309377690.db2.gz RGCHQHWOCNWCFL-GHTZIAJQSA-N 2 0 338.451 3.219 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422961142 309378511 /nfs/dbraw/zinc/37/85/11/309378511.db2.gz ASEGIJRIPYYQGY-CQSZACIVSA-N 2 0 335.455 3.100 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccco1 ZINC000422972441 309378959 /nfs/dbraw/zinc/37/89/59/309378959.db2.gz LQDDHSDAEBSUFM-RDTXWAMCSA-N 2 0 330.476 3.175 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccco1 ZINC000422973402 309379148 /nfs/dbraw/zinc/37/91/48/309379148.db2.gz OKVBIZOQVRALTR-NZSAHSFTSA-N 2 0 329.488 3.211 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000422990118 309379849 /nfs/dbraw/zinc/37/98/49/309379849.db2.gz BQCYPPOWHLUXNS-LAUBAEHRSA-N 3 0 341.499 3.389 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000422990119 309379866 /nfs/dbraw/zinc/37/98/66/309379866.db2.gz BQCYPPOWHLUXNS-UTKZUKDTSA-N 3 0 341.499 3.389 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423003006 309380382 /nfs/dbraw/zinc/38/03/82/309380382.db2.gz KNKORODQQWWIMV-JYAXBFRTSA-N 2 0 329.532 3.407 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423013433 309380946 /nfs/dbraw/zinc/38/09/46/309380946.db2.gz MSHPYYWTJDRDQZ-QRVBRYPASA-N 2 0 332.488 3.147 20 0 EGADRP FC(F)(F)CSCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423015847 309381133 /nfs/dbraw/zinc/38/11/33/309381133.db2.gz LLOCSQQVOFQCES-HIFRSBDPSA-N 2 0 346.418 3.127 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423016233 309381182 /nfs/dbraw/zinc/38/11/82/309381182.db2.gz SJYUWTYZQJTBJB-JTQLQIEISA-N 2 0 339.789 3.240 20 0 EGADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423019235 309381275 /nfs/dbraw/zinc/38/12/75/309381275.db2.gz UUKVWADFMSIDTN-IAMHBRQHSA-N 2 0 343.471 3.284 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423022733 309381570 /nfs/dbraw/zinc/38/15/70/309381570.db2.gz IITVJVOMHMFTHL-QSRMWPQZSA-N 2 0 344.499 3.426 20 0 EGADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022487 309381629 /nfs/dbraw/zinc/38/16/29/309381629.db2.gz HTBKJNOQPHJDDH-YENGBRFLSA-N 2 0 339.886 3.202 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCCC[C@H]3C[NH3+])c2)CC1 ZINC000423025106 309381679 /nfs/dbraw/zinc/38/16/79/309381679.db2.gz KPCBMUUJZGEAJN-FXAWDEMLSA-N 2 0 330.520 3.146 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3sccc32)CC[NH2+]CC1 ZINC000423054395 309383326 /nfs/dbraw/zinc/38/33/26/309383326.db2.gz URQTUIFXZGKLGY-ZFWWWQNUSA-N 2 0 336.501 3.037 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423057325 309383624 /nfs/dbraw/zinc/38/36/24/309383624.db2.gz HAMBTWLNWRYICG-NOXHYTERSA-N 2 0 330.394 3.151 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F)CC[NH2+]CC1 ZINC000423078563 309384883 /nfs/dbraw/zinc/38/48/83/309384883.db2.gz WDYLOPZPRPASKG-QWHCGFSZSA-N 2 0 338.414 3.019 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423094429 309385481 /nfs/dbraw/zinc/38/54/81/309385481.db2.gz BTTWSQZXBXAGBC-SEZKVPAMSA-N 2 0 326.843 3.067 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093259 309385646 /nfs/dbraw/zinc/38/56/46/309385646.db2.gz GUNASGAFVNVGRP-HOCLYGCPSA-N 2 0 330.394 3.277 20 0 EGADRP C[C@@H]1CC(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)O1 ZINC000423100944 309385906 /nfs/dbraw/zinc/38/59/06/309385906.db2.gz NCKOQLXUGUTHIX-CWLMSFPYSA-N 2 0 330.472 3.036 20 0 EGADRP CC(C)Oc1ccc([C@@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423121816 309387074 /nfs/dbraw/zinc/38/70/74/309387074.db2.gz JCGLVUHCRNCTKJ-FFZOFVMBSA-N 2 0 333.520 3.197 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423124877 309387131 /nfs/dbraw/zinc/38/71/31/309387131.db2.gz MVHSAARSSGRKTH-LPHOPBHVSA-N 2 0 344.499 3.283 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3sccc3c2)CC[NH2+]CC1 ZINC000423128630 309387398 /nfs/dbraw/zinc/38/73/98/309387398.db2.gz VYFBCGQCNZZPNB-CQSZACIVSA-N 2 0 346.496 3.312 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423143736 309388150 /nfs/dbraw/zinc/38/81/50/309388150.db2.gz XSGIFIVSXRCRAG-NJDAHSKKSA-N 2 0 346.515 3.250 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423202325 309390372 /nfs/dbraw/zinc/39/03/72/309390372.db2.gz AQZGSJIQLICYIB-MLNNCEHLSA-N 2 0 341.543 3.266 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2F)s1 ZINC000423211511 309390447 /nfs/dbraw/zinc/39/04/47/309390447.db2.gz YMIBYZMBFPUPTB-CQSZACIVSA-N 2 0 333.476 3.110 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000423213344 309390597 /nfs/dbraw/zinc/39/05/97/309390597.db2.gz JULXBHZOTSMUBH-VCANKDNSSA-N 2 0 333.867 3.150 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221463 309391234 /nfs/dbraw/zinc/39/12/34/309391234.db2.gz ZWWITNXWDUXYGN-BMIGLBTASA-N 2 0 327.241 3.165 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C2 ZINC000423257578 309392591 /nfs/dbraw/zinc/39/25/91/309392591.db2.gz KEMJTCOGDPVHPB-GUYCJALGSA-N 2 0 337.305 3.286 20 0 EGADRP C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272179 309393341 /nfs/dbraw/zinc/39/33/41/309393341.db2.gz YWXIAZWEYBDXFR-JXFKEZNVSA-N 2 0 333.520 3.185 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423278766 309393861 /nfs/dbraw/zinc/39/38/61/309393861.db2.gz RMFXTWVIGXPMTJ-STQMWFEESA-N 2 0 343.284 3.499 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423283073 309393931 /nfs/dbraw/zinc/39/39/31/309393931.db2.gz XAIBZFJOFHYRGX-LSDHHAIUSA-N 2 0 334.460 3.121 20 0 EGADRP COc1ccc(C[C@H]([NH2+]C[C@H](C)C[NH3+])c2ccc(OC)cc2)cc1 ZINC000423294081 309394320 /nfs/dbraw/zinc/39/43/20/309394320.db2.gz BGDLSVASSSZIKI-QRWLVFNGSA-N 2 0 328.456 3.172 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000423302909 309394461 /nfs/dbraw/zinc/39/44/61/309394461.db2.gz WJPRDPHMWQPZDK-MOPGFXCFSA-N 2 0 339.483 3.132 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000423306820 309394694 /nfs/dbraw/zinc/39/46/94/309394694.db2.gz MAUOLRMZEIBVQU-SJORKVTESA-N 2 0 349.544 3.299 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000423312394 309394855 /nfs/dbraw/zinc/39/48/55/309394855.db2.gz RSWIIWNQFWHMOK-FQEVSTJZSA-N 2 0 343.515 3.196 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423316401 309395019 /nfs/dbraw/zinc/39/50/19/309395019.db2.gz APPPVMYXCJEIAN-LJQANCHMSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423325329 309395250 /nfs/dbraw/zinc/39/52/50/309395250.db2.gz JLMXFBKTKOLMDX-SNVBAGLBSA-N 2 0 330.245 3.024 20 0 EGADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423333219 309395765 /nfs/dbraw/zinc/39/57/65/309395765.db2.gz DXYUVZMRHUAYIT-QAPCUYQASA-N 2 0 348.462 3.344 20 0 EGADRP C[N@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000423337268 309395883 /nfs/dbraw/zinc/39/58/83/309395883.db2.gz UCCJSLCXDIJDFJ-SFHVURJKSA-N 2 0 331.504 3.093 20 0 EGADRP COCC[NH2+]CCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423340036 309396007 /nfs/dbraw/zinc/39/60/07/309396007.db2.gz SKZSYGZGXRIIAF-IBGZPJMESA-N 2 0 334.410 3.074 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Br ZINC000423344269 309396275 /nfs/dbraw/zinc/39/62/75/309396275.db2.gz XMKCZMNYHCCEML-BLLLJJGKSA-N 2 0 341.293 3.498 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423348340 309396305 /nfs/dbraw/zinc/39/63/05/309396305.db2.gz TUSQLNUAZTVYKO-WBMJQRKESA-N 2 0 343.284 3.499 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H](C)[NH3+] ZINC000423352818 309396683 /nfs/dbraw/zinc/39/66/83/309396683.db2.gz BYLCVZWESSDUSN-FXAWDEMLSA-N 2 0 345.531 3.154 20 0 EGADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000423356505 309396732 /nfs/dbraw/zinc/39/67/32/309396732.db2.gz KAKUTIBWPWRQCI-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H](C)[NH3+] ZINC000423359352 309396996 /nfs/dbraw/zinc/39/69/96/309396996.db2.gz OXVVBJQYWIFDRH-YLJYHZDGSA-N 2 0 345.531 3.298 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000423377047 309397861 /nfs/dbraw/zinc/39/78/61/309397861.db2.gz VPFPVSXYKSUTHK-RULNRJAQSA-N 2 0 327.241 3.435 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C2CC2)c1 ZINC000423396060 309398490 /nfs/dbraw/zinc/39/84/90/309398490.db2.gz RFVBZKQIIJYEAX-CXAGYDPISA-N 2 0 341.421 3.051 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CCCC1)c1ccccc1 ZINC000423407006 309398849 /nfs/dbraw/zinc/39/88/49/309398849.db2.gz LMJFVLCLHHWWBJ-LNLFQRSKSA-N 2 0 343.515 3.154 20 0 EGADRP COCC1(C[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)CC[NH2+]CC1 ZINC000423409859 309399104 /nfs/dbraw/zinc/39/91/04/309399104.db2.gz QUHDINBASDPMFC-SFHVURJKSA-N 2 0 330.516 3.493 20 0 EGADRP C[N@@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000423426688 309399919 /nfs/dbraw/zinc/39/99/19/309399919.db2.gz NIHQGQRRAJCNCX-BVSLBCMMSA-N 2 0 335.495 3.299 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1OCc1ccccc1 ZINC000423543637 309405819 /nfs/dbraw/zinc/40/58/19/309405819.db2.gz NOMSVANZMYSASK-USYVTKNRSA-N 2 0 328.500 3.348 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423546524 309406013 /nfs/dbraw/zinc/40/60/13/309406013.db2.gz ZBSDEJXBHRHODF-HNNXBMFYSA-N 2 0 332.444 3.042 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423553453 309406106 /nfs/dbraw/zinc/40/61/06/309406106.db2.gz GXSPBNUVYMDJGN-IEBWSBKVSA-N 2 0 329.532 3.394 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423554625 309406239 /nfs/dbraw/zinc/40/62/39/309406239.db2.gz WZQFZOLYKCJDEV-MBOZVWFJSA-N 2 0 347.934 3.282 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000423740087 309411222 /nfs/dbraw/zinc/41/12/22/309411222.db2.gz IJWBAJRFGPBLEZ-AQNXPRMDSA-N 2 0 343.515 3.017 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000424431779 309443517 /nfs/dbraw/zinc/44/35/17/309443517.db2.gz AOEQGOUPHVBWAU-UHFFFAOYSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1)c1cccc2ccccc21 ZINC000430598394 309612635 /nfs/dbraw/zinc/61/26/35/309612635.db2.gz CXZZMMCGDSMNHZ-HZPDHXFCSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430934872 309621465 /nfs/dbraw/zinc/62/14/65/309621465.db2.gz QZYGLRDMPCZVHV-NWDGAFQWSA-N 2 0 343.393 3.092 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000431844083 309644618 /nfs/dbraw/zinc/64/46/18/309644618.db2.gz KTBUCLJNIUFUPG-ICSRJNTNSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[C@@H](c1ccccc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433137313 309679767 /nfs/dbraw/zinc/67/97/67/309679767.db2.gz SRQFIKQKLDHNBV-FQEVSTJZSA-N 2 0 331.504 3.045 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1F ZINC000433327169 309686224 /nfs/dbraw/zinc/68/62/24/309686224.db2.gz RGKWAJFCPVOGOS-UHFFFAOYSA-N 2 0 328.391 3.160 20 0 EGADRP Brc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000446886418 309970297 /nfs/dbraw/zinc/97/02/97/309970297.db2.gz GJJCKIRODVTJNF-UHFFFAOYSA-N 2 0 329.307 3.475 20 0 EGADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449105917 310037524 /nfs/dbraw/zinc/03/75/24/310037524.db2.gz FUPHJRKNHITGFW-OAFZBRQQSA-N 2 0 334.529 3.137 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449162633 310041471 /nfs/dbraw/zinc/04/14/71/310041471.db2.gz JWMKXOUXMFEJFV-SFHVURJKSA-N 2 0 334.891 3.322 20 0 EGADRP CC1(C)CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000449187914 310043111 /nfs/dbraw/zinc/04/31/11/310043111.db2.gz JRZBMLGFTPODNG-QGZVFWFLSA-N 2 0 335.536 3.209 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000449310765 310052393 /nfs/dbraw/zinc/05/23/93/310052393.db2.gz IILKRDWMUGVUKR-ROUUACIJSA-N 2 0 349.563 3.409 20 0 EGADRP COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC(C)C ZINC000449555578 310071601 /nfs/dbraw/zinc/07/16/01/310071601.db2.gz IFZAQIPJRGMEOO-AYHJJNSGSA-N 2 0 332.488 3.445 20 0 EGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1n1cccn1 ZINC000449661051 310078346 /nfs/dbraw/zinc/07/83/46/310078346.db2.gz YYCYHSKHQVYYMI-KURKYZTESA-N 2 0 348.535 3.233 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CCC[N@@H+]([C@H](C)CO)CC3)c2c1 ZINC000450478103 310125136 /nfs/dbraw/zinc/12/51/36/310125136.db2.gz ZIKZRMSDLZYPAB-MRXNPFEDSA-N 2 0 327.472 3.080 20 0 EGADRP CC(C)N1CCCC[C@@H]1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643829 310134709 /nfs/dbraw/zinc/13/47/09/310134709.db2.gz ROJXCUFWQIIYLD-OAQYLSRUSA-N 2 0 344.547 3.493 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453107518 310258388 /nfs/dbraw/zinc/25/83/88/310258388.db2.gz LICKBTKQDCFJDT-BHDDXSALSA-N 2 0 341.543 3.361 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453110567 310258806 /nfs/dbraw/zinc/25/88/06/310258806.db2.gz QKBPHSQRUVJJQV-RYFAJOAYSA-N 2 0 339.527 3.256 20 0 EGADRP O[C@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CCN(Cc2ccccc2)C1 ZINC000453113462 310258828 /nfs/dbraw/zinc/25/88/28/310258828.db2.gz DZXQTXFJRANCJO-RTWAWAEBSA-N 2 0 328.500 3.182 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCC1 ZINC000453142787 310260527 /nfs/dbraw/zinc/26/05/27/310260527.db2.gz KXRKUDRLZRNEOG-IBGZPJMESA-N 2 0 331.504 3.036 20 0 EGADRP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000453171985 310262132 /nfs/dbraw/zinc/26/21/32/310262132.db2.gz YCUFHBKTYKDXFV-QMMLZNLJSA-N 2 0 345.531 3.150 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453183617 310262874 /nfs/dbraw/zinc/26/28/74/310262874.db2.gz UTMXGPKBNVQXHE-VSKRKVRLSA-N 3 0 339.527 3.281 20 0 EGADRP C[C@@H](c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453339495 310271851 /nfs/dbraw/zinc/27/18/51/310271851.db2.gz BVMQTQDWRPILPQ-PXNSSMCTSA-N 2 0 332.488 3.191 20 0 EGADRP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)COC1 ZINC000453389741 310274337 /nfs/dbraw/zinc/27/43/37/310274337.db2.gz XOBKCAJVWPBNGF-AQNXPRMDSA-N 2 0 328.500 3.446 20 0 EGADRP C[N@H+](CCCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C1CC1 ZINC000453590064 310283218 /nfs/dbraw/zinc/28/32/18/310283218.db2.gz ABTLFBGQBCDJNE-UHFFFAOYSA-N 2 0 332.879 3.490 20 0 EGADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454263267 310300135 /nfs/dbraw/zinc/30/01/35/310300135.db2.gz KGNWUDMZMADUEB-IRXDYDNUSA-N 2 0 349.523 3.020 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000454280016 310301114 /nfs/dbraw/zinc/30/11/14/310301114.db2.gz SVYKYYWVXFPGLZ-IBGZPJMESA-N 2 0 346.519 3.380 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[NH+]3CCCCCC3)ccc21 ZINC000455876268 310380647 /nfs/dbraw/zinc/38/06/47/310380647.db2.gz BIBTYJKRWVVSCX-IBGZPJMESA-N 2 0 344.503 3.233 20 0 EGADRP CC1CC[NH+](CCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455946179 310383062 /nfs/dbraw/zinc/38/30/62/310383062.db2.gz WWVLEAOKYRVHHK-IBGZPJMESA-N 2 0 344.503 3.089 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000474481603 310794675 /nfs/dbraw/zinc/79/46/75/310794675.db2.gz YIYBZOBMPPNQOJ-LBVWLFBPSA-N 2 0 338.536 3.456 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479557150 310877717 /nfs/dbraw/zinc/87/77/17/310877717.db2.gz NPTYWUGNJQXHDJ-KXBFYZLASA-N 2 0 335.923 3.191 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000488449107 311066148 /nfs/dbraw/zinc/06/61/48/311066148.db2.gz MUHFFIGHABVZRT-XLAORIBOSA-N 2 0 328.566 3.243 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000496101278 311661741 /nfs/dbraw/zinc/66/17/41/311661741.db2.gz DINUSDFEDKRCMO-QZTJIDSGSA-N 2 0 345.487 3.162 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496568706 311731942 /nfs/dbraw/zinc/73/19/42/311731942.db2.gz IPCBUKTYEGEAPC-SJORKVTESA-N 2 0 333.476 3.147 20 0 EGADRP COc1ccccc1CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000505562957 312026250 /nfs/dbraw/zinc/02/62/50/312026250.db2.gz YSFNJTDGRQFRJU-UHFFFAOYSA-N 2 0 346.515 3.062 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721539 312100930 /nfs/dbraw/zinc/10/09/30/312100930.db2.gz VHRHHDOEBOPNBT-SVFBPWRDSA-N 2 0 329.532 3.361 20 0 EGADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190612 /nfs/dbraw/zinc/19/06/12/312190612.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H](C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1)CN1CCOCC1 ZINC000515344198 312277880 /nfs/dbraw/zinc/27/78/80/312277880.db2.gz BELHOFZYHBVSSA-CABCVRRESA-N 2 0 344.421 3.367 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000515777197 312297469 /nfs/dbraw/zinc/29/74/69/312297469.db2.gz YZQOEKNNMXCWJK-YSFYHYPLSA-N 2 0 341.543 3.361 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000516786784 312341986 /nfs/dbraw/zinc/34/19/86/312341986.db2.gz GDYVMDOWLCEORM-INIZCTEOSA-N 2 0 332.492 3.038 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000527197818 312839336 /nfs/dbraw/zinc/83/93/36/312839336.db2.gz OOAXRQVNQQIIMG-DYESRHJHSA-N 2 0 329.532 3.450 20 0 EGADRP COc1ccc(Br)c(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000087789346 454089144 /nfs/dbraw/zinc/08/91/44/454089144.db2.gz GQHVOXGNQZWENE-UHFFFAOYSA-N 2 0 327.266 3.019 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2c(C)cccc2C)[C@@H](C)C1 ZINC000536876428 314151499 /nfs/dbraw/zinc/15/14/99/314151499.db2.gz KXYVSPIHPKCPDN-VQTJNVASSA-N 2 0 348.531 3.409 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000537206607 314168272 /nfs/dbraw/zinc/16/82/72/314168272.db2.gz HRNDZOGDGHTUQS-UHFFFAOYSA-N 2 0 346.515 3.266 20 0 EGADRP CC(C)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000537343923 314175364 /nfs/dbraw/zinc/17/53/64/314175364.db2.gz NYRJOUGSCHZNEE-UZLBHIALSA-N 2 0 329.488 3.355 20 0 EGADRP Cc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000537660077 314200637 /nfs/dbraw/zinc/20/06/37/314200637.db2.gz XMZAUQOPYRPDIB-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992144 314222470 /nfs/dbraw/zinc/22/24/70/314222470.db2.gz YMACMKVTYNPWMF-COPCDDAFSA-N 2 0 343.559 3.389 20 0 EGADRP C[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000538419251 314245800 /nfs/dbraw/zinc/24/58/00/314245800.db2.gz HLOBLTQPYDABCO-KRWDZBQOSA-N 2 0 332.532 3.209 20 0 EGADRP CN(c1ccccc1C[N@@H+]1CC[C@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000538749969 314272500 /nfs/dbraw/zinc/27/25/00/314272500.db2.gz QOHOPFLDQRESAY-SFHVURJKSA-N 2 0 327.516 3.449 20 0 EGADRP CO[C@H](C)[C@@H](C)[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000539295221 314304926 /nfs/dbraw/zinc/30/49/26/314304926.db2.gz LWZDVWZKLLHOLB-FCGDIQPGSA-N 2 0 348.531 3.209 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000540150466 314365454 /nfs/dbraw/zinc/36/54/54/314365454.db2.gz DUMYNAMKPNADBJ-FHERZECASA-N 2 0 336.442 3.180 20 0 EGADRP C[C@H](Cc1ccsc1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000544009984 314667920 /nfs/dbraw/zinc/66/79/20/314667920.db2.gz QXJWNYNWPYKBIF-OKZBNKHCSA-N 2 0 335.561 3.170 20 0 EGADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000548389419 315002855 /nfs/dbraw/zinc/00/28/55/315002855.db2.gz JAIIRHFZSXBJDI-SFHVURJKSA-N 2 0 345.531 3.278 20 0 EGADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000548634923 315029091 /nfs/dbraw/zinc/02/90/91/315029091.db2.gz JEUFDMPGTJKJOI-MFKWGIFDSA-N 2 0 328.500 3.036 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000549229182 315082661 /nfs/dbraw/zinc/08/26/61/315082661.db2.gz XFYQXAGNUORHEO-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCc1oc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C(=O)OC ZINC000549409356 315090719 /nfs/dbraw/zinc/09/07/19/315090719.db2.gz CQCRNEYEKFRIAU-UHFFFAOYSA-N 2 0 336.476 3.181 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000551833323 315171244 /nfs/dbraw/zinc/17/12/44/315171244.db2.gz WMKBEOCTAUOANA-LJQANCHMSA-N 2 0 343.515 3.019 20 0 EGADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193218 /nfs/dbraw/zinc/19/32/18/315193218.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 2 0 341.543 3.361 20 0 EGADRP C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000552163169 315203470 /nfs/dbraw/zinc/20/34/70/315203470.db2.gz ZFJHGIXIYRBCID-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP CC(C)C[C@H](C)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000552560052 315225318 /nfs/dbraw/zinc/22/53/18/315225318.db2.gz DUZLBDXWXRPIOQ-PMACEKPBSA-N 2 0 344.547 3.350 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000554112308 315298652 /nfs/dbraw/zinc/29/86/52/315298652.db2.gz PCCSMCKYMGXREG-HZPDHXFCSA-N 2 0 332.492 3.209 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554346934 315311594 /nfs/dbraw/zinc/31/15/94/315311594.db2.gz KMRRGSZMHVBXTF-QXSJWSMHSA-N 2 0 336.442 3.444 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000554724538 315345878 /nfs/dbraw/zinc/34/58/78/315345878.db2.gz JRIBBDRSWXYIJA-JSXRDJHFSA-N 2 0 327.516 3.143 20 0 EGADRP CC(C)C1CCC(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000554855757 315352595 /nfs/dbraw/zinc/35/25/95/315352595.db2.gz YAALOBXUGWXONM-GKYDQMIMSA-N 2 0 335.580 3.407 20 0 EGADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000556877977 315478989 /nfs/dbraw/zinc/47/89/89/315478989.db2.gz YIKHUCPICZSMSH-ICSRJNTNSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000560251782 315669279 /nfs/dbraw/zinc/66/92/79/315669279.db2.gz SYGRVRBTWOUWSY-FGZHOGPDSA-N 2 0 343.559 3.178 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000563397439 316014374 /nfs/dbraw/zinc/01/43/74/316014374.db2.gz KOHRGOFYXUQKDR-UHFFFAOYSA-N 2 0 345.531 3.129 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3[NH2+]CCCC3(C)C)ccc21 ZINC000563496635 316028529 /nfs/dbraw/zinc/02/85/29/316028529.db2.gz IGJKCARYACFGBD-MSOLQXFVSA-N 2 0 344.503 3.135 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c(C)c1 ZINC000564454073 316155100 /nfs/dbraw/zinc/15/51/00/316155100.db2.gz SYOJJOJIIWKYQH-MRXNPFEDSA-N 2 0 325.456 3.269 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3C[NH2+]Cc4ccccc43)n2)cc1 ZINC000564727348 316195366 /nfs/dbraw/zinc/19/53/66/316195366.db2.gz UKZQQTFQKZTWDG-SFHVURJKSA-N 2 0 334.423 3.033 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000564929101 316233114 /nfs/dbraw/zinc/23/31/14/316233114.db2.gz BSYGFHBVLCIZRS-MOPGFXCFSA-N 2 0 343.515 3.190 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3CCCC[C@H]3O)C2)s1 ZINC000565049427 316255694 /nfs/dbraw/zinc/25/56/94/316255694.db2.gz PQJBISRBSITQSR-ZHALLVOQSA-N 2 0 336.545 3.361 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000565226327 316294207 /nfs/dbraw/zinc/29/42/07/316294207.db2.gz JUSMUVQJZIULAD-GHMZBOCLSA-N 2 0 336.789 3.025 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000565226000 316294369 /nfs/dbraw/zinc/29/43/69/316294369.db2.gz IMDKBQCEIWJNKS-YSIASYRMSA-N 2 0 337.467 3.096 20 0 EGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000565813083 316372763 /nfs/dbraw/zinc/37/27/63/316372763.db2.gz SKCYSVVNCYRERS-SLFFLAALSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000567423915 316615597 /nfs/dbraw/zinc/61/55/97/316615597.db2.gz IHDBXCXTEPZVTL-VQTJNVASSA-N 2 0 343.559 3.360 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000570475293 317061185 /nfs/dbraw/zinc/06/11/85/317061185.db2.gz DCXQUUOFIIRGBV-KYHPRHEASA-N 2 0 349.494 3.184 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000570625985 317083087 /nfs/dbraw/zinc/08/30/87/317083087.db2.gz TWQRDWWUZFVHTE-OAHLLOKOSA-N 2 0 337.895 3.379 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000570797919 317109504 /nfs/dbraw/zinc/10/95/04/317109504.db2.gz PBIOFDMTLNCJEG-GGPKGHCWSA-N 2 0 345.531 3.341 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000571916189 317265403 /nfs/dbraw/zinc/26/54/03/317265403.db2.gz VKMMJPRBLPVHIG-NEWSRXKRSA-N 2 0 343.515 3.154 20 0 EGADRP CN(Cc1cccc(O)c1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000572065352 317285569 /nfs/dbraw/zinc/28/55/69/317285569.db2.gz MAOOLOFQAVURJQ-NRFANRHFSA-N 2 0 340.467 3.115 20 0 EGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000572148944 317298598 /nfs/dbraw/zinc/29/85/98/317298598.db2.gz KWMGIZXFRXQLOO-YLJYHZDGSA-N 2 0 348.531 3.145 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000572257782 317313768 /nfs/dbraw/zinc/31/37/68/317313768.db2.gz VEHRHUKHHIUFMA-WVLNKYAVSA-N 2 0 332.488 3.171 20 0 EGADRP CN1CC[C@H]([NH2+]CCc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000572666667 317372470 /nfs/dbraw/zinc/37/24/70/317372470.db2.gz UNZDNMLLDRBORC-AZUAARDMSA-N 2 0 334.467 3.302 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCOC3(C)C)CC2)c1 ZINC000573550214 317500155 /nfs/dbraw/zinc/50/01/55/317500155.db2.gz QPXJKSHYAWVHOF-HXUWFJFHSA-N 2 0 345.531 3.054 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)CC1CCCCC1 ZINC000574564452 317612151 /nfs/dbraw/zinc/61/21/51/317612151.db2.gz KVAGWQFDIYDDJF-VQTJNVASSA-N 2 0 343.515 3.237 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000236810768 456187166 /nfs/dbraw/zinc/18/71/66/456187166.db2.gz WAVRIXXPHYOMIH-IRXDYDNUSA-N 2 0 339.911 3.357 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ncc(CN(C)C)s2)CC1 ZINC000352763811 456284594 /nfs/dbraw/zinc/28/45/94/456284594.db2.gz HNYRXQOCZOQORB-UHFFFAOYSA-N 2 0 338.565 3.052 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000345168213 323947946 /nfs/dbraw/zinc/94/79/46/323947946.db2.gz SPTHVZGMIYKWAY-KZNAEPCWSA-N 2 0 326.488 3.018 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4COc5ccccc5C4)[C@@H]3C2)cc1 ZINC000380816693 324244616 /nfs/dbraw/zinc/24/46/16/324244616.db2.gz DPUFIQWIVIPHCU-KJJMTIBFSA-N 2 0 348.490 3.490 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000382028046 324248723 /nfs/dbraw/zinc/24/87/23/324248723.db2.gz BXBYPKGXOSNZFM-OAHLLOKOSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000382778698 324253591 /nfs/dbraw/zinc/25/35/91/324253591.db2.gz YFFKNOXWLFITRF-QBPKDAKJSA-N 2 0 339.524 3.094 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495122363 324377059 /nfs/dbraw/zinc/37/70/59/324377059.db2.gz KCKYNUAQRMAHKT-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)Cc1cccc(Cl)c1 ZINC000575917013 324507879 /nfs/dbraw/zinc/50/78/79/324507879.db2.gz FRAQEFXONFHWFD-LJQANCHMSA-N 2 0 338.923 3.489 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)C1 ZINC000578337582 324955196 /nfs/dbraw/zinc/95/51/96/324955196.db2.gz KWGDHYKRSGFARE-RBUKOAKNSA-N 2 0 334.467 3.444 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000578994874 325047119 /nfs/dbraw/zinc/04/71/19/325047119.db2.gz VPLCYVAULHQCHF-QLFBSQMISA-N 2 0 340.414 3.307 20 0 EGADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000579254485 325085578 /nfs/dbraw/zinc/08/55/78/325085578.db2.gz KZBAOYYEGZAREC-XLIONFOSSA-N 2 0 326.484 3.109 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000579822831 325163121 /nfs/dbraw/zinc/16/31/21/325163121.db2.gz ZTRJTJYVDKMEIN-BPUTZDHNSA-N 2 0 337.533 3.075 20 0 EGADRP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580315409 325233880 /nfs/dbraw/zinc/23/38/80/325233880.db2.gz HKDATTWUEVBIST-GJZGRUSLSA-N 2 0 330.451 3.017 20 0 EGADRP FC(F)n1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580895680 325306841 /nfs/dbraw/zinc/30/68/41/325306841.db2.gz MLQPIAMBHYXUMJ-KBPBESRZSA-N 2 0 334.414 3.253 20 0 EGADRP [NH3+][C@H](CCC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000237917882 455234001 /nfs/dbraw/zinc/23/40/01/455234001.db2.gz ZWRAINMIEMSWOS-LJQANCHMSA-N 2 0 331.504 3.239 20 0 EGADRP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCCCC1 ZINC000237927349 455234554 /nfs/dbraw/zinc/23/45/54/455234554.db2.gz GFYWGHXZEHQJEC-UHFFFAOYSA-N 2 0 343.515 3.340 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000158025449 455260163 /nfs/dbraw/zinc/26/01/63/455260163.db2.gz NEMGJQOPHGJTDC-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000245540762 455325814 /nfs/dbraw/zinc/32/58/14/455325814.db2.gz MYTUNUUYVTZBHQ-AZUAARDMSA-N 2 0 332.488 3.018 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)CCc2ccccc2)CC[NH2+]CC1 ZINC000600712730 460574588 /nfs/dbraw/zinc/57/45/88/460574588.db2.gz XOXQOBIZEHXWAY-PKOBYXMFSA-N 2 0 346.515 3.309 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)c2ccccc2)CC1 ZINC000075944236 453941193 /nfs/dbraw/zinc/94/11/93/453941193.db2.gz ZELSQIRVKZWFGE-JOCHJYFZSA-N 2 0 348.494 3.246 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C)c1 ZINC000076329435 453989114 /nfs/dbraw/zinc/98/91/14/453989114.db2.gz WDYUZYKZHZSJDB-LJQANCHMSA-N 2 0 346.519 3.183 20 0 EGADRP Oc1ccc(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000069062892 454076550 /nfs/dbraw/zinc/07/65/50/454076550.db2.gz FLYVCXLKMZWWHR-UHFFFAOYSA-N 2 0 340.467 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000069090864 454078741 /nfs/dbraw/zinc/07/87/41/454078741.db2.gz GDHYLLHLYBQINE-KRWDZBQOSA-N 2 0 331.504 3.019 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC(F)F ZINC000058061031 454162236 /nfs/dbraw/zinc/16/22/36/454162236.db2.gz WTVHXYSNALWPQM-AWEZNQCLSA-N 2 0 328.403 3.117 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000191013177 455424116 /nfs/dbraw/zinc/42/41/16/455424116.db2.gz YVPHQCJNGXNKOW-UHFFFAOYSA-N 2 0 343.437 3.129 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000059384477 454258521 /nfs/dbraw/zinc/25/85/21/454258521.db2.gz NLAYTGOEXJTLAY-ROUUACIJSA-N 2 0 345.531 3.123 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634967537 460633716 /nfs/dbraw/zinc/63/37/16/460633716.db2.gz QNBOMAWTEPXHHY-UHFFFAOYSA-N 2 0 326.488 3.478 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121085177 454388696 /nfs/dbraw/zinc/38/86/96/454388696.db2.gz SMJKHLFXASLTFU-INIZCTEOSA-N 2 0 338.923 3.481 20 0 EGADRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000121140146 454397553 /nfs/dbraw/zinc/39/75/53/454397553.db2.gz OAUUKDGQKPTXEF-GHTZIAJQSA-N 2 0 347.547 3.400 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000121265994 454413450 /nfs/dbraw/zinc/41/34/50/454413450.db2.gz VDEFQTOFLUVHBL-GJZGRUSLSA-N 2 0 341.902 3.403 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000047973476 454426493 /nfs/dbraw/zinc/42/64/93/454426493.db2.gz OMHZZNAOZZJLIM-UHFFFAOYSA-N 2 0 326.488 3.492 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000091334798 454429103 /nfs/dbraw/zinc/42/91/03/454429103.db2.gz DWDDBADSHCGMSM-UZLBHIALSA-N 2 0 333.495 3.283 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121445078 454436720 /nfs/dbraw/zinc/43/67/20/454436720.db2.gz WOLANWJGZATAQM-DLBZAZTESA-N 2 0 344.503 3.119 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000101653262 454478763 /nfs/dbraw/zinc/47/87/63/454478763.db2.gz BWURXVFNXCHNOT-CALCHBBNSA-N 2 0 345.531 3.235 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CCC(F)(F)F)CC1 ZINC000092479473 454572683 /nfs/dbraw/zinc/57/26/83/454572683.db2.gz CBWILWGBLOCJAB-UHFFFAOYSA-N 2 0 329.410 3.213 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122909964 454581203 /nfs/dbraw/zinc/58/12/03/454581203.db2.gz FTQATQNSVVLSTP-VQTJNVASSA-N 2 0 329.532 3.186 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000092746323 454623735 /nfs/dbraw/zinc/62/37/35/454623735.db2.gz CSWITFUJXQXBLL-GDBMZVCRSA-N 2 0 339.549 3.411 20 0 EGADRP CC(C)CCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000105476923 454640524 /nfs/dbraw/zinc/64/05/24/454640524.db2.gz ASIMCSKPPUMNCI-UHFFFAOYSA-N 2 0 347.547 3.229 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000635006757 460649410 /nfs/dbraw/zinc/64/94/10/460649410.db2.gz SMYUUNAQQRBJNS-GLOJMNGXSA-N 3 0 341.543 3.394 20 0 EGADRP CCc1nc2c(s1)[C@H]([NH2+]CCc1cn3c(n1)CCCC3)CCC2 ZINC000152780387 454725043 /nfs/dbraw/zinc/72/50/43/454725043.db2.gz XNTSCMITTPGZHO-CQSZACIVSA-N 2 0 330.501 3.448 20 0 EGADRP CC(C)c1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000093734924 454731924 /nfs/dbraw/zinc/73/19/24/454731924.db2.gz PYDYLNYLTLOGGM-UHFFFAOYSA-N 2 0 337.533 3.343 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635007838 460651603 /nfs/dbraw/zinc/65/16/03/460651603.db2.gz BNDHPJDAIQKLMJ-TZMCWYRMSA-N 2 0 325.522 3.069 20 0 EGADRP CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000124652319 454756785 /nfs/dbraw/zinc/75/67/85/454756785.db2.gz PYFKCQBKQNSSEL-PKOBYXMFSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162189111 454757493 /nfs/dbraw/zinc/75/74/93/454757493.db2.gz PPPVUVNIHBXLCF-XHBSWPGZSA-N 2 0 343.284 3.449 20 0 EGADRP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000153117298 454761914 /nfs/dbraw/zinc/76/19/14/454761914.db2.gz FHUWNWQUJZPZCQ-DLBZAZTESA-N 2 0 331.847 3.024 20 0 EGADRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000124705356 454762685 /nfs/dbraw/zinc/76/26/85/454762685.db2.gz JYXDSGAXWAPGDL-ULQDDVLXSA-N 2 0 326.488 3.227 20 0 EGADRP c1ccc(CCN2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000635011109 460654089 /nfs/dbraw/zinc/65/40/89/460654089.db2.gz OZTASFWJTWNJKK-UHFFFAOYSA-N 2 0 349.522 3.129 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000162590765 454786436 /nfs/dbraw/zinc/78/64/36/454786436.db2.gz SHIXVXPUICJNBG-INIZCTEOSA-N 2 0 330.476 3.255 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000108428772 454797781 /nfs/dbraw/zinc/79/77/81/454797781.db2.gz HWRVTFQRPHLLEA-HNNXBMFYSA-N 2 0 348.441 3.199 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000153599330 454810576 /nfs/dbraw/zinc/81/05/76/454810576.db2.gz RVPLUHPVOJCVOV-XLIONFOSSA-N 2 0 329.532 3.407 20 0 EGADRP COc1cc(CN2CC[C@H](C[NH+](C)C)C2)ccc1OCC(F)(F)F ZINC000125501982 454827466 /nfs/dbraw/zinc/82/74/66/454827466.db2.gz BRWZQQUZNOVGRD-CQSZACIVSA-N 2 0 346.393 3.020 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)CN1CC[NH+](C)CC1 ZINC000177293966 454847293 /nfs/dbraw/zinc/84/72/93/454847293.db2.gz NVCNCUWXBQXPAI-ROUUACIJSA-N 2 0 325.500 3.374 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000126010185 454863717 /nfs/dbraw/zinc/86/37/17/454863717.db2.gz ZXEGAGGAOBYOLX-WMLDXEAASA-N 2 0 340.533 3.107 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000154188736 454873158 /nfs/dbraw/zinc/87/31/58/454873158.db2.gz ZALWNFHMYRDDOF-NTZNESFSSA-N 2 0 331.323 3.371 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)c1ccccc1 ZINC000246387067 455481047 /nfs/dbraw/zinc/48/10/47/455481047.db2.gz ITNZTCMHOKCAFW-QUCCMNQESA-N 2 0 345.531 3.164 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177677240 454891042 /nfs/dbraw/zinc/89/10/42/454891042.db2.gz DYYQFXYFQLONBR-IBGZPJMESA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126684940 454911442 /nfs/dbraw/zinc/91/14/42/454911442.db2.gz UXMQOVFLIQUUMT-JPYJTQIMSA-N 2 0 349.522 3.457 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166493900 454912821 /nfs/dbraw/zinc/91/28/21/454912821.db2.gz RLVZZCKUKMKLNK-NQIIRXRSSA-N 2 0 329.532 3.236 20 0 EGADRP CCCCC[N@H+](CCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000126884643 454924839 /nfs/dbraw/zinc/92/48/39/454924839.db2.gz CXBYGBSMMMSBKX-UHFFFAOYSA-N 2 0 347.547 3.202 20 0 EGADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000168769242 454927535 /nfs/dbraw/zinc/92/75/35/454927535.db2.gz IPBJICYMUUFOEE-RTBURBONSA-N 2 0 347.503 3.253 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151045768 454930121 /nfs/dbraw/zinc/93/01/21/454930121.db2.gz PAPVDMAWGVSKPY-GJYPPUQNSA-N 2 0 329.488 3.022 20 0 EGADRP COc1ccc(CC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000170689612 454958122 /nfs/dbraw/zinc/95/81/22/454958122.db2.gz KXCKLJZQPWKMCE-ROUUACIJSA-N 2 0 346.515 3.059 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc12 ZINC000127442084 454964508 /nfs/dbraw/zinc/96/45/08/454964508.db2.gz HFOPFSWCVXZYEI-IAGOWNOFSA-N 2 0 341.499 3.135 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000155119023 454965310 /nfs/dbraw/zinc/96/53/10/454965310.db2.gz IYUIDSWDAMLGID-OLZOCXBDSA-N 2 0 330.303 3.280 20 0 EGADRP COCCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178758824 454974223 /nfs/dbraw/zinc/97/42/23/454974223.db2.gz PCWPYHLTZBFVMF-HOTGVXAUSA-N 2 0 337.483 3.043 20 0 EGADRP COCCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178758837 454974407 /nfs/dbraw/zinc/97/44/07/454974407.db2.gz PCWPYHLTZBFVMF-CVEARBPZSA-N 2 0 337.483 3.043 20 0 EGADRP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127803747 454999482 /nfs/dbraw/zinc/99/94/82/454999482.db2.gz VEULSVUCGUDCRZ-MOPGFXCFSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCCCC(F)(F)F)CC1 ZINC000151661935 455014118 /nfs/dbraw/zinc/01/41/18/455014118.db2.gz UKBVKJZFFPSPOZ-HZPDHXFCSA-N 2 0 335.458 3.209 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2oc3ccccc3c2C)CC1 ZINC000155610859 455021809 /nfs/dbraw/zinc/02/18/09/455021809.db2.gz IHAGAJGBQPAJDT-NVXWUHKLSA-N 2 0 329.488 3.418 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000155720328 455035536 /nfs/dbraw/zinc/03/55/36/455035536.db2.gz IQNZADDPMVMVTI-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000128444794 455057195 /nfs/dbraw/zinc/05/71/95/455057195.db2.gz YDJAYNZJJRPVDU-AWEZNQCLSA-N 2 0 327.875 3.157 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000600965635 460659234 /nfs/dbraw/zinc/65/92/34/460659234.db2.gz RCKPOLTZXJZZRV-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128500498 455062158 /nfs/dbraw/zinc/06/21/58/455062158.db2.gz DCGHZIMAKFPZOF-GOSISDBHSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000155991908 455070017 /nfs/dbraw/zinc/07/00/17/455070017.db2.gz IQYZOBRFBONGGE-HXUWFJFHSA-N 2 0 339.483 3.089 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1)C(C)C ZINC000152109132 455073674 /nfs/dbraw/zinc/07/36/74/455073674.db2.gz VPRPDGYEOYLFDO-FQEVSTJZSA-N 2 0 339.483 3.347 20 0 EGADRP Fc1cccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000156706177 455145773 /nfs/dbraw/zinc/14/57/73/455145773.db2.gz XGNFCFDJQXPZOV-NSHDSACASA-N 2 0 327.241 3.162 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000156856969 455153565 /nfs/dbraw/zinc/15/35/65/455153565.db2.gz RLLOJQRGGAENDG-PBHICJAKSA-N 2 0 346.450 3.128 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805849 455168419 /nfs/dbraw/zinc/16/84/19/455168419.db2.gz ZMCGOAOGXBRJNE-MDZRGWNJSA-N 2 0 333.545 3.376 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(F)cc1 ZINC000157158483 455168755 /nfs/dbraw/zinc/16/87/55/455168755.db2.gz ZMNOGKNYBBUSJO-SFHVURJKSA-N 2 0 333.451 3.105 20 0 EGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000157168506 455169941 /nfs/dbraw/zinc/16/99/41/455169941.db2.gz SWKCWUWWXLUMBD-GOSISDBHSA-N 2 0 349.906 3.109 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000180439196 455170248 /nfs/dbraw/zinc/17/02/48/455170248.db2.gz DJMCIEKOBXAGAR-AZUAARDMSA-N 2 0 349.588 3.276 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000180457470 455173827 /nfs/dbraw/zinc/17/38/27/455173827.db2.gz AVZWLACYDPNXRH-UHFFFAOYSA-N 2 0 348.878 3.395 20 0 EGADRP CCc1ccc(NC(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157268626 455178497 /nfs/dbraw/zinc/17/84/97/455178497.db2.gz ZWGNFJWOWMGUHQ-IBGZPJMESA-N 2 0 329.488 3.138 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237526504 455191952 /nfs/dbraw/zinc/19/19/52/455191952.db2.gz FTSGHTLCFJWWDR-INIZCTEOSA-N 2 0 329.488 3.389 20 0 EGADRP CCc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc(-c2ccncc2)n1 ZINC000264362304 455197533 /nfs/dbraw/zinc/19/75/33/455197533.db2.gz BVKLSAXOHNPHDL-INIZCTEOSA-N 2 0 337.427 3.409 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157588181 455210167 /nfs/dbraw/zinc/21/01/67/455210167.db2.gz HYYRKSRJOFHNSS-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000237711960 455210844 /nfs/dbraw/zinc/21/08/44/455210844.db2.gz VIHIBBUZHJPDHK-FPOVZHCZSA-N 2 0 329.532 3.363 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CCCCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000237787204 455218434 /nfs/dbraw/zinc/21/84/34/455218434.db2.gz NQFZPHPYULHZRL-IBGZPJMESA-N 2 0 331.504 3.157 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000245580235 455335158 /nfs/dbraw/zinc/33/51/58/455335158.db2.gz GVEHFAAUQMMCPF-NUJGCVRESA-N 2 0 334.504 3.202 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000181519728 455348101 /nfs/dbraw/zinc/34/81/01/455348101.db2.gz BWQQTYGMJSXIJM-QQMNAOGKSA-N 2 0 336.545 3.443 20 0 EGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828965 455388873 /nfs/dbraw/zinc/38/88/73/455388873.db2.gz ZVLTUJQPWFQIKS-SIKLNZKXSA-N 2 0 349.478 3.141 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C[C@H]1OC ZINC000181948054 455402839 /nfs/dbraw/zinc/40/28/39/455402839.db2.gz CAZFZDLQJAGQRU-QZTJIDSGSA-N 2 0 338.536 3.205 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH+](CC(C)(C)C)CC(C)(C)C)CC1 ZINC000182080897 455430395 /nfs/dbraw/zinc/43/03/95/455430395.db2.gz PEPZPNUGXKTSGQ-UHFFFAOYSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246182785 455443141 /nfs/dbraw/zinc/44/31/41/455443141.db2.gz KPGLDIBEPQXZCL-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182249645 455471633 /nfs/dbraw/zinc/47/16/33/455471633.db2.gz WYZBXEALIIMALV-OAQYLSRUSA-N 2 0 332.532 3.424 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000246832463 455528063 /nfs/dbraw/zinc/52/80/63/455528063.db2.gz BTIOXDBXXIVDKI-IZZBFERCSA-N 2 0 331.548 3.258 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246878197 455532696 /nfs/dbraw/zinc/53/26/96/455532696.db2.gz DUNVTUYXTGCENA-RXVVDRJESA-N 3 0 329.532 3.491 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000247166962 455568370 /nfs/dbraw/zinc/56/83/70/455568370.db2.gz ULHWWBCSZSHVRS-BQFCYCMXSA-N 2 0 348.487 3.203 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000268026168 455582112 /nfs/dbraw/zinc/58/21/12/455582112.db2.gz KVZDUWXMHZIWJJ-UHFFFAOYSA-N 2 0 345.512 3.062 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000182778013 455585675 /nfs/dbraw/zinc/58/56/75/455585675.db2.gz VKNMMIKVYIGOCS-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP COc1ccc([C@@H](C[NH+](C)C)NCc2cnc3ccc(C)cn23)cc1 ZINC000283910130 455610821 /nfs/dbraw/zinc/61/08/21/455610821.db2.gz IGLKVAQJRFKTHD-LJQANCHMSA-N 2 0 338.455 3.044 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000271476509 455652045 /nfs/dbraw/zinc/65/20/45/455652045.db2.gz JSPVSYNLERCRDR-CQDKDKBSSA-N 2 0 331.287 3.347 20 0 EGADRP CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247977874 455665086 /nfs/dbraw/zinc/66/50/86/455665086.db2.gz LOZXCDGDPRFGKH-ZBFHGGJFSA-N 2 0 333.501 3.304 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OCC ZINC000248044599 455675419 /nfs/dbraw/zinc/67/54/19/455675419.db2.gz UOWJMUMEBSNYNE-JFIYKMOQSA-N 2 0 334.504 3.345 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186107426 455695617 /nfs/dbraw/zinc/69/56/17/455695617.db2.gz OKXHCVSXSPJISY-AZUAARDMSA-N 2 0 329.532 3.296 20 0 EGADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192800535 455695989 /nfs/dbraw/zinc/69/59/89/455695989.db2.gz PPIVTWOHJODKHZ-OAQYLSRUSA-N 2 0 329.532 3.239 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000186152185 455703951 /nfs/dbraw/zinc/70/39/51/455703951.db2.gz QXTAKKYMRYWBNB-OXJNMPFZSA-N 2 0 329.532 3.154 20 0 EGADRP Cc1cc(NC(=O)N2CCC(Oc3ccncc3C)CC2)ccn1 ZINC000277948492 455717671 /nfs/dbraw/zinc/71/76/71/455717671.db2.gz JJTNRSVVSRWECX-UHFFFAOYSA-N 2 0 326.400 3.169 20 0 EGADRP CC(C)c1nnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292672437 455727953 /nfs/dbraw/zinc/72/79/53/455727953.db2.gz CISSADRJNWPLAC-QGZVFWFLSA-N 2 0 341.503 3.318 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616995209 460692923 /nfs/dbraw/zinc/69/29/23/460692923.db2.gz NAPUBBMUUQOJMD-PKOBYXMFSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000271767387 455753020 /nfs/dbraw/zinc/75/30/20/455753020.db2.gz FGCOFACCIHXHEZ-RDJZCZTQSA-N 2 0 331.460 3.168 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2([S@](C)=O)CCC2)CC1 ZINC000284952680 455766877 /nfs/dbraw/zinc/76/68/77/455766877.db2.gz FFKJUKXEMASJOF-MORLXBONSA-N 2 0 348.556 3.320 20 0 EGADRP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000249748150 455773399 /nfs/dbraw/zinc/77/33/99/455773399.db2.gz FIKNLFDROBTZPV-ZWKOTPCHSA-N 2 0 345.531 3.169 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000285032071 455780050 /nfs/dbraw/zinc/78/00/50/455780050.db2.gz HTKQBLOICFZZQK-OFLPRAFFSA-N 2 0 344.421 3.333 20 0 EGADRP COCCC[NH+]1CCC(N[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194017393 455791862 /nfs/dbraw/zinc/79/18/62/455791862.db2.gz MTKXFSJEANEYKF-GOSISDBHSA-N 2 0 340.895 3.118 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cncc(Br)c2)C1 ZINC000186590812 455801125 /nfs/dbraw/zinc/80/11/25/455801125.db2.gz RSSVTFPADOZPHU-CQSZACIVSA-N 2 0 340.309 3.446 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000269175735 455803875 /nfs/dbraw/zinc/80/38/75/455803875.db2.gz ILIUHMIGFBHVSE-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP COc1ccc(C(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000285283150 455816787 /nfs/dbraw/zinc/81/67/87/455816787.db2.gz AQNGGVDMEVFTPD-FXAWDEMLSA-N 2 0 342.483 3.217 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278376452 455833724 /nfs/dbraw/zinc/83/37/24/455833724.db2.gz DWDSVMAGISSTHW-GHTZIAJQSA-N 3 0 341.543 3.361 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000269384204 455847206 /nfs/dbraw/zinc/84/72/06/455847206.db2.gz AETXXZOTYNYJLV-UHFFFAOYSA-N 2 0 348.384 3.169 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@]3(CCN(CC[NH+]4CCCCC4)C3)C2)cc1 ZINC000285480224 455854556 /nfs/dbraw/zinc/85/45/56/455854556.db2.gz IBTFXIIJODXWJS-OAQYLSRUSA-N 2 0 327.516 3.070 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)Cc1ccccc1 ZINC000296192753 455876395 /nfs/dbraw/zinc/87/63/95/455876395.db2.gz YOVVPSRLXGBKDM-NEWSRXKRSA-N 2 0 326.488 3.432 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@H](C)n2ccnc21)Cc1ccccc1 ZINC000296192759 455876570 /nfs/dbraw/zinc/87/65/70/455876570.db2.gz YOVVPSRLXGBKDM-WDSOQIARSA-N 2 0 326.488 3.432 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC(F)F ZINC000261600207 455910397 /nfs/dbraw/zinc/91/03/97/455910397.db2.gz AZXGMHXUSDCFTN-KKUMJFAQSA-N 2 0 340.414 3.246 20 0 EGADRP Brc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261657042 455921939 /nfs/dbraw/zinc/92/19/39/455921939.db2.gz KDWQYGDRSXXLDD-QGZVFWFLSA-N 2 0 346.272 3.183 20 0 EGADRP Cc1nc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272378430 455930795 /nfs/dbraw/zinc/93/07/95/455930795.db2.gz BMOLYBYCHXWUQB-QAPCUYQASA-N 2 0 329.513 3.494 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261710797 455931952 /nfs/dbraw/zinc/93/19/52/455931952.db2.gz KXZSDTZYUSUINI-TZMCWYRMSA-N 2 0 328.403 3.246 20 0 EGADRP COc1cccc([C@H](CN[C@H](C)C[C@H]2CCCCC[NH2+]2)[NH+](C)C)c1 ZINC000261753490 455941194 /nfs/dbraw/zinc/94/11/94/455941194.db2.gz UZGZVEGWHFKWRF-POAQFYNOSA-N 2 0 333.520 3.198 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2)C1 ZINC000261783508 455947863 /nfs/dbraw/zinc/94/78/63/455947863.db2.gz BKYQNIFURYIIRM-IRXDYDNUSA-N 2 0 329.488 3.247 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280343528 455951109 /nfs/dbraw/zinc/95/11/09/455951109.db2.gz QWIIKNWMGRGKQY-SJLPKXTDSA-N 2 0 332.488 3.076 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CC[C@H]2CC[NH2+]C2)CCCC1)c1ccccc1 ZINC000261917004 455972086 /nfs/dbraw/zinc/97/20/86/455972086.db2.gz XDQCASGWNAQGOE-MSOLQXFVSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)(CCCO)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272571088 455997606 /nfs/dbraw/zinc/99/76/06/455997606.db2.gz PBMYXTFLHJGBIP-SLFFLAALSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000188118639 456001410 /nfs/dbraw/zinc/00/14/10/456001410.db2.gz MXNGXGJUTZEKOU-ZFWWWQNUSA-N 2 0 337.305 3.454 20 0 EGADRP Cc1nccn1CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272606650 456011844 /nfs/dbraw/zinc/01/18/44/456011844.db2.gz VJTPKHFJODDXBL-QHAWAJNXSA-N 2 0 338.499 3.082 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000262364100 456028917 /nfs/dbraw/zinc/02/89/17/456028917.db2.gz KWCZJMPOKDJSKD-LNLFQRSKSA-N 2 0 345.531 3.400 20 0 EGADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272677535 456036304 /nfs/dbraw/zinc/03/63/04/456036304.db2.gz MFZKMMUCMDWRJZ-UYVXCEDXSA-N 2 0 348.556 3.034 20 0 EGADRP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262443135 456037248 /nfs/dbraw/zinc/03/72/48/456037248.db2.gz TVOXJTIRRINOCV-QKLQHJQFSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000262492640 456041012 /nfs/dbraw/zinc/04/10/12/456041012.db2.gz ZRFZMJXREXVMJQ-BZSNNMDCSA-N 2 0 343.515 3.065 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000272717537 456051002 /nfs/dbraw/zinc/05/10/02/456051002.db2.gz DKXMXAWIEUIQTP-IEBWSBKVSA-N 2 0 342.508 3.482 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000272717533 456051134 /nfs/dbraw/zinc/05/11/34/456051134.db2.gz DKXMXAWIEUIQTP-HKUYNNGSSA-N 2 0 342.508 3.482 20 0 EGADRP C[C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000262662215 456051210 /nfs/dbraw/zinc/05/12/10/456051210.db2.gz YVUPRNGITKKRTM-IXDOHACOSA-N 2 0 349.544 3.027 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCO[C@H]2CCOC2)CC1 ZINC000281035095 456116381 /nfs/dbraw/zinc/11/63/81/456116381.db2.gz PNMVOLYBBHTXFA-CBNMVNINSA-N 2 0 346.515 3.215 20 0 EGADRP c1n[nH]cc1CC[NH2+][C@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000289866380 456160479 /nfs/dbraw/zinc/16/04/79/456160479.db2.gz RGCTYYXZSQJPLB-HBMCJLEFSA-N 2 0 338.499 3.233 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236707747 456173174 /nfs/dbraw/zinc/17/31/74/456173174.db2.gz FXPKGDRZJKDLDL-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000297301239 456179178 /nfs/dbraw/zinc/17/91/78/456179178.db2.gz ADIBAYWNEQKWRD-OAQYLSRUSA-N 2 0 329.532 3.156 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Oc1ccccc1F ZINC000297350197 456196287 /nfs/dbraw/zinc/19/62/87/456196287.db2.gz FDZYNTBJFUQQGA-HNNXBMFYSA-N 2 0 329.419 3.247 20 0 EGADRP CC1(C)CN(C(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000236911169 456199991 /nfs/dbraw/zinc/19/99/91/456199991.db2.gz FVLJULYQKYGJQF-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000236956010 456208649 /nfs/dbraw/zinc/20/86/49/456208649.db2.gz GNXNTDYHSDRDKE-IBGZPJMESA-N 2 0 327.516 3.270 20 0 EGADRP CCOC(=O)CCCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271312043 456216133 /nfs/dbraw/zinc/21/61/33/456216133.db2.gz IFIMVGILSARJJA-UHFFFAOYSA-N 2 0 347.503 3.353 20 0 EGADRP Cc1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c(C[NH+](C)C)c1 ZINC000237036629 456222488 /nfs/dbraw/zinc/22/24/88/456222488.db2.gz OERCNGFNQDFBJT-SFHVURJKSA-N 2 0 325.456 3.475 20 0 EGADRP COCCC1(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000189093492 456224123 /nfs/dbraw/zinc/22/41/23/456224123.db2.gz YTCNZKMZHIYVBM-RTBURBONSA-N 2 0 340.552 3.452 20 0 EGADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000237138167 456237193 /nfs/dbraw/zinc/23/71/93/456237193.db2.gz IKJKOTYGLADPDF-AWEZNQCLSA-N 2 0 345.830 3.351 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189154385 456241489 /nfs/dbraw/zinc/24/14/89/456241489.db2.gz GCDAHWRRHKDJMY-NHCUHLMSSA-N 2 0 329.532 3.015 20 0 EGADRP COCCOCc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000290159970 456255450 /nfs/dbraw/zinc/25/54/50/456255450.db2.gz XJROALVBRMRJEN-OAQYLSRUSA-N 2 0 346.515 3.300 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000297635440 456268523 /nfs/dbraw/zinc/26/85/23/456268523.db2.gz IARFDLUHJFMROS-QGZVFWFLSA-N 2 0 343.515 3.446 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275657547 456279113 /nfs/dbraw/zinc/27/91/13/456279113.db2.gz FPTFQMLYIXZONM-GIVPXCGWSA-N 2 0 329.532 3.112 20 0 EGADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340190868 456302680 /nfs/dbraw/zinc/30/26/80/456302680.db2.gz IVLSKAJOSAJTHK-RTWAWAEBSA-N 2 0 327.516 3.286 20 0 EGADRP CN(CCC[NH+]1CCCC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000281730272 456303537 /nfs/dbraw/zinc/30/35/37/456303537.db2.gz OAAAIOHVFRZVAS-UHFFFAOYSA-N 2 0 343.515 3.230 20 0 EGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000297834146 456305020 /nfs/dbraw/zinc/30/50/20/456305020.db2.gz SAHIQKUGYWGKAU-SFHVURJKSA-N 2 0 344.890 3.483 20 0 EGADRP CCn1nc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000290375659 456308818 /nfs/dbraw/zinc/30/88/18/456308818.db2.gz HUHZNFUTXZTNKT-KRWDZBQOSA-N 2 0 326.488 3.220 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccsc1 ZINC000297880719 456315156 /nfs/dbraw/zinc/31/51/56/456315156.db2.gz VBTUNVCDANFMCG-GOSISDBHSA-N 2 0 345.512 3.280 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C[C@@H]4CCCOC4)CC[C@H]32)cc1 ZINC000342924132 456317095 /nfs/dbraw/zinc/31/70/95/456317095.db2.gz CVFWBXNFRGIYGP-PWRODBHTSA-N 2 0 328.500 3.400 20 0 EGADRP NC(=O)c1c[nH+]ccc1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000302234852 456325010 /nfs/dbraw/zinc/32/50/10/456325010.db2.gz UOEJAPCDALWTGS-UHFFFAOYSA-N 2 0 338.455 3.169 20 0 EGADRP COc1cccc2c(N3CC[NH+](Cc4cccc(O)c4)CC3)ccnc12 ZINC000302382913 456337604 /nfs/dbraw/zinc/33/76/04/456337604.db2.gz AAIKEQMTGGTMEB-UHFFFAOYSA-N 2 0 349.434 3.271 20 0 EGADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352823805 456340277 /nfs/dbraw/zinc/34/02/77/456340277.db2.gz LKRZBTJFZIYMNK-OAQYLSRUSA-N 2 0 344.499 3.174 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1)C(C)C ZINC000281873586 456346774 /nfs/dbraw/zinc/34/67/74/456346774.db2.gz ZQADDMCXLJGBEN-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP CC1CC[NH+](CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000352834882 456350060 /nfs/dbraw/zinc/35/00/60/456350060.db2.gz XPQDICOVZWXSPA-QFIPXVFZSA-N 2 0 341.543 3.316 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000347810605 456380904 /nfs/dbraw/zinc/38/09/04/456380904.db2.gz BARDOJIFTIZVAO-QUCCMNQESA-N 2 0 345.531 3.134 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000343099940 456406949 /nfs/dbraw/zinc/40/69/49/456406949.db2.gz PBEGEMYTLNWHIM-MRXNPFEDSA-N 2 0 331.504 3.065 20 0 EGADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000282139733 456423174 /nfs/dbraw/zinc/42/31/74/456423174.db2.gz CAFUPFFBIGMJBP-CYBMUJFWSA-N 2 0 329.941 3.468 20 0 EGADRP C[N@@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC000340375775 456423477 /nfs/dbraw/zinc/42/34/77/456423477.db2.gz VCDCETLULIVDLA-GKYDQMIMSA-N 2 0 327.516 3.428 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2c(Cl)oc3ccccc32)CC1(C)C ZINC000282264536 456459826 /nfs/dbraw/zinc/45/98/26/456459826.db2.gz HHRGMQYADWAKBL-UHFFFAOYSA-N 2 0 335.879 3.202 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OCC)CCCC2)[C@@H](C)C1 ZINC000340466189 456476343 /nfs/dbraw/zinc/47/63/43/456476343.db2.gz PTRXKWDERUTZSU-ZWKOTPCHSA-N 2 0 326.525 3.062 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc2C1 ZINC000340476485 456482557 /nfs/dbraw/zinc/48/25/57/456482557.db2.gz QRTCUMCDJKCVHI-NRFANRHFSA-N 2 0 343.515 3.336 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000340514091 456502194 /nfs/dbraw/zinc/50/21/94/456502194.db2.gz GRUXTGRPSZKFPS-GSEOLPGOSA-N 2 0 328.500 3.444 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000340524083 456510279 /nfs/dbraw/zinc/51/02/79/456510279.db2.gz FJEOMFKGCMAXBZ-GOSISDBHSA-N 2 0 342.487 3.236 20 0 EGADRP CC(C)N1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000340524127 456510670 /nfs/dbraw/zinc/51/06/70/456510670.db2.gz FWILLZYPIZZGPG-IOJLRTSASA-N 2 0 343.515 3.029 20 0 EGADRP C[C@H](CC(N)=O)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000340539901 456520128 /nfs/dbraw/zinc/52/01/28/456520128.db2.gz DFAGWNRNHMQWQS-APWZRJJASA-N 2 0 349.494 3.232 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC000648820139 462292689 /nfs/dbraw/zinc/29/26/89/462292689.db2.gz WAFWXDLQBBQBKP-YLJYHZDGSA-N 2 0 345.531 3.265 20 0 EGADRP CSC1(C[NH2+]Cc2csc(-c3ccccn3)n2)CC[NH+](C)CC1 ZINC000353192171 456549139 /nfs/dbraw/zinc/54/91/39/456549139.db2.gz QDNYULCIAMMKPY-UHFFFAOYSA-N 2 0 348.541 3.122 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282557267 456551527 /nfs/dbraw/zinc/55/15/27/456551527.db2.gz DDMPFKWJNMWVTC-IRXDYDNUSA-N 2 0 337.939 3.134 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000282582388 456560313 /nfs/dbraw/zinc/56/03/13/456560313.db2.gz ZTFWUQOYMBVBCY-NSISKUIASA-N 2 0 334.479 3.261 20 0 EGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000310445240 456581204 /nfs/dbraw/zinc/58/12/04/456581204.db2.gz YOJBZQLWAXBOFP-FQEVSTJZSA-N 2 0 339.483 3.057 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)CC1 ZINC000353265760 456598003 /nfs/dbraw/zinc/59/80/03/456598003.db2.gz AZRASIDOAOAICO-HXUWFJFHSA-N 2 0 327.516 3.246 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)N(C)C)cc1 ZINC000348318221 456618862 /nfs/dbraw/zinc/61/88/62/456618862.db2.gz FMCNKKLCONIDIG-DQLDELGASA-N 2 0 345.531 3.149 20 0 EGADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CCCC[NH+](C)C)c1 ZINC000299311545 456653803 /nfs/dbraw/zinc/65/38/03/456653803.db2.gz DWITWHVCXMPFGV-UHFFFAOYSA-N 2 0 343.471 3.101 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282891127 456657039 /nfs/dbraw/zinc/65/70/39/456657039.db2.gz XXBJFHUCFOWSSU-QGZVFWFLSA-N 2 0 326.488 3.169 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000277091264 456678035 /nfs/dbraw/zinc/67/80/35/456678035.db2.gz KMZYRXKYTYGINQ-HXUWFJFHSA-N 2 0 347.572 3.066 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277166774 456704787 /nfs/dbraw/zinc/70/47/87/456704787.db2.gz KNYSZYJIOAZSGE-CABCVRRESA-N 2 0 337.895 3.392 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000343559407 456705822 /nfs/dbraw/zinc/70/58/22/456705822.db2.gz DCCXOFZVRGGJBC-PXNSSMCTSA-N 2 0 330.472 3.373 20 0 EGADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000291762883 456749379 /nfs/dbraw/zinc/74/93/79/456749379.db2.gz VQGSJLBWTACAFE-WMLDXEAASA-N 2 0 345.512 3.231 20 0 EGADRP CCOc1ccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000291795286 456759821 /nfs/dbraw/zinc/75/98/21/456759821.db2.gz MVQKIEMPGNVWJE-PZJWPPBQSA-N 2 0 346.515 3.315 20 0 EGADRP CC(C)N(C(=O)[C@H](C)N(C)CCC[N@H+](C)Cc1ccco1)C(C)C ZINC000353571897 456771289 /nfs/dbraw/zinc/77/12/89/456771289.db2.gz IYVFWTRBEOQDKH-KRWDZBQOSA-N 2 0 337.508 3.067 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000277315922 456775357 /nfs/dbraw/zinc/77/53/57/456775357.db2.gz UWWDGSJMTABFHK-KRWDZBQOSA-N 2 0 328.460 3.085 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C/C=C/c3ccncc3)cc2)CC1 ZINC000341274561 456829445 /nfs/dbraw/zinc/82/94/45/456829445.db2.gz QVKJGCQXYZBURF-NSCUHMNNSA-N 2 0 337.467 3.358 20 0 EGADRP Cc1nccn1CCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000348756634 456842928 /nfs/dbraw/zinc/84/29/28/456842928.db2.gz PQYGDXDRTFKCHP-SFTDATJTSA-N 2 0 340.515 3.254 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000292164695 456874562 /nfs/dbraw/zinc/87/45/62/456874562.db2.gz VKPOMBARLVFYPV-MSOLQXFVSA-N 2 0 349.906 3.125 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)CC1 ZINC000349191993 456909165 /nfs/dbraw/zinc/90/91/65/456909165.db2.gz OQCDXEYVUMGXMK-OAHLLOKOSA-N 2 0 332.879 3.151 20 0 EGADRP CCc1nc(C(C)C)ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000339045552 456914196 /nfs/dbraw/zinc/91/41/96/456914196.db2.gz UXEDCOZMXBYEDN-DUXKGJEZSA-N 2 0 345.531 3.451 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCN1Cc1ccccc1)CC(C)C ZINC000345679568 456988079 /nfs/dbraw/zinc/98/80/79/456988079.db2.gz CUMYWDZMICVKQY-PMACEKPBSA-N 2 0 345.531 3.134 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC000345973744 457009909 /nfs/dbraw/zinc/00/99/09/457009909.db2.gz BKDSARFFOFWPHW-NZSAHSFTSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359216116 457065692 /nfs/dbraw/zinc/06/56/92/457065692.db2.gz LAKQQLLOEFEVBM-OAHLLOKOSA-N 2 0 337.458 3.033 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]21 ZINC000342141403 457132384 /nfs/dbraw/zinc/13/23/84/457132384.db2.gz POYXPOHXZPTPPZ-DUXKGJEZSA-N 2 0 337.467 3.220 20 0 EGADRP COC1(C)CC[NH+](CCCCC[NH+]2CCC(C)(OC)CC2)CC1 ZINC000342163123 457143571 /nfs/dbraw/zinc/14/35/71/457143571.db2.gz XZUCUJTXHGCPIP-UHFFFAOYSA-N 2 0 326.525 3.159 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346825172 457178808 /nfs/dbraw/zinc/17/88/08/457178808.db2.gz ATYFEWGYCMFJSX-VHSSKADRSA-N 2 0 330.863 3.003 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000362967001 457179531 /nfs/dbraw/zinc/17/95/31/457179531.db2.gz ODBUCRMINXEJIA-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000356810257 457179830 /nfs/dbraw/zinc/17/98/30/457179830.db2.gz KYRVQCDRFSBEBN-IAGOWNOFSA-N 2 0 333.520 3.180 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000354297684 457180164 /nfs/dbraw/zinc/18/01/64/457180164.db2.gz VGSNRTDOYUVQSD-QRQLOZEOSA-N 2 0 330.520 3.138 20 0 EGADRP CC[C@@H]1C[C@H](C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000356989066 457261356 /nfs/dbraw/zinc/26/13/56/457261356.db2.gz KVMSIRIFWUBLBK-PIKOESSRSA-N 2 0 338.536 3.013 20 0 EGADRP CCCOc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000357043465 457294615 /nfs/dbraw/zinc/29/46/15/457294615.db2.gz GGAHDSDGBFVKKV-SFHVURJKSA-N 2 0 332.488 3.306 20 0 EGADRP CSc1cc2c(cc1C[NH+]1CCC([C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000357060108 457302214 /nfs/dbraw/zinc/30/22/14/457302214.db2.gz XKOWHILEFYIWCD-HNNXBMFYSA-N 2 0 348.512 3.001 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1)CC1CC1 ZINC000357071839 457307889 /nfs/dbraw/zinc/30/78/89/457307889.db2.gz BVTANWJGTVMERF-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000357083973 457313192 /nfs/dbraw/zinc/31/31/92/457313192.db2.gz JBCKLKCJOXJVDT-HNNXBMFYSA-N 2 0 333.501 3.395 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000352140953 457341192 /nfs/dbraw/zinc/34/11/92/457341192.db2.gz PHCJPQFDTUQDDB-OALUTQOASA-N 2 0 331.504 3.106 20 0 EGADRP CCOC(=O)CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433912 457364474 /nfs/dbraw/zinc/36/44/74/457364474.db2.gz ZBGIJOIKKCWWMK-PMACEKPBSA-N 2 0 344.499 3.174 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000360881300 457403807 /nfs/dbraw/zinc/40/38/07/457403807.db2.gz PKHNMAPKWMKWON-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCc2ccsc2)CC1 ZINC000360901227 457421959 /nfs/dbraw/zinc/42/19/59/457421959.db2.gz HMVMKWYQXYLTRB-HDICACEKSA-N 2 0 335.561 3.171 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000347470134 457450155 /nfs/dbraw/zinc/45/01/55/457450155.db2.gz AMINWIHCKRWHLG-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP Cc1[nH+]ccc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1Cl ZINC000425245287 457469895 /nfs/dbraw/zinc/46/98/95/457469895.db2.gz WKZGTNGHCJBFOY-CQSZACIVSA-N 2 0 330.863 3.498 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342732730 457484801 /nfs/dbraw/zinc/48/48/01/457484801.db2.gz LTUYIXLLVKIWCP-SLFFLAALSA-N 2 0 343.515 3.118 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000397568034 457487471 /nfs/dbraw/zinc/48/74/71/457487471.db2.gz WWQMNGRSOVGDBN-YPAWHYETSA-N 3 0 341.543 3.409 20 0 EGADRP Cc1ccncc1CCCN1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425347814 457508770 /nfs/dbraw/zinc/50/87/70/457508770.db2.gz MISOYENZGCQHNN-CALCHBBNSA-N 2 0 346.377 3.125 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000399751867 457510703 /nfs/dbraw/zinc/51/07/03/457510703.db2.gz ARAJWDZGRGLAKZ-ILWGZMRPSA-N 2 0 335.495 3.433 20 0 EGADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000425409158 457540566 /nfs/dbraw/zinc/54/05/66/457540566.db2.gz ABNFKUXODNSRIZ-QHAWAJNXSA-N 2 0 328.500 3.398 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000357502103 457568312 /nfs/dbraw/zinc/56/83/12/457568312.db2.gz QXNWQOBJOAKXDX-SJORKVTESA-N 2 0 333.476 3.177 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000357611006 457621119 /nfs/dbraw/zinc/62/11/19/457621119.db2.gz UONURZUDWUHOCX-IEBWSBKVSA-N 2 0 348.535 3.097 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1)C[NH+](C)C ZINC000425942143 457657037 /nfs/dbraw/zinc/65/70/37/457657037.db2.gz DQROEJHOWJMCDP-RYUDHWBXSA-N 2 0 331.273 3.307 20 0 EGADRP Cc1nc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c(C)o1 ZINC000357796145 457693471 /nfs/dbraw/zinc/69/34/71/457693471.db2.gz PSBKFYYJHHWUAE-AWEZNQCLSA-N 2 0 331.460 3.125 20 0 EGADRP CCn1ccnc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000370678544 457699134 /nfs/dbraw/zinc/69/91/34/457699134.db2.gz XOQZMNVQBIYIQY-UHFFFAOYSA-N 2 0 338.499 3.391 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370712380 457704559 /nfs/dbraw/zinc/70/45/59/457704559.db2.gz UYMSEHXIRDKXNZ-OXQOHEQNSA-N 2 0 341.499 3.199 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357860437 457715169 /nfs/dbraw/zinc/71/51/69/457715169.db2.gz XGHZWSRHFJWDOO-AZUAARDMSA-N 2 0 344.547 3.004 20 0 EGADRP C[C@@]1(CO)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361432813 457730376 /nfs/dbraw/zinc/73/03/76/457730376.db2.gz VFBWGMXFSOGJLQ-VKQJQLINSA-N 2 0 328.500 3.323 20 0 EGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433134209 457763420 /nfs/dbraw/zinc/76/34/20/457763420.db2.gz KIVDRJSCXCBNJW-OAHLLOKOSA-N 2 0 343.471 3.156 20 0 EGADRP CC(C)[C@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000433154456 457766159 /nfs/dbraw/zinc/76/61/59/457766159.db2.gz UECYXLVWOMEVLU-HLIPFELVSA-N 2 0 345.531 3.012 20 0 EGADRP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443586898 457784849 /nfs/dbraw/zinc/78/48/49/457784849.db2.gz BLJRPHVASZJUCK-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000361546819 457787872 /nfs/dbraw/zinc/78/78/72/457787872.db2.gz CSQNZQYJAQNLOJ-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@]1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CCO[C@@H]1C1CC1 ZINC000375118992 457799465 /nfs/dbraw/zinc/79/94/65/457799465.db2.gz BEVSLBKBAMZMFP-NHCUHLMSSA-N 2 0 328.500 3.446 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433344758 457816634 /nfs/dbraw/zinc/81/66/34/457816634.db2.gz UEWLPMLZGGYKRF-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411303683 457855079 /nfs/dbraw/zinc/85/50/79/457855079.db2.gz AXVRDBORUOQDIG-KRWDZBQOSA-N 2 0 342.405 3.172 20 0 EGADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000411317396 457856787 /nfs/dbraw/zinc/85/67/87/457856787.db2.gz ALTHLUKCWJSLDA-FQEVSTJZSA-N 2 0 349.494 3.101 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330586 457859190 /nfs/dbraw/zinc/85/91/90/457859190.db2.gz LZOHDVVHCJSVPS-OAQYLSRUSA-N 2 0 329.532 3.446 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000361791514 457862155 /nfs/dbraw/zinc/86/21/55/457862155.db2.gz ZTOJQFDHJUIDSU-ROUUACIJSA-N 2 0 340.556 3.010 20 0 EGADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358233802 457876368 /nfs/dbraw/zinc/87/63/68/457876368.db2.gz FJFLEZVFNADRJB-XOBRGWDASA-N 2 0 343.446 3.184 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc3c[nH+]cn3c2)cc1)C1CC1 ZINC000457977806 457889284 /nfs/dbraw/zinc/88/92/84/457889284.db2.gz QPTNGZWDRKUCLJ-UHFFFAOYSA-N 2 0 348.450 3.249 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000358267977 457900655 /nfs/dbraw/zinc/90/06/55/457900655.db2.gz QZXFZMIXVVSTDX-QZTJIDSGSA-N 2 0 343.515 3.133 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000411620220 457930037 /nfs/dbraw/zinc/93/00/37/457930037.db2.gz LXUXDAWSOXXIME-FXAWDEMLSA-N 2 0 344.499 3.304 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000434055877 457938979 /nfs/dbraw/zinc/93/89/79/457938979.db2.gz AQTWOIBMXDYUKA-WOJBJXKFSA-N 2 0 343.515 3.203 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)[C@@H](C)C1 ZINC000358395805 457977730 /nfs/dbraw/zinc/97/77/30/457977730.db2.gz INQJMYWCDGNCAF-LWYYNNOASA-N 2 0 340.552 3.164 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000367896272 457994179 /nfs/dbraw/zinc/99/41/79/457994179.db2.gz MYRTXVZEDLJRID-ZBFHGGJFSA-N 2 0 334.426 3.483 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(Cc2cncc(F)c2)CC1 ZINC000434645206 458027828 /nfs/dbraw/zinc/02/78/28/458027828.db2.gz YJFFGDXKQJCMBK-IBGZPJMESA-N 2 0 328.435 3.102 20 0 EGADRP C[C@H]1C[N@H+](CCCc2ccccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371697417 458038362 /nfs/dbraw/zinc/03/83/62/458038362.db2.gz WAZNDKABMCIXIL-FXAWDEMLSA-N 2 0 349.950 3.230 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000358616948 458110756 /nfs/dbraw/zinc/11/07/56/458110756.db2.gz QNEDXKREILKFDY-HXUWFJFHSA-N 2 0 345.531 3.265 20 0 EGADRP c1ncn2c1C[C@@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)CC2 ZINC000371902790 458115242 /nfs/dbraw/zinc/11/52/42/458115242.db2.gz ASAQEJWPHRMOJK-KRWDZBQOSA-N 2 0 349.438 3.259 20 0 EGADRP Cc1cnc([C@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000428304716 458118298 /nfs/dbraw/zinc/11/82/98/458118298.db2.gz XMDWAGWNVVZBRJ-INIZCTEOSA-N 2 0 325.460 3.089 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C[N@@H+]1C1CC1 ZINC000412179088 458118795 /nfs/dbraw/zinc/11/87/95/458118795.db2.gz UJVWVHBDTCEIBY-QFBILLFUSA-N 2 0 341.499 3.028 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OCC(F)(F)F ZINC000435369247 458120565 /nfs/dbraw/zinc/12/05/65/458120565.db2.gz DVCVRINQWIZLIX-GXTWGEPZSA-N 2 0 346.393 3.196 20 0 EGADRP CC[C@@H]1C[C@@H](C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000435371340 458122275 /nfs/dbraw/zinc/12/22/75/458122275.db2.gz MDNMSAVWPARXRE-YSIASYRMSA-N 2 0 331.504 3.231 20 0 EGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435373554 458123926 /nfs/dbraw/zinc/12/39/26/458123926.db2.gz VDKGJKKQLKHELR-WMZOPIPTSA-N 2 0 347.466 3.103 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C1CC[NH2+]CC1 ZINC000435378509 458128338 /nfs/dbraw/zinc/12/83/38/458128338.db2.gz DPZWBZFHOTVMMH-UHFFFAOYSA-N 2 0 346.906 3.385 20 0 EGADRP C[NH2+]C[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435390138 458133652 /nfs/dbraw/zinc/13/36/52/458133652.db2.gz OEWJMNMVVOIXPR-HXUWFJFHSA-N 2 0 347.466 3.118 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435389562 458134102 /nfs/dbraw/zinc/13/41/02/458134102.db2.gz LPTCAJXRUKRUAQ-INIZCTEOSA-N 2 0 346.906 3.372 20 0 EGADRP CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435392157 458136504 /nfs/dbraw/zinc/13/65/04/458136504.db2.gz VMNWYDGPYGCBTD-AWEZNQCLSA-N 2 0 328.403 3.261 20 0 EGADRP CC[C@@H]1C[C@@H](C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)CCO1 ZINC000435441030 458148251 /nfs/dbraw/zinc/14/82/51/458148251.db2.gz CHVMTOICZSCTSA-GVDBMIGSSA-N 2 0 337.533 3.068 20 0 EGADRP CCn1ccnc1CN(C(=O)CC(C)(C)CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435565106 458161922 /nfs/dbraw/zinc/16/19/22/458161922.db2.gz JRBQAHBNSNNYQI-INIZCTEOSA-N 2 0 346.519 3.200 20 0 EGADRP CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435612739 458172744 /nfs/dbraw/zinc/17/27/44/458172744.db2.gz HGYLUDNEPRJAEL-IBGZPJMESA-N 2 0 326.488 3.453 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000372095061 458192007 /nfs/dbraw/zinc/19/20/07/458192007.db2.gz MSPLZCKDMONHLK-ORYQWCPZSA-N 2 0 346.515 3.483 20 0 EGADRP COCC1(C)CC[NH+](C/C=C\C[NH+]2CCC(C)(COC)CC2)CC1 ZINC000358754698 458195894 /nfs/dbraw/zinc/19/58/94/458195894.db2.gz UBANTZJFRJGHPX-WAYWQWQTSA-N 2 0 338.536 3.040 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000435892058 458219428 /nfs/dbraw/zinc/21/94/28/458219428.db2.gz IXDXIBMVVHPMIK-HGHGUNKESA-N 2 0 341.499 3.389 20 0 EGADRP Cc1csc(N2CCC([NH2+]CC[C@@H](C)[NH+]3CCCCC3)CC2)n1 ZINC000376355899 458275925 /nfs/dbraw/zinc/27/59/25/458275925.db2.gz UHIHKGGVEKMNQE-MRXNPFEDSA-N 2 0 336.549 3.274 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436251767 458276696 /nfs/dbraw/zinc/27/66/96/458276696.db2.gz JZAUCJIFHPLOKY-NJDAHSKKSA-N 2 0 330.516 3.080 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362589308 458286616 /nfs/dbraw/zinc/28/66/16/458286616.db2.gz NCYJGHAHJCGBRW-UKRRQHHQSA-N 2 0 329.366 3.010 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000436403415 458299655 /nfs/dbraw/zinc/29/96/55/458299655.db2.gz APENXWOYWQHFGJ-IEBWSBKVSA-N 2 0 339.483 3.481 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2c(Cl)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000436406620 458301395 /nfs/dbraw/zinc/30/13/95/458301395.db2.gz IKJXGSCMFXIONK-NVXWUHKLSA-N 2 0 346.906 3.464 20 0 EGADRP Cc1cncc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000372921351 458349529 /nfs/dbraw/zinc/34/95/29/458349529.db2.gz JLMBXBHGKFDPAG-UHFFFAOYSA-N 2 0 344.547 3.018 20 0 EGADRP CS[C@H]1CCCC[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429681573 458357812 /nfs/dbraw/zinc/35/78/12/458357812.db2.gz CQVQEABFDFMWKJ-PMACEKPBSA-N 2 0 348.556 3.495 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCn1cc(Cl)cn1 ZINC000459401810 458359701 /nfs/dbraw/zinc/35/97/01/458359701.db2.gz IWMQSXUUCCEDIL-HZPDHXFCSA-N 2 0 346.906 3.283 20 0 EGADRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000372990297 458368314 /nfs/dbraw/zinc/36/83/14/458368314.db2.gz PGRDYNOBJHKVGZ-UYAOXDASSA-N 2 0 332.488 3.161 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000448021628 458380157 /nfs/dbraw/zinc/38/01/57/458380157.db2.gz JRZOFAZLODDZBF-PXNSSMCTSA-N 2 0 347.547 3.398 20 0 EGADRP OC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000459560415 458411237 /nfs/dbraw/zinc/41/12/37/458411237.db2.gz MCHMKSFCRZPKQZ-HNNXBMFYSA-N 2 0 345.874 3.070 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423427543 458431200 /nfs/dbraw/zinc/43/12/00/458431200.db2.gz IMRKYCTXGQXNRL-HOTGVXAUSA-N 2 0 330.476 3.167 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000459638557 458433410 /nfs/dbraw/zinc/43/34/10/458433410.db2.gz TXSMGFUZTOBTAR-PUZFROQSSA-N 2 0 345.531 3.263 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423477751 458438470 /nfs/dbraw/zinc/43/84/70/458438470.db2.gz KISFRUBFNXRSMD-CMOCDZPBSA-N 3 0 341.543 3.409 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661586 458438664 /nfs/dbraw/zinc/43/86/64/458438664.db2.gz MOSNMQJWHFXITI-CABCVRRESA-N 2 0 334.426 3.152 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)nnn1-c1ccc(Cl)cc1 ZINC000423480052 458439968 /nfs/dbraw/zinc/43/99/68/458439968.db2.gz MRSKMHLBIIZBRX-CZUORRHYSA-N 2 0 347.894 3.412 20 0 EGADRP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000423493090 458442771 /nfs/dbraw/zinc/44/27/71/458442771.db2.gz PMCPAAKECXQFTM-YESZJQIVSA-N 2 0 342.405 3.310 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000423511205 458447099 /nfs/dbraw/zinc/44/70/99/458447099.db2.gz KATLOXQFLGNULM-XJKSGUPXSA-N 2 0 330.303 3.184 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423524553 458451676 /nfs/dbraw/zinc/45/16/76/458451676.db2.gz ZNSSTOSABMYZQQ-KPFFTGBYSA-N 2 0 325.456 3.091 20 0 EGADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423538334 458455042 /nfs/dbraw/zinc/45/50/42/458455042.db2.gz GDDJOZILZWHHOM-XFKSJGNHSA-N 2 0 326.484 3.367 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423536346 458455159 /nfs/dbraw/zinc/45/51/59/458455159.db2.gz HKEOTABUZLOVKN-OAQYLSRUSA-N 2 0 337.467 3.273 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000423541799 458455209 /nfs/dbraw/zinc/45/52/09/458455209.db2.gz ACADIFOQHCGGST-TYPHKJRUSA-N 2 0 327.516 3.019 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423551087 458456021 /nfs/dbraw/zinc/45/60/21/458456021.db2.gz TVCNEPSVCYVIOY-BJOMATTFSA-N 3 0 341.543 3.407 20 0 EGADRP CSc1cc2c(cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1)OCCO2 ZINC000459722882 458457074 /nfs/dbraw/zinc/45/70/74/458457074.db2.gz CESXPTBQZNHNEP-CQSZACIVSA-N 2 0 336.501 3.001 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000459737363 458462983 /nfs/dbraw/zinc/46/29/83/458462983.db2.gz RAHHEHVFKAWLJR-CQSZACIVSA-N 2 0 338.879 3.323 20 0 EGADRP CC(C)[C@@](C)(CN)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000430583296 458466521 /nfs/dbraw/zinc/46/65/21/458466521.db2.gz XMVGMMBRDDBIMA-OAHLLOKOSA-N 2 0 332.275 3.285 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000430583863 458466696 /nfs/dbraw/zinc/46/66/96/458466696.db2.gz XZKJBMBEDWTKLV-MAUKXSAKSA-N 2 0 333.520 3.444 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000423652806 458467721 /nfs/dbraw/zinc/46/77/21/458467721.db2.gz YDFVYZQTSFQGCQ-OAHLLOKOSA-N 2 0 343.446 3.049 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+](C)CC(C)(C)C[NH3+])n2)cc1F ZINC000430598268 458468972 /nfs/dbraw/zinc/46/89/72/458468972.db2.gz SKPCOYFDFJDURH-UHFFFAOYSA-N 2 0 334.439 3.033 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430609146 458470941 /nfs/dbraw/zinc/47/09/41/458470941.db2.gz GYGQIFBJVVRYCM-OAHLLOKOSA-N 2 0 346.450 3.048 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000459780951 458477470 /nfs/dbraw/zinc/47/74/70/458477470.db2.gz MAQZTJQINMNTLI-NRSPTQNISA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000373392855 458479651 /nfs/dbraw/zinc/47/96/51/458479651.db2.gz KDSOMSJGJTUXHJ-CTNGQTDRSA-N 2 0 329.532 3.184 20 0 EGADRP C[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000430840504 458497205 /nfs/dbraw/zinc/49/72/05/458497205.db2.gz XRQKPGWQLYNNSP-FUHWJXTLSA-N 2 0 331.504 3.093 20 0 EGADRP C[NH2+]CC1CC[NH+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000430927396 458505844 /nfs/dbraw/zinc/50/58/44/458505844.db2.gz QFRDUSKLMMQZFP-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP Clc1cccc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430927568 458506687 /nfs/dbraw/zinc/50/66/87/458506687.db2.gz IVJQLRFJCGKWLK-UHFFFAOYSA-N 2 0 330.863 3.306 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000430925000 458506814 /nfs/dbraw/zinc/50/68/14/458506814.db2.gz JOPKEBBRTIXCKL-MRXNPFEDSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430933601 458507087 /nfs/dbraw/zinc/50/70/87/458507087.db2.gz IZICKTOVLXNMJX-NWDGAFQWSA-N 2 0 343.393 3.092 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000430937518 458507674 /nfs/dbraw/zinc/50/76/74/458507674.db2.gz CJHVRQGLOKPXPW-VXGBXAGGSA-N 2 0 343.393 3.092 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000430957530 458509354 /nfs/dbraw/zinc/50/93/54/458509354.db2.gz PGFCLCJJBNMKDT-INIZCTEOSA-N 2 0 325.456 3.220 20 0 EGADRP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431034495 458519771 /nfs/dbraw/zinc/51/97/71/458519771.db2.gz OMJCMHSPGOPMDR-IEBWSBKVSA-N 2 0 343.515 3.108 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000438186841 458547162 /nfs/dbraw/zinc/54/71/62/458547162.db2.gz GEOKTVRXGXHVOQ-FQEVSTJZSA-N 2 0 346.515 3.074 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC(C)C ZINC000469129564 458556238 /nfs/dbraw/zinc/55/62/38/458556238.db2.gz QLFQHDGHKOSHCH-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP COCCOCc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000377883200 458563130 /nfs/dbraw/zinc/56/31/30/458563130.db2.gz IRDMXYACVWMZEM-NRFANRHFSA-N 2 0 346.515 3.013 20 0 EGADRP Cn1c2cc(F)ccc2nc1NCc1nccn1CCc1ccccc1 ZINC000431420201 458569927 /nfs/dbraw/zinc/56/99/27/458569927.db2.gz GXUTUSSYCLGGMX-UHFFFAOYSA-N 2 0 349.413 3.186 20 0 EGADRP [NH3+][C@@H](CCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)CC1CCCCC1 ZINC000424181871 458578590 /nfs/dbraw/zinc/57/85/90/458578590.db2.gz YKIZFQVGINTWEL-KRWDZBQOSA-N 2 0 345.487 3.185 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438552976 458596412 /nfs/dbraw/zinc/59/64/12/458596412.db2.gz PSXWSFZJSHJDMC-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2ccccc2F)CC1 ZINC000469967679 458602482 /nfs/dbraw/zinc/60/24/82/458602482.db2.gz ZAYJDMZKIVZFSK-UHFFFAOYSA-N 2 0 336.495 3.439 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC000470135173 458614405 /nfs/dbraw/zinc/61/44/05/458614405.db2.gz SJABRZVQTYPKKX-FUHWJXTLSA-N 2 0 332.488 3.028 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)C[C@H]1C ZINC000438819857 458617003 /nfs/dbraw/zinc/61/70/03/458617003.db2.gz NEQYSWULOPOLSJ-ZBFHGGJFSA-N 2 0 335.467 3.267 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431785233 458623895 /nfs/dbraw/zinc/62/38/95/458623895.db2.gz ORPFWNKBDNXIJJ-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC000494068107 458624022 /nfs/dbraw/zinc/62/40/22/458624022.db2.gz DZEXETICKANAQR-QWFCFKBJSA-N 2 0 343.515 3.030 20 0 EGADRP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000502281804 458643821 /nfs/dbraw/zinc/64/38/21/458643821.db2.gz AZCRQVDAIVTKSR-HXUWFJFHSA-N 2 0 334.504 3.190 20 0 EGADRP C[N@H+](CCC(=O)NC1CC[NH+](CC2CCCC2)CC1)C1CCCCC1 ZINC000546721844 458666334 /nfs/dbraw/zinc/66/63/34/458666334.db2.gz GBKMVSCGVZRSKW-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061953 458690746 /nfs/dbraw/zinc/69/07/46/458690746.db2.gz HUERBJYDIHFRMA-QGZVFWFLSA-N 2 0 335.467 3.349 20 0 EGADRP CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000494635238 458715587 /nfs/dbraw/zinc/71/55/87/458715587.db2.gz FVFQCNZTWYIZNF-IHPCNDPISA-N 2 0 343.515 3.203 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@@H](C)CCC[NH3+])CC2)c(OC)c1 ZINC000530209410 458716351 /nfs/dbraw/zinc/71/63/51/458716351.db2.gz HGUAAQOZHVIOEJ-AWEZNQCLSA-N 2 0 336.476 3.019 20 0 EGADRP Fc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000530238912 458727373 /nfs/dbraw/zinc/72/73/73/458727373.db2.gz PRZUOFYKJKWSBB-INIZCTEOSA-N 2 0 326.843 3.070 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(C)C ZINC000503927248 458729031 /nfs/dbraw/zinc/72/90/31/458729031.db2.gz HYWFOCRIAXJFNG-ROUUACIJSA-N 2 0 340.556 3.010 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503920971 458729611 /nfs/dbraw/zinc/72/96/11/458729611.db2.gz OQEGIORYQQBDQX-GOSISDBHSA-N 2 0 340.556 3.011 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000471859588 458743106 /nfs/dbraw/zinc/74/31/06/458743106.db2.gz WBPJOFYSNBSSCF-UHFFFAOYSA-N 2 0 340.556 3.014 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCc2cncn2C)cnn1-c1cc(C)ccc1C ZINC000530355001 458753011 /nfs/dbraw/zinc/75/30/11/458753011.db2.gz RNLAFAZGIIJMQI-MRXNPFEDSA-N 2 0 337.471 3.424 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000472092415 458767045 /nfs/dbraw/zinc/76/70/45/458767045.db2.gz BYOAFNCNSMGBIM-MSOLQXFVSA-N 2 0 340.556 3.013 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC000547733336 458782048 /nfs/dbraw/zinc/78/20/48/458782048.db2.gz OIDYIYKTOJTVTF-LJQANCHMSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1ccc2[nH]c(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2c1C ZINC000473137399 458821917 /nfs/dbraw/zinc/82/19/17/458821917.db2.gz HVUICSWNDFOPSO-INIZCTEOSA-N 2 0 343.515 3.309 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2Cc3cccc(O)c3C2)CC1 ZINC000433038428 458830335 /nfs/dbraw/zinc/83/03/35/458830335.db2.gz GSXKUDIPCKSJIB-MOXGXCLJSA-N 2 0 328.500 3.492 20 0 EGADRP CCCC[N@H+](C)CC1CCN(Cc2nc(CC(F)(F)F)no2)CC1 ZINC000441217491 458902958 /nfs/dbraw/zinc/90/29/58/458902958.db2.gz IGLPWHGJNQTZCU-UHFFFAOYSA-N 2 0 348.413 3.118 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441339451 458923132 /nfs/dbraw/zinc/92/31/32/458923132.db2.gz VKIXWSLRQUKTTP-UHFFFAOYSA-N 2 0 343.437 3.129 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CC2CCCCCC2)cc1 ZINC000531488875 458925576 /nfs/dbraw/zinc/92/55/76/458925576.db2.gz IDQUSQMKYYOXQI-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000519228296 458926678 /nfs/dbraw/zinc/92/66/78/458926678.db2.gz FWDGGUNYRVEONQ-SFHVURJKSA-N 2 0 345.531 3.482 20 0 EGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000556178592 458933875 /nfs/dbraw/zinc/93/38/75/458933875.db2.gz FOKVLBVRANSRNW-BHDDXSALSA-N 2 0 338.495 3.324 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000531689498 458960701 /nfs/dbraw/zinc/96/07/01/458960701.db2.gz KTCVOYCWVKGVFL-AZUAARDMSA-N 2 0 348.531 3.273 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CC1 ZINC000556586343 458974993 /nfs/dbraw/zinc/97/49/93/458974993.db2.gz SDYSTWBUZDJRNR-QFIPXVFZSA-N 2 0 343.559 3.179 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000519761736 459001305 /nfs/dbraw/zinc/00/13/05/459001305.db2.gz DZWRMSRSWMSSHB-PBHICJAKSA-N 2 0 344.421 3.464 20 0 EGADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531970976 459009839 /nfs/dbraw/zinc/00/98/39/459009839.db2.gz AZTMILPHJOAFPV-AABGKKOBSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000531979779 459010683 /nfs/dbraw/zinc/01/06/83/459010683.db2.gz UXKVNXFBEAQENG-RDJZCZTQSA-N 2 0 331.495 3.206 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000566858634 459012115 /nfs/dbraw/zinc/01/21/15/459012115.db2.gz SJEMAOAMNRAOIW-PMACEKPBSA-N 2 0 338.499 3.311 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000556952943 459036323 /nfs/dbraw/zinc/03/63/23/459036323.db2.gz ZVNQNYVNWPUFEV-SMDDNHRTSA-N 2 0 349.276 3.056 20 0 EGADRP O=C1OCCN1c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000496045226 459048095 /nfs/dbraw/zinc/04/80/95/459048095.db2.gz MJTOTRWHALNLSU-IPMKNSEASA-N 2 0 343.471 3.044 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000567113944 459049350 /nfs/dbraw/zinc/04/93/50/459049350.db2.gz ZAYPERUCZXUFRZ-RLLQIKCJSA-N 2 0 343.515 3.030 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442923280 459061314 /nfs/dbraw/zinc/06/13/14/459061314.db2.gz LVESDXKICVFBFA-LBPRGKRZSA-N 2 0 327.266 3.019 20 0 EGADRP COC1CC[NH+](C2(CN[C@H]3C[C@H]([NH3+])c4ccccc43)CCCC2)CC1 ZINC000520565004 459071509 /nfs/dbraw/zinc/07/15/09/459071509.db2.gz ZICXMVAEAVWNQG-PMACEKPBSA-N 2 0 343.515 3.144 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532447150 459091066 /nfs/dbraw/zinc/09/10/66/459091066.db2.gz ZYPHZCQYRSSDMB-QQFBHYJXSA-N 2 0 336.442 3.467 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCc3ccccc32)c2ccccc2)CC1 ZINC000532498233 459100531 /nfs/dbraw/zinc/10/05/31/459100531.db2.gz MTXZVJOKZJDLHB-YADHBBJMSA-N 2 0 335.495 3.252 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000521033194 459114510 /nfs/dbraw/zinc/11/45/10/459114510.db2.gz YXLNKADGBITWGQ-FQEVSTJZSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@@H]1COCC[C@H]1[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000479064825 459119880 /nfs/dbraw/zinc/11/98/80/459119880.db2.gz FYNCMTYJNRQAJY-NSISKUIASA-N 2 0 330.516 3.474 20 0 EGADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000567534642 459120737 /nfs/dbraw/zinc/12/07/37/459120737.db2.gz AKVMJOGZLSQAHY-UHFFFAOYSA-N 2 0 326.525 3.408 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCN1C ZINC000496242273 459121600 /nfs/dbraw/zinc/12/16/00/459121600.db2.gz FKFMWCKRLVQSKY-KZNAEPCWSA-N 2 0 345.487 3.112 20 0 EGADRP Clc1ccccc1[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC1 ZINC000567642442 459138372 /nfs/dbraw/zinc/13/83/72/459138372.db2.gz BGGBJYBQLIJYSZ-QDXKRRSBSA-N 2 0 333.907 3.350 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000479431801 459140608 /nfs/dbraw/zinc/14/06/08/459140608.db2.gz ZVXLOSRSMHEXNC-OAQYLSRUSA-N 2 0 340.511 3.338 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000558501307 459168083 /nfs/dbraw/zinc/16/80/83/459168083.db2.gz KZFYDCKXVGKSEQ-QWFCFKBJSA-N 2 0 332.536 3.002 20 0 EGADRP c1cc2c(cc1CC[NH2+]C1CC[NH+](C3CCCCC3)CC1)OCCO2 ZINC000480098078 459183067 /nfs/dbraw/zinc/18/30/67/459183067.db2.gz VRJSCBRHTTUVGZ-UHFFFAOYSA-N 2 0 344.499 3.387 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000558716061 459202684 /nfs/dbraw/zinc/20/26/84/459202684.db2.gz KJSVONMHYUYSTC-MRXNPFEDSA-N 2 0 339.439 3.336 20 0 EGADRP CCc1ccc(C[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)s1 ZINC000558752253 459207852 /nfs/dbraw/zinc/20/78/52/459207852.db2.gz MEWPBCKNJGSNTN-HNNXBMFYSA-N 2 0 343.496 3.428 20 0 EGADRP Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3cc(F)cc(F)c3)c2cc1C ZINC000558750789 459207879 /nfs/dbraw/zinc/20/78/79/459207879.db2.gz RFJJULABCSOPLK-QGZVFWFLSA-N 2 0 345.393 3.082 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]1 ZINC000578500439 459211067 /nfs/dbraw/zinc/21/10/67/459211067.db2.gz JLBRSYDDMSYBDU-APWZRJJASA-N 2 0 347.466 3.164 20 0 EGADRP CCC[N@H+](CCCc1cncn1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000578545411 459219666 /nfs/dbraw/zinc/21/96/66/459219666.db2.gz PUOVZQGMUAPFRX-QGZVFWFLSA-N 2 0 342.487 3.482 20 0 EGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1ccnc1 ZINC000578538038 459220060 /nfs/dbraw/zinc/22/00/60/459220060.db2.gz NMHPFWCPCRNRCH-ZHALLVOQSA-N 2 0 340.471 3.004 20 0 EGADRP Cc1nn(C)cc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000533739196 459265727 /nfs/dbraw/zinc/26/57/27/459265727.db2.gz XPOZUOOLKDJUCK-QFBILLFUSA-N 2 0 326.488 3.119 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000482102594 459290043 /nfs/dbraw/zinc/29/00/43/459290043.db2.gz TVJXZACDLMVNLK-NUJGCVRESA-N 2 0 335.923 3.405 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000482359427 459304791 /nfs/dbraw/zinc/30/47/91/459304791.db2.gz QPNZBTVGBRAHFJ-GOSISDBHSA-N 2 0 343.559 3.490 20 0 EGADRP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000568618057 459317028 /nfs/dbraw/zinc/31/70/28/459317028.db2.gz HIXWGKWFOWBBHK-KZNAEPCWSA-N 2 0 334.504 3.012 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483157435 459346359 /nfs/dbraw/zinc/34/63/59/459346359.db2.gz RUGTZASFBFMPOT-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1)C(C)C ZINC000568864680 459357638 /nfs/dbraw/zinc/35/76/38/459357638.db2.gz HPRXEYPRLWQBBM-IBGZPJMESA-N 2 0 331.504 3.179 20 0 EGADRP CCN1CCC([N@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496929310 459375674 /nfs/dbraw/zinc/37/56/74/459375674.db2.gz SHKFDDOXMYARGB-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000483619290 459377026 /nfs/dbraw/zinc/37/70/26/459377026.db2.gz GZWZCBQAJFRWQM-ZVDOUQERSA-N 2 0 348.531 3.489 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC[C@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000569001324 459380800 /nfs/dbraw/zinc/38/08/00/459380800.db2.gz XASGZZGHAVYGKN-SFHVURJKSA-N 2 0 339.483 3.488 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccccc1OCc1ccccc1 ZINC000582554468 459384426 /nfs/dbraw/zinc/38/44/26/459384426.db2.gz NRTXSGXIANPTDE-IEBWSBKVSA-N 2 0 342.483 3.229 20 0 EGADRP CC[NH+]1CCC([NH2+]CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000497138501 459455664 /nfs/dbraw/zinc/45/56/64/459455664.db2.gz YTFNQINZKYITIQ-KRWDZBQOSA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)(C[NH2+]CCC(=O)Nc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000569595873 459478620 /nfs/dbraw/zinc/47/86/20/459478620.db2.gz RAZMWLSUZHSDTK-UHFFFAOYSA-N 2 0 337.895 3.380 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)C(C)(C)C ZINC000569686451 459493271 /nfs/dbraw/zinc/49/32/71/459493271.db2.gz HXFMOVIYGQZIEC-WBVHZDCISA-N 2 0 342.911 3.036 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000525874992 459508560 /nfs/dbraw/zinc/50/85/60/459508560.db2.gz DDLZCUDSMVDIQO-SFTDATJTSA-N 2 0 329.532 3.114 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000562517678 459576057 /nfs/dbraw/zinc/57/60/57/459576057.db2.gz NOJMHVZTWQDWEY-CYBMUJFWSA-N 2 0 348.288 3.429 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C2CCCC2)o1 ZINC000542670253 459581114 /nfs/dbraw/zinc/58/11/14/459581114.db2.gz DRKBYHUYDOLNBT-FQEVSTJZSA-N 2 0 333.520 3.437 20 0 EGADRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000562626677 459605322 /nfs/dbraw/zinc/60/53/22/459605322.db2.gz WOCUCCFVGWRODZ-CHWSQXEVSA-N 2 0 345.409 3.210 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCCC23CCC3)c2ccccc2)CC1 ZINC000573058612 459617354 /nfs/dbraw/zinc/61/73/54/459617354.db2.gz BZKHFBQXHIBYHM-PMACEKPBSA-N 2 0 327.516 3.288 20 0 EGADRP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000584239742 459688966 /nfs/dbraw/zinc/68/89/66/459688966.db2.gz KSTWHRJOWMNICK-IRXDYDNUSA-N 2 0 328.500 3.421 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1CC[NH+](CC)CC1)CCC2 ZINC000573650600 459709733 /nfs/dbraw/zinc/70/97/33/459709733.db2.gz LFVIXTMILXUCQS-MRXNPFEDSA-N 2 0 348.487 3.464 20 0 EGADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H](c3nccn3C)C2)cc1 ZINC000573739732 459726367 /nfs/dbraw/zinc/72/63/67/459726367.db2.gz CICQDHSRNMSTMJ-INIZCTEOSA-N 2 0 329.444 3.077 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cc12 ZINC000574058909 459774469 /nfs/dbraw/zinc/77/44/69/459774469.db2.gz UAJRZYPZEUJGRQ-UHFFFAOYSA-N 2 0 349.482 3.162 20 0 EGADRP C[NH+](C)Cc1ccnc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)c1 ZINC000566007714 459791563 /nfs/dbraw/zinc/79/15/63/459791563.db2.gz OPIKWLOWDLBBBV-KRWDZBQOSA-N 2 0 332.492 3.160 20 0 EGADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000566058994 459799346 /nfs/dbraw/zinc/79/93/46/459799346.db2.gz NBFWNUHGFFDLHR-SJLPKXTDSA-N 2 0 327.476 3.060 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@](C)(O)C(F)(F)F ZINC000584775171 459800540 /nfs/dbraw/zinc/80/05/40/459800540.db2.gz DZGZLJATEXBNIT-CPUCHLNUSA-N 2 0 344.421 3.046 20 0 EGADRP Cc1cc(CN2CCC[C@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574323840 459806207 /nfs/dbraw/zinc/80/62/07/459806207.db2.gz MMEJGZMXMMFVSA-CQSZACIVSA-N 2 0 330.863 3.276 20 0 EGADRP Cc1ccc2cc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)[nH]c2c1 ZINC000597025920 459820270 /nfs/dbraw/zinc/82/02/70/459820270.db2.gz JWHPCRVHMHSQAR-FQEVSTJZSA-N 2 0 340.515 3.077 20 0 EGADRP C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000566208805 459822613 /nfs/dbraw/zinc/82/26/13/459822613.db2.gz NUBJDCXMWMTXHN-PBHICJAKSA-N 2 0 326.444 3.188 20 0 EGADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574565345 459834397 /nfs/dbraw/zinc/83/43/97/459834397.db2.gz QQJFIFOAUUDTNQ-JTJHWIPRSA-N 2 0 332.532 3.499 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000545980965 459882987 /nfs/dbraw/zinc/88/29/87/459882987.db2.gz TUYNIEMYNWOTQQ-VQTJNVASSA-N 2 0 344.547 3.033 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000546016887 459889336 /nfs/dbraw/zinc/88/93/36/459889336.db2.gz QBUBMFOCTPASLE-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000546229956 459904954 /nfs/dbraw/zinc/90/49/54/459904954.db2.gz KFSNIDDOELSQEV-OAHLLOKOSA-N 2 0 329.488 3.344 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3cc(C)c(C)cc3C)C2)CC1 ZINC000602465450 459951143 /nfs/dbraw/zinc/95/11/43/459951143.db2.gz QXZXAMBBMONQCN-WMWRJIBUSA-N 2 0 341.543 3.337 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000621642090 459994323 /nfs/dbraw/zinc/99/43/23/459994323.db2.gz DDBONXZAGCTDNG-QUCCMNQESA-N 2 0 343.515 3.110 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000621659404 459998506 /nfs/dbraw/zinc/99/85/06/459998506.db2.gz JBZQXFTXXOSKPR-GOSISDBHSA-N 2 0 329.488 3.043 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CCCC[NH+](C)C)CC1 ZINC000575855541 460016741 /nfs/dbraw/zinc/01/67/41/460016741.db2.gz FPXMKMMGIGYGJA-UHFFFAOYSA-N 2 0 345.531 3.267 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC[NH+](C)CC1 ZINC000589349409 460076594 /nfs/dbraw/zinc/07/65/94/460076594.db2.gz NOATVZMSDCIPCO-LBPRGKRZSA-N 2 0 335.473 3.011 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000576254715 460102917 /nfs/dbraw/zinc/10/29/17/460102917.db2.gz VLOKDCPBYPMRRJ-NQIIRXRSSA-N 3 0 329.532 3.361 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc2c1 ZINC000576488291 460154244 /nfs/dbraw/zinc/15/42/44/460154244.db2.gz BTIXNWDPUGDMBS-UYAOXDASSA-N 2 0 344.455 3.160 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000576811667 460217808 /nfs/dbraw/zinc/21/78/08/460217808.db2.gz KKPOUFHCUDQLCB-HZPDHXFCSA-N 2 0 349.485 3.361 20 0 EGADRP COCCC1CC[NH+](CC[C@@H](C)[NH+]2CCC(CCOC)CC2)CC1 ZINC000625630927 460221272 /nfs/dbraw/zinc/22/12/72/460221272.db2.gz YOLSBGZBKWACJU-GOSISDBHSA-N 2 0 340.552 3.262 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000599310930 460225784 /nfs/dbraw/zinc/22/57/84/460225784.db2.gz GLKBDRXZHXUKTC-FQEVSTJZSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000622507907 460269978 /nfs/dbraw/zinc/26/99/78/460269978.db2.gz FNLZKJKJICKDIY-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3coc4ccccc34)C2)CC1 ZINC000611276289 460326678 /nfs/dbraw/zinc/32/66/78/460326678.db2.gz JPHGMYNADSVYID-GOSISDBHSA-N 2 0 327.472 3.033 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3coc4ccccc34)C2)CC1 ZINC000611276290 460326947 /nfs/dbraw/zinc/32/69/47/460326947.db2.gz JPHGMYNADSVYID-SFHVURJKSA-N 2 0 327.472 3.033 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000615617668 460360234 /nfs/dbraw/zinc/36/02/34/460360234.db2.gz BKRXRNWBSBEGAZ-FPOVZHCZSA-N 2 0 343.515 3.014 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)C1 ZINC000604390122 460418566 /nfs/dbraw/zinc/41/85/66/460418566.db2.gz RWMAVVRLRLPCKY-SWXIYASGSA-N 2 0 345.575 3.305 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000600190859 460430006 /nfs/dbraw/zinc/43/00/06/460430006.db2.gz NHUNKGLECMDMAS-QGZVFWFLSA-N 2 0 332.488 3.463 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634678285 460472106 /nfs/dbraw/zinc/47/21/06/460472106.db2.gz OHROHFGNXLLTTC-GOSISDBHSA-N 2 0 334.504 3.454 20 0 EGADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000631617399 460475054 /nfs/dbraw/zinc/47/50/54/460475054.db2.gz GUENHNZEJOCJBI-ROUUACIJSA-N 2 0 342.531 3.105 20 0 EGADRP COc1cccc2c1OCCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000631622858 460476075 /nfs/dbraw/zinc/47/60/75/460476075.db2.gz QQXUCWWMYVMLMR-GOSISDBHSA-N 2 0 330.472 3.373 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccsc3C(F)(F)F)C2)CC1 ZINC000623416192 460536183 /nfs/dbraw/zinc/53/61/83/460536183.db2.gz MWFPKBKRHCABLQ-CYBMUJFWSA-N 2 0 347.450 3.025 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000631749470 460544197 /nfs/dbraw/zinc/54/41/97/460544197.db2.gz QULLRGIWYVZVLK-NRFANRHFSA-N 2 0 327.516 3.033 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543455 460802136 /nfs/dbraw/zinc/80/21/36/460802136.db2.gz BTRQKXJFRBTEFA-NUEKZKHPSA-N 2 0 325.859 3.307 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547498 460804436 /nfs/dbraw/zinc/80/44/36/460804436.db2.gz UDAODSIZVNDVGD-INWMFGNUSA-N 2 0 325.859 3.036 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351305 460825896 /nfs/dbraw/zinc/82/58/96/460825896.db2.gz IMPAZOWLEJVRCE-ZWKOTPCHSA-N 2 0 331.504 3.059 20 0 EGADRP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000635562023 460833587 /nfs/dbraw/zinc/83/35/87/460833587.db2.gz BQXJDLGZLJQRGT-UHFFFAOYSA-N 2 0 345.531 3.087 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635788542 460924715 /nfs/dbraw/zinc/92/47/15/460924715.db2.gz CNJHWDKSMSTSHL-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]CCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000628253242 461063159 /nfs/dbraw/zinc/06/31/59/461063159.db2.gz YSQPECAEFJFERJ-OAHLLOKOSA-N 2 0 344.421 3.338 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccsc1C(F)(F)F)CC[NH+](C)C ZINC000628283462 461072517 /nfs/dbraw/zinc/07/25/17/461072517.db2.gz XAONIJOPOHDGAW-UHFFFAOYSA-N 2 0 337.455 3.082 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)C1 ZINC000652362645 461155053 /nfs/dbraw/zinc/15/50/53/461155053.db2.gz MFCLHIOAWLKBKP-KZNAEPCWSA-N 2 0 341.455 3.202 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000662272332 461159431 /nfs/dbraw/zinc/15/94/31/461159431.db2.gz DWTJIHADHPFPEL-CHWSQXEVSA-N 2 0 328.378 3.249 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662280052 461162186 /nfs/dbraw/zinc/16/21/86/461162186.db2.gz BWWLHQYMCDVRMW-QFBILLFUSA-N 2 0 345.512 3.057 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(C[NH3+])o3)c2)CC1 ZINC000646288252 461172553 /nfs/dbraw/zinc/17/25/53/461172553.db2.gz BEYCNKXMZXMVFZ-UHFFFAOYSA-N 2 0 341.455 3.265 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662311545 461183576 /nfs/dbraw/zinc/18/35/76/461183576.db2.gz BTUMZTBXTOGYER-YLJYHZDGSA-N 2 0 345.531 3.412 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662312737 461184239 /nfs/dbraw/zinc/18/42/39/461184239.db2.gz CSDDJESIKKJCPT-ZHALLVOQSA-N 2 0 343.515 3.194 20 0 EGADRP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312427 461184775 /nfs/dbraw/zinc/18/47/75/461184775.db2.gz CDTWRFVGEGWAQX-ZIFCJYIRSA-N 2 0 331.504 3.045 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313420 461185846 /nfs/dbraw/zinc/18/58/46/461185846.db2.gz NHPVZYVNTAQXOO-CXAGYDPISA-N 2 0 337.895 3.426 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662380000 461223006 /nfs/dbraw/zinc/22/30/06/461223006.db2.gz HTSCHPZFFGNSKL-UHFFFAOYSA-N 2 0 343.496 3.488 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655444037 461254486 /nfs/dbraw/zinc/25/44/86/461254486.db2.gz IBEAXKDKCYPXBK-LKUPVBHCSA-N 2 0 341.499 3.389 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444384 461254540 /nfs/dbraw/zinc/25/45/40/461254540.db2.gz DVMDVHDVYYUDIU-UYAOXDASSA-N 2 0 327.472 3.001 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cc2)C1 ZINC000655444019 461254801 /nfs/dbraw/zinc/25/48/01/461254801.db2.gz HCPHNCHZLFDLEV-LKUPVBHCSA-N 2 0 341.499 3.247 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)c2C1 ZINC000655446781 461254986 /nfs/dbraw/zinc/25/49/86/461254986.db2.gz APKYGPIQYKGSCN-NQIIRXRSSA-N 2 0 341.499 3.377 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137770 461265891 /nfs/dbraw/zinc/26/58/91/461265891.db2.gz NJCABWBLWOROOC-ZHHKINOHSA-N 2 0 341.543 3.138 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000662525452 461282301 /nfs/dbraw/zinc/28/23/01/461282301.db2.gz UYAGLHDILBHBLW-OAQYLSRUSA-N 2 0 349.478 3.133 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662590216 461307141 /nfs/dbraw/zinc/30/71/41/461307141.db2.gz OHLLRRGMXZATSD-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CCC(CC)(CNC(=O)N(C)CC(C)(C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000659454016 461353909 /nfs/dbraw/zinc/35/39/09/461353909.db2.gz CFMFOBIJEJGUGF-MRXNPFEDSA-N 2 0 348.535 3.275 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638312978 461360124 /nfs/dbraw/zinc/36/01/24/461360124.db2.gz LVVWLVXQKWQFGU-VQIMIIECSA-N 2 0 331.504 3.065 20 0 EGADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000641807772 461382401 /nfs/dbraw/zinc/38/24/01/461382401.db2.gz RWVSYVBGWBHDTC-STQMWFEESA-N 2 0 330.259 3.037 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000655712248 461382477 /nfs/dbraw/zinc/38/24/77/461382477.db2.gz PIKDLGXVJIKBRT-ICSRJNTNSA-N 2 0 327.516 3.049 20 0 EGADRP CC[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000646735658 461393170 /nfs/dbraw/zinc/39/31/70/461393170.db2.gz RVLHRPSQHUYWMF-HXUWFJFHSA-N 2 0 337.467 3.181 20 0 EGADRP O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659836927 461446342 /nfs/dbraw/zinc/44/63/42/461446342.db2.gz CXLIDIIQWRNSJT-XUVXKRRUSA-N 2 0 347.547 3.022 20 0 EGADRP COc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)on1 ZINC000659874503 461476594 /nfs/dbraw/zinc/47/65/94/461476594.db2.gz RDQLFVYTMBQZEF-UHFFFAOYSA-N 2 0 329.444 3.027 20 0 EGADRP CC[C@@](C)(C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)OC ZINC000638566872 461490250 /nfs/dbraw/zinc/49/02/50/461490250.db2.gz GDUMQVBXOUWANT-KXBFYZLASA-N 2 0 337.483 3.043 20 0 EGADRP CCO[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000649991450 461502888 /nfs/dbraw/zinc/50/28/88/461502888.db2.gz BUNNIVGEJNUVAK-FGYAAKKASA-N 2 0 340.552 3.260 20 0 EGADRP C[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)CC[C@H]1CCCC[NH+]1C ZINC000659958998 461515187 /nfs/dbraw/zinc/51/51/87/461515187.db2.gz BPCXGFATHHJQNX-CRAIPNDOSA-N 2 0 347.528 3.296 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)c2ccccc12 ZINC000631067996 461518823 /nfs/dbraw/zinc/51/88/23/461518823.db2.gz JKDWSCFOYGTGMC-QGZVFWFLSA-N 2 0 330.447 3.305 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2ccncc2Br)CC1 ZINC000631079239 461528045 /nfs/dbraw/zinc/52/80/45/461528045.db2.gz PIQOZINISSNSMC-UHFFFAOYSA-N 2 0 326.282 3.056 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653168944 461533801 /nfs/dbraw/zinc/53/38/01/461533801.db2.gz UYTBAADWQVRFDA-AHRSYUTCSA-N 2 0 347.547 3.020 20 0 EGADRP COCCc1ncc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)s1 ZINC000631086407 461536822 /nfs/dbraw/zinc/53/68/22/461536822.db2.gz WYZJUSAIJVXLRR-UHFFFAOYSA-N 2 0 339.549 3.180 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000638706536 461545308 /nfs/dbraw/zinc/54/53/08/461545308.db2.gz GKLWBBRHDGOQPV-RBAQFSTRSA-N 2 0 327.516 3.427 20 0 EGADRP COc1ccc([C@H](CNc2[nH+]ccc3[nH]ccc32)[NH+](C)C)cc1OC ZINC000663322617 461557386 /nfs/dbraw/zinc/55/73/86/461557386.db2.gz KOHVCEONIRXMNE-INIZCTEOSA-N 2 0 340.427 3.295 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663343830 461572141 /nfs/dbraw/zinc/57/21/41/461572141.db2.gz GMOLHMLAVHQREL-PXNSSMCTSA-N 2 0 328.500 3.264 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(Cc3ccccc3)CCC2)CC1 ZINC000638782044 461575639 /nfs/dbraw/zinc/57/56/39/461575639.db2.gz XVDHJYRTVAWQCP-UHFFFAOYSA-N 2 0 330.516 3.224 20 0 EGADRP CC[C@H](CC(F)F)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000660107633 461583882 /nfs/dbraw/zinc/58/38/82/461583882.db2.gz QDXHZLPZPYVPSB-MRXNPFEDSA-N 2 0 331.495 3.158 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000653253419 461592814 /nfs/dbraw/zinc/59/28/14/461592814.db2.gz TYFNJZIIBZLGAF-LJQANCHMSA-N 2 0 347.528 3.345 20 0 EGADRP C[C@@H]1SCC[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000647258174 461593306 /nfs/dbraw/zinc/59/33/06/461593306.db2.gz SXRZWIMFFZNAJU-MAUKXSAKSA-N 2 0 333.545 3.201 20 0 EGADRP C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000650146426 461597981 /nfs/dbraw/zinc/59/79/81/461597981.db2.gz ARORQOQDAXDBJI-RCCFBDPRSA-N 2 0 343.515 3.226 20 0 EGADRP c1ccc(-c2noc(C3CC[NH+](CC[C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000643057859 461598624 /nfs/dbraw/zinc/59/86/24/461598624.db2.gz MWNQDUMNRTZWHZ-MRXNPFEDSA-N 2 0 340.471 3.306 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000647281194 461608592 /nfs/dbraw/zinc/60/85/92/461608592.db2.gz BKRCGYZNJDCXLT-HXUWFJFHSA-N 2 0 333.520 3.010 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCC2 ZINC000647282344 461608659 /nfs/dbraw/zinc/60/86/59/461608659.db2.gz PLXZUNYTVPSQDV-IBGZPJMESA-N 2 0 347.572 3.402 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000647287616 461611999 /nfs/dbraw/zinc/61/19/99/461611999.db2.gz NJEVGPXBFOPBJR-RXVVDRJESA-N 2 0 347.547 3.256 20 0 EGADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666411709 461613368 /nfs/dbraw/zinc/61/33/68/461613368.db2.gz DRFIOHLGGIQQQV-RTWAWAEBSA-N 2 0 340.467 3.029 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@]12CCCO2 ZINC000638853131 461619445 /nfs/dbraw/zinc/61/94/45/461619445.db2.gz AEWPDEZMMLGWSK-NJDAHSKKSA-N 2 0 346.515 3.343 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000631194744 461634039 /nfs/dbraw/zinc/63/40/39/461634039.db2.gz PBSFBPXRINPJRI-MISYRCLQSA-N 2 0 328.500 3.446 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000656197747 461642256 /nfs/dbraw/zinc/64/22/56/461642256.db2.gz HOFROVMSFOPIKT-DZGCQCFKSA-N 2 0 330.501 3.125 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000656195695 461642432 /nfs/dbraw/zinc/64/24/32/461642432.db2.gz BVPDZXTWQDENLP-HZSPNIEDSA-N 2 0 343.393 3.023 20 0 EGADRP c1nc([C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)n[nH]1 ZINC000663466725 461654877 /nfs/dbraw/zinc/65/48/77/461654877.db2.gz XHGJHOWFXMPHAY-WMZOPIPTSA-N 2 0 331.508 3.138 20 0 EGADRP COc1cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccn1 ZINC000638969819 461661679 /nfs/dbraw/zinc/66/16/79/461661679.db2.gz IUTMFDIXPQEFOO-JZXOWHBKSA-N 2 0 331.504 3.264 20 0 EGADRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000639022950 461677703 /nfs/dbraw/zinc/67/77/03/461677703.db2.gz KGQXVCCTJVGUCS-GOSISDBHSA-N 2 0 349.478 3.060 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000656257529 461680769 /nfs/dbraw/zinc/68/07/69/461680769.db2.gz KCTDMINFRYWGBT-UHFFFAOYSA-N 2 0 342.462 3.380 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000669510439 461706894 /nfs/dbraw/zinc/70/68/94/461706894.db2.gz IQABIRSRBIUYHH-QZTJIDSGSA-N 2 0 345.874 3.279 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000643462208 461735308 /nfs/dbraw/zinc/73/53/08/461735308.db2.gz FXUJIPAEVJZLGR-OXQOHEQNSA-N 2 0 325.456 3.138 20 0 EGADRP CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000666657051 461741912 /nfs/dbraw/zinc/74/19/12/461741912.db2.gz LMHSBBOFLSVIDK-GOSISDBHSA-N 2 0 344.503 3.277 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NCC[NH2+]C1CC1)C1CCCCC1 ZINC000666657011 461742366 /nfs/dbraw/zinc/74/23/66/461742366.db2.gz FMCGDECBEXASDV-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000643534336 461755400 /nfs/dbraw/zinc/75/54/00/461755400.db2.gz RVEPNUABNZJCKR-ABAIWWIYSA-N 2 0 339.277 3.250 20 0 EGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1F ZINC000643537139 461756085 /nfs/dbraw/zinc/75/60/85/461756085.db2.gz ZYKXGDILCNSFGZ-HZMBPMFUSA-N 2 0 327.241 3.381 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@H]3CCC[C@H]32)cc1 ZINC000643536418 461756653 /nfs/dbraw/zinc/75/66/53/461756653.db2.gz QQVBUVNLCZQTIQ-PLACYPQZSA-N 3 0 339.527 3.161 20 0 EGADRP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647542977 461757487 /nfs/dbraw/zinc/75/74/87/461757487.db2.gz FNODBJNBGBAGOU-MSOLQXFVSA-N 2 0 342.462 3.223 20 0 EGADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543922 461758921 /nfs/dbraw/zinc/75/89/21/461758921.db2.gz ULIJWMLVZHHYDQ-GJZGRUSLSA-N 2 0 330.501 3.350 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647548687 461761621 /nfs/dbraw/zinc/76/16/21/461761621.db2.gz OWZUJZAPFPZLCI-SLBVQIDZSA-N 2 0 337.305 3.358 20 0 EGADRP CO[C@](C)(C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000639146336 461762153 /nfs/dbraw/zinc/76/21/53/461762153.db2.gz HZXZQAINZPHVFV-HXUWFJFHSA-N 2 0 332.488 3.064 20 0 EGADRP Clc1cccc2c1OC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656507218 461771321 /nfs/dbraw/zinc/77/13/21/461771321.db2.gz ZEZVIYDIKGVZKX-QGZVFWFLSA-N 2 0 329.831 3.427 20 0 EGADRP CO[C@@H]1CCC[NH+](CCC(C)CC[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000663758705 461792705 /nfs/dbraw/zinc/79/27/05/461792705.db2.gz ADUDPYSOGOQMRQ-WOJBJXKFSA-N 2 0 340.552 3.405 20 0 EGADRP Cc1ccc(OCCC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1C ZINC000660472310 461799343 /nfs/dbraw/zinc/79/93/43/461799343.db2.gz JBNUDWUKQMTUIL-FQEVSTJZSA-N 2 0 346.515 3.259 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000639220946 461810996 /nfs/dbraw/zinc/81/09/96/461810996.db2.gz ZOFLIUOPYAKKOL-UYAOXDASSA-N 2 0 330.516 3.395 20 0 EGADRP CCOc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639244181 461823517 /nfs/dbraw/zinc/82/35/17/461823517.db2.gz IFYUNGGBTIWRTC-KRWDZBQOSA-N 2 0 348.531 3.089 20 0 EGADRP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647786712 461834660 /nfs/dbraw/zinc/83/46/60/461834660.db2.gz XCTBRLBUWLQZDE-WQZMEWCLSA-N 2 0 327.516 3.190 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788301 461835975 /nfs/dbraw/zinc/83/59/75/461835975.db2.gz HIGVJYQAFIJXOZ-SLFFLAALSA-N 2 0 338.499 3.026 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792343 461836645 /nfs/dbraw/zinc/83/66/45/461836645.db2.gz ZKMDMNXGNWTGSL-KSEOMHKRSA-N 3 0 341.543 3.396 20 0 EGADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647791645 461836956 /nfs/dbraw/zinc/83/69/56/461836956.db2.gz JQXPGYYTDXSGDL-KCQAQPDRSA-N 2 0 328.378 3.062 20 0 EGADRP c1ccc(COc2cnccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647796590 461839366 /nfs/dbraw/zinc/83/93/66/461839366.db2.gz FXHYSRPRQWIBEJ-MISYRCLQSA-N 2 0 337.467 3.138 20 0 EGADRP CCc1nc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2n1C1CC1 ZINC000647796959 461839917 /nfs/dbraw/zinc/83/99/17/461839917.db2.gz SFFWGXLERZHSRU-BRWVUGGUSA-N 2 0 338.499 3.411 20 0 EGADRP c1cc2c(c([C@@H]3CCC[N@H+]3CCCC3CC[NH2+]CC3)c1)OCCO2 ZINC000647883921 461870421 /nfs/dbraw/zinc/87/04/21/461870421.db2.gz KDXWXVDUHVPCIH-SFHVURJKSA-N 2 0 330.472 3.375 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621364 461884744 /nfs/dbraw/zinc/88/47/44/461884744.db2.gz MJBXPSXNHYDBLV-NVXWUHKLSA-N 2 0 342.936 3.208 20 0 EGADRP CC(C)c1cc(N2CCC[C@@H](N3CCOCC3)C2)nc(C(C)C)n1 ZINC000663950417 461884965 /nfs/dbraw/zinc/88/49/65/461884965.db2.gz IUPPCGUOBSWATL-MRXNPFEDSA-N 2 0 332.492 3.024 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666954512 461886604 /nfs/dbraw/zinc/88/66/04/461886604.db2.gz WRPVCNNWPVPMEM-CZUORRHYSA-N 2 0 335.879 3.097 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000656781948 461892532 /nfs/dbraw/zinc/89/25/32/461892532.db2.gz APRUBDIJBIQAID-INIZCTEOSA-N 2 0 328.460 3.190 20 0 EGADRP c1cc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656784414 461893430 /nfs/dbraw/zinc/89/34/30/461893430.db2.gz AXVDHUODDMKAIA-HNNXBMFYSA-N 2 0 330.501 3.350 20 0 EGADRP c1nc([C@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784051 461894697 /nfs/dbraw/zinc/89/46/97/461894697.db2.gz YAKISYGJQYTKSL-NVXWUHKLSA-N 2 0 335.517 3.206 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785983 461895994 /nfs/dbraw/zinc/89/59/94/461895994.db2.gz OUNMMPAHJUEXBJ-QGZVFWFLSA-N 2 0 332.488 3.224 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706113 461899114 /nfs/dbraw/zinc/89/91/14/461899114.db2.gz DJBXJNPKPAATAU-MPGHIAIKSA-N 2 0 338.879 3.067 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706114 461899534 /nfs/dbraw/zinc/89/95/34/461899534.db2.gz DJBXJNPKPAATAU-RLFYNMQTSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000650706542 461899955 /nfs/dbraw/zinc/89/99/55/461899955.db2.gz NDHBBRMYKNFGKR-XNRPHZJLSA-N 2 0 326.843 3.197 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708660 461903841 /nfs/dbraw/zinc/90/38/41/461903841.db2.gz IPRAHZYTKQXXKT-PXNSSMCTSA-N 2 0 332.488 3.435 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC(F)F ZINC000650718809 461911861 /nfs/dbraw/zinc/91/18/61/461911861.db2.gz WRBPOEVURHYCKR-UHFFFAOYSA-N 2 0 340.345 3.184 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000650722176 461914934 /nfs/dbraw/zinc/91/49/34/461914934.db2.gz MUNZLJOGQLUINX-OLMNPRSZSA-N 2 0 338.879 3.209 20 0 EGADRP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723574 461916106 /nfs/dbraw/zinc/91/61/06/461916106.db2.gz QIEVEBUDCWCJML-NUEKZKHPSA-N 2 0 337.533 3.301 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000650723899 461916336 /nfs/dbraw/zinc/91/63/36/461916336.db2.gz VRCNEKOUQPZEDR-BHIYHBOVSA-N 2 0 341.455 3.202 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975696 461916558 /nfs/dbraw/zinc/91/65/58/461916558.db2.gz DSMCKQAFRHWECB-PMPSAXMXSA-N 2 0 349.906 3.379 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975890 461916660 /nfs/dbraw/zinc/91/66/60/461916660.db2.gz HHHWLLWQABMRNI-QZTJIDSGSA-N 2 0 332.488 3.176 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000647976297 461918280 /nfs/dbraw/zinc/91/82/80/461918280.db2.gz MRZWJDVUHIKFNH-CVEARBPZSA-N 2 0 349.906 3.380 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000647976508 461918655 /nfs/dbraw/zinc/91/86/55/461918655.db2.gz POXDCDIQEQYEES-CVEARBPZSA-N 2 0 349.906 3.380 20 0 EGADRP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cs1 ZINC000647976960 461919380 /nfs/dbraw/zinc/91/93/80/461919380.db2.gz WJHXPMHLIVCCTK-UONOGXRCSA-N 2 0 332.473 3.010 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977079 461919460 /nfs/dbraw/zinc/91/94/60/461919460.db2.gz XRERDIUIJVBGKZ-RTBURBONSA-N 2 0 344.499 3.500 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976409 461919615 /nfs/dbraw/zinc/91/96/15/461919615.db2.gz NZISQIOBFCMWLB-YESZJQIVSA-N 2 0 347.478 3.173 20 0 EGADRP c1ccc(CCOCCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978268 461920264 /nfs/dbraw/zinc/92/02/64/461920264.db2.gz PDUYKVLTKQZJMO-LEWJYISDSA-N 2 0 330.516 3.347 20 0 EGADRP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978156 461920932 /nfs/dbraw/zinc/92/09/32/461920932.db2.gz NJKUNPZFDWCBMQ-FGTMMUONSA-N 2 0 339.487 3.040 20 0 EGADRP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1C ZINC000647978332 461921012 /nfs/dbraw/zinc/92/10/12/461921012.db2.gz PZKOVXZSZGFEOH-IRXDYDNUSA-N 2 0 349.544 3.323 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000650761802 461940212 /nfs/dbraw/zinc/94/02/12/461940212.db2.gz KXODQXDGNVLUDQ-BHIFYINESA-N 3 0 341.543 3.409 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000650763285 461941383 /nfs/dbraw/zinc/94/13/83/461941383.db2.gz WYDXEDQJAHXAFY-BDTNDASRSA-N 2 0 341.543 3.266 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000644522328 461969357 /nfs/dbraw/zinc/96/93/57/461969357.db2.gz NSSIVZMVOBNAAY-GHTZIAJQSA-N 2 0 348.531 3.184 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000644522331 461969625 /nfs/dbraw/zinc/96/96/25/461969625.db2.gz NSSIVZMVOBNAAY-WIYYLYMNSA-N 2 0 348.531 3.184 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000657300112 462028582 /nfs/dbraw/zinc/02/85/82/462028582.db2.gz IOTSBNNTVMBYPO-KRWDZBQOSA-N 2 0 342.483 3.452 20 0 EGADRP c1nc2n(c1C[NH2+]Cc1ccc(C[NH+]3CCCCCC3)cc1)CCC2 ZINC000657337220 462056653 /nfs/dbraw/zinc/05/66/53/462056653.db2.gz MZNKHXRLFOHOSB-UHFFFAOYSA-N 2 0 338.499 3.495 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C(C)(C)C ZINC000657363850 462073655 /nfs/dbraw/zinc/07/36/55/462073655.db2.gz PZAZWALXSGMZPS-RBUKOAKNSA-N 2 0 334.504 3.310 20 0 EGADRP OCCOCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000661098296 462102394 /nfs/dbraw/zinc/10/23/94/462102394.db2.gz AQALFZRAGCVIAL-UHFFFAOYSA-N 2 0 346.515 3.036 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](CC)CC)CCO1 ZINC000648425798 462114873 /nfs/dbraw/zinc/11/48/73/462114873.db2.gz QDYKSAOUKHRBSB-MOPGFXCFSA-N 2 0 334.504 3.454 20 0 EGADRP CCCOc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000657435880 462120749 /nfs/dbraw/zinc/12/07/49/462120749.db2.gz HCSKIMBMPRSJQN-UHFFFAOYSA-N 2 0 347.547 3.290 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000657448736 462132292 /nfs/dbraw/zinc/13/22/92/462132292.db2.gz XJGGVOLPOZVOSE-QGZVFWFLSA-N 2 0 334.504 3.312 20 0 EGADRP Cc1c(Br)cncc1CN1CCC(n2ccnc2)CC1 ZINC000667563412 462146551 /nfs/dbraw/zinc/14/65/51/462146551.db2.gz BYZSYLPSNCLJKL-UHFFFAOYSA-N 2 0 335.249 3.186 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000654309119 462151330 /nfs/dbraw/zinc/15/13/30/462151330.db2.gz VSWUKDCYVBKPMB-VQTJNVASSA-N 2 0 343.515 3.275 20 0 EGADRP Cc1ncc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC000667616003 462174932 /nfs/dbraw/zinc/17/49/32/462174932.db2.gz FYGFCZMNWROFFO-OAQYLSRUSA-N 2 0 338.499 3.217 20 0 EGADRP CC[C@](C)([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000639927320 462179241 /nfs/dbraw/zinc/17/92/41/462179241.db2.gz FRSAUSXCVJJSHA-FQEVSTJZSA-N 2 0 349.494 3.030 20 0 EGADRP COc1cccc2c1C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000648769871 462269822 /nfs/dbraw/zinc/26/98/22/462269822.db2.gz HBELKXMRVKQPBO-UHFFFAOYSA-N 2 0 340.467 3.194 20 0 EGADRP C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000657843942 462293978 /nfs/dbraw/zinc/29/39/78/462293978.db2.gz SXEBTOQAGUQDME-KRWDZBQOSA-N 2 0 341.503 3.221 20 0 EGADRP COC1([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000657851247 462296216 /nfs/dbraw/zinc/29/62/16/462296216.db2.gz ZUDSCANZVZDZEE-IBGZPJMESA-N 2 0 345.531 3.136 20 0 EGADRP COC[C@H](CC(C)(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000651736356 462320154 /nfs/dbraw/zinc/32/01/54/462320154.db2.gz WKOCONXEWXIPFR-INIZCTEOSA-N 2 0 348.535 3.475 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000648995222 462362574 /nfs/dbraw/zinc/36/25/74/462362574.db2.gz OTPNQPROQUCVEB-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000665248033 462366951 /nfs/dbraw/zinc/36/69/51/462366951.db2.gz NTMCGROYDKCQGU-VAMGGRTRSA-N 2 0 327.516 3.148 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254624 462371025 /nfs/dbraw/zinc/37/10/25/462371025.db2.gz VPOZEQWYPZSLDC-YGWPLHOASA-N 2 0 333.495 3.172 20 0 EGADRP c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000665252769 462371031 /nfs/dbraw/zinc/37/10/31/462371031.db2.gz YNIFIIXKPDQAEE-YUMYIRISSA-N 2 0 335.495 3.215 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665259144 462374306 /nfs/dbraw/zinc/37/43/06/462374306.db2.gz WIUZWFQPONZWJL-YGWPLHOASA-N 2 0 333.495 3.172 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000658092970 462379949 /nfs/dbraw/zinc/37/99/49/462379949.db2.gz SOVIMQTYJRLPPY-RLLQIKCJSA-N 2 0 329.532 3.359 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000665292942 462389416 /nfs/dbraw/zinc/38/94/16/462389416.db2.gz MSELLPOEDWVDGM-SFHVURJKSA-N 2 0 346.862 3.315 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(C)n1 ZINC000658167944 462416164 /nfs/dbraw/zinc/41/61/64/462416164.db2.gz UTPJPBKTLXZMRF-OAHLLOKOSA-N 2 0 339.487 3.051 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(CO)c1 ZINC000658167726 462416774 /nfs/dbraw/zinc/41/67/74/462416774.db2.gz TZBCCQYKPVCDTN-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)CC3([NH3+])CCC3)ccc21 ZINC000645810457 462433889 /nfs/dbraw/zinc/43/38/89/462433889.db2.gz HMPQFRDBSOTKBP-UHFFFAOYSA-N 2 0 342.487 3.193 20 0 EGADRP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135069 462445471 /nfs/dbraw/zinc/44/54/71/462445471.db2.gz FETUVNSUTULAOQ-MRXNPFEDSA-N 2 0 336.476 3.239 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000649268608 462462586 /nfs/dbraw/zinc/46/25/86/462462586.db2.gz ZBCJMAYLWQQUAJ-UHFFFAOYSA-N 2 0 341.455 3.118 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649288516 462468040 /nfs/dbraw/zinc/46/80/40/462468040.db2.gz WKKNCKIUKKTBBH-INIZCTEOSA-N 2 0 331.504 3.052 20 0 EGADRP CCC(CC)(CNC(=O)c1ccc(C[NH3+])o1)[NH2+][C@H](C)c1ccccc1 ZINC000645964146 462480138 /nfs/dbraw/zinc/48/01/38/462480138.db2.gz FEFAJHNGEGXZOY-OAHLLOKOSA-N 2 0 343.471 3.378 20 0 EGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356621 462488288 /nfs/dbraw/zinc/48/82/88/462488288.db2.gz KLFWOUGCZIBBOC-KRWDZBQOSA-N 2 0 343.515 3.424 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1nc2ccccc2n1C ZINC000658358260 462489793 /nfs/dbraw/zinc/48/97/93/462489793.db2.gz ZTMMMDMFRDATAQ-HNNXBMFYSA-N 2 0 326.488 3.346 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[C@@H](C)[NH3+] ZINC000649378513 462492832 /nfs/dbraw/zinc/49/28/32/462492832.db2.gz CHDLXXIVLIMJPZ-LMMKCTJWSA-N 2 0 337.552 3.109 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178409343 533845811 /nfs/dbraw/zinc/84/58/11/533845811.db2.gz WQIINSXDOLNKEO-INIZCTEOSA-N 2 0 344.503 3.497 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000174628783 527882326 /nfs/dbraw/zinc/88/23/26/527882326.db2.gz UXSFNEGOCQWCJH-CJNGLKHVSA-N 2 0 330.394 3.448 20 0 EGADRP CC[N@H+](CC(C)C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000153715499 527963175 /nfs/dbraw/zinc/96/31/75/527963175.db2.gz IOCIOGYXVFKBLU-GOSISDBHSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187330540 527973899 /nfs/dbraw/zinc/97/38/99/527973899.db2.gz XGJJAGJMPLJZEN-SFHVURJKSA-N 2 0 343.515 3.053 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132312511 528207004 /nfs/dbraw/zinc/20/70/04/528207004.db2.gz OTVXBFLKZRPIEQ-GHTZIAJQSA-N 2 0 347.547 3.396 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132981299 528490897 /nfs/dbraw/zinc/49/08/97/528490897.db2.gz IQKRHJMGNZLUKL-WIYYLYMNSA-N 2 0 348.506 3.483 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000131437540 528664606 /nfs/dbraw/zinc/66/46/06/528664606.db2.gz SCSKJTSWNSCFIY-RLLQIKCJSA-N 2 0 334.504 3.101 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000178694709 528724618 /nfs/dbraw/zinc/72/46/18/528724618.db2.gz WVBFITWWJBEJGA-MOPGFXCFSA-N 2 0 347.547 3.400 20 0 EGADRP CCC[C@@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000179599140 528939746 /nfs/dbraw/zinc/93/97/46/528939746.db2.gz MCTCFVNCAADHTD-NRFANRHFSA-N 2 0 329.532 3.284 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000154552531 529143451 /nfs/dbraw/zinc/14/34/51/529143451.db2.gz KLNLLWBJDNIAOL-JOCHJYFZSA-N 2 0 343.559 3.323 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000154525457 529143608 /nfs/dbraw/zinc/14/36/08/529143608.db2.gz NNTPMAZYCIGFAT-OAQYLSRUSA-N 2 0 329.532 3.461 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CCCc2nc(-c3ccccc3)no2)CC1 ZINC000266016345 535152534 /nfs/dbraw/zinc/15/25/34/535152534.db2.gz UYLOJFWFVRVKBL-UHFFFAOYSA-N 2 0 342.487 3.474 20 0 EGADRP CC(C)COc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000344663803 535226814 /nfs/dbraw/zinc/22/68/14/535226814.db2.gz ARCYMRIYOVPJHL-UHFFFAOYSA-N 2 0 334.504 3.046 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000236885266 535554743 /nfs/dbraw/zinc/55/47/43/535554743.db2.gz UMERFOFGCOHJTC-UHFFFAOYSA-N 2 0 333.476 3.007 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192682872 535557051 /nfs/dbraw/zinc/55/70/51/535557051.db2.gz PTBMROJWNZZUIU-IHWFROFDSA-N 2 0 345.531 3.122 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000344849900 535577620 /nfs/dbraw/zinc/57/76/20/535577620.db2.gz WCZIZBMSFREZOX-HKUYNNGSSA-N 2 0 343.519 3.336 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)C)oc1C ZINC000351809914 535595752 /nfs/dbraw/zinc/59/57/52/535595752.db2.gz MKISFGONPALFMC-KRWDZBQOSA-N 2 0 349.519 3.200 20 0 EGADRP CCn1nccc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350552744 535866938 /nfs/dbraw/zinc/86/69/38/535866938.db2.gz FABVUMSYAFPERB-ICSRJNTNSA-N 2 0 326.488 3.075 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000089551220 546644540 /nfs/dbraw/zinc/64/45/40/546644540.db2.gz MWWOVCCNYBIKAQ-ZWKOTPCHSA-N 2 0 340.471 3.058 20 0 EGADRP CCC[NH+]1CCC(Nc2ccc(CN3CC[NH+](CC)CC3)cc2)CC1 ZINC000129792628 546790186 /nfs/dbraw/zinc/79/01/86/546790186.db2.gz NOQQJMYJFLIICE-UHFFFAOYSA-N 2 0 344.547 3.110 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)N1CC[NH+](C)CC1 ZINC000134383048 546829038 /nfs/dbraw/zinc/82/90/38/546829038.db2.gz JHOHEGCAPWNVTM-WBMJQRKESA-N 2 0 342.314 3.206 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000152672178 546872681 /nfs/dbraw/zinc/87/26/81/546872681.db2.gz VGLMJJXNSQKTIH-AWEZNQCLSA-N 2 0 337.895 3.297 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000157559947 546921206 /nfs/dbraw/zinc/92/12/06/546921206.db2.gz JRFFIXCAPCPBFY-CYBMUJFWSA-N 2 0 330.394 3.448 20 0 EGADRP CCOc1cc2c(cc1C[NH2+][C@H](C)C1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000161732772 546960006 /nfs/dbraw/zinc/96/00/06/546960006.db2.gz UCASNDNLEZVFOK-LSDHHAIUSA-N 2 0 332.488 3.229 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166190694 546988284 /nfs/dbraw/zinc/98/82/84/546988284.db2.gz BUJHVWVGJQQOPQ-VQTJNVASSA-N 3 0 345.531 3.124 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166456857 546990358 /nfs/dbraw/zinc/99/03/58/546990358.db2.gz RYTYMNCOMLEZHL-IXDOHACOSA-N 2 0 349.906 3.144 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000180143223 547053488 /nfs/dbraw/zinc/05/34/88/547053488.db2.gz CHYANZCOPNWRAO-HNNXBMFYSA-N 2 0 330.476 3.290 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000182242381 547078562 /nfs/dbraw/zinc/07/85/62/547078562.db2.gz DIXXTSDWHYONTI-RDTXWAMCSA-N 2 0 345.512 3.259 20 0 EGADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000246052471 547273510 /nfs/dbraw/zinc/27/35/10/547273510.db2.gz YHUMAKWSZNNRIH-JYJNAYRXSA-N 2 0 342.487 3.178 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000272240529 547345628 /nfs/dbraw/zinc/34/56/28/547345628.db2.gz GWEQSMMRUSXNDE-UHFFFAOYSA-N 2 0 346.272 3.349 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000324100591 547471656 /nfs/dbraw/zinc/47/16/56/547471656.db2.gz CKERVEJEDSUPMP-AWEZNQCLSA-N 2 0 343.437 3.382 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339072788 547568910 /nfs/dbraw/zinc/56/89/10/547568910.db2.gz XTSDZLCVIUMSIZ-ACRUOGEOSA-N 2 0 329.532 3.156 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348112207 547628004 /nfs/dbraw/zinc/62/80/04/547628004.db2.gz WFURPTOTNGGDPN-RTWAWAEBSA-N 2 0 327.516 3.102 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000352882850 547689647 /nfs/dbraw/zinc/68/96/47/547689647.db2.gz VATPRVIFRXUIQK-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000398063580 547835779 /nfs/dbraw/zinc/83/57/79/547835779.db2.gz WZFADLRLDDQNLG-LMMKCTJWSA-N 2 0 346.515 3.464 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OCc1cccnc1 ZINC000414935528 547861831 /nfs/dbraw/zinc/86/18/31/547861831.db2.gz YRGNPCWBCKHYMQ-QZTJIDSGSA-N 2 0 341.455 3.029 20 0 EGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCC(C(F)(F)F)CC1 ZINC000442891833 547917238 /nfs/dbraw/zinc/91/72/38/547917238.db2.gz SXTGQUMBULDSQG-FHERZECASA-N 2 0 349.485 3.359 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000484135863 547967281 /nfs/dbraw/zinc/96/72/81/547967281.db2.gz CUGFAIBJTWUEGZ-FQEVSTJZSA-N 2 0 330.516 3.224 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744017 548350214 /nfs/dbraw/zinc/35/02/14/548350214.db2.gz QDFVPHBTFCAFQT-RBSFLKMASA-N 2 0 347.459 3.073 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000673600340 548579947 /nfs/dbraw/zinc/57/99/47/548579947.db2.gz DCXOEKPNNDSPFY-OLZOCXBDSA-N 2 0 343.284 3.451 20 0 EGADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000675742901 548972521 /nfs/dbraw/zinc/97/25/21/548972521.db2.gz XYTCCHRNGJSZAQ-CYBMUJFWSA-N 2 0 329.941 3.468 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000675775627 548979286 /nfs/dbraw/zinc/97/92/86/548979286.db2.gz HSGBUTQKDWIRSZ-JKSUJKDBSA-N 2 0 335.923 3.486 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)C1CC[NH+](C)CC1 ZINC000675775459 548979339 /nfs/dbraw/zinc/97/93/39/548979339.db2.gz GGGNRBZEEJFMRM-OAHLLOKOSA-N 2 0 341.455 3.352 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](CC3CC3)c3ccccc3)C2)CC1 ZINC000675876682 548995792 /nfs/dbraw/zinc/99/57/92/548995792.db2.gz ZGENDJQSKIOKDS-FPOVZHCZSA-N 2 0 327.516 3.286 20 0 EGADRP CCCc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc2[nH+]1 ZINC000676877258 549170170 /nfs/dbraw/zinc/17/01/70/549170170.db2.gz WWBKSQLFNUNUNO-PZJWPPBQSA-N 2 0 339.483 3.223 20 0 EGADRP CCCc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000676876785 549170356 /nfs/dbraw/zinc/17/03/56/549170356.db2.gz HIDBYHALQKWWGK-SFHVURJKSA-N 2 0 339.483 3.488 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000677239946 549234613 /nfs/dbraw/zinc/23/46/13/549234613.db2.gz AKLYJXBQJDUUGH-FHWLQOOXSA-N 2 0 331.479 3.319 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000677237977 549235095 /nfs/dbraw/zinc/23/50/95/549235095.db2.gz SPORKHUWCBIOHI-SZVBFZGTSA-N 2 0 333.907 3.383 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ncccc2C(F)(F)F)C[C@H](C)O1 ZINC000677965003 549367043 /nfs/dbraw/zinc/36/70/43/549367043.db2.gz SYZHRYGCOFDDFG-OKILXGFUSA-N 2 0 345.409 3.079 20 0 EGADRP CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678718781 549547570 /nfs/dbraw/zinc/54/75/70/549547570.db2.gz CMMULRHEYCMNGS-FQEVSTJZSA-N 2 0 345.531 3.076 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000678769649 549557230 /nfs/dbraw/zinc/55/72/30/549557230.db2.gz YLLBBDODTZLSMC-UTKZUKDTSA-N 2 0 329.532 3.173 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000679113525 549638146 /nfs/dbraw/zinc/63/81/46/549638146.db2.gz WYPKAESCMXNYPO-FQEVSTJZSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000679366246 549696776 /nfs/dbraw/zinc/69/67/76/549696776.db2.gz SXSZTCCYXACKBG-HIFRSBDPSA-N 2 0 339.886 3.378 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)n1 ZINC000679770167 549774453 /nfs/dbraw/zinc/77/44/53/549774453.db2.gz ORMQPOKGKLLOBL-JXFKEZNVSA-N 2 0 339.483 3.116 20 0 EGADRP CO[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000680004056 549805000 /nfs/dbraw/zinc/80/50/00/549805000.db2.gz WQKJSZJCDAYNMH-LJQANCHMSA-N 2 0 332.488 3.162 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2ccc(F)c(F)c2)cc1 ZINC000682473498 550103833 /nfs/dbraw/zinc/10/38/33/550103833.db2.gz FQJLKUAXHFTDMZ-UHFFFAOYSA-N 2 0 334.410 3.238 20 0 EGADRP C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000683146019 550196228 /nfs/dbraw/zinc/19/62/28/550196228.db2.gz FSBWJPJQMPYSMQ-JSJNYSNDSA-N 2 0 332.488 3.001 20 0 EGADRP C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000683147601 550196884 /nfs/dbraw/zinc/19/68/84/550196884.db2.gz YUBQQOUKJMSBQP-NFQUHZNNSA-N 2 0 332.488 3.001 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc3cnccc3c2)C[C@H](C)O1 ZINC000683767001 550259526 /nfs/dbraw/zinc/25/95/26/550259526.db2.gz CUBXNONPTZRKIK-IRXDYDNUSA-N 2 0 327.472 3.214 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000684113303 550292463 /nfs/dbraw/zinc/29/24/63/550292463.db2.gz CHHFXASVMQIJPO-SJLPKXTDSA-N 2 0 331.504 3.422 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000684112543 550292626 /nfs/dbraw/zinc/29/26/26/550292626.db2.gz WBSRCGHMWDCBNV-RTBURBONSA-N 2 0 326.488 3.298 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684366919 550320253 /nfs/dbraw/zinc/32/02/53/550320253.db2.gz GSOAIRSVVGIZBG-HZPDHXFCSA-N 2 0 337.939 3.448 20 0 EGADRP C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000684559338 550342929 /nfs/dbraw/zinc/34/29/29/550342929.db2.gz UXOJWMWTLIOZCK-CQSZACIVSA-N 2 0 344.421 3.490 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000684888974 550380818 /nfs/dbraw/zinc/38/08/18/550380818.db2.gz OABSCAZTOSOHPI-KRWDZBQOSA-N 2 0 339.483 3.407 20 0 EGADRP C[N@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457246 550418954 /nfs/dbraw/zinc/41/89/54/550418954.db2.gz OJZGWIPJXLTPRE-GOSISDBHSA-N 2 0 339.886 3.079 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@](C)(O)c2ccccc2)C1 ZINC000733795976 575396755 /nfs/dbraw/zinc/39/67/55/575396755.db2.gz WLPMAKDIGNVROB-SFHLNBCPSA-N 2 0 330.516 3.481 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397936580 1297706430 /nfs/dbraw/zinc/70/64/30/1297706430.db2.gz ODUKZAZMOPFJBS-HZPDHXFCSA-N 2 0 339.524 3.142 20 0 EGADRP CN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000688033235 1298121794 /nfs/dbraw/zinc/12/17/94/1298121794.db2.gz QCYVTWRMAXPKDQ-GOSISDBHSA-N 2 0 341.524 3.100 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1 ZINC000782295196 1304949700 /nfs/dbraw/zinc/94/97/00/1304949700.db2.gz YJWBTFZUYYUYBN-IBGZPJMESA-N 2 0 335.536 3.036 20 0 EGADRP CC(C)Oc1ccccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067453120 1292161218 /nfs/dbraw/zinc/16/12/18/1292161218.db2.gz SMWYIEUUBDZWJX-HDICACEKSA-N 2 0 334.504 3.453 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000069711389 1292249973 /nfs/dbraw/zinc/24/99/73/1292249973.db2.gz KOFZYVFVJUMPDZ-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC000073034090 1292302108 /nfs/dbraw/zinc/30/21/08/1292302108.db2.gz PTWQQGDRKILOFN-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000074230065 1292341869 /nfs/dbraw/zinc/34/18/69/1292341869.db2.gz REXORFZASQYXTQ-UHFFFAOYSA-N 2 0 339.483 3.178 20 0 EGADRP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCCC1 ZINC000074465173 1292350723 /nfs/dbraw/zinc/35/07/23/1292350723.db2.gz FZBZBPLVCDSTJK-QGZVFWFLSA-N 2 0 329.488 3.485 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000089157386 1292758747 /nfs/dbraw/zinc/75/87/47/1292758747.db2.gz KQWVQLWIXKBCBV-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+]CCCCCCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000831127099 1292814625 /nfs/dbraw/zinc/81/46/25/1292814625.db2.gz BKOYVVHXYCTKJP-IBGZPJMESA-N 2 0 346.519 3.032 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)cc1C[NH+]1CCCCC1 ZINC000834905847 1293172080 /nfs/dbraw/zinc/17/20/80/1293172080.db2.gz LWBLJRKILGRCKW-OXQOHEQNSA-N 2 0 346.515 3.493 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H](O)C2CCC2)ccc1OC ZINC000834906651 1293172383 /nfs/dbraw/zinc/17/23/83/1293172383.db2.gz RDAGGOLISUGDER-KXBFYZLASA-N 2 0 334.504 3.349 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1nc(Br)cs1 ZINC000834908106 1293173120 /nfs/dbraw/zinc/17/31/20/1293173120.db2.gz GXGMNLYRLDQHOC-JTQLQIEISA-N 2 0 332.311 3.431 20 0 EGADRP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000120340913 1293316227 /nfs/dbraw/zinc/31/62/27/1293316227.db2.gz JYYALEWMALVCTB-BBWFWOEESA-N 2 0 341.540 3.390 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cccc(O)c3)CC2)cc1 ZINC000131461237 1293691006 /nfs/dbraw/zinc/69/10/06/1293691006.db2.gz ISAUHNCURMUHQS-UHFFFAOYSA-N 2 0 340.467 3.403 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000136589621 1293818239 /nfs/dbraw/zinc/81/82/39/1293818239.db2.gz GJSOHVUCAARPOB-LEWJYISDSA-N 2 0 330.516 3.469 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)cc1F ZINC000151004351 1293902676 /nfs/dbraw/zinc/90/26/76/1293902676.db2.gz ZDEAPLFAAUQGNG-CQSZACIVSA-N 2 0 347.272 3.035 20 0 EGADRP CC(C)N(CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000177549698 1294676804 /nfs/dbraw/zinc/67/68/04/1294676804.db2.gz RGDIMECJFJLEFQ-UHFFFAOYSA-N 2 0 341.540 3.342 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000180933233 1294926978 /nfs/dbraw/zinc/92/69/78/1294926978.db2.gz XZSLYYCBIKPQKM-UHFFFAOYSA-N 2 0 343.487 3.119 20 0 EGADRP CCC[C@H](O)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000182959216 1295087047 /nfs/dbraw/zinc/08/70/47/1295087047.db2.gz PJIRNWFMABBIFR-APWZRJJASA-N 2 0 334.504 3.493 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(CO)CCC2)cc1C[NH+]1CCCCC1 ZINC000184531648 1295201000 /nfs/dbraw/zinc/20/10/00/1295201000.db2.gz JKBHXINRPOGCAD-QGZVFWFLSA-N 2 0 346.515 3.494 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749328 1295283730 /nfs/dbraw/zinc/28/37/30/1295283730.db2.gz PMJZVDIELTZMNA-OHNRDTAOSA-N 2 0 338.442 3.241 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)nc3)cc2)C[C@H](C)O1 ZINC000188980515 1295493570 /nfs/dbraw/zinc/49/35/70/1295493570.db2.gz PJQJDNYYEYAXGI-HOTGVXAUSA-N 2 0 343.446 3.120 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000870956730 1296153372 /nfs/dbraw/zinc/15/33/72/1296153372.db2.gz GGXAQVTZJUWVKO-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(NCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000236604370 1296192469 /nfs/dbraw/zinc/19/24/69/1296192469.db2.gz SSPAYCRAEKKGKO-UHFFFAOYSA-N 2 0 332.879 3.488 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000236652174 1296194228 /nfs/dbraw/zinc/19/42/28/1296194228.db2.gz XGXSOXNQXOPPHV-ZACQAIPSSA-N 2 0 349.544 3.155 20 0 EGADRP C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000237496355 1296245583 /nfs/dbraw/zinc/24/55/83/1296245583.db2.gz IDDFJTQJKNLCCT-IRXDYDNUSA-N 2 0 341.540 3.486 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+](C)C(C)(C)CC3)c2)C1 ZINC000871157083 1296246876 /nfs/dbraw/zinc/24/68/76/1296246876.db2.gz GNFAOOBGGURILN-IBGZPJMESA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCCC[NH3+])cc1 ZINC000237518651 1296248322 /nfs/dbraw/zinc/24/83/22/1296248322.db2.gz IESKHIFHKHLFTH-KRWDZBQOSA-N 2 0 331.504 3.196 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000248147863 1296406447 /nfs/dbraw/zinc/40/64/47/1296406447.db2.gz FPPNPBXZDUJIST-IAGOWNOFSA-N 2 0 335.492 3.043 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248146754 1296406572 /nfs/dbraw/zinc/40/65/72/1296406572.db2.gz QGYFMUKGXBLUBK-OTBWCIGPSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000248631634 1296421804 /nfs/dbraw/zinc/42/18/04/1296421804.db2.gz IBNFKHUBVKWQSP-IXDOHACOSA-N 2 0 339.524 3.286 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1C[NH+]1CCCCC1 ZINC000250050148 1296454013 /nfs/dbraw/zinc/45/40/13/1296454013.db2.gz LTCJBILQMWREGZ-RYGJVYDSSA-N 2 0 346.515 3.491 20 0 EGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1Cl ZINC000261830255 1296605066 /nfs/dbraw/zinc/60/50/66/1296605066.db2.gz XMBJINQVINGQKK-INIZCTEOSA-N 2 0 335.879 3.133 20 0 EGADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(SC)cc1OC ZINC000262149813 1296620798 /nfs/dbraw/zinc/62/07/98/1296620798.db2.gz ZTQWDXONSVPXPM-UHFFFAOYSA-N 2 0 336.501 3.001 20 0 EGADRP COC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000264937085 1296693733 /nfs/dbraw/zinc/69/37/33/1296693733.db2.gz DMJIAGNQPCESBR-FQEVSTJZSA-N 2 0 328.456 3.104 20 0 EGADRP CC1(C)CCc2onc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2C1 ZINC000872143830 1296764624 /nfs/dbraw/zinc/76/46/24/1296764624.db2.gz XWDDZLAGFYRDEC-HZPDHXFCSA-N 2 0 331.504 3.401 20 0 EGADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156493 1296775849 /nfs/dbraw/zinc/77/58/49/1296775849.db2.gz KEGBNPALZUZOEB-ZHALLVOQSA-N 2 0 335.536 3.007 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301219357 1296786817 /nfs/dbraw/zinc/78/68/17/1296786817.db2.gz CFDIREJCBYJDQM-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000304788371 1296945074 /nfs/dbraw/zinc/94/50/74/1296945074.db2.gz AYRPCAOFBWZMGK-SJORKVTESA-N 2 0 341.540 3.486 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000305103719 1296978270 /nfs/dbraw/zinc/97/82/70/1296978270.db2.gz CEQOVRVNWSSKMQ-RLCCDNCMSA-N 2 0 331.287 3.347 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000305103717 1296978491 /nfs/dbraw/zinc/97/84/91/1296978491.db2.gz CEQOVRVNWSSKMQ-KNXALSJPSA-N 2 0 331.287 3.347 20 0 EGADRP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000305777297 1297049321 /nfs/dbraw/zinc/04/93/21/1297049321.db2.gz PLBWQFVQIBMPII-UXHICEINSA-N 2 0 330.516 3.322 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000311181314 1297105531 /nfs/dbraw/zinc/10/55/31/1297105531.db2.gz YTYWSOKWNXRMLL-OXQOHEQNSA-N 2 0 346.421 3.110 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c1CC[NH2+]C2 ZINC000328355163 1297254480 /nfs/dbraw/zinc/25/44/80/1297254480.db2.gz ZGFBUTLDSCQBLL-UHFFFAOYSA-N 2 0 335.451 3.180 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2n2cncn2)CC1 ZINC000340464383 1297312637 /nfs/dbraw/zinc/31/26/37/1297312637.db2.gz OLCWHMVSMZDPPO-QRVBRYPASA-N 2 0 333.524 3.110 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000345788059 1297338708 /nfs/dbraw/zinc/33/87/08/1297338708.db2.gz CFINRUKTJOSVMQ-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204382 1297349024 /nfs/dbraw/zinc/34/90/24/1297349024.db2.gz COWYCMOWRYFRGI-IRXDYDNUSA-N 2 0 347.572 3.480 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000873204856 1297351292 /nfs/dbraw/zinc/35/12/92/1297351292.db2.gz HVZUCSYDKGWGLI-QGZVFWFLSA-N 3 0 347.572 3.338 20 0 EGADRP Cc1cnccc1OC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873208687 1297352560 /nfs/dbraw/zinc/35/25/60/1297352560.db2.gz RXIIOMKWSQRBRA-UHFFFAOYSA-N 2 0 343.496 3.141 20 0 EGADRP CCN(CC)C(=O)C1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CCCCC1 ZINC000873206889 1297352853 /nfs/dbraw/zinc/35/28/53/1297352853.db2.gz MVNJTYRDXLKEQU-UHFFFAOYSA-N 2 0 349.544 3.055 20 0 EGADRP c1c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873210190 1297354941 /nfs/dbraw/zinc/35/49/41/1297354941.db2.gz YLOXAVJTDUYMDW-OAHLLOKOSA-N 2 0 328.481 3.295 20 0 EGADRP COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213953 1297355310 /nfs/dbraw/zinc/35/53/10/1297355310.db2.gz SKIUFSOYWZYQQB-OAHLLOKOSA-N 2 0 330.453 3.016 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCSc3ccc(Br)cc32)C1 ZINC000873257015 1297392428 /nfs/dbraw/zinc/39/24/28/1297392428.db2.gz CYODFVDRRBHGKR-GAFUQQFSSA-N 2 0 327.291 3.313 20 0 EGADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257465 1297392586 /nfs/dbraw/zinc/39/25/86/1297392586.db2.gz SLTBSSYBOPFRGK-FVQBIDKESA-N 2 0 325.294 3.487 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260098 1297394770 /nfs/dbraw/zinc/39/47/70/1297394770.db2.gz SDFBZZQAJOAKKC-CLROSIBMSA-N 2 0 335.879 3.177 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000873289167 1297411262 /nfs/dbraw/zinc/41/12/62/1297411262.db2.gz GEHKOUVWDUOUNN-TZMCWYRMSA-N 2 0 326.843 3.288 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2c(c1)CCCO2 ZINC000873292230 1297414294 /nfs/dbraw/zinc/41/42/94/1297414294.db2.gz PQONOQTZWONTDB-OALUTQOASA-N 2 0 344.499 3.211 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873294155 1297415472 /nfs/dbraw/zinc/41/54/72/1297415472.db2.gz UAUSVXSHBYJPTF-WOJBJXKFSA-N 2 0 328.500 3.064 20 0 EGADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000873294528 1297416946 /nfs/dbraw/zinc/41/69/46/1297416946.db2.gz WEGQFRCPHCZZJR-ZCNNSNEGSA-N 2 0 328.500 3.146 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000378961438 1297531501 /nfs/dbraw/zinc/53/15/01/1297531501.db2.gz QVISUBLOPPRGTF-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379666333 1297538003 /nfs/dbraw/zinc/53/80/03/1297538003.db2.gz WBDMXHYVGQIMEL-AFYVEPGGSA-N 2 0 343.515 3.063 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000396467404 1297687585 /nfs/dbraw/zinc/68/75/85/1297687585.db2.gz UTIDYBNHUNXZQT-WBMJQRKESA-N 2 0 330.394 3.059 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000874244895 1297827463 /nfs/dbraw/zinc/82/74/63/1297827463.db2.gz QMTGGKMDUQSQEQ-FQEVSTJZSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444800276 1297860995 /nfs/dbraw/zinc/86/09/95/1297860995.db2.gz JAKSFNONBJBDAB-QWHCGFSZSA-N 2 0 343.456 3.472 20 0 EGADRP C[NH2+]CC[C@@H](C)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000691902864 1298139303 /nfs/dbraw/zinc/13/93/03/1298139303.db2.gz YEBHVZZELGLUOX-LJQANCHMSA-N 2 0 329.532 3.363 20 0 EGADRP COc1cncc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000700058223 1298174335 /nfs/dbraw/zinc/17/43/35/1298174335.db2.gz IRFLSZSPVJZIKA-SFHVURJKSA-N 2 0 325.456 3.092 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000700800729 1298180292 /nfs/dbraw/zinc/18/02/92/1298180292.db2.gz VGFPYXOZRSWVTM-BRWVUGGUSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000708552621 1298242699 /nfs/dbraw/zinc/24/26/99/1298242699.db2.gz WIWTZKCGICRUDK-YJBOKZPZSA-N 2 0 328.431 3.389 20 0 EGADRP C[C@H]1C[C@@H](N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000709341860 1298248427 /nfs/dbraw/zinc/24/84/27/1298248427.db2.gz GQYHBKFYMHBOFX-FHBGEGHHSA-N 2 0 327.516 3.158 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000715201495 1298278959 /nfs/dbraw/zinc/27/89/59/1298278959.db2.gz LLZSWTSRZYPMEE-LUKYLMHMSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H](C(=O)NCCCCCCC[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000746884164 1298679866 /nfs/dbraw/zinc/67/98/66/1298679866.db2.gz DSTISHKPEUPERP-OTWHNJEPSA-N 2 0 337.552 3.410 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(Cl)c1N ZINC000876986675 1299100671 /nfs/dbraw/zinc/10/06/71/1299100671.db2.gz IPSMACVUSKTXAP-UHFFFAOYSA-N 2 0 333.863 3.152 20 0 EGADRP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877069849 1299144437 /nfs/dbraw/zinc/14/44/37/1299144437.db2.gz HMAFRKRHYNRHKM-HZPDHXFCSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H]1C[C@@H](NCc2ccc(Cl)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000877076203 1299147526 /nfs/dbraw/zinc/14/75/26/1299147526.db2.gz NVIUZMGWGMZCFH-ZBFHGGJFSA-N 2 0 330.863 3.273 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000877200550 1299204544 /nfs/dbraw/zinc/20/45/44/1299204544.db2.gz LOOMEYALUKCKRZ-LJQANCHMSA-N 2 0 331.504 3.093 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000877200548 1299204780 /nfs/dbraw/zinc/20/47/80/1299204780.db2.gz LOOMEYALUKCKRZ-IBGZPJMESA-N 2 0 331.504 3.093 20 0 EGADRP [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1)C1CCCC1 ZINC000877451368 1299311043 /nfs/dbraw/zinc/31/10/43/1299311043.db2.gz KGHVEMXPTBGXGU-QRWLVFNGSA-N 2 0 341.499 3.050 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccccc3OCCCCO)C2)CC1 ZINC000877497553 1299347828 /nfs/dbraw/zinc/34/78/28/1299347828.db2.gz SVRFOAYLOKXTID-UHFFFAOYSA-N 2 0 346.515 3.146 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877596846 1299423001 /nfs/dbraw/zinc/42/30/01/1299423001.db2.gz YINBCCFPPJHNSG-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750856855 1299464535 /nfs/dbraw/zinc/46/45/35/1299464535.db2.gz AAQSZLBUEUSSFM-UHFFFAOYSA-N 2 0 335.536 3.166 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000877684734 1299477251 /nfs/dbraw/zinc/47/72/51/1299477251.db2.gz VEUOTFOHHBDLIH-INIZCTEOSA-N 2 0 335.517 3.302 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C)c1 ZINC000751012505 1299496780 /nfs/dbraw/zinc/49/67/80/1299496780.db2.gz VHAAURBUYWFUQI-SFHVURJKSA-N 2 0 348.560 3.040 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000751947180 1299661708 /nfs/dbraw/zinc/66/17/08/1299661708.db2.gz VNXYBIHXKSMSSP-UHFFFAOYSA-N 2 0 343.471 3.038 20 0 EGADRP Cc1ccc(-c2noc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)n2)cc1 ZINC000879247346 1300451241 /nfs/dbraw/zinc/45/12/41/1300451241.db2.gz SFUVZDSRPDCGFT-UHFFFAOYSA-N 2 0 340.471 3.353 20 0 EGADRP Cc1ccccc1NC(=O)CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249788 1300453163 /nfs/dbraw/zinc/45/31/63/1300453163.db2.gz BGRSMYDQHKLVIG-UHFFFAOYSA-N 2 0 329.488 3.131 20 0 EGADRP COc1cc(C[NH+]2CC[C@@H](CF)C2)cc(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880299516 1301037516 /nfs/dbraw/zinc/03/75/16/1301037516.db2.gz HYMCNVHPDOLESU-HOTGVXAUSA-N 2 0 338.442 3.278 20 0 EGADRP COc1cc(C[NH+]2CC[C@H](CF)C2)cc(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880299517 1301038729 /nfs/dbraw/zinc/03/87/29/1301038729.db2.gz HYMCNVHPDOLESU-HZPDHXFCSA-N 2 0 338.442 3.278 20 0 EGADRP CN(c1ccccc1C[NH2+]C1CCC(C)(O)CC1)C1CC[NH+](C)CC1 ZINC000759825065 1301169487 /nfs/dbraw/zinc/16/94/87/1301169487.db2.gz WATXJUNXWHWUKO-UHFFFAOYSA-N 2 0 345.531 3.000 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCC2CC(O)C2)ccc1OC ZINC000762644197 1301719193 /nfs/dbraw/zinc/71/91/93/1301719193.db2.gz LNAGJNNHHMIQMW-MDCZIUGASA-N 2 0 334.504 3.349 20 0 EGADRP CCC(CC)(CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000763049604 1301812358 /nfs/dbraw/zinc/81/23/58/1301812358.db2.gz RRVDZAQDPLIOHE-QGZVFWFLSA-N 2 0 345.531 3.497 20 0 EGADRP CN(C)[C@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1cccc(Cl)c1 ZINC000882506663 1301996658 /nfs/dbraw/zinc/99/66/58/1301996658.db2.gz ALQLCYVHWCHBNG-KRWDZBQOSA-N 2 0 349.906 3.030 20 0 EGADRP COc1ccc2c(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc[nH+]c2c1 ZINC000765456975 1302267054 /nfs/dbraw/zinc/26/70/54/1302267054.db2.gz ISIQGHKUDBAWRU-GASCZTMLSA-N 2 0 329.444 3.155 20 0 EGADRP COc1ccc2c(NC3CC[NH+](C[C@H]4CCCO4)CC3)cc[nH+]c2c1 ZINC000765463059 1302268647 /nfs/dbraw/zinc/26/86/47/1302268647.db2.gz GUANAKDFCUNWTG-QGZVFWFLSA-N 2 0 341.455 3.299 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000765766975 1302321798 /nfs/dbraw/zinc/32/17/98/1302321798.db2.gz DFJGIUUUVVWFQW-HNNXBMFYSA-N 2 0 331.460 3.026 20 0 EGADRP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000766359913 1302438506 /nfs/dbraw/zinc/43/85/06/1302438506.db2.gz IKQVREMOLYTECB-SJORKVTESA-N 2 0 333.520 3.108 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000883461832 1302452282 /nfs/dbraw/zinc/45/22/82/1302452282.db2.gz DYMQQHJDBYDERT-PMACEKPBSA-N 2 0 346.515 3.266 20 0 EGADRP c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C[C@H]1CCCN21 ZINC000883462665 1302453688 /nfs/dbraw/zinc/45/36/88/1302453688.db2.gz WXXGGLNRROVLSR-OAQYLSRUSA-N 2 0 333.479 3.317 20 0 EGADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857199133 1328524534 /nfs/dbraw/zinc/52/45/34/1328524534.db2.gz COQXPQPZZXPEOU-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP COc1ccc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000768198658 1302854157 /nfs/dbraw/zinc/85/41/57/1302854157.db2.gz CBEXVVVQPVXUCI-UHFFFAOYSA-N 2 0 346.446 3.407 20 0 EGADRP FC(F)C1CC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000768678858 1302958194 /nfs/dbraw/zinc/95/81/94/1302958194.db2.gz QHWHTBCDJWZFKE-UHFFFAOYSA-N 2 0 337.458 3.222 20 0 EGADRP C[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000769685173 1303157673 /nfs/dbraw/zinc/15/76/73/1303157673.db2.gz QTHJKLBJUOOUBL-BRWVUGGUSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000771509118 1303414969 /nfs/dbraw/zinc/41/49/69/1303414969.db2.gz PKBNXZIVOISSPV-XLIONFOSSA-N 2 0 331.504 3.060 20 0 EGADRP Cn1nc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c2ccccc21 ZINC000886589750 1303514541 /nfs/dbraw/zinc/51/45/41/1303514541.db2.gz DEQQJQRMFFAMGV-UHFFFAOYSA-N 2 0 326.488 3.460 20 0 EGADRP CC1(C)CC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC(C)(C)[NH2+]1 ZINC000774576970 1303830585 /nfs/dbraw/zinc/83/05/85/1303830585.db2.gz HNPXEZPEZCEDFF-OAHLLOKOSA-N 2 0 328.859 3.411 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)ccc1OC ZINC000775386687 1303952221 /nfs/dbraw/zinc/95/22/21/1303952221.db2.gz SWQXCHZQEYFYRM-LPHOPBHVSA-N 2 0 345.531 3.424 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000775687152 1304015542 /nfs/dbraw/zinc/01/55/42/1304015542.db2.gz OJKBYADOCNDLNA-YLJYHZDGSA-N 2 0 338.499 3.148 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000779064103 1304524737 /nfs/dbraw/zinc/52/47/37/1304524737.db2.gz CJAYWTOKVWMKGK-HOTGVXAUSA-N 2 0 341.540 3.342 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000779385644 1304564814 /nfs/dbraw/zinc/56/48/14/1304564814.db2.gz SOPOZCGTTKNOOJ-OLZOCXBDSA-N 2 0 346.462 3.252 20 0 EGADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889825994 1304598140 /nfs/dbraw/zinc/59/81/40/1304598140.db2.gz HCVOBRANLBNXAF-UHFFFAOYSA-N 2 0 341.499 3.029 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782761882 1305010655 /nfs/dbraw/zinc/01/06/55/1305010655.db2.gz AMNZFZYYAGPKGL-UXHICEINSA-N 2 0 334.504 3.101 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC[C@H]2C)cc1 ZINC000783921408 1305162189 /nfs/dbraw/zinc/16/21/89/1305162189.db2.gz RUESMZXNZRWDDA-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@H]2C)cc1)C(C)C ZINC000783917289 1305162302 /nfs/dbraw/zinc/16/23/02/1305162302.db2.gz MHDRXEYLHDLCSR-QGZVFWFLSA-N 2 0 331.504 3.131 20 0 EGADRP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C2CC2)n1 ZINC000892146645 1305268088 /nfs/dbraw/zinc/26/80/88/1305268088.db2.gz YECWXILXBGHROW-UHFFFAOYSA-N 2 0 330.520 3.386 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nc1 ZINC000892470727 1305391149 /nfs/dbraw/zinc/39/11/49/1305391149.db2.gz XZPKBTJMVSLFOS-UHFFFAOYSA-N 2 0 325.456 3.366 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)C1 ZINC000892598987 1305460559 /nfs/dbraw/zinc/46/05/59/1305460559.db2.gz FOZNGPSNTAYQTC-FMYUPENNSA-N 2 0 348.556 3.165 20 0 EGADRP C[NH+]1CCC(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)CC1 ZINC000893198427 1305757103 /nfs/dbraw/zinc/75/71/03/1305757103.db2.gz IBTFHZSSBNXGSC-UHFFFAOYSA-N 2 0 345.409 3.189 20 0 EGADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2NC1=O ZINC000893356148 1305847347 /nfs/dbraw/zinc/84/73/47/1305847347.db2.gz KAZKIXXWSZBTOH-XLOFPCCBSA-N 2 0 343.471 3.072 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C[C@H](C)O1 ZINC000788646890 1305991269 /nfs/dbraw/zinc/99/12/69/1305991269.db2.gz TVGKRRAMKWSYLE-IJEWVQPXSA-N 2 0 337.895 3.201 20 0 EGADRP Cc1cc(-c2noc([C@H](C)[NH2+]CC3CC[NH+](C)CC3)n2)ccc1F ZINC000893979362 1306160156 /nfs/dbraw/zinc/16/01/56/1306160156.db2.gz JKUUZKPDNFWSKE-ZDUSSCGKSA-N 2 0 332.423 3.177 20 0 EGADRP Fc1cccc(/C=C/C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000894065206 1306199738 /nfs/dbraw/zinc/19/97/38/1306199738.db2.gz SWJVRKIRUHPWMT-GQCTYLIASA-N 2 0 332.463 3.416 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n(C)n1 ZINC000793538333 1309397537 /nfs/dbraw/zinc/39/75/37/1309397537.db2.gz BLYDFOQOWAVSMT-QGZVFWFLSA-N 2 0 342.487 3.054 20 0 EGADRP COc1ccc(F)cc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000895805257 1309528830 /nfs/dbraw/zinc/52/88/30/1309528830.db2.gz BACUVVAGEWDKAY-UHFFFAOYSA-N 2 0 329.419 3.030 20 0 EGADRP CN(c1ccccc1CN1CCn2cccc2C1)C1CC[NH+](C)CC1 ZINC000896760106 1310002431 /nfs/dbraw/zinc/00/24/31/1310002431.db2.gz ISBYKZFPEYSVEG-UHFFFAOYSA-N 2 0 338.499 3.034 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000897006823 1310132711 /nfs/dbraw/zinc/13/27/11/1310132711.db2.gz UUYPYGGNOBZTQR-HKUYNNGSSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000798956976 1310463864 /nfs/dbraw/zinc/46/38/64/1310463864.db2.gz SDXANZBDZFSZSU-UHFFFAOYSA-N 2 0 342.462 3.319 20 0 EGADRP CC[NH+](CC)CCCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000800166912 1310688598 /nfs/dbraw/zinc/68/85/98/1310688598.db2.gz YYAMOYLWQNQWNC-LJQANCHMSA-N 2 0 332.488 3.174 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000800473608 1310765152 /nfs/dbraw/zinc/76/51/52/1310765152.db2.gz BMRMKXDWZIQXOR-PMACEKPBSA-N 2 0 328.500 3.447 20 0 EGADRP CCc1ccc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000827390846 1320450236 /nfs/dbraw/zinc/45/02/36/1320450236.db2.gz SNZJREZBDIEGST-GOSISDBHSA-N 2 0 339.483 3.274 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000839181460 1320887554 /nfs/dbraw/zinc/88/75/54/1320887554.db2.gz IRBQIHWIXQDFCQ-KRWDZBQOSA-N 2 0 346.906 3.406 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857256567 1328525405 /nfs/dbraw/zinc/52/54/05/1328525405.db2.gz HBDRDFOUMOFSRW-UXHICEINSA-N 2 0 343.515 3.100 20 0 EGADRP C[NH+](C)C1CCC(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857291106 1328526703 /nfs/dbraw/zinc/52/67/03/1328526703.db2.gz TUZJJSPPDKCSHF-XEVCZEQESA-N 2 0 343.515 3.098 20 0 EGADRP C[NH+](C)C1(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)CCCCC1 ZINC000929304768 1328561519 /nfs/dbraw/zinc/56/15/19/1328561519.db2.gz ISPZDIBJRZEDMK-UHFFFAOYSA-N 2 0 347.503 3.260 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001018963327 1316987958 /nfs/dbraw/zinc/98/79/58/1316987958.db2.gz JWWHUWAFHQGLQA-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018990785 1316996128 /nfs/dbraw/zinc/99/61/28/1316996128.db2.gz PQFDSELMXVSWOX-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019076292 1317035620 /nfs/dbraw/zinc/03/56/20/1317035620.db2.gz UQUBDARGCLGDKL-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019094700 1317041063 /nfs/dbraw/zinc/04/10/63/1317041063.db2.gz ITLXLIARBOIAHV-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001019337606 1317175999 /nfs/dbraw/zinc/17/59/99/1317175999.db2.gz RHZIYBYGCXYDRS-AZUAARDMSA-N 2 0 345.531 3.087 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001019381311 1317206289 /nfs/dbraw/zinc/20/62/89/1317206289.db2.gz FLRKRZUJKJPGGP-RBUKOAKNSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900230220 1317255582 /nfs/dbraw/zinc/25/55/82/1317255582.db2.gz YWDIRQLEZIVYCN-VQTJNVASSA-N 2 0 343.515 3.160 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001019815485 1317439176 /nfs/dbraw/zinc/43/91/76/1317439176.db2.gz GSVAGFYBNBILPG-PMACEKPBSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001019822795 1317439705 /nfs/dbraw/zinc/43/97/05/1317439705.db2.gz DAUXQWUVBXGDMV-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555403 1317452813 /nfs/dbraw/zinc/45/28/13/1317452813.db2.gz AURGWAWRXVNDDT-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC000957559122 1317456352 /nfs/dbraw/zinc/45/63/52/1317456352.db2.gz BXLQLACSEXIJRS-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000902320811 1317563478 /nfs/dbraw/zinc/56/34/78/1317563478.db2.gz RJFRRPGZCXKCEE-KRWDZBQOSA-N 2 0 341.455 3.400 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001020156396 1317567643 /nfs/dbraw/zinc/56/76/43/1317567643.db2.gz KJZLJVTWVBKSFQ-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000902428792 1317577864 /nfs/dbraw/zinc/57/78/64/1317577864.db2.gz AKTRVWPWMVMVLU-GHTZIAJQSA-N 2 0 344.499 3.285 20 0 EGADRP C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cn1 ZINC000902503559 1317585226 /nfs/dbraw/zinc/58/52/26/1317585226.db2.gz SOWIVPNYXLLTMK-IXDGSTSKSA-N 2 0 327.403 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020239122 1317604039 /nfs/dbraw/zinc/60/40/39/1317604039.db2.gz OYPUEEHOIPMAOD-WFAGLZIHSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020237809 1317604358 /nfs/dbraw/zinc/60/43/58/1317604358.db2.gz DKCBDAZUMGJMEZ-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020239394 1317604700 /nfs/dbraw/zinc/60/47/00/1317604700.db2.gz ZDXLHNDKJUOTJQ-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP CC1(C)CC(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001020240178 1317604748 /nfs/dbraw/zinc/60/47/48/1317604748.db2.gz ZOKOBTGGJYSXCA-LNLFQRSKSA-N 2 0 347.547 3.066 20 0 EGADRP CCO[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000902793473 1317616364 /nfs/dbraw/zinc/61/63/64/1317616364.db2.gz IPYOSBMORWOZGY-QUCCMNQESA-N 2 0 334.504 3.107 20 0 EGADRP CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000808169432 1317637806 /nfs/dbraw/zinc/63/78/06/1317637806.db2.gz AHCUXGBNFRQAAH-FQEVSTJZSA-N 2 0 335.536 3.181 20 0 EGADRP CC[N@H+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000957776361 1317639868 /nfs/dbraw/zinc/63/98/68/1317639868.db2.gz HTVBRXUYOPBRPR-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000957778026 1317641876 /nfs/dbraw/zinc/64/18/76/1317641876.db2.gz KRIZCVSKKLMSPG-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903065310 1317647074 /nfs/dbraw/zinc/64/70/74/1317647074.db2.gz CJFIGORARFINHT-HNNXBMFYSA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903091448 1317650192 /nfs/dbraw/zinc/65/01/92/1317650192.db2.gz UHEUVHCWWIEOHG-HZPDHXFCSA-N 2 0 339.524 3.142 20 0 EGADRP c1ccc2nc(NCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)ccc2c1 ZINC000903125605 1317658498 /nfs/dbraw/zinc/65/84/98/1317658498.db2.gz NPIZKOVFDCPCPW-JLYLLQBASA-N 2 0 336.483 3.394 20 0 EGADRP c1cncc([C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)c1 ZINC000903185286 1317668296 /nfs/dbraw/zinc/66/82/96/1317668296.db2.gz CUIGKLNSHXHNHE-AEOXZHQRSA-N 2 0 327.472 3.049 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3cc(N(C)C)cc[nH+]3)CC2)C1 ZINC000903201923 1317673508 /nfs/dbraw/zinc/67/35/08/1317673508.db2.gz RHXDFPLQUNFRTI-OXQOHEQNSA-N 2 0 330.520 3.280 20 0 EGADRP c1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C2CC2)nc1 ZINC000903201671 1317674296 /nfs/dbraw/zinc/67/42/96/1317674296.db2.gz ZJMWFFVUFTURGQ-NRFANRHFSA-N 2 0 336.483 3.430 20 0 EGADRP CCN1CCC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000903389453 1317695002 /nfs/dbraw/zinc/69/50/02/1317695002.db2.gz VMZOAEMBSADLSG-MHJFOBGBSA-N 2 0 343.515 3.030 20 0 EGADRP Brc1cncc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)c1 ZINC000903565864 1317707499 /nfs/dbraw/zinc/70/74/99/1317707499.db2.gz FJQZAXZFBUGHTG-INIZCTEOSA-N 2 0 338.293 3.371 20 0 EGADRP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735415 1317728869 /nfs/dbraw/zinc/72/88/69/1317728869.db2.gz ZSEBTLDPZQECFP-JTDSTZFVSA-N 2 0 332.463 3.367 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)O1 ZINC000903750319 1317729556 /nfs/dbraw/zinc/72/95/56/1317729556.db2.gz XGDBBMMNXVUEBP-JONQDZQNSA-N 2 0 334.426 3.198 20 0 EGADRP c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](C[C@@H]4CCCC[NH2+]C4)C3)n2)cc1 ZINC000903755473 1317730029 /nfs/dbraw/zinc/73/00/29/1317730029.db2.gz HUGYZILFMCLFGN-AEFFLSMTSA-N 2 0 339.487 3.041 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020499928 1317730374 /nfs/dbraw/zinc/73/03/74/1317730374.db2.gz INIGPMLZFXHTQZ-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000903792990 1317735648 /nfs/dbraw/zinc/73/56/48/1317735648.db2.gz KORSUOJRGCSHQL-JKSUJKDBSA-N 2 0 342.405 3.089 20 0 EGADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000903829809 1317738914 /nfs/dbraw/zinc/73/89/14/1317738914.db2.gz LIXZODCGTKNPRC-IBGZPJMESA-N 2 0 329.532 3.363 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000903933893 1317751963 /nfs/dbraw/zinc/75/19/63/1317751963.db2.gz AFNZKPKEUCOXTG-XPGWFJOJSA-N 2 0 339.487 3.177 20 0 EGADRP CCOc1cc(C[NH2+]CCC(C)(C)[NH3+])ccc1OCC(F)(F)F ZINC000903939401 1317752321 /nfs/dbraw/zinc/75/23/21/1317752321.db2.gz ZJMVKHLMEFORDV-UHFFFAOYSA-N 2 0 334.382 3.243 20 0 EGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326399 1317831440 /nfs/dbraw/zinc/83/14/40/1317831440.db2.gz ITGODPMGKAJRHA-NHCUHLMSSA-N 2 0 329.532 3.220 20 0 EGADRP COc1ccc([C@H](CNC[C@]2(C)CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000904364924 1317837533 /nfs/dbraw/zinc/83/75/33/1317837533.db2.gz UHDNZRKUIXFYLO-LEWJYISDSA-N 2 0 345.531 3.202 20 0 EGADRP C[C@H](O)c1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000809588277 1317838214 /nfs/dbraw/zinc/83/82/14/1317838214.db2.gz XQMMXMOYYVXQAK-HNNXBMFYSA-N 2 0 337.533 3.284 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000904405362 1317843888 /nfs/dbraw/zinc/84/38/88/1317843888.db2.gz LMQRMBOVNSUYQI-LBPRGKRZSA-N 2 0 338.377 3.266 20 0 EGADRP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904410000 1317843958 /nfs/dbraw/zinc/84/39/58/1317843958.db2.gz LKGLEVCALVSLRR-CYBMUJFWSA-N 2 0 326.868 3.308 20 0 EGADRP C[C@@H]1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H]1CCC[NH3+] ZINC000904430386 1317845935 /nfs/dbraw/zinc/84/59/35/1317845935.db2.gz HWAANEDOZCWBAH-VQIMIIECSA-N 2 0 346.519 3.162 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000904459516 1317850039 /nfs/dbraw/zinc/85/00/39/1317850039.db2.gz TYPOLWVBKPBKSB-UHFFFAOYSA-N 2 0 346.478 3.365 20 0 EGADRP COc1cccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1OC ZINC000904459517 1317850880 /nfs/dbraw/zinc/85/08/80/1317850880.db2.gz UCRLDAPEZIJSRP-UHFFFAOYSA-N 2 0 340.467 3.196 20 0 EGADRP CCc1ncc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904476187 1317853074 /nfs/dbraw/zinc/85/30/74/1317853074.db2.gz RYERKYQRECZWDD-CRAIPNDOSA-N 2 0 329.469 3.051 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000904657990 1317877705 /nfs/dbraw/zinc/87/77/05/1317877705.db2.gz CBFWTRQBYYUCDP-QGZVFWFLSA-N 2 0 344.503 3.265 20 0 EGADRP C[N@H+](Cc1cc(Cl)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741679 1317885713 /nfs/dbraw/zinc/88/57/13/1317885713.db2.gz RZGHHSHIWQHVGZ-HNNXBMFYSA-N 2 0 327.925 3.002 20 0 EGADRP CC[NH+]1CCC([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809754622 1317891268 /nfs/dbraw/zinc/89/12/68/1317891268.db2.gz LAUNWFGPPUBGJP-INIZCTEOSA-N 2 0 331.287 3.491 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@@]3(O)CCC[NH2+]C3)cc2)cc1F ZINC000904759103 1317895451 /nfs/dbraw/zinc/89/54/51/1317895451.db2.gz COIKPLBZLMFVJE-HXUWFJFHSA-N 2 0 328.431 3.125 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905044996 1317916684 /nfs/dbraw/zinc/91/66/84/1317916684.db2.gz HEPFWNRBYCDOQL-KDOFPFPSSA-N 2 0 326.431 3.024 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC001021046769 1318059310 /nfs/dbraw/zinc/05/93/10/1318059310.db2.gz YBAKZKNOZMKRFY-KZNAEPCWSA-N 2 0 349.906 3.124 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001021089951 1318079053 /nfs/dbraw/zinc/07/90/53/1318079053.db2.gz DODTWLYYKISGJC-CAMMJAKZSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000906586728 1318120736 /nfs/dbraw/zinc/12/07/36/1318120736.db2.gz JHCPPVYLKWLVQE-RTWAWAEBSA-N 2 0 345.506 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CC2)C1 ZINC001021358001 1318208925 /nfs/dbraw/zinc/20/89/25/1318208925.db2.gz VZTVWGDGZCEBJH-XUBOLADHSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001021380587 1318223084 /nfs/dbraw/zinc/22/30/84/1318223084.db2.gz MAKFXYAUQXWMFE-VOBGVNJCSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCC2)C1 ZINC001021438030 1318251058 /nfs/dbraw/zinc/25/10/58/1318251058.db2.gz NDZGQVZKMONXLX-UMQXSMKFSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021470320 1318269890 /nfs/dbraw/zinc/26/98/90/1318269890.db2.gz ZMDWKQSMWGQLBA-RAFMOHDBSA-N 2 0 347.547 3.163 20 0 EGADRP OCc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000858432807 1328761081 /nfs/dbraw/zinc/76/10/81/1328761081.db2.gz XLGDPZDWJUQLRS-NRFANRHFSA-N 2 0 337.467 3.066 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC000960100421 1318355409 /nfs/dbraw/zinc/35/54/09/1318355409.db2.gz BTLLBGKHMUHYIY-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC000960103269 1318358240 /nfs/dbraw/zinc/35/82/40/1318358240.db2.gz SDAVCRPFYYPCEA-IHPCNDPISA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC000960116091 1318365004 /nfs/dbraw/zinc/36/50/04/1318365004.db2.gz MBCMXUYLVPUOQN-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001021906731 1318727723 /nfs/dbraw/zinc/72/77/23/1318727723.db2.gz XARNKPGMIKZGGV-GEALJGNFSA-N 2 0 343.515 3.202 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000911682038 1318758992 /nfs/dbraw/zinc/75/89/92/1318758992.db2.gz GMTCYENOMCGAEQ-UHFFFAOYSA-N 2 0 327.428 3.237 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC000960669266 1318785156 /nfs/dbraw/zinc/78/51/56/1318785156.db2.gz VARNOGLGASYLQU-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1)[NH+](C)C ZINC000960692223 1318796298 /nfs/dbraw/zinc/79/62/98/1318796298.db2.gz XKDUEWRKROWFBM-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960707754 1318811622 /nfs/dbraw/zinc/81/16/22/1318811622.db2.gz IRLIALHOSGOPRW-VQTJNVASSA-N 2 0 345.531 3.066 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001022613031 1319015484 /nfs/dbraw/zinc/01/54/84/1319015484.db2.gz NLYSIRVMWMEKBT-SAJCDORXSA-N 2 0 347.503 3.018 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1)[NH+](C)C ZINC000960885185 1319022421 /nfs/dbraw/zinc/02/24/21/1319022421.db2.gz UDAILGNYCVIDKO-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1)[NH+](C)C ZINC000960885190 1319022801 /nfs/dbraw/zinc/02/28/01/1319022801.db2.gz UDAILGNYCVIDKO-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000815647771 1319035224 /nfs/dbraw/zinc/03/52/24/1319035224.db2.gz UMHSNGLPZLAVCU-KRWDZBQOSA-N 2 0 339.524 3.242 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)c1cccc(Cl)c1 ZINC001022711883 1319079173 /nfs/dbraw/zinc/07/91/73/1319079173.db2.gz FOXZIQOEFMWLOQ-DTDBQYNISA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022807499 1319118900 /nfs/dbraw/zinc/11/89/00/1319118900.db2.gz IODDPIUMNCEKFW-CEXWTWQISA-N 2 0 335.536 3.066 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)c1 ZINC001022886878 1319150452 /nfs/dbraw/zinc/15/04/52/1319150452.db2.gz QIDLUDDDMWIAGR-RLLQIKCJSA-N 2 0 343.515 3.025 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961030323 1319153879 /nfs/dbraw/zinc/15/38/79/1319153879.db2.gz UPGHDDMUCXPVMZ-OALUTQOASA-N 2 0 343.515 3.075 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000817894837 1319453499 /nfs/dbraw/zinc/45/34/99/1319453499.db2.gz QQYNYQITRFHYTM-VBKZILBWSA-N 2 0 343.471 3.020 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000817891478 1319454052 /nfs/dbraw/zinc/45/40/52/1319454052.db2.gz LFRLMYBIFDQJKM-RKVPGOIHSA-N 2 0 329.488 3.167 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961294083 1319456940 /nfs/dbraw/zinc/45/69/40/1319456940.db2.gz SWKQWIFTNLKVKD-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000817917099 1319460345 /nfs/dbraw/zinc/46/03/45/1319460345.db2.gz KPGGYODWZBMHCE-VNTMZGSJSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000817922246 1319461265 /nfs/dbraw/zinc/46/12/65/1319461265.db2.gz CALZAOGQCADMCG-KYNGSXCRSA-N 2 0 332.875 3.096 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000817945775 1319471652 /nfs/dbraw/zinc/47/16/52/1319471652.db2.gz LQQFNLWHKBQFIE-DLBZAZTESA-N 2 0 333.520 3.187 20 0 EGADRP COc1ccc([C@@H](C)NC[C@@H]2CCCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817949343 1319473853 /nfs/dbraw/zinc/47/38/53/1319473853.db2.gz JCPSDZPQHKZGHI-XLIONFOSSA-N 2 0 345.531 3.474 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023365057 1319476790 /nfs/dbraw/zinc/47/67/90/1319476790.db2.gz VXFWZXKGFJRPAS-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000817969886 1319481251 /nfs/dbraw/zinc/48/12/51/1319481251.db2.gz HKUSQJFMTUJCTE-IPELMVKDSA-N 3 0 333.520 3.458 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817974564 1319482362 /nfs/dbraw/zinc/48/23/62/1319482362.db2.gz DSPAFLFVGANMBV-JYJNAYRXSA-N 2 0 331.460 3.059 20 0 EGADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCOC2=O)cc1 ZINC000817979986 1319484036 /nfs/dbraw/zinc/48/40/36/1319484036.db2.gz GWWXXCBTQBASEB-NVXWUHKLSA-N 2 0 331.460 3.216 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817984900 1319486902 /nfs/dbraw/zinc/48/69/02/1319486902.db2.gz BTSRKHGINBCPNA-WBVHZDCISA-N 2 0 343.471 3.359 20 0 EGADRP O=C(NC[C@@H]1CCC[N@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001023414500 1319518756 /nfs/dbraw/zinc/51/87/56/1319518756.db2.gz UWPSSTVQBTXULO-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[NH+](C(C)C)C3)CC2)CC[N@@H+]1C ZINC000961365945 1319523147 /nfs/dbraw/zinc/52/31/47/1319523147.db2.gz GMQBFKHYTCDHPK-SLFFLAALSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961380169 1319538259 /nfs/dbraw/zinc/53/82/59/1319538259.db2.gz ZELJARJMKKCKTN-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1CCC([NH3+])CC1 ZINC000818529107 1319551844 /nfs/dbraw/zinc/55/18/44/1319551844.db2.gz FBOXLULUNOBDGS-UHFFFAOYSA-N 2 0 343.515 3.017 20 0 EGADRP C[N@H+](CCC[NH2+]C[C@@H](O)c1cccc(Cl)c1)Cc1ccccc1 ZINC000818943015 1319583087 /nfs/dbraw/zinc/58/30/87/1319583087.db2.gz OAYSNZKKMNWPTH-LJQANCHMSA-N 2 0 332.875 3.485 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1F ZINC000818953391 1319587069 /nfs/dbraw/zinc/58/70/69/1319587069.db2.gz LBEQZOXDLPEJBS-FQEVSTJZSA-N 2 0 328.431 3.245 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000818959305 1319590422 /nfs/dbraw/zinc/59/04/22/1319590422.db2.gz HWRLTKRJQDCZEW-KBXCAEBGSA-N 2 0 326.431 3.242 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000818960459 1319592053 /nfs/dbraw/zinc/59/20/53/1319592053.db2.gz ZGPYGFSNPYFDQZ-KSSFIOAISA-N 2 0 326.431 3.242 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818981765 1319603299 /nfs/dbraw/zinc/60/32/99/1319603299.db2.gz YOKJCNYMGZNQAH-CJNGLKHVSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000818985638 1319606095 /nfs/dbraw/zinc/60/60/95/1319606095.db2.gz UEVZHPZTDHUJNO-SUMWQHHRSA-N 2 0 328.859 3.223 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000818987549 1319607478 /nfs/dbraw/zinc/60/74/78/1319607478.db2.gz ZJMQARBLLOPAEI-IBGZPJMESA-N 2 0 348.487 3.422 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000819151996 1319649237 /nfs/dbraw/zinc/64/92/37/1319649237.db2.gz JTYQALCJQIRVNH-CXAGYDPISA-N 2 0 328.859 3.080 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCC3)C2)C1 ZINC001023548134 1319658390 /nfs/dbraw/zinc/65/83/90/1319658390.db2.gz BNMCBZNXSLBWLU-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000819220515 1319672888 /nfs/dbraw/zinc/67/28/88/1319672888.db2.gz PGTQNSIGTCXQPO-ZBEGNZNMSA-N 2 0 329.271 3.267 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)[NH+]1CCCCC1 ZINC000819231272 1319674624 /nfs/dbraw/zinc/67/46/24/1319674624.db2.gz SJLDSOZITHHLJY-CXAGYDPISA-N 2 0 328.859 3.367 20 0 EGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000819356467 1319707644 /nfs/dbraw/zinc/70/76/44/1319707644.db2.gz YQHLZEUYMCBXEV-QGZVFWFLSA-N 2 0 342.405 3.345 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001023678130 1319792094 /nfs/dbraw/zinc/79/20/94/1319792094.db2.gz QCDGWTVXPOWQJT-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC000962083204 1319821402 /nfs/dbraw/zinc/82/14/02/1319821402.db2.gz JDODXFAWONPFCT-LYGPFTKASA-N 2 0 348.450 3.194 20 0 EGADRP Cc1[nH+]cc2n1C[C@@H](c1nc(-c3ccc(C[NH+](C)C)cc3)no1)CC2 ZINC000823709243 1320199251 /nfs/dbraw/zinc/19/92/51/1320199251.db2.gz QLKWSDSGEMNAQY-INIZCTEOSA-N 2 0 337.427 3.033 20 0 EGADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc(Cl)n1 ZINC000827012220 1320421004 /nfs/dbraw/zinc/42/10/04/1320421004.db2.gz SQZAMZNTEAQEIB-UHFFFAOYSA-N 2 0 344.890 3.440 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OC(=O)CC ZINC000841027428 1321203530 /nfs/dbraw/zinc/20/35/30/1321203530.db2.gz AZGRLIFOEYQRFA-CVEARBPZSA-N 2 0 334.460 3.008 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(SC)cc1OC ZINC000841032033 1321204440 /nfs/dbraw/zinc/20/44/40/1321204440.db2.gz HHOLWPTWCKHYGU-UHFFFAOYSA-N 2 0 346.496 3.217 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032837 1321204471 /nfs/dbraw/zinc/20/44/71/1321204471.db2.gz ZYFSXXJFSOMARE-AWEZNQCLSA-N 2 0 345.874 3.348 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000841068553 1321213049 /nfs/dbraw/zinc/21/30/49/1321213049.db2.gz QOKDSHPIWDUNGM-UHFFFAOYSA-N 2 0 348.434 3.404 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NCCCCCCC[NH+]2CCCC2)c1 ZINC000841304075 1321251445 /nfs/dbraw/zinc/25/14/45/1321251445.db2.gz HRPMOXRHRCIYDU-UHFFFAOYSA-N 2 0 332.492 3.313 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000842472080 1321392562 /nfs/dbraw/zinc/39/25/62/1321392562.db2.gz PXROHXLDJJLJSX-UHFFFAOYSA-N 2 0 335.467 3.385 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000842476476 1321393900 /nfs/dbraw/zinc/39/39/00/1321393900.db2.gz PKXJXPJKHGTZPR-UHFFFAOYSA-N 2 0 332.517 3.328 20 0 EGADRP [NH3+][C@H](Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CC1 ZINC000842570156 1321401777 /nfs/dbraw/zinc/40/17/77/1321401777.db2.gz DQCAEZALVSWTCQ-QGZVFWFLSA-N 2 0 326.444 3.002 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC1 ZINC000843049965 1321461128 /nfs/dbraw/zinc/46/11/28/1321461128.db2.gz WUZUCZGHBPWZAD-UHFFFAOYSA-N 2 0 332.879 3.266 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(CC4([NH3+])CCC4)n3)cc2)CC1 ZINC000843200082 1321486689 /nfs/dbraw/zinc/48/66/89/1321486689.db2.gz JJYBNKWIPNDOMY-UHFFFAOYSA-N 2 0 340.471 3.392 20 0 EGADRP COc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1SC(F)(F)F ZINC000843362891 1321507009 /nfs/dbraw/zinc/50/70/09/1321507009.db2.gz UIBOTWRBGIHHAK-CMPLNLGQSA-N 2 0 334.407 3.476 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000844222135 1321579696 /nfs/dbraw/zinc/57/96/96/1321579696.db2.gz WKXSDEDOIQBPGO-UHFFFAOYSA-N 2 0 326.488 3.266 20 0 EGADRP CCN(c1ccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1)C(C)C ZINC000844220869 1321579910 /nfs/dbraw/zinc/57/99/10/1321579910.db2.gz NIFWMXZPWWBTLG-UHFFFAOYSA-N 2 0 346.519 3.062 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000962517766 1321983015 /nfs/dbraw/zinc/98/30/15/1321983015.db2.gz GKTCHDMHPSDXQV-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000848888758 1322030543 /nfs/dbraw/zinc/03/05/43/1322030543.db2.gz BJPCEGQEWGFNBU-GHTZIAJQSA-N 2 0 329.532 3.268 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000848894589 1322034391 /nfs/dbraw/zinc/03/43/91/1322034391.db2.gz NMGXZFRIKMISEA-CWNHSUMWSA-N 2 0 348.487 3.314 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NCCc2ccccc2)cc1 ZINC000849055892 1322061229 /nfs/dbraw/zinc/06/12/29/1322061229.db2.gz KOLVZXYDKHVKGT-UHFFFAOYSA-N 2 0 338.499 3.385 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CCC1 ZINC000849072422 1322066220 /nfs/dbraw/zinc/06/62/20/1322066220.db2.gz FTOAKZZKBJFUGJ-KRWDZBQOSA-N 2 0 348.922 3.360 20 0 EGADRP CCc1ccc(NC(=[NH2+])NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000849075728 1322068125 /nfs/dbraw/zinc/06/81/25/1322068125.db2.gz QFQULEJWFNIIMX-UHFFFAOYSA-N 2 0 337.471 3.497 20 0 EGADRP C[C@@]1(CNC(=[NH2+])N2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000849076348 1322068307 /nfs/dbraw/zinc/06/83/07/1322068307.db2.gz YSSIWGHDOPVEHF-FQEVSTJZSA-N 2 0 328.504 3.299 20 0 EGADRP CC(C)[N@H+](C)CCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083602 1322071861 /nfs/dbraw/zinc/07/18/61/1322071861.db2.gz AJCCYGACDZJQHU-UHFFFAOYSA-N 2 0 332.370 3.252 20 0 EGADRP [NH2+]=C(NCCCC(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849099858 1322078395 /nfs/dbraw/zinc/07/83/95/1322078395.db2.gz DKOVNCDJGKXHJE-UHFFFAOYSA-N 2 0 342.409 3.107 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000922505085 1322544525 /nfs/dbraw/zinc/54/45/25/1322544525.db2.gz QINRJVDKPQSMRL-UHFFFAOYSA-N 2 0 326.435 3.035 20 0 EGADRP Cc1nn2c(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)c(C)nc2s1 ZINC000922505014 1322544582 /nfs/dbraw/zinc/54/45/82/1322544582.db2.gz POHXIEJUJWOZFQ-UHFFFAOYSA-N 2 0 347.532 3.294 20 0 EGADRP FC(F)(F)CN1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922709764 1322599058 /nfs/dbraw/zinc/59/90/58/1322599058.db2.gz OBODYEYSPXFQSM-QGZVFWFLSA-N 2 0 347.469 3.400 20 0 EGADRP Cn1c(Cl)nc(Cl)c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922847454 1322631775 /nfs/dbraw/zinc/63/17/75/1322631775.db2.gz QJGVTTCOTDQUDZ-UHFFFAOYSA-N 2 0 331.291 3.224 20 0 EGADRP O=C(Nc1ccccc1)C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923301941 1322729055 /nfs/dbraw/zinc/72/90/55/1322729055.db2.gz LNPGYVIERKRSBU-XGSMCBPESA-N 2 0 341.499 3.258 20 0 EGADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923326906 1322735117 /nfs/dbraw/zinc/73/51/17/1322735117.db2.gz OYUSNAWGIKQRDO-HRVKUGKESA-N 2 0 328.504 3.045 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000923491711 1322761514 /nfs/dbraw/zinc/76/15/14/1322761514.db2.gz MEFPILXYAZOUNZ-UWJYYQICSA-N 2 0 343.515 3.095 20 0 EGADRP O[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000923508400 1322765692 /nfs/dbraw/zinc/76/56/92/1322765692.db2.gz VBKZZIMUDOBGTG-LIRRHRJNSA-N 2 0 338.442 3.100 20 0 EGADRP COc1ccccc1OCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924557350 1323055598 /nfs/dbraw/zinc/05/55/98/1323055598.db2.gz SYDWFCQJRBNQJZ-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnc2)c1 ZINC000924574689 1323058885 /nfs/dbraw/zinc/05/88/85/1323058885.db2.gz WUKGXPHEYXYANP-IRXDYDNUSA-N 2 0 327.476 3.182 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cnnc2)c1 ZINC000924574688 1323059652 /nfs/dbraw/zinc/05/96/52/1323059652.db2.gz WUKGXPHEYXYANP-IAGOWNOFSA-N 2 0 327.476 3.182 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851813386 1323097188 /nfs/dbraw/zinc/09/71/88/1323097188.db2.gz UXOXRZVUYXKBBF-PXNSSMCTSA-N 2 0 331.504 3.092 20 0 EGADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924663871 1323101532 /nfs/dbraw/zinc/10/15/32/1323101532.db2.gz XJWIMTBVRAFJOW-KRWDZBQOSA-N 2 0 338.927 3.193 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000924667198 1323102826 /nfs/dbraw/zinc/10/28/26/1323102826.db2.gz HYALRNLVXROCSI-MBOZVWFJSA-N 2 0 343.515 3.065 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2c(C)oc3ccccc32)CC1 ZINC000924673095 1323105579 /nfs/dbraw/zinc/10/55/79/1323105579.db2.gz VFVDERFOHCROPH-JKSUJKDBSA-N 2 0 329.488 3.418 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024157319 1323180099 /nfs/dbraw/zinc/18/00/99/1323180099.db2.gz ZBNHLBZCHVVUIN-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924866384 1323193409 /nfs/dbraw/zinc/19/34/09/1323193409.db2.gz BJLKZJWWKKWOFL-CQSZACIVSA-N 2 0 325.447 3.128 20 0 EGADRP Cc1nccn1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924871229 1323194836 /nfs/dbraw/zinc/19/48/36/1323194836.db2.gz DLYSKDMMCNQGEJ-SEJPIABJSA-N 3 0 338.499 3.367 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000924894182 1323203757 /nfs/dbraw/zinc/20/37/57/1323203757.db2.gz AKRKTCRUQNACHA-UHFFFAOYSA-N 2 0 335.458 3.113 20 0 EGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708494 1323229069 /nfs/dbraw/zinc/22/90/69/1323229069.db2.gz CCSUYHFIFRCCMU-SUMWQHHRSA-N 2 0 342.405 3.297 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1coc2ccccc12 ZINC000924959874 1323229376 /nfs/dbraw/zinc/22/93/76/1323229376.db2.gz PZPIFSLGYBZVRU-INIZCTEOSA-N 2 0 329.488 3.357 20 0 EGADRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ncccc1Cl ZINC000924967469 1323232353 /nfs/dbraw/zinc/23/23/53/1323232353.db2.gz WSUKDLQELZQONG-KRWDZBQOSA-N 2 0 338.927 3.193 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]C3CC4(C3)CCCC4)cc2)CC1 ZINC000924972182 1323234176 /nfs/dbraw/zinc/23/41/76/1323234176.db2.gz WWZZLCXKWFPJMN-UHFFFAOYSA-N 2 0 328.500 3.456 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278522 1323256451 /nfs/dbraw/zinc/25/64/51/1323256451.db2.gz PVIPBHMRSUAQAS-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)CC1 ZINC000853062361 1323271941 /nfs/dbraw/zinc/27/19/41/1323271941.db2.gz MNKJPFAXABDDKT-NRFANRHFSA-N 2 0 339.483 3.137 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC000853062134 1323272218 /nfs/dbraw/zinc/27/22/18/1323272218.db2.gz JLNOYZFOYDUFGI-UWJYYQICSA-N 2 0 339.483 3.279 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024437640 1323397080 /nfs/dbraw/zinc/39/70/80/1323397080.db2.gz UKFJWWYOMWKSRX-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024468640 1323423757 /nfs/dbraw/zinc/42/37/57/1323423757.db2.gz LYQGYGPGNCIWJI-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC(C)C)C1 ZINC001024614048 1323542898 /nfs/dbraw/zinc/54/28/98/1323542898.db2.gz FOVCXCLDZKZEOI-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CC2)o1 ZINC001024820405 1323726241 /nfs/dbraw/zinc/72/62/41/1323726241.db2.gz YWAZVLOPZASBJB-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001024992216 1323816050 /nfs/dbraw/zinc/81/60/50/1323816050.db2.gz PFZVCQNCHWAUCV-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000931433836 1329116663 /nfs/dbraw/zinc/11/66/63/1329116663.db2.gz INPSKRQXILZLTO-UXHICEINSA-N 2 0 349.478 3.176 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001025067467 1323866632 /nfs/dbraw/zinc/86/66/32/1323866632.db2.gz SEPOHYKRIKOEFN-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001025246407 1324045992 /nfs/dbraw/zinc/04/59/92/1324045992.db2.gz WUVQMSDVPGZJCW-RBUKOAKNSA-N 2 0 340.471 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431605 1324268559 /nfs/dbraw/zinc/26/85/59/1324268559.db2.gz BKXUOMHSVUWKOZ-LSDHHAIUSA-N 2 0 337.533 3.048 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461290 1324306327 /nfs/dbraw/zinc/30/63/27/1324306327.db2.gz RWCJXJVEUXOWIN-RDJZCZTQSA-N 2 0 342.487 3.273 20 0 EGADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001025470622 1324316868 /nfs/dbraw/zinc/31/68/68/1324316868.db2.gz ZCNNVNZIYFIOSB-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001026493943 1324846626 /nfs/dbraw/zinc/84/66/26/1324846626.db2.gz STDBXRKPNQDEQJ-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001026506777 1324855695 /nfs/dbraw/zinc/85/56/95/1324855695.db2.gz FURFKGONQRUNBE-TVPLGVNVSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026516371 1324862751 /nfs/dbraw/zinc/86/27/51/1324862751.db2.gz ZRDCGVXQQPVVND-MHJFOBGBSA-N 2 0 347.547 3.378 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)CC1 ZINC001026572120 1324904834 /nfs/dbraw/zinc/90/48/34/1324904834.db2.gz AKQSCRQHCGCTNZ-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000925136284 1325060165 /nfs/dbraw/zinc/06/01/65/1325060165.db2.gz NPPYYFBMQMKHRK-UHFFFAOYSA-N 2 0 345.531 3.031 20 0 EGADRP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242016 1325070644 /nfs/dbraw/zinc/07/06/44/1325070644.db2.gz ZADQMXDKOZPNMT-WCXIOVBPSA-N 2 0 326.575 3.078 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925213681 1325081617 /nfs/dbraw/zinc/08/16/17/1325081617.db2.gz BJVOOHWTBKGBMN-HNNXBMFYSA-N 2 0 329.488 3.418 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364412 1325166068 /nfs/dbraw/zinc/16/60/68/1325166068.db2.gz CCWQAOAGRDEGRZ-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383128 1325184411 /nfs/dbraw/zinc/18/44/11/1325184411.db2.gz MFEUQXLFLAAMLO-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925555005 1325205657 /nfs/dbraw/zinc/20/56/57/1325205657.db2.gz CPJMIYAATRRFAD-CRAIPNDOSA-N 2 0 333.907 3.349 20 0 EGADRP [NH3+]C[C@H]1CCCc2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc21 ZINC000854155302 1325221673 /nfs/dbraw/zinc/22/16/73/1325221673.db2.gz TYKJJERPRUFHMK-MRXNPFEDSA-N 2 0 345.406 3.430 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963418169 1325225712 /nfs/dbraw/zinc/22/57/12/1325225712.db2.gz RBSDEVXDKGTROY-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963418166 1325225926 /nfs/dbraw/zinc/22/59/26/1325225926.db2.gz RBSDEVXDKGTROY-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000925608172 1325230315 /nfs/dbraw/zinc/23/03/15/1325230315.db2.gz ZYRUHXGWNFEOTE-FUUYNRHESA-N 2 0 337.467 3.266 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc[nH+]1 ZINC000925613821 1325231093 /nfs/dbraw/zinc/23/10/93/1325231093.db2.gz FCWWCRRLQDHGET-SFTDATJTSA-N 2 0 342.531 3.056 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)C12CCC2 ZINC000925642556 1325244989 /nfs/dbraw/zinc/24/49/89/1325244989.db2.gz HPVNWKRZAMUTOJ-APHBMKBZSA-N 2 0 339.405 3.144 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C12CCC2 ZINC000925668100 1325256341 /nfs/dbraw/zinc/25/63/41/1325256341.db2.gz GSKYIEBNSHXVOJ-HUUCEWRRSA-N 2 0 348.288 3.332 20 0 EGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925673037 1325256739 /nfs/dbraw/zinc/25/67/39/1325256739.db2.gz LTOKCRZXQCJFDC-LNLFQRSKSA-N 2 0 331.479 3.162 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925671096 1325257697 /nfs/dbraw/zinc/25/76/97/1325257697.db2.gz QMCSWXVROFZIFV-MGPUTAFESA-N 2 0 330.447 3.142 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(c3ccc(Cl)cc3F)C1)[NH2+]2 ZINC000925719002 1325269370 /nfs/dbraw/zinc/26/93/70/1325269370.db2.gz PFQLLKSNOROLHD-DTWJZALFSA-N 2 0 337.870 3.176 20 0 EGADRP C[C@@H](CCc1ccc(F)cc1F)N1CCc2sc(C[NH3+])nc2C1 ZINC000925750129 1325283056 /nfs/dbraw/zinc/28/30/56/1325283056.db2.gz CNUNWLOEJRSAFQ-NSHDSACASA-N 2 0 337.439 3.259 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001027234856 1325329302 /nfs/dbraw/zinc/32/93/02/1325329302.db2.gz GOWIVAVVCSREPP-SOAGJPPSSA-N 2 0 349.563 3.127 20 0 EGADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c3ccccc3)C1)C2 ZINC000925880962 1325340622 /nfs/dbraw/zinc/34/06/22/1325340622.db2.gz DEELPRBNJHJROV-CNNODRBYSA-N 2 0 336.479 3.201 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963787132 1325399768 /nfs/dbraw/zinc/39/97/68/1325399768.db2.gz FOVXNGVTZSFNCP-MBEFBZSESA-N 2 0 347.547 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963786678 1325400607 /nfs/dbraw/zinc/40/06/07/1325400607.db2.gz FOVXNGVTZSFNCP-FCOWATRHSA-N 2 0 347.547 3.066 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000963902255 1325428020 /nfs/dbraw/zinc/42/80/20/1325428020.db2.gz IKKJRKUUICQYIP-UHFFFAOYSA-N 2 0 345.531 3.172 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000963907685 1325431642 /nfs/dbraw/zinc/43/16/42/1325431642.db2.gz HZABVMUZYSRZJS-KKXNLOMOSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963927451 1325445680 /nfs/dbraw/zinc/44/56/80/1325445680.db2.gz VGBNHBLUCOOEQQ-FCOWATRHSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(C[NH+](C)C)c1 ZINC000926659828 1327656422 /nfs/dbraw/zinc/65/64/22/1327656422.db2.gz IAPYYTGDFJBXTK-HNAYVOBHSA-N 2 0 339.483 3.175 20 0 EGADRP Cc1noc(C)c1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926692694 1327669654 /nfs/dbraw/zinc/66/96/54/1327669654.db2.gz IVOHJHKCOFSKOY-CQSZACIVSA-N 2 0 328.460 3.249 20 0 EGADRP Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027453026 1327693470 /nfs/dbraw/zinc/69/34/70/1327693470.db2.gz XVVMBMJCOJUHDO-UXHICEINSA-N 2 0 345.531 3.004 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001027461856 1327709695 /nfs/dbraw/zinc/70/96/95/1327709695.db2.gz QOPITVZLDGGTAP-WOJBJXKFSA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027470391 1327724568 /nfs/dbraw/zinc/72/45/68/1327724568.db2.gz PEROYONBQKVSMN-SFHVURJKSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCC3CCCCC3)C2)C1 ZINC001027576365 1327913702 /nfs/dbraw/zinc/91/37/02/1327913702.db2.gz NNTXHMZUGWPTTL-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027602145 1327954605 /nfs/dbraw/zinc/95/46/05/1327954605.db2.gz MDBWADLJTMJCOL-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001027924071 1328403083 /nfs/dbraw/zinc/40/30/83/1328403083.db2.gz CUNLZBRPTFYMHS-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001027971680 1328444881 /nfs/dbraw/zinc/44/48/81/1328444881.db2.gz JUUKBUMYYXXHHW-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027986566 1328457327 /nfs/dbraw/zinc/45/73/27/1328457327.db2.gz YNQHLQQNCZQKJC-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000863542106 1329562052 /nfs/dbraw/zinc/56/20/52/1329562052.db2.gz FQZIUBMFZNAIGU-SLFFLAALSA-N 2 0 329.488 3.070 20 0 EGADRP CN(C)c1ccc(F)cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000865518539 1329708378 /nfs/dbraw/zinc/70/83/78/1329708378.db2.gz QKNBJWIDKZJWFW-UHFFFAOYSA-N 2 0 342.462 3.293 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000865715348 1329732000 /nfs/dbraw/zinc/73/20/00/1329732000.db2.gz PSJAQSWMWHTYMQ-UHFFFAOYSA-N 2 0 326.488 3.472 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000933268250 1329876543 /nfs/dbraw/zinc/87/65/43/1329876543.db2.gz ULOXGYFORGZMJS-SFHVURJKSA-N 2 0 342.487 3.014 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CC[NH2+]C(C)(C)C ZINC000934740300 1330004388 /nfs/dbraw/zinc/00/43/88/1330004388.db2.gz POJPEDQYHGFZIO-IAGOWNOFSA-N 2 0 345.531 3.037 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000935662551 1330069068 /nfs/dbraw/zinc/06/90/68/1330069068.db2.gz HBABGZRFJFJUBN-QGZVFWFLSA-N 2 0 345.487 3.012 20 0 EGADRP Fc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866269019 1330088302 /nfs/dbraw/zinc/08/83/02/1330088302.db2.gz DKOJIFXTKAXRLQ-YWZLYKJASA-N 2 0 332.463 3.294 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cc1C[NH+]1CCCCC1 ZINC000866415883 1330108996 /nfs/dbraw/zinc/10/89/96/1330108996.db2.gz HHLDXHFUEUCHKN-MDZRGWNJSA-N 2 0 332.488 3.103 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866637175 1330136713 /nfs/dbraw/zinc/13/67/13/1330136713.db2.gz STHXLXNKZCIOLJ-UZLBHIALSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866638311 1330136738 /nfs/dbraw/zinc/13/67/38/1330136738.db2.gz PBHMWYKHWRSVSG-DZFGPLHGSA-N 2 0 330.516 3.428 20 0 EGADRP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC1(C)C ZINC000941187170 1331376803 /nfs/dbraw/zinc/37/68/03/1331376803.db2.gz WHFFBGFELOSADI-GOSISDBHSA-N 2 0 346.519 3.058 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942303035 1331898643 /nfs/dbraw/zinc/89/86/43/1331898643.db2.gz JYOKLIZEGVZFIK-HNAYVOBHSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597019 1331995791 /nfs/dbraw/zinc/99/57/91/1331995791.db2.gz HXSAMRBSQNAGGT-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596788 1331995938 /nfs/dbraw/zinc/99/59/38/1331995938.db2.gz GFDYNXIEXYFIHA-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943516775 1332191959 /nfs/dbraw/zinc/19/19/59/1332191959.db2.gz MTGNDOPRVDESJQ-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946709969 1332882030 /nfs/dbraw/zinc/88/20/30/1332882030.db2.gz DJVIDBJCUXZKKL-GBESFXJTSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946904919 1332929915 /nfs/dbraw/zinc/92/99/15/1332929915.db2.gz TUFNHWFPAHIUBM-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947474563 1333142407 /nfs/dbraw/zinc/14/24/07/1333142407.db2.gz VWOAYEUZLKWJTN-RDJZCZTQSA-N 2 0 342.487 3.272 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC(C)(C)C ZINC000947494350 1333146551 /nfs/dbraw/zinc/14/65/51/1333146551.db2.gz XYNVJHCDRCIBOW-SJORKVTESA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCC(C)(C)C ZINC000947505392 1333149082 /nfs/dbraw/zinc/14/90/82/1333149082.db2.gz ARMSLUIBOBOJKS-DOTOQJQBSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947726531 1333241915 /nfs/dbraw/zinc/24/19/15/1333241915.db2.gz PSRCTECVUDUKBJ-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947882765 1333290522 /nfs/dbraw/zinc/29/05/22/1333290522.db2.gz WRRBWNSFSWNEEO-HKUYNNGSSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCCC1 ZINC000948040125 1333349872 /nfs/dbraw/zinc/34/98/72/1333349872.db2.gz MXDRLSWMIYGQIW-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948368496 1333497322 /nfs/dbraw/zinc/49/73/22/1333497322.db2.gz NEBIFUIKJOXVRP-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948374965 1333500877 /nfs/dbraw/zinc/50/08/77/1333500877.db2.gz ZQLLWXNAJNZQEZ-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000948385113 1333503934 /nfs/dbraw/zinc/50/39/34/1333503934.db2.gz JFTHFRBEFGUDHW-FGTMMUONSA-N 2 0 337.552 3.076 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948583171 1333584792 /nfs/dbraw/zinc/58/47/92/1333584792.db2.gz KDOUMAAWKXAPHR-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000948767707 1333670609 /nfs/dbraw/zinc/67/06/09/1333670609.db2.gz ZOVJJMXNDGLJCW-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948829687 1333701892 /nfs/dbraw/zinc/70/18/92/1333701892.db2.gz STFCJYRMNICPJE-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948852369 1333710240 /nfs/dbraw/zinc/71/02/40/1333710240.db2.gz MDPCDOPGHLLQPO-LJQANCHMSA-N 2 0 331.504 3.083 20 0 EGADRP C[C@H]1CC[N@H+](CCC2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378673 1335910265 /nfs/dbraw/zinc/91/02/65/1335910265.db2.gz RMASRTQULDKLAY-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968782708 1336048732 /nfs/dbraw/zinc/04/87/32/1336048732.db2.gz YQQCCUHOQDTRRJ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968849633 1336067953 /nfs/dbraw/zinc/06/79/53/1336067953.db2.gz BYCZRNRIOUYDOL-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2=CCCCC2)CC[N@@H+]1C ZINC000968866390 1336072175 /nfs/dbraw/zinc/07/21/75/1336072175.db2.gz HFHFJAQCBRXAHO-YZGWKJHDSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926219 1336092162 /nfs/dbraw/zinc/09/21/62/1336092162.db2.gz XMKVPUYDEHIVPM-INIZCTEOSA-N 2 0 328.460 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968991355 1336112611 /nfs/dbraw/zinc/11/26/11/1336112611.db2.gz YIOXPBIQNYNACL-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000969066052 1336136998 /nfs/dbraw/zinc/13/69/98/1336136998.db2.gz GTYSJKTUWHYRTC-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CCCCC2)C1 ZINC000969144423 1336161151 /nfs/dbraw/zinc/16/11/51/1336161151.db2.gz LNECUOQULVGBNT-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC000969563285 1336224077 /nfs/dbraw/zinc/22/40/77/1336224077.db2.gz BGEQXCFPOXKDOM-IEBWSBKVSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC000970382331 1336301344 /nfs/dbraw/zinc/30/13/44/1336301344.db2.gz ABNLJXCPHKQQBU-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CC[N@H+](CCc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC001205603546 1370807422 /nfs/dbraw/zinc/80/74/22/1370807422.db2.gz QAYUEHFXLQLELU-HIFRSBDPSA-N 2 0 325.294 3.298 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001006120379 1336454800 /nfs/dbraw/zinc/45/48/00/1336454800.db2.gz QNHFUMZDFWRLTQ-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006442592 1336506948 /nfs/dbraw/zinc/50/69/48/1336506948.db2.gz JLEVQNZTCGTCQP-IAGOWNOFSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006444014 1336506955 /nfs/dbraw/zinc/50/69/55/1336506955.db2.gz PDGMULVUMMURKM-ROUUACIJSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001006444514 1336507586 /nfs/dbraw/zinc/50/75/86/1336507586.db2.gz UVQGWMZAUVINTI-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCCC2CCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007797559 1336702462 /nfs/dbraw/zinc/70/24/62/1336702462.db2.gz BKUSSINGIWKPLX-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001008299097 1336817733 /nfs/dbraw/zinc/81/77/33/1336817733.db2.gz MGJQEBBKFXQYMM-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001008530308 1336876427 /nfs/dbraw/zinc/87/64/27/1336876427.db2.gz IXGVDAOIKWTWQT-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001008549974 1336879392 /nfs/dbraw/zinc/87/93/92/1336879392.db2.gz IEWUZJOOJVUOHC-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749978 1336920025 /nfs/dbraw/zinc/92/00/25/1336920025.db2.gz SXCXMFSWCOQLDL-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001008757632 1336921303 /nfs/dbraw/zinc/92/13/03/1336921303.db2.gz YVYFVLZTCLKINO-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001009052869 1336961054 /nfs/dbraw/zinc/96/10/54/1336961054.db2.gz VGEKQYRCQHKXHL-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731186 1337889868 /nfs/dbraw/zinc/88/98/68/1337889868.db2.gz ZWMVJGIWIUJBME-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001015596261 1338199693 /nfs/dbraw/zinc/19/96/93/1338199693.db2.gz AEFCILHQKURZIY-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001015710987 1338270963 /nfs/dbraw/zinc/27/09/63/1338270963.db2.gz WTUVPYRNPXHAFL-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001015973931 1338386580 /nfs/dbraw/zinc/38/65/80/1338386580.db2.gz VAWIOQZGHAETSZ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015974110 1338387197 /nfs/dbraw/zinc/38/71/97/1338387197.db2.gz YYSQATKUWDUOPW-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001016331108 1338553402 /nfs/dbraw/zinc/55/34/02/1338553402.db2.gz WUKSKAQNHXCTLJ-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384263 1338583882 /nfs/dbraw/zinc/58/38/82/1338583882.db2.gz NVZHSJQZFNLBHA-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016703343 1338696469 /nfs/dbraw/zinc/69/64/69/1338696469.db2.gz XFAYMUXFFIPWIO-RTBURBONSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016705982 1338697130 /nfs/dbraw/zinc/69/71/30/1338697130.db2.gz CBJKOXNMWIQNCW-KRWDZBQOSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016793351 1338729083 /nfs/dbraw/zinc/72/90/83/1338729083.db2.gz KKGROIXBIXUXMJ-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001017129245 1338885157 /nfs/dbraw/zinc/88/51/57/1338885157.db2.gz YLFCCIGWWAFKPH-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176736 1339522579 /nfs/dbraw/zinc/52/25/79/1339522579.db2.gz OQOOWLZFNKGGBT-WTGUMLROSA-N 2 0 349.563 3.218 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCC1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093874 1340422533 /nfs/dbraw/zinc/42/25/33/1340422533.db2.gz PUHKYGNDGCHSDA-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137309 1340449847 /nfs/dbraw/zinc/44/98/47/1340449847.db2.gz ISADMYKYJYWUJJ-PXNSSMCTSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001028181015 1340470875 /nfs/dbraw/zinc/47/08/75/1340470875.db2.gz LVUQHUTWTIVAMX-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001028251653 1340512657 /nfs/dbraw/zinc/51/26/57/1340512657.db2.gz IUXOFOICUTZGQP-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594093 1340719162 /nfs/dbraw/zinc/71/91/62/1340719162.db2.gz AQZGBEHFZVBXLP-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028644524 1340740219 /nfs/dbraw/zinc/74/02/19/1340740219.db2.gz BBRLTNUGJVNPJB-KRWDZBQOSA-N 2 0 342.487 3.131 20 0 EGADRP O=C(NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028659083 1340745544 /nfs/dbraw/zinc/74/55/44/1340745544.db2.gz NVTYZNBGKFTMET-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001029111354 1340932328 /nfs/dbraw/zinc/93/23/28/1340932328.db2.gz GTBIZTHTFWJTHX-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029306219 1340969686 /nfs/dbraw/zinc/96/96/86/1340969686.db2.gz MQVHKNJMIYGNQX-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1C)[NH+](C)C ZINC001029478227 1340998429 /nfs/dbraw/zinc/99/84/29/1340998429.db2.gz GDASYSCWFTZTKA-XSYGEPLQSA-N 2 0 343.515 3.071 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029596273 1341018602 /nfs/dbraw/zinc/01/86/02/1341018602.db2.gz HOIMKHOHVBZNHW-ZCNNSNEGSA-N 2 0 345.531 3.036 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029750413 1341063515 /nfs/dbraw/zinc/06/35/15/1341063515.db2.gz GXBBHCSJHOXTLW-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC001029755645 1341064339 /nfs/dbraw/zinc/06/43/39/1341064339.db2.gz RAEIHUXIJONMTK-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029910345 1341113678 /nfs/dbraw/zinc/11/36/78/1341113678.db2.gz HKNMURFBQIDOHG-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2C)CC1)[NH+](C)C ZINC001029996847 1341151403 /nfs/dbraw/zinc/15/14/03/1341151403.db2.gz PGXGKXYPHOCPTE-FQEVSTJZSA-N 2 0 345.531 3.006 20 0 EGADRP C[N@H+](CC1CCN(C(=O)C[NH+]2CCCC2)CC1)CC1CCCCCC1 ZINC001030013387 1341158031 /nfs/dbraw/zinc/15/80/31/1341158031.db2.gz GRMFOUVBAJOZBT-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031666527 1341385548 /nfs/dbraw/zinc/38/55/48/1341385548.db2.gz PGWBFUKJEADITC-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031806759 1341404106 /nfs/dbraw/zinc/40/41/06/1341404106.db2.gz NXMWSCJBEBJXFF-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)(C)C ZINC001032727157 1341593439 /nfs/dbraw/zinc/59/34/39/1341593439.db2.gz ZLVFIHSYGJXOSH-FHWLQOOXSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032828610 1341628951 /nfs/dbraw/zinc/62/89/51/1341628951.db2.gz XUWBLSLQWMRYTQ-FFZOFVMBSA-N 2 0 343.515 3.156 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001033099948 1341722022 /nfs/dbraw/zinc/72/20/22/1341722022.db2.gz TWPRXNNVQCWBIB-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033350365 1341791611 /nfs/dbraw/zinc/79/16/11/1341791611.db2.gz AGOPPUQMPHIRJR-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033878509 1342055253 /nfs/dbraw/zinc/05/52/53/1342055253.db2.gz LAEJMOPLBMBUGB-GOSISDBHSA-N 2 0 342.487 3.225 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033897898 1342069484 /nfs/dbraw/zinc/06/94/84/1342069484.db2.gz NIHBJSGDPZHGKN-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034211771 1342321352 /nfs/dbraw/zinc/32/13/52/1342321352.db2.gz OFVIQVYAOLKMFW-SFHVURJKSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034241286 1342341173 /nfs/dbraw/zinc/34/11/73/1342341173.db2.gz XGOMOSOPWFGXQK-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285184 1342373459 /nfs/dbraw/zinc/37/34/59/1342373459.db2.gz QXKJPNQOLQDXQD-NVXWUHKLSA-N 2 0 342.487 3.273 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001034290000 1342376017 /nfs/dbraw/zinc/37/60/17/1342376017.db2.gz CXOLNBSHWCSDCX-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034290819 1342376612 /nfs/dbraw/zinc/37/66/12/1342376612.db2.gz LSXCXWIFFMOSTQ-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034367717 1342437415 /nfs/dbraw/zinc/43/74/15/1342437415.db2.gz HIEXWOOFNMSTDB-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001034606845 1342645191 /nfs/dbraw/zinc/64/51/91/1342645191.db2.gz GDIAGGWHNGRWGQ-VBSBHUPXSA-N 2 0 343.515 3.167 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034663353 1342678272 /nfs/dbraw/zinc/67/82/72/1342678272.db2.gz UNVNETLHOLFWJJ-PWKSQPCKSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034934903 1342843220 /nfs/dbraw/zinc/84/32/20/1342843220.db2.gz YFUKPEKTMGAJNG-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034953702 1342852065 /nfs/dbraw/zinc/85/20/65/1342852065.db2.gz GZPKFZVMEZGZEF-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001035039792 1342892817 /nfs/dbraw/zinc/89/28/17/1342892817.db2.gz LQJNDXLIBQIKHQ-NLWGTHIKSA-N 2 0 345.531 3.223 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001035052039 1342899322 /nfs/dbraw/zinc/89/93/22/1342899322.db2.gz CUIPGBRVLHMAPO-GGPKGHCWSA-N 2 0 345.531 3.285 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035132781 1342948751 /nfs/dbraw/zinc/94/87/51/1342948751.db2.gz DMCHWQAIECNUEZ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035185083 1343000160 /nfs/dbraw/zinc/00/01/60/1343000160.db2.gz RWIKIOMQBWKVLN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035190117 1343003811 /nfs/dbraw/zinc/00/38/11/1343003811.db2.gz QUHQWHCFBLBKBB-UHFFFAOYSA-N 2 0 349.544 3.146 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196046 1343009832 /nfs/dbraw/zinc/00/98/32/1343009832.db2.gz QCHZJXURSUWNOX-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035195962 1343010100 /nfs/dbraw/zinc/01/01/00/1343010100.db2.gz MADFVANASXOIBL-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035256554 1343082891 /nfs/dbraw/zinc/08/28/91/1343082891.db2.gz ISOABRLQBGKMLX-OALUTQOASA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035725586 1343154209 /nfs/dbraw/zinc/15/42/09/1343154209.db2.gz ZLNMASJGTYFHQM-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+]([C@H](C)c3ccccc3)C2)CC1)[NH+](C)C ZINC001035731439 1343157494 /nfs/dbraw/zinc/15/74/94/1343157494.db2.gz FKQXWMPDXRBZSH-IEBWSBKVSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035742032 1343163410 /nfs/dbraw/zinc/16/34/10/1343163410.db2.gz TXWFHFMJBMSVQX-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036183874 1343350937 /nfs/dbraw/zinc/35/09/37/1343350937.db2.gz VEPSIEDJPLLOQI-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001036297220 1343402798 /nfs/dbraw/zinc/40/27/98/1343402798.db2.gz KMPAAJQDMJORHT-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001036423701 1343478145 /nfs/dbraw/zinc/47/81/45/1343478145.db2.gz DPWWLOCKGOQNNP-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001036423703 1343478281 /nfs/dbraw/zinc/47/82/81/1343478281.db2.gz DPWWLOCKGOQNNP-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036730969 1343661266 /nfs/dbraw/zinc/66/12/66/1343661266.db2.gz MCZCVLUBIUFALP-RDJZCZTQSA-N 2 0 349.544 3.146 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC(C)(C)C)C2)CC1 ZINC001036854706 1343789236 /nfs/dbraw/zinc/78/92/36/1343789236.db2.gz POHRRYVZSRFEHU-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037104413 1343975276 /nfs/dbraw/zinc/97/52/76/1343975276.db2.gz UELGUCHTKZAILI-MOPGFXCFSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037237163 1344059774 /nfs/dbraw/zinc/05/97/74/1344059774.db2.gz USWJCXMJWVLABE-RTBURBONSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1[NH2+]CC(C)C ZINC001037871222 1344153279 /nfs/dbraw/zinc/15/32/79/1344153279.db2.gz XXEOYEYHHSDHLG-APWZRJJASA-N 2 0 342.487 3.129 20 0 EGADRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001037978725 1344217248 /nfs/dbraw/zinc/21/72/48/1344217248.db2.gz NLHGKFKPKPHJKU-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038241034 1344338655 /nfs/dbraw/zinc/33/86/55/1344338655.db2.gz SBBOHPLZDQXJBA-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038339864 1344387370 /nfs/dbraw/zinc/38/73/70/1344387370.db2.gz KDGLBIITMBJSAK-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038405048 1344413349 /nfs/dbraw/zinc/41/33/49/1344413349.db2.gz KRLHELCQEQPBBV-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1CCCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620901 1344508230 /nfs/dbraw/zinc/50/82/30/1344508230.db2.gz FVGPJZRSHGAQBU-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001038783392 1344582703 /nfs/dbraw/zinc/58/27/03/1344582703.db2.gz WYWIGMLYWJMFDM-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCC2)cc1 ZINC001038815869 1344594783 /nfs/dbraw/zinc/59/47/83/1344594783.db2.gz HUPYZDANEIBNRD-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCC1 ZINC001038910173 1344647516 /nfs/dbraw/zinc/64/75/16/1344647516.db2.gz VASGKRMRBQXQKS-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001039046797 1344732786 /nfs/dbraw/zinc/73/27/86/1344732786.db2.gz BUVLVJUABXIOAD-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167052 1344852938 /nfs/dbraw/zinc/85/29/38/1344852938.db2.gz KXEFQRPPAJDTPM-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205217 1344915928 /nfs/dbraw/zinc/91/59/28/1344915928.db2.gz NGXXMRJQDROKOP-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243115 1344970192 /nfs/dbraw/zinc/97/01/92/1344970192.db2.gz SNCZIUIZUGLOTA-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001039939855 1345253231 /nfs/dbraw/zinc/25/32/31/1345253231.db2.gz UOYHDFXPPQQZAB-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040277021 1345408330 /nfs/dbraw/zinc/40/83/30/1345408330.db2.gz TYPYMWCICGUZAM-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040355747 1345450715 /nfs/dbraw/zinc/45/07/15/1345450715.db2.gz DDMYOTIEFARWAP-IRFCIJBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2)[NH+]1CCCCC1 ZINC001040545068 1345539930 /nfs/dbraw/zinc/53/99/30/1345539930.db2.gz MKSCYJMFEPCHJN-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)CC)CC2 ZINC001040723733 1345570865 /nfs/dbraw/zinc/57/08/65/1345570865.db2.gz LDUGFYWDIOAOSC-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001040723723 1345570920 /nfs/dbraw/zinc/57/09/20/1345570920.db2.gz LDUGFYWDIOAOSC-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040725100 1345571422 /nfs/dbraw/zinc/57/14/22/1345571422.db2.gz XGBCEEVPNBIAAH-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733231 1345572109 /nfs/dbraw/zinc/57/21/09/1345572109.db2.gz QQRFJRAMUONNLH-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1=CCCCC1)CC2)[NH+](C)C ZINC001040744842 1345573204 /nfs/dbraw/zinc/57/32/04/1345573204.db2.gz CLIHIZNRAGNPCA-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCC1CCCC1)CC2)[NH+](C)C ZINC001040853651 1345588141 /nfs/dbraw/zinc/58/81/41/1345588141.db2.gz VNSQRZBEFLRJJB-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040953018 1345608987 /nfs/dbraw/zinc/60/89/87/1345608987.db2.gz IYMOPDREACTDSZ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040953633 1345609569 /nfs/dbraw/zinc/60/95/69/1345609569.db2.gz QZCJAIFXSQRBFR-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357368 1345709034 /nfs/dbraw/zinc/70/90/34/1345709034.db2.gz GVBJKXMOEGNNII-TZIWHRDSSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357750 1345709543 /nfs/dbraw/zinc/70/95/43/1345709543.db2.gz INMMGTGBGKEMJU-TZIWHRDSSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001041377719 1345712537 /nfs/dbraw/zinc/71/25/37/1345712537.db2.gz DUJQUIYWAKWSCW-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C2C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001044128441 1346255883 /nfs/dbraw/zinc/25/58/83/1346255883.db2.gz RLYFHPTZPBSLJL-UHFFFAOYSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044627605 1346386654 /nfs/dbraw/zinc/38/66/54/1346386654.db2.gz ASYLIKZWJQAWHW-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630359 1346388004 /nfs/dbraw/zinc/38/80/04/1346388004.db2.gz VWXZFTYSQJJBCP-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001044778234 1346426482 /nfs/dbraw/zinc/42/64/82/1346426482.db2.gz XWZQDKVAYMYWMF-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C[C@@H]2C)CC1 ZINC001044790875 1346428639 /nfs/dbraw/zinc/42/86/39/1346428639.db2.gz DHJSTSAAPTXSJZ-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044882005 1346453748 /nfs/dbraw/zinc/45/37/48/1346453748.db2.gz WURCURCUQGXMQW-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045104226 1346495444 /nfs/dbraw/zinc/49/54/44/1346495444.db2.gz VJUCVSRFRQHSNJ-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001045444560 1346595048 /nfs/dbraw/zinc/59/50/48/1346595048.db2.gz PGMDDWYMLRZJRK-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045557369 1346628708 /nfs/dbraw/zinc/62/87/08/1346628708.db2.gz IMQGEXVIHBZKPY-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045589876 1346638942 /nfs/dbraw/zinc/63/89/42/1346638942.db2.gz OAKUCEWRPYFVPZ-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H](F)CC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045590236 1346639077 /nfs/dbraw/zinc/63/90/77/1346639077.db2.gz VILRMXYZOGMIPD-MRXNPFEDSA-N 2 0 349.494 3.081 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001045731476 1346681842 /nfs/dbraw/zinc/68/18/42/1346681842.db2.gz HWGYGGUENXVXEG-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045776626 1346695909 /nfs/dbraw/zinc/69/59/09/1346695909.db2.gz YYSMFRFRQBKSJM-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045797765 1346700965 /nfs/dbraw/zinc/70/09/65/1346700965.db2.gz ZPFOMMGLBIYOMA-OTWHNJEPSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001045803553 1346702799 /nfs/dbraw/zinc/70/27/99/1346702799.db2.gz YMZKMJVWASCFKY-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC1 ZINC001045869456 1346726621 /nfs/dbraw/zinc/72/66/21/1346726621.db2.gz XGTYAGAVBBYRFT-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045948635 1346783827 /nfs/dbraw/zinc/78/38/27/1346783827.db2.gz NCHFHGTZVKBZCX-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965147 1346800376 /nfs/dbraw/zinc/80/03/76/1346800376.db2.gz FGRWNYIIPFDRKW-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045972250 1346808014 /nfs/dbraw/zinc/80/80/14/1346808014.db2.gz XGOWXERSSJPFBZ-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974066 1346810238 /nfs/dbraw/zinc/81/02/38/1346810238.db2.gz XFBACPBGZZOGNG-PZJWPPBQSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(CC)CC)C2)C1 ZINC001046561113 1347017354 /nfs/dbraw/zinc/01/73/54/1347017354.db2.gz DFYIHALIVOYHLN-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587743 1347028004 /nfs/dbraw/zinc/02/80/04/1347028004.db2.gz HALQVXFFHHDQAV-CTNGQTDRSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@H+](CCC(C)(C)C)C2)c1 ZINC001046852957 1347129959 /nfs/dbraw/zinc/12/99/59/1347129959.db2.gz RIHGQMPQFARKHG-NRFANRHFSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047240943 1347267050 /nfs/dbraw/zinc/26/70/50/1347267050.db2.gz LVGOWAOEUWUDCC-UXHICEINSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079687171 1357348361 /nfs/dbraw/zinc/34/83/61/1357348361.db2.gz KFKGYFKKLRDGBS-RLLQIKCJSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001047863394 1347393375 /nfs/dbraw/zinc/39/33/75/1347393375.db2.gz CUXVOGSSWNOSSX-FUHWJXTLSA-N 2 0 346.519 3.139 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001048510455 1347573009 /nfs/dbraw/zinc/57/30/09/1347573009.db2.gz MHMRWLZZECSUTD-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)CC1 ZINC001183034989 1387255136 /nfs/dbraw/zinc/25/51/36/1387255136.db2.gz AUCLDXNZBJHTBP-IBGZPJMESA-N 2 0 326.488 3.025 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001048529968 1347580163 /nfs/dbraw/zinc/58/01/63/1347580163.db2.gz AEZLYQAQJWDKRG-OUUBHVDSSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048530900 1347580382 /nfs/dbraw/zinc/58/03/82/1347580382.db2.gz DSYSGSOLOSCXGI-IYWMVGAKSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583227 1347605704 /nfs/dbraw/zinc/60/57/04/1347605704.db2.gz GZDLNOOZECDUPS-FSGKZVOOSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589804 1347609067 /nfs/dbraw/zinc/60/90/67/1347609067.db2.gz AQNJPRNIBNUDMX-KNJMJIDISA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001048601030 1347614472 /nfs/dbraw/zinc/61/44/72/1347614472.db2.gz YFLUZIFBILVTRD-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049507244 1347883624 /nfs/dbraw/zinc/88/36/24/1347883624.db2.gz FHCRJZQTMDGMFP-GUDVDZBRSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC2=CCCCC2)CCC1 ZINC001049518790 1347888503 /nfs/dbraw/zinc/88/85/03/1347888503.db2.gz VTZFSHYLIQIHRF-OALUTQOASA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049550114 1347903528 /nfs/dbraw/zinc/90/35/28/1347903528.db2.gz KEUHZGLOSNRYPS-AQNXPRMDSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561534 1347910061 /nfs/dbraw/zinc/91/00/61/1347910061.db2.gz MLFRZURVPLTFTQ-MOPGFXCFSA-N 2 0 340.471 3.122 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049655832 1347957914 /nfs/dbraw/zinc/95/79/14/1347957914.db2.gz RWLVUBXOYGJFBV-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914013 1348108911 /nfs/dbraw/zinc/10/89/11/1348108911.db2.gz LHGNLCCGWVEYHW-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001050324875 1348228312 /nfs/dbraw/zinc/22/83/12/1348228312.db2.gz FBXZJADXPGIISL-FHWLQOOXSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)CC[N@@H+]1C ZINC001050358609 1348237282 /nfs/dbraw/zinc/23/72/82/1348237282.db2.gz MNBJCTDMWRKWGR-LEAZDLGRSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001050367227 1348240663 /nfs/dbraw/zinc/24/06/63/1348240663.db2.gz JBLFGDACEZKEMK-IHPCNDPISA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001050374296 1348242372 /nfs/dbraw/zinc/24/23/72/1348242372.db2.gz RMGVTXBZQMJWGO-IHPCNDPISA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050550570 1348288202 /nfs/dbraw/zinc/28/82/02/1348288202.db2.gz NGXTWKZDYQXHSG-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001079850607 1357400583 /nfs/dbraw/zinc/40/05/83/1357400583.db2.gz PEYHZCLJVMJINK-NSISKUIASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CCC1CCCC1)CC2)[NH+](C)C ZINC001050652094 1348317502 /nfs/dbraw/zinc/31/75/02/1348317502.db2.gz PIAPBWSYKRGKBK-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC001051342128 1348438098 /nfs/dbraw/zinc/43/80/98/1348438098.db2.gz DLKKVFVTSQQUIL-QXAKKESOSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052369826 1348534167 /nfs/dbraw/zinc/53/41/67/1348534167.db2.gz VVAONPCMOJBIPT-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052499214 1348559483 /nfs/dbraw/zinc/55/94/83/1348559483.db2.gz QHYRQGQUWHSZFU-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052499216 1348559849 /nfs/dbraw/zinc/55/98/49/1348559849.db2.gz QHYRQGQUWHSZFU-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052499534 1348560437 /nfs/dbraw/zinc/56/04/37/1348560437.db2.gz XBYCQKBYZKNZHQ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCC[N@@H+](CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001052506899 1348561409 /nfs/dbraw/zinc/56/14/09/1348561409.db2.gz NMZGPGKDRDBTFU-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515297 1348563955 /nfs/dbraw/zinc/56/39/55/1348563955.db2.gz CSZRPQITAQGNMS-OALUTQOASA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561507 1348579510 /nfs/dbraw/zinc/57/95/10/1348579510.db2.gz AEGJDNKNEBYKOE-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651682 1348614557 /nfs/dbraw/zinc/61/45/57/1348614557.db2.gz LQNBPNMQKNVPIB-IEBWSBKVSA-N 2 0 335.536 3.163 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052711893 1348645237 /nfs/dbraw/zinc/64/52/37/1348645237.db2.gz ATNZUSPKBYAWRO-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764985 1348670281 /nfs/dbraw/zinc/67/02/81/1348670281.db2.gz UTLMMOPGDSCIOA-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837774 1348695721 /nfs/dbraw/zinc/69/57/21/1348695721.db2.gz VUIUKUCOQCILRX-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837527 1348695735 /nfs/dbraw/zinc/69/57/35/1348695735.db2.gz QHXLONSEDRRDGC-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001052937222 1348756371 /nfs/dbraw/zinc/75/63/71/1348756371.db2.gz IPAVNBWACNUZPV-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937884 1348756812 /nfs/dbraw/zinc/75/68/12/1348756812.db2.gz ONWXMNOLCQMIBK-OALUTQOASA-N 2 0 343.515 3.123 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052955565 1348769314 /nfs/dbraw/zinc/76/93/14/1348769314.db2.gz HHXYJMXYSIJISW-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052956806 1348770810 /nfs/dbraw/zinc/77/08/10/1348770810.db2.gz ZDKOJZKWNLQDAD-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052956807 1348771080 /nfs/dbraw/zinc/77/10/80/1348771080.db2.gz ZDKOJZKWNLQDAD-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096718 1348927326 /nfs/dbraw/zinc/92/73/26/1348927326.db2.gz YPJATHPPOHWFSU-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054153900 1349157068 /nfs/dbraw/zinc/15/70/68/1349157068.db2.gz MRLOTAKHFYAFEW-QUCCMNQESA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@@H+]1Cc2ccc(CNC(=O)c3sccc3C[NH+](C)C)cc2C1 ZINC001054267242 1349264723 /nfs/dbraw/zinc/26/47/23/1349264723.db2.gz JFRICJASGNAKOM-UHFFFAOYSA-N 2 0 343.496 3.075 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001054297863 1349302321 /nfs/dbraw/zinc/30/23/21/1349302321.db2.gz YTBJXYDLLWDBBJ-GPMSIDNRSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054738249 1349450692 /nfs/dbraw/zinc/45/06/92/1349450692.db2.gz OKAIWWXPPVFVRN-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001183129573 1387267103 /nfs/dbraw/zinc/26/71/03/1387267103.db2.gz UXUWJVQWBRHSJJ-QWFCFKBJSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627374 1354811849 /nfs/dbraw/zinc/81/18/49/1354811849.db2.gz DRZUGJJJJRHDON-ZBFHGGJFSA-N 2 0 328.460 3.026 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1=CCCCC1 ZINC001071646051 1354824055 /nfs/dbraw/zinc/82/40/55/1354824055.db2.gz RKLQYLOHNGOKQV-HKUYNNGSSA-N 2 0 345.531 3.084 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001071739302 1354889406 /nfs/dbraw/zinc/88/94/06/1354889406.db2.gz QNVLGLJCLXNICK-PKOBYXMFSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071819241 1354959777 /nfs/dbraw/zinc/95/97/77/1354959777.db2.gz STWMTKMHVOKKMD-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953882 1355040265 /nfs/dbraw/zinc/04/02/65/1355040265.db2.gz GUDVAEBNOTVTGR-PKOBYXMFSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071972910 1355054108 /nfs/dbraw/zinc/05/41/08/1355054108.db2.gz CGIGTQXDPWXGNA-YLJYHZDGSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072098655 1355128479 /nfs/dbraw/zinc/12/84/79/1355128479.db2.gz DLHIITXRSHRQRT-HKUYNNGSSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099423 1355129173 /nfs/dbraw/zinc/12/91/73/1355129173.db2.gz QOBDNPHKDKEAIU-HKUYNNGSSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001072297776 1355227365 /nfs/dbraw/zinc/22/73/65/1355227365.db2.gz ODJFNZCQFRRGQU-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001072297774 1355227655 /nfs/dbraw/zinc/22/76/55/1355227655.db2.gz ODJFNZCQFRRGQU-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001072301475 1355228694 /nfs/dbraw/zinc/22/86/94/1355228694.db2.gz QVRZFKFZFANQKA-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462641 1355796244 /nfs/dbraw/zinc/79/62/44/1355796244.db2.gz VPBXULIFTIMLFX-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001074063777 1356062243 /nfs/dbraw/zinc/06/22/43/1356062243.db2.gz SXVUXPJNIWKAOA-IEBWSBKVSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001074075988 1356070638 /nfs/dbraw/zinc/07/06/38/1356070638.db2.gz YFCOQAFVULNPGE-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074684133 1356223925 /nfs/dbraw/zinc/22/39/25/1356223925.db2.gz GQVTYAMUQADSCB-IHPCNDPISA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)[C@@H]2C)C1 ZINC001074878105 1356276810 /nfs/dbraw/zinc/27/68/10/1356276810.db2.gz ALYSDKIHEVTGBL-BJLQDIEVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001074877505 1356276971 /nfs/dbraw/zinc/27/69/71/1356276971.db2.gz CEJLMIXURRVVJG-HBFSDRIKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C)c1ccccc1 ZINC001074878422 1356276987 /nfs/dbraw/zinc/27/69/87/1356276987.db2.gz UFZYHWUIOVCJEK-LNLFQRSKSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001074882811 1356278358 /nfs/dbraw/zinc/27/83/58/1356278358.db2.gz GYKDSMOQHQLMLT-JEVOJNTISA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001075068767 1356291290 /nfs/dbraw/zinc/29/12/90/1356291290.db2.gz IGRZRLXUHPCRRJ-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)c1ccccc1Cl ZINC001075110983 1356310654 /nfs/dbraw/zinc/31/06/54/1356310654.db2.gz VYQJBMGWVUOBPO-VKJFTORMSA-N 2 0 349.906 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 ZINC001075451415 1356385770 /nfs/dbraw/zinc/38/57/70/1356385770.db2.gz SWDPQKHOWSJIOQ-QGZVFWFLSA-N 2 0 346.519 3.093 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099297830 1363737219 /nfs/dbraw/zinc/73/72/19/1363737219.db2.gz JGMXIISCOIHIEV-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001080756136 1357733176 /nfs/dbraw/zinc/73/31/76/1357733176.db2.gz JRFAVMNNOANXAZ-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC001183279465 1387290381 /nfs/dbraw/zinc/29/03/81/1387290381.db2.gz QOKQPVUUVBBQOW-NRSPTQNISA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082544546 1358057069 /nfs/dbraw/zinc/05/70/69/1358057069.db2.gz HYLHDLKWLAFKLQ-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085196957 1358431508 /nfs/dbraw/zinc/43/15/08/1358431508.db2.gz WKJVPNGLCHAWNB-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2occc2C[NH+](C)C)C1 ZINC001085313106 1358462737 /nfs/dbraw/zinc/46/27/37/1358462737.db2.gz JSVLVCJNEYHUTE-NANBGGJNSA-N 2 0 347.503 3.018 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)C1 ZINC001085332659 1358470112 /nfs/dbraw/zinc/47/01/12/1358470112.db2.gz HSFRWGSTQUCIBQ-DFQSSKMNSA-N 2 0 347.547 3.236 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085432017 1358498514 /nfs/dbraw/zinc/49/85/14/1358498514.db2.gz DWHYSTYKRFLKPU-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085688146 1358688081 /nfs/dbraw/zinc/68/80/81/1358688081.db2.gz CSHBYIHRQZCQMH-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085687553 1358688282 /nfs/dbraw/zinc/68/82/82/1358688282.db2.gz QNLADQXKBHBVLS-VQTJNVASSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085856444 1358823636 /nfs/dbraw/zinc/82/36/36/1358823636.db2.gz ZBRPJQNQISLVLL-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001085901759 1358860078 /nfs/dbraw/zinc/86/00/78/1358860078.db2.gz MBVNCFMXHRUTBM-GOSISDBHSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085987735 1358939039 /nfs/dbraw/zinc/93/90/39/1358939039.db2.gz KKWRRXXUIRKZGD-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086084803 1358991832 /nfs/dbraw/zinc/99/18/32/1358991832.db2.gz GSGXMBDJKHNYJN-RAUXBKROSA-N 2 0 343.515 3.105 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001086149243 1359009190 /nfs/dbraw/zinc/00/91/90/1359009190.db2.gz XTKVCLJRFMMWGP-MAEOIBBWSA-N 2 0 340.471 3.013 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086415024 1359091375 /nfs/dbraw/zinc/09/13/75/1359091375.db2.gz VRTGUVKOGMWWAP-UFYCRDLUSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086534115 1359135279 /nfs/dbraw/zinc/13/52/79/1359135279.db2.gz PPQIKAGLMOWDGI-UAFMIMERSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086558790 1359144925 /nfs/dbraw/zinc/14/49/25/1359144925.db2.gz RIUKIIHSLVGXNX-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086734637 1359193570 /nfs/dbraw/zinc/19/35/70/1359193570.db2.gz NJLYHXZKPAZCGE-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907785 1359236408 /nfs/dbraw/zinc/23/64/08/1359236408.db2.gz BNYSCOREVKADKI-MJGOQNOKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939053 1359261698 /nfs/dbraw/zinc/26/16/98/1359261698.db2.gz HLACFBYYQIMPQD-FHWLQOOXSA-N 2 0 349.563 3.076 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956730 1359277611 /nfs/dbraw/zinc/27/76/11/1359277611.db2.gz WASSAOIEBAUXTO-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001087168334 1359312283 /nfs/dbraw/zinc/31/22/83/1359312283.db2.gz GPQLKYMXGNJRCF-IZBJGVDFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087212835 1359322653 /nfs/dbraw/zinc/32/26/53/1359322653.db2.gz RRXADOCDBJTGRK-HBFSDRIKSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001087249385 1359330257 /nfs/dbraw/zinc/33/02/57/1359330257.db2.gz ZTKAQKNYUCSJMN-OAHAVBBTSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087318429 1359409530 /nfs/dbraw/zinc/40/95/30/1359409530.db2.gz XRXFVEPWLSUNMA-YZGWKJHDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184135312 1387399328 /nfs/dbraw/zinc/39/93/28/1387399328.db2.gz NMEUGJAKFXQQOE-CJNGLKHVSA-N 2 0 337.305 3.312 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001087523391 1359509622 /nfs/dbraw/zinc/50/96/22/1359509622.db2.gz UNCUVUIMVWKLQG-OTWHNJEPSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572346 1359537492 /nfs/dbraw/zinc/53/74/92/1359537492.db2.gz MZYHGUUSLDWPKI-OKZBNKHCSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1CC ZINC001087593554 1359547769 /nfs/dbraw/zinc/54/77/69/1359547769.db2.gz LAUWQQYKFYZEIT-XUVXKRRUSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671489 1359582269 /nfs/dbraw/zinc/58/22/69/1359582269.db2.gz DSEVXEHXLSORNG-ZCNNSNEGSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001087671992 1359582706 /nfs/dbraw/zinc/58/27/06/1359582706.db2.gz YXCLJEGCNYFXBI-OTWHNJEPSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC=C(C)C ZINC001087749625 1359626213 /nfs/dbraw/zinc/62/62/13/1359626213.db2.gz RWWXBIHMXAXHFC-CEXWTWQISA-N 2 0 335.536 3.186 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCC1 ZINC001087750007 1359627178 /nfs/dbraw/zinc/62/71/78/1359627178.db2.gz MZDOUALBPHYCNX-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762734 1359631972 /nfs/dbraw/zinc/63/19/72/1359631972.db2.gz KVSNBLBDPNHHEN-GBESFXJTSA-N 2 0 349.494 3.079 20 0 EGADRP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001323660221 1387419141 /nfs/dbraw/zinc/41/91/41/1387419141.db2.gz LMAHUFSZJWTJTF-YQQQUEKLSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001088367465 1359851517 /nfs/dbraw/zinc/85/15/17/1359851517.db2.gz KQJXCGNDHHZHHL-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088382028 1359864748 /nfs/dbraw/zinc/86/47/48/1359864748.db2.gz SFEPSBOUOYZLMY-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001088383151 1359865540 /nfs/dbraw/zinc/86/55/40/1359865540.db2.gz WKSAVQQUAIHFPS-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC)C1 ZINC001088411904 1359883260 /nfs/dbraw/zinc/88/32/60/1359883260.db2.gz SUYNBKIQBAETJE-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088413279 1359883978 /nfs/dbraw/zinc/88/39/78/1359883978.db2.gz BXVYYQASBIJZHQ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088579384 1359978581 /nfs/dbraw/zinc/97/85/81/1359978581.db2.gz DHJGQKSMZPCGBW-BTHPGYMESA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088605212 1359989231 /nfs/dbraw/zinc/98/92/31/1359989231.db2.gz LGNJFSZPWSKOIU-NEWSRXKRSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001088621933 1359994377 /nfs/dbraw/zinc/99/43/77/1359994377.db2.gz AFZYESPVPYWTDU-LSTHTHJFSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001088792647 1360045678 /nfs/dbraw/zinc/04/56/78/1360045678.db2.gz ZRIHJNGNBRZKKH-AEFFLSMTSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001089060805 1360152719 /nfs/dbraw/zinc/15/27/19/1360152719.db2.gz HOYQUYIOXBVZLR-BPQIPLTHSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCC2)C1 ZINC001089185233 1360235640 /nfs/dbraw/zinc/23/56/40/1360235640.db2.gz CPVRTMZWTRQANH-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001089215013 1360260650 /nfs/dbraw/zinc/26/06/50/1360260650.db2.gz GGILOQSQNHCNIF-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333640 1360347100 /nfs/dbraw/zinc/34/71/00/1360347100.db2.gz BMNJSPFOWBXHNK-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333631 1360347505 /nfs/dbraw/zinc/34/75/05/1360347505.db2.gz BMDNQPFJSGRHMR-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089381818 1360384453 /nfs/dbraw/zinc/38/44/53/1360384453.db2.gz OQYFEPHJKQUMIW-RBUKOAKNSA-N 2 0 349.563 3.432 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383403 1360385690 /nfs/dbraw/zinc/38/56/90/1360385690.db2.gz YCFANCNTTFZFBA-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386970 1360387715 /nfs/dbraw/zinc/38/77/15/1360387715.db2.gz WAZKIHFIIGYXFO-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386964 1360387854 /nfs/dbraw/zinc/38/78/54/1360387854.db2.gz WAZKIHFIIGYXFO-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487140 1360467910 /nfs/dbraw/zinc/46/79/10/1360467910.db2.gz HWOOAYNZFJWVMY-GOSISDBHSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089538227 1360496705 /nfs/dbraw/zinc/49/67/05/1360496705.db2.gz VGTRLFZQWHQODC-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559890 1360507226 /nfs/dbraw/zinc/50/72/26/1360507226.db2.gz SVPGWRFSDNNEFD-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001089617488 1360536773 /nfs/dbraw/zinc/53/67/73/1360536773.db2.gz AFRSGUWOVONVQQ-MOPGFXCFSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616426 1360536877 /nfs/dbraw/zinc/53/68/77/1360536877.db2.gz GVAPRMBVMMPNJT-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089645856 1360558160 /nfs/dbraw/zinc/55/81/60/1360558160.db2.gz BQYLGONYWPCZGS-RBUKOAKNSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089710082 1360614399 /nfs/dbraw/zinc/61/43/99/1360614399.db2.gz ANQTVXPQNJZTFD-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091059158 1360987569 /nfs/dbraw/zinc/98/75/69/1360987569.db2.gz FQISUIWKNHPFTE-SOAGJPPSSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585510 1387497771 /nfs/dbraw/zinc/49/77/71/1387497771.db2.gz PVDCFKPSJCCYGZ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672031 1361177000 /nfs/dbraw/zinc/17/70/00/1361177000.db2.gz DCZNHYHTJNGVPB-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001323992307 1387505455 /nfs/dbraw/zinc/50/54/55/1387505455.db2.gz RMNUSFDUABGXDP-FDDCHVKYSA-N 2 0 349.522 3.457 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092604556 1361420440 /nfs/dbraw/zinc/42/04/40/1361420440.db2.gz MHZYPCGBFFOQHB-RLLQIKCJSA-N 2 0 347.547 3.044 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184722980 1387520226 /nfs/dbraw/zinc/52/02/26/1387520226.db2.gz GIIZHTZOXUPRCK-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184711897 1387517159 /nfs/dbraw/zinc/51/71/59/1387517159.db2.gz HVMWADUPVNLQGB-WMZOPIPTSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094429995 1361798795 /nfs/dbraw/zinc/79/87/95/1361798795.db2.gz CTXABMMIJVNOIQ-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094444733 1361803186 /nfs/dbraw/zinc/80/31/86/1361803186.db2.gz GGKDTMAIOPCBCH-UYAOXDASSA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001094557348 1361858149 /nfs/dbraw/zinc/85/81/49/1361858149.db2.gz TZXUBSMWFOWRLH-SFHLNBCPSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CCc2c[nH]cn2)CC1 ZINC001324317831 1387590023 /nfs/dbraw/zinc/59/00/23/1387590023.db2.gz BAJQZDQKHVOLQC-INIZCTEOSA-N 2 0 340.471 3.074 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001097062980 1362829299 /nfs/dbraw/zinc/82/92/99/1362829299.db2.gz APKFZAWZOKDPDY-YSTOQKLRSA-N 2 0 347.547 3.161 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001097176888 1362874990 /nfs/dbraw/zinc/87/49/90/1362874990.db2.gz BBFSLVHCNFEWDQ-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185169492 1387631948 /nfs/dbraw/zinc/63/19/48/1387631948.db2.gz MEOVKMDYNAQFDY-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)C1CC1 ZINC001099106367 1363624667 /nfs/dbraw/zinc/62/46/67/1363624667.db2.gz DVJDXNMJPWLVMH-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099131042 1363643698 /nfs/dbraw/zinc/64/36/98/1363643698.db2.gz VYWJRYIMUDWROH-KRWDZBQOSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099194676 1363685234 /nfs/dbraw/zinc/68/52/34/1363685234.db2.gz QTUQMWWJFTVVQW-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001099213324 1363694334 /nfs/dbraw/zinc/69/43/34/1363694334.db2.gz CDDGUEKOSNGSDL-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099235143 1363706504 /nfs/dbraw/zinc/70/65/04/1363706504.db2.gz POZIWVUXWVIYCP-OXUXSNCKSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099276735 1363727838 /nfs/dbraw/zinc/72/78/38/1363727838.db2.gz VYQBAOKBAOVVAX-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099298300 1363737003 /nfs/dbraw/zinc/73/70/03/1363737003.db2.gz KMWNKGKOTKQFLO-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099299430 1363737892 /nfs/dbraw/zinc/73/78/92/1363737892.db2.gz UEXCDHHIXIWAFT-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340541 1363760321 /nfs/dbraw/zinc/76/03/21/1363760321.db2.gz UVFZHYIPMYZPSN-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)CC[NH+]2CCCCC2)[N@H+](CC2CCC2)C1 ZINC001099355110 1363768867 /nfs/dbraw/zinc/76/88/67/1363768867.db2.gz XUQJKDQWRTZVOS-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)[N@H+](CC2CCC2)C1 ZINC001099354442 1363769276 /nfs/dbraw/zinc/76/92/76/1363769276.db2.gz SMNHLTYNHUEKEG-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001100405858 1364104192 /nfs/dbraw/zinc/10/41/92/1364104192.db2.gz PXXSREYEIMLEJV-NKELODKYSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406770 1364104215 /nfs/dbraw/zinc/10/42/15/1364104215.db2.gz LPNUACFAARQXND-ACBHZAAOSA-N 2 0 337.552 3.170 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100538387 1364151311 /nfs/dbraw/zinc/15/13/11/1364151311.db2.gz ROQSTZHSOLYFPJ-VOTSOKGWSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100601844 1364184358 /nfs/dbraw/zinc/18/43/58/1364184358.db2.gz GWZMWVHGAMYCCO-QLOJAFMTSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1)[NH+](CC)CC ZINC001100669402 1364211378 /nfs/dbraw/zinc/21/13/78/1364211378.db2.gz WXOPEDPGTAWJNL-SOAGJPPSSA-N 2 0 349.563 3.482 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)C1 ZINC001100681156 1364215981 /nfs/dbraw/zinc/21/59/81/1364215981.db2.gz YOLFGUIMBGKMAC-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]C[C@@H](C)CC)C1 ZINC001100765164 1364251533 /nfs/dbraw/zinc/25/15/33/1364251533.db2.gz WPSXEEDTYABUHU-AOCRQIFASA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100890421 1364314829 /nfs/dbraw/zinc/31/48/29/1364314829.db2.gz ZOPFKRUBCHFECU-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001324555679 1387671024 /nfs/dbraw/zinc/67/10/24/1387671024.db2.gz BMNFPQJYFPIDAG-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001100996990 1364362969 /nfs/dbraw/zinc/36/29/69/1364362969.db2.gz QBVPAWBSXZHSKB-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)c1ccc(C[NH2+]C2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001101039402 1364385660 /nfs/dbraw/zinc/38/56/60/1364385660.db2.gz JXRAKBGGJAQMRN-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230710 1364476490 /nfs/dbraw/zinc/47/64/90/1364476490.db2.gz GNBHQKJUGWNPEG-SBHAEUEKSA-N 2 0 349.563 3.076 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCC)C[C@@]2(C)C1 ZINC001101395774 1364544798 /nfs/dbraw/zinc/54/47/98/1364544798.db2.gz OCHRCWFHMTYHLV-QUCCMNQESA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101477523 1364576470 /nfs/dbraw/zinc/57/64/70/1364576470.db2.gz YMZYQGHKEBABTM-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541802 1364607582 /nfs/dbraw/zinc/60/75/82/1364607582.db2.gz WBPRYKVWYZWNED-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C[NH2+]CC1CCCC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001101595601 1364646241 /nfs/dbraw/zinc/64/62/41/1364646241.db2.gz JJIHCQDOVVXLJJ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119612 1364870131 /nfs/dbraw/zinc/87/01/31/1364870131.db2.gz WAAFKGHLCODTJJ-ASIGSXEYSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520386 1365096983 /nfs/dbraw/zinc/09/69/83/1365096983.db2.gz IJHFNQHLBSBDDU-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001102987634 1365328356 /nfs/dbraw/zinc/32/83/56/1365328356.db2.gz KTUUPEGDDHHRAB-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001103086601 1365374472 /nfs/dbraw/zinc/37/44/72/1365374472.db2.gz KAICMBREWZCSNQ-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271609 1365465485 /nfs/dbraw/zinc/46/54/85/1365465485.db2.gz WYFYRGSYPWNCIT-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308707 1365486158 /nfs/dbraw/zinc/48/61/58/1365486158.db2.gz DVKZPNLRMKDTPM-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103397009 1365534541 /nfs/dbraw/zinc/53/45/41/1365534541.db2.gz UGETTWGTOPEJJR-YKMDAGRBSA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001103550484 1365629424 /nfs/dbraw/zinc/62/94/24/1365629424.db2.gz SGMGLDJRXSPUGC-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388214 1365999029 /nfs/dbraw/zinc/99/90/29/1365999029.db2.gz LWKMXVYKQAKTFG-LZLYRXPVSA-N 2 0 342.487 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C)cc2)C1 ZINC001324817218 1387782477 /nfs/dbraw/zinc/78/24/77/1387782477.db2.gz DTWIDTSZIHORJJ-NRFANRHFSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001104753218 1366157558 /nfs/dbraw/zinc/15/75/58/1366157558.db2.gz XKXHGQBMJNHCOS-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104753953 1366158088 /nfs/dbraw/zinc/15/80/88/1366158088.db2.gz WLOZCRRWXGJGPI-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001104809492 1366183566 /nfs/dbraw/zinc/18/35/66/1366183566.db2.gz HWAIPTHNWKHGAU-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104895937 1366213831 /nfs/dbraw/zinc/21/38/31/1366213831.db2.gz IDHSIYHZTFXQOU-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396775 1366445267 /nfs/dbraw/zinc/44/52/67/1366445267.db2.gz VYAVBECKDVHYAH-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105518021 1366505546 /nfs/dbraw/zinc/50/55/46/1366505546.db2.gz PBBOXRFRNAAFTJ-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1)[NH+](C)C ZINC001105544635 1366521744 /nfs/dbraw/zinc/52/17/44/1366521744.db2.gz OXFLTJPZISKDNO-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105564322 1366533259 /nfs/dbraw/zinc/53/32/59/1366533259.db2.gz ZTNXKORVTJWHGG-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105579604 1366543086 /nfs/dbraw/zinc/54/30/86/1366543086.db2.gz SCJLKGLDNFMMSD-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106271621 1366640162 /nfs/dbraw/zinc/64/01/62/1366640162.db2.gz IYICACSECOOCSE-JCHUFIKGSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588319 1366746224 /nfs/dbraw/zinc/74/62/24/1366746224.db2.gz PCEUZJPRJOEUHD-SJLPKXTDSA-N 2 0 349.519 3.075 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001106898066 1366827552 /nfs/dbraw/zinc/82/75/52/1366827552.db2.gz QWBGVPSQOLEEFU-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](CC)c2ccccc2)[C@H](C)C1 ZINC001106908069 1366830043 /nfs/dbraw/zinc/83/00/43/1366830043.db2.gz OIVFQLFWMNLJJH-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001107030796 1366861220 /nfs/dbraw/zinc/86/12/20/1366861220.db2.gz XBHYYWQUJJMKHG-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439330 1366963848 /nfs/dbraw/zinc/96/38/48/1366963848.db2.gz WEFLKZQUALOGBS-SFHLNBCPSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450138 1366968298 /nfs/dbraw/zinc/96/82/98/1366968298.db2.gz FGPXUASCFJNERT-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107488838 1366989618 /nfs/dbraw/zinc/98/96/18/1366989618.db2.gz ZHBLZUMMZQQCND-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530758 1367022787 /nfs/dbraw/zinc/02/27/87/1367022787.db2.gz KDTWDLXIZSDLJZ-YKMDAGRBSA-N 2 0 335.536 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546405 1367037231 /nfs/dbraw/zinc/03/72/31/1367037231.db2.gz BLQXCXWOSQMJAI-FBBABVLZSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552827 1367039267 /nfs/dbraw/zinc/03/92/67/1367039267.db2.gz UERFNCVWJJSOMR-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567101 1367047294 /nfs/dbraw/zinc/04/72/94/1367047294.db2.gz JTISQDSKHCCLEO-QWFCFKBJSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582092 1367055611 /nfs/dbraw/zinc/05/56/11/1367055611.db2.gz WOUZXVWLCLJLRE-QWFCFKBJSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582990 1367057579 /nfs/dbraw/zinc/05/75/79/1367057579.db2.gz JOGUVOINRMUXSH-HTJOGQSXSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001107617486 1367075642 /nfs/dbraw/zinc/07/56/42/1367075642.db2.gz JUMJAMRUPGSYKJ-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644883 1367090696 /nfs/dbraw/zinc/09/06/96/1367090696.db2.gz JNIDTKJKYINGOQ-TZIWHRDSSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2CCCC2)C1)[NH+](C)C ZINC001324960907 1387856249 /nfs/dbraw/zinc/85/62/49/1387856249.db2.gz KQHHPKQEQREXBX-AZUAARDMSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001190370600 1367243968 /nfs/dbraw/zinc/24/39/68/1367243968.db2.gz HAFLDWNNPJHRPR-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186081832 1387862726 /nfs/dbraw/zinc/86/27/26/1387862726.db2.gz BHDUVIILAAMHTI-KAGICYHLSA-N 2 0 335.536 3.186 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480507 1367273252 /nfs/dbraw/zinc/27/32/52/1367273252.db2.gz ATCONMRYHHSIGR-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)[NH+](CC)CC ZINC001109714487 1367289829 /nfs/dbraw/zinc/28/98/29/1367289829.db2.gz MHDOGXTZSAYMRD-WCIQWLHISA-N 2 0 349.563 3.409 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C)C(C)C ZINC001109860084 1367364482 /nfs/dbraw/zinc/36/44/82/1367364482.db2.gz KGYIXTQVLMHRQQ-YDZRNGNQSA-N 2 0 337.552 3.120 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1C ZINC001109865560 1367371147 /nfs/dbraw/zinc/37/11/47/1367371147.db2.gz UVRHCWAGFYJMLZ-JYBIWHBTSA-N 2 0 343.515 3.119 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001191029665 1367404876 /nfs/dbraw/zinc/40/48/76/1367404876.db2.gz LEQLKWNSJMMKFL-ABHNRTSZSA-N 2 0 337.552 3.076 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080543 1367419296 /nfs/dbraw/zinc/41/92/96/1367419296.db2.gz INBRTSQMGYZBCY-SFHVURJKSA-N 2 0 342.487 3.225 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080009 1367419480 /nfs/dbraw/zinc/41/94/80/1367419480.db2.gz DGLJRXCJCZGZLF-GOSISDBHSA-N 2 0 342.487 3.369 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560853 1367528811 /nfs/dbraw/zinc/52/88/11/1367528811.db2.gz IMANFELHKSUKSD-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCS(=O)CC1 ZINC001191600775 1367540868 /nfs/dbraw/zinc/54/08/68/1367540868.db2.gz HVOLCFUBXMJCAE-UHFFFAOYSA-N 2 0 334.529 3.015 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001110188976 1367556327 /nfs/dbraw/zinc/55/63/27/1367556327.db2.gz YLGOUSDGQSKFCE-AABGKKOBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188910 1367556368 /nfs/dbraw/zinc/55/63/68/1367556368.db2.gz VSIPNFRAXWUMKA-QYZOEREBSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738762 1367567866 /nfs/dbraw/zinc/56/78/66/1367567866.db2.gz HGVXBBAAJMCCEC-GPXQEHKYSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108783811 1367594221 /nfs/dbraw/zinc/59/42/21/1367594221.db2.gz COWPHDYIKXXMQF-ZCNNSNEGSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108827796 1367623481 /nfs/dbraw/zinc/62/34/81/1367623481.db2.gz BIUQKHPMYMUGDX-OTWHNJEPSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](CC1CCCCC1)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407086 1367775432 /nfs/dbraw/zinc/77/54/32/1367775432.db2.gz QSRNOPYSVMBEEH-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](CC1CCCCC1)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407084 1367775480 /nfs/dbraw/zinc/77/54/80/1367775480.db2.gz QSRNOPYSVMBEEH-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671552 1367845942 /nfs/dbraw/zinc/84/59/42/1367845942.db2.gz MYZMLKGPONDQFU-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671551 1367846323 /nfs/dbraw/zinc/84/63/23/1367846323.db2.gz MYZMLKGPONDQFU-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657898 1367901556 /nfs/dbraw/zinc/90/15/56/1367901556.db2.gz DIVXOTLZOHXPRJ-DTGBZTBESA-N 2 0 347.547 3.042 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661316 1367904026 /nfs/dbraw/zinc/90/40/26/1367904026.db2.gz QIVAJCVRGLPGGM-YSTOQKLRSA-N 2 0 347.547 3.305 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948643 1367909773 /nfs/dbraw/zinc/90/97/73/1367909773.db2.gz UUWUUVZOQRBUBA-MOPGFXCFSA-N 2 0 349.494 3.151 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC(C)C ZINC001110738876 1367955418 /nfs/dbraw/zinc/95/54/18/1367955418.db2.gz XWHGTAOSNYKLLI-TVFCKZIOSA-N 2 0 337.552 3.120 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193610453 1368072661 /nfs/dbraw/zinc/07/26/61/1368072661.db2.gz PHYXYTPLDWPAOR-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)CC1 ZINC001110953732 1368120613 /nfs/dbraw/zinc/12/06/13/1368120613.db2.gz FQAIFDQTPDNYQA-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)CC1 ZINC001110954518 1368121432 /nfs/dbraw/zinc/12/14/32/1368121432.db2.gz SLSKGBJEHNFOIA-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H](c1cccc(Cl)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979968 1368131818 /nfs/dbraw/zinc/13/18/18/1368131818.db2.gz KRRIGVNNPZDBIL-LIRZEXBASA-N 2 0 349.906 3.074 20 0 EGADRP O[C@@]1(C2CC2)CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001193860789 1368132717 /nfs/dbraw/zinc/13/27/17/1368132717.db2.gz WUIYSLPKPXMXGO-QFIPXVFZSA-N 2 0 342.527 3.178 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180601 1368182439 /nfs/dbraw/zinc/18/24/39/1368182439.db2.gz FGGDKTJZJLGHCC-QFTWQFLFSA-N 2 0 347.547 3.186 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228317 1368212919 /nfs/dbraw/zinc/21/29/19/1368212919.db2.gz RRIGBUFECQUKFN-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406927 1368254527 /nfs/dbraw/zinc/25/45/27/1368254527.db2.gz DPQSQQLYFQDMKN-QGZVFWFLSA-N 2 0 349.519 3.458 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494290 1368320676 /nfs/dbraw/zinc/32/06/76/1368320676.db2.gz IQQFECNABYLACO-ILRJUJNRSA-N 2 0 347.547 3.330 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)C(C)C ZINC001186427984 1387940692 /nfs/dbraw/zinc/94/06/92/1387940692.db2.gz KUEVMYYOZHYGOR-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111775990 1368456070 /nfs/dbraw/zinc/45/60/70/1368456070.db2.gz JOHNPNFYRZIRKF-ZVDOUQERSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111775989 1368456271 /nfs/dbraw/zinc/45/62/71/1368456271.db2.gz JOHNPNFYRZIRKF-ZJOUEHCJSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)C(C)C ZINC001186427986 1387940899 /nfs/dbraw/zinc/94/08/99/1387940899.db2.gz KUEVMYYOZHYGOR-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782639 1368460139 /nfs/dbraw/zinc/46/01/39/1368460139.db2.gz RNGZKWGRTWIKDL-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001195785488 1368489300 /nfs/dbraw/zinc/48/93/00/1368489300.db2.gz NEEIVTCNJAOKPI-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CC1)C2 ZINC001111903852 1368548174 /nfs/dbraw/zinc/54/81/74/1368548174.db2.gz SWZITOSXTIGXDO-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001111910309 1368551191 /nfs/dbraw/zinc/55/11/91/1368551191.db2.gz SYSYGCTVRGYLLK-CUWPLCDZSA-N 2 0 343.515 3.060 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111939585 1368568046 /nfs/dbraw/zinc/56/80/46/1368568046.db2.gz IKNHLQYFNIISTB-NGVHCFEESA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111939586 1368568093 /nfs/dbraw/zinc/56/80/93/1368568093.db2.gz IKNHLQYFNIISTB-PTDRADOGSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2 ZINC001111951212 1368571115 /nfs/dbraw/zinc/57/11/15/1368571115.db2.gz XYEQSXHHSXSXCP-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001111950944 1368571736 /nfs/dbraw/zinc/57/17/36/1368571736.db2.gz KVABZARGQMVVTA-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004495 1368608541 /nfs/dbraw/zinc/60/85/41/1368608541.db2.gz GFVKKOIWMMKEPF-FPOVZHCZSA-N 2 0 349.563 3.413 20 0 EGADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001196935382 1368716484 /nfs/dbraw/zinc/71/64/84/1368716484.db2.gz HNRCKKNBMQITQO-NHCUHLMSSA-N 2 0 348.506 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285443 1368748488 /nfs/dbraw/zinc/74/84/88/1368748488.db2.gz XODXEQQZQZOMKM-WHGMVNQHSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@H+](CC(=O)N1CCC[NH+](CCCC2CCC2)CC1)CC(C)(C)C ZINC001197187323 1368761358 /nfs/dbraw/zinc/76/13/58/1368761358.db2.gz DTYSEGOPZVTLLS-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477212 1368822469 /nfs/dbraw/zinc/82/24/69/1368822469.db2.gz DGLYWZGGXADSBU-IBGZPJMESA-N 2 0 339.568 3.467 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001112413490 1368833095 /nfs/dbraw/zinc/83/30/95/1368833095.db2.gz QLETVBQOIRYGLY-YNKJECPDSA-N 2 0 349.563 3.147 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001197708173 1368877565 /nfs/dbraw/zinc/87/75/65/1368877565.db2.gz ZGIYLDLNCFVOIN-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001197899192 1368921734 /nfs/dbraw/zinc/92/17/34/1368921734.db2.gz PTHWPAOEBGXHKZ-QGZVFWFLSA-N 2 0 349.494 3.153 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001197898941 1368921776 /nfs/dbraw/zinc/92/17/76/1368921776.db2.gz IUOTVQIZVAFEAD-QGZVFWFLSA-N 2 0 349.494 3.153 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CCC2CCCCC2)CC1 ZINC001197908078 1368922749 /nfs/dbraw/zinc/92/27/49/1368922749.db2.gz SMXLSITUVPJMMW-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001112557364 1368926816 /nfs/dbraw/zinc/92/68/16/1368926816.db2.gz BYWKIFZVDPWJGI-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC)C1 ZINC001112561581 1368928512 /nfs/dbraw/zinc/92/85/12/1368928512.db2.gz HVPJJCTXPVJYNS-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585527 1368937903 /nfs/dbraw/zinc/93/79/03/1368937903.db2.gz CXDPGMXBSGWNNM-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198259047 1368992209 /nfs/dbraw/zinc/99/22/09/1368992209.db2.gz KEYIXQCRLKMDCZ-IBGZPJMESA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596806 1387979214 /nfs/dbraw/zinc/97/92/14/1387979214.db2.gz ALHPVRNEYBLFGN-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113155137 1369232679 /nfs/dbraw/zinc/23/26/79/1369232679.db2.gz JTQYPWQOSOIAKO-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001200507742 1369382592 /nfs/dbraw/zinc/38/25/92/1369382592.db2.gz QECHICHYMXFBCJ-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200507895 1369383619 /nfs/dbraw/zinc/38/36/19/1369383619.db2.gz UCYJWQIASWDHOB-GOSISDBHSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001113571373 1369497342 /nfs/dbraw/zinc/49/73/42/1369497342.db2.gz KIPDDYACAHXKFH-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201229708 1369499908 /nfs/dbraw/zinc/49/99/08/1369499908.db2.gz HFCORDHNRDAAAC-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001201314573 1369517304 /nfs/dbraw/zinc/51/73/04/1369517304.db2.gz YJFPBFQWFCJTIC-OAHLLOKOSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001201326886 1369520713 /nfs/dbraw/zinc/52/07/13/1369520713.db2.gz DNWQKIQLGJPFFR-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(OC3CC[NH+](C)CC3)cn2)c1 ZINC001201396250 1369536269 /nfs/dbraw/zinc/53/62/69/1369536269.db2.gz NDXITSFIDNZZON-UHFFFAOYSA-N 2 0 340.471 3.360 20 0 EGADRP C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325605978 1388010019 /nfs/dbraw/zinc/01/00/19/1388010019.db2.gz ILLRBDGEHIHWED-KCLUMXDGSA-N 2 0 329.532 3.359 20 0 EGADRP CCCCCC[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001113675006 1369560249 /nfs/dbraw/zinc/56/02/49/1369560249.db2.gz YMTSHNYFRRKTSF-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001201636777 1369594662 /nfs/dbraw/zinc/59/46/62/1369594662.db2.gz IRURPHZSIKPYNZ-FPOVZHCZSA-N 2 0 343.515 3.042 20 0 EGADRP Cc1cccc2sc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)nc21 ZINC001201649416 1369595812 /nfs/dbraw/zinc/59/58/12/1369595812.db2.gz SSRRYLNPYOOOHN-UHFFFAOYSA-N 2 0 339.468 3.495 20 0 EGADRP Cc1ccc2nc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)sc2c1 ZINC001201650847 1369597201 /nfs/dbraw/zinc/59/72/01/1369597201.db2.gz FOJIHWFNZWHJOA-UHFFFAOYSA-N 2 0 339.468 3.495 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(-c4cnco4)cc3)cc[nH+]2)CC1 ZINC001201665390 1369600445 /nfs/dbraw/zinc/60/04/45/1369600445.db2.gz FKJGLRDVKAVBAN-UHFFFAOYSA-N 2 0 335.411 3.232 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201754998 1369617189 /nfs/dbraw/zinc/61/71/89/1369617189.db2.gz QWSUHBNFOPBZNV-WOJBJXKFSA-N 2 0 331.504 3.185 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201794167 1369624962 /nfs/dbraw/zinc/62/49/62/1369624962.db2.gz UHSCASKZDSUHET-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201801744 1369626477 /nfs/dbraw/zinc/62/64/77/1369626477.db2.gz OPLINNFAQBSVQR-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201818103 1369628633 /nfs/dbraw/zinc/62/86/33/1369628633.db2.gz IXOIKIGXBYNFJU-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCCC(F)(F)F)C2 ZINC001202406079 1369763557 /nfs/dbraw/zinc/76/35/57/1369763557.db2.gz YSDSGJFTPORIBC-CVEARBPZSA-N 2 0 334.426 3.009 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001202472605 1369782053 /nfs/dbraw/zinc/78/20/53/1369782053.db2.gz ALFLGIFCBYOZSH-XLIONFOSSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1cc(N2CC[NH+](CCC3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC001202611032 1369823454 /nfs/dbraw/zinc/82/34/54/1369823454.db2.gz JLUDMWPULOTPQF-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CC(C)(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114286954 1369852795 /nfs/dbraw/zinc/85/27/95/1369852795.db2.gz BHRKWCITICHPSG-PIIMJCKOSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](CC4CCC4)CC3)C2)cc1 ZINC001202734573 1369872510 /nfs/dbraw/zinc/87/25/10/1369872510.db2.gz YQJRXKBUDCWSDF-UHFFFAOYSA-N 2 0 328.500 3.462 20 0 EGADRP CCC1(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC001202965635 1369938630 /nfs/dbraw/zinc/93/86/30/1369938630.db2.gz JFGXFNLTFQAAMK-NRFANRHFSA-N 2 0 328.500 3.401 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001203124879 1369990642 /nfs/dbraw/zinc/99/06/42/1369990642.db2.gz ZEFDIMHHBOEHBP-RTWAWAEBSA-N 2 0 336.483 3.129 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001203133484 1369993349 /nfs/dbraw/zinc/99/33/49/1369993349.db2.gz SGXHATGOJDYKLN-QZTJIDSGSA-N 2 0 340.471 3.011 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC001325755727 1388041856 /nfs/dbraw/zinc/04/18/56/1388041856.db2.gz GUGWNLORBAKEBO-BLLLJJGKSA-N 2 0 325.294 3.358 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001203159667 1370004981 /nfs/dbraw/zinc/00/49/81/1370004981.db2.gz SPDGLBHNCIKSII-SREVYHEPSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)C1CCCCC1 ZINC001203230325 1370032932 /nfs/dbraw/zinc/03/29/32/1370032932.db2.gz LKCPNNNITIWXIZ-MOPGFXCFSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203231438 1370033455 /nfs/dbraw/zinc/03/34/55/1370033455.db2.gz SKHMJEJGPKCQMX-OALUTQOASA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203233065 1370034528 /nfs/dbraw/zinc/03/45/28/1370034528.db2.gz ZRGKUPRWSKOHNT-ROUUACIJSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001203288295 1370063575 /nfs/dbraw/zinc/06/35/75/1370063575.db2.gz QPRLUVJFMRKBKJ-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325304 1370082733 /nfs/dbraw/zinc/08/27/33/1370082733.db2.gz LSXFLWKLRQRKGJ-DFOOCIKTSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001203407442 1370114918 /nfs/dbraw/zinc/11/49/18/1370114918.db2.gz KUGGXNVENIGPNX-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425099 1370120202 /nfs/dbraw/zinc/12/02/02/1370120202.db2.gz AFTORDFMHIGOPN-SJORKVTESA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001203431472 1370123375 /nfs/dbraw/zinc/12/33/75/1370123375.db2.gz JCVCXOQURBFPHA-YFHOEESVSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203577005 1370176634 /nfs/dbraw/zinc/17/66/34/1370176634.db2.gz MNVZKHUNIWCJIH-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203640948 1370197411 /nfs/dbraw/zinc/19/74/11/1370197411.db2.gz KYKXDAZZBKPCFQ-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203640883 1370197614 /nfs/dbraw/zinc/19/76/14/1370197614.db2.gz JVBASCUNGBYILF-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641168 1370198182 /nfs/dbraw/zinc/19/81/82/1370198182.db2.gz ORXBLIXZWVRBHL-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(C)c1C ZINC001203727609 1370237571 /nfs/dbraw/zinc/23/75/71/1370237571.db2.gz VFKRYGWBUDEFEX-UHFFFAOYSA-N 2 0 325.456 3.338 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203742054 1370244443 /nfs/dbraw/zinc/24/44/43/1370244443.db2.gz LGIGUYYWJGSXCJ-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203744028 1370245526 /nfs/dbraw/zinc/24/55/26/1370245526.db2.gz WSZAWUARBNOABU-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1OC(C)=O ZINC001203831796 1370282347 /nfs/dbraw/zinc/28/23/47/1370282347.db2.gz FNLQWKHPVYXTPI-UHFFFAOYSA-N 2 0 348.487 3.173 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203869657 1370294123 /nfs/dbraw/zinc/29/41/23/1370294123.db2.gz LAAZNTYDNYUDEU-PLNGDYQASA-N 2 0 335.536 3.189 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001203877574 1370297600 /nfs/dbraw/zinc/29/76/00/1370297600.db2.gz YAFOEUVRCGMUNY-PLNGDYQASA-N 2 0 335.536 3.189 20 0 EGADRP CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccc(C)c3)CC2)C1 ZINC001203891543 1370301509 /nfs/dbraw/zinc/30/15/09/1370301509.db2.gz UOLKQHSPAMMQHE-LJQANCHMSA-N 2 0 344.499 3.235 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904301 1370308597 /nfs/dbraw/zinc/30/85/97/1370308597.db2.gz RBQNLQPHHRSSIZ-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001203932325 1370319044 /nfs/dbraw/zinc/31/90/44/1370319044.db2.gz BQCJRCYYVCECFI-SFHVURJKSA-N 2 0 345.531 3.285 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH2+]CCC(C)C)CC2)o1 ZINC001204056058 1370361912 /nfs/dbraw/zinc/36/19/12/1370361912.db2.gz AMUVQKTWXXLMOC-UHFFFAOYSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450919 1370459208 /nfs/dbraw/zinc/45/92/08/1370459208.db2.gz TYZNBOWKYRTDDX-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536759 1370533765 /nfs/dbraw/zinc/53/37/65/1370533765.db2.gz GOBZFDKEWJJACE-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCOC(=O)c1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1 ZINC001204646008 1370536219 /nfs/dbraw/zinc/53/62/19/1370536219.db2.gz GKAUXZISPVUKJZ-UHFFFAOYSA-N 2 0 338.451 3.453 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231513 1388078105 /nfs/dbraw/zinc/07/81/05/1388078105.db2.gz NHSLYXFZZAJJMI-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115562755 1370562360 /nfs/dbraw/zinc/56/23/60/1370562360.db2.gz JCMVQDMYCDNWPI-GOSISDBHSA-N 2 0 335.536 3.236 20 0 EGADRP COc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc2c1OCC=C2 ZINC001204748076 1370564416 /nfs/dbraw/zinc/56/44/16/1370564416.db2.gz FOKMMKMRUKSAEX-UHFFFAOYSA-N 2 0 328.456 3.066 20 0 EGADRP Clc1cccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1Cl ZINC001204756697 1370567641 /nfs/dbraw/zinc/56/76/41/1370567641.db2.gz RWNVIYXWHHCKDQ-UHFFFAOYSA-N 2 0 328.287 3.115 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571676 1370573861 /nfs/dbraw/zinc/57/38/61/1370573861.db2.gz JYMINQUVIBWZKY-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)CCC1 ZINC001115571628 1370573919 /nfs/dbraw/zinc/57/39/19/1370573919.db2.gz HYCIFWGZXBNRNQ-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(NCC1([NH2+]CC2CC2)CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001115572999 1370575082 /nfs/dbraw/zinc/57/50/82/1370575082.db2.gz CQBUVVKVYRFURM-LJQANCHMSA-N 2 0 347.547 3.212 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1)[NH+](C)C ZINC001115592061 1370593301 /nfs/dbraw/zinc/59/33/01/1370593301.db2.gz QTEACUIGDVNMQP-GOSISDBHSA-N 2 0 335.536 3.236 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115596747 1370597574 /nfs/dbraw/zinc/59/75/74/1370597574.db2.gz URECHFIPZRLVRU-SFHVURJKSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1c(C(=O)NCC2([NH2+]CC(C)C)CCCCC2)ccc2c[nH+]cn21 ZINC001115609669 1370609285 /nfs/dbraw/zinc/60/92/85/1370609285.db2.gz CLPSFZSBYXNJDN-UHFFFAOYSA-N 2 0 342.487 3.321 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)C34CCC[NH+]3CCC4)CCCCC2)C1 ZINC001115614788 1370612847 /nfs/dbraw/zinc/61/28/47/1370612847.db2.gz QGYLAWYTVUQIGX-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001187276513 1388086051 /nfs/dbraw/zinc/08/60/51/1388086051.db2.gz MLGRSURSFDUNPG-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC(C)C)CCCCC2)C1 ZINC001115688026 1370670870 /nfs/dbraw/zinc/67/08/70/1370670870.db2.gz HOBAQOAIESYWQS-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692515 1370673746 /nfs/dbraw/zinc/67/37/46/1370673746.db2.gz SLGROTVXFVLZBO-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001115697770 1370679171 /nfs/dbraw/zinc/67/91/71/1370679171.db2.gz LNZIIOFMOLBPSK-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC001205220048 1370685498 /nfs/dbraw/zinc/68/54/98/1370685498.db2.gz JIXJXYZQHHUPGG-SFHVURJKSA-N 2 0 334.847 3.276 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccccc2OCC[NH+](C)C)cn1 ZINC001205239630 1370691988 /nfs/dbraw/zinc/69/19/88/1370691988.db2.gz NQPNHCDMQGDMBG-UHFFFAOYSA-N 2 0 343.471 3.020 20 0 EGADRP Cc1ccc(C)c2nc(Cl)c(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)cc12 ZINC001205241196 1370692385 /nfs/dbraw/zinc/69/23/85/1370692385.db2.gz ROPOUGYOMZERCZ-IBGZPJMESA-N 2 0 347.890 3.181 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1)[NH+](C)C ZINC001115715363 1370694438 /nfs/dbraw/zinc/69/44/38/1370694438.db2.gz GIZBBRDKJIKQFN-LJQANCHMSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1)[NH+](C)C ZINC001115715722 1370695100 /nfs/dbraw/zinc/69/51/00/1370695100.db2.gz TWHDLAYUYNFQPK-DAWZGUTISA-N 2 0 337.552 3.027 20 0 EGADRP c1cc2c(cccc2C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)[nH]1 ZINC001205262984 1370699807 /nfs/dbraw/zinc/69/98/07/1370699807.db2.gz HAYOQXGWOVMMTA-UHFFFAOYSA-N 2 0 349.482 3.019 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283479 1370705659 /nfs/dbraw/zinc/70/56/59/1370705659.db2.gz CRBLUNKSQHLMIB-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283741 1370705981 /nfs/dbraw/zinc/70/59/81/1370705981.db2.gz FGSBIHLIRYFKFF-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205290893 1370709507 /nfs/dbraw/zinc/70/95/07/1370709507.db2.gz PAZQXLJYBLGOBM-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729379 1370710832 /nfs/dbraw/zinc/71/08/32/1370710832.db2.gz CTRJDNXHUHGCSG-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1CC[N@H+](CCCc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC001205296293 1370711010 /nfs/dbraw/zinc/71/10/10/1370711010.db2.gz KVYBVBYFVDFRKG-HIFRSBDPSA-N 2 0 325.294 3.298 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1)CC(C)(C)C ZINC001115730513 1370712811 /nfs/dbraw/zinc/71/28/11/1370712811.db2.gz LWNSXAXPDKLDRK-FLIBITNWSA-N 2 0 343.943 3.126 20 0 EGADRP C[C@H](F)CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730544 1370712822 /nfs/dbraw/zinc/71/28/22/1370712822.db2.gz NGPSHBPMFJXFPM-INIZCTEOSA-N 2 0 343.531 3.121 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115730455 1370712953 /nfs/dbraw/zinc/71/29/53/1370712953.db2.gz JVCAPYDIOXUAPA-MJGOQNOKSA-N 2 0 349.563 3.173 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205317721 1370720247 /nfs/dbraw/zinc/72/02/47/1370720247.db2.gz PPYUFQJOFHTQEP-WMLDXEAASA-N 2 0 329.488 3.329 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115765899 1370750068 /nfs/dbraw/zinc/75/00/68/1370750068.db2.gz KYCGXIUISVVCFP-CHYADLBTSA-N 2 0 346.519 3.353 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115765884 1370750526 /nfs/dbraw/zinc/75/05/26/1370750526.db2.gz JZACLFHOEKFEHJ-QGZVFWFLSA-N 2 0 348.535 3.433 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483796 1370769704 /nfs/dbraw/zinc/76/97/04/1370769704.db2.gz SCFMKQLWLYASDH-PRPIBZDOSA-N 2 0 349.563 3.435 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001205539398 1370785248 /nfs/dbraw/zinc/78/52/48/1370785248.db2.gz YODWHSWZGWKUDM-FQEVSTJZSA-N 3 0 333.495 3.052 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(F)cccc2Br)CC1 ZINC001205559197 1370790800 /nfs/dbraw/zinc/79/08/00/1370790800.db2.gz OTTBVUSCNFHOKQ-AWEZNQCLSA-N 2 0 333.220 3.241 20 0 EGADRP CC(C)Oc1c(F)ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205592587 1370804007 /nfs/dbraw/zinc/80/40/07/1370804007.db2.gz WRTLQUVJWORYPF-KRWDZBQOSA-N 2 0 330.394 3.405 20 0 EGADRP C[C@H]1CC[N@H+](CCc2ccccc2Br)CC[C@H]1C[NH3+] ZINC001205600957 1370806262 /nfs/dbraw/zinc/80/62/62/1370806262.db2.gz COCOUMVVXARKFW-ZFWWWQNUSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccc(Oc3ncccn3)c2)CC[C@H]1C[NH3+] ZINC001205618217 1370813249 /nfs/dbraw/zinc/81/32/49/1370813249.db2.gz STDUYXHXNXGFJY-WBVHZDCISA-N 2 0 326.444 3.076 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC(C[NH2+]CC3CCC3)CC2)CCCCC1 ZINC001205759182 1370861288 /nfs/dbraw/zinc/86/12/88/1370861288.db2.gz KCSSYFTYVPGSEU-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(CN3CCC(F)(F)[C@@H](C[NH3+])C3)cc21 ZINC001205795986 1370874188 /nfs/dbraw/zinc/87/41/88/1370874188.db2.gz MQCIDRCKLRCLJG-INIZCTEOSA-N 2 0 335.442 3.104 20 0 EGADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCc1ccc(Br)cc1 ZINC001205902820 1370905137 /nfs/dbraw/zinc/90/51/37/1370905137.db2.gz LWKKRJGRWMIKOW-HIFRSBDPSA-N 2 0 325.294 3.441 20 0 EGADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCc1ccccc1Br ZINC001205901204 1370905493 /nfs/dbraw/zinc/90/54/93/1370905493.db2.gz BSSPAQMRRNGXAP-ZFWWWQNUSA-N 2 0 325.294 3.441 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c2c1 ZINC001205923215 1370911898 /nfs/dbraw/zinc/91/18/98/1370911898.db2.gz KZIBDZBIELWMCO-LSDHHAIUSA-N 2 0 328.456 3.416 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(Oc3ncccn3)c2)CCC[C@@H]1C[NH3+] ZINC001205995222 1370933503 /nfs/dbraw/zinc/93/35/03/1370933503.db2.gz NIRMDBFHPBATHH-DOTOQJQBSA-N 2 0 326.444 3.076 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC001206012619 1370938550 /nfs/dbraw/zinc/93/85/50/1370938550.db2.gz MZXHAMZOCOLECG-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206031746 1370944251 /nfs/dbraw/zinc/94/42/51/1370944251.db2.gz WDCZWMWGMSNDJM-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)n21 ZINC001206036695 1370944468 /nfs/dbraw/zinc/94/44/68/1370944468.db2.gz OCENMEPKWBGJDB-HUUCEWRRSA-N 2 0 332.517 3.253 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cn2)CCC[C@H]1C[NH3+] ZINC001206036566 1370945014 /nfs/dbraw/zinc/94/50/14/1370945014.db2.gz LLFRWLAQKRQSPB-MJGOQNOKSA-N 2 0 339.483 3.467 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c(F)c1Cl ZINC001206037524 1370946082 /nfs/dbraw/zinc/94/60/82/1370946082.db2.gz WAILOOXFTKLKKH-QWRGUYRKSA-N 2 0 332.822 3.434 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206056328 1370950191 /nfs/dbraw/zinc/95/01/91/1370950191.db2.gz BPQXGNZTJDHPGZ-UHFFFAOYSA-N 2 0 349.519 3.219 20 0 EGADRP COC(=O)c1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001116880628 1370994248 /nfs/dbraw/zinc/99/42/48/1370994248.db2.gz MOGRQLIGJOTCPS-IRXDYDNUSA-N 2 0 332.488 3.321 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1)[NH+](CC)CC ZINC001206246124 1371002900 /nfs/dbraw/zinc/00/29/00/1371002900.db2.gz RRWCCKVASWDXPI-LJQANCHMSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001206301816 1371015505 /nfs/dbraw/zinc/01/55/05/1371015505.db2.gz RQFXJBYRBUUZKN-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001206318251 1371020336 /nfs/dbraw/zinc/02/03/36/1371020336.db2.gz OKWFVMXEZNXYAU-GOSISDBHSA-N 2 0 334.414 3.306 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482080 1371068603 /nfs/dbraw/zinc/06/86/03/1371068603.db2.gz OMNMAVDFDYTLIF-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547542 1371089877 /nfs/dbraw/zinc/08/98/77/1371089877.db2.gz HVTQNJOMSVNVPS-FZZLMOMWSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccccc2Oc2cnccn2)C1 ZINC001206575831 1371098771 /nfs/dbraw/zinc/09/87/71/1371098771.db2.gz ZKSROBRMWDNZFQ-IBGZPJMESA-N 2 0 326.444 3.220 20 0 EGADRP CC(C)[N@H+](Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCC[NH2+]CC1 ZINC001206589940 1371101828 /nfs/dbraw/zinc/10/18/28/1371101828.db2.gz IZUXMCDQVXYPGS-OAHLLOKOSA-N 2 0 345.409 3.375 20 0 EGADRP COC(=O)c1cc(Cl)cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206598716 1371105232 /nfs/dbraw/zinc/10/52/32/1371105232.db2.gz LMDFLLIDXMKTIB-QGZVFWFLSA-N 2 0 338.879 3.479 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001206628788 1371113425 /nfs/dbraw/zinc/11/34/25/1371113425.db2.gz UUSVPPJTNZXPAL-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC[NH2+]C1 ZINC001118216337 1371148175 /nfs/dbraw/zinc/14/81/75/1371148175.db2.gz GHYWTOJRKMDTDS-JXFKEZNVSA-N 2 0 329.488 3.247 20 0 EGADRP CCOc1cc(O)cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001206755839 1371154923 /nfs/dbraw/zinc/15/49/23/1371154923.db2.gz SBDSMGBNCVDMJL-UHFFFAOYSA-N 2 0 340.467 3.283 20 0 EGADRP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCc1ccc(Br)cc1 ZINC001206761276 1371155853 /nfs/dbraw/zinc/15/58/53/1371155853.db2.gz VXDLEMBQNOUFGO-DZGCQCFKSA-N 2 0 325.294 3.441 20 0 EGADRP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206771720 1371160593 /nfs/dbraw/zinc/16/05/93/1371160593.db2.gz XKHOVBZHYOQCEV-AAEUAGOBSA-N 2 0 334.357 3.483 20 0 EGADRP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001206772207 1371160978 /nfs/dbraw/zinc/16/09/78/1371160978.db2.gz ZFKSJLXBBUWCHK-NWDGAFQWSA-N 2 0 336.277 3.490 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206808838 1371176055 /nfs/dbraw/zinc/17/60/55/1371176055.db2.gz KRGTXLKTQCWIOK-GJZGRUSLSA-N 2 0 328.456 3.416 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206884225 1371205170 /nfs/dbraw/zinc/20/51/70/1371205170.db2.gz BYUXGLHTFZFEAA-SREVYHEPSA-N 2 0 337.552 3.293 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206947756 1371239937 /nfs/dbraw/zinc/23/99/37/1371239937.db2.gz INLMHTAEFAEGBL-OSFIAYCASA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206949267 1371240863 /nfs/dbraw/zinc/24/08/63/1371240863.db2.gz WYGCZPDPZRRQOV-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP O=c1[nH]cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207012853 1371266829 /nfs/dbraw/zinc/26/68/29/1371266829.db2.gz ZEJKIRGEVUFORA-RTBURBONSA-N 2 0 337.467 3.131 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@H+](C)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001207289132 1371353072 /nfs/dbraw/zinc/35/30/72/1371353072.db2.gz ZRLSYRUTWHLVBN-LJQANCHMSA-N 2 0 341.540 3.296 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001207293788 1371354537 /nfs/dbraw/zinc/35/45/37/1371354537.db2.gz LJMXXKWVLLDJJB-SZPZYZBQSA-N 3 0 341.543 3.172 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2nccc3ccccc32)C1 ZINC001119510660 1371357664 /nfs/dbraw/zinc/35/76/64/1371357664.db2.gz WYJXXJDPLYELCT-HXUWFJFHSA-N 2 0 347.462 3.091 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001119527546 1371363033 /nfs/dbraw/zinc/36/30/33/1371363033.db2.gz OIFPGBCTBCWIIW-GOSISDBHSA-N 2 0 329.488 3.136 20 0 EGADRP CC1(C)C[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001207357594 1371372719 /nfs/dbraw/zinc/37/27/19/1371372719.db2.gz ASCPKSFSDQCXHE-AQNXPRMDSA-N 2 0 328.500 3.255 20 0 EGADRP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207399159 1371383654 /nfs/dbraw/zinc/38/36/54/1371383654.db2.gz FAGDERRDJRFANN-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP COc1cccc(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001207430465 1371393946 /nfs/dbraw/zinc/39/39/46/1371393946.db2.gz FOZIAZSHKMPEDL-NHCUHLMSSA-N 2 0 336.479 3.302 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001207479442 1371408786 /nfs/dbraw/zinc/40/87/86/1371408786.db2.gz IVSXOQFPZPGUIZ-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486892 1371410656 /nfs/dbraw/zinc/41/06/56/1371410656.db2.gz OSYMWJUHCYFJHZ-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001207488927 1371411483 /nfs/dbraw/zinc/41/14/83/1371411483.db2.gz SWDUGFVKHZVNAI-UHFFFAOYSA-N 2 0 326.484 3.339 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540708 1371430483 /nfs/dbraw/zinc/43/04/83/1371430483.db2.gz ARDCXADNWRGTKJ-BHIYHBOVSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617758 1371453191 /nfs/dbraw/zinc/45/31/91/1371453191.db2.gz YTQFRKDLMOXVLD-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207616633 1371453299 /nfs/dbraw/zinc/45/32/99/1371453299.db2.gz BZUVBYHFFNSMEI-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(NCC1([NH2+]CCCC2CCC2)CCCCC1)C12CC[NH+](CC1)C2 ZINC001120022127 1371459318 /nfs/dbraw/zinc/45/93/18/1371459318.db2.gz WROYCUJKRAOYIA-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120032465 1371462750 /nfs/dbraw/zinc/46/27/50/1371462750.db2.gz JUJLOWRYYZQZDW-AATRIKPKSA-N 2 0 337.552 3.483 20 0 EGADRP Cc1cccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CCCCC2)c1 ZINC001120208004 1371505271 /nfs/dbraw/zinc/50/52/71/1371505271.db2.gz QFVYHFUXWOXCHZ-UHFFFAOYSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208014847 1371568963 /nfs/dbraw/zinc/56/89/63/1371568963.db2.gz UHASKLWJFCJUDC-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459540 1371582886 /nfs/dbraw/zinc/58/28/86/1371582886.db2.gz NDACKADVZKAQGR-FPMVPNIMSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001120462280 1371584928 /nfs/dbraw/zinc/58/49/28/1371584928.db2.gz WAVCXDNEWRNIMO-WOJBJXKFSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001208113186 1371598274 /nfs/dbraw/zinc/59/82/74/1371598274.db2.gz DWVBFKBIXGFHNZ-UHFFFAOYSA-N 2 0 333.495 3.065 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208114447 1371599664 /nfs/dbraw/zinc/59/96/64/1371599664.db2.gz XJDRAUJRKFIHEJ-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208114186 1371599966 /nfs/dbraw/zinc/59/99/66/1371599966.db2.gz TVAYGWLJYRNDTM-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163119 1371613481 /nfs/dbraw/zinc/61/34/81/1371613481.db2.gz COMVHRPZMJZVSS-XXCOWLKOSA-N 2 0 335.536 3.044 20 0 EGADRP COC(C)(C)CCC[C@@H](C)CC[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001208216242 1371655337 /nfs/dbraw/zinc/65/53/37/1371655337.db2.gz FLCHXAXTTKQHIW-LJQANCHMSA-N 2 0 341.584 3.177 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001208453716 1371772582 /nfs/dbraw/zinc/77/25/82/1371772582.db2.gz NOGRKDKOETVLBO-SFHVURJKSA-N 2 0 335.536 3.188 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CC[NH+]3CCCC[C@H]3C2)cc1 ZINC001208589606 1371829690 /nfs/dbraw/zinc/82/96/90/1371829690.db2.gz WSICFPKZLPFHRQ-SFTDATJTSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208593443 1371832448 /nfs/dbraw/zinc/83/24/48/1371832448.db2.gz SHMOTFGCVDCILE-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208597997 1371834737 /nfs/dbraw/zinc/83/47/37/1371834737.db2.gz PFDQJRRPRMDYBJ-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837736 /nfs/dbraw/zinc/83/77/36/1371837736.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 2 0 347.572 3.378 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610011 1371839912 /nfs/dbraw/zinc/83/99/12/1371839912.db2.gz XYYBDTWCEQRMEE-NRFANRHFSA-N 3 0 341.543 3.316 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208609372 1371840292 /nfs/dbraw/zinc/84/02/92/1371840292.db2.gz JIOIFYLQKRJMAO-INIZCTEOSA-N 2 0 326.488 3.095 20 0 EGADRP COC(=O)[C@H]1CC[C@H](C[N@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001208634341 1371848480 /nfs/dbraw/zinc/84/84/80/1371848480.db2.gz NZJITXRGFURGQX-QAQDUYKDSA-N 2 0 336.520 3.305 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(CC)CC)C2 ZINC001121194327 1371886052 /nfs/dbraw/zinc/88/60/52/1371886052.db2.gz QGQFPWANMIOSRI-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208769950 1371890604 /nfs/dbraw/zinc/89/06/04/1371890604.db2.gz IIVSUYCXJANVLE-UHFFFAOYSA-N 2 0 349.538 3.498 20 0 EGADRP CC(C)[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001121340989 1371942525 /nfs/dbraw/zinc/94/25/25/1371942525.db2.gz RHBYINJCBXEEKW-UHFFFAOYSA-N 2 0 335.536 3.065 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919115 1371944290 /nfs/dbraw/zinc/94/42/90/1371944290.db2.gz OXSNRHWQEGMPKF-IPLHWJFFSA-N 2 0 335.536 3.188 20 0 EGADRP OC[C@@]1(F)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208931525 1371950075 /nfs/dbraw/zinc/95/00/75/1371950075.db2.gz KYYDFEKLRCKZDM-WOJBJXKFSA-N 2 0 334.479 3.085 20 0 EGADRP O[C@]1(CF)CCCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931247 1371950870 /nfs/dbraw/zinc/95/08/70/1371950870.db2.gz IPTKQWIKIONRDC-PMACEKPBSA-N 2 0 334.479 3.085 20 0 EGADRP C[N@@H+]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208946352 1371959449 /nfs/dbraw/zinc/95/94/49/1371959449.db2.gz UXPVCNKPJVOUBA-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC001208949981 1371961201 /nfs/dbraw/zinc/96/12/01/1371961201.db2.gz ZREDQVWLNWBUSH-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP C[N@@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208949634 1371961392 /nfs/dbraw/zinc/96/13/92/1371961392.db2.gz MNFCFMYZJAKXSL-FYYLOGMGSA-N 2 0 349.522 3.497 20 0 EGADRP COCCC[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001209055309 1371985843 /nfs/dbraw/zinc/98/58/43/1371985843.db2.gz UYRWRTALIKYYGS-UHFFFAOYSA-N 2 0 346.515 3.169 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142210 1372012143 /nfs/dbraw/zinc/01/21/43/1372012143.db2.gz IXKWNUAFDZBTGB-YSNLUETFSA-N 2 0 335.536 3.042 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCCc4cccnc4)C[C@H]3C2)cc1 ZINC001209174980 1372024976 /nfs/dbraw/zinc/02/49/76/1372024976.db2.gz WRPLSZSHKLSTDA-VXKWHMMOSA-N 2 0 335.495 3.386 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209206087 1372038170 /nfs/dbraw/zinc/03/81/70/1372038170.db2.gz XDYQDSQLWQTBOH-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC001121664094 1372039459 /nfs/dbraw/zinc/03/94/59/1372039459.db2.gz ZJFXKNJRQUIYOX-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001209302521 1372063283 /nfs/dbraw/zinc/06/32/83/1372063283.db2.gz GMCUTLHMEOBZKN-MOPGFXCFSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001209324271 1372069952 /nfs/dbraw/zinc/06/99/52/1372069952.db2.gz PEQDEOFPLUJREW-FQEVSTJZSA-N 2 0 345.531 3.232 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2)[NH+](CC)CC ZINC001121761450 1372073360 /nfs/dbraw/zinc/07/33/60/1372073360.db2.gz LXINNQGEXJGLDW-WZXTXQKWSA-N 2 0 335.536 3.090 20 0 EGADRP C[N@H+](CCCCCNC(=O)OC(C)(C)C)CCC[NH+]1CCCC1 ZINC001209374111 1372081679 /nfs/dbraw/zinc/08/16/79/1372081679.db2.gz XGNGGFVWWFLLPQ-UHFFFAOYSA-N 2 0 327.513 3.099 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC001209392287 1372088644 /nfs/dbraw/zinc/08/86/44/1372088644.db2.gz YOXAFBWYMJXNIR-ZZEDZQHJSA-N 2 0 328.500 3.254 20 0 EGADRP COC1CCC(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001209395911 1372090065 /nfs/dbraw/zinc/09/00/65/1372090065.db2.gz OFYCMTWFYGWWQE-OMYXNUHHSA-N 2 0 328.500 3.255 20 0 EGADRP C[C@H]1CN(CCC[NH+]2CCCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001209448146 1372108434 /nfs/dbraw/zinc/10/84/34/1372108434.db2.gz NWXXPFWQWLBTCR-KRWDZBQOSA-N 2 0 339.524 3.051 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001209484299 1372118645 /nfs/dbraw/zinc/11/86/45/1372118645.db2.gz GLWGTQFFRAIQNP-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1n[nH]cc1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001209554825 1372135904 /nfs/dbraw/zinc/13/59/04/1372135904.db2.gz XVGYOZZKKUCHOK-SFHVURJKSA-N 2 0 328.460 3.188 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585167 1372143908 /nfs/dbraw/zinc/14/39/08/1372143908.db2.gz HEYRNNKSZTZOGG-RPSDLQHZSA-N 2 0 337.552 3.146 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209614445 1372151693 /nfs/dbraw/zinc/15/16/93/1372151693.db2.gz OZVRGELEXJLCEA-ROUUACIJSA-N 2 0 325.541 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1)[NH+](CC)CC ZINC001209615980 1372152305 /nfs/dbraw/zinc/15/23/05/1372152305.db2.gz XXNZHYATLHHHGG-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)CC(C)(C)C ZINC001209688542 1372170863 /nfs/dbraw/zinc/17/08/63/1372170863.db2.gz DBLVQJOTIWUQID-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209691752 1372171270 /nfs/dbraw/zinc/17/12/70/1372171270.db2.gz IKMFVLWAHDDDLI-UHFFFAOYSA-N 2 0 346.494 3.157 20 0 EGADRP C[N@H+](Cc1ccc(Cl)cc1)C1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209732523 1372179302 /nfs/dbraw/zinc/17/93/02/1372179302.db2.gz IDOPFQWDTGIOOZ-UHFFFAOYSA-N 2 0 344.890 3.244 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C2)cs1 ZINC001187921311 1388189993 /nfs/dbraw/zinc/18/99/93/1388189993.db2.gz FFBPAFWQXKJIFW-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)C(C)C ZINC001210189897 1372291347 /nfs/dbraw/zinc/29/13/47/1372291347.db2.gz OIFJPTZQOLUBJZ-WOJBJXKFSA-N 2 0 349.563 3.434 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[NH+](CC)CC)C2)cc1 ZINC001210219033 1372296491 /nfs/dbraw/zinc/29/64/91/1372296491.db2.gz SCZOETGLGNRZNE-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)(C)c1ccc(N)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210266831 1372310139 /nfs/dbraw/zinc/31/01/39/1372310139.db2.gz RAFUPYADEFQHSA-UHFFFAOYSA-N 2 0 325.460 3.115 20 0 EGADRP c1csc(-c2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)n1 ZINC001210268785 1372311117 /nfs/dbraw/zinc/31/11/17/1372311117.db2.gz HIVCYSOUPHLPLP-UHFFFAOYSA-N 2 0 337.452 3.358 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001210284638 1372314558 /nfs/dbraw/zinc/31/45/58/1372314558.db2.gz WWFUNDLZQVFSOE-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001210433562 1372352875 /nfs/dbraw/zinc/35/28/75/1372352875.db2.gz SEWOMWWFCCUVMF-WSTZPKSXSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210744413 1372417626 /nfs/dbraw/zinc/41/76/26/1372417626.db2.gz POCROPIKCPQWDY-UYAOXDASSA-N 2 0 345.531 3.369 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094753 1372484735 /nfs/dbraw/zinc/48/47/35/1372484735.db2.gz OUPZAPAFWJVRQH-XOIGSVRCSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240584 1372509404 /nfs/dbraw/zinc/50/94/04/1372509404.db2.gz NHQZOOHLCDAPAM-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371167 1372542391 /nfs/dbraw/zinc/54/23/91/1372542391.db2.gz LBSINRORLUJDPY-LZQZEXGQSA-N 2 0 349.494 3.054 20 0 EGADRP CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211675109 1372601263 /nfs/dbraw/zinc/60/12/63/1372601263.db2.gz MKFYHFOXIGXILO-ZCNNSNEGSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)(C)c1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)cc1 ZINC001212320569 1372685527 /nfs/dbraw/zinc/68/55/27/1372685527.db2.gz PTTVLPANEMXRJK-UHFFFAOYSA-N 2 0 328.460 3.123 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001212335560 1372689350 /nfs/dbraw/zinc/68/93/50/1372689350.db2.gz DTQIGORIJVNDQH-IBGZPJMESA-N 2 0 343.475 3.030 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c(C(C)(C)C)c3)nc2)CC1 ZINC001213160996 1372850845 /nfs/dbraw/zinc/85/08/45/1372850845.db2.gz XGTZDELTHALYGF-UHFFFAOYSA-N 2 0 325.460 3.270 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214597168 1373086663 /nfs/dbraw/zinc/08/66/63/1373086663.db2.gz FNYIYTKWHIAUHZ-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214634140 1373092840 /nfs/dbraw/zinc/09/28/40/1373092840.db2.gz COIPXPQSSLRNTJ-XXCOWLKOSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(NCC[NH2+]CCC1=CCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356459 1373117826 /nfs/dbraw/zinc/11/78/26/1373117826.db2.gz DAMSGMXCQNGGJE-IBGZPJMESA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356464 1373118202 /nfs/dbraw/zinc/11/82/02/1373118202.db2.gz DCYWUAHIPRQFGF-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP O=C(NCC[NH2+]CCCC1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356870 1373119047 /nfs/dbraw/zinc/11/90/47/1373119047.db2.gz QIYGCUYBXZJHKN-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001188106624 1388243251 /nfs/dbraw/zinc/24/32/51/1388243251.db2.gz OZUNKCVVXRHEJO-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214947679 1373146433 /nfs/dbraw/zinc/14/64/33/1373146433.db2.gz CUZHUDPENMEQEL-ASIGSXEYSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001215004303 1373154632 /nfs/dbraw/zinc/15/46/32/1373154632.db2.gz ZJOHVVYBJQLCQW-ZIFCJYIRSA-N 2 0 345.531 3.223 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001215973061 1373252652 /nfs/dbraw/zinc/25/26/52/1373252652.db2.gz OBPZHMTWWNFRPY-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001215972943 1373252717 /nfs/dbraw/zinc/25/27/17/1373252717.db2.gz GIHCDSALHIPWCY-UYAOXDASSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001216173828 1373274541 /nfs/dbraw/zinc/27/45/41/1373274541.db2.gz GOYYMYYTFANBMI-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001216490920 1373311688 /nfs/dbraw/zinc/31/16/88/1373311688.db2.gz WCUKXGADPMJYKK-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216774008 1373341285 /nfs/dbraw/zinc/34/12/85/1373341285.db2.gz NWWMYFIIKLGLJN-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001129358246 1373374616 /nfs/dbraw/zinc/37/46/16/1373374616.db2.gz REMVWHNIBZJNEV-INIZCTEOSA-N 2 0 331.504 3.061 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189317 1373471836 /nfs/dbraw/zinc/47/18/36/1373471836.db2.gz NVOLXKFEMRXNSZ-QUCCMNQESA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001130303574 1373488092 /nfs/dbraw/zinc/48/80/92/1373488092.db2.gz DKKASSUWKTVKHL-LPHOPBHVSA-N 2 0 345.531 3.235 20 0 EGADRP Clc1ccc([C@@H]2C[C@@H]2c2nnc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1 ZINC001217756858 1373499061 /nfs/dbraw/zinc/49/90/61/1373499061.db2.gz AOHSXEWGFAIXQL-HOTGVXAUSA-N 2 0 346.862 3.083 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CCC[NH2+]C[C@H]4F)cc32)CC1 ZINC001217947685 1373516356 /nfs/dbraw/zinc/51/63/56/1373516356.db2.gz JIGHXVYUJZJRPU-UYAOXDASSA-N 2 0 345.462 3.446 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001130424824 1373532971 /nfs/dbraw/zinc/53/29/71/1373532971.db2.gz CTMXIYUHDITEGM-MRXNPFEDSA-N 2 0 341.499 3.337 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]CCC2CCCCCC2)ccc2c[nH+]cn21 ZINC001130658488 1373576173 /nfs/dbraw/zinc/57/61/73/1373576173.db2.gz AEAOGENXDOPDSY-UHFFFAOYSA-N 2 0 342.487 3.323 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1)Cc1ccccc1 ZINC001218996685 1373676732 /nfs/dbraw/zinc/67/67/32/1373676732.db2.gz MQXJWNVQZNTONI-LJQANCHMSA-N 2 0 337.467 3.224 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC001218997679 1373676757 /nfs/dbraw/zinc/67/67/57/1373676757.db2.gz VVLDOKVLNOIZTL-GOSISDBHSA-N 2 0 349.478 3.023 20 0 EGADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001218996699 1373676800 /nfs/dbraw/zinc/67/68/00/1373676800.db2.gz MWXXOESBIDTKEW-SXLOBPIMSA-N 2 0 335.451 3.053 20 0 EGADRP CC(C)c1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(C(F)(F)F)c1 ZINC001219268501 1373697584 /nfs/dbraw/zinc/69/75/84/1373697584.db2.gz NAKQENOGAOYXOV-ZDUSSCGKSA-N 2 0 331.382 3.224 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CCCCC2)c(C)c1 ZINC001131799801 1373809394 /nfs/dbraw/zinc/80/93/94/1373809394.db2.gz WDCUJWRKXLPFCP-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)CC1 ZINC001221962812 1373809449 /nfs/dbraw/zinc/80/94/49/1373809449.db2.gz XXGKUQZAJVYBKE-NTFDOXNWSA-N 2 0 349.563 3.077 20 0 EGADRP Clc1cccc(Cl)c1CC[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222400833 1373837298 /nfs/dbraw/zinc/83/72/98/1373837298.db2.gz JRDNCJZHQGZZIV-UHFFFAOYSA-N 2 0 343.298 3.238 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001188346353 1388294207 /nfs/dbraw/zinc/29/42/07/1388294207.db2.gz JUGSOSKYXMHOPF-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1 ZINC001326760334 1388301525 /nfs/dbraw/zinc/30/15/25/1388301525.db2.gz PSRGTVZKUVUKQU-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223928391 1375047805 /nfs/dbraw/zinc/04/78/05/1375047805.db2.gz BQLCKNNBJQCQFV-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]cn2)C[N@@H+]1CCCC(C)(C)C ZINC001132090335 1375140446 /nfs/dbraw/zinc/14/04/46/1375140446.db2.gz GNCVXDJGRAOBCF-RDJZCZTQSA-N 2 0 334.508 3.138 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132106794 1375151352 /nfs/dbraw/zinc/15/13/52/1375151352.db2.gz VKDWQEXYDWZUSW-MJGOQNOKSA-N 2 0 347.547 3.330 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132152512 1375172897 /nfs/dbraw/zinc/17/28/97/1375172897.db2.gz DICBRGQKYLAUBE-AEFFLSMTSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132154381 1375174002 /nfs/dbraw/zinc/17/40/02/1375174002.db2.gz ZWKJMJPNUSJNMG-FUHWJXTLSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CC1CCC1 ZINC001132210320 1375211640 /nfs/dbraw/zinc/21/16/40/1375211640.db2.gz GGOHFNHWYUGFAV-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211016 1375211697 /nfs/dbraw/zinc/21/16/97/1375211697.db2.gz KZACZZHGDLFKGI-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297432 1375234697 /nfs/dbraw/zinc/23/46/97/1375234697.db2.gz VLVRFNXZZXNGEL-UIJPIBLASA-N 2 0 347.547 3.092 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297431 1375235274 /nfs/dbraw/zinc/23/52/74/1375235274.db2.gz VLVRFNXZZXNGEL-RQFBSITCSA-N 2 0 347.547 3.092 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132266678 1375255816 /nfs/dbraw/zinc/25/58/16/1375255816.db2.gz YODQZOGITAZYRV-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132266676 1375256056 /nfs/dbraw/zinc/25/60/56/1375256056.db2.gz YODQZOGITAZYRV-MOPGFXCFSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC1CCC2(CC2)CC1 ZINC001132270957 1375258894 /nfs/dbraw/zinc/25/88/94/1375258894.db2.gz XXCXCBXKQCTLHZ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@H]1C ZINC001132330209 1375309287 /nfs/dbraw/zinc/30/92/87/1375309287.db2.gz CHGZMWNJDOIMLM-XXCOWLKOSA-N 2 0 346.519 3.332 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132392697 1375348216 /nfs/dbraw/zinc/34/82/16/1375348216.db2.gz OSFNJNWSUJXSDG-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132409646 1375358423 /nfs/dbraw/zinc/35/84/23/1375358423.db2.gz CIIJJGSHRLWEJL-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001227224436 1375409036 /nfs/dbraw/zinc/40/90/36/1375409036.db2.gz GMAWNXHUIALIFH-GUDVDZBRSA-N 2 0 335.536 3.090 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001227389989 1375425014 /nfs/dbraw/zinc/42/50/14/1375425014.db2.gz KRZHWGVECXJMIR-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132517773 1375435916 /nfs/dbraw/zinc/43/59/16/1375435916.db2.gz GIVFKOURAQEHMK-PKOBYXMFSA-N 2 0 335.536 3.186 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519475 1375437697 /nfs/dbraw/zinc/43/76/97/1375437697.db2.gz ZJRDHWWFOAVEAD-XOIGSVRCSA-N 2 0 335.536 3.188 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521236 1375438427 /nfs/dbraw/zinc/43/84/27/1375438427.db2.gz ABRPLADUWGUCGW-XLIONFOSSA-N 2 0 345.531 3.058 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCC1CCCC1 ZINC001132524350 1375440764 /nfs/dbraw/zinc/44/07/64/1375440764.db2.gz GFFOENONXDZFIU-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525661 1375441943 /nfs/dbraw/zinc/44/19/43/1375441943.db2.gz TVCGAQMTHVXPDL-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CCC1CC1 ZINC001132549553 1375455685 /nfs/dbraw/zinc/45/56/85/1375455685.db2.gz UVBQXOGODWJPOF-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)CCCCC1 ZINC001227703329 1375463614 /nfs/dbraw/zinc/46/36/14/1375463614.db2.gz FNRJOTANZWZUKI-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227750512 1375471294 /nfs/dbraw/zinc/47/12/94/1375471294.db2.gz IXJZVWSKJQBAHA-BRWVUGGUSA-N 2 0 341.515 3.016 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227807840 1375477518 /nfs/dbraw/zinc/47/75/18/1375477518.db2.gz YORNEOZERWGHGI-QGZVFWFLSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001227986239 1375498721 /nfs/dbraw/zinc/49/87/21/1375498721.db2.gz BPGCZKFVFWJSER-RTBURBONSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C)c1cccc(F)c1 ZINC001228254628 1375534631 /nfs/dbraw/zinc/53/46/31/1375534631.db2.gz CXTMWTQWOGTGJF-KFKAGJAMSA-N 2 0 349.494 3.246 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001132738029 1375538503 /nfs/dbraw/zinc/53/85/03/1375538503.db2.gz UFARXHCEDPZLRO-FQEVSTJZSA-N 2 0 345.531 3.138 20 0 EGADRP CC(C)(C)CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791262 1375567053 /nfs/dbraw/zinc/56/70/53/1375567053.db2.gz WAPAXWWJGJGZJF-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559156 1375598625 /nfs/dbraw/zinc/59/86/25/1375598625.db2.gz MBWTXIWQECFCSE-KURKYZTESA-N 2 0 325.541 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001132936899 1375657074 /nfs/dbraw/zinc/65/70/74/1375657074.db2.gz FEZCLTHVYWOCFE-IEBWSBKVSA-N 2 0 349.563 3.291 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132938623 1375659306 /nfs/dbraw/zinc/65/93/06/1375659306.db2.gz WODKGNKVJQGUIB-WMZOPIPTSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001228801733 1375682237 /nfs/dbraw/zinc/68/22/37/1375682237.db2.gz WONMDOMLAFLIPX-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904906 1375711527 /nfs/dbraw/zinc/71/15/27/1375711527.db2.gz YNAYEIGNPNKIQX-LJQANCHMSA-N 2 0 349.494 3.199 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133072048 1375758548 /nfs/dbraw/zinc/75/85/48/1375758548.db2.gz DONSXIXPLCONJG-JNVNVXKGSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122485 1375787784 /nfs/dbraw/zinc/78/77/84/1375787784.db2.gz RNJJPMGNFYNVJR-QZTJIDSGSA-N 2 0 339.568 3.085 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001229462803 1375840592 /nfs/dbraw/zinc/84/05/92/1375840592.db2.gz SRAMECGSOXFTKO-AATRIKPKSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1F ZINC001229495620 1375846623 /nfs/dbraw/zinc/84/66/23/1375846623.db2.gz HNXMKXKUMDGXDB-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001133262849 1375878809 /nfs/dbraw/zinc/87/88/09/1375878809.db2.gz MQSPFADYJMDROS-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133274863 1375890365 /nfs/dbraw/zinc/89/03/65/1375890365.db2.gz NJBNIEGKZSOUOC-WARJXXDVSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133337426 1375930945 /nfs/dbraw/zinc/93/09/45/1375930945.db2.gz NPDFSTJWASCHLY-IKLBINMZSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230285163 1375984655 /nfs/dbraw/zinc/98/46/55/1375984655.db2.gz PTJMXNLQZHTNOH-ONEGZZNKSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230355258 1376006892 /nfs/dbraw/zinc/00/68/92/1376006892.db2.gz VRXSRFLVHMUIBL-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC001230591778 1376090679 /nfs/dbraw/zinc/09/06/79/1376090679.db2.gz JERURRHUMAZEPC-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592002 1376090824 /nfs/dbraw/zinc/09/08/24/1376090824.db2.gz OXJIFPBDAXFHSO-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21)[NH+](CC)CC ZINC001133683941 1376153422 /nfs/dbraw/zinc/15/34/22/1376153422.db2.gz AWTMMHLGVOCTEQ-MOPGFXCFSA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)[NH+](CC)CC ZINC001133689763 1376157855 /nfs/dbraw/zinc/15/78/55/1376157855.db2.gz BWEWCMHQBSSIOY-JXFKEZNVSA-N 2 0 345.531 3.063 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccc2ccccc2c1 ZINC001133834449 1376223587 /nfs/dbraw/zinc/22/35/87/1376223587.db2.gz YEOYDJKXZGHMAT-IRXDYDNUSA-N 2 0 339.483 3.091 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@@]1(O)C(F)(F)F ZINC001232012269 1376382057 /nfs/dbraw/zinc/38/20/57/1376382057.db2.gz XXUCKOKAKDZHQE-ABAIWWIYSA-N 2 0 327.350 3.088 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001232143325 1376407711 /nfs/dbraw/zinc/40/77/11/1376407711.db2.gz BATHVPZEQMEZRC-NRFANRHFSA-N 2 0 341.474 3.376 20 0 EGADRP CN(Cc1cnc2ccccn12)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232143828 1376408274 /nfs/dbraw/zinc/40/82/74/1376408274.db2.gz DAKVWXCFUAWKKU-UHFFFAOYSA-N 2 0 326.419 3.167 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(Oc3ccncc3)CC2)c1 ZINC001232144981 1376409221 /nfs/dbraw/zinc/40/92/21/1376409221.db2.gz QKRRTYHFELNCII-UHFFFAOYSA-N 2 0 343.446 3.326 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(OCc4ccccc4)no3)C2)CC1 ZINC001232452791 1376462485 /nfs/dbraw/zinc/46/24/85/1376462485.db2.gz NWGAWBWQYMJLAF-UHFFFAOYSA-N 2 0 341.455 3.171 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccccc1NC ZINC001232672978 1376498924 /nfs/dbraw/zinc/49/89/24/1376498924.db2.gz OCLNHNFDRJNGOT-UHFFFAOYSA-N 2 0 334.552 3.214 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1sccc1C[NH+](C)C ZINC001134518661 1376574020 /nfs/dbraw/zinc/57/40/20/1376574020.db2.gz GFFKISAVLXZRAB-KBPBESRZSA-N 2 0 337.533 3.096 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134521104 1376575588 /nfs/dbraw/zinc/57/55/88/1376575588.db2.gz WERQRDPLCXRPNF-HUUCEWRRSA-N 2 0 337.533 3.262 20 0 EGADRP Cc1cccc(-c2ccc(C[N@H+](C)CCN3CC[NH+](C)CC3)cc2)c1 ZINC001233226220 1376591729 /nfs/dbraw/zinc/59/17/29/1376591729.db2.gz XXVHBQRHESXSGT-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP Cc1ccc(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1O ZINC001233228632 1376592226 /nfs/dbraw/zinc/59/22/26/1376592226.db2.gz FIGJNBBXCYCSFU-HXUWFJFHSA-N 2 0 332.488 3.023 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CCCC1CCCC1 ZINC001134612369 1376624366 /nfs/dbraw/zinc/62/43/66/1376624366.db2.gz LREWMWBJVQSKIR-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730372 1376682955 /nfs/dbraw/zinc/68/29/55/1376682955.db2.gz VSIIXLSEVRPYST-KAGICYHLSA-N 2 0 349.563 3.482 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001134773152 1376713340 /nfs/dbraw/zinc/71/33/40/1376713340.db2.gz MFGWNEXADFEUOV-ZIAGYGMSSA-N 2 0 339.549 3.160 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858789 1376758529 /nfs/dbraw/zinc/75/85/29/1376758529.db2.gz YSUYZWOQSAFTEM-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP c1ccc(C(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c2ccccc2)cc1 ZINC001235035170 1376832400 /nfs/dbraw/zinc/83/24/00/1376832400.db2.gz CGNQYUDZLAHTQC-IFMALSPDSA-N 2 0 336.479 3.129 20 0 EGADRP c1ccc2c(c1)oc1ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc12 ZINC001235035237 1376832656 /nfs/dbraw/zinc/83/26/56/1376832656.db2.gz DTBTVQBDCWNOSB-IIBYNOLFSA-N 2 0 336.435 3.396 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH2+]CC1=CCCCC1 ZINC001134994506 1376833983 /nfs/dbraw/zinc/83/39/83/1376833983.db2.gz RWPBRBDRBUHAEJ-CVEARBPZSA-N 2 0 340.471 3.321 20 0 EGADRP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235043781 1376840916 /nfs/dbraw/zinc/84/09/16/1376840916.db2.gz HEFSDKVTOYFGEM-LJQANCHMSA-N 2 0 348.560 3.027 20 0 EGADRP Clc1cc2[nH]cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235430366 1376872667 /nfs/dbraw/zinc/87/26/67/1376872667.db2.gz WVZRHCZMVOIULU-KGLIPLIRSA-N 2 0 332.879 3.428 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076936 1376881605 /nfs/dbraw/zinc/88/16/05/1376881605.db2.gz JGCRCPJMLXDDNS-SJORKVTESA-N 2 0 325.541 3.314 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081501 1376884821 /nfs/dbraw/zinc/88/48/21/1376884821.db2.gz NIDNVOPESWRCBM-YQJUVHNHSA-N 2 0 337.552 3.480 20 0 EGADRP CC(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101317 1376897978 /nfs/dbraw/zinc/89/79/78/1376897978.db2.gz KTNZJVPEUVUOOO-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)C[C@H]1CN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001235878769 1376908790 /nfs/dbraw/zinc/90/87/90/1376908790.db2.gz OXMYLWVNYNRYKA-RTWAWAEBSA-N 2 0 329.532 3.219 20 0 EGADRP COCC[N@H+](Cc1c(C)cc(OC(C)C)cc1C)C1CC[NH2+]CC1 ZINC001235942197 1376920013 /nfs/dbraw/zinc/92/00/13/1376920013.db2.gz BXRPRHRPYHRRTR-UHFFFAOYSA-N 2 0 334.504 3.291 20 0 EGADRP c1ccc(CN(C[C@H]2CC[NH2+]2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235947340 1376921957 /nfs/dbraw/zinc/92/19/57/1376921957.db2.gz AGTDUCWCLFAOFL-FGZHOGPDSA-N 2 0 335.495 3.125 20 0 EGADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccccc3CCc3ccccc3)C2)C1 ZINC001236077719 1376932576 /nfs/dbraw/zinc/93/25/76/1376932576.db2.gz LHTYFJGCVSDOPG-QHCPKHFHSA-N 2 0 349.522 3.079 20 0 EGADRP Cc1ccc(-c2ccc(C[NH+]3CCC(N4CC[NH2+]CC4)CC3)cc2)o1 ZINC001236128981 1376934227 /nfs/dbraw/zinc/93/42/27/1376934227.db2.gz SQMQVANPSTVIFZ-UHFFFAOYSA-N 2 0 339.483 3.125 20 0 EGADRP Cc1csc2sc(C[NH+]3CCC(N4CC[NH2+]CC4)CC3)c(C)c12 ZINC001236128987 1376934501 /nfs/dbraw/zinc/93/45/01/1376934501.db2.gz SZVVWEGBNLCPMS-UHFFFAOYSA-N 2 0 349.569 3.449 20 0 EGADRP Fc1cccc(CN(CC2CC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)c1 ZINC001236389691 1376952123 /nfs/dbraw/zinc/95/21/23/1376952123.db2.gz CDYIMCQPRJVQER-FQEVSTJZSA-N 2 0 345.506 3.160 20 0 EGADRP C[NH+](C)CCOc1ccc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC001236652140 1376958044 /nfs/dbraw/zinc/95/80/44/1376958044.db2.gz LBGKFDCVJZKQEY-FQEVSTJZSA-N 2 0 345.531 3.124 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1occc1C[NH+](C)C ZINC001135308040 1377029090 /nfs/dbraw/zinc/02/90/90/1377029090.db2.gz NEAMRAQZWCXSDB-HOTGVXAUSA-N 2 0 343.471 3.028 20 0 EGADRP Cc1cccc(CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135314736 1377033528 /nfs/dbraw/zinc/03/35/28/1377033528.db2.gz GGWAIRGIOBHKJK-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1)NC(=O)CCC[NH+](C)C ZINC001135314885 1377033873 /nfs/dbraw/zinc/03/38/73/1377033873.db2.gz IKNOISDDYRQASC-HUUCEWRRSA-N 2 0 347.494 3.027 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135317078 1377034394 /nfs/dbraw/zinc/03/43/94/1377034394.db2.gz WSVKFXGMZIIXMZ-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccccc1C1CC1 ZINC001135317378 1377034707 /nfs/dbraw/zinc/03/47/07/1377034707.db2.gz YGFSAJVJKAXADN-SJORKVTESA-N 2 0 345.531 3.279 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001135317060 1377034782 /nfs/dbraw/zinc/03/47/82/1377034782.db2.gz WMRBONARNJADMQ-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246158230 1377050327 /nfs/dbraw/zinc/05/03/27/1377050327.db2.gz UGGONCMKTCUBIQ-NJDAHSKKSA-N 2 0 330.516 3.392 20 0 EGADRP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246297221 1377051273 /nfs/dbraw/zinc/05/12/73/1377051273.db2.gz VHLZXQTUXRTJGR-ROUUACIJSA-N 2 0 337.552 3.075 20 0 EGADRP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@H]2CC[C@H](C)[NH2+]C2)C3)c1 ZINC001246727876 1377053382 /nfs/dbraw/zinc/05/33/82/1377053382.db2.gz WYUSVMRGPHSATO-NRDMVMEKSA-N 2 0 343.515 3.149 20 0 EGADRP Fc1ccccc1CN([C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246937806 1377055757 /nfs/dbraw/zinc/05/57/57/1377055757.db2.gz NZEMPUAYOAEYJI-ZWKOTPCHSA-N 2 0 331.479 3.054 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001135437217 1377097175 /nfs/dbraw/zinc/09/71/75/1377097175.db2.gz QMSSYXLBYQIPCO-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cc(C)sc1C ZINC001135440605 1377098687 /nfs/dbraw/zinc/09/86/87/1377098687.db2.gz PNBRMPPDTXDNCJ-UHFFFAOYSA-N 2 0 339.549 3.083 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC001254511337 1377105232 /nfs/dbraw/zinc/10/52/32/1377105232.db2.gz YZCJICQMUVJPBQ-MRXNPFEDSA-N 2 0 336.907 3.462 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001254530208 1377107123 /nfs/dbraw/zinc/10/71/23/1377107123.db2.gz VBROFOVGCVPRLJ-FPOVZHCZSA-N 2 0 327.516 3.166 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254530036 1377107188 /nfs/dbraw/zinc/10/71/88/1377107188.db2.gz TYHXGHXIWXGRSI-VAMGGRTRSA-N 2 0 344.499 3.282 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1)[NH2+]CC1CCC1 ZINC001135472395 1377109789 /nfs/dbraw/zinc/10/97/89/1377109789.db2.gz WFQYGZCYXQHPMJ-SJORKVTESA-N 2 0 345.531 3.077 20 0 EGADRP CCOC(=O)C1CCC([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001255265894 1377110290 /nfs/dbraw/zinc/11/02/90/1377110290.db2.gz YZCKGPHDAKBTHX-UHFFFAOYSA-N 2 0 340.483 3.007 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481103 1377113022 /nfs/dbraw/zinc/11/30/22/1377113022.db2.gz QDAKCNUOXNIYDV-HOTGVXAUSA-N 2 0 327.557 3.273 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258569279 1377117951 /nfs/dbraw/zinc/11/79/51/1377117951.db2.gz SOGMEXKKXWLLFO-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP O=C1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC001258570704 1377117972 /nfs/dbraw/zinc/11/79/72/1377117972.db2.gz SKXDGWVATPVLBK-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135612844 1377161685 /nfs/dbraw/zinc/16/16/85/1377161685.db2.gz AKZPBRFFHAXWRV-QZTJIDSGSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613264 1377161771 /nfs/dbraw/zinc/16/17/71/1377161771.db2.gz DVCYUXPZKNLVQB-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614571 1377162995 /nfs/dbraw/zinc/16/29/95/1377162995.db2.gz WIMRDVRKLUSUCZ-JKCVZHOFSA-N 2 0 337.552 3.338 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135748090 1377201270 /nfs/dbraw/zinc/20/12/70/1377201270.db2.gz YSWCSZNHAZIIDB-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827569 1377223690 /nfs/dbraw/zinc/22/36/90/1377223690.db2.gz YJHADGYHBYMZRN-IRXDYDNUSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135861052 1377238216 /nfs/dbraw/zinc/23/82/16/1377238216.db2.gz LTEGFGJGSXAVQS-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135861916 1377238639 /nfs/dbraw/zinc/23/86/39/1377238639.db2.gz YUHVSNFVEPHWHK-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001266245788 1377243770 /nfs/dbraw/zinc/24/37/70/1377243770.db2.gz GRKWGFJUPHSCFS-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961506 1377277281 /nfs/dbraw/zinc/27/72/81/1377277281.db2.gz RLBYQTHXZDDGRH-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CCCC1CCC1 ZINC001135974226 1377283095 /nfs/dbraw/zinc/28/30/95/1377283095.db2.gz KVLMTTNVRHBHKO-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1c(C)ccc2ccccc21 ZINC001266344111 1377283245 /nfs/dbraw/zinc/28/32/45/1377283245.db2.gz DZSQXYNCLHDREH-UHFFFAOYSA-N 2 0 341.499 3.038 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001135975720 1377283797 /nfs/dbraw/zinc/28/37/97/1377283797.db2.gz BCDCMRPMMHOEFP-RBUKOAKNSA-N 2 0 347.547 3.224 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309385 1388493986 /nfs/dbraw/zinc/49/39/86/1388493986.db2.gz VBHGRCDNTQQDIS-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001267129116 1377416146 /nfs/dbraw/zinc/41/61/46/1377416146.db2.gz IZSXWGKMCBJRQJ-SQGPQFPESA-N 2 0 345.531 3.135 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267393366 1377444238 /nfs/dbraw/zinc/44/42/38/1377444238.db2.gz DHOXNUHZBYSYKS-UYAOXDASSA-N 2 0 345.531 3.224 20 0 EGADRP c1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc2c1COC2 ZINC001137021997 1377459767 /nfs/dbraw/zinc/45/97/67/1377459767.db2.gz JZMVADIKBUCSHO-UHFFFAOYSA-N 2 0 344.499 3.041 20 0 EGADRP Cc1c(C(=O)N[C@H](C)C[N@@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001268736060 1377520315 /nfs/dbraw/zinc/52/03/15/1377520315.db2.gz QBIOXWUUAXDZQL-HZPDHXFCSA-N 2 0 344.503 3.375 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4c[nH]c5ncccc45)C[C@@H]3C2)cc1 ZINC001137398999 1377540967 /nfs/dbraw/zinc/54/09/67/1377540967.db2.gz HCVYNXQKNCKCAP-PMACEKPBSA-N 2 0 346.478 3.435 20 0 EGADRP Fc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001137739690 1377608074 /nfs/dbraw/zinc/60/80/74/1377608074.db2.gz BEKIIHQWOBBBGS-UHFFFAOYSA-N 2 0 329.419 3.302 20 0 EGADRP CCc1cccc2c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c[nH]c21 ZINC001138366393 1377710831 /nfs/dbraw/zinc/71/08/31/1377710831.db2.gz XCKCLEYQDKFBAK-UHFFFAOYSA-N 2 0 344.547 3.436 20 0 EGADRP CNc1ncccc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001138696052 1377769707 /nfs/dbraw/zinc/76/97/07/1377769707.db2.gz JFSLZMIUCGFZRZ-UHFFFAOYSA-N 2 0 336.483 3.221 20 0 EGADRP Fc1ncccc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001138789350 1377785583 /nfs/dbraw/zinc/78/55/83/1377785583.db2.gz XHOIWONRHOWOSN-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3cccc(C)c23)CC1 ZINC001139196445 1377848848 /nfs/dbraw/zinc/84/88/48/1377848848.db2.gz NEYSLPPEGJXVAV-UHFFFAOYSA-N 2 0 342.531 3.326 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cnc(N)s1)CC2 ZINC001139226428 1377856658 /nfs/dbraw/zinc/85/66/58/1377856658.db2.gz UZSYOYBYZKWINI-MRXNPFEDSA-N 2 0 346.500 3.195 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001139464469 1377888844 /nfs/dbraw/zinc/88/88/44/1377888844.db2.gz TVDSMNCBCROBST-UHFFFAOYSA-N 2 0 343.471 3.118 20 0 EGADRP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1CC ZINC001139618653 1377919319 /nfs/dbraw/zinc/91/93/19/1377919319.db2.gz FMXJMXHHRDJLOS-UHFFFAOYSA-N 2 0 325.456 3.365 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccccc3C3CC3)CC2)CC1 ZINC001139883559 1377971330 /nfs/dbraw/zinc/97/13/30/1377971330.db2.gz XADQYSJQZHBGOS-UHFFFAOYSA-N 2 0 327.516 3.023 20 0 EGADRP c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccnn2)CC3)c1 ZINC001139972830 1377985524 /nfs/dbraw/zinc/98/55/24/1377985524.db2.gz UVKRDTLBZFBYEC-UHFFFAOYSA-N 2 0 342.512 3.416 20 0 EGADRP Fc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n1 ZINC001140132439 1378015959 /nfs/dbraw/zinc/01/59/59/1378015959.db2.gz NGQJEDOIMSXNHS-UHFFFAOYSA-N 2 0 329.419 3.302 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccncn2)CC3)cc1 ZINC001140349083 1378050983 /nfs/dbraw/zinc/05/09/83/1378050983.db2.gz IJMHFAYSDIEHTQ-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)s1 ZINC001140523417 1378078003 /nfs/dbraw/zinc/07/80/03/1378078003.db2.gz NQENGLHEUXNEHH-UHFFFAOYSA-N 2 0 336.501 3.089 20 0 EGADRP O=C1N(C2CCCC2)CCC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272716296 1378079836 /nfs/dbraw/zinc/07/98/36/1378079836.db2.gz DDZMIDAOKMUKPO-UHFFFAOYSA-N 2 0 347.547 3.120 20 0 EGADRP CCCCN1CC[C@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716907 1378079974 /nfs/dbraw/zinc/07/99/74/1378079974.db2.gz MFKIUSPYSAIOJB-OAQYLSRUSA-N 2 0 349.563 3.367 20 0 EGADRP Cn1cnc2ccc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC001140742122 1378128390 /nfs/dbraw/zinc/12/83/90/1378128390.db2.gz HUSLUFZDEREUKE-BGYRXZFFSA-N 2 0 346.478 3.137 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001274810012 1378133624 /nfs/dbraw/zinc/13/36/24/1378133624.db2.gz YNKTVSAOISCTFN-ZWKOTPCHSA-N 2 0 345.531 3.352 20 0 EGADRP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275165515 1378137286 /nfs/dbraw/zinc/13/72/86/1378137286.db2.gz GJIZKCORLGIDJF-MRXNPFEDSA-N 2 0 335.458 3.069 20 0 EGADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc2ccsc2c1 ZINC001275532437 1378141636 /nfs/dbraw/zinc/14/16/36/1378141636.db2.gz OBVZHCPHYAMCGP-ROUUACIJSA-N 2 0 329.513 3.112 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001275894425 1378161669 /nfs/dbraw/zinc/16/16/69/1378161669.db2.gz JZDGSPRPXFHYQB-NRFANRHFSA-N 2 0 336.483 3.451 20 0 EGADRP CS[C@H](C)CC[NH+]1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001276470255 1378174772 /nfs/dbraw/zinc/17/47/72/1378174772.db2.gz JIBUBZYTMJDJKK-CQSZACIVSA-N 2 0 339.574 3.491 20 0 EGADRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(-c4cnccn4)cc3)CC2)C1 ZINC001276872190 1378190934 /nfs/dbraw/zinc/19/09/34/1378190934.db2.gz NDKWXQHFYRPCQW-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CCCC1CCCC1)C2 ZINC001276885751 1378192218 /nfs/dbraw/zinc/19/22/18/1378192218.db2.gz BUHCRSBNAXPDJO-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Fc1ccc(-c2noc([C@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC001327513533 1388543575 /nfs/dbraw/zinc/54/35/75/1388543575.db2.gz XJDPTFMNAXZNKJ-ZBFHGGJFSA-N 2 0 344.434 3.055 20 0 EGADRP CN(CCC[N@H+](C)CCC1CCCCCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001280794011 1378379114 /nfs/dbraw/zinc/37/91/14/1378379114.db2.gz QRMZIWVDSCXOEN-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001142307043 1378432744 /nfs/dbraw/zinc/43/27/44/1378432744.db2.gz QSSAIKKBCIDAJS-KSZLIROESA-N 2 0 337.552 3.218 20 0 EGADRP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(C)c1 ZINC001142948736 1378515507 /nfs/dbraw/zinc/51/55/07/1378515507.db2.gz DPDYXNBGTCRSJW-UHFFFAOYSA-N 2 0 325.456 3.338 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001142969701 1378518690 /nfs/dbraw/zinc/51/86/90/1378518690.db2.gz UGOMKQCEZAAAPO-CVEARBPZSA-N 2 0 342.874 3.181 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383500 1378831097 /nfs/dbraw/zinc/83/10/97/1378831097.db2.gz HVDCFLNNCHNRDB-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584727 1378870822 /nfs/dbraw/zinc/87/08/22/1378870822.db2.gz UQTPUCXUGUFXRU-IAGOWNOFSA-N 2 0 331.504 3.201 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001146581521 1378871123 /nfs/dbraw/zinc/87/11/23/1378871123.db2.gz CMMKKQRWBCVFSB-JKSUJKDBSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001146601618 1378876177 /nfs/dbraw/zinc/87/61/77/1378876177.db2.gz MWLQIYFJOVFYIK-DLBZAZTESA-N 2 0 345.531 3.277 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001146611637 1378878034 /nfs/dbraw/zinc/87/80/34/1378878034.db2.gz NFCNEXIUCTVDQB-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146611653 1378878052 /nfs/dbraw/zinc/87/80/52/1378878052.db2.gz NILQNCKGUVXQFI-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCCCF)NC(=O)CCCC[NH+]1CCCC1 ZINC001146698921 1378899953 /nfs/dbraw/zinc/89/99/53/1378899953.db2.gz AHHBYILZQACHGJ-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CCC1CCCC1 ZINC001147449078 1379022878 /nfs/dbraw/zinc/02/28/78/1379022878.db2.gz HYHFTCOTZRMZSB-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001147449540 1379023286 /nfs/dbraw/zinc/02/32/86/1379023286.db2.gz SWGUBEAGAYFSRX-SFHVURJKSA-N 2 0 327.557 3.277 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001147449023 1379023294 /nfs/dbraw/zinc/02/32/94/1379023294.db2.gz FHWAOTQPWJBDCY-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CC1CCCCCC1)c1ccccc1 ZINC001147457510 1379025396 /nfs/dbraw/zinc/02/53/96/1379025396.db2.gz GNWPVQMOUJRMHW-FQEVSTJZSA-N 2 0 345.531 3.356 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001147824518 1379086148 /nfs/dbraw/zinc/08/61/48/1379086148.db2.gz KRUJPJLJIOIITF-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147835513 1379088067 /nfs/dbraw/zinc/08/80/67/1379088067.db2.gz TUKCYQLCACPWPW-PKOBYXMFSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001148292817 1379146970 /nfs/dbraw/zinc/14/69/70/1379146970.db2.gz VCQBUKMRFBXNDV-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001148364851 1379157899 /nfs/dbraw/zinc/15/78/99/1379157899.db2.gz DXUROPNNXPRTLR-QGZVFWFLSA-N 2 0 347.547 3.483 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCCC1)C2 ZINC001148469639 1379178927 /nfs/dbraw/zinc/17/89/27/1379178927.db2.gz POJZCQQCDCNVGX-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC001327781246 1388595441 /nfs/dbraw/zinc/59/54/41/1388595441.db2.gz KIXBKLDZBYLNHM-AWEZNQCLSA-N 2 0 342.409 3.051 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605755 1379224198 /nfs/dbraw/zinc/22/41/98/1379224198.db2.gz UDXWEMRWUGERNN-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001284025345 1379373090 /nfs/dbraw/zinc/37/30/90/1379373090.db2.gz IVSDLVGIGLIZAS-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001284028776 1379377621 /nfs/dbraw/zinc/37/76/21/1379377621.db2.gz BIBBXZBGVPWFRV-MAUKXSAKSA-N 2 0 349.544 3.012 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001284133058 1379518291 /nfs/dbraw/zinc/51/82/91/1379518291.db2.gz UBGMBWPIDYVONA-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001151361668 1379704766 /nfs/dbraw/zinc/70/47/66/1379704766.db2.gz MLUINOAVONOPJX-IBGZPJMESA-N 2 0 349.494 3.249 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)c(C)c1 ZINC001151361305 1379704985 /nfs/dbraw/zinc/70/49/85/1379704985.db2.gz DVIFBVZKHTUQLH-UHFFFAOYSA-N 2 0 345.531 3.084 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001151361663 1379705018 /nfs/dbraw/zinc/70/50/18/1379705018.db2.gz MJOKWFCUUMITRV-LFYBBSHMSA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCC1CCCCC1)[NH+]1CCCCC1 ZINC001152480672 1379940408 /nfs/dbraw/zinc/94/04/08/1379940408.db2.gz ZDMJLIZWMIDNMX-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCC1CCCCCC1)[NH+]1CCCC1 ZINC001152479827 1379940723 /nfs/dbraw/zinc/94/07/23/1379940723.db2.gz KVOWTDKTDQCTFT-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001152485265 1379941106 /nfs/dbraw/zinc/94/11/06/1379941106.db2.gz YWCGSNQVGMDTHH-AZUAARDMSA-N 2 0 345.531 3.272 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001153315106 1380055077 /nfs/dbraw/zinc/05/50/77/1380055077.db2.gz XWSOBEPBQNFJPB-UUILKARUSA-N 2 0 343.515 3.062 20 0 EGADRP CC[N@H+](CC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361674 1380063850 /nfs/dbraw/zinc/06/38/50/1380063850.db2.gz FIHKZOJEPWTSFG-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153720563 1380119047 /nfs/dbraw/zinc/11/90/47/1380119047.db2.gz KPTNYBWTTAHROK-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1 ZINC001153728730 1380119574 /nfs/dbraw/zinc/11/95/74/1380119574.db2.gz UWUQRONIVUDVLZ-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930043 1380157316 /nfs/dbraw/zinc/15/73/16/1380157316.db2.gz DVXQEFLIGBQKGF-QUCCMNQESA-N 2 0 347.547 3.216 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCCC1)[NH+](C)C ZINC001154000810 1380174876 /nfs/dbraw/zinc/17/48/76/1380174876.db2.gz KCJGVKIFMDMDLP-SJLPKXTDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167957 1380219751 /nfs/dbraw/zinc/21/97/51/1380219751.db2.gz WUIXXJGWUUDLHV-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464247 1380282358 /nfs/dbraw/zinc/28/23/58/1380282358.db2.gz GUPXXSIXCGDQBV-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)[NH+](C)C ZINC001154465864 1380282927 /nfs/dbraw/zinc/28/29/27/1380282927.db2.gz NRLLEOQEDWUILG-MJGOQNOKSA-N 2 0 345.531 3.367 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154480676 1380285603 /nfs/dbraw/zinc/28/56/03/1380285603.db2.gz DPCATZQGVXOQMN-GOSISDBHSA-N 2 0 347.547 3.277 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154482088 1380286262 /nfs/dbraw/zinc/28/62/62/1380286262.db2.gz YQJZHTLPPDYJSV-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NC[C@@H]3CCC(F)(F)C3)c2)CC1 ZINC001155175986 1380420125 /nfs/dbraw/zinc/42/01/25/1380420125.db2.gz NARZPDAVRVWDJL-CYBMUJFWSA-N 2 0 325.403 3.402 20 0 EGADRP CC[N@H+](CCc1ccccc1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155262731 1380430125 /nfs/dbraw/zinc/43/01/25/1380430125.db2.gz GBCXAJGSCXYVDK-GOSISDBHSA-N 2 0 347.547 3.034 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155612458 1380473886 /nfs/dbraw/zinc/47/38/86/1380473886.db2.gz WJHUWHPDNTVNJY-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001328081310 1388664083 /nfs/dbraw/zinc/66/40/83/1388664083.db2.gz KIORAVAJXKCNRB-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@H+](CC)CC1CC1 ZINC001156319245 1380557959 /nfs/dbraw/zinc/55/79/59/1380557959.db2.gz RRPFCVWSTZFLHE-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP Cc1cnc(N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c(C[NH3+])c1 ZINC001156341673 1380561591 /nfs/dbraw/zinc/56/15/91/1380561591.db2.gz LLBNSTHXXIYLCG-PXNSSMCTSA-N 2 0 338.499 3.196 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc1 ZINC001156401716 1380571795 /nfs/dbraw/zinc/57/17/95/1380571795.db2.gz KAXDEHIBESNFSE-SVFBPWRDSA-N 2 0 342.531 3.407 20 0 EGADRP CC[N@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465668 1380579361 /nfs/dbraw/zinc/57/93/61/1380579361.db2.gz DSXYMPWMFYLPKJ-FIIODCPWSA-N 2 0 345.531 3.258 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1cc(C)ccc1C ZINC001156510279 1380586242 /nfs/dbraw/zinc/58/62/42/1380586242.db2.gz NJUODVIUAWYDQO-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157080862 1380770374 /nfs/dbraw/zinc/77/03/74/1380770374.db2.gz AVOXLNWAHMHKDD-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701646 1381008119 /nfs/dbraw/zinc/00/81/19/1381008119.db2.gz GVUBZIBWWHPCJF-PWBPZBFBSA-N 2 0 335.536 3.140 20 0 EGADRP Cc1cccc2c1ccnc2N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001157838481 1381047636 /nfs/dbraw/zinc/04/76/36/1381047636.db2.gz ZOSICSCVOQMFSF-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001157886501 1381060274 /nfs/dbraw/zinc/06/02/74/1381060274.db2.gz IFMJJZOIQPGVER-HXUWFJFHSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157887368 1381061071 /nfs/dbraw/zinc/06/10/71/1381061071.db2.gz TYZLIYYJTJJDQC-PKOBYXMFSA-N 2 0 331.504 3.025 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001157893214 1381062797 /nfs/dbraw/zinc/06/27/97/1381062797.db2.gz BDQHSBBRPBBYGB-ICSRJNTNSA-N 2 0 345.531 3.333 20 0 EGADRP O=C([C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971258 1381087993 /nfs/dbraw/zinc/08/79/93/1381087993.db2.gz WREDJLMMPUNLFZ-PCCBWWKXSA-N 2 0 349.478 3.043 20 0 EGADRP COc1ccc2c(cc[nH+]c2N2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001158105068 1381129189 /nfs/dbraw/zinc/12/91/89/1381129189.db2.gz VKTQKPHRTLHFFK-UHFFFAOYSA-N 2 0 334.423 3.273 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cc1C ZINC001328266102 1388703809 /nfs/dbraw/zinc/70/38/09/1388703809.db2.gz GVDAZHLXPGXXKB-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001158411147 1381235577 /nfs/dbraw/zinc/23/55/77/1381235577.db2.gz ALGMXUDZNBHELY-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C(C)C)CC[N@@H+]1C ZINC001158411569 1381237880 /nfs/dbraw/zinc/23/78/80/1381237880.db2.gz GEDIECBQMCYZPK-VQTJNVASSA-N 2 0 345.531 3.136 20 0 EGADRP CN(C)c1cc[nH+]c(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001158448809 1381249086 /nfs/dbraw/zinc/24/90/86/1381249086.db2.gz BYDVIWTUSNWBNV-UHFFFAOYSA-N 2 0 342.462 3.388 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473045 1381257891 /nfs/dbraw/zinc/25/78/91/1381257891.db2.gz JCCQVSCXXAWWHU-SLVIYJBESA-N 2 0 349.563 3.388 20 0 EGADRP Cc1ccc2ccnc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)c2c1 ZINC001158580989 1381309640 /nfs/dbraw/zinc/30/96/40/1381309640.db2.gz LXCUHINQZKQSIA-UHFFFAOYSA-N 2 0 338.499 3.196 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC1 ZINC001158631267 1381331192 /nfs/dbraw/zinc/33/11/92/1381331192.db2.gz IRRXMUAXORMIRB-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768124 1381389284 /nfs/dbraw/zinc/38/92/84/1381389284.db2.gz JKNFMDYMGYPGCA-ZWKOTPCHSA-N 2 0 325.541 3.077 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744178 1381379079 /nfs/dbraw/zinc/37/90/79/1381379079.db2.gz GDXYBDGKMXEVMM-SFFCAUCYSA-N 2 0 347.547 3.142 20 0 EGADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC4(C3)CCC[NH2+]C4)c12 ZINC001159025276 1381517810 /nfs/dbraw/zinc/51/78/10/1381517810.db2.gz KLSALNPLBFUNIF-UHFFFAOYSA-N 2 0 332.451 3.274 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2cccnc2N2CC[NH2+]CC2)cc1 ZINC001159187090 1381723635 /nfs/dbraw/zinc/72/36/35/1381723635.db2.gz ZVYHDIBEXSMKMM-UHFFFAOYSA-N 2 0 339.487 3.077 20 0 EGADRP c1cn(-c2cc[nH+]c(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)c2)cn1 ZINC001159654824 1381860608 /nfs/dbraw/zinc/86/06/08/1381860608.db2.gz JQXQZWIZGGCWJK-IBGZPJMESA-N 2 0 347.466 3.386 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC001159787087 1381899484 /nfs/dbraw/zinc/89/94/84/1381899484.db2.gz RATMEJMCCISOGZ-MRXNPFEDSA-N 2 0 341.846 3.386 20 0 EGADRP c1[nH+]cn(Cc2ccccc2)c1Nc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001159920883 1381937273 /nfs/dbraw/zinc/93/72/73/1381937273.db2.gz UDOZHADTRLOVRZ-IBGZPJMESA-N 2 0 334.423 3.416 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120277 1382002965 /nfs/dbraw/zinc/00/29/65/1382002965.db2.gz KWNYOXIECPTBHD-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131028 1382008374 /nfs/dbraw/zinc/00/83/74/1382008374.db2.gz DCMOINIUCHKRCG-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+]1CCC(COc2ccc(F)cc2NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001160143681 1382015550 /nfs/dbraw/zinc/01/55/50/1382015550.db2.gz APAKGWQRRFJWSA-SJORKVTESA-N 2 0 345.462 3.366 20 0 EGADRP Cc1cc(Nc2ccc([C@@H](O)C[NH2+]CCc3ccccc3)cc2)cc[nH+]1 ZINC001160254079 1382051268 /nfs/dbraw/zinc/05/12/68/1382051268.db2.gz YCNSWXFXYCACAA-QFIPXVFZSA-N 2 0 347.462 3.421 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCCOC3CCCCC3)c2)CC1 ZINC001160281010 1382060041 /nfs/dbraw/zinc/06/00/41/1382060041.db2.gz BSJSVVWZYWLNDZ-UHFFFAOYSA-N 2 0 333.476 3.316 20 0 EGADRP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160285550 1382061348 /nfs/dbraw/zinc/06/13/48/1382061348.db2.gz HKTJVSPYCGSMBD-KKHYBRAUSA-N 2 0 347.547 3.356 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2=CC[N@H+](CC3CC(C)(C)C3)CC2)CCC1 ZINC001160360672 1382082555 /nfs/dbraw/zinc/08/25/55/1382082555.db2.gz UNKODELXEOZSLL-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160368002 1382085087 /nfs/dbraw/zinc/08/50/87/1382085087.db2.gz YFQJMEKWCAOCAB-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP c1ccc(C[N@@H+]2CCC=C(Nc3cccc4c3[C@@H]3C[NH2+]C[C@H]3O4)C2)cc1 ZINC001160394264 1382092645 /nfs/dbraw/zinc/09/26/45/1382092645.db2.gz GTBZYJMNJAKCNF-WIYYLYMNSA-N 2 0 347.462 3.336 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499418 1382123982 /nfs/dbraw/zinc/12/39/82/1382123982.db2.gz CWDYZCVMUSVMJT-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499419 1382124433 /nfs/dbraw/zinc/12/44/33/1382124433.db2.gz CWDYZCVMUSVMJT-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001292098205 1382169856 /nfs/dbraw/zinc/16/98/56/1382169856.db2.gz PQNZJZNGIAGJBZ-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C[NH3+])c1cn(-c2nccc(C3CC[NH2+]CC3)n2)c2ccccc12 ZINC001160845084 1382214926 /nfs/dbraw/zinc/21/49/26/1382214926.db2.gz LBCVQKWQSAGAQG-UHFFFAOYSA-N 2 0 349.482 3.124 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccc(Cl)cc1)c1cc2c[nH]ccc-2n1 ZINC001160990272 1382263713 /nfs/dbraw/zinc/26/37/13/1382263713.db2.gz HBAYNVGJQYXJIX-UHFFFAOYSA-N 2 0 342.830 3.126 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001161226354 1382349238 /nfs/dbraw/zinc/34/92/38/1382349238.db2.gz FEGQXEJHPCLONZ-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP CCOc1cc[nH+]c(NCC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC001161242866 1382352605 /nfs/dbraw/zinc/35/26/05/1382352605.db2.gz GMZJIUOUUXKJEN-UHFFFAOYSA-N 2 0 326.444 3.199 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382919 1382391219 /nfs/dbraw/zinc/39/12/19/1382391219.db2.gz FGHMHRMHLOSCDG-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391058 1382396123 /nfs/dbraw/zinc/39/61/23/1382396123.db2.gz OHGDXZFQSVPGBV-AZUAARDMSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444930 1382413091 /nfs/dbraw/zinc/41/30/91/1382413091.db2.gz MUZOZKIVKFVNBT-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001161518562 1382428963 /nfs/dbraw/zinc/42/89/63/1382428963.db2.gz IAHQRTKCWGMNNH-UHFFFAOYSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001161643974 1382468754 /nfs/dbraw/zinc/46/87/54/1382468754.db2.gz GEVCJYJDLBDJBD-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001161649356 1382470526 /nfs/dbraw/zinc/47/05/26/1382470526.db2.gz DHKQZFNIFWUMQG-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001162467515 1382766573 /nfs/dbraw/zinc/76/65/73/1382766573.db2.gz QVMYSUQJIHEIAX-SJLPKXTDSA-N 2 0 331.504 3.003 20 0 EGADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001162677851 1382830496 /nfs/dbraw/zinc/83/04/96/1382830496.db2.gz SPCFZMJRRVEINE-LSTHTHJFSA-N 2 0 338.499 3.328 20 0 EGADRP [NH3+][C@@H]1Cc2ccccc2N(c2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001162847362 1382893275 /nfs/dbraw/zinc/89/32/75/1382893275.db2.gz NOHLNCVEQIZLHB-GOSISDBHSA-N 2 0 331.463 3.356 20 0 EGADRP CC[NH+](CC)CC(=O)N(CC[NH2+]CCC(C)C)CCc1ccccc1 ZINC001162959812 1382927867 /nfs/dbraw/zinc/92/78/67/1382927867.db2.gz BJOWJKYZZKPKEO-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163243198 1383003367 /nfs/dbraw/zinc/00/33/67/1383003367.db2.gz WOLMDOOCGFRBCN-VOTSOKGWSA-N 2 0 337.552 3.341 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001163249082 1383004867 /nfs/dbraw/zinc/00/48/67/1383004867.db2.gz VKJRQEJIQHIPDM-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]Cc1ccc(F)cc1)C1CCCCC1 ZINC001163274966 1383010543 /nfs/dbraw/zinc/01/05/43/1383010543.db2.gz LXWRSLRJDZWTDG-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCC(C)CC2)C1 ZINC001164449687 1383187854 /nfs/dbraw/zinc/18/78/54/1383187854.db2.gz QARHLCHUJVZLIC-ACBHZAAOSA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001164449362 1383187947 /nfs/dbraw/zinc/18/79/47/1383187947.db2.gz IWGKRHTWWISNDD-KRWDZBQOSA-N 2 0 325.541 3.031 20 0 EGADRP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554791 1383198631 /nfs/dbraw/zinc/19/86/31/1383198631.db2.gz HFZFCCOGPMENBV-GOSISDBHSA-N 2 0 349.563 3.031 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(C)c(C[NH2+]C)c2C)nc1 ZINC001165153938 1383237935 /nfs/dbraw/zinc/23/79/35/1383237935.db2.gz PBDVPTBTCAQQAW-SFHVURJKSA-N 2 0 327.476 3.150 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(CC)CC)CC1 ZINC001165333181 1383275315 /nfs/dbraw/zinc/27/53/15/1383275315.db2.gz NYXHABPIMQISII-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CCC(C2C[NH2+]C2)CC1 ZINC001165412414 1383290060 /nfs/dbraw/zinc/29/00/60/1383290060.db2.gz LTWCRZJODMDYIN-UHFFFAOYSA-N 2 0 336.483 3.271 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472746 1383300018 /nfs/dbraw/zinc/30/00/18/1383300018.db2.gz RQLDHTPYWAETEO-GOSISDBHSA-N 2 0 335.536 3.092 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001165485483 1383301474 /nfs/dbraw/zinc/30/14/74/1383301474.db2.gz XISYZCJLTSBNCK-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165569028 1383311563 /nfs/dbraw/zinc/31/15/63/1383311563.db2.gz PMYNUTMRFKJXTI-LJQANCHMSA-N 2 0 347.547 3.237 20 0 EGADRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001165781513 1383344767 /nfs/dbraw/zinc/34/47/67/1383344767.db2.gz SQPCQNHBUSEPBR-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(C)ccc1C)[NH+](CC)CC ZINC001166425467 1383421268 /nfs/dbraw/zinc/42/12/68/1383421268.db2.gz SASAOCPJTKFVAM-IBGZPJMESA-N 2 0 333.520 3.020 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001166448480 1383423485 /nfs/dbraw/zinc/42/34/85/1383423485.db2.gz UGMDXRONCPBHQC-IBGZPJMESA-N 2 0 333.520 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001166787592 1383477388 /nfs/dbraw/zinc/47/73/88/1383477388.db2.gz SWQRZTPSHDPABR-IBGZPJMESA-N 2 0 349.563 3.175 20 0 EGADRP CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166802303 1383479863 /nfs/dbraw/zinc/47/98/63/1383479863.db2.gz JVLIPCBCMSCHGV-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001166802878 1383479954 /nfs/dbraw/zinc/47/99/54/1383479954.db2.gz NLFBJCPHECXGIU-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001166843552 1383486516 /nfs/dbraw/zinc/48/65/16/1383486516.db2.gz GVXYTUFZPXLUFY-APWZRJJASA-N 2 0 347.547 3.481 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001166852139 1383487996 /nfs/dbraw/zinc/48/79/96/1383487996.db2.gz MPCHOVVYTPKKJD-JXFKEZNVSA-N 2 0 341.499 3.337 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167035424 1383524541 /nfs/dbraw/zinc/52/45/41/1383524541.db2.gz IJBWHIGKITZCKX-QZTJIDSGSA-N 2 0 339.568 3.131 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001167179656 1383559578 /nfs/dbraw/zinc/55/95/78/1383559578.db2.gz NWKKUZQRKQGSIA-IBGZPJMESA-N 2 0 345.531 3.183 20 0 EGADRP [NH3+]Cc1cnc2c(ccn2-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c1 ZINC001167311525 1383593090 /nfs/dbraw/zinc/59/30/90/1383593090.db2.gz OQCCYISKIDIROR-UHFFFAOYSA-N 2 0 332.451 3.052 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385414 1383619305 /nfs/dbraw/zinc/61/93/05/1383619305.db2.gz BZBYZJMURJSFMX-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426316 1383631079 /nfs/dbraw/zinc/63/10/79/1383631079.db2.gz RQQLQYLEIBXCEI-QZTJIDSGSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460806 1383639267 /nfs/dbraw/zinc/63/92/67/1383639267.db2.gz PRFNULKLOSNHCI-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)C(C)C ZINC001167466091 1383640397 /nfs/dbraw/zinc/64/03/97/1383640397.db2.gz AIEPILWIWBKHEA-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)C(C)C ZINC001167466757 1383641069 /nfs/dbraw/zinc/64/10/69/1383641069.db2.gz YFJSWQWNWJAIKY-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H]([NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001167480364 1383646731 /nfs/dbraw/zinc/64/67/31/1383646731.db2.gz BSTVKYJLTQMIQY-IBGZPJMESA-N 2 0 345.531 3.356 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)CC1 ZINC001167599899 1383685917 /nfs/dbraw/zinc/68/59/17/1383685917.db2.gz UZGQGAHWJNYNHC-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627451 1383692770 /nfs/dbraw/zinc/69/27/70/1383692770.db2.gz OAMGHRWMPUNHKZ-UYAOXDASSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001167626511 1383692890 /nfs/dbraw/zinc/69/28/90/1383692890.db2.gz CSZBIOPSVANGPR-VQTJNVASSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167636332 1383694634 /nfs/dbraw/zinc/69/46/34/1383694634.db2.gz SKIYWOGYDSIULN-UYAOXDASSA-N 2 0 345.531 3.415 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC001167683807 1383709211 /nfs/dbraw/zinc/70/92/11/1383709211.db2.gz BXPWDBNHGMQAGF-CRAIPNDOSA-N 2 0 335.467 3.125 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001167742832 1383727432 /nfs/dbraw/zinc/72/74/32/1383727432.db2.gz YVHVEJMAJKZOEL-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167824316 1383749576 /nfs/dbraw/zinc/74/95/76/1383749576.db2.gz DJNSATXRKYMDTL-SJORKVTESA-N 2 0 341.540 3.438 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC001167825822 1383750398 /nfs/dbraw/zinc/75/03/98/1383750398.db2.gz KVFPBTVGKRVZEO-LJQANCHMSA-N 2 0 347.547 3.323 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2cccc(OC)n2)C1 ZINC001167834122 1383753058 /nfs/dbraw/zinc/75/30/58/1383753058.db2.gz HOQGOSNEXZREHN-ROUUACIJSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cccc(OC)n2)C1 ZINC001167833762 1383753496 /nfs/dbraw/zinc/75/34/96/1383753496.db2.gz DRBQENJRQAHYQG-DLBZAZTESA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001167833906 1383753528 /nfs/dbraw/zinc/75/35/28/1383753528.db2.gz FQSSMMTZKUEVNY-IEBWSBKVSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC001167833429 1383753564 /nfs/dbraw/zinc/75/35/64/1383753564.db2.gz BDQMWWBPKLWTOJ-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2ncc(C)cn2)C1 ZINC001167836189 1383754022 /nfs/dbraw/zinc/75/40/22/1383754022.db2.gz XCPDBAYKBIBWNM-MSOLQXFVSA-N 2 0 334.508 3.139 20 0 EGADRP CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1CCN(C(C)=O)CC1 ZINC001167838179 1383756093 /nfs/dbraw/zinc/75/60/93/1383756093.db2.gz RHAUCHCTSGBZDP-KRWDZBQOSA-N 2 0 325.541 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(c2ccc(C(=O)OC)cc2)C1 ZINC001167841714 1383756900 /nfs/dbraw/zinc/75/69/00/1383756900.db2.gz PFRPXDAPAVRIGN-MRXNPFEDSA-N 2 0 332.488 3.383 20 0 EGADRP CC[C@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001167880536 1383764768 /nfs/dbraw/zinc/76/47/68/1383764768.db2.gz BWARKVLCUXVGIV-ZWKOTPCHSA-N 2 0 333.520 3.184 20 0 EGADRP COc1cc(NC(=[NH2+])NCCCC[NH3+])ccc1Oc1ccccc1 ZINC001167884310 1383765277 /nfs/dbraw/zinc/76/52/77/1383765277.db2.gz UVXAVDRJEKDMLB-UHFFFAOYSA-N 2 0 328.416 3.163 20 0 EGADRP O[C@@H]1c2ccccc2CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969045 1383782041 /nfs/dbraw/zinc/78/20/41/1383782041.db2.gz YUDPVSCBIWNJRM-HRMWUGKZSA-N 2 0 326.484 3.030 20 0 EGADRP [NH3+]CCc1cn(-c2cc(N3CCCCC3)cc[nH+]2)c2ccc(O)cc12 ZINC001167984131 1383787799 /nfs/dbraw/zinc/78/77/99/1383787799.db2.gz WFUUNRDWTZMIOS-UHFFFAOYSA-N 2 0 336.439 3.223 20 0 EGADRP CC1([NH+]2CCCC2)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002841 1383792936 /nfs/dbraw/zinc/79/29/36/1383792936.db2.gz ZSIRGABIKQXUCQ-YOFSQIOKSA-N 2 0 331.548 3.342 20 0 EGADRP C[C@H]1CC([NH2+]CCC(=O)N2CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011059 1383795543 /nfs/dbraw/zinc/79/55/43/1383795543.db2.gz MHBDQYLDLOXMEG-ROUUACIJSA-N 2 0 343.515 3.030 20 0 EGADRP CC(=O)N1CCC([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168011286 1383796159 /nfs/dbraw/zinc/79/61/59/1383796159.db2.gz NFMCZUONMCLQFT-IAGOWNOFSA-N 2 0 343.515 3.029 20 0 EGADRP CCOC(=O)C[C@H](C)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168013699 1383797128 /nfs/dbraw/zinc/79/71/28/1383797128.db2.gz INHRTOFXXJPIDI-GVDBMIGSSA-N 2 0 332.488 3.359 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025911 1383799064 /nfs/dbraw/zinc/79/90/64/1383799064.db2.gz KOOLLSHKDLRWPI-FEHORTKBSA-N 2 0 344.499 3.359 20 0 EGADRP C[C@@H]1CC([NH2+]CCN2CCC[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024749 1383799198 /nfs/dbraw/zinc/79/91/98/1383799198.db2.gz IOJHPWBFLQEBAQ-GGPKGHCWSA-N 2 0 347.522 3.452 20 0 EGADRP C[C@@H]1CC(N2CC[NH+](C3CC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040443 1383802980 /nfs/dbraw/zinc/80/29/80/1383802980.db2.gz MUZZXIDPFRRBRU-QZTJIDSGSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H](Cc1ccc(Cl)cc1)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001168155835 1383829190 /nfs/dbraw/zinc/82/91/90/1383829190.db2.gz HWDAXHDWQHPDFH-VIFPVBQESA-N 2 0 330.910 3.155 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001168278010 1383861045 /nfs/dbraw/zinc/86/10/45/1383861045.db2.gz ASAYOONMKKIDGI-FDFHNCONSA-N 2 0 348.490 3.226 20 0 EGADRP CN(C[C@@H](O)C[N@@H+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285328 1383863453 /nfs/dbraw/zinc/86/34/53/1383863453.db2.gz SRHVUSKESHQNDI-PZJWPPBQSA-N 2 0 330.516 3.176 20 0 EGADRP CN(C[C@@H](O)C[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285329 1383863506 /nfs/dbraw/zinc/86/35/06/1383863506.db2.gz SRHVUSKESHQNDI-TZIWHRDSSA-N 2 0 330.516 3.176 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168291487 1383865149 /nfs/dbraw/zinc/86/51/49/1383865149.db2.gz YYPRUAYKPLWGBE-OSFIAYCASA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168290860 1383865536 /nfs/dbraw/zinc/86/55/36/1383865536.db2.gz LJOKMXFCAGSZSY-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001168297823 1383866496 /nfs/dbraw/zinc/86/64/96/1383866496.db2.gz YFRGBNGIEMRNOI-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297620 1383866621 /nfs/dbraw/zinc/86/66/21/1383866621.db2.gz UVFZOYBMLOLEFS-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)C1CCC(N2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001168306047 1383868377 /nfs/dbraw/zinc/86/83/77/1383868377.db2.gz PGAUQVCYYKUNTG-UHFFFAOYSA-N 2 0 335.923 3.463 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168319498 1383871901 /nfs/dbraw/zinc/87/19/01/1383871901.db2.gz VNXAIDYVFAUZKF-XNIRIUNOSA-N 2 0 339.524 3.189 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001168326532 1383873074 /nfs/dbraw/zinc/87/30/74/1383873074.db2.gz ACWOZJZICLHZCN-HRTMPFAESA-N 3 0 341.543 3.457 20 0 EGADRP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)C1CCC([NH+](C)C)CC1)C2 ZINC001168328312 1383874454 /nfs/dbraw/zinc/87/44/54/1383874454.db2.gz DZSKBTHKKPDCHV-KLAILNCOSA-N 2 0 332.488 3.148 20 0 EGADRP Cc1ccc(C[NH2+]CC2(CCNC(=O)C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC001168345278 1383879157 /nfs/dbraw/zinc/87/91/57/1383879157.db2.gz NEQQFXOPJCZYCP-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP COc1cccc(CC2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168369072 1383886847 /nfs/dbraw/zinc/88/68/47/1383886847.db2.gz VNYSLRIXFMSQJQ-UHFFFAOYSA-N 2 0 328.500 3.482 20 0 EGADRP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)C1CC[NH+](CC3CC3)CC1)C2 ZINC001168389639 1383892940 /nfs/dbraw/zinc/89/29/40/1383892940.db2.gz VCNGEYFKHBSLGX-QGZVFWFLSA-N 2 0 344.499 3.150 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168454985 1383911125 /nfs/dbraw/zinc/91/11/25/1383911125.db2.gz PCJAJOZMAMNFKT-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN([C@H](C)Cc1cccc(F)c1)C2 ZINC001168483848 1383919456 /nfs/dbraw/zinc/91/94/56/1383919456.db2.gz BDTXRKGRTCUQAV-MRXNPFEDSA-N 2 0 344.478 3.309 20 0 EGADRP CCC1(Nc2cc(C)c3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[NH2+]C1 ZINC001168575284 1383939990 /nfs/dbraw/zinc/93/99/90/1383939990.db2.gz KQPSEDDTTZJIKD-UHFFFAOYSA-N 2 0 336.483 3.112 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[C@H]([NH+](C)C)CC3)CCO2)cc1 ZINC001168616469 1383949103 /nfs/dbraw/zinc/94/91/03/1383949103.db2.gz NHYCSIYXGJOKOW-JPLJXNOCSA-N 2 0 332.488 3.378 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CC1CCCCC1)C(C)C ZINC001168653461 1383959086 /nfs/dbraw/zinc/95/90/86/1383959086.db2.gz RZTHBQZVFXCRKQ-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168667382 1383964569 /nfs/dbraw/zinc/96/45/69/1383964569.db2.gz STXYQWFUSQREOP-HXUWFJFHSA-N 2 0 347.547 3.211 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)C(C)C ZINC001168666922 1383964786 /nfs/dbraw/zinc/96/47/86/1383964786.db2.gz NCDOUDBSJFNFFJ-MSOLQXFVSA-N 2 0 327.557 3.131 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001168755747 1383992631 /nfs/dbraw/zinc/99/26/31/1383992631.db2.gz RJWGTLQEVJBOQJ-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP COC(=O)C1(C)CCC([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001168790124 1384005486 /nfs/dbraw/zinc/00/54/86/1384005486.db2.gz IDFNIBJQTWXMAF-ZJRDLVKKSA-N 2 0 336.520 3.449 20 0 EGADRP CCC1(CC)CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001307928964 1384058004 /nfs/dbraw/zinc/05/80/04/1384058004.db2.gz PWZJUKFIOSWSQN-LJQANCHMSA-N 2 0 345.531 3.308 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C2 ZINC001169094943 1384106081 /nfs/dbraw/zinc/10/60/81/1384106081.db2.gz NVPOBGRBSXOSTI-KFESYUHLSA-N 2 0 337.508 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(Br)cc1F)C2 ZINC001169108633 1384108391 /nfs/dbraw/zinc/10/83/91/1384108391.db2.gz UGTNMFVEADQXFC-CNDDSTCGSA-N 2 0 340.240 3.128 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC[NH+](Cc4ccoc4)C3)CC1)C2 ZINC001169141983 1384112755 /nfs/dbraw/zinc/11/27/55/1384112755.db2.gz YTOOFLMMBQHNKM-PMOLBWCYSA-N 3 0 343.515 3.193 20 0 EGADRP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155130 1384116026 /nfs/dbraw/zinc/11/60/26/1384116026.db2.gz YIIKUPJAXMWIBL-PLACYPQZSA-N 2 0 327.516 3.208 20 0 EGADRP C[N@H+](Cc1cccc(F)c1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169155642 1384116051 /nfs/dbraw/zinc/11/60/51/1384116051.db2.gz UCICIMBNFBIGMZ-AERCQKQUSA-N 2 0 345.506 3.347 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC001308327730 1384119413 /nfs/dbraw/zinc/11/94/13/1384119413.db2.gz UMJQBWZDBUXLRI-YPAWHYETSA-N 2 0 336.479 3.303 20 0 EGADRP Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001308340672 1384120530 /nfs/dbraw/zinc/12/05/30/1384120530.db2.gz DKKKPSNPNLAUGB-AWEZNQCLSA-N 2 0 331.460 3.125 20 0 EGADRP C[C@H]([NH3+])c1ccn(-c2ccc([C@H](CC[NH+](C)C)c3ccccn3)cc2)n1 ZINC001169233536 1384125373 /nfs/dbraw/zinc/12/53/73/1384125373.db2.gz RKOAKDLAGMTYMR-LPHOPBHVSA-N 2 0 349.482 3.371 20 0 EGADRP CC[NH+]1CCC(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169263735 1384129522 /nfs/dbraw/zinc/12/95/22/1384129522.db2.gz APTFMGOJXSGJPC-OAQYLSRUSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](OC(C)C)c2ccccc2OC)CC1 ZINC001308709659 1384143593 /nfs/dbraw/zinc/14/35/93/1384143593.db2.gz PTMIRRLXQUABFA-HXUWFJFHSA-N 2 0 334.504 3.483 20 0 EGADRP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001308897324 1384157365 /nfs/dbraw/zinc/15/73/65/1384157365.db2.gz JJHSZCBHEAEVJI-NWMXVAIHSA-N 2 0 344.499 3.076 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001169664372 1384170337 /nfs/dbraw/zinc/17/03/37/1384170337.db2.gz KTECWPXVJYJUEH-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169720552 1384177991 /nfs/dbraw/zinc/17/79/91/1384177991.db2.gz JCKVKHCDOODFQD-LJQANCHMSA-N 2 0 331.504 3.003 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169799945 1384187489 /nfs/dbraw/zinc/18/74/89/1384187489.db2.gz YSHFEZSINSUIJZ-QUCCMNQESA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001169957391 1384204420 /nfs/dbraw/zinc/20/44/20/1384204420.db2.gz BFLWQYUDWFAPKX-HXUWFJFHSA-N 2 0 345.531 3.354 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001170211123 1384265783 /nfs/dbraw/zinc/26/57/83/1384265783.db2.gz KJKZZIHJWFXKDH-QGZVFWFLSA-N 2 0 333.520 3.309 20 0 EGADRP CC[NH+](CC)CC[C@H](C)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001311435577 1384282744 /nfs/dbraw/zinc/28/27/44/1384282744.db2.gz ZYGCSJPEMVJHHJ-KRWDZBQOSA-N 2 0 340.556 3.061 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170528951 1384336290 /nfs/dbraw/zinc/33/62/90/1384336290.db2.gz DYFMWVIIWLOKNS-OWYHZJEWSA-N 2 0 348.462 3.239 20 0 EGADRP CCCCCC[C@H](CC)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001170590785 1384346873 /nfs/dbraw/zinc/34/68/73/1384346873.db2.gz OYYWZQVCRMZCIS-BZSNNMDCSA-N 2 0 325.541 3.314 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170716587 1384372414 /nfs/dbraw/zinc/37/24/14/1384372414.db2.gz QMCQTHFOPORDNY-QGZVFWFLSA-N 2 0 343.421 3.348 20 0 EGADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4[C@@H](CCN4Cc4nccs4)C3)C[C@@H]21 ZINC001170752070 1384378833 /nfs/dbraw/zinc/37/88/33/1384378833.db2.gz UDBMTMTVYNPPOS-SMLCLMEVSA-N 2 0 331.529 3.474 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753160 1384379900 /nfs/dbraw/zinc/37/99/00/1384379900.db2.gz MUOGHNSQNUJLJA-ZFORQUDYSA-N 2 0 332.532 3.101 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170768931 1384382633 /nfs/dbraw/zinc/38/26/33/1384382633.db2.gz AMNHXXAIZMZIMV-QGZVFWFLSA-N 2 0 325.541 3.316 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170846922 1384397873 /nfs/dbraw/zinc/39/78/73/1384397873.db2.gz BMPDNHYIAIOIOW-IAGOWNOFSA-N 2 0 337.305 3.380 20 0 EGADRP Brc1ccc2c(c1)C[C@H]([NH2+]CC13CC[NH+](CC1)CC3)CC2 ZINC001170857412 1384399843 /nfs/dbraw/zinc/39/98/43/1384399843.db2.gz QNSJNCWYBIAGDO-QGZVFWFLSA-N 2 0 349.316 3.382 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]CC1CC(C)(C)C1)c1ccccc1 ZINC001170867380 1384401252 /nfs/dbraw/zinc/40/12/52/1384401252.db2.gz GAKZOPYYPHHREU-IBGZPJMESA-N 2 0 345.531 3.212 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-c2cccc(OC(F)(F)F)c2)nc1 ZINC001170903690 1384408517 /nfs/dbraw/zinc/40/85/17/1384408517.db2.gz KEUOAJAAPZZGSF-HNNXBMFYSA-N 2 0 340.349 3.083 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171118063 1384449147 /nfs/dbraw/zinc/44/91/47/1384449147.db2.gz CFOCQEHSKCVMNO-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001171160617 1384457638 /nfs/dbraw/zinc/45/76/38/1384457638.db2.gz HLZOTMXUMJLNOC-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001171173683 1384460713 /nfs/dbraw/zinc/46/07/13/1384460713.db2.gz FSFNKDFBIADVPA-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001171235654 1384476496 /nfs/dbraw/zinc/47/64/96/1384476496.db2.gz IGRDSXSYHBFJQP-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171235703 1384476680 /nfs/dbraw/zinc/47/66/80/1384476680.db2.gz IUGQWXJMHWMYOB-OALUTQOASA-N 2 0 337.552 3.195 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248647 1384478133 /nfs/dbraw/zinc/47/81/33/1384478133.db2.gz WWXSDLZWZVLUPF-APWZRJJASA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248411 1384478271 /nfs/dbraw/zinc/47/82/71/1384478271.db2.gz UOZSGXNTJRKUDT-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001316611207 1384481761 /nfs/dbraw/zinc/48/17/61/1384481761.db2.gz OHKMZZFADSISAA-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001171362187 1384502593 /nfs/dbraw/zinc/50/25/93/1384502593.db2.gz KUTWRQLMMASBSH-SJORKVTESA-N 2 0 346.519 3.074 20 0 EGADRP Fc1cccc2c1CC[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001171411407 1384515629 /nfs/dbraw/zinc/51/56/29/1384515629.db2.gz IRDBDCMYSNBXCI-GOSISDBHSA-N 2 0 346.490 3.164 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171539978 1384557087 /nfs/dbraw/zinc/55/70/87/1384557087.db2.gz WLYCWHLXVFCYHZ-VQIMIIECSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171539972 1384557337 /nfs/dbraw/zinc/55/73/37/1384557337.db2.gz WLYCWHLXVFCYHZ-APWZRJJASA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171546570 1384558808 /nfs/dbraw/zinc/55/88/08/1384558808.db2.gz LHOADPNECRRTNA-SJLPKXTDSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171545691 1384558936 /nfs/dbraw/zinc/55/89/36/1384558936.db2.gz FWCPBUKWPIVKDT-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001171578969 1384570608 /nfs/dbraw/zinc/57/06/08/1384570608.db2.gz NSKGNKNSCDTMLH-UHFFFAOYSA-N 2 0 341.499 3.168 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001171616834 1384581044 /nfs/dbraw/zinc/58/10/44/1384581044.db2.gz XKDFYBJGWHKLSZ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001171616832 1384581263 /nfs/dbraw/zinc/58/12/63/1384581263.db2.gz XKDFYBJGWHKLSZ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP COC(=O)c1ccc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171623610 1384583281 /nfs/dbraw/zinc/58/32/81/1384583281.db2.gz DIHDVQGLSKDCCB-UHFFFAOYSA-N 2 0 332.488 3.257 20 0 EGADRP COC(=O)c1cccc(C(=[NH2+])NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171625123 1384583979 /nfs/dbraw/zinc/58/39/79/1384583979.db2.gz CUBZQGZEUCJMLC-UHFFFAOYSA-N 2 0 331.460 3.040 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2(Cc3cccnc3)CCOCC2)CC1(C)C ZINC001171627499 1384584959 /nfs/dbraw/zinc/58/49/59/1384584959.db2.gz SJELBWDSTSAWOZ-UHFFFAOYSA-N 2 0 345.531 3.414 20 0 EGADRP CN(C)C(=O)c1ccc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171628943 1384585027 /nfs/dbraw/zinc/58/50/27/1384585027.db2.gz MYOLDSZEMIYSCJ-UHFFFAOYSA-N 2 0 345.531 3.172 20 0 EGADRP COC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637720 1384588253 /nfs/dbraw/zinc/58/82/53/1384588253.db2.gz NDWHWCDFTKNRQQ-YLJYHZDGSA-N 2 0 338.536 3.155 20 0 EGADRP COC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637718 1384588280 /nfs/dbraw/zinc/58/82/80/1384588280.db2.gz NDWHWCDFTKNRQQ-PXNSSMCTSA-N 2 0 338.536 3.155 20 0 EGADRP Cc1ccnc(O[C@@H]2CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171642164 1384590459 /nfs/dbraw/zinc/59/04/59/1384590459.db2.gz YPUJGLHYEQUAJP-QGZVFWFLSA-N 2 0 346.519 3.280 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646753 1384591081 /nfs/dbraw/zinc/59/10/81/1384591081.db2.gz PBTFCUMUWZUPHX-MSOLQXFVSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccc(CC[C@@H](C)[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001171682214 1384601310 /nfs/dbraw/zinc/60/13/10/1384601310.db2.gz SMBCWTDPSHBRTR-HXUWFJFHSA-N 2 0 343.559 3.276 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001171724984 1384614838 /nfs/dbraw/zinc/61/48/38/1384614838.db2.gz BJVLARASDWHQNN-UHFFFAOYSA-N 2 0 347.528 3.229 20 0 EGADRP C[C@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC001171731396 1384617399 /nfs/dbraw/zinc/61/73/99/1384617399.db2.gz AINPHKQRZLKPOK-URZNZNTCSA-N 2 0 327.516 3.254 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001171731886 1384618406 /nfs/dbraw/zinc/61/84/06/1384618406.db2.gz PMNFPHSRSYQQIU-MSOLQXFVSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC([NH3+])(CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171738235 1384620419 /nfs/dbraw/zinc/62/04/19/1384620419.db2.gz HZWYOIHGPYDNKL-YLJYHZDGSA-N 2 0 327.516 3.243 20 0 EGADRP C[C@H]1C[C@H](N(CC[NH3+])c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171739212 1384621151 /nfs/dbraw/zinc/62/11/51/1384621151.db2.gz PLLASLHDHLPAOO-JXFKEZNVSA-N 2 0 327.447 3.254 20 0 EGADRP COc1ccc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1C[NH3+] ZINC001171740312 1384621737 /nfs/dbraw/zinc/62/17/37/1384621737.db2.gz JAKMRDKTKKHSCZ-HNAYVOBHSA-N 2 0 325.456 3.229 20 0 EGADRP C[NH2+]CCc1c(C)nn([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC001171759845 1384627189 /nfs/dbraw/zinc/62/71/89/1384627189.db2.gz NPXUPOABXRALOJ-HNAYVOBHSA-N 2 0 326.488 3.097 20 0 EGADRP CCCCC[NH+]1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171761328 1384627397 /nfs/dbraw/zinc/62/73/97/1384627397.db2.gz CZAOOPFZELUQDT-CTNGQTDRSA-N 2 0 329.532 3.457 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001171770380 1384630909 /nfs/dbraw/zinc/63/09/09/1384630909.db2.gz PHHYHTKFXCEVGL-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969201 1384698860 /nfs/dbraw/zinc/69/88/60/1384698860.db2.gz UJMIUHPKWRTCRR-VQTJNVASSA-N 2 0 329.532 3.361 20 0 EGADRP CC1(C)C[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171973479 1384699292 /nfs/dbraw/zinc/69/92/92/1384699292.db2.gz ZICZKIOHFPWBBV-SFHVURJKSA-N 2 0 325.456 3.320 20 0 EGADRP CC1(C)C[C@@H](N(CC[NH3+])c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171981719 1384702125 /nfs/dbraw/zinc/70/21/25/1384702125.db2.gz CRQBWFVKZNBZQO-IBGZPJMESA-N 2 0 338.499 3.290 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171984465 1384704264 /nfs/dbraw/zinc/70/42/64/1384704264.db2.gz VYQQPBZDHQDQGH-VQTJNVASSA-N 2 0 339.483 3.148 20 0 EGADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064599 1384715499 /nfs/dbraw/zinc/71/54/99/1384715499.db2.gz DHGGJKGUVXHFBN-LJDSDSDDSA-N 2 0 328.500 3.321 20 0 EGADRP O=c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH]1 ZINC001172064345 1384715612 /nfs/dbraw/zinc/71/56/12/1384715612.db2.gz HEWPEZNRGUBPGT-OWZKRDHZSA-N 2 0 337.467 3.463 20 0 EGADRP COC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067913 1384716720 /nfs/dbraw/zinc/71/67/20/1384716720.db2.gz HUALCANQDRSODM-OQIJWPOYSA-N 2 0 330.472 3.113 20 0 EGADRP COCCOCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065420 1384716926 /nfs/dbraw/zinc/71/69/26/1384716926.db2.gz LMVGJAGDIPEYNN-MZADTFQBSA-N 2 0 346.515 3.215 20 0 EGADRP c1nc2c(n1[C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C[NH2+]CC2 ZINC001172069865 1384717867 /nfs/dbraw/zinc/71/78/67/1384717867.db2.gz UXGZMRAELUSFSR-BWTSREIZSA-N 2 0 336.483 3.287 20 0 EGADRP CN([C@@H]1CC[N@H+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074549 1384719890 /nfs/dbraw/zinc/71/98/90/1384719890.db2.gz JEIPQTZRCGRNPM-PLACYPQZSA-N 2 0 327.516 3.208 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(N3CCCOC3=O)c1)C2 ZINC001172110952 1384730022 /nfs/dbraw/zinc/73/00/22/1384730022.db2.gz RKLORWYTTDZRRJ-BCDXTJNWSA-N 2 0 343.471 3.138 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001172125143 1384735826 /nfs/dbraw/zinc/73/58/26/1384735826.db2.gz ORUMSMHFYLSEEG-ANWOVWILSA-N 3 0 339.527 3.066 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172160203 1384740140 /nfs/dbraw/zinc/74/01/40/1384740140.db2.gz SFOZTXIBRBOUIQ-WTGUMLROSA-N 2 0 347.547 3.292 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172160195 1384740153 /nfs/dbraw/zinc/74/01/53/1384740153.db2.gz SFOZTXIBRBOUIQ-LWYYNNOASA-N 2 0 347.547 3.292 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001172246837 1384755003 /nfs/dbraw/zinc/75/50/03/1384755003.db2.gz WLKSCNAVSIHTPE-GOSISDBHSA-N 2 0 337.895 3.277 20 0 EGADRP COCCC[NH+]1CCC(n2cc(CC[NH3+])c3c2cccc3Cl)CC1 ZINC001172248552 1384755698 /nfs/dbraw/zinc/75/56/98/1384755698.db2.gz AEXFYRLWCZDOAP-UHFFFAOYSA-N 2 0 349.906 3.469 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(Cc3ccc(OC)cc3)CC2)CC1 ZINC001172248608 1384755862 /nfs/dbraw/zinc/75/58/62/1384755862.db2.gz KQAYTCONFOWRFE-UHFFFAOYSA-N 2 0 346.515 3.108 20 0 EGADRP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001317004234 1384763279 /nfs/dbraw/zinc/76/32/79/1384763279.db2.gz QLABBPVOBVXVSI-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172339580 1384773828 /nfs/dbraw/zinc/77/38/28/1384773828.db2.gz PBIAIRNQTVTFSK-MOPGFXCFSA-N 2 0 340.552 3.405 20 0 EGADRP CC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172400728 1384785035 /nfs/dbraw/zinc/78/50/35/1384785035.db2.gz VYNOKJCTIPOLPV-QHAWAJNXSA-N 2 0 345.531 3.429 20 0 EGADRP CC(C)COCC[C@H](C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172468049 1384798920 /nfs/dbraw/zinc/79/89/20/1384798920.db2.gz VEDHYZNORZAGHT-ROUUACIJSA-N 2 0 340.552 3.449 20 0 EGADRP CC(C)COCC[C@H](C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172468051 1384798986 /nfs/dbraw/zinc/79/89/86/1384798986.db2.gz VEDHYZNORZAGHT-ZWKOTPCHSA-N 2 0 340.552 3.449 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172602108 1384816723 /nfs/dbraw/zinc/81/67/23/1384816723.db2.gz GNPDGGBYGJUORU-MKXGPGLRSA-N 2 0 336.520 3.480 20 0 EGADRP CC1(C)CC([NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)CC(C)(C)O1 ZINC001172655644 1384826571 /nfs/dbraw/zinc/82/65/71/1384826571.db2.gz APNZAHIQXIUZDA-QZTJIDSGSA-N 2 0 343.515 3.181 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172663244 1384829154 /nfs/dbraw/zinc/82/91/54/1384829154.db2.gz AVKLVSUWVFUQTF-ICSRJNTNSA-N 2 0 345.531 3.278 20 0 EGADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172849898 1384865446 /nfs/dbraw/zinc/86/54/46/1384865446.db2.gz QVQNUHOMNAMNCI-CYBMUJFWSA-N 2 0 340.870 3.111 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)N(CCC[NH3+])CCC[NH+](C)C ZINC001172860031 1384866996 /nfs/dbraw/zinc/86/69/96/1384866996.db2.gz LZZDJHCRKVVPQU-CQSZACIVSA-N 2 0 329.891 3.013 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001172953561 1384888607 /nfs/dbraw/zinc/88/86/07/1384888607.db2.gz BRAVMKMMTYRQPJ-OAHLLOKOSA-N 2 0 339.524 3.225 20 0 EGADRP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173089473 1384911756 /nfs/dbraw/zinc/91/17/56/1384911756.db2.gz WTPDDIFRRUPIKV-AEGPPILISA-N 2 0 328.378 3.010 20 0 EGADRP CCCOC1CCC([NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001173093822 1384913412 /nfs/dbraw/zinc/91/34/12/1384913412.db2.gz CQLHJIHYPYNOII-UHFFFAOYSA-N 2 0 334.504 3.454 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3ccc(OC)cn3)CC2)CC1 ZINC001173107056 1384916047 /nfs/dbraw/zinc/91/60/47/1384916047.db2.gz VDWWVMUHRJFDMM-UHFFFAOYSA-N 2 0 331.504 3.364 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC001173107153 1384916155 /nfs/dbraw/zinc/91/61/55/1384916155.db2.gz XGCVOISLMFHTEF-UHFFFAOYSA-N 2 0 332.414 3.188 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2(Cc3ccncc3)CCOCC2)CC1 ZINC001173107215 1384916242 /nfs/dbraw/zinc/91/62/42/1384916242.db2.gz YTOBNCQYXTVPCW-UHFFFAOYSA-N 2 0 345.531 3.416 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2(COC)Cc3ccccc3C2)CC1 ZINC001173109074 1384916542 /nfs/dbraw/zinc/91/65/42/1384916542.db2.gz WNHQGCCATJMUGB-UHFFFAOYSA-N 2 0 330.516 3.413 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC1 ZINC001173109855 1384916784 /nfs/dbraw/zinc/91/67/84/1384916784.db2.gz JADAGKNJLLPCSR-OFVLBHHSSA-N 2 0 349.563 3.457 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H]([C@@H](N)C(F)(F)F)C2)CC1 ZINC001173109756 1384916882 /nfs/dbraw/zinc/91/68/82/1384916882.db2.gz GFCGOOUUGBNLKQ-PRLABOORSA-N 2 0 335.458 3.241 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)CC1 ZINC001173113052 1384917916 /nfs/dbraw/zinc/91/79/16/1384917916.db2.gz GLTSHZSZTUYLJX-ACBHZAAOSA-N 2 0 346.519 3.281 20 0 EGADRP [NH3+]C1(c2ccccc2F)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173126069 1384919232 /nfs/dbraw/zinc/91/92/32/1384919232.db2.gz KLEHQQPFJRREPO-CYBMUJFWSA-N 2 0 331.460 3.090 20 0 EGADRP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)CO2 ZINC001173149381 1384924617 /nfs/dbraw/zinc/92/46/17/1384924617.db2.gz CFZLPDSTNMCYON-GOSISDBHSA-N 2 0 344.499 3.243 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC001173150539 1384925368 /nfs/dbraw/zinc/92/53/68/1384925368.db2.gz MONXLIDZEMELTD-KRWDZBQOSA-N 2 0 344.499 3.385 20 0 EGADRP C[C@H](CC(c1ccccc1)c1ccccc1)[NH+]1CCN(CC[NH3+])CC1 ZINC001173204518 1384935599 /nfs/dbraw/zinc/93/55/99/1384935599.db2.gz HPYPZDLGWWJIDU-LJQANCHMSA-N 2 0 337.511 3.173 20 0 EGADRP CC[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001173266895 1384947795 /nfs/dbraw/zinc/94/77/95/1384947795.db2.gz IHWFQLWKBIKHME-DLBZAZTESA-N 2 0 341.540 3.391 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H](C)CSCC)CC1 ZINC001173314943 1384956265 /nfs/dbraw/zinc/95/62/65/1384956265.db2.gz MTPKYIXZXQONPG-SFHVURJKSA-N 2 0 329.598 3.258 20 0 EGADRP CC[N@@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cc(OC)ccc32)C1 ZINC001173368708 1384965565 /nfs/dbraw/zinc/96/55/65/1384965565.db2.gz QSMCQBYVUCSTNA-INIZCTEOSA-N 2 0 327.472 3.384 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201450 1384978098 /nfs/dbraw/zinc/97/80/98/1384978098.db2.gz AWNLSYWXYYAMMB-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]C1CC[NH+](CC(C)C)CC1)CC2 ZINC001173608964 1384987729 /nfs/dbraw/zinc/98/77/29/1384987729.db2.gz IWHVDYWWPRRQPS-KGXSXCIVSA-N 2 0 336.520 3.208 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001173634076 1384992816 /nfs/dbraw/zinc/99/28/16/1384992816.db2.gz OBCBTEGNRCWLCX-CRAIPNDOSA-N 2 0 348.462 3.197 20 0 EGADRP C[N@H+](CCC(=O)NC1CCC([NH2+]CC2CC2)CC1)C1CCCCC1 ZINC001317219283 1384999391 /nfs/dbraw/zinc/99/93/91/1384999391.db2.gz WAZWYVZWGJQITI-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1CC([NH2+]CCC[NH+]2CCCC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173671953 1385000829 /nfs/dbraw/zinc/00/08/29/1385000829.db2.gz IJNLWRYPWCATAQ-HZPDHXFCSA-N 2 0 339.524 3.238 20 0 EGADRP C[N@H+](CC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1)CC(C)(C)C ZINC001317226337 1385005817 /nfs/dbraw/zinc/00/58/17/1385005817.db2.gz KQGDMDQFJLRMLP-UHFFFAOYSA-N 2 0 345.531 3.182 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@H](C)CC(C)(C)CC[NH3+])cc1 ZINC001173720231 1385009487 /nfs/dbraw/zinc/00/94/87/1385009487.db2.gz JWTSXNMZYKIXIN-HZPDHXFCSA-N 2 0 334.504 3.395 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001173728349 1385010821 /nfs/dbraw/zinc/01/08/21/1385010821.db2.gz RYUVZXIMXZUREJ-KRWDZBQOSA-N 2 0 346.515 3.456 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1ccccc1CN1CC[NH+](C)CC1 ZINC001173929946 1385032834 /nfs/dbraw/zinc/03/28/34/1385032834.db2.gz NGIGYHLVIPISME-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001317279918 1385050033 /nfs/dbraw/zinc/05/00/33/1385050033.db2.gz IRHAYGIPXGNMNH-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H](CCNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001317404570 1385117964 /nfs/dbraw/zinc/11/79/64/1385117964.db2.gz XCRRJALWIFDYCR-KXBFYZLASA-N 2 0 349.494 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649777 1385129857 /nfs/dbraw/zinc/12/98/57/1385129857.db2.gz JLLDADJMRUMEJZ-SFHVURJKSA-N 2 0 345.531 3.326 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001174949380 1385173479 /nfs/dbraw/zinc/17/34/79/1385173479.db2.gz QUPFDGALEPDQJY-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174963005 1385175563 /nfs/dbraw/zinc/17/55/63/1385175563.db2.gz WUVULYAMLJTTFE-DVBCCOPCSA-N 2 0 325.541 3.339 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175049877 1385186360 /nfs/dbraw/zinc/18/63/60/1385186360.db2.gz YRWINFPRMZBWHR-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001175108579 1385196432 /nfs/dbraw/zinc/19/64/32/1385196432.db2.gz UFFFACMWDWHIDQ-IEBWSBKVSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255035 1385230208 /nfs/dbraw/zinc/23/02/08/1385230208.db2.gz BVVXYNWRABVVRP-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256224 1385230744 /nfs/dbraw/zinc/23/07/44/1385230744.db2.gz JFFNWNCRFUEBFE-IRXDYDNUSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263725 1385233818 /nfs/dbraw/zinc/23/38/18/1385233818.db2.gz QUSQMLLKNVCKNY-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264783 1385234590 /nfs/dbraw/zinc/23/45/90/1385234590.db2.gz WCCYMXVNLCSFJQ-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264785 1385234759 /nfs/dbraw/zinc/23/47/59/1385234759.db2.gz WCCYMXVNLCSFJQ-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295552 1385242570 /nfs/dbraw/zinc/24/25/70/1385242570.db2.gz GUGFBFIPGDFUBB-GOSISDBHSA-N 2 0 347.547 3.429 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317536399 1385267631 /nfs/dbraw/zinc/26/76/31/1385267631.db2.gz NVFOGDUVJJHCMM-RTBURBONSA-N 2 0 343.515 3.062 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC001335968307 1388979070 /nfs/dbraw/zinc/97/90/70/1388979070.db2.gz AYGQQHCOMTYOLN-GOSISDBHSA-N 2 0 349.478 3.007 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175730676 1385387830 /nfs/dbraw/zinc/38/78/30/1385387830.db2.gz OMCHRVRFPVIERG-KRWDZBQOSA-N 2 0 333.520 3.282 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001175786723 1385405613 /nfs/dbraw/zinc/40/56/13/1385405613.db2.gz OHWOICCENRMHJC-GOSISDBHSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175871909 1385426464 /nfs/dbraw/zinc/42/64/64/1385426464.db2.gz DRROBPNFCFGRFP-IBGZPJMESA-N 2 0 345.531 3.183 20 0 EGADRP COc1cccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Cl ZINC001175894222 1385430858 /nfs/dbraw/zinc/43/08/58/1385430858.db2.gz FFXLGEQYBQOLAZ-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176024899 1385463937 /nfs/dbraw/zinc/46/39/37/1385463937.db2.gz TYMXVPMJMHMVOL-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165402 1385501316 /nfs/dbraw/zinc/50/13/16/1385501316.db2.gz KPELKDJVZWAFJY-SJLPKXTDSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176183466 1385504340 /nfs/dbraw/zinc/50/43/40/1385504340.db2.gz CFURYUIVLTUWRD-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001176230271 1385520649 /nfs/dbraw/zinc/52/06/49/1385520649.db2.gz FRBWTGSDTQZMQS-IBGZPJMESA-N 2 0 347.547 3.492 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176278172 1385535919 /nfs/dbraw/zinc/53/59/19/1385535919.db2.gz IDQJKQXGPXYTOB-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176285243 1385538292 /nfs/dbraw/zinc/53/82/92/1385538292.db2.gz NYIJQPYMMPOPTK-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001176286411 1385539901 /nfs/dbraw/zinc/53/99/01/1385539901.db2.gz VNNPPWWZFDQUFS-IBGZPJMESA-N 2 0 347.547 3.144 20 0 EGADRP C[NH+](C)Cc1ccc(-n2cc(N)c(=[NH2+])c(-c3cccc(F)c3)c2)cc1 ZINC001176290792 1385540480 /nfs/dbraw/zinc/54/04/80/1385540480.db2.gz RRCQXQHETHNHIQ-UHFFFAOYSA-N 2 0 336.414 3.407 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)cc1C ZINC001176318868 1385550219 /nfs/dbraw/zinc/55/02/19/1385550219.db2.gz OONZETSWZIANPH-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001317973487 1385593516 /nfs/dbraw/zinc/59/35/16/1385593516.db2.gz XXFOWJVVMVIXBZ-MJGOQNOKSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564134 1385626092 /nfs/dbraw/zinc/62/60/92/1385626092.db2.gz LWMXLKCPDFYUAX-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+][C@H]1CCc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001176582563 1385631326 /nfs/dbraw/zinc/63/13/26/1385631326.db2.gz HPEOJZKDIGTTLC-PXNSSMCTSA-N 2 0 343.515 3.034 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176737818 1385676250 /nfs/dbraw/zinc/67/62/50/1385676250.db2.gz NHGWJKOWVQTMDO-KRWDZBQOSA-N 2 0 333.520 3.427 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001176758807 1385686053 /nfs/dbraw/zinc/68/60/53/1385686053.db2.gz FMLPEENYDYYSON-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884928 1385732061 /nfs/dbraw/zinc/73/20/61/1385732061.db2.gz WGPSVXUQOUTWRC-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CC2CCCCCC2)c1 ZINC001176890228 1385734342 /nfs/dbraw/zinc/73/43/42/1385734342.db2.gz NMRZXZCWNJMMDP-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176890636 1385734958 /nfs/dbraw/zinc/73/49/58/1385734958.db2.gz ZDUMPJTVSKZTBI-QGZVFWFLSA-N 2 0 333.520 3.140 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001176986013 1385764714 /nfs/dbraw/zinc/76/47/14/1385764714.db2.gz AZXKKLXDDASCOX-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176999515 1385768904 /nfs/dbraw/zinc/76/89/04/1385768904.db2.gz ZDWZDMAJRSDWHX-ICSRJNTNSA-N 2 0 345.531 3.272 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC001176998810 1385769364 /nfs/dbraw/zinc/76/93/64/1385769364.db2.gz GDKLSXWEXSEQKU-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176999514 1385769422 /nfs/dbraw/zinc/76/94/22/1385769422.db2.gz ZDWZDMAJRSDWHX-AZUAARDMSA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1ccc(C)cc1 ZINC001698619621 1406255622 /nfs/dbraw/zinc/25/56/22/1406255622.db2.gz XFPPQSFSSSPGIU-HXUWFJFHSA-N 2 0 345.531 3.100 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001318958776 1385898092 /nfs/dbraw/zinc/89/80/92/1385898092.db2.gz ISRRGFUDFWUNSE-SOAMZJECSA-N 2 0 345.531 3.413 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]CC2CCCC2)o1 ZINC001177317886 1385911971 /nfs/dbraw/zinc/91/19/71/1385911971.db2.gz KHUVDCKRJLZOTN-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)c1cccc(F)c1 ZINC001177336760 1385919112 /nfs/dbraw/zinc/91/91/12/1385919112.db2.gz WECSEOFRGIEBIJ-KRWDZBQOSA-N 2 0 349.494 3.249 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)[NH+](C)C ZINC001177348444 1385923433 /nfs/dbraw/zinc/92/34/33/1385923433.db2.gz HYIFBNOWSRDPDW-QZTJIDSGSA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001177348889 1385924158 /nfs/dbraw/zinc/92/41/58/1385924158.db2.gz QCFVTVYMGOOSEN-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)CCC(=O)N(CCC[NH2+]CC1=CCCCC1)CC1CCCC1 ZINC001177404937 1385944715 /nfs/dbraw/zinc/94/47/15/1385944715.db2.gz DPJOMRCMTRDRPF-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC[C@@H](C(=O)N(CCC[NH2+]CCF)CC1CCCC1)[NH+](CC)CC ZINC001177412427 1385946704 /nfs/dbraw/zinc/94/67/04/1385946704.db2.gz ASJAXNQNERAGJK-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP C[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001177416564 1385949691 /nfs/dbraw/zinc/94/96/91/1385949691.db2.gz SBURKPHMWDGVKO-SVFBPWRDSA-N 2 0 329.532 3.219 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001319080865 1385955137 /nfs/dbraw/zinc/95/51/37/1385955137.db2.gz PWSJQIVCZRYNPU-AQNXPRMDSA-N 2 0 345.531 3.305 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001177440156 1385957294 /nfs/dbraw/zinc/95/72/94/1385957294.db2.gz BDRRQTRDTRHHPW-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)CC(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177445251 1385959175 /nfs/dbraw/zinc/95/91/75/1385959175.db2.gz FMCADKKJKLQMNH-YRNVUSSQSA-N 2 0 343.943 3.079 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177456668 1385963028 /nfs/dbraw/zinc/96/30/28/1385963028.db2.gz VZVCMTYXEITGAN-GOSISDBHSA-N 2 0 339.568 3.373 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488876 1385975928 /nfs/dbraw/zinc/97/59/28/1385975928.db2.gz NQPZTOFVDSLNHK-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC001178045279 1386114647 /nfs/dbraw/zinc/11/46/47/1386114647.db2.gz HVHLQAFQOUZAAB-VQIMIIECSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001178045345 1386114759 /nfs/dbraw/zinc/11/47/59/1386114759.db2.gz JBBQKUAHQLYFAL-VQIMIIECSA-N 2 0 349.494 3.247 20 0 EGADRP CCc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001178045639 1386115898 /nfs/dbraw/zinc/11/58/98/1386115898.db2.gz QOMUBVRMWDWMFI-FQEVSTJZSA-N 2 0 345.531 3.109 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001319559479 1386178064 /nfs/dbraw/zinc/17/80/64/1386178064.db2.gz SBSBPMFZTPMMGM-DLBZAZTESA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178467747 1386226440 /nfs/dbraw/zinc/22/64/40/1386226440.db2.gz HKLPZYOEUZNYMN-SFHVURJKSA-N 2 0 343.531 3.265 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1=CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502053 1386237094 /nfs/dbraw/zinc/23/70/94/1386237094.db2.gz HLZKGQZEKDMQNE-HXUWFJFHSA-N 2 0 347.547 3.095 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178612115 1386262463 /nfs/dbraw/zinc/26/24/63/1386262463.db2.gz BUQHUEIYSZGGRQ-DVBCCOPCSA-N 2 0 343.531 3.289 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H](C2CC2)[NH+](C)C)cc1 ZINC001178698687 1386281784 /nfs/dbraw/zinc/28/17/84/1386281784.db2.gz QUCSLUYGJDWNFW-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001178733327 1386292429 /nfs/dbraw/zinc/29/24/29/1386292429.db2.gz MZZUINZDKGVRHA-CTWPCTMYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178733301 1386292823 /nfs/dbraw/zinc/29/28/23/1386292823.db2.gz LZYGIYCVZPIXSX-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CCCC1)[NH+](C)C ZINC001178755363 1386294944 /nfs/dbraw/zinc/29/49/44/1386294944.db2.gz SGLWNRBYNDEJKW-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810291 1386314497 /nfs/dbraw/zinc/31/44/97/1386314497.db2.gz BHJBENBGEDMPBW-RTBURBONSA-N 2 0 337.552 3.460 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001178827397 1386318932 /nfs/dbraw/zinc/31/89/32/1386318932.db2.gz ILBGQYCUENMNQC-IBGZPJMESA-N 2 0 349.494 3.076 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001178853954 1386329698 /nfs/dbraw/zinc/32/96/98/1386329698.db2.gz QONPFCVZFKXWLZ-CMDGGOBGSA-N 2 0 325.541 3.339 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178939082 1386355270 /nfs/dbraw/zinc/35/52/70/1386355270.db2.gz YUHICSQRPLNSAU-ARJAWSKDSA-N 2 0 335.536 3.237 20 0 EGADRP O=C(NCCCCCC[NH2+]Cc1ccccc1)C12CCC[NH+]1CCC2 ZINC001178938954 1386355310 /nfs/dbraw/zinc/35/53/10/1386355310.db2.gz SDPLYQIPZKNWBF-UHFFFAOYSA-N 2 0 343.515 3.081 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178939083 1386355345 /nfs/dbraw/zinc/35/53/45/1386355345.db2.gz YUHICSQRPLNSAU-ONEGZZNKSA-N 2 0 335.536 3.237 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001178943232 1386356446 /nfs/dbraw/zinc/35/64/46/1386356446.db2.gz PWWMKGQRAMNGHA-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001179032028 1386382269 /nfs/dbraw/zinc/38/22/69/1386382269.db2.gz BLMQGWTVOFTWED-YJBOKZPZSA-N 2 0 328.460 3.026 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C)[NH+](C)C ZINC001319955027 1386415232 /nfs/dbraw/zinc/41/52/32/1386415232.db2.gz BTWVIEQDZPUXEF-ROUUACIJSA-N 2 0 339.568 3.273 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234792 1386428142 /nfs/dbraw/zinc/42/81/42/1386428142.db2.gz ZVTLDYUAXCHZGT-HXIOPBFGSA-N 2 0 347.547 3.186 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CCC(C)C)C1 ZINC001179358088 1386462885 /nfs/dbraw/zinc/46/28/85/1386462885.db2.gz UVNAPJAZFNVZNM-IBGZPJMESA-N 2 0 339.568 3.421 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)c1occc1C[NH+](C)C ZINC001179395170 1386473975 /nfs/dbraw/zinc/47/39/75/1386473975.db2.gz FAZVZZZGQNQAGO-MRXNPFEDSA-N 2 0 337.508 3.267 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409163 1386478047 /nfs/dbraw/zinc/47/80/47/1386478047.db2.gz HPSQEUMBVSVMRN-YSMJTFFMSA-N 2 0 335.536 3.042 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)c1ccccc1 ZINC001179421424 1386480042 /nfs/dbraw/zinc/48/00/42/1386480042.db2.gz XAHHIOZMSRBJDA-WDSOQIARSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1 ZINC001179461306 1386486865 /nfs/dbraw/zinc/48/68/65/1386486865.db2.gz GGUIJKCTMJGSSQ-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCCCCNC(=O)CC[NH+](C)C)c(C)c1 ZINC001179461120 1386487051 /nfs/dbraw/zinc/48/70/51/1386487051.db2.gz AUPFHJRICIEZPG-UHFFFAOYSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001179609500 1386531033 /nfs/dbraw/zinc/53/10/33/1386531033.db2.gz SAFTZFSFTRABRV-IBGZPJMESA-N 2 0 333.520 3.101 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C)CC1 ZINC001179825198 1386597209 /nfs/dbraw/zinc/59/72/09/1386597209.db2.gz GRNIQALAZABSKV-WMZOPIPTSA-N 2 0 337.552 3.122 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001179861463 1386609699 /nfs/dbraw/zinc/60/96/99/1386609699.db2.gz XCVUYFRKUNKQSD-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)[C@@H]1C ZINC001179903326 1386623036 /nfs/dbraw/zinc/62/30/36/1386623036.db2.gz IEFFUTMCBBZGTI-BZSNNMDCSA-N 2 0 343.531 3.216 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001179958794 1386647557 /nfs/dbraw/zinc/64/75/57/1386647557.db2.gz NFQOZKLATFESKS-IHPCNDPISA-N 2 0 345.531 3.449 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@@H]1C ZINC001179978509 1386656548 /nfs/dbraw/zinc/65/65/48/1386656548.db2.gz DQHLPVLBEZSCPE-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2F)[C@@H]1C ZINC001179983125 1386658493 /nfs/dbraw/zinc/65/84/93/1386658493.db2.gz LXMUUKATVZLJER-GJYPPUQNSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001179987151 1386659237 /nfs/dbraw/zinc/65/92/37/1386659237.db2.gz MFLIFYOPVIOKFS-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001179988765 1386659757 /nfs/dbraw/zinc/65/97/57/1386659757.db2.gz MEBOACRRAJINOW-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065401 1386685591 /nfs/dbraw/zinc/68/55/91/1386685591.db2.gz QAMHHCPZJARZTH-RTBURBONSA-N 2 0 337.552 3.339 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001180077493 1386690232 /nfs/dbraw/zinc/69/02/32/1386690232.db2.gz VSAQYTVIGWZBMZ-UHFFFAOYSA-N 2 0 348.535 3.464 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](C)CC2CCCCC2)CC1 ZINC001180207991 1386733209 /nfs/dbraw/zinc/73/32/09/1386733209.db2.gz DAGUALIAUYQHSM-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001180264228 1386749802 /nfs/dbraw/zinc/74/98/02/1386749802.db2.gz CWAKMSRUIMAYNG-FQEVSTJZSA-N 2 0 345.531 3.021 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC001180264421 1386750422 /nfs/dbraw/zinc/75/04/22/1386750422.db2.gz DUEDWMABIXBFJR-FUHWJXTLSA-N 2 0 349.494 3.105 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001180278826 1386753657 /nfs/dbraw/zinc/75/36/57/1386753657.db2.gz ONSOQAPNTOEVCP-GOSISDBHSA-N 2 0 331.504 3.110 20 0 EGADRP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001180310417 1386761008 /nfs/dbraw/zinc/76/10/08/1386761008.db2.gz GZABXPDMUSZAML-PBHICJAKSA-N 2 0 344.421 3.464 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001180369676 1386776866 /nfs/dbraw/zinc/77/68/66/1386776866.db2.gz RSQLEJVARSKYNF-SDNWHVSQSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001180369790 1386776902 /nfs/dbraw/zinc/77/69/02/1386776902.db2.gz XWWLCJLQQKPKQK-UHFFFAOYSA-N 2 0 347.547 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181441874 1386994737 /nfs/dbraw/zinc/99/47/37/1386994737.db2.gz RPMDGTAALCLXHY-YFVAEKQCSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H](N(CC[NH+](C)C)CC[NH+](C)C)c2ccsc2S1 ZINC001181498288 1387005326 /nfs/dbraw/zinc/00/53/26/1387005326.db2.gz UYCIAAKTOVBCSE-DZGCQCFKSA-N 2 0 327.563 3.099 20 0 EGADRP C[C@H]1C[C@H](N(CC[NH+](C)C)CC[NH+](C)C)c2ccsc2S1 ZINC001181498296 1387005670 /nfs/dbraw/zinc/00/56/70/1387005670.db2.gz UYCIAAKTOVBCSE-ZFWWWQNUSA-N 2 0 327.563 3.099 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cncc(Cl)c1Cl ZINC001181544811 1387013170 /nfs/dbraw/zinc/01/31/70/1387013170.db2.gz ZPXHMIJLDACYGE-UHFFFAOYSA-N 2 0 347.334 3.094 20 0 EGADRP Cc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1Cl ZINC001181544269 1387013890 /nfs/dbraw/zinc/01/38/90/1387013890.db2.gz OHTPVDDNOLHBQY-UHFFFAOYSA-N 2 0 325.928 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001322051127 1387039624 /nfs/dbraw/zinc/03/96/24/1387039624.db2.gz WYKGXRQAAVTXPN-HNAYVOBHSA-N 2 0 349.494 3.029 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728899 1387046488 /nfs/dbraw/zinc/04/64/88/1387046488.db2.gz TWJJRUDJYVIGMB-WSTZPKSXSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCCCC1)[NH+](C)C ZINC001322243195 1387116567 /nfs/dbraw/zinc/11/65/67/1387116567.db2.gz CZEXNKATZUSFNY-WMZOPIPTSA-N 2 0 325.541 3.124 20 0 EGADRP O=C(NCC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182559446 1387187672 /nfs/dbraw/zinc/18/76/72/1387187672.db2.gz MDDHZZPJNXVITK-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182806487 1387227600 /nfs/dbraw/zinc/22/76/00/1387227600.db2.gz GQMRGGRHGHQYPI-QWFCFKBJSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C1)C(C)C ZINC001182910978 1387245153 /nfs/dbraw/zinc/24/51/53/1387245153.db2.gz SCVAYZCIHHIPOL-QWFCFKBJSA-N 2 0 339.568 3.083 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001329570161 1389160251 /nfs/dbraw/zinc/16/02/51/1389160251.db2.gz CJEGAPPLKSPINQ-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001329622375 1389187979 /nfs/dbraw/zinc/18/79/79/1389187979.db2.gz DAEUZLNCVBCRQI-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccc(C)cc1 ZINC001329936215 1389265287 /nfs/dbraw/zinc/26/52/87/1389265287.db2.gz JYWUWQQOWODEKT-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001330030884 1389288892 /nfs/dbraw/zinc/28/88/92/1389288892.db2.gz HKLCPFVHMDBCQD-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001330086300 1389305382 /nfs/dbraw/zinc/30/53/82/1389305382.db2.gz PUFBBSZPPJWXEW-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001698723760 1406371688 /nfs/dbraw/zinc/37/16/88/1406371688.db2.gz ZZRWXJQBXOVTJV-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CCCC(C)(C)C)CC1 ZINC001331059103 1389614569 /nfs/dbraw/zinc/61/45/69/1389614569.db2.gz JFPUXRLQMMGPOW-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCCCCC1 ZINC001331643241 1389841660 /nfs/dbraw/zinc/84/16/60/1389841660.db2.gz GUUAUCXVDCCYMF-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH2+][C@@H](C)CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001332173596 1390020324 /nfs/dbraw/zinc/02/03/24/1390020324.db2.gz KTNWQEFBGMYVQL-KRWDZBQOSA-N 2 0 339.483 3.046 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C)c1ccccc1 ZINC001332840704 1390198485 /nfs/dbraw/zinc/19/84/85/1390198485.db2.gz GGQCARGVMIWCKL-SJLPKXTDSA-N 2 0 345.531 3.210 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC001333018665 1390237443 /nfs/dbraw/zinc/23/74/43/1390237443.db2.gz XDJVODAWXBVQLZ-UHFFFAOYSA-N 2 0 347.503 3.258 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CCCC2)cc1F)[NH+](C)C ZINC001333479653 1390314903 /nfs/dbraw/zinc/31/49/03/1390314903.db2.gz LDEZMNULBUHIJX-IBGZPJMESA-N 2 0 349.494 3.062 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC001340841937 1390382540 /nfs/dbraw/zinc/38/25/40/1390382540.db2.gz BAWVGQWQDIAZLN-WDSOQIARSA-N 2 0 329.488 3.040 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340871567 1390390159 /nfs/dbraw/zinc/39/01/59/1390390159.db2.gz IJOHFSMLHUTTTP-NUJGCVRESA-N 2 0 345.531 3.023 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[N@H+]1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001333839730 1390419640 /nfs/dbraw/zinc/41/96/40/1390419640.db2.gz BWMUIOSBKDINJP-IJEWVQPXSA-N 2 0 346.906 3.389 20 0 EGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001341620515 1390511084 /nfs/dbraw/zinc/51/10/84/1390511084.db2.gz YMHJRDMAQSHBQZ-VDGAXYAQSA-N 2 0 347.547 3.211 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc1 ZINC001341645564 1390513433 /nfs/dbraw/zinc/51/34/33/1390513433.db2.gz ZOHNJYHJVPIJAZ-QGZVFWFLSA-N 2 0 335.492 3.109 20 0 EGADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCCC1 ZINC001341642997 1390513533 /nfs/dbraw/zinc/51/35/33/1390513533.db2.gz AABFUECGLDLSNP-LJQANCHMSA-N 2 0 335.536 3.055 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001341717953 1390520885 /nfs/dbraw/zinc/52/08/85/1390520885.db2.gz WHWSFWXQDGTCLA-YLJYHZDGSA-N 2 0 345.531 3.313 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001342063168 1390566749 /nfs/dbraw/zinc/56/67/49/1390566749.db2.gz MBFKESAJRGLIJP-YQVWRLOYSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cn3nc(Cl)c4ccccc43)C[C@H]2C1 ZINC001334747261 1390579176 /nfs/dbraw/zinc/57/91/76/1390579176.db2.gz HFUQHQDSADKXNQ-RRFJBIMHSA-N 2 0 332.879 3.309 20 0 EGADRP CC[NH+](CC)CC[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC001346474572 1390943794 /nfs/dbraw/zinc/94/37/94/1390943794.db2.gz ZIARTUJSDGAAQR-PMACEKPBSA-N 2 0 339.483 3.276 20 0 EGADRP Cn1c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC001349325268 1391320879 /nfs/dbraw/zinc/32/08/79/1391320879.db2.gz NELYYRIXSCIOER-UHFFFAOYSA-N 2 0 332.879 3.192 20 0 EGADRP [NH3+]Cc1nccnc1NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001354110230 1392120838 /nfs/dbraw/zinc/12/08/38/1392120838.db2.gz YJXXTXWCGWIQFW-INIZCTEOSA-N 2 0 345.878 3.055 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001698845543 1406546352 /nfs/dbraw/zinc/54/63/52/1406546352.db2.gz KUOZOZOXPGJFBQ-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001479334154 1392218090 /nfs/dbraw/zinc/21/80/90/1392218090.db2.gz YTGRKVHHEVRERK-HDICACEKSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001479826886 1392414436 /nfs/dbraw/zinc/41/44/36/1392414436.db2.gz OXPCXYIPKPITFB-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001479905021 1392472136 /nfs/dbraw/zinc/47/21/36/1392472136.db2.gz MTUMOVMYXRDDRF-IEBWSBKVSA-N 2 0 343.515 3.121 20 0 EGADRP CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001698860158 1406570038 /nfs/dbraw/zinc/57/00/38/1406570038.db2.gz HBBTZELYDUEQTG-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CC3CCC3)C2)CCCCC1 ZINC001480289678 1392661497 /nfs/dbraw/zinc/66/14/97/1392661497.db2.gz HQZDCAQWVDEGDG-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001480333166 1392692118 /nfs/dbraw/zinc/69/21/18/1392692118.db2.gz WAZWLKSEMIBIGI-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001480537050 1392783314 /nfs/dbraw/zinc/78/33/14/1392783314.db2.gz AWYYOFNJVSIZBB-JXFKEZNVSA-N 2 0 341.499 3.083 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001480548735 1392788636 /nfs/dbraw/zinc/78/86/36/1392788636.db2.gz NOLDDBIIGQCIMY-BEFAXECRSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1c(C(=O)NCC[N@@H+](C)C/C=C/c2ccccc2)ccc2c[nH+]cn21 ZINC001480884486 1392998676 /nfs/dbraw/zinc/99/86/76/1392998676.db2.gz VAAOPZDPFOUFLT-RMKNXTFCSA-N 2 0 348.450 3.018 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001480901436 1393007083 /nfs/dbraw/zinc/00/70/83/1393007083.db2.gz PGTMNMVBHZYHCS-PXNSSMCTSA-N 2 0 345.531 3.403 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001480913082 1393016731 /nfs/dbraw/zinc/01/67/31/1393016731.db2.gz IKDIPZBXRFZDTK-KRWDZBQOSA-N 2 0 333.520 3.082 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H](C)c1ccccc1 ZINC001481004449 1393082529 /nfs/dbraw/zinc/08/25/29/1393082529.db2.gz CCCSKVTYMRHEIZ-OALUTQOASA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1)[NH+](C)C ZINC001481064236 1393111002 /nfs/dbraw/zinc/11/10/02/1393111002.db2.gz GRZGZASWBLGBRE-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001481171654 1393141075 /nfs/dbraw/zinc/14/10/75/1393141075.db2.gz KACGUMIZKVSYDF-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001481319478 1393163076 /nfs/dbraw/zinc/16/30/76/1393163076.db2.gz GGOZESKCRRERLF-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001698901712 1406634962 /nfs/dbraw/zinc/63/49/62/1406634962.db2.gz PQXNSKBZXWPDEN-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001481443936 1394296915 /nfs/dbraw/zinc/29/69/15/1394296915.db2.gz HNSAOGPNFDIDJY-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C[N@H+](C)CCCC3CCC3)CC2)CCC1 ZINC001481514352 1394362385 /nfs/dbraw/zinc/36/23/85/1394362385.db2.gz BQFRUGAXAKDPCR-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001490925938 1394375706 /nfs/dbraw/zinc/37/57/06/1394375706.db2.gz JVMICGKOMFAVCO-QWFCFKBJSA-N 2 0 345.531 3.161 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001481731544 1394480663 /nfs/dbraw/zinc/48/06/63/1394480663.db2.gz VNHDQAQHOWZTAO-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001491225657 1394482791 /nfs/dbraw/zinc/48/27/91/1394482791.db2.gz ZCEZSGDKUQAXMP-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481779680 1394524792 /nfs/dbraw/zinc/52/47/92/1394524792.db2.gz WFKUQMNGGZYQIQ-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001481781104 1394526052 /nfs/dbraw/zinc/52/60/52/1394526052.db2.gz ADXICJSTWNPZEP-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001481781102 1394526377 /nfs/dbraw/zinc/52/63/77/1394526377.db2.gz ADXICJSTWNPZEP-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(CC)CC)CC1 ZINC001482017464 1394674709 /nfs/dbraw/zinc/67/47/09/1394674709.db2.gz POIATDITDFXRIO-FHWLQOOXSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001482220590 1394814615 /nfs/dbraw/zinc/81/46/15/1394814615.db2.gz DNRJGNCQQKFRKM-LJQANCHMSA-N 2 0 343.515 3.080 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CCCCC1)[NH+](C)C ZINC001482409236 1394973706 /nfs/dbraw/zinc/97/37/06/1394973706.db2.gz KLHXHIXCLVORRV-PMACEKPBSA-N 2 0 345.531 3.182 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001483845532 1395111946 /nfs/dbraw/zinc/11/19/46/1395111946.db2.gz OBJSDDLZZBXNHZ-FQEVSTJZSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001483907979 1395139099 /nfs/dbraw/zinc/13/90/99/1395139099.db2.gz DXROXMOYNVAJGM-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001483934775 1395151565 /nfs/dbraw/zinc/15/15/65/1395151565.db2.gz SASUAOIJYXCXKU-MOPGFXCFSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001483943147 1395155106 /nfs/dbraw/zinc/15/51/06/1395155106.db2.gz UHCXMSNIUMZAAD-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001484874753 1395576657 /nfs/dbraw/zinc/57/66/57/1395576657.db2.gz XMZMHHMIDSZLLB-IBGZPJMESA-N 2 0 331.504 3.005 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485300733 1395779980 /nfs/dbraw/zinc/77/99/80/1395779980.db2.gz FPMKFRRYASLCBB-ZWKOTPCHSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698996877 1406795928 /nfs/dbraw/zinc/79/59/28/1406795928.db2.gz GMOHGDJTHVTVBT-MRXNPFEDSA-N 2 0 349.494 3.009 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001485761662 1396137570 /nfs/dbraw/zinc/13/75/70/1396137570.db2.gz XLJJIPHBTQCEFY-UHFFFAOYSA-N 2 0 345.531 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001502999384 1396239133 /nfs/dbraw/zinc/23/91/33/1396239133.db2.gz APAYVNXGRWBBCJ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001494908457 1396508509 /nfs/dbraw/zinc/50/85/09/1396508509.db2.gz ABKXHUSGUSRQML-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001496083689 1396598229 /nfs/dbraw/zinc/59/82/29/1396598229.db2.gz WGBQEQZGONCWTD-GOSISDBHSA-N 2 0 345.531 3.033 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001699011429 1406841855 /nfs/dbraw/zinc/84/18/55/1406841855.db2.gz ZEFWGXTYMZRVFO-FQEVSTJZSA-N 2 0 345.531 3.404 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498117637 1396921715 /nfs/dbraw/zinc/92/17/15/1396921715.db2.gz HAGIDDWFNFSELD-INIZCTEOSA-N 2 0 339.568 3.275 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001498154523 1396927559 /nfs/dbraw/zinc/92/75/59/1396927559.db2.gz ZVINXLRWNKNBSB-IRXDYDNUSA-N 2 0 341.499 3.337 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001498167902 1396929851 /nfs/dbraw/zinc/92/98/51/1396929851.db2.gz AOLLGYWNPVNNPB-AWEZNQCLSA-N 2 0 347.547 3.165 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001689879271 1404181216 /nfs/dbraw/zinc/18/12/16/1404181216.db2.gz OCTMAYHCMAVQFE-UYAOXDASSA-N 2 0 347.547 3.389 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001690049259 1404282285 /nfs/dbraw/zinc/28/22/85/1404282285.db2.gz JQLHXRCAGLYNBN-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001690279272 1404443942 /nfs/dbraw/zinc/44/39/42/1404443942.db2.gz YZIYJHBTRNAJEJ-JQFCIGGWSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001690471450 1404595735 /nfs/dbraw/zinc/59/57/35/1404595735.db2.gz HHHOLKULRBAQQH-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCCCC1 ZINC001690868733 1404786888 /nfs/dbraw/zinc/78/68/88/1404786888.db2.gz NHXKFZVNVSWBKQ-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001690942005 1404848163 /nfs/dbraw/zinc/84/81/63/1404848163.db2.gz PTJWJDXRYQIMBB-RBUKOAKNSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001690958252 1404866258 /nfs/dbraw/zinc/86/62/58/1404866258.db2.gz ZTMVZAMDEQRXAT-HNNXBMFYSA-N 2 0 349.906 3.077 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)[C@@H](C)c1ccccc1 ZINC001691043610 1404954546 /nfs/dbraw/zinc/95/45/46/1404954546.db2.gz SFKVPNQSXMVTCM-AZUAARDMSA-N 2 0 345.531 3.449 20 0 EGADRP CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)Cc1ccccc1F ZINC001691043388 1404954758 /nfs/dbraw/zinc/95/47/58/1404954758.db2.gz JGLYVFVONOFXRC-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691446878 1405274368 /nfs/dbraw/zinc/27/43/68/1405274368.db2.gz IZNDBTVXVFIPOA-WSTZPKSXSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001698553530 1406150792 /nfs/dbraw/zinc/15/07/92/1406150792.db2.gz INDBDQWGBXUKGN-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001732040670 1428269711 /nfs/dbraw/zinc/26/97/11/1428269711.db2.gz JFLXPPBNXRTLFV-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732153192 1428396238 /nfs/dbraw/zinc/39/62/38/1428396238.db2.gz XZOAZWGGUMHISS-FBQMEGEOSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001732317951 1428528477 /nfs/dbraw/zinc/52/84/77/1428528477.db2.gz SYPPKZZSGRTBMK-FQEVSTJZSA-N 2 0 345.531 3.169 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001732402389 1428567371 /nfs/dbraw/zinc/56/73/71/1428567371.db2.gz JGFPZSIUGCUGHD-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699415660 1412729730 /nfs/dbraw/zinc/72/97/30/1412729730.db2.gz QYAYGQWLQFLXHQ-FCCDEINASA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC001699651350 1413033574 /nfs/dbraw/zinc/03/35/74/1413033574.db2.gz OHXIRRAZVIKCRL-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CCC3CCCCCC3)CC2)CC1 ZINC001699666962 1413052917 /nfs/dbraw/zinc/05/29/17/1413052917.db2.gz AHQFYBWOWOREMW-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827175 1413254134 /nfs/dbraw/zinc/25/41/34/1413254134.db2.gz VNIUSTOCSHBBRS-GHTZIAJQSA-N 2 0 343.515 3.204 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001699990948 1413437768 /nfs/dbraw/zinc/43/77/68/1413437768.db2.gz SZOAKFMALRGRJZ-BGYRXZFFSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001700477653 1414108374 /nfs/dbraw/zinc/10/83/74/1414108374.db2.gz SEMKCSSPDXXIQY-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@@H+]2CCCC2CCC2)CCC1 ZINC001700526498 1414188652 /nfs/dbraw/zinc/18/86/52/1414188652.db2.gz ZIVYUQQHJQEMAD-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001700537853 1414204747 /nfs/dbraw/zinc/20/47/47/1414204747.db2.gz HZRIZGVNKOBJON-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1)[NH+](CC)CC ZINC001700696542 1414354523 /nfs/dbraw/zinc/35/45/23/1414354523.db2.gz KRRUVKPWUACJFI-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001700777108 1414457462 /nfs/dbraw/zinc/45/74/62/1414457462.db2.gz DXSJKEOQRYGRFY-IBGZPJMESA-N 2 0 345.531 3.198 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001700823611 1414479120 /nfs/dbraw/zinc/47/91/20/1414479120.db2.gz OSQFDRPCIRTUBC-UZLBHIALSA-N 2 0 345.531 3.377 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C[C@H]1C ZINC001700852351 1414500155 /nfs/dbraw/zinc/50/01/55/1414500155.db2.gz VQPJYCPUWVFUBZ-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC2CCCCCC2)C1 ZINC001701025297 1414686361 /nfs/dbraw/zinc/68/63/61/1414686361.db2.gz QBPGAYJEFPMJDW-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001732597057 1428837268 /nfs/dbraw/zinc/83/72/68/1428837268.db2.gz FOGAELDURJXAGC-LJQANCHMSA-N 2 0 345.531 3.322 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001733006653 1429127178 /nfs/dbraw/zinc/12/71/78/1429127178.db2.gz JDCSTDNCWNESTI-KRWDZBQOSA-N 2 0 345.531 3.079 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCCC1CCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001707062175 1417178095 /nfs/dbraw/zinc/17/80/95/1417178095.db2.gz LKEYVMBDIRMXSA-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001707434432 1417339014 /nfs/dbraw/zinc/33/90/14/1417339014.db2.gz DSTLFGYSOXTMAI-XLIONFOSSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001713310980 1417935159 /nfs/dbraw/zinc/93/51/59/1417935159.db2.gz GRTHJVCGYNNPOX-CVEARBPZSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001713316709 1417942297 /nfs/dbraw/zinc/94/22/97/1417942297.db2.gz XKTRIOYSCYDDQI-MRXNPFEDSA-N 2 0 345.531 3.063 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713393379 1418007383 /nfs/dbraw/zinc/00/73/83/1418007383.db2.gz JMJMVDCHRKWLQM-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1C(C)C ZINC001713486126 1418179663 /nfs/dbraw/zinc/17/96/63/1418179663.db2.gz WHEBEBQSFINVLQ-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](CC)Cc2ccccc2C)C1 ZINC001713490382 1418189081 /nfs/dbraw/zinc/18/90/81/1418189081.db2.gz DOWZXMVMRMNSHJ-HXUWFJFHSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H](CC)c1ccc(F)cc1 ZINC001713517134 1418254183 /nfs/dbraw/zinc/25/41/83/1418254183.db2.gz CZSGCYNOZRRJNH-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001713520332 1418263174 /nfs/dbraw/zinc/26/31/74/1418263174.db2.gz SHVZDZGHKYWGDW-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530355 1418278151 /nfs/dbraw/zinc/27/81/51/1418278151.db2.gz DLCXKCGWXFZNNV-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1ccccc1C ZINC001713546315 1418316662 /nfs/dbraw/zinc/31/66/62/1418316662.db2.gz HDTZYPJBCKHFDL-WSTZPKSXSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)c1cc(C)ccc1C ZINC001713549415 1418326104 /nfs/dbraw/zinc/32/61/04/1418326104.db2.gz QRIALTVGOJZEOV-UYAOXDASSA-N 2 0 345.531 3.287 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001713557689 1418350946 /nfs/dbraw/zinc/35/09/46/1418350946.db2.gz NUNUFTSMBSTYAV-LJQANCHMSA-N 2 0 343.515 3.203 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713804904 1418617919 /nfs/dbraw/zinc/61/79/19/1418617919.db2.gz NEIRGIGIGVCKKY-LLHWWHOWSA-N 2 0 335.536 3.189 20 0 EGADRP O=C(NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001713870058 1418666934 /nfs/dbraw/zinc/66/69/34/1418666934.db2.gz KTMSVPVIANUBGI-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)c1cccc(C)c1 ZINC001714088530 1418881796 /nfs/dbraw/zinc/88/17/96/1418881796.db2.gz LBPUJMNXHCKZSZ-IEBWSBKVSA-N 2 0 343.515 3.169 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001714117332 1418921353 /nfs/dbraw/zinc/92/13/53/1418921353.db2.gz VDWFOLLMVIJDSX-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714237261 1419027316 /nfs/dbraw/zinc/02/73/16/1419027316.db2.gz XNRAEJCJGBZDFX-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1 ZINC001714307052 1419086617 /nfs/dbraw/zinc/08/66/17/1419086617.db2.gz QIFDNXJWQBVDBR-JHYFLENFSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714439761 1419171663 /nfs/dbraw/zinc/17/16/63/1419171663.db2.gz YOMOOVLVNJCLQM-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC2CCCCCC2)C1 ZINC001714556533 1419284327 /nfs/dbraw/zinc/28/43/27/1419284327.db2.gz QNBSTNGEGYCQGF-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1c(C)cccc1C ZINC001714621936 1419389140 /nfs/dbraw/zinc/38/91/40/1419389140.db2.gz ZNRKGOZKACLLLT-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1c(C)cc(C)cc1C ZINC001714648191 1419424674 /nfs/dbraw/zinc/42/46/74/1419424674.db2.gz ZFUPYOYMQGXCIB-HXUWFJFHSA-N 2 0 345.531 3.034 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001714749671 1419493187 /nfs/dbraw/zinc/49/31/87/1419493187.db2.gz LHHVKEIDUQVVGN-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001714885397 1419625944 /nfs/dbraw/zinc/62/59/44/1419625944.db2.gz WPTCKFLIPYWIKG-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001715048412 1419789864 /nfs/dbraw/zinc/78/98/64/1419789864.db2.gz YGPFOHQVGWOZJC-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001715203869 1419937347 /nfs/dbraw/zinc/93/73/47/1419937347.db2.gz KNUYPXGBPXSZCX-UUKMXZOPSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001715355012 1420055144 /nfs/dbraw/zinc/05/51/44/1420055144.db2.gz MYOGDEDNBYGTDJ-HNAYVOBHSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040954 1420502229 /nfs/dbraw/zinc/50/22/29/1420502229.db2.gz KIHQFRPWIKNZFB-YLJYHZDGSA-N 2 0 345.531 3.306 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC(C)(C)C)C1 ZINC001716051942 1420516418 /nfs/dbraw/zinc/51/64/18/1420516418.db2.gz UCUHORUMVCHBDT-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001716219941 1420570420 /nfs/dbraw/zinc/57/04/20/1420570420.db2.gz HQZNKLNZXGPVHN-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001716418317 1420645834 /nfs/dbraw/zinc/64/58/34/1420645834.db2.gz LDBJLKVWXHAISA-IAGOWNOFSA-N 2 0 347.547 3.481 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCC3CCCC3)CC2)CCCCC1 ZINC001716689229 1420842564 /nfs/dbraw/zinc/84/25/64/1420842564.db2.gz YAGMIILQDUVNJE-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C(=O)N1CCC([N@H+](CCC(C)C)CC2CC2)CC1)[NH+](C)C ZINC001733277716 1429443940 /nfs/dbraw/zinc/44/39/40/1429443940.db2.gz XCXWTFMTHUGWMB-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCC(C)(C)C)CC2 ZINC001716724870 1420883210 /nfs/dbraw/zinc/88/32/10/1420883210.db2.gz ADEDBRMDZMVXPM-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001733277461 1429443547 /nfs/dbraw/zinc/44/35/47/1429443547.db2.gz TYSFLMNHDSDDBO-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001717270626 1421227900 /nfs/dbraw/zinc/22/79/00/1421227900.db2.gz GAOIVFKHPLDSKY-KRWDZBQOSA-N 2 0 343.515 3.291 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCCC2)CC1 ZINC001717371275 1421310206 /nfs/dbraw/zinc/31/02/06/1421310206.db2.gz NJAGCVOOAFWEIX-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCCC1 ZINC001717374640 1421315923 /nfs/dbraw/zinc/31/59/23/1421315923.db2.gz VJQPVYMCXIRLIP-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001717451408 1421381200 /nfs/dbraw/zinc/38/12/00/1421381200.db2.gz SUJBCSQGUKNBKV-HKUYNNGSSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001718032417 1421784771 /nfs/dbraw/zinc/78/47/71/1421784771.db2.gz OFBUHGNEGZUIKH-PKOBYXMFSA-N 2 0 337.552 3.003 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001733336229 1429520751 /nfs/dbraw/zinc/52/07/51/1429520751.db2.gz RRFANMORXBIKAJ-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)CC1 ZINC001724013931 1424627753 /nfs/dbraw/zinc/62/77/53/1424627753.db2.gz HNELYKHAGXTBFB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001724554864 1424910492 /nfs/dbraw/zinc/91/04/92/1424910492.db2.gz NVFQSQQUJGFAIA-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001725136345 1425610948 /nfs/dbraw/zinc/61/09/48/1425610948.db2.gz GYGRMXMMUMKCPG-UHFFFAOYSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001725669529 1426353690 /nfs/dbraw/zinc/35/36/90/1426353690.db2.gz XTDHAWHEPHDNSW-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001731524113 1427512232 /nfs/dbraw/zinc/51/22/32/1427512232.db2.gz CPTOFBIELLSIRQ-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001731647451 1427704993 /nfs/dbraw/zinc/70/49/93/1427704993.db2.gz MTLCBDTVHPBFSJ-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001731696320 1427746324 /nfs/dbraw/zinc/74/63/24/1427746324.db2.gz WWYSORHAQFMAAG-UXHICEINSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001731721560 1427791709 /nfs/dbraw/zinc/79/17/09/1427791709.db2.gz UWOOALIBQBYPCA-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001733771333 1430004651 /nfs/dbraw/zinc/00/46/51/1430004651.db2.gz XHHLRWNDZXVDMO-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@H](C)C1 ZINC001733901020 1437719333 /nfs/dbraw/zinc/71/93/33/1437719333.db2.gz MJMUFUVGESPTDL-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001733902338 1437720593 /nfs/dbraw/zinc/72/05/93/1437720593.db2.gz RLUIUOAMPXRFEU-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734017351 1437807474 /nfs/dbraw/zinc/80/74/74/1437807474.db2.gz JFCHDQGHGYYTKA-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001734041388 1437830044 /nfs/dbraw/zinc/83/00/44/1437830044.db2.gz ACFIMEJLRMHXMV-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001734351252 1438069181 /nfs/dbraw/zinc/06/91/81/1438069181.db2.gz AEKIKFXZYITKEA-PXNSSMCTSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@H]1C ZINC001734404427 1438084059 /nfs/dbraw/zinc/08/40/59/1438084059.db2.gz KAJLLCIWFLWATO-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CCC2=CCCCC2)CC[N@@H+]1C ZINC001751978829 1440130132 /nfs/dbraw/zinc/13/01/32/1440130132.db2.gz HZRGEZXWYZZUGT-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001752154673 1440146660 /nfs/dbraw/zinc/14/66/60/1440146660.db2.gz DJXISOQFBYTILS-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC1=CCCCC1 ZINC001752229534 1440158044 /nfs/dbraw/zinc/15/80/44/1440158044.db2.gz LTOWJQIHHCOQSV-QZTJIDSGSA-N 2 0 335.536 3.188 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001752439667 1440180866 /nfs/dbraw/zinc/18/08/66/1440180866.db2.gz LVWCYBDRMFLGFE-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001752439504 1440180984 /nfs/dbraw/zinc/18/09/84/1440180984.db2.gz ITSWCDICDMUVHF-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527669 1440193383 /nfs/dbraw/zinc/19/33/83/1440193383.db2.gz LXMRCUYHRDJDKD-OALUTQOASA-N 2 0 345.531 3.260 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001752566351 1440195419 /nfs/dbraw/zinc/19/54/19/1440195419.db2.gz QMPWJGYJTBQSFG-YSIASYRMSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1cccc2ccccc21 ZINC001752661435 1440198450 /nfs/dbraw/zinc/19/84/50/1440198450.db2.gz PGINQLNYWGYVIO-KBAYOESNSA-N 2 0 339.483 3.089 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001752686798 1440200036 /nfs/dbraw/zinc/20/00/36/1440200036.db2.gz AZWBRFCMYGHBRN-CAMMJAKZSA-N 2 0 335.536 3.066 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752801536 1440215092 /nfs/dbraw/zinc/21/50/92/1440215092.db2.gz OEDZIPJMXVKIBJ-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001752804451 1440215527 /nfs/dbraw/zinc/21/55/27/1440215527.db2.gz POMSYOCJPGUTJB-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001752832528 1440226149 /nfs/dbraw/zinc/22/61/49/1440226149.db2.gz XSGIEBCJCRMPKD-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001752833535 1440226472 /nfs/dbraw/zinc/22/64/72/1440226472.db2.gz HDXIQRGSTDYLSV-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752835398 1440227452 /nfs/dbraw/zinc/22/74/52/1440227452.db2.gz FNPZKDXJDBHHNE-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752839234 1440229480 /nfs/dbraw/zinc/22/94/80/1440229480.db2.gz CRIHCWWHAFPPGY-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001752894551 1440241524 /nfs/dbraw/zinc/24/15/24/1440241524.db2.gz JLGIWIWDZFQEIL-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001752959005 1440253093 /nfs/dbraw/zinc/25/30/93/1440253093.db2.gz RUEVBBGEWLMPET-QFBILLFUSA-N 2 0 349.494 3.057 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753000103 1440264160 /nfs/dbraw/zinc/26/41/60/1440264160.db2.gz NJMGGBKGXVUEJW-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001753014457 1440268063 /nfs/dbraw/zinc/26/80/63/1440268063.db2.gz MXALLFHNJMONIK-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001753034407 1440274127 /nfs/dbraw/zinc/27/41/27/1440274127.db2.gz HJTDSULRCONXOP-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001753056088 1440281291 /nfs/dbraw/zinc/28/12/91/1440281291.db2.gz PGTMNMVBHZYHCS-FXAWDEMLSA-N 2 0 345.531 3.403 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)CC2CCCCCC2)cc1 ZINC001753066858 1440285853 /nfs/dbraw/zinc/28/58/53/1440285853.db2.gz DHZSBOKBAYLHAX-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001753074135 1440290231 /nfs/dbraw/zinc/29/02/31/1440290231.db2.gz AHEKELQGBSEYBZ-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001753083801 1440295251 /nfs/dbraw/zinc/29/52/51/1440295251.db2.gz RQCJLIRFOWNCOI-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001753103600 1440305216 /nfs/dbraw/zinc/30/52/16/1440305216.db2.gz MVRBBNLFQGLUTF-SFHVURJKSA-N 2 0 337.552 3.410 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001753128748 1440315735 /nfs/dbraw/zinc/31/57/35/1440315735.db2.gz JPJJTGYKRXBOOT-HNNXBMFYSA-N 2 0 337.533 3.052 20 0 EGADRP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753339355 1440374429 /nfs/dbraw/zinc/37/44/29/1440374429.db2.gz OLURCIKCUXINTQ-HXUWFJFHSA-N 2 0 349.563 3.271 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001753341231 1440375506 /nfs/dbraw/zinc/37/55/06/1440375506.db2.gz UBCBZXGTGNHTOX-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001753359018 1440381487 /nfs/dbraw/zinc/38/14/87/1440381487.db2.gz DPFBFRRSSWWPSU-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001753366313 1440385459 /nfs/dbraw/zinc/38/54/59/1440385459.db2.gz VQYRTRIYEVNXSY-UHFFFAOYSA-N 2 0 337.552 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cc(C)cc(C)c2)CCCC1 ZINC001753510392 1440425735 /nfs/dbraw/zinc/42/57/35/1440425735.db2.gz SLAIGAUACMPQJE-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H]([NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1)c1ccccc1 ZINC001753511960 1440426238 /nfs/dbraw/zinc/42/62/38/1440426238.db2.gz PUQXTIJIQWJZSR-LJQANCHMSA-N 2 0 345.531 3.497 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2C)C1 ZINC001753559803 1440436735 /nfs/dbraw/zinc/43/67/35/1440436735.db2.gz NXUXCDJBZSSMLA-LJQANCHMSA-N 2 0 345.531 3.055 20 0 EGADRP CC(C)CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753570537 1440438343 /nfs/dbraw/zinc/43/83/43/1440438343.db2.gz GZGHKXUZWVVGKA-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001753577973 1440439594 /nfs/dbraw/zinc/43/95/94/1440439594.db2.gz PXLNYOQWGCARBX-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1)C1CCC1 ZINC001753582542 1440440436 /nfs/dbraw/zinc/44/04/36/1440440436.db2.gz SBFPRVRCPYJBHT-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001753587108 1440441708 /nfs/dbraw/zinc/44/17/08/1440441708.db2.gz NJFGWMRFZABEFB-GUDVDZBRSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001753612559 1440449267 /nfs/dbraw/zinc/44/92/67/1440449267.db2.gz HXAYCLFCWIWNPP-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001753668009 1440460946 /nfs/dbraw/zinc/46/09/46/1440460946.db2.gz RBZWDYWUXNTLKD-RJCMGOLDSA-N 2 0 349.563 3.482 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1)[NH+]1CCCCCC1 ZINC001753669195 1440461325 /nfs/dbraw/zinc/46/13/25/1440461325.db2.gz JHJHCNZTPPTJDH-JLAWEPINSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)N(C)C(=O)CC[NH+](C)C ZINC001753710527 1440470386 /nfs/dbraw/zinc/47/03/86/1440470386.db2.gz DQGXUOJRTADJBD-AOCRQIFASA-N 2 0 339.568 3.227 20 0 EGADRP C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001753726747 1440474563 /nfs/dbraw/zinc/47/45/63/1440474563.db2.gz QQVTXEAIPASAOQ-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001753763674 1440484527 /nfs/dbraw/zinc/48/45/27/1440484527.db2.gz VQVUALXCHVYHQA-KQPGTDLCSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001753788930 1440488692 /nfs/dbraw/zinc/48/86/92/1440488692.db2.gz VTGTVWKQPRHFFN-NQIIRXRSSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]C/C=C\c1ccccc1 ZINC001753796526 1440489956 /nfs/dbraw/zinc/48/99/56/1440489956.db2.gz KEYBTQYEHQGABJ-WUQYLLKWSA-N 2 0 343.515 3.012 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753798579 1440490344 /nfs/dbraw/zinc/49/03/44/1440490344.db2.gz YLEYCYDCNFAEOE-XJDXJNMNSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001753821239 1440496088 /nfs/dbraw/zinc/49/60/88/1440496088.db2.gz VIXKJDNNAPXQQU-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001753845440 1440504287 /nfs/dbraw/zinc/50/42/87/1440504287.db2.gz JQNCDXIKITYAMI-UYAOXDASSA-N 2 0 345.531 3.354 20 0 EGADRP CC1CCC(C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001753859373 1440510762 /nfs/dbraw/zinc/51/07/62/1440510762.db2.gz MSEHTSZWIJCIDY-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753879034 1440520224 /nfs/dbraw/zinc/52/02/24/1440520224.db2.gz ZQMKWDVHFPHUMM-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753989186 1440528861 /nfs/dbraw/zinc/52/88/61/1440528861.db2.gz VFKPFEHCNZPSQX-QGZVFWFLSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H]([NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC001754129848 1440543538 /nfs/dbraw/zinc/54/35/38/1440543538.db2.gz TWXZSJPJPVVDCL-RGDDUWESSA-N 2 0 349.906 3.147 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754506164 1440616404 /nfs/dbraw/zinc/61/64/04/1440616404.db2.gz XOZMJPRJFKZXJV-RBUKOAKNSA-N 2 0 343.515 3.123 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001754515904 1440618552 /nfs/dbraw/zinc/61/85/52/1440618552.db2.gz GIPJRALBTJTBKO-ZWKOTPCHSA-N 2 0 343.515 3.169 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CCC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001754535944 1440624298 /nfs/dbraw/zinc/62/42/98/1440624298.db2.gz RJESEBJZJIQFJI-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](C[C@H](C)CC)C2 ZINC001754557019 1440632113 /nfs/dbraw/zinc/63/21/13/1440632113.db2.gz AOQDRZLTWOOGCW-UYAOXDASSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C[C@@H]1C ZINC001754601953 1440642560 /nfs/dbraw/zinc/64/25/60/1440642560.db2.gz WWHIIGKZJVGZFE-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C2CCCC2)CC1 ZINC001754650512 1440651725 /nfs/dbraw/zinc/65/17/25/1440651725.db2.gz NJVKWYPVLPOHDI-HXUWFJFHSA-N 2 0 347.547 3.093 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC(C)(C)C)C1 ZINC001754727843 1440677163 /nfs/dbraw/zinc/67/71/63/1440677163.db2.gz OMZNUAJCCAEVBC-XLIONFOSSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001754727850 1440677222 /nfs/dbraw/zinc/67/72/22/1440677222.db2.gz OOFQMDAJZZOCEL-WHIUHWMMSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC2CCCCCC2)C1 ZINC001754729417 1440678266 /nfs/dbraw/zinc/67/82/66/1440678266.db2.gz JOIYHVKVWZIZQZ-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001754807194 1440691390 /nfs/dbraw/zinc/69/13/90/1440691390.db2.gz MODOUWGCJCDONG-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001754822818 1440693248 /nfs/dbraw/zinc/69/32/48/1440693248.db2.gz QDOYNVBBBZKXBG-FUHWJXTLSA-N 2 0 339.568 3.085 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754866955 1440703171 /nfs/dbraw/zinc/70/31/71/1440703171.db2.gz GCCXKXHTRYMPRD-LWYYNNOASA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC001754946646 1440713280 /nfs/dbraw/zinc/71/32/80/1440713280.db2.gz QVOLGWWTJYHJGI-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP CC[C@H](F)C[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001754948168 1440713918 /nfs/dbraw/zinc/71/39/18/1440713918.db2.gz FZBGJBGHHWYVET-BEFAXECRSA-N 2 0 349.494 3.043 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CCC2)C1 ZINC001754981942 1440721513 /nfs/dbraw/zinc/72/15/13/1440721513.db2.gz MIFIPCIECZGMMI-TVPLGVNVSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001755026682 1440729053 /nfs/dbraw/zinc/72/90/53/1440729053.db2.gz UZIQUMUOZHCPBX-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755029372 1440730557 /nfs/dbraw/zinc/73/05/57/1440730557.db2.gz WHBDSWMSOILBMG-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001755044332 1440739524 /nfs/dbraw/zinc/73/95/24/1440739524.db2.gz QDKGHJXWWCLFSB-ZWKOTPCHSA-N 2 0 339.568 3.323 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CCC3CCCCC3)CC2)CC[N@@H+]1C ZINC001755127575 1440756476 /nfs/dbraw/zinc/75/64/76/1440756476.db2.gz IADQXBPWYVXIAY-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001755130301 1440757010 /nfs/dbraw/zinc/75/70/10/1440757010.db2.gz GBOMWIWMAWNSKH-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001755161831 1440764951 /nfs/dbraw/zinc/76/49/51/1440764951.db2.gz NDXYWWFWAKXQLE-MSOLQXFVSA-N 2 0 335.536 3.164 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c(C)c1 ZINC001755165078 1440766544 /nfs/dbraw/zinc/76/65/44/1440766544.db2.gz DXRJLPZTCLZSAX-AZUAARDMSA-N 2 0 345.531 3.113 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001755165639 1440766803 /nfs/dbraw/zinc/76/68/03/1440766803.db2.gz PEYZLAQLCACXDN-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@H](C)C1 ZINC001755166732 1440767618 /nfs/dbraw/zinc/76/76/18/1440767618.db2.gz FPXJIYWDGLGTTQ-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](CCC3CC3)C2)CC1 ZINC001755205389 1440782124 /nfs/dbraw/zinc/78/21/24/1440782124.db2.gz RRVCNVOPSRKTAX-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001755237238 1440788577 /nfs/dbraw/zinc/78/85/77/1440788577.db2.gz LYGCCTQDZOSPSD-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001755271429 1440797822 /nfs/dbraw/zinc/79/78/22/1440797822.db2.gz SSBRDRPNNPBBNS-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001755282346 1440800875 /nfs/dbraw/zinc/80/08/75/1440800875.db2.gz OHZCODCEWDOMLI-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001755282130 1440800918 /nfs/dbraw/zinc/80/09/18/1440800918.db2.gz GPPSXDKDFOUMKJ-UHFFFAOYSA-N 2 0 339.549 3.154 20 0 EGADRP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300673 1440808465 /nfs/dbraw/zinc/80/84/65/1440808465.db2.gz VOQLZVQHVGAMMW-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001755302115 1440809127 /nfs/dbraw/zinc/80/91/27/1440809127.db2.gz ZHPSHCGNTOITII-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CCC(C)(C)C ZINC001755319569 1440817652 /nfs/dbraw/zinc/81/76/52/1440817652.db2.gz JAXKKXORONEMEY-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC2CC3(CCC3)C2)CC1(C)C ZINC001755415265 1440848270 /nfs/dbraw/zinc/84/82/70/1440848270.db2.gz HHYSZDNJQWJTDD-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2C1 ZINC001755453592 1440854505 /nfs/dbraw/zinc/85/45/05/1440854505.db2.gz QOAPFQXWGSFSOD-VAMGGRTRSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001755535508 1440869281 /nfs/dbraw/zinc/86/92/81/1440869281.db2.gz KPFABFNSFRLRKZ-SFHVURJKSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755588262 1440880890 /nfs/dbraw/zinc/88/08/90/1440880890.db2.gz VNZFTNUKYFTXGN-QZTJIDSGSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001755590665 1440881390 /nfs/dbraw/zinc/88/13/90/1440881390.db2.gz PQYPLDJIESBLDT-XLIONFOSSA-N 2 0 347.547 3.330 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001755701548 1440900432 /nfs/dbraw/zinc/90/04/32/1440900432.db2.gz QBHPZJGVRRJSFD-DSKINZAPSA-N 2 0 343.515 3.121 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755706466 1440902701 /nfs/dbraw/zinc/90/27/01/1440902701.db2.gz ACOZSGKLYPCOAC-UFYCRDLUSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001755707942 1440903000 /nfs/dbraw/zinc/90/30/00/1440903000.db2.gz KNTCNLGEZWIQNC-ZCNNSNEGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC001755758269 1440914395 /nfs/dbraw/zinc/91/43/95/1440914395.db2.gz WVCVMNRZLPFMIG-HNNXBMFYSA-N 2 0 337.533 3.050 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C(C)(C)C1 ZINC001755765458 1440916081 /nfs/dbraw/zinc/91/60/81/1440916081.db2.gz PMAMHVGAMYXWGL-PKOBYXMFSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755826303 1440927356 /nfs/dbraw/zinc/92/73/56/1440927356.db2.gz ODTQBNGZXRZQBS-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001755827200 1440927593 /nfs/dbraw/zinc/92/75/93/1440927593.db2.gz HEAJAMVEDQSEQR-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001755836362 1440930328 /nfs/dbraw/zinc/93/03/28/1440930328.db2.gz SDAUCSAROSXJMF-OALUTQOASA-N 2 0 345.531 3.136 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)cc1C ZINC001755837195 1440930595 /nfs/dbraw/zinc/93/05/95/1440930595.db2.gz LFHAIHBIDDWGBP-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CC2CCCCCC2)C1 ZINC001755865858 1440937856 /nfs/dbraw/zinc/93/78/56/1440937856.db2.gz UIINTYGOVLUIJA-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](Cc1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc1)C1CC1 ZINC001164419780 718893079 /nfs/dbraw/zinc/89/30/79/718893079.db2.gz RBKJAYNRRVERIJ-IBGZPJMESA-N 2 0 328.504 3.034 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158440913 529721501 /nfs/dbraw/zinc/72/15/01/529721501.db2.gz OLEDAQCZZNECFC-KRWDZBQOSA-N 2 0 338.499 3.247 20 0 EGADRP Cn1ncc2c1CCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635903 232326098 /nfs/dbraw/zinc/32/60/98/232326098.db2.gz MZXOYFWUCLUXBW-HXUWFJFHSA-N 2 0 338.499 3.299 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCCC(F)(F)F)CC2)CC1 ZINC000371342574 168590690 /nfs/dbraw/zinc/59/06/90/168590690.db2.gz YOTGBEYSKDSLBA-UHFFFAOYSA-N 2 0 335.458 3.209 20 0 EGADRP Cn1cc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000068986167 215351244 /nfs/dbraw/zinc/35/12/44/215351244.db2.gz BKAOPXMQGLCJRX-UHFFFAOYSA-N 2 0 340.515 3.245 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181250077 234131960 /nfs/dbraw/zinc/13/19/60/234131960.db2.gz JCGUMFGZXSQZQG-MMQJMDILSA-N 2 0 339.886 3.376 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000184233166 235342666 /nfs/dbraw/zinc/34/26/66/235342666.db2.gz XAVLGZSAZIRNOF-LJQANCHMSA-N 2 0 349.563 3.400 20 0 EGADRP [NH3+]CC1(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCCC1 ZINC000184221080 235337760 /nfs/dbraw/zinc/33/77/60/235337760.db2.gz HXTGVNNVWLOBAF-UHFFFAOYSA-N 2 0 343.515 3.198 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000264420089 283188017 /nfs/dbraw/zinc/18/80/17/283188017.db2.gz IMYXFTRJFGHUBS-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000072803549 216307978 /nfs/dbraw/zinc/30/79/78/216307978.db2.gz ZJWSZZFRMLJGOB-OAHLLOKOSA-N 2 0 337.895 3.332 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000677748662 549326268 /nfs/dbraw/zinc/32/62/68/549326268.db2.gz CFQIBJMSZINAPS-UHFFFAOYSA-N 2 0 335.879 3.203 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000193655651 240251075 /nfs/dbraw/zinc/25/10/75/240251075.db2.gz OOVPNGGYNBWVMY-UHFFFAOYSA-N 2 0 333.545 3.202 20 0 EGADRP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000376320907 242064752 /nfs/dbraw/zinc/06/47/52/242064752.db2.gz XFSGQUITUPABOP-BSWAZPDLSA-N 2 0 344.421 3.188 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(F)cc3Br)C[C@@H]21 ZINC000230047670 242224824 /nfs/dbraw/zinc/22/48/24/242224824.db2.gz BGMJKPVFTDEEDV-RIEGTJTDSA-N 2 0 327.241 3.147 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c(F)ccc(Br)c3F)C[C@@H]21 ZINC000230320260 242258507 /nfs/dbraw/zinc/25/85/07/242258507.db2.gz MAILBGROAWLYHE-ISTVAULSSA-N 2 0 345.231 3.287 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236655771 242308144 /nfs/dbraw/zinc/30/81/44/242308144.db2.gz UVHZRNRBTCELFA-VDGAXYAQSA-N 2 0 343.515 3.064 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000348383860 299391483 /nfs/dbraw/zinc/39/14/83/299391483.db2.gz UEJLTTQHSJZUAQ-DSJMHWKBSA-N 2 0 334.426 3.339 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000262608985 245063171 /nfs/dbraw/zinc/06/31/71/245063171.db2.gz BKPBGFBVMOOKPK-HBFSDRIKSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCCCCC[NH3+] ZINC000262678422 245116269 /nfs/dbraw/zinc/11/62/69/245116269.db2.gz UXWBIDRIYCKXDV-WGMWDUQUSA-N 2 0 345.531 3.168 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000266460035 248311761 /nfs/dbraw/zinc/31/17/61/248311761.db2.gz ZIEZDFCMGYYOSN-LJQANCHMSA-N 2 0 343.515 3.086 20 0 EGADRP C[N@H+](CC(C)(C)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626830 169050966 /nfs/dbraw/zinc/05/09/66/169050966.db2.gz MXYWXGYSHISTAS-FQEVSTJZSA-N 2 0 329.532 3.065 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000092739570 218163433 /nfs/dbraw/zinc/16/34/33/218163433.db2.gz MRYPBLSMQDWPRU-SFHVURJKSA-N 2 0 338.499 3.070 20 0 EGADRP C[N@@H+](Cc1ccccc1OCc1ccccn1)CC1CC[NH+](C)CC1 ZINC000093088921 218192943 /nfs/dbraw/zinc/19/29/43/218192943.db2.gz GARXAUDTNGDKAQ-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP c1cc2c(cccc2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)[nH]1 ZINC000093735200 218245859 /nfs/dbraw/zinc/24/58/59/218245859.db2.gz FASDEOWBWJNYOD-UHFFFAOYSA-N 2 0 327.472 3.245 20 0 EGADRP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000268789872 252240318 /nfs/dbraw/zinc/24/03/18/252240318.db2.gz XIQJMEDWPHWPQL-KXBFYZLASA-N 2 0 329.513 3.494 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000268862031 252310694 /nfs/dbraw/zinc/31/06/94/252310694.db2.gz DWZRIZIWDGUKAY-PKOBYXMFSA-N 2 0 334.504 3.363 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000268855403 252303701 /nfs/dbraw/zinc/30/37/01/252303701.db2.gz GRAKASKGIJXYPY-OWCLPIDISA-N 2 0 337.483 3.042 20 0 EGADRP COc1ccc([C@@H](CCC(C)C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154906344 224324635 /nfs/dbraw/zinc/32/46/35/224324635.db2.gz COTKVYKMANKRTN-WIYYLYMNSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(-n2cncn2)cc1 ZINC000183949742 533358623 /nfs/dbraw/zinc/35/86/23/533358623.db2.gz QKPYWMIZUVRTKP-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165709412 533435839 /nfs/dbraw/zinc/43/58/39/533435839.db2.gz WQFQPQBIFBOBIA-PBHICJAKSA-N 2 0 340.558 3.126 20 0 EGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000158516214 533461838 /nfs/dbraw/zinc/46/18/38/533461838.db2.gz ACPUWKXLOSAXIJ-OAHLLOKOSA-N 2 0 344.890 3.338 20 0 EGADRP C[C@@H]1CCC[C@](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)(N(C)C)C1 ZINC000298257538 132387893 /nfs/dbraw/zinc/38/78/93/132387893.db2.gz FEMFSMOYFAKSAX-XLIONFOSSA-N 2 0 330.520 3.151 20 0 EGADRP C[N@H+](Cc1cccc2ccccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801421 549333538 /nfs/dbraw/zinc/33/35/38/549333538.db2.gz PQCMVNLMGNBVTB-OAQYLSRUSA-N 2 0 337.511 3.440 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000123474988 140892330 /nfs/dbraw/zinc/89/23/30/140892330.db2.gz YHGPPXJPTWYVLB-UHFFFAOYSA-N 2 0 326.488 3.426 20 0 EGADRP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000237609759 141009937 /nfs/dbraw/zinc/00/99/37/141009937.db2.gz YFJXDJQFQBUJLF-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000352938977 141272778 /nfs/dbraw/zinc/27/27/78/141272778.db2.gz UOJCNERGEKRRNO-LJQANCHMSA-N 2 0 333.520 3.263 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000356317278 141340156 /nfs/dbraw/zinc/34/01/56/141340156.db2.gz HPJLPGWCZRZSGS-KRWDZBQOSA-N 2 0 333.520 3.052 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000356830138 141350001 /nfs/dbraw/zinc/35/00/01/141350001.db2.gz DFCAQQUWDZLBGS-ZDUSSCGKSA-N 2 0 325.522 3.023 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000356856623 141355773 /nfs/dbraw/zinc/35/57/73/141355773.db2.gz WIKHGXDFZDAFEZ-CQSZACIVSA-N 2 0 329.488 3.299 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358009173 141378817 /nfs/dbraw/zinc/37/88/17/141378817.db2.gz CKEVHSPDTNYPKM-UZLBHIALSA-N 2 0 326.488 3.043 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178409875 144071037 /nfs/dbraw/zinc/07/10/37/144071037.db2.gz QMZZFEPNIRHQFN-SFHVURJKSA-N 3 0 333.520 3.154 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[N@@H+]1C ZINC000344635442 144203009 /nfs/dbraw/zinc/20/30/09/144203009.db2.gz TUCSLOYINCWCRH-ZFWWWQNUSA-N 2 0 332.879 3.313 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C ZINC000344686441 144209713 /nfs/dbraw/zinc/20/97/13/144209713.db2.gz RRHNEGWHFVEPJI-SJLPKXTDSA-N 2 0 325.456 3.233 20 0 EGADRP C[C@@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000361727934 144356211 /nfs/dbraw/zinc/35/62/11/144356211.db2.gz NEYWLDQCURIVBT-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(CC)CC ZINC000353606321 286279629 /nfs/dbraw/zinc/27/96/29/286279629.db2.gz DQJRSEFDCCOGTQ-HZPDHXFCSA-N 2 0 328.566 3.387 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000247142852 286296749 /nfs/dbraw/zinc/29/67/49/286296749.db2.gz SJFQEXNMMIYOND-ABSDTBQOSA-N 2 0 346.515 3.062 20 0 EGADRP CCc1noc(C)c1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000119666958 152222003 /nfs/dbraw/zinc/22/20/03/152222003.db2.gz ZBEOXTRCCVAXBY-HOTGVXAUSA-N 2 0 349.519 3.257 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120843114 152304185 /nfs/dbraw/zinc/30/41/85/152304185.db2.gz YVFMWJKCYMSTBK-HUUCEWRRSA-N 2 0 338.565 3.109 20 0 EGADRP O[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000341585035 155368692 /nfs/dbraw/zinc/36/86/92/155368692.db2.gz KQJPOPQXDWRAQZ-FCHUYYIVSA-N 2 0 338.495 3.407 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000190772359 153159533 /nfs/dbraw/zinc/15/95/33/153159533.db2.gz IZANXYLYBLWVLU-SFHVURJKSA-N 2 0 326.488 3.474 20 0 EGADRP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)cc1 ZINC000192782237 153260561 /nfs/dbraw/zinc/26/05/61/153260561.db2.gz RYFPRUDEXXHCEL-VTHDOGFWSA-N 2 0 327.516 3.347 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)CN1Cc1ccccc1 ZINC000193158747 153280659 /nfs/dbraw/zinc/28/06/59/153280659.db2.gz AUISWZYTVULNSC-YLJYHZDGSA-N 2 0 344.499 3.172 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000154200951 286373275 /nfs/dbraw/zinc/37/32/75/286373275.db2.gz HAQUEIXPUHVVKD-QFUCXCTJSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000237407141 153517520 /nfs/dbraw/zinc/51/75/20/153517520.db2.gz CLYNUUWCTUTOJD-IRXDYDNUSA-N 2 0 345.531 3.258 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000310103381 154139369 /nfs/dbraw/zinc/13/93/69/154139369.db2.gz YWUCPJIMLIOSSJ-ULQDDVLXSA-N 2 0 342.405 3.208 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc21 ZINC000339955441 155050151 /nfs/dbraw/zinc/05/01/51/155050151.db2.gz NERVYQNORKLNOB-UHFFFAOYSA-N 2 0 347.422 3.103 20 0 EGADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346838929 156160950 /nfs/dbraw/zinc/16/09/50/156160950.db2.gz XWTXIILRHUTFLM-OKZBNKHCSA-N 2 0 332.488 3.433 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346849017 156162092 /nfs/dbraw/zinc/16/20/92/156162092.db2.gz GFHOXCSVAYFJQC-OKZBNKHCSA-N 2 0 332.488 3.433 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347003936 156240653 /nfs/dbraw/zinc/24/06/53/156240653.db2.gz ADNOFTRYDIUPCV-SJORKVTESA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000348892118 156276965 /nfs/dbraw/zinc/27/69/65/156276965.db2.gz HSWWFJVYOKEBNY-OALUTQOASA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc2cccnc12 ZINC000349033462 156325182 /nfs/dbraw/zinc/32/51/82/156325182.db2.gz MVQOCZASASZEDD-UHFFFAOYSA-N 2 0 340.515 3.001 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000349086152 156348594 /nfs/dbraw/zinc/34/85/94/156348594.db2.gz BBYDUOLTOZXZNU-FQEVSTJZSA-N 2 0 343.515 3.163 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352625000 156386476 /nfs/dbraw/zinc/38/64/76/156386476.db2.gz ACLMCWCFWJJBGJ-XSYGEPLQSA-N 2 0 338.536 3.013 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352650933 156399428 /nfs/dbraw/zinc/39/94/28/156399428.db2.gz BJJYTUPMJWXVMK-IAGOWNOFSA-N 2 0 345.487 3.122 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000365404138 157115323 /nfs/dbraw/zinc/11/53/23/157115323.db2.gz OTLNLBYAFLRTBM-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+](CC)CC ZINC000345792016 286739846 /nfs/dbraw/zinc/73/98/46/286739846.db2.gz GHOCBFUHWRDSDV-HOTGVXAUSA-N 2 0 337.533 3.122 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125465633 162273753 /nfs/dbraw/zinc/27/37/53/162273753.db2.gz VYQPNRQNOZBJID-APWZRJJASA-N 3 0 335.561 3.280 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000126243808 162298136 /nfs/dbraw/zinc/29/81/36/162298136.db2.gz FVUAEBLBRODXFC-AWEZNQCLSA-N 2 0 330.451 3.312 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000248434015 163005042 /nfs/dbraw/zinc/00/50/42/163005042.db2.gz DQDLRPHKEMAFQD-JLTOFOAXSA-N 2 0 346.421 3.382 20 0 EGADRP Cc1cc(=O)[nH]c([C@@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000248771740 163034077 /nfs/dbraw/zinc/03/40/77/163034077.db2.gz SUIGKKZXDXTWQI-SJLPKXTDSA-N 2 0 340.471 3.006 20 0 EGADRP Cc1ccc(CCC[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000354350631 166007292 /nfs/dbraw/zinc/00/72/92/166007292.db2.gz FZVSGHIGJMSYEU-QFIPXVFZSA-N 2 0 337.511 3.477 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccc21 ZINC000338780938 163347488 /nfs/dbraw/zinc/34/74/88/163347488.db2.gz OTOOYSDIKBXZGK-OALUTQOASA-N 2 0 344.499 3.490 20 0 EGADRP CCc1nc2cc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)ccc2n1C1CC1 ZINC000338793323 163350595 /nfs/dbraw/zinc/35/05/95/163350595.db2.gz NXYOJAKKYRPNKW-YOEHRIQHSA-N 2 0 326.488 3.363 20 0 EGADRP CCN1CCC([N@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000338923661 163387661 /nfs/dbraw/zinc/38/76/61/163387661.db2.gz YHCTYYURZMCJRZ-UHFFFAOYSA-N 2 0 326.488 3.312 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000343922562 164067245 /nfs/dbraw/zinc/06/72/45/164067245.db2.gz FYIVBLRQWVMEGW-IBGZPJMESA-N 2 0 343.446 3.328 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354816484 166039906 /nfs/dbraw/zinc/03/99/06/166039906.db2.gz UZBUXBVXVNKEOM-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345326880 164203210 /nfs/dbraw/zinc/20/32/10/164203210.db2.gz WDZHDVFJSSNSAF-LJQANCHMSA-N 2 0 336.907 3.475 20 0 EGADRP CCN(CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000354862957 166050259 /nfs/dbraw/zinc/05/02/59/166050259.db2.gz XOBLJWNYEBMJJF-INIZCTEOSA-N 2 0 335.458 3.069 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000350176817 165015870 /nfs/dbraw/zinc/01/58/70/165015870.db2.gz OMNLWJDIJVCLSW-UHFFFAOYSA-N 2 0 330.394 3.401 20 0 EGADRP COCc1cnc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000350262830 165023663 /nfs/dbraw/zinc/02/36/63/165023663.db2.gz IYERBQQWWVLQNP-UHFFFAOYSA-N 2 0 346.500 3.033 20 0 EGADRP CCn1nc(C)c(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000350317575 165029630 /nfs/dbraw/zinc/02/96/30/165029630.db2.gz MDBRNGUJHKPTPD-UHFFFAOYSA-N 2 0 341.503 3.263 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000350954256 165086094 /nfs/dbraw/zinc/08/60/94/165086094.db2.gz YVUGWKDAJIHVKN-UHFFFAOYSA-N 2 0 326.488 3.263 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000355053669 166094638 /nfs/dbraw/zinc/09/46/38/166094638.db2.gz GCQWQEBGSWAJRT-QGZVFWFLSA-N 2 0 345.531 3.138 20 0 EGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000355121368 166112098 /nfs/dbraw/zinc/11/20/98/166112098.db2.gz IFGDIEHYCLVWHS-ACRUOGEOSA-N 2 0 346.515 3.072 20 0 EGADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000355791180 166310629 /nfs/dbraw/zinc/31/06/29/166310629.db2.gz IBXBBEZBIMGUFN-QUCCMNQESA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)Nc1cccc(C[NH+](C)C)c1)C(C)C ZINC000355949697 166357960 /nfs/dbraw/zinc/35/79/60/166357960.db2.gz BOYFONIXBYXXKX-UHFFFAOYSA-N 2 0 334.508 3.331 20 0 EGADRP Cc1cc(C)cc(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000359447355 167159325 /nfs/dbraw/zinc/15/93/25/167159325.db2.gz JKCMYZBHCGFGCY-UHFFFAOYSA-N 2 0 334.508 3.041 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000359508650 167175716 /nfs/dbraw/zinc/17/57/16/167175716.db2.gz DKVVALWNZFBXGT-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000360717870 167396531 /nfs/dbraw/zinc/39/65/31/167396531.db2.gz KDSAZJGEIXQYGR-CVEARBPZSA-N 2 0 348.560 3.355 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1csc(Cl)c1 ZINC000364917727 168001376 /nfs/dbraw/zinc/00/13/76/168001376.db2.gz QUXPGCCUICIACJ-JSGCOSHPSA-N 2 0 327.925 3.221 20 0 EGADRP COCCOc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000366956849 168161597 /nfs/dbraw/zinc/16/15/97/168161597.db2.gz WYJXFSHMXBWXIE-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP C[C@@H]1C[N@H+](Cc2csc3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367029287 168170343 /nfs/dbraw/zinc/17/03/43/168170343.db2.gz LMVFKBVVQPEUNG-VQIMIIECSA-N 2 0 343.540 3.359 20 0 EGADRP C[C@H](NCc1cnc2n1CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436617 168225148 /nfs/dbraw/zinc/22/51/48/168225148.db2.gz GNRYQWPDGKTMBY-HKUYNNGSSA-N 2 0 338.499 3.220 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000367894709 168281489 /nfs/dbraw/zinc/28/14/89/168281489.db2.gz FNLCLYNGMYBEJH-BPUTZDHNSA-N 2 0 334.426 3.483 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1C ZINC000159137881 225154385 /nfs/dbraw/zinc/15/43/85/225154385.db2.gz KKMIRPSZDCSUFU-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000159217028 225172831 /nfs/dbraw/zinc/17/28/31/225172831.db2.gz ZQDUANISRKBBOD-OAQYLSRUSA-N 2 0 330.516 3.407 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000123407391 222272954 /nfs/dbraw/zinc/27/29/54/222272954.db2.gz LNKPSNUFJLEIOI-NJAFHUGGSA-N 2 0 347.503 3.325 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000177523913 265261327 /nfs/dbraw/zinc/26/13/27/265261327.db2.gz JLDOIKZWNZBFRK-QYZOEREBSA-N 2 0 331.504 3.059 20 0 EGADRP CCc1cc(N2CC[NH+](CC3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000178526177 265324279 /nfs/dbraw/zinc/32/42/79/265324279.db2.gz QGTHVBIHFAVLBW-UHFFFAOYSA-N 2 0 339.483 3.346 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178670695 265335488 /nfs/dbraw/zinc/33/54/88/265335488.db2.gz RHWWJHIDHAZIFB-WOJBJXKFSA-N 2 0 343.515 3.196 20 0 EGADRP Cc1ccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)cc1 ZINC000180485992 265403506 /nfs/dbraw/zinc/40/35/06/265403506.db2.gz PAGAZVMAIMJXRU-JOCHJYFZSA-N 2 0 338.495 3.378 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236876913 266218016 /nfs/dbraw/zinc/21/80/16/266218016.db2.gz FHJOWQVQEBFLNY-MOPGFXCFSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000237403228 266233322 /nfs/dbraw/zinc/23/33/22/266233322.db2.gz HBTLLRZHITYAGM-IBGZPJMESA-N 2 0 337.511 3.327 20 0 EGADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000245478294 266259205 /nfs/dbraw/zinc/25/92/05/266259205.db2.gz VFXUMMAPNKKEKF-ZWKOTPCHSA-N 2 0 345.531 3.406 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250121757 266262290 /nfs/dbraw/zinc/26/22/90/266262290.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 2 0 329.532 3.359 20 0 EGADRP CCn1nc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000274432090 267236548 /nfs/dbraw/zinc/23/65/48/267236548.db2.gz MOLCSKUNAOQALO-UHFFFAOYSA-N 2 0 349.482 3.457 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000274577225 267257382 /nfs/dbraw/zinc/25/73/82/267257382.db2.gz JYZDRMPICVKPCO-INIZCTEOSA-N 2 0 345.462 3.201 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000274666526 267270127 /nfs/dbraw/zinc/27/01/27/267270127.db2.gz WVILOXMSLCTYAK-DMKPSLHHSA-N 2 0 335.923 3.202 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274779564 267286659 /nfs/dbraw/zinc/28/66/59/267286659.db2.gz OSRDNQDHSJNOPU-OSTWSGHESA-N 2 0 340.511 3.444 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274884341 267301986 /nfs/dbraw/zinc/30/19/86/267301986.db2.gz IBLPTXFZOZWVSS-QRFRQXIXSA-N 2 0 344.524 3.456 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274919814 267307013 /nfs/dbraw/zinc/30/70/13/267307013.db2.gz LCZGOXBSLBJECS-YQVWRLOYSA-N 2 0 345.531 3.180 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274928853 267307734 /nfs/dbraw/zinc/30/77/34/267307734.db2.gz QNJYOSUNYDPKPG-QRFRQXIXSA-N 2 0 344.524 3.456 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccsc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274951816 267310516 /nfs/dbraw/zinc/31/05/16/267310516.db2.gz VEIJLHYNPMQLLM-KVSKMBFKSA-N 2 0 330.497 3.282 20 0 EGADRP C[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000275638469 267396060 /nfs/dbraw/zinc/39/60/60/267396060.db2.gz LJOVPJRIWLMDMQ-KRWDZBQOSA-N 2 0 346.519 3.033 20 0 EGADRP COC(=O)c1coc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000278391928 268003391 /nfs/dbraw/zinc/00/33/91/268003391.db2.gz DWLDYEGNYOMRSP-HNNXBMFYSA-N 2 0 336.476 3.475 20 0 EGADRP CCCn1c2ccccc2nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278472525 268021806 /nfs/dbraw/zinc/02/18/06/268021806.db2.gz HPQIYZLFSFHGNV-UHFFFAOYSA-N 2 0 326.488 3.410 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000340585033 273871039 /nfs/dbraw/zinc/87/10/39/273871039.db2.gz XUOLTZIDKPQBSO-OAHLLOKOSA-N 2 0 329.271 3.027 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237506976 274388477 /nfs/dbraw/zinc/38/84/77/274388477.db2.gz ILENKOHPWXBYAH-MJGOQNOKSA-N 2 0 331.504 3.065 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911636 275153462 /nfs/dbraw/zinc/15/34/62/275153462.db2.gz HXTNYHYQTLHDPK-KCYZZUKISA-N 2 0 328.460 3.158 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911637 275153592 /nfs/dbraw/zinc/15/35/92/275153592.db2.gz HXTNYHYQTLHDPK-PNBKFKSVSA-N 2 0 328.460 3.158 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000092566970 275154584 /nfs/dbraw/zinc/15/45/84/275154584.db2.gz LNUBIILKIUGQKQ-AEFFLSMTSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000105435390 275166328 /nfs/dbraw/zinc/16/63/28/275166328.db2.gz YJOLDDCHNAVDNV-UHFFFAOYSA-N 2 0 347.503 3.237 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000110964231 275181893 /nfs/dbraw/zinc/18/18/93/275181893.db2.gz DAINYNKQYGAIIH-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263281626 275233468 /nfs/dbraw/zinc/23/34/68/275233468.db2.gz UICVPSPGPJELGG-UYAOXDASSA-N 2 0 331.504 3.052 20 0 EGADRP COc1ccc(F)cc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000275065908 275252663 /nfs/dbraw/zinc/25/26/63/275252663.db2.gz SOLNSCRKUAZVQA-UHFFFAOYSA-N 2 0 346.446 3.455 20 0 EGADRP COc1cccc(C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000278582803 275256298 /nfs/dbraw/zinc/25/62/98/275256298.db2.gz YFNXEXCOLCARFJ-OAQYLSRUSA-N 2 0 328.500 3.480 20 0 EGADRP COc1cccc(C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000278582801 275256309 /nfs/dbraw/zinc/25/63/09/275256309.db2.gz YFNXEXCOLCARFJ-NRFANRHFSA-N 2 0 328.500 3.480 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000279797104 275360401 /nfs/dbraw/zinc/36/04/01/275360401.db2.gz DHKBXUSSKSCELA-OAQYLSRUSA-N 2 0 331.548 3.434 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc(O)cc(F)c3)cc2)CC1 ZINC000283989328 275766111 /nfs/dbraw/zinc/76/61/11/275766111.db2.gz LWYGHDVRBSNXGP-UHFFFAOYSA-N 2 0 344.430 3.294 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000284095236 275774074 /nfs/dbraw/zinc/77/40/74/275774074.db2.gz RTCMUMQTPSEUQW-UHFFFAOYSA-N 2 0 340.467 3.458 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284506607 275805927 /nfs/dbraw/zinc/80/59/27/275805927.db2.gz YAUJTVWJRAJDLW-GHTZIAJQSA-N 2 0 346.515 3.454 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc3occc3c2)ccn1 ZINC000286763719 276041278 /nfs/dbraw/zinc/04/12/78/276041278.db2.gz ZLXWWPYXPVNECJ-UHFFFAOYSA-N 2 0 325.412 3.058 20 0 EGADRP CCC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000158425437 276044988 /nfs/dbraw/zinc/04/49/88/276044988.db2.gz KVASEJHZWIIYCW-FQEVSTJZSA-N 2 0 338.499 3.464 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000286938247 276060386 /nfs/dbraw/zinc/06/03/86/276060386.db2.gz LXJKZNZWYNIFDZ-SJORKVTESA-N 2 0 329.492 3.428 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)C1 ZINC000286969864 276064651 /nfs/dbraw/zinc/06/46/51/276064651.db2.gz IIGNRTHCXVQRBX-IOMROCGXSA-N 2 0 330.516 3.223 20 0 EGADRP CC[NH+]1CCC(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000287183025 276093570 /nfs/dbraw/zinc/09/35/70/276093570.db2.gz VHQXZCWCHBHYAX-FQEVSTJZSA-N 2 0 333.520 3.150 20 0 EGADRP CN(C)C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000287197579 276095339 /nfs/dbraw/zinc/09/53/39/276095339.db2.gz WECYYNMTEVOLJT-LJQANCHMSA-N 2 0 342.462 3.082 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]CCCN2CCc3ccccc3C2)CCO1 ZINC000287691662 276148032 /nfs/dbraw/zinc/14/80/32/276148032.db2.gz NDWIGXBNWIDSNH-SJORKVTESA-N 2 0 342.405 3.134 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccc1-n1ccnn1 ZINC000287711275 276149939 /nfs/dbraw/zinc/14/99/39/276149939.db2.gz XOCNPADKAZESNA-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000343544646 276201511 /nfs/dbraw/zinc/20/15/11/276201511.db2.gz YMHWXSQGKLFDMF-HKUYNNGSSA-N 2 0 333.907 3.039 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc2occc2c1 ZINC000288553292 276227201 /nfs/dbraw/zinc/22/72/01/276227201.db2.gz LRTFVJKLBLSPQW-UHFFFAOYSA-N 2 0 339.439 3.448 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C/C=C/c1ccccc1 ZINC000288559728 276227918 /nfs/dbraw/zinc/22/79/18/276227918.db2.gz MEKZZOQRMSNHTA-UXBLZVDNSA-N 2 0 325.456 3.215 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)N1CC[NH+](C)CC1 ZINC000289276399 276314878 /nfs/dbraw/zinc/31/48/78/276314878.db2.gz PROVDZUOJIFDRZ-OALUTQOASA-N 2 0 329.532 3.112 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000289300228 276318445 /nfs/dbraw/zinc/31/84/45/276318445.db2.gz SAKKDYXKKUSUHZ-OXJNMPFZSA-N 2 0 336.483 3.172 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3csc4ccccc34)CC2)CC1 ZINC000289416813 276335754 /nfs/dbraw/zinc/33/57/54/276335754.db2.gz INPKPCOFNRZKPT-UHFFFAOYSA-N 2 0 343.540 3.361 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000362646661 276337928 /nfs/dbraw/zinc/33/79/28/276337928.db2.gz QAQVRQVYNZEMSA-ICSRJNTNSA-N 2 0 345.531 3.164 20 0 EGADRP COC(=O)CCCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000289707155 276381333 /nfs/dbraw/zinc/38/13/33/276381333.db2.gz GLPOVBUCFKJQQK-SLFFLAALSA-N 2 0 344.499 3.220 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000292102810 276733571 /nfs/dbraw/zinc/73/35/71/276733571.db2.gz OQHDASYQKDEDEH-HXUWFJFHSA-N 2 0 343.515 3.211 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095420256 276926533 /nfs/dbraw/zinc/92/65/33/276926533.db2.gz NZUJISWOIMPWDW-LJQANCHMSA-N 2 0 343.515 3.050 20 0 EGADRP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120564919 278207680 /nfs/dbraw/zinc/20/76/80/278207680.db2.gz BDYJQOYQQALYMW-YVSFHVDLSA-N 2 0 349.544 3.263 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353567538 278300458 /nfs/dbraw/zinc/30/04/58/278300458.db2.gz ZLADAEVTADOIEX-AZUAARDMSA-N 2 0 326.488 3.164 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)c1ccccc1 ZINC000132776872 278335940 /nfs/dbraw/zinc/33/59/40/278335940.db2.gz AHEZYHURXLBKKV-QZTJIDSGSA-N 2 0 330.516 3.443 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000341423308 279140953 /nfs/dbraw/zinc/14/09/53/279140953.db2.gz VFFXTFRKVDVSKD-VQTJNVASSA-N 2 0 343.515 3.156 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000348513501 279187562 /nfs/dbraw/zinc/18/75/62/279187562.db2.gz NGYPQLSVNSBFAM-UHFFFAOYSA-N 2 0 346.519 3.478 20 0 EGADRP C[C@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCCC1 ZINC000303519091 279227329 /nfs/dbraw/zinc/22/73/29/279227329.db2.gz DUDQYPKCJANNIF-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000265317976 279234178 /nfs/dbraw/zinc/23/41/78/279234178.db2.gz QCEWJEZCKAYLJB-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1)C(C)C ZINC000178833745 279234855 /nfs/dbraw/zinc/23/48/55/279234855.db2.gz RJDVUCRSGKPFDJ-INIZCTEOSA-N 2 0 331.504 3.116 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000338023059 279235422 /nfs/dbraw/zinc/23/54/22/279235422.db2.gz JSSBWMYJOSARCU-KRWDZBQOSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000155018106 279313654 /nfs/dbraw/zinc/31/36/54/279313654.db2.gz OQKDGYFNNYFLDV-BEFAXECRSA-N 2 0 335.923 3.333 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000241775926 279366328 /nfs/dbraw/zinc/36/63/28/279366328.db2.gz RQGJKJKJCRVKNJ-DJIMGWMZSA-N 2 0 328.566 3.264 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)CCOC)CC1 ZINC000127283872 279374319 /nfs/dbraw/zinc/37/43/19/279374319.db2.gz HDQLPMBRSAKJNA-JKSUJKDBSA-N 2 0 337.483 3.043 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)CCOC)CC1 ZINC000127284351 279374514 /nfs/dbraw/zinc/37/45/14/279374514.db2.gz HDQLPMBRSAKJNA-HZPDHXFCSA-N 2 0 337.483 3.043 20 0 EGADRP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000361485482 281994777 /nfs/dbraw/zinc/99/47/77/281994777.db2.gz NXPGVAGQEYQPQW-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000245950424 289335899 /nfs/dbraw/zinc/33/58/99/289335899.db2.gz ATXKODODGAVGKS-DLBZAZTESA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237655361 289423257 /nfs/dbraw/zinc/42/32/57/289423257.db2.gz YVUPRNGITKKRTM-ZACQAIPSSA-N 2 0 349.544 3.027 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(OC)c1OC ZINC000369719997 295128573 /nfs/dbraw/zinc/12/85/73/295128573.db2.gz CYHFODJVNCPNJG-UHFFFAOYSA-N 2 0 348.487 3.020 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000178034175 295236501 /nfs/dbraw/zinc/23/65/01/295236501.db2.gz BONBVDDFVZDSHT-JYJNAYRXSA-N 2 0 338.467 3.374 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000137578456 307718092 /nfs/dbraw/zinc/71/80/92/307718092.db2.gz MWCJAPRRHXATJR-IAGOWNOFSA-N 2 0 334.479 3.189 20 0 EGADRP CC[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000151671806 307736934 /nfs/dbraw/zinc/73/69/34/307736934.db2.gz YWTUEFDGFTWOCT-OAQYLSRUSA-N 2 0 329.532 3.158 20 0 EGADRP COCC1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000414314004 309072363 /nfs/dbraw/zinc/07/23/63/309072363.db2.gz PSRXFNGSMROCET-LRYGQEGESA-N 2 0 334.504 3.483 20 0 EGADRP COCC1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000414314005 309072397 /nfs/dbraw/zinc/07/23/97/309072397.db2.gz PSRXFNGSMROCET-MUYFXNHWSA-N 2 0 334.504 3.483 20 0 EGADRP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248422478 308003133 /nfs/dbraw/zinc/00/31/33/308003133.db2.gz YPSYNBPYBYIEQO-NXNFSMPISA-N 2 0 328.500 3.038 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248600568 308006778 /nfs/dbraw/zinc/00/67/78/308006778.db2.gz UYQSOCBRYBRFAF-CUWPLCDZSA-N 2 0 330.516 3.223 20 0 EGADRP COCCCOc1cccc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293199315 308108990 /nfs/dbraw/zinc/10/89/90/308108990.db2.gz XPYAREKNIAVUIO-UHFFFAOYSA-N 2 0 334.504 3.458 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)[C@@H](C)C1 ZINC000293858174 308168410 /nfs/dbraw/zinc/16/84/10/308168410.db2.gz YUPMKKWNPGVJOY-ZFWWWQNUSA-N 2 0 340.895 3.220 20 0 EGADRP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccccc1 ZINC000294958404 308276100 /nfs/dbraw/zinc/27/61/00/308276100.db2.gz JRIDFOXHHBXSLA-QFUCXCTJSA-N 2 0 330.516 3.487 20 0 EGADRP CCOC(=O)c1cc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)[nH]c1C ZINC000295187681 308300936 /nfs/dbraw/zinc/30/09/36/308300936.db2.gz NPTKBWGCDJJITC-UHFFFAOYSA-N 2 0 343.471 3.241 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000296056797 308388988 /nfs/dbraw/zinc/38/89/88/308388988.db2.gz VOBJUCSZDCBQPW-NZKYFMOASA-N 2 0 342.487 3.246 20 0 EGADRP C[C@H](c1ccc(F)cc1F)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414700524 309096039 /nfs/dbraw/zinc/09/60/39/309096039.db2.gz SXMKTZPPJVWNHZ-OAGGEKHMSA-N 2 0 337.458 3.032 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706552 309096466 /nfs/dbraw/zinc/09/64/66/309096466.db2.gz YIBLLRSVGAWGAY-KOUHRCEDSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706554 309096486 /nfs/dbraw/zinc/09/64/86/309096486.db2.gz YIBLLRSVGAWGAY-VURPSTOHSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414668706 309094764 /nfs/dbraw/zinc/09/47/64/309094764.db2.gz AQKHJBYWLGUZBY-VXGBXAGGSA-N 2 0 344.286 3.252 20 0 EGADRP C[C@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414682425 309095456 /nfs/dbraw/zinc/09/54/56/309095456.db2.gz REJZNOVXLXNDDY-FUHWJXTLSA-N 2 0 335.923 3.236 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414738089 309098225 /nfs/dbraw/zinc/09/82/25/309098225.db2.gz OGISERHNRRNHCU-PBASOCQRSA-N 3 0 329.532 3.047 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC[NH2+]1 ZINC000414750727 309098883 /nfs/dbraw/zinc/09/88/83/309098883.db2.gz RKAIZXJGRPOZJA-KWAZRSOSSA-N 2 0 343.298 3.271 20 0 EGADRP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772232 309100046 /nfs/dbraw/zinc/10/00/46/309100046.db2.gz BMBPRWKBDIEHEN-CVEARBPZSA-N 2 0 328.485 3.027 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCO2 ZINC000297785263 308563290 /nfs/dbraw/zinc/56/32/90/308563290.db2.gz WLFKZOVSQSAQRW-IBGZPJMESA-N 2 0 339.439 3.172 20 0 EGADRP CSc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000414777905 309100415 /nfs/dbraw/zinc/10/04/15/309100415.db2.gz IOTLCERJUOMYCG-CABCVRRESA-N 2 0 348.512 3.001 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414779426 309100658 /nfs/dbraw/zinc/10/06/58/309100658.db2.gz KBCOZQQIJYDXKM-GJZGRUSLSA-N 2 0 338.879 3.179 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000297897945 308571128 /nfs/dbraw/zinc/57/11/28/308571128.db2.gz VZQOUJOVLBCDIY-FQEVSTJZSA-N 2 0 344.503 3.028 20 0 EGADRP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782887 309100874 /nfs/dbraw/zinc/10/08/74/309100874.db2.gz PFOKCTFTJLRWBC-IRXDYDNUSA-N 2 0 326.488 3.268 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782232 309100899 /nfs/dbraw/zinc/10/08/99/309100899.db2.gz NZQKPALMHBNLMK-UONOGXRCSA-N 2 0 332.879 3.048 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1OC ZINC000414784952 309100981 /nfs/dbraw/zinc/10/09/81/309100981.db2.gz RVWYVYWFOFTTPJ-KGLIPLIRSA-N 2 0 338.879 3.179 20 0 EGADRP COc1ccc(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298424145 308613048 /nfs/dbraw/zinc/61/30/48/308613048.db2.gz MQIYLLPADOCDJZ-UHFFFAOYSA-N 2 0 325.456 3.281 20 0 EGADRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414803766 309102443 /nfs/dbraw/zinc/10/24/43/309102443.db2.gz OANFFKYTTQNHFP-KBPBESRZSA-N 2 0 346.393 3.243 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414813432 309103145 /nfs/dbraw/zinc/10/31/45/309103145.db2.gz YIOKVNVODHYHAA-UYAOXDASSA-N 2 0 325.456 3.268 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414837592 309104923 /nfs/dbraw/zinc/10/49/23/309104923.db2.gz KLZTWNLANZJJSH-LSDHHAIUSA-N 2 0 337.895 3.345 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000414914539 309108969 /nfs/dbraw/zinc/10/89/69/309108969.db2.gz XRBONBXUYYDXFY-GFCCVEGCSA-N 2 0 344.299 3.387 20 0 EGADRP CC(C)(C)C1CCC(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333166166 308851797 /nfs/dbraw/zinc/85/17/97/308851797.db2.gz OWHKPSKCOFUABX-ZLJKYQPZSA-N 2 0 349.563 3.075 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000390420053 308900963 /nfs/dbraw/zinc/90/09/63/308900963.db2.gz PRBUFTJYOCHKHT-PCCBWWKXSA-N 2 0 338.499 3.332 20 0 EGADRP CC(=O)N(C)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411214733 308931270 /nfs/dbraw/zinc/93/12/70/308931270.db2.gz BKUCUEVOSLJDHO-UHFFFAOYSA-N 2 0 343.515 3.115 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414856617 309105990 /nfs/dbraw/zinc/10/59/90/309105990.db2.gz OQCCXPDQLWZSNQ-APWZRJJASA-N 2 0 325.456 3.138 20 0 EGADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414887204 309107242 /nfs/dbraw/zinc/10/72/42/309107242.db2.gz ZCWOHZAWCAWGPU-QGZVFWFLSA-N 2 0 334.467 3.283 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414888276 309107444 /nfs/dbraw/zinc/10/74/44/309107444.db2.gz FDVWUAIAONIXKL-MRVPVSSYSA-N 2 0 341.171 3.175 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(Cl)c1 ZINC000414897997 309108076 /nfs/dbraw/zinc/10/80/76/309108076.db2.gz APDCJLSLWFJYIB-KBXCAEBGSA-N 2 0 337.895 3.345 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911121 309108807 /nfs/dbraw/zinc/10/88/07/309108807.db2.gz WEKDBMUJEHHZTK-CHWSQXEVSA-N 2 0 343.393 3.154 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[NH2+]1 ZINC000414942496 309110392 /nfs/dbraw/zinc/11/03/92/309110392.db2.gz DOSJCJPOTZVPPM-OCCSQVGLSA-N 2 0 338.377 3.121 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH2+]1 ZINC000414959006 309111435 /nfs/dbraw/zinc/11/14/35/309111435.db2.gz WWAUAHZEVUVITR-LPHOPBHVSA-N 2 0 347.466 3.164 20 0 EGADRP COCC1(C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)CC[NH2+]CC1 ZINC000414975062 309112346 /nfs/dbraw/zinc/11/23/46/309112346.db2.gz NJAPIZOKOIHWKJ-UHFFFAOYSA-N 2 0 345.512 3.224 20 0 EGADRP Cn1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)nc2cc(C(F)(F)F)ccc21 ZINC000414982157 309112721 /nfs/dbraw/zinc/11/27/21/309112721.db2.gz YNPGDDMLOFZVKE-CYBMUJFWSA-N 2 0 340.393 3.214 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000415001004 309113681 /nfs/dbraw/zinc/11/36/81/309113681.db2.gz ULPHTQOYPZNXSS-GXTWGEPZSA-N 2 0 326.868 3.354 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415001729 309113683 /nfs/dbraw/zinc/11/36/83/309113683.db2.gz LIBHWQYAHDCCKV-LZWOXQAQSA-N 2 0 337.895 3.473 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)CCC[NH3+])cc(Br)c1OC ZINC000415027954 309115247 /nfs/dbraw/zinc/11/52/47/309115247.db2.gz XMDITJGMHXWKCO-LLVKDONJSA-N 2 0 345.281 3.073 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000415041583 309116043 /nfs/dbraw/zinc/11/60/43/309116043.db2.gz PZRCWMUGFNQKPV-KBRIMQKVSA-N 2 0 338.879 3.115 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000415043414 309116155 /nfs/dbraw/zinc/11/61/55/309116155.db2.gz RWMYWRMIKYIUHX-KBPBESRZSA-N 2 0 338.377 3.108 20 0 EGADRP CC(C)(C)C(=O)N1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415047004 309116283 /nfs/dbraw/zinc/11/62/83/309116283.db2.gz DIIMVLFTNASUKU-SFHVURJKSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415046336 309116396 /nfs/dbraw/zinc/11/63/96/309116396.db2.gz UZRNVNBXRBUNRD-RAIGVLPGSA-N 2 0 329.257 3.236 20 0 EGADRP COc1ccc([C@H](CN[C@H](C)C[C@@H]2CCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000415074467 309118581 /nfs/dbraw/zinc/11/85/81/309118581.db2.gz ACGBNVFNZLMSCN-LMNJBCLMSA-N 2 0 345.531 3.342 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415076135 309118613 /nfs/dbraw/zinc/11/86/13/309118613.db2.gz CLVZBNMSIDTHQL-IPMKNSEASA-N 2 0 332.488 3.031 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)ccc1OCC(F)(F)F ZINC000415081958 309118992 /nfs/dbraw/zinc/11/89/92/309118992.db2.gz LAZLAFBLYIUZAB-JSGCOSHPSA-N 2 0 346.393 3.114 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415098833 309120199 /nfs/dbraw/zinc/12/01/99/309120199.db2.gz FWEVXBGDKAFMSX-XLIONFOSSA-N 2 0 326.488 3.332 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000415106567 309120658 /nfs/dbraw/zinc/12/06/58/309120658.db2.gz JSWWMVIBMRPXFY-SFTDATJTSA-N 2 0 344.499 3.194 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415111056 309121021 /nfs/dbraw/zinc/12/10/21/309121021.db2.gz BODMJGWROODXBL-PXNSSMCTSA-N 2 0 326.488 3.332 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]1 ZINC000415112858 309121088 /nfs/dbraw/zinc/12/10/88/309121088.db2.gz RBDMKIQDPJGIRN-RBSFLKMASA-N 2 0 334.426 3.056 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC[NH2+]1 ZINC000415115790 309121310 /nfs/dbraw/zinc/12/13/10/309121310.db2.gz USZVWOWEGOYNLF-HUUCEWRRSA-N 2 0 329.419 3.491 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000415115217 309121331 /nfs/dbraw/zinc/12/13/31/309121331.db2.gz WUXFEBIOYWYBBQ-IRXDYDNUSA-N 2 0 326.843 3.197 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415120420 309121739 /nfs/dbraw/zinc/12/17/39/309121739.db2.gz FZMSCFUDIWWGDX-DOMZBBRYSA-N 2 0 348.441 3.184 20 0 EGADRP CC1(C)Cc2cccc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)c2O1 ZINC000415123583 309121886 /nfs/dbraw/zinc/12/18/86/309121886.db2.gz LGQFPHQOTMQGSZ-RBUKOAKNSA-N 2 0 344.499 3.118 20 0 EGADRP c1sc2ccccc2c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415134170 309122794 /nfs/dbraw/zinc/12/27/94/309122794.db2.gz OAGBFCJRQKDHJV-SJORKVTESA-N 2 0 328.481 3.102 20 0 EGADRP NC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133781 309122836 /nfs/dbraw/zinc/12/28/36/309122836.db2.gz NOXBCBCJJOHVNN-VXKWHMMOSA-N 2 0 349.522 3.373 20 0 EGADRP C[N@H+](CCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000415887690 309146102 /nfs/dbraw/zinc/14/61/02/309146102.db2.gz XWUWAFFMIBNNSB-UHFFFAOYSA-N 2 0 344.503 3.108 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000415901688 309147000 /nfs/dbraw/zinc/14/70/00/309147000.db2.gz CHSBBRYUTYWPMF-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000415945798 309150561 /nfs/dbraw/zinc/15/05/61/309150561.db2.gz DYBBCUWRZQKWIA-UHFFFAOYSA-N 2 0 344.503 3.456 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415947920 309150807 /nfs/dbraw/zinc/15/08/07/309150807.db2.gz XLUIGPGKWMAWTM-MJGOQNOKSA-N 2 0 346.519 3.428 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C[NH2+]C)cc2)c1 ZINC000415968075 309151808 /nfs/dbraw/zinc/15/18/08/309151808.db2.gz CFNJYYZUTLAUQM-UHFFFAOYSA-N 2 0 340.471 3.179 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000415980989 309152619 /nfs/dbraw/zinc/15/26/19/309152619.db2.gz UHWVSIAUADZVLR-UHFFFAOYSA-N 2 0 344.503 3.265 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000416147684 309160926 /nfs/dbraw/zinc/16/09/26/309160926.db2.gz RSABZUANDRLNLP-PMACEKPBSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784319 309222097 /nfs/dbraw/zinc/22/20/97/309222097.db2.gz CEXJBXHTSNBFLF-HKUYNNGSSA-N 2 0 326.488 3.213 20 0 EGADRP CN(C)C(=O)c1ccccc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000417904241 309227779 /nfs/dbraw/zinc/22/77/79/309227779.db2.gz UEKLUJXEQDVKMC-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417906635 309227895 /nfs/dbraw/zinc/22/78/95/309227895.db2.gz CKQPMUSNSJOXCJ-DOTOQJQBSA-N 2 0 349.494 3.186 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417908492 309227990 /nfs/dbraw/zinc/22/79/90/309227990.db2.gz BRCVUSJLRZNHBP-QFBILLFUSA-N 2 0 346.519 3.016 20 0 EGADRP COCCCC[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccccc1 ZINC000419722015 309271232 /nfs/dbraw/zinc/27/12/32/309271232.db2.gz CYWXYQGODFLMFZ-GOSISDBHSA-N 2 0 330.476 3.134 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000419901160 309273101 /nfs/dbraw/zinc/27/31/01/309273101.db2.gz SMNJPVMIMPWCMJ-UHFFFAOYSA-N 2 0 343.515 3.325 20 0 EGADRP Clc1ccc(CN2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420296085 309279966 /nfs/dbraw/zinc/27/99/66/309279966.db2.gz DALDVEXHGPCXOY-KRWDZBQOSA-N 2 0 335.923 3.237 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccc2OC)C2CC2)cc1 ZINC000420298719 309280117 /nfs/dbraw/zinc/28/01/17/309280117.db2.gz FWPSCAFISKRZAO-SFHVURJKSA-N 2 0 340.467 3.411 20 0 EGADRP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299634 309280289 /nfs/dbraw/zinc/28/02/89/309280289.db2.gz JCRMLQJAUKUFQB-XPGWFJOJSA-N 2 0 346.902 3.134 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000420300247 309280320 /nfs/dbraw/zinc/28/03/20/309280320.db2.gz JSYFSAAMGSMLKK-ACRUOGEOSA-N 2 0 342.458 3.187 20 0 EGADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420303034 309280467 /nfs/dbraw/zinc/28/04/67/309280467.db2.gz MYMXVYTWXXGSGP-IVOMFYJKSA-N 2 0 338.495 3.104 20 0 EGADRP Cc1noc(CCC[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420308378 309280889 /nfs/dbraw/zinc/28/08/89/309280889.db2.gz JXGHECDIKOGCLM-MRXNPFEDSA-N 2 0 346.500 3.016 20 0 EGADRP Fc1ccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420314533 309281628 /nfs/dbraw/zinc/28/16/28/309281628.db2.gz KFWTUCBIANFMRU-RDTXWAMCSA-N 2 0 328.435 3.352 20 0 EGADRP C[N@H+](CCOc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420318410 309281706 /nfs/dbraw/zinc/28/17/06/309281706.db2.gz WBECURWUVKNTMI-CQSZACIVSA-N 2 0 345.256 3.041 20 0 EGADRP Fc1ccc(C[N@@H+](CCc2ccccn2)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420327250 309282338 /nfs/dbraw/zinc/28/23/38/309282338.db2.gz YJFBOFUAZHZJEU-KRWDZBQOSA-N 2 0 327.447 3.265 20 0 EGADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420327519 309282509 /nfs/dbraw/zinc/28/25/09/309282509.db2.gz LKZQGYLJFWQPOO-SFHVURJKSA-N 2 0 344.499 3.002 20 0 EGADRP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420337851 309283083 /nfs/dbraw/zinc/28/30/83/309283083.db2.gz XHOKUPHYQLDNNH-KGLIPLIRSA-N 2 0 326.843 3.179 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344060 309283535 /nfs/dbraw/zinc/28/35/35/309283535.db2.gz RVRDGXOYAPOXQI-HRCADAONSA-N 2 0 347.528 3.057 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420357347 309283808 /nfs/dbraw/zinc/28/38/08/309283808.db2.gz HKVBEXLJWLAZJF-AWEZNQCLSA-N 2 0 343.393 3.012 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000420389303 309285860 /nfs/dbraw/zinc/28/58/60/309285860.db2.gz XZDWTFFEIOYUSH-VAMGGRTRSA-N 2 0 332.463 3.421 20 0 EGADRP C[NH2+]CCC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420406047 309286675 /nfs/dbraw/zinc/28/66/75/309286675.db2.gz NJFYNUFPQZAWOM-DLBZAZTESA-N 2 0 327.875 3.202 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)CC1 ZINC000420985267 309305900 /nfs/dbraw/zinc/30/59/00/309305900.db2.gz VXALVTTYXYMYPV-UHFFFAOYSA-N 2 0 341.543 3.167 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421371029 309321242 /nfs/dbraw/zinc/32/12/42/309321242.db2.gz XKLNUZWVLWREGA-RTWAWAEBSA-N 2 0 328.500 3.422 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377937 309321696 /nfs/dbraw/zinc/32/16/96/309321696.db2.gz UQHIMHZGLFPEMS-ZLPCBKJTSA-N 2 0 331.504 3.429 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000421402810 309323228 /nfs/dbraw/zinc/32/32/28/309323228.db2.gz MXPWFDFOQAKSBB-JENIJYKNSA-N 2 0 338.536 3.203 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421825798 309341873 /nfs/dbraw/zinc/34/18/73/309341873.db2.gz PICJKDXFJVGBKZ-IRLDBZIGSA-N 2 0 349.522 3.483 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CCCC1 ZINC000421827878 309342010 /nfs/dbraw/zinc/34/20/10/309342010.db2.gz ZXERTUYYMNLDSG-QGZVFWFLSA-N 2 0 334.504 3.454 20 0 EGADRP CON1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000421878442 309344709 /nfs/dbraw/zinc/34/47/09/309344709.db2.gz NIDGIMBLIPQECP-UHFFFAOYSA-N 2 0 331.504 3.045 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1C[NH3+] ZINC000422631149 309362953 /nfs/dbraw/zinc/36/29/53/309362953.db2.gz FBUYXVUWRVOQHI-UWVAXJGDSA-N 2 0 343.515 3.118 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000422635967 309363138 /nfs/dbraw/zinc/36/31/38/309363138.db2.gz MGOBCLROCVPKTH-IPYPFGDCSA-N 2 0 348.878 3.238 20 0 EGADRP Fc1cccc(F)c1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422691907 309363361 /nfs/dbraw/zinc/36/33/61/309363361.db2.gz JDTVXXNNSIBRIF-ICSRJNTNSA-N 2 0 344.405 3.353 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422701546 309363844 /nfs/dbraw/zinc/36/38/44/309363844.db2.gz DFFITFPASIGZSJ-VQIMIIECSA-N 2 0 337.552 3.314 20 0 EGADRP COc1ccccc1[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000422707291 309364029 /nfs/dbraw/zinc/36/40/29/309364029.db2.gz HEYBXCNRWBLJOT-NHJHPMQKSA-N 2 0 343.515 3.095 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)CCC[NH3+])c2)cc1 ZINC000422717937 309364725 /nfs/dbraw/zinc/36/47/25/309364725.db2.gz WLUOTYAVLFHWAP-INIZCTEOSA-N 2 0 325.456 3.464 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000422721475 309364870 /nfs/dbraw/zinc/36/48/70/309364870.db2.gz NYPYRRKTIGBUMM-QGZVFWFLSA-N 2 0 337.467 3.054 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422726327 309365326 /nfs/dbraw/zinc/36/53/26/309365326.db2.gz DOTIJOMEYMKKJM-WMLDXEAASA-N 2 0 343.437 3.387 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCCN(C)c1ccccc1 ZINC000422741364 309366100 /nfs/dbraw/zinc/36/61/00/309366100.db2.gz PRJXZNOKLSZBKC-GHTZIAJQSA-N 2 0 325.500 3.451 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000422747533 309366359 /nfs/dbraw/zinc/36/63/59/309366359.db2.gz QHSONEGLONVEKX-XIKOKIGWSA-N 2 0 348.441 3.080 20 0 EGADRP Fc1ccccc1OCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422755722 309366824 /nfs/dbraw/zinc/36/68/24/309366824.db2.gz KYOUHRAMDDEGLH-FXAWDEMLSA-N 2 0 342.414 3.050 20 0 EGADRP COc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C ZINC000422764815 309367103 /nfs/dbraw/zinc/36/71/03/309367103.db2.gz QKYHMUDYWRHJBI-GHTZIAJQSA-N 2 0 338.451 3.349 20 0 EGADRP COc1ccc(C[C@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000422767325 309367298 /nfs/dbraw/zinc/36/72/98/309367298.db2.gz MUPRBHMBNHELOE-VFNWGFHPSA-N 2 0 340.467 3.185 20 0 EGADRP c1ccc2c(c1)CCN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805187 309369463 /nfs/dbraw/zinc/36/94/63/309369463.db2.gz IREVOFCQRPNANA-YPAWHYETSA-N 2 0 341.543 3.335 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422808198 309369560 /nfs/dbraw/zinc/36/95/60/309369560.db2.gz NTIHAYSAKFGBFW-INIZCTEOSA-N 3 0 338.499 3.295 20 0 EGADRP CCC(CC)[C@@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)[NH+]1CCCC1 ZINC000422818201 309370238 /nfs/dbraw/zinc/37/02/38/309370238.db2.gz JTBKEXKTTZQTDA-MGPUTAFESA-N 2 0 332.536 3.400 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422831039 309370715 /nfs/dbraw/zinc/37/07/15/309370715.db2.gz SDLMYLJNMURVER-XLIONFOSSA-N 2 0 326.488 3.332 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843060 309371438 /nfs/dbraw/zinc/37/14/38/309371438.db2.gz GUVNJEGMDDPPDF-GHTZIAJQSA-N 2 0 338.495 3.283 20 0 EGADRP CC[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000422842949 309371442 /nfs/dbraw/zinc/37/14/42/309371442.db2.gz ZVWBXQWESJWBAF-HXUWFJFHSA-N 2 0 337.467 3.181 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422845364 309371713 /nfs/dbraw/zinc/37/17/13/309371713.db2.gz BREBRSHEEGKOOQ-RYGJVYDSSA-N 2 0 332.488 3.240 20 0 EGADRP CC[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)Oc1cccc(F)c1 ZINC000422857506 309372327 /nfs/dbraw/zinc/37/23/27/309372327.db2.gz YIXCAPCVHWJJLP-GUYCJALGSA-N 2 0 331.435 3.496 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000422873124 309373133 /nfs/dbraw/zinc/37/31/33/309373133.db2.gz KBMZPXXASMNTHJ-VKJFTORMSA-N 2 0 327.472 3.054 20 0 EGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H](C)CCC[NH3+])c2)cc1 ZINC000422881445 309373833 /nfs/dbraw/zinc/37/38/33/309373833.db2.gz NPVOCYZGCIEEKQ-QGZVFWFLSA-N 2 0 339.483 3.142 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422895000 309374818 /nfs/dbraw/zinc/37/48/18/309374818.db2.gz UVUQNXMZGIJRSI-LPHOPBHVSA-N 2 0 341.430 3.295 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000422898119 309375020 /nfs/dbraw/zinc/37/50/20/309375020.db2.gz LFKDDBMLMFCUHZ-HKUYNNGSSA-N 3 0 333.520 3.027 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901316 309375262 /nfs/dbraw/zinc/37/52/62/309375262.db2.gz RXPRHKVCGZYKFB-DJPFJPOOSA-N 2 0 341.474 3.200 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422908880 309375657 /nfs/dbraw/zinc/37/56/57/309375657.db2.gz NAIDEPIVUIETOU-RCBQFDQVSA-N 2 0 344.421 3.325 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422910924 309375752 /nfs/dbraw/zinc/37/57/52/309375752.db2.gz RWCOGLLCFCYBTG-SZMVWBNQSA-N 2 0 334.529 3.433 20 0 EGADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422913298 309375764 /nfs/dbraw/zinc/37/57/64/309375764.db2.gz YDUCFVBRERHJIO-LEWJYISDSA-N 3 0 329.532 3.191 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912128 309375875 /nfs/dbraw/zinc/37/58/75/309375875.db2.gz VMVIXDYATQHORY-RDJZCZTQSA-N 2 0 332.536 3.400 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000422925381 309376425 /nfs/dbraw/zinc/37/64/25/309376425.db2.gz BOUNMMNMGRBTDV-SJORKVTESA-N 2 0 344.842 3.388 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422952039 309377741 /nfs/dbraw/zinc/37/77/41/309377741.db2.gz BJXRSIJWNXPWNW-SJLPKXTDSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(C1CCC1)N(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000422959416 309378272 /nfs/dbraw/zinc/37/82/72/309378272.db2.gz RXJPUQONBWSTPW-SLFFLAALSA-N 2 0 347.547 3.068 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)c2ccccc21 ZINC000422960762 309378505 /nfs/dbraw/zinc/37/85/05/309378505.db2.gz XQIZGLLNULKGFW-MOPGFXCFSA-N 2 0 335.451 3.090 20 0 EGADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422961280 309378603 /nfs/dbraw/zinc/37/86/03/309378603.db2.gz BIINIFDXHHQHAL-ZTNFWEORSA-N 2 0 326.440 3.446 20 0 EGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)C3C[NH2+]C3)s2)cc1 ZINC000422982513 309379442 /nfs/dbraw/zinc/37/94/42/309379442.db2.gz QYAGMRXIQIJCAA-VXGBXAGGSA-N 2 0 331.485 3.386 20 0 EGADRP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422988997 309379687 /nfs/dbraw/zinc/37/96/87/309379687.db2.gz KGYSRPFZIBGLMW-PMNYKWLYSA-N 2 0 346.474 3.418 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1C ZINC000423000517 309380100 /nfs/dbraw/zinc/38/01/00/309380100.db2.gz VIDYZIHFMYZZIP-PCCBWWKXSA-N 2 0 330.516 3.475 20 0 EGADRP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423014996 309380898 /nfs/dbraw/zinc/38/08/98/309380898.db2.gz JUIIPAUVHHOGEA-TVZGQMOCSA-N 2 0 331.435 3.415 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000423014948 309380900 /nfs/dbraw/zinc/38/09/00/309380900.db2.gz JOVOOXGDNNHTHJ-ZSEUIFFHSA-N 2 0 326.843 3.416 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423019427 309381388 /nfs/dbraw/zinc/38/13/88/309381388.db2.gz VOCWJHLUVBNEJA-HUBLWGQQSA-N 2 0 329.282 3.242 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423024929 309381490 /nfs/dbraw/zinc/38/14/90/309381490.db2.gz KFQQKFOHBKQBFG-MLGOLLRUSA-N 2 0 331.287 3.488 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423028184 309381889 /nfs/dbraw/zinc/38/18/89/309381889.db2.gz QJDUIRLIWMYUQD-WMLDXEAASA-N 2 0 344.890 3.432 20 0 EGADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423045442 309382712 /nfs/dbraw/zinc/38/27/12/309382712.db2.gz SBBPVDMHEONVAO-REHHDOPLSA-N 2 0 344.499 3.426 20 0 EGADRP C[C@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C1C[NH2+]C1 ZINC000423044516 309382871 /nfs/dbraw/zinc/38/28/71/309382871.db2.gz ASLPFSJPHLYREC-BJOHPYRUSA-N 2 0 327.241 3.237 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1OC(F)F ZINC000423076844 309384731 /nfs/dbraw/zinc/38/47/31/309384731.db2.gz ZYARAHDIOISEGL-RHSMWYFYSA-N 2 0 334.410 3.379 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000423094011 309385506 /nfs/dbraw/zinc/38/55/06/309385506.db2.gz IXQDXHIFDQDQRO-ZYHUDNBSSA-N 2 0 349.276 3.418 20 0 EGADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423098868 309385925 /nfs/dbraw/zinc/38/59/25/309385925.db2.gz SSTMLZOCVICWPY-RXABAKJHSA-N 2 0 334.891 3.333 20 0 EGADRP C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)C1C[NH2+]C1 ZINC000423106143 309386379 /nfs/dbraw/zinc/38/63/79/309386379.db2.gz OJVSBRWECMHCIX-YVEFUNNKSA-N 2 0 342.405 3.371 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C2CC(C)(c3ccccc3)C2)CC[NH2+]CC1 ZINC000423111410 309386474 /nfs/dbraw/zinc/38/64/74/309386474.db2.gz WRJYJICYQUJMOQ-VQSBYGRUSA-N 2 0 344.499 3.018 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCCC(F)(F)C2)CC[NH2+]CC1 ZINC000423139207 309387914 /nfs/dbraw/zinc/38/79/14/309387914.db2.gz ZHSLUDZKXOTGJQ-GJZGRUSLSA-N 2 0 346.462 3.113 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423142466 309388103 /nfs/dbraw/zinc/38/81/03/309388103.db2.gz VHMDVKIBJUEDPK-QRFRQXIXSA-N 2 0 341.474 3.200 20 0 EGADRP COCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423161628 309388939 /nfs/dbraw/zinc/38/89/39/309388939.db2.gz JKWAFDKYJKKWHH-XLIONFOSSA-N 2 0 330.472 3.039 20 0 EGADRP Brc1cccc2c1OCCC[C@@H]2NC1CC[NH2+]CC1 ZINC000423182951 309389614 /nfs/dbraw/zinc/38/96/14/309389614.db2.gz KQPLYGOBHGCHFW-AWEZNQCLSA-N 2 0 325.250 3.004 20 0 EGADRP CC1CC[NH+](CCC[C@H](N[C@@H]2CC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423209522 309390484 /nfs/dbraw/zinc/39/04/84/309390484.db2.gz GICAGTKZJIRJFU-UXHICEINSA-N 2 0 333.495 3.330 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423213983 309390736 /nfs/dbraw/zinc/39/07/36/309390736.db2.gz KWJDNZBAJPRSDU-OHQAAIJDSA-N 2 0 330.472 3.146 20 0 EGADRP COCCC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000423225202 309391134 /nfs/dbraw/zinc/39/11/34/309391134.db2.gz LRMWMEYDUZRSBA-WFASDCNBSA-N 2 0 329.282 3.244 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423249252 309392252 /nfs/dbraw/zinc/39/22/52/309392252.db2.gz OIGDIJCXYGTIAZ-SJLPKXTDSA-N 2 0 326.488 3.448 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000423249599 309392337 /nfs/dbraw/zinc/39/23/37/309392337.db2.gz OYWKLQRURLPOTE-RYUDHWBXSA-N 2 0 327.266 3.108 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000423255749 309392447 /nfs/dbraw/zinc/39/24/47/309392447.db2.gz ASOKDRMFJDDHFS-AYOQOUSVSA-N 2 0 336.907 3.409 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292797 309394275 /nfs/dbraw/zinc/39/42/75/309394275.db2.gz OLVGUTMRWXQCBJ-HOTGVXAUSA-N 2 0 339.483 3.236 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000423302912 309394392 /nfs/dbraw/zinc/39/43/92/309394392.db2.gz WJPRDPHMWQPZDK-RTBURBONSA-N 2 0 339.483 3.132 20 0 EGADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2C[NH2+]C2)CCC3)cc1 ZINC000423306223 309394718 /nfs/dbraw/zinc/39/47/18/309394718.db2.gz SPXAPMRMUWNQSC-HNNXBMFYSA-N 2 0 329.469 3.005 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423312656 309394778 /nfs/dbraw/zinc/39/47/78/309394778.db2.gz SLMXYAKUHLASAR-MRXNPFEDSA-N 2 0 339.483 3.478 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423314979 309394794 /nfs/dbraw/zinc/39/47/94/309394794.db2.gz XAUZPVYGDBMJBD-LJQANCHMSA-N 2 0 339.483 3.091 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423318127 309394964 /nfs/dbraw/zinc/39/49/64/309394964.db2.gz CCWHGJKULXYPMX-SCTDSRPQSA-N 2 0 345.531 3.197 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000423332856 309395483 /nfs/dbraw/zinc/39/54/83/309395483.db2.gz HITSAQPDRLGGAO-CBNMVNINSA-N 3 0 329.532 3.409 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423339414 309395963 /nfs/dbraw/zinc/39/59/63/309395963.db2.gz ISJOKXLVHSJQTE-NSHDSACASA-N 2 0 327.241 3.029 20 0 EGADRP CC(C)C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423392793 309398444 /nfs/dbraw/zinc/39/84/44/309398444.db2.gz QNSGUPMBSCLMMD-UKRRQHHQSA-N 2 0 349.466 3.261 20 0 EGADRP C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000423399906 309398525 /nfs/dbraw/zinc/39/85/25/309398525.db2.gz VGEGRPJXIJWTRR-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423403234 309398817 /nfs/dbraw/zinc/39/88/17/309398817.db2.gz RUKPWUSVWOQKHJ-VFNWGFHPSA-N 2 0 334.467 3.353 20 0 EGADRP Fc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc2)nc1 ZINC000423450655 309400928 /nfs/dbraw/zinc/40/09/28/309400928.db2.gz XJRURSOEJMARNK-SXLOBPIMSA-N 2 0 325.431 3.288 20 0 EGADRP Cn1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(Cl)cc2)n1 ZINC000423543076 309405795 /nfs/dbraw/zinc/40/57/95/309405795.db2.gz MTXVUZZPKGNDDJ-FXRXJOCMSA-N 2 0 344.890 3.141 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423556877 309406279 /nfs/dbraw/zinc/40/62/79/309406279.db2.gz ZKKUBVPRGHWYLX-GKDNMFGBSA-N 2 0 342.487 3.009 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423744341 309411267 /nfs/dbraw/zinc/41/12/67/309411267.db2.gz NWAGAFPABSTFDV-ICSRJNTNSA-N 2 0 331.504 3.004 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000423832558 309415318 /nfs/dbraw/zinc/41/53/18/309415318.db2.gz ABGJPIVVAOUUAA-ROUUACIJSA-N 2 0 329.488 3.027 20 0 EGADRP CN(c1ccccc1C[NH2+][C@@H]1C[C@H]1C1CCC1)C1CC[NH+](C)CC1 ZINC000424187187 309432263 /nfs/dbraw/zinc/43/22/63/309432263.db2.gz AJTPTQHBFWEXDH-VQTJNVASSA-N 2 0 327.516 3.495 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424272950 309435476 /nfs/dbraw/zinc/43/54/76/309435476.db2.gz VPBAAXPEZGBEKS-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424378224 309441110 /nfs/dbraw/zinc/44/11/10/309441110.db2.gz NLRHNXAYUKVEJD-AZUAARDMSA-N 2 0 345.531 3.026 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424438862 309443881 /nfs/dbraw/zinc/44/38/81/309443881.db2.gz QRRSFPZKANTSOH-PKOBYXMFSA-N 2 0 346.519 3.476 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1O ZINC000426400313 309506221 /nfs/dbraw/zinc/50/62/21/309506221.db2.gz HERDNRPOCMJVJY-KRWDZBQOSA-N 2 0 334.504 3.434 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000430731329 309616352 /nfs/dbraw/zinc/61/63/52/309616352.db2.gz LSSIRMKKQSWQMH-YQVWRLOYSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000430933603 309621474 /nfs/dbraw/zinc/62/14/74/309621474.db2.gz IZICKTOVLXNMJX-VXGBXAGGSA-N 2 0 343.393 3.092 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000431055547 309624472 /nfs/dbraw/zinc/62/44/72/309624472.db2.gz YGJPTBYQACJOLS-OXQOHEQNSA-N 2 0 343.515 3.093 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000433349501 309686889 /nfs/dbraw/zinc/68/68/89/309686889.db2.gz CLHXFNAKPPRFCZ-ROUUACIJSA-N 2 0 333.520 3.162 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000435367988 309729418 /nfs/dbraw/zinc/72/94/18/309729418.db2.gz CZMULMGPQPLJJE-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000438087349 309806059 /nfs/dbraw/zinc/80/60/59/309806059.db2.gz FONZWLIZSFZBAI-INIZCTEOSA-N 2 0 330.447 3.487 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000447812231 309989363 /nfs/dbraw/zinc/98/93/63/309989363.db2.gz KOHJPQHKDIMTQS-OAHLLOKOSA-N 2 0 341.902 3.027 20 0 EGADRP CCN1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449006798 310028292 /nfs/dbraw/zinc/02/82/92/310028292.db2.gz AMFPXRYSMAEQOO-UHFFFAOYSA-N 2 0 330.451 3.142 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCC[C@H]1C ZINC000449082474 310035682 /nfs/dbraw/zinc/03/56/82/310035682.db2.gz NOLKVSAPXALYJH-LMMKCTJWSA-N 2 0 330.520 3.138 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449116146 310038105 /nfs/dbraw/zinc/03/81/05/310038105.db2.gz OPTOARZXDHWXDX-SFHVURJKSA-N 2 0 333.520 3.121 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000449203873 310044339 /nfs/dbraw/zinc/04/43/39/310044339.db2.gz IJEPODNMPXXBKR-CZAAIQMYSA-N 2 0 328.500 3.239 20 0 EGADRP Fc1cnccc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000449207891 310044538 /nfs/dbraw/zinc/04/45/38/310044538.db2.gz RMKYPUSNTSIXFC-UHFFFAOYSA-N 2 0 343.446 3.028 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCC2CCOCC2)CC1 ZINC000449355080 310056321 /nfs/dbraw/zinc/05/63/21/310056321.db2.gz VJTIQAFZJRSSIP-UHFFFAOYSA-N 2 0 345.531 3.125 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000449526244 310069036 /nfs/dbraw/zinc/06/90/36/310069036.db2.gz DLKOZFFYXKQQGI-LJQANCHMSA-N 2 0 334.504 3.454 20 0 EGADRP COC(=O)c1ccc(Cl)c(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000449527604 310069286 /nfs/dbraw/zinc/06/92/86/310069286.db2.gz JSFCDEZHBWFUIQ-UHFFFAOYSA-N 2 0 326.868 3.337 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)n1-c1ccccc1 ZINC000449555479 310071409 /nfs/dbraw/zinc/07/14/09/310071409.db2.gz QJZMLKYAUHKXNU-MBOZVWFJSA-N 2 0 325.456 3.164 20 0 EGADRP CN(c1ccccc1C[NH2+]CCC[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000449678370 310080326 /nfs/dbraw/zinc/08/03/26/310080326.db2.gz AVBYDMGHCLEEHS-SFHVURJKSA-N 2 0 345.531 3.123 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000449699881 310081470 /nfs/dbraw/zinc/08/14/70/310081470.db2.gz ALRVKKPGKNIOEQ-SFHVURJKSA-N 2 0 331.504 3.036 20 0 EGADRP Fc1cc2nccc(NC[C@H]3CN(C4CC4)CCO3)c2cc1Cl ZINC000450318662 310115105 /nfs/dbraw/zinc/11/51/05/310115105.db2.gz OERJLUZXSANUJJ-LBPRGKRZSA-N 2 0 335.810 3.302 20 0 EGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450422400 310121624 /nfs/dbraw/zinc/12/16/24/310121624.db2.gz NAUWXCGVUKCMPO-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000451144599 310162536 /nfs/dbraw/zinc/16/25/36/310162536.db2.gz IVKNAYPCYUMPGY-GVDBMIGSSA-N 2 0 349.485 3.454 20 0 EGADRP CCO[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451522009 310182618 /nfs/dbraw/zinc/18/26/18/310182618.db2.gz ALLZICXHAXKQMF-XRALVEFGSA-N 2 0 338.536 3.036 20 0 EGADRP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453112434 310258729 /nfs/dbraw/zinc/25/87/29/310258729.db2.gz CYFXZYRHYQCUCY-VNTMZGSJSA-N 2 0 348.556 3.133 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453137069 310260353 /nfs/dbraw/zinc/26/03/53/310260353.db2.gz HSACPIFHAOSCDH-TWFHAPMSSA-N 2 0 338.499 3.154 20 0 EGADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453140876 310260451 /nfs/dbraw/zinc/26/04/51/310260451.db2.gz ZRMBEKCVEIXWOC-XRXFAXGQSA-N 2 0 330.516 3.426 20 0 EGADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453140873 310260465 /nfs/dbraw/zinc/26/04/65/310260465.db2.gz ZRMBEKCVEIXWOC-MXEMCNAFSA-N 2 0 330.516 3.426 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](C2CC2)C2CCCC2)cc1 ZINC000453147973 310260905 /nfs/dbraw/zinc/26/09/05/310260905.db2.gz QDYGMWXONHVQEJ-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000453197566 310263573 /nfs/dbraw/zinc/26/35/73/310263573.db2.gz NEVGIHOXPKVPBS-LEWJYISDSA-N 2 0 339.483 3.279 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453228917 310265418 /nfs/dbraw/zinc/26/54/18/310265418.db2.gz ZRLITXXZDHOGAQ-JRGKDQQJSA-N 2 0 328.500 3.180 20 0 EGADRP CC(C)(CO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453274016 310268661 /nfs/dbraw/zinc/26/86/61/310268661.db2.gz JYVNLYFKTISIEN-ZCNNSNEGSA-N 2 0 330.516 3.428 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000453335682 310271603 /nfs/dbraw/zinc/27/16/03/310271603.db2.gz IXRHTBKFTXHMPQ-QHAWAJNXSA-N 2 0 342.527 3.429 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2F)[C@H](C)C1 ZINC000453340907 310271950 /nfs/dbraw/zinc/27/19/50/310271950.db2.gz HFEVQMDCCHVUSM-YLJYHZDGSA-N 2 0 336.495 3.403 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CCC1 ZINC000453369116 310273429 /nfs/dbraw/zinc/27/34/29/310273429.db2.gz FFYKWRMMCDTJNN-XRXFAXGQSA-N 2 0 328.500 3.180 20 0 EGADRP C[N@H+](CCCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CC1 ZINC000453405291 310275439 /nfs/dbraw/zinc/27/54/39/310275439.db2.gz QHSANXRJGROWOB-UHFFFAOYSA-N 2 0 341.499 3.283 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455851965 310379544 /nfs/dbraw/zinc/37/95/44/310379544.db2.gz LQWNCQFMULLYAR-LJQANCHMSA-N 2 0 346.519 3.431 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455855645 310379589 /nfs/dbraw/zinc/37/95/89/310379589.db2.gz NOBYQAIMNVMIEP-BEFAXECRSA-N 2 0 344.503 3.184 20 0 EGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000458205641 310491594 /nfs/dbraw/zinc/49/15/94/310491594.db2.gz SATQPEOGXGABKA-UHFFFAOYSA-N 2 0 345.512 3.014 20 0 EGADRP c1ccc(N2CCC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000459413057 310550940 /nfs/dbraw/zinc/55/09/40/310550940.db2.gz NWXXLTTUSGDYIC-LJQANCHMSA-N 2 0 336.483 3.309 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000476897407 310835831 /nfs/dbraw/zinc/83/58/31/310835831.db2.gz VKPJFOXUICWTAO-ULQDDVLXSA-N 2 0 325.541 3.170 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482485396 310932872 /nfs/dbraw/zinc/93/28/72/310932872.db2.gz BALKKLJXAMTNQE-OALUTQOASA-N 2 0 343.559 3.490 20 0 EGADRP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487013219 311006842 /nfs/dbraw/zinc/00/68/42/311006842.db2.gz CFVWZIZGTKQCDL-IAGOWNOFSA-N 2 0 343.515 3.131 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000487472179 311025198 /nfs/dbraw/zinc/02/51/98/311025198.db2.gz WAWGXJUAFIOYCV-ICSRJNTNSA-N 2 0 343.515 3.274 20 0 EGADRP C[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1Br)C[NH+](C)C ZINC000491546016 311184065 /nfs/dbraw/zinc/18/40/65/311184065.db2.gz MAKVDMDIKZWRJU-VXGBXAGGSA-N 2 0 331.273 3.307 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC[NH2+]C1 ZINC000496039798 311652482 /nfs/dbraw/zinc/65/24/82/311652482.db2.gz BIKSHRNJMDRXAW-XLIONFOSSA-N 2 0 345.487 3.019 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000496186490 311674839 /nfs/dbraw/zinc/67/48/39/311674839.db2.gz CSDKATWURHEYSH-FHERZECASA-N 2 0 327.513 3.142 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497092157 311815739 /nfs/dbraw/zinc/81/57/39/311815739.db2.gz TUBRICKDJCNWBQ-JKSUJKDBSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506474293 312049577 /nfs/dbraw/zinc/04/95/77/312049577.db2.gz MFNWMHHLHGEZOF-ZRNYENFQSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000506872259 312054886 /nfs/dbraw/zinc/05/48/86/312054886.db2.gz BELVROWHNYTKAY-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP CC(C)C[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718458 312100534 /nfs/dbraw/zinc/10/05/34/312100534.db2.gz NTSUXHICHXKHHJ-HMXCVIKNSA-N 2 0 331.548 3.463 20 0 EGADRP C[N@H+](CCOc1ccccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000508876684 312104351 /nfs/dbraw/zinc/10/43/51/312104351.db2.gz VVAVBLBNOWWMNC-AWEZNQCLSA-N 2 0 341.293 3.102 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000509445015 312117361 /nfs/dbraw/zinc/11/73/61/312117361.db2.gz ALOUPYFFXHVJMM-LJQANCHMSA-N 2 0 340.467 3.110 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511569632 312163325 /nfs/dbraw/zinc/16/33/25/312163325.db2.gz FYJVTPRKNUDYIC-FQEVSTJZSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1cc(F)ccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512177847 312178044 /nfs/dbraw/zinc/17/80/44/312178044.db2.gz GJUDAYRKGJUZES-IRXDYDNUSA-N 2 0 334.479 3.455 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512191757 312178541 /nfs/dbraw/zinc/17/85/41/312178541.db2.gz AUAODZSHYXOBQE-ROUUACIJSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000512610502 312189990 /nfs/dbraw/zinc/18/99/90/312189990.db2.gz BTISEBFAJWHLPZ-UWHLTILDSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000514782114 312245118 /nfs/dbraw/zinc/24/51/18/312245118.db2.gz YKFYSQDPPYMEPR-AEFFLSMTSA-N 2 0 325.456 3.138 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cc2)CC1 ZINC000516185300 312313227 /nfs/dbraw/zinc/31/32/27/312313227.db2.gz YWMHKUXABDAECE-FQEVSTJZSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000527653961 312900090 /nfs/dbraw/zinc/90/00/90/312900090.db2.gz NUNUFMDCWWTXIS-HLAWJBBLSA-N 2 0 329.532 3.328 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000527873581 312963210 /nfs/dbraw/zinc/96/32/10/312963210.db2.gz PSQJDEJZMBNRQA-HMXCVIKNSA-N 2 0 330.516 3.365 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528512243 313109056 /nfs/dbraw/zinc/10/90/56/313109056.db2.gz JERDWCANMAVENX-ATKRNPRHSA-N 2 0 342.527 3.493 20 0 EGADRP c1cc2ccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2[nH]1 ZINC000529539941 313349933 /nfs/dbraw/zinc/34/99/33/313349933.db2.gz DFQKZWXRYPQGFM-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP CCn1cncc1CN1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000529639304 313376013 /nfs/dbraw/zinc/37/60/13/313376013.db2.gz ARFGEVQKFKNHHO-FQEVSTJZSA-N 2 0 326.488 3.245 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000532520554 313811126 /nfs/dbraw/zinc/81/11/26/313811126.db2.gz AKGDVMJOZGHKDW-BZSNNMDCSA-N 2 0 325.541 3.124 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3c2cccc3Cl)ccn1 ZINC000537942414 314218754 /nfs/dbraw/zinc/21/87/54/314218754.db2.gz BMRQGZYPALIGOF-GOSISDBHSA-N 2 0 345.874 3.453 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000538691551 314265639 /nfs/dbraw/zinc/26/56/39/314265639.db2.gz FUZUBMMOAUVRPS-OAQYLSRUSA-N 2 0 329.532 3.239 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000549810306 315105924 /nfs/dbraw/zinc/10/59/24/315105924.db2.gz QJEDFCYXBQVIAK-IAGOWNOFSA-N 2 0 336.907 3.488 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000552366568 315216667 /nfs/dbraw/zinc/21/66/67/315216667.db2.gz NLLZDCOTSXHLQL-SFHVURJKSA-N 2 0 345.531 3.267 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000557171443 315500204 /nfs/dbraw/zinc/50/02/04/315500204.db2.gz ONLIHYRHCXSSGR-WOJBJXKFSA-N 2 0 339.483 3.406 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000558560519 315578516 /nfs/dbraw/zinc/57/85/16/315578516.db2.gz KQEBFUVMSAUKJK-KRWDZBQOSA-N 2 0 339.483 3.264 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000563134448 315963283 /nfs/dbraw/zinc/96/32/83/315963283.db2.gz BWSHDMGNQLGPKC-UZLBHIALSA-N 2 0 347.572 3.402 20 0 EGADRP C[C@H]1C[C@H](C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC[NH2+]1 ZINC000563435857 316021830 /nfs/dbraw/zinc/02/18/30/316021830.db2.gz WZZNZOJEAXRWLE-JKSUJKDBSA-N 2 0 339.487 3.039 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000563528272 316033079 /nfs/dbraw/zinc/03/30/79/316033079.db2.gz RMTZQFDMEVTNIG-AQNXPRMDSA-N 2 0 331.504 3.082 20 0 EGADRP Oc1cc(F)cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000564507276 316160021 /nfs/dbraw/zinc/16/00/21/316160021.db2.gz ULUOPPQGRVVGOP-OALUTQOASA-N 2 0 340.442 3.485 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3CCCC[C@@H]3O)C2)s1 ZINC000565049422 316255747 /nfs/dbraw/zinc/25/57/47/316255747.db2.gz PQJBISRBSITQSR-AOIWGVFYSA-N 2 0 336.545 3.361 20 0 EGADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000565115510 316269108 /nfs/dbraw/zinc/26/91/08/316269108.db2.gz IANOCHNLXCEROC-QIJZPMMNSA-N 2 0 329.532 3.184 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1Br ZINC000565357416 316313431 /nfs/dbraw/zinc/31/34/31/316313431.db2.gz UBIMARXKTMYUCA-LBPRGKRZSA-N 2 0 329.282 3.496 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000565534451 316336172 /nfs/dbraw/zinc/33/61/72/316336172.db2.gz GFMFODZKUGMSRO-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000565769263 316368088 /nfs/dbraw/zinc/36/80/88/316368088.db2.gz UQMLACZHHHJPET-XUVXKRRUSA-N 2 0 329.488 3.088 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000565860653 316379196 /nfs/dbraw/zinc/37/91/96/316379196.db2.gz NORNFWGYLNEQTO-HXUWFJFHSA-N 2 0 333.520 3.437 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567982759 316704981 /nfs/dbraw/zinc/70/49/81/316704981.db2.gz OFKPNBQGLUMUGY-SFHVURJKSA-N 2 0 325.456 3.475 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295744 317036262 /nfs/dbraw/zinc/03/62/62/317036262.db2.gz MAPNZNMZULWZCW-CVEARBPZSA-N 2 0 344.503 3.146 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000570450643 317057890 /nfs/dbraw/zinc/05/78/90/317057890.db2.gz NUIGZKRXIBAVQS-OXJNMPFZSA-N 2 0 347.572 3.402 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000572361887 317328201 /nfs/dbraw/zinc/32/82/01/317328201.db2.gz HOMNPRALDQSPBV-FQEVSTJZSA-N 2 0 339.483 3.301 20 0 EGADRP CCCCN(C)C[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000572532043 317352485 /nfs/dbraw/zinc/35/24/85/317352485.db2.gz UIJLOJCDCJFGOU-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP Fc1ccc(Br)c(F)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230309920 456135638 /nfs/dbraw/zinc/13/56/38/456135638.db2.gz AVTGATRPRLDBCG-GHMZBOCLSA-N 2 0 345.231 3.444 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000171948317 323263052 /nfs/dbraw/zinc/26/30/52/323263052.db2.gz IQIGTKOFWIAVKW-QGZVFWFLSA-N 2 0 345.531 3.054 20 0 EGADRP CC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000174371107 323305830 /nfs/dbraw/zinc/30/58/30/323305830.db2.gz ONGBVTXQYHWOCU-NQKNOSNGSA-N 2 0 343.515 3.052 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]C(C1CC1)C1CC1 ZINC000183496557 323618866 /nfs/dbraw/zinc/61/88/66/323618866.db2.gz JQQVZORTTWIZOK-UHFFFAOYSA-N 2 0 328.500 3.482 20 0 EGADRP CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000386866194 324269902 /nfs/dbraw/zinc/26/99/02/324269902.db2.gz VFRSSWBEZRQLOY-ICSRJNTNSA-N 2 0 343.515 3.017 20 0 EGADRP CCc1ncc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000414316263 324298991 /nfs/dbraw/zinc/29/89/91/324298991.db2.gz HVLOMJHFCSBOTF-OAHLLOKOSA-N 2 0 330.501 3.102 20 0 EGADRP CC(C)(C)[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000575181503 324433276 /nfs/dbraw/zinc/43/32/76/324433276.db2.gz JAOOORHYCUSXBE-MRXNPFEDSA-N 2 0 343.437 3.287 20 0 EGADRP FC(F)(F)COc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000576160147 324558060 /nfs/dbraw/zinc/55/80/60/324558060.db2.gz YLBFJEZUUQBJAE-HNNXBMFYSA-N 2 0 342.405 3.449 20 0 EGADRP CCc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000577511232 324819927 /nfs/dbraw/zinc/81/99/27/324819927.db2.gz ZFUQSWQYPJXAPJ-SFHVURJKSA-N 2 0 339.483 3.488 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000579715145 325149837 /nfs/dbraw/zinc/14/98/37/325149837.db2.gz QOJPSTRBBJRNGY-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP Cc1ccc2ccccc2c1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000581491615 325365848 /nfs/dbraw/zinc/36/58/48/325365848.db2.gz BBWLCGQTLYRSBQ-UHFFFAOYSA-N 2 0 338.495 3.475 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1)CC(C)C ZINC000358739972 458183491 /nfs/dbraw/zinc/18/34/91/458183491.db2.gz GNRLSFRRTYONHS-GOSISDBHSA-N 2 0 339.568 3.322 20 0 EGADRP Oc1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1Br ZINC000459355441 458340707 /nfs/dbraw/zinc/34/07/07/458340707.db2.gz MZLCHOBFTXKQCD-AWEZNQCLSA-N 2 0 349.228 3.203 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1(CC)CC ZINC000432408820 458734124 /nfs/dbraw/zinc/73/41/24/458734124.db2.gz VOOXZNNJEYQEOI-KZNAEPCWSA-N 2 0 326.525 3.061 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCc1cncn1C ZINC000530355054 458753779 /nfs/dbraw/zinc/75/37/79/458753779.db2.gz ZQNIYCNZGJEJNL-NSHDSACASA-N 2 0 340.240 3.085 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173321719 455266014 /nfs/dbraw/zinc/26/60/14/455266014.db2.gz MCPUXSGLKVOXHF-CABCVRRESA-N 2 0 343.437 3.382 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000173339972 455268875 /nfs/dbraw/zinc/26/88/75/455268875.db2.gz CJFRHPCFZKCOCY-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000158179474 455277144 /nfs/dbraw/zinc/27/71/44/455277144.db2.gz SUUJOKQMAXMTCY-YUXAGFNASA-N 2 0 338.495 3.233 20 0 EGADRP COc1cccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)co2)c1 ZINC000631827526 460574435 /nfs/dbraw/zinc/57/44/35/460574435.db2.gz PXSOYERAOZXOQO-IBGZPJMESA-N 2 0 341.455 3.314 20 0 EGADRP COc1cc(N[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc(OC)c1 ZINC000245733625 455368086 /nfs/dbraw/zinc/36/80/86/455368086.db2.gz WJDQJWDJBUVHCO-AEFFLSMTSA-N 2 0 347.503 3.064 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000081283281 453855702 /nfs/dbraw/zinc/85/57/02/453855702.db2.gz QIPYYABODWZEMV-FXAWDEMLSA-N 2 0 343.515 3.012 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000053404568 453877329 /nfs/dbraw/zinc/87/73/29/453877329.db2.gz IMSMXTHBSYJHQA-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000066960844 453889807 /nfs/dbraw/zinc/88/98/07/453889807.db2.gz WJORKJUWUYJPEW-FQEVSTJZSA-N 2 0 345.531 3.260 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000066960588 453890384 /nfs/dbraw/zinc/89/03/84/453890384.db2.gz UXMODMFGTPTGCB-QGZVFWFLSA-N 2 0 331.504 3.458 20 0 EGADRP C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524274 454064449 /nfs/dbraw/zinc/06/44/49/454064449.db2.gz HNPHTXNJWYSGGH-KRWDZBQOSA-N 2 0 343.515 3.018 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510719 454157639 /nfs/dbraw/zinc/15/76/39/454157639.db2.gz ODHWJNYIKMVRQV-FUHIMQAGSA-N 2 0 343.515 3.131 20 0 EGADRP [NH3+][C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000119643250 454209979 /nfs/dbraw/zinc/20/99/79/454209979.db2.gz VKFQQXZZCPRGDJ-AZUAARDMSA-N 2 0 343.515 3.191 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000131123492 454236378 /nfs/dbraw/zinc/23/63/78/454236378.db2.gz TYNSSMGGPBUHJF-LBPRGKRZSA-N 2 0 347.272 3.207 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000059384478 454257865 /nfs/dbraw/zinc/25/78/65/454257865.db2.gz NLAYTGOEXJTLAY-QZTJIDSGSA-N 2 0 345.531 3.123 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000191059625 455434260 /nfs/dbraw/zinc/43/42/60/455434260.db2.gz FFJCIDNJYORGTB-BURNTYAHSA-N 2 0 333.564 3.469 20 0 EGADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132309245 454327926 /nfs/dbraw/zinc/32/79/26/454327926.db2.gz TVTYORKRFRLSPX-PKOBYXMFSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000047148320 454333850 /nfs/dbraw/zinc/33/38/50/454333850.db2.gz BSMNTEUTFCFHLG-GOSISDBHSA-N 2 0 343.515 3.134 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)N1CC[NH+](C)CC1 ZINC000132378265 454334544 /nfs/dbraw/zinc/33/45/44/454334544.db2.gz AGUNOKXJPDYVFY-KSSFIOAISA-N 2 0 341.902 3.402 20 0 EGADRP Cc1cnccc1CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090847029 454345446 /nfs/dbraw/zinc/34/54/46/454345446.db2.gz VUTKNGBULNIBCR-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc(C)c1F ZINC000132571482 454349941 /nfs/dbraw/zinc/34/99/41/454349941.db2.gz JENWSXYMVFUJSJ-HKUYNNGSSA-N 2 0 335.511 3.365 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000120889711 454360798 /nfs/dbraw/zinc/36/07/98/454360798.db2.gz CQRIJQFBSLSIEW-UHFFFAOYSA-N 2 0 338.879 3.118 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000121058517 454385570 /nfs/dbraw/zinc/38/55/70/454385570.db2.gz NMMMIIIOKGAFNW-CTNGQTDRSA-N 2 0 331.548 3.035 20 0 EGADRP CCC[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC[NH2+]CC1 ZINC000097095612 454405264 /nfs/dbraw/zinc/40/52/64/454405264.db2.gz AGRAWFTYSVPCMB-HXUWFJFHSA-N 2 0 332.488 3.208 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000121232181 454409520 /nfs/dbraw/zinc/40/95/20/454409520.db2.gz OTNQRKYWPGHLAV-UONOGXRCSA-N 2 0 343.437 3.028 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000073303311 454418584 /nfs/dbraw/zinc/41/85/84/454418584.db2.gz HXWUGHKSFIVXIX-QGZVFWFLSA-N 2 0 347.503 3.078 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000091282927 454421315 /nfs/dbraw/zinc/42/13/15/454421315.db2.gz WSNXJNAJLUYUFD-OAQYLSRUSA-N 2 0 338.499 3.320 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000047973573 454426478 /nfs/dbraw/zinc/42/64/78/454426478.db2.gz NUWNHGDNDSCILV-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091320700 454427172 /nfs/dbraw/zinc/42/71/72/454427172.db2.gz WTWGCWVVLNMKID-NQIIRXRSSA-N 2 0 347.547 3.256 20 0 EGADRP CC(C)[NH+](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000073525397 454446461 /nfs/dbraw/zinc/44/64/61/454446461.db2.gz BPRMQPDFLYKVAT-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP CCCN(CC[NH+](CC)CC)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000133782877 454467499 /nfs/dbraw/zinc/46/74/99/454467499.db2.gz PHMIPUNBJJRSNY-UHFFFAOYSA-N 2 0 340.556 3.013 20 0 EGADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564624 454498551 /nfs/dbraw/zinc/49/85/51/454498551.db2.gz ICPRPMGXCAMBNN-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143011 454540080 /nfs/dbraw/zinc/54/00/80/454540080.db2.gz QXLBGZCQTORBOY-SFHVURJKSA-N 2 0 345.531 3.087 20 0 EGADRP CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000134563823 454560766 /nfs/dbraw/zinc/56/07/66/454560766.db2.gz KIFPGSFTLLZYQS-LAUBAEHRSA-N 2 0 343.515 3.209 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000104136974 454575258 /nfs/dbraw/zinc/57/52/58/454575258.db2.gz BUGFAFWMYHGNCY-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123170775 454610459 /nfs/dbraw/zinc/61/04/59/454610459.db2.gz WVHNFORIRHSYEJ-RTWAWAEBSA-N 2 0 343.559 3.432 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000092746321 454624114 /nfs/dbraw/zinc/62/41/14/454624114.db2.gz CSWITFUJXQXBLL-ZBFHGGJFSA-N 2 0 339.549 3.411 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](COC)Cc2ccccc2)c1 ZINC000123945587 454688785 /nfs/dbraw/zinc/68/87/85/454688785.db2.gz TXXWOAUKIAAXHU-NRFANRHFSA-N 2 0 326.484 3.486 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc(C)c1F ZINC000124536427 454745859 /nfs/dbraw/zinc/74/58/59/454745859.db2.gz WRABDIBBORTXBU-KRWDZBQOSA-N 2 0 335.511 3.367 20 0 EGADRP Cc1nc(CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000124766962 454768361 /nfs/dbraw/zinc/76/83/61/454768361.db2.gz MVWBRNTTYHKSOH-SFHVURJKSA-N 2 0 329.513 3.448 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124778204 454768867 /nfs/dbraw/zinc/76/88/67/454768867.db2.gz GYPWWKSMYUJTCL-QRWLVFNGSA-N 2 0 346.446 3.150 20 0 EGADRP COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162556424 454783200 /nfs/dbraw/zinc/78/32/00/454783200.db2.gz NZMMHXPTCZJWKF-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125073288 454795517 /nfs/dbraw/zinc/79/55/17/454795517.db2.gz PSAUMABUXZBHOF-YESZJQIVSA-N 2 0 339.524 3.238 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]Cc3ccccn3)CC2)cc1 ZINC000176984393 454807882 /nfs/dbraw/zinc/80/78/82/454807882.db2.gz YGKZOJGKWVXSLY-UHFFFAOYSA-N 2 0 339.483 3.243 20 0 EGADRP C(CC[N@@H+]1CCOC2(CCCC2)C1)C[NH+]1CCOC2(CCCC2)C1 ZINC000139680172 454810355 /nfs/dbraw/zinc/81/03/55/454810355.db2.gz MBLLMCGLYGZKFJ-UHFFFAOYSA-N 2 0 336.520 3.057 20 0 EGADRP C[NH+](C)C[C@@H]1CCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000125497955 454826504 /nfs/dbraw/zinc/82/65/04/454826504.db2.gz YXJOQRPLQKRXHR-KRWDZBQOSA-N 2 0 325.456 3.044 20 0 EGADRP Fc1cc2c(c(F)c1F)[C@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000635011927 460655834 /nfs/dbraw/zinc/65/58/34/460655834.db2.gz QHMFNLSPTDZLLD-CQSZACIVSA-N 2 0 348.372 3.008 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000125762933 454844552 /nfs/dbraw/zinc/84/45/52/454844552.db2.gz GFSPORZIXPLOHN-IRXDYDNUSA-N 2 0 345.487 3.414 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC000177343103 454853783 /nfs/dbraw/zinc/85/37/83/454853783.db2.gz MQPNNBMIWNRHRA-FUHIMQAGSA-N 2 0 334.504 3.483 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163852779 454867014 /nfs/dbraw/zinc/86/70/14/454867014.db2.gz GGCYWOMQTGSDTL-WOJBJXKFSA-N 2 0 343.515 3.196 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000177473910 454867970 /nfs/dbraw/zinc/86/79/70/454867970.db2.gz IJGAWIWUGQMYIK-MISYRCLQSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000164180613 454876140 /nfs/dbraw/zinc/87/61/40/454876140.db2.gz HHESCWFJXWIJLA-NQIIRXRSSA-N 3 0 329.532 3.492 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000164744613 454888544 /nfs/dbraw/zinc/88/85/44/454888544.db2.gz QNMJFZCVBPXKBM-PMACEKPBSA-N 2 0 345.531 3.442 20 0 EGADRP CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000126416260 454892169 /nfs/dbraw/zinc/89/21/69/454892169.db2.gz LVFLJRWHSOWJGR-LPHOPBHVSA-N 2 0 331.504 3.017 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000112683970 454896508 /nfs/dbraw/zinc/89/65/08/454896508.db2.gz HPMJXMNWNGLPOZ-OAQYLSRUSA-N 2 0 346.515 3.026 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@H](C)C1 ZINC000177910799 454918679 /nfs/dbraw/zinc/91/86/79/454918679.db2.gz IHHQHJVGZOOIEB-PBHICJAKSA-N 2 0 337.895 3.379 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150993583 454923322 /nfs/dbraw/zinc/92/33/22/454923322.db2.gz YCOZFUDBJNIOIO-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000182325995 455488877 /nfs/dbraw/zinc/48/88/77/455488877.db2.gz HGEDDOCMLAOBBQ-UXHICEINSA-N 2 0 333.495 3.065 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+][C@@H]2CSCCc3ccccc32)C[C@H](C)O1 ZINC000178039593 454929455 /nfs/dbraw/zinc/92/94/55/454929455.db2.gz KAPDSUHAWGLRGJ-ABSDTBQOSA-N 2 0 348.556 3.496 20 0 EGADRP CCC[N@H+](CC)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151062042 454932312 /nfs/dbraw/zinc/93/23/12/454932312.db2.gz DUFSPIYUEIBMCK-UHFFFAOYSA-N 2 0 346.563 3.039 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000113934063 454939015 /nfs/dbraw/zinc/93/90/15/454939015.db2.gz WAOBUVXLJVAVKW-CEWLAPEOSA-N 2 0 330.516 3.176 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000127421839 454962936 /nfs/dbraw/zinc/96/29/36/454962936.db2.gz MBRPIEGGTWIMEY-QWHCGFSZSA-N 2 0 330.303 3.280 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013930 460656787 /nfs/dbraw/zinc/65/67/87/460656787.db2.gz JYZHUDIBBIRXLB-WZGPROSRSA-N 2 0 336.907 3.316 20 0 EGADRP COc1ccc2cc([C@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)ccc2c1 ZINC000127795206 454997822 /nfs/dbraw/zinc/99/78/22/454997822.db2.gz GTSIWQNYRIBKCC-SJORKVTESA-N 2 0 341.499 3.135 20 0 EGADRP CC[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC000151681774 455016294 /nfs/dbraw/zinc/01/62/94/455016294.db2.gz QRYSUXHPDKLJIT-NRFANRHFSA-N 2 0 347.522 3.297 20 0 EGADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000128018334 455018432 /nfs/dbraw/zinc/01/84/32/455018432.db2.gz WSCGZMRVLHMQJT-RKVPGOIHSA-N 2 0 332.492 3.035 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000155668147 455029429 /nfs/dbraw/zinc/02/94/29/455029429.db2.gz QFEQDIAHEZZUOJ-KBPBESRZSA-N 2 0 327.875 3.156 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC(F)F ZINC000623655163 460660828 /nfs/dbraw/zinc/66/08/28/460660828.db2.gz PSKIPEAYLSEURL-CQSZACIVSA-N 2 0 328.403 3.118 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000117985491 455097429 /nfs/dbraw/zinc/09/74/29/455097429.db2.gz QETBHJSQMWVEPY-FGTMMUONSA-N 2 0 337.552 3.218 20 0 EGADRP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841200 455113343 /nfs/dbraw/zinc/11/33/43/455113343.db2.gz JSXMXCQYIGBPHT-HNNXBMFYSA-N 2 0 330.394 3.401 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccncc1 ZINC000156440861 455118775 /nfs/dbraw/zinc/11/87/75/455118775.db2.gz VWQUOTAREMFTCB-WIYYLYMNSA-N 2 0 338.499 3.111 20 0 EGADRP CN(Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152493390 455126379 /nfs/dbraw/zinc/12/63/79/455126379.db2.gz RULXFHLHXGHUHZ-GFCCVEGCSA-N 2 0 341.286 3.415 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCCCC1 ZINC000119197882 455131589 /nfs/dbraw/zinc/13/15/89/455131589.db2.gz AWBSGPOGXZPPBY-IHPCNDPISA-N 2 0 345.531 3.152 20 0 EGADRP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623657081 460664961 /nfs/dbraw/zinc/66/49/61/460664961.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000180497347 455183371 /nfs/dbraw/zinc/18/33/71/455183371.db2.gz YSXHLPNHCFVMEX-HKUYNNGSSA-N 2 0 335.561 3.029 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237535778 455192945 /nfs/dbraw/zinc/19/29/45/455192945.db2.gz PEVVDAGLESNBHO-IEBWSBKVSA-N 2 0 331.504 3.095 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237582938 455196123 /nfs/dbraw/zinc/19/61/23/455196123.db2.gz SXSSPFGMHXQAPL-AZUAARDMSA-N 2 0 345.531 3.407 20 0 EGADRP Cc1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)sc1C ZINC000182965764 455200788 /nfs/dbraw/zinc/20/07/88/455200788.db2.gz JHXRFGJCVUQNAX-UHFFFAOYSA-N 2 0 337.533 3.084 20 0 EGADRP CC(C)[NH+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000183039406 455214774 /nfs/dbraw/zinc/21/47/74/455214774.db2.gz WRYXLFBJDMLGEP-UHFFFAOYSA-N 2 0 349.544 3.293 20 0 EGADRP CC(C)OC1CC([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000189533604 455216307 /nfs/dbraw/zinc/21/63/07/455216307.db2.gz KLIXJKCFWBQDGN-ZLPCBKJTSA-N 2 0 349.494 3.184 20 0 EGADRP CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000183054147 455218316 /nfs/dbraw/zinc/21/83/16/455218316.db2.gz SKQHKSHQNNTWEV-SQNIBIBYSA-N 2 0 345.531 3.180 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)n1 ZINC000245305032 455281959 /nfs/dbraw/zinc/28/19/59/455281959.db2.gz HRBXCNAGMIKIGO-FPOVZHCZSA-N 2 0 338.499 3.248 20 0 EGADRP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1=O ZINC000245478349 455310429 /nfs/dbraw/zinc/31/04/29/455310429.db2.gz VJMOVUBXYSAYLG-XLIONFOSSA-N 2 0 343.515 3.160 20 0 EGADRP CC(=O)c1ccc(NC(=O)CCN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173635489 455320104 /nfs/dbraw/zinc/32/01/04/455320104.db2.gz YIGYBMYYSRUYIR-IBGZPJMESA-N 2 0 345.487 3.024 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000183949116 455342831 /nfs/dbraw/zinc/34/28/31/455342831.db2.gz RFVLDSGTGXMMGF-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000184316565 455370425 /nfs/dbraw/zinc/37/04/25/455370425.db2.gz YAAIMDKKGYUNPH-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000245835887 455383419 /nfs/dbraw/zinc/38/34/19/455383419.db2.gz AOYLCNKVDJCYOM-NQIIRXRSSA-N 2 0 338.499 3.111 20 0 EGADRP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000246288637 455464675 /nfs/dbraw/zinc/46/46/75/455464675.db2.gz OQNIKYSCAMROBV-MRXNPFEDSA-N 2 0 329.488 3.484 20 0 EGADRP c1cc(OCC2CC2)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000191228675 455467329 /nfs/dbraw/zinc/46/73/29/455467329.db2.gz CITHCFDLWRNNSN-UHFFFAOYSA-N 2 0 344.499 3.020 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247133153 455565104 /nfs/dbraw/zinc/56/51/04/455565104.db2.gz ZVSVKQJSVXYBQE-SLHNCBLASA-N 2 0 349.563 3.361 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000247138886 455565312 /nfs/dbraw/zinc/56/53/12/455565312.db2.gz WBGGPKDBIBWELF-JYRKZWEQSA-N 2 0 329.532 3.450 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC000247150001 455565690 /nfs/dbraw/zinc/56/56/90/455565690.db2.gz SVCTUTLUUFGRPF-QKLQHJQFSA-N 2 0 336.495 3.483 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000247150847 455565721 /nfs/dbraw/zinc/56/57/21/455565721.db2.gz SXWNCXWAHWGZSW-PXNSSMCTSA-N 2 0 327.472 3.309 20 0 EGADRP C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3cc(O)cc(F)c3)c2)CCO1 ZINC000185490354 455566004 /nfs/dbraw/zinc/56/60/04/455566004.db2.gz QQUMSWVVJWZQET-OAHLLOKOSA-N 2 0 344.430 3.042 20 0 EGADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC1 ZINC000247186134 455570130 /nfs/dbraw/zinc/57/01/30/455570130.db2.gz VMGYJLFDADWUQS-NRSPTQNISA-N 2 0 344.547 3.002 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247210969 455573516 /nfs/dbraw/zinc/57/35/16/455573516.db2.gz CJJSENGFGMBAST-SJLPKXTDSA-N 2 0 331.504 3.382 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC000182744042 455579517 /nfs/dbraw/zinc/57/95/17/455579517.db2.gz IRMPHYSRUIXVLQ-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc(O)c3)cc2)CC1 ZINC000283818118 455599386 /nfs/dbraw/zinc/59/93/86/455599386.db2.gz CLTSANDNVWUHIZ-UHFFFAOYSA-N 2 0 326.440 3.155 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767179 455618224 /nfs/dbraw/zinc/61/82/24/455618224.db2.gz MPKLUMRPMDMLHM-JKSUJKDBSA-N 2 0 347.478 3.397 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767232 455618522 /nfs/dbraw/zinc/61/85/22/455618522.db2.gz MPKLUMRPMDMLHM-CVEARBPZSA-N 2 0 347.478 3.397 20 0 EGADRP CCN1CCC[C@H]1C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993261 455620434 /nfs/dbraw/zinc/62/04/34/455620434.db2.gz HLBJOGQFJJCMSE-ROUUACIJSA-N 2 0 345.487 3.114 20 0 EGADRP Cc1ccc(-c2ccc(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)o2)cc1 ZINC000185869678 455638167 /nfs/dbraw/zinc/63/81/67/455638167.db2.gz QDRYUYYETZZGPU-SFHVURJKSA-N 2 0 341.499 3.371 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1Cl ZINC000247954135 455659537 /nfs/dbraw/zinc/65/95/37/455659537.db2.gz FIIARRFAZJGLCR-ZFWWWQNUSA-N 2 0 328.859 3.367 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc2c(c1)CCC2 ZINC000271520846 455670346 /nfs/dbraw/zinc/67/03/46/455670346.db2.gz PORSUSBZDJLNKE-IWMITWMQSA-N 2 0 328.500 3.204 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000271523723 455671360 /nfs/dbraw/zinc/67/13/60/455671360.db2.gz VJBVBINQAWACET-NQIIRXRSSA-N 2 0 348.531 3.354 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)CCc2ccccc2)CC1 ZINC000192732005 455680793 /nfs/dbraw/zinc/68/07/93/455680793.db2.gz SCTVFMDBFCPMLK-UHFFFAOYSA-N 2 0 331.548 3.404 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)(C)c1ccccc1 ZINC000271571802 455687914 /nfs/dbraw/zinc/68/79/14/455687914.db2.gz YTWHKVDWEQRDMP-VDGAXYAQSA-N 2 0 330.516 3.320 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCC2 ZINC000271575297 455689340 /nfs/dbraw/zinc/68/93/40/455689340.db2.gz ZGCCKNYNDIUBTN-NJDAHSKKSA-N 2 0 344.499 3.040 20 0 EGADRP CC(C)Oc1cccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192778640 455691193 /nfs/dbraw/zinc/69/11/93/455691193.db2.gz QOIXXRGQCPALRK-UHFFFAOYSA-N 2 0 347.547 3.322 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248179710 455694725 /nfs/dbraw/zinc/69/47/25/455694725.db2.gz WESYGGOQZNJSMR-DAYGRLMNSA-N 2 0 347.528 3.152 20 0 EGADRP CC[NH+]1CCN(c2cccc(NCc3cn4cc(C)ccc4n3)c2)CC1 ZINC000284518897 455700294 /nfs/dbraw/zinc/70/02/94/455700294.db2.gz YXOUZKJVVFBDCX-UHFFFAOYSA-N 2 0 349.482 3.397 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000268713984 455711781 /nfs/dbraw/zinc/71/17/81/455711781.db2.gz FNSJAIIYXRFTIF-MRXNPFEDSA-N 2 0 332.492 3.353 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1F ZINC000248450989 455715854 /nfs/dbraw/zinc/71/58/54/455715854.db2.gz PHPVIVWZSIHPRO-CRAIPNDOSA-N 2 0 328.431 3.243 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000271768622 455752967 /nfs/dbraw/zinc/75/29/67/455752967.db2.gz BDERIGDLMQVTPC-UHFFFAOYSA-N 2 0 329.669 3.454 20 0 EGADRP COc1ccncc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292779721 455755005 /nfs/dbraw/zinc/75/50/05/455755005.db2.gz TZMVWJOVBYLCJG-APWZRJJASA-N 2 0 325.456 3.233 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000186376548 455755462 /nfs/dbraw/zinc/75/54/62/455755462.db2.gz JYTGSWILJIJQIT-KPFFTGBYSA-N 2 0 334.504 3.481 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249973069 455784130 /nfs/dbraw/zinc/78/41/30/455784130.db2.gz KOSFVPRLLNQKKB-JRSUCEMESA-N 2 0 328.500 3.038 20 0 EGADRP COc1ccsc1CNc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000269123518 455794128 /nfs/dbraw/zinc/79/41/28/455794128.db2.gz GKMSMPZUFLWOHL-UHFFFAOYSA-N 2 0 346.500 3.294 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)oc21 ZINC000186580430 455798191 /nfs/dbraw/zinc/79/81/91/455798191.db2.gz NRTDTSYPEPBAAO-CVEARBPZSA-N 2 0 345.487 3.118 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000186981771 455859241 /nfs/dbraw/zinc/85/92/41/455859241.db2.gz DWVCSESUBKHNPX-LEWJYISDSA-N 2 0 331.548 3.115 20 0 EGADRP C[C@]1(C[NH3+])CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000261650470 455921322 /nfs/dbraw/zinc/92/13/22/455921322.db2.gz DDTHOYQIPSWPOG-MRXNPFEDSA-N 2 0 334.261 3.168 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000261674771 455926405 /nfs/dbraw/zinc/92/64/05/455926405.db2.gz GKCNQSYGJUHRSN-BRWVUGGUSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1)C(C)C ZINC000285951727 455948480 /nfs/dbraw/zinc/94/84/80/455948480.db2.gz GJSYPWHZNRRDOU-IBGZPJMESA-N 2 0 331.504 3.260 20 0 EGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)C1CCOCC1 ZINC000187767291 455950341 /nfs/dbraw/zinc/95/03/41/455950341.db2.gz WPZVVOJEGRUKDL-FQEVSTJZSA-N 2 0 334.504 3.058 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261815453 455953814 /nfs/dbraw/zinc/95/38/14/455953814.db2.gz NRRPARNDSYUPLK-APWZRJJASA-N 2 0 331.504 3.118 20 0 EGADRP COc1nccc(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000296503373 455957490 /nfs/dbraw/zinc/95/74/90/455957490.db2.gz RDIWZFRLPUNWLL-INIZCTEOSA-N 2 0 340.471 3.007 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261858232 455960679 /nfs/dbraw/zinc/96/06/79/455960679.db2.gz FOMYEEDXNNCKNJ-NWDGAFQWSA-N 2 0 344.286 3.381 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465922 455961250 /nfs/dbraw/zinc/96/12/50/455961250.db2.gz YBFOLVWIZNOLET-CSMYWGQOSA-N 2 0 343.298 3.443 20 0 EGADRP Clc1ccc(O[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000261914732 455970274 /nfs/dbraw/zinc/97/02/74/455970274.db2.gz JTNBOHYETIZIHL-TZMCWYRMSA-N 2 0 329.271 3.446 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CC[C@H]2CC[NH2+]C2)CCCC1)c1ccccc1 ZINC000261917010 455971583 /nfs/dbraw/zinc/97/15/83/455971583.db2.gz XDQCASGWNAQGOE-ROUUACIJSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262096605 455996881 /nfs/dbraw/zinc/99/68/81/455996881.db2.gz IBAAEBSQDWYCRQ-OAQYLSRUSA-N 2 0 335.495 3.142 20 0 EGADRP Cc1ccnc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000286202748 456000165 /nfs/dbraw/zinc/00/01/65/456000165.db2.gz RSYHSUPQGKPXBL-KRWDZBQOSA-N 2 0 339.483 3.198 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)cc1 ZINC000262143004 456003459 /nfs/dbraw/zinc/00/34/59/456003459.db2.gz XZJQEOGOAHSYCY-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000262148061 456004647 /nfs/dbraw/zinc/00/46/47/456004647.db2.gz FQKVPETYXSZBJT-WOJBJXKFSA-N 2 0 339.483 3.194 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000262240659 456015628 /nfs/dbraw/zinc/01/56/28/456015628.db2.gz QHTCVAGJRMDFKQ-ZMSDIMECSA-N 2 0 337.533 3.011 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272653798 456026979 /nfs/dbraw/zinc/02/69/79/456026979.db2.gz GHUYVYPEYQIHCD-NJDAHSKKSA-N 2 0 338.499 3.082 20 0 EGADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000286358585 456032441 /nfs/dbraw/zinc/03/24/41/456032441.db2.gz ZBOBJEAHNQPOGO-ZSYZGHEHSA-N 2 0 340.511 3.204 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)[C@H](C)C2 ZINC000272675170 456034530 /nfs/dbraw/zinc/03/45/30/456034530.db2.gz UKPDNKREWPMENO-NMSZZDKCSA-N 2 0 328.500 3.196 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000272674275 456035272 /nfs/dbraw/zinc/03/52/72/456035272.db2.gz LRVCMUUCOFSPLD-UHFFFAOYSA-N 2 0 343.437 3.255 20 0 EGADRP CCOc1c(OC)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000222089926 456045180 /nfs/dbraw/zinc/04/51/80/456045180.db2.gz MHXGFRYENPQOEG-DLBZAZTESA-N 2 0 348.487 3.019 20 0 EGADRP C[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000296856229 456054228 /nfs/dbraw/zinc/05/42/28/456054228.db2.gz OWYCQMMZVNRTBU-CABCVRRESA-N 2 0 326.431 3.159 20 0 EGADRP C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1Cl ZINC000272772245 456066403 /nfs/dbraw/zinc/06/64/03/456066403.db2.gz SWUUYZMQJIBRJC-WMLDXEAASA-N 2 0 345.874 3.152 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)CC1 ZINC000270938415 456071347 /nfs/dbraw/zinc/07/13/47/456071347.db2.gz RCJXNESHWKBBEB-LJQANCHMSA-N 2 0 329.532 3.281 20 0 EGADRP NC(=O)C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000332548395 456088980 /nfs/dbraw/zinc/08/89/80/456088980.db2.gz OFZZZACDHIVCIY-GOSISDBHSA-N 2 0 337.508 3.094 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263219958 456111264 /nfs/dbraw/zinc/11/12/64/456111264.db2.gz LSGJIHYSBLLATI-SLYNCCJLSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@H]1CCC[NH2+]C1 ZINC000263265874 456117933 /nfs/dbraw/zinc/11/79/33/456117933.db2.gz NODCHSRCACGPEV-WTGUMLROSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)(C)O ZINC000271168909 456152624 /nfs/dbraw/zinc/15/26/24/456152624.db2.gz PEVZCAFITJERHL-UHFFFAOYSA-N 2 0 347.547 3.200 20 0 EGADRP CC(C)C1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000236588792 456157338 /nfs/dbraw/zinc/15/73/38/456157338.db2.gz SQNCHGQAHKZVCR-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP c1n[nH]cc1CC[NH2+][C@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000289866376 456160942 /nfs/dbraw/zinc/16/09/42/456160942.db2.gz RGCTYYXZSQJPLB-ACRUOGEOSA-N 2 0 338.499 3.233 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+]CC2=CCCOC2)cc1 ZINC000273077505 456170123 /nfs/dbraw/zinc/17/01/23/456170123.db2.gz PYOGJJLCFFKZFW-QHAWAJNXSA-N 2 0 326.484 3.223 20 0 EGADRP C[C@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000236788154 456183912 /nfs/dbraw/zinc/18/39/12/456183912.db2.gz MXUSKYRMYVGWSY-CAOKTKFFSA-N 2 0 343.515 3.045 20 0 EGADRP C[C@@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000236788675 456184174 /nfs/dbraw/zinc/18/41/74/456184174.db2.gz MXUSKYRMYVGWSY-LNXHZJMOSA-N 2 0 343.515 3.045 20 0 EGADRP Cc1nc(C)c(C)c(N2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000301701035 456190988 /nfs/dbraw/zinc/19/09/88/456190988.db2.gz FTNSFPLBGBAIMH-UHFFFAOYSA-N 2 0 330.863 3.377 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000289949664 456192805 /nfs/dbraw/zinc/19/28/05/456192805.db2.gz MCFIDQVKJPJVHN-AHRSYUTCSA-N 2 0 343.515 3.065 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236906979 456198974 /nfs/dbraw/zinc/19/89/74/456198974.db2.gz DXKKATBFKGLLIA-HXUWFJFHSA-N 2 0 339.483 3.235 20 0 EGADRP COCCOCc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000290083543 456236290 /nfs/dbraw/zinc/23/62/90/456236290.db2.gz JAYMTOHUWMCRPT-UHFFFAOYSA-N 2 0 334.504 3.061 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000237152657 456238514 /nfs/dbraw/zinc/23/85/14/456238514.db2.gz FRVOXWCNWHAOGG-HXUWFJFHSA-N 2 0 343.515 3.209 20 0 EGADRP c1ccc(C[C@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000189221784 456257214 /nfs/dbraw/zinc/25/72/14/456257214.db2.gz HMLBUPLXGQJSFK-URVUXULASA-N 2 0 342.527 3.488 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H]1SC ZINC000297596719 456259430 /nfs/dbraw/zinc/25/94/30/456259430.db2.gz JRWWUCZTADVPGO-OTWHNJEPSA-N 2 0 334.529 3.281 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000302100950 456288057 /nfs/dbraw/zinc/28/80/57/456288057.db2.gz LVORXVACANBXBF-SJORKVTESA-N 2 0 341.540 3.103 20 0 EGADRP COC(=O)c1cc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)oc1C ZINC000352795756 456316283 /nfs/dbraw/zinc/31/62/83/456316283.db2.gz FFDQKZOYTYURME-QGZVFWFLSA-N 2 0 348.487 3.319 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000347747341 456346483 /nfs/dbraw/zinc/34/64/83/456346483.db2.gz YTCRLORBLGOMBI-QUCCMNQESA-N 2 0 345.531 3.230 20 0 EGADRP CCN1CCCC[C@@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939542 456354048 /nfs/dbraw/zinc/35/40/48/456354048.db2.gz YROYKDYFBLYNCV-UXHICEINSA-N 2 0 341.503 3.182 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000275943624 456355734 /nfs/dbraw/zinc/35/57/34/456355734.db2.gz ZLEZJDVUILJZMB-LRSLUSHPSA-N 2 0 342.527 3.464 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000282069649 456404624 /nfs/dbraw/zinc/40/46/24/456404624.db2.gz WPIMANJBXSKDNS-KRWDZBQOSA-N 2 0 349.478 3.365 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNC1CC[NH+](C)CC1 ZINC000343110756 456411932 /nfs/dbraw/zinc/41/19/32/456411932.db2.gz STSHTHGOWVBMMF-UHFFFAOYSA-N 2 0 346.906 3.385 20 0 EGADRP CC(C)[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000298391250 456442615 /nfs/dbraw/zinc/44/26/15/456442615.db2.gz JMCSYHBYNCBGFY-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000276398325 456468989 /nfs/dbraw/zinc/46/89/89/456468989.db2.gz GCSROISHEKVDHA-UHFFFAOYSA-N 2 0 348.535 3.012 20 0 EGADRP Cc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000298589711 456496321 /nfs/dbraw/zinc/49/63/21/456496321.db2.gz YINUUDMZBHDVHX-OAQYLSRUSA-N 2 0 327.516 3.348 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000298596332 456498565 /nfs/dbraw/zinc/49/85/65/456498565.db2.gz YTVSOTJYFMQHNZ-RTBURBONSA-N 2 0 345.531 3.122 20 0 EGADRP CCc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000343271526 456499257 /nfs/dbraw/zinc/49/92/57/456499257.db2.gz RIMKLIJGNILFTH-OAQYLSRUSA-N 2 0 341.499 3.310 20 0 EGADRP CC(C)(C[NH2+]Cc1ccc(Oc2cnccn2)cc1)C[NH+]1CCCC1 ZINC000276615008 456531394 /nfs/dbraw/zinc/53/13/94/456531394.db2.gz GMJLCZAQKDRJGR-UHFFFAOYSA-N 2 0 340.471 3.481 20 0 EGADRP CSC1(C[NH2+]Cc2cnc(C)n2-c2ccccc2)CC[NH+](C)CC1 ZINC000353233347 456576130 /nfs/dbraw/zinc/57/61/30/456576130.db2.gz XDJXXNDIYWNUAC-UHFFFAOYSA-N 2 0 344.528 3.098 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000353265710 456598222 /nfs/dbraw/zinc/59/82/22/456598222.db2.gz ANNSNAFWUJWHLO-UZLBHIALSA-N 2 0 345.531 3.033 20 0 EGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000353270661 456600844 /nfs/dbraw/zinc/60/08/44/456600844.db2.gz BLTRBRXLRNROGH-HXUWFJFHSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000353280686 456607054 /nfs/dbraw/zinc/60/70/54/456607054.db2.gz WOXULZGNHUEJES-CABCVRRESA-N 2 0 330.463 3.291 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(-c2cnn(C)c2)c1 ZINC000282773940 456620676 /nfs/dbraw/zinc/62/06/76/456620676.db2.gz XDHSTZYZMDNGPL-QGZVFWFLSA-N 2 0 326.488 3.217 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000320718984 456631715 /nfs/dbraw/zinc/63/17/15/456631715.db2.gz VKXYKYLBBFPSDH-ZIFCJYIRSA-N 2 0 346.515 3.464 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353314568 456631956 /nfs/dbraw/zinc/63/19/56/456631956.db2.gz MYJCBGUHMHIITI-LPHOPBHVSA-N 2 0 334.504 3.364 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000282806475 456631937 /nfs/dbraw/zinc/63/19/37/456631937.db2.gz XLRIMLKIDOKFCO-HXUWFJFHSA-N 2 0 346.515 3.456 20 0 EGADRP CCn1ccnc1[C@@H]1CCCCN1Cc1ncc(CN(C)C)s1 ZINC000348355140 456644236 /nfs/dbraw/zinc/64/42/36/456644236.db2.gz KSIHSZJUKWQBBI-HNNXBMFYSA-N 2 0 333.505 3.148 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853746 456646004 /nfs/dbraw/zinc/64/60/04/456646004.db2.gz TVKCZIINEGPQMD-GHTZIAJQSA-N 2 0 338.499 3.312 20 0 EGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000338000350 456647415 /nfs/dbraw/zinc/64/74/15/456647415.db2.gz QOLWLVPNGONYIJ-HZPDHXFCSA-N 2 0 340.458 3.112 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660613 /nfs/dbraw/zinc/66/06/13/456660613.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 2 0 329.532 3.348 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C(C)(C)n1cncn1 ZINC000353407504 456680333 /nfs/dbraw/zinc/68/03/33/456680333.db2.gz BRJZCVXEPKKBBP-FUHWJXTLSA-N 2 0 333.524 3.036 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC000338181821 456688466 /nfs/dbraw/zinc/68/84/66/456688466.db2.gz DHSQRUVBOWQYTO-SJORKVTESA-N 2 0 331.504 3.083 20 0 EGADRP [NH3+][C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000353434621 456697513 /nfs/dbraw/zinc/69/75/13/456697513.db2.gz CKMJGHVQARLSRS-FQEVSTJZSA-N 2 0 337.467 3.354 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1-n1ccnn1 ZINC000353451752 456698820 /nfs/dbraw/zinc/69/88/20/456698820.db2.gz XUZCVYYFVFCUIE-SJORKVTESA-N 2 0 327.476 3.182 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000343559455 456705460 /nfs/dbraw/zinc/70/54/60/456705460.db2.gz DKEVYTZPWNFDCD-KRWDZBQOSA-N 2 0 331.504 3.017 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000343559409 456705688 /nfs/dbraw/zinc/70/56/88/456705688.db2.gz DCCXOFZVRGGJBC-XLIONFOSSA-N 2 0 330.472 3.373 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000277216110 456727643 /nfs/dbraw/zinc/72/76/43/456727643.db2.gz NQMHCXDLVMQQTO-INIZCTEOSA-N 2 0 348.878 3.349 20 0 EGADRP Cc1ccoc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000291719875 456732997 /nfs/dbraw/zinc/73/29/97/456732997.db2.gz MIVLGTMYRWXJIU-UHFFFAOYSA-N 2 0 327.472 3.408 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccccc1-n1ccnn1)C(C)C ZINC000353525319 456737129 /nfs/dbraw/zinc/73/71/29/456737129.db2.gz YEGYKHMGQWPDHX-QGZVFWFLSA-N 2 0 329.492 3.427 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353548999 456751456 /nfs/dbraw/zinc/75/14/56/456751456.db2.gz CZEIQWFVSDFZBQ-NHCUHLMSSA-N 2 0 346.490 3.444 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277269689 456753871 /nfs/dbraw/zinc/75/38/71/456753871.db2.gz MGPJLZZCMOVEKC-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329137 456779911 /nfs/dbraw/zinc/77/99/11/456779911.db2.gz VLSDUUODHUVGDU-RLLQIKCJSA-N 2 0 345.531 3.449 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)CC(F)F)CC1 ZINC000353585978 456783853 /nfs/dbraw/zinc/78/38/53/456783853.db2.gz BDBJAYWMXNTVNN-AQFXKWCLSA-N 2 0 326.431 3.035 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CCC2 ZINC000353623219 456811375 /nfs/dbraw/zinc/81/13/75/456811375.db2.gz ATQJLLJAUMHWCV-GOSISDBHSA-N 2 0 334.529 3.490 20 0 EGADRP Cc1cc(N2CCCN(Cc3cscn3)CC2)nc(C(C)C)n1 ZINC000301168740 456811690 /nfs/dbraw/zinc/81/16/90/456811690.db2.gz WDHRPPBSIGCAOW-UHFFFAOYSA-N 2 0 331.489 3.077 20 0 EGADRP Cc1cnc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000341258536 456827501 /nfs/dbraw/zinc/82/75/01/456827501.db2.gz LQHHFPJKBCYBNC-LPHOPBHVSA-N 2 0 326.488 3.119 20 0 EGADRP CSC1(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC[NH+](C)CC1 ZINC000353661708 456839116 /nfs/dbraw/zinc/83/91/16/456839116.db2.gz QCDQINFRPMIYLD-CQSZACIVSA-N 2 0 329.513 3.052 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000338686112 456852209 /nfs/dbraw/zinc/85/22/09/456852209.db2.gz DGPPTMZOSYJNID-FIYPYCPBSA-N 2 0 342.483 3.385 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000344777356 456858194 /nfs/dbraw/zinc/85/81/94/456858194.db2.gz UNOSJSWHQNCKCZ-WCAVRKLYSA-N 2 0 336.545 3.414 20 0 EGADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341513984 456872757 /nfs/dbraw/zinc/87/27/57/456872757.db2.gz UYUVXSRZXSFFAB-XLIONFOSSA-N 2 0 331.504 3.231 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751837 456889853 /nfs/dbraw/zinc/88/98/53/456889853.db2.gz KNDMXBZOGWMISN-IUODEOHRSA-N 2 0 326.282 3.149 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000349187496 456906695 /nfs/dbraw/zinc/90/66/95/456906695.db2.gz KCNWXVUJNVXQFD-QGZVFWFLSA-N 2 0 332.488 3.176 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)CC1 ZINC000349194238 456909660 /nfs/dbraw/zinc/90/96/60/456909660.db2.gz RRKHTGPNOAIDPI-RDJZCZTQSA-N 2 0 335.517 3.158 20 0 EGADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CCOCC[NH+](C)C ZINC000349242619 456920844 /nfs/dbraw/zinc/92/08/44/456920844.db2.gz NWNSMYADYOONRG-UHFFFAOYSA-N 2 0 328.456 3.030 20 0 EGADRP C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000353880641 456948199 /nfs/dbraw/zinc/94/81/99/456948199.db2.gz JTQKPATVJXYXRJ-BEFAXECRSA-N 2 0 342.487 3.162 20 0 EGADRP CC[NH+]1CCC(NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000341817149 456956710 /nfs/dbraw/zinc/95/67/10/456956710.db2.gz UGVYSCZOJJSFFC-NRFANRHFSA-N 2 0 329.532 3.143 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc(O)cc2)CC1 ZINC000349411085 456964090 /nfs/dbraw/zinc/96/40/90/456964090.db2.gz WOCVDSUNTZKCJX-UHFFFAOYSA-N 2 0 339.483 3.166 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166393 456973141 /nfs/dbraw/zinc/97/31/41/456973141.db2.gz OPUNVHFFHFIELS-GDBMZVCRSA-N 2 0 338.293 3.465 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353960166 456980388 /nfs/dbraw/zinc/98/03/88/456980388.db2.gz UORRXGMUHXICGW-HUUCEWRRSA-N 2 0 336.442 3.446 20 0 EGADRP Cc1cc(Cl)cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000339190847 456985138 /nfs/dbraw/zinc/98/51/38/456985138.db2.gz VNMIQKSCNKWFJP-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362701179 457052497 /nfs/dbraw/zinc/05/24/97/457052497.db2.gz FJMDXPYIQZADMO-PWIZWCRZSA-N 2 0 333.495 3.235 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000354099205 457061542 /nfs/dbraw/zinc/06/15/42/457061542.db2.gz BXZGREXTQJTHGY-KRWDZBQOSA-N 2 0 342.430 3.221 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC000356698622 457122975 /nfs/dbraw/zinc/12/29/75/457122975.db2.gz OHUCVVUESNZKIU-FQEVSTJZSA-N 2 0 346.515 3.216 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000354205484 457129838 /nfs/dbraw/zinc/12/98/38/457129838.db2.gz HASABEFGFXOXLV-BHIYHBOVSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000356761519 457155908 /nfs/dbraw/zinc/15/59/08/457155908.db2.gz ABQVSGFCBOLPHV-INIZCTEOSA-N 2 0 329.488 3.196 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000346842269 457182659 /nfs/dbraw/zinc/18/26/59/457182659.db2.gz IAAJDCMGTLCEBY-OAHLLOKOSA-N 2 0 330.451 3.080 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000347158798 457261782 /nfs/dbraw/zinc/26/17/82/457261782.db2.gz FKFYIHAXRKHCFJ-UHFFFAOYSA-N 2 0 330.394 3.449 20 0 EGADRP c1coc([C@H]2CC[NH+](CCOCC[N@@H+]3CC[C@H](c4ccco4)C3)C2)c1 ZINC000363314416 457289793 /nfs/dbraw/zinc/28/97/93/457289793.db2.gz XEQGCIKVNFAPOJ-ROUUACIJSA-N 2 0 344.455 3.168 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000357050483 457298681 /nfs/dbraw/zinc/29/86/81/457298681.db2.gz AHHBCALDMKAUIH-SFHVURJKSA-N 2 0 345.531 3.010 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2CN(CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@@H]12 ZINC000351489402 457301116 /nfs/dbraw/zinc/30/11/16/457301116.db2.gz HAFQDKMVHJOVJB-PWIZWCRZSA-N 2 0 347.547 3.150 20 0 EGADRP c1cn2c(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c(C3CC3)nc2s1 ZINC000357060294 457304286 /nfs/dbraw/zinc/30/42/86/457304286.db2.gz XYMAKFNESPQRGO-HNNXBMFYSA-N 2 0 330.501 3.095 20 0 EGADRP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)CCOCC[NH3+])cc1 ZINC000357086061 457313958 /nfs/dbraw/zinc/31/39/58/457313958.db2.gz RIQMIWPOVSJKKE-MRXNPFEDSA-N 2 0 328.456 3.330 20 0 EGADRP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357088321 457316012 /nfs/dbraw/zinc/31/60/12/457316012.db2.gz RPWCTYWTMPZFES-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357109122 457326997 /nfs/dbraw/zinc/32/69/97/457326997.db2.gz HGAUCJIBJSXYPO-FGTMMUONSA-N 2 0 345.531 3.406 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000340114887 457337004 /nfs/dbraw/zinc/33/70/04/457337004.db2.gz CAGGFQAWLMXWMX-VQTJNVASSA-N 2 0 345.531 3.442 20 0 EGADRP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000347383304 457392208 /nfs/dbraw/zinc/39/22/08/457392208.db2.gz VTRDNHXKTMWLMS-FQEVSTJZSA-N 2 0 345.531 3.276 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382693685 457423564 /nfs/dbraw/zinc/42/35/64/457423564.db2.gz IWTOBYAQWVBNBL-ICSRJNTNSA-N 2 0 345.531 3.121 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000352512371 457428553 /nfs/dbraw/zinc/42/85/53/457428553.db2.gz XDDHOIWFLBWXDW-OAHLLOKOSA-N 2 0 334.851 3.136 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000390591089 457439819 /nfs/dbraw/zinc/43/98/19/457439819.db2.gz PGPNDNKTDAVXSJ-GFOJFJKKSA-N 2 0 329.532 3.407 20 0 EGADRP C[C@@H](CCSc1ccccc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363754530 457443851 /nfs/dbraw/zinc/44/38/51/457443851.db2.gz VTZNBBHURMPMHP-OALUTQOASA-N 2 0 347.572 3.269 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000360942270 457449720 /nfs/dbraw/zinc/44/97/20/457449720.db2.gz OHPWRODIVZMVMD-QGZVFWFLSA-N 2 0 342.462 3.084 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000352541043 457451135 /nfs/dbraw/zinc/45/11/35/457451135.db2.gz SVNJLPHJUJGMIG-IBGZPJMESA-N 2 0 325.456 3.364 20 0 EGADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000392294477 457459153 /nfs/dbraw/zinc/45/91/53/457459153.db2.gz PRQGFJQMXGJPCR-DOTOQJQBSA-N 2 0 337.508 3.016 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC000356144203 457483386 /nfs/dbraw/zinc/48/33/86/457483386.db2.gz YMTPSWKREBSTCT-CQSZACIVSA-N 2 0 328.547 3.403 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)C[NH2+]C2 ZINC000347524598 457484980 /nfs/dbraw/zinc/48/49/80/457484980.db2.gz KTKCQSAYOVXAMW-OAQYLSRUSA-N 2 0 349.478 3.074 20 0 EGADRP COC(=O)c1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)s1 ZINC000374171115 457508036 /nfs/dbraw/zinc/50/80/36/457508036.db2.gz IGDZRTDDLPAPLX-UHFFFAOYSA-N 2 0 336.501 3.151 20 0 EGADRP Cc1ccccc1NC(=O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179047 457512027 /nfs/dbraw/zinc/51/20/27/457512027.db2.gz ZZNQKTULRZYXJW-UHFFFAOYSA-N 2 0 329.488 3.131 20 0 EGADRP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401010087 457522353 /nfs/dbraw/zinc/52/23/53/457522353.db2.gz RFBMAAWGIZQDSN-XRXFAXGQSA-N 2 0 327.516 3.019 20 0 EGADRP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000401067311 457522481 /nfs/dbraw/zinc/52/24/81/457522481.db2.gz JACMRMPCWYSELX-VAMGGRTRSA-N 2 0 327.516 3.019 20 0 EGADRP COc1ccc([C@@H](C[NH+](C)C)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000342789734 457530076 /nfs/dbraw/zinc/53/00/76/457530076.db2.gz MFLTXWFANXMMKU-LJQANCHMSA-N 2 0 333.520 3.150 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000374241683 457540996 /nfs/dbraw/zinc/54/09/96/457540996.db2.gz OSLDZFYVKWJMHB-OALUTQOASA-N 2 0 344.547 3.032 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000374271678 457558750 /nfs/dbraw/zinc/55/87/50/457558750.db2.gz UOAKPMSTAYLOAO-TZIWHRDSSA-N 2 0 346.515 3.072 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000374271673 457558995 /nfs/dbraw/zinc/55/89/95/457558995.db2.gz UOAKPMSTAYLOAO-CTNGQTDRSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352739632 457573031 /nfs/dbraw/zinc/57/30/31/457573031.db2.gz PNJKPDQNBLIWQI-MRXNPFEDSA-N 2 0 325.456 3.224 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425904217 457649825 /nfs/dbraw/zinc/64/98/25/457649825.db2.gz XKSJAMQRQSKXJS-HKUYNNGSSA-N 2 0 348.535 3.132 20 0 EGADRP Cc1cc(F)ccc1CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425918189 457651036 /nfs/dbraw/zinc/65/10/36/457651036.db2.gz DNRQHVJUYAGUMH-NRFANRHFSA-N 2 0 342.458 3.203 20 0 EGADRP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000361232261 457658918 /nfs/dbraw/zinc/65/89/18/457658918.db2.gz XWJFZFRNAUQUAY-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2sc(C)nc2C)[C@@H](C)C1 ZINC000361307543 457687766 /nfs/dbraw/zinc/68/77/66/457687766.db2.gz BCHDKKBFWXNJCE-YOEHRIQHSA-N 2 0 339.549 3.029 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cncs1 ZINC000361340389 457698621 /nfs/dbraw/zinc/69/86/21/457698621.db2.gz DBYHYRZJEHYINW-OAHLLOKOSA-N 2 0 331.485 3.469 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370704663 457703854 /nfs/dbraw/zinc/70/38/54/457703854.db2.gz ALMKGNYSZBYPQO-QGZVFWFLSA-N 2 0 329.488 3.130 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000357889337 457724631 /nfs/dbraw/zinc/72/46/31/457724631.db2.gz ZMJAYHHGQXAVGJ-DZGCQCFKSA-N 2 0 345.409 3.189 20 0 EGADRP CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912518 457732149 /nfs/dbraw/zinc/73/21/49/457732149.db2.gz XSZACTNBURYAHA-YJBOKZPZSA-N 2 0 349.906 3.109 20 0 EGADRP CC(C)c1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433122140 457761344 /nfs/dbraw/zinc/76/13/44/457761344.db2.gz PNPHVSFUWZBJFW-INIZCTEOSA-N 2 0 331.504 3.191 20 0 EGADRP CC(C)(C)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433119677 457761485 /nfs/dbraw/zinc/76/14/85/457761485.db2.gz HEXAOADPTQCKLH-LJQANCHMSA-N 2 0 331.504 3.093 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CC2(OC)CCCC2)CC1 ZINC000361546263 457787144 /nfs/dbraw/zinc/78/71/44/457787144.db2.gz AXNSKYVGUMEXNA-UHFFFAOYSA-N 2 0 326.525 3.016 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000457694713 457796532 /nfs/dbraw/zinc/79/65/32/457796532.db2.gz IYQIFTZSNCFJFI-UHFFFAOYSA-N 2 0 340.556 3.061 20 0 EGADRP CC(C)CN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000433344894 457816492 /nfs/dbraw/zinc/81/64/92/457816492.db2.gz URRUFRAGSKBTGL-HXUWFJFHSA-N 2 0 345.531 3.258 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358177306 457837950 /nfs/dbraw/zinc/83/79/50/457837950.db2.gz PAXQSAMHDKZCGG-YWZLYKJASA-N 2 0 346.446 3.150 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)C2)CC1 ZINC000371333654 457871534 /nfs/dbraw/zinc/87/15/34/457871534.db2.gz FBCDZAWOFYAZLS-ZHALLVOQSA-N 2 0 331.504 3.003 20 0 EGADRP CCC(CC)[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000411444376 457890686 /nfs/dbraw/zinc/89/06/86/457890686.db2.gz DQAXNAVBRQFSSX-NRFANRHFSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000358307187 457922895 /nfs/dbraw/zinc/92/28/95/457922895.db2.gz UVDLSOJKRBOJPA-WNISUXOKSA-N 2 0 332.463 3.026 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000371437355 457930502 /nfs/dbraw/zinc/93/05/02/457930502.db2.gz DGRRRAPBPAFTHG-BZSNNMDCSA-N 2 0 329.488 3.237 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332375 457937929 /nfs/dbraw/zinc/93/79/29/457937929.db2.gz VZSTWZWPJGUYEG-XJKSGUPXSA-N 2 0 330.394 3.195 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000361894149 457938603 /nfs/dbraw/zinc/93/86/03/457938603.db2.gz UFUMXPSKTODGEA-CQSZACIVSA-N 2 0 329.271 3.027 20 0 EGADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358346698 457947926 /nfs/dbraw/zinc/94/79/26/457947926.db2.gz BVDOPUNJQVKXOZ-UXHICEINSA-N 2 0 344.499 3.099 20 0 EGADRP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000458211109 457970566 /nfs/dbraw/zinc/97/05/66/457970566.db2.gz MIPHUVUYHWLCMB-KRWDZBQOSA-N 2 0 347.503 3.138 20 0 EGADRP C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361971947 457985574 /nfs/dbraw/zinc/98/55/74/457985574.db2.gz OIKUCNIKHADLEU-IRXDYDNUSA-N 2 0 327.472 3.304 20 0 EGADRP CN(Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644108 458028331 /nfs/dbraw/zinc/02/83/31/458028331.db2.gz TVTGUNAADMBYKL-FQEVSTJZSA-N 2 0 349.482 3.444 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000358616945 458110998 /nfs/dbraw/zinc/11/09/98/458110998.db2.gz QNEDXKREILKFDY-FQEVSTJZSA-N 2 0 345.531 3.265 20 0 EGADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435368768 458120095 /nfs/dbraw/zinc/12/00/95/458120095.db2.gz IZJHFIULTVKFKK-AWEZNQCLSA-N 2 0 338.377 3.062 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435371399 458122875 /nfs/dbraw/zinc/12/28/75/458122875.db2.gz MRIIVZCCEUNAEG-YJBOKZPZSA-N 2 0 325.456 3.316 20 0 EGADRP CC[C@@H]1C[C@H](C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000435371341 458123150 /nfs/dbraw/zinc/12/31/50/458123150.db2.gz MDNMSAVWPARXRE-YZGWKJHDSA-N 2 0 331.504 3.231 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435373548 458125364 /nfs/dbraw/zinc/12/53/64/458125364.db2.gz VDKGJKKQLKHELR-AEFFLSMTSA-N 2 0 347.466 3.103 20 0 EGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435377142 458125829 /nfs/dbraw/zinc/12/58/29/458125829.db2.gz YJTFVKZOHZZINK-WMZOPIPTSA-N 2 0 347.466 3.103 20 0 EGADRP C[NH2+]C[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435390136 458134838 /nfs/dbraw/zinc/13/48/38/458134838.db2.gz OEWJMNMVVOIXPR-FQEVSTJZSA-N 2 0 347.466 3.118 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C[C@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000372131189 458203927 /nfs/dbraw/zinc/20/39/27/458203927.db2.gz DMXNWXQGWSEKJV-FGTMMUONSA-N 2 0 332.488 3.032 20 0 EGADRP CCCc1nc(C)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000428967459 458242764 /nfs/dbraw/zinc/24/27/64/458242764.db2.gz MUPHKCYTVLLNPU-KDURUIRLSA-N 2 0 339.483 3.499 20 0 EGADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429141389 458281121 /nfs/dbraw/zinc/28/11/21/458281121.db2.gz KYBVERGLZAQSSG-FQEVSTJZSA-N 2 0 339.483 3.032 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436308668 458286712 /nfs/dbraw/zinc/28/67/12/458286712.db2.gz MWROVERAYYOKNL-VQTJNVASSA-N 2 0 345.462 3.165 20 0 EGADRP COC(=O)c1coc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000447546741 458309405 /nfs/dbraw/zinc/30/94/05/458309405.db2.gz YMDFJGQKAHTEMR-JYJNAYRXSA-N 2 0 336.476 3.475 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCCCC1 ZINC000372712947 458324962 /nfs/dbraw/zinc/32/49/62/458324962.db2.gz DTIXFIJZHGKMGF-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459383083 458352289 /nfs/dbraw/zinc/35/22/89/458352289.db2.gz FBVDYHRULUBBQR-CABCVRRESA-N 2 0 330.501 3.298 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC2CC[NH+](C3CC3)CC2)CC1 ZINC000459413105 458363427 /nfs/dbraw/zinc/36/34/27/458363427.db2.gz NZGSPNVFKOOHRG-QGZVFWFLSA-N 2 0 327.516 3.428 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000430042905 458393584 /nfs/dbraw/zinc/39/35/84/458393584.db2.gz RLFVWLDEQSRCOP-INIZCTEOSA-N 2 0 337.458 3.354 20 0 EGADRP C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423427314 458431018 /nfs/dbraw/zinc/43/10/18/458431018.db2.gz NTCCBHFXIHWZLD-QTGUNEKASA-N 2 0 349.522 3.374 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C3)cc1 ZINC000423452910 458435545 /nfs/dbraw/zinc/43/55/45/458435545.db2.gz ZNANNHGJYUHPNJ-BIRZXAFVSA-N 3 0 339.527 3.160 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCO1 ZINC000423539047 458455362 /nfs/dbraw/zinc/45/53/62/458455362.db2.gz ASDKDTVFMOOQRE-RISVGRPXSA-N 2 0 348.918 3.408 20 0 EGADRP C[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000423536259 458455450 /nfs/dbraw/zinc/45/54/50/458455450.db2.gz ZEOSPZHCSFITBE-MBDNFAEBSA-N 2 0 335.495 3.167 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C3)cc1 ZINC000377077290 458456156 /nfs/dbraw/zinc/45/61/56/458456156.db2.gz KEBQJGCZIHNARG-XNTOXWQXSA-N 2 0 326.484 3.339 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423546584 458456447 /nfs/dbraw/zinc/45/64/47/458456447.db2.gz ZDEDSJDUCHIRKO-VSKRKVRLSA-N 3 0 339.527 3.329 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[NH2+]C1CC1 ZINC000423558519 458457020 /nfs/dbraw/zinc/45/70/20/458457020.db2.gz NVCWEQXUFVYVND-NSHDSACASA-N 2 0 329.257 3.251 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423553842 458457200 /nfs/dbraw/zinc/45/72/00/458457200.db2.gz WDFYEPBJFPBGAA-BRSBDYLESA-N 2 0 332.488 3.003 20 0 EGADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423608504 458462409 /nfs/dbraw/zinc/46/24/09/458462409.db2.gz JXAPLUDSLJVDOK-QRWLVFNGSA-N 2 0 337.467 3.055 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430570408 458464156 /nfs/dbraw/zinc/46/41/56/458464156.db2.gz GSRUYWTVIXOBFU-QFBILLFUSA-N 2 0 337.467 3.498 20 0 EGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000430583731 458466167 /nfs/dbraw/zinc/46/61/67/458466167.db2.gz NCWUNSCGWLRBFO-HXUWFJFHSA-N 2 0 327.472 3.466 20 0 EGADRP C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620596 458471877 /nfs/dbraw/zinc/47/18/77/458471877.db2.gz CCMJHUZVXOTINY-HZPDHXFCSA-N 2 0 325.456 3.098 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000373371310 458473646 /nfs/dbraw/zinc/47/36/46/458473646.db2.gz YJTBHHCAFNWWDM-SCTDSRPQSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)(C)C[C@@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000430638130 458474827 /nfs/dbraw/zinc/47/48/27/458474827.db2.gz MQGZKYGARYIBBA-GOSISDBHSA-N 2 0 349.494 3.090 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459774560 458475428 /nfs/dbraw/zinc/47/54/28/458475428.db2.gz JFMCOSQRLVEBRT-SESVDKBCSA-N 3 0 329.532 3.219 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430651771 458475553 /nfs/dbraw/zinc/47/55/53/458475553.db2.gz MCTVVNOHLLHDKM-CQSZACIVSA-N 2 0 330.394 3.406 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000459794405 458481422 /nfs/dbraw/zinc/48/14/22/458481422.db2.gz UPNIEDPUGJAKLE-HLAWJBBLSA-N 2 0 329.532 3.219 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000373434074 458492401 /nfs/dbraw/zinc/49/24/01/458492401.db2.gz BOHVJQXMXODUCO-NQIIRXRSSA-N 2 0 341.499 3.389 20 0 EGADRP c1cncc(COc2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2)c1 ZINC000430920512 458504931 /nfs/dbraw/zinc/50/49/31/458504931.db2.gz PMCGJMFXGWVETA-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430925157 458506845 /nfs/dbraw/zinc/50/68/45/458506845.db2.gz KSLMABVFFBZUSK-KRWDZBQOSA-N 2 0 332.451 3.320 20 0 EGADRP CCc1nc2cc(CNC(=O)[C@@]3(CC)CCC[NH2+]3)ccc2n1C1CC1 ZINC000423929842 458514141 /nfs/dbraw/zinc/51/41/41/458514141.db2.gz JIPVWPVZLRDRKC-HXUWFJFHSA-N 2 0 340.471 3.082 20 0 EGADRP CC(C)(C)[C@H]1CN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000423929190 458514594 /nfs/dbraw/zinc/51/45/94/458514594.db2.gz ZHYGBZXHVPTOMI-SFHVURJKSA-N 2 0 343.515 3.366 20 0 EGADRP CCC[NH+]1CCC(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424143828 458568920 /nfs/dbraw/zinc/56/89/20/458568920.db2.gz GJLBQBSWRXCRSC-IBGZPJMESA-N 2 0 337.552 3.303 20 0 EGADRP CCC[NH+]1CCC(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424143829 458569609 /nfs/dbraw/zinc/56/96/09/458569609.db2.gz GJLBQBSWRXCRSC-LJQANCHMSA-N 2 0 337.552 3.303 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC[C@@H]1CCC[N@@H+]1C ZINC000469770981 458589896 /nfs/dbraw/zinc/58/98/96/458589896.db2.gz XEWZZUBDDKHHFN-GGPKGHCWSA-N 2 0 329.532 3.217 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438561348 458597918 /nfs/dbraw/zinc/59/79/18/458597918.db2.gz KQIVQMQQFWLJCA-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000424272912 458600521 /nfs/dbraw/zinc/60/05/21/458600521.db2.gz VIMIDTIVBYLOKZ-PBPGXSGUSA-N 2 0 344.499 3.492 20 0 EGADRP CC(C)(CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000431657318 458601682 /nfs/dbraw/zinc/60/16/82/458601682.db2.gz BLEJKTYLPRPDRD-SFHVURJKSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431721505 458612997 /nfs/dbraw/zinc/61/29/97/458612997.db2.gz DPAIETZPDYMAAB-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424318358 458614616 /nfs/dbraw/zinc/61/46/16/458614616.db2.gz FUOHODDXFUQMCO-YLFCFFPRSA-N 2 0 326.525 3.309 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431785234 458623758 /nfs/dbraw/zinc/62/37/58/458623758.db2.gz ORPFWNKBDNXIJJ-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP COc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000424369368 458626219 /nfs/dbraw/zinc/62/62/19/458626219.db2.gz BHKQQTITBBCBHG-MRXNPFEDSA-N 2 0 332.488 3.446 20 0 EGADRP CCOCc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424369293 458626351 /nfs/dbraw/zinc/62/63/51/458626351.db2.gz BBPMNPNKUGZLJM-MRXNPFEDSA-N 2 0 332.488 3.196 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cnn(-c3ccc(Cl)cc3)c1)CC[NH2+]CC2 ZINC000424385684 458631119 /nfs/dbraw/zinc/63/11/19/458631119.db2.gz WIROHWYRBRSPOH-HNNXBMFYSA-N 2 0 344.890 3.490 20 0 EGADRP COc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424387018 458631606 /nfs/dbraw/zinc/63/16/06/458631606.db2.gz XZCUKIRWTVHUEF-CYBMUJFWSA-N 2 0 338.879 3.321 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470773394 458649530 /nfs/dbraw/zinc/64/95/30/458649530.db2.gz NVRJVQUCIKDERH-SIKLNZKXSA-N 2 0 340.511 3.407 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000502699828 458666086 /nfs/dbraw/zinc/66/60/86/458666086.db2.gz TWKDGKYHRAOVSP-INIZCTEOSA-N 2 0 334.504 3.407 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530232943 458724613 /nfs/dbraw/zinc/72/46/13/458724613.db2.gz MVGWNALBLGYSQX-KMFTYDHNSA-N 2 0 330.516 3.397 20 0 EGADRP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000547361121 458727443 /nfs/dbraw/zinc/72/74/43/458727443.db2.gz DIXLBYUURLIYCK-LJQANCHMSA-N 2 0 335.923 3.249 20 0 EGADRP c1c2ccccc2sc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247943 458730519 /nfs/dbraw/zinc/73/05/19/458730519.db2.gz DYNKYICZSHKGPW-QGZVFWFLSA-N 2 0 330.497 3.492 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473317897 458825478 /nfs/dbraw/zinc/82/54/78/458825478.db2.gz USGLMWAKGGPGNJ-UXHICEINSA-N 2 0 345.531 3.324 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000548064858 458832356 /nfs/dbraw/zinc/83/23/56/458832356.db2.gz JPSZQOMQPLUVFI-PXNSSMCTSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1)C1CC1 ZINC000457057065 458850944 /nfs/dbraw/zinc/85/09/44/458850944.db2.gz UJRNWEAFGLVENW-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC000441339856 458923495 /nfs/dbraw/zinc/92/34/95/458923495.db2.gz WKNMPHLICBYYOZ-VQTJNVASSA-N 2 0 329.532 3.013 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000495756385 458943355 /nfs/dbraw/zinc/94/33/55/458943355.db2.gz ZQXWDZVKAMWFMC-ZGRYLRDCSA-N 2 0 339.524 3.094 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3cccc(F)c3[C@H]2C)cc1 ZINC000577165924 458989207 /nfs/dbraw/zinc/98/92/07/458989207.db2.gz GFRTYAPNJXJSHF-RHSMWYFYSA-N 2 0 328.431 3.496 20 0 EGADRP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000495885850 458993361 /nfs/dbraw/zinc/99/33/61/458993361.db2.gz NXCKKVOBMHOZBQ-BZUAXINKSA-N 2 0 331.460 3.024 20 0 EGADRP Clc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000531968932 459009155 /nfs/dbraw/zinc/00/91/55/459009155.db2.gz JKYMNAJBXBUYMT-AUUYWEPGSA-N 2 0 334.891 3.418 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3C(C)(C)C)CC2)C1 ZINC000556898121 459029526 /nfs/dbraw/zinc/02/95/26/459029526.db2.gz GWOJXLTWKPQUQP-WOGUSJMUSA-N 2 0 349.563 3.312 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000556952961 459036439 /nfs/dbraw/zinc/03/64/39/459036439.db2.gz CSDDLPOEENEGIL-NEPJUHHUSA-N 2 0 331.382 3.140 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532197234 459044440 /nfs/dbraw/zinc/04/44/40/459044440.db2.gz HIMINOLVICIMEX-HNNXBMFYSA-N 2 0 337.467 3.484 20 0 EGADRP C[C@@]1(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC[NH2+]C1 ZINC000496039799 459046479 /nfs/dbraw/zinc/04/64/79/459046479.db2.gz BIKSHRNJMDRXAW-YLJYHZDGSA-N 2 0 345.487 3.019 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC000577528240 459047809 /nfs/dbraw/zinc/04/78/09/459047809.db2.gz GTIBVOBMJOUVMT-IKGGRYGDSA-N 2 0 339.886 3.303 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000577584701 459055590 /nfs/dbraw/zinc/05/55/90/459055590.db2.gz UCWGGOAFZOCZRD-KSZKVXGTSA-N 2 0 346.515 3.341 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCCC1 ZINC000577684609 459073341 /nfs/dbraw/zinc/07/33/41/459073341.db2.gz MOJJTRGPTCJIQC-BQJUDKOJSA-N 2 0 328.500 3.038 20 0 EGADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496124989 459076221 /nfs/dbraw/zinc/07/62/21/459076221.db2.gz QUONLAKZLVNOMK-HZPDHXFCSA-N 2 0 339.524 3.286 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCCNc3cc[nH+]c(C)c3)CC2)c1 ZINC000478296406 459085361 /nfs/dbraw/zinc/08/53/61/459085361.db2.gz GODUQCYUGOROCJ-UHFFFAOYSA-N 2 0 338.499 3.135 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496146385 459085797 /nfs/dbraw/zinc/08/57/97/459085797.db2.gz KSPXMYYRAJGQMK-DLBZAZTESA-N 2 0 339.524 3.096 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532482496 459096405 /nfs/dbraw/zinc/09/64/05/459096405.db2.gz DHYGAUGMARWLIS-OAQYLSRUSA-N 2 0 329.532 3.391 20 0 EGADRP Cc1ccccc1OC[C@H](O)C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000567581531 459128442 /nfs/dbraw/zinc/12/84/42/459128442.db2.gz GBZGTGWVJUMLFC-QWFCFKBJSA-N 2 0 348.531 3.082 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000521246772 459135869 /nfs/dbraw/zinc/13/58/69/459135869.db2.gz MDCYPRRCIQMADH-QGZVFWFLSA-N 2 0 339.911 3.181 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000567677858 459143975 /nfs/dbraw/zinc/14/39/75/459143975.db2.gz CINXTJYHOYDFBB-PMACEKPBSA-N 2 0 348.531 3.287 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479577696 459150314 /nfs/dbraw/zinc/15/03/14/459150314.db2.gz XBVYAXCRSMQIKQ-QGZVFWFLSA-N 2 0 342.531 3.148 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479777229 459166181 /nfs/dbraw/zinc/16/61/81/459166181.db2.gz OOTRBWZOWRGAGA-SVFBPWRDSA-N 2 0 349.478 3.134 20 0 EGADRP Cc1ccc(CCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000578361979 459189385 /nfs/dbraw/zinc/18/93/85/459189385.db2.gz FYRAJUMOOXCRMB-UHFFFAOYSA-N 2 0 330.516 3.362 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000558723224 459204501 /nfs/dbraw/zinc/20/45/01/459204501.db2.gz OJKNQXRCZHIRFG-OTWHNJEPSA-N 2 0 338.536 3.205 20 0 EGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3cc(F)cc(F)c3)c2cc1C ZINC000558750788 459208332 /nfs/dbraw/zinc/20/83/32/459208332.db2.gz RFJJULABCSOPLK-KRWDZBQOSA-N 2 0 345.393 3.082 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@H](C)c1cncnc1C)c1ccccc1 ZINC000578522367 459214743 /nfs/dbraw/zinc/21/47/43/459214743.db2.gz JLVMALPTVGLNLK-XLIONFOSSA-N 2 0 342.487 3.145 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000533299026 459214862 /nfs/dbraw/zinc/21/48/62/459214862.db2.gz FHVMIQIOJYDEPD-KRWDZBQOSA-N 2 0 343.515 3.039 20 0 EGADRP Cc1cccc(CCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000480781258 459218517 /nfs/dbraw/zinc/21/85/17/459218517.db2.gz QCBHQGZJYCUKOF-UHFFFAOYSA-N 2 0 330.516 3.362 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000590787313 459218662 /nfs/dbraw/zinc/21/86/62/459218662.db2.gz ZLOQTWFBDRIZKQ-GOSISDBHSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000590786747 459219653 /nfs/dbraw/zinc/21/96/53/459219653.db2.gz OTPASRXZXUVVQX-UHFFFAOYSA-N 2 0 343.515 3.018 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000595065519 459234701 /nfs/dbraw/zinc/23/47/01/459234701.db2.gz CYLICGIHAYADRQ-MRXNPFEDSA-N 2 0 347.503 3.004 20 0 EGADRP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000533440990 459236002 /nfs/dbraw/zinc/23/60/02/459236002.db2.gz VMLCWDLTBKMFKJ-FCGDIQPGSA-N 2 0 326.525 3.155 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000568247079 459256711 /nfs/dbraw/zinc/25/67/11/459256711.db2.gz BBTCMOZSDXJNJJ-QZTJIDSGSA-N 3 0 335.923 3.412 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000533865796 459274767 /nfs/dbraw/zinc/27/47/67/459274767.db2.gz AZRQEOBNONMLDK-RDJZCZTQSA-N 2 0 348.450 3.390 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC[C@@H]3CCc4ccccc43)C2)CC1 ZINC000595340224 459280595 /nfs/dbraw/zinc/28/05/95/459280595.db2.gz RINZADPLCRGYKF-SFTDATJTSA-N 2 0 341.543 3.207 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000481971237 459283063 /nfs/dbraw/zinc/28/30/63/459283063.db2.gz GQCLGQGGOJLCQW-RTBURBONSA-N 2 0 347.547 3.398 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496721282 459299643 /nfs/dbraw/zinc/29/96/43/459299643.db2.gz PEUUMRWGADTUJA-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3Cn3cc(C4CC4)nn3)cc2)cn1 ZINC000560341928 459326454 /nfs/dbraw/zinc/32/64/54/459326454.db2.gz RRHAWONJAWVQKA-IBGZPJMESA-N 2 0 348.454 3.006 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000582251700 459335469 /nfs/dbraw/zinc/33/54/69/459335469.db2.gz DNZJPOXIJKSWPA-MGPQQGTHSA-N 2 0 328.287 3.432 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1OC ZINC000582436282 459364578 /nfs/dbraw/zinc/36/45/78/459364578.db2.gz HTMWIKZPPHUJBJ-WBAXXEDZSA-N 2 0 334.504 3.406 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000560594057 459377393 /nfs/dbraw/zinc/37/73/93/459377393.db2.gz FRSQQESWDMQUMM-OXJNMPFZSA-N 2 0 334.479 3.431 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000525180786 459424859 /nfs/dbraw/zinc/42/48/59/459424859.db2.gz DNDADPHAWDZTPI-TZIWHRDSSA-N 2 0 329.532 3.363 20 0 EGADRP Cc1ccccc1[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331179 459432581 /nfs/dbraw/zinc/43/25/81/459432581.db2.gz KRLDLWPPZMGMJB-XLIONFOSSA-N 2 0 328.431 3.250 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000582868880 459441992 /nfs/dbraw/zinc/44/19/92/459441992.db2.gz MVUXOSXVJFTURP-IBGZPJMESA-N 2 0 331.548 3.404 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469097 459458040 /nfs/dbraw/zinc/45/80/40/459458040.db2.gz NBYWKOLKHBTJHZ-UXHICEINSA-N 2 0 348.437 3.151 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000569811102 459514492 /nfs/dbraw/zinc/51/44/92/459514492.db2.gz KIVPIVYPCGMFBW-DKUWSORSSA-N 3 0 335.495 3.431 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000562293754 459532593 /nfs/dbraw/zinc/53/25/93/459532593.db2.gz RTQWMKVCMPMEDX-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569961343 459538417 /nfs/dbraw/zinc/53/84/17/459538417.db2.gz MIIREQYQBZGAAG-LEWJYISDSA-N 2 0 348.531 3.054 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000583559787 459558590 /nfs/dbraw/zinc/55/85/90/459558590.db2.gz KBNNNVDQPPHKPD-OAQYLSRUSA-N 2 0 332.532 3.328 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CCC)[NH2+]C(C)C)CC1 ZINC000498271522 459578005 /nfs/dbraw/zinc/57/80/05/459578005.db2.gz HWAYGXCEKSDGIF-GOSISDBHSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542701804 459582965 /nfs/dbraw/zinc/58/29/65/459582965.db2.gz LCQXFOMUEZARAJ-QWNKOJSDSA-N 2 0 338.442 3.411 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000542778916 459591481 /nfs/dbraw/zinc/59/14/81/459591481.db2.gz PAHNKCSAJZTPGT-UHFFFAOYSA-N 2 0 335.495 3.374 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000498924754 459612243 /nfs/dbraw/zinc/61/22/43/459612243.db2.gz PCJKDNFWDHNGMB-GOSISDBHSA-N 2 0 338.536 3.456 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000543431396 459656568 /nfs/dbraw/zinc/65/65/68/459656568.db2.gz GNMDGHQNSAOAEW-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000562836217 459657552 /nfs/dbraw/zinc/65/75/52/459657552.db2.gz XKVPSBBJGWRAEX-GOEBONIOSA-N 2 0 344.434 3.055 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000500490809 459681622 /nfs/dbraw/zinc/68/16/22/459681622.db2.gz LWPJGPVCWQRSER-SFHVURJKSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+]1CCC(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000584218285 459683398 /nfs/dbraw/zinc/68/33/98/459683398.db2.gz SSJBKRLUKFAMLO-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000573727698 459724748 /nfs/dbraw/zinc/72/47/48/459724748.db2.gz RLVJFGQRAPWCPB-IAGOWNOFSA-N 2 0 339.483 3.174 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)n1ccnc1 ZINC000563216547 459741884 /nfs/dbraw/zinc/74/18/84/459741884.db2.gz HWAOEIGRUDZRNW-OAHLLOKOSA-N 2 0 326.444 3.110 20 0 EGADRP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160760 459804587 /nfs/dbraw/zinc/80/45/87/459804587.db2.gz BAJAGXKTGYGNLD-OTYXRUKQSA-N 2 0 337.678 3.364 20 0 EGADRP O=C(CC[NH2+]C[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1 ZINC000566117860 459808495 /nfs/dbraw/zinc/80/84/95/459808495.db2.gz VBDRFHLESXKGFN-HXUWFJFHSA-N 2 0 337.467 3.269 20 0 EGADRP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000574399409 459814080 /nfs/dbraw/zinc/81/40/80/459814080.db2.gz DGZYMODSYRYEKK-WBVHZDCISA-N 2 0 340.471 3.428 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000566171613 459818120 /nfs/dbraw/zinc/81/81/20/459818120.db2.gz OTIJOAVGFRIVKP-KRWDZBQOSA-N 2 0 345.531 3.455 20 0 EGADRP COC(=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1F ZINC000597054090 459826067 /nfs/dbraw/zinc/82/60/67/459826067.db2.gz OURFNLWFHXRXCZ-UHFFFAOYSA-N 2 0 336.451 3.358 20 0 EGADRP Fc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000566229485 459826761 /nfs/dbraw/zinc/82/67/61/459826761.db2.gz DBKUDIJFBRLQOH-AWEZNQCLSA-N 2 0 328.378 3.249 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cncc(Br)c1 ZINC000575002974 459907671 /nfs/dbraw/zinc/90/76/71/459907671.db2.gz ABTIKDIJZARCDZ-LBPRGKRZSA-N 2 0 326.282 3.369 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000618398448 459998358 /nfs/dbraw/zinc/99/83/58/459998358.db2.gz YEOSEZDATKZGMU-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC000618424474 460008095 /nfs/dbraw/zinc/00/80/95/460008095.db2.gz IXDHULDBTLVOTF-OXQOHEQNSA-N 2 0 349.519 3.362 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618669061 460120117 /nfs/dbraw/zinc/12/01/17/460120117.db2.gz DVPKFICTWKFNJL-ICSRJNTNSA-N 2 0 343.515 3.203 20 0 EGADRP COC(=O)CC1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000599041621 460136380 /nfs/dbraw/zinc/13/63/80/460136380.db2.gz FVGNBFZOIZOSBN-PBHCIXSXSA-N 2 0 336.520 3.351 20 0 EGADRP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000576607769 460178492 /nfs/dbraw/zinc/17/84/92/460178492.db2.gz GOKKHYHGDDFTBI-HKUYNNGSSA-N 2 0 336.907 3.051 20 0 EGADRP COC(=O)CCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000599338898 460232278 /nfs/dbraw/zinc/23/22/78/460232278.db2.gz IXWRMTUXMNTDEU-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP CC[C@H]1CCCCN1C(=O)C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061928 460358359 /nfs/dbraw/zinc/35/83/59/460358359.db2.gz ZJUMLOWYWIMSDQ-FQEVSTJZSA-N 2 0 345.531 3.361 20 0 EGADRP C[NH+]1CCN(C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000623015122 460384272 /nfs/dbraw/zinc/38/42/72/460384272.db2.gz GFFOBPYUSSFPJS-OAQYLSRUSA-N 2 0 329.532 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000604389373 460417271 /nfs/dbraw/zinc/41/72/71/460417271.db2.gz ZMAHJLDVYJFSMP-QFIPXVFZSA-N 2 0 337.511 3.094 20 0 EGADRP CC(C)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000634679881 460473637 /nfs/dbraw/zinc/47/36/37/460473637.db2.gz GFZOKMJAURWEGN-LJQANCHMSA-N 2 0 339.474 3.278 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(-c2ccnn2C)c1 ZINC000634733423 460498188 /nfs/dbraw/zinc/49/81/88/460498188.db2.gz FMDAGTBDNHQLKB-QGZVFWFLSA-N 2 0 326.488 3.263 20 0 EGADRP c1c(C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629417010 460751964 /nfs/dbraw/zinc/75/19/64/460751964.db2.gz LRHWMQMMBBUQOP-GUDVDZBRSA-N 2 0 331.508 3.041 20 0 EGADRP Cc1cccc([C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000623893584 460765079 /nfs/dbraw/zinc/76/50/79/460765079.db2.gz WGSVVURVSWIIQQ-FPOVZHCZSA-N 2 0 329.532 3.450 20 0 EGADRP C[N@H+](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)CC(C)(C)C ZINC000635489042 460807126 /nfs/dbraw/zinc/80/71/26/460807126.db2.gz WUFZHJXKKRUISJ-UHFFFAOYSA-N 2 0 346.519 3.109 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCN2CC(F)F)CC1 ZINC000624095864 460858503 /nfs/dbraw/zinc/85/85/03/460858503.db2.gz NZJNUICKXREAEB-NJAFHUGGSA-N 2 0 343.506 3.349 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000624121124 460871459 /nfs/dbraw/zinc/87/14/59/460871459.db2.gz OORMREBVQNJWIP-HMXCVIKNSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@@H]1Cc2ccc(-c3ccccc3C[NH+]3CCN(C)CC3)cc2C[NH2+]1 ZINC000629735986 460897474 /nfs/dbraw/zinc/89/74/74/460897474.db2.gz KUUUIWXKFDPRPK-QGZVFWFLSA-N 2 0 335.495 3.135 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000628188132 461040343 /nfs/dbraw/zinc/04/03/43/461040343.db2.gz OUDXKPVTDAGFOI-UHFFFAOYSA-N 2 0 340.515 3.158 20 0 EGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000608359195 461045651 /nfs/dbraw/zinc/04/56/51/461045651.db2.gz HOKANOUXLBDWSG-HNNXBMFYSA-N 2 0 343.471 3.097 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628216941 461053596 /nfs/dbraw/zinc/05/35/96/461053596.db2.gz GHOQIZCLGSJLQF-KRWDZBQOSA-N 2 0 344.421 3.074 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)o1 ZINC000608610829 461094233 /nfs/dbraw/zinc/09/42/33/461094233.db2.gz FLIBMBFBRAVMFL-SJORKVTESA-N 2 0 347.503 3.209 20 0 EGADRP CCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000662256658 461143926 /nfs/dbraw/zinc/14/39/26/461143926.db2.gz MUQYMDMBESQISJ-AQNXPRMDSA-N 2 0 328.500 3.358 20 0 EGADRP CCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000662256669 461144692 /nfs/dbraw/zinc/14/46/92/461144692.db2.gz MUQYMDMBESQISJ-ZCNNSNEGSA-N 2 0 328.500 3.358 20 0 EGADRP Fc1ccc(SCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000662275131 461160347 /nfs/dbraw/zinc/16/03/47/461160347.db2.gz SLEJJQKEMPHAOY-UONOGXRCSA-N 2 0 326.456 3.378 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000662273025 461161167 /nfs/dbraw/zinc/16/11/67/461161167.db2.gz JMYNAAOGVFAMLP-IRXDYDNUSA-N 2 0 341.455 3.172 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641168435 461161418 /nfs/dbraw/zinc/16/14/18/461161418.db2.gz FEMUDLYWFFHARN-WMZOPIPTSA-N 2 0 347.894 3.243 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293009 461171064 /nfs/dbraw/zinc/17/10/64/461171064.db2.gz QHFBICZPPHMWFK-VQIMIIECSA-N 2 0 343.515 3.288 20 0 EGADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000662294495 461172103 /nfs/dbraw/zinc/17/21/03/461172103.db2.gz WYLAAVDRDYCDBW-CQSZACIVSA-N 2 0 327.394 3.312 20 0 EGADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294748 461172749 /nfs/dbraw/zinc/17/27/49/461172749.db2.gz MHUAEAPWQUEUDB-LJQANCHMSA-N 2 0 343.515 3.208 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295547 461176625 /nfs/dbraw/zinc/17/66/25/461176625.db2.gz GPBTVZBYKVUVCB-WBVHZDCISA-N 2 0 347.478 3.173 20 0 EGADRP CC[C@H](OCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000649566131 461180497 /nfs/dbraw/zinc/18/04/97/461180497.db2.gz CSLOTPKXYNZFBC-XSDIEEQYSA-N 2 0 346.515 3.338 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)[C@@H]1CCC[NH3+] ZINC000662313236 461186518 /nfs/dbraw/zinc/18/65/18/461186518.db2.gz HLABICHFMCLNOM-OZOXKJRCSA-N 2 0 343.515 3.093 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662458945 461252013 /nfs/dbraw/zinc/25/20/13/461252013.db2.gz AOCXGDYUGJRCEJ-IRXDYDNUSA-N 2 0 341.499 3.016 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000662459295 461252250 /nfs/dbraw/zinc/25/22/50/461252250.db2.gz FXRNYUOMESGRNZ-FHWLQOOXSA-N 2 0 337.552 3.111 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000655444440 461254613 /nfs/dbraw/zinc/25/46/13/461254613.db2.gz WQSXXJWFYXSMEP-FPOVZHCZSA-N 2 0 341.499 3.247 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000659279278 461270319 /nfs/dbraw/zinc/27/03/19/461270319.db2.gz YOWPZAIBBLMRIO-OAQYLSRUSA-N 2 0 349.478 3.002 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C)C1)CC2 ZINC000638178584 461291707 /nfs/dbraw/zinc/29/17/07/461291707.db2.gz ORFAABHEPLWGJV-CGTJXYLNSA-N 2 0 330.472 3.107 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(C)(C)Oc1ccccc1 ZINC000638181033 461293931 /nfs/dbraw/zinc/29/39/31/461293931.db2.gz LOFMUYGHRKPQKR-NEWSRXKRSA-N 2 0 332.488 3.028 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)C1 ZINC000662676492 461344138 /nfs/dbraw/zinc/34/41/38/461344138.db2.gz XJXWTHJTMBJVNI-QAPCUYQASA-N 2 0 329.488 3.245 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c1 ZINC000662682145 461345518 /nfs/dbraw/zinc/34/55/18/461345518.db2.gz GJYJDLKGLFLMSM-SFHVURJKSA-N 2 0 337.467 3.379 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)sn1 ZINC000638312993 461360895 /nfs/dbraw/zinc/36/08/95/461360895.db2.gz MKSVWPNQLTUGRA-UHFFFAOYSA-N 2 0 331.485 3.427 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000633965741 461361205 /nfs/dbraw/zinc/36/12/05/461361205.db2.gz RZOUVGBWLUBIQE-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641775081 461366266 /nfs/dbraw/zinc/36/62/66/461366266.db2.gz KFKFISWNOBAMQI-GHTZIAJQSA-N 2 0 329.532 3.391 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)sn1 ZINC000638335335 461375281 /nfs/dbraw/zinc/37/52/81/461375281.db2.gz MKBFPEYPKCZQED-HZPDHXFCSA-N 2 0 345.512 3.351 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(OC(F)F)c1 ZINC000638364287 461388141 /nfs/dbraw/zinc/38/81/41/461388141.db2.gz FOHKZAFOYNYFBZ-CYBMUJFWSA-N 2 0 342.430 3.174 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000652871497 461393903 /nfs/dbraw/zinc/39/39/03/461393903.db2.gz LDZGSJRCXCENFL-GOSISDBHSA-N 2 0 349.544 3.399 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000655767117 461432812 /nfs/dbraw/zinc/43/28/12/461432812.db2.gz QGMKMGQMEOYHHB-UHFFFAOYSA-N 2 0 338.499 3.453 20 0 EGADRP CC(C)CNC(=O)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659838811 461446616 /nfs/dbraw/zinc/44/66/16/461446616.db2.gz PLDLSDXHXVQQLY-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666087293 461448993 /nfs/dbraw/zinc/44/89/93/461448993.db2.gz BLAROHIMEOZSET-KRWDZBQOSA-N 2 0 336.907 3.288 20 0 EGADRP FC(F)(F)c1ccncc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668826711 461457335 /nfs/dbraw/zinc/45/73/35/461457335.db2.gz JRELBXXBAUUCQR-UHFFFAOYSA-N 2 0 336.361 3.254 20 0 EGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@H]2CCc3ccccc32)CC1 ZINC000659891561 461485665 /nfs/dbraw/zinc/48/56/65/461485665.db2.gz OTQQOAQPVWUYGN-FXAWDEMLSA-N 2 0 330.516 3.131 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000653107954 461505169 /nfs/dbraw/zinc/50/51/69/461505169.db2.gz DAYCUNQUWZEWJA-SFHVURJKSA-N 2 0 329.488 3.247 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957850 461517097 /nfs/dbraw/zinc/51/70/97/461517097.db2.gz YIYOYQBEUAOMRJ-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000659980134 461526749 /nfs/dbraw/zinc/52/67/49/461526749.db2.gz RPBZJFOVCOGNGS-INIZCTEOSA-N 2 0 347.528 3.272 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659982454 461528685 /nfs/dbraw/zinc/52/86/85/461528685.db2.gz NHTDXVRWKDMMDD-YJBOKZPZSA-N 2 0 347.528 3.153 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2Sc3ccccc3NC2=O)C[C@@H]1C ZINC000659983088 461529041 /nfs/dbraw/zinc/52/90/41/461529041.db2.gz DEUGCNLBZXLAAI-MPGHIAIKSA-N 2 0 347.528 3.294 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC000631079858 461529800 /nfs/dbraw/zinc/52/98/00/461529800.db2.gz UMJKNTOHZINKAZ-UHFFFAOYSA-N 2 0 345.531 3.376 20 0 EGADRP CC(C)Cn1nccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000647169880 461538414 /nfs/dbraw/zinc/53/84/14/461538414.db2.gz FAZLCSYQNNDVRF-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP Cc1ccc(CC[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000638718345 461546114 /nfs/dbraw/zinc/54/61/14/461546114.db2.gz GRCUHGCXRHTGRY-UHFFFAOYSA-N 2 0 338.495 3.284 20 0 EGADRP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663344402 461571074 /nfs/dbraw/zinc/57/10/74/461571074.db2.gz SWQDXXNWVOYCRL-HNNXBMFYSA-N 2 0 330.501 3.350 20 0 EGADRP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343722 461571171 /nfs/dbraw/zinc/57/11/71/461571171.db2.gz CMBCOKRPSKMGLE-CTNGQTDRSA-N 2 0 344.499 3.066 20 0 EGADRP CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000647243087 461584041 /nfs/dbraw/zinc/58/40/41/461584041.db2.gz DAUJPJHKACUBTN-HKUYNNGSSA-N 2 0 347.547 3.104 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663357935 461587641 /nfs/dbraw/zinc/58/76/41/461587641.db2.gz ZYLDMLBCHSIZED-RTBURBONSA-N 2 0 345.531 3.387 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000653253235 461591184 /nfs/dbraw/zinc/59/11/84/461591184.db2.gz MESSPPWHJFGOCA-QAPCUYQASA-N 2 0 349.544 3.432 20 0 EGADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253430 461593498 /nfs/dbraw/zinc/59/34/98/461593498.db2.gz UECWAYPZVIGWGX-INIZCTEOSA-N 2 0 347.528 3.203 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)[C@H](C)[C@H]2C)cc1)C(C)C ZINC000650149805 461601151 /nfs/dbraw/zinc/60/11/51/461601151.db2.gz KKPSRRILQDWPRG-KZNAEPCWSA-N 2 0 345.531 3.470 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCSc1cccc(Cl)c1 ZINC000660145741 461605558 /nfs/dbraw/zinc/60/55/58/461605558.db2.gz XKTFEHVVTCCKGZ-UHFFFAOYSA-N 2 0 341.952 3.001 20 0 EGADRP c1ccc([C@@H]2C[C@@H](NCCC[NH+]3CCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638849274 461614736 /nfs/dbraw/zinc/61/47/36/461614736.db2.gz RSWHSQLAAASUBZ-FPOVZHCZSA-N 3 0 327.516 3.430 20 0 EGADRP c1ccc([C@H]2C[C@H](NCCC[NH+]3CCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638849276 461614916 /nfs/dbraw/zinc/61/49/16/461614916.db2.gz RSWHSQLAAASUBZ-TZIWHRDSSA-N 3 0 327.516 3.430 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000647288586 461615093 /nfs/dbraw/zinc/61/50/93/461615093.db2.gz HSCJQXFSURDDHB-FXAWDEMLSA-N 2 0 333.520 3.008 20 0 EGADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638853807 461618573 /nfs/dbraw/zinc/61/85/73/461618573.db2.gz KGAHJCNFNCBRPK-VQIMIIECSA-N 2 0 331.504 3.064 20 0 EGADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638853804 461618805 /nfs/dbraw/zinc/61/88/05/461618805.db2.gz KGAHJCNFNCBRPK-APWZRJJASA-N 2 0 331.504 3.064 20 0 EGADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000656201257 461646358 /nfs/dbraw/zinc/64/63/58/461646358.db2.gz MHYJHKQDJDLHTF-DYVFJYSZSA-N 2 0 327.428 3.032 20 0 EGADRP C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000663465937 461655914 /nfs/dbraw/zinc/65/59/14/461655914.db2.gz ZSONVQXVTKEMDP-GNZRSQJKSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1-n1ccnn1 ZINC000663465544 461655933 /nfs/dbraw/zinc/65/59/33/461655933.db2.gz KJMOOWLHUIVQGI-WMZOPIPTSA-N 2 0 339.487 3.040 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CC(C)(C)c3ccccc3)CC2)CC1 ZINC000643295918 461672017 /nfs/dbraw/zinc/67/20/17/461672017.db2.gz UTDFRUJXWWVHFO-UHFFFAOYSA-N 2 0 343.559 3.456 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643453186 461731260 /nfs/dbraw/zinc/73/12/60/461731260.db2.gz MQFJTUAJXNDQSE-JVPBZIDWSA-N 2 0 337.458 3.301 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455525 461732239 /nfs/dbraw/zinc/73/22/39/461732239.db2.gz OQHZKJAATXIZPI-NOLJZWGESA-N 2 0 327.394 3.001 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000643455778 461732730 /nfs/dbraw/zinc/73/27/30/461732730.db2.gz XMMICIOZEKOQLP-QRVBRYPASA-N 2 0 331.504 3.082 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000643462842 461735167 /nfs/dbraw/zinc/73/51/67/461735167.db2.gz MRWZJZYBFJVDMM-UOVPBQLFSA-N 2 0 335.442 3.054 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@@H]2CCCOC2)cc1 ZINC000656406070 461735664 /nfs/dbraw/zinc/73/56/64/461735664.db2.gz LTPUKYYTSOGRNO-QSUVIHHLSA-N 2 0 326.484 3.008 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000643465041 461736911 /nfs/dbraw/zinc/73/69/11/461736911.db2.gz PUVQRUPDQMYVSI-IAGOWNOFSA-N 2 0 336.464 3.482 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000639118638 461738576 /nfs/dbraw/zinc/73/85/76/461738576.db2.gz DFIPLVQRGRWRSQ-QFBILLFUSA-N 2 0 334.479 3.287 20 0 EGADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543159 461757756 /nfs/dbraw/zinc/75/77/56/461757756.db2.gz IIPIQZFNMXVJAJ-VQTJNVASSA-N 2 0 338.499 3.143 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643545810 461759261 /nfs/dbraw/zinc/75/92/61/461759261.db2.gz CMPFRUZXPPRBON-UKRRQHHQSA-N 2 0 327.472 3.242 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)O[C@@H](C)C2 ZINC000647543717 461759711 /nfs/dbraw/zinc/75/97/11/461759711.db2.gz RLPPTYGUPFHEMH-BBWFWOEESA-N 2 0 344.499 3.230 20 0 EGADRP c1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647543605 461759981 /nfs/dbraw/zinc/75/99/81/461759981.db2.gz QEIISEANHJVYRY-PMACEKPBSA-N 2 0 336.483 3.355 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547831 461760335 /nfs/dbraw/zinc/76/03/35/461760335.db2.gz JOPJVHOEGNHNDG-BURNTYAHSA-N 2 0 339.527 3.446 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CCC3CCOCC3)cc2)CC1 ZINC000639147760 461762168 /nfs/dbraw/zinc/76/21/68/461762168.db2.gz WZCJCVALWDUNAB-UHFFFAOYSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000653617348 461763657 /nfs/dbraw/zinc/76/36/57/461763657.db2.gz YWJZKGYYWWJSAR-HKUYNNGSSA-N 2 0 344.503 3.230 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666743558 461785606 /nfs/dbraw/zinc/78/56/06/461785606.db2.gz BRLXSYGAXDKGBH-QAPCUYQASA-N 2 0 332.879 3.192 20 0 EGADRP COc1cccc2c(N3C[C@H](OC)C[C@H]3c3ncc[nH]3)cc(C)nc12 ZINC000643745178 461795558 /nfs/dbraw/zinc/79/55/58/461795558.db2.gz WCOFDRHWSBKKBJ-CJNGLKHVSA-N 2 0 338.411 3.241 20 0 EGADRP CC(C)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(O)c(=O)c1 ZINC000663832289 461828213 /nfs/dbraw/zinc/82/82/13/461828213.db2.gz VQYSPWVIWIMFTG-UHFFFAOYSA-N 2 0 346.515 3.430 20 0 EGADRP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647785857 461833318 /nfs/dbraw/zinc/83/33/18/461833318.db2.gz FSWXGWYYGRDYDL-NWANDNLSSA-N 2 0 328.378 3.105 20 0 EGADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791788 461836697 /nfs/dbraw/zinc/83/66/97/461836697.db2.gz MYIWOSNOQKGBSS-DZJNRPSUSA-N 2 0 329.488 3.149 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000666856334 461837208 /nfs/dbraw/zinc/83/72/08/461837208.db2.gz BHEBAXJJCSLVIE-AWEZNQCLSA-N 2 0 346.393 3.258 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792341 461837131 /nfs/dbraw/zinc/83/71/31/461837131.db2.gz ZKMDMNXGNWTGSL-CEMLEFRQSA-N 3 0 341.543 3.396 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856509 461838681 /nfs/dbraw/zinc/83/86/81/461838681.db2.gz MMYILFGVSWHBMV-CYBMUJFWSA-N 2 0 329.307 3.403 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000647797850 461840512 /nfs/dbraw/zinc/84/05/12/461840512.db2.gz FMZGXASJRSGXCZ-ABFRBSLYSA-N 2 0 342.405 3.107 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000647797940 461840822 /nfs/dbraw/zinc/84/08/22/461840822.db2.gz HSQJRXDZUHIZHQ-RKTXRCNFSA-N 2 0 328.435 3.050 20 0 EGADRP COc1cc(C)c([C@@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000639286533 461843770 /nfs/dbraw/zinc/84/37/70/461843770.db2.gz BQMLFGCKOFYWEA-QGZVFWFLSA-N 2 0 332.488 3.170 20 0 EGADRP CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647871206 461866050 /nfs/dbraw/zinc/86/60/50/461866050.db2.gz ZJTLHLQTGRTVAD-GFCCVEGCSA-N 2 0 344.286 3.253 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621363 461884374 /nfs/dbraw/zinc/88/43/74/461884374.db2.gz MJBXPSXNHYDBLV-DOTOQJQBSA-N 2 0 342.936 3.208 20 0 EGADRP CCCCCOc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000666953775 461886234 /nfs/dbraw/zinc/88/62/34/461886234.db2.gz HSNXIRMNVXWTKK-LJQANCHMSA-N 2 0 332.488 3.496 20 0 EGADRP Clc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000666955461 461887552 /nfs/dbraw/zinc/88/75/52/461887552.db2.gz MIIHCUGEAAFRFN-CYBMUJFWSA-N 2 0 329.669 3.334 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC ZINC000656784916 461894305 /nfs/dbraw/zinc/89/43/05/461894305.db2.gz ICCXTCWEZNXTEM-GOSISDBHSA-N 2 0 332.488 3.306 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788911 461899559 /nfs/dbraw/zinc/89/95/59/461899559.db2.gz FZQBMWWFUQPCQL-LLVKDONJSA-N 2 0 329.257 3.380 20 0 EGADRP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706323 461900178 /nfs/dbraw/zinc/90/01/78/461900178.db2.gz IUCMASZUXZZYJQ-DZKIICNBSA-N 2 0 337.533 3.159 20 0 EGADRP CCc1noc(C2CCC([NH2+]Cc3ccc(C[NH3+])cc3F)CC2)n1 ZINC000650717535 461909230 /nfs/dbraw/zinc/90/92/30/461909230.db2.gz DOBPDESIARCTJX-UHFFFAOYSA-N 2 0 332.423 3.046 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000650722582 461914856 /nfs/dbraw/zinc/91/48/56/461914856.db2.gz XGDRKFLLYVDLLQ-YZGWKJHDSA-N 2 0 325.456 3.096 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974961 461917820 /nfs/dbraw/zinc/91/78/20/461917820.db2.gz DIMQDSUBFSZPDM-JKSUJKDBSA-N 2 0 349.906 3.299 20 0 EGADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976325 461918252 /nfs/dbraw/zinc/91/82/52/461918252.db2.gz NCCHGPKYLNBNAB-MOPGFXCFSA-N 2 0 343.515 3.208 20 0 EGADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977569 461919128 /nfs/dbraw/zinc/91/91/28/461919128.db2.gz DQEHVMBWERFADF-MSOLQXFVSA-N 2 0 332.488 3.176 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000647976501 461919393 /nfs/dbraw/zinc/91/93/93/461919393.db2.gz POCYLLADVSFFJC-OTWHNJEPSA-N 2 0 343.515 3.342 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)c1OC ZINC000650755808 461936101 /nfs/dbraw/zinc/93/61/01/461936101.db2.gz NKOGZLNZMWTWCA-ZDUSSCGKSA-N 2 0 346.446 3.331 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644522518 461969523 /nfs/dbraw/zinc/96/95/23/461969523.db2.gz OIZUDVLHYAQORJ-UHFFFAOYSA-N 2 0 335.467 3.256 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[C@@](O)(C(F)(F)F)C3)CC2)C1 ZINC000644553623 461983680 /nfs/dbraw/zinc/98/36/80/461983680.db2.gz SVISUPNKZPWNMU-SIXLDLHFSA-N 2 0 348.453 3.465 20 0 EGADRP Cc1cc(NC(=O)N2CCC(C)([NH3+])CC2)cnc1N1CCCC[C@H]1C ZINC000667345689 462050220 /nfs/dbraw/zinc/05/02/20/462050220.db2.gz KKNFPUXLWBLNOL-OAHLLOKOSA-N 2 0 345.491 3.114 20 0 EGADRP C([NH+]1CCC(C2CC2)CC1)C1(C[NH+]2CCC(C3CC3)CC2)COC1 ZINC000644719510 462050617 /nfs/dbraw/zinc/05/06/17/462050617.db2.gz YTWYCJZZDXDHAT-UHFFFAOYSA-N 2 0 332.532 3.247 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1F ZINC000657330070 462051431 /nfs/dbraw/zinc/05/14/31/462051431.db2.gz ZBYSRFWSVDGMAK-UHFFFAOYSA-N 2 0 339.418 3.221 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1 ZINC000657363652 462073690 /nfs/dbraw/zinc/07/36/90/462073690.db2.gz AAODNHHZWNGSHV-GOSISDBHSA-N 2 0 346.515 3.374 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]Cc2cnc3n2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414567 462107711 /nfs/dbraw/zinc/10/77/11/462107711.db2.gz BSUWQIZXWVSUQN-HKUYNNGSSA-N 2 0 338.499 3.220 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](CC)CC)CCO1 ZINC000648425800 462114228 /nfs/dbraw/zinc/11/42/28/462114228.db2.gz QDYKSAOUKHRBSB-RBUKOAKNSA-N 2 0 334.504 3.454 20 0 EGADRP Fc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1OC(F)F ZINC000657449864 462132540 /nfs/dbraw/zinc/13/25/40/462132540.db2.gz HFZYKHXPGOVITF-UHFFFAOYSA-N 2 0 328.378 3.391 20 0 EGADRP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000657474776 462146703 /nfs/dbraw/zinc/14/67/03/462146703.db2.gz RVIKIODKWCETCN-FQEVSTJZSA-N 2 0 332.488 3.210 20 0 EGADRP C[C@H]1C[C@@H](N(C)Cc2cnc3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667617892 462173962 /nfs/dbraw/zinc/17/39/62/462173962.db2.gz DOIQATAXPJHVOO-HKUYNNGSSA-N 2 0 338.499 3.314 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)C1 ZINC000657594563 462196267 /nfs/dbraw/zinc/19/62/67/462196267.db2.gz BRZUUEIUTPJNOE-BDTNDASRSA-N 2 0 336.479 3.147 20 0 EGADRP Cc1cccn2c(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)cnc12 ZINC000657613286 462203798 /nfs/dbraw/zinc/20/37/98/462203798.db2.gz WXSKCAQCCGSVLX-UHFFFAOYSA-N 2 0 349.482 3.040 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000645157982 462207450 /nfs/dbraw/zinc/20/74/50/462207450.db2.gz ZCWAVAGPSALFKL-MAUKXSAKSA-N 2 0 349.906 3.125 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000667729465 462234426 /nfs/dbraw/zinc/23/44/26/462234426.db2.gz IBPMTZTVAYZOKC-IBGZPJMESA-N 2 0 344.503 3.312 20 0 EGADRP CCC[NH+]1CCC([N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)CC1 ZINC000648725113 462246948 /nfs/dbraw/zinc/24/69/48/462246948.db2.gz DZLJSQASFFDJTK-UHFFFAOYSA-N 2 0 331.508 3.213 20 0 EGADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)CC[N@@H+]1C ZINC000648738436 462254569 /nfs/dbraw/zinc/25/45/69/462254569.db2.gz SIBFBETXWFKVPD-GPMSIDNRSA-N 2 0 329.488 3.197 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000667792519 462265489 /nfs/dbraw/zinc/26/54/89/462265489.db2.gz BIWAQLGIAWWTJV-GIVPXCGWSA-N 2 0 327.516 3.367 20 0 EGADRP Brc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000657811804 462278736 /nfs/dbraw/zinc/27/87/36/462278736.db2.gz HCJKCXJFQCWKGN-UHFFFAOYSA-N 2 0 327.266 3.254 20 0 EGADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC[NH+](CC2CC2)CC1 ZINC000657816065 462280452 /nfs/dbraw/zinc/28/04/52/462280452.db2.gz UQMLXTFGODCKOO-UHFFFAOYSA-N 3 0 333.564 3.495 20 0 EGADRP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000667853920 462295853 /nfs/dbraw/zinc/29/58/53/462295853.db2.gz SVMUHJTYIRRYPR-UYAOXDASSA-N 2 0 348.531 3.353 20 0 EGADRP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000651758877 462327592 /nfs/dbraw/zinc/32/75/92/462327592.db2.gz QXLGYCIXBUNKPE-PMACEKPBSA-N 2 0 348.531 3.184 20 0 EGADRP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000657969336 462332128 /nfs/dbraw/zinc/33/21/28/462332128.db2.gz NDXXRCXXFASHEA-YRPNKDGESA-N 2 0 328.500 3.168 20 0 EGADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000657975778 462334290 /nfs/dbraw/zinc/33/42/90/462334290.db2.gz GAUVNXFEVDDCQM-RBUKOAKNSA-N 2 0 343.559 3.112 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000657976868 462334537 /nfs/dbraw/zinc/33/45/37/462334537.db2.gz UREMJQPHQPDVMI-QFBILLFUSA-N 2 0 337.939 3.277 20 0 EGADRP COCc1csc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665263674 462375362 /nfs/dbraw/zinc/37/53/62/462375362.db2.gz RQDNSKKBGKHIFC-IEBWSBKVSA-N 2 0 344.480 3.240 20 0 EGADRP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292352 462388503 /nfs/dbraw/zinc/38/85/03/462388503.db2.gz ZIOWFCFCWGKQKY-INIZCTEOSA-N 2 0 348.878 3.041 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000665292773 462389386 /nfs/dbraw/zinc/38/93/86/462389386.db2.gz JHMLJMRAHSPKOH-LJQANCHMSA-N 2 0 342.487 3.425 20 0 EGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000665304264 462393652 /nfs/dbraw/zinc/39/36/52/462393652.db2.gz FHKNFCYBGFJXGF-FQEVSTJZSA-N 2 0 343.515 3.277 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163915 462414796 /nfs/dbraw/zinc/41/47/96/462414796.db2.gz BXYRYLSHTIZQJA-VQTJNVASSA-N 2 0 331.504 3.088 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC34CCOCC4)CC2)ccn1 ZINC000658165287 462414875 /nfs/dbraw/zinc/41/48/75/462414875.db2.gz ICZMZXVLDDYFOI-HXUWFJFHSA-N 2 0 343.515 3.233 20 0 EGADRP COC[C@@H](CC(C)(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166895 462415215 /nfs/dbraw/zinc/41/52/15/462415215.db2.gz VYERBQIQNVIKMX-LJQANCHMSA-N 2 0 333.520 3.334 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)ccn1 ZINC000658167898 462416089 /nfs/dbraw/zinc/41/60/89/462416089.db2.gz UQUFITAZKUREDV-MRXNPFEDSA-N 2 0 340.471 3.048 20 0 EGADRP CN(CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000645811364 462435107 /nfs/dbraw/zinc/43/51/07/462435107.db2.gz ONHLSZMQMTUCII-UHFFFAOYSA-N 2 0 345.531 3.090 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000658256991 462445511 /nfs/dbraw/zinc/44/55/11/462445511.db2.gz XYSYAHWLWWRFIP-MWXLCCTBSA-N 2 0 330.516 3.428 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652138525 462445897 /nfs/dbraw/zinc/44/58/97/462445897.db2.gz HNYYMHDABGFJAG-RHSMWYFYSA-N 2 0 348.487 3.237 20 0 EGADRP CO[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000658314283 462473798 /nfs/dbraw/zinc/47/37/98/462473798.db2.gz HRLGODUMRGTDPB-JXFKEZNVSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)c2ccc(C[NH3+])o2)CCCC1)c1ccccc1 ZINC000645958904 462479305 /nfs/dbraw/zinc/47/93/05/462479305.db2.gz MUCWZDXOEJSGCX-OAHLLOKOSA-N 2 0 341.455 3.132 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC000645978483 462485101 /nfs/dbraw/zinc/48/51/01/462485101.db2.gz QSAYMBJZIHCYKF-UHFFFAOYSA-N 2 0 335.923 3.335 20 0 EGADRP Cc1cc2ncc([C@@H](C)[NH2+]CC3CC[NH+](CC4CC4)CC3)c(C)n2n1 ZINC000658354676 462487515 /nfs/dbraw/zinc/48/75/15/462487515.db2.gz FSJWUSNWPXJDFY-OAHLLOKOSA-N 2 0 341.503 3.119 20 0 EGADRP COC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC000658357657 462488407 /nfs/dbraw/zinc/48/84/07/462488407.db2.gz VDPKEFFVOYXLBS-IBGZPJMESA-N 2 0 338.442 3.364 20 0 EGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000658357413 462488521 /nfs/dbraw/zinc/48/85/21/462488521.db2.gz ORTSHZHFFIISAV-HNNXBMFYSA-N 2 0 329.488 3.418 20 0 EGADRP c1ccc2nc(N3CC[NH+](CCCC4CC[NH2+]CC4)CC3)ccc2c1 ZINC000649411871 462502188 /nfs/dbraw/zinc/50/21/88/462502188.db2.gz KYXDRYPCQKDJHJ-UHFFFAOYSA-N 2 0 338.499 3.137 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](CCn1ccc3cc(Cl)ccc31)CCO2 ZINC000646106934 462519687 /nfs/dbraw/zinc/51/96/87/462519687.db2.gz YQRBGMJZBCCNJR-UHFFFAOYSA-N 2 0 347.890 3.091 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2c(c1)CCC2 ZINC000132859658 533810788 /nfs/dbraw/zinc/81/07/88/533810788.db2.gz BYQKNNKFKLRBTD-IRXDYDNUSA-N 2 0 328.500 3.327 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189185045 534397434 /nfs/dbraw/zinc/39/74/34/534397434.db2.gz OIBNLZUKTHQWRH-PWRODBHTSA-N 2 0 330.516 3.224 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c(C)n1 ZINC000165172964 534751162 /nfs/dbraw/zinc/75/11/62/534751162.db2.gz BLIFXDRYMIPJSA-OAHLLOKOSA-N 2 0 342.487 3.275 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)[C@H](C)C1 ZINC000154187808 527798458 /nfs/dbraw/zinc/79/84/58/527798458.db2.gz CBFMXLIUIHETSC-DGCLKSJQSA-N 2 0 331.323 3.373 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000153166761 527799946 /nfs/dbraw/zinc/79/99/46/527799946.db2.gz TUDMCRAJMUXREK-NVXWUHKLSA-N 2 0 334.504 3.301 20 0 EGADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133024799 527886756 /nfs/dbraw/zinc/88/67/56/527886756.db2.gz CQLVGNNCXHCXGG-UKAVVXHISA-N 2 0 329.532 3.359 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000164903211 528236937 /nfs/dbraw/zinc/23/69/37/528236937.db2.gz NUGCDQVEWFFLQF-ONQFOCNCSA-N 2 0 349.544 3.168 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC000178468471 528669008 /nfs/dbraw/zinc/66/90/08/528669008.db2.gz SVCTUTLUUFGRPF-UWVAXJGDSA-N 2 0 336.495 3.483 20 0 EGADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C(C)(C)O1 ZINC000132789669 529139837 /nfs/dbraw/zinc/13/98/37/529139837.db2.gz VOKPVXNTHGNCIR-LJQANCHMSA-N 2 0 346.515 3.079 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000178694508 529147954 /nfs/dbraw/zinc/14/79/54/529147954.db2.gz YTEXQLTXXRPSHJ-MSOLQXFVSA-N 2 0 340.515 3.159 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000187191526 529152714 /nfs/dbraw/zinc/15/27/14/529152714.db2.gz NWYCINIIEJPPDI-BHIFYINESA-N 2 0 341.543 3.209 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000236887000 535555914 /nfs/dbraw/zinc/55/59/14/535555914.db2.gz FLPHXPNWOSJRLU-UHFFFAOYSA-N 2 0 341.455 3.118 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000236917334 535604736 /nfs/dbraw/zinc/60/47/36/535604736.db2.gz NZAQOOMNUUESBA-QGZVFWFLSA-N 2 0 345.531 3.170 20 0 EGADRP CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000344475041 535777475 /nfs/dbraw/zinc/77/74/75/535777475.db2.gz XXRYAWWGISTUDQ-QZTJIDSGSA-N 2 0 343.515 3.227 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)C(C)C ZINC000264162892 535782133 /nfs/dbraw/zinc/78/21/33/535782133.db2.gz BRWFPWMMQQRPJC-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000166412199 535846650 /nfs/dbraw/zinc/84/66/50/535846650.db2.gz ILXXEQHSJGCWMD-QFBILLFUSA-N 2 0 331.504 3.052 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000172618735 536025806 /nfs/dbraw/zinc/02/58/06/536025806.db2.gz AYHLDAGVAHKHQX-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP Cc1cccn2cc(CC[NH2+][C@H](C)c3nc4ccccc4n3C)nc12 ZINC000091350315 546663950 /nfs/dbraw/zinc/66/39/50/546663950.db2.gz CKIWXJOFBPAPJU-OAHLLOKOSA-N 2 0 333.439 3.423 20 0 EGADRP Cc1cccn2cc(CC[NH2+][C@@H](C)c3nc4ccccc4n3C)nc12 ZINC000091350314 546664474 /nfs/dbraw/zinc/66/44/74/546664474.db2.gz CKIWXJOFBPAPJU-HNNXBMFYSA-N 2 0 333.439 3.423 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000129360979 546786888 /nfs/dbraw/zinc/78/68/88/546786888.db2.gz BKVZVJAPPAULAC-CYBMUJFWSA-N 2 0 330.394 3.448 20 0 EGADRP C[C@H](CC[N@H+](C)CCC1CCOCC1)[NH+](C)CCC1CCOCC1 ZINC000153743181 546882956 /nfs/dbraw/zinc/88/29/56/546882956.db2.gz PVUQNAXVDJPYIP-GOSISDBHSA-N 2 0 340.552 3.262 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000155108132 546899264 /nfs/dbraw/zinc/89/92/64/546899264.db2.gz VCFOCPLKCMZVDX-CJNGLKHVSA-N 2 0 339.936 3.102 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000156346259 546910647 /nfs/dbraw/zinc/91/06/47/546910647.db2.gz ACROOMZAZBOQDA-KRWDZBQOSA-N 2 0 339.483 3.481 20 0 EGADRP COc1cccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1F ZINC000192668043 547203346 /nfs/dbraw/zinc/20/33/46/547203346.db2.gz QDDMKSOHQFTJOJ-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP Cc1cccc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000280212853 547371910 /nfs/dbraw/zinc/37/19/10/547371910.db2.gz UGVIMFPZMPHORX-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339074888 547569389 /nfs/dbraw/zinc/56/93/89/547569389.db2.gz MPAKTDGQQADNSE-PMACEKPBSA-N 2 0 331.479 3.007 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC)c1 ZINC000339066102 547569499 /nfs/dbraw/zinc/56/94/99/547569499.db2.gz BCZPPUDIXCTGMZ-IRFCIJBXSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000339250082 547572474 /nfs/dbraw/zinc/57/24/74/547572474.db2.gz VRZZVISGNPJCDL-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@@H]1[NH+](CCCCC[N@@H+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000357649094 547739385 /nfs/dbraw/zinc/73/93/85/547739385.db2.gz ISUPCVNKBYYTTF-IRXDYDNUSA-N 2 0 326.525 3.155 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)CC2 ZINC000358991287 547749132 /nfs/dbraw/zinc/74/91/32/547749132.db2.gz UMEBNGWHSIWBLJ-KRWDZBQOSA-N 2 0 332.488 3.403 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385723544 547822435 /nfs/dbraw/zinc/82/24/35/547822435.db2.gz JMSHXLUYZJPBDC-LEWJYISDSA-N 2 0 340.515 3.410 20 0 EGADRP C[NH2+]CCN(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414718895 547859801 /nfs/dbraw/zinc/85/98/01/547859801.db2.gz WVONZQFMAGTRNL-UHFFFAOYSA-N 2 0 332.492 3.134 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC000414845426 547860434 /nfs/dbraw/zinc/86/04/34/547860434.db2.gz DKQXKIVYRHZHIW-OLZOCXBDSA-N 2 0 348.288 3.475 20 0 EGADRP Brc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000414839516 547860851 /nfs/dbraw/zinc/86/08/51/547860851.db2.gz XQXQEQDDWLIDPS-GFCCVEGCSA-N 2 0 334.261 3.087 20 0 EGADRP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000671497766 548299060 /nfs/dbraw/zinc/29/90/60/548299060.db2.gz YUQIWZFHOZWBPK-QMCAAQAGSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000675777434 548980040 /nfs/dbraw/zinc/98/00/40/548980040.db2.gz ULQXMNRSUQAFDN-ZDUSSCGKSA-N 2 0 330.394 3.404 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)cc1 ZINC000675876631 548995862 /nfs/dbraw/zinc/99/58/62/548995862.db2.gz YGDJCTOIJZEJOG-RBBKRZOGSA-N 2 0 343.559 3.320 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000675873468 548995877 /nfs/dbraw/zinc/99/58/77/548995877.db2.gz MGYHLJRDVVLGEB-IFXJQAMLSA-N 2 0 333.907 3.085 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000678208757 549425030 /nfs/dbraw/zinc/42/50/30/549425030.db2.gz UYPPKJOYHVOGAY-UHFFFAOYSA-N 2 0 342.487 3.249 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000678285381 549459636 /nfs/dbraw/zinc/45/96/36/549459636.db2.gz ZOFRYPIOUZXZCB-UHFFFAOYSA-N 2 0 344.503 3.133 20 0 EGADRP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719584 549547345 /nfs/dbraw/zinc/54/73/45/549547345.db2.gz NPSAYYNIFXBRQD-QFIPXVFZSA-N 2 0 343.559 3.485 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000678802839 549564549 /nfs/dbraw/zinc/56/45/49/549564549.db2.gz CWCRZSPHBPERRY-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000679188822 549653050 /nfs/dbraw/zinc/65/30/50/549653050.db2.gz CAPBPBOJQQNSKY-UXHICEINSA-N 2 0 339.483 3.141 20 0 EGADRP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326565 549688845 /nfs/dbraw/zinc/68/88/45/549688845.db2.gz YEDXQAFVJVMBPN-JLMIFGBASA-N 2 0 330.516 3.428 20 0 EGADRP COCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[C@@H](C)C1 ZINC000683001378 550176859 /nfs/dbraw/zinc/17/68/59/550176859.db2.gz UBWRKTOQQZRGAL-MJGOQNOKSA-N 2 0 334.504 3.264 20 0 EGADRP Cc1ccnc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000683010392 550178286 /nfs/dbraw/zinc/17/82/86/550178286.db2.gz ACQJKUZVZWSEPG-UHFFFAOYSA-N 2 0 344.547 3.018 20 0 EGADRP CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683722666 550254828 /nfs/dbraw/zinc/25/48/28/550254828.db2.gz SIQGOPNMGCCIER-NRFANRHFSA-N 2 0 346.515 3.288 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683774991 550260459 /nfs/dbraw/zinc/26/04/59/550260459.db2.gz PUMJGYVJKMLEKJ-QFIPXVFZSA-N 2 0 347.462 3.091 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[NH+]1CCCCCC1 ZINC000684851109 550376749 /nfs/dbraw/zinc/37/67/49/550376749.db2.gz YLUWYPNWAORLCR-MRXNPFEDSA-N 2 0 338.455 3.450 20 0 EGADRP C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457977 550419008 /nfs/dbraw/zinc/41/90/08/550419008.db2.gz VRGAQWCTNRZOCC-WOBAJENOSA-N 2 0 327.516 3.190 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000685464422 550420360 /nfs/dbraw/zinc/42/03/60/550420360.db2.gz IAVHVQKENXHLGQ-UXHICEINSA-N 2 0 346.515 3.266 20 0 EGADRP CC(C)Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000726067921 574538448 /nfs/dbraw/zinc/53/84/48/574538448.db2.gz REQRYAPEDACLSW-UHFFFAOYSA-N 2 0 330.516 3.429 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000728572145 574759119 /nfs/dbraw/zinc/75/91/19/574759119.db2.gz SKSBUSOXISOCBG-SFHVURJKSA-N 2 0 326.431 3.050 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000729312334 574837378 /nfs/dbraw/zinc/83/73/78/574837378.db2.gz WDVXBMHSAJKLTH-HXUWFJFHSA-N 2 0 343.515 3.206 20 0 EGADRP CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731675332 575196726 /nfs/dbraw/zinc/19/67/26/575196726.db2.gz QGZOBTHONJFQRM-LJQANCHMSA-N 2 0 346.515 3.237 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000732275755 575252915 /nfs/dbraw/zinc/25/29/15/575252915.db2.gz AWZDINDHPKKHMX-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccccc3C)cc2)CC1 ZINC000061070147 1291958995 /nfs/dbraw/zinc/95/89/95/1291958995.db2.gz ARGHLEBBYWDPJI-UHFFFAOYSA-N 2 0 337.511 3.422 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)ccc1C ZINC000065977181 1292102712 /nfs/dbraw/zinc/10/27/12/1292102712.db2.gz QBZDUZVIJMBUJH-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP COc1cccc2cc(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)oc21 ZINC000067452866 1292160589 /nfs/dbraw/zinc/16/05/89/1292160589.db2.gz XYVJDPFJAIPZER-IYBDPMFKSA-N 2 0 346.471 3.420 20 0 EGADRP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)C1 ZINC000827698883 1292357703 /nfs/dbraw/zinc/35/77/03/1292357703.db2.gz CGUIRHXURWEQCF-NRFANRHFSA-N 2 0 336.479 3.385 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000077506903 1292470087 /nfs/dbraw/zinc/47/00/87/1292470087.db2.gz SANCCTJQRPLPAN-GOSISDBHSA-N 2 0 345.531 3.124 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000828936824 1292518915 /nfs/dbraw/zinc/51/89/15/1292518915.db2.gz VDCHCTHHFHAPED-QLFBSQMISA-N 2 0 337.335 3.297 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1nc(Br)cs1 ZINC000834566531 1293117644 /nfs/dbraw/zinc/11/76/44/1293117644.db2.gz OCEGJJKHQFTESX-JTQLQIEISA-N 2 0 332.311 3.288 20 0 EGADRP C[N@H+](CCc1cccc(OC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000120332535 1293315949 /nfs/dbraw/zinc/31/59/49/1293315949.db2.gz NHZYMXQVISINDP-UHFFFAOYSA-N 2 0 330.394 3.401 20 0 EGADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000122009229 1293399751 /nfs/dbraw/zinc/39/97/51/1293399751.db2.gz PNHVWXKXBIADDT-HXUWFJFHSA-N 2 0 334.479 3.447 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000132073467 1293707753 /nfs/dbraw/zinc/70/77/53/1293707753.db2.gz AZTDXXDYGQOQSW-MRXNPFEDSA-N 2 0 331.529 3.265 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000136582003 1293817498 /nfs/dbraw/zinc/81/74/98/1293817498.db2.gz BLXYUVBWPRYPCD-NHCUHLMSSA-N 2 0 346.515 3.331 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3cnccn23)C1 ZINC000156613837 1294151337 /nfs/dbraw/zinc/15/13/37/1294151337.db2.gz HHYPRCHUJUCSKW-QGZVFWFLSA-N 2 0 349.482 3.251 20 0 EGADRP COCC[NH+]1CCC(NCc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000156959660 1294165020 /nfs/dbraw/zinc/16/50/20/1294165020.db2.gz INMCDRFKHXMWOJ-UHFFFAOYSA-N 2 0 347.286 3.202 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC000158735171 1294214141 /nfs/dbraw/zinc/21/41/41/1294214141.db2.gz IFOYCOKJAHRACK-KRWDZBQOSA-N 2 0 343.515 3.162 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000161368770 1294291449 /nfs/dbraw/zinc/29/14/49/1294291449.db2.gz CDQYUOFFEDHADK-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000165925068 1294360690 /nfs/dbraw/zinc/36/06/90/1294360690.db2.gz SQURNWZSXKYBFW-RBUKOAKNSA-N 2 0 329.488 3.171 20 0 EGADRP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166567934 1294362746 /nfs/dbraw/zinc/36/27/46/1294362746.db2.gz CSUDIXSQZZOJFJ-GVDBMIGSSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H](NC(=[NH2+])NCC[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000170907883 1294386603 /nfs/dbraw/zinc/38/66/03/1294386603.db2.gz AOJIUMWWKSCEEV-NSHDSACASA-N 2 0 329.275 3.055 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCn2ccnc2)ccc1OC ZINC000182217919 1295027703 /nfs/dbraw/zinc/02/77/03/1295027703.db2.gz MWJLTBSDSRGLKZ-MRXNPFEDSA-N 2 0 330.476 3.084 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2C)cc1C[NH+]1CCCCC1 ZINC000182611351 1295062998 /nfs/dbraw/zinc/06/29/98/1295062998.db2.gz BLVDGAUGRHJIFT-YLJYHZDGSA-N 2 0 345.531 3.426 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](CO)C(C)C)cc1C[NH+]1CCCCC1 ZINC000183083239 1295096155 /nfs/dbraw/zinc/09/61/55/1295096155.db2.gz VKQWVVPRPFGULT-VQIMIIECSA-N 2 0 334.504 3.349 20 0 EGADRP CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183136533 1295101516 /nfs/dbraw/zinc/10/15/16/1295101516.db2.gz SZCMNPZYESOGGR-VQIMIIECSA-N 2 0 334.504 3.493 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000870949510 1296149319 /nfs/dbraw/zinc/14/93/19/1296149319.db2.gz HNNVRHDLMOFVKO-DSJDWBEOSA-N 2 0 343.515 3.014 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccnc2C)cc1 ZINC000236884790 1296210090 /nfs/dbraw/zinc/21/00/90/1296210090.db2.gz SYISEWKTLMQRBT-UHFFFAOYSA-N 2 0 327.472 3.400 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000236973744 1296214368 /nfs/dbraw/zinc/21/43/68/1296214368.db2.gz FOXFIAVLEATDCX-SFHVURJKSA-N 2 0 341.499 3.371 20 0 EGADRP Cc1cn2c(C[NH2+]Cc3cccc(C[NH+](C)C)c3)c(C)nc2s1 ZINC000237071997 1296219513 /nfs/dbraw/zinc/21/95/13/1296219513.db2.gz KUKDMZILSWYNTP-UHFFFAOYSA-N 2 0 328.485 3.364 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247660602 1296398550 /nfs/dbraw/zinc/39/85/50/1296398550.db2.gz XWPMVRUIVVUAFG-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000871794790 1296536106 /nfs/dbraw/zinc/53/61/06/1296536106.db2.gz BGZYUJFSDBUXHC-AYHJJNSGSA-N 2 0 338.455 3.330 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262007849 1296615202 /nfs/dbraw/zinc/61/52/02/1296615202.db2.gz LZOJTVMXFGGXMQ-UHFFFAOYSA-N 2 0 344.890 3.410 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC000872123639 1296750603 /nfs/dbraw/zinc/75/06/03/1296750603.db2.gz YYZMIZGWGVUTOU-ICSRJNTNSA-N 2 0 338.499 3.161 20 0 EGADRP CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156389 1296776624 /nfs/dbraw/zinc/77/66/24/1296776624.db2.gz IVTOOUAKGARGHV-PXNSSMCTSA-N 2 0 343.515 3.166 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300367892 1296781450 /nfs/dbraw/zinc/78/14/50/1296781450.db2.gz NLMXJHULBDMERA-HOTGVXAUSA-N 2 0 327.513 3.142 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314605 1296786147 /nfs/dbraw/zinc/78/61/47/1296786147.db2.gz NNFQOWJWFMOHFH-SJORKVTESA-N 2 0 341.540 3.344 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000302117864 1296798842 /nfs/dbraw/zinc/79/88/42/1296798842.db2.gz SLFLKUXXVFPRGB-JTDSTZFVSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872280489 1296889565 /nfs/dbraw/zinc/88/95/65/1296889565.db2.gz MSRKBUBVAAJWMQ-MANSERQUSA-N 2 0 335.536 3.007 20 0 EGADRP C[C@]1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000311229008 1297105628 /nfs/dbraw/zinc/10/56/28/1297105628.db2.gz YXRQHUDEEZLLPV-FNAHDJPLSA-N 2 0 341.543 3.409 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H](n2cncn2)C1 ZINC000340260220 1297310090 /nfs/dbraw/zinc/31/00/90/1297310090.db2.gz QEBBJLVOYADVQW-MNEFBYGVSA-N 2 0 331.508 3.004 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340471525 1297313002 /nfs/dbraw/zinc/31/30/02/1297313002.db2.gz CETWIQPAEAYWQF-YRXWBPOGSA-N 2 0 333.524 3.110 20 0 EGADRP COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204351 1297351113 /nfs/dbraw/zinc/35/11/13/1297351113.db2.gz DLZOFZMTCPROJO-AWEZNQCLSA-N 2 0 330.497 3.465 20 0 EGADRP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(OC)cc1OC ZINC000873209830 1297351860 /nfs/dbraw/zinc/35/18/60/1297351860.db2.gz TWJMWBOXGYOPAY-UHFFFAOYSA-N 2 0 346.496 3.433 20 0 EGADRP CCOc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cc1OC ZINC000873232149 1297373966 /nfs/dbraw/zinc/37/39/66/1297373966.db2.gz ADDBQCRMWRXQSH-LJQANCHMSA-N 2 0 332.488 3.496 20 0 EGADRP CCN(CC)c1ncc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232323 1297375395 /nfs/dbraw/zinc/37/53/95/1297375395.db2.gz FGXQNDJXXLJSHZ-MRXNPFEDSA-N 2 0 336.549 3.391 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873233000 1297375576 /nfs/dbraw/zinc/37/55/76/1297375576.db2.gz VQORIZJZONKIMW-HOTGVXAUSA-N 2 0 335.517 3.397 20 0 EGADRP Fc1ccc(N2CCC([NH2+]C[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(F)c1 ZINC000873259350 1297392870 /nfs/dbraw/zinc/39/28/70/1297392870.db2.gz CPDNXKUUWXKEBU-AYGBPOKTSA-N 2 0 335.442 3.054 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000873258125 1297393288 /nfs/dbraw/zinc/39/32/88/1297393288.db2.gz NAGUWKBNIQNLMM-GUBZILKMSA-N 2 0 336.329 3.277 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000873259791 1297394307 /nfs/dbraw/zinc/39/43/07/1297394307.db2.gz LMICDHXLBOFARL-ZJPYXAASSA-N 2 0 329.488 3.141 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000873259913 1297395315 /nfs/dbraw/zinc/39/53/15/1297395315.db2.gz OMJJMXSRLLWSGP-NRSFXHEJSA-N 2 0 329.488 3.141 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873261944 1297397179 /nfs/dbraw/zinc/39/71/79/1297397179.db2.gz UEVQRJOZNYDNKO-KMJHBWPFSA-N 2 0 342.483 3.288 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2c(c1)CCCO2 ZINC000873292231 1297414104 /nfs/dbraw/zinc/41/41/04/1297414104.db2.gz PQONOQTZWONTDB-RBUKOAKNSA-N 2 0 344.499 3.211 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293006 1297414456 /nfs/dbraw/zinc/41/44/56/1297414456.db2.gz XCEWGCFTXKHAAF-MOPGFXCFSA-N 2 0 334.479 3.141 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293027 1297415812 /nfs/dbraw/zinc/41/58/12/1297415812.db2.gz XCEWGCFTXKHAAF-RBUKOAKNSA-N 2 0 334.479 3.141 20 0 EGADRP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000378887052 1297523664 /nfs/dbraw/zinc/52/36/64/1297523664.db2.gz MLBVQJVKKMOCCD-LJQANCHMSA-N 2 0 329.532 3.158 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000383326311 1297569913 /nfs/dbraw/zinc/56/99/13/1297569913.db2.gz CMBMZRGMDHYDJZ-PXNSSMCTSA-N 2 0 344.886 3.485 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000386011996 1297587040 /nfs/dbraw/zinc/58/70/40/1297587040.db2.gz VLKPQXCFWMIHPQ-QFBILLFUSA-N 2 0 346.421 3.110 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399092517 1297723974 /nfs/dbraw/zinc/72/39/74/1297723974.db2.gz UNKIHWRPHSMRMB-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399092509 1297724538 /nfs/dbraw/zinc/72/45/38/1297724538.db2.gz UNKIHWRPHSMRMB-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000708552619 1298243795 /nfs/dbraw/zinc/24/37/95/1298243795.db2.gz WIWTZKCGICRUDK-MAUKXSAKSA-N 2 0 328.431 3.389 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000715559601 1298279900 /nfs/dbraw/zinc/27/99/00/1298279900.db2.gz UQZPZJZPHRCFNQ-LUKYLMHMSA-N 2 0 339.524 3.285 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000715514703 1298279959 /nfs/dbraw/zinc/27/99/59/1298279959.db2.gz WKFULXUXLQKOHO-UONOGXRCSA-N 2 0 341.293 3.420 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000746363544 1298575678 /nfs/dbraw/zinc/57/56/78/1298575678.db2.gz AVXHARDLVOIYQU-OAHLLOKOSA-N 2 0 332.517 3.438 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746874468 1298677752 /nfs/dbraw/zinc/67/77/52/1298677752.db2.gz MGKKHNISKGCXSE-UHFFFAOYSA-N 2 0 335.536 3.166 20 0 EGADRP COc1cc(C[C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000877075456 1299146048 /nfs/dbraw/zinc/14/60/48/1299146048.db2.gz CPRNKVZJTWJKAP-IVMQYODDSA-N 2 0 331.504 3.408 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(O[C@@H]3CCOC3)cc1)CC2 ZINC000877684054 1299477543 /nfs/dbraw/zinc/47/75/43/1299477543.db2.gz OMHOLSKSMCJCGA-HXUWFJFHSA-N 2 0 344.499 3.162 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000877697916 1299489805 /nfs/dbraw/zinc/48/98/05/1299489805.db2.gz RVBXSOXAHZJBSK-UHFFFAOYSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@H]1COCC[N@H+](CCCCCCCC[NH+]2CCOC[C@@H](C)C2)C1 ZINC000754382193 1300133309 /nfs/dbraw/zinc/13/33/09/1300133309.db2.gz VPRKZULAWGBTET-BGYRXZFFSA-N 2 0 340.552 3.264 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)[NH+]1CCCCC1 ZINC000754869542 1300234966 /nfs/dbraw/zinc/23/49/66/1300234966.db2.gz NCGNXWOZJHIMTJ-SFHVURJKSA-N 2 0 335.467 3.336 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(-c3ccc(F)cc3)no1)CC2 ZINC000879248000 1300452570 /nfs/dbraw/zinc/45/25/70/1300452570.db2.gz YYNQGUKMMPGGQM-UHFFFAOYSA-N 2 0 344.434 3.184 20 0 EGADRP CN(C[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760837641 1301347582 /nfs/dbraw/zinc/34/75/82/1301347582.db2.gz ZUUFZNWHNNEZMB-SJORKVTESA-N 2 0 339.524 3.050 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000763409883 1301897685 /nfs/dbraw/zinc/89/76/85/1301897685.db2.gz KHOGPIHNOWTOAE-IZZBFERCSA-N 2 0 348.531 3.225 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000765750647 1302317806 /nfs/dbraw/zinc/31/78/06/1302317806.db2.gz CEVBREXAPUWFHJ-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000884218332 1302774179 /nfs/dbraw/zinc/77/41/79/1302774179.db2.gz LRGDSWCDBURQEU-HOJAQTOUSA-N 2 0 345.531 3.132 20 0 EGADRP CCc1nn(C)c(Cl)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000768927225 1303014068 /nfs/dbraw/zinc/01/40/68/1303014068.db2.gz RODWTLWSOFAXCJ-UHFFFAOYSA-N 2 0 326.916 3.188 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000769681300 1303157383 /nfs/dbraw/zinc/15/73/83/1303157383.db2.gz OJFNYICPAGIITM-SJORKVTESA-N 2 0 341.540 3.390 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000886022603 1303321976 /nfs/dbraw/zinc/32/19/76/1303321976.db2.gz GXCIRQYNHLQPEL-UIMSKZMLSA-N 2 0 332.463 3.196 20 0 EGADRP C[NH+](CC[C@@H]1CCCO1)[C@H]1CC[C@H]([N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000886389821 1303454199 /nfs/dbraw/zinc/45/41/99/1303454199.db2.gz ZAUQPYOQCAEBJL-MUGJNUQGSA-N 2 0 338.536 3.299 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000773416327 1303676499 /nfs/dbraw/zinc/67/64/99/1303676499.db2.gz PGGMKOWPQXPUHM-IBGZPJMESA-N 2 0 346.515 3.420 20 0 EGADRP CN(c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1)C1CC[NH+](C)CC1 ZINC000774280106 1303793339 /nfs/dbraw/zinc/79/33/39/1303793339.db2.gz CJGOQONSMBZUAY-PRJVBOEPSA-N 2 0 342.531 3.254 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775374905 1303948409 /nfs/dbraw/zinc/94/84/09/1303948409.db2.gz HOZMTKQJLVJWKS-WCXIOVBPSA-N 2 0 328.591 3.468 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2)cc1C[NH+]1CCCCC1 ZINC000775380495 1303951657 /nfs/dbraw/zinc/95/16/57/1303951657.db2.gz OUFYZCKFPMXUQW-VQIMIIECSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc2ccccc2[nH]1)N1CC[NH+](C)CC1 ZINC000775623261 1303996503 /nfs/dbraw/zinc/99/65/03/1303996503.db2.gz OQARAWRKGDYSTG-UZLBHIALSA-N 2 0 328.504 3.091 20 0 EGADRP Clc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000776255445 1304121968 /nfs/dbraw/zinc/12/19/68/1304121968.db2.gz XNBHEMLDDLJSKB-UHFFFAOYSA-N 2 0 345.874 3.499 20 0 EGADRP CC[NH+](CC)CCOc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000777656800 1304331053 /nfs/dbraw/zinc/33/10/53/1304331053.db2.gz LHKKGAZLGDHFCO-AEFFLSMTSA-N 2 0 349.519 3.310 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000779344900 1304560055 /nfs/dbraw/zinc/56/00/55/1304560055.db2.gz KZHFYYNIZRBXMR-OAQYLSRUSA-N 2 0 345.506 3.379 20 0 EGADRP C[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000783234765 1305068687 /nfs/dbraw/zinc/06/86/87/1305068687.db2.gz SSUGVNANLJGZKX-OXJNMPFZSA-N 2 0 332.488 3.064 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)cc1C[NH+]1CCCCC1 ZINC000783537180 1305105624 /nfs/dbraw/zinc/10/56/24/1305105624.db2.gz VRTKPHUHLDAPQK-ZACQAIPSSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786783642 1305629794 /nfs/dbraw/zinc/62/97/94/1305629794.db2.gz NBLDWOYLLQTXON-IAGOWNOFSA-N 2 0 344.503 3.131 20 0 EGADRP CCOC(CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)OCC ZINC000786971059 1305669619 /nfs/dbraw/zinc/66/96/19/1305669619.db2.gz RPTMNVWOEYORSB-WMZOPIPTSA-N 2 0 326.525 3.408 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+]CC3CC[NH+](C)CC3)cc2c(OC)c1 ZINC000893125687 1305721461 /nfs/dbraw/zinc/72/14/61/1305721461.db2.gz DRLBEWJIBIQQAM-UHFFFAOYSA-N 2 0 345.487 3.049 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+]CC2CC[NH+](C)CC2)n(-c2ccccc2)n1 ZINC000893206622 1305762444 /nfs/dbraw/zinc/76/24/44/1305762444.db2.gz RUPLKKRHLJMARN-INIZCTEOSA-N 2 0 326.488 3.043 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC[C@@H](C)O)cc1C[NH+]1CCCCC1 ZINC000788606069 1305980610 /nfs/dbraw/zinc/98/06/10/1305980610.db2.gz UZBGESCQGDSGNL-SJORKVTESA-N 2 0 334.504 3.493 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc[nH]c(=O)c1 ZINC000788828631 1306023661 /nfs/dbraw/zinc/02/36/61/1306023661.db2.gz VDQJKQPSBOXBQL-HNNXBMFYSA-N 2 0 341.455 3.111 20 0 EGADRP CC(C)CC[NH+]1CCC(Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000894569656 1308960106 /nfs/dbraw/zinc/96/01/06/1308960106.db2.gz MAQVNVMIXDLLFG-OAQYLSRUSA-N 2 0 345.531 3.176 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n(C)n1 ZINC000793529801 1309396473 /nfs/dbraw/zinc/39/64/73/1309396473.db2.gz VKIFDTRITFLCGH-OAHLLOKOSA-N 2 0 332.517 3.353 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000895799209 1309526091 /nfs/dbraw/zinc/52/60/91/1309526091.db2.gz OMGDTMHSBCMYMS-OALUTQOASA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H](CC[NH2+]CC1CCC2(CC1)OCCO2)[N@H+](C)Cc1ccccc1 ZINC000795934311 1309864930 /nfs/dbraw/zinc/86/49/30/1309864930.db2.gz IKUNASGURJRZNT-SFHVURJKSA-N 2 0 346.515 3.420 20 0 EGADRP Clc1nc2cc(Cl)ccn2c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000796267797 1309948727 /nfs/dbraw/zinc/94/87/27/1309948727.db2.gz YZRCPFZQODHLBK-CHWSQXEVSA-N 2 0 339.270 3.358 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796286127 1309952387 /nfs/dbraw/zinc/95/23/87/1309952387.db2.gz ZVJNIAXFMQQBAC-UHFFFAOYSA-N 2 0 341.286 3.463 20 0 EGADRP CCCCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796385134 1309988298 /nfs/dbraw/zinc/98/82/98/1309988298.db2.gz RYCAWEKNJTVUNF-OAQYLSRUSA-N 2 0 329.532 3.459 20 0 EGADRP CCN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000857310862 1328528294 /nfs/dbraw/zinc/52/82/94/1328528294.db2.gz JEGKOBVFCDTRJU-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP CCN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000857310861 1328528024 /nfs/dbraw/zinc/52/80/24/1328528024.db2.gz JEGKOBVFCDTRJU-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018966400 1316988338 /nfs/dbraw/zinc/98/83/38/1316988338.db2.gz HRTZRNQDPCZUTP-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001018967970 1316989065 /nfs/dbraw/zinc/98/90/65/1316989065.db2.gz NTYRLEWXXPPRBG-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001018968218 1316989170 /nfs/dbraw/zinc/98/91/70/1316989170.db2.gz YGOIRMSMOSDADA-ZWKOTPCHSA-N 2 0 349.544 3.010 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019151079 1317072636 /nfs/dbraw/zinc/07/26/36/1317072636.db2.gz HIOUKOXGINJYRX-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CCCC3CCCC3)CC2)CC1 ZINC000957034629 1317140345 /nfs/dbraw/zinc/14/03/45/1317140345.db2.gz LZBPKBMAAOAXPD-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000957278093 1317256445 /nfs/dbraw/zinc/25/64/45/1317256445.db2.gz FARRYQVHHBBJDT-MSOLQXFVSA-N 2 0 349.563 3.076 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC000957278262 1317256495 /nfs/dbraw/zinc/25/64/95/1317256495.db2.gz HPFBXWWSIXTLQZ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC000957278102 1317256990 /nfs/dbraw/zinc/25/69/90/1317256990.db2.gz FHMXJZRONFRMRI-IRXDYDNUSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001019468051 1317262937 /nfs/dbraw/zinc/26/29/37/1317262937.db2.gz FFZAKTPGWYLPDU-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1C[NH+](CC2CCCCCC2)C1 ZINC000957424531 1317349284 /nfs/dbraw/zinc/34/92/84/1317349284.db2.gz ZXCBRLBVOOVZTB-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019815474 1317438997 /nfs/dbraw/zinc/43/89/97/1317438997.db2.gz GGPGVBCSLGZLAG-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957551991 1317447789 /nfs/dbraw/zinc/44/77/89/1317447789.db2.gz CZLLXMPMKJQIIG-GUDVDZBRSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957603709 1317492823 /nfs/dbraw/zinc/49/28/23/1317492823.db2.gz VPVABFFEWKRIHC-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621057 1317501590 /nfs/dbraw/zinc/50/15/90/1317501590.db2.gz VPFATGDUPHBPGT-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP CCNc1ccccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000902134160 1317528282 /nfs/dbraw/zinc/52/82/82/1317528282.db2.gz BOAZMEONWIRAFO-UHFFFAOYSA-N 2 0 327.472 3.349 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001020154565 1317566297 /nfs/dbraw/zinc/56/62/97/1317566297.db2.gz HGOCAICPSYUHBK-WGSAOQKQSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001020156291 1317567234 /nfs/dbraw/zinc/56/72/34/1317567234.db2.gz FLKFMELLGDXGDA-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)c1ccccc1 ZINC001020174610 1317574406 /nfs/dbraw/zinc/57/44/06/1317574406.db2.gz JDQCRWNJUIVDTG-VYJAJWGXSA-N 2 0 343.515 3.105 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001020214429 1317596269 /nfs/dbraw/zinc/59/62/69/1317596269.db2.gz STMINAKGVXDRIW-FRYIKTPZSA-N 2 0 343.515 3.167 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OCC)C2)[C@@H](C)C1 ZINC000902806753 1317618512 /nfs/dbraw/zinc/61/85/12/1317618512.db2.gz NTTCPVRFCABIDW-MANSERQUSA-N 2 0 326.525 3.061 20 0 EGADRP COC(=O)c1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000902976300 1317635007 /nfs/dbraw/zinc/63/50/07/1317635007.db2.gz ODFASKFDOFTPOT-HNNXBMFYSA-N 2 0 330.472 3.307 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000957772880 1317636825 /nfs/dbraw/zinc/63/68/25/1317636825.db2.gz RKRUFGBQQOPBKE-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000957777952 1317642071 /nfs/dbraw/zinc/64/20/71/1317642071.db2.gz FLHAVQRUAHXLDI-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000957779779 1317642691 /nfs/dbraw/zinc/64/26/91/1317642691.db2.gz YNZXAPONZMJKQR-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000903050132 1317643068 /nfs/dbraw/zinc/64/30/68/1317643068.db2.gz RLKWDWKJNKRTNJ-VQTJNVASSA-N 2 0 331.504 3.231 20 0 EGADRP COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[NH+](C)C)c1 ZINC000903055655 1317643579 /nfs/dbraw/zinc/64/35/79/1317643579.db2.gz IZPYKDMBPNDSLE-VZKPYBMVSA-N 2 0 343.515 3.045 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1)[NH+]1CCCCC1 ZINC000957786299 1317644058 /nfs/dbraw/zinc/64/40/58/1317644058.db2.gz IFYPZSKXTAMJPS-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)cc1 ZINC001020335449 1317650974 /nfs/dbraw/zinc/65/09/74/1317650974.db2.gz CJZQCTSLCUSDTM-IYARVYRRSA-N 2 0 348.450 3.002 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903099041 1317653465 /nfs/dbraw/zinc/65/34/65/1317653465.db2.gz XPTFHDJRIKKPPV-ZJVRTDGDSA-N 2 0 344.499 3.255 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C2 ZINC000903115855 1317655811 /nfs/dbraw/zinc/65/58/11/1317655811.db2.gz DOORWOVDAGHMLX-LRMKFPBYSA-N 2 0 336.907 3.470 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)c1ccccc1F ZINC000903116604 1317656013 /nfs/dbraw/zinc/65/60/13/1317656013.db2.gz SFJMJYFEGFAWNL-MDMHHNQBSA-N 2 0 334.479 3.346 20 0 EGADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903118899 1317657259 /nfs/dbraw/zinc/65/72/59/1317657259.db2.gz YEFAGNPNMBERMD-UYYRZJCPSA-N 2 0 334.479 3.264 20 0 EGADRP COc1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903148189 1317663019 /nfs/dbraw/zinc/66/30/19/1317663019.db2.gz QJSCQONFXXXKRR-KOQQBVACSA-N 2 0 326.484 3.300 20 0 EGADRP CC(C)(C)OC(=O)NC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903147486 1317663140 /nfs/dbraw/zinc/66/31/40/1317663140.db2.gz JORDNLQBUMAQHF-ZXFUBFMLSA-N 2 0 349.519 3.181 20 0 EGADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000903153660 1317664224 /nfs/dbraw/zinc/66/42/24/1317664224.db2.gz UPJHWRIEOFKITG-BDWVSVIHSA-N 2 0 327.516 3.425 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903164263 1317666285 /nfs/dbraw/zinc/66/62/85/1317666285.db2.gz KHEPDRABZWHWIH-SWSHNKPGSA-N 2 0 339.527 3.256 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000903176788 1317668566 /nfs/dbraw/zinc/66/85/66/1317668566.db2.gz UMOWECMLRCDNBY-LVDPKSTMSA-N 2 0 334.426 3.483 20 0 EGADRP c1ccc(CN2CC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903204158 1317673292 /nfs/dbraw/zinc/67/32/92/1317673292.db2.gz QQJRRMRWQRVASQ-KRIYCRJKSA-N 2 0 325.500 3.008 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001020432190 1317694927 /nfs/dbraw/zinc/69/49/27/1317694927.db2.gz FJGMAMHDDVEGEV-VAMGGRTRSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H](c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903509216 1317706954 /nfs/dbraw/zinc/70/69/54/1317706954.db2.gz DPUUZZUJAIQNEW-BHYGNILZSA-N 2 0 333.907 3.302 20 0 EGADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000808719242 1317721868 /nfs/dbraw/zinc/72/18/68/1317721868.db2.gz DNLFIXAUBHHVAH-HXUWFJFHSA-N 2 0 339.483 3.498 20 0 EGADRP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903717900 1317724368 /nfs/dbraw/zinc/72/43/68/1317724368.db2.gz FOAQPEAADMZYSC-VQTJNVASSA-N 2 0 344.499 3.381 20 0 EGADRP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721895 1317725048 /nfs/dbraw/zinc/72/50/48/1317725048.db2.gz FWYFCSAGGSLFRW-MRXNPFEDSA-N 2 0 342.405 3.296 20 0 EGADRP c1ccc([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903725809 1317725927 /nfs/dbraw/zinc/72/59/27/1317725927.db2.gz HVXGVTYVEPUVFW-VQTJNVASSA-N 2 0 328.500 3.415 20 0 EGADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903755408 1317729427 /nfs/dbraw/zinc/72/94/27/1317729427.db2.gz GQNQZDPABFCICX-HOCLYGCPSA-N 2 0 349.544 3.173 20 0 EGADRP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757168 1317730466 /nfs/dbraw/zinc/73/04/66/1317730466.db2.gz YVGIQLZNOWJUCZ-AWEZNQCLSA-N 2 0 326.843 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3)C2)C1 ZINC001020500035 1317730513 /nfs/dbraw/zinc/73/05/13/1317730513.db2.gz LTMDEBDBYJMMSJ-VBSBHUPXSA-N 2 0 343.515 3.106 20 0 EGADRP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000903759883 1317730583 /nfs/dbraw/zinc/73/05/83/1317730583.db2.gz STYHHRVJUODWOG-YOEHRIQHSA-N 2 0 343.446 3.313 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001020511811 1317735106 /nfs/dbraw/zinc/73/51/06/1317735106.db2.gz FIFWKHAEXMVENK-ONSCTEFMSA-N 2 0 343.515 3.105 20 0 EGADRP Cc1ccc(C)c(NC(=O)CN2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000903814641 1317737108 /nfs/dbraw/zinc/73/71/08/1317737108.db2.gz OHNKRBXJRSGCRZ-GOSISDBHSA-N 2 0 329.488 3.225 20 0 EGADRP [NH3+]CC1([C@H]2CCCCN2C[C@@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810369 1317737128 /nfs/dbraw/zinc/73/71/28/1317737128.db2.gz BSLBECTWELWCEB-IAGOWNOFSA-N 2 0 340.870 3.496 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000903827171 1317739351 /nfs/dbraw/zinc/73/93/51/1317739351.db2.gz PRAPHMMMLGFRNL-RLLQIKCJSA-N 2 0 344.499 3.019 20 0 EGADRP Cc1ccc(C)c(C2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903875627 1317740311 /nfs/dbraw/zinc/74/03/11/1317740311.db2.gz RXNZOOSNWYDQNW-TZIWHRDSSA-N 2 0 328.500 3.251 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H]([NH3+])CC(F)F ZINC000903921112 1317749487 /nfs/dbraw/zinc/74/94/87/1317749487.db2.gz NAUHTVKNFGKBPK-YOEHRIQHSA-N 3 0 325.447 3.133 20 0 EGADRP Clc1ccccc1N1CCC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903924440 1317749807 /nfs/dbraw/zinc/74/98/07/1317749807.db2.gz CXQIAVKQSTWEIK-HMQMGEFJSA-N 2 0 333.907 3.429 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939576 1317751945 /nfs/dbraw/zinc/75/19/45/1317751945.db2.gz JOWINNCJIOHBGJ-LLVKDONJSA-N 2 0 331.382 3.140 20 0 EGADRP C[C@@]1(C[NH2+]CCCc2nc(-c3ccncc3)cs2)CCC[NH2+]C1 ZINC000904364538 1317836093 /nfs/dbraw/zinc/83/60/93/1317836093.db2.gz MRLQZZHCHDMSCO-SFHVURJKSA-N 2 0 330.501 3.117 20 0 EGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904364984 1317837159 /nfs/dbraw/zinc/83/71/59/1317837159.db2.gz UTPWMHPDGXBUMW-WMZOPIPTSA-N 2 0 332.536 3.350 20 0 EGADRP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405600 1317842988 /nfs/dbraw/zinc/84/29/88/1317842988.db2.gz KJQZMAQWCCTMDP-NSHDSACASA-N 2 0 329.307 3.342 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458985 1317850757 /nfs/dbraw/zinc/85/07/57/1317850757.db2.gz LUQAAEXBRKKYFN-UHFFFAOYSA-N 2 0 340.515 3.037 20 0 EGADRP C[C@H](CCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[NH+]1CCCCC1 ZINC000904588742 1317866518 /nfs/dbraw/zinc/86/65/18/1317866518.db2.gz WPYXFHWVXMGJCY-OAHLLOKOSA-N 2 0 332.492 3.266 20 0 EGADRP CSC1(C[NH2+][C@H]2CCc3nc(Cl)ccc32)CC[NH+](C)CC1 ZINC000810252732 1317986964 /nfs/dbraw/zinc/98/69/64/1317986964.db2.gz TXQWQHOZEHVFLU-ZDUSSCGKSA-N 2 0 325.909 3.139 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001020910432 1317994732 /nfs/dbraw/zinc/99/47/32/1317994732.db2.gz WXQDSKNRESLVFM-BZSNNMDCSA-N 2 0 349.544 3.140 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccnc(Cl)c2Cl)C[C@H](C)O1 ZINC000811476356 1318182325 /nfs/dbraw/zinc/18/23/25/1318182325.db2.gz SIFSRFOQFCAAGI-STQMWFEESA-N 2 0 346.302 3.367 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCC2)C1 ZINC001021358057 1318209314 /nfs/dbraw/zinc/20/93/14/1318209314.db2.gz XUYQFFBAYYMOMH-UMQXSMKFSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001021360218 1318210198 /nfs/dbraw/zinc/21/01/98/1318210198.db2.gz KAJZNFFRQVCKLB-WJXKREEZSA-N 2 0 349.563 3.265 20 0 EGADRP C[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)CC1 ZINC001021368090 1318214582 /nfs/dbraw/zinc/21/45/82/1318214582.db2.gz GBPTUMSCYZJKKP-IHWFROFDSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)C1 ZINC001021438256 1318250444 /nfs/dbraw/zinc/25/04/44/1318250444.db2.gz RHJVNOBTDNWUES-XUBOLADHSA-N 2 0 347.547 3.020 20 0 EGADRP COc1ccc2c(NCC3(SC)CC[NH+](C)CC3)cc[nH+]c2c1 ZINC000811854109 1318279306 /nfs/dbraw/zinc/27/93/06/1318279306.db2.gz RKQWAOZTNHMFNQ-UHFFFAOYSA-N 2 0 331.485 3.483 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C)[NH+](C)C ZINC000960045072 1318327765 /nfs/dbraw/zinc/32/77/65/1318327765.db2.gz WYOVULLGKLHJJW-CMKODMSKSA-N 2 0 345.531 3.367 20 0 EGADRP C[C@@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[NH+]1CCCCCC1 ZINC000908502886 1318357727 /nfs/dbraw/zinc/35/77/27/1318357727.db2.gz RDGGKSXLYRFZHR-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001021906254 1318727748 /nfs/dbraw/zinc/72/77/48/1318727748.db2.gz JIPDDNVXYCAXOF-XWTMOSNGSA-N 2 0 349.906 3.122 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960679788 1318789001 /nfs/dbraw/zinc/78/90/01/1318789001.db2.gz FZBORUMNNDIWQF-QZTJIDSGSA-N 2 0 349.544 3.045 20 0 EGADRP C[N@H+](CC1CCC1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960685802 1318791928 /nfs/dbraw/zinc/79/19/28/1318791928.db2.gz WFYXYYQEHNJJQQ-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001022166444 1318825872 /nfs/dbraw/zinc/82/58/72/1318825872.db2.gz VYJMSYVKZPBKSI-XSYGEPLQSA-N 2 0 343.515 3.167 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC000960731466 1318833572 /nfs/dbraw/zinc/83/35/72/1318833572.db2.gz UXETVNZOQMMIIZ-IBGZPJMESA-N 2 0 345.531 3.038 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cc1C[NH+]1CCCCC1 ZINC000858545596 1328792187 /nfs/dbraw/zinc/79/21/87/1328792187.db2.gz SBLOVBZXJCJVAX-MDZRGWNJSA-N 2 0 332.488 3.103 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001022535412 1318980086 /nfs/dbraw/zinc/98/00/86/1318980086.db2.gz IVPZPJDEIHVTOO-HCXYKTFWSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001022601157 1319009714 /nfs/dbraw/zinc/00/97/14/1319009714.db2.gz FIFWKHAEXMVENK-AEEMCCEDSA-N 2 0 343.515 3.105 20 0 EGADRP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)n1ccnc1 ZINC000960905025 1319046006 /nfs/dbraw/zinc/04/60/06/1319046006.db2.gz UUJNNUMVEAMIHE-FUHWJXTLSA-N 2 0 346.519 3.193 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)c1cccc(Cl)c1 ZINC001022711886 1319078644 /nfs/dbraw/zinc/07/86/44/1319078644.db2.gz FOXZIQOEFMWLOQ-NONVJHHQSA-N 2 0 349.906 3.122 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001022804915 1319117849 /nfs/dbraw/zinc/11/78/49/1319117849.db2.gz SLOVGDMWDWWINM-QRQLOZEOSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1)[NH+]1CCCCCC1 ZINC001022804401 1319117990 /nfs/dbraw/zinc/11/79/90/1319117990.db2.gz MSTURLSVGCOOGA-KVPLUYHFSA-N 2 0 343.515 3.249 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022807260 1319119018 /nfs/dbraw/zinc/11/90/18/1319119018.db2.gz GKTGHPHPDFVWIM-FFGOWVMKSA-N 2 0 343.515 3.247 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022807263 1319119112 /nfs/dbraw/zinc/11/91/12/1319119112.db2.gz GKTGHPHPDFVWIM-RSPOEFSDSA-N 2 0 343.515 3.247 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022807735 1319119252 /nfs/dbraw/zinc/11/92/52/1319119252.db2.gz MNANXXGIIBPDGN-HSALFYBXSA-N 2 0 349.563 3.457 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001022838468 1319132693 /nfs/dbraw/zinc/13/26/93/1319132693.db2.gz PEWJCOVMZPRDHW-WCIQWLHISA-N 2 0 345.531 3.131 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC000961029985 1319154239 /nfs/dbraw/zinc/15/42/39/1319154239.db2.gz ANNAWPDKJUDLLD-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC000961029978 1319154271 /nfs/dbraw/zinc/15/42/71/1319154271.db2.gz ANNAWPDKJUDLLD-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001023084497 1319255944 /nfs/dbraw/zinc/25/59/44/1319255944.db2.gz QQBPTJGRGVVWAS-MVJPYGJCSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@@H]1C[NH3+] ZINC000817879638 1319449703 /nfs/dbraw/zinc/44/97/03/1319449703.db2.gz DNEHILRJOLKCDL-GLJUWKHASA-N 2 0 340.467 3.087 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000817894280 1319453299 /nfs/dbraw/zinc/45/32/99/1319453299.db2.gz CTSVHXMWXBBXRX-QEEHTWDDSA-N 2 0 330.472 3.036 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000817890799 1319453479 /nfs/dbraw/zinc/45/34/79/1319453479.db2.gz ZJPJBRUXBVVGAH-QMCVQRASSA-N 2 0 342.405 3.249 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000817923187 1319461240 /nfs/dbraw/zinc/46/12/40/1319461240.db2.gz TZDCJWDNXXSKDE-MKXGPGLRSA-N 2 0 336.907 3.448 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000817923185 1319461543 /nfs/dbraw/zinc/46/15/43/1319461543.db2.gz TZDCJWDNXXSKDE-MANSERQUSA-N 2 0 336.907 3.448 20 0 EGADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000817923565 1319461796 /nfs/dbraw/zinc/46/17/96/1319461796.db2.gz ZCSFPKQUMDLGTC-ULKVZQIESA-N 2 0 342.483 3.036 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817928275 1319462926 /nfs/dbraw/zinc/46/29/26/1319462926.db2.gz ZKYJMDZSEVFARU-JLZZUVOBSA-N 2 0 328.859 3.413 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CCCCC2=O)cc1 ZINC000817930527 1319464470 /nfs/dbraw/zinc/46/44/70/1319464470.db2.gz DXTSBQVPEFLDHA-QTXGHNMQSA-N 2 0 327.472 3.137 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817930375 1319465063 /nfs/dbraw/zinc/46/50/63/1319465063.db2.gz BWSADAPHTCVGLA-HOTGVXAUSA-N 2 0 326.440 3.259 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1(Cl)Cl ZINC000817935308 1319465076 /nfs/dbraw/zinc/46/50/76/1319465076.db2.gz BSPTWWDLEHRQNW-FVQBIDKESA-N 2 0 341.282 3.416 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023365279 1319476079 /nfs/dbraw/zinc/47/60/79/1319476079.db2.gz BHNKVFGLZGMWJU-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023364622 1319477144 /nfs/dbraw/zinc/47/71/44/1319477144.db2.gz NBGHBSUIAXODLV-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(N2CCCOC2=O)cc1 ZINC000817960939 1319478428 /nfs/dbraw/zinc/47/84/28/1319478428.db2.gz SGURDSTZOYNVSD-YXJHDRRASA-N 2 0 331.460 3.201 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817961044 1319478488 /nfs/dbraw/zinc/47/84/88/1319478488.db2.gz TWMUYVXJHPWRMU-LTIDMASMSA-N 2 0 339.524 3.272 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414262 1319517803 /nfs/dbraw/zinc/51/78/03/1319517803.db2.gz PAIGJXDMBZHGGO-QUCCMNQESA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961373585 1319529673 /nfs/dbraw/zinc/52/96/73/1319529673.db2.gz HZGSPLLBTNCEQL-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccc2c(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)oc2c1C ZINC000818341214 1319530371 /nfs/dbraw/zinc/53/03/71/1319530371.db2.gz WYQMTGLLOIZLFK-HNNXBMFYSA-N 2 0 340.467 3.374 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001023446567 1319545962 /nfs/dbraw/zinc/54/59/62/1319545962.db2.gz RXPOOUATZUBHKU-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961410820 1319567541 /nfs/dbraw/zinc/56/75/41/1319567541.db2.gz JKQAAMZLNIDDTG-AZUAARDMSA-N 2 0 349.563 3.077 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(F)c1 ZINC000818954463 1319587977 /nfs/dbraw/zinc/58/79/77/1319587977.db2.gz VVTFKYPBQSCVFH-HXUWFJFHSA-N 2 0 328.431 3.245 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818961222 1319591652 /nfs/dbraw/zinc/59/16/52/1319591652.db2.gz OJPBNZFJZPRZLD-IIDMSEBBSA-N 2 0 340.458 3.346 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818961226 1319592030 /nfs/dbraw/zinc/59/20/30/1319592030.db2.gz OJPBNZFJZPRZLD-RVKKMQEKSA-N 2 0 340.458 3.346 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818962582 1319593429 /nfs/dbraw/zinc/59/34/29/1319593429.db2.gz TVQSXLPGVJRKDE-HXUWFJFHSA-N 2 0 330.447 3.489 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000818970680 1319597698 /nfs/dbraw/zinc/59/76/98/1319597698.db2.gz XUADIMKTYOQNAN-SUMWQHHRSA-N 2 0 328.859 3.224 20 0 EGADRP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000819205529 1319667824 /nfs/dbraw/zinc/66/78/24/1319667824.db2.gz JHSYQFIWTRXJRN-LJQANCHMSA-N 2 0 345.874 3.275 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CCCC1 ZINC000819226090 1319674815 /nfs/dbraw/zinc/67/48/15/1319674815.db2.gz AACMHWBXXDEAOQ-INIZCTEOSA-N 2 0 344.421 3.450 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000819269025 1319684069 /nfs/dbraw/zinc/68/40/69/1319684069.db2.gz ZEDKOKLTCHGRAI-QGZVFWFLSA-N 2 0 342.405 3.203 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000961993597 1319795322 /nfs/dbraw/zinc/79/53/22/1319795322.db2.gz QELWBTJVUVUXQS-CTWPCTMYSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763643 1319910281 /nfs/dbraw/zinc/91/02/81/1319910281.db2.gz VQWIWDKZTBYVKY-GOSISDBHSA-N 2 0 343.515 3.156 20 0 EGADRP COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000820806358 1319955079 /nfs/dbraw/zinc/95/50/79/1319955079.db2.gz GBQSPTVGGIPQHW-YWZLYKJASA-N 2 0 328.456 3.141 20 0 EGADRP CC1CC[NH+](CC(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)CC1 ZINC000962456977 1319968814 /nfs/dbraw/zinc/96/88/14/1319968814.db2.gz QEZAOOWOVDAEKB-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CN(C)c1ncc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c2ccccc21 ZINC000930461739 1328863153 /nfs/dbraw/zinc/86/31/53/1328863153.db2.gz ZVTNGVAHBPJJIS-JWTNVVGKSA-N 2 0 338.499 3.358 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000823437635 1320179704 /nfs/dbraw/zinc/17/97/04/1320179704.db2.gz PBVKSJZHNOYMGP-KRWDZBQOSA-N 2 0 341.540 3.057 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000930574876 1328901839 /nfs/dbraw/zinc/90/18/39/1328901839.db2.gz QHJXEHFKFPSJEG-LJQANCHMSA-N 2 0 329.488 3.136 20 0 EGADRP Cc1nn2c(C[NH2+]Cc3ccc(CC[NH3+])cc3)c(C(C)C)nc2s1 ZINC000841032828 1321204739 /nfs/dbraw/zinc/20/47/39/1321204739.db2.gz ZNBTZKXZARPZGH-UHFFFAOYSA-N 2 0 343.500 3.014 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@@H](C)CC[NH3+] ZINC000841051561 1321209729 /nfs/dbraw/zinc/20/97/29/1321209729.db2.gz QFVJVSWJQMMSHV-NSHDSACASA-N 2 0 341.286 3.374 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000841084107 1321216158 /nfs/dbraw/zinc/21/61/58/1321216158.db2.gz GISHKJBBIFVDNV-DLBZAZTESA-N 2 0 346.906 3.419 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000841433655 1321271610 /nfs/dbraw/zinc/27/16/10/1321271610.db2.gz XOXOULWJXGKXLB-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2)cc1 ZINC000859215181 1328948030 /nfs/dbraw/zinc/94/80/30/1328948030.db2.gz XMBYIXITQASKSX-UHFFFAOYSA-N 2 0 325.456 3.209 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474692 1321393310 /nfs/dbraw/zinc/39/33/10/1321393310.db2.gz WUDSIEGLSACBAB-QFBILLFUSA-N 2 0 340.467 3.319 20 0 EGADRP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000842472416 1321393658 /nfs/dbraw/zinc/39/36/58/1321393658.db2.gz YALRFQPGRFIYTE-HNAYVOBHSA-N 2 0 336.907 3.475 20 0 EGADRP COc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1OCC(F)(F)F ZINC000843055102 1321462992 /nfs/dbraw/zinc/46/29/92/1321462992.db2.gz RABAZKRTZXWTHN-UHFFFAOYSA-N 2 0 346.393 3.338 20 0 EGADRP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1CCC([NH3+])CC1 ZINC000843054791 1321463013 /nfs/dbraw/zinc/46/30/13/1321463013.db2.gz IAZBYPURAHCNSD-UHFFFAOYSA-N 2 0 325.456 3.362 20 0 EGADRP O[C@H](C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000843064512 1321464713 /nfs/dbraw/zinc/46/47/13/1321464713.db2.gz GZHHYVMMUVXINQ-PKOBYXMFSA-N 2 0 330.497 3.283 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843112652 1321472732 /nfs/dbraw/zinc/47/27/32/1321472732.db2.gz KUDVLGJELBMJPJ-OAHLLOKOSA-N 2 0 332.879 3.395 20 0 EGADRP CCOc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1OC(=O)CC ZINC000843123484 1321473345 /nfs/dbraw/zinc/47/33/45/1321473345.db2.gz KLOGVFQFHMBYKW-INIZCTEOSA-N 2 0 334.460 3.104 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000843339797 1321502037 /nfs/dbraw/zinc/50/20/37/1321502037.db2.gz DGPUHJSZWZEUFO-DDFXLWFNSA-N 2 0 329.271 3.005 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000843339984 1321502222 /nfs/dbraw/zinc/50/22/22/1321502222.db2.gz GLSWJYCIOKDWBC-UUIJZJDISA-N 2 0 329.271 3.005 20 0 EGADRP C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CCC([NH3+])CC1 ZINC000843355481 1321504843 /nfs/dbraw/zinc/50/48/43/1321504843.db2.gz RJTRMNYOXXEFGD-UHFFFAOYSA-N 2 0 329.488 3.014 20 0 EGADRP CCC[N@H+](Cc1cc(=O)oc2cc(CC)ccc12)C1CC[NH2+]CC1 ZINC000843360926 1321505928 /nfs/dbraw/zinc/50/59/28/1321505928.db2.gz YFAZVMJSYANDFD-UHFFFAOYSA-N 2 0 328.456 3.319 20 0 EGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000843385613 1321509859 /nfs/dbraw/zinc/50/98/59/1321509859.db2.gz AOLCTUJBLDCPTR-UHFFFAOYSA-N 2 0 349.478 3.368 20 0 EGADRP c1ccc(COC2CC([N@@H+]3CCCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000930806841 1328976282 /nfs/dbraw/zinc/97/62/82/1328976282.db2.gz ZACNACFOCDKESQ-UHFFFAOYSA-N 2 0 337.467 3.342 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845950185 1321757989 /nfs/dbraw/zinc/75/79/89/1321757989.db2.gz AYKNJZXQPTVATE-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP CC[C@H](C)[N@H+](CCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000846218422 1321777759 /nfs/dbraw/zinc/77/77/59/1321777759.db2.gz UQMAFPDJSVJDNP-HNNXBMFYSA-N 2 0 330.476 3.455 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cc(=O)oc2c1 ZINC000846226429 1321778036 /nfs/dbraw/zinc/77/80/36/1321778036.db2.gz NASNLVGFJKBLMH-KBXCAEBGSA-N 2 0 328.456 3.305 20 0 EGADRP CC(C)[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCCCC1 ZINC000849054953 1322060445 /nfs/dbraw/zinc/06/04/45/1322060445.db2.gz IMQQUGIAYIPSFE-IBGZPJMESA-N 2 0 330.520 3.244 20 0 EGADRP C[C@H]1CCCN(C(=[NH2+])NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000849055066 1322060628 /nfs/dbraw/zinc/06/06/28/1322060628.db2.gz SBGPZFKLONBHJR-KRWDZBQOSA-N 2 0 328.504 3.429 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000849064517 1322063973 /nfs/dbraw/zinc/06/39/73/1322063973.db2.gz IKOYIJIDRFSTJN-CALCHBBNSA-N 2 0 330.520 3.100 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000849065632 1322064201 /nfs/dbraw/zinc/06/42/01/1322064201.db2.gz NUNFSFAZAMERNU-HOTGVXAUSA-N 2 0 346.519 3.066 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc2ccccc12 ZINC000849071895 1322066600 /nfs/dbraw/zinc/06/66/00/1322066600.db2.gz OJVUWAXPFBOSNW-OAHLLOKOSA-N 2 0 330.501 3.042 20 0 EGADRP C[C@]1(CNC(=[NH2+])N2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000849076349 1322067895 /nfs/dbraw/zinc/06/78/95/1322067895.db2.gz YSSIWGHDOPVEHF-HXUWFJFHSA-N 2 0 328.504 3.299 20 0 EGADRP C[C@@H]1CC[C@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849093995 1322076646 /nfs/dbraw/zinc/07/66/46/1322076646.db2.gz SIKPDBJBKUMMRC-AEFFLSMTSA-N 2 0 328.504 3.201 20 0 EGADRP Cc1nc(C)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000850362978 1322234887 /nfs/dbraw/zinc/23/48/87/1322234887.db2.gz XMLOPLBVCQUDKS-UHFFFAOYSA-N 2 0 330.501 3.157 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850464351 1322252909 /nfs/dbraw/zinc/25/29/09/1322252909.db2.gz GHHWKRLAWYLFNA-DLBZAZTESA-N 2 0 332.488 3.163 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000921819408 1322405165 /nfs/dbraw/zinc/40/51/65/1322405165.db2.gz ZEFIZHXZKSABPO-AZUAARDMSA-N 2 0 348.556 3.407 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000921857826 1322413103 /nfs/dbraw/zinc/41/31/03/1322413103.db2.gz BCYSTLNAHDKLIC-MHORFTMASA-N 2 0 326.550 3.018 20 0 EGADRP COc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000921960535 1322430546 /nfs/dbraw/zinc/43/05/46/1322430546.db2.gz HHBMGIJWNSZFNU-UHFFFAOYSA-N 2 0 325.456 3.405 20 0 EGADRP Cn1ccc(-c2nc(C[NH2+]C3CCC(C)([NH+]4CCC4)CC3)cs2)n1 ZINC000922847228 1322631535 /nfs/dbraw/zinc/63/15/35/1322631535.db2.gz XEUXTGWJPCYWFL-UHFFFAOYSA-N 2 0 345.516 3.040 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363161 1322740775 /nfs/dbraw/zinc/74/07/75/1322740775.db2.gz VQURJSJLCMUALB-FDFHNCONSA-N 2 0 338.495 3.065 20 0 EGADRP O[C@@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923364056 1322740818 /nfs/dbraw/zinc/74/08/18/1322740818.db2.gz GMHIAMVMPCUGOV-FCHUYYIVSA-N 2 0 338.495 3.207 20 0 EGADRP Cc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506975 1322765126 /nfs/dbraw/zinc/76/51/26/1322765126.db2.gz IEFRSZDFRYCGPP-QGZVFWFLSA-N 2 0 329.488 3.035 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023892190 1323008314 /nfs/dbraw/zinc/00/83/14/1323008314.db2.gz XXKXUCLMSGAZQC-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000924570532 1323057742 /nfs/dbraw/zinc/05/77/42/1323057742.db2.gz OZSROOWPMJJQRJ-FZKQIMNGSA-N 2 0 349.494 3.290 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001023984727 1323065358 /nfs/dbraw/zinc/06/53/58/1323065358.db2.gz JKBNEPSMAWYFMQ-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024009981 1323078254 /nfs/dbraw/zinc/07/82/54/1323078254.db2.gz COPRXGFVPOTJBL-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001024017967 1323080338 /nfs/dbraw/zinc/08/03/38/1323080338.db2.gz ZHFLJMYZQBSDDZ-MSOLQXFVSA-N 2 0 343.515 3.060 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001024018082 1323080779 /nfs/dbraw/zinc/08/07/79/1323080779.db2.gz KEEHVMKAXMTBCI-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(-c2ccccc2)no1 ZINC000924637849 1323087629 /nfs/dbraw/zinc/08/76/29/1323087629.db2.gz VEMQGHXGPUFFOF-INIZCTEOSA-N 2 0 342.487 3.018 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924684665 1323112744 /nfs/dbraw/zinc/11/27/44/1323112744.db2.gz MDPWFXKSQDCNIU-YHELAOLJSA-N 2 0 346.563 3.479 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000852008197 1323131141 /nfs/dbraw/zinc/13/11/41/1323131141.db2.gz URZUVJAWFMFOBA-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924779508 1323159437 /nfs/dbraw/zinc/15/94/37/1323159437.db2.gz QMBDFPLPLBGHSU-YLJYHZDGSA-N 2 0 342.483 3.147 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024157320 1323179804 /nfs/dbraw/zinc/17/98/04/1323179804.db2.gz ZBNHLBZCHVVUIN-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ncco3)CC2)cc1 ZINC000924855049 1323188987 /nfs/dbraw/zinc/18/89/87/1323188987.db2.gz HWXMRYPKGSEHIM-OAHLLOKOSA-N 2 0 329.444 3.246 20 0 EGADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924952246 1323225550 /nfs/dbraw/zinc/22/55/50/1323225550.db2.gz WRGDFQRIBCAJPS-WBVHZDCISA-N 2 0 338.927 3.049 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278909 1323256295 /nfs/dbraw/zinc/25/62/95/1323256295.db2.gz UCBXUXFEQMIDQN-HXUWFJFHSA-N 2 0 349.563 3.271 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278233 1323257212 /nfs/dbraw/zinc/25/72/12/1323257212.db2.gz HQDJBHMFECRPEH-HXUWFJFHSA-N 2 0 347.547 3.191 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc3c2OCO3)[C@@H](C)C1 ZINC000925077387 1323269223 /nfs/dbraw/zinc/26/92/23/1323269223.db2.gz GZBDCHFXBVRKRI-BQFCYCMXSA-N 2 0 348.487 3.203 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853100189 1323281481 /nfs/dbraw/zinc/28/14/81/1323281481.db2.gz ZJKKELLLFRLUKF-DYESRHJHSA-N 2 0 339.483 3.279 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024436643 1323395014 /nfs/dbraw/zinc/39/50/14/1323395014.db2.gz GIILTAKNXAGHQU-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439534 1323402160 /nfs/dbraw/zinc/40/21/60/1323402160.db2.gz BIWFJZSYWFADCA-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618862 1323547601 /nfs/dbraw/zinc/54/76/01/1323547601.db2.gz ZDXMJMDQWUFUPJ-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811556 1323713538 /nfs/dbraw/zinc/71/35/38/1323713538.db2.gz UWSAADVITNDOAM-LPHOPBHVSA-N 2 0 349.494 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001024979673 1323810929 /nfs/dbraw/zinc/81/09/29/1323810929.db2.gz VOMDTLYXKWTTQY-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024979153 1323810976 /nfs/dbraw/zinc/81/09/76/1323810976.db2.gz MOXWZCLMCKXQEH-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001024992215 1323815235 /nfs/dbraw/zinc/81/52/35/1323815235.db2.gz PFZVCQNCHWAUCV-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001025056634 1323861023 /nfs/dbraw/zinc/86/10/23/1323861023.db2.gz QFINVLWBQWJFDT-RBUKOAKNSA-N 2 0 335.536 3.163 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3cncc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000931435433 1329116957 /nfs/dbraw/zinc/11/69/57/1329116957.db2.gz AZCWYECYKSSGMJ-UXHICEINSA-N 2 0 337.467 3.044 20 0 EGADRP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435004 1329116987 /nfs/dbraw/zinc/11/69/87/1329116987.db2.gz DLMRBQZOLDXCPL-AEGPPILISA-N 2 0 346.862 3.335 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001025073677 1323875258 /nfs/dbraw/zinc/87/52/58/1323875258.db2.gz PFZVCQNCHWAUCV-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CCOc1ccc(-c2nc(CN3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)co2)cc1 ZINC000931440209 1329118468 /nfs/dbraw/zinc/11/84/68/1329118468.db2.gz RGWVEKICFGEUAW-DLBZAZTESA-N 2 0 341.455 3.124 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001025085902 1323886476 /nfs/dbraw/zinc/88/64/76/1323886476.db2.gz XEVPIQVJEHGDSL-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025168593 1323937976 /nfs/dbraw/zinc/93/79/76/1323937976.db2.gz NXKAXPLZMJECEJ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025250727 1324052629 /nfs/dbraw/zinc/05/26/29/1324052629.db2.gz DOCKTEXFQHQMIE-OALUTQOASA-N 2 0 340.471 3.203 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001025295675 1324126574 /nfs/dbraw/zinc/12/65/74/1324126574.db2.gz QAJGRPSYOYHGGN-WOJBJXKFSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585282 1324427822 /nfs/dbraw/zinc/42/78/22/1324427822.db2.gz NXHHATIDWYAAAE-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629658 1324480736 /nfs/dbraw/zinc/48/07/36/1324480736.db2.gz IOCSIYCLWJRCGL-MSOLQXFVSA-N 2 0 345.531 3.235 20 0 EGADRP COc1cccc([C@H](O)C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000860144351 1329157798 /nfs/dbraw/zinc/15/77/98/1329157798.db2.gz XACHRQJYYONJMZ-TZIWHRDSSA-N 2 0 346.515 3.315 20 0 EGADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000931723250 1329171617 /nfs/dbraw/zinc/17/16/17/1329171617.db2.gz QEBJPLRRBDOCIU-ZWKOTPCHSA-N 2 0 337.467 3.337 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494412 1324847870 /nfs/dbraw/zinc/84/78/70/1324847870.db2.gz NSWXKNOEHYNGNB-LMDPOFIKSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001026549577 1324886506 /nfs/dbraw/zinc/88/65/06/1324886506.db2.gz XITVIPFOEUMVBQ-YUKKFIBKSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001026576229 1324907471 /nfs/dbraw/zinc/90/74/71/1324907471.db2.gz YMOONLOKRRVXEW-UHFFFAOYSA-N 2 0 331.504 3.035 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026606850 1324927478 /nfs/dbraw/zinc/92/74/78/1324927478.db2.gz YTJTUXUTMQSWCF-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@@H]([NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001026605767 1324927709 /nfs/dbraw/zinc/92/77/09/1324927709.db2.gz ASMGRYJQNZOGFS-SOAGJPPSSA-N 2 0 343.515 3.251 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000853131336 1325054042 /nfs/dbraw/zinc/05/40/42/1325054042.db2.gz FJJVIAUXEODMDI-GOSISDBHSA-N 2 0 340.870 3.224 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001026887839 1325062349 /nfs/dbraw/zinc/06/23/49/1325062349.db2.gz WIOSFQOUATVZKT-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315765 1325099439 /nfs/dbraw/zinc/09/94/39/1325099439.db2.gz YGFYWPITURMRIO-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001026957236 1325104904 /nfs/dbraw/zinc/10/49/04/1325104904.db2.gz DHKNBPXMMPPYJK-SJORKVTESA-N 2 0 348.450 3.147 20 0 EGADRP Fc1ccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925482826 1325169558 /nfs/dbraw/zinc/16/95/58/1325169558.db2.gz YAGPFPIFNUDCQB-IBGZPJMESA-N 2 0 331.479 3.054 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000925482138 1325170182 /nfs/dbraw/zinc/17/01/82/1325170182.db2.gz LSIJSNZYQOSHCA-VQTJNVASSA-N 2 0 329.463 3.498 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)N(C)C)c1 ZINC000925493048 1325175090 /nfs/dbraw/zinc/17/50/90/1325175090.db2.gz JQWVAWCYYZGGHO-RTWAWAEBSA-N 2 0 341.499 3.368 20 0 EGADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)Oc1cccc(C)c1 ZINC000925499196 1325179357 /nfs/dbraw/zinc/17/93/57/1325179357.db2.gz MVJRAHYUONATSI-RAFMOHDBSA-N 2 0 346.515 3.384 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000925534453 1325196873 /nfs/dbraw/zinc/19/68/73/1325196873.db2.gz MQGQYLGYRPKFAI-JHXCCQHYSA-N 2 0 333.545 3.066 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001027062931 1325199973 /nfs/dbraw/zinc/19/99/73/1325199973.db2.gz FGWQUWAEHNGLQB-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925559345 1325208182 /nfs/dbraw/zinc/20/81/82/1325208182.db2.gz TXVFDKRXYPQXLX-JLSDUUJJSA-N 2 0 333.907 3.334 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925566750 1325213989 /nfs/dbraw/zinc/21/39/89/1325213989.db2.gz FWWTUTNHIGYULU-WOJBJXKFSA-N 2 0 342.483 3.113 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1 ZINC000925575316 1325216539 /nfs/dbraw/zinc/21/65/39/1325216539.db2.gz ZXYFOTQJXWASLO-GOSISDBHSA-N 2 0 341.503 3.007 20 0 EGADRP CCNC(=O)c1cccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925586899 1325222227 /nfs/dbraw/zinc/22/22/27/1325222227.db2.gz VJDFCWUGRAFHGF-IBGZPJMESA-N 2 0 325.456 3.006 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000925598543 1325227120 /nfs/dbraw/zinc/22/71/20/1325227120.db2.gz LXEGOYBKSOQNIL-JOUKPKRSSA-N 2 0 342.512 3.243 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000925596628 1325227554 /nfs/dbraw/zinc/22/75/54/1325227554.db2.gz KCWUSNDJUVOBJH-IHXNAJNRSA-N 2 0 346.862 3.038 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(c3ccc(F)c(Cl)c3)C1)[NH2+]2 ZINC000925628812 1325237265 /nfs/dbraw/zinc/23/72/65/1325237265.db2.gz JOZMGJUPJQWUEV-KIHUKQFUSA-N 2 0 337.870 3.176 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925629066 1325238180 /nfs/dbraw/zinc/23/81/80/1325238180.db2.gz LFWVNXDRCAAEIU-OAHLLOKOSA-N 2 0 328.504 3.457 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000963434054 1325242899 /nfs/dbraw/zinc/24/28/99/1325242899.db2.gz UCNIALPBAMYAIX-ACBHZAAOSA-N 2 0 335.536 3.019 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1 ZINC000925676498 1325259547 /nfs/dbraw/zinc/25/95/47/1325259547.db2.gz NEQREGXVZIGWNC-FUHWJXTLSA-N 2 0 341.430 3.001 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000925774345 1325293290 /nfs/dbraw/zinc/29/32/90/1325293290.db2.gz UQISOBFJULJTAP-RRQGHBQHSA-N 2 0 343.298 3.283 20 0 EGADRP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)n1 ZINC000925874459 1325338200 /nfs/dbraw/zinc/33/82/00/1325338200.db2.gz ZNAABCOYKYXEMF-QZWWFDLISA-N 2 0 332.492 3.026 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926148505 1325448046 /nfs/dbraw/zinc/44/80/46/1325448046.db2.gz RPUNKBZAKDKMEC-UWJYYQICSA-N 2 0 326.484 3.393 20 0 EGADRP CC1([NH+]2CCCC2)CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000926165281 1325453146 /nfs/dbraw/zinc/45/31/46/1325453146.db2.gz QBGXUTVZPLMEPR-UHFFFAOYSA-N 2 0 342.487 3.208 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000926202093 1325467847 /nfs/dbraw/zinc/46/78/47/1325467847.db2.gz REJSOZPYUWEHSA-JKSUJKDBSA-N 2 0 329.488 3.418 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027334225 1325494278 /nfs/dbraw/zinc/49/42/78/1325494278.db2.gz KSGNVLZPGZBJSS-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP COc1ccnc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000926325387 1325516319 /nfs/dbraw/zinc/51/63/19/1325516319.db2.gz LRQOYLRYKCIESO-WMZOPIPTSA-N 2 0 325.456 3.263 20 0 EGADRP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)[C@H](O)c1ccccc1 ZINC000926330126 1325518710 /nfs/dbraw/zinc/51/87/10/1325518710.db2.gz CWXBKZXIEDFFNO-KKURMSBHSA-N 2 0 346.515 3.120 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000964437058 1325525056 /nfs/dbraw/zinc/52/50/56/1325525056.db2.gz KEZKXEYWLYCBBZ-ACBHZAAOSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857132262 1325578033 /nfs/dbraw/zinc/57/80/33/1325578033.db2.gz ZIJLMFSAUVYKOA-WOJBJXKFSA-N 2 0 343.515 3.100 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857147071 1325582376 /nfs/dbraw/zinc/58/23/76/1325582376.db2.gz XYTYYBPHCHNGGZ-XUVXKRRUSA-N 2 0 343.515 3.098 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC000926530986 1325587379 /nfs/dbraw/zinc/58/73/79/1325587379.db2.gz DOOGKBLIKVQTMF-PMACEKPBSA-N 2 0 331.504 3.402 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027429943 1327670529 /nfs/dbraw/zinc/67/05/29/1327670529.db2.gz JZQWVHSSEQKDSQ-MRXNPFEDSA-N 2 0 337.533 3.002 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027438858 1327678625 /nfs/dbraw/zinc/67/86/25/1327678625.db2.gz VVRGRGDAJFHUQD-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cc[nH]c(=O)c1 ZINC000926776445 1327711631 /nfs/dbraw/zinc/71/16/31/1327711631.db2.gz AQQXOOLRDXEIBL-JTDSTZFVSA-N 2 0 325.456 3.206 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3ccccc3[nH]1)C2 ZINC000926879107 1327753280 /nfs/dbraw/zinc/75/32/80/1327753280.db2.gz IIQRTKWRKKXAAC-UBPOBCSYSA-N 2 0 341.499 3.298 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)cc1C[NH+]1CCCCC1 ZINC000927149964 1327892467 /nfs/dbraw/zinc/89/24/67/1327892467.db2.gz HHLDXHFUEUCHKN-GPMSIDNRSA-N 2 0 332.488 3.103 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027578490 1327913784 /nfs/dbraw/zinc/91/37/84/1327913784.db2.gz LNXKHKXRJYQHEE-OALUTQOASA-N 2 0 335.536 3.140 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027651150 1328032294 /nfs/dbraw/zinc/03/22/94/1328032294.db2.gz LPCOIVIHYXGJSM-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001027695403 1328102893 /nfs/dbraw/zinc/10/28/93/1328102893.db2.gz UGSJOIYMWWMTTO-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCCCC2)CC[N@@H+]1C ZINC001027895357 1328360749 /nfs/dbraw/zinc/36/07/49/1328360749.db2.gz WAUAIVCPWMMFOD-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCC2)ccc2c[nH+]cn21 ZINC001027982030 1328453928 /nfs/dbraw/zinc/45/39/28/1328453928.db2.gz LERLNYFCNWNLKQ-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865427211 1329695821 /nfs/dbraw/zinc/69/58/21/1329695821.db2.gz ABZWTTOTJZGPER-CQSZACIVSA-N 2 0 348.441 3.187 20 0 EGADRP O=c1ccc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000865717837 1329732181 /nfs/dbraw/zinc/73/21/81/1329732181.db2.gz MQRNRLACVWRRSI-UHFFFAOYSA-N 2 0 325.456 3.179 20 0 EGADRP Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)n1 ZINC000933569135 1329902005 /nfs/dbraw/zinc/90/20/05/1329902005.db2.gz HODAKSJPTVSUMM-KRWDZBQOSA-N 2 0 337.427 3.018 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933899162 1329931847 /nfs/dbraw/zinc/93/18/47/1329931847.db2.gz AIAKQKHJYJMPTB-LJQANCHMSA-N 2 0 330.472 3.010 20 0 EGADRP C[NH+](C)CC1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000935029269 1330024150 /nfs/dbraw/zinc/02/41/50/1330024150.db2.gz OHAKASLBUBWIEL-UHFFFAOYSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000935196185 1330034742 /nfs/dbraw/zinc/03/47/42/1330034742.db2.gz FIOYRYZQYPTMPP-LJQANCHMSA-N 2 0 329.488 3.136 20 0 EGADRP C[NH+](C)CC1(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)CCCC1 ZINC000935389592 1330049429 /nfs/dbraw/zinc/04/94/29/1330049429.db2.gz ZFFJEZQNTPECAV-UHFFFAOYSA-N 2 0 347.503 3.117 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866466978 1330116138 /nfs/dbraw/zinc/11/61/38/1330116138.db2.gz QGYFMUKGXBLUBK-QBPKDAKJSA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000866469316 1330116451 /nfs/dbraw/zinc/11/64/51/1330116451.db2.gz KZLRRNNYANBBBX-QGZVFWFLSA-N 2 0 341.503 3.428 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666323 1330139638 /nfs/dbraw/zinc/13/96/38/1330139638.db2.gz QJHQBJPTRMNOOH-ZHALLVOQSA-N 2 0 329.488 3.034 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942206319 1331878990 /nfs/dbraw/zinc/87/89/90/1331878990.db2.gz XVAQKDLVRAHBOT-DNVCBOLYSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942302116 1331898125 /nfs/dbraw/zinc/89/81/25/1331898125.db2.gz IWSIHVQSAXHBIT-MAUKXSAKSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557187 1331971772 /nfs/dbraw/zinc/97/17/72/1331971772.db2.gz CKKXCWUWUVRTAD-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1=CCCCC1 ZINC000947726785 1333241874 /nfs/dbraw/zinc/24/18/74/1333241874.db2.gz SDBRYNDSVMCEJF-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCC1 ZINC000947776646 1333258617 /nfs/dbraw/zinc/25/86/17/1333258617.db2.gz XSYGYETYOMVHJN-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCC1CCCCC1 ZINC000947934829 1333312328 /nfs/dbraw/zinc/31/23/28/1333312328.db2.gz MPMGSTVYSUVQDP-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCC1CC1 ZINC000948056111 1333357978 /nfs/dbraw/zinc/35/79/78/1333357978.db2.gz HHHRRQWCSJNTGA-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434972 1333523145 /nfs/dbraw/zinc/52/31/45/1333523145.db2.gz HCRITCONWJENOD-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473955 1333540036 /nfs/dbraw/zinc/54/00/36/1333540036.db2.gz NQQHVRPNZPCFFU-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948553825 1333572081 /nfs/dbraw/zinc/57/20/81/1333572081.db2.gz LWLMYVYEYQLPPD-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000948574343 1333582475 /nfs/dbraw/zinc/58/24/75/1333582475.db2.gz FILLMZOSIXEVMO-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948591461 1333587547 /nfs/dbraw/zinc/58/75/47/1333587547.db2.gz XXGYEICPJQDAOQ-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643178 1333609210 /nfs/dbraw/zinc/60/92/10/1333609210.db2.gz RLZJMPMFXWHHJQ-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717461 1333645456 /nfs/dbraw/zinc/64/54/56/1333645456.db2.gz URPCSKMCXRHPGM-GBESFXJTSA-N 2 0 337.552 3.076 20 0 EGADRP CN(C(=O)Cc1cnc[nH]1)[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000948811957 1333692592 /nfs/dbraw/zinc/69/25/92/1333692592.db2.gz CNIMAAJFUZBKLZ-IBGZPJMESA-N 2 0 346.519 3.236 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948860805 1333712620 /nfs/dbraw/zinc/71/26/20/1333712620.db2.gz HEMWIOAWAMAWAI-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000949308489 1333820645 /nfs/dbraw/zinc/82/06/45/1333820645.db2.gz XXHAUHHDVDIVKA-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC000950708004 1334119592 /nfs/dbraw/zinc/11/95/92/1334119592.db2.gz HSCDACFAXINOTG-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000951362252 1334231577 /nfs/dbraw/zinc/23/15/77/1334231577.db2.gz NVBOPMUUAJILCH-YLJYHZDGSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC000952401737 1334449181 /nfs/dbraw/zinc/44/91/81/1334449181.db2.gz FQSSBVDVLKENPZ-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CC[N@H+](CCCC2CCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968194001 1335869470 /nfs/dbraw/zinc/86/94/70/1335869470.db2.gz XLWUZORAAZKTCN-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(C)C)CC[C@@H]2C)o1 ZINC000968688699 1336012245 /nfs/dbraw/zinc/01/22/45/1336012245.db2.gz NHYHZFCKIABTIZ-WMZOPIPTSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968850412 1336067283 /nfs/dbraw/zinc/06/72/83/1336067283.db2.gz YAMSNGZKVZKCIF-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968851783 1336067381 /nfs/dbraw/zinc/06/73/81/1336067381.db2.gz ZJJXTHNNIAIABL-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968850414 1336067913 /nfs/dbraw/zinc/06/79/13/1336067913.db2.gz YAMSNGZKVZKCIF-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC(C)C ZINC000968882439 1336079414 /nfs/dbraw/zinc/07/94/14/1336079414.db2.gz NTTBHHBOCMSOHO-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968888727 1336080840 /nfs/dbraw/zinc/08/08/40/1336080840.db2.gz YMKQDXCHGVRMEH-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000968904385 1336085157 /nfs/dbraw/zinc/08/51/57/1336085157.db2.gz RKVHGWVFESKGRQ-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968990321 1336111794 /nfs/dbraw/zinc/11/17/94/1336111794.db2.gz ASJSXTJMXXZURN-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072466 1336137862 /nfs/dbraw/zinc/13/78/62/1336137862.db2.gz JNXFYBGBERCRFD-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000969458247 1336213519 /nfs/dbraw/zinc/21/35/19/1336213519.db2.gz MZZYWPKMUPSOGJ-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970528497 1336317754 /nfs/dbraw/zinc/31/77/54/1336317754.db2.gz HHKKQLUGRJOCKD-FXAWDEMLSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970594340 1336325744 /nfs/dbraw/zinc/32/57/44/1336325744.db2.gz UNAGDYVUTYEQNA-INIZCTEOSA-N 2 0 345.531 3.235 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005503973 1336363446 /nfs/dbraw/zinc/36/34/46/1336363446.db2.gz OLYSCKHRVLCWKF-YLJYHZDGSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC[NH+](Cc2ccsc2)CC1 ZINC001005814441 1336404189 /nfs/dbraw/zinc/40/41/89/1336404189.db2.gz DIUSPXZSEYPPNK-UHFFFAOYSA-N 2 0 349.544 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005872275 1336413769 /nfs/dbraw/zinc/41/37/69/1336413769.db2.gz UJCUMWPXMKABFI-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005872543 1336414199 /nfs/dbraw/zinc/41/41/99/1336414199.db2.gz BXGBFDJILRLYDB-LJQANCHMSA-N 2 0 335.536 3.115 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006001468 1336436125 /nfs/dbraw/zinc/43/61/25/1336436125.db2.gz OBICSGRRJPSREO-FXAWDEMLSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001006085868 1336450321 /nfs/dbraw/zinc/45/03/21/1336450321.db2.gz GCYCWMLRHWPNKP-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001006233311 1336472928 /nfs/dbraw/zinc/47/29/28/1336472928.db2.gz WGLBMXMNBTUCGA-QGZVFWFLSA-N 2 0 337.552 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001006278650 1336480896 /nfs/dbraw/zinc/48/08/96/1336480896.db2.gz MMENBAAKDHOTTH-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCc1ccccc1Br ZINC001205901201 1370904625 /nfs/dbraw/zinc/90/46/25/1370904625.db2.gz BSSPAQMRRNGXAP-HIFRSBDPSA-N 2 0 325.294 3.441 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007497139 1336658008 /nfs/dbraw/zinc/65/80/08/1336658008.db2.gz AVBFNKQXPYKCAB-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001007500311 1336658571 /nfs/dbraw/zinc/65/85/71/1336658571.db2.gz RXZCXBVWPQWUQS-QZTJIDSGSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007749088 1336694390 /nfs/dbraw/zinc/69/43/90/1336694390.db2.gz UPAOFTMOXIVVLT-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008052749 1336759398 /nfs/dbraw/zinc/75/93/98/1336759398.db2.gz OPITTXXHTLGBMR-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001008278750 1336813331 /nfs/dbraw/zinc/81/33/31/1336813331.db2.gz PXTFUINQEAVADT-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC001206003251 1370934654 /nfs/dbraw/zinc/93/46/54/1370934654.db2.gz GDPLHYZLZPIESF-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540669 1336877957 /nfs/dbraw/zinc/87/79/57/1336877957.db2.gz OPGWEMHSDAXPNS-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008553599 1336880348 /nfs/dbraw/zinc/88/03/48/1336880348.db2.gz VMMHPRHUDGJJFE-MJGOQNOKSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001008769104 1336923762 /nfs/dbraw/zinc/92/37/62/1336923762.db2.gz OUJXRRBUFIDGPW-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001009632973 1337049211 /nfs/dbraw/zinc/04/92/11/1337049211.db2.gz FVWHRNPVDRDAPH-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009682569 1337058966 /nfs/dbraw/zinc/05/89/66/1337058966.db2.gz OYWXDSUVBYIAMZ-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001014447872 1337780181 /nfs/dbraw/zinc/78/01/81/1337780181.db2.gz QXFAGFVWEAHPPT-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014633890 1337854580 /nfs/dbraw/zinc/85/45/80/1337854580.db2.gz UMEIGDSLTYZTOJ-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015388332 1338120536 /nfs/dbraw/zinc/12/05/36/1338120536.db2.gz PNVPWWHWJLDMSW-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001015503447 1338161839 /nfs/dbraw/zinc/16/18/39/1338161839.db2.gz JZMUIUSGDPTDPO-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001015603453 1338204507 /nfs/dbraw/zinc/20/45/07/1338204507.db2.gz TUFHEJMAMVIBKP-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713612 1338272020 /nfs/dbraw/zinc/27/20/20/1338272020.db2.gz POFXUMCSRIHYOM-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015796036 1338315796 /nfs/dbraw/zinc/31/57/96/1338315796.db2.gz UZYIHMWKJFFSAP-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001016336654 1338554565 /nfs/dbraw/zinc/55/45/65/1338554565.db2.gz DAUNADHNIAQUDW-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016619655 1338666720 /nfs/dbraw/zinc/66/67/20/1338666720.db2.gz BWGKXYKQCCVBKA-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016688169 1338690711 /nfs/dbraw/zinc/69/07/11/1338690711.db2.gz OSXIGPJPZMFXDM-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707402 1338697820 /nfs/dbraw/zinc/69/78/20/1338697820.db2.gz UIAUOLWSCIMWAP-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2)[NH+]1CCCCCC1 ZINC001016859416 1338749429 /nfs/dbraw/zinc/74/94/29/1338749429.db2.gz ALTZQCRAPMCSRB-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862484 1338751465 /nfs/dbraw/zinc/75/14/65/1338751465.db2.gz ZZWJYTVDSGARAT-RBUKOAKNSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016906575 1338765255 /nfs/dbraw/zinc/76/52/55/1338765255.db2.gz LTKOWJFKGFNUGI-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001017142336 1338893802 /nfs/dbraw/zinc/89/38/02/1338893802.db2.gz NEFCNWLMSDIMFG-KRWDZBQOSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001017192698 1338938995 /nfs/dbraw/zinc/93/89/95/1338938995.db2.gz CFAIZFKRZYNNRF-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689008 1339391593 /nfs/dbraw/zinc/39/15/93/1339391593.db2.gz LDKQPYADLSZFCE-KDURUIRLSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001018850557 1339738162 /nfs/dbraw/zinc/73/81/62/1339738162.db2.gz YCXXAWQYZZNENH-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001028089378 1340418710 /nfs/dbraw/zinc/41/87/10/1340418710.db2.gz ZXHFUPUTJFNJAP-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001028089360 1340419138 /nfs/dbraw/zinc/41/91/38/1340419138.db2.gz ZQHKJRAKQSZIJJ-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCCC2)CC[N@@H+]1C ZINC001028098149 1340425210 /nfs/dbraw/zinc/42/52/10/1340425210.db2.gz KUAQTABSILUZHE-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001028181494 1340471759 /nfs/dbraw/zinc/47/17/59/1340471759.db2.gz UGZSXBUQTWRHJZ-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001028334938 1340572659 /nfs/dbraw/zinc/57/26/59/1340572659.db2.gz LCMBLTIQBKBSCY-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028537962 1340693413 /nfs/dbraw/zinc/69/34/13/1340693413.db2.gz WKAKSIGQCQDAJR-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028579543 1340712444 /nfs/dbraw/zinc/71/24/44/1340712444.db2.gz GVJXYJVDILSPQK-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001029004396 1340905258 /nfs/dbraw/zinc/90/52/58/1340905258.db2.gz WEKOCVJBLZYLDM-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001029107519 1340931721 /nfs/dbraw/zinc/93/17/21/1340931721.db2.gz AHELDKIPGKAKGV-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001029107429 1340931737 /nfs/dbraw/zinc/93/17/37/1340931737.db2.gz MTAZDWVLIJGZLJ-VQIMIIECSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001029108299 1340931746 /nfs/dbraw/zinc/93/17/46/1340931746.db2.gz ZCBJUBMCTLXUOX-JXFKEZNVSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029759069 1341064798 /nfs/dbraw/zinc/06/47/98/1341064798.db2.gz KPLWBSQEBZNFEU-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)CC1CCCCC1 ZINC001029799906 1341076639 /nfs/dbraw/zinc/07/66/39/1341076639.db2.gz HKDZQKORNAIOMN-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)CC1CCCCC1 ZINC001029799907 1341076681 /nfs/dbraw/zinc/07/66/81/1341076681.db2.gz HKDZQKORNAIOMN-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2C)CC1)[NH+](C)C ZINC001029972904 1341139652 /nfs/dbraw/zinc/13/96/52/1341139652.db2.gz PGXGKXYPHOCPTE-HXUWFJFHSA-N 2 0 345.531 3.006 20 0 EGADRP C[N@H+](CC1CCCC1)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001029982639 1341143548 /nfs/dbraw/zinc/14/35/48/1341143548.db2.gz HQPXGBBCKMWSAX-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001030014882 1341158338 /nfs/dbraw/zinc/15/83/38/1341158338.db2.gz RTEJPWOXVGYWCX-LYBXBRPPSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001030014912 1341158504 /nfs/dbraw/zinc/15/85/04/1341158504.db2.gz TYCVCUJOIXITRH-HDICACEKSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001030020895 1341159868 /nfs/dbraw/zinc/15/98/68/1341159868.db2.gz JDCALBZVLJIVII-SLFFLAALSA-N 2 0 345.531 3.305 20 0 EGADRP O=C(NC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001030444163 1341188018 /nfs/dbraw/zinc/18/80/18/1341188018.db2.gz FFGPYKZFSGEVMS-FQEVSTJZSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001031254572 1341304275 /nfs/dbraw/zinc/30/42/75/1341304275.db2.gz VNKMVQVSKHYSFU-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1=CCCCC1 ZINC001032663739 1341575857 /nfs/dbraw/zinc/57/58/57/1341575857.db2.gz AABJOTLKQOAHQM-SLFFLAALSA-N 2 0 345.531 3.035 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(CC)CC ZINC001032726059 1341593087 /nfs/dbraw/zinc/59/30/87/1341593087.db2.gz FHZZTRODPMSLPB-UFYCRDLUSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033074309 1341716270 /nfs/dbraw/zinc/71/62/70/1341716270.db2.gz YDXSPAPNXVWEKS-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033074521 1341716935 /nfs/dbraw/zinc/71/69/35/1341716935.db2.gz ARIAZWGZEPGVHT-KRWDZBQOSA-N 2 0 337.552 3.220 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001033318686 1341779870 /nfs/dbraw/zinc/77/98/70/1341779870.db2.gz LECXITXQXGIJQL-CTWPCTMYSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033350358 1341791706 /nfs/dbraw/zinc/79/17/06/1341791706.db2.gz AGOPPUQMPHIRJR-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033504378 1341849987 /nfs/dbraw/zinc/84/99/87/1341849987.db2.gz HCXCFMOBZFEKOQ-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001033546830 1341865726 /nfs/dbraw/zinc/86/57/26/1341865726.db2.gz GHJHPMPLOJGDHG-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033683596 1341949738 /nfs/dbraw/zinc/94/97/38/1341949738.db2.gz IECUXHUREFCDTR-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CCC(C)C)C2)o1 ZINC001033699008 1341965713 /nfs/dbraw/zinc/96/57/13/1341965713.db2.gz HVJRJLYIENSKLA-KRWDZBQOSA-N 2 0 349.519 3.314 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033826255 1342027405 /nfs/dbraw/zinc/02/74/05/1342027405.db2.gz NNEAMBDNROKMRT-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033936002 1342099010 /nfs/dbraw/zinc/09/90/10/1342099010.db2.gz LPEJSJMZKVOCKG-WDSOQIARSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210607 1342320629 /nfs/dbraw/zinc/32/06/29/1342320629.db2.gz IFJQQJLOGGADHT-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034248560 1342346513 /nfs/dbraw/zinc/34/65/13/1342346513.db2.gz DKXNVCVNKCGKHC-RBUKOAKNSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034287968 1342374830 /nfs/dbraw/zinc/37/48/30/1342374830.db2.gz JRMSDCAFYJGCKJ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340261 1342413099 /nfs/dbraw/zinc/41/30/99/1342413099.db2.gz MUCIBPKWCADDPL-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034398180 1342465387 /nfs/dbraw/zinc/46/53/87/1342465387.db2.gz NIEROTITKKAXGA-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034398183 1342466708 /nfs/dbraw/zinc/46/67/08/1342466708.db2.gz NIEROTITKKAXGA-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034490634 1342547184 /nfs/dbraw/zinc/54/71/84/1342547184.db2.gz MKDIKTAFDUUKDZ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001034526199 1342583618 /nfs/dbraw/zinc/58/36/18/1342583618.db2.gz VQSTXQJEUOMQGG-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](CCC2CCCCCC2)C1 ZINC001034528096 1342584002 /nfs/dbraw/zinc/58/40/02/1342584002.db2.gz JUSUIFAWJQRXRM-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001034528781 1342585654 /nfs/dbraw/zinc/58/56/54/1342585654.db2.gz RAKMKOVRITVHKG-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034538251 1342595259 /nfs/dbraw/zinc/59/52/59/1342595259.db2.gz KHDRVTIOXZLPDX-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034537973 1342595442 /nfs/dbraw/zinc/59/54/42/1342595442.db2.gz GUDLJPYKWPGARV-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538437 1342596564 /nfs/dbraw/zinc/59/65/64/1342596564.db2.gz STHBEXDERJATDR-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](C(C)C)C2)o1 ZINC001034544111 1342604931 /nfs/dbraw/zinc/60/49/31/1342604931.db2.gz FFLYHPQHWHOLCJ-INIZCTEOSA-N 2 0 335.492 3.114 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034663354 1342677944 /nfs/dbraw/zinc/67/79/44/1342677944.db2.gz UNVNETLHOLFWJJ-WFAGLZIHSA-N 2 0 349.563 3.312 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034792100 1342760754 /nfs/dbraw/zinc/76/07/54/1342760754.db2.gz FALNBQNOYOZYOZ-NCXUSEDFSA-N 2 0 343.515 3.025 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCCC2)cc1 ZINC001034820603 1342783814 /nfs/dbraw/zinc/78/38/14/1342783814.db2.gz JYIOIFLXEBRXCZ-HXUWFJFHSA-N 2 0 343.515 3.067 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034954692 1342851973 /nfs/dbraw/zinc/85/19/73/1342851973.db2.gz UASOAGADZRTNQX-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001034964406 1342854898 /nfs/dbraw/zinc/85/48/98/1342854898.db2.gz LQJNDXLIBQIKHQ-NSHGMRRFSA-N 2 0 345.531 3.223 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035031438 1342886469 /nfs/dbraw/zinc/88/64/69/1342886469.db2.gz YELYMGFLEXRVMF-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001035052480 1342899591 /nfs/dbraw/zinc/89/95/91/1342899591.db2.gz YGIBBPDSERZASR-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035071607 1342911945 /nfs/dbraw/zinc/91/19/45/1342911945.db2.gz ZMBWQNQGDVFQPN-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001035134722 1342950470 /nfs/dbraw/zinc/95/04/70/1342950470.db2.gz OZKXPIJBGUXTBV-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035192311 1343006474 /nfs/dbraw/zinc/00/64/74/1343006474.db2.gz XUOHREDTDFJCEQ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035196152 1343009575 /nfs/dbraw/zinc/00/95/75/1343009575.db2.gz VJPSDVMHYPQIIP-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035195959 1343009653 /nfs/dbraw/zinc/00/96/53/1343009653.db2.gz MADFVANASXOIBL-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001036099125 1343312855 /nfs/dbraw/zinc/31/28/55/1343312855.db2.gz XLWVYTNSUYVUDE-SJLPKXTDSA-N 2 0 337.552 3.122 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC(C)C)[C@@H](C)C2)o1 ZINC001036314037 1343414338 /nfs/dbraw/zinc/41/43/38/1343414338.db2.gz VSSIWXIJQUIPGA-FUHWJXTLSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001036450333 1343494594 /nfs/dbraw/zinc/49/45/94/1343494594.db2.gz KMWMKKNENSUMEX-YLJYHZDGSA-N 2 0 345.531 3.029 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036730968 1343661177 /nfs/dbraw/zinc/66/11/77/1343661177.db2.gz MCZCVLUBIUFALP-NVXWUHKLSA-N 2 0 349.544 3.146 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854593 1343788773 /nfs/dbraw/zinc/78/87/73/1343788773.db2.gz NXMVLGFEDSQCLR-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902515 1343848996 /nfs/dbraw/zinc/84/89/96/1343848996.db2.gz LQPYYWZIZHHPMJ-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904288 1343851000 /nfs/dbraw/zinc/85/10/00/1343851000.db2.gz PFNIAPXFKWXJEZ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037107292 1343976239 /nfs/dbraw/zinc/97/62/39/1343976239.db2.gz PTGPLPPRYOFMML-VQTJNVASSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CC2)c1 ZINC001037279766 1344071651 /nfs/dbraw/zinc/07/16/51/1344071651.db2.gz SVJMVEXTEGPJPG-UXHICEINSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001037847415 1344135429 /nfs/dbraw/zinc/13/54/29/1344135429.db2.gz FCBPHUBUTGGMAV-WBVHZDCISA-N 2 0 349.544 3.050 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248783 1344343876 /nfs/dbraw/zinc/34/38/76/1344343876.db2.gz PQCWNGRQGMMIAM-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038352444 1344392821 /nfs/dbraw/zinc/39/28/21/1344392821.db2.gz HKKVPUWSAORVDO-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001038407822 1344415069 /nfs/dbraw/zinc/41/50/69/1344415069.db2.gz ZTTXFMMVFOMINI-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001039047642 1344733276 /nfs/dbraw/zinc/73/32/76/1344733276.db2.gz FSAVUKMFWOFMOK-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001039051026 1344735487 /nfs/dbraw/zinc/73/54/87/1344735487.db2.gz RFNIZWLBMYCVJR-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001039126458 1344803072 /nfs/dbraw/zinc/80/30/72/1344803072.db2.gz LGYONCMXMPPBGV-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131010 1344809012 /nfs/dbraw/zinc/80/90/12/1344809012.db2.gz DBJVTNQOGYQPJO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)C1 ZINC001039140407 1344820677 /nfs/dbraw/zinc/82/06/77/1344820677.db2.gz GJFBQNFUVIGFPZ-INIZCTEOSA-N 2 0 349.544 3.004 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153781 1344838177 /nfs/dbraw/zinc/83/81/77/1344838177.db2.gz HQTWQQMXVPDOPZ-VQTJNVASSA-N 2 0 349.563 3.099 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167054 1344853225 /nfs/dbraw/zinc/85/32/25/1344853225.db2.gz KXEFQRPPAJDTPM-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182115 1344879690 /nfs/dbraw/zinc/87/96/90/1344879690.db2.gz JFBNMSPTOHEMJP-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039282739 1344995636 /nfs/dbraw/zinc/99/56/36/1344995636.db2.gz STOKBMNBNJJEDX-NXEWRWPSSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001039304972 1345005257 /nfs/dbraw/zinc/00/52/57/1345005257.db2.gz LUYQZHBQLKQAAJ-YQQQUEKLSA-N 2 0 335.536 3.017 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039309585 1345007497 /nfs/dbraw/zinc/00/74/97/1345007497.db2.gz RFASWNFWPQDGLR-YQQQUEKLSA-N 2 0 343.515 3.272 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039398070 1345045883 /nfs/dbraw/zinc/04/58/83/1345045883.db2.gz JWEMGMSJTJJHGE-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039435258 1345066292 /nfs/dbraw/zinc/06/62/92/1345066292.db2.gz ZRABCUIBMLSEHT-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CCCC2)CC1)[NH+](C)C ZINC001039488942 1345108896 /nfs/dbraw/zinc/10/88/96/1345108896.db2.gz GOJIQDAISHXVOH-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001039592698 1345147191 /nfs/dbraw/zinc/14/71/91/1345147191.db2.gz UOQKVVTYWSCUOW-ZSYWTGECSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCC1)C1CCC1 ZINC001039644467 1345152399 /nfs/dbraw/zinc/15/23/99/1345152399.db2.gz CBZCASFKYXLQJR-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@H](C)CC)C1 ZINC001039861134 1345217158 /nfs/dbraw/zinc/21/71/58/1345217158.db2.gz XMRBIORCVVOPSK-WTGUMLROSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001040014976 1345288290 /nfs/dbraw/zinc/28/82/90/1345288290.db2.gz VJBGWHPHMFMTGP-MKXGPGLRSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040245838 1345394490 /nfs/dbraw/zinc/39/44/90/1345394490.db2.gz YODIDFASAWOHEJ-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2)[NH+](C)C ZINC001040251372 1345395923 /nfs/dbraw/zinc/39/59/23/1345395923.db2.gz XLLKUBGULWTJRW-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040355748 1345450648 /nfs/dbraw/zinc/45/06/48/1345450648.db2.gz DDMYOTIEFARWAP-ZJOUEHCJSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040393418 1345473901 /nfs/dbraw/zinc/47/39/01/1345473901.db2.gz BOUXNXLUICNRTA-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817497 1345581823 /nfs/dbraw/zinc/58/18/23/1345581823.db2.gz RICPXUBNSYPDML-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040912231 1345598768 /nfs/dbraw/zinc/59/87/68/1345598768.db2.gz MQOJQYWWZMMFSL-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001040915001 1345599158 /nfs/dbraw/zinc/59/91/58/1345599158.db2.gz SSUMQTYWSGSMPD-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001043521333 1346186449 /nfs/dbraw/zinc/18/64/49/1346186449.db2.gz RXIZCOJJORKURA-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC001044002296 1346232115 /nfs/dbraw/zinc/23/21/15/1346232115.db2.gz AFHNKJPEJMDMKC-JLAWEPINSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044741607 1346418264 /nfs/dbraw/zinc/41/82/64/1346418264.db2.gz CBWYIJZCUWYVBC-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857436 1346447083 /nfs/dbraw/zinc/44/70/83/1346447083.db2.gz JOMDLHLJGDFSLW-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC3CC3)C[C@@H]2C)o1 ZINC001044876574 1346452565 /nfs/dbraw/zinc/45/25/65/1346452565.db2.gz GJZFHHNIBGYROX-DOTOQJQBSA-N 2 0 347.503 3.114 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]C(C)C)C[C@H]2C)o1 ZINC001044878226 1346453138 /nfs/dbraw/zinc/45/31/38/1346453138.db2.gz KNSFFLUNIFWATH-CVEARBPZSA-N 2 0 335.492 3.113 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045035464 1346484231 /nfs/dbraw/zinc/48/42/31/1346484231.db2.gz YFUKPEKTMGAJNG-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045065629 1346488690 /nfs/dbraw/zinc/48/86/90/1346488690.db2.gz BECYQEBROWFADT-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001045165092 1346512767 /nfs/dbraw/zinc/51/27/67/1346512767.db2.gz ZNAOGIONVQNHHX-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)CC[N@@H+]1C ZINC001045444453 1346595093 /nfs/dbraw/zinc/59/50/93/1346595093.db2.gz BJZFOOUPJXQONI-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045640383 1346655952 /nfs/dbraw/zinc/65/59/52/1346655952.db2.gz PATGKTYWKYGANY-RBUKOAKNSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045646080 1346657816 /nfs/dbraw/zinc/65/78/16/1346657816.db2.gz BJVOPQNLOLTUPE-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001045780908 1346696945 /nfs/dbraw/zinc/69/69/45/1346696945.db2.gz YCDMKZQKLQKYEI-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001045876312 1346729020 /nfs/dbraw/zinc/72/90/20/1346729020.db2.gz GBTNEACDLJTKRS-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045937714 1346773842 /nfs/dbraw/zinc/77/38/42/1346773842.db2.gz INIXDCHUTFWZMA-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045937715 1346773900 /nfs/dbraw/zinc/77/39/00/1346773900.db2.gz INIXDCHUTFWZMA-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045942053 1346777602 /nfs/dbraw/zinc/77/76/02/1346777602.db2.gz QQEDSLCNGBGSDU-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045943902 1346779501 /nfs/dbraw/zinc/77/95/01/1346779501.db2.gz RGQAIZDURBOSRI-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950550 1346785411 /nfs/dbraw/zinc/78/54/11/1346785411.db2.gz FNMUSJZAEBEPNU-HXUWFJFHSA-N 2 0 340.471 3.063 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001045984677 1346825407 /nfs/dbraw/zinc/82/54/07/1346825407.db2.gz GLBVMWGQMWGCPE-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986679 1346828283 /nfs/dbraw/zinc/82/82/83/1346828283.db2.gz XZUWNJGCQIIAQS-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046314291 1346931522 /nfs/dbraw/zinc/93/15/22/1346931522.db2.gz AXRZALJCFNLNLC-FPOVZHCZSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@]1(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](CC2CCC2)C1 ZINC001046317005 1346932195 /nfs/dbraw/zinc/93/21/95/1346932195.db2.gz DGLCBAIBXTVIRW-GHTZIAJQSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046375732 1346954859 /nfs/dbraw/zinc/95/48/59/1346954859.db2.gz OYKIIOFXJGRJCU-PZJWPPBQSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1c(C(=O)N[C@@]2(C)CC[N@H+](CC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001046436428 1346975334 /nfs/dbraw/zinc/97/53/34/1346975334.db2.gz PWJPCUCLEISMNU-FQEVSTJZSA-N 2 0 340.471 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046562845 1347018753 /nfs/dbraw/zinc/01/87/53/1347018753.db2.gz SKZNKYWUGRKJMW-TZIWHRDSSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001046742002 1347078603 /nfs/dbraw/zinc/07/86/03/1347078603.db2.gz MPWDAYNQNUQGBN-NRFANRHFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046850867 1347129400 /nfs/dbraw/zinc/12/94/00/1347129400.db2.gz AXTGSFAMHJBGHD-NRFANRHFSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC=C(C)C)C2)o1 ZINC001046864272 1347136710 /nfs/dbraw/zinc/13/67/10/1347136710.db2.gz QYRDKNCOBGJAHL-FQEVSTJZSA-N 2 0 347.503 3.282 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CCC(C)C)C2)o1 ZINC001046864226 1347136815 /nfs/dbraw/zinc/13/68/15/1347136815.db2.gz QAJSDDSWTXBXIW-FQEVSTJZSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047225665 1347256173 /nfs/dbraw/zinc/25/61/73/1347256173.db2.gz GYLCCQZNBYKUHB-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C2CC[NH+](CCC3CC3)CC2)C1)[NH+](C)C ZINC001047242474 1347268078 /nfs/dbraw/zinc/26/80/78/1347268078.db2.gz GNGLWDRUVVIFKL-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C3CC[NH+](CC)CC3)C2)C1 ZINC001047248597 1347273292 /nfs/dbraw/zinc/27/32/92/1347273292.db2.gz NGGBKSBRQXBBBL-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257779 1347280586 /nfs/dbraw/zinc/28/05/86/1347280586.db2.gz UDJXLDQZFIFCGY-ICSRJNTNSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047258148 1347281414 /nfs/dbraw/zinc/28/14/14/1347281414.db2.gz YEJGYNZMLODNOC-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001047867794 1347394097 /nfs/dbraw/zinc/39/40/97/1347394097.db2.gz KWGJRGFCQCCYNY-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047975902 1347431379 /nfs/dbraw/zinc/43/13/79/1347431379.db2.gz PATBVHWENKYMNY-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001048529966 1347579714 /nfs/dbraw/zinc/57/97/14/1347579714.db2.gz AEZLYQAQJWDKRG-KNJMJIDISA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048558049 1347592221 /nfs/dbraw/zinc/59/22/21/1347592221.db2.gz WFABYTOMXNALOL-HAGHYFMRSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001048610421 1347617734 /nfs/dbraw/zinc/61/77/34/1347617734.db2.gz HGFOPLIXORUOBF-DHRHBVOQSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001048624225 1347623012 /nfs/dbraw/zinc/62/30/12/1347623012.db2.gz KXTPBWZCZOGFOO-IYARVYRRSA-N 2 0 345.531 3.282 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049165296 1347737328 /nfs/dbraw/zinc/73/73/28/1347737328.db2.gz LWNPFTQDXQYRRL-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC001049367688 1347807300 /nfs/dbraw/zinc/80/73/00/1347807300.db2.gz ASPXRFONBVQQIJ-XUVXKRRUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477429 1347868475 /nfs/dbraw/zinc/86/84/75/1347868475.db2.gz GQSSWRNVOVRHTH-OALUTQOASA-N 2 0 347.547 3.282 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC2CCCCC2)CCC1 ZINC001049517049 1347887782 /nfs/dbraw/zinc/88/77/82/1347887782.db2.gz GMBPDXALHAPTRZ-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049520818 1347889087 /nfs/dbraw/zinc/88/90/87/1347889087.db2.gz DYWUYCQBYSWYJJ-VAMGGRTRSA-N 2 0 349.563 3.361 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535846 1347896887 /nfs/dbraw/zinc/89/68/87/1347896887.db2.gz KJXUILOATCFFEZ-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049553492 1347906023 /nfs/dbraw/zinc/90/60/23/1347906023.db2.gz VKBXWNUTGJXCQM-VAMGGRTRSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049654509 1347957295 /nfs/dbraw/zinc/95/72/95/1347957295.db2.gz JGFQTXNZTMZMFH-AQNXPRMDSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049703661 1347981496 /nfs/dbraw/zinc/98/14/96/1347981496.db2.gz LXKGBBOBAYZDQJ-OKZBNKHCSA-N 2 0 337.552 3.074 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789498 1348023423 /nfs/dbraw/zinc/02/34/23/1348023423.db2.gz AJPVNCUBPKWQIW-UXHICEINSA-N 2 0 343.515 3.083 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1=CCCCC1 ZINC001049897878 1348098998 /nfs/dbraw/zinc/09/89/98/1348098998.db2.gz VFPVCBRWFJBCGR-UXHICEINSA-N 2 0 345.531 3.038 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049914881 1348109615 /nfs/dbraw/zinc/10/96/15/1348109615.db2.gz RQGRRJNUICMFSP-VQTJNVASSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919392 1348112788 /nfs/dbraw/zinc/11/27/88/1348112788.db2.gz OVLHACQPTKDIPG-AQNXPRMDSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21)[NH+](C)C ZINC001050074559 1348173145 /nfs/dbraw/zinc/17/31/45/1348173145.db2.gz LLJISAODRRHHCW-GSEOLPGOSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC001050261646 1348221474 /nfs/dbraw/zinc/22/14/74/1348221474.db2.gz IMXHIOGDOPVEFT-UZLBHIALSA-N 2 0 343.515 3.236 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001050325260 1348228283 /nfs/dbraw/zinc/22/82/83/1348228283.db2.gz VAZDFJHVZFQGBR-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050331524 1348229180 /nfs/dbraw/zinc/22/91/80/1348229180.db2.gz SFGAGBGCXKIMSC-JCNLHEQBSA-N 2 0 349.544 3.098 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001050385700 1348246160 /nfs/dbraw/zinc/24/61/60/1348246160.db2.gz RSVKHKHAJGPTGO-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050537859 1348286073 /nfs/dbraw/zinc/28/60/73/1348286073.db2.gz ZYOPCWSXPCIFHP-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050543683 1348286913 /nfs/dbraw/zinc/28/69/13/1348286913.db2.gz KCKZTTDWKKUNIK-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050550574 1348288205 /nfs/dbraw/zinc/28/82/05/1348288205.db2.gz NGXTWKZDYQXHSG-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H](C)CC)CC3)C1 ZINC001050630176 1348308716 /nfs/dbraw/zinc/30/87/16/1348308716.db2.gz LIVHCQVVAVDTIW-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378992 1348536311 /nfs/dbraw/zinc/53/63/11/1348536311.db2.gz ZKCYCSXUQYEHRQ-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394936 1348539869 /nfs/dbraw/zinc/53/98/69/1348539869.db2.gz IAHHVFJGPRURNQ-GBESFXJTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515199 1348563979 /nfs/dbraw/zinc/56/39/79/1348563979.db2.gz BHGYRHRQPQIQKL-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccn2c[nH+]cc2c1 ZINC001052531662 1348567426 /nfs/dbraw/zinc/56/74/26/1348567426.db2.gz MJIMKYPENUGEKG-IBGZPJMESA-N 2 0 348.450 3.119 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001052658811 1348616778 /nfs/dbraw/zinc/61/67/78/1348616778.db2.gz ZKYWPXSKXNNICX-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001052765421 1348670379 /nfs/dbraw/zinc/67/03/79/1348670379.db2.gz ZEIPCTFFJGIFOW-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838061 1348696278 /nfs/dbraw/zinc/69/62/78/1348696278.db2.gz ZPZNAPGPBVSGJX-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956654 1348771005 /nfs/dbraw/zinc/77/10/05/1348771005.db2.gz WIOXDBUYHHAYCR-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC(C)(C)C)CC1 ZINC001052985260 1348788202 /nfs/dbraw/zinc/78/82/02/1348788202.db2.gz DYIMGDFFPFQQIH-KDURUIRLSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105073 1348941361 /nfs/dbraw/zinc/94/13/61/1348941361.db2.gz LGICKFMARJMIEQ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001054296275 1349301154 /nfs/dbraw/zinc/30/11/54/1349301154.db2.gz IDPKLACKJBVZIV-GGPKGHCWSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254983 1357537645 /nfs/dbraw/zinc/53/76/45/1357537645.db2.gz KZVCDVNCDXFSBY-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086176818 1359015570 /nfs/dbraw/zinc/01/55/70/1359015570.db2.gz QYCSBMCYVCFCOC-WSTZPKSXSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCCC1CCCC1 ZINC001071796673 1354941136 /nfs/dbraw/zinc/94/11/36/1354941136.db2.gz VNWUDWQRLFTNNI-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCC1CCCC1 ZINC001071822485 1354962576 /nfs/dbraw/zinc/96/25/76/1354962576.db2.gz XSUHZMGOLXLDHV-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC(C)(C)C)C2)CC1 ZINC001071919872 1355024810 /nfs/dbraw/zinc/02/48/10/1355024810.db2.gz JLPVINQVDQBDQM-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099699 1355130125 /nfs/dbraw/zinc/13/01/25/1355130125.db2.gz VXIJODQPIBWNJW-AEFFLSMTSA-N 2 0 331.504 3.131 20 0 EGADRP CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109358 1355136108 /nfs/dbraw/zinc/13/61/08/1355136108.db2.gz FSVXPWDFDQODSS-JKSUJKDBSA-N 2 0 335.492 3.114 20 0 EGADRP C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001072309250 1355232048 /nfs/dbraw/zinc/23/20/48/1355232048.db2.gz GBLFLHZVJFEXPP-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001074100121 1356082949 /nfs/dbraw/zinc/08/29/49/1356082949.db2.gz RPTCMVCJNGKVTR-AZUAARDMSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)c1cccc(Cl)c1 ZINC001074792981 1356243609 /nfs/dbraw/zinc/24/36/09/1356243609.db2.gz QNGLSFYLSHZHCE-IDCJVQTKSA-N 2 0 349.906 3.074 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832440 1356260350 /nfs/dbraw/zinc/26/03/50/1356260350.db2.gz OXFLXTHTQHGVBK-ZULIPRJHSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C)c1ccccc1 ZINC001074831872 1356260362 /nfs/dbraw/zinc/26/03/62/1356260362.db2.gz FLOBILHJBFVZAC-TXTPUJOMSA-N 2 0 343.515 3.057 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C)c1ccc(F)cc1 ZINC001074885467 1356279385 /nfs/dbraw/zinc/27/93/85/1356279385.db2.gz FOSWXYNJOUUCMC-VLQPXKRTSA-N 2 0 349.494 3.196 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C)cc1 ZINC001074885761 1356279394 /nfs/dbraw/zinc/27/93/94/1356279394.db2.gz WAZPAJKGYMHSRG-VDGAXYAQSA-N 2 0 345.531 3.058 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2)[NH+]1CCCCC1 ZINC001078626691 1357040082 /nfs/dbraw/zinc/04/00/82/1357040082.db2.gz UCRHLCRHCZWGLH-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082559401 1358057281 /nfs/dbraw/zinc/05/72/81/1358057281.db2.gz DQBRJNNKHCBFHT-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082570141 1358057636 /nfs/dbraw/zinc/05/76/36/1358057636.db2.gz ADXYDNDWENCVDF-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(CC)CC)C[C@H]32)C1 ZINC001084598833 1358253702 /nfs/dbraw/zinc/25/37/02/1358253702.db2.gz HUCKVRCTRIRZLQ-VAMGGRTRSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014676 1358368026 /nfs/dbraw/zinc/36/80/26/1358368026.db2.gz VOBYMNYIWIIUHL-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001085198435 1358431777 /nfs/dbraw/zinc/43/17/77/1358431777.db2.gz UIEARSWIRWBXHS-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085225400 1358437743 /nfs/dbraw/zinc/43/77/43/1358437743.db2.gz UUWJBVRMBBUGRC-XUVXKRRUSA-N 2 0 349.563 3.457 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)C1 ZINC001085306761 1358461462 /nfs/dbraw/zinc/46/14/62/1358461462.db2.gz PIJRDOZVSNOQGF-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001085310944 1358462350 /nfs/dbraw/zinc/46/23/50/1358462350.db2.gz YQGMIENBFOTWEI-IJXRJRJASA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)C1 ZINC001085332522 1358470220 /nfs/dbraw/zinc/47/02/20/1358470220.db2.gz BEPWXVQQULKCAS-DFQSSKMNSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085687095 1358687537 /nfs/dbraw/zinc/68/75/37/1358687537.db2.gz ICGCLECFZDFCRO-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183869562 1387364002 /nfs/dbraw/zinc/36/40/02/1387364002.db2.gz WJXKIOYOVIRUJS-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086133900 1359005296 /nfs/dbraw/zinc/00/52/96/1359005296.db2.gz JPWCVZWCSMDZIG-NZSAHSFTSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086386931 1359084685 /nfs/dbraw/zinc/08/46/85/1359084685.db2.gz LSRJNHBMKDEUSA-VAMGGRTRSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086558891 1359145296 /nfs/dbraw/zinc/14/52/96/1359145296.db2.gz ZETLGXRALUUQSF-VAMGGRTRSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086695230 1359187469 /nfs/dbraw/zinc/18/74/69/1359187469.db2.gz HWQGZCIQLLEICS-ZCNNSNEGSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001086715637 1359191003 /nfs/dbraw/zinc/19/10/03/1359191003.db2.gz PWZWULPVOHDNHY-SLFFLAALSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926844 1359252241 /nfs/dbraw/zinc/25/22/41/1359252241.db2.gz LTMFMCJJLMQYEM-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927400 1359252737 /nfs/dbraw/zinc/25/27/37/1359252737.db2.gz AMCIBMWDNAMRSH-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086951065 1359271087 /nfs/dbraw/zinc/27/10/87/1359271087.db2.gz SHRPBNRCGGFTJE-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087134990 1359301025 /nfs/dbraw/zinc/30/10/25/1359301025.db2.gz NLUWGPVUDXZVGB-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001087569782 1359536225 /nfs/dbraw/zinc/53/62/25/1359536225.db2.gz MYKHHLRNVNHGNY-ZCNNSNEGSA-N 2 0 343.515 3.029 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC=C(C)C ZINC001087602238 1359550188 /nfs/dbraw/zinc/55/01/88/1359550188.db2.gz FZHSQJXFFKCLSS-CEXWTWQISA-N 2 0 335.536 3.185 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CC1CCCC1 ZINC001087660224 1359576592 /nfs/dbraw/zinc/57/65/92/1359576592.db2.gz ZUVLTVNOUFLLJW-RBUKOAKNSA-N 2 0 340.471 3.107 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CC1CCCCCC1 ZINC001087726832 1359614265 /nfs/dbraw/zinc/61/42/65/1359614265.db2.gz UMGSFZCGRDRLFR-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCC1=CCCCC1 ZINC001087726225 1359614603 /nfs/dbraw/zinc/61/46/03/1359614603.db2.gz XCRCWZTTZKMQBQ-YSIASYRMSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC[C@@H](C)F ZINC001087762650 1359632633 /nfs/dbraw/zinc/63/26/33/1359632633.db2.gz FWODOJWCQNISBM-AYOQOUSVSA-N 2 0 349.494 3.079 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCC1=CCCCC1 ZINC001087797063 1359650026 /nfs/dbraw/zinc/65/00/26/1359650026.db2.gz WHTXFSFYBHZCLQ-SLFFLAALSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C/C=C\Cl ZINC001087838571 1359672596 /nfs/dbraw/zinc/67/25/96/1359672596.db2.gz LKJNNTACVNDIGB-MGEGMALFSA-N 2 0 349.906 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088323389 1359831030 /nfs/dbraw/zinc/83/10/30/1359831030.db2.gz MYNCJDQCDLXECA-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1)C1CCC1 ZINC001088327048 1359831735 /nfs/dbraw/zinc/83/17/35/1359831735.db2.gz FCUCOCNWVYLIRS-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001088367370 1359851818 /nfs/dbraw/zinc/85/18/18/1359851818.db2.gz IJYQKAGWQPIUJB-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC(C)C)C2)C1 ZINC001088367433 1359851827 /nfs/dbraw/zinc/85/18/27/1359851827.db2.gz JXNMUOSVUAGOLR-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001088382056 1359864775 /nfs/dbraw/zinc/86/47/75/1359864775.db2.gz SVYPIUYWKVSYOC-HXUWFJFHSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@@H]1CN(C(=O)CCc2ncc[nH]2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184273198 1387421949 /nfs/dbraw/zinc/42/19/49/1387421949.db2.gz JPTFBAIFNHLABK-SJORKVTESA-N 2 0 348.535 3.243 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399447 1359874436 /nfs/dbraw/zinc/87/44/36/1359874436.db2.gz LEUANNSFAPLERO-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430007 1359897801 /nfs/dbraw/zinc/89/78/01/1359897801.db2.gz FYNVTZAEQWWXND-GOSISDBHSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC1CCC1 ZINC001088569564 1359977010 /nfs/dbraw/zinc/97/70/10/1359977010.db2.gz YXJMKQLVEWFOFQ-POAQFYNOSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088621382 1359993674 /nfs/dbraw/zinc/99/36/74/1359993674.db2.gz BQPQWKVDELDKDN-KURKYZTESA-N 2 0 337.552 3.265 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC001088898991 1360098842 /nfs/dbraw/zinc/09/88/42/1360098842.db2.gz GGMHUUGJGOIIIJ-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088951969 1360111777 /nfs/dbraw/zinc/11/17/77/1360111777.db2.gz RAJVLBZJSHLGKX-APWZRJJASA-N 2 0 337.552 3.122 20 0 EGADRP C[N@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089198009 1360245771 /nfs/dbraw/zinc/24/57/71/1360245771.db2.gz YVWWHQYQPSJJGZ-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334959 1360348846 /nfs/dbraw/zinc/34/88/46/1360348846.db2.gz LSAKMKPYQDEMAP-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336510 1360350022 /nfs/dbraw/zinc/35/00/22/1360350022.db2.gz UWMFXISACYMELD-OALUTQOASA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089400653 1360400161 /nfs/dbraw/zinc/40/01/61/1360400161.db2.gz KEJYBYGNARXOQK-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089420126 1360414547 /nfs/dbraw/zinc/41/45/47/1360414547.db2.gz JXGNUJPHKQXMCE-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089475282 1360458527 /nfs/dbraw/zinc/45/85/27/1360458527.db2.gz ADGZSACLKOVTFW-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492537 1360470046 /nfs/dbraw/zinc/47/00/46/1360470046.db2.gz KDVUBJKGYPRPHA-QZTJIDSGSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)CC1 ZINC001089509844 1360481725 /nfs/dbraw/zinc/48/17/25/1360481725.db2.gz KAFBXKOPPGBRRD-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089539325 1360497427 /nfs/dbraw/zinc/49/74/27/1360497427.db2.gz LBOVVNAUBRNXHI-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561194 1360508851 /nfs/dbraw/zinc/50/88/51/1360508851.db2.gz NXTQKMIAGLJPSM-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC(C)(C)C1 ZINC001089616985 1360537517 /nfs/dbraw/zinc/53/75/17/1360537517.db2.gz QQPQIBLMGAPYRB-MSOLQXFVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638416 1360551989 /nfs/dbraw/zinc/55/19/89/1360551989.db2.gz BQYWOXBECFICDQ-QZTJIDSGSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089657117 1360569224 /nfs/dbraw/zinc/56/92/24/1360569224.db2.gz SHTKCDIDYWPVQR-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001089663021 1360573357 /nfs/dbraw/zinc/57/33/57/1360573357.db2.gz HUMICGCKZFTKOC-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001091123891 1360994380 /nfs/dbraw/zinc/99/43/80/1360994380.db2.gz MWBFAWLLYVGTRQ-MDCZIUGASA-N 2 0 348.450 3.194 20 0 EGADRP O=C(NCC1CC([NH2+]CCC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001091199593 1361005181 /nfs/dbraw/zinc/00/51/81/1361005181.db2.gz QYCSBMCYVCFCOC-QLOJAFMTSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001184566091 1387494137 /nfs/dbraw/zinc/49/41/37/1387494137.db2.gz OHIWFNPULKRYPG-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)CCCCC1 ZINC001184585885 1387497867 /nfs/dbraw/zinc/49/78/67/1387497867.db2.gz YUPJGALKIDAANY-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737895 1361202037 /nfs/dbraw/zinc/20/20/37/1361202037.db2.gz QMLDYMZYSZORCE-SBHAEUEKSA-N 2 0 349.563 3.076 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302042 1361359483 /nfs/dbraw/zinc/35/94/83/1361359483.db2.gz QKXPPDHZVOZXTG-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@@H]2[N@@H+](C(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093378019 1361588606 /nfs/dbraw/zinc/58/86/06/1361588606.db2.gz IQPCEOZRONVGDI-MOPGFXCFSA-N 2 0 349.563 3.074 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001094379827 1361780199 /nfs/dbraw/zinc/78/01/99/1361780199.db2.gz CJKPTZCKOMEOQI-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094430205 1361799472 /nfs/dbraw/zinc/79/94/72/1361799472.db2.gz HLIWAUMZTKOZAU-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094585066 1361870972 /nfs/dbraw/zinc/87/09/72/1361870972.db2.gz LVCXWJQQAGVMOT-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001324102422 1387542913 /nfs/dbraw/zinc/54/29/13/1387542913.db2.gz WZCDSZQFBBSVFV-QRQLOZEOSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891456 1387556043 /nfs/dbraw/zinc/55/60/43/1387556043.db2.gz GPGDFBFBRLBDTH-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812813 1362242338 /nfs/dbraw/zinc/24/23/38/1362242338.db2.gz RDVGNQQDAYWFCJ-YDZRNGNQSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604753 1362594069 /nfs/dbraw/zinc/59/40/69/1362594069.db2.gz PASGJOJRXVTHGT-XCLNPWKQSA-N 2 0 343.515 3.129 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605434 1362594300 /nfs/dbraw/zinc/59/43/00/1362594300.db2.gz OWGCYXGXFFXNHY-RKOGWWSCSA-N 2 0 343.515 3.129 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)CC[N@@H+]1C ZINC001097101496 1362843115 /nfs/dbraw/zinc/84/31/15/1362843115.db2.gz RNONTCIWPYPRRZ-RUGGUXRKSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001097177572 1362874538 /nfs/dbraw/zinc/87/45/38/1362874538.db2.gz UUDQCBYSJJFVBR-ZRNYENFQSA-N 2 0 345.531 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001097176961 1362875278 /nfs/dbraw/zinc/87/52/78/1362875278.db2.gz CZXAVPZZNPBJCL-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406407 1362975244 /nfs/dbraw/zinc/97/52/44/1362975244.db2.gz YKYKXAVXMGGUBM-YSTOQKLRSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444765 1362993357 /nfs/dbraw/zinc/99/33/57/1362993357.db2.gz GSXDPTNLMPMYSK-NXHRZFHOSA-N 2 0 340.471 3.106 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001185090862 1387616978 /nfs/dbraw/zinc/61/69/78/1387616978.db2.gz PFWPYEPLKGUYLW-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)C1CCCC1 ZINC001098826691 1363484198 /nfs/dbraw/zinc/48/41/98/1363484198.db2.gz NLODKOXSNLAYPD-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2 ZINC001099026971 1363582533 /nfs/dbraw/zinc/58/25/33/1363582533.db2.gz ISXGFEGCMQORAL-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001099079341 1363611057 /nfs/dbraw/zinc/61/10/57/1363611057.db2.gz OYDMVNXHDKDURU-FPOVZHCZSA-N 2 0 343.515 3.133 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106184 1363625264 /nfs/dbraw/zinc/62/52/64/1363625264.db2.gz CJXPYQMJKYAVCV-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153726 1363659368 /nfs/dbraw/zinc/65/93/68/1363659368.db2.gz OXPRKACEEXLDRE-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001099170163 1363668434 /nfs/dbraw/zinc/66/84/34/1363668434.db2.gz DNCQIQMXUIMFHS-YZPMEYCISA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099241316 1363710023 /nfs/dbraw/zinc/71/00/23/1363710023.db2.gz YLXIFUPEWFRFHQ-VCVRMXLYSA-N 2 0 337.552 3.290 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310428 1363743382 /nfs/dbraw/zinc/74/33/82/1363743382.db2.gz LXAOOJBYZFHXIT-GOSISDBHSA-N 2 0 337.552 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001099321299 1363749128 /nfs/dbraw/zinc/74/91/28/1363749128.db2.gz TTZVENYVLZHKDA-GOSISDBHSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099355248 1363769309 /nfs/dbraw/zinc/76/93/09/1363769309.db2.gz ZIBLJPUBHPUONE-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001100333178 1364082216 /nfs/dbraw/zinc/08/22/16/1364082216.db2.gz ZBHZKHGZTLLRMY-JLAWEPINSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405852 1364103977 /nfs/dbraw/zinc/10/39/77/1364103977.db2.gz PKLFSYNTOZVYJU-AFMYVXGZSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536379 1364150550 /nfs/dbraw/zinc/15/05/50/1364150550.db2.gz WZDCIEUNGLFXDW-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@H+](CCC(=O)NCC1CC([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001100536065 1364150924 /nfs/dbraw/zinc/15/09/24/1364150924.db2.gz IKOCCIHAXWPNQC-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)[NH+](CC)CC ZINC001100669488 1364211329 /nfs/dbraw/zinc/21/13/29/1364211329.db2.gz ZGTMEOHRKXKWSH-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)C1 ZINC001100680907 1364215628 /nfs/dbraw/zinc/21/56/28/1364215628.db2.gz KYGXSMUAGUYFEM-UHFFFAOYSA-N 2 0 347.547 3.093 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2CC(CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001100887487 1364312859 /nfs/dbraw/zinc/31/28/59/1364312859.db2.gz FFGNDHZRUPDWOC-ZJRDLVKKSA-N 2 0 345.531 3.272 20 0 EGADRP CC1(C)CC(C[NH2+]C2CC(CNC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001100996949 1364362854 /nfs/dbraw/zinc/36/28/54/1364362854.db2.gz NVEJNWOMQNHRBN-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101354160 1364523929 /nfs/dbraw/zinc/52/39/29/1364523929.db2.gz UDPAJDLTVKJOIU-WATYHMNJSA-N 2 0 349.563 3.099 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001101428005 1364559027 /nfs/dbraw/zinc/55/90/27/1364559027.db2.gz ZYORSXVINBAFKR-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441364 1364565598 /nfs/dbraw/zinc/56/55/98/1364565598.db2.gz RFFYEFSWFKWJTA-QUCCMNQESA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487266 1364579402 /nfs/dbraw/zinc/57/94/02/1364579402.db2.gz VKTKQYAJJLFGAY-SBHAEUEKSA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185357959 1387691385 /nfs/dbraw/zinc/69/13/85/1387691385.db2.gz GUANOOKZUBXCSQ-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185360973 1387691818 /nfs/dbraw/zinc/69/18/18/1387691818.db2.gz RILPEHPKTYIPDG-KJBZUCPPSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001101590235 1364641171 /nfs/dbraw/zinc/64/11/71/1364641171.db2.gz GBFDJNNPKGWQCJ-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963173 1364792575 /nfs/dbraw/zinc/79/25/75/1364792575.db2.gz OYTKIWOQDNQRBR-DSTKZSRVSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430357 1365050498 /nfs/dbraw/zinc/05/04/98/1365050498.db2.gz NPYHHDPGAAECRA-UEIMZRGPSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648873 1387717345 /nfs/dbraw/zinc/71/73/45/1387717345.db2.gz XEKMZXQRJFZJMF-XLIONFOSSA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185446462 1387718970 /nfs/dbraw/zinc/71/89/70/1387718970.db2.gz MKXGVFZPCDKIRB-IDPBEMBBSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102613380 1365138177 /nfs/dbraw/zinc/13/81/77/1365138177.db2.gz YSDPPKMQPWPURW-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103085164 1365373054 /nfs/dbraw/zinc/37/30/54/1365373054.db2.gz IRSSJBRHWPNTRA-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C[NH2+]CCC(C)(C)C ZINC001185525638 1387738970 /nfs/dbraw/zinc/73/89/70/1387738970.db2.gz DILAGJSDMMJTHS-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103146621 1365409206 /nfs/dbraw/zinc/40/92/06/1365409206.db2.gz QDQMXJBJTDSQKZ-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001103168829 1365418541 /nfs/dbraw/zinc/41/85/41/1365418541.db2.gz ZPCJGCIKVCMLOP-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001185710100 1387783999 /nfs/dbraw/zinc/78/39/99/1387783999.db2.gz RSNOXXPWWCVMEY-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185740196 1387787329 /nfs/dbraw/zinc/78/73/29/1387787329.db2.gz BGIPJMRLFMIMSS-PSCPARJHSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104676744 1366127142 /nfs/dbraw/zinc/12/71/42/1366127142.db2.gz WAHMOKPEWFYTQP-WSTZPKSXSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185749205 1387788870 /nfs/dbraw/zinc/78/88/70/1387788870.db2.gz AUMUSWUIDHYIRJ-ROUUACIJSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001104752313 1366156611 /nfs/dbraw/zinc/15/66/11/1366156611.db2.gz CBNSTGOYNQNILU-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001104804001 1366180045 /nfs/dbraw/zinc/18/00/45/1366180045.db2.gz HBIJVOLZSIRFCG-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104909082 1366219636 /nfs/dbraw/zinc/21/96/36/1366219636.db2.gz WOCWKOGFXJJQCC-IVCWSTDESA-N 2 0 349.563 3.149 20 0 EGADRP CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001185770993 1387794700 /nfs/dbraw/zinc/79/47/00/1387794700.db2.gz IVKNZWSGHLYROW-IRXDYDNUSA-N 2 0 349.519 3.219 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(CC)CC)C1 ZINC001104932635 1366229582 /nfs/dbraw/zinc/22/95/82/1366229582.db2.gz FABXYGIUGFGOKL-IEBWSBKVSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001104938056 1366231644 /nfs/dbraw/zinc/23/16/44/1366231644.db2.gz NTFBEILCKCANSM-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105393567 1366442049 /nfs/dbraw/zinc/44/20/49/1366442049.db2.gz BDTYOJSJVNGKHV-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1)[NH+](C)C ZINC001105566530 1366534747 /nfs/dbraw/zinc/53/47/47/1366534747.db2.gz OXFLTJPZISKDNO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576356 1366541106 /nfs/dbraw/zinc/54/11/06/1366541106.db2.gz AJNYJMMXRYUSEQ-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)CCC1 ZINC001105579862 1366542884 /nfs/dbraw/zinc/54/28/84/1366542884.db2.gz XMMBZPSQVRWBLL-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106370836 1366673627 /nfs/dbraw/zinc/67/36/27/1366673627.db2.gz CDTCIGHERVGHIG-CQQBRXBZSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633966 1366761419 /nfs/dbraw/zinc/76/14/19/1366761419.db2.gz XUUNZSZJCQVUPD-QLTKYKRFSA-N 2 0 337.552 3.003 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106665170 1366768712 /nfs/dbraw/zinc/76/87/12/1366768712.db2.gz KIBUZNWSICUVEX-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106840168 1366813396 /nfs/dbraw/zinc/81/33/96/1366813396.db2.gz BIMASOPBRRJBAW-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2)[NH+](C)C ZINC001107444396 1366965514 /nfs/dbraw/zinc/96/55/14/1366965514.db2.gz FRDDMIGOQGOBRT-SVFBPWRDSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109273099 1367036096 /nfs/dbraw/zinc/03/60/96/1367036096.db2.gz WRUNOQRLLPJZPF-YDZRNGNQSA-N 2 0 349.563 3.407 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109290218 1367040272 /nfs/dbraw/zinc/04/02/72/1367040272.db2.gz ZJGBFPNDEXLWPN-ITVKQWQRSA-N 2 0 347.547 3.329 20 0 EGADRP C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)[NH+]1CCCCCC1 ZINC001107567385 1367049022 /nfs/dbraw/zinc/04/90/22/1367049022.db2.gz UDWXEZWNJZXECR-YFVAEKQCSA-N 2 0 347.547 3.022 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632040 1367084486 /nfs/dbraw/zinc/08/44/86/1367084486.db2.gz NJLANNDGWNZHEJ-CSDOGUONSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001109446134 1367125750 /nfs/dbraw/zinc/12/57/50/1367125750.db2.gz LXGYQXGRZVNFII-HCXYKTFWSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001109653301 1367265767 /nfs/dbraw/zinc/26/57/67/1367265767.db2.gz SBAZWMIACWDWHG-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001109733387 1367295123 /nfs/dbraw/zinc/29/51/23/1367295123.db2.gz LXGYQXGRZVNFII-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655570 1367318546 /nfs/dbraw/zinc/31/85/46/1367318546.db2.gz QJINVSDNPAXHTL-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001191030140 1367406185 /nfs/dbraw/zinc/40/61/85/1367406185.db2.gz QKTCJKOHKRXDRL-INIZCTEOSA-N 2 0 325.541 3.076 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560567 1367527848 /nfs/dbraw/zinc/52/78/48/1367527848.db2.gz GSKRPXXSMIMNKC-GOSISDBHSA-N 2 0 337.552 3.364 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108772253 1367587713 /nfs/dbraw/zinc/58/77/13/1367587713.db2.gz LDPVBXBVEYUSMG-GBGNZALESA-N 2 0 347.547 3.044 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804312 1367606594 /nfs/dbraw/zinc/60/65/94/1367606594.db2.gz NTMQRPHABGNXII-FHWLQOOXSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823054 1367619459 /nfs/dbraw/zinc/61/94/59/1367619459.db2.gz HLHZSISEZNGWFE-UFYCRDLUSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828345 1367623027 /nfs/dbraw/zinc/62/30/27/1367623027.db2.gz MRPFKWBUZSOYSP-OTWHNJEPSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001191989266 1367658928 /nfs/dbraw/zinc/65/89/28/1367658928.db2.gz RSCTVSGLUKSYEQ-SFHVURJKSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192394871 1367772377 /nfs/dbraw/zinc/77/23/77/1367772377.db2.gz FYQWUOZMDABVRA-ZWKOTPCHSA-N 2 0 339.568 3.179 20 0 EGADRP C[NH+](CCCC1CCC1)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407403 1367774926 /nfs/dbraw/zinc/77/49/26/1367774926.db2.gz VSJQXLPAPWQUGW-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192657056 1367843969 /nfs/dbraw/zinc/84/39/69/1367843969.db2.gz XIXXQFDBLDQBEG-CQQBRXBZSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192845428 1367886583 /nfs/dbraw/zinc/88/65/83/1367886583.db2.gz ICBJIVAJQCJURE-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C[C@H](C)CC)C1 ZINC001192904496 1367900206 /nfs/dbraw/zinc/90/02/06/1367900206.db2.gz AGGKDQRLQSHFTA-QZTJIDSGSA-N 2 0 325.541 3.077 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCCC(C)C)C1 ZINC001192905875 1367901000 /nfs/dbraw/zinc/90/10/00/1367901000.db2.gz GZGHXWHSINIHLV-LJQANCHMSA-N 2 0 339.568 3.467 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917711 1367904310 /nfs/dbraw/zinc/90/43/10/1367904310.db2.gz RCRKTOIDBKHPEN-RTBURBONSA-N 2 0 339.568 3.322 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)C1CC1 ZINC001110666443 1367906038 /nfs/dbraw/zinc/90/60/38/1367906038.db2.gz LMETVXWEDQBEQY-YSTOQKLRSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)CC(C)C)C1 ZINC001193425138 1368027334 /nfs/dbraw/zinc/02/73/34/1368027334.db2.gz TZBXEMVTGUJWQF-SFHVURJKSA-N 2 0 325.541 3.077 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423869 1368027460 /nfs/dbraw/zinc/02/74/60/1368027460.db2.gz HDUVBRNMBWSPRU-WOJBJXKFSA-N 2 0 343.515 3.178 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561488 1368062548 /nfs/dbraw/zinc/06/25/48/1368062548.db2.gz ZODXHFHCYHIHSL-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2CC)C1 ZINC001193601337 1368072312 /nfs/dbraw/zinc/07/23/12/1368072312.db2.gz ZNDCFPKSJXRQQG-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193639533 1368081802 /nfs/dbraw/zinc/08/18/02/1368081802.db2.gz AKUKSVHSQSWTFC-OALUTQOASA-N 2 0 345.531 3.239 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001110959590 1368125299 /nfs/dbraw/zinc/12/52/99/1368125299.db2.gz SBAZWMIACWDWHG-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099555 1368158533 /nfs/dbraw/zinc/15/85/33/1368158533.db2.gz MHKDBEVTDDWLMO-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081534 1368179006 /nfs/dbraw/zinc/17/90/06/1368179006.db2.gz RDPDYOWLIQWCLU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226902 1368212293 /nfs/dbraw/zinc/21/22/93/1368212293.db2.gz HURWGMPQZOVQPA-SFFCAUCYSA-N 2 0 335.536 3.142 20 0 EGADRP CC1(C)CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)C1 ZINC001111459513 1368309958 /nfs/dbraw/zinc/30/99/58/1368309958.db2.gz BDNNVYZKOMRZCO-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454043 1368309998 /nfs/dbraw/zinc/30/99/98/1368309998.db2.gz IKUYAOGIJWAXSQ-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494626 1368321586 /nfs/dbraw/zinc/32/15/86/1368321586.db2.gz YXGMNTJKWAXJNK-MANSERQUSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111754327 1368444701 /nfs/dbraw/zinc/44/47/01/1368444701.db2.gz ZPCFZJOYELITRY-HUUJSLGLSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782341 1368459832 /nfs/dbraw/zinc/45/98/32/1368459832.db2.gz FBPWVNUDFLZPFN-XQMISQMHSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196060510 1368542695 /nfs/dbraw/zinc/54/26/95/1368542695.db2.gz YMCGQJGJLHDILI-RURPWVQCSA-N 2 0 335.536 3.142 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2 ZINC001111909825 1368550488 /nfs/dbraw/zinc/55/04/88/1368550488.db2.gz KYISIIICEJMXHB-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC)C2 ZINC001111935408 1368566769 /nfs/dbraw/zinc/56/67/69/1368566769.db2.gz LBYBFPGMRAXVCL-ICSRJNTNSA-N 2 0 337.552 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)C1 ZINC001111938317 1368567910 /nfs/dbraw/zinc/56/79/10/1368567910.db2.gz WCJMZRQBKZJKIS-WFXMLNOXSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC(C[N@@H+]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)CC2)C1 ZINC001196642029 1368654436 /nfs/dbraw/zinc/65/44/36/1368654436.db2.gz XLVJVWGKHQHGTH-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[N@H+](CCC3CCCC3)CC2)CCCC1 ZINC001196655831 1368657340 /nfs/dbraw/zinc/65/73/40/1368657340.db2.gz KFTZPWOJZOJKDX-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001197141329 1368753618 /nfs/dbraw/zinc/75/36/18/1368753618.db2.gz GWXNVOVEERPSRL-OALUTQOASA-N 2 0 339.568 3.323 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410831 1368830443 /nfs/dbraw/zinc/83/04/43/1368830443.db2.gz RHXOHBAFKVBJHK-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410832 1368830589 /nfs/dbraw/zinc/83/05/89/1368830589.db2.gz RHXOHBAFKVBJHK-ZVDOUQERSA-N 2 0 349.563 3.269 20 0 EGADRP CCc1ccccc1C[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885386 1368919488 /nfs/dbraw/zinc/91/94/88/1368919488.db2.gz DRHXTJFSAQFONP-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001112585726 1368937854 /nfs/dbraw/zinc/93/78/54/1368937854.db2.gz OHMOCIJIMOFGKB-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001198136493 1368966414 /nfs/dbraw/zinc/96/64/14/1368966414.db2.gz SLQAAEJKLLKJGV-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112855279 1369049143 /nfs/dbraw/zinc/04/91/43/1369049143.db2.gz QHPTXJFXKRNCLL-GNAXCBTBSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001113035060 1369155296 /nfs/dbraw/zinc/15/52/96/1369155296.db2.gz HRUYWEUGXXDDBM-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[NH+](CCCC3CCCC3)CC2)CCCC1 ZINC001113156635 1369233354 /nfs/dbraw/zinc/23/33/54/1369233354.db2.gz PESQRSFYUBMJCD-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](C)N1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC001200267320 1369338179 /nfs/dbraw/zinc/33/81/79/1369338179.db2.gz FMCVMJBGAOPUDV-MOPGFXCFSA-N 2 0 345.575 3.388 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001200507741 1369382550 /nfs/dbraw/zinc/38/25/50/1369382550.db2.gz QECHICHYMXFBCJ-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200829518 1369434953 /nfs/dbraw/zinc/43/49/53/1369434953.db2.gz WQYHZOHTGJPTIC-UHFFFAOYSA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001201182048 1369491852 /nfs/dbraw/zinc/49/18/52/1369491852.db2.gz ABYJIIJHVLRUSK-GOSISDBHSA-N 2 0 332.492 3.017 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001113561857 1369494424 /nfs/dbraw/zinc/49/44/24/1369494424.db2.gz SHEXWONDPPUJPH-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201505521 1369558503 /nfs/dbraw/zinc/55/85/03/1369558503.db2.gz ZVNNBWQXWZZRPF-IEBWSBKVSA-N 2 0 331.504 3.183 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113723054 1369586580 /nfs/dbraw/zinc/58/65/80/1369586580.db2.gz IWWJFTLACCFADV-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001201638195 1369594698 /nfs/dbraw/zinc/59/46/98/1369594698.db2.gz JDUQEMFURODYLS-SFTDATJTSA-N 2 0 343.515 3.042 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3nc(C(C)(C)C)cs3)cc[nH+]2)CC1 ZINC001201648809 1369596403 /nfs/dbraw/zinc/59/64/03/1369596403.db2.gz NXBLUOGDHANVES-UHFFFAOYSA-N 2 0 331.489 3.331 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(F)c4cnccc34)cc[nH+]2)CC1 ZINC001201667750 1369601512 /nfs/dbraw/zinc/60/15/12/1369601512.db2.gz ICIBNDXZBBBYHD-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP C[N@H+](CC(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1)CC(C)(C)C ZINC001202539148 1369803123 /nfs/dbraw/zinc/80/31/23/1369803123.db2.gz KNIKKXDUTRKOQG-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202872806 1369914102 /nfs/dbraw/zinc/91/41/02/1369914102.db2.gz QFHOCGCKMOQVOC-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930204 1369929273 /nfs/dbraw/zinc/92/92/73/1369929273.db2.gz RWUDHDHIQKBPPP-ROUUACIJSA-N 2 0 349.563 3.458 20 0 EGADRP CCC1(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)COC1 ZINC001202969526 1369940797 /nfs/dbraw/zinc/94/07/97/1369940797.db2.gz YXGCZHYZIQLTQE-PMACEKPBSA-N 2 0 328.500 3.257 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001114445160 1369947261 /nfs/dbraw/zinc/94/72/61/1369947261.db2.gz LEOLCMBBQFLWME-HCXYKTFWSA-N 2 0 346.519 3.097 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)C(C)C ZINC001202991735 1369947905 /nfs/dbraw/zinc/94/79/05/1369947905.db2.gz QEGSWKXGVUHBKF-SFHVURJKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001203010134 1369952555 /nfs/dbraw/zinc/95/25/55/1369952555.db2.gz IGEFGIYARQBQLS-XYOKQWHBSA-N 2 0 343.515 3.012 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001203041858 1369964163 /nfs/dbraw/zinc/96/41/63/1369964163.db2.gz MDUCBZDSKMMKDH-WAYWQWQTSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC001325749224 1388039607 /nfs/dbraw/zinc/03/96/07/1388039607.db2.gz OQNHAXJFTSGGDP-IBGZPJMESA-N 2 0 329.488 3.344 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1)C1CC1 ZINC001325743997 1388039725 /nfs/dbraw/zinc/03/97/25/1388039725.db2.gz RPQPLALUSBHLRN-HSALFYBXSA-N 2 0 341.499 3.436 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502230 1369977495 /nfs/dbraw/zinc/97/74/95/1369977495.db2.gz QJHFBFYWOVTJQW-BWTSREIZSA-N 2 0 349.563 3.122 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104972 1369984530 /nfs/dbraw/zinc/98/45/30/1369984530.db2.gz UPUXFOODFIVVDI-IRXDYDNUSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115318 1369988201 /nfs/dbraw/zinc/98/82/01/1369988201.db2.gz UFZAKLZVZMGEFP-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CCCc1ccc(C[NH2+]C2CCN(C(=O)CC[N@H+](C)CC)CC2)cc1 ZINC001203203184 1370023427 /nfs/dbraw/zinc/02/34/27/1370023427.db2.gz IFJHWBSTWOWVAF-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230700 1370033056 /nfs/dbraw/zinc/03/30/56/1370033056.db2.gz PTTXXIPYMYPTFX-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH2+]CC2CCC2)CC1)c1ccccc1 ZINC001203312186 1370077232 /nfs/dbraw/zinc/07/72/32/1370077232.db2.gz AJHGQMOINXHADT-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C12CCC2 ZINC001203360622 1370098262 /nfs/dbraw/zinc/09/82/62/1370098262.db2.gz XYUUHSAFSMYDQU-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001203407300 1370114625 /nfs/dbraw/zinc/11/46/25/1370114625.db2.gz JBNRUBGHEOBOGW-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001203443271 1370128852 /nfs/dbraw/zinc/12/88/52/1370128852.db2.gz RGMGESGCVLMRBN-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3ccc(NC)nc3)cc2F)CC1 ZINC001203456742 1370133942 /nfs/dbraw/zinc/13/39/42/1370133942.db2.gz UHDPSTONHNZCCR-UHFFFAOYSA-N 2 0 329.423 3.148 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203505313 1370147675 /nfs/dbraw/zinc/14/76/75/1370147675.db2.gz CHFJXCGENYHKEV-OALUTQOASA-N 2 0 349.563 3.482 20 0 EGADRP COc1ccc2c(Nc3cncc(N4CC[NH+](C)CC4)c3)cc[nH+]c2c1 ZINC001203525024 1370155082 /nfs/dbraw/zinc/15/50/82/1370155082.db2.gz MUSWTZBWBKNLSH-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203576548 1370176516 /nfs/dbraw/zinc/17/65/16/1370176516.db2.gz FYXKCMXHUGXSEE-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]([NH2+]C(C)C)C12CCC2 ZINC001203604686 1370184796 /nfs/dbraw/zinc/18/47/96/1370184796.db2.gz HIVVFGVYKMCGNE-ZWKOTPCHSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCCC3CCC3)C[C@H]21 ZINC001114985233 1370192039 /nfs/dbraw/zinc/19/20/39/1370192039.db2.gz ZRPQFFULKKBWGZ-KXTWHKPSSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203631301 1370193953 /nfs/dbraw/zinc/19/39/53/1370193953.db2.gz LUSHTOAURCXTSJ-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001114988923 1370194330 /nfs/dbraw/zinc/19/43/30/1370194330.db2.gz NCCDZRDCNREISL-UPEXUEJVSA-N 2 0 349.563 3.146 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203732456 1370240218 /nfs/dbraw/zinc/24/02/18/1370240218.db2.gz YPWHCEQIMGETRS-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203781788 1370261667 /nfs/dbraw/zinc/26/16/67/1370261667.db2.gz LBSLGPPNIISGJM-MOPGFXCFSA-N 2 0 349.563 3.460 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001203902140 1370306849 /nfs/dbraw/zinc/30/68/49/1370306849.db2.gz CIQNPHZTZRKQPG-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001203903870 1370308840 /nfs/dbraw/zinc/30/88/40/1370308840.db2.gz PNXXNNGMLLSYTK-UHFFFAOYSA-N 2 0 349.494 3.082 20 0 EGADRP Cc1nc(C[N@@H+]2CCCC23CCN(Cc2ccc[nH]2)CC3)cs1 ZINC001204006895 1370346267 /nfs/dbraw/zinc/34/62/67/1370346267.db2.gz SKACULPPZTTXCW-UHFFFAOYSA-N 2 0 330.501 3.410 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC001204062324 1370365185 /nfs/dbraw/zinc/36/51/85/1370365185.db2.gz LSLZSOYBOMWDFE-UHFFFAOYSA-N 2 0 349.544 3.095 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115450422 1370458366 /nfs/dbraw/zinc/45/83/66/1370458366.db2.gz AFDPQGQUPCQYNC-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001115536702 1370533701 /nfs/dbraw/zinc/53/37/01/1370533701.db2.gz DLDQIJXGRBXMCG-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001115536700 1370533755 /nfs/dbraw/zinc/53/37/55/1370533755.db2.gz DLDQIJXGRBXMCG-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537133 1370534082 /nfs/dbraw/zinc/53/40/82/1370534082.db2.gz XWMPEQSNQGMHCD-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115571853 1370574251 /nfs/dbraw/zinc/57/42/51/1370574251.db2.gz RIAOLXQINDYATH-UHFFFAOYSA-N 2 0 337.552 3.460 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1)C1CCC1 ZINC001115573681 1370576512 /nfs/dbraw/zinc/57/65/12/1370576512.db2.gz TWHZKOUCQFCKMP-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP COc1cc(CO)ccc1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001204819345 1370582998 /nfs/dbraw/zinc/58/29/98/1370582998.db2.gz KTPMVJUAIFWIFI-UHFFFAOYSA-N 2 0 340.467 3.025 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001115591905 1370593094 /nfs/dbraw/zinc/59/30/94/1370593094.db2.gz KKJHYZQZBWWPJT-MOPGFXCFSA-N 2 0 347.547 3.212 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611594 1370610787 /nfs/dbraw/zinc/61/07/87/1370610787.db2.gz OMAYJOBPOJZBPC-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617408 1370614062 /nfs/dbraw/zinc/61/40/62/1370614062.db2.gz UWSHYWZNOWJVNO-UHFFFAOYSA-N 2 0 328.460 3.013 20 0 EGADRP COc1ccc(OCc2ccccc2)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205047173 1370637730 /nfs/dbraw/zinc/63/77/30/1370637730.db2.gz PYAXXQIWPRDVCT-UHFFFAOYSA-N 2 0 340.467 3.445 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1Br ZINC001205058177 1370639649 /nfs/dbraw/zinc/63/96/49/1370639649.db2.gz FRRIJGJRGPCUDB-UHFFFAOYSA-N 2 0 327.266 3.019 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1C)C2 ZINC001205076321 1370644030 /nfs/dbraw/zinc/64/40/30/1370644030.db2.gz UQKXERQZYBCJKV-YADHBBJMSA-N 2 0 342.527 3.484 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001205212021 1370683389 /nfs/dbraw/zinc/68/33/89/1370683389.db2.gz XDTGSSNDLMHBIU-HXUWFJFHSA-N 2 0 326.440 3.155 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001205219198 1370685302 /nfs/dbraw/zinc/68/53/02/1370685302.db2.gz AENHZMQMRIRZRE-CQSZACIVSA-N 2 0 336.785 3.035 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715392 1370694205 /nfs/dbraw/zinc/69/42/05/1370694205.db2.gz GWJOBHULMPUFRN-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(-c3ccccc3)ncc2Cl)CC1 ZINC001205248756 1370695270 /nfs/dbraw/zinc/69/52/70/1370695270.db2.gz SEZWNJUFMSGIHC-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729726 1370711951 /nfs/dbraw/zinc/71/19/51/1370711951.db2.gz QJUJMWDMVCYPJL-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1)CC(C)(C)C ZINC001115730546 1370713110 /nfs/dbraw/zinc/71/31/10/1370713110.db2.gz NGSJIDNEIZKBSZ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc3ncc(Br)cc3c2)C[C@H]1C[NH3+] ZINC001205317681 1370720353 /nfs/dbraw/zinc/72/03/53/1370720353.db2.gz PLKWYUNQFHUGAO-SWLSCSKDSA-N 2 0 348.288 3.414 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461521 1370762248 /nfs/dbraw/zinc/76/22/48/1370762248.db2.gz LZEVLZLPIHFXHJ-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462149 1370763270 /nfs/dbraw/zinc/76/32/70/1370763270.db2.gz UBBUHZNONPUVEI-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205519046 1370778625 /nfs/dbraw/zinc/77/86/25/1370778625.db2.gz SQXRBNNEOLMVLL-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205519816 1370779493 /nfs/dbraw/zinc/77/94/93/1370779493.db2.gz HVRPSBWKRNATBY-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)CC[C@@H]1C[NH3+] ZINC001205618019 1370812799 /nfs/dbraw/zinc/81/27/99/1370812799.db2.gz QPYUJABIFBZHES-NVXWUHKLSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1C[NH3+] ZINC001205618073 1370812983 /nfs/dbraw/zinc/81/29/83/1370812983.db2.gz RESMUMSSCSJTDA-YPMHNXCESA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(F)cccc2Br)CC[C@H]1C[NH3+] ZINC001205617922 1370813323 /nfs/dbraw/zinc/81/33/23/1370813323.db2.gz PGNSKKDUINDFFQ-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC[C@H]1C[NH3+] ZINC001205627567 1370817819 /nfs/dbraw/zinc/81/78/19/1370817819.db2.gz QVYYELORUHDDBV-OLZOCXBDSA-N 2 0 342.940 3.204 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205637807 1370822189 /nfs/dbraw/zinc/82/21/89/1370822189.db2.gz IXGLKSNPZVHBFE-DZGCQCFKSA-N 2 0 338.879 3.324 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205638854 1370823171 /nfs/dbraw/zinc/82/31/71/1370823171.db2.gz SPBIGHZZZWHNII-OCCSQVGLSA-N 2 0 341.293 3.265 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)cc21 ZINC001205651902 1370828445 /nfs/dbraw/zinc/82/84/45/1370828445.db2.gz LNZBQXVKJMDHOL-LPHOPBHVSA-N 3 0 327.516 3.495 20 0 EGADRP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1O ZINC001205651192 1370829112 /nfs/dbraw/zinc/82/91/12/1370829112.db2.gz AZALHDOUDOOKJD-YPMHNXCESA-N 2 0 341.293 3.270 20 0 EGADRP [NH3+]Cc1c[nH]c2ccc(-c3ccc(CC[NH+]4CCOCC4)cc3)cc12 ZINC001205679076 1370840480 /nfs/dbraw/zinc/84/04/80/1370840480.db2.gz BNRITIWEJXOBRZ-UHFFFAOYSA-N 2 0 335.451 3.168 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001205725823 1370852967 /nfs/dbraw/zinc/85/29/67/1370852967.db2.gz LQSZUFSCBJENNZ-JOCHJYFZSA-N 2 0 338.495 3.148 20 0 EGADRP Cc1cccc(-c2ccc(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)cn2)c1C ZINC001205726828 1370853464 /nfs/dbraw/zinc/85/34/64/1370853464.db2.gz YABSUNGSMCIHSL-NRFANRHFSA-N 2 0 339.483 3.041 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC(C[NH2+]CCC3CC3)CC2)CCCCC1 ZINC001205759157 1370861673 /nfs/dbraw/zinc/86/16/73/1370861673.db2.gz JSNLFZXXBYPKDR-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001116475687 1370920310 /nfs/dbraw/zinc/92/03/10/1370920310.db2.gz CHSYBSJPKQJSKV-VQTJNVASSA-N 2 0 345.531 3.122 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC001116480735 1370921633 /nfs/dbraw/zinc/92/16/33/1370921633.db2.gz QHYKYVRCOOKPNG-IUODEOHRSA-N 2 0 326.868 3.177 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205985314 1370929958 /nfs/dbraw/zinc/92/99/58/1370929958.db2.gz XBAXOVPOHCJRSH-VQIMIIECSA-N 2 0 332.488 3.103 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(Br)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205994030 1370932910 /nfs/dbraw/zinc/93/29/10/1370932910.db2.gz ITVUVBRJPMGAOT-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c(F)cccc2Br)CCC[C@@H]1C[NH3+] ZINC001205996190 1370933207 /nfs/dbraw/zinc/93/32/07/1370933207.db2.gz VUJMDDFQFJSMLR-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c(Br)ccc(O)c2F)CCC[C@@H]1C[NH3+] ZINC001206025677 1370942488 /nfs/dbraw/zinc/94/24/88/1370942488.db2.gz OXYJJAMLSPKWRO-GHMZBOCLSA-N 2 0 345.256 3.101 20 0 EGADRP CC(C)CC(CC(C)C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC001206048066 1370948154 /nfs/dbraw/zinc/94/81/54/1370948154.db2.gz ORUSBBHDIUYBNY-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cc4ccccc4[nH]3)c2)CC1 ZINC001116854057 1370986631 /nfs/dbraw/zinc/98/66/31/1370986631.db2.gz QPGIBQUYNZYLDP-UHFFFAOYSA-N 2 0 348.494 3.205 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001206246193 1371003311 /nfs/dbraw/zinc/00/33/11/1371003311.db2.gz RSTABXGNOVEDPL-IBGZPJMESA-N 2 0 339.568 3.371 20 0 EGADRP Cc1cnc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206311780 1371018207 /nfs/dbraw/zinc/01/82/07/1371018207.db2.gz UWRSTGDGPOJNDY-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP CC1([NH+]2CCOCC2)CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001206441697 1371055669 /nfs/dbraw/zinc/05/56/69/1371055669.db2.gz ZKSPNTWQVAKRII-QEMIJWRASA-N 2 0 328.500 3.413 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1Br ZINC001206506768 1371076898 /nfs/dbraw/zinc/07/68/98/1371076898.db2.gz OVKWWSODLZSURN-UHFFFAOYSA-N 2 0 341.293 3.409 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547574 1371090024 /nfs/dbraw/zinc/09/00/24/1371090024.db2.gz JKXZXDNWZYDMJV-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1-n1cnc(C)c1 ZINC001206563843 1371094996 /nfs/dbraw/zinc/09/49/96/1371094996.db2.gz IHBHJCFYXMRQBS-HXUWFJFHSA-N 2 0 342.487 3.140 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001206616984 1371110021 /nfs/dbraw/zinc/11/00/21/1371110021.db2.gz WCBOHZIZKSDHOS-OAHLLOKOSA-N 2 0 328.456 3.418 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001206622369 1371111775 /nfs/dbraw/zinc/11/17/75/1371111775.db2.gz AMTNMPUUWUFGKL-NSHDSACASA-N 2 0 326.366 3.143 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206654368 1371121697 /nfs/dbraw/zinc/12/16/97/1371121697.db2.gz WEYDXYXLLVZREA-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118181183 1371142009 /nfs/dbraw/zinc/14/20/09/1371142009.db2.gz ULVKVJVVLATIMW-UHFFFAOYSA-N 2 0 332.488 3.068 20 0 EGADRP CC(C)([NH3+])CCC(=O)Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC001118221447 1371148666 /nfs/dbraw/zinc/14/86/66/1371148666.db2.gz COEVIMVKZHMZBE-UHFFFAOYSA-N 2 0 343.475 3.005 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001118219564 1371149127 /nfs/dbraw/zinc/14/91/27/1371149127.db2.gz ZZWIMGXCUVKPKB-OXQOHEQNSA-N 2 0 343.515 3.236 20 0 EGADRP CN(C)c1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)s1 ZINC001206750052 1371152709 /nfs/dbraw/zinc/15/27/09/1371152709.db2.gz SUPGIJZJBRHZPU-UHFFFAOYSA-N 2 0 329.513 3.307 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1OC(=O)C(C)C ZINC001206769716 1371159532 /nfs/dbraw/zinc/15/95/32/1371159532.db2.gz PRKFOKFWEOVMKU-NVXWUHKLSA-N 2 0 348.487 3.206 20 0 EGADRP Fc1cnccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001206784080 1371166206 /nfs/dbraw/zinc/16/62/06/1371166206.db2.gz AVKAXGKFHISTQA-UHFFFAOYSA-N 2 0 329.419 3.302 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC001206869135 1371197846 /nfs/dbraw/zinc/19/78/46/1371197846.db2.gz UKNYIHHYJQLFJI-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952462 1371243981 /nfs/dbraw/zinc/24/39/81/1371243981.db2.gz PSZYHGMJSYRKKC-HCZHMGAMSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]21 ZINC001207006615 1371264132 /nfs/dbraw/zinc/26/41/32/1371264132.db2.gz JQQTZHYUQGAYIL-UFYCRDLUSA-N 2 0 337.467 3.398 20 0 EGADRP O=c1[nH]cccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207012851 1371267043 /nfs/dbraw/zinc/26/70/43/1371267043.db2.gz ZEJKIRGEVUFORA-RBUKOAKNSA-N 2 0 337.467 3.131 20 0 EGADRP Cc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cn1 ZINC001207075456 1371286456 /nfs/dbraw/zinc/28/64/56/1371286456.db2.gz PINIGSJDGCOLCR-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP Cc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001207156170 1371313315 /nfs/dbraw/zinc/31/33/15/1371313315.db2.gz BDWNXHYMFXDLLW-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001207279341 1371348550 /nfs/dbraw/zinc/34/85/50/1371348550.db2.gz LCBHMWWKAWOJCQ-PMACEKPBSA-N 2 0 345.531 3.081 20 0 EGADRP OCC[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207284475 1371349698 /nfs/dbraw/zinc/34/96/98/1371349698.db2.gz NSERDCRFDQIFTD-UHFFFAOYSA-N 2 0 338.495 3.393 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@H+]3CCC[C@@H]3CN3CCCC3)CC2)cc1 ZINC001207292705 1371352726 /nfs/dbraw/zinc/35/27/26/1371352726.db2.gz WLNIZZULTDWBAZ-JOCHJYFZSA-N 2 0 341.543 3.459 20 0 EGADRP O=C1CC[C@]2(CCC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)O1 ZINC001207294381 1371353722 /nfs/dbraw/zinc/35/37/22/1371353722.db2.gz QARRAIFWHMLPDE-NRFANRHFSA-N 2 0 342.483 3.070 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001207399843 1371385037 /nfs/dbraw/zinc/38/50/37/1371385037.db2.gz WFYINHWHXACXMP-UHFFFAOYSA-N 2 0 328.378 3.285 20 0 EGADRP CCOC(=O)CCC[N@@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001207400638 1371385290 /nfs/dbraw/zinc/38/52/90/1371385290.db2.gz IDVATLSKGJLOQJ-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207401520 1371386341 /nfs/dbraw/zinc/38/63/41/1371386341.db2.gz ORIBNYPRNNJWTL-PMACEKPBSA-N 2 0 344.499 3.487 20 0 EGADRP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)CCC1CC[NH+](C)CC1)C2 ZINC001207487049 1371410715 /nfs/dbraw/zinc/41/07/15/1371410715.db2.gz FXCVEKLECANQEE-QGZVFWFLSA-N 2 0 332.488 3.007 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC001207488714 1371412050 /nfs/dbraw/zinc/41/20/50/1371412050.db2.gz PJBDWJCGTPHXBM-UHFFFAOYSA-N 2 0 344.503 3.004 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](CCc3cccc(Br)c3)C2)CC1 ZINC001207509327 1371418962 /nfs/dbraw/zinc/41/89/62/1371418962.db2.gz CTVZRGZYSIVWHS-UHFFFAOYSA-N 2 0 337.305 3.409 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541102 1371430324 /nfs/dbraw/zinc/43/03/24/1371430324.db2.gz SQKXYJPCGQYAAP-GUDVDZBRSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001120005335 1371451444 /nfs/dbraw/zinc/45/14/44/1371451444.db2.gz NPQHMOLDBUASKJ-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C[C@H]2C[C@H]4C=C[C@@H]2C4)CC3)cn1 ZINC001207625657 1371457179 /nfs/dbraw/zinc/45/71/79/1371457179.db2.gz RXFXXGLMOASJMW-DFQSSKMNSA-N 2 0 340.515 3.063 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001120032780 1371462715 /nfs/dbraw/zinc/46/27/15/1371462715.db2.gz MNVKUNNMKOKYLD-UHFFFAOYSA-N 2 0 345.531 3.327 20 0 EGADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207742362 1371491005 /nfs/dbraw/zinc/49/10/05/1371491005.db2.gz UEPMRULXWNEBGW-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207795956 1371506064 /nfs/dbraw/zinc/50/60/64/1371506064.db2.gz PQOCBLYZTOIVPT-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3(C)COC3)C[C@H]21 ZINC001207796623 1371507234 /nfs/dbraw/zinc/50/72/34/1371507234.db2.gz YUNKHLDMLBMVQZ-CGTJXYLNSA-N 2 0 334.529 3.317 20 0 EGADRP CC1(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCOCC1 ZINC001207968615 1371555013 /nfs/dbraw/zinc/55/50/13/1371555013.db2.gz BHBQGWTYVRGMSP-NRFANRHFSA-N 2 0 328.500 3.401 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001120401443 1371562061 /nfs/dbraw/zinc/56/20/61/1371562061.db2.gz JEGCBFGMBKIZPQ-MOPGFXCFSA-N 2 0 349.563 3.386 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421877 1371569223 /nfs/dbraw/zinc/56/92/23/1371569223.db2.gz FUWGOCPWZBSCRX-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439610 1371577241 /nfs/dbraw/zinc/57/72/41/1371577241.db2.gz HJIKTNARLJROIN-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048317 1371579726 /nfs/dbraw/zinc/57/97/26/1371579726.db2.gz GEIRGRMTYLXQKC-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001208073383 1371588656 /nfs/dbraw/zinc/58/86/56/1371588656.db2.gz JBBYZAFGCDMMBI-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208106975 1371596592 /nfs/dbraw/zinc/59/65/92/1371596592.db2.gz ICDIHEZZQPVIGV-QGZVFWFLSA-N 2 0 333.495 3.064 20 0 EGADRP CN(C[C@H]1CCC[N@@H+]1CC1(C)CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001208111974 1371598445 /nfs/dbraw/zinc/59/84/45/1371598445.db2.gz PRIGRIROONPMIA-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)CC1(C)CC[NH+](C)CC1 ZINC001208112177 1371598638 /nfs/dbraw/zinc/59/86/38/1371598638.db2.gz SHZRMPYVUTWAIY-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP CC(=O)C1(c2ccccc2)CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208113537 1371599353 /nfs/dbraw/zinc/59/93/53/1371599353.db2.gz LCQJABUCEDNVFT-UHFFFAOYSA-N 2 0 328.500 3.341 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)CC(C)C ZINC001208160823 1371613060 /nfs/dbraw/zinc/61/30/60/1371613060.db2.gz ZQBLSYAOOWMNIS-QGZVFWFLSA-N 2 0 349.523 3.021 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208164958 1371614057 /nfs/dbraw/zinc/61/40/57/1371614057.db2.gz ZQPVNNSREUKCMP-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CC1(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)CCCC1 ZINC001208185411 1371626627 /nfs/dbraw/zinc/62/66/27/1371626627.db2.gz CZACVMXJLLOYBM-RTWAWAEBSA-N 2 0 341.543 3.315 20 0 EGADRP COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185766 1371626700 /nfs/dbraw/zinc/62/67/00/1371626700.db2.gz QBJPTAQIUGKKGB-UYAOXDASSA-N 2 0 338.536 3.016 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281291 1371697032 /nfs/dbraw/zinc/69/70/32/1371697032.db2.gz BAFDJYYLCXXDAT-BTFXCVNISA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208332088 1371721278 /nfs/dbraw/zinc/72/12/78/1371721278.db2.gz ZXKMPYNTXIGJSR-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208363363 1371735371 /nfs/dbraw/zinc/73/53/71/1371735371.db2.gz XYPOSYMSRYKEMC-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N1CCC[C@H]([NH2+]CCCC2CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001208410606 1371757605 /nfs/dbraw/zinc/75/76/05/1371757605.db2.gz BQSHYKVINPYYPQ-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208423088 1371762886 /nfs/dbraw/zinc/76/28/86/1371762886.db2.gz DWBYVSOAOVBZIZ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498875 1371788538 /nfs/dbraw/zinc/78/85/38/1371788538.db2.gz YQTFRMRLSFGKGO-WRFKIARRSA-N 2 0 340.471 3.275 20 0 EGADRP CC(C)C[C@H](CNc1nccnc1C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC001120896947 1371799400 /nfs/dbraw/zinc/79/94/00/1371799400.db2.gz UUOMFSQPPBFNAB-DOTOQJQBSA-N 2 0 327.476 3.113 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1C)[NH+](CC)CC ZINC001208571287 1371822579 /nfs/dbraw/zinc/82/25/79/1371822579.db2.gz KNGGCEKATLXNSI-RLLQIKCJSA-N 2 0 345.531 3.052 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575249 1371823366 /nfs/dbraw/zinc/82/33/66/1371823366.db2.gz LXYNAOJEFHMVEL-MISYRCLQSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208575166 1371823770 /nfs/dbraw/zinc/82/37/70/1371823770.db2.gz KXWAWYJMCYIBFQ-KURKYZTESA-N 2 0 325.541 3.124 20 0 EGADRP CCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588885 1371829505 /nfs/dbraw/zinc/82/95/05/1371829505.db2.gz MMSJWQCDNGVSSQ-NRFANRHFSA-N 2 0 329.532 3.459 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)CC1 ZINC001208601630 1371835926 /nfs/dbraw/zinc/83/59/26/1371835926.db2.gz OMEYZSQBSZYLPB-QGZVFWFLSA-N 2 0 332.488 3.007 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001208602748 1371835940 /nfs/dbraw/zinc/83/59/40/1371835940.db2.gz MCKTVGJKODHEJO-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001208613206 1371839674 /nfs/dbraw/zinc/83/96/74/1371839674.db2.gz RNVYIBDJBOMUSO-FQEVSTJZSA-N 2 0 343.559 3.444 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001208758642 1371885788 /nfs/dbraw/zinc/88/57/88/1371885788.db2.gz MHTFIKFCGXKODN-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001121233633 1371902833 /nfs/dbraw/zinc/90/28/33/1371902833.db2.gz PTTBTJGEAMRZLG-HNSLBZJHSA-N 2 0 347.547 3.211 20 0 EGADRP C[NH+](C)CCCN(CCCc1ccccc1Cl)CCC[NH+](C)C ZINC001208870997 1371926533 /nfs/dbraw/zinc/92/65/33/1371926533.db2.gz DXJVDOGJLLOIOX-UHFFFAOYSA-N 2 0 339.955 3.478 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208878467 1371929920 /nfs/dbraw/zinc/92/99/20/1371929920.db2.gz HQAJVYAZJNMFRX-PKOBYXMFSA-N 2 0 346.471 3.028 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121347347 1371945492 /nfs/dbraw/zinc/94/54/92/1371945492.db2.gz HPKGWIFJGXKUJN-FCOWATRHSA-N 2 0 347.547 3.090 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC001208931474 1371950954 /nfs/dbraw/zinc/95/09/54/1371950954.db2.gz KNOSDWUCAAPWCC-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP O[C@]1(CF)CCCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931249 1371951054 /nfs/dbraw/zinc/95/10/54/1371951054.db2.gz IPTKQWIKIONRDC-UXHICEINSA-N 2 0 334.479 3.085 20 0 EGADRP CCCC[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938440 1371955193 /nfs/dbraw/zinc/95/51/93/1371955193.db2.gz ZIEHYSNIPWHECJ-OAQYLSRUSA-N 2 0 329.532 3.316 20 0 EGADRP CCCCOC(=O)[C@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208962970 1371963365 /nfs/dbraw/zinc/96/33/65/1371963365.db2.gz NBMLNSJYBBZATL-UXHICEINSA-N 2 0 344.499 3.174 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCC(C)C)C3)C1 ZINC001121616980 1372027115 /nfs/dbraw/zinc/02/71/15/1372027115.db2.gz QZEWGLCWQRLKNH-PMRGXDQWSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250722 1372051140 /nfs/dbraw/zinc/05/11/40/1372051140.db2.gz IMVDPNTWYZTOFA-UIHLLAOXSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CCCN(CCCCOCc1ccccc1)CCC[NH+](C)C ZINC001209259042 1372052845 /nfs/dbraw/zinc/05/28/45/1372052845.db2.gz PFISYJIZPXGTBF-UHFFFAOYSA-N 2 0 349.563 3.189 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209278423 1372056284 /nfs/dbraw/zinc/05/62/84/1372056284.db2.gz PVAWDKWKRGPVGL-WMZOPIPTSA-N 2 0 349.519 3.218 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC(C)C)C2)[NH+](CC)CC ZINC001121761344 1372072421 /nfs/dbraw/zinc/07/24/21/1372072421.db2.gz KKIKOTXZFQVQKD-QAELIBMJSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)(C)OC(=O)NCCCCCCN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001209357390 1372076502 /nfs/dbraw/zinc/07/65/02/1372076502.db2.gz NYPOAKRHWDMMDY-KRWDZBQOSA-N 2 0 339.524 3.242 20 0 EGADRP CCC[N@H+](CCCCCNC(=O)OC(C)(C)C)CCC[NH+](C)C ZINC001209374950 1372081175 /nfs/dbraw/zinc/08/11/75/1372081175.db2.gz GTCMSWPKKFVHHY-UHFFFAOYSA-N 2 0 329.529 3.345 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)Cn3ccnc3C(C)C)C2)C1 ZINC001121848932 1372101117 /nfs/dbraw/zinc/10/11/17/1372101117.db2.gz TVCFHNXOHVIJEM-AKJOHPPZSA-N 2 0 346.519 3.070 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001121895609 1372117166 /nfs/dbraw/zinc/11/71/66/1372117166.db2.gz GDYDTUQSJQSUMW-FAFJLIIVSA-N 2 0 347.547 3.211 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC001121897321 1372117547 /nfs/dbraw/zinc/11/75/47/1372117547.db2.gz YQZXSDGHHMNOHZ-WIOLVWRCSA-N 2 0 346.519 3.186 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3ccc(C)cc23)CC1 ZINC001209494845 1372120798 /nfs/dbraw/zinc/12/07/98/1372120798.db2.gz QADZFDILMAESDV-UHFFFAOYSA-N 2 0 342.531 3.326 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001209566112 1372138163 /nfs/dbraw/zinc/13/81/63/1372138163.db2.gz OJOGJKAQDDJNAN-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc2[nH]cc(Cl)c21 ZINC001209655458 1372162095 /nfs/dbraw/zinc/16/20/95/1372162095.db2.gz QLZKJIWSQGOYFE-ZWKOTPCHSA-N 2 0 346.906 3.032 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)C1 ZINC001122056822 1372164418 /nfs/dbraw/zinc/16/44/18/1372164418.db2.gz SDWRCWRKFMGYLJ-KZYAKZRFSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209660202 1372164411 /nfs/dbraw/zinc/16/44/11/1372164411.db2.gz OJGUNCRWQPCHBW-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1)[NH+](C)C ZINC001209668137 1372166117 /nfs/dbraw/zinc/16/61/17/1372166117.db2.gz BNTASFAQRYQQAD-LMEYLOCPSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122094076 1372173619 /nfs/dbraw/zinc/17/36/19/1372173619.db2.gz NAISYWIQBMARNP-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)CC(C)C)C2 ZINC001122106865 1372175763 /nfs/dbraw/zinc/17/57/63/1372175763.db2.gz SVUWFCGCJFPKIZ-UFQJCFOOSA-N 2 0 337.552 3.027 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001122136919 1372184823 /nfs/dbraw/zinc/18/48/23/1372184823.db2.gz HPAKXIVRWNRAIK-UHFFFAOYSA-N 2 0 335.451 3.141 20 0 EGADRP CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001122248850 1372211717 /nfs/dbraw/zinc/21/17/17/1372211717.db2.gz LZMTZABWSWZSJS-FCOWATRHSA-N 2 0 349.563 3.170 20 0 EGADRP CO[C@@H](C)c1cccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001209949583 1372239547 /nfs/dbraw/zinc/23/95/47/1372239547.db2.gz JZBPIOSEGJDSRO-HNNXBMFYSA-N 2 0 326.444 3.284 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)cc1 ZINC001210132504 1372277543 /nfs/dbraw/zinc/27/75/43/1372277543.db2.gz DDBLSRJCYMVRAD-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([NH2+]CCCCCF)C2)cc1 ZINC001210133367 1372278018 /nfs/dbraw/zinc/27/80/18/1372278018.db2.gz OBXHIOLBDFGPGF-IBGZPJMESA-N 2 0 349.494 3.082 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001210181923 1372290154 /nfs/dbraw/zinc/29/01/54/1372290154.db2.gz FXLNVALVRSGRAB-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)C(C)C ZINC001210189684 1372291212 /nfs/dbraw/zinc/29/12/12/1372291212.db2.gz LTUWPSKUUZLQFX-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)C(C)C ZINC001210189307 1372291423 /nfs/dbraw/zinc/29/14/23/1372291423.db2.gz AQHKKJOOXBFKQM-WOJBJXKFSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)(C)c1ccc(O)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210265449 1372309348 /nfs/dbraw/zinc/30/93/48/1372309348.db2.gz DUSYQHSIFPGYQZ-UHFFFAOYSA-N 2 0 326.444 3.238 20 0 EGADRP Clc1cc2ncoc2cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267766 1372311400 /nfs/dbraw/zinc/31/14/00/1372311400.db2.gz NLEXDDNTILCYNP-UHFFFAOYSA-N 2 0 329.791 3.029 20 0 EGADRP c1ccc(-c2cccnc2)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210270369 1372312063 /nfs/dbraw/zinc/31/20/63/1372312063.db2.gz ARXARFYVOAXGFF-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP COc1cc(F)c(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271680 1372312193 /nfs/dbraw/zinc/31/21/93/1372312193.db2.gz ZVXKKZZOYXYIGM-UHFFFAOYSA-N 2 0 336.798 3.036 20 0 EGADRP CC(C)COc1ccc(F)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271556 1372312215 /nfs/dbraw/zinc/31/22/15/1372312215.db2.gz UAAJGECHHHKUJO-UHFFFAOYSA-N 2 0 344.434 3.409 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426764 1372350784 /nfs/dbraw/zinc/35/07/84/1372350784.db2.gz KPRHFCQQMDHFAC-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210427651 1372350846 /nfs/dbraw/zinc/35/08/46/1372350846.db2.gz HJAJZXZHSPNKJE-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210493279 1372366137 /nfs/dbraw/zinc/36/61/37/1372366137.db2.gz KUEAIKBTNGGQFY-HXUWFJFHSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CC)c2ccc(F)cc2)C[C@H]1C ZINC001210529119 1372372384 /nfs/dbraw/zinc/37/23/84/1372372384.db2.gz QOMTZANNYINUIZ-LZQZEXGQSA-N 2 0 349.494 3.055 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001210586529 1372385094 /nfs/dbraw/zinc/38/50/94/1372385094.db2.gz XVYBFZNFNZMTKH-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001210743612 1372417645 /nfs/dbraw/zinc/41/76/45/1372417645.db2.gz JTXLEYOJXXKLFO-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001210751451 1372419189 /nfs/dbraw/zinc/41/91/89/1372419189.db2.gz YPQXVSROANQUHI-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211256513 1372513663 /nfs/dbraw/zinc/51/36/63/1372513663.db2.gz HXQHTUUSRXWNHN-LXORQPIJSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001211257585 1372514656 /nfs/dbraw/zinc/51/46/56/1372514656.db2.gz UASWCXUWTSBIKM-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444046 1372559938 /nfs/dbraw/zinc/55/99/38/1372559938.db2.gz LRAXRMCKDGDETG-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP CCOc1cc(F)c(F)cc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001211800940 1372617553 /nfs/dbraw/zinc/61/75/53/1372617553.db2.gz LKUHEYLSOMSWRT-UHFFFAOYSA-N 2 0 348.397 3.254 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC001212335945 1372689195 /nfs/dbraw/zinc/68/91/95/1372689195.db2.gz PHHHOISGLYXLHP-AWEZNQCLSA-N 2 0 346.328 3.197 20 0 EGADRP C[NH+]1CCN(c2cccc(Nc3ccc4c(c3)C[N@@H+](C)CC4)c2)CC1 ZINC001212717120 1372760598 /nfs/dbraw/zinc/76/05/98/1372760598.db2.gz NZGPGGHMRDRCLM-UHFFFAOYSA-N 2 0 336.483 3.170 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001127327162 1373116216 /nfs/dbraw/zinc/11/62/16/1373116216.db2.gz HLIIUBCHVTXRJJ-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001214853300 1373130041 /nfs/dbraw/zinc/13/00/41/1373130041.db2.gz XZHZKBSGOBTTFB-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234337 1373189848 /nfs/dbraw/zinc/18/98/48/1373189848.db2.gz PONVKQYOXWIVNS-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139572 1388247877 /nfs/dbraw/zinc/24/78/77/1388247877.db2.gz PJTBWTQUPFDORD-MGBKSAOESA-N 2 0 335.536 3.044 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccccc2CN2CC[NH+](C)CC2)c1F ZINC001216222379 1373284689 /nfs/dbraw/zinc/28/46/89/1373284689.db2.gz AUSNNYWXKDDRIN-UHFFFAOYSA-N 2 0 342.462 3.036 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429523 1373383118 /nfs/dbraw/zinc/38/31/18/1373383118.db2.gz HMXUKLPHVRJHPI-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCC[NH2+]CC1CCCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429692 1373383318 /nfs/dbraw/zinc/38/33/18/1373383318.db2.gz JZJMNDXKSGBJLW-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130189315 1373472110 /nfs/dbraw/zinc/47/21/10/1373472110.db2.gz NVOLXKFEMRXNSZ-ICSRJNTNSA-N 2 0 343.515 3.033 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205741 1388264208 /nfs/dbraw/zinc/26/42/08/1388264208.db2.gz VOTJQJGFHGJXPJ-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)[C@H]([NH2+]C)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217723002 1373495632 /nfs/dbraw/zinc/49/56/32/1373495632.db2.gz KOPKPMSHVUUTKT-XIRDDKMYSA-N 2 0 328.460 3.366 20 0 EGADRP CC[C@@H](c1cccc(OC[C@H]2CCC3(C[NH2+]C3)O2)c1)[C@@H](C)C[NH+](C)C ZINC001218068459 1373553010 /nfs/dbraw/zinc/55/30/10/1373553010.db2.gz OHSXDFYZKLXRTR-PWIZWCRZSA-N 2 0 346.515 3.278 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1C ZINC001130622635 1373571789 /nfs/dbraw/zinc/57/17/89/1373571789.db2.gz SHJBJCAWCQFRFV-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)c1ccc(Cl)cc1 ZINC001130874914 1373601721 /nfs/dbraw/zinc/60/17/21/1373601721.db2.gz UEWQAWKSCRSFQF-CYBMUJFWSA-N 2 0 342.830 3.068 20 0 EGADRP Cc1nc(-c2cccc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c2)cs1 ZINC001218813209 1373656595 /nfs/dbraw/zinc/65/65/95/1373656595.db2.gz WGVUWBXGXYDLRZ-INIZCTEOSA-N 2 0 346.500 3.116 20 0 EGADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001218997933 1373676808 /nfs/dbraw/zinc/67/68/08/1373676808.db2.gz LOLGZEZGYKXYSD-SFHVURJKSA-N 2 0 341.499 3.262 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001221544520 1373779436 /nfs/dbraw/zinc/77/94/36/1373779436.db2.gz XZKCIOYLOXDQMY-CEXWTWQISA-N 2 0 349.563 3.218 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799576 1373810376 /nfs/dbraw/zinc/81/03/76/1373810376.db2.gz SEIYCSHQSIZNFN-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccc(F)cc1 ZINC001326736239 1388294694 /nfs/dbraw/zinc/29/46/94/1388294694.db2.gz KQLCYLSIDODDRV-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCc2ncc[nH]2)C[N@@H+]1CCC1CCCCC1 ZINC001132024968 1375104159 /nfs/dbraw/zinc/10/41/59/1375104159.db2.gz KWEYYDCXNHOVLS-AEFFLSMTSA-N 2 0 346.519 3.282 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC1CCC1 ZINC001132105645 1375149815 /nfs/dbraw/zinc/14/98/15/1375149815.db2.gz KQDIDVZQDUEPPB-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)CC[C@H]2C)cs1 ZINC001132106187 1375151050 /nfs/dbraw/zinc/15/10/50/1375151050.db2.gz QXRHBOSYNZDJIQ-PBHICJAKSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC1CCCC1 ZINC001132107539 1375151543 /nfs/dbraw/zinc/15/15/43/1375151543.db2.gz ZZXORDRBPMFWTM-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132157563 1375176493 /nfs/dbraw/zinc/17/64/93/1375176493.db2.gz QUNDDMVMEHHXMU-DOTOQJQBSA-N 2 0 328.460 3.107 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132266677 1375255553 /nfs/dbraw/zinc/25/55/53/1375255553.db2.gz YODQZOGITAZYRV-OALUTQOASA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCC1=CCCCC1 ZINC001132268715 1375256302 /nfs/dbraw/zinc/25/63/02/1375256302.db2.gz AWLIFOIUIZMTDN-PKOBYXMFSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCC1CCCCC1 ZINC001132269660 1375257988 /nfs/dbraw/zinc/25/79/88/1375257988.db2.gz NINXXBXUGVAOSE-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309768 1375287915 /nfs/dbraw/zinc/28/79/15/1375287915.db2.gz DDJFLPLXRZQBIX-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CC1CCCC1 ZINC001132311846 1375290286 /nfs/dbraw/zinc/29/02/86/1375290286.db2.gz YZXGMRXMQZKEEK-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226781981 1375332944 /nfs/dbraw/zinc/33/29/44/1375332944.db2.gz GSCCTNUUOWZRFK-IKSUFZCESA-N 2 0 335.536 3.234 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1F ZINC001132432055 1375376868 /nfs/dbraw/zinc/37/68/68/1375376868.db2.gz AXKDPMOEPSOMQT-AEFFLSMTSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1F ZINC001132432059 1375377653 /nfs/dbraw/zinc/37/76/53/1375377653.db2.gz AXKDPMOEPSOMQT-WMZOPIPTSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCCC1CCC1 ZINC001132434606 1375380218 /nfs/dbraw/zinc/38/02/18/1375380218.db2.gz ZFPFMBJBFCTJHI-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132436266 1375381286 /nfs/dbraw/zinc/38/12/86/1375381286.db2.gz JRPYDWZHMIVVAT-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCC(C)(C)C ZINC001132436721 1375381811 /nfs/dbraw/zinc/38/18/11/1375381811.db2.gz NCZXRIGTOXJJEY-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001227150356 1375397858 /nfs/dbraw/zinc/39/78/58/1375397858.db2.gz OYVSVEMYKQUYRW-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227303019 1375418042 /nfs/dbraw/zinc/41/80/42/1375418042.db2.gz RSMLQMNTZOQPIR-RTBURBONSA-N 2 0 342.487 3.401 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1Cc1ccsc1 ZINC001132517404 1375435882 /nfs/dbraw/zinc/43/58/82/1375435882.db2.gz BXNHLDJGTHUTJN-SJLPKXTDSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001132517407 1375436123 /nfs/dbraw/zinc/43/61/23/1375436123.db2.gz CATLTMLDJKBTAV-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCC1CCCC1 ZINC001132519188 1375437383 /nfs/dbraw/zinc/43/73/83/1375437383.db2.gz UWUWVEYWKKBQJV-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703178 1375463211 /nfs/dbraw/zinc/46/32/11/1375463211.db2.gz DASLPSRCOCXOQA-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001228066953 1375515270 /nfs/dbraw/zinc/51/52/70/1375515270.db2.gz ZJLFAWMLWOBHHE-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228262612 1375536238 /nfs/dbraw/zinc/53/62/38/1375536238.db2.gz VQVREVFOTBMFTP-DFQSSKMNSA-N 2 0 345.531 3.415 20 0 EGADRP O=C(NCC[NH2+]CC1CC2(CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795732 1375568411 /nfs/dbraw/zinc/56/84/11/1375568411.db2.gz XCNSMYIAXCHYOQ-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001132887208 1375625820 /nfs/dbraw/zinc/62/58/20/1375625820.db2.gz CUFVKUMMPGHBEN-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001132938607 1375658191 /nfs/dbraw/zinc/65/81/91/1375658191.db2.gz WJZUUCRZDFBRDI-SJORKVTESA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001132938669 1375658750 /nfs/dbraw/zinc/65/87/50/1375658750.db2.gz XXLYDPCQQMQPTG-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941212 1375660710 /nfs/dbraw/zinc/66/07/10/1375660710.db2.gz HZCQAIYHJSGSIV-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001133010796 1375709043 /nfs/dbraw/zinc/70/90/43/1375709043.db2.gz BIMBFYLWLDHRGC-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)C1 ZINC001228904496 1375709724 /nfs/dbraw/zinc/70/97/24/1375709724.db2.gz JJIHZJVEFCAJHO-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)C1 ZINC001228904497 1375710684 /nfs/dbraw/zinc/71/06/84/1375710684.db2.gz JJIHZJVEFCAJHO-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)CC1 ZINC001228931490 1375719548 /nfs/dbraw/zinc/71/95/48/1375719548.db2.gz CBNSUGIIZCWZRE-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001228998557 1375732529 /nfs/dbraw/zinc/73/25/29/1375732529.db2.gz GHUNCIUNBFRJAJ-QGZVFWFLSA-N 2 0 345.531 3.403 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133072049 1375758404 /nfs/dbraw/zinc/75/84/04/1375758404.db2.gz DONSXIXPLCONJG-YZBXUTEPSA-N 2 0 337.552 3.149 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001327141406 1388398680 /nfs/dbraw/zinc/39/86/80/1388398680.db2.gz DMBSCDSLGHXVRQ-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229125744 1375769558 /nfs/dbraw/zinc/76/95/58/1375769558.db2.gz ANNCIKQBXCXUBO-ATZDWAIDSA-N 2 0 349.494 3.127 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)C(C)C ZINC001229194861 1375785231 /nfs/dbraw/zinc/78/52/31/1375785231.db2.gz RURGEGMJIQCSIM-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133178826 1375825938 /nfs/dbraw/zinc/82/59/38/1375825938.db2.gz XWZULXZPGPOJSU-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133191703 1375833074 /nfs/dbraw/zinc/83/30/74/1375833074.db2.gz SBFRIZPBLKXVES-PSUNPMBVSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001229837711 1375901554 /nfs/dbraw/zinc/90/15/54/1375901554.db2.gz OOPFXNJIMGZNQI-WOJBJXKFSA-N 2 0 345.531 3.244 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229852719 1375904431 /nfs/dbraw/zinc/90/44/31/1375904431.db2.gz KHSOAQCNCJTYBH-YZBXUTEPSA-N 2 0 337.552 3.482 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC001229859863 1375905442 /nfs/dbraw/zinc/90/54/42/1375905442.db2.gz GCTRJCFKTJMROF-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001133314940 1375918005 /nfs/dbraw/zinc/91/80/05/1375918005.db2.gz QFQLNPWCGUQUHJ-UYAOXDASSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133338340 1375930610 /nfs/dbraw/zinc/93/06/10/1375930610.db2.gz UIPJEPZFLPCHJJ-XLIONFOSSA-N 2 0 345.531 3.092 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133341832 1375932643 /nfs/dbraw/zinc/93/26/43/1375932643.db2.gz KRPVXXYHKNDCNE-PKOBYXMFSA-N 2 0 345.531 3.236 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001230355256 1376006943 /nfs/dbraw/zinc/00/69/43/1376006943.db2.gz VRANRMZBTGKZSN-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001230359419 1376008941 /nfs/dbraw/zinc/00/89/41/1376008941.db2.gz APJFKVKRMQATFQ-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1)[NH+](CC)CC ZINC001230598257 1376093555 /nfs/dbraw/zinc/09/35/55/1376093555.db2.gz JEHDFUDFDPQRLH-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001230598438 1376093991 /nfs/dbraw/zinc/09/39/91/1376093991.db2.gz OOHOJNISDDNKMC-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631115 1376108731 /nfs/dbraw/zinc/10/87/31/1376108731.db2.gz XKPPBXYFISOSCO-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC2CCCC2)CC1 ZINC001230630745 1376108863 /nfs/dbraw/zinc/10/88/63/1376108863.db2.gz UMELITPLDLQOOI-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cccc2cc(CN(CC[NH+](C)C)CC[NH+](C)C)c(Cl)nc12 ZINC001231647154 1376293165 /nfs/dbraw/zinc/29/31/65/1376293165.db2.gz UHLPSGKZHAXWII-UHFFFAOYSA-N 2 0 348.922 3.122 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001327194695 1388436573 /nfs/dbraw/zinc/43/65/73/1388436573.db2.gz IGMLTHLUIWEIRZ-QGZVFWFLSA-N 2 0 325.456 3.234 20 0 EGADRP CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014620 1376384392 /nfs/dbraw/zinc/38/43/92/1376384392.db2.gz SQNKMSNNWDEOOY-UHFFFAOYSA-N 2 0 344.459 3.394 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCCC1 ZINC001134370081 1376498565 /nfs/dbraw/zinc/49/85/65/1376498565.db2.gz XEWYEZAAJSKEDT-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584205 1376608213 /nfs/dbraw/zinc/60/82/13/1376608213.db2.gz RUWSMGVULUEWGF-IAGOWNOFSA-N 2 0 349.563 3.314 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001134608033 1376622529 /nfs/dbraw/zinc/62/25/29/1376622529.db2.gz PRTYWHUNLDZRKD-IRXDYDNUSA-N 2 0 345.531 3.106 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728632 1376680793 /nfs/dbraw/zinc/68/07/93/1376680793.db2.gz AUWPOVPZAPCHSW-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729683 1376682348 /nfs/dbraw/zinc/68/23/48/1376682348.db2.gz LBIBZCSBTQLFID-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)[NH+]1CCCCCC1 ZINC001134757925 1376703731 /nfs/dbraw/zinc/70/37/31/1376703731.db2.gz UFSWZHBTAYFUFE-KRSRXSRCSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001134766779 1376710383 /nfs/dbraw/zinc/71/03/83/1376710383.db2.gz LZRVNVGDPGISEP-YLZBSDIZSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001134772775 1376712019 /nfs/dbraw/zinc/71/20/19/1376712019.db2.gz HLFNWPQMPGZAOY-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001134772377 1376712677 /nfs/dbraw/zinc/71/26/77/1376712677.db2.gz CQSLNKXYHWUVDI-CVEARBPZSA-N 2 0 337.552 3.170 20 0 EGADRP CN(CCC[N@H+](C)C/C=C/Cl)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001327239361 1388459280 /nfs/dbraw/zinc/45/92/80/1388459280.db2.gz NEMSDPGUMGZYPA-XYOKQWHBSA-N 2 0 343.943 3.031 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001189110219 1388459736 /nfs/dbraw/zinc/45/97/36/1388459736.db2.gz NIPQGDOZEMAFAE-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)[NH+](CC)CC ZINC001189111247 1388461299 /nfs/dbraw/zinc/46/12/99/1388461299.db2.gz XTOCBTCHEDJCKU-RCCFBDPRSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888006 1376768423 /nfs/dbraw/zinc/76/84/23/1376768423.db2.gz JJURKUWOXAUUKC-JKSUJKDBSA-N 2 0 340.471 3.321 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892089 1376771122 /nfs/dbraw/zinc/77/11/22/1376771122.db2.gz JXTTUOBDKVKGQH-GJZGRUSLSA-N 2 0 342.487 3.257 20 0 EGADRP Fc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428563 1376870658 /nfs/dbraw/zinc/87/06/58/1376870658.db2.gz QQHCDAKDWFDFCN-RYUDHWBXSA-N 2 0 330.369 3.455 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1)[NH+](C)C ZINC001235588523 1376876158 /nfs/dbraw/zinc/87/61/58/1376876158.db2.gz KPRWNNYQNBPWLT-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077597 1376882693 /nfs/dbraw/zinc/88/26/93/1376882693.db2.gz PYCJJQQSNJKQDQ-QZTJIDSGSA-N 2 0 337.552 3.480 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]C/C=C/Cl ZINC001135078124 1376882990 /nfs/dbraw/zinc/88/29/90/1376882990.db2.gz ZFRLSKBQBCYJFH-KBSQKKJPSA-N 2 0 343.943 3.266 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081003 1376883848 /nfs/dbraw/zinc/88/38/48/1376883848.db2.gz FMFQAOXGVQADMS-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP CCOC(=O)c1c(C)[nH]c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1C ZINC001235702487 1376884664 /nfs/dbraw/zinc/88/46/64/1376884664.db2.gz VNJXQGNINGMGRA-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)Cc1cccc2cccnc21 ZINC001235726625 1376887116 /nfs/dbraw/zinc/88/71/16/1376887116.db2.gz NQZUCGDKUMUBCL-UHFFFAOYSA-N 2 0 346.478 3.276 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101950 1376899247 /nfs/dbraw/zinc/89/92/47/1376899247.db2.gz UNFXUBVHYIGGCO-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP Clc1ccc([C@@H]2CC[N@H+](CC[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC001235882996 1376908928 /nfs/dbraw/zinc/90/89/28/1376908928.db2.gz WEQIYIICHLROBI-KGLIPLIRSA-N 2 0 329.271 3.161 20 0 EGADRP [NH3+]Cc1cccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001236181861 1376939231 /nfs/dbraw/zinc/93/92/31/1376939231.db2.gz KMLBXPMLGHEAJR-QFIPXVFZSA-N 2 0 335.495 3.386 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182937 1376939420 /nfs/dbraw/zinc/93/94/20/1376939420.db2.gz AVPXNEDUJCICCL-GMAHTHKFSA-N 2 0 347.506 3.244 20 0 EGADRP CCOc1cc(Br)cc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236227298 1376943512 /nfs/dbraw/zinc/94/35/12/1376943512.db2.gz BOXBNWIOJGGHTP-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP c1ccc(C2([NH+]3CCN(Cc4ccc5c(c4)CC[NH2+]C5)CC3)CC2)cc1 ZINC001236229627 1376943838 /nfs/dbraw/zinc/94/38/38/1376943838.db2.gz JRWJSIMEBCJKIY-UHFFFAOYSA-N 2 0 347.506 3.139 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001135297421 1377026596 /nfs/dbraw/zinc/02/65/96/1377026596.db2.gz BGUUQPRMBQBTJD-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1cccc(CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135314735 1377033518 /nfs/dbraw/zinc/03/35/18/1377033518.db2.gz GGWAIRGIOBHKJK-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1ccccc1CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135317086 1377034681 /nfs/dbraw/zinc/03/46/81/1377034681.db2.gz WTANITQSISTGAJ-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCC[NH+](C)C ZINC001135317328 1377034696 /nfs/dbraw/zinc/03/46/96/1377034696.db2.gz XPWCLTWCRNZUCV-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135317330 1377034702 /nfs/dbraw/zinc/03/47/02/1377034702.db2.gz XPWCLTWCRNZUCV-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001135337252 1377044775 /nfs/dbraw/zinc/04/47/75/1377044775.db2.gz XTMILBXLAOXBMH-QZTJIDSGSA-N 2 0 345.531 3.284 20 0 EGADRP CC[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246380962 1377051612 /nfs/dbraw/zinc/05/16/12/1377051612.db2.gz LJQNZPRBXUHCTD-REPLKXPHSA-N 2 0 347.522 3.389 20 0 EGADRP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545622 1377052088 /nfs/dbraw/zinc/05/20/88/1377052088.db2.gz WHTCKNZBRCMCJP-SJKOYZFVSA-N 2 0 346.849 3.115 20 0 EGADRP CC(C)(C)[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246821065 1377055037 /nfs/dbraw/zinc/05/50/37/1377055037.db2.gz ICLMPKCWXDEFAJ-FUMNGEBKSA-N 2 0 327.516 3.112 20 0 EGADRP C[C@@H]1CC[C@H]([NH3+])CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246820007 1377055259 /nfs/dbraw/zinc/05/52/59/1377055259.db2.gz HIHNUXSCURNAEC-VLQCVTHLSA-N 2 0 327.516 3.384 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001135376689 1377062330 /nfs/dbraw/zinc/06/23/30/1377062330.db2.gz XQQWWMQYGTYBAV-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252934527 1377093508 /nfs/dbraw/zinc/09/35/08/1377093508.db2.gz UWTINYFKBOKPLM-QFIPXVFZSA-N 2 0 338.495 3.454 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001135440308 1377098590 /nfs/dbraw/zinc/09/85/90/1377098590.db2.gz KXTFZHCRHYDZTM-OALUTQOASA-N 2 0 339.568 3.421 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001135441041 1377098781 /nfs/dbraw/zinc/09/87/81/1377098781.db2.gz YGTYBFADEPJYPB-MRXNPFEDSA-N 2 0 337.483 3.105 20 0 EGADRP [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254373265 1377103721 /nfs/dbraw/zinc/10/37/21/1377103721.db2.gz ZVWVZZIBSBAQAT-INIZCTEOSA-N 2 0 342.405 3.220 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475555 1377110138 /nfs/dbraw/zinc/11/01/38/1377110138.db2.gz CEFMXAZREWEKSC-ZWKOTPCHSA-N 2 0 349.563 3.482 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)C(C)C ZINC001135474649 1377110323 /nfs/dbraw/zinc/11/03/23/1377110323.db2.gz WONBGBDBFXGYAU-JYHGAKRHSA-N 2 0 345.531 3.162 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135705640 1377190112 /nfs/dbraw/zinc/19/01/12/1377190112.db2.gz GWSMDPLZNVNHNF-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001266116334 1377194038 /nfs/dbraw/zinc/19/40/38/1377194038.db2.gz JLNGJBSJIPLWBU-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001266143904 1377206449 /nfs/dbraw/zinc/20/64/49/1377206449.db2.gz JHEBSMQJEROJJH-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768958 1377206908 /nfs/dbraw/zinc/20/69/08/1377206908.db2.gz VFIYFJRTVPNDGY-ZWKOTPCHSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135829873 1377224347 /nfs/dbraw/zinc/22/43/47/1377224347.db2.gz HBHGLQAIYRUJBN-IRXDYDNUSA-N 2 0 325.541 3.026 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135861145 1377238210 /nfs/dbraw/zinc/23/82/10/1377238210.db2.gz MTVAMDBZEYPEFT-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135861486 1377238767 /nfs/dbraw/zinc/23/87/67/1377238767.db2.gz RSZMZUPPVHOFHW-KBPBESRZSA-N 2 0 339.549 3.080 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C)[NH2+]CC1=CCCCC1 ZINC001135935487 1377269167 /nfs/dbraw/zinc/26/91/67/1377269167.db2.gz UMQYZUPPOPIEGU-CVEARBPZSA-N 2 0 344.503 3.135 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C)[NH2+]CCC(C)(C)C ZINC001135944522 1377272717 /nfs/dbraw/zinc/27/27/17/1377272717.db2.gz LADHUAQEIAPYRB-CABCVRRESA-N 2 0 334.508 3.070 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944944 1377273721 /nfs/dbraw/zinc/27/37/21/1377273721.db2.gz SQOBDNHAPSNCQY-MGSINWNPSA-N 2 0 346.519 3.381 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961107 1377277501 /nfs/dbraw/zinc/27/75/01/1377277501.db2.gz LSSQHZGBDZQDOC-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135974475 1377283438 /nfs/dbraw/zinc/28/34/38/1377283438.db2.gz PUMLREWVBKHZFW-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135977171 1377284542 /nfs/dbraw/zinc/28/45/42/1377284542.db2.gz QIRYJQJTCYXVJW-MOPGFXCFSA-N 2 0 347.547 3.327 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135980478 1377286172 /nfs/dbraw/zinc/28/61/72/1377286172.db2.gz OSUXOVBGURDKHG-LZZACLKFSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001135995991 1377292261 /nfs/dbraw/zinc/29/22/61/1377292261.db2.gz PENXELNBNBIXLS-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)C1CCCCC1 ZINC001266373479 1377298556 /nfs/dbraw/zinc/29/85/56/1377298556.db2.gz DVSSPFCXRLYLDR-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP Cc1c(C(=O)NCC[C@H](C)[NH2+]C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001267133502 1377416421 /nfs/dbraw/zinc/41/64/21/1377416421.db2.gz ICRIRWQUQZXKKQ-CVEARBPZSA-N 2 0 344.503 3.423 20 0 EGADRP C[C@H]1CCc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)sc2C1 ZINC001327386703 1388509950 /nfs/dbraw/zinc/50/99/50/1388509950.db2.gz MGCJJRVBPASSNA-GOEBONIOSA-N 2 0 333.545 3.480 20 0 EGADRP COc1c(C)cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1C ZINC001138429626 1377723289 /nfs/dbraw/zinc/72/32/89/1377723289.db2.gz INMIBPZCBLPJOG-UHFFFAOYSA-N 2 0 325.456 3.338 20 0 EGADRP CCCCOc1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC001138954648 1377808644 /nfs/dbraw/zinc/80/86/44/1377808644.db2.gz YRYSCWMZKSUBQX-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CCCn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041578 1377821295 /nfs/dbraw/zinc/82/12/95/1377821295.db2.gz LKLNNWWDUSNEDD-RTWAWAEBSA-N 2 0 338.499 3.247 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)cc(Cl)cc1F ZINC001139054256 1377822340 /nfs/dbraw/zinc/82/23/40/1377822340.db2.gz UMXRKFGCSOHCIX-UHFFFAOYSA-N 2 0 347.881 3.324 20 0 EGADRP Cc1cccc2[nH]cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c21 ZINC001139196696 1377848830 /nfs/dbraw/zinc/84/88/30/1377848830.db2.gz REKDLOSQDFTCRC-UHFFFAOYSA-N 2 0 330.520 3.182 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)s2)cc1 ZINC001139792620 1377951551 /nfs/dbraw/zinc/95/15/51/1377951551.db2.gz HBUUGKNIJSLFJI-CVEARBPZSA-N 2 0 343.496 3.202 20 0 EGADRP C[N@H+](C1CCOCC1)C1CCN(Cc2cncc3ccccc32)CC1 ZINC001139894807 1377974548 /nfs/dbraw/zinc/97/45/48/1377974548.db2.gz FWZJZTUAYVGEEF-UHFFFAOYSA-N 2 0 339.483 3.310 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001139931859 1377979510 /nfs/dbraw/zinc/97/95/10/1377979510.db2.gz WNPDIHGZMHRCTC-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OCC1CC1 ZINC001140489922 1378071086 /nfs/dbraw/zinc/07/10/86/1378071086.db2.gz CDJXNVKFEAVTCZ-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(F)c1Cl ZINC001140562956 1378085495 /nfs/dbraw/zinc/08/54/95/1378085495.db2.gz MTBJAKNMQQRITJ-UHFFFAOYSA-N 2 0 329.891 3.185 20 0 EGADRP CCCc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1 ZINC001275768312 1378156302 /nfs/dbraw/zinc/15/63/02/1378156302.db2.gz RREMBDFSJGEQIG-UHFFFAOYSA-N 2 0 329.532 3.099 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cc3ccccc3s1)C2 ZINC001276314159 1378170736 /nfs/dbraw/zinc/17/07/36/1378170736.db2.gz ARWYSYOUPZUMIQ-UHFFFAOYSA-N 2 0 343.540 3.361 20 0 EGADRP C[N@@H+]1CCCC2(CC[NH+](Cc3cccc(-c4cncnc4)c3)CC2)C1 ZINC001276336631 1378172061 /nfs/dbraw/zinc/17/20/61/1378172061.db2.gz OEMAQDIKEBIDPO-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP Clc1ccc(-n2cccc2C[N@H+]2CCc3nccn3CC2)cc1 ZINC001140941699 1378186770 /nfs/dbraw/zinc/18/67/70/1378186770.db2.gz RZPCYDPDRMTWHR-UHFFFAOYSA-N 2 0 326.831 3.386 20 0 EGADRP CN1CCC([N@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001277624676 1378240224 /nfs/dbraw/zinc/24/02/24/1378240224.db2.gz GNXAAEUDZCSYCY-IYBDPMFKSA-N 2 0 347.469 3.067 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC001141155258 1378253055 /nfs/dbraw/zinc/25/30/55/1378253055.db2.gz JCLCNWRRVJQGFJ-UHFFFAOYSA-N 2 0 338.398 3.316 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1sccc1OC ZINC001141327530 1378302879 /nfs/dbraw/zinc/30/28/79/1378302879.db2.gz YBIZKALNCDMYJU-UHFFFAOYSA-N 2 0 341.565 3.242 20 0 EGADRP COc1cc(C(F)(F)F)ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001141609181 1378349929 /nfs/dbraw/zinc/34/99/29/1378349929.db2.gz ZXFXSIOLZCZQHK-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1coc2ccc(F)cc12 ZINC001141854978 1378386839 /nfs/dbraw/zinc/38/68/39/1378386839.db2.gz ZIBWLHBMOXKOOK-UHFFFAOYSA-N 2 0 335.467 3.277 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)CC1 ZINC001142204809 1378420129 /nfs/dbraw/zinc/42/01/29/1378420129.db2.gz MUFDWJFPPLTMFU-UHFFFAOYSA-N 2 0 330.472 3.170 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CCCCC1 ZINC001143140730 1378546125 /nfs/dbraw/zinc/54/61/25/1378546125.db2.gz VADPYTDBWBUBDM-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001146535741 1378862568 /nfs/dbraw/zinc/86/25/68/1378862568.db2.gz NVCXFXDOLSUIGV-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583060 1378870860 /nfs/dbraw/zinc/87/08/60/1378870860.db2.gz IYHMQAHDKRFUBU-HOTGVXAUSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583107 1378870944 /nfs/dbraw/zinc/87/09/44/1378870944.db2.gz JISWMIWGSQSNAV-DLBZAZTESA-N 2 0 333.520 3.281 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146602362 1378875494 /nfs/dbraw/zinc/87/54/94/1378875494.db2.gz SITYRBUWBOMEFF-SJORKVTESA-N 2 0 337.552 3.170 20 0 EGADRP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754061094 1440536817 /nfs/dbraw/zinc/53/68/17/1440536817.db2.gz GQOKTDWDYBAWAA-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CC1(C)CCC(C[NH2+]CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001147338555 1379006569 /nfs/dbraw/zinc/00/65/69/1379006569.db2.gz ASTSVAWIMIIAQP-UHFFFAOYSA-N 2 0 349.563 3.031 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001147348162 1379007491 /nfs/dbraw/zinc/00/74/91/1379007491.db2.gz GCTMLRIESUEYLL-FNUUXAGOSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(CC)c1 ZINC001147359167 1379008713 /nfs/dbraw/zinc/00/87/13/1379008713.db2.gz MZIDORIPSQUDKJ-FQEVSTJZSA-N 2 0 345.531 3.109 20 0 EGADRP CC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C3CCCCC3)cc2C1 ZINC001327695266 1388584026 /nfs/dbraw/zinc/58/40/26/1388584026.db2.gz GDILDZIPWQUPSH-UHFFFAOYSA-N 2 0 343.515 3.293 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+]CC1CCCCCC1)c1ccccc1 ZINC001147410762 1379016361 /nfs/dbraw/zinc/01/63/61/1379016361.db2.gz VBRFQCZJEHQHTH-NRFANRHFSA-N 2 0 345.531 3.140 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1ccc(C)cc1 ZINC001147449427 1379023613 /nfs/dbraw/zinc/02/36/13/1379023613.db2.gz RJSXXQZFCZPVID-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147836603 1379089404 /nfs/dbraw/zinc/08/94/04/1379089404.db2.gz ZPCUUHQTWZOOHE-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001147893530 1379098322 /nfs/dbraw/zinc/09/83/22/1379098322.db2.gz RFUKKAGSLULYGL-DLBZAZTESA-N 2 0 345.531 3.093 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148168317 1379127914 /nfs/dbraw/zinc/12/79/14/1379127914.db2.gz PTZOWBWJACGJBO-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2)[NH+](CC)CC ZINC001148286340 1379146264 /nfs/dbraw/zinc/14/62/64/1379146264.db2.gz WTOWPLITIUBOQB-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCC1CCCCCC1)C2 ZINC001148651504 1379234230 /nfs/dbraw/zinc/23/42/30/1379234230.db2.gz HCSDOSASHBEPGY-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCC1CCCC1 ZINC001284133124 1379518212 /nfs/dbraw/zinc/51/82/12/1379518212.db2.gz YZOVMRVNZMZCLF-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)[C@H]1C ZINC001284152559 1379548045 /nfs/dbraw/zinc/54/80/45/1379548045.db2.gz IIDMBOXNATZAJR-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152149314 1379872085 /nfs/dbraw/zinc/87/20/85/1379872085.db2.gz XDAYHZIUIPXDFJ-IAGOWNOFSA-N 2 0 343.515 3.033 20 0 EGADRP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391831 1379926354 /nfs/dbraw/zinc/92/63/54/1379926354.db2.gz GQUSBCFOVXXBLM-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313421 1380054035 /nfs/dbraw/zinc/05/40/35/1380054035.db2.gz QIZXDAOJTXDUMV-VQIMIIECSA-N 2 0 349.494 3.025 20 0 EGADRP CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677655 1380113284 /nfs/dbraw/zinc/11/32/84/1380113284.db2.gz LWIFHZFPAOUMQC-FWPCIQOSSA-N 2 0 343.924 3.002 20 0 EGADRP CC[N@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824168 1380137764 /nfs/dbraw/zinc/13/77/64/1380137764.db2.gz NGWWMWMBNOTRIA-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880060 1380149192 /nfs/dbraw/zinc/14/91/92/1380149192.db2.gz VOPJTQXSRZPBMC-TYFAACHXSA-N 2 0 337.552 3.434 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990418 1380171506 /nfs/dbraw/zinc/17/15/06/1380171506.db2.gz DUKPCGGNOAEAFD-IHHMQQGQSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034203 1380187437 /nfs/dbraw/zinc/18/74/37/1380187437.db2.gz VODZNJUEPRZVIO-FDCNMECVSA-N 2 0 343.515 3.011 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083037 1380202213 /nfs/dbraw/zinc/20/22/13/1380202213.db2.gz CZMCJOKYXDOTHM-GOSISDBHSA-N 2 0 348.535 3.315 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116298 1380211863 /nfs/dbraw/zinc/21/18/63/1380211863.db2.gz GSJQVZNQYRVMMB-XITLMJRVSA-N 2 0 342.487 3.439 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178719 1380221894 /nfs/dbraw/zinc/22/18/94/1380221894.db2.gz NDPUCXGQVKADAP-OAHLLOKOSA-N 2 0 330.476 3.211 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154463976 1380282610 /nfs/dbraw/zinc/28/26/10/1380282610.db2.gz AIHCRHYMZKYYGH-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464760 1380283189 /nfs/dbraw/zinc/28/31/89/1380283189.db2.gz WTSKSONGNLYLEC-GOSISDBHSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263582 1380430204 /nfs/dbraw/zinc/43/02/04/1380430204.db2.gz RQNSKGVULLXVES-QGZVFWFLSA-N 2 0 337.552 3.291 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(Cl)s1)[NH+](C)C ZINC001155289173 1380434053 /nfs/dbraw/zinc/43/40/53/1380434053.db2.gz MRLLFIZNWYKZGE-OCCSQVGLSA-N 2 0 345.940 3.068 20 0 EGADRP [NH3+]C1CCN(c2cccc(N3CCc4c5ccccc5oc4C3)[nH+]2)CC1 ZINC001155510820 1380462855 /nfs/dbraw/zinc/46/28/55/1380462855.db2.gz BEFOLSAFUWJPJI-UHFFFAOYSA-N 2 0 348.450 3.318 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001155813732 1380494335 /nfs/dbraw/zinc/49/43/35/1380494335.db2.gz UKPWMVYFCQVTGB-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@H+](CC)CC[C@@H](C)F ZINC001156319193 1380557925 /nfs/dbraw/zinc/55/79/25/1380557925.db2.gz PUGQJGXLHOIBSX-QZTJIDSGSA-N 2 0 345.547 3.463 20 0 EGADRP [NH3+]Cc1nn(-c2nc(Cl)ccc2C[NH+]2CCCC2)c2ccccc12 ZINC001156860219 1380700293 /nfs/dbraw/zinc/70/02/93/1380700293.db2.gz BKPYIINEPKNRJC-UHFFFAOYSA-N 2 0 341.846 3.128 20 0 EGADRP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156889715 1380719527 /nfs/dbraw/zinc/71/95/27/1380719527.db2.gz CSOLSBXBYCCNQF-MJGOQNOKSA-N 2 0 345.531 3.088 20 0 EGADRP Cc1nc(-c2ccccc2Cl)nc(NC(=[NH2+])NCCCC[NH3+])c1C ZINC001157099092 1380775354 /nfs/dbraw/zinc/77/53/54/1380775354.db2.gz KJRSLNVGVIQTSG-UHFFFAOYSA-N 2 0 346.866 3.089 20 0 EGADRP CC[N@H+](Cc1cc2ccccc2o1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109283 1380776952 /nfs/dbraw/zinc/77/69/52/1380776952.db2.gz LHVXHDKBSHOFDW-MRXNPFEDSA-N 2 0 345.487 3.100 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109697 1380777632 /nfs/dbraw/zinc/77/76/32/1380777632.db2.gz RKLDGCZAZOUGTM-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109689 1380778031 /nfs/dbraw/zinc/77/80/31/1380778031.db2.gz RASZYGIVHNBKAI-PSUNPMBVSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157119306 1380781334 /nfs/dbraw/zinc/78/13/34/1380781334.db2.gz UGEYABTUNMMVHY-ZUQFGZKASA-N 2 0 343.943 3.076 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256732 1380825163 /nfs/dbraw/zinc/82/51/63/1380825163.db2.gz VYTMYZUWFQNSET-QZTJIDSGSA-N 2 0 325.541 3.125 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702573 1381008566 /nfs/dbraw/zinc/00/85/66/1381008566.db2.gz XXLILQUNNBSHQB-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cc(N(c2cc3[nH]ccc3c(C)[nH+]2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158390823 1381229460 /nfs/dbraw/zinc/22/94/60/1381229460.db2.gz BLBKEFGSABTUPD-UHFFFAOYSA-N 2 0 336.443 3.168 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158446164 1381248528 /nfs/dbraw/zinc/24/85/28/1381248528.db2.gz VTZIUWCNIYULHF-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158474274 1381257384 /nfs/dbraw/zinc/25/73/84/1381257384.db2.gz VYMCKZSAESTZRL-IEBWSBKVSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158473912 1381257675 /nfs/dbraw/zinc/25/76/75/1381257675.db2.gz QEGFABPCMYESGT-ASIGSXEYSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1)[NH+](CC)CC ZINC001158491106 1381266640 /nfs/dbraw/zinc/26/66/40/1381266640.db2.gz JOAICNIWOGEAIJ-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158604823 1381316307 /nfs/dbraw/zinc/31/63/07/1381316307.db2.gz BYHWJOOLNADIGX-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158645930 1381335753 /nfs/dbraw/zinc/33/57/53/1381335753.db2.gz DPKMZMGVEPMUQV-KKHYBRAUSA-N 2 0 349.563 3.388 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768552 1381390670 /nfs/dbraw/zinc/39/06/70/1381390670.db2.gz WXXQWKFXHRKOBI-LJQANCHMSA-N 2 0 339.568 3.467 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001158768345 1381391385 /nfs/dbraw/zinc/39/13/85/1381391385.db2.gz SXPPAFRCKAFYCJ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC(CC)CC ZINC001158787146 1381398498 /nfs/dbraw/zinc/39/84/98/1381398498.db2.gz LHBQUYBVHNYOOY-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP C[N@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949339 1381480915 /nfs/dbraw/zinc/48/09/15/1381480915.db2.gz LHSQHKGLPFVOIF-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(OCC[NH3+])c2)C1 ZINC001159389590 1381783265 /nfs/dbraw/zinc/78/32/65/1381783265.db2.gz KYSPXEHUZUHJEQ-HRCADAONSA-N 2 0 340.471 3.394 20 0 EGADRP c1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)ccc1CN1CC[NH2+]CC1 ZINC001159567977 1381831640 /nfs/dbraw/zinc/83/16/40/1381831640.db2.gz WSZOWKBAGJFMAX-NRFANRHFSA-N 2 0 340.515 3.036 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3ccc4c(c3)C[NH2+]CC4)cc2)CC1 ZINC001159616162 1381849700 /nfs/dbraw/zinc/84/97/00/1381849700.db2.gz SHCGEHAJGUWCPP-UHFFFAOYSA-N 2 0 336.483 3.218 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC001159838223 1381917193 /nfs/dbraw/zinc/91/71/93/1381917193.db2.gz JVPSSWXQWRSEQS-QUCCMNQESA-N 2 0 345.531 3.130 20 0 EGADRP Clc1cc(Nc2ccc3c[nH+]cn3c2)ccc1N1CC[NH2+]CC1 ZINC001159863866 1381924014 /nfs/dbraw/zinc/92/40/14/1381924014.db2.gz OTDRSDVZLWCDFM-UHFFFAOYSA-N 2 0 327.819 3.141 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001159909788 1381934059 /nfs/dbraw/zinc/93/40/59/1381934059.db2.gz NFYOOBPPZHNZGI-VQIMIIECSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001159907579 1381934101 /nfs/dbraw/zinc/93/41/01/1381934101.db2.gz AMNPPNWXRSMTSR-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001159908739 1381934455 /nfs/dbraw/zinc/93/44/55/1381934455.db2.gz JLFSYGIXUSKZOP-MJGOQNOKSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001159909243 1381934658 /nfs/dbraw/zinc/93/46/58/1381934658.db2.gz MCCHRHAGVPKJSJ-AZUAARDMSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)cc1 ZINC001159922954 1381938411 /nfs/dbraw/zinc/93/84/11/1381938411.db2.gz BILWXXSKEKWRHJ-JXFKEZNVSA-N 2 0 345.531 3.307 20 0 EGADRP [NH3+]C1CCN(c2ccc(F)cc2Nc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001160079931 1381991396 /nfs/dbraw/zinc/99/13/96/1381991396.db2.gz RKBHIFXNWAPEJX-UHFFFAOYSA-N 2 0 340.446 3.143 20 0 EGADRP Nc1c(F)cccc1N(CC1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]C2 ZINC001160082368 1381992205 /nfs/dbraw/zinc/99/22/05/1381992205.db2.gz UJRUTXNWNHXEBW-UHFFFAOYSA-N 2 0 340.446 3.149 20 0 EGADRP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160285552 1382061233 /nfs/dbraw/zinc/06/12/33/1382061233.db2.gz HKTJVSPYCGSMBD-RRFGBZISSA-N 2 0 347.547 3.356 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160359781 1382082867 /nfs/dbraw/zinc/08/28/67/1382082867.db2.gz ALZPKYDIDXKNPI-PXDRNWIDSA-N 2 0 347.547 3.211 20 0 EGADRP c1ccc(C[N@H+]2CC=C(Nc3cccc4c3[C@H]3C[NH2+]C[C@@H]3O4)CC2)cc1 ZINC001160397368 1382093618 /nfs/dbraw/zinc/09/36/18/1382093618.db2.gz XTPPXDGBFHMLEE-RXVVDRJESA-N 2 0 347.462 3.336 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001160468717 1382115634 /nfs/dbraw/zinc/11/56/34/1382115634.db2.gz FUGZLICHYVYULS-QKDCVEJESA-N 2 0 349.910 3.024 20 0 EGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328491635 1388762854 /nfs/dbraw/zinc/76/28/54/1388762854.db2.gz HRERSSWQXYBCNV-CYBMUJFWSA-N 2 0 332.473 3.325 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001160499502 1382123781 /nfs/dbraw/zinc/12/37/81/1382123781.db2.gz FCHKUQIDKLRWOO-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001160518238 1382129068 /nfs/dbraw/zinc/12/90/68/1382129068.db2.gz LOUWTPMQWSGJHF-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001160518552 1382129622 /nfs/dbraw/zinc/12/96/22/1382129622.db2.gz NRDDJLVVXNTBFH-UHFFFAOYSA-N 2 0 337.552 3.291 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160682460 1382168871 /nfs/dbraw/zinc/16/88/71/1382168871.db2.gz ARSAFAZQRSAYSX-UHFFFAOYSA-N 2 0 340.471 3.277 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160870577 1382219703 /nfs/dbraw/zinc/21/97/03/1382219703.db2.gz ZLVMAECNMTYQMG-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2=CC[N@H+](CC3CCCCC3)CC2)CC1 ZINC001161027992 1382276995 /nfs/dbraw/zinc/27/69/95/1382276995.db2.gz CYEDVSLHPDCRNA-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2=CC[N@H+](CCCC3CCC3)CC2)CC1 ZINC001161029020 1382277091 /nfs/dbraw/zinc/27/70/91/1382277091.db2.gz KCHJFLZJNCPHEX-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP COc1cccc(C[N@@H+]2CC[C@H](Nc3[nH+]ccc4c3ccn4C)C2)c1 ZINC001161187964 1382333981 /nfs/dbraw/zinc/33/39/81/1382333981.db2.gz MUIAZSDHWNRHHW-INIZCTEOSA-N 2 0 336.439 3.268 20 0 EGADRP CC(C)(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219673 1382346827 /nfs/dbraw/zinc/34/68/27/1382346827.db2.gz KKKXMFODALEKGT-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)C1 ZINC001161220095 1382347239 /nfs/dbraw/zinc/34/72/39/1382347239.db2.gz TZLHJYMCHROLRL-GOSISDBHSA-N 2 0 347.547 3.047 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001161251347 1382354233 /nfs/dbraw/zinc/35/42/33/1382354233.db2.gz PQORAYXHJADKJN-UHFFFAOYSA-N 2 0 333.520 3.136 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444929 1382413564 /nfs/dbraw/zinc/41/35/64/1382413564.db2.gz MUZOZKIVKFVNBT-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP COc1ccc2c(cc[nH+]c2N2CCC([NH3+])(c3cccnc3)CC2)c1 ZINC001161582711 1382447165 /nfs/dbraw/zinc/44/71/65/1382447165.db2.gz FERQKGPWGJYEMS-UHFFFAOYSA-N 2 0 334.423 3.093 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705741 1382485637 /nfs/dbraw/zinc/48/56/37/1382485637.db2.gz XGKLETAQPYDGKD-WOJBJXKFSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](Cc2csc(C)c2)CC1 ZINC001161755419 1382496010 /nfs/dbraw/zinc/49/60/10/1382496010.db2.gz WIPHDISQRWSSER-UHFFFAOYSA-N 2 0 349.544 3.037 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)c1ccc(F)cc1 ZINC001161795465 1382508120 /nfs/dbraw/zinc/50/81/20/1382508120.db2.gz JQPSDFGOVTTWPA-GOSISDBHSA-N 2 0 347.478 3.001 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161953610 1382569492 /nfs/dbraw/zinc/56/94/92/1382569492.db2.gz XOLZCQJPYISVCN-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1c[nH+]c2cccc(Br)n12 ZINC001162465170 1382765605 /nfs/dbraw/zinc/76/56/05/1382765605.db2.gz DEANQITWKMLHFU-NEPJUHHUSA-N 2 0 337.265 3.144 20 0 EGADRP C[C@@H]1C[C@@H](CNc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)C[NH2+]1 ZINC001162556496 1382788775 /nfs/dbraw/zinc/78/87/75/1382788775.db2.gz GNLSBDVSWCYNIZ-HZPDHXFCSA-N 2 0 326.488 3.216 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001328693174 1388810632 /nfs/dbraw/zinc/81/06/32/1388810632.db2.gz DXTNVCIZYUGEFG-HSALFYBXSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH+](C)Cc1ccnc(-n2cc(CC[NH3+])c3c2cccc3Cl)c1 ZINC001162660691 1382824719 /nfs/dbraw/zinc/82/47/19/1382824719.db2.gz JIABATNKOFEHPK-UHFFFAOYSA-N 2 0 328.847 3.242 20 0 EGADRP Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)n1 ZINC001162904310 1382911299 /nfs/dbraw/zinc/91/12/99/1382911299.db2.gz VNXQBJXVIGUWTH-DYVFJYSZSA-N 2 0 335.455 3.216 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163223979 1382997754 /nfs/dbraw/zinc/99/77/54/1382997754.db2.gz PMXFGVJCBHUHGB-XLIONFOSSA-N 2 0 343.515 3.026 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CCC2CCCCC2)CCCC1 ZINC001163290637 1383013145 /nfs/dbraw/zinc/01/31/45/1383013145.db2.gz MHJJELKPXBUXKS-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1F ZINC001163289899 1383013264 /nfs/dbraw/zinc/01/32/64/1383013264.db2.gz GNCXJXRCVDBKQY-UZLBHIALSA-N 2 0 349.494 3.238 20 0 EGADRP Cc1cc(N[C@H](C)C[NH+](C)C)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001163770814 1383120353 /nfs/dbraw/zinc/12/03/53/1383120353.db2.gz SCEQEFDOWUFKDD-QGZVFWFLSA-N 2 0 338.499 3.310 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001164449392 1383187921 /nfs/dbraw/zinc/18/79/21/1383187921.db2.gz KCUMOXODNHTABM-FQEVSTJZSA-N 2 0 345.531 3.021 20 0 EGADRP C[NH+]1CCC(C2CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)CC1 ZINC001165066247 1383221306 /nfs/dbraw/zinc/22/13/06/1383221306.db2.gz YVOWQLPZMKAFNM-UHFFFAOYSA-N 2 0 328.504 3.240 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001165203626 1383249033 /nfs/dbraw/zinc/24/90/33/1383249033.db2.gz ZOEZATPOKRWDTM-ROUUACIJSA-N 2 0 347.466 3.367 20 0 EGADRP C[NH+]1CCC(COc2ccc(F)cc2NC=CC2CC[NH2+]CC2)CC1 ZINC001165213531 1383249442 /nfs/dbraw/zinc/24/94/42/1383249442.db2.gz PBMXPTQKMSLYAP-WDZFZDKYSA-N 2 0 347.478 3.472 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccc(F)c2O[C@H]2CC[NH2+]C2)c1 ZINC001165213702 1383249972 /nfs/dbraw/zinc/24/99/72/1383249972.db2.gz USSYWYRDZJAPKE-INIZCTEOSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cccc(F)c1O[C@H]1CC[NH2+]C1 ZINC001165213659 1383250465 /nfs/dbraw/zinc/25/04/65/1383250465.db2.gz LLBNTHXSGCZAJA-HNNXBMFYSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(F)(F)C(C)(C)C3)c2)CC1 ZINC001165215952 1383251004 /nfs/dbraw/zinc/25/10/04/1383251004.db2.gz GGTZDTMCMANUCZ-UHFFFAOYSA-N 2 0 339.430 3.426 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001165279315 1383265041 /nfs/dbraw/zinc/26/50/41/1383265041.db2.gz SOAIETUAWKURFC-KRWDZBQOSA-N 2 0 327.516 3.398 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165333623 1383276078 /nfs/dbraw/zinc/27/60/78/1383276078.db2.gz RPOJFNBODZXBJM-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165492651 1383303289 /nfs/dbraw/zinc/30/32/89/1383303289.db2.gz XWDGXQRSQRXKIA-AATRIKPKSA-N 2 0 335.536 3.093 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165711952 1383330880 /nfs/dbraw/zinc/33/08/80/1383330880.db2.gz YJLVQTZWFROGFB-ONEGZZNKSA-N 2 0 347.547 3.095 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165765071 1383342638 /nfs/dbraw/zinc/34/26/38/1383342638.db2.gz XPVQCFAHYBHTFK-QWNKOJSDSA-N 2 0 335.536 3.093 20 0 EGADRP O=C(NCCC1(C[NH2+]CCCC2CCC2)CC1)C12CCC[NH+]1CCC2 ZINC001165967927 1383372075 /nfs/dbraw/zinc/37/20/75/1383372075.db2.gz PHYCVOSVAVPQBR-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)CCCC1 ZINC001166403681 1383419294 /nfs/dbraw/zinc/41/92/94/1383419294.db2.gz LUPQVHPEWOKFLW-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1sccc1Cl)[NH+](CC)CC ZINC001166425959 1383421058 /nfs/dbraw/zinc/42/10/58/1383421058.db2.gz XWKMQYBMBSMZNE-CQSZACIVSA-N 2 0 345.940 3.118 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC/C=C\c1ccccc1)[NH+](CC)CC ZINC001166448537 1383423800 /nfs/dbraw/zinc/42/38/00/1383423800.db2.gz VLLNDOXNICLHEP-ZRGSNEMSSA-N 2 0 345.531 3.306 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001166881666 1383493028 /nfs/dbraw/zinc/49/30/28/1383493028.db2.gz GJOVLVINPGKOFV-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001166978791 1383508231 /nfs/dbraw/zinc/50/82/31/1383508231.db2.gz BBELJBYSPFOVRE-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001167232779 1383571033 /nfs/dbraw/zinc/57/10/33/1383571033.db2.gz PMNQJMPCXBYRIX-GOSISDBHSA-N 2 0 349.563 3.175 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)CC1 ZINC001167523262 1383657795 /nfs/dbraw/zinc/65/77/95/1383657795.db2.gz UXNLCSPMYFUWEX-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1cccc(F)c1 ZINC001167620925 1383690473 /nfs/dbraw/zinc/69/04/73/1383690473.db2.gz VKUKZNKSLHAKOT-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627214 1383692855 /nfs/dbraw/zinc/69/28/55/1383692855.db2.gz MBMYXLLBKUJDBH-HXUWFJFHSA-N 2 0 345.531 3.162 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001167812522 1383746520 /nfs/dbraw/zinc/74/65/20/1383746520.db2.gz OKIWQRCFYATOGG-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC001167824084 1383749672 /nfs/dbraw/zinc/74/96/72/1383749672.db2.gz BXIYKHLFPOSZPI-LJQANCHMSA-N 2 0 347.547 3.323 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001167837907 1383754887 /nfs/dbraw/zinc/75/48/87/1383754887.db2.gz NSBANRKPXKDZSZ-OAHLLOKOSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)OC(=O)c1ncccc12 ZINC001167840054 1383756088 /nfs/dbraw/zinc/75/60/88/1383756088.db2.gz DLECYHNIPBVNAR-MRXNPFEDSA-N 2 0 345.487 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)OC(=O)c1ccncc12 ZINC001167840130 1383756185 /nfs/dbraw/zinc/75/61/85/1383756185.db2.gz DYOGXIAXXOHSAT-MRXNPFEDSA-N 2 0 345.487 3.054 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1cc(C(F)(F)F)c2c(n1)CCCCC2 ZINC001167880605 1383764184 /nfs/dbraw/zinc/76/41/84/1383764184.db2.gz RCLWUYVAUOANGK-UHFFFAOYSA-N 2 0 343.397 3.044 20 0 EGADRP Oc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167981883 1383787087 /nfs/dbraw/zinc/78/70/87/1383787087.db2.gz NYZGOUGZSQJIPI-YQQQUEKLSA-N 2 0 326.484 3.462 20 0 EGADRP CCCCOC(=O)[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002800 1383793399 /nfs/dbraw/zinc/79/33/99/1383793399.db2.gz YMGRCSUSWVXZAU-HTUJPFKRSA-N 2 0 334.504 3.057 20 0 EGADRP Cn1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)n1 ZINC001168004356 1383793789 /nfs/dbraw/zinc/79/37/89/1383793789.db2.gz UQOBXIBHCLVCRM-DFNIBXOVSA-N 2 0 328.504 3.005 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001168029138 1383800513 /nfs/dbraw/zinc/80/05/13/1383800513.db2.gz CRUOMZQDMSHCAW-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CC([NH+]2CC3(C2)CC[NH+](C)CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059487 1383807414 /nfs/dbraw/zinc/80/74/14/1383807414.db2.gz UEFPMTJTSFJYCA-RTBURBONSA-N 3 0 341.543 3.456 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC001168162349 1383829487 /nfs/dbraw/zinc/82/94/87/1383829487.db2.gz JENANYAOOBMIJJ-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001168162207 1383829820 /nfs/dbraw/zinc/82/98/20/1383829820.db2.gz HCIYNPQQIMNNTB-GOSISDBHSA-N 2 0 343.515 3.028 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001168198041 1383841732 /nfs/dbraw/zinc/84/17/32/1383841732.db2.gz GNOOWMNZSQRIOP-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]C2CCC([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001168290602 1383864412 /nfs/dbraw/zinc/86/44/12/1383864412.db2.gz QHCKHWZKHOJTLY-XNIRIUNOSA-N 2 0 339.524 3.094 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC001168298281 1383866624 /nfs/dbraw/zinc/86/66/24/1383866624.db2.gz KALSMFRLDZGPNZ-UHFFFAOYSA-N 2 0 344.503 3.145 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168302398 1383867619 /nfs/dbraw/zinc/86/76/19/1383867619.db2.gz RKSZFYAIOKQJLW-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cn(Cc3ccc(F)cc3)cn2)CC1 ZINC001168305722 1383868277 /nfs/dbraw/zinc/86/82/77/1383868277.db2.gz LIENGTPNXKRASI-UHFFFAOYSA-N 2 0 330.451 3.033 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320650 1383872242 /nfs/dbraw/zinc/87/22/42/1383872242.db2.gz IIFBNQODDMYDEW-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCN(c3nccc4ccccc43)CC2)CC1 ZINC001168323771 1383873091 /nfs/dbraw/zinc/87/30/91/1383873091.db2.gz CHHDSHOJUZGOCA-UHFFFAOYSA-N 2 0 338.499 3.230 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327226 1383873880 /nfs/dbraw/zinc/87/38/80/1383873880.db2.gz ZWLVSKLDQYDXLM-VOFKWLDRSA-N 2 0 349.563 3.339 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)[NH+]1CCCC1 ZINC001168327144 1383874297 /nfs/dbraw/zinc/87/42/97/1383874297.db2.gz SMDIRPDZXFWINC-CTWPCTMYSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001168330256 1383875418 /nfs/dbraw/zinc/87/54/18/1383875418.db2.gz NYIYCWSEIIJAQF-CBNMVNINSA-N 2 0 329.532 3.456 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335286 1383875829 /nfs/dbraw/zinc/87/58/29/1383875829.db2.gz GZVUPXKPLJFRBK-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+]1CCN(CC[NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168333859 1383876357 /nfs/dbraw/zinc/87/63/57/1383876357.db2.gz FBLVNIMEUYWJFE-UHFFFAOYSA-N 2 0 335.923 3.203 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001168344941 1383878908 /nfs/dbraw/zinc/87/89/08/1383878908.db2.gz GODLHLQNUWYQCI-LJQANCHMSA-N 2 0 345.531 3.354 20 0 EGADRP Fc1ccc(CC2([NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)cc1 ZINC001168364635 1383884432 /nfs/dbraw/zinc/88/44/32/1383884432.db2.gz GDZQXKDNRYTTTB-UHFFFAOYSA-N 2 0 346.490 3.381 20 0 EGADRP COc1ccccc1[C@H](O)C[N@H+](C(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168387314 1383892058 /nfs/dbraw/zinc/89/20/58/1383892058.db2.gz CMWLQLBMWTUPNJ-HXUWFJFHSA-N 2 0 346.515 3.313 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001168455666 1383910970 /nfs/dbraw/zinc/91/09/70/1383910970.db2.gz HUXVYFUMZBVJFX-MRXNPFEDSA-N 2 0 330.447 3.487 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168499231 1383924309 /nfs/dbraw/zinc/92/43/09/1383924309.db2.gz YAIJRHYRLFTLEQ-IBGZPJMESA-N 2 0 349.538 3.496 20 0 EGADRP COc1cc[nH+]c(N([C@@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001168501526 1383925701 /nfs/dbraw/zinc/92/57/01/1383925701.db2.gz SABHBRRZLLNCCD-HNNXBMFYSA-N 2 0 343.446 3.419 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH+]3CCC(C[NH+](C)C)CC3)CCO2)cc1 ZINC001168652741 1383959151 /nfs/dbraw/zinc/95/91/51/1383959151.db2.gz JIFDJBMLOWCTFQ-UYAOXDASSA-N 2 0 332.488 3.189 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)cc1 ZINC001168653527 1383959746 /nfs/dbraw/zinc/95/97/46/1383959746.db2.gz VXAFMHXGLRSMEL-HXUWFJFHSA-N 2 0 347.547 3.211 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)C(C)C ZINC001168666923 1383964795 /nfs/dbraw/zinc/96/47/95/1383964795.db2.gz NCDOUDBSJFNFFJ-QZTJIDSGSA-N 2 0 327.557 3.131 20 0 EGADRP COc1ccc([C@H]2C[C@H]([N@@H+]3CCC4(C3)CC[NH+](C)CC4)CCO2)cc1 ZINC001168666900 1383964852 /nfs/dbraw/zinc/96/48/52/1383964852.db2.gz YMLUWPYBKXLZIC-UYAOXDASSA-N 2 0 344.499 3.333 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC001307421527 1383986668 /nfs/dbraw/zinc/98/66/68/1383986668.db2.gz UDRXJWMOGANAEC-RTBURBONSA-N 2 0 338.536 3.410 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001168840587 1384028679 /nfs/dbraw/zinc/02/86/79/1384028679.db2.gz VFLAGCQVNMNIMS-NCOADZHNSA-N 2 0 339.524 3.093 20 0 EGADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1cc(CC[NH3+])cn1 ZINC001168952280 1384069700 /nfs/dbraw/zinc/06/97/00/1384069700.db2.gz IJUAFONKGUZUES-UHFFFAOYSA-N 2 0 340.393 3.234 20 0 EGADRP [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ccccc1CC[NH3+] ZINC001168999240 1384082947 /nfs/dbraw/zinc/08/29/47/1384082947.db2.gz IAMZXDDIFJVNBH-UHFFFAOYSA-N 2 0 328.847 3.071 20 0 EGADRP Cc1ccc(F)cc1CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169109126 1384108406 /nfs/dbraw/zinc/10/84/06/1384108406.db2.gz HUEXHKFTWZDAHU-MZADTFQBSA-N 2 0 345.506 3.313 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3F)CC1)C2 ZINC001169111280 1384108799 /nfs/dbraw/zinc/10/87/99/1384108799.db2.gz OKVJMGZOAHAWDF-OWZKRDHZSA-N 3 0 345.506 3.253 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cc(F)ccc3F)CC1)C2 ZINC001169109448 1384108918 /nfs/dbraw/zinc/10/89/18/1384108918.db2.gz IOJWIHJOLHQCHI-REPLKXPHSA-N 2 0 349.469 3.144 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(OCc3ccccc3F)CC1)C2 ZINC001169140203 1384112439 /nfs/dbraw/zinc/11/24/39/1384112439.db2.gz IVVDAEAKGRPUOP-BCDXTJNWSA-N 2 0 332.463 3.432 20 0 EGADRP COc1ccccc1S[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169156704 1384116876 /nfs/dbraw/zinc/11/68/76/1384116876.db2.gz ZLQKBOGZZOGBHB-LTIDMASMSA-N 2 0 332.513 3.487 20 0 EGADRP Cc1nn2c(C[NH2+]CC3CC[NH+](CCC(C)C)CC3)c(C)nc2s1 ZINC001308297251 1384117540 /nfs/dbraw/zinc/11/75/40/1384117540.db2.gz QQOBFWRHSDVFNK-UHFFFAOYSA-N 2 0 349.548 3.255 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(-n3ncc4c3cccc4C[NH3+])c(C)c2)CC1 ZINC001169191001 1384121320 /nfs/dbraw/zinc/12/13/20/1384121320.db2.gz DKVRSFTZKGTOJD-UHFFFAOYSA-N 2 0 347.466 3.297 20 0 EGADRP Cc1ccc2ncc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2c1 ZINC001308368617 1384122378 /nfs/dbraw/zinc/12/23/78/1384122378.db2.gz YRACMMCQHOAQGJ-DLBZAZTESA-N 2 0 326.488 3.385 20 0 EGADRP CC[NH+]1CCC(N2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249361 1384127469 /nfs/dbraw/zinc/12/74/69/1384127469.db2.gz HQXVAOYAWINJSY-HXUWFJFHSA-N 2 0 345.531 3.440 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](C1CCC(OC(=O)c3ccccc3)CC1)CC2 ZINC001169305809 1384134646 /nfs/dbraw/zinc/13/46/46/1384134646.db2.gz QBVGDWZRQPBNEV-UHFFFAOYSA-N 2 0 342.483 3.182 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)ccc3NC)CC2)CC1 ZINC001308822804 1384152535 /nfs/dbraw/zinc/15/25/35/1384152535.db2.gz IXOLSPJTOLMTBA-UHFFFAOYSA-N 2 0 344.547 3.029 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@H](C)C3)C[C@H]2C)C1 ZINC001169511527 1384155496 /nfs/dbraw/zinc/15/54/96/1384155496.db2.gz WIYPPXMGCJGXKP-HMPJBZRESA-N 2 0 349.563 3.155 20 0 EGADRP CC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169593279 1384163142 /nfs/dbraw/zinc/16/31/42/1384163142.db2.gz DYHXKVXYLLZVPA-NJDAHSKKSA-N 2 0 343.515 3.078 20 0 EGADRP CCOC(=O)N1CCC[C@H]([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169669491 1384170874 /nfs/dbraw/zinc/17/08/74/1384170874.db2.gz PVYYODMMWOXVKG-SZMVWBNQSA-N 2 0 337.508 3.122 20 0 EGADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169756312 1384183095 /nfs/dbraw/zinc/18/30/95/1384183095.db2.gz HZNQCXRYBFOCPG-ICSRJNTNSA-N 2 0 343.515 3.132 20 0 EGADRP C1=CC[C@@H](C[NH+]2CCC([NH2+][C@H]3CCCC4(C3)OCCO4)CC2)CC1 ZINC001169937178 1384201646 /nfs/dbraw/zinc/20/16/46/1384201646.db2.gz VJCFFWVWALNXHW-MJGOQNOKSA-N 2 0 334.504 3.082 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169941482 1384201879 /nfs/dbraw/zinc/20/18/79/1384201879.db2.gz VTUXDOJRCXCKHL-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@@H]1C[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CCO1 ZINC001170221413 1384268730 /nfs/dbraw/zinc/26/87/30/1384268730.db2.gz ORTKGFQVIBGKJU-WOJBJXKFSA-N 2 0 343.515 3.327 20 0 EGADRP CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001170481892 1384327466 /nfs/dbraw/zinc/32/74/66/1384327466.db2.gz XTKXBZRFYAEWDB-FPOVZHCZSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170753915 1384379689 /nfs/dbraw/zinc/37/96/89/1384379689.db2.gz SXFAQZQBKYXMNL-BKZNIZDZSA-N 2 0 332.532 3.101 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001170784828 1384384443 /nfs/dbraw/zinc/38/44/43/1384384443.db2.gz LLVJMRCXCDDVBV-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001170784187 1384384594 /nfs/dbraw/zinc/38/45/94/1384384594.db2.gz GETCROSSEQPQQO-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170815952 1384391037 /nfs/dbraw/zinc/39/10/37/1384391037.db2.gz CIDYOYWHBHDXBK-VQIMIIECSA-N 2 0 337.552 3.029 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CCCOCC4)CC[C@@H]3C2)cc1 ZINC001170846203 1384397865 /nfs/dbraw/zinc/39/78/65/1384397865.db2.gz YOWNRQYOJUUJJS-NJYVYQBISA-N 2 0 328.500 3.400 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]Cc1ccsc1 ZINC001170877462 1384403518 /nfs/dbraw/zinc/40/35/18/1384403518.db2.gz VIQNDIMCEYHBBN-UHFFFAOYSA-N 2 0 339.549 3.246 20 0 EGADRP Cc1ccc(-c2csc3ncnc(N[C@H]([NH3+])CCC[NH3+])c23)cc1C ZINC001170897300 1384407276 /nfs/dbraw/zinc/40/72/76/1384407276.db2.gz LYDGGEQCQZQFMP-HNNXBMFYSA-N 2 0 341.484 3.411 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1c(Cl)cc(OC(F)(F)F)cc1Cl ZINC001170903765 1384408314 /nfs/dbraw/zinc/40/83/14/1384408314.db2.gz KYIYACYCIOZBID-VIFPVBQESA-N 2 0 332.153 3.328 20 0 EGADRP Clc1cccc2c1C[C@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001170918236 1384411030 /nfs/dbraw/zinc/41/10/30/1384411030.db2.gz UYEOYHBJLOHBTM-QGZVFWFLSA-N 2 0 327.859 3.415 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170968256 1384420017 /nfs/dbraw/zinc/42/00/17/1384420017.db2.gz CGPHFWGMKYBROV-MRXNPFEDSA-N 2 0 335.511 3.158 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001171173685 1384460797 /nfs/dbraw/zinc/46/07/97/1384460797.db2.gz FSFNKDFBIADVPA-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171238895 1384477079 /nfs/dbraw/zinc/47/70/79/1384477079.db2.gz ZBYSRTODFRQSIO-RBUKOAKNSA-N 2 0 339.568 3.275 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247939 1384477607 /nfs/dbraw/zinc/47/76/07/1384477607.db2.gz PEJBAYVDDNQGGR-FUHWJXTLSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171247709 1384477676 /nfs/dbraw/zinc/47/76/76/1384477676.db2.gz NLTVMIDQMPNYCG-ROUUACIJSA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)(C)C1CCC(C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001171293851 1384487394 /nfs/dbraw/zinc/48/73/94/1384487394.db2.gz NIKATSSVWZLBPY-UHFFFAOYSA-N 2 0 349.563 3.031 20 0 EGADRP FC(F)(F)c1cnc(NC[C@H]2CCCC[NH2+]2)c(C2=CC[NH2+]CC2)c1 ZINC001171331166 1384496261 /nfs/dbraw/zinc/49/62/61/1384496261.db2.gz ZXZZHJONJOMYGY-CQSZACIVSA-N 2 0 340.393 3.031 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001171509439 1384546570 /nfs/dbraw/zinc/54/65/70/1384546570.db2.gz QGJQORKTTODPTJ-UYAOXDASSA-N 2 0 347.547 3.408 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171520836 1384549465 /nfs/dbraw/zinc/54/94/65/1384549465.db2.gz PWTHUNKGHKNNOL-MELADBBJSA-N 2 0 326.406 3.424 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(N3CC[NH+](C)CC3)c1)C2 ZINC001171549514 1384559687 /nfs/dbraw/zinc/55/96/87/1384559687.db2.gz BVXLRNMKMFFJKH-OAQYLSRUSA-N 2 0 349.522 3.394 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001171558095 1384562304 /nfs/dbraw/zinc/56/23/04/1384562304.db2.gz CLXBERLAAGRBEM-FQEVSTJZSA-N 2 0 342.527 3.333 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001171559151 1384562372 /nfs/dbraw/zinc/56/23/72/1384562372.db2.gz WWJDXFWXGBXMKZ-UFYCRDLUSA-N 2 0 328.500 3.085 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC[NH3+])C[C@H]1C(C)(C)C ZINC001171582893 1384571881 /nfs/dbraw/zinc/57/18/81/1384571881.db2.gz URCZZGKEHPGBSE-GJZGRUSLSA-N 2 0 327.513 3.129 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1(C)C ZINC001171625664 1384584186 /nfs/dbraw/zinc/58/41/86/1384584186.db2.gz MOTRJIWXKWUDNU-UHFFFAOYSA-N 2 0 344.547 3.287 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC1(C)C ZINC001171626280 1384584524 /nfs/dbraw/zinc/58/45/24/1384584524.db2.gz WNUURIXISSAOKY-UHFFFAOYSA-N 3 0 340.600 3.113 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CCN(C(=O)C3CCC3)CC2)CC1(C)C ZINC001171626009 1384584720 /nfs/dbraw/zinc/58/47/20/1384584720.db2.gz RYRSYDNUOAVOLL-UHFFFAOYSA-N 2 0 335.536 3.019 20 0 EGADRP Cc1c(C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)ccc2c[nH+]cn21 ZINC001171629358 1384585830 /nfs/dbraw/zinc/58/58/30/1384585830.db2.gz MOSVREUTAYUQMJ-OAHLLOKOSA-N 2 0 342.487 3.321 20 0 EGADRP CC(C)C(=O)N1CC[C@H]2C[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@@H]21 ZINC001171637255 1384587823 /nfs/dbraw/zinc/58/78/23/1384587823.db2.gz LLJFBSZCSKPTCI-WMZOPIPTSA-N 2 0 349.563 3.217 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171645925 1384590994 /nfs/dbraw/zinc/59/09/94/1384590994.db2.gz DDCDZJYRDBZEDO-NGXUEJOTSA-N 2 0 343.943 3.124 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@@H](C)CCc1ccc(C)cc1 ZINC001171675015 1384598890 /nfs/dbraw/zinc/59/88/90/1384598890.db2.gz PEGPDNYOTMYBRM-SFHVURJKSA-N 2 0 334.504 3.133 20 0 EGADRP C[C@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC001171731394 1384617435 /nfs/dbraw/zinc/61/74/35/1384617435.db2.gz AINPHKQRZLKPOK-BWUHRYBWSA-N 2 0 327.516 3.254 20 0 EGADRP C[C@@H]1C[C@H](n2cc(CC[NH3+])c3ncccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732876 1384618222 /nfs/dbraw/zinc/61/82/22/1384618222.db2.gz MCRXPFPOFQVGRH-APWZRJJASA-N 2 0 334.467 3.373 20 0 EGADRP C[C@@H]1C[C@H](N2CCC([NH3+])(CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171738234 1384621102 /nfs/dbraw/zinc/62/11/02/1384621102.db2.gz HZWYOIHGPYDNKL-XLIONFOSSA-N 2 0 327.516 3.243 20 0 EGADRP COc1ccc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1C[NH3+] ZINC001171740313 1384622015 /nfs/dbraw/zinc/62/20/15/1384622015.db2.gz JAKMRDKTKKHSCZ-KXBFYZLASA-N 2 0 325.456 3.229 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744835 1384623693 /nfs/dbraw/zinc/62/36/93/1384623693.db2.gz IHMJFDJTSGTUAS-QCFAMHMHSA-N 2 0 329.532 3.358 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171810681 1384645841 /nfs/dbraw/zinc/64/58/41/1384645841.db2.gz BBPGLLUZQASMFU-INIZCTEOSA-N 2 0 348.466 3.352 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]C2CC([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817010 1384649038 /nfs/dbraw/zinc/64/90/38/1384649038.db2.gz WMEBUCBACIEFPQ-VXSNREPFSA-N 2 0 325.497 3.022 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171924587 1384683920 /nfs/dbraw/zinc/68/39/20/1384683920.db2.gz PYHQOVJDQXDTBV-XLIONFOSSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171925105 1384684820 /nfs/dbraw/zinc/68/48/20/1384684820.db2.gz ZFCUAQSMKJWUJA-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC1(C)C[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171973476 1384699022 /nfs/dbraw/zinc/69/90/22/1384699022.db2.gz ZICZKIOHFPWBBV-GOSISDBHSA-N 2 0 325.456 3.320 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C2CCN(CCF)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171983096 1384703390 /nfs/dbraw/zinc/70/33/90/1384703390.db2.gz MUHNQRBEGVOAAC-FQEVSTJZSA-N 2 0 347.522 3.453 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984690 1384704103 /nfs/dbraw/zinc/70/41/03/1384704103.db2.gz XOVSQJFKXYHPAP-PKOBYXMFSA-N 2 0 338.499 3.440 20 0 EGADRP Cc1nccn1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172060914 1384714124 /nfs/dbraw/zinc/71/41/24/1384714124.db2.gz DLYSKDMMCNQGEJ-WKCHPHFGSA-N 2 0 338.499 3.367 20 0 EGADRP C[N@@H+]1CC[C@@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061634 1384715269 /nfs/dbraw/zinc/71/52/69/1384715269.db2.gz ICCWYPANLXDLSY-BURNTYAHSA-N 2 0 327.516 3.113 20 0 EGADRP c1cn(CCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172068019 1384715985 /nfs/dbraw/zinc/71/59/85/1384715985.db2.gz PMPAKKPJHYGKOB-WKCHPHFGSA-N 2 0 338.499 3.449 20 0 EGADRP COC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067915 1384716408 /nfs/dbraw/zinc/71/64/08/1384716408.db2.gz HUALCANQDRSODM-OWYHZJEWSA-N 2 0 330.472 3.113 20 0 EGADRP CC1([NH3+])CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172066619 1384716758 /nfs/dbraw/zinc/71/67/58/1384716758.db2.gz ATWNBECGZFVYGQ-PMOLBWCYSA-N 2 0 327.516 3.385 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCN2CCCCO2)C3)cc1 ZINC001172066767 1384716795 /nfs/dbraw/zinc/71/67/95/1384716795.db2.gz KDEDSEQYRHVNAI-WKCHPHFGSA-N 2 0 343.515 3.189 20 0 EGADRP O[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068386 1384717952 /nfs/dbraw/zinc/71/79/52/1384717952.db2.gz QKOMLESSZABDBE-SSSFQFABSA-N 2 0 328.500 3.323 20 0 EGADRP OC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172070019 1384718198 /nfs/dbraw/zinc/71/81/98/1384718198.db2.gz ZXIZSZIPZIITIP-OWZKRDHZSA-N 2 0 328.500 3.467 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC001172071219 1384718898 /nfs/dbraw/zinc/71/88/98/1384718898.db2.gz DASOPOBSJHWIID-MBDNFAEBSA-N 2 0 339.527 3.352 20 0 EGADRP COC(C)(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC001172076652 1384720774 /nfs/dbraw/zinc/72/07/74/1384720774.db2.gz KCUAEZISLVBSEC-REPLKXPHSA-N 2 0 332.488 3.171 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172077981 1384721686 /nfs/dbraw/zinc/72/16/86/1384721686.db2.gz KSTNFPMFXVJGGZ-BJWYYQGGSA-N 2 0 339.524 3.238 20 0 EGADRP Cn1c2ccccc2nc1CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107027 1384727997 /nfs/dbraw/zinc/72/79/97/1384727997.db2.gz SLGTZTWQOKLMGF-BJWYYQGGSA-N 2 0 326.488 3.111 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109888 1384729013 /nfs/dbraw/zinc/72/90/13/1384729013.db2.gz GMQHDAOUYHAGTC-OSYHSXPHSA-N 2 0 342.531 3.169 20 0 EGADRP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115444 1384730535 /nfs/dbraw/zinc/73/05/35/1384730535.db2.gz XQSVIGKIQAEDSM-PLACYPQZSA-N 2 0 327.516 3.208 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC(C)(C)Cc2ccccc2OC)CC1 ZINC001172248288 1384755992 /nfs/dbraw/zinc/75/59/92/1384755992.db2.gz FOXHZSCRLHUXMY-UHFFFAOYSA-N 2 0 348.531 3.354 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172379911 1384781693 /nfs/dbraw/zinc/78/16/93/1384781693.db2.gz UHIZKGNUVRKQLQ-HSROGRKHSA-N 2 0 334.548 3.491 20 0 EGADRP COc1ccc(CC2([NH3+])CC[NH+]([C@H](C)CCOC(C)C)CC2)cc1 ZINC001172436188 1384791918 /nfs/dbraw/zinc/79/19/18/1384791918.db2.gz AYFFQKUYTYOCLA-QGZVFWFLSA-N 2 0 334.504 3.235 20 0 EGADRP CC(C)OCC[C@H](C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172440309 1384791941 /nfs/dbraw/zinc/79/19/41/1384791941.db2.gz KWABHYTYOPOMCC-SFHVURJKSA-N 2 0 326.525 3.014 20 0 EGADRP COc1cccc(CC2([NH3+])CC[NH+]([C@H](C)CCOCC(C)C)CC2)c1 ZINC001172466883 1384798931 /nfs/dbraw/zinc/79/89/31/1384798931.db2.gz HMRXMKOCRDJLPL-GOSISDBHSA-N 2 0 348.531 3.482 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172475075 1384801293 /nfs/dbraw/zinc/80/12/93/1384801293.db2.gz CVDPDTCCYBPLHW-FQEVSTJZSA-N 2 0 341.584 3.177 20 0 EGADRP C[NH+]1CCC(CN2CC[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172568027 1384812535 /nfs/dbraw/zinc/81/25/35/1384812535.db2.gz JQNAUFGPGLDSEN-YADHBBJMSA-N 2 0 341.543 3.282 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172601790 1384817285 /nfs/dbraw/zinc/81/72/85/1384817285.db2.gz GMRFOUHXQZNKLO-LWYYNNOASA-N 2 0 344.499 3.490 20 0 EGADRP CCCC[C@@H]1C[C@H]([N@H+](C)C[C@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172638125 1384824333 /nfs/dbraw/zinc/82/43/33/1384824333.db2.gz UOPNPPGOAASJPQ-BRWVUGGUSA-N 2 0 341.540 3.471 20 0 EGADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662988 1384829315 /nfs/dbraw/zinc/82/93/15/1384829315.db2.gz FPYFQVKVQDGIHN-SFHVURJKSA-N 2 0 343.515 3.158 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317059437 1384832507 /nfs/dbraw/zinc/83/25/07/1384832507.db2.gz NHZLRCDPLWBUKX-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1)C1CCCCC1 ZINC001317060991 1384833320 /nfs/dbraw/zinc/83/33/20/1384833320.db2.gz DVUQURAQQLSOHH-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001172767447 1384847253 /nfs/dbraw/zinc/84/72/53/1384847253.db2.gz GKELDNTUHVPFLC-CEXWTWQISA-N 2 0 332.488 3.391 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001317089774 1384851364 /nfs/dbraw/zinc/85/13/64/1384851364.db2.gz ZDPWNNJFWRFDJW-UFYCRDLUSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC2 ZINC001172830409 1384860747 /nfs/dbraw/zinc/86/07/47/1384860747.db2.gz IIYIXIIATPJYLY-LJQANCHMSA-N 2 0 331.548 3.328 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC001172833082 1384861889 /nfs/dbraw/zinc/86/18/89/1384861889.db2.gz WKVOPIZRAXAUGS-NRFANRHFSA-N 2 0 342.527 3.333 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2 ZINC001172843508 1384863952 /nfs/dbraw/zinc/86/39/52/1384863952.db2.gz SRQUPHOPUMETIK-MSOLQXFVSA-N 2 0 347.503 3.032 20 0 EGADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172847083 1384864728 /nfs/dbraw/zinc/86/47/28/1384864728.db2.gz ZJWCMCWVKQENJA-AWEZNQCLSA-N 2 0 341.902 3.026 20 0 EGADRP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001172953181 1384888648 /nfs/dbraw/zinc/88/86/48/1384888648.db2.gz ZGJNJHORCAKOGQ-MXEMCNAFSA-N 2 0 328.500 3.398 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172955383 1384889493 /nfs/dbraw/zinc/88/94/93/1384889493.db2.gz WASRECQAQFJWMS-WOJBJXKFSA-N 2 0 339.568 3.074 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH3+])CN1C(=O)OC(C)(C)C ZINC001173054028 1384902055 /nfs/dbraw/zinc/90/20/55/1384902055.db2.gz UZAMVIIYZXKNKV-RHSMWYFYSA-N 2 0 333.476 3.023 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CCCCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173055706 1384902746 /nfs/dbraw/zinc/90/27/46/1384902746.db2.gz UMKVZAQEEMWZPK-JKSUJKDBSA-N 2 0 327.513 3.096 20 0 EGADRP CCCOC1CCC([NH+]2CCC([NH3+])(Cc3cccnc3)CC2)CC1 ZINC001173094218 1384913468 /nfs/dbraw/zinc/91/34/68/1384913468.db2.gz GWENWGQCVPYVMJ-UHFFFAOYSA-N 2 0 331.504 3.155 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)CC1 ZINC001173110808 1384916751 /nfs/dbraw/zinc/91/67/51/1384916751.db2.gz YKCUQSCAFUTQHU-QDIHITRGSA-N 2 0 336.442 3.275 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(N(C)C(=O)C(C)C)CC2)CC1 ZINC001173114045 1384917663 /nfs/dbraw/zinc/91/76/63/1384917663.db2.gz UFQSWWOQWLFGJY-UHFFFAOYSA-N 2 0 337.552 3.218 20 0 EGADRP CCc1nnc(C2CC[NH+](C3CCC([NH+](CC)CC)CC3)CC2)o1 ZINC001173113597 1384917971 /nfs/dbraw/zinc/91/79/71/1384917971.db2.gz WKQZFCGRDYASLV-UHFFFAOYSA-N 2 0 334.508 3.464 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3c(cccc3C(=O)OC)C2)CC1 ZINC001173112973 1384918031 /nfs/dbraw/zinc/91/80/31/1384918031.db2.gz FVRPUMYPXMQMAM-UHFFFAOYSA-N 2 0 344.499 3.484 20 0 EGADRP c1nc2c(s1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001173122296 1384918443 /nfs/dbraw/zinc/91/84/43/1384918443.db2.gz XEBHWNWRAQPLRP-SJORKVTESA-N 2 0 327.497 3.112 20 0 EGADRP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)CO2 ZINC001173149719 1384924319 /nfs/dbraw/zinc/92/43/19/1384924319.db2.gz HJMMAYKMFFPGEM-MRXNPFEDSA-N 2 0 332.488 3.099 20 0 EGADRP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCN(C)CC[NH3+] ZINC001173211860 1384937153 /nfs/dbraw/zinc/93/71/53/1384937153.db2.gz SPJLPBOGFOHJNZ-SFHVURJKSA-N 2 0 325.500 3.077 20 0 EGADRP CC[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3ccc(Br)cc32)C1 ZINC001173351887 1384963680 /nfs/dbraw/zinc/96/36/80/1384963680.db2.gz FQKJBEBNIGGBHH-CQSZACIVSA-N 2 0 336.277 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317190901 1384964540 /nfs/dbraw/zinc/96/45/40/1384964540.db2.gz ZINQEPPUKMQHSI-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCCC[NH+]2Cc2ccc(OC)cc2)C1 ZINC001173367249 1384965626 /nfs/dbraw/zinc/96/56/26/1384965626.db2.gz FJALPGIGYMDNEG-VQTJNVASSA-N 2 0 345.531 3.076 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001173366807 1384966010 /nfs/dbraw/zinc/96/60/10/1384966010.db2.gz BYSZOPJWWAXEKS-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC001173606240 1384986970 /nfs/dbraw/zinc/98/69/70/1384986970.db2.gz CFHYNYREGGZYJY-RVSXGSNBSA-N 2 0 334.504 3.105 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001173647951 1384995094 /nfs/dbraw/zinc/99/50/94/1384995094.db2.gz CQFRHABIVRPADA-FUHWJXTLSA-N 2 0 336.520 3.495 20 0 EGADRP Cc1c(C(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)ccc2c[nH+]cn21 ZINC001317217746 1384997354 /nfs/dbraw/zinc/99/73/54/1384997354.db2.gz OASDAWDHBYTWLM-MBXJOHMKSA-N 2 0 346.862 3.026 20 0 EGADRP C[C@@H]1CC([N@H+](C)C2CCC([NH3+])CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173676503 1385001839 /nfs/dbraw/zinc/00/18/39/1385001839.db2.gz UADWBTVINZELLO-WXLSXGNJSA-N 2 0 339.524 3.365 20 0 EGADRP C[C@@H]1CC([NH2+][C@H]2CCC[N@H+](C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173676610 1385001879 /nfs/dbraw/zinc/00/18/79/1385001879.db2.gz YGGFONOXSAWSNO-OAGGEKHMSA-N 2 0 339.524 3.237 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)n2cc(CC[NH3+])c3c[nH+]ccc32)cc1 ZINC001173720289 1385008956 /nfs/dbraw/zinc/00/89/56/1385008956.db2.gz KFEDKTANNUIRRH-CQSZACIVSA-N 2 0 337.423 3.128 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001173728350 1385010394 /nfs/dbraw/zinc/01/03/94/1385010394.db2.gz RYUVZXIMXZUREJ-QGZVFWFLSA-N 2 0 346.515 3.456 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173743733 1385012455 /nfs/dbraw/zinc/01/24/55/1385012455.db2.gz MPKXUWSQJHPJMB-OWYHZJEWSA-N 2 0 346.523 3.061 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001317355058 1385102089 /nfs/dbraw/zinc/10/20/89/1385102089.db2.gz KUTAVYHYKRAGAH-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001317396829 1385113403 /nfs/dbraw/zinc/11/34/03/1385113403.db2.gz QUBFFQMGSBNCRP-KRWDZBQOSA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317448345 1385148677 /nfs/dbraw/zinc/14/86/77/1385148677.db2.gz KKSBEDXGSBRHEA-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880752 1385164288 /nfs/dbraw/zinc/16/42/88/1385164288.db2.gz GVYHYIFMWAJRPD-XLIONFOSSA-N 2 0 349.563 3.458 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001174961765 1385175130 /nfs/dbraw/zinc/17/51/30/1385175130.db2.gz ODRQPKVAEUNHSC-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174962563 1385175163 /nfs/dbraw/zinc/17/51/63/1385175163.db2.gz VEYZBWRQLQOYSZ-CECLQJIQSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042967 1385185855 /nfs/dbraw/zinc/18/58/55/1385185855.db2.gz YHUPCORLJKAIKP-MJRGOJFPSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001175049086 1385186206 /nfs/dbraw/zinc/18/62/06/1385186206.db2.gz OAMZPUPAVWGLHL-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC(F)(F)CC1)NC(=O)CC[NH+](C)C ZINC001175049403 1385186413 /nfs/dbraw/zinc/18/64/13/1385186413.db2.gz VNZRIYORJPRLGG-HNNXBMFYSA-N 2 0 347.494 3.028 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175108179 1385195950 /nfs/dbraw/zinc/19/59/50/1385195950.db2.gz RCUMPTPGOJWKLF-AZUAARDMSA-N 2 0 347.547 3.346 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001175114473 1385197240 /nfs/dbraw/zinc/19/72/40/1385197240.db2.gz ASMXJQLXMXEKDE-SJLPKXTDSA-N 2 0 339.568 3.273 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257205 1385231955 /nfs/dbraw/zinc/23/19/55/1385231955.db2.gz WUTGSVWTPJJNDY-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257181 1385232027 /nfs/dbraw/zinc/23/20/27/1385232027.db2.gz WCUAOUSCFQENIN-ROUUACIJSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265482 1385235490 /nfs/dbraw/zinc/23/54/90/1385235490.db2.gz YGGXWBOLNPPEFK-KRWDZBQOSA-N 2 0 345.531 3.079 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001175305944 1385246691 /nfs/dbraw/zinc/24/66/91/1385246691.db2.gz RQRKOGOBAPDLMP-XLIONFOSSA-N 2 0 347.547 3.354 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001317554193 1385318446 /nfs/dbraw/zinc/31/84/46/1385318446.db2.gz UUNMYWISSYYRIZ-WOJBJXKFSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175566699 1385333929 /nfs/dbraw/zinc/33/39/29/1385333929.db2.gz YGGIFPUGWNEDOQ-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001175574535 1385336491 /nfs/dbraw/zinc/33/64/91/1385336491.db2.gz XOFZPBUKCMJZHA-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001317562034 1385341292 /nfs/dbraw/zinc/34/12/92/1385341292.db2.gz SFDHFIGRWNDBOF-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001317595812 1385348648 /nfs/dbraw/zinc/34/86/48/1385348648.db2.gz JHIRNPCJEDGELE-QGZVFWFLSA-N 2 0 345.531 3.403 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)C(C)C ZINC001175745727 1385393051 /nfs/dbraw/zinc/39/30/51/1385393051.db2.gz FHFVDPKGQAVGPU-HJEGTUGWSA-N 2 0 345.959 3.370 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001175747817 1385394653 /nfs/dbraw/zinc/39/46/53/1385394653.db2.gz UHLFHAIMUVTJGE-ZWKOTPCHSA-N 2 0 327.557 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001175786796 1385405727 /nfs/dbraw/zinc/40/57/27/1385405727.db2.gz QHTDRKUGLFQMJZ-OAHLLOKOSA-N 2 0 339.549 3.163 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001175787743 1385406617 /nfs/dbraw/zinc/40/66/17/1385406617.db2.gz WSYAYZRNDHWSEC-LJQANCHMSA-N 2 0 347.547 3.226 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001175905917 1385434549 /nfs/dbraw/zinc/43/45/49/1385434549.db2.gz FIXYCJAPDWCYCS-WOJBJXKFSA-N 2 0 333.495 3.379 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001176057712 1385473793 /nfs/dbraw/zinc/47/37/93/1385473793.db2.gz RRTLWNULGOCEGD-SJLPKXTDSA-N 2 0 345.531 3.093 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001176165416 1385501124 /nfs/dbraw/zinc/50/11/24/1385501124.db2.gz KWCTVILLPNMQKQ-AZUAARDMSA-N 2 0 345.531 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001176279854 1385536764 /nfs/dbraw/zinc/53/67/64/1385536764.db2.gz ROLUKKWZZIOBFD-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001176308925 1385546825 /nfs/dbraw/zinc/54/68/25/1385546825.db2.gz FBWVGWXRTYCJBF-GHXNOFRVSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566151 1385627745 /nfs/dbraw/zinc/62/77/45/1385627745.db2.gz YWVKOIUXRNQUBQ-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176592223 1385635604 /nfs/dbraw/zinc/63/56/04/1385635604.db2.gz XGTODMLZKWSQDM-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP CCOC(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001176650011 1385646172 /nfs/dbraw/zinc/64/61/72/1385646172.db2.gz NDDCXFIILJPJLZ-LJQANCHMSA-N 2 0 330.472 3.058 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728795 1385674312 /nfs/dbraw/zinc/67/43/12/1385674312.db2.gz PUORVDNYUPGNSB-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176739648 1385677357 /nfs/dbraw/zinc/67/73/57/1385677357.db2.gz XYVUHXFOQXCOOX-QGZVFWFLSA-N 2 0 333.520 3.282 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CC[NH+]1CCCCC1 ZINC001176739117 1385677414 /nfs/dbraw/zinc/67/74/14/1385677414.db2.gz UCFVZXBVFUFITO-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176753026 1385683273 /nfs/dbraw/zinc/68/32/73/1385683273.db2.gz CJIVUZIKQNWKHD-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760074 1385687235 /nfs/dbraw/zinc/68/72/35/1385687235.db2.gz POCIEZYUZWYIAV-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001176991446 1385765681 /nfs/dbraw/zinc/76/56/81/1385765681.db2.gz BBLORDDQRRJBBG-OALUTQOASA-N 2 0 331.504 3.108 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001176996786 1385767964 /nfs/dbraw/zinc/76/79/64/1385767964.db2.gz DDWJHXLUNCVKRK-FQEVSTJZSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC001176999294 1385768916 /nfs/dbraw/zinc/76/89/16/1385768916.db2.gz ULNOTBXNSUXLFO-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001176998576 1385769083 /nfs/dbraw/zinc/76/90/83/1385769083.db2.gz CBYNRWJDYNWJFJ-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCCC1CCCC1)[NH+]1CCCC1 ZINC001176998989 1385769388 /nfs/dbraw/zinc/76/93/88/1385769388.db2.gz OVBJCLINCOKFAS-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001177328670 1385916029 /nfs/dbraw/zinc/91/60/29/1385916029.db2.gz QHZNWYFQHJPFCI-UYAOXDASSA-N 2 0 349.563 3.291 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001177330455 1385916743 /nfs/dbraw/zinc/91/67/43/1385916743.db2.gz BNSIRYWXKVZKJO-XYOKQWHBSA-N 2 0 343.515 3.062 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177330993 1385916872 /nfs/dbraw/zinc/91/68/72/1385916872.db2.gz VZNDDYZGFHUXOW-SFHVURJKSA-N 2 0 343.531 3.073 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+]CCCC1CCCC1 ZINC001177332789 1385917446 /nfs/dbraw/zinc/91/74/46/1385917446.db2.gz SPBHDGIQSSPKLY-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC[C@@H](C(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1)[NH+](C)C ZINC001177415787 1385948436 /nfs/dbraw/zinc/94/84/36/1385948436.db2.gz LLJXMJGMALEZBT-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]CC=C(C)C)CC1CCCC1 ZINC001177466752 1385966327 /nfs/dbraw/zinc/96/63/27/1385966327.db2.gz FQKJYLHSGDWIAJ-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP C[NH+](C)CCCCC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177467192 1385967148 /nfs/dbraw/zinc/96/71/48/1385967148.db2.gz VEONXICMIPFNQT-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(CC[NH+](CC(CC)CC)C2)CC1 ZINC001319146284 1385979032 /nfs/dbraw/zinc/97/90/32/1385979032.db2.gz XGRYAOVYIDDZTH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319186960 1385998328 /nfs/dbraw/zinc/99/83/28/1385998328.db2.gz ZUCDMWWURRCINV-UZLBHIALSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001319207957 1386006001 /nfs/dbraw/zinc/00/60/01/1386006001.db2.gz JUDIFELBRNVGNN-QFBILLFUSA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319209187 1386006488 /nfs/dbraw/zinc/00/64/88/1386006488.db2.gz NJHHIOXIPNRNEY-XLIONFOSSA-N 2 0 345.531 3.136 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCC2)cc1 ZINC001319386954 1386097520 /nfs/dbraw/zinc/09/75/20/1386097520.db2.gz SZGINBGPRXZZPV-LJQANCHMSA-N 2 0 345.531 3.100 20 0 EGADRP CC1CCC(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001178045088 1386114701 /nfs/dbraw/zinc/11/47/01/1386114701.db2.gz CITNKEGXMRAUJM-ACBHZAAOSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045391 1386115221 /nfs/dbraw/zinc/11/52/21/1386115221.db2.gz KEGLNLMBIPFWAL-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319461282 1386132442 /nfs/dbraw/zinc/13/24/42/1386132442.db2.gz SLFDCFLJBFTIKJ-MRXNPFEDSA-N 2 0 349.494 3.027 20 0 EGADRP O=c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC001178285079 1386180314 /nfs/dbraw/zinc/18/03/14/1386180314.db2.gz JRRGSCAWUJKXOA-SLFFLAALSA-N 2 0 337.467 3.178 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001319590146 1386193006 /nfs/dbraw/zinc/19/30/06/1386193006.db2.gz PHGUVIBGDKPESM-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001319590631 1386193348 /nfs/dbraw/zinc/19/33/48/1386193348.db2.gz USUTYQQDNIVNRJ-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001178688041 1386278052 /nfs/dbraw/zinc/27/80/52/1386278052.db2.gz DOOGTTCTUWECMB-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CCc1ccc(C)cc1)[NH+](C)C ZINC001178816268 1386316358 /nfs/dbraw/zinc/31/63/58/1386316358.db2.gz ZRTMICPQJNBKFT-HXUWFJFHSA-N 2 0 347.547 3.144 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178877471 1386336193 /nfs/dbraw/zinc/33/61/93/1386336193.db2.gz BYGGIUWZWQGYKU-FHWLQOOXSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1C ZINC001319866068 1386344561 /nfs/dbraw/zinc/34/45/61/1386344561.db2.gz ZRDAUWQMYAYFSQ-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1C ZINC001319866065 1386344574 /nfs/dbraw/zinc/34/45/74/1386344574.db2.gz ZRDAUWQMYAYFSQ-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1c(C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)ccc2c[nH+]cn21 ZINC001178908476 1386345278 /nfs/dbraw/zinc/34/52/78/1386345278.db2.gz UCSCCQCHNCBYBI-OAHLLOKOSA-N 2 0 348.466 3.271 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178921062 1386350263 /nfs/dbraw/zinc/35/02/63/1386350263.db2.gz VDLBSXHIVVNHMY-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178947470 1386357864 /nfs/dbraw/zinc/35/78/64/1386357864.db2.gz ZIKQHHOXTGDEHY-UHFFFAOYSA-N 2 0 330.476 3.260 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178947353 1386358471 /nfs/dbraw/zinc/35/84/71/1386358471.db2.gz SZWFOUXAYLILGT-MRXNPFEDSA-N 2 0 330.476 3.260 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1c(C)cc(C)cc1C)C(C)C)[NH+](C)C ZINC001319945515 1386408261 /nfs/dbraw/zinc/40/82/61/1386408261.db2.gz VFBCMXKOKDWNBT-PMACEKPBSA-N 2 0 347.547 3.182 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179234659 1386428577 /nfs/dbraw/zinc/42/85/77/1386428577.db2.gz UUGVPDKXZZLRKH-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001320008151 1386449654 /nfs/dbraw/zinc/44/96/54/1386449654.db2.gz DFHDVIBAEMZKDG-LJQANCHMSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)c1 ZINC001179399632 1386475039 /nfs/dbraw/zinc/47/50/39/1386475039.db2.gz CQERDXMXNAJVIQ-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001179461341 1386487272 /nfs/dbraw/zinc/48/72/72/1386487272.db2.gz HFTINHUVVGCROJ-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP Cc1ccc(CCC[NH2+]CCCCCCNC(=O)CC[NH+](C)C)cc1 ZINC001179461695 1386487999 /nfs/dbraw/zinc/48/79/99/1386487999.db2.gz XEQAYEBIZMCEKN-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461486 1386488082 /nfs/dbraw/zinc/48/80/82/1386488082.db2.gz MLOGRBQRFUKDOL-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC2CCCCC2)CC1 ZINC001179464068 1386488718 /nfs/dbraw/zinc/48/87/18/1386488718.db2.gz LMDGNHOZTQICJO-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C)[NH+](CC)CC ZINC001179516983 1386504218 /nfs/dbraw/zinc/50/42/18/1386504218.db2.gz JWVWMLUBUOPDHY-ZYSHUDEJSA-N 2 0 349.494 3.025 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580617 1386521491 /nfs/dbraw/zinc/52/14/91/1386521491.db2.gz KESPRBIFVUVZCW-UEKDZROGSA-N 2 0 337.552 3.483 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@H+]2CCC[C@@H]2C)c1 ZINC001179580644 1386521800 /nfs/dbraw/zinc/52/18/00/1386521800.db2.gz KYOJYHVJWIJBFU-IBGZPJMESA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179585449 1386523398 /nfs/dbraw/zinc/52/33/98/1386523398.db2.gz HZXPWSOYFIHDSO-RTBURBONSA-N 2 0 339.568 3.277 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21)[NH+](C)C ZINC001179609107 1386530277 /nfs/dbraw/zinc/53/02/77/1386530277.db2.gz IBTIGHIJPMANBU-UXHICEINSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001179609000 1386530440 /nfs/dbraw/zinc/53/04/40/1386530440.db2.gz BEAPVHDVCIENLN-KRWDZBQOSA-N 2 0 339.549 3.163 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001179609342 1386530605 /nfs/dbraw/zinc/53/06/05/1386530605.db2.gz OWQZSTMKYWOYKY-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCc1ccccc1C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609541 1386531061 /nfs/dbraw/zinc/53/10/61/1386531061.db2.gz VJYAGMFZACDDSJ-FQEVSTJZSA-N 2 0 347.547 3.355 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1)[NH+](C)C ZINC001179609486 1386531308 /nfs/dbraw/zinc/53/13/08/1386531308.db2.gz RPXPKZTXKXIEMJ-CVEARBPZSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]cn1)c1cccc(F)c1 ZINC001179693422 1386556962 /nfs/dbraw/zinc/55/69/62/1386556962.db2.gz ZTUTWDTYUVVHGF-HNNXBMFYSA-N 2 0 346.450 3.119 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179744388 1386569424 /nfs/dbraw/zinc/56/94/24/1386569424.db2.gz ODRLYMBINQEIPM-BJLQDIEVSA-N 2 0 345.531 3.285 20 0 EGADRP C[C@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)[NH+]1CCCCCC1 ZINC001179746069 1386569850 /nfs/dbraw/zinc/56/98/50/1386569850.db2.gz NMYPNNWJGKAKAR-QXPKXGMISA-N 2 0 343.943 3.270 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001179899529 1386622724 /nfs/dbraw/zinc/62/27/24/1386622724.db2.gz RQXDPSBEVIQLSE-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)[C@H]1C ZINC001179908307 1386625435 /nfs/dbraw/zinc/62/54/35/1386625435.db2.gz TXAKIJNLXIEQJM-ROUUACIJSA-N 2 0 325.541 3.268 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001320571316 1386654565 /nfs/dbraw/zinc/65/45/65/1386654565.db2.gz WDCAKXWFSIJSOM-CVEARBPZSA-N 2 0 349.494 3.103 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001180039971 1386677704 /nfs/dbraw/zinc/67/77/04/1386677704.db2.gz SNSDCOCKYFHZIQ-LJQANCHMSA-N 2 0 333.520 3.356 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001180064922 1386685418 /nfs/dbraw/zinc/68/54/18/1386685418.db2.gz ABPWTDJYPZOCFO-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)CS1 ZINC001320719005 1386700445 /nfs/dbraw/zinc/70/04/45/1386700445.db2.gz KQKCGUJDMUPNKG-VQTJNVASSA-N 2 0 347.572 3.054 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H]1C ZINC001180226660 1386738599 /nfs/dbraw/zinc/73/85/99/1386738599.db2.gz FSEXRCFJXCIBJH-KPHVFVAGSA-N 2 0 343.515 3.009 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274413 1386752024 /nfs/dbraw/zinc/75/20/24/1386752024.db2.gz CFRIFWZKLIFSFB-GOSISDBHSA-N 2 0 325.541 3.031 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001321757092 1386976983 /nfs/dbraw/zinc/97/69/83/1386976983.db2.gz VLGCMUSORCVOPA-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181441883 1386994995 /nfs/dbraw/zinc/99/49/95/1386994995.db2.gz RZURRBDCZCJGRU-QWFCFKBJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321850380 1386996619 /nfs/dbraw/zinc/99/66/19/1386996619.db2.gz XSWQDKYQTXZQIW-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001321909955 1387008825 /nfs/dbraw/zinc/00/88/25/1387008825.db2.gz VVTRGCUILQHTRI-GJZGRUSLSA-N 2 0 349.906 3.124 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720469 1387044698 /nfs/dbraw/zinc/04/46/98/1387044698.db2.gz GCZUZLXRTDZBAX-SVFBPWRDSA-N 2 0 349.563 3.005 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728898 1387046532 /nfs/dbraw/zinc/04/65/32/1387046532.db2.gz TWJJRUDJYVIGMB-QWFCFKBJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001698698754 1406341631 /nfs/dbraw/zinc/34/16/31/1406341631.db2.gz JHCVWIRKYKEBOJ-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182591170 1387193220 /nfs/dbraw/zinc/19/32/20/1387193220.db2.gz UVULWIPMPZUQQP-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182806456 1387227572 /nfs/dbraw/zinc/22/75/72/1387227572.db2.gz GBADKNBYVPHUQU-SFHLNBCPSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2cnn(C)c2)c1 ZINC001329434267 1389110622 /nfs/dbraw/zinc/11/06/22/1389110622.db2.gz WZFMMSGOLJBUIK-UHFFFAOYSA-N 2 0 338.499 3.361 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC001337108177 1389255439 /nfs/dbraw/zinc/25/54/39/1389255439.db2.gz DYJFYRUFSVEFLU-UKRRQHHQSA-N 2 0 325.522 3.023 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001698750534 1406401616 /nfs/dbraw/zinc/40/16/16/1406401616.db2.gz YTUUXAPXPZXHMO-YLJYHZDGSA-N 2 0 345.531 3.018 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001332875068 1390206573 /nfs/dbraw/zinc/20/65/73/1390206573.db2.gz MFOBEBNMCAFUHN-GOSISDBHSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@@H]1C[C@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]1 ZINC001340837952 1390380709 /nfs/dbraw/zinc/38/07/09/1390380709.db2.gz DLULINIZGAEVFC-SJLPKXTDSA-N 2 0 329.488 3.389 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001341630613 1390511774 /nfs/dbraw/zinc/51/17/74/1390511774.db2.gz TZTZKAJOMIXXSN-KBPBESRZSA-N 2 0 338.521 3.077 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001341630614 1390511785 /nfs/dbraw/zinc/51/17/85/1390511785.db2.gz TZTZKAJOMIXXSN-KGLIPLIRSA-N 2 0 338.521 3.077 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001341701031 1390518999 /nfs/dbraw/zinc/51/89/99/1390518999.db2.gz MPPATERGBNMGOJ-YSIASYRMSA-N 2 0 345.531 3.261 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]2C1 ZINC001334358015 1390523981 /nfs/dbraw/zinc/52/39/81/1390523981.db2.gz WEJBFPSRPILIDS-JKIFEVAISA-N 2 0 332.879 3.150 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC001343372443 1390709870 /nfs/dbraw/zinc/70/98/70/1390709870.db2.gz QUFCQZJSJOAQOL-JQHSSLGASA-N 2 0 329.488 3.375 20 0 EGADRP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001345105102 1390837675 /nfs/dbraw/zinc/83/76/75/1390837675.db2.gz PSCYLLABXREQBK-MRXNPFEDSA-N 2 0 330.863 3.494 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)c1 ZINC001349366678 1391323963 /nfs/dbraw/zinc/32/39/63/1391323963.db2.gz DESFYWUXPWMAAI-SZVBFZGTSA-N 2 0 329.488 3.116 20 0 EGADRP [NH3+]CCc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001353507351 1392026746 /nfs/dbraw/zinc/02/67/46/1392026746.db2.gz CQNOPIOSNQYULF-UHFFFAOYSA-N 2 0 337.467 3.078 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC001698848840 1406550889 /nfs/dbraw/zinc/55/08/89/1406550889.db2.gz QWIOQMQICVRDNO-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479829179 1392415822 /nfs/dbraw/zinc/41/58/22/1392415822.db2.gz KEGKJVPHPMYRKJ-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]2CCCCC2)cc1 ZINC001698862248 1406573358 /nfs/dbraw/zinc/57/33/58/1406573358.db2.gz XEYRMQITJXKUJT-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001480380747 1392723945 /nfs/dbraw/zinc/72/39/45/1392723945.db2.gz XKCISLABCDLYIF-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001480575692 1392798417 /nfs/dbraw/zinc/79/84/17/1392798417.db2.gz UHNPCDSFVVKQTK-HNAYVOBHSA-N 2 0 349.494 3.029 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C2)CCC1 ZINC001480729666 1392892422 /nfs/dbraw/zinc/89/24/22/1392892422.db2.gz FXMSQOACTNMNLK-QGZVFWFLSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480733634 1392897125 /nfs/dbraw/zinc/89/71/25/1392897125.db2.gz QEQZMTZRTTYUGL-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)cc1C ZINC001480979392 1393063519 /nfs/dbraw/zinc/06/35/19/1393063519.db2.gz HXLOSXFECZGUMD-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1)[NH+](C)C ZINC001481064239 1393111064 /nfs/dbraw/zinc/11/10/64/1393111064.db2.gz GRZGZASWBLGBRE-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001698882131 1406612096 /nfs/dbraw/zinc/61/20/96/1406612096.db2.gz UVKHKIADDNQJAW-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001481298738 1393160202 /nfs/dbraw/zinc/16/02/02/1393160202.db2.gz QFPCDKLXLBEQIP-FQEVSTJZSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001481319479 1393163235 /nfs/dbraw/zinc/16/32/35/1393163235.db2.gz GGOZESKCRRERLF-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001698928746 1406665433 /nfs/dbraw/zinc/66/54/33/1406665433.db2.gz LSTFTLIVVPVIND-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561025 1394260379 /nfs/dbraw/zinc/26/03/79/1394260379.db2.gz MLTQIPDKBYHULR-RTBURBONSA-N 2 0 345.531 3.306 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001490618974 1394286347 /nfs/dbraw/zinc/28/63/47/1394286347.db2.gz SJGQOOQWAPSDNN-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001481515290 1394363851 /nfs/dbraw/zinc/36/38/51/1394363851.db2.gz JNVALLFTZNTLRC-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481539466 1394401506 /nfs/dbraw/zinc/40/15/06/1394401506.db2.gz PDSKRRJKNAGSBM-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001491120637 1394439568 /nfs/dbraw/zinc/43/95/68/1394439568.db2.gz PIPFKMJPAZMXPN-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001698951577 1406692018 /nfs/dbraw/zinc/69/20/18/1406692018.db2.gz FLQSPCITTBQZTG-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001482173000 1394786671 /nfs/dbraw/zinc/78/66/71/1394786671.db2.gz DCDZQKCDKWUBDK-OXQOHEQNSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001482480505 1395033843 /nfs/dbraw/zinc/03/38/43/1395033843.db2.gz MSGXNVYGFNFSJB-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001483913102 1395141908 /nfs/dbraw/zinc/14/19/08/1395141908.db2.gz SMKHKPUCZYATJE-SJLPKXTDSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001483943141 1395155175 /nfs/dbraw/zinc/15/51/75/1395155175.db2.gz UHCXMSNIUMZAAD-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001484065745 1395228165 /nfs/dbraw/zinc/22/81/65/1395228165.db2.gz ZAUROROXBZPQBU-NRFANRHFSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001484139899 1395276527 /nfs/dbraw/zinc/27/65/27/1395276527.db2.gz FGJDOIQSQAQSPJ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001484723964 1395487637 /nfs/dbraw/zinc/48/76/37/1395487637.db2.gz LTURTAGWUDIRLA-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1 ZINC001698989032 1406775338 /nfs/dbraw/zinc/77/53/38/1406775338.db2.gz GRKJUPBHAWRBMX-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001485239458 1395733016 /nfs/dbraw/zinc/73/30/16/1395733016.db2.gz OZKKXVDENVEQRC-MZCYRKOTSA-N 2 0 335.536 3.186 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485942656 1396171293 /nfs/dbraw/zinc/17/12/93/1396171293.db2.gz RJIDANWBFIHXDM-SFHVURJKSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001485960461 1396174124 /nfs/dbraw/zinc/17/41/24/1396174124.db2.gz GYTYAVKCWLVMPS-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001503457992 1396255062 /nfs/dbraw/zinc/25/50/62/1396255062.db2.gz MFRPHSNEJRUSJN-KRWDZBQOSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001492256633 1396316739 /nfs/dbraw/zinc/31/67/39/1396316739.db2.gz ILQBAMCWAZGAKO-MBOZVWFJSA-N 2 0 345.531 3.259 20 0 EGADRP Cc1cc(C)c(C[N@H+](C)CCNC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001492873529 1396327518 /nfs/dbraw/zinc/32/75/18/1396327518.db2.gz JPWWCMRSNIBZFL-UHFFFAOYSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001494633864 1396488320 /nfs/dbraw/zinc/48/83/20/1396488320.db2.gz WDNYFHWLVJDWLG-HXUWFJFHSA-N 2 0 343.515 3.062 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001497297390 1396745287 /nfs/dbraw/zinc/74/52/87/1396745287.db2.gz FEYYZDOBTNDZRB-DNVCBOLYSA-N 2 0 349.494 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001498154521 1396927288 /nfs/dbraw/zinc/92/72/88/1396927288.db2.gz ZVINXLRWNKNBSB-DLBZAZTESA-N 2 0 341.499 3.337 20 0 EGADRP Cc1c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001689903671 1404197936 /nfs/dbraw/zinc/19/79/36/1404197936.db2.gz YNEGBUFTBQHODJ-HNAYVOBHSA-N 2 0 342.487 3.272 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001690045593 1404279968 /nfs/dbraw/zinc/27/99/68/1404279968.db2.gz UDUOYUDMXNUXLG-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001690197116 1404405599 /nfs/dbraw/zinc/40/55/99/1404405599.db2.gz GZVGVQKIVPZNIW-IBGZPJMESA-N 2 0 345.531 3.007 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001690198041 1404409270 /nfs/dbraw/zinc/40/92/70/1404409270.db2.gz ZYMIGKYBZOBFOS-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(CC)cc1 ZINC001690485785 1404601415 /nfs/dbraw/zinc/60/14/15/1404601415.db2.gz FNFZPQUSSALHDI-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001690487267 1404601728 /nfs/dbraw/zinc/60/17/28/1404601728.db2.gz MNZLIKHXWYWHKL-PKOBYXMFSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001690575503 1404637697 /nfs/dbraw/zinc/63/76/97/1404637697.db2.gz VKYAGOKGOJNACG-IRXDYDNUSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001690824309 1404760919 /nfs/dbraw/zinc/76/09/19/1404760919.db2.gz AQPVUGLZQGGWSZ-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCCCC1 ZINC001690868734 1404786881 /nfs/dbraw/zinc/78/68/81/1404786881.db2.gz NHXKFZVNVSWBKQ-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001690947322 1404855065 /nfs/dbraw/zinc/85/50/65/1404855065.db2.gz KYCZXTLXLFXTPV-XLIONFOSSA-N 2 0 343.515 3.203 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731630241 1427681733 /nfs/dbraw/zinc/68/17/33/1427681733.db2.gz WJACAZHUJNXWNF-AOCRQIFASA-N 2 0 339.568 3.275 20 0 EGADRP CCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001698586985 1406204826 /nfs/dbraw/zinc/20/48/26/1406204826.db2.gz MCWPGVPRNGLWQJ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732442103 1428582752 /nfs/dbraw/zinc/58/27/52/1428582752.db2.gz CPGSMIUJVLJBCW-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001699380414 1412688784 /nfs/dbraw/zinc/68/87/84/1412688784.db2.gz MCUQRROGWGPOJK-GOSISDBHSA-N 2 0 347.547 3.184 20 0 EGADRP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001732538579 1428687613 /nfs/dbraw/zinc/68/76/13/1428687613.db2.gz AXEVKSOJZBQLRO-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699754519 1413161500 /nfs/dbraw/zinc/16/15/00/1413161500.db2.gz AEWQPBJWNSTYIZ-ZMBJWTFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001699853025 1413282829 /nfs/dbraw/zinc/28/28/29/1413282829.db2.gz GQTPCYITBJBIDR-UZLBHIALSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001699877381 1413338537 /nfs/dbraw/zinc/33/85/37/1413338537.db2.gz WRKFJUWRYOOYBA-WIYYLYMNSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC001700195650 1413635943 /nfs/dbraw/zinc/63/59/43/1413635943.db2.gz VJIFFZHTBYYCSQ-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](CCC1CC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001700342986 1413826965 /nfs/dbraw/zinc/82/69/65/1413826965.db2.gz NVUQMPHZPPLLDB-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001700435557 1414001725 /nfs/dbraw/zinc/00/17/25/1414001725.db2.gz OZMNXBJFQOKNHG-QHGAOEGBSA-N 2 0 345.531 3.449 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001732577408 1428779320 /nfs/dbraw/zinc/77/93/20/1428779320.db2.gz YYNLQDPCPGRAGT-YLJYHZDGSA-N 2 0 345.531 3.355 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700755059 1414425896 /nfs/dbraw/zinc/42/58/96/1414425896.db2.gz FXAOKRLFYKIUKH-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH]cn2)c1 ZINC001732593464 1428822106 /nfs/dbraw/zinc/82/21/06/1428822106.db2.gz ABLWJRUOOCYXFK-IRXDYDNUSA-N 2 0 342.487 3.048 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001732628137 1428890675 /nfs/dbraw/zinc/89/06/75/1428890675.db2.gz UCVAZMZNCASMCY-VQTJNVASSA-N 2 0 345.531 3.020 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)c1cccc2nccn21 ZINC001732784732 1428968475 /nfs/dbraw/zinc/96/84/75/1428968475.db2.gz BMOKIBSTXUZSBE-INIZCTEOSA-N 2 0 336.439 3.147 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732964943 1429089470 /nfs/dbraw/zinc/08/94/70/1429089470.db2.gz NKDZREHVUFVMBD-MSOLQXFVSA-N 2 0 345.531 3.354 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC1CCCC1 ZINC001707442631 1417346538 /nfs/dbraw/zinc/34/65/38/1417346538.db2.gz HLVVDGXCSAKICY-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001712998930 1417550781 /nfs/dbraw/zinc/55/07/81/1417550781.db2.gz IOLJAFJQNZTZHE-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CCc1cccc(C[NH+]2CCC(N(C)C(=O)CC[N@@H+](C)CC)CC2)c1 ZINC001713057442 1417612331 /nfs/dbraw/zinc/61/23/31/1417612331.db2.gz MRUWERSCJNMNQI-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP C[N@H+](CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001713264671 1417873250 /nfs/dbraw/zinc/87/32/50/1417873250.db2.gz HDZRSFDRXRAWTI-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001713271397 1417883502 /nfs/dbraw/zinc/88/35/02/1417883502.db2.gz IRMFCBUQUXSNIZ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713393380 1418007103 /nfs/dbraw/zinc/00/71/03/1418007103.db2.gz JMJMVDCHRKWLQM-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001713485918 1418179936 /nfs/dbraw/zinc/17/99/36/1418179936.db2.gz NIZIWPGCFBKYQQ-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001713541785 1418303555 /nfs/dbraw/zinc/30/35/55/1418303555.db2.gz NUNRJPIMHIPBGB-OALUTQOASA-N 2 0 343.515 3.062 20 0 EGADRP CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001713719525 1418489541 /nfs/dbraw/zinc/48/95/41/1418489541.db2.gz BYUDGTRNJKHBEU-HXUWFJFHSA-N 2 0 345.531 3.126 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001733188884 1429290909 /nfs/dbraw/zinc/29/09/09/1429290909.db2.gz AIEUCCJLQHSYTI-FQEVSTJZSA-N 2 0 349.563 3.317 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001714132781 1418935877 /nfs/dbraw/zinc/93/58/77/1418935877.db2.gz JBQFJXCGQQDLJN-IBGZPJMESA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001714134194 1418937047 /nfs/dbraw/zinc/93/70/47/1418937047.db2.gz BTQBNMYKPUIFEQ-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714149655 1418956102 /nfs/dbraw/zinc/95/61/02/1418956102.db2.gz FANOHGYBWSSLMV-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001714308159 1419088457 /nfs/dbraw/zinc/08/84/57/1419088457.db2.gz ALPCGQQFAQBUCT-ZWKOTPCHSA-N 2 0 331.504 3.026 20 0 EGADRP C[N@H+](CCCC1CCCC1)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714544160 1419269205 /nfs/dbraw/zinc/26/92/05/1419269205.db2.gz UZIHITNSBARFBB-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)c1cccc(C)c1 ZINC001714591750 1419339633 /nfs/dbraw/zinc/33/96/33/1419339633.db2.gz DXZXZXGGHWXDNG-GOSISDBHSA-N 2 0 347.547 3.472 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1ccccc1C ZINC001714618338 1419382531 /nfs/dbraw/zinc/38/25/31/1419382531.db2.gz KQUXLAMSKNSFKU-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001714716895 1419482142 /nfs/dbraw/zinc/48/21/42/1419482142.db2.gz QXVCXHOKLCOXQI-PXNSSMCTSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CCC3CC3)CC2)CC1 ZINC001714813281 1419524194 /nfs/dbraw/zinc/52/41/94/1419524194.db2.gz GJWORTDSDOPILT-QGZVFWFLSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001715023882 1419755370 /nfs/dbraw/zinc/75/53/70/1419755370.db2.gz GUQCZHMBBSQEFU-RBUKOAKNSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001715081954 1419818774 /nfs/dbraw/zinc/81/87/74/1419818774.db2.gz CSHUBQVEYWPIML-QUCCMNQESA-N 2 0 345.531 3.416 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cc(C)cc(C)c1 ZINC001715084931 1419823377 /nfs/dbraw/zinc/82/33/77/1419823377.db2.gz KAYXGOAVKJXJIF-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H]1CCCC[C@]1(C[NH2+]CC1CC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001715127327 1419874735 /nfs/dbraw/zinc/87/47/35/1419874735.db2.gz QNUDAJZXMURZSU-GHTZIAJQSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+][C@@H](C)c1ccccc1 ZINC001715238542 1419968625 /nfs/dbraw/zinc/96/86/25/1419968625.db2.gz ZQWIFULQNLHWAH-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001715411831 1420108084 /nfs/dbraw/zinc/10/80/84/1420108084.db2.gz IYCFVDVDKULIME-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(CC[NH+](C)Cc2ccccc2)CC1 ZINC001715485267 1420165783 /nfs/dbraw/zinc/16/57/83/1420165783.db2.gz PTDUKWXRFDTTOR-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CCC1CCCC1 ZINC001715956511 1420422219 /nfs/dbraw/zinc/42/22/19/1420422219.db2.gz AERLZOGFXLREOM-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040952 1420502488 /nfs/dbraw/zinc/50/24/88/1420502488.db2.gz KIHQFRPWIKNZFB-PXNSSMCTSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716065133 1420523728 /nfs/dbraw/zinc/52/37/28/1420523728.db2.gz JHVGUIXETYNKHC-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001716074146 1420529279 /nfs/dbraw/zinc/52/92/79/1420529279.db2.gz WEEIVDKIRIBQAW-VQTJNVASSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H]([NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001716220603 1420570431 /nfs/dbraw/zinc/57/04/31/1420570431.db2.gz JBYDSJHZPUVJDA-SFHVURJKSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001716465369 1420678142 /nfs/dbraw/zinc/67/81/42/1420678142.db2.gz VLGCMUSORCVOPA-ZWKOTPCHSA-N 2 0 331.504 3.026 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1cccc(F)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001716505185 1420736116 /nfs/dbraw/zinc/73/61/16/1420736116.db2.gz BNVZCGCYDWQLIV-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001716768898 1420913788 /nfs/dbraw/zinc/91/37/88/1420913788.db2.gz HTQPAFMAKPRMTP-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001717097324 1421108718 /nfs/dbraw/zinc/10/87/18/1421108718.db2.gz NLBMHCPIDUXZDE-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001717311734 1421255828 /nfs/dbraw/zinc/25/58/28/1421255828.db2.gz GQLGCAURMUBERZ-SJORKVTESA-N 2 0 339.568 3.370 20 0 EGADRP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001717555960 1421492593 /nfs/dbraw/zinc/49/25/93/1421492593.db2.gz BBAFTUQKNONIMD-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001717748083 1421610746 /nfs/dbraw/zinc/61/07/46/1421610746.db2.gz AFLJKVMLARNIEQ-MOPGFXCFSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C\c1ccccc1)C(C)(C)C)[NH+](C)C ZINC001717970902 1421742935 /nfs/dbraw/zinc/74/29/35/1421742935.db2.gz DMESPYLDIWLOQW-AXMFATFGSA-N 2 0 345.531 3.161 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001723520744 1424450296 /nfs/dbraw/zinc/45/02/96/1424450296.db2.gz CTYIALXMIXXCCH-SFHVURJKSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001723640962 1424508604 /nfs/dbraw/zinc/50/86/04/1424508604.db2.gz OEEXKPCIVLFQIT-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CCCc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001724185232 1424719142 /nfs/dbraw/zinc/71/91/42/1424719142.db2.gz WHGUWHOLEMMONM-OAQYLSRUSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc([C@H](C)[NH2+]CC2CCC2)cc1)[NH+](C)C ZINC001724741305 1425106973 /nfs/dbraw/zinc/10/69/73/1425106973.db2.gz JGQAVFKQPMUTJK-JXFKEZNVSA-N 2 0 345.531 3.340 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001724845490 1425195886 /nfs/dbraw/zinc/19/58/86/1425195886.db2.gz QNHZWGVGCDKMRL-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725030708 1425450629 /nfs/dbraw/zinc/45/06/29/1425450629.db2.gz YNSCJPXTMYGBHU-FHWLQOOXSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001725143053 1425622659 /nfs/dbraw/zinc/62/26/59/1425622659.db2.gz LQSQRHVHTUGBLC-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccccc1C[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001725240297 1425840771 /nfs/dbraw/zinc/84/07/71/1425840771.db2.gz HXVFDLVKAVEXQD-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001725270258 1425906305 /nfs/dbraw/zinc/90/63/05/1425906305.db2.gz VGMNYLAJRKLRJR-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001725564999 1426227486 /nfs/dbraw/zinc/22/74/86/1426227486.db2.gz ITGQGSHAJUDMDL-MJGOQNOKSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCCC(C)(C)C ZINC001725618239 1426281683 /nfs/dbraw/zinc/28/16/83/1426281683.db2.gz DZCNELIPEDTEMG-AEFFLSMTSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)CCCCC1 ZINC001731373420 1427302969 /nfs/dbraw/zinc/30/29/69/1427302969.db2.gz FTOXBURQGZBTTJ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001731460616 1427436724 /nfs/dbraw/zinc/43/67/24/1427436724.db2.gz GAYSLTGDBKHYSY-VAMGGRTRSA-N 2 0 343.515 3.251 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001731506509 1427493360 /nfs/dbraw/zinc/49/33/60/1427493360.db2.gz DFOGCKJOFJSCEB-HXUWFJFHSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001731536200 1427533700 /nfs/dbraw/zinc/53/37/00/1427533700.db2.gz MCUPVJJSKXHXLZ-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001731572774 1427615475 /nfs/dbraw/zinc/61/54/75/1427615475.db2.gz KSUZESLUQOFBFI-GTPINHCMSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001731720675 1427789818 /nfs/dbraw/zinc/78/98/18/1427789818.db2.gz OPEXWJBEQSXYEJ-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001731727618 1427802208 /nfs/dbraw/zinc/80/22/08/1427802208.db2.gz RNVZWFMQQMWRCP-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001731729854 1427805227 /nfs/dbraw/zinc/80/52/27/1427805227.db2.gz VZLZPMCURNQMLL-IAGOWNOFSA-N 2 0 331.504 3.025 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC1CCCCCC1 ZINC001731868543 1428119862 /nfs/dbraw/zinc/11/98/62/1428119862.db2.gz AFOZBIQTCLVPKJ-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001731972627 1428189822 /nfs/dbraw/zinc/18/98/22/1428189822.db2.gz VFYOZKXONLMMHW-QGZVFWFLSA-N 2 0 341.499 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(CC1)CC[NH+](CC1CC(C)C1)CC2 ZINC001733910940 1437729170 /nfs/dbraw/zinc/72/91/70/1437729170.db2.gz FBGYKIOYDNUSSV-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@H](CC)c1ccccc1 ZINC001733938713 1437754001 /nfs/dbraw/zinc/75/40/01/1437754001.db2.gz RLULYEMAJQTIJE-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP Cc1cc(C)cc(C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001734053641 1437843800 /nfs/dbraw/zinc/84/38/00/1437843800.db2.gz PHPAAGAKGYEUHY-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2ccccc2F)C1 ZINC001734128683 1437906591 /nfs/dbraw/zinc/90/65/91/1437906591.db2.gz NTZRKKPEWMUMAH-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CCCCCC2)C[C@H]1C ZINC001734430548 1438094299 /nfs/dbraw/zinc/09/42/99/1438094299.db2.gz WKFJXACQGPTCDD-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C)C1CCC1 ZINC001734560721 1438158557 /nfs/dbraw/zinc/15/85/57/1438158557.db2.gz HQXPLAKJPGJIEV-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CCc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C)cc1 ZINC001734575201 1438168519 /nfs/dbraw/zinc/16/85/19/1438168519.db2.gz PRJNFHHBQMJXIN-RTBURBONSA-N 2 0 347.547 3.210 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CC2CCCCC2)C1 ZINC001734605452 1438185633 /nfs/dbraw/zinc/18/56/33/1438185633.db2.gz QECQMSIUNSKJSP-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1cccc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001751975406 1440130045 /nfs/dbraw/zinc/13/00/45/1440130045.db2.gz SWBYVCUNAPDBOJ-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752008424 1440132356 /nfs/dbraw/zinc/13/23/56/1440132356.db2.gz GJVXZHQWYJOKOK-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCC1CCCCC1 ZINC001752121681 1440142619 /nfs/dbraw/zinc/14/26/19/1440142619.db2.gz MOOSEUPFWLZBIQ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001752156176 1440147219 /nfs/dbraw/zinc/14/72/19/1440147219.db2.gz JDFUQBVDTSJIIV-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(C)cc1 ZINC001752181764 1440151125 /nfs/dbraw/zinc/15/11/25/1440151125.db2.gz KHSZGTYGYATKDQ-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1ccsc1 ZINC001752219415 1440156121 /nfs/dbraw/zinc/15/61/21/1440156121.db2.gz JNPIZDQHGNZCQP-QZTJIDSGSA-N 2 0 349.544 3.093 20 0 EGADRP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001752426238 1440177048 /nfs/dbraw/zinc/17/70/48/1440177048.db2.gz ICGMTJSHQBGGQN-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CCCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001752442415 1440181523 /nfs/dbraw/zinc/18/15/23/1440181523.db2.gz TUHQKDRARSSQSP-HDICACEKSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752508333 1440190054 /nfs/dbraw/zinc/19/00/54/1440190054.db2.gz QVXHNUMIZSZJPJ-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001752520465 1440192479 /nfs/dbraw/zinc/19/24/79/1440192479.db2.gz YYKHXFHPPBVDFW-VQTJNVASSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC1CCC1)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001752524634 1440192641 /nfs/dbraw/zinc/19/26/41/1440192641.db2.gz GJEMIWUXLALSDL-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752639525 1440197535 /nfs/dbraw/zinc/19/75/35/1440197535.db2.gz NYCVUWIHBMFBEC-NCXUSEDFSA-N 2 0 337.552 3.026 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752709152 1440203276 /nfs/dbraw/zinc/20/32/76/1440203276.db2.gz ZDECMHWDZDLTIZ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC001752765072 1440205483 /nfs/dbraw/zinc/20/54/83/1440205483.db2.gz GWJBBVMEBZOUNU-GDAAHCPNSA-N 2 0 331.504 3.105 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752826992 1440223995 /nfs/dbraw/zinc/22/39/95/1440223995.db2.gz IGDJXHBJGSSDSL-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001752828237 1440224608 /nfs/dbraw/zinc/22/46/08/1440224608.db2.gz SQCXYGLEPITDKR-KPDZFXRVSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001752853554 1440234251 /nfs/dbraw/zinc/23/42/51/1440234251.db2.gz NJFGWMRFZABEFB-VIQWUECVSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001752889844 1440240660 /nfs/dbraw/zinc/24/06/60/1440240660.db2.gz BCVKMNOQUZYSNT-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001752976257 1440256137 /nfs/dbraw/zinc/25/61/37/1440256137.db2.gz LYZJAELUWRYPBO-MOPGFXCFSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)c1ccccc1F ZINC001753086186 1440296234 /nfs/dbraw/zinc/29/62/34/1440296234.db2.gz HQUZMROPACRBAN-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001753102760 1440304879 /nfs/dbraw/zinc/30/48/79/1440304879.db2.gz CLUAHNQIOOQBAP-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001753112881 1440309664 /nfs/dbraw/zinc/30/96/64/1440309664.db2.gz IFXNKTVPZMUUKE-WYNBNGFRSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCC[N@@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001753128749 1440315917 /nfs/dbraw/zinc/31/59/17/1440315917.db2.gz JPJJTGYKRXBOOT-OAHLLOKOSA-N 2 0 337.533 3.052 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753139304 1440320406 /nfs/dbraw/zinc/32/04/06/1440320406.db2.gz YPDREBQYTZQAMN-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccc(C(C)C)cc1 ZINC001753294218 1440351493 /nfs/dbraw/zinc/35/14/93/1440351493.db2.gz HQTAKIVLGNDAAD-IBGZPJMESA-N 2 0 343.515 3.205 20 0 EGADRP CC(C)=CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001753300544 1440353984 /nfs/dbraw/zinc/35/39/84/1440353984.db2.gz VSOKHDSYYIVYHL-LJQANCHMSA-N 2 0 343.515 3.274 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753319122 1440361842 /nfs/dbraw/zinc/36/18/42/1440361842.db2.gz ASYVZRMRPBIHOU-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)NCC[C@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001753340052 1440374831 /nfs/dbraw/zinc/37/48/31/1440374831.db2.gz XLBICWARYYWEIL-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001753341394 1440375695 /nfs/dbraw/zinc/37/56/95/1440375695.db2.gz XENJSTPZSXNHLJ-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753349965 1440377424 /nfs/dbraw/zinc/37/74/24/1440377424.db2.gz ZSZDXSCNCLVSFM-INIZCTEOSA-N 2 0 349.544 3.170 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001753351508 1440378064 /nfs/dbraw/zinc/37/80/64/1440378064.db2.gz FDSULUHPTKDTKK-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001753358164 1440381163 /nfs/dbraw/zinc/38/11/63/1440381163.db2.gz KKOCJQOKJVQETN-QUCCMNQESA-N 2 0 345.531 3.260 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753361039 1440382671 /nfs/dbraw/zinc/38/26/71/1440382671.db2.gz VIWDHTAQEZFTEO-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753368915 1440386791 /nfs/dbraw/zinc/38/67/91/1440386791.db2.gz GXAUFWBJNYIZTB-CMKODMSKSA-N 2 0 345.531 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001753446264 1440403999 /nfs/dbraw/zinc/40/39/99/1440403999.db2.gz HFLLENGMNLEOIE-MOPGFXCFSA-N 2 0 345.531 3.239 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001753458754 1440409341 /nfs/dbraw/zinc/40/93/41/1440409341.db2.gz KBEIZIUKLLVIML-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001753458546 1440409537 /nfs/dbraw/zinc/40/95/37/1440409537.db2.gz ILHWWKUXGQUSGX-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001753510465 1440425852 /nfs/dbraw/zinc/42/58/52/1440425852.db2.gz NYSWCOWSJSSSEC-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001753510466 1440425879 /nfs/dbraw/zinc/42/58/79/1440425879.db2.gz NYSWCOWSJSSSEC-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001753547831 1440434577 /nfs/dbraw/zinc/43/45/77/1440434577.db2.gz FJRFJAHLHREYJE-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[NH2+]CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001753575506 1440439161 /nfs/dbraw/zinc/43/91/61/1440439161.db2.gz KOKZLVWSBSIKJJ-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001753585199 1440441173 /nfs/dbraw/zinc/44/11/73/1440441173.db2.gz XFSGOJYPPNPCAO-UWCDRFHNSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001753594489 1440444006 /nfs/dbraw/zinc/44/40/06/1440444006.db2.gz DIOGPXJITZUTRJ-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001753616210 1440449700 /nfs/dbraw/zinc/44/97/00/1440449700.db2.gz AWXVLYZDTPWFRB-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CCC1CCCCC1 ZINC001753621679 1440450534 /nfs/dbraw/zinc/45/05/34/1440450534.db2.gz QHIHJXUQYPCYEL-SFHVURJKSA-N 2 0 349.563 3.175 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2F)CCCC1 ZINC001753670624 1440461890 /nfs/dbraw/zinc/46/18/90/1440461890.db2.gz CIIUDKORDADIBB-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001753695594 1440467369 /nfs/dbraw/zinc/46/73/69/1440467369.db2.gz SURIIWRJYZDITE-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001753700173 1440468406 /nfs/dbraw/zinc/46/84/06/1440468406.db2.gz HTQUGQPZVFVABB-AWEZNQCLSA-N 2 0 330.476 3.129 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@@H](C)c1ccccc1 ZINC001753788466 1440488523 /nfs/dbraw/zinc/48/85/23/1440488523.db2.gz PRENIWVAEDBVJX-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753810952 1440492730 /nfs/dbraw/zinc/49/27/30/1440492730.db2.gz CWRVHKZISILEBI-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753816583 1440494206 /nfs/dbraw/zinc/49/42/06/1440494206.db2.gz RVSQPUJXTUZPSQ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001753819807 1440495299 /nfs/dbraw/zinc/49/52/99/1440495299.db2.gz DXDZCGLZUAZQEM-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855143 1440508557 /nfs/dbraw/zinc/50/85/57/1440508557.db2.gz MQJNRCPETPZHRD-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753866915 1440514916 /nfs/dbraw/zinc/51/49/16/1440514916.db2.gz WTSYJEIIBRUCJO-KRWDZBQOSA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001754119918 1440542692 /nfs/dbraw/zinc/54/26/92/1440542692.db2.gz OMWOXARCSXZWTE-OVKVCFKUSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H]([NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001754155884 1440545592 /nfs/dbraw/zinc/54/55/92/1440545592.db2.gz CFFGBAOKFRMJIU-APHBUQMISA-N 2 0 347.478 3.023 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1 ZINC001754209833 1440550961 /nfs/dbraw/zinc/55/09/61/1440550961.db2.gz MDUNOTZHCHPETH-NSCUHMNNSA-N 2 0 347.547 3.095 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cc1C ZINC001754267201 1440560859 /nfs/dbraw/zinc/56/08/59/1440560859.db2.gz AXLLKWIMOIHIPZ-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754285727 1440564121 /nfs/dbraw/zinc/56/41/21/1440564121.db2.gz IZVBOJRRHWOGKE-ROUUACIJSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cccc2ccccc21 ZINC001754337196 1440587197 /nfs/dbraw/zinc/58/71/97/1440587197.db2.gz UCCUXRDECMPZPJ-QGZVFWFLSA-N 2 0 341.499 3.117 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC001754490928 1440609996 /nfs/dbraw/zinc/60/99/96/1440609996.db2.gz YRNJVEFCDDUOIY-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754495903 1440612359 /nfs/dbraw/zinc/61/23/59/1440612359.db2.gz AVJBSURGQGNJGA-PXNSSMCTSA-N 2 0 345.531 3.403 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754500674 1440614119 /nfs/dbraw/zinc/61/41/19/1440614119.db2.gz QLFRXGPNSLKBQA-XLIONFOSSA-N 2 0 345.531 3.403 20 0 EGADRP CC/C=C/CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001754539762 1440625743 /nfs/dbraw/zinc/62/57/43/1440625743.db2.gz VANMJIYDCSQHAP-ZBWOGFRMSA-N 2 0 349.563 3.388 20 0 EGADRP CCC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001754540409 1440626010 /nfs/dbraw/zinc/62/60/10/1440626010.db2.gz UQWWQJSGMVZPGT-VJAZFAGPSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001754558636 1440632921 /nfs/dbraw/zinc/63/29/21/1440632921.db2.gz YDOFNHPWIKTHFD-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)CCCC[NH+]1CCCC1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001754588499 1440640337 /nfs/dbraw/zinc/64/03/37/1440640337.db2.gz YPJXUJXDPVSNRB-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)C1 ZINC001754628969 1440647189 /nfs/dbraw/zinc/64/71/89/1440647189.db2.gz MJXDDJNTZGVRCW-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001754655206 1440653262 /nfs/dbraw/zinc/65/32/62/1440653262.db2.gz ZMHJSPKYFDHOSF-FUHWJXTLSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCC2CCCCC2)C2CCCC2)C1 ZINC001754656898 1440653795 /nfs/dbraw/zinc/65/37/95/1440653795.db2.gz WRGRFKUJNIJVOO-VQTJNVASSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001754705827 1440668958 /nfs/dbraw/zinc/66/89/58/1440668958.db2.gz MDGWMOANERZKSA-RXVVDRJESA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CCCC2CCCC2)C1 ZINC001754729280 1440678179 /nfs/dbraw/zinc/67/81/79/1440678179.db2.gz HACKDUPZEASMOI-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001754797774 1440689827 /nfs/dbraw/zinc/68/98/27/1440689827.db2.gz TVZDBZAYXCMKKG-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001754807196 1440691434 /nfs/dbraw/zinc/69/14/34/1440691434.db2.gz MODOUWGCJCDONG-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001754953969 1440715759 /nfs/dbraw/zinc/71/57/59/1440715759.db2.gz SRWNXFAXBLTGFL-UFYCRDLUSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001754980482 1440721126 /nfs/dbraw/zinc/72/11/26/1440721126.db2.gz DWKMERYDXUIEOO-ROUUACIJSA-N 2 0 337.552 3.170 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001755033760 1440733058 /nfs/dbraw/zinc/73/30/58/1440733058.db2.gz DQDMTURMSUNNBK-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001755041695 1440737744 /nfs/dbraw/zinc/73/77/44/1440737744.db2.gz CNHXITWRGHJOKQ-MRXNPFEDSA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001755048034 1440742349 /nfs/dbraw/zinc/74/23/49/1440742349.db2.gz SVTDRGNGEGXMDJ-PMACEKPBSA-N 2 0 349.563 3.243 20 0 EGADRP CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001755073656 1440747646 /nfs/dbraw/zinc/74/76/46/1440747646.db2.gz BVZSJDAEGVVORI-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC1([NH2+]CC2CC2)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755074898 1440748214 /nfs/dbraw/zinc/74/82/14/1440748214.db2.gz QBFIZAACSJVOSM-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001755079446 1440750257 /nfs/dbraw/zinc/75/02/57/1440750257.db2.gz KGFGBRLMMVPCGH-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]CCC3CCCC3)CC2)CC1 ZINC001755133725 1440757739 /nfs/dbraw/zinc/75/77/39/1440757739.db2.gz AZQFXDKBKANPEG-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001755165856 1440767135 /nfs/dbraw/zinc/76/71/35/1440767135.db2.gz SYNORJJIXNDMGN-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001755168083 1440768037 /nfs/dbraw/zinc/76/80/37/1440768037.db2.gz WWTBCYLPSKNJTE-QRMWTIMZSA-N 2 0 349.563 3.432 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccccc1C ZINC001755200349 1440779350 /nfs/dbraw/zinc/77/93/50/1440779350.db2.gz GNEQYCSZMBYMOR-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC2(CCC2)C1 ZINC001755306977 1440811349 /nfs/dbraw/zinc/81/13/49/1440811349.db2.gz WGNDBEXJCSKJCD-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCC1)C1CCC1 ZINC001755363201 1440832880 /nfs/dbraw/zinc/83/28/80/1440832880.db2.gz DLFKHZASCCCXBX-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001755367668 1440835538 /nfs/dbraw/zinc/83/55/38/1440835538.db2.gz HTTKOTBHCGKXSR-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001755367715 1440835722 /nfs/dbraw/zinc/83/57/22/1440835722.db2.gz JCFKOMVXDNKGMB-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755376551 1440838280 /nfs/dbraw/zinc/83/82/80/1440838280.db2.gz FQXSWCFNTACHBN-FUHWJXTLSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755389390 1440841685 /nfs/dbraw/zinc/84/16/85/1440841685.db2.gz VSQYVYCHNGDDJI-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001755391418 1440842199 /nfs/dbraw/zinc/84/21/99/1440842199.db2.gz KBVFYZNHSKFRAX-GOSISDBHSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[N@H+](CCC3CCCCC3)CC2(C)C)CCC1 ZINC001755411685 1440846576 /nfs/dbraw/zinc/84/65/76/1440846576.db2.gz GBZIUWSFWKXTBW-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755413233 1440847311 /nfs/dbraw/zinc/84/73/11/1440847311.db2.gz VMWKNUGTCPPGCR-ZSQQTYLHSA-N 2 0 349.563 3.434 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001755479743 1440859909 /nfs/dbraw/zinc/85/99/09/1440859909.db2.gz YXILFKPLJMBKFJ-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001755553130 1440872649 /nfs/dbraw/zinc/87/26/49/1440872649.db2.gz LSAPXIMTZRPRQY-AZUAARDMSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001755564097 1440875155 /nfs/dbraw/zinc/87/51/55/1440875155.db2.gz QOZFHESQIQRJTK-LJQANCHMSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001755588206 1440880841 /nfs/dbraw/zinc/88/08/41/1440880841.db2.gz UODRTKXVAHRPMZ-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001755707863 1440903047 /nfs/dbraw/zinc/90/30/47/1440903047.db2.gz JSDPTBIZVKBDBR-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001755722001 1440907821 /nfs/dbraw/zinc/90/78/21/1440907821.db2.gz DNQKLVXKDTXWDH-DLBZAZTESA-N 2 0 325.541 3.122 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001755724727 1440909105 /nfs/dbraw/zinc/90/91/05/1440909105.db2.gz XHIKCFIQKMCXEF-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001755743601 1440912076 /nfs/dbraw/zinc/91/20/76/1440912076.db2.gz KRMGKDOEDZKXHV-QUCCMNQESA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001755746030 1440912503 /nfs/dbraw/zinc/91/25/03/1440912503.db2.gz KQGFABDHPHZKFF-PKOBYXMFSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)C[NH+](C)CC(C)(C)C ZINC001755812578 1440921282 /nfs/dbraw/zinc/92/12/82/1440921282.db2.gz SAYDDJPHIHIBKJ-UHFFFAOYSA-N 2 0 347.547 3.333 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001755836066 1440930154 /nfs/dbraw/zinc/93/01/54/1440930154.db2.gz MFOGHCQVWZXYRX-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001755836107 1440930418 /nfs/dbraw/zinc/93/04/18/1440930418.db2.gz NAIXLZUPHXSSGH-ABHNRTSZSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001755850893 1440934763 /nfs/dbraw/zinc/93/47/63/1440934763.db2.gz MNNJKNPJSPXLNF-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001755862673 1440937054 /nfs/dbraw/zinc/93/70/54/1440937054.db2.gz UBWLVOILBNSRPD-OLFFVLKBSA-N 2 0 335.536 3.185 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001755894899 1440942617 /nfs/dbraw/zinc/94/26/17/1440942617.db2.gz OXICIUGUZUMSOZ-GOSISDBHSA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC(F)C4)CC3)c2)CC1 ZINC001164415838 718884354 /nfs/dbraw/zinc/88/43/54/718884354.db2.gz NLNSCULPJRHWMY-UHFFFAOYSA-N 2 0 333.451 3.273 20 0 EGADRP c1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)ncc1C[NH+]1CCCC1 ZINC001164417313 718892675 /nfs/dbraw/zinc/89/26/75/718892675.db2.gz JJFFVPDELXYRQU-LJQANCHMSA-N 2 0 328.504 3.036 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(C3C[NH2+]C3)CC2)nc1 ZINC001164614511 719037932 /nfs/dbraw/zinc/03/79/32/719037932.db2.gz CNCSDBVOENAVNN-HXUWFJFHSA-N 2 0 342.531 3.454 20 0 EGADRP Cc1cc(N2CCCC2)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165046678 721964779 /nfs/dbraw/zinc/96/47/79/721964779.db2.gz MPZSSSWRRWRBSF-GOSISDBHSA-N 2 0 343.519 3.230 20 0 EGADRP Cc1c[nH+]c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1N ZINC001164996211 722207059 /nfs/dbraw/zinc/20/70/59/722207059.db2.gz RJJZSQUJZWOJEP-FQEVSTJZSA-N 2 0 340.446 3.356 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC2(CCCC2)CC1)c1ccccc1 ZINC000354793480 282237945 /nfs/dbraw/zinc/23/79/45/282237945.db2.gz QLCOACOLCQKCIA-LJQANCHMSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000178008975 232056301 /nfs/dbraw/zinc/05/63/01/232056301.db2.gz YSAXEVFKVQBRSQ-YPMHNXCESA-N 2 0 329.257 3.203 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)oc21 ZINC000181733972 234302380 /nfs/dbraw/zinc/30/23/80/234302380.db2.gz DGWPHUSAAPUKFV-NVXWUHKLSA-N 2 0 346.471 3.329 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCCCC1 ZINC000184130325 235314187 /nfs/dbraw/zinc/31/41/87/235314187.db2.gz AMYGBJHXGGDCFA-UHFFFAOYSA-N 2 0 343.515 3.020 20 0 EGADRP CCn1nccc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000130905997 223187021 /nfs/dbraw/zinc/18/70/21/223187021.db2.gz VKIJRIYYMOETBW-UHFFFAOYSA-N 2 0 326.488 3.247 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193994275 240393047 /nfs/dbraw/zinc/39/30/47/240393047.db2.gz NZJNULSDAGDAOC-QHAWAJNXSA-N 2 0 340.511 3.446 20 0 EGADRP [NH3+][C@@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237888226 242840055 /nfs/dbraw/zinc/84/00/55/242840055.db2.gz TUQDXSFOTAHAAS-VQTJNVASSA-N 2 0 337.467 3.030 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000020004527 212093778 /nfs/dbraw/zinc/09/37/78/212093778.db2.gz FWUAWNGOVFAJOU-CYBMUJFWSA-N 2 0 330.303 3.282 20 0 EGADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccncc1 ZINC000156613496 296158661 /nfs/dbraw/zinc/15/86/61/296158661.db2.gz RLDNBVJENWEOKK-HZPDHXFCSA-N 2 0 342.462 3.384 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000262626334 245075016 /nfs/dbraw/zinc/07/50/16/245075016.db2.gz FZPMROGJDVIRHE-APWZRJJASA-N 2 0 339.483 3.240 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262711590 245137171 /nfs/dbraw/zinc/13/71/71/245137171.db2.gz QPJIMTIQYFMMMT-OXJNMPFZSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccccc1 ZINC000262855374 245215974 /nfs/dbraw/zinc/21/59/74/245215974.db2.gz KOQHYPSYZXTMBO-KKSFZXQISA-N 2 0 339.483 3.106 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000264043732 246008885 /nfs/dbraw/zinc/00/88/85/246008885.db2.gz QUFSPHKDYPJCAV-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264263198 246258783 /nfs/dbraw/zinc/25/87/83/246258783.db2.gz QBNGTQYCZCOJPA-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@H]3C)cc12 ZINC000377348539 169013960 /nfs/dbraw/zinc/01/39/60/169013960.db2.gz VNVQSWVDGKFULL-OXJNMPFZSA-N 2 0 349.482 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000236917558 284736284 /nfs/dbraw/zinc/73/62/84/284736284.db2.gz FBLVUBXICUUPDR-FXAWDEMLSA-N 2 0 345.531 3.170 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccnc1 ZINC000092741133 218163966 /nfs/dbraw/zinc/16/39/66/218163966.db2.gz JVOLXNXCHUPUEM-LJQANCHMSA-N 2 0 338.499 3.335 20 0 EGADRP CC[C@@H](C)C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000093067019 218191475 /nfs/dbraw/zinc/19/14/75/218191475.db2.gz UJUXVYZOVPQEIB-QGZVFWFLSA-N 2 0 334.504 3.312 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000093688667 218242464 /nfs/dbraw/zinc/24/24/64/218242464.db2.gz OTOPYDAJYURZEC-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP COC[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CCOCC1 ZINC000188267706 285232286 /nfs/dbraw/zinc/23/22/86/285232286.db2.gz FHSWIYWATGSEFC-SOAGJPPSSA-N 2 0 338.536 3.061 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349039479 285281929 /nfs/dbraw/zinc/28/19/29/285281929.db2.gz YEDAUHUDAFFYBL-IBGZPJMESA-N 2 0 346.494 3.155 20 0 EGADRP C[C@H](C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccccc1 ZINC000116993730 221020452 /nfs/dbraw/zinc/02/04/52/221020452.db2.gz WNIRGFGGNGLDOO-VAMGGRTRSA-N 2 0 329.532 3.281 20 0 EGADRP c1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000119043160 221231393 /nfs/dbraw/zinc/23/13/93/221231393.db2.gz CNVAMSWBWHCYPS-GOSISDBHSA-N 2 0 340.471 3.229 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2c(c1)CCC2 ZINC000132859855 533340692 /nfs/dbraw/zinc/34/06/92/533340692.db2.gz BYQKNNKFKLRBTD-SJORKVTESA-N 2 0 328.500 3.327 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000677803889 549333657 /nfs/dbraw/zinc/33/36/57/549333657.db2.gz BAOFAODJARRVPN-GOSISDBHSA-N 2 0 335.923 3.333 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccc(Cl)cc43)C2)CC1 ZINC000677804996 549334031 /nfs/dbraw/zinc/33/40/31/549334031.db2.gz JIDOLCVUFZPHDI-YLJYHZDGSA-N 2 0 347.934 3.476 20 0 EGADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246985616 141047600 /nfs/dbraw/zinc/04/76/00/141047600.db2.gz JZNDJAWVIFRHQZ-XGHQBKJUSA-N 2 0 339.483 3.135 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)C[C@H]1C ZINC000346447441 141196343 /nfs/dbraw/zinc/19/63/43/141196343.db2.gz RBWJBJCJWABNFI-NEPJUHHUSA-N 2 0 332.357 3.005 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000353475342 141305368 /nfs/dbraw/zinc/30/53/68/141305368.db2.gz XEPYDWSOZYHZIB-MOPGFXCFSA-N 2 0 329.488 3.245 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000354578954 141309133 /nfs/dbraw/zinc/30/91/33/141309133.db2.gz ZEZIYWRRTDBVRA-UHFFFAOYSA-N 2 0 332.488 3.350 20 0 EGADRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cscc1C(F)(F)F ZINC000356313018 141339482 /nfs/dbraw/zinc/33/94/82/141339482.db2.gz DBMPGOREJYIDTJ-UHFFFAOYSA-N 2 0 349.466 3.225 20 0 EGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000178651160 144073642 /nfs/dbraw/zinc/07/36/42/144073642.db2.gz WDUVHKPZZAAKPS-CABCVRRESA-N 2 0 347.528 3.082 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cn(C(C)C)nc2C)CC1 ZINC000343557444 144197048 /nfs/dbraw/zinc/19/70/48/144197048.db2.gz VSEIWQDSRLABRO-UHFFFAOYSA-N 2 0 336.524 3.095 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOC(c3ccccc3)c3ccccc3)C[C@H]12 ZINC000351475177 144266289 /nfs/dbraw/zinc/26/62/89/144266289.db2.gz HQNOYIDYPAUUCD-PCCBWWKXSA-N 2 0 336.479 3.462 20 0 EGADRP C[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000351474013 144266625 /nfs/dbraw/zinc/26/66/25/144266625.db2.gz XCVZWDRYJQHMPZ-TZIWHRDSSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351695828 144291525 /nfs/dbraw/zinc/29/15/25/144291525.db2.gz PWLDDVRRLRXTOU-GOSISDBHSA-N 2 0 349.519 3.192 20 0 EGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000351847702 144315976 /nfs/dbraw/zinc/31/59/76/144315976.db2.gz AUMRWNMRGZQCTG-WMZOPIPTSA-N 2 0 337.467 3.351 20 0 EGADRP CC(C)[NH+]1CCC(Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)CC1 ZINC000363861496 144372219 /nfs/dbraw/zinc/37/22/19/144372219.db2.gz MOUYOGOXLUJOLA-UHFFFAOYSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119957054 152240511 /nfs/dbraw/zinc/24/05/11/152240511.db2.gz YALKQUUSTUZETP-HOTGVXAUSA-N 2 0 340.533 3.251 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120888969 152308394 /nfs/dbraw/zinc/30/83/94/152308394.db2.gz WVPVVGPNEYSQDO-IRXDYDNUSA-N 2 0 335.561 3.333 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000189217666 153057366 /nfs/dbraw/zinc/05/73/66/153057366.db2.gz CDDWWRIFZWHSCO-UXHICEINSA-N 2 0 328.500 3.456 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000192918677 153266144 /nfs/dbraw/zinc/26/61/44/153266144.db2.gz SKFMVNCUALOYIL-HAGHYFMRSA-N 2 0 326.484 3.056 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000193058573 153273886 /nfs/dbraw/zinc/27/38/86/153273886.db2.gz QJVFXEGORNQYQB-MIGBEJBISA-N 2 0 332.488 3.097 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCCC3)cc2)C1 ZINC000237708746 153524107 /nfs/dbraw/zinc/52/41/07/153524107.db2.gz RMDXPMSJWGLNIE-IRXDYDNUSA-N 2 0 343.515 3.052 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000261902499 153747913 /nfs/dbraw/zinc/74/79/13/153747913.db2.gz GQVUSLMBEVNKFL-UHFFFAOYSA-N 2 0 331.504 3.419 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000323581393 154170361 /nfs/dbraw/zinc/17/03/61/154170361.db2.gz VORFWQMLUCIKQK-TZMCWYRMSA-N 2 0 328.403 3.117 20 0 EGADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)c1 ZINC000337339577 154292891 /nfs/dbraw/zinc/29/28/91/154292891.db2.gz ORJNNEVKDLEEAR-WAOWUJCRSA-N 2 0 343.515 3.198 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000339926297 155035828 /nfs/dbraw/zinc/03/58/28/155035828.db2.gz OMZZRMVTPNDTNC-HNNXBMFYSA-N 2 0 336.439 3.194 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000343439967 155812406 /nfs/dbraw/zinc/81/24/06/155812406.db2.gz GMIFWZZLGNMXNH-VAMGGRTRSA-N 2 0 344.547 3.032 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345306935 156048395 /nfs/dbraw/zinc/04/83/95/156048395.db2.gz UPWINWBVJIKDLE-DNVCBOLYSA-N 2 0 335.923 3.407 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]21 ZINC000346821076 156150412 /nfs/dbraw/zinc/15/04/12/156150412.db2.gz LFUMSQKPZMUZBA-KBRIMQKVSA-N 2 0 330.863 3.289 20 0 EGADRP CO[C@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)[C@@H](C[NH3+])C1 ZINC000346830132 156154061 /nfs/dbraw/zinc/15/40/61/156154061.db2.gz JXBLVTTUAYCKRW-CVEARBPZSA-N 2 0 334.460 3.492 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@@H]21 ZINC000346851322 156164879 /nfs/dbraw/zinc/16/48/79/156164879.db2.gz VZVSKTKQJMWPLF-FFZOFVMBSA-N 2 0 337.467 3.220 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@@H]21 ZINC000346851306 156165021 /nfs/dbraw/zinc/16/50/21/156165021.db2.gz VUGLJNQSPQBZOF-RLFYNMQTSA-N 2 0 333.907 3.499 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000349091586 156352301 /nfs/dbraw/zinc/35/23/01/156352301.db2.gz YNLRMNZVPXXDTA-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000365445586 157127198 /nfs/dbraw/zinc/12/71/98/157127198.db2.gz WPDLAWYAKORGLB-IBGZPJMESA-N 2 0 335.536 3.164 20 0 EGADRP O=C(NC1CC1)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111374854 162153058 /nfs/dbraw/zinc/15/30/58/162153058.db2.gz IUZMDDYWUOLVQL-FQEVSTJZSA-N 2 0 343.515 3.252 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000126659541 162308423 /nfs/dbraw/zinc/30/84/23/162308423.db2.gz WUZGAGBLHYVKSE-XLIONFOSSA-N 2 0 345.531 3.249 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248455072 163006149 /nfs/dbraw/zinc/00/61/49/163006149.db2.gz RGUKWIBZULQJEJ-MAUKXSAKSA-N 2 0 330.497 3.474 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1n1ccnc1 ZINC000248555512 163013253 /nfs/dbraw/zinc/01/32/53/163013253.db2.gz KOMRUEKRMYBQJX-FUHWJXTLSA-N 2 0 346.519 3.051 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000248909171 163045210 /nfs/dbraw/zinc/04/52/10/163045210.db2.gz ZLWFSCHYEKYSDD-AZUAARDMSA-N 2 0 344.547 3.004 20 0 EGADRP CN(CCC[NH+]1CCCC1)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000337269624 163189213 /nfs/dbraw/zinc/18/92/13/163189213.db2.gz LYTYMDICQSFVME-UHFFFAOYSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[N@H+](C)CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000338530234 163262112 /nfs/dbraw/zinc/26/21/12/163262112.db2.gz DAYKVWCJRPJNHY-UHFFFAOYSA-N 2 0 346.519 3.177 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccc21 ZINC000338790216 163349138 /nfs/dbraw/zinc/34/91/38/163349138.db2.gz WTOKXQJUIXFUED-OALUTQOASA-N 2 0 330.472 3.100 20 0 EGADRP CCc1oc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C(=O)OC ZINC000338945706 163399008 /nfs/dbraw/zinc/39/90/08/163399008.db2.gz RYPONEBVZAEGDC-UHFFFAOYSA-N 2 0 336.476 3.182 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000354786696 166030900 /nfs/dbraw/zinc/03/09/00/166030900.db2.gz PPCVEIKVLHZFMA-IBGZPJMESA-N 2 0 347.503 3.076 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1C ZINC000343924843 164067093 /nfs/dbraw/zinc/06/70/93/164067093.db2.gz HXSIUJKOQHFMCI-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccnc1 ZINC000343922501 164067355 /nfs/dbraw/zinc/06/73/55/164067355.db2.gz FOCFZXZMAOFHBU-GOSISDBHSA-N 2 0 328.460 3.048 20 0 EGADRP C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988184 164077637 /nfs/dbraw/zinc/07/76/37/164077637.db2.gz YQJLXJQJPFYBAN-YWZLYKJASA-N 2 0 346.421 3.252 20 0 EGADRP CCCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000343999177 164079487 /nfs/dbraw/zinc/07/94/87/164079487.db2.gz FJYPQLJYXYHEDC-MOPGFXCFSA-N 2 0 331.504 3.095 20 0 EGADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(OC)cc1 ZINC000344000070 164080136 /nfs/dbraw/zinc/08/01/36/164080136.db2.gz VWZWTQWOLBXUTE-IBGZPJMESA-N 2 0 343.471 3.272 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000344093305 164101670 /nfs/dbraw/zinc/10/16/70/164101670.db2.gz FHBFFZYBLMEIDQ-VQTJNVASSA-N 2 0 333.495 3.065 20 0 EGADRP C[C@@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000344160457 164116982 /nfs/dbraw/zinc/11/69/82/164116982.db2.gz DXDXRXLREWWOER-GHTZIAJQSA-N 2 0 329.532 3.391 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccnn1C ZINC000192897226 287041034 /nfs/dbraw/zinc/04/10/34/287041034.db2.gz KYMWDENDBNZUNP-MRXNPFEDSA-N 2 0 338.455 3.496 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000344596271 164195903 /nfs/dbraw/zinc/19/59/03/164195903.db2.gz XGOYUWGWLUCVBH-AZUAARDMSA-N 2 0 332.488 3.066 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000345672900 164239769 /nfs/dbraw/zinc/23/97/69/164239769.db2.gz WGPIZSAVIRVKBX-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000155059564 287048707 /nfs/dbraw/zinc/04/87/07/287048707.db2.gz UWBFLFJBNNMUOQ-NWDGAFQWSA-N 2 0 348.293 3.419 20 0 EGADRP Cc1ncsc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000346050783 164326527 /nfs/dbraw/zinc/32/65/27/164326527.db2.gz RXYUTWWIXNRTFV-AWEZNQCLSA-N 2 0 345.512 3.259 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000349194253 164838374 /nfs/dbraw/zinc/83/83/74/164838374.db2.gz RSIWSJKHXSCVFS-HNNXBMFYSA-N 2 0 330.501 3.302 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000350918680 165081936 /nfs/dbraw/zinc/08/19/36/165081936.db2.gz NBVGOHUEUXXZBZ-AWEZNQCLSA-N 2 0 335.517 3.009 20 0 EGADRP CN1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000352091010 165230330 /nfs/dbraw/zinc/23/03/30/165230330.db2.gz CPKXCLQCWBNEHF-GHTZIAJQSA-N 2 0 338.451 3.035 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000352378809 165371207 /nfs/dbraw/zinc/37/12/07/165371207.db2.gz QONCTOGLLXMQCA-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP CCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000355207712 166133475 /nfs/dbraw/zinc/13/34/75/166133475.db2.gz XZGZQTFSGQLWLZ-FQEVSTJZSA-N 2 0 338.499 3.149 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355378027 166179705 /nfs/dbraw/zinc/17/97/05/166179705.db2.gz YVARYYDZLKKICR-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000355742116 166293857 /nfs/dbraw/zinc/29/38/57/166293857.db2.gz SMFXHYJXJPYSGV-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000355791178 166310484 /nfs/dbraw/zinc/31/04/84/166310484.db2.gz IBXBBEZBIMGUFN-ICSRJNTNSA-N 2 0 345.531 3.278 20 0 EGADRP FC(F)(F)c1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358519760 166887602 /nfs/dbraw/zinc/88/76/02/166887602.db2.gz SNRYOZNFVNEYPQ-UHFFFAOYSA-N 2 0 328.378 3.160 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](C)C(F)(F)F)CC1 ZINC000359121105 167072741 /nfs/dbraw/zinc/07/27/41/167072741.db2.gz ABTGNWSWQAPJQC-CQSZACIVSA-N 2 0 329.410 3.117 20 0 EGADRP CC[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC)[NH+](C)C ZINC000359164517 167085603 /nfs/dbraw/zinc/08/56/03/167085603.db2.gz IGNMNMKVFAZHEJ-IAGOWNOFSA-N 2 0 339.911 3.179 20 0 EGADRP c1ccc2c(c1)CCN2CC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359208682 167096315 /nfs/dbraw/zinc/09/63/15/167096315.db2.gz CNRCUHBZFBNOGO-UHFFFAOYSA-N 2 0 327.516 3.151 20 0 EGADRP [NH3+]CCCN(Cc1cnc([C@@H]2CCCO2)s1)Cc1ccccc1 ZINC000359458164 167161412 /nfs/dbraw/zinc/16/14/12/167161412.db2.gz PIXROSJICPQTEI-KRWDZBQOSA-N 2 0 331.485 3.346 20 0 EGADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359579134 167199670 /nfs/dbraw/zinc/19/96/70/167199670.db2.gz IVJSVPRYGCVYJJ-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCN(C)c1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)cn1 ZINC000359708409 167212605 /nfs/dbraw/zinc/21/26/05/167212605.db2.gz UVLWGDWNKAMMSB-UHFFFAOYSA-N 2 0 330.451 3.028 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000359777455 167229694 /nfs/dbraw/zinc/22/96/94/167229694.db2.gz HZPWJSHMZUBBSS-INIZCTEOSA-N 2 0 340.471 3.097 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000360553063 167356187 /nfs/dbraw/zinc/35/61/87/167356187.db2.gz QNQCFUYWAPLTQK-LJQANCHMSA-N 2 0 343.496 3.394 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366254424 168098900 /nfs/dbraw/zinc/09/89/00/168098900.db2.gz HLRQKXDVERFPIK-LJQANCHMSA-N 2 0 343.515 3.275 20 0 EGADRP CC(C)c1nccn1CCC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366726209 168132455 /nfs/dbraw/zinc/13/24/55/168132455.db2.gz WGFPFPFBVZKUFT-GOSISDBHSA-N 2 0 346.519 3.310 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000367341636 168211202 /nfs/dbraw/zinc/21/12/02/168211202.db2.gz HFCLOELHJGINKN-UHFFFAOYSA-N 2 0 326.488 3.169 20 0 EGADRP C[C@@H](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000194066350 266088644 /nfs/dbraw/zinc/08/86/44/266088644.db2.gz GRUXTGRPSZKFPS-OJAHFUOMSA-N 2 0 328.500 3.444 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2)CC1 ZINC000236636128 266209155 /nfs/dbraw/zinc/20/91/55/266209155.db2.gz KNQAYTTZOGHWBA-UHFFFAOYSA-N 2 0 329.488 3.376 20 0 EGADRP C[N@H+](CCCNC(=O)CC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000237067010 266224108 /nfs/dbraw/zinc/22/41/08/266224108.db2.gz GEHDJWJEBQVBLC-FQEVSTJZSA-N 2 0 339.483 3.105 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000261810584 266264974 /nfs/dbraw/zinc/26/49/74/266264974.db2.gz RWFIEUHAXRRCAJ-IEBWSBKVSA-N 2 0 329.488 3.029 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)c1 ZINC000262666307 266265554 /nfs/dbraw/zinc/26/55/54/266265554.db2.gz PPGHFKGTZBYPHV-FQEVSTJZSA-N 2 0 339.483 3.153 20 0 EGADRP C[C@H]([NH2+]CCc1nc2ccccc2n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273318838 267019145 /nfs/dbraw/zinc/01/91/45/267019145.db2.gz WDUIYBSHNAYGRC-DLBZAZTESA-N 2 0 340.515 3.358 20 0 EGADRP CCn1nc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000274490064 267246645 /nfs/dbraw/zinc/24/66/45/267246645.db2.gz ZNJLENHNMTXHTR-IAGOWNOFSA-N 2 0 344.503 3.035 20 0 EGADRP COc1c(Br)cccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000274790497 267287154 /nfs/dbraw/zinc/28/71/54/267287154.db2.gz MKWJXCOAURNBKR-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274897816 267303202 /nfs/dbraw/zinc/30/32/02/267303202.db2.gz KQQABFMRNGHCOO-HMXCVIKNSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274900638 267304813 /nfs/dbraw/zinc/30/48/13/267304813.db2.gz LDSWFPSGEAUCBA-RBSFLKMASA-N 2 0 325.884 3.275 20 0 EGADRP OCC1(Cc2ccccc2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000277947263 267910449 /nfs/dbraw/zinc/91/04/49/267910449.db2.gz ZTLORQTWLLMLGP-UHFFFAOYSA-N 2 0 330.516 3.180 20 0 EGADRP Brc1ccsc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278484718 268023664 /nfs/dbraw/zinc/02/36/64/268023664.db2.gz KDUBDFGGWYPRQZ-UHFFFAOYSA-N 2 0 329.307 3.475 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000358282304 274122409 /nfs/dbraw/zinc/12/24/09/274122409.db2.gz CEVQLKWSKZBTPN-PWRODBHTSA-N 2 0 344.499 3.040 20 0 EGADRP CSC1(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)CC[NH+](C)CC1 ZINC000353192548 274174871 /nfs/dbraw/zinc/17/48/71/274174871.db2.gz MHQXSKPNAOJGPF-HKUYNNGSSA-N 2 0 347.572 3.239 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000185869131 274209591 /nfs/dbraw/zinc/20/95/91/274209591.db2.gz GRRAPTOZBROHOA-IBGZPJMESA-N 2 0 337.511 3.469 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154465097 274340598 /nfs/dbraw/zinc/34/05/98/274340598.db2.gz CSKYOCFEHLBGTE-SPYBWZPUSA-N 2 0 326.488 3.119 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000003949257 275116782 /nfs/dbraw/zinc/11/67/82/275116782.db2.gz AQNQFXMDJLAVOU-GOSISDBHSA-N 2 0 343.515 3.229 20 0 EGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000194895525 275229446 /nfs/dbraw/zinc/22/94/46/275229446.db2.gz BTVXBAATJQNSAZ-JXFKEZNVSA-N 2 0 344.499 3.163 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1OC ZINC000278904241 275286140 /nfs/dbraw/zinc/28/61/40/275286140.db2.gz RPSJWZKLZRFHTC-GOSISDBHSA-N 2 0 348.487 3.198 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000279121084 275305641 /nfs/dbraw/zinc/30/56/41/275305641.db2.gz VROKAOLHVUUWGA-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000282200630 275610930 /nfs/dbraw/zinc/61/09/30/275610930.db2.gz GTNWZXBCCYXPDG-RBUKOAKNSA-N 2 0 340.483 3.240 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(C)c1OC ZINC000286002666 275939602 /nfs/dbraw/zinc/93/96/02/275939602.db2.gz HQCGLWIKAUEGMZ-OAHLLOKOSA-N 2 0 334.504 3.265 20 0 EGADRP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000286871780 276052379 /nfs/dbraw/zinc/05/23/79/276052379.db2.gz HMUWPWVRGAFPDS-IAGOWNOFSA-N 2 0 342.405 3.351 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000286978314 276065736 /nfs/dbraw/zinc/06/57/36/276065736.db2.gz IWFXWFWQCFPSOQ-HQRMLTQVSA-N 2 0 333.520 3.149 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000287100371 276083558 /nfs/dbraw/zinc/08/35/58/276083558.db2.gz QALQSXUIMSPWRL-RTBURBONSA-N 2 0 344.503 3.006 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287243684 276100239 /nfs/dbraw/zinc/10/02/39/276100239.db2.gz YYNFKTXHDKNCON-STZQEDGTSA-N 2 0 338.495 3.090 20 0 EGADRP COC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845841 276162825 /nfs/dbraw/zinc/16/28/25/276162825.db2.gz WMBXPCLXFNNEDO-WBMJQRKESA-N 2 0 326.843 3.241 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000338435600 276165586 /nfs/dbraw/zinc/16/55/86/276165586.db2.gz KPXFINZUTNLHLK-KRWDZBQOSA-N 2 0 326.488 3.217 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287904240 276168223 /nfs/dbraw/zinc/16/82/23/276168223.db2.gz ZUNARHMIJFXQHI-IAGOWNOFSA-N 2 0 327.476 3.038 20 0 EGADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1O ZINC000289251960 276311258 /nfs/dbraw/zinc/31/12/58/276311258.db2.gz LXWXLXBCHNIAMZ-HNNXBMFYSA-N 2 0 336.476 3.154 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc21 ZINC000289264286 276313151 /nfs/dbraw/zinc/31/31/51/276313151.db2.gz OOTYPBCQVJPFOO-JXFKEZNVSA-N 2 0 336.483 3.172 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289404852 276333843 /nfs/dbraw/zinc/33/38/43/276333843.db2.gz GZZLKYNJOKRTCX-UHFFFAOYSA-N 2 0 330.428 3.150 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353314569 276335499 /nfs/dbraw/zinc/33/54/99/276335499.db2.gz MYJCBGUHMHIITI-QFBILLFUSA-N 2 0 334.504 3.364 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(=O)NC)cc1 ZINC000289448729 276340670 /nfs/dbraw/zinc/34/06/70/276340670.db2.gz MZSRQQLRSIOEAC-UHFFFAOYSA-N 2 0 339.483 3.130 20 0 EGADRP Cc1ccncc1CCC[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000290354407 276484410 /nfs/dbraw/zinc/48/44/10/276484410.db2.gz MDRWPSXXNGCTQU-UHFFFAOYSA-N 2 0 341.499 3.095 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000193979706 276792672 /nfs/dbraw/zinc/79/26/72/276792672.db2.gz RNTQPDQFBNISCT-VAMGGRTRSA-N 2 0 344.499 3.064 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000342283563 277113643 /nfs/dbraw/zinc/11/36/43/277113643.db2.gz HSCMEYIETXRDAD-ZIAGYGMSSA-N 2 0 325.859 3.072 20 0 EGADRP CSC1(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000356089663 278122649 /nfs/dbraw/zinc/12/26/49/278122649.db2.gz QOOBMMHRJYOICC-IYBDPMFKSA-N 2 0 326.550 3.093 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517975 288105537 /nfs/dbraw/zinc/10/55/37/288105537.db2.gz FKCXTDCYWDASPV-HYOCIYNVSA-N 2 0 347.469 3.110 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000154497595 279357026 /nfs/dbraw/zinc/35/70/26/279357026.db2.gz KJPIQQCAXPLQGI-OAQYLSRUSA-N 2 0 349.538 3.400 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCCOCC2)CC1 ZINC000356670461 279374559 /nfs/dbraw/zinc/37/45/59/279374559.db2.gz GDBJESUJNMQAPA-SJLPKXTDSA-N 2 0 349.494 3.187 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC[NH+](C)CC1 ZINC000353623587 295582909 /nfs/dbraw/zinc/58/29/09/295582909.db2.gz BJYPSURFMPWROG-MRXNPFEDSA-N 2 0 338.492 3.456 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[N@@H+]1C ZINC000180677144 297283555 /nfs/dbraw/zinc/28/35/55/297283555.db2.gz VHWDESUEYUTBFL-CVEARBPZSA-N 2 0 336.907 3.461 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC000118782824 298029581 /nfs/dbraw/zinc/02/95/81/298029581.db2.gz AAGXFHZPSBJIIK-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000091334794 298619342 /nfs/dbraw/zinc/61/93/42/298619342.db2.gz DWDDBADSHCGMSM-OXQOHEQNSA-N 2 0 333.495 3.283 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC000376017930 298887906 /nfs/dbraw/zinc/88/79/06/298887906.db2.gz GSASUXVXSPRLST-NJINODPHSA-N 2 0 339.524 3.285 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@@H]1CCOC1 ZINC000120684994 307509855 /nfs/dbraw/zinc/50/98/55/307509855.db2.gz RNOICTRXUAGIBU-TZIWHRDSSA-N 2 0 346.515 3.312 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120944791 307513204 /nfs/dbraw/zinc/51/32/04/307513204.db2.gz LTYCSDLCWRQXFQ-RBUKOAKNSA-N 2 0 347.547 3.256 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000129575118 307616770 /nfs/dbraw/zinc/61/67/70/307616770.db2.gz RABFBBJDQJGBQL-GDBMZVCRSA-N 2 0 347.469 3.256 20 0 EGADRP CSC1(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000414169366 309064489 /nfs/dbraw/zinc/06/44/89/309064489.db2.gz VLXSGQZHYAZZBX-CABCVRRESA-N 2 0 328.566 3.386 20 0 EGADRP CN(c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000245684782 307956223 /nfs/dbraw/zinc/95/62/23/307956223.db2.gz AJGYQDGGHACSRG-ROUUACIJSA-N 2 0 327.516 3.449 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000248759253 308011259 /nfs/dbraw/zinc/01/12/59/308011259.db2.gz VTFGHLJZDUHNRW-UTKZUKDTSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000249177560 308020577 /nfs/dbraw/zinc/02/05/77/308020577.db2.gz GCEKKLMIBNLNPS-ACRUOGEOSA-N 2 0 330.516 3.323 20 0 EGADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000293418438 308128682 /nfs/dbraw/zinc/12/86/82/308128682.db2.gz SNYIMPYNTIJBCW-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293771097 308160514 /nfs/dbraw/zinc/16/05/14/308160514.db2.gz PPNXXFSEZCYYOY-HXUWFJFHSA-N 2 0 349.950 3.278 20 0 EGADRP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000293788576 308162098 /nfs/dbraw/zinc/16/20/98/308162098.db2.gz AGTLUKPLGYKXDB-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293807482 308163550 /nfs/dbraw/zinc/16/35/50/308163550.db2.gz RLBSXRBBGJSZFX-HOTGVXAUSA-N 2 0 343.471 3.168 20 0 EGADRP Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1F ZINC000294928563 308272901 /nfs/dbraw/zinc/27/29/01/308272901.db2.gz BWQUOLHQLZHCCQ-HXUWFJFHSA-N 2 0 342.458 3.381 20 0 EGADRP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000294937822 308273752 /nfs/dbraw/zinc/27/37/52/308273752.db2.gz BZIVCNWGSSOQGW-SXLOBPIMSA-N 2 0 345.531 3.132 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000294949905 308275378 /nfs/dbraw/zinc/27/53/78/308275378.db2.gz CCTGSSZIGBUKDW-FQEVSTJZSA-N 2 0 343.515 3.109 20 0 EGADRP CS[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000295049979 308285476 /nfs/dbraw/zinc/28/54/76/308285476.db2.gz NJIIHQOMWDIHGC-GOSISDBHSA-N 2 0 333.545 3.154 20 0 EGADRP CCc1ccc2[nH+]ccc(N[C@@H](C)CC[NH+]3CCN(C)CC3)c2c1 ZINC000295135690 308295494 /nfs/dbraw/zinc/29/54/94/308295494.db2.gz YSXYCPSVHWVZHS-INIZCTEOSA-N 2 0 326.488 3.235 20 0 EGADRP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000295148328 308296924 /nfs/dbraw/zinc/29/69/24/308296924.db2.gz QWHCHDHJXNIGNN-MJUUVYJYSA-N 2 0 330.516 3.285 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCc1ccccc1 ZINC000414654224 309093822 /nfs/dbraw/zinc/09/38/22/309093822.db2.gz BPFMTKIUXFKLNN-VQIMIIECSA-N 2 0 340.467 3.443 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]1 ZINC000414709373 309096593 /nfs/dbraw/zinc/09/65/93/309096593.db2.gz JWBYFZONYRSEIC-CPUCHLNUSA-N 2 0 342.405 3.467 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000414712731 309096791 /nfs/dbraw/zinc/09/67/91/309096791.db2.gz ODKLGCAGWJECKB-INIZCTEOSA-N 2 0 344.503 3.264 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](CC1CCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718494 309097195 /nfs/dbraw/zinc/09/71/95/309097195.db2.gz ZECHAWQJWIRZHV-MJGOQNOKSA-N 2 0 343.515 3.047 20 0 EGADRP C[C@H]1C[C@@H](C[N@@H+]2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414673105 309094890 /nfs/dbraw/zinc/09/48/90/309094890.db2.gz QGJDEVORNRXPCH-FPOVZHCZSA-N 2 0 329.532 3.015 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NCC1([NH3+])CCC1)C1CCCCC1 ZINC000414719395 309097341 /nfs/dbraw/zinc/09/73/41/309097341.db2.gz YIAZNAJJZSUKHN-UHFFFAOYSA-N 2 0 344.503 3.454 20 0 EGADRP COc1ccccc1COC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414742454 309098522 /nfs/dbraw/zinc/09/85/22/309098522.db2.gz GGZKAPUCHOWXQK-SJORKVTESA-N 2 0 332.488 3.064 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000414789194 309101532 /nfs/dbraw/zinc/10/15/32/309101532.db2.gz XXOBLKCMFQLDDV-LSDHHAIUSA-N 2 0 330.501 3.095 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298229735 308595556 /nfs/dbraw/zinc/59/55/56/308595556.db2.gz BDJLJMWLEUMTNG-QZTJIDSGSA-N 3 0 330.520 3.008 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414803921 309102518 /nfs/dbraw/zinc/10/25/18/309102518.db2.gz DGBKKVNWXWZUGX-ZDUSSCGKSA-N 2 0 325.884 3.473 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000414807408 309102895 /nfs/dbraw/zinc/10/28/95/309102895.db2.gz QYOCWQZJRYSMDL-TZMCWYRMSA-N 2 0 327.266 3.065 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414832185 309104543 /nfs/dbraw/zinc/10/45/43/309104543.db2.gz OAJCQEOJFJZZSR-QGZVFWFLSA-N 2 0 340.515 3.318 20 0 EGADRP [NH3+]C1(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)C2CC3CC(C2)CC1C3 ZINC000333772844 308868150 /nfs/dbraw/zinc/86/81/50/308868150.db2.gz CHTXYMWUHFJTGU-DIJCBKJDSA-N 2 0 339.483 3.203 20 0 EGADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413166325 309019185 /nfs/dbraw/zinc/01/91/85/309019185.db2.gz KFEKTOKKVBZZLD-PMACEKPBSA-N 2 0 341.499 3.029 20 0 EGADRP FC(F)Oc1ccc(Br)cc1CN[C@@H]1CCC[NH2+]CC1 ZINC000414908773 309108615 /nfs/dbraw/zinc/10/86/15/309108615.db2.gz CYRMFIPGXGHAFZ-GFCCVEGCSA-N 2 0 349.219 3.282 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)NC[C@H]2[NH2+]CCCC2(C)C)c1C ZINC000414928505 309109545 /nfs/dbraw/zinc/10/95/45/309109545.db2.gz NIYIJPHIQDDAAH-CRAIPNDOSA-N 2 0 331.504 3.388 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC[NH2+]CC1 ZINC000414941399 309110300 /nfs/dbraw/zinc/11/03/00/309110300.db2.gz ARFLIVRKOXVEAH-UHFFFAOYSA-N 2 0 332.419 3.192 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414963139 309111869 /nfs/dbraw/zinc/11/18/69/309111869.db2.gz CQUJNNAOLYCVSF-HXUWFJFHSA-N 2 0 340.515 3.478 20 0 EGADRP COc1c(Br)cccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414964166 309111891 /nfs/dbraw/zinc/11/18/91/309111891.db2.gz LWRCVRRANNXILY-ZDUSSCGKSA-N 2 0 327.266 3.080 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414972748 309112312 /nfs/dbraw/zinc/11/23/12/309112312.db2.gz MXQGXPUVUIBVMM-KRWDZBQOSA-N 2 0 335.923 3.426 20 0 EGADRP COCC1(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414976309 309112495 /nfs/dbraw/zinc/11/24/95/309112495.db2.gz PIELJGZFGNDJCF-AWEZNQCLSA-N 2 0 344.421 3.415 20 0 EGADRP c1ccc(COc2cccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c2)nc1 ZINC000414981556 309112625 /nfs/dbraw/zinc/11/26/25/309112625.db2.gz YAZOJVGAUGLXCI-GOSISDBHSA-N 2 0 325.456 3.282 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414982049 309112793 /nfs/dbraw/zinc/11/27/93/309112793.db2.gz YEZASUOQTCXKLM-TUFLPTIASA-N 3 0 327.516 3.019 20 0 EGADRP Fc1cccc(Br)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415010636 309114038 /nfs/dbraw/zinc/11/40/38/309114038.db2.gz POZWZSCFRITFAJ-XHDPSFHLSA-N 2 0 327.241 3.066 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000415007445 309113880 /nfs/dbraw/zinc/11/38/80/309113880.db2.gz RJSLEWNQKSIYQH-TZMCWYRMSA-N 2 0 345.468 3.146 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000415010038 309114078 /nfs/dbraw/zinc/11/40/78/309114078.db2.gz URXZVRVCTCBCKK-OWBSXZKWSA-N 3 0 327.516 3.289 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013726 309114454 /nfs/dbraw/zinc/11/44/54/309114454.db2.gz VMHQSVFILNNTFJ-FGTMMUONSA-N 2 0 332.488 3.003 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000415041587 309116025 /nfs/dbraw/zinc/11/60/25/309116025.db2.gz PZRCWMUGFNQKPV-XOKHGSTOSA-N 2 0 338.879 3.115 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000415053279 309116799 /nfs/dbraw/zinc/11/67/99/309116799.db2.gz MJWYEWXAYPTJLJ-MRXNPFEDSA-N 2 0 329.410 3.083 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 ZINC000415056222 309117165 /nfs/dbraw/zinc/11/71/65/309117165.db2.gz PNWIJTUFTSHUSQ-GOSISDBHSA-N 2 0 326.440 3.418 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]CCC[NH2+]C3CC3)cc2)cs1 ZINC000415065576 309117863 /nfs/dbraw/zinc/11/78/63/309117863.db2.gz GODUCIYHVINCJX-UHFFFAOYSA-N 2 0 331.485 3.262 20 0 EGADRP COc1cc(Br)c(C[NH2+][C@H](C)CCCC[NH3+])cc1OC ZINC000415065919 309117892 /nfs/dbraw/zinc/11/78/92/309117892.db2.gz SQLGGGYYJHHZPL-LLVKDONJSA-N 2 0 345.281 3.073 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415082998 309118985 /nfs/dbraw/zinc/11/89/85/309118985.db2.gz MPBRZSKKLHSYLF-DGCLKSJQSA-N 2 0 329.257 3.108 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)ccc1OCC(F)(F)F ZINC000415081960 309118999 /nfs/dbraw/zinc/11/89/99/309118999.db2.gz LAZLAFBLYIUZAB-OCCSQVGLSA-N 2 0 346.393 3.114 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000415083383 309119018 /nfs/dbraw/zinc/11/90/18/309119018.db2.gz NGFHIRSSNQEMGR-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415085022 309119124 /nfs/dbraw/zinc/11/91/24/309119124.db2.gz PYRZUNCCEVXTFT-XKGZKEIXSA-N 2 0 332.488 3.044 20 0 EGADRP COc1ccc([C@H](C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)N2CCCCC2)cc1 ZINC000415088913 309119496 /nfs/dbraw/zinc/11/94/96/309119496.db2.gz VWRDOYICVYDFMM-UEXGIBASSA-N 2 0 345.531 3.200 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000415100042 309120271 /nfs/dbraw/zinc/12/02/71/309120271.db2.gz ACAIAWDCYAJKAR-IAGOWNOFSA-N 2 0 326.843 3.197 20 0 EGADRP Cc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415124889 309122009 /nfs/dbraw/zinc/12/20/09/309122009.db2.gz CXWYLAOHBYSNLE-UHFFFAOYSA-N 2 0 329.513 3.140 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415129363 309122553 /nfs/dbraw/zinc/12/25/53/309122553.db2.gz PHCOOGAMLOFAGP-XJKSGUPXSA-N 2 0 330.451 3.045 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415131245 309122752 /nfs/dbraw/zinc/12/27/52/309122752.db2.gz YRQFLPIELMGLJI-AZUAARDMSA-N 2 0 332.488 3.194 20 0 EGADRP C[C@@H]1CCC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000415136250 309122975 /nfs/dbraw/zinc/12/29/75/309122975.db2.gz QZVRUWYXIBMQIV-HBFSDRIKSA-N 2 0 329.532 3.394 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000415137187 309123191 /nfs/dbraw/zinc/12/31/91/309123191.db2.gz XXRLZBNVTXLUEG-DLBZAZTESA-N 2 0 342.405 3.424 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000415922831 309148811 /nfs/dbraw/zinc/14/88/11/309148811.db2.gz UUPLCBNJLKKIFB-MRXNPFEDSA-N 2 0 346.519 3.428 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415923970 309148950 /nfs/dbraw/zinc/14/89/50/309148950.db2.gz XIWMHVOLVGAAEK-SFHVURJKSA-N 2 0 332.492 3.182 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415933453 309149708 /nfs/dbraw/zinc/14/97/08/309149708.db2.gz PJHQQMNFCBDAFX-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415972135 309152118 /nfs/dbraw/zinc/15/21/18/309152118.db2.gz LWQKZQCUZYTHMY-PKOBYXMFSA-N 2 0 346.519 3.428 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415985472 309152941 /nfs/dbraw/zinc/15/29/41/309152941.db2.gz SMSXSFBMDGONIX-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416153832 309161123 /nfs/dbraw/zinc/16/11/23/309161123.db2.gz GBTWHJQVPKYYPX-WDSOQIARSA-N 2 0 331.504 3.011 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3COC(C)(C)C3)CC2)cc1 ZINC000417900920 309227531 /nfs/dbraw/zinc/22/75/31/309227531.db2.gz VKRDTSKAQRVHTC-GOSISDBHSA-N 2 0 332.488 3.064 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417966313 309229977 /nfs/dbraw/zinc/22/99/77/309229977.db2.gz SRXGKKFHEWZYOQ-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOCC3CCC3)CC2)C[C@H](C)O1 ZINC000419222787 309261651 /nfs/dbraw/zinc/26/16/51/309261651.db2.gz XNVRHIWQDKDRFE-HDICACEKSA-N 2 0 338.536 3.014 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420298437 309280270 /nfs/dbraw/zinc/28/02/70/309280270.db2.gz FHJXMYBTWSGLAX-HNNXBMFYSA-N 2 0 330.451 3.080 20 0 EGADRP C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420302999 309280494 /nfs/dbraw/zinc/28/04/94/309280494.db2.gz KFEYYMPDQUROHY-MNEFBYGVSA-N 2 0 338.451 3.357 20 0 EGADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000420319253 309281827 /nfs/dbraw/zinc/28/18/27/309281827.db2.gz OZMXCGOTNZXPQJ-KBPBESRZSA-N 2 0 330.863 3.275 20 0 EGADRP CC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000420319599 309281836 /nfs/dbraw/zinc/28/18/36/309281836.db2.gz XWRVJBCWGLKOBF-MRXNPFEDSA-N 2 0 330.428 3.183 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326056 309282268 /nfs/dbraw/zinc/28/22/68/309282268.db2.gz WYYADTLXCQXWEM-HXUWFJFHSA-N 3 0 347.547 3.181 20 0 EGADRP Fc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420329793 309282521 /nfs/dbraw/zinc/28/25/21/309282521.db2.gz OZEXTNAGLONHSI-KBPBESRZSA-N 2 0 341.268 3.410 20 0 EGADRP Cc1cc(OCC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1C(C)C ZINC000420328421 309282680 /nfs/dbraw/zinc/28/26/80/309282680.db2.gz MLEVEPGJELJUSP-RTWAWAEBSA-N 2 0 346.515 3.325 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420331231 309282719 /nfs/dbraw/zinc/28/27/19/309282719.db2.gz DLPIMDPJDSWHKT-QFBILLFUSA-N 2 0 329.488 3.094 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420333285 309282855 /nfs/dbraw/zinc/28/28/55/309282855.db2.gz FHTJJGZZIHTNGL-FUHWJXTLSA-N 2 0 329.488 3.094 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333067 309282880 /nfs/dbraw/zinc/28/28/80/309282880.db2.gz DZRJPABEGAOJSZ-GUYCJALGSA-N 2 0 335.879 3.131 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C ZINC000420333174 309282921 /nfs/dbraw/zinc/28/29/21/309282921.db2.gz FDQIPVODHZDVFU-LPHOPBHVSA-N 2 0 329.488 3.094 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336091 309282970 /nfs/dbraw/zinc/28/29/70/309282970.db2.gz ILQAJRXVEWPGPZ-ARFHVFGLSA-N 2 0 349.906 3.297 20 0 EGADRP Fc1ccc(-c2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)on2)cc1 ZINC000420337666 309283030 /nfs/dbraw/zinc/28/30/30/309283030.db2.gz OIVPQFVGLIICDL-GOSISDBHSA-N 2 0 329.419 3.445 20 0 EGADRP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420346627 309283688 /nfs/dbraw/zinc/28/36/88/309283688.db2.gz WXOSWMKIYLUAPK-BETUJISGSA-N 2 0 329.271 3.304 20 0 EGADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344932 309283339 /nfs/dbraw/zinc/28/33/39/309283339.db2.gz VAZNIAFEJYRDOX-ROUUACIJSA-N 2 0 329.488 3.070 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344706 309283396 /nfs/dbraw/zinc/28/33/96/309283396.db2.gz UIUHQRYJRHUQOF-KURKYZTESA-N 2 0 343.515 3.377 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344041 309283527 /nfs/dbraw/zinc/28/35/27/309283527.db2.gz RUODCXOQDGQSIN-GBESFXJTSA-N 2 0 343.515 3.260 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420347012 309283727 /nfs/dbraw/zinc/28/37/27/309283727.db2.gz ZTMNTRXHZBAXPM-KDOFPFPSSA-N 2 0 349.906 3.439 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000420358468 309283933 /nfs/dbraw/zinc/28/39/33/309283933.db2.gz IVIUIQVYMXXNEY-CYBMUJFWSA-N 2 0 344.286 3.300 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420361947 309284189 /nfs/dbraw/zinc/28/41/89/309284189.db2.gz NUJJRBCBEIGDLM-AZUAARDMSA-N 2 0 339.483 3.314 20 0 EGADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1Br ZINC000420368638 309284470 /nfs/dbraw/zinc/28/44/70/309284470.db2.gz IBAVXGXAASIRAW-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420372135 309284712 /nfs/dbraw/zinc/28/47/12/309284712.db2.gz LDKBVKGXGXWUNR-CJNGLKHVSA-N 2 0 328.378 3.078 20 0 EGADRP C[NH2+]CCC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000420375051 309284988 /nfs/dbraw/zinc/28/49/88/309284988.db2.gz OUFIJVBLTLOKJR-UHFFFAOYSA-N 2 0 330.394 3.406 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000420389157 309285957 /nfs/dbraw/zinc/28/59/57/309285957.db2.gz XZDWTFFEIOYUSH-AQNXPRMDSA-N 2 0 332.463 3.421 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000420413098 309287156 /nfs/dbraw/zinc/28/71/56/309287156.db2.gz ZRAGIXFKUYRUTB-RHSMWYFYSA-N 2 0 335.879 3.133 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(C)nc(C)c2)CC1 ZINC000421377352 309321573 /nfs/dbraw/zinc/32/15/73/309321573.db2.gz JOGCHCBRIHKEOI-UHFFFAOYSA-N 2 0 338.499 3.130 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000421702078 309335423 /nfs/dbraw/zinc/33/54/23/309335423.db2.gz JHCYAIOSWJOFAN-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826432 309341727 /nfs/dbraw/zinc/34/17/27/309341727.db2.gz SHVZJDKXHUSIKM-IBGZPJMESA-N 2 0 339.483 3.059 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1ccc(C)cc1 ZINC000421873386 309344388 /nfs/dbraw/zinc/34/43/88/309344388.db2.gz HVIRRWFTTVWBAD-FAEJEUNOSA-N 2 0 341.503 3.408 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000421876809 309344738 /nfs/dbraw/zinc/34/47/38/309344738.db2.gz LDJRACUQQWTLEO-IVMQYODDSA-N 3 0 333.520 3.150 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422558914 309361488 /nfs/dbraw/zinc/36/14/88/309361488.db2.gz BGTCPGIGVVTXBE-LZWOXQAQSA-N 2 0 330.451 3.125 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(SC)cc1OC ZINC000422559999 309361640 /nfs/dbraw/zinc/36/16/40/309361640.db2.gz FPZNAHLMMNKINE-IPYPFGDCSA-N 2 0 338.517 3.231 20 0 EGADRP CC(C)C[C@H](CNC(=O)NC(C)(C)CC[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422605162 309362497 /nfs/dbraw/zinc/36/24/97/309362497.db2.gz PMXREDSDGYIZGG-SJLPKXTDSA-N 2 0 348.535 3.179 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422694050 309363377 /nfs/dbraw/zinc/36/33/77/309363377.db2.gz NHEDKRUZUYMERC-QFBILLFUSA-N 2 0 341.455 3.490 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422701545 309363863 /nfs/dbraw/zinc/36/38/63/309363863.db2.gz DFFITFPASIGZSJ-QFBILLFUSA-N 2 0 337.552 3.314 20 0 EGADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)OCCCO2 ZINC000422709081 309363936 /nfs/dbraw/zinc/36/39/36/309363936.db2.gz YQGFOGILMJMFNC-OKZBNKHCSA-N 2 0 330.472 3.248 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422711800 309364406 /nfs/dbraw/zinc/36/44/06/309364406.db2.gz GIKUXJYCTXRZRI-RBUKOAKNSA-N 2 0 329.488 3.148 20 0 EGADRP [NH3+][C@H]1C[C@H](NCC2([NH+]3CCSCC3)CCCCC2)c2ccccc21 ZINC000422716060 309364668 /nfs/dbraw/zinc/36/46/68/309364668.db2.gz TYMALINFPNDECT-OALUTQOASA-N 2 0 345.556 3.473 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCN(C)c1ccccc1F ZINC000422722056 309364767 /nfs/dbraw/zinc/36/47/67/309364767.db2.gz WWZNEXJMWWHXPD-AWEZNQCLSA-N 2 0 330.451 3.165 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422720529 309364928 /nfs/dbraw/zinc/36/49/28/309364928.db2.gz SPQXVRPKAABFHE-RDJZCZTQSA-N 2 0 327.428 3.139 20 0 EGADRP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422719294 309365008 /nfs/dbraw/zinc/36/50/08/309365008.db2.gz YJHBBBULCOWZFE-HKUYNNGSSA-N 2 0 346.515 3.309 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422726458 309365281 /nfs/dbraw/zinc/36/52/81/309365281.db2.gz ZZKKWJAKALKARW-CQSZACIVSA-N 2 0 325.447 3.036 20 0 EGADRP CCc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422730821 309365492 /nfs/dbraw/zinc/36/54/92/309365492.db2.gz KLWMMURLPKHDJW-BQJUDKOJSA-N 2 0 329.532 3.362 20 0 EGADRP COc1ccccc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422765680 309367141 /nfs/dbraw/zinc/36/71/41/309367141.db2.gz QOMLOXZJIDNPFK-RXVVDRJESA-N 2 0 338.451 3.083 20 0 EGADRP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000422770054 309367458 /nfs/dbraw/zinc/36/74/58/309367458.db2.gz WHHWGLPPKNFRKT-HSALFYBXSA-N 2 0 342.531 3.259 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1 ZINC000422773294 309367466 /nfs/dbraw/zinc/36/74/66/309367466.db2.gz ZSFUKNWWPYTSKG-BHIFYINESA-N 2 0 335.495 3.344 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774357 309367807 /nfs/dbraw/zinc/36/78/07/309367807.db2.gz WSEXBURWTUTDRE-QFUCXCTJSA-N 2 0 343.515 3.096 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422781131 309367917 /nfs/dbraw/zinc/36/79/17/309367917.db2.gz KKRQFWLARRXLRR-IJEWVQPXSA-N 2 0 330.451 3.359 20 0 EGADRP Cc1ccc(N2CCC([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000422778751 309367937 /nfs/dbraw/zinc/36/79/37/309367937.db2.gz HTKXVROSEBGUTR-HKUYNNGSSA-N 2 0 330.520 3.259 20 0 EGADRP COc1ccccc1O[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422786685 309368188 /nfs/dbraw/zinc/36/81/88/309368188.db2.gz LGFFSFYWPBMKAA-SOLBZPMBSA-N 2 0 328.456 3.011 20 0 EGADRP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000422792163 309368557 /nfs/dbraw/zinc/36/85/57/309368557.db2.gz QWIWNTOUCUBHTB-XUVXKRRUSA-N 2 0 342.462 3.064 20 0 EGADRP COc1ccc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422795560 309368596 /nfs/dbraw/zinc/36/85/96/309368596.db2.gz HOIWTWCPNZBCPO-PWRODBHTSA-N 2 0 340.467 3.095 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422793486 309368702 /nfs/dbraw/zinc/36/87/02/309368702.db2.gz FPIDYPXIKPEUKF-MRXNPFEDSA-N 2 0 332.488 3.377 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Oc1ccc(Br)cc1 ZINC000422798077 309369064 /nfs/dbraw/zinc/36/90/64/309369064.db2.gz PQKGIZSFOSFGEV-UHOFOFEASA-N 2 0 341.293 3.466 20 0 EGADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000422804011 309369276 /nfs/dbraw/zinc/36/92/76/309369276.db2.gz GUIDWPZEVXWWKB-GBESFXJTSA-N 2 0 338.499 3.311 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCOC1CCCC1 ZINC000422832717 309370852 /nfs/dbraw/zinc/37/08/52/309370852.db2.gz VKGKOYBDYNTBGM-UYAOXDASSA-N 2 0 330.472 3.181 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000422835761 309371185 /nfs/dbraw/zinc/37/11/85/309371185.db2.gz JAJYDQWKUSEBDB-KVJIRVJXSA-N 2 0 338.495 3.355 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000422843947 309371659 /nfs/dbraw/zinc/37/16/59/309371659.db2.gz KEKRLSQUPWBFLO-UZLBHIALSA-N 2 0 332.536 3.256 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cc2)n1 ZINC000422853489 309372061 /nfs/dbraw/zinc/37/20/61/309372061.db2.gz CBSJGMFGRHVFQR-QUCCMNQESA-N 2 0 326.488 3.139 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422854943 309372177 /nfs/dbraw/zinc/37/21/77/309372177.db2.gz USUPMYDMBQTCMJ-SJORKVTESA-N 2 0 332.488 3.091 20 0 EGADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422860128 309372357 /nfs/dbraw/zinc/37/23/57/309372357.db2.gz LOXWIUXRBSSTRA-PWRODBHTSA-N 2 0 338.499 3.315 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000422873121 309373019 /nfs/dbraw/zinc/37/30/19/309373019.db2.gz KBMZPXXASMNTHJ-MPGHIAIKSA-N 2 0 327.472 3.054 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000422872994 309373036 /nfs/dbraw/zinc/37/30/36/309373036.db2.gz JKVCOJQBXBPLIK-KNBMTAEXSA-N 2 0 338.499 3.162 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000422873123 309373101 /nfs/dbraw/zinc/37/31/01/309373101.db2.gz KBMZPXXASMNTHJ-RVKKMQEKSA-N 2 0 327.472 3.054 20 0 EGADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1c(Cl)cccc1Cl ZINC000422875154 309373190 /nfs/dbraw/zinc/37/31/90/309373190.db2.gz CBPTXTSHUFGOJK-RTWAVKEYSA-N 2 0 331.287 3.439 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422876341 309373356 /nfs/dbraw/zinc/37/33/56/309373356.db2.gz GEZWITXVVGYZJU-ORYQWCPZSA-N 2 0 340.467 3.108 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422878561 309373459 /nfs/dbraw/zinc/37/34/59/309373459.db2.gz KGXPSIHXQFLTOI-OAHLLOKOSA-N 2 0 339.487 3.085 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1OC(F)F ZINC000422876439 309373507 /nfs/dbraw/zinc/37/35/07/309373507.db2.gz FUKOUACKTWSCBQ-KBPBESRZSA-N 2 0 328.403 3.089 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000422895395 309374852 /nfs/dbraw/zinc/37/48/52/309374852.db2.gz VWDSSMOHXLVQMZ-HCXYKTFWSA-N 3 0 329.532 3.252 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c2ccccc21 ZINC000422895741 309374885 /nfs/dbraw/zinc/37/48/85/309374885.db2.gz GMHUAKPHYQQJGA-JSNMRZPZSA-N 2 0 325.431 3.386 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422905733 309375578 /nfs/dbraw/zinc/37/55/78/309375578.db2.gz SOPLXQQCTAVYHQ-ZDUSSCGKSA-N 2 0 339.418 3.024 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422908461 309375681 /nfs/dbraw/zinc/37/56/81/309375681.db2.gz MPPXXXCCGHFVRW-RTBURBONSA-N 3 0 331.548 3.437 20 0 EGADRP COc1ccc(COCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422913998 309375917 /nfs/dbraw/zinc/37/59/17/309375917.db2.gz ZPQJBTVNRVUMTM-PMACEKPBSA-N 2 0 326.440 3.336 20 0 EGADRP COc1cccc(OCCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422920146 309376266 /nfs/dbraw/zinc/37/62/66/309376266.db2.gz LRGIGIYKGHBXQL-OXQOHEQNSA-N 2 0 328.456 3.012 20 0 EGADRP COc1cccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422921144 309376329 /nfs/dbraw/zinc/37/63/29/309376329.db2.gz NKWDEQNPEHFEPI-SLFFLAALSA-N 2 0 332.488 3.365 20 0 EGADRP [NH3+]CC1CCC([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000422958075 309378307 /nfs/dbraw/zinc/37/83/07/309378307.db2.gz OLLXIFPDHAVRHA-UHFFFAOYSA-N 2 0 334.851 3.040 20 0 EGADRP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422974250 309379207 /nfs/dbraw/zinc/37/92/07/309379207.db2.gz QQCSBQOKCXRFKT-GUDVDZBRSA-N 2 0 329.488 3.413 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc2c(c1)COC2 ZINC000422994550 309380034 /nfs/dbraw/zinc/38/00/34/309380034.db2.gz VPZFGWCUHGBTFD-PZJWPPBQSA-N 2 0 336.435 3.062 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2c(C)cc(C)cc2C)CC[NH2+]CC1 ZINC000423006567 309380663 /nfs/dbraw/zinc/38/06/63/309380663.db2.gz VWBQRRNSNLBSMJ-GOSISDBHSA-N 2 0 346.515 3.065 20 0 EGADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022488 309381577 /nfs/dbraw/zinc/38/15/77/309381577.db2.gz HTBKJNOQPHJDDH-ZUXXIDCJSA-N 2 0 339.886 3.202 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000423026692 309381837 /nfs/dbraw/zinc/38/18/37/309381837.db2.gz BYDJPAVWHKHTBM-ZDUSSCGKSA-N 2 0 343.309 3.497 20 0 EGADRP CC[C@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423043851 309382520 /nfs/dbraw/zinc/38/25/20/309382520.db2.gz ADDRQSIRQSVRHR-YESZJQIVSA-N 2 0 343.437 3.428 20 0 EGADRP C[C@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000423046185 309382781 /nfs/dbraw/zinc/38/27/81/309382781.db2.gz FBRBITHZEMCEFE-JQFCIGGWSA-N 2 0 343.437 3.428 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423055503 309383342 /nfs/dbraw/zinc/38/33/42/309383342.db2.gz WOBOMAZYMAYVBS-ABAIWWIYSA-N 2 0 336.277 3.408 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056569 309383566 /nfs/dbraw/zinc/38/35/66/309383566.db2.gz YMROWHIUHZLMMA-COXVUDFISA-N 2 0 343.437 3.286 20 0 EGADRP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423064796 309383930 /nfs/dbraw/zinc/38/39/30/309383930.db2.gz ZUGGMIRYXJNEFR-JRSUCEMESA-N 2 0 328.500 3.145 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000423068260 309384281 /nfs/dbraw/zinc/38/42/81/309384281.db2.gz BIKJAJSIVDSRJW-XPIZARPCSA-N 2 0 341.499 3.129 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090804 309385356 /nfs/dbraw/zinc/38/53/56/309385356.db2.gz WFROTACUFLIBBD-HIFRSBDPSA-N 2 0 340.309 3.135 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093257 309385530 /nfs/dbraw/zinc/38/55/30/309385530.db2.gz GUNASGAFVNVGRP-GDBMZVCRSA-N 2 0 330.394 3.277 20 0 EGADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092469 309385534 /nfs/dbraw/zinc/38/55/34/309385534.db2.gz BZJJLVNVPXTGMR-FXRFXEHHSA-N 2 0 332.463 3.209 20 0 EGADRP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423109877 309386482 /nfs/dbraw/zinc/38/64/82/309386482.db2.gz TWQPVRGTTMNXDK-KZNAEPCWSA-N 2 0 347.890 3.041 20 0 EGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423129413 309387469 /nfs/dbraw/zinc/38/74/69/309387469.db2.gz LWHZXIXLWOYQMQ-RNIPGJKVSA-N 2 0 331.479 3.305 20 0 EGADRP C[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423142734 309388085 /nfs/dbraw/zinc/38/80/85/309388085.db2.gz VRLYTEUUSZSCPS-HLAWJBBLSA-N 2 0 329.532 3.409 20 0 EGADRP c1cncc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CCO2)c1 ZINC000423154349 309388474 /nfs/dbraw/zinc/38/84/74/309388474.db2.gz OSPNVCAELCMRDC-WAPOTWQKSA-N 2 0 329.488 3.202 20 0 EGADRP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423162569 309388900 /nfs/dbraw/zinc/38/89/00/309388900.db2.gz UCAGYUJURLKHGC-VIYGXFRKSA-N 2 0 328.500 3.317 20 0 EGADRP Brc1ccc2c(c1)[C@@H](N[C@H]1CCC[NH2+]C1)CCS2 ZINC000423184802 309389577 /nfs/dbraw/zinc/38/95/77/309389577.db2.gz IRQNHKCNOCGKAL-AAEUAGOBSA-N 2 0 327.291 3.328 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cc1 ZINC000423199469 309390095 /nfs/dbraw/zinc/39/00/95/309390095.db2.gz BPVCUVUOURQPMD-QGZVFWFLSA-N 2 0 325.456 3.035 20 0 EGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2F)s1 ZINC000423211510 309390523 /nfs/dbraw/zinc/39/05/23/309390523.db2.gz YMIBYZMBFPUPTB-AWEZNQCLSA-N 2 0 333.476 3.110 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423212352 309390695 /nfs/dbraw/zinc/39/06/95/309390695.db2.gz IGHCEOFKWVQRCZ-BZPMIXESSA-N 2 0 343.284 3.497 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423212951 309390738 /nfs/dbraw/zinc/39/07/38/309390738.db2.gz JHVYXJDHGQUXKU-YQQAZPJKSA-N 2 0 332.492 3.255 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC([NH3+])CC1 ZINC000423228837 309391326 /nfs/dbraw/zinc/39/13/26/309391326.db2.gz FKTPXXFJIYCKFL-FNBIGBAISA-N 2 0 329.257 3.379 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254407 309392553 /nfs/dbraw/zinc/39/25/53/309392553.db2.gz XYXBNIHSRZJVOO-RYUDHWBXSA-N 2 0 329.257 3.108 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423259785 309392762 /nfs/dbraw/zinc/39/27/62/309392762.db2.gz OWACNNAYNKEDJJ-QWHCGFSZSA-N 2 0 341.293 3.498 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cnn1-c1ccc(F)cc1 ZINC000423265012 309392908 /nfs/dbraw/zinc/39/29/08/309392908.db2.gz AOOWUIGYQBOSHI-ZUEVXXBESA-N 2 0 330.451 3.488 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423266587 309393121 /nfs/dbraw/zinc/39/31/21/309393121.db2.gz DJWNQMTYJUDMQK-LZQZEXGQSA-N 2 0 330.472 3.148 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423268259 309393192 /nfs/dbraw/zinc/39/31/92/309393192.db2.gz FSFZLBFEMYIDKC-YQQAZPJKSA-N 2 0 338.467 3.280 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423324115 309395180 /nfs/dbraw/zinc/39/51/80/309395180.db2.gz IITJMFPEHHKHSW-HNAYVOBHSA-N 2 0 332.492 3.257 20 0 EGADRP COc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423328352 309395296 /nfs/dbraw/zinc/39/52/96/309395296.db2.gz APZFEMZSHIPRSE-HXUWFJFHSA-N 2 0 326.415 3.433 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423335859 309395724 /nfs/dbraw/zinc/39/57/24/309395724.db2.gz SFLOAFDVVKLDTA-JXFKEZNVSA-N 2 0 342.487 3.039 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423387608 309398135 /nfs/dbraw/zinc/39/81/35/309398135.db2.gz SOXZBLJLSBZNRM-LELZANKISA-N 2 0 327.516 3.017 20 0 EGADRP CC(C)CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccoc1 ZINC000423387597 309398251 /nfs/dbraw/zinc/39/82/51/309398251.db2.gz MFJHXNXTBLIINB-HZPDHXFCSA-N 2 0 347.425 3.183 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(C)c1OC ZINC000423406151 309398980 /nfs/dbraw/zinc/39/89/80/309398980.db2.gz YRFBZCFIGWCXKL-AWEZNQCLSA-N 2 0 326.440 3.466 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465770 309401315 /nfs/dbraw/zinc/40/13/15/309401315.db2.gz HVIHQIJEYATIFZ-DFQSSKMNSA-N 2 0 344.478 3.030 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423471572 309401419 /nfs/dbraw/zinc/40/14/19/309401419.db2.gz MNBZYOYBOGFBCR-RRFJBIMHSA-N 2 0 334.460 3.249 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000423753018 309411609 /nfs/dbraw/zinc/41/16/09/309411609.db2.gz BGJKMOOXHDBPGW-IEBWSBKVSA-N 2 0 343.515 3.289 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423766819 309411966 /nfs/dbraw/zinc/41/19/66/309411966.db2.gz CVTVRCXQTBJJND-GHTZIAJQSA-N 2 0 341.499 3.043 20 0 EGADRP C[C@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C(C)(C)C[NH+](C)C ZINC000424142466 309430662 /nfs/dbraw/zinc/43/06/62/309430662.db2.gz IGOGJRYZCVDWAD-DOTOQJQBSA-N 2 0 325.541 3.157 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424289601 309436720 /nfs/dbraw/zinc/43/67/20/309436720.db2.gz MBYSDMDVPDLDKN-SFHVURJKSA-N 2 0 328.435 3.414 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000424411742 309442519 /nfs/dbraw/zinc/44/25/19/309442519.db2.gz BNWXCMXDNGBCAF-RTBURBONSA-N 2 0 344.503 3.106 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)CC(C)C ZINC000424444314 309444166 /nfs/dbraw/zinc/44/41/66/309444166.db2.gz MEUCPHYEYONPJX-GOSISDBHSA-N 2 0 334.508 3.332 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(C[NH3+])CC1 ZINC000430603522 309612815 /nfs/dbraw/zinc/61/28/15/309612815.db2.gz NVUUVTMQTQTQCD-JKSUJKDBSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000430840503 309619174 /nfs/dbraw/zinc/61/91/74/309619174.db2.gz XRQKPGWQLYNNSP-AEFFLSMTSA-N 2 0 331.504 3.093 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2CC2CCCCC2)CC1 ZINC000433133229 309679600 /nfs/dbraw/zinc/67/96/00/309679600.db2.gz NTUHKTZMZXLJDH-IBGZPJMESA-N 2 0 335.536 3.151 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000435726785 309738950 /nfs/dbraw/zinc/73/89/50/309738950.db2.gz SBIAYALFMOTQJD-KRWDZBQOSA-N 2 0 326.444 3.190 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000438991172 309824106 /nfs/dbraw/zinc/82/41/06/309824106.db2.gz BMIIGEQBPCBXPR-AWEZNQCLSA-N 2 0 333.476 3.036 20 0 EGADRP C[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000449011181 310028853 /nfs/dbraw/zinc/02/88/53/310028853.db2.gz OWQWUWZCJGNFIW-OAHLLOKOSA-N 2 0 338.442 3.113 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000449081040 310035442 /nfs/dbraw/zinc/03/54/42/310035442.db2.gz BGBXHOLQNQLBKO-IBGZPJMESA-N 2 0 330.520 3.282 20 0 EGADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000449080846 310035471 /nfs/dbraw/zinc/03/54/71/310035471.db2.gz ZQWNXNBHCCTJPH-INIZCTEOSA-N 2 0 341.503 3.271 20 0 EGADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc2ccccc21 ZINC000449150686 310040691 /nfs/dbraw/zinc/04/06/91/310040691.db2.gz SKSSPQONPMMIQL-LJQANCHMSA-N 2 0 342.483 3.175 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc(F)cc2)n1 ZINC000449178189 310042483 /nfs/dbraw/zinc/04/24/83/310042483.db2.gz WWFKDIPOAVTMON-QZTJIDSGSA-N 2 0 330.451 3.189 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000449226028 310045995 /nfs/dbraw/zinc/04/59/95/310045995.db2.gz QABFQSIWXGPUTD-HXUWFJFHSA-N 2 0 343.515 3.181 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449247226 310047355 /nfs/dbraw/zinc/04/73/55/310047355.db2.gz FKXLJQACDAQOEI-UHFFFAOYSA-N 2 0 327.497 3.280 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449292234 310050776 /nfs/dbraw/zinc/05/07/76/310050776.db2.gz PMKROOUFGLMKHN-IMFGXOCKSA-N 2 0 344.499 3.013 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc2ccoc21 ZINC000449330948 310054176 /nfs/dbraw/zinc/05/41/76/310054176.db2.gz WHGWHUUZEBDORX-UHFFFAOYSA-N 2 0 339.439 3.448 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000449366190 310056813 /nfs/dbraw/zinc/05/68/13/310056813.db2.gz XYPQZUIRZRFYCD-TYCQWZJGSA-N 2 0 348.506 3.362 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1)C(C)C ZINC000449704858 310081638 /nfs/dbraw/zinc/08/16/38/310081638.db2.gz IRCPDQPPFCBCCZ-GOSISDBHSA-N 2 0 331.504 3.035 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000449778668 310086488 /nfs/dbraw/zinc/08/64/88/310086488.db2.gz SINPMFMPSGPVSN-LJQANCHMSA-N 2 0 345.531 3.077 20 0 EGADRP Nc1ncccc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450655018 310135376 /nfs/dbraw/zinc/13/53/76/310135376.db2.gz XXELANJILWKLOC-UHFFFAOYSA-N 2 0 336.483 3.152 20 0 EGADRP CC(C)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453119217 310259168 /nfs/dbraw/zinc/25/91/68/310259168.db2.gz MBINUWVITYWPCC-AQNXPRMDSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOC1 ZINC000453134345 310260061 /nfs/dbraw/zinc/26/00/61/310260061.db2.gz ZMYCFXAYRNAUAY-MXEMCNAFSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000453171983 310262232 /nfs/dbraw/zinc/26/22/32/310262232.db2.gz YCUFHBKTYKDXFV-DUXKGJEZSA-N 2 0 345.531 3.150 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453175782 310262430 /nfs/dbraw/zinc/26/24/30/310262430.db2.gz LSENVFOKCOUVBQ-MOPGFXCFSA-N 2 0 334.891 3.282 20 0 EGADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453184279 310262905 /nfs/dbraw/zinc/26/29/05/310262905.db2.gz UOFSWDDUMRKRCU-KCLUMXDGSA-N 2 0 330.516 3.428 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453213699 310264467 /nfs/dbraw/zinc/26/44/67/310264467.db2.gz ATWMHXGZTQAXMM-XRXFAXGQSA-N 2 0 328.500 3.444 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455836880 310378853 /nfs/dbraw/zinc/37/88/53/310378853.db2.gz BDTRUPCVLUYGQY-BEFAXECRSA-N 2 0 346.519 3.477 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455836882 310378901 /nfs/dbraw/zinc/37/89/01/310378901.db2.gz BDTRUPCVLUYGQY-DNVCBOLYSA-N 2 0 346.519 3.477 20 0 EGADRP CC(C)C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455900437 310381723 /nfs/dbraw/zinc/38/17/23/310381723.db2.gz FXRDZKBNYQSCEP-IBGZPJMESA-N 2 0 344.503 3.041 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455902902 310381747 /nfs/dbraw/zinc/38/17/47/310381747.db2.gz GNXRIKFSINNLIH-GOSISDBHSA-N 2 0 332.492 3.089 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000456205713 310393373 /nfs/dbraw/zinc/39/33/73/310393373.db2.gz QCLPDHRTHHHXGE-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000456345858 310399942 /nfs/dbraw/zinc/39/99/42/310399942.db2.gz IFIAIIAWFICGML-HXUWFJFHSA-N 2 0 345.531 3.473 20 0 EGADRP c1cn(-c2cccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2)cn1 ZINC000459352258 310546259 /nfs/dbraw/zinc/54/62/59/310546259.db2.gz DSTPGAZYIZKGCT-UHFFFAOYSA-N 2 0 333.439 3.026 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462788817 310605769 /nfs/dbraw/zinc/60/57/69/310605769.db2.gz CWFUMVZFDJQLHW-UHFFFAOYSA-N 2 0 332.488 3.416 20 0 EGADRP CC(C)[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000488595589 311072724 /nfs/dbraw/zinc/07/27/24/311072724.db2.gz XSWFUFXIVRMUNA-FQEVSTJZSA-N 2 0 331.548 3.417 20 0 EGADRP CC1CC[NH+](CCN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000489886362 311123843 /nfs/dbraw/zinc/12/38/43/311123843.db2.gz MILUIJUACAVZBJ-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP C[NH+](C)C/C=C\C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000493090442 311326147 /nfs/dbraw/zinc/32/61/47/311326147.db2.gz FNMUEEJOZWILSM-SREVYHEPSA-N 2 0 347.528 3.321 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cncc(F)c3)cc2)C[C@H](C)O1 ZINC000494556468 311489243 /nfs/dbraw/zinc/48/92/43/311489243.db2.gz FCOSIELTXDHJCU-HOTGVXAUSA-N 2 0 343.446 3.120 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495347507 311554021 /nfs/dbraw/zinc/55/40/21/311554021.db2.gz KZEJAXWBDANXGD-UHFFFAOYSA-N 2 0 327.513 3.001 20 0 EGADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000495542408 311576015 /nfs/dbraw/zinc/57/60/15/311576015.db2.gz RFCVTSVUWUYCCZ-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000496080800 311658287 /nfs/dbraw/zinc/65/82/87/311658287.db2.gz BEXJNRNPXUKEGW-UHFFFAOYSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000504575688 312008076 /nfs/dbraw/zinc/00/80/76/312008076.db2.gz QJEDFCYXBQVIAK-SJORKVTESA-N 2 0 336.907 3.488 20 0 EGADRP CC[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714054 312100590 /nfs/dbraw/zinc/10/05/90/312100590.db2.gz GUXVYZBBZBOGMO-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1cccc([C@@H]([NH2+]CCOCC[NH+](C)C)c2cccc(F)c2)c1 ZINC000510943461 312151467 /nfs/dbraw/zinc/15/14/67/312151467.db2.gz JVBKDYVRKCXPQQ-HXUWFJFHSA-N 2 0 330.447 3.391 20 0 EGADRP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000510963358 312151777 /nfs/dbraw/zinc/15/17/77/312151777.db2.gz ADQFDJKFRGYJGZ-MYGLTJDJSA-N 2 0 342.527 3.428 20 0 EGADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000511633761 312165056 /nfs/dbraw/zinc/16/50/56/312165056.db2.gz HXZNDNHUFDVNKH-MRXNPFEDSA-N 2 0 349.494 3.198 20 0 EGADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648718 312191056 /nfs/dbraw/zinc/19/10/56/312191056.db2.gz OTPMQOVUVNERCF-CLAROIROSA-N 2 0 341.543 3.361 20 0 EGADRP C[N@H+](CCN1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000513448588 312210676 /nfs/dbraw/zinc/21/06/76/312210676.db2.gz UMAHMVWSYWLFSW-UHFFFAOYSA-N 2 0 329.532 3.316 20 0 EGADRP CCn1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000513500617 312212077 /nfs/dbraw/zinc/21/20/77/312212077.db2.gz NMYCHKXQALOCFO-MJGOQNOKSA-N 2 0 326.488 3.293 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000515056079 312262972 /nfs/dbraw/zinc/26/29/72/312262972.db2.gz KTTUIPCJHICUAT-CVEARBPZSA-N 2 0 337.533 3.025 20 0 EGADRP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@H]([NH3+])c4ccccc43)cn2)C[C@H](C)O1 ZINC000515346324 312277660 /nfs/dbraw/zinc/27/76/60/312277660.db2.gz GVWBHRHQRRXZIR-QABNGEJJSA-N 2 0 338.455 3.252 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000517133748 312364812 /nfs/dbraw/zinc/36/48/12/312364812.db2.gz HEEZQANHKRDEQB-MOPGFXCFSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000536849619 314150110 /nfs/dbraw/zinc/15/01/10/314150110.db2.gz CRFBPOVLBBBDHV-MSPZUWAUSA-N 2 0 346.490 3.417 20 0 EGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992136 314222491 /nfs/dbraw/zinc/22/24/91/314222491.db2.gz YESFPQDGYHHCIZ-RISCZKNCSA-N 2 0 329.271 3.445 20 0 EGADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539075856 314294537 /nfs/dbraw/zinc/29/45/37/314294537.db2.gz NCFDGHWZRUVUPQ-PMACEKPBSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000539546234 314319984 /nfs/dbraw/zinc/31/99/84/314319984.db2.gz LLXRPNXNJMMFPU-JXFKEZNVSA-N 2 0 329.488 3.355 20 0 EGADRP C[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540120324 314363398 /nfs/dbraw/zinc/36/33/98/314363398.db2.gz GUIOUXPEWHVAQP-INIZCTEOSA-N 2 0 346.446 3.496 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCCC2 ZINC000540597696 314391248 /nfs/dbraw/zinc/39/12/48/314391248.db2.gz SSLSVTCPGGMFNS-PMACEKPBSA-N 2 0 346.515 3.454 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000540606223 314392380 /nfs/dbraw/zinc/39/23/80/314392380.db2.gz HPSQJAAOWDXXGA-AWEZNQCLSA-N 2 0 335.879 3.217 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccccc1 ZINC000544371030 314690347 /nfs/dbraw/zinc/69/03/47/314690347.db2.gz HUEYIRVLAKQDRE-SJLPKXTDSA-N 2 0 333.520 3.352 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000544579598 314704559 /nfs/dbraw/zinc/70/45/59/314704559.db2.gz UXBFSQGHPLLXCC-IBGZPJMESA-N 2 0 335.923 3.333 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CCCC3)C2)C1 ZINC000549754878 315103595 /nfs/dbraw/zinc/10/35/95/315103595.db2.gz SKWQZFHFXCEHGW-KSZLIROESA-N 2 0 336.520 3.495 20 0 EGADRP COc1cc2c(cc1C[NH2+]CCCCC[NH+]1CCCC1)O[C@H](C)C2 ZINC000550265390 315122391 /nfs/dbraw/zinc/12/23/91/315122391.db2.gz GOWIMMKAZNILEW-MRXNPFEDSA-N 2 0 332.488 3.374 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000550680188 315132400 /nfs/dbraw/zinc/13/24/00/315132400.db2.gz IUGISHBQAKNLRS-GOSISDBHSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000550832326 315136185 /nfs/dbraw/zinc/13/61/85/315136185.db2.gz FRCUJSIUNGPRQJ-JENIJYKNSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000551090834 315141859 /nfs/dbraw/zinc/14/18/59/315141859.db2.gz WNAMSGUELMVWOH-OAQYLSRUSA-N 2 0 329.532 3.376 20 0 EGADRP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+]1CC(C)C1 ZINC000553327891 315258022 /nfs/dbraw/zinc/25/80/22/315258022.db2.gz VIVVYTGPDYYLQS-ZWKOTPCHSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554346932 315311483 /nfs/dbraw/zinc/31/14/83/315311483.db2.gz KMRRGSZMHVBXTF-FZKCQIBNSA-N 2 0 336.442 3.444 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000555369049 315381585 /nfs/dbraw/zinc/38/15/85/315381585.db2.gz YLPKQVPAOZHGPN-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C1 ZINC000563797435 316070827 /nfs/dbraw/zinc/07/08/27/316070827.db2.gz FQZYARHTWIBAPX-APWZRJJASA-N 2 0 343.446 3.092 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000564070208 316108534 /nfs/dbraw/zinc/10/85/34/316108534.db2.gz PXIMPWUNAQFMQT-BVOGOJNSSA-N 2 0 329.532 3.215 20 0 EGADRP COc1ccc([C@H](CNc2cc[nH+]cc2C)[NH+]2CCCCC2)cc1 ZINC000564240358 316127410 /nfs/dbraw/zinc/12/74/10/316127410.db2.gz YFKFOLJTMNLTAS-FQEVSTJZSA-N 2 0 325.456 3.460 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000564444863 316153010 /nfs/dbraw/zinc/15/30/10/316153010.db2.gz UNXGCZMLJKRKFP-XHSDSOJGSA-N 2 0 344.421 3.071 20 0 EGADRP c1nn([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c2ccccc12 ZINC000565095826 316264572 /nfs/dbraw/zinc/26/45/72/316264572.db2.gz UBZRZLILVHMQLU-HXUWFJFHSA-N 2 0 332.451 3.129 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000565313089 316308097 /nfs/dbraw/zinc/30/80/97/316308097.db2.gz ZQHOAFDNVZKTLA-AEFFLSMTSA-N 2 0 337.467 3.494 20 0 EGADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000565313098 316308201 /nfs/dbraw/zinc/30/82/01/316308201.db2.gz ZQHOAFDNVZKTLA-WMZOPIPTSA-N 2 0 337.467 3.494 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000565707997 316359939 /nfs/dbraw/zinc/35/99/39/316359939.db2.gz JGHOLQNEMZUBNJ-GOSISDBHSA-N 2 0 340.467 3.033 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000566852697 316535633 /nfs/dbraw/zinc/53/56/33/316535633.db2.gz MVBADJHTYOZYDA-FUHWJXTLSA-N 2 0 347.528 3.082 20 0 EGADRP Cc1sc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])nc1-c1ccccc1 ZINC000567159519 316576618 /nfs/dbraw/zinc/57/66/18/316576618.db2.gz SEACNOVDZZKPJP-KBRIMQKVSA-N 2 0 345.512 3.003 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000567894660 316690470 /nfs/dbraw/zinc/69/04/70/316690470.db2.gz MTQZXDNRDAXOPZ-OAHLLOKOSA-N 2 0 344.455 3.030 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000570440448 317055914 /nfs/dbraw/zinc/05/59/14/317055914.db2.gz QGIGMAAXOGPEBC-NSHDSACASA-N 2 0 329.257 3.108 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(CC[NH3+])CC1 ZINC000570521723 317068601 /nfs/dbraw/zinc/06/86/01/317068601.db2.gz YNGKQIWTIWPMIK-OAHLLOKOSA-N 2 0 325.456 3.228 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCC2 ZINC000570785418 317107389 /nfs/dbraw/zinc/10/73/89/317107389.db2.gz VBCXPWKBURXWJH-HNNXBMFYSA-N 2 0 348.487 3.464 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000570832284 317114914 /nfs/dbraw/zinc/11/49/14/317114914.db2.gz DITKDWLQFJVPAU-VNCLNFNDSA-N 2 0 325.456 3.247 20 0 EGADRP CC[NH+]1C[C@@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000570864443 317118721 /nfs/dbraw/zinc/11/87/21/317118721.db2.gz WGGZRIQHQAVRRR-QZTJIDSGSA-N 2 0 343.515 3.227 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000571175380 317162182 /nfs/dbraw/zinc/16/21/82/317162182.db2.gz GKANBNUHKADKDO-ZACQAIPSSA-N 2 0 344.421 3.244 20 0 EGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC000574678568 317624951 /nfs/dbraw/zinc/62/49/51/317624951.db2.gz UWVITCGSAWXNCA-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP Fc1ccc(Br)c(F)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230309925 456135266 /nfs/dbraw/zinc/13/52/66/456135266.db2.gz AVTGATRPRLDBCG-WDEREUQCSA-N 2 0 345.231 3.444 20 0 EGADRP CC[C@H](C)C[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000171948319 323263636 /nfs/dbraw/zinc/26/36/36/323263636.db2.gz IQIGTKOFWIAVKW-KRWDZBQOSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000350609764 324106990 /nfs/dbraw/zinc/10/69/90/324106990.db2.gz WUMSZBZXFSQKKJ-GASCZTMLSA-N 2 0 344.459 3.050 20 0 EGADRP Cc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000417948342 324302741 /nfs/dbraw/zinc/30/27/41/324302741.db2.gz HOTVJNUYWCCDRD-MJGOQNOKSA-N 2 0 326.488 3.119 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000577584702 324830497 /nfs/dbraw/zinc/83/04/97/324830497.db2.gz UCWGGOAFZOCZRD-NAIAOIPJSA-N 2 0 346.515 3.341 20 0 EGADRP CC(C)CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C ZINC000578672477 325002609 /nfs/dbraw/zinc/00/26/09/325002609.db2.gz HLLKYXDXTSVJNN-IRXDYDNUSA-N 2 0 325.541 3.014 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ncc(-c3ccc(F)cc3)o1)CC[NH2+]CC2 ZINC000579462453 325113478 /nfs/dbraw/zinc/11/34/78/325113478.db2.gz YXGZFKZAVIHVCW-AWEZNQCLSA-N 2 0 329.419 3.445 20 0 EGADRP CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000579746927 325154080 /nfs/dbraw/zinc/15/40/80/325154080.db2.gz XGQJWDGRFMRASV-FQEVSTJZSA-N 2 0 345.531 3.231 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000579841796 325166910 /nfs/dbraw/zinc/16/69/10/325166910.db2.gz OXWFZRWBUOOUBN-QFIPXVFZSA-N 2 0 337.511 3.327 20 0 EGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCCCC[NH2+]1 ZINC000580314693 325233597 /nfs/dbraw/zinc/23/35/97/325233597.db2.gz DNZPPVXXOJZBHD-HXUWFJFHSA-N 2 0 343.515 3.211 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2COc3c(C)cccc3C2)[C@@H](C)C1 ZINC000580606423 325272339 /nfs/dbraw/zinc/27/23/39/325272339.db2.gz ZWNPRCOKKSJFTI-SXLOBPIMSA-N 2 0 346.515 3.025 20 0 EGADRP FC(F)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580895688 325306765 /nfs/dbraw/zinc/30/67/65/325306765.db2.gz MLQPIAMBHYXUMJ-ZIAGYGMSSA-N 2 0 334.414 3.253 20 0 EGADRP COc1ncccc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000581637439 325377807 /nfs/dbraw/zinc/37/78/07/325377807.db2.gz WWRVIKGNWUJITD-LPHOPBHVSA-N 2 0 331.504 3.265 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000583071925 325492423 /nfs/dbraw/zinc/49/24/23/325492423.db2.gz FTLUCBNDDOIRKC-JMSVASOKSA-N 2 0 343.393 3.140 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000583731560 325546677 /nfs/dbraw/zinc/54/66/77/325546677.db2.gz FZZRLRNMULBCHP-UHFFFAOYSA-N 2 0 335.467 3.362 20 0 EGADRP CC[C@H](C)[C@H](C)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000183084869 455225217 /nfs/dbraw/zinc/22/52/17/455225217.db2.gz HXOPMBMJCCTCHD-WMZOPIPTSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[N@@H+]1C ZINC000180677101 455225778 /nfs/dbraw/zinc/22/57/78/455225778.db2.gz VHWDESUEYUTBFL-HZPDHXFCSA-N 2 0 336.907 3.461 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000423477914 458438012 /nfs/dbraw/zinc/43/80/12/458438012.db2.gz SPNGEDSLQFYFRG-YUELXQCFSA-N 2 0 337.305 3.414 20 0 EGADRP OCCCCCC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000183156874 455241123 /nfs/dbraw/zinc/24/11/23/455241123.db2.gz YIPJPIDFGNKIBG-HBMCJLEFSA-N 2 0 330.516 3.429 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2sc(C)nc2C)[C@H](C)C1 ZINC000157931772 455250680 /nfs/dbraw/zinc/25/06/80/455250680.db2.gz BCHDKKBFWXNJCE-RHSMWYFYSA-N 2 0 339.549 3.029 20 0 EGADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158468866 455305373 /nfs/dbraw/zinc/30/53/73/455305373.db2.gz NWLDVEUJRRSYCT-MOPGFXCFSA-N 2 0 330.520 3.138 20 0 EGADRP COc1cccc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000631826831 460574592 /nfs/dbraw/zinc/57/45/92/460574592.db2.gz XWEKDFTVEFAZIE-QGZVFWFLSA-N 2 0 341.455 3.172 20 0 EGADRP CCN1CCC([N@H+](C)CCCc2nc(-c3ccccc3)no2)CC1 ZINC000158879077 455334947 /nfs/dbraw/zinc/33/49/47/455334947.db2.gz BMQSLIZZLGSCRW-UHFFFAOYSA-N 2 0 328.460 3.085 20 0 EGADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631841481 460579714 /nfs/dbraw/zinc/57/97/14/460579714.db2.gz LAGZGEGHWBKULP-SJLPKXTDSA-N 2 0 337.467 3.209 20 0 EGADRP COc1ccc(Br)c(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891437 460590307 /nfs/dbraw/zinc/59/03/07/460590307.db2.gz ZXKFYOCXNYVOJS-LRDDRELGSA-N 2 0 339.277 3.032 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCSCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000600778198 460599917 /nfs/dbraw/zinc/59/99/17/460599917.db2.gz WRLBVNRJGXODSE-CABCVRRESA-N 2 0 332.435 3.379 20 0 EGADRP COc1cc(N[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc(OC)c1 ZINC000245733630 455367774 /nfs/dbraw/zinc/36/77/74/455367774.db2.gz WJDQJWDJBUVHCO-SJLPKXTDSA-N 2 0 347.503 3.064 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081631214 453898263 /nfs/dbraw/zinc/89/82/63/453898263.db2.gz GBFZBOBPPFJWDH-INIZCTEOSA-N 2 0 349.906 3.332 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000067483147 453934862 /nfs/dbraw/zinc/93/48/62/453934862.db2.gz ZPEQTRTVMCAHDQ-FQEVSTJZSA-N 2 0 345.531 3.260 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000076000989 453948004 /nfs/dbraw/zinc/94/80/04/453948004.db2.gz WHZIBEMEMLZOID-OAHLLOKOSA-N 2 0 337.895 3.332 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000076130253 453968833 /nfs/dbraw/zinc/96/88/33/453968833.db2.gz MSRXCGOGXYKXGL-IBGZPJMESA-N 2 0 340.471 3.173 20 0 EGADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056524164 454064506 /nfs/dbraw/zinc/06/45/06/454064506.db2.gz RCFMSLCYMXOPRB-MRXNPFEDSA-N 2 0 331.504 3.240 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1O ZINC000057973818 454158271 /nfs/dbraw/zinc/15/82/71/454158271.db2.gz DDBPVEDLBLELMD-UHFFFAOYSA-N 2 0 346.496 3.464 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](CC)C[C@@H]3C)cc2)n1 ZINC000089551230 454161520 /nfs/dbraw/zinc/16/15/20/454161520.db2.gz SIMAPUYVPYPWLV-MAUKXSAKSA-N 2 0 342.487 3.161 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)ccn1 ZINC000130301703 454187691 /nfs/dbraw/zinc/18/76/91/454187691.db2.gz AULLZQYDSMRSNW-GJZGRUSLSA-N 2 0 345.409 3.233 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000130383034 454193615 /nfs/dbraw/zinc/19/36/15/454193615.db2.gz JQKVLKWNMOYWGM-HXUWFJFHSA-N 2 0 342.487 3.027 20 0 EGADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2NC[C@@H](O)C[NH+](C)C ZINC000131490850 454257552 /nfs/dbraw/zinc/25/75/52/454257552.db2.gz KGRMTMNUUKUCTG-SJLPKXTDSA-N 2 0 334.504 3.018 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028818 454264427 /nfs/dbraw/zinc/26/44/27/454264427.db2.gz TZPVURQLGWJOOC-PXNSSMCTSA-N 2 0 343.515 3.181 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000090038689 454265294 /nfs/dbraw/zinc/26/52/94/454265294.db2.gz OZWXQFXWXFJJGW-UXHICEINSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[NH+](C)C ZINC000131859585 454291278 /nfs/dbraw/zinc/29/12/78/454291278.db2.gz GICYLCRZNRQBOX-NRFANRHFSA-N 2 0 349.538 3.399 20 0 EGADRP CCC(CC)(CO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000120503520 454311846 /nfs/dbraw/zinc/31/18/46/454311846.db2.gz YHAQFEDQBQUCSK-UHFFFAOYSA-N 2 0 347.547 3.105 20 0 EGADRP CCc1ccc(-c2ccc(C[NH2+]CC3(O)CC[NH+](C)CC3)o2)cc1 ZINC000072922964 454363464 /nfs/dbraw/zinc/36/34/64/454363464.db2.gz CNSZBGODESFYFB-UHFFFAOYSA-N 2 0 328.456 3.055 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000121125644 454395588 /nfs/dbraw/zinc/39/55/88/454395588.db2.gz YDTOUNVVWJNJHT-UYAOXDASSA-N 2 0 332.536 3.032 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000121161912 454399716 /nfs/dbraw/zinc/39/97/16/454399716.db2.gz JZEIZCBUQCSICY-ICSRJNTNSA-N 2 0 345.531 3.072 20 0 EGADRP COc1ccc([C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091283333 454421393 /nfs/dbraw/zinc/42/13/93/454421393.db2.gz PMVBBMCDIFGIND-LEWJYISDSA-N 2 0 347.547 3.254 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000047973818 454426114 /nfs/dbraw/zinc/42/61/14/454426114.db2.gz CEHJHKCXTMYHBB-UHFFFAOYSA-N 2 0 343.515 3.020 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000047978747 454428026 /nfs/dbraw/zinc/42/80/26/454428026.db2.gz VKQBZXTZCPPSBM-UHFFFAOYSA-N 2 0 343.515 3.020 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000048271514 454466033 /nfs/dbraw/zinc/46/60/33/454466033.db2.gz MUUPNGPQBZBZDN-IRXDYDNUSA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073887495 454497482 /nfs/dbraw/zinc/49/74/82/454497482.db2.gz XVKXCXXZICSMMG-LJQANCHMSA-N 2 0 338.455 3.237 20 0 EGADRP CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000073897669 454498437 /nfs/dbraw/zinc/49/84/37/454498437.db2.gz SYUMEJQOEPHEAB-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000074188336 454541973 /nfs/dbraw/zinc/54/19/73/454541973.db2.gz FQDOTXPBMFCNDG-SJORKVTESA-N 2 0 349.544 3.266 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122575266 454549133 /nfs/dbraw/zinc/54/91/33/454549133.db2.gz VSSXNISWKPLDQV-UYAOXDASSA-N 2 0 346.515 3.335 20 0 EGADRP COc1cc2c(c(C[NH+]3CCC(CC[NH+](C)C)CC3)c1)O[C@H](C)C2 ZINC000092380927 454558742 /nfs/dbraw/zinc/55/87/42/454558742.db2.gz ASVLQBAQLWWUBQ-OAHLLOKOSA-N 2 0 332.488 3.182 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000134563844 454561018 /nfs/dbraw/zinc/56/10/18/454561018.db2.gz KIFPGSFTLLZYQS-UWJYYQICSA-N 2 0 343.515 3.209 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000122743465 454565086 /nfs/dbraw/zinc/56/50/86/454565086.db2.gz ONDRZXUEWUFBJV-IBGZPJMESA-N 2 0 337.467 3.257 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123395169 454632085 /nfs/dbraw/zinc/63/20/85/454632085.db2.gz MXSJNZNBKXAKDM-KRWDZBQOSA-N 2 0 331.504 3.376 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635003363 460646659 /nfs/dbraw/zinc/64/66/59/460646659.db2.gz CJGRORNGJFSPFU-YFVAEKQCSA-N 2 0 339.483 3.481 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000635004229 460648093 /nfs/dbraw/zinc/64/80/93/460648093.db2.gz CRTZFVHVJGUDRX-NOLJZWGESA-N 2 0 347.894 3.397 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[NH+](C)C ZINC000106458476 454696073 /nfs/dbraw/zinc/69/60/73/454696073.db2.gz BIZGYDIFPMTESO-FQEVSTJZSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2ccccc21 ZINC000124488293 454739757 /nfs/dbraw/zinc/73/97/57/454739757.db2.gz XXPVMCGWWGOBJW-DYESRHJHSA-N 2 0 329.532 3.488 20 0 EGADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1OC(F)F ZINC000635009454 460652173 /nfs/dbraw/zinc/65/21/73/460652173.db2.gz NGWIOHMBTCJBIA-ZDUSSCGKSA-N 2 0 348.397 3.266 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000635011581 460653337 /nfs/dbraw/zinc/65/33/37/460653337.db2.gz QYJLOGVNFWHAJC-XMSQKQJNSA-N 2 0 349.522 3.475 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccccc3F)CC2)C[C@H](C)O1 ZINC000137578296 454781661 /nfs/dbraw/zinc/78/16/61/454781661.db2.gz MWCJAPRRHXATJR-CALCHBBNSA-N 2 0 334.479 3.189 20 0 EGADRP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000137727606 454784788 /nfs/dbraw/zinc/78/47/88/454784788.db2.gz GGTAFPDEKXXBKN-KRWDZBQOSA-N 2 0 347.503 3.078 20 0 EGADRP c1cncc([C@@H]2CCC[C@@H](Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)C2)c1 ZINC000635011611 460654401 /nfs/dbraw/zinc/65/44/01/460654401.db2.gz OBNHKMBRJZRCQO-SJLPKXTDSA-N 2 0 337.471 3.025 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000153367189 454786861 /nfs/dbraw/zinc/78/68/61/454786861.db2.gz OCAPAWGROOCEQG-JYBIWHBTSA-N 2 0 345.531 3.150 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000176990017 454808808 /nfs/dbraw/zinc/80/88/08/454808808.db2.gz WPSCPKKSNPCCAJ-UHFFFAOYSA-N 2 0 327.472 3.062 20 0 EGADRP Cc1ccc2c(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)oc2c1C ZINC000139820083 454812012 /nfs/dbraw/zinc/81/20/12/454812012.db2.gz KXEJPTVMKOEFCD-VQIMIIECSA-N 2 0 340.467 3.326 20 0 EGADRP Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000125590426 454833695 /nfs/dbraw/zinc/83/36/95/454833695.db2.gz KOFHCHJZDNHZBS-MRXNPFEDSA-N 2 0 343.446 3.231 20 0 EGADRP CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182226212 455465659 /nfs/dbraw/zinc/46/56/59/455465659.db2.gz QEMLVPMHQPRABV-SJLPKXTDSA-N 2 0 336.520 3.447 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000110821664 454853837 /nfs/dbraw/zinc/85/38/37/454853837.db2.gz ZHTYWTJDUVSKFH-DYVFJYSZSA-N 2 0 349.316 3.380 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)o1 ZINC000163549808 454854207 /nfs/dbraw/zinc/85/42/07/454854207.db2.gz JVNQQZKOWIIOHC-HNNXBMFYSA-N 2 0 349.519 3.119 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1=O ZINC000177450748 454864629 /nfs/dbraw/zinc/86/46/29/454864629.db2.gz CAEJXALFDNPJCG-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154258572 454879100 /nfs/dbraw/zinc/87/91/00/454879100.db2.gz XIBWTGLPKDCABD-QGZVFWFLSA-N 2 0 335.561 3.477 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)CC(C)C ZINC000164407469 454881407 /nfs/dbraw/zinc/88/14/07/454881407.db2.gz JHLLYGCBMLCTJK-NEWSRXKRSA-N 2 0 333.520 3.195 20 0 EGADRP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](O)CN(C)C)cc1C ZINC000154376541 454890779 /nfs/dbraw/zinc/89/07/79/454890779.db2.gz GCJGKJDKWWXQGK-NHCUHLMSSA-N 2 0 326.484 3.099 20 0 EGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCCO2 ZINC000154419796 454894722 /nfs/dbraw/zinc/89/47/22/454894722.db2.gz CIIXKCYCZCSTDF-HXUWFJFHSA-N 2 0 345.531 3.134 20 0 EGADRP CCOc1c(Cl)cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126661523 454910021 /nfs/dbraw/zinc/91/00/21/454910021.db2.gz LCFFDSYMIDHFOW-HUUCEWRRSA-N 2 0 338.879 3.464 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150967456 454919748 /nfs/dbraw/zinc/91/97/48/454919748.db2.gz RCWABVJNXKDVRH-MRXNPFEDSA-N 2 0 335.561 3.475 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000150995556 454923445 /nfs/dbraw/zinc/92/34/45/454923445.db2.gz FLOGJLOQSZHTIF-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151045855 454930153 /nfs/dbraw/zinc/93/01/53/454930153.db2.gz PAPVDMAWGVSKPY-JTDSTZFVSA-N 2 0 329.488 3.022 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151133106 454942728 /nfs/dbraw/zinc/94/27/28/454942728.db2.gz XPMSNNVEIRPXJY-OAHLLOKOSA-N 2 0 345.409 3.186 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCSC2)CC1 ZINC000127232520 454947906 /nfs/dbraw/zinc/94/79/06/454947906.db2.gz DVCMCPUTWXDDNJ-GOEBONIOSA-N 2 0 337.508 3.124 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CC2CC2)C2CCCCC2)CC1 ZINC000114456400 454955036 /nfs/dbraw/zinc/95/50/36/454955036.db2.gz KCKAWEBNOUWAGQ-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1nccn1CCC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000127375764 454958518 /nfs/dbraw/zinc/95/85/18/454958518.db2.gz ASSBHBCFAWQXSC-LJQANCHMSA-N 2 0 333.451 3.412 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000155060896 454959083 /nfs/dbraw/zinc/95/90/83/454959083.db2.gz KGODOHXWDQUZNY-VAMGGRTRSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155219821 454976604 /nfs/dbraw/zinc/97/66/04/454976604.db2.gz MLJHUCVVUAMHAB-JXFKEZNVSA-N 3 0 349.950 3.482 20 0 EGADRP c1cnn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)c1 ZINC000179169056 455016202 /nfs/dbraw/zinc/01/62/02/455016202.db2.gz UNOCKPQKANZYPP-WIYYLYMNSA-N 2 0 336.483 3.321 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000155596379 455020583 /nfs/dbraw/zinc/02/05/83/455020583.db2.gz NGQBWFQTADCBSY-GJZGRUSLSA-N 2 0 338.565 3.252 20 0 EGADRP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000128062381 455022850 /nfs/dbraw/zinc/02/28/50/455022850.db2.gz IRQVXBKZZFBLEW-BEVDRBHNSA-N 2 0 334.479 3.287 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128252116 455039372 /nfs/dbraw/zinc/03/93/72/455039372.db2.gz GJIFKCNSCDBAIC-OXJNMPFZSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccsc2S1 ZINC000128335383 455046462 /nfs/dbraw/zinc/04/64/62/455046462.db2.gz UESBWAFWPHIYEU-GOEBONIOSA-N 2 0 339.574 3.291 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000152056297 455067057 /nfs/dbraw/zinc/06/70/57/455067057.db2.gz AYXFGUYPPGZBAU-HNNXBMFYSA-N 2 0 342.439 3.207 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1OC(F)F ZINC000623654519 460661009 /nfs/dbraw/zinc/66/10/09/460661009.db2.gz BIKGVVLZCNUTBI-CQSZACIVSA-N 2 0 328.403 3.118 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1OC(F)F ZINC000623654518 460661208 /nfs/dbraw/zinc/66/12/08/460661208.db2.gz BIKGVVLZCNUTBI-AWEZNQCLSA-N 2 0 328.403 3.118 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1([NH3+])CCCCC1 ZINC000237590205 455197125 /nfs/dbraw/zinc/19/71/25/455197125.db2.gz GZHZJLOVFOZWLT-UHFFFAOYSA-N 2 0 347.528 3.144 20 0 EGADRP CN(C)c1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961099 455200210 /nfs/dbraw/zinc/20/02/10/455200210.db2.gz ZAIYVSDYVRODBL-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c(C[NH+](C)C)c1 ZINC000237718049 455211533 /nfs/dbraw/zinc/21/15/33/455211533.db2.gz JAJKMQXNAFESMR-BEFAXECRSA-N 2 0 325.456 3.331 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245868129 455387950 /nfs/dbraw/zinc/38/79/50/455387950.db2.gz KKJMRQZIUZATRW-BRWVUGGUSA-N 2 0 339.524 3.142 20 0 EGADRP CCN(CCCNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174455254 455392572 /nfs/dbraw/zinc/39/25/72/455392572.db2.gz YVWMXAQXHQANAX-UHFFFAOYSA-N 2 0 331.504 3.140 20 0 EGADRP CCOC(=O)CCCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184751281 455441314 /nfs/dbraw/zinc/44/13/14/455441314.db2.gz RDZMKMOKSIVXHJ-QZTJIDSGSA-N 2 0 346.515 3.466 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000191231714 455468948 /nfs/dbraw/zinc/46/89/48/455468948.db2.gz JZPMPVNIIRGTDD-BBWFWOEESA-N 2 0 336.524 3.312 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246354860 455474982 /nfs/dbraw/zinc/47/49/82/455474982.db2.gz IASXNDYFKXXZKO-NMSZZDKCSA-N 2 0 328.500 3.277 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000246370666 455478907 /nfs/dbraw/zinc/47/89/07/455478907.db2.gz LQTXZHVSZFNDFV-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000246919836 455535349 /nfs/dbraw/zinc/53/53/49/455535349.db2.gz GQYRDFQHJSXZRJ-BLLLJJGKSA-N 2 0 343.284 3.451 20 0 EGADRP [NH3+]CC1(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000185358407 455548025 /nfs/dbraw/zinc/54/80/25/455548025.db2.gz DJYKRRCCXTTZAE-IBGZPJMESA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000247137513 455565080 /nfs/dbraw/zinc/56/50/80/455565080.db2.gz SCEYMCGAWXCYLM-QWFCFKBJSA-N 2 0 330.516 3.362 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000182730713 455576923 /nfs/dbraw/zinc/57/69/23/455576923.db2.gz YCAJSZWMJMOFFS-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000268162543 455606267 /nfs/dbraw/zinc/60/62/67/455606267.db2.gz TZTLWDPNENGZGB-UHFFFAOYSA-N 2 0 349.544 3.194 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271445761 455638982 /nfs/dbraw/zinc/63/89/82/455638982.db2.gz CTFAHZDQRXLPGG-SJLPKXTDSA-N 2 0 332.488 3.379 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000185875500 455639407 /nfs/dbraw/zinc/63/94/07/455639407.db2.gz WWYNWNDZQHQZFP-GOSISDBHSA-N 2 0 345.531 3.124 20 0 EGADRP CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284161528 455644892 /nfs/dbraw/zinc/64/48/92/455644892.db2.gz DZYQALGGXIVIBR-ZWKOTPCHSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000284176076 455646560 /nfs/dbraw/zinc/64/65/60/455646560.db2.gz QUMBREYSRXJXHP-HUUCEWRRSA-N 2 0 345.466 3.103 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000247943303 455658318 /nfs/dbraw/zinc/65/83/18/455658318.db2.gz DEGUYTDEWZHXBX-OXQOHEQNSA-N 2 0 343.515 3.052 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000247989782 455666255 /nfs/dbraw/zinc/66/62/55/455666255.db2.gz JGVREPBHBBFIHH-KZNAEPCWSA-N 2 0 346.515 3.278 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc(OCC[NH+](C)C)c1 ZINC000271511943 455666379 /nfs/dbraw/zinc/66/63/79/455666379.db2.gz OCCVKCQSXBITMA-KBXCAEBGSA-N 2 0 328.460 3.078 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000271539933 455677143 /nfs/dbraw/zinc/67/71/43/455677143.db2.gz UCRIMPLZMXNLGN-YIKOMLBNSA-N 2 0 331.287 3.345 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271555455 455683448 /nfs/dbraw/zinc/68/34/48/455683448.db2.gz WPVYSOOVAGCJFN-YCPHGPKFSA-N 2 0 330.501 3.066 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C2CC2)cc1 ZINC000271578300 455690326 /nfs/dbraw/zinc/69/03/26/455690326.db2.gz ZVVXBLHWFWGXGH-BDTNDASRSA-N 2 0 342.527 3.284 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)/C=C/C[NH+](C)C)c1 ZINC000268656883 455711429 /nfs/dbraw/zinc/71/14/29/455711429.db2.gz QGBVCMWQWKLHDN-FMIVXFBMSA-N 2 0 331.504 3.043 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000271767383 455752915 /nfs/dbraw/zinc/75/29/15/455752915.db2.gz FGCOFACCIHXHEZ-NVXWUHKLSA-N 2 0 331.460 3.168 20 0 EGADRP CC[C@H](COC)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000268985210 455754182 /nfs/dbraw/zinc/75/41/82/455754182.db2.gz PYHIHKNYINHSOE-LJQANCHMSA-N 2 0 334.504 3.072 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249881349 455780784 /nfs/dbraw/zinc/78/07/84/455780784.db2.gz HQDJUGKPKBDFJR-BIRZXAFVSA-N 2 0 342.527 3.428 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000271868277 455793424 /nfs/dbraw/zinc/79/34/24/455793424.db2.gz WXUGSPGOJXIIER-UHFFFAOYSA-N 2 0 349.272 3.076 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186565538 455794884 /nfs/dbraw/zinc/79/48/84/455794884.db2.gz XHPAHFVACVZVGE-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000186579228 455797678 /nfs/dbraw/zinc/79/76/78/455797678.db2.gz VFPBLDOXGXCMDX-UONOGXRCSA-N 2 0 329.941 3.468 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000278306521 455812683 /nfs/dbraw/zinc/81/26/83/455812683.db2.gz AVUUNSHHMKAHDY-NRFANRHFSA-N 2 0 327.516 3.166 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269212735 455813175 /nfs/dbraw/zinc/81/31/75/455813175.db2.gz OJYZHHIBSKAITJ-UHFFFAOYSA-N 2 0 349.434 3.392 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000194215223 455816386 /nfs/dbraw/zinc/81/63/86/455816386.db2.gz GNZPWSHXLOOLFH-SFHVURJKSA-N 2 0 338.499 3.117 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCCCCC[NH3+])cc2)C1 ZINC000269244542 455820084 /nfs/dbraw/zinc/82/00/84/455820084.db2.gz DAMFGEMOBCHELQ-QGZVFWFLSA-N 2 0 347.503 3.255 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000194298335 455824855 /nfs/dbraw/zinc/82/48/55/455824855.db2.gz MPRRENKJCISHND-FQEVSTJZSA-N 2 0 330.472 3.190 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000252644170 455825258 /nfs/dbraw/zinc/82/52/58/455825258.db2.gz NMLUFYRJVKJCHT-SVFBPWRDSA-N 2 0 344.547 3.146 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000285484545 455856284 /nfs/dbraw/zinc/85/62/84/455856284.db2.gz OWKAGYWXMJDKRR-IRXDYDNUSA-N 2 0 340.515 3.496 20 0 EGADRP CC(C)OC(=O)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285495213 455858590 /nfs/dbraw/zinc/85/85/90/455858590.db2.gz MIAKNZUTLLIUOU-DFNIBXOVSA-N 2 0 330.472 3.309 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000272177182 455867366 /nfs/dbraw/zinc/86/73/66/455867366.db2.gz JLRNKUMZNULMCT-APWZRJJASA-N 2 0 340.467 3.401 20 0 EGADRP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(Cl)nc1 ZINC000272200371 455874895 /nfs/dbraw/zinc/87/48/95/455874895.db2.gz IXGWDJUOKGOHCL-BBRMVZONSA-N 2 0 345.878 3.443 20 0 EGADRP c1cn(CC[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000285611723 455881848 /nfs/dbraw/zinc/88/18/48/455881848.db2.gz KHJKHKQEQDDCSA-ACRUOGEOSA-N 2 0 338.499 3.164 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1-n1ccnn1 ZINC000285645184 455888994 /nfs/dbraw/zinc/88/89/94/455888994.db2.gz MAOSKZHTSXRWOU-GOSISDBHSA-N 2 0 341.503 3.430 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000194879054 455894676 /nfs/dbraw/zinc/89/46/76/455894676.db2.gz LTOUKVAIGBNCII-IBGZPJMESA-N 2 0 332.488 3.163 20 0 EGADRP COc1cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC(F)F ZINC000261683243 455928034 /nfs/dbraw/zinc/92/80/34/455928034.db2.gz KEANMWOGBLFYNZ-JKSUJKDBSA-N 2 0 348.393 3.223 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000270358605 455936609 /nfs/dbraw/zinc/93/66/09/455936609.db2.gz FYWVFKGZGZOJKT-LJQANCHMSA-N 2 0 329.488 3.402 20 0 EGADRP Fc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000261732048 455937421 /nfs/dbraw/zinc/93/74/21/455937421.db2.gz LZBGYYMEETYGBU-FQEVSTJZSA-N 2 0 336.414 3.158 20 0 EGADRP FC(F)(F)COc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000280320052 455946062 /nfs/dbraw/zinc/94/60/62/455946062.db2.gz QGJMGHRXWPQLSL-HOTGVXAUSA-N 2 0 342.405 3.387 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280343533 455951016 /nfs/dbraw/zinc/95/10/16/455951016.db2.gz QWIIKNWMGRGKQY-WMZOPIPTSA-N 2 0 332.488 3.076 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261858235 455960774 /nfs/dbraw/zinc/96/07/74/455960774.db2.gz FOMYEEDXNNCKNJ-RYUDHWBXSA-N 2 0 344.286 3.381 20 0 EGADRP C[C@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(Cl)c1 ZINC000187863517 455962499 /nfs/dbraw/zinc/96/24/99/455962499.db2.gz MJNKVZGZQRQVDG-MRXNPFEDSA-N 2 0 337.939 3.307 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000270502636 455970110 /nfs/dbraw/zinc/97/01/10/455970110.db2.gz NZJNULSDAGDAOC-PWRODBHTSA-N 2 0 340.511 3.446 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000261981132 455981579 /nfs/dbraw/zinc/98/15/79/455981579.db2.gz RKGVGFVDIHPMBX-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262096603 455997339 /nfs/dbraw/zinc/99/73/39/455997339.db2.gz IBAAEBSQDWYCRQ-NRFANRHFSA-N 2 0 335.495 3.142 20 0 EGADRP COc1c(O)cccc1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272612927 456014149 /nfs/dbraw/zinc/01/41/49/456014149.db2.gz KSYSOSBDPIMHFC-QFBILLFUSA-N 2 0 340.467 3.401 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286334370 456026861 /nfs/dbraw/zinc/02/68/61/456026861.db2.gz YAVIIMPUFRTNRD-DEYYWGMASA-N 2 0 332.488 3.016 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)[C@@H](C)C2 ZINC000272675168 456034576 /nfs/dbraw/zinc/03/45/76/456034576.db2.gz UKPDNKREWPMENO-LWILDLIXSA-N 2 0 328.500 3.196 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000262702406 456054928 /nfs/dbraw/zinc/05/49/28/456054928.db2.gz JGWYWNSOOHEDKO-FQEVSTJZSA-N 2 0 331.504 3.052 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000271004670 456093436 /nfs/dbraw/zinc/09/34/36/456093436.db2.gz KWLJSHVKVJASGN-ROUUACIJSA-N 2 0 326.488 3.293 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cc21 ZINC000263222130 456112726 /nfs/dbraw/zinc/11/27/26/456112726.db2.gz MASKNZRKIKPUTI-YLJYHZDGSA-N 2 0 342.487 3.049 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)CC3 ZINC000272934644 456116354 /nfs/dbraw/zinc/11/63/54/456116354.db2.gz OJQXVBMWSKXHOW-HNNXBMFYSA-N 2 0 341.499 3.355 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000273042435 456156729 /nfs/dbraw/zinc/15/67/29/456156729.db2.gz VKSNSNAMGMNUBH-FQEVSTJZSA-N 2 0 331.504 3.038 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236630397 456161608 /nfs/dbraw/zinc/16/16/08/456161608.db2.gz YWCBFAXPTUIHKK-YLJYHZDGSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)CC1 ZINC000271197199 456166222 /nfs/dbraw/zinc/16/62/22/456166222.db2.gz HYNWKZASTBQWNK-UHFFFAOYSA-N 2 0 340.515 3.158 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000236722596 456175135 /nfs/dbraw/zinc/17/51/35/456175135.db2.gz BGGBQXFAIHPVPV-UHFFFAOYSA-N 2 0 349.544 3.247 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000263660987 456185178 /nfs/dbraw/zinc/18/51/78/456185178.db2.gz FBWJITVANNDVKV-UHFFFAOYSA-N 2 0 337.895 3.473 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329116 456187072 /nfs/dbraw/zinc/18/70/72/456187072.db2.gz NUNJQKZXGBVIDL-DOTOQJQBSA-N 2 0 342.430 3.176 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000236929728 456202896 /nfs/dbraw/zinc/20/28/96/456202896.db2.gz XLDZCJHQADGYNQ-LJQANCHMSA-N 2 0 325.456 3.209 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000236922841 456203100 /nfs/dbraw/zinc/20/31/00/456203100.db2.gz BZNLVNGGQHQJNP-FQEVSTJZSA-N 2 0 339.483 3.235 20 0 EGADRP CCc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000236980064 456213865 /nfs/dbraw/zinc/21/38/65/456213865.db2.gz RKAZHYVDURVIRN-UXHICEINSA-N 2 0 339.483 3.058 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)N3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727785 456255037 /nfs/dbraw/zinc/25/50/37/456255037.db2.gz VQJBGDSUCYYFJN-KUHUBIRLSA-N 2 0 344.434 3.321 20 0 EGADRP CCOC1CC(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000297590121 456259010 /nfs/dbraw/zinc/25/90/10/456259010.db2.gz JCZGATXEHPJIAJ-UHFFFAOYSA-N 2 0 325.456 3.172 20 0 EGADRP Cc1[nH+]c2ccccc2c(NC[C@@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000302066002 456279088 /nfs/dbraw/zinc/27/90/88/456279088.db2.gz FCYXAZMFAIKCQB-QGZVFWFLSA-N 2 0 327.472 3.356 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)on1 ZINC000342873867 456288620 /nfs/dbraw/zinc/28/86/20/456288620.db2.gz YXOZLYHFBRVRKE-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP Cc1cccc(CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1C ZINC000275742359 456301848 /nfs/dbraw/zinc/30/18/48/456301848.db2.gz QETQOPWDPQIKGE-IBGZPJMESA-N 2 0 338.499 3.181 20 0 EGADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340190623 456302314 /nfs/dbraw/zinc/30/23/14/456302314.db2.gz IVLSKAJOSAJTHK-NHCUHLMSSA-N 2 0 327.516 3.286 20 0 EGADRP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275768768 456308127 /nfs/dbraw/zinc/30/81/27/456308127.db2.gz UQFHIFVMPFXRMR-NYVOZVTQSA-N 2 0 338.495 3.090 20 0 EGADRP C[NH+](C)CCOc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297871451 456314058 /nfs/dbraw/zinc/31/40/58/456314058.db2.gz PUVXRNDHFVAIIY-UHFFFAOYSA-N 2 0 340.471 3.103 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000290431943 456326550 /nfs/dbraw/zinc/32/65/50/456326550.db2.gz RSUGZGSLYIVNKI-CQSZACIVSA-N 2 0 333.501 3.326 20 0 EGADRP Cn1cncc1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000297997065 456339246 /nfs/dbraw/zinc/33/92/46/456339246.db2.gz ZGHVXJJRXCRZSX-AZUAARDMSA-N 2 0 327.472 3.331 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)c2ccccc2)C2CC2)CC1 ZINC000352831564 456345861 /nfs/dbraw/zinc/34/58/61/456345861.db2.gz LTTPNWKMPJVHMY-KRWDZBQOSA-N 2 0 343.515 3.201 20 0 EGADRP CC[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+](CC)CC ZINC000337542403 456368212 /nfs/dbraw/zinc/36/82/12/456368212.db2.gz AICMVIUJNMTIIV-CTWPCTMYSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000343088875 456398702 /nfs/dbraw/zinc/39/87/02/456398702.db2.gz BOJQIBUMSMVETR-GOSISDBHSA-N 2 0 340.556 3.059 20 0 EGADRP Cc1cc(C)n(CC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000276196196 456410405 /nfs/dbraw/zinc/41/04/05/456410405.db2.gz IZLKSJCMOBMUFA-IAGOWNOFSA-N 2 0 340.515 3.246 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@H]1SC ZINC000298269729 456410548 /nfs/dbraw/zinc/41/05/48/456410548.db2.gz GFLSOZNYDYVMPW-IYWMVGAKSA-N 2 0 348.556 3.050 20 0 EGADRP COc1ccccc1[C@H]1CC[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347862744 456412452 /nfs/dbraw/zinc/41/24/52/456412452.db2.gz WUNQJZVTOYIBSZ-AWEZNQCLSA-N 2 0 331.485 3.203 20 0 EGADRP CO[C@H](CC[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000340365981 456416704 /nfs/dbraw/zinc/41/67/04/456416704.db2.gz NQYKIMLWWVOWII-BZUAXINKSA-N 2 0 330.394 3.379 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(Cl)c2Cl)CC1(C)C ZINC000282210523 456444583 /nfs/dbraw/zinc/44/45/83/456444583.db2.gz DIHSSJANRZTPQA-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000340490685 456489374 /nfs/dbraw/zinc/48/93/74/456489374.db2.gz OSYODIIBJOIFOG-MSOLQXFVSA-N 2 0 345.531 3.455 20 0 EGADRP Clc1ccc(CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000303909366 456494214 /nfs/dbraw/zinc/49/42/14/456494214.db2.gz UEQRTRVKQWSHFZ-UHFFFAOYSA-N 2 0 336.907 3.317 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282415012 456504741 /nfs/dbraw/zinc/50/47/41/456504741.db2.gz SHUWPDNFQDUKMG-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP CCOC1CC(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000276595877 456525024 /nfs/dbraw/zinc/52/50/24/456525024.db2.gz JTKSUILBFPYENW-ZRZPHAQCSA-N 2 0 334.504 3.483 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291154102 456547204 /nfs/dbraw/zinc/54/72/04/456547204.db2.gz ZCHFQGPEFIRPOW-UHFFFAOYSA-N 2 0 333.476 3.009 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1OC ZINC000298832152 456550511 /nfs/dbraw/zinc/55/05/11/456550511.db2.gz HSTRHQKQDPKYPU-YOEHRIQHSA-N 2 0 341.455 3.173 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1CN(C)CCC[NH+]1CCCC1 ZINC000340597674 456558282 /nfs/dbraw/zinc/55/82/82/456558282.db2.gz IOHSXLLXAUBTJR-UHFFFAOYSA-N 2 0 326.488 3.407 20 0 EGADRP CSC1(C[NH2+]Cc2ccc3nc(C)ccc3c2)CC[NH+](C)CC1 ZINC000353213763 456565477 /nfs/dbraw/zinc/56/54/77/456565477.db2.gz AWXRIRNYOYZHDM-UHFFFAOYSA-N 2 0 329.513 3.460 20 0 EGADRP COCC1(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000291255877 456581156 /nfs/dbraw/zinc/58/11/56/456581156.db2.gz WMTFJWLXQPOBRY-UHFFFAOYSA-N 2 0 331.504 3.437 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc21 ZINC000282748247 456613923 /nfs/dbraw/zinc/61/39/23/456613923.db2.gz AOKCAGYFPBJNPR-RTBURBONSA-N 2 0 328.456 3.020 20 0 EGADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000316765098 456615339 /nfs/dbraw/zinc/61/53/39/456615339.db2.gz DBTGYOGWONWBIA-FZMZJTMJSA-N 2 0 344.286 3.381 20 0 EGADRP Cc1noc(CCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000353388391 456666699 /nfs/dbraw/zinc/66/66/99/456666699.db2.gz QWENOGPSFUWIEK-UHFFFAOYSA-N 2 0 342.487 3.343 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000353392616 456671105 /nfs/dbraw/zinc/67/11/05/456671105.db2.gz GQOWVVPBJNGHQE-QLOJAFMTSA-N 2 0 332.488 3.207 20 0 EGADRP CC(C)[C@H](C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000325797435 456686391 /nfs/dbraw/zinc/68/63/91/456686391.db2.gz JJBZGEIUDQGZHB-LEWJYISDSA-N 2 0 331.548 3.288 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000338187548 456693018 /nfs/dbraw/zinc/69/30/18/456693018.db2.gz MJTLHWKNHLVXMC-FXAWDEMLSA-N 2 0 345.531 3.473 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000338199314 456701092 /nfs/dbraw/zinc/70/10/92/456701092.db2.gz LBAVIEKNCJLGAU-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000343559458 456705737 /nfs/dbraw/zinc/70/57/37/456705737.db2.gz DKEVYTZPWNFDCD-QGZVFWFLSA-N 2 0 331.504 3.017 20 0 EGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000327763687 456709628 /nfs/dbraw/zinc/70/96/28/456709628.db2.gz QCCVTHOORLBSQE-PMACEKPBSA-N 2 0 343.515 3.196 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000343581302 456722300 /nfs/dbraw/zinc/72/23/00/456722300.db2.gz XFNIDMHQIRRJJI-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000291698241 456725286 /nfs/dbraw/zinc/72/52/86/456725286.db2.gz ANOFLJOHIDDVPI-MRXNPFEDSA-N 2 0 338.455 3.357 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000353529837 456738496 /nfs/dbraw/zinc/73/84/96/456738496.db2.gz RGUCWSXKTKGVQD-UHFFFAOYSA-N 2 0 330.394 3.248 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000343622821 456751788 /nfs/dbraw/zinc/75/17/88/456751788.db2.gz NRMISCSJJBHQNV-UHFFFAOYSA-N 2 0 348.535 3.097 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277269690 456753752 /nfs/dbraw/zinc/75/37/52/456753752.db2.gz MGPJLZZCMOVEKC-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CCOc1cccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000343712998 456766830 /nfs/dbraw/zinc/76/68/30/456766830.db2.gz GWCZDAQGZVXNGC-UHFFFAOYSA-N 2 0 340.471 3.224 20 0 EGADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)s1 ZINC000353625270 456812250 /nfs/dbraw/zinc/81/22/50/456812250.db2.gz FTBKBICYLOLCHG-GFCCVEGCSA-N 2 0 327.563 3.492 20 0 EGADRP CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000341276420 456831635 /nfs/dbraw/zinc/83/16/35/456831635.db2.gz ZUVMDECGQUWSDW-WIYYLYMNSA-N 2 0 345.531 3.122 20 0 EGADRP COCCC1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CCCC1 ZINC000341317216 456843972 /nfs/dbraw/zinc/84/39/72/456843972.db2.gz VBPWWZXJPDEJOE-UHFFFAOYSA-N 2 0 331.504 3.233 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000338686113 456851537 /nfs/dbraw/zinc/85/15/37/456851537.db2.gz DGPPTMZOSYJNID-GJJHYRHESA-N 2 0 342.483 3.385 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000292198931 456883029 /nfs/dbraw/zinc/88/30/29/456883029.db2.gz YCSCCHMKHFDAQL-FUHWJXTLSA-N 2 0 329.488 3.389 20 0 EGADRP COC1(CC[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCC1 ZINC000339012051 456899741 /nfs/dbraw/zinc/89/97/41/456899741.db2.gz HHRUTQWRUJVCDG-QZTJIDSGSA-N 2 0 338.536 3.157 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)CC1 ZINC000349191992 456908820 /nfs/dbraw/zinc/90/88/20/456908820.db2.gz OQCDXEYVUMGXMK-HNNXBMFYSA-N 2 0 332.879 3.151 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339068694 456926263 /nfs/dbraw/zinc/92/62/63/456926263.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 2 0 327.516 3.113 20 0 EGADRP c1ccc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)nc1 ZINC000339075656 456928229 /nfs/dbraw/zinc/92/82/29/456928229.db2.gz RGXCMFOANGDOTG-ICSRJNTNSA-N 2 0 337.467 3.377 20 0 EGADRP CC[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345206304 456967950 /nfs/dbraw/zinc/96/79/50/456967950.db2.gz PEVHIGZWLNZSIE-AZUAARDMSA-N 2 0 332.488 3.208 20 0 EGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)cc1 ZINC000339253298 457020946 /nfs/dbraw/zinc/02/09/46/457020946.db2.gz JJBUJOGRNNOFOI-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CCOc1cc2[nH+]ccc(N3C[C@@H]4C[NH+](C)C[C@H]4C3)c2cc1OCC ZINC000362672819 457037641 /nfs/dbraw/zinc/03/76/41/457037641.db2.gz VUMBKWNBQMBKAC-GJZGRUSLSA-N 2 0 341.455 3.030 20 0 EGADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102441 457056158 /nfs/dbraw/zinc/05/61/58/457056158.db2.gz GKUJTQLDPGLQQO-SVFBPWRDSA-N 2 0 329.532 3.361 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ncc(C)s2)[C@@H](C)C1 ZINC000349834209 457070733 /nfs/dbraw/zinc/07/07/33/457070733.db2.gz MSJBCKHMGRGJMK-ZOBUZTSGSA-N 2 0 339.549 3.282 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000346694933 457116383 /nfs/dbraw/zinc/11/63/83/457116383.db2.gz XJNOZYLNACKYIM-UHFFFAOYSA-N 2 0 335.521 3.044 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000354205485 457129917 /nfs/dbraw/zinc/12/99/17/457129917.db2.gz HASABEFGFXOXLV-QRQLOZEOSA-N 2 0 330.520 3.138 20 0 EGADRP O[C@@H](C[NH2+]CCCCc1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000354207825 457131411 /nfs/dbraw/zinc/13/14/11/457131411.db2.gz FYPZZSSPDJNSOA-HNNXBMFYSA-N 2 0 345.314 3.362 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)C[C@H]21 ZINC000342143768 457133818 /nfs/dbraw/zinc/13/38/18/457133818.db2.gz QSBKRUAXLCKDAK-UMVBOHGHSA-N 2 0 328.378 3.143 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C[C@H](C)O1 ZINC000362922835 457157571 /nfs/dbraw/zinc/15/75/71/457157571.db2.gz GRURERGKWMQZLC-GJZGRUSLSA-N 2 0 333.451 3.286 20 0 EGADRP CCCCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346842230 457182222 /nfs/dbraw/zinc/18/22/22/457182222.db2.gz HTOABXZCNXHUMD-BZSNNMDCSA-N 2 0 332.488 3.433 20 0 EGADRP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000354390086 457194661 /nfs/dbraw/zinc/19/46/61/457194661.db2.gz PDFNZQCEOBMVGG-FXAWDEMLSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342349088 457251011 /nfs/dbraw/zinc/25/10/11/457251011.db2.gz QLWJXQIMQSJIGG-UYAOXDASSA-N 2 0 338.536 3.159 20 0 EGADRP CC[C@@H]1C[C@H](C[NH+]2CCC(OCC[NH+](CC)CC)CC2)CCO1 ZINC000357001007 457267959 /nfs/dbraw/zinc/26/79/59/457267959.db2.gz XKLOOGBMZUPBDZ-QZTJIDSGSA-N 2 0 326.525 3.014 20 0 EGADRP CC(C)N1CCC[C@@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000357008145 457273746 /nfs/dbraw/zinc/27/37/46/457273746.db2.gz DXCNTEDSBPWXGX-AZUAARDMSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342424504 457296667 /nfs/dbraw/zinc/29/66/67/457296667.db2.gz WHNVWIMQEPWTEX-HNNXBMFYSA-N 2 0 347.890 3.396 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000342428183 457298942 /nfs/dbraw/zinc/29/89/42/457298942.db2.gz ZXRHFCRHNCOJPC-UXHICEINSA-N 2 0 339.483 3.305 20 0 EGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000360837968 457376343 /nfs/dbraw/zinc/37/63/43/457376343.db2.gz SORYTBVEHMTBIT-HOCLYGCPSA-N 2 0 344.421 3.073 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+]3CCC[C@H]3C2)cc1)C(C)C ZINC000363687600 457416287 /nfs/dbraw/zinc/41/62/87/457416287.db2.gz BBHXEBFFBLZOHZ-FQEVSTJZSA-N 2 0 343.515 3.227 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)Cc4occc43)C2)CC1 ZINC000363783891 457444963 /nfs/dbraw/zinc/44/49/63/457444963.db2.gz LVRSLAVNTGSRAZ-MAUKXSAKSA-N 2 0 331.504 3.051 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C ZINC000369891697 457448470 /nfs/dbraw/zinc/44/84/70/457448470.db2.gz GMJCDCYUURLUCY-UHFFFAOYSA-N 2 0 329.532 3.153 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000363811677 457452330 /nfs/dbraw/zinc/45/23/30/457452330.db2.gz CSWNTJUAYKLFGL-MSOLQXFVSA-N 2 0 345.531 3.131 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000347474045 457452466 /nfs/dbraw/zinc/45/24/66/457452466.db2.gz LKKPTNQFGIFEBJ-VQIMIIECSA-N 2 0 331.504 3.195 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cn(C)nc3C(F)F)CC2)CC1 ZINC000360964620 457471578 /nfs/dbraw/zinc/47/15/78/457471578.db2.gz VTZXKCTYDVQGBT-UHFFFAOYSA-N 2 0 340.462 3.490 20 0 EGADRP Fc1cccc(Br)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394800484 457474609 /nfs/dbraw/zinc/47/46/09/457474609.db2.gz NHSSNXWSEPYWDU-TXEJJXNPSA-N 2 0 327.241 3.020 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399107837 457506709 /nfs/dbraw/zinc/50/67/09/457506709.db2.gz YGCIOXSIEAYETO-GVDBMIGSSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000401130667 457524734 /nfs/dbraw/zinc/52/47/34/457524734.db2.gz NQDBLWSSNBFNJB-QNDFHXLGSA-N 2 0 327.516 3.017 20 0 EGADRP Cn1cncc1CCC[N@H+](C)Cc1cc(Br)cs1 ZINC000404205769 457538787 /nfs/dbraw/zinc/53/87/87/457538787.db2.gz MWMTYHDXWYWNJK-UHFFFAOYSA-N 2 0 328.279 3.309 20 0 EGADRP COC(=O)[C@@H](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000425405672 457539053 /nfs/dbraw/zinc/53/90/53/457539053.db2.gz LSWAKLNECOSOQG-FQEVSTJZSA-N 2 0 344.499 3.141 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(SC)s1 ZINC000356304742 457562324 /nfs/dbraw/zinc/56/23/24/457562324.db2.gz PSBDXVTWTJVGHG-OAHLLOKOSA-N 2 0 341.590 3.318 20 0 EGADRP Cc1noc(C2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)n1 ZINC000374512138 457645363 /nfs/dbraw/zinc/64/53/63/457645363.db2.gz AZCFXUNTKWVWED-UHFFFAOYSA-N 2 0 332.492 3.401 20 0 EGADRP CC[NH+](CC)CCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000361215034 457648649 /nfs/dbraw/zinc/64/86/49/457648649.db2.gz HOVJUWBZQOZMAJ-UHFFFAOYSA-N 2 0 340.556 3.062 20 0 EGADRP FC(F)(F)c1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000357844603 457709037 /nfs/dbraw/zinc/70/90/37/457709037.db2.gz GDMYVCQRIJSPSF-LSDHHAIUSA-N 2 0 343.393 3.086 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000357851294 457711589 /nfs/dbraw/zinc/71/15/89/457711589.db2.gz NXYWRFUCGZAQNY-QGZVFWFLSA-N 2 0 345.531 3.138 20 0 EGADRP CCC[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000374990935 457746624 /nfs/dbraw/zinc/74/66/24/457746624.db2.gz OVMLMKUCAHOTSY-LEWJYISDSA-N 2 0 329.532 3.282 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004302 457751851 /nfs/dbraw/zinc/75/18/51/457751851.db2.gz YCDJZFLAIFUYMM-UYAOXDASSA-N 2 0 338.499 3.312 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@H]1C ZINC000365412031 457756777 /nfs/dbraw/zinc/75/67/77/457756777.db2.gz TZNDZFQWWZZMES-IEZWGBDMSA-N 2 0 336.520 3.208 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@H]1C ZINC000365412032 457757104 /nfs/dbraw/zinc/75/71/04/457757104.db2.gz TZNDZFQWWZZMES-VDZJLULYSA-N 2 0 336.520 3.208 20 0 EGADRP CC(C)(C)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000433121553 457761817 /nfs/dbraw/zinc/76/18/17/457761817.db2.gz NYKOYOAQMNLTPH-IBGZPJMESA-N 2 0 349.494 3.232 20 0 EGADRP Cc1ccccc1[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)C ZINC000433128518 457762875 /nfs/dbraw/zinc/76/28/75/457762875.db2.gz WYHIYKCPWNBRNV-HXUWFJFHSA-N 2 0 331.504 3.012 20 0 EGADRP CCCn1ccc2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)ccc21 ZINC000433136494 457764708 /nfs/dbraw/zinc/76/47/08/457764708.db2.gz MAVVPCRCWDKZND-UHFFFAOYSA-N 2 0 342.487 3.193 20 0 EGADRP C[C@H](c1cccc(Cl)c1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433168445 457769322 /nfs/dbraw/zinc/76/93/22/457769322.db2.gz RVEQWHUFJSSEKL-CQSZACIVSA-N 2 0 337.895 3.063 20 0 EGADRP CCN1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000358161860 457825788 /nfs/dbraw/zinc/82/57/88/457825788.db2.gz RMZPTCOIBOFADI-HOCLYGCPSA-N 2 0 330.501 3.068 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000358177976 457839462 /nfs/dbraw/zinc/83/94/62/457839462.db2.gz YCGLXKLRSUKRDB-KRWDZBQOSA-N 2 0 348.535 3.008 20 0 EGADRP C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411295515 457851315 /nfs/dbraw/zinc/85/13/15/457851315.db2.gz QJPCKVFHANVVKV-SAHWJRBASA-N 2 0 334.529 3.014 20 0 EGADRP C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516490 457908866 /nfs/dbraw/zinc/90/88/66/457908866.db2.gz KCTQVOQHOZCBBO-PKOBYXMFSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000358339181 457943491 /nfs/dbraw/zinc/94/34/91/457943491.db2.gz XCBGPMYJIRLACH-ZDUSSCGKSA-N 2 0 332.366 3.038 20 0 EGADRP CO[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000411808357 457984298 /nfs/dbraw/zinc/98/42/98/457984298.db2.gz SFAKPMNEOHMWIK-YCKXBTPASA-N 2 0 340.552 3.116 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358449174 458010754 /nfs/dbraw/zinc/01/07/54/458010754.db2.gz SLGAPQPSEWUUDS-QYZOEREBSA-N 2 0 349.563 3.362 20 0 EGADRP c1ncn2c1C[C@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)CC2 ZINC000371902792 458115220 /nfs/dbraw/zinc/11/52/20/458115220.db2.gz ASAQEJWPHRMOJK-QGZVFWFLSA-N 2 0 349.438 3.259 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000375906098 458118545 /nfs/dbraw/zinc/11/85/45/458118545.db2.gz OFVVMSWNHMDOBB-TZIWHRDSSA-N 2 0 327.516 3.164 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000435372424 458121963 /nfs/dbraw/zinc/12/19/63/458121963.db2.gz APVOTJXZOQUZPQ-WFASDCNBSA-N 2 0 332.879 3.312 20 0 EGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435370023 458123294 /nfs/dbraw/zinc/12/32/94/458123294.db2.gz HIDQCQCKOSVZJN-SJORKVTESA-N 2 0 347.466 3.103 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc2)cs1 ZINC000435376942 458125704 /nfs/dbraw/zinc/12/57/04/458125704.db2.gz WKZHRQOUOAJDBX-XJKSGUPXSA-N 2 0 331.485 3.200 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435385852 458132778 /nfs/dbraw/zinc/13/27/78/458132778.db2.gz RVCHTEJMELCWGY-WMZOPIPTSA-N 2 0 325.456 3.220 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000428394343 458133525 /nfs/dbraw/zinc/13/35/25/458133525.db2.gz UKHDBQPTEHLHAL-CALCHBBNSA-N 2 0 329.488 3.402 20 0 EGADRP CC[N@H+](Cc1ccc(OC)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435391898 458136390 /nfs/dbraw/zinc/13/63/90/458136390.db2.gz UPQOPQXISXUZID-AWEZNQCLSA-N 2 0 341.293 3.422 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000358700742 458158823 /nfs/dbraw/zinc/15/88/23/458158823.db2.gz XKMVDUBJBFMAMO-IEBWSBKVSA-N 2 0 343.515 3.288 20 0 EGADRP c1nc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(N2CCCC2)n1 ZINC000435585126 458165804 /nfs/dbraw/zinc/16/58/04/458165804.db2.gz PXQZKSPSAXPWDM-KRWDZBQOSA-N 2 0 329.492 3.286 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435621459 458174017 /nfs/dbraw/zinc/17/40/17/458174017.db2.gz LNEYOUCJVSIQPV-QGZVFWFLSA-N 2 0 325.456 3.242 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000372057398 458177157 /nfs/dbraw/zinc/17/71/57/458177157.db2.gz GEAYUNWYAYWCRE-GOSISDBHSA-N 2 0 337.458 3.225 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000372095058 458191888 /nfs/dbraw/zinc/19/18/88/458191888.db2.gz MSPLZCKDMONHLK-DQLDELGASA-N 2 0 346.515 3.483 20 0 EGADRP C[NH2+]CCCN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000435884862 458218485 /nfs/dbraw/zinc/21/84/85/458218485.db2.gz XVWAUIILMVPNEQ-UHFFFAOYSA-N 2 0 338.455 3.298 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436251769 458276225 /nfs/dbraw/zinc/27/62/25/458276225.db2.gz JZAUCJIFHPLOKY-PWRODBHTSA-N 2 0 330.516 3.080 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC(C)(C)CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000436290060 458284163 /nfs/dbraw/zinc/28/41/63/458284163.db2.gz YNFBXAFHJZRTPK-XLIONFOSSA-N 2 0 329.532 3.316 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000369615633 458289711 /nfs/dbraw/zinc/28/97/11/458289711.db2.gz LGJCNSKNKAYXIV-ZQDZILKHSA-N 2 0 341.952 3.119 20 0 EGADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447599581 458319555 /nfs/dbraw/zinc/31/95/55/458319555.db2.gz KNCFGYMNAKBNLY-HNNXBMFYSA-N 2 0 347.528 3.271 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459383085 458353381 /nfs/dbraw/zinc/35/33/81/458353381.db2.gz FBVDYHRULUBBQR-HUUCEWRRSA-N 2 0 330.501 3.298 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423447180 458434472 /nfs/dbraw/zinc/43/44/72/458434472.db2.gz ZNMROBRXVHVYDB-MLGOLLRUSA-N 2 0 325.294 3.414 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423454243 458435317 /nfs/dbraw/zinc/43/53/17/458435317.db2.gz BXWMFLWTUWWSKC-DZKIICNBSA-N 2 0 330.476 3.139 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000423452560 458435403 /nfs/dbraw/zinc/43/54/03/458435403.db2.gz ZBWUZQGEIBQXPT-LJQANCHMSA-N 2 0 335.536 3.197 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1 ZINC000437214553 458435905 /nfs/dbraw/zinc/43/59/05/458435905.db2.gz NOWDZIVUQCBCGO-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000423493089 458442193 /nfs/dbraw/zinc/44/21/93/458442193.db2.gz PMCPAAKECXQFTM-ULQDDVLXSA-N 2 0 342.405 3.310 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CO2 ZINC000423506008 458446186 /nfs/dbraw/zinc/44/61/86/458446186.db2.gz IGGYWXOJNJDJPO-MJGOQNOKSA-N 2 0 326.440 3.069 20 0 EGADRP CSc1ccccc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505561 458446694 /nfs/dbraw/zinc/44/66/94/458446694.db2.gz HECJKRGPIZKPMH-GTPINHCMSA-N 2 0 333.545 3.276 20 0 EGADRP CCC[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1cccc(C(F)(F)F)c1 ZINC000423526185 458451546 /nfs/dbraw/zinc/45/15/46/458451546.db2.gz UYVCZUOEEPGHPR-JKSUJKDBSA-N 2 0 329.410 3.040 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423537628 458454875 /nfs/dbraw/zinc/45/48/75/458454875.db2.gz DJYTVMPTEYGTCL-ITQYTPKQSA-N 2 0 344.503 3.255 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423537456 458454893 /nfs/dbraw/zinc/45/48/93/458454893.db2.gz JZBSQIIUVVGBRY-RBUKOAKNSA-N 2 0 334.891 3.330 20 0 EGADRP Cn1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(Cl)cc2)n1 ZINC000423543078 458454957 /nfs/dbraw/zinc/45/49/57/458454957.db2.gz MTXVUZZPKGNDDJ-MFWIUYSUSA-N 2 0 344.890 3.141 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)nc1 ZINC000423545215 458455853 /nfs/dbraw/zinc/45/58/53/458455853.db2.gz OZBCJLNSWLFNFD-YNVMFWSZSA-N 2 0 325.431 3.288 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430548262 458459686 /nfs/dbraw/zinc/45/96/86/458459686.db2.gz BUBBVKQACYNLPY-AEFFLSMTSA-N 2 0 325.456 3.220 20 0 EGADRP CC(C)[C@](C)(C[NH3+])NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000430583724 458466992 /nfs/dbraw/zinc/46/69/92/458466992.db2.gz SWKWRNIYNMLZLG-FQEVSTJZSA-N 2 0 325.456 3.402 20 0 EGADRP CC(C)c1ccc([C@@H](NC(=O)C[NH+]2CCC(C[NH3+])CC2)C(C)C)cc1 ZINC000430611701 458471693 /nfs/dbraw/zinc/47/16/93/458471693.db2.gz OVPCIQKTALMDSE-NRFANRHFSA-N 2 0 345.531 3.294 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000430663933 458477061 /nfs/dbraw/zinc/47/70/61/458477061.db2.gz KPQZUXDRXLTPPN-UHFFFAOYSA-N 2 0 337.467 3.366 20 0 EGADRP C[C@@]([NH3+])(C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000423767035 458481455 /nfs/dbraw/zinc/48/14/55/458481455.db2.gz DAQDZIRIKSECCY-NRFANRHFSA-N 2 0 337.467 3.138 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000423777382 458482844 /nfs/dbraw/zinc/48/28/44/458482844.db2.gz BVAUAXLFEKMIJP-KXBFYZLASA-N 2 0 325.456 3.331 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000430736828 458486162 /nfs/dbraw/zinc/48/61/62/458486162.db2.gz VKSXJBCNARWUNW-JQHSSLGASA-N 2 0 331.504 3.140 20 0 EGADRP C[C@@H]1C[C@@H](CCNC(=O)C2([NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423891729 458507103 /nfs/dbraw/zinc/50/71/03/458507103.db2.gz BRYKANIELGNFDU-IEBWSBKVSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000373602674 458548409 /nfs/dbraw/zinc/54/84/09/458548409.db2.gz GDSLVQSVYQXRTK-KBMXLJTQSA-N 2 0 342.405 3.089 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000461225975 458552689 /nfs/dbraw/zinc/55/26/89/458552689.db2.gz KXDAWVGKSBVFOC-LMMKCTJWSA-N 2 0 348.535 3.097 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)CN(Cc2ccccc2)C1 ZINC000438354948 458568811 /nfs/dbraw/zinc/56/88/11/458568811.db2.gz QQQAHLAFRCHGMT-COPCDDAFSA-N 2 0 338.495 3.090 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000438358094 458570044 /nfs/dbraw/zinc/57/00/44/458570044.db2.gz ZVXLOSRSMHEXNC-NRFANRHFSA-N 2 0 340.511 3.338 20 0 EGADRP COC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000493800021 458571311 /nfs/dbraw/zinc/57/13/11/458571311.db2.gz XKWIJIDXTGQJNJ-RVKKMQEKSA-N 2 0 340.895 3.116 20 0 EGADRP [NH3+]CCOc1ccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000424160577 458573820 /nfs/dbraw/zinc/57/38/20/458573820.db2.gz XFDNMRGHVIFUQT-MRXNPFEDSA-N 2 0 333.476 3.041 20 0 EGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424189693 458581911 /nfs/dbraw/zinc/58/19/11/458581911.db2.gz DRUAXJAQNCDZIW-QUCCMNQESA-N 2 0 349.563 3.301 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438552977 458597364 /nfs/dbraw/zinc/59/73/64/458597364.db2.gz PSXWSFZJSHJDMC-NSHGMRRFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493941491 458603914 /nfs/dbraw/zinc/60/39/14/458603914.db2.gz LCZMICFKHAAOEK-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302357 458610957 /nfs/dbraw/zinc/61/09/57/458610957.db2.gz ZGUSEOSXUNOACV-HNNXBMFYSA-N 2 0 347.528 3.201 20 0 EGADRP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000493988816 458611986 /nfs/dbraw/zinc/61/19/86/458611986.db2.gz LLBTZIAZSWIFKX-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(-c2ccnn2C)c1 ZINC000424371288 458628221 /nfs/dbraw/zinc/62/82/21/458628221.db2.gz DKVMEMXBBDSTEZ-QGZVFWFLSA-N 2 0 338.499 3.360 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)s1 ZINC000424376224 458629556 /nfs/dbraw/zinc/62/95/56/458629556.db2.gz KPBCPBWUIKOJJR-UHFFFAOYSA-N 2 0 345.516 3.077 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000439000822 458640763 /nfs/dbraw/zinc/64/07/63/458640763.db2.gz XGDVDMSODFTUMV-RDJZCZTQSA-N 2 0 347.503 3.425 20 0 EGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456355059 458642412 /nfs/dbraw/zinc/64/24/12/458642412.db2.gz PUXQXQZJZAZQTE-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCOCC[NH+](C)C ZINC000462822631 458656517 /nfs/dbraw/zinc/65/65/17/458656517.db2.gz PLMVBILELSJFGA-INIZCTEOSA-N 2 0 331.504 3.392 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470977475 458671800 /nfs/dbraw/zinc/67/18/00/458671800.db2.gz XMXTXWLJOAZZEP-HOCLYGCPSA-N 2 0 349.906 3.331 20 0 EGADRP CC[C@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000546810624 458677984 /nfs/dbraw/zinc/67/79/84/458677984.db2.gz SXJPDIPWQSRTSB-LEWJYISDSA-N 2 0 329.532 3.457 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000494508819 458691092 /nfs/dbraw/zinc/69/10/92/458691092.db2.gz BWCJLHJIKQTMSV-HXUWFJFHSA-N 2 0 341.499 3.484 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1csc(Cl)c1Cl ZINC000432250917 458705138 /nfs/dbraw/zinc/70/51/38/458705138.db2.gz OLEZNZUCQHIIPE-GFCCVEGCSA-N 2 0 337.316 3.381 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530212503 458718437 /nfs/dbraw/zinc/71/84/37/458718437.db2.gz QNEQPPVUOHWLLC-HNNXBMFYSA-N 2 0 334.508 3.499 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(-c3ccncc3)c2)CCCO1 ZINC000432357967 458723328 /nfs/dbraw/zinc/72/33/28/458723328.db2.gz NPICTDHDXNSUDI-SFHVURJKSA-N 2 0 339.483 3.339 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C12CCCCC2 ZINC000432430664 458739316 /nfs/dbraw/zinc/73/93/16/458739316.db2.gz UDXNGSVNSGHPTB-GUDVDZBRSA-N 2 0 338.536 3.205 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494943357 458769229 /nfs/dbraw/zinc/76/92/29/458769229.db2.gz VWURGBZPPUDEOH-INIZCTEOSA-N 2 0 331.504 3.161 20 0 EGADRP CCOc1ccc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1F ZINC000494952877 458772656 /nfs/dbraw/zinc/77/26/56/458772656.db2.gz PIWOTDHBTOOCQQ-KRWDZBQOSA-N 2 0 338.467 3.157 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccccc1-n1ccnc1)C1CCCCC1 ZINC000547732179 458780781 /nfs/dbraw/zinc/78/07/81/458780781.db2.gz WLZIXIPETIIWGH-UHFFFAOYSA-N 2 0 326.444 3.465 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](CC)CC ZINC000530831199 458832659 /nfs/dbraw/zinc/83/26/59/458832659.db2.gz WUWWAESPQMBBSR-IRXDYDNUSA-N 2 0 339.911 3.179 20 0 EGADRP CC1=CCN(CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000495443951 458858696 /nfs/dbraw/zinc/85/86/96/458858696.db2.gz VMSBHEWXEZELTR-UHFFFAOYSA-N 2 0 337.508 3.064 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000457119120 458874148 /nfs/dbraw/zinc/87/41/48/458874148.db2.gz NAZDMLGCFZOMKT-HXUWFJFHSA-N 2 0 343.515 3.226 20 0 EGADRP CCOC(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000495736036 458934078 /nfs/dbraw/zinc/93/40/78/458934078.db2.gz ZPZGGVRYWHNLQD-MOPGFXCFSA-N 2 0 345.487 3.032 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441397236 458935230 /nfs/dbraw/zinc/93/52/30/458935230.db2.gz TUIDJGZMBVXJPH-ZWOKBUDYSA-N 2 0 341.499 3.271 20 0 EGADRP FC(F)(F)Cn1cc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000566555714 458959579 /nfs/dbraw/zinc/95/95/79/458959579.db2.gz SIFGHWZMJQWTRL-CVEARBPZSA-N 2 0 338.377 3.028 20 0 EGADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000577219310 459000673 /nfs/dbraw/zinc/00/06/73/459000673.db2.gz ZNELDRMBEGHNDK-FQEVSTJZSA-N 2 0 343.515 3.237 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000566849853 459009725 /nfs/dbraw/zinc/00/97/25/459009725.db2.gz RIGXJBBQNYZBCO-ZDUSSCGKSA-N 2 0 345.409 3.400 20 0 EGADRP C[N@@H+]1CCN(Cc2nccn2Cc2ccccc2)CC12CCCCC2 ZINC000566922939 459022825 /nfs/dbraw/zinc/02/28/25/459022825.db2.gz FAPRBIGQOPMSSJ-UHFFFAOYSA-N 2 0 338.499 3.382 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000532195837 459044938 /nfs/dbraw/zinc/04/49/38/459044938.db2.gz OAMHBADULRNBGH-OAHLLOKOSA-N 2 0 343.437 3.384 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCC2 ZINC000442878120 459049938 /nfs/dbraw/zinc/04/99/38/459049938.db2.gz SGTJKGYEWVCARL-QGZVFWFLSA-N 2 0 329.532 3.242 20 0 EGADRP C[C@H](O)[C@@](C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000577571592 459051722 /nfs/dbraw/zinc/05/17/22/459051722.db2.gz UOZUZZIEZWJAHA-LAUBAEHRSA-N 2 0 330.516 3.080 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000442926317 459061157 /nfs/dbraw/zinc/06/11/57/459061157.db2.gz YIHNIOIYVBKQLU-AWEZNQCLSA-N 2 0 331.485 3.380 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442920378 459061377 /nfs/dbraw/zinc/06/13/77/459061377.db2.gz LCOKQTZZUBRNIM-CYBMUJFWSA-N 2 0 326.868 3.308 20 0 EGADRP CCN(CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999357 459064198 /nfs/dbraw/zinc/06/41/98/459064198.db2.gz BNWFXQUQPXBSEU-XLIONFOSSA-N 2 0 345.531 3.265 20 0 EGADRP COC1CC[NH+](C2(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)CCCC2)CC1 ZINC000520565005 459071522 /nfs/dbraw/zinc/07/15/22/459071522.db2.gz ZICXMVAEAVWNQG-UXHICEINSA-N 2 0 343.515 3.144 20 0 EGADRP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000558322766 459146790 /nfs/dbraw/zinc/14/67/90/459146790.db2.gz XGEYSESCNUNNAI-IHWFROFDSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000578349619 459186155 /nfs/dbraw/zinc/18/61/55/459186155.db2.gz IRTDKDIUMXKCLY-FXAWDEMLSA-N 2 0 348.531 3.145 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000480554612 459204844 /nfs/dbraw/zinc/20/48/44/459204844.db2.gz NOWDGKBTMXOPAF-FGZHOGPDSA-N 2 0 345.575 3.424 20 0 EGADRP Cc1cc(C)cc(NC(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000533271418 459210960 /nfs/dbraw/zinc/21/09/60/459210960.db2.gz WHQCLIRNGKHDLM-UHFFFAOYSA-N 2 0 331.504 3.294 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480702328 459214291 /nfs/dbraw/zinc/21/42/91/459214291.db2.gz VOZXXECGMGBTSY-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000559071158 459234748 /nfs/dbraw/zinc/23/47/48/459234748.db2.gz LSUZCQIEKSPFBO-FPOVZHCZSA-N 2 0 348.506 3.317 20 0 EGADRP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000559071159 459235250 /nfs/dbraw/zinc/23/52/50/459235250.db2.gz LSUZCQIEKSPFBO-PZJWPPBQSA-N 2 0 348.506 3.317 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000481493802 459257316 /nfs/dbraw/zinc/25/73/16/459257316.db2.gz KYCHIUKNLCOTQN-LJQANCHMSA-N 2 0 345.531 3.106 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496677886 459283128 /nfs/dbraw/zinc/28/31/28/459283128.db2.gz NPTPNVXOEHTHIT-ULQDDVLXSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000582008436 459292206 /nfs/dbraw/zinc/29/22/06/459292206.db2.gz MWUPUJJWQCDBPS-MRXNPFEDSA-N 2 0 339.483 3.078 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000523775260 459331803 /nfs/dbraw/zinc/33/18/03/459331803.db2.gz HFVCCYCNOWBYRA-HXUWFJFHSA-N 2 0 343.515 3.234 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000524156184 459348949 /nfs/dbraw/zinc/34/89/49/459348949.db2.gz RBUQVTMWZGQSQS-UHFFFAOYSA-N 2 0 348.487 3.236 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483201302 459349454 /nfs/dbraw/zinc/34/94/54/459349454.db2.gz QFQQBIVUEVLBFR-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000496957067 459385092 /nfs/dbraw/zinc/38/50/92/459385092.db2.gz PYLIFZWILXSOJM-TWMKSMIVSA-N 2 0 339.524 3.142 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)c1OC ZINC000582682004 459409103 /nfs/dbraw/zinc/40/91/03/459409103.db2.gz ZLDMOUGHNBFVFD-MRXNPFEDSA-N 2 0 334.504 3.409 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000569247984 459421513 /nfs/dbraw/zinc/42/15/13/459421513.db2.gz GQPKUQYKINUICV-UHFFFAOYSA-N 2 0 325.456 3.221 20 0 EGADRP Clc1ccccc1CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000541281948 459438226 /nfs/dbraw/zinc/43/82/26/459438226.db2.gz JMYKDYJQAHYRPK-UHFFFAOYSA-N 2 0 336.907 3.317 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000497174654 459472245 /nfs/dbraw/zinc/47/22/45/459472245.db2.gz AHOFCHGWZIVUHW-JKSUJKDBSA-N 2 0 339.524 3.286 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000583069863 459477451 /nfs/dbraw/zinc/47/74/51/459477451.db2.gz NBLWOHNBXZTDMN-OAQYLSRUSA-N 2 0 327.516 3.164 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497238477 459498550 /nfs/dbraw/zinc/49/85/50/459498550.db2.gz YJQIKPRTLJGXKM-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000497247267 459501744 /nfs/dbraw/zinc/50/17/44/459501744.db2.gz ZQDQACPWKDIQTE-DLBZAZTESA-N 2 0 341.540 3.390 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000497303446 459521394 /nfs/dbraw/zinc/52/13/94/459521394.db2.gz AYWYOXQYLWMWRX-BRWVUGGUSA-N 2 0 339.524 3.144 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497317569 459526342 /nfs/dbraw/zinc/52/63/42/459526342.db2.gz YJQIKPRTLJGXKM-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497317570 459526652 /nfs/dbraw/zinc/52/66/52/459526652.db2.gz YJQIKPRTLJGXKM-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP [NH3+]CCC[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000583683224 459580346 /nfs/dbraw/zinc/58/03/46/459580346.db2.gz YPNKJYQYZMRJFO-MOPGFXCFSA-N 2 0 325.456 3.063 20 0 EGADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000572929194 459596256 /nfs/dbraw/zinc/59/62/56/459596256.db2.gz SAYCZRKCMGXJFA-ZWJWXYIHSA-N 2 0 332.536 3.402 20 0 EGADRP c1cc(C2CCCC2)ccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000583986915 459629968 /nfs/dbraw/zinc/62/99/68/459629968.db2.gz PKHLJILNHNGMOH-LJQANCHMSA-N 2 0 328.500 3.498 20 0 EGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@H]3CCSC3)cc2)C[C@H]1C ZINC000543414866 459654810 /nfs/dbraw/zinc/65/48/10/459654810.db2.gz CJYXXQSZDWXACX-SCTDSRPQSA-N 2 0 348.556 3.291 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527653039 459685478 /nfs/dbraw/zinc/68/54/78/459685478.db2.gz IIYVQKHAGDWFOB-UHFFFAOYSA-N 2 0 346.700 3.319 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCN(C(C)(C)C)C3=O)CC2)C1 ZINC000584231632 459686537 /nfs/dbraw/zinc/68/65/37/459686537.db2.gz GYUUROZYJWBENL-NXHRZFHOSA-N 2 0 335.536 3.019 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2CC)c1 ZINC000563090423 459714251 /nfs/dbraw/zinc/71/42/51/459714251.db2.gz NVFVHRUAHIDILF-VQTJNVASSA-N 2 0 345.531 3.313 20 0 EGADRP C[N@H+](C[C@H](O)CN[C@@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676420 459716560 /nfs/dbraw/zinc/71/65/60/459716560.db2.gz JXZARNZRYRGLIS-UXHICEINSA-N 2 0 344.886 3.474 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000563115204 459717613 /nfs/dbraw/zinc/71/76/13/459717613.db2.gz NUYXAFCITFMRSS-PKOBYXMFSA-N 2 0 331.504 3.164 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000573794326 459736211 /nfs/dbraw/zinc/73/62/11/459736211.db2.gz FKEMMTROKOIWTQ-UHFFFAOYSA-N 2 0 335.467 3.173 20 0 EGADRP C/C(=C\c1ccccc1)C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501877007 459750083 /nfs/dbraw/zinc/75/00/83/459750083.db2.gz WGOWMONLOMEHIP-LVZFUZTISA-N 2 0 329.532 3.438 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)ccn2)cc1 ZINC000566089405 459803160 /nfs/dbraw/zinc/80/31/60/459803160.db2.gz PFCMXJWXYFZSEM-KXBFYZLASA-N 2 0 341.455 3.360 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574565347 459834632 /nfs/dbraw/zinc/83/46/32/459834632.db2.gz QQJFIFOAUUDTNQ-RCLSDMTESA-N 2 0 332.532 3.499 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000593723569 459964285 /nfs/dbraw/zinc/96/42/85/459964285.db2.gz YNFFOBXLIKVFTL-BLIXFSHQSA-N 2 0 346.515 3.358 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC)cs2)c1 ZINC000602543646 459990742 /nfs/dbraw/zinc/99/07/42/459990742.db2.gz FFKBQGUKBWYYGN-UHFFFAOYSA-N 2 0 332.469 3.276 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000621642546 459994073 /nfs/dbraw/zinc/99/40/73/459994073.db2.gz QBTFGYRUPXTJLA-RDJZCZTQSA-N 2 0 337.533 3.027 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000621642309 459994716 /nfs/dbraw/zinc/99/47/16/459994716.db2.gz JYNGYKSECZEPPT-SFHVURJKSA-N 2 0 329.488 3.043 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000621652063 459997084 /nfs/dbraw/zinc/99/70/84/459997084.db2.gz VCSFESGOYSPGQX-MDZRGWNJSA-N 2 0 349.544 3.027 20 0 EGADRP COC(=O)c1csc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000602593181 460014106 /nfs/dbraw/zinc/01/41/06/460014106.db2.gz MYXWIHOROBJSIT-UHFFFAOYSA-N 2 0 344.480 3.420 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000618661313 460112206 /nfs/dbraw/zinc/11/22/06/460112206.db2.gz PZGMLDAVUDHBJS-INIZCTEOSA-N 2 0 347.503 3.258 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000598988696 460118492 /nfs/dbraw/zinc/11/84/92/460118492.db2.gz QQROEKKYDHVCTI-KRWDZBQOSA-N 2 0 347.503 3.020 20 0 EGADRP COC(=O)CC1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000599018974 460128224 /nfs/dbraw/zinc/12/82/24/460128224.db2.gz ICSCFIKXOBJKMY-UHFFFAOYSA-N 2 0 344.499 3.494 20 0 EGADRP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000589743162 460134797 /nfs/dbraw/zinc/13/47/97/460134797.db2.gz AALIKDQBITYHEK-MJGOQNOKSA-N 2 0 344.499 3.363 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622550164 460276368 /nfs/dbraw/zinc/27/63/68/460276368.db2.gz ACUUSIMHSXGGSC-LJQANCHMSA-N 2 0 335.536 3.118 20 0 EGADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000631566800 460445850 /nfs/dbraw/zinc/44/58/50/460445850.db2.gz SCCSSHBIZCMCEH-SFHVURJKSA-N 2 0 342.531 3.106 20 0 EGADRP Cc1cccc([C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000623893585 460765027 /nfs/dbraw/zinc/76/50/27/460765027.db2.gz WGSVVURVSWIIQQ-PZJWPPBQSA-N 2 0 329.532 3.450 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cc2c1 ZINC000629536909 460799128 /nfs/dbraw/zinc/79/91/28/460799128.db2.gz HSJUMYZEGHJRLG-TZIWHRDSSA-N 2 0 339.483 3.262 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)c2ccccc21 ZINC000624078154 460848236 /nfs/dbraw/zinc/84/82/36/460848236.db2.gz UPEFDIKLILOZER-ICSRJNTNSA-N 2 0 341.499 3.481 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629656181 460850580 /nfs/dbraw/zinc/85/05/80/460850580.db2.gz MWTIXUCGJXGNGR-GUTXKFCHSA-N 2 0 328.378 3.012 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000624119675 460868895 /nfs/dbraw/zinc/86/88/95/460868895.db2.gz GVHOZSITUICRGH-WMZOPIPTSA-N 2 0 331.504 3.342 20 0 EGADRP COCCOc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1 ZINC000629701119 460873284 /nfs/dbraw/zinc/87/32/84/460873284.db2.gz YKSFDVRTTZOLQR-UHFFFAOYSA-N 2 0 340.467 3.302 20 0 EGADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000621109271 460894082 /nfs/dbraw/zinc/89/40/82/460894082.db2.gz SEVBVKQZPUJDIL-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000635722660 460897880 /nfs/dbraw/zinc/89/78/80/460897880.db2.gz CGCUOLDDBWDDJQ-HXUWFJFHSA-N 2 0 347.547 3.118 20 0 EGADRP CCCN(CCC[NH+](C)C)Cc1cc(C)c(Br)cn1 ZINC000628279943 461069987 /nfs/dbraw/zinc/06/99/87/461069987.db2.gz IWJHITLLGWQBQF-UHFFFAOYSA-N 2 0 328.298 3.316 20 0 EGADRP CN(CCC[N@H+](C)Cc1csc(C(F)(F)F)c1)CC[NH+](C)C ZINC000628283061 461072693 /nfs/dbraw/zinc/07/26/93/461072693.db2.gz DKMPNERHBSATDO-UHFFFAOYSA-N 2 0 337.455 3.082 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)C[N@H+](C)C2CCC2)c2cccs2)CC1 ZINC000608501136 461076393 /nfs/dbraw/zinc/07/63/93/461076393.db2.gz ZJUBLQXJDKOPIP-KRWDZBQOSA-N 2 0 349.544 3.122 20 0 EGADRP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000652349368 461142056 /nfs/dbraw/zinc/14/20/56/461142056.db2.gz MDPCIFWWPKFVMG-RRFJBIMHSA-N 2 0 337.533 3.159 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Cl)C1 ZINC000652363427 461156975 /nfs/dbraw/zinc/15/69/75/461156975.db2.gz DNILBPIDHITNMB-HYVNUMGLSA-N 2 0 326.843 3.340 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH+]1CCC(CC[NH+](C)C)CC1)CC2 ZINC000637965886 461158196 /nfs/dbraw/zinc/15/81/96/461158196.db2.gz WTNLJBJSPJEWGL-GOSISDBHSA-N 2 0 332.488 3.355 20 0 EGADRP Fc1ccc(SCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000662274328 461160897 /nfs/dbraw/zinc/16/08/97/461160897.db2.gz VISIPBQBSQJSQA-CQSZACIVSA-N 2 0 326.456 3.378 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000662286945 461168139 /nfs/dbraw/zinc/16/81/39/461168139.db2.gz UQDNVWXKDXRXSK-XCJLJZCSSA-N 2 0 328.500 3.325 20 0 EGADRP CCC[C@H]([NH3+])c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179926 461168511 /nfs/dbraw/zinc/16/85/11/461168511.db2.gz WVBJQZWGMACTRE-SFHVURJKSA-N 2 0 327.476 3.112 20 0 EGADRP Cc1cncc(CC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549158 461168776 /nfs/dbraw/zinc/16/87/76/461168776.db2.gz WCVPALCYWFDHJL-GHTZIAJQSA-N 2 0 338.499 3.312 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000662312048 461184052 /nfs/dbraw/zinc/18/40/52/461184052.db2.gz FLLGSTVWPSRUFT-QUCCMNQESA-N 2 0 332.488 3.019 20 0 EGADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000638023475 461203178 /nfs/dbraw/zinc/20/31/78/461203178.db2.gz NYCZDDUFMKZTDB-UYAOXDASSA-N 2 0 338.536 3.016 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]([NH3+])CCC(C)C ZINC000638090773 461236046 /nfs/dbraw/zinc/23/60/46/461236046.db2.gz YNMRXOYFLAHTKC-QGZVFWFLSA-N 2 0 349.544 3.246 20 0 EGADRP O=C(CCC1CC[NH2+]CC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646409973 461244121 /nfs/dbraw/zinc/24/41/21/461244121.db2.gz IHRXXKQYSOAICJ-FQEVSTJZSA-N 2 0 343.515 3.110 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc2c1C[NH2+]C2)c1ccccc1 ZINC000662444898 461245529 /nfs/dbraw/zinc/24/55/29/461245529.db2.gz MXWIHOJHTOYVGD-HNNXBMFYSA-N 2 0 337.467 3.149 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000662463548 461253908 /nfs/dbraw/zinc/25/39/08/461253908.db2.gz ZOKXUTIDFYHOIY-ROUUACIJSA-N 2 0 345.531 3.339 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638269971 461342477 /nfs/dbraw/zinc/34/24/77/461342477.db2.gz WBGURSPBQRHCCL-UHFFFAOYSA-N 2 0 345.531 3.238 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C)cn2)CC1 ZINC000641766044 461359842 /nfs/dbraw/zinc/35/98/42/461359842.db2.gz DZPRYNQMTOMORN-UHFFFAOYSA-N 2 0 338.499 3.212 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641775084 461365909 /nfs/dbraw/zinc/36/59/09/461365909.db2.gz KFKFISWNOBAMQI-WIYYLYMNSA-N 2 0 329.532 3.391 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]CCC3CCOCC3)cc2)C[C@H](C)O1 ZINC000638335029 461374640 /nfs/dbraw/zinc/37/46/40/461374640.db2.gz IGCGPFDUEXVJAZ-HDICACEKSA-N 2 0 346.515 3.202 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)c2)CC1 ZINC000662803432 461376891 /nfs/dbraw/zinc/37/68/91/461376891.db2.gz ZIKCMNLXJOUBHI-LJQANCHMSA-N 2 0 343.515 3.288 20 0 EGADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CC2 ZINC000655715922 461385338 /nfs/dbraw/zinc/38/53/38/461385338.db2.gz KJRMUKARERJIEA-HXUWFJFHSA-N 2 0 329.532 3.154 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638381026 461398689 /nfs/dbraw/zinc/39/86/89/461398689.db2.gz HRGJJZISEGGIOE-VQIMIIECSA-N 2 0 331.504 3.065 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655752585 461418599 /nfs/dbraw/zinc/41/85/99/461418599.db2.gz RARWUUNQZAVXRB-LJQANCHMSA-N 2 0 331.504 3.112 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC000638437650 461426905 /nfs/dbraw/zinc/42/69/05/461426905.db2.gz VQSMUBYLRWUFSA-UHFFFAOYSA-N 2 0 326.484 3.207 20 0 EGADRP Cc1ccc(-c2ncc(C[NH2+]CCOCC[NH+](C)C)s2)cc1C ZINC000655760049 461427632 /nfs/dbraw/zinc/42/76/32/461427632.db2.gz VORLMQVADDGPDI-UHFFFAOYSA-N 2 0 333.501 3.095 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC000638443364 461429986 /nfs/dbraw/zinc/42/99/86/461429986.db2.gz LFHHTIKEJCURNW-UHFFFAOYSA-N 2 0 334.504 3.189 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3coc(-c4ccccc4)n3)c2)CC1 ZINC000630960063 461440425 /nfs/dbraw/zinc/44/04/25/461440425.db2.gz BWDUCZQYZVVKHR-UHFFFAOYSA-N 2 0 349.438 3.101 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cccc(OC(F)F)c3)c2)CC1 ZINC000630961675 461444167 /nfs/dbraw/zinc/44/41/67/461444167.db2.gz RTHRBUSPTKQPCE-UHFFFAOYSA-N 2 0 348.397 3.047 20 0 EGADRP CC[N@H+](CCN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638479453 461448016 /nfs/dbraw/zinc/44/80/16/461448016.db2.gz MYWWEFKMCCMYJZ-RXVVDRJESA-N 2 0 327.516 3.428 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666111384 461456577 /nfs/dbraw/zinc/45/65/77/461456577.db2.gz IBBXDQJNONTGSJ-PWIZWCRZSA-N 2 0 348.918 3.165 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2nc3ccccc3o2)cc1 ZINC000638539555 461472872 /nfs/dbraw/zinc/47/28/72/461472872.db2.gz RIACXWFLFJOLHT-UHFFFAOYSA-N 2 0 339.439 3.101 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638567909 461488588 /nfs/dbraw/zinc/48/85/88/461488588.db2.gz SQSHUWFTXFGYJQ-FMKPAKJESA-N 2 0 337.508 3.122 20 0 EGADRP C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638567914 461490179 /nfs/dbraw/zinc/49/01/79/461490179.db2.gz SQSHUWFTXFGYJQ-IJEWVQPXSA-N 2 0 337.508 3.122 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638567487 461490291 /nfs/dbraw/zinc/49/02/91/461490291.db2.gz MWKAAIFQJLRVKQ-TZIWHRDSSA-N 2 0 327.516 3.286 20 0 EGADRP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[N@@H+](CC4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638583037 461494446 /nfs/dbraw/zinc/49/44/46/461494446.db2.gz WWQAGEHOFNEIPN-VWPQPMDRSA-N 2 0 339.527 3.428 20 0 EGADRP COCCc1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000631043486 461496239 /nfs/dbraw/zinc/49/62/39/461496239.db2.gz XXSYTCMHSKBHEZ-OAHLLOKOSA-N 2 0 325.522 3.076 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC000638594247 461498154 /nfs/dbraw/zinc/49/81/54/461498154.db2.gz DUNFZFKTQSFBNN-PXNSSMCTSA-N 2 0 343.515 3.405 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638608195 461504729 /nfs/dbraw/zinc/50/47/29/461504729.db2.gz BVBUTUIPHUXWDP-KRWDZBQOSA-N 2 0 338.923 3.486 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653108572 461505206 /nfs/dbraw/zinc/50/52/06/461505206.db2.gz AEAYUAKWXHEMCN-MSOLQXFVSA-N 2 0 343.515 3.067 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653113632 461507093 /nfs/dbraw/zinc/50/70/93/461507093.db2.gz JMDRHQWDLQKONO-GOSISDBHSA-N 2 0 329.488 3.391 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000659990936 461535047 /nfs/dbraw/zinc/53/50/47/461535047.db2.gz RVPFUYOTVRYXPU-ZVDOUQERSA-N 2 0 329.532 3.171 20 0 EGADRP CC[N@H+](CCCNC(=O)C[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653200370 461555739 /nfs/dbraw/zinc/55/57/39/461555739.db2.gz BWBSAUKPNKGGGO-IBGZPJMESA-N 2 0 331.504 3.237 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638781530 461576047 /nfs/dbraw/zinc/57/60/47/461576047.db2.gz VONJJEWYXMFWAL-MPSQCAORSA-N 2 0 339.527 3.427 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000653253322 461591641 /nfs/dbraw/zinc/59/16/41/461591641.db2.gz PLGWWVJYSUCJEJ-HZPDHXFCSA-N 2 0 347.528 3.331 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000647281193 461608220 /nfs/dbraw/zinc/60/82/20/461608220.db2.gz BKRCGYZNJDCXLT-FQEVSTJZSA-N 2 0 333.520 3.010 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](O)C(C)C ZINC000666446739 461631670 /nfs/dbraw/zinc/63/16/70/461631670.db2.gz JPVXRMHJMVMHOR-VQTJNVASSA-N 2 0 334.504 3.046 20 0 EGADRP CC(C)C[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000653347283 461642283 /nfs/dbraw/zinc/64/22/83/461642283.db2.gz ZHDYEDFWABENEZ-GSEOLPGOSA-N 2 0 345.531 3.386 20 0 EGADRP Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1C[NH+](C)C ZINC000656263299 461688558 /nfs/dbraw/zinc/68/85/58/461688558.db2.gz HLPGZIUYBWJGSJ-HXUWFJFHSA-N 2 0 331.504 3.112 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000643346720 461697596 /nfs/dbraw/zinc/69/75/96/461697596.db2.gz SKFWQFIMTZIFHD-AWEZNQCLSA-N 2 0 342.886 3.235 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000643375339 461711515 /nfs/dbraw/zinc/71/15/15/461711515.db2.gz BIYAAABBWJXWNG-UHFFFAOYSA-N 2 0 329.532 3.461 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000643457222 461732273 /nfs/dbraw/zinc/73/22/73/461732273.db2.gz HAQHCJQJWNMNIN-OXJNMPFZSA-N 2 0 335.455 3.137 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000647492134 461732710 /nfs/dbraw/zinc/73/27/10/461732710.db2.gz HQKHOEKDTXEVAE-AWEZNQCLSA-N 2 0 338.455 3.393 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455524 461732835 /nfs/dbraw/zinc/73/28/35/461732835.db2.gz OQHZKJAATXIZPI-JGGQBBKZSA-N 2 0 327.394 3.001 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000647492135 461733166 /nfs/dbraw/zinc/73/31/66/461733166.db2.gz HQKHOEKDTXEVAE-CQSZACIVSA-N 2 0 338.455 3.393 20 0 EGADRP COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000643457579 461733676 /nfs/dbraw/zinc/73/36/76/461733676.db2.gz OJTOSYJPHLEPKL-CQSZACIVSA-N 2 0 327.472 3.486 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2cc(-c3ccncc3)ccc2OC)CC[C@H]1[NH3+] ZINC000647497879 461737318 /nfs/dbraw/zinc/73/73/18/461737318.db2.gz YYDCYFSKKCOVMX-DNVCBOLYSA-N 2 0 325.456 3.316 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000639128771 461746045 /nfs/dbraw/zinc/74/60/45/461746045.db2.gz ZVUMDINVLMGYDD-QFBILLFUSA-N 2 0 334.479 3.287 20 0 EGADRP CC1([NH3+])CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000647530777 461748507 /nfs/dbraw/zinc/74/85/07/461748507.db2.gz FEHJAKVVTOIQIV-UHFFFAOYSA-N 2 0 338.377 3.204 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643521751 461752001 /nfs/dbraw/zinc/75/20/01/461752001.db2.gz BCAYCCZZDTYMCR-RDJZCZTQSA-N 2 0 332.492 3.353 20 0 EGADRP c1cc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647542744 461754537 /nfs/dbraw/zinc/75/45/37/461754537.db2.gz BHUBUWZHXWDSFW-WOJBJXKFSA-N 2 0 328.500 3.266 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2cccnc2)c(F)c1 ZINC000643534916 461755070 /nfs/dbraw/zinc/75/50/70/461755070.db2.gz FQFDKTCBJPVLPX-QZTJIDSGSA-N 2 0 329.394 3.181 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643539259 461758634 /nfs/dbraw/zinc/75/86/34/461758634.db2.gz SWCUFDDWOFFGEI-UHOFOFEASA-N 2 0 341.293 3.386 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647543727 461758644 /nfs/dbraw/zinc/75/86/44/461758644.db2.gz RMJCZYIJVSNBSN-HZPDHXFCSA-N 2 0 328.460 3.190 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000643545936 461759469 /nfs/dbraw/zinc/75/94/69/461759469.db2.gz FWVBPDGOGIKUOA-KBXCAEBGSA-N 2 0 342.487 3.296 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC[NH2+]1 ZINC000666687231 461760097 /nfs/dbraw/zinc/76/00/97/461760097.db2.gz GWHGLZPOIOJCPH-LMMKCTJWSA-N 2 0 344.503 3.051 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000647552308 461764260 /nfs/dbraw/zinc/76/42/60/461764260.db2.gz QLWWIUJOQXCTHB-CHWSQXEVSA-N 2 0 340.393 3.166 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000647551533 461765193 /nfs/dbraw/zinc/76/51/93/461765193.db2.gz TVVGWAHZCVBRKH-YYWXWVFPSA-N 2 0 346.862 3.429 20 0 EGADRP c1cc([C@@H]2OCCC[C@H]2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n[nH]1 ZINC000643819306 461808216 /nfs/dbraw/zinc/80/82/16/461808216.db2.gz GWWQIEWEHCUGLD-OXJNMPFZSA-N 2 0 346.519 3.264 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC1CCCC1 ZINC000647784291 461832812 /nfs/dbraw/zinc/83/28/12/461832812.db2.gz PPNUWDSXORBDJR-FGTMMUONSA-N 2 0 344.499 3.494 20 0 EGADRP Clc1ccccc1[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000647785693 461833030 /nfs/dbraw/zinc/83/30/30/461833030.db2.gz DBPOVYHGTPBETA-XLSPSMHOSA-N 2 0 347.934 3.455 20 0 EGADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786674 461834238 /nfs/dbraw/zinc/83/42/38/461834238.db2.gz VRWXRPKKWVDFEC-APIJFGDWSA-N 2 0 342.405 3.450 20 0 EGADRP CC1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000647786251 461834244 /nfs/dbraw/zinc/83/42/44/461834244.db2.gz LQOAHXSXKQVJFQ-DXBBTUNJSA-N 2 0 341.543 3.437 20 0 EGADRP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000647791716 461837011 /nfs/dbraw/zinc/83/70/11/461837011.db2.gz KZSJOBVNDRRAAG-CKEIUWERSA-N 2 0 335.879 3.036 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858108 461838907 /nfs/dbraw/zinc/83/89/07/461838907.db2.gz XRSOBDPFLXVBDG-OLZOCXBDSA-N 2 0 343.393 3.154 20 0 EGADRP Cn1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccc(Cl)cc21 ZINC000647795848 461839283 /nfs/dbraw/zinc/83/92/83/461839283.db2.gz YCUSSPXDHVAPDQ-YSVLISHTSA-N 2 0 331.891 3.352 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000669931700 461840698 /nfs/dbraw/zinc/84/06/98/461840698.db2.gz RCYCWOVVCDVURN-QFIPXVFZSA-N 2 0 349.522 3.488 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000643972926 461849155 /nfs/dbraw/zinc/84/91/55/461849155.db2.gz CBQBRDWKMDQRHG-HXUWFJFHSA-N 2 0 343.515 3.062 20 0 EGADRP COc1cc(C)c([C@@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000639334167 461866302 /nfs/dbraw/zinc/86/63/02/461866302.db2.gz ADNCGGCNFMYTAY-QZTJIDSGSA-N 2 0 334.504 3.416 20 0 EGADRP COc1ccccc1C[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000647879874 461868557 /nfs/dbraw/zinc/86/85/57/461868557.db2.gz RBYFOAAKHHQGMP-HXUWFJFHSA-N 2 0 346.515 3.456 20 0 EGADRP C[N@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647882673 461869748 /nfs/dbraw/zinc/86/97/48/461869748.db2.gz LPAGIJZNPBRUPW-INIZCTEOSA-N 2 0 344.478 3.470 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953801 461886354 /nfs/dbraw/zinc/88/63/54/461886354.db2.gz HYWACPSXQVQOBG-MAUKXSAKSA-N 2 0 329.488 3.259 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954365 461886365 /nfs/dbraw/zinc/88/63/65/461886365.db2.gz VLUFSRDUFXMVNQ-SFHVURJKSA-N 2 0 333.907 3.036 20 0 EGADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783631 461891846 /nfs/dbraw/zinc/89/18/46/461891846.db2.gz RNUILXGWENHWJL-AWEZNQCLSA-N 2 0 327.394 3.312 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784499 461893404 /nfs/dbraw/zinc/89/34/04/461893404.db2.gz DPCYRSDICMGTJO-INIZCTEOSA-N 2 0 336.549 3.201 20 0 EGADRP COc1cc2c(c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c1)O[C@H](C)C2 ZINC000656784721 461893558 /nfs/dbraw/zinc/89/35/58/461893558.db2.gz GFTSLRKOKUJGPB-WBVHZDCISA-N 2 0 344.499 3.230 20 0 EGADRP Cc1ccccc1-n1nccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784844 461893767 /nfs/dbraw/zinc/89/37/67/461893767.db2.gz CXYJVRKFXWYOGC-LJQANCHMSA-N 2 0 338.499 3.392 20 0 EGADRP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707772 461900751 /nfs/dbraw/zinc/90/07/51/461900751.db2.gz MVMGHJJLVSJCHL-ZOBUZTSGSA-N 2 0 337.533 3.060 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997077 461904703 /nfs/dbraw/zinc/90/47/03/461904703.db2.gz WCPNAEOHXLVOHP-CYBMUJFWSA-N 2 0 332.398 3.119 20 0 EGADRP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000650711189 461904901 /nfs/dbraw/zinc/90/49/01/461904901.db2.gz LESMPRUFSKZCFJ-GDBMZVCRSA-N 2 0 336.476 3.052 20 0 EGADRP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000650711192 461905293 /nfs/dbraw/zinc/90/52/93/461905293.db2.gz LESMPRUFSKZCFJ-ZBFHGGJFSA-N 2 0 336.476 3.052 20 0 EGADRP c1cc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc2)ccn1 ZINC000666998276 461905479 /nfs/dbraw/zinc/90/54/79/461905479.db2.gz KUKZNYJYWHCCKS-IBGZPJMESA-N 2 0 337.467 3.425 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000639389900 461907827 /nfs/dbraw/zinc/90/78/27/461907827.db2.gz TTWVAGXJZVIJAF-ZDUSSCGKSA-N 2 0 338.411 3.248 20 0 EGADRP Cc1nsc(C)c1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000647962225 461910990 /nfs/dbraw/zinc/91/09/90/461910990.db2.gz SDXXZDJLSOVDKQ-ZIAGYGMSSA-N 2 0 337.533 3.081 20 0 EGADRP CCOc1c(Cl)cc(C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000650721281 461912276 /nfs/dbraw/zinc/91/22/76/461912276.db2.gz ZQAWCHXWZMMITF-UHFFFAOYSA-N 2 0 326.868 3.308 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974959 461916848 /nfs/dbraw/zinc/91/68/48/461916848.db2.gz DIMQDSUBFSZPDM-HOTGVXAUSA-N 2 0 349.906 3.299 20 0 EGADRP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975665 461916974 /nfs/dbraw/zinc/91/69/74/461916974.db2.gz DIZWJXYAXZLHIF-CVEARBPZSA-N 2 0 344.434 3.087 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975428 461917153 /nfs/dbraw/zinc/91/71/53/461917153.db2.gz AFWQPZAKEKZRSG-OKZBNKHCSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977679 461918068 /nfs/dbraw/zinc/91/80/68/461918068.db2.gz FZPHYBMPRNUUSF-IRXDYDNUSA-N 2 0 347.478 3.174 20 0 EGADRP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976622 461919336 /nfs/dbraw/zinc/91/93/36/461919336.db2.gz RDZHNEWGJMXIHJ-JKSUJKDBSA-N 2 0 347.528 3.059 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976181 461919631 /nfs/dbraw/zinc/91/96/31/461919631.db2.gz LGJDQACPZHTQQK-PMPSAXMXSA-N 2 0 349.906 3.379 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650751848 461933466 /nfs/dbraw/zinc/93/34/66/461933466.db2.gz CLPVYZNLZGQQHU-HRAATJIYSA-N 2 0 341.474 3.285 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1cnc(-c3cccs3)s1)CCO2 ZINC000648071734 461967808 /nfs/dbraw/zinc/96/78/08/461967808.db2.gz RDHXSPVPBWCQPI-UHFFFAOYSA-N 2 0 349.525 3.168 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000644521952 461967979 /nfs/dbraw/zinc/96/79/79/461967979.db2.gz JGTKUXBYBACODY-INIZCTEOSA-N 2 0 335.467 3.399 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000644532388 461974150 /nfs/dbraw/zinc/97/41/50/461974150.db2.gz CWWKTUAPZKKLHQ-IBGZPJMESA-N 2 0 344.524 3.153 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000644562872 461985989 /nfs/dbraw/zinc/98/59/89/461985989.db2.gz FXGQGLXESPVDLM-HRAATJIYSA-N 2 0 326.484 3.063 20 0 EGADRP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+]CC2)cnc1N1CCCC[C@@H]1C ZINC000667345704 462050254 /nfs/dbraw/zinc/05/02/54/462050254.db2.gz OJAQRRSEPRFMRR-JKSUJKDBSA-N 2 0 345.491 3.032 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657343363 462059915 /nfs/dbraw/zinc/05/99/15/462059915.db2.gz ZMWVDEITHJWQTE-OAHLLOKOSA-N 2 0 344.890 3.407 20 0 EGADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(C)c1 ZINC000657347589 462062122 /nfs/dbraw/zinc/06/21/22/462062122.db2.gz CGOZZGULZIGXMO-UHFFFAOYSA-N 2 0 347.547 3.147 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cnc2n1CCC2 ZINC000657399224 462098726 /nfs/dbraw/zinc/09/87/26/462098726.db2.gz QYVMQXIXOFOZMP-IAGOWNOFSA-N 3 0 338.499 3.076 20 0 EGADRP Cn1cc(CC[NH2+]Cc2cnc3n2CCC3)c2ccc(Cl)cc21 ZINC000657444236 462127711 /nfs/dbraw/zinc/12/77/11/462127711.db2.gz WSMKWUKYBJNFFL-UHFFFAOYSA-N 2 0 328.847 3.307 20 0 EGADRP Cc1ncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C ZINC000667589812 462162790 /nfs/dbraw/zinc/16/27/90/462162790.db2.gz DCXLCEFJDUMSAJ-UHFFFAOYSA-N 2 0 326.488 3.073 20 0 EGADRP CN(C)c1ccccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611657 462202844 /nfs/dbraw/zinc/20/28/44/462202844.db2.gz BJBGZVXCABNEKL-UHFFFAOYSA-N 2 0 338.499 3.149 20 0 EGADRP COCc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657613495 462203438 /nfs/dbraw/zinc/20/34/38/462203438.db2.gz LPCHKTRTMSTHQM-UHFFFAOYSA-N 2 0 339.483 3.230 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000657613039 462203505 /nfs/dbraw/zinc/20/35/05/462203505.db2.gz VBBPYIJSFXNYGF-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000648736161 462252267 /nfs/dbraw/zinc/25/22/67/462252267.db2.gz KOOKLXSSBFYNEL-SQGPQFPESA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CC[N@@H+]1C ZINC000648738081 462254612 /nfs/dbraw/zinc/25/46/12/462254612.db2.gz ZMXMHIIGTXNJRF-VQIMIIECSA-N 2 0 329.488 3.197 20 0 EGADRP CCO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000648741030 462255929 /nfs/dbraw/zinc/25/59/29/462255929.db2.gz KZZVDRYYAJXTFE-RXVVDRJESA-N 2 0 346.515 3.408 20 0 EGADRP c1sc(-c2ccccn2)nc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657811904 462277602 /nfs/dbraw/zinc/27/76/02/462277602.db2.gz JPPCEYOBIVYITD-UHFFFAOYSA-N 2 0 342.512 3.417 20 0 EGADRP Cn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(-c2cccs2)n1 ZINC000657813643 462279756 /nfs/dbraw/zinc/27/97/56/462279756.db2.gz VZCNFZPXUIQZES-UHFFFAOYSA-N 2 0 344.528 3.360 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000667854299 462295148 /nfs/dbraw/zinc/29/51/48/462295148.db2.gz LSMZFDZBQHVAOD-UHFFFAOYSA-N 2 0 344.503 3.169 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000654588023 462298320 /nfs/dbraw/zinc/29/83/20/462298320.db2.gz KUIXGIOKDOKBAP-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657879502 462305858 /nfs/dbraw/zinc/30/58/58/462305858.db2.gz OKRFAUKLMGMHIY-RBUKOAKNSA-N 2 0 349.950 3.419 20 0 EGADRP CCOC1CCC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000657901038 462312575 /nfs/dbraw/zinc/31/25/75/462312575.db2.gz QKBAXPHJXUXPGZ-UHFFFAOYSA-N 2 0 346.515 3.081 20 0 EGADRP C[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000651727931 462317179 /nfs/dbraw/zinc/31/71/79/462317179.db2.gz FYMKIVYOTBEJNI-FUHWJXTLSA-N 2 0 337.552 3.172 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc4c3CCC4)CC2)CC1 ZINC000651761591 462328913 /nfs/dbraw/zinc/32/89/13/462328913.db2.gz XTWJAQCSUUMIRX-UHFFFAOYSA-N 2 0 341.543 3.025 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCC1 ZINC000665246523 462366931 /nfs/dbraw/zinc/36/69/31/462366931.db2.gz HQQVVYPJIXDGGM-AQNXPRMDSA-N 2 0 327.516 3.291 20 0 EGADRP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC[NH2+]2)cc1 ZINC000665268313 462377266 /nfs/dbraw/zinc/37/72/66/462377266.db2.gz MDZSZUUCUBJEPX-ZJOUEHCJSA-N 2 0 327.516 3.476 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649288190 462467745 /nfs/dbraw/zinc/46/77/45/462467745.db2.gz AXWDEFNRZVVENO-UHFFFAOYSA-N 2 0 331.504 3.052 20 0 EGADRP C(=C\C[N@@H+]1CC[C@H](c2cccnc2)C1)\C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645983215 462487581 /nfs/dbraw/zinc/48/75/81/462487581.db2.gz BBBFPWDJYZDHMS-AUSJAXNVSA-N 2 0 348.494 3.312 20 0 EGADRP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000649413599 462503126 /nfs/dbraw/zinc/50/31/26/462503126.db2.gz PLFZVJYNWCLTRB-DLBZAZTESA-N 2 0 326.488 3.406 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000154405702 533903929 /nfs/dbraw/zinc/90/39/29/533903929.db2.gz QISHCKYRSSTPCW-KSSFIOAISA-N 2 0 334.485 3.073 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000181518222 527987280 /nfs/dbraw/zinc/98/72/80/527987280.db2.gz YJKXLZIEIXTJKC-ZWKOTPCHSA-N 2 0 341.503 3.286 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000131327662 528118922 /nfs/dbraw/zinc/11/89/22/528118922.db2.gz YPODQHOSEDTKEO-IRXDYDNUSA-N 2 0 329.492 3.428 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000173793974 528184566 /nfs/dbraw/zinc/18/45/66/528184566.db2.gz HIRHQLQTMNZQNR-MRXNPFEDSA-N 2 0 349.544 3.401 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000154526791 529143378 /nfs/dbraw/zinc/14/33/78/529143378.db2.gz MHYAQFYCADPRHD-HXUWFJFHSA-N 2 0 347.572 3.024 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000154453895 529143831 /nfs/dbraw/zinc/14/38/31/529143831.db2.gz PRMWGPPGLUXEMJ-UWJYYQICSA-N 2 0 347.522 3.456 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000154250426 529145046 /nfs/dbraw/zinc/14/50/46/529145046.db2.gz FDFJTNHSJHGQEM-KRWDZBQOSA-N 2 0 329.488 3.419 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181492699 529145331 /nfs/dbraw/zinc/14/53/31/529145331.db2.gz OAFYSOOQINPGRP-MRXNPFEDSA-N 2 0 345.487 3.120 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000246885302 535718652 /nfs/dbraw/zinc/71/86/52/535718652.db2.gz DIJBRPYNQOVSRB-CEXWTWQISA-N 2 0 347.547 3.050 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000089510728 546645017 /nfs/dbraw/zinc/64/50/17/546645017.db2.gz JTKVQJSLXICHLE-QGZVFWFLSA-N 2 0 343.515 3.133 20 0 EGADRP Cc1cc(C[C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)n(-c2ccccc2)n1 ZINC000090602280 546659163 /nfs/dbraw/zinc/65/91/63/546659163.db2.gz OQJSGGSMODRJCQ-SJLPKXTDSA-N 2 0 340.515 3.432 20 0 EGADRP COC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093338139 546685035 /nfs/dbraw/zinc/68/50/35/546685035.db2.gz LFJYMVWOFKZNRQ-LJQANCHMSA-N 2 0 332.488 3.020 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000157484562 546919853 /nfs/dbraw/zinc/91/98/53/546919853.db2.gz QPYCEMLKYNSDRL-UONOGXRCSA-N 2 0 336.476 3.093 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000163990079 546977197 /nfs/dbraw/zinc/97/71/97/546977197.db2.gz RYXDPYXOLHCVLI-MRXNPFEDSA-N 2 0 340.515 3.368 20 0 EGADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000181060704 547064309 /nfs/dbraw/zinc/06/43/09/547064309.db2.gz POHGGKOTDCFGJO-INIZCTEOSA-N 2 0 342.487 3.086 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000324121077 547471631 /nfs/dbraw/zinc/47/16/31/547471631.db2.gz GSOXQQVVWGBPOL-PDRSHUBSSA-N 2 0 333.564 3.207 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000327305764 547479460 /nfs/dbraw/zinc/47/94/60/547479460.db2.gz OJYBBXWVZZFTHA-SFHVURJKSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000339238799 547571621 /nfs/dbraw/zinc/57/16/21/547571621.db2.gz WMMUAQCSSBUTIQ-GOSISDBHSA-N 2 0 343.515 3.032 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348100153 547626664 /nfs/dbraw/zinc/62/66/64/547626664.db2.gz FBJKPTSLZAIIML-LEWJYISDSA-N 2 0 327.516 3.102 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000353931835 547699575 /nfs/dbraw/zinc/69/95/75/547699575.db2.gz KPDZDZLWITVGQL-QQFBHYJXSA-N 2 0 336.442 3.446 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000370735919 547790993 /nfs/dbraw/zinc/79/09/93/547790993.db2.gz DDQRUJOJPHCENI-GOSISDBHSA-N 2 0 336.907 3.051 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1 ZINC000414302152 547855828 /nfs/dbraw/zinc/85/58/28/547855828.db2.gz NYCJEPQVORCDJN-ORQFMDKSSA-N 2 0 330.463 3.168 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414927301 547861747 /nfs/dbraw/zinc/86/17/47/547861747.db2.gz OTWZUMWTDHPIFX-LSDHHAIUSA-N 2 0 334.414 3.127 20 0 EGADRP Brc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c2ncccc12 ZINC000414905694 547861859 /nfs/dbraw/zinc/86/18/59/547861859.db2.gz ORFBSLSOJFZQTO-CYBMUJFWSA-N 2 0 334.261 3.229 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474461619 547954562 /nfs/dbraw/zinc/95/45/62/547954562.db2.gz PUHHWBNDXANMQX-JUVOFCAFSA-N 2 0 349.485 3.359 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2scnc2C2CC2)c1 ZINC000486968476 547970234 /nfs/dbraw/zinc/97/02/34/547970234.db2.gz OQMLXIPAVOSUON-UHFFFAOYSA-N 2 0 331.485 3.251 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(O)cc3)cc2)CC1 ZINC000671313032 548277785 /nfs/dbraw/zinc/27/77/85/548277785.db2.gz JTPFAAFBJVFEKY-UHFFFAOYSA-N 2 0 326.440 3.155 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744015 548350404 /nfs/dbraw/zinc/35/04/04/548350404.db2.gz QDFVPHBTFCAFQT-KFWWJZLASA-N 2 0 347.459 3.073 20 0 EGADRP C[NH+](C/C=C/C[N@@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000674005868 548670238 /nfs/dbraw/zinc/67/02/38/548670238.db2.gz QYKYLAXOKPXTMC-ONEGZZNKSA-N 2 0 326.440 3.218 20 0 EGADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1(C)C ZINC000674677557 548780910 /nfs/dbraw/zinc/78/09/10/548780910.db2.gz LRNPLPAZLKETEA-MOPGFXCFSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000675738273 548971064 /nfs/dbraw/zinc/97/10/64/548971064.db2.gz OQGOYXXENQVLMG-KSSFIOAISA-N 2 0 346.906 3.483 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1F ZINC000675743151 548972200 /nfs/dbraw/zinc/97/22/00/548972200.db2.gz ZYLMSJLDPLIRAF-CQSZACIVSA-N 2 0 339.524 3.224 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000675747484 548973791 /nfs/dbraw/zinc/97/37/91/548973791.db2.gz BOWBEKJOAPIEBI-QGZVFWFLSA-N 2 0 334.504 3.060 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC000675784219 548980692 /nfs/dbraw/zinc/98/06/92/548980692.db2.gz WNRFTNKCZYIWIZ-ZRGWGRIASA-N 2 0 336.907 3.286 20 0 EGADRP CCCc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2[nH+]1 ZINC000676877256 549170672 /nfs/dbraw/zinc/17/06/72/549170672.db2.gz WWBKSQLFNUNUNO-CTNGQTDRSA-N 2 0 339.483 3.223 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000677240101 549235315 /nfs/dbraw/zinc/23/53/15/549235315.db2.gz SYULIDBEBVXSKH-RXRQOCSWSA-N 2 0 341.543 3.359 20 0 EGADRP COc1cc(C)nc(CN2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000677438205 549270991 /nfs/dbraw/zinc/27/09/91/549270991.db2.gz OFMYGOBBJOKYGG-UHFFFAOYSA-N 2 0 339.483 3.415 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCOc2ccccc2F)cc1 ZINC000678128405 549404292 /nfs/dbraw/zinc/40/42/92/549404292.db2.gz SAWGMSFSXFPYFB-UHFFFAOYSA-N 2 0 346.446 3.277 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678133266 549405102 /nfs/dbraw/zinc/40/51/02/549405102.db2.gz ZLDSEZUMDIPLGM-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679143771 549643876 /nfs/dbraw/zinc/64/38/76/549643876.db2.gz ZTEWSSRLFXMCBL-CRAIPNDOSA-N 2 0 333.545 3.438 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000679188827 549653121 /nfs/dbraw/zinc/65/31/21/549653121.db2.gz CAPBPBOJQQNSKY-VQTJNVASSA-N 2 0 339.483 3.141 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326568 549688892 /nfs/dbraw/zinc/68/88/92/549688892.db2.gz YEDXQAFVJVMBPN-WNKNEZEQSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(CO)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679625913 549742581 /nfs/dbraw/zinc/74/25/81/549742581.db2.gz HJSOYRRAMTYSST-AVRDEDQJSA-N 2 0 338.495 3.222 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C1CC1)C1CCCCC1)c1ccccc1 ZINC000681208501 549968258 /nfs/dbraw/zinc/96/82/58/549968258.db2.gz AQDQBHJWFAHXFH-HXUWFJFHSA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000683341312 550220119 /nfs/dbraw/zinc/22/01/19/550220119.db2.gz KKZJYNYLUWNJOL-UHFFFAOYSA-N 2 0 348.293 3.248 20 0 EGADRP c1c2ccccc2[nH]c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000684023492 550283312 /nfs/dbraw/zinc/28/33/12/550283312.db2.gz WZQYJFXOGBSUBK-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C2CC2)O1 ZINC000684411149 550326588 /nfs/dbraw/zinc/32/65/88/550326588.db2.gz BBLSVHFXPXWYMC-LAUBAEHRSA-N 2 0 344.499 3.161 20 0 EGADRP CCOC1CC2(C1)CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000685444922 550417188 /nfs/dbraw/zinc/41/71/88/550417188.db2.gz YOPIVWWCSFJLOQ-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000685453198 550417891 /nfs/dbraw/zinc/41/78/91/550417891.db2.gz SLQIWGKSJYQAPS-KRWDZBQOSA-N 2 0 339.568 3.229 20 0 EGADRP CCCOc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457222 550418818 /nfs/dbraw/zinc/41/88/18/550418818.db2.gz LYRSJKGURPWKAO-FQEVSTJZSA-N 2 0 345.531 3.076 20 0 EGADRP CCCc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457896 550418853 /nfs/dbraw/zinc/41/88/53/550418853.db2.gz RUOSROMXOWUJPJ-NRFANRHFSA-N 2 0 329.532 3.239 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OCC ZINC000685470764 550421298 /nfs/dbraw/zinc/42/12/98/550421298.db2.gz QAFHBFSFBUBAON-ZWKOTPCHSA-N 2 0 332.488 3.400 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000727932795 574705188 /nfs/dbraw/zinc/70/51/88/574705188.db2.gz BSGVUUUZUKMVOQ-MRXNPFEDSA-N 2 0 330.394 3.012 20 0 EGADRP CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000728571790 574759195 /nfs/dbraw/zinc/75/91/95/574759195.db2.gz KQBNRGSGXCGMAN-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CCCC[NH+]1CCCC1)c1ccccc1 ZINC000731629334 575193852 /nfs/dbraw/zinc/19/38/52/575193852.db2.gz DHZXCLOYXABBGE-GOSISDBHSA-N 2 0 345.531 3.498 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000731868856 575216579 /nfs/dbraw/zinc/21/65/79/575216579.db2.gz ACICNAXAWFIIQP-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP C=Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000683704747 576186148 /nfs/dbraw/zinc/18/61/48/576186148.db2.gz FEEDTAGCYKOLED-QHAWAJNXSA-N 2 0 336.483 3.374 20 0 EGADRP C=Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000683704743 576186317 /nfs/dbraw/zinc/18/63/17/576186317.db2.gz FEEDTAGCYKOLED-PWRODBHTSA-N 2 0 336.483 3.374 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc3ncccc23)C[C@@H](C)O1 ZINC000873057311 1297250587 /nfs/dbraw/zinc/25/05/87/1297250587.db2.gz ZBLGPEBSOVKKFT-IAGOWNOFSA-N 2 0 327.472 3.214 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000877969269 1299675731 /nfs/dbraw/zinc/67/57/31/1299675731.db2.gz ZSZZTLNAJWJJGK-IBGZPJMESA-N 2 0 338.536 3.016 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000065996804 1292103944 /nfs/dbraw/zinc/10/39/44/1292103944.db2.gz RCEZPIQYKJUEKZ-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000073023720 1292302649 /nfs/dbraw/zinc/30/26/49/1292302649.db2.gz ILHWWKUXGQUSGX-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccco2)c1)C1CCOCC1 ZINC000076399903 1292428161 /nfs/dbraw/zinc/42/81/61/1292428161.db2.gz PZBHBJJGGKVQNV-UHFFFAOYSA-N 2 0 344.455 3.059 20 0 EGADRP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000079475517 1292560933 /nfs/dbraw/zinc/56/09/33/1292560933.db2.gz IDYBROXZSDNHBJ-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1cccs1 ZINC000830384011 1292715251 /nfs/dbraw/zinc/71/52/51/1292715251.db2.gz ZDIFYBSYVGMXIO-SJLPKXTDSA-N 2 0 343.496 3.020 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000089553969 1292771771 /nfs/dbraw/zinc/77/17/71/1292771771.db2.gz YZAXJGMAIOIEMG-LRDDRELGSA-N 2 0 330.394 3.059 20 0 EGADRP CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000089632413 1292773313 /nfs/dbraw/zinc/77/33/13/1292773313.db2.gz QAQYGBJAKCTHLD-CRAIPNDOSA-N 2 0 345.487 3.196 20 0 EGADRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000089632411 1292773516 /nfs/dbraw/zinc/77/35/16/1292773516.db2.gz QAQYGBJAKCTHLD-MAUKXSAKSA-N 2 0 345.487 3.196 20 0 EGADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)C[NH+]1CCCCC1 ZINC000093063368 1292906088 /nfs/dbraw/zinc/90/60/88/1292906088.db2.gz TVXUWEABQNOHSJ-KRWDZBQOSA-N 2 0 326.488 3.299 20 0 EGADRP CCOc1cc(C[NH2+]CC2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000105459342 1293038633 /nfs/dbraw/zinc/03/86/33/1293038633.db2.gz QFGXTTKZSFWBKF-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105463011 1293039871 /nfs/dbraw/zinc/03/98/71/1293039871.db2.gz RSKWSEOYIWOFHL-INIZCTEOSA-N 2 0 327.447 3.428 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000112710436 1293132237 /nfs/dbraw/zinc/13/22/37/1293132237.db2.gz AMQNWCPBKILDHM-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)cc1C[NH+]1CCCCC1 ZINC000834905849 1293172271 /nfs/dbraw/zinc/17/22/71/1293172271.db2.gz LWBLJRKILGRCKW-UZLBHIALSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C[NH+]1CCCCC1 ZINC000121112731 1293356258 /nfs/dbraw/zinc/35/62/58/1293356258.db2.gz JSGGHGBBATYRKW-GHTZIAJQSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000124079766 1293465969 /nfs/dbraw/zinc/46/59/69/1293465969.db2.gz IBNFKHUBVKWQSP-IKGGRYGDSA-N 2 0 339.524 3.286 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000126058863 1293523857 /nfs/dbraw/zinc/52/38/57/1293523857.db2.gz OBXAIOUHTIONPF-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP CC(C)Oc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000126817019 1293544966 /nfs/dbraw/zinc/54/49/66/1293544966.db2.gz FTBIMNGCYKIYGO-QZTJIDSGSA-N 2 0 334.504 3.453 20 0 EGADRP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000128098500 1293582725 /nfs/dbraw/zinc/58/27/25/1293582725.db2.gz BIYKDTKSRAATLT-BHUNQDJPSA-N 2 0 337.508 3.039 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000131587427 1293694885 /nfs/dbraw/zinc/69/48/85/1293694885.db2.gz OAYWMUFGQVQUIP-SJORKVTESA-N 2 0 341.540 3.342 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000151595843 1293932410 /nfs/dbraw/zinc/93/24/10/1293932410.db2.gz DGMLMOGIKZTVEV-XLIONFOSSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000153426715 1294012943 /nfs/dbraw/zinc/01/29/43/1294012943.db2.gz YWTXGKJZFJJBNL-APWZRJJASA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)C1 ZINC000155443468 1294097963 /nfs/dbraw/zinc/09/79/63/1294097963.db2.gz QNLMGJXWALFZBX-HDICACEKSA-N 2 0 345.531 3.300 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CCCCC[NH3+])c2ccccc2)CC1 ZINC000155483953 1294100549 /nfs/dbraw/zinc/10/05/49/1294100549.db2.gz RVCFVZVFTMPPTF-LJQANCHMSA-N 2 0 331.504 3.095 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000156255380 1294134510 /nfs/dbraw/zinc/13/45/10/1294134510.db2.gz ONVZIRFBIGDCCW-SFHVURJKSA-N 2 0 347.503 3.237 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000161658271 1294297669 /nfs/dbraw/zinc/29/76/69/1294297669.db2.gz VXKZQFCYLDFYBA-UHFFFAOYSA-N 2 0 346.475 3.028 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166417535 1294362620 /nfs/dbraw/zinc/36/26/20/1294362620.db2.gz SHSHEBQEJPFTNA-VQTJNVASSA-N 2 0 343.515 3.196 20 0 EGADRP Clc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n2cccn2)cc1 ZINC000166801345 1294364607 /nfs/dbraw/zinc/36/46/07/1294364607.db2.gz MVCFNUKFJXARPH-QRVBRYPASA-N 2 0 344.890 3.342 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962078 1294533597 /nfs/dbraw/zinc/53/35/97/1294533597.db2.gz IASWOSXRMAXHBF-AZUAARDMSA-N 2 0 343.515 3.154 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)C)cc1C[NH+]1CCCCC1 ZINC000182976995 1295088695 /nfs/dbraw/zinc/08/86/95/1295088695.db2.gz MASLJVOLUMCDHH-APWZRJJASA-N 2 0 334.504 3.349 20 0 EGADRP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000870887053 1296130603 /nfs/dbraw/zinc/13/06/03/1296130603.db2.gz YFISVYVEQBNALD-IRJFHVNHSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870949513 1296149152 /nfs/dbraw/zinc/14/91/52/1296149152.db2.gz HNNVRHDLMOFVKO-WUOIFLIFSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000236720162 1296199579 /nfs/dbraw/zinc/19/95/79/1296199579.db2.gz YRKXEHBATFLTCE-UHFFFAOYSA-N 2 0 338.499 3.247 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000237605959 1296251482 /nfs/dbraw/zinc/25/14/82/1296251482.db2.gz WICBXIIVEQCSKT-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCCCCC3)c2)C1 ZINC000237915135 1296271578 /nfs/dbraw/zinc/27/15/78/1296271578.db2.gz IRQOVZAPFGXVPJ-LJQANCHMSA-N 2 0 343.515 3.196 20 0 EGADRP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871886354 1296595638 /nfs/dbraw/zinc/59/56/38/1296595638.db2.gz JDLBQJRHFLXRGA-LJQANCHMSA-N 2 0 331.504 3.200 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000871912923 1296606517 /nfs/dbraw/zinc/60/65/17/1296606517.db2.gz ZTEFPCJGWQDORN-HXUWFJFHSA-N 2 0 343.515 3.106 20 0 EGADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000261981811 1296612258 /nfs/dbraw/zinc/61/22/58/1296612258.db2.gz JGRCDWKNZONJSB-UHFFFAOYSA-N 2 0 339.277 3.033 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000261966796 1296613310 /nfs/dbraw/zinc/61/33/10/1296613310.db2.gz PODKDOPFAZTSFY-LLVKDONJSA-N 2 0 344.286 3.381 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)cc1C[NH+]1CCCCC1 ZINC000872127032 1296751206 /nfs/dbraw/zinc/75/12/06/1296751206.db2.gz SBLOVBZXJCJVAX-GPMSIDNRSA-N 2 0 332.488 3.103 20 0 EGADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2nc(-c3ccco3)no2)C1)C1CCCC1 ZINC000872156903 1296774877 /nfs/dbraw/zinc/77/48/77/1296774877.db2.gz MGWVDCMGGKVEDM-ZBFHGGJFSA-N 2 0 344.459 3.449 20 0 EGADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000302117862 1296799536 /nfs/dbraw/zinc/79/95/36/1296799536.db2.gz SLFLKUXXVFPRGB-GPMSIDNRSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000872279853 1296888379 /nfs/dbraw/zinc/88/83/79/1296888379.db2.gz LBMSRKFYOIDGCP-MOPGFXCFSA-N 2 0 331.504 3.051 20 0 EGADRP CC(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000305164240 1296988579 /nfs/dbraw/zinc/98/85/79/1296988579.db2.gz SBDYALWIUHSUMW-NHCUHLMSSA-N 2 0 346.515 3.331 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401853 1297068685 /nfs/dbraw/zinc/06/86/85/1297068685.db2.gz XIMKFXSBURFKHB-XUVXKRRUSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[C@H](n2cncn2)C1 ZINC000340186402 1297310676 /nfs/dbraw/zinc/31/06/76/1297310676.db2.gz QYRAOQKIHLTFJF-AKHDSKFASA-N 2 0 333.524 3.252 20 0 EGADRP CCc1ccccc1NC(=O)CN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200907 1297345525 /nfs/dbraw/zinc/34/55/25/1297345525.db2.gz NIBSGSDRNUKUPH-UHFFFAOYSA-N 2 0 343.496 3.027 20 0 EGADRP COc1ccc(CCC[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873203412 1297346904 /nfs/dbraw/zinc/34/69/04/1297346904.db2.gz CTDPWZZNNZBVIC-UHFFFAOYSA-N 2 0 330.497 3.467 20 0 EGADRP C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204318 1297349442 /nfs/dbraw/zinc/34/94/42/1297349442.db2.gz CVCZREPBZSEWSF-KDOFPFPSSA-N 2 0 328.481 3.356 20 0 EGADRP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H](O)c1ccc(C)cc1 ZINC000873208436 1297351896 /nfs/dbraw/zinc/35/18/96/1297351896.db2.gz WEBBMEPXNGNZAD-SFHVURJKSA-N 2 0 330.497 3.258 20 0 EGADRP COc1cc(C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CC2)ccc1O ZINC000873208547 1297354170 /nfs/dbraw/zinc/35/41/70/1297354170.db2.gz QTDGIIZDVMQKIQ-UHFFFAOYSA-N 2 0 344.480 3.273 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCCCOc2ccccc2)C[C@@H]1C(F)(F)F ZINC000873227151 1297367883 /nfs/dbraw/zinc/36/78/83/1297367883.db2.gz CJYJLHWGBXBXSF-HOCLYGCPSA-N 2 0 330.394 3.305 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc2ccc(Cl)cc2n1C ZINC000873262809 1297397352 /nfs/dbraw/zinc/39/73/52/1297397352.db2.gz BREQCIVCHWIGOG-VIRABCJISA-N 2 0 332.879 3.408 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(N)cc(F)c1 ZINC000873287426 1297409052 /nfs/dbraw/zinc/40/90/52/1297409052.db2.gz DWODSRKVVNEFCS-YWZLYKJASA-N 2 0 327.447 3.408 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000873289281 1297410890 /nfs/dbraw/zinc/41/08/90/1297410890.db2.gz GJFWRPHBZKUFBF-OCCSQVGLSA-N 2 0 326.843 3.288 20 0 EGADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290224 1297412953 /nfs/dbraw/zinc/41/29/53/1297412953.db2.gz BSHXFMRYFATTCX-FHWLQOOXSA-N 2 0 332.463 3.210 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000390663545 1297631756 /nfs/dbraw/zinc/63/17/56/1297631756.db2.gz QKRQEYZERSFQJU-FQEVSTJZSA-N 2 0 329.532 3.219 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000391872009 1297648233 /nfs/dbraw/zinc/64/82/33/1297648233.db2.gz UVIFOYUFBVJKTR-PVAVHDDUSA-N 2 0 342.405 3.155 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399077355 1297723838 /nfs/dbraw/zinc/72/38/38/1297723838.db2.gz OKOAPFZUKYHZOT-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400432569 1297730366 /nfs/dbraw/zinc/73/03/66/1297730366.db2.gz LOJWQFYNMSQGHD-HNNXBMFYSA-N 2 0 341.540 3.199 20 0 EGADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000444791231 1297861631 /nfs/dbraw/zinc/86/16/31/1297861631.db2.gz KJDPJHRVKZVEDM-MRXNPFEDSA-N 2 0 349.438 3.382 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCN(C[C@@H]4CCC[NH2+]4)CC3)CC2)cc1 ZINC000691920299 1298139251 /nfs/dbraw/zinc/13/92/51/1298139251.db2.gz YNVNMQIKABVFSQ-FQEVSTJZSA-N 2 0 327.516 3.117 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000693029470 1298146614 /nfs/dbraw/zinc/14/66/14/1298146614.db2.gz AAWNIIDUKTURCJ-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700802424 1298179577 /nfs/dbraw/zinc/17/95/77/1298179577.db2.gz IWGRHKGUANXJBL-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000711483802 1298262504 /nfs/dbraw/zinc/26/25/04/1298262504.db2.gz IRTKSJXXZUHCNO-FZNQNYSPSA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000713058170 1298268188 /nfs/dbraw/zinc/26/81/88/1298268188.db2.gz KQDKGKTYRAWMAG-MJGOQNOKSA-N 2 0 345.531 3.119 20 0 EGADRP OCc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000714966773 1298275442 /nfs/dbraw/zinc/27/54/42/1298275442.db2.gz LYTLDSWVPHBBAQ-GHTZIAJQSA-N 2 0 337.467 3.065 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000715559602 1298280642 /nfs/dbraw/zinc/28/06/42/1298280642.db2.gz UQZPZJZPHRCFNQ-VVLHAWIVSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000724026655 1298343401 /nfs/dbraw/zinc/34/34/01/1298343401.db2.gz HETWHKCNEHFRMK-IKGGRYGDSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)[NH+]1CCC(N(C)Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000749393872 1299206890 /nfs/dbraw/zinc/20/68/90/1299206890.db2.gz LSZAQBDQJSWTEW-UHFFFAOYSA-N 2 0 343.515 3.227 20 0 EGADRP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1)C1CCCC1 ZINC000877445300 1299305612 /nfs/dbraw/zinc/30/56/12/1299305612.db2.gz SQJIXAVJCFKKQN-YWZLYKJASA-N 2 0 341.499 3.050 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)cc1 ZINC000751012515 1299497394 /nfs/dbraw/zinc/49/73/94/1299497394.db2.gz VNDBNLPDPDWJSJ-GOSISDBHSA-N 2 0 348.560 3.040 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000751069972 1299506311 /nfs/dbraw/zinc/50/63/11/1299506311.db2.gz LQJYEDWORDTUNE-QHIRMHHVSA-N 2 0 335.536 3.161 20 0 EGADRP CCc1oc2ccccc2c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747719 1299526012 /nfs/dbraw/zinc/52/60/12/1299526012.db2.gz ZJEDNGCYODMOMX-UHFFFAOYSA-N 2 0 341.499 3.207 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CS1 ZINC000754124909 1300091656 /nfs/dbraw/zinc/09/16/56/1300091656.db2.gz UNEIDOFBVCHOSW-BBWFWOEESA-N 2 0 326.550 3.140 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccnc(N(C)C)c2)CC1 ZINC000754270799 1300112857 /nfs/dbraw/zinc/11/28/57/1300112857.db2.gz LQUPLJORLPAPRR-UHFFFAOYSA-N 2 0 332.536 3.482 20 0 EGADRP O[C@@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Cl ZINC000878748596 1300172636 /nfs/dbraw/zinc/17/26/36/1300172636.db2.gz YCSPOYWGOCGKCI-SFHVURJKSA-N 2 0 349.837 3.120 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000756115078 1300440861 /nfs/dbraw/zinc/44/08/61/1300440861.db2.gz DSAYYMMQAZTTRA-UHFFFAOYSA-N 2 0 348.491 3.250 20 0 EGADRP C[NH+]1CCC2(CCN(Cc3nc(C(F)(F)F)cs3)CC2)CC1 ZINC000879249772 1300452884 /nfs/dbraw/zinc/45/28/84/1300452884.db2.gz ARQRSJRKFPSLGS-UHFFFAOYSA-N 2 0 333.423 3.470 20 0 EGADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000760898341 1301360804 /nfs/dbraw/zinc/36/08/04/1301360804.db2.gz REAVNSVCGKXKJM-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP COc1ccc2c(NCCC[N@@H+]3CCCO[C@H](C)C3)cc[nH+]c2c1 ZINC000763054337 1301813599 /nfs/dbraw/zinc/81/35/99/1301813599.db2.gz XHXWKZYLTNFMLJ-OAHLLOKOSA-N 2 0 329.444 3.156 20 0 EGADRP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726458 1302080534 /nfs/dbraw/zinc/08/05/34/1302080534.db2.gz VEPXLSVPFISRSP-INIZCTEOSA-N 2 0 329.419 3.111 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c3cc(OC)ccc32)C1 ZINC000765512414 1302276126 /nfs/dbraw/zinc/27/61/26/1302276126.db2.gz BTLQCOLDVHVPBB-QGZVFWFLSA-N 2 0 343.471 3.181 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883431645 1302442222 /nfs/dbraw/zinc/44/22/22/1302442222.db2.gz ALILKKFHFRQURT-MXEMCNAFSA-N 2 0 344.499 3.125 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)c1 ZINC000884014554 1302697610 /nfs/dbraw/zinc/69/76/10/1302697610.db2.gz PPDQRKUHUIKYRG-SFHVURJKSA-N 2 0 337.423 3.051 20 0 EGADRP C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769785526 1303173875 /nfs/dbraw/zinc/17/38/75/1303173875.db2.gz CSKITRLPCACBGH-SXLOBPIMSA-N 2 0 332.488 3.030 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000886022601 1303321746 /nfs/dbraw/zinc/32/17/46/1303321746.db2.gz GXCIRQYNHLQPEL-AHJVTXKRSA-N 2 0 332.463 3.196 20 0 EGADRP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886529099 1303487998 /nfs/dbraw/zinc/48/79/98/1303487998.db2.gz WJWXXFQPTCAQNJ-SARBKMAYSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2CCSC2=S)CC1)CC(C)C ZINC000773272993 1303653554 /nfs/dbraw/zinc/65/35/54/1303653554.db2.gz UOJBEAWHYUYGIV-UHFFFAOYSA-N 2 0 343.606 3.358 20 0 EGADRP CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000775050298 1303894916 /nfs/dbraw/zinc/89/49/16/1303894916.db2.gz GARBLVVHFBJUFT-UHFFFAOYSA-N 2 0 347.503 3.287 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CC2)cc1C[NH+]1CCCCC1 ZINC000775409697 1303959839 /nfs/dbraw/zinc/95/98/39/1303959839.db2.gz GIDSZVNURWWITI-JXFKEZNVSA-N 2 0 346.515 3.493 20 0 EGADRP Cc1ncc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000775522539 1303978425 /nfs/dbraw/zinc/97/84/25/1303978425.db2.gz STGBBZCDJWRBID-YJBOKZPZSA-N 2 0 329.513 3.494 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000888098968 1304033395 /nfs/dbraw/zinc/03/33/95/1304033395.db2.gz SABHKSYMJRGKEN-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(N[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000777584465 1304322321 /nfs/dbraw/zinc/32/23/21/1304322321.db2.gz YZZRXNIKRSALMJ-AOIWGVFYSA-N 2 0 331.504 3.302 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000779085213 1304528146 /nfs/dbraw/zinc/52/81/46/1304528146.db2.gz KUYVKSOJDVEEHA-GIVPXCGWSA-N 2 0 348.531 3.011 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000783515830 1305102374 /nfs/dbraw/zinc/10/23/74/1305102374.db2.gz CCDPNVUNAYBXGV-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000892570067 1305445958 /nfs/dbraw/zinc/44/59/58/1305445958.db2.gz HJFNJEORFXDQFJ-ZWKOTPCHSA-N 2 0 334.504 3.202 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893103729 1305708149 /nfs/dbraw/zinc/70/81/49/1305708149.db2.gz SPXAUMONXPAATC-IMKFEJLOSA-N 2 0 341.543 3.358 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000893207515 1305762199 /nfs/dbraw/zinc/76/21/99/1305762199.db2.gz LVZBSCLOXTZDMK-UTKZUKDTSA-N 2 0 346.515 3.243 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893328125 1305832857 /nfs/dbraw/zinc/83/28/57/1305832857.db2.gz VGOWMYHRBKYAKL-UHFFFAOYSA-N 2 0 326.488 3.428 20 0 EGADRP CCC[NH+]1CCC(N(C)Cc2c3ccccc3[nH]c2C(=O)OC)CC1 ZINC000893967451 1306153747 /nfs/dbraw/zinc/15/37/47/1306153747.db2.gz MBKWOAWJRNTDIW-UHFFFAOYSA-N 2 0 343.471 3.261 20 0 EGADRP CC1(c2ccc(Cl)cc2)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000791548992 1309025003 /nfs/dbraw/zinc/02/50/03/1309025003.db2.gz FORWPRTYQRNIEN-GOSISDBHSA-N 2 0 336.907 3.150 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000894764833 1309057668 /nfs/dbraw/zinc/05/76/68/1309057668.db2.gz VVHCNZHVITUUMJ-IBGZPJMESA-N 2 0 341.503 3.037 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)CC1 ZINC000895341626 1309290015 /nfs/dbraw/zinc/29/00/15/1309290015.db2.gz LBGUHDSYBUCCGW-LJQANCHMSA-N 2 0 336.907 3.363 20 0 EGADRP Cc1cc([C@@H](C)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565362 1309405214 /nfs/dbraw/zinc/40/52/14/1309405214.db2.gz KBJDWMZYYDAVOY-YLJYHZDGSA-N 2 0 326.488 3.291 20 0 EGADRP Cn1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)c(-c2cccnc2)n1 ZINC000895686438 1309465735 /nfs/dbraw/zinc/46/57/35/1309465735.db2.gz RRASDLYKMMPPTL-UHFFFAOYSA-N 2 0 341.503 3.180 20 0 EGADRP CN(C)C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000895691619 1309468232 /nfs/dbraw/zinc/46/82/32/1309468232.db2.gz IZAUBLAAIGUSTL-KRWDZBQOSA-N 2 0 343.437 3.240 20 0 EGADRP Cc1cc(CNc2cnn(C3CC[NH+](C)CC3)c2)c2c(n1)CCCC2 ZINC000895754526 1309505567 /nfs/dbraw/zinc/50/55/67/1309505567.db2.gz WJPDVULZQKGJPC-UHFFFAOYSA-N 2 0 339.487 3.344 20 0 EGADRP CN(CC[N@H+](C)[C@H]1CCc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000795971349 1309873151 /nfs/dbraw/zinc/87/31/51/1309873151.db2.gz KMZDXCAYKBTYPT-IBGZPJMESA-N 2 0 335.923 3.285 20 0 EGADRP CC1(c2cccc(Cl)c2)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000796572141 1310036840 /nfs/dbraw/zinc/03/68/40/1310036840.db2.gz FUANXUXMPAFGLX-GOSISDBHSA-N 2 0 336.907 3.150 20 0 EGADRP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc(Cl)n1 ZINC000797595426 1310217030 /nfs/dbraw/zinc/21/70/30/1310217030.db2.gz BHYFSILVDAFDFY-UHFFFAOYSA-N 2 0 333.863 3.274 20 0 EGADRP Cc1ccccc1-n1nccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956952 1310462780 /nfs/dbraw/zinc/46/27/80/1310462780.db2.gz RGSGQUJBRCOLLG-UHFFFAOYSA-N 2 0 338.499 3.489 20 0 EGADRP CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000897863947 1310497389 /nfs/dbraw/zinc/49/73/89/1310497389.db2.gz JESRGUQZJJSXKR-DLBZAZTESA-N 2 0 349.544 3.000 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178420 1310500209 /nfs/dbraw/zinc/50/02/09/1310500209.db2.gz RNSOIWAVINKTKY-UHFFFAOYSA-N 3 0 338.499 3.489 20 0 EGADRP CCN(C(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000799179014 1310500239 /nfs/dbraw/zinc/50/02/39/1310500239.db2.gz YDOVHGDTVMXZOI-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP O[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000898204576 1310626003 /nfs/dbraw/zinc/62/60/03/1310626003.db2.gz WSRHGCZETOWMQT-XRXFAXGQSA-N 2 0 328.500 3.038 20 0 EGADRP CN(CC[NH+]1CCCCC1)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857297008 1328526694 /nfs/dbraw/zinc/52/66/94/1328526694.db2.gz HWDXVKGKDVEHBZ-FQEVSTJZSA-N 2 0 343.515 3.054 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000957076857 1317174696 /nfs/dbraw/zinc/17/46/96/1317174696.db2.gz IFYKBGFHYOEQNF-UHFFFAOYSA-N 2 0 337.552 3.076 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000957325200 1317285513 /nfs/dbraw/zinc/28/55/13/1317285513.db2.gz IZCTZDHKUNEYKA-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900530158 1317301301 /nfs/dbraw/zinc/30/13/01/1317301301.db2.gz VSTITPNQFXPILS-PMACEKPBSA-N 2 0 343.515 3.114 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019820495 1317440016 /nfs/dbraw/zinc/44/00/16/1317440016.db2.gz MJVOYWHFHUHBHP-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000957573178 1317471028 /nfs/dbraw/zinc/47/10/28/1317471028.db2.gz LLWRZWYYAAINNB-UHFFFAOYSA-N 2 0 347.547 3.120 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000902385924 1317572029 /nfs/dbraw/zinc/57/20/29/1317572029.db2.gz AUKHVXVABQVTAH-GDBMZVCRSA-N 2 0 330.451 3.440 20 0 EGADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCCON)c2ccc(F)cc2)CC1 ZINC000902426480 1317576462 /nfs/dbraw/zinc/57/64/62/1317576462.db2.gz UXRQXCDPHOCTMV-LJQANCHMSA-N 2 0 337.483 3.249 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000957713035 1317583853 /nfs/dbraw/zinc/58/38/53/1317583853.db2.gz ICUSKXHJFFJXNN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020239147 1317605177 /nfs/dbraw/zinc/60/51/77/1317605177.db2.gz PWLLMQOXLJCWQS-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020239282 1317605294 /nfs/dbraw/zinc/60/52/94/1317605294.db2.gz VKZJECGBVZOKPD-VBSBHUPXSA-N 2 0 343.515 3.247 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000957771613 1317636431 /nfs/dbraw/zinc/63/64/31/1317636431.db2.gz DFLRFILPLRYPNF-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@H]1[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000903015547 1317640582 /nfs/dbraw/zinc/64/05/82/1317640582.db2.gz FZUQDTRAGGAXON-DOTOQJQBSA-N 2 0 339.524 3.238 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957777903 1317642116 /nfs/dbraw/zinc/64/21/16/1317642116.db2.gz BVYYPQHETUIQHF-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[NH+](CCC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000957786331 1317644888 /nfs/dbraw/zinc/64/48/88/1317644888.db2.gz KUWSHCMLULZRSE-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903076577 1317647604 /nfs/dbraw/zinc/64/76/04/1317647604.db2.gz SGFJMULEYKMRKX-KXGHRTJOSA-N 2 0 343.490 3.399 20 0 EGADRP COc1cccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903103130 1317653848 /nfs/dbraw/zinc/65/38/48/1317653848.db2.gz FGUBXKXLVBKNTG-UNPWZGGWSA-N 2 0 330.472 3.210 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c3ccccc31)C2 ZINC000903118169 1317656998 /nfs/dbraw/zinc/65/69/98/1317656998.db2.gz WDYSOXIOCKIBOY-FFRPWAFZSA-N 2 0 328.500 3.304 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001020355155 1317657280 /nfs/dbraw/zinc/65/72/80/1317657280.db2.gz PEUBAUPRCIOPKC-IYARVYRRSA-N 2 0 340.471 3.155 20 0 EGADRP OC[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H]1c1ccc(F)cc1 ZINC000903159716 1317665344 /nfs/dbraw/zinc/66/53/44/1317665344.db2.gz HNEJZLZHDOSDKJ-VUQUMOFBSA-N 2 0 344.474 3.039 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCOC34CCCC4)cc2)CC1 ZINC000903167038 1317667999 /nfs/dbraw/zinc/66/79/99/1317667999.db2.gz VWZZISNDOSOLKO-FQEVSTJZSA-N 2 0 344.499 3.351 20 0 EGADRP Fc1ccccc1N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903175882 1317668343 /nfs/dbraw/zinc/66/83/43/1317668343.db2.gz WYWUXRIIBDPKIN-DUZACMNTSA-N 2 0 329.463 3.152 20 0 EGADRP c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722749 1317724911 /nfs/dbraw/zinc/72/49/11/1317724911.db2.gz OKWIKWXFHQRYPU-ICSRJNTNSA-N 2 0 326.484 3.297 20 0 EGADRP Fc1ccccc1C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766816 1317731385 /nfs/dbraw/zinc/73/13/85/1317731385.db2.gz BQOBDXHVMKITKX-OALUTQOASA-N 2 0 346.490 3.381 20 0 EGADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780765 1317731679 /nfs/dbraw/zinc/73/16/79/1317731679.db2.gz LDRJPTJZSCHZOL-OPYAIIAOSA-N 2 0 344.499 3.033 20 0 EGADRP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789207 1317733847 /nfs/dbraw/zinc/73/38/47/1317733847.db2.gz UUTAKZKBQFYFHF-UYTSQGDYSA-N 2 0 346.437 3.341 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001020511689 1317734951 /nfs/dbraw/zinc/73/49/51/1317734951.db2.gz DSZVUGIQAJIVFE-LEAZDLGRSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1nc2ccccn2c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793098 1317735542 /nfs/dbraw/zinc/73/55/42/1317735542.db2.gz MWPAMXLEBVXFDI-UHFFFAOYSA-N 2 0 334.467 3.135 20 0 EGADRP CC(=O)Nc1cccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC000903794330 1317735956 /nfs/dbraw/zinc/73/59/56/1317735956.db2.gz QOBLGZQWUPETCX-UHFFFAOYSA-N 2 0 337.467 3.138 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC(C)(C)[C@H](c3ccccc3)C2)n1 ZINC000903824418 1317738315 /nfs/dbraw/zinc/73/83/15/1317738315.db2.gz QHSDHPNWJHIQQZ-HNNXBMFYSA-N 2 0 328.460 3.279 20 0 EGADRP Clc1ccccc1N1CCC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903924441 1317750173 /nfs/dbraw/zinc/75/01/73/1317750173.db2.gz CXQIAVKQSTWEIK-NPYXIHBLSA-N 2 0 333.907 3.429 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000903927346 1317750516 /nfs/dbraw/zinc/75/05/16/1317750516.db2.gz XOOUIZKHZSZBOF-UHFFFAOYSA-N 3 0 341.543 3.465 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939391 1317751277 /nfs/dbraw/zinc/75/12/77/1317751277.db2.gz GJRJGVWPEJPECB-LLVKDONJSA-N 2 0 347.381 3.019 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000903933894 1317752016 /nfs/dbraw/zinc/75/20/16/1317752016.db2.gz AFNZKPKEUCOXTG-YSSFQJQWSA-N 2 0 339.487 3.177 20 0 EGADRP C[C@@H]1C[C@H](N(C)C[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000904320963 1317830488 /nfs/dbraw/zinc/83/04/88/1317830488.db2.gz SDWUPRZXHIQVFB-NRSPTQNISA-N 2 0 329.532 3.361 20 0 EGADRP Fc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1C(F)F ZINC000904381453 1317839841 /nfs/dbraw/zinc/83/98/41/1317839841.db2.gz POJIKWXUFDLTGG-HNNXBMFYSA-N 2 0 342.405 3.354 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000904393004 1317840712 /nfs/dbraw/zinc/84/07/12/1317840712.db2.gz GKIZRCUQCVJPPV-ZCNNSNEGSA-N 2 0 328.500 3.327 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000904657987 1317877654 /nfs/dbraw/zinc/87/76/54/1317877654.db2.gz CBFWTRQBYYUCDP-KRWDZBQOSA-N 2 0 344.503 3.265 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccccc2C[NH3+])cc1 ZINC000904667198 1317879941 /nfs/dbraw/zinc/87/99/41/1317879941.db2.gz XKKVNIMOKRRCHO-UHFFFAOYSA-N 2 0 340.471 3.309 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)F ZINC000905135163 1317927473 /nfs/dbraw/zinc/92/74/73/1317927473.db2.gz WAFGLVWMJYJNOA-SFHVURJKSA-N 2 0 338.398 3.017 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccnc(Cl)c2Cl)C[C@@H](C)O1 ZINC000811476354 1318182061 /nfs/dbraw/zinc/18/20/61/1318182061.db2.gz SIFSRFOQFCAAGI-CHWSQXEVSA-N 2 0 346.302 3.367 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccnc(Cl)c2Cl)C[C@H](C)O1 ZINC000811476353 1318182109 /nfs/dbraw/zinc/18/21/09/1318182109.db2.gz SIFSRFOQFCAAGI-BETUJISGSA-N 2 0 346.302 3.367 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021399215 1318232808 /nfs/dbraw/zinc/23/28/08/1318232808.db2.gz DVFPWALMCODWBT-RAFMOHDBSA-N 2 0 347.547 3.161 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1)[NH+](C)C ZINC000960041662 1318323824 /nfs/dbraw/zinc/32/38/24/1318323824.db2.gz CDICPQRYZRZEFN-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1C)[NH+](C)C ZINC000960045075 1318328202 /nfs/dbraw/zinc/32/82/02/1318328202.db2.gz WYOVULLGKLHJJW-WSTZPKSXSA-N 2 0 345.531 3.367 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC000908504534 1318357272 /nfs/dbraw/zinc/35/72/72/1318357272.db2.gz DBJIPGVMKBGLJU-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960130022 1318372114 /nfs/dbraw/zinc/37/21/14/1318372114.db2.gz DJAMMRSQWWNUHY-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC000960132307 1318372923 /nfs/dbraw/zinc/37/29/23/1318372923.db2.gz VUMNTBTWLJMLEN-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2C[NH+](CCC(C)(C)C)CC[C@H]21)C1CCC1 ZINC001021604082 1318449176 /nfs/dbraw/zinc/44/91/76/1318449176.db2.gz AWUMLHCDIRNACI-IEBWSBKVSA-N 2 0 349.563 3.220 20 0 EGADRP c1cc2c(cc1C[NH2+]C1CCN(C[C@H]3CCCO3)CC1)CCCC2 ZINC000813772530 1318629604 /nfs/dbraw/zinc/62/96/04/1318629604.db2.gz JTDQHZRSUATTMQ-OAQYLSRUSA-N 2 0 328.500 3.298 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960630643 1318755898 /nfs/dbraw/zinc/75/58/98/1318755898.db2.gz XKGFUGNXQATEEX-ROUUACIJSA-N 2 0 349.544 3.044 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001022279330 1318872074 /nfs/dbraw/zinc/87/20/74/1318872074.db2.gz WHQPUYDHQBUYCI-IYWMVGAKSA-N 2 0 345.531 3.131 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001022435663 1318940913 /nfs/dbraw/zinc/94/09/13/1318940913.db2.gz ZDWDEWAASBAMLT-KDURUIRLSA-N 2 0 348.450 3.002 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001022536389 1318980097 /nfs/dbraw/zinc/98/00/97/1318980097.db2.gz UTFFZHBZJNEDQF-YTQUADARSA-N 2 0 343.515 3.167 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001022536395 1318980799 /nfs/dbraw/zinc/98/07/99/1318980799.db2.gz UXAOKWXICLMNNS-OTWHNJEPSA-N 2 0 343.515 3.249 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022585491 1319004682 /nfs/dbraw/zinc/00/46/82/1319004682.db2.gz PGRNNJFGXRZFMV-AQNXPRMDSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001022600110 1319009876 /nfs/dbraw/zinc/00/98/76/1319009876.db2.gz DSZVUGIQAJIVFE-FRYIKTPZSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815577947 1319019115 /nfs/dbraw/zinc/01/91/15/1319019115.db2.gz DIAMHIPRITVTTB-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1)CC1CCC(C)(C)CC1 ZINC000960942976 1319082409 /nfs/dbraw/zinc/08/24/09/1319082409.db2.gz CJLFGJJSQBBNMI-KRWDZBQOSA-N 2 0 346.519 3.091 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000961031739 1319155252 /nfs/dbraw/zinc/15/52/52/1319155252.db2.gz OFDVQZJBDFGWML-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP COc1ccc(C)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817909076 1319458173 /nfs/dbraw/zinc/45/81/73/1319458173.db2.gz XKCQCDWRQHMUCP-GHTZIAJQSA-N 2 0 338.451 3.349 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000817922134 1319461614 /nfs/dbraw/zinc/46/16/14/1319461614.db2.gz RKPAEZOWOFAAMS-DOTOQJQBSA-N 2 0 331.460 3.044 20 0 EGADRP O=C1OCCN1c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000817922123 1319461761 /nfs/dbraw/zinc/46/17/61/1319461761.db2.gz QRRYPSMANKXNRW-GBESFXJTSA-N 2 0 343.471 3.044 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000817922478 1319461985 /nfs/dbraw/zinc/46/19/85/1319461985.db2.gz HEBVYMWFQIATMJ-KYNGSXCRSA-N 2 0 332.875 3.096 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)ccc1OC ZINC000817941799 1319470379 /nfs/dbraw/zinc/47/03/79/1319470379.db2.gz RTERZFJZBSLZLB-MRXNPFEDSA-N 3 0 333.520 3.187 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@H]2CCCC[NH2+]2)ccc1OC ZINC000817948594 1319473694 /nfs/dbraw/zinc/47/36/94/1319473694.db2.gz BWCIEUKAPQUFLZ-VQIMIIECSA-N 2 0 333.520 3.330 20 0 EGADRP COc1ccc([C@H](C)N[C@H](C[NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960667 1319478359 /nfs/dbraw/zinc/47/83/59/1319478359.db2.gz OZRUYOYRGLEMAM-HNAYVOBHSA-N 2 0 331.504 3.069 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817966778 1319479957 /nfs/dbraw/zinc/47/99/57/1319479957.db2.gz VJLYFOFSSFBKFQ-BEFAXECRSA-N 2 0 331.460 3.074 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817969689 1319481078 /nfs/dbraw/zinc/48/10/78/1319481078.db2.gz HCFAOSAFTNBOLM-XUWVNRHRSA-N 2 0 325.497 3.024 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Br)nc1 ZINC000817975547 1319482414 /nfs/dbraw/zinc/48/24/14/1319482414.db2.gz NOYHDAUKSCKWQH-AVGNSLFASA-N 2 0 326.282 3.260 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023402567 1319510050 /nfs/dbraw/zinc/51/00/50/1319510050.db2.gz OGAMBSVUVXQVOY-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373117 1319530044 /nfs/dbraw/zinc/53/00/44/1319530044.db2.gz GLELEIMTZHOKQN-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489988 1319594636 /nfs/dbraw/zinc/59/46/36/1319594636.db2.gz QEQKHKJTBLZVJW-KRWDZBQOSA-N 2 0 342.487 3.212 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000818969411 1319597020 /nfs/dbraw/zinc/59/70/20/1319597020.db2.gz PFQJQPWWDNWGAZ-WMLDXEAASA-N 2 0 344.421 3.450 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000818969626 1319597538 /nfs/dbraw/zinc/59/75/38/1319597538.db2.gz REMNWBMROVDUEV-RHSMWYFYSA-N 2 0 344.421 3.450 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(F)c1 ZINC000819015574 1319615434 /nfs/dbraw/zinc/61/54/34/1319615434.db2.gz KHUCDPGSOPXRGG-WIYYLYMNSA-N 2 0 342.458 3.013 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819106163 1319635755 /nfs/dbraw/zinc/63/57/55/1319635755.db2.gz NZLYFDCRVLGVEP-QGZVFWFLSA-N 2 0 344.421 3.450 20 0 EGADRP O[C@@H](CCc1ccccc1)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819143292 1319647422 /nfs/dbraw/zinc/64/74/22/1319647422.db2.gz ZAZRJHDKFCDDDC-CBNMVNINSA-N 2 0 330.516 3.367 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000819141845 1319648448 /nfs/dbraw/zinc/64/84/48/1319648448.db2.gz JZYQZVOTNYKJCJ-IBGZPJMESA-N 2 0 340.458 3.346 20 0 EGADRP CC(C)(C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000819259721 1319681385 /nfs/dbraw/zinc/68/13/85/1319681385.db2.gz LRQBNPJPBGBNQV-MRXNPFEDSA-N 2 0 344.421 3.450 20 0 EGADRP CSC1(C[NH2+]C[C@H](O)c2cccc3ccccc32)CC[NH+](C)CC1 ZINC000819321651 1319697642 /nfs/dbraw/zinc/69/76/42/1319697642.db2.gz LRIBMUKGIJTRMZ-IBGZPJMESA-N 2 0 344.524 3.290 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001023696823 1319822908 /nfs/dbraw/zinc/82/29/08/1319822908.db2.gz XIFRSPBGEMGZAX-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCN(C)[C@@H](c1nc(-c2ccc(C[NH3+])cc2F)no1)c1ccccc1 ZINC000822901105 1320134602 /nfs/dbraw/zinc/13/46/02/1320134602.db2.gz NYJDKTQCDCIOJP-QGZVFWFLSA-N 2 0 340.402 3.376 20 0 EGADRP Cc1noc2ncc(C[N@@H+]3CC[C@H](CNc4cc(C)cc[nH+]4)C3)cc12 ZINC000825241577 1320320158 /nfs/dbraw/zinc/32/01/58/1320320158.db2.gz SNEIPNVXBKKGQJ-OAHLLOKOSA-N 2 0 337.427 3.169 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000825762544 1320361415 /nfs/dbraw/zinc/36/14/15/1320361415.db2.gz NOHDTKXFCDNBBL-GOSISDBHSA-N 2 0 346.515 3.408 20 0 EGADRP Fc1c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)ccnc1Cl ZINC000827012473 1320420906 /nfs/dbraw/zinc/42/09/06/1320420906.db2.gz XSKSRNKLYWLNPX-UHFFFAOYSA-N 2 0 348.853 3.271 20 0 EGADRP Cc1ccc([C@H](O)[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000839093342 1320868669 /nfs/dbraw/zinc/86/86/69/1320868669.db2.gz YQMSTRKSCQQIEM-OXQOHEQNSA-N 2 0 325.456 3.071 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000840807821 1321153429 /nfs/dbraw/zinc/15/34/29/1321153429.db2.gz GODJICXUIKAHNX-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(Br)ncc1F ZINC000840810380 1321154023 /nfs/dbraw/zinc/15/40/23/1321154023.db2.gz SUBQJEPKFUOMLS-NWDGAFQWSA-N 2 0 344.272 3.366 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(Cl)c1OC ZINC000841031916 1321204229 /nfs/dbraw/zinc/20/42/29/1321204229.db2.gz BNKSWSBPMWYGJI-UHFFFAOYSA-N 2 0 334.847 3.148 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1C ZINC000841032675 1321204251 /nfs/dbraw/zinc/20/42/51/1321204251.db2.gz VOCNDPJVXADQNT-MRXNPFEDSA-N 2 0 339.483 3.312 20 0 EGADRP Cc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000841035759 1321206231 /nfs/dbraw/zinc/20/62/31/1321206231.db2.gz IJAMIOGPVJHMPQ-SFHVURJKSA-N 2 0 339.483 3.367 20 0 EGADRP CCCCn1nc(C)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1Cl ZINC000841077760 1321214548 /nfs/dbraw/zinc/21/45/48/1321214548.db2.gz CTDFKEZROITWEH-SHTZXODSSA-N 2 0 326.916 3.500 20 0 EGADRP Cc1ccccc1SC[C@@H](C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000859215530 1328949406 /nfs/dbraw/zinc/94/94/06/1328949406.db2.gz JIKVYLUHOBOWST-SFHVURJKSA-N 2 0 349.588 3.293 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000842472284 1321392497 /nfs/dbraw/zinc/39/24/97/1321392497.db2.gz WAGSLGWCGGVBTH-IBGZPJMESA-N 2 0 331.504 3.180 20 0 EGADRP O[C@H](C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1ccsc1 ZINC000842473118 1321393062 /nfs/dbraw/zinc/39/30/62/1321393062.db2.gz POEDLDJCQPUKIV-VQIMIIECSA-N 2 0 330.497 3.283 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000843053363 1321462225 /nfs/dbraw/zinc/46/22/25/1321462225.db2.gz XZFKWXUOJOWHOX-CYBMUJFWSA-N 2 0 332.879 3.393 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000843105193 1321471323 /nfs/dbraw/zinc/47/13/23/1321471323.db2.gz RUOKXWUWBSESDU-UHFFFAOYSA-N 2 0 334.414 3.127 20 0 EGADRP CC(C)[C@H]([NH3+])c1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000843152145 1321479684 /nfs/dbraw/zinc/47/96/84/1321479684.db2.gz QJHLXWYTKGDFAK-ZBFHGGJFSA-N 2 0 332.423 3.244 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc([C@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000843182081 1321483010 /nfs/dbraw/zinc/48/30/10/1321483010.db2.gz WBLUQSGMTSBRSK-QGZVFWFLSA-N 2 0 338.455 3.190 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000843348265 1321503192 /nfs/dbraw/zinc/50/31/92/1321503192.db2.gz AEWTWBCFTFUUTD-GJZGRUSLSA-N 2 0 331.504 3.370 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843363473 1321507167 /nfs/dbraw/zinc/50/71/67/1321507167.db2.gz LVUJVASJRCFLFQ-INIZCTEOSA-N 2 0 339.483 3.488 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843386799 1321509686 /nfs/dbraw/zinc/50/96/86/1321509686.db2.gz MJHNZPFYNIYHQK-SJORKVTESA-N 2 0 340.467 3.313 20 0 EGADRP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843388696 1321510499 /nfs/dbraw/zinc/51/04/99/1321510499.db2.gz WJAPCULVUIHFCA-IRXDYDNUSA-N 2 0 343.515 3.244 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc1F ZINC000844188043 1321576544 /nfs/dbraw/zinc/57/65/44/1321576544.db2.gz MZHIDIBMCSYYQG-SFHVURJKSA-N 2 0 329.419 3.306 20 0 EGADRP [NH3+]C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000844196182 1321577169 /nfs/dbraw/zinc/57/71/69/1321577169.db2.gz BBJJWEFSWUMBHI-FQEVSTJZSA-N 2 0 339.483 3.222 20 0 EGADRP CC(C)n1ncc2cc(C[NH+]3CCC(CC[NH3+])CC3)c(Cl)nc21 ZINC000844910382 1321656924 /nfs/dbraw/zinc/65/69/24/1321656924.db2.gz GZITUCJDSKKSTJ-UHFFFAOYSA-N 2 0 335.883 3.226 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000844926384 1321659439 /nfs/dbraw/zinc/65/94/39/1321659439.db2.gz YWNOKISAYJFHIS-CYBMUJFWSA-N 2 0 343.402 3.092 20 0 EGADRP CC[C@@H](C)c1ccc(NC(=O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000846224993 1321777278 /nfs/dbraw/zinc/77/72/78/1321777278.db2.gz HTBJXTYYAGZJTJ-SYNHAJSKSA-N 2 0 329.488 3.199 20 0 EGADRP C[C@H]1C[C@@H](CCNC(=[NH2+])NCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989918 1322056910 /nfs/dbraw/zinc/05/69/10/1322056910.db2.gz LHAFCWKIRXTBSN-QFBILLFUSA-N 2 0 328.504 3.201 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000849058916 1322061724 /nfs/dbraw/zinc/06/17/24/1322061724.db2.gz TZQLQIILRUZGJU-IBGZPJMESA-N 2 0 330.520 3.365 20 0 EGADRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000849063916 1322062757 /nfs/dbraw/zinc/06/27/57/1322062757.db2.gz UWPPKJYVPIGURY-HKUYNNGSSA-N 2 0 328.504 3.155 20 0 EGADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849082484 1322071294 /nfs/dbraw/zinc/07/12/94/1322071294.db2.gz DENYCCBAGBISSY-LBPRGKRZSA-N 2 0 344.381 3.253 20 0 EGADRP [NH2+]=C(NCC[NH+]1CCCCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083696 1322071693 /nfs/dbraw/zinc/07/16/93/1322071693.db2.gz FELHLJUOWYSVRF-UHFFFAOYSA-N 2 0 344.381 3.397 20 0 EGADRP Cc1cscc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849109477 1322082496 /nfs/dbraw/zinc/08/24/96/1322082496.db2.gz TVPILSIVOXNTRE-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920761927 1322219020 /nfs/dbraw/zinc/21/90/20/1322219020.db2.gz CDQRIFUPDQNWBU-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CN(C)C(=O)c1cccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000921821934 1322405419 /nfs/dbraw/zinc/40/54/19/1322405419.db2.gz GJMFUKRLQKWDKV-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)ccn1 ZINC000922244689 1322486655 /nfs/dbraw/zinc/48/66/55/1322486655.db2.gz XQUDMXCGCNXBPW-QHAWAJNXSA-N 2 0 343.515 3.088 20 0 EGADRP CC[NH2+]CC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923293929 1322727486 /nfs/dbraw/zinc/72/74/86/1322727486.db2.gz AUGUFUXLOWATAR-OAQYLSRUSA-N 2 0 326.484 3.065 20 0 EGADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923296007 1322727763 /nfs/dbraw/zinc/72/77/63/1322727763.db2.gz MSBNXZFNEQIAKN-KKSFZXQISA-N 2 0 339.483 3.118 20 0 EGADRP O[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(F)cc1Cl ZINC000923391789 1322744595 /nfs/dbraw/zinc/74/45/95/1322744595.db2.gz ZDXZUWHHAOMOIN-RDTXWAMCSA-N 2 0 340.870 3.224 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000923491336 1322760976 /nfs/dbraw/zinc/76/09/76/1322760976.db2.gz IANAHCOTHJTEDY-INIZCTEOSA-N 2 0 339.439 3.088 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000923494238 1322761209 /nfs/dbraw/zinc/76/12/09/1322761209.db2.gz WPZBXHXEFDWICR-MRXNPFEDSA-N 2 0 339.439 3.088 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024010782 1323078127 /nfs/dbraw/zinc/07/81/27/1323078127.db2.gz XEPQJOZZJPGMHA-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024023703 1323082103 /nfs/dbraw/zinc/08/21/03/1323082103.db2.gz OEOPKHLOSHTGCK-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2c(C)oc3ccccc32)CC1 ZINC000924673090 1323105397 /nfs/dbraw/zinc/10/53/97/1323105397.db2.gz VFVDERFOHCROPH-HOTGVXAUSA-N 2 0 329.488 3.418 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(F)n1 ZINC000851889427 1323107760 /nfs/dbraw/zinc/10/77/60/1323107760.db2.gz IWCWCOPGSZLXOQ-UHFFFAOYSA-N 2 0 328.435 3.354 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2CCCO)cc1 ZINC000924704340 1323122937 /nfs/dbraw/zinc/12/29/37/1323122937.db2.gz MYUZHQQTJHEISL-ICSRJNTNSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc2c1OCO2 ZINC000924704406 1323122996 /nfs/dbraw/zinc/12/29/96/1323122996.db2.gz ORRXSTVICYRESV-OAHLLOKOSA-N 2 0 342.439 3.207 20 0 EGADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924756602 1323147228 /nfs/dbraw/zinc/14/72/28/1323147228.db2.gz NELGMTVUGHVUDA-FXAWDEMLSA-N 2 0 326.484 3.250 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924866381 1323193401 /nfs/dbraw/zinc/19/34/01/1323193401.db2.gz BJLKZJWWKKWOFL-AWEZNQCLSA-N 2 0 325.447 3.128 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2coc3ccccc23)CC1 ZINC000924953675 1323227334 /nfs/dbraw/zinc/22/73/34/1323227334.db2.gz SBOFMIWSHPRYRV-IRXDYDNUSA-N 2 0 329.488 3.357 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000924962165 1323229461 /nfs/dbraw/zinc/22/94/61/1323229461.db2.gz ZSVVSXYSEUDWKZ-RTWAWAEBSA-N 2 0 340.515 3.373 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000924963073 1323230674 /nfs/dbraw/zinc/23/06/74/1323230674.db2.gz DGTZORNGLFHHDT-NWDGAFQWSA-N 2 0 348.293 3.419 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001024278245 1323257003 /nfs/dbraw/zinc/25/70/03/1323257003.db2.gz ICLMYBGEFCSSKL-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2=CCCCC2)CC[N@@H+]1C ZINC001024448717 1323407906 /nfs/dbraw/zinc/40/79/06/1323407906.db2.gz WKSBOPRQVJRZNQ-SLFFLAALSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024467779 1323423544 /nfs/dbraw/zinc/42/35/44/1323423544.db2.gz HCFJENDUWLBYGG-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2CCC(C)C)ccc2c[nH+]cn21 ZINC001024520195 1323468703 /nfs/dbraw/zinc/46/87/03/1323468703.db2.gz FUVBXVYKPMPFSZ-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001024557567 1323497196 /nfs/dbraw/zinc/49/71/96/1323497196.db2.gz YIDAETUQINXCHB-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC2CCCC2)CC1 ZINC001024633582 1323560766 /nfs/dbraw/zinc/56/07/66/1323560766.db2.gz KZBDYZTVGPJURS-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024962307 1323802209 /nfs/dbraw/zinc/80/22/09/1323802209.db2.gz NUMOUYIFRCEUSG-QZTJIDSGSA-N 2 0 349.544 3.092 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024989663 1323815541 /nfs/dbraw/zinc/81/55/41/1323815541.db2.gz VXOUZUNUEPKIQC-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025019424 1323828173 /nfs/dbraw/zinc/82/81/73/1323828173.db2.gz FSCGGPZGRXQTDH-LJQANCHMSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC001025038131 1323840751 /nfs/dbraw/zinc/84/07/51/1323840751.db2.gz SAMMUEKQGNFILF-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001025073266 1323874817 /nfs/dbraw/zinc/87/48/17/1323874817.db2.gz CJXBOYKFKBBQAA-RTBURBONSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440461 1329118277 /nfs/dbraw/zinc/11/82/77/1329118277.db2.gz HZPAGRIPHXLDOV-MELADBBJSA-N 2 0 334.414 3.376 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025104818 1323897517 /nfs/dbraw/zinc/89/75/17/1323897517.db2.gz HMFAFXKGLIKEHB-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001025123194 1323905105 /nfs/dbraw/zinc/90/51/05/1323905105.db2.gz WXYVAVVTNZDPKQ-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025245915 1324044775 /nfs/dbraw/zinc/04/47/75/1324044775.db2.gz AEFCZBHUEKXAMU-MOPGFXCFSA-N 2 0 340.471 3.203 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001025279334 1324101242 /nfs/dbraw/zinc/10/12/42/1324101242.db2.gz ZYBJTAITUNRMMC-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279533 1324102218 /nfs/dbraw/zinc/10/22/18/1324102218.db2.gz DDUZLFDXFOTTQM-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450897 1324293136 /nfs/dbraw/zinc/29/31/36/1324293136.db2.gz CDYDTBQFXJKRTF-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026492187 1324845977 /nfs/dbraw/zinc/84/59/77/1324845977.db2.gz FCZUMOUNGJUAST-ABHNRTSZSA-N 2 0 349.544 3.138 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1)[NH+]1CCCC1 ZINC001026540654 1324877241 /nfs/dbraw/zinc/87/72/41/1324877241.db2.gz VWAHCCLDCXQDTH-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026547230 1324884453 /nfs/dbraw/zinc/88/44/53/1324884453.db2.gz ATPVKGWNORHXAE-AFMYVXGZSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026561128 1324896541 /nfs/dbraw/zinc/89/65/41/1324896541.db2.gz PDYJOWIYNZPGFL-IPJUCJBFSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001026856321 1325044364 /nfs/dbraw/zinc/04/43/64/1325044364.db2.gz XQGWRHKHBDOCFD-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCOCCF)cc1C[NH+]1CCCCC1 ZINC000853239042 1325068642 /nfs/dbraw/zinc/06/86/42/1325068642.db2.gz YFRKMYVMCMWCDX-MRXNPFEDSA-N 2 0 338.467 3.318 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307514 1325088764 /nfs/dbraw/zinc/08/87/64/1325088764.db2.gz YXGVFDQKDRWANE-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328707 1325113284 /nfs/dbraw/zinc/11/32/84/1325113284.db2.gz RTRWEPYXSUGLMH-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963359016 1325154125 /nfs/dbraw/zinc/15/41/25/1325154125.db2.gz ZWKCCMJOWWPADW-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C)[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000925482139 1325169812 /nfs/dbraw/zinc/16/98/12/1325169812.db2.gz LSIJSNZYQOSHCA-WOJBJXKFSA-N 2 0 329.463 3.498 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1 ZINC000925506138 1325181725 /nfs/dbraw/zinc/18/17/25/1325181725.db2.gz WDBKNSBXQVUZNL-PXNSSMCTSA-N 2 0 330.447 3.047 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000925561522 1325209354 /nfs/dbraw/zinc/20/93/54/1325209354.db2.gz KNBDPPKRQHNQGD-KKNUOHPOSA-N 2 0 328.378 3.233 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000925580217 1325220123 /nfs/dbraw/zinc/22/01/23/1325220123.db2.gz KAFGBIKRQOIUFE-YMPMNUFNSA-N 2 0 329.271 3.132 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000925600133 1325228352 /nfs/dbraw/zinc/22/83/52/1325228352.db2.gz FIGNIRJKEWGVDF-FQEVSTJZSA-N 2 0 337.467 3.149 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027103903 1325229208 /nfs/dbraw/zinc/22/92/08/1325229208.db2.gz IFPYNWYWXLPGSO-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000963434055 1325243071 /nfs/dbraw/zinc/24/30/71/1325243071.db2.gz UCNIALPBAMYAIX-CTWPCTMYSA-N 2 0 335.536 3.019 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925655068 1325250291 /nfs/dbraw/zinc/25/02/91/1325250291.db2.gz UHVRLLOFTMGQLV-HJNYFJLDSA-N 2 0 341.543 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001027150762 1325254284 /nfs/dbraw/zinc/25/42/84/1325254284.db2.gz JUGRHEFVWMYTGQ-IBGZPJMESA-N 2 0 347.547 3.045 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(F)c(F)cc1Br ZINC000925667756 1325256230 /nfs/dbraw/zinc/25/62/30/1325256230.db2.gz CXOTWLDHMVLYFU-VJQLOYKJSA-N 2 0 345.231 3.333 20 0 EGADRP c1cncc([C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CCO2)c1 ZINC000925697133 1325263248 /nfs/dbraw/zinc/26/32/48/1325263248.db2.gz YTPWABIWCZULRW-ZRNYENFQSA-N 2 0 329.488 3.060 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000925740602 1325277084 /nfs/dbraw/zinc/27/70/84/1325277084.db2.gz JUUPKGPWTDRRRP-ZDUSSCGKSA-N 2 0 327.266 3.380 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000925768956 1325292108 /nfs/dbraw/zinc/29/21/08/1325292108.db2.gz MYIXOKAUAFQLMI-YWTNHNAXSA-N 2 0 344.499 3.449 20 0 EGADRP Cc1c(C(=O)N(C)C2CCC([NH2+]CC(C)C)CC2)ccc2c[nH+]cn21 ZINC000963599993 1325338540 /nfs/dbraw/zinc/33/85/40/1325338540.db2.gz VKZXENCWTWBYTA-UHFFFAOYSA-N 2 0 342.487 3.272 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963907657 1325431578 /nfs/dbraw/zinc/43/15/78/1325431578.db2.gz GYYGECIKHXGAEO-IVMQYODDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000926142189 1325445019 /nfs/dbraw/zinc/44/50/19/1325445019.db2.gz JPOVMUIAKPKATE-GUXCAODWSA-N 2 0 349.494 3.246 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963927452 1325445521 /nfs/dbraw/zinc/44/55/21/1325445521.db2.gz VGBNHBLUCOOEQQ-MBEFBZSESA-N 2 0 347.547 3.068 20 0 EGADRP Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926258656 1325493520 /nfs/dbraw/zinc/49/35/20/1325493520.db2.gz RFSAUJXHGNCCTL-UWJYYQICSA-N 2 0 326.484 3.311 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000926285063 1325503495 /nfs/dbraw/zinc/50/34/95/1325503495.db2.gz OHHIFSOHFIGMIV-NHCUHLMSSA-N 2 0 348.506 3.392 20 0 EGADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926377814 1325533350 /nfs/dbraw/zinc/53/33/50/1325533350.db2.gz MHDJHRYDBWNZIY-LEWJYISDSA-N 2 0 346.515 3.310 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926496943 1325576550 /nfs/dbraw/zinc/57/65/50/1325576550.db2.gz BQISVGHPSORRSJ-MGPUTAFESA-N 2 0 330.447 3.142 20 0 EGADRP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857141965 1325580562 /nfs/dbraw/zinc/58/05/62/1325580562.db2.gz OQHNQFDTMMLCJV-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP OCCC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926693680 1327670010 /nfs/dbraw/zinc/67/00/10/1327670010.db2.gz OBUHMAJWBJOJRT-NHCUHLMSSA-N 2 0 345.531 3.215 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027464868 1327717065 /nfs/dbraw/zinc/71/70/65/1327717065.db2.gz IMWVAPDOZHOTOX-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1-n1ccnn1 ZINC000927038437 1327826323 /nfs/dbraw/zinc/82/63/23/1327826323.db2.gz QYBWNNMZUXQFRP-ZRZPHAQCSA-N 2 0 339.487 3.325 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027542376 1327844379 /nfs/dbraw/zinc/84/43/79/1327844379.db2.gz KWZAHCDFSUGXGY-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541848 1327845241 /nfs/dbraw/zinc/84/52/41/1327845241.db2.gz CBKVVJSCGWMIFQ-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027578489 1327912392 /nfs/dbraw/zinc/91/23/92/1327912392.db2.gz LNXKHKXRJYQHEE-MOPGFXCFSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1)[NH+](C)C ZINC001027578109 1327914548 /nfs/dbraw/zinc/91/45/48/1327914548.db2.gz CUPNIOBJBPXTBK-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577086 1327914673 /nfs/dbraw/zinc/91/46/73/1327914673.db2.gz DDPBZKCBSBLITB-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647041 1328023495 /nfs/dbraw/zinc/02/34/95/1328023495.db2.gz KWWMEMLELGYPQL-CTNGQTDRSA-N 2 0 345.531 3.042 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027693496 1328098394 /nfs/dbraw/zinc/09/83/94/1328098394.db2.gz CMPLFWCLUSQNRC-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693722 1328099020 /nfs/dbraw/zinc/09/90/20/1328099020.db2.gz HUMJRHFWRCMTDH-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027878774 1328344216 /nfs/dbraw/zinc/34/42/16/1328344216.db2.gz ILEUTCBBOYWDLO-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027878716 1328346159 /nfs/dbraw/zinc/34/61/59/1328346159.db2.gz HKTWAGILSKMBQV-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCCC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001027963758 1328434867 /nfs/dbraw/zinc/43/48/67/1328434867.db2.gz DHSZZHHXIJOEAJ-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027986382 1328458077 /nfs/dbraw/zinc/45/80/77/1328458077.db2.gz VRDIZUPSORNIHN-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029752 1328492533 /nfs/dbraw/zinc/49/25/33/1328492533.db2.gz KWVJKRUJTUBRTC-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028046089 1328511693 /nfs/dbraw/zinc/51/16/93/1328511693.db2.gz YJRILRWOVTUZCI-IEBWSBKVSA-N 2 0 345.531 3.031 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)oc21 ZINC000863652254 1329570839 /nfs/dbraw/zinc/57/08/39/1329570839.db2.gz SZUVRPCFLBJYQD-QGZVFWFLSA-N 2 0 344.455 3.032 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)CC2)[NH+](C)C ZINC001050555297 1348288880 /nfs/dbraw/zinc/28/88/80/1348288880.db2.gz TVOCCAXSMSQISJ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)OC(=O)NCc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000865405688 1329692457 /nfs/dbraw/zinc/69/24/57/1329692457.db2.gz RKNLYNYICQBJFP-UHFFFAOYSA-N 2 0 347.503 3.287 20 0 EGADRP CSC1(C[NH2+]Cc2c(Cl)cncc2Cl)CC[NH+](C)CC1 ZINC000865574365 1329715392 /nfs/dbraw/zinc/71/53/92/1329715392.db2.gz ULYSPSWSXAHOJI-UHFFFAOYSA-N 2 0 334.316 3.305 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000865589940 1329717216 /nfs/dbraw/zinc/71/72/16/1329717216.db2.gz KCIPZFGYVRILBN-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000865717503 1329732127 /nfs/dbraw/zinc/73/21/27/1329732127.db2.gz ZZNYCKHMQCTZGT-UHFFFAOYSA-N 2 0 341.503 3.082 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc3c[nH]ccc-3n2)c1 ZINC000932481115 1329817282 /nfs/dbraw/zinc/81/72/82/1329817282.db2.gz QCKVDUWEVMCPEG-UHFFFAOYSA-N 2 0 336.439 3.333 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866423956 1330109884 /nfs/dbraw/zinc/10/98/84/1330109884.db2.gz BINSHPKUPPUUTF-NLWGTHIKSA-N 2 0 346.515 3.276 20 0 EGADRP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)CC1(C)OCCO1 ZINC000866426026 1330110472 /nfs/dbraw/zinc/11/04/72/1330110472.db2.gz QQWQZXYIHWNREO-ZHALLVOQSA-N 2 0 338.536 3.408 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000866468119 1330116241 /nfs/dbraw/zinc/11/62/41/1330116241.db2.gz AZXTWJZSJCXVQT-OAHLLOKOSA-N 2 0 345.487 3.179 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)CC1 ZINC000866590501 1330130274 /nfs/dbraw/zinc/13/02/74/1330130274.db2.gz RSSCGTLRHVDQEX-IBGZPJMESA-N 2 0 333.907 3.039 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257106 1331889962 /nfs/dbraw/zinc/88/99/62/1331889962.db2.gz JDCKHWFRZGCTQM-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581123 1331987138 /nfs/dbraw/zinc/98/71/38/1331987138.db2.gz AKMZHAOIMFBLIN-CRAIPNDOSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089331 1332496991 /nfs/dbraw/zinc/49/69/91/1332496991.db2.gz FZUAPTAOSUMUHQ-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362458 1333104226 /nfs/dbraw/zinc/10/42/26/1333104226.db2.gz XDKKWOKABLOMKQ-GDBMZVCRSA-N 2 0 337.533 3.193 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CCCCC1 ZINC000947498569 1333147992 /nfs/dbraw/zinc/14/79/92/1333147992.db2.gz WBHBBBPZIFXLKJ-IEBWSBKVSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615140 1333193211 /nfs/dbraw/zinc/19/32/11/1333193211.db2.gz FLLDDIRFUZGCPN-FUHWJXTLSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947615829 1333193834 /nfs/dbraw/zinc/19/38/34/1333193834.db2.gz LSMACOHJKQDSEK-SJLPKXTDSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC000947616004 1333193979 /nfs/dbraw/zinc/19/39/79/1333193979.db2.gz NRRCIFJVCCDPKI-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947775516 1333257612 /nfs/dbraw/zinc/25/76/12/1333257612.db2.gz OJMKAXWKDXSVTH-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C/C=C\Cl ZINC000947799627 1333265091 /nfs/dbraw/zinc/26/50/91/1333265091.db2.gz CAZMCHZKWKLUEW-YWEIOQIGSA-N 2 0 349.906 3.083 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947800189 1333265356 /nfs/dbraw/zinc/26/53/56/1333265356.db2.gz GPTCYAFRHJNUTL-PXNSSMCTSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948435695 1333523507 /nfs/dbraw/zinc/52/35/07/1333523507.db2.gz NZGWNQSDSLBJCW-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439577 1333526253 /nfs/dbraw/zinc/52/62/53/1333526253.db2.gz SBUOJUHTTAGHDV-QUCCMNQESA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948439971 1333526345 /nfs/dbraw/zinc/52/63/45/1333526345.db2.gz XWGFNWJPZZRFRC-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948553665 1333572406 /nfs/dbraw/zinc/57/24/06/1333572406.db2.gz JYUSQDKCODDWDI-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553569 1333572585 /nfs/dbraw/zinc/57/25/85/1333572585.db2.gz ITXNIVRWGGBUEH-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000948620038 1333599598 /nfs/dbraw/zinc/59/95/98/1333599598.db2.gz BDCXSXHKQMHYOQ-HQOGMNCSSA-N 2 0 346.862 3.013 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948634292 1333604660 /nfs/dbraw/zinc/60/46/60/1333604660.db2.gz VBSLRVXVTDCGGD-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948711874 1333643207 /nfs/dbraw/zinc/64/32/07/1333643207.db2.gz VKLQBVZXILYEJW-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948775518 1333674483 /nfs/dbraw/zinc/67/44/83/1333674483.db2.gz KIOFNDJSODASOV-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000949801113 1333926549 /nfs/dbraw/zinc/92/65/49/1333926549.db2.gz NGZQUGSAZSJASF-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CCC(C)(C)C)C2)C1 ZINC000951213462 1334209620 /nfs/dbraw/zinc/20/96/20/1334209620.db2.gz WXPBCRJLHRPEKH-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CCC3CCCC3)C2)C1 ZINC000951214567 1334210113 /nfs/dbraw/zinc/21/01/13/1334210113.db2.gz MBAVHEVNNNSKSG-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951628492 1334281210 /nfs/dbraw/zinc/28/12/10/1334281210.db2.gz SNOPHTPFOQNZNG-VQTJNVASSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327993 1335891187 /nfs/dbraw/zinc/89/11/87/1335891187.db2.gz VRGXALJNCYYMCT-XLIONFOSSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@H]1CC[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968386799 1335914790 /nfs/dbraw/zinc/91/47/90/1335914790.db2.gz PPXDLUMEXPPJIB-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)c1ccccc1 ZINC000968673323 1336005012 /nfs/dbraw/zinc/00/50/12/1336005012.db2.gz UPJYEBVGLARJJK-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C)o1 ZINC000968688697 1336012258 /nfs/dbraw/zinc/01/22/58/1336012258.db2.gz NHYHZFCKIABTIZ-FUHWJXTLSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856145 1336069556 /nfs/dbraw/zinc/06/95/56/1336069556.db2.gz FKFQEFIZCMAWLY-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@@H]1CCCCC[N@@H+]1CC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888582 1336080339 /nfs/dbraw/zinc/08/03/39/1336080339.db2.gz VZDIGJKVYOHOGL-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000968915696 1336087227 /nfs/dbraw/zinc/08/72/27/1336087227.db2.gz NTYRLEWXXPPRBG-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968915295 1336087360 /nfs/dbraw/zinc/08/73/60/1336087360.db2.gz HEPGKDPACFIXQD-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968928553 1336093204 /nfs/dbraw/zinc/09/32/04/1336093204.db2.gz NVVDWFLEDGRKLH-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936452 1336095846 /nfs/dbraw/zinc/09/58/46/1336095846.db2.gz IGKQMYLEWTXZEV-FUHWJXTLSA-N 2 0 342.487 3.355 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC000970718989 1336335517 /nfs/dbraw/zinc/33/55/17/1336335517.db2.gz NWCOPBDRMRXPLP-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000970717950 1336335563 /nfs/dbraw/zinc/33/55/63/1336335563.db2.gz PJUQQMSYPJRRFR-MSOLQXFVSA-N 2 0 349.906 3.077 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005504942 1336363530 /nfs/dbraw/zinc/36/35/30/1336363530.db2.gz VSOQWVRFLNALPX-IBGZPJMESA-N 2 0 335.536 3.116 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001005504504 1336363541 /nfs/dbraw/zinc/36/35/41/1336363541.db2.gz SFECZVPFBPPYSX-HXUWFJFHSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005593701 1336376921 /nfs/dbraw/zinc/37/69/21/1336376921.db2.gz SFMNLQNBFAFEDY-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005935292 1336425772 /nfs/dbraw/zinc/42/57/72/1336425772.db2.gz QXQGRFHABDEJDI-KRWDZBQOSA-N 2 0 343.515 3.012 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001006091891 1336451147 /nfs/dbraw/zinc/45/11/47/1336451147.db2.gz OGXFGFFMRUTOCM-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007457762 1336650936 /nfs/dbraw/zinc/65/09/36/1336650936.db2.gz RQRYIBBQNZPUHR-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001007498043 1336657567 /nfs/dbraw/zinc/65/75/67/1336657567.db2.gz YSEKXXBBWGLRQK-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001007495480 1336657582 /nfs/dbraw/zinc/65/75/82/1336657582.db2.gz JURMWEVMCOHUIP-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001008161852 1336782309 /nfs/dbraw/zinc/78/23/09/1336782309.db2.gz IHGWQVGVZFHSKX-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001008278265 1336812775 /nfs/dbraw/zinc/81/27/75/1336812775.db2.gz WUQGCAWSGDKCCQ-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001008312938 1336821140 /nfs/dbraw/zinc/82/11/40/1336821140.db2.gz LERQQXGISGIATB-IHPCNDPISA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001008746903 1336919369 /nfs/dbraw/zinc/91/93/69/1336919369.db2.gz KOQDBYXTPLWKFI-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008978145 1336951164 /nfs/dbraw/zinc/95/11/64/1336951164.db2.gz DNEYEUZJTBCLFE-QUCCMNQESA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001009634001 1337050195 /nfs/dbraw/zinc/05/01/95/1337050195.db2.gz IAUFVXVOMRIVHR-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014414528 1337770535 /nfs/dbraw/zinc/77/05/35/1337770535.db2.gz OXCSUVOYBKBBIS-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015110540 1338022613 /nfs/dbraw/zinc/02/26/13/1338022613.db2.gz UXHFEBBLJFVQPF-ICSRJNTNSA-N 2 0 348.450 3.290 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015291999 1338087232 /nfs/dbraw/zinc/08/72/32/1338087232.db2.gz XSAVBPDFGXYROT-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015386417 1338119808 /nfs/dbraw/zinc/11/98/08/1338119808.db2.gz HJZKFYNJQWKQDB-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015791145 1338311144 /nfs/dbraw/zinc/31/11/44/1338311144.db2.gz BDUKRUYGWDGZIR-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015791682 1338312653 /nfs/dbraw/zinc/31/26/53/1338312653.db2.gz KHZMTDXAGNGLPG-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001015930770 1338363345 /nfs/dbraw/zinc/36/33/45/1338363345.db2.gz VFJROQTUDJUPMO-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001015971590 1338385153 /nfs/dbraw/zinc/38/51/53/1338385153.db2.gz BRLVOONWGRQQAH-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016644236 1338674870 /nfs/dbraw/zinc/67/48/70/1338674870.db2.gz YAJKLQDGHIFQOF-MRXNPFEDSA-N 2 0 349.544 3.050 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCC(C)C)CC3)C1 ZINC001016788808 1338728130 /nfs/dbraw/zinc/72/81/30/1338728130.db2.gz DOLJBSWZMMENAR-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016862639 1338751358 /nfs/dbraw/zinc/75/13/58/1338751358.db2.gz HDFXGBDQKNOTMI-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017153360 1338903817 /nfs/dbraw/zinc/90/38/17/1338903817.db2.gz DRLIJPLPXQXPJH-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001017266263 1338991942 /nfs/dbraw/zinc/99/19/42/1338991942.db2.gz LWIKSYLULBOHKP-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001028087828 1340418194 /nfs/dbraw/zinc/41/81/94/1340418194.db2.gz AIJFZTXWYBSEAX-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001028089376 1340418665 /nfs/dbraw/zinc/41/86/65/1340418665.db2.gz ZXHFUPUTJFNJAP-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001028181045 1340471109 /nfs/dbraw/zinc/47/11/09/1340471109.db2.gz MKRPAVRDFILRII-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254426 1340515571 /nfs/dbraw/zinc/51/55/71/1340515571.db2.gz UUBYPDMWKQCDCS-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)c1 ZINC001028333378 1340571293 /nfs/dbraw/zinc/57/12/93/1340571293.db2.gz LKDSSSWDROIABZ-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028333781 1340571496 /nfs/dbraw/zinc/57/14/96/1340571496.db2.gz QZZCTGZWXKFZPX-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001028335277 1340572958 /nfs/dbraw/zinc/57/29/58/1340572958.db2.gz REARZDSLCOFSKL-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028537701 1340693056 /nfs/dbraw/zinc/69/30/56/1340693056.db2.gz QJXKEZCPSRAUSM-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001028636278 1340737511 /nfs/dbraw/zinc/73/75/11/1340737511.db2.gz NQYVLJMNJXSFPZ-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001028754516 1340790696 /nfs/dbraw/zinc/79/06/96/1340790696.db2.gz GFBCMMQUQIZZCR-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029163881 1340946162 /nfs/dbraw/zinc/94/61/62/1340946162.db2.gz COGDAAYAUAKDNQ-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001029164420 1340946241 /nfs/dbraw/zinc/94/62/41/1340946241.db2.gz JRJOJHUUOIEDTA-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([C@@H](C)[NH2+]C(C)C)CC2)o1 ZINC001029174711 1340948976 /nfs/dbraw/zinc/94/89/76/1340948976.db2.gz HCDPDFVWIWSENI-MRXNPFEDSA-N 2 0 349.519 3.360 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029345512 1340974893 /nfs/dbraw/zinc/97/48/93/1340974893.db2.gz YJYGARXDNMMNDL-AQNXPRMDSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001029356926 1340976550 /nfs/dbraw/zinc/97/65/50/1340976550.db2.gz XIJYOSSSCGODML-CEXWTWQISA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001029550739 1341010740 /nfs/dbraw/zinc/01/07/40/1341010740.db2.gz WOZPNJOWGSCIFC-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674135 1341039741 /nfs/dbraw/zinc/03/97/41/1341039741.db2.gz CQMIKLYSSYGGAK-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029739479 1341059242 /nfs/dbraw/zinc/05/92/42/1341059242.db2.gz JKTQIWPNBYTYSS-IEBWSBKVSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029759070 1341064715 /nfs/dbraw/zinc/06/47/15/1341064715.db2.gz KPLWBSQEBZNFEU-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001029910430 1341113570 /nfs/dbraw/zinc/11/35/70/1341113570.db2.gz LBKMBLWVXKIBHO-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH+](C)CC3CCCCC3)CC2)C1 ZINC001029995676 1341151284 /nfs/dbraw/zinc/15/12/84/1341151284.db2.gz UVKUQTXIARRBKR-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001030020893 1341159846 /nfs/dbraw/zinc/15/98/46/1341159846.db2.gz IDPKLACKJBVZIV-CMKODMSKSA-N 2 0 345.531 3.223 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001030020934 1341159866 /nfs/dbraw/zinc/15/98/66/1341159866.db2.gz YTBJXYDLLWDBBJ-TXPKVOOTSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030442011 1341187679 /nfs/dbraw/zinc/18/76/79/1341187679.db2.gz KEUFHLWERJGNNH-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(NC1C[NH+](CC2CCCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001030833632 1341232693 /nfs/dbraw/zinc/23/26/93/1341232693.db2.gz ZMWREZTZCYXUEC-HXUWFJFHSA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCCCC2)C1 ZINC001031236575 1341301666 /nfs/dbraw/zinc/30/16/66/1341301666.db2.gz DSZKAFFVPKRNJA-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042549 1341444057 /nfs/dbraw/zinc/44/40/57/1341444057.db2.gz DJZJVVRGDSFYIJ-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032445722 1341511775 /nfs/dbraw/zinc/51/17/75/1341511775.db2.gz OKZXMPODPSMIBA-UFYCRDLUSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001032626449 1341564784 /nfs/dbraw/zinc/56/47/84/1341564784.db2.gz GEXYPIWCGSNKDN-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033392992 1341810428 /nfs/dbraw/zinc/81/04/28/1341810428.db2.gz CUFCJQWZSLFNTP-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001033466632 1341837056 /nfs/dbraw/zinc/83/70/56/1341837056.db2.gz HATJBHZZXMAUEB-AEFFLSMTSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467858 1341837701 /nfs/dbraw/zinc/83/77/01/1341837701.db2.gz RQZLDHKBONCYCP-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001033530456 1341860229 /nfs/dbraw/zinc/86/02/29/1341860229.db2.gz BCSOJCFRHNHLTO-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CCC3CC3)C2)o1 ZINC001033696949 1341964136 /nfs/dbraw/zinc/96/41/36/1341964136.db2.gz ADVQAGZOEHWFGN-QGZVFWFLSA-N 2 0 347.503 3.068 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033834334 1342034132 /nfs/dbraw/zinc/03/41/32/1342034132.db2.gz OOMNBAQTKKCLFR-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](F)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989629 1342133596 /nfs/dbraw/zinc/13/35/96/1342133596.db2.gz MSDXQODNVWYKFL-RBUKOAKNSA-N 2 0 349.494 3.033 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045542 1342186213 /nfs/dbraw/zinc/18/62/13/1342186213.db2.gz KVCMTFMZPIVZFN-PXNSSMCTSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001034211499 1342320787 /nfs/dbraw/zinc/32/07/87/1342320787.db2.gz NKZVBXOGGZOSLK-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211053 1342321022 /nfs/dbraw/zinc/32/10/22/1342321022.db2.gz LEURAWQOVFDIHX-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001034216713 1342323401 /nfs/dbraw/zinc/32/34/01/1342323401.db2.gz KBNLZTICVKTKIZ-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001034216976 1342323554 /nfs/dbraw/zinc/32/35/54/1342323554.db2.gz MQPYFSBVSAVJBP-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034248566 1342347056 /nfs/dbraw/zinc/34/70/56/1342347056.db2.gz DLZQCVRBTLKBCU-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258544 1342351870 /nfs/dbraw/zinc/35/18/70/1342351870.db2.gz YXZQLQQHJCMGJI-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034400915 1342466615 /nfs/dbraw/zinc/46/66/15/1342466615.db2.gz YQUAHGHQRXCZMJ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001034437033 1342499294 /nfs/dbraw/zinc/49/92/94/1342499294.db2.gz CUNKFBDUOXWBMS-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034436769 1342499564 /nfs/dbraw/zinc/49/95/64/1342499564.db2.gz CGNVVJVLSVVVNH-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CCC3CC3)C2)cc1 ZINC001034444939 1342505184 /nfs/dbraw/zinc/50/51/84/1342505184.db2.gz NPVMHMVMQKGBMT-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474548 1342529699 /nfs/dbraw/zinc/52/96/99/1342529699.db2.gz LQXYNXYMDUWBJI-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034491857 1342548382 /nfs/dbraw/zinc/54/83/82/1342548382.db2.gz ZEHPKEIIXBVWFC-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525204 1342582709 /nfs/dbraw/zinc/58/27/09/1342582709.db2.gz KCMWCWQQVZAUKO-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034528476 1342585524 /nfs/dbraw/zinc/58/55/24/1342585524.db2.gz NKWCMRKIZGQKOT-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ccccc1 ZINC001034648324 1342669563 /nfs/dbraw/zinc/66/95/63/1342669563.db2.gz DKFNOTWPSXEETM-YKXHTNLXSA-N 2 0 343.515 3.105 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001034649794 1342669983 /nfs/dbraw/zinc/66/99/83/1342669983.db2.gz UQPMFIXPYMMYSO-LWYYNNOASA-N 2 0 347.547 3.234 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034674305 1342685959 /nfs/dbraw/zinc/68/59/59/1342685959.db2.gz LQEJHJZGNGDEAA-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1ccccc1 ZINC001034738881 1342729742 /nfs/dbraw/zinc/72/97/42/1342729742.db2.gz XGHNJQLKMIJKKE-HNBVOPMISA-N 2 0 343.515 3.249 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001034775481 1342753304 /nfs/dbraw/zinc/75/33/04/1342753304.db2.gz ASDJVFNERKTPHO-HNBVOPMISA-N 2 0 343.515 3.106 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]C(C)C)CC2)o1 ZINC001034800922 1342766289 /nfs/dbraw/zinc/76/62/89/1342766289.db2.gz JOJVRYKHTIKHKW-WKILWMFISA-N 2 0 335.492 3.160 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034958114 1342852565 /nfs/dbraw/zinc/85/25/65/1342852565.db2.gz AHFSNRYHOLHBJB-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034959061 1342853183 /nfs/dbraw/zinc/85/31/83/1342853183.db2.gz QBLAWKOHJCTMCZ-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1)[NH+](C)C ZINC001035196605 1343009486 /nfs/dbraw/zinc/00/94/86/1343009486.db2.gz ABNGGNAASAGJQN-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1)[NH+](C)C ZINC001035229694 1343050852 /nfs/dbraw/zinc/05/08/52/1343050852.db2.gz XOCHNOGQQSYEIA-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035259960 1343086706 /nfs/dbraw/zinc/08/67/06/1343086706.db2.gz KGTNPSJSKIJDBF-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035259962 1343087138 /nfs/dbraw/zinc/08/71/38/1343087138.db2.gz KGTNPSJSKIJDBF-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810969 1343210846 /nfs/dbraw/zinc/21/08/46/1343210846.db2.gz ZMBXCRFVDHUFMB-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035857577 1343234009 /nfs/dbraw/zinc/23/40/09/1343234009.db2.gz WQMZUCVFLCEBIJ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035858612 1343235260 /nfs/dbraw/zinc/23/52/60/1343235260.db2.gz WTCYTELWHJTPGZ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H](C)C2)CC1 ZINC001036232620 1343371517 /nfs/dbraw/zinc/37/15/17/1343371517.db2.gz UZHXFASDPLQIRQ-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036310541 1343412944 /nfs/dbraw/zinc/41/29/44/1343412944.db2.gz KEBJRUWBEBHCCT-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001036448260 1343493488 /nfs/dbraw/zinc/49/34/88/1343493488.db2.gz BCBXOCCOCUNWIV-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036556726 1343552545 /nfs/dbraw/zinc/55/25/45/1343552545.db2.gz QQDQVAYEZPLZPI-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001036587689 1343565688 /nfs/dbraw/zinc/56/56/88/1343565688.db2.gz KTPRCNQSBSHRGX-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793416 1343725363 /nfs/dbraw/zinc/72/53/63/1343725363.db2.gz DZZBNZLLUUWEDD-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854591 1343788654 /nfs/dbraw/zinc/78/86/54/1343788654.db2.gz NXMVLGFEDSQCLR-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037906820 1344171271 /nfs/dbraw/zinc/17/12/71/1344171271.db2.gz UQZISPZNRNALIZ-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038241021 1344339709 /nfs/dbraw/zinc/33/97/09/1344339709.db2.gz SBBOHPLZDQXJBA-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCC1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520994 1344464029 /nfs/dbraw/zinc/46/40/29/1344464029.db2.gz UCPYTXGGGCMKLI-LJQANCHMSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039133897 1344812454 /nfs/dbraw/zinc/81/24/54/1344812454.db2.gz LXOFIJVBIXKRTI-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137480 1344817503 /nfs/dbraw/zinc/81/75/03/1344817503.db2.gz HFZBQNHMFKSYCQ-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159241 1344843812 /nfs/dbraw/zinc/84/38/12/1344843812.db2.gz IDCGEXXHUVYPOU-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241852 1344967981 /nfs/dbraw/zinc/96/79/81/1344967981.db2.gz JMFNEQFOMBMLSR-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039313546 1345009260 /nfs/dbraw/zinc/00/92/60/1345009260.db2.gz AINKKZVNQCRURT-IPQPSQTFSA-N 2 0 335.536 3.017 20 0 EGADRP C[NH+]1CCC(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC1 ZINC001039939385 1345252836 /nfs/dbraw/zinc/25/28/36/1345252836.db2.gz JCSPJCWIDHSOLE-KDURUIRLSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240047 1345389907 /nfs/dbraw/zinc/38/99/07/1345389907.db2.gz CFCZCCVTNSXJSX-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040242178 1345392999 /nfs/dbraw/zinc/39/29/99/1345392999.db2.gz WZDQBKNGQCKJDC-FPOVZHCZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463234 1345510077 /nfs/dbraw/zinc/51/00/77/1345510077.db2.gz FSMJLRKFQKMYLE-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492868 1345519128 /nfs/dbraw/zinc/51/91/28/1345519128.db2.gz GEOBDFJUJMMXRI-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040544818 1345539487 /nfs/dbraw/zinc/53/94/87/1345539487.db2.gz KFHKZEKMZBOHBI-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040708017 1345568245 /nfs/dbraw/zinc/56/82/45/1345568245.db2.gz NVCXMFSBLTYNBF-GBESFXJTSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040721965 1345570452 /nfs/dbraw/zinc/57/04/52/1345570452.db2.gz HDBPLFRTKLXNPH-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2)[NH+](C)C ZINC001040852544 1345588289 /nfs/dbraw/zinc/58/82/89/1345588289.db2.gz AMHYATMLMLSKHN-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCC)CC2 ZINC001040912100 1345598603 /nfs/dbraw/zinc/59/86/03/1345598603.db2.gz KLULWPZMIIJTOH-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357746 1345709876 /nfs/dbraw/zinc/70/98/76/1345709876.db2.gz INMMGTGBGKEMJU-PZJWPPBQSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCCC3)C2)C1)[NH+](C)C ZINC001041403269 1345719025 /nfs/dbraw/zinc/71/90/25/1345719025.db2.gz OFADFPMZSSJNNY-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCC(C)C)C3)C2)C1 ZINC001041587758 1345783588 /nfs/dbraw/zinc/78/35/88/1345783588.db2.gz RULQTQPMEGYFEA-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845462 1345871606 /nfs/dbraw/zinc/87/16/06/1345871606.db2.gz DKTVUIILULUPGO-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C(C)C)C3)C2)o1 ZINC001041852463 1345873790 /nfs/dbraw/zinc/87/37/90/1345873790.db2.gz UHDSRNYGSAWXOW-HXUWFJFHSA-N 2 0 347.503 3.068 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233078 1345998404 /nfs/dbraw/zinc/99/84/04/1345998404.db2.gz CJGAJMUYJFNQCD-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1C[NH+](CCC2CCCC2)C1 ZINC001044334451 1346301218 /nfs/dbraw/zinc/30/12/18/1346301218.db2.gz NJTHTIXBXPBCTJ-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044743013 1346418662 /nfs/dbraw/zinc/41/86/62/1346418662.db2.gz JTGRWQFHOCTFDE-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001044745399 1346418832 /nfs/dbraw/zinc/41/88/32/1346418832.db2.gz VIECIOFMBKMCPK-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045075682 1346490293 /nfs/dbraw/zinc/49/02/93/1346490293.db2.gz FBPQRFUARYHXFY-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001045202864 1346529266 /nfs/dbraw/zinc/52/92/66/1346529266.db2.gz ZWROUGKHLGWTBM-MJGOQNOKSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045528927 1346618098 /nfs/dbraw/zinc/61/80/98/1346618098.db2.gz IRWQBOBHZIDWAF-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045557779 1346628736 /nfs/dbraw/zinc/62/87/36/1346628736.db2.gz VKRWKAYBTKSWNC-HKUYNNGSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045557782 1346628780 /nfs/dbraw/zinc/62/87/80/1346628780.db2.gz VKRWKAYBTKSWNC-PKOBYXMFSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045557505 1346628882 /nfs/dbraw/zinc/62/88/82/1346628882.db2.gz MXPUNYXSEPAZMR-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001045876418 1346728921 /nfs/dbraw/zinc/72/89/21/1346728921.db2.gz JYTDUXTULQXERK-QYZOEREBSA-N 2 0 335.536 3.115 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949317 1346783956 /nfs/dbraw/zinc/78/39/56/1346783956.db2.gz DHELIBLZKSZPTD-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980166 1346817152 /nfs/dbraw/zinc/81/71/52/1346817152.db2.gz SFACSXHYPZFDDX-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046198584 1346885972 /nfs/dbraw/zinc/88/59/72/1346885972.db2.gz VXXNXUPKTCNNBA-UYAOXDASSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046316021 1346931098 /nfs/dbraw/zinc/93/10/98/1346931098.db2.gz MHBXAOVNOBGYLP-FPOVZHCZSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046316935 1346932325 /nfs/dbraw/zinc/93/23/25/1346932325.db2.gz CPWKBENOTCENGL-FXAWDEMLSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319827 1346933853 /nfs/dbraw/zinc/93/38/53/1346933853.db2.gz XCMRJTAJGNEMDM-GHTZIAJQSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483465 1346990446 /nfs/dbraw/zinc/99/04/46/1346990446.db2.gz AXAHVZKYFSEUDE-OAQYLSRUSA-N 2 0 348.450 3.037 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001046570334 1347022111 /nfs/dbraw/zinc/02/21/11/1347022111.db2.gz ZDSHNADRTRXNRS-HFSMHLIXSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CCCC1)C2 ZINC001047201845 1347241300 /nfs/dbraw/zinc/24/13/00/1347241300.db2.gz VAQVNNDXJPULKX-UFYCRDLUSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047961219 1347425447 /nfs/dbraw/zinc/42/54/47/1347425447.db2.gz ZFRJUIHDUWAZRG-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047971200 1347429161 /nfs/dbraw/zinc/42/91/61/1347429161.db2.gz CIEUWWRGFDJDNG-HKUYNNGSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048069339 1347458831 /nfs/dbraw/zinc/45/88/31/1347458831.db2.gz PLWXVIPUFVVHON-ICSRJNTNSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@H]2C)CC[N@@H+]1C ZINC001079730892 1357360577 /nfs/dbraw/zinc/36/05/77/1357360577.db2.gz UUAXHKCLJCIUHO-GSEOLPGOSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001049532717 1347894916 /nfs/dbraw/zinc/89/49/16/1347894916.db2.gz JNMVWVYNHIRHDV-AQNXPRMDSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049533041 1347895257 /nfs/dbraw/zinc/89/52/57/1347895257.db2.gz LXKGBBOBAYZDQJ-KSZLIROESA-N 2 0 337.552 3.074 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572665 1347915768 /nfs/dbraw/zinc/91/57/68/1347915768.db2.gz MRTMSIGXOBEAEW-IPELMVKDSA-N 2 0 340.471 3.059 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595027 1347928444 /nfs/dbraw/zinc/92/84/44/1347928444.db2.gz RHASPETWKPIBAM-IPELMVKDSA-N 2 0 340.471 3.059 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049654511 1347957550 /nfs/dbraw/zinc/95/75/50/1347957550.db2.gz JGFQTXNZTMZMFH-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049760660 1348005475 /nfs/dbraw/zinc/00/54/75/1348005475.db2.gz APBDAYFUPLDSKD-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049837444 1348050301 /nfs/dbraw/zinc/05/03/01/1348050301.db2.gz PQOQSARRVHKVPL-XUVXKRRUSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049912860 1348108439 /nfs/dbraw/zinc/10/84/39/1348108439.db2.gz PHQIVNDSOHYXOS-WOJBJXKFSA-N 2 0 343.515 3.227 20 0 EGADRP CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926665 1348117633 /nfs/dbraw/zinc/11/76/33/1348117633.db2.gz QKXSCIBMEZLZCE-MSOLQXFVSA-N 2 0 347.503 3.210 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc([C@H](C)[NH2+]CC)cc2)C1 ZINC001050269948 1348223747 /nfs/dbraw/zinc/22/37/47/1348223747.db2.gz KLIQLBYYLLAWNC-QFBILLFUSA-N 2 0 331.504 3.095 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050331159 1348229201 /nfs/dbraw/zinc/22/92/01/1348229201.db2.gz GERRUDGFNFNLSU-TZCBXBLLSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001050332177 1348229539 /nfs/dbraw/zinc/22/95/39/1348229539.db2.gz GRJSBYDBZLCTNI-BJLQDIEVSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001050367155 1348240589 /nfs/dbraw/zinc/24/05/89/1348240589.db2.gz FGTBXQQBWOGFNV-ZHALLVOQSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001051348549 1348439668 /nfs/dbraw/zinc/43/96/68/1348439668.db2.gz MDSWIJMEKLTSIU-DFQSSKMNSA-N 2 0 343.515 3.121 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001051349815 1348439783 /nfs/dbraw/zinc/43/97/83/1348439783.db2.gz QDYPDOHUGPNREG-TUNPWDSISA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cs1 ZINC001052498960 1348559731 /nfs/dbraw/zinc/55/97/31/1348559731.db2.gz LOTPIUGWUTWTQQ-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515202 1348563987 /nfs/dbraw/zinc/56/39/87/1348563987.db2.gz BHGYRHRQPQIQKL-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527254 1348566580 /nfs/dbraw/zinc/56/65/80/1348566580.db2.gz VFAVRPHMAHRPAL-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001052562587 1348580444 /nfs/dbraw/zinc/58/04/44/1348580444.db2.gz VWLUWCVNFROOFT-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953658 1348768786 /nfs/dbraw/zinc/76/87/86/1348768786.db2.gz FDHQZNQKYCLBBY-QFBILLFUSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958349 1348771820 /nfs/dbraw/zinc/77/18/20/1348771820.db2.gz MAAJJQFZFWHNRW-IBGZPJMESA-N 2 0 343.515 3.299 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053102867 1348936502 /nfs/dbraw/zinc/93/65/02/1348936502.db2.gz WPBGDTCQEWLBEL-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142495 1349152958 /nfs/dbraw/zinc/15/29/58/1349152958.db2.gz CZDZEJALNWVKAX-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197750 1349200262 /nfs/dbraw/zinc/20/02/62/1349200262.db2.gz HSBBIGPUKYFZKY-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001054198891 1349200906 /nfs/dbraw/zinc/20/09/06/1349200906.db2.gz IVYVJWATMPWCKC-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209489 1349210667 /nfs/dbraw/zinc/21/06/67/1349210667.db2.gz REMXKGQSMJHSEW-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C(C)C)C2)C1)[NH+]1CCCCC1 ZINC001054244819 1349238708 /nfs/dbraw/zinc/23/87/08/1349238708.db2.gz IWVSEWCQRIKGHI-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)cc2C1 ZINC001054268702 1349266478 /nfs/dbraw/zinc/26/64/78/1349266478.db2.gz UQAHDMXBLLSTNP-IBGZPJMESA-N 2 0 343.515 3.006 20 0 EGADRP Cc1c(C(=O)NCc2ccc3c(c2)C[N@H+](C(C)C)C3)ccc2c[nH+]cn21 ZINC001054271449 1349271215 /nfs/dbraw/zinc/27/12/15/1349271215.db2.gz OUJMSIXLVNOYGD-UHFFFAOYSA-N 2 0 348.450 3.297 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)C[NH+](C(C)C)C3)C1 ZINC001054277946 1349278275 /nfs/dbraw/zinc/27/82/75/1349278275.db2.gz FGNDDGSYYLDCJH-IBGZPJMESA-N 2 0 343.515 3.149 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001054296826 1349302072 /nfs/dbraw/zinc/30/20/72/1349302072.db2.gz ULYODRITZQCGRP-ZTFGCOKTSA-N 2 0 349.906 3.076 20 0 EGADRP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011552 1357458727 /nfs/dbraw/zinc/45/87/27/1357458727.db2.gz DPGJBWICLCWJOQ-RDTXWAMCSA-N 2 0 342.487 3.129 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554381 1357676586 /nfs/dbraw/zinc/67/65/86/1357676586.db2.gz NOJSOWNROBGBIW-ZIFCJYIRSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC001080700114 1357723169 /nfs/dbraw/zinc/72/31/69/1357723169.db2.gz MQYDFDDXHAXORB-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCC1CCCCC1 ZINC001071794792 1354940263 /nfs/dbraw/zinc/94/02/63/1354940263.db2.gz FQBOUUZNOUNEDF-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001072793884 1355441315 /nfs/dbraw/zinc/44/13/15/1355441315.db2.gz ZNFGLPALWTYINQ-HNNXBMFYSA-N 2 0 349.544 3.004 20 0 EGADRP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC1CCCCC1)C2)[NH+](C)C ZINC001072955406 1355520762 /nfs/dbraw/zinc/52/07/62/1355520762.db2.gz IZQQRANBSKVAPX-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)C2 ZINC001073116347 1355605671 /nfs/dbraw/zinc/60/56/71/1355605671.db2.gz LYLVQRDJPPMBPN-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001074015696 1356036096 /nfs/dbraw/zinc/03/60/96/1356036096.db2.gz LBKPGMICPHGZQZ-AZUAARDMSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001074060407 1356059644 /nfs/dbraw/zinc/05/96/44/1356059644.db2.gz OMOUGZWRSFXMIS-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001074092127 1356077833 /nfs/dbraw/zinc/07/78/33/1356077833.db2.gz WJERFVBGLPHLHJ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001074648530 1356221100 /nfs/dbraw/zinc/22/11/00/1356221100.db2.gz CXNQWBQOWDVCJQ-WDSOQIARSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001074885392 1356279455 /nfs/dbraw/zinc/27/94/55/1356279455.db2.gz AZDKMKSZYDCKCN-NQYYFHDYSA-N 2 0 331.504 3.057 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C)c1ccc(F)cc1 ZINC001074885466 1356279733 /nfs/dbraw/zinc/27/97/33/1356279733.db2.gz FOSWXYNJOUUCMC-QZHFEQFPSA-N 2 0 349.494 3.196 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001075128999 1356321466 /nfs/dbraw/zinc/32/14/66/1356321466.db2.gz NRMUNEDPIJSSOV-PCODVIEZSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448311 1356380964 /nfs/dbraw/zinc/38/09/64/1356380964.db2.gz SXMSSSZVPJLRQY-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461521 1356394795 /nfs/dbraw/zinc/39/47/95/1356394795.db2.gz JZQJAWUUQXHZSD-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461541 1356394815 /nfs/dbraw/zinc/39/48/15/1356394815.db2.gz KQCANQJXTVCDGQ-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881211 1356438024 /nfs/dbraw/zinc/43/80/24/1356438024.db2.gz IMGFOBQPRPZZLW-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183275919 1387289616 /nfs/dbraw/zinc/28/96/16/1387289616.db2.gz QUXJCKYKKUKXFO-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001323147565 1387302637 /nfs/dbraw/zinc/30/26/37/1387302637.db2.gz GMEUYKPREMEKAV-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082943347 1358106659 /nfs/dbraw/zinc/10/66/59/1358106659.db2.gz FGPPEHAOECKXFM-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001183496093 1387313403 /nfs/dbraw/zinc/31/34/03/1387313403.db2.gz FMOKOIXGISCNQY-HFYBBEMZSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001183562921 1387319338 /nfs/dbraw/zinc/31/93/38/1387319338.db2.gz NHBLGYOUNRNNAN-UYAOXDASSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCC(C)C)[C@H]3C2)C1 ZINC001085014347 1358368044 /nfs/dbraw/zinc/36/80/44/1358368044.db2.gz XILSIACESOPCOW-AABGKKOBSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072663 1358383506 /nfs/dbraw/zinc/38/35/06/1358383506.db2.gz NNFQNAZVHXKIPD-AABGKKOBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001085198977 1358431452 /nfs/dbraw/zinc/43/14/52/1358431452.db2.gz RICOCYNQEKHVIH-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCC2)CC[N@@H+]1C ZINC001085204689 1358433109 /nfs/dbraw/zinc/43/31/09/1358433109.db2.gz DXSFPLKRWWVRSR-MTQWCTHYSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085214530 1358435514 /nfs/dbraw/zinc/43/55/14/1358435514.db2.gz DQSZXEFYRBNOBG-IAGOWNOFSA-N 2 0 349.544 3.240 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085313458 1358462688 /nfs/dbraw/zinc/46/26/88/1358462688.db2.gz YHNNXCCECIJVAD-QZTJIDSGSA-N 2 0 347.503 3.162 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085432933 1358498559 /nfs/dbraw/zinc/49/85/59/1358498559.db2.gz XLZCIZHUWXBOCD-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCCC2)CC[N@@H+]1C ZINC001085603925 1358626535 /nfs/dbraw/zinc/62/65/35/1358626535.db2.gz RMISOGFTFWLMSJ-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085629430 1358647032 /nfs/dbraw/zinc/64/70/32/1358647032.db2.gz UDIKGFBXUOZCAG-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086084801 1358992086 /nfs/dbraw/zinc/99/20/86/1358992086.db2.gz GSGXMBDJKHNYJN-IZBJGVDFSA-N 2 0 343.515 3.105 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001086118450 1359001323 /nfs/dbraw/zinc/00/13/23/1359001323.db2.gz AGLVOUGKYLIKEH-YRPNKDGESA-N 2 0 347.547 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001086122437 1359002914 /nfs/dbraw/zinc/00/29/14/1359002914.db2.gz KXYAILXAQHAKQJ-OTWHNJEPSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086175074 1359015472 /nfs/dbraw/zinc/01/54/72/1359015472.db2.gz GCIIJRJBQPLHQX-SLFFLAALSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001086418351 1359092092 /nfs/dbraw/zinc/09/20/92/1359092092.db2.gz MWBFAWLLYVGTRQ-GPMSIDNRSA-N 2 0 348.450 3.194 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086456952 1359102642 /nfs/dbraw/zinc/10/26/42/1359102642.db2.gz CRNXIFQEROHULK-HYJXOMNGSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001086700080 1359187816 /nfs/dbraw/zinc/18/78/16/1359187816.db2.gz WHIWHYUOUHZCAY-GSEOLPGOSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926938 1359251992 /nfs/dbraw/zinc/25/19/92/1359251992.db2.gz ODKRQXFTLZDUHQ-GOSISDBHSA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927989 1359252525 /nfs/dbraw/zinc/25/25/25/1359252525.db2.gz RXARRNTXNBOTKQ-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927401 1359252746 /nfs/dbraw/zinc/25/27/46/1359252746.db2.gz AMCIBMWDNAMRSH-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939654 1359262278 /nfs/dbraw/zinc/26/22/78/1359262278.db2.gz WLZJGOQKNHOBRE-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947448 1359269201 /nfs/dbraw/zinc/26/92/01/1359269201.db2.gz YNGHFMRBKCDRAD-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001087602655 1359550501 /nfs/dbraw/zinc/55/05/01/1359550501.db2.gz YIYWFYHRTMUFDZ-XUVXKRRUSA-N 2 0 347.547 3.329 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1=CCCCC1 ZINC001087728002 1359613620 /nfs/dbraw/zinc/61/36/20/1359613620.db2.gz XIASQTNKHKVUBA-RBUKOAKNSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1CC1CC(C)C1 ZINC001087781661 1359640816 /nfs/dbraw/zinc/64/08/16/1359640816.db2.gz WYVHDUWBQBNBNJ-ZYKFHVCXSA-N 2 0 349.563 3.122 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001088327018 1359831500 /nfs/dbraw/zinc/83/15/00/1359831500.db2.gz DCUKQZWKXOWTHF-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001088356722 1359840920 /nfs/dbraw/zinc/84/09/20/1359840920.db2.gz IRFFHZVRWHLAAY-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088382020 1359864691 /nfs/dbraw/zinc/86/46/91/1359864691.db2.gz RYEZDECRYFIZPC-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088382026 1359864764 /nfs/dbraw/zinc/86/47/64/1359864764.db2.gz SFEPSBOUOYZLMY-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413057 1359884363 /nfs/dbraw/zinc/88/43/63/1359884363.db2.gz XAQWOXWEQPYAMP-PZJWPPBQSA-N 2 0 345.531 3.233 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088426013 1359894408 /nfs/dbraw/zinc/89/44/08/1359894408.db2.gz JITCGFUSACCAQY-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001088431440 1359898751 /nfs/dbraw/zinc/89/87/51/1359898751.db2.gz VQYDHZJTNRHKHL-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569446 1359976481 /nfs/dbraw/zinc/97/64/81/1359976481.db2.gz UJOAFOZXQZJFMX-GGPKGHCWSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001088622219 1359993303 /nfs/dbraw/zinc/99/33/03/1359993303.db2.gz LYOWRLVMEWPFDP-NZSAHSFTSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088898877 1360098693 /nfs/dbraw/zinc/09/86/93/1360098693.db2.gz ZQQIZBXAZCWFGS-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CCC(C)(C)C ZINC001088922628 1360103832 /nfs/dbraw/zinc/10/38/32/1360103832.db2.gz VGTYCNABKKZGGX-APWZRJJASA-N 2 0 345.531 3.377 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1C ZINC001088971017 1360120186 /nfs/dbraw/zinc/12/01/86/1360120186.db2.gz XYTVUUVXIVGWHU-NEWSRXKRSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001089060712 1360152905 /nfs/dbraw/zinc/15/29/05/1360152905.db2.gz CPGJOLNXKWOATH-NZSAHSFTSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070659 1360159322 /nfs/dbraw/zinc/15/93/22/1360159322.db2.gz QLWLQNCGUTXWSW-NUJGCVRESA-N 2 0 349.519 3.360 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2=CCCCC2)CC[N@@H+]1C ZINC001089179979 1360230105 /nfs/dbraw/zinc/23/01/05/1360230105.db2.gz IYWJNCMJIJEKGH-YZGWKJHDSA-N 2 0 347.547 3.140 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001089226542 1360267860 /nfs/dbraw/zinc/26/78/60/1360267860.db2.gz IRAPKMSDFGYJRR-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001089227638 1360269197 /nfs/dbraw/zinc/26/91/97/1360269197.db2.gz YXCSAASETDDSFT-FQEVSTJZSA-N 2 0 345.531 3.126 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1)[NH+](C)C ZINC001089228665 1360269784 /nfs/dbraw/zinc/26/97/84/1360269784.db2.gz JGMQSEDQJFOKFY-PMACEKPBSA-N 2 0 345.531 3.148 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089381789 1360384353 /nfs/dbraw/zinc/38/43/53/1360384353.db2.gz NYPKTCYFLQCOFQ-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089399965 1360399624 /nfs/dbraw/zinc/39/96/24/1360399624.db2.gz AEGFWLYMOJFYDV-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488142 1360467745 /nfs/dbraw/zinc/46/77/45/1360467745.db2.gz REJIBEGJKKCZMJ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089639449 1360553200 /nfs/dbraw/zinc/55/32/00/1360553200.db2.gz WELYAVHLNKBLSP-RTBURBONSA-N 2 0 349.563 3.432 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642078 1360555545 /nfs/dbraw/zinc/55/55/45/1360555545.db2.gz ASJZYLGTAOHKTD-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649089 1360561606 /nfs/dbraw/zinc/56/16/06/1360561606.db2.gz AJWZSILVHGQVRT-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CC2)C1 ZINC001089683774 1360589362 /nfs/dbraw/zinc/58/93/62/1360589362.db2.gz FXAQGRIFZIXHNJ-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001089685508 1360591126 /nfs/dbraw/zinc/59/11/26/1360591126.db2.gz DFLPBKBFJXVDOR-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CCCC2)C1 ZINC001089732194 1360636491 /nfs/dbraw/zinc/63/64/91/1360636491.db2.gz OTWBIBMEFYSFOS-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089734859 1360639098 /nfs/dbraw/zinc/63/90/98/1360639098.db2.gz ZFRWZZZBKKOAGT-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001091064776 1360988371 /nfs/dbraw/zinc/98/83/71/1360988371.db2.gz PULQLBPZHBRGRR-GPJFCIFZSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001091198412 1361004822 /nfs/dbraw/zinc/00/48/22/1361004822.db2.gz GDEKEFBEQMKAEW-IOJLRTSASA-N 2 0 349.563 3.173 20 0 EGADRP O=C(NCC1CC([NH2+]CCC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001091199592 1361004978 /nfs/dbraw/zinc/00/49/78/1361004978.db2.gz QYCSBMCYVCFCOC-AFMYVXGZSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)CCCC1 ZINC001184629346 1387501576 /nfs/dbraw/zinc/50/15/76/1387501576.db2.gz YGOCXAYEWWWJEJ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001323992873 1387505736 /nfs/dbraw/zinc/50/57/36/1387505736.db2.gz ZRRBCSSNWHRGMS-LJQANCHMSA-N 2 0 337.511 3.468 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373047 1361582319 /nfs/dbraw/zinc/58/23/19/1361582319.db2.gz INIZEARUMKINLN-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001324096914 1387539480 /nfs/dbraw/zinc/53/94/80/1387539480.db2.gz FWHUHKPLQIXDAI-NQGACDCQSA-N 2 0 349.906 3.083 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525624 1362162233 /nfs/dbraw/zinc/16/22/33/1362162233.db2.gz ZMWHPMPMUNHOQW-ZRNYENFQSA-N 2 0 349.563 3.122 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912297 1362284950 /nfs/dbraw/zinc/28/49/50/1362284950.db2.gz QTPRIEUISHZEDQ-FUMNGEBKSA-N 2 0 347.547 3.305 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912298 1362285421 /nfs/dbraw/zinc/28/54/21/1362285421.db2.gz QTPRIEUISHZEDQ-FYQPLNBISA-N 2 0 347.547 3.305 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](CC)c1ccccc1 ZINC001324263460 1387573970 /nfs/dbraw/zinc/57/39/70/1387573970.db2.gz LWXGDBZUNLYDAK-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001324262496 1387574039 /nfs/dbraw/zinc/57/40/39/1387574039.db2.gz GEERSVOLJUBYSN-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001324273315 1387577382 /nfs/dbraw/zinc/57/73/82/1387577382.db2.gz KPSQPVLXQKVLEA-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001096608702 1362595819 /nfs/dbraw/zinc/59/58/19/1362595819.db2.gz AJFLDDPABSIFKE-OWSLCNJRSA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001096611111 1362596099 /nfs/dbraw/zinc/59/60/99/1362596099.db2.gz IYMYKLQRSIYIIF-XWSJACJDSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001096611826 1362596720 /nfs/dbraw/zinc/59/67/20/1362596720.db2.gz VHBFEFPLGCOHSD-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001097210081 1362886848 /nfs/dbraw/zinc/88/68/48/1362886848.db2.gz OBXIIMBDTBEAJD-MANSERQUSA-N 2 0 349.563 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001097695340 1363102909 /nfs/dbraw/zinc/10/29/09/1363102909.db2.gz XNEOPRLJWPQQJR-MKXGPGLRSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001097972408 1363184789 /nfs/dbraw/zinc/18/47/89/1363184789.db2.gz XCEVGJGIXNGMDY-AFYVEPGGSA-N 2 0 347.547 3.163 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120286 1387622813 /nfs/dbraw/zinc/62/28/13/1387622813.db2.gz QCEHFAVILPQWDW-QQGAAHRYSA-N 2 0 347.547 3.330 20 0 EGADRP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)C1CCCC1 ZINC001098826693 1363484083 /nfs/dbraw/zinc/48/40/83/1363484083.db2.gz NLODKOXSNLAYPD-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106460 1363625205 /nfs/dbraw/zinc/62/52/05/1363625205.db2.gz GKROLWRWZVMJQR-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116745 1363633358 /nfs/dbraw/zinc/63/33/58/1363633358.db2.gz VFMRNLLMFVDRSM-ROUUACIJSA-N 2 0 339.568 3.226 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001099131226 1363644016 /nfs/dbraw/zinc/64/40/16/1363644016.db2.gz YKMXTVSSAYPDNN-KRWDZBQOSA-N 2 0 339.568 3.370 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099200242 1363689574 /nfs/dbraw/zinc/68/95/74/1363689574.db2.gz XOSUHFDQKIBVNF-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099213780 1363695077 /nfs/dbraw/zinc/69/50/77/1363695077.db2.gz GSMSRZZPSAOEJD-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099235150 1363706488 /nfs/dbraw/zinc/70/64/88/1363706488.db2.gz PPLWIJWMCMDWGK-ZWKOTPCHSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099276417 1363727697 /nfs/dbraw/zinc/72/76/97/1363727697.db2.gz SIOKYSLIXKDLLY-IBGZPJMESA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099309213 1363742245 /nfs/dbraw/zinc/74/22/45/1363742245.db2.gz BFFALZOWOWFBDU-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354575 1363769331 /nfs/dbraw/zinc/76/93/31/1363769331.db2.gz UYWHBMNQDALOCG-SFHVURJKSA-N 2 0 339.568 3.370 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548609 1363842041 /nfs/dbraw/zinc/84/20/41/1363842041.db2.gz YGJKHHYDICINHG-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCC2)c1 ZINC001324517699 1387658887 /nfs/dbraw/zinc/65/88/87/1387658887.db2.gz KWHXHFPKSQMJFD-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@H]([NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001100404823 1364103297 /nfs/dbraw/zinc/10/32/97/1364103297.db2.gz WLQWGHNOKRDRHK-KVZIAJEVSA-N 2 0 343.515 3.106 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405652 1364103364 /nfs/dbraw/zinc/10/33/64/1364103364.db2.gz HDQAAPDMICMGIZ-ZCNNSLRDSA-N 2 0 347.547 3.234 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001100468004 1364125724 /nfs/dbraw/zinc/12/57/24/1364125724.db2.gz YJGUSDPHROAJFF-PLNGDYQASA-N 2 0 340.471 3.097 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100668600 1364210843 /nfs/dbraw/zinc/21/08/43/1364210843.db2.gz CLRQUZYOTKNCHY-ABHNRTSZSA-N 2 0 325.541 3.172 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100732261 1364240133 /nfs/dbraw/zinc/24/01/33/1364240133.db2.gz ZLYPODTXFJQEJH-OFVHNRDLSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001100904777 1364324570 /nfs/dbraw/zinc/32/45/70/1364324570.db2.gz GEFQLNOLWIDREM-XUJQIHCRSA-N 2 0 349.494 3.103 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185294915 1387674140 /nfs/dbraw/zinc/67/41/40/1387674140.db2.gz VNAVSXTUUZZTJM-PXNSSMCTSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037408 1364384098 /nfs/dbraw/zinc/38/40/98/1364384098.db2.gz LPIADDNHFMMMCL-ACBHZAAOSA-N 2 0 337.552 3.027 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101313109 1364505928 /nfs/dbraw/zinc/50/59/28/1364505928.db2.gz XAZGEIZVIVZVDQ-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368706 1364530510 /nfs/dbraw/zinc/53/05/10/1364530510.db2.gz ISUCIPKSRHKINS-LDRMICATSA-N 2 0 349.563 3.101 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CCCC2)CC1 ZINC001101522379 1364596791 /nfs/dbraw/zinc/59/67/91/1364596791.db2.gz XVOYDJVOTJBOPA-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541799 1364607654 /nfs/dbraw/zinc/60/76/54/1364607654.db2.gz WBPRYKVWYZWNED-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001101550631 1364613440 /nfs/dbraw/zinc/61/34/40/1364613440.db2.gz SJTDXWUYPPTYCZ-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001101554746 1364616571 /nfs/dbraw/zinc/61/65/71/1364616571.db2.gz OQYFXHGBGLNPFA-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001101569845 1364624912 /nfs/dbraw/zinc/62/49/12/1364624912.db2.gz QCWWVTURUQORKA-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061724 1364829417 /nfs/dbraw/zinc/82/94/17/1364829417.db2.gz BLHNORCGGUYHGH-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185410305 1387707128 /nfs/dbraw/zinc/70/71/28/1387707128.db2.gz BSQBMSKDPUKVPP-QUCCMNQESA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213675 1364937178 /nfs/dbraw/zinc/93/71/78/1364937178.db2.gz OZMUSVNAPQYUNF-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375490 1365029491 /nfs/dbraw/zinc/02/94/91/1365029491.db2.gz MSHWSCAIKCOQFU-JNVNVXKGSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430034 1365050582 /nfs/dbraw/zinc/05/05/82/1365050582.db2.gz BERQYOGIVXLQPA-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C)C(C)C ZINC001102472330 1365074827 /nfs/dbraw/zinc/07/48/27/1365074827.db2.gz WEHZICOUNXMWLA-QRVBRYPASA-N 2 0 337.552 3.003 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001102472382 1365074891 /nfs/dbraw/zinc/07/48/91/1365074891.db2.gz ZLMPCHQAJNCIRU-RTBURBONSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102525212 1365099362 /nfs/dbraw/zinc/09/93/62/1365099362.db2.gz PXSHNFCTZCYWOG-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001103060546 1365359376 /nfs/dbraw/zinc/35/93/76/1365359376.db2.gz RWPCESVYGVVRQV-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085252 1365373142 /nfs/dbraw/zinc/37/31/42/1365373142.db2.gz NSVQVSTYWSURRG-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185547496 1387744785 /nfs/dbraw/zinc/74/47/85/1387744785.db2.gz HZQRMIXYWUWEKI-IDPBEMBBSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368513 1365520792 /nfs/dbraw/zinc/52/07/92/1365520792.db2.gz ZFBGJJBPXAVMSM-ILENRSAMSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103376132 1365523735 /nfs/dbraw/zinc/52/37/35/1365523735.db2.gz MAKIDYOCUBAXCW-IAGOWNOFSA-N 2 0 349.519 3.075 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103536992 1365619893 /nfs/dbraw/zinc/61/98/93/1365619893.db2.gz MKFCFXPFFTWNAG-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001103662556 1365710902 /nfs/dbraw/zinc/71/09/02/1365710902.db2.gz BBQODZQSGUXETB-JNVNVXKGSA-N 2 0 337.552 3.149 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185609035 1387760334 /nfs/dbraw/zinc/76/03/34/1387760334.db2.gz BMLHOYVSBVISLQ-WOJBJXKFSA-N 2 0 345.531 3.060 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)CC1 ZINC001324761558 1387762233 /nfs/dbraw/zinc/76/22/33/1387762233.db2.gz WMPAVQJGCMKBFY-HXUWFJFHSA-N 2 0 339.483 3.194 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001104000202 1365867550 /nfs/dbraw/zinc/86/75/50/1365867550.db2.gz YYTGLCJQWHKLNT-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291336 1365977937 /nfs/dbraw/zinc/97/79/37/1365977937.db2.gz MSFOWYINGFOIJE-GGPKGHCWSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001185707225 1387783605 /nfs/dbraw/zinc/78/36/05/1387783605.db2.gz ZIYWXQGFFOMTDU-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C2)C1 ZINC001104573605 1366082989 /nfs/dbraw/zinc/08/29/89/1366082989.db2.gz XPXGEXHZZFPILM-AQNXPRMDSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1)[NH+](CC)CC ZINC001104665988 1366123634 /nfs/dbraw/zinc/12/36/34/1366123634.db2.gz KFWATUPMTQJDHG-GUDVDZBRSA-N 2 0 337.552 3.147 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676343 1366127248 /nfs/dbraw/zinc/12/72/48/1366127248.db2.gz GBJSUFGRPSLVCP-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683568 1366130432 /nfs/dbraw/zinc/13/04/32/1366130432.db2.gz MAEBDYJKTRKHJG-PWBPZBFBSA-N 2 0 349.563 3.149 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104683149 1366130622 /nfs/dbraw/zinc/13/06/22/1366130622.db2.gz GTLZPXGAANTPFO-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752571 1366157568 /nfs/dbraw/zinc/15/75/68/1366157568.db2.gz HAVBCIAVHILHQJ-VAMGGRTRSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC)C1 ZINC001104803731 1366179680 /nfs/dbraw/zinc/17/96/80/1366179680.db2.gz YBYZJFFYZKMRGI-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC)C1 ZINC001104895888 1366213437 /nfs/dbraw/zinc/21/34/37/1366213437.db2.gz HGESZGPGWOIICE-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104932615 1366229518 /nfs/dbraw/zinc/22/95/18/1366229518.db2.gz DFTCTOUWQPRIPQ-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001104938586 1366231598 /nfs/dbraw/zinc/23/15/98/1366231598.db2.gz WGCRLGYALPBOJB-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001185780108 1387797827 /nfs/dbraw/zinc/79/78/27/1387797827.db2.gz TTWYXRYPWNVAJM-WOJBJXKFSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001105025438 1366283660 /nfs/dbraw/zinc/28/36/60/1366283660.db2.gz VCNSVVRADFANLU-WOJBJXKFSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001105062480 1366300944 /nfs/dbraw/zinc/30/09/44/1366300944.db2.gz SYZLYRJKCSQCJN-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]C(C)C)CCC2)CC[N@@H+]1C ZINC001105539598 1366518827 /nfs/dbraw/zinc/51/88/27/1366518827.db2.gz LDAVDUGNCHUNKK-OTWHNJEPSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541833 1366520355 /nfs/dbraw/zinc/52/03/55/1366520355.db2.gz KXJKWQNZBSWBKL-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105563040 1366532363 /nfs/dbraw/zinc/53/23/63/1366532363.db2.gz BKYTZRTYYSSPDQ-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105563548 1366533016 /nfs/dbraw/zinc/53/30/16/1366533016.db2.gz PBNBLYOQYKXRLX-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105568527 1366536381 /nfs/dbraw/zinc/53/63/81/1366536381.db2.gz REFSINGVUZPIJE-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105575120 1366540021 /nfs/dbraw/zinc/54/00/21/1366540021.db2.gz RQKFGXYVBVZAJX-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001106633816 1366761567 /nfs/dbraw/zinc/76/15/67/1366761567.db2.gz VZRMMQMFKJUETH-KZNAEPCWSA-N 2 0 339.568 3.083 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728701 1366782448 /nfs/dbraw/zinc/78/24/48/1366782448.db2.gz NVDBMFDKBSYNTG-WKOLEINNSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106839618 1366813529 /nfs/dbraw/zinc/81/35/29/1366813529.db2.gz LJODOILDQSTEFN-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328990 1366930009 /nfs/dbraw/zinc/93/00/09/1366930009.db2.gz DQGDUVVVZNZROQ-QWFCFKBJSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439365 1366963968 /nfs/dbraw/zinc/96/39/68/1366963968.db2.gz XVXGUOSUFMLXAK-SFHLNBCPSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442908 1366964948 /nfs/dbraw/zinc/96/49/48/1366964948.db2.gz QUTOZBFZCHKISH-SFHLNBCPSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189309976 1366985063 /nfs/dbraw/zinc/98/50/63/1366985063.db2.gz DAKSXQAIPGJEQS-HSALFYBXSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001107596419 1367064440 /nfs/dbraw/zinc/06/44/40/1367064440.db2.gz FZMDBJSXCNAFAD-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001107607303 1367068253 /nfs/dbraw/zinc/06/82/53/1367068253.db2.gz UXQFSTNHXQUPHF-UYAOXDASSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001324958417 1387850689 /nfs/dbraw/zinc/85/06/89/1387850689.db2.gz SSMRDDBVWIKPJD-HXUWFJFHSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109371758 1367091894 /nfs/dbraw/zinc/09/18/94/1367091894.db2.gz SYGHRURLDVZEKJ-XWSJACJDSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652611 1367094915 /nfs/dbraw/zinc/09/49/15/1367094915.db2.gz XRNSFKFKPFOKPV-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399854 1367104003 /nfs/dbraw/zinc/10/40/03/1367104003.db2.gz ZMAQAPRFWAKRRK-DIYYGHKSSA-N 2 0 347.547 3.327 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109397298 1367104147 /nfs/dbraw/zinc/10/41/47/1367104147.db2.gz VTJASIWYVFNGHO-ZRNYENFQSA-N 2 0 349.563 3.122 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190654290 1367318706 /nfs/dbraw/zinc/31/87/06/1367318706.db2.gz JKOZSUVEMKIBIT-LXORQPIJSA-N 2 0 335.536 3.138 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC1 ZINC001109798800 1367328833 /nfs/dbraw/zinc/32/88/33/1367328833.db2.gz SPVZNDWWXRPNOA-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798790 1367329345 /nfs/dbraw/zinc/32/93/45/1367329345.db2.gz SBHCMLFPGQDSQQ-YDZRNGNQSA-N 2 0 335.536 3.161 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001190996471 1367398169 /nfs/dbraw/zinc/39/81/69/1367398169.db2.gz FTFBTGLCQSWVNS-CVEARBPZSA-N 2 0 349.494 3.150 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001191029035 1367404937 /nfs/dbraw/zinc/40/49/37/1367404937.db2.gz FPGWUSZRVKPEOY-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080283 1367419446 /nfs/dbraw/zinc/41/94/46/1367419446.db2.gz FXXKHEWMAXTCIO-QWNKOJSDSA-N 2 0 340.471 3.145 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001109969671 1367435452 /nfs/dbraw/zinc/43/54/52/1367435452.db2.gz VRAOLLKHCOGKPG-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1C ZINC001110016336 1367459441 /nfs/dbraw/zinc/45/94/41/1367459441.db2.gz JCBGDALEOFTXOZ-JYBIWHBTSA-N 2 0 343.515 3.119 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](CC)c1ccccc1 ZINC001110022388 1367461545 /nfs/dbraw/zinc/46/15/45/1367461545.db2.gz WBESRURGUWPXCA-WCIQWLHISA-N 2 0 343.515 3.201 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1cccc(C)c1 ZINC001110021921 1367461666 /nfs/dbraw/zinc/46/16/66/1367461666.db2.gz NYLPFNUJGNYRLL-LMCOJAPRSA-N 2 0 343.515 3.119 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001191416464 1367498913 /nfs/dbraw/zinc/49/89/13/1367498913.db2.gz IFTKDAXQAMDASI-WBVHZDCISA-N 2 0 335.467 3.267 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001110158667 1367530537 /nfs/dbraw/zinc/53/05/37/1367530537.db2.gz SHMWKZPXNWESBB-FYQPLNBISA-N 2 0 347.547 3.019 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001108725485 1367559614 /nfs/dbraw/zinc/55/96/14/1367559614.db2.gz BJSLQJGTUOGSPP-WDYCEAGBSA-N 2 0 340.471 3.107 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989332 1367658913 /nfs/dbraw/zinc/65/89/13/1367658913.db2.gz TVNWVZCCOPUBBA-QGZVFWFLSA-N 2 0 335.492 3.068 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+](C)CCC3CCCCCC3)C2)CC1 ZINC001192017059 1367666149 /nfs/dbraw/zinc/66/61/49/1367666149.db2.gz NRPCQVQZIQYZDA-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001192317437 1367748499 /nfs/dbraw/zinc/74/84/99/1367748499.db2.gz TTWGYRGQMHWKHD-PMACEKPBSA-N 2 0 345.531 3.148 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378713 1367768883 /nfs/dbraw/zinc/76/88/83/1367768883.db2.gz XORXTLUNZKWNHO-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192657059 1367844056 /nfs/dbraw/zinc/84/40/56/1367844056.db2.gz XIXXQFDBLDQBEG-OBNUAKFSSA-N 2 0 335.536 3.140 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680408 1367848747 /nfs/dbraw/zinc/84/87/47/1367848747.db2.gz QCJPVNNLFIKLFX-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192906527 1367901329 /nfs/dbraw/zinc/90/13/29/1367901329.db2.gz MJSFOQUJUFFVNU-RQMBKDMJSA-N 2 0 337.552 3.388 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110661595 1367903632 /nfs/dbraw/zinc/90/36/32/1367903632.db2.gz ZMAQAPRFWAKRRK-UXKFTAHHSA-N 2 0 347.547 3.327 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383023 1368016133 /nfs/dbraw/zinc/01/61/33/1368016133.db2.gz NZKYNQAYAFLMKN-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001193581027 1368066151 /nfs/dbraw/zinc/06/61/51/1368066151.db2.gz XQBAYJPIFVGIOI-IBGZPJMESA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001193610461 1368073732 /nfs/dbraw/zinc/07/37/32/1368073732.db2.gz PIJZHRYTNWVUQN-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001193643342 1368082908 /nfs/dbraw/zinc/08/29/08/1368082908.db2.gz SQRMLHUMHBSZBY-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1)CC(C)(C)C ZINC001111031282 1368146437 /nfs/dbraw/zinc/14/64/37/1368146437.db2.gz RAPMXSNGKGOADZ-KURKYZTESA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097047 1368158422 /nfs/dbraw/zinc/15/84/22/1368158422.db2.gz ICTRVKKYOVXOPF-WTGUMLROSA-N 2 0 349.563 3.409 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246734 1368217552 /nfs/dbraw/zinc/21/75/52/1368217552.db2.gz QNXLGRVCIWDPDY-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001111298646 1368258784 /nfs/dbraw/zinc/25/87/84/1368258784.db2.gz JESOWSXPAKLHLO-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)C(C)C ZINC001186420083 1387938712 /nfs/dbraw/zinc/93/87/12/1387938712.db2.gz IOUQGGHAZVKBKZ-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001195334911 1368422722 /nfs/dbraw/zinc/42/27/22/1368422722.db2.gz YLROJKSVDUNTHZ-MPJJRAAHSA-N 2 0 341.543 3.171 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001186421085 1387939247 /nfs/dbraw/zinc/93/92/47/1387939247.db2.gz XYKVOUPXFIOESU-RBUKOAKNSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111818264 1368480063 /nfs/dbraw/zinc/48/00/63/1368480063.db2.gz ZHSMEUUWZLKABA-PXNSSMCTSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855770 1368508020 /nfs/dbraw/zinc/50/80/20/1368508020.db2.gz LVLVIWIKQDXBDF-KSGIUMMHSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868527 1368516148 /nfs/dbraw/zinc/51/61/48/1368516148.db2.gz BIQMLBBUHPLJHD-GZSVMNJZSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870609 1368517853 /nfs/dbraw/zinc/51/78/53/1368517853.db2.gz GQTLNDAALUIPSR-DGICPSGQSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875255 1368521290 /nfs/dbraw/zinc/52/12/90/1368521290.db2.gz VHCIAQPRMJPXQZ-AUYOHBPWSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641348 1368654773 /nfs/dbraw/zinc/65/47/73/1368654773.db2.gz BPCWIBNWHFKHQT-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CCc1ccccc1[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001325367348 1387952503 /nfs/dbraw/zinc/95/25/03/1387952503.db2.gz UDEUICXMHURATL-VQTJNVASSA-N 2 0 343.515 3.056 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112382204 1368810351 /nfs/dbraw/zinc/81/03/51/1368810351.db2.gz KODSHVLELYUQQG-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](CCCC(C)C)CC1 ZINC001197477940 1368823229 /nfs/dbraw/zinc/82/32/29/1368823229.db2.gz PZVJBKRRVWHIIH-UHFFFAOYSA-N 2 0 339.568 3.469 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510528 1368829681 /nfs/dbraw/zinc/82/96/81/1368829681.db2.gz DFZJKNCGHSQHMG-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197809512 1368903358 /nfs/dbraw/zinc/90/33/58/1368903358.db2.gz BRPXLAKXQFJGIL-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001197898940 1368921857 /nfs/dbraw/zinc/92/18/57/1368921857.db2.gz IUOTVQIZVAFEAD-KRWDZBQOSA-N 2 0 349.494 3.153 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585371 1368938560 /nfs/dbraw/zinc/93/85/60/1368938560.db2.gz UPKTWYAYEADKKR-DYXWJJEUSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220970 1368982704 /nfs/dbraw/zinc/98/27/04/1368982704.db2.gz AWVNZESISHDYSH-ARHOITHKSA-N 2 0 335.536 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001113248365 1369290380 /nfs/dbraw/zinc/29/03/80/1369290380.db2.gz XMPMIGMSMDOEPB-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001200046164 1369307375 /nfs/dbraw/zinc/30/73/75/1369307375.db2.gz KFWQNYQHANRPSD-HMXCVIKNSA-N 2 0 329.532 3.391 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001201268376 1369507608 /nfs/dbraw/zinc/50/76/08/1369507608.db2.gz YISUJTOUQPFTAW-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001201314572 1369517595 /nfs/dbraw/zinc/51/75/95/1369517595.db2.gz YJFPBFQWFCJTIC-HNNXBMFYSA-N 2 0 349.494 3.198 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001201393205 1369535482 /nfs/dbraw/zinc/53/54/82/1369535482.db2.gz IYHWPWSHJHAIAB-UHFFFAOYSA-N 2 0 328.460 3.027 20 0 EGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC001201416687 1369540592 /nfs/dbraw/zinc/54/05/92/1369540592.db2.gz QVQSQLRHQIEMCD-ROUUACIJSA-N 2 0 330.497 3.369 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3nc4cc(Cl)ccc4o3)cc[nH+]2)CC1 ZINC001201647587 1369596109 /nfs/dbraw/zinc/59/61/09/1369596109.db2.gz GEHQQMKXIMHASM-UHFFFAOYSA-N 2 0 343.818 3.372 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(-c4ncco4)cc3)cc[nH+]2)CC1 ZINC001201671408 1369602521 /nfs/dbraw/zinc/60/25/21/1369602521.db2.gz BURLLPRHDVBLFX-UHFFFAOYSA-N 2 0 335.411 3.232 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001186980712 1388035151 /nfs/dbraw/zinc/03/51/51/1388035151.db2.gz CWKNQFVMZMVPOB-DPZZJQGRSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930205 1369929138 /nfs/dbraw/zinc/92/91/38/1369929138.db2.gz RWUDHDHIQKBPPP-ZWKOTPCHSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001202991532 1369947795 /nfs/dbraw/zinc/94/77/95/1369947795.db2.gz OEBPLKIAMRRXGF-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203100823 1369983526 /nfs/dbraw/zinc/98/35/26/1369983526.db2.gz ACVWOSOHLUHMBI-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203104713 1369984817 /nfs/dbraw/zinc/98/48/17/1369984817.db2.gz TXMMQGLZHVSPOA-ZWKOTPCHSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1cncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001203180528 1370013848 /nfs/dbraw/zinc/01/38/48/1370013848.db2.gz MZEDHNYUDMCBDL-WOJBJXKFSA-N 2 0 336.483 3.129 20 0 EGADRP CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203233068 1370034605 /nfs/dbraw/zinc/03/46/05/1370034605.db2.gz ZRGKUPRWSKOHNT-ZWKOTPCHSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH2+]CC2CCC2)CC1)c1ccccc1 ZINC001203312185 1370077740 /nfs/dbraw/zinc/07/77/40/1370077740.db2.gz AJHGQMOINXHADT-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]C/C=C\Cl)CC1 ZINC001203313801 1370078692 /nfs/dbraw/zinc/07/86/92/1370078692.db2.gz UFOCCDLFOKWXIC-POHAHGRESA-N 2 0 343.943 3.222 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001203330695 1370084557 /nfs/dbraw/zinc/08/45/57/1370084557.db2.gz PNYJISCRINSSDT-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203333522 1370086619 /nfs/dbraw/zinc/08/66/19/1370086619.db2.gz UMOXTLAAAKYXJS-ASIGSXEYSA-N 2 0 347.547 3.092 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001203407274 1370114771 /nfs/dbraw/zinc/11/47/71/1370114771.db2.gz IGEJORQICBFWDV-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419500 1370118499 /nfs/dbraw/zinc/11/84/99/1370118499.db2.gz LYALVPLIOVEMAN-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425094 1370120071 /nfs/dbraw/zinc/12/00/71/1370120071.db2.gz AFTORDFMHIGOPN-DLBZAZTESA-N 2 0 337.552 3.027 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2)CC(C)(C)C ZINC001203426796 1370121422 /nfs/dbraw/zinc/12/14/22/1370121422.db2.gz QPTNJEMPGWSRPG-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203442184 1370128170 /nfs/dbraw/zinc/12/81/70/1370128170.db2.gz FWSQMGYMXHMQFK-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](CC)c2ccccc2)CC1 ZINC001203443273 1370128795 /nfs/dbraw/zinc/12/87/95/1370128795.db2.gz RGMGESGCVLMRBN-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203507016 1370148317 /nfs/dbraw/zinc/14/83/17/1370148317.db2.gz MUOIOBCLKZOIJX-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC)C12CCC2 ZINC001203506498 1370148385 /nfs/dbraw/zinc/14/83/85/1370148385.db2.gz JLMXARPXKZPCIQ-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC)C12CCC2 ZINC001203506496 1370148405 /nfs/dbraw/zinc/14/84/05/1370148405.db2.gz JLMXARPXKZPCIQ-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001114920734 1370149583 /nfs/dbraw/zinc/14/95/83/1370149583.db2.gz AAMOKTNHHPRCFL-GKFHCURPSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203554886 1370167725 /nfs/dbraw/zinc/16/77/25/1370167725.db2.gz GNXBBQHFFQUZSR-MOPGFXCFSA-N 2 0 349.563 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203576488 1370176621 /nfs/dbraw/zinc/17/66/21/1370176621.db2.gz DWVKBJWMZPTTRN-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203624818 1370191723 /nfs/dbraw/zinc/19/17/23/1370191723.db2.gz SPWWZVULCXZTRX-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641643 1370198906 /nfs/dbraw/zinc/19/89/06/1370198906.db2.gz SQQTXXDUONSMQC-XXCOWLKOSA-N 2 0 335.536 3.092 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203739958 1370243725 /nfs/dbraw/zinc/24/37/25/1370243725.db2.gz MRENXDUZUMCTBF-ONEGZZNKSA-N 2 0 335.536 3.189 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203741170 1370243937 /nfs/dbraw/zinc/24/39/37/1370243937.db2.gz GREPXORULUVLJK-ROUUACIJSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203853607 1370290086 /nfs/dbraw/zinc/29/00/86/1370290086.db2.gz UWEAYDASJQDRCV-IAGOWNOFSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Oc2ccccc2)cc1 ZINC001203945006 1370325792 /nfs/dbraw/zinc/32/57/92/1370325792.db2.gz WVBVQBQOBASEEP-UHFFFAOYSA-N 2 0 339.483 3.158 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001115249866 1370344551 /nfs/dbraw/zinc/34/45/51/1370344551.db2.gz OHBCOKLSJOVWRL-GJPWGKPRSA-N 2 0 347.547 3.045 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001204061477 1370363909 /nfs/dbraw/zinc/36/39/09/1370363909.db2.gz AXLSGCPDEQJEPK-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC001204062755 1370365190 /nfs/dbraw/zinc/36/51/90/1370365190.db2.gz VDKMSXGXUCRCNL-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001204262918 1370424960 /nfs/dbraw/zinc/42/49/60/1370424960.db2.gz AWVBVLXHJWNBMV-CALCHBBNSA-N 2 0 338.442 3.494 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115450421 1370458340 /nfs/dbraw/zinc/45/83/40/1370458340.db2.gz AFDPQGQUPCQYNC-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP c1csc(C[N@@H+]2C[C@H]3CN(Cc4ccc5c(c4)CCO5)C[C@H]3C2)c1 ZINC001204489233 1370489872 /nfs/dbraw/zinc/48/98/72/1370489872.db2.gz JEOAWQHKWWVACP-HDICACEKSA-N 2 0 340.492 3.247 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)oc1C ZINC001204531334 1370506005 /nfs/dbraw/zinc/50/60/05/1370506005.db2.gz NBFBXTMQDDYVCX-MOPGFXCFSA-N 2 0 325.456 3.245 20 0 EGADRP Cc1c(CN2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cnn1C ZINC001204570502 1370519064 /nfs/dbraw/zinc/51/90/64/1370519064.db2.gz MCIRVIVYIVJXRL-ACRUOGEOSA-N 2 0 338.499 3.339 20 0 EGADRP Cc1nc[nH]c1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001204589102 1370525652 /nfs/dbraw/zinc/52/56/52/1370525652.db2.gz FABCSWTYCPJOBI-SFHVURJKSA-N 2 0 328.460 3.188 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001187232524 1388077581 /nfs/dbraw/zinc/07/75/81/1388077581.db2.gz YXUOCLQMEVORJV-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cc1C ZINC001204622013 1370532082 /nfs/dbraw/zinc/53/20/82/1370532082.db2.gz WLXSPSHFZKHIHQ-UHFFFAOYSA-N 2 0 341.524 3.333 20 0 EGADRP C[NH+](C)Cc1ccc(-c2cccc3cc([C@H]4C[NH2+]CCO4)cn32)cc1 ZINC001204641342 1370535654 /nfs/dbraw/zinc/53/56/54/1370535654.db2.gz BCBZUUSIFGDUHN-OAQYLSRUSA-N 2 0 335.451 3.329 20 0 EGADRP COc1ccc2c(c1)c(C[N@@H+]1CCCC3(CC[NH2+]CC3)C1)cn2C ZINC001204734970 1370558929 /nfs/dbraw/zinc/55/89/29/1370558929.db2.gz HTCHUKBOGWUJJR-UHFFFAOYSA-N 2 0 327.472 3.153 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582084 1370584072 /nfs/dbraw/zinc/58/40/72/1370584072.db2.gz JWHFPSHHJYWUSI-DVBCCOPCSA-N 2 0 337.552 3.338 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001115617480 1370613850 /nfs/dbraw/zinc/61/38/50/1370613850.db2.gz YUGLWKBEMFIJDN-UHFFFAOYSA-N 2 0 340.471 3.157 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2([NH2+]CC3CCC3)CCCCC2)CCCC1 ZINC001115650277 1370638262 /nfs/dbraw/zinc/63/82/62/1370638262.db2.gz SAJPZMXHRKQUNN-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cccc3cc(Br)cnc32)CC1 ZINC001205053077 1370638385 /nfs/dbraw/zinc/63/83/85/1370638385.db2.gz JNCMYJIRNHDHHG-UHFFFAOYSA-N 2 0 334.261 3.168 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1C)C2 ZINC001205076319 1370644280 /nfs/dbraw/zinc/64/42/80/1370644280.db2.gz UQKXERQZYBCJKV-VXKWHMMOSA-N 2 0 342.527 3.484 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661761 1370645629 /nfs/dbraw/zinc/64/56/29/1370645629.db2.gz OEQYPXWOHMGHFR-MRXNPFEDSA-N 2 0 341.515 3.018 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC(C)C)CCCCC2)C1 ZINC001115688027 1370670848 /nfs/dbraw/zinc/67/08/48/1370670848.db2.gz HOBAQOAIESYWQS-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697588 1370678811 /nfs/dbraw/zinc/67/88/11/1370678811.db2.gz HUNIBMMHKQIVHQ-VOTSOKGWSA-N 2 0 337.552 3.483 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115708181 1370687546 /nfs/dbraw/zinc/68/75/46/1370687546.db2.gz SBHUVTRCAIXNTH-WAYWQWQTSA-N 2 0 349.563 3.483 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115708019 1370687621 /nfs/dbraw/zinc/68/76/21/1370687621.db2.gz JTTMHLOMZYUMOO-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@]1([NH3+])CCC[N@H+](Cc2[nH]nc3cc(Br)ccc32)CC1 ZINC001205280714 1370704664 /nfs/dbraw/zinc/70/46/64/1370704664.db2.gz GYSQHSFTVKOPOU-OAHLLOKOSA-N 2 0 337.265 3.029 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1OC(F)(F)F ZINC001205280697 1370705046 /nfs/dbraw/zinc/70/50/46/1370705046.db2.gz GOVWXLBAWZUCKJ-HNNXBMFYSA-N 2 0 332.366 3.297 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283481 1370705865 /nfs/dbraw/zinc/70/58/65/1370705865.db2.gz CRBLUNKSQHLMIB-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205284532 1370706542 /nfs/dbraw/zinc/70/65/42/1370706542.db2.gz NKFAHXRHNNWQGK-AATRIKPKSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729422 1370710745 /nfs/dbraw/zinc/71/07/45/1370710745.db2.gz FMLXBRQMSLZNGO-SFFCAUCYSA-N 2 0 349.563 3.483 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC001115729476 1370711346 /nfs/dbraw/zinc/71/13/46/1370711346.db2.gz HVNKPMYZSYWNAF-IBGZPJMESA-N 2 0 341.515 3.018 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCCCC1)[NH+](C)C ZINC001115733293 1370716281 /nfs/dbraw/zinc/71/62/81/1370716281.db2.gz YPGKVPWQSLNOFA-IBGZPJMESA-N 2 0 345.531 3.244 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)CC3CC[NH+](C)CC3)CCCCC2)C1 ZINC001115760631 1370744621 /nfs/dbraw/zinc/74/46/21/1370744621.db2.gz PYQHCVQRLMNPII-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768906 1370753424 /nfs/dbraw/zinc/75/34/24/1370753424.db2.gz MMWDXPUKKKWASC-MSOLQXFVSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768950 1370753549 /nfs/dbraw/zinc/75/35/49/1370753549.db2.gz OHMZWPQXYLBEME-RTBURBONSA-N 2 0 347.547 3.378 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115778744 1370762375 /nfs/dbraw/zinc/76/23/75/1370762375.db2.gz PQDYLFLJTYETDL-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483455 1370769543 /nfs/dbraw/zinc/76/95/43/1370769543.db2.gz DVVASTJOAFRHAF-VZSQWMKGSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC001205517357 1370778380 /nfs/dbraw/zinc/77/83/80/1370778380.db2.gz NUOJLGAPIWQNEH-SFHVURJKSA-N 2 0 343.559 3.112 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518777 1370778583 /nfs/dbraw/zinc/77/85/83/1370778583.db2.gz KNYJHQCHATWBCE-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001205539399 1370785173 /nfs/dbraw/zinc/78/51/73/1370785173.db2.gz YODWHSWZGWKUDM-HXUWFJFHSA-N 3 0 333.495 3.052 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545607 1370786858 /nfs/dbraw/zinc/78/68/58/1370786858.db2.gz KEJFPZNDDVOQOD-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001205548914 1370787625 /nfs/dbraw/zinc/78/76/25/1370787625.db2.gz NOUWRPAIJUZSDZ-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205559582 1370790816 /nfs/dbraw/zinc/79/08/16/1370790816.db2.gz SEZMEUZXMDGNPW-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001205558139 1370790868 /nfs/dbraw/zinc/79/08/68/1370790868.db2.gz CCBTVSMGYCFRCA-HNNXBMFYSA-N 2 0 344.356 3.235 20 0 EGADRP c1cc2c(c(-c3ccc(N4CC[NH2+]CC4)cc3)c1)C1(CC2)CC[NH2+]CC1 ZINC001205557857 1370791669 /nfs/dbraw/zinc/79/16/69/1370791669.db2.gz DGFXNURLGDFBGI-UHFFFAOYSA-N 2 0 347.506 3.331 20 0 EGADRP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570957 1370795064 /nfs/dbraw/zinc/79/50/64/1370795064.db2.gz QPZVHUJPVLMRPK-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)(C)[NH2+]CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001115966222 1370812427 /nfs/dbraw/zinc/81/24/27/1370812427.db2.gz OMTFPKJAYIJCIB-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP CCSc1ncc2cccc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)n21 ZINC001205651614 1370829163 /nfs/dbraw/zinc/82/91/63/1370829163.db2.gz HKUJQCSQNOMOJU-GJZGRUSLSA-N 2 0 332.517 3.253 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001205725928 1370853431 /nfs/dbraw/zinc/85/34/31/1370853431.db2.gz NHQPNINJAGPGNS-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751421 1370859888 /nfs/dbraw/zinc/85/98/88/1370859888.db2.gz BGAJGMVXCQMMFG-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)c1 ZINC001205832487 1370886795 /nfs/dbraw/zinc/88/67/95/1370886795.db2.gz PLOMIQOOZIEDIP-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205913194 1370908698 /nfs/dbraw/zinc/90/86/98/1370908698.db2.gz HMIWYNBVJNEEGZ-NWDGAFQWSA-N 2 0 336.277 3.490 20 0 EGADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205917440 1370910661 /nfs/dbraw/zinc/91/06/61/1370910661.db2.gz YPZDVCRCVKCXHN-DGCLKSJQSA-N 2 0 334.357 3.483 20 0 EGADRP Cc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC001205919542 1370911392 /nfs/dbraw/zinc/91/13/92/1370911392.db2.gz MNSQKWNFFJXKJD-UHFFFAOYSA-N 2 0 326.488 3.073 20 0 EGADRP C[C@@H]1C[N@H+](CCc2cccc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205985358 1370929798 /nfs/dbraw/zinc/92/97/98/1370929798.db2.gz XWCKFFJLYMZYRP-UKRRQHHQSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3F)nc2)CCC[C@H]1C[NH3+] ZINC001206003292 1370935518 /nfs/dbraw/zinc/93/55/18/1370935518.db2.gz GJGATBOCVAHXHX-HOCLYGCPSA-N 2 0 328.435 3.090 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003833 1370935554 /nfs/dbraw/zinc/93/55/54/1370935554.db2.gz MXXPKMMYPRSATM-LSDHHAIUSA-N 2 0 343.471 3.151 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206007017 1370936268 /nfs/dbraw/zinc/93/62/68/1370936268.db2.gz WKTQWMYXSAPTOJ-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]1CN(Cc2cc(Cl)cnc2Br)CCC[C@H]1C[NH3+] ZINC001206011211 1370937222 /nfs/dbraw/zinc/93/72/22/1370937222.db2.gz APXSCDZAJLLUOX-QWRGUYRKSA-N 2 0 346.700 3.304 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001206073938 1370954792 /nfs/dbraw/zinc/95/47/92/1370954792.db2.gz JKTJKRUVLMORGG-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001206084713 1370957028 /nfs/dbraw/zinc/95/70/28/1370957028.db2.gz MJGIKXBEHPPRHN-ILXRZTDVSA-N 2 0 334.451 3.064 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001206138478 1370969364 /nfs/dbraw/zinc/96/93/64/1370969364.db2.gz PKDNLEUBWDZTMT-IBGZPJMESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001206274251 1371009837 /nfs/dbraw/zinc/00/98/37/1371009837.db2.gz GDOXZQTUNVOGFS-GOSISDBHSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001206327388 1371023735 /nfs/dbraw/zinc/02/37/35/1371023735.db2.gz WAMPKOZEIQXNIK-OAHLLOKOSA-N 2 0 332.366 3.242 20 0 EGADRP NC[C@@]1(F)CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336296 1371026371 /nfs/dbraw/zinc/02/63/71/1371026371.db2.gz LDPAECBPFMCVFU-FQEVSTJZSA-N 2 0 333.495 3.052 20 0 EGADRP Cn1nccc1CN1C[C@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338172 1371026626 /nfs/dbraw/zinc/02/66/26/1371026626.db2.gz XLNNGCONXPFHJP-ATZDWAIDSA-N 2 0 344.528 3.214 20 0 EGADRP CN(C)c1ccc(Br)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506777 1371076745 /nfs/dbraw/zinc/07/67/45/1371076745.db2.gz PJQAELHWFWEPGP-UHFFFAOYSA-N 2 0 340.309 3.076 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206623163 1371111598 /nfs/dbraw/zinc/11/15/98/1371111598.db2.gz JPLLABUCQVDQNP-OAHLLOKOSA-N 2 0 343.471 3.214 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001206622367 1371111635 /nfs/dbraw/zinc/11/16/35/1371111635.db2.gz AMTNMPUUWUFGKL-LLVKDONJSA-N 2 0 326.366 3.143 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)C1 ZINC001206624605 1371111769 /nfs/dbraw/zinc/11/17/69/1371111769.db2.gz XBVMJBSBSCIBGX-LBPRGKRZSA-N 2 0 336.277 3.491 20 0 EGADRP COc1cc(F)ccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755791 1371154906 /nfs/dbraw/zinc/15/49/06/1371154906.db2.gz QFPHQGZPDBKIGZ-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP COc1c(F)ccc(F)c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755200 1371154914 /nfs/dbraw/zinc/15/49/14/1371154914.db2.gz DGPUOMWXKNSTIT-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865630 1371195259 /nfs/dbraw/zinc/19/52/59/1371195259.db2.gz ZOUOKOJWRGYLCO-OAQYLSRUSA-N 2 0 345.531 3.092 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001206890531 1371210035 /nfs/dbraw/zinc/21/00/35/1371210035.db2.gz WLWDKGFJUFKPJC-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206948926 1371240697 /nfs/dbraw/zinc/24/06/97/1371240697.db2.gz JAGNBYJYBAXWQW-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC001206950545 1371241972 /nfs/dbraw/zinc/24/19/72/1371241972.db2.gz YAUAZEHEXJUMOM-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP C[N@@H+](Cc1cccc(=O)[nH]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207074115 1371286411 /nfs/dbraw/zinc/28/64/11/1371286411.db2.gz UYQKMOULLRJDLD-UHFFFAOYSA-N 2 0 325.456 3.131 20 0 EGADRP Cc1nccc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)n1 ZINC001207163997 1371317084 /nfs/dbraw/zinc/31/70/84/1371317084.db2.gz OHUFWMZFBJMISP-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP Cc1nccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001207169353 1371317919 /nfs/dbraw/zinc/31/79/19/1371317919.db2.gz IZBFMICKAJYUGF-WOJBJXKFSA-N 2 0 336.483 3.129 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001207261203 1371343815 /nfs/dbraw/zinc/34/38/15/1371343815.db2.gz NAEYWSOSJUKDLR-GOSISDBHSA-N 2 0 336.520 3.306 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001207281018 1371349204 /nfs/dbraw/zinc/34/92/04/1371349204.db2.gz YFPOLMDZZRTXCQ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP OCC[C@@H]1CC12CC[NH+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207286442 1371351755 /nfs/dbraw/zinc/35/17/55/1371351755.db2.gz JJKCBUBKFKVQPP-OAQYLSRUSA-N 2 0 342.527 3.383 20 0 EGADRP c1ccc(C[NH+]2CCC(CN3CC[N@@H+]4CCCC[C@@H]4C3)CC2)cc1 ZINC001207291571 1371352569 /nfs/dbraw/zinc/35/25/69/1371352569.db2.gz TXTSBRHQNUZTMU-OAQYLSRUSA-N 2 0 327.516 3.069 20 0 EGADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC2(C1)OCCO2 ZINC001207294947 1371353863 /nfs/dbraw/zinc/35/38/63/1371353863.db2.gz WZGGDMJFRQYTIM-HXUWFJFHSA-N 2 0 344.499 3.126 20 0 EGADRP CCN1CCC([N@H+](C)C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207316041 1371357930 /nfs/dbraw/zinc/35/79/30/1371357930.db2.gz WMZUHAYGYRNTJK-QGZVFWFLSA-N 2 0 339.524 3.192 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN(CC2CCC(F)(F)CC2)CC1 ZINC001207346839 1371367474 /nfs/dbraw/zinc/36/74/74/1371367474.db2.gz CXIKOYHSSHAUTE-KRWDZBQOSA-N 2 0 330.463 3.387 20 0 EGADRP COc1ccccc1OCC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399579 1371385360 /nfs/dbraw/zinc/38/53/60/1371385360.db2.gz NLLQRIMIIJPYLL-UHFFFAOYSA-N 2 0 332.488 3.128 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001207480085 1371408532 /nfs/dbraw/zinc/40/85/32/1371408532.db2.gz UAQUGYGHFPGUNN-IBGZPJMESA-N 2 0 339.524 3.098 20 0 EGADRP CCOC(=O)[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)C[C@H]2CCCC[C@@H]12 ZINC001207482347 1371410243 /nfs/dbraw/zinc/41/02/43/1371410243.db2.gz USYPFVPVDAIMFX-QRVBRYPASA-N 2 0 336.520 3.020 20 0 EGADRP CN(Cc1ccc(F)cc1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487636 1371411153 /nfs/dbraw/zinc/41/11/53/1371411153.db2.gz PBJZWLMSJXWOJF-UHFFFAOYSA-N 3 0 347.522 3.454 20 0 EGADRP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207488374 1371411732 /nfs/dbraw/zinc/41/17/32/1371411732.db2.gz JXZXYDPARCERGI-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C1)O[C@H](C)C2 ZINC001119988565 1371443685 /nfs/dbraw/zinc/44/36/85/1371443685.db2.gz KGOGBIKVSLYSIM-YEWFCNIMSA-N 2 0 344.499 3.181 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001120005337 1371451463 /nfs/dbraw/zinc/45/14/63/1371451463.db2.gz NPQHMOLDBUASKJ-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001120005767 1371452181 /nfs/dbraw/zinc/45/21/81/1371452181.db2.gz WOMGEYYQMSQWQQ-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010068 1371453471 /nfs/dbraw/zinc/45/34/71/1371453471.db2.gz KRASCEROWDKSBR-SFFCAUCYSA-N 2 0 349.563 3.483 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001120010703 1371454232 /nfs/dbraw/zinc/45/42/32/1371454232.db2.gz VDOFGPCFIPMWLR-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C[C@@H]2C[C@H]4C=C[C@@H]2C4)CC3)cn1 ZINC001207625658 1371457247 /nfs/dbraw/zinc/45/72/47/1371457247.db2.gz RXFXXGLMOASJMW-SXLOBPIMSA-N 2 0 340.515 3.063 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@H]1C)[NH+](C)C ZINC001207698296 1371478071 /nfs/dbraw/zinc/47/80/71/1371478071.db2.gz XMQWKOJZEYLGAO-NSISKUIASA-N 2 0 345.531 3.087 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120129437 1371491327 /nfs/dbraw/zinc/49/13/27/1371491327.db2.gz HSEGPZZXGDKUPO-DUMMIQTOSA-N 2 0 335.536 3.093 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCCC2(CC[NH2+]CC2)C1)CC1CCCCC1 ZINC001326289919 1388143252 /nfs/dbraw/zinc/14/32/52/1388143252.db2.gz YSJRQEILDJWMSY-SFHVURJKSA-N 2 0 335.536 3.057 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421659 1371568523 /nfs/dbraw/zinc/56/85/23/1371568523.db2.gz BCYMNCBBKOZILL-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421656 1371568610 /nfs/dbraw/zinc/56/86/10/1371568610.db2.gz BCYMNCBBKOZILL-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431722 1371575809 /nfs/dbraw/zinc/57/58/09/1371575809.db2.gz WAPRNQUCJTWHKJ-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)Cc1ccccc1C[NH2+]CCC(=O)Nc1ccccc1F ZINC001120468962 1371586914 /nfs/dbraw/zinc/58/69/14/1371586914.db2.gz QOHIJGRRJZQZIA-UHFFFAOYSA-N 2 0 329.419 3.006 20 0 EGADRP CN(C)C(=O)C1CC[NH+](C2CC[NH+](CCCC3CCCC3)CC2)CC1 ZINC001208090516 1371594183 /nfs/dbraw/zinc/59/41/83/1371594183.db2.gz AQVLHJPLRVOJHR-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001208107082 1371597037 /nfs/dbraw/zinc/59/70/37/1371597037.db2.gz KFFFEBLAUKDLMC-NQIIRXRSSA-N 2 0 343.515 3.294 20 0 EGADRP C[NH+](C)CC1(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)CCCC1 ZINC001208187181 1371627123 /nfs/dbraw/zinc/62/71/23/1371627123.db2.gz IIQRXFRNFRUBDA-UHFFFAOYSA-N 2 0 326.488 3.426 20 0 EGADRP C[NH+](C)CC1(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)CCCC1 ZINC001208187996 1371627146 /nfs/dbraw/zinc/62/71/46/1371627146.db2.gz DVVPPUGMPWMDNV-RTBURBONSA-N 2 0 327.516 3.177 20 0 EGADRP C[NH+](C)CC1(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)CCCC1 ZINC001208189244 1371630070 /nfs/dbraw/zinc/63/00/70/1371630070.db2.gz SJKBHLCHUAHWHO-ROUUACIJSA-N 2 0 325.516 3.007 20 0 EGADRP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310955 1388149768 /nfs/dbraw/zinc/14/97/68/1388149768.db2.gz MNXZPOHFEVOYNA-MRXNPFEDSA-N 2 0 340.471 3.187 20 0 EGADRP C[N@H+](C1CC1)C1CC[NH+](CC2(c3ccccc3)CCOCC2)CC1 ZINC001208235051 1371670698 /nfs/dbraw/zinc/67/06/98/1371670698.db2.gz WYLOULNAVDVPNW-UHFFFAOYSA-N 2 0 328.500 3.293 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208279088 1371695719 /nfs/dbraw/zinc/69/57/19/1371695719.db2.gz HLRXUDCYWIQQMS-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001208448015 1371769896 /nfs/dbraw/zinc/76/98/96/1371769896.db2.gz TVCVDJKGWCQIFO-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001208597765 1371834701 /nfs/dbraw/zinc/83/47/01/1371834701.db2.gz NNFLBHROPXVLGA-UHFFFAOYSA-N 2 0 328.500 3.282 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001208597475 1371835348 /nfs/dbraw/zinc/83/53/48/1371835348.db2.gz HZFLNHCGOBNPSA-UHFFFAOYSA-N 2 0 327.394 3.190 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC001208604375 1371837283 /nfs/dbraw/zinc/83/72/83/1371837283.db2.gz NQALAKHAWCKFAZ-QGZVFWFLSA-N 2 0 333.495 3.236 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC001208604374 1371837298 /nfs/dbraw/zinc/83/72/98/1371837298.db2.gz NQALAKHAWCKFAZ-KRWDZBQOSA-N 2 0 333.495 3.236 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[C@@]3(CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208617465 1371843994 /nfs/dbraw/zinc/84/39/94/1371843994.db2.gz PGGBWIMSRVKSEQ-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208645973 1371850251 /nfs/dbraw/zinc/85/02/51/1371850251.db2.gz ASMNLQGXDUOYBQ-IEBWSBKVSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208718075 1371872985 /nfs/dbraw/zinc/87/29/85/1371872985.db2.gz NQECGWIGMAICGB-MJGOQNOKSA-N 2 0 345.531 3.031 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]CC3CCCC3)C2)CCCCC1 ZINC001208748530 1371882667 /nfs/dbraw/zinc/88/26/67/1371882667.db2.gz KMEHFOUMQNAZGR-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294975 1371926080 /nfs/dbraw/zinc/92/60/80/1371926080.db2.gz KBZDMEROIQGAGS-SSBRDVDXSA-N 2 0 349.563 3.170 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208878464 1371929813 /nfs/dbraw/zinc/92/98/13/1371929813.db2.gz HQAJVYAZJNMFRX-MJGOQNOKSA-N 2 0 346.471 3.028 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001121325731 1371937391 /nfs/dbraw/zinc/93/73/91/1371937391.db2.gz MQZSQUVKRQNCML-UHFFFAOYSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001121361776 1371949756 /nfs/dbraw/zinc/94/97/56/1371949756.db2.gz ZADGTSJDTBXITJ-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208933032 1371952080 /nfs/dbraw/zinc/95/20/80/1371952080.db2.gz SUYNFAOUUVRYOK-LEWJYISDSA-N 2 0 328.500 3.401 20 0 EGADRP COC(=O)C1(C)CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208935424 1371952508 /nfs/dbraw/zinc/95/25/08/1371952508.db2.gz JDIRVXFKDWMTGS-IBGZPJMESA-N 2 0 344.499 3.174 20 0 EGADRP COC(=O)C[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939131 1371953283 /nfs/dbraw/zinc/95/32/83/1371953283.db2.gz FWLXHNAYFOYVJI-UXHICEINSA-N 2 0 344.499 3.174 20 0 EGADRP C[N@@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001208945826 1371958457 /nfs/dbraw/zinc/95/84/57/1371958457.db2.gz DUSRJGQLDJFUKE-FYYLOGMGSA-N 2 0 349.522 3.497 20 0 EGADRP CCOC(=O)[C@]1(C)CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954662 1371963035 /nfs/dbraw/zinc/96/30/35/1371963035.db2.gz WYWWUKBQWNBNOF-PZJWPPBQSA-N 2 0 344.499 3.174 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142614 1372013472 /nfs/dbraw/zinc/01/34/72/1372013472.db2.gz SUTKJLPNVLKNCS-GUDVDZBRSA-N 2 0 337.552 3.122 20 0 EGADRP CC(=O)OC(C)(C)CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209153321 1372017041 /nfs/dbraw/zinc/01/70/41/1372017041.db2.gz GMOAVRLLDZEVGK-PMACEKPBSA-N 2 0 344.499 3.172 20 0 EGADRP CC[NH+](CC)CCN(CCc1cccs1)CC[NH+](CC)CC ZINC001209226818 1372043980 /nfs/dbraw/zinc/04/39/80/1372043980.db2.gz HFEYXODHIIUPOV-UHFFFAOYSA-N 2 0 325.566 3.276 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001121687806 1372047134 /nfs/dbraw/zinc/04/71/34/1372047134.db2.gz XNORDCLRIKVXJR-WAYWQWQTSA-N 2 0 347.547 3.092 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209278844 1372056105 /nfs/dbraw/zinc/05/61/05/1372056105.db2.gz RSCJADMUSPSQBT-HPFMTEOYSA-N 2 0 347.503 3.282 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121728151 1372061305 /nfs/dbraw/zinc/06/13/05/1372061305.db2.gz OHDVPVNXAVIAHF-DPQRILQASA-N 2 0 349.563 3.336 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001187857830 1388178848 /nfs/dbraw/zinc/17/88/48/1388178848.db2.gz SNSJIXBPFJLVMO-GBESFXJTSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001209418076 1372100766 /nfs/dbraw/zinc/10/07/66/1372100766.db2.gz YADCTCCLUKKFKN-IXDOHACOSA-N 2 0 334.529 3.459 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121859356 1372105904 /nfs/dbraw/zinc/10/59/04/1372105904.db2.gz DMJABPMOMBTVQU-CGAYHSHTSA-N 2 0 349.563 3.312 20 0 EGADRP CC[C@H](C[N@H+](C(C)C)C1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC001209471780 1372114746 /nfs/dbraw/zinc/11/47/46/1372114746.db2.gz DADBVOOCIJNWPB-OAHLLOKOSA-N 2 0 327.513 3.094 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001121895620 1372116963 /nfs/dbraw/zinc/11/69/63/1372116963.db2.gz GDYDTUQSJQSUMW-JSMKSKOISA-N 2 0 347.547 3.211 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122064309 1372166322 /nfs/dbraw/zinc/16/63/22/1372166322.db2.gz XZVUVGMZCOKUSP-SSBRDVDXSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209691392 1372171277 /nfs/dbraw/zinc/17/12/77/1372171277.db2.gz VGVICTUPQWSSKC-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122100924 1372174498 /nfs/dbraw/zinc/17/44/98/1372174498.db2.gz GIKFHZJPVKURBT-VOTSOKGWSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231768 1372207299 /nfs/dbraw/zinc/20/72/99/1372207299.db2.gz WXOAUQRRZYSQGY-IPHBXJNRSA-N 2 0 349.563 3.312 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001210183260 1372289867 /nfs/dbraw/zinc/28/98/67/1372289867.db2.gz MLLCYTVDIMUIHY-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1)c1ccc(F)cc1 ZINC001210219822 1372296676 /nfs/dbraw/zinc/29/66/76/1372296676.db2.gz UMGPNSBDMNSKGM-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210218270 1372296856 /nfs/dbraw/zinc/29/68/56/1372296856.db2.gz QATNWPMGMCUXNY-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001210235895 1372301026 /nfs/dbraw/zinc/30/10/26/1372301026.db2.gz GXASYTMEAQGQTD-KIUVSXKZSA-N 2 0 343.943 3.078 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426497 1372350770 /nfs/dbraw/zinc/35/07/70/1372350770.db2.gz GTBKLFZQHMAYCR-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750981 1372419081 /nfs/dbraw/zinc/41/90/81/1372419081.db2.gz PVBQWMPUXBTSDD-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094752 1372484655 /nfs/dbraw/zinc/48/46/55/1372484655.db2.gz OUPZAPAFWJVRQH-NYQZOWANSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211125644 1372488050 /nfs/dbraw/zinc/48/80/50/1372488050.db2.gz IBYQHFQAXXZJRH-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126155 1372488205 /nfs/dbraw/zinc/48/82/05/1372488205.db2.gz OFUYDNZPSKSMFG-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211258126 1372514611 /nfs/dbraw/zinc/51/46/11/1372514611.db2.gz YUELVVVTEAIRFF-BGEOSOQGSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350056 1372538700 /nfs/dbraw/zinc/53/87/00/1372538700.db2.gz NKYZEZKNCFXIMH-QWFCFKBJSA-N 2 0 343.515 3.060 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366851 1372541166 /nfs/dbraw/zinc/54/11/66/1372541166.db2.gz LZQQMSXHZLHYKF-PFRNKHFKSA-N 2 0 349.563 3.290 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001211366634 1372541203 /nfs/dbraw/zinc/54/12/03/1372541203.db2.gz HJXALKAGKLSAIC-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211376682 1372543727 /nfs/dbraw/zinc/54/37/27/1372543727.db2.gz NRELSNLYINLVJB-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211377228 1372544957 /nfs/dbraw/zinc/54/49/57/1372544957.db2.gz SRPKPKFPUFBJNX-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211702769 1372605786 /nfs/dbraw/zinc/60/57/86/1372605786.db2.gz CFWJJHWUVRQPPI-VQTJNVASSA-N 2 0 345.531 3.103 20 0 EGADRP c1cc2cc(-c3noc(C[NH2+]CC4CC[NH2+]CC4)n3)ccc2s1 ZINC001212320741 1372686048 /nfs/dbraw/zinc/68/60/48/1372686048.db2.gz YWOYVOYLUXMGGQ-UHFFFAOYSA-N 2 0 328.441 3.041 20 0 EGADRP CCN(CC)c1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001212969804 1372808124 /nfs/dbraw/zinc/80/81/24/1372808124.db2.gz AXTNSTXWBGFAFC-UHFFFAOYSA-N 2 0 339.487 3.423 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214597169 1373086909 /nfs/dbraw/zinc/08/69/09/1373086909.db2.gz FNYIYTKWHIAUHZ-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611309 1373089600 /nfs/dbraw/zinc/08/96/00/1373089600.db2.gz ZGHNWMOOIOKVJP-MOZIWPGPSA-N 2 0 335.536 3.042 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214747753 1373114737 /nfs/dbraw/zinc/11/47/37/1373114737.db2.gz USCVMAVRIIKIRP-GDBMZVCRSA-N 2 0 337.533 3.050 20 0 EGADRP O=C(NCC[NH2+]CCCC1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356869 1373118764 /nfs/dbraw/zinc/11/87/64/1373118764.db2.gz QIYGCUYBXZJHKN-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001215153084 1373179929 /nfs/dbraw/zinc/17/99/29/1373179929.db2.gz BFOSJQVVDFUVMM-CRAIPNDOSA-N 2 0 342.487 3.211 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224648 1373189113 /nfs/dbraw/zinc/18/91/13/1373189113.db2.gz VRZMGJXQHCHMDP-MVSSULDISA-N 2 0 347.547 3.044 20 0 EGADRP Clc1cccc(-c2noc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c1 ZINC001326583684 1388247753 /nfs/dbraw/zinc/24/77/53/1388247753.db2.gz LXJWTJBKRRDXRE-UHFFFAOYSA-N 2 0 346.862 3.356 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001215234381 1373189556 /nfs/dbraw/zinc/18/95/56/1373189556.db2.gz RNRSRPUVTZZEBH-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772799 1373341458 /nfs/dbraw/zinc/34/14/58/1373341458.db2.gz LCPPNYRAGQNFPZ-NYQZOWANSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001130304106 1373488347 /nfs/dbraw/zinc/48/83/47/1373488347.db2.gz UIPINCHCVCNDEP-ABHNRTSZSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]1C[C@H](OC[C@@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)CC[NH2+]1 ZINC001217791734 1373500327 /nfs/dbraw/zinc/50/03/27/1373500327.db2.gz PEWHSWYSEMYKAW-YFVAEKQCSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@H]1OC[C@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217917315 1373512357 /nfs/dbraw/zinc/51/23/57/1373512357.db2.gz VUVZGZPIGDAGOA-QFUCXCTJSA-N 2 0 346.515 3.071 20 0 EGADRP C[NH+](C)Cc1ccc(-c2cnc(OC3C[NH2+]C3)c3cccc(O)c32)cc1 ZINC001218052543 1373548288 /nfs/dbraw/zinc/54/82/88/1373548288.db2.gz JORUXSWRDCILDZ-UHFFFAOYSA-N 2 0 349.434 3.020 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2C)c1 ZINC001130658654 1373576154 /nfs/dbraw/zinc/57/61/54/1373576154.db2.gz ILSNNTCVUSNDQQ-OAHLLOKOSA-N 2 0 336.439 3.032 20 0 EGADRP C[C@@H](Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3)C1C[NH2+]C1 ZINC001218198600 1373577144 /nfs/dbraw/zinc/57/71/44/1373577144.db2.gz NTKWMZRGLGGYRR-BDRMCPCVSA-N 2 0 340.511 3.362 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccc(F)cc1 ZINC001130709286 1373583430 /nfs/dbraw/zinc/58/34/30/1373583430.db2.gz ZKVNUGKCQHERED-MOPGFXCFSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)(C[NH3+])c1ccc(NC(=O)c2csc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC001218895339 1373665142 /nfs/dbraw/zinc/66/51/42/1373665142.db2.gz MSUQJZFIIAKOPZ-AWEZNQCLSA-N 2 0 344.484 3.056 20 0 EGADRP N[C@@H](C[NH3+])c1ccc(C(=O)Nc2ccc3sc(Cl)nc3c2)cc1 ZINC001218901395 1373665957 /nfs/dbraw/zinc/66/59/57/1373665957.db2.gz JJQSDUYKXDDVIY-LBPRGKRZSA-N 2 0 346.843 3.161 20 0 EGADRP COc1ccc(-c2ccccc2NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001218952764 1373670583 /nfs/dbraw/zinc/67/05/83/1373670583.db2.gz CFWQYCLCITZHBM-INIZCTEOSA-N 2 0 341.455 3.147 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@@H]3C[NH2+]C[C@H](c4ccccc4)C3)cc2)CCC1 ZINC001218973017 1373673003 /nfs/dbraw/zinc/67/30/03/1373673003.db2.gz VPQCRVPOJCTWSP-MSOLQXFVSA-N 2 0 349.478 3.356 20 0 EGADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205077 1373767707 /nfs/dbraw/zinc/76/77/07/1373767707.db2.gz PMYPGDIPZTYNDW-ZWKOTPCHSA-N 2 0 349.494 3.136 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848190 1373797396 /nfs/dbraw/zinc/79/73/96/1373797396.db2.gz DBTRSLZIMCIAEJ-WKOLEINNSA-N 2 0 347.547 3.138 20 0 EGADRP CCc1cccc(C[NH2+]CCNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001131815696 1373819679 /nfs/dbraw/zinc/81/96/79/1373819679.db2.gz PMRVDPNNDREHNP-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001131822334 1373824185 /nfs/dbraw/zinc/82/41/85/1373824185.db2.gz NIEOSYNNLJPXLE-QGZVFWFLSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2CC[NH+](CC3CCC3)CC2)CCCCC1 ZINC001223929024 1375047642 /nfs/dbraw/zinc/04/76/42/1375047642.db2.gz NXEPORQFJAWMIR-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170458 1375059153 /nfs/dbraw/zinc/05/91/53/1375059153.db2.gz XXWJPHKDWOZSTH-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+]1CCC(CO[C@H]2CCCN(Cc3cnc(Cl)s3)C2)CC1 ZINC001224453022 1375068024 /nfs/dbraw/zinc/06/80/24/1375068024.db2.gz JCKQEDWWMLLVDE-AWEZNQCLSA-N 2 0 343.924 3.119 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001225063841 1375090646 /nfs/dbraw/zinc/09/06/46/1375090646.db2.gz OTEIVKCZFWTFET-WAYWQWQTSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225462879 1375113353 /nfs/dbraw/zinc/11/33/53/1375113353.db2.gz AYGWMHZVAGKTDY-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP CC1CC(C[NH+]2CCC(CNC(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001225465412 1375113480 /nfs/dbraw/zinc/11/34/80/1375113480.db2.gz SWNNKLSKJAOVQA-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132106792 1375151276 /nfs/dbraw/zinc/15/12/76/1375151276.db2.gz VKDWQEXYDWZUSW-IEBWSBKVSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1CCCCC1 ZINC001132106429 1375151904 /nfs/dbraw/zinc/15/19/04/1375151904.db2.gz UICKDXDBNRYLGX-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CC1CC1 ZINC001132142144 1375168941 /nfs/dbraw/zinc/16/89/41/1375168941.db2.gz YAKGQLNNURHLGC-RDJZCZTQSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132204428 1375207823 /nfs/dbraw/zinc/20/78/23/1375207823.db2.gz WFOXPXOZWOJDGG-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211018 1375211326 /nfs/dbraw/zinc/21/13/26/1375211326.db2.gz KZACZZHGDLFKGI-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132211292 1375211827 /nfs/dbraw/zinc/21/18/27/1375211827.db2.gz NYCFJARMSKLZTN-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCC1=CCCCC1 ZINC001132268711 1375256258 /nfs/dbraw/zinc/25/62/58/1375256258.db2.gz AWLIFOIUIZMTDN-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315780 1375292555 /nfs/dbraw/zinc/29/25/55/1375292555.db2.gz VRQVNHYHWINMDN-YZPMEYCISA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132376387 1375338480 /nfs/dbraw/zinc/33/84/80/1375338480.db2.gz MJVGISDMEHFHLL-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380233 1375341540 /nfs/dbraw/zinc/34/15/40/1375341540.db2.gz HDEPOSIDSLWTDM-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP Cn1cc(-c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cc2)cn1 ZINC001327071687 1388372310 /nfs/dbraw/zinc/37/23/10/1388372310.db2.gz AZQPTDWXPNWDBU-HXUWFJFHSA-N 2 0 338.499 3.299 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132410054 1375358804 /nfs/dbraw/zinc/35/88/04/1375358804.db2.gz JHTUQWWNVUJALR-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132420285 1375368352 /nfs/dbraw/zinc/36/83/52/1375368352.db2.gz PZJIRFJQJYPKMV-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132434559 1375378196 /nfs/dbraw/zinc/37/81/96/1375378196.db2.gz YJUXQEGTWKDLKK-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCC2)C1 ZINC001132436790 1375380658 /nfs/dbraw/zinc/38/06/58/1375380658.db2.gz OHUWIUYYKSPYIK-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(CC)c2)C1 ZINC001132441886 1375387064 /nfs/dbraw/zinc/38/70/64/1375387064.db2.gz UYUGCZLIZCBYGF-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227090916 1375388931 /nfs/dbraw/zinc/38/89/31/1375388931.db2.gz IDIJUIBXSOWECT-RTLRUIJZSA-N 2 0 335.536 3.234 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001227224438 1375408931 /nfs/dbraw/zinc/40/89/31/1375408931.db2.gz GMAWNXHUIALIFH-QRVBRYPASA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227303434 1375418192 /nfs/dbraw/zinc/41/81/92/1375418192.db2.gz XXVGRORRFMGCKP-QZTJIDSGSA-N 2 0 328.460 3.011 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227302235 1375418510 /nfs/dbraw/zinc/41/85/10/1375418510.db2.gz HHTREYWBJIMEBD-IFEVLTCRSA-N 2 0 340.471 3.321 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132517424 1375436468 /nfs/dbraw/zinc/43/64/68/1375436468.db2.gz CCQYMRLRVDCLQI-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548994 1375455345 /nfs/dbraw/zinc/45/53/45/1375455345.db2.gz MAICCVFXFOCNHR-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227751024 1375471027 /nfs/dbraw/zinc/47/10/27/1375471027.db2.gz VNRIITDYBBSKEN-QZTJIDSGSA-N 2 0 335.536 3.234 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2cc(C)ccc2C)CC1)[NH+](C)C ZINC001227986613 1375498608 /nfs/dbraw/zinc/49/86/08/1375498608.db2.gz GXEDNTSZIVZEMZ-YLJYHZDGSA-N 2 0 345.531 3.285 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228262613 1375536779 /nfs/dbraw/zinc/53/67/79/1375536779.db2.gz VQVREVFOTBMFTP-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001228266058 1375537485 /nfs/dbraw/zinc/53/74/85/1375537485.db2.gz KARCVBZKHBQJEM-UHFFFAOYSA-N 2 0 328.460 3.109 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001132936897 1375656302 /nfs/dbraw/zinc/65/63/02/1375656302.db2.gz FEZCLTHVYWOCFE-HKUYNNGSSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132956173 1375672211 /nfs/dbraw/zinc/67/22/11/1375672211.db2.gz ZMDSXGPXFPRZHJ-WMZOPIPTSA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973987 1375688456 /nfs/dbraw/zinc/68/84/56/1375688456.db2.gz URNYBKIMKHVFCE-FUHWJXTLSA-N 2 0 342.487 3.068 20 0 EGADRP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001133042611 1375733746 /nfs/dbraw/zinc/73/37/46/1375733746.db2.gz LCTOSJVDUNBTOR-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC)c1ccccc1 ZINC001229213447 1375788339 /nfs/dbraw/zinc/78/83/39/1375788339.db2.gz JTVZSFZFBXUREZ-XUVXKRRUSA-N 2 0 345.531 3.497 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC)C1 ZINC001133185584 1375829685 /nfs/dbraw/zinc/82/96/85/1375829685.db2.gz FYETWNHDKRLPPO-OALUTQOASA-N 2 0 339.568 3.373 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463163 1375840629 /nfs/dbraw/zinc/84/06/29/1375840629.db2.gz ZNMXMLNWGRGGLS-ZMBJWTFHSA-N 2 0 335.536 3.186 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229615801 1375865793 /nfs/dbraw/zinc/86/57/93/1375865793.db2.gz SSDOPTSDIHVERP-PWIZWCRZSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001229633010 1375870172 /nfs/dbraw/zinc/87/01/72/1375870172.db2.gz QMZWOFKSWWQSPF-SBHAEUEKSA-N 2 0 345.531 3.281 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC001229655256 1375872878 /nfs/dbraw/zinc/87/28/78/1375872878.db2.gz DRXWLUWPGDJGCK-HXUWFJFHSA-N 2 0 345.531 3.134 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133262005 1375877155 /nfs/dbraw/zinc/87/71/55/1375877155.db2.gz FIBGKJNGGJCKOU-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001327148614 1388406572 /nfs/dbraw/zinc/40/65/72/1388406572.db2.gz UQRRWOAGGJQWCC-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133338338 1375930537 /nfs/dbraw/zinc/93/05/37/1375930537.db2.gz UIPJEPZFLPCHJJ-FXAWDEMLSA-N 2 0 345.531 3.092 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC001230107520 1375943627 /nfs/dbraw/zinc/94/36/27/1375943627.db2.gz JAQZILUZVHKKKU-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1)[NH+](C)C ZINC001133419529 1375997987 /nfs/dbraw/zinc/99/79/87/1375997987.db2.gz RCOJVWLOBYYBJT-HXUWFJFHSA-N 2 0 345.531 3.136 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230597951 1376093192 /nfs/dbraw/zinc/09/31/92/1376093192.db2.gz ARLFVEDHJGFNQG-OYQYDDJWSA-N 2 0 349.563 3.386 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598679 1376094054 /nfs/dbraw/zinc/09/40/54/1376094054.db2.gz WRTJLEGOEMFZNE-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](CC)CC ZINC001133689647 1376157753 /nfs/dbraw/zinc/15/77/53/1376157753.db2.gz AXBNCKOUVROZTC-PBHICJAKSA-N 2 0 339.911 3.227 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC001133897079 1376255301 /nfs/dbraw/zinc/25/53/01/1376255301.db2.gz YEVXIYHUQWXUKB-QGZVFWFLSA-N 2 0 345.531 3.309 20 0 EGADRP C[N@H+](CC(=O)NCC[NH2+]Cc1ccc2ccccc2c1)CC(C)(C)C ZINC001133908583 1376259571 /nfs/dbraw/zinc/25/95/71/1376259571.db2.gz XSOYFVDYOSYMDL-UHFFFAOYSA-N 2 0 341.499 3.024 20 0 EGADRP c1c2c[nH+]ccc2[nH]c1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001232014568 1376383329 /nfs/dbraw/zinc/38/33/29/1376383329.db2.gz QTSBJRBIQIQKBA-RTBURBONSA-N 2 0 332.451 3.127 20 0 EGADRP Nc1ccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232369825 1376450797 /nfs/dbraw/zinc/45/07/97/1376450797.db2.gz OSSJBYUOPCKUGT-OAQYLSRUSA-N 2 0 336.483 3.152 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCCCCC1 ZINC001134612337 1376624222 /nfs/dbraw/zinc/62/42/22/1376624222.db2.gz LEIGEVOBXJMBMW-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730033 1376682100 /nfs/dbraw/zinc/68/21/00/1376682100.db2.gz SCBGWFGSBVYMOS-ROUUACIJSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730037 1376682618 /nfs/dbraw/zinc/68/26/18/1376682618.db2.gz SCBYYZQNLIVDHB-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134757582 1376703969 /nfs/dbraw/zinc/70/39/69/1376703969.db2.gz QARFLHZJGUFKDG-ROUUACIJSA-N 2 0 331.504 3.026 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001134772774 1376712269 /nfs/dbraw/zinc/71/22/69/1376712269.db2.gz HLFNWPQMPGZAOY-HOTGVXAUSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001134772370 1376712556 /nfs/dbraw/zinc/71/25/56/1376712556.db2.gz COCOPVWAIKXBFW-HOTGVXAUSA-N 2 0 327.557 3.416 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)cc1 ZINC001134772835 1376712743 /nfs/dbraw/zinc/71/27/43/1376712743.db2.gz IETSZQUBULKDKF-IRXDYDNUSA-N 2 0 347.547 3.352 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773352 1376713182 /nfs/dbraw/zinc/71/31/82/1376713182.db2.gz NXTLMXYKRMIARZ-SJORKVTESA-N 2 0 347.547 3.352 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784952 1376718651 /nfs/dbraw/zinc/71/86/51/1376718651.db2.gz YJFOCWOPJWDPEG-IAGOWNOFSA-N 2 0 348.535 3.217 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891017 1376770440 /nfs/dbraw/zinc/77/04/40/1376770440.db2.gz BKXXOWQZIQDVPT-HZPDHXFCSA-N 2 0 342.487 3.401 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001235337600 1376868544 /nfs/dbraw/zinc/86/85/44/1376868544.db2.gz ULSOWMOZWUSWTK-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2O1 ZINC001235429765 1376869641 /nfs/dbraw/zinc/86/96/41/1376869641.db2.gz ZMDNCCJXXLECTE-KGLIPLIRSA-N 2 0 338.398 3.220 20 0 EGADRP Brc1ccoc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427730 1376870639 /nfs/dbraw/zinc/87/06/39/1376870639.db2.gz NAUSVEUGKKBDMH-QWHCGFSZSA-N 2 0 327.266 3.254 20 0 EGADRP COc1ncc(C2CC2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430901 1376871610 /nfs/dbraw/zinc/87/16/10/1376871610.db2.gz YKNUQYNDFFGUKH-SJORKVTESA-N 2 0 329.488 3.179 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]C/C=C\Cl ZINC001135078126 1376882804 /nfs/dbraw/zinc/88/28/04/1376882804.db2.gz ZFRLSKBQBCYJFH-MOHXMTOJSA-N 2 0 343.943 3.266 20 0 EGADRP CCN1CCc2ccc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)cc21 ZINC001235703651 1376884193 /nfs/dbraw/zinc/88/41/93/1376884193.db2.gz ZXUBJNICHQAIPB-UHFFFAOYSA-N 2 0 327.516 3.281 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702831 1376884209 /nfs/dbraw/zinc/88/42/09/1376884209.db2.gz OKOUDUNXLUJPIJ-INIZCTEOSA-N 2 0 344.499 3.306 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081500 1376885323 /nfs/dbraw/zinc/88/53/23/1376885323.db2.gz NIDNVOPESWRCBM-JKCVZHOFSA-N 2 0 337.552 3.480 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135101539 1376900265 /nfs/dbraw/zinc/90/02/65/1376900265.db2.gz MOFNWGZMSSDBDG-ZWKOTPCHSA-N 2 0 345.531 3.243 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102815 1376900622 /nfs/dbraw/zinc/90/06/22/1376900622.db2.gz OIJYYEVGMGTCAV-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP Fc1cccc(Cl)c1CC1CC[NH+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC001235896984 1376913029 /nfs/dbraw/zinc/91/30/29/1376913029.db2.gz JGQJFZGSOQPXOU-OAHLLOKOSA-N 2 0 340.870 3.112 20 0 EGADRP Cc1ccc(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)c(C)c1 ZINC001235947610 1376922436 /nfs/dbraw/zinc/92/24/36/1376922436.db2.gz KTLLUWGNUJFTTF-UHFFFAOYSA-N 2 0 341.524 3.333 20 0 EGADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(F)c(-c4ccccc4)c3)C2)C1 ZINC001236076600 1376932006 /nfs/dbraw/zinc/93/20/06/1376932006.db2.gz CBYDSQQSLBYDPQ-LJQANCHMSA-N 2 0 339.458 3.100 20 0 EGADRP c1cc2n(c1C[N@H+](Cc1ccccc1)C1CCSCC1)CC[NH2+]C2 ZINC001236271195 1376947856 /nfs/dbraw/zinc/94/78/56/1376947856.db2.gz ZCEMGTUFZHYBAP-UHFFFAOYSA-N 2 0 341.524 3.489 20 0 EGADRP Fc1ccc(CN(CC2CC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389147 1376952141 /nfs/dbraw/zinc/95/21/41/1376952141.db2.gz SWJWZIWCRHWODY-FQEVSTJZSA-N 2 0 345.506 3.160 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(-c2cnc(OC3CC[NH2+]CC3)nc2)cc1 ZINC001236447147 1376953061 /nfs/dbraw/zinc/95/30/61/1376953061.db2.gz JUEPYPOPIAJJQE-UHFFFAOYSA-N 2 0 340.471 3.020 20 0 EGADRP c1ccc(-c2[nH]c3ccccc3c2C[N@@H+]2CC[C@]3(C2)CNCCO3)cc1 ZINC001237140935 1376976476 /nfs/dbraw/zinc/97/64/76/1376976476.db2.gz CQFJAVBEPWOXNE-JOCHJYFZSA-N 2 0 347.462 3.399 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299534 1377026994 /nfs/dbraw/zinc/02/69/94/1377026994.db2.gz XPBYMDIFGOYCNG-JKSUJKDBSA-N 2 0 337.508 3.408 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001135299327 1377027052 /nfs/dbraw/zinc/02/70/52/1377027052.db2.gz WDZQHXAQZPIMJC-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1 ZINC001135315115 1377033919 /nfs/dbraw/zinc/03/39/19/1377033919.db2.gz LRRGJZSXDOIPKM-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135316346 1377034351 /nfs/dbraw/zinc/03/43/51/1377034351.db2.gz UNSCLSYGRYXLDK-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246546876 1377052693 /nfs/dbraw/zinc/05/26/93/1377052693.db2.gz NLELCFHLGLZAOF-RQUKQETFSA-N 2 0 327.516 3.384 20 0 EGADRP CC(C)[C@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC[NH2+]1 ZINC001246728027 1377053255 /nfs/dbraw/zinc/05/32/55/1377053255.db2.gz JNUWRLHUFFZZPV-UAFMIMERSA-N 2 0 341.499 3.033 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001135376688 1377061930 /nfs/dbraw/zinc/06/19/30/1377061930.db2.gz XQQWWMQYGTYBAV-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135376242 1377062340 /nfs/dbraw/zinc/06/23/40/1377062340.db2.gz RXMGJVRPSDOAFX-DLBZAZTESA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)cc2cc[nH]c21 ZINC001249525105 1377074638 /nfs/dbraw/zinc/07/46/38/1377074638.db2.gz YRIVUDZPPAUQHR-UHFFFAOYSA-N 2 0 334.483 3.012 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1sccc1Cl ZINC001135436860 1377096684 /nfs/dbraw/zinc/09/66/84/1377096684.db2.gz CZELKHKXHYUIQB-UHFFFAOYSA-N 2 0 345.940 3.119 20 0 EGADRP [NH3+]C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254371758 1377103178 /nfs/dbraw/zinc/10/31/78/1377103178.db2.gz CCJBALBHDYFUBX-OAHLLOKOSA-N 2 0 342.405 3.220 20 0 EGADRP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254509663 1377105550 /nfs/dbraw/zinc/10/55/50/1377105550.db2.gz PDFSKBTWZLXOTJ-XJKSGUPXSA-N 2 0 325.294 3.454 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481764 1377113983 /nfs/dbraw/zinc/11/39/83/1377113983.db2.gz WXMPTOXPNHJHCL-JKSUJKDBSA-N 2 0 339.568 3.273 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135705648 1377190025 /nfs/dbraw/zinc/19/00/25/1377190025.db2.gz GZPMEYQILTYKJH-IAGOWNOFSA-N 2 0 345.531 3.279 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135743351 1377199261 /nfs/dbraw/zinc/19/92/61/1377199261.db2.gz IZXHFVAXMCMTGB-CHWSQXEVSA-N 2 0 345.940 3.116 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001135744092 1377199657 /nfs/dbraw/zinc/19/96/57/1377199657.db2.gz VNRZTQOYDBXOIE-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767850 1377206221 /nfs/dbraw/zinc/20/62/21/1377206221.db2.gz IZVJAGBJTUTVJJ-OALUTQOASA-N 2 0 349.563 3.482 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001266158825 1377210857 /nfs/dbraw/zinc/21/08/57/1377210857.db2.gz XEVXCACBJUUJFJ-MJGOQNOKSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135829874 1377224788 /nfs/dbraw/zinc/22/47/88/1377224788.db2.gz HBHGLQAIYRUJBN-SJORKVTESA-N 2 0 325.541 3.026 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135861934 1377238631 /nfs/dbraw/zinc/23/86/31/1377238631.db2.gz ZGMVORFQTFANII-CLARTRLESA-N 2 0 345.531 3.305 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135861514 1377238734 /nfs/dbraw/zinc/23/87/34/1377238734.db2.gz RXZOHXPOOKNEQN-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CCc1ccc(CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001135861662 1377238736 /nfs/dbraw/zinc/23/87/36/1377238736.db2.gz VFRUPGFEKATBFU-MSOLQXFVSA-N 2 0 347.547 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135861859 1377238804 /nfs/dbraw/zinc/23/88/04/1377238804.db2.gz YIUVIMHLCQJOAX-OALUTQOASA-N 2 0 347.547 3.224 20 0 EGADRP Cc1ccc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001266240330 1377242218 /nfs/dbraw/zinc/24/22/18/1377242218.db2.gz SSVUABQJXGQOCX-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)C1 ZINC001266246087 1377244248 /nfs/dbraw/zinc/24/42/48/1377244248.db2.gz KTZAHZQHJCXDKC-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901842 1377255369 /nfs/dbraw/zinc/25/53/69/1377255369.db2.gz LBBAIBSAPVEUDR-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944191 1377272649 /nfs/dbraw/zinc/27/26/49/1377272649.db2.gz GMERIHSMGUMGIO-HOTGVXAUSA-N 2 0 346.519 3.214 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135943975 1377272669 /nfs/dbraw/zinc/27/26/69/1377272669.db2.gz CPDUWQKRSBYDPO-HOTGVXAUSA-N 2 0 346.519 3.214 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944942 1377273670 /nfs/dbraw/zinc/27/36/70/1377273670.db2.gz SQOBDNHAPSNCQY-DSPBCKRPSA-N 2 0 346.519 3.381 20 0 EGADRP Cc1ccc(CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135966700 1377279154 /nfs/dbraw/zinc/27/91/54/1377279154.db2.gz QJSGWUPGBADESK-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCCC[NH+](C)C ZINC001135973840 1377282576 /nfs/dbraw/zinc/28/25/76/1377282576.db2.gz DPAGNJNSIYBKKC-IAGOWNOFSA-N 2 0 327.557 3.418 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135974391 1377282722 /nfs/dbraw/zinc/28/27/22/1377282722.db2.gz OGOATVBWGASBKH-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001135974610 1377283888 /nfs/dbraw/zinc/28/38/88/1377283888.db2.gz RWOPSVBCRSQZIH-MLQCUJFCSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CCCC[NH+](C)C ZINC001135974493 1377283936 /nfs/dbraw/zinc/28/39/36/1377283936.db2.gz QEAKAWOESTYKLQ-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135980480 1377286443 /nfs/dbraw/zinc/28/64/43/1377286443.db2.gz OSUXOVBGURDKHG-RBAMYAFPSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135979967 1377286584 /nfs/dbraw/zinc/28/65/84/1377286584.db2.gz KRDUXSRZNFPQHN-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1ccsc1 ZINC001136215241 1377365213 /nfs/dbraw/zinc/36/52/13/1377365213.db2.gz CFQYBUBMOBUCJE-MSOLQXFVSA-N 2 0 349.544 3.264 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001267095478 1377412417 /nfs/dbraw/zinc/41/24/17/1377412417.db2.gz ZDKOYWDDALVVHN-UXHICEINSA-N 2 0 343.515 3.080 20 0 EGADRP Cc1c(C(=O)NCC[C@H](C)[NH2+]C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001267133503 1377416568 /nfs/dbraw/zinc/41/65/68/1377416568.db2.gz ICRIRWQUQZXKKQ-HOTGVXAUSA-N 2 0 344.503 3.423 20 0 EGADRP c1ccc(CN2C[C@@H]3C[N@@H+](Cc4cnc5ccccc5c4)C[C@@H]3C2)nc1 ZINC001137279621 1377509513 /nfs/dbraw/zinc/50/95/13/1377509513.db2.gz VTHJAOGSVOGYFE-BGYRXZFFSA-N 2 0 344.462 3.194 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268754344 1377525571 /nfs/dbraw/zinc/52/55/71/1377525571.db2.gz ZCGBYHBGKMNYTO-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001269291522 1377547768 /nfs/dbraw/zinc/54/77/68/1377547768.db2.gz GPUGVTWRLYSEOE-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc2ccccc2s1 ZINC001137684713 1377592047 /nfs/dbraw/zinc/59/20/47/1377592047.db2.gz ZRHDMVIZBKXVIX-ZWKOTPCHSA-N 2 0 329.513 3.112 20 0 EGADRP CN(CC[N@H+](C)CC1CCCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272021192 1377654761 /nfs/dbraw/zinc/65/47/61/1377654761.db2.gz WXGKJSBRKYELMW-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1nccn1-c1ccc(CN2CC[NH+](CC3CCCC3)CC2)cc1 ZINC001138547722 1377740031 /nfs/dbraw/zinc/74/00/31/1377740031.db2.gz RTVCSNSQMLYLTA-UHFFFAOYSA-N 2 0 338.499 3.489 20 0 EGADRP C[N@@H+](Cc1cccc(Oc2ncccn2)c1)CC1CC[NH+](C)CC1 ZINC001138621854 1377754856 /nfs/dbraw/zinc/75/48/56/1377754856.db2.gz BMJIGBGHNYKMPR-UHFFFAOYSA-N 2 0 326.444 3.043 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138683934 1377766507 /nfs/dbraw/zinc/76/65/07/1377766507.db2.gz ZLZHRJCYEUOGLR-UHFFFAOYSA-N 2 0 341.474 3.172 20 0 EGADRP Cc1c[nH]c(CN2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)n1 ZINC001138937234 1377804770 /nfs/dbraw/zinc/80/47/70/1377804770.db2.gz WRDRWQUCNNZMFH-UHFFFAOYSA-N 2 0 330.501 3.268 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001139841060 1377961025 /nfs/dbraw/zinc/96/10/25/1377961025.db2.gz ZSFYTLKWOZGGHE-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccnnc2)CC3)cc1 ZINC001139985059 1377986964 /nfs/dbraw/zinc/98/69/64/1377986964.db2.gz JBSARMMNHHDMNM-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3ccncn3)C[C@@H]21 ZINC001140343331 1378049996 /nfs/dbraw/zinc/04/99/96/1378049996.db2.gz DHTQUDNLSNXBIP-AYOQOUSVSA-N 2 0 342.512 3.271 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140684194 1378113831 /nfs/dbraw/zinc/11/38/31/1378113831.db2.gz GYTNPSNNDDPORA-OALUTQOASA-N 2 0 340.467 3.116 20 0 EGADRP FC(F)(F)CC[NH+]1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001275164338 1378136008 /nfs/dbraw/zinc/13/60/08/1378136008.db2.gz JRIQQOMMKZLDMG-UHFFFAOYSA-N 2 0 344.425 3.014 20 0 EGADRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccsc2c1 ZINC001275532459 1378141492 /nfs/dbraw/zinc/14/14/92/1378141492.db2.gz PDOTXGWMSICFBE-HDICACEKSA-N 2 0 329.513 3.112 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cccc3c1CCCC3)C2 ZINC001275534120 1378141616 /nfs/dbraw/zinc/14/16/16/1378141616.db2.gz XEDJKTBOARQVHY-UHFFFAOYSA-N 2 0 341.543 3.025 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CC3(CC[N@@H+]3C3CCCC3)C2)c1 ZINC001276576407 1378180268 /nfs/dbraw/zinc/18/02/68/1378180268.db2.gz CCQIEIAWQWURRG-UHFFFAOYSA-N 2 0 331.479 3.090 20 0 EGADRP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001140966422 1378195915 /nfs/dbraw/zinc/19/59/15/1378195915.db2.gz XHMZQAGTFJYMMO-UHFFFAOYSA-N 2 0 328.378 3.421 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140982862 1378198485 /nfs/dbraw/zinc/19/84/85/1378198485.db2.gz NSBSDPPURONXJN-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001277473271 1378226562 /nfs/dbraw/zinc/22/65/62/1378226562.db2.gz BOBOTYRWXWCARF-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[NH+](C[C@H]1COCCO1)CC2 ZINC001277524617 1378230686 /nfs/dbraw/zinc/23/06/86/1378230686.db2.gz IKIUMORVCYLEBK-MOPGFXCFSA-N 2 0 338.536 3.016 20 0 EGADRP Cc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(F)c1 ZINC001141191573 1378262889 /nfs/dbraw/zinc/26/28/89/1378262889.db2.gz PBDIMZVZQNLMDF-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001141284566 1378290905 /nfs/dbraw/zinc/29/09/05/1378290905.db2.gz DDPGOFBITHNPTK-UXHICEINSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@@H+](Cc1ccc(OC2CCOCC2)cc1)CC1CC[NH+](C)CC1 ZINC001141410780 1378320464 /nfs/dbraw/zinc/32/04/64/1378320464.db2.gz OFVQAJXWHQNQMW-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP CC[C@H]1CCC[N@@H+]1Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141572844 1378345250 /nfs/dbraw/zinc/34/52/50/1378345250.db2.gz AOMTVAGDMBZTQW-KRWDZBQOSA-N 2 0 348.535 3.078 20 0 EGADRP CC(C)CNC(=O)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC001327517145 1388545683 /nfs/dbraw/zinc/54/56/83/1388545683.db2.gz DVHZIPCTVNBURC-UYAOXDASSA-N 2 0 345.531 3.039 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc5n[nH]cc54)C[C@@H]3C2)cc1 ZINC001143090183 1378537263 /nfs/dbraw/zinc/53/72/63/1378537263.db2.gz MBNFGQBJQANYPQ-BGYRXZFFSA-N 2 0 346.478 3.435 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC001282678221 1378550471 /nfs/dbraw/zinc/55/04/71/1378550471.db2.gz PQTPNIZFXQXNOY-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP O=C(c1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550773 1388558540 /nfs/dbraw/zinc/55/85/40/1388558540.db2.gz KBDKNLRXJKMGJS-UXHICEINSA-N 2 0 341.499 3.029 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717564 1379065166 /nfs/dbraw/zinc/06/51/66/1379065166.db2.gz ZRXXHQLNMKRDHG-SFFCAUCYSA-N 2 0 347.547 3.140 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001147835882 1379088545 /nfs/dbraw/zinc/08/85/45/1379088545.db2.gz WDNNKKWBTSNQPK-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)C)C3)C1 ZINC001148124392 1379121115 /nfs/dbraw/zinc/12/11/15/1379121115.db2.gz CAIWNUPHFMXOCI-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833853 1379279607 /nfs/dbraw/zinc/27/96/07/1379279607.db2.gz NZUQGNHLJVSCFH-OVKVCFKUSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361641 1379704733 /nfs/dbraw/zinc/70/47/33/1379704733.db2.gz LJECSSKYQLYZES-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CC1CCC(C)CC1)[NH+]1CCCCC1 ZINC001152480599 1379940842 /nfs/dbraw/zinc/94/08/42/1379940842.db2.gz XRFHGWJDLVZZLV-CTWPCTMYSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C(=O)N(CC[N@H+](C)CC1CCCCC1)C(C)C)[NH+](C)C ZINC001284553244 1379960824 /nfs/dbraw/zinc/96/08/24/1379960824.db2.gz GOBQDLKHTZFEQK-SFHVURJKSA-N 2 0 325.541 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1=CCCCC1 ZINC001153728231 1380119393 /nfs/dbraw/zinc/11/93/93/1380119393.db2.gz KMOLYPLEGLODNL-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828942 1380139097 /nfs/dbraw/zinc/13/90/97/1380139097.db2.gz UNEIXKGDOFSDGA-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153851119 1380144434 /nfs/dbraw/zinc/14/44/34/1380144434.db2.gz TWGRIRGGNQOVDH-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930491 1380157296 /nfs/dbraw/zinc/15/72/96/1380157296.db2.gz MVQUWCVGNHBFKN-ZHJNCLIFSA-N 2 0 325.541 3.146 20 0 EGADRP CCCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001154000721 1380174994 /nfs/dbraw/zinc/17/49/94/1380174994.db2.gz HYQICHUWXYYKPL-YLJYHZDGSA-N 2 0 347.547 3.306 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123393 1380213061 /nfs/dbraw/zinc/21/30/61/1380213061.db2.gz XZGLFOLCAVSURS-QUCCMNQESA-N 2 0 345.531 3.134 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167559 1380219939 /nfs/dbraw/zinc/21/99/39/1380219939.db2.gz KQPALSCAWITLFQ-LKGOPFMKSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480627 1380285625 /nfs/dbraw/zinc/28/56/25/1380285625.db2.gz AXSFJGRSFFGEIS-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154480687 1380285759 /nfs/dbraw/zinc/28/57/59/1380285759.db2.gz DTPXMXBURMJERM-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844313 1380362884 /nfs/dbraw/zinc/36/28/84/1380362884.db2.gz AWJGDYYMOOFMHB-YHROWNBBSA-N 2 0 337.552 3.290 20 0 EGADRP CCCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C)cc1 ZINC001154904172 1380374549 /nfs/dbraw/zinc/37/45/49/1380374549.db2.gz NLPNIYMGMSIMDK-GOSISDBHSA-N 2 0 347.547 3.308 20 0 EGADRP CC[N@H+](CCCc1ccc(C)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904204 1380374691 /nfs/dbraw/zinc/37/46/91/1380374691.db2.gz PEQGBZLJFZIORB-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066693 1380401569 /nfs/dbraw/zinc/40/15/69/1380401569.db2.gz NHONLDFSYQDQBJ-IEBWSBKVSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C)[NH+](CC)CC ZINC001155174591 1380419611 /nfs/dbraw/zinc/41/96/11/1380419611.db2.gz GLQFEODXWZQZGO-UYAOXDASSA-N 2 0 347.547 3.442 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc2ccccc2o1)[NH+](C)C ZINC001155288903 1380433688 /nfs/dbraw/zinc/43/36/88/1380433688.db2.gz FVIXGTPKBSJFPW-QAPCUYQASA-N 2 0 345.487 3.100 20 0 EGADRP C[NH+](C)Cc1cccc(CNc2cc(Cl)nc3c2CC[NH2+]C3)c1 ZINC001156048205 1380517829 /nfs/dbraw/zinc/51/78/29/1380517829.db2.gz PTEDLSVGICZEOR-UHFFFAOYSA-N 2 0 330.863 3.054 20 0 EGADRP CCCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC)cc1 ZINC001156194877 1380539843 /nfs/dbraw/zinc/53/98/43/1380539843.db2.gz ZYKOAIHKDUOTFZ-GOSISDBHSA-N 2 0 347.547 3.308 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(C)C ZINC001156306919 1380555064 /nfs/dbraw/zinc/55/50/64/1380555064.db2.gz WPNXLKNFZDGWLV-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001156318486 1380557659 /nfs/dbraw/zinc/55/76/59/1380557659.db2.gz BYFJDYYKVZTAQI-YLJYHZDGSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156342266 1380562298 /nfs/dbraw/zinc/56/22/98/1380562298.db2.gz XRNKVSLJMPHXTK-DYESRHJHSA-N 2 0 345.531 3.090 20 0 EGADRP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC001156464825 1380579454 /nfs/dbraw/zinc/57/94/54/1380579454.db2.gz WUWHIXASGAVYNH-OAHLLOKOSA-N 2 0 346.551 3.434 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCCc1ccccc1 ZINC001156530038 1380588829 /nfs/dbraw/zinc/58/88/29/1380588829.db2.gz IHRVGSYYYVLTHN-LJQANCHMSA-N 2 0 347.547 3.178 20 0 EGADRP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156889672 1380719219 /nfs/dbraw/zinc/71/92/19/1380719219.db2.gz BSLYNULWPMTUHH-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109686 1380777495 /nfs/dbraw/zinc/77/74/95/1380777495.db2.gz RASZYGIVHNBKAI-AMQGLKLZSA-N 2 0 337.552 3.434 20 0 EGADRP C[C@H](CCCC(C)(C)O)Nc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001157897902 1381065609 /nfs/dbraw/zinc/06/56/09/1381065609.db2.gz SFLWGNCLCNGIKL-OAHLLOKOSA-N 2 0 335.492 3.296 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158059444 1381115647 /nfs/dbraw/zinc/11/56/47/1381115647.db2.gz BAZXEEPVZBDPRO-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC=C(C)C)C1 ZINC001158398543 1381230815 /nfs/dbraw/zinc/23/08/15/1381230815.db2.gz XBRHFYMEJQHFSB-WOJBJXKFSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001158404183 1381231833 /nfs/dbraw/zinc/23/18/33/1381231833.db2.gz RKUFBNMPRCUTMS-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158446369 1381248310 /nfs/dbraw/zinc/24/83/10/1381248310.db2.gz XEVRCVAWUIXKKL-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1)[NH+](C)C ZINC001158487238 1381264194 /nfs/dbraw/zinc/26/41/94/1381264194.db2.gz XZEROAZGHGGURI-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1)[NH+]1CCCCCC1 ZINC001158550252 1381294309 /nfs/dbraw/zinc/29/43/09/1381294309.db2.gz UDTJLUPQWVEXQY-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001328282163 1388712947 /nfs/dbraw/zinc/71/29/47/1388712947.db2.gz YBYKWANFJZFLCT-MJGOQNOKSA-N 2 0 345.531 3.134 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751592 1381382525 /nfs/dbraw/zinc/38/25/25/1381382525.db2.gz ZLEGMTANUFHENZ-KJYWSYJISA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@@H](C)CC ZINC001158781775 1381396785 /nfs/dbraw/zinc/39/67/85/1381396785.db2.gz RRWIXEFZPVBWGU-ZWKOTPCHSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158914002 1381461099 /nfs/dbraw/zinc/46/10/99/1381461099.db2.gz JBUIOLHDQFARSW-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP c1cnc(OC2CC[NH2+]CC2)c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001159248206 1381743275 /nfs/dbraw/zinc/74/32/75/1381743275.db2.gz POYBJYCGWXUNKJ-GOSISDBHSA-N 2 0 338.455 3.381 20 0 EGADRP c1cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)ccc1C[NH+]1CCCC1 ZINC001159334622 1381767878 /nfs/dbraw/zinc/76/78/78/1381767878.db2.gz ZJSULMOJFOUKEO-LJQANCHMSA-N 2 0 338.455 3.162 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(Nc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001159456618 1381798562 /nfs/dbraw/zinc/79/85/62/1381798562.db2.gz XQRHAJLOCVHZBG-UHFFFAOYSA-N 2 0 336.483 3.436 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cn1 ZINC001159775393 1381896908 /nfs/dbraw/zinc/89/69/08/1381896908.db2.gz HLHVLJVWLBKZKQ-QGZVFWFLSA-N 2 0 340.471 3.233 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC001159786286 1381898929 /nfs/dbraw/zinc/89/89/29/1381898929.db2.gz XQLYPWYSPJJODX-QGZVFWFLSA-N 2 0 333.439 3.246 20 0 EGADRP Cc1sc2ncnc(N[C@H]([NH3+])CCC[NH3+])c2c1-c1ccccc1 ZINC001159786685 1381899496 /nfs/dbraw/zinc/89/94/96/1381899496.db2.gz HGTZCNGJUQEAEI-ZDUSSCGKSA-N 2 0 327.457 3.102 20 0 EGADRP c1[nH+]cn(Cc2ccccc2)c1Nc1ccccc1N1CC[NH2+]CC1 ZINC001159813995 1381909248 /nfs/dbraw/zinc/90/92/48/1381909248.db2.gz HOUOPAZJLMIAHZ-UHFFFAOYSA-N 2 0 333.439 3.085 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC001159838222 1381916841 /nfs/dbraw/zinc/91/68/41/1381916841.db2.gz JVPSSWXQWRSEQS-ICSRJNTNSA-N 2 0 345.531 3.130 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001159855002 1381920234 /nfs/dbraw/zinc/92/02/34/1381920234.db2.gz ZLHONGARTXGAMD-KRWDZBQOSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)cc1 ZINC001159922959 1381937926 /nfs/dbraw/zinc/93/79/26/1381937926.db2.gz BILWXXSKEKWRHJ-UZLBHIALSA-N 2 0 345.531 3.307 20 0 EGADRP CC[NH2+]Cc1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001159956587 1381949088 /nfs/dbraw/zinc/94/90/88/1381949088.db2.gz LMNJREHRPYQTHS-UHFFFAOYSA-N 2 0 339.483 3.414 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2c(F)cccc2N2CC[C@@H]([NH3+])C2)cc1 ZINC001160071904 1381989142 /nfs/dbraw/zinc/98/91/42/1381989142.db2.gz IOIDWHSNCZVMTK-CQSZACIVSA-N 2 0 328.435 3.301 20 0 EGADRP c1ccc(O[C@@H]2CC[NH2+]C2)c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001160166379 1382023052 /nfs/dbraw/zinc/02/30/52/1382023052.db2.gz AVPUUSVXDVAZTE-QZTJIDSGSA-N 2 0 327.472 3.371 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001160169440 1382023560 /nfs/dbraw/zinc/02/35/60/1382023560.db2.gz RMVSYFXADCVPOY-RBUKOAKNSA-N 2 0 349.563 3.291 20 0 EGADRP c1nn(C2CC[NH2+]CC2)cc1Nc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC001160257405 1382051685 /nfs/dbraw/zinc/05/16/85/1382051685.db2.gz ZRNBNFLGDPJWQF-QGZVFWFLSA-N 2 0 339.487 3.093 20 0 EGADRP [NH3+]CCOc1cccc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001160266138 1382055567 /nfs/dbraw/zinc/05/55/67/1382055567.db2.gz RRRNQKIGOLPRFQ-QGZVFWFLSA-N 2 0 325.456 3.310 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@H](C)CC)CC1 ZINC001160285203 1382060793 /nfs/dbraw/zinc/06/07/93/1382060793.db2.gz DWHARUZBTQDTKU-MJGOQNOKSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](C[C@H](C)CC)CC1 ZINC001160285201 1382060956 /nfs/dbraw/zinc/06/09/56/1382060956.db2.gz DWHARUZBTQDTKU-IEBWSBKVSA-N 2 0 335.536 3.045 20 0 EGADRP Nc1cc(Cl)ccc1N(c1ccc2c[nH+]cn2c1)C1CC[NH2+]CC1 ZINC001160293764 1382063873 /nfs/dbraw/zinc/06/38/73/1382063873.db2.gz JMVPTVGHQVPYBD-UHFFFAOYSA-N 2 0 341.846 3.460 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359934 1382082464 /nfs/dbraw/zinc/08/24/64/1382082464.db2.gz GOJPOKCGQGCZBD-HXUWFJFHSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001160369193 1382086006 /nfs/dbraw/zinc/08/60/06/1382086006.db2.gz UMRXOWGULMUGKI-ROUUACIJSA-N 2 0 335.536 3.116 20 0 EGADRP C[N@H+](CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1)C1CCC1 ZINC001160386272 1382090335 /nfs/dbraw/zinc/09/03/35/1382090335.db2.gz QNFGYZAHJZOQDE-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400199 1382094318 /nfs/dbraw/zinc/09/43/18/1382094318.db2.gz LENQWZUPHFKRHE-IEBWSBKVSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001160426933 1382101021 /nfs/dbraw/zinc/10/10/21/1382101021.db2.gz KJZIGVQLFNVWPV-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160870270 1382220130 /nfs/dbraw/zinc/22/01/30/1382220130.db2.gz WVHDZNMQJLEWEX-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(NCCC[NH2+]CC/C=C/c1ccccc1)c1cc2c[nH]ccc-2n1 ZINC001160990069 1382263660 /nfs/dbraw/zinc/26/36/60/1382263660.db2.gz CNHXWDVYHMFNMF-RUDMXATFSA-N 2 0 348.450 3.376 20 0 EGADRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCC2CCCCCC2)CC1 ZINC001161107090 1382299737 /nfs/dbraw/zinc/29/97/37/1382299737.db2.gz YECYWIXYFWMPAP-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001161227334 1382349135 /nfs/dbraw/zinc/34/91/35/1382349135.db2.gz ZJOYWXIRLGQLCO-QGZVFWFLSA-N 2 0 333.520 3.191 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001161240265 1382351971 /nfs/dbraw/zinc/35/19/71/1382351971.db2.gz QTEQYKJSWKCKPM-FQEVSTJZSA-N 2 0 347.547 3.356 20 0 EGADRP C[N@H+](CCC(=O)N(CC(C)(C)C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC001161258506 1382355258 /nfs/dbraw/zinc/35/52/58/1382355258.db2.gz MMFLHDKUNYOQOM-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001161383202 1382391896 /nfs/dbraw/zinc/39/18/96/1382391896.db2.gz MABGRVYZUNVIOP-SFHVURJKSA-N 2 0 347.547 3.189 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1)C(C)C ZINC001161492451 1382421808 /nfs/dbraw/zinc/42/18/08/1382421808.db2.gz XBUCDRSPQYTAPW-HXUWFJFHSA-N 2 0 349.563 3.457 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001161504368 1382424945 /nfs/dbraw/zinc/42/49/45/1382424945.db2.gz JSJSGWYBVHVCPU-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP [NH3+]C1(CC2CCC2)CCN(c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001161576856 1382444439 /nfs/dbraw/zinc/44/44/39/1382444439.db2.gz ZBLVTAIXXIUFCA-UHFFFAOYSA-N 2 0 328.504 3.165 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001161750081 1382495040 /nfs/dbraw/zinc/49/50/40/1382495040.db2.gz VYPKDAKLCNJJPJ-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP CC(C)(C)CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879558 1382537661 /nfs/dbraw/zinc/53/76/61/1382537661.db2.gz OQXKHUYXYSWPFE-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924813 1382554387 /nfs/dbraw/zinc/55/43/87/1382554387.db2.gz MAHJIJDHZFOXEE-CQQBRXBZSA-N 2 0 347.547 3.354 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161988007 1382590505 /nfs/dbraw/zinc/59/05/05/1382590505.db2.gz VVJRGDSRJFWZJZ-UHFFFAOYSA-N 2 0 338.430 3.253 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](Nc2nccc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001162392532 1382746055 /nfs/dbraw/zinc/74/60/55/1382746055.db2.gz GRNLDBZGAQJWIB-MOPGFXCFSA-N 2 0 336.483 3.322 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001162455167 1382761265 /nfs/dbraw/zinc/76/12/65/1382761265.db2.gz BYYFMRKYMFEZEO-AEFFLSMTSA-N 2 0 325.500 3.382 20 0 EGADRP O=C(NCCC[NH2+]CC/C=C\c1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001162617822 1382810677 /nfs/dbraw/zinc/81/06/77/1382810677.db2.gz UJCXLSKJJCMIQG-WTKPLQERSA-N 2 0 348.450 3.147 20 0 EGADRP FC(F)(F)COc1cc[nH+]c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001162815085 1382883373 /nfs/dbraw/zinc/88/33/73/1382883373.db2.gz IIUPAXIJDCHWFS-UHFFFAOYSA-N 2 0 337.345 3.281 20 0 EGADRP Cc1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c(C[NH+](C)C)c1 ZINC001162966407 1382930303 /nfs/dbraw/zinc/93/03/03/1382930303.db2.gz HCZKKUUECPPHJI-SFHVURJKSA-N 2 0 331.504 3.017 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC[NH2+]C[C@H](C)CC)CCc1ccccc1 ZINC001162987683 1382938930 /nfs/dbraw/zinc/93/89/30/1382938930.db2.gz UDUFOAFPTQXGQC-LJQANCHMSA-N 2 0 347.547 3.035 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCc1noc2c1C[NH2+]CC2 ZINC001163135082 1382974037 /nfs/dbraw/zinc/97/40/37/1382974037.db2.gz PFKIHHPLZSFSJX-UHFFFAOYSA-N 2 0 340.471 3.227 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163243383 1383003662 /nfs/dbraw/zinc/00/36/62/1383003662.db2.gz YAGICFJXWCWTFW-GOSISDBHSA-N 2 0 339.568 3.277 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1cccc(F)c1 ZINC001163290422 1383013579 /nfs/dbraw/zinc/01/35/79/1383013579.db2.gz FXGJQWDFPOMVQB-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)cc1C ZINC001163290453 1383013649 /nfs/dbraw/zinc/01/36/49/1383013649.db2.gz HNUGUKCIMNJHHV-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)cc21 ZINC001163653904 1383095674 /nfs/dbraw/zinc/09/56/74/1383095674.db2.gz RVHXAKIBPQTOPS-PZJWPPBQSA-N 2 0 341.499 3.401 20 0 EGADRP CC(C)N(CCC[NH3+])c1nccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164121232 1383158350 /nfs/dbraw/zinc/15/83/50/1383158350.db2.gz HOKKAUYYGQNVLU-UHFFFAOYSA-N 2 0 338.499 3.204 20 0 EGADRP Cc1cc(N2CCN(c3cccc(N(C)C)[nH+]3)CC2)c2ccccc2[nH+]1 ZINC001164199945 1383165380 /nfs/dbraw/zinc/16/53/80/1383165380.db2.gz YDTZMACLESEFGA-UHFFFAOYSA-N 2 0 347.466 3.331 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccsc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164501112 1383193951 /nfs/dbraw/zinc/19/39/51/1383193951.db2.gz SFYINYCWCGKTNT-GOSISDBHSA-N 2 0 349.544 3.141 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001164513637 1383195058 /nfs/dbraw/zinc/19/50/58/1383195058.db2.gz HDFNPCUHYAXNNG-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001164577916 1383201296 /nfs/dbraw/zinc/20/12/96/1383201296.db2.gz WYXOOZWHMKJINV-IEZWGBDMSA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H](C(F)F)C3)c2)CC1 ZINC001165085520 1383225635 /nfs/dbraw/zinc/22/56/35/1383225635.db2.gz DBPQEKPRMLLTPE-ZDUSSCGKSA-N 2 0 325.403 3.036 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)c1occc1C[NH+](C)C)c1ccccc1 ZINC001165245666 1383257331 /nfs/dbraw/zinc/25/73/31/1383257331.db2.gz AOSIBOWCOLMERX-GOSISDBHSA-N 2 0 343.471 3.202 20 0 EGADRP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)CCc2c[nH]cn2)CC1 ZINC001165383190 1383283350 /nfs/dbraw/zinc/28/33/50/1383283350.db2.gz DPNQXYUJNIMRBY-UHFFFAOYSA-N 2 0 334.508 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165472096 1383300214 /nfs/dbraw/zinc/30/02/14/1383300214.db2.gz GWXYYTMMILOWCU-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485126 1383300886 /nfs/dbraw/zinc/30/08/86/1383300886.db2.gz MRAYCMKYHOZQGI-PKOBYXMFSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165569027 1383311973 /nfs/dbraw/zinc/31/19/73/1383311973.db2.gz PMYNUTMRFKJXTI-IBGZPJMESA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001165627567 1383317142 /nfs/dbraw/zinc/31/71/42/1383317142.db2.gz MMGJWEYCWSVDST-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328763752 1388848016 /nfs/dbraw/zinc/84/80/16/1388848016.db2.gz FYNJFYMVNIEJLG-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F)[NH+](CC)CC ZINC001166446256 1383423291 /nfs/dbraw/zinc/42/32/91/1383423291.db2.gz AWMBRDGDIKHMOG-HZPDHXFCSA-N 2 0 347.494 3.028 20 0 EGADRP CC(C)(C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001166545821 1383436531 /nfs/dbraw/zinc/43/65/31/1383436531.db2.gz PHEWWINBHZJDTD-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)ccc1OCC[NH+](C)C ZINC001299149973 1383476015 /nfs/dbraw/zinc/47/60/15/1383476015.db2.gz YTNZOTNOVIZSIF-QGZVFWFLSA-N 2 0 347.503 3.138 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1)[NH+](C)C ZINC001166866834 1383489875 /nfs/dbraw/zinc/48/98/75/1383489875.db2.gz WEBHPGKADCUKMJ-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)c1ccccc1F ZINC001166883779 1383494243 /nfs/dbraw/zinc/49/42/43/1383494243.db2.gz XQPACGYABXJBCD-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP c1cn(-c2cc[nH+]c(N3CC4(CC[NH2+]CC4)c4ccccc43)c2)cn1 ZINC001167069151 1383532402 /nfs/dbraw/zinc/53/24/02/1383532402.db2.gz AVLGZYMOWXNRGG-UHFFFAOYSA-N 2 0 331.423 3.040 20 0 EGADRP COc1ccccc1[C@H](C)N(C)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001167108859 1383541082 /nfs/dbraw/zinc/54/10/82/1383541082.db2.gz JANVBTXMUCOBOX-HNNXBMFYSA-N 2 0 340.471 3.215 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167224911 1383570211 /nfs/dbraw/zinc/57/02/11/1383570211.db2.gz NGMWTZMYPHAAIQ-JLAWEPINSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167236040 1383571991 /nfs/dbraw/zinc/57/19/91/1383571991.db2.gz GKTVUUBFJKWYCO-IEBWSBKVSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001167260701 1383577716 /nfs/dbraw/zinc/57/77/16/1383577716.db2.gz FOSLZFKUHXQJFG-HKUYNNGSSA-N 2 0 345.531 3.272 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385407 1383619170 /nfs/dbraw/zinc/61/91/70/1383619170.db2.gz BNEKSBMOLFNWBF-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC001167443109 1383635671 /nfs/dbraw/zinc/63/56/71/1383635671.db2.gz MRMCBZAFPDKGNS-SFHVURJKSA-N 2 0 347.478 3.413 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]C[C@H](F)CC)CC1 ZINC001167470977 1383643639 /nfs/dbraw/zinc/64/36/39/1383643639.db2.gz MJEOQSZMXWDVJW-QGZVFWFLSA-N 2 0 343.531 3.123 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC2(C[NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC001167523301 1383657921 /nfs/dbraw/zinc/65/79/21/1383657921.db2.gz XFAPOVVQYWNZGY-UHFFFAOYSA-N 2 0 349.563 3.031 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)[NH+]1CCCCCC1 ZINC001167609322 1383688870 /nfs/dbraw/zinc/68/88/70/1383688870.db2.gz NEWSAKIBNDOSML-CWIMXHLESA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001167620754 1383690643 /nfs/dbraw/zinc/69/06/43/1383690643.db2.gz SKKZFLNJBKKBMH-MSOLQXFVSA-N 2 0 331.504 3.108 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001167641091 1383696564 /nfs/dbraw/zinc/69/65/64/1383696564.db2.gz TZYIRWRVDIZLEO-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CCC2CCCCCC2)CC1 ZINC001167668465 1383705505 /nfs/dbraw/zinc/70/55/05/1383705505.db2.gz UVVWEFZANIKLNC-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167685709 1383710030 /nfs/dbraw/zinc/71/00/30/1383710030.db2.gz JXXYNYZACIOHEC-GVDBMIGSSA-N 2 0 339.524 3.048 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC1(C[NH2+]C(C)C)CC1 ZINC001167711123 1383718700 /nfs/dbraw/zinc/71/87/00/1383718700.db2.gz SEZWRYKKAPDBNV-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001167823756 1383749415 /nfs/dbraw/zinc/74/94/15/1383749415.db2.gz MEFZXATUOVOWKN-SESVDKBCSA-N 2 0 344.547 3.241 20 0 EGADRP CCOCc1ncn2c1C[N@@H+]([C@H](C)CCC[NH+](CC)CC)CCC2 ZINC001167826320 1383750151 /nfs/dbraw/zinc/75/01/51/1383750151.db2.gz WXUIBPXAIKWZBP-QGZVFWFLSA-N 2 0 336.524 3.136 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001167825227 1383750318 /nfs/dbraw/zinc/75/03/18/1383750318.db2.gz ICQIWPGRXDWAMX-IAGOWNOFSA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001167826277 1383750464 /nfs/dbraw/zinc/75/04/64/1383750464.db2.gz OERVITYREVPKJQ-QUCCMNQESA-N 2 0 337.552 3.364 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001167827443 1383751137 /nfs/dbraw/zinc/75/11/37/1383751137.db2.gz WCWDDDLBUARIGH-IRXDYDNUSA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2cccc(OC)n2)CC1 ZINC001167834364 1383753473 /nfs/dbraw/zinc/75/34/73/1383753473.db2.gz JCLYAXYLWLVOGF-KRWDZBQOSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(OC)cn2)C1 ZINC001167835561 1383753895 /nfs/dbraw/zinc/75/38/95/1383753895.db2.gz RHHVYZRVNRUCBS-WMZOPIPTSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)n1c2ccccc2nc1N1CC[NH2+]CC1 ZINC001167841914 1383756572 /nfs/dbraw/zinc/75/65/72/1383756572.db2.gz UJVRDWWKTMCOGC-KRWDZBQOSA-N 2 0 343.519 3.129 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001167841969 1383756598 /nfs/dbraw/zinc/75/65/98/1383756598.db2.gz VGTOAHDMWWIXDL-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP COC(=O)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CCCCC1 ZINC001167973072 1383782100 /nfs/dbraw/zinc/78/21/00/1383782100.db2.gz FKGCFWNIAAWFSZ-RAFMOHDBSA-N 2 0 348.531 3.493 20 0 EGADRP CCC(CC)C(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167974328 1383783441 /nfs/dbraw/zinc/78/34/41/1383783441.db2.gz WJWFSUGFZLBFHA-XUBOLADHSA-N 2 0 347.547 3.019 20 0 EGADRP Cc1cnc(CC[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC001168007359 1383795047 /nfs/dbraw/zinc/79/50/47/1383795047.db2.gz RTQXDNCQEKPICV-QZTJIDSGSA-N 2 0 338.499 3.359 20 0 EGADRP C[C@@H]1CC(NC[C@H]2CCC[N@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009771 1383796169 /nfs/dbraw/zinc/79/61/69/1383796169.db2.gz IBRWFXNIONSBMX-QWFCFKBJSA-N 2 0 329.532 3.359 20 0 EGADRP CCOC(=O)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011769 1383797207 /nfs/dbraw/zinc/79/72/07/1383797207.db2.gz SDJPYVWYHBCYPF-IZZQQSIFSA-N 2 0 344.499 3.361 20 0 EGADRP C[C@@H]1C[C@@H](n2cc3c(n2)CC[C@H]([NH3+])C3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018282 1383797856 /nfs/dbraw/zinc/79/78/56/1383797856.db2.gz CMJWHMKXCBZHGQ-JSJNYSNDSA-N 2 0 338.499 3.313 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168019375 1383798360 /nfs/dbraw/zinc/79/83/60/1383798360.db2.gz IKKBJQNYJAQYGH-KZNAEPCWSA-N 2 0 338.499 3.439 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019373 1383798740 /nfs/dbraw/zinc/79/87/40/1383798740.db2.gz IKKBJQNYJAQYGH-FTEYMNFISA-N 2 0 338.499 3.439 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccncc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168035046 1383801263 /nfs/dbraw/zinc/80/12/63/1383801263.db2.gz SIRIOWDSXZRLDZ-HRQSHJORSA-N 2 0 339.483 3.146 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039484 1383802163 /nfs/dbraw/zinc/80/21/63/1383802163.db2.gz FQKPOYAOKJNQEM-HNJRGHQBSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@H]1CC(N2CC([NH+]3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051341 1383804406 /nfs/dbraw/zinc/80/44/06/1383804406.db2.gz HLUJTTUOFBHBBU-ROUUACIJSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]1CC(N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064216 1383807909 /nfs/dbraw/zinc/80/79/09/1383807909.db2.gz OYZWTCHJWFLZEE-LFGUQSLTSA-N 2 0 327.516 3.206 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168198094 1383841545 /nfs/dbraw/zinc/84/15/45/1383841545.db2.gz JBWDHOPZTSAXEQ-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001168250590 1383853839 /nfs/dbraw/zinc/85/38/39/1383853839.db2.gz BMWSKALZWXZSLZ-HXUWFJFHSA-N 2 0 328.500 3.407 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001168291439 1383865280 /nfs/dbraw/zinc/86/52/80/1383865280.db2.gz XIHBVGYGCOEFCM-CALCHBBNSA-N 2 0 337.552 3.172 20 0 EGADRP COc1ccc(CC2([NH2+]C3CCC([NH+](C)C)CC3)CCOCC2)cc1 ZINC001168304942 1383868567 /nfs/dbraw/zinc/86/85/67/1383868567.db2.gz BURYMBWJXCDERK-UHFFFAOYSA-N 2 0 346.515 3.249 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)CCc2cccc(C(F)(F)F)n2)CC1 ZINC001168316328 1383871155 /nfs/dbraw/zinc/87/11/55/1383871155.db2.gz XVAOXEFTRXBISY-UHFFFAOYSA-N 2 0 329.410 3.448 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001168324025 1383873386 /nfs/dbraw/zinc/87/33/86/1383873386.db2.gz GRZLQNIHQDIXTA-UHFFFAOYSA-N 2 0 339.524 3.238 20 0 EGADRP COc1ccccc1[C@H](O)C[N@H+](C(C)C)C1CCC([NH+](C)C)CC1 ZINC001168327876 1383874425 /nfs/dbraw/zinc/87/44/25/1383874425.db2.gz RTKHXXDAJCXBOH-FAFZWHIHSA-N 2 0 334.504 3.312 20 0 EGADRP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)c1 ZINC001168329707 1383875535 /nfs/dbraw/zinc/87/55/35/1383875535.db2.gz DLLMYXZYXCHYCC-ACBHZAAOSA-N 2 0 330.472 3.483 20 0 EGADRP CCOC(=O)CCc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168365681 1383884013 /nfs/dbraw/zinc/88/40/13/1383884013.db2.gz DIVZORKHXXZVOV-UHFFFAOYSA-N 2 0 344.499 3.146 20 0 EGADRP c1cncc(OCC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168374277 1383887844 /nfs/dbraw/zinc/88/78/44/1383887844.db2.gz YHUQFZFFBKUZGO-UHFFFAOYSA-N 2 0 329.488 3.047 20 0 EGADRP CN(C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001168394551 1383895369 /nfs/dbraw/zinc/89/53/69/1383895369.db2.gz BQVWYGNJUBBRCJ-QFIPXVFZSA-N 2 0 341.543 3.457 20 0 EGADRP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001168413003 1383900628 /nfs/dbraw/zinc/90/06/28/1383900628.db2.gz VHEVNKXPNYHHRI-CZYKHXBRSA-N 2 0 336.454 3.403 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001168456317 1383911019 /nfs/dbraw/zinc/91/10/19/1383911019.db2.gz PCENHRBPWJQXDS-QGZVFWFLSA-N 2 0 341.474 3.298 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]CCCC[NH+]3CCCC3)CCO2)cc1 ZINC001168582227 1383941615 /nfs/dbraw/zinc/94/16/15/1383941615.db2.gz CVQDTBSZXIHGQD-QUCCMNQESA-N 2 0 332.488 3.381 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]C3CCC(CC[NH3+])CC3)CCO2)cc1 ZINC001168614882 1383949367 /nfs/dbraw/zinc/94/93/67/1383949367.db2.gz MFPTZFSWNFMEQI-ZLJKYQPZSA-N 2 0 332.488 3.413 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([N@H+](C)CCC[NH+]3CCCC3)CCO2)cc1 ZINC001168654851 1383959655 /nfs/dbraw/zinc/95/96/55/1383959655.db2.gz WJDRPTPRJCCFNR-QUCCMNQESA-N 2 0 332.488 3.333 20 0 EGADRP Clc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001168704046 1383974778 /nfs/dbraw/zinc/97/47/78/1383974778.db2.gz DAAIWHAIIIZUSD-QGZVFWFLSA-N 2 0 348.918 3.288 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001168763955 1383995835 /nfs/dbraw/zinc/99/58/35/1383995835.db2.gz VJCBRTRUXPTZPR-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)CC(C)(C)CC[NH3+] ZINC001168828534 1384022516 /nfs/dbraw/zinc/02/25/16/1384022516.db2.gz HTCWGRDVECLVFV-JYJNAYRXSA-N 2 0 341.540 3.375 20 0 EGADRP [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1c[nH+]cc2cc[nH]c21 ZINC001168996137 1384082128 /nfs/dbraw/zinc/08/21/28/1384082128.db2.gz PZSCPOCANWREDX-UHFFFAOYSA-N 2 0 325.803 3.447 20 0 EGADRP CC(C)C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001169108693 1384108135 /nfs/dbraw/zinc/10/81/35/1384108135.db2.gz VPYBDEAPGDXIDB-LUKYLMHMSA-N 2 0 339.524 3.141 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169117880 1384109012 /nfs/dbraw/zinc/10/90/12/1384109012.db2.gz BEOIHXSLNNJNFJ-REPLKXPHSA-N 2 0 347.934 3.301 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001169152238 1384115872 /nfs/dbraw/zinc/11/58/72/1384115872.db2.gz AAFUAYKMUNSCRM-WKCHPHFGSA-N 2 0 339.527 3.210 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC001308365120 1384121971 /nfs/dbraw/zinc/12/19/71/1384121971.db2.gz CAWBSVUCRNRBNO-AZUAARDMSA-N 2 0 329.532 3.219 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169230865 1384125299 /nfs/dbraw/zinc/12/52/99/1384125299.db2.gz NCTIZBZJTHIAEC-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP CCCOc1cccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC001308486885 1384128543 /nfs/dbraw/zinc/12/85/43/1384128543.db2.gz BEKYXQNHQHVSMX-UHFFFAOYSA-N 2 0 340.471 3.234 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169269015 1384130309 /nfs/dbraw/zinc/13/03/09/1384130309.db2.gz SZSRFLWWIYNOLT-UHFFFAOYSA-N 2 0 344.499 3.476 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC001308640843 1384138394 /nfs/dbraw/zinc/13/83/94/1384138394.db2.gz HWFQBBCGCKUMJJ-OAHLLOKOSA-N 2 0 339.886 3.379 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@@H](C)C3)C[C@@H]2C)C1 ZINC001169511530 1384155588 /nfs/dbraw/zinc/15/55/88/1384155588.db2.gz WIYPPXMGCJGXKP-RWSVBZTMSA-N 2 0 349.563 3.155 20 0 EGADRP CCOC(=O)C1(C)CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001308897325 1384157394 /nfs/dbraw/zinc/15/73/94/1384157394.db2.gz JJHSZCBHEAEVJI-SAIHOINMSA-N 2 0 344.499 3.076 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001308897946 1384157611 /nfs/dbraw/zinc/15/76/11/1384157611.db2.gz QZGTWQCPUQOQSK-MAUKXSAKSA-N 2 0 336.439 3.081 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001169542431 1384157676 /nfs/dbraw/zinc/15/76/76/1384157676.db2.gz VTXWNSQLKHHJAU-LMMKCTJWSA-N 2 0 345.531 3.180 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2c(c1)COC21C[NH2+]C1 ZINC001169689959 1384174189 /nfs/dbraw/zinc/17/41/89/1384174189.db2.gz JTYLAWZPTFGQNS-IBGZPJMESA-N 2 0 335.451 3.255 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2c(c1)COC21C[NH2+]C1 ZINC001169689960 1384174344 /nfs/dbraw/zinc/17/43/44/1384174344.db2.gz JTYLAWZPTFGQNS-LJQANCHMSA-N 2 0 335.451 3.255 20 0 EGADRP COc1ccc2[nH+]c(C)cc(-n3cc(CC[NH3+])c4ncccc43)c2c1 ZINC001169710901 1384176415 /nfs/dbraw/zinc/17/64/15/1384176415.db2.gz SVOXVUSVRJPTSP-UHFFFAOYSA-N 2 0 332.407 3.392 20 0 EGADRP C[NH+](C)CCC(C)(C)Nc1c[nH+]c2cc(Br)ccn12 ZINC001169718252 1384177770 /nfs/dbraw/zinc/17/77/70/1384177770.db2.gz JWSCIDHWZBKGHR-UHFFFAOYSA-N 2 0 325.254 3.239 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(NCC23CC[NH+](CC2)CC3)cc1 ZINC001169802282 1384187286 /nfs/dbraw/zinc/18/72/86/1384187286.db2.gz KZIGLVLLGHJELZ-WOJBJXKFSA-N 2 0 343.515 3.371 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001169958482 1384204373 /nfs/dbraw/zinc/20/43/73/1384204373.db2.gz MARQEOPBPOCQTP-MRXNPFEDSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001170138895 1384245826 /nfs/dbraw/zinc/24/58/26/1384245826.db2.gz SOBLJEYXLAXJKZ-JFHUYLGKSA-N 2 0 342.531 3.247 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001170540863 1384337337 /nfs/dbraw/zinc/33/73/37/1384337337.db2.gz UXXRYHIEJWEQPS-RSPOEFSDSA-N 2 0 344.499 3.076 20 0 EGADRP Fc1cc(F)c2c(c1)CC[C@@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001170686416 1384365843 /nfs/dbraw/zinc/36/58/43/1384365843.db2.gz ZPPFSVFESVIDNU-QGZVFWFLSA-N 2 0 329.394 3.039 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001170784009 1384384498 /nfs/dbraw/zinc/38/44/98/1384384498.db2.gz CAAKBCLOLGZCIS-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170817107 1384390791 /nfs/dbraw/zinc/39/07/91/1384390791.db2.gz KVJBFKKPLIZNBQ-XLIONFOSSA-N 2 0 347.547 3.093 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]CCC1CCCC1)c1ccccc1 ZINC001170867362 1384401386 /nfs/dbraw/zinc/40/13/86/1384401386.db2.gz FGGOKZAIOSUCGC-HXUWFJFHSA-N 2 0 345.531 3.356 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001170872404 1384402347 /nfs/dbraw/zinc/40/23/47/1384402347.db2.gz WVUIECWZWRAWBO-NZSAHSFTSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(-c2csc3ncnc(N[C@@H]([NH3+])CCC[NH3+])c23)s1 ZINC001170897570 1384407590 /nfs/dbraw/zinc/40/75/90/1384407590.db2.gz NWTWCFYIFZFQNZ-GFCCVEGCSA-N 2 0 333.486 3.164 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001171162104 1384458571 /nfs/dbraw/zinc/45/85/71/1384458571.db2.gz ULSVXPZXNUJCRF-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC001171173627 1384460566 /nfs/dbraw/zinc/46/05/66/1384460566.db2.gz CUQFNCYUOYJBTH-VQTJNVASSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237170 1384476583 /nfs/dbraw/zinc/47/65/83/1384476583.db2.gz PKVIVKGZJPVHQB-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238239 1384476700 /nfs/dbraw/zinc/47/67/00/1384476700.db2.gz SLCHIPMLYLRVER-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171247743 1384477555 /nfs/dbraw/zinc/47/75/55/1384477555.db2.gz NUYAEOJERRGCII-YLJYHZDGSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247941 1384477612 /nfs/dbraw/zinc/47/76/12/1384477612.db2.gz PEJBAYVDDNQGGR-SJLPKXTDSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246989 1384477736 /nfs/dbraw/zinc/47/77/36/1384477736.db2.gz JEMNCGCREIEHKH-RDJZCZTQSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248413 1384478004 /nfs/dbraw/zinc/47/80/04/1384478004.db2.gz UOZSGXNTJRKUDT-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248657 1384478220 /nfs/dbraw/zinc/47/82/20/1384478220.db2.gz WZHHHHCKGDXSPR-QFBILLFUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260474 1384480840 /nfs/dbraw/zinc/48/08/40/1384480840.db2.gz ITRLFYXDKGYDCF-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261193 1384481424 /nfs/dbraw/zinc/48/14/24/1384481424.db2.gz RLITYMWDEJBBCS-QZTJIDSGSA-N 2 0 345.531 3.497 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001171366634 1384503013 /nfs/dbraw/zinc/50/30/13/1384503013.db2.gz BDVMZALPJCYOSD-MJGOQNOKSA-N 2 0 337.552 3.338 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001171500660 1384543123 /nfs/dbraw/zinc/54/31/23/1384543123.db2.gz NEJNUQCLPNVJAC-AZUAARDMSA-N 2 0 347.547 3.408 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171537426 1384555824 /nfs/dbraw/zinc/55/58/24/1384555824.db2.gz CFHBETSSSVHWSC-HMTUNPETSA-N 2 0 337.552 3.482 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171613450 1384580454 /nfs/dbraw/zinc/58/04/54/1384580454.db2.gz JZUCPWQZMMRTOE-UHFFFAOYSA-N 2 0 339.524 3.283 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1(C)C ZINC001171638452 1384588383 /nfs/dbraw/zinc/58/83/83/1384588383.db2.gz YGPZVNPYGGRGMP-QGZVFWFLSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)N1CCC2(CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)C1=O ZINC001171641693 1384590166 /nfs/dbraw/zinc/59/01/66/1384590166.db2.gz TYFQDMAOEAYEEQ-UHFFFAOYSA-N 2 0 349.563 3.361 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669008 1384596603 /nfs/dbraw/zinc/59/66/03/1384596603.db2.gz PMBDXPPWYVAULI-SFHVURJKSA-N 2 0 337.552 3.460 20 0 EGADRP C[C@H]1C[C@@H](n2nc(-c3ccncc3)cc2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171733981 1384619528 /nfs/dbraw/zinc/61/95/28/1384619528.db2.gz KVMKHJFKESZHGB-OXJNMPFZSA-N 2 0 347.466 3.239 20 0 EGADRP C[C@H]1C[C@@H](N2CCC([NH3+])(CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171738232 1384620765 /nfs/dbraw/zinc/62/07/65/1384620765.db2.gz HZWYOIHGPYDNKL-FXAWDEMLSA-N 2 0 327.516 3.243 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001171762367 1384628575 /nfs/dbraw/zinc/62/85/75/1384628575.db2.gz BCOYLTQKAYMJKE-QGZVFWFLSA-N 2 0 347.547 3.483 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812786 1384647550 /nfs/dbraw/zinc/64/75/50/1384647550.db2.gz TXKHBADQWHVSHC-INIZCTEOSA-N 2 0 330.476 3.403 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171867476 1384666132 /nfs/dbraw/zinc/66/61/32/1384666132.db2.gz ZEVOIKZLAQHTLE-IBGZPJMESA-N 2 0 343.515 3.144 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001171939688 1384689658 /nfs/dbraw/zinc/68/96/58/1384689658.db2.gz BIXIJKZYKZBYJB-UHFFFAOYSA-N 2 0 346.515 3.392 20 0 EGADRP Cc1nccn1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967593 1384698652 /nfs/dbraw/zinc/69/86/52/1384698652.db2.gz MLYYHUBQAVTBCJ-IBGZPJMESA-N 3 0 326.488 3.224 20 0 EGADRP CC1(C)C[C@H](N2C[C@H](F)C[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976252 1384700613 /nfs/dbraw/zinc/70/06/13/1384700613.db2.gz JOJBJYGXOWJWLC-IPMKNSEASA-N 2 0 334.479 3.082 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005894 1384708971 /nfs/dbraw/zinc/70/89/71/1384708971.db2.gz RWAIORISQANAPC-MISYRCLQSA-N 2 0 347.547 3.292 20 0 EGADRP C[NH+]1CCC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172064046 1384715333 /nfs/dbraw/zinc/71/53/33/1384715333.db2.gz DWQHORMUPZYNDN-WKCHPHFGSA-N 2 0 327.516 3.256 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001172098983 1384726106 /nfs/dbraw/zinc/72/61/06/1384726106.db2.gz HPMOJTMCEQUBMX-QKDCVEJESA-N 2 0 343.393 3.128 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3c1cccc3N1CC[NH2+]CC1)C2 ZINC001172120984 1384734328 /nfs/dbraw/zinc/73/43/28/1384734328.db2.gz AYXZNISUNBNJMR-BCDXTJNWSA-N 2 0 338.499 3.239 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133254 1384738274 /nfs/dbraw/zinc/73/82/74/1384738274.db2.gz QLJJZUJGSPXOTQ-SQEGATDGSA-N 2 0 325.500 3.070 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172216930 1384750111 /nfs/dbraw/zinc/75/01/11/1384750111.db2.gz STDRUKAHKVDALH-XHMYCBFFSA-N 2 0 326.484 3.482 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](c2cccc(OC)c2)C2CC2)CC1 ZINC001172250623 1384755582 /nfs/dbraw/zinc/75/55/82/1384755582.db2.gz ZLDFFKPLYQIPJA-HXUWFJFHSA-N 2 0 332.488 3.237 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)(C)C)CC2)[NH+](C)C ZINC001316998919 1384755655 /nfs/dbraw/zinc/75/56/55/1384755655.db2.gz RLRJIWRXBWIIBT-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001317005780 1384766938 /nfs/dbraw/zinc/76/69/38/1384766938.db2.gz NKWUMEVQOVNEDP-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001172320325 1384770013 /nfs/dbraw/zinc/77/00/13/1384770013.db2.gz WYKIZZQSRMAKAJ-ZWKOTPCHSA-N 2 0 333.520 3.122 20 0 EGADRP CCCC[C@@H]1C[C@H](N2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640492 1384824953 /nfs/dbraw/zinc/82/49/53/1384824953.db2.gz OGRGURVXEQBDKP-GVDBMIGSSA-N 2 0 339.524 3.368 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001317069275 1384838497 /nfs/dbraw/zinc/83/84/97/1384838497.db2.gz IQIFGUOXUXPAOY-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)Cc1ccc(F)cc1Cl ZINC001172856321 1384866251 /nfs/dbraw/zinc/86/62/51/1384866251.db2.gz KFIIXVDAUWIUNQ-CQSZACIVSA-N 2 0 329.891 3.013 20 0 EGADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172883334 1384872582 /nfs/dbraw/zinc/87/25/82/1384872582.db2.gz RQDPRUUQBYFUDO-HNNXBMFYSA-N 2 0 341.952 3.048 20 0 EGADRP C[C@H]1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001173067569 1384905915 /nfs/dbraw/zinc/90/59/15/1384905915.db2.gz BWMNCHHDKUQZRH-RDJZCZTQSA-N 2 0 339.524 3.048 20 0 EGADRP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173079061 1384909252 /nfs/dbraw/zinc/90/92/52/1384909252.db2.gz INHZFRJSHVNNTO-BMFZPTHFSA-N 2 0 342.405 3.400 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccnc(OCC3CC3)n2)CC1 ZINC001173107162 1384916410 /nfs/dbraw/zinc/91/64/10/1384916410.db2.gz XQCFDZRHUXZFRX-UHFFFAOYSA-N 2 0 332.492 3.008 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001173110999 1384916849 /nfs/dbraw/zinc/91/68/49/1384916849.db2.gz WIJQVROBCVLJTN-UHFFFAOYSA-N 2 0 327.476 3.010 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC001173112648 1384916867 /nfs/dbraw/zinc/91/68/67/1384916867.db2.gz YQBDPPSZIAGTGM-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)CC1 ZINC001173110779 1384916924 /nfs/dbraw/zinc/91/69/24/1384916924.db2.gz XPGUAMUGAAWORF-LBXVMSDZSA-N 2 0 341.499 3.152 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)CC1 ZINC001173114078 1384917672 /nfs/dbraw/zinc/91/76/72/1384917672.db2.gz VENMUWJKMVPIMD-CTWPCTMYSA-N 2 0 346.519 3.281 20 0 EGADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001173174811 1384931122 /nfs/dbraw/zinc/93/11/22/1384931122.db2.gz CTKRSTFCUBDQIM-OYNPSCLESA-N 2 0 328.500 3.398 20 0 EGADRP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001173254317 1384945371 /nfs/dbraw/zinc/94/53/71/1384945371.db2.gz FOYZBMYJXKAZTI-ZRNYENFQSA-N 2 0 347.551 3.278 20 0 EGADRP COC(=O)CCCC[C@H](C)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445356 1384972242 /nfs/dbraw/zinc/97/22/42/1384972242.db2.gz YJHDILFWMNRZFO-LNLFQRSKSA-N 2 0 347.503 3.275 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317206100 1384982233 /nfs/dbraw/zinc/98/22/33/1384982233.db2.gz RDSBHMDQWUAIFK-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173665595 1384999590 /nfs/dbraw/zinc/99/95/90/1384999590.db2.gz BAJXLUKKYJRLBH-FZNQNYSPSA-N 2 0 335.458 3.256 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC001173717880 1385008553 /nfs/dbraw/zinc/00/85/53/1385008553.db2.gz USVDEOKZSRDHTF-QGZVFWFLSA-N 2 0 332.488 3.260 20 0 EGADRP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173740396 1385012141 /nfs/dbraw/zinc/01/21/41/1385012141.db2.gz MIEHWASSEXHYJR-QZTJIDSGSA-N 2 0 336.528 3.039 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001317280600 1385051232 /nfs/dbraw/zinc/05/12/32/1385051232.db2.gz SVVDXDDLWXGDFT-DLBZAZTESA-N 2 0 341.499 3.337 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317281478 1385052246 /nfs/dbraw/zinc/05/22/46/1385052246.db2.gz XREFQCCNLOBBJE-WWDZGPRUSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905682 1385168445 /nfs/dbraw/zinc/16/84/45/1385168445.db2.gz MDVXJOISGDARHX-BZSNNMDCSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949082 1385173417 /nfs/dbraw/zinc/17/34/17/1385173417.db2.gz PVXLHJZTKDZHMM-GOSISDBHSA-N 2 0 349.563 3.483 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175041708 1385185498 /nfs/dbraw/zinc/18/54/98/1385185498.db2.gz QDXLCVXQCZFDGK-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175049264 1385186464 /nfs/dbraw/zinc/18/64/64/1385186464.db2.gz RNMXBNDZCDVPMY-SFHVURJKSA-N 2 0 333.520 3.020 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001175057248 1385187473 /nfs/dbraw/zinc/18/74/73/1385187473.db2.gz YBMMLQQCFBXUCV-INIZCTEOSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001175057327 1385187495 /nfs/dbraw/zinc/18/74/95/1385187495.db2.gz ZZYHEMUBACBWPE-HOTGVXAUSA-N 2 0 337.483 3.103 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H](C)c1cccc(F)c1 ZINC001317493299 1385194511 /nfs/dbraw/zinc/19/45/11/1385194511.db2.gz VTBJJCUJOQLCLH-KRWDZBQOSA-N 2 0 349.494 3.201 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257264 1385232037 /nfs/dbraw/zinc/23/20/37/1385232037.db2.gz XYNQJSOOWAODHS-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262405 1385233380 /nfs/dbraw/zinc/23/33/80/1385233380.db2.gz GFRGISPVBUQRAV-ROUUACIJSA-N 2 0 339.568 3.419 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175265109 1385234205 /nfs/dbraw/zinc/23/42/05/1385234205.db2.gz XIDAOOSRQCGIIT-FNYRVFDFSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263790 1385234820 /nfs/dbraw/zinc/23/48/20/1385234820.db2.gz RINFPEMZFSKPNO-QZTJIDSGSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001175315330 1385249228 /nfs/dbraw/zinc/24/92/28/1385249228.db2.gz DQLDWEHNGIFLQR-MJGOQNOKSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001317635475 1385366787 /nfs/dbraw/zinc/36/67/87/1385366787.db2.gz CHYUQDSTPBFBDG-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001317745960 1385434012 /nfs/dbraw/zinc/43/40/12/1385434012.db2.gz DHHFINYNLOFMBK-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176022908 1385463569 /nfs/dbraw/zinc/46/35/69/1385463569.db2.gz DCMRZMXRCFMZBK-MSOLQXFVSA-N 2 0 333.520 3.354 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176023801 1385464333 /nfs/dbraw/zinc/46/43/33/1385464333.db2.gz IRNJLBBNGZZHLV-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176024955 1385464838 /nfs/dbraw/zinc/46/48/38/1385464838.db2.gz VOTUASIZYAIAAK-HZPDHXFCSA-N 2 0 347.494 3.028 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185025 1385505051 /nfs/dbraw/zinc/50/50/51/1385505051.db2.gz RRJCEEYYYHSCQX-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(CC)cc1 ZINC001176283939 1385538591 /nfs/dbraw/zinc/53/85/91/1385538591.db2.gz BIIUSSZIBBTQMZ-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC001317977141 1385595327 /nfs/dbraw/zinc/59/53/27/1385595327.db2.gz DNOJOSGJWZPDET-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001176564339 1385626591 /nfs/dbraw/zinc/62/65/91/1385626591.db2.gz OJMBRUVQECVOTO-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176574044 1385629327 /nfs/dbraw/zinc/62/93/27/1385629327.db2.gz QILGJVHIEXLGSM-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574094 1385629455 /nfs/dbraw/zinc/62/94/55/1385629455.db2.gz QVIAJZRXHYZHTN-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001176590623 1385633952 /nfs/dbraw/zinc/63/39/52/1385633952.db2.gz CPMZMINQRQHMFJ-QZTJIDSGSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629544 1385643242 /nfs/dbraw/zinc/64/32/42/1385643242.db2.gz ZAWBVEWUNYITGB-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176754387 1385684090 /nfs/dbraw/zinc/68/40/90/1385684090.db2.gz UHQCLDVIMZSELI-YLJYHZDGSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001176758806 1385685988 /nfs/dbraw/zinc/68/59/88/1385685988.db2.gz FMLPEENYDYYSON-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001318430280 1385686851 /nfs/dbraw/zinc/68/68/51/1385686851.db2.gz YJDVAEMQUFUQRT-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001176760272 1385686917 /nfs/dbraw/zinc/68/69/17/1385686917.db2.gz SLPJIABKVIWZNI-JLAWEPINSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC001176844617 1385722486 /nfs/dbraw/zinc/72/24/86/1385722486.db2.gz MHEDOCOFZTYJSD-KDURUIRLSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176856127 1385725295 /nfs/dbraw/zinc/72/52/95/1385725295.db2.gz IRNZLFMKZTWQLH-QZTJIDSGSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176992266 1385765310 /nfs/dbraw/zinc/76/53/10/1385765310.db2.gz KYTJXAYEUCFJFO-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCCC1CCC1)[NH+]1CCCCC1 ZINC001176997516 1385768120 /nfs/dbraw/zinc/76/81/20/1385768120.db2.gz PIHXODOPYUEMQF-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)cc1C ZINC001177332316 1385917417 /nfs/dbraw/zinc/91/74/17/1385917417.db2.gz PJKPXAHWJWNOHQ-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]C[C@@H](F)CC)CC1CCCC1)[NH+](C)C ZINC001177348446 1385923708 /nfs/dbraw/zinc/92/37/08/1385923708.db2.gz HYIFBNOWSRDPDW-ZWKOTPCHSA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001319027047 1385932524 /nfs/dbraw/zinc/93/25/24/1385932524.db2.gz HJPVIQDETBECFU-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1CC[NH+](CC2CCCCC2)CC1 ZINC001319032099 1385937889 /nfs/dbraw/zinc/93/78/89/1385937889.db2.gz UVBBNIPFODUCIC-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001177397642 1385942767 /nfs/dbraw/zinc/94/27/67/1385942767.db2.gz CPSASIVGVQMXNK-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001177408609 1385945604 /nfs/dbraw/zinc/94/56/04/1385945604.db2.gz GCSVHCPPMFWHMU-LJQANCHMSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)c1c[nH+]ccc1N(C)C ZINC001177462990 1385965217 /nfs/dbraw/zinc/96/52/17/1385965217.db2.gz JJURAHNQXONMJW-UHFFFAOYSA-N 2 0 346.519 3.170 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177463074 1385965228 /nfs/dbraw/zinc/96/52/28/1385965228.db2.gz MRSYTFHGORAVMA-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001177484902 1385974514 /nfs/dbraw/zinc/97/45/14/1385974514.db2.gz MWVOIENTORMSRL-HDICACEKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](Cc1cccs1)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319291721 1386047369 /nfs/dbraw/zinc/04/73/69/1386047369.db2.gz VOUJTPXAJQNMNV-MRXNPFEDSA-N 2 0 329.513 3.221 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001178045342 1386114509 /nfs/dbraw/zinc/11/45/09/1386114509.db2.gz JBBQKUAHQLYFAL-APWZRJJASA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001178153038 1386144552 /nfs/dbraw/zinc/14/45/52/1386144552.db2.gz YMKGXNKXKZEDMZ-PKOBYXMFSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C1CC1)[NH+](C)C ZINC001319563785 1386182676 /nfs/dbraw/zinc/18/26/76/1386182676.db2.gz XBOPCYWTSBVNPZ-UZLBHIALSA-N 2 0 345.531 3.087 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483641 1386231320 /nfs/dbraw/zinc/23/13/20/1386231320.db2.gz HCXBKGAMQZNCBP-UXHICEINSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178484068 1386232151 /nfs/dbraw/zinc/23/21/51/1386232151.db2.gz NSKMCWVKHQOXER-JGAFRWBPSA-N 2 0 349.563 3.483 20 0 EGADRP O=C(NCCCCCC[NH2+]CCCC1CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502409 1386236939 /nfs/dbraw/zinc/23/69/39/1386236939.db2.gz PPZGSQNZHFOWOP-HXUWFJFHSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502117 1386237082 /nfs/dbraw/zinc/23/70/82/1386237082.db2.gz IRRNCAJCXUOZAK-GOSISDBHSA-N 2 0 337.552 3.031 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178523339 1386241238 /nfs/dbraw/zinc/24/12/38/1386241238.db2.gz VWQKRNJRMPWOCY-LXORQPIJSA-N 2 0 337.552 3.339 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178526807 1386241315 /nfs/dbraw/zinc/24/13/15/1386241315.db2.gz CVVYBZYPLZXCAG-OKZBNKHCSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688255 1386278105 /nfs/dbraw/zinc/27/81/05/1386278105.db2.gz JCBFESDAEHWIEW-IBGZPJMESA-N 2 0 337.552 3.197 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001178693626 1386280815 /nfs/dbraw/zinc/28/08/15/1386280815.db2.gz YCUVRFDADMKQIE-LJQANCHMSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698733 1386282252 /nfs/dbraw/zinc/28/22/52/1386282252.db2.gz SFVAOHJGZORHNI-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808837 1386313243 /nfs/dbraw/zinc/31/32/43/1386313243.db2.gz WMAODBYSDUZKEB-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21)[NH+](C)C ZINC001178815642 1386315353 /nfs/dbraw/zinc/31/53/53/1386315353.db2.gz IBTIGHIJPMANBU-VQTJNVASSA-N 2 0 345.531 3.280 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC001319904481 1386379318 /nfs/dbraw/zinc/37/93/18/1386379318.db2.gz GOFAUTAIZQBDIK-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)c1ocnc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001319939122 1386404358 /nfs/dbraw/zinc/40/43/58/1386404358.db2.gz QDFHNJKCGVYSAA-UHFFFAOYSA-N 2 0 335.492 3.122 20 0 EGADRP C[N@H+](CCC(=O)NCCCCCC[NH2+]CC1CC1)C1CCCCC1 ZINC001179134029 1386407226 /nfs/dbraw/zinc/40/72/26/1386407226.db2.gz FNSTXZFDLRBSNZ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179139843 1386408698 /nfs/dbraw/zinc/40/86/98/1386408698.db2.gz RPGIUBWLIZCCDH-KRWDZBQOSA-N 2 0 343.531 3.265 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179233784 1386427406 /nfs/dbraw/zinc/42/74/06/1386427406.db2.gz CFXKDKYWFQECKG-WDSOQIARSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001320009396 1386450342 /nfs/dbraw/zinc/45/03/42/1386450342.db2.gz IIXILCNCBYSCFK-FQEVSTJZSA-N 2 0 347.547 3.088 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C[C@H](F)CC)C1 ZINC001179357758 1386461802 /nfs/dbraw/zinc/46/18/02/1386461802.db2.gz KUYATKHGLTWLJI-ZWKOTPCHSA-N 2 0 343.531 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C1 ZINC001179357864 1386462762 /nfs/dbraw/zinc/46/27/62/1386462762.db2.gz NYUSVPQCZPQFKD-VMSUTVGLSA-N 2 0 343.943 3.127 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179361519 1386463401 /nfs/dbraw/zinc/46/34/01/1386463401.db2.gz ILBHTTYXGYHWNL-IBGZPJMESA-N 2 0 337.552 3.460 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)c1 ZINC001179399618 1386475105 /nfs/dbraw/zinc/47/51/05/1386475105.db2.gz CDCXDTCSIITAED-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001179403523 1386476397 /nfs/dbraw/zinc/47/63/97/1386476397.db2.gz QBIFYECPQDWVIP-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179403335 1386476510 /nfs/dbraw/zinc/47/65/10/1386476510.db2.gz NBHBRBIUSMKYFT-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC1CCCC1)[NH+](C)C ZINC001179499286 1386499125 /nfs/dbraw/zinc/49/91/25/1386499125.db2.gz SGLWNRBYNDEJKW-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580618 1386521429 /nfs/dbraw/zinc/52/14/29/1386521429.db2.gz KESPRBIFVUVZCW-VOFKWLDRSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001179580663 1386522187 /nfs/dbraw/zinc/52/21/87/1386522187.db2.gz LSMLIWMLRJGVNG-OALUTQOASA-N 2 0 345.531 3.498 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179580998 1386522231 /nfs/dbraw/zinc/52/22/31/1386522231.db2.gz ZDTNUMAUCFGETC-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179591647 1386526723 /nfs/dbraw/zinc/52/67/23/1386526723.db2.gz ZRBNNAKTDGTIAH-HKUYNNGSSA-N 2 0 337.552 3.031 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCCCCC[NH2+]CCCCCF)C1 ZINC001179592582 1386527003 /nfs/dbraw/zinc/52/70/03/1386527003.db2.gz IHTFPOBMLGUPAP-UHFFFAOYSA-N 2 0 343.531 3.124 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001320155518 1386539898 /nfs/dbraw/zinc/53/98/98/1386539898.db2.gz SYXDJOKJHFSNKQ-PMACEKPBSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C1(C)C ZINC001320258039 1386564201 /nfs/dbraw/zinc/56/42/01/1386564201.db2.gz FFFHOBOJYJLTNR-VQTJNVASSA-N 2 0 345.531 3.120 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001179719360 1386564461 /nfs/dbraw/zinc/56/44/61/1386564461.db2.gz CQGIQVJDWXLTLI-RJARYPFESA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001179746083 1386570443 /nfs/dbraw/zinc/57/04/43/1386570443.db2.gz NZFODLISTGPYHP-ZWKOTPCHSA-N 2 0 343.531 3.264 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001179846622 1386606111 /nfs/dbraw/zinc/60/61/11/1386606111.db2.gz PQONLLWCHDQNPT-NTCAYCPXSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001179967730 1386652250 /nfs/dbraw/zinc/65/22/50/1386652250.db2.gz IJXNHNMPZNXEMI-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001179978687 1386656873 /nfs/dbraw/zinc/65/68/73/1386656873.db2.gz IBJLHYOALXTXGY-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001180035883 1386676555 /nfs/dbraw/zinc/67/65/55/1386676555.db2.gz YCUSXECMBSRNIW-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065399 1386685498 /nfs/dbraw/zinc/68/54/98/1386685498.db2.gz QAMHHCPZJARZTH-OALUTQOASA-N 2 0 337.552 3.339 20 0 EGADRP O=C(NCCCCCC[NH2+]CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001180068122 1386685999 /nfs/dbraw/zinc/68/59/99/1386685999.db2.gz AKABQGDSQQFHIZ-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001698661179 1406312234 /nfs/dbraw/zinc/31/22/34/1406312234.db2.gz IHNSZUAKKZVLSB-UTKZUKDTSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001180142377 1386711502 /nfs/dbraw/zinc/71/15/02/1386711502.db2.gz NYWYBLIAAXNHMC-OALUTQOASA-N 2 0 329.532 3.313 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C)c1ccccc1 ZINC001180203982 1386731705 /nfs/dbraw/zinc/73/17/05/1386731705.db2.gz FOWOOCKQMXOUEY-HBFSDRIKSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1ccc(C[N@@H+]2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC001320834758 1386732536 /nfs/dbraw/zinc/73/25/36/1386732536.db2.gz QFTUTQHFNHEXKN-UHFFFAOYSA-N 2 0 329.532 3.379 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1F ZINC001180264993 1386750405 /nfs/dbraw/zinc/75/04/05/1386750405.db2.gz MDQYFLOCINFJEY-SJORKVTESA-N 2 0 349.494 3.105 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001180369650 1386777100 /nfs/dbraw/zinc/77/71/00/1386777100.db2.gz QJTHARFDKMTZGL-QRVBRYPASA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001322004152 1387029105 /nfs/dbraw/zinc/02/91/05/1387029105.db2.gz LUWLQNCAGXAEGX-KXBFYZLASA-N 2 0 349.494 3.103 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755233 1387050607 /nfs/dbraw/zinc/05/06/07/1387050607.db2.gz KRUXVFVKOSWFRS-ZPYHJIQJSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001182822579 1387230201 /nfs/dbraw/zinc/23/02/01/1387230201.db2.gz KTKARJJIBUSCGJ-BGNPZWQASA-N 2 0 349.563 3.149 20 0 EGADRP C[NH+](C)Cc1ccccc1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC001336704940 1389141513 /nfs/dbraw/zinc/14/15/13/1389141513.db2.gz YWAJFDNGNHFIIB-UHFFFAOYSA-N 2 0 347.409 3.145 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001336779184 1389167248 /nfs/dbraw/zinc/16/72/48/1389167248.db2.gz IGLUODSFMWTTHQ-LRDDRELGSA-N 2 0 328.859 3.223 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(CC(F)(F)F)s3)C[C@H]2C1 ZINC001336889351 1389197432 /nfs/dbraw/zinc/19/74/32/1389197432.db2.gz SLJNQCLXICCDJN-JHJVBQTASA-N 2 0 347.450 3.410 20 0 EGADRP CSc1ccccc1[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001329801859 1389227506 /nfs/dbraw/zinc/22/75/06/1389227506.db2.gz YMOULDJURPFAOF-AWEZNQCLSA-N 2 0 328.485 3.386 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001330202833 1389338710 /nfs/dbraw/zinc/33/87/10/1389338710.db2.gz NULMGWQBKIJITH-IBGZPJMESA-N 2 0 327.472 3.238 20 0 EGADRP Fc1ccc(CC[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC001330341199 1389392893 /nfs/dbraw/zinc/39/28/93/1389392893.db2.gz JLOJKGUMWSLDBA-UHFFFAOYSA-N 2 0 345.437 3.404 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC001330545462 1389450900 /nfs/dbraw/zinc/45/09/00/1389450900.db2.gz VXCXUQXLCZTMLZ-AXGBLAMUSA-N 2 0 349.563 3.170 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](CC)c2ccccc2)CC1 ZINC001331068811 1389618789 /nfs/dbraw/zinc/61/87/89/1389618789.db2.gz NCQGAHFCBDJZKB-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C[NH3+])C2CCCCCC2)CC1 ZINC001340185096 1390245131 /nfs/dbraw/zinc/24/51/31/1390245131.db2.gz QZBFSBUHRVHIKX-IBGZPJMESA-N 2 0 337.552 3.111 20 0 EGADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001340216522 1390251788 /nfs/dbraw/zinc/25/17/88/1390251788.db2.gz AAAMIWUQVQKTAU-UWJYYQICSA-N 2 0 345.531 3.339 20 0 EGADRP CC(C)C[C@](C)(C[NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001340216517 1390251995 /nfs/dbraw/zinc/25/19/95/1390251995.db2.gz AAAMIWUQVQKTAU-LAUBAEHRSA-N 2 0 345.531 3.339 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC001333749430 1390391711 /nfs/dbraw/zinc/39/17/11/1390391711.db2.gz HXDWJZQBJDJKKI-QUCCMNQESA-N 2 0 327.472 3.001 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH2+]CC1CCCCC1 ZINC001698775609 1406438729 /nfs/dbraw/zinc/43/87/29/1406438729.db2.gz QOOHIJWSANKYBZ-QGZVFWFLSA-N 2 0 345.531 3.284 20 0 EGADRP CC1([NH+]2CCC2)CCC(NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001341096871 1390440098 /nfs/dbraw/zinc/44/00/98/1390440098.db2.gz SJMHFBRWKISNEA-QPIRBTGLSA-N 2 0 347.547 3.070 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001334356277 1390524135 /nfs/dbraw/zinc/52/41/35/1390524135.db2.gz KTISPBVMORFCCA-SQWLQELKSA-N 2 0 336.451 3.005 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccco1 ZINC001342717392 1390644979 /nfs/dbraw/zinc/64/49/79/1390644979.db2.gz MREAGSLPHUEOKB-GUYCJALGSA-N 2 0 340.427 3.095 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC001345106363 1390837770 /nfs/dbraw/zinc/83/77/70/1390837770.db2.gz YETDSAWBJBCXPJ-MRXNPFEDSA-N 2 0 328.456 3.362 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@H]2C1 ZINC001345159524 1390842314 /nfs/dbraw/zinc/84/23/14/1390842314.db2.gz JTBIXXGENBUTJV-HDMKZQKVSA-N 2 0 344.503 3.074 20 0 EGADRP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[N@@H+]2C1 ZINC001347980330 1391153506 /nfs/dbraw/zinc/15/35/06/1391153506.db2.gz ISTFIJFYDQNMIW-MBOZVWFJSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC001348514748 1391231115 /nfs/dbraw/zinc/23/11/15/1391231115.db2.gz GQTNKKCYGAHSMY-CQSZACIVSA-N 2 0 334.485 3.423 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001698829318 1406522492 /nfs/dbraw/zinc/52/24/92/1406522492.db2.gz VWERTQXDFFVLAS-AEFFLSMTSA-N 2 0 331.504 3.059 20 0 EGADRP C[NH+](C)CCCC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC001353272392 1391980675 /nfs/dbraw/zinc/98/06/75/1391980675.db2.gz HDTLHOMZMODILK-KRWDZBQOSA-N 2 0 339.483 3.087 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001353338747 1391992197 /nfs/dbraw/zinc/99/21/97/1391992197.db2.gz IVKQBHQJYJAGLV-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC001353527622 1392031922 /nfs/dbraw/zinc/03/19/22/1392031922.db2.gz WHCCYBXPCLNMBZ-WMLDXEAASA-N 2 0 349.544 3.246 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001353899263 1392106466 /nfs/dbraw/zinc/10/64/66/1392106466.db2.gz JHEXSEACFSBESX-MNOVXSKESA-N 2 0 336.329 3.249 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001479982027 1392515093 /nfs/dbraw/zinc/51/50/93/1392515093.db2.gz DOVQHVUPAGMWTM-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1)c1cccc(F)c1 ZINC001698862252 1406573252 /nfs/dbraw/zinc/57/32/52/1406573252.db2.gz XHDVXBJOJDFIRH-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001480304276 1392668173 /nfs/dbraw/zinc/66/81/73/1392668173.db2.gz WVWHEBZXOAPVJW-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001480325670 1392685784 /nfs/dbraw/zinc/68/57/84/1392685784.db2.gz XYSXZSKVRXMLKL-WOJBJXKFSA-N 2 0 345.531 3.052 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC1CC1)CC(C)(C)C ZINC001480373852 1392716943 /nfs/dbraw/zinc/71/69/43/1392716943.db2.gz SXBMFZKYYNUVNK-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001480380748 1392724426 /nfs/dbraw/zinc/72/44/26/1392724426.db2.gz XKCISLABCDLYIF-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480614244 1392820652 /nfs/dbraw/zinc/82/06/52/1392820652.db2.gz WDSHELDHSSSBAD-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)C2)c1 ZINC001480710245 1392872659 /nfs/dbraw/zinc/87/26/59/1392872659.db2.gz PLBGAUYSQLFPCU-VRHLNINDSA-N 2 0 349.906 3.131 20 0 EGADRP Cc1c(C(=O)N[C@@H](C[NH2+]CC(C)C)CC(C)C)ccc2c[nH+]cn21 ZINC001698873975 1406596173 /nfs/dbraw/zinc/59/61/73/1406596173.db2.gz AAAFMDKJUKVQMM-MRXNPFEDSA-N 2 0 330.476 3.033 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001480737847 1392903685 /nfs/dbraw/zinc/90/36/85/1392903685.db2.gz AKCHNUORCJNJOW-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480765668 1392920884 /nfs/dbraw/zinc/92/08/84/1392920884.db2.gz QRGBWBVCPLSFAM-SQGPQFPESA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001480770553 1392923449 /nfs/dbraw/zinc/92/34/49/1392923449.db2.gz VZURGMRQRRDDFN-AEFFLSMTSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001480903959 1393010354 /nfs/dbraw/zinc/01/03/54/1393010354.db2.gz CCUAOAWDWCPZPV-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(F)c1)[NH+]1CCCCCC1 ZINC001480920783 1393021169 /nfs/dbraw/zinc/02/11/69/1393021169.db2.gz XIKWNSVYAOLQEY-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1cccc(F)c1 ZINC001481005009 1393082672 /nfs/dbraw/zinc/08/26/72/1393082672.db2.gz MUPKQNXULUUBME-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1cccc(F)c1 ZINC001481008212 1393084838 /nfs/dbraw/zinc/08/48/38/1393084838.db2.gz IRXXSOOIVMPLJX-KRWDZBQOSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC001481367380 1394207147 /nfs/dbraw/zinc/20/71/47/1394207147.db2.gz QYDCWKRMLXXVRA-QGZVFWFLSA-N 2 0 345.512 3.279 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001698948289 1406688188 /nfs/dbraw/zinc/68/81/88/1406688188.db2.gz VDNJNFSMQHZUGN-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481500217 1394346968 /nfs/dbraw/zinc/34/69/68/1394346968.db2.gz DXXKLUAMVBYELO-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1 ZINC001698951239 1406691693 /nfs/dbraw/zinc/69/16/93/1406691693.db2.gz DZKXYACSNJIXTP-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001491231038 1394485898 /nfs/dbraw/zinc/48/58/98/1394485898.db2.gz QSNQBGXDDJEZSJ-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001481849069 1394557360 /nfs/dbraw/zinc/55/73/60/1394557360.db2.gz VJSQQOMLEAZYCW-MOPGFXCFSA-N 2 0 349.494 3.103 20 0 EGADRP CCC[NH+]1CCC(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001482049351 1394712138 /nfs/dbraw/zinc/71/21/38/1394712138.db2.gz ADMNAIOCAOZYMI-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C1CCCCC1 ZINC001484017558 1395189402 /nfs/dbraw/zinc/18/94/02/1395189402.db2.gz JCMASPHXBRXGJY-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001484171827 1395313193 /nfs/dbraw/zinc/31/31/93/1395313193.db2.gz APFVOPOIGIENQB-NQIIRXRSSA-N 2 0 345.531 3.308 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CCCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001485254184 1395741271 /nfs/dbraw/zinc/74/12/71/1395741271.db2.gz NZQJWOYZBAHOPH-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001502999379 1396239173 /nfs/dbraw/zinc/23/91/73/1396239173.db2.gz APAYVNXGRWBBCJ-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156742 1396389025 /nfs/dbraw/zinc/38/90/25/1396389025.db2.gz IMIHKPJOCCMWKH-RBUKOAKNSA-N 2 0 345.531 3.178 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001494170128 1396394615 /nfs/dbraw/zinc/39/46/15/1396394615.db2.gz AFBCOBKMTBEUDP-SJORKVTESA-N 2 0 349.494 3.009 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001496713664 1396722680 /nfs/dbraw/zinc/72/26/80/1396722680.db2.gz DPDLDXFFKQZAKD-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001690049442 1404282007 /nfs/dbraw/zinc/28/20/07/1404282007.db2.gz SIQBXUKTCHLAFV-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001690255815 1404433031 /nfs/dbraw/zinc/43/30/31/1404433031.db2.gz YKEMRHGBDRVZDF-XLIONFOSSA-N 2 0 345.531 3.403 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001690392447 1404533569 /nfs/dbraw/zinc/53/35/69/1404533569.db2.gz XUCBSAPGCHVROO-HXUWFJFHSA-N 2 0 345.531 3.055 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001690650006 1404681534 /nfs/dbraw/zinc/68/15/34/1404681534.db2.gz CIYCRWDXKWACNU-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001725176228 1425692713 /nfs/dbraw/zinc/69/27/13/1425692713.db2.gz YDCCUSJRTURVDM-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690785578 1404732905 /nfs/dbraw/zinc/73/29/05/1404732905.db2.gz WAHKGGHYEHOBFL-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690785576 1404733252 /nfs/dbraw/zinc/73/32/52/1404733252.db2.gz WAHKGGHYEHOBFL-PMACEKPBSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001691000345 1404915986 /nfs/dbraw/zinc/91/59/86/1404915986.db2.gz CVQIBCNNNGYQAL-UHFFFAOYSA-N 2 0 345.531 3.234 20 0 EGADRP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001732004744 1428217059 /nfs/dbraw/zinc/21/70/59/1428217059.db2.gz WRCSGGMHAIVTIH-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001692079225 1405762922 /nfs/dbraw/zinc/76/29/22/1405762922.db2.gz GQQXXDFEDHSAAR-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001698562642 1406162857 /nfs/dbraw/zinc/16/28/57/1406162857.db2.gz KQWJHJVOPIJSBZ-PXNSSMCTSA-N 2 0 343.515 3.073 20 0 EGADRP CC1(C)CCC(C[NH+]2CC(CNC(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001732138891 1428384593 /nfs/dbraw/zinc/38/45/93/1428384593.db2.gz LCQHHWGDTLJOIS-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732152796 1428396181 /nfs/dbraw/zinc/39/61/81/1428396181.db2.gz NGVPYYDGMKVIQW-QWNKOJSDSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001732309488 1428523215 /nfs/dbraw/zinc/52/32/15/1428523215.db2.gz XSCWJLKWSOMHNL-MXVIHJGJSA-N 2 0 345.531 3.162 20 0 EGADRP CC1CC(C[NH+]2CCC(CCNC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001732325379 1428534188 /nfs/dbraw/zinc/53/41/88/1428534188.db2.gz QPHPETYGTFVNHB-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001732360016 1428547940 /nfs/dbraw/zinc/54/79/40/1428547940.db2.gz HKTDOEQEEQWHER-MRXNPFEDSA-N 2 0 347.547 3.123 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001732485283 1428608465 /nfs/dbraw/zinc/60/84/65/1428608465.db2.gz HWIZAOQNNUGTAT-SJLPKXTDSA-N 2 0 339.568 3.227 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001699694064 1413102054 /nfs/dbraw/zinc/10/20/54/1413102054.db2.gz AJEBQZUPBCOVCL-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001699758568 1413164633 /nfs/dbraw/zinc/16/46/33/1413164633.db2.gz LDZHNBMQOOAHOT-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001699825897 1413251079 /nfs/dbraw/zinc/25/10/79/1413251079.db2.gz JZYWEWNYNSQAOG-CTNGQTDRSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001700103649 1413521526 /nfs/dbraw/zinc/52/15/26/1413521526.db2.gz IIWKHBARSZAQBE-WGSAOQKQSA-N 2 0 337.552 3.173 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)C3(C[NH+](C)C)CCCCC3)CCC2)C1 ZINC001700137839 1413555971 /nfs/dbraw/zinc/55/59/71/1413555971.db2.gz WBLASWWOZQUKTO-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001700139668 1413559073 /nfs/dbraw/zinc/55/90/73/1413559073.db2.gz QGHGPLPZPHTXTM-GOSISDBHSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2C2CC2)CCC1)[NH+](C)C ZINC001700142249 1413564315 /nfs/dbraw/zinc/56/43/15/1413564315.db2.gz PUUSLTJSVIPCQD-LJQANCHMSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+](C)Cc2ccccc2)C1 ZINC001700189301 1413616058 /nfs/dbraw/zinc/61/60/58/1413616058.db2.gz IOTIHXCPMOSOPF-HXUWFJFHSA-N 2 0 345.531 3.089 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001700363393 1413881968 /nfs/dbraw/zinc/88/19/68/1413881968.db2.gz JOSBUCXAINUZJQ-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+](C)CCC1CCCC1 ZINC001700479707 1414112932 /nfs/dbraw/zinc/11/29/32/1414112932.db2.gz BCWNNBYZOWDMMJ-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1C ZINC001732582797 1428792031 /nfs/dbraw/zinc/79/20/31/1428792031.db2.gz ZXRYXWUHRWXGCF-ICSRJNTNSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001700780832 1414462932 /nfs/dbraw/zinc/46/29/32/1414462932.db2.gz PIDPKUPXGHVGMA-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2F)[C@@H]1C ZINC001700891005 1414550115 /nfs/dbraw/zinc/55/01/15/1414550115.db2.gz YGMQLOCFMTYSOZ-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc2c[nH]cn2)c1 ZINC001732593463 1428821783 /nfs/dbraw/zinc/82/17/83/1428821783.db2.gz ABLWJRUOOCYXFK-IAGOWNOFSA-N 2 0 342.487 3.048 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C ZINC001700998556 1414648955 /nfs/dbraw/zinc/64/89/55/1414648955.db2.gz QRDGUAMAEWCLIZ-MRXNPFEDSA-N 2 0 339.549 3.019 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001732740399 1428939502 /nfs/dbraw/zinc/93/95/02/1428939502.db2.gz HIHLJFKHQSOMLH-QZTJIDSGSA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001732740400 1428939575 /nfs/dbraw/zinc/93/95/75/1428939575.db2.gz HIHLJFKHQSOMLH-ROUUACIJSA-N 2 0 345.531 3.352 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732774510 1428961861 /nfs/dbraw/zinc/96/18/61/1428961861.db2.gz GAZJNRWIBALLLR-LPHOPBHVSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001713398924 1418018721 /nfs/dbraw/zinc/01/87/21/1418018721.db2.gz AUMIYOLFRJZBSO-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1ccccc1C ZINC001713494943 1418200136 /nfs/dbraw/zinc/20/01/36/1418200136.db2.gz OLUKUYBWWJRKFU-IBGZPJMESA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713536137 1418290314 /nfs/dbraw/zinc/29/03/14/1418290314.db2.gz RHQQVFFNJZNIDH-SFHVURJKSA-N 2 0 345.531 3.090 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001713566150 1418377764 /nfs/dbraw/zinc/37/77/64/1418377764.db2.gz OFWIHUIQOYXLIG-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001714014383 1418794360 /nfs/dbraw/zinc/79/43/60/1418794360.db2.gz VNHDQAQHOWZTAO-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001714021569 1418804645 /nfs/dbraw/zinc/80/46/45/1418804645.db2.gz OTHWZIVJHUCPTR-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCCCCC1 ZINC001714125413 1418930045 /nfs/dbraw/zinc/93/00/45/1418930045.db2.gz VOPLDNXNKXHYOY-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001714308157 1419088287 /nfs/dbraw/zinc/08/82/87/1419088287.db2.gz ALPCGQQFAQBUCT-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001714313756 1419094615 /nfs/dbraw/zinc/09/46/15/1419094615.db2.gz RCBAFXOCYKXKAV-WGSAOQKQSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cccc(C[N@H+](C)CCNC(=O)CC[NH+](C)C2CCCCC2)c1 ZINC001714550465 1419276824 /nfs/dbraw/zinc/27/68/24/1419276824.db2.gz HOKSPSZWFXDULM-UHFFFAOYSA-N 2 0 345.531 3.198 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccc(F)cc1 ZINC001714584913 1419326195 /nfs/dbraw/zinc/32/61/95/1419326195.db2.gz SAASWIBNQRCIIH-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001714754076 1419494954 /nfs/dbraw/zinc/49/49/54/1419494954.db2.gz XWPCJJSXAOLYHC-QGZVFWFLSA-N 2 0 347.547 3.163 20 0 EGADRP CCCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714865159 1419591205 /nfs/dbraw/zinc/59/12/05/1419591205.db2.gz YPHTZCYKRCMYCI-MHJFOBGBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](CNC(=O)CC[N@H+](C)CC)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001715079653 1419815781 /nfs/dbraw/zinc/81/57/81/1419815781.db2.gz AAWSIOVBPSQLEF-IEBWSBKVSA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCCCC1 ZINC001715081067 1419817026 /nfs/dbraw/zinc/81/70/26/1419817026.db2.gz DRUSYOMCDHCSEJ-FQEVSTJZSA-N 2 0 345.531 3.427 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001715241580 1419970778 /nfs/dbraw/zinc/97/07/78/1419970778.db2.gz VDZMJDUHCIRBAG-IEBWSBKVSA-N 2 0 343.515 3.108 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCC(C)(C)C)C2)CC1 ZINC001715542182 1420240060 /nfs/dbraw/zinc/24/00/60/1420240060.db2.gz DLCJVKDWXITNDB-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001716414631 1420644049 /nfs/dbraw/zinc/64/40/49/1420644049.db2.gz LUWLQNCAGXAEGX-DNVCBOLYSA-N 2 0 349.494 3.103 20 0 EGADRP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001716715664 1420872520 /nfs/dbraw/zinc/87/25/20/1420872520.db2.gz JMEBCAPHAHKDRF-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001716853618 1420985006 /nfs/dbraw/zinc/98/50/06/1420985006.db2.gz FHGGVEQICRLKMC-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)NCC1(C)CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001716889575 1421013659 /nfs/dbraw/zinc/01/36/59/1421013659.db2.gz OZCDQQZAWILVLI-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001716903091 1421036446 /nfs/dbraw/zinc/03/64/46/1421036446.db2.gz WXIWGWBEYZOVNX-NRFANRHFSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001717114523 1421118477 /nfs/dbraw/zinc/11/84/77/1421118477.db2.gz DNYDRAHDOLPQFU-MRXNPFEDSA-N 2 0 343.515 3.238 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1)c1ccc(CNC(=O)Cc2c[nH]cn2)cc1 ZINC001717115146 1421118966 /nfs/dbraw/zinc/11/89/66/1421118966.db2.gz JJIADHJFWRDUIR-MRXNPFEDSA-N 2 0 348.450 3.119 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001733286979 1429461300 /nfs/dbraw/zinc/46/13/00/1429461300.db2.gz VZNHPFKCHIDLCJ-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001717206082 1421176550 /nfs/dbraw/zinc/17/65/50/1421176550.db2.gz BHLTZKVEKFYJNA-FQEVSTJZSA-N 2 0 345.531 3.148 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCC1 ZINC001717206879 1421177753 /nfs/dbraw/zinc/17/77/53/1421177753.db2.gz SROSEGGHFMBGEX-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)CC2CCCCCC2)C1 ZINC001717212353 1421186910 /nfs/dbraw/zinc/18/69/10/1421186910.db2.gz VHUBAXRTAYCYME-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC1(C)C)[NH+](C)C ZINC001717310875 1421254772 /nfs/dbraw/zinc/25/47/72/1421254772.db2.gz PQHNUVDJWBNGNS-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001733289502 1429467063 /nfs/dbraw/zinc/46/70/63/1429467063.db2.gz RLFDRONJOYUSAO-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001717377363 1421319871 /nfs/dbraw/zinc/31/98/71/1421319871.db2.gz KDVPACYUWKQXPS-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717537180 1421475161 /nfs/dbraw/zinc/47/51/61/1421475161.db2.gz YYAHHTAUGZJCQE-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/c1ccccc1)C(C)(C)C)[NH+](C)C ZINC001717970905 1421742771 /nfs/dbraw/zinc/74/27/71/1421742771.db2.gz DMESPYLDIWLOQW-YYYKYCEESA-N 2 0 345.531 3.161 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C[C@@H]1C ZINC001733335397 1429520370 /nfs/dbraw/zinc/52/03/70/1429520370.db2.gz IWKGHLQXKWPFAR-HWJGFJICSA-N 2 0 343.515 3.011 20 0 EGADRP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001733469594 1429704073 /nfs/dbraw/zinc/70/40/73/1429704073.db2.gz XSYKICWLFCKZMG-HXUWFJFHSA-N 2 0 337.552 3.271 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001723625059 1424496899 /nfs/dbraw/zinc/49/68/99/1424496899.db2.gz NELAYVUXHADRGL-YQQQUEKLSA-N 2 0 335.536 3.163 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001724240650 1424751146 /nfs/dbraw/zinc/75/11/46/1424751146.db2.gz XIKLITOCUCHTCX-WIYYLYMNSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001724295289 1424781261 /nfs/dbraw/zinc/78/12/61/1424781261.db2.gz PNXNDCGYQLZVGJ-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724321902 1424805956 /nfs/dbraw/zinc/80/59/56/1424805956.db2.gz MUGFDCPSXNJBPV-HXUWFJFHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001724856432 1425228530 /nfs/dbraw/zinc/22/85/30/1425228530.db2.gz AYNLOQGIDCDBBM-IBGZPJMESA-N 2 0 345.531 3.231 20 0 EGADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)CC1CC(C)C1 ZINC001725170130 1425677416 /nfs/dbraw/zinc/67/74/16/1425677416.db2.gz LVWMVSGGOSOCMF-LXPRWKDFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001725196614 1425751452 /nfs/dbraw/zinc/75/14/52/1425751452.db2.gz RIYQAUQTUQTKTK-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[C@H](C[NH2+]Cc1cccc(C)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001725232402 1425808518 /nfs/dbraw/zinc/80/85/18/1425808518.db2.gz RTTZQTAHOFGTCR-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001725613091 1426273852 /nfs/dbraw/zinc/27/38/52/1426273852.db2.gz AYFXWRSDWKIFNC-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1C/C=C\c1ccccc1 ZINC001725630417 1426297664 /nfs/dbraw/zinc/29/76/64/1426297664.db2.gz QZGOLVLCVRTKGN-QJWLNXOLSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1C/C=C/c1ccccc1 ZINC001725630412 1426297720 /nfs/dbraw/zinc/29/77/20/1426297720.db2.gz QZGOLVLCVRTKGN-HSBQTJJHSA-N 2 0 343.515 3.011 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1CC ZINC001731542114 1427552848 /nfs/dbraw/zinc/55/28/48/1427552848.db2.gz LDHGLFKCOMWBOL-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1c(C)cccc1C ZINC001731542897 1427555160 /nfs/dbraw/zinc/55/51/60/1427555160.db2.gz PNGRSFPCZSGGPY-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001731639090 1427696135 /nfs/dbraw/zinc/69/61/35/1427696135.db2.gz GONMRTZFXNWLFZ-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP CCc1ccccc1C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731721201 1427790701 /nfs/dbraw/zinc/79/07/01/1427790701.db2.gz RHVDEZHRNHOCQN-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001731721595 1427791399 /nfs/dbraw/zinc/79/13/99/1427791399.db2.gz VIYCDFGXKAKTSA-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCCC2)CCC1 ZINC001731829309 1428037048 /nfs/dbraw/zinc/03/70/48/1428037048.db2.gz PEWUHLDJMVRMJT-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CCC1 ZINC001733725559 1429951678 /nfs/dbraw/zinc/95/16/78/1429951678.db2.gz LHAKTNUMSUISSU-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001733773503 1430011975 /nfs/dbraw/zinc/01/19/75/1430011975.db2.gz IXMHCDITCMDKBY-ICSRJNTNSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001734041389 1437829873 /nfs/dbraw/zinc/82/98/73/1437829873.db2.gz ACFIMEJLRMHXMV-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001734274804 1438009335 /nfs/dbraw/zinc/00/93/35/1438009335.db2.gz RUCJTGWFXODFKL-KRWDZBQOSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001734343985 1438063606 /nfs/dbraw/zinc/06/36/06/1438063606.db2.gz NNOMZBQNRNHUMD-QZTJIDSGSA-N 2 0 347.547 3.470 20 0 EGADRP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)CC1CC2(CCC2)C1 ZINC001752219193 1440156283 /nfs/dbraw/zinc/15/62/83/1440156283.db2.gz MSDGOWMKTQHPPD-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001752426239 1440177077 /nfs/dbraw/zinc/17/70/77/1440177077.db2.gz ICGMTJSHQBGGQN-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001752427278 1440177476 /nfs/dbraw/zinc/17/74/76/1440177476.db2.gz OHRMDJIUSHZKEF-SFHVURJKSA-N 2 0 349.563 3.410 20 0 EGADRP CCCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001752442417 1440181701 /nfs/dbraw/zinc/18/17/01/1440181701.db2.gz TUHQKDRARSSQSP-ROUUACIJSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001752520464 1440192469 /nfs/dbraw/zinc/19/24/69/1440192469.db2.gz YYKHXFHPPBVDFW-UXHICEINSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001752766064 1440205599 /nfs/dbraw/zinc/20/55/99/1440205599.db2.gz OXQUBAWYDDIWQI-JTDSTZFVSA-N 2 0 341.515 3.016 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001752785594 1440211245 /nfs/dbraw/zinc/21/12/45/1440211245.db2.gz CCWWRMRJMVXNCU-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001752787223 1440211974 /nfs/dbraw/zinc/21/19/74/1440211974.db2.gz IZSVWJHDPKMJNJ-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752802316 1440215249 /nfs/dbraw/zinc/21/52/49/1440215249.db2.gz ZRLIFWPGFXLDEH-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001752815795 1440218055 /nfs/dbraw/zinc/21/80/55/1440218055.db2.gz SQTVPNAJNAOLPU-IOJLRTSASA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752822921 1440221662 /nfs/dbraw/zinc/22/16/62/1440221662.db2.gz QPNLNUKRUFQVGZ-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752822919 1440221726 /nfs/dbraw/zinc/22/17/26/1440221726.db2.gz QPNLNUKRUFQVGZ-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001752836072 1440227656 /nfs/dbraw/zinc/22/76/56/1440227656.db2.gz KOFFSSXPALIUIP-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001752841711 1440230911 /nfs/dbraw/zinc/23/09/11/1440230911.db2.gz SINIVFQZJYMTQC-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001752848345 1440232953 /nfs/dbraw/zinc/23/29/53/1440232953.db2.gz NUQNSEGELYBNKN-MHJFOBGBSA-N 2 0 349.563 3.457 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001752873360 1440237554 /nfs/dbraw/zinc/23/75/54/1440237554.db2.gz RFIKAGRRFCMSPM-ZWKOTPCHSA-N 2 0 345.531 3.415 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001752973229 1440255495 /nfs/dbraw/zinc/25/54/95/1440255495.db2.gz GHKYTEZMQYNTFN-RBUKOAKNSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752980639 1440256987 /nfs/dbraw/zinc/25/69/87/1440256987.db2.gz POTDXBSCJHGVCH-RBUKOAKNSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001752983925 1440257768 /nfs/dbraw/zinc/25/77/68/1440257768.db2.gz RGKKTFZWQIPQKR-OALUTQOASA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2=CCCCC2)CC[N@@H+]1C ZINC001753028351 1440271963 /nfs/dbraw/zinc/27/19/63/1440271963.db2.gz ZUOWMOBKQPZUGL-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001753034406 1440274203 /nfs/dbraw/zinc/27/42/03/1440274203.db2.gz HJTDSULRCONXOP-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001753056089 1440281378 /nfs/dbraw/zinc/28/13/78/1440281378.db2.gz PGTMNMVBHZYHCS-YLJYHZDGSA-N 2 0 345.531 3.403 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001753135020 1440318572 /nfs/dbraw/zinc/31/85/72/1440318572.db2.gz HAWQRPWSKZAEDE-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001753146946 1440325041 /nfs/dbraw/zinc/32/50/41/1440325041.db2.gz NGKGEMFXVXWQPN-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC1=CCCCC1 ZINC001753295656 1440352194 /nfs/dbraw/zinc/35/21/94/1440352194.db2.gz ZWJPHXVINSNPSY-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753337338 1440373306 /nfs/dbraw/zinc/37/33/06/1440373306.db2.gz LYKACFAWMUMTLS-RBUKOAKNSA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001753359020 1440381479 /nfs/dbraw/zinc/38/14/79/1440381479.db2.gz DPFBFRRSSWWPSU-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753361038 1440382742 /nfs/dbraw/zinc/38/27/42/1440382742.db2.gz VIWDHTAQEZFTEO-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001753459486 1440410040 /nfs/dbraw/zinc/41/00/40/1440410040.db2.gz OFMMXTHVOWYULI-QUCCMNQESA-N 2 0 345.531 3.321 20 0 EGADRP CCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001753462277 1440411336 /nfs/dbraw/zinc/41/13/36/1440411336.db2.gz USGJDZVZHODTPB-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001753486464 1440417969 /nfs/dbraw/zinc/41/79/69/1440417969.db2.gz QVUDOCBDCQYMLC-XLIONFOSSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001753487280 1440418103 /nfs/dbraw/zinc/41/81/03/1440418103.db2.gz GNNKNBFUPUNSCW-VQTJNVASSA-N 2 0 345.531 3.354 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001753490782 1440419480 /nfs/dbraw/zinc/41/94/80/1440419480.db2.gz FDXRXLYQCHTXLS-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)CC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001753509346 1440425465 /nfs/dbraw/zinc/42/54/65/1440425465.db2.gz QOAWRANGLZSWSG-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001753523837 1440429046 /nfs/dbraw/zinc/42/90/46/1440429046.db2.gz RFQDFQABWHJHLR-MDKPJZGXSA-N 2 0 347.547 3.092 20 0 EGADRP Cc1c(C(=O)N[C@]2(C[NH2+]C(C)C)CCCC[C@H]2C)ccc2c[nH+]cn21 ZINC001753534024 1440431912 /nfs/dbraw/zinc/43/19/12/1440431912.db2.gz OYGKOROWYKUFIS-QRWLVFNGSA-N 2 0 342.487 3.319 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]1(C[NH2+]CC2CCCC2)CCCC[C@H]1C ZINC001753534909 1440432275 /nfs/dbraw/zinc/43/22/75/1440432275.db2.gz ABYARSJFYCWBJJ-YLJYHZDGSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001753584808 1440441051 /nfs/dbraw/zinc/44/10/51/1440441051.db2.gz JWNIYIJYXQQOIL-RDGPPVDQSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001753589542 1440442475 /nfs/dbraw/zinc/44/24/75/1440442475.db2.gz FFBIBHYMZXPYGD-INIZCTEOSA-N 2 0 349.494 3.015 20 0 EGADRP CCCC[NH+]1CCC(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001753598654 1440445740 /nfs/dbraw/zinc/44/57/40/1440445740.db2.gz MGFQWMASXULFQK-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001753632110 1440452354 /nfs/dbraw/zinc/45/23/54/1440452354.db2.gz HLUPBVGGNZTAII-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1 ZINC001753632401 1440452542 /nfs/dbraw/zinc/45/25/42/1440452542.db2.gz NIBOVWRQENCZPS-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753690123 1440466390 /nfs/dbraw/zinc/46/63/90/1440466390.db2.gz SVEVOKCKORMSSA-MJGOQNOKSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753695836 1440467532 /nfs/dbraw/zinc/46/75/32/1440467532.db2.gz ZBWHIHYUMIQXKP-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001753726077 1440474497 /nfs/dbraw/zinc/47/44/97/1440474497.db2.gz MAHIJFDRVJSDQE-PKOBYXMFSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001753786106 1440488121 /nfs/dbraw/zinc/48/81/21/1440488121.db2.gz NHEFVQRWGHDVRB-FQEVSTJZSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1F ZINC001753797946 1440490210 /nfs/dbraw/zinc/49/02/10/1440490210.db2.gz OVUQVTJLWBWEQI-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1)CC1CCC1 ZINC001753819854 1440495394 /nfs/dbraw/zinc/49/53/94/1440495394.db2.gz GFLAETRTNDXQTG-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001753839660 1440502320 /nfs/dbraw/zinc/50/23/20/1440502320.db2.gz YYRMBZBAXKCJOH-YTQUADARSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001753862699 1440512497 /nfs/dbraw/zinc/51/24/97/1440512497.db2.gz QSNKZONHQIOTKB-SFHVURJKSA-N 2 0 345.531 3.096 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753899815 1440523388 /nfs/dbraw/zinc/52/33/88/1440523388.db2.gz OZQNMIYJHFSMTJ-VQTJNVASSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001754119916 1440542701 /nfs/dbraw/zinc/54/27/01/1440542701.db2.gz OMWOXARCSXZWTE-GHOSXJJBSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001754273655 1440561992 /nfs/dbraw/zinc/56/19/92/1440561992.db2.gz AUNYFBKXSZFTAU-AZUAARDMSA-N 2 0 345.531 3.018 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001754336892 1440586925 /nfs/dbraw/zinc/58/69/25/1440586925.db2.gz PHTOUWYRIFGDAZ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C)c1 ZINC001754337687 1440587376 /nfs/dbraw/zinc/58/73/76/1440587376.db2.gz YKCFPDJIVVJMBP-ROUUACIJSA-N 2 0 333.520 3.141 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1Cl ZINC001754416027 1440596760 /nfs/dbraw/zinc/59/67/60/1440596760.db2.gz IIODSORCPLYHHB-OAHLLOKOSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCC1=CCCCC1 ZINC001754416940 1440596888 /nfs/dbraw/zinc/59/68/88/1440596888.db2.gz WKVRLDCUTOHPHN-QZTJIDSGSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001754469950 1440605145 /nfs/dbraw/zinc/60/51/45/1440605145.db2.gz GKMPINRKUQIIRD-YZPMEYCISA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754500676 1440614148 /nfs/dbraw/zinc/61/41/48/1440614148.db2.gz QLFRXGPNSLKBQA-YLJYHZDGSA-N 2 0 345.531 3.403 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001754502529 1440614839 /nfs/dbraw/zinc/61/48/39/1440614839.db2.gz KPAOSKYPQPEMIZ-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1)c1ccccc1F ZINC001754525240 1440620742 /nfs/dbraw/zinc/62/07/42/1440620742.db2.gz IHFJYXZUEBGMLQ-OAHLLOKOSA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001754531675 1440622804 /nfs/dbraw/zinc/62/28/04/1440622804.db2.gz KCOCIZDFMDFQLR-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754566156 1440635685 /nfs/dbraw/zinc/63/56/85/1440635685.db2.gz WUPLVRORUCUYDL-ICSRJNTNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C[C@H]1C ZINC001754605016 1440643118 /nfs/dbraw/zinc/64/31/18/1440643118.db2.gz VEECKOYJBSEPKI-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001754613572 1440644179 /nfs/dbraw/zinc/64/41/79/1440644179.db2.gz PASRJPDNODAMCG-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001754629174 1440647204 /nfs/dbraw/zinc/64/72/04/1440647204.db2.gz SROVMDZQKXEOGH-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001754654582 1440653042 /nfs/dbraw/zinc/65/30/42/1440653042.db2.gz IEBMNRFONCXIQM-LJQANCHMSA-N 2 0 331.504 3.035 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754681463 1440662713 /nfs/dbraw/zinc/66/27/13/1440662713.db2.gz BHMPOXLLWXQIOJ-FQEVSTJZSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CC2CCCCC2)C1 ZINC001754682444 1440663228 /nfs/dbraw/zinc/66/32/28/1440663228.db2.gz LUBPWUAGYWMIJQ-HXUWFJFHSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001754685244 1440664542 /nfs/dbraw/zinc/66/45/42/1440664542.db2.gz HJEJYZOAYAROOK-HXUWFJFHSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001754696741 1440667124 /nfs/dbraw/zinc/66/71/24/1440667124.db2.gz CKNXYJCASOLWIB-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC1CCC(C[NH2+]C[C@]2(C)CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001754697515 1440667299 /nfs/dbraw/zinc/66/72/99/1440667299.db2.gz QVZUGFHMQXIAKS-NGICGMGXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001754733554 1440681028 /nfs/dbraw/zinc/68/10/28/1440681028.db2.gz MZQBFLRNHMDPMW-TZIWHRDSSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001754733918 1440681418 /nfs/dbraw/zinc/68/14/18/1440681418.db2.gz QNZVQPRRCQMITB-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734263 1440681451 /nfs/dbraw/zinc/68/14/51/1440681451.db2.gz ULORVTXOHWRYTJ-KKHYBRAUSA-N 2 0 335.536 3.047 20 0 EGADRP CC(C)(C)CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001754843531 1440698208 /nfs/dbraw/zinc/69/82/08/1440698208.db2.gz HFFUJJSKCAZGRJ-HDICACEKSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC001754865495 1440702761 /nfs/dbraw/zinc/70/27/61/1440702761.db2.gz MTKHGPOCEHKVIP-IPMKNSEASA-N 2 0 349.563 3.362 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001754873463 1440705936 /nfs/dbraw/zinc/70/59/36/1440705936.db2.gz KGWYMBYKTIGELK-YZPMEYCISA-N 2 0 349.563 3.243 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001754948830 1440714293 /nfs/dbraw/zinc/71/42/93/1440714293.db2.gz QCWMCBLAMIXQPS-DLBZAZTESA-N 2 0 343.515 3.095 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)C1 ZINC001754956617 1440716595 /nfs/dbraw/zinc/71/65/95/1440716595.db2.gz WWRULWUUMJIJPF-MISYRCLQSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001754961025 1440717591 /nfs/dbraw/zinc/71/75/91/1440717591.db2.gz FRYSEPAAMXNICY-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755043624 1440739108 /nfs/dbraw/zinc/73/91/08/1440739108.db2.gz AKNOZBOHBUCCBZ-SJORKVTESA-N 2 0 349.494 3.009 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH+](C)CCCC(C)(C)C ZINC001755047067 1440741797 /nfs/dbraw/zinc/74/17/97/1440741797.db2.gz DFNMLFTYBPRFGX-HDICACEKSA-N 2 0 339.568 3.466 20 0 EGADRP CCCCCC[NH2+]C1(CC)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001755069262 1440746055 /nfs/dbraw/zinc/74/60/55/1440746055.db2.gz QINVTSJGGHPDBG-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)NCc1ccc2c(c1)C[NH+](CCC(C)(C)C)C2 ZINC001755101452 1440752497 /nfs/dbraw/zinc/75/24/97/1440752497.db2.gz HGGYQZZMLGKKSR-UHFFFAOYSA-N 2 0 345.531 3.396 20 0 EGADRP CC(C)CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755128293 1440756624 /nfs/dbraw/zinc/75/66/24/1440756624.db2.gz ZWLPACCYFZMNKD-GOSISDBHSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001755134000 1440757728 /nfs/dbraw/zinc/75/77/28/1440757728.db2.gz KMVBTKIEFQPJOO-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001755133653 1440757743 /nfs/dbraw/zinc/75/77/43/1440757743.db2.gz YDUQLAANYBDQRF-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001755212214 1440783474 /nfs/dbraw/zinc/78/34/74/1440783474.db2.gz JUGLJTIKLLQZDU-MHJFOBGBSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001755262048 1440794824 /nfs/dbraw/zinc/79/48/24/1440794824.db2.gz IRSUGRHTHMJIHW-MSOLQXFVSA-N 2 0 345.531 3.098 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001755313217 1440814310 /nfs/dbraw/zinc/81/43/10/1440814310.db2.gz KNIJQJJEYZLLSI-IRXDYDNUSA-N 2 0 347.547 3.433 20 0 EGADRP CCCC[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001755359550 1440831157 /nfs/dbraw/zinc/83/11/57/1440831157.db2.gz FIPRLZUNHRPFLQ-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001755382426 1440839810 /nfs/dbraw/zinc/83/98/10/1440839810.db2.gz NUBBVXIZIGXVMU-KRWDZBQOSA-N 2 0 335.536 3.044 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001755480516 1440859991 /nfs/dbraw/zinc/85/99/91/1440859991.db2.gz ZMNUUEMRXBHBDD-MXVIHJGJSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755498342 1440862363 /nfs/dbraw/zinc/86/23/63/1440862363.db2.gz IPMOFLBGJZMASS-ZHALLVOQSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001755520722 1440864996 /nfs/dbraw/zinc/86/49/96/1440864996.db2.gz UWSUVPRTOZDUFA-LJQANCHMSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001755534313 1440868526 /nfs/dbraw/zinc/86/85/26/1440868526.db2.gz JGDNGLABQBDYSM-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001755546638 1440870801 /nfs/dbraw/zinc/87/08/01/1440870801.db2.gz DZEIPRMTFKIPHD-WOJBJXKFSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCCC1 ZINC001755552688 1440872564 /nfs/dbraw/zinc/87/25/64/1440872564.db2.gz WQPQNDJHJYEJOK-LJQANCHMSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CCCCCC1 ZINC001755590695 1440881490 /nfs/dbraw/zinc/88/14/90/1440881490.db2.gz QAOHPWVOIPAUTK-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001755591251 1440881603 /nfs/dbraw/zinc/88/16/03/1440881603.db2.gz WMKAIQKLQPKDIJ-QAPCUYQASA-N 2 0 349.544 3.092 20 0 EGADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001755591252 1440881651 /nfs/dbraw/zinc/88/16/51/1440881651.db2.gz WMKAIQKLQPKDIJ-YJBOKZPZSA-N 2 0 349.544 3.092 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC001755611737 1440887276 /nfs/dbraw/zinc/88/72/76/1440887276.db2.gz SRFXACCZTPRJDO-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001755617134 1440889363 /nfs/dbraw/zinc/88/93/63/1440889363.db2.gz FRMRQNWZMODFEP-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001755658703 1440892448 /nfs/dbraw/zinc/89/24/48/1440892448.db2.gz OUKNAAKTSXRGLH-ZWKOTPCHSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@H]1C ZINC001755662456 1440892866 /nfs/dbraw/zinc/89/28/66/1440892866.db2.gz DQHLPVLBEZSCPE-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CCC[N@@H+]1CC1CC1 ZINC001755716907 1440905275 /nfs/dbraw/zinc/90/52/75/1440905275.db2.gz POKYVJNMSGYKOE-CRAIPNDOSA-N 2 0 335.536 3.019 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001755837102 1440930575 /nfs/dbraw/zinc/93/05/75/1440930575.db2.gz IXFNMCDYTLVFFV-PKOBYXMFSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C ZINC001755840341 1440931353 /nfs/dbraw/zinc/93/13/53/1440931353.db2.gz XFTFEEOPGFDGAD-MRXNPFEDSA-N 2 0 327.557 3.273 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001755840128 1440931383 /nfs/dbraw/zinc/93/13/83/1440931383.db2.gz RVSQFJWEBGKJGL-IBGZPJMESA-N 2 0 349.563 3.483 20 0 EGADRP CCCCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755843311 1440932377 /nfs/dbraw/zinc/93/23/77/1440932377.db2.gz CGVMURGZVAPZIX-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1[nH+]c(N2CC[NH+](CCOc3ccccc3)CC2)cc2[nH]ccc21 ZINC001165044693 721959005 /nfs/dbraw/zinc/95/90/05/721959005.db2.gz MNTKVIDBXQGWOK-UHFFFAOYSA-N 2 0 336.439 3.072 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCc1ccccc1Cl ZINC000368182004 168321656 /nfs/dbraw/zinc/32/16/56/168321656.db2.gz SUOLTVJTXTXRBA-QRQLOZEOSA-N 2 0 336.907 3.456 20 0 EGADRP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000368294724 168339109 /nfs/dbraw/zinc/33/91/09/168339109.db2.gz VHIRHAFIMCNRCE-IEBWSBKVSA-N 2 0 345.531 3.253 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@]4(CC[N@H+](C)C4)C3)co2)cc1 ZINC000368351239 168344879 /nfs/dbraw/zinc/34/48/79/168344879.db2.gz CNDVOZAFITUCLW-FQEVSTJZSA-N 2 0 341.455 3.268 20 0 EGADRP Cc1ccc(-c2nnc([C@@H](C)N3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1C ZINC000368354237 168346068 /nfs/dbraw/zinc/34/60/68/168346068.db2.gz HKRYEHQLIUCPAR-UZLBHIALSA-N 2 0 340.471 3.442 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000174350311 231185375 /nfs/dbraw/zinc/18/53/75/231185375.db2.gz BERBASCDWGTUKK-KRWDZBQOSA-N 3 0 326.488 3.082 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000158505173 529778503 /nfs/dbraw/zinc/77/85/03/529778503.db2.gz WSEGSBUDCJMNDJ-QGZVFWFLSA-N 2 0 342.512 3.062 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178424864 232162972 /nfs/dbraw/zinc/16/29/72/232162972.db2.gz PXNMDYSBGQCMFU-IOASZLSFSA-N 2 0 325.294 3.310 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCS2 ZINC000187159247 236133495 /nfs/dbraw/zinc/13/34/95/236133495.db2.gz HVRWLROCAAVWNP-DNVCBOLYSA-N 2 0 347.572 3.313 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1C ZINC000130457812 223153946 /nfs/dbraw/zinc/15/39/46/223153946.db2.gz CILVYBLQYMCTDG-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072859338 216319529 /nfs/dbraw/zinc/31/95/29/216319529.db2.gz UFZFBXWFMWAMDI-LJQANCHMSA-N 2 0 326.488 3.263 20 0 EGADRP C[C@]1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CCC[NH2+]C1 ZINC000353510271 291371929 /nfs/dbraw/zinc/37/19/29/291371929.db2.gz RRCYCOFXARHUDN-FQEVSTJZSA-N 2 0 329.488 3.391 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000230048906 242224956 /nfs/dbraw/zinc/22/49/56/242224956.db2.gz GZOWVNBQQJGZDD-VZJVUDMVSA-N 2 0 327.241 3.147 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(F)cc3Br)C[C@@H]21 ZINC000230047682 242225046 /nfs/dbraw/zinc/22/50/46/242225046.db2.gz BGMJKPVFTDEEDV-VZJVUDMVSA-N 2 0 327.241 3.147 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262711589 245137367 /nfs/dbraw/zinc/13/73/67/245137367.db2.gz QPJIMTIQYFMMMT-JXFKEZNVSA-N 2 0 331.504 3.052 20 0 EGADRP COc1ccc(Br)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111237143 220120276 /nfs/dbraw/zinc/12/02/76/220120276.db2.gz QOANUQKKKBPEDD-NSHDSACASA-N 2 0 327.266 3.017 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000090775232 284493504 /nfs/dbraw/zinc/49/35/04/284493504.db2.gz KMAOKUJGQUSQOJ-VIQWUECVSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCC[NH+](C)C2)cc1 ZINC000266201674 248168699 /nfs/dbraw/zinc/16/86/99/248168699.db2.gz WPPUIEKZUDETON-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP C[C@@H]1[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@@H]1c1ccccc1 ZINC000377560524 169042066 /nfs/dbraw/zinc/04/20/66/169042066.db2.gz GKTJGARGMQEDBT-FFZOFVMBSA-N 2 0 339.483 3.304 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000092381320 218138586 /nfs/dbraw/zinc/13/85/86/218138586.db2.gz WPJKYSBTARXZCM-UHFFFAOYSA-N 2 0 340.471 3.433 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1N(C)C ZINC000093943570 218258331 /nfs/dbraw/zinc/25/83/31/218258331.db2.gz VRXZQMCTKGWGSE-BZSNNMDCSA-N 2 0 333.520 3.293 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)s1 ZINC000095976746 218481095 /nfs/dbraw/zinc/48/10/95/218481095.db2.gz FXJFZUOZTKAPHQ-CQSZACIVSA-N 2 0 330.501 3.054 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000268794517 252246240 /nfs/dbraw/zinc/24/62/40/252246240.db2.gz FLFCDGRDASKEGC-FXAWDEMLSA-N 2 0 334.504 3.060 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000268862027 252310566 /nfs/dbraw/zinc/31/05/66/252310566.db2.gz DWZRIZIWDGUKAY-IEBWSBKVSA-N 2 0 334.504 3.363 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000132138540 533109239 /nfs/dbraw/zinc/10/92/39/533109239.db2.gz XBOOWKUMXLWUAY-NEPJUHHUSA-N 2 0 327.266 3.108 20 0 EGADRP [NH3+][C@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000119642984 221366310 /nfs/dbraw/zinc/36/63/10/221366310.db2.gz VKFQQXZZCPRGDJ-UYAOXDASSA-N 2 0 343.515 3.191 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cncs1 ZINC000268830992 141059743 /nfs/dbraw/zinc/05/97/43/141059743.db2.gz QUJFGHYSHAKQRG-WMZOPIPTSA-N 2 0 344.528 3.173 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccccc2)[C@H](C)C1 ZINC000268861352 141059772 /nfs/dbraw/zinc/05/97/72/141059772.db2.gz SCSKJTSWNSCFIY-YZGWKJHDSA-N 2 0 334.504 3.101 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000338055620 141083148 /nfs/dbraw/zinc/08/31/48/141083148.db2.gz UPVDUBWNHKTKMM-GOSISDBHSA-N 2 0 345.531 3.380 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000346248543 141185785 /nfs/dbraw/zinc/18/57/85/141185785.db2.gz FMSMKBIGHWKZSI-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP CCOC(=O)c1coc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000354636336 141317913 /nfs/dbraw/zinc/31/79/13/141317913.db2.gz SGNYHBLJXSGWSD-GJZGRUSLSA-N 2 0 334.460 3.199 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000354678663 141320110 /nfs/dbraw/zinc/32/01/10/141320110.db2.gz UUYYXAXKVKSTJC-OTWHNJEPSA-N 2 0 337.552 3.268 20 0 EGADRP FC(F)(F)C1CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000183714056 144078078 /nfs/dbraw/zinc/07/80/78/144078078.db2.gz NFMZFLWIPKYQOD-PCKAHOCUSA-N 2 0 348.453 3.446 20 0 EGADRP CN(C)c1cc[nH+]cc1CNC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185222573 144107104 /nfs/dbraw/zinc/10/71/04/144107104.db2.gz LOAIZXWUMOFFEW-NRFANRHFSA-N 2 0 338.499 3.148 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]12 ZINC000351478913 144267186 /nfs/dbraw/zinc/26/71/86/144267186.db2.gz PWAPMIBTAAJSAE-YSIASYRMSA-N 2 0 335.451 3.108 20 0 EGADRP Cn1cncc1CNc1[nH+]ccn1Cc1ccc(Br)cc1 ZINC000351565139 144280440 /nfs/dbraw/zinc/28/04/40/144280440.db2.gz BOIAVSYYKSSMMH-UHFFFAOYSA-N 2 0 346.232 3.040 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847529 144316020 /nfs/dbraw/zinc/31/60/20/144316020.db2.gz AEMZAPSCIWNONL-JKSUJKDBSA-N 2 0 339.439 3.087 20 0 EGADRP [NH3+]CCCCCCC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000375508976 144602249 /nfs/dbraw/zinc/60/22/49/144602249.db2.gz AYIXAEHKGBQPJG-WOJBJXKFSA-N 2 0 345.531 3.094 20 0 EGADRP C[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806391 549335316 /nfs/dbraw/zinc/33/53/16/549335316.db2.gz ZBGVMYZFMGSLFM-UYAOXDASSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000119861274 152233769 /nfs/dbraw/zinc/23/37/69/152233769.db2.gz QRMJVIVPLJKPLN-FLXSYLCISA-N 2 0 335.536 3.017 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119935569 152238775 /nfs/dbraw/zinc/23/87/75/152238775.db2.gz IEPAARMBQWLQRR-UWJYYQICSA-N 2 0 338.499 3.148 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(Cc2cccnc2)CC1)C1CCCCC1 ZINC000120788413 152300527 /nfs/dbraw/zinc/30/05/27/152300527.db2.gz YZRAZVZCRGFZST-UHFFFAOYSA-N 2 0 344.547 3.290 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000155709935 152639026 /nfs/dbraw/zinc/63/90/26/152639026.db2.gz CUDTXTHXPPVMTB-ICSRJNTNSA-N 2 0 345.531 3.133 20 0 EGADRP O[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000341585037 155368120 /nfs/dbraw/zinc/36/81/20/155368120.db2.gz KQJPOPQXDWRAQZ-VXKWHMMOSA-N 2 0 338.495 3.407 20 0 EGADRP CCS[C@H]1CC[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191518505 153203594 /nfs/dbraw/zinc/20/35/94/153203594.db2.gz GHFFHFIPLASAME-MSOLQXFVSA-N 2 0 327.582 3.009 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1OC ZINC000194262086 153328041 /nfs/dbraw/zinc/32/80/41/153328041.db2.gz QNHUPUVRLQHGCA-RTBURBONSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135827 153382464 /nfs/dbraw/zinc/38/24/64/153382464.db2.gz KQAPCBTWXPHOKB-SJLPKXTDSA-N 2 0 332.488 3.218 20 0 EGADRP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000337347063 154297716 /nfs/dbraw/zinc/29/77/16/154297716.db2.gz XDWYFGPERWRORJ-JKSUJKDBSA-N 2 0 332.492 3.133 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000339885265 155018182 /nfs/dbraw/zinc/01/81/82/155018182.db2.gz QVFBYRHADSJZPM-IBGZPJMESA-N 2 0 336.439 3.147 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@@H]21 ZINC000346821619 156152442 /nfs/dbraw/zinc/15/24/42/156152442.db2.gz IZLYCRMUTKPLFS-XKGZKEIXSA-N 2 0 325.431 3.447 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000346871278 156172714 /nfs/dbraw/zinc/17/27/14/156172714.db2.gz FWSLQIYZKCKELC-QZTJIDSGSA-N 2 0 345.531 3.280 20 0 EGADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000346994033 156234556 /nfs/dbraw/zinc/23/45/56/156234556.db2.gz BCRAAIIIMUCGNO-NHCUHLMSSA-N 2 0 344.499 3.208 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347003935 156241437 /nfs/dbraw/zinc/24/14/37/156241437.db2.gz ADNOFTRYDIUPCV-IRXDYDNUSA-N 2 0 325.456 3.220 20 0 EGADRP CCOc1c(Cl)cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000347013309 156247353 /nfs/dbraw/zinc/24/73/53/156247353.db2.gz HUQDMWMIJSTVBY-GFCCVEGCSA-N 2 0 326.868 3.307 20 0 EGADRP Cc1nc2ccccn2c1CN(CC[NH+](C)C)Cc1ccccc1F ZINC000348896839 156278884 /nfs/dbraw/zinc/27/88/84/156278884.db2.gz UJRZAYAJLLWMMV-UHFFFAOYSA-N 2 0 340.446 3.346 20 0 EGADRP CC[N@H+](Cc1ccncc1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000348932725 156292006 /nfs/dbraw/zinc/29/20/06/156292006.db2.gz GOIMOCYJVOFXDI-UHFFFAOYSA-N 2 0 338.499 3.246 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000349001791 156313204 /nfs/dbraw/zinc/31/32/04/156313204.db2.gz PEEJSIRWHGZGDX-XLAORIBOSA-N 2 0 337.552 3.265 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H](NCc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000362130665 157034287 /nfs/dbraw/zinc/03/42/87/157034287.db2.gz SDRWZEVDHJXJGQ-JKSUJKDBSA-N 2 0 339.549 3.493 20 0 EGADRP Cc1ccc2c(C)cc(NCc3ccc(-n4ccnc4)nc3)nc2c1 ZINC000368659518 157255171 /nfs/dbraw/zinc/25/51/71/157255171.db2.gz QSRPGNNLQUEQRN-UHFFFAOYSA-N 2 0 329.407 3.466 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000056522129 161522657 /nfs/dbraw/zinc/52/26/57/161522657.db2.gz OWMOJJLMCAVSAX-UHFFFAOYSA-N 2 0 337.895 3.332 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000105480401 162056104 /nfs/dbraw/zinc/05/61/04/162056104.db2.gz HTKZLCKPJOBFLY-OCCSQVGLSA-N 2 0 346.393 3.066 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1)C(C)C ZINC000110171200 162120507 /nfs/dbraw/zinc/12/05/07/162120507.db2.gz CERNVSVLEFRUPT-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@H](C)O1 ZINC000112686464 162185667 /nfs/dbraw/zinc/18/56/67/162185667.db2.gz YMFYDXQWABVHKO-HDICACEKSA-N 2 0 345.531 3.074 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000126739786 162312306 /nfs/dbraw/zinc/31/23/06/162312306.db2.gz PCLKHDHZUKLRKN-FRQCXROJSA-N 2 0 349.494 3.043 20 0 EGADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151794562 162602434 /nfs/dbraw/zinc/60/24/34/162602434.db2.gz MWZZPLWVZCKACI-OAQYLSRUSA-N 2 0 348.531 3.466 20 0 EGADRP CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248397621 163000437 /nfs/dbraw/zinc/00/04/37/163000437.db2.gz IFAXQHDGVUWBHR-AYWYSENESA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000248434017 163005467 /nfs/dbraw/zinc/00/54/67/163005467.db2.gz DQDLRPHKEMAFQD-VBKZILBWSA-N 2 0 346.421 3.382 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000248442086 163005733 /nfs/dbraw/zinc/00/57/33/163005733.db2.gz KNTYBRSABASAHA-WOJBJXKFSA-N 2 0 339.483 3.279 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248445492 163005766 /nfs/dbraw/zinc/00/57/66/163005766.db2.gz MNRYUNJLXBFQHX-RDTXWAMCSA-N 2 0 346.421 3.382 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)[C@]2(C)CCCO2)cc1 ZINC000340472168 163586643 /nfs/dbraw/zinc/58/66/43/163586643.db2.gz COUWWGNOTYKXEF-XLIONFOSSA-N 2 0 334.504 3.454 20 0 EGADRP COCc1cccc(OCC2(C[N@H+](C)[C@H]3CCN(C)[C@H](C)C3)CC2)c1 ZINC000354795516 166034030 /nfs/dbraw/zinc/03/40/30/166034030.db2.gz WXCGHUKMCVZPOX-MJGOQNOKSA-N 2 0 346.515 3.407 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000343940466 164070405 /nfs/dbraw/zinc/07/04/05/164070405.db2.gz SMBQDGUFNLSWBO-LJQANCHMSA-N 2 0 343.446 3.328 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H](C)C2 ZINC000343985919 164077666 /nfs/dbraw/zinc/07/76/66/164077666.db2.gz MVWDMPOCUWMSOB-KKSFZXQISA-N 2 0 339.483 3.354 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000343991285 164078287 /nfs/dbraw/zinc/07/82/87/164078287.db2.gz PXWWOYSFAVOWEN-MJGOQNOKSA-N 2 0 331.504 3.471 20 0 EGADRP CCCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000343999183 164079359 /nfs/dbraw/zinc/07/93/59/164079359.db2.gz FJYPQLJYXYHEDC-RBUKOAKNSA-N 2 0 331.504 3.095 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000344093304 164101588 /nfs/dbraw/zinc/10/15/88/164101588.db2.gz FHBFFZYBLMEIDQ-UXHICEINSA-N 2 0 333.495 3.065 20 0 EGADRP COCc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000344308488 164151807 /nfs/dbraw/zinc/15/18/07/164151807.db2.gz KHZKZGYJUNCONM-UHFFFAOYSA-N 2 0 344.455 3.190 20 0 EGADRP CC(C)N1CCc2nc(C[NH2+][C@H]3CCOC4(CCC4)C3)sc2C1 ZINC000344331788 164158345 /nfs/dbraw/zinc/15/83/45/164158345.db2.gz BEYMFWAXQAGRMP-AWEZNQCLSA-N 2 0 335.517 3.101 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157043918 287048834 /nfs/dbraw/zinc/04/88/34/287048834.db2.gz LTTIVWBAKJBFRC-DLBZAZTESA-N 2 0 333.520 3.150 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000350152677 165012596 /nfs/dbraw/zinc/01/25/96/165012596.db2.gz ZDQUENCSLRFDLN-UHFFFAOYSA-N 2 0 332.879 3.299 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000350157076 165013783 /nfs/dbraw/zinc/01/37/83/165013783.db2.gz RBJAOCJNBKAJGT-IPMKNSEASA-N 2 0 326.525 3.014 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)ccc1Br ZINC000350312465 165027888 /nfs/dbraw/zinc/02/78/88/165027888.db2.gz BAHDZXGPDBJETJ-UHFFFAOYSA-N 2 0 347.272 3.036 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000352051537 165211375 /nfs/dbraw/zinc/21/13/75/165211375.db2.gz CMXXUCNAWMVDPO-RLLQIKCJSA-N 2 0 345.531 3.322 20 0 EGADRP COCc1ccccc1/C=C(\C)C[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000352072503 165220374 /nfs/dbraw/zinc/22/03/74/165220374.db2.gz WTMGTSWJBSRGLP-XPLIPZDOSA-N 2 0 346.515 3.325 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+](C)C2CCCC2)cc1)C1CC1 ZINC000355211019 166134923 /nfs/dbraw/zinc/13/49/23/166134923.db2.gz TYUKZJAICHOXOD-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]C[C@@H]2CC=CCC2)[C@@H](c2ccccc2)C1 ZINC000359080017 167061948 /nfs/dbraw/zinc/06/19/48/167061948.db2.gz DCUDWHJAQIBFRZ-TZIWHRDSSA-N 2 0 327.516 3.311 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC000359369574 167138578 /nfs/dbraw/zinc/13/85/78/167138578.db2.gz HRDXGCAJTNDDTH-UXHICEINSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000359527562 167180299 /nfs/dbraw/zinc/18/02/99/167180299.db2.gz SLSUYPCDFMNQHX-KRWDZBQOSA-N 2 0 329.513 3.217 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087896 167264437 /nfs/dbraw/zinc/26/44/37/167264437.db2.gz JTZIQVODQGFJSV-CABCVRRESA-N 2 0 344.425 3.413 20 0 EGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000366919447 168157003 /nfs/dbraw/zinc/15/70/03/168157003.db2.gz CPVPZTORJNYYTJ-AWEZNQCLSA-N 2 0 339.361 3.351 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCCCF)CC2)CC1 ZINC000367463186 168229487 /nfs/dbraw/zinc/22/94/87/168229487.db2.gz JYPHKHVMQKOPRY-UHFFFAOYSA-N 2 0 327.532 3.254 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000367532629 168238238 /nfs/dbraw/zinc/23/82/38/168238238.db2.gz CHNGCMPBCNIUAK-VCWRXUFXSA-N 2 0 349.563 3.111 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000353457546 287321847 /nfs/dbraw/zinc/32/18/47/287321847.db2.gz HEOLELUDSXFEMX-IXDOHACOSA-N 2 0 349.544 3.025 20 0 EGADRP C[C@H]1C[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000166275783 226153345 /nfs/dbraw/zinc/15/33/45/226153345.db2.gz KXEZRBIIHMNXMG-OXJNMPFZSA-N 2 0 345.506 3.047 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000174605361 265059472 /nfs/dbraw/zinc/05/94/72/265059472.db2.gz AGTHGPYQJUYUHS-UHFFFAOYSA-N 2 0 345.531 3.265 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000187004019 265571172 /nfs/dbraw/zinc/57/11/72/265571172.db2.gz UFJXSAPZZFWESZ-GHTZIAJQSA-N 2 0 329.532 3.452 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000194018809 266083809 /nfs/dbraw/zinc/08/38/09/266083809.db2.gz NVNXJICGDQONFK-OKZBNKHCSA-N 2 0 345.531 3.454 20 0 EGADRP C[C@@H]([NH2+]CCCc1nccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000271422900 266658594 /nfs/dbraw/zinc/65/85/94/266658594.db2.gz ARVRMOQOKXQKGP-OAHLLOKOSA-N 2 0 333.501 3.367 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000271510200 266676561 /nfs/dbraw/zinc/67/65/61/266676561.db2.gz NTMUGTHLUDHCKR-NJDAHSKKSA-N 2 0 328.500 3.422 20 0 EGADRP COc1sc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1Br ZINC000272421777 266839071 /nfs/dbraw/zinc/83/90/71/266839071.db2.gz DIPUPASRVIVJKZ-UHFFFAOYSA-N 2 0 347.322 3.341 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1C ZINC000272581171 266874962 /nfs/dbraw/zinc/87/49/62/266874962.db2.gz QNAKVNGPZDOURL-MRXNPFEDSA-N 2 0 331.504 3.342 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274807609 267290563 /nfs/dbraw/zinc/29/05/63/267290563.db2.gz HBQZNILIBKTBPK-MAUKXSAKSA-N 2 0 329.513 3.494 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278376461 268000113 /nfs/dbraw/zinc/00/01/13/268000113.db2.gz DWDSVMAGISSTHW-WIYYLYMNSA-N 3 0 341.543 3.361 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278445259 268015118 /nfs/dbraw/zinc/01/51/18/268015118.db2.gz KWVMCBIAQDJNLY-INIZCTEOSA-N 2 0 332.488 3.237 20 0 EGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278460912 268018486 /nfs/dbraw/zinc/01/84/86/268018486.db2.gz JCMPRIULDNIWBT-OXQOHEQNSA-N 2 0 332.488 3.163 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278511741 268028849 /nfs/dbraw/zinc/02/88/49/268028849.db2.gz RLXQUVPBCHNHPK-GOSISDBHSA-N 2 0 346.515 3.489 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000044533217 275131771 /nfs/dbraw/zinc/13/17/71/275131771.db2.gz RWSBXSFRIVIDNA-OLZOCXBDSA-N 2 0 341.293 3.450 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180716432 275203749 /nfs/dbraw/zinc/20/37/49/275203749.db2.gz OVKMMUCYHDXTMT-BHUNQDJPSA-N 2 0 339.524 3.285 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000194882971 275229120 /nfs/dbraw/zinc/22/91/20/275229120.db2.gz ZSZXAHAWTOWUBZ-SJORKVTESA-N 2 0 335.561 3.333 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000237868879 275231960 /nfs/dbraw/zinc/23/19/60/275231960.db2.gz UWXDSYROODNMNR-BBWFWOEESA-N 2 0 349.544 3.299 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(CO)c1 ZINC000271887671 275238872 /nfs/dbraw/zinc/23/88/72/275238872.db2.gz JIWYURRSTJICFX-MRXNPFEDSA-N 2 0 325.456 3.141 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](OC)c2ccccc2)[C@H](C)C1 ZINC000279736221 275354764 /nfs/dbraw/zinc/35/47/64/275354764.db2.gz ODSIRJVUEVFFSM-RMVXJAJNSA-N 2 0 348.531 3.489 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cn1 ZINC000279765872 275357479 /nfs/dbraw/zinc/35/74/79/275357479.db2.gz RVTJDWYYKBNAKO-HSALFYBXSA-N 2 0 337.467 3.369 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000280073626 275401637 /nfs/dbraw/zinc/40/16/37/275401637.db2.gz XVXQKIQXBHUJRW-JKSUJKDBSA-N 2 0 337.939 3.448 20 0 EGADRP CN(CCC[NH+]1CCCC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000281616817 275563230 /nfs/dbraw/zinc/56/32/30/275563230.db2.gz FLQPBUKVAUUWAM-UHFFFAOYSA-N 2 0 343.471 3.052 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000282610213 275653260 /nfs/dbraw/zinc/65/32/60/275653260.db2.gz IFXCTKAKQUHUDK-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000359257542 275666433 /nfs/dbraw/zinc/66/64/33/275666433.db2.gz BJRQDJRKYAKELS-FQEVSTJZSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCc3c(O)cccc32)C[C@@H](C)O1 ZINC000284858649 275831485 /nfs/dbraw/zinc/83/14/85/275831485.db2.gz ALDCTJTXITXUKA-MDZRGWNJSA-N 2 0 332.488 3.249 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000355408033 276110486 /nfs/dbraw/zinc/11/04/86/276110486.db2.gz DVPBGPFFZUIAHY-IRXDYDNUSA-N 2 0 331.504 3.017 20 0 EGADRP CC(=O)Nc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000288352490 276205223 /nfs/dbraw/zinc/20/52/23/276205223.db2.gz CGBUAQZCQKIEAA-KKSFZXQISA-N 2 0 337.467 3.398 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1C ZINC000288675801 276240873 /nfs/dbraw/zinc/24/08/73/276240873.db2.gz WREUTCDCUCJJRD-UHFFFAOYSA-N 2 0 327.472 3.319 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000292176120 276745227 /nfs/dbraw/zinc/74/52/27/276745227.db2.gz WKFSZXLPRPEKAL-FQEVSTJZSA-N 2 0 343.515 3.067 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000193979589 276763391 /nfs/dbraw/zinc/76/33/91/276763391.db2.gz HKLNHMLSJCAKHZ-VAMGGRTRSA-N 2 0 344.499 3.064 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000342283562 276930679 /nfs/dbraw/zinc/93/06/79/276930679.db2.gz HSCMEYIETXRDAD-UONOGXRCSA-N 2 0 325.859 3.072 20 0 EGADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCCS1)C1CC[NH+](C)CC1 ZINC000151157667 277003252 /nfs/dbraw/zinc/00/32/52/277003252.db2.gz ISLNIWKWLNCPPB-SFHVURJKSA-N 2 0 333.545 3.202 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCCS2)CC1 ZINC000092411386 277113448 /nfs/dbraw/zinc/11/34/48/277113448.db2.gz AEYNEFMLPAMGLA-CQSZACIVSA-N 2 0 339.936 3.077 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000376425912 277151178 /nfs/dbraw/zinc/15/11/78/277151178.db2.gz JNVDIMAJBIFQTP-GOSISDBHSA-N 2 0 335.536 3.163 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)c2ccccc2C1 ZINC000361908130 278055968 /nfs/dbraw/zinc/05/59/68/278055968.db2.gz NFLJGSMLPHCGLT-UTKZUKDTSA-N 2 0 343.515 3.192 20 0 EGADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(C)ccc1OC ZINC000246345675 288039012 /nfs/dbraw/zinc/03/90/12/288039012.db2.gz HFZMCXKVXBQAFH-HKUYNNGSSA-N 2 0 334.504 3.281 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000264013176 279045663 /nfs/dbraw/zinc/04/56/63/279045663.db2.gz GQEPUIPSYMXUBV-HKUYNNGSSA-N 2 0 333.520 3.306 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895929 288104896 /nfs/dbraw/zinc/10/48/96/288104896.db2.gz FAPXZPGYVLJTOU-SACAXFFCSA-N 2 0 329.532 3.358 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000267251361 279136737 /nfs/dbraw/zinc/13/67/37/279136737.db2.gz DEAPTTBEUVBERQ-RTBURBONSA-N 2 0 331.504 3.131 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)cc1)C(C)C ZINC000177215924 279235900 /nfs/dbraw/zinc/23/59/00/279235900.db2.gz FDJAJFDRDQFBBN-LPHOPBHVSA-N 2 0 343.515 3.272 20 0 EGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000354276497 288159035 /nfs/dbraw/zinc/15/90/35/288159035.db2.gz BXUOPISJMPFUJP-CALCHBBNSA-N 2 0 326.525 3.155 20 0 EGADRP COc1ccccc1C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000191455500 295360440 /nfs/dbraw/zinc/36/04/40/295360440.db2.gz AJTISWSQBCFFFL-UHFFFAOYSA-N 2 0 345.531 3.076 20 0 EGADRP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000357820738 298157292 /nfs/dbraw/zinc/15/72/92/298157292.db2.gz FBRITYFXNFBIOR-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000090408794 307458582 /nfs/dbraw/zinc/45/85/82/307458582.db2.gz ZDMHRRHBJJEAST-LAUBAEHRSA-N 2 0 329.532 3.413 20 0 EGADRP C[C@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000093405141 307468286 /nfs/dbraw/zinc/46/82/86/307468286.db2.gz VZTUOUUSWVWKTP-VQIMIIECSA-N 2 0 335.561 3.453 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123167613 307536776 /nfs/dbraw/zinc/53/67/76/307536776.db2.gz VDUCBMIMZBJULR-IAGOWNOFSA-N 2 0 339.524 3.144 20 0 EGADRP CCCc1cc(N2CC[NH+](C3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000125765338 307559099 /nfs/dbraw/zinc/55/90/99/307559099.db2.gz CLZSXUMVTVQAMU-UHFFFAOYSA-N 2 0 339.483 3.488 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414067230 309058882 /nfs/dbraw/zinc/05/88/82/309058882.db2.gz ADYPIDXELHTWPY-SJLPKXTDSA-N 2 0 336.907 3.413 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1C[C@@H]1C ZINC000414093579 309060639 /nfs/dbraw/zinc/06/06/39/309060639.db2.gz MJWRATHECIKCTN-DBVUQKKJSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000414170089 309064511 /nfs/dbraw/zinc/06/45/11/309064511.db2.gz BPNJSEODLUSDCB-IAGOWNOFSA-N 2 0 329.488 3.196 20 0 EGADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414337588 309073756 /nfs/dbraw/zinc/07/37/56/309073756.db2.gz DQNUQVZVWIGVBW-OLMNPRSZSA-N 2 0 329.463 3.465 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000245758110 307958583 /nfs/dbraw/zinc/95/85/83/307958583.db2.gz HYARICRSHXPYMU-KURKYZTESA-N 2 0 345.531 3.358 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000248649394 308008611 /nfs/dbraw/zinc/00/86/11/308008611.db2.gz RMNISVUYQFEWCQ-PCCBWWKXSA-N 2 0 343.559 3.430 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1 ZINC000271846841 308066858 /nfs/dbraw/zinc/06/68/58/308066858.db2.gz IRQVXBKZZFBLEW-CDHQVMDDSA-N 2 0 334.479 3.287 20 0 EGADRP Cn1cc(C[NH2+]CCCCC[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000292894895 308077550 /nfs/dbraw/zinc/07/75/50/308077550.db2.gz DGRKMMRJRKIXAH-UHFFFAOYSA-N 2 0 326.488 3.443 20 0 EGADRP FC(F)COCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293314976 308119575 /nfs/dbraw/zinc/11/95/75/308119575.db2.gz LSKJBKBJTKHCJV-UHFFFAOYSA-N 2 0 338.442 3.256 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000293671324 308151448 /nfs/dbraw/zinc/15/14/48/308151448.db2.gz ZNPDVZOJDAJSKC-UHFFFAOYSA-N 2 0 331.504 3.058 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000293704834 308154451 /nfs/dbraw/zinc/15/44/51/308154451.db2.gz MIPQXWABKPROQC-HUUCEWRRSA-N 2 0 338.879 3.116 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293807478 308163657 /nfs/dbraw/zinc/16/36/57/308163657.db2.gz RLBSXRBBGJSZFX-CVEARBPZSA-N 2 0 343.471 3.168 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H](O)C(C)C ZINC000414531000 309086811 /nfs/dbraw/zinc/08/68/11/309086811.db2.gz RFPZVHMBUJLKDW-PZJWPPBQSA-N 2 0 347.547 3.102 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(SC)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000294902541 308269584 /nfs/dbraw/zinc/26/95/84/308269584.db2.gz FPCSTIGSCLRFRE-ZYSHUDEJSA-N 2 0 335.561 3.331 20 0 EGADRP CCC[NH+]1CCC(NC[C@H](c2ccc(SC)cc2)[NH+](C)C)CC1 ZINC000294974639 308277883 /nfs/dbraw/zinc/27/78/83/308277883.db2.gz KDMMLIJVBJXIJU-LJQANCHMSA-N 2 0 335.561 3.475 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656842 309094047 /nfs/dbraw/zinc/09/40/47/309094047.db2.gz GHGXFZLFJYELIA-HZPDHXFCSA-N 2 0 339.487 3.229 20 0 EGADRP Cc1cccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414699177 309096166 /nfs/dbraw/zinc/09/61/66/309096166.db2.gz JMRWRXUMMSZNJU-ICSRJNTNSA-N 2 0 343.515 3.109 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000414661426 309094418 /nfs/dbraw/zinc/09/44/18/309094418.db2.gz XBNUHFFTNDYECR-FQEVSTJZSA-N 2 0 342.462 3.284 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414668702 309094735 /nfs/dbraw/zinc/09/47/35/309094735.db2.gz AQKHJBYWLGUZBY-NWDGAFQWSA-N 2 0 344.286 3.252 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414670751 309094781 /nfs/dbraw/zinc/09/47/81/309094781.db2.gz MMCQVAVYAMEFOM-KFKAGJAMSA-N 2 0 338.499 3.339 20 0 EGADRP C[C@H](C[NH3+])N(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414718043 309097242 /nfs/dbraw/zinc/09/72/42/309097242.db2.gz VCFHBDFMHIRUDL-OAHLLOKOSA-N 2 0 332.492 3.262 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414742274 309098378 /nfs/dbraw/zinc/09/83/78/309098378.db2.gz FYKPVOSCVDQNGE-YPMHNXCESA-N 2 0 329.257 3.408 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000297414567 308531708 /nfs/dbraw/zinc/53/17/08/308531708.db2.gz DETWYBRRQLXWEP-MRXNPFEDSA-N 2 0 344.459 3.214 20 0 EGADRP CC(C)(O)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297624349 308551034 /nfs/dbraw/zinc/55/10/34/308551034.db2.gz LOJHKNYJVRPLKS-UHFFFAOYSA-N 2 0 325.456 3.068 20 0 EGADRP Brc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414775300 309100228 /nfs/dbraw/zinc/10/02/28/309100228.db2.gz GLBHKBMIRKQFBQ-STQMWFEESA-N 2 0 329.307 3.332 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccsc3)s2)CC12CCOCC2 ZINC000414775272 309100321 /nfs/dbraw/zinc/10/03/21/309100321.db2.gz GJLVMIDRNLJTNB-CQSZACIVSA-N 2 0 349.525 3.059 20 0 EGADRP CCOc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccc1O ZINC000297775613 308562603 /nfs/dbraw/zinc/56/26/03/308562603.db2.gz VVKQBZKFSQIVQV-UHFFFAOYSA-N 2 0 341.455 3.192 20 0 EGADRP COC(=O)Nc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298146435 308588121 /nfs/dbraw/zinc/58/81/21/308588121.db2.gz RDIPTJDRTIFBGF-UHFFFAOYSA-N 2 0 340.427 3.019 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC12CCOCC2 ZINC000414788757 309101371 /nfs/dbraw/zinc/10/13/71/309101371.db2.gz XGMGQKPUURRFPA-INIZCTEOSA-N 2 0 345.874 3.076 20 0 EGADRP COc1ccc(Br)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414794946 309101974 /nfs/dbraw/zinc/10/19/74/309101974.db2.gz GIEHYPGPVRXWTC-NHYWBVRUSA-N 2 0 327.266 3.065 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414809477 309102826 /nfs/dbraw/zinc/10/28/26/309102826.db2.gz UGQUYIKSXWZADX-BEFAXECRSA-N 2 0 335.923 3.412 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414812234 309103203 /nfs/dbraw/zinc/10/32/03/309103203.db2.gz XHMWFIDDQNLVRX-FXAWDEMLSA-N 2 0 325.456 3.268 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301514746 308703463 /nfs/dbraw/zinc/70/34/63/308703463.db2.gz LKULGAABUDBHDQ-IAGOWNOFSA-N 2 0 339.524 3.286 20 0 EGADRP FC(F)Oc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000414837017 309104723 /nfs/dbraw/zinc/10/47/23/309104723.db2.gz TYYXZHSJMOSOMA-SNVBAGLBSA-N 2 0 349.219 3.140 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414848088 309105329 /nfs/dbraw/zinc/10/53/29/309105329.db2.gz WRLIQQSFKIQZLV-QWHCGFSZSA-N 2 0 343.284 3.499 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000360964493 308895925 /nfs/dbraw/zinc/89/59/25/308895925.db2.gz SJOITFNLJXFWFW-VQIMIIECSA-N 2 0 349.519 3.110 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000411357405 308935534 /nfs/dbraw/zinc/93/55/34/308935534.db2.gz ANAFGFMCCPESBL-NRFANRHFSA-N 2 0 343.515 3.106 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000411522878 308942626 /nfs/dbraw/zinc/94/26/26/308942626.db2.gz GEKZYOKEQISMDP-VQTJNVASSA-N 2 0 345.506 3.031 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000411769812 308952268 /nfs/dbraw/zinc/95/22/68/308952268.db2.gz KXZLEYCIJTXFHP-INIZCTEOSA-N 2 0 343.515 3.204 20 0 EGADRP CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412275905 308978413 /nfs/dbraw/zinc/97/84/13/308978413.db2.gz KXOGZQQOXOJVTL-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414870196 309106473 /nfs/dbraw/zinc/10/64/73/309106473.db2.gz BKZZDRBQFHBZFF-MRVPVSSYSA-N 2 0 325.172 3.152 20 0 EGADRP CCCOc1c(Br)cc(C[NH2+][C@H](C)CC[NH3+])cc1OC ZINC000414878785 309106835 /nfs/dbraw/zinc/10/68/35/309106835.db2.gz HKBCTCRITJHQON-LLVKDONJSA-N 2 0 345.281 3.073 20 0 EGADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000414903880 309108431 /nfs/dbraw/zinc/10/84/31/309108431.db2.gz MPIOVLIHRHRBQM-UHFFFAOYSA-N 2 0 346.393 3.116 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414948899 309111005 /nfs/dbraw/zinc/11/10/05/309111005.db2.gz MTHZEGSNDYSUCK-JHJVBQTASA-N 2 0 343.393 3.153 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414988350 309112885 /nfs/dbraw/zinc/11/28/85/309112885.db2.gz FSEOGEINGHZIQN-SMDDNHRTSA-N 2 0 327.266 3.065 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414991310 309113084 /nfs/dbraw/zinc/11/30/84/309113084.db2.gz AYWUPVMQLUVTRV-XNRPHZJLSA-N 2 0 325.294 3.487 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414997881 309113425 /nfs/dbraw/zinc/11/34/25/309113425.db2.gz QENYAXWKDDTREB-YOEHRIQHSA-N 2 0 332.879 3.441 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(Br)c(F)c1 ZINC000415001838 309113654 /nfs/dbraw/zinc/11/36/54/309113654.db2.gz YOHBSJMILCMYFW-QOARYFPJSA-N 2 0 327.241 3.194 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415005977 309113799 /nfs/dbraw/zinc/11/37/99/309113799.db2.gz ZRHJRLNVNZPIFU-RDJZCZTQSA-N 2 0 330.451 3.235 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000415008282 309113957 /nfs/dbraw/zinc/11/39/57/309113957.db2.gz SFIVKDSPVJKODC-KKUMJFAQSA-N 2 0 337.895 3.473 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013727 309114355 /nfs/dbraw/zinc/11/43/55/309114355.db2.gz VMHQSVFILNNTFJ-OKZBNKHCSA-N 2 0 332.488 3.003 20 0 EGADRP Cc1cc(Br)cn2c(C[NH2+][C@H](C)CCCC[NH3+])cnc12 ZINC000415015981 309114422 /nfs/dbraw/zinc/11/44/22/309114422.db2.gz ORRPRPXRWNOSPY-GFCCVEGCSA-N 2 0 339.281 3.012 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000415018962 309114642 /nfs/dbraw/zinc/11/46/42/309114642.db2.gz HRMIAGXQPZMUNM-MRXNPFEDSA-N 2 0 335.455 3.151 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415022667 309114809 /nfs/dbraw/zinc/11/48/09/309114809.db2.gz ZYJJAORGYHBVAP-ZDUSSCGKSA-N 2 0 340.393 3.498 20 0 EGADRP CCOc1c(Br)cc(C[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000415025060 309115002 /nfs/dbraw/zinc/11/50/02/309115002.db2.gz QCNHWISGOQFQKS-LLVKDONJSA-N 2 0 345.281 3.073 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000415050330 309116645 /nfs/dbraw/zinc/11/66/45/309116645.db2.gz YMQDXMOJUXSZHK-LPHOPBHVSA-N 2 0 338.499 3.442 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC(F)F ZINC000415057073 309117121 /nfs/dbraw/zinc/11/71/21/309117121.db2.gz TVDUWULUPLJHRJ-LSDHHAIUSA-N 2 0 340.414 3.261 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000415085686 309119322 /nfs/dbraw/zinc/11/93/22/309119322.db2.gz QZHUSNXSFHLOMI-ZBFHGGJFSA-N 2 0 330.501 3.258 20 0 EGADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415086257 309119331 /nfs/dbraw/zinc/11/93/31/309119331.db2.gz RXQREWHPUKLJPO-FFBSJQTRSA-N 2 0 346.515 3.419 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415108735 309120878 /nfs/dbraw/zinc/12/08/78/309120878.db2.gz MWTPPFRQLZKYGD-CDHQVMDDSA-N 2 0 332.488 3.017 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415122721 309121917 /nfs/dbraw/zinc/12/19/17/309121917.db2.gz KMLCQMIZMCACNY-XFQXTVEOSA-N 2 0 332.488 3.017 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000415126848 309122448 /nfs/dbraw/zinc/12/24/48/309122448.db2.gz MLOGIUKKJCJGGX-VQIMIIECSA-N 2 0 325.456 3.077 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C1 ZINC000415129371 309122562 /nfs/dbraw/zinc/12/25/62/309122562.db2.gz UMZPEEKVUURDJY-WBVHZDCISA-N 2 0 340.414 3.006 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000415132832 309122808 /nfs/dbraw/zinc/12/28/08/309122808.db2.gz URALULKFWGGXPM-FUHWJXTLSA-N 2 0 325.456 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000415132831 309122885 /nfs/dbraw/zinc/12/28/85/309122885.db2.gz URALULKFWGGXPM-AEFFLSMTSA-N 2 0 325.456 3.077 20 0 EGADRP CCc1oc2ccccc2c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415137263 309123271 /nfs/dbraw/zinc/12/32/71/309123271.db2.gz SSONDVJTGZFXHT-MSOLQXFVSA-N 2 0 340.467 3.196 20 0 EGADRP C[C@@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccc(Cl)c1 ZINC000415145340 309123683 /nfs/dbraw/zinc/12/36/83/309123683.db2.gz WWGUFLCSVAUNLY-QGTPRVQTSA-N 2 0 334.891 3.144 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000415930675 309149435 /nfs/dbraw/zinc/14/94/35/309149435.db2.gz KSPKITJPFNDFBK-UHFFFAOYSA-N 2 0 340.471 3.050 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000415931568 309149548 /nfs/dbraw/zinc/14/95/48/309149548.db2.gz MFQQJWLVRVMRKJ-GOSISDBHSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000415935349 309149872 /nfs/dbraw/zinc/14/98/72/309149872.db2.gz RJEJCGUNGDCFDT-MRXNPFEDSA-N 2 0 346.500 3.282 20 0 EGADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415937459 309149999 /nfs/dbraw/zinc/14/99/99/309149999.db2.gz WNPOLSQLYKPKNF-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000415940023 309150159 /nfs/dbraw/zinc/15/01/59/309150159.db2.gz DETJHNWZAZZBSS-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973636 309152187 /nfs/dbraw/zinc/15/21/87/309152187.db2.gz PDBKTWRQOPEBAJ-GOSISDBHSA-N 2 0 332.492 3.182 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416153830 309161166 /nfs/dbraw/zinc/16/11/66/309161166.db2.gz GBTWHJQVPKYYPX-NEWSRXKRSA-N 2 0 331.504 3.011 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000416244983 309165594 /nfs/dbraw/zinc/16/55/94/309165594.db2.gz WZHLBVMDLHSQIW-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000417697844 309218381 /nfs/dbraw/zinc/21/83/81/309218381.db2.gz FTWXCVMQNMWNEU-FUHWJXTLSA-N 2 0 348.535 3.131 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000417982213 309230541 /nfs/dbraw/zinc/23/05/41/309230541.db2.gz MXMMIJJORXBOMU-YPAWHYETSA-N 2 0 336.479 3.147 20 0 EGADRP C[C@@H](CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000418011496 309231616 /nfs/dbraw/zinc/23/16/16/309231616.db2.gz WXCUFRLYOJNDRN-HKUYNNGSSA-N 2 0 346.519 3.030 20 0 EGADRP [NH3+]CC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000420275992 309279154 /nfs/dbraw/zinc/27/91/54/309279154.db2.gz QQQGZWCTWQTTAH-LJQANCHMSA-N 2 0 341.430 3.176 20 0 EGADRP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297482 309279856 /nfs/dbraw/zinc/27/98/56/309279856.db2.gz FYMZQIVEXAPHJA-KQLYMOGASA-N 2 0 342.458 3.140 20 0 EGADRP COCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)c1ccccc1 ZINC000420295494 309280003 /nfs/dbraw/zinc/28/00/03/309280003.db2.gz ARPOQMTXZYUWNR-PXNSSMCTSA-N 2 0 342.483 3.447 20 0 EGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420301297 309280379 /nfs/dbraw/zinc/28/03/79/309280379.db2.gz AMULHAXNYDPIEO-ACRUOGEOSA-N 3 0 329.532 3.048 20 0 EGADRP C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420303001 309280562 /nfs/dbraw/zinc/28/05/62/309280562.db2.gz KFEYYMPDQUROHY-SNRMKQJTSA-N 2 0 338.451 3.357 20 0 EGADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420317671 309281666 /nfs/dbraw/zinc/28/16/66/309281666.db2.gz NQCRQKQQLUGQEE-JVPBZIDWSA-N 2 0 332.875 3.264 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329433 309282506 /nfs/dbraw/zinc/28/25/06/309282506.db2.gz GTZMNSUJTYPKGB-NXHRZFHOSA-N 2 0 337.467 3.098 20 0 EGADRP Fc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420329795 309282549 /nfs/dbraw/zinc/28/25/49/309282549.db2.gz OZEXTNAGLONHSI-KGLIPLIRSA-N 2 0 341.268 3.410 20 0 EGADRP CSc1ccccc1NC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333873 309282849 /nfs/dbraw/zinc/28/28/49/309282849.db2.gz FXXPIRMLSOLEPG-INIZCTEOSA-N 2 0 347.528 3.201 20 0 EGADRP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420339502 309283228 /nfs/dbraw/zinc/28/32/28/309283228.db2.gz LWLPNBSWVKUKHM-MSOLQXFVSA-N 2 0 340.471 3.121 20 0 EGADRP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345029 309283421 /nfs/dbraw/zinc/28/34/21/309283421.db2.gz UVWLTTXAMDXFPW-SVFBPWRDSA-N 2 0 349.478 3.298 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000420386534 309285659 /nfs/dbraw/zinc/28/56/59/309285659.db2.gz UYEOABQYGYKFFE-KBXCAEBGSA-N 2 0 331.485 3.015 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C[NH3+] ZINC000420417866 309287118 /nfs/dbraw/zinc/28/71/18/309287118.db2.gz WNDLCGZWHWZQCA-SJLPKXTDSA-N 2 0 334.467 3.418 20 0 EGADRP Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420933422 309302144 /nfs/dbraw/zinc/30/21/44/309302144.db2.gz IVWBZHHLQVIKJL-NRFANRHFSA-N 2 0 339.483 3.194 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421320026 309318374 /nfs/dbraw/zinc/31/83/74/309318374.db2.gz BPYNQJCGQTXNDT-UHFFFAOYSA-N 2 0 336.483 3.001 20 0 EGADRP COc1sc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1Br ZINC000421365829 309320594 /nfs/dbraw/zinc/32/05/94/309320594.db2.gz BKXYGMKFTYDKEZ-UHFFFAOYSA-N 2 0 347.322 3.482 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CN(Cc2ccccc2)C1 ZINC000421369601 309320947 /nfs/dbraw/zinc/32/09/47/309320947.db2.gz IHAYBAPDVCDBBC-AFVILVPDSA-N 2 0 329.532 3.359 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000421827146 309341896 /nfs/dbraw/zinc/34/18/96/309341896.db2.gz WNDQMCGDMZUHCY-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP COC1([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000421840263 309342668 /nfs/dbraw/zinc/34/26/68/309342668.db2.gz YLZMJPMHVMBOMD-KRWDZBQOSA-N 2 0 334.504 3.107 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000421840721 309342786 /nfs/dbraw/zinc/34/27/86/309342786.db2.gz IZHPNPLNASDWDP-LSDHHAIUSA-N 2 0 341.902 3.026 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)ccc2o1 ZINC000422637395 309363241 /nfs/dbraw/zinc/36/32/41/309363241.db2.gz OOHNPQTYVHEFML-XEZPLFJOSA-N 2 0 330.428 3.025 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422702140 309363731 /nfs/dbraw/zinc/36/37/31/309363731.db2.gz KCYCNQNUGIYAGJ-IUODEOHRSA-N 2 0 329.257 3.238 20 0 EGADRP CCC[NH+](CCC)CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422716871 309364680 /nfs/dbraw/zinc/36/46/80/309364680.db2.gz UUETZVJUZSSDHK-FPOVZHCZSA-N 2 0 345.531 3.344 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000422719152 309364759 /nfs/dbraw/zinc/36/47/59/309364759.db2.gz XQISEMJRPPHEHM-HOJAQTOUSA-N 2 0 345.531 3.329 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000422722154 309364788 /nfs/dbraw/zinc/36/47/88/309364788.db2.gz OZDAKHSPESUMMY-UHFFFAOYSA-N 2 0 326.868 3.354 20 0 EGADRP CCc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000422727063 309365345 /nfs/dbraw/zinc/36/53/45/309365345.db2.gz BLGFXCOVVFQDQR-BTYIYWSLSA-N 2 0 340.515 3.365 20 0 EGADRP CC1CC[NH+]([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000422728553 309365551 /nfs/dbraw/zinc/36/55/51/309365551.db2.gz AGRYOAMZZJZMPS-JGUMPVPUSA-N 2 0 327.516 3.332 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422733990 309365712 /nfs/dbraw/zinc/36/57/12/309365712.db2.gz BVNZQUMBFGKUSY-AZUAARDMSA-N 3 0 347.547 3.070 20 0 EGADRP Fc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422734778 309365941 /nfs/dbraw/zinc/36/59/41/309365941.db2.gz UAEUIKBGDNYKQM-ICSRJNTNSA-N 2 0 326.415 3.214 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)N(C)C ZINC000422740228 309366007 /nfs/dbraw/zinc/36/60/07/309366007.db2.gz BEGSHGZNADHRLU-SCTDSRPQSA-N 2 0 333.520 3.198 20 0 EGADRP COc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3[NH3+])CCCCC2)cc1OC ZINC000422738012 309366030 /nfs/dbraw/zinc/36/60/30/309366030.db2.gz YGEIDVAMLHPHCG-SJORKVTESA-N 2 0 332.488 3.375 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000422747532 309366296 /nfs/dbraw/zinc/36/62/96/309366296.db2.gz QHSONEGLONVEKX-SGTLLEGYSA-N 2 0 348.441 3.080 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000422755215 309366796 /nfs/dbraw/zinc/36/67/96/309366796.db2.gz FQLXLXPPCUDAAS-WAOWUJCRSA-N 2 0 336.435 3.356 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422761024 309366977 /nfs/dbraw/zinc/36/69/77/309366977.db2.gz MMGUYWVOSRAGTJ-RYGJVYDSSA-N 2 0 345.918 3.491 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422763265 309367150 /nfs/dbraw/zinc/36/71/50/309367150.db2.gz ORKKTNSXTZBERE-MLGOLLRUSA-N 2 0 343.284 3.499 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422767573 309367363 /nfs/dbraw/zinc/36/73/63/309367363.db2.gz SWAOPDAJSUKSIE-LDQXTDLNSA-N 2 0 341.474 3.343 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000422769598 309367395 /nfs/dbraw/zinc/36/73/95/309367395.db2.gz VRDJWJHPBMXEPN-NSHDSACASA-N 2 0 334.261 3.462 20 0 EGADRP COc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])c2ccc(OC)cc2)cc1 ZINC000422774323 309367653 /nfs/dbraw/zinc/36/76/53/309367653.db2.gz WQHZPKRFPMTUSK-HKBOAZHASA-N 2 0 340.467 3.457 20 0 EGADRP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])c2ccc(OC)cc2)cc1 ZINC000422774324 309367769 /nfs/dbraw/zinc/36/77/69/309367769.db2.gz WQHZPKRFPMTUSK-NJYVYQBISA-N 2 0 340.467 3.457 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc(OCC)c2)CC[NH2+]CC1 ZINC000422777895 309367896 /nfs/dbraw/zinc/36/78/96/309367896.db2.gz GPSKIMZRFPOEFC-HOTGVXAUSA-N 2 0 348.487 3.057 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422789532 309368334 /nfs/dbraw/zinc/36/83/34/309368334.db2.gz UATOISHLZLRTGX-BBRMVZONSA-N 2 0 337.305 3.458 20 0 EGADRP Cc1nc(C)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422791311 309368419 /nfs/dbraw/zinc/36/84/19/309368419.db2.gz USAMVKZEAWNRBW-CRAIPNDOSA-N 2 0 329.469 3.105 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(Br)c1 ZINC000422792932 309368522 /nfs/dbraw/zinc/36/85/22/309368522.db2.gz FAFHLIYHBNUAQM-WOSRLPQWSA-N 2 0 341.293 3.194 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000422795166 309368681 /nfs/dbraw/zinc/36/86/81/309368681.db2.gz ZSJSIFOVNSUTDC-YWZLYKJASA-N 2 0 326.488 3.111 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccccc2C[NH+](C)C)cc1 ZINC000422798656 309369091 /nfs/dbraw/zinc/36/90/91/309369091.db2.gz SHQMFCKTOCIGCS-FQEVSTJZSA-N 2 0 339.483 3.301 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000422798480 309369128 /nfs/dbraw/zinc/36/91/28/309369128.db2.gz RIISONFTAAIJRB-FFZOFVMBSA-N 2 0 333.520 3.056 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422811866 309369677 /nfs/dbraw/zinc/36/96/77/309369677.db2.gz PTAWWMZQAZLCDY-PXNSSMCTSA-N 2 0 326.488 3.332 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422812272 309369713 /nfs/dbraw/zinc/36/97/13/309369713.db2.gz WCALMHXBEJGNNV-NJDAHSKKSA-N 3 0 327.516 3.293 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000422816111 309369969 /nfs/dbraw/zinc/36/99/69/309369969.db2.gz ZBYXAAQPTNTGCK-PWRODBHTSA-N 2 0 338.499 3.332 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422814097 309369986 /nfs/dbraw/zinc/36/99/86/309369986.db2.gz ZMVFTOGCQANODJ-XMSQKQJNSA-N 2 0 337.511 3.331 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000422819810 309370105 /nfs/dbraw/zinc/37/01/05/309370105.db2.gz IXDHLAXPMPAVMR-RCCFBDPRSA-N 2 0 336.907 3.364 20 0 EGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000422826606 309370546 /nfs/dbraw/zinc/37/05/46/309370546.db2.gz RBICDYZCQWHBID-CYBMUJFWSA-N 2 0 341.883 3.093 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829849 309370807 /nfs/dbraw/zinc/37/08/07/309370807.db2.gz VBAZRXWNWODMRQ-SJORKVTESA-N 2 0 340.515 3.410 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422834247 309371010 /nfs/dbraw/zinc/37/10/10/309371010.db2.gz XBTFXFNGKNPIOL-FGTMMUONSA-N 2 0 332.488 3.494 20 0 EGADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422838659 309371229 /nfs/dbraw/zinc/37/12/29/309371229.db2.gz OSXXSEFRILAWIE-BRWVUGGUSA-N 2 0 348.487 3.113 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845690 309371797 /nfs/dbraw/zinc/37/17/97/309371797.db2.gz OQBIJEDXEQDQCK-AYOQOUSVSA-N 2 0 335.923 3.455 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845792 309371817 /nfs/dbraw/zinc/37/18/17/309371817.db2.gz OQBIJEDXEQDQCK-MNEFBYGVSA-N 2 0 335.923 3.455 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)cc2c(OC)c1 ZINC000422848937 309371927 /nfs/dbraw/zinc/37/19/27/309371927.db2.gz BJEHPRHAYIBDNH-KDOFPFPSSA-N 2 0 345.487 3.238 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]1 ZINC000422874777 309373248 /nfs/dbraw/zinc/37/32/48/309373248.db2.gz BCOQCUJGJJOKDB-KXBFYZLASA-N 3 0 335.923 3.282 20 0 EGADRP CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1OC(F)F ZINC000422878674 309373500 /nfs/dbraw/zinc/37/35/00/309373500.db2.gz UBYJHQJBPJQDLB-OCCSQVGLSA-N 2 0 328.403 3.294 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422881995 309373855 /nfs/dbraw/zinc/37/38/55/309373855.db2.gz OPBGIMALGGMLGL-SQWLQELKSA-N 2 0 330.476 3.009 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422886914 309374302 /nfs/dbraw/zinc/37/43/02/309374302.db2.gz AACBHWKTCHKDKE-IEBWSBKVSA-N 3 0 333.520 3.014 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422908458 309375539 /nfs/dbraw/zinc/37/55/39/309375539.db2.gz MPPXXXCCGHFVRW-MOPGFXCFSA-N 3 0 331.548 3.437 20 0 EGADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1nc2c(s1)CCCC2 ZINC000422912238 309375885 /nfs/dbraw/zinc/37/58/85/309375885.db2.gz VNVWXKRBZCDSSC-OAGGEKHMSA-N 2 0 333.545 3.465 20 0 EGADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926915 309376467 /nfs/dbraw/zinc/37/64/67/309376467.db2.gz FBSMWCIOESQWEP-HSALFYBXSA-N 2 0 328.500 3.146 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422951145 309377710 /nfs/dbraw/zinc/37/77/10/309377710.db2.gz XQXIYHXCDQXSBX-LSDHHAIUSA-N 2 0 327.266 3.078 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422953020 309377961 /nfs/dbraw/zinc/37/79/61/309377961.db2.gz DSRCKXCVLBCJRF-UKRRQHHQSA-N 2 0 334.851 3.040 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422973415 309379118 /nfs/dbraw/zinc/37/91/18/309379118.db2.gz OMGLQMDADHTWRQ-RBUKOAKNSA-N 2 0 325.456 3.268 20 0 EGADRP FC(F)(F)COCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423000365 309380143 /nfs/dbraw/zinc/38/01/43/309380143.db2.gz GQMIRXFEBGFAEQ-XYPWUTKMSA-N 2 0 328.378 3.138 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]C2CCC(C[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000423007838 309380531 /nfs/dbraw/zinc/38/05/31/309380531.db2.gz YQJJFMMATBMVGG-OMZYAQQMSA-N 3 0 329.532 3.394 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423012164 309380827 /nfs/dbraw/zinc/38/08/27/309380827.db2.gz KENREDGPNHFFJY-HQRMLTQVSA-N 2 0 341.474 3.343 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423009054 309380858 /nfs/dbraw/zinc/38/08/58/309380858.db2.gz BUYHGXSKZXTVEW-NZSAHSFTSA-N 2 0 329.492 3.062 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423013281 309381061 /nfs/dbraw/zinc/38/10/61/309381061.db2.gz MMIPWZCFMPJOTC-OXQOHEQNSA-N 2 0 342.483 3.185 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423019357 309381307 /nfs/dbraw/zinc/38/13/07/309381307.db2.gz VJQZAWSYRKMKTP-YXMPFFBPSA-N 2 0 329.282 3.241 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cncc(F)c1 ZINC000423029829 309381790 /nfs/dbraw/zinc/38/17/90/309381790.db2.gz IRBXCPSNTUTNNT-IRWQIABSSA-N 2 0 327.403 3.127 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423030167 309381989 /nfs/dbraw/zinc/38/19/89/309381989.db2.gz JJUDPPODIWMWKM-BICOSRPSSA-N 2 0 339.527 3.160 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000423033574 309382122 /nfs/dbraw/zinc/38/21/22/309382122.db2.gz XDGYSJTYAQDBJZ-XLIONFOSSA-N 2 0 330.520 3.160 20 0 EGADRP Cn1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000423050126 309383141 /nfs/dbraw/zinc/38/31/41/309383141.db2.gz KULCSJXGQRATLZ-KBAYOESNSA-N 2 0 326.488 3.016 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423055514 309383347 /nfs/dbraw/zinc/38/33/47/309383347.db2.gz WOBOMAZYMAYVBS-IAQYHMDHSA-N 2 0 336.277 3.408 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423055516 309383456 /nfs/dbraw/zinc/38/34/56/309383456.db2.gz WOBOMAZYMAYVBS-NHYWBVRUSA-N 2 0 336.277 3.408 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068098 309384034 /nfs/dbraw/zinc/38/40/34/309384034.db2.gz AWLYRECAKZNMBV-UONOGXRCSA-N 2 0 331.382 3.119 20 0 EGADRP COC[C@H](CCC[NH3+])[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079607 309384784 /nfs/dbraw/zinc/38/47/84/309384784.db2.gz QZFSPVMLNQDBPP-ZDUSSCGKSA-N 2 0 344.286 3.361 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423086605 309385152 /nfs/dbraw/zinc/38/51/52/309385152.db2.gz NOMRPAPVTROACU-MRXNPFEDSA-N 2 0 326.488 3.229 20 0 EGADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423127980 309387193 /nfs/dbraw/zinc/38/71/93/309387193.db2.gz CREOETJZRUBKAR-BZUAXINKSA-N 2 0 327.394 3.153 20 0 EGADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423131565 309387517 /nfs/dbraw/zinc/38/75/17/309387517.db2.gz OGYNCJCRXKHHPW-YSIASYRMSA-N 2 0 330.516 3.328 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423136864 309387772 /nfs/dbraw/zinc/38/77/72/309387772.db2.gz PUDYVQNMASROMS-CXAGYDPISA-N 2 0 337.389 3.191 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccn1 ZINC000423148557 309388369 /nfs/dbraw/zinc/38/83/69/309388369.db2.gz VYFNRJALAOPNIJ-LAUBAEHRSA-N 2 0 337.467 3.205 20 0 EGADRP COCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423161627 309388925 /nfs/dbraw/zinc/38/89/25/309388925.db2.gz JKWAFDKYJKKWHH-PXNSSMCTSA-N 2 0 330.472 3.039 20 0 EGADRP CC1(C)[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423171269 309388973 /nfs/dbraw/zinc/38/89/73/309388973.db2.gz NVSDEVMTTWUJMI-CXQPBAHBSA-N 2 0 328.500 3.173 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423212712 309390609 /nfs/dbraw/zinc/39/06/09/309390609.db2.gz MDAOYXQUNURYCF-HOTGVXAUSA-N 2 0 332.492 3.211 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423249250 309392263 /nfs/dbraw/zinc/39/22/63/309392263.db2.gz OIGDIJCXYGTIAZ-AEFFLSMTSA-N 2 0 326.488 3.448 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000423249776 309392301 /nfs/dbraw/zinc/39/23/01/309392301.db2.gz UBLQKDJCEBJHNP-MAODMQOUSA-N 2 0 325.500 3.358 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Br ZINC000423257560 309392658 /nfs/dbraw/zinc/39/26/58/309392658.db2.gz KAHYTEFRASRGBQ-CHWSQXEVSA-N 2 0 341.293 3.498 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000423273495 309393633 /nfs/dbraw/zinc/39/36/33/309393633.db2.gz JBECAJLOEBUZIV-AXUOBQJMSA-N 2 0 330.472 3.275 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423278218 309393825 /nfs/dbraw/zinc/39/38/25/309393825.db2.gz QVUHGJIOQDNVGM-BXUZGUMPSA-N 2 0 327.266 3.108 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CCC2 ZINC000423283432 309393981 /nfs/dbraw/zinc/39/39/81/309393981.db2.gz WDKOVXXBNSOVLP-RBSFLKMASA-N 2 0 334.460 3.249 20 0 EGADRP COCCC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000423298253 309394436 /nfs/dbraw/zinc/39/44/36/309394436.db2.gz NUOFYXMLSKMBRT-DOMZBBRYSA-N 2 0 329.282 3.101 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000423323525 309395207 /nfs/dbraw/zinc/39/52/07/309395207.db2.gz HZZHHVJONYCLGO-DLBZAZTESA-N 2 0 345.512 3.193 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423326507 309395366 /nfs/dbraw/zinc/39/53/66/309395366.db2.gz KQNTYLBKBNOATC-FQEVSTJZSA-N 2 0 339.483 3.353 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000423325974 309395399 /nfs/dbraw/zinc/39/53/99/309395399.db2.gz KGVAWVRACFWKRG-ZDUSSCGKSA-N 2 0 347.894 3.269 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000423334476 309395685 /nfs/dbraw/zinc/39/56/85/309395685.db2.gz OZGDEYPMWOVRQC-JTDSTZFVSA-N 2 0 329.488 3.245 20 0 EGADRP CCCN(C(=O)CC1(C[NH3+])CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423333350 309395692 /nfs/dbraw/zinc/39/56/92/309395692.db2.gz RLRLFRFTNYRNTN-LJQANCHMSA-N 2 0 343.515 3.019 20 0 EGADRP COCC[NH2+]CCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423340037 309395994 /nfs/dbraw/zinc/39/59/94/309395994.db2.gz SKZSYGZGXRIIAF-LJQANCHMSA-N 2 0 334.410 3.074 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000423344922 309396300 /nfs/dbraw/zinc/39/63/00/309396300.db2.gz FNYLOGKXBCSIHY-LPHOPBHVSA-N 2 0 329.488 3.042 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000423344937 309396329 /nfs/dbraw/zinc/39/63/29/309396329.db2.gz FOLQNIBWGAAVES-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423364280 309397081 /nfs/dbraw/zinc/39/70/81/309397081.db2.gz BBLCSXSTYZJPLM-JFIYKMOQSA-N 2 0 331.504 3.092 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000423371690 309397592 /nfs/dbraw/zinc/39/75/92/309397592.db2.gz AQBCNNODXUHPSC-LSDHHAIUSA-N 2 0 349.828 3.217 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423384772 309398041 /nfs/dbraw/zinc/39/80/41/309398041.db2.gz QKTPIUTUWMUVKS-CVAIRZPRSA-N 2 0 325.456 3.104 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CC[NH2+]CC1 ZINC000423404944 309398676 /nfs/dbraw/zinc/39/86/76/309398676.db2.gz YKACLPHGUXRPQW-QGZVFWFLSA-N 2 0 334.504 3.388 20 0 EGADRP CC(C)(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000423404572 309398745 /nfs/dbraw/zinc/39/87/45/309398745.db2.gz IWTJHCAQSRTXSU-LJQANCHMSA-N 2 0 345.531 3.485 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)CC[NH2+]CC1 ZINC000423407840 309398865 /nfs/dbraw/zinc/39/88/65/309398865.db2.gz NKSYMNOEABHAEP-OAHLLOKOSA-N 2 0 345.512 3.477 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ncc(Br)s1 ZINC000423418204 309399536 /nfs/dbraw/zinc/39/95/36/309399536.db2.gz HBMBDBQVYUCALK-DCAQKATOSA-N 2 0 332.311 3.321 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423430500 309400156 /nfs/dbraw/zinc/40/01/56/309400156.db2.gz KXNALCUZJZWUPK-UZLBHIALSA-N 2 0 327.472 3.481 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423481426 309401968 /nfs/dbraw/zinc/40/19/68/309401968.db2.gz WNGJUNWGOGIKIY-YZGWKJHDSA-N 3 0 329.532 3.189 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000423491062 309402581 /nfs/dbraw/zinc/40/25/81/309402581.db2.gz JAAMZJGTSRZHHO-ZLDLUXBVSA-N 2 0 339.277 3.380 20 0 EGADRP NC1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000423530020 309405088 /nfs/dbraw/zinc/40/50/88/309405088.db2.gz QWUGDHKNSKZPLH-VQTJNVASSA-N 2 0 347.522 3.488 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000423742386 309411158 /nfs/dbraw/zinc/41/11/58/309411158.db2.gz LBSAYSCWKVHUIF-VQTJNVASSA-N 2 0 345.531 3.394 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000423753019 309411567 /nfs/dbraw/zinc/41/15/67/309411567.db2.gz BGJKMOOXHDBPGW-MJGOQNOKSA-N 2 0 343.515 3.289 20 0 EGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423768124 309411935 /nfs/dbraw/zinc/41/19/35/309411935.db2.gz DXCNVKRFJQTZPQ-HKUYNNGSSA-N 2 0 329.488 3.171 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000423862442 309417196 /nfs/dbraw/zinc/41/71/96/309417196.db2.gz SGUVXFJQUYTVCL-FQEVSTJZSA-N 2 0 343.515 3.237 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424155211 309431233 /nfs/dbraw/zinc/43/12/33/309431233.db2.gz MMOBFYCSQKUCHT-SFHVURJKSA-N 2 0 337.552 3.445 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000424271744 309435602 /nfs/dbraw/zinc/43/56/02/309435602.db2.gz SGXYDPOPEHRPOR-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP COC(=O)[C@H](CC[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000425426920 309479861 /nfs/dbraw/zinc/47/98/61/309479861.db2.gz XGHRPJHNJOYBFE-HXUWFJFHSA-N 2 0 346.515 3.387 20 0 EGADRP C[C@@]1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C[C@H]1c1ccccc1 ZINC000425896110 309494083 /nfs/dbraw/zinc/49/40/83/309494083.db2.gz MWBYXAGQYIOHIS-ICSRJNTNSA-N 2 0 325.456 3.425 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000430602618 309612787 /nfs/dbraw/zinc/61/27/87/309612787.db2.gz WXHOAUXEGCCJOC-CQSZACIVSA-N 2 0 335.517 3.057 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430611342 309612917 /nfs/dbraw/zinc/61/29/17/309612917.db2.gz NTMAQIGUFJIZSD-INIZCTEOSA-N 2 0 337.467 3.351 20 0 EGADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000430840505 309619176 /nfs/dbraw/zinc/61/91/76/309619176.db2.gz XRQKPGWQLYNNSP-SJLPKXTDSA-N 2 0 331.504 3.093 20 0 EGADRP Fc1ccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)co2)cc1F ZINC000431015235 309623436 /nfs/dbraw/zinc/62/34/36/309623436.db2.gz STHZQCNABJXNSR-UHFFFAOYSA-N 2 0 333.382 3.195 20 0 EGADRP CC1(C)CC[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000433124334 309679450 /nfs/dbraw/zinc/67/94/50/309679450.db2.gz BJMKCTWLNRFLGC-LJQANCHMSA-N 2 0 343.515 3.119 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2ccccc2C[NH+](C)C)[NH+](C)C)cc1 ZINC000433306194 309685385 /nfs/dbraw/zinc/68/53/85/309685385.db2.gz RMMSISTTWPSYHQ-FQEVSTJZSA-N 2 0 339.483 3.089 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000435397227 309731830 /nfs/dbraw/zinc/73/18/30/309731830.db2.gz DRNVLFMLXVDSAR-UHFFFAOYSA-N 2 0 326.488 3.341 20 0 EGADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443606947 309904403 /nfs/dbraw/zinc/90/44/03/309904403.db2.gz YZZKXWSKJGXRBN-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP c1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCC3)C1)OCCCCO2 ZINC000449029224 310030749 /nfs/dbraw/zinc/03/07/49/310030749.db2.gz NZKXYNXEHYHLKK-SFHVURJKSA-N 2 0 330.472 3.156 20 0 EGADRP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000449029449 310030963 /nfs/dbraw/zinc/03/09/63/310030963.db2.gz OVUVYUCKAZSJTJ-KRWDZBQOSA-N 2 0 340.467 3.003 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449038073 310031994 /nfs/dbraw/zinc/03/19/94/310031994.db2.gz RFSSBPQCGZEZGS-UHFFFAOYSA-N 2 0 331.460 3.151 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC000449081304 310035561 /nfs/dbraw/zinc/03/55/61/310035561.db2.gz DGOWIZLPVMFKBP-UHFFFAOYSA-N 2 0 331.435 3.231 20 0 EGADRP Cc1ccccc1-c1ccccc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000449120042 310038444 /nfs/dbraw/zinc/03/84/44/310038444.db2.gz BUTXMZSIOLKCEY-LJQANCHMSA-N 2 0 337.511 3.388 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000449137362 310039492 /nfs/dbraw/zinc/03/94/92/310039492.db2.gz XTXYIODVEDNXED-YVWKXTFCSA-N 2 0 349.950 3.277 20 0 EGADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449266097 310048834 /nfs/dbraw/zinc/04/88/34/310048834.db2.gz UDIULFKOCRQTST-UHFFFAOYSA-N 2 0 330.472 3.298 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000449506933 310067720 /nfs/dbraw/zinc/06/77/20/310067720.db2.gz ZPJXQLLQOCFCCU-HXUWFJFHSA-N 2 0 345.531 3.075 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000449528710 310069596 /nfs/dbraw/zinc/06/95/96/310069596.db2.gz RLPSPNHGMOMYMY-UHFFFAOYSA-N 2 0 344.402 3.227 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000449744318 310083658 /nfs/dbraw/zinc/08/36/58/310083658.db2.gz GGKRBYLNHPEDKO-UHFFFAOYSA-N 2 0 331.548 3.358 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C/c2ccc(Cl)cc2)CC1 ZINC000449744652 310083879 /nfs/dbraw/zinc/08/38/79/310083879.db2.gz IUXSWNOIVAIRGQ-AATRIKPKSA-N 2 0 335.923 3.359 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000449745797 310083981 /nfs/dbraw/zinc/08/39/81/310083981.db2.gz OWMGLZHCCROJEU-UHFFFAOYSA-N 2 0 349.485 3.361 20 0 EGADRP CC(C)Oc1ccc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000450253045 310111145 /nfs/dbraw/zinc/11/11/45/310111145.db2.gz LUKXFDDHUGMMCW-HOTGVXAUSA-N 2 0 325.456 3.483 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)c2c1 ZINC000450259105 310111512 /nfs/dbraw/zinc/11/15/12/310111512.db2.gz DLCUXAGELDEVOQ-INIZCTEOSA-N 2 0 339.483 3.487 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC000450342037 310116565 /nfs/dbraw/zinc/11/65/65/310116565.db2.gz PGRAXTNYVHAFBN-UHFFFAOYSA-N 2 0 339.483 3.346 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)CO2 ZINC000453058718 310254834 /nfs/dbraw/zinc/25/48/34/310254834.db2.gz LLTUPBACBBWSGM-AEFFLSMTSA-N 2 0 332.488 3.243 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000453058135 310254859 /nfs/dbraw/zinc/25/48/59/310254859.db2.gz KAIGWVZXNPWJSI-ZWKOTPCHSA-N 2 0 338.499 3.429 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000453068229 310255599 /nfs/dbraw/zinc/25/55/99/310255599.db2.gz XZNQZCCVYUBVJQ-QZTJIDSGSA-N 2 0 338.499 3.429 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453070159 310255756 /nfs/dbraw/zinc/25/57/56/310255756.db2.gz MSBYHFVWGWJFAC-MHTWAQMVSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092979 310257427 /nfs/dbraw/zinc/25/74/27/310257427.db2.gz ROWWQUXBWNTVFX-BFYDXBDKSA-N 2 0 330.501 3.452 20 0 EGADRP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453112433 310258702 /nfs/dbraw/zinc/25/87/02/310258702.db2.gz CYFXZYRHYQCUCY-NMLBUPMWSA-N 2 0 348.556 3.133 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccn2)[C@H](C)C1 ZINC000453297662 310269784 /nfs/dbraw/zinc/26/97/84/310269784.db2.gz VEMBLAOPXDRCKP-QZTJIDSGSA-N 2 0 333.520 3.086 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000453408746 310275534 /nfs/dbraw/zinc/27/55/34/310275534.db2.gz SWTUXQGXVSCHJW-HNNXBMFYSA-N 2 0 344.503 3.496 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453411615 310275683 /nfs/dbraw/zinc/27/56/83/310275683.db2.gz VREGTMRTFMLXGX-AWEZNQCLSA-N 2 0 329.488 3.441 20 0 EGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000455855928 310379727 /nfs/dbraw/zinc/37/97/27/310379727.db2.gz NXSQOSVUDYSNJI-KUHUBIRLSA-N 2 0 342.487 3.007 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)C(C)(C)C ZINC000463126874 310609436 /nfs/dbraw/zinc/60/94/36/310609436.db2.gz VVJMUESUAAWCRZ-HNNXBMFYSA-N 2 0 337.474 3.359 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480172653 310890649 /nfs/dbraw/zinc/89/06/49/310890649.db2.gz WXWLKCPNWKCREF-LJQANCHMSA-N 3 0 347.547 3.400 20 0 EGADRP C[C@H]([NH2+]CCN(C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480228972 310891638 /nfs/dbraw/zinc/89/16/38/310891638.db2.gz SCQBQUMTOTYPKK-SFHVURJKSA-N 2 0 341.499 3.414 20 0 EGADRP C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490993543 311160310 /nfs/dbraw/zinc/16/03/10/311160310.db2.gz HKCXWRSFPURPHJ-JTDSTZFVSA-N 2 0 335.923 3.359 20 0 EGADRP Cc1ccc(-c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000491134823 311165703 /nfs/dbraw/zinc/16/57/03/311165703.db2.gz KKTYPWJMODMWDA-GOSISDBHSA-N 2 0 341.524 3.203 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000491142346 311165789 /nfs/dbraw/zinc/16/57/89/311165789.db2.gz WRTPFMQFADYCJN-RXVVDRJESA-N 2 0 343.559 3.142 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000492776816 311289887 /nfs/dbraw/zinc/28/98/87/311289887.db2.gz ZLXVZZHIZLYUNL-JKSUJKDBSA-N 2 0 327.513 3.144 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496432289 311711861 /nfs/dbraw/zinc/71/18/61/311711861.db2.gz AJLFHPLPGVTCPI-DOTOQJQBSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000497273433 311848151 /nfs/dbraw/zinc/84/81/51/311848151.db2.gz ZYVZGRKAXCNNPE-OAHLLOKOSA-N 2 0 333.476 3.053 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000497273432 311848200 /nfs/dbraw/zinc/84/82/00/311848200.db2.gz ZYVZGRKAXCNNPE-HNNXBMFYSA-N 2 0 333.476 3.053 20 0 EGADRP CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506471588 312049589 /nfs/dbraw/zinc/04/95/89/312049589.db2.gz DNLBNVWEGLOVRO-BZSNNMDCSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507466007 312073354 /nfs/dbraw/zinc/07/33/54/312073354.db2.gz CBFGRXFUTHRWKL-JBINPLMMSA-N 2 0 330.516 3.284 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695108 312099560 /nfs/dbraw/zinc/09/95/60/312099560.db2.gz HMICMVCXSYWGNC-CEWLAPEOSA-N 2 0 329.532 3.219 20 0 EGADRP COC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000512294671 312182306 /nfs/dbraw/zinc/18/23/06/312182306.db2.gz JPVOTLHVLXSXKQ-XUVXKRRUSA-N 2 0 328.500 3.446 20 0 EGADRP CC[NH+](CC)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512631408 312190906 /nfs/dbraw/zinc/19/09/06/312190906.db2.gz QRNHAKMSLHHXBY-PWRODBHTSA-N 2 0 329.532 3.219 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191829 /nfs/dbraw/zinc/19/18/29/312191829.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C1CC1 ZINC000512672613 312192056 /nfs/dbraw/zinc/19/20/56/312192056.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 2 0 341.543 3.359 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000514735664 312242705 /nfs/dbraw/zinc/24/27/05/312242705.db2.gz DBEBNIHNNXQIBG-LJQANCHMSA-N 2 0 337.467 3.209 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000516786785 312342090 /nfs/dbraw/zinc/34/20/90/312342090.db2.gz GDYVMDOWLCEORM-MRXNPFEDSA-N 2 0 332.492 3.038 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc12 ZINC000516878635 312347860 /nfs/dbraw/zinc/34/78/60/312347860.db2.gz QQHGTCLYWBNNMK-WMLDXEAASA-N 2 0 341.503 3.019 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000519394354 312452199 /nfs/dbraw/zinc/45/21/99/312452199.db2.gz GAUHMKXXGDKQDR-DLBZAZTESA-N 2 0 331.504 3.154 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248798 313505123 /nfs/dbraw/zinc/50/51/23/313505123.db2.gz PGGXEWKBIHMCEP-QGZVFWFLSA-N 2 0 328.456 3.332 20 0 EGADRP CC(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000536708013 314140658 /nfs/dbraw/zinc/14/06/58/314140658.db2.gz XIXVANDJVCVSSI-NRFANRHFSA-N 2 0 329.532 3.410 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000536848977 314149851 /nfs/dbraw/zinc/14/98/51/314149851.db2.gz XRYDCASYPVXFIS-IPMKNSEASA-N 2 0 334.891 3.295 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000539091444 314295999 /nfs/dbraw/zinc/29/59/99/314295999.db2.gz NBNDFRBOPUBSAX-FPOVZHCZSA-N 2 0 348.531 3.409 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000539646388 314326454 /nfs/dbraw/zinc/32/64/54/314326454.db2.gz OBMKZBWJIQAGCM-IEBWSBKVSA-N 2 0 330.520 3.112 20 0 EGADRP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(-c4cccnc4)n[nH]3)C2)[nH+]1 ZINC000539816481 314341620 /nfs/dbraw/zinc/34/16/20/314341620.db2.gz JBOLBDAGTPPZON-MRXNPFEDSA-N 2 0 348.454 3.109 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C)[C@H](C)C1 ZINC000540191524 314368992 /nfs/dbraw/zinc/36/89/92/314368992.db2.gz UCPQSJABPRBFNG-RTBURBONSA-N 2 0 334.504 3.100 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C)[C@@H](C)C1 ZINC000540191521 314369224 /nfs/dbraw/zinc/36/92/24/314369224.db2.gz UCPQSJABPRBFNG-OALUTQOASA-N 2 0 334.504 3.100 20 0 EGADRP c1sc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)nc1-c1ccncc1 ZINC000540359950 314376802 /nfs/dbraw/zinc/37/68/02/314376802.db2.gz GYNRBVIZUXTQIP-UHFFFAOYSA-N 2 0 342.512 3.212 20 0 EGADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000543943340 314664555 /nfs/dbraw/zinc/66/45/55/314664555.db2.gz RYMCWGKKPINQGX-OAHLLOKOSA-N 2 0 326.488 3.491 20 0 EGADRP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000550380006 315126549 /nfs/dbraw/zinc/12/65/49/315126549.db2.gz MBXFGOQUNGALRR-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000551223752 315146004 /nfs/dbraw/zinc/14/60/04/315146004.db2.gz WPXJGWWOQAABNG-NSHGMRRFSA-N 2 0 345.531 3.182 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000551274148 315147946 /nfs/dbraw/zinc/14/79/46/315147946.db2.gz LEAZLHPDJBODSY-XLIONFOSSA-N 2 0 348.531 3.466 20 0 EGADRP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000552406592 315218763 /nfs/dbraw/zinc/21/87/63/315218763.db2.gz FHQKPIIALQCWEE-MLZLACJZSA-N 2 0 328.500 3.038 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000553987680 315292343 /nfs/dbraw/zinc/29/23/43/315292343.db2.gz QSTQJJODFPTMEU-IAGOWNOFSA-N 2 0 337.552 3.122 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CC[C@H]2C2CC2)[C@H](c2ccccc2)C1 ZINC000554049421 315295454 /nfs/dbraw/zinc/29/54/54/315295454.db2.gz QYVCRNRHVVTBEN-HBMCJLEFSA-N 2 0 327.516 3.143 20 0 EGADRP C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000559898709 315648790 /nfs/dbraw/zinc/64/87/90/315648790.db2.gz DNBDLXJQQLMTNI-PXNSSMCTSA-N 2 0 348.531 3.466 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C1 ZINC000563797437 316070463 /nfs/dbraw/zinc/07/04/63/316070463.db2.gz FQZYARHTWIBAPX-QFBILLFUSA-N 2 0 343.446 3.092 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000563880393 316084489 /nfs/dbraw/zinc/08/44/89/316084489.db2.gz HTTPQWMSSAKIID-AWEZNQCLSA-N 2 0 335.455 3.100 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000564211644 316124455 /nfs/dbraw/zinc/12/44/55/316124455.db2.gz VBDROZPWDWCQEK-HNAYVOBHSA-N 2 0 333.545 3.011 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000564779328 316203923 /nfs/dbraw/zinc/20/39/23/316203923.db2.gz OJBHJXADYVOXJO-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000564829316 316213587 /nfs/dbraw/zinc/21/35/87/316213587.db2.gz SCZHHKUSBGQOOF-QRQLOZEOSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226302 316294607 /nfs/dbraw/zinc/29/46/07/316294607.db2.gz JEURKYDMRYMZFD-RTXFEEFZSA-N 2 0 329.257 3.379 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000565476327 316329119 /nfs/dbraw/zinc/32/91/19/316329119.db2.gz IGPDJVMKJNTAER-CZUORRHYSA-N 2 0 346.437 3.175 20 0 EGADRP c1[nH]c2nccnc2c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000565709711 316359976 /nfs/dbraw/zinc/35/99/76/316359976.db2.gz MMLFGJTWGLKIAX-UHFFFAOYSA-N 2 0 335.455 3.185 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000565886142 316383499 /nfs/dbraw/zinc/38/34/99/316383499.db2.gz IBZXZRBQXIGARF-LJIGWXMPSA-N 2 0 349.906 3.343 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000566226420 316438939 /nfs/dbraw/zinc/43/89/39/316438939.db2.gz GGZHCPZMOSEYAZ-SJORKVTESA-N 2 0 346.519 3.208 20 0 EGADRP CC1CCC(O)(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000569351131 316901396 /nfs/dbraw/zinc/90/13/96/316901396.db2.gz OLMDXEJLPRMACG-UHFFFAOYSA-N 2 0 334.504 3.048 20 0 EGADRP CCc1nc2ccccc2n1Cc1noc(CN2[C@H](C)CC[C@H]2C)n1 ZINC000570123577 317010898 /nfs/dbraw/zinc/01/08/98/317010898.db2.gz SXIJGPIYWYQFCZ-ZIAGYGMSSA-N 2 0 339.443 3.403 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000570475294 317061396 /nfs/dbraw/zinc/06/13/96/317061396.db2.gz DCXQUUOFIIRGBV-UIBIWLFHSA-N 2 0 349.494 3.184 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000571501452 317208083 /nfs/dbraw/zinc/20/80/83/317208083.db2.gz CMVYNNIJWRZSGV-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000572304153 317319113 /nfs/dbraw/zinc/31/91/13/317319113.db2.gz GZBVOPKHSFIMKB-CALCHBBNSA-N 2 0 340.515 3.496 20 0 EGADRP CCCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000572324778 317321014 /nfs/dbraw/zinc/32/10/14/317321014.db2.gz HVMAFRATRMOETH-ZWKOTPCHSA-N 2 0 332.488 3.400 20 0 EGADRP CCCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000572324777 317321357 /nfs/dbraw/zinc/32/13/57/317321357.db2.gz HVMAFRATRMOETH-ROUUACIJSA-N 2 0 332.488 3.400 20 0 EGADRP C[C@H]1C[C@H](N(C)Cc2ncccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000572407680 317334211 /nfs/dbraw/zinc/33/42/11/317334211.db2.gz DBLBYHNPEAFOHT-FUHWJXTLSA-N 2 0 325.456 3.272 20 0 EGADRP C[C@@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000572782636 317391344 /nfs/dbraw/zinc/39/13/44/317391344.db2.gz YYYBSUZIIUCROE-IBGZPJMESA-N 2 0 329.532 3.361 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000572947794 317414739 /nfs/dbraw/zinc/41/47/39/317414739.db2.gz HNFPRAVCEYHGIT-UHFFFAOYSA-N 2 0 344.430 3.164 20 0 EGADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171248789 323226255 /nfs/dbraw/zinc/22/62/55/323226255.db2.gz TZJKIHZOMQUVMB-KSZLIROESA-N 2 0 343.515 3.160 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000171948944 323263926 /nfs/dbraw/zinc/26/39/26/323263926.db2.gz YWWCTTCULBTNCV-MRXNPFEDSA-N 2 0 349.544 3.152 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000382829133 324253500 /nfs/dbraw/zinc/25/35/00/324253500.db2.gz GYIVQRVSQGCKEW-YJBOKZPZSA-N 2 0 347.503 3.141 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(I)cc1)C[NH+](C)C ZINC000383753535 324257480 /nfs/dbraw/zinc/25/74/80/324257480.db2.gz CNLHPHQKFGTENX-NEPJUHHUSA-N 2 0 346.256 3.140 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385799536 324263892 /nfs/dbraw/zinc/26/38/92/324263892.db2.gz DZCDFZUBHWQKLI-LPHOPBHVSA-N 2 0 338.451 3.416 20 0 EGADRP CN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000386866197 324269784 /nfs/dbraw/zinc/26/97/84/324269784.db2.gz VFRSSWBEZRQLOY-UYAOXDASSA-N 2 0 343.515 3.017 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495122365 324376902 /nfs/dbraw/zinc/37/69/02/324376902.db2.gz KCKYNUAQRMAHKT-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+](C)CCCCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000577684954 324846584 /nfs/dbraw/zinc/84/65/84/324846584.db2.gz LSGFKGMPOJOAIC-UHFFFAOYSA-N 2 0 347.503 3.222 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc2cccnc12 ZINC000579087875 325060333 /nfs/dbraw/zinc/06/03/33/325060333.db2.gz DGWVPJXIMNDFRN-PMACEKPBSA-N 2 0 339.483 3.262 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000579255110 325085983 /nfs/dbraw/zinc/08/59/83/325085983.db2.gz NRSQXPRTLDCBEJ-UXHICEINSA-N 2 0 346.515 3.072 20 0 EGADRP CC(C)n1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000580118391 325205512 /nfs/dbraw/zinc/20/55/12/325205512.db2.gz DZKWDAWGRNQUAA-MJGOQNOKSA-N 2 0 341.503 3.249 20 0 EGADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000580181540 325214510 /nfs/dbraw/zinc/21/45/10/325214510.db2.gz LXTGVJULUJUXFW-TUNNFDKTSA-N 2 0 349.478 3.492 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000580288984 325229263 /nfs/dbraw/zinc/22/92/63/325229263.db2.gz JDMFOSXTBANLIC-STQMWFEESA-N 2 0 326.282 3.227 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000580548284 325265839 /nfs/dbraw/zinc/26/58/39/325265839.db2.gz MOOVHWJQWNCCMK-LPHOPBHVSA-N 2 0 345.531 3.352 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2COc3c(C)cccc3C2)[C@H](C)C1 ZINC000580606422 325272049 /nfs/dbraw/zinc/27/20/49/325272049.db2.gz ZWNPRCOKKSJFTI-RLLQIKCJSA-N 2 0 346.515 3.025 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000581009652 325320815 /nfs/dbraw/zinc/32/08/15/325320815.db2.gz ZIFHSOHLJDQEIC-LPHOPBHVSA-N 2 0 331.504 3.051 20 0 EGADRP Cc1cccc(CC[C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000581511963 325367276 /nfs/dbraw/zinc/36/72/76/325367276.db2.gz JUJHXMGSZAWVJI-SFHVURJKSA-N 2 0 341.499 3.441 20 0 EGADRP [NH3+][C@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000237836707 455224036 /nfs/dbraw/zinc/22/40/36/455224036.db2.gz IRHZVOSRULWGDA-HXUWFJFHSA-N 2 0 343.515 3.191 20 0 EGADRP [NH3+][C@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237856822 455225786 /nfs/dbraw/zinc/22/57/86/455225786.db2.gz TUQDXSFOTAHAAS-WOJBJXKFSA-N 2 0 337.467 3.030 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000157856107 455240899 /nfs/dbraw/zinc/24/08/99/455240899.db2.gz GYFDQLZLZJFGDJ-HNNXBMFYSA-N 2 0 335.458 3.257 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000238061916 455250118 /nfs/dbraw/zinc/25/01/18/455250118.db2.gz TZILKRVBMQNEJI-GOSISDBHSA-N 2 0 327.472 3.001 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000264693350 455264580 /nfs/dbraw/zinc/26/45/80/455264580.db2.gz FHZPOFIFUXTXBO-ROUUACIJSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158469146 455305836 /nfs/dbraw/zinc/30/58/36/455305836.db2.gz NWLDVEUJRRSYCT-RTBURBONSA-N 2 0 330.520 3.138 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000605442825 460582325 /nfs/dbraw/zinc/58/23/25/460582325.db2.gz STYLCMSUDHGEFQ-FQEVSTJZSA-N 2 0 345.531 3.498 20 0 EGADRP COc1cc2c(cc1C[NH2+]Cc1cccc(C[NH+](C)C)c1)O[C@@H](C)C2 ZINC000027219542 453812946 /nfs/dbraw/zinc/81/29/46/453812946.db2.gz BZQSXINFQOMRRO-HNNXBMFYSA-N 2 0 340.467 3.370 20 0 EGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000066531353 453850736 /nfs/dbraw/zinc/85/07/36/453850736.db2.gz KUSISZKUZLSZIO-HDICACEKSA-N 2 0 343.515 3.162 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000066960587 453890392 /nfs/dbraw/zinc/89/03/92/453890392.db2.gz UXMODMFGTPTGCB-KRWDZBQOSA-N 2 0 331.504 3.458 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@H+](CC)C(C)C ZINC000067420310 453929927 /nfs/dbraw/zinc/92/99/27/453929927.db2.gz MWUPLHVGMCLNDQ-UHFFFAOYSA-N 2 0 348.535 3.010 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000067421324 453930297 /nfs/dbraw/zinc/93/02/97/453930297.db2.gz DVEDEMQSZOUHIJ-QGZVFWFLSA-N 2 0 348.535 3.010 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000042314346 454005955 /nfs/dbraw/zinc/00/59/55/454005955.db2.gz QZLRRKKILRDWNV-UHFFFAOYSA-N 2 0 341.293 3.292 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627787 454170349 /nfs/dbraw/zinc/17/03/49/454170349.db2.gz SFDDCBIWOOHROP-SOLBZPMBSA-N 2 0 327.472 3.322 20 0 EGADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028602 454265018 /nfs/dbraw/zinc/26/50/18/454265018.db2.gz JFLGAXQMSZEFQD-IAGOWNOFSA-N 2 0 331.504 3.036 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[N@H+](C)C(C)C)ccc21 ZINC000060270920 454275555 /nfs/dbraw/zinc/27/55/55/454275555.db2.gz SKNHODZLHPDUJM-UHFFFAOYSA-N 2 0 344.503 3.262 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000132409582 454335071 /nfs/dbraw/zinc/33/50/71/454335071.db2.gz QXNCQEAQBKSRIK-ORYQWCPZSA-N 2 0 347.522 3.311 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078965871 454345966 /nfs/dbraw/zinc/34/59/66/454345966.db2.gz NQLCVGCKIMWVNJ-INIZCTEOSA-N 2 0 339.524 3.240 20 0 EGADRP OCCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000072925831 454363327 /nfs/dbraw/zinc/36/33/27/454363327.db2.gz VQLMAYGTRXIIFY-UHFFFAOYSA-N 2 0 346.515 3.194 20 0 EGADRP CC[N@@H+]1CC[C@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@H](C)C1 ZINC000132784124 454365880 /nfs/dbraw/zinc/36/58/80/454365880.db2.gz YHJJMQMTKWPOJI-NQIIRXRSSA-N 2 0 344.547 3.359 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000121021041 454379091 /nfs/dbraw/zinc/37/90/91/454379091.db2.gz ZDHQFHYBIQPNMY-TZIWHRDSSA-N 2 0 331.548 3.117 20 0 EGADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](Cc2cccnc2)CC1)CC(C)C ZINC000132941413 454379446 /nfs/dbraw/zinc/37/94/46/454379446.db2.gz PSBSOUWRGXJMHA-OAQYLSRUSA-N 2 0 346.563 3.392 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000121327644 454421220 /nfs/dbraw/zinc/42/12/20/454421220.db2.gz ODOGMRLSOIYSMD-HZPDHXFCSA-N 2 0 346.544 3.221 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000121327497 454421479 /nfs/dbraw/zinc/42/14/79/454421479.db2.gz ODOGMRLSOIYSMD-JKSUJKDBSA-N 2 0 346.544 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000063722732 454441174 /nfs/dbraw/zinc/44/11/74/454441174.db2.gz ORDMMNXGBHIRIX-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000063727988 454442277 /nfs/dbraw/zinc/44/22/77/454442277.db2.gz NMDFMGRCKCSLCM-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP CC[C@](C)(COc1ncccc1Cl)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000091686662 454457493 /nfs/dbraw/zinc/45/74/93/454457493.db2.gz PTHSUGJFUZRNPP-WMLDXEAASA-N 2 0 325.884 3.356 20 0 EGADRP C[C@H]1[C@H]([NH2+]Cc2ccc3nccnc3c2)CCN1Cc1ccccc1 ZINC000634980811 460639544 /nfs/dbraw/zinc/63/95/44/460639544.db2.gz OBIUBDQTFRACED-QFBILLFUSA-N 2 0 332.451 3.382 20 0 EGADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121985277 454501576 /nfs/dbraw/zinc/50/15/76/454501576.db2.gz CMNILIHKNKAELY-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000122791866 454569789 /nfs/dbraw/zinc/56/97/89/454569789.db2.gz KEVMTEGYVPVBIM-CVEARBPZSA-N 2 0 339.524 3.285 20 0 EGADRP CCc1ncc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587008 454590712 /nfs/dbraw/zinc/59/07/12/454590712.db2.gz ZLNCVMUQVKCMNC-GASCZTMLSA-N 2 0 337.533 3.027 20 0 EGADRP CC[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000123132194 454605833 /nfs/dbraw/zinc/60/58/33/454605833.db2.gz PUGNHVATRVPTJK-ICSRJNTNSA-N 2 0 338.499 3.224 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000105476914 454641277 /nfs/dbraw/zinc/64/12/77/454641277.db2.gz CZWVVDGNIGYDLE-UHFFFAOYSA-N 2 0 330.303 3.111 20 0 EGADRP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123620508 454658692 /nfs/dbraw/zinc/65/86/92/454658692.db2.gz KDBKLOHDRDADBM-SFHVURJKSA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000052209104 454662287 /nfs/dbraw/zinc/66/22/87/454662287.db2.gz AWLKVBGFAAUYIX-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000635004359 460648175 /nfs/dbraw/zinc/64/81/75/460648175.db2.gz DTUUMRVXHPQSAN-IEBWSBKVSA-N 2 0 340.467 3.241 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000635004361 460648637 /nfs/dbraw/zinc/64/86/37/460648637.db2.gz DTUUMRVXHPQSAN-MJGOQNOKSA-N 2 0 340.467 3.241 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106543278 454700310 /nfs/dbraw/zinc/70/03/10/454700310.db2.gz GZSLRQBYFVMCQQ-JKSUJKDBSA-N 2 0 347.507 3.157 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161671086 454712533 /nfs/dbraw/zinc/71/25/33/454712533.db2.gz VFTHKHKFHNYOOY-CZUORRHYSA-N 2 0 327.875 3.156 20 0 EGADRP c1ccc2c(c1)SCC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635005985 460649653 /nfs/dbraw/zinc/64/96/53/460649653.db2.gz AHWLXWYQUOLEED-INIZCTEOSA-N 2 0 326.469 3.140 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161779298 454722336 /nfs/dbraw/zinc/72/23/36/454722336.db2.gz BALBNWQKLGNXFS-UHFFFAOYSA-N 2 0 332.488 3.302 20 0 EGADRP CN(CCCn1ccnc1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000124359408 454722757 /nfs/dbraw/zinc/72/27/57/454722757.db2.gz SVLZJEHXPJNFQA-UHFFFAOYSA-N 2 0 331.807 3.109 20 0 EGADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000635009064 460651827 /nfs/dbraw/zinc/65/18/27/460651827.db2.gz LVDFWHJTTBEISG-NSHDSACASA-N 2 0 336.361 3.082 20 0 EGADRP CCc1cc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124869059 454777612 /nfs/dbraw/zinc/77/76/12/454777612.db2.gz WHMYHYGEYNBKHM-GOSISDBHSA-N 2 0 338.499 3.013 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(OCC[NH+](C)C)c1 ZINC000124909460 454781509 /nfs/dbraw/zinc/78/15/09/454781509.db2.gz HPMRWTFYHLJKHV-YGWPLHOASA-N 2 0 332.488 3.235 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000162570601 454785241 /nfs/dbraw/zinc/78/52/41/454785241.db2.gz CREFBAWIDXUSGV-CQSZACIVSA-N 2 0 343.487 3.289 20 0 EGADRP CCOC[C@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000124967886 454786514 /nfs/dbraw/zinc/78/65/14/454786514.db2.gz WEHUEJXMPYNUOE-PMACEKPBSA-N 2 0 340.552 3.120 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031477 454818624 /nfs/dbraw/zinc/81/86/24/454818624.db2.gz GKOABNYTRJIBHR-QZTJIDSGSA-N 2 0 339.593 3.058 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000266861963 455465044 /nfs/dbraw/zinc/46/50/44/455465044.db2.gz VAMXGHYYKVMANW-QZTJIDSGSA-N 2 0 333.520 3.134 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000177430028 454863554 /nfs/dbraw/zinc/86/35/54/454863554.db2.gz ZJWNCFWLHYKYQG-ZACQAIPSSA-N 2 0 335.536 3.161 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000182241040 455469755 /nfs/dbraw/zinc/46/97/55/455469755.db2.gz XYYMWVKEFTZBSU-IRLDBZIGSA-N 2 0 336.479 3.420 20 0 EGADRP Cc1c([C@H](C)NC[C@H](C)C[NH+]2CCCC2)nnn1-c1ccc(F)cc1 ZINC000165309853 454898152 /nfs/dbraw/zinc/89/81/52/454898152.db2.gz RIPLJFWZMYRCKA-GJZGRUSLSA-N 2 0 345.466 3.097 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165884425 454905416 /nfs/dbraw/zinc/90/54/16/454905416.db2.gz YRLORWGMBOFHCI-UZLBHIALSA-N 2 0 345.531 3.441 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1Cl ZINC000150962108 454918593 /nfs/dbraw/zinc/91/85/93/454918593.db2.gz DZMKCYQYRFNMHM-ZDUSSCGKSA-N 2 0 327.875 3.156 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1OC ZINC000169789050 454931083 /nfs/dbraw/zinc/93/10/83/454931083.db2.gz QYFDUVCJFXYRFM-AWEZNQCLSA-N 2 0 338.879 3.179 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000127513609 454972494 /nfs/dbraw/zinc/97/24/94/454972494.db2.gz ZBCBIOVYHXALLH-GHMZBOCLSA-N 2 0 336.332 3.341 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000127513294 454972530 /nfs/dbraw/zinc/97/25/30/454972530.db2.gz ZBCBIOVYHXALLH-WDEREUQCSA-N 2 0 336.332 3.341 20 0 EGADRP COCCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178758844 454973665 /nfs/dbraw/zinc/97/36/65/454973665.db2.gz PCWPYHLTZBFVMF-JKSUJKDBSA-N 2 0 337.483 3.043 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)N1CC[NH+](C)CC1 ZINC000127765982 454995430 /nfs/dbraw/zinc/99/54/30/454995430.db2.gz JDGZVMWZMGZHOO-CVEARBPZSA-N 2 0 344.528 3.097 20 0 EGADRP CC[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCC1 ZINC000151657571 455013870 /nfs/dbraw/zinc/01/38/70/455013870.db2.gz SUAMFNPAGWLJDM-PKOBYXMFSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)CSCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000151662213 455014288 /nfs/dbraw/zinc/01/42/88/455014288.db2.gz ODEWKNRMZXBTNG-KDURUIRLSA-N 2 0 341.609 3.256 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000155791976 455046161 /nfs/dbraw/zinc/04/61/61/455046161.db2.gz PIMPCIOVPBPXBK-ROUUACIJSA-N 2 0 345.531 3.236 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128340802 455047023 /nfs/dbraw/zinc/04/70/23/455047023.db2.gz KYGXEZZPRDOJHJ-QGZVFWFLSA-N 2 0 335.561 3.477 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000600965636 460659049 /nfs/dbraw/zinc/65/90/49/460659049.db2.gz RCKPOLTZXJZZRV-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[NH+](CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156255393 455098010 /nfs/dbraw/zinc/09/80/10/455098010.db2.gz CFBNTYZHCZJEJR-ICSRJNTNSA-N 2 0 332.536 3.000 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc2nccn21)c1ccccc1 ZINC000179956188 455105826 /nfs/dbraw/zinc/10/58/26/455105826.db2.gz MTHOOTDHHUQYBX-SFHVURJKSA-N 2 0 348.450 3.119 20 0 EGADRP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000119016794 455120437 /nfs/dbraw/zinc/12/04/37/455120437.db2.gz RJSMPARLDZKLLU-FQEVSTJZSA-N 2 0 343.559 3.404 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000119192690 455130843 /nfs/dbraw/zinc/13/08/43/455130843.db2.gz KZHNXLABBJEGKI-GGPKGHCWSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H]1CCC[N@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000156678955 455144239 /nfs/dbraw/zinc/14/42/39/455144239.db2.gz OVXJRCWOSHHAQI-GOSISDBHSA-N 2 0 347.522 3.154 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623657082 460665042 /nfs/dbraw/zinc/66/50/42/460665042.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 2 0 329.532 3.361 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000237270065 455166841 /nfs/dbraw/zinc/16/68/41/455166841.db2.gz YKKCLJWIWROTEV-LJQANCHMSA-N 2 0 337.467 3.257 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805867 455168332 /nfs/dbraw/zinc/16/83/32/455168332.db2.gz ZMCGOAOGXBRJNE-GJYPPUQNSA-N 2 0 333.545 3.376 20 0 EGADRP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000237335120 455173986 /nfs/dbraw/zinc/17/39/86/455173986.db2.gz GZBIMRYSGYSOHQ-IBGZPJMESA-N 2 0 329.532 3.015 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000237351790 455176631 /nfs/dbraw/zinc/17/66/31/455176631.db2.gz JYRJVBIANFRTNV-CQSZACIVSA-N 2 0 327.428 3.365 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)cc1 ZINC000180486010 455180317 /nfs/dbraw/zinc/18/03/17/455180317.db2.gz PAGAZVMAIMJXRU-QFIPXVFZSA-N 2 0 338.495 3.378 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237584898 455196692 /nfs/dbraw/zinc/19/66/92/455196692.db2.gz CENOIXQGBWWDSP-IEBWSBKVSA-N 2 0 343.515 3.160 20 0 EGADRP C[N@H+](Cc1cccc2[nH]ccc21)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310937 455295836 /nfs/dbraw/zinc/29/58/36/455295836.db2.gz RJZUEWVRBZGYPY-QFIPXVFZSA-N 2 0 349.478 3.237 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442762 455301470 /nfs/dbraw/zinc/30/14/70/455301470.db2.gz IHMYMNLVRZOFNM-CABCVRRESA-N 2 0 337.895 3.249 20 0 EGADRP COC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000245607067 455340233 /nfs/dbraw/zinc/34/02/33/455340233.db2.gz AJUOTKDDSJZCLO-LPHOPBHVSA-N 2 0 346.446 3.061 20 0 EGADRP COc1cc2c(c(CN3CC[C@@H](C[NH+]4CCCCC4)C3)c1)O[C@H](C)C2 ZINC000245716246 455362488 /nfs/dbraw/zinc/36/24/88/455362488.db2.gz HACVIDPSUYUPKS-SJORKVTESA-N 2 0 344.499 3.326 20 0 EGADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246015946 455414687 /nfs/dbraw/zinc/41/46/87/455414687.db2.gz LRWVADXGZRXOJC-ZWKOTPCHSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000246821041 455527686 /nfs/dbraw/zinc/52/76/86/455527686.db2.gz BEFKQCSGVJLJBE-HKUYNNGSSA-N 2 0 327.472 3.309 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)OC(C)(C)C ZINC000267298722 455534359 /nfs/dbraw/zinc/53/43/59/455534359.db2.gz UCEMQCFKWCDPRO-AEFFLSMTSA-N 2 0 347.503 3.011 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC000185292319 455534696 /nfs/dbraw/zinc/53/46/96/455534696.db2.gz GLVSQFUWKGBNHF-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000247042162 455550134 /nfs/dbraw/zinc/55/01/34/455550134.db2.gz MUAJAQQQITXQFU-DOMZBBRYSA-N 2 0 339.277 3.347 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000247188595 455571223 /nfs/dbraw/zinc/57/12/23/455571223.db2.gz ZUAGGKGEYDPUKJ-SFTDATJTSA-N 2 0 329.532 3.015 20 0 EGADRP CC[N@@H+]1CC[C@H](NCc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000247214513 455574221 /nfs/dbraw/zinc/57/42/21/455574221.db2.gz WAFWHEJAUVMQLN-WFASDCNBSA-N 2 0 328.403 3.117 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000182759475 455582418 /nfs/dbraw/zinc/58/24/18/455582418.db2.gz KXYAJGFZJSNXAN-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000182788460 455586897 /nfs/dbraw/zinc/58/68/97/455586897.db2.gz HADNVOFMFLSHRH-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000292206725 455596405 /nfs/dbraw/zinc/59/64/05/455596405.db2.gz YOBDRYRIGOYLLC-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688011 455597308 /nfs/dbraw/zinc/59/73/08/455597308.db2.gz UYQSOCBRYBRFAF-HFSMHLIXSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]CCCCCOc2ccccc2)CCCO1 ZINC000277572591 455602382 /nfs/dbraw/zinc/60/23/82/455602382.db2.gz SRVIOQBFBUIKIQ-IBGZPJMESA-N 2 0 334.504 3.326 20 0 EGADRP COc1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185761059 455617105 /nfs/dbraw/zinc/61/71/05/455617105.db2.gz ZLKZPYWAIWBSHR-DLBZAZTESA-N 2 0 332.488 3.317 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000185872972 455639699 /nfs/dbraw/zinc/63/96/99/455639699.db2.gz NLXQXDQGHPIRJA-MRXNPFEDSA-N 2 0 345.462 3.201 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185890510 455644334 /nfs/dbraw/zinc/64/43/34/455644334.db2.gz VJRIBYPAHULKKG-UHFFFAOYSA-N 2 0 349.485 3.361 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000284244505 455656550 /nfs/dbraw/zinc/65/65/50/455656550.db2.gz VHBPZGHDSSLKHS-SFTDATJTSA-N 2 0 340.515 3.062 20 0 EGADRP CCCC(O)(CCC)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247951613 455658767 /nfs/dbraw/zinc/65/87/67/455658767.db2.gz FBKFMNDMAWWWCO-MJGOQNOKSA-N 2 0 333.520 3.213 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc2c(c1)CCC2 ZINC000271522272 455670143 /nfs/dbraw/zinc/67/01/43/455670143.db2.gz PORSUSBZDJLNKE-RVHYNSKXSA-N 2 0 328.500 3.204 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000192755142 455686858 /nfs/dbraw/zinc/68/68/58/455686858.db2.gz RADKITFMTZYELC-UHFFFAOYSA-N 2 0 335.458 3.067 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178128 455694868 /nfs/dbraw/zinc/69/48/68/455694868.db2.gz VZPPTTSJSYNWJH-MAUKXSAKSA-N 2 0 329.419 3.397 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000616991598 460689573 /nfs/dbraw/zinc/68/95/73/460689573.db2.gz BSGRQEFIMHSRIX-SFHVURJKSA-N 2 0 343.515 3.133 20 0 EGADRP c1cn(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)cn1 ZINC000192924213 455719922 /nfs/dbraw/zinc/71/99/22/455719922.db2.gz QYYMUHKADKVNMH-OAQYLSRUSA-N 2 0 346.478 3.484 20 0 EGADRP c1ccc(CC[NH+]2CCC(NC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000268895910 455721515 /nfs/dbraw/zinc/72/15/15/455721515.db2.gz VNJBUIRVXHQAKR-UHFFFAOYSA-N 2 0 341.543 3.158 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186243088 455724412 /nfs/dbraw/zinc/72/44/12/455724412.db2.gz PZJWCASJMFAQOM-INIZCTEOSA-N 2 0 338.565 3.335 20 0 EGADRP C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292744334 455745450 /nfs/dbraw/zinc/74/54/50/455745450.db2.gz QUKJJWLQQRMPGY-YJBOKZPZSA-N 2 0 348.441 3.148 20 0 EGADRP C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292744325 455745753 /nfs/dbraw/zinc/74/57/53/455745753.db2.gz QUKJJWLQQRMPGY-MAUKXSAKSA-N 2 0 348.441 3.148 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)N2CCCc3ccccc32)CC1 ZINC000284927295 455763127 /nfs/dbraw/zinc/76/31/27/455763127.db2.gz ICGSALRJTCUHBK-UHFFFAOYSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024950 455766181 /nfs/dbraw/zinc/76/61/81/455766181.db2.gz REBKNTLXHLPZRR-IGGJEDBVSA-N 2 0 327.516 3.112 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000269037411 455771598 /nfs/dbraw/zinc/77/15/98/455771598.db2.gz FSNAXBDXKXJAIQ-HZPDHXFCSA-N 2 0 338.492 3.020 20 0 EGADRP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249748145 455773133 /nfs/dbraw/zinc/77/31/33/455773133.db2.gz FIKNLFDROBTZPV-QZTJIDSGSA-N 2 0 345.531 3.169 20 0 EGADRP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249776596 455775927 /nfs/dbraw/zinc/77/59/27/455775927.db2.gz XBTIUVFGVWBVSS-QZTJIDSGSA-N 2 0 345.531 3.408 20 0 EGADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000285048462 455783063 /nfs/dbraw/zinc/78/30/63/455783063.db2.gz IKBNYCBTORCQOK-IVMQYODDSA-N 2 0 345.531 3.322 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCO[C@@H](C)C3)CC2)c1 ZINC000271845903 455785132 /nfs/dbraw/zinc/78/51/32/455785132.db2.gz LQJAUHSFHIXWMW-VQTJNVASSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000194018481 455793233 /nfs/dbraw/zinc/79/32/33/455793233.db2.gz BKDSTCHPAKNSSV-OKZBNKHCSA-N 2 0 345.531 3.311 20 0 EGADRP CCc1nc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cs1 ZINC000269139599 455797392 /nfs/dbraw/zinc/79/73/92/455797392.db2.gz LLZBYSUDKDDGCV-UHFFFAOYSA-N 2 0 345.516 3.243 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000269248883 455821286 /nfs/dbraw/zinc/82/12/86/455821286.db2.gz NZRSSLGUFMUCBG-ROUUACIJSA-N 2 0 329.488 3.171 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000269300301 455830687 /nfs/dbraw/zinc/83/06/87/455830687.db2.gz XJKLHHISMCDCLR-APWZRJJASA-N 2 0 331.504 3.118 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000186875649 455846210 /nfs/dbraw/zinc/84/62/10/455846210.db2.gz GAYHQLPOQVPIQG-QMMLZNLJSA-N 2 0 329.532 3.217 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000285484533 455856242 /nfs/dbraw/zinc/85/62/42/455856242.db2.gz OWKAGYWXMJDKRR-CALCHBBNSA-N 2 0 340.515 3.496 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2nccn2C)cc1 ZINC000620595163 460698785 /nfs/dbraw/zinc/69/87/85/460698785.db2.gz JGJNCPAUECLIHC-OAHLLOKOSA-N 2 0 328.460 3.143 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)[NH+]1CCCCC1 ZINC000280071325 455884921 /nfs/dbraw/zinc/88/49/21/455884921.db2.gz ZDUZGNMBTXBIJY-HNNXBMFYSA-N 2 0 347.894 3.275 20 0 EGADRP CCn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000285716266 455903037 /nfs/dbraw/zinc/90/30/37/455903037.db2.gz PXJNLASXJIAERW-PWRODBHTSA-N 2 0 338.499 3.293 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC(F)F ZINC000261600210 455909720 /nfs/dbraw/zinc/90/97/20/455909720.db2.gz AZXGMHXUSDCFTN-RRFJBIMHSA-N 2 0 340.414 3.246 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Br)c4cccnc34)C[C@H]12 ZINC000261612657 455913327 /nfs/dbraw/zinc/91/33/27/455913327.db2.gz FEAGHVSYXSZCDQ-DIOULYMOSA-N 2 0 346.272 3.166 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272332338 455916826 /nfs/dbraw/zinc/91/68/26/455916826.db2.gz NEORSPMJMRHIHI-TXPKVOOTSA-N 2 0 326.488 3.290 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000296365935 455919878 /nfs/dbraw/zinc/91/98/78/455919878.db2.gz IZTUJEVZTKWXLK-OUQUZMNPSA-N 2 0 342.483 3.383 20 0 EGADRP c1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000261728997 455937335 /nfs/dbraw/zinc/93/73/35/455937335.db2.gz RNQZSCPWDAYBMS-NCYKPQTJSA-N 2 0 327.516 3.334 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187750453 455947394 /nfs/dbraw/zinc/94/73/94/455947394.db2.gz SQNLOAKZNGZMCG-SFTDATJTSA-N 2 0 329.532 3.112 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187756440 455949246 /nfs/dbraw/zinc/94/92/46/455949246.db2.gz FDDVVAIZSRKZII-JJTUDDRGSA-N 2 0 339.524 3.093 20 0 EGADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000261829645 455956178 /nfs/dbraw/zinc/95/61/78/455956178.db2.gz PXDKGRYIVLMELD-OAQYLSRUSA-N 2 0 347.466 3.105 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCc3cccc(F)c3)CC2)CC1 ZINC000272455955 455956458 /nfs/dbraw/zinc/95/64/58/455956458.db2.gz JZRBYHCQFYWARF-UHFFFAOYSA-N 2 0 347.522 3.249 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CC[C@H]3CC[NH2+]C3)c2C1 ZINC000261853614 455958973 /nfs/dbraw/zinc/95/89/73/455958973.db2.gz OYIHRINDEBMJOH-INIZCTEOSA-N 2 0 329.488 3.377 20 0 EGADRP CCOc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000261882622 455964655 /nfs/dbraw/zinc/96/46/55/455964655.db2.gz MSKOBOQDZAVITA-CQSZACIVSA-N 2 0 328.403 3.261 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000272489915 455969417 /nfs/dbraw/zinc/96/94/17/455969417.db2.gz CBIJWGZETUXFEN-UHFFFAOYSA-N 2 0 347.522 3.154 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CNCc2cc(F)ncc2F)cc1 ZINC000296558106 455973551 /nfs/dbraw/zinc/97/35/51/455973551.db2.gz VAOBEHVUAWNQNW-UHFFFAOYSA-N 2 0 349.425 3.370 20 0 EGADRP CCN(CC)C(=O)CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272526276 455982264 /nfs/dbraw/zinc/98/22/64/455982264.db2.gz AKGXMQOMCWLMGZ-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000261996063 455982630 /nfs/dbraw/zinc/98/26/30/455982630.db2.gz NUJQUKDCVKMBEF-UHFFFAOYSA-N 2 0 346.393 3.286 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000261998822 455983536 /nfs/dbraw/zinc/98/35/36/455983536.db2.gz OWCDCVIMHBJYMA-CQSZACIVSA-N 2 0 335.517 3.057 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000188118688 456001812 /nfs/dbraw/zinc/00/18/12/456001812.db2.gz MXNGXGJUTZEKOU-DZGCQCFKSA-N 2 0 337.305 3.454 20 0 EGADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000286263281 456012137 /nfs/dbraw/zinc/01/21/37/456012137.db2.gz VBNLVHWNIJGSBZ-VAMGGRTRSA-N 2 0 328.500 3.303 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272657436 456028796 /nfs/dbraw/zinc/02/87/96/456028796.db2.gz LZJTYXRPFUMVBX-QXAKKESOSA-N 2 0 328.456 3.122 20 0 EGADRP O=C(CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1c(Cl)cccc1Cl ZINC000262383647 456030744 /nfs/dbraw/zinc/03/07/44/456030744.db2.gz YYOVIFZIRPNBDR-NEPJUHHUSA-N 2 0 342.270 3.148 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262681430 456052596 /nfs/dbraw/zinc/05/25/96/456052596.db2.gz XJMWPKODDFNDIW-SXLOBPIMSA-N 2 0 345.531 3.195 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000270899165 456062640 /nfs/dbraw/zinc/06/26/40/456062640.db2.gz MIPMWVOWXNBTPP-UHFFFAOYSA-N 2 0 335.923 3.330 20 0 EGADRP C[NH+](C)CCCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000270939726 456072058 /nfs/dbraw/zinc/07/20/58/456072058.db2.gz JDYSRRXBXPTQMH-UHFFFAOYSA-N 2 0 337.533 3.004 20 0 EGADRP Cc1nc2ccccc2n1C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000271004667 456094044 /nfs/dbraw/zinc/09/40/44/456094044.db2.gz KWLJSHVKVJASGN-QZTJIDSGSA-N 2 0 326.488 3.293 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000227330480 456113547 /nfs/dbraw/zinc/11/35/47/456113547.db2.gz RQVDVOUZXUBSLW-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263258855 456116415 /nfs/dbraw/zinc/11/64/15/456116415.db2.gz QSWBEJZHGXWGRS-QUCCMNQESA-N 2 0 331.504 3.051 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000272960537 456125827 /nfs/dbraw/zinc/12/58/27/456125827.db2.gz FTROEQPJYGHRTM-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000273024471 456148882 /nfs/dbraw/zinc/14/88/82/456148882.db2.gz XGNVHYSSAVGFOS-DYESRHJHSA-N 2 0 340.442 3.169 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236698427 456171329 /nfs/dbraw/zinc/17/13/29/456171329.db2.gz XLDKHGGXDBZSMS-HOTGVXAUSA-N 2 0 337.533 3.011 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(OC)ccc1OCOC ZINC000271236684 456186457 /nfs/dbraw/zinc/18/64/57/456186457.db2.gz SJGBJBCCQIHRSM-INIZCTEOSA-N 2 0 338.492 3.278 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000236888949 456197335 /nfs/dbraw/zinc/19/73/35/456197335.db2.gz AEIYQVNWPMRGTK-FCEWJHQRSA-N 2 0 331.504 3.051 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1)C(C)C ZINC000236923808 456202712 /nfs/dbraw/zinc/20/27/12/456202712.db2.gz MEAHRCJNMSQVIM-HXUWFJFHSA-N 2 0 333.520 3.410 20 0 EGADRP CCc1cc(N2CC[NH+](CCOC(C)C)CC2)c2ccccc2[nH+]1 ZINC000301779401 456212242 /nfs/dbraw/zinc/21/22/42/456212242.db2.gz IEWOEOBNBUCWHS-UHFFFAOYSA-N 2 0 327.472 3.344 20 0 EGADRP CCOc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc(Cl)c1O ZINC000297555342 456250823 /nfs/dbraw/zinc/25/08/23/456250823.db2.gz BVDVGKKSMDRNLU-AWEZNQCLSA-N 2 0 338.879 3.362 20 0 EGADRP Cn1c(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc2ccccc21 ZINC000297621760 456265851 /nfs/dbraw/zinc/26/58/51/456265851.db2.gz LHKRRJQGVVNQGZ-UHFFFAOYSA-N 2 0 349.482 3.160 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000281599530 456273900 /nfs/dbraw/zinc/27/39/00/456273900.db2.gz DDJJGPFDNGTRJY-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275657549 456278988 /nfs/dbraw/zinc/27/89/88/456278988.db2.gz FPTFQMLYIXZONM-HLAWJBBLSA-N 2 0 329.532 3.112 20 0 EGADRP Cc1cc(CN2CCN(c3c(C)c(C)[nH+]c4ccccc43)CC2)no1 ZINC000302075707 456280936 /nfs/dbraw/zinc/28/09/36/456280936.db2.gz IYBZKEYSJYOXKD-UHFFFAOYSA-N 2 0 336.439 3.470 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3csc(-c4ccccn4)n3)C2)CC1 ZINC000290328817 456294422 /nfs/dbraw/zinc/29/44/22/456294422.db2.gz DOLWUIDXZNIUPS-MRXNPFEDSA-N 2 0 342.512 3.369 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000290339900 456297364 /nfs/dbraw/zinc/29/73/64/456297364.db2.gz FICBKLYALTZSOG-GOSISDBHSA-N 2 0 332.488 3.258 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000340199709 456309702 /nfs/dbraw/zinc/30/97/02/456309702.db2.gz RMDYIMZMKUXTLS-LJQANCHMSA-N 2 0 342.531 3.426 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000297897948 456319998 /nfs/dbraw/zinc/31/99/98/456319998.db2.gz VZQOUJOVLBCDIY-HXUWFJFHSA-N 2 0 344.503 3.028 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000275808121 456320407 /nfs/dbraw/zinc/32/04/07/456320407.db2.gz IHVLGAACUKRNOJ-IBGZPJMESA-N 2 0 329.488 3.136 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@]1(C)CCCO1 ZINC000340240016 456334219 /nfs/dbraw/zinc/33/42/19/456334219.db2.gz QBWQKOBSPPQIMD-YLJYHZDGSA-N 2 0 332.488 3.208 20 0 EGADRP Cc1cc[nH+]c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000347735734 456338846 /nfs/dbraw/zinc/33/88/46/456338846.db2.gz IFOKFVJBXUYTTD-UHFFFAOYSA-N 2 0 339.483 3.295 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000290542211 456359338 /nfs/dbraw/zinc/35/93/38/456359338.db2.gz RHGKAJJSIQFVQH-IEBWSBKVSA-N 2 0 332.488 3.148 20 0 EGADRP CCOc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc(Cl)c1O ZINC000298215880 456394150 /nfs/dbraw/zinc/39/41/50/456394150.db2.gz ZPPRDTBQWPTXAY-UHFFFAOYSA-N 2 0 338.879 3.408 20 0 EGADRP CC(C)c1nc(NC[C@H]2CN(C3CC3)CCO2)cc(C(C)(C)C)n1 ZINC000302778462 456396650 /nfs/dbraw/zinc/39/66/50/456396650.db2.gz QAQKYPMONRHRPQ-HNNXBMFYSA-N 2 0 332.492 3.173 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000348021928 456439935 /nfs/dbraw/zinc/43/99/35/456439935.db2.gz QHTIJXCGSWDTAR-PXNSSMCTSA-N 2 0 345.531 3.156 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000303226687 456453353 /nfs/dbraw/zinc/45/33/53/456453353.db2.gz PMLGAZSREZUJPU-YLJYHZDGSA-N 2 0 334.479 3.303 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298453835 456460790 /nfs/dbraw/zinc/46/07/90/456460790.db2.gz OAWRONKTGDIUJZ-GOSISDBHSA-N 3 0 330.520 3.295 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348084839 456466212 /nfs/dbraw/zinc/46/62/12/456466212.db2.gz MEGDXOKRMWKLCW-KURKYZTESA-N 2 0 341.503 3.286 20 0 EGADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000282297215 456469572 /nfs/dbraw/zinc/46/95/72/456469572.db2.gz SLQKZYIXWBTUEF-UYAOXDASSA-N 2 0 334.504 3.312 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000303741440 456482470 /nfs/dbraw/zinc/48/24/70/456482470.db2.gz ZFYILAYJYSHYSD-IBGZPJMESA-N 2 0 330.520 3.106 20 0 EGADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(C)ccc1OC ZINC000282369760 456492625 /nfs/dbraw/zinc/49/26/25/456492625.db2.gz QFKUJPPKAWPKPI-GOSISDBHSA-N 2 0 333.520 3.070 20 0 EGADRP Fc1ccc(SCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000343268172 456496518 /nfs/dbraw/zinc/49/65/18/456496518.db2.gz LGYQEVPCUJAACQ-KSZLIROESA-N 2 0 338.492 3.055 20 0 EGADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340519227 456505386 /nfs/dbraw/zinc/50/53/86/456505386.db2.gz VIYCLXWCDZIVBC-IRXDYDNUSA-N 2 0 346.544 3.270 20 0 EGADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282423992 456508271 /nfs/dbraw/zinc/50/82/71/456508271.db2.gz SUNBHQYEBHHOAC-LJQANCHMSA-N 2 0 333.520 3.152 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000291106626 456529930 /nfs/dbraw/zinc/52/99/30/456529930.db2.gz BNDJMYONFPILGS-MRXNPFEDSA-N 2 0 344.503 3.131 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000305133347 456530481 /nfs/dbraw/zinc/53/04/81/456530481.db2.gz MPRGNPYVJIZRMV-IRXDYDNUSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H](O)c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000291107456 456531047 /nfs/dbraw/zinc/53/10/47/456531047.db2.gz KCOXTXQZELEWME-ZDUSSCGKSA-N 2 0 330.394 3.246 20 0 EGADRP CC(C)[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000353161357 456531419 /nfs/dbraw/zinc/53/14/19/456531419.db2.gz CMEUEOCCRNLTBZ-NRFANRHFSA-N 2 0 345.531 3.074 20 0 EGADRP COc1ccnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282515315 456537422 /nfs/dbraw/zinc/53/74/22/456537422.db2.gz OWKILVSGPOYTAF-HXUWFJFHSA-N 2 0 339.483 3.481 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(SC(F)F)cc2)CC1(C)C ZINC000282537907 456545125 /nfs/dbraw/zinc/54/51/25/456545125.db2.gz ZMBPMGYMIYXPFA-UHFFFAOYSA-N 2 0 343.487 3.117 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348236236 456557976 /nfs/dbraw/zinc/55/79/76/456557976.db2.gz BMMJVDQGBYTFME-AYWYSENESA-N 2 0 328.500 3.148 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291253651 456579638 /nfs/dbraw/zinc/57/96/38/456579638.db2.gz POCSOIMMJFHXCK-IBGZPJMESA-N 2 0 340.467 3.500 20 0 EGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276930389 456622900 /nfs/dbraw/zinc/62/29/00/456622900.db2.gz SELBEAUVBWSKMZ-QGZVFWFLSA-N 2 0 331.504 3.424 20 0 EGADRP Cc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(-c2cnn(C)c2)c1 ZINC000282800548 456630098 /nfs/dbraw/zinc/63/00/98/456630098.db2.gz ZIVXQVFMYCJKPT-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP c1cn(CCC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000291404960 456634852 /nfs/dbraw/zinc/63/48/52/456634852.db2.gz FQZKFWHTESBXPK-UHFFFAOYSA-N 2 0 338.499 3.261 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000343468602 456643309 /nfs/dbraw/zinc/64/33/09/456643309.db2.gz LUGCRXZQHPIJKR-AQNXPRMDSA-N 2 0 345.531 3.243 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000282850313 456644511 /nfs/dbraw/zinc/64/45/11/456644511.db2.gz BEZRUNLKPSCRAV-RBBKRZOGSA-N 2 0 343.559 3.356 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853751 456646282 /nfs/dbraw/zinc/64/62/82/456646282.db2.gz TVKCZIINEGPQMD-NQIIRXRSSA-N 2 0 338.499 3.312 20 0 EGADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000277012497 456652978 /nfs/dbraw/zinc/65/29/78/456652978.db2.gz CELICMMBLCHHBX-PLACYPQZSA-N 2 0 346.490 3.116 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000338182672 456688436 /nfs/dbraw/zinc/68/84/36/456688436.db2.gz SYYXOXYZOCUZBN-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000338187554 456692713 /nfs/dbraw/zinc/69/27/13/456692713.db2.gz MJTLHWKNHLVXMC-YLJYHZDGSA-N 2 0 345.531 3.473 20 0 EGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000353480741 456703592 /nfs/dbraw/zinc/70/35/92/456703592.db2.gz HFYOOUIIZGNZBS-UHFFFAOYSA-N 2 0 345.512 3.011 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000353490399 456710132 /nfs/dbraw/zinc/71/01/32/456710132.db2.gz KZFYDCKXVGKSEQ-BJLQDIEVSA-N 2 0 332.536 3.002 20 0 EGADRP Cc1ccc(OCc2nc(CNC[C@@H](C)C[NH+](C)C)cs2)cc1 ZINC000291677697 456717468 /nfs/dbraw/zinc/71/74/68/456717468.db2.gz HHPAZYGSLLSXIT-OAHLLOKOSA-N 2 0 333.501 3.318 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000291698237 456725263 /nfs/dbraw/zinc/72/52/63/456725263.db2.gz ANOFLJOHIDDVPI-INIZCTEOSA-N 2 0 338.455 3.357 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277269693 456753707 /nfs/dbraw/zinc/75/37/07/456753707.db2.gz MGPJLZZCMOVEKC-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000343723135 456769747 /nfs/dbraw/zinc/76/97/47/456769747.db2.gz MYTPRMHOTCTETO-DYESRHJHSA-N 2 0 327.516 3.164 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)CC[NH+](C)CC1 ZINC000353613351 456802687 /nfs/dbraw/zinc/80/26/87/456802687.db2.gz UXNVHTXHEWYSGJ-CQSZACIVSA-N 2 0 335.517 3.123 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc2cccnc21 ZINC000344189530 456804446 /nfs/dbraw/zinc/80/44/46/456804446.db2.gz XAQIJNMCDPNWSZ-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000344284927 456813211 /nfs/dbraw/zinc/81/32/11/456813211.db2.gz DCFDGECNMMXCQD-OAHLLOKOSA-N 2 0 339.252 3.427 20 0 EGADRP Cc1nccn1CCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000348755375 456843231 /nfs/dbraw/zinc/84/32/31/456843231.db2.gz GWAPYTNSEUIFER-SFHVURJKSA-N 2 0 344.528 3.287 20 0 EGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000292109343 456857242 /nfs/dbraw/zinc/85/72/42/456857242.db2.gz KBWAGRDVJOGWHH-CRAIPNDOSA-N 2 0 333.520 3.405 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751840 456889980 /nfs/dbraw/zinc/88/99/80/456889980.db2.gz KNDMXBZOGWMISN-WFASDCNBSA-N 2 0 326.282 3.149 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000353759508 456893978 /nfs/dbraw/zinc/89/39/78/456893978.db2.gz YHDMUNGEUWZARV-NRFANRHFSA-N 2 0 343.515 3.289 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000358863527 457010728 /nfs/dbraw/zinc/01/07/28/457010728.db2.gz ZFRYUCNNUMCEEJ-LJQANCHMSA-N 2 0 343.446 3.349 20 0 EGADRP CNC(=O)c1cccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000356574857 457063783 /nfs/dbraw/zinc/06/37/83/457063783.db2.gz JMMZKFLRVUIGCE-MJGOQNOKSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000354108341 457067030 /nfs/dbraw/zinc/06/70/30/457067030.db2.gz VDULHXUKGJWHBY-FQEVSTJZSA-N 2 0 334.504 3.407 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000356608325 457081847 /nfs/dbraw/zinc/08/18/47/457081847.db2.gz UJHSMDLURAYEHC-CQSZACIVSA-N 2 0 337.895 3.249 20 0 EGADRP CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000339385698 457083442 /nfs/dbraw/zinc/08/34/42/457083442.db2.gz QVQFOOWXYVXJAQ-MRXNPFEDSA-N 2 0 346.500 3.331 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]21 ZINC000342076562 457094452 /nfs/dbraw/zinc/09/44/52/457094452.db2.gz AIZTZAJBBLVHOH-CWRNSKLLSA-N 2 0 328.378 3.187 20 0 EGADRP Cc1ccncc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354159751 457100554 /nfs/dbraw/zinc/10/05/54/457100554.db2.gz VVOISVKHIYPFCK-HDICACEKSA-N 2 0 339.483 3.289 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177760 457112503 /nfs/dbraw/zinc/11/25/03/457112503.db2.gz QZIJHHQQDWZKJN-LJQANCHMSA-N 2 0 344.890 3.443 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000346689738 457113026 /nfs/dbraw/zinc/11/30/26/457113026.db2.gz SOEJOIPQBBSPDI-UHFFFAOYSA-N 2 0 340.515 3.370 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000346691482 457113476 /nfs/dbraw/zinc/11/34/76/457113476.db2.gz WAYMPXMJTLGNPF-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)N(C)C)cc1 ZINC000339590273 457158942 /nfs/dbraw/zinc/15/89/42/457158942.db2.gz HYHVVQZGGUUEEX-OGWOLHLISA-N 2 0 333.545 3.226 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000356773472 457161076 /nfs/dbraw/zinc/16/10/76/457161076.db2.gz LSLLTOMYBKKPRG-QFBILLFUSA-N 2 0 349.494 3.025 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000342219799 457175150 /nfs/dbraw/zinc/17/51/50/457175150.db2.gz NWBUXDZUGWBMDD-HZPDHXFCSA-N 2 0 329.488 3.135 20 0 EGADRP C[C@H](CNc1ccncc1Br)[N@H+](C)Cc1ccccc1 ZINC000342231007 457181576 /nfs/dbraw/zinc/18/15/76/457181576.db2.gz WVZKDCPCSOGYNZ-CYBMUJFWSA-N 2 0 334.261 3.198 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000339688418 457213898 /nfs/dbraw/zinc/21/38/98/457213898.db2.gz VESBGGWCBMDVNI-MRXNPFEDSA-N 2 0 335.561 3.475 20 0 EGADRP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347082389 457221279 /nfs/dbraw/zinc/22/12/79/457221279.db2.gz YUCHAWTYVOIMOF-YIONKMFJSA-N 2 0 328.378 3.343 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000354494483 457256338 /nfs/dbraw/zinc/25/63/38/457256338.db2.gz GEAUZTITBUJGOX-ZULIPRJHSA-N 2 0 346.515 3.464 20 0 EGADRP CCCOc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OC ZINC000347153452 457259308 /nfs/dbraw/zinc/25/93/08/457259308.db2.gz CIQIRQKBSJCUSD-GOSISDBHSA-N 2 0 332.488 3.448 20 0 EGADRP CC(C)N1CCC[C@@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000357008158 457272959 /nfs/dbraw/zinc/27/29/59/457272959.db2.gz DXCNTEDSBPWXGX-UYAOXDASSA-N 2 0 349.563 3.362 20 0 EGADRP Brc1ccsc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357042547 457294372 /nfs/dbraw/zinc/29/43/72/457294372.db2.gz FDKFVRGJMOZUCQ-LBPRGKRZSA-N 2 0 329.307 3.332 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(OC(F)F)c1 ZINC000357060300 457303706 /nfs/dbraw/zinc/30/37/06/457303706.db2.gz YBJWQZZEJOHWJS-AWEZNQCLSA-N 2 0 340.414 3.118 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000354668394 457307389 /nfs/dbraw/zinc/30/73/89/457307389.db2.gz VKLQEJULOYRBQW-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357107492 457326191 /nfs/dbraw/zinc/32/61/91/457326191.db2.gz RMIVPVZCUNNLHB-GOSISDBHSA-N 2 0 330.472 3.109 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000357109127 457327018 /nfs/dbraw/zinc/32/70/18/457327018.db2.gz HGAUCJIBJSXYPO-KURKYZTESA-N 2 0 345.531 3.406 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC(C)(C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000360838420 457376704 /nfs/dbraw/zinc/37/67/04/457376704.db2.gz UHXQECCWHAMICF-XLIONFOSSA-N 2 0 329.532 3.272 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1)C(C)C ZINC000357313401 457439671 /nfs/dbraw/zinc/43/96/71/457439671.db2.gz XEMRKEXZQMYGKI-GPMSIDNRSA-N 2 0 331.504 3.033 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC(C)(C)Cc4occc43)C2)CC1 ZINC000363783893 457445118 /nfs/dbraw/zinc/44/51/18/457445118.db2.gz LVRSLAVNTGSRAZ-YJBOKZPZSA-N 2 0 331.504 3.051 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3C[C@@H](c4ccccc4)C3(C)C)C2)CC1 ZINC000363803382 457448427 /nfs/dbraw/zinc/44/84/27/457448427.db2.gz JCHOBOOLQPKVML-SESVDKBCSA-N 2 0 341.543 3.327 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000397889660 457492279 /nfs/dbraw/zinc/49/22/79/457492279.db2.gz PCHBZBRGDVXFPY-MJGOQNOKSA-N 2 0 347.503 3.013 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000364152063 457502801 /nfs/dbraw/zinc/50/28/01/457502801.db2.gz XDKNWJOZTKYYSE-DQLDELGASA-N 2 0 346.515 3.483 20 0 EGADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000342766903 457511293 /nfs/dbraw/zinc/51/12/93/457511293.db2.gz YPPIRFJFOKUZSR-VQIMIIECSA-N 2 0 329.488 3.389 20 0 EGADRP CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000425351124 457511621 /nfs/dbraw/zinc/51/16/21/457511621.db2.gz ITQZXRLITJATJC-UHFFFAOYSA-N 2 0 347.503 3.398 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400466365 457516487 /nfs/dbraw/zinc/51/64/87/457516487.db2.gz WCQARKDLXCOPHN-WBVHZDCISA-N 2 0 339.524 3.238 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400975793 457523095 /nfs/dbraw/zinc/52/30/95/457523095.db2.gz RPXWUJNGMXSXOY-BURNTYAHSA-N 2 0 341.543 3.265 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000374230712 457535788 /nfs/dbraw/zinc/53/57/88/457535788.db2.gz NPTAQDHHIKGPNM-PMACEKPBSA-N 2 0 344.547 3.033 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)c2ccccc2C1 ZINC000361049060 457541936 /nfs/dbraw/zinc/54/19/36/457541936.db2.gz BEFXRICFOXZHSI-DYESRHJHSA-N 2 0 343.515 3.334 20 0 EGADRP c1cn([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000425516020 457583381 /nfs/dbraw/zinc/58/33/81/457583381.db2.gz RTLXIPJQPCIFHI-HXUWFJFHSA-N 2 0 339.487 3.101 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)CC1 ZINC000425543476 457591012 /nfs/dbraw/zinc/59/10/12/457591012.db2.gz PQEWSLQMXBOSQT-LJQANCHMSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000361165907 457624781 /nfs/dbraw/zinc/62/47/81/457624781.db2.gz ZIRASDYHYFXMKE-OXJNMPFZSA-N 2 0 339.483 3.078 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000357742611 457674916 /nfs/dbraw/zinc/67/49/16/457674916.db2.gz LMPHVTUOFZGMRB-MJGOQNOKSA-N 2 0 348.535 3.017 20 0 EGADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000370631063 457686198 /nfs/dbraw/zinc/68/61/98/457686198.db2.gz ZVFSZLMQQVRINL-RTWAWAEBSA-N 2 0 329.532 3.248 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000370638871 457688645 /nfs/dbraw/zinc/68/86/45/457688645.db2.gz ZYXLYULNWCFSDL-RDJZCZTQSA-N 2 0 327.472 3.252 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H](C)C3)CC1)C2 ZINC000370671102 457696407 /nfs/dbraw/zinc/69/64/07/457696407.db2.gz MFMCVDIVJRLVLH-XPGWFJOJSA-N 2 0 342.531 3.275 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000357863301 457716122 /nfs/dbraw/zinc/71/61/22/457716122.db2.gz MHTZJAPRFPUHQT-SFHVURJKSA-N 2 0 343.515 3.134 20 0 EGADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358042623 457749421 /nfs/dbraw/zinc/74/94/21/457749421.db2.gz VYYILZNLBKDRBV-VQIMIIECSA-N 2 0 345.531 3.282 20 0 EGADRP CN(Cc1csc2ccccc12)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433147598 457765752 /nfs/dbraw/zinc/76/57/52/457765752.db2.gz YVXFWZOFTFUZPZ-UHFFFAOYSA-N 2 0 345.512 3.063 20 0 EGADRP CC(C)c1nc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000375088169 457786610 /nfs/dbraw/zinc/78/66/10/457786610.db2.gz QEUAGZAAYQQGJJ-GJZGRUSLSA-N 2 0 336.549 3.086 20 0 EGADRP C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000457693905 457795604 /nfs/dbraw/zinc/79/56/04/457795604.db2.gz IFKVYEKSTWCWRA-SJORKVTESA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2)C1 ZINC000361610002 457804004 /nfs/dbraw/zinc/80/40/04/457804004.db2.gz KZJRGQGBFSVOOX-OAHLLOKOSA-N 2 0 338.455 3.025 20 0 EGADRP c1ncn([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411250589 457840966 /nfs/dbraw/zinc/84/09/66/457840966.db2.gz ZTQMGHZUAJCPND-HXUWFJFHSA-N 2 0 339.487 3.101 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411308557 457856732 /nfs/dbraw/zinc/85/67/32/457856732.db2.gz OVGDEEJUNAXFFZ-FQEVSTJZSA-N 2 0 341.499 3.476 20 0 EGADRP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371332832 457871942 /nfs/dbraw/zinc/87/19/42/457871942.db2.gz BETSYPWQWLTFQE-GOSISDBHSA-N 2 0 341.499 3.342 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)COC2 ZINC000358324180 457934118 /nfs/dbraw/zinc/93/41/18/457934118.db2.gz WPISGQGKPHIZOI-RVHYNSKXSA-N 2 0 344.499 3.135 20 0 EGADRP COCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCO[C@@H]1C ZINC000411658850 457941592 /nfs/dbraw/zinc/94/15/92/457941592.db2.gz XKTYYIUDJDIWGZ-WIYYLYMNSA-N 2 0 346.515 3.298 20 0 EGADRP Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371469575 457948105 /nfs/dbraw/zinc/94/81/05/457948105.db2.gz FTLQXNJZHPJICI-XFQXTVEOSA-N 2 0 328.456 3.425 20 0 EGADRP Cc1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000458194272 457965099 /nfs/dbraw/zinc/96/50/99/457965099.db2.gz JYRLUPYXMQCORL-BBWFWOEESA-N 2 0 347.503 3.135 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000411739483 457967760 /nfs/dbraw/zinc/96/77/60/457967760.db2.gz ABTCUJFPNUHUSX-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000427526979 457996997 /nfs/dbraw/zinc/99/69/97/457996997.db2.gz ZDFUPYQHRKMLNG-FQEVSTJZSA-N 2 0 341.499 3.379 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C(C)(C)n1cncn1 ZINC000368096980 458009293 /nfs/dbraw/zinc/00/92/93/458009293.db2.gz CXCPGMDBRHNKDW-INIZCTEOSA-N 2 0 333.524 3.036 20 0 EGADRP Clc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358513112 458050060 /nfs/dbraw/zinc/05/00/60/458050060.db2.gz VXGMNJCFURUOBB-UHFFFAOYSA-N 2 0 329.271 3.448 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000375812908 458078640 /nfs/dbraw/zinc/07/86/40/458078640.db2.gz YNJSXHWZXZOXMO-IOJLRTSASA-N 2 0 338.499 3.300 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000371814077 458084006 /nfs/dbraw/zinc/08/40/06/458084006.db2.gz CITIXCPOZSSXKD-QGZVFWFLSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000371814075 458084203 /nfs/dbraw/zinc/08/42/03/458084203.db2.gz CITIXCPOZSSXKD-KRWDZBQOSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371834267 458091488 /nfs/dbraw/zinc/09/14/88/458091488.db2.gz IKJIORRZZXWZTP-FQEVSTJZSA-N 2 0 329.532 3.487 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2oc(C(C)C)nc2C)CC1 ZINC000428240872 458104068 /nfs/dbraw/zinc/10/40/68/458104068.db2.gz QBMWJFCGRSWTPZ-UHFFFAOYSA-N 2 0 337.508 3.429 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000369199327 458120879 /nfs/dbraw/zinc/12/08/79/458120879.db2.gz VEYZXRLYYNGSLU-VQTJNVASSA-N 2 0 344.547 3.033 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000435372423 458121650 /nfs/dbraw/zinc/12/16/50/458121650.db2.gz APVOTJXZOQUZPQ-SWLSCSKDSA-N 2 0 332.879 3.312 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435377428 458127104 /nfs/dbraw/zinc/12/71/04/458127104.db2.gz BHZMARRGRZTYPX-OAHLLOKOSA-N 2 0 326.440 3.151 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000369216480 458127149 /nfs/dbraw/zinc/12/71/49/458127149.db2.gz VQLJLCHTRGORBZ-NHCUHLMSSA-N 2 0 329.532 3.328 20 0 EGADRP CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435381603 458129562 /nfs/dbraw/zinc/12/95/62/458129562.db2.gz UXEYCXMGMNJIRG-QGZVFWFLSA-N 2 0 326.444 3.233 20 0 EGADRP CCOc1c(OC)cc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435381666 458130809 /nfs/dbraw/zinc/13/08/09/458130809.db2.gz VGCWAXIELQJYCV-MRXNPFEDSA-N 2 0 336.476 3.067 20 0 EGADRP Cc1ccc2ncc(CN(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)n2c1 ZINC000435389084 458134156 /nfs/dbraw/zinc/13/41/56/458134156.db2.gz IPUGSHXVWMDXTD-LJQANCHMSA-N 2 0 349.482 3.182 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1)CC(C)C ZINC000358737384 458182435 /nfs/dbraw/zinc/18/24/35/458182435.db2.gz PIDRPIURVUZKEK-UHFFFAOYSA-N 2 0 345.531 3.366 20 0 EGADRP Cc1nc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)oc1C ZINC000435691995 458185334 /nfs/dbraw/zinc/18/53/34/458185334.db2.gz IGKMDTHHAMYQEY-MRXNPFEDSA-N 2 0 331.485 3.497 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000362472378 458201835 /nfs/dbraw/zinc/20/18/35/458201835.db2.gz JTJXZLXJDSYVMY-JTDSTZFVSA-N 2 0 329.488 3.197 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2s1 ZINC000446816275 458230694 /nfs/dbraw/zinc/23/06/94/458230694.db2.gz BCJJCOGKYKTLLR-HOCLYGCPSA-N 2 0 345.512 3.139 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000369561681 458266911 /nfs/dbraw/zinc/26/69/11/458266911.db2.gz PFJXAZABLKTSFB-CEXWTWQISA-N 2 0 332.536 3.404 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CC(C)(C)CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000436290059 458284468 /nfs/dbraw/zinc/28/44/68/458284468.db2.gz YNFBXAFHJZRTPK-PXNSSMCTSA-N 2 0 329.532 3.316 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436308670 458287345 /nfs/dbraw/zinc/28/73/45/458287345.db2.gz MWROVERAYYOKNL-WOJBJXKFSA-N 2 0 345.462 3.165 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447529232 458305849 /nfs/dbraw/zinc/30/58/49/458305849.db2.gz JQZUEOSTJACFSU-DUXKGJEZSA-N 2 0 329.532 3.487 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000447564497 458313062 /nfs/dbraw/zinc/31/30/62/458313062.db2.gz XGIHLAYSNBKYHE-FFZOFVMBSA-N 2 0 343.515 3.048 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)c2cccc(Br)c21 ZINC000447598296 458319170 /nfs/dbraw/zinc/31/91/70/458319170.db2.gz UYFNXQNCFFSDGI-SWLSCSKDSA-N 2 0 341.293 3.165 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C2CC(OC(C)C)C2)CC1 ZINC000459371913 458348396 /nfs/dbraw/zinc/34/83/96/458348396.db2.gz KNIVZABSPYOJCW-UHFFFAOYSA-N 2 0 326.525 3.013 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459383086 458352406 /nfs/dbraw/zinc/35/24/06/458352406.db2.gz FBVDYHRULUBBQR-LSDHHAIUSA-N 2 0 330.501 3.298 20 0 EGADRP COCc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000459431955 458368852 /nfs/dbraw/zinc/36/88/52/458368852.db2.gz GDOYSJLHUUNSGU-SJLPKXTDSA-N 2 0 343.471 3.211 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000376825020 458397870 /nfs/dbraw/zinc/39/78/70/458397870.db2.gz ZXJJOHJDKHJMLQ-GFOJFJKKSA-N 2 0 330.516 3.285 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423435000 458432766 /nfs/dbraw/zinc/43/27/66/458432766.db2.gz LCFBIPHTMLWOTJ-UGSOOPFHSA-N 2 0 340.471 3.384 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423451023 458434461 /nfs/dbraw/zinc/43/44/61/458434461.db2.gz UIOCWWCHRGHWBA-RBBKRZOGSA-N 2 0 349.478 3.390 20 0 EGADRP CC[C@H]([NH3+])CN[C@@H](CCCOC)c1ccc(Br)cc1 ZINC000423484735 458441174 /nfs/dbraw/zinc/44/11/74/458441174.db2.gz YWOHUBILUAIZCV-GJZGRUSLSA-N 2 0 329.282 3.244 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534570 458454091 /nfs/dbraw/zinc/45/40/91/458454091.db2.gz AFEKHMIVICNPFL-ZDUSSCGKSA-N 2 0 328.485 3.474 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000459722547 458457255 /nfs/dbraw/zinc/45/72/55/458457255.db2.gz BSKKWLQJRVPETL-KRWDZBQOSA-N 2 0 326.444 3.090 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000459729235 458458981 /nfs/dbraw/zinc/45/89/81/458458981.db2.gz ITBBXPQHEGKRSR-IBGZPJMESA-N 2 0 347.522 3.154 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430570407 458463620 /nfs/dbraw/zinc/46/36/20/458463620.db2.gz GSRUYWTVIXOBFU-LPHOPBHVSA-N 2 0 337.467 3.498 20 0 EGADRP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430599531 458468838 /nfs/dbraw/zinc/46/88/38/458468838.db2.gz VYYUBJNTZJRIQO-HNNXBMFYSA-N 2 0 329.444 3.232 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)CC1 ZINC000430595547 458469746 /nfs/dbraw/zinc/46/97/46/458469746.db2.gz MVOKMJMEZLHXQJ-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CCOc1ccc(-c2nc(CN(C)C3CC[NH2+]CC3)cs2)cc1 ZINC000430616965 458471647 /nfs/dbraw/zinc/47/16/47/458471647.db2.gz IXFOEGNCRUHCBT-UHFFFAOYSA-N 2 0 331.485 3.393 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423783111 458482239 /nfs/dbraw/zinc/48/22/39/458482239.db2.gz ZXVCTYVUDAEUHW-UYAOXDASSA-N 2 0 329.488 3.171 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000430708217 458483125 /nfs/dbraw/zinc/48/31/25/458483125.db2.gz RYWPUBGYMNVSNW-HQRMLTQVSA-N 2 0 345.531 3.282 20 0 EGADRP C[N@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373423885 458489162 /nfs/dbraw/zinc/48/91/62/458489162.db2.gz WZVVCONOTBYMCB-GOSISDBHSA-N 2 0 337.458 3.225 20 0 EGADRP CO[C@]1(C)CCC[NH+](C/C=C/C[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000377206857 458489741 /nfs/dbraw/zinc/48/97/41/458489741.db2.gz AHAKANWSVSDGQI-BGEOSOQGSA-N 2 0 338.536 3.325 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000423887942 458507618 /nfs/dbraw/zinc/50/76/18/458507618.db2.gz HRNQCFYABCJHNK-FQEVSTJZSA-N 2 0 343.515 3.117 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430934459 458507998 /nfs/dbraw/zinc/50/79/98/458507998.db2.gz OYNODQRFALQWJI-CVEARBPZSA-N 2 0 339.483 3.076 20 0 EGADRP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430933048 458508103 /nfs/dbraw/zinc/50/81/03/458508103.db2.gz IUZMWAPVZIQNRS-UHFFFAOYSA-N 2 0 337.467 3.224 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423909191 458511301 /nfs/dbraw/zinc/51/13/01/458511301.db2.gz UAURGCMCAIJFRZ-HKUYNNGSSA-N 2 0 345.531 3.168 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000461211278 458552096 /nfs/dbraw/zinc/55/20/96/458552096.db2.gz GTWOSPBAKOEZMM-LMMKCTJWSA-N 2 0 348.535 3.097 20 0 EGADRP C[C@@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C(C)(C)C[NH+](C)C ZINC000424142480 458569431 /nfs/dbraw/zinc/56/94/31/458569431.db2.gz IGOGJRYZCVDWAD-NVXWUHKLSA-N 2 0 325.541 3.157 20 0 EGADRP Cc1cc(F)c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000424150253 458571478 /nfs/dbraw/zinc/57/14/78/458571478.db2.gz YLXWSEJCNSZKJB-GJZGRUSLSA-N 2 0 326.431 3.252 20 0 EGADRP OC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC000438598763 458605577 /nfs/dbraw/zinc/60/55/77/458605577.db2.gz AXANKCFUYVXBMA-WOJBJXKFSA-N 2 0 328.500 3.278 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(Br)cs1)CC[NH2+]CC2 ZINC000424298369 458608082 /nfs/dbraw/zinc/60/80/82/458608082.db2.gz UMZWIMAJVZKKSE-NSHDSACASA-N 2 0 329.307 3.475 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431746010 458616988 /nfs/dbraw/zinc/61/69/88/458616988.db2.gz STMGCBAHXHIUFU-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CCCC1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431819186 458630528 /nfs/dbraw/zinc/63/05/28/458630528.db2.gz XSUXLLFYTXVAIU-HXUWFJFHSA-N 2 0 345.531 3.260 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000424443792 458644881 /nfs/dbraw/zinc/64/48/81/458644881.db2.gz LGWWGOLVLXZUCJ-UHFFFAOYSA-N 2 0 332.492 3.087 20 0 EGADRP COc1ccc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432361333 458723055 /nfs/dbraw/zinc/72/30/55/458723055.db2.gz DEQCSAOFVRFREQ-KRWDZBQOSA-N 2 0 342.483 3.439 20 0 EGADRP c1nc(C2CCCC2)sc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249327 458730382 /nfs/dbraw/zinc/73/03/82/458730382.db2.gz VJZMHYKPZKWVSX-QGZVFWFLSA-N 2 0 349.544 3.391 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494821327 458751656 /nfs/dbraw/zinc/75/16/56/458751656.db2.gz FRAGJWUSPOYLAV-HXUWFJFHSA-N 2 0 341.499 3.280 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000530359310 458754705 /nfs/dbraw/zinc/75/47/05/458754705.db2.gz QIWJXSMGGQHULS-UHFFFAOYSA-N 2 0 325.456 3.304 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCC23CCCC3)c2ccccc2)CC1 ZINC000530545835 458787043 /nfs/dbraw/zinc/78/70/43/458787043.db2.gz OBBVYUKOLPDHOV-PMACEKPBSA-N 2 0 327.516 3.288 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)CCCNC(=O)C3CCC3)CC2)C1 ZINC000432799703 458789433 /nfs/dbraw/zinc/78/94/33/458789433.db2.gz ZBVIKFSUNHWJPU-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000495084337 458797026 /nfs/dbraw/zinc/79/70/26/458797026.db2.gz MBWPMYKXPICVPT-QZTJIDSGSA-N 2 0 345.531 3.407 20 0 EGADRP Cc1ccc2cc([C@@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)oc2c1 ZINC000495258392 458820750 /nfs/dbraw/zinc/82/07/50/458820750.db2.gz BEPXACUYXYCNKV-MRXNPFEDSA-N 2 0 329.488 3.418 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495301792 458828861 /nfs/dbraw/zinc/82/88/61/458828861.db2.gz ISCFESUSCHEESY-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1)C1CC1 ZINC000531119966 458875217 /nfs/dbraw/zinc/87/52/17/458875217.db2.gz QLJCOXCGZWFNIA-HXUWFJFHSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474734347 458899412 /nfs/dbraw/zinc/89/94/12/458899412.db2.gz HTZHHRCHXMPKBM-AEGPPILISA-N 2 0 342.936 3.187 20 0 EGADRP Cc1ccc(C)c(OCCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441256631 458907077 /nfs/dbraw/zinc/90/70/77/458907077.db2.gz AEWAWGNPFFOVIB-SFHLNBCPSA-N 2 0 346.515 3.256 20 0 EGADRP CCc1oc2ccccc2c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441342799 458923587 /nfs/dbraw/zinc/92/35/87/458923587.db2.gz UMYPFCMAVHWMJN-UHFFFAOYSA-N 2 0 329.488 3.111 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531703561 458964592 /nfs/dbraw/zinc/96/45/92/458964592.db2.gz NOMMMKWBLKHAQQ-IBGZPJMESA-N 2 0 335.923 3.191 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCN1CCCC[C@H]1C ZINC000495849904 458975710 /nfs/dbraw/zinc/97/57/10/458975710.db2.gz LUDPQSCYMBXNFS-HZPDHXFCSA-N 2 0 327.513 3.144 20 0 EGADRP C[C@@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC000566792310 459001537 /nfs/dbraw/zinc/00/15/37/459001537.db2.gz RCSKDWNEJRTMNM-AWEZNQCLSA-N 2 0 339.430 3.005 20 0 EGADRP CC[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC000495960043 459019623 /nfs/dbraw/zinc/01/96/23/459019623.db2.gz DRSSWDBWQZMORR-CQSZACIVSA-N 2 0 327.513 3.142 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000556909703 459030744 /nfs/dbraw/zinc/03/07/44/459030744.db2.gz IVCIEFJMHMLZAI-IGCXYCKISA-N 2 0 326.431 3.441 20 0 EGADRP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000567122165 459051785 /nfs/dbraw/zinc/05/17/85/459051785.db2.gz WWQVWRMXGIELGU-QGZVFWFLSA-N 2 0 335.923 3.249 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000442916740 459059811 /nfs/dbraw/zinc/05/98/11/459059811.db2.gz AGLDHNMALGEISD-KRWDZBQOSA-N 2 0 325.456 3.221 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442916767 459059823 /nfs/dbraw/zinc/05/98/23/459059823.db2.gz AJLHUQQXUMBGNH-LJQANCHMSA-N 2 0 326.488 3.109 20 0 EGADRP Fc1ccc(COc2cccc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000577633709 459065865 /nfs/dbraw/zinc/06/58/65/459065865.db2.gz VBWWZYNTRIHYMX-MOPGFXCFSA-N 2 0 340.442 3.446 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060891 459081372 /nfs/dbraw/zinc/08/13/72/459081372.db2.gz QAVGXAASXAGAMJ-NEPJUHHUSA-N 2 0 344.286 3.381 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000443077931 459085842 /nfs/dbraw/zinc/08/58/42/459085842.db2.gz VJEYYPPSIOACHD-CYBMUJFWSA-N 2 0 343.393 3.095 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442421 459088855 /nfs/dbraw/zinc/08/88/55/459088855.db2.gz JCWPTAXBSURXTG-JKSUJKDBSA-N 2 0 329.488 3.486 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000532492510 459099074 /nfs/dbraw/zinc/09/90/74/459099074.db2.gz FYWWKRVJGSTEDX-CABCVRRESA-N 2 0 339.911 3.007 20 0 EGADRP COc1ccc(COCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000594725096 459141808 /nfs/dbraw/zinc/14/18/08/459141808.db2.gz AOXQAHPQHJQDMM-UHFFFAOYSA-N 2 0 334.504 3.264 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479557148 459148981 /nfs/dbraw/zinc/14/89/81/459148981.db2.gz NPTYWUGNJQXHDJ-DNVCBOLYSA-N 2 0 335.923 3.191 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000479559609 459149285 /nfs/dbraw/zinc/14/92/85/459149285.db2.gz VUFWPZDBFOUZBX-IFXJQAMLSA-N 2 0 334.891 3.418 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000578500430 459211639 /nfs/dbraw/zinc/21/16/39/459211639.db2.gz INDNBPFUAMZVLV-ZPVISIIKSA-N 2 0 330.863 3.336 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC1 ZINC000595063440 459233559 /nfs/dbraw/zinc/23/35/59/459233559.db2.gz AXKSUIGMYHFVSZ-OYQWSTANSA-N 2 0 340.577 3.309 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000595104198 459247176 /nfs/dbraw/zinc/24/71/76/459247176.db2.gz QKLXWDOKXWBLDN-AYOQOUSVSA-N 2 0 336.520 3.066 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481421000 459253600 /nfs/dbraw/zinc/25/36/00/459253600.db2.gz ZPCKBFDEMPFGFK-XHDPSFHLSA-N 2 0 329.257 3.061 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000568391822 459280209 /nfs/dbraw/zinc/28/02/09/459280209.db2.gz PRIGDRUTWXHVPX-HNAYVOBHSA-N 2 0 333.545 3.011 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000482540075 459313820 /nfs/dbraw/zinc/31/38/20/459313820.db2.gz CFZFPNVVAGQCKR-FCHUYYIVSA-N 2 0 343.559 3.405 20 0 EGADRP CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000483861913 459395859 /nfs/dbraw/zinc/39/58/59/459395859.db2.gz PUADSUFAYMMFCJ-MOXGXCLJSA-N 2 0 334.504 3.481 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000561284021 459438513 /nfs/dbraw/zinc/43/85/13/459438513.db2.gz IHLCLCGLYSFETI-GOSISDBHSA-N 2 0 325.456 3.146 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000525422993 459454770 /nfs/dbraw/zinc/45/47/70/459454770.db2.gz OQLGLROOFOXCJU-UHFFFAOYSA-N 2 0 348.878 3.206 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)c1ncccc1C ZINC000582994342 459463814 /nfs/dbraw/zinc/46/38/14/459463814.db2.gz WMWPLDQUVXZCHW-UHFFFAOYSA-N 2 0 335.455 3.347 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000541574319 459467858 /nfs/dbraw/zinc/46/78/58/459467858.db2.gz JKWNONGJULTLLJ-JKSUJKDBSA-N 2 0 325.541 3.170 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000525874989 459508769 /nfs/dbraw/zinc/50/87/69/459508769.db2.gz DDLZCUDSMVDIQO-LEWJYISDSA-N 2 0 329.532 3.114 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000573111315 459628845 /nfs/dbraw/zinc/62/88/45/459628845.db2.gz QSIHHFZOFQTYBD-VQIMIIECSA-N 2 0 338.923 3.488 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000562962326 459680664 /nfs/dbraw/zinc/68/06/64/459680664.db2.gz ZFBKFNMOJKCAQV-LLFXLSNSSA-N 2 0 325.431 3.416 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527654194 459685533 /nfs/dbraw/zinc/68/55/33/459685533.db2.gz ROSWQCAXYVOAAK-ZDUSSCGKSA-N 2 0 349.466 3.130 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000563134447 459721826 /nfs/dbraw/zinc/72/18/26/459721826.db2.gz BWSHDMGNQLGPKC-OXQOHEQNSA-N 2 0 347.572 3.402 20 0 EGADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000584379232 459722112 /nfs/dbraw/zinc/72/21/12/459722112.db2.gz RIVPUYJSYANAQX-UHFFFAOYSA-N 2 0 340.471 3.418 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000573787581 459733762 /nfs/dbraw/zinc/73/37/62/459733762.db2.gz IYROCVAYLTVEJT-PBHICJAKSA-N 2 0 326.444 3.262 20 0 EGADRP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501795585 459744467 /nfs/dbraw/zinc/74/44/67/459744467.db2.gz NWYBTXZJHPPABT-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527845103 459757376 /nfs/dbraw/zinc/75/73/76/459757376.db2.gz CCEIWKSQRZDINX-XLIONFOSSA-N 2 0 327.516 3.102 20 0 EGADRP [NH3+]CCN(c1ccc2ccccc2n1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000584577326 459771502 /nfs/dbraw/zinc/77/15/02/459771502.db2.gz QGUVLPZPLBJEIE-UHFFFAOYSA-N 2 0 347.466 3.064 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)CCC2)c1 ZINC000574050187 459774045 /nfs/dbraw/zinc/77/40/45/459774045.db2.gz CXVVJWVQQFDZRS-WMZOPIPTSA-N 2 0 332.488 3.194 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC23CC(C2)CO3)ccc1OC ZINC000527987126 459788763 /nfs/dbraw/zinc/78/87/63/459788763.db2.gz ZIYLBNNLIIQHEC-SHPPYHEDSA-N 2 0 332.488 3.367 20 0 EGADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000566058993 459799354 /nfs/dbraw/zinc/79/93/54/459799354.db2.gz NBFWNUHGFFDLHR-FUHWJXTLSA-N 2 0 327.476 3.060 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000566107867 459805992 /nfs/dbraw/zinc/80/59/92/459805992.db2.gz BIUANDSIMDTJJX-WOJBJXKFSA-N 2 0 348.531 3.062 20 0 EGADRP CC[C@@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[NH+](CC)CC ZINC000545188378 459807418 /nfs/dbraw/zinc/80/74/18/459807418.db2.gz DLAWHFMUDGCYJF-IBGZPJMESA-N 2 0 331.504 3.236 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC000545309232 459822545 /nfs/dbraw/zinc/82/25/45/459822545.db2.gz WELBDWFVILBBOW-KRWDZBQOSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1CC2(CN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1)CC[NH2+]CC2 ZINC000574564487 459834708 /nfs/dbraw/zinc/83/47/08/459834708.db2.gz RJKMHFZUYUQYKT-FUHWJXTLSA-N 2 0 335.536 3.055 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000566325556 459843084 /nfs/dbraw/zinc/84/30/84/459843084.db2.gz QELUVRAWMXQAME-JKSUJKDBSA-N 2 0 336.442 3.444 20 0 EGADRP C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574865739 459883721 /nfs/dbraw/zinc/88/37/21/459883721.db2.gz PMVXVOZLTNMHFP-JPQBHMHHSA-N 2 0 348.453 3.465 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)o1 ZINC000618385442 459992200 /nfs/dbraw/zinc/99/22/00/459992200.db2.gz RYGNXOXJONZMLU-CVEARBPZSA-N 2 0 335.492 3.114 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000621641831 459993841 /nfs/dbraw/zinc/99/38/41/459993841.db2.gz XOTCGZUIBGXSGT-KRWDZBQOSA-N 2 0 347.503 3.126 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000621642544 459994362 /nfs/dbraw/zinc/99/43/62/459994362.db2.gz QBTFGYRUPXTJLA-DOTOQJQBSA-N 2 0 337.533 3.027 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000621652061 459997203 /nfs/dbraw/zinc/99/72/03/459997203.db2.gz VCSFESGOYSPGQX-FRQCXROJSA-N 2 0 349.544 3.027 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000575982279 460045403 /nfs/dbraw/zinc/04/54/03/460045403.db2.gz OGEPAONECHGZJV-OFLPRAFFSA-N 2 0 344.421 3.071 20 0 EGADRP c1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(-c2ccccc2)o1 ZINC000576004531 460051549 /nfs/dbraw/zinc/05/15/49/460051549.db2.gz COABYFMXXLYFLA-UHFFFAOYSA-N 2 0 334.423 3.495 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000625277888 460103129 /nfs/dbraw/zinc/10/31/29/460103129.db2.gz WGAODEHVSMQVKC-UHFFFAOYSA-N 2 0 339.911 3.305 20 0 EGADRP COC(=O)c1oc([C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1C ZINC000602846031 460157869 /nfs/dbraw/zinc/15/78/69/460157869.db2.gz OSWNTKMGBGUISJ-OAHLLOKOSA-N 2 0 343.427 3.043 20 0 EGADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000618986334 460242044 /nfs/dbraw/zinc/24/20/44/460242044.db2.gz YJYMAPQAESVIFZ-GOSISDBHSA-N 2 0 343.515 3.133 20 0 EGADRP FC1(F)CCC[NH+](CCOCC[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770237 460256334 /nfs/dbraw/zinc/25/63/34/460256334.db2.gz SSMXNYWWKMZJNQ-UHFFFAOYSA-N 2 0 340.405 3.245 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798892 460267846 /nfs/dbraw/zinc/26/78/46/460267846.db2.gz HPXXKNDJBPISLK-UTKZUKDTSA-N 2 0 342.483 3.361 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000619425897 460352217 /nfs/dbraw/zinc/35/22/17/460352217.db2.gz LSOLUUPBBNSFCL-GOSISDBHSA-N 2 0 332.488 3.078 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NCCC(C)C ZINC000626062067 460358664 /nfs/dbraw/zinc/35/86/64/460358664.db2.gz FFAGRJIPABMTBO-QGZVFWFLSA-N 2 0 333.520 3.121 20 0 EGADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC000628540935 460450812 /nfs/dbraw/zinc/45/08/12/460450812.db2.gz UCENKFFAWZXCBD-HXUWFJFHSA-N 2 0 345.531 3.087 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631575450 460452142 /nfs/dbraw/zinc/45/21/42/460452142.db2.gz FPCYJYMOFPRIQJ-ANULTFPQSA-N 2 0 340.511 3.446 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCc2ncccc21 ZINC000631577208 460452184 /nfs/dbraw/zinc/45/21/84/460452184.db2.gz QQFFKHMTYGBDQS-IBGZPJMESA-N 2 0 325.456 3.189 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000631603668 460468987 /nfs/dbraw/zinc/46/89/87/460468987.db2.gz ZJUORHSCIJJGAL-PCCBWWKXSA-N 2 0 344.499 3.040 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000631603666 460469003 /nfs/dbraw/zinc/46/90/03/460469003.db2.gz ZJUORHSCIJJGAL-HBMCJLEFSA-N 2 0 344.499 3.040 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000634688451 460478032 /nfs/dbraw/zinc/47/80/32/460478032.db2.gz SSNLOVUGYSQKHO-LSTHTHJFSA-N 2 0 325.456 3.096 20 0 EGADRP O[C@@]1(CNc2ccc3c[nH+]ccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634718582 460491606 /nfs/dbraw/zinc/49/16/06/460491606.db2.gz FVKPRUMSPKAVGP-OAQYLSRUSA-N 2 0 333.435 3.284 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000634733102 460497171 /nfs/dbraw/zinc/49/71/71/460497171.db2.gz XBLGHJRELRCMMH-AWEZNQCLSA-N 2 0 330.394 3.496 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623431355 460546763 /nfs/dbraw/zinc/54/67/63/460546763.db2.gz BPRVIIMDQOGCIF-UHFFFAOYSA-N 2 0 325.447 3.242 20 0 EGADRP COc1ccc(-c2cc(CN3CC[C@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000606903140 460757235 /nfs/dbraw/zinc/75/72/35/460757235.db2.gz DSSKXCIAYPIABO-MRXNPFEDSA-N 2 0 341.455 3.268 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000629512111 460789031 /nfs/dbraw/zinc/78/90/31/460789031.db2.gz ASDVWMSMJAUMFC-JINUEQRGSA-N 2 0 328.378 3.028 20 0 EGADRP C[NH+](C)CC1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000635448060 460789310 /nfs/dbraw/zinc/78/93/10/460789310.db2.gz CBJFPIFLGOSOJL-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cc2c1 ZINC000629539932 460800425 /nfs/dbraw/zinc/80/04/25/460800425.db2.gz SOHVUXAHRCYUCQ-HFSMHLIXSA-N 2 0 339.483 3.262 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543855 460802638 /nfs/dbraw/zinc/80/26/38/460802638.db2.gz FYPWTLYYQFJLQQ-DUVNUKRYSA-N 2 0 325.859 3.165 20 0 EGADRP C[NH2+]CCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000629547787 460804286 /nfs/dbraw/zinc/80/42/86/460804286.db2.gz FZJSNRBZGGGXQR-CQSZACIVSA-N 2 0 329.307 3.225 20 0 EGADRP C[C@H](CC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000629567641 460813470 /nfs/dbraw/zinc/81/34/70/460813470.db2.gz ZILHDQIGTQKXIY-PBHICJAKSA-N 2 0 344.421 3.245 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122155 460872526 /nfs/dbraw/zinc/87/25/26/460872526.db2.gz KWWNGLFBTYYWEE-ZWKOTPCHSA-N 2 0 334.504 3.346 20 0 EGADRP C[NH+](C)CCc1ccc(-c2ccc(C3(C[NH3+])CCOCC3)cc2)cc1 ZINC000629733043 460894522 /nfs/dbraw/zinc/89/45/22/460894522.db2.gz YITDIQIZEPMYAH-UHFFFAOYSA-N 2 0 338.495 3.465 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)C1CC[NH+](C)CC1 ZINC000624224867 460919614 /nfs/dbraw/zinc/91/96/14/460919614.db2.gz CCPSVQMAUPAYHN-XJKSGUPXSA-N 2 0 339.886 3.378 20 0 EGADRP Cc1cn2ccc(NC(=O)NCCCC[NH+]3CCC(C)CC3)cc2n1 ZINC000668151627 461137947 /nfs/dbraw/zinc/13/79/47/461137947.db2.gz KGKSKPOCCVXBJB-UHFFFAOYSA-N 2 0 343.475 3.276 20 0 EGADRP CCc1cccc2cc(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)oc21 ZINC000668158574 461142911 /nfs/dbraw/zinc/14/29/11/461142911.db2.gz XFDJQGISVZZKAC-UHFFFAOYSA-N 2 0 343.515 3.453 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000652349317 461142939 /nfs/dbraw/zinc/14/29/39/461142939.db2.gz KLRJBVBKXDERRA-UNEWFSDZSA-N 2 0 347.484 3.121 20 0 EGADRP C[C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@H]1CC[NH3+] ZINC000652355140 461148911 /nfs/dbraw/zinc/14/89/11/461148911.db2.gz QBIPSWCYYOHGQQ-BBRMVZONSA-N 2 0 348.878 3.382 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000668172331 461156208 /nfs/dbraw/zinc/15/62/08/461156208.db2.gz LDUANFGXKZWUAT-QRFRQXIXSA-N 2 0 332.488 3.016 20 0 EGADRP Fc1ccc2c(c1)onc2C1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000668178320 461161543 /nfs/dbraw/zinc/16/15/43/461161543.db2.gz SYSTYOZMCVBZNR-UHFFFAOYSA-N 2 0 340.402 3.489 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1C ZINC000662291269 461168174 /nfs/dbraw/zinc/16/81/74/461168174.db2.gz RAJAFNCNTSFUEW-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293226 461169419 /nfs/dbraw/zinc/16/94/19/461169419.db2.gz DNWSQMVJRNLPHB-FUHWJXTLSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000662294654 461172698 /nfs/dbraw/zinc/17/26/98/461172698.db2.gz DIJKBLQKZKPHQO-WBVHZDCISA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295173 461173544 /nfs/dbraw/zinc/17/35/44/461173544.db2.gz FSASCAQAFYVBON-FUHWJXTLSA-N 2 0 329.488 3.034 20 0 EGADRP CCn1c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2c1cccc2F ZINC000662295684 461175266 /nfs/dbraw/zinc/17/52/66/461175266.db2.gz WKEVCTNUNKEOAN-INIZCTEOSA-N 2 0 344.478 3.407 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296207 461176642 /nfs/dbraw/zinc/17/66/42/461176642.db2.gz XUEIDWVSQUOYSD-INIZCTEOSA-N 2 0 349.906 3.299 20 0 EGADRP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1C ZINC000662296413 461176713 /nfs/dbraw/zinc/17/67/13/461176713.db2.gz ZQNNUKZQFHCWLX-QGZVFWFLSA-N 2 0 349.544 3.323 20 0 EGADRP Clc1ccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000662299242 461178304 /nfs/dbraw/zinc/17/83/04/461178304.db2.gz MREFLUZJRLOKCA-ZDUSSCGKSA-N 2 0 328.287 3.115 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)[C@@H]1CCC[NH3+] ZINC000662314035 461186679 /nfs/dbraw/zinc/18/66/79/461186679.db2.gz LQOITSDQCIUOLN-MKXGPGLRSA-N 2 0 335.536 3.007 20 0 EGADRP COCCN(Cc1cnc(C)n1C)Cc1ccc(F)c(Cl)c1 ZINC000668227544 461192710 /nfs/dbraw/zinc/19/27/10/461192710.db2.gz MYJFURVZWKNDAX-UHFFFAOYSA-N 2 0 325.815 3.170 20 0 EGADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCCC2)c1 ZINC000655352896 461201901 /nfs/dbraw/zinc/20/19/01/461201901.db2.gz QGSKMRHIWYNQHI-WOJBJXKFSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662458944 461251898 /nfs/dbraw/zinc/25/18/98/461251898.db2.gz AOCXGDYUGJRCEJ-IAGOWNOFSA-N 2 0 341.499 3.016 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445511 461254619 /nfs/dbraw/zinc/25/46/19/461254619.db2.gz AAANHWYWEUCIMN-FPOVZHCZSA-N 2 0 341.499 3.043 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000662497255 461270212 /nfs/dbraw/zinc/27/02/12/461270212.db2.gz HABRPPVOUCVXQR-OZOXKJRCSA-N 2 0 349.478 3.000 20 0 EGADRP C[C@@H](NCc1cnc2n1CCC2)c1nc2ccccc2n1C(F)F ZINC000641704716 461328530 /nfs/dbraw/zinc/32/85/30/461328530.db2.gz KBVDEVBMRBQLDT-LLVKDONJSA-N 2 0 331.370 3.425 20 0 EGADRP CCn1cc(C[NH2+]CC2CC[NH+](CC)CC2)c(-c2ccccc2)n1 ZINC000641717036 461335711 /nfs/dbraw/zinc/33/57/11/461335711.db2.gz WGCNAGQFDTWCMM-UHFFFAOYSA-N 2 0 326.488 3.392 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000662669469 461341732 /nfs/dbraw/zinc/34/17/32/461341732.db2.gz ZQABAGLUXHOUDM-HKUYNNGSSA-N 2 0 343.515 3.236 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655688728 461364075 /nfs/dbraw/zinc/36/40/75/461364075.db2.gz CTGCCNWUCIZAMX-HXUWFJFHSA-N 2 0 329.532 3.298 20 0 EGADRP Cc1nnsc1CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000638366428 461390305 /nfs/dbraw/zinc/39/03/05/461390305.db2.gz JBHCOJDRMBXWNQ-CQSZACIVSA-N 2 0 330.501 3.368 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](OC)C2CCOCC2)c1 ZINC000638380628 461398577 /nfs/dbraw/zinc/39/85/77/461398577.db2.gz CVSTYEQCMBKLHY-HXUWFJFHSA-N 2 0 334.504 3.060 20 0 EGADRP CC(C)COc1cccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638423440 461422798 /nfs/dbraw/zinc/42/27/98/461422798.db2.gz VCWOHDKSZQFXIV-UHFFFAOYSA-N 2 0 334.504 3.046 20 0 EGADRP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000655762092 461429856 /nfs/dbraw/zinc/42/98/56/461429856.db2.gz AKUBGAALYDNCLK-NHCUHLMSSA-N 2 0 349.563 3.017 20 0 EGADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659897579 461487681 /nfs/dbraw/zinc/48/76/81/461487681.db2.gz XZVCALWIKJKXMP-NLWGTHIKSA-N 2 0 330.516 3.347 20 0 EGADRP C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638567911 461490352 /nfs/dbraw/zinc/49/03/52/461490352.db2.gz SQSHUWFTXFGYJQ-IIAWOOMASA-N 2 0 337.508 3.122 20 0 EGADRP CC(C)COc1ccc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638579972 461491814 /nfs/dbraw/zinc/49/18/14/461491814.db2.gz YITNSPVQBRBJHR-UHFFFAOYSA-N 2 0 348.531 3.089 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112099 461506007 /nfs/dbraw/zinc/50/60/07/461506007.db2.gz LNZANFGUECRETF-WOJBJXKFSA-N 2 0 341.499 3.184 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653110846 461506825 /nfs/dbraw/zinc/50/68/25/461506825.db2.gz WQNAOPAGNRUJMS-RBUKOAKNSA-N 2 0 327.472 3.142 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000653119654 461510172 /nfs/dbraw/zinc/51/01/72/461510172.db2.gz RPLBKQYHUOLAIM-PKOBYXMFSA-N 2 0 343.515 3.156 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC([C@H]4CC[NH2+]C4)CC3)c2cc1OC ZINC000663238638 461523190 /nfs/dbraw/zinc/52/31/90/461523190.db2.gz GOOMEWUEQNDEEO-HNNXBMFYSA-N 2 0 341.455 3.078 20 0 EGADRP COc1cccc(SCCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000659974735 461523501 /nfs/dbraw/zinc/52/35/01/461523501.db2.gz PUBXCLQDMLMORY-KRWDZBQOSA-N 2 0 334.529 3.451 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631091097 461540412 /nfs/dbraw/zinc/54/04/12/461540412.db2.gz KKXUSULUDRGZQB-NHCUHLMSSA-N 2 0 342.458 3.446 20 0 EGADRP CCc1ccc(C(C)(C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638722852 461548392 /nfs/dbraw/zinc/54/83/92/461548392.db2.gz WLKMKTLYCUIFFC-UHFFFAOYSA-N 2 0 332.532 3.352 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CO1 ZINC000647181879 461550306 /nfs/dbraw/zinc/55/03/06/461550306.db2.gz WYFDNQJLNAOMRP-GHTZIAJQSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CO1 ZINC000647181880 461550972 /nfs/dbraw/zinc/55/09/72/461550972.db2.gz WYFDNQJLNAOMRP-NQIIRXRSSA-N 2 0 330.516 3.488 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000638734773 461554113 /nfs/dbraw/zinc/55/41/13/461554113.db2.gz HSKMFAOUSVRVFV-UKRRQHHQSA-N 2 0 336.442 3.180 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]([NH3+])c1ccccc1C)C1CCCCC1 ZINC000653201077 461556578 /nfs/dbraw/zinc/55/65/78/461556578.db2.gz ZHSQITDRGXENDU-IBGZPJMESA-N 2 0 331.504 3.156 20 0 EGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)co2)cc1 ZINC000643061193 461599006 /nfs/dbraw/zinc/59/90/06/461599006.db2.gz IVFQAPQYULBLBU-IBGZPJMESA-N 2 0 341.455 3.314 20 0 EGADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000631163383 461603006 /nfs/dbraw/zinc/60/30/06/461603006.db2.gz NFCBNRDCPYBMHR-UHFFFAOYSA-N 2 0 342.458 3.251 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838516 461607123 /nfs/dbraw/zinc/60/71/23/461607123.db2.gz KTLOCZHKURWFCC-FPOVZHCZSA-N 2 0 325.500 3.206 20 0 EGADRP COc1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000660166304 461617000 /nfs/dbraw/zinc/61/70/00/461617000.db2.gz NZCRNGVDPXSHHW-UHFFFAOYSA-N 2 0 346.500 3.285 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000647302887 461622534 /nfs/dbraw/zinc/62/25/34/461622534.db2.gz YTEHFQBNCODNNA-FQEVSTJZSA-N 2 0 347.547 3.398 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000656195698 461642196 /nfs/dbraw/zinc/64/21/96/461642196.db2.gz BVPDZXTWQDENLP-RDBSUJKOSA-N 2 0 343.393 3.023 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663467092 461657009 /nfs/dbraw/zinc/65/70/09/461657009.db2.gz ZNFLTCXTWJPTFO-GUDVDZBRSA-N 2 0 330.520 3.158 20 0 EGADRP CCC[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638987708 461669828 /nfs/dbraw/zinc/66/98/28/461669828.db2.gz WYLOLOHCXLIJJL-SFHVURJKSA-N 2 0 338.455 3.014 20 0 EGADRP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000639022952 461677316 /nfs/dbraw/zinc/67/73/16/461677316.db2.gz KGQXVCCTJVGUCS-SFHVURJKSA-N 2 0 349.478 3.060 20 0 EGADRP Cn1cncc1CCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000653557163 461721262 /nfs/dbraw/zinc/72/12/62/461721262.db2.gz FQTBVXNAHMLESQ-UHFFFAOYSA-N 2 0 329.288 3.169 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647535687 461751333 /nfs/dbraw/zinc/75/13/33/461751333.db2.gz ZPQBIXWRWXXVKT-OAHLLOKOSA-N 2 0 338.455 3.394 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000643533860 461754967 /nfs/dbraw/zinc/75/49/67/461754967.db2.gz GEFFXTUUYBTACJ-ABAIWWIYSA-N 2 0 326.387 3.089 20 0 EGADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542828 461756343 /nfs/dbraw/zinc/75/63/43/461756343.db2.gz CMOQXRADQWKDHI-ZIAGYGMSSA-N 2 0 327.394 3.312 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@@H]3CCC[C@@H]32)cc1 ZINC000643536420 461756861 /nfs/dbraw/zinc/75/68/61/461756861.db2.gz QQVBUVNLCZQTIQ-XSDIEEQYSA-N 3 0 339.527 3.161 20 0 EGADRP Brc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543042 461757461 /nfs/dbraw/zinc/75/74/61/461757461.db2.gz GXDFBRALKSRJME-KGLIPLIRSA-N 2 0 338.293 3.056 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543277 461757664 /nfs/dbraw/zinc/75/76/64/461757664.db2.gz KJAUNKCYTUZQAK-MOPGFXCFSA-N 2 0 338.499 3.392 20 0 EGADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542826 461757785 /nfs/dbraw/zinc/75/77/85/461757785.db2.gz CMOQXRADQWKDHI-KGLIPLIRSA-N 2 0 327.394 3.312 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543565 461758752 /nfs/dbraw/zinc/75/87/52/461758752.db2.gz PNRRBLKWXDGKAL-DLBZAZTESA-N 2 0 332.488 3.224 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647543560 461759391 /nfs/dbraw/zinc/75/93/91/461759391.db2.gz PLAKDXICPJYMJX-LSDHHAIUSA-N 2 0 346.906 3.438 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643539258 461759973 /nfs/dbraw/zinc/75/99/73/461759973.db2.gz SWCUFDDWOFFGEI-KCXAZCMYSA-N 2 0 341.293 3.386 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CC[NH2+]1 ZINC000666690859 461761463 /nfs/dbraw/zinc/76/14/63/461761463.db2.gz OWPKJLSTPPZAEJ-HZPDHXFCSA-N 2 0 340.471 3.304 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Oc1cccnc1 ZINC000647550992 461762609 /nfs/dbraw/zinc/76/26/09/461762609.db2.gz SBGARVFUFBHEBP-BRWVUGGUSA-N 2 0 341.430 3.491 20 0 EGADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647551139 461763405 /nfs/dbraw/zinc/76/34/05/461763405.db2.gz ZPWYLZNODVVKIQ-JKIFEVAISA-N 2 0 349.316 3.458 20 0 EGADRP c1ccc([C@@H](C[NH+]2CCCCC2)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000656496479 461767647 /nfs/dbraw/zinc/76/76/47/461767647.db2.gz QHJZLMZRUNFMNL-OAQYLSRUSA-N 2 0 327.516 3.430 20 0 EGADRP Cn1ccnc1[C@@H](C1CC1)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000639178493 461785633 /nfs/dbraw/zinc/78/56/33/461785633.db2.gz KEIKGBVMBKVWCZ-HXUWFJFHSA-N 2 0 338.499 3.468 20 0 EGADRP CC[C@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)C(=O)NC ZINC000639241134 461822002 /nfs/dbraw/zinc/82/20/02/461822002.db2.gz HWBBTWOHQIHYGO-RXVVDRJESA-N 2 0 345.531 3.039 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647789583 461835674 /nfs/dbraw/zinc/83/56/74/461835674.db2.gz HNIXATZITOBOFK-HGIWEUDGSA-N 3 0 341.543 3.396 20 0 EGADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647788293 461835906 /nfs/dbraw/zinc/83/59/06/461835906.db2.gz HBVWOXIKBNGJDP-HLAWJBBLSA-N 3 0 327.516 3.150 20 0 EGADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791790 461837064 /nfs/dbraw/zinc/83/70/64/461837064.db2.gz MYIWOSNOQKGBSS-LEUOFYLZSA-N 2 0 329.488 3.149 20 0 EGADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000666856633 461838379 /nfs/dbraw/zinc/83/83/79/461838379.db2.gz VOGGISFXKRAHAE-LLVKDONJSA-N 2 0 349.219 3.282 20 0 EGADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccco2)cc1 ZINC000647799696 461841417 /nfs/dbraw/zinc/84/14/17/461841417.db2.gz OHCBDLRHKAYXJA-YZLZLFLDSA-N 2 0 326.440 3.355 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000647797941 461842078 /nfs/dbraw/zinc/84/20/78/461842078.db2.gz HSQJRXDZUHIZHQ-XLNGHYISSA-N 2 0 328.435 3.050 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000663884756 461854679 /nfs/dbraw/zinc/85/46/79/461854679.db2.gz ZSWWLBGEEMZMLN-DYESRHJHSA-N 2 0 343.515 3.019 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000666916915 461867584 /nfs/dbraw/zinc/86/75/84/461867584.db2.gz WRVCZDMZCBPYCZ-QIMBPPIPSA-N 2 0 337.467 3.266 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OCCC(C)C ZINC000666952323 461885625 /nfs/dbraw/zinc/88/56/25/461885625.db2.gz QSZMIBFVBALSEC-IBGZPJMESA-N 2 0 332.488 3.352 20 0 EGADRP Brc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c2ncccc12 ZINC000666953890 461886609 /nfs/dbraw/zinc/88/66/09/461886609.db2.gz KKLUGBJQLDLISV-HNNXBMFYSA-N 2 0 346.272 3.229 20 0 EGADRP CC1([NH3+])CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000647925262 461888339 /nfs/dbraw/zinc/88/83/39/461888339.db2.gz AYPMWGREJSVBJQ-UHFFFAOYSA-N 2 0 330.259 3.135 20 0 EGADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2cc(N)ccc2O1 ZINC000666959404 461888797 /nfs/dbraw/zinc/88/87/97/461888797.db2.gz MBLYDMLLEDXEIN-OWLYRPNTSA-N 2 0 329.488 3.381 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784087 461893882 /nfs/dbraw/zinc/89/38/82/461893882.db2.gz CLWNPTIISRQPTH-SFHVURJKSA-N 2 0 332.536 3.467 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784052 461894472 /nfs/dbraw/zinc/89/44/72/461894472.db2.gz YAKISYGJQYTKSL-RDJZCZTQSA-N 2 0 335.517 3.206 20 0 EGADRP Fc1ccc(-n2nccc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785279 461895065 /nfs/dbraw/zinc/89/50/65/461895065.db2.gz GMOYLRDUHHSCCL-KRWDZBQOSA-N 2 0 342.462 3.223 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc(-c4ccco4)n3)C2)C1 ZINC000650706160 461899183 /nfs/dbraw/zinc/89/91/83/461899183.db2.gz FMVMQWIBEWWBGE-JJRVBVJISA-N 2 0 347.484 3.121 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650706278 461899982 /nfs/dbraw/zinc/89/99/82/461899982.db2.gz HTMGGAYPOKNGOQ-MPGHIAIKSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000650707537 461902088 /nfs/dbraw/zinc/90/20/88/461902088.db2.gz HZTIMBCDWZDXHG-ZVDOUQERSA-N 2 0 344.499 3.194 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654901 461904522 /nfs/dbraw/zinc/90/45/22/461904522.db2.gz CUYBBQMFTALFLN-NRFANRHFSA-N 2 0 337.467 3.196 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CCOc1ccc(F)cc1Cl)C2 ZINC000660663397 461912392 /nfs/dbraw/zinc/91/23/92/461912392.db2.gz NSZGXNAICCDDGZ-QGZVFWFLSA-N 2 0 326.843 3.276 20 0 EGADRP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975448 461917326 /nfs/dbraw/zinc/91/73/26/461917326.db2.gz AKPJGNRAYALCON-IPMKNSEASA-N 2 0 343.515 3.140 20 0 EGADRP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975743 461917566 /nfs/dbraw/zinc/91/75/66/461917566.db2.gz FKCQFHMLOSCOSN-IRXDYDNUSA-N 2 0 340.471 3.257 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000647976498 461918329 /nfs/dbraw/zinc/91/83/29/461918329.db2.gz POCYLLADVSFFJC-FHWLQOOXSA-N 2 0 343.515 3.342 20 0 EGADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976328 461918414 /nfs/dbraw/zinc/91/84/14/461918414.db2.gz NCCHGPKYLNBNAB-RTBURBONSA-N 2 0 343.515 3.208 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000647976510 461918982 /nfs/dbraw/zinc/91/89/82/461918982.db2.gz POXDCDIQEQYEES-HZPDHXFCSA-N 2 0 349.906 3.380 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc2cccnc12 ZINC000667041684 461925240 /nfs/dbraw/zinc/92/52/40/461925240.db2.gz HACSQTLURZGHEE-FPOVZHCZSA-N 2 0 339.483 3.262 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000644563149 461986113 /nfs/dbraw/zinc/98/61/13/461986113.db2.gz NVAWEPSLPBYCBI-LPHOPBHVSA-N 2 0 348.531 3.044 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657310903 462033909 /nfs/dbraw/zinc/03/39/09/462033909.db2.gz RMSJYYHDGRDTGB-KRWDZBQOSA-N 2 0 338.499 3.351 20 0 EGADRP CCc1cccc2cc(C[NH2+]C[C@@H](C)N3CC[NH+](CC)CC3)oc21 ZINC000657309510 462034783 /nfs/dbraw/zinc/03/47/83/462034783.db2.gz FCXNDTQLPOCAMR-MRXNPFEDSA-N 2 0 329.488 3.111 20 0 EGADRP CC(C)n1ccnc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000657329640 462051510 /nfs/dbraw/zinc/05/15/10/462051510.db2.gz TZHCHLHPWBIBCA-UHFFFAOYSA-N 2 0 326.488 3.466 20 0 EGADRP CCO[C@H](C)c1nc(CN2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639682669 462055938 /nfs/dbraw/zinc/05/59/38/462055938.db2.gz IIKNVVOUSVJBSE-OAHLLOKOSA-N 2 0 346.500 3.348 20 0 EGADRP COCc1csc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000657337262 462056755 /nfs/dbraw/zinc/05/67/55/462056755.db2.gz OGJZAGCCRKQVTF-UHFFFAOYSA-N 2 0 334.485 3.125 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000657449808 462131979 /nfs/dbraw/zinc/13/19/79/462131979.db2.gz FKILWEDRVSXBFB-MRXNPFEDSA-N 2 0 332.488 3.064 20 0 EGADRP CCCn1nccc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620731 462177572 /nfs/dbraw/zinc/17/75/72/462177572.db2.gz MRDGADDCJCBEHY-LJQANCHMSA-N 2 0 326.488 3.247 20 0 EGADRP Fc1cccc(F)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612325 462204557 /nfs/dbraw/zinc/20/45/57/462204557.db2.gz MJGPQOUDMJWTPJ-UHFFFAOYSA-N 2 0 331.410 3.362 20 0 EGADRP c1c2ccncc2sc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000667675266 462207101 /nfs/dbraw/zinc/20/71/01/462207101.db2.gz CJMGONKJQGFGLG-UHFFFAOYSA-N 2 0 345.512 3.373 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000667729787 462234757 /nfs/dbraw/zinc/23/47/57/462234757.db2.gz VSACUDBIOLSCFK-GOSISDBHSA-N 2 0 344.503 3.265 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731258 462236156 /nfs/dbraw/zinc/23/61/56/462236156.db2.gz OPWNHNUDBWHNDE-BEFAXECRSA-N 2 0 338.455 3.102 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000667735277 462237954 /nfs/dbraw/zinc/23/79/54/462237954.db2.gz PBWFBINCWGMCIK-UHFFFAOYSA-N 2 0 344.503 3.313 20 0 EGADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000648737975 462254439 /nfs/dbraw/zinc/25/44/39/462254439.db2.gz SWUPZPKSZOAXDT-FRQCXROJSA-N 2 0 329.488 3.340 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640099035 462257156 /nfs/dbraw/zinc/25/71/56/462257156.db2.gz HCOZTVKOMMTARY-ZCNNSNEGSA-N 2 0 325.456 3.306 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000667792520 462264629 /nfs/dbraw/zinc/26/46/29/462264629.db2.gz BIWAQLGIAWWTJV-HLAWJBBLSA-N 2 0 327.516 3.367 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(COC[C@@H]2CCCO2)c1 ZINC000657802630 462274054 /nfs/dbraw/zinc/27/40/54/462274054.db2.gz COVNHTKVTNLAAP-HKBOAZHASA-N 2 0 344.499 3.099 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000648784304 462276290 /nfs/dbraw/zinc/27/62/90/462276290.db2.gz LITQAYKPNRWXNP-ZHALLVOQSA-N 2 0 345.531 3.352 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657837900 462291175 /nfs/dbraw/zinc/29/11/75/462291175.db2.gz XDOSXUIVFUJOFR-RTBURBONSA-N 2 0 343.559 3.112 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000654588024 462298222 /nfs/dbraw/zinc/29/82/22/462298222.db2.gz KUIXGIOKDOKBAP-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](NC[C@@H](O)C[NH+](C)C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657876050 462304449 /nfs/dbraw/zinc/30/44/49/462304449.db2.gz TZYVQARWHGPLPB-ABSDTBQOSA-N 2 0 342.483 3.400 20 0 EGADRP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000657885276 462307703 /nfs/dbraw/zinc/30/77/03/462307703.db2.gz DBSQGXVDWKHTPH-MSOLQXFVSA-N 2 0 332.532 3.423 20 0 EGADRP Cc1cccc2c1[nH+]cc(C)c2N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645385371 462308052 /nfs/dbraw/zinc/30/80/52/462308052.db2.gz JUCNNVSGWYUNHW-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000657976866 462334681 /nfs/dbraw/zinc/33/46/81/462334681.db2.gz UREMJQPHQPDVMI-APWZRJJASA-N 2 0 337.939 3.277 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237587 462363493 /nfs/dbraw/zinc/36/34/93/462363493.db2.gz FFEPNCLJMQKMNO-BDJLRTHQSA-N 2 0 345.409 3.389 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658071596 462367948 /nfs/dbraw/zinc/36/79/48/462367948.db2.gz XNVITJMQAANIEZ-MOPGFXCFSA-N 2 0 338.536 3.059 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277144 462380096 /nfs/dbraw/zinc/38/00/96/462380096.db2.gz UVJXYABXAHCMPR-VAMGGRTRSA-N 2 0 327.516 3.148 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000665293757 462389225 /nfs/dbraw/zinc/38/92/25/462389225.db2.gz CBGIGPJQJVLOED-HIFRSBDPSA-N 2 0 346.862 3.110 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658167822 462417116 /nfs/dbraw/zinc/41/71/16/462417116.db2.gz ULZBJEQNQYCHTB-RBUKOAKNSA-N 2 0 331.504 3.087 20 0 EGADRP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000658213761 462431254 /nfs/dbraw/zinc/43/12/54/462431254.db2.gz TYRSCWXPBGDKPJ-HNNXBMFYSA-N 2 0 342.487 3.089 20 0 EGADRP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640533814 462431926 /nfs/dbraw/zinc/43/19/26/462431926.db2.gz WJYUOWZNAMIODA-KRWDZBQOSA-N 2 0 347.503 3.220 20 0 EGADRP OC[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC1CC1 ZINC000658257298 462445428 /nfs/dbraw/zinc/44/54/28/462445428.db2.gz ZLDYAXYHIYVFIO-MXEMCNAFSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649291041 462469150 /nfs/dbraw/zinc/46/91/50/462469150.db2.gz BTISREUQYOFBQH-IRXDYDNUSA-N 2 0 345.531 3.298 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000649302995 462472618 /nfs/dbraw/zinc/47/26/18/462472618.db2.gz NCGBEQLZTPRHRI-MSOLQXFVSA-N 2 0 345.874 3.067 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000167620384 533783249 /nfs/dbraw/zinc/78/32/49/533783249.db2.gz HEUQEYIPVMXQNW-HNNXBMFYSA-N 2 0 325.456 3.005 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccn1 ZINC000183498426 533871016 /nfs/dbraw/zinc/87/10/16/533871016.db2.gz NIOPCEZRBOOZES-SFHVURJKSA-N 2 0 339.483 3.450 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132439750 534427773 /nfs/dbraw/zinc/42/77/73/534427773.db2.gz VCFPVXZJVNWEOD-UXHICEINSA-N 2 0 345.531 3.070 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191523246 528038005 /nfs/dbraw/zinc/03/80/05/528038005.db2.gz YDAHXWXCZXKXFZ-NVXWUHKLSA-N 2 0 338.517 3.179 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000181917883 528096800 /nfs/dbraw/zinc/09/68/00/528096800.db2.gz RQGQIYCKVSCJMC-MOPGFXCFSA-N 2 0 329.488 3.235 20 0 EGADRP CC[NH+](CC)CCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132672354 528112182 /nfs/dbraw/zinc/11/21/82/528112182.db2.gz FCJAPTYIBKNGCQ-UHFFFAOYSA-N 2 0 346.563 3.039 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000164496191 528462381 /nfs/dbraw/zinc/46/23/81/528462381.db2.gz VARBKYFMIPOXJT-MRXNPFEDSA-N 2 0 327.476 3.182 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000177877468 528551113 /nfs/dbraw/zinc/55/11/13/528551113.db2.gz APGULFRXZKTHLX-BXWFABGCSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)C[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000132411796 528571197 /nfs/dbraw/zinc/57/11/97/528571197.db2.gz MGCZITPIJAQGIN-PMACEKPBSA-N 2 0 332.536 3.030 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000174119892 528772565 /nfs/dbraw/zinc/77/25/65/528772565.db2.gz MDMPXGREAXCSMT-HXUWFJFHSA-N 2 0 345.531 3.473 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000154883344 528836112 /nfs/dbraw/zinc/83/61/12/528836112.db2.gz QBSQAZFXYIUAPW-IBGZPJMESA-N 2 0 326.488 3.428 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)N1CC[NH+](C)CC1 ZINC000132466089 529014012 /nfs/dbraw/zinc/01/40/12/529014012.db2.gz PPKYOAYLDVLMLN-GUYCJALGSA-N 2 0 343.437 3.027 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000191502205 529042119 /nfs/dbraw/zinc/04/21/19/529042119.db2.gz VQWCXTMNLSWTEN-UYAOXDASSA-N 2 0 347.522 3.420 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000191391091 529042556 /nfs/dbraw/zinc/04/25/56/529042556.db2.gz BUSFFTSSMPVCNL-UHFFFAOYSA-N 2 0 333.495 3.206 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000178005686 529143554 /nfs/dbraw/zinc/14/35/54/529143554.db2.gz PAEMZKFRENNTSY-GOSISDBHSA-N 2 0 340.515 3.303 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000154484290 529143622 /nfs/dbraw/zinc/14/36/22/529143622.db2.gz UXQVTARQZIDJIK-SFHVURJKSA-N 2 0 333.520 3.072 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000154458446 529143723 /nfs/dbraw/zinc/14/37/23/529143723.db2.gz VYVIHCKOTQFBEJ-HNNXBMFYSA-N 2 0 325.447 3.033 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(Cl)s1 ZINC000154318661 529161259 /nfs/dbraw/zinc/16/12/59/529161259.db2.gz RSPCIXXLXGMOAG-CQSZACIVSA-N 2 0 329.941 3.470 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000268826836 535525912 /nfs/dbraw/zinc/52/59/12/535525912.db2.gz BEDGRBDOIWEWIZ-HLIPFELVSA-N 2 0 334.504 3.050 20 0 EGADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000265044921 535965272 /nfs/dbraw/zinc/96/52/72/535965272.db2.gz NXSLATVHAPGMOZ-MRXNPFEDSA-N 2 0 325.456 3.052 20 0 EGADRP COC1(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000359698267 536675324 /nfs/dbraw/zinc/67/53/24/536675324.db2.gz FMKGWBQZCYJQNH-UHFFFAOYSA-N 2 0 346.515 3.253 20 0 EGADRP C[N@H+](CCCOCC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109998 546584174 /nfs/dbraw/zinc/58/41/74/546584174.db2.gz WPQIGUOXUJWLTB-KRWDZBQOSA-N 2 0 344.421 3.409 20 0 EGADRP C[C@H]([NH2+]CCOc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000089516696 546645387 /nfs/dbraw/zinc/64/53/87/546645387.db2.gz DVSRFDGXFYTRCZ-ZDUSSCGKSA-N 2 0 341.293 3.148 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000090403715 546655399 /nfs/dbraw/zinc/65/53/99/546655399.db2.gz KIQNULYFOONQPM-OAHLLOKOSA-N 2 0 344.528 3.050 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000125041372 546749778 /nfs/dbraw/zinc/74/97/78/546749778.db2.gz SFCXUPMKJFEPSB-RXVVDRJESA-N 2 0 329.532 3.452 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000126766209 546762212 /nfs/dbraw/zinc/76/22/12/546762212.db2.gz IBXNCHFEANJJGI-KRWDZBQOSA-N 2 0 335.561 3.424 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904637 546763258 /nfs/dbraw/zinc/76/32/58/546763258.db2.gz GXSZBARNZJRSAL-DLBZAZTESA-N 2 0 335.561 3.280 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000161636861 546957754 /nfs/dbraw/zinc/95/77/54/546957754.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000339229357 547571660 /nfs/dbraw/zinc/57/16/60/547571660.db2.gz GZSIJOMAUGUCHW-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371251925 547796994 /nfs/dbraw/zinc/79/69/94/547796994.db2.gz RGCUTCXXFQGUKI-KURKYZTESA-N 2 0 332.488 3.241 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371251924 547797710 /nfs/dbraw/zinc/79/77/10/547797710.db2.gz RGCUTCXXFQGUKI-FGTMMUONSA-N 2 0 332.488 3.241 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383508327 547821393 /nfs/dbraw/zinc/82/13/93/547821393.db2.gz KQZYVBBTRPMZRS-UEXGIBASSA-N 3 0 329.532 3.217 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414900665 547860393 /nfs/dbraw/zinc/86/03/93/547860393.db2.gz WIUZWFQPONZWJL-XWPNQZOQSA-N 2 0 333.495 3.172 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459438469 547942615 /nfs/dbraw/zinc/94/26/15/547942615.db2.gz HPZWQPIJHHRKRT-SFTDATJTSA-N 2 0 328.500 3.422 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463115915 547945002 /nfs/dbraw/zinc/94/50/02/547945002.db2.gz NVWKKBZQUAYKGP-QGZVFWFLSA-N 2 0 335.511 3.153 20 0 EGADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000671194621 548259661 /nfs/dbraw/zinc/25/96/61/548259661.db2.gz SUYDWQJNSVASIH-XLIONFOSSA-N 2 0 332.488 3.207 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCOC[C@H]2CCOC2)CC1 ZINC000671746829 548351265 /nfs/dbraw/zinc/35/12/65/548351265.db2.gz NLZACVUGURZHMB-MWXLCCTBSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000673962343 548663058 /nfs/dbraw/zinc/66/30/58/548663058.db2.gz LMALLDWLWICJLT-QRWLVFNGSA-N 2 0 326.440 3.239 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1F ZINC000675743141 548972838 /nfs/dbraw/zinc/97/28/38/548972838.db2.gz ZYLMSJLDPLIRAF-AWEZNQCLSA-N 2 0 339.524 3.224 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000675743438 548972880 /nfs/dbraw/zinc/97/28/80/548972880.db2.gz KCNSXPPWWOPYNF-PXNSSMCTSA-N 2 0 338.499 3.148 20 0 EGADRP Cc1csc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000675748127 548973480 /nfs/dbraw/zinc/97/34/80/548973480.db2.gz BDVMDBUMLDJWQV-HNNXBMFYSA-N 2 0 333.501 3.285 20 0 EGADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)cc1 ZINC000675876630 548995124 /nfs/dbraw/zinc/99/51/24/548995124.db2.gz YGDJCTOIJZEJOG-IRLDBZIGSA-N 2 0 343.559 3.320 20 0 EGADRP CCc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000676876692 549170508 /nfs/dbraw/zinc/17/05/08/549170508.db2.gz DKSQLQRNKGUBDD-QGZVFWFLSA-N 2 0 325.456 3.098 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000677237976 549234680 /nfs/dbraw/zinc/23/46/80/549234680.db2.gz SPORKHUWCBIOHI-SUMDDJOVSA-N 2 0 333.907 3.383 20 0 EGADRP CC(C)[N@@H+]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678120654 549400820 /nfs/dbraw/zinc/40/08/20/549400820.db2.gz WTMHNPISYTUZPT-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CN(C)c1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000678139319 549408196 /nfs/dbraw/zinc/40/81/96/549408196.db2.gz RAALBYZZTPVKFI-UHFFFAOYSA-N 2 0 330.520 3.236 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678195334 549422317 /nfs/dbraw/zinc/42/23/17/549422317.db2.gz PUZREOVNKKVZPX-UHFFFAOYSA-N 3 0 347.547 3.179 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678286379 549460232 /nfs/dbraw/zinc/46/02/32/549460232.db2.gz SOCZPKQHDYWQTF-DYESRHJHSA-N 2 0 327.516 3.022 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CC[N@H+](C)CC23CCCCC3)cc1 ZINC000678296610 549463609 /nfs/dbraw/zinc/46/36/09/549463609.db2.gz BOPNZKNADAZNRI-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000678585902 549524361 /nfs/dbraw/zinc/52/43/61/549524361.db2.gz PXQMUDIZQRDYMU-JRGCBEDISA-N 2 0 346.515 3.027 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000678769647 549557352 /nfs/dbraw/zinc/55/73/52/549557352.db2.gz YLLBBDODTZLSMC-DYESRHJHSA-N 2 0 329.532 3.173 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000678775016 549559120 /nfs/dbraw/zinc/55/91/20/549559120.db2.gz XDDXQIVUWJCFAT-IIBYNOLFSA-N 2 0 339.483 3.435 20 0 EGADRP CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000679028599 549619610 /nfs/dbraw/zinc/61/96/10/549619610.db2.gz VGMYQZBLTZKERT-ICSRJNTNSA-N 2 0 334.504 3.310 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(O)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000679394263 549703793 /nfs/dbraw/zinc/70/37/93/549703793.db2.gz MGDADFXTHAIIQI-HNNXBMFYSA-N 2 0 343.446 3.134 20 0 EGADRP Oc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000679398068 549704891 /nfs/dbraw/zinc/70/48/91/549704891.db2.gz FUYLFKFARCUGSK-UHFFFAOYSA-N 2 0 340.467 3.199 20 0 EGADRP C[C@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO[C@@H]1C1CC1 ZINC000680150091 549827761 /nfs/dbraw/zinc/82/77/61/549827761.db2.gz XGTVDEXNGFXCJQ-RTWAWAEBSA-N 2 0 344.499 3.208 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000680352259 549854111 /nfs/dbraw/zinc/85/41/11/549854111.db2.gz MUCLSAGUBLXUOX-MHTWAQMVSA-N 2 0 328.500 3.302 20 0 EGADRP COC[C@@H]1CCCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681084641 549952591 /nfs/dbraw/zinc/95/25/91/549952591.db2.gz SMMCVPHPTFVXHH-HXUWFJFHSA-N 2 0 346.515 3.410 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000681237541 549971486 /nfs/dbraw/zinc/97/14/86/549971486.db2.gz JIKPEWGMAUWNAX-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000681256384 549973958 /nfs/dbraw/zinc/97/39/58/549973958.db2.gz JDSQMTYIOCRGOB-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000681256385 549974057 /nfs/dbraw/zinc/97/40/57/549974057.db2.gz JDSQMTYIOCRGOB-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1cccc(Cl)c1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682730764 550137256 /nfs/dbraw/zinc/13/72/56/550137256.db2.gz OJLNDGIRHJJZHE-INIZCTEOSA-N 2 0 335.923 3.161 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000683690196 550254240 /nfs/dbraw/zinc/25/42/40/550254240.db2.gz YSOCGBBVKRAFIM-UXHICEINSA-N 2 0 329.532 3.487 20 0 EGADRP c1c2ccccc2[nH]c1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000683925572 550274377 /nfs/dbraw/zinc/27/43/77/550274377.db2.gz NQJWHIUHWXXONE-UHFFFAOYSA-N 2 0 348.494 3.075 20 0 EGADRP CC(C)(C)[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000684145659 550296006 /nfs/dbraw/zinc/29/60/06/550296006.db2.gz NSLGCDMQEAZCED-HXUWFJFHSA-N 2 0 346.515 3.408 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CCC2CCCCCC2)cc1 ZINC000685426036 550415700 /nfs/dbraw/zinc/41/57/00/550415700.db2.gz FQQNTPBCCLHXFB-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000728572102 574759248 /nfs/dbraw/zinc/75/92/48/574759248.db2.gz RDIQRDYMTMWDES-GOSISDBHSA-N 2 0 326.431 3.050 20 0 EGADRP Fc1ccc2c(NC3CC[NH+](C[C@H]4CCCO4)CC3)cc[nH+]c2c1 ZINC000733299760 575326095 /nfs/dbraw/zinc/32/60/95/575326095.db2.gz IXJFFHFFYNPMQX-MRXNPFEDSA-N 2 0 329.419 3.429 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323679 576254044 /nfs/dbraw/zinc/25/40/44/576254044.db2.gz BSFDKMLAHFKYHB-QUCCMNQESA-N 3 0 329.532 3.219 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920978 1303194315 /nfs/dbraw/zinc/19/43/15/1303194315.db2.gz SHBSNUMUGPIWML-SJORKVTESA-N 2 0 339.524 3.144 20 0 EGADRP Cc1cc(C)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(C)c1 ZINC000066877020 1292131916 /nfs/dbraw/zinc/13/19/16/1292131916.db2.gz XBLCXQORNHHHHD-UHFFFAOYSA-N 2 0 338.499 3.048 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH+](CC)CC)CC1)c1ccccc1 ZINC000067306166 1292158207 /nfs/dbraw/zinc/15/82/07/1292158207.db2.gz HLQQHSOCYTZQEG-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000067671741 1292167330 /nfs/dbraw/zinc/16/73/30/1292167330.db2.gz YKTAPYPWUWKVSN-CYBMUJFWSA-N 2 0 330.303 3.109 20 0 EGADRP CCOc1cccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000069708054 1292249293 /nfs/dbraw/zinc/24/92/93/1292249293.db2.gz FIIVSDLQSQBQFB-UHFFFAOYSA-N 2 0 328.456 3.316 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000072630402 1292283971 /nfs/dbraw/zinc/28/39/71/1292283971.db2.gz QDSZXBHSBFBHHF-UHFFFAOYSA-N 2 0 335.467 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000073106170 1292306832 /nfs/dbraw/zinc/30/68/32/1292306832.db2.gz MVVQWHMDZXXEQJ-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCSCC3)CC2)c1 ZINC000075755960 1292407410 /nfs/dbraw/zinc/40/74/10/1292407410.db2.gz FGSQTHAGIHFQEK-UHFFFAOYSA-N 2 0 347.572 3.382 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000075763042 1292409334 /nfs/dbraw/zinc/40/93/34/1292409334.db2.gz ZKGCVOHRNIXLLT-KRWDZBQOSA-N 2 0 343.437 3.067 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000077326851 1292460248 /nfs/dbraw/zinc/46/02/48/1292460248.db2.gz WKJXPCFHZDELCM-KRWDZBQOSA-N 2 0 344.330 3.355 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1C#N ZINC000080374381 1292597781 /nfs/dbraw/zinc/59/77/81/1292597781.db2.gz UKNHQXNDOQMFMM-UHFFFAOYSA-N 2 0 329.488 3.415 20 0 EGADRP CCc1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000080374379 1292597969 /nfs/dbraw/zinc/59/79/69/1292597969.db2.gz BHWYLCBPKGJCNO-UHFFFAOYSA-N 2 0 340.943 3.484 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000829773546 1292618570 /nfs/dbraw/zinc/61/85/70/1292618570.db2.gz FRMMJQUHDDGIBP-MRXNPFEDSA-N 2 0 337.467 3.101 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H]3CN(CC[NH+]4CCCC4)CC[C@@H]32)cc1 ZINC000089910009 1292781139 /nfs/dbraw/zinc/78/11/39/1292781139.db2.gz SNRCKPQJDSHCJM-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)C[NH+]1CCCCC1 ZINC000093063369 1292905242 /nfs/dbraw/zinc/90/52/42/1292905242.db2.gz TVXUWEABQNOHSJ-QGZVFWFLSA-N 2 0 326.488 3.299 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000834566325 1293117630 /nfs/dbraw/zinc/11/76/30/1293117630.db2.gz JYEQUYQWHJLAQR-JTQLQIEISA-N 2 0 332.311 3.288 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000834911473 1293174183 /nfs/dbraw/zinc/17/41/83/1293174183.db2.gz ZBDTUMXDOGUSGC-OAHLLOKOSA-N 2 0 331.460 3.168 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000119782364 1293287377 /nfs/dbraw/zinc/28/73/77/1293287377.db2.gz SKINAMWEEQUXQQ-PMACEKPBSA-N 2 0 332.488 3.208 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000119782838 1293287811 /nfs/dbraw/zinc/28/78/11/1293287811.db2.gz SKINAMWEEQUXQQ-WOJBJXKFSA-N 2 0 332.488 3.208 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)cc(Cl)cc2C)CC1 ZINC000120120573 1293306500 /nfs/dbraw/zinc/30/65/00/1293306500.db2.gz WPONRLCLPPDVHU-HNNXBMFYSA-N 2 0 337.939 3.320 20 0 EGADRP CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000121371478 1293367988 /nfs/dbraw/zinc/36/79/88/1293367988.db2.gz ZMAWXVUBQWZACL-SFHVURJKSA-N 2 0 334.504 3.048 20 0 EGADRP Cc1cc(C)c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000136230448 1293812522 /nfs/dbraw/zinc/81/25/22/1293812522.db2.gz NQRLRUFZUWGIMD-UHFFFAOYSA-N 2 0 327.472 3.237 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc2c(c1)CCCO2 ZINC000154184238 1294044657 /nfs/dbraw/zinc/04/46/57/1294044657.db2.gz VYVMIYFIONMZOW-RTBURBONSA-N 2 0 334.504 3.409 20 0 EGADRP CCC[C@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155077675 1294082969 /nfs/dbraw/zinc/08/29/69/1294082969.db2.gz RZAADVFYMCUZRH-IBGZPJMESA-N 2 0 335.536 3.181 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCCCC[NH3+] ZINC000155597010 1294106013 /nfs/dbraw/zinc/10/60/13/1294106013.db2.gz LEVVSKJHOSZZAA-UHFFFAOYSA-N 2 0 335.517 3.001 20 0 EGADRP c1nc2cnccn2c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000156571337 1294149319 /nfs/dbraw/zinc/14/93/19/1294149319.db2.gz MDMPIYGNLFLURX-UHFFFAOYSA-N 2 0 335.455 3.005 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)cc1C[NH+]1CCCCC1 ZINC000189300859 1295513759 /nfs/dbraw/zinc/51/37/59/1295513759.db2.gz XMNKYYOZIUPIPC-QKLQHJQFSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000870891680 1296131189 /nfs/dbraw/zinc/13/11/89/1296131189.db2.gz HPHFZXNGLADZOK-IJXRJRJASA-N 2 0 343.515 3.015 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCN(CC)C(=O)OC(C)(C)C)CC1 ZINC000223169986 1296131670 /nfs/dbraw/zinc/13/16/70/1296131670.db2.gz INHNJJZUBPILOV-UHFFFAOYSA-N 2 0 327.513 3.098 20 0 EGADRP CC(C)N(C)CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000223976395 1296133625 /nfs/dbraw/zinc/13/36/25/1296133625.db2.gz BGJFGPSROVACPA-HZPDHXFCSA-N 2 0 327.513 3.094 20 0 EGADRP CC(C)N(C)CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000223976334 1296133756 /nfs/dbraw/zinc/13/37/56/1296133756.db2.gz BGJFGPSROVACPA-JKSUJKDBSA-N 2 0 327.513 3.094 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870931647 1296144186 /nfs/dbraw/zinc/14/41/86/1296144186.db2.gz JAMPVWGHZQFKKP-MSEWRSJXSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000237453903 1296244192 /nfs/dbraw/zinc/24/41/92/1296244192.db2.gz IDDFJTQJKNLCCT-IAGOWNOFSA-N 2 0 341.540 3.486 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C[C@H](C)O1 ZINC000237609950 1296251920 /nfs/dbraw/zinc/25/19/20/1296251920.db2.gz RXNOYKWBHAMSQT-IRXDYDNUSA-N 2 0 346.515 3.379 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237677152 1296256624 /nfs/dbraw/zinc/25/66/24/1296256624.db2.gz CFDIREJCBYJDQM-IAGOWNOFSA-N 2 0 339.524 3.240 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245942191 1296332699 /nfs/dbraw/zinc/33/26/99/1296332699.db2.gz JZHGMTXZBHPSPH-YYIAUSFCSA-N 2 0 339.524 3.142 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000248147862 1296406399 /nfs/dbraw/zinc/40/63/99/1296406399.db2.gz FPPNPBXZDUJIST-DLBZAZTESA-N 2 0 335.492 3.043 20 0 EGADRP c1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538134 1296594513 /nfs/dbraw/zinc/59/45/13/1296594513.db2.gz FLMVYEGTOHRYBY-NJDAHSKKSA-N 2 0 327.516 3.161 20 0 EGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538112 1296594652 /nfs/dbraw/zinc/59/46/52/1296594652.db2.gz DBDITEGQVUEKTA-XSDIEEQYSA-N 2 0 327.516 3.161 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000261737608 1296601527 /nfs/dbraw/zinc/60/15/27/1296601527.db2.gz SJNNUEZCZGSDNT-IBGZPJMESA-N 2 0 340.471 3.350 20 0 EGADRP c1cc(COc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2)ccn1 ZINC000261967267 1296613026 /nfs/dbraw/zinc/61/30/26/1296613026.db2.gz HXECVNIKALLCFE-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)Sc2ccccc21)N1CC[NH+](C)CC1 ZINC000872033730 1296682686 /nfs/dbraw/zinc/68/26/86/1296682686.db2.gz ITFGDGWVLPLLMT-NVXWUHKLSA-N 2 0 333.545 3.228 20 0 EGADRP CC1(C)CCc2onc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2C1 ZINC000872143831 1296764989 /nfs/dbraw/zinc/76/49/89/1296764989.db2.gz XWDDZLAGFYRDEC-JKSUJKDBSA-N 2 0 331.504 3.401 20 0 EGADRP Clc1ccc(OC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)nc1 ZINC000872146890 1296766957 /nfs/dbraw/zinc/76/69/57/1296766957.db2.gz ZUQWDJNICFDUJA-UHFFFAOYSA-N 2 0 337.895 3.358 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000301962845 1296796239 /nfs/dbraw/zinc/79/62/39/1296796239.db2.gz PJCSGZDOROVGJZ-ZACQAIPSSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000302099884 1296796730 /nfs/dbraw/zinc/79/67/30/1296796730.db2.gz BIFRPZAIEFYGJU-HZPDHXFCSA-N 2 0 339.524 3.129 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872302106 1296905336 /nfs/dbraw/zinc/90/53/36/1296905336.db2.gz OTAYCQRFNFRSKZ-RLLQIKCJSA-N 2 0 349.563 3.397 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2n2cncn2)c1 ZINC000340476874 1297314640 /nfs/dbraw/zinc/31/46/40/1297314640.db2.gz IPHTWASUMLPMAW-NSISKUIASA-N 2 0 341.503 3.249 20 0 EGADRP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccc(F)cc2)O1 ZINC000873205605 1297350349 /nfs/dbraw/zinc/35/03/49/1297350349.db2.gz PNEHJHWRDSODFX-SCLBCKFNSA-N 2 0 346.471 3.495 20 0 EGADRP COc1ccc([C@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000873204315 1297351161 /nfs/dbraw/zinc/35/11/61/1297351161.db2.gz BJWKRGANHBUBCJ-HNNXBMFYSA-N 2 0 328.481 3.392 20 0 EGADRP O[C@H](C[NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc2ccccc2c1 ZINC000873211906 1297354556 /nfs/dbraw/zinc/35/45/56/1297354556.db2.gz GXEMURZWRNPTHU-LJQANCHMSA-N 2 0 338.476 3.370 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]C[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000873260307 1297394200 /nfs/dbraw/zinc/39/42/00/1297394200.db2.gz XTXSUYPDNVIAPC-PDFPEKILSA-N 2 0 347.934 3.425 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265503 1297398089 /nfs/dbraw/zinc/39/80/89/1297398089.db2.gz VYAMFZVIOJAUBN-ZJPYXAASSA-N 2 0 332.488 3.145 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(N)cc(F)c1 ZINC000873287422 1297408950 /nfs/dbraw/zinc/40/89/50/1297408950.db2.gz DWODSRKVVNEFCS-MGPUTAFESA-N 2 0 327.447 3.408 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000873289280 1297410805 /nfs/dbraw/zinc/41/08/05/1297410805.db2.gz GJFWRPHBZKUFBF-JSGCOSHPSA-N 2 0 326.843 3.288 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290900 1297412539 /nfs/dbraw/zinc/41/25/39/1297412539.db2.gz BQJJBUWMZUIUNR-QYZOEREBSA-N 2 0 343.515 3.165 20 0 EGADRP COc1ccc([C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C(C)C)cc1 ZINC000873292298 1297414278 /nfs/dbraw/zinc/41/42/78/1297414278.db2.gz PTTYFSHZTHESJX-MOPGFXCFSA-N 2 0 332.488 3.141 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000873292893 1297414542 /nfs/dbraw/zinc/41/45/42/1297414542.db2.gz WEUHWOSTNQWUJS-UKRRQHHQSA-N 2 0 338.492 3.357 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291601 1297414607 /nfs/dbraw/zinc/41/46/07/1297414607.db2.gz LIPIANVBOGSWJJ-VQTJNVASSA-N 2 0 330.516 3.392 20 0 EGADRP Clc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc2c1OCCCO2 ZINC000378966105 1297530963 /nfs/dbraw/zinc/53/09/63/1297530963.db2.gz ZZFRMAPSEHKDKE-ZDUSSCGKSA-N 2 0 336.863 3.075 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCOC2(CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000379637662 1297534489 /nfs/dbraw/zinc/53/44/89/1297534489.db2.gz SXIPTHOKEBULOX-QUCCMNQESA-N 2 0 346.515 3.215 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCOC2(CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000379637664 1297534789 /nfs/dbraw/zinc/53/47/89/1297534789.db2.gz SXIPTHOKEBULOX-UYAOXDASSA-N 2 0 346.515 3.215 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000392071853 1297650965 /nfs/dbraw/zinc/65/09/65/1297650965.db2.gz WCXGMOQUFIOHTL-QRFRQXIXSA-N 2 0 332.488 3.235 20 0 EGADRP N#Cc1ccc([C@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397498907 1297700569 /nfs/dbraw/zinc/70/05/69/1297700569.db2.gz UABCJSYWULTPCK-JOCHJYFZSA-N 2 0 349.478 3.093 20 0 EGADRP CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559339 1297731015 /nfs/dbraw/zinc/73/10/15/1297731015.db2.gz HIUQLNUCYYRZKF-BZUAXINKSA-N 2 0 327.513 3.093 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404518637 1297754913 /nfs/dbraw/zinc/75/49/13/1297754913.db2.gz URAHURMOWARMEL-BMFAXAFESA-N 2 0 331.504 3.014 20 0 EGADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCC[NH3+] ZINC000404513038 1297755867 /nfs/dbraw/zinc/75/58/67/1297755867.db2.gz QTBPAWGBZRVFCB-RCCFBDPRSA-N 2 0 331.504 3.015 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692174667 1298141106 /nfs/dbraw/zinc/14/11/06/1298141106.db2.gz MFTMPXFRHAYYSS-HNNXBMFYSA-N 2 0 327.513 3.096 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000709648338 1298249764 /nfs/dbraw/zinc/24/97/64/1298249764.db2.gz ZRJRWHNHXGVFAQ-VAMGGRTRSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000711105439 1298260286 /nfs/dbraw/zinc/26/02/86/1298260286.db2.gz HNNVRHDLMOFVKO-JEIKXUOUSA-N 2 0 343.515 3.014 20 0 EGADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000717501618 1298302961 /nfs/dbraw/zinc/30/29/61/1298302961.db2.gz FTSIYBOWPZCWSB-FXAWDEMLSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000719416367 1298316066 /nfs/dbraw/zinc/31/60/66/1298316066.db2.gz ZBIPEDQRCGIQQN-XIRDDKMYSA-N 2 0 344.421 3.298 20 0 EGADRP Clc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000876968708 1299093812 /nfs/dbraw/zinc/09/38/12/1299093812.db2.gz JRDRNGZBVPNOGR-UHFFFAOYSA-N 2 0 330.863 3.132 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc(Cl)c2N)cc1 ZINC000877013853 1299113527 /nfs/dbraw/zinc/11/35/27/1299113527.db2.gz HVDTYZDOGRYPRP-UHFFFAOYSA-N 2 0 347.890 3.195 20 0 EGADRP C[C@H]1C[C@@H](NCc2ccc(Cl)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000877076202 1299147150 /nfs/dbraw/zinc/14/71/50/1299147150.db2.gz NVIUZMGWGMZCFH-HOCLYGCPSA-N 2 0 330.863 3.273 20 0 EGADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)c1ccccc1 ZINC000877451046 1299310271 /nfs/dbraw/zinc/31/02/71/1299310271.db2.gz IVGTZNSSJWFGOU-NBHGPNQESA-N 2 0 343.515 3.007 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877452994 1299311847 /nfs/dbraw/zinc/31/18/47/1299311847.db2.gz UYFWGQIWMBNCKR-ZMMAXQRCSA-N 2 0 335.536 3.005 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000877451656 1299312060 /nfs/dbraw/zinc/31/20/60/1299312060.db2.gz LRRHOEATNSJHTJ-FXAWDEMLSA-N 2 0 349.563 3.253 20 0 EGADRP O=C1CC[C@@H](C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)O1 ZINC000878815090 1300208009 /nfs/dbraw/zinc/20/80/09/1300208009.db2.gz CKTSIXNWWZDCBO-IBGZPJMESA-N 2 0 342.483 3.070 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568886 1300607427 /nfs/dbraw/zinc/60/74/27/1300607427.db2.gz FICZXNNFGCNVES-CTNGQTDRSA-N 2 0 349.478 3.465 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(Br)ncc2F)CC1 ZINC000762750494 1301741259 /nfs/dbraw/zinc/74/12/59/1301741259.db2.gz WIMDRSBILDVGBM-NSHDSACASA-N 2 0 344.272 3.366 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000764662704 1302113006 /nfs/dbraw/zinc/11/30/06/1302113006.db2.gz PXOLTINPQFAHAP-UHFFFAOYSA-N 2 0 344.547 3.187 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000765680525 1302305874 /nfs/dbraw/zinc/30/58/74/1302305874.db2.gz DNLWMNRTDRIVAN-MJGOQNOKSA-N 2 0 349.588 3.485 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883435407 1302443811 /nfs/dbraw/zinc/44/38/11/1302443811.db2.gz SDOJJGAHFSICHE-SYAJIYQZSA-N 2 0 344.499 3.268 20 0 EGADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000884214032 1302772821 /nfs/dbraw/zinc/77/28/21/1302772821.db2.gz ROYQJWPHYGUQCX-VQIMIIECSA-N 2 0 345.531 3.338 20 0 EGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000884214029 1302773531 /nfs/dbraw/zinc/77/35/31/1302773531.db2.gz ROYQJWPHYGUQCX-APWZRJJASA-N 2 0 345.531 3.338 20 0 EGADRP C[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000769685176 1303157681 /nfs/dbraw/zinc/15/76/81/1303157681.db2.gz QTHJKLBJUOOUBL-ZACQAIPSSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC000769681299 1303157713 /nfs/dbraw/zinc/15/77/13/1303157713.db2.gz OJFNYICPAGIITM-IRXDYDNUSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H]1COCC[NH+]1CCCCCCCCC[N@H+]1CCOC[C@H]1C ZINC000769914420 1303192015 /nfs/dbraw/zinc/19/20/15/1303192015.db2.gz ZQRAOGAQQRAUSO-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885908147 1303272132 /nfs/dbraw/zinc/27/21/32/1303272132.db2.gz LAZYIFMLVZIIBR-FQEVSTJZSA-N 2 0 346.515 3.346 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885937767 1303286438 /nfs/dbraw/zinc/28/64/38/1303286438.db2.gz JOMVPMHTEYLNFR-FGTMMUONSA-N 2 0 338.536 3.061 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)CC1 ZINC000885955796 1303297047 /nfs/dbraw/zinc/29/70/47/1303297047.db2.gz BBZBLCSZYHUSQW-LJQANCHMSA-N 2 0 349.563 3.017 20 0 EGADRP C[NH+](Cc1ccns1)[C@H]1CC[C@H]([N@H+](C)Cc2ccns2)CC1 ZINC000886389356 1303453931 /nfs/dbraw/zinc/45/39/31/1303453931.db2.gz GTSCBOJZPSDIQQ-HDJSIYSDSA-N 2 0 336.530 3.475 20 0 EGADRP CC1(C(=O)OCC[NH+]2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000772717002 1303566785 /nfs/dbraw/zinc/56/67/85/1303566785.db2.gz DJEGEHIFPFLASX-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCC2OCCCO2)CC1)CC(C)C ZINC000773733403 1303730938 /nfs/dbraw/zinc/73/09/38/1303730938.db2.gz JERDPJLAFCPXFO-UHFFFAOYSA-N 2 0 326.525 3.220 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775374374 1303948753 /nfs/dbraw/zinc/94/87/53/1303948753.db2.gz BGXNZMGWJUIRTK-ZACQAIPSSA-N 2 0 328.591 3.468 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000775687150 1304015847 /nfs/dbraw/zinc/01/58/47/1304015847.db2.gz OJKBYADOCNDLNA-PXNSSMCTSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000775687151 1304015980 /nfs/dbraw/zinc/01/59/80/1304015980.db2.gz OJKBYADOCNDLNA-XLIONFOSSA-N 2 0 338.499 3.148 20 0 EGADRP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000781422958 1304826536 /nfs/dbraw/zinc/82/65/36/1304826536.db2.gz NVFOZCCUWBVPKI-DUXKGJEZSA-N 2 0 338.499 3.362 20 0 EGADRP CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000781896587 1304888096 /nfs/dbraw/zinc/88/80/96/1304888096.db2.gz IJUVJFRKVCXCQO-IBGZPJMESA-N 2 0 341.540 3.391 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC1CC[NH+](C)CC1 ZINC000891779381 1305162843 /nfs/dbraw/zinc/16/28/43/1305162843.db2.gz JTXIQUUERKTSQH-UHFFFAOYSA-N 2 0 344.478 3.422 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000892750302 1305539037 /nfs/dbraw/zinc/53/90/37/1305539037.db2.gz UPOLZPBYBUQNCX-GOSISDBHSA-N 2 0 334.504 3.204 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786781035 1305628354 /nfs/dbraw/zinc/62/83/54/1305628354.db2.gz PVCODYMTNJEINW-IAGOWNOFSA-N 2 0 346.519 3.377 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000788242357 1305906432 /nfs/dbraw/zinc/90/64/32/1305906432.db2.gz FEQOJZDZSMVJJR-IRXDYDNUSA-N 2 0 339.524 3.288 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790533396 1306346304 /nfs/dbraw/zinc/34/63/04/1306346304.db2.gz NJRPCVOQYOLKQD-UHFFFAOYSA-N 2 0 346.906 3.406 20 0 EGADRP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000895378561 1309306899 /nfs/dbraw/zinc/30/68/99/1309306899.db2.gz QZQMGIRLNJSSEQ-QFBILLFUSA-N 2 0 343.515 3.148 20 0 EGADRP C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000793569717 1309406883 /nfs/dbraw/zinc/40/68/83/1309406883.db2.gz PSMFLGHABKERQG-FUHWJXTLSA-N 2 0 332.488 3.064 20 0 EGADRP CCn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000895693448 1309469446 /nfs/dbraw/zinc/46/94/46/1309469446.db2.gz CQKBJIQMIPBIEF-VQIMIIECSA-N 2 0 326.488 3.069 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000796709211 1310068470 /nfs/dbraw/zinc/06/84/70/1310068470.db2.gz LFTUPDBYGDQMAC-ODIFPOPNSA-N 2 0 331.460 3.167 20 0 EGADRP OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccnc2cc(F)c(Cl)cc21 ZINC000897218712 1310225901 /nfs/dbraw/zinc/22/59/01/1310225901.db2.gz FVSNVAKOMPXENI-MSOLQXFVSA-N 2 0 349.837 3.063 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799014245 1310469529 /nfs/dbraw/zinc/46/95/29/1310469529.db2.gz FGXAAXNIKLNBGR-DYESRHJHSA-N 2 0 345.531 3.182 20 0 EGADRP C(COC1CCSCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000898440640 1310736248 /nfs/dbraw/zinc/73/62/48/1310736248.db2.gz SOSUTJXDFYFBBC-UHFFFAOYSA-N 2 0 326.550 3.285 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCC3(C)C)c2)C1 ZINC000857282397 1328526112 /nfs/dbraw/zinc/52/61/12/1328526112.db2.gz BZMMTDDBKNQCAN-LJQANCHMSA-N 2 0 343.515 3.100 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000857867633 1328609004 /nfs/dbraw/zinc/60/90/04/1328609004.db2.gz ZANPCPHWGOVIDL-LJQANCHMSA-N 2 0 340.471 3.050 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1Cl ZINC001018963031 1316988200 /nfs/dbraw/zinc/98/82/00/1316988200.db2.gz VRSIHIDAYROLLM-GJZGRUSLSA-N 2 0 349.906 3.076 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001019068667 1317032431 /nfs/dbraw/zinc/03/24/31/1317032431.db2.gz GEUBRHJOILWYIV-INIZCTEOSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)c3ccccc3)C2)CC1 ZINC001019592953 1317299296 /nfs/dbraw/zinc/29/92/96/1317299296.db2.gz AGYMYOAQYIWDFD-XLIONFOSSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957559142 1317456302 /nfs/dbraw/zinc/45/63/02/1317456302.db2.gz DAUFLZBDOWCJRZ-LJQANCHMSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CCCC1)CC2)[NH+](C)C ZINC000957605969 1317492797 /nfs/dbraw/zinc/49/27/97/1317492797.db2.gz SFHJXMHQKNXNGE-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)CC1 ZINC000957620922 1317501790 /nfs/dbraw/zinc/50/17/90/1317501790.db2.gz POCMLKFCRPTQNP-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957644783 1317516697 /nfs/dbraw/zinc/51/66/97/1317516697.db2.gz HVAZFXAUUWRVAT-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020144185 1317559279 /nfs/dbraw/zinc/55/92/79/1317559279.db2.gz TYIRPINWKSJXRK-GUDVDZBRSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020144196 1317559772 /nfs/dbraw/zinc/55/97/72/1317559772.db2.gz UMMOVNAWDRHVPN-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)C1 ZINC000902389385 1317571174 /nfs/dbraw/zinc/57/11/74/1317571174.db2.gz UGBKJIOOMNEUDQ-CQSZACIVSA-N 2 0 332.879 3.394 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000902388336 1317571987 /nfs/dbraw/zinc/57/19/87/1317571987.db2.gz OMRIHSAWWNHIAS-WBVHZDCISA-N 2 0 344.503 3.035 20 0 EGADRP CC1CC[NH+](CCC[C@H]([NH2+]CCCON)c2ccc(F)cc2)CC1 ZINC000902426479 1317576896 /nfs/dbraw/zinc/57/68/96/1317576896.db2.gz UXRQXCDPHOCTMV-IBGZPJMESA-N 2 0 337.483 3.249 20 0 EGADRP CSc1ccc(Br)cc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000902431761 1317577671 /nfs/dbraw/zinc/57/76/71/1317577671.db2.gz ULJIDAYCXMJPLW-QWRGUYRKSA-N 2 0 331.323 3.429 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000957726811 1317593967 /nfs/dbraw/zinc/59/39/67/1317593967.db2.gz ZPXGIMBNUKCKSP-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020214565 1317596110 /nfs/dbraw/zinc/59/61/10/1317596110.db2.gz XBTHJRUZOUJWEE-GUDVDZBRSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020238776 1317603894 /nfs/dbraw/zinc/60/38/94/1317603894.db2.gz CATVNTDSSXTVLP-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000957753520 1317621973 /nfs/dbraw/zinc/62/19/73/1317621973.db2.gz UEMYDHUJQHKTCR-QPIRBTGLSA-N 2 0 349.563 3.077 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902839883 1317622983 /nfs/dbraw/zinc/62/29/83/1317622983.db2.gz VXMUSYQJTBHMKJ-OCCSQVGLSA-N 2 0 333.398 3.108 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1)C(C)C ZINC000957759860 1317625062 /nfs/dbraw/zinc/62/50/62/1317625062.db2.gz FLVIJXRWMOOVON-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2CC(C)(C)CC2=O)CC1 ZINC000808154453 1317632774 /nfs/dbraw/zinc/63/27/74/1317632774.db2.gz SACBQXNPDYDCSF-UHFFFAOYSA-N 2 0 343.515 3.046 20 0 EGADRP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000902948064 1317633467 /nfs/dbraw/zinc/63/34/67/1317633467.db2.gz OVWBUDQDRBCXIG-PCCBWWKXSA-N 2 0 346.515 3.081 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)c1 ZINC000903116009 1317656319 /nfs/dbraw/zinc/65/63/19/1317656319.db2.gz PVULJSQJRLDHIW-SHQCPXRQSA-N 2 0 346.515 3.134 20 0 EGADRP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)c1 ZINC000903120998 1317656821 /nfs/dbraw/zinc/65/68/21/1317656821.db2.gz ZHMUIZMNYCVBHV-MYGYKHERSA-N 2 0 330.516 3.434 20 0 EGADRP COCCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903128384 1317659608 /nfs/dbraw/zinc/65/96/08/1317659608.db2.gz XNNRYPPLWUTJSD-CTXDPNEZSA-N 2 0 344.499 3.349 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000903176789 1317668832 /nfs/dbraw/zinc/66/88/32/1317668832.db2.gz UMOWECMLRCDNBY-PWUWZPNHSA-N 2 0 334.426 3.483 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000903176790 1317669185 /nfs/dbraw/zinc/66/91/85/1317669185.db2.gz UMOWECMLRCDNBY-PYBGIAKNSA-N 2 0 334.426 3.483 20 0 EGADRP Cn1cnc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000808389066 1317669901 /nfs/dbraw/zinc/66/99/01/1317669901.db2.gz PFORXKTZESVGBK-UHFFFAOYSA-N 2 0 340.515 3.245 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903398036 1317695930 /nfs/dbraw/zinc/69/59/30/1317695930.db2.gz TWYUZXUYYMSTPO-QGZVFWFLSA-N 2 0 342.483 3.013 20 0 EGADRP c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723569 1317724400 /nfs/dbraw/zinc/72/44/00/1317724400.db2.gz IOXPFQMVYJGECJ-VQTJNVASSA-N 2 0 328.500 3.242 20 0 EGADRP c1ccc2c(c1)CC[C@H]2[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722748 1317724455 /nfs/dbraw/zinc/72/44/55/1317724455.db2.gz OKWIKWXFHQRYPU-AZUAARDMSA-N 2 0 326.484 3.297 20 0 EGADRP c1ccc(SC[C@@H]2CC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903733946 1317726705 /nfs/dbraw/zinc/72/67/05/1317726705.db2.gz NCAYHGFWDHJGDX-QZTJIDSGSA-N 2 0 346.540 3.259 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020499930 1317731051 /nfs/dbraw/zinc/73/10/51/1317731051.db2.gz INXQJHJYFMCZJX-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)O1 ZINC000903769196 1317731294 /nfs/dbraw/zinc/73/12/94/1317731294.db2.gz ZMNJLAPXTGXFRK-OAGGEKHMSA-N 2 0 334.426 3.198 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000903793595 1317734923 /nfs/dbraw/zinc/73/49/23/1317734923.db2.gz FUGXNSANVPXTHX-UHFFFAOYSA-N 2 0 346.478 3.365 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794449 1317736521 /nfs/dbraw/zinc/73/65/21/1317736521.db2.gz VLOUVHFUTUPLPI-QGZVFWFLSA-N 2 0 337.467 3.006 20 0 EGADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2F)CCC1 ZINC000903816326 1317738004 /nfs/dbraw/zinc/73/80/04/1317738004.db2.gz YEFOIWWXONCHLD-QGZVFWFLSA-N 2 0 333.451 3.138 20 0 EGADRP CCOc1cc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)ccc1OC ZINC000903921265 1317749041 /nfs/dbraw/zinc/74/90/41/1317749041.db2.gz NZAAWXGILSNIJK-UHFFFAOYSA-N 2 0 326.440 3.029 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001020587560 1317791782 /nfs/dbraw/zinc/79/17/82/1317791782.db2.gz LAADSQJATRMREJ-BHIYHBOVSA-N 2 0 343.515 3.031 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809545625 1317828148 /nfs/dbraw/zinc/82/81/48/1317828148.db2.gz OHPGOCAMOFOZHY-UHFFFAOYSA-N 2 0 341.540 3.296 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000904404697 1317842968 /nfs/dbraw/zinc/84/29/68/1317842968.db2.gz CXLXDGLOWOLSIZ-RHSMWYFYSA-N 2 0 338.879 3.069 20 0 EGADRP C[C@@H](O)c1ncc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000809605525 1317843086 /nfs/dbraw/zinc/84/30/86/1317843086.db2.gz DHDKWJKALMECDG-QLFBSQMISA-N 2 0 325.522 3.044 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000904637058 1317873139 /nfs/dbraw/zinc/87/31/39/1317873139.db2.gz PQXUYLCHJZXRKI-UHFFFAOYSA-N 2 0 344.503 3.313 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000904652334 1317876574 /nfs/dbraw/zinc/87/65/74/1317876574.db2.gz QDIIUWHPXHHROV-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904664241 1317878853 /nfs/dbraw/zinc/87/88/53/1317878853.db2.gz DATXNGIMKAUYJK-HZPDHXFCSA-N 2 0 332.492 3.025 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904664240 1317878895 /nfs/dbraw/zinc/87/88/95/1317878895.db2.gz DATXNGIMKAUYJK-HOTGVXAUSA-N 2 0 332.492 3.025 20 0 EGADRP C[C@](O)(C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(F)F ZINC000905095688 1317923244 /nfs/dbraw/zinc/92/32/44/1317923244.db2.gz KGIJZIYLAHBCSS-KRWDZBQOSA-N 2 0 346.849 3.158 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2cncn2C)cc1C[NH+]1CCCCC1 ZINC000810242687 1317984992 /nfs/dbraw/zinc/98/49/92/1317984992.db2.gz HEQXTJTWERXAML-MRXNPFEDSA-N 2 0 342.487 3.265 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC[NH+](C)CC1 ZINC000810252073 1317986374 /nfs/dbraw/zinc/98/63/74/1317986374.db2.gz HKEWPIPTRSUXMR-MRXNPFEDSA-N 2 0 344.528 3.350 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCC2)CC[N@@H+]1C ZINC001021262461 1318162733 /nfs/dbraw/zinc/16/27/33/1318162733.db2.gz NWBDBGSKFQEZNQ-OLPBJYBYSA-N 2 0 347.547 3.019 20 0 EGADRP CN(C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1Cl ZINC000907907343 1318278225 /nfs/dbraw/zinc/27/82/25/1318278225.db2.gz BKNHWWNFHZCCAD-RDJZCZTQSA-N 2 0 335.879 3.357 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(F)c1)[NH+](C)C ZINC000960044421 1318327677 /nfs/dbraw/zinc/32/76/77/1318327677.db2.gz RMPOOLHIHAIDTJ-ZYSHUDEJSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960044988 1318327836 /nfs/dbraw/zinc/32/78/36/1318327836.db2.gz WGDAEMKHWJJSFA-VQTJNVASSA-N 2 0 345.531 3.114 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960072888 1318340793 /nfs/dbraw/zinc/34/07/93/1318340793.db2.gz YABSGEJNLHNBJT-FQEVSTJZSA-N 2 0 348.450 3.119 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000960217699 1318416052 /nfs/dbraw/zinc/41/60/52/1318416052.db2.gz WWOFERFKCQBWLQ-QUCCMNQESA-N 2 0 343.515 3.123 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624870 1318474866 /nfs/dbraw/zinc/47/48/66/1318474866.db2.gz ZSKMHQSSTHIWIU-MJGOQNOKSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813881944 1318649987 /nfs/dbraw/zinc/64/99/87/1318649987.db2.gz XTBXADFDKMPYNO-LBFURVHYSA-N 2 0 338.499 3.447 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC000960639940 1318758755 /nfs/dbraw/zinc/75/87/55/1318758755.db2.gz DTESZUVKYQGFRA-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001022077177 1318792803 /nfs/dbraw/zinc/79/28/03/1318792803.db2.gz KQWDHXXHSBFEDA-YHFFBGSDSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1c(C)cccc1C)[NH+](C)C ZINC000960718649 1318826309 /nfs/dbraw/zinc/82/63/09/1318826309.db2.gz PRPZJOFZYUACOU-UYAOXDASSA-N 2 0 345.531 3.066 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001022290152 1318880539 /nfs/dbraw/zinc/88/05/39/1318880539.db2.gz HBWJHZAXIJCZJQ-RUGDWHBFSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001022293936 1318880634 /nfs/dbraw/zinc/88/06/34/1318880634.db2.gz XNKIRCMITLDUKY-ZCNNSNEGSA-N 2 0 343.515 3.031 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001022293935 1318880727 /nfs/dbraw/zinc/88/07/27/1318880727.db2.gz XNKIRCMITLDUKY-HSALFYBXSA-N 2 0 343.515 3.031 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001022290154 1318881638 /nfs/dbraw/zinc/88/16/38/1318881638.db2.gz HBWJHZAXIJCZJQ-ZSGPHXLJSA-N 2 0 349.906 3.122 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001022341874 1318901172 /nfs/dbraw/zinc/90/11/72/1318901172.db2.gz PPWMZDRQWQSIJH-OLMNPRSZSA-N 2 0 348.450 3.254 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960827486 1318954047 /nfs/dbraw/zinc/95/40/47/1318954047.db2.gz ZSPDXPGRLUVQPL-PXNSSMCTSA-N 2 0 343.515 3.012 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001022886683 1319150872 /nfs/dbraw/zinc/15/08/72/1319150872.db2.gz GFDNUADNCXNCOJ-WTGUMLROSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)CC1 ZINC001022921681 1319170988 /nfs/dbraw/zinc/17/09/88/1319170988.db2.gz JFUIBLGHLFIHOR-HCABLIJQSA-N 2 0 349.563 3.170 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022975517 1319198597 /nfs/dbraw/zinc/19/85/97/1319198597.db2.gz NPAKPOFWZYTJPX-HAGHYFMRSA-N 2 0 349.563 3.314 20 0 EGADRP [NH3+][C@@H]1C[C@H](NC[C@@H](O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000817890410 1319451253 /nfs/dbraw/zinc/45/12/53/1319451253.db2.gz SZCAFAOJIMGGQL-IXDOHACOSA-N 2 0 336.357 3.473 20 0 EGADRP [NH3+][C@@H]1C[C@H](NC[C@H](O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000817890409 1319452208 /nfs/dbraw/zinc/45/22/08/1319452208.db2.gz SZCAFAOJIMGGQL-IKGGRYGDSA-N 2 0 336.357 3.473 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817923285 1319461224 /nfs/dbraw/zinc/46/12/24/1319461224.db2.gz VXWORRFWOZQWMU-AZOSJMHDSA-N 2 0 339.483 3.330 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817948764 1319473716 /nfs/dbraw/zinc/47/37/16/1319473716.db2.gz LGRSJTNVUXRXJN-MRXNPFEDSA-N 2 0 328.456 3.064 20 0 EGADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc(OC)c1OC ZINC000817947086 1319473819 /nfs/dbraw/zinc/47/38/19/1319473819.db2.gz JPSUTHDGGZCKQB-CQSZACIVSA-N 2 0 344.455 3.064 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023367229 1319478049 /nfs/dbraw/zinc/47/80/49/1319478049.db2.gz XOVCYKUHSOVMOJ-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000817981438 1319485883 /nfs/dbraw/zinc/48/58/83/1319485883.db2.gz JOPBVCIEEPVJDW-KBXCAEBGSA-N 2 0 326.444 3.308 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400146 1319508256 /nfs/dbraw/zinc/50/82/56/1319508256.db2.gz AWBQBMQJCVHKSB-HNNXBMFYSA-N 2 0 337.533 3.052 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961373355 1319529498 /nfs/dbraw/zinc/52/94/98/1319529498.db2.gz GVLGSFDZROVMTH-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001023446479 1319544726 /nfs/dbraw/zinc/54/47/26/1319544726.db2.gz QJLVKZXHUKBISO-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001023445942 1319544980 /nfs/dbraw/zinc/54/49/80/1319544980.db2.gz FUCLDFSOPGWFIB-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000818963935 1319593418 /nfs/dbraw/zinc/59/34/18/1319593418.db2.gz GAVQLWHYSHEERN-HXUWFJFHSA-N 2 0 330.447 3.491 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961440223 1319593411 /nfs/dbraw/zinc/59/34/11/1319593411.db2.gz KTSASIIECAEPOZ-ICSRJNTNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819141862 1319647853 /nfs/dbraw/zinc/64/78/53/1319647853.db2.gz KNTRRGBSMTYVJS-LJQANCHMSA-N 2 0 340.458 3.346 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000819363715 1319710366 /nfs/dbraw/zinc/71/03/66/1319710366.db2.gz YNKYWLHUROWUMY-MRXNPFEDSA-N 2 0 330.394 3.203 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC000961849436 1319746590 /nfs/dbraw/zinc/74/65/90/1319746590.db2.gz LMYSQTHDVCYNSM-JYPHPWERSA-N 2 0 349.563 3.027 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646221 1319765747 /nfs/dbraw/zinc/76/57/47/1319765747.db2.gz KEYTZQQZXXMUIY-MJGOQNOKSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000961922083 1319773325 /nfs/dbraw/zinc/77/33/25/1319773325.db2.gz AESXDHCFPWDCNI-NKELODKYSA-N 2 0 349.563 3.170 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)o1 ZINC000918703037 1319990732 /nfs/dbraw/zinc/99/07/32/1319990732.db2.gz JACVKTAJRHXUSK-UHFFFAOYSA-N 2 0 335.492 3.114 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CC[C@@H](OC)C2)CC1 ZINC000821401809 1320011345 /nfs/dbraw/zinc/01/13/45/1320011345.db2.gz HFEBIQGIHHKGHW-RYQLBKOJSA-N 2 0 349.494 3.186 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000822766587 1320121745 /nfs/dbraw/zinc/12/17/45/1320121745.db2.gz VAMIJQABDYSBEG-SJORKVTESA-N 2 0 326.444 3.188 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]1SC ZINC000838971117 1320845011 /nfs/dbraw/zinc/84/50/11/1320845011.db2.gz NVMHRTJBQGKXJV-YOHUBWIESA-N 2 0 326.550 3.282 20 0 EGADRP COC(=O)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000839554242 1320937431 /nfs/dbraw/zinc/93/74/31/1320937431.db2.gz WNPFHCRDCBLXQY-LJQANCHMSA-N 2 0 330.472 3.104 20 0 EGADRP Cn1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(C2CCCCC2)n1 ZINC000841032063 1321204327 /nfs/dbraw/zinc/20/43/27/1321204327.db2.gz IUFJDVDFPIKEBM-UHFFFAOYSA-N 2 0 326.488 3.259 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841034014 1321205482 /nfs/dbraw/zinc/20/54/82/1321205482.db2.gz VNSRKCJZURKEBA-MRXNPFEDSA-N 2 0 339.483 3.257 20 0 EGADRP CC(C)n1ncc2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c(Cl)nc21 ZINC000841071823 1321214152 /nfs/dbraw/zinc/21/41/52/1321214152.db2.gz CPCGCKBDNUWUOJ-OAHLLOKOSA-N 2 0 335.883 3.287 20 0 EGADRP CN1c2ccc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cc2CCC1=O ZINC000841087507 1321216919 /nfs/dbraw/zinc/21/69/19/1321216919.db2.gz QMXZNWSYNDVUHP-IBGZPJMESA-N 2 0 337.467 3.165 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841329963 1321257571 /nfs/dbraw/zinc/25/75/71/1321257571.db2.gz CCZQQUCQYHULRW-UHFFFAOYSA-N 2 0 342.487 3.208 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216066 1328949168 /nfs/dbraw/zinc/94/91/68/1328949168.db2.gz WZIDXADDGOBDAV-YLJYHZDGSA-N 2 0 345.531 3.360 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000842471993 1321392217 /nfs/dbraw/zinc/39/22/17/1321392217.db2.gz LECBIGKYJGTBBV-UHFFFAOYSA-N 2 0 332.492 3.182 20 0 EGADRP C[N@H+](CCCCCCC[NH3+])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000842473019 1321393336 /nfs/dbraw/zinc/39/33/36/1321393336.db2.gz MDEZUGFWFQWMNC-QGZVFWFLSA-N 2 0 337.895 3.286 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000843186043 1321483914 /nfs/dbraw/zinc/48/39/14/1321483914.db2.gz CKNIIRKERCHRPA-MRXNPFEDSA-N 2 0 346.475 3.374 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1c(Cl)cccc1Cl ZINC000843339983 1321502169 /nfs/dbraw/zinc/50/21/69/1321502169.db2.gz GLSWJYCIOKDWBC-RTWAVKEYSA-N 2 0 329.271 3.005 20 0 EGADRP CCC[N@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CC[NH2+]CC1 ZINC000843360800 1321505943 /nfs/dbraw/zinc/50/59/43/1321505943.db2.gz PFTQQMGAMBPKII-UHFFFAOYSA-N 2 0 340.467 3.246 20 0 EGADRP COc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364963 1321506828 /nfs/dbraw/zinc/50/68/28/1321506828.db2.gz XSSBDGVRJINRIN-ZYHUDNBSSA-N 2 0 334.407 3.476 20 0 EGADRP CCc1cc2oc(=O)cc(CN3C[C@@H](C[NH3+])C[C@@H]3C)c2cc1Cl ZINC000843362329 1321507342 /nfs/dbraw/zinc/50/73/42/1321507342.db2.gz DRJOIYYJNGVUNI-NWDGAFQWSA-N 2 0 334.847 3.178 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843388252 1321509864 /nfs/dbraw/zinc/50/98/64/1321509864.db2.gz ZCQFSQRDDPEFPZ-MRXNPFEDSA-N 2 0 337.467 3.242 20 0 EGADRP COc1cc(N[C@H]2CCC[N@H+](CCCCCC[NH3+])C2)cc(OC)c1 ZINC000846221246 1321777688 /nfs/dbraw/zinc/77/76/88/1321777688.db2.gz VCUJJFQZPRNNQW-INIZCTEOSA-N 2 0 335.492 3.099 20 0 EGADRP c1cc(-c2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)ccc1C[NH+]1CCCC1 ZINC000848618794 1321981662 /nfs/dbraw/zinc/98/16/62/1321981662.db2.gz WDZJJHWCWVCBFA-YLJYHZDGSA-N 2 0 338.455 3.190 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000848895950 1322036445 /nfs/dbraw/zinc/03/64/45/1322036445.db2.gz ZHCPNQMAZQLYJQ-YDZSZYSISA-N 2 0 334.460 3.068 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)o1 ZINC000848898013 1322037413 /nfs/dbraw/zinc/03/74/13/1322037413.db2.gz OHIOFGQXYREAEA-SREVYHEPSA-N 2 0 348.487 3.314 20 0 EGADRP C[C@@H]1C[C@@H](CCNC(=[NH2+])NC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989174 1322056470 /nfs/dbraw/zinc/05/64/70/1322056470.db2.gz CSLRHPFBGAQMNW-SJLPKXTDSA-N 2 0 328.504 3.344 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000849056013 1322061199 /nfs/dbraw/zinc/06/11/99/1322061199.db2.gz PJIFISVFIPKKNE-UHFFFAOYSA-N 2 0 336.483 3.274 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000849058696 1322062351 /nfs/dbraw/zinc/06/23/51/1322062351.db2.gz OTUCHDMRZKUFCN-HDICACEKSA-N 2 0 330.520 3.367 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000849063557 1322063462 /nfs/dbraw/zinc/06/34/62/1322063462.db2.gz JOQUDPGTXGYSOC-HNNXBMFYSA-N 2 0 348.491 3.151 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000849066423 1322064434 /nfs/dbraw/zinc/06/44/34/1322064434.db2.gz WSWKBIJJLHGEHD-QGZVFWFLSA-N 2 0 341.503 3.191 20 0 EGADRP Cc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000849066652 1322064507 /nfs/dbraw/zinc/06/45/07/1322064507.db2.gz LDXXSFVZHZZCFX-IEBWSBKVSA-N 2 0 328.504 3.388 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)c1 ZINC000849078391 1322069231 /nfs/dbraw/zinc/06/92/31/1322069231.db2.gz RNPVVVNDXRZXQO-UHFFFAOYSA-N 2 0 348.491 3.152 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083725 1322071740 /nfs/dbraw/zinc/07/17/40/1322071740.db2.gz GMBPMWWGTJNCRQ-GFCCVEGCSA-N 2 0 344.381 3.252 20 0 EGADRP COc1ccc(OC)c(NC(=[NH2+])NCCCCC[NH+]2CCCCC2)c1 ZINC000849099123 1322077719 /nfs/dbraw/zinc/07/77/19/1322077719.db2.gz LFCBICZDQKWDBB-UHFFFAOYSA-N 2 0 348.491 3.296 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000849113659 1322083323 /nfs/dbraw/zinc/08/33/23/1322083323.db2.gz ZFTXFINAECHNDH-KKUMJFAQSA-N 2 0 334.895 3.184 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849117109 1322084877 /nfs/dbraw/zinc/08/48/77/1322084877.db2.gz YQICCIHYWHEUEX-LBPRGKRZSA-N 2 0 344.381 3.253 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@H](C)C1 ZINC000850522837 1322261005 /nfs/dbraw/zinc/26/10/05/1322261005.db2.gz NPKYRNHXBJAFBA-CVEARBPZSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850554634 1322264669 /nfs/dbraw/zinc/26/46/69/1322264669.db2.gz CWPIKVOFEZJCFE-INIZCTEOSA-N 2 0 331.287 3.489 20 0 EGADRP C[C@@H]1Cc2cc(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)ccc2O1 ZINC000921547345 1322348708 /nfs/dbraw/zinc/34/87/08/1322348708.db2.gz PEQVBGJUMHPBJW-MRXNPFEDSA-N 2 0 340.467 3.240 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000922180664 1322473552 /nfs/dbraw/zinc/47/35/52/1322473552.db2.gz FDXJXHPWQYPIJR-IKGGRYGDSA-N 2 0 339.524 3.001 20 0 EGADRP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922505617 1322544284 /nfs/dbraw/zinc/54/42/84/1322544284.db2.gz VASIQABMTNZAGK-UHFFFAOYSA-N 2 0 344.425 3.326 20 0 EGADRP Cn1c2ccc(C[NH2+]C3CCC(C)([NH+]4CCC4)CC3)cc2sc1=O ZINC000922846367 1322631717 /nfs/dbraw/zinc/63/17/17/1322631717.db2.gz YRNMPDLBPIVCKZ-UHFFFAOYSA-N 2 0 345.512 3.097 20 0 EGADRP CC(C)c1ccc(OC2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923307621 1322730076 /nfs/dbraw/zinc/73/00/76/1322730076.db2.gz YQCHSENHIVDQIP-FQEVSTJZSA-N 2 0 344.499 3.032 20 0 EGADRP O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313139 1322731133 /nfs/dbraw/zinc/73/11/33/1322731133.db2.gz VKGCMNIRLOMTFY-QQFYDIPVSA-N 2 0 328.500 3.495 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1Cl ZINC000923361259 1322740331 /nfs/dbraw/zinc/74/03/31/1322740331.db2.gz HOIVIPBARUCXCX-PMUMKWKESA-N 2 0 340.870 3.224 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363162 1322740499 /nfs/dbraw/zinc/74/04/99/1322740499.db2.gz VQURJSJLCMUALB-YPAWHYETSA-N 2 0 338.495 3.065 20 0 EGADRP Fc1cc(F)cc([C@@H]2COCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923389319 1322744355 /nfs/dbraw/zinc/74/43/55/1322744355.db2.gz OAZFRTWLVLGKAJ-CIGVMIAHSA-N 2 0 336.426 3.259 20 0 EGADRP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000923427759 1322750766 /nfs/dbraw/zinc/75/07/66/1322750766.db2.gz VNPRUJROLFDSRH-GNXYBZPXSA-N 2 0 328.504 3.051 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923486516 1322760926 /nfs/dbraw/zinc/76/09/26/1322760926.db2.gz RLGFHAQEVAKBHJ-ULQDDVLXSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cccc(C[NH+](C)C)c1 ZINC000924552247 1323052255 /nfs/dbraw/zinc/05/22/55/1323052255.db2.gz IFVZMMWOEDNCKN-OAHLLOKOSA-N 2 0 326.440 3.370 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924622685 1323080652 /nfs/dbraw/zinc/08/06/52/1323080652.db2.gz AHIFETQORKSWGP-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000851807262 1323095246 /nfs/dbraw/zinc/09/52/46/1323095246.db2.gz DUHBOXFSCKHEFQ-PCCBWWKXSA-N 2 0 348.531 3.056 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924689036 1323114232 /nfs/dbraw/zinc/11/42/32/1323114232.db2.gz WGZGNXJWDDZCCZ-HOJAQTOUSA-N 2 0 332.536 3.233 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2CCCO)c1 ZINC000924704415 1323122962 /nfs/dbraw/zinc/12/29/62/1323122962.db2.gz PBVVSJNMFKPLEC-QUCCMNQESA-N 2 0 334.504 3.048 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cccc3c2OCO3)cn1 ZINC000924722228 1323133279 /nfs/dbraw/zinc/13/32/79/1323133279.db2.gz GQBMWFNGUWUQJQ-CYBMUJFWSA-N 2 0 336.395 3.155 20 0 EGADRP C[C@H]1[C@@H](NC2CC[NH+](C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000924841815 1323184312 /nfs/dbraw/zinc/18/43/12/1323184312.db2.gz DWQKJCMQYVEYCR-UWJYYQICSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924963373 1323230589 /nfs/dbraw/zinc/23/05/89/1323230589.db2.gz JDOKWEVZODSBKA-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000924993622 1323238711 /nfs/dbraw/zinc/23/87/11/1323238711.db2.gz PWNDQTVWRUUGPE-NWDGAFQWSA-N 2 0 348.293 3.419 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024469564 1323424667 /nfs/dbraw/zinc/42/46/67/1323424667.db2.gz SZGMWHMGWTZBSB-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479276 1323432811 /nfs/dbraw/zinc/43/28/11/1323432811.db2.gz DJNGZOUOFUZXIC-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811558 1323714563 /nfs/dbraw/zinc/71/45/63/1323714563.db2.gz UWSAADVITNDOAM-VQIMIIECSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024812248 1323715737 /nfs/dbraw/zinc/71/57/37/1323715737.db2.gz MRPMWSVAMQCEFA-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024979212 1323811563 /nfs/dbraw/zinc/81/15/63/1323811563.db2.gz OHTFGSLUSMFLDC-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001025058491 1323861512 /nfs/dbraw/zinc/86/15/12/1323861512.db2.gz LVVGPOZEZPQJHW-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025160306 1323930685 /nfs/dbraw/zinc/93/06/85/1323930685.db2.gz GDXGKMBAQBKXAB-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001025168693 1323936718 /nfs/dbraw/zinc/93/67/18/1323936718.db2.gz UQWGBJZJUDYKNZ-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240696 1324033913 /nfs/dbraw/zinc/03/39/13/1324033913.db2.gz QLPGRDISMFXEDK-RBUKOAKNSA-N 2 0 347.547 3.282 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001025465941 1324311096 /nfs/dbraw/zinc/31/10/96/1324311096.db2.gz XCBSFHLYMLGKQR-DOTOQJQBSA-N 2 0 342.487 3.129 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026492452 1324845905 /nfs/dbraw/zinc/84/59/05/1324845905.db2.gz MOAFZWHMWPGCHE-CTWPCTMYSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026492754 1324846785 /nfs/dbraw/zinc/84/67/85/1324846785.db2.gz XBIQGXHRGQELNQ-MHJFOBGBSA-N 2 0 347.547 3.377 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC001026505704 1324854210 /nfs/dbraw/zinc/85/42/10/1324854210.db2.gz NBAHKSNMZBMLCV-XEVCZEQESA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC(C)C)CC1 ZINC001026590957 1324916723 /nfs/dbraw/zinc/91/67/23/1324916723.db2.gz NTZNYDQRTBAXNI-CTWPCTMYSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@H]([NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001026605766 1324928070 /nfs/dbraw/zinc/92/80/70/1324928070.db2.gz ASMGRYJQNZOGFS-MHJFOBGBSA-N 2 0 343.515 3.251 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026610832 1324932972 /nfs/dbraw/zinc/93/29/72/1324932972.db2.gz VJIAFWYAKLZOEA-SOAGJPPSSA-N 2 0 349.563 3.458 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026874892 1325058793 /nfs/dbraw/zinc/05/87/93/1325058793.db2.gz BPWDIELRMPGWEG-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026886788 1325062449 /nfs/dbraw/zinc/06/24/49/1325062449.db2.gz FOWVNKBYFSKEAK-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026886790 1325062516 /nfs/dbraw/zinc/06/25/16/1325062516.db2.gz FOWVNKBYFSKEAK-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026887864 1325062913 /nfs/dbraw/zinc/06/29/13/1325062913.db2.gz WTQVPJYDOFJYDN-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026935006 1325091787 /nfs/dbraw/zinc/09/17/87/1325091787.db2.gz GVWWPCOKXZSYAD-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026935620 1325092330 /nfs/dbraw/zinc/09/23/30/1325092330.db2.gz PWJCUUPVALWPAH-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027014413 1325155487 /nfs/dbraw/zinc/15/54/87/1325155487.db2.gz BMWUSJOXWUDFDS-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360725 1325157179 /nfs/dbraw/zinc/15/71/79/1325157179.db2.gz OJELIGNURYNHKK-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@H](CCC[NH3+])c3ccccc3)C2)c1 ZINC000925480623 1325168237 /nfs/dbraw/zinc/16/82/37/1325168237.db2.gz WBGJJHLLHANZTC-GHTZIAJQSA-N 2 0 339.483 3.344 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925497601 1325178585 /nfs/dbraw/zinc/17/85/85/1325178585.db2.gz IFSCNPPXDMJQMA-NUEKZKHPSA-N 2 0 339.405 3.144 20 0 EGADRP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925514500 1325185995 /nfs/dbraw/zinc/18/59/95/1325185995.db2.gz PJEOOLVMOYNFFP-VQTJNVASSA-N 2 0 341.499 3.071 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925524327 1325189391 /nfs/dbraw/zinc/18/93/91/1325189391.db2.gz RORKZOVLHBDOQH-SFTDATJTSA-N 2 0 338.499 3.189 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925554901 1325205898 /nfs/dbraw/zinc/20/58/98/1325205898.db2.gz FALHSQITPDCHOX-ZHALLVOQSA-N 2 0 327.516 3.017 20 0 EGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925555416 1325207178 /nfs/dbraw/zinc/20/71/78/1325207178.db2.gz FWGMGNJRHIVFAI-LJQANCHMSA-N 3 0 347.934 3.426 20 0 EGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925559211 1325208014 /nfs/dbraw/zinc/20/80/14/1325208014.db2.gz RMMOMIKMQBRGCU-NZSAHSFTSA-N 2 0 329.488 3.291 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1 ZINC000925575317 1325217082 /nfs/dbraw/zinc/21/70/82/1325217082.db2.gz ZXYFOTQJXWASLO-SFHVURJKSA-N 2 0 341.503 3.007 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000925588180 1325221663 /nfs/dbraw/zinc/22/16/63/1325221663.db2.gz OOYLNGOKRUWHKI-MISYRCLQSA-N 2 0 332.536 3.089 20 0 EGADRP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631103 1325239413 /nfs/dbraw/zinc/23/94/13/1325239413.db2.gz UQPNCRKRJALJHQ-XYPHTWIQSA-N 2 0 339.886 3.202 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000925642848 1325244308 /nfs/dbraw/zinc/24/43/08/1325244308.db2.gz HFZZUGASMCSIBK-KRWDZBQOSA-N 2 0 343.437 3.331 20 0 EGADRP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925646803 1325246517 /nfs/dbraw/zinc/24/65/17/1325246517.db2.gz WQJOVMYZHLYJJQ-IAGOWNOFSA-N 2 0 347.469 3.019 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000925676259 1325259083 /nfs/dbraw/zinc/25/90/83/1325259083.db2.gz QHWNMLDEBKEOIG-SFYZZRBRSA-N 2 0 346.544 3.159 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000925713647 1325266835 /nfs/dbraw/zinc/26/68/35/1325266835.db2.gz MCLARGQAFRZZSJ-KQJUQVOJSA-N 2 0 333.907 3.272 20 0 EGADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925807983 1325309968 /nfs/dbraw/zinc/30/99/68/1325309968.db2.gz IZWKKHQERWQYMR-JOCHJYFZSA-N 2 0 335.495 3.177 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc21 ZINC000925817051 1325315198 /nfs/dbraw/zinc/31/51/98/1325315198.db2.gz MQOXRKPKPGVUSU-HTAPYJJXSA-N 2 0 335.495 3.430 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC000963632176 1325348459 /nfs/dbraw/zinc/34/84/59/1325348459.db2.gz PTGYNVXJFGUGSZ-FCOWATRHSA-N 2 0 347.547 3.068 20 0 EGADRP CC1([NH+]2CCC2)CCC(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000926187470 1325461627 /nfs/dbraw/zinc/46/16/27/1325461627.db2.gz WIAHJOFUGGPPDJ-AGYKMIKPSA-N 2 0 342.487 3.030 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926288740 1325504319 /nfs/dbraw/zinc/50/43/19/1325504319.db2.gz YOBHYZHTBYANSD-DLBZAZTESA-N 2 0 334.504 3.066 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(Br)n1 ZINC000926311474 1325512091 /nfs/dbraw/zinc/51/20/91/1325512091.db2.gz YNERPQRCGYXHLF-GFCCVEGCSA-N 2 0 338.293 3.369 20 0 EGADRP CC(C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000964645216 1327618105 /nfs/dbraw/zinc/61/81/05/1327618105.db2.gz XDFIJAQAHKMVRT-HNSLBZJHSA-N 2 0 347.547 3.209 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027408245 1327634600 /nfs/dbraw/zinc/63/46/00/1327634600.db2.gz LVKDLNONVNWRJQ-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cccc(C[NH+](C)C)c1 ZINC000926665202 1327658302 /nfs/dbraw/zinc/65/83/02/1327658302.db2.gz ZVKZLVISGBPNNR-MGPUTAFESA-N 2 0 337.467 3.352 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027430376 1327669707 /nfs/dbraw/zinc/66/97/07/1327669707.db2.gz RVPFWGYTVWFRSK-KRWDZBQOSA-N 2 0 349.544 3.146 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCCC3)C2)CCC1 ZINC001027440498 1327678364 /nfs/dbraw/zinc/67/83/64/1327678364.db2.gz IFOXAEUSGQYJTC-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442438 1327682031 /nfs/dbraw/zinc/68/20/31/1327682031.db2.gz UMBQDPIZHRNJLQ-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1cc(CO)on1 ZINC000926791601 1327719154 /nfs/dbraw/zinc/71/91/54/1327719154.db2.gz RRELVJSLSPUUJH-MRXNPFEDSA-N 2 0 343.471 3.120 20 0 EGADRP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n(C)n1 ZINC000927040074 1327827731 /nfs/dbraw/zinc/82/77/31/1327827731.db2.gz WKOBEOPXUNCOCZ-OMZYAQQMSA-N 2 0 344.547 3.436 20 0 EGADRP Cc1ccc(NCC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000927072423 1327841273 /nfs/dbraw/zinc/84/12/73/1327841273.db2.gz AYIRFMWYVICKMV-KRWDZBQOSA-N 2 0 342.487 3.093 20 0 EGADRP Cc1ccc(NCC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000927073378 1327842561 /nfs/dbraw/zinc/84/25/61/1327842561.db2.gz KVPBKBXDOSHILT-QUCCMNQESA-N 2 0 338.499 3.302 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647044 1328023675 /nfs/dbraw/zinc/02/36/75/1328023675.db2.gz KWWMEMLELGYPQL-TZIWHRDSSA-N 2 0 345.531 3.042 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694470 1328100206 /nfs/dbraw/zinc/10/02/06/1328100206.db2.gz ZEFNCROWBAPOTO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000928012311 1328172275 /nfs/dbraw/zinc/17/22/75/1328172275.db2.gz WOMNEBSPWHTMQO-APNLKKEMSA-N 2 0 335.536 3.161 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885716 1328353313 /nfs/dbraw/zinc/35/33/13/1328353313.db2.gz IQILISKMKJVGIY-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885483 1328354262 /nfs/dbraw/zinc/35/42/62/1328354262.db2.gz FKZJQJIEAHRHAU-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001027927779 1328406894 /nfs/dbraw/zinc/40/68/94/1328406894.db2.gz CVCJDRNFRCKDID-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000865716804 1329732235 /nfs/dbraw/zinc/73/22/35/1329732235.db2.gz DWODPQCKCDNNDE-UHFFFAOYSA-N 2 0 341.503 3.082 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000865717376 1329732241 /nfs/dbraw/zinc/73/22/41/1329732241.db2.gz XKFIAJCWMVQTQN-UHFFFAOYSA-N 2 0 330.520 3.282 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1cccs1 ZINC000933458282 1329890870 /nfs/dbraw/zinc/89/08/70/1329890870.db2.gz ZLOJDMPLKWFUTK-WMLDXEAASA-N 2 0 337.533 3.025 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000935327415 1330044878 /nfs/dbraw/zinc/04/48/78/1330044878.db2.gz DELPATNDSYGYKZ-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000866468118 1330116181 /nfs/dbraw/zinc/11/61/81/1330116181.db2.gz AZXTWJZSJCXVQT-HNNXBMFYSA-N 2 0 345.487 3.179 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC000942206465 1331879051 /nfs/dbraw/zinc/87/90/51/1331879051.db2.gz ZTIUFQUQYPHRIZ-HNAYVOBHSA-N 2 0 342.487 3.129 20 0 EGADRP C[C@H]1C[N@H+](CCCC2CCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597031 1331995799 /nfs/dbraw/zinc/99/57/99/1331995799.db2.gz IAAAGXHOYNNWJX-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821662 1332042251 /nfs/dbraw/zinc/04/22/51/1332042251.db2.gz GAJZFSQDIMXOSI-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846178 1332913695 /nfs/dbraw/zinc/91/36/95/1332913695.db2.gz TWGQPPCXRSWHGF-BGYRXZFFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC000947310274 1333084704 /nfs/dbraw/zinc/08/47/04/1333084704.db2.gz ONEZUAUPXZYCJB-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCC(C)(C)C ZINC000947438093 1333127519 /nfs/dbraw/zinc/12/75/19/1333127519.db2.gz UKXGPGFLLNFMCY-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC000947662721 1333213498 /nfs/dbraw/zinc/21/34/98/1333213498.db2.gz LOYSKBSGFZICAM-NVXWUHKLSA-N 2 0 349.519 3.360 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC000947685292 1333223033 /nfs/dbraw/zinc/22/30/33/1333223033.db2.gz MJPOMWGFRAJPKM-PXNSSMCTSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC000948065477 1333361598 /nfs/dbraw/zinc/36/15/98/1333361598.db2.gz JVKZJXQCTSWWAO-OEKIROHGSA-N 2 0 349.906 3.083 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(C)C)[C@H](C)C2)o1 ZINC000948079512 1333368872 /nfs/dbraw/zinc/36/88/72/1333368872.db2.gz XARNJPJEBCZRSN-IAGOWNOFSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948365709 1333496171 /nfs/dbraw/zinc/49/61/71/1333496171.db2.gz RWCHNLIOABWRIS-RTBURBONSA-N 2 0 335.536 3.138 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948368499 1333497337 /nfs/dbraw/zinc/49/73/37/1333497337.db2.gz NEBIFUIKJOXVRP-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948435697 1333523654 /nfs/dbraw/zinc/52/36/54/1333523654.db2.gz NZGWNQSDSLBJCW-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948439973 1333526158 /nfs/dbraw/zinc/52/61/58/1333526158.db2.gz XWGFNWJPZZRFRC-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948575136 1333583374 /nfs/dbraw/zinc/58/33/74/1333583374.db2.gz QIPVAODZYGTEOY-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948591460 1333587864 /nfs/dbraw/zinc/58/78/64/1333587864.db2.gz XXGYEICPJQDAOQ-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772143 1333672047 /nfs/dbraw/zinc/67/20/47/1333672047.db2.gz UEMGLGCSEPOFID-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1)[NH+]1CCCCCC1 ZINC000951192957 1334203054 /nfs/dbraw/zinc/20/30/54/1334203054.db2.gz ZDZLZGBRDBIOFQ-IOJLRTSASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951195160 1334204026 /nfs/dbraw/zinc/20/40/26/1334204026.db2.gz FYBMCJYOKYHVEV-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967085478 1335658953 /nfs/dbraw/zinc/65/89/53/1335658953.db2.gz KOZVAAIWMKGRPY-DNVCBOLYSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968190710 1335868765 /nfs/dbraw/zinc/86/87/65/1335868765.db2.gz LOXPWIXIBWNSOF-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378674 1335910019 /nfs/dbraw/zinc/91/00/19/1335910019.db2.gz RMASRTQULDKLAY-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC000968782733 1336048872 /nfs/dbraw/zinc/04/88/72/1336048872.db2.gz ZBWTVURKQKKCQO-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968882015 1336078011 /nfs/dbraw/zinc/07/80/11/1336078011.db2.gz DZHPHNACAHSDGE-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968916170 1336087171 /nfs/dbraw/zinc/08/71/71/1336087171.db2.gz XYAVSRHVLQZVTA-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000968915763 1336087310 /nfs/dbraw/zinc/08/73/10/1336087310.db2.gz PTWUJPGMWOSBJL-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936897 1336096182 /nfs/dbraw/zinc/09/61/82/1336096182.db2.gz UNEUAAIMPJVLLV-DLBZAZTESA-N 2 0 346.450 3.057 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000969059092 1336133223 /nfs/dbraw/zinc/13/32/23/1336133223.db2.gz FWBGZONBCRLPBS-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060259 1336133868 /nfs/dbraw/zinc/13/38/68/1336133868.db2.gz XYVAYPXKZGMBCB-RTBURBONSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000969156138 1336164895 /nfs/dbraw/zinc/16/48/95/1336164895.db2.gz KTNFNTFQOMIELW-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000969156380 1336165928 /nfs/dbraw/zinc/16/59/28/1336165928.db2.gz RKCBZCZQCJJUJV-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000969595039 1336226444 /nfs/dbraw/zinc/22/64/44/1336226444.db2.gz MAJNVRZQERVKPO-PWIZWCRZSA-N 2 0 343.515 3.156 20 0 EGADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006293611 1336484585 /nfs/dbraw/zinc/48/45/85/1336484585.db2.gz HXMMPSFKGDZBMO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006444116 1336507690 /nfs/dbraw/zinc/50/76/90/1336507690.db2.gz RTOBLDJJLVSSLD-QZTJIDSGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007498954 1336658901 /nfs/dbraw/zinc/65/89/01/1336658901.db2.gz MWLDVHPQCOHUKK-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001007649654 1336684055 /nfs/dbraw/zinc/68/40/55/1336684055.db2.gz WMPMHPFBKBRVEY-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001007648949 1336684085 /nfs/dbraw/zinc/68/40/85/1336684085.db2.gz VQCDDZKGDPDPJU-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001007721974 1336690980 /nfs/dbraw/zinc/69/09/80/1336690980.db2.gz DCZBTMWJIDULTC-MRXNPFEDSA-N 2 0 342.487 3.273 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007797529 1336702496 /nfs/dbraw/zinc/70/24/96/1336702496.db2.gz BJPMESHGFGBCOK-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001008541597 1336878043 /nfs/dbraw/zinc/87/80/43/1336878043.db2.gz RLXKEVBCMKRHKB-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccsc2)C1 ZINC001008773629 1336924736 /nfs/dbraw/zinc/92/47/36/1336924736.db2.gz YYESRWLVUSFACS-ROUUACIJSA-N 2 0 349.544 3.092 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009625675 1337048952 /nfs/dbraw/zinc/04/89/52/1337048952.db2.gz FZBOSEROIOQPDG-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001009634003 1337050798 /nfs/dbraw/zinc/05/07/98/1337050798.db2.gz IAUFVXVOMRIVHR-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)C2)o1 ZINC001009683569 1337059591 /nfs/dbraw/zinc/05/95/91/1337059591.db2.gz PKXZFNYYZYBRCJ-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001014430052 1337775979 /nfs/dbraw/zinc/77/59/79/1337775979.db2.gz AGQDFUQHVKTEPL-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001014707755 1337877507 /nfs/dbraw/zinc/87/75/07/1337877507.db2.gz UZVBRPBSMDJWEL-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001014708311 1337877661 /nfs/dbraw/zinc/87/76/61/1337877661.db2.gz VVKZKYYKAKNBOC-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001014720232 1337882553 /nfs/dbraw/zinc/88/25/53/1337882553.db2.gz CMSZLPQTDJFMTM-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014730915 1337890181 /nfs/dbraw/zinc/89/01/81/1337890181.db2.gz YMQATZJYTSSPRK-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731188 1337890236 /nfs/dbraw/zinc/89/02/36/1337890236.db2.gz ZWMVJGIWIUJBME-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731187 1337890362 /nfs/dbraw/zinc/89/03/62/1337890362.db2.gz ZWMVJGIWIUJBME-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001015596370 1338199955 /nfs/dbraw/zinc/19/99/55/1338199955.db2.gz BOXLDFINCLJJLM-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015791684 1338312375 /nfs/dbraw/zinc/31/23/75/1338312375.db2.gz KHZMTDXAGNGLPG-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015793968 1338313840 /nfs/dbraw/zinc/31/38/40/1338313840.db2.gz DIXNVXCRZBXMEN-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015977348 1338389182 /nfs/dbraw/zinc/38/91/82/1338389182.db2.gz UEMKLPJBTQSEMU-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001016338996 1338555789 /nfs/dbraw/zinc/55/57/89/1338555789.db2.gz MTPDIJYGDTXQCZ-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001016340474 1338556017 /nfs/dbraw/zinc/55/60/17/1338556017.db2.gz WTCCQOOHYRJXIV-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016689246 1338691722 /nfs/dbraw/zinc/69/17/22/1338691722.db2.gz XKPOYLVAEIWSDK-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016984548 1338792502 /nfs/dbraw/zinc/79/25/02/1338792502.db2.gz DYXMYRFIEDFZKF-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001017209581 1338955848 /nfs/dbraw/zinc/95/58/48/1338955848.db2.gz QRLCBBQHCOCWCI-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017228935 1338967449 /nfs/dbraw/zinc/96/74/49/1338967449.db2.gz UDBRAOVHRHHUDS-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618929 1339377849 /nfs/dbraw/zinc/37/78/49/1339377849.db2.gz VZEFHRGXGCNQRT-LMCOJAPRSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+]([C@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001017659485 1339385530 /nfs/dbraw/zinc/38/55/30/1339385530.db2.gz UKPYIQKHXCVCTK-IYWMVGAKSA-N 2 0 343.515 3.153 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017696299 1339393414 /nfs/dbraw/zinc/39/34/14/1339393414.db2.gz QQYUQCRXFBPELQ-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCC1 ZINC001018849261 1339737877 /nfs/dbraw/zinc/73/78/77/1339737877.db2.gz TVGFCJJNMREIAE-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001028252566 1340513212 /nfs/dbraw/zinc/51/32/12/1340513212.db2.gz YCIBSCZNNRPOSA-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001028252652 1340513384 /nfs/dbraw/zinc/51/33/84/1340513384.db2.gz ZZJXUULGZNKFOE-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCCC1)[C@@]12CC[NH+](C1)CCC2 ZINC001028288167 1340541490 /nfs/dbraw/zinc/54/14/90/1340541490.db2.gz BKLJJIGWPOGAHC-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028537700 1340693454 /nfs/dbraw/zinc/69/34/54/1340693454.db2.gz QJXKEZCPSRAUSM-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001028552921 1340698523 /nfs/dbraw/zinc/69/85/23/1340698523.db2.gz VXWGULWAJGYPOX-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028579866 1340712326 /nfs/dbraw/zinc/71/23/26/1340712326.db2.gz KEOLUKZHECKYLN-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594094 1340719838 /nfs/dbraw/zinc/71/98/38/1340719838.db2.gz AQZGBEHFZVBXLP-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755057 1340791338 /nfs/dbraw/zinc/79/13/38/1340791338.db2.gz FPVAZMBMOWBLOG-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001029111352 1340932437 /nfs/dbraw/zinc/93/24/37/1340932437.db2.gz GTBIZTHTFWJTHX-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029114282 1340933260 /nfs/dbraw/zinc/93/32/60/1340933260.db2.gz WXUURFSUTIOZBT-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001029114636 1340933387 /nfs/dbraw/zinc/93/33/87/1340933387.db2.gz DRNWENZMJGDYAG-PXNSSMCTSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(CC)CC)C1 ZINC001029436809 1340990124 /nfs/dbraw/zinc/99/01/24/1340990124.db2.gz HVJWUEQGTCUZSF-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001029755115 1341064031 /nfs/dbraw/zinc/06/40/31/1341064031.db2.gz HZUPBYCOLAYRTD-ICSRJNTNSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)CC1CCCCCC1 ZINC001029824098 1341086788 /nfs/dbraw/zinc/08/67/88/1341086788.db2.gz LXHTXJPLKLERDB-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001029858379 1341098082 /nfs/dbraw/zinc/09/80/82/1341098082.db2.gz BOXQMIFPZXRBKS-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)[C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001029972624 1341139862 /nfs/dbraw/zinc/13/98/62/1341139862.db2.gz KYJNCBKHQGSQTA-YLJYHZDGSA-N 2 0 345.531 3.258 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001030019296 1341159658 /nfs/dbraw/zinc/15/96/58/1341159658.db2.gz IDPKLACKJBVZIV-BJLQDIEVSA-N 2 0 345.531 3.223 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001030020178 1341159664 /nfs/dbraw/zinc/15/96/64/1341159664.db2.gz PRNUPINADOVBGF-WSTZPKSXSA-N 2 0 343.515 3.039 20 0 EGADRP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001030306091 1341177550 /nfs/dbraw/zinc/17/75/50/1341177550.db2.gz KATPQWZHURSHIY-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC001031188396 1341292186 /nfs/dbraw/zinc/29/21/86/1341292186.db2.gz KNNUSFAIOSYWHU-ROUUACIJSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001031254460 1341304253 /nfs/dbraw/zinc/30/42/53/1341304253.db2.gz SLTPKRCBOUASHB-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072886268 1355485149 /nfs/dbraw/zinc/48/51/49/1355485149.db2.gz MQYYRMLKSSYDPL-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001032119143 1341458538 /nfs/dbraw/zinc/45/85/38/1341458538.db2.gz HAEQXYXBXFBKLQ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032664347 1341575942 /nfs/dbraw/zinc/57/59/42/1341575942.db2.gz YKPPUMGGOFPFJE-UFYCRDLUSA-N 2 0 347.547 3.115 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033074496 1341716092 /nfs/dbraw/zinc/71/60/92/1341716092.db2.gz ANZKAMULRIKZFM-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144666 1341738629 /nfs/dbraw/zinc/73/86/29/1341738629.db2.gz ACYLNSCIILJZMP-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033145573 1341738896 /nfs/dbraw/zinc/73/88/96/1341738896.db2.gz IGDWOVNOYNGRBH-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033214368 1341754236 /nfs/dbraw/zinc/75/42/36/1341754236.db2.gz SWLQNXVIRZJPIH-SFHVURJKSA-N 2 0 342.487 3.225 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033359682 1341796250 /nfs/dbraw/zinc/79/62/50/1341796250.db2.gz AOSLWYQZKADVME-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033422634 1341821491 /nfs/dbraw/zinc/82/14/91/1341821491.db2.gz HXHPZJSZPIBGMC-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699547 1341966457 /nfs/dbraw/zinc/96/64/57/1341966457.db2.gz OGRAAURWKAPRBP-INIZCTEOSA-N 2 0 335.492 3.068 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033825145 1342026383 /nfs/dbraw/zinc/02/63/83/1342026383.db2.gz AQOSHLBKFWAMIR-ZWKOTPCHSA-N 2 0 349.544 3.044 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033836089 1342034955 /nfs/dbraw/zinc/03/49/55/1342034955.db2.gz LFIQQYFQJBBCER-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033941208 1342102748 /nfs/dbraw/zinc/10/27/48/1342102748.db2.gz NIRHDTCSRCEUEL-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033953370 1342111554 /nfs/dbraw/zinc/11/15/54/1342111554.db2.gz LCSLQHOWNADJTL-FQEVSTJZSA-N 2 0 345.531 3.127 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001034046212 1342186173 /nfs/dbraw/zinc/18/61/73/1342186173.db2.gz QPVVECZCSOYRMW-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001034214758 1342321798 /nfs/dbraw/zinc/32/17/98/1342321798.db2.gz PXURVTZNGZPMHR-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034238499 1342339324 /nfs/dbraw/zinc/33/93/24/1342339324.db2.gz CQOSFXGMWACWHH-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034241285 1342341631 /nfs/dbraw/zinc/34/16/31/1342341631.db2.gz XGOMOSOPWFGXQK-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258543 1342351772 /nfs/dbraw/zinc/35/17/72/1342351772.db2.gz YXZQLQQHJCMGJI-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034332487 1342406893 /nfs/dbraw/zinc/40/68/93/1342406893.db2.gz ZNBPKZFIOPGCDK-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364093 1342434124 /nfs/dbraw/zinc/43/41/24/1342434124.db2.gz QIEZKVHTJUKPIL-YTQUADARSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC=C(C)C)C2)C1 ZINC001034367951 1342437720 /nfs/dbraw/zinc/43/77/20/1342437720.db2.gz ITWXUYJIYGQSBV-MOPGFXCFSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001034385358 1342453474 /nfs/dbraw/zinc/45/34/74/1342453474.db2.gz LFNTXAVHATUPKC-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034397752 1342464472 /nfs/dbraw/zinc/46/44/72/1342464472.db2.gz LEBPRZBGKVVDIC-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001034437035 1342498939 /nfs/dbraw/zinc/49/89/39/1342498939.db2.gz CUNKFBDUOXWBMS-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034528541 1342585352 /nfs/dbraw/zinc/58/53/52/1342585352.db2.gz OZZSTBQYXMWKRQ-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034538135 1342595347 /nfs/dbraw/zinc/59/53/47/1342595347.db2.gz JCMRDWXZCGSEFD-MSOLQXFVSA-N 2 0 349.544 3.093 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@H+](C/C=C\Cl)C2)c1 ZINC001034538689 1342596178 /nfs/dbraw/zinc/59/61/78/1342596178.db2.gz VILYILSUWAJJOO-TWVNLXSWSA-N 2 0 349.906 3.085 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034538314 1342596664 /nfs/dbraw/zinc/59/66/64/1342596664.db2.gz LNTRRPCEONJFRE-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034539075 1342598023 /nfs/dbraw/zinc/59/80/23/1342598023.db2.gz VEAQZMVNVLVIHV-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CC(C)C)C2)o1 ZINC001034543848 1342604881 /nfs/dbraw/zinc/60/48/81/1342604881.db2.gz BAQDWYKDROSQPC-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001034698481 1342697757 /nfs/dbraw/zinc/69/77/57/1342697757.db2.gz MNQRPIQXNQUOMG-UFYCRDLUSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034738849 1342729957 /nfs/dbraw/zinc/72/99/57/1342729957.db2.gz WIYBGWNYEAEHCQ-AFYVEPGGSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001034775484 1342753009 /nfs/dbraw/zinc/75/30/09/1342753009.db2.gz ASDJVFNERKTPHO-ZULIPRJHSA-N 2 0 343.515 3.106 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001034775552 1342753390 /nfs/dbraw/zinc/75/33/90/1342753390.db2.gz CNKQUYKTOYDHHG-UFYCRDLUSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001034792207 1342761102 /nfs/dbraw/zinc/76/11/02/1342761102.db2.gz ASMGRYJQNZOGFS-VAMGGRTRSA-N 2 0 343.515 3.251 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034795996 1342762485 /nfs/dbraw/zinc/76/24/85/1342762485.db2.gz BBIDGQNJNFQGDE-BMOGMMAESA-N 2 0 343.515 3.076 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034982681 1342864098 /nfs/dbraw/zinc/86/40/98/1342864098.db2.gz MZJVIVFNVOSKJA-GOSISDBHSA-N 2 0 338.455 3.029 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001035011447 1342875387 /nfs/dbraw/zinc/87/53/87/1342875387.db2.gz XLXQMIJZYHWQIE-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F)[NH+](C)C ZINC001035038941 1342891999 /nfs/dbraw/zinc/89/19/99/1342891999.db2.gz QITDDPTXFJYCDF-GPMSIDNRSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1 ZINC001035200066 1343013402 /nfs/dbraw/zinc/01/34/02/1343013402.db2.gz WYIIUMUPMFSITQ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC2 ZINC001035219514 1343040001 /nfs/dbraw/zinc/04/00/01/1343040001.db2.gz XIHHFPZGJPTMJG-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035227136 1343048221 /nfs/dbraw/zinc/04/82/21/1343048221.db2.gz OOFXLISDXQGJBJ-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035247217 1343070611 /nfs/dbraw/zinc/07/06/11/1343070611.db2.gz TXYBWLCIYRBORL-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810213 1343210095 /nfs/dbraw/zinc/21/00/95/1343210095.db2.gz JSNFHFGHCHUQFF-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CC3CCC3)C2)CC1 ZINC001036453075 1343495869 /nfs/dbraw/zinc/49/58/69/1343495869.db2.gz CNDZZDXWZWESSN-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717423 1343649067 /nfs/dbraw/zinc/64/90/67/1343649067.db2.gz VRUMTEYKNNMVTQ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793415 1343725660 /nfs/dbraw/zinc/72/56/60/1343725660.db2.gz DZZBNZLLUUWEDD-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842082 1343780984 /nfs/dbraw/zinc/78/09/84/1343780984.db2.gz JXHVUFWBPCHSBR-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001037044401 1343946131 /nfs/dbraw/zinc/94/61/31/1343946131.db2.gz DJEDURUBPSJGLM-XLIONFOSSA-N 2 0 348.450 3.023 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001037240759 1344063254 /nfs/dbraw/zinc/06/32/54/1344063254.db2.gz MIJOIDLJDQDZTP-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037854707 1344140976 /nfs/dbraw/zinc/14/09/76/1344140976.db2.gz MEXQVWLJUJMPOK-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037951594 1344199743 /nfs/dbraw/zinc/19/97/43/1344199743.db2.gz SRPVGENBCFIMPD-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1CCCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247117 1344343185 /nfs/dbraw/zinc/34/31/85/1344343185.db2.gz GNKSIFRLRFWVQH-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038320220 1344378549 /nfs/dbraw/zinc/37/85/49/1344378549.db2.gz HJFQTMZKGVJDQY-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038467334 1344437505 /nfs/dbraw/zinc/43/75/05/1344437505.db2.gz ZHKAEQTZTAPWIG-QUCCMNQESA-N 2 0 348.450 3.290 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001038518642 1344462786 /nfs/dbraw/zinc/46/27/86/1344462786.db2.gz FAZLXCJJZBMMKY-OXJNMPFZSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCC1 ZINC001038782478 1344582603 /nfs/dbraw/zinc/58/26/03/1344582603.db2.gz UASUQPDSCXBDQM-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001038908412 1344646360 /nfs/dbraw/zinc/64/63/60/1344646360.db2.gz JYJQMKMQVKZXIL-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039112825 1344784755 /nfs/dbraw/zinc/78/47/55/1344784755.db2.gz IZGXFVDCSJOMDE-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001039232124 1344951686 /nfs/dbraw/zinc/95/16/86/1344951686.db2.gz SZSSIOTVZJTPGJ-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447788 1345072401 /nfs/dbraw/zinc/07/24/01/1345072401.db2.gz KAQLXYAFTPUQLL-AQNXPRMDSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240043 1345390113 /nfs/dbraw/zinc/39/01/13/1345390113.db2.gz CFCZCCVTNSXJSX-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040242176 1345392500 /nfs/dbraw/zinc/39/25/00/1345392500.db2.gz WZDQBKNGQCKJDC-CTNGQTDRSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040393422 1345473559 /nfs/dbraw/zinc/47/35/59/1345473559.db2.gz BOUXNXLUICNRTA-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2)[NH+](C)C ZINC001040398462 1345475507 /nfs/dbraw/zinc/47/55/07/1345475507.db2.gz ISYFOGZAERQPEI-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCC1)C2)[NH+](C)C ZINC001040398041 1345475698 /nfs/dbraw/zinc/47/56/98/1345475698.db2.gz CRZIWRXQMIVNKP-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001040398836 1345476300 /nfs/dbraw/zinc/47/63/00/1345476300.db2.gz JRZVSQSUKGBMBQ-GHTZIAJQSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040544863 1345539533 /nfs/dbraw/zinc/53/95/33/1345539533.db2.gz LHXMKKDGYOLOGK-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545415 1345540582 /nfs/dbraw/zinc/54/05/82/1345540582.db2.gz PRDAJFSLSLKVJY-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757287 1345575695 /nfs/dbraw/zinc/57/56/95/1345575695.db2.gz QRMMGEODCQBZDS-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001040799306 1345578938 /nfs/dbraw/zinc/57/89/38/1345578938.db2.gz ZLMPNPUTLLOTIA-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001040893794 1345595066 /nfs/dbraw/zinc/59/50/66/1345595066.db2.gz CTMLEPUWBKZBKH-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040912501 1345598850 /nfs/dbraw/zinc/59/88/50/1345598850.db2.gz OXUXWSXQDAAXNS-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040953240 1345609383 /nfs/dbraw/zinc/60/93/83/1345609383.db2.gz LYTWGIMTNGBDMV-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041278334 1345692217 /nfs/dbraw/zinc/69/22/17/1345692217.db2.gz URUCTWMSEAEMPZ-NQIIRXRSSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041278333 1345692724 /nfs/dbraw/zinc/69/27/24/1345692724.db2.gz URUCTWMSEAEMPZ-GHTZIAJQSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041599594 1345788214 /nfs/dbraw/zinc/78/82/14/1345788214.db2.gz IGRLSJWLYZPQDU-HFSMHLIXSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756415 1345840937 /nfs/dbraw/zinc/84/09/37/1345840937.db2.gz HOEVAFKLQDVGMP-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630354 1346387998 /nfs/dbraw/zinc/38/79/98/1346387998.db2.gz VURIZRPUFLZGAV-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044742537 1346418513 /nfs/dbraw/zinc/41/85/13/1346418513.db2.gz HXEUSHQVSQNXKU-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC001044807202 1346432067 /nfs/dbraw/zinc/43/20/67/1346432067.db2.gz IBKAGLOVQYDMFG-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044879765 1346453288 /nfs/dbraw/zinc/45/32/88/1346453288.db2.gz QPRNLKXLJTVFHW-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045322390 1346559978 /nfs/dbraw/zinc/55/99/78/1346559978.db2.gz PHWLAXFVHKHMCY-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CCC(C)(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001045390269 1346580652 /nfs/dbraw/zinc/58/06/52/1346580652.db2.gz PQOAASARMVAOGG-MJGOQNOKSA-N 2 0 343.515 3.121 20 0 EGADRP CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045585051 1346637730 /nfs/dbraw/zinc/63/77/30/1346637730.db2.gz MHSHVQKIZUBPHV-MOPGFXCFSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045608554 1346646310 /nfs/dbraw/zinc/64/63/10/1346646310.db2.gz PNBBPAYXKJLTKF-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2(C)CC[NH+](CCC3CC3)CC2)c1 ZINC001045646402 1346657824 /nfs/dbraw/zinc/65/78/24/1346657824.db2.gz IMMBVPADOYFNDA-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1)C1CCC1 ZINC001045794875 1346700387 /nfs/dbraw/zinc/70/03/87/1346700387.db2.gz DKJVXFCBQHGHCO-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045944216 1346780260 /nfs/dbraw/zinc/78/02/60/1346780260.db2.gz ZZCTWXOBPHPSOK-CTNGQTDRSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)[NH+](C)C ZINC001045945650 1346781456 /nfs/dbraw/zinc/78/14/56/1346781456.db2.gz WFFPAYUPQOPHTK-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045966036 1346801315 /nfs/dbraw/zinc/80/13/15/1346801315.db2.gz YIVFACXBHQYSGK-QUCCMNQESA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972563 1346808478 /nfs/dbraw/zinc/80/84/78/1346808478.db2.gz DSXSKEOASMAEHB-PZJWPPBQSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC)C2)C1 ZINC001045978716 1346815135 /nfs/dbraw/zinc/81/51/35/1346815135.db2.gz GNUTVBYASRZZCA-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045982482 1346821920 /nfs/dbraw/zinc/82/19/20/1346821920.db2.gz AKELMTQPNIZBHQ-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@]1(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](CCC2CC2)C1 ZINC001046315509 1346931440 /nfs/dbraw/zinc/93/14/40/1346931440.db2.gz XBORKRGPRDGANX-NQIIRXRSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001046316368 1346932270 /nfs/dbraw/zinc/93/22/70/1346932270.db2.gz PFILETUHEMVOKV-QUCCMNQESA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001046561950 1347018075 /nfs/dbraw/zinc/01/80/75/1347018075.db2.gz JYCMGIBOPRLRIV-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CCC(C)(C)C)C2)cc1 ZINC001046707097 1347068846 /nfs/dbraw/zinc/06/88/46/1347068846.db2.gz OUXDIHLQIQVDPM-OAQYLSRUSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@]1(NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@H+](CCC2CCCCC2)C1 ZINC001046806873 1347112304 /nfs/dbraw/zinc/11/23/04/1347112304.db2.gz UYRPAQICKJJVQG-RTWAWAEBSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2)[NH+]1CCCC1 ZINC001047120245 1347212446 /nfs/dbraw/zinc/21/24/46/1347212446.db2.gz CKEFFFPPUODFLI-FHWLQOOXSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047240953 1347266749 /nfs/dbraw/zinc/26/67/49/1347266749.db2.gz LYMCNXBYNXJZDA-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244431 1347270046 /nfs/dbraw/zinc/27/00/46/1347270046.db2.gz RCIVEHHKUPAJFT-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](CC3CCC3)CC2)C1)[NH+](C)C ZINC001047256477 1347279704 /nfs/dbraw/zinc/27/97/04/1347279704.db2.gz KVBMQAFVPBNDGM-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047257178 1347280050 /nfs/dbraw/zinc/28/00/50/1347280050.db2.gz PFZQDCFRHVJQNQ-UYAOXDASSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001047257835 1347280675 /nfs/dbraw/zinc/28/06/75/1347280675.db2.gz QBJDPNPOYFEDLL-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047987461 1347435054 /nfs/dbraw/zinc/43/50/54/1347435054.db2.gz BISOHVWUPKILLT-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048070145 1347458795 /nfs/dbraw/zinc/45/87/95/1347458795.db2.gz ZKQBFKSHKSAZPP-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048069340 1347458813 /nfs/dbraw/zinc/45/88/13/1347458813.db2.gz PLWXVIPUFVVHON-QUCCMNQESA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001048276412 1347508617 /nfs/dbraw/zinc/50/86/17/1347508617.db2.gz GYKBYNDGDQJNFR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001048282326 1347509433 /nfs/dbraw/zinc/50/94/33/1347509433.db2.gz ZXKGNOSPVISHLE-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589823 1347609044 /nfs/dbraw/zinc/60/90/44/1347609044.db2.gz AQNJPRNIBNUDMX-UHZRXMQZSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478561 1347868546 /nfs/dbraw/zinc/86/85/46/1347868546.db2.gz PTZVZCFRXGFZQL-FHWLQOOXSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC2CCCC2)CCC1 ZINC001049517668 1347888616 /nfs/dbraw/zinc/88/86/16/1347888616.db2.gz LUQXJRAXESVTFW-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563807 1347911455 /nfs/dbraw/zinc/91/14/55/1347911455.db2.gz DTSXFRXOIZWMHO-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001049671458 1347965709 /nfs/dbraw/zinc/96/57/09/1347965709.db2.gz LJSUGPPUNPZGMC-INDMIFKZSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001049671457 1347965922 /nfs/dbraw/zinc/96/59/22/1347965922.db2.gz LJSUGPPUNPZGMC-CADBVGFASA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049703662 1347981362 /nfs/dbraw/zinc/98/13/62/1347981362.db2.gz LXKGBBOBAYZDQJ-RCCFBDPRSA-N 2 0 337.552 3.074 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC(C)(C)C)CC1 ZINC001049804689 1348027826 /nfs/dbraw/zinc/02/78/26/1348027826.db2.gz HLDBYURNMQSYSH-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1=CCCCC1 ZINC001049897877 1348098893 /nfs/dbraw/zinc/09/88/93/1348098893.db2.gz VFPVCBRWFJBCGR-PMACEKPBSA-N 2 0 345.531 3.038 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913992 1348109017 /nfs/dbraw/zinc/10/90/17/1348109017.db2.gz LCCJICDJAXBJBM-AQNXPRMDSA-N 2 0 349.563 3.218 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001050351794 1348234348 /nfs/dbraw/zinc/23/43/48/1348234348.db2.gz LTDNOVBIODGMPX-ASUHFHQRSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)CC2)[NH+](C)C ZINC001050561521 1348289883 /nfs/dbraw/zinc/28/98/83/1348289883.db2.gz VZBYAZDHQYBHNK-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050765450 1348351888 /nfs/dbraw/zinc/35/18/88/1348351888.db2.gz QMGMUPKQMQXOJA-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCc2c(CNC(=O)c3ccn4c[nH+]cc4c3)cccc2C1 ZINC001051292727 1348422264 /nfs/dbraw/zinc/42/22/64/1348422264.db2.gz DCXCJKUUVZYLRK-UHFFFAOYSA-N 2 0 348.450 3.032 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052499155 1348559426 /nfs/dbraw/zinc/55/94/26/1348559426.db2.gz OTAHAYHHFZJCRW-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc2c[nH+]cn2c1 ZINC001052561965 1348579833 /nfs/dbraw/zinc/57/98/33/1348579833.db2.gz GMXXXHFSOPUWSA-LJQANCHMSA-N 2 0 348.450 3.119 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1)[NH+]1CCCC1 ZINC001052621251 1348598350 /nfs/dbraw/zinc/59/83/50/1348598350.db2.gz ZFTUCQHMRDOUAX-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001052716869 1348646339 /nfs/dbraw/zinc/64/63/39/1348646339.db2.gz QDYYPBLWYGQCJW-MAUKXSAKSA-N 2 0 349.544 3.012 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC001052717295 1348646685 /nfs/dbraw/zinc/64/66/85/1348646685.db2.gz VNKGTUSZRGAUBG-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052762754 1348668020 /nfs/dbraw/zinc/66/80/20/1348668020.db2.gz BQUDEYVEABQDKM-RTBURBONSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001052901652 1348734903 /nfs/dbraw/zinc/73/49/03/1348734903.db2.gz UYYSAGMZGKJNRV-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001052936225 1348755738 /nfs/dbraw/zinc/75/57/38/1348755738.db2.gz YXCUIEFVBOIXPN-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052955066 1348768470 /nfs/dbraw/zinc/76/84/70/1348768470.db2.gz YGWZEUXWPHVHFB-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)CC2)c1 ZINC001052954973 1348768757 /nfs/dbraw/zinc/76/87/57/1348768757.db2.gz XNLWSLDUISSYOC-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052955567 1348770030 /nfs/dbraw/zinc/77/00/30/1348770030.db2.gz HHXYJMXYSIJISW-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038664 1348839788 /nfs/dbraw/zinc/83/97/88/1348839788.db2.gz ABPDNMWPOBUCQB-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050625 1348853502 /nfs/dbraw/zinc/85/35/02/1348853502.db2.gz GSRIJBNYYZPBLF-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053055065 1348862785 /nfs/dbraw/zinc/86/27/85/1348862785.db2.gz VHGYGUKEKMNADB-WOJBJXKFSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001053090780 1348916058 /nfs/dbraw/zinc/91/60/58/1348916058.db2.gz IODSOGRNDZELKF-HKUYNNGSSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054140632 1349152225 /nfs/dbraw/zinc/15/22/25/1349152225.db2.gz RHOLMJSTFXQLOR-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001054183708 1349186938 /nfs/dbraw/zinc/18/69/38/1349186938.db2.gz OQNGWMDMTXBTLE-CTNGQTDRSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001054197389 1349199114 /nfs/dbraw/zinc/19/91/14/1349199114.db2.gz ARPRJMZSUOHLQH-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054724931 1349447903 /nfs/dbraw/zinc/44/79/03/1349447903.db2.gz ABSBTRWMSYWMGU-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054728161 1349448594 /nfs/dbraw/zinc/44/85/94/1349448594.db2.gz YUCUPTIUKGRBSH-YOEHRIQHSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254977 1357537516 /nfs/dbraw/zinc/53/75/16/1357537516.db2.gz KTDFLQYNRLQADM-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)c2ccccc2)C1 ZINC001183082420 1387259452 /nfs/dbraw/zinc/25/94/52/1387259452.db2.gz UPHJDWLJNYLEPO-DBXWQHBBSA-N 2 0 345.531 3.164 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984440 1358937522 /nfs/dbraw/zinc/93/75/22/1358937522.db2.gz DCOBIQJPUHJEQQ-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@@H+]1CC1CCCC1 ZINC001071600062 1354787595 /nfs/dbraw/zinc/78/75/95/1354787595.db2.gz FMGJMLMVCDUGEU-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1=CCCCC1 ZINC001071821290 1354961155 /nfs/dbraw/zinc/96/11/55/1354961155.db2.gz MEOLKTLSNGOGFY-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001071919812 1355024542 /nfs/dbraw/zinc/02/45/42/1355024542.db2.gz IGADZJKBZJQZQW-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001071954572 1355041162 /nfs/dbraw/zinc/04/11/62/1355041162.db2.gz QWGRFCWMSVFKCK-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCCC1CCCC1 ZINC001072081379 1355119422 /nfs/dbraw/zinc/11/94/22/1355119422.db2.gz KRKXHMQOSMOKMF-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1CCC1CC1 ZINC001072096222 1355127278 /nfs/dbraw/zinc/12/72/78/1355127278.db2.gz VPTBSSIULBRKTB-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)C1 ZINC001073125680 1355610403 /nfs/dbraw/zinc/61/04/03/1355610403.db2.gz FDVOQSOXBVHPCH-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001183240617 1387283778 /nfs/dbraw/zinc/28/37/78/1387283778.db2.gz MSPSDXNNLNECKY-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001074063778 1356061923 /nfs/dbraw/zinc/06/19/23/1356061923.db2.gz SXVUXPJNIWKAOA-PKOBYXMFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001074653766 1356221114 /nfs/dbraw/zinc/22/11/14/1356221114.db2.gz NJCOAFYOVHUCKT-HQRMLTQVSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074663105 1356222330 /nfs/dbraw/zinc/22/23/30/1356222330.db2.gz IKBACSJSYXLJDH-FRYIKTPZSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H]1C)[NH+](C)C ZINC001074885829 1356279530 /nfs/dbraw/zinc/27/95/30/1356279530.db2.gz ZAXYAOXTVAIRFD-VDGAXYAQSA-N 2 0 345.531 3.229 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082544432 1358057201 /nfs/dbraw/zinc/05/72/01/1358057201.db2.gz CLFSQJINENFTGT-RLLQIKCJSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345891 1358197112 /nfs/dbraw/zinc/19/71/12/1358197112.db2.gz SRVXMAHOGMMFRZ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)C1 ZINC001085306762 1358461577 /nfs/dbraw/zinc/46/15/77/1358461577.db2.gz PIJRDOZVSNOQGF-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)C1 ZINC001085332660 1358470435 /nfs/dbraw/zinc/47/04/35/1358470435.db2.gz HSFRWGSTQUCIBQ-MISYRCLQSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CC2)c1 ZINC001085432365 1358498370 /nfs/dbraw/zinc/49/83/70/1358498370.db2.gz VELIXJVEOANLOM-WOJBJXKFSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085639840 1358653928 /nfs/dbraw/zinc/65/39/28/1358653928.db2.gz XDGULNHCPRYXAL-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085685924 1358686523 /nfs/dbraw/zinc/68/65/23/1358686523.db2.gz FFIJKSYUDAJANZ-SFHVURJKSA-N 2 0 342.487 3.225 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085687096 1358688464 /nfs/dbraw/zinc/68/84/64/1358688464.db2.gz ICGCLECFZDFCRO-RTBURBONSA-N 2 0 349.563 3.076 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183826036 1387355026 /nfs/dbraw/zinc/35/50/26/1387355026.db2.gz FMFXOOYSLDBRJJ-JTGQJZMRSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085856446 1358824365 /nfs/dbraw/zinc/82/43/65/1358824365.db2.gz ZBRPJQNQISLVLL-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001183845548 1387357945 /nfs/dbraw/zinc/35/79/45/1387357945.db2.gz OPVQKALHHFPZLN-MRXNPFEDSA-N 2 0 342.487 3.273 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917169 1358877314 /nfs/dbraw/zinc/87/73/14/1358877314.db2.gz SAUHXULUFSZRQE-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086198666 1359024999 /nfs/dbraw/zinc/02/49/99/1359024999.db2.gz ASVRKZPHANJVDX-IJXRJRJASA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086253733 1359042886 /nfs/dbraw/zinc/04/28/86/1359042886.db2.gz SIRMINBPTABSSD-ZRNYENFQSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001086466548 1359108156 /nfs/dbraw/zinc/10/81/56/1359108156.db2.gz IWOHHYFETQHJBS-JPLJXNOCSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086497288 1359120426 /nfs/dbraw/zinc/12/04/26/1359120426.db2.gz FZCKMLXHYPGTCR-BHIYHBOVSA-N 2 0 349.563 3.170 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086711790 1359190181 /nfs/dbraw/zinc/19/01/81/1359190181.db2.gz BLXCTGUAWXREFB-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC(C)C)CC2)[NH+](C)C ZINC001086929265 1359253678 /nfs/dbraw/zinc/25/36/78/1359253678.db2.gz BMTGQOLWLBSYFI-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP C[NH+](C)CCCCC(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001184061312 1387385440 /nfs/dbraw/zinc/38/54/40/1387385440.db2.gz JTMWDOKODKPQPO-IYARVYRRSA-N 2 0 349.494 3.156 20 0 EGADRP CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001086957828 1359278938 /nfs/dbraw/zinc/27/89/38/1359278938.db2.gz WZXXMMPGEZKVOR-QGZVFWFLSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087175045 1359313477 /nfs/dbraw/zinc/31/34/77/1359313477.db2.gz SPFCEPQTUYCIHL-HOJAQTOUSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001087523390 1359509814 /nfs/dbraw/zinc/50/98/14/1359509814.db2.gz UNCUVUIMVWKLQG-IPMKNSEASA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1CC ZINC001087593668 1359547238 /nfs/dbraw/zinc/54/72/38/1359547238.db2.gz QDTVZTQZHKYCRM-XUVXKRRUSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602610 1359551219 /nfs/dbraw/zinc/55/12/19/1359551219.db2.gz WLTFZYGMBPJGKA-OTWHNJEPSA-N 2 0 335.536 3.163 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC[N@@H+]1CC1CCCC1 ZINC001087636314 1359565456 /nfs/dbraw/zinc/56/54/56/1359565456.db2.gz KLGUANOXAQLEOE-XUVXKRRUSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CCC1CCCCC1 ZINC001087726768 1359613754 /nfs/dbraw/zinc/61/37/54/1359613754.db2.gz RNCZUQDTFZISSK-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CC[C@@H](C)F ZINC001087840730 1359674979 /nfs/dbraw/zinc/67/49/79/1359674979.db2.gz LAAHOTQWVPRCLE-AYOQOUSVSA-N 2 0 349.494 3.079 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001088425373 1359893726 /nfs/dbraw/zinc/89/37/26/1359893726.db2.gz ULLTZBDGGBYPOH-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431484 1359899014 /nfs/dbraw/zinc/89/90/14/1359899014.db2.gz XNBUJJOQJHKJHC-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088431265 1359899132 /nfs/dbraw/zinc/89/91/32/1359899132.db2.gz NZNHJCYPBFGPTK-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCc2ccccc2N1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001323679823 1387421877 /nfs/dbraw/zinc/42/18/77/1387421877.db2.gz FKSNDIKYKYGZSO-QGZVFWFLSA-N 2 0 327.516 3.292 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088563841 1359974636 /nfs/dbraw/zinc/97/46/36/1359974636.db2.gz ISXFRVNMRZEWJJ-YZGWKJHDSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088563337 1359974707 /nfs/dbraw/zinc/97/47/07/1359974707.db2.gz MYVAMUHVVCDVOO-NEWSRXKRSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001088567566 1359977017 /nfs/dbraw/zinc/97/70/17/1359977017.db2.gz VYRSDVZRLCJPQC-MJGOQNOKSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CC1=CCCCC1 ZINC001088709756 1360017199 /nfs/dbraw/zinc/01/71/99/1360017199.db2.gz SYWBYKCVCNHFEV-BEFAXECRSA-N 2 0 338.455 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088810118 1360059154 /nfs/dbraw/zinc/05/91/54/1360059154.db2.gz HHNWONMGFFAXPV-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088811085 1360060299 /nfs/dbraw/zinc/06/02/99/1360060299.db2.gz KIECPCYUPYUGKX-HOJAQTOUSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088970547 1360119958 /nfs/dbraw/zinc/11/99/58/1360119958.db2.gz FHHQSZLQTNUZTP-HOJAQTOUSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCC(C)(C)C ZINC001089058875 1360153124 /nfs/dbraw/zinc/15/31/24/1360153124.db2.gz NPOJZARCPGWNEN-APWZRJJASA-N 2 0 345.531 3.377 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCC3CC3)[C@@H]2C)o1 ZINC001089070478 1360159294 /nfs/dbraw/zinc/15/92/94/1360159294.db2.gz HIYKWNSQZDSUDY-QAPCUYQASA-N 2 0 347.503 3.114 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCCC2)C1 ZINC001089226948 1360268224 /nfs/dbraw/zinc/26/82/24/1360268224.db2.gz MNMVKWVJHUWXMS-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334750 1360348269 /nfs/dbraw/zinc/34/82/69/1360348269.db2.gz KGBQOKOFBTVTTK-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP CC1(C)C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+](CCC2CC2)C1 ZINC001089430572 1360422112 /nfs/dbraw/zinc/42/21/12/1360422112.db2.gz OYQZCJQICOOIQY-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089511815 1360483279 /nfs/dbraw/zinc/48/32/79/1360483279.db2.gz VVYJHCBEVDKXRQ-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089516300 1360486327 /nfs/dbraw/zinc/48/63/27/1360486327.db2.gz DXAVZRCKOOEHCB-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536271 1360495296 /nfs/dbraw/zinc/49/52/96/1360495296.db2.gz APGLIHANHOVNMA-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089564797 1360511160 /nfs/dbraw/zinc/51/11/60/1360511160.db2.gz JJWQDJAFDZTYHP-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664821 1360574742 /nfs/dbraw/zinc/57/47/42/1360574742.db2.gz ONOWOMFHJKWSRG-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2=CCCCC2)C1 ZINC001089731953 1360636369 /nfs/dbraw/zinc/63/63/69/1360636369.db2.gz ITQRRAHRYKKZRR-RBUKOAKNSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2)[NH+](CC)CC ZINC001323831920 1387468570 /nfs/dbraw/zinc/46/85/70/1387468570.db2.gz JKNFENPCWHMFDY-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091026573 1360982208 /nfs/dbraw/zinc/98/22/08/1360982208.db2.gz RCIJUCAMSHNHIU-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC001091198764 1361004617 /nfs/dbraw/zinc/00/46/17/1361004617.db2.gz SMKGIDZKYFMUHZ-GPJFCIFZSA-N 2 0 347.547 3.093 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)C1CCCCC1 ZINC001184609303 1387500032 /nfs/dbraw/zinc/50/00/32/1387500032.db2.gz LFSMTHWHBCYOFQ-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092602583 1361419622 /nfs/dbraw/zinc/41/96/22/1361419622.db2.gz FTRHBULFKKKGJK-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092658336 1361434218 /nfs/dbraw/zinc/43/42/18/1361434218.db2.gz QANDEGMDYCZKDB-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184724718 1387521317 /nfs/dbraw/zinc/52/13/17/1387521317.db2.gz OOIYFBFZJHKSBW-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093765269 1361693513 /nfs/dbraw/zinc/69/35/13/1361693513.db2.gz AOCIFYCWESXOAE-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)C)ccc2c[nH+]cn21 ZINC001095660568 1362198056 /nfs/dbraw/zinc/19/80/56/1362198056.db2.gz JHCUCOXTOSKTPA-MNEFBYGVSA-N 2 0 340.471 3.024 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001324263420 1387574053 /nfs/dbraw/zinc/57/40/53/1387574053.db2.gz LKPBHIXUZYKLJI-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CCc1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC2)cc1 ZINC001324340067 1387598980 /nfs/dbraw/zinc/59/89/80/1387598980.db2.gz PSTJZUGHKJNLDY-LJQANCHMSA-N 2 0 345.531 3.060 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579712 1363060364 /nfs/dbraw/zinc/06/03/64/1363060364.db2.gz AWPJAPORVGOLJX-YSTOQKLRSA-N 2 0 347.547 3.019 20 0 EGADRP CN(C)c1ncccc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC001324358011 1387607903 /nfs/dbraw/zinc/60/79/03/1387607903.db2.gz HUAIOTZYLKOYMN-UHFFFAOYSA-N 2 0 344.528 3.211 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705559 1363105749 /nfs/dbraw/zinc/10/57/49/1363105749.db2.gz QTPRIEUISHZEDQ-ZRNYENFQSA-N 2 0 347.547 3.305 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)CC[N@@H+]1C ZINC001097720803 1363108353 /nfs/dbraw/zinc/10/83/53/1363108353.db2.gz FHHPEXKBIOCPDN-FLNBYBTLSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098037694 1363203614 /nfs/dbraw/zinc/20/36/14/1363203614.db2.gz ZINDPHUGSUPPRM-OBZTUIKSSA-N 2 0 343.515 3.129 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001185089632 1387615949 /nfs/dbraw/zinc/61/59/49/1387615949.db2.gz BOVJTKXAUVFUCP-PWBPZBFBSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001098191643 1363250540 /nfs/dbraw/zinc/25/05/40/1363250540.db2.gz MDRCBGVHLPTPQH-AKHDSKFASA-N 2 0 335.536 3.019 20 0 EGADRP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001098822028 1363482875 /nfs/dbraw/zinc/48/28/75/1363482875.db2.gz VZSUZROYAPNHIO-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1=CCCCC1 ZINC001099215512 1363696611 /nfs/dbraw/zinc/69/66/11/1363696611.db2.gz WIECGVDJABNEEE-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001099349017 1363765545 /nfs/dbraw/zinc/76/55/45/1363765545.db2.gz NHBZJBHSCZBMOW-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100319356 1364079183 /nfs/dbraw/zinc/07/91/83/1364079183.db2.gz IZNYPQXEDMWUQN-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100406011 1364104092 /nfs/dbraw/zinc/10/40/92/1364104092.db2.gz XKLZVIZLKVTWGF-TVPLGVNVSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100460052 1364122143 /nfs/dbraw/zinc/12/21/43/1364122143.db2.gz NDVZVEZOHKFWCW-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001100467889 1364125622 /nfs/dbraw/zinc/12/56/22/1364125622.db2.gz SGWDQKXTPUQKGU-UHFFFAOYSA-N 2 0 342.487 3.321 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2CC([NH2+]CC3CCCCC3)C2)CCCC1 ZINC001100538335 1364151505 /nfs/dbraw/zinc/15/15/05/1364151505.db2.gz OZVLEVRZOFYABT-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562668 1364163987 /nfs/dbraw/zinc/16/39/87/1364163987.db2.gz WQCMMOOBBLOECP-AOCRQIFASA-N 2 0 337.552 3.027 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100668688 1364211372 /nfs/dbraw/zinc/21/13/72/1364211372.db2.gz FDMLGKHVWOYOHG-VTZSLRFISA-N 2 0 337.552 3.338 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]CC[C@@H](C)F)C1 ZINC001100856527 1364294010 /nfs/dbraw/zinc/29/40/10/1364294010.db2.gz INWPPSXWRPSEST-WWDZGPRUSA-N 2 0 343.531 3.121 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C2CC(CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001100890079 1364314682 /nfs/dbraw/zinc/31/46/82/1364314682.db2.gz KUUFYRPQRSZZLN-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100898703 1364320346 /nfs/dbraw/zinc/32/03/46/1364320346.db2.gz XWSTUNNXNOCOFY-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001100899990 1364321289 /nfs/dbraw/zinc/32/12/89/1364321289.db2.gz KRLPSRIBWMPSJA-UUKMXZOPSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101364033 1364528977 /nfs/dbraw/zinc/52/89/77/1364528977.db2.gz LADBWHVRJNBOGU-UEXGIBASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC(C(C)(C)C[NH2+]CC=C(C)C)CC1)[NH+](C)C ZINC001101550774 1364613914 /nfs/dbraw/zinc/61/39/14/1364613914.db2.gz ZQTKCVBKPGQJEU-GOSISDBHSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001101557195 1364618131 /nfs/dbraw/zinc/61/81/31/1364618131.db2.gz ZTPDHLRATRRFHM-UHFFFAOYSA-N 2 0 342.487 3.211 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)(C)C)CC1 ZINC001101569636 1364624623 /nfs/dbraw/zinc/62/46/23/1364624623.db2.gz IPPMTNVGGAGKKH-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185360975 1387691726 /nfs/dbraw/zinc/69/17/26/1387691726.db2.gz RILPEHPKTYIPDG-XHHZUUQWSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102111034 1364863685 /nfs/dbraw/zinc/86/36/85/1364863685.db2.gz RSOHDYCBHHMSET-QZTJIDSGSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102119276 1364869927 /nfs/dbraw/zinc/86/99/27/1364869927.db2.gz DKUYHFUNLKEVDI-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102599971 1365131331 /nfs/dbraw/zinc/13/13/31/1365131331.db2.gz FXEBJYIUSKAFLS-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434870 1365558361 /nfs/dbraw/zinc/55/83/61/1365558361.db2.gz BYVYHEIOEPLIHB-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732732 1365754249 /nfs/dbraw/zinc/75/42/49/1365754249.db2.gz RGEHLJDMDJBSKY-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732479 1365754339 /nfs/dbraw/zinc/75/43/39/1365754339.db2.gz BTRSLGOTDGNRNC-WOJBJXKFSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750800 1365763911 /nfs/dbraw/zinc/76/39/11/1365763911.db2.gz NXPDSFHHFGJQFZ-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103756872 1365766888 /nfs/dbraw/zinc/76/68/88/1365766888.db2.gz DUVGOETVXFFMCC-JCHUFIKGSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185709081 1387783435 /nfs/dbraw/zinc/78/34/35/1387783435.db2.gz DSTNLFDZOYOALA-WOJBJXKFSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001185710098 1387783903 /nfs/dbraw/zinc/78/39/03/1387783903.db2.gz RSNOXXPWWCVMEY-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001104598793 1366095708 /nfs/dbraw/zinc/09/57/08/1366095708.db2.gz CAXBITAGPCVWHL-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001104625658 1366106879 /nfs/dbraw/zinc/10/68/79/1366106879.db2.gz XQTLWTHKVNMWLL-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185742712 1387788364 /nfs/dbraw/zinc/78/83/64/1387788364.db2.gz VSHBPCMSJIZWDQ-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001105067387 1366304434 /nfs/dbraw/zinc/30/44/34/1366304434.db2.gz YOPWXIYMQZVQJR-QWFCFKBJSA-N 2 0 345.531 3.162 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105541597 1366520105 /nfs/dbraw/zinc/52/01/05/1366520105.db2.gz FDMXXBSDXUKDSV-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544320 1366521175 /nfs/dbraw/zinc/52/11/75/1366521175.db2.gz HGWXRODNHQBGMH-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001105556819 1366529651 /nfs/dbraw/zinc/52/96/51/1366529651.db2.gz QLKZKTBUQCEMQO-FHWLQOOXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105558839 1366530185 /nfs/dbraw/zinc/53/01/85/1366530185.db2.gz GMPDFYNSCMGNKX-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105558479 1366530204 /nfs/dbraw/zinc/53/02/04/1366530204.db2.gz AZUHOMKGIXNZGB-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105562120 1366531721 /nfs/dbraw/zinc/53/17/21/1366531721.db2.gz WXRMYTAVJOMPNS-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105563542 1366533056 /nfs/dbraw/zinc/53/30/56/1366533056.db2.gz PBNBLYOQYKXRLX-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576355 1366541076 /nfs/dbraw/zinc/54/10/76/1366541076.db2.gz AJNYJMMXRYUSEQ-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)CCC1 ZINC001105579039 1366542537 /nfs/dbraw/zinc/54/25/37/1366542537.db2.gz KFYQFJDQULWCNE-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728698 1366782472 /nfs/dbraw/zinc/78/24/72/1366782472.db2.gz NVDBMFDKBSYNTG-HPFJUIBNSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107402816 1366953632 /nfs/dbraw/zinc/95/36/32/1366953632.db2.gz SABGWEGBBXTSIB-QKNQBKEWSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001107524009 1367018119 /nfs/dbraw/zinc/01/81/19/1367018119.db2.gz CEXFRGBENQNLRN-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1=CCCCC1)CC2 ZINC001107530821 1367023497 /nfs/dbraw/zinc/02/34/97/1367023497.db2.gz NOKRHQDQBAMAMM-TZIWHRDSSA-N 2 0 347.547 3.189 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454545 1367026162 /nfs/dbraw/zinc/02/61/62/1367026162.db2.gz VPCSXMYEGQRDSY-QOEWUMFVSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109273098 1367036287 /nfs/dbraw/zinc/03/62/87/1367036287.db2.gz WRUNOQRLLPJZPF-XWSJACJDSA-N 2 0 349.563 3.407 20 0 EGADRP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107615690 1367074623 /nfs/dbraw/zinc/07/46/23/1367074623.db2.gz IKCKWCLYYASJLA-WBWXQYNJSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001189667127 1367082555 /nfs/dbraw/zinc/08/25/55/1367082555.db2.gz BJTQTLHXPGIAHQ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643247 1367089759 /nfs/dbraw/zinc/08/97/59/1367089759.db2.gz COUUJHLUFLRQMJ-TZIWHRDSSA-N 2 0 349.563 3.413 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001107646428 1367090384 /nfs/dbraw/zinc/09/03/84/1367090384.db2.gz ITYRPMKLAYSSLX-QKNQBKEWSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109464406 1367137781 /nfs/dbraw/zinc/13/77/81/1367137781.db2.gz YYAQVUNETYOAGA-IKGGRYGDSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471669 1367143928 /nfs/dbraw/zinc/14/39/28/1367143928.db2.gz FSZZDALTBNHKTQ-QYZOEREBSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324206 1367226706 /nfs/dbraw/zinc/22/67/06/1367226706.db2.gz IOPPGLHXQPUORR-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190442868 1367266282 /nfs/dbraw/zinc/26/62/82/1367266282.db2.gz BYOXZGIGSPOENM-DKRLNXSXSA-N 2 0 349.544 3.312 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714572 1367289494 /nfs/dbraw/zinc/28/94/94/1367289494.db2.gz PEBMBCSELYLKGK-CJGRHVJPSA-N 2 0 335.536 3.185 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCC ZINC001109856467 1367360403 /nfs/dbraw/zinc/36/04/03/1367360403.db2.gz NIVPNSBWLFEWQH-QYZOEREBSA-N 2 0 337.552 3.410 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001190932844 1367384327 /nfs/dbraw/zinc/38/43/27/1367384327.db2.gz DQEDBNSIMVCTKC-APHBUQMISA-N 2 0 326.444 3.066 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190996218 1367397687 /nfs/dbraw/zinc/39/76/87/1367397687.db2.gz ATPNVOFIXBKAHP-YJBOKZPZSA-N 2 0 349.494 3.150 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001191029702 1367404899 /nfs/dbraw/zinc/40/48/99/1367404899.db2.gz LZZSKQWCZFHEAV-SFHVURJKSA-N 2 0 335.536 3.140 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001191029087 1367405132 /nfs/dbraw/zinc/40/51/32/1367405132.db2.gz FUGFIBPKZQEDEB-ZWKOTPCHSA-N 2 0 345.531 3.319 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001191030142 1367406341 /nfs/dbraw/zinc/40/63/41/1367406341.db2.gz QKTCJKOHKRXDRL-MRXNPFEDSA-N 2 0 325.541 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001191082360 1367420304 /nfs/dbraw/zinc/42/03/04/1367420304.db2.gz XITPIBMJZGXLPK-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704886 1367544441 /nfs/dbraw/zinc/54/44/41/1367544441.db2.gz UCUAWZIVLDWILO-OSJSIZARSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188989 1367555749 /nfs/dbraw/zinc/55/57/49/1367555749.db2.gz YXGMNTJKWAXJNK-YRXWBPOGSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738819 1367567728 /nfs/dbraw/zinc/56/77/28/1367567728.db2.gz ISTXOFIVEAYVGE-OTWHNJEPSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738697 1367567828 /nfs/dbraw/zinc/56/78/28/1367567828.db2.gz FFYGHXVXBTZLMU-KSZLIROESA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001191922825 1367639791 /nfs/dbraw/zinc/63/97/91/1367639791.db2.gz OPQACRJPRZEZMG-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(CC)CC)C1 ZINC001192906499 1367901650 /nfs/dbraw/zinc/90/16/50/1367901650.db2.gz LVCZVPRVUNNDCN-LJQANCHMSA-N 2 0 339.568 3.467 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661317 1367903660 /nfs/dbraw/zinc/90/36/60/1367903660.db2.gz QIVAJCVRGLPGGM-ZRNYENFQSA-N 2 0 347.547 3.305 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001110693997 1367931992 /nfs/dbraw/zinc/93/19/92/1367931992.db2.gz YSKWUNXKFUVIFP-BDXSIMOUSA-N 2 0 337.552 3.120 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001193423503 1368024959 /nfs/dbraw/zinc/02/49/59/1368024959.db2.gz AYHNIJRSWGTEDL-LJQANCHMSA-N 2 0 339.568 3.467 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001193423928 1368027661 /nfs/dbraw/zinc/02/76/61/1368027661.db2.gz HVSAIDKHSYZQQN-MOPGFXCFSA-N 2 0 339.568 3.467 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847474 1368028730 /nfs/dbraw/zinc/02/87/30/1368028730.db2.gz SXNOHFBOCORTNK-YSTOQKLRSA-N 2 0 347.547 3.019 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193561348 1368062448 /nfs/dbraw/zinc/06/24/48/1368062448.db2.gz YFVFHGQOAUQSJN-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561144 1368062561 /nfs/dbraw/zinc/06/25/61/1368062561.db2.gz WOTNABXSXOSFAA-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193639537 1368081611 /nfs/dbraw/zinc/08/16/11/1368081611.db2.gz AKUKSVHSQSWTFC-RTBURBONSA-N 2 0 345.531 3.239 20 0 EGADRP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934613 1368104455 /nfs/dbraw/zinc/10/44/55/1368104455.db2.gz JNDSDZTZMQKPHI-BWGAQWGUSA-N 2 0 347.547 3.186 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098643 1368158737 /nfs/dbraw/zinc/15/87/37/1368158737.db2.gz JDLFKNLBJRRMIZ-MIIYPZDFSA-N 2 0 347.547 3.327 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226907 1368212960 /nfs/dbraw/zinc/21/29/60/1368212960.db2.gz HURWGMPQZOVQPA-ZMBJWTFHSA-N 2 0 335.536 3.142 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)CCCCCF)C2)c1 ZINC001194228218 1368213356 /nfs/dbraw/zinc/21/33/56/1368213356.db2.gz PSZGXEJZPIGXKK-LJQANCHMSA-N 2 0 349.494 3.034 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273806 1368220498 /nfs/dbraw/zinc/22/04/98/1368220498.db2.gz BDWYTUZEXPTHCT-ILWWCXPUSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275719 1368222227 /nfs/dbraw/zinc/22/22/27/1368222227.db2.gz XMJAKSMETXHZGS-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186356091 1387928156 /nfs/dbraw/zinc/92/81/56/1387928156.db2.gz QLOIZFZNIZVNNZ-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)cc1 ZINC001186356151 1387928438 /nfs/dbraw/zinc/92/84/38/1387928438.db2.gz SXBKAJWZGQLACV-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467631 1368311450 /nfs/dbraw/zinc/31/14/50/1368311450.db2.gz QPZJFZCOPGRVHM-AKHDSKFASA-N 2 0 335.536 3.019 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466369 1368311803 /nfs/dbraw/zinc/31/18/03/1368311803.db2.gz SODAOIOUDSKFMJ-LFGUQSLTSA-N 2 0 343.515 3.118 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)C(C)C ZINC001186420955 1387939026 /nfs/dbraw/zinc/93/90/26/1387939026.db2.gz SONCHZZLKWJKLQ-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851724 1368505898 /nfs/dbraw/zinc/50/58/98/1368505898.db2.gz LYXUWZFXVMUKHT-IWFBPKFRSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864574 1368513284 /nfs/dbraw/zinc/51/32/84/1368513284.db2.gz WXTJYJPXMKHDHZ-ZVDOUQERSA-N 2 0 343.515 3.060 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001111908732 1368549716 /nfs/dbraw/zinc/54/97/16/1368549716.db2.gz OFKVIWYRBOXXJM-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001111926675 1368564190 /nfs/dbraw/zinc/56/41/90/1368564190.db2.gz CHHKNGFJRVAKKR-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111952391 1368572545 /nfs/dbraw/zinc/57/25/45/1368572545.db2.gz GELRJMROCJTTMD-KDCRJJDASA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619669 1368651322 /nfs/dbraw/zinc/65/13/22/1368651322.db2.gz HRZPRYLTFZYTHC-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196620028 1368651527 /nfs/dbraw/zinc/65/15/27/1368651527.db2.gz SKNQONIGRRJYLG-AZUAARDMSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[N@H+](CC3CCCC3)CC2)CCCCC1 ZINC001196641758 1368654448 /nfs/dbraw/zinc/65/44/48/1368654448.db2.gz PKFIAJMYECCBJV-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001112425388 1368841678 /nfs/dbraw/zinc/84/16/78/1368841678.db2.gz KWJGCNUDEOJHKH-SJVRRUCOSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001197922410 1368924941 /nfs/dbraw/zinc/92/49/41/1368924941.db2.gz RONVCKHCZQZCTF-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC)C1 ZINC001112561208 1368928460 /nfs/dbraw/zinc/92/84/60/1368928460.db2.gz MBPKSJMWOFVDFW-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325437820 1387972133 /nfs/dbraw/zinc/97/21/33/1387972133.db2.gz LYDMRNFCFFTOGF-AEFFLSMTSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001198259066 1368992616 /nfs/dbraw/zinc/99/26/16/1368992616.db2.gz KKNXHLYNQDJDCT-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282755 1368996364 /nfs/dbraw/zinc/99/63/64/1368996364.db2.gz GQOFITLQULWPPL-IBGZPJMESA-N 2 0 349.494 3.151 20 0 EGADRP Cc1c(C(=O)N2CC[NH+](C[C@@H](C)CC(C)C)CC2)ccc2c[nH+]cn21 ZINC001113054242 1369169452 /nfs/dbraw/zinc/16/94/52/1369169452.db2.gz ZXPIIEUYNHCXRJ-INIZCTEOSA-N 2 0 342.487 3.083 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC(C)(C)C3)cn2)CC1 ZINC001199136674 1369184097 /nfs/dbraw/zinc/18/40/97/1369184097.db2.gz MPOFQPYLPXQJPX-QGZVFWFLSA-N 2 0 330.520 3.139 20 0 EGADRP CC[C@H](C(=O)N1CC[NH+](CC2CCC3(CC3)CC2)CC1)[NH+](CC)CC ZINC001113341317 1369359232 /nfs/dbraw/zinc/35/92/32/1369359232.db2.gz RZKUGVRNWAAPFL-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001200645061 1369404827 /nfs/dbraw/zinc/40/48/27/1369404827.db2.gz YXOUXYCTFAZWLM-YZPMEYCISA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001186739124 1388002210 /nfs/dbraw/zinc/00/22/10/1388002210.db2.gz OFTYJJCYAJMHOG-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001113536489 1369483089 /nfs/dbraw/zinc/48/30/89/1369483089.db2.gz SGTZRDRHSKHIBD-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001201182768 1369491807 /nfs/dbraw/zinc/49/18/07/1369491807.db2.gz MYWTXFHAUDXTOP-IBGZPJMESA-N 2 0 348.535 3.487 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2c(F)cccc2N2CC[NH+](C)CC2)c1 ZINC001201403377 1369538003 /nfs/dbraw/zinc/53/80/03/1369538003.db2.gz PBJBCZOEZOSNAZ-UHFFFAOYSA-N 2 0 342.462 3.383 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001113679225 1369562661 /nfs/dbraw/zinc/56/26/61/1369562661.db2.gz IRYOZWYKHKDTBT-WOJBJXKFSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201611150 1369589790 /nfs/dbraw/zinc/58/97/90/1369589790.db2.gz VOKQSZWZJDRVOS-INIZCTEOSA-N 2 0 342.487 3.211 20 0 EGADRP CCCCOc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)ccn1 ZINC001201654279 1369596864 /nfs/dbraw/zinc/59/68/64/1369596864.db2.gz KMYADJKDKNHTTG-UHFFFAOYSA-N 2 0 341.459 3.151 20 0 EGADRP c1ccc(CCC[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001201653034 1369597382 /nfs/dbraw/zinc/59/73/82/1369597382.db2.gz OYKBFNZJAUDQFS-UHFFFAOYSA-N 2 0 330.516 3.444 20 0 EGADRP CC(=O)n1ccc2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)ccc21 ZINC001201668634 1369601495 /nfs/dbraw/zinc/60/14/95/1369601495.db2.gz YJCFVJXWFIATQY-UHFFFAOYSA-N 2 0 349.438 3.192 20 0 EGADRP CC(=O)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1Cl ZINC001201667237 1369601914 /nfs/dbraw/zinc/60/19/14/1369601914.db2.gz DLBRSGRKRFESNT-UHFFFAOYSA-N 2 0 344.846 3.433 20 0 EGADRP COc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c2ncccc12 ZINC001201667656 1369601927 /nfs/dbraw/zinc/60/19/27/1369601927.db2.gz YAHHTILOYNNASJ-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP CC1CC(C[NH2+]C2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)C1 ZINC001201801513 1369626598 /nfs/dbraw/zinc/62/65/98/1369626598.db2.gz LLPNUDLCWBPSGF-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC([NH2+]CCCC3CCC3)CC2)CCCC1 ZINC001201838980 1369632377 /nfs/dbraw/zinc/63/23/77/1369632377.db2.gz ICVSEJOSZMZVMG-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001201935490 1369645952 /nfs/dbraw/zinc/64/59/52/1369645952.db2.gz MYKMKOQKVAYAAH-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001202079134 1369682353 /nfs/dbraw/zinc/68/23/53/1369682353.db2.gz XGHQZAMGEPZDES-UHFFFAOYSA-N 2 0 345.531 3.432 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]CC3CCC(C)(C)CC3)CC2)CC1 ZINC001202224563 1369717633 /nfs/dbraw/zinc/71/76/33/1369717633.db2.gz ATPAEEZFNHWTLG-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1)[NH+](CC)CC ZINC001202473388 1369782833 /nfs/dbraw/zinc/78/28/33/1369782833.db2.gz KCLHOQIWDSNPRG-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1 ZINC001202598334 1369818724 /nfs/dbraw/zinc/81/87/24/1369818724.db2.gz KOPXPLRKMKZPEQ-OAQYLSRUSA-N 2 0 328.500 3.401 20 0 EGADRP CC(C)c1nccn1CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001202707656 1369859912 /nfs/dbraw/zinc/85/99/12/1369859912.db2.gz GHASCHYCWCMRKP-UHFFFAOYSA-N 2 0 334.508 3.023 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001186981247 1388035030 /nfs/dbraw/zinc/03/50/30/1388035030.db2.gz LJDLKJYOGJAKOQ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202872256 1369913498 /nfs/dbraw/zinc/91/34/98/1369913498.db2.gz CTBZEQKICLBGJD-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CCC1(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)COC1 ZINC001202937024 1369930383 /nfs/dbraw/zinc/93/03/83/1369930383.db2.gz SUDVXAQHVVGQIF-UHFFFAOYSA-N 2 0 343.515 3.185 20 0 EGADRP Cc1csc(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC001325716608 1388033562 /nfs/dbraw/zinc/03/35/62/1388033562.db2.gz IPCKORXDNUUOQA-APWZRJJASA-N 2 0 343.496 3.230 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)C(C)C ZINC001202991732 1369948021 /nfs/dbraw/zinc/94/80/21/1369948021.db2.gz QCQARYUIQQLHAJ-FQEVSTJZSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2)C1CCC1 ZINC001203044561 1369965173 /nfs/dbraw/zinc/96/51/73/1369965173.db2.gz MHCXGGAFSXZOJO-RTBURBONSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203169097 1370007864 /nfs/dbraw/zinc/00/78/64/1370007864.db2.gz PEKMQERKGMKZTA-ZWKOTPCHSA-N 2 0 340.471 3.155 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203204457 1370024115 /nfs/dbraw/zinc/02/41/15/1370024115.db2.gz VGBYSHSDCPCIAE-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C23CCC3)CC1 ZINC001203317102 1370079726 /nfs/dbraw/zinc/07/97/26/1370079726.db2.gz LGIQAFPKPKHOGA-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330593 1370084767 /nfs/dbraw/zinc/08/47/67/1370084767.db2.gz LQPQIVHEBLUFDV-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001203392756 1370109578 /nfs/dbraw/zinc/10/95/78/1370109578.db2.gz BKVZQIFITWEHDK-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419490 1370118838 /nfs/dbraw/zinc/11/88/38/1370118838.db2.gz LYALVPLIOVEMAN-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001203443496 1370128839 /nfs/dbraw/zinc/12/88/39/1370128839.db2.gz UWAVXTQMSPCFNY-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540066 1370161646 /nfs/dbraw/zinc/16/16/46/1370161646.db2.gz SVEWWQVVZOGQOE-RBUKOAKNSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203631302 1370193912 /nfs/dbraw/zinc/19/39/12/1370193912.db2.gz LUSHTOAURCXTSJ-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203642791 1370198922 /nfs/dbraw/zinc/19/89/22/1370198922.db2.gz YUBHWXSUAYJMHZ-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203742057 1370245063 /nfs/dbraw/zinc/24/50/63/1370245063.db2.gz LGIGUYYWJGSXCJ-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203744329 1370245514 /nfs/dbraw/zinc/24/55/14/1370245514.db2.gz ZCCSTPQHWLYPCK-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203794217 1370268101 /nfs/dbraw/zinc/26/81/01/1370268101.db2.gz VSHCURZVMQQLJS-YQJUVHNHSA-N 2 0 335.536 3.090 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC001204180947 1370401771 /nfs/dbraw/zinc/40/17/71/1370401771.db2.gz XDNTUEBUCVLTFC-QFIPXVFZSA-N 3 0 341.543 3.316 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CCOC3)CC2)cc1 ZINC001204266012 1370426180 /nfs/dbraw/zinc/42/61/80/1370426180.db2.gz KTQQGWQLUZMMDW-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)cc1 ZINC001204266977 1370427408 /nfs/dbraw/zinc/42/74/08/1370427408.db2.gz CDMDEBGATDRMEE-FQEVSTJZSA-N 2 0 340.471 3.144 20 0 EGADRP COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204269238 1370428323 /nfs/dbraw/zinc/42/83/23/1370428323.db2.gz YAEMSKMRXMOATD-IBGZPJMESA-N 2 0 334.504 3.407 20 0 EGADRP Cc1c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC001204577059 1370520612 /nfs/dbraw/zinc/52/06/12/1370520612.db2.gz PHUHAQOGNNDZCF-VQTJNVASSA-N 2 0 338.499 3.073 20 0 EGADRP CC(C)(C[N@@H+]1CCO[C@H](CC[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001204756677 1370567501 /nfs/dbraw/zinc/56/75/01/1370567501.db2.gz RPVSPEDGAHVECO-CQSZACIVSA-N 2 0 328.909 3.260 20 0 EGADRP [NH3+]CC[C@H]1C[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCO1 ZINC001204756301 1370567853 /nfs/dbraw/zinc/56/78/53/1370567853.db2.gz MXYLAQIPECNOPC-KRWDZBQOSA-N 2 0 335.451 3.385 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571677 1370573779 /nfs/dbraw/zinc/57/37/79/1370573779.db2.gz JYMINQUVIBWZKY-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115571685 1370573881 /nfs/dbraw/zinc/57/38/81/1370573881.db2.gz KFDWASRCHGBOGL-LJQANCHMSA-N 2 0 349.563 3.458 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573119 1370575968 /nfs/dbraw/zinc/57/59/68/1370575968.db2.gz JDDHRTLCMMZPEP-OOFWQKGWSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579436 1370582899 /nfs/dbraw/zinc/58/28/99/1370582899.db2.gz NYXORBXMFFSIOD-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1)[NH+](C)C ZINC001115591928 1370593362 /nfs/dbraw/zinc/59/33/62/1370593362.db2.gz LFLWGDRSEPSCJY-GOSISDBHSA-N 2 0 349.494 3.075 20 0 EGADRP C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001204885362 1370596578 /nfs/dbraw/zinc/59/65/78/1370596578.db2.gz QRFQZDGIGUDQII-UHFFFAOYSA-N 2 0 349.400 3.421 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115611433 1370610471 /nfs/dbraw/zinc/61/04/71/1370610471.db2.gz HZQQJACQXLWRLP-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614803 1370612793 /nfs/dbraw/zinc/61/27/93/1370612793.db2.gz RFENJPNRTUNFCS-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001115630465 1370623622 /nfs/dbraw/zinc/62/36/22/1370623622.db2.gz NWKIPFIEAHZTNR-UHFFFAOYSA-N 2 0 340.471 3.157 20 0 EGADRP Clc1cc(Cl)cc(C2=CC[N@H+](CC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC001205000498 1370624957 /nfs/dbraw/zinc/62/49/57/1370624957.db2.gz GFKUBZUCQDDTGX-KRWDZBQOSA-N 2 0 341.282 3.461 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCCCC2)C1 ZINC001115692596 1370673797 /nfs/dbraw/zinc/67/37/97/1370673797.db2.gz XRJZMIXKDQTYCP-JEVOJNTISA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205241991 1370693191 /nfs/dbraw/zinc/69/31/91/1370693191.db2.gz KQTDQJJPZOWHFD-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205242973 1370693340 /nfs/dbraw/zinc/69/33/40/1370693340.db2.gz XSGDKEQSLUVVDU-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205257976 1370697924 /nfs/dbraw/zinc/69/79/24/1370697924.db2.gz ZPVWSVWJEWRAMI-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc3c(c2)C[N@@H+](C)CC3)cn1 ZINC001205261044 1370698701 /nfs/dbraw/zinc/69/87/01/1370698701.db2.gz BBHIKTANSSCYMZ-UHFFFAOYSA-N 2 0 325.456 3.067 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1C[NH3+] ZINC001205305929 1370715048 /nfs/dbraw/zinc/71/50/48/1370715048.db2.gz UNWCAALHCSEMQC-RYUDHWBXSA-N 2 0 336.277 3.347 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H]1C[NH3+] ZINC001205306698 1370715273 /nfs/dbraw/zinc/71/52/73/1370715273.db2.gz YXLASFURLBIRMU-FUHWJXTLSA-N 2 0 334.467 3.442 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccc3cc(Br)cnc32)C[C@@H]1C[NH3+] ZINC001205315383 1370719027 /nfs/dbraw/zinc/71/90/27/1370719027.db2.gz FMOQASZGIZRMDU-DOMZBBRYSA-N 2 0 348.288 3.414 20 0 EGADRP c1c(C[NH+]2CCC(Oc3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC001205340470 1370726780 /nfs/dbraw/zinc/72/67/80/1370726780.db2.gz TZRVHHTVTVMPIH-UHFFFAOYSA-N 2 0 328.481 3.437 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420545 1370749322 /nfs/dbraw/zinc/74/93/22/1370749322.db2.gz ZMNDRPSQTIXLQB-PXDRNWIDSA-N 2 0 349.563 3.435 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205526108 1370781494 /nfs/dbraw/zinc/78/14/94/1370781494.db2.gz DMROSWRKIQAZMS-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205526403 1370781508 /nfs/dbraw/zinc/78/15/08/1370781508.db2.gz SXYVSEMADXIRAO-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001205548900 1370787518 /nfs/dbraw/zinc/78/75/18/1370787518.db2.gz MUTQXKXUEGCKTR-KRWDZBQOSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Br ZINC001205560005 1370791388 /nfs/dbraw/zinc/79/13/88/1370791388.db2.gz YBJSWKIQNQWFHW-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(C(F)(F)F)c1 ZINC001205570336 1370795239 /nfs/dbraw/zinc/79/52/39/1370795239.db2.gz INSQGTRKVGNJRL-HNNXBMFYSA-N 2 0 334.357 3.367 20 0 EGADRP Cc1cc(Br)sc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205582253 1370799415 /nfs/dbraw/zinc/79/94/15/1370799415.db2.gz XMSLQOOJYNRXSG-ZDUSSCGKSA-N 2 0 335.286 3.472 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591020 1370803002 /nfs/dbraw/zinc/80/30/02/1370803002.db2.gz BJYFWWYBZYDEER-KRWDZBQOSA-N 2 0 342.842 3.170 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590128 1370803010 /nfs/dbraw/zinc/80/30/10/1370803010.db2.gz ACAVIRSQCJUOIP-UHFFFAOYSA-N 2 0 340.471 3.051 20 0 EGADRP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)c1OC ZINC001205618689 1370812309 /nfs/dbraw/zinc/81/23/09/1370812309.db2.gz YEJQJQVQJZMNMS-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625119 1370816630 /nfs/dbraw/zinc/81/66/30/1370816630.db2.gz PKPDSRSBSAAVTC-UHFFFAOYSA-N 2 0 342.487 3.212 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccn2)CC[C@H]1C[NH3+] ZINC001205637817 1370821257 /nfs/dbraw/zinc/82/12/57/1370821257.db2.gz IZINTUFJFUSUJX-MJGOQNOKSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC[C@H]1C[NH3+] ZINC001205652682 1370828994 /nfs/dbraw/zinc/82/89/94/1370828994.db2.gz QQBCYVDWPCRXTP-UWVGGRQHSA-N 2 0 342.274 3.023 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(Br)ccc(O)c2F)CC[C@@H]1C[NH3+] ZINC001205651265 1370829418 /nfs/dbraw/zinc/82/94/18/1370829418.db2.gz BUJKISNEULTJEO-GHMZBOCLSA-N 2 0 345.256 3.101 20 0 EGADRP COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Br ZINC001205654968 1370831111 /nfs/dbraw/zinc/83/11/11/1370831111.db2.gz YSAUETFCUINACN-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673891 1370837662 /nfs/dbraw/zinc/83/76/62/1370837662.db2.gz VHGYFDMNZKPLAD-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP C[N@H+](CCC(=O)N1CCC(C[NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001205761937 1370862608 /nfs/dbraw/zinc/86/26/08/1370862608.db2.gz GBNWCYGPWZOQDC-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP Fc1c(C[NH+]2CCCC2)cccc1-c1cccc(N2CC[NH2+]CC2)c1 ZINC001205936706 1370916702 /nfs/dbraw/zinc/91/67/02/1370916702.db2.gz RIVQHVJPGNPZQQ-UHFFFAOYSA-N 2 0 339.458 3.498 20 0 EGADRP C[C@H]1C[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CCC[C@H]1C[NH3+] ZINC001206003908 1370935654 /nfs/dbraw/zinc/93/56/54/1370935654.db2.gz NKHQIKFQIDSDCG-RYUDHWBXSA-N 2 0 340.393 3.389 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CCC[C@H]1C[NH3+] ZINC001206003906 1370935693 /nfs/dbraw/zinc/93/56/93/1370935693.db2.gz NKHQIKFQIDSDCG-NEPJUHHUSA-N 2 0 340.393 3.389 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccnc2OCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001206036048 1370945212 /nfs/dbraw/zinc/94/52/12/1370945212.db2.gz FSQALNJAKZUBBX-MJGOQNOKSA-N 2 0 339.483 3.467 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001206152243 1370974555 /nfs/dbraw/zinc/97/45/55/1370974555.db2.gz HMPSVXDHOAIAAW-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc12 ZINC001206210512 1370994323 /nfs/dbraw/zinc/99/43/23/1370994323.db2.gz KNXBJOYUBPYEOJ-IRXDYDNUSA-N 2 0 332.419 3.118 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001206274461 1371009882 /nfs/dbraw/zinc/00/98/82/1371009882.db2.gz IFMHSNZYAOXANQ-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP OC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001117677483 1371061781 /nfs/dbraw/zinc/06/17/81/1371061781.db2.gz GSFJRJIDWAGHSP-BWQRXAFVSA-N 2 0 328.500 3.465 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482652 1371068276 /nfs/dbraw/zinc/06/82/76/1371068276.db2.gz WQSWZEOQMZZRKM-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001206572555 1371096942 /nfs/dbraw/zinc/09/69/42/1371096942.db2.gz CNSGCDAPUQILCP-GOSISDBHSA-N 2 0 332.879 3.477 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CCCC)CC1 ZINC001206621694 1371111177 /nfs/dbraw/zinc/11/11/77/1371111177.db2.gz CCJQVCBQOWLMOB-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP [NH3+]C[C@@H]1CCCCN(Cc2cc3c(cccc3Br)[nH]2)C1 ZINC001206638947 1371115135 /nfs/dbraw/zinc/11/51/35/1371115135.db2.gz AAIOKGBRAFMCSY-LBPRGKRZSA-N 2 0 336.277 3.491 20 0 EGADRP Cc1cc(F)cc(Br)c1CN1CCCC[C@H](C[NH3+])C1 ZINC001206646461 1371118232 /nfs/dbraw/zinc/11/82/32/1371118232.db2.gz CMIWGHFZABVNNE-GFCCVEGCSA-N 2 0 329.257 3.457 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001206653409 1371121690 /nfs/dbraw/zinc/12/16/90/1371121690.db2.gz BOBAYIRWUUVUIY-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001206653691 1371121974 /nfs/dbraw/zinc/12/19/74/1371121974.db2.gz MUHXZUTVGSGDJG-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118180735 1371141971 /nfs/dbraw/zinc/14/19/71/1371141971.db2.gz MHMIPNYQJOCLEH-UHFFFAOYSA-N 2 0 338.499 3.455 20 0 EGADRP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCc1ccc(Br)cc1 ZINC001206761278 1371155720 /nfs/dbraw/zinc/15/57/20/1371155720.db2.gz VXDLEMBQNOUFGO-UKRRQHHQSA-N 2 0 325.294 3.441 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)s2)cc1 ZINC001206768347 1371158696 /nfs/dbraw/zinc/15/86/96/1371158696.db2.gz JUTRCWXEXLDPOA-UONOGXRCSA-N 2 0 331.485 3.378 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206875856 1371201465 /nfs/dbraw/zinc/20/14/65/1371201465.db2.gz CGRFXFFAUMDVQV-UHFFFAOYSA-N 2 0 346.519 3.026 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206884226 1371205330 /nfs/dbraw/zinc/20/53/30/1371205330.db2.gz BYUXGLHTFZFEAA-VOTSOKGWSA-N 2 0 337.552 3.293 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206968775 1371251488 /nfs/dbraw/zinc/25/14/88/1371251488.db2.gz YFQNIIRFLNHPHI-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC001118930017 1371252082 /nfs/dbraw/zinc/25/20/82/1371252082.db2.gz BZHJKZWPZWTKFM-OAQYLSRUSA-N 2 0 338.499 3.320 20 0 EGADRP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC001119031303 1371266853 /nfs/dbraw/zinc/26/68/53/1371266853.db2.gz LAIWCLHUOFDAMS-YOEHRIQHSA-N 2 0 336.549 3.329 20 0 EGADRP Cc1noc(C)c1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001207140024 1371308332 /nfs/dbraw/zinc/30/83/32/1371308332.db2.gz YCMTZUGIBWPVLE-UHFFFAOYSA-N 2 0 325.456 3.389 20 0 EGADRP O[C@]1(CF)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286079 1371349466 /nfs/dbraw/zinc/34/94/66/1371349466.db2.gz DQDOGKVASRUXCJ-HXUWFJFHSA-N 2 0 334.479 3.085 20 0 EGADRP CC1(C)C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@](C)(CO)C1 ZINC001207287294 1371352088 /nfs/dbraw/zinc/35/20/88/1371352088.db2.gz RVZZHBLYSSPDKV-OAQYLSRUSA-N 2 0 330.516 3.382 20 0 EGADRP COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207399865 1371384828 /nfs/dbraw/zinc/38/48/28/1371384828.db2.gz XOPHCWNVBQZUOP-UXHICEINSA-N 2 0 344.499 3.140 20 0 EGADRP CCOC(=O)c1cc2c(s1)CC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207483598 1371409415 /nfs/dbraw/zinc/40/94/15/1371409415.db2.gz GFPXTATTYOZNFQ-UHFFFAOYSA-N 2 0 336.501 3.015 20 0 EGADRP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001207487642 1371410515 /nfs/dbraw/zinc/41/05/15/1371410515.db2.gz PHGJCECHIITSST-HOTGVXAUSA-N 2 0 339.524 3.048 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(F)cc1)C2 ZINC001207512422 1371421157 /nfs/dbraw/zinc/42/11/57/1371421157.db2.gz OYAWXEPJQXNDKA-FPOVZHCZSA-N 2 0 346.490 3.049 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537676 1371428982 /nfs/dbraw/zinc/42/89/82/1371428982.db2.gz GONHRTUWFGZNQM-IEVDXQOXSA-N 2 0 349.563 3.147 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC)CCCCC1 ZINC001119988844 1371443650 /nfs/dbraw/zinc/44/36/50/1371443650.db2.gz CRUFYTHJVNSVII-SFHVURJKSA-N 2 0 337.552 3.460 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790076 1371505132 /nfs/dbraw/zinc/50/51/32/1371505132.db2.gz KVWSDRZIXSOKEI-WIDBLJPWSA-N 2 0 349.563 3.432 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3(C)COC3)C[C@@H]21 ZINC001207796625 1371507318 /nfs/dbraw/zinc/50/73/18/1371507318.db2.gz YUNKHLDMLBMVQZ-RYQLBKOJSA-N 2 0 334.529 3.317 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120365616 1371549898 /nfs/dbraw/zinc/54/98/98/1371549898.db2.gz UKWLQRUBVHQPHK-ZWKOTPCHSA-N 2 0 346.519 3.236 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120422308 1371569153 /nfs/dbraw/zinc/56/91/53/1371569153.db2.gz LHWFSCZYUUSBMZ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001120430964 1371573850 /nfs/dbraw/zinc/57/38/50/1371573850.db2.gz PCNGZMCWVWSGJX-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001120449696 1371581483 /nfs/dbraw/zinc/58/14/83/1371581483.db2.gz OZMXJCUVSPXGMO-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120463286 1371584971 /nfs/dbraw/zinc/58/49/71/1371584971.db2.gz YFNBYLORARFXGL-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP COc1cccc(O[C@@H]2CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)c1 ZINC001208106131 1371596717 /nfs/dbraw/zinc/59/67/17/1371596717.db2.gz FVBWPLHVDRKAKE-LJQANCHMSA-N 2 0 332.488 3.270 20 0 EGADRP COc1ccccc1[C@@H](O)C[N@H+](CC1(C)CC[NH+](C)CC1)C(C)C ZINC001208108250 1371596771 /nfs/dbraw/zinc/59/67/71/1371596771.db2.gz CBHRGAXBQMLWJU-SFHVURJKSA-N 2 0 334.504 3.171 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105650 1371596813 /nfs/dbraw/zinc/59/68/13/1371596813.db2.gz ARLCBGHCTOBLPU-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208112846 1371598550 /nfs/dbraw/zinc/59/85/50/1371598550.db2.gz ZVLRIXVXXPWNDH-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001208113524 1371599474 /nfs/dbraw/zinc/59/94/74/1371599474.db2.gz LCBDZIRCOGJQHM-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+](C)CC1(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC001208188762 1371630335 /nfs/dbraw/zinc/63/03/35/1371630335.db2.gz ASEPQUZNBKCJTJ-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208359755 1371734456 /nfs/dbraw/zinc/73/44/56/1371734456.db2.gz ZYGYOKMUSVVCFS-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411631 1371758577 /nfs/dbraw/zinc/75/85/77/1371758577.db2.gz ZIAKDBJDZBXFHY-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411525 1371758787 /nfs/dbraw/zinc/75/87/87/1371758787.db2.gz WAESWBFXHVWSKO-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453316 1371771952 /nfs/dbraw/zinc/77/19/52/1371771952.db2.gz DRQLWMLWDSRIMB-LJQANCHMSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001208454318 1371772505 /nfs/dbraw/zinc/77/25/05/1371772505.db2.gz UTYWRXWABOXLBT-SFHVURJKSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)c1 ZINC001208454513 1371772674 /nfs/dbraw/zinc/77/26/74/1371772674.db2.gz WXDHTNGXRAPOBL-IBGZPJMESA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208454059 1371773156 /nfs/dbraw/zinc/77/31/56/1371773156.db2.gz RTDIGZCQFFZYTA-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208564601 1371818914 /nfs/dbraw/zinc/81/89/14/1371818914.db2.gz VIBYUKOMDZBMOM-AEFFLSMTSA-N 2 0 342.487 3.211 20 0 EGADRP C[NH+]1CCC2(CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208590646 1371831115 /nfs/dbraw/zinc/83/11/15/1371831115.db2.gz FEMHSFDBXSPMQD-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208717685 1371872746 /nfs/dbraw/zinc/87/27/46/1371872746.db2.gz MMTYUAKOYWMURZ-IBGZPJMESA-N 2 0 345.531 3.175 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)CCc1ccc(Cl)cc1 ZINC001208740947 1371880704 /nfs/dbraw/zinc/88/07/04/1371880704.db2.gz KDUXXAVINAUHJW-UHFFFAOYSA-N 2 0 325.928 3.088 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2)[NH+](C)C ZINC001121267737 1371915864 /nfs/dbraw/zinc/91/58/64/1371915864.db2.gz QTINGDKOAXCRKG-AUDKGVNFSA-N 2 0 337.552 3.026 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294974 1371926669 /nfs/dbraw/zinc/92/66/69/1371926669.db2.gz KBZDMEROIQGAGS-SGPNKGFISA-N 2 0 349.563 3.170 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121325981 1371937468 /nfs/dbraw/zinc/93/74/68/1371937468.db2.gz SAZJADNAIFTYNY-CMDGGOBGSA-N 2 0 335.536 3.090 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+](CC3CCN(c4ccccc4)CC3)C[C@@H]2C1 ZINC001208910677 1371940237 /nfs/dbraw/zinc/94/02/37/1371940237.db2.gz IZEXCTAPUCBLAX-BGYRXZFFSA-N 2 0 327.516 3.177 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918039 1371943986 /nfs/dbraw/zinc/94/39/86/1371943986.db2.gz CYVCUVFXDZYNNU-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001121367480 1371951886 /nfs/dbraw/zinc/95/18/86/1371951886.db2.gz DOJDXAPPYMUYBB-YADNIXQGSA-N 2 0 340.471 3.011 20 0 EGADRP CC[NH+]1CCC(N(C)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937079 1371955351 /nfs/dbraw/zinc/95/53/51/1371955351.db2.gz RABPATGYDILWNF-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP CCN(CC[NH+]1CCCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951279 1371961030 /nfs/dbraw/zinc/96/10/30/1371961030.db2.gz BGSWCTKLRNVCBW-NRFANRHFSA-N 2 0 329.532 3.316 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204501 1372037364 /nfs/dbraw/zinc/03/73/64/1372037364.db2.gz IYNWJDXAGHAIHU-MOPGFXCFSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250721 1372051102 /nfs/dbraw/zinc/05/11/02/1372051102.db2.gz IMVDPNTWYZTOFA-PMEOWRCESA-N 2 0 335.536 3.044 20 0 EGADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC4Cc5ccccc5C4)C[C@H]3C2)cc1 ZINC001209321715 1372068468 /nfs/dbraw/zinc/06/84/68/1372068468.db2.gz JMRVLTHLPSRANY-ZRZAMGCNSA-N 2 0 332.491 3.465 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761488 1372073014 /nfs/dbraw/zinc/07/30/14/1372073014.db2.gz MLOCQMCDLZRPOQ-YALLJVKXSA-N 2 0 349.563 3.480 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121791299 1372082134 /nfs/dbraw/zinc/08/21/34/1372082134.db2.gz KSNKRWULZWKWEQ-FPLPWBNLSA-N 2 0 349.563 3.338 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121790821 1372082473 /nfs/dbraw/zinc/08/24/73/1372082473.db2.gz DKLISOAFONTHPZ-UEBDJUODSA-N 2 0 337.552 3.027 20 0 EGADRP C[N@H+](CCC[NH+]1CCCCC1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209450412 1372109383 /nfs/dbraw/zinc/10/93/83/1372109383.db2.gz IVSZADIMKOJHQR-QGZVFWFLSA-N 2 0 339.524 3.051 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121897351 1372117673 /nfs/dbraw/zinc/11/76/73/1372117673.db2.gz ZKSBHKTYIGZHRF-IRRXANFSSA-N 2 0 346.519 3.042 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001121924354 1372124043 /nfs/dbraw/zinc/12/40/43/1372124043.db2.gz WLOZVZROMIFQDB-QAELIBMJSA-N 2 0 337.552 3.170 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209613082 1372150873 /nfs/dbraw/zinc/15/08/73/1372150873.db2.gz GQCVFPIFKIILRG-CLUNNQHJSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC001122021592 1372154807 /nfs/dbraw/zinc/15/48/07/1372154807.db2.gz BAJJQLXQMPTTGH-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N(C)C2CCC([NH3+])CC2)c1 ZINC001326421302 1388183307 /nfs/dbraw/zinc/18/33/07/1388183307.db2.gz PHSXCKCBJQEQSW-MHJFOBGBSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001209688528 1372170207 /nfs/dbraw/zinc/17/02/07/1372170207.db2.gz CYBSGKBUGBJULD-IEBWSBKVSA-N 2 0 345.531 3.306 20 0 EGADRP C[NH+](C)C1(C)CCC(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC001122139842 1372185318 /nfs/dbraw/zinc/18/53/18/1372185318.db2.gz FNAUJOGGGXZXHV-XPQZIERPSA-N 2 0 343.515 3.058 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122242999 1372210255 /nfs/dbraw/zinc/21/02/55/1372210255.db2.gz VFUYWTSDVZEMIP-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209939795 1372237999 /nfs/dbraw/zinc/23/79/99/1372237999.db2.gz ICXYFTWSLSSTEQ-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190600 1372291372 /nfs/dbraw/zinc/29/13/72/1372291372.db2.gz WSXAOMJUYQIXSB-BGGMYYEUSA-N 2 0 337.552 3.290 20 0 EGADRP Fc1cccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1C(F)(F)F ZINC001210266762 1372310182 /nfs/dbraw/zinc/31/01/82/1372310182.db2.gz PENLUEGKMSUVFX-UHFFFAOYSA-N 2 0 340.324 3.393 20 0 EGADRP CC(=O)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Cl)c1 ZINC001210271305 1372311811 /nfs/dbraw/zinc/31/18/11/1372311811.db2.gz MKVXHWAOTQZVIO-UHFFFAOYSA-N 2 0 330.819 3.091 20 0 EGADRP Nc1cccc2c3ccccc3n(-c3cc[nH+]c(N4CC[NH2+]CC4)c3)c21 ZINC001210271426 1372311937 /nfs/dbraw/zinc/31/19/37/1372311937.db2.gz XTJASQPMNKVAJJ-UHFFFAOYSA-N 2 0 343.434 3.171 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428056 1372351407 /nfs/dbraw/zinc/35/14/07/1372351407.db2.gz LSAXCZDWEDMBPG-UEKDZROGSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210616057 1372392317 /nfs/dbraw/zinc/39/23/17/1372392317.db2.gz ZPHVLVNKPMBVLI-PZJWPPBQSA-N 2 0 343.515 3.010 20 0 EGADRP CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001210742751 1372417253 /nfs/dbraw/zinc/41/72/53/1372417253.db2.gz FQNDUXMYERDOGZ-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001210744053 1372417727 /nfs/dbraw/zinc/41/77/27/1372417727.db2.gz NVXYCYKDYGGFAT-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210790160 1372427075 /nfs/dbraw/zinc/42/70/75/1372427075.db2.gz VJNBAPBFHQVRKU-HXUWFJFHSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001210796756 1372428027 /nfs/dbraw/zinc/42/80/27/1372428027.db2.gz JMVYMFFLFYYKOY-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210810623 1372430339 /nfs/dbraw/zinc/43/03/39/1372430339.db2.gz BGOUQCLAMQQRJM-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210810594 1372430631 /nfs/dbraw/zinc/43/06/31/1372430631.db2.gz AIPHXQJIZONQJQ-BESKYLIDSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094550 1372484694 /nfs/dbraw/zinc/48/46/94/1372484694.db2.gz FOSGISNPPKWQKC-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094921 1372484744 /nfs/dbraw/zinc/48/47/44/1372484744.db2.gz YZEJZJYMFXKCNQ-BGEOSOQGSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH2+]Cc1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC001211130936 1372488348 /nfs/dbraw/zinc/48/83/48/1372488348.db2.gz FRMFJAYITLPLFX-UHFFFAOYSA-N 2 0 325.456 3.024 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001211268282 1372516572 /nfs/dbraw/zinc/51/65/72/1372516572.db2.gz HRYFWPFQBOYFBN-LJQANCHMSA-N 2 0 345.531 3.033 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292844 1372522603 /nfs/dbraw/zinc/52/26/03/1372522603.db2.gz SQIGPVJFJJDUHP-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001326473792 1388205879 /nfs/dbraw/zinc/20/58/79/1388205879.db2.gz OAKGGFGOJSDNHR-DLBZAZTESA-N 3 0 333.520 3.330 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374584 1372543186 /nfs/dbraw/zinc/54/31/86/1372543186.db2.gz JORVPMWBPVQGPR-ODWICZQRSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@H](C)[NH2+]C/C=C\Cl)cc1)[NH+](C)C ZINC001326479362 1388208369 /nfs/dbraw/zinc/20/83/69/1388208369.db2.gz HFHHYLKUTKBRED-KJSIREJYSA-N 2 0 337.895 3.046 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(F)c(C(F)(F)F)c2)no1 ZINC001212336071 1372689824 /nfs/dbraw/zinc/68/98/24/1372689824.db2.gz SYUHOPVZPKKNJX-AWEZNQCLSA-N 2 0 346.328 3.197 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc3c(c2)CCCC3=O)CC1 ZINC001213102957 1372840403 /nfs/dbraw/zinc/84/04/03/1372840403.db2.gz CWRLEGZRUDICAT-UHFFFAOYSA-N 2 0 336.439 3.096 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001188083622 1388238651 /nfs/dbraw/zinc/23/86/51/1388238651.db2.gz FPMZHKWLQVWGJF-UXHICEINSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214611304 1373089588 /nfs/dbraw/zinc/08/95/88/1373089588.db2.gz ZARGAGYZBFIUSO-KURKYZTESA-N 2 0 337.552 3.122 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001127327668 1373115882 /nfs/dbraw/zinc/11/58/82/1373115882.db2.gz TZLPAXJCBMFDIK-SFHVURJKSA-N 2 0 345.531 3.335 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001127326961 1373115978 /nfs/dbraw/zinc/11/59/78/1373115978.db2.gz DBWARSOSGYXRNN-KRWDZBQOSA-N 2 0 331.504 3.026 20 0 EGADRP CC1CCC(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001127356444 1373117833 /nfs/dbraw/zinc/11/78/33/1373117833.db2.gz CLEBGBCJAGUCRG-ACBHZAAOSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855664 1373130211 /nfs/dbraw/zinc/13/02/11/1373130211.db2.gz KJKWDDBDNKYMRY-CEXWTWQISA-N 2 0 337.552 3.122 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855228 1373130237 /nfs/dbraw/zinc/13/02/37/1373130237.db2.gz ANWHATZOAUSWPA-MISYRCLQSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855905 1373130538 /nfs/dbraw/zinc/13/05/38/1373130538.db2.gz RGMCVBLWJYLENP-FBYXPACISA-N 2 0 349.563 3.432 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001214888782 1373136406 /nfs/dbraw/zinc/13/64/06/1373136406.db2.gz BMTMVKRCPRQDOJ-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215069094 1373164585 /nfs/dbraw/zinc/16/45/85/1373164585.db2.gz AJZMGELPRLREKW-FOVLHFFESA-N 2 0 340.471 3.131 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224644 1373188974 /nfs/dbraw/zinc/18/89/74/1373188974.db2.gz VRZMGJXQHCHMDP-DUFRMZEJSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001215930209 1373251521 /nfs/dbraw/zinc/25/15/21/1373251521.db2.gz TWEIWWBRQQKEJD-VQIMIIECSA-N 2 0 345.531 3.235 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001216217250 1373282602 /nfs/dbraw/zinc/28/26/02/1373282602.db2.gz MQVQUMHHSBEWRC-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216965499 1373372488 /nfs/dbraw/zinc/37/24/88/1373372488.db2.gz VLLNPRUCQKHGFW-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1ccc2ccccc2c1 ZINC001129380807 1373378791 /nfs/dbraw/zinc/37/87/91/1373378791.db2.gz NDSHKAMXEABIEP-INIZCTEOSA-N 2 0 339.483 3.091 20 0 EGADRP CC1(C)CCC(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001129430743 1373382946 /nfs/dbraw/zinc/38/29/46/1373382946.db2.gz XACIRWVKAGWNQY-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217704110 1373490983 /nfs/dbraw/zinc/49/09/83/1373490983.db2.gz SNMLWXQLSVUUOT-ZNMIVQPWSA-N 2 0 334.851 3.384 20 0 EGADRP CCCCOc1ccc(-c2nnc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1 ZINC001217758431 1373499217 /nfs/dbraw/zinc/49/92/17/1373499217.db2.gz ZODYIQCOQYYPSZ-UHFFFAOYSA-N 2 0 344.459 3.005 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@@](C)(CO[C@@H]2CCCC[NH2+]C2)O1 ZINC001217773182 1373499632 /nfs/dbraw/zinc/49/96/32/1373499632.db2.gz NNIFOYHNWLUICZ-CTNGQTDRSA-N 2 0 346.515 3.215 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCC[C@@H]2CCC[NH2+]C2)O1 ZINC001217908528 1373511380 /nfs/dbraw/zinc/51/13/80/1373511380.db2.gz JIIPPZRAMPKYKM-AZUAARDMSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@H]1OC[C@@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217917317 1373512131 /nfs/dbraw/zinc/51/21/31/1373512131.db2.gz VUVZGZPIGDAGOA-YFVAEKQCSA-N 2 0 346.515 3.071 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001130614610 1373570540 /nfs/dbraw/zinc/57/05/40/1373570540.db2.gz BNXIVBGGWXRLBE-UHFFFAOYSA-N 2 0 349.494 3.015 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001130622728 1373571714 /nfs/dbraw/zinc/57/17/14/1373571714.db2.gz XICWZXYILYKHCW-LJQANCHMSA-N 2 0 345.531 3.497 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CC[C@H]5C[NH2+]C[C@@H]54)cc32)CC1 ZINC001218459534 1373617756 /nfs/dbraw/zinc/61/77/56/1373617756.db2.gz GLSLZDQVWCFACD-PAXLWEDBSA-N 2 0 339.483 3.354 20 0 EGADRP Cc1nc2c(F)cccc2cc1NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001218708512 1373645847 /nfs/dbraw/zinc/64/58/47/1373645847.db2.gz SFVMMFXEBZMODP-INIZCTEOSA-N 2 0 346.450 3.116 20 0 EGADRP [NH3+][C@H](C(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1)C1CC[NH2+]CC1 ZINC001218988644 1373675296 /nfs/dbraw/zinc/67/52/96/1373675296.db2.gz JHZUTDSZCQYJJX-FQEVSTJZSA-N 2 0 348.450 3.100 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218995453 1373675598 /nfs/dbraw/zinc/67/55/98/1373675598.db2.gz WPVAAQRUTUXQLZ-QGZVFWFLSA-N 2 0 347.462 3.037 20 0 EGADRP CC(C)=CCC/C(C)=C/CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220298308 1373764146 /nfs/dbraw/zinc/76/41/46/1373764146.db2.gz ICBYOXPXLDKQGS-MMWCCMKASA-N 2 0 347.547 3.259 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CCC[C@]4(CCCC[NH2+]4)C3)C2)cc1 ZINC001222385757 1373831554 /nfs/dbraw/zinc/83/15/54/1373831554.db2.gz VZIWRBJHZRXZPO-NHCUHLMSSA-N 2 0 327.516 3.117 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131845044 1373834048 /nfs/dbraw/zinc/83/40/48/1373834048.db2.gz RIMVPCYGSUQOJH-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001222689271 1373860895 /nfs/dbraw/zinc/86/08/95/1373860895.db2.gz NHZRZARYLHALOO-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001326736792 1388294696 /nfs/dbraw/zinc/29/46/96/1388294696.db2.gz ZGTZQUWLGJAIIW-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001188362162 1388296713 /nfs/dbraw/zinc/29/67/13/1388296713.db2.gz ZVXYRTWZYAKRAV-KKHYBRAUSA-N 2 0 343.515 3.055 20 0 EGADRP C[NH+](C)CC[C@H](O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC001224137431 1375055666 /nfs/dbraw/zinc/05/56/66/1375055666.db2.gz WDDBQFZZQNRDIA-HBMCJLEFSA-N 2 0 346.515 3.339 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCc2ncc[nH]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132024888 1375104384 /nfs/dbraw/zinc/10/43/84/1375104384.db2.gz JPAFASGLPWKJRK-AEFFLSMTSA-N 2 0 344.503 3.202 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC1CCC1 ZINC001132105646 1375149745 /nfs/dbraw/zinc/14/97/45/1375149745.db2.gz KQDIDVZQDUEPPB-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C3CCC3)CC[C@@H]2C)cs1 ZINC001132106189 1375151416 /nfs/dbraw/zinc/15/14/16/1375151416.db2.gz QXRHBOSYNZDJIQ-WMLDXEAASA-N 2 0 349.544 3.010 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC1CCC1 ZINC001132107475 1375151750 /nfs/dbraw/zinc/15/17/50/1375151750.db2.gz ZGLKVHPCQMKCRS-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CCCCCC1 ZINC001132106128 1375151926 /nfs/dbraw/zinc/15/19/26/1375151926.db2.gz QHCSVEQIIAEOBC-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC(F)F ZINC001327004296 1388362943 /nfs/dbraw/zinc/36/29/43/1388362943.db2.gz KBEUEDNCJFILSZ-UHFFFAOYSA-N 2 0 340.414 3.262 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CC1CCC1 ZINC001132210319 1375211789 /nfs/dbraw/zinc/21/17/89/1375211789.db2.gz GGOHFNHWYUGFAV-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001226268120 1375231175 /nfs/dbraw/zinc/23/11/75/1375231175.db2.gz YTJQYLYBRUKYFY-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC001226340977 1375243279 /nfs/dbraw/zinc/24/32/79/1375243279.db2.gz HUAKOMYMUGQJCT-BSDSXHPESA-N 2 0 337.552 3.170 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC/C=C/c1ccccc1 ZINC001132277371 1375260850 /nfs/dbraw/zinc/26/08/50/1375260850.db2.gz GEAYPWXZTBUWSG-ZPPSIVDRSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CCCCCF ZINC001132311704 1375290470 /nfs/dbraw/zinc/29/04/70/1375290470.db2.gz WYYUCYWBCLMONO-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC=C(C)C)C1 ZINC001132365745 1375331368 /nfs/dbraw/zinc/33/13/68/1375331368.db2.gz PQWPFBLNGRXADI-RTBURBONSA-N 2 0 337.552 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132376724 1375338458 /nfs/dbraw/zinc/33/84/58/1375338458.db2.gz PUKHENZMYFKYLN-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380847 1375340021 /nfs/dbraw/zinc/34/00/21/1375340021.db2.gz QFKYXHOSOBZHFL-NHQAVIFJSA-N 2 0 349.563 3.434 20 0 EGADRP CCc1ccc(C[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]2C)cc1 ZINC001132409835 1375357907 /nfs/dbraw/zinc/35/79/07/1375357907.db2.gz FTBPCQNJYKFRKH-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132411028 1375360261 /nfs/dbraw/zinc/36/02/61/1375360261.db2.gz RYBPQUUUVPOCMN-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226942175 1375364473 /nfs/dbraw/zinc/36/44/73/1375364473.db2.gz QWTRNZUOOGUTMT-POMXJBLMSA-N 2 0 337.552 3.336 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435496 1375380272 /nfs/dbraw/zinc/38/02/72/1375380272.db2.gz FAUKITVBZZVIKR-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132442303 1375387018 /nfs/dbraw/zinc/38/70/18/1375387018.db2.gz ZBARESCDDJQTIK-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)c(C)c1 ZINC001132518976 1375437269 /nfs/dbraw/zinc/43/72/69/1375437269.db2.gz QSWPUEULKUYPEX-AZUAARDMSA-N 2 0 345.531 3.113 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227509137 1375440047 /nfs/dbraw/zinc/44/00/47/1375440047.db2.gz ZLWVOZZPWTWJEX-QZTJIDSGSA-N 2 0 328.460 3.011 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703415 1375463626 /nfs/dbraw/zinc/46/36/26/1375463626.db2.gz HQVXIUWAJVVLEF-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001228040431 1375509351 /nfs/dbraw/zinc/50/93/51/1375509351.db2.gz YPLDQWFVQVVWKS-OAHLLOKOSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001228063875 1375514570 /nfs/dbraw/zinc/51/45/70/1375514570.db2.gz DYHLCBVNKKVVDQ-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccccc2C(C)C)C1 ZINC001132738512 1375539554 /nfs/dbraw/zinc/53/95/54/1375539554.db2.gz GLAPEAICHVAIPO-IBGZPJMESA-N 2 0 345.531 3.138 20 0 EGADRP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cs1 ZINC001132795548 1375568201 /nfs/dbraw/zinc/56/82/01/1375568201.db2.gz USOPENDFHFKBON-SFHVURJKSA-N 2 0 349.544 3.059 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)[NH+](CC)CC ZINC001228558579 1375596835 /nfs/dbraw/zinc/59/68/35/1375596835.db2.gz CCLAMENUKFNXBK-KZNAEPCWSA-N 2 0 343.531 3.264 20 0 EGADRP CC[N@@H+]1CC[C@@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C1 ZINC001228823875 1375687980 /nfs/dbraw/zinc/68/79/80/1375687980.db2.gz SABWWGJZQOHVSG-QGZVFWFLSA-N 2 0 327.472 3.450 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)c1cccc(Cl)c1 ZINC001132983914 1375693544 /nfs/dbraw/zinc/69/35/44/1375693544.db2.gz PRJNZLRKBHYOPE-ZDUSSCGKSA-N 2 0 349.862 3.075 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001132985777 1375695369 /nfs/dbraw/zinc/69/53/69/1375695369.db2.gz RNXCPKJBNXLIAN-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133010795 1375709076 /nfs/dbraw/zinc/70/90/76/1375709076.db2.gz BIMBFYLWLDHRGC-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001228932751 1375720099 /nfs/dbraw/zinc/72/00/99/1375720099.db2.gz USGIZPXKQUZPIS-GUDVDZBRSA-N 2 0 335.536 3.233 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001229058269 1375753541 /nfs/dbraw/zinc/75/35/41/1375753541.db2.gz IWQJXATZFPQADO-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001133072039 1375758826 /nfs/dbraw/zinc/75/88/26/1375758826.db2.gz DLLNCHKVSWPFIY-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001133185655 1375829313 /nfs/dbraw/zinc/82/93/13/1375829313.db2.gz GYSNPMGQKDIAEV-MOPGFXCFSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229462144 1375839949 /nfs/dbraw/zinc/83/99/49/1375839949.db2.gz JEEFKFXJVFQWHO-IBGZPJMESA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC001229523996 1375851344 /nfs/dbraw/zinc/85/13/44/1375851344.db2.gz LNPPWQDLIVJXAO-KZNAEPCWSA-N 2 0 325.541 3.027 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133254174 1375870614 /nfs/dbraw/zinc/87/06/14/1375870614.db2.gz PGMVUFIFLCNAOW-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001229651458 1375872198 /nfs/dbraw/zinc/87/21/98/1375872198.db2.gz BNPNIOHVTYTWMN-VAMGGRTRSA-N 2 0 345.531 3.497 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)C(C)C ZINC001229655910 1375872422 /nfs/dbraw/zinc/87/24/22/1375872422.db2.gz UHLUQPGRKGZARQ-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001133262850 1375879178 /nfs/dbraw/zinc/87/91/78/1375879178.db2.gz MQSPFADYJMDROS-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001230016441 1375932233 /nfs/dbraw/zinc/93/22/33/1375932233.db2.gz NZDJSEJLSHVROT-KRWDZBQOSA-N 2 0 343.531 3.217 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001230035478 1375933872 /nfs/dbraw/zinc/93/38/72/1375933872.db2.gz WFFSWAHOJQCIKC-ZHHRLCKPSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)C(C)C ZINC001133410577 1375993983 /nfs/dbraw/zinc/99/39/83/1375993983.db2.gz OMNAMHGYCJIWTE-UHFFFAOYSA-N 2 0 339.911 3.007 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591954 1376090482 /nfs/dbraw/zinc/09/04/82/1376090482.db2.gz NRIQNZBNBZDNAT-PXDRNWIDSA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592031 1376090729 /nfs/dbraw/zinc/09/07/29/1376090729.db2.gz QCJNWGAPPFMTTK-KKHYBRAUSA-N 2 0 349.563 3.388 20 0 EGADRP COc1cccc2c(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)c[nH]c21 ZINC001231897149 1376339699 /nfs/dbraw/zinc/33/96/99/1376339699.db2.gz KDTZARRWZLSNJQ-UHFFFAOYSA-N 2 0 336.439 3.202 20 0 EGADRP c1csc(C[NH+]2C[C@@H]3CN(Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)c1 ZINC001232013089 1376381045 /nfs/dbraw/zinc/38/10/45/1376381045.db2.gz XTARYKCCIPMIMV-HOTGVXAUSA-N 2 0 338.480 3.188 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012395 1376382647 /nfs/dbraw/zinc/38/26/47/1376382647.db2.gz HZYLNDZREMOEPW-QRTARXTBSA-N 2 0 342.443 3.050 20 0 EGADRP CN(C[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1)C(=O)OC(C)(C)C ZINC001232017768 1376385798 /nfs/dbraw/zinc/38/57/98/1376385798.db2.gz WHYVIKJDAUAMNI-AWEZNQCLSA-N 2 0 344.459 3.252 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001232017011 1376386453 /nfs/dbraw/zinc/38/64/53/1376386453.db2.gz JOSIKZZUMAAFGF-UHFFFAOYSA-N 2 0 344.459 3.396 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001232145790 1376408860 /nfs/dbraw/zinc/40/88/60/1376408860.db2.gz ATMADWCYQAGIAF-INIZCTEOSA-N 2 0 336.451 3.051 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(OCc3ccccc3)nc1)CC2 ZINC001232358599 1376449024 /nfs/dbraw/zinc/44/90/24/1376449024.db2.gz NARFQNDAFFJOHM-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(C)(C)C)CC3)cn2)CC1 ZINC001232360939 1376449418 /nfs/dbraw/zinc/44/94/18/1376449418.db2.gz PKMYDJFKKIQDEB-UHFFFAOYSA-N 2 0 330.520 3.092 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(OC(F)F)nc2)CC1 ZINC001232954860 1376547110 /nfs/dbraw/zinc/54/71/10/1376547110.db2.gz QENZAYGUXWWIOO-UHFFFAOYSA-N 2 0 327.419 3.235 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729685 1376682443 /nfs/dbraw/zinc/68/24/43/1376682443.db2.gz LBIBZCSBTQLFID-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)[NH+]1CCCCCC1 ZINC001134759677 1376704951 /nfs/dbraw/zinc/70/49/51/1376704951.db2.gz XPTZGHMSEZDCBX-XLIONFOSSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001134765977 1376710305 /nfs/dbraw/zinc/71/03/05/1376710305.db2.gz BRHCHTAGHYDLAZ-AZUAARDMSA-N 2 0 345.531 3.333 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001134772379 1376712316 /nfs/dbraw/zinc/71/23/16/1376712316.db2.gz CQSLNKXYHWUVDI-HZPDHXFCSA-N 2 0 337.552 3.170 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)c1 ZINC001134772884 1376712838 /nfs/dbraw/zinc/71/28/38/1376712838.db2.gz IQOVUIXVFPKCCH-SJORKVTESA-N 2 0 347.547 3.352 20 0 EGADRP Clc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)o2)cc1 ZINC001235036933 1376836042 /nfs/dbraw/zinc/83/60/42/1376836042.db2.gz PSKWWUIVPIXYDH-DNVCBOLYSA-N 2 0 346.858 3.410 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235243918 1376862624 /nfs/dbraw/zinc/86/26/24/1376862624.db2.gz ZRPLOCOWXWXAMZ-HXUWFJFHSA-N 3 0 333.495 3.241 20 0 EGADRP O=c1[nH]cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c2ccccc12 ZINC001235243077 1376863223 /nfs/dbraw/zinc/86/32/23/1376863223.db2.gz VSACGXJLYKBSGL-LJQANCHMSA-N 2 0 325.456 3.295 20 0 EGADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C[C@H]2CCCC[NH2+]2)C3)c1 ZINC001235630248 1376878542 /nfs/dbraw/zinc/87/85/42/1376878542.db2.gz WWSIOPFALIQEEP-WOJBJXKFSA-N 2 0 331.479 3.008 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076353 1376881762 /nfs/dbraw/zinc/88/17/62/1376881762.db2.gz AOMAGLZSOPMAKJ-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135100078 1376898163 /nfs/dbraw/zinc/89/81/63/1376898163.db2.gz AWBKVCWFPMPCCA-ROUUACIJSA-N 2 0 337.552 3.338 20 0 EGADRP Cc1ccc2ccccc2c1C[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001235816775 1376899174 /nfs/dbraw/zinc/89/91/74/1376899174.db2.gz ZJIJDWSLJAGABS-UHFFFAOYSA-N 2 0 337.511 3.408 20 0 EGADRP [NH3+]CCN(Cc1ccc(Cl)cc1Cl)C[C@@H]([NH3+])c1ccccc1 ZINC001235886701 1376911755 /nfs/dbraw/zinc/91/17/55/1376911755.db2.gz DLDDYSSXBXULJR-QGZVFWFLSA-N 2 0 338.282 3.454 20 0 EGADRP CN(C[C@H]1CC[NH2+]C1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001235922905 1376918624 /nfs/dbraw/zinc/91/86/24/1376918624.db2.gz IMGBSHOXFMLSDB-SFHVURJKSA-N 2 0 335.495 3.002 20 0 EGADRP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)c2)cc1 ZINC001236077054 1376932737 /nfs/dbraw/zinc/93/27/37/1376932737.db2.gz FKPKZVVWXZRNGY-JOCHJYFZSA-N 2 0 335.495 3.269 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+](C)CCCC[NH3+] ZINC001236140990 1376936331 /nfs/dbraw/zinc/93/63/31/1376936331.db2.gz CEEKZJNZYXKSMB-UHFFFAOYSA-N 2 0 337.851 3.169 20 0 EGADRP [NH3+]Cc1cccc(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236388449 1376951675 /nfs/dbraw/zinc/95/16/75/1376951675.db2.gz DYQLIJIEXLCQAM-HXUWFJFHSA-N 2 0 327.447 3.039 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179900 1376953672 /nfs/dbraw/zinc/95/36/72/1376953672.db2.gz BMJLBIZHHJMOHB-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP COc1ccccc1C[N@H+](Cc1c(C)n[nH]c1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702202 1376961427 /nfs/dbraw/zinc/96/14/27/1376961427.db2.gz ZUPYLEYYELWANY-IYARVYRRSA-N 2 0 342.487 3.307 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299763 1377027357 /nfs/dbraw/zinc/02/73/57/1377027357.db2.gz ZSNMCUVGXWNHQE-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3COc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246379462 1377051703 /nfs/dbraw/zinc/05/17/03/1377051703.db2.gz NXCSRJNEAIBMMA-SESVDKBCSA-N 2 0 336.479 3.191 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@@H+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001246545976 1377052017 /nfs/dbraw/zinc/05/20/17/1377052017.db2.gz DPJSJPIPTMQPFG-QLOJAFMTSA-N 2 0 348.462 3.308 20 0 EGADRP [NH3+]CCN(Cc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246820692 1377055317 /nfs/dbraw/zinc/05/53/17/1377055317.db2.gz JKOMWBDZEKEHPX-HNNXBMFYSA-N 2 0 342.314 3.429 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)NC(=O)CC[NH+](C)C ZINC001135372104 1377059561 /nfs/dbraw/zinc/05/95/61/1377059561.db2.gz NBPMFKDAUROLPN-IRXDYDNUSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001135376691 1377062120 /nfs/dbraw/zinc/06/21/20/1377062120.db2.gz XQQWWMQYGTYBAV-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])Cc1nc(-c2ccc(Cl)c(F)c2Cl)no1 ZINC001248220728 1377067396 /nfs/dbraw/zinc/06/73/96/1377067396.db2.gz LJZOURAOXKELIY-QMMMGPOBSA-N 2 0 347.221 3.181 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001135437238 1377097226 /nfs/dbraw/zinc/09/72/26/1377097226.db2.gz RBLFBTTZTXRKAQ-UHFFFAOYSA-N 2 0 339.911 3.058 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc(OCc3ccccn3)cc2)CC1 ZINC001254508451 1377105655 /nfs/dbraw/zinc/10/56/55/1377105655.db2.gz JCIZACRNUTYHJB-LJQANCHMSA-N 2 0 339.483 3.277 20 0 EGADRP C[N@H+]([C@H]1CCC[NH+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529469 1377107316 /nfs/dbraw/zinc/10/73/16/1377107316.db2.gz GHHLFVCTPUKAKH-LPHOPBHVSA-N 2 0 339.524 3.192 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C)C(C)C ZINC001135474023 1377110109 /nfs/dbraw/zinc/11/01/09/1377110109.db2.gz DPODWAYARTWCGF-AZUAARDMSA-N 2 0 347.547 3.437 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CCCCc1ccccc1)C(C)C ZINC001135478228 1377111503 /nfs/dbraw/zinc/11/15/03/1377111503.db2.gz XGSOVKRNZHGISE-HXUWFJFHSA-N 2 0 347.547 3.082 20 0 EGADRP CC(C)CC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001256365830 1377111576 /nfs/dbraw/zinc/11/15/76/1377111576.db2.gz UAYWZQVWXZUNKX-ZRNYENFQSA-N 2 0 347.551 3.276 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1c(C)cc(C(C)(C)C)cc1C ZINC001135513018 1377123625 /nfs/dbraw/zinc/12/36/25/1377123625.db2.gz CZNCENMNHGBIPX-UHFFFAOYSA-N 2 0 347.547 3.149 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001265447137 1377153159 /nfs/dbraw/zinc/15/31/59/1377153159.db2.gz YWDLCBRKILVJEX-OALUTQOASA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001135610605 1377161384 /nfs/dbraw/zinc/16/13/84/1377161384.db2.gz YIYHRQNLLFNYGU-QZTJIDSGSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135705974 1377190712 /nfs/dbraw/zinc/19/07/12/1377190712.db2.gz MGYWWYYMEYOXMV-LSDHHAIUSA-N 2 0 347.494 3.027 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001266113097 1377190688 /nfs/dbraw/zinc/19/06/88/1377190688.db2.gz HOFDRTIGSDESPJ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767515 1377206451 /nfs/dbraw/zinc/20/64/51/1377206451.db2.gz FEXNFFWTWGGLHO-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001135824787 1377222672 /nfs/dbraw/zinc/22/26/72/1377222672.db2.gz XOTGZLXQDXTVCC-MSOLQXFVSA-N 2 0 345.531 3.180 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135858240 1377236923 /nfs/dbraw/zinc/23/69/23/1377236923.db2.gz VOXVLOMNWZUPML-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135858100 1377237209 /nfs/dbraw/zinc/23/72/09/1377237209.db2.gz SKQRDRAOGCDZTD-OLZOCXBDSA-N 2 0 345.940 3.116 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135960508 1377277069 /nfs/dbraw/zinc/27/70/69/1377277069.db2.gz DCCRIQLPBPAASM-QZTJIDSGSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001135997122 1377292695 /nfs/dbraw/zinc/29/26/95/1377292695.db2.gz YRYSUHFAWNDIDN-ROUUACIJSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001266361365 1377296118 /nfs/dbraw/zinc/29/61/18/1377296118.db2.gz LVZUMRDYDHEDOO-ICSRJNTNSA-N 2 0 343.515 3.123 20 0 EGADRP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001266373740 1377298547 /nfs/dbraw/zinc/29/85/47/1377298547.db2.gz KMGPWTULBWVDAE-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309383 1388493919 /nfs/dbraw/zinc/49/39/19/1388493919.db2.gz VBHGRCDNTQQDIS-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001266819650 1377386106 /nfs/dbraw/zinc/38/61/06/1377386106.db2.gz COCUGHBLYUWHNJ-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1ccccc1C ZINC001267807590 1377470885 /nfs/dbraw/zinc/47/08/85/1377470885.db2.gz YZJWGUDOESJLJO-IAGOWNOFSA-N 2 0 331.504 3.025 20 0 EGADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1ccccc1C ZINC001267807591 1377470903 /nfs/dbraw/zinc/47/09/03/1377470903.db2.gz YZJWGUDOESJLJO-IRXDYDNUSA-N 2 0 331.504 3.025 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001268736058 1377520032 /nfs/dbraw/zinc/52/00/32/1377520032.db2.gz QBIOXWUUAXDZQL-HOTGVXAUSA-N 2 0 344.503 3.375 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2 ZINC001138246481 1377693752 /nfs/dbraw/zinc/69/37/52/1377693752.db2.gz OMLXEKGQOWFCKC-UHFFFAOYSA-N 2 0 336.863 3.377 20 0 EGADRP CCCN(CCC[NH+](C)C)Cc1ccc(OC(F)F)c(OC)c1 ZINC001138555444 1377741699 /nfs/dbraw/zinc/74/16/99/1377741699.db2.gz CWXIILVGLYYNDW-UHFFFAOYSA-N 2 0 330.419 3.460 20 0 EGADRP CC[NH+]1C[C@@H]2CN(Cc3ccc(OC)c4cccc(OC)c34)C[C@H]2C1 ZINC001138753797 1377780626 /nfs/dbraw/zinc/78/06/26/1377780626.db2.gz AZWZRRILWOUTGC-IAGOWNOFSA-N 2 0 340.467 3.241 20 0 EGADRP Cc1c[nH]c(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)n1 ZINC001138936614 1377804848 /nfs/dbraw/zinc/80/48/48/1377804848.db2.gz MJABGSDGFLRMLH-KRWDZBQOSA-N 2 0 328.460 3.188 20 0 EGADRP CCCn1cc(CN2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cn1 ZINC001139038584 1377820950 /nfs/dbraw/zinc/82/09/50/1377820950.db2.gz FUJKLULXWHAOKW-SFTDATJTSA-N 2 0 338.499 3.165 20 0 EGADRP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001139098832 1377829552 /nfs/dbraw/zinc/82/95/52/1377829552.db2.gz OYQGOERPODYSIO-UHFFFAOYSA-N 2 0 328.460 3.108 20 0 EGADRP Cn1ncc2ccc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cc21 ZINC001139907791 1377975303 /nfs/dbraw/zinc/97/53/03/1377975303.db2.gz NITWVZHXPNODIR-RBUKOAKNSA-N 2 0 326.488 3.412 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(O)c(C)c1 ZINC001140578669 1378088710 /nfs/dbraw/zinc/08/87/10/1378088710.db2.gz WEQFLJSSHORJRD-UHFFFAOYSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)CCCC(C)(C)C ZINC001273591310 1378104314 /nfs/dbraw/zinc/10/43/14/1378104314.db2.gz NEFUCSHNHCJPRY-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCC(F)(F)F)(C2)CCC3)n(C)n1 ZINC001275165230 1378136202 /nfs/dbraw/zinc/13/62/02/1378136202.db2.gz ZDYJFRVRXNYURP-CVEARBPZSA-N 2 0 344.425 3.206 20 0 EGADRP c1cc2c(cc1CN1CCC3(CCC[N@H+]3CC3CC3)CC1)OCCO2 ZINC001141036790 1378215605 /nfs/dbraw/zinc/21/56/05/1378215605.db2.gz AVSAXTADZCKPRS-UHFFFAOYSA-N 2 0 342.483 3.298 20 0 EGADRP Cc1ncoc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141056773 1378222985 /nfs/dbraw/zinc/22/29/85/1378222985.db2.gz DMWXHPUJTFRTCD-RBUKOAKNSA-N 2 0 325.456 3.327 20 0 EGADRP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[NH+](C[C@@H]1COCCO1)CC2 ZINC001277524619 1378230434 /nfs/dbraw/zinc/23/04/34/1378230434.db2.gz IKIUMORVCYLEBK-RBUKOAKNSA-N 2 0 338.536 3.016 20 0 EGADRP CCCC[C@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](CCNC(C)=O)CC2 ZINC001277905963 1378251517 /nfs/dbraw/zinc/25/15/17/1378251517.db2.gz PDIDCGSUQHWQOU-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C=C(C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC001278130536 1378259067 /nfs/dbraw/zinc/25/90/67/1378259067.db2.gz AJMCOAWDJBRKNC-KRWDZBQOSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@H+](Cc1cccc(-n2ccnc2)c1)Cc1ccc2c(c1)OCCO2 ZINC001141237997 1378279688 /nfs/dbraw/zinc/27/96/88/1378279688.db2.gz DRPCVMZTLKSDJI-UHFFFAOYSA-N 2 0 335.407 3.276 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001278567606 1378283626 /nfs/dbraw/zinc/28/36/26/1378283626.db2.gz GWJKZNXHSRRBPK-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142192879 1378419876 /nfs/dbraw/zinc/41/98/76/1378419876.db2.gz YLDNCDJWQNZFIT-MSOLQXFVSA-N 2 0 330.472 3.025 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc3c(c1)OCCCO3)CC2 ZINC001142274422 1378427602 /nfs/dbraw/zinc/42/76/02/1378427602.db2.gz UCEODTYGZKAGNG-UHFFFAOYSA-N 2 0 330.472 3.156 20 0 EGADRP C[C@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001142307042 1378432677 /nfs/dbraw/zinc/43/26/77/1378432677.db2.gz QSSAIKKBCIDAJS-FGTMMUONSA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCCC1CCC1)[NH+](C)C ZINC001282663237 1378532349 /nfs/dbraw/zinc/53/23/49/1378532349.db2.gz APNWYLAZDFOIHB-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(F)cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001143580390 1378619851 /nfs/dbraw/zinc/61/98/51/1378619851.db2.gz ICBOZWNBTFZVFW-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3[nH]nc4ccc(F)cc43)CC2)CC1 ZINC001144199797 1378697220 /nfs/dbraw/zinc/69/72/20/1378697220.db2.gz SZJQTTCRWKEVJA-UHFFFAOYSA-N 2 0 330.451 3.256 20 0 EGADRP CCN(CCC[NH+](C)C)Cc1ccc(Br)c(OC)c1 ZINC001144233147 1378703009 /nfs/dbraw/zinc/70/30/09/1378703009.db2.gz CUGJWFJHQICNCB-UHFFFAOYSA-N 2 0 329.282 3.231 20 0 EGADRP Cc1nc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)sc1C ZINC001144360000 1378720318 /nfs/dbraw/zinc/72/03/18/1378720318.db2.gz ZSQZRTSKZHDHMV-UHFFFAOYSA-N 2 0 337.533 3.084 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146396540 1378834132 /nfs/dbraw/zinc/83/41/32/1378834132.db2.gz AQWUAANWMFKXGB-CQQBRXBZSA-N 2 0 337.552 3.482 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583476 1378871077 /nfs/dbraw/zinc/87/10/77/1378871077.db2.gz LNFWVCOJSAGJNX-IAGOWNOFSA-N 2 0 333.520 3.425 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001146593039 1378872904 /nfs/dbraw/zinc/87/29/04/1378872904.db2.gz MSXKXGDMIGCHDW-DLBZAZTESA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001146593882 1378872993 /nfs/dbraw/zinc/87/29/93/1378872993.db2.gz QYCGKIHMSTZRQS-OLZOCXBDSA-N 2 0 345.940 3.115 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001146593883 1378873703 /nfs/dbraw/zinc/87/37/03/1378873703.db2.gz QYCGKIHMSTZRQS-QWHCGFSZSA-N 2 0 345.940 3.115 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146608732 1378876614 /nfs/dbraw/zinc/87/66/14/1378876614.db2.gz AZHVFMJRUWYKTR-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001146933294 1378945123 /nfs/dbraw/zinc/94/51/23/1378945123.db2.gz GXYLVCPXYKKTDH-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001147359996 1379009154 /nfs/dbraw/zinc/00/91/54/1379009154.db2.gz YXGOQTOEUDYBQI-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147541869 1379039370 /nfs/dbraw/zinc/03/93/70/1379039370.db2.gz ZVSZWUBARGNSRZ-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001283621423 1379060725 /nfs/dbraw/zinc/06/07/25/1379060725.db2.gz KPWCTPSBMVYINM-APWZRJJASA-N 2 0 331.504 3.059 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147742908 1379070593 /nfs/dbraw/zinc/07/05/93/1379070593.db2.gz UCSWENZQJONLMJ-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2)[NH+](CC)CC ZINC001148284850 1379145435 /nfs/dbraw/zinc/14/54/35/1379145435.db2.gz HKTMBGTYXIONOO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284961 1379146309 /nfs/dbraw/zinc/14/63/09/1379146309.db2.gz LBHCSPGZUDMNBB-GNISGLHKSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001148418042 1379168450 /nfs/dbraw/zinc/16/84/50/1379168450.db2.gz ABZNCWNHRWILFY-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001283904217 1379250591 /nfs/dbraw/zinc/25/05/91/1379250591.db2.gz DZHZAYNJQWJEDW-APWZRJJASA-N 2 0 335.536 3.020 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001284005941 1379357085 /nfs/dbraw/zinc/35/70/85/1379357085.db2.gz YNWOUGJFBXSJAS-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001149387295 1379374432 /nfs/dbraw/zinc/37/44/32/1379374432.db2.gz SOAVSHKMCJWFEG-IBGZPJMESA-N 2 0 345.531 3.087 20 0 EGADRP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392036 1379926187 /nfs/dbraw/zinc/92/61/87/1379926187.db2.gz JJFVFNTXZMLKBG-XLIONFOSSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCCC1 ZINC001152473661 1379940020 /nfs/dbraw/zinc/94/00/20/1379940020.db2.gz XSGGVXQUUNNKPK-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CC2CCCCC2)o1 ZINC001153266777 1380046605 /nfs/dbraw/zinc/04/66/05/1380046605.db2.gz PDBNMHBWHPLGLP-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccccc2)o1 ZINC001153266398 1380046822 /nfs/dbraw/zinc/04/68/22/1380046822.db2.gz IUYCIWAMNJXRHT-MRXNPFEDSA-N 2 0 343.471 3.202 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001153302394 1380051623 /nfs/dbraw/zinc/05/16/23/1380051623.db2.gz UQQVKTRLQKTQGP-RBUKOAKNSA-N 2 0 337.552 3.175 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362219 1380064867 /nfs/dbraw/zinc/06/48/67/1380064867.db2.gz KXBDMGKTWBZQMF-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1=CCCCC1 ZINC001153728230 1380119554 /nfs/dbraw/zinc/11/95/54/1380119554.db2.gz KMOLYPLEGLODNL-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818862 1380136208 /nfs/dbraw/zinc/13/62/08/1380136208.db2.gz DBQYYRMHRQXCGU-IEBWSBKVSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819106 1380136290 /nfs/dbraw/zinc/13/62/90/1380136290.db2.gz NRCXHDDWFADKON-MSOLQXFVSA-N 2 0 325.541 3.266 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116293 1380211924 /nfs/dbraw/zinc/21/19/24/1380211924.db2.gz GMTHGGBPPRLNIT-OAHLLOKOSA-N 2 0 348.466 3.223 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154122750 1380212400 /nfs/dbraw/zinc/21/24/00/1380212400.db2.gz JKECQANNHWIJEI-FAPWYTRCSA-N 2 0 337.552 3.290 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167666 1380219838 /nfs/dbraw/zinc/21/98/38/1380219838.db2.gz OLFAWQBZPWLYQF-GOSISDBHSA-N 2 0 347.547 3.332 20 0 EGADRP CC[C@H](F)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464522 1380283128 /nfs/dbraw/zinc/28/31/28/1380283128.db2.gz OANAHFDDYKHNBQ-SJORKVTESA-N 2 0 343.531 3.216 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154480652 1380285609 /nfs/dbraw/zinc/28/56/09/1380285609.db2.gz CQVCFZANYDFLNW-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](Cc1ccccc1Cl)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903768 1380374509 /nfs/dbraw/zinc/37/45/09/1380374509.db2.gz CFAPWUYTOOKMBO-OAHLLOKOSA-N 2 0 339.911 3.008 20 0 EGADRP c1ccc2c(c1)CC[N@H+]1CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001155094949 1380407179 /nfs/dbraw/zinc/40/71/79/1380407179.db2.gz HIXOBUKRBFHLBS-NRFANRHFSA-N 2 0 348.494 3.097 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255274 1380429425 /nfs/dbraw/zinc/42/94/25/1380429425.db2.gz PQGXRNDDZFEQQJ-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263633 1380430228 /nfs/dbraw/zinc/43/02/28/1380430228.db2.gz UGDJHJQRCGBCPE-GOSISDBHSA-N 2 0 347.547 3.300 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[C@H](C)n1ccnc1 ZINC001155520853 1380463620 /nfs/dbraw/zinc/46/36/20/1380463620.db2.gz DQZXKXYFXJGMFR-DLBZAZTESA-N 2 0 332.492 3.161 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C/C=C/Cl ZINC001155877836 1380501766 /nfs/dbraw/zinc/50/17/66/1380501766.db2.gz LHPUWOJEXAVTKI-SIFUEBAJSA-N 2 0 331.932 3.078 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)sc1C ZINC001155924705 1380505749 /nfs/dbraw/zinc/50/57/49/1380505749.db2.gz MMENQTBOZWCXFP-CQSZACIVSA-N 2 0 339.549 3.033 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994166 1380511730 /nfs/dbraw/zinc/51/17/30/1380511730.db2.gz ILJXQFNSIDXDBD-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994188 1380511781 /nfs/dbraw/zinc/51/17/81/1380511781.db2.gz JTZJJQIWPGXEPU-RBUKOAKNSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200802 1380541249 /nfs/dbraw/zinc/54/12/49/1380541249.db2.gz QKFZLQTYZJSAAL-CQSZACIVSA-N 2 0 339.549 3.033 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CC1CCCCC1 ZINC001156517354 1380587304 /nfs/dbraw/zinc/58/73/04/1380587304.db2.gz VVJLZFINJDCHPY-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP N=C(Nc1[nH+]ccc2c1ccn2Cc1ccccc1)SCC[NH3+] ZINC001157130066 1380783445 /nfs/dbraw/zinc/78/34/45/1380783445.db2.gz ZWDPVXNOLMOTJF-UHFFFAOYSA-N 2 0 325.441 3.123 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001158038608 1381109314 /nfs/dbraw/zinc/10/93/14/1381109314.db2.gz QAFKPHOVKVNEQU-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1cccc(F)c1 ZINC001158079654 1381122490 /nfs/dbraw/zinc/12/24/90/1381122490.db2.gz KTERAZWQDYLSBN-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP CC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097777 1381126315 /nfs/dbraw/zinc/12/63/15/1381126315.db2.gz DYFCYIWXAXFGOR-JXCVUKRWSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C)[NH+](C)C ZINC001158118228 1381134055 /nfs/dbraw/zinc/13/40/55/1381134055.db2.gz VZNADNYMICGRAP-QZTJIDSGSA-N 2 0 339.568 3.466 20 0 EGADRP C[N@H+](C/C=C/Cl)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227470 1381166443 /nfs/dbraw/zinc/16/64/43/1381166443.db2.gz JFKSTXMPOHGDTP-IOMDMTNGSA-N 2 0 346.862 3.013 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158472965 1381256475 /nfs/dbraw/zinc/25/64/75/1381256475.db2.gz HTMJWXQOIIJCHF-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CCCC2)C1 ZINC001158473966 1381257522 /nfs/dbraw/zinc/25/75/22/1381257522.db2.gz RQGNHRZSWXLNIE-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723991 1381367953 /nfs/dbraw/zinc/36/79/53/1381367953.db2.gz UEMFQMXDGGLEQU-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872528 1381443784 /nfs/dbraw/zinc/44/37/84/1381443784.db2.gz NXHWKROJEIWYAD-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158923118 1381466128 /nfs/dbraw/zinc/46/61/28/1381466128.db2.gz OPMXZWIGGYWIAA-RTBURBONSA-N 2 0 339.568 3.322 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCCC(=O)c3ccccc3)c2)CC1 ZINC001159022900 1381516017 /nfs/dbraw/zinc/51/60/17/1381516017.db2.gz IXZXSOGZVNAAFB-UHFFFAOYSA-N 2 0 339.439 3.240 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2cccnc2OCC2CC[NH2+]CC2)cc1 ZINC001159295815 1381756155 /nfs/dbraw/zinc/75/61/55/1381756155.db2.gz REXAWNOFLAXRFL-UHFFFAOYSA-N 2 0 340.471 3.397 20 0 EGADRP Fc1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)ccc1N1CC[NH2+]CC1 ZINC001159537580 1381820858 /nfs/dbraw/zinc/82/08/58/1381820858.db2.gz HZIHNRVBJUYQPT-SFHVURJKSA-N 2 0 344.478 3.179 20 0 EGADRP CC[NH+](CC)CCn1cc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)cn1 ZINC001159776759 1381896788 /nfs/dbraw/zinc/89/67/88/1381896788.db2.gz WHWKSUIDOLJDEQ-KRWDZBQOSA-N 2 0 327.476 3.045 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])NC(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001159785314 1381899176 /nfs/dbraw/zinc/89/91/76/1381899176.db2.gz OUBRMDBBFBNFGB-ZDUSSCGKSA-N 2 0 349.212 3.204 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc(Cl)nc1Oc1ccc(Cl)cc1 ZINC001159788700 1381899613 /nfs/dbraw/zinc/89/96/13/1381899613.db2.gz KOIPYDXOBVUQOW-GFCCVEGCSA-N 2 0 342.230 3.011 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC001159797354 1381903219 /nfs/dbraw/zinc/90/32/19/1381903219.db2.gz WRCPHLLOROBNGJ-UHFFFAOYSA-N 2 0 341.455 3.243 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001159911055 1381934222 /nfs/dbraw/zinc/93/42/22/1381934222.db2.gz XDGQCNFEZIAHOG-HXUWFJFHSA-N 2 0 345.531 3.162 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159907573 1381934232 /nfs/dbraw/zinc/93/42/32/1381934232.db2.gz AFFQFNRFKDTMRC-FQEVSTJZSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159908704 1381934714 /nfs/dbraw/zinc/93/47/14/1381934714.db2.gz IWLJHJDAQQTECQ-ZWKOTPCHSA-N 2 0 325.541 3.027 20 0 EGADRP Fc1cccc(N2CC[NH2+]CC2)c1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001160063221 1381987133 /nfs/dbraw/zinc/98/71/33/1381987133.db2.gz XBYZTVZLGLNDGR-GOSISDBHSA-N 2 0 340.446 3.403 20 0 EGADRP [NH3+]C1CCN(c2ccc(F)cc2Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001160083653 1381992926 /nfs/dbraw/zinc/99/29/26/1381992926.db2.gz BMHHSHDCBUSXOY-UHFFFAOYSA-N 2 0 326.419 3.100 20 0 EGADRP Cc1cc(N)[nH+]cc1Nc1c(F)cccc1OCC1CC[NH2+]CC1 ZINC001160156284 1382019231 /nfs/dbraw/zinc/01/92/31/1382019231.db2.gz IBTPRRCZHCXXAC-UHFFFAOYSA-N 2 0 330.407 3.233 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001160275009 1382058422 /nfs/dbraw/zinc/05/84/22/1382058422.db2.gz YPKGOYYDWFYLSY-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP Cc1c(C(=O)NCCC2=CC[N@H+](CC(C)C)CC2)ccc2c[nH+]cn21 ZINC001160580397 1382147620 /nfs/dbraw/zinc/14/76/20/1382147620.db2.gz NTIVCRLIKJAFHO-UHFFFAOYSA-N 2 0 340.471 3.051 20 0 EGADRP COc1cc(C)c(CNc2cccc(N3CCC([NH3+])CC3)[nH+]2)cc1C ZINC001160774821 1382192474 /nfs/dbraw/zinc/19/24/74/1382192474.db2.gz AEQAFWKCHAIHMP-UHFFFAOYSA-N 2 0 340.471 3.247 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787107 1382196111 /nfs/dbraw/zinc/19/61/11/1382196111.db2.gz IDMABVHTYCZGCJ-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1c(Cl)nc(C(C)C)nc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160952112 1382248798 /nfs/dbraw/zinc/24/87/98/1382248798.db2.gz QYSUKBCLGZBQPV-UHFFFAOYSA-N 2 0 329.835 3.402 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001161058544 1382285269 /nfs/dbraw/zinc/28/52/69/1382285269.db2.gz XRURLCDZMBDERV-KXBFYZLASA-N 2 0 349.494 3.012 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161206345 1382340543 /nfs/dbraw/zinc/34/05/43/1382340543.db2.gz ITDALNGOQDITNG-SFHVURJKSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161214287 1382344380 /nfs/dbraw/zinc/34/43/80/1382344380.db2.gz XSIOSQGHZPJKDV-HKUYNNGSSA-N 2 0 337.552 3.291 20 0 EGADRP Cc1nc(NCC2CC[NH+](CC3CCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC001161229215 1382350017 /nfs/dbraw/zinc/35/00/17/1382350017.db2.gz OSQRLRIJAMCPSS-UHFFFAOYSA-N 2 0 343.519 3.309 20 0 EGADRP C[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001161383217 1382391654 /nfs/dbraw/zinc/39/16/54/1382391654.db2.gz MMSJWOBIXCXIBE-SFHVURJKSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001161390326 1382394392 /nfs/dbraw/zinc/39/43/92/1382394392.db2.gz XKZPAKJKDRFUNA-PMACEKPBSA-N 2 0 347.547 3.353 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390480 1382394852 /nfs/dbraw/zinc/39/48/52/1382394852.db2.gz GLRHZJFKBHYDBJ-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161554758 1382438721 /nfs/dbraw/zinc/43/87/21/1382438721.db2.gz RNFWQRYNHUGDFC-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161623048 1382463138 /nfs/dbraw/zinc/46/31/38/1382463138.db2.gz YWMPUOGWMVYMKM-UHFFFAOYSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001161643727 1382468205 /nfs/dbraw/zinc/46/82/05/1382468205.db2.gz AJTRCSXTDFWRMM-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001161643726 1382468246 /nfs/dbraw/zinc/46/82/46/1382468246.db2.gz AJTRCSXTDFWRMM-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CCN(C)c1cc(C)[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001161677394 1382477757 /nfs/dbraw/zinc/47/77/57/1382477757.db2.gz LYBJDGWTGFJBPQ-WKILWMFISA-N 2 0 333.524 3.364 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161704754 1382485495 /nfs/dbraw/zinc/48/54/95/1382485495.db2.gz HUSGPJOPILHQAL-LJQANCHMSA-N 2 0 335.536 3.047 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705488 1382485610 /nfs/dbraw/zinc/48/56/10/1382485610.db2.gz UJNZRNLXFFQOSL-UXHICEINSA-N 2 0 349.563 3.435 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001161862622 1382534086 /nfs/dbraw/zinc/53/40/86/1382534086.db2.gz IXBNJNGJLYRGDB-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001161873129 1382535632 /nfs/dbraw/zinc/53/56/32/1382535632.db2.gz SZJBOSMQECKEAV-IAGOWNOFSA-N 2 0 342.487 3.260 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925075 1382556185 /nfs/dbraw/zinc/55/61/85/1382556185.db2.gz WBZYVKWWVQDSSA-KDURUIRLSA-N 2 0 349.563 3.434 20 0 EGADRP CC1CC(C[N@H+]2CC=C(CCNC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001161932945 1382558822 /nfs/dbraw/zinc/55/88/22/1382558822.db2.gz YSEGIMZIESCRNA-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CCc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)cc1 ZINC001328659035 1388800040 /nfs/dbraw/zinc/80/00/40/1388800040.db2.gz CCYZJGTXDNBYIZ-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(NCCC3CCOCC3)cc2)CC1 ZINC001162222385 1382660509 /nfs/dbraw/zinc/66/05/09/1382660509.db2.gz DYMFWXXWEQBKFO-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CC(C)[PH+](CCNc1nc(Cl)nc2c1CC[NH2+]C2)C(C)C ZINC001162359152 1382739637 /nfs/dbraw/zinc/73/96/37/1382739637.db2.gz YKLWJFUXXCCYQB-UHFFFAOYSA-N 2 0 328.828 3.486 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC001162394856 1382746692 /nfs/dbraw/zinc/74/66/92/1382746692.db2.gz ARELLSYXMPCNMA-UONOGXRCSA-N 2 0 340.393 3.159 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1c[nH+]c2cccc(Br)n12 ZINC001162465172 1382766011 /nfs/dbraw/zinc/76/60/11/1382766011.db2.gz DEANQITWKMLHFU-RYUDHWBXSA-N 2 0 337.265 3.144 20 0 EGADRP F[C@@H]1C[NH2+][C@H](CNc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)C1 ZINC001162481169 1382770023 /nfs/dbraw/zinc/77/00/23/1382770023.db2.gz KPRRKGHHBFFFGK-ICSRJNTNSA-N 2 0 325.431 3.314 20 0 EGADRP [NH3+][C@@H]1Cc2ccccc2N(c2cc(Br)cc3c[nH+]cn32)C1 ZINC001162854450 1382896043 /nfs/dbraw/zinc/89/60/43/1382896043.db2.gz UBNUPICNCPNCKW-CYBMUJFWSA-N 2 0 343.228 3.118 20 0 EGADRP CC[C@@H](C(=O)N(CC[NH2+]CCC(C)C)CCc1ccccc1)[NH+](C)C ZINC001162934940 1382920942 /nfs/dbraw/zinc/92/09/42/1382920942.db2.gz MDWNEFDWOIHTMC-FQEVSTJZSA-N 2 0 347.547 3.034 20 0 EGADRP CC[C@@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163006707 1382945940 /nfs/dbraw/zinc/94/59/40/1382945940.db2.gz JNSFNTXLNXUTTF-LJQANCHMSA-N 2 0 347.547 3.034 20 0 EGADRP C[NH+](C)CC1CCC(Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC001163303826 1383016633 /nfs/dbraw/zinc/01/66/33/1383016633.db2.gz QNQMZZASXWSLLV-UHFFFAOYSA-N 3 0 346.519 3.087 20 0 EGADRP COCC[N@H+](C)[C@@H](CNc1cc(N)c(C)c[nH+]1)c1ccc(Cl)cc1 ZINC001163384611 1383037600 /nfs/dbraw/zinc/03/76/00/1383037600.db2.gz LDSRBDAIFHIJNU-KRWDZBQOSA-N 2 0 348.878 3.357 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cnc5c(c4)C[NH2+]CC5)[C@@H]3C2)cc1 ZINC001164491836 1383192856 /nfs/dbraw/zinc/19/28/56/1383192856.db2.gz HEXKLIQBMNTPDI-UCNVEGJOSA-N 2 0 348.494 3.050 20 0 EGADRP C[NH+]1C[C@@H]2CN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C[C@H]2C1 ZINC001165148656 1383237275 /nfs/dbraw/zinc/23/72/75/1383237275.db2.gz JDYQVQWNFFNYKT-QZTJIDSGSA-N 2 0 332.451 3.082 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165264412 1383261328 /nfs/dbraw/zinc/26/13/28/1383261328.db2.gz CKUGFDQUTWDXMB-OAHLLOKOSA-N 2 0 338.377 3.084 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165333133 1383275420 /nfs/dbraw/zinc/27/54/20/1383275420.db2.gz MWCNHSNXROPBOY-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001165360520 1383281842 /nfs/dbraw/zinc/28/18/42/1383281842.db2.gz QUFHEPHIWCQTOZ-KRWDZBQOSA-N 2 0 339.911 3.229 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1)C1CC1 ZINC001165485213 1383301504 /nfs/dbraw/zinc/30/15/04/1383301504.db2.gz PCIOIAJETRCKDM-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001165719037 1383331541 /nfs/dbraw/zinc/33/15/41/1383331541.db2.gz YDGTYZHSHHGLEV-IEBWSBKVSA-N 2 0 345.531 3.272 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165718235 1383331566 /nfs/dbraw/zinc/33/15/66/1383331566.db2.gz FJKUBHYHOOPDSM-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165967716 1383372101 /nfs/dbraw/zinc/37/21/01/1383372101.db2.gz KQBSHAGHTZTWBA-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1)[NH+](CC)CC ZINC001166454844 1383424015 /nfs/dbraw/zinc/42/40/15/1383424015.db2.gz OJASIHPUYSJZAC-YJBOKZPZSA-N 2 0 337.483 3.103 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001166882092 1383493437 /nfs/dbraw/zinc/49/34/37/1383493437.db2.gz JENNUJAQNLLIQT-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001166883183 1383493647 /nfs/dbraw/zinc/49/36/47/1383493647.db2.gz SOIIMSJCMGOCCU-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166890652 1383495329 /nfs/dbraw/zinc/49/53/29/1383495329.db2.gz OPLPILWXQCJYHN-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP c1ccc([C@@H](CNc2ccc3c(c2)COC32C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC001166910142 1383498700 /nfs/dbraw/zinc/49/87/00/1383498700.db2.gz KWFPPQXDTLONRF-OAQYLSRUSA-N 2 0 349.478 3.264 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CC2(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001166985524 1383509277 /nfs/dbraw/zinc/50/92/77/1383509277.db2.gz ATIHCWWWCPCVQA-ZWKOTPCHSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001167145274 1383551825 /nfs/dbraw/zinc/55/18/25/1383551825.db2.gz ASXQSKJKBWBKDM-LJQANCHMSA-N 2 0 331.504 3.376 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167224929 1383570318 /nfs/dbraw/zinc/57/03/18/1383570318.db2.gz OAYRLZVZOQPWPE-DUMMIQTOSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001167251387 1383575484 /nfs/dbraw/zinc/57/54/84/1383575484.db2.gz SPSZFRRMNRMTNA-QAPCUYQASA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167426645 1383631143 /nfs/dbraw/zinc/63/11/43/1383631143.db2.gz WQTVISYWNVZGLB-MRXNPFEDSA-N 2 0 346.519 3.045 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167610728 1383689033 /nfs/dbraw/zinc/68/90/33/1383689033.db2.gz WQBIQQNVMDVHOU-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1C ZINC001167626749 1383692654 /nfs/dbraw/zinc/69/26/54/1383692654.db2.gz GUKZFDWLPZUDPV-HXUWFJFHSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001167636625 1383695213 /nfs/dbraw/zinc/69/52/13/1383695213.db2.gz WFXXBCKGUJUHDI-WOJBJXKFSA-N 2 0 345.531 3.497 20 0 EGADRP CC(C)(C)OC(=O)C1(Nc2cccc3c2CC[C@@H]3[NH3+])CCC([NH3+])CC1 ZINC001167644187 1383697176 /nfs/dbraw/zinc/69/71/76/1383697176.db2.gz WMLFOVANPVBEJA-FOCKTWCOSA-N 2 0 345.487 3.026 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001167668455 1383705726 /nfs/dbraw/zinc/70/57/26/1383705726.db2.gz UQWWAFKRQZHZTJ-SFHVURJKSA-N 2 0 345.531 3.192 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167694255 1383712605 /nfs/dbraw/zinc/71/26/05/1383712605.db2.gz HVXOCISBLSIVNH-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001167697232 1383713967 /nfs/dbraw/zinc/71/39/67/1383713967.db2.gz QHOBAOSFQIABSQ-HNNXBMFYSA-N 2 0 335.455 3.254 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001167812863 1383746299 /nfs/dbraw/zinc/74/62/99/1383746299.db2.gz ZVWBRXRAFXQYIK-GOSISDBHSA-N 2 0 339.568 3.277 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001167812625 1383746337 /nfs/dbraw/zinc/74/63/37/1383746337.db2.gz RDKRUJUGQFGGBQ-FPLPWBNLSA-N 2 0 337.552 3.341 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)NC2CCC2)CC1 ZINC001167826257 1383750349 /nfs/dbraw/zinc/75/03/49/1383750349.db2.gz NXEVNDFMJLOWOZ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001167827063 1383751023 /nfs/dbraw/zinc/75/10/23/1383751023.db2.gz RZNHCTMTTPCBBZ-QUCCMNQESA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2OC)C1 ZINC001167834170 1383753173 /nfs/dbraw/zinc/75/31/73/1383753173.db2.gz IMWIVAXDHLCTAI-QZTJIDSGSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001167833778 1383753246 /nfs/dbraw/zinc/75/32/46/1383753246.db2.gz FBLJEXKNGFGWKQ-HKUYNNGSSA-N 2 0 343.515 3.227 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2ccc(OC)cn2)C1 ZINC001167833905 1383753358 /nfs/dbraw/zinc/75/33/58/1383753358.db2.gz FQSSMMTZKUEVNY-HKUYNNGSSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1ncccc1F)C1CC[NH2+]CC1 ZINC001167835717 1383753884 /nfs/dbraw/zinc/75/38/84/1383753884.db2.gz UDQNHYGBJWPCDY-MRXNPFEDSA-N 2 0 336.499 3.290 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001167835660 1383754407 /nfs/dbraw/zinc/75/44/07/1383754407.db2.gz KSTSUPJBSGNZTN-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001167841718 1383756393 /nfs/dbraw/zinc/75/63/93/1383756393.db2.gz PMWQVHGJDHCNIB-LJQANCHMSA-N 2 0 345.531 3.263 20 0 EGADRP C(OC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935723 1383772603 /nfs/dbraw/zinc/77/26/03/1383772603.db2.gz LJQBSRGSPQRUOU-MLBCHFTJSA-N 2 0 344.543 3.245 20 0 EGADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](C3CCCCC3)CC1)C2 ZINC001167983817 1383787315 /nfs/dbraw/zinc/78/73/15/1383787315.db2.gz INJMRQHCJOHUOU-WCRBZPEASA-N 2 0 331.548 3.342 20 0 EGADRP CCOC(=O)[C@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994306 1383790742 /nfs/dbraw/zinc/79/07/42/1383790742.db2.gz BMNNQRBIDOFNJM-HTUJPFKRSA-N 2 0 334.504 3.057 20 0 EGADRP CCOC(=O)C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1C ZINC001168002737 1383792856 /nfs/dbraw/zinc/79/28/56/1383792856.db2.gz WLWADVNIKZOIET-SKPIHXQZSA-N 2 0 348.531 3.303 20 0 EGADRP CC(=O)N1CCC[C@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168008732 1383795731 /nfs/dbraw/zinc/79/57/31/1383795731.db2.gz FXBPFPBJOAOOPA-ZWOKBUDYSA-N 2 0 343.515 3.029 20 0 EGADRP CC(=O)N1CCC[C@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168008719 1383795772 /nfs/dbraw/zinc/79/57/72/1383795772.db2.gz FXBPFPBJOAOOPA-HLIPFELVSA-N 2 0 343.515 3.029 20 0 EGADRP CCOC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013704 1383797057 /nfs/dbraw/zinc/79/70/57/1383797057.db2.gz INHRTOFXXJPIDI-VXIBKDFQSA-N 2 0 332.488 3.359 20 0 EGADRP COC(=O)C1CC(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168024255 1383799092 /nfs/dbraw/zinc/79/90/92/1383799092.db2.gz CVPWSZCPFMMLLQ-XYCLOBBJSA-N 2 0 344.499 3.217 20 0 EGADRP CCOC(=O)[C@H](C)C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168029669 1383800395 /nfs/dbraw/zinc/80/03/95/1383800395.db2.gz UMLPZAWVPKLRTD-BRWVUGGUSA-N 2 0 332.488 3.217 20 0 EGADRP C[C@H]1CC([N@H+](C)CCC2OCCO2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065878 1383808816 /nfs/dbraw/zinc/80/88/16/1383808816.db2.gz YSJWLVOCZDLHGW-IRXDYDNUSA-N 2 0 332.488 3.123 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001168229962 1383849916 /nfs/dbraw/zinc/84/99/16/1383849916.db2.gz DVWPMLSGSLWSAZ-GHTZIAJQSA-N 2 0 336.479 3.274 20 0 EGADRP CC(C)[C@](O)(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC001168265981 1383857193 /nfs/dbraw/zinc/85/71/93/1383857193.db2.gz ZEQDOVCRPHNVHE-STZQEDGTSA-N 2 0 342.527 3.479 20 0 EGADRP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001168278008 1383860831 /nfs/dbraw/zinc/86/08/31/1383860831.db2.gz ASAYOONMKKIDGI-BHIFYINESA-N 2 0 348.490 3.226 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168297560 1383866471 /nfs/dbraw/zinc/86/64/71/1383866471.db2.gz CQUARZIWMVOIQQ-RJYAGPCLSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2(c3ccccc3C(F)(F)F)COC2)CC1 ZINC001168298186 1383866662 /nfs/dbraw/zinc/86/66/62/1383866662.db2.gz CYYWQPIDSOSBFE-UHFFFAOYSA-N 2 0 342.405 3.393 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168301760 1383867704 /nfs/dbraw/zinc/86/77/04/1383867704.db2.gz CKEQOTOJATUOCY-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)CC1 ZINC001168306041 1383868406 /nfs/dbraw/zinc/86/84/06/1383868406.db2.gz YFORHTUWEIMSCW-UHFFFAOYSA-N 2 0 327.513 3.142 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H](Cc2ccccc2)CN2CCCC2)CC1 ZINC001168303964 1383868595 /nfs/dbraw/zinc/86/85/95/1383868595.db2.gz HQMAXTHHBNRMFC-KBWCOIMZSA-N 2 0 329.532 3.156 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)CC1 ZINC001168306294 1383869079 /nfs/dbraw/zinc/86/90/79/1383869079.db2.gz VLIFTVXSHWWHLG-UHFFFAOYSA-N 3 0 333.495 3.034 20 0 EGADRP C[NH+](C)C1CCC([N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)CC1 ZINC001168323793 1383873229 /nfs/dbraw/zinc/87/32/29/1383873229.db2.gz CPUFJYIDUDPKRR-HAMDTZRPSA-N 2 0 327.516 3.066 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001168327319 1383874697 /nfs/dbraw/zinc/87/46/97/1383874697.db2.gz JLRSARDCLBCUHE-UHFFFAOYSA-N 2 0 328.500 3.423 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335658 1383876087 /nfs/dbraw/zinc/87/60/87/1383876087.db2.gz OLFRZISAHPNMOX-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335780 1383876253 /nfs/dbraw/zinc/87/62/53/1383876253.db2.gz STJCPSXVIDBJMM-IBGZPJMESA-N 2 0 349.563 3.339 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001168334125 1383876347 /nfs/dbraw/zinc/87/63/47/1383876347.db2.gz LMMLNYYYCYVZBU-GQGLESIBSA-N 2 0 333.907 3.476 20 0 EGADRP COc1ccc2c(c1)SC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168372472 1383887648 /nfs/dbraw/zinc/88/76/48/1383887648.db2.gz YKUHWIUJPSELQH-KRWDZBQOSA-N 2 0 332.513 3.176 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001168434594 1383905349 /nfs/dbraw/zinc/90/53/49/1383905349.db2.gz QAEDPOPIPIVYAP-KRWDZBQOSA-N 2 0 339.483 3.219 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001168456877 1383910817 /nfs/dbraw/zinc/91/08/17/1383910817.db2.gz YQVWAFDOGLSGEE-QGZVFWFLSA-N 2 0 341.474 3.298 20 0 EGADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC[NH+](C)C1 ZINC001307487761 1383996930 /nfs/dbraw/zinc/99/69/30/1383996930.db2.gz CDYFCCPNPNFPQR-NRFANRHFSA-N 3 0 329.532 3.446 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001168806217 1384013739 /nfs/dbraw/zinc/01/37/39/1384013739.db2.gz KFNIBZWXQSSQDA-MAUKXSAKSA-N 2 0 347.503 3.236 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001168837651 1384027812 /nfs/dbraw/zinc/02/78/12/1384027812.db2.gz CIZDLEJQUBCJFD-RDHHWEPZSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001168840589 1384029150 /nfs/dbraw/zinc/02/91/50/1384029150.db2.gz VFLAGCQVNMNIMS-TWMKSMIVSA-N 2 0 339.524 3.093 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169069592 1384103175 /nfs/dbraw/zinc/10/31/75/1384103175.db2.gz IOIYRIRMGKBWTI-IBGZPJMESA-N 2 0 346.515 3.390 20 0 EGADRP COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091739 1384105268 /nfs/dbraw/zinc/10/52/68/1384105268.db2.gz USUMMJDDLPIJPJ-QMCVQRASSA-N 2 0 327.472 3.337 20 0 EGADRP Cc1ccc(F)cc1CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169109128 1384108395 /nfs/dbraw/zinc/10/83/95/1384108395.db2.gz HUEXHKFTWZDAHU-WKCHPHFGSA-N 2 0 345.506 3.313 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(Br)s1)C2 ZINC001169118336 1384109384 /nfs/dbraw/zinc/10/93/84/1384109384.db2.gz HPVJHTATRSYITP-ZSBIGDGJSA-N 2 0 329.307 3.268 20 0 EGADRP COc1ccccc1CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC001169109580 1384108643 /nfs/dbraw/zinc/10/86/43/1384108643.db2.gz DVPXJHUKQDUYGM-REPLKXPHSA-N 2 0 344.499 3.002 20 0 EGADRP COc1cccc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169139305 1384112280 /nfs/dbraw/zinc/11/22/80/1384112280.db2.gz AZYSUIODSJNHIX-CLWJZODNSA-N 2 0 330.472 3.164 20 0 EGADRP COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169139307 1384112545 /nfs/dbraw/zinc/11/25/45/1384112545.db2.gz AZYSUIODSJNHIX-NHAYFPRASA-N 2 0 330.472 3.164 20 0 EGADRP CC1(C)C[C@H](Nc2ccc(CN3CC[NH2+]CC3)cc2)C[C@](C)(C[NH3+])C1 ZINC001169141154 1384113074 /nfs/dbraw/zinc/11/30/74/1384113074.db2.gz AOXVQBDOVAZBMC-FPOVZHCZSA-N 2 0 344.547 3.047 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001169160399 1384117668 /nfs/dbraw/zinc/11/76/68/1384117668.db2.gz DMYXKBKRJRJQJK-QEOTZNIISA-N 2 0 331.891 3.228 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(Cc3ccccc3OC)CCOCC2)CC1 ZINC001169241258 1384126609 /nfs/dbraw/zinc/12/66/09/1384126609.db2.gz RMIZSLLGSJLOMG-UHFFFAOYSA-N 2 0 346.515 3.108 20 0 EGADRP CSc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC001308488044 1384128550 /nfs/dbraw/zinc/12/85/50/1384128550.db2.gz PYUCWQBQMQHWBN-UHFFFAOYSA-N 2 0 328.485 3.167 20 0 EGADRP CC[NH+]1CCC(N2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169262376 1384129104 /nfs/dbraw/zinc/12/91/04/1384129104.db2.gz ZUUNDVPVLWMHKJ-QFIPXVFZSA-N 2 0 341.543 3.459 20 0 EGADRP CC[NH+]1CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130412 /nfs/dbraw/zinc/13/04/12/1384130412.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 2 0 341.543 3.315 20 0 EGADRP CC(=O)N1CCC[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169595884 1384163375 /nfs/dbraw/zinc/16/33/75/1384163375.db2.gz IRNQNFJJXPQBDK-UFYCRDLUSA-N 2 0 335.536 3.150 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729714 1384179863 /nfs/dbraw/zinc/17/98/63/1384179863.db2.gz UYRFALPFLFMYTN-UYAOXDASSA-N 2 0 343.515 3.145 20 0 EGADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169902456 1384196486 /nfs/dbraw/zinc/19/64/86/1384196486.db2.gz YKTWQPIPONZHOR-LJQANCHMSA-N 2 0 330.472 3.058 20 0 EGADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169921696 1384198846 /nfs/dbraw/zinc/19/88/46/1384198846.db2.gz AOJTZOAVGVTYGL-LJQANCHMSA-N 2 0 336.520 3.306 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CCC2=CCCCC2)CC1 ZINC001169948175 1384201909 /nfs/dbraw/zinc/20/19/09/1384201909.db2.gz NDDGYYHLHXJGSP-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@@H]1CC([N@H+](C)C[C@@H](C)C[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170476651 1384326884 /nfs/dbraw/zinc/32/68/84/1384326884.db2.gz ZGJPAVJPMWEPBQ-ARFHVFGLSA-N 2 0 341.540 3.470 20 0 EGADRP CCCCCC[C@@H](CC)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001170601820 1384347879 /nfs/dbraw/zinc/34/78/79/1384347879.db2.gz TZYWZDVEOKEHCI-GOSISDBHSA-N 2 0 337.552 3.397 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001170863215 1384400707 /nfs/dbraw/zinc/40/07/07/1384400707.db2.gz TZVDXXNLAGFMOK-NLWGTHIKSA-N 2 0 345.531 3.100 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862903 1384400778 /nfs/dbraw/zinc/40/07/78/1384400778.db2.gz PYXMOLVBFXDEGX-RCCFBDPRSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861338 1384400793 /nfs/dbraw/zinc/40/07/93/1384400793.db2.gz CQJVBUQMOMIMRJ-GVDBMIGSSA-N 2 0 325.541 3.027 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863609 1384400803 /nfs/dbraw/zinc/40/08/03/1384400803.db2.gz WHQNXNPKFBWOMO-WMYYGJRPSA-N 2 0 337.552 3.338 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]CCC(C)(C)C)c1ccccc1 ZINC001170867529 1384401633 /nfs/dbraw/zinc/40/16/33/1384401633.db2.gz JRCRYKKOQHCICT-GOSISDBHSA-N 2 0 333.520 3.212 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170872627 1384402263 /nfs/dbraw/zinc/40/22/63/1384402263.db2.gz YHNVPLJMSKWWDG-OKZBNKHCSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170896971 1384407405 /nfs/dbraw/zinc/40/74/05/1384407405.db2.gz IOFZTBUEDBSSHR-CQSZACIVSA-N 2 0 327.457 3.102 20 0 EGADRP Fc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC001170977684 1384422238 /nfs/dbraw/zinc/42/22/38/1384422238.db2.gz ZHDHXVHXNWVSFA-LJQANCHMSA-N 2 0 346.490 3.164 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171068041 1384440615 /nfs/dbraw/zinc/44/06/15/1384440615.db2.gz AJKSBUCYGQBNLF-DLBZAZTESA-N 2 0 349.510 3.071 20 0 EGADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171085344 1384443148 /nfs/dbraw/zinc/44/31/48/1384443148.db2.gz HCQPSRXVZAJLQQ-GUTXKFCHSA-N 2 0 325.283 3.344 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171118069 1384449192 /nfs/dbraw/zinc/44/91/92/1384449192.db2.gz CFOCQEHSKCVMNO-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171162584 1384458476 /nfs/dbraw/zinc/45/84/76/1384458476.db2.gz YTNCBNHGPWRRMK-OALUTQOASA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001171238602 1384476954 /nfs/dbraw/zinc/47/69/54/1384476954.db2.gz WJNRUSZMAWYVGY-MJGOQNOKSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248412 1384478384 /nfs/dbraw/zinc/47/83/84/1384478384.db2.gz UOZSGXNTJRKUDT-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261170 1384481351 /nfs/dbraw/zinc/48/13/51/1384481351.db2.gz QWHJBXHYBZJICT-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261169 1384481640 /nfs/dbraw/zinc/48/16/40/1384481640.db2.gz QWHJBXHYBZJICT-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP c1[nH]c2ccc(NC[C@@H]3CCCC[NH2+]3)cc2c1CC[NH+]1CCCC1 ZINC001171335608 1384496600 /nfs/dbraw/zinc/49/66/00/1384496600.db2.gz ZCFDCVTUHOLIOC-SFHVURJKSA-N 2 0 326.488 3.360 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001316636620 1384497790 /nfs/dbraw/zinc/49/77/90/1384497790.db2.gz PIWPTPRRPFXOQK-BHIYHBOVSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171410173 1384514987 /nfs/dbraw/zinc/51/49/87/1384514987.db2.gz TYFQHEBYISAODA-SFHVURJKSA-N 2 0 342.458 3.413 20 0 EGADRP Fc1cccc2c1CC[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001171411231 1384515769 /nfs/dbraw/zinc/51/57/69/1384515769.db2.gz GTZZKOPHJMCGNJ-KRWDZBQOSA-N 2 0 325.431 3.337 20 0 EGADRP Fc1cccc2c1CC[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001171411233 1384515785 /nfs/dbraw/zinc/51/57/85/1384515785.db2.gz GTZZKOPHJMCGNJ-QGZVFWFLSA-N 2 0 325.431 3.337 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171414816 1384517004 /nfs/dbraw/zinc/51/70/04/1384517004.db2.gz WKGBDBGDNAGLLK-LNLFQRSKSA-N 2 0 346.490 3.434 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001171499721 1384542768 /nfs/dbraw/zinc/54/27/68/1384542768.db2.gz GGSALMOZIFWKGM-IEBWSBKVSA-N 2 0 333.520 3.100 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001171501003 1384543068 /nfs/dbraw/zinc/54/30/68/1384543068.db2.gz PGSWTZFCVMKONX-UYAOXDASSA-N 2 0 347.547 3.408 20 0 EGADRP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CCCC[NH+]1CCCC1)CC2 ZINC001171507177 1384545301 /nfs/dbraw/zinc/54/53/01/1384545301.db2.gz KYXZGJQRKBVYMR-AWEZNQCLSA-N 2 0 326.406 3.427 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)C2 ZINC001171557494 1384561352 /nfs/dbraw/zinc/56/13/52/1384561352.db2.gz UBQGJYPLLAXKDZ-SJLPKXTDSA-N 2 0 347.503 3.032 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171570653 1384567053 /nfs/dbraw/zinc/56/70/53/1384567053.db2.gz NEYCKQMBXDAQID-OAQYLSRUSA-N 2 0 343.559 3.202 20 0 EGADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171593653 1384573834 /nfs/dbraw/zinc/57/38/34/1384573834.db2.gz QARSPOIADKIDMC-BZUAXINKSA-N 2 0 341.540 3.327 20 0 EGADRP CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171628880 1384585282 /nfs/dbraw/zinc/58/52/82/1384585282.db2.gz LEGUIANJDMHJJK-INIZCTEOSA-N 2 0 337.552 3.218 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1(C)C ZINC001171631503 1384586165 /nfs/dbraw/zinc/58/61/65/1384586165.db2.gz JXJASNAJMKJJHI-MRXNPFEDSA-N 2 0 336.442 3.417 20 0 EGADRP COC[C@]12CCCO[C@H]1CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637717 1384588390 /nfs/dbraw/zinc/58/83/90/1384588390.db2.gz NDWHWCDFTKNRQQ-FXAWDEMLSA-N 2 0 338.536 3.155 20 0 EGADRP Cc1cccc(O[C@@H]2CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640813 1384590010 /nfs/dbraw/zinc/59/00/10/1384590010.db2.gz JNDHEOOPKYNEIH-QGZVFWFLSA-N 2 0 331.504 3.495 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674617 1384598383 /nfs/dbraw/zinc/59/83/83/1384598383.db2.gz PEPVOPANIPVDNW-PYTPGESOSA-N 2 0 335.536 3.236 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001171725022 1384614850 /nfs/dbraw/zinc/61/48/50/1384614850.db2.gz DJNMSSZWSWIBHT-UHFFFAOYSA-N 2 0 333.520 3.138 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001171731767 1384617383 /nfs/dbraw/zinc/61/73/83/1384617383.db2.gz OXDUGEVEEVVJFH-HNNXBMFYSA-N 2 0 339.911 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001171731768 1384617534 /nfs/dbraw/zinc/61/75/34/1384617534.db2.gz OXDUGEVEEVVJFH-OAHLLOKOSA-N 2 0 339.911 3.229 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171810867 1384645459 /nfs/dbraw/zinc/64/54/59/1384645459.db2.gz COWNMNPOHINPBZ-OAHLLOKOSA-N 2 0 328.460 3.013 20 0 EGADRP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CCCC[NH+]2CCCC2)CC1 ZINC001171865672 1384665419 /nfs/dbraw/zinc/66/54/19/1384665419.db2.gz FHASDTXMFLHBAB-HXUWFJFHSA-N 2 0 343.515 3.147 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001316900123 1384679202 /nfs/dbraw/zinc/67/92/02/1384679202.db2.gz UHWGFILNOCVHCN-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171923210 1384683303 /nfs/dbraw/zinc/68/33/03/1384683303.db2.gz DMJXSZKMEKZVSM-BJUCQYRTSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171923241 1384683460 /nfs/dbraw/zinc/68/34/60/1384683460.db2.gz DXOZDJCILHGXSB-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CC[C@H](C)F)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929162 1384685555 /nfs/dbraw/zinc/68/55/55/1384685555.db2.gz HPAWCHYHNZXATK-DLBZAZTESA-N 2 0 343.531 3.264 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931008 1384686640 /nfs/dbraw/zinc/68/66/40/1384686640.db2.gz REFVHEMUSCSWOX-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP C[NH+](C)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976266 1384700173 /nfs/dbraw/zinc/70/01/73/1384700173.db2.gz JQSXSUGIEYYFMJ-HXUWFJFHSA-N 2 0 329.532 3.456 20 0 EGADRP CC1(C)C[C@H](N2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977491 1384701846 /nfs/dbraw/zinc/70/18/46/1384701846.db2.gz RPXWFMHEZLHNPU-HXUWFJFHSA-N 2 0 327.516 3.210 20 0 EGADRP C[N@H+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988267 1384706310 /nfs/dbraw/zinc/70/63/10/1384706310.db2.gz QOAXPLFTLGXFMO-AQNXPRMDSA-N 2 0 327.516 3.208 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005880 1384709348 /nfs/dbraw/zinc/70/93/48/1384709348.db2.gz RWAIORISQANAPC-IHPCNDPISA-N 2 0 347.547 3.292 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](NCC[NH+]2CCCC2)C3)cc1 ZINC001172064013 1384714874 /nfs/dbraw/zinc/71/48/74/1384714874.db2.gz DEABKOZONPZLDI-MZADTFQBSA-N 2 0 327.516 3.258 20 0 EGADRP c1nn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1C[NH2+]CC2 ZINC001172068741 1384718172 /nfs/dbraw/zinc/71/81/72/1384718172.db2.gz KELIITWTTSSIBO-ACDBMABISA-N 2 0 336.483 3.287 20 0 EGADRP Cn1ccnc1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075618 1384720374 /nfs/dbraw/zinc/72/03/74/1384720374.db2.gz CLKMLDVQPSTNLU-ACDBMABISA-N 2 0 338.499 3.138 20 0 EGADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081772 1384722485 /nfs/dbraw/zinc/72/24/85/1384722485.db2.gz YZMKJWYHWLKMSW-BJWYYQGGSA-N 2 0 339.524 3.366 20 0 EGADRP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C)([NH3+])CC1)C2 ZINC001172093327 1384725449 /nfs/dbraw/zinc/72/54/49/1384725449.db2.gz GZOHEFDCXMBSLA-ZSHCYNCHSA-N 2 0 337.508 3.120 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110677 1384729480 /nfs/dbraw/zinc/72/94/80/1384729480.db2.gz LLUAMPTUJWFHNS-HWHMVJPJSA-N 2 0 328.504 3.173 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109623 1384730036 /nfs/dbraw/zinc/73/00/36/1384730036.db2.gz HXKRPQJJJUDBHD-YXOJAJARSA-N 2 0 342.531 3.169 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)nc1 ZINC001172112091 1384730222 /nfs/dbraw/zinc/73/02/22/1384730222.db2.gz RMGUNOMJQMJVFF-LDLYASANSA-N 2 0 343.515 3.043 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172205427 1384747696 /nfs/dbraw/zinc/74/76/96/1384747696.db2.gz WKDINNZGDJDNIQ-INIZCTEOSA-N 2 0 335.561 3.179 20 0 EGADRP COCCC[NH+]1CCC(n2c3ccccc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001172247027 1384756055 /nfs/dbraw/zinc/75/60/55/1384756055.db2.gz AOTVVWCSYHKFMY-MRXNPFEDSA-N 2 0 341.499 3.131 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172339582 1384773723 /nfs/dbraw/zinc/77/37/23/1384773723.db2.gz PBIAIRNQTVTFSK-RBUKOAKNSA-N 2 0 340.552 3.405 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172339422 1384774237 /nfs/dbraw/zinc/77/42/37/1384774237.db2.gz ULNMXLIXALRZBQ-MSOLQXFVSA-N 2 0 333.520 3.477 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561335 1384812062 /nfs/dbraw/zinc/81/20/62/1384812062.db2.gz PYLVLMXRRKUOLZ-MOPGFXCFSA-N 2 0 332.488 3.140 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001172586288 1384815936 /nfs/dbraw/zinc/81/59/36/1384815936.db2.gz GUAOBOPKJCNSHO-RTBURBONSA-N 2 0 330.472 3.104 20 0 EGADRP CC1(C)CC(N2CCn3cc(C[NH+]4CCCC4)nc3C2)CC(C)(C)O1 ZINC001172656498 1384827392 /nfs/dbraw/zinc/82/73/92/1384827392.db2.gz IWJAPZSDKDWXIH-UHFFFAOYSA-N 2 0 346.519 3.031 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754743 1384844296 /nfs/dbraw/zinc/84/42/96/1384844296.db2.gz YNHUNGVXPYGZAP-LNLFQRSKSA-N 2 0 347.503 3.274 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001172767535 1384847402 /nfs/dbraw/zinc/84/74/02/1384847402.db2.gz HLQMIVOZXKWTJZ-XUVXKRRUSA-N 2 0 344.499 3.220 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001172794727 1384853808 /nfs/dbraw/zinc/85/38/08/1384853808.db2.gz GATMESQDFFATMT-XWSJACJDSA-N 2 0 336.520 3.447 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001172799639 1384854746 /nfs/dbraw/zinc/85/47/46/1384854746.db2.gz QCSBJFMNSQAHSW-DLBZAZTESA-N 2 0 336.520 3.495 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC001172833083 1384861804 /nfs/dbraw/zinc/86/18/04/1384861804.db2.gz WKVOPIZRAXAUGS-OAQYLSRUSA-N 2 0 342.527 3.333 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172960002 1384890449 /nfs/dbraw/zinc/89/04/49/1384890449.db2.gz JKMICOWRYODYFA-PMPSAXMXSA-N 2 0 327.513 3.094 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173065603 1384905817 /nfs/dbraw/zinc/90/58/17/1384905817.db2.gz XARQYUMYDDBSEO-MWDXBVQZSA-N 2 0 339.524 3.237 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173105060 1384915479 /nfs/dbraw/zinc/91/54/79/1384915479.db2.gz OTZSYIKXXQFHRU-CGZBRXJRSA-N 2 0 339.524 3.238 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(NC(=O)CC(C)C)CC2)CC1 ZINC001173112114 1384916979 /nfs/dbraw/zinc/91/69/79/1384916979.db2.gz QOMUOVPSMLBBEH-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP CCN1C(=O)CCC12CC[NH+](C1CCC([NH+](CC)CC)CC1)CC2 ZINC001173111599 1384916982 /nfs/dbraw/zinc/91/69/82/1384916982.db2.gz NZVZYRVGYCWNSQ-UHFFFAOYSA-N 2 0 335.536 3.116 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2Cc3cccc(C(=O)OC)c3C2)CC1 ZINC001173113718 1384917896 /nfs/dbraw/zinc/91/78/96/1384917896.db2.gz CQTZYWBBXDNMNA-UHFFFAOYSA-N 2 0 330.472 3.442 20 0 EGADRP c1nc2c(s1)C[C@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)CC2 ZINC001173136504 1384921293 /nfs/dbraw/zinc/92/12/93/1384921293.db2.gz PWWGORHSJFISMF-DOTOQJQBSA-N 2 0 331.529 3.411 20 0 EGADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2COc3cccc(OC)c3C2)CC1 ZINC001173160211 1384926892 /nfs/dbraw/zinc/92/68/92/1384926892.db2.gz KLHNKFRCQHEZIL-BRWVUGGUSA-N 2 0 332.488 3.241 20 0 EGADRP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001173174810 1384930842 /nfs/dbraw/zinc/93/08/42/1384930842.db2.gz CTKRSTFCUBDQIM-MJUUVYJYSA-N 2 0 328.500 3.398 20 0 EGADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360168 1384964226 /nfs/dbraw/zinc/96/42/26/1384964226.db2.gz HVZOMDUPTDOIMC-ZULIPRJHSA-N 2 0 347.572 3.375 20 0 EGADRP COC(=O)CCCC[C@@H](C)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173443804 1384971090 /nfs/dbraw/zinc/97/10/90/1384971090.db2.gz CVNHCNKGIXGGIS-BHIYHBOVSA-N 2 0 347.503 3.275 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)C1 ZINC001173629530 1384991242 /nfs/dbraw/zinc/99/12/42/1384991242.db2.gz ASXMRFZKOYGZBJ-OALUTQOASA-N 2 0 336.520 3.210 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173669102 1385000473 /nfs/dbraw/zinc/00/04/73/1385000473.db2.gz KMTMLUTZJWOPEG-UHFFFAOYSA-N 2 0 335.458 3.065 20 0 EGADRP CCC[N@H+](CCC[NH3+])C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173673526 1385001150 /nfs/dbraw/zinc/00/11/50/1385001150.db2.gz OBUGZXCTDUDGRM-HUUCEWRRSA-N 2 0 327.513 3.224 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C(C)C)CC2)cc1 ZINC001173716434 1385007856 /nfs/dbraw/zinc/00/78/56/1385007856.db2.gz XZCZEJOJYDREKB-INIZCTEOSA-N 2 0 332.488 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317448346 1385148648 /nfs/dbraw/zinc/14/86/48/1385148648.db2.gz KKSBEDXGSBRHEA-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c(N4CCCC4)c3)cc2)CC1 ZINC001174815516 1385154218 /nfs/dbraw/zinc/15/42/18/1385154218.db2.gz JYANJOCUCLCKQN-UHFFFAOYSA-N 2 0 337.471 3.177 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)C1 ZINC001174880772 1385164252 /nfs/dbraw/zinc/16/42/52/1385164252.db2.gz HEWBUMXLQALGEJ-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905192 1385168380 /nfs/dbraw/zinc/16/83/80/1385168380.db2.gz HFSGHENTEFXBQD-BZSNNMDCSA-N 2 0 343.531 3.121 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001175047746 1385186166 /nfs/dbraw/zinc/18/61/66/1385186166.db2.gz BBOOEZSPPJLKEA-OAHLLOKOSA-N 2 0 339.911 3.056 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175055230 1385187330 /nfs/dbraw/zinc/18/73/30/1385187330.db2.gz FYAYARPYHTVQCA-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175108180 1385195988 /nfs/dbraw/zinc/19/59/88/1385195988.db2.gz RCUMPTPGOJWKLF-UYAOXDASSA-N 2 0 347.547 3.346 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001175108575 1385196246 /nfs/dbraw/zinc/19/62/46/1385196246.db2.gz UASMDZLHJALBPK-DLBZAZTESA-N 2 0 327.557 3.273 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257206 1385231763 /nfs/dbraw/zinc/23/17/63/1385231763.db2.gz WUTGSVWTPJJNDY-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317520620 1385239223 /nfs/dbraw/zinc/23/92/23/1385239223.db2.gz PEFDUSXEBSCKMQ-IEBWSBKVSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295171 1385242147 /nfs/dbraw/zinc/24/21/47/1385242147.db2.gz DCQMNVCGRBHQAJ-ADKAHSJRSA-N 2 0 339.568 3.275 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](CC1CCC(C)(C)CC1)C1CC1)[NH+](C)C ZINC001317557404 1385329125 /nfs/dbraw/zinc/32/91/25/1385329125.db2.gz XQRXIIKTSXVFIX-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175565337 1385333280 /nfs/dbraw/zinc/33/32/80/1385333280.db2.gz JLXWUVYRKACNRI-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175565395 1385333418 /nfs/dbraw/zinc/33/34/18/1385333418.db2.gz KKAUDJSTOZWGPJ-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001175571445 1385334603 /nfs/dbraw/zinc/33/46/03/1385334603.db2.gz BJSMUUWVXIHLLZ-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175731097 1385388503 /nfs/dbraw/zinc/38/85/03/1385388503.db2.gz RYOWLUSTANZACT-QGZVFWFLSA-N 2 0 333.520 3.427 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001175769297 1385399841 /nfs/dbraw/zinc/39/98/41/1385399841.db2.gz PZLRKPFQOQXIQX-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001175786564 1385405848 /nfs/dbraw/zinc/40/58/48/1385405848.db2.gz MATORUUGRLWAGU-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001175905916 1385434769 /nfs/dbraw/zinc/43/47/69/1385434769.db2.gz FIXYCJAPDWCYCS-VQTJNVASSA-N 2 0 333.495 3.379 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176025200 1385464876 /nfs/dbraw/zinc/46/48/76/1385464876.db2.gz ZBZPSRKZFULLJL-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164676 1385500225 /nfs/dbraw/zinc/50/02/25/1385500225.db2.gz DCSPLGQKNUMWKE-QZTJIDSGSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192074 1385507123 /nfs/dbraw/zinc/50/71/23/1385507123.db2.gz DJNLFJUUZIVMMV-INIZCTEOSA-N 2 0 346.519 3.216 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001176268924 1385532634 /nfs/dbraw/zinc/53/26/34/1385532634.db2.gz OIYXNJLPVLVJOF-SFHVURJKSA-N 2 0 327.557 3.419 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176278171 1385536026 /nfs/dbraw/zinc/53/60/26/1385536026.db2.gz IDQJKQXGPXYTOB-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001176280369 1385537710 /nfs/dbraw/zinc/53/77/10/1385537710.db2.gz ZFUXSURMMLKRKN-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001317876540 1385555576 /nfs/dbraw/zinc/55/55/76/1385555576.db2.gz IDDGVIDYZGRZDM-PKOBYXMFSA-N 2 0 339.568 3.179 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317985104 1385599302 /nfs/dbraw/zinc/59/93/02/1385599302.db2.gz MRTSHMWFCBRHRP-OTWHNJEPSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564026 1385626177 /nfs/dbraw/zinc/62/61/77/1385626177.db2.gz KDRUVLFDERBRPT-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001176572964 1385629333 /nfs/dbraw/zinc/62/93/33/1385629333.db2.gz GRJVKKZCHQRLEF-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001176574997 1385630172 /nfs/dbraw/zinc/63/01/72/1385630172.db2.gz XOEPFYBJVQKMOG-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176727856 1385673864 /nfs/dbraw/zinc/67/38/64/1385673864.db2.gz BMWBHLMGCRAWDQ-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176754450 1385684798 /nfs/dbraw/zinc/68/47/98/1385684798.db2.gz VZZXCRKKCMLLTJ-CVEARBPZSA-N 2 0 347.494 3.027 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001176986405 1385764314 /nfs/dbraw/zinc/76/43/14/1385764314.db2.gz NDBSYHBSXKQVSG-KRWDZBQOSA-N 2 0 341.499 3.337 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001176992480 1385766852 /nfs/dbraw/zinc/76/68/52/1385766852.db2.gz RACVFKYDEKMHJI-QARGNGGGSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001176998859 1385769087 /nfs/dbraw/zinc/76/90/87/1385769087.db2.gz IMIUVMGQMDYPJD-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC001177266200 1385889906 /nfs/dbraw/zinc/88/99/06/1385889906.db2.gz CNCWAPKUBUIMHL-GOTSBHOMSA-N 2 0 349.522 3.327 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001318959338 1385897732 /nfs/dbraw/zinc/89/77/32/1385897732.db2.gz ONYATNPJLIGTOE-MKXGPGLRSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)(C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1)[NH+]1CCCCC1 ZINC001318990203 1385913720 /nfs/dbraw/zinc/91/37/20/1385913720.db2.gz HQTKGLDIWLROIX-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001177335766 1385918017 /nfs/dbraw/zinc/91/80/17/1385918017.db2.gz KAIALLIMZMHGJC-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177342000 1385921246 /nfs/dbraw/zinc/92/12/46/1385921246.db2.gz GWZTWYMVKXNWIN-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001177348175 1385923344 /nfs/dbraw/zinc/92/33/44/1385923344.db2.gz BEQYRNMEZNVNJJ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001177360149 1385928775 /nfs/dbraw/zinc/92/87/75/1385928775.db2.gz FJMHOBBVONWJEU-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177402676 1385944033 /nfs/dbraw/zinc/94/40/33/1385944033.db2.gz UYGSUPNCEWFFRW-SFHVURJKSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001177415779 1385948783 /nfs/dbraw/zinc/94/87/83/1385948783.db2.gz LGOBRSHXVFBITN-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1)[NH+](C)C ZINC001177416071 1385949780 /nfs/dbraw/zinc/94/97/80/1385949780.db2.gz TVYCOAJBGBMURQ-GJBHZFNWSA-N 2 0 343.943 3.078 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001177489061 1385976332 /nfs/dbraw/zinc/97/63/32/1385976332.db2.gz SDSIFSFDUJXGOL-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177489020 1385976481 /nfs/dbraw/zinc/97/64/81/1385976481.db2.gz QYLAPKJGNOWLRY-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N(CCC[NH2+]CC[C@@H](C)F)CC1CCCC1 ZINC001177489258 1385976772 /nfs/dbraw/zinc/97/67/72/1385976772.db2.gz XBCKDKKEPLTZTR-QGZVFWFLSA-N 2 0 343.531 3.073 20 0 EGADRP Cc1cc(Cl)ccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC001177561807 1385997260 /nfs/dbraw/zinc/99/72/60/1385997260.db2.gz AQYKACNOLKLIDX-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP CCC[C@H](C[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001177724769 1386028944 /nfs/dbraw/zinc/02/89/44/1386028944.db2.gz LCPLVERRHORYSI-TZIWHRDSSA-N 2 0 331.548 3.434 20 0 EGADRP COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319288991 1386046448 /nfs/dbraw/zinc/04/64/48/1386046448.db2.gz GKQOTTBDQYFROC-KRWDZBQOSA-N 2 0 339.483 3.298 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001178045806 1386115618 /nfs/dbraw/zinc/11/56/18/1386115618.db2.gz WIZRNWYOWGRTJL-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045617 1386115850 /nfs/dbraw/zinc/11/58/50/1386115850.db2.gz PRMXBJYDWLAMKC-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC001178369992 1386199243 /nfs/dbraw/zinc/19/92/43/1386199243.db2.gz SIGLJIMJELRGQP-GOSISDBHSA-N 2 0 327.472 3.305 20 0 EGADRP CC(C)c1nc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cs1 ZINC001178377455 1386201284 /nfs/dbraw/zinc/20/12/84/1386201284.db2.gz LBXHNENRJVMSOH-UHFFFAOYSA-N 2 0 331.489 3.025 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178468222 1386226541 /nfs/dbraw/zinc/22/65/41/1386226541.db2.gz PXYLAURXPAGTAP-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502432 1386237132 /nfs/dbraw/zinc/23/71/32/1386237132.db2.gz QLCXZESQSVUGBP-HXUWFJFHSA-N 2 0 349.563 3.175 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502817 1386237358 /nfs/dbraw/zinc/23/73/58/1386237358.db2.gz YQJNKFCHLAPSCJ-IBGZPJMESA-N 2 0 337.552 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178523340 1386241329 /nfs/dbraw/zinc/24/13/29/1386241329.db2.gz VWQKRNJRMPWOCY-PWBPZBFBSA-N 2 0 337.552 3.339 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178618323 1386263135 /nfs/dbraw/zinc/26/31/35/1386263135.db2.gz WGASPQPYUYGHDI-QGZVFWFLSA-N 2 0 331.520 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)CC ZINC001178633658 1386265403 /nfs/dbraw/zinc/26/54/03/1386265403.db2.gz CPZNPJVBICWNBX-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CCCC1CCC1)C1CCC1 ZINC001178705638 1386285088 /nfs/dbraw/zinc/28/50/88/1386285088.db2.gz XAVXSAMAJPRFML-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178729352 1386291708 /nfs/dbraw/zinc/29/17/08/1386291708.db2.gz VHBKJEBNACILQT-PHWHVTFISA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178732787 1386292873 /nfs/dbraw/zinc/29/28/73/1386292873.db2.gz BSQRHQNWJKUQDP-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178810260 1386313786 /nfs/dbraw/zinc/31/37/86/1386313786.db2.gz AWJSVNMHRLVQAH-LWBCESNNSA-N 2 0 341.927 3.022 20 0 EGADRP O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810261 1386313947 /nfs/dbraw/zinc/31/39/47/1386313947.db2.gz AWJSVNMHRLVQAH-QZKWLWDQSA-N 2 0 341.927 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001178827145 1386319149 /nfs/dbraw/zinc/31/91/49/1386319149.db2.gz FFCPJFJVNGGWER-LJQANCHMSA-N 2 0 349.494 3.076 20 0 EGADRP Cc1n[nH]c(=O)c(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c1C ZINC001319832649 1386324419 /nfs/dbraw/zinc/32/44/19/1386324419.db2.gz RQGOEJSFANYBCA-UHFFFAOYSA-N 2 0 342.487 3.047 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178891388 1386340044 /nfs/dbraw/zinc/34/00/44/1386340044.db2.gz QYHXIROUWSHHMZ-WDSOQIARSA-N 2 0 337.552 3.265 20 0 EGADRP Cc1ccc(C[NH2+][C@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c(C)c1 ZINC001319915319 1386387903 /nfs/dbraw/zinc/38/79/03/1386387903.db2.gz ABFGYYDOQCZREW-HXUWFJFHSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001179079635 1386394548 /nfs/dbraw/zinc/39/45/48/1386394548.db2.gz MREVIPDTNFYYQS-YJBOKZPZSA-N 2 0 342.487 3.353 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001179134177 1386407115 /nfs/dbraw/zinc/40/71/15/1386407115.db2.gz HFYYPBOBFVFBJX-AFMYVXGZSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](F)CC[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179140286 1386409442 /nfs/dbraw/zinc/40/94/42/1386409442.db2.gz XYMVWGMSBGIKSJ-KRWDZBQOSA-N 2 0 343.531 3.265 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH2+][C@H]1CCCc2ccccc21)C(C)C ZINC001319957620 1386418831 /nfs/dbraw/zinc/41/88/31/1386418831.db2.gz QZAVVAPYNJDMTF-PMACEKPBSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212560 1386424596 /nfs/dbraw/zinc/42/45/96/1386424596.db2.gz PJKJWUZMAPKLLC-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C[C@H](C)CC)C1 ZINC001179357848 1386462877 /nfs/dbraw/zinc/46/28/77/1386462877.db2.gz NJNCHZHANVZLMZ-MOPGFXCFSA-N 2 0 339.568 3.421 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179398685 1386475161 /nfs/dbraw/zinc/47/51/61/1386475161.db2.gz MHTURVUZSWJWBH-FHWLQOOXSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C)c(C)c1)C1CC1)[NH+](C)C ZINC001698648948 1406298013 /nfs/dbraw/zinc/29/80/13/1406298013.db2.gz JMKWBUXMJXAVKD-FPOVZHCZSA-N 2 0 345.531 3.018 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC/C=C/c1ccccc1 ZINC001179464117 1386488819 /nfs/dbraw/zinc/48/88/19/1386488819.db2.gz NDCCXDOBJYDUMU-RIYZIHGNSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C)[NH+](CC)CC ZINC001179516427 1386503426 /nfs/dbraw/zinc/50/34/26/1386503426.db2.gz BBBFUNYSMVVSIN-YTQUADARSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001320091620 1386506518 /nfs/dbraw/zinc/50/65/18/1386506518.db2.gz XUNWGDLZHQXCMV-GOSISDBHSA-N 2 0 331.504 3.014 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550560 1386512015 /nfs/dbraw/zinc/51/20/15/1386512015.db2.gz ZUUUEQMXMDWHLG-WBNOOXNUSA-N 2 0 337.552 3.290 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](C)CC)[NH+](CC)CC ZINC001179564922 1386515822 /nfs/dbraw/zinc/51/58/22/1386515822.db2.gz KAXLRPWALLRFDH-ZWKOTPCHSA-N 2 0 327.557 3.419 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001179749095 1386571266 /nfs/dbraw/zinc/57/12/66/1386571266.db2.gz XCCZFBIWJPLTLK-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179776851 1386582090 /nfs/dbraw/zinc/58/20/90/1386582090.db2.gz KNHNCIYVANCGSV-INIZCTEOSA-N 2 0 348.535 3.291 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788149 1386586030 /nfs/dbraw/zinc/58/60/30/1386586030.db2.gz OLRQNURTHDTPOQ-PMACEKPBSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001179831337 1386599596 /nfs/dbraw/zinc/59/95/96/1386599596.db2.gz APLSOQIRBKNOKS-UHFFFAOYSA-N 2 0 333.520 3.284 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001179861000 1386609675 /nfs/dbraw/zinc/60/96/75/1386609675.db2.gz GZYVJMKSLMWSPU-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001179967894 1386652005 /nfs/dbraw/zinc/65/20/05/1386652005.db2.gz KNHNPGAKVGJGNK-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001179978948 1386656881 /nfs/dbraw/zinc/65/68/81/1386656881.db2.gz NIWJCTLOXBVCDZ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@@H]1C ZINC001179979449 1386656917 /nfs/dbraw/zinc/65/69/17/1386656917.db2.gz YVKOWKXRJMIKRR-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001180060699 1386683845 /nfs/dbraw/zinc/68/38/45/1386683845.db2.gz LWIWNBIRLDQURB-LJQANCHMSA-N 2 0 335.536 3.095 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C1 ZINC001180065412 1386685223 /nfs/dbraw/zinc/68/52/23/1386685223.db2.gz QNCKEJHALCVWMF-RIDHJDLKSA-N 2 0 343.943 3.126 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001180117779 1386701484 /nfs/dbraw/zinc/70/14/84/1386701484.db2.gz BTGGULSXBRHAGV-UHFFFAOYSA-N 2 0 347.547 3.493 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180211716 1386734848 /nfs/dbraw/zinc/73/48/48/1386734848.db2.gz OSQDRYJMGXLBJG-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001180264804 1386750435 /nfs/dbraw/zinc/75/04/35/1386750435.db2.gz LADCSCDUFQPWKL-QGZVFWFLSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180272692 1386751038 /nfs/dbraw/zinc/75/10/38/1386751038.db2.gz NAGWYFFUOGRXLM-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001180356583 1386772924 /nfs/dbraw/zinc/77/29/24/1386772924.db2.gz DBHMCXOLHVZLHM-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001180366067 1386776206 /nfs/dbraw/zinc/77/62/06/1386776206.db2.gz XIDMJOAFCIWQIE-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001180389910 1386782088 /nfs/dbraw/zinc/78/20/88/1386782088.db2.gz GBCYWUSFIGFTCU-HXUWFJFHSA-N 2 0 343.515 3.310 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1nc(Br)ccc1F ZINC001321133868 1386818745 /nfs/dbraw/zinc/81/87/45/1386818745.db2.gz UFOVEYPSSOTHSJ-NSHDSACASA-N 2 0 344.272 3.366 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)CCc1cccc(N(C)C)c1 ZINC001321179635 1386832098 /nfs/dbraw/zinc/83/20/98/1386832098.db2.gz HRYXLCZRMAXMGS-UHFFFAOYSA-N 2 0 349.438 3.213 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC001321267835 1386861470 /nfs/dbraw/zinc/86/14/70/1386861470.db2.gz KYPBORRPALYNON-MJGOQNOKSA-N 2 0 333.495 3.446 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCCCC1 ZINC001180898947 1386894429 /nfs/dbraw/zinc/89/44/29/1386894429.db2.gz HLSOIZQQTMVYED-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(CC12CCC[NH+]1CCC2)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001181108177 1386937305 /nfs/dbraw/zinc/93/73/05/1386937305.db2.gz HGDLYBOQKNCAOH-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001322088749 1387049611 /nfs/dbraw/zinc/04/96/11/1387049611.db2.gz NKCNSCNIGAWUSP-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001181869140 1387066920 /nfs/dbraw/zinc/06/69/20/1387066920.db2.gz RWHDXGXZYZDGIU-UHFFFAOYSA-N 2 0 325.541 3.266 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001182001973 1387092336 /nfs/dbraw/zinc/09/23/36/1387092336.db2.gz XREUSPHEEAPZMH-SVFBPWRDSA-N 2 0 349.563 3.147 20 0 EGADRP C[NH+](C)CCCCCNC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182041154 1387098285 /nfs/dbraw/zinc/09/82/85/1387098285.db2.gz RGVVCLYOGAHWMH-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614182 1387196569 /nfs/dbraw/zinc/19/65/69/1387196569.db2.gz FJPVQASJUDSSDB-BWPKTWLJSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cccc(OC(F)F)c1 ZINC001322851040 1387246284 /nfs/dbraw/zinc/24/62/84/1387246284.db2.gz UVLWYOMBOXNANW-UHFFFAOYSA-N 2 0 344.321 3.429 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001698715154 1406358296 /nfs/dbraw/zinc/35/82/96/1406358296.db2.gz RUOMLLYQLIDSPE-MXVIHJGJSA-N 2 0 349.563 3.460 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1cccc2ccccc21 ZINC001329590817 1389170159 /nfs/dbraw/zinc/17/01/59/1389170159.db2.gz YOSLYCDSWSQZID-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CCCC[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001329886033 1389245173 /nfs/dbraw/zinc/24/51/73/1389245173.db2.gz BKXLXMWGNBMRNE-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC001329937269 1389265884 /nfs/dbraw/zinc/26/58/84/1389265884.db2.gz NQIHBNZGONGNMU-UXHICEINSA-N 2 0 345.531 3.134 20 0 EGADRP O=C(CCC1CC[NH2+]CC1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001330992639 1389589683 /nfs/dbraw/zinc/58/96/83/1389589683.db2.gz YJLQWPKQWOCVSZ-UHFFFAOYSA-N 2 0 329.488 3.391 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001338287594 1389619373 /nfs/dbraw/zinc/61/93/73/1389619373.db2.gz FMIZXFOKOLMQPL-GOSISDBHSA-N 2 0 331.504 3.017 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001698746037 1406397521 /nfs/dbraw/zinc/39/75/21/1406397521.db2.gz IIWDVTZZTGEGJX-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CC1CCCCC1 ZINC001331642924 1389840916 /nfs/dbraw/zinc/84/09/16/1389840916.db2.gz FHQIZMMDALNOIP-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)c1 ZINC001339845234 1390169244 /nfs/dbraw/zinc/16/92/44/1390169244.db2.gz JSVKPCDFTNTAJQ-IBGZPJMESA-N 2 0 341.430 3.278 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC001340876700 1390391562 /nfs/dbraw/zinc/39/15/62/1390391562.db2.gz PSBVUAUGKAWENG-ZWKOTPCHSA-N 2 0 339.439 3.332 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C1([NH2+]C2CC2)CCC1 ZINC001333753029 1390392990 /nfs/dbraw/zinc/39/29/90/1390392990.db2.gz URMVNPNAJKZTFJ-UHFFFAOYSA-N 2 0 327.472 3.286 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001334356273 1390524096 /nfs/dbraw/zinc/52/40/96/1390524096.db2.gz KTISPBVMORFCCA-LZWOXQAQSA-N 2 0 336.451 3.005 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c2c(n1)CCCC2 ZINC001335583162 1390706140 /nfs/dbraw/zinc/70/61/40/1390706140.db2.gz PTRWGLAEBJGDFV-YQVWRLOYSA-N 2 0 327.516 3.431 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cn1 ZINC001343334275 1390707842 /nfs/dbraw/zinc/70/78/42/1390707842.db2.gz RTLBMUVLGIHGEO-FHWLQOOXSA-N 2 0 330.520 3.088 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001344448877 1390791892 /nfs/dbraw/zinc/79/18/92/1390791892.db2.gz LPDPADQITCPEPL-KRWDZBQOSA-N 2 0 331.504 3.368 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)sc2C1 ZINC001345956191 1390897155 /nfs/dbraw/zinc/89/71/55/1390897155.db2.gz MTAOSCMZSZRUNE-PMPSAXMXSA-N 2 0 333.545 3.480 20 0 EGADRP Cc1c(C(=O)NCC2([NH2+]C/C=C\Cl)CCCC2)ccc2c[nH+]cn21 ZINC001698798452 1406470140 /nfs/dbraw/zinc/47/01/40/1406470140.db2.gz WLASAMAGONKTMJ-WTKPLQERSA-N 2 0 346.862 3.027 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC ZINC001349326353 1391321662 /nfs/dbraw/zinc/32/16/62/1391321662.db2.gz XCIUWDUNFKFALM-UHFFFAOYSA-N 2 0 332.488 3.197 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@H]2C1 ZINC001352113159 1391760855 /nfs/dbraw/zinc/76/08/55/1391760855.db2.gz QAOGMNMSKOFNBU-IJLUTSLNSA-N 2 0 333.423 3.324 20 0 EGADRP Cn1c2ccccc2n(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001352759886 1391844169 /nfs/dbraw/zinc/84/41/69/1391844169.db2.gz HJCLLSWIGAYHIK-HRCADAONSA-N 2 0 344.528 3.329 20 0 EGADRP C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001698838020 1406533027 /nfs/dbraw/zinc/53/30/27/1406533027.db2.gz IYVGQEASFSIGDR-ADKAHSJRSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001479895547 1392464168 /nfs/dbraw/zinc/46/41/68/1392464168.db2.gz LUCGRESOGUREMJ-KXBFYZLASA-N 2 0 349.494 3.150 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCCC(C)(C)C)CC2)[NH+](C)C ZINC001479985575 1392517891 /nfs/dbraw/zinc/51/78/91/1392517891.db2.gz RLRJIWRXBWIIBT-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001480102928 1392586128 /nfs/dbraw/zinc/58/61/28/1392586128.db2.gz CHBWJABVCLRAPO-KDURUIRLSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC001480672914 1392846586 /nfs/dbraw/zinc/84/65/86/1392846586.db2.gz PKNPDNNNVHSHGP-SFHVURJKSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001480740236 1392906284 /nfs/dbraw/zinc/90/62/84/1392906284.db2.gz XARGVAAVNJNCPU-ICSRJNTNSA-N 2 0 345.531 3.321 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001480873441 1392992196 /nfs/dbraw/zinc/99/21/96/1392992196.db2.gz DXPJTENKRQAYHD-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1cccc(C[N@H+](CC)CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001480974767 1393059507 /nfs/dbraw/zinc/05/95/07/1393059507.db2.gz VUXAMYYWBTUTJQ-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001480975711 1393060460 /nfs/dbraw/zinc/06/04/60/1393060460.db2.gz ZRUUTPBQRBERQQ-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[NH2+]CC2CC2)cc1 ZINC001481357705 1393178934 /nfs/dbraw/zinc/17/89/34/1393178934.db2.gz IRTZKVAAKRSBNF-VQTJNVASSA-N 2 0 343.515 3.061 20 0 EGADRP CCC(CC)C[N@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001481515676 1394363817 /nfs/dbraw/zinc/36/38/17/1394363817.db2.gz YQRPNQWFKDEKKK-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001491253318 1394492356 /nfs/dbraw/zinc/49/23/56/1394492356.db2.gz NDWDEDUPVZZIMQ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+]C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CCCC[C@@H]1C ZINC001481965283 1394627201 /nfs/dbraw/zinc/62/72/01/1394627201.db2.gz WKLNTJVAXFSJCA-ICSRJNTNSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001482035347 1394696577 /nfs/dbraw/zinc/69/65/77/1394696577.db2.gz XJKYVHYAYSFTNY-YLJYHZDGSA-N 2 0 345.531 3.026 20 0 EGADRP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC001698970398 1406733122 /nfs/dbraw/zinc/73/31/22/1406733122.db2.gz IHDULZQGGSSUEY-PXNSSMCTSA-N 2 0 345.531 3.210 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001483943142 1395155185 /nfs/dbraw/zinc/15/51/85/1395155185.db2.gz UHCXMSNIUMZAAD-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001483974879 1395170536 /nfs/dbraw/zinc/17/05/36/1395170536.db2.gz VCHGVRALVLWHJF-KRWDZBQOSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](Cc2cccc(C)c2)C1 ZINC001484175197 1395321565 /nfs/dbraw/zinc/32/15/65/1395321565.db2.gz UKIAFZLAPPEVNM-NRFANRHFSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001484549373 1395430763 /nfs/dbraw/zinc/43/07/63/1395430763.db2.gz JXXMZBPVWOLYFP-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCC3CCCCCC3)CCC2)CC1 ZINC001484649807 1395461707 /nfs/dbraw/zinc/46/17/07/1395461707.db2.gz WFHFNSBPEKYSKN-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1)[NH+](C)C ZINC001484757855 1395509806 /nfs/dbraw/zinc/50/98/06/1395509806.db2.gz WERWRONCLRBWKB-LJQANCHMSA-N 2 0 339.568 3.323 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001484762022 1395515312 /nfs/dbraw/zinc/51/53/12/1395515312.db2.gz NJOWNGPHYAVHNQ-LJQANCHMSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1C[NH+](CCCC2CCCC2)C1 ZINC001485529173 1395998796 /nfs/dbraw/zinc/99/87/96/1395998796.db2.gz BOELSDXVSDKRAD-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001698996869 1406796625 /nfs/dbraw/zinc/79/66/25/1406796625.db2.gz FZNYWEWPODYBGZ-SFHVURJKSA-N 2 0 339.568 3.467 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH+](C)CCCC(C)(C)C)CC2)C1 ZINC001485763450 1396139603 /nfs/dbraw/zinc/13/96/03/1396139603.db2.gz OIUWQNAEBVMXNB-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C/C=C\c1ccccc1 ZINC001502968243 1396235781 /nfs/dbraw/zinc/23/57/81/1396235781.db2.gz LHDHDBCCSAXRBW-GDSCYZHGSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C/C=C\c1ccccc1 ZINC001502968246 1396235890 /nfs/dbraw/zinc/23/58/90/1396235890.db2.gz LHDHDBCCSAXRBW-PJKWBFRZSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001503764159 1396268066 /nfs/dbraw/zinc/26/80/66/1396268066.db2.gz ORTMMZPGZUCBPK-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001505410327 1396294107 /nfs/dbraw/zinc/29/41/07/1396294107.db2.gz FNQMGAQWMBMIMT-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001492166310 1396311338 /nfs/dbraw/zinc/31/13/38/1396311338.db2.gz LRQZKPHTHHKYKM-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1)[NH+](C)C ZINC001495203355 1396523838 /nfs/dbraw/zinc/52/38/38/1396523838.db2.gz JZEDOSFYSJEMSI-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1c(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001689903672 1404197918 /nfs/dbraw/zinc/19/79/18/1404197918.db2.gz YNEGBUFTBQHODJ-KXBFYZLASA-N 2 0 342.487 3.272 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001690029595 1404267890 /nfs/dbraw/zinc/26/78/90/1404267890.db2.gz IIUBHFDMENDUDA-ZBTAVZRMSA-N 2 0 337.552 3.242 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1)C1CCC1 ZINC001690448165 1404572306 /nfs/dbraw/zinc/57/23/06/1404572306.db2.gz FSIOLZVZSVLXDB-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001690469965 1404595278 /nfs/dbraw/zinc/59/52/78/1404595278.db2.gz KGIIGFCJYPYTOV-MRXNPFEDSA-N 2 0 337.533 3.050 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001690487106 1404601652 /nfs/dbraw/zinc/60/16/52/1404601652.db2.gz FHAZCSRFQKUEFR-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690501381 1404614297 /nfs/dbraw/zinc/61/42/97/1404614297.db2.gz KKNCJUIADVLAAZ-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP C[N@H+](CCC(=O)NC1CCC([NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001690537494 1404625893 /nfs/dbraw/zinc/62/58/93/1404625893.db2.gz VFAUIFQZHMSKFB-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001690575502 1404637861 /nfs/dbraw/zinc/63/78/61/1404637861.db2.gz VKYAGOKGOJNACG-IAGOWNOFSA-N 2 0 331.504 3.106 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001690786999 1404733832 /nfs/dbraw/zinc/73/38/32/1404733832.db2.gz DNTORLOILRWUQG-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001690872418 1404788081 /nfs/dbraw/zinc/78/80/81/1404788081.db2.gz XLBUELCYYLHONL-IAGOWNOFSA-N 2 0 349.494 3.103 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1CCCC(C)(C)C)CC(C)(C)C ZINC001691097349 1405034656 /nfs/dbraw/zinc/03/46/56/1405034656.db2.gz KCXFHAOGVATQKG-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691147346 1405080645 /nfs/dbraw/zinc/08/06/45/1405080645.db2.gz UTRIXINEPGOWCP-VJANTYMQSA-N 2 0 337.552 3.026 20 0 EGADRP O=C(NCC[N@H+](CC1CCCC1)C1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001691212844 1405152315 /nfs/dbraw/zinc/15/23/15/1405152315.db2.gz AYKAWVNDHMZMJA-FQEVSTJZSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001691222314 1405163030 /nfs/dbraw/zinc/16/30/30/1405163030.db2.gz YYOCWWZYCDSHCE-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001691758026 1405474817 /nfs/dbraw/zinc/47/48/17/1405474817.db2.gz QBVPAWBSXZHSKB-BGYRXZFFSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CCC1 ZINC001691887816 1405610880 /nfs/dbraw/zinc/61/08/80/1405610880.db2.gz JZFCEWIRVMWWGP-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001732059004 1428306127 /nfs/dbraw/zinc/30/61/27/1428306127.db2.gz KYBYUWWDWRVSEP-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001732405007 1428568567 /nfs/dbraw/zinc/56/85/67/1428568567.db2.gz FKDWLQZSPKUEDF-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001732442107 1428582721 /nfs/dbraw/zinc/58/27/21/1428582721.db2.gz CPGSMIUJVLJBCW-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001699172421 1412551275 /nfs/dbraw/zinc/55/12/75/1412551275.db2.gz DFYWIWMXPHAIBH-PXNSSMCTSA-N 2 0 345.531 3.403 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001699219666 1412584119 /nfs/dbraw/zinc/58/41/19/1412584119.db2.gz FUWPHZKVHJLVBX-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001699679113 1413074097 /nfs/dbraw/zinc/07/40/97/1413074097.db2.gz YVETYLYPTLLQCB-JLYLLQBASA-N 2 0 335.536 3.163 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702065 1413115593 /nfs/dbraw/zinc/11/55/93/1413115593.db2.gz QDLRDDJAUIUDKK-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001699737709 1413149006 /nfs/dbraw/zinc/14/90/06/1413149006.db2.gz JIJCHRANJIXQNL-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)CC[NH+]3CCCCC3)CCC2)cs1 ZINC001700143187 1413565699 /nfs/dbraw/zinc/56/56/99/1413565699.db2.gz OHRAHASIJKMJAV-UHFFFAOYSA-N 2 0 349.544 3.061 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H](C)C1 ZINC001700321078 1413787119 /nfs/dbraw/zinc/78/71/19/1413787119.db2.gz WNOJWBKZJOITKJ-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001700324279 1413792794 /nfs/dbraw/zinc/79/27/94/1413792794.db2.gz IVBWJQIBEGIWCC-AZUAARDMSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001700365309 1413887794 /nfs/dbraw/zinc/88/77/94/1413887794.db2.gz VJAWFBQDPOQQCJ-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001700365310 1413887886 /nfs/dbraw/zinc/88/78/86/1413887886.db2.gz VJAWFBQDPOQQCJ-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CCC[NH2+]C/C=C/Cl)c1ccccc1 ZINC001700704943 1414361642 /nfs/dbraw/zinc/36/16/42/1414361642.db2.gz DKUIRWOBZSLKFN-WJRNRCBFSA-N 2 0 349.906 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C[C@@H]1C ZINC001700852350 1414500368 /nfs/dbraw/zinc/50/03/68/1414500368.db2.gz VQPJYCPUWVFUBZ-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH]cn2)c1 ZINC001732593462 1428822534 /nfs/dbraw/zinc/82/25/34/1428822534.db2.gz ABLWJRUOOCYXFK-DLBZAZTESA-N 2 0 342.487 3.048 20 0 EGADRP CN(CC[N@H+](C)CC1CCCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732595203 1428828438 /nfs/dbraw/zinc/82/84/38/1428828438.db2.gz UMYJUDCMLBRANO-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001733681311 1429889666 /nfs/dbraw/zinc/88/96/66/1429889666.db2.gz CAPBOHPQLREVTD-MRXNPFEDSA-N 2 0 331.504 3.094 20 0 EGADRP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001732701141 1428916486 /nfs/dbraw/zinc/91/64/86/1428916486.db2.gz FRHJBIZEXPSVQT-MAUKXSAKSA-N 2 0 349.494 3.246 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001713060610 1417616543 /nfs/dbraw/zinc/61/65/43/1417616543.db2.gz GSOGKVIAUJGVER-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001713222125 1417806946 /nfs/dbraw/zinc/80/69/46/1417806946.db2.gz XCELZBSPTWVYMO-RBUKOAKNSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001713291748 1417919327 /nfs/dbraw/zinc/91/93/27/1417919327.db2.gz XQMPWIHRABCJBP-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001713361851 1417976210 /nfs/dbraw/zinc/97/62/10/1417976210.db2.gz MIFXPZNBXYNCSG-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713506171 1418228693 /nfs/dbraw/zinc/22/86/93/1418228693.db2.gz PQTIOCYWRGKSBD-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001713701758 1418459518 /nfs/dbraw/zinc/45/95/18/1418459518.db2.gz DIRJMDARDZVUCO-IBGZPJMESA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001713705361 1418465401 /nfs/dbraw/zinc/46/54/01/1418465401.db2.gz WXCLQDTVMPINQV-FQEVSTJZSA-N 2 0 339.483 3.217 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713974057 1418753302 /nfs/dbraw/zinc/75/33/02/1418753302.db2.gz YWDLHKNFVMEYQP-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001714050516 1418849378 /nfs/dbraw/zinc/84/93/78/1418849378.db2.gz YVWSMLBLZCEBBQ-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714442956 1419175024 /nfs/dbraw/zinc/17/50/24/1419175024.db2.gz QZOJFVMTRDPCAU-MJGOQNOKSA-N 2 0 345.531 3.130 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714443294 1419175377 /nfs/dbraw/zinc/17/53/77/1419175377.db2.gz YXCDOESMBJVRMH-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)cc2)C1 ZINC001714455497 1419187950 /nfs/dbraw/zinc/18/79/50/1419187950.db2.gz XEEMWSJHIRUUDH-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001714495023 1419219253 /nfs/dbraw/zinc/21/92/53/1419219253.db2.gz MADQWGMLDHQFAJ-RTBURBONSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1 ZINC001714584175 1419325341 /nfs/dbraw/zinc/32/53/41/1419325341.db2.gz PRUKWOOLULNGTJ-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)[C@@H](C)c1ccccc1C ZINC001714593035 1419341505 /nfs/dbraw/zinc/34/15/05/1419341505.db2.gz CYBKVFFCQKAMKI-IRXDYDNUSA-N 2 0 342.487 3.096 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001714646716 1419422373 /nfs/dbraw/zinc/42/23/73/1419422373.db2.gz LZWHWYAZOIKYKO-ICSRJNTNSA-N 2 0 345.531 3.088 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001714769451 1419500400 /nfs/dbraw/zinc/50/04/00/1419500400.db2.gz BYDGSTAAELHQOW-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001714769454 1419500464 /nfs/dbraw/zinc/50/04/64/1419500464.db2.gz BYDGSTAAELHQOW-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001714921763 1419673956 /nfs/dbraw/zinc/67/39/56/1419673956.db2.gz YDTURIFDNIZWSI-QGZVFWFLSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C)cc1C ZINC001715083119 1419820408 /nfs/dbraw/zinc/82/04/08/1419820408.db2.gz FUTKTHGGAZLDPC-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)C(C)C)CC1 ZINC001715481708 1420160287 /nfs/dbraw/zinc/16/02/87/1420160287.db2.gz QANANBVKFSWMIK-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1)CC1CCCCC1 ZINC001715499077 1420181170 /nfs/dbraw/zinc/18/11/70/1420181170.db2.gz QFIBRSRMNQVHMX-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001715580302 1420260951 /nfs/dbraw/zinc/26/09/51/1420260951.db2.gz XDZDBJWPTMHAJV-VQTJNVASSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H](CC[NH2+][C@H]1CCCc2ccccc21)NC(=O)C[N@H+](C)C1CCC1 ZINC001715655794 1420280530 /nfs/dbraw/zinc/28/05/30/1420280530.db2.gz OLBFPVVPLRFFPB-JXFKEZNVSA-N 2 0 343.515 3.033 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715763820 1420331444 /nfs/dbraw/zinc/33/14/44/1420331444.db2.gz QLMWYCURYCTLCB-LJQANCHMSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001715961721 1420428166 /nfs/dbraw/zinc/42/81/66/1420428166.db2.gz FDKUVHIAWYYMAM-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001716412031 1420642110 /nfs/dbraw/zinc/64/21/10/1420642110.db2.gz JISUYJNZSNUJJZ-MDZRGWNJSA-N 2 0 347.547 3.480 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716437176 1420658482 /nfs/dbraw/zinc/65/84/82/1420658482.db2.gz XYGNJIGTMDHOGM-ROUUACIJSA-N 2 0 345.531 3.415 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC1CC1)C1CCCCCC1 ZINC001733275340 1429438167 /nfs/dbraw/zinc/43/81/67/1429438167.db2.gz GJFXLAVSIWTUEU-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001716767280 1420912571 /nfs/dbraw/zinc/91/25/71/1420912571.db2.gz JUCWBDFLTUHMQG-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001716767282 1420912664 /nfs/dbraw/zinc/91/26/64/1420912664.db2.gz JUCWBDFLTUHMQG-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001716843509 1420970091 /nfs/dbraw/zinc/97/00/91/1420970091.db2.gz OBTHXPWZMIUMOE-UTKZUKDTSA-N 2 0 343.515 3.121 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@]2(C)CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001716849159 1420978151 /nfs/dbraw/zinc/97/81/51/1420978151.db2.gz RUENXVZZZPCQEI-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)CC1 ZINC001717001684 1421071648 /nfs/dbraw/zinc/07/16/48/1421071648.db2.gz CJMGGCRDFAKEHZ-WGSAOQKQSA-N 2 0 349.563 3.031 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCC1 ZINC001717206880 1421177728 /nfs/dbraw/zinc/17/77/28/1421177728.db2.gz SROSEGGHFMBGEX-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)CC1(C)C ZINC001717311720 1421256236 /nfs/dbraw/zinc/25/62/36/1421256236.db2.gz GJUPJXIEFSWUOO-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC001717333640 1421269847 /nfs/dbraw/zinc/26/98/47/1421269847.db2.gz KDBIVZJULCTXIZ-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717341010 1421278792 /nfs/dbraw/zinc/27/87/92/1421278792.db2.gz ARXPUFGEKDQNTL-ICSRJNTNSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479148 1421413487 /nfs/dbraw/zinc/41/34/87/1421413487.db2.gz IJZCXKUXIABXRG-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1F ZINC001717758230 1421621031 /nfs/dbraw/zinc/62/10/31/1421621031.db2.gz VYUAIBKWRDDJPD-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001717806821 1421631860 /nfs/dbraw/zinc/63/18/60/1421631860.db2.gz YHNNRTOQDGNLIS-OXQOHEQNSA-N 2 0 345.531 3.377 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C[C@@H]1C ZINC001717828993 1421642221 /nfs/dbraw/zinc/64/22/21/1421642221.db2.gz ZMBKNEHFJOMFAT-HKUYNNGSSA-N 2 0 345.531 3.231 20 0 EGADRP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@@H]2C)cs1 ZINC001717852719 1421664636 /nfs/dbraw/zinc/66/46/36/1421664636.db2.gz DTUTWBGCNCPGLM-YJBOKZPZSA-N 2 0 349.544 3.010 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2CC)[C@@H]1C ZINC001717860197 1421672470 /nfs/dbraw/zinc/67/24/70/1421672470.db2.gz IERBHYXZMHHZMS-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001733353056 1429533508 /nfs/dbraw/zinc/53/35/08/1429533508.db2.gz YTLWESGUASWXIV-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CC2CCCCC2)C2CCCC2)CC1 ZINC001733384688 1429571477 /nfs/dbraw/zinc/57/14/77/1429571477.db2.gz YSUGDWILTFDHMF-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CCCC2)CC1 ZINC001733387357 1429575243 /nfs/dbraw/zinc/57/52/43/1429575243.db2.gz PVDASBHKFNGWIV-FQEVSTJZSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@]1(NC(=O)CCC[NH+]2CCCCC2)CC[N@H+](CCCC2CCC2)C1 ZINC001733414185 1429617494 /nfs/dbraw/zinc/61/74/94/1429617494.db2.gz TURWNQNMFPQUNX-OAQYLSRUSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001733463076 1429692152 /nfs/dbraw/zinc/69/21/52/1429692152.db2.gz PTPIBTKTPGONPR-AZUAARDMSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001724752994 1425122923 /nfs/dbraw/zinc/12/29/23/1425122923.db2.gz QIWWGQJSBXADAM-QWFCFKBJSA-N 2 0 345.531 3.354 20 0 EGADRP CCCC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001725026250 1425446358 /nfs/dbraw/zinc/44/63/58/1425446358.db2.gz KNRVYYDUEGQGCK-UHFFFAOYSA-N 2 0 339.568 3.325 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001725030999 1425450413 /nfs/dbraw/zinc/45/04/13/1425450413.db2.gz VTEWMLGXKIGVAF-HMECNJMJSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725030927 1425450453 /nfs/dbraw/zinc/45/04/53/1425450453.db2.gz NXMSSBNPBYHDGJ-OJBOGMDESA-N 2 0 335.536 3.188 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001725526616 1426216764 /nfs/dbraw/zinc/21/67/64/1426216764.db2.gz WWPZFAOVLSLGGE-QZTJIDSGSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001731524111 1427512522 /nfs/dbraw/zinc/51/25/22/1427512522.db2.gz CPTOFBIELLSIRQ-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C)c(C)c1 ZINC001731866873 1428115335 /nfs/dbraw/zinc/11/53/35/1428115335.db2.gz OKKXNSLKZJZGGV-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC001731918960 1428170080 /nfs/dbraw/zinc/17/00/80/1428170080.db2.gz GSUCKDMVBMGXFF-KRWDZBQOSA-N 2 0 345.531 3.403 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001733781015 1430043612 /nfs/dbraw/zinc/04/36/12/1430043612.db2.gz ZDTZWBUKUHXFTQ-IBGZPJMESA-N 2 0 345.531 3.042 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)CC1(C)C)C1CCC1 ZINC001733875048 1437701033 /nfs/dbraw/zinc/70/10/33/1437701033.db2.gz IQDOYSWCXRPMSB-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC3CCC3)C2)CC1 ZINC001733941345 1437757615 /nfs/dbraw/zinc/75/76/15/1437757615.db2.gz IPTJQEIITNMBRE-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001734199365 1437940975 /nfs/dbraw/zinc/94/09/75/1437940975.db2.gz WHPHEAZCXAVNHB-YSIASYRMSA-N 2 0 337.552 3.077 20 0 EGADRP CCc1cccc(C[N@H+](C)C2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001734271067 1438000817 /nfs/dbraw/zinc/00/08/17/1438000817.db2.gz ASRMZQXFHHUXCC-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP Cc1c(C(=O)NCCC[N@@H+](C)CCC2CCCC2)ccc2c[nH+]cn21 ZINC001752007637 1440132307 /nfs/dbraw/zinc/13/23/07/1440132307.db2.gz GSIUGAPXJHXIGM-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001752302799 1440168135 /nfs/dbraw/zinc/16/81/35/1440168135.db2.gz JYWQOLITMPEBTD-PKOBYXMFSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1)[NH+](C)C ZINC001752308931 1440169136 /nfs/dbraw/zinc/16/91/36/1440169136.db2.gz UJEWZFQOUGBUDT-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCC2CC2)CC1 ZINC001752440016 1440181149 /nfs/dbraw/zinc/18/11/49/1440181149.db2.gz RSLIPJPLQDHXTK-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752629440 1440197002 /nfs/dbraw/zinc/19/70/02/1440197002.db2.gz YCWCAAYNWVASTA-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001752683574 1440199787 /nfs/dbraw/zinc/19/97/87/1440199787.db2.gz ZEWBJGBVZXNPNT-FHWLQOOXSA-N 2 0 345.531 3.352 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752800012 1440214879 /nfs/dbraw/zinc/21/48/79/1440214879.db2.gz OPZJOTHKVXWLQM-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752801934 1440215170 /nfs/dbraw/zinc/21/51/70/1440215170.db2.gz WAYSAUKMHOEJST-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001752820452 1440220252 /nfs/dbraw/zinc/22/02/52/1440220252.db2.gz MSKVGSUMZGSYTE-HWYAZIHESA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001752825236 1440223202 /nfs/dbraw/zinc/22/32/02/1440223202.db2.gz NWLNGLMLCNUBEG-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001752828479 1440224648 /nfs/dbraw/zinc/22/46/48/1440224648.db2.gz YOIUHYUOQDOUHD-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752831130 1440225330 /nfs/dbraw/zinc/22/53/30/1440225330.db2.gz AQHIYGTZVCNZSD-OALUTQOASA-N 2 0 337.552 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752842009 1440231100 /nfs/dbraw/zinc/23/11/00/1440231100.db2.gz UGXLLOCVWOMJGX-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CCCC3CCC3)CC2)CCC1 ZINC001752850278 1440233343 /nfs/dbraw/zinc/23/33/43/1440233343.db2.gz APSXVWVGKCVUGW-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C ZINC001752903301 1440243640 /nfs/dbraw/zinc/24/36/40/1440243640.db2.gz NZHJLNVPWRQRMW-RBUKOAKNSA-N 2 0 345.531 3.162 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752949482 1440251847 /nfs/dbraw/zinc/25/18/47/1440251847.db2.gz LXHZBLLKMVVMLY-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CCCCCC3)C2)CCC1 ZINC001752972091 1440255330 /nfs/dbraw/zinc/25/53/30/1440255330.db2.gz TYNWISDJZRJRPP-MOPGFXCFSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001752976749 1440256179 /nfs/dbraw/zinc/25/61/79/1440256179.db2.gz RDSYMKXKWUBRKI-PMACEKPBSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001752979525 1440256764 /nfs/dbraw/zinc/25/67/64/1440256764.db2.gz BUQYROGHUNNQTD-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752980638 1440256964 /nfs/dbraw/zinc/25/69/64/1440256964.db2.gz POTDXBSCJHGVCH-OALUTQOASA-N 2 0 337.552 3.170 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752997714 1440262904 /nfs/dbraw/zinc/26/29/04/1440262904.db2.gz SLSLGHOJQYNDLX-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001752998856 1440263446 /nfs/dbraw/zinc/26/34/46/1440263446.db2.gz OAMULJFIKKZESL-MOPGFXCFSA-N 2 0 335.536 3.138 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753000380 1440264455 /nfs/dbraw/zinc/26/44/55/1440264455.db2.gz RXXDWDRWJQQBOX-FXAWDEMLSA-N 2 0 345.531 3.331 20 0 EGADRP C[NH+](CCC(=O)NCC[N@@H+](C)CC1=CCCCC1)C1CCCCC1 ZINC001753057977 1440282227 /nfs/dbraw/zinc/28/22/27/1440282227.db2.gz IWDUMXOOWJWUOQ-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753068354 1440286687 /nfs/dbraw/zinc/28/66/87/1440286687.db2.gz BHRJNMDUKMAOIH-IBGZPJMESA-N 2 0 349.494 3.057 20 0 EGADRP C[N@H+](CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1)C1CCCCC1 ZINC001753107358 1440306889 /nfs/dbraw/zinc/30/68/89/1440306889.db2.gz DMDVXDQFMROPRA-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001753280922 1440347337 /nfs/dbraw/zinc/34/73/37/1440347337.db2.gz PDSIVEVOUCSPHV-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001753298527 1440353323 /nfs/dbraw/zinc/35/33/23/1440353323.db2.gz JDZCWXPJNKJAFJ-VQTJNVASSA-N 2 0 343.515 3.106 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001753325632 1440366412 /nfs/dbraw/zinc/36/64/12/1440366412.db2.gz YJGQPGBAZUEQNZ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753350451 1440377755 /nfs/dbraw/zinc/37/77/55/1440377755.db2.gz JQWHLPCVJMBCAK-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC001753350906 1440377917 /nfs/dbraw/zinc/37/79/17/1440377917.db2.gz AMGBSWRNTNECJF-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001753358165 1440381223 /nfs/dbraw/zinc/38/12/23/1440381223.db2.gz KKOCJQOKJVQETN-UYAOXDASSA-N 2 0 345.531 3.260 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753359874 1440381984 /nfs/dbraw/zinc/38/19/84/1440381984.db2.gz MVNCQUVYYUWCIK-ZBWOGFRMSA-N 2 0 349.563 3.243 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368453 1440386853 /nfs/dbraw/zinc/38/68/53/1440386853.db2.gz WOCKXFZPJOBODU-GUDVDZBRSA-N 2 0 349.494 3.198 20 0 EGADRP CCCCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753403745 1440391597 /nfs/dbraw/zinc/39/15/97/1440391597.db2.gz HNFIOWCOMDOYLX-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753551905 1440435130 /nfs/dbraw/zinc/43/51/30/1440435130.db2.gz RZLIABCFGSPBBB-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001753561389 1440436946 /nfs/dbraw/zinc/43/69/46/1440436946.db2.gz RWLBLZAYDPFEOG-FQEVSTJZSA-N 2 0 349.563 3.271 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001753617975 1440450050 /nfs/dbraw/zinc/45/00/50/1440450050.db2.gz CADSLWIOSWYDSF-VQIMIIECSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2F)CCCC1 ZINC001753670622 1440461921 /nfs/dbraw/zinc/46/19/21/1440461921.db2.gz CIIUDKORDADIBB-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)C[N@H+](C)C(C)C ZINC001753743928 1440480201 /nfs/dbraw/zinc/48/02/01/1440480201.db2.gz XMLWJSUJUUJXCO-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001753755271 1440483003 /nfs/dbraw/zinc/48/30/03/1440483003.db2.gz PAFIVXBPGYAPJK-MZIIKBMYSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1 ZINC001753777773 1440486736 /nfs/dbraw/zinc/48/67/36/1440486736.db2.gz VMMKOJNZEVAHDN-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001753798260 1440490238 /nfs/dbraw/zinc/49/02/38/1440490238.db2.gz WJYAJVXIOWDEGO-QUCCMNQESA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001753800083 1440490709 /nfs/dbraw/zinc/49/07/09/1440490709.db2.gz VBXOBWWEMCEBMY-IEBWSBKVSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001753806854 1440491835 /nfs/dbraw/zinc/49/18/35/1440491835.db2.gz FTCJPQYKCGFALE-BEFAXECRSA-N 2 0 342.487 3.273 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001753810530 1440492665 /nfs/dbraw/zinc/49/26/65/1440492665.db2.gz BEOLOPWEGVLKMF-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CN(CC[N@H+](C)C/C=C/c1ccccc1)C(=O)C[NH+](C)CC(C)(C)C ZINC001753863335 1440512757 /nfs/dbraw/zinc/51/27/57/1440512757.db2.gz UCYBWBLRSDMPRX-JLHYYAGUSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001754022279 1440532731 /nfs/dbraw/zinc/53/27/31/1440532731.db2.gz YOWQJOPKZDHLGB-AZUAARDMSA-N 2 0 345.531 3.354 20 0 EGADRP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754070485 1440538001 /nfs/dbraw/zinc/53/80/01/1440538001.db2.gz CBRUJDYAHCFUTK-GOSISDBHSA-N 2 0 335.536 3.189 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001754354178 1440591360 /nfs/dbraw/zinc/59/13/60/1440591360.db2.gz QZSUKYYCGVWCLF-WOJBJXKFSA-N 2 0 345.531 3.101 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001754374063 1440592845 /nfs/dbraw/zinc/59/28/45/1440592845.db2.gz VQSKFPNPFLCZBD-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754500672 1440614188 /nfs/dbraw/zinc/61/41/88/1440614188.db2.gz QLFRXGPNSLKBQA-PXNSSMCTSA-N 2 0 345.531 3.403 20 0 EGADRP CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001754548046 1440628529 /nfs/dbraw/zinc/62/85/29/1440628529.db2.gz BGCFVOABIHWCRW-QGZVFWFLSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001754549709 1440629515 /nfs/dbraw/zinc/62/95/15/1440629515.db2.gz QHYMUPVMORDZPR-QGZVFWFLSA-N 2 0 337.552 3.076 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001754557624 1440632339 /nfs/dbraw/zinc/63/23/39/1440632339.db2.gz LENKGOPYBOSDKS-FQEVSTJZSA-N 2 0 337.552 3.223 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001754558125 1440632484 /nfs/dbraw/zinc/63/24/84/1440632484.db2.gz XYNJFQOUGCOFRD-FQEVSTJZSA-N 2 0 337.552 3.079 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001754558493 1440632835 /nfs/dbraw/zinc/63/28/35/1440632835.db2.gz UGONNYBDNIUDNU-FQEVSTJZSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C[C@@H]1C ZINC001754601956 1440642599 /nfs/dbraw/zinc/64/25/99/1440642599.db2.gz WWHIIGKZJVGZFE-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001754674739 1440659453 /nfs/dbraw/zinc/65/94/53/1440659453.db2.gz BFBQVMXFWRXJHA-AQIYZVDXSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CC2CCCCC2)C1 ZINC001754682443 1440663125 /nfs/dbraw/zinc/66/31/25/1440663125.db2.gz LUBPWUAGYWMIJQ-FQEVSTJZSA-N 2 0 335.536 3.023 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCC3)C2)CC1 ZINC001754708421 1440669694 /nfs/dbraw/zinc/66/96/94/1440669694.db2.gz GZFAEJGSMGOKQQ-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754734483 1440681586 /nfs/dbraw/zinc/68/15/86/1440681586.db2.gz WJAPIOJWFUJUJJ-HXUWFJFHSA-N 2 0 339.568 3.373 20 0 EGADRP CCc1ccccc1[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C(C)C ZINC001754789263 1440688343 /nfs/dbraw/zinc/68/83/43/1440688343.db2.gz KLCHFOKWBQIYET-LJQANCHMSA-N 2 0 347.547 3.382 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001754807195 1440691382 /nfs/dbraw/zinc/69/13/82/1440691382.db2.gz MODOUWGCJCDONG-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCC1 ZINC001754831744 1440695502 /nfs/dbraw/zinc/69/55/02/1440695502.db2.gz NGRQIXXYHHTYFX-REPLKXPHSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)c1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001754931513 1440710611 /nfs/dbraw/zinc/71/06/11/1440710611.db2.gz YZJUHJZXEYUOAI-LJQANCHMSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001754940341 1440711722 /nfs/dbraw/zinc/71/17/22/1440711722.db2.gz NKGOYTZLWCZBFV-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001754948170 1440713944 /nfs/dbraw/zinc/71/39/44/1440713944.db2.gz FZBGJBGHHWYVET-HNAYVOBHSA-N 2 0 349.494 3.043 20 0 EGADRP CCCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001754951193 1440715042 /nfs/dbraw/zinc/71/50/42/1440715042.db2.gz LQKWQXPIHIBRCS-LPHOPBHVSA-N 2 0 331.504 3.095 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001755024784 1440728100 /nfs/dbraw/zinc/72/81/00/1440728100.db2.gz IPXGPZMYTNUCSJ-HKVOBHHDSA-N 2 0 337.552 3.290 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027762 1440729795 /nfs/dbraw/zinc/72/97/95/1440729795.db2.gz GRBTYOXAAVTXOG-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001755034766 1440733477 /nfs/dbraw/zinc/73/34/77/1440733477.db2.gz YNIXMTHURIZCGV-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001755045225 1440740401 /nfs/dbraw/zinc/74/04/01/1440740401.db2.gz NJMKCHJJGVQDMW-IBGZPJMESA-N 2 0 349.494 3.153 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)[NH+]1CCCC1 ZINC001755047695 1440742040 /nfs/dbraw/zinc/74/20/40/1440742040.db2.gz OYSKOUMWVBYFQU-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001755072572 1440747092 /nfs/dbraw/zinc/74/70/92/1440747092.db2.gz LNXUAXARSOMTJX-DKFQHHCZSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001755165638 1440766924 /nfs/dbraw/zinc/76/69/24/1440766924.db2.gz PEYZLAQLCACXDN-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001755165647 1440766970 /nfs/dbraw/zinc/76/69/70/1440766970.db2.gz PGSPHODWKZWEQG-IEBWSBKVSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2)[NH+](CC)CC ZINC001755175718 1440770663 /nfs/dbraw/zinc/77/06/63/1440770663.db2.gz DZPGVMAUCZWBPU-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001755181961 1440771166 /nfs/dbraw/zinc/77/11/66/1440771166.db2.gz FEVNSYLRYQARIC-FQEVSTJZSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001755211579 1440783154 /nfs/dbraw/zinc/78/31/54/1440783154.db2.gz VVPGGFFXFBJNKO-JLAWEPINSA-N 2 0 347.547 3.092 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001755212895 1440783537 /nfs/dbraw/zinc/78/35/37/1440783537.db2.gz LFWJHPMGRCIICQ-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001755250662 1440791820 /nfs/dbraw/zinc/79/18/20/1440791820.db2.gz SSMLHHWGRAHVFM-IRXDYDNUSA-N 2 0 341.499 3.164 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001755254898 1440792898 /nfs/dbraw/zinc/79/28/98/1440792898.db2.gz AHAKRZYIOXFHKA-ROUUACIJSA-N 2 0 347.547 3.264 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001755312928 1440814278 /nfs/dbraw/zinc/81/42/78/1440814278.db2.gz JUXNLCTZTMRBTE-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CC1CCC(C)CC1 ZINC001755327787 1440822653 /nfs/dbraw/zinc/82/26/53/1440822653.db2.gz KRPUNUHEHZEWHD-JLAWEPINSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001755367716 1440835650 /nfs/dbraw/zinc/83/56/50/1440835650.db2.gz JCFKOMVXDNKGMB-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001755417084 1440849527 /nfs/dbraw/zinc/84/95/27/1440849527.db2.gz YERHDKYZKNKXJC-PKOBYXMFSA-N 2 0 345.531 3.224 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001755473808 1440859132 /nfs/dbraw/zinc/85/91/32/1440859132.db2.gz XSBKHLADELLBOL-QGZVKYPTSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001755479245 1440859871 /nfs/dbraw/zinc/85/98/71/1440859871.db2.gz GKGCAWCFLPTNIT-BZSNNMDCSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001755502915 1440862730 /nfs/dbraw/zinc/86/27/30/1440862730.db2.gz KLNZTIVMALUQNJ-HKUYNNGSSA-N 2 0 335.536 3.234 20 0 EGADRP Cc1c(C(=O)N(C)C[C@@H](C)[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001755595152 1440882378 /nfs/dbraw/zinc/88/23/78/1440882378.db2.gz ZMDGEQYSKDMMFY-OAHLLOKOSA-N 2 0 340.471 3.193 20 0 EGADRP C[C@@H](CN(C)C(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1=CCCCC1 ZINC001755619289 1440889990 /nfs/dbraw/zinc/88/99/90/1440889990.db2.gz VVYCBXOZXYOMEL-KRWDZBQOSA-N 2 0 343.515 3.299 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001755691614 1440896813 /nfs/dbraw/zinc/89/68/13/1440896813.db2.gz ZOQWSOMGSLNRPH-QWCIBIBSSA-N 2 0 349.563 3.432 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2 ZINC001755704116 1440901597 /nfs/dbraw/zinc/90/15/97/1440901597.db2.gz HWVKDSMRYXCTMK-FPOVZHCZSA-N 2 0 347.547 3.166 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001755704118 1440901701 /nfs/dbraw/zinc/90/17/01/1440901701.db2.gz HWVKDSMRYXCTMK-TZIWHRDSSA-N 2 0 347.547 3.166 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001755722974 1440908163 /nfs/dbraw/zinc/90/81/63/1440908163.db2.gz UGTZMFWXVOZYTO-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001755830580 1440928543 /nfs/dbraw/zinc/92/85/43/1440928543.db2.gz ONCRKACGTZHZJC-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@H]([NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001755857727 1440936073 /nfs/dbraw/zinc/93/60/73/1440936073.db2.gz ZOHVZUWMBKEBAM-ACBHZAAOSA-N 2 0 343.515 3.201 20 0 EGADRP Cc1c[nH+]c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1N ZINC001164996212 722206954 /nfs/dbraw/zinc/20/69/54/722206954.db2.gz RJJZSQUJZWOJEP-HXUWFJFHSA-N 2 0 340.446 3.356 20 0 EGADRP CCOC1CC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000368089341 168309810 /nfs/dbraw/zinc/30/98/10/168309810.db2.gz LEIAPHLYMFBSPJ-YZDRJCRTSA-N 2 0 328.500 3.255 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000368456281 168359175 /nfs/dbraw/zinc/35/91/75/168359175.db2.gz YUWDNKPUQNSCFR-SOUVJXGZSA-N 2 0 341.952 3.121 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000368578662 168376828 /nfs/dbraw/zinc/37/68/28/168376828.db2.gz OXAIVYFUGCCZIY-PPSBMQLTSA-N 2 0 338.442 3.037 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1O ZINC000178407499 232157950 /nfs/dbraw/zinc/15/79/50/232157950.db2.gz XHRJHYTZFDLZCY-OAHLLOKOSA-N 2 0 344.455 3.192 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184090343 235304378 /nfs/dbraw/zinc/30/43/78/235304378.db2.gz GBVZIHBIRREZLQ-CPUCHLNUSA-N 2 0 346.450 3.127 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CC2(C[NH3+])CCCCC2)[NH+]2CCCC2)o1 ZINC000184232038 235342288 /nfs/dbraw/zinc/34/22/88/235342288.db2.gz WGQXIZYGVYOWJO-KRWDZBQOSA-N 2 0 347.503 3.140 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000372880865 283209533 /nfs/dbraw/zinc/20/95/33/283209533.db2.gz MEOSAPBHYTWUDX-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1cncc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000189917556 237399712 /nfs/dbraw/zinc/39/97/12/237399712.db2.gz LHIVMFIYUSRHOG-ROUUACIJSA-N 2 0 331.504 3.101 20 0 EGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc2c[nH+]cn2c1 ZINC000339888695 241628330 /nfs/dbraw/zinc/62/83/30/241628330.db2.gz BQJQCNJIPLWXPY-UHFFFAOYSA-N 2 0 340.471 3.253 20 0 EGADRP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000378544255 242082547 /nfs/dbraw/zinc/08/25/47/242082547.db2.gz LPDZBPKTRXSLDT-OAHLLOKOSA-N 2 0 333.442 3.010 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000262713894 284003817 /nfs/dbraw/zinc/00/38/17/284003817.db2.gz SVVZBJMJLRCJIN-LPHOPBHVSA-N 2 0 331.504 3.284 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccc1-n1ccnn1 ZINC000353683464 296117787 /nfs/dbraw/zinc/11/77/87/296117787.db2.gz QFOZPBCMGGHYST-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP c1cnn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)c1 ZINC000246949221 243343560 /nfs/dbraw/zinc/34/35/60/243343560.db2.gz UNOCKPQKANZYPP-GHTZIAJQSA-N 2 0 336.483 3.321 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)cc1)C(C)C ZINC000262154385 244830723 /nfs/dbraw/zinc/83/07/23/244830723.db2.gz ZGONGSHPUWMFID-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262644223 245092701 /nfs/dbraw/zinc/09/27/01/245092701.db2.gz JPDLICLPMGZVGW-DMUMMCEESA-N 2 0 345.531 3.197 20 0 EGADRP Cc1ccncc1CCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000377544652 169039341 /nfs/dbraw/zinc/03/93/41/169039341.db2.gz VMXIUWGCGKZYGZ-KDURUIRLSA-N 3 0 345.531 3.144 20 0 EGADRP CSC1(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000377690841 169061410 /nfs/dbraw/zinc/06/14/10/169061410.db2.gz GUEZAVGOGWPNIB-UHFFFAOYSA-N 2 0 339.593 3.010 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000090038745 217912142 /nfs/dbraw/zinc/91/21/42/217912142.db2.gz ZJCKKPLDLKIOTB-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(N2CCOCC2)c1 ZINC000268705058 252155977 /nfs/dbraw/zinc/15/59/77/252155977.db2.gz BLXSBJTUYXIWLK-OALUTQOASA-N 2 0 345.531 3.438 20 0 EGADRP COCCC[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000269002323 255512118 /nfs/dbraw/zinc/51/21/18/255512118.db2.gz UZNYBVDAZSVWCH-LJQANCHMSA-N 2 0 348.531 3.462 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000118868070 221198704 /nfs/dbraw/zinc/19/87/04/221198704.db2.gz VVYKTYOJIVUVDV-UHFFFAOYSA-N 2 0 337.895 3.332 20 0 EGADRP C[NH+](C)CCCOc1cccc(NC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000119697390 221380764 /nfs/dbraw/zinc/38/07/64/221380764.db2.gz UKPBCVXDXOXRNT-IBGZPJMESA-N 2 0 341.455 3.046 20 0 EGADRP C[C@H]1CCC[C@@](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)(N(C)C)C1 ZINC000298257529 132388026 /nfs/dbraw/zinc/38/80/26/132388026.db2.gz FEMFSMOYFAKSAX-FXAWDEMLSA-N 2 0 330.520 3.151 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000341178542 141132652 /nfs/dbraw/zinc/13/26/52/141132652.db2.gz VWAVTMYWBFKCKL-UHFFFAOYSA-N 2 0 338.879 3.275 20 0 EGADRP C[C@H](CC1CC1)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000344461629 141157646 /nfs/dbraw/zinc/15/76/46/141157646.db2.gz QYTVCJNKIJOXBT-LJQANCHMSA-N 2 0 329.532 3.363 20 0 EGADRP CC[N@H+](CCCC1CC[NH+](C[C@@H]2CCCO2)CC1)C[C@H]1CCCO1 ZINC000346456338 141198675 /nfs/dbraw/zinc/19/86/75/141198675.db2.gz OHINRIYXCKRUIP-UXHICEINSA-N 2 0 338.536 3.159 20 0 EGADRP c1cn(-c2ccc(C[NH+]3CCC(Oc4ccccn4)CC3)cc2)cn1 ZINC000350615389 141255096 /nfs/dbraw/zinc/25/50/96/141255096.db2.gz FEOGGTZKXDUVFF-UHFFFAOYSA-N 2 0 334.423 3.311 20 0 EGADRP C[N@H+](Cc1ccc(-c2ccccc2F)s1)C1CCN(CCO)CC1 ZINC000353355620 141293702 /nfs/dbraw/zinc/29/37/02/141293702.db2.gz QIHIZWOIVNDFPY-UHFFFAOYSA-N 2 0 348.487 3.443 20 0 EGADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000353461078 141301501 /nfs/dbraw/zinc/30/15/01/141301501.db2.gz ABLUGOWWWUKVEH-UXHICEINSA-N 2 0 343.515 3.491 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000353472401 141304595 /nfs/dbraw/zinc/30/45/95/141304595.db2.gz UDCVSGPXXKDRRA-LZQZEXGQSA-N 2 0 329.488 3.388 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000353476983 141304836 /nfs/dbraw/zinc/30/48/36/141304836.db2.gz ZXPDEOYHDUGOJH-DBVUQKKJSA-N 2 0 343.515 3.065 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000354674838 141319284 /nfs/dbraw/zinc/31/92/84/141319284.db2.gz OEXKTSQKVDGWLH-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP FC(F)(F)CN1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000178365032 144069951 /nfs/dbraw/zinc/06/99/51/144069951.db2.gz JRGDKOZJMLMXDO-UHFFFAOYSA-N 2 0 347.469 3.400 20 0 EGADRP CCCCNC(=O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000116276649 152054831 /nfs/dbraw/zinc/05/48/31/152054831.db2.gz FXKOEPHGAFXXAR-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CN(C)[C@@H](C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccco1 ZINC000120456270 152278135 /nfs/dbraw/zinc/27/81/35/152278135.db2.gz WZPDVJCXOZPKGJ-MOPGFXCFSA-N 2 0 327.472 3.137 20 0 EGADRP COc1ccccc1[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000192596302 153251062 /nfs/dbraw/zinc/25/10/62/153251062.db2.gz ZOYALKMGWZNURV-DLZDZTESSA-N 2 0 343.515 3.047 20 0 EGADRP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192933608 153267700 /nfs/dbraw/zinc/26/77/00/153267700.db2.gz NZJDGHQOEFRHND-LJQANCHMSA-N 2 0 337.467 3.257 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229686082 153438681 /nfs/dbraw/zinc/43/86/81/153438681.db2.gz WOPZJOYBKVMRLE-UHFFFAOYSA-N 2 0 341.171 3.176 20 0 EGADRP C[C@@]1(C[NH2+]C2CCC3(CC2)OCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000311030607 154144957 /nfs/dbraw/zinc/14/49/57/154144957.db2.gz PXSGTYPEDXBWIG-FQEVSTJZSA-N 2 0 344.499 3.174 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000337379944 154321309 /nfs/dbraw/zinc/32/13/09/154321309.db2.gz CYJDAUCFXGRERH-FQEVSTJZSA-N 2 0 327.516 3.246 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346814405 156147863 /nfs/dbraw/zinc/14/78/63/156147863.db2.gz BEYKWJXDBUCYMT-CEWLAPEOSA-N 2 0 338.499 3.107 20 0 EGADRP FC(F)(F)c1csc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000347001255 156238293 /nfs/dbraw/zinc/23/82/93/156238293.db2.gz GXAZSFVSBMYEGB-LBPRGKRZSA-N 2 0 333.423 3.341 20 0 EGADRP CN(Cc1cnn(-c2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348873124 156270648 /nfs/dbraw/zinc/27/06/48/156270648.db2.gz DVOMNZVEUWHHNU-DFNIBXOVSA-N 2 0 328.435 3.068 20 0 EGADRP Cc1cc2[nH]c(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000349060335 156339077 /nfs/dbraw/zinc/33/90/77/156339077.db2.gz FGXGCPZNXGKKHW-UHFFFAOYSA-N 2 0 342.531 3.243 20 0 EGADRP COc1ccc2nc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)sc2c1 ZINC000349158196 156371616 /nfs/dbraw/zinc/37/16/16/156371616.db2.gz ZRBFGYZIHQNVME-OAHLLOKOSA-N 2 0 345.512 3.469 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](NCc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000362130661 157035004 /nfs/dbraw/zinc/03/50/04/157035004.db2.gz SDRWZEVDHJXJGQ-HOTGVXAUSA-N 2 0 339.549 3.493 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(C)ccc1OC ZINC000093405312 162007771 /nfs/dbraw/zinc/00/77/71/162007771.db2.gz LPRCJVCKUSVISO-FQEVSTJZSA-N 2 0 347.547 3.318 20 0 EGADRP CCOC[C@H]1CCC[N@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000093419365 162010260 /nfs/dbraw/zinc/01/02/60/162010260.db2.gz ARKLVPCYQKKFAK-IBGZPJMESA-N 2 0 345.531 3.077 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000130362014 162365342 /nfs/dbraw/zinc/36/53/42/162365342.db2.gz KJUYBERLXLQDDE-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248446726 163006685 /nfs/dbraw/zinc/00/66/85/163006685.db2.gz WUUNRDHWPBJXLD-ZIAGYGMSSA-N 2 0 330.398 3.023 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338439881 163226696 /nfs/dbraw/zinc/22/66/96/163226696.db2.gz ZPYMSHITESWNKV-KRWDZBQOSA-N 2 0 326.488 3.217 20 0 EGADRP CCC[C@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000338946749 163398905 /nfs/dbraw/zinc/39/89/05/163398905.db2.gz ZZGJSDHBIVINMD-IBGZPJMESA-N 2 0 345.531 3.150 20 0 EGADRP COCc1cccc(OCC2(C[N@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)CC2)c1 ZINC000354795519 166033921 /nfs/dbraw/zinc/03/39/21/166033921.db2.gz WXCGHUKMCVZPOX-PKOBYXMFSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCN1C1CC[NH+](C)CC1 ZINC000343777247 164032699 /nfs/dbraw/zinc/03/26/99/164032699.db2.gz XWFAZHCGWOXBSN-MRXNPFEDSA-N 2 0 327.472 3.033 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000343992127 164078221 /nfs/dbraw/zinc/07/82/21/164078221.db2.gz RIMYSSJPYNRVKL-QGZVFWFLSA-N 2 0 343.496 3.349 20 0 EGADRP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000344037242 164087807 /nfs/dbraw/zinc/08/78/07/164087807.db2.gz IOWWFOVCIDEEOA-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000344036940 164088217 /nfs/dbraw/zinc/08/82/17/164088217.db2.gz VVLASUOPFDXVQB-LJQANCHMSA-N 2 0 349.519 3.070 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000344079160 164099022 /nfs/dbraw/zinc/09/90/22/164099022.db2.gz SVHFSSRONNTNSF-WOJBJXKFSA-N 2 0 346.515 3.107 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cn4c(n3)SCC4)CC2)C1 ZINC000344118145 164107787 /nfs/dbraw/zinc/10/77/87/164107787.db2.gz AYHLBJTYBPFCMP-MAUKXSAKSA-N 2 0 348.560 3.164 20 0 EGADRP Nc1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000344336157 164159422 /nfs/dbraw/zinc/15/94/22/164159422.db2.gz AENJALGKLVJINQ-UHFFFAOYSA-N 2 0 330.501 3.221 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@H](C)C1 ZINC000344532581 164187933 /nfs/dbraw/zinc/18/79/33/164187933.db2.gz GBXKUJIHNYOZIC-UTKZUKDTSA-N 2 0 339.483 3.481 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000345744555 164257113 /nfs/dbraw/zinc/25/71/13/164257113.db2.gz YTULQINIIGUFDD-SJORKVTESA-N 2 0 339.483 3.440 20 0 EGADRP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000345808752 164269725 /nfs/dbraw/zinc/26/97/25/164269725.db2.gz CCQSCYVGVTVQOF-OTWHNJEPSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)cc1 ZINC000345931494 164297946 /nfs/dbraw/zinc/29/79/46/164297946.db2.gz WJAVQYPTRULLPM-ZWKOTPCHSA-N 2 0 345.531 3.473 20 0 EGADRP CCN(CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000354862958 166050207 /nfs/dbraw/zinc/05/02/07/166050207.db2.gz XOBLJWNYEBMJJF-MRXNPFEDSA-N 2 0 335.458 3.069 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000350180525 165016152 /nfs/dbraw/zinc/01/61/52/165016152.db2.gz GBGHEPWCWPQJOU-ZBFHGGJFSA-N 2 0 326.431 3.459 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000350358618 165034843 /nfs/dbraw/zinc/03/48/43/165034843.db2.gz RBIWJSMMOOJGQX-UHFFFAOYSA-N 2 0 347.272 3.036 20 0 EGADRP CSC1(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)CC[NH+](C)CC1 ZINC000353214236 165677680 /nfs/dbraw/zinc/67/76/80/165677680.db2.gz BYTMXCDEWXWASB-UHFFFAOYSA-N 2 0 344.528 3.302 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000355117144 166111240 /nfs/dbraw/zinc/11/12/40/166111240.db2.gz IPCSOVDZLHJWKH-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000355733442 166292262 /nfs/dbraw/zinc/29/22/62/166292262.db2.gz LCQKRFQXKPODLO-QGZVFWFLSA-N 2 0 340.508 3.351 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000357889339 166804238 /nfs/dbraw/zinc/80/42/38/166804238.db2.gz ZMJAYHHGQXAVGJ-UKRRQHHQSA-N 2 0 345.409 3.189 20 0 EGADRP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000359054601 167052784 /nfs/dbraw/zinc/05/27/84/167052784.db2.gz KYENQVJFAVWYRX-XSDIEEQYSA-N 2 0 328.500 3.038 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000359311019 167122545 /nfs/dbraw/zinc/12/25/45/167122545.db2.gz KJZJFMBRGSLQJM-UYAOXDASSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000359470997 167165674 /nfs/dbraw/zinc/16/56/74/167165674.db2.gz KXDAWVGKSBVFOC-JENIJYKNSA-N 2 0 348.535 3.097 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000359508648 167175385 /nfs/dbraw/zinc/17/53/85/167175385.db2.gz DKVVALWNZFBXGT-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000359769674 167227499 /nfs/dbraw/zinc/22/74/99/167227499.db2.gz YVMICAXGLOJQIJ-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000359769672 167227714 /nfs/dbraw/zinc/22/77/14/167227714.db2.gz YVMICAXGLOJQIJ-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000359777456 167229643 /nfs/dbraw/zinc/22/96/43/167229643.db2.gz HZPWJSHMZUBBSS-MRXNPFEDSA-N 2 0 340.471 3.097 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360434452 167328580 /nfs/dbraw/zinc/32/85/80/167328580.db2.gz XUTKJDORBRJLCQ-AWEZNQCLSA-N 2 0 341.499 3.441 20 0 EGADRP CSc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000367617627 168250360 /nfs/dbraw/zinc/25/03/60/168250360.db2.gz LUNDKBIWCZMUPN-SFHVURJKSA-N 2 0 333.545 3.009 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353459206 287314481 /nfs/dbraw/zinc/31/44/81/287314481.db2.gz LHTXQAOCXRPDAL-RNQOJCNYSA-N 2 0 343.515 3.059 20 0 EGADRP COCCC[NH+]1CCC(N[C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000159122170 225151399 /nfs/dbraw/zinc/15/13/99/225151399.db2.gz VOVBSDIEUOEZMY-GFCCVEGCSA-N 2 0 330.394 3.255 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000122959779 222190265 /nfs/dbraw/zinc/19/02/65/222190265.db2.gz CXFJMZUFQIKXKB-MRXNPFEDSA-N 2 0 334.504 3.489 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000125305937 222545373 /nfs/dbraw/zinc/54/53/73/222545373.db2.gz DEJPYWCBIUCXEQ-HNNXBMFYSA-N 2 0 344.503 3.353 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178670683 265335188 /nfs/dbraw/zinc/33/51/88/265335188.db2.gz RHWWJHIDHAZIFB-PMACEKPBSA-N 2 0 343.515 3.196 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1)C(C)C ZINC000236993076 266222302 /nfs/dbraw/zinc/22/23/02/266222302.db2.gz VSRGPPHWPIKESM-LPHOPBHVSA-N 2 0 331.504 3.116 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000237443747 266234589 /nfs/dbraw/zinc/23/45/89/266234589.db2.gz LNJOTSCWRCXSSX-DLBZAZTESA-N 2 0 332.488 3.448 20 0 EGADRP CC(C)N(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269605654 266323825 /nfs/dbraw/zinc/32/38/25/266323825.db2.gz JQAMNYCMCLGWNK-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(Br)ncc1F ZINC000273908163 267140153 /nfs/dbraw/zinc/14/01/53/267140153.db2.gz XEUBMFJSSASLOS-NSHDSACASA-N 2 0 344.272 3.366 20 0 EGADRP Cc1cc(C)n(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000274852131 267297704 /nfs/dbraw/zinc/29/77/04/267297704.db2.gz REIDNKXTSAXMOZ-JXFKEZNVSA-N 2 0 326.488 3.000 20 0 EGADRP COC(=O)c1coc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000278391931 268002881 /nfs/dbraw/zinc/00/28/81/268002881.db2.gz DWLDYEGNYOMRSP-OAHLLOKOSA-N 2 0 336.476 3.475 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CCCc1c(F)cccc1Cl ZINC000278474315 268021464 /nfs/dbraw/zinc/02/14/64/268021464.db2.gz IDPXZJVJRLAXFW-HNNXBMFYSA-N 2 0 341.902 3.027 20 0 EGADRP CN1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489192 268025000 /nfs/dbraw/zinc/02/50/00/268025000.db2.gz BIMZPVJQFWNTRU-CEMLEFRQSA-N 2 0 341.543 3.361 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000107343399 275171698 /nfs/dbraw/zinc/17/16/98/275171698.db2.gz BIRPFICJVVWSLT-UHFFFAOYSA-N 2 0 325.541 3.314 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000194883000 275229147 /nfs/dbraw/zinc/22/91/47/275229147.db2.gz ZSZXAHAWTOWUBZ-IAGOWNOFSA-N 2 0 335.561 3.333 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)o1 ZINC000278624100 275260116 /nfs/dbraw/zinc/26/01/16/275260116.db2.gz GLGRCDOBEWJLCQ-HNAYVOBHSA-N 2 0 328.456 3.314 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1O ZINC000278689404 275265943 /nfs/dbraw/zinc/26/59/43/275265943.db2.gz MQLSPAGSJWKQTM-HNNXBMFYSA-N 2 0 332.488 3.186 20 0 EGADRP COC(=O)c1coc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000278828824 275278706 /nfs/dbraw/zinc/27/87/06/275278706.db2.gz TUJSMVCUKKKIAW-AWEZNQCLSA-N 2 0 343.427 3.028 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000284368535 275795240 /nfs/dbraw/zinc/79/52/40/275795240.db2.gz ODXBTFQUPBQDTH-PGRDOPGGSA-N 2 0 342.527 3.407 20 0 EGADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000285745306 275907683 /nfs/dbraw/zinc/90/76/83/275907683.db2.gz QPQWJZVNAKIIOC-UHFFFAOYSA-N 2 0 332.492 3.088 20 0 EGADRP COCCC[C@H]([NH2+]CCN(C)C)c1ccc(Br)cc1 ZINC000287138648 276088467 /nfs/dbraw/zinc/08/84/67/276088467.db2.gz SCCQZKXMSFHUNO-HNNXBMFYSA-N 2 0 329.282 3.068 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000287227294 276098580 /nfs/dbraw/zinc/09/85/80/276098580.db2.gz XXWFBTLMKWNUIE-FRQCXROJSA-N 2 0 346.519 3.108 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122907964 276194951 /nfs/dbraw/zinc/19/49/51/276194951.db2.gz BEMNBRBEPSWTJU-VQTJNVASSA-N 2 0 329.532 3.186 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000195026852 276202899 /nfs/dbraw/zinc/20/28/99/276202899.db2.gz XBAVPDUGBBIPSY-FRQCXROJSA-N 2 0 349.494 3.043 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289796519 276396273 /nfs/dbraw/zinc/39/62/73/276396273.db2.gz QYWLQUBBLQGJDK-KRWDZBQOSA-N 2 0 329.492 3.176 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000292164699 276743581 /nfs/dbraw/zinc/74/35/81/276743581.db2.gz VKPOMBARLVFYPV-ROUUACIJSA-N 2 0 349.906 3.125 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)c2ccccc2C1 ZINC000361908131 277009795 /nfs/dbraw/zinc/00/97/95/277009795.db2.gz NFLJGSMLPHCGLT-UWJYYQICSA-N 2 0 343.515 3.192 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000342283560 277113501 /nfs/dbraw/zinc/11/35/01/277113501.db2.gz HSCMEYIETXRDAD-KBPBESRZSA-N 2 0 325.859 3.072 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000376425914 277150902 /nfs/dbraw/zinc/15/09/02/277150902.db2.gz JNVDIMAJBIFQTP-SFHVURJKSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000178140163 277151107 /nfs/dbraw/zinc/15/11/07/277151107.db2.gz KZEGYGASLJNBIE-INIZCTEOSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268804064 278370752 /nfs/dbraw/zinc/37/07/52/278370752.db2.gz IGNAKQHISKVDHJ-DNVCBOLYSA-N 2 0 342.487 3.089 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccsc1 ZINC000192518152 279164011 /nfs/dbraw/zinc/16/40/11/279164011.db2.gz RZQOJIOZKGIMKE-MJGOQNOKSA-N 2 0 345.512 3.121 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182064967 279906048 /nfs/dbraw/zinc/90/60/48/279906048.db2.gz WOMQWHTZVFBUTB-RDTXWAMCSA-N 2 0 341.902 3.402 20 0 EGADRP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173491504 281349704 /nfs/dbraw/zinc/34/97/04/281349704.db2.gz QGVQIMKOOSVQLA-SFHVURJKSA-N 2 0 329.488 3.274 20 0 EGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000177890262 293154956 /nfs/dbraw/zinc/15/49/56/293154956.db2.gz WMNVCSLVSMSJRC-QKLQHJQFSA-N 2 0 334.504 3.056 20 0 EGADRP COc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)c(OC)c1OC ZINC000352535188 295126420 /nfs/dbraw/zinc/12/64/20/295126420.db2.gz NSKULOOSKXTFHZ-UHFFFAOYSA-N 2 0 336.476 3.053 20 0 EGADRP [NH3+]CC1(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCCCC1 ZINC000185352244 303370184 /nfs/dbraw/zinc/37/01/84/303370184.db2.gz GEQMJXLXSUNCIF-LJQANCHMSA-N 2 0 343.515 3.239 20 0 EGADRP [NH3+]CCCCCCC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000375508962 303374688 /nfs/dbraw/zinc/37/46/88/303374688.db2.gz AYIXAEHKGBQPJG-PMACEKPBSA-N 2 0 345.531 3.094 20 0 EGADRP [NH3+]CCC[N@H+](CCc1nc(-c2ccccc2)no1)CC1CCCC1 ZINC000352504613 303377764 /nfs/dbraw/zinc/37/77/64/303377764.db2.gz SFUXBZABTDIXPJ-UHFFFAOYSA-N 2 0 328.460 3.120 20 0 EGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000052442347 307331974 /nfs/dbraw/zinc/33/19/74/307331974.db2.gz DWDYFYQNAZGJCL-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)N1CC[NH+](C)CC1 ZINC000089701583 307451099 /nfs/dbraw/zinc/45/10/99/307451099.db2.gz NUNAGPHSNFQFPA-SJCJKPOMSA-N 2 0 342.314 3.206 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C12CCC2 ZINC000414198742 309066374 /nfs/dbraw/zinc/06/63/74/309066374.db2.gz WJOYCKXXSXIWTN-ATZDWAIDSA-N 2 0 332.488 3.235 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@@H](C)C1 ZINC000414329813 309073294 /nfs/dbraw/zinc/07/32/94/309073294.db2.gz IQQUMUIXUPYRPV-HKUYNNGSSA-N 2 0 333.520 3.086 20 0 EGADRP Cc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000414369684 309075759 /nfs/dbraw/zinc/07/57/59/309075759.db2.gz VEXRMJAUWIAQRZ-HKUYNNGSSA-N 2 0 326.488 3.119 20 0 EGADRP CC[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000248749961 308010615 /nfs/dbraw/zinc/01/06/15/308010615.db2.gz SZTBZQQOSYLOGX-DYESRHJHSA-N 2 0 343.515 3.067 20 0 EGADRP Fc1ccc(Cn2cc(C[NH2+]CCCCC[NH+]3CCCC3)cn2)cc1 ZINC000292916163 308079672 /nfs/dbraw/zinc/07/96/72/308079672.db2.gz FVPPSBOQWVJZFF-UHFFFAOYSA-N 2 0 344.478 3.426 20 0 EGADRP CSc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000295053630 308285763 /nfs/dbraw/zinc/28/57/63/308285763.db2.gz QMXICCLGONCIOW-LNLFQRSKSA-N 2 0 333.545 3.228 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000414696860 309096027 /nfs/dbraw/zinc/09/60/27/309096027.db2.gz QPNDBMZFTQJRIT-DZGCQCFKSA-N 2 0 325.294 3.312 20 0 EGADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414700528 309096152 /nfs/dbraw/zinc/09/61/52/309096152.db2.gz SXMKTZPPJVWNHZ-PMPSAXMXSA-N 2 0 337.458 3.032 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]([NH3+])C1CC1)C1CCCCC1 ZINC000414707602 309096530 /nfs/dbraw/zinc/09/65/30/309096530.db2.gz ICBXODNKLPELBB-SFHVURJKSA-N 2 0 344.503 3.310 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414695575 309095795 /nfs/dbraw/zinc/09/57/95/309095795.db2.gz PCZSSELIUOBRPX-NQIIRXRSSA-N 3 0 329.532 3.219 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414772817 309099985 /nfs/dbraw/zinc/09/99/85/309099985.db2.gz CNLOPFUTYYMMCU-ZIAGYGMSSA-N 2 0 340.414 3.118 20 0 EGADRP COC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(F)c1 ZINC000297644086 308552695 /nfs/dbraw/zinc/55/26/95/308552695.db2.gz MXABFGPWKQIZLZ-LJQANCHMSA-N 2 0 347.409 3.306 20 0 EGADRP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000414769890 309099746 /nfs/dbraw/zinc/09/97/46/309099746.db2.gz OCINJOSZRCJRTI-BETUJISGSA-N 2 0 330.806 3.373 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298223401 308594989 /nfs/dbraw/zinc/59/49/89/308594989.db2.gz AQTIFJIIGRKPHJ-UHFFFAOYSA-N 2 0 349.482 3.388 20 0 EGADRP COCCOc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414806055 309102491 /nfs/dbraw/zinc/10/24/91/309102491.db2.gz HAHPXEFWKDANET-HNNXBMFYSA-N 2 0 344.455 3.030 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000414804808 309102626 /nfs/dbraw/zinc/10/26/26/309102626.db2.gz PBWFLZFRRWSPKQ-GRDNDAEWSA-N 2 0 337.895 3.473 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000414804814 309102629 /nfs/dbraw/zinc/10/26/29/309102629.db2.gz PBWFLZFRRWSPKQ-VBQJREDUSA-N 2 0 337.895 3.473 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414832183 309104369 /nfs/dbraw/zinc/10/43/69/309104369.db2.gz OAJCQEOJFJZZSR-KRWDZBQOSA-N 2 0 340.515 3.318 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000423498213 309403184 /nfs/dbraw/zinc/40/31/84/309403184.db2.gz GPHVFMUCGYNCOY-TUAOUCFPSA-N 2 0 327.266 3.236 20 0 EGADRP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301556021 308705022 /nfs/dbraw/zinc/70/50/22/308705022.db2.gz SFCFTNFXRAYUGC-UHFFFAOYSA-N 2 0 331.435 3.311 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834865 309104724 /nfs/dbraw/zinc/10/47/24/309104724.db2.gz HZIORMLOIWJIIX-MRXNPFEDSA-N 2 0 325.456 3.237 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414844909 309105162 /nfs/dbraw/zinc/10/51/62/309105162.db2.gz DFVNAMUMKVXSBK-HZPDHXFCSA-N 2 0 335.923 3.282 20 0 EGADRP C[C@@H](C[NH3+])CNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000414872787 309106560 /nfs/dbraw/zinc/10/65/60/309106560.db2.gz GDEWOYPDTMGKFW-NSHDSACASA-N 2 0 325.865 3.060 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000411769813 308952260 /nfs/dbraw/zinc/95/22/60/308952260.db2.gz KXZLEYCIJTXFHP-MRXNPFEDSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414894777 309107949 /nfs/dbraw/zinc/10/79/49/309107949.db2.gz LVLVDIIXDBRRIZ-CYBMUJFWSA-N 2 0 331.847 3.419 20 0 EGADRP CCOc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000414899729 309108280 /nfs/dbraw/zinc/10/82/80/309108280.db2.gz HMPPSHKXVPOJJI-QGZVFWFLSA-N 2 0 328.403 3.166 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914855 309108973 /nfs/dbraw/zinc/10/89/73/309108973.db2.gz YPMKTGYVGXHTFO-UHFFFAOYSA-N 2 0 348.441 3.247 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414915617 309109019 /nfs/dbraw/zinc/10/90/19/309109019.db2.gz ZWINYRPWHCWKPS-UHFFFAOYSA-N 2 0 340.515 3.336 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414914918 309109049 /nfs/dbraw/zinc/10/90/49/309109049.db2.gz YHZNBNYJTCPPSJ-UHFFFAOYSA-N 2 0 326.469 3.429 20 0 EGADRP C[C@H](CN)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414934069 309109987 /nfs/dbraw/zinc/10/99/87/309109987.db2.gz UYAODQRCILVSGF-DTWKUNHWSA-N 2 0 337.773 3.013 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414948900 309110948 /nfs/dbraw/zinc/11/09/48/309110948.db2.gz MTHZEGSNDYSUCK-UPJWGTAASA-N 2 0 343.393 3.153 20 0 EGADRP COc1sc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Br ZINC000414979463 309112605 /nfs/dbraw/zinc/11/26/05/309112605.db2.gz VEHRQZDMANKHSV-JTQLQIEISA-N 2 0 333.295 3.141 20 0 EGADRP COCC1(C[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CC[NH2+]CC1 ZINC000414979698 309112708 /nfs/dbraw/zinc/11/27/08/309112708.db2.gz VELOJPNXEVHMNB-PMACEKPBSA-N 2 0 330.516 3.394 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414998615 309113461 /nfs/dbraw/zinc/11/34/61/309113461.db2.gz IIFHHNNFNQEERV-WRTQPQOASA-N 2 0 327.516 3.004 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000940 309113630 /nfs/dbraw/zinc/11/36/30/309113630.db2.gz BUCCYJAJHOMKTJ-RBUKOAKNSA-N 2 0 344.890 3.312 20 0 EGADRP Clc1cccc(N2CCCC2)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001012 309113672 /nfs/dbraw/zinc/11/36/72/309113672.db2.gz BXMZYKWCEUNPMG-MAUKXSAKSA-N 2 0 333.907 3.418 20 0 EGADRP COCc1cccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000415004034 309113796 /nfs/dbraw/zinc/11/37/96/309113796.db2.gz NQGRMVWYCQXVPV-PZJWPPBQSA-N 2 0 342.458 3.455 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c(Cl)c1 ZINC000415008212 309113901 /nfs/dbraw/zinc/11/39/01/309113901.db2.gz CXPLTRWQVNQWAI-KBPBESRZSA-N 2 0 325.884 3.473 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000415011017 309114144 /nfs/dbraw/zinc/11/41/44/309114144.db2.gz VQSYBEJXSUHDAF-DOTOQJQBSA-N 2 0 335.923 3.412 20 0 EGADRP COc1cc(Cl)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000415011236 309114155 /nfs/dbraw/zinc/11/41/55/309114155.db2.gz QPYCXIJFDZGTJW-SWLSCSKDSA-N 2 0 329.271 3.480 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1OCc1ccccc1 ZINC000415018893 309114654 /nfs/dbraw/zinc/11/46/54/309114654.db2.gz HGQFIRWAOMJHDI-MRXNPFEDSA-N 2 0 328.456 3.491 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415031930 309115434 /nfs/dbraw/zinc/11/54/34/309115434.db2.gz HKIZBUKQUJCJQE-PKOBYXMFSA-N 2 0 340.467 3.491 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415050828 309116583 /nfs/dbraw/zinc/11/65/83/309116583.db2.gz YXYUXHVVTJHABG-NVXWUHKLSA-N 2 0 346.906 3.419 20 0 EGADRP CCc1ccccc1[C@H]([NH3+])CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000415068217 309118038 /nfs/dbraw/zinc/11/80/38/309118038.db2.gz QRSWZFNIELCENV-QGZVFWFLSA-N 2 0 343.437 3.255 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000415086638 309119394 /nfs/dbraw/zinc/11/93/94/309119394.db2.gz JVRLDZCWGRDCEI-XUVXKRRUSA-N 2 0 338.499 3.499 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[NH2+]1 ZINC000415090779 309119607 /nfs/dbraw/zinc/11/96/07/309119607.db2.gz ZNSIVDOFDNKVKT-ZBFHGGJFSA-N 2 0 329.419 3.491 20 0 EGADRP [NH3+]CC1CCC([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 ZINC000415090719 309119705 /nfs/dbraw/zinc/11/97/05/309119705.db2.gz ZJIURMBCEFRUSU-UHFFFAOYSA-N 2 0 330.501 3.245 20 0 EGADRP COc1cccc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c1OC1CCCC1 ZINC000415093857 309119755 /nfs/dbraw/zinc/11/97/55/309119755.db2.gz WIJVICKOYZZPFE-HZPDHXFCSA-N 2 0 332.488 3.494 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000415094546 309119856 /nfs/dbraw/zinc/11/98/56/309119856.db2.gz KIAADGJTJNSRFO-IOASZLSFSA-N 2 0 338.293 3.369 20 0 EGADRP CC1(C)Cc2cccc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)c2O1 ZINC000415123581 309121868 /nfs/dbraw/zinc/12/18/68/309121868.db2.gz LGQFPHQOTMQGSZ-MOPGFXCFSA-N 2 0 344.499 3.118 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)C1 ZINC000415122677 309121874 /nfs/dbraw/zinc/12/18/74/309121874.db2.gz KGCJGDJMMMRNCV-FPOVZHCZSA-N 2 0 344.499 3.194 20 0 EGADRP CC[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)Oc1ccccc1C(F)(F)F ZINC000415126213 309122140 /nfs/dbraw/zinc/12/21/40/309122140.db2.gz UFJGTCUAJAOJOQ-UONOGXRCSA-N 2 0 330.394 3.452 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415137702 309123291 /nfs/dbraw/zinc/12/32/91/309123291.db2.gz YHIVFZJBQVIIJD-QUCCMNQESA-N 2 0 332.488 3.192 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000415138283 309123301 /nfs/dbraw/zinc/12/33/01/309123301.db2.gz YUXZPYKIYJAYON-LPHOPBHVSA-N 2 0 325.456 3.077 20 0 EGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415783427 309143784 /nfs/dbraw/zinc/14/37/84/309143784.db2.gz GAZUYJQZCGBOMS-ROUUACIJSA-N 2 0 332.492 3.073 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000415899850 309146839 /nfs/dbraw/zinc/14/68/39/309146839.db2.gz KNLIBVBEDPUYJL-OAHLLOKOSA-N 2 0 332.492 3.038 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000415959725 309151266 /nfs/dbraw/zinc/15/12/66/309151266.db2.gz PMDONKPECGAFNQ-BEFAXECRSA-N 2 0 340.471 3.267 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)CC(C)C ZINC000415992554 309153531 /nfs/dbraw/zinc/15/35/31/309153531.db2.gz QYWJQQHVRNFOLE-GOSISDBHSA-N 2 0 334.508 3.284 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417308967 309201111 /nfs/dbraw/zinc/20/11/11/309201111.db2.gz INCPAKKQLCKNQS-XEIOYGOASA-N 2 0 334.529 3.208 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417316528 309201429 /nfs/dbraw/zinc/20/14/29/309201429.db2.gz UIWRXORPPNDVQN-BPQIPLTHSA-N 2 0 335.561 3.103 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n(C)n1 ZINC000417884977 309226747 /nfs/dbraw/zinc/22/67/47/309226747.db2.gz XHBIWVACHHFUJO-CALCHBBNSA-N 2 0 340.515 3.496 20 0 EGADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000420278671 309279284 /nfs/dbraw/zinc/27/92/84/309279284.db2.gz WAJFWUZFISANMN-FQEVSTJZSA-N 2 0 337.467 3.346 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420295502 309279843 /nfs/dbraw/zinc/27/98/43/309279843.db2.gz PIYQBFDNFFSFJF-GFCCVEGCSA-N 2 0 332.469 3.247 20 0 EGADRP COc1ccc(CCC[N@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420299480 309280076 /nfs/dbraw/zinc/28/00/76/309280076.db2.gz GQDWPHBGFKXIRC-LJQANCHMSA-N 2 0 342.483 3.311 20 0 EGADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000420306619 309280682 /nfs/dbraw/zinc/28/06/82/309280682.db2.gz QOKQLHUJIIFJRC-FKBYEOEOSA-N 2 0 338.495 3.371 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420322727 309282159 /nfs/dbraw/zinc/28/21/59/309282159.db2.gz FEHRWQYYQQXUSJ-CQSZACIVSA-N 2 0 340.920 3.119 20 0 EGADRP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420327960 309282518 /nfs/dbraw/zinc/28/25/18/309282518.db2.gz LXILKVUNLGVQQM-MSOLQXFVSA-N 2 0 325.456 3.472 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc2o1 ZINC000420328943 309282713 /nfs/dbraw/zinc/28/27/13/309282713.db2.gz NOOLAVKWOPWYQV-JKSUJKDBSA-N 2 0 342.439 3.041 20 0 EGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420334803 309282810 /nfs/dbraw/zinc/28/28/10/309282810.db2.gz GNINZORRZPDGEK-HUUCEWRRSA-N 2 0 346.500 3.052 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420333281 309282830 /nfs/dbraw/zinc/28/28/30/309282830.db2.gz FHTJJGZZIHTNGL-AEFFLSMTSA-N 2 0 329.488 3.094 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336962 309282968 /nfs/dbraw/zinc/28/29/68/309282968.db2.gz MSTRFUWIOMYPHZ-QAPCUYQASA-N 2 0 329.488 3.040 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000420341163 309283201 /nfs/dbraw/zinc/28/32/01/309283201.db2.gz NWHYUMDMUOVPPW-QFBILLFUSA-N 2 0 329.488 3.094 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420341171 309283325 /nfs/dbraw/zinc/28/33/25/309283325.db2.gz NWWJYIPOAXIVSJ-KSSFIOAISA-N 2 0 347.528 3.200 20 0 EGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420384281 309285498 /nfs/dbraw/zinc/28/54/98/309285498.db2.gz RLYRMJPUHFEGLM-DLBZAZTESA-N 2 0 333.867 3.178 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000420381551 309285540 /nfs/dbraw/zinc/28/55/40/309285540.db2.gz XVARMHFPZFSDMP-SLFFLAALSA-N 2 0 344.886 3.312 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3Cl)CC2)C1 ZINC000420396725 309286358 /nfs/dbraw/zinc/28/63/58/309286358.db2.gz WFDIGEURWCQXNN-NVXWUHKLSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000420396969 309286416 /nfs/dbraw/zinc/28/64/16/309286416.db2.gz FNZKVHNPVVVFAI-VQIMIIECSA-N 2 0 337.467 3.356 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)cc(C)c3)CC2)CC1 ZINC000420986729 309306097 /nfs/dbraw/zinc/30/60/97/309306097.db2.gz YQNTYLJKLZUCEW-UHFFFAOYSA-N 2 0 329.532 3.295 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000421367211 309320877 /nfs/dbraw/zinc/32/08/77/309320877.db2.gz DWEQJGGERBQLOL-FXAWDEMLSA-N 2 0 345.531 3.395 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1C ZINC000421367210 309320903 /nfs/dbraw/zinc/32/09/03/309320903.db2.gz DGCIZRDUGXXTTD-FAEJEUNOSA-N 2 0 331.504 3.483 20 0 EGADRP COC1([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398884 309322814 /nfs/dbraw/zinc/32/28/14/309322814.db2.gz GWHIJZLRXNZZEX-CMKODMSKSA-N 2 0 346.515 3.071 20 0 EGADRP COC1([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000421830391 309342166 /nfs/dbraw/zinc/34/21/66/309342166.db2.gz BMIOYAPAHIWBEZ-KURKYZTESA-N 2 0 326.525 3.203 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000421882269 309344889 /nfs/dbraw/zinc/34/48/89/309344889.db2.gz RSKSNSXHKLIWBW-UHFFFAOYSA-N 2 0 341.499 3.282 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc(C)n1 ZINC000421888692 309345120 /nfs/dbraw/zinc/34/51/20/309345120.db2.gz UFCDQFLFVKKOFS-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1OCc1ccncc1 ZINC000422698254 309363655 /nfs/dbraw/zinc/36/36/55/309363655.db2.gz YKAXOKCSVHVLRC-CVEARBPZSA-N 2 0 343.471 3.447 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422711401 309364132 /nfs/dbraw/zinc/36/41/32/309364132.db2.gz MRDTURCSIBFLLN-KBPBESRZSA-N 2 0 340.309 3.135 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000422714592 309364500 /nfs/dbraw/zinc/36/45/00/309364500.db2.gz LEMDTRSFBKFLRH-TXPKVOOTSA-N 2 0 343.540 3.043 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422717765 309364603 /nfs/dbraw/zinc/36/46/03/309364603.db2.gz PCKRVPTUNBCLFM-PKOBYXMFSA-N 2 0 329.488 3.422 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000422722371 309364962 /nfs/dbraw/zinc/36/49/62/309364962.db2.gz XNLGSBIDZJFNQA-UONOGXRCSA-N 2 0 344.528 3.008 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723338 309365073 /nfs/dbraw/zinc/36/50/73/309365073.db2.gz RBPWMLIYZMEQJI-HNAYVOBHSA-N 2 0 337.458 3.036 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422734891 309365795 /nfs/dbraw/zinc/36/57/95/309365795.db2.gz URIBHFYTMZUZFE-RCCFBDPRSA-N 2 0 336.907 3.364 20 0 EGADRP Fc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422734776 309365909 /nfs/dbraw/zinc/36/59/09/309365909.db2.gz UAEUIKBGDNYKQM-AZUAARDMSA-N 2 0 326.415 3.214 20 0 EGADRP CC[N@H+](C)Cc1cccc(CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422742508 309366253 /nfs/dbraw/zinc/36/62/53/309366253.db2.gz QBMTWMIYAICHJW-UWJYYQICSA-N 2 0 325.500 3.186 20 0 EGADRP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422755216 309366897 /nfs/dbraw/zinc/36/68/97/309366897.db2.gz FQLXLXPPCUDAAS-WFXMLNOXSA-N 2 0 336.435 3.356 20 0 EGADRP COc1ccccc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422765675 309367179 /nfs/dbraw/zinc/36/71/79/309367179.db2.gz QOMLOXZJIDNPFK-NQIIRXRSSA-N 2 0 338.451 3.083 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)CC[NH2+]CC1 ZINC000422765815 309367223 /nfs/dbraw/zinc/36/72/23/309367223.db2.gz LHIBTVIJQPUQIS-GJZGRUSLSA-N 2 0 344.455 3.405 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422775536 309367626 /nfs/dbraw/zinc/36/76/26/309367626.db2.gz BSNLIZWMHKLQEI-DNVCBOLYSA-N 2 0 341.455 3.490 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422793002 309368481 /nfs/dbraw/zinc/36/84/81/309368481.db2.gz FMKQNRXRBHVEJS-FUHWJXTLSA-N 2 0 344.499 3.247 20 0 EGADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422789751 309368569 /nfs/dbraw/zinc/36/85/69/309368569.db2.gz BNFOXAVDTNWNDW-IPMKNSEASA-N 2 0 329.488 3.291 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Oc1ccc(Br)cc1 ZINC000422798075 309368811 /nfs/dbraw/zinc/36/88/11/309368811.db2.gz PQKGIZSFOSFGEV-DAXOMENPSA-N 2 0 341.293 3.466 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000422798232 309369055 /nfs/dbraw/zinc/36/90/55/309369055.db2.gz QFHCEMCJNJBIDJ-OLZOCXBDSA-N 2 0 329.282 3.324 20 0 EGADRP c1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422802134 309369244 /nfs/dbraw/zinc/36/92/44/309369244.db2.gz AXYMAJWDTDLREO-XUVXKRRUSA-N 2 0 328.500 3.245 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829846 309370685 /nfs/dbraw/zinc/37/06/85/309370685.db2.gz VBAZRXWNWODMRQ-DLBZAZTESA-N 2 0 340.515 3.410 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422829535 309370705 /nfs/dbraw/zinc/37/07/05/309370705.db2.gz USHPYHSKHIQQGB-MJGOQNOKSA-N 2 0 326.488 3.315 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422839662 309371247 /nfs/dbraw/zinc/37/12/47/309371247.db2.gz ABWFXOXOZDZQTB-GRDNDAEWSA-N 2 0 338.442 3.119 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422839664 309371418 /nfs/dbraw/zinc/37/14/18/309371418.db2.gz ABWFXOXOZDZQTB-VBQJREDUSA-N 2 0 338.442 3.119 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843063 309371486 /nfs/dbraw/zinc/37/14/86/309371486.db2.gz GUVNJEGMDDPPDF-WIYYLYMNSA-N 2 0 338.495 3.283 20 0 EGADRP c1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422847525 309371833 /nfs/dbraw/zinc/37/18/33/309371833.db2.gz RNOKHLWGAVXJLA-VAMGGRTRSA-N 2 0 328.500 3.245 20 0 EGADRP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000422848431 309371898 /nfs/dbraw/zinc/37/18/98/309371898.db2.gz TUORTNCSHACAMJ-FGZHOGPDSA-N 2 0 335.495 3.428 20 0 EGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422852365 309372125 /nfs/dbraw/zinc/37/21/25/309372125.db2.gz QNOZEWNLXPFDEF-AKHDSKFASA-N 2 0 343.515 3.032 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+]C3CCC(C[NH3+])CC3)cc2c(OC)c1 ZINC000422863107 309372529 /nfs/dbraw/zinc/37/25/29/309372529.db2.gz LEKJPFCPBMHXIH-UHFFFAOYSA-N 2 0 345.487 3.225 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422865158 309372581 /nfs/dbraw/zinc/37/25/81/309372581.db2.gz OGJGGRCCSMPSKR-HNNXBMFYSA-N 2 0 343.471 3.033 20 0 EGADRP CCOc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1OC(F)F ZINC000422872878 309373042 /nfs/dbraw/zinc/37/30/42/309373042.db2.gz IYAIXVZBBVLJME-UHFFFAOYSA-N 2 0 328.403 3.294 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422878681 309373491 /nfs/dbraw/zinc/37/34/91/309373491.db2.gz JPAMLSYJIHDWID-DBXWQHBBSA-N 3 0 329.532 3.396 20 0 EGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422886351 309374232 /nfs/dbraw/zinc/37/42/32/309374232.db2.gz WLKSAKPOAAJOSJ-CEXWTWQISA-N 2 0 329.488 3.436 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422886916 309374356 /nfs/dbraw/zinc/37/43/56/309374356.db2.gz AACBHWKTCHKDKE-PKOBYXMFSA-N 3 0 333.520 3.014 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000422895397 309374858 /nfs/dbraw/zinc/37/48/58/309374858.db2.gz VWDSSMOHXLVQMZ-ZSYWTGECSA-N 3 0 329.532 3.252 20 0 EGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422899758 309374957 /nfs/dbraw/zinc/37/49/57/309374957.db2.gz IFIZZLXQXOPMHO-UONOGXRCSA-N 2 0 340.895 3.112 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cn2)c1 ZINC000422900956 309375131 /nfs/dbraw/zinc/37/51/31/309375131.db2.gz REKKFWWZOVAVGM-APWZRJJASA-N 2 0 341.455 3.490 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902681 309375152 /nfs/dbraw/zinc/37/51/52/309375152.db2.gz UYNAWNCRAODCNX-HKUYNNGSSA-N 2 0 330.520 3.472 20 0 EGADRP COc1ccc(COCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422904318 309375471 /nfs/dbraw/zinc/37/54/71/309375471.db2.gz GUHJYUQWURQIJZ-VAMGGRTRSA-N 2 0 332.488 3.112 20 0 EGADRP c1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000422909243 309375634 /nfs/dbraw/zinc/37/56/34/309375634.db2.gz FJRQMQGMDSGSFJ-BBWFWOEESA-N 2 0 342.512 3.258 20 0 EGADRP CCOCCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422943734 309377389 /nfs/dbraw/zinc/37/73/89/309377389.db2.gz RGJFDVUDQRVUTO-GHTZIAJQSA-N 2 0 344.499 3.429 20 0 EGADRP CCOCCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422943737 309377444 /nfs/dbraw/zinc/37/74/44/309377444.db2.gz RGJFDVUDQRVUTO-WIYYLYMNSA-N 2 0 344.499 3.429 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000422950569 309377727 /nfs/dbraw/zinc/37/77/27/309377727.db2.gz YJWSULBVJJTTJC-RRWXTXHCSA-N 2 0 337.467 3.474 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422952411 309377869 /nfs/dbraw/zinc/37/78/69/309377869.db2.gz BAIQEGDANSLROC-GFCCVEGCSA-N 2 0 330.501 3.077 20 0 EGADRP COC(=O)CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422957141 309377979 /nfs/dbraw/zinc/37/79/79/309377979.db2.gz MRXWCMDXCKDJEW-KXBFYZLASA-N 2 0 341.455 3.194 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957690 309378322 /nfs/dbraw/zinc/37/83/22/309378322.db2.gz UVUSPDHNAWDQKL-JKSUJKDBSA-N 2 0 330.501 3.387 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422961529 309378512 /nfs/dbraw/zinc/37/85/12/309378512.db2.gz ZBHMZDUZDQZRGF-LSDHHAIUSA-N 2 0 334.851 3.182 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422964901 309378662 /nfs/dbraw/zinc/37/86/62/309378662.db2.gz NAKXPFZPJQQQSZ-HUUCEWRRSA-N 2 0 326.282 3.111 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000422980402 309379240 /nfs/dbraw/zinc/37/92/40/309379240.db2.gz PJJFLEZJWMPCEV-SPUZQDLCSA-N 2 0 340.458 3.124 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000422996653 309379966 /nfs/dbraw/zinc/37/99/66/309379966.db2.gz MPPJAMTVRMNHFU-BXUZGUMPSA-N 2 0 331.685 3.362 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423012165 309380752 /nfs/dbraw/zinc/38/07/52/309380752.db2.gz KENREDGPNHFFJY-ILZDJORESA-N 2 0 341.474 3.343 20 0 EGADRP C[C@@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]1 ZINC000423011107 309380830 /nfs/dbraw/zinc/38/08/30/309380830.db2.gz YZYAQYBMZFCVEP-OXQOHEQNSA-N 2 0 327.472 3.142 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCc2ccccc21 ZINC000423014323 309380948 /nfs/dbraw/zinc/38/09/48/309380948.db2.gz HWKUGQIQPNKKNN-MJUUVYJYSA-N 2 0 328.500 3.027 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423013070 309380973 /nfs/dbraw/zinc/38/09/73/309380973.db2.gz LZVGKYVSEOQYCT-KKSFZXQISA-N 2 0 334.467 3.135 20 0 EGADRP Clc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423020429 309381409 /nfs/dbraw/zinc/38/14/09/309381409.db2.gz BKJFTMABGWXFQN-FHLIZLRMSA-N 2 0 334.891 3.118 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423025205 309381500 /nfs/dbraw/zinc/38/15/00/309381500.db2.gz NNNZENOLPLCXAO-PBFPGSCMSA-N 2 0 325.859 3.036 20 0 EGADRP CC(C)N1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423036623 309382248 /nfs/dbraw/zinc/38/22/48/309382248.db2.gz ATPHNNBXNDRTAR-JEBQAFNWSA-N 2 0 325.447 3.206 20 0 EGADRP Cc1csc([C@H](C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423041685 309382640 /nfs/dbraw/zinc/38/26/40/309382640.db2.gz XRRIBKKQMDUOKK-AZOIQLNYSA-N 2 0 343.496 3.401 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423068010 309384147 /nfs/dbraw/zinc/38/41/47/309384147.db2.gz JETTYHLURKCKRJ-DOIPELPJSA-N 2 0 330.516 3.248 20 0 EGADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423081947 309384928 /nfs/dbraw/zinc/38/49/28/309384928.db2.gz VZIJVWSOTGCGDQ-DOIPELPJSA-N 2 0 330.516 3.128 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423103202 309386031 /nfs/dbraw/zinc/38/60/31/309386031.db2.gz KYZHCBMFJDRLNB-GHMZBOCLSA-N 2 0 329.307 3.402 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093868 309385636 /nfs/dbraw/zinc/38/56/36/309385636.db2.gz IUEHOKMUMVVNAK-CZUORRHYSA-N 2 0 330.394 3.148 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccc1I ZINC000423092815 309385657 /nfs/dbraw/zinc/38/56/57/309385657.db2.gz DOGCSRMAPAYEPM-GFCCVEGCSA-N 2 0 346.256 3.207 20 0 EGADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423110301 309386569 /nfs/dbraw/zinc/38/65/69/309386569.db2.gz PCKASQKSWPMGSC-QYRPDUKASA-N 2 0 346.515 3.324 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CCCC2)c(C)c1 ZINC000423128445 309387502 /nfs/dbraw/zinc/38/75/02/309387502.db2.gz CYBRZNZZSJNXKF-QWFCFKBJSA-N 2 0 330.516 3.457 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423142464 309388233 /nfs/dbraw/zinc/38/82/33/309388233.db2.gz VHMDVKIBJUEDPK-HQRMLTQVSA-N 2 0 341.474 3.200 20 0 EGADRP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423160572 309388788 /nfs/dbraw/zinc/38/87/88/309388788.db2.gz ZSTDFMBEHAFQGX-GTHQTRTESA-N 2 0 339.252 3.448 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000423165511 309389024 /nfs/dbraw/zinc/38/90/24/309389024.db2.gz YFCWEWBLLXTYAY-VDSRIPIWSA-N 2 0 330.394 3.236 20 0 EGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423186412 309389606 /nfs/dbraw/zinc/38/96/06/309389606.db2.gz OAKOQEJCTAECDJ-QGZVFWFLSA-N 2 0 342.531 3.109 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249326 309392260 /nfs/dbraw/zinc/39/22/60/309392260.db2.gz OQMLNCYDLVBSHH-WFASDCNBSA-N 2 0 339.277 3.252 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423259592 309392831 /nfs/dbraw/zinc/39/28/31/309392831.db2.gz OLJRQSNOXPMJHZ-HUUCEWRRSA-N 2 0 330.476 3.011 20 0 EGADRP COc1ccc(C[C@H]([NH2+]C[C@@H](C)C[NH3+])c2ccc(OC)cc2)cc1 ZINC000423294082 309394379 /nfs/dbraw/zinc/39/43/79/309394379.db2.gz BGDLSVASSSZIKI-YWZLYKJASA-N 2 0 328.456 3.172 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423325327 309395183 /nfs/dbraw/zinc/39/51/83/309395183.db2.gz JLMXFBKTKOLMDX-JTQLQIEISA-N 2 0 330.245 3.024 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423322579 309395189 /nfs/dbraw/zinc/39/51/89/309395189.db2.gz IVYVHKCZLUQDCV-UZLBHIALSA-N 2 0 337.467 3.101 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423328140 309395354 /nfs/dbraw/zinc/39/53/54/309395354.db2.gz AGBCFPZUYHHWSZ-CQSZACIVSA-N 2 0 325.225 3.085 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H](C)[NH3+] ZINC000423342650 309396090 /nfs/dbraw/zinc/39/60/90/309396090.db2.gz VDZLEJWRBJEPIQ-QKLQHJQFSA-N 2 0 345.531 3.297 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423344171 309396266 /nfs/dbraw/zinc/39/62/66/309396266.db2.gz NYOADPSOKDRCBD-LEWJYISDSA-N 2 0 339.483 3.353 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H](C)[NH3+] ZINC000423346571 309396384 /nfs/dbraw/zinc/39/63/84/309396384.db2.gz YRJCJMMYAYGIMH-APWZRJJASA-N 2 0 331.504 3.476 20 0 EGADRP Brc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCS2 ZINC000423348448 309396468 /nfs/dbraw/zinc/39/64/68/309396468.db2.gz UCTQBPSFTAEZQM-AWEZNQCLSA-N 2 0 339.302 3.495 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423357236 309396840 /nfs/dbraw/zinc/39/68/40/309396840.db2.gz LYAGSXOMFZMMHI-JSXRDJHFSA-N 2 0 327.516 3.019 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423368995 309397291 /nfs/dbraw/zinc/39/72/91/309397291.db2.gz DQRZDPAUTCLJOB-LJQANCHMSA-N 2 0 340.467 3.418 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(I)cc1 ZINC000423369176 309397446 /nfs/dbraw/zinc/39/74/46/309397446.db2.gz FQQYDUUVWZEVME-SUNKGSAMSA-N 2 0 344.240 3.082 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000423371290 309397600 /nfs/dbraw/zinc/39/76/00/309397600.db2.gz FHYWICKLGXWDAG-RDJZCZTQSA-N 2 0 331.504 3.010 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423381709 309397894 /nfs/dbraw/zinc/39/78/94/309397894.db2.gz OLWQYPDAZFDBLQ-VKJFTORMSA-N 2 0 332.492 3.351 20 0 EGADRP C[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000423393331 309398485 /nfs/dbraw/zinc/39/84/85/309398485.db2.gz QZJCXERMRBSQRH-APWZRJJASA-N 2 0 333.520 3.056 20 0 EGADRP COCC1(C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000423406054 309398954 /nfs/dbraw/zinc/39/89/54/309398954.db2.gz KDESWKDRCJNXPS-CQSZACIVSA-N 2 0 344.421 3.242 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423422100 309399660 /nfs/dbraw/zinc/39/96/60/309399660.db2.gz CSBWXGBKCBKJSX-STQMWFEESA-N 2 0 335.883 3.397 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423434826 309400261 /nfs/dbraw/zinc/40/02/61/309400261.db2.gz YGMNIVUQMBXXTO-KZNAEPCWSA-N 3 0 333.520 3.043 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423490027 309402741 /nfs/dbraw/zinc/40/27/41/309402741.db2.gz HGXVBDQMZUDNAS-HDMKZQKVSA-N 2 0 332.492 3.338 20 0 EGADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000423494750 309403005 /nfs/dbraw/zinc/40/30/05/309403005.db2.gz AZOKUKXRLVASRJ-KXBFYZLASA-N 2 0 346.496 3.221 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536715 309405478 /nfs/dbraw/zinc/40/54/78/309405478.db2.gz IGKGEOILVHPMQN-LBPRGKRZSA-N 2 0 327.291 3.397 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nc2ccc(Cl)cc2n1C ZINC000423541711 309405716 /nfs/dbraw/zinc/40/57/16/309405716.db2.gz LMHYDEIABCXAQA-KYEXWDHISA-N 2 0 332.879 3.265 20 0 EGADRP CCC(CC)[C@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424021878 309425787 /nfs/dbraw/zinc/42/57/87/309425787.db2.gz RVLUEIGXHCXNFV-KRWDZBQOSA-N 2 0 345.531 3.168 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000424267382 309435233 /nfs/dbraw/zinc/43/52/33/309435233.db2.gz YEBJEZPDHWTGQL-UHFFFAOYSA-N 2 0 330.472 3.104 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427288094 309526440 /nfs/dbraw/zinc/52/64/40/309526440.db2.gz NVBIXYAJCBLUJD-LJQANCHMSA-N 2 0 345.531 3.137 20 0 EGADRP CCCc1nc(C)c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000428249223 309545843 /nfs/dbraw/zinc/54/58/43/309545843.db2.gz XELMQBSNFDWNPE-HOTGVXAUSA-N 2 0 349.519 3.257 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000428580505 309555877 /nfs/dbraw/zinc/55/58/77/309555877.db2.gz HZTBHVIGCLQQKG-UHFFFAOYSA-N 2 0 337.467 3.257 20 0 EGADRP CCOc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cs2)cc1 ZINC000430625031 309613335 /nfs/dbraw/zinc/61/33/35/309613335.db2.gz KARQXMHAQAUAAU-UHFFFAOYSA-N 2 0 331.485 3.380 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430964986 309622227 /nfs/dbraw/zinc/62/22/27/309622227.db2.gz HDRXRWUEOMWSML-HOTGVXAUSA-N 2 0 339.483 3.076 20 0 EGADRP CC[C@H](C)Oc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433137544 309679829 /nfs/dbraw/zinc/67/98/29/309679829.db2.gz OQXXRSSBWHYRTL-HNNXBMFYSA-N 2 0 333.476 3.006 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000437022197 309785730 /nfs/dbraw/zinc/78/57/30/309785730.db2.gz NNNWGDJPMJJJFN-FUHWJXTLSA-N 2 0 332.488 3.094 20 0 EGADRP c1ccc(C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cccnc2)nc1 ZINC000447556368 309982108 /nfs/dbraw/zinc/98/21/08/309982108.db2.gz GBOSSHGEMNVSAU-OAQYLSRUSA-N 2 0 336.483 3.224 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000448234797 310000645 /nfs/dbraw/zinc/00/06/45/310000645.db2.gz RHQHYAPRCJZNGE-LSTHTHJFSA-N 2 0 337.467 3.028 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)O[C@H]3C)CC2)c1 ZINC000449072700 310034735 /nfs/dbraw/zinc/03/47/35/310034735.db2.gz KWCMHXKQZBTNER-SVFBPWRDSA-N 2 0 345.531 3.053 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)Cc1coc2ccccc12)N1CC[NH+](C)CC1 ZINC000449074294 310034890 /nfs/dbraw/zinc/03/48/90/310034890.db2.gz KGFXMAJOGYLNCH-PXNSSMCTSA-N 2 0 343.515 3.225 20 0 EGADRP COc1cc(C)ccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000449093172 310036510 /nfs/dbraw/zinc/03/65/10/310036510.db2.gz WHZBIZBBENKYGC-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000449139277 310039694 /nfs/dbraw/zinc/03/96/94/310039694.db2.gz AIQLYRMTTIQOOR-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000449145186 310040242 /nfs/dbraw/zinc/04/02/42/310040242.db2.gz KTSOIHWHPKWGIR-QFBILLFUSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000449273505 310049344 /nfs/dbraw/zinc/04/93/44/310049344.db2.gz YXWHQSIOFCVAIJ-QYRPDUKASA-N 2 0 328.500 3.239 20 0 EGADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332094 310054164 /nfs/dbraw/zinc/05/41/64/310054164.db2.gz QALQSUQITUONJE-ROUUACIJSA-N 2 0 330.472 3.154 20 0 EGADRP CSC1(C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC[NH+](C)CC1 ZINC000449335289 310054313 /nfs/dbraw/zinc/05/43/13/310054313.db2.gz KSZKEMRDURLFPL-CYBMUJFWSA-N 2 0 328.472 3.485 20 0 EGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1cccc(F)c1 ZINC000449363990 310056939 /nfs/dbraw/zinc/05/69/39/310056939.db2.gz QTOHOKYOCHGUDQ-HXUWFJFHSA-N 2 0 334.479 3.116 20 0 EGADRP CCOc1cc2[nH+]ccc(N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c2cc1OCC ZINC000450782232 310142274 /nfs/dbraw/zinc/14/22/74/310142274.db2.gz WQJSUSCAQHWUTF-KBXCAEBGSA-N 2 0 341.455 3.173 20 0 EGADRP CO[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561651 310186518 /nfs/dbraw/zinc/18/65/18/310186518.db2.gz IHCKGAIJULOCCS-BTFXCVNISA-N 2 0 338.536 3.036 20 0 EGADRP OCCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453106380 310258416 /nfs/dbraw/zinc/25/84/16/310258416.db2.gz YTLHQHNNIPOMLT-XUVXKRRUSA-N 2 0 348.556 3.135 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000453194779 310263386 /nfs/dbraw/zinc/26/33/86/310263386.db2.gz ICACOMVRXUGNSY-DNVCBOLYSA-N 2 0 330.497 3.474 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000453197568 310263494 /nfs/dbraw/zinc/26/34/94/310263494.db2.gz NEVGIHOXPKVPBS-RTWAWAEBSA-N 2 0 339.483 3.279 20 0 EGADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000453209879 310264179 /nfs/dbraw/zinc/26/41/79/310264179.db2.gz BYCAVUFAUPZLSB-MRXNPFEDSA-N 2 0 329.444 3.103 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H](C)C1 ZINC000453297664 310269761 /nfs/dbraw/zinc/26/97/61/310269761.db2.gz VEMBLAOPXDRCKP-ZWKOTPCHSA-N 2 0 333.520 3.086 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000453310624 310270451 /nfs/dbraw/zinc/27/04/51/310270451.db2.gz FTESBLQJGQXSKT-QYZOEREBSA-N 2 0 338.536 3.062 20 0 EGADRP C[C@H](Cc1cnn(C)c1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453326981 310271141 /nfs/dbraw/zinc/27/11/41/310271141.db2.gz AUQFONXWJVLDRL-MDMXATFFSA-N 2 0 340.515 3.384 20 0 EGADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000453407399 310275433 /nfs/dbraw/zinc/27/54/33/310275433.db2.gz PSWATEGABIYURY-WRTQPQOASA-N 2 0 328.500 3.444 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453590378 310283131 /nfs/dbraw/zinc/28/31/31/310283131.db2.gz ORMDKHXFKJBJBU-UHFFFAOYSA-N 2 0 337.458 3.354 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC3(C)CC[NH+](C)CC3)ccc21 ZINC000455864534 310380073 /nfs/dbraw/zinc/38/00/73/310380073.db2.gz TUXMLCPCSVAMPU-GOSISDBHSA-N 2 0 344.503 3.089 20 0 EGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000455901726 310381730 /nfs/dbraw/zinc/38/17/30/310381730.db2.gz GDLKGMQAMANSIB-KDOFPFPSSA-N 2 0 346.519 3.333 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455936480 310382806 /nfs/dbraw/zinc/38/28/06/310382806.db2.gz RZFZSOORVDXKTF-HKUYNNGSSA-N 2 0 344.503 3.184 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@H]1SC ZINC000459434361 310552364 /nfs/dbraw/zinc/55/23/64/310552364.db2.gz UTPLIUUPSJBFQY-RCCFBDPRSA-N 2 0 328.566 3.243 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CCc1cccc(Cl)c1 ZINC000459573435 310561598 /nfs/dbraw/zinc/56/15/98/310561598.db2.gz WMLZAGUBXYUNIV-UHFFFAOYSA-N 2 0 347.890 3.398 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000474481605 310794632 /nfs/dbraw/zinc/79/46/32/310794632.db2.gz YIYBZOBMPPNQOJ-VWYCLODISA-N 2 0 338.536 3.456 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000487041286 311008101 /nfs/dbraw/zinc/00/81/01/311008101.db2.gz WSXOZVZOUVGUJM-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C[NH+](C)C ZINC000491590242 311186040 /nfs/dbraw/zinc/18/60/40/311186040.db2.gz YMHJTYJWRVULTE-CYBMUJFWSA-N 2 0 340.393 3.178 20 0 EGADRP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349846 311240613 /nfs/dbraw/zinc/24/06/13/311240613.db2.gz HRDRHWJCGQGNOW-CTNGQTDRSA-N 2 0 329.532 3.219 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000493901743 311443797 /nfs/dbraw/zinc/44/37/97/311443797.db2.gz WQSIBDSVZRDTFT-UWJYYQICSA-N 2 0 342.483 3.493 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000495687281 311596496 /nfs/dbraw/zinc/59/64/96/311596496.db2.gz JXFLHIPUOAOERF-OOHWJJMZSA-N 2 0 331.460 3.167 20 0 EGADRP CC(C)(C)OC(=O)NCC1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000496546080 311728562 /nfs/dbraw/zinc/72/85/62/311728562.db2.gz BKRZXUDCXMNBIQ-UHFFFAOYSA-N 2 0 339.524 3.145 20 0 EGADRP C[C@H](NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709145 312100241 /nfs/dbraw/zinc/10/02/41/312100241.db2.gz FWFJCBYOJGYCOJ-ICSRJNTNSA-N 3 0 329.532 3.361 20 0 EGADRP c1ccc2cc(CC[NH+]3CCC(C[NH+]4CCOCC4)CC3)ccc2c1 ZINC000511632080 312165096 /nfs/dbraw/zinc/16/50/96/312165096.db2.gz WEVUOHDFAGJVBA-UHFFFAOYSA-N 2 0 338.495 3.427 20 0 EGADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512636683 312191100 /nfs/dbraw/zinc/19/11/00/312191100.db2.gz NFLHYYCYTNVKQC-HSALFYBXSA-N 2 0 330.516 3.428 20 0 EGADRP CCn1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000513500618 312212276 /nfs/dbraw/zinc/21/22/76/312212276.db2.gz NMYCHKXQALOCFO-PKOBYXMFSA-N 2 0 326.488 3.293 20 0 EGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000514862839 312250447 /nfs/dbraw/zinc/25/04/47/312250447.db2.gz KVUWERXFMALFBL-NVXWUHKLSA-N 2 0 344.503 3.039 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000515176560 312269499 /nfs/dbraw/zinc/26/94/99/312269499.db2.gz VHHPJFVRLJOSDK-HNNXBMFYSA-N 2 0 325.456 3.215 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000515302046 312275280 /nfs/dbraw/zinc/27/52/80/312275280.db2.gz INBOLSGTUGVFTM-SFHVURJKSA-N 2 0 346.519 3.155 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1OC ZINC000515556596 312289356 /nfs/dbraw/zinc/28/93/56/312289356.db2.gz LZSQXDYWTNOADQ-DOTOQJQBSA-N 2 0 334.504 3.263 20 0 EGADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000516179441 312312858 /nfs/dbraw/zinc/31/28/58/312312858.db2.gz RPVTZMHKZMCNEN-HDICACEKSA-N 2 0 336.520 3.053 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)cc2)CC1 ZINC000516185301 312313254 /nfs/dbraw/zinc/31/32/54/312313254.db2.gz YWMHKUXABDAECE-HXUWFJFHSA-N 2 0 343.515 3.067 20 0 EGADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000516548881 312328890 /nfs/dbraw/zinc/32/88/90/312328890.db2.gz LKRLPUGFZDOLED-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000516847758 312344567 /nfs/dbraw/zinc/34/45/67/312344567.db2.gz AZYCBKLOFLGQQW-UHFFFAOYSA-N 2 0 330.451 3.048 20 0 EGADRP Brc1cccc2c1C[C@@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000521278860 312540341 /nfs/dbraw/zinc/54/03/41/312540341.db2.gz SJMHNTCHWGJEQK-HNNXBMFYSA-N 2 0 337.305 3.382 20 0 EGADRP CCc1ccccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000526083375 312791034 /nfs/dbraw/zinc/79/10/34/312791034.db2.gz NXUPLNRRMRNDIB-RTBURBONSA-N 2 0 329.532 3.239 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528356670 313072493 /nfs/dbraw/zinc/07/24/93/313072493.db2.gz PUALVSDHRMIXED-FQEVSTJZSA-N 2 0 336.495 3.437 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536489878 314117617 /nfs/dbraw/zinc/11/76/17/314117617.db2.gz BZNHXYVFQLPSDX-LJQANCHMSA-N 2 0 335.923 3.335 20 0 EGADRP CC[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000536709315 314140524 /nfs/dbraw/zinc/14/05/24/314140524.db2.gz AQIXAZJUJQMGMM-PZJWPPBQSA-N 2 0 329.532 3.281 20 0 EGADRP CC[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000538389697 314243558 /nfs/dbraw/zinc/24/35/58/314243558.db2.gz ILULQUNMLDOZBT-LJQANCHMSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000539405296 314311225 /nfs/dbraw/zinc/31/12/25/314311225.db2.gz SSVDIAAQWXKVFE-AYWYSENESA-N 2 0 330.516 3.439 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000539405791 314312149 /nfs/dbraw/zinc/31/21/49/314312149.db2.gz MVVKHJQZNBPPSN-RBBKRZOGSA-N 2 0 343.559 3.356 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539825023 314342763 /nfs/dbraw/zinc/34/27/63/314342763.db2.gz OODBHYLETUCXDM-FQEVSTJZSA-N 2 0 345.531 3.076 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000542674315 314568540 /nfs/dbraw/zinc/56/85/40/314568540.db2.gz QFEMHGMVZAZQPZ-BEFAXECRSA-N 2 0 335.923 3.333 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000548389494 315002524 /nfs/dbraw/zinc/00/25/24/315002524.db2.gz BMKDLHSDBLHYPR-UHFFFAOYSA-N 2 0 331.504 3.384 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000551006629 315139592 /nfs/dbraw/zinc/13/95/92/315139592.db2.gz HEYBUTBBRMJYKK-UZLBHIALSA-N 2 0 349.950 3.277 20 0 EGADRP Clc1cccc2c(N3CCC(C[NH+]4CCOCC4)CC3)ccnc12 ZINC000552958961 315238912 /nfs/dbraw/zinc/23/89/12/315238912.db2.gz KMPLUOAOEHFLCE-UHFFFAOYSA-N 2 0 345.874 3.437 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+]1CC(C)C1 ZINC000553327890 315258339 /nfs/dbraw/zinc/25/83/39/315258339.db2.gz VIVVYTGPDYYLQS-ROUUACIJSA-N 2 0 343.515 3.017 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000553545227 315269405 /nfs/dbraw/zinc/26/94/05/315269405.db2.gz RLLJAFPXIVMYIT-UHFFFAOYSA-N 2 0 339.483 3.413 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000553781148 315281739 /nfs/dbraw/zinc/28/17/39/315281739.db2.gz ALOXJLBNLOFFPJ-CEXWTWQISA-N 2 0 337.552 3.077 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554083512 315297325 /nfs/dbraw/zinc/29/73/25/315297325.db2.gz UQNHIDISNGIHMO-LEWJYISDSA-N 2 0 328.500 3.482 20 0 EGADRP CCc1[nH+]c2ccccc2c(NCC2([NH+](C)C)CCOCC2)c1C ZINC000554545089 315330086 /nfs/dbraw/zinc/33/00/86/315330086.db2.gz ZPKDGOASBLWWAF-UHFFFAOYSA-N 2 0 327.472 3.050 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000555584480 315392367 /nfs/dbraw/zinc/39/23/67/315392367.db2.gz QXTUAHGWFBQPFW-WMZOPIPTSA-N 2 0 336.520 3.353 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC000563060443 315951911 /nfs/dbraw/zinc/95/19/11/315951911.db2.gz GMBSMFWRCSISDG-DJIMGWMZSA-N 2 0 337.533 3.155 20 0 EGADRP Cc1nc([C@@H](C)N2CCCO[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670213 316053198 /nfs/dbraw/zinc/05/31/98/316053198.db2.gz MYSYZZVWPBWRIH-CJNGLKHVSA-N 2 0 349.862 3.414 20 0 EGADRP COc1ccc([C@@H](CNc2cc[nH+]cc2C)[NH+]2CCCCC2)cc1 ZINC000564240359 316127429 /nfs/dbraw/zinc/12/74/29/316127429.db2.gz YFKFOLJTMNLTAS-HXUWFJFHSA-N 2 0 325.456 3.460 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[NH2+]Cc4ccccc43)n2)cc1 ZINC000564727347 316195631 /nfs/dbraw/zinc/19/56/31/316195631.db2.gz UKZQQTFQKZTWDG-GOSISDBHSA-N 2 0 334.423 3.033 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000564973848 316240340 /nfs/dbraw/zinc/24/03/40/316240340.db2.gz YGECAKDVUFXTFA-GHMZBOCLSA-N 2 0 326.366 3.311 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000565449091 316325171 /nfs/dbraw/zinc/32/51/71/316325171.db2.gz FMGZTFDQOYNCLS-HXUWFJFHSA-N 2 0 343.559 3.215 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000565828646 316375034 /nfs/dbraw/zinc/37/50/34/316375034.db2.gz XNETTXPUFXSKPW-YOEHRIQHSA-N 2 0 344.421 3.321 20 0 EGADRP Fc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000566229488 316439684 /nfs/dbraw/zinc/43/96/84/316439684.db2.gz DBKUDIJFBRLQOH-CQSZACIVSA-N 2 0 328.378 3.249 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1F ZINC000569351142 316901795 /nfs/dbraw/zinc/90/17/95/316901795.db2.gz OWURQEYXJYMPHP-UHFFFAOYSA-N 2 0 329.419 3.006 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000570386514 317047263 /nfs/dbraw/zinc/04/72/63/317047263.db2.gz WAOBUVXLJVAVKW-SESVDKBCSA-N 2 0 330.516 3.176 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1CC1CC[NH2+]CC1 ZINC000570785673 317107743 /nfs/dbraw/zinc/10/77/43/317107743.db2.gz KTHSKUMVSVSESR-UHFFFAOYSA-N 2 0 335.451 3.084 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000570797920 317109837 /nfs/dbraw/zinc/10/98/37/317109837.db2.gz PBIOFDMTLNCJEG-NSHGMRRFSA-N 2 0 345.531 3.341 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000571164569 317159783 /nfs/dbraw/zinc/15/97/83/317159783.db2.gz NOADXJQUYUGRAC-HXUWFJFHSA-N 2 0 335.451 3.283 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000571652001 317228669 /nfs/dbraw/zinc/22/86/69/317228669.db2.gz QAEAYTGXLHBUBX-RPVQJOFSSA-N 2 0 349.906 3.343 20 0 EGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1cccc(Cl)c1 ZINC000572631745 317367109 /nfs/dbraw/zinc/36/71/09/317367109.db2.gz FLPIPMOWRMSUGR-IBGZPJMESA-N 2 0 336.907 3.240 20 0 EGADRP Cc1cccc(OC[C@H](O)C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000573084446 317435179 /nfs/dbraw/zinc/43/51/79/317435179.db2.gz VVPGSMDHWMIWLG-VAMGGRTRSA-N 2 0 348.531 3.082 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000573191535 317449878 /nfs/dbraw/zinc/44/98/78/317449878.db2.gz LDKWEZGPAFQHPY-INIZCTEOSA-N 2 0 335.467 3.399 20 0 EGADRP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000574332871 317587171 /nfs/dbraw/zinc/58/71/71/317587171.db2.gz WNLILNVCQHDMAR-KRWDZBQOSA-N 2 0 345.531 3.123 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)CC1CCCCC1 ZINC000574564453 317612215 /nfs/dbraw/zinc/61/22/15/317612215.db2.gz KVAGWQFDIYDDJF-WOJBJXKFSA-N 2 0 343.515 3.237 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192775565 323825514 /nfs/dbraw/zinc/82/55/14/323825514.db2.gz JVRQGVVBXNAWAC-MRXNPFEDSA-N 2 0 334.508 3.386 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382731087 324252841 /nfs/dbraw/zinc/25/28/41/324252841.db2.gz BAKFVUDVFUGJOX-PKOBYXMFSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000382778699 324253849 /nfs/dbraw/zinc/25/38/49/324253849.db2.gz YFFKNOXWLFITRF-VQHPVUNQSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[C@@H]1CCCC[NH+]1C ZINC000397985285 324294652 /nfs/dbraw/zinc/29/46/52/324294652.db2.gz ODTYVCMIDANMRG-HLAWJBBLSA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000579099899 325062497 /nfs/dbraw/zinc/06/24/97/325062497.db2.gz JXNVMIGCXNBYSY-ARFHVFGLSA-N 2 0 337.895 3.177 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000579255109 325086047 /nfs/dbraw/zinc/08/60/47/325086047.db2.gz NRSQXPRTLDCBEJ-PMACEKPBSA-N 2 0 346.515 3.072 20 0 EGADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1F ZINC000579717571 325150025 /nfs/dbraw/zinc/15/00/25/325150025.db2.gz DHJDPMSXZPBTSN-CABCVRRESA-N 2 0 347.409 3.441 20 0 EGADRP FC(F)(F)c1ccccc1[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000580893157 325306133 /nfs/dbraw/zinc/30/61/33/325306133.db2.gz IVAXJWJGUIOOBG-KRWDZBQOSA-N 2 0 341.421 3.138 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1([NH3+])CCCCC1 ZINC000581254822 325346628 /nfs/dbraw/zinc/34/66/28/325346628.db2.gz RSKNSDAFWBAJSH-UHFFFAOYSA-N 2 0 347.528 3.144 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000581737014 325387655 /nfs/dbraw/zinc/38/76/55/325387655.db2.gz SBGCTKNUVSXBSW-UHIISALHSA-N 2 0 336.785 3.252 20 0 EGADRP Fc1ccc(Br)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401162405 457523513 /nfs/dbraw/zinc/52/35/13/457523513.db2.gz UASARTKGAUQUIY-MISXGVKJSA-N 2 0 327.241 3.066 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000444638745 457925512 /nfs/dbraw/zinc/92/55/12/457925512.db2.gz LSAOOWLUYSTNPL-GASCZTMLSA-N 2 0 326.525 3.248 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183184830 455246211 /nfs/dbraw/zinc/24/62/11/455246211.db2.gz YULRGIMLWWNZHB-HOJAQTOUSA-N 2 0 330.516 3.487 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183222820 455254072 /nfs/dbraw/zinc/25/40/72/455254072.db2.gz ZUPWDXUIXYTXED-OAHLLOKOSA-N 2 0 325.447 3.033 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCn1ccnc1 ZINC000189954154 455259489 /nfs/dbraw/zinc/25/94/89/455259489.db2.gz URISGUPAKDVOJI-QZTJIDSGSA-N 3 0 326.488 3.019 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000264707449 455267906 /nfs/dbraw/zinc/26/79/06/455267906.db2.gz ANRQWWQCEPDUPT-CYBMUJFWSA-N 2 0 348.459 3.062 20 0 EGADRP CCn1nccc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693517 455357903 /nfs/dbraw/zinc/35/79/03/455357903.db2.gz BVTJWNUBEDAENI-PKOBYXMFSA-N 2 0 326.488 3.388 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081636066 453898747 /nfs/dbraw/zinc/89/87/47/453898747.db2.gz BUMDUWPCZWQIIB-SFHVURJKSA-N 2 0 332.488 3.128 20 0 EGADRP [NH3+]CC1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000044513791 454104954 /nfs/dbraw/zinc/10/49/54/454104954.db2.gz KHKWZFZSBPJMJL-UHFFFAOYSA-N 2 0 347.684 3.152 20 0 EGADRP Cc1c2ccccc2oc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000057157419 454108087 /nfs/dbraw/zinc/10/80/87/454108087.db2.gz UYUHBUMYKRZURM-UHFFFAOYSA-N 2 0 345.487 3.087 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000089427123 454148120 /nfs/dbraw/zinc/14/81/20/454148120.db2.gz DUDBUYOIKJFACX-OAQYLSRUSA-N 3 0 329.532 3.315 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000070534415 454169278 /nfs/dbraw/zinc/16/92/78/454169278.db2.gz HHCQFGBXCIOUCL-LBPRGKRZSA-N 2 0 327.266 3.019 20 0 EGADRP CCn1nccc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000119336824 454188353 /nfs/dbraw/zinc/18/83/53/454188353.db2.gz VEYRPNGDIZWOBN-UHFFFAOYSA-N 2 0 338.455 3.418 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000119630821 454209468 /nfs/dbraw/zinc/20/94/68/454209468.db2.gz UUCSBRUZNCVISE-UHFFFAOYSA-N 2 0 327.472 3.064 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000131291547 454245587 /nfs/dbraw/zinc/24/55/87/454245587.db2.gz QVOFIPGVAFAGSM-KBPBESRZSA-N 2 0 345.329 3.134 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000120402092 454296980 /nfs/dbraw/zinc/29/69/80/454296980.db2.gz AOTGQIYTQCGUQI-NRFANRHFSA-N 2 0 341.474 3.142 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1N(C)C ZINC000090522899 454316503 /nfs/dbraw/zinc/31/65/03/454316503.db2.gz QIJJKSVPXKLLCC-CZAAIQMYSA-N 2 0 345.531 3.171 20 0 EGADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132308838 454328818 /nfs/dbraw/zinc/32/88/18/454328818.db2.gz TVTYORKRFRLSPX-HKUYNNGSSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](O)Cc1ccccc1 ZINC000090655762 454332297 /nfs/dbraw/zinc/33/22/97/454332297.db2.gz VKEFSOGDFAFJJF-UWJYYQICSA-N 2 0 330.516 3.365 20 0 EGADRP O[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCc2ccccc21 ZINC000090795631 454340740 /nfs/dbraw/zinc/34/07/40/454340740.db2.gz QAVJSHNSIZVGHJ-NRFANRHFSA-N 2 0 328.500 3.207 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120863228 454358333 /nfs/dbraw/zinc/35/83/33/454358333.db2.gz LWBCHMPRACHDIK-RDJZCZTQSA-N 2 0 329.488 3.275 20 0 EGADRP c1cc2c(s1)CCN(CC[NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000132826677 454368407 /nfs/dbraw/zinc/36/84/07/454368407.db2.gz DPGMAMTXRVKJGU-UHFFFAOYSA-N 2 0 347.572 3.493 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000120950460 454368907 /nfs/dbraw/zinc/36/89/07/454368907.db2.gz WQRPJRXUGIPGPK-ZIAGYGMSSA-N 2 0 327.875 3.013 20 0 EGADRP CC(C)[NH+](CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000079121905 454371458 /nfs/dbraw/zinc/37/14/58/454371458.db2.gz YIWGVGDQVJWRND-GOSISDBHSA-N 2 0 340.556 3.059 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CCC([N@H+](C)CCCO)CC2)c1C ZINC000097085961 454404482 /nfs/dbraw/zinc/40/44/82/454404482.db2.gz OWDLAVHVMUCEDZ-UHFFFAOYSA-N 2 0 327.472 3.135 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000121231898 454409180 /nfs/dbraw/zinc/40/91/80/454409180.db2.gz OTNQRKYWPGHLAV-KBPBESRZSA-N 2 0 343.437 3.028 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285038 454422788 /nfs/dbraw/zinc/42/27/88/454422788.db2.gz LWQZMISOCSWNGQ-FQEVSTJZSA-N 2 0 333.520 3.010 20 0 EGADRP CC(C)[N@@H+]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000073334343 454423576 /nfs/dbraw/zinc/42/35/76/454423576.db2.gz HYSAOJABUYYQLR-UHFFFAOYSA-N 2 0 338.455 3.382 20 0 EGADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C(C)C)cc1 ZINC000091333134 454427783 /nfs/dbraw/zinc/42/77/83/454427783.db2.gz QWSQFEFGHBAIFS-NRFANRHFSA-N 2 0 347.547 3.256 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000073549299 454449452 /nfs/dbraw/zinc/44/94/52/454449452.db2.gz FZOVHWJGXDIMTR-UHFFFAOYSA-N 2 0 345.531 3.263 20 0 EGADRP CC[N@H+](CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000133644171 454450097 /nfs/dbraw/zinc/45/00/97/454450097.db2.gz JGFZCQMWZKZKMI-UHFFFAOYSA-N 2 0 346.563 3.037 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073947360 454505410 /nfs/dbraw/zinc/50/54/10/454505410.db2.gz LKXRNPOZMUMXEQ-KXBFYZLASA-N 2 0 338.455 3.237 20 0 EGADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000074189249 454541848 /nfs/dbraw/zinc/54/18/48/454541848.db2.gz RQNZHGDEJGEFFI-GOSISDBHSA-N 2 0 343.515 3.163 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCCSC2)CC1 ZINC000092406049 454562742 /nfs/dbraw/zinc/56/27/42/454562742.db2.gz XNQJNTBNTIAYOO-CQSZACIVSA-N 2 0 339.936 3.077 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000191171313 455457854 /nfs/dbraw/zinc/45/78/54/455457854.db2.gz DFTVJYHLQMPYBV-AWEZNQCLSA-N 2 0 329.941 3.470 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123170566 454610472 /nfs/dbraw/zinc/61/04/72/454610472.db2.gz WVHNFORIRHSYEJ-SFTDATJTSA-N 2 0 343.559 3.432 20 0 EGADRP CCCOc1cc(C[NH2+]C[C@H](C)Cn2ccnc2C)ccc1OC ZINC000105443671 454639183 /nfs/dbraw/zinc/63/91/83/454639183.db2.gz SXXSXLMDOFEKOW-HNNXBMFYSA-N 2 0 331.460 3.415 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000634999411 460645386 /nfs/dbraw/zinc/64/53/86/460645386.db2.gz UKEVIUHNGMDLTA-QFBILLFUSA-N 2 0 340.467 3.301 20 0 EGADRP CN(C)C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000635005544 460648431 /nfs/dbraw/zinc/64/84/31/460648431.db2.gz UWEWNCNXGILGQK-QWFMPGPPSA-N 2 0 343.437 3.415 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000106432687 454694769 /nfs/dbraw/zinc/69/47/69/454694769.db2.gz WALHRJXKPBDOBU-VQIMIIECSA-N 2 0 331.504 3.443 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cnc2ccsc2c1 ZINC000124496910 454740440 /nfs/dbraw/zinc/74/04/40/454740440.db2.gz SCFZMKYIBSDBKG-HNNXBMFYSA-N 2 0 346.544 3.221 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2ccccc2o1 ZINC000124527281 454745118 /nfs/dbraw/zinc/74/51/18/454745118.db2.gz KESHSMSFPLXNJG-MRXNPFEDSA-N 2 0 329.488 3.357 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000162162563 454755869 /nfs/dbraw/zinc/75/58/69/454755869.db2.gz FXWMPLCUJXFKOS-CJNGLKHVSA-N 2 0 337.305 3.411 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)ccc1OC(F)F ZINC000635009764 460652557 /nfs/dbraw/zinc/65/25/57/460652557.db2.gz ZIGOFKHPEVJJRJ-YRGRVCCFSA-N 2 0 328.403 3.465 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124687526 454760471 /nfs/dbraw/zinc/76/04/71/454760471.db2.gz DSUNOAMJWIFKFP-BEBTZSGWSA-N 2 0 329.532 3.215 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1OC(F)(F)F)CN1CCOCC1 ZINC000153137071 454763848 /nfs/dbraw/zinc/76/38/48/454763848.db2.gz XZPWTOQPNWTHEN-ZIAGYGMSSA-N 2 0 346.393 3.204 20 0 EGADRP c1ccc(CN2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)nc1 ZINC000162277903 454764549 /nfs/dbraw/zinc/76/45/49/454764549.db2.gz OWVOVTWNSMEWPS-UHFFFAOYSA-N 2 0 342.531 3.043 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010456 460653578 /nfs/dbraw/zinc/65/35/78/460653578.db2.gz LSNZCLGSRVBDMM-JPYJTQIMSA-N 3 0 349.522 3.333 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000138087935 454788533 /nfs/dbraw/zinc/78/85/33/454788533.db2.gz WYIJTXVFLMDYFV-MSOLQXFVSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153387284 454788529 /nfs/dbraw/zinc/78/85/29/454788529.db2.gz FJSUZDIGIXXQEI-MNEFBYGVSA-N 2 0 335.923 3.407 20 0 EGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)cc1 ZINC000635013389 460655038 /nfs/dbraw/zinc/65/50/38/460655038.db2.gz RTKXEHMRSQHFLA-XLIONFOSSA-N 2 0 338.499 3.082 20 0 EGADRP C[NH+](C)CCCCCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000140176658 454816628 /nfs/dbraw/zinc/81/66/28/454816628.db2.gz DSNVOVIQNJIAAP-IBGZPJMESA-N 2 0 348.535 3.101 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163078307 454821817 /nfs/dbraw/zinc/82/18/17/454821817.db2.gz RBQDVUQIMXCYNB-JXFKEZNVSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000163109328 454823034 /nfs/dbraw/zinc/82/30/34/454823034.db2.gz OSEWFZSWBIXECQ-UZLBHIALSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163112598 454824449 /nfs/dbraw/zinc/82/44/49/454824449.db2.gz NMTBAFDHJWPTID-GYSYKLTISA-N 2 0 331.291 3.119 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000125650637 454836920 /nfs/dbraw/zinc/83/69/20/454836920.db2.gz GHZPEGJFGFDSGG-DLBZAZTESA-N 2 0 327.476 3.040 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177231671 454840283 /nfs/dbraw/zinc/84/02/83/454840283.db2.gz AFWFLVGSHFRWQS-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP COc1ccc(Oc2cc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)ccn2)cc1 ZINC000163437898 454847315 /nfs/dbraw/zinc/84/73/15/454847315.db2.gz NWZVRDKGWBTVMW-NVXWUHKLSA-N 2 0 341.455 3.455 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1cnn(C)c1 ZINC000163588114 454856750 /nfs/dbraw/zinc/85/67/50/454856750.db2.gz KNLYRUHLGQEYQT-AWEZNQCLSA-N 2 0 332.879 3.389 20 0 EGADRP CN(CC[N@H+](C)Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000177380090 454858131 /nfs/dbraw/zinc/85/81/31/454858131.db2.gz IWILOODWOTXFQE-UHFFFAOYSA-N 2 0 343.437 3.163 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000177429997 454863594 /nfs/dbraw/zinc/86/35/94/454863594.db2.gz ZJWNCFWLHYKYQG-BBWFWOEESA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000163898116 454868500 /nfs/dbraw/zinc/86/85/00/454868500.db2.gz BHCONXHCASHWFC-IAGOWNOFSA-N 2 0 339.524 3.285 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163930034 454869584 /nfs/dbraw/zinc/86/95/84/454869584.db2.gz HVJYAKLHDQNPAD-WIYYLYMNSA-N 3 0 329.532 3.492 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177525057 454872939 /nfs/dbraw/zinc/87/29/39/454872939.db2.gz ASSYVMVUHIPIEJ-LSDHHAIUSA-N 2 0 343.471 3.097 20 0 EGADRP CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000112380502 454885935 /nfs/dbraw/zinc/88/59/35/454885935.db2.gz NXJWYCYZJDAKII-XLIONFOSSA-N 2 0 334.504 3.048 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000112412237 454886540 /nfs/dbraw/zinc/88/65/40/454886540.db2.gz HINKFGHQXCUZRT-OAQYLSRUSA-N 2 0 345.531 3.224 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000154533512 454904819 /nfs/dbraw/zinc/90/48/19/454904819.db2.gz NPFXNIOZTOGKKP-OAHLLOKOSA-N 2 0 330.394 3.401 20 0 EGADRP CN(c1ccccc1C[NH2+]CCCC(C)(C)CO)C1CC[NH+](C)CC1 ZINC000150983458 454921548 /nfs/dbraw/zinc/92/15/48/454921548.db2.gz SPQLISJYROSHSR-UHFFFAOYSA-N 2 0 347.547 3.105 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178077694 454932824 /nfs/dbraw/zinc/93/28/24/454932824.db2.gz KPUREXYSPFVRFC-AZUAARDMSA-N 2 0 343.515 3.060 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151133038 454942800 /nfs/dbraw/zinc/94/28/00/454942800.db2.gz XPMSNNVEIRPXJY-HNNXBMFYSA-N 2 0 345.409 3.186 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359297 454991545 /nfs/dbraw/zinc/99/15/45/454991545.db2.gz UUBPNCJGFUMZAP-CVEARBPZSA-N 2 0 328.485 3.121 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000155667726 455029109 /nfs/dbraw/zinc/02/91/09/455029109.db2.gz PCCGNZZBPUFLSN-KXBFYZLASA-N 2 0 344.503 3.295 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(C(F)(F)F)c1 ZINC000151852921 455040223 /nfs/dbraw/zinc/04/02/23/455040223.db2.gz QKBWLGVZCAKGBE-CYBMUJFWSA-N 2 0 330.394 3.060 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000156170375 455089593 /nfs/dbraw/zinc/08/95/93/455089593.db2.gz UZGVGHBYRPVBEI-NRSPTQNISA-N 2 0 347.547 3.016 20 0 EGADRP CN(CC(=O)Nc1ccccc1C(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000152376265 455109460 /nfs/dbraw/zinc/10/94/60/455109460.db2.gz UAIVUADQCWZPOW-INIZCTEOSA-N 2 0 331.504 3.196 20 0 EGADRP COC(=O)c1sc2ccccc2c1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152411847 455115507 /nfs/dbraw/zinc/11/55/07/455115507.db2.gz LEZARKXMABXVJN-AWEZNQCLSA-N 2 0 346.496 3.462 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000152619090 455143195 /nfs/dbraw/zinc/14/31/95/455143195.db2.gz YTKUMNKQFTXWSP-PKOBYXMFSA-N 2 0 349.563 3.195 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000157013689 455161450 /nfs/dbraw/zinc/16/14/50/455161450.db2.gz MBRIFZFGNLDZGO-GHTZIAJQSA-N 3 0 329.532 3.348 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000180403796 455164321 /nfs/dbraw/zinc/16/43/21/455164321.db2.gz KIKNXJKZODOFAY-QGZVFWFLSA-N 3 0 333.520 3.150 20 0 EGADRP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623657080 460665847 /nfs/dbraw/zinc/66/58/47/460665847.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 2 0 329.532 3.361 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(F)cc1 ZINC000157158637 455169392 /nfs/dbraw/zinc/16/93/92/455169392.db2.gz ZMNOGKNYBBUSJO-GOSISDBHSA-N 2 0 333.451 3.105 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+]C3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000180457977 455173409 /nfs/dbraw/zinc/17/34/09/455173409.db2.gz XETUYVDSCXOGIS-UHFFFAOYSA-N 2 0 342.487 3.304 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000180464732 455174130 /nfs/dbraw/zinc/17/41/30/455174130.db2.gz LALTZILJWJNZIV-MJGOQNOKSA-N 2 0 335.561 3.029 20 0 EGADRP Cc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180497217 455183543 /nfs/dbraw/zinc/18/35/43/455183543.db2.gz GFTKKTSQOLHBDP-KNQAVFIVSA-N 2 0 337.511 3.310 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237721008 455211734 /nfs/dbraw/zinc/21/17/34/455211734.db2.gz PEVVDAGLESNBHO-PKOBYXMFSA-N 2 0 331.504 3.095 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442826 455301683 /nfs/dbraw/zinc/30/16/83/455301683.db2.gz WQKBPUVPRBJJKW-HUUCEWRRSA-N 2 0 337.895 3.331 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442763 455302219 /nfs/dbraw/zinc/30/22/19/455302219.db2.gz IHMYMNLVRZOFNM-HUUCEWRRSA-N 2 0 337.895 3.249 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000173675402 455326622 /nfs/dbraw/zinc/32/66/22/455326622.db2.gz MIRMLWLOPVOUPP-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000245582387 455335009 /nfs/dbraw/zinc/33/50/09/455335009.db2.gz HXTNYHYQTLHDPK-JYYAWHABSA-N 2 0 328.460 3.158 20 0 EGADRP CCC[C@H](NC(=O)CN1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000246167938 455439631 /nfs/dbraw/zinc/43/96/31/455439631.db2.gz IVRXKROOHIWEJW-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246275305 455462944 /nfs/dbraw/zinc/46/29/44/455462944.db2.gz MDBROHLIDFPDPC-FCGDIQPGSA-N 2 0 337.552 3.158 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246913603 455535532 /nfs/dbraw/zinc/53/55/32/455535532.db2.gz FZSYLXUAIYJGIV-XJKSGUPXSA-N 2 0 330.394 3.404 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247033836 455547545 /nfs/dbraw/zinc/54/75/45/455547545.db2.gz MJEDBDOVXAOAHP-AZUAARDMSA-N 2 0 347.547 3.227 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000247040667 455549920 /nfs/dbraw/zinc/54/99/20/455549920.db2.gz MTPLQJNJZKPQSF-JXXFODFXSA-N 2 0 333.495 3.065 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000192101245 455557477 /nfs/dbraw/zinc/55/74/77/455557477.db2.gz SWTRSGKOWROQPV-CVEARBPZSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000192101229 455557644 /nfs/dbraw/zinc/55/76/44/455557644.db2.gz SWTRSGKOWROQPV-JKSUJKDBSA-N 2 0 331.504 3.051 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000247085813 455557710 /nfs/dbraw/zinc/55/77/10/455557710.db2.gz RGFXADUSJZYPMT-UWJYYQICSA-N 2 0 340.515 3.433 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000182730727 455576908 /nfs/dbraw/zinc/57/69/08/455576908.db2.gz YCAJSZWMJMOFFS-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000182763003 455582886 /nfs/dbraw/zinc/58/28/86/455582886.db2.gz ZGICNFQDFYOXQK-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000182777513 455585619 /nfs/dbraw/zinc/58/56/19/455585619.db2.gz TVSAQNIEMOAYDV-UHFFFAOYSA-N 2 0 331.504 3.120 20 0 EGADRP C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCCCCC1 ZINC000185705684 455601196 /nfs/dbraw/zinc/60/11/96/455601196.db2.gz JOHLDQXYYIGYRP-BZSNNMDCSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000271367489 455613048 /nfs/dbraw/zinc/61/30/48/455613048.db2.gz GIPKBWHNTBTGFJ-HQRMLTQVSA-N 2 0 334.504 3.481 20 0 EGADRP COc1cccc2c1CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000192440808 455617425 /nfs/dbraw/zinc/61/74/25/455617425.db2.gz KBAMJVNCNSDFOV-ZIFCJYIRSA-N 2 0 346.515 3.032 20 0 EGADRP CCOc1cc(CCC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000247991190 455667791 /nfs/dbraw/zinc/66/77/91/455667791.db2.gz JJYFMUIPQBIICR-WMZOPIPTSA-N 2 0 334.504 3.346 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248025785 455671800 /nfs/dbraw/zinc/67/18/00/455671800.db2.gz OYLUBSWEJYGJMH-STXHMFSFSA-N 2 0 326.488 3.307 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(OCC[NH+](C)C)cc1 ZINC000271532267 455675068 /nfs/dbraw/zinc/67/50/68/455675068.db2.gz RIKNXMLFGGEEIU-KSSFIOAISA-N 2 0 328.460 3.078 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192775551 455690338 /nfs/dbraw/zinc/69/03/38/455690338.db2.gz JVRQGVVBXNAWAC-INIZCTEOSA-N 2 0 334.508 3.386 20 0 EGADRP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cn1 ZINC000284492184 455694562 /nfs/dbraw/zinc/69/45/62/455694562.db2.gz XBSHILZVZJGPIJ-UHFFFAOYSA-N 2 0 339.418 3.389 20 0 EGADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000268938966 455736697 /nfs/dbraw/zinc/73/66/97/455736697.db2.gz SGXNATZVKRGTAT-QUCCMNQESA-N 2 0 334.504 3.363 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284846242 455751397 /nfs/dbraw/zinc/75/13/97/455751397.db2.gz RGRPDZAKIIHBTL-HOTGVXAUSA-N 2 0 338.293 3.369 20 0 EGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269003775 455759841 /nfs/dbraw/zinc/75/98/41/455759841.db2.gz MEQNHUSFDONGLF-MRXNPFEDSA-N 2 0 329.488 3.319 20 0 EGADRP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269047120 455774526 /nfs/dbraw/zinc/77/45/26/455774526.db2.gz VCVGBPPCUFHLII-KGLIPLIRSA-N 2 0 348.409 3.245 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000249770127 455776096 /nfs/dbraw/zinc/77/60/96/455776096.db2.gz AWLKVBGFAAUYIX-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285100009 455789036 /nfs/dbraw/zinc/78/90/36/455789036.db2.gz QRPSHRDWGDTHAW-SFHVURJKSA-N 2 0 343.515 3.020 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285100002 455789137 /nfs/dbraw/zinc/78/91/37/455789137.db2.gz QRPSHRDWGDTHAW-GOSISDBHSA-N 2 0 343.515 3.020 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000186579207 455798359 /nfs/dbraw/zinc/79/83/59/455798359.db2.gz VFPBLDOXGXCMDX-KBPBESRZSA-N 2 0 329.941 3.468 20 0 EGADRP Cn1nc(-c2ccccc2)c(C[NH2+]CC2=CC[N@H+](C)CC2)c1Cl ZINC000271944012 455801476 /nfs/dbraw/zinc/80/14/76/455801476.db2.gz ZHKZCSUIXBQLGS-UHFFFAOYSA-N 2 0 330.863 3.092 20 0 EGADRP O[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409143 455839721 /nfs/dbraw/zinc/83/97/21/455839721.db2.gz DABVKKQUFOCKKK-VXKWHMMOSA-N 2 0 336.479 3.318 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285430270 455843405 /nfs/dbraw/zinc/84/34/05/455843405.db2.gz YOIFSLNYYSDVHL-KKXNLOMOSA-N 2 0 326.488 3.304 20 0 EGADRP C[C@H](Cn1ccnc1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285482221 455854889 /nfs/dbraw/zinc/85/48/89/455854889.db2.gz BOXNFKUUBCHVJY-QHGAOEGBSA-N 2 0 326.488 3.304 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000285484539 455855372 /nfs/dbraw/zinc/85/53/72/455855372.db2.gz OWKAGYWXMJDKRR-IAGOWNOFSA-N 2 0 340.515 3.496 20 0 EGADRP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000285490274 455857338 /nfs/dbraw/zinc/85/73/38/455857338.db2.gz AHBMSKPEKOERHG-DQDQTZLSSA-N 2 0 348.556 3.034 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272191928 455871844 /nfs/dbraw/zinc/87/18/44/455871844.db2.gz MKJPZFRZWMFXHV-XLIONFOSSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(O)c1 ZINC000194908567 455899629 /nfs/dbraw/zinc/89/96/29/455899629.db2.gz RYPFHVMFAMBQBR-MRXNPFEDSA-N 2 0 340.467 3.200 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C)c1 ZINC000285824911 455924360 /nfs/dbraw/zinc/92/43/60/455924360.db2.gz WPLGXVREPPKNAO-HXUWFJFHSA-N 2 0 338.499 3.383 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261780643 455946353 /nfs/dbraw/zinc/94/63/53/455946353.db2.gz MYOZRZWJCUZMGH-NRFANRHFSA-N 2 0 339.483 3.448 20 0 EGADRP CC[N@H+](Cc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1)C1CC1 ZINC000261873109 455962624 /nfs/dbraw/zinc/96/26/24/455962624.db2.gz VLXXGOIKQACMEZ-UHFFFAOYSA-N 2 0 326.444 3.449 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261887638 455966311 /nfs/dbraw/zinc/96/63/11/455966311.db2.gz VMIZXRLZIFZEOH-IAGOWNOFSA-N 2 0 329.488 3.389 20 0 EGADRP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)[C@H]3CCOC[C@H]23)cc1 ZINC000286059547 455969809 /nfs/dbraw/zinc/96/98/09/455969809.db2.gz RLGKVHBKURRKKB-HBMCJLEFSA-N 2 0 328.500 3.367 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000272514326 455977875 /nfs/dbraw/zinc/97/78/75/455977875.db2.gz GTAKECQCVSUDDD-UYAOXDASSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262082616 455993998 /nfs/dbraw/zinc/99/39/98/455993998.db2.gz TZGYRSHXOZCRRH-JXFKEZNVSA-N 2 0 332.451 3.318 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H](C[NH3+])C3)CCC2)c1 ZINC000262094926 455997257 /nfs/dbraw/zinc/99/72/57/455997257.db2.gz HSJGQAZUUOAQDT-GOSISDBHSA-N 2 0 332.488 3.053 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCSCC2)CC1 ZINC000286204973 455999435 /nfs/dbraw/zinc/99/94/35/455999435.db2.gz RVKPTVMNWTZWMO-UHFFFAOYSA-N 2 0 347.572 3.068 20 0 EGADRP COCc1cccc(OCC2(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)CCC2)c1 ZINC000262196498 456010475 /nfs/dbraw/zinc/01/04/75/456010475.db2.gz ZOZFWYFLEIEQJL-LJQANCHMSA-N 2 0 346.515 3.456 20 0 EGADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272730679 456054338 /nfs/dbraw/zinc/05/43/38/456054338.db2.gz IJVZIFXBNRRKHN-YLJYHZDGSA-N 2 0 339.483 3.198 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000270909369 456065252 /nfs/dbraw/zinc/06/52/52/456065252.db2.gz NQXCCJHUEWZBIO-RMKNXTFCSA-N 2 0 327.516 3.190 20 0 EGADRP C[C@@H](CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000262893533 456066855 /nfs/dbraw/zinc/06/68/55/456066855.db2.gz ALWDKCDYCMMQLK-NSHDSACASA-N 2 0 343.393 3.128 20 0 EGADRP C[C@H]([NH2+]CCCOC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272847192 456089795 /nfs/dbraw/zinc/08/97/95/456089795.db2.gz SFRPQAWMCCBQMX-ICSRJNTNSA-N 2 0 346.515 3.072 20 0 EGADRP Cc1nc(C)c(C)c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000301448556 456119467 /nfs/dbraw/zinc/11/94/67/456119467.db2.gz RILBPPXDDMLHLE-UHFFFAOYSA-N 2 0 328.435 3.253 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263293580 456120273 /nfs/dbraw/zinc/12/02/73/456120273.db2.gz VZYQLOORZUNHIY-AZUAARDMSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000263317226 456126049 /nfs/dbraw/zinc/12/60/49/456126049.db2.gz ZQYIQYDTPVFDMO-MJGOQNOKSA-N 2 0 347.528 3.082 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236689061 456169826 /nfs/dbraw/zinc/16/98/26/456169826.db2.gz XONVTJLCWDLVAA-UHFFFAOYSA-N 2 0 345.531 3.300 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333173335 456172326 /nfs/dbraw/zinc/17/23/26/456172326.db2.gz QGHZEJSWFQIKSH-GOEBONIOSA-N 2 0 337.533 3.159 20 0 EGADRP Cc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000301660703 456177115 /nfs/dbraw/zinc/17/71/15/456177115.db2.gz JHQPHGSQGANYBH-MRXNPFEDSA-N 2 0 331.435 3.187 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000271237931 456186474 /nfs/dbraw/zinc/18/64/74/456186474.db2.gz XEMICKMDUUXWTN-ONEGZZNKSA-N 2 0 345.506 3.329 20 0 EGADRP Cc1nc(C)c(C)c(N2CCN(Cc3cccc(Cl)c3)CC2)n1 ZINC000301702429 456191458 /nfs/dbraw/zinc/19/14/58/456191458.db2.gz UHLRLOHWQUHVMG-UHFFFAOYSA-N 2 0 330.863 3.377 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000297339273 456191773 /nfs/dbraw/zinc/19/17/73/456191773.db2.gz FBGJIJXIKSUXHR-KUHUBIRLSA-N 2 0 343.496 3.404 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000236851928 456192777 /nfs/dbraw/zinc/19/27/77/456192777.db2.gz OBRJBJSJRKXLEG-ALOPSCKCSA-N 2 0 339.524 3.238 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000236886653 456197677 /nfs/dbraw/zinc/19/76/77/456197677.db2.gz HFEVAPYSRFJOSZ-LJQANCHMSA-N 2 0 341.455 3.046 20 0 EGADRP OCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000297358153 456198270 /nfs/dbraw/zinc/19/82/70/456198270.db2.gz GNXZCIMUZHEVIS-IBGZPJMESA-N 2 0 345.874 3.417 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000236929965 456203075 /nfs/dbraw/zinc/20/30/75/456203075.db2.gz AIGZIZQAKVLLNV-HXUWFJFHSA-N 2 0 325.456 3.341 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189040292 456208326 /nfs/dbraw/zinc/20/83/26/456208326.db2.gz MNPZQILVHIBJRS-LEWJYISDSA-N 2 0 329.532 3.015 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000236959121 456208764 /nfs/dbraw/zinc/20/87/64/456208764.db2.gz RKAZHYVDURVIRN-VQTJNVASSA-N 2 0 339.483 3.058 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000281446079 456236377 /nfs/dbraw/zinc/23/63/77/456236377.db2.gz SLKXEUKOLRZWIL-JXFKEZNVSA-N 2 0 326.488 3.383 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189148969 456240378 /nfs/dbraw/zinc/24/03/78/456240378.db2.gz ZNIPHEZWIWOFAS-YADHBBJMSA-N 2 0 343.559 3.261 20 0 EGADRP CC(C)c1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nc(C(C)C)n1 ZINC000333711663 456252808 /nfs/dbraw/zinc/25/28/08/456252808.db2.gz SKGGHMMFBOPCEM-VQIMIIECSA-N 2 0 346.519 3.446 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)CC1 ZINC000290290609 456280711 /nfs/dbraw/zinc/28/07/11/456280711.db2.gz AJOBHPZSXUNWSJ-GOSISDBHSA-N 2 0 344.499 3.495 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCCC34CCCC4)cn2)CC1 ZINC000340173680 456291395 /nfs/dbraw/zinc/29/13/95/456291395.db2.gz MYYDGHKNDGLRBX-IBGZPJMESA-N 2 0 342.531 3.426 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000290326829 456291946 /nfs/dbraw/zinc/29/19/46/456291946.db2.gz DKJOEMOYFBEICP-UHFFFAOYSA-N 2 0 338.459 3.143 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000275708637 456293397 /nfs/dbraw/zinc/29/33/97/456293397.db2.gz MPBQFUQKTYKYPF-LJQANCHMSA-N 2 0 329.492 3.038 20 0 EGADRP Cc1noc(C)c1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336793337 456309553 /nfs/dbraw/zinc/30/95/53/456309553.db2.gz WHUYMGQLFBOXGZ-PMACEKPBSA-N 2 0 339.483 3.288 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000275808122 456320130 /nfs/dbraw/zinc/32/01/30/456320130.db2.gz IHVLGAACUKRNOJ-LJQANCHMSA-N 2 0 329.488 3.136 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000302228245 456322930 /nfs/dbraw/zinc/32/29/30/456322930.db2.gz QTEAEHWDIRSPRC-HNNXBMFYSA-N 2 0 338.455 3.167 20 0 EGADRP COCC[N@H+](CCOc1ccc(F)cc1)Cc1cccc2nccn21 ZINC000342938889 456325744 /nfs/dbraw/zinc/32/57/44/456325744.db2.gz OEMUJCDNWDWUIJ-UHFFFAOYSA-N 2 0 343.402 3.001 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC(C)C ZINC000290434543 456328233 /nfs/dbraw/zinc/32/82/33/456328233.db2.gz LMRABXKUVYWESS-MSOLQXFVSA-N 2 0 332.488 3.399 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290534367 456355460 /nfs/dbraw/zinc/35/54/60/456355460.db2.gz VMECDDYYLYAMEQ-INIZCTEOSA-N 2 0 341.503 3.434 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccccc2OC)[C@@H](C)C1 ZINC000276191396 456409052 /nfs/dbraw/zinc/40/90/52/456409052.db2.gz IEWVUPDBISYVOW-ICSRJNTNSA-N 2 0 348.531 3.354 20 0 EGADRP C[C@H]([NH2+]CC[S@](=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347957008 456428388 /nfs/dbraw/zinc/42/83/88/456428388.db2.gz MXXBEOGWYUQEOM-QQMNAOGKSA-N 2 0 334.529 3.037 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000282191629 456438291 /nfs/dbraw/zinc/43/82/91/456438291.db2.gz NIZTUVQZVYGVKP-QMMLZNLJSA-N 2 0 346.515 3.202 20 0 EGADRP c1cc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)ccn1 ZINC000340413321 456445880 /nfs/dbraw/zinc/44/58/80/456445880.db2.gz DAXWCWUOOYVEGB-PMACEKPBSA-N 2 0 337.467 3.377 20 0 EGADRP CCn1cc(CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000276356215 456454282 /nfs/dbraw/zinc/45/42/82/456454282.db2.gz XLLNOJJJEQZFRX-UHFFFAOYSA-N 2 0 340.515 3.290 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000353044542 456459658 /nfs/dbraw/zinc/45/96/58/456459658.db2.gz FXGFABHAFOUMHD-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282357880 456488802 /nfs/dbraw/zinc/48/88/02/456488802.db2.gz PPOBIPRUBJMNAQ-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000340494582 456492057 /nfs/dbraw/zinc/49/20/57/456492057.db2.gz FGDHCKPSUFWKLR-ROUUACIJSA-N 2 0 345.531 3.313 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353115072 456499469 /nfs/dbraw/zinc/49/94/69/456499469.db2.gz XEMKVXMCXPPMKF-CYBMUJFWSA-N 2 0 332.411 3.303 20 0 EGADRP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000340523485 456508528 /nfs/dbraw/zinc/50/85/28/456508528.db2.gz DSFMOGSBUKCKLR-ZVDOUQERSA-N 2 0 344.499 3.127 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(Br)cc2)CC[NH+](C)CC1 ZINC000353185509 456546320 /nfs/dbraw/zinc/54/63/20/456546320.db2.gz COESWKLPVJVSFY-UHFFFAOYSA-N 2 0 343.334 3.366 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000340586148 456549606 /nfs/dbraw/zinc/54/96/06/456549606.db2.gz KIPCLKOIRNPTQE-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)c1nnc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000291176347 456554533 /nfs/dbraw/zinc/55/45/33/456554533.db2.gz NVDUUNCXFMIFMX-MRXNPFEDSA-N 2 0 341.503 3.286 20 0 EGADRP CSC1(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC[NH+](C)CC1 ZINC000353217511 456567852 /nfs/dbraw/zinc/56/78/52/456567852.db2.gz YXJOQWGKBQIGCK-ONEGZZNKSA-N 2 0 326.456 3.395 20 0 EGADRP Cc1ccncc1CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000348253719 456573039 /nfs/dbraw/zinc/57/30/39/456573039.db2.gz LLKBILYPMXRVJV-UHFFFAOYSA-N 2 0 345.531 3.147 20 0 EGADRP CSC1(C[NH2+]Cc2cnc(-c3ccco3)s2)CC[NH+](C)CC1 ZINC000353232510 456575042 /nfs/dbraw/zinc/57/50/42/456575042.db2.gz VXOKAELIFCPWFS-UHFFFAOYSA-N 2 0 337.514 3.320 20 0 EGADRP CC1(C)CC[C@H](C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000310274861 456581736 /nfs/dbraw/zinc/58/17/36/456581736.db2.gz OGXAUJOJHJMBQD-XUVXKRRUSA-N 2 0 328.500 3.398 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000310868254 456586235 /nfs/dbraw/zinc/58/62/35/456586235.db2.gz YNECAMIORQELIC-QAPCUYQASA-N 2 0 347.503 3.284 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)s2)cn1 ZINC000282744833 456611631 /nfs/dbraw/zinc/61/16/31/456611631.db2.gz GFRAOYYPOMVJBG-WMLDXEAASA-N 2 0 330.501 3.065 20 0 EGADRP Cc1cccc2nc(CN3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000348318794 456619182 /nfs/dbraw/zinc/61/91/82/456619182.db2.gz BHAIIARNJYPDAP-PMACEKPBSA-N 2 0 346.478 3.207 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)N(C)C)cc1 ZINC000348318226 456619545 /nfs/dbraw/zinc/61/95/45/456619545.db2.gz FMCNKKLCONIDIG-NDXORKPFSA-N 2 0 345.531 3.149 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)CC1 ZINC000353328120 456640902 /nfs/dbraw/zinc/64/09/02/456640902.db2.gz GTSKNIOZOPRJFW-HNNXBMFYSA-N 2 0 347.890 3.298 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCOCC1 ZINC000277034070 456660012 /nfs/dbraw/zinc/66/00/12/456660012.db2.gz OKYMWLUQBOEODK-GOSISDBHSA-N 2 0 346.515 3.346 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)CCOCC1 ZINC000277098481 456678592 /nfs/dbraw/zinc/67/85/92/456678592.db2.gz VYKVZGOXMWLTNS-UHFFFAOYSA-N 2 0 346.515 3.204 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000338193093 456696580 /nfs/dbraw/zinc/69/65/80/456696580.db2.gz VCXHABYTPDUXGJ-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000343578344 456718924 /nfs/dbraw/zinc/71/89/24/456718924.db2.gz JRCHWYMIQBCBGJ-QGZVFWFLSA-N 2 0 325.541 3.074 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000343580869 456721624 /nfs/dbraw/zinc/72/16/24/456721624.db2.gz NVPIYLCZNMPROJ-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000291712492 456730443 /nfs/dbraw/zinc/73/04/43/456730443.db2.gz LORPUGRNZDSPEY-UYAOXDASSA-N 2 0 346.515 3.072 20 0 EGADRP CN(CCC[N@H+](C)CCC(=O)N(C)c1ccccc1)Cc1ccco1 ZINC000353554464 456756304 /nfs/dbraw/zinc/75/63/04/456756304.db2.gz KVLWQYZRQYJFNS-UHFFFAOYSA-N 2 0 343.471 3.086 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CS1 ZINC000277306308 456770456 /nfs/dbraw/zinc/77/04/56/456770456.db2.gz SFUUWLDVKQWZQY-UFYCRDLUSA-N 2 0 348.556 3.263 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000283388962 456772057 /nfs/dbraw/zinc/77/20/57/456772057.db2.gz UEIJMTYTETUADH-QFIPXVFZSA-N 2 0 343.559 3.500 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000291938804 456804519 /nfs/dbraw/zinc/80/45/19/456804519.db2.gz PQIDLUHJEMQNDR-OAHLLOKOSA-N 2 0 327.428 3.332 20 0 EGADRP c1ccc(C[NH+]2CCC(NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000277519956 456851672 /nfs/dbraw/zinc/85/16/72/456851672.db2.gz SOFOTUPTLVMJJV-OAQYLSRUSA-N 2 0 327.516 3.258 20 0 EGADRP CCN(C)c1ccc(C[N@H+](C)CCCN(C)Cc2ccco2)cn1 ZINC000348813446 456867826 /nfs/dbraw/zinc/86/78/26/456867826.db2.gz HBMQFTRYHMCWDV-UHFFFAOYSA-N 2 0 330.476 3.085 20 0 EGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)C(C)C)CC2)cc1 ZINC000338973453 456883951 /nfs/dbraw/zinc/88/39/51/456883951.db2.gz KHWBRNIAFMXCEX-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000341675201 456894750 /nfs/dbraw/zinc/89/47/50/456894750.db2.gz JXHQIKQICAEZEM-FQEVSTJZSA-N 2 0 348.450 3.071 20 0 EGADRP CCC[NH+]1CCC(CNC(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000353776366 456901702 /nfs/dbraw/zinc/90/17/02/456901702.db2.gz IQKDOKVTTBSMTE-HXUWFJFHSA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345206309 456967691 /nfs/dbraw/zinc/96/76/91/456967691.db2.gz PEVHIGZWLNZSIE-UYAOXDASSA-N 2 0 332.488 3.208 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353948399 456975817 /nfs/dbraw/zinc/97/58/17/456975817.db2.gz UMRALOBIEUNAFJ-CHWSQXEVSA-N 2 0 344.377 3.310 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353948401 456975919 /nfs/dbraw/zinc/97/59/19/456975919.db2.gz UMRALOBIEUNAFJ-QWHCGFSZSA-N 2 0 344.377 3.310 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccsc2C)CC1 ZINC000339191035 456984817 /nfs/dbraw/zinc/98/48/17/456984817.db2.gz YWPLGVPHWJXPMY-UHFFFAOYSA-N 2 0 343.540 3.484 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000349671499 457013188 /nfs/dbraw/zinc/01/31/88/457013188.db2.gz WRSQVVUGWLFXID-INIZCTEOSA-N 2 0 326.481 3.311 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CCC(OC)CC2)[C@@H](C)C1 ZINC000349686856 457017259 /nfs/dbraw/zinc/01/72/59/457017259.db2.gz YBDVJOICEPBMRC-DCCYDQLOSA-N 2 0 340.552 3.308 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362663745 457033585 /nfs/dbraw/zinc/03/35/85/457033585.db2.gz MANJJPZBCWXFOK-LMMKCTJWSA-N 2 0 343.515 3.226 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CC3(CCC3(F)F)C2)CC1 ZINC000356532291 457040078 /nfs/dbraw/zinc/04/00/78/457040078.db2.gz TWXHJJKPHJVQAG-UHFFFAOYSA-N 2 0 335.442 3.060 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000354108343 457067569 /nfs/dbraw/zinc/06/75/69/457067569.db2.gz VDULHXUKGJWHBY-HXUWFJFHSA-N 2 0 334.504 3.407 20 0 EGADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000354127414 457081855 /nfs/dbraw/zinc/08/18/55/457081855.db2.gz DIHYPRRGDXHZKC-UHFFFAOYSA-N 2 0 347.528 3.050 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(NCC3CC3)ncn2)C1 ZINC000359468780 457086977 /nfs/dbraw/zinc/08/69/77/457086977.db2.gz WLRULJIYNJPHJE-HLLBOEOZSA-N 2 0 329.492 3.140 20 0 EGADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000339397645 457093043 /nfs/dbraw/zinc/09/30/43/457093043.db2.gz RUFKEYQSNIZPDY-IAGOWNOFSA-N 2 0 328.460 3.495 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000346659594 457096710 /nfs/dbraw/zinc/09/67/10/457096710.db2.gz UWTVRMIQXBXLBY-UHFFFAOYSA-N 2 0 343.446 3.218 20 0 EGADRP Cc1ccc(CCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000339410361 457098230 /nfs/dbraw/zinc/09/82/30/457098230.db2.gz RIPZWSXFNLKZTN-OAQYLSRUSA-N 2 0 338.499 3.362 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000346685648 457110131 /nfs/dbraw/zinc/11/01/31/457110131.db2.gz IUNOQHOMIGGPOI-UHFFFAOYSA-N 2 0 326.488 3.027 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342105126 457111121 /nfs/dbraw/zinc/11/11/21/457111121.db2.gz NVELNBXHOIJXPR-NZSAHSFTSA-N 2 0 337.467 3.228 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000346689683 457113085 /nfs/dbraw/zinc/11/30/85/457113085.db2.gz SHOIAHJPNCGKHM-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@H]21 ZINC000342127344 457123124 /nfs/dbraw/zinc/12/31/24/457123124.db2.gz MEYXHOGHWWOHGR-NUEKZKHPSA-N 2 0 328.378 3.187 20 0 EGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000354198749 457125817 /nfs/dbraw/zinc/12/58/17/457125817.db2.gz LLLDSTDQCNOAIX-SFHVURJKSA-N 2 0 330.520 3.152 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000347067602 457213696 /nfs/dbraw/zinc/21/36/96/457213696.db2.gz NEIWXYPDDIUABA-GOSISDBHSA-N 2 0 328.435 3.180 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000360056104 457229657 /nfs/dbraw/zinc/22/96/57/457229657.db2.gz QKRZPHMIAJODOC-SFTDATJTSA-N 2 0 347.547 3.016 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000342412920 457289989 /nfs/dbraw/zinc/28/99/89/457289989.db2.gz HTVRADVJJKKWJF-LSDHHAIUSA-N 2 0 345.409 3.233 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357039910 457292282 /nfs/dbraw/zinc/29/22/82/457292282.db2.gz BJQYRSXCNRVOTN-CTNGQTDRSA-N 2 0 344.499 3.066 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000342419436 457293997 /nfs/dbraw/zinc/29/39/97/457293997.db2.gz JZXRQIRKEDHBGK-QUCCMNQESA-N 2 0 339.483 3.448 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000357052772 457300172 /nfs/dbraw/zinc/30/01/72/457300172.db2.gz OOHGZUUSCQVLCY-GOSISDBHSA-N 2 0 330.520 3.289 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cn3cccnc3n2)CC1)CC1CC1 ZINC000357084649 457313819 /nfs/dbraw/zinc/31/38/19/457313819.db2.gz MCQPVMKUKNGFKO-UHFFFAOYSA-N 2 0 341.503 3.063 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)CC1CC1 ZINC000357087459 457315599 /nfs/dbraw/zinc/31/55/99/457315599.db2.gz PZLXVPNETIDDEK-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)cc1 ZINC000352016127 457330874 /nfs/dbraw/zinc/33/08/74/457330874.db2.gz VGANKBSYSDJASY-IRXDYDNUSA-N 2 0 331.504 3.083 20 0 EGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCCc4nccn43)c2C1 ZINC000355148765 457344662 /nfs/dbraw/zinc/34/46/62/457344662.db2.gz WAUDBWMWZWKCQF-GOSISDBHSA-N 2 0 338.455 3.371 20 0 EGADRP Cc1cnc([C@H](C)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447230 457374627 /nfs/dbraw/zinc/37/46/27/457374627.db2.gz JNUVTPRJWSOCAD-UHOSZYNNSA-N 2 0 325.456 3.498 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000378249643 457384419 /nfs/dbraw/zinc/38/44/19/457384419.db2.gz YAZNQENQYBATQZ-JXFKEZNVSA-N 2 0 347.934 3.428 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000363656424 457400907 /nfs/dbraw/zinc/40/09/07/457400907.db2.gz LUBZUBXCUZTSMF-PMACEKPBSA-N 2 0 329.532 3.361 20 0 EGADRP CC(=O)Nc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000369857702 457433757 /nfs/dbraw/zinc/43/37/57/457433757.db2.gz SWIWTLNVPXZNRE-OYRHEFFESA-N 2 0 349.478 3.209 20 0 EGADRP Clc1cccc2c1OCCC[C@@H]2NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363782285 457444694 /nfs/dbraw/zinc/44/46/94/457444694.db2.gz KNAINJMJLLBLPD-ZQIUZPCESA-N 2 0 336.863 3.007 20 0 EGADRP COC(=O)c1oc([C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000374074333 457471054 /nfs/dbraw/zinc/47/10/54/457471054.db2.gz JXCWVGLVZTUBIM-OAHLLOKOSA-N 2 0 334.460 3.243 20 0 EGADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000425354912 457514735 /nfs/dbraw/zinc/51/47/35/457514735.db2.gz OEXAICGNTQPYST-QGWWYQLQSA-N 2 0 334.529 3.279 20 0 EGADRP Fc1ccc(Br)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401162404 457523638 /nfs/dbraw/zinc/52/36/38/457523638.db2.gz UASARTKGAUQUIY-JTNHKYCSSA-N 2 0 327.241 3.066 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(N(C)C)n2C)CC1)CC(C)C ZINC000425388159 457530670 /nfs/dbraw/zinc/53/06/70/457530670.db2.gz WBRJASWEMVBCAE-UHFFFAOYSA-N 2 0 349.567 3.066 20 0 EGADRP CCOC1CC([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1 ZINC000342801748 457534413 /nfs/dbraw/zinc/53/44/13/457534413.db2.gz FWFUBXCWIPJHGI-ZLPCBKJTSA-N 2 0 349.494 3.186 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000374230715 457535738 /nfs/dbraw/zinc/53/57/38/457535738.db2.gz NPTAQDHHIKGPNM-WOJBJXKFSA-N 2 0 344.547 3.033 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000364346422 457571435 /nfs/dbraw/zinc/57/14/35/457571435.db2.gz YXZWYFCJINIXTK-WMQCIHAUSA-N 2 0 330.516 3.223 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000374305462 457577741 /nfs/dbraw/zinc/57/77/41/457577741.db2.gz JWOYLJGTIKMVEP-FXAWDEMLSA-N 2 0 331.504 3.198 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000374305464 457577889 /nfs/dbraw/zinc/57/78/89/457577889.db2.gz JWOYLJGTIKMVEP-XLIONFOSSA-N 2 0 331.504 3.198 20 0 EGADRP CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357532752 457582896 /nfs/dbraw/zinc/58/28/96/457582896.db2.gz VKOKEVPTFCWQSC-XLIONFOSSA-N 2 0 343.515 3.162 20 0 EGADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC2=CCCOC2)CC3)cc1 ZINC000364427674 457601148 /nfs/dbraw/zinc/60/11/48/457601148.db2.gz BMJSLTGLIFSTRM-UHFFFAOYSA-N 2 0 326.484 3.321 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000356437909 457626166 /nfs/dbraw/zinc/62/61/66/457626166.db2.gz WWEABHFKNLSVAB-UHFFFAOYSA-N 2 0 329.492 3.244 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(-c2ccncc2)cc1 ZINC000361175273 457629182 /nfs/dbraw/zinc/62/91/82/457629182.db2.gz NIKTXPZKYHGFDR-KRWDZBQOSA-N 2 0 339.483 3.104 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)c2)CC1 ZINC000361183401 457634575 /nfs/dbraw/zinc/63/45/75/457634575.db2.gz UVVZMUNLVPBZJC-NQIIRXRSSA-N 3 0 329.532 3.348 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000364684776 457673304 /nfs/dbraw/zinc/67/33/04/457673304.db2.gz JPIKQSJQVLIPJE-IYBDPMFKSA-N 2 0 336.549 3.070 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CCN1C ZINC000370616196 457681935 /nfs/dbraw/zinc/68/19/35/457681935.db2.gz PPBHPBXUSNPDEC-BMFZPTHFSA-N 2 0 341.421 3.356 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC000370634065 457686937 /nfs/dbraw/zinc/68/69/37/457686937.db2.gz JQBNCNVEINLBHR-DYESRHJHSA-N 2 0 341.543 3.385 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000357780470 457687279 /nfs/dbraw/zinc/68/72/79/457687279.db2.gz VXXNFYMPPQPKMS-AEFFLSMTSA-N 2 0 349.544 3.156 20 0 EGADRP C[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364797976 457695386 /nfs/dbraw/zinc/69/53/86/457695386.db2.gz ITLCNRWLUZCOGE-MRXNPFEDSA-N 2 0 339.886 3.079 20 0 EGADRP Fc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c(F)c1 ZINC000370670448 457695872 /nfs/dbraw/zinc/69/58/72/457695872.db2.gz BRICGTJVKLDZKC-SJORKVTESA-N 2 0 335.442 3.150 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000357856811 457713911 /nfs/dbraw/zinc/71/39/11/457713911.db2.gz UPEHNDDEMHSJEZ-MRXNPFEDSA-N 2 0 334.504 3.346 20 0 EGADRP C[N@H+](Cc1ccc(F)cn1)[C@@H]1CCCN(Cc2ccc(F)cn2)CC1 ZINC000364896224 457714105 /nfs/dbraw/zinc/71/41/05/457714105.db2.gz PAEXUFKUKHTKKS-LJQANCHMSA-N 2 0 346.425 3.241 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357861374 457715358 /nfs/dbraw/zinc/71/53/58/457715358.db2.gz XGHZWSRHFJWDOO-UYAOXDASSA-N 2 0 344.547 3.004 20 0 EGADRP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCCCC1 ZINC000370839007 457726848 /nfs/dbraw/zinc/72/68/48/457726848.db2.gz OQDRCUYGQFSUDK-FXAWDEMLSA-N 2 0 349.563 3.220 20 0 EGADRP C(CC1CCOCC1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000361434890 457731036 /nfs/dbraw/zinc/73/10/36/457731036.db2.gz HRGDNIGEPCMABN-UHFFFAOYSA-N 2 0 338.536 3.018 20 0 EGADRP CSc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000358036812 457747481 /nfs/dbraw/zinc/74/74/81/457747481.db2.gz DEEJNOJIFCCWNI-UHFFFAOYSA-N 2 0 334.529 3.343 20 0 EGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457601488 457761023 /nfs/dbraw/zinc/76/10/23/457761023.db2.gz CHUUZQHXRMORLD-UHFFFAOYSA-N 2 0 347.547 3.164 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)c1ccccc1Cl ZINC000433133026 457763165 /nfs/dbraw/zinc/76/31/65/457763165.db2.gz HASNORUFKBKSEI-WBVHZDCISA-N 2 0 339.911 3.070 20 0 EGADRP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000433152989 457765281 /nfs/dbraw/zinc/76/52/81/457765281.db2.gz OBLBXTSABQOFKA-FUHIMQAGSA-N 2 0 345.531 3.012 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000361519036 457767165 /nfs/dbraw/zinc/76/71/65/457767165.db2.gz MHGIXIUMCDXRLW-GOSISDBHSA-N 2 0 347.547 3.118 20 0 EGADRP Cn1ccnc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649180 457767494 /nfs/dbraw/zinc/76/74/94/457767494.db2.gz MPXWIBNAZJYXSL-WBMJQRKESA-N 2 0 337.826 3.126 20 0 EGADRP COCCOC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411281210 457847816 /nfs/dbraw/zinc/84/78/16/457847816.db2.gz VOCVBTMMAXRISY-UHFFFAOYSA-N 2 0 346.515 3.300 20 0 EGADRP CC(C)Oc1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371292045 457851008 /nfs/dbraw/zinc/85/10/08/457851008.db2.gz ARZCULMCOFAEDY-DFQSSKMNSA-N 2 0 332.488 3.157 20 0 EGADRP COc1ccc(Cl)cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300339 457855022 /nfs/dbraw/zinc/85/50/22/457855022.db2.gz OKXQFQHIIQWUJE-XYJFISCASA-N 2 0 338.879 3.032 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444198593 457867219 /nfs/dbraw/zinc/86/72/19/457867219.db2.gz QBHUERQRTGXEBT-KRWDZBQOSA-N 2 0 347.478 3.271 20 0 EGADRP COc1ccc(Cl)cc1[C@H](CC(C)C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358257971 457892443 /nfs/dbraw/zinc/89/24/43/457892443.db2.gz VFPKITWITAIKBX-WMZOPIPTSA-N 2 0 340.895 3.092 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCCCOc1ccccc1 ZINC000375355620 457894438 /nfs/dbraw/zinc/89/44/38/457894438.db2.gz KNTNSMGZLAFNNG-GIVPXCGWSA-N 2 0 346.515 3.419 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000358267975 457899772 /nfs/dbraw/zinc/89/97/72/457899772.db2.gz QZXFZMIXVVSTDX-MSOLQXFVSA-N 2 0 343.515 3.133 20 0 EGADRP Cc1ccc2c(c1)CC[N@@H+](C[C@@H](O)Cn1cnc3cc(C)c(C)cc31)C2 ZINC000361844132 457902615 /nfs/dbraw/zinc/90/26/15/457902615.db2.gz SSTCXYGWCSWSBQ-HXUWFJFHSA-N 2 0 349.478 3.381 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000358282300 457908517 /nfs/dbraw/zinc/90/85/17/457908517.db2.gz CEVQLKWSKZBTPN-HBMCJLEFSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000361884417 457929174 /nfs/dbraw/zinc/92/91/74/457929174.db2.gz DABZQLDGBKILFN-NSHDSACASA-N 2 0 348.821 3.049 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000434055874 457939150 /nfs/dbraw/zinc/93/91/50/457939150.db2.gz AQTWOIBMXDYUKA-PMACEKPBSA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000375504180 457953423 /nfs/dbraw/zinc/95/34/23/457953423.db2.gz BLKZCNGBMXFERK-UHFFFAOYSA-N 2 0 338.455 3.329 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427271428 457969747 /nfs/dbraw/zinc/96/97/47/457969747.db2.gz FDJIRIRYLYLIQM-MSOLQXFVSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506242 458046097 /nfs/dbraw/zinc/04/60/97/458046097.db2.gz LDMMJCBAAFOCRS-MRXNPFEDSA-N 2 0 329.488 3.213 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000434788420 458050589 /nfs/dbraw/zinc/05/05/89/458050589.db2.gz YQKGPISQRYWNAC-MJGOQNOKSA-N 2 0 330.520 3.008 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CCCc3cccc(F)c3)CC2)CC1 ZINC000371823682 458088286 /nfs/dbraw/zinc/08/82/86/458088286.db2.gz RRUVHOWUTHNOOI-UHFFFAOYSA-N 2 0 347.522 3.108 20 0 EGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412120004 458098557 /nfs/dbraw/zinc/09/85/57/458098557.db2.gz YGIJRBMKYCHWOM-IBGZPJMESA-N 2 0 343.515 3.086 20 0 EGADRP C[C@@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)[C@@]1(C)CCCO1 ZINC000428234077 458103068 /nfs/dbraw/zinc/10/30/68/458103068.db2.gz XJQGKPJASIBYQJ-NLWGTHIKSA-N 2 0 346.515 3.434 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908313 458118342 /nfs/dbraw/zinc/11/83/42/458118342.db2.gz VZLRUDITSZEAHW-UXHICEINSA-N 2 0 333.495 3.377 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435374144 458124404 /nfs/dbraw/zinc/12/44/04/458124404.db2.gz HLJQDNDUDVURTL-SJLPKXTDSA-N 2 0 338.499 3.394 20 0 EGADRP [NH3+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435388000 458132222 /nfs/dbraw/zinc/13/22/22/458132222.db2.gz DFDLVPJXBGEWDP-OAHLLOKOSA-N 2 0 338.480 3.381 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435391345 458134176 /nfs/dbraw/zinc/13/41/76/458134176.db2.gz SDTBVKFWTCKLNK-HNNXBMFYSA-N 2 0 332.879 3.313 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435614399 458173015 /nfs/dbraw/zinc/17/30/15/458173015.db2.gz FJNXEPMFQOXLMS-HNNXBMFYSA-N 2 0 343.393 3.108 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H]1C ZINC000435726763 458191095 /nfs/dbraw/zinc/19/10/95/458191095.db2.gz RUMWWKSPCISDTC-NEPXVJNWSA-N 2 0 336.520 3.351 20 0 EGADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000358755427 458196100 /nfs/dbraw/zinc/19/61/00/458196100.db2.gz SNWJLIPGLAUCLP-LPHOPBHVSA-N 2 0 340.458 3.488 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000372192667 458225574 /nfs/dbraw/zinc/22/55/74/458225574.db2.gz VYRNRBQUNPAWHW-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP Clc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc2c1OCCO2 ZINC000446888919 458242027 /nfs/dbraw/zinc/24/20/27/458242027.db2.gz PFMBZGYIGGXCAE-UHFFFAOYSA-N 2 0 336.863 3.075 20 0 EGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000362548342 458261330 /nfs/dbraw/zinc/26/13/30/458261330.db2.gz SGHQHVAFKOOXGN-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436251770 458276622 /nfs/dbraw/zinc/27/66/22/458276622.db2.gz JZAUCJIFHPLOKY-QHAWAJNXSA-N 2 0 330.516 3.080 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000436290058 458284738 /nfs/dbraw/zinc/28/47/38/458284738.db2.gz YNFBXAFHJZRTPK-FXAWDEMLSA-N 2 0 329.532 3.316 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2c(Cl)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000436406618 458301329 /nfs/dbraw/zinc/30/13/29/458301329.db2.gz IKJXGSCMFXIONK-DOTOQJQBSA-N 2 0 346.906 3.464 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000429288934 458308162 /nfs/dbraw/zinc/30/81/62/458308162.db2.gz BCAGMLPNYQDKTN-OALUTQOASA-N 2 0 331.504 3.166 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429420998 458331321 /nfs/dbraw/zinc/33/13/21/458331321.db2.gz DSEIEFSXFNBCJH-AZUAARDMSA-N 2 0 334.479 3.144 20 0 EGADRP C[C@@H](c1ccccc1Cl)[N@H+](CCC(=O)N1CCN(C)CC1)C1CC1 ZINC000429669648 458355889 /nfs/dbraw/zinc/35/58/89/458355889.db2.gz GXMNXHRPMGMYPD-HNNXBMFYSA-N 2 0 349.906 3.030 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc(O)c2n1 ZINC000429681860 458357619 /nfs/dbraw/zinc/35/76/19/458357619.db2.gz DMWQXSPOGXCCOS-INIZCTEOSA-N 2 0 325.456 3.167 20 0 EGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000448021995 458379974 /nfs/dbraw/zinc/37/99/74/458379974.db2.gz LXEQOZZERPELNX-QAPCUYQASA-N 2 0 347.503 3.122 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCC3)CCN1C1CC[NH+](C)CC1 ZINC000430078987 458397964 /nfs/dbraw/zinc/39/79/64/458397964.db2.gz UGKJUGLNIBMNTD-GOSISDBHSA-N 2 0 341.543 3.166 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000423440770 458433412 /nfs/dbraw/zinc/43/34/12/458433412.db2.gz OSMYDSYBRDKYOA-DIOULYMOSA-N 2 0 332.879 3.265 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000423452634 458435307 /nfs/dbraw/zinc/43/53/07/458435307.db2.gz ZJFRZDJDQBEXJS-VNTMZGSJSA-N 2 0 342.483 3.146 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423462268 458436608 /nfs/dbraw/zinc/43/66/08/458436608.db2.gz DIRVSVJBADNQDA-XOKHGSTOSA-N 2 0 332.879 3.270 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423505048 458445854 /nfs/dbraw/zinc/44/58/54/458445854.db2.gz HBOMAXOZGDQZDX-MVWVFHAYSA-N 2 0 341.543 3.375 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423541361 458454572 /nfs/dbraw/zinc/45/45/72/458454572.db2.gz KQWQNMBTZRELFJ-KVSKMBFKSA-N 2 0 347.934 3.282 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ncc(Br)cc1F ZINC000423537231 458455188 /nfs/dbraw/zinc/45/51/88/458455188.db2.gz CGLIASRKPISQQP-MEWQQHAOSA-N 2 0 342.256 3.022 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000430546737 458458252 /nfs/dbraw/zinc/45/82/52/458458252.db2.gz STBKNTVMKMSWHP-FQEVSTJZSA-N 2 0 345.531 3.212 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586027 458466758 /nfs/dbraw/zinc/46/67/58/458466758.db2.gz XTVGFDCQAMDRFZ-QZTJIDSGSA-N 2 0 343.515 3.412 20 0 EGADRP [NH3+]CC1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000430634405 458473410 /nfs/dbraw/zinc/47/34/10/458473410.db2.gz RQRXFKQQCBLKBG-UHFFFAOYSA-N 2 0 329.488 3.023 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459774561 458475972 /nfs/dbraw/zinc/47/59/72/458475972.db2.gz JFMCOSQRLVEBRT-TYPHKJRUSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459798433 458481662 /nfs/dbraw/zinc/48/16/62/458481662.db2.gz XUOFEYMZAHEIPX-HUUCEWRRSA-N 2 0 337.895 3.379 20 0 EGADRP CN1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423826185 458492224 /nfs/dbraw/zinc/49/22/24/458492224.db2.gz MJNMMQFDNDWGFG-BMFAXAFESA-N 2 0 349.906 3.109 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)c3c[nH+]ccc3N)c2)CC1 ZINC000423843544 458496487 /nfs/dbraw/zinc/49/64/87/458496487.db2.gz KZUNBMRTRRGZMJ-UHFFFAOYSA-N 2 0 338.455 3.021 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C3([NH3+])CCCC3)c2)CC1 ZINC000423857170 458499263 /nfs/dbraw/zinc/49/92/63/458499263.db2.gz YBWMMCNOGUIYQG-UHFFFAOYSA-N 2 0 329.488 3.171 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437843705 458501790 /nfs/dbraw/zinc/50/17/90/458501790.db2.gz RJANHCJPUAIVBK-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430943724 458508808 /nfs/dbraw/zinc/50/88/08/458508808.db2.gz QBMIKYRGZBFYQU-UZLBHIALSA-N 2 0 337.467 3.426 20 0 EGADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cccc2ccccc21 ZINC000431014359 458517503 /nfs/dbraw/zinc/51/75/03/458517503.db2.gz MSYKRDWCPLDKGO-UHFFFAOYSA-N 2 0 337.467 3.244 20 0 EGADRP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431088148 458527767 /nfs/dbraw/zinc/52/77/67/458527767.db2.gz CWKNJNVJKBQFRC-CVEARBPZSA-N 2 0 328.460 3.340 20 0 EGADRP CCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC000431095517 458528869 /nfs/dbraw/zinc/52/88/69/458528869.db2.gz FYYBXRAFFGFGTA-UHFFFAOYSA-N 2 0 341.858 3.272 20 0 EGADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000438092633 458530119 /nfs/dbraw/zinc/53/01/19/458530119.db2.gz AADDZCQVTVVNRO-NHCUHLMSSA-N 2 0 328.500 3.401 20 0 EGADRP Fc1cccc2[nH]c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc21 ZINC000438115101 458535548 /nfs/dbraw/zinc/53/55/48/458535548.db2.gz HAGRKBPCANXGJA-UHFFFAOYSA-N 2 0 345.462 3.384 20 0 EGADRP COCCOCc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000377883201 458562416 /nfs/dbraw/zinc/56/24/16/458562416.db2.gz IRDMXYACVWMZEM-OAQYLSRUSA-N 2 0 346.515 3.013 20 0 EGADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](CC2CC2)CC1)CC1CCCCC1 ZINC000424136526 458568097 /nfs/dbraw/zinc/56/80/97/458568097.db2.gz QTZPKFJHGRJXRO-GOSISDBHSA-N 2 0 335.536 3.055 20 0 EGADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)CC1CCCCC1 ZINC000424155582 458573065 /nfs/dbraw/zinc/57/30/65/458573065.db2.gz MXPZDYZDIJOZJQ-MSOLQXFVSA-N 2 0 335.536 3.197 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000469480491 458576487 /nfs/dbraw/zinc/57/64/87/458576487.db2.gz VKQCJXDGVSBQHC-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC[C@H]1CCC[N@@H+]1C ZINC000469770985 458589709 /nfs/dbraw/zinc/58/97/09/458589709.db2.gz XEWZZUBDDKHHFN-QWFCFKBJSA-N 2 0 329.532 3.217 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)[C@@H](C)C1 ZINC000493895503 458596131 /nfs/dbraw/zinc/59/61/31/458596131.db2.gz XMLQATNTQXCKQJ-SXLOBPIMSA-N 2 0 346.515 3.107 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000424272911 458601180 /nfs/dbraw/zinc/60/11/80/458601180.db2.gz VIMIDTIVBYLOKZ-DZIBYMRMSA-N 2 0 344.499 3.492 20 0 EGADRP [NH3+]C[C@H](CN1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000424278103 458602612 /nfs/dbraw/zinc/60/26/12/458602612.db2.gz CXADPLJJXNIXDK-LJQANCHMSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)c3c(c1)OCCO3)CC[NH2+]CC2 ZINC000424284638 458603681 /nfs/dbraw/zinc/60/36/81/458603681.db2.gz DKPNHQGKMOKOFR-CYBMUJFWSA-N 2 0 336.863 3.075 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1C(C)(C)C)CC[NH2+]CC2 ZINC000424290518 458605445 /nfs/dbraw/zinc/60/54/45/458605445.db2.gz MTAQUNLHTVOWFH-MRXNPFEDSA-N 2 0 343.515 3.387 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431722485 458612695 /nfs/dbraw/zinc/61/26/95/458612695.db2.gz MFPUTOMMRLXOBG-PKOBYXMFSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000494060947 458622492 /nfs/dbraw/zinc/62/24/92/458622492.db2.gz SBVMMEXPLRTIJD-GGPKGHCWSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424379192 458628938 /nfs/dbraw/zinc/62/89/38/458628938.db2.gz OFPXBANOXVERQF-CQSZACIVSA-N 2 0 328.435 3.180 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424380968 458629655 /nfs/dbraw/zinc/62/96/55/458629655.db2.gz QHTCSDOMNWZPHS-KRWDZBQOSA-N 2 0 332.488 3.066 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000424427522 458640283 /nfs/dbraw/zinc/64/02/83/458640283.db2.gz PTIOVWRHFCFEEK-UHFFFAOYSA-N 2 0 344.503 3.230 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430805 458643151 /nfs/dbraw/zinc/64/31/51/458643151.db2.gz DLOOEUHCHGFFTM-SFHVURJKSA-N 2 0 332.492 3.230 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(C)cc(C[NH3+])c2)c1 ZINC000424438597 458645239 /nfs/dbraw/zinc/64/52/39/458645239.db2.gz QFFADWGNNCROQV-UHFFFAOYSA-N 2 0 340.471 3.227 20 0 EGADRP COCC(C)(C)C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000494304669 458656555 /nfs/dbraw/zinc/65/65/55/458656555.db2.gz WDVFDXYMTAWGHB-IAGOWNOFSA-N 2 0 334.504 3.058 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494361425 458663522 /nfs/dbraw/zinc/66/35/22/458663522.db2.gz BXUOSGPWTDYEPR-CVEARBPZSA-N 2 0 341.540 3.388 20 0 EGADRP COCC(C)(C)C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000494388160 458668668 /nfs/dbraw/zinc/66/86/68/458668668.db2.gz VKGHWMWCYZKRKU-CALCHBBNSA-N 2 0 334.504 3.058 20 0 EGADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000463005034 458670922 /nfs/dbraw/zinc/67/09/22/458670922.db2.gz CFTNVSFZSKRWJX-OALUTQOASA-N 2 0 334.504 3.309 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000463026139 458671846 /nfs/dbraw/zinc/67/18/46/458671846.db2.gz ZBQWQMBJRQIBGQ-RBUKOAKNSA-N 2 0 334.504 3.309 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CC[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000494647724 458717647 /nfs/dbraw/zinc/71/76/47/458717647.db2.gz IYLRBHCQXQMJEG-PKOBYXMFSA-N 2 0 343.515 3.298 20 0 EGADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000530358382 458754450 /nfs/dbraw/zinc/75/44/50/458754450.db2.gz FBGFUESIAWHXDA-LJQANCHMSA-N 2 0 336.520 3.055 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494880908 458760005 /nfs/dbraw/zinc/76/00/05/458760005.db2.gz UMZFFLBYQIVFEI-INIZCTEOSA-N 2 0 339.483 3.301 20 0 EGADRP C[C@@H](C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1 ZINC000530411742 458763982 /nfs/dbraw/zinc/76/39/82/458763982.db2.gz ZZZNIULGXVXKIO-SIKLNZKXSA-N 2 0 337.511 3.368 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CCCC13CC[NH+](C)CC3)O[C@@H](C)C2 ZINC000530441957 458767806 /nfs/dbraw/zinc/76/78/06/458767806.db2.gz PEFHIROYISKWQA-HNNXBMFYSA-N 2 0 330.472 3.079 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472452300 458796845 /nfs/dbraw/zinc/79/68/45/458796845.db2.gz XJWIBYRGQUFWDX-SJLPKXTDSA-N 2 0 343.515 3.240 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457131159 458877778 /nfs/dbraw/zinc/87/77/78/458877778.db2.gz UDOGOQXNRWNAPS-FQEVSTJZSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457131160 458878031 /nfs/dbraw/zinc/87/80/31/458878031.db2.gz UDOGOQXNRWNAPS-HXUWFJFHSA-N 2 0 343.515 3.227 20 0 EGADRP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000495542407 458879219 /nfs/dbraw/zinc/87/92/19/458879219.db2.gz RFCVTSVUWUYCCZ-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483630 458888408 /nfs/dbraw/zinc/88/84/08/458888408.db2.gz XWAOEFZOFGUZTP-MELADBBJSA-N 2 0 330.925 3.451 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000556247228 458942302 /nfs/dbraw/zinc/94/23/02/458942302.db2.gz SNUUEOQHXYVLNZ-AEFFLSMTSA-N 2 0 325.456 3.263 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000519387591 458943085 /nfs/dbraw/zinc/94/30/85/458943085.db2.gz MQQBYLDIQZOARC-LAUBAEHRSA-N 2 0 326.484 3.065 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000576943736 458952698 /nfs/dbraw/zinc/95/26/98/458952698.db2.gz VCHQMKLPYFELRC-KGLIPLIRSA-N 2 0 328.378 3.016 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCN1CCCC[C@H]1C ZINC000495849905 458976411 /nfs/dbraw/zinc/97/64/11/458976411.db2.gz LUDPQSCYMBXNFS-JKSUJKDBSA-N 2 0 327.513 3.144 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000476202399 458985265 /nfs/dbraw/zinc/98/52/65/458985265.db2.gz ZEGFEECFKXMMEI-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000531899715 458996891 /nfs/dbraw/zinc/99/68/91/458996891.db2.gz MYJCWOVYRYMYIF-HKUYNNGSSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@@H+]1CC[C@H](NCc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000531945282 459004646 /nfs/dbraw/zinc/00/46/46/459004646.db2.gz USQKBSLGPRFXCG-OCCSQVGLSA-N 2 0 328.403 3.117 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000531948747 459004842 /nfs/dbraw/zinc/00/48/42/459004842.db2.gz MVGBEDKAFHBDRG-MRXNPFEDSA-N 2 0 329.488 3.319 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556876608 459025819 /nfs/dbraw/zinc/02/58/19/459025819.db2.gz CTYNAVUBSYGLLS-NPRSCZTNSA-N 2 0 342.527 3.428 20 0 EGADRP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000577408090 459028755 /nfs/dbraw/zinc/02/87/55/459028755.db2.gz GMLUNUNBGFBBFC-CYBMUJFWSA-N 2 0 328.441 3.435 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000556915696 459033249 /nfs/dbraw/zinc/03/32/49/459033249.db2.gz SKQUOBUVFVEDJI-SUMWQHHRSA-N 2 0 326.431 3.442 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000556952868 459036419 /nfs/dbraw/zinc/03/64/19/459036419.db2.gz VHGMJTLXJDPLFN-QAQDUYKDSA-N 2 0 326.488 3.250 20 0 EGADRP C[C@@H]1CC[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)c2sccc21 ZINC000567042666 459038736 /nfs/dbraw/zinc/03/87/36/459038736.db2.gz QAWCBDAMKJESDE-BXUZGUMPSA-N 2 0 331.489 3.061 20 0 EGADRP Cc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n1C ZINC000577628098 459065491 /nfs/dbraw/zinc/06/54/91/459065491.db2.gz QUJZEIDFGFCMPF-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496124985 459075751 /nfs/dbraw/zinc/07/57/51/459075751.db2.gz QUONLAKZLVNOMK-CVEARBPZSA-N 2 0 339.524 3.286 20 0 EGADRP CC[C@H](C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000532499179 459101030 /nfs/dbraw/zinc/10/10/30/459101030.db2.gz RNIOPYRNQAFDBS-SJLPKXTDSA-N 2 0 333.520 3.352 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000496284132 459136145 /nfs/dbraw/zinc/13/61/45/459136145.db2.gz NNPBXGZAXWSYQM-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000567677859 459143586 /nfs/dbraw/zinc/14/35/86/459143586.db2.gz CINXTJYHOYDFBB-UXHICEINSA-N 2 0 348.531 3.287 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](C2CCC2)CC1)Nc1ccc(Cl)cc1 ZINC000567696800 459148259 /nfs/dbraw/zinc/14/82/59/459148259.db2.gz IHKZHZVFJFIGQK-UHFFFAOYSA-N 2 0 335.879 3.275 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000479559607 459149656 /nfs/dbraw/zinc/14/96/56/459149656.db2.gz VUFWPZDBFOUZBX-AUUYWEPGSA-N 2 0 334.891 3.418 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000567730137 459155450 /nfs/dbraw/zinc/15/54/50/459155450.db2.gz RCSLJUHCDLZJKU-KZNAEPCWSA-N 2 0 345.531 3.169 20 0 EGADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000480142212 459184522 /nfs/dbraw/zinc/18/45/22/459184522.db2.gz AUHNZYRWSNLTTB-KBMXLJTQSA-N 2 0 336.442 3.465 20 0 EGADRP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000567899755 459187042 /nfs/dbraw/zinc/18/70/42/459187042.db2.gz SZTALRZTXIDZDE-KGLIPLIRSA-N 2 0 331.382 3.352 20 0 EGADRP CC(C)[C@@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000480535963 459203521 /nfs/dbraw/zinc/20/35/21/459203521.db2.gz AWVIRWTZFWWNDP-WIYYLYMNSA-N 2 0 347.547 3.398 20 0 EGADRP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786801 459219405 /nfs/dbraw/zinc/21/94/05/459219405.db2.gz NJLTVAKAVWPBDF-SFHVURJKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787103 459219430 /nfs/dbraw/zinc/21/94/30/459219430.db2.gz XBZZRQWUKJYSFP-MJGOQNOKSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000590818983 459231953 /nfs/dbraw/zinc/23/19/53/459231953.db2.gz OVLYUZNSDFDYHK-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000559071153 459235198 /nfs/dbraw/zinc/23/51/98/459235198.db2.gz LSUZCQIEKSPFBO-CTNGQTDRSA-N 2 0 348.506 3.317 20 0 EGADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496580439 459246704 /nfs/dbraw/zinc/24/67/04/459246704.db2.gz CIKIQSBCOWDUJH-WCXIOVBPSA-N 2 0 339.524 3.142 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568249308 459258440 /nfs/dbraw/zinc/25/84/40/459258440.db2.gz NLNBEXATICNCFI-GJZGRUSLSA-N 2 0 341.293 3.250 20 0 EGADRP COC(=O)c1cc2cc(CN3CCC[C@@]4(CC[N@H+](C)C4)C3)ccc2o1 ZINC000595507926 459328604 /nfs/dbraw/zinc/32/86/04/459328604.db2.gz RKGQYGGSSZHFES-FQEVSTJZSA-N 2 0 342.439 3.137 20 0 EGADRP C[C@H]1CCN(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000560528452 459366089 /nfs/dbraw/zinc/36/60/89/459366089.db2.gz GDXDOTOGTVBXQB-PELRDEGISA-N 3 0 329.532 3.361 20 0 EGADRP OCCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000560538683 459368859 /nfs/dbraw/zinc/36/88/59/459368859.db2.gz YVOKLXJAYDXINV-PWRODBHTSA-N 2 0 330.516 3.429 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c(C)c1 ZINC000524637621 459377707 /nfs/dbraw/zinc/37/77/07/459377707.db2.gz MNBNFGWJKKJJSZ-JOCHJYFZSA-N 2 0 338.495 3.338 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000497031645 459412319 /nfs/dbraw/zinc/41/23/19/459412319.db2.gz LILHLSJWSYPOFX-LJQANCHMSA-N 2 0 331.504 3.430 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCC2 ZINC000569456865 459454237 /nfs/dbraw/zinc/45/42/37/459454237.db2.gz GTBIKCHJAUAVGL-FQEVSTJZSA-N 2 0 347.572 3.403 20 0 EGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000569463238 459455691 /nfs/dbraw/zinc/45/56/91/459455691.db2.gz LPNOSGREECCVKM-GFCCVEGCSA-N 2 0 343.393 3.093 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000525996310 459528057 /nfs/dbraw/zinc/52/80/57/459528057.db2.gz GZCQNVMWAREKPC-IAGOWNOFSA-N 2 0 346.515 3.322 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000497433605 459536536 /nfs/dbraw/zinc/53/65/36/459536536.db2.gz GSQZWMVELABPCD-IEBWSBKVSA-N 2 0 348.535 3.017 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000542669031 459579264 /nfs/dbraw/zinc/57/92/64/459579264.db2.gz QWVHZVOEDZMTKC-AHFHCGMESA-N 2 0 333.564 3.064 20 0 EGADRP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000592437159 459599918 /nfs/dbraw/zinc/59/99/18/459599918.db2.gz ASGBNZDPBVPIFC-MKXGPGLRSA-N 2 0 330.472 3.047 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000527197819 459605661 /nfs/dbraw/zinc/60/56/61/459605661.db2.gz OOAXRQVNQQIIMG-LAUBAEHRSA-N 2 0 329.532 3.450 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000562772755 459644284 /nfs/dbraw/zinc/64/42/84/459644284.db2.gz ZCVOPYLQRISWNP-HUUCEWRRSA-N 2 0 344.503 3.168 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000527521988 459654543 /nfs/dbraw/zinc/65/45/43/459654543.db2.gz SXMCZBPOUJMDDW-SJLPKXTDSA-N 2 0 332.488 3.076 20 0 EGADRP CCC(F)(F)C(C)(C)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000527688112 459700031 /nfs/dbraw/zinc/70/00/31/459700031.db2.gz SDIFUZFSGTUNRQ-UHFFFAOYSA-N 2 0 326.435 3.317 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000501438389 459728260 /nfs/dbraw/zinc/72/82/60/459728260.db2.gz TWXSROPGDBEGQP-CALCHBBNSA-N 2 0 334.504 3.237 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527859133 459761272 /nfs/dbraw/zinc/76/12/72/459761272.db2.gz CUJFOBFDKCQODT-KSSFIOAISA-N 2 0 340.870 3.293 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCc1cncn1C ZINC000584789317 459803180 /nfs/dbraw/zinc/80/31/80/459803180.db2.gz XJLCKRDIEKVYLD-ROUUACIJSA-N 2 0 340.515 3.099 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545520823 459836411 /nfs/dbraw/zinc/83/64/11/459836411.db2.gz UELOVEMQGFDMPL-SFHVURJKSA-N 3 0 347.547 3.400 20 0 EGADRP CC1=CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000545865173 459864417 /nfs/dbraw/zinc/86/44/17/459864417.db2.gz FXFANJKBIRTSPZ-BHDDXSALSA-N 2 0 339.527 3.139 20 0 EGADRP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000574792265 459873187 /nfs/dbraw/zinc/87/31/87/459873187.db2.gz XZBMHKRCTNIFNN-BQJUDKOJSA-N 2 0 330.516 3.428 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000575248897 459956075 /nfs/dbraw/zinc/95/60/75/459956075.db2.gz XNDAGSQAHHBWCF-FQEVSTJZSA-N 2 0 346.515 3.040 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])ccc2o1 ZINC000593729026 459966154 /nfs/dbraw/zinc/96/61/54/459966154.db2.gz CRXHNKJXZBCRRO-XJKSGUPXSA-N 2 0 330.428 3.169 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)o1 ZINC000618385443 459991627 /nfs/dbraw/zinc/99/16/27/459991627.db2.gz RYGNXOXJONZMLU-HOTGVXAUSA-N 2 0 335.492 3.114 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000621642700 459994924 /nfs/dbraw/zinc/99/49/24/459994924.db2.gz UECVECQYDJKUMN-UYAOXDASSA-N 2 0 343.515 3.028 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC000618424471 460008037 /nfs/dbraw/zinc/00/80/37/460008037.db2.gz IXDHULDBTLVOTF-OXJNMPFZSA-N 2 0 349.519 3.362 20 0 EGADRP c1[nH]c2nccnc2c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575962388 460040332 /nfs/dbraw/zinc/04/03/32/460040332.db2.gz BDLYPTSMXJNWRC-GOSISDBHSA-N 2 0 349.482 3.301 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000621751469 460048018 /nfs/dbraw/zinc/04/80/18/460048018.db2.gz HGETUZKGQYDEOH-PKOBYXMFSA-N 2 0 329.488 3.194 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000576268599 460104809 /nfs/dbraw/zinc/10/48/09/460104809.db2.gz NLRMTMOMAKISRX-KBXCAEBGSA-N 2 0 334.410 3.379 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387112 460123933 /nfs/dbraw/zinc/12/39/33/460123933.db2.gz ARZSMSNXFILPJU-CALCHBBNSA-N 2 0 326.488 3.478 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000576402262 460134682 /nfs/dbraw/zinc/13/46/82/460134682.db2.gz APQLJDBDPYHKAE-SFHVURJKSA-N 2 0 333.520 3.167 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000576816729 460218891 /nfs/dbraw/zinc/21/88/91/460218891.db2.gz HDUQUIPBTFWGQV-MRXNPFEDSA-N 2 0 335.467 3.112 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599311617 460226070 /nfs/dbraw/zinc/22/60/70/460226070.db2.gz ZFLRWTMUBGWTCF-FXAWDEMLSA-N 2 0 343.515 3.019 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622394610 460257763 /nfs/dbraw/zinc/25/77/63/460257763.db2.gz ORSSWWUBFCOUQZ-HKUYNNGSSA-N 2 0 335.536 3.116 20 0 EGADRP C[C@@H]1CC(F)(F)CC[NH+]1CCOCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000625980080 460325178 /nfs/dbraw/zinc/32/51/78/460325178.db2.gz AQQNTEUHFQLIMQ-ZIAGYGMSSA-N 2 0 340.405 3.242 20 0 EGADRP Cc1ccc(-c2nc(C[NH2+]CCCN(C)CC[NH+](C)C)cs2)cc1 ZINC000623088195 460408063 /nfs/dbraw/zinc/40/80/63/460408063.db2.gz ZJBQNMIPZQLXOP-UHFFFAOYSA-N 2 0 346.544 3.092 20 0 EGADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000631576431 460452497 /nfs/dbraw/zinc/45/24/97/460452497.db2.gz AHRBBZOIKZQGET-SFHVURJKSA-N 2 0 342.531 3.106 20 0 EGADRP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000631584310 460456615 /nfs/dbraw/zinc/45/66/15/460456615.db2.gz YASUWYCTYRLCHY-SFHVURJKSA-N 2 0 338.495 3.331 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000634679179 460472061 /nfs/dbraw/zinc/47/20/61/460472061.db2.gz MZDWSTUZWZWBBI-KXBFYZLASA-N 2 0 339.474 3.135 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000634732715 460498756 /nfs/dbraw/zinc/49/87/56/460498756.db2.gz MWSBIQNDEZBGOK-MRXNPFEDSA-N 2 0 326.444 3.137 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000623358164 460509930 /nfs/dbraw/zinc/50/99/30/460509930.db2.gz QYLKZCCTPOWKST-MRXNPFEDSA-N 2 0 345.466 3.008 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635337980 460749139 /nfs/dbraw/zinc/74/91/39/460749139.db2.gz NYLOPMBBNORTGG-HXUWFJFHSA-N 2 0 343.515 3.160 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000629535030 460799176 /nfs/dbraw/zinc/79/91/76/460799176.db2.gz BSSCTNOQAMEACD-WIYYLYMNSA-N 2 0 345.531 3.486 20 0 EGADRP CN(c1ccccc1)c1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000607167648 460803920 /nfs/dbraw/zinc/80/39/20/460803920.db2.gz ATTGWQZUPFYCHN-UHFFFAOYSA-N 2 0 339.483 3.001 20 0 EGADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000629611899 460829156 /nfs/dbraw/zinc/82/91/56/460829156.db2.gz JPYVVVFTQKZBEP-HXUWFJFHSA-N 2 0 326.484 3.164 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635759781 460912520 /nfs/dbraw/zinc/91/25/20/460912520.db2.gz HSNRISJLPRUHGO-FQEVSTJZSA-N 2 0 341.499 3.280 20 0 EGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)CCC(C)C)CC1 ZINC000613502132 460972559 /nfs/dbraw/zinc/97/25/59/460972559.db2.gz DRVJRJCGSUDHFW-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP Cc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)ncc1Br ZINC000628281432 461071086 /nfs/dbraw/zinc/07/10/86/461071086.db2.gz YWBOFJMABCSXEO-XJKSGUPXSA-N 2 0 338.293 3.069 20 0 EGADRP c1ccc2nc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)cnc2c1 ZINC000628338087 461093664 /nfs/dbraw/zinc/09/36/64/461093664.db2.gz ZCRQXTGKNGVCNZ-UHFFFAOYSA-N 2 0 347.466 3.027 20 0 EGADRP CCc1nocc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000646161339 461110704 /nfs/dbraw/zinc/11/07/04/461110704.db2.gz XRGUFJATVRURJI-UHFFFAOYSA-N 2 0 328.460 3.371 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ncc(-c4cccs4)o3)C2)C1 ZINC000652349352 461142417 /nfs/dbraw/zinc/14/24/17/461142417.db2.gz LMZPKLGDXGCFQC-RRFJBIMHSA-N 2 0 347.484 3.121 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354137 461151490 /nfs/dbraw/zinc/15/14/90/461151490.db2.gz NUMFCGCBPCLNGP-HOCLYGCPSA-N 2 0 335.517 3.186 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000668172332 461156649 /nfs/dbraw/zinc/15/66/49/461156649.db2.gz LDUANFGXKZWUAT-XKGZKEIXSA-N 2 0 332.488 3.016 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290703 461168657 /nfs/dbraw/zinc/16/86/57/461168657.db2.gz IIFHSLJUUUERSK-HOCLYGCPSA-N 2 0 349.906 3.379 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293355 461170346 /nfs/dbraw/zinc/17/03/46/461170346.db2.gz GKUDGJUEIOTIEH-INIZCTEOSA-N 2 0 349.906 3.299 20 0 EGADRP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294189 461171977 /nfs/dbraw/zinc/17/19/77/461171977.db2.gz PQHWEZSYFWBPCG-WMZOPIPTSA-N 2 0 339.487 3.040 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297499 461176290 /nfs/dbraw/zinc/17/62/90/461176290.db2.gz QVBBKFMHRNATQM-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)[C@@H]1CCC[NH3+] ZINC000662312314 461184372 /nfs/dbraw/zinc/18/43/72/461184372.db2.gz AVDYYNZGRXETBF-CZUORRHYSA-N 2 0 332.423 3.215 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)[C@@H]1CCC[NH3+] ZINC000662313524 461186196 /nfs/dbraw/zinc/18/61/96/461186196.db2.gz UHEGOLJUTDIFQF-MLGOLLRUSA-N 2 0 348.878 3.328 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1CCC[NH3+] ZINC000662314805 461186764 /nfs/dbraw/zinc/18/67/64/461186764.db2.gz QKVUTEHQTCWLIR-MLGOLLRUSA-N 2 0 341.858 3.257 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000662317673 461190496 /nfs/dbraw/zinc/19/04/96/461190496.db2.gz ZFDMMOOMSGIJGF-NLWGTHIKSA-N 2 0 332.488 3.019 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)CC1CCCCC1 ZINC000646377477 461219747 /nfs/dbraw/zinc/21/97/47/461219747.db2.gz CLDPPCCCXZQNOA-HSALFYBXSA-N 2 0 349.563 3.303 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646382817 461225086 /nfs/dbraw/zinc/22/50/86/461225086.db2.gz VXWXBVQCMFEJCC-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662390044 461228328 /nfs/dbraw/zinc/22/83/28/461228328.db2.gz HDMMQUNVJYWGNW-SFHVURJKSA-N 2 0 345.531 3.087 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])ccc21 ZINC000662428912 461239867 /nfs/dbraw/zinc/23/98/67/461239867.db2.gz FHJRKJXGJLHOBM-MSOLQXFVSA-N 2 0 342.487 3.049 20 0 EGADRP CCCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000646421052 461250084 /nfs/dbraw/zinc/25/00/84/461250084.db2.gz QCDQIFQSQMJFNN-PKOBYXMFSA-N 2 0 344.503 3.184 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC000655444442 461254315 /nfs/dbraw/zinc/25/43/15/461254315.db2.gz WQSXXJWFYXSMEP-TZIWHRDSSA-N 2 0 341.499 3.247 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445513 461254697 /nfs/dbraw/zinc/25/46/97/461254697.db2.gz AAANHWYWEUCIMN-TZIWHRDSSA-N 2 0 341.499 3.043 20 0 EGADRP CCN(CC(=O)Nc1cccc(C[NH3+])c1)Cc1ccccc1Cl ZINC000646579193 461338540 /nfs/dbraw/zinc/33/85/40/461338540.db2.gz BAXLECIROSVDJZ-UHFFFAOYSA-N 2 0 331.847 3.259 20 0 EGADRP Cc1ccc(CC[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000638275478 461343345 /nfs/dbraw/zinc/34/33/45/461343345.db2.gz SNMAVIFFSGGKOO-JOCHJYFZSA-N 2 0 337.511 3.116 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000662704619 461352358 /nfs/dbraw/zinc/35/23/58/461352358.db2.gz GEGRDMWIKUQTAN-INIZCTEOSA-N 2 0 346.519 3.142 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](c3ccccc3)C3CCC3)C2)CC1 ZINC000641773265 461363142 /nfs/dbraw/zinc/36/31/42/461363142.db2.gz GIJUPLHKRFLHTI-CTNGQTDRSA-N 2 0 327.516 3.286 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nsc4ccccc43)CC2)C1 ZINC000641799949 461377738 /nfs/dbraw/zinc/37/77/38/461377738.db2.gz UEQDNOHFXVGMSH-PBHICJAKSA-N 2 0 331.485 3.015 20 0 EGADRP CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000641802650 461380346 /nfs/dbraw/zinc/38/03/46/461380346.db2.gz AIGOIHUYPREHAS-RBUKOAKNSA-N 2 0 337.467 3.398 20 0 EGADRP c1ccc([C@@H]2C[C@@H](NC[C@@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638360634 461385631 /nfs/dbraw/zinc/38/56/31/461385631.db2.gz XQMQOVCSRINWDI-JLMWRMLUSA-N 2 0 339.527 3.428 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000638373196 461393466 /nfs/dbraw/zinc/39/34/66/461393466.db2.gz NVULYZRGAGGLTE-UHFFFAOYSA-N 2 0 348.506 3.462 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000655729681 461397424 /nfs/dbraw/zinc/39/74/24/461397424.db2.gz IPJMBLWQFSCYNK-UHFFFAOYSA-N 2 0 330.451 3.141 20 0 EGADRP CCO[C@@H]1CCC[NH+](CCC(C)CC[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000662943470 461415502 /nfs/dbraw/zinc/41/55/02/461415502.db2.gz OTOPJSSIQQJNMH-WOJBJXKFSA-N 2 0 340.552 3.405 20 0 EGADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638434290 461427726 /nfs/dbraw/zinc/42/77/26/461427726.db2.gz JXDXEUBIHDOTFJ-QFBILLFUSA-N 2 0 331.504 3.064 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000655780477 461442001 /nfs/dbraw/zinc/44/20/01/461442001.db2.gz NRHVWBTVUHQZOQ-SFHVURJKSA-N 2 0 326.488 3.311 20 0 EGADRP COc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)sn1 ZINC000659872709 461473397 /nfs/dbraw/zinc/47/33/97/461473397.db2.gz GTLCKSMWOBPFSW-UHFFFAOYSA-N 2 0 345.512 3.496 20 0 EGADRP [NH3+]Cc1cccc2c1N(C(=O)c1ccc3c(c1)[C@@H](C[NH3+])CCC3)CCC2 ZINC000638543129 461473890 /nfs/dbraw/zinc/47/38/90/461473890.db2.gz RBFXZBJWDWETRW-GOSISDBHSA-N 2 0 349.478 3.117 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCc3cccc(C[NH3+])c32)o1 ZINC000638546079 461477121 /nfs/dbraw/zinc/47/71/21/461477121.db2.gz ZTZLLDQYULVAJJ-UHFFFAOYSA-N 2 0 341.455 3.173 20 0 EGADRP Cc1cccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000642341659 461501158 /nfs/dbraw/zinc/50/11/58/461501158.db2.gz CYHMLJZXXIRFKI-UHFFFAOYSA-N 2 0 337.511 3.293 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000653108175 461504637 /nfs/dbraw/zinc/50/46/37/461504637.db2.gz LSWHXTCYXSTJKA-FUHWJXTLSA-N 2 0 329.488 3.247 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000631062755 461515218 /nfs/dbraw/zinc/51/52/18/461515218.db2.gz AUKVJDVIMQPLRB-DKFQHHCZSA-N 2 0 329.532 3.098 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C ZINC000659983657 461528613 /nfs/dbraw/zinc/52/86/13/461528613.db2.gz RXHRTLHAVVTBIR-SQNIBIBYSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000659990933 461533239 /nfs/dbraw/zinc/53/32/39/461533239.db2.gz RVPFUYOTVRYXPU-SBHAEUEKSA-N 2 0 329.532 3.171 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000638729399 461552893 /nfs/dbraw/zinc/55/28/93/461552893.db2.gz PBSOTIQQFIEONO-UONOGXRCSA-N 2 0 336.442 3.180 20 0 EGADRP CC[N@H+](CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1)C1CCCCC1 ZINC000653200784 461555130 /nfs/dbraw/zinc/55/51/30/461555130.db2.gz PXZJSDCKQHPDOW-MRXNPFEDSA-N 2 0 331.504 3.481 20 0 EGADRP CC[N@H+](CCCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000653200510 461555281 /nfs/dbraw/zinc/55/52/81/461555281.db2.gz GYYQVHZXLUEECQ-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000631113772 461562013 /nfs/dbraw/zinc/56/20/13/461562013.db2.gz LKIMFFNOPWNIFO-ROUKRRSUSA-N 2 0 329.532 3.241 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1n1ccnc1 ZINC000660112293 461586962 /nfs/dbraw/zinc/58/69/62/461586962.db2.gz JOKHCUQDQFNHME-FGTMMUONSA-N 2 0 346.519 3.051 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253317 461591508 /nfs/dbraw/zinc/59/15/08/461591508.db2.gz PEWKDPQKCOIBDY-HNNXBMFYSA-N 2 0 335.517 3.201 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638915397 461648063 /nfs/dbraw/zinc/64/80/63/461648063.db2.gz LQTUDZYSJRLTGL-QAPCUYQASA-N 2 0 327.447 3.408 20 0 EGADRP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663464646 461653407 /nfs/dbraw/zinc/65/34/07/461653407.db2.gz FOAIDVYTNSVGBB-MJGOQNOKSA-N 2 0 328.500 3.264 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000663466257 461655978 /nfs/dbraw/zinc/65/59/78/461655978.db2.gz QDTUWYIUWYBWBO-WMZOPIPTSA-N 2 0 343.515 3.161 20 0 EGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663470140 461660316 /nfs/dbraw/zinc/66/03/16/461660316.db2.gz SJSUZGZVYTUAEA-PKOBYXMFSA-N 2 0 343.515 3.424 20 0 EGADRP C[NH2+]C[C@H](C)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000663508792 461677426 /nfs/dbraw/zinc/67/74/26/461677426.db2.gz DTNXPQUFRUSPMK-ZDUSSCGKSA-N 2 0 331.847 3.290 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@H+](C)C[C@H]1CCc3nccn3C1)CC2 ZINC000639076642 461709159 /nfs/dbraw/zinc/70/91/59/461709159.db2.gz GWVBPRZLCPJDLT-RHSMWYFYSA-N 2 0 341.455 3.082 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000663584001 461712638 /nfs/dbraw/zinc/71/26/38/461712638.db2.gz ZZERVOCMVHSCKG-HXUWFJFHSA-N 2 0 344.503 3.325 20 0 EGADRP c1ccc(COc2cccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)c2)nc1 ZINC000647483040 461731006 /nfs/dbraw/zinc/73/10/06/461731006.db2.gz TZYHMTNFKJNXTR-UHFFFAOYSA-N 2 0 337.467 3.377 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1CC[NH2+]C1 ZINC000643458583 461734716 /nfs/dbraw/zinc/73/47/16/461734716.db2.gz IAODRMFXDQGCSO-KKJSVHSVSA-N 2 0 332.332 3.484 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000643462209 461734999 /nfs/dbraw/zinc/73/49/99/461734999.db2.gz FXUJIPAEVJZLGR-UZLBHIALSA-N 2 0 325.456 3.138 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@H]2CCCOC2)cc1 ZINC000656406071 461736622 /nfs/dbraw/zinc/73/66/22/461736622.db2.gz LTPUKYYTSOGRNO-WHZJULEDSA-N 2 0 326.484 3.008 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535774 461756417 /nfs/dbraw/zinc/75/64/17/461756417.db2.gz JAYMYJHMOGDCPT-UXHICEINSA-N 2 0 337.467 3.106 20 0 EGADRP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543044 461757313 /nfs/dbraw/zinc/75/73/13/461757313.db2.gz GXDFBRALKSRJME-ZIAGYGMSSA-N 2 0 338.293 3.056 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643545809 461757926 /nfs/dbraw/zinc/75/79/26/461757926.db2.gz CMPFRUZXPPRBON-HIFRSBDPSA-N 2 0 327.472 3.242 20 0 EGADRP C[C@H](Cc1cccs1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000643544691 461758217 /nfs/dbraw/zinc/75/82/17/461758217.db2.gz YPZCVDCDSJBVPA-QGZVFWFLSA-N 2 0 343.540 3.262 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647544509 461759135 /nfs/dbraw/zinc/75/91/35/461759135.db2.gz BVUUJZFLZULOLA-IAGOWNOFSA-N 2 0 342.487 3.200 20 0 EGADRP CO[C@@](C)(C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000639146335 461762836 /nfs/dbraw/zinc/76/28/36/461762836.db2.gz HZXZQAINZPHVFV-FQEVSTJZSA-N 2 0 332.488 3.064 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647550534 461762850 /nfs/dbraw/zinc/76/28/50/461762850.db2.gz WVZYCPHRTDSLIX-SOUVJXGZSA-N 2 0 328.378 3.105 20 0 EGADRP Fc1ccccc1-c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647551578 461764243 /nfs/dbraw/zinc/76/42/43/461764243.db2.gz WIEGCCGGXKLGFC-BFHYXJOUSA-N 2 0 331.460 3.427 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)CC1 ZINC000669690178 461768378 /nfs/dbraw/zinc/76/83/78/461768378.db2.gz ADXVAEKBEVLHTG-KRWDZBQOSA-N 2 0 333.495 3.161 20 0 EGADRP Clc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCOCC2)c1 ZINC000647786718 461834257 /nfs/dbraw/zinc/83/42/57/461834257.db2.gz XIWUTCCLODKROD-FRQCXROJSA-N 2 0 348.918 3.366 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647786224 461834606 /nfs/dbraw/zinc/83/46/06/461834606.db2.gz LDLLCRQTSUVDKJ-XLMAVXFVSA-N 2 0 333.907 3.144 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000647786194 461834943 /nfs/dbraw/zinc/83/49/43/461834943.db2.gz KCINJRSHRMVKCY-FGTMMUONSA-N 2 0 332.488 3.004 20 0 EGADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1OC(F)F ZINC000647789661 461835438 /nfs/dbraw/zinc/83/54/38/461835438.db2.gz ITLKPJYZKZJUMY-NWANDNLSSA-N 2 0 340.414 3.164 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647788919 461835573 /nfs/dbraw/zinc/83/55/73/461835573.db2.gz VJZQFWNZZSYXDX-BHIFYINESA-N 3 0 341.543 3.396 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000647791870 461837195 /nfs/dbraw/zinc/83/71/95/461837195.db2.gz OXZUOQOXCRVGKE-RWMBFGLXSA-N 2 0 327.241 3.066 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000647792911 461838161 /nfs/dbraw/zinc/83/81/61/461838161.db2.gz DUMCAQLDXQYRLS-ROYATCLZSA-N 2 0 326.440 3.355 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC2CCCCC2)n1 ZINC000647793076 461838563 /nfs/dbraw/zinc/83/85/63/461838563.db2.gz KDKFDQLIFJKKJZ-FGTMMUONSA-N 2 0 329.488 3.271 20 0 EGADRP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798814 461841920 /nfs/dbraw/zinc/84/19/20/461841920.db2.gz XTATWCCMXPTTHU-SOUVJXGZSA-N 2 0 330.863 3.003 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1[nH+]ccc2[nH]ccc21 ZINC000647877944 461867008 /nfs/dbraw/zinc/86/70/08/461867008.db2.gz JGTVJFJDVCRDSQ-QGZVFWFLSA-N 2 0 336.439 3.132 20 0 EGADRP CC(C)O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000647911726 461881105 /nfs/dbraw/zinc/88/11/05/461881105.db2.gz IGZVQYAJMKSBDV-WIYYLYMNSA-N 2 0 346.515 3.243 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954157 461886472 /nfs/dbraw/zinc/88/64/72/461886472.db2.gz QZBSHPJSYBSQCW-SFHVURJKSA-N 2 0 338.499 3.402 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(-c2cccs2)n1 ZINC000656784025 461894215 /nfs/dbraw/zinc/89/42/15/461894215.db2.gz XTWVODRWVBVVPY-MRXNPFEDSA-N 2 0 344.528 3.360 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784848 461894315 /nfs/dbraw/zinc/89/43/15/461894315.db2.gz DAVZSIDOUJGJGC-INIZCTEOSA-N 2 0 342.462 3.427 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785583 461896195 /nfs/dbraw/zinc/89/61/95/461896195.db2.gz MJRXYBPTQGEFIM-KRWDZBQOSA-N 2 0 325.456 3.152 20 0 EGADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706071 461899899 /nfs/dbraw/zinc/89/98/99/461899899.db2.gz CUWXSIGIAUQVQD-ZJOUEHCJSA-N 2 0 346.515 3.440 20 0 EGADRP [NH3+]C1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCC1 ZINC000656788954 461899983 /nfs/dbraw/zinc/89/99/83/461899983.db2.gz HAJXPHMWOBJDJZ-UHFFFAOYSA-N 2 0 339.886 3.305 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000650706224 461900154 /nfs/dbraw/zinc/90/01/54/461900154.db2.gz GQWHWLCBVLDFQY-USXIJHARSA-N 2 0 342.405 3.424 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707875 461901174 /nfs/dbraw/zinc/90/11/74/461901174.db2.gz OSCXGFCCAQEPDY-HZEGPAAWSA-N 2 0 330.516 3.474 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709036 461902627 /nfs/dbraw/zinc/90/26/27/461902627.db2.gz ZVZVJXUBRDNMEJ-FPOVZHCZSA-N 2 0 338.499 3.109 20 0 EGADRP Clc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996867 461904316 /nfs/dbraw/zinc/90/43/16/461904316.db2.gz JPFKECPLNWJKJK-INIZCTEOSA-N 2 0 330.863 3.494 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)[C@H]1CC[NH3+] ZINC000650711081 461905838 /nfs/dbraw/zinc/90/58/38/461905838.db2.gz HPFKNZMBOZMOJS-YJBOKZPZSA-N 2 0 326.444 3.218 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660655099 461906163 /nfs/dbraw/zinc/90/61/63/461906163.db2.gz KKRKJHYYSJJZQK-YLJYHZDGSA-N 2 0 329.488 3.048 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1C ZINC000650718080 461909890 /nfs/dbraw/zinc/90/98/90/461909890.db2.gz XIMCYVDKQGDAAW-CQSZACIVSA-N 2 0 343.446 3.408 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000650723715 461915695 /nfs/dbraw/zinc/91/56/95/461915695.db2.gz SGDXEZUDPTVSGP-OIISXLGYSA-N 2 0 326.843 3.340 20 0 EGADRP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723822 461916246 /nfs/dbraw/zinc/91/62/46/461916246.db2.gz UOHVXIKXLTZZEH-DJIMGWMZSA-N 2 0 337.533 3.202 20 0 EGADRP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975741 461916687 /nfs/dbraw/zinc/91/66/87/461916687.db2.gz FKCQFHMLOSCOSN-DLBZAZTESA-N 2 0 340.471 3.257 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000650723640 461917064 /nfs/dbraw/zinc/91/70/64/461917064.db2.gz RHQBFKAQCMJNHP-HYVNUMGLSA-N 2 0 326.843 3.340 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976105 461917774 /nfs/dbraw/zinc/91/77/74/461917774.db2.gz KCJOLKOQJIZARY-RCCFBDPRSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647976110 461918535 /nfs/dbraw/zinc/91/85/35/461918535.db2.gz KECWMMSEWRHIQK-BBWFWOEESA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647976623 461919067 /nfs/dbraw/zinc/91/90/67/461919067.db2.gz RFQPPESCWCSKCH-FHWLQOOXSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000667039615 461924496 /nfs/dbraw/zinc/92/44/96/461924496.db2.gz ZUPWQKWSPGWLMK-ZBFHGGJFSA-N 2 0 338.455 3.250 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000650762327 461940109 /nfs/dbraw/zinc/94/01/09/461940109.db2.gz ZYJXMLZONHOOML-RTBURBONSA-N 2 0 336.907 3.409 20 0 EGADRP COc1cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)ccc1OC(F)F ZINC000650763986 461941482 /nfs/dbraw/zinc/94/14/82/461941482.db2.gz NOBKFCRXXNHCGG-LBPRGKRZSA-N 2 0 328.403 3.337 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000650763288 461942464 /nfs/dbraw/zinc/94/24/64/461942464.db2.gz WYDXEDQJAHXAFY-FKBYEOEOSA-N 2 0 341.543 3.266 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000648047957 461958392 /nfs/dbraw/zinc/95/83/92/461958392.db2.gz VJWRVCCLEWNVPW-UYAOXDASSA-N 2 0 332.488 3.018 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2ccccc2F)c1 ZINC000644519247 461967995 /nfs/dbraw/zinc/96/79/95/461967995.db2.gz BKEXBZPAZKQLMN-UHFFFAOYSA-N 2 0 329.419 3.006 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C)CC1 ZINC000639577493 462000958 /nfs/dbraw/zinc/00/09/58/462000958.db2.gz JMOXHVZCNCEGSZ-GVDBMIGSSA-N 2 0 349.494 3.043 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C[NH+]1CCCCC1 ZINC000657316235 462041154 /nfs/dbraw/zinc/04/11/54/462041154.db2.gz CPSBGJRCERWNQH-PXNSSMCTSA-N 2 0 332.488 3.066 20 0 EGADRP Cc1cc(NC(=O)N[C@H]2CCC[NH2+]CC2)cnc1N1CCCC[C@@H]1C ZINC000667345702 462050086 /nfs/dbraw/zinc/05/00/86/462050086.db2.gz OJAQRRSEPRFMRR-HOTGVXAUSA-N 2 0 345.491 3.032 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)CN1CC[NH+](C)CC1 ZINC000657347351 462061981 /nfs/dbraw/zinc/06/19/81/462061981.db2.gz XSDLSMBFMVKRNT-KRWDZBQOSA-N 2 0 343.540 3.388 20 0 EGADRP Cn1nc(C(F)(F)F)cc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000657358674 462070554 /nfs/dbraw/zinc/07/05/54/462070554.db2.gz LMISHOBMXAJWHL-UHFFFAOYSA-N 2 0 332.414 3.185 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc21 ZINC000657364709 462073493 /nfs/dbraw/zinc/07/34/93/462073493.db2.gz ODOTVGCJNQWAKJ-MRXNPFEDSA-N 2 0 327.472 3.067 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc3ccncc3s2)C[C@@H](C)O1 ZINC000657367308 462076329 /nfs/dbraw/zinc/07/63/29/462076329.db2.gz OEANWFZKYZYXSO-HUUCEWRRSA-N 2 0 333.501 3.275 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)o1 ZINC000644826202 462092309 /nfs/dbraw/zinc/09/23/09/462092309.db2.gz JBNOHDUZOCEKSK-MRXNPFEDSA-N 2 0 347.503 3.068 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000648448287 462123988 /nfs/dbraw/zinc/12/39/88/462123988.db2.gz ZNUFXEOVRXNGHL-KBAYOESNSA-N 2 0 349.494 3.186 20 0 EGADRP CN(Cc1ccnn1CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620924 462177059 /nfs/dbraw/zinc/17/70/59/462177059.db2.gz UPAYTSOJCJRWPM-HXUWFJFHSA-N 2 0 338.499 3.247 20 0 EGADRP COc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657611700 462204007 /nfs/dbraw/zinc/20/40/07/462204007.db2.gz DDSXCZZMNUUNTL-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645191771 462227241 /nfs/dbraw/zinc/22/72/41/462227241.db2.gz QETFBGBQPBVABE-OAQYLSRUSA-N 2 0 346.515 3.192 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667729537 462234894 /nfs/dbraw/zinc/23/48/94/462234894.db2.gz LUCSRVJWEIFHBW-HNNXBMFYSA-N 2 0 340.471 3.396 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731151 462235540 /nfs/dbraw/zinc/23/55/40/462235540.db2.gz MSELFKKNXWTUGI-HOTGVXAUSA-N 2 0 332.492 3.025 20 0 EGADRP c1cc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CC3CC3)CC2)cs1 ZINC000657813256 462279973 /nfs/dbraw/zinc/27/99/73/462279973.db2.gz MBGMKDZKZNMJDY-UHFFFAOYSA-N 2 0 330.501 3.350 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CCC1 ZINC000657826955 462287246 /nfs/dbraw/zinc/28/72/46/462287246.db2.gz JVINNZLJLDWGAP-BZSNNMDCSA-N 2 0 346.515 3.343 20 0 EGADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000657885550 462306808 /nfs/dbraw/zinc/30/68/08/462306808.db2.gz FZWIHUMBPRNEAK-HXUWFJFHSA-N 2 0 330.516 3.309 20 0 EGADRP CCCc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c2ccccc2[nH+]1 ZINC000645384974 462307212 /nfs/dbraw/zinc/30/72/12/462307212.db2.gz OEMQMYLUOHYZMS-UHFFFAOYSA-N 2 0 339.483 3.488 20 0 EGADRP C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000651699089 462307893 /nfs/dbraw/zinc/30/78/93/462307893.db2.gz GRHVQMROOHEELB-LPHOPBHVSA-N 2 0 331.504 3.036 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCC3)[C@H](C)C1 ZINC000651709572 462310675 /nfs/dbraw/zinc/31/06/75/462310675.db2.gz AFXPWTHMFWBFIX-DYESRHJHSA-N 2 0 330.516 3.402 20 0 EGADRP CC[NH+](CC)CCN(Cc1cncn1C)Cc1ccc(Cl)cc1 ZINC000661575804 462316369 /nfs/dbraw/zinc/31/63/69/462316369.db2.gz MFURCRIGGPCENU-UHFFFAOYSA-N 2 0 334.895 3.418 20 0 EGADRP Clc1cc(Cl)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665229375 462359957 /nfs/dbraw/zinc/35/99/57/462359957.db2.gz WYSCKCKKDNCWJO-OWCLPIDISA-N 2 0 329.271 3.240 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090808 462380400 /nfs/dbraw/zinc/38/04/00/462380400.db2.gz JRLDQNABJAEXLX-WMZOPIPTSA-N 2 0 333.520 3.150 20 0 EGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000658357414 462488563 /nfs/dbraw/zinc/48/85/63/462488563.db2.gz ORTSHZHFFIISAV-OAHLLOKOSA-N 2 0 329.488 3.418 20 0 EGADRP c1ccc(CN2CCC[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000658355470 462488806 /nfs/dbraw/zinc/48/88/06/462488806.db2.gz IVAIWDHEZHJVGB-QFIPXVFZSA-N 2 0 341.543 3.363 20 0 EGADRP COc1ccc(OC)c([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000658358570 462489847 /nfs/dbraw/zinc/48/98/47/462489847.db2.gz WLKOPSMZSGJZDJ-HNNXBMFYSA-N 2 0 332.488 3.476 20 0 EGADRP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000649411917 462502221 /nfs/dbraw/zinc/50/22/21/462502221.db2.gz URAXALQPXQMHJU-IBGZPJMESA-N 2 0 326.488 3.490 20 0 EGADRP CCn1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2c1cccc2F ZINC000649417829 462504426 /nfs/dbraw/zinc/50/44/26/462504426.db2.gz KBLRSIKTCCRLCQ-HOTGVXAUSA-N 2 0 344.478 3.407 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000646105865 462518732 /nfs/dbraw/zinc/51/87/32/462518732.db2.gz KCRJWMXKRMEHRG-UZLBHIALSA-N 2 0 337.467 3.053 20 0 EGADRP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000474889227 517481351 /nfs/dbraw/zinc/48/13/51/517481351.db2.gz RSOMRYPZEWVCQB-PMACEKPBSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](C3CCOCC3)CC2)c1C ZINC000181930852 534670512 /nfs/dbraw/zinc/67/05/12/534670512.db2.gz GUQWHAVKCKOEIP-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000181917865 527833019 /nfs/dbraw/zinc/83/30/19/527833019.db2.gz RQGQIYCKVSCJMC-RTBURBONSA-N 2 0 329.488 3.235 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155024409 528163095 /nfs/dbraw/zinc/16/30/95/528163095.db2.gz CQJKHGZQAWAPNF-QZTJIDSGSA-N 2 0 333.520 3.008 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000177877454 528551573 /nfs/dbraw/zinc/55/15/73/528551573.db2.gz APGULFRXZKTHLX-TXPKVOOTSA-N 2 0 331.504 3.035 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000133157155 528593341 /nfs/dbraw/zinc/59/33/41/528593341.db2.gz FWJCKFBGGPEHMZ-IAGOWNOFSA-N 2 0 332.488 3.237 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000191377788 529041192 /nfs/dbraw/zinc/04/11/92/529041192.db2.gz KMAKRUWQNAZIDX-UHFFFAOYSA-N 2 0 333.495 3.206 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000191605205 529042770 /nfs/dbraw/zinc/04/27/70/529042770.db2.gz DOVXRSCUPXMTLP-OAHLLOKOSA-N 2 0 325.447 3.032 20 0 EGADRP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C(C)(C)O1 ZINC000182237303 529139694 /nfs/dbraw/zinc/13/96/94/529139694.db2.gz VEEQYGRFUOJDLP-RTBURBONSA-N 2 0 346.515 3.079 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000154485815 529143614 /nfs/dbraw/zinc/14/36/14/529143614.db2.gz SWXRWXIZDUGSTD-CQSZACIVSA-N 2 0 343.437 3.172 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(F)c1 ZINC000188286448 529186940 /nfs/dbraw/zinc/18/69/40/529186940.db2.gz VGSGDMAXLFUFKS-GOSISDBHSA-N 2 0 331.435 3.402 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000344798184 535577743 /nfs/dbraw/zinc/57/77/43/535577743.db2.gz BKQRWXIWQHUKII-WMZOPIPTSA-N 2 0 329.492 3.257 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354678656 535579646 /nfs/dbraw/zinc/57/96/46/535579646.db2.gz UUYYXAXKVKSTJC-GBESFXJTSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000266080975 535600584 /nfs/dbraw/zinc/60/05/84/535600584.db2.gz XWTBHIYHXRYJLG-IBGZPJMESA-N 2 0 343.515 3.086 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000266080977 535600875 /nfs/dbraw/zinc/60/08/75/535600875.db2.gz XWTBHIYHXRYJLG-LJQANCHMSA-N 2 0 343.515 3.086 20 0 EGADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000363922358 536034414 /nfs/dbraw/zinc/03/44/14/536034414.db2.gz FCVFFKLSLKXZKM-OALUTQOASA-N 2 0 326.488 3.298 20 0 EGADRP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CC[NH+](C)CC1 ZINC000089728350 546648467 /nfs/dbraw/zinc/64/84/67/546648467.db2.gz XOABPIROMPQCPG-CYBMUJFWSA-N 2 0 348.878 3.252 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000125444474 546752356 /nfs/dbraw/zinc/75/23/56/546752356.db2.gz CEQYDVRAMSHBMG-UHFFFAOYSA-N 3 0 335.561 3.424 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134295600 546827567 /nfs/dbraw/zinc/82/75/67/546827567.db2.gz WCSDUZRTMXEMRT-INIZCTEOSA-N 2 0 342.314 3.208 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)C1CC[NH+](C)CC1 ZINC000154496406 546891963 /nfs/dbraw/zinc/89/19/63/546891963.db2.gz FWTKJJUMASJZPR-OAHLLOKOSA-N 2 0 326.488 3.121 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000155108031 546899421 /nfs/dbraw/zinc/89/94/21/546899421.db2.gz VCFOCPLKCMZVDX-BBRMVZONSA-N 2 0 339.936 3.102 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000161595918 546957691 /nfs/dbraw/zinc/95/76/91/546957691.db2.gz GXDJHLKOYVYKAE-OAHLLOKOSA-N 2 0 344.503 3.496 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000162569406 546967049 /nfs/dbraw/zinc/96/70/49/546967049.db2.gz YSYRZWVEJVMKNP-MRXNPFEDSA-N 2 0 339.936 3.104 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000165963280 546985082 /nfs/dbraw/zinc/98/50/82/546985082.db2.gz JMBYSRPTJQBOLI-NSHGMRRFSA-N 2 0 343.515 3.049 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000166432929 546988130 /nfs/dbraw/zinc/98/81/30/546988130.db2.gz QZYSYCGLOCSAHU-LSDHHAIUSA-N 2 0 340.414 3.056 20 0 EGADRP COc1cccc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1F ZINC000192679069 547202499 /nfs/dbraw/zinc/20/24/99/547202499.db2.gz FQUYZUBREWCFFQ-UHFFFAOYSA-N 2 0 346.446 3.455 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000279994306 547369001 /nfs/dbraw/zinc/36/90/01/547369001.db2.gz FNMLEZLBOSXOIU-GOSISDBHSA-N 2 0 332.488 3.403 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339065410 547567395 /nfs/dbraw/zinc/56/73/95/547567395.db2.gz BHNVRNTUYVAAOD-ROUUACIJSA-N 3 0 333.545 3.177 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000339236668 547571728 /nfs/dbraw/zinc/57/17/28/547571728.db2.gz HAOQWGYWMNCNLI-MSOLQXFVSA-N 2 0 347.503 3.187 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)CC2 ZINC000358919848 547747783 /nfs/dbraw/zinc/74/77/83/547747783.db2.gz YLBXFVXHKPYSAX-CRAIPNDOSA-N 2 0 332.488 3.403 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000391883312 547831259 /nfs/dbraw/zinc/83/12/59/547831259.db2.gz MSFVCSVQKLEYEP-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H]2CN(C)Cc3ccccc32)c1 ZINC000534543000 548046705 /nfs/dbraw/zinc/04/67/05/548046705.db2.gz DZPSXJFTNMRGPL-LJQANCHMSA-N 2 0 346.434 3.097 20 0 EGADRP C[NH+]1CCC(N(C(=O)c2ccc3c[nH+]cn3c2)c2ccccc2)CC1 ZINC000671181523 548257271 /nfs/dbraw/zinc/25/72/71/548257271.db2.gz OYYPDSIYUDRTMB-UHFFFAOYSA-N 2 0 334.423 3.075 20 0 EGADRP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000673962341 548662959 /nfs/dbraw/zinc/66/29/59/548662959.db2.gz LMALLDWLWICJLT-FOIQADDNSA-N 2 0 326.440 3.239 20 0 EGADRP Cc1cc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(C)c1F ZINC000675876783 548995451 /nfs/dbraw/zinc/99/54/51/548995451.db2.gz SOTDKPKYXDLJBH-AEFFLSMTSA-N 2 0 333.495 3.262 20 0 EGADRP Cc1nc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676840037 549165611 /nfs/dbraw/zinc/16/56/11/549165611.db2.gz WFUPOIAFMFVVGN-MJBXVCDLSA-N 2 0 325.522 3.300 20 0 EGADRP CCn1ccnc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000677129213 549214335 /nfs/dbraw/zinc/21/43/35/549214335.db2.gz OACVNYBXIAGLQE-PKOBYXMFSA-N 2 0 326.488 3.293 20 0 EGADRP Fc1ccc(Br)cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677238067 549234635 /nfs/dbraw/zinc/23/46/35/549234635.db2.gz VTXOZRQWMDEXHQ-GJZGRUSLSA-N 2 0 341.268 3.347 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000677240104 549235421 /nfs/dbraw/zinc/23/54/21/549235421.db2.gz SYULIDBEBVXSKH-ZQONDGBOSA-N 2 0 341.543 3.359 20 0 EGADRP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000678285798 549460362 /nfs/dbraw/zinc/46/03/62/549460362.db2.gz GOFHVVLBXXPPTN-UUNCMCMBSA-N 2 0 327.516 3.048 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(C)n1 ZINC000678413554 549487032 /nfs/dbraw/zinc/48/70/32/549487032.db2.gz JSHPWASFVXCXOG-MRXNPFEDSA-N 2 0 327.472 3.490 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000678654106 549543249 /nfs/dbraw/zinc/54/32/49/549543249.db2.gz WSAMSTBTKJJUBF-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679339305 549691654 /nfs/dbraw/zinc/69/16/54/549691654.db2.gz GYLCMQBJDFKXMC-HNNXBMFYSA-N 2 0 328.460 3.044 20 0 EGADRP COCC1(C)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000679422227 549708354 /nfs/dbraw/zinc/70/83/54/549708354.db2.gz JTTZOWHSZTTWNW-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000679484146 549718051 /nfs/dbraw/zinc/71/80/51/549718051.db2.gz FZBHIJRNTPMXIZ-IBGZPJMESA-N 2 0 329.532 3.361 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000680651581 549890547 /nfs/dbraw/zinc/89/05/47/549890547.db2.gz YPJTYKJOLBXLNR-UHFFFAOYSA-N 2 0 344.499 3.164 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C2CC2)O1 ZINC000684411148 550326814 /nfs/dbraw/zinc/32/68/14/550326814.db2.gz BBLSVHFXPXWYMC-DYESRHJHSA-N 2 0 344.499 3.161 20 0 EGADRP COC1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000684836530 550374720 /nfs/dbraw/zinc/37/47/20/550374720.db2.gz XVQVHKARBKGDER-UHFFFAOYSA-N 2 0 346.515 3.215 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457617 550418969 /nfs/dbraw/zinc/41/89/69/550418969.db2.gz HCAXZUUUIBWJNG-DENIHFKCSA-N 2 0 343.559 3.356 20 0 EGADRP CC[C@@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457572 550419157 /nfs/dbraw/zinc/41/91/57/550419157.db2.gz FGNCGRMMCMDTHX-GHTZIAJQSA-N 2 0 329.532 3.281 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000685464424 550420249 /nfs/dbraw/zinc/42/02/49/550420249.db2.gz IAVHVQKENXHLGQ-WOJBJXKFSA-N 2 0 346.515 3.266 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000728572144 574759268 /nfs/dbraw/zinc/75/92/68/574759268.db2.gz SKSBUSOXISOCBG-GOSISDBHSA-N 2 0 326.431 3.050 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000729525180 574868109 /nfs/dbraw/zinc/86/81/09/574868109.db2.gz GBIQUUXZPQVERB-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)sc2nc(C)nc(C)c12 ZINC000742733867 576794475 /nfs/dbraw/zinc/79/44/75/576794475.db2.gz HMALJUHWYFLHJK-OAHLLOKOSA-N 2 0 332.517 3.436 20 0 EGADRP Oc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)OCO2 ZINC000054487840 1291753428 /nfs/dbraw/zinc/75/34/28/1291753428.db2.gz JAMFGQTVHDOJBH-UHFFFAOYSA-N 2 0 346.471 3.209 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000065996782 1292103472 /nfs/dbraw/zinc/10/34/72/1292103472.db2.gz MSAPIDAUHSTSNH-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)Nc1cccc(OCC[NH3+])c1)c1ccccc1 ZINC000832607501 1293026384 /nfs/dbraw/zinc/02/63/84/1293026384.db2.gz YXDORPQIRFKXIL-IBGZPJMESA-N 2 0 341.455 3.046 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)c1 ZINC000105449249 1293035887 /nfs/dbraw/zinc/03/58/87/1293035887.db2.gz GCCFACHXXVVNIM-UHFFFAOYSA-N 2 0 335.455 3.213 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000118869622 1293244611 /nfs/dbraw/zinc/24/46/11/1293244611.db2.gz BZEDHEQRFWIEQK-FQEVSTJZSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)OCC[NH+]1CCC(NCc2cc(Cl)ccc2F)CC1 ZINC000119452908 1293270952 /nfs/dbraw/zinc/27/09/52/1293270952.db2.gz IRUYVNRWRPGUFO-UHFFFAOYSA-N 2 0 328.859 3.458 20 0 EGADRP C[C@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000120944344 1293347087 /nfs/dbraw/zinc/34/70/87/1293347087.db2.gz LSKJAUUFVRBARV-CQSZACIVSA-N 2 0 330.394 3.449 20 0 EGADRP c1sc2ccccc2c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000130351927 1293653741 /nfs/dbraw/zinc/65/37/41/1293653741.db2.gz USPYIZXMNDIYRX-HNNXBMFYSA-N 2 0 330.497 3.492 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000132206785 1293712378 /nfs/dbraw/zinc/71/23/78/1293712378.db2.gz DMBGDAZNSWRTTI-SFHVURJKSA-N 2 0 347.503 3.237 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000133163958 1293738196 /nfs/dbraw/zinc/73/81/96/1293738196.db2.gz SCZZXSXUAROPEV-UHFFFAOYSA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)c1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000136212209 1293813024 /nfs/dbraw/zinc/81/30/24/1293813024.db2.gz UTZUUELLQPZAED-UHFFFAOYSA-N 2 0 327.472 3.435 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)cc1Br ZINC000136309266 1293813876 /nfs/dbraw/zinc/81/38/76/1293813876.db2.gz AFJWHDIVGKAXCJ-AWEZNQCLSA-N 2 0 347.272 3.035 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1C ZINC000136576787 1293817890 /nfs/dbraw/zinc/81/78/90/1293817890.db2.gz FHLFRNHAARZRHD-LEWJYISDSA-N 2 0 330.516 3.469 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000160098035 1294258009 /nfs/dbraw/zinc/25/80/09/1294258009.db2.gz YTSBKJHMDRKKBC-INIZCTEOSA-N 2 0 326.488 3.393 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000161137584 1294285625 /nfs/dbraw/zinc/28/56/25/1294285625.db2.gz KTLQKSKGVDWLJW-QFBILLFUSA-N 2 0 346.475 3.026 20 0 EGADRP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166567717 1294362697 /nfs/dbraw/zinc/36/26/97/1294362697.db2.gz CSUDIXSQZZOJFJ-BRWVUGGUSA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000173343823 1294460251 /nfs/dbraw/zinc/46/02/51/1294460251.db2.gz SRFKIOPTNFLZIG-DLBZAZTESA-N 2 0 339.524 3.145 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Br)cc1O ZINC000185359521 1295259593 /nfs/dbraw/zinc/25/95/93/1295259593.db2.gz ILVDZKCQMUERNL-LLVKDONJSA-N 2 0 327.266 3.147 20 0 EGADRP CN1c2ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc2CCC1=O ZINC000187246671 1295377854 /nfs/dbraw/zinc/37/78/54/1295377854.db2.gz DDWHMRMRMGHGKD-GOSISDBHSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870867538 1296121177 /nfs/dbraw/zinc/12/11/77/1296121177.db2.gz QLMPBCOGPMCOBW-MBOZVWFJSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)ccc1OC ZINC000249111535 1296437648 /nfs/dbraw/zinc/43/76/48/1296437648.db2.gz RHBHBNJWYWZAMI-FRQCXROJSA-N 2 0 334.504 3.349 20 0 EGADRP c1cc(Nc2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)cc2)cc[nH+]1 ZINC000871796162 1296537966 /nfs/dbraw/zinc/53/79/66/1296537966.db2.gz KJSDPLZTRCMMLC-DODVFSASSA-N 2 0 347.422 3.295 20 0 EGADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261538173 1296593951 /nfs/dbraw/zinc/59/39/51/1296593951.db2.gz NLFBLYFONNBMLP-JSXRDJHFSA-N 2 0 327.516 3.161 20 0 EGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cccc(Cl)c1 ZINC000261842168 1296605595 /nfs/dbraw/zinc/60/55/95/1296605595.db2.gz YRTXPCWGWCCDKC-KRWDZBQOSA-N 2 0 335.879 3.133 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccsc1 ZINC000262952283 1296654584 /nfs/dbraw/zinc/65/45/84/1296654584.db2.gz JVMWCMVOZURLTJ-LZLYRXPVSA-N 2 0 337.533 3.155 20 0 EGADRP C[C@H](CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000263282753 1296673638 /nfs/dbraw/zinc/67/36/38/1296673638.db2.gz SLBMYXCBMZAJFA-GGPKGHCWSA-N 2 0 345.531 3.039 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CCCC2 ZINC000872052057 1296702706 /nfs/dbraw/zinc/70/27/06/1296702706.db2.gz AUQPGEMSNLULOI-SFHVURJKSA-N 2 0 330.472 3.323 20 0 EGADRP C[N@H+](CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000301636506 1296790524 /nfs/dbraw/zinc/79/05/24/1296790524.db2.gz BMBQBUQISCMKDW-INIZCTEOSA-N 2 0 339.524 3.240 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000301962842 1296795445 /nfs/dbraw/zinc/79/54/45/1296795445.db2.gz PJCSGZDOROVGJZ-BRWVUGGUSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872302107 1296905130 /nfs/dbraw/zinc/90/51/30/1296905130.db2.gz OTAYCQRFNFRSKZ-SXLOBPIMSA-N 2 0 349.563 3.397 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(CO)CC2)cc1C[NH+]1CCCCC1 ZINC000305757154 1297044191 /nfs/dbraw/zinc/04/41/91/1297044191.db2.gz BLKDKXOSICQOFM-INIZCTEOSA-N 2 0 332.488 3.104 20 0 EGADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000309887391 1297077678 /nfs/dbraw/zinc/07/76/78/1297077678.db2.gz ZXBRRLQUAKMDLC-UHFFFAOYSA-N 2 0 327.513 3.142 20 0 EGADRP C[C@]1(CNC2CC[NH+](C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000310303932 1297093556 /nfs/dbraw/zinc/09/35/56/1297093556.db2.gz UZYCJJAZAOGZLV-OAQYLSRUSA-N 2 0 327.516 3.115 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(CC[NH3+])cc1)c1ccccc1 ZINC000327272986 1297247092 /nfs/dbraw/zinc/24/70/92/1297247092.db2.gz SGUIYMBPMWGXIA-FQEVSTJZSA-N 2 0 339.483 3.001 20 0 EGADRP Cc1ccc(Br)c(F)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000873101063 1297273293 /nfs/dbraw/zinc/27/32/93/1297273293.db2.gz NABOOWXVYGPAAJ-UHFFFAOYSA-N 2 0 327.241 3.248 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](n2cncn2)C1 ZINC000340535624 1297314377 /nfs/dbraw/zinc/31/43/77/1297314377.db2.gz VNZRPNJLKAWSDY-BTHPGYMESA-N 2 0 345.535 3.395 20 0 EGADRP Fc1cccc(O[C@@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)c1 ZINC000873207795 1297353711 /nfs/dbraw/zinc/35/37/11/1297353711.db2.gz CTSHKSBLLDJLEC-MRXNPFEDSA-N 2 0 332.444 3.186 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC[NH2+]CC1 ZINC000873221727 1297361658 /nfs/dbraw/zinc/36/16/58/1297361658.db2.gz OTWNWYCCCKYBDL-MRXNPFEDSA-N 2 0 325.456 3.138 20 0 EGADRP COc1cc(C)c(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cc1OC ZINC000873232537 1297375372 /nfs/dbraw/zinc/37/53/72/1297375372.db2.gz GHJSFYPAWMXLPP-LJQANCHMSA-N 2 0 332.488 3.414 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)ccc1OC ZINC000873232741 1297375544 /nfs/dbraw/zinc/37/55/44/1297375544.db2.gz KDNFYHDOJVKFEC-LJQANCHMSA-N 2 0 332.488 3.496 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1Cn1cccn1 ZINC000873240272 1297382257 /nfs/dbraw/zinc/38/22/57/1297382257.db2.gz MWXBGDTZAQEPNI-GPMSIDNRSA-N 2 0 342.487 3.108 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873259287 1297392789 /nfs/dbraw/zinc/39/27/89/1297392789.db2.gz BNKVENGPMXYDKM-IDHPPYADSA-N 2 0 347.934 3.425 20 0 EGADRP Fc1ccc([C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)nc1 ZINC000873262684 1297396706 /nfs/dbraw/zinc/39/67/06/1297396706.db2.gz BIFNRJQPTMUYQA-MKNHVETJSA-N 2 0 325.431 3.430 20 0 EGADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000873283114 1297409350 /nfs/dbraw/zinc/40/93/50/1297409350.db2.gz YTRIVELAJXDKDJ-FRRDWIJNSA-N 2 0 334.407 3.014 20 0 EGADRP CCC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC)cc1 ZINC000873289351 1297411274 /nfs/dbraw/zinc/41/12/74/1297411274.db2.gz HYGMHXZIKRCZOW-MOPGFXCFSA-N 2 0 332.488 3.285 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290139 1297412725 /nfs/dbraw/zinc/41/27/25/1297412725.db2.gz BEVXTSACDYDJHU-HSALFYBXSA-N 2 0 328.500 3.379 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290898 1297412949 /nfs/dbraw/zinc/41/29/49/1297412949.db2.gz BQJJBUWMZUIUNR-GUDVDZBRSA-N 2 0 343.515 3.165 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c1 ZINC000873293297 1297415492 /nfs/dbraw/zinc/41/54/92/1297415492.db2.gz YVZTWIPRBPCCAW-UXHICEINSA-N 2 0 328.500 3.064 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000387412769 1297595978 /nfs/dbraw/zinc/59/59/78/1297595978.db2.gz NARRJTYWNYLBIP-INIZCTEOSA-N 2 0 330.394 3.201 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715193152 1298278794 /nfs/dbraw/zinc/27/87/94/1298278794.db2.gz HFLSZLORKVKSOI-VQHPVUNQSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715394518 1298280109 /nfs/dbraw/zinc/28/01/09/1298280109.db2.gz OEWCVLYAHPVEEZ-SEVLPDGMSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000719416366 1298315819 /nfs/dbraw/zinc/31/58/19/1298315819.db2.gz ZBIPEDQRCGIQQN-USXIJHARSA-N 2 0 344.421 3.298 20 0 EGADRP CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000876948767 1299082688 /nfs/dbraw/zinc/08/26/88/1299082688.db2.gz OUXAJGFRBWRPPJ-UHFFFAOYSA-N 2 0 341.540 3.390 20 0 EGADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000749258619 1299180736 /nfs/dbraw/zinc/18/07/36/1299180736.db2.gz RLYYLHYZMPEEFV-AFMYVXGZSA-N 2 0 347.547 3.307 20 0 EGADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)c1ccccc1 ZINC000877451044 1299309228 /nfs/dbraw/zinc/30/92/28/1299309228.db2.gz IVGTZNSSJWFGOU-LDQXTDLNSA-N 2 0 343.515 3.007 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC1 ZINC000749955603 1299312218 /nfs/dbraw/zinc/31/22/18/1299312218.db2.gz SMTLQJSVPMLFEH-MOPGFXCFSA-N 2 0 335.536 3.179 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000751069973 1299506080 /nfs/dbraw/zinc/50/60/80/1299506080.db2.gz LQJYEDWORDTUNE-UWVFGXKGSA-N 2 0 335.536 3.161 20 0 EGADRP O=C1[C@@H]2CCCCC[C@H]2N1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752802373 1299796905 /nfs/dbraw/zinc/79/69/05/1299796905.db2.gz IKVNJSGEDDZFJK-WOJBJXKFSA-N 2 0 347.547 3.323 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCSC(C)(C)C)CC2)CC1 ZINC000878721556 1300162217 /nfs/dbraw/zinc/16/22/17/1300162217.db2.gz HMVAXLVIFCZACG-UHFFFAOYSA-N 2 0 341.609 3.400 20 0 EGADRP CC(C)=C(C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000755206771 1300298666 /nfs/dbraw/zinc/29/86/66/1300298666.db2.gz MTBIMSGDQNMNMA-MOPGFXCFSA-N 2 0 335.536 3.138 20 0 EGADRP C[NH+](CCCCCC[N@@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000879142507 1300397590 /nfs/dbraw/zinc/39/75/90/1300397590.db2.gz USMMUUFSGZNBKN-UAFMIMERSA-N 2 0 340.552 3.017 20 0 EGADRP Cc1ccc(C)c(NC(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC000879247494 1300451162 /nfs/dbraw/zinc/45/11/62/1300451162.db2.gz BWHDXUCAAYHMBN-UHFFFAOYSA-N 2 0 329.488 3.050 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccn(-c3cccc(F)c3)n1)CC2 ZINC000879248009 1300452791 /nfs/dbraw/zinc/45/27/91/1300452791.db2.gz LAQBBGJNWMZHMQ-UHFFFAOYSA-N 2 0 342.462 3.319 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000879250952 1300454451 /nfs/dbraw/zinc/45/44/51/1300454451.db2.gz NHPOVAJJYBCBCQ-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC000762652191 1301722746 /nfs/dbraw/zinc/72/27/46/1301722746.db2.gz WQRXZSXTYLIYFQ-QZTJIDSGSA-N 2 0 334.504 3.464 20 0 EGADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000767500397 1302694945 /nfs/dbraw/zinc/69/49/45/1302694945.db2.gz HVXOEFJFSGIHSH-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]([NH3+])CC3CC3)c2)CC1 ZINC000884324753 1302811965 /nfs/dbraw/zinc/81/19/65/1302811965.db2.gz YRRUCPFBEILOLS-IBGZPJMESA-N 2 0 329.488 3.027 20 0 EGADRP C(CCC[NH2+][C@H]1CCOC2(CCOCC2)C1)CCC[NH+]1CCCC1 ZINC000885969549 1303303746 /nfs/dbraw/zinc/30/37/46/1303303746.db2.gz VUQIKUGHDLYTLC-IBGZPJMESA-N 2 0 338.536 3.351 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000886060127 1303341639 /nfs/dbraw/zinc/34/16/39/1303341639.db2.gz VBFWNNSMNMYVTI-LWQICCLCSA-N 2 0 340.442 3.195 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000886506243 1303480515 /nfs/dbraw/zinc/48/05/15/1303480515.db2.gz IDGJUDHWAPYNCX-GTPINHCMSA-N 2 0 347.469 3.257 20 0 EGADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000887134139 1303686127 /nfs/dbraw/zinc/68/61/27/1303686127.db2.gz CSBXEVIRSHPNQB-CRAIPNDOSA-N 2 0 337.423 3.072 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2COC3(CCCC3)O2)CC1 ZINC000774474217 1303814033 /nfs/dbraw/zinc/81/40/33/1303814033.db2.gz FBMHUFOJWKYFCW-NEWSRXKRSA-N 2 0 336.520 3.305 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000775622865 1303997205 /nfs/dbraw/zinc/99/72/05/1303997205.db2.gz JQYPQQMEIIRLDT-KRWDZBQOSA-N 2 0 328.504 3.236 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000892333419 1305321265 /nfs/dbraw/zinc/32/12/65/1305321265.db2.gz CZKZKWBLVKMYFT-SYXAYUIZSA-N 2 0 343.515 3.333 20 0 EGADRP C[NH+](C)CC1CCN(c2ccc(NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000892381418 1305345523 /nfs/dbraw/zinc/34/55/23/1305345523.db2.gz UIYKSLWSGWCVSR-UHFFFAOYSA-N 2 0 344.547 3.218 20 0 EGADRP CCCSC[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000892398186 1305351598 /nfs/dbraw/zinc/35/15/98/1305351598.db2.gz XLOCRLIDJCDOSF-PKOBYXMFSA-N 2 0 335.561 3.096 20 0 EGADRP CCCSC[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000892398184 1305352294 /nfs/dbraw/zinc/35/22/94/1305352294.db2.gz XLOCRLIDJCDOSF-IEBWSBKVSA-N 2 0 335.561 3.096 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCCC[NH+]1CCCC1)[NH+](C)C ZINC000785635208 1305400434 /nfs/dbraw/zinc/40/04/34/1305400434.db2.gz MMSCHUZJZUQYQW-WIYYLYMNSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000892614757 1305471580 /nfs/dbraw/zinc/47/15/80/1305471580.db2.gz SZZOCKPLVJWUQU-SFHVURJKSA-N 2 0 347.503 3.143 20 0 EGADRP C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893413558 1305881461 /nfs/dbraw/zinc/88/14/61/1305881461.db2.gz WKALUMMRVMKMAG-VQIMIIECSA-N 2 0 338.499 3.298 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000788242355 1305904414 /nfs/dbraw/zinc/90/44/14/1305904414.db2.gz FEQOJZDZSMVJJR-IAGOWNOFSA-N 2 0 339.524 3.288 20 0 EGADRP CCCSC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000893487860 1305920603 /nfs/dbraw/zinc/92/06/03/1305920603.db2.gz QCOPRRDMKAVNCF-QFBILLFUSA-N 2 0 336.545 3.265 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)c2ccccc2)CC1 ZINC000788445762 1305942257 /nfs/dbraw/zinc/94/22/57/1305942257.db2.gz IRLHWVKJTBATDH-JTHBVZDNSA-N 2 0 349.522 3.295 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc[nH]c(=O)c1 ZINC000788828632 1306023440 /nfs/dbraw/zinc/02/34/40/1306023440.db2.gz VDQJKQPSBOXBQL-OAHLLOKOSA-N 2 0 341.455 3.111 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]CCCC[NH+](C)C ZINC000894208754 1306278322 /nfs/dbraw/zinc/27/83/22/1306278322.db2.gz LEXLUPJQSPDPPH-UHFFFAOYSA-N 2 0 331.460 3.084 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCC[NH+](C)C ZINC000791874915 1309082106 /nfs/dbraw/zinc/08/21/06/1309082106.db2.gz HLRGBXZQQHGZLO-QGZVFWFLSA-N 2 0 348.487 3.048 20 0 EGADRP C[NH+](C)CCCOC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000792119686 1309124309 /nfs/dbraw/zinc/12/43/09/1309124309.db2.gz KMGMNBHKGFWNGK-UHFFFAOYSA-N 2 0 340.467 3.427 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000895692520 1309468356 /nfs/dbraw/zinc/46/83/56/1309468356.db2.gz XTAMGNRCEGUISC-SJORKVTESA-N 2 0 326.843 3.241 20 0 EGADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000799726895 1310606246 /nfs/dbraw/zinc/60/62/46/1310606246.db2.gz SNJPFOJADPOYPA-LJQANCHMSA-N 2 0 345.531 3.078 20 0 EGADRP Cc1nc2ccccn2c1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000898276299 1310657815 /nfs/dbraw/zinc/65/78/15/1310657815.db2.gz MSVFCQGRRVNHIL-UHFFFAOYSA-N 2 0 348.494 3.439 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccc4c[nH+]cn4c3)c2)C1 ZINC000857288888 1328526334 /nfs/dbraw/zinc/52/63/34/1328526334.db2.gz ULANIDCGLXTHNB-IBGZPJMESA-N 2 0 348.450 3.074 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019068654 1317031438 /nfs/dbraw/zinc/03/14/38/1317031438.db2.gz FJEBYESJVOLALA-KRWDZBQOSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)CC1 ZINC000957031837 1317139589 /nfs/dbraw/zinc/13/95/89/1317139589.db2.gz BVEYDUNFSIIIGM-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001019290135 1317147017 /nfs/dbraw/zinc/14/70/17/1317147017.db2.gz SAEQLPZIZSOKKQ-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000957076791 1317174265 /nfs/dbraw/zinc/17/42/65/1317174265.db2.gz GAHVNFQSYVOUNQ-UHFFFAOYSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)CC1 ZINC000899875726 1317192037 /nfs/dbraw/zinc/19/20/37/1317192037.db2.gz IBWYPEDFVJDASL-UHFFFAOYSA-N 2 0 325.334 3.275 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)c1 ZINC000900000568 1317216301 /nfs/dbraw/zinc/21/63/01/1317216301.db2.gz OMRFWPRDEHMFGS-RCCFBDPRSA-N 2 0 338.455 3.330 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001019465365 1317261119 /nfs/dbraw/zinc/26/11/19/1317261119.db2.gz BILQREXOSZYHJW-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001019466060 1317262085 /nfs/dbraw/zinc/26/20/85/1317262085.db2.gz PJRTWHZZXSDWHC-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900413750 1317285134 /nfs/dbraw/zinc/28/51/34/1317285134.db2.gz ZSHKDRRGEUIBOE-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000957325656 1317287097 /nfs/dbraw/zinc/28/70/97/1317287097.db2.gz SAPSEIUHQHBZHD-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1C[NH+](CCC(C)(C)C)C1 ZINC000957422046 1317348060 /nfs/dbraw/zinc/34/80/60/1317348060.db2.gz GBFVBPHYMDIRHE-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000901188635 1317390667 /nfs/dbraw/zinc/39/06/67/1317390667.db2.gz VMQXBTWKIIPZOA-NTFDOXNWSA-N 2 0 347.547 3.163 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019812357 1317437615 /nfs/dbraw/zinc/43/76/15/1317437615.db2.gz KZJAMBVWMYXZMR-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001019823188 1317439682 /nfs/dbraw/zinc/43/96/82/1317439682.db2.gz BMCZFWIKGSTMDF-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001019822763 1317440420 /nfs/dbraw/zinc/44/04/20/1317440420.db2.gz AMMCISRRIFSMJN-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000806172357 1317468453 /nfs/dbraw/zinc/46/84/53/1317468453.db2.gz KGTSENHAUNYIHV-KRWDZBQOSA-N 2 0 342.405 3.203 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621118 1317501758 /nfs/dbraw/zinc/50/17/58/1317501758.db2.gz YZWNDCDDJPNSDO-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020144187 1317558899 /nfs/dbraw/zinc/55/88/99/1317558899.db2.gz TYVLJORJSXKZGK-JPLJXNOCSA-N 2 0 343.515 3.166 20 0 EGADRP CN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000902373011 1317569097 /nfs/dbraw/zinc/56/90/97/1317569097.db2.gz VKFSPVPZLNFMHM-OKZBNKHCSA-N 2 0 335.923 3.453 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](CC)CC3CCC3)CC2)CC[N@@H+]1C ZINC000957715785 1317585190 /nfs/dbraw/zinc/58/51/90/1317585190.db2.gz JUMJKOFYNDKIGG-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020214045 1317596432 /nfs/dbraw/zinc/59/64/32/1317596432.db2.gz FTMNFUIMUMXHLJ-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001020239097 1317604208 /nfs/dbraw/zinc/60/42/08/1317604208.db2.gz NTUPHMXPZVMFHM-KZNAEPCWSA-N 2 0 349.544 3.056 20 0 EGADRP CCO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000902793474 1317616953 /nfs/dbraw/zinc/61/69/53/1317616953.db2.gz IPYOSBMORWOZGY-UYAOXDASSA-N 2 0 334.504 3.107 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000957759926 1317626044 /nfs/dbraw/zinc/62/60/44/1317626044.db2.gz IFOPFKZIXNUORO-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001020289327 1317628417 /nfs/dbraw/zinc/62/84/17/1317628417.db2.gz XYVYBNYESACPTB-WTGUMLROSA-N 2 0 347.547 3.211 20 0 EGADRP c1ccc(CN2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903065947 1317647029 /nfs/dbraw/zinc/64/70/29/1317647029.db2.gz JEEDDCSCZCJRFJ-SWSHNKPGSA-N 2 0 339.527 3.398 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c3ccccc31)C2 ZINC000903118170 1317656988 /nfs/dbraw/zinc/65/69/88/1317656988.db2.gz WDYSOXIOCKIBOY-FTADXUQISA-N 2 0 328.500 3.304 20 0 EGADRP OC[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H]1c1ccc(F)cc1 ZINC000903159712 1317665574 /nfs/dbraw/zinc/66/55/74/1317665574.db2.gz HNEJZLZHDOSDKJ-OOHWTWPMSA-N 2 0 344.474 3.039 20 0 EGADRP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C2CC2)cn1 ZINC000903208900 1317675345 /nfs/dbraw/zinc/67/53/45/1317675345.db2.gz BQVDUPJHIFILMF-IVZBYUQCSA-N 2 0 327.472 3.289 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2nonc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000903322692 1317686874 /nfs/dbraw/zinc/68/68/74/1317686874.db2.gz AMXUEEPFKIKJFW-AWEZNQCLSA-N 2 0 340.427 3.014 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903326912 1317688184 /nfs/dbraw/zinc/68/81/84/1317688184.db2.gz VYBCYPHEDMDPNI-CQSZACIVSA-N 2 0 340.427 3.014 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)cc1C[NH+]1CCCCC1 ZINC000903394387 1317695570 /nfs/dbraw/zinc/69/55/70/1317695570.db2.gz BFXMPCVATOVOPK-TXPKVOOTSA-N 2 0 332.488 3.367 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001020462712 1317707089 /nfs/dbraw/zinc/70/70/89/1317707089.db2.gz IVPZPJDEIHVTOO-RDGPPVDQSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723247 1317724782 /nfs/dbraw/zinc/72/47/82/1317724782.db2.gz GLIXYKXVJUIUKL-HNNXBMFYSA-N 2 0 342.405 3.296 20 0 EGADRP c1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903727632 1317726026 /nfs/dbraw/zinc/72/60/26/1317726026.db2.gz WIRFHOCMAWMYSO-UXHICEINSA-N 2 0 328.500 3.242 20 0 EGADRP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734496 1317727144 /nfs/dbraw/zinc/72/71/44/1317727144.db2.gz RPCYIOHVDGJXJB-CRAIPNDOSA-N 2 0 336.907 3.362 20 0 EGADRP Fc1ccc([C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CCC2)cc1 ZINC000903733110 1317726874 /nfs/dbraw/zinc/72/68/74/1317726874.db2.gz JVWJQFWIHOELTP-MOPGFXCFSA-N 2 0 332.463 3.415 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)O1 ZINC000903750318 1317729317 /nfs/dbraw/zinc/72/93/17/1317729317.db2.gz XGDBBMMNXVUEBP-JJXSEGSLSA-N 2 0 334.426 3.198 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)O1 ZINC000903769198 1317730769 /nfs/dbraw/zinc/73/07/69/1317730769.db2.gz ZMNJLAPXTGXFRK-XHSDSOJGSA-N 2 0 334.426 3.198 20 0 EGADRP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903758783 1317731041 /nfs/dbraw/zinc/73/10/41/1317731041.db2.gz MKJVFKJHNZVQEH-JYJNAYRXSA-N 2 0 346.368 3.177 20 0 EGADRP CCc1cccc(C)c1NC(=O)CN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812906 1317736580 /nfs/dbraw/zinc/73/65/80/1317736580.db2.gz AMBUZYMIXAGZFP-SFHVURJKSA-N 2 0 343.515 3.479 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000903794106 1317736666 /nfs/dbraw/zinc/73/66/66/1317736666.db2.gz NTEKQFDLQXQGBX-UHFFFAOYSA-N 2 0 337.423 3.427 20 0 EGADRP Cc1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000903959169 1317756143 /nfs/dbraw/zinc/75/61/43/1317756143.db2.gz CHGXPGZTPGBOFI-OAQYLSRUSA-N 2 0 338.499 3.361 20 0 EGADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000903975114 1317759630 /nfs/dbraw/zinc/75/96/30/1317759630.db2.gz XLWCFUAUZZJKSR-GDBMZVCRSA-N 2 0 338.455 3.169 20 0 EGADRP c1csc(C[C@@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000903987378 1317762925 /nfs/dbraw/zinc/76/29/25/1317762925.db2.gz DWVSLRCEGUBEKF-ZDUSSCGKSA-N 2 0 333.526 3.305 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001020591732 1317791920 /nfs/dbraw/zinc/79/19/20/1317791920.db2.gz UJKRHUQWPSRJJR-GUDVDZBRSA-N 2 0 343.515 3.106 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@]1(C)CCC[NH2+]C1 ZINC000904312138 1317828599 /nfs/dbraw/zinc/82/85/99/1317828599.db2.gz MGJZJNCRRPWHSY-HXUWFJFHSA-N 2 0 344.478 3.470 20 0 EGADRP C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000809566072 1317832795 /nfs/dbraw/zinc/83/27/95/1317832795.db2.gz FVKOATDXJRHLIJ-UHFFFAOYSA-N 2 0 341.540 3.296 20 0 EGADRP COc1ccc(OC)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC000904458047 1317850938 /nfs/dbraw/zinc/85/09/38/1317850938.db2.gz AGRQIXHNNIFYBR-UHFFFAOYSA-N 2 0 340.467 3.196 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001020675969 1317852346 /nfs/dbraw/zinc/85/23/46/1317852346.db2.gz MSTURLSVGCOOGA-ZULIPRJHSA-N 2 0 343.515 3.249 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cnc1Cl ZINC000904476629 1317853028 /nfs/dbraw/zinc/85/30/28/1317853028.db2.gz VBPUJMLKRLBXRY-LPHOPBHVSA-N 2 0 343.858 3.389 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001020719698 1317885601 /nfs/dbraw/zinc/88/56/01/1317885601.db2.gz PEWJCOVMZPRDHW-UAFMIMERSA-N 2 0 345.531 3.131 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905044995 1317916770 /nfs/dbraw/zinc/91/67/70/1317916770.db2.gz HEPFWNRBYCDOQL-KBXCAEBGSA-N 2 0 326.431 3.024 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020908665 1317993359 /nfs/dbraw/zinc/99/33/59/1317993359.db2.gz HPGKLEYUVWKHOA-FHWLQOOXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021254565 1318159932 /nfs/dbraw/zinc/15/99/32/1318159932.db2.gz PTSQCIOAPYFNHK-NXEWRWPSSA-N 2 0 347.547 3.161 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000811486364 1318183563 /nfs/dbraw/zinc/18/35/63/1318183563.db2.gz HYPMLJZHOQTOHP-KRWDZBQOSA-N 2 0 341.540 3.390 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2C2CC2)CC1 ZINC000811763889 1318257410 /nfs/dbraw/zinc/25/74/10/1318257410.db2.gz KZJAODFCKDYNON-LJQANCHMSA-N 2 0 349.563 3.425 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000959924139 1318268283 /nfs/dbraw/zinc/26/82/83/1318268283.db2.gz IYWCIZYLNYRMBW-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000960021262 1318316171 /nfs/dbraw/zinc/31/61/71/1318316171.db2.gz AMLMJLFUDOTYRM-QLOJAFMTSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC000960215489 1318415331 /nfs/dbraw/zinc/41/53/31/1318415331.db2.gz IKRRUGJPYKDMGR-OALUTQOASA-N 2 0 343.515 3.123 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21)C1CCC1 ZINC001021604079 1318449783 /nfs/dbraw/zinc/44/97/83/1318449783.db2.gz AWUMLHCDIRNACI-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000909599543 1318498003 /nfs/dbraw/zinc/49/80/03/1318498003.db2.gz CAVLEMFCVWAIKX-UHFFFAOYSA-N 2 0 339.483 3.413 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001021906214 1318727447 /nfs/dbraw/zinc/72/74/47/1318727447.db2.gz JIPDDNVXYCAXOF-MHORFTMASA-N 2 0 349.906 3.122 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000960741968 1318845089 /nfs/dbraw/zinc/84/50/89/1318845089.db2.gz VYCRXAZCQLMLLY-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001022435013 1318940306 /nfs/dbraw/zinc/94/03/06/1318940306.db2.gz PQPHLOMYNPYHPM-KDURUIRLSA-N 2 0 348.450 3.002 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022613014 1319016093 /nfs/dbraw/zinc/01/60/93/1319016093.db2.gz MXGORJQZQJDGEG-HDICACEKSA-N 2 0 347.503 3.162 20 0 EGADRP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000815599144 1319024142 /nfs/dbraw/zinc/02/41/42/1319024142.db2.gz LYIUZGGNCGDIQJ-HNNXBMFYSA-N 2 0 331.435 3.320 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000815635404 1319033147 /nfs/dbraw/zinc/03/31/47/1319033147.db2.gz BUUUNWBJNKOMLN-HOTGVXAUSA-N 2 0 345.487 3.414 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022711988 1319079255 /nfs/dbraw/zinc/07/92/55/1319079255.db2.gz HYPDYHUGZYTEGX-QRQLOZEOSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022807252 1319119094 /nfs/dbraw/zinc/11/90/94/1319119094.db2.gz GGTMVVKUVBHWHB-OTWHNJEPSA-N 2 0 347.547 3.066 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031588 1319155929 /nfs/dbraw/zinc/15/59/29/1319155929.db2.gz ZQKPPQASLTYAID-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000961034583 1319158994 /nfs/dbraw/zinc/15/89/94/1319158994.db2.gz NWXLCIRQWAEDKJ-AZUAARDMSA-N 2 0 343.515 3.075 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022958261 1319186937 /nfs/dbraw/zinc/18/69/37/1319186937.db2.gz HPGKLEYUVWKHOA-OTWHNJEPSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001023124192 1319273115 /nfs/dbraw/zinc/27/31/15/1319273115.db2.gz BTEQBEFHOZNBRA-PBWTXFEYSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@H+](CCc1ccccc1F)Cc1ccc(CN2CCOCC2)cc1 ZINC000817274095 1319308243 /nfs/dbraw/zinc/30/82/43/1319308243.db2.gz BHWKBHMZWVPYDZ-UHFFFAOYSA-N 2 0 342.458 3.332 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224785 1319351112 /nfs/dbraw/zinc/35/11/12/1319351112.db2.gz FCFUIQHORBQAKN-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288487 1319447642 /nfs/dbraw/zinc/44/76/42/1319447642.db2.gz WZOYARNXMHTKKZ-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc(=O)oc2c1C ZINC000817880548 1319450976 /nfs/dbraw/zinc/45/09/76/1319450976.db2.gz YKYUQMHCANSVHE-ZQIUZPCESA-N 2 0 328.456 3.215 20 0 EGADRP Cc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc(=O)oc2c1C ZINC000817880545 1319450995 /nfs/dbraw/zinc/45/09/95/1319450995.db2.gz YKYUQMHCANSVHE-CPUCHLNUSA-N 2 0 328.456 3.215 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817901633 1319455687 /nfs/dbraw/zinc/45/56/87/1319455687.db2.gz DCELEOKCRLQPFT-TYPHKJRUSA-N 2 0 340.467 3.016 20 0 EGADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000817923563 1319461174 /nfs/dbraw/zinc/46/11/74/1319461174.db2.gz ZCSFPKQUMDLGTC-MKFRZFLASA-N 2 0 342.483 3.036 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000817922477 1319461304 /nfs/dbraw/zinc/46/13/04/1319461304.db2.gz HEBVYMWFQIATMJ-JVPBZIDWSA-N 2 0 332.875 3.096 20 0 EGADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817931319 1319465048 /nfs/dbraw/zinc/46/50/48/1319465048.db2.gz LDYNQODBRNQORZ-UQPPLGOBSA-N 2 0 331.460 3.201 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC ZINC000817945777 1319471447 /nfs/dbraw/zinc/47/14/47/1319471447.db2.gz LQQFNLWHKBQFIE-IRXDYDNUSA-N 2 0 333.520 3.187 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)OCCO2 ZINC000817949946 1319474695 /nfs/dbraw/zinc/47/46/95/1319474695.db2.gz USKGKWFIZQUAFI-SFHVURJKSA-N 2 0 326.440 3.200 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c(C)c1OC ZINC000817950193 1319475491 /nfs/dbraw/zinc/47/54/91/1319475491.db2.gz XNOFWGGSVBWXPX-OAHLLOKOSA-N 2 0 342.483 3.234 20 0 EGADRP COc1ccc([C@@H](C)N[C@H](C[NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960665 1319478630 /nfs/dbraw/zinc/47/86/30/1319478630.db2.gz OZRUYOYRGLEMAM-DNVCBOLYSA-N 2 0 331.504 3.069 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817966779 1319479368 /nfs/dbraw/zinc/47/93/68/1319479368.db2.gz VJLYFOFSSFBKFQ-DNVCBOLYSA-N 2 0 331.460 3.074 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817969688 1319480846 /nfs/dbraw/zinc/48/08/46/1319480846.db2.gz HCFAOSAFTNBOLM-LVQVYYBASA-N 2 0 325.497 3.024 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817976448 1319484458 /nfs/dbraw/zinc/48/44/58/1319484458.db2.gz YPSJEGCCRKITQP-BRWVUGGUSA-N 2 0 329.488 3.229 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001023377055 1319485599 /nfs/dbraw/zinc/48/55/99/1319485599.db2.gz DKCWVLSYYHAXRI-YZGWKJHDSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001023380500 1319487613 /nfs/dbraw/zinc/48/76/13/1319487613.db2.gz ADOYVHHQZMHQMK-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961378546 1319534746 /nfs/dbraw/zinc/53/47/46/1319534746.db2.gz OGEOBOQICZPEPZ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC3CCC3)C2)CC1)[NH+](C)C ZINC000961377407 1319534783 /nfs/dbraw/zinc/53/47/83/1319534783.db2.gz HPQRYBGOPDNNMZ-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023451782 1319555093 /nfs/dbraw/zinc/55/50/93/1319555093.db2.gz MGPWZZBXHGILPJ-KRWDZBQOSA-N 2 0 340.471 3.051 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])ccc1OC ZINC000818616026 1319570963 /nfs/dbraw/zinc/57/09/63/1319570963.db2.gz SQRVTUCBALSVEQ-ATZDWAIDSA-N 2 0 333.520 3.458 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1F ZINC000818953221 1319587292 /nfs/dbraw/zinc/58/72/92/1319587292.db2.gz IZLHSVAJDJOUOU-HXUWFJFHSA-N 2 0 346.421 3.384 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(F)c1 ZINC000818954461 1319587455 /nfs/dbraw/zinc/58/74/55/1319587455.db2.gz VVTFKYPBQSCVFH-FQEVSTJZSA-N 2 0 328.431 3.245 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961436191 1319590810 /nfs/dbraw/zinc/59/08/10/1319590810.db2.gz SHKGKOGHOLLAME-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000818968629 1319595050 /nfs/dbraw/zinc/59/50/50/1319595050.db2.gz DAMJRDOGDACTAK-RHSMWYFYSA-N 2 0 344.421 3.450 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)c1 ZINC000818969539 1319596799 /nfs/dbraw/zinc/59/67/99/1319596799.db2.gz GEVKDRDFXSYZCG-LJQANCHMSA-N 2 0 334.410 3.240 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000818984890 1319605348 /nfs/dbraw/zinc/60/53/48/1319605348.db2.gz MJYJSSGKFURXDO-WMLDXEAASA-N 2 0 344.421 3.449 20 0 EGADRP Cc1cccc(OC[C@@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000819142945 1319647318 /nfs/dbraw/zinc/64/73/18/1319647318.db2.gz UHUOVANRRJJMCU-MHJFOBGBSA-N 2 0 346.515 3.121 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001023554228 1319664970 /nfs/dbraw/zinc/66/49/70/1319664970.db2.gz IIDXXGLJIXTBFT-IHPCNDPISA-N 2 0 349.563 3.125 20 0 EGADRP Cc1c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)sc2nc(C)nc(C)c12 ZINC000916837741 1319712977 /nfs/dbraw/zinc/71/29/77/1319712977.db2.gz XRMLVYVUIQTIHF-LBPRGKRZSA-N 2 0 332.517 3.438 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000917394887 1319799725 /nfs/dbraw/zinc/79/97/25/1319799725.db2.gz VDGVUIQDSRHOEJ-UHFFFAOYSA-N 2 0 337.511 3.469 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001023696349 1319820012 /nfs/dbraw/zinc/82/00/12/1319820012.db2.gz LCUXLMPNOVSVJF-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001023696352 1319821834 /nfs/dbraw/zinc/82/18/34/1319821834.db2.gz LCUXLMPNOVSVJF-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001023749961 1319893973 /nfs/dbraw/zinc/89/39/73/1319893973.db2.gz DLRQTPDUDIFVCO-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809420 1319957276 /nfs/dbraw/zinc/95/72/76/1319957276.db2.gz AFUMDUOAJRHGKY-QAPCUYQASA-N 2 0 347.503 3.408 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822870658 1320131150 /nfs/dbraw/zinc/13/11/50/1320131150.db2.gz VJPQBTIROUDARS-ILXRZTDVSA-N 2 0 337.335 3.297 20 0 EGADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000838964135 1320843502 /nfs/dbraw/zinc/84/35/02/1320843502.db2.gz OQFFYOODHKCANN-GOSISDBHSA-N 2 0 331.847 3.027 20 0 EGADRP CCOc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1OC(=O)CC ZINC000840938028 1321180701 /nfs/dbraw/zinc/18/07/01/1321180701.db2.gz WQYGUYVQLXGRQS-UHFFFAOYSA-N 2 0 348.487 3.222 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1OC(=O)CC ZINC000840953747 1321185351 /nfs/dbraw/zinc/18/53/51/1321185351.db2.gz YIZZAHOIWFHYFG-INIZCTEOSA-N 2 0 348.487 3.222 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032691 1321204374 /nfs/dbraw/zinc/20/43/74/1321204374.db2.gz FHLPWHRDLMALRG-LJQANCHMSA-N 2 0 342.483 3.316 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)oc21 ZINC000841099389 1321218013 /nfs/dbraw/zinc/21/80/13/1321218013.db2.gz JUXYHMDDPOIRFX-IEBWSBKVSA-N 2 0 344.455 3.160 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000843053569 1321463255 /nfs/dbraw/zinc/46/32/55/1321463255.db2.gz CHKYJDRLKUWJRS-GOOCMWNKSA-N 2 0 328.378 3.472 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000843340848 1321502040 /nfs/dbraw/zinc/50/20/40/1321502040.db2.gz FYQDEAZAZYFMDI-QGZVFWFLSA-N 2 0 333.476 3.149 20 0 EGADRP CCc1cc2oc(=O)cc(CN3C[C@@H](C[NH3+])C[C@H]3C)c2cc1Cl ZINC000843362331 1321507399 /nfs/dbraw/zinc/50/73/99/1321507399.db2.gz DRJOIYYJNGVUNI-VXGBXAGGSA-N 2 0 334.847 3.178 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccnc3C(F)(F)F)C2)CC1 ZINC000859290671 1328962408 /nfs/dbraw/zinc/96/24/08/1328962408.db2.gz AWUTZEILIVUXFK-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000844911190 1321656930 /nfs/dbraw/zinc/65/69/30/1321656930.db2.gz LVNKPPPEKVNCDF-UHFFFAOYSA-N 2 0 332.879 3.395 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845934489 1321755172 /nfs/dbraw/zinc/75/51/72/1321755172.db2.gz BGQAKHNPCRWPQA-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000846592447 1321794921 /nfs/dbraw/zinc/79/49/21/1321794921.db2.gz RIHULCIGQZVXAL-NRFANRHFSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2nonc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846848960 1321816220 /nfs/dbraw/zinc/81/62/20/1321816220.db2.gz QHWFVKWOZJDJDY-YJBOKZPZSA-N 2 0 336.439 3.223 20 0 EGADRP CC(C)CCNC(=[NH2+])NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000848989807 1322056927 /nfs/dbraw/zinc/05/69/27/1322056927.db2.gz BZMJYPOCIXRCDN-HKUYNNGSSA-N 2 0 330.520 3.447 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC2([NH+](C)C)CCCC2)c1 ZINC000849056336 1322060518 /nfs/dbraw/zinc/06/05/18/1322060518.db2.gz FBHNOIJDHQKIIN-UHFFFAOYSA-N 2 0 348.491 3.295 20 0 EGADRP CCC(CC)[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCC1 ZINC000849057545 1322061576 /nfs/dbraw/zinc/06/15/76/1322061576.db2.gz FDIQRFBECUTCKG-LJQANCHMSA-N 2 0 330.520 3.244 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)Cc1ccccc1 ZINC000849063543 1322063332 /nfs/dbraw/zinc/06/33/32/1322063332.db2.gz JAVZXDOEPRWUOM-HKUYNNGSSA-N 2 0 330.520 3.196 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CCC1 ZINC000849072423 1322066026 /nfs/dbraw/zinc/06/60/26/1322066026.db2.gz FTOAKZZKBJFUGJ-QGZVFWFLSA-N 2 0 348.922 3.360 20 0 EGADRP C[C@H](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000849079694 1322070083 /nfs/dbraw/zinc/07/00/83/1322070083.db2.gz HEPGLNCLQCXCRI-OAHLLOKOSA-N 2 0 346.475 3.049 20 0 EGADRP CC[NH+](CC)CCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083502 1322070835 /nfs/dbraw/zinc/07/08/35/1322070835.db2.gz VSUSTIKBQDKTAU-UHFFFAOYSA-N 2 0 332.370 3.253 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850482697 1322256003 /nfs/dbraw/zinc/25/60/03/1322256003.db2.gz KZSBQOWBLNLDPR-INIZCTEOSA-N 2 0 334.479 3.237 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@H](C)C1 ZINC000850522839 1322260970 /nfs/dbraw/zinc/26/09/70/1322260970.db2.gz NPKYRNHXBJAFBA-HZPDHXFCSA-N 2 0 339.524 3.144 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850558227 1322267008 /nfs/dbraw/zinc/26/70/08/1322267008.db2.gz QUUCRGYNPRBAPC-INIZCTEOSA-N 2 0 331.287 3.491 20 0 EGADRP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)C1 ZINC000921496533 1322329511 /nfs/dbraw/zinc/32/95/11/1322329511.db2.gz WDYXRYCNNZJWKP-MOPGFXCFSA-N 2 0 334.529 3.283 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000921819908 1322404572 /nfs/dbraw/zinc/40/45/72/1322404572.db2.gz JCTGNFZMTCUXHQ-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922389825 1322516036 /nfs/dbraw/zinc/51/60/36/1322516036.db2.gz XHWZRTKTLVSFKX-MKXGPGLRSA-N 2 0 336.907 3.218 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922391759 1322516930 /nfs/dbraw/zinc/51/69/30/1322516930.db2.gz ZKZVJUGMBYPHDO-MKXGPGLRSA-N 2 0 336.545 3.270 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923364057 1322740731 /nfs/dbraw/zinc/74/07/31/1322740731.db2.gz GMHIAMVMPCUGOV-FGZHOGPDSA-N 2 0 338.495 3.207 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1C[NH3+] ZINC000923493510 1322762005 /nfs/dbraw/zinc/76/20/05/1322762005.db2.gz HOYQKSXKBNWPKL-AEFFLSMTSA-N 2 0 325.456 3.077 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504352 1322764551 /nfs/dbraw/zinc/76/45/51/1322764551.db2.gz QSDZVJXQSVWDPB-VKJFTORMSA-N 2 0 325.456 3.084 20 0 EGADRP Cc1cccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1C ZINC000923506512 1322765380 /nfs/dbraw/zinc/76/53/80/1322765380.db2.gz FVCKCLZSVHQJSR-GOSISDBHSA-N 2 0 343.515 3.344 20 0 EGADRP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923525989 1322769562 /nfs/dbraw/zinc/76/95/62/1322769562.db2.gz MKOGSIIRFQHMDM-BBRMVZONSA-N 2 0 340.920 3.320 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cnnn1-c1ccccc1 ZINC000924524376 1323043420 /nfs/dbraw/zinc/04/34/20/1323043420.db2.gz AJAHFRVSROHSAD-DLBZAZTESA-N 2 0 329.492 3.428 20 0 EGADRP COc1cccc([C@H](CNC2CC[NH+](CCC(C)C)CC2)[NH+](C)C)c1 ZINC000924533506 1323045443 /nfs/dbraw/zinc/04/54/43/1323045443.db2.gz RBMXXPNHRQMBLK-NRFANRHFSA-N 2 0 347.547 3.398 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000924627854 1323082381 /nfs/dbraw/zinc/08/23/81/1323082381.db2.gz DZQHBNVNGFPBJS-UHFFFAOYSA-N 2 0 345.531 3.293 20 0 EGADRP O=C(N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001024051851 1323098606 /nfs/dbraw/zinc/09/86/06/1323098606.db2.gz IZCHTIHWFTYFFD-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851919932 1323114580 /nfs/dbraw/zinc/11/45/80/1323114580.db2.gz RTBSILOQCZPLFL-GOSISDBHSA-N 2 0 326.525 3.362 20 0 EGADRP COCCOc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924692361 1323115383 /nfs/dbraw/zinc/11/53/83/1323115383.db2.gz NPVUHJNGGUKNQW-MRXNPFEDSA-N 2 0 343.471 3.019 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000924780026 1323161233 /nfs/dbraw/zinc/16/12/33/1323161233.db2.gz GQQUEPMWDHVUOG-KRWDZBQOSA-N 2 0 341.503 3.422 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C2CCN(C(=O)CC(C)C)CC2)CC1 ZINC000924843771 1323183974 /nfs/dbraw/zinc/18/39/74/1323183974.db2.gz XRNFLADFVUFGFP-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001024189160 1323199557 /nfs/dbraw/zinc/19/95/57/1323199557.db2.gz VYNLUCMWUNKRHE-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924958705 1323228870 /nfs/dbraw/zinc/22/88/70/1323228870.db2.gz GJSNVVSDDAHGBY-DLBZAZTESA-N 2 0 327.476 3.038 20 0 EGADRP CSC1CC([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000924963205 1323230603 /nfs/dbraw/zinc/23/06/03/1323230603.db2.gz ISTXMKLKJGKHEF-JEYLPNPQSA-N 2 0 337.508 3.122 20 0 EGADRP FC(F)(F)c1cccc([C@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)c1 ZINC000852750021 1323237034 /nfs/dbraw/zinc/23/70/34/1323237034.db2.gz LLRPERUKVGLJLT-HOCLYGCPSA-N 2 0 340.389 3.016 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278232 1323256746 /nfs/dbraw/zinc/25/67/46/1323256746.db2.gz HQDJBHMFECRPEH-FQEVSTJZSA-N 2 0 347.547 3.191 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925071539 1323266805 /nfs/dbraw/zinc/26/68/05/1323266805.db2.gz PXFYRLZSAHJCAN-IPELMVKDSA-N 2 0 331.504 3.046 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)C1 ZINC000853061744 1323272034 /nfs/dbraw/zinc/27/20/34/1323272034.db2.gz FTMJSZVNJLIQOQ-UWJYYQICSA-N 2 0 339.483 3.137 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001024436502 1323395397 /nfs/dbraw/zinc/39/53/97/1323395397.db2.gz FFIWNOVQFXZHHW-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479999 1323433536 /nfs/dbraw/zinc/43/35/36/1323433536.db2.gz WHBNYSMUFJWQPS-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521075 1323469810 /nfs/dbraw/zinc/46/98/10/1323469810.db2.gz OKDPKEWNQDRGHG-RDJZCZTQSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524451 1323471738 /nfs/dbraw/zinc/47/17/38/1323471738.db2.gz VUYXORBYFZLWML-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750386 1323653500 /nfs/dbraw/zinc/65/35/00/1323653500.db2.gz QDMWYAJQUHZQTO-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024812702 1323716805 /nfs/dbraw/zinc/71/68/05/1323716805.db2.gz RJPIATGBRWLYDB-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CCCCN2C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001024963286 1323803166 /nfs/dbraw/zinc/80/31/66/1323803166.db2.gz KWBBOCSUBZIHFN-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC001024998677 1323818383 /nfs/dbraw/zinc/81/83/83/1323818383.db2.gz ILETZZDKCIZZHL-WOJBJXKFSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025008776 1323823970 /nfs/dbraw/zinc/82/39/70/1323823970.db2.gz BGSWRELWGUDADV-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025241576 1324036751 /nfs/dbraw/zinc/03/67/51/1324036751.db2.gz YRDJQYLHNFEPPL-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001025257513 1324064989 /nfs/dbraw/zinc/06/49/89/1324064989.db2.gz DXUHQNFMFQOTPN-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025258656 1324067622 /nfs/dbraw/zinc/06/76/22/1324067622.db2.gz LGBYJXOBQUYIGC-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431603 1324269429 /nfs/dbraw/zinc/26/94/29/1324269429.db2.gz BKXUOMHSVUWKOZ-GJZGRUSLSA-N 2 0 337.533 3.048 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453700 1324294543 /nfs/dbraw/zinc/29/45/43/1324294543.db2.gz SUKBDFUHXFAYQP-RTBURBONSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629660 1324481459 /nfs/dbraw/zinc/48/14/59/1324481459.db2.gz IOCSIYCLWJRCGL-ROUUACIJSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630795 1324482957 /nfs/dbraw/zinc/48/29/57/1324482957.db2.gz WMXBVJQXADHLEV-MSOLQXFVSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001026540770 1324877060 /nfs/dbraw/zinc/87/70/60/1324877060.db2.gz YVLJJEKPUCDZDR-UHFFFAOYSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@@H]([NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001026553770 1324888767 /nfs/dbraw/zinc/88/87/67/1324888767.db2.gz SHBZYNHGCBJDKF-PBPGXSGUSA-N 2 0 343.515 3.106 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC001026592468 1324918087 /nfs/dbraw/zinc/91/80/87/1324918087.db2.gz BTTXVZJTSFKNAH-XEVCZEQESA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001026606732 1324928108 /nfs/dbraw/zinc/92/81/08/1324928108.db2.gz REVXVFILWUERKK-LMDPOFIKSA-N 2 0 343.515 3.169 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001026916897 1325080582 /nfs/dbraw/zinc/08/05/82/1325080582.db2.gz QZPNEWFBJWSOFK-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925220309 1325084513 /nfs/dbraw/zinc/08/45/13/1325084513.db2.gz IIPTUIUTVWTUOU-UHFFFAOYSA-N 2 0 328.500 3.456 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925438335 1325149668 /nfs/dbraw/zinc/14/96/68/1325149668.db2.gz XIELEGGXODCMKW-KZNAEPCWSA-N 2 0 348.531 3.454 20 0 EGADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)[NH2+]2 ZINC000925513438 1325185529 /nfs/dbraw/zinc/18/55/29/1325185529.db2.gz JXWIPDSLASCLPM-GAZPGATBSA-N 2 0 347.934 3.423 20 0 EGADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925539009 1325197842 /nfs/dbraw/zinc/19/78/42/1325197842.db2.gz XSVFDKVKROAVFO-JRGCBEDISA-N 2 0 327.516 3.271 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925629065 1325237933 /nfs/dbraw/zinc/23/79/33/1325237933.db2.gz LFWVNXDRCAAEIU-HNNXBMFYSA-N 2 0 328.504 3.457 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1 ZINC000925676499 1325259863 /nfs/dbraw/zinc/25/98/63/1325259863.db2.gz NEQREGXVZIGWNC-SJLPKXTDSA-N 2 0 341.430 3.001 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925714936 1325267026 /nfs/dbraw/zinc/26/70/26/1325267026.db2.gz ZPGJCVCJOQNRPH-CRAIPNDOSA-N 2 0 333.907 3.431 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)[C@@]12CCCO2 ZINC000926166983 1325455695 /nfs/dbraw/zinc/45/56/95/1325455695.db2.gz XSWNUJXXPZNIDH-NMLACTOBSA-N 2 0 332.488 3.125 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333144 1325491988 /nfs/dbraw/zinc/49/19/88/1325491988.db2.gz VHTKOBBOGWQLDR-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333143 1325492222 /nfs/dbraw/zinc/49/22/22/1325492222.db2.gz VHTKOBBOGWQLDR-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926275496 1325500771 /nfs/dbraw/zinc/50/07/71/1325500771.db2.gz PCZRPJHHWQRMTG-BEFAXECRSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)C[NH2+]C1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000964436440 1325525379 /nfs/dbraw/zinc/52/53/79/1325525379.db2.gz GHYOPNWTHQRHQM-UHFFFAOYSA-N 2 0 345.531 3.377 20 0 EGADRP C[S@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000926358293 1325526198 /nfs/dbraw/zinc/52/61/98/1325526198.db2.gz PIUONIMYCSDEDY-HLFJNKLJSA-N 2 0 346.540 3.073 20 0 EGADRP C[NH+](C)C1(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CCCC1 ZINC000856960130 1325545846 /nfs/dbraw/zinc/54/58/46/1325545846.db2.gz LMNJZNQAPDSCKG-LJQANCHMSA-N 2 0 343.515 3.100 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857120954 1325575276 /nfs/dbraw/zinc/57/52/76/1325575276.db2.gz QIIRYTAIXWTQLZ-VQTJNVASSA-N 2 0 343.515 3.100 20 0 EGADRP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857141961 1325580148 /nfs/dbraw/zinc/58/01/48/1325580148.db2.gz OQHNQFDTMMLCJV-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926573910 1327621902 /nfs/dbraw/zinc/62/19/02/1327621902.db2.gz QLYZKJUBYACJIC-OXQOHEQNSA-N 2 0 342.483 3.184 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027432683 1327670708 /nfs/dbraw/zinc/67/07/08/1327670708.db2.gz HZTBIDYLPMRWNM-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449050 1327690773 /nfs/dbraw/zinc/69/07/73/1327690773.db2.gz PXOVKTGPBKQGOI-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447931 1327691355 /nfs/dbraw/zinc/69/13/55/1327691355.db2.gz BUODASWRYXMFHI-MSOLQXFVSA-N 2 0 349.544 3.045 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027470257 1327724503 /nfs/dbraw/zinc/72/45/03/1327724503.db2.gz OGBNUYLBUPKOJI-LJQANCHMSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605104 1327961925 /nfs/dbraw/zinc/96/19/25/1327961925.db2.gz VSFYMICROCWBGP-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCC3)C2)CC1 ZINC001027636718 1328003307 /nfs/dbraw/zinc/00/33/07/1328003307.db2.gz GDDDMZXAACEESF-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000966074535 1328170317 /nfs/dbraw/zinc/17/03/17/1328170317.db2.gz IJBZVOHWTALXGH-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cs1 ZINC001027879488 1328345401 /nfs/dbraw/zinc/34/54/01/1328345401.db2.gz SVHPVWZGGMUMLX-ROUUACIJSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027879135 1328345590 /nfs/dbraw/zinc/34/55/90/1328345590.db2.gz NOIWETQPLHGXRL-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCCC2)CC[N@@H+]1C ZINC001027892865 1328357661 /nfs/dbraw/zinc/35/76/61/1328357661.db2.gz FZUCAZSHPVBWED-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001027924067 1328403007 /nfs/dbraw/zinc/40/30/07/1328403007.db2.gz CUNLZBRPTFYMHS-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001027927782 1328406794 /nfs/dbraw/zinc/40/67/94/1328406794.db2.gz CVCJDRNFRCKDID-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929674 1328407714 /nfs/dbraw/zinc/40/77/14/1328407714.db2.gz HWNKJOLZZMAKTD-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000862481902 1329489822 /nfs/dbraw/zinc/48/98/22/1329489822.db2.gz APACTFOIBBWTRT-NRSPTQNISA-N 2 0 329.532 3.219 20 0 EGADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cnn([C@H]4CCCCO4)c3)c2)CC1 ZINC000863726947 1329578174 /nfs/dbraw/zinc/57/81/74/1329578174.db2.gz KUKWXCWENPBUEB-HXUWFJFHSA-N 2 0 340.471 3.172 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1cccc(OC(C)(C)C)c1)N1CC[NH+](C)CC1 ZINC000865411546 1329693416 /nfs/dbraw/zinc/69/34/16/1329693416.db2.gz XNLZQBSFLREMPV-FQEVSTJZSA-N 2 0 347.547 3.226 20 0 EGADRP Cc1c(Cl)cccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000865431105 1329696436 /nfs/dbraw/zinc/69/64/36/1329696436.db2.gz CLARRMZQPLGAAS-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP Cc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)ccc1-n1cncn1 ZINC000865717065 1329732209 /nfs/dbraw/zinc/73/22/09/1329732209.db2.gz MUSHJPFHJCSUFF-UHFFFAOYSA-N 2 0 341.503 3.176 20 0 EGADRP CCc1ncc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000865717567 1329732243 /nfs/dbraw/zinc/73/22/43/1329732243.db2.gz DXNCOHXRYQBJCL-UHFFFAOYSA-N 2 0 338.499 3.431 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000933455298 1329890506 /nfs/dbraw/zinc/89/05/06/1329890506.db2.gz DCAMTCZURZERPB-LZLYRXPVSA-N 2 0 349.544 3.120 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1)CC(C)C ZINC000935231461 1330037482 /nfs/dbraw/zinc/03/74/82/1330037482.db2.gz OBBYLSXTVMFXFO-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](CC)C(=O)N(C)c2ccc(C)cc2)CC1 ZINC000866660584 1330138680 /nfs/dbraw/zinc/13/86/80/1330138680.db2.gz HKKOLAFAKKEFMS-IBGZPJMESA-N 2 0 331.504 3.058 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2coc(-c3ccccc3OC)n2)CC1 ZINC000866661665 1330138894 /nfs/dbraw/zinc/13/88/94/1330138894.db2.gz RZYFKDQAFBVNNS-UHFFFAOYSA-N 2 0 329.444 3.172 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)CC1(C)C ZINC000940625176 1331130326 /nfs/dbraw/zinc/13/03/26/1331130326.db2.gz PJXUXMYJIPICEH-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC1(C)C ZINC000941187175 1331377370 /nfs/dbraw/zinc/37/73/70/1331377370.db2.gz WHFFBGFELOSADI-SFHVURJKSA-N 2 0 346.519 3.058 20 0 EGADRP C[C@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098884 1331829713 /nfs/dbraw/zinc/82/97/13/1331829713.db2.gz CHJHBMZQFMTKGM-YOEHRIQHSA-N 2 0 349.544 3.050 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558657 1331974271 /nfs/dbraw/zinc/97/42/71/1331974271.db2.gz ZMKGPKUAOXVCNR-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944919973 1332454395 /nfs/dbraw/zinc/45/43/95/1332454395.db2.gz RNHCFDUWRZAZPJ-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728237 1332885844 /nfs/dbraw/zinc/88/58/44/1332885844.db2.gz AEWLRDKINXWXHB-ZCNNSNEGSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CC1CCCC1 ZINC000947653594 1333210158 /nfs/dbraw/zinc/21/01/58/1333210158.db2.gz PSCKDXQWFCDCAF-YJBOKZPZSA-N 2 0 347.503 3.114 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723844 1333241098 /nfs/dbraw/zinc/24/10/98/1333241098.db2.gz YVSKAKPCVSRTPE-FXAWDEMLSA-N 2 0 345.531 3.029 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947799761 1333265572 /nfs/dbraw/zinc/26/55/72/1333265572.db2.gz CORHQFOKDBZRQH-LPHOPBHVSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948365706 1333496085 /nfs/dbraw/zinc/49/60/85/1333496085.db2.gz RWCHNLIOABWRIS-MOPGFXCFSA-N 2 0 335.536 3.138 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948416465 1333516787 /nfs/dbraw/zinc/51/67/87/1333516787.db2.gz GKPUOHCDONUUDX-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439169 1333525954 /nfs/dbraw/zinc/52/59/54/1333525954.db2.gz IWXGLFYEYOKDEZ-MJGOQNOKSA-N 2 0 335.536 3.115 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000948589387 1333586475 /nfs/dbraw/zinc/58/64/75/1333586475.db2.gz APRRTWBDCQEWAN-LERPRCHQSA-N 2 0 346.862 3.013 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948743565 1333655539 /nfs/dbraw/zinc/65/55/39/1333655539.db2.gz XVWKYHIOGRFYGK-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CCC2CCCC2)CC1 ZINC000948760108 1333664890 /nfs/dbraw/zinc/66/48/90/1333664890.db2.gz SUMGWURNYYIHLI-HXUWFJFHSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000948935043 1333739748 /nfs/dbraw/zinc/73/97/48/1333739748.db2.gz CBCBLXJKWVLUAE-HXUWFJFHSA-N 2 0 348.450 3.072 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000949801639 1333927042 /nfs/dbraw/zinc/92/70/42/1333927042.db2.gz VZUWSYVRFKXAEU-HXUWFJFHSA-N 2 0 347.547 3.143 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000949856191 1333945169 /nfs/dbraw/zinc/94/51/69/1333945169.db2.gz JIWZKELXMWACAL-IHPCNDPISA-N 2 0 343.515 3.012 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000950508347 1334083049 /nfs/dbraw/zinc/08/30/49/1334083049.db2.gz LEFGYOZNYRHGJN-FQEVSTJZSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206249 1335676686 /nfs/dbraw/zinc/67/66/86/1335676686.db2.gz NGVXQFHZXJDZSV-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000967398727 1335726270 /nfs/dbraw/zinc/72/62/70/1335726270.db2.gz ZYJRZWQFDZIFOG-MAUKXSAKSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647288 1335996469 /nfs/dbraw/zinc/99/64/69/1335996469.db2.gz JYGKEJIWKDRQBA-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968849632 1336067255 /nfs/dbraw/zinc/06/72/55/1336067255.db2.gz BYCZRNRIOUYDOL-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968850010 1336067453 /nfs/dbraw/zinc/06/74/53/1336067453.db2.gz MNCISZSVSNYXMC-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968928551 1336093322 /nfs/dbraw/zinc/09/33/22/1336093322.db2.gz NVVDWFLEDGRKLH-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC=C(C)C)C1 ZINC000968991134 1336112326 /nfs/dbraw/zinc/11/23/26/1336112326.db2.gz WAURNUSADDMREX-WOJBJXKFSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC000969013965 1336118812 /nfs/dbraw/zinc/11/88/12/1336118812.db2.gz LKBDYZFSDWLJMH-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000969059672 1336133003 /nfs/dbraw/zinc/13/30/03/1336133003.db2.gz QJQIGOPJWPKOIH-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2CC2)CC1 ZINC000969100901 1336143606 /nfs/dbraw/zinc/14/36/06/1336143606.db2.gz LLIVWSVJIYQFHY-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCCCCC2)C1 ZINC000969144245 1336160523 /nfs/dbraw/zinc/16/05/23/1336160523.db2.gz HQMHKDNRSZQMIS-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000969636403 1336231578 /nfs/dbraw/zinc/23/15/78/1336231578.db2.gz MECMASPQUKILEP-OLMNPRSZSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000969968828 1336267515 /nfs/dbraw/zinc/26/75/15/1336267515.db2.gz LACJMRSRICEOFK-QFBILLFUSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000970720116 1336335345 /nfs/dbraw/zinc/33/53/45/1336335345.db2.gz YCRRGMOFTGMLKQ-IEBWSBKVSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000970720115 1336335583 /nfs/dbraw/zinc/33/55/83/1336335583.db2.gz YCRRGMOFTGMLKQ-HKUYNNGSSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005478773 1336358473 /nfs/dbraw/zinc/35/84/73/1336358473.db2.gz YWRTYCZVHLPLJP-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005534375 1336368967 /nfs/dbraw/zinc/36/89/67/1336368967.db2.gz XWMQAMPQOLBOPI-QZTJIDSGSA-N 2 0 344.503 3.016 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001005580489 1336375141 /nfs/dbraw/zinc/37/51/41/1336375141.db2.gz HCGOZTFJQRRFON-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001005883822 1336415661 /nfs/dbraw/zinc/41/56/61/1336415661.db2.gz IIXUBXFOUBATNI-IRXDYDNUSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005935295 1336426084 /nfs/dbraw/zinc/42/60/84/1336426084.db2.gz QXQGRFHABDEJDI-QGZVFWFLSA-N 2 0 343.515 3.012 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001006292499 1336484832 /nfs/dbraw/zinc/48/48/32/1336484832.db2.gz QPBGVGKDIMNIHS-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006443482 1336506986 /nfs/dbraw/zinc/50/69/86/1336506986.db2.gz FETNFGCKDPNWCB-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007622368 1336679907 /nfs/dbraw/zinc/67/99/07/1336679907.db2.gz UYBRSADDBBLNMG-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001007799217 1336702983 /nfs/dbraw/zinc/70/29/83/1336702983.db2.gz HYSSYGJWGKJFOJ-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007949085 1336737473 /nfs/dbraw/zinc/73/74/73/1336737473.db2.gz JTTAXVIEVUNNQV-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001008274257 1336811594 /nfs/dbraw/zinc/81/15/94/1336811594.db2.gz FZOOGOQRWHYEFQ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008299053 1336817934 /nfs/dbraw/zinc/81/79/34/1336817934.db2.gz MDQVYZZVRACFBX-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008746773 1336919240 /nfs/dbraw/zinc/91/92/40/1336919240.db2.gz JOBAUXUHCXETMJ-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001008771939 1336923802 /nfs/dbraw/zinc/92/38/02/1336923802.db2.gz WOGDQXHFHWOMRX-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292880 1371014592 /nfs/dbraw/zinc/01/45/92/1371014592.db2.gz FHURCLDWCOHTOJ-INIZCTEOSA-N 2 0 341.293 3.409 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014723022 1337884522 /nfs/dbraw/zinc/88/45/22/1337884522.db2.gz NYHAIJCUTZAPIF-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015793591 1338313051 /nfs/dbraw/zinc/31/30/51/1338313051.db2.gz AOIHWNKEZMMUSC-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015797118 1338315164 /nfs/dbraw/zinc/31/51/64/1338315164.db2.gz XWOJFGPTOYBLLT-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001015796737 1338315914 /nfs/dbraw/zinc/31/59/14/1338315914.db2.gz PRBGGKQAFGNIEA-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001016339667 1338555376 /nfs/dbraw/zinc/55/53/76/1338555376.db2.gz QSUAZGLKBNNKFG-LJQANCHMSA-N 2 0 341.499 3.053 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623313 1338667977 /nfs/dbraw/zinc/66/79/77/1338667977.db2.gz CWHKWGJJKFZWNQ-PKOBYXMFSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016830764 1338740540 /nfs/dbraw/zinc/74/05/40/1338740540.db2.gz VIVZCCIMTZWRTM-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2)[NH+]1CCCCCC1 ZINC001016861662 1338750946 /nfs/dbraw/zinc/75/09/46/1338750946.db2.gz OWYXMKGCSOQPGB-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017151969 1338901753 /nfs/dbraw/zinc/90/17/53/1338901753.db2.gz JHYANWJVMIBABJ-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCC3)C2)C1 ZINC001017190639 1338936882 /nfs/dbraw/zinc/93/68/82/1338936882.db2.gz BZBMDYWUNLWPEJ-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017554876 1339366685 /nfs/dbraw/zinc/36/66/85/1339366685.db2.gz FQXSHKOFWBDJLR-YSIASYRMSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659586 1339385444 /nfs/dbraw/zinc/38/54/44/1339385444.db2.gz WMBRYZZEUGWWHR-YRXWBPOGSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018836499 1339736033 /nfs/dbraw/zinc/73/60/33/1339736033.db2.gz BNXNSASQBPNBKV-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332157 1340570600 /nfs/dbraw/zinc/57/06/00/1340570600.db2.gz ABZDPRRMNKPZBC-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028646807 1340741943 /nfs/dbraw/zinc/74/19/43/1340741943.db2.gz AUNBHFAGRJKYNG-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001029001814 1340904675 /nfs/dbraw/zinc/90/46/75/1340904675.db2.gz CJKWGUUDQVBKIF-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001029001810 1340904966 /nfs/dbraw/zinc/90/49/66/1340904966.db2.gz CJKWGUUDQVBKIF-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001029004397 1340905235 /nfs/dbraw/zinc/90/52/35/1340905235.db2.gz WEKOCVJBLZYLDM-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001029003225 1340905323 /nfs/dbraw/zinc/90/53/23/1340905323.db2.gz JFHURPIZKYSXHN-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001029121474 1340935035 /nfs/dbraw/zinc/93/50/35/1340935035.db2.gz ROELJEXRFVJMKZ-KRWDZBQOSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001029137435 1340940254 /nfs/dbraw/zinc/94/02/54/1340940254.db2.gz XJUGOSGLPYFNEM-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001029356516 1340976673 /nfs/dbraw/zinc/97/66/73/1340976673.db2.gz PPVVXTOYWFJOCW-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP O=C(NC1C[NH+](CCC2CCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001030315443 1341178205 /nfs/dbraw/zinc/17/82/05/1341178205.db2.gz XMKPBOQERQOZEF-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001030442005 1341187752 /nfs/dbraw/zinc/18/77/52/1341187752.db2.gz JTYCKKFEJGFEAV-LJQANCHMSA-N 2 0 349.563 3.266 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001031766735 1341399181 /nfs/dbraw/zinc/39/91/81/1341399181.db2.gz MLFIIVOEAYNFRK-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042761 1341444249 /nfs/dbraw/zinc/44/42/49/1341444249.db2.gz JPTXYNVVZSKQLK-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042548 1341444440 /nfs/dbraw/zinc/44/44/40/1341444440.db2.gz DJZJVVRGDSFYIJ-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001032205572 1341472808 /nfs/dbraw/zinc/47/28/08/1341472808.db2.gz BZYSBONYSLFGEN-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033143542 1341738291 /nfs/dbraw/zinc/73/82/91/1341738291.db2.gz HMMOJCLSDQQFDK-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033145568 1341738900 /nfs/dbraw/zinc/73/89/00/1341738900.db2.gz IEOFKDHVYUZPOP-OALUTQOASA-N 2 0 349.563 3.218 20 0 EGADRP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001033213129 1341754312 /nfs/dbraw/zinc/75/43/12/1341754312.db2.gz HEXUFLAGTYMJPZ-KRWDZBQOSA-N 2 0 342.487 3.225 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319304 1341779992 /nfs/dbraw/zinc/77/99/92/1341779992.db2.gz PFIFWZUHAUZAAR-IEBWSBKVSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033416751 1341820990 /nfs/dbraw/zinc/82/09/90/1341820990.db2.gz RGHXWTVAKFTKFZ-PKOBYXMFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001033468409 1341838291 /nfs/dbraw/zinc/83/82/91/1341838291.db2.gz ZFWMFYDBEPMCAN-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033684457 1341949498 /nfs/dbraw/zinc/94/94/98/1341949498.db2.gz FSQOOKFQQRDSEY-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033826390 1342027238 /nfs/dbraw/zinc/02/72/38/1342027238.db2.gz PJVFWYZLTLHPAJ-RBUKOAKNSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033826367 1342027854 /nfs/dbraw/zinc/02/78/54/1342027854.db2.gz OXQUXPNRLGXGSC-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033837645 1342035961 /nfs/dbraw/zinc/03/59/61/1342035961.db2.gz TXUVCWHJRXZPMB-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989627 1342133356 /nfs/dbraw/zinc/13/33/56/1342133356.db2.gz MSDXQODNVWYKFL-MOPGFXCFSA-N 2 0 349.494 3.033 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012465 1342148836 /nfs/dbraw/zinc/14/88/36/1342148836.db2.gz OZUFVZLIXFEQCM-YLJYHZDGSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001034217847 1342323790 /nfs/dbraw/zinc/32/37/90/1342323790.db2.gz WFLIYNMMCNUXIA-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034237946 1342339735 /nfs/dbraw/zinc/33/97/35/1342339735.db2.gz DJGPZCMLQXURHV-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034248438 1342345477 /nfs/dbraw/zinc/34/54/77/1342345477.db2.gz CEGZTSIGZXTYBL-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250512 1342347936 /nfs/dbraw/zinc/34/79/36/1342347936.db2.gz RGNNYAQYGHLGMC-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290097 1342376330 /nfs/dbraw/zinc/37/63/30/1342376330.db2.gz FYPHUNHYHGCZHX-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001034339401 1342413793 /nfs/dbraw/zinc/41/37/93/1342413793.db2.gz FAUTWZJUYHMKJX-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001034471417 1342525775 /nfs/dbraw/zinc/52/57/75/1342525775.db2.gz CEXSBBGRUCMJQK-QLOJAFMTSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034480781 1342537613 /nfs/dbraw/zinc/53/76/13/1342537613.db2.gz NQUAAJVVJSFAPN-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034491295 1342547933 /nfs/dbraw/zinc/54/79/33/1342547933.db2.gz RYKMPQXENURDNJ-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034528750 1342586119 /nfs/dbraw/zinc/58/61/19/1342586119.db2.gz QECWYYIIZIVZHV-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001034607103 1342645444 /nfs/dbraw/zinc/64/54/44/1342645444.db2.gz KVTMBHISRMYLHL-GUDVDZBRSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034612567 1342648152 /nfs/dbraw/zinc/64/81/52/1342648152.db2.gz SXQJYQXSAGXMAX-JPLJXNOCSA-N 2 0 343.515 3.167 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034675330 1342686529 /nfs/dbraw/zinc/68/65/29/1342686529.db2.gz ZRDCGVXQQPVVND-VAMGGRTRSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034714382 1342710228 /nfs/dbraw/zinc/71/02/28/1342710228.db2.gz ATPVKGWNORHXAE-BJLQDIEVSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001034734485 1342728863 /nfs/dbraw/zinc/72/88/63/1342728863.db2.gz PMGVVXJWBVZVNE-IHPCNDPISA-N 2 0 347.547 3.236 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(C)C)CC1 ZINC001034775390 1342753373 /nfs/dbraw/zinc/75/33/73/1342753373.db2.gz NTZNYDQRTBAXNI-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCCC3)CC2)C1 ZINC001034792107 1342761232 /nfs/dbraw/zinc/76/12/32/1342761232.db2.gz FFCIUMNNOBEQSO-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034795997 1342762696 /nfs/dbraw/zinc/76/26/96/1342762696.db2.gz BBIDGQNJNFQGDE-HNBVOPMISA-N 2 0 343.515 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034817011 1342781131 /nfs/dbraw/zinc/78/11/31/1342781131.db2.gz NQDRABHGGAQCKR-FQEVSTJZSA-N 2 0 343.515 3.067 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC001034821925 1342784197 /nfs/dbraw/zinc/78/41/97/1342784197.db2.gz AYVWXJIUHAGLEJ-FQEVSTJZSA-N 2 0 343.515 3.209 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC001034941242 1342845097 /nfs/dbraw/zinc/84/50/97/1342845097.db2.gz NPWNRWVETLZVFO-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001078811940 1357094141 /nfs/dbraw/zinc/09/41/41/1357094141.db2.gz BKFQWXMJDLQNGE-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001078811937 1357094219 /nfs/dbraw/zinc/09/42/19/1357094219.db2.gz BKFQWXMJDLQNGE-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035239694 1343062994 /nfs/dbraw/zinc/06/29/94/1343062994.db2.gz XFOARHGTBXVNSI-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810599 1343210254 /nfs/dbraw/zinc/21/02/54/1343210254.db2.gz OVSHDFZUYAYVGU-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036097007 1343311919 /nfs/dbraw/zinc/31/19/19/1343311919.db2.gz QXBYLQIYSFPLJR-APWZRJJASA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036202778 1343361342 /nfs/dbraw/zinc/36/13/42/1343361342.db2.gz KJJIIIYDJGIBSX-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036408010 1343469285 /nfs/dbraw/zinc/46/92/85/1343469285.db2.gz CYVOKBXSXSTSRA-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036412750 1343471700 /nfs/dbraw/zinc/47/17/00/1343471700.db2.gz LYYCPKCTBLTJCL-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001036450561 1343494653 /nfs/dbraw/zinc/49/46/53/1343494653.db2.gz NVIUNIMNFKCXIE-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717094 1343649143 /nfs/dbraw/zinc/64/91/43/1343649143.db2.gz PRRIFKYQVLGTJZ-RTBURBONSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859089 1343792900 /nfs/dbraw/zinc/79/29/00/1343792900.db2.gz KBNVBFHSEWQDQU-VQTJNVASSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001037211131 1344045129 /nfs/dbraw/zinc/04/51/29/1344045129.db2.gz CTXCVDYCJIUCPR-QUCCMNQESA-N 2 0 345.531 3.077 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1CCCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038407771 1344414886 /nfs/dbraw/zinc/41/48/86/1344414886.db2.gz ZLOVRAIONMEREO-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCC2)ccc2c[nH+]cn21 ZINC001038441338 1344429962 /nfs/dbraw/zinc/42/99/62/1344429962.db2.gz IADUFJHDSVTVPR-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001038518638 1344462698 /nfs/dbraw/zinc/46/26/98/1344462698.db2.gz FAZLXCJJZBMMKY-JXFKEZNVSA-N 2 0 348.450 3.208 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001039047264 1344732570 /nfs/dbraw/zinc/73/25/70/1344732570.db2.gz CMESKBRBMWUFGE-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039133745 1344812106 /nfs/dbraw/zinc/81/21/06/1344812106.db2.gz LPOSXJSQUPVYJS-UXHICEINSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039175834 1344867181 /nfs/dbraw/zinc/86/71/81/1344867181.db2.gz DWLOTGXONYJXTL-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039175833 1344867757 /nfs/dbraw/zinc/86/77/57/1344867757.db2.gz DWLOTGXONYJXTL-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC001039183043 1344881019 /nfs/dbraw/zinc/88/10/19/1344881019.db2.gz UZJVAVSYBVSVJM-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214364 1344930040 /nfs/dbraw/zinc/93/00/40/1344930040.db2.gz OKPIKEWELLLJPD-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241746 1344967093 /nfs/dbraw/zinc/96/70/93/1344967093.db2.gz IBEJKDXEFGNFDL-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424172 1345061470 /nfs/dbraw/zinc/06/14/70/1345061470.db2.gz DHGVMOKCTIBCQU-FFGOWVMKSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC2CCCC2)CCC1 ZINC001039644032 1345152360 /nfs/dbraw/zinc/15/23/60/1345152360.db2.gz LCEMSFUDYJAENT-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC2CCCCC2)CCC1 ZINC001039644065 1345152619 /nfs/dbraw/zinc/15/26/19/1345152619.db2.gz LXYZKISBAFJPOH-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@H](C)c1ccccc1)[NH+](C)C ZINC001039681450 1345157487 /nfs/dbraw/zinc/15/74/87/1345157487.db2.gz CSIPGDLNPAMKNX-RSPOEFSDSA-N 2 0 343.515 3.153 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001039863614 1345219615 /nfs/dbraw/zinc/21/96/15/1345219615.db2.gz JZFHFUKQSOEVQY-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC1 ZINC001039937845 1345252006 /nfs/dbraw/zinc/25/20/06/1345252006.db2.gz HCEMCBXHLCPGFN-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040202045 1345373627 /nfs/dbraw/zinc/37/36/27/1345373627.db2.gz PGGLUEMRAYEZSL-PZJWPPBQSA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040242181 1345392472 /nfs/dbraw/zinc/39/24/72/1345392472.db2.gz WZDQBKNGQCKJDC-PZJWPPBQSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480107 1345514032 /nfs/dbraw/zinc/51/40/32/1345514032.db2.gz RTVVPMCUZRADRH-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040487732 1345516984 /nfs/dbraw/zinc/51/69/84/1345516984.db2.gz GQKFSFXHSRNGRG-FPOVZHCZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001040703566 1345567821 /nfs/dbraw/zinc/56/78/21/1345567821.db2.gz ICYHROVWMNEJFU-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040744952 1345573515 /nfs/dbraw/zinc/57/35/15/1345573515.db2.gz FPBNOABKBDIBTA-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041842120 1345869696 /nfs/dbraw/zinc/86/96/96/1345869696.db2.gz BHQSPGFBBNCTAR-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041845100 1345871173 /nfs/dbraw/zinc/87/11/73/1345871173.db2.gz SRORVDSZHBZFBY-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365317 1346057937 /nfs/dbraw/zinc/05/79/37/1346057937.db2.gz MZLSQJYTMRSJSP-AZUAARDMSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001044170375 1346265228 /nfs/dbraw/zinc/26/52/28/1346265228.db2.gz OAQJBSISTAWBMQ-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044627604 1346386598 /nfs/dbraw/zinc/38/65/98/1346386598.db2.gz ASYLIKZWJQAWHW-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044628677 1346387148 /nfs/dbraw/zinc/38/71/48/1346387148.db2.gz IQWZFGJOHYPPPR-IEBWSBKVSA-N 2 0 347.547 3.330 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCC3CC3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001044657254 1346395343 /nfs/dbraw/zinc/39/53/43/1346395343.db2.gz KPCSSSMBEXLELP-RHSMWYFYSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767447 1346424560 /nfs/dbraw/zinc/42/45/60/1346424560.db2.gz OSTZMKQITJQAIE-QFBILLFUSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C[C@H]2C)CC1 ZINC001044791114 1346428590 /nfs/dbraw/zinc/42/85/90/1346428590.db2.gz FHFPDLDIVABRPS-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045061136 1346488420 /nfs/dbraw/zinc/48/84/20/1346488420.db2.gz UASOAGADZRTNQX-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045103831 1346495372 /nfs/dbraw/zinc/49/53/72/1346495372.db2.gz OZZUGSXZLMOKDB-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001045310114 1346556199 /nfs/dbraw/zinc/55/61/99/1346556199.db2.gz GIJSNEKBNVYMIZ-YJBOKZPZSA-N 2 0 349.906 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001045444357 1346595131 /nfs/dbraw/zinc/59/51/31/1346595131.db2.gz KYIDRJWNOVUIPY-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CCC(C[NH+]2CCC(C)(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001045528613 1346618113 /nfs/dbraw/zinc/61/81/13/1346618113.db2.gz ANNGOXOUIAEOKC-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950549 1346785722 /nfs/dbraw/zinc/78/57/22/1346785722.db2.gz FNMUSJZAEBEPNU-FQEVSTJZSA-N 2 0 340.471 3.063 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045964991 1346800591 /nfs/dbraw/zinc/80/05/91/1346800591.db2.gz BBJFHDQRSACAPG-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046316730 1346932066 /nfs/dbraw/zinc/93/20/66/1346932066.db2.gz QGZOMOVLKALRSR-TZIWHRDSSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046316939 1346932220 /nfs/dbraw/zinc/93/22/20/1346932220.db2.gz CPWKBENOTCENGL-XLIONFOSSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046368448 1346952020 /nfs/dbraw/zinc/95/20/20/1346952020.db2.gz CHGLKZGSSSEBIB-PZJWPPBQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046375728 1346954276 /nfs/dbraw/zinc/95/42/76/1346954276.db2.gz OYKIIOFXJGRJCU-CTNGQTDRSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1c(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001046435265 1346974818 /nfs/dbraw/zinc/97/48/18/1346974818.db2.gz AFENIVYYLUWFMV-NRFANRHFSA-N 2 0 348.450 3.037 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001046570332 1347022226 /nfs/dbraw/zinc/02/22/26/1347022226.db2.gz ZDSHNADRTRXNRS-CUWPLCDZSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739861 1347078194 /nfs/dbraw/zinc/07/81/94/1347078194.db2.gz XGNXHAINPFMIKI-HXUWFJFHSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCCC1)C2 ZINC001047201875 1347241500 /nfs/dbraw/zinc/24/15/00/1347241500.db2.gz WOSVSKUQNFBCHL-UFYCRDLUSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047243728 1347269368 /nfs/dbraw/zinc/26/93/68/1347269368.db2.gz OBPJGNPEGBAEDC-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244435 1347269780 /nfs/dbraw/zinc/26/97/80/1347269780.db2.gz RCIVEHHKUPAJFT-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047253748 1347277837 /nfs/dbraw/zinc/27/78/37/1347277837.db2.gz HUMDACBMRMITFX-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047257173 1347280160 /nfs/dbraw/zinc/28/01/60/1347280160.db2.gz PFZQDCFRHVJQNQ-ICSRJNTNSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266252 1347287413 /nfs/dbraw/zinc/28/74/13/1347287413.db2.gz UPPYWKWBZQIAAC-UYAOXDASSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001079687814 1357349015 /nfs/dbraw/zinc/34/90/15/1357349015.db2.gz WQJBDCJLSMXRAT-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700560 1357350636 /nfs/dbraw/zinc/35/06/36/1357350636.db2.gz DBLMJXBQMZUYIV-QWFCFKBJSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048607185 1347616747 /nfs/dbraw/zinc/61/67/47/1347616747.db2.gz PZHYKNCQRYXXQK-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001048622420 1347622373 /nfs/dbraw/zinc/62/23/73/1347622373.db2.gz FTPSZIBFDJFSPR-LWYYNNOASA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001048622424 1347622395 /nfs/dbraw/zinc/62/23/95/1347622395.db2.gz FTPSZIBFDJFSPR-WTGUMLROSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049466124 1347861523 /nfs/dbraw/zinc/86/15/23/1347861523.db2.gz ZNBWNHZZXBUPSQ-GUDVDZBRSA-N 2 0 349.563 3.361 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477872 1347868634 /nfs/dbraw/zinc/86/86/34/1347868634.db2.gz JPJJFWWLVWWTTP-ROUUACIJSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049566192 1347913745 /nfs/dbraw/zinc/91/37/45/1347913745.db2.gz HGNRREUZFUJPGV-XUVXKRRUSA-N 2 0 347.547 3.138 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001049768163 1348011462 /nfs/dbraw/zinc/01/14/62/1348011462.db2.gz UFGYOPRBBNHAFG-MISYRCLQSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915601 1348110052 /nfs/dbraw/zinc/11/00/52/1348110052.db2.gz XFSVBAVLIAATLH-AQNXPRMDSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046467 1348164636 /nfs/dbraw/zinc/16/46/36/1348164636.db2.gz FWOLVLALKWNMTQ-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175313 1348202967 /nfs/dbraw/zinc/20/29/67/1348202967.db2.gz OZNXUGCNKVFTME-YSIASYRMSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC001050265223 1348222649 /nfs/dbraw/zinc/22/26/49/1348222649.db2.gz LJJVUJVOXXEWRZ-XLIONFOSSA-N 2 0 345.531 3.482 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC001050265224 1348222737 /nfs/dbraw/zinc/22/27/37/1348222737.db2.gz LJJVUJVOXXEWRZ-YLJYHZDGSA-N 2 0 345.531 3.482 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050336524 1348230689 /nfs/dbraw/zinc/23/06/89/1348230689.db2.gz NBAIDYUFXZZECS-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001050389943 1348247699 /nfs/dbraw/zinc/24/76/99/1348247699.db2.gz IWARMLKLOHBBHM-WFAGLZIHSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050392833 1348249060 /nfs/dbraw/zinc/24/90/60/1348249060.db2.gz IQZXWLNEAIZCPN-HNBVOPMISA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050521454 1348283017 /nfs/dbraw/zinc/28/30/17/1348283017.db2.gz YCOGAUFCSRTRAA-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050632639 1348309393 /nfs/dbraw/zinc/30/93/93/1348309393.db2.gz LFFRVKPNPRFHIG-LJQANCHMSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CCCCCC1)CC2)[NH+](C)C ZINC001050668852 1348321961 /nfs/dbraw/zinc/32/19/61/1348321961.db2.gz GHQIDBHQAFCZQJ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1)[NH+](C)C ZINC001051356354 1348442304 /nfs/dbraw/zinc/44/23/04/1348442304.db2.gz RMPOOLHIHAIDTJ-LZQZEXGQSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052377116 1348535428 /nfs/dbraw/zinc/53/54/28/1348535428.db2.gz NJRWMDLUJXYNML-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052499486 1348560398 /nfs/dbraw/zinc/56/03/98/1348560398.db2.gz WDBJTSMVKXGAAI-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531449 1348567629 /nfs/dbraw/zinc/56/76/29/1348567629.db2.gz JHRZGGSCYMUMCE-GOSISDBHSA-N 2 0 342.487 3.355 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001052590809 1348588941 /nfs/dbraw/zinc/58/89/41/1348588941.db2.gz HAGWFQYHIVPLLC-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC001052652134 1348614401 /nfs/dbraw/zinc/61/44/01/1348614401.db2.gz UBMQSVRUHDFCOK-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC001052652132 1348614710 /nfs/dbraw/zinc/61/47/10/1348614710.db2.gz UBMQSVRUHDFCOK-MOPGFXCFSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052712953 1348645204 /nfs/dbraw/zinc/64/52/04/1348645204.db2.gz QGOXRMHUCGREDU-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC001052715968 1348645314 /nfs/dbraw/zinc/64/53/14/1348645314.db2.gz KEGMVYVWITUHAI-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC001052717292 1348646853 /nfs/dbraw/zinc/64/68/53/1348646853.db2.gz VNKGTUSZRGAUBG-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001052764723 1348669711 /nfs/dbraw/zinc/66/97/11/1348669711.db2.gz RMTVKANRCIVJPO-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC1 ZINC001052766940 1348670845 /nfs/dbraw/zinc/67/08/45/1348670845.db2.gz QCXXHZWBDOKQKA-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)CC1 ZINC001052821367 1348690005 /nfs/dbraw/zinc/69/00/05/1348690005.db2.gz YJDDJFPBNFSTGO-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)CC2)CC1 ZINC001052836214 1348695146 /nfs/dbraw/zinc/69/51/46/1348695146.db2.gz GKDQZWNJLSHYGL-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837771 1348695686 /nfs/dbraw/zinc/69/56/86/1348695686.db2.gz VUIUKUCOQCILRX-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001052937221 1348757140 /nfs/dbraw/zinc/75/71/40/1348757140.db2.gz IPAVNBWACNUZPV-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953722 1348768745 /nfs/dbraw/zinc/76/87/45/1348768745.db2.gz GTJZHGGGPKNYEN-FQEVSTJZSA-N 2 0 343.515 3.299 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052955465 1348769447 /nfs/dbraw/zinc/76/94/47/1348769447.db2.gz GPUAGSVZBFQAPW-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956872 1348771271 /nfs/dbraw/zinc/77/12/71/1348771271.db2.gz BDJVHZNLKNHVGN-GOSISDBHSA-N 2 0 331.504 3.133 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC001052959738 1348772865 /nfs/dbraw/zinc/77/28/65/1348772865.db2.gz XETNYAIZTXHEIR-CEUCYRDJSA-N 2 0 349.906 3.085 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029972 1348828901 /nfs/dbraw/zinc/82/89/01/1348828901.db2.gz ZGTXTLQWQZJAHM-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047751 1348849857 /nfs/dbraw/zinc/84/98/57/1348849857.db2.gz RTTQHSLKYLPDCH-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053743 1348859126 /nfs/dbraw/zinc/85/91/26/1348859126.db2.gz BUJIIKHMQXGPBD-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053096920 1348926909 /nfs/dbraw/zinc/92/69/09/1348926909.db2.gz BHSIGCXJUSGPRT-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001054152732 1349156220 /nfs/dbraw/zinc/15/62/20/1349156220.db2.gz GUUZMNSWXUVLEZ-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054153476 1349157095 /nfs/dbraw/zinc/15/70/95/1349157095.db2.gz RMZHKRCBEUTBNA-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001054191052 1349193396 /nfs/dbraw/zinc/19/33/96/1349193396.db2.gz YEDFSJLQZRTZHZ-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054197611 1349199455 /nfs/dbraw/zinc/19/94/55/1349199455.db2.gz FVEDWQBGIVOFRU-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001054199198 1349201340 /nfs/dbraw/zinc/20/13/40/1349201340.db2.gz PRQXWDAAUUTLRI-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245043 1349238802 /nfs/dbraw/zinc/23/88/02/1349238802.db2.gz NSYXNGHURYHVEE-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245045 1349238919 /nfs/dbraw/zinc/23/89/19/1349238919.db2.gz NSYXNGHURYHVEE-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054279498 1349280879 /nfs/dbraw/zinc/28/08/79/1349280879.db2.gz HYZVBGDHGOCUMB-MRXNPFEDSA-N 2 0 343.515 3.006 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001054296434 1349301418 /nfs/dbraw/zinc/30/14/18/1349301418.db2.gz GDMIEPCARLVNMZ-NLWGTHIKSA-N 2 0 345.531 3.285 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001054296807 1349301999 /nfs/dbraw/zinc/30/19/99/1349301999.db2.gz PRNUPINADOVBGF-NLWGTHIKSA-N 2 0 343.515 3.039 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001080021931 1357460694 /nfs/dbraw/zinc/46/06/94/1357460694.db2.gz YTIYIEDXJLHJCG-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558890 1357678347 /nfs/dbraw/zinc/67/83/47/1357678347.db2.gz JVOYGVFWHKLGHR-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001323016353 1387266714 /nfs/dbraw/zinc/26/67/14/1387266714.db2.gz WEUXUTNALPBLGS-APWZRJJASA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001071508590 1354733580 /nfs/dbraw/zinc/73/35/80/1354733580.db2.gz QHLLLAIBSYSYDL-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600631 1354788988 /nfs/dbraw/zinc/78/89/88/1354788988.db2.gz OLAIYKAYOYWLPW-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071689154 1354852475 /nfs/dbraw/zinc/85/24/75/1354852475.db2.gz GPOWOUINFKRYCX-YJBOKZPZSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1CCC1CC1 ZINC001071896686 1355011932 /nfs/dbraw/zinc/01/19/32/1355011932.db2.gz HNEMORQBXMYBFJ-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCC1CCCCCC1 ZINC001072082382 1355119318 /nfs/dbraw/zinc/11/93/18/1355119318.db2.gz ZCPPPUSFZNWZPN-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001183240616 1387283798 /nfs/dbraw/zinc/28/37/98/1387283798.db2.gz MSPSDXNNLNECKY-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001074064638 1356061888 /nfs/dbraw/zinc/06/18/88/1356061888.db2.gz FTCVUXZGNYENEA-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001074648747 1356220989 /nfs/dbraw/zinc/22/09/89/1356220989.db2.gz IHJOHSAXSHHHKN-YSIASYRMSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C ZINC001074648537 1356221252 /nfs/dbraw/zinc/22/12/52/1356221252.db2.gz DDRSGWRIGQFGER-WDSOQIARSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074693798 1356224391 /nfs/dbraw/zinc/22/43/91/1356224391.db2.gz TYTGMOLRZLSXSG-IHPCNDPISA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074693485 1356224633 /nfs/dbraw/zinc/22/46/33/1356224633.db2.gz COPICRTYQZUPGM-UHOSZYNNSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448309 1356380888 /nfs/dbraw/zinc/38/08/88/1356380888.db2.gz SXMSSSZVPJLRQY-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC1 ZINC001075457050 1356388945 /nfs/dbraw/zinc/38/89/45/1356388945.db2.gz HWHYGZCOPOBRNK-BJLQDIEVSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(CC)CC)C[C@H]32)C1 ZINC001076161805 1356510178 /nfs/dbraw/zinc/51/01/78/1356510178.db2.gz TVMPZDXDLFYYSQ-XUVXKRRUSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324104 1356548934 /nfs/dbraw/zinc/54/89/34/1356548934.db2.gz NLALEOYTXRDWNH-GBESFXJTSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001098485886 1363340416 /nfs/dbraw/zinc/34/04/16/1363340416.db2.gz ZCTCMANSRLZYDL-NXHRZFHOSA-N 2 0 347.503 3.257 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183254293 1387285941 /nfs/dbraw/zinc/28/59/41/1387285941.db2.gz BVFBGMWKZUZSOL-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2)[NH+]1CCCC1 ZINC001078696700 1357059841 /nfs/dbraw/zinc/05/98/41/1357059841.db2.gz XGBBPUHPZKCKTP-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001080998960 1357777105 /nfs/dbraw/zinc/77/71/05/1357777105.db2.gz VORWVRQXMLNRGT-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001082944204 1358107123 /nfs/dbraw/zinc/10/71/23/1358107123.db2.gz JGEBUCJFZITESV-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001183509183 1387315424 /nfs/dbraw/zinc/31/54/24/1387315424.db2.gz CDFIZGJFDYWQBD-WIYYLYMNSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001183517310 1387316005 /nfs/dbraw/zinc/31/60/05/1387316005.db2.gz ZTKXHPVXBQOYBY-QWFCFKBJSA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853316 1358328342 /nfs/dbraw/zinc/32/83/42/1358328342.db2.gz HJTDKZVADUUZHG-VAMGGRTRSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085217426 1358436474 /nfs/dbraw/zinc/43/64/74/1358436474.db2.gz AWGZPVUFIKWADD-VAMGGRTRSA-N 2 0 343.515 3.078 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085217891 1358436607 /nfs/dbraw/zinc/43/66/07/1358436607.db2.gz WIUZRDYEPIVKQC-QRVBRYPASA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085389311 1358485931 /nfs/dbraw/zinc/48/59/31/1358485931.db2.gz CTWBDTXHLPWHSU-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085432442 1358498522 /nfs/dbraw/zinc/49/85/22/1358498522.db2.gz XZMJHNXADFKEJR-QRVBRYPASA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085594069 1358620150 /nfs/dbraw/zinc/62/01/50/1358620150.db2.gz YDJCUSBTDIUIMZ-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597649 1358623909 /nfs/dbraw/zinc/62/39/09/1358623909.db2.gz CFMNDOKRGRCHCL-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597648 1358624191 /nfs/dbraw/zinc/62/41/91/1358624191.db2.gz CFMNDOKRGRCHCL-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCCC1CCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699932 1358694009 /nfs/dbraw/zinc/69/40/09/1358694009.db2.gz ZOEHAAFVQLSWRW-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183869563 1387364085 /nfs/dbraw/zinc/36/40/85/1387364085.db2.gz WJXKIOYOVIRUJS-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994169 1358949285 /nfs/dbraw/zinc/94/92/85/1358949285.db2.gz DOXSRADYXWDOSW-SJORKVTESA-N 2 0 349.519 3.314 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001086119339 1359001415 /nfs/dbraw/zinc/00/14/15/1359001415.db2.gz KMEFKFOFDRQYFF-YRPNKDGESA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001086148919 1359009037 /nfs/dbraw/zinc/00/90/37/1359009037.db2.gz HZWXUUAZFYABLV-TXPKVOOTSA-N 2 0 348.450 3.194 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001086371778 1359079498 /nfs/dbraw/zinc/07/94/98/1359079498.db2.gz YTGKCUXWQKQLNN-NXWXRZEISA-N 2 0 349.563 3.027 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001086399391 1359086766 /nfs/dbraw/zinc/08/67/66/1359086766.db2.gz AGLVOUGKYLIKEH-LWYYNNOASA-N 2 0 347.547 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086402179 1359088391 /nfs/dbraw/zinc/08/83/91/1359088391.db2.gz KZFFUFFZKIWTDI-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086558791 1359145105 /nfs/dbraw/zinc/14/51/05/1359145105.db2.gz RIUKIIHSLVGXNX-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086734636 1359193495 /nfs/dbraw/zinc/19/34/95/1359193495.db2.gz NJLYHXZKPAZCGE-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086882787 1359220493 /nfs/dbraw/zinc/22/04/93/1359220493.db2.gz MKJVHLFJMJNNPM-UHOSZYNNSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2 ZINC001086926970 1359252011 /nfs/dbraw/zinc/25/20/11/1359252011.db2.gz OTSOWLFVOPPEDY-RBUKOAKNSA-N 2 0 349.563 3.361 20 0 EGADRP C[C@@H]1CC2(CN1C(=O)[C@H]1CC[N@H+](C)C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086956611 1359277620 /nfs/dbraw/zinc/27/76/20/1359277620.db2.gz RHFAFIMJFJGDLH-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087208100 1359321537 /nfs/dbraw/zinc/32/15/37/1359321537.db2.gz MFUKRXJAIOTOGU-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]C(C)C)o1 ZINC001087251000 1359330909 /nfs/dbraw/zinc/33/09/09/1359330909.db2.gz UPPNCNVTRYIEGO-SJORKVTESA-N 2 0 349.519 3.360 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184135310 1387398799 /nfs/dbraw/zinc/39/87/99/1387398799.db2.gz NMEUGJAKFXQQOE-BBRMVZONSA-N 2 0 337.305 3.312 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001087569743 1359536161 /nfs/dbraw/zinc/53/61/61/1359536161.db2.gz KSNZOPJAAMCVDQ-ZCNNSNEGSA-N 2 0 347.547 3.329 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)C ZINC001087602442 1359551114 /nfs/dbraw/zinc/55/11/14/1359551114.db2.gz PULUPTJMOQOSQY-OTWHNJEPSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001087726094 1359613694 /nfs/dbraw/zinc/61/36/94/1359613694.db2.gz QQBYLPYMFHYMPY-NZSAHSFTSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC(C)(C)C ZINC001087728460 1359613988 /nfs/dbraw/zinc/61/39/88/1359613988.db2.gz XTUMEQSIXLUDHI-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CC[C@@H](C)F ZINC001087839853 1359673615 /nfs/dbraw/zinc/67/36/15/1359673615.db2.gz WXUWVGYNFHKPKT-AYOQOUSVSA-N 2 0 349.494 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088323516 1359830705 /nfs/dbraw/zinc/83/07/05/1359830705.db2.gz QXHRSOFJSKGVCX-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088382000 1359864732 /nfs/dbraw/zinc/86/47/32/1359864732.db2.gz ROQBCEGZNJGFTM-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088563486 1359973943 /nfs/dbraw/zinc/97/39/43/1359973943.db2.gz SGWXIJAGBVFEOI-NEWSRXKRSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088563338 1359974549 /nfs/dbraw/zinc/97/45/49/1359974549.db2.gz MYVAMUHVVCDVOO-NZSAHSFTSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088579536 1359978795 /nfs/dbraw/zinc/97/87/95/1359978795.db2.gz NTAZMKXPELGCGY-BTHPGYMESA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CC1=CCCCC1 ZINC001088748476 1360028994 /nfs/dbraw/zinc/02/89/94/1360028994.db2.gz GYRVMFQUSKVRPB-BEFAXECRSA-N 2 0 338.455 3.027 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1C ZINC001088898841 1360098538 /nfs/dbraw/zinc/09/85/38/1360098538.db2.gz YKJWVVRBTYUDPG-BPQIPLTHSA-N 2 0 349.544 3.090 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCC3)[C@@H]2C)o1 ZINC001089070781 1360159901 /nfs/dbraw/zinc/15/99/01/1360159901.db2.gz XPBKLMLEVNKFRO-QAPCUYQASA-N 2 0 347.503 3.114 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)C1CCC1 ZINC001089186624 1360236925 /nfs/dbraw/zinc/23/69/25/1360236925.db2.gz JXYMMRCQSHHBSJ-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001089252022 1360283565 /nfs/dbraw/zinc/28/35/65/1360283565.db2.gz IYRRBIXNGWLWDI-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089381819 1360384495 /nfs/dbraw/zinc/38/44/95/1360384495.db2.gz OQYFEPHJKQUMIW-RTBURBONSA-N 2 0 349.563 3.432 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383399 1360385330 /nfs/dbraw/zinc/38/53/30/1360385330.db2.gz YCFANCNTTFZFBA-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089405768 1360404257 /nfs/dbraw/zinc/40/42/57/1360404257.db2.gz DULYYXHKRWICDU-ROUUACIJSA-N 2 0 337.552 3.265 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089420125 1360414254 /nfs/dbraw/zinc/41/42/54/1360414254.db2.gz JXGNUJPHKQXMCE-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430818 1360422920 /nfs/dbraw/zinc/42/29/20/1360422920.db2.gz USZVNINWWSEDHR-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558236 1360507399 /nfs/dbraw/zinc/50/73/99/1360507399.db2.gz GBPJNCVUDJYRPP-OALUTQOASA-N 2 0 347.547 3.045 20 0 EGADRP CC1(C)C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2=CCCCC2)C1 ZINC001089562559 1360509789 /nfs/dbraw/zinc/50/97/89/1360509789.db2.gz HTEDUPJHSJTVCR-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664184 1360574021 /nfs/dbraw/zinc/57/40/21/1360574021.db2.gz DTYVJGIKMSTPFV-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663987 1360574468 /nfs/dbraw/zinc/57/44/68/1360574468.db2.gz BSXUDVZDPPUQEC-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089670780 1360580860 /nfs/dbraw/zinc/58/08/60/1360580860.db2.gz ILFSGBAAFUJWTQ-GOSISDBHSA-N 2 0 342.487 3.211 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCCC2)C1 ZINC001089732099 1360635648 /nfs/dbraw/zinc/63/56/48/1360635648.db2.gz MCHZOYGUYIUGJU-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NCC1CC([NH2+]CC2CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001091199618 1361004983 /nfs/dbraw/zinc/00/49/83/1361004983.db2.gz SLYZUPKBDREZMT-AFMYVXGZSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091267472 1361027234 /nfs/dbraw/zinc/02/72/34/1361027234.db2.gz MKYPIDAXQDDJBY-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804642 1361224839 /nfs/dbraw/zinc/22/48/39/1361224839.db2.gz PELHIIZVMJXNPV-UTKZUKDTSA-N 2 0 349.563 3.076 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N(C)C ZINC001323990375 1387505251 /nfs/dbraw/zinc/50/52/51/1387505251.db2.gz IAPUMJVPWMNXOI-KFKAGJAMSA-N 2 0 331.504 3.429 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001093120332 1361533079 /nfs/dbraw/zinc/53/30/79/1361533079.db2.gz GTHZVEMTPMWNGR-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001095498764 1362157264 /nfs/dbraw/zinc/15/72/64/1362157264.db2.gz CZXAVPZZNPBJCL-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095498700 1362157624 /nfs/dbraw/zinc/15/76/24/1362157624.db2.gz BBFSLVHCNFEWDQ-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095662827 1362198191 /nfs/dbraw/zinc/19/81/91/1362198191.db2.gz VEVRRVGBXXHELG-MDUILUSMSA-N 2 0 340.471 3.024 20 0 EGADRP C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184892842 1387556907 /nfs/dbraw/zinc/55/69/07/1387556907.db2.gz RZKXVOCFILPSCL-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001096015859 1362335648 /nfs/dbraw/zinc/33/56/48/1362335648.db2.gz SWBUQJPEWXLBCQ-RNQOJCNYSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001096348437 1362469894 /nfs/dbraw/zinc/46/98/94/1362469894.db2.gz OQWHNKADJMJCKY-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001096887523 1362767653 /nfs/dbraw/zinc/76/76/53/1362767653.db2.gz MDTHHBZYAIURLA-YRXWBPOGSA-N 2 0 347.547 3.019 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001096887154 1362767739 /nfs/dbraw/zinc/76/77/39/1362767739.db2.gz AYMKGWBAUBNEOV-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CC1CC[NH+](CC(=O)NC2(C)CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001324339731 1387598515 /nfs/dbraw/zinc/59/85/15/1387598515.db2.gz LMQSKNVIYPHCGO-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705567 1363105563 /nfs/dbraw/zinc/10/55/63/1363105563.db2.gz QWPYMNQZSDQTSI-YSTOQKLRSA-N 2 0 347.547 3.161 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001097971855 1363184467 /nfs/dbraw/zinc/18/44/67/1363184467.db2.gz JVVZCTJQMGUXRQ-AFYVEPGGSA-N 2 0 349.563 3.409 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001185089628 1387616532 /nfs/dbraw/zinc/61/65/32/1387616532.db2.gz BOVJTKXAUVFUCP-OXUXSNCKSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001185090880 1387616731 /nfs/dbraw/zinc/61/67/31/1387616731.db2.gz PVUDEHGPFPZXLC-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)(C)C ZINC001324438740 1387623614 /nfs/dbraw/zinc/62/36/14/1387623614.db2.gz SSGFUYCVLFVNBZ-UHFFFAOYSA-N 2 0 345.531 3.196 20 0 EGADRP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098822024 1363482848 /nfs/dbraw/zinc/48/28/48/1363482848.db2.gz VUTXNWVEGJSLCH-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914123 1363517995 /nfs/dbraw/zinc/51/79/95/1363517995.db2.gz MODFCEXLFNCEAN-JXFKEZNVSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153725 1363659603 /nfs/dbraw/zinc/65/96/03/1363659603.db2.gz OXPRKACEEXLDRE-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C)[NH+](CC)CC ZINC001099230978 1363704757 /nfs/dbraw/zinc/70/47/57/1363704757.db2.gz ZMLKTMBGHPHZCI-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1)[NH+](C)C ZINC001099240504 1363709150 /nfs/dbraw/zinc/70/91/50/1363709150.db2.gz RVPTWUPQICFVRA-OALUTQOASA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241328 1363710069 /nfs/dbraw/zinc/71/00/69/1363710069.db2.gz YQZAQLOVGDCQEU-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099276411 1363728177 /nfs/dbraw/zinc/72/81/77/1363728177.db2.gz SIAGKLLMAAFSSD-HJCTWCACSA-N 2 0 337.552 3.291 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)CC1 ZINC001099280346 1363729639 /nfs/dbraw/zinc/72/96/39/1363729639.db2.gz FUMVBPHXWVXOBQ-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099334717 1363755995 /nfs/dbraw/zinc/75/59/95/1363755995.db2.gz MDDRRJSXCMNSGZ-YZPMEYCISA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339995 1363759353 /nfs/dbraw/zinc/75/93/53/1363759353.db2.gz NHTFNFRFPGMOPA-OVKVCFKUSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099355321 1363769295 /nfs/dbraw/zinc/76/92/95/1363769295.db2.gz ZKVXRVPHGREMQI-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403806 1364103438 /nfs/dbraw/zinc/10/34/38/1364103438.db2.gz ZCQFMVKGCNFYSH-XBMUEBEBSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403805 1364103604 /nfs/dbraw/zinc/10/36/04/1364103604.db2.gz ZCQFMVKGCNFYSH-JLAWEPINSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001100405748 1364104176 /nfs/dbraw/zinc/10/41/76/1364104176.db2.gz LGZIRLUTTLUOKL-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001100442733 1364116257 /nfs/dbraw/zinc/11/62/57/1364116257.db2.gz SZZLVYLMXZBQEM-DAWZGUTISA-N 2 0 337.552 3.027 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468718 1364125826 /nfs/dbraw/zinc/12/58/26/1364125826.db2.gz MCAWJHQLFYOIMZ-VOTSOKGWSA-N 2 0 349.563 3.480 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185261851 1387662925 /nfs/dbraw/zinc/66/29/25/1387662925.db2.gz YJXRMTROXVZSMY-YZKSSJSGSA-N 2 0 349.563 3.149 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccccc2C(C)C)C1 ZINC001100831496 1364282914 /nfs/dbraw/zinc/28/29/14/1364282914.db2.gz YWXHPVAJBREAHA-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001101026340 1364381083 /nfs/dbraw/zinc/38/10/83/1364381083.db2.gz FBCQMGMXBVVQFF-UHFFFAOYSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001101037454 1364383716 /nfs/dbraw/zinc/38/37/16/1364383716.db2.gz NMQSCFCOJPHNMX-SOAGJPPSSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101066660 1364398229 /nfs/dbraw/zinc/39/82/29/1364398229.db2.gz BEXMHNPLGMYTRL-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCC3CC3)C[C@@]2(C)C1 ZINC001101395722 1364544215 /nfs/dbraw/zinc/54/42/15/1364544215.db2.gz KRVJFAPJGVWZPO-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435231 1364562257 /nfs/dbraw/zinc/56/22/57/1364562257.db2.gz DSRMOSHBNLGFFG-HVXOQWJHSA-N 2 0 349.563 3.245 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C(C)(C)C[NH2+]CC3CCC3)CC2)CCC1 ZINC001101547632 1364611309 /nfs/dbraw/zinc/61/13/09/1364611309.db2.gz JRZJSMMQIJDNSI-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001101550409 1364613539 /nfs/dbraw/zinc/61/35/39/1364613539.db2.gz HKACKCCZBISQDY-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001101559014 1364618942 /nfs/dbraw/zinc/61/89/42/1364618942.db2.gz PTIVMNRXJOTYHN-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001101582311 1364635010 /nfs/dbraw/zinc/63/50/10/1364635010.db2.gz KRNPEPVEPOMIDW-GOSISDBHSA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983823 1364799280 /nfs/dbraw/zinc/79/92/80/1364799280.db2.gz MZUXDFVGQJXNTH-QVZWHDGZSA-N 2 0 349.563 3.147 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185444830 1387718038 /nfs/dbraw/zinc/71/80/38/1387718038.db2.gz CASOTQDNIIPYBZ-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)c1 ZINC001102601176 1365131452 /nfs/dbraw/zinc/13/14/52/1365131452.db2.gz PHFIQHOSQKLYLU-WSTZPKSXSA-N 2 0 345.531 3.080 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600070 1365131887 /nfs/dbraw/zinc/13/18/87/1365131887.db2.gz KPEHHRRFLSUEQP-ODWICZQRSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001102977402 1365324951 /nfs/dbraw/zinc/32/49/51/1365324951.db2.gz ZJLLJWBFCNZEOL-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185527108 1387739513 /nfs/dbraw/zinc/73/95/13/1387739513.db2.gz PJOHVTHBHUXMOP-MGBKSAOESA-N 2 0 337.552 3.149 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103550619 1365629142 /nfs/dbraw/zinc/62/91/42/1365629142.db2.gz ZCEZBTRWNWFLNU-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570977 1365645036 /nfs/dbraw/zinc/64/50/36/1365645036.db2.gz OSXPIJRMPSAQGH-BGEOSOQGSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291273 1365977840 /nfs/dbraw/zinc/97/78/40/1365977840.db2.gz KUHOJFALYYHGBW-UIIZDYNOSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104291600 1365977922 /nfs/dbraw/zinc/97/79/22/1365977922.db2.gz PNMFYQXXEOGKGX-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104354937 1365983550 /nfs/dbraw/zinc/98/35/50/1365983550.db2.gz HBRKIOASVRWSAM-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104378783 1365995284 /nfs/dbraw/zinc/99/52/84/1365995284.db2.gz GPAXZUNWVAYNTR-VAMGGRTRSA-N 2 0 349.563 3.147 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104595049 1366094617 /nfs/dbraw/zinc/09/46/17/1366094617.db2.gz HPRNNJQSNVXJAS-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001104796444 1366176025 /nfs/dbraw/zinc/17/60/25/1366176025.db2.gz SANABOIXPGZCKZ-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2[N@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396734 1366445330 /nfs/dbraw/zinc/44/53/30/1366445330.db2.gz UKECQSOXZZILDW-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105518019 1366505537 /nfs/dbraw/zinc/50/55/37/1366505537.db2.gz PBBOXRFRNAAFTJ-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1)[NH+](C)C ZINC001105544766 1366521509 /nfs/dbraw/zinc/52/15/09/1366521509.db2.gz SYWBOAKRFMSERM-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576612 1366540981 /nfs/dbraw/zinc/54/09/81/1366540981.db2.gz JDQVEICJGURWMT-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106120065 1366612647 /nfs/dbraw/zinc/61/26/47/1366612647.db2.gz NOUYQFXFRSMYBL-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210740 1366624480 /nfs/dbraw/zinc/62/44/80/1366624480.db2.gz CDHYTKYDNAWFGO-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106210725 1366624532 /nfs/dbraw/zinc/62/45/32/1366624532.db2.gz BPCTZZQWGMUEAQ-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106254888 1366634843 /nfs/dbraw/zinc/63/48/43/1366634843.db2.gz AOJBVBIMDXVLCK-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106271620 1366640097 /nfs/dbraw/zinc/64/00/97/1366640097.db2.gz IYICACSECOOCSE-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1)[NH+](C)C ZINC001106633739 1366761496 /nfs/dbraw/zinc/76/14/96/1366761496.db2.gz TXCIYYDAUILXCA-MISYRCLQSA-N 2 0 349.563 3.147 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1)c1ccccc1 ZINC001106868119 1366820500 /nfs/dbraw/zinc/82/05/00/1366820500.db2.gz AUNGBYQYOBHXAK-RLLQIKCJSA-N 2 0 345.531 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438637 1366963882 /nfs/dbraw/zinc/96/38/82/1366963882.db2.gz FSSZAYGDZIENHV-TZIWHRDSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450852 1366968700 /nfs/dbraw/zinc/96/87/00/1366968700.db2.gz OGVQGLJLVDCOQM-NLWGTHIKSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546463 1367037716 /nfs/dbraw/zinc/03/77/16/1367037716.db2.gz DHVOJGADTJMQBZ-LGVOAYDWSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635661 1367086442 /nfs/dbraw/zinc/08/64/42/1367086442.db2.gz WSNJHNBWHQBTTJ-TZIWHRDSSA-N 2 0 349.563 3.413 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001109371391 1367091584 /nfs/dbraw/zinc/09/15/84/1367091584.db2.gz BGFZIEBSKOJVBL-ILENRSAMSA-N 2 0 347.547 3.329 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001189870999 1367121730 /nfs/dbraw/zinc/12/17/30/1367121730.db2.gz GZFLRMJNYDLCIU-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485147 1367152654 /nfs/dbraw/zinc/15/26/54/1367152654.db2.gz MTAWPKJSNTYACR-LRNBNCDBSA-N 2 0 345.531 3.083 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560481 1367198502 /nfs/dbraw/zinc/19/85/02/1367198502.db2.gz BZSDWGJTXDOJCR-QYZOEREBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589852 1367215519 /nfs/dbraw/zinc/21/55/19/1367215519.db2.gz GVCJDYPOUCPJHP-RDGPPVDQSA-N 2 0 349.563 3.265 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190317134 1367225158 /nfs/dbraw/zinc/22/51/58/1367225158.db2.gz CXPSROOPFFOCHN-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325094 1367226797 /nfs/dbraw/zinc/22/67/97/1367226797.db2.gz QNDXAVQQAOVWLB-INPAECQJSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190442784 1367266360 /nfs/dbraw/zinc/26/63/60/1367266360.db2.gz BHXHZPQMPXJJAL-GDBMZVCRSA-N 2 0 337.533 3.002 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743585 1367340318 /nfs/dbraw/zinc/34/03/18/1367340318.db2.gz LUWFPPYOFIUOSJ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860230 1367363845 /nfs/dbraw/zinc/36/38/45/1367363845.db2.gz RDDVVULRSWWCEH-ZSGOLBCISA-N 2 0 349.563 3.431 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061539 1367413308 /nfs/dbraw/zinc/41/33/08/1367413308.db2.gz LRQVCKHNDCJLNN-FUHWJXTLSA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061538 1367413448 /nfs/dbraw/zinc/41/34/48/1367413448.db2.gz LRQVCKHNDCJLNN-AEFFLSMTSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108734410 1367565626 /nfs/dbraw/zinc/56/56/26/1367565626.db2.gz SHCWHHMKMYOGOX-OTWHNJEPSA-N 2 0 347.547 3.186 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765806 1367581232 /nfs/dbraw/zinc/58/12/32/1367581232.db2.gz SYFWTTDMVHRZBX-CMZLPQLFSA-N 2 0 347.547 3.044 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108772626 1367588191 /nfs/dbraw/zinc/58/81/91/1367588191.db2.gz XQDQEBZURKVROP-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784714 1367594701 /nfs/dbraw/zinc/59/47/01/1367594701.db2.gz YNMXMTKHHVBMGP-ATESFJAQSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801064 1367604323 /nfs/dbraw/zinc/60/43/23/1367604323.db2.gz ROXXHFZXZQPUFZ-FHWLQOOXSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108804025 1367605929 /nfs/dbraw/zinc/60/59/29/1367605929.db2.gz JBAGBERUWXLRFN-PMEOWRCESA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828609 1367623805 /nfs/dbraw/zinc/62/38/05/1367623805.db2.gz VKFICTARLTZYKP-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946862 1367646772 /nfs/dbraw/zinc/64/67/72/1367646772.db2.gz FSTLPHCVKKKLGT-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1)[NH+](CC)CC ZINC001192325575 1367752079 /nfs/dbraw/zinc/75/20/79/1367752079.db2.gz LWSADZSFERGBSK-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398339 1367773152 /nfs/dbraw/zinc/77/31/52/1367773152.db2.gz ORDDEOORXRYXPI-QZEKMECESA-N 2 0 337.552 3.243 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001192671599 1367845849 /nfs/dbraw/zinc/84/58/49/1367845849.db2.gz OEJKIQLPHBQAFO-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1)[NH+](C)C ZINC001110711970 1367942157 /nfs/dbraw/zinc/94/21/57/1367942157.db2.gz XRIWTWSSOQBWTM-MKXGPGLRSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809238 1368003660 /nfs/dbraw/zinc/00/36/60/1368003660.db2.gz YXSFPQAMMLEIRM-QRQLOZEOSA-N 2 0 340.471 3.106 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383024 1368015983 /nfs/dbraw/zinc/01/59/83/1368015983.db2.gz NZKYNQAYAFLMKN-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC001193600965 1368071045 /nfs/dbraw/zinc/07/10/45/1368071045.db2.gz PJCZXTGBCSYSJZ-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098642 1368157986 /nfs/dbraw/zinc/15/79/86/1368157986.db2.gz JDLFKNLBJRRMIZ-CFXMGXPISA-N 2 0 347.547 3.327 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111099149 1368158684 /nfs/dbraw/zinc/15/86/84/1368158684.db2.gz SBHCMLFPGQDSQQ-AKHDSKFASA-N 2 0 335.536 3.161 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227305 1368212712 /nfs/dbraw/zinc/21/27/12/1368212712.db2.gz JSQJKOVQCCMOHZ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001194266254 1368219283 /nfs/dbraw/zinc/21/92/83/1368219283.db2.gz MWZCEZCFGRTBSB-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001111465417 1368310771 /nfs/dbraw/zinc/31/07/71/1368310771.db2.gz UKQVQUPLQXIACA-PUROVWCESA-N 2 0 347.547 3.329 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467764 1368312799 /nfs/dbraw/zinc/31/27/99/1368312799.db2.gz VAQTWMOHZCSMGV-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111498510 1368321415 /nfs/dbraw/zinc/32/14/15/1368321415.db2.gz ZWZLODBLNMLNBC-QRVBRYPASA-N 2 0 335.536 3.164 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)C1 ZINC001325321006 1387933144 /nfs/dbraw/zinc/93/31/44/1387933144.db2.gz SAFFURPFICVAFD-CTNGQTDRSA-N 2 0 343.515 3.005 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)C1 ZINC001325321008 1387933235 /nfs/dbraw/zinc/93/32/35/1387933235.db2.gz SAFFURPFICVAFD-PZJWPPBQSA-N 2 0 343.515 3.005 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)C(C)C ZINC001186427315 1387940910 /nfs/dbraw/zinc/94/09/10/1387940910.db2.gz CNOIFGOLYLVCLI-WOJBJXKFSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195853091 1368503661 /nfs/dbraw/zinc/50/36/61/1368503661.db2.gz GSBPWNRKACDPIH-UNQUKWGNSA-N 2 0 347.547 3.142 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155663 1368558568 /nfs/dbraw/zinc/55/85/68/1368558568.db2.gz QFLLPOASEUTJBY-ROUKRRSUSA-N 2 0 349.563 3.245 20 0 EGADRP COC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001196906657 1368712061 /nfs/dbraw/zinc/71/20/61/1368712061.db2.gz CKAWDUJENOASFZ-NRFANRHFSA-N 2 0 330.516 3.442 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC(C)(C)C)C1 ZINC001112284829 1368748288 /nfs/dbraw/zinc/74/82/88/1368748288.db2.gz AQAUIGALFVSIFU-WFXMLNOXSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112382357 1368810767 /nfs/dbraw/zinc/81/07/67/1368810767.db2.gz SZZYESAGYXQDIW-ZVDOUQERSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485833 1368824266 /nfs/dbraw/zinc/82/42/66/1368824266.db2.gz YIIFZUKGHVOQRF-VJIACCKLSA-N 2 0 337.552 3.243 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197809516 1368903116 /nfs/dbraw/zinc/90/31/16/1368903116.db2.gz BRPXLAKXQFJGIL-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001112528764 1368915363 /nfs/dbraw/zinc/91/53/63/1368915363.db2.gz PMARXWYVPOJCAA-NSHGMRRFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001112585725 1368938275 /nfs/dbraw/zinc/93/82/75/1368938275.db2.gz OHMOCIJIMOFGKB-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001198274740 1368995992 /nfs/dbraw/zinc/99/59/92/1368995992.db2.gz PXHLGTKIBXODBB-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001113032672 1369153689 /nfs/dbraw/zinc/15/36/89/1369153689.db2.gz AQEGQWWQCAVVAV-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[NH+](CCCC3CCC3)CC2)CCCCC1 ZINC001113154771 1369231846 /nfs/dbraw/zinc/23/18/46/1369231846.db2.gz APTMITLNRQNBHT-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC001200267323 1369338216 /nfs/dbraw/zinc/33/82/16/1369338216.db2.gz FMCVMJBGAOPUDV-RTBURBONSA-N 2 0 345.575 3.388 20 0 EGADRP S=C(NCC[NH+]1CCCCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001200430362 1369365421 /nfs/dbraw/zinc/36/54/21/1369365421.db2.gz OWBKIKNVRHMLJO-UHFFFAOYSA-N 2 0 346.544 3.055 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200842587 1369437809 /nfs/dbraw/zinc/43/78/09/1369437809.db2.gz ZVVITWBMGMLHOH-WAYWQWQTSA-N 2 0 349.544 3.360 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201043408 1369470538 /nfs/dbraw/zinc/47/05/38/1369470538.db2.gz CXFSWBMPFXWHIP-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001201390135 1369534479 /nfs/dbraw/zinc/53/44/79/1369534479.db2.gz RSYIRTZTPIFTSH-GOSISDBHSA-N 2 0 336.520 3.306 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[NH+](CCC2CCCCC2)CC1 ZINC001113643079 1369540483 /nfs/dbraw/zinc/54/04/83/1369540483.db2.gz YVJSKHLGGBHPMW-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201456893 1369548464 /nfs/dbraw/zinc/54/84/64/1369548464.db2.gz RPAOODDCPSZCQH-UHFFFAOYSA-N 2 0 328.460 3.109 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001201508512 1369560371 /nfs/dbraw/zinc/56/03/71/1369560371.db2.gz GBKZCDVQZNDCKH-GOSISDBHSA-N 2 0 331.504 3.042 20 0 EGADRP CCC/C=C/CC[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113723531 1369586843 /nfs/dbraw/zinc/58/68/43/1369586843.db2.gz YYKIHFMHJCHKSB-SNAWJCMRSA-N 2 0 335.536 3.143 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201610321 1369588722 /nfs/dbraw/zinc/58/87/22/1369588722.db2.gz NJOOZVQJBYNGSL-SNAWJCMRSA-N 2 0 340.471 3.275 20 0 EGADRP COc1cccc(CN2CCOC3(CC[NH+](CCC(C)C)CC3)C2)c1 ZINC001201618380 1369591170 /nfs/dbraw/zinc/59/11/70/1369591170.db2.gz VJHNPEZAJDXLNP-UHFFFAOYSA-N 2 0 346.515 3.408 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(C4CCCC4)no3)cc[nH+]2)CC1 ZINC001201648681 1369596389 /nfs/dbraw/zinc/59/63/89/1369596389.db2.gz LMICOHHXSBBZBL-UHFFFAOYSA-N 2 0 327.432 3.223 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cnc4ccc(F)cc4c3)cc[nH+]2)CC1 ZINC001201658360 1369598281 /nfs/dbraw/zinc/59/82/81/1369598281.db2.gz ZSTZFFNXTGLJEV-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP Cc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(Cl)c1O ZINC001201667034 1369602173 /nfs/dbraw/zinc/60/21/73/1369602173.db2.gz KUSFVVIZLFRWMT-UHFFFAOYSA-N 2 0 332.835 3.244 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201731650 1369612731 /nfs/dbraw/zinc/61/27/31/1369612731.db2.gz SRSNDGYWOBHOKF-AABGKKOBSA-N 2 0 330.520 3.248 20 0 EGADRP CC(C)Oc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001201795146 1369625978 /nfs/dbraw/zinc/62/59/78/1369625978.db2.gz QBHSCPGWRPOPLZ-UHFFFAOYSA-N 2 0 340.471 3.233 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156978 1369703427 /nfs/dbraw/zinc/70/34/27/1369703427.db2.gz RHWWWCNOXHSNQL-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)c1ccccc1 ZINC001202225383 1369717750 /nfs/dbraw/zinc/71/77/50/1369717750.db2.gz VPXRZYBYFPSKFY-LJQANCHMSA-N 2 0 343.515 3.060 20 0 EGADRP CCCN(CC)C[C@@H](C)[NH2+]C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001202612256 1369823288 /nfs/dbraw/zinc/82/32/88/1369823288.db2.gz UURBHHYLGUVRKV-GOSISDBHSA-N 2 0 345.531 3.310 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)CC1 ZINC001325678925 1388028318 /nfs/dbraw/zinc/02/83/18/1388028318.db2.gz FIFYKEGJVBVHLX-MXVIHJGJSA-N 2 0 349.563 3.031 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001202763422 1369883382 /nfs/dbraw/zinc/88/33/82/1369883382.db2.gz DBKXPRFNSHVNOU-SHCNBLLESA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202928463 1369928388 /nfs/dbraw/zinc/92/83/88/1369928388.db2.gz GXNOUFXAXAAUIR-MSOLQXFVSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202978432 1369944269 /nfs/dbraw/zinc/94/42/69/1369944269.db2.gz HKPFYNZXBIWQHG-HZPDHXFCSA-N 2 0 349.544 3.240 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)C(C)C ZINC001202991066 1369948077 /nfs/dbraw/zinc/94/80/77/1369948077.db2.gz HUCTZVWFTFGQHM-SFHVURJKSA-N 2 0 343.531 3.073 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203044705 1369965155 /nfs/dbraw/zinc/96/51/55/1369965155.db2.gz PBLUWDIJJPYNPT-ZWKOTPCHSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203103861 1369983788 /nfs/dbraw/zinc/98/37/88/1369983788.db2.gz NFCPCSSZJJBJRH-MSOLQXFVSA-N 2 0 349.563 3.312 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203104710 1369984737 /nfs/dbraw/zinc/98/47/37/1369984737.db2.gz TXMMQGLZHVSPOA-MSOLQXFVSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104970 1369984792 /nfs/dbraw/zinc/98/47/92/1369984792.db2.gz UPUXFOODFIVVDI-DLBZAZTESA-N 2 0 337.552 3.170 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203169094 1370008046 /nfs/dbraw/zinc/00/80/46/1370008046.db2.gz PEKMQERKGMKZTA-MSOLQXFVSA-N 2 0 340.471 3.155 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203252004 1370041861 /nfs/dbraw/zinc/04/18/61/1370041861.db2.gz YYKREWYCJBMMSZ-DLBZAZTESA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259973 1370047213 /nfs/dbraw/zinc/04/72/13/1370047213.db2.gz ZKRGTHAIEOWNOI-MSOLQXFVSA-N 2 0 349.563 3.314 20 0 EGADRP COc1ccccc1CN1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001203427379 1370121712 /nfs/dbraw/zinc/12/17/12/1370121712.db2.gz GMEXGFKOUUNZQM-FQEVSTJZSA-N 2 0 332.488 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203577004 1370176507 /nfs/dbraw/zinc/17/65/07/1370176507.db2.gz MNVZKHUNIWCJIH-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203630972 1370194146 /nfs/dbraw/zinc/19/41/46/1370194146.db2.gz JMCKDZHWCQZJGA-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203732457 1370240277 /nfs/dbraw/zinc/24/02/77/1370240277.db2.gz YPWHCEQIMGETRS-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823189 1370279240 /nfs/dbraw/zinc/27/92/40/1370279240.db2.gz HXPCJIYLFJTJFR-RTBURBONSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203825284 1370280411 /nfs/dbraw/zinc/28/04/11/1370280411.db2.gz SJYLIVGLLLAWQJ-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001203903791 1370307676 /nfs/dbraw/zinc/30/76/76/1370307676.db2.gz NQRAEQLBCGKAAQ-GHOSXJJBSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001203904479 1370308901 /nfs/dbraw/zinc/30/89/01/1370308901.db2.gz XTQCHNXEUDKPCT-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001203904528 1370308981 /nfs/dbraw/zinc/30/89/81/1370308981.db2.gz ZMOMVDNLQGOPCK-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CCOc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203961564 1370331732 /nfs/dbraw/zinc/33/17/32/1370331732.db2.gz GKAUTAHFNZRPAG-OALUTQOASA-N 2 0 337.467 3.044 20 0 EGADRP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001204177150 1370400356 /nfs/dbraw/zinc/40/03/56/1370400356.db2.gz XOQXLSVRTNIYGP-FGZHOGPDSA-N 2 0 342.527 3.429 20 0 EGADRP Fc1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1F ZINC001204193489 1370403979 /nfs/dbraw/zinc/40/39/79/1370403979.db2.gz MDBPPOWFVWJOQK-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC001204262952 1370424917 /nfs/dbraw/zinc/42/49/17/1370424917.db2.gz CDZDFALROIJJPA-FQEVSTJZSA-N 2 0 332.488 3.020 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@]1(C)O ZINC001204263098 1370425258 /nfs/dbraw/zinc/42/52/58/1370425258.db2.gz GOOUIUONOWEHOX-PXNSSMCTSA-N 2 0 334.504 3.000 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc1 ZINC001204270354 1370428453 /nfs/dbraw/zinc/42/84/53/1370428453.db2.gz STUPPRPVCRSLTL-MRXNPFEDSA-N 2 0 338.492 3.047 20 0 EGADRP Brc1cccc(-c2ccccc2CN2CCC[NH2+]CC2)n1 ZINC001204668403 1370540944 /nfs/dbraw/zinc/54/09/44/1370540944.db2.gz WILISLNMKQZUAY-UHFFFAOYSA-N 2 0 346.272 3.306 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115560021 1370559989 /nfs/dbraw/zinc/55/99/89/1370559989.db2.gz RFLOJDGTLHOBLP-QGZVFWFLSA-N 2 0 343.531 3.121 20 0 EGADRP Fc1cc(OC(F)F)ccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742662 1370561840 /nfs/dbraw/zinc/56/18/40/1370561840.db2.gz QDYJQNAJVUUIGG-UHFFFAOYSA-N 2 0 328.378 3.393 20 0 EGADRP CCn1c2ccccc2c2cc(C[N@@H+]3CCO[C@H](CC[NH3+])C3)ccc21 ZINC001204756047 1370567840 /nfs/dbraw/zinc/56/78/40/1370567840.db2.gz KGWBUVPQFIHUIH-QGZVFWFLSA-N 2 0 337.467 3.364 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115573649 1370576456 /nfs/dbraw/zinc/57/64/56/1370576456.db2.gz SFZYBKXFOSPUFF-GOSISDBHSA-N 2 0 337.552 3.458 20 0 EGADRP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579360 1370582639 /nfs/dbraw/zinc/58/26/39/1370582639.db2.gz KESGATKEGVCCGI-IAGOWNOFSA-N 2 0 341.515 3.018 20 0 EGADRP COc1c(Cl)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1Cl ZINC001204830063 1370585392 /nfs/dbraw/zinc/58/53/92/1370585392.db2.gz HECTVUFGPWYSMD-UHFFFAOYSA-N 2 0 338.238 3.474 20 0 EGADRP O=C1CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@H]2CCCC[C@H]12 ZINC001204847963 1370589253 /nfs/dbraw/zinc/58/92/53/1370589253.db2.gz ISXDRROPPDLVTH-OALUTQOASA-N 2 0 337.467 3.078 20 0 EGADRP C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001204884912 1370596232 /nfs/dbraw/zinc/59/62/32/1370596232.db2.gz DEQVVNDXIAHLBF-QPJJXVBHSA-N 2 0 347.506 3.163 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617421 1370614220 /nfs/dbraw/zinc/61/42/20/1370614220.db2.gz VKOSSUWVGQTSSX-INIZCTEOSA-N 2 0 342.487 3.403 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001115648173 1370636921 /nfs/dbraw/zinc/63/69/21/1370636921.db2.gz DKUBFYZCTSVOCI-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648183 1370637009 /nfs/dbraw/zinc/63/70/09/1370637009.db2.gz DRPUIGVEKKIAAV-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648405 1370637351 /nfs/dbraw/zinc/63/73/51/1370637351.db2.gz OYUSGCKEMGVSCX-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP COc1c(C[NH+]2CCC(C[NH3+])CC2)cccc1OCc1ccccc1 ZINC001205058830 1370639354 /nfs/dbraw/zinc/63/93/54/1370639354.db2.gz VNKJRUDITQKHIW-UHFFFAOYSA-N 2 0 340.467 3.445 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1)[NH+]1CCCC1 ZINC001115661842 1370645750 /nfs/dbraw/zinc/64/57/50/1370645750.db2.gz QYAVDOURFOFEKK-DHZHZOJOSA-N 2 0 341.927 3.022 20 0 EGADRP C[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001205164409 1370667258 /nfs/dbraw/zinc/66/72/58/1370667258.db2.gz FPFKINDSBPXQSR-GOSISDBHSA-N 2 0 335.495 3.211 20 0 EGADRP c1cc(N2CC[NH2+]CC2)ncc1C[NH+]1CCC2(CCCCC2)CC1 ZINC001205171615 1370669447 /nfs/dbraw/zinc/66/94/47/1370669447.db2.gz UKHIMQWKPKJIMD-UHFFFAOYSA-N 2 0 328.504 3.038 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001115688304 1370671893 /nfs/dbraw/zinc/67/18/93/1370671893.db2.gz WIJQQQSBBQFBTE-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001115688305 1370671947 /nfs/dbraw/zinc/67/19/47/1370671947.db2.gz WIJQQQSBBQFBTE-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1ccc(Oc2cccc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)c2)cc1 ZINC001205231437 1370689418 /nfs/dbraw/zinc/68/94/18/1370689418.db2.gz XYWSKJDGCPYVOR-OAQYLSRUSA-N 2 0 340.467 3.463 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(-c3ccccc3)ncc2Cl)CC1 ZINC001205248758 1370695240 /nfs/dbraw/zinc/69/52/40/1370695240.db2.gz SEZWNJUFMSGIHC-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283742 1370705828 /nfs/dbraw/zinc/70/58/28/1370705828.db2.gz FGSBIHLIRYFKFF-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285290 1370706630 /nfs/dbraw/zinc/70/66/30/1370706630.db2.gz VORNEXMAGJEGQV-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730430 1370713356 /nfs/dbraw/zinc/71/33/56/1370713356.db2.gz JPMLGIZHZBSEPI-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205317344 1370718516 /nfs/dbraw/zinc/71/85/16/1370718516.db2.gz OCLKKAXBSWDVHG-LPHOPBHVSA-N 2 0 340.467 3.388 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205460888 1370762859 /nfs/dbraw/zinc/76/28/59/1370762859.db2.gz ADEBYAKIWLQFAO-KKHYBRAUSA-N 2 0 349.563 3.434 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(F)cccc2Br)CC1 ZINC001205559198 1370791611 /nfs/dbraw/zinc/79/16/11/1370791611.db2.gz OTTBVUSCNFHOKQ-CQSZACIVSA-N 2 0 333.220 3.241 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571630 1370795800 /nfs/dbraw/zinc/79/58/00/1370795800.db2.gz WKNFOLDKEYDXSU-INIZCTEOSA-N 2 0 330.831 3.010 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205579612 1370798738 /nfs/dbraw/zinc/79/87/38/1370798738.db2.gz OPAJJLIYOJBHRM-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC001205591673 1370804124 /nfs/dbraw/zinc/80/41/24/1370804124.db2.gz NXSIQAXKQFGBMG-HXUWFJFHSA-N 2 0 343.446 3.314 20 0 EGADRP Fc1cc(-c2ccc(N3CC[NH2+]CC3)cc2)ccc1C[NH+]1CCCC1 ZINC001205599697 1370805427 /nfs/dbraw/zinc/80/54/27/1370805427.db2.gz DRRLRJGITBTVBH-UHFFFAOYSA-N 2 0 339.458 3.498 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205626844 1370816341 /nfs/dbraw/zinc/81/63/41/1370816341.db2.gz JTUHROFWWKDFEL-STQMWFEESA-N 2 0 346.393 3.401 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205629459 1370817330 /nfs/dbraw/zinc/81/73/30/1370817330.db2.gz YXUMXPSYMRRLFV-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC[C@H]1C[NH3+] ZINC001205652303 1370828149 /nfs/dbraw/zinc/82/81/49/1370828149.db2.gz PEEVLJJWVKNCJL-OLZOCXBDSA-N 2 0 333.863 3.401 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cn2)CC[C@H]1C[NH3+] ZINC001205653778 1370829969 /nfs/dbraw/zinc/82/99/69/1370829969.db2.gz VKUQMKLILQEIRA-MJGOQNOKSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205654197 1370830001 /nfs/dbraw/zinc/83/00/01/1370830001.db2.gz WRGHXXNJONKIGM-GOEBONIOSA-N 2 0 332.879 3.333 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001205671554 1370837689 /nfs/dbraw/zinc/83/76/89/1370837689.db2.gz CJCGYMIXUPAKDR-HXUWFJFHSA-N 2 0 328.431 3.168 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001205725825 1370853637 /nfs/dbraw/zinc/85/36/37/1370853637.db2.gz LQSZUFSCBJENNZ-QFIPXVFZSA-N 2 0 338.495 3.148 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001116208781 1370860947 /nfs/dbraw/zinc/86/09/47/1370860947.db2.gz HPWYRGNCGORQRP-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CN(C)c1ccc2cc(CN3CCC(F)(F)[C@H](C[NH3+])C3)ccc2c1 ZINC001205781412 1370867978 /nfs/dbraw/zinc/86/79/78/1370867978.db2.gz WXBPNIVFRRYCGK-QGZVFWFLSA-N 2 0 333.426 3.322 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2Oc2cnccn2)CCC[C@@H]1C[NH3+] ZINC001206027885 1370941810 /nfs/dbraw/zinc/94/18/10/1370941810.db2.gz XAWFDLHMMLFCSA-HZPDHXFCSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206026558 1370942480 /nfs/dbraw/zinc/94/24/80/1370942480.db2.gz SVAJFAIIGYQDKS-WCQYABFASA-N 2 0 332.366 3.098 20 0 EGADRP CN(CCC[N@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1)CC[NH+](C)C ZINC001206135226 1370968582 /nfs/dbraw/zinc/96/85/82/1370968582.db2.gz FXBISVVZKDDFBN-NHCUHLMSSA-N 2 0 331.548 3.312 20 0 EGADRP Cc1cc(N2CCN(C[C@@H]([NH3+])c3ccccc3)CC2)c2ccccc2[nH+]1 ZINC001206284901 1371012472 /nfs/dbraw/zinc/01/24/72/1371012472.db2.gz IXWDFVCGPRFBGC-HXUWFJFHSA-N 2 0 346.478 3.365 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001206296724 1371013917 /nfs/dbraw/zinc/01/39/17/1371013917.db2.gz UJMFIDAAOJQCKA-NRFANRHFSA-N 3 0 329.532 3.350 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001206292894 1371014316 /nfs/dbraw/zinc/01/43/16/1371014316.db2.gz FKVVGFRUYFEKKG-SFTDATJTSA-N 3 0 329.532 3.350 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206295792 1371014561 /nfs/dbraw/zinc/01/45/61/1371014561.db2.gz NTULIMLTDJRLAZ-FQEVSTJZSA-N 2 0 332.488 3.247 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305083 1371016833 /nfs/dbraw/zinc/01/68/33/1371016833.db2.gz SOTGVAJNCLHBII-NRFANRHFSA-N 2 0 340.515 3.499 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1OCC1CC1 ZINC001206311896 1371017934 /nfs/dbraw/zinc/01/79/34/1371017934.db2.gz WQJKJCJCGCUEIH-FQEVSTJZSA-N 2 0 332.488 3.435 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206327248 1371023799 /nfs/dbraw/zinc/02/37/99/1371023799.db2.gz UGIZKLZUKIUCBX-INIZCTEOSA-N 2 0 341.293 3.409 20 0 EGADRP COCCCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206589960 1371102279 /nfs/dbraw/zinc/10/22/79/1371102279.db2.gz JMCJUIJHELLPLZ-LJQANCHMSA-N 2 0 334.504 3.454 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC[C@@H](C)F)CC1 ZINC001206621896 1371111098 /nfs/dbraw/zinc/11/10/98/1371111098.db2.gz IUQHZEJVWPRHQP-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)n2)cc1 ZINC001206622919 1371111593 /nfs/dbraw/zinc/11/15/93/1371111593.db2.gz IVAVEXIZOBTHKG-MRXNPFEDSA-N 2 0 325.456 3.318 20 0 EGADRP CCOc1cc(CN2CCCC[C@H](C[NH3+])C2)ccc1Br ZINC001206639018 1371115148 /nfs/dbraw/zinc/11/51/48/1371115148.db2.gz ANNLISUWWQHWRG-CQSZACIVSA-N 2 0 341.293 3.409 20 0 EGADRP CCOc1cccc(CN2CCCC[C@@H](C[NH3+])C2)c1Br ZINC001206646387 1371118396 /nfs/dbraw/zinc/11/83/96/1371118396.db2.gz BHJMQIZVHPTXNM-ZDUSSCGKSA-N 2 0 341.293 3.409 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)c2c1 ZINC001206649545 1371119200 /nfs/dbraw/zinc/11/92/00/1371119200.db2.gz VSUOXTBNAPDCRT-HNNXBMFYSA-N 2 0 328.456 3.418 20 0 EGADRP COc1ncc(Cl)cc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749268 1371153090 /nfs/dbraw/zinc/15/30/90/1371153090.db2.gz BKFDJEMIGJURDU-UHFFFAOYSA-N 2 0 345.874 3.236 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(O)c3ncccc23)CC1 ZINC001206755096 1371154935 /nfs/dbraw/zinc/15/49/35/1371154935.db2.gz BEYMRPVIQDDGAH-UHFFFAOYSA-N 2 0 347.462 3.433 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(-c2ccccc2)on1 ZINC001206845710 1371187755 /nfs/dbraw/zinc/18/77/55/1371187755.db2.gz FEKFSVBMJDAMQI-UHFFFAOYSA-N 2 0 344.503 3.047 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001206872409 1371199379 /nfs/dbraw/zinc/19/93/79/1371199379.db2.gz CJDWIYYWKULOGL-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952522 1371244023 /nfs/dbraw/zinc/24/40/23/1371244023.db2.gz SGMKCJICCLAQOE-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001206954832 1371244770 /nfs/dbraw/zinc/24/47/70/1371244770.db2.gz ZQKCVBOOTMTSMS-MRXNPFEDSA-N 2 0 349.494 3.055 20 0 EGADRP O=c1[nH]cccc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001207005220 1371264076 /nfs/dbraw/zinc/26/40/76/1371264076.db2.gz YVZSNPDQGMWCJC-UHFFFAOYSA-N 2 0 343.496 3.337 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc[nH]c1=O)CC2 ZINC001207004616 1371264823 /nfs/dbraw/zinc/26/48/23/1371264823.db2.gz OUTBUKJMHWGKIJ-GOSISDBHSA-N 2 0 341.455 3.257 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC001326201910 1388126901 /nfs/dbraw/zinc/12/69/01/1388126901.db2.gz LQTWHLPHPIIPJO-VQTJNVASSA-N 2 0 338.499 3.299 20 0 EGADRP CN(C[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001207276081 1371347719 /nfs/dbraw/zinc/34/77/19/1371347719.db2.gz UCFHMNPRSJOZKN-INIZCTEOSA-N 2 0 341.540 3.153 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001207279120 1371348326 /nfs/dbraw/zinc/34/83/26/1371348326.db2.gz BVDKMXYQCUZXDW-CTNGQTDRSA-N 2 0 345.531 3.288 20 0 EGADRP OCC[C@H]1CC12CC[NH+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207286440 1371351074 /nfs/dbraw/zinc/35/10/74/1371351074.db2.gz JJKCBUBKFKVQPP-NRFANRHFSA-N 2 0 342.527 3.383 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC001207286745 1371351669 /nfs/dbraw/zinc/35/16/69/1371351669.db2.gz LNHKMZQQGXLKIY-NHCUHLMSSA-N 2 0 328.500 3.400 20 0 EGADRP Cc1cc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c2ccccc2[nH+]1 ZINC001207392049 1371383174 /nfs/dbraw/zinc/38/31/74/1371383174.db2.gz VGQNKGQPRPOHAH-UHFFFAOYSA-N 3 0 338.499 3.007 20 0 EGADRP c1ccc(-c2cccc(N3CC[NH+](CC4CC[NH2+]CC4)CC3)c2)cc1 ZINC001207440927 1371396598 /nfs/dbraw/zinc/39/65/98/1371396598.db2.gz MRDPHNZFSSKLDJ-UHFFFAOYSA-N 2 0 335.495 3.475 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479948 1371408680 /nfs/dbraw/zinc/40/86/80/1371408680.db2.gz QKBRXGPAKWYMLR-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CC[NH+](C)CC2)O1 ZINC001207482279 1371409288 /nfs/dbraw/zinc/40/92/88/1371409288.db2.gz APJDIHTXMNTGMN-VAMGGRTRSA-N 2 0 338.536 3.013 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001207486776 1371410468 /nfs/dbraw/zinc/41/04/68/1371410468.db2.gz MZYHHXYSSYPVBJ-IYBDPMFKSA-N 2 0 339.524 3.048 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486894 1371411306 /nfs/dbraw/zinc/41/13/06/1371411306.db2.gz OSYMWJUHCYFJHZ-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540908 1371430601 /nfs/dbraw/zinc/43/06/01/1371430601.db2.gz KXABMXYXPZVSEL-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001120005657 1371452015 /nfs/dbraw/zinc/45/20/15/1371452015.db2.gz UJKYZIDJTWOXOL-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCCCC1 ZINC001120045689 1371467506 /nfs/dbraw/zinc/46/75/06/1371467506.db2.gz DZYLIAVFKNBITF-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CCCCC2)C1 ZINC001120128976 1371491077 /nfs/dbraw/zinc/49/10/77/1371491077.db2.gz CBLBTVKFAZSSGM-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3CCCCCC3)CCCCC2)C1 ZINC001120129587 1371492356 /nfs/dbraw/zinc/49/23/56/1371492356.db2.gz KCHMWPINGJTHEI-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]CCCF)CCCCC1 ZINC001120159024 1371496822 /nfs/dbraw/zinc/49/68/22/1371496822.db2.gz IYOLFBAHGUNIAT-UHFFFAOYSA-N 2 0 341.515 3.021 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120190141 1371503178 /nfs/dbraw/zinc/50/31/78/1371503178.db2.gz SQWMISNILKABFK-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCCCC1 ZINC001120207739 1371504316 /nfs/dbraw/zinc/50/43/16/1371504316.db2.gz CQNSNGWFGFBVGA-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001120208052 1371505466 /nfs/dbraw/zinc/50/54/66/1371505466.db2.gz SGWPSPBCBFKZNO-ACBHZAAOSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423040 1371570787 /nfs/dbraw/zinc/57/07/87/1371570787.db2.gz RBPLNIQSYSSOPR-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439745 1371577102 /nfs/dbraw/zinc/57/71/02/1371577102.db2.gz IQVWVOFSERZNMI-ILWWCXPUSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208107804 1371596283 /nfs/dbraw/zinc/59/62/83/1371596283.db2.gz KPDCEKAJWAZRRB-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP CN1CCC([N@H+](Cc2ccc(F)cc2)CC2(C)CC[NH+](C)CC2)CC1 ZINC001208116653 1371601410 /nfs/dbraw/zinc/60/14/10/1371601410.db2.gz ZNXJJBBOTWIDSR-UHFFFAOYSA-N 2 0 347.522 3.454 20 0 EGADRP C[NH+](C)CC1(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)CCCC1 ZINC001208185458 1371626017 /nfs/dbraw/zinc/62/60/17/1371626017.db2.gz NHZYQUYRCDQBTE-HDICACEKSA-N 2 0 347.572 3.234 20 0 EGADRP CCOC(=O)C1(C(C)C)CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208187412 1371626810 /nfs/dbraw/zinc/62/68/10/1371626810.db2.gz KEPIHNZIXGPYGT-UHFFFAOYSA-N 2 0 338.536 3.410 20 0 EGADRP CC/C=C\CCCCC[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001208190612 1371630434 /nfs/dbraw/zinc/63/04/34/1371630434.db2.gz LBYRIOQQJDPZNI-TZFVZSICSA-N 2 0 338.536 3.182 20 0 EGADRP C[NH+](C)CC1(CN2CCC[N@H+](Cc3ccccc3)CC2)CCCC1 ZINC001208190977 1371630867 /nfs/dbraw/zinc/63/08/67/1371630867.db2.gz ILEPUGABSGWJEG-UHFFFAOYSA-N 2 0 329.532 3.316 20 0 EGADRP COC(C)(C)CCC[C@@H](C)CCN(CC[NH+](C)C)CC[NH+](C)C ZINC001208206836 1371648061 /nfs/dbraw/zinc/64/80/61/1371648061.db2.gz TWDAVFQVMFFGQS-GOSISDBHSA-N 2 0 329.573 3.033 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331876 1371721716 /nfs/dbraw/zinc/72/17/16/1371721716.db2.gz XUOGBEBGNGIURI-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208335616 1371723457 /nfs/dbraw/zinc/72/34/57/1371723457.db2.gz WSENQUVJRUIPPZ-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)cc1 ZINC001208447125 1371768763 /nfs/dbraw/zinc/76/87/63/1371768763.db2.gz ILRFUDFOBHIXTB-IBGZPJMESA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001208448031 1371769442 /nfs/dbraw/zinc/76/94/42/1371769442.db2.gz UCDMQDNJSIYXDP-CVEARBPZSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)[N@H+](C)[C@@H]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590037 1371832034 /nfs/dbraw/zinc/83/20/34/1371832034.db2.gz BPEZWZVZDTZJBE-RTWAWAEBSA-N 2 0 329.532 3.456 20 0 EGADRP C[N@H+](Cc1cccc(F)c1)C1CCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208615096 1371841461 /nfs/dbraw/zinc/84/14/61/1371841461.db2.gz GKAKRWCQZLXTOH-SFHVURJKSA-N 2 0 333.495 3.064 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121103274 1371854876 /nfs/dbraw/zinc/85/48/76/1371854876.db2.gz UBNVVLSSMYSSJK-IKQKDXEZSA-N 2 0 349.563 3.312 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001121112230 1371856498 /nfs/dbraw/zinc/85/64/98/1371856498.db2.gz OTGXXRXNFCUUHQ-GUYFDXGHSA-N 2 0 349.563 3.314 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CCC1CC1)CC2 ZINC001208680854 1371859418 /nfs/dbraw/zinc/85/94/18/1371859418.db2.gz ITLZSVMPOQRDFY-KRWDZBQOSA-N 2 0 349.544 3.246 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001208757470 1371885608 /nfs/dbraw/zinc/88/56/08/1371885608.db2.gz DXAXOZDWOBDTDN-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP COC(=O)[C@@]1(C)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939975 1371953713 /nfs/dbraw/zinc/95/37/13/1371953713.db2.gz MUJYCCOFZXEDCG-FPOVZHCZSA-N 2 0 344.499 3.174 20 0 EGADRP COC(=O)[C@]1(C)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939977 1371955294 /nfs/dbraw/zinc/95/52/94/1371955294.db2.gz MUJYCCOFZXEDCG-TZIWHRDSSA-N 2 0 344.499 3.174 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001208940774 1371956291 /nfs/dbraw/zinc/95/62/91/1371956291.db2.gz GOOAHXBBXFSJPZ-HSZRJFAPSA-N 2 0 349.522 3.326 20 0 EGADRP C[N@H+](C1CC1)[C@H]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208942899 1371956788 /nfs/dbraw/zinc/95/67/88/1371956788.db2.gz JXMWGCLBYVHEIJ-FPOVZHCZSA-N 2 0 327.516 3.067 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942982 1371957492 /nfs/dbraw/zinc/95/74/92/1371957492.db2.gz KONPKYDKMQBROS-VSKRKVRLSA-N 2 0 341.543 3.172 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CCC([NH+]4CCC4)CC3)C2)cc1 ZINC001208945816 1371959489 /nfs/dbraw/zinc/95/94/89/1371959489.db2.gz DSOQRGVYZWLARO-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CCCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950290 1371960325 /nfs/dbraw/zinc/96/03/25/1371960325.db2.gz RLBKPFFSURCFOV-YADHBBJMSA-N 2 0 341.543 3.459 20 0 EGADRP C[N@@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208949639 1371960546 /nfs/dbraw/zinc/96/05/46/1371960546.db2.gz MNFCFMYZJAKXSL-JTHBVZDNSA-N 2 0 349.522 3.497 20 0 EGADRP CCOC(=O)[C@H]1CCCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208953648 1371961299 /nfs/dbraw/zinc/96/12/99/1371961299.db2.gz RFHFQGJBPTUCOB-PMACEKPBSA-N 2 0 344.499 3.174 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](C[C@H]3CCCN(C(C)=O)C3)CC2)CC1 ZINC001208977870 1371966879 /nfs/dbraw/zinc/96/68/79/1371966879.db2.gz WOCNPROWAINCSV-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC001209186383 1372030744 /nfs/dbraw/zinc/03/07/44/1372030744.db2.gz XXRASHPJLOCDPE-SZPZYZBQSA-N 2 0 335.495 3.386 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209206186 1372038784 /nfs/dbraw/zinc/03/87/84/1372038784.db2.gz YUTDQOKCTMQIJO-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001121663592 1372039628 /nfs/dbraw/zinc/03/96/28/1372039628.db2.gz OVRJULNSUIFCON-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC1CCC(C[NH2+]C2CC3(CC(NC(=O)CCC[NH+](C)C)C3)C2)CC1 ZINC001121663930 1372039686 /nfs/dbraw/zinc/03/96/86/1372039686.db2.gz UODXGOPAXJTZDE-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC001209322381 1372069296 /nfs/dbraw/zinc/06/92/96/1372069296.db2.gz JKJWJNWAROQQHU-UHFFFAOYSA-N 2 0 343.559 3.141 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121791298 1372082196 /nfs/dbraw/zinc/08/21/96/1372082196.db2.gz KSNKRWULZWKWEQ-BQYQJAHWSA-N 2 0 349.563 3.338 20 0 EGADRP COc1cccc(O[C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)c1 ZINC001209448607 1372108595 /nfs/dbraw/zinc/10/85/95/1372108595.db2.gz FNLDWBGAVFTENR-HXUWFJFHSA-N 2 0 332.488 3.414 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2)C(C)C ZINC001121924024 1372124338 /nfs/dbraw/zinc/12/43/38/1372124338.db2.gz MOSNPYKQVCVQIR-WZXTXQKWSA-N 2 0 337.552 3.026 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+](CC)CC ZINC001209613614 1372150701 /nfs/dbraw/zinc/15/07/01/1372150701.db2.gz KFRMFMRVDGKOHK-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209612069 1372150742 /nfs/dbraw/zinc/15/07/42/1372150742.db2.gz BDFPHKCBPIGWNL-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209613087 1372151083 /nfs/dbraw/zinc/15/10/83/1372151083.db2.gz GQCVFPIFKIILRG-ONNQBUSKSA-N 2 0 337.552 3.434 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001209614724 1372151461 /nfs/dbraw/zinc/15/14/61/1372151461.db2.gz PZRKUOFNNPRKDG-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001209642178 1372159815 /nfs/dbraw/zinc/15/98/15/1372159815.db2.gz CITUJQMHYZNDSA-WSTZPKSXSA-N 2 0 345.531 3.143 20 0 EGADRP Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001209659223 1372163672 /nfs/dbraw/zinc/16/36/72/1372163672.db2.gz ABJAHCGQPKKKKZ-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001209691863 1372171305 /nfs/dbraw/zinc/17/13/05/1372171305.db2.gz ZFXMCGBNLKNTLF-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209691391 1372171853 /nfs/dbraw/zinc/17/18/53/1372171853.db2.gz VGVICTUPQWSSKC-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209939794 1372237890 /nfs/dbraw/zinc/23/78/90/1372237890.db2.gz ICXYFTWSLSSTEQ-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209941204 1372237967 /nfs/dbraw/zinc/23/79/67/1372237967.db2.gz TXOFPIUHHKQYPY-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP COc1cc(Nc2c[nH+]c(N)cc2C)ccc1OCC[NH+]1CCCC1 ZINC001209972627 1372245316 /nfs/dbraw/zinc/24/53/16/1372245316.db2.gz NPQOQAGIMHGLHH-UHFFFAOYSA-N 2 0 342.443 3.199 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210178884 1372288809 /nfs/dbraw/zinc/28/88/09/1372288809.db2.gz DQBUATLGKBTRRE-IBAHQSOCSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210229167 1372300208 /nfs/dbraw/zinc/30/02/08/1372300208.db2.gz MOYGIFCCDASEBS-ZTVSIKPCSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)OCc1cccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210265391 1372309336 /nfs/dbraw/zinc/30/93/36/1372309336.db2.gz CNLFFNCDZQXRKW-UHFFFAOYSA-N 2 0 326.444 3.160 20 0 EGADRP Cc1cc(OC(F)F)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210269406 1372310865 /nfs/dbraw/zinc/31/08/65/1372310865.db2.gz UKIMLUREWAQQRM-UHFFFAOYSA-N 2 0 334.370 3.145 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001210485397 1372364840 /nfs/dbraw/zinc/36/48/40/1372364840.db2.gz JIWZVOSZPUGWNP-QWFCFKBJSA-N 2 0 345.531 3.224 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1F ZINC001210743233 1372417614 /nfs/dbraw/zinc/41/76/14/1372417614.db2.gz HGIBAUFZTQNHME-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001210796797 1372427875 /nfs/dbraw/zinc/42/78/75/1372427875.db2.gz KJCNAJZEXGXVJM-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001211241339 1372510039 /nfs/dbraw/zinc/51/00/39/1372510039.db2.gz SNYINHHFOIAUNR-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001211257586 1372514045 /nfs/dbraw/zinc/51/40/45/1372514045.db2.gz UASWCXUWTSBIKM-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106348 1388243317 /nfs/dbraw/zinc/24/33/17/1388243317.db2.gz GOCRZMAZDMYBAC-RTBURBONSA-N 2 0 343.515 3.123 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214852820 1373130268 /nfs/dbraw/zinc/13/02/68/1373130268.db2.gz KFCCYIOVKSSEPI-BHIYHBOVSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215069487 1373164557 /nfs/dbraw/zinc/16/45/57/1373164557.db2.gz QPOUQXUJGJHCIX-GPMSIDNRSA-N 2 0 342.487 3.067 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583335 1388247932 /nfs/dbraw/zinc/24/79/32/1388247932.db2.gz GZUGATZKRZMZTN-AWEZNQCLSA-N 2 0 335.879 3.133 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567670 1373213321 /nfs/dbraw/zinc/21/33/21/1373213321.db2.gz DBQKKHYJSWHAKD-KZNAEPCWSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773913 1373236649 /nfs/dbraw/zinc/23/66/49/1373236649.db2.gz CWTGZPIVJJMSIA-GUDVDZBRSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001215778176 1373237256 /nfs/dbraw/zinc/23/72/56/1373237256.db2.gz CRWBMVJUNZLKKG-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC001215973030 1373252881 /nfs/dbraw/zinc/25/28/81/1373252881.db2.gz MDWKYBJLVFWVAV-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc(Cl)c1O ZINC001216087094 1373261329 /nfs/dbraw/zinc/26/13/29/1373261329.db2.gz NZLRNSSSKLGRIP-UHFFFAOYSA-N 2 0 332.835 3.244 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001216323840 1373300309 /nfs/dbraw/zinc/30/03/09/1373300309.db2.gz LQJDRVCXLBVVGA-QRVBRYPASA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001216502525 1373312505 /nfs/dbraw/zinc/31/25/05/1373312505.db2.gz FWTBHXQZQACLIO-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP Cc1cccc(-c2noc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)n2)n1 ZINC001217044656 1373381812 /nfs/dbraw/zinc/38/18/12/1373381812.db2.gz QLLAPJVYTQJNCN-UHFFFAOYSA-N 2 0 349.438 3.030 20 0 EGADRP Cc1ccnc(-c2noc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)n2)c1 ZINC001217043974 1373382199 /nfs/dbraw/zinc/38/21/99/1373382199.db2.gz FEUDMRVALFKKSW-UHFFFAOYSA-N 2 0 349.438 3.030 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCC[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC001217931241 1373513985 /nfs/dbraw/zinc/51/39/85/1373513985.db2.gz STKKEPOUABILRN-PMXSJFBMSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217939107 1373514351 /nfs/dbraw/zinc/51/43/51/1373514351.db2.gz KZMWNJBFKMGSMZ-JTSKRJEESA-N 2 0 336.479 3.369 20 0 EGADRP F[C@H]1C[NH2+]CC[C@@H]1Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001218066472 1373551895 /nfs/dbraw/zinc/55/18/95/1373551895.db2.gz LKJLNHJWSRVFHN-ROUUACIJSA-N 2 0 343.446 3.300 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001130622418 1373570915 /nfs/dbraw/zinc/57/09/15/1373570915.db2.gz HQABINHQJMTDAM-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001130622541 1373571869 /nfs/dbraw/zinc/57/18/69/1373571869.db2.gz OBMVYBKLZGYAFG-IBGZPJMESA-N 2 0 343.515 3.033 20 0 EGADRP c1ccc2c(c1)ccc(OC[C@H]1C[NH2+]CCO1)c2C[NH+]1CCCCC1 ZINC001218179596 1373573238 /nfs/dbraw/zinc/57/32/38/1373573238.db2.gz ZLGWBXVTMVZHDU-GOSISDBHSA-N 2 0 340.467 3.193 20 0 EGADRP c1cnc2c(O[C@H]3CCC34C[NH2+]C4)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218240729 1373581682 /nfs/dbraw/zinc/58/16/82/1373581682.db2.gz OTNQYUDYVVKEIE-IBGZPJMESA-N 2 0 337.467 3.352 20 0 EGADRP [NH3+]CCc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218410757 1373609518 /nfs/dbraw/zinc/60/95/18/1373609518.db2.gz MOBSNSDOGSDXDT-GOSISDBHSA-N 2 0 330.859 3.495 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001131845167 1373834041 /nfs/dbraw/zinc/83/40/41/1373834041.db2.gz SSCAABXJESHGJI-SFHVURJKSA-N 2 0 345.531 3.335 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CCc3c[nH]cn3)CCC2)C1 ZINC001326835195 1388325478 /nfs/dbraw/zinc/32/54/78/1388325478.db2.gz SAHDQWWGNSBOHZ-DLBZAZTESA-N 2 0 346.519 3.187 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001224746367 1375074402 /nfs/dbraw/zinc/07/44/02/1375074402.db2.gz APQZZUDVHCYKRX-ACRUOGEOSA-N 2 0 328.500 3.400 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224795473 1375077212 /nfs/dbraw/zinc/07/72/12/1375077212.db2.gz IKFCVKXDQVUDBO-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225465434 1375113438 /nfs/dbraw/zinc/11/34/38/1375113438.db2.gz UOLZRJLDHIRHPZ-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CCC(CC)C[NH+]1CCC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001225542317 1375122525 /nfs/dbraw/zinc/12/25/25/1375122525.db2.gz KHRXAOKDFUFZEA-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225556936 1375123740 /nfs/dbraw/zinc/12/37/40/1375123740.db2.gz AXXRNQQTLAKFHU-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC1CCCC1 ZINC001132105937 1375151097 /nfs/dbraw/zinc/15/10/97/1375151097.db2.gz OPVKGRFTCVHZCU-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CCCCC1 ZINC001132110667 1375153217 /nfs/dbraw/zinc/15/32/17/1375153217.db2.gz KUZPXCGMMYITPI-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132128166 1375159594 /nfs/dbraw/zinc/15/95/94/1375159594.db2.gz JNCDQCPSOHFFSZ-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCCC(C)(C)C ZINC001132149095 1375170927 /nfs/dbraw/zinc/17/09/27/1375170927.db2.gz FWDHDMDOXCRPPM-MSOLQXFVSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132154062 1375173919 /nfs/dbraw/zinc/17/39/19/1375173919.db2.gz WONXLYPNCPXWMZ-IEBWSBKVSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CC1CC1 ZINC001132206639 1375208992 /nfs/dbraw/zinc/20/89/92/1375208992.db2.gz MLKXXCWUUBUCLT-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214233 1375213479 /nfs/dbraw/zinc/21/34/79/1375213479.db2.gz DVSXUNCXIGUWSU-ROUUACIJSA-N 2 0 337.552 3.410 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001226162269 1375214072 /nfs/dbraw/zinc/21/40/72/1375214072.db2.gz YRSVUCXZOYHDAA-QRVBRYPASA-N 2 0 337.552 3.312 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226334388 1375242003 /nfs/dbraw/zinc/24/20/03/1375242003.db2.gz SWWFHOZXFHDHSI-CYKMHDRDSA-N 2 0 335.536 3.090 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265213 1375253892 /nfs/dbraw/zinc/25/38/92/1375253892.db2.gz JQCHMUXUMYVEAM-HNGSOEQISA-N 2 0 335.536 3.044 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c(C)c1 ZINC001132269521 1375257501 /nfs/dbraw/zinc/25/75/01/1375257501.db2.gz LGVNXBCCTCLWOG-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCC1CCCCCC1 ZINC001132277082 1375261643 /nfs/dbraw/zinc/26/16/43/1375261643.db2.gz AQIPEPXTDPXVIC-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H](Oc2ccc3c(n2)CCN(Cc2ccccc2)C3)C1 ZINC001226743081 1375322143 /nfs/dbraw/zinc/32/21/43/1375322143.db2.gz MXAOZZXAOYGMFO-IBGZPJMESA-N 2 0 337.467 3.113 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001226765485 1375329124 /nfs/dbraw/zinc/32/91/24/1375329124.db2.gz DDSSRHSCICCRHR-GUDVDZBRSA-N 2 0 337.552 3.312 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132367765 1375333071 /nfs/dbraw/zinc/33/30/71/1375333071.db2.gz FUNAURNHIYDCBI-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132381004 1375339940 /nfs/dbraw/zinc/33/99/40/1375339940.db2.gz SXRYSSDXAPQYPV-OBNUAKFSSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001226889840 1375352738 /nfs/dbraw/zinc/35/27/38/1375352738.db2.gz CWXAFJRPYKAYDD-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP c1ccc(N2CCCC2)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC001327074614 1388373063 /nfs/dbraw/zinc/37/30/63/1388373063.db2.gz QRBDXIPFLVLMHD-IBGZPJMESA-N 2 0 327.516 3.498 20 0 EGADRP Cc1ccccc1C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434011 1375377954 /nfs/dbraw/zinc/37/79/54/1375377954.db2.gz SOPAIXWDUPMWAD-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1cccc(F)c1 ZINC001132434479 1375378389 /nfs/dbraw/zinc/37/83/89/1375378389.db2.gz XJJJJRMPMNSVGP-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132435085 1375380226 /nfs/dbraw/zinc/38/02/26/1375380226.db2.gz AXGUCSWTYIVSKI-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132436381 1375381175 /nfs/dbraw/zinc/38/11/75/1375381175.db2.gz LCAFGVGNXKYMMJ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132436096 1375381501 /nfs/dbraw/zinc/38/15/01/1375381501.db2.gz IQQLGVVWYLABRK-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132437155 1375382144 /nfs/dbraw/zinc/38/21/44/1375382144.db2.gz QWPAVOUAQDHMIR-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132440447 1375383097 /nfs/dbraw/zinc/38/30/97/1375383097.db2.gz AMWKHYLBOXMBFG-MOPGFXCFSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132442230 1375386134 /nfs/dbraw/zinc/38/61/34/1375386134.db2.gz XMNAYMFBUAZRTD-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132442038 1375386853 /nfs/dbraw/zinc/38/68/53/1375386853.db2.gz VWPHVFJFRZVWDA-PKOBYXMFSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132442348 1375387143 /nfs/dbraw/zinc/38/71/43/1375387143.db2.gz ZXJGRENRQDKPML-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001227150644 1375397976 /nfs/dbraw/zinc/39/79/76/1375397976.db2.gz XDQGHSRZCCMRGZ-QZTJIDSGSA-N 2 0 349.494 3.073 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227483540 1375436409 /nfs/dbraw/zinc/43/64/09/1375436409.db2.gz PRTPDGSNGSPJSN-DUFJLWIISA-N 2 0 340.471 3.321 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227483821 1375436568 /nfs/dbraw/zinc/43/65/68/1375436568.db2.gz VIQATJZEXVOMEM-RTBURBONSA-N 2 0 342.487 3.401 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519476 1375437324 /nfs/dbraw/zinc/43/73/24/1375437324.db2.gz ZLWQBGZMWRKQDA-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCC(C)(C)C ZINC001132518950 1375437545 /nfs/dbraw/zinc/43/75/45/1375437545.db2.gz QLWOALSKIGSMSF-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCCC1CCC1 ZINC001132525756 1375441609 /nfs/dbraw/zinc/44/16/09/1375441609.db2.gz VBBOMWBROLJFHI-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227792035 1375474773 /nfs/dbraw/zinc/47/47/73/1375474773.db2.gz JSYIVQWDRWUUDH-IBGZPJMESA-N 2 0 335.536 3.164 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227792779 1375475436 /nfs/dbraw/zinc/47/54/36/1375475436.db2.gz VPLLKXPAHNPNJY-SFFCAUCYSA-N 2 0 335.536 3.186 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227876775 1375485590 /nfs/dbraw/zinc/48/55/90/1375485590.db2.gz KOHSTBFLDTVNOO-VOFKWLDRSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001228039860 1375508432 /nfs/dbraw/zinc/50/84/32/1375508432.db2.gz QDWBYGGCWHQLLE-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)c1 ZINC001228270524 1375538872 /nfs/dbraw/zinc/53/88/72/1375538872.db2.gz UHKGISNKJUELSV-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001228444613 1375573961 /nfs/dbraw/zinc/57/39/61/1375573961.db2.gz GAPVUZUYERGKTL-VAMGGRTRSA-N 2 0 349.563 3.480 20 0 EGADRP C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001132825343 1375585394 /nfs/dbraw/zinc/58/53/94/1375585394.db2.gz YEGBOUOKFGWMBN-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132938620 1375657948 /nfs/dbraw/zinc/65/79/48/1375657948.db2.gz WODKGNKVJQGUIB-AEFFLSMTSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001132938668 1375659335 /nfs/dbraw/zinc/65/93/35/1375659335.db2.gz XXLYDPCQQMQPTG-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950280 1375666830 /nfs/dbraw/zinc/66/68/30/1375666830.db2.gz LIGXMEJUSIFNLZ-OALUTQOASA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001133011122 1375710274 /nfs/dbraw/zinc/71/02/74/1375710274.db2.gz FPGLVNSVVLUMMT-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051937 1375743049 /nfs/dbraw/zinc/74/30/49/1375743049.db2.gz VVPDSCDBPJWAFM-UHFFFAOYSA-N 2 0 347.547 3.149 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001133051501 1375743088 /nfs/dbraw/zinc/74/30/88/1375743088.db2.gz HISIQAJYEZZTOE-MRXNPFEDSA-N 2 0 333.520 3.093 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001229200279 1375786117 /nfs/dbraw/zinc/78/61/17/1375786117.db2.gz NZEIOMAOSWTCPE-SREVYHEPSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@H+](CC(=O)NC1CC[NH+](CCCC2CCC2)CC1)CC(C)(C)C ZINC001229215103 1375789358 /nfs/dbraw/zinc/78/93/58/1375789358.db2.gz MYSZLMMNROWTDX-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001133237850 1375859786 /nfs/dbraw/zinc/85/97/86/1375859786.db2.gz KINQAOXWQSGEIU-OALUTQOASA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229615495 1375865246 /nfs/dbraw/zinc/86/52/46/1375865246.db2.gz MIDHRTUTFOQOCD-WOJBJXKFSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133250555 1375870068 /nfs/dbraw/zinc/87/00/68/1375870068.db2.gz YKFKORKTPHQPQS-SJORKVTESA-N 2 0 346.519 3.026 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001229646131 1375871023 /nfs/dbraw/zinc/87/10/23/1375871023.db2.gz XWTAXWHZYHENIH-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC001229852495 1375904663 /nfs/dbraw/zinc/90/46/63/1375904663.db2.gz KCJVPDKVPYFMPZ-GUDVDZBRSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001133334441 1375929628 /nfs/dbraw/zinc/92/96/28/1375929628.db2.gz XJKQXXBSRRUVSC-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001230107467 1375943445 /nfs/dbraw/zinc/94/34/45/1375943445.db2.gz GOUNMUIERXFVFO-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133360772 1375944719 /nfs/dbraw/zinc/94/47/19/1375944719.db2.gz OGTMARIJIIQISB-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001230257636 1375978941 /nfs/dbraw/zinc/97/89/41/1375978941.db2.gz ZAWKCCLVTGLNFN-WOJBJXKFSA-N 2 0 343.515 3.080 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001230284805 1375985167 /nfs/dbraw/zinc/98/51/67/1375985167.db2.gz VTUJRDLCRWASHR-XUVXKRRUSA-N 2 0 343.515 3.031 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001133434650 1376004139 /nfs/dbraw/zinc/00/41/39/1376004139.db2.gz XDQNKRGIJSQYBY-OXQOHEQNSA-N 2 0 341.499 3.193 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001230354681 1376006688 /nfs/dbraw/zinc/00/66/88/1376006688.db2.gz HFCZNEJNRXLQOC-UHFFFAOYSA-N 2 0 347.547 3.334 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001133823600 1376219385 /nfs/dbraw/zinc/21/93/85/1376219385.db2.gz KIMZPQBBRXPPCM-SJORKVTESA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)Oc1ncccc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001231759158 1376318798 /nfs/dbraw/zinc/31/87/98/1376318798.db2.gz JPYKTOHEAVWDAB-UHFFFAOYSA-N 2 0 331.504 3.423 20 0 EGADRP CC(C)C[NH2+]CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001327195379 1388436768 /nfs/dbraw/zinc/43/67/68/1388436768.db2.gz CNGBCUVMEXJIAF-KRWDZBQOSA-N 2 0 331.504 3.012 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]([NH3+])C2CCCCC2)cc1 ZINC001327195945 1388436855 /nfs/dbraw/zinc/43/68/55/1388436855.db2.gz JPOXQQJOXUAPLJ-IBGZPJMESA-N 2 0 347.503 3.253 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)CC[C@H]1F ZINC001232015945 1376384087 /nfs/dbraw/zinc/38/40/87/1376384087.db2.gz OSXVYTFYRVRICW-ZBFHGGJFSA-N 2 0 348.422 3.000 20 0 EGADRP CN(CCC[NH+](C)C)Cc1ccc2cc(Br)ccc2n1 ZINC001232100310 1376399717 /nfs/dbraw/zinc/39/97/17/1376399717.db2.gz MUURIZYOINJXNA-UHFFFAOYSA-N 2 0 336.277 3.381 20 0 EGADRP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC001232177647 1376414085 /nfs/dbraw/zinc/41/40/85/1376414085.db2.gz YIRALBKYTLEPBZ-UHFFFAOYSA-N 2 0 338.293 3.070 20 0 EGADRP Nc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232369919 1376451446 /nfs/dbraw/zinc/45/14/46/1376451446.db2.gz GDHCQIAMDMTASF-UXHICEINSA-N 2 0 336.483 3.008 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc2ccsc2c1 ZINC001232613397 1376488752 /nfs/dbraw/zinc/48/87/52/1376488752.db2.gz OBVZHCPHYAMCGP-ZWKOTPCHSA-N 2 0 329.513 3.112 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134368921 1376496473 /nfs/dbraw/zinc/49/64/73/1376496473.db2.gz CGIYEMWRQXQBCY-YQJUVHNHSA-N 2 0 337.552 3.480 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369745 1376497824 /nfs/dbraw/zinc/49/78/24/1376497824.db2.gz RNGOKNPDMQHLDE-SJORKVTESA-N 2 0 325.541 3.314 20 0 EGADRP COc1cc(O)cc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001232805111 1376518514 /nfs/dbraw/zinc/51/85/14/1376518514.db2.gz UQYFKBTTYXWPFA-GOSISDBHSA-N 2 0 340.467 3.355 20 0 EGADRP Cc1c[nH]c(=O)c(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1 ZINC001233191196 1376582831 /nfs/dbraw/zinc/58/28/31/1376582831.db2.gz NPUMLQLIXADONF-UHFFFAOYSA-N 2 0 348.450 3.274 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C\c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584436 1376608798 /nfs/dbraw/zinc/60/87/98/1376608798.db2.gz UQRVNDQPOWKHJF-JIMNIMLASA-N 2 0 343.515 3.057 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607874 1376622356 /nfs/dbraw/zinc/62/23/56/1376622356.db2.gz MZAYFQITROKOGW-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612367 1376624120 /nfs/dbraw/zinc/62/41/20/1376624120.db2.gz LREWMWBJVQSKIR-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001134612170 1376624737 /nfs/dbraw/zinc/62/47/37/1376624737.db2.gz IUVZKEOBVBGJRW-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001134759556 1376704300 /nfs/dbraw/zinc/70/43/00/1376704300.db2.gz SPZULIDJYZCMHL-MOPGFXCFSA-N 2 0 345.531 3.335 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134762791 1376707256 /nfs/dbraw/zinc/70/72/56/1376707256.db2.gz GTLBCYDATKYUNL-MJGOQNOKSA-N 2 0 331.504 3.025 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001134773950 1376713136 /nfs/dbraw/zinc/71/31/36/1376713136.db2.gz SENNOOMWRZCSPQ-HOTGVXAUSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001134773949 1376713165 /nfs/dbraw/zinc/71/31/65/1376713165.db2.gz SENNOOMWRZCSPQ-CVEARBPZSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001134773178 1376713264 /nfs/dbraw/zinc/71/32/64/1376713264.db2.gz NAJHSLXDYPIKMH-IAGOWNOFSA-N 2 0 333.520 3.098 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892617 1376771572 /nfs/dbraw/zinc/77/15/72/1376771572.db2.gz NTTNTRBVQZXLST-HOTGVXAUSA-N 2 0 330.476 3.401 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134998721 1376834823 /nfs/dbraw/zinc/83/48/23/1376834823.db2.gz LLIYGCIJHAIMPD-HZPDHXFCSA-N 2 0 342.487 3.401 20 0 EGADRP Clc1cc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2cn1 ZINC001235430268 1376871491 /nfs/dbraw/zinc/87/14/91/1376871491.db2.gz WJRRUWDYPHQMDN-UONOGXRCSA-N 2 0 332.879 3.428 20 0 EGADRP CCOc1nccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430564 1376871682 /nfs/dbraw/zinc/87/16/82/1376871682.db2.gz IGTDYRUFNJILHN-GJZGRUSLSA-N 2 0 337.895 3.345 20 0 EGADRP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430150 1376872678 /nfs/dbraw/zinc/87/26/78/1376872678.db2.gz FZXQVTNSNBQDJW-DLBZAZTESA-N 2 0 332.488 3.306 20 0 EGADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(CC[C@@H]2CCCC[NH2+]2)C3)c1 ZINC001235630275 1376878563 /nfs/dbraw/zinc/87/85/63/1376878563.db2.gz XLMOQCVKUUHOEH-LEWJYISDSA-N 2 0 345.506 3.398 20 0 EGADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(CC[C@H]2CCCC[NH2+]2)C3)c1 ZINC001235630276 1376878867 /nfs/dbraw/zinc/87/88/67/1376878867.db2.gz XLMOQCVKUUHOEH-NHCUHLMSSA-N 2 0 345.506 3.398 20 0 EGADRP c1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001235665501 1376882780 /nfs/dbraw/zinc/88/27/80/1376882780.db2.gz OENPTYMWFNYGLF-HXUWFJFHSA-N 2 0 335.495 3.476 20 0 EGADRP Cc1c2ccccc2sc1C[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001235814278 1376897249 /nfs/dbraw/zinc/89/72/49/1376897249.db2.gz AYOLLWWUBDYDJF-UHFFFAOYSA-N 2 0 343.540 3.469 20 0 EGADRP CNc1ncc(C[N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)s1 ZINC001236229047 1376943349 /nfs/dbraw/zinc/94/33/49/1376943349.db2.gz WKTZOIOIWJUZKC-UHFFFAOYSA-N 2 0 330.501 3.457 20 0 EGADRP C[NH+]1CCC(CCN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236388929 1376951981 /nfs/dbraw/zinc/95/19/81/1376951981.db2.gz RBPVUJUJIJAZHY-HXUWFJFHSA-N 2 0 333.495 3.112 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180464 1376952996 /nfs/dbraw/zinc/95/29/96/1376952996.db2.gz HUJIOCPBVPVOFW-HOTGVXAUSA-N 2 0 349.494 3.073 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180466 1376953782 /nfs/dbraw/zinc/95/37/82/1376953782.db2.gz HUJIOCPBVPVOFW-JKSUJKDBSA-N 2 0 349.494 3.073 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC/C=C\c1ccccc1 ZINC001135315147 1377033780 /nfs/dbraw/zinc/03/37/80/1377033780.db2.gz MQZSXYWVJAGOPV-BPMSSMTMSA-N 2 0 345.531 3.305 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135317083 1377034539 /nfs/dbraw/zinc/03/45/39/1377034539.db2.gz WSVKFXGMZIIXMZ-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP Cc1ccccc1CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135317085 1377034638 /nfs/dbraw/zinc/03/46/38/1377034638.db2.gz WTANITQSISTGAJ-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CC(NC2(Cc3ccccc3Cl)CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC001246381312 1377051568 /nfs/dbraw/zinc/05/15/68/1377051568.db2.gz OWYLEJZKHIPLMD-HUUCEWRRSA-N 2 0 335.923 3.123 20 0 EGADRP Clc1ccccc1CC1(N[C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC001246381581 1377051717 /nfs/dbraw/zinc/05/17/17/1377051717.db2.gz QMXSRBUKNSFMHV-KRWDZBQOSA-N 2 0 347.934 3.269 20 0 EGADRP Cc1ccccc1N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246542664 1377052646 /nfs/dbraw/zinc/05/26/46/1377052646.db2.gz WVKORASAYUXXRX-UHFFFAOYSA-N 2 0 327.516 3.429 20 0 EGADRP CC[C@@H]1C[C@H](N2CC[C@@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542648 1377052710 /nfs/dbraw/zinc/05/27/10/1377052710.db2.gz WPFCHHZHVJBBKJ-FXUDXRNXSA-N 2 0 326.481 3.322 20 0 EGADRP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](C3C[C@@H]4C=C[C@H](C3)[NH2+]4)CC[C@@H]21 ZINC001246763872 1377053872 /nfs/dbraw/zinc/05/38/72/1377053872.db2.gz IWBHAFODXPMIMR-XWYOSQMSSA-N 2 0 337.511 3.380 20 0 EGADRP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2CSC3(C[NH2+]C3)C2)CC1 ZINC001246745859 1377054158 /nfs/dbraw/zinc/05/41/58/1377054158.db2.gz GKWWRYFZUCLNEE-QGZVFWFLSA-N 2 0 328.525 3.122 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001135437478 1377098278 /nfs/dbraw/zinc/09/82/78/1377098278.db2.gz VNQYMTSPQSRKTG-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)C(C)C ZINC001135474648 1377110097 /nfs/dbraw/zinc/11/00/97/1377110097.db2.gz WONBGBDBFXGYAU-HKFHZZIHSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475663 1377110196 /nfs/dbraw/zinc/11/01/96/1377110196.db2.gz DNWOWHSBIDOPQN-ZWKOTPCHSA-N 2 0 347.547 3.080 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481558 1377113833 /nfs/dbraw/zinc/11/38/33/1377113833.db2.gz VMTLWIYTVRAIEI-MOPGFXCFSA-N 2 0 345.531 3.000 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481561 1377114131 /nfs/dbraw/zinc/11/41/31/1377114131.db2.gz VMTLWIYTVRAIEI-RTBURBONSA-N 2 0 345.531 3.000 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266111138 1377189927 /nfs/dbraw/zinc/18/99/27/1377189927.db2.gz WYYMAAUSZZFBIG-ZWKOTPCHSA-N 2 0 325.541 3.076 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135706037 1377190808 /nfs/dbraw/zinc/19/08/08/1377190808.db2.gz NWBOFBFKOMLBSN-RBUKOAKNSA-N 2 0 347.547 3.327 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001266116333 1377194012 /nfs/dbraw/zinc/19/40/12/1377194012.db2.gz JLNGJBSJIPLWBU-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135746601 1377200754 /nfs/dbraw/zinc/20/07/54/1377200754.db2.gz IJCMHPJVNKVWDS-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827570 1377223538 /nfs/dbraw/zinc/22/35/38/1377223538.db2.gz YJHADGYHBYMZRN-SJORKVTESA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135860898 1377238270 /nfs/dbraw/zinc/23/82/70/1377238270.db2.gz IWRSGCOORCUZAV-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135860550 1377238336 /nfs/dbraw/zinc/23/83/36/1377238336.db2.gz DKVTUEDZAQWWTP-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)C2)CCCCC1 ZINC001266333428 1377280097 /nfs/dbraw/zinc/28/00/97/1377280097.db2.gz MUMHVGWVMOILRX-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001135973720 1377282325 /nfs/dbraw/zinc/28/23/25/1377282325.db2.gz COGPEVPIQLDBGS-QZTJIDSGSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135975691 1377283734 /nfs/dbraw/zinc/28/37/34/1377283734.db2.gz ARUSXAAYVMPFOV-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135979021 1377284764 /nfs/dbraw/zinc/28/47/64/1377284764.db2.gz AXBWLYBYPYEINQ-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1CC ZINC001135978977 1377284878 /nfs/dbraw/zinc/28/48/78/1377284878.db2.gz AGOOXONWJLRLKR-ROUUACIJSA-N 2 0 347.547 3.006 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001135997190 1377293206 /nfs/dbraw/zinc/29/32/06/1377293206.db2.gz ZTDQOWNTIIYCBP-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001267085882 1377411540 /nfs/dbraw/zinc/41/15/40/1377411540.db2.gz KDUYXYWYANTDCS-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](CNC(=O)C2(C[NH+](C)C)CC2)C(C)C)c1 ZINC001268219402 1377496846 /nfs/dbraw/zinc/49/68/46/1377496846.db2.gz NCYSSEXJRYXBON-PKOBYXMFSA-N 2 0 345.531 3.128 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234611 1377544544 /nfs/dbraw/zinc/54/45/44/1377544544.db2.gz BKCPRTNAHQTCPI-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(CN(C)Cc2csc(Br)n2)CC1 ZINC001137582015 1377568223 /nfs/dbraw/zinc/56/82/23/1377568223.db2.gz LZVLPZIQJJXPGS-UHFFFAOYSA-N 2 0 346.338 3.458 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2ccc(Cl)cc12 ZINC001137711025 1377602050 /nfs/dbraw/zinc/60/20/50/1377602050.db2.gz DVCKNIAROIYRII-RBUKOAKNSA-N 2 0 346.906 3.032 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001271578009 1377640242 /nfs/dbraw/zinc/64/02/42/1377640242.db2.gz ZLHDLBXHTYTNCL-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1)c1ccccc1 ZINC001271591309 1377642570 /nfs/dbraw/zinc/64/25/70/1377642570.db2.gz JKQQMYQAAWRMLA-WMZOPIPTSA-N 2 0 340.471 3.074 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC001272179180 1377660209 /nfs/dbraw/zinc/66/02/09/1377660209.db2.gz ZJDWGBXSGYOQPU-FQEVSTJZSA-N 2 0 345.531 3.087 20 0 EGADRP C[N@@H+](Cc1ncccc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001138405415 1377718587 /nfs/dbraw/zinc/71/85/87/1377718587.db2.gz KXGLRJNBYBTKSQ-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP Cc1c2ccccc2sc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001138460164 1377727292 /nfs/dbraw/zinc/72/72/92/1377727292.db2.gz FIQXFHAQCORHSV-UHFFFAOYSA-N 2 0 331.529 3.279 20 0 EGADRP COc1ccc2c(c1)c(C[N@@H+]1CCC3(C1)CC[NH+](C)CC3)cn2C ZINC001139148005 1377839107 /nfs/dbraw/zinc/83/91/07/1377839107.db2.gz UAJWXQNZUYOJRF-UHFFFAOYSA-N 2 0 327.472 3.105 20 0 EGADRP Nc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001139229564 1377856402 /nfs/dbraw/zinc/85/64/02/1377856402.db2.gz DCJOTCBOMSAZBY-IAGOWNOFSA-N 2 0 342.512 3.069 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)cnc1Cl ZINC001139355062 1377872638 /nfs/dbraw/zinc/87/26/38/1377872638.db2.gz JPOZAVDCARXXRY-UHFFFAOYSA-N 2 0 347.334 3.094 20 0 EGADRP CC1C[NH+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139515452 1377895405 /nfs/dbraw/zinc/89/54/05/1377895405.db2.gz NRUYBCYZUAPRMB-UHFFFAOYSA-N 2 0 335.495 3.461 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cnc(Br)cc1Cl)CC2 ZINC001140079797 1378002793 /nfs/dbraw/zinc/00/27/93/1378002793.db2.gz HWXGDUYKHGVDJW-UHFFFAOYSA-N 2 0 344.684 3.025 20 0 EGADRP CC[C@H](C)N1CC[C@@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716523 1378079461 /nfs/dbraw/zinc/07/94/61/1378079461.db2.gz GSGTUAGPAXMADB-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](CCCC(F)(F)F)CC3)[nH]1 ZINC001275165814 1378137057 /nfs/dbraw/zinc/13/70/57/1378137057.db2.gz LKHAMYHSIPJPGM-UHFFFAOYSA-N 2 0 343.393 3.028 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887550 1378169366 /nfs/dbraw/zinc/16/93/66/1378169366.db2.gz GCEOFESBVXHODH-HNNXBMFYSA-N 2 0 332.341 3.252 20 0 EGADRP Cc1c2ccccc2sc1C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001276617404 1378181032 /nfs/dbraw/zinc/18/10/32/1378181032.db2.gz IOXRYZHBKXOBMF-UHFFFAOYSA-N 2 0 329.513 3.031 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(-c4cnccn4)cc3)C2)C1 ZINC001276871698 1378190188 /nfs/dbraw/zinc/19/01/88/1378190188.db2.gz CMOWQJQNEJZPHC-NRFANRHFSA-N 2 0 336.483 3.451 20 0 EGADRP Cc1c[nH]c(=O)c(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276872569 1378190816 /nfs/dbraw/zinc/19/08/16/1378190816.db2.gz USWGOGKHEPMMJO-CALCHBBNSA-N 2 0 329.488 3.182 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001140973207 1378197279 /nfs/dbraw/zinc/19/72/79/1378197279.db2.gz GRLWWTFJVNNVBT-OAQYLSRUSA-N 2 0 336.483 3.171 20 0 EGADRP C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@]23CC[N@H+](CCC(C)(C)C)C3)CC1 ZINC001277254603 1378213506 /nfs/dbraw/zinc/21/35/06/1378213506.db2.gz UXVSAUZVELZLKR-NQIIRXRSSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1COCCO1 ZINC001277524312 1378231113 /nfs/dbraw/zinc/23/11/13/1378231113.db2.gz GHPSAGPDTBHGCX-BGVWBIDGSA-N 2 0 338.536 3.203 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccncc2NC(=O)OC(C)(C)C)CC1 ZINC001141085414 1378236373 /nfs/dbraw/zinc/23/63/73/1378236373.db2.gz HSMLBNMRBUXGEJ-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP CCc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001141224671 1378275396 /nfs/dbraw/zinc/27/53/96/1378275396.db2.gz HSDIUWHTYYEPRJ-VXKWHMMOSA-N 2 0 342.527 3.429 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3c[nH]c4cc(Br)ccc34)C2)CC1 ZINC001142405230 1378440238 /nfs/dbraw/zinc/44/02/38/1378440238.db2.gz NDWRGJYFNJINBI-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001142908709 1378507977 /nfs/dbraw/zinc/50/79/77/1378507977.db2.gz HZSXWPTWGWYDLW-PMACEKPBSA-N 2 0 344.499 3.241 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001282494822 1378512868 /nfs/dbraw/zinc/51/28/68/1378512868.db2.gz QOOOCGDGUPWXLX-OALUTQOASA-N 2 0 345.531 3.450 20 0 EGADRP COc1cc(C)cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001143150606 1378548390 /nfs/dbraw/zinc/54/83/90/1378548390.db2.gz RYWJQBIIOKBLGY-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001143769586 1378644563 /nfs/dbraw/zinc/64/45/63/1378644563.db2.gz JOXSCOUQBAKJQG-LJQANCHMSA-N 2 0 335.536 3.116 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397592 1378834162 /nfs/dbraw/zinc/83/41/62/1378834162.db2.gz FXEPWPUTJPZJST-RBUKOAKNSA-N 2 0 345.531 3.326 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001146608766 1378876581 /nfs/dbraw/zinc/87/65/81/1378876581.db2.gz BACUCHQKYQILLK-SJORKVTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146610165 1378877763 /nfs/dbraw/zinc/87/77/63/1378877763.db2.gz ICCZFYYITUPBRT-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001147359331 1379009223 /nfs/dbraw/zinc/00/92/23/1379009223.db2.gz OTQMOTHHYMSCJY-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1CC ZINC001147359900 1379009475 /nfs/dbraw/zinc/00/94/75/1379009475.db2.gz WDFDDVHBOMRXLT-HXUWFJFHSA-N 2 0 345.531 3.109 20 0 EGADRP CCC/C=C/CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001147456945 1379025362 /nfs/dbraw/zinc/02/53/62/1379025362.db2.gz AHDWKWCYVHVHGP-IHHMQQGQSA-N 2 0 331.504 3.132 20 0 EGADRP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001149041434 1379314532 /nfs/dbraw/zinc/31/45/32/1379314532.db2.gz DIJIOZGVAUXBEK-HOJAQTOUSA-N 2 0 345.531 3.258 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001149137523 1379331824 /nfs/dbraw/zinc/33/18/24/1379331824.db2.gz CJEPNRHJJQNCEE-QUCCMNQESA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001152223194 1379889558 /nfs/dbraw/zinc/88/95/58/1379889558.db2.gz IULLMDYZVNNXRF-SFHVURJKSA-N 2 0 345.531 3.453 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)c1ccccc1C[NH+](C)C)c1ccccc1 ZINC001152384676 1379923735 /nfs/dbraw/zinc/92/37/35/1379923735.db2.gz XDXPQOGBFSOVRJ-FQEVSTJZSA-N 2 0 339.483 3.219 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1F)[NH+]1CCCCC1 ZINC001152473658 1379939215 /nfs/dbraw/zinc/93/92/15/1379939215.db2.gz XSGGVXQUUNNKPK-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccccc2)o1 ZINC001153266397 1380046951 /nfs/dbraw/zinc/04/69/51/1380046951.db2.gz IUYCIWAMNJXRHT-INIZCTEOSA-N 2 0 343.471 3.202 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)CCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001153314089 1380053574 /nfs/dbraw/zinc/05/35/74/1380053574.db2.gz DKMOJHAJJZNNRQ-IBGZPJMESA-N 2 0 349.494 3.249 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312335 1380053948 /nfs/dbraw/zinc/05/39/48/1380053948.db2.gz FTQZCETXSVAFNH-MJGOQNOKSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153677612 1380113350 /nfs/dbraw/zinc/11/33/50/1380113350.db2.gz JJRMGZYRZMMSEW-SJORKVTESA-N 2 0 331.520 3.073 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814348 1380134950 /nfs/dbraw/zinc/13/49/50/1380134950.db2.gz BSCOKGLLDWEUEC-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C(C)C)[NH+](C)C ZINC001154000950 1380175140 /nfs/dbraw/zinc/17/51/40/1380175140.db2.gz MVROSEYONYTYNF-YLJYHZDGSA-N 2 0 347.547 3.477 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464283 1380282513 /nfs/dbraw/zinc/28/25/13/1380282513.db2.gz IKXHAAXICLREMJ-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CCCCCF)C1 ZINC001154784438 1380350574 /nfs/dbraw/zinc/35/05/74/1380350574.db2.gz FUNKKHWCSOOQDO-MSOLQXFVSA-N 2 0 343.531 3.075 20 0 EGADRP CC[N@H+](Cc1ccc(CC(C)C)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155004982 1380389140 /nfs/dbraw/zinc/38/91/40/1380389140.db2.gz BPDQGQAIIKSNHH-GOSISDBHSA-N 2 0 347.547 3.163 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NC[C@H]3CCC(F)(F)C3)c2)CC1 ZINC001155175987 1380419991 /nfs/dbraw/zinc/41/99/91/1380419991.db2.gz NARZPDAVRVWDJL-ZDUSSCGKSA-N 2 0 325.403 3.402 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255700 1380429715 /nfs/dbraw/zinc/42/97/15/1380429715.db2.gz YWADKDKAQLIECM-LJQANCHMSA-N 2 0 347.547 3.178 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155263891 1380430118 /nfs/dbraw/zinc/43/01/18/1380430118.db2.gz XBVVKECZHVFUCW-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611532 1380473565 /nfs/dbraw/zinc/47/35/65/1380473565.db2.gz IDUIHKPMCBPRPE-JNVNVXKGSA-N 2 0 337.552 3.434 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131229 1380529297 /nfs/dbraw/zinc/52/92/97/1380529297.db2.gz IRHYILQSPOLBJC-GFOMBABLSA-N 2 0 337.552 3.290 20 0 EGADRP CCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C)cc1 ZINC001156475942 1380581186 /nfs/dbraw/zinc/58/11/86/1380581186.db2.gz YNWDTJCQBFRTHH-GOSISDBHSA-N 2 0 347.547 3.308 20 0 EGADRP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086514 1380772378 /nfs/dbraw/zinc/77/23/78/1380772378.db2.gz YVLDGHNBWYCYIC-TVRKMHQQSA-N 2 0 345.531 3.235 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092290 1380774018 /nfs/dbraw/zinc/77/40/18/1380774018.db2.gz PKQXMFQACQMBIP-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157887365 1381060827 /nfs/dbraw/zinc/06/08/27/1381060827.db2.gz TYZLIYYJTJJDQC-HKUYNNGSSA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157951131 1381079117 /nfs/dbraw/zinc/07/91/17/1381079117.db2.gz PUQDKVVFEUGRIG-RTBURBONSA-N 2 0 335.536 3.138 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158039561 1381109154 /nfs/dbraw/zinc/10/91/54/1381109154.db2.gz SIUZPZNHYFVKIK-VQTJNVASSA-N 2 0 349.563 3.317 20 0 EGADRP CCOc1cc[nH+]c(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001158166123 1381147191 /nfs/dbraw/zinc/14/71/91/1381147191.db2.gz FPHGXFJSHYAUST-QAQDUYKDSA-N 2 0 326.444 3.152 20 0 EGADRP C[C@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227452 1381166406 /nfs/dbraw/zinc/16/64/06/1381166406.db2.gz HVBQVJJDBDQFTG-MAUKXSAKSA-N 2 0 346.450 3.009 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228150 1381166928 /nfs/dbraw/zinc/16/69/28/1381166928.db2.gz VYNVCJKIGOWZPJ-GOSISDBHSA-N 2 0 328.460 3.061 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001158310894 1381194841 /nfs/dbraw/zinc/19/48/41/1381194841.db2.gz MDQCXRNGOQWBDT-GUDVDZBRSA-N 2 0 337.552 3.076 20 0 EGADRP COc1cc[nH+]c(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001158446537 1381248470 /nfs/dbraw/zinc/24/84/70/1381248470.db2.gz UGJZTEQRDYWNKN-UHFFFAOYSA-N 2 0 329.419 3.330 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480184 1381259863 /nfs/dbraw/zinc/25/98/63/1381259863.db2.gz HOPRYXNTGBSQGS-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cccc2ccc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)nc12 ZINC001158575025 1381306037 /nfs/dbraw/zinc/30/60/37/1381306037.db2.gz GROWLLAYRAIOGN-UHFFFAOYSA-N 2 0 338.499 3.196 20 0 EGADRP Cc1cc2ccccc2nc1N(C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001158574769 1381306572 /nfs/dbraw/zinc/30/65/72/1381306572.db2.gz FEOOZELKOZQYRP-UHFFFAOYSA-N 2 0 338.499 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1cccc(C)c1 ZINC001158704310 1381360671 /nfs/dbraw/zinc/36/06/71/1381360671.db2.gz JELXQGBXYAIAOD-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1cncn1C ZINC001158806693 1381408491 /nfs/dbraw/zinc/40/84/91/1381408491.db2.gz QDKGHUFDSNPPEC-LJQANCHMSA-N 2 0 348.535 3.102 20 0 EGADRP COc1cc2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c2cc1OC ZINC001158827939 1381420680 /nfs/dbraw/zinc/42/06/80/1381420680.db2.gz YXLLCQRCDUGXNT-UHFFFAOYSA-N 2 0 327.428 3.150 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CCCCCC1)[NH+](C)C ZINC001328399492 1388736888 /nfs/dbraw/zinc/73/68/88/1388736888.db2.gz DQMKYOZOOHNUGW-FUHWJXTLSA-N 2 0 325.541 3.027 20 0 EGADRP CC1(C)CC(Nc2cccc(N3CCC([NH3+])CC3)[nH+]2)CC(C)(C)O1 ZINC001159319250 1381760343 /nfs/dbraw/zinc/76/03/43/1381760343.db2.gz IYQDFELPIUFXKX-UHFFFAOYSA-N 2 0 332.492 3.157 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2ccc(N3CC[C@@H]([NH3+])C3)nc2)cc1 ZINC001159323322 1381762374 /nfs/dbraw/zinc/76/23/74/1381762374.db2.gz KAKRLYFXFCEPSB-QGZVFWFLSA-N 2 0 339.487 3.204 20 0 EGADRP CC[NH+](CC)Cc1ccccc1Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001159333686 1381766978 /nfs/dbraw/zinc/76/69/78/1381766978.db2.gz GRDPZLVDMKAQPG-GOSISDBHSA-N 2 0 340.471 3.408 20 0 EGADRP COc1ccc2c(Nc3ccc(O[C@@H]4CC[NH2+]C4)nc3)cc[nH+]c2c1 ZINC001159334551 1381767986 /nfs/dbraw/zinc/76/79/86/1381767986.db2.gz XKWMUQGAEPFSSH-OAHLLOKOSA-N 2 0 336.395 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001159335263 1381768099 /nfs/dbraw/zinc/76/80/99/1381768099.db2.gz XEWNOLWNFMCBGH-AZUAARDMSA-N 2 0 345.531 3.335 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc3cc(N)ccc3c2)CC1 ZINC001159366281 1381778464 /nfs/dbraw/zinc/77/84/64/1381778464.db2.gz UWCHXJUDTWNBKZ-UHFFFAOYSA-N 2 0 333.439 3.312 20 0 EGADRP c1cc(N2CC[NH2+]CC2)ccc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001159455486 1381798923 /nfs/dbraw/zinc/79/89/23/1381798923.db2.gz FTXVXPDOGZUADZ-LJQANCHMSA-N 2 0 326.488 3.040 20 0 EGADRP c1ccc(C[NH+]2CCN(c3ccc(NC4=CC[NH2+]CC4)cc3)CC2)cc1 ZINC001159508389 1381811612 /nfs/dbraw/zinc/81/16/12/1381811612.db2.gz LZUZPSWXBSYTOJ-UHFFFAOYSA-N 2 0 348.494 3.298 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC001159660707 1381861848 /nfs/dbraw/zinc/86/18/48/1381861848.db2.gz SZJMPKCAMFRIII-UHFFFAOYSA-N 2 0 339.483 3.499 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001159789781 1381901345 /nfs/dbraw/zinc/90/13/45/1381901345.db2.gz XCACBDLINMOVIM-MRXNPFEDSA-N 2 0 345.878 3.111 20 0 EGADRP C[N@H+]1Cc2c(Nc3ccncc3C[NH3+])cccc2[C@H](c2ccccc2)C1 ZINC001159806657 1381906565 /nfs/dbraw/zinc/90/65/65/1381906565.db2.gz AZLSMGVEQBPZRT-IBGZPJMESA-N 2 0 344.462 3.283 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909255 1381934118 /nfs/dbraw/zinc/93/41/18/1381934118.db2.gz MGIROQCBHLVKGI-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)c1 ZINC001160045425 1381979050 /nfs/dbraw/zinc/97/90/50/1381979050.db2.gz JBOFDPDOOPNWQJ-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP Fc1cc(Nc2ccc3c(c2)C[NH2+]C3)ccc1OC1CC[NH2+]CC1 ZINC001160101098 1381996834 /nfs/dbraw/zinc/99/68/34/1381996834.db2.gz FAWKGGIVMWTAJV-UHFFFAOYSA-N 2 0 327.403 3.303 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119753 1382002609 /nfs/dbraw/zinc/00/26/09/1382002609.db2.gz HUPQEFFNCKTJPS-XJDXJNMNSA-N 2 0 347.547 3.354 20 0 EGADRP Fc1cccc(OCC2CC[NH2+]CC2)c1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001160157584 1382018924 /nfs/dbraw/zinc/01/89/24/1382018924.db2.gz VWWOEZHUUYOJTK-CABCVRRESA-N 2 0 331.435 3.024 20 0 EGADRP Fc1cccc(Nc2ccc3c(c2)CC[NH2+]C3)c1OC1CC[NH2+]CC1 ZINC001160171191 1382023987 /nfs/dbraw/zinc/02/39/87/1382023987.db2.gz BBCXBROJXLKHPY-UHFFFAOYSA-N 2 0 341.430 3.346 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160285166 1382061327 /nfs/dbraw/zinc/06/13/27/1382061327.db2.gz CIJCMJWYVBIVMU-UUKMXZOPSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160359783 1382082839 /nfs/dbraw/zinc/08/28/39/1382082839.db2.gz ALZPKYDIDXKNPI-YJJPMGAVSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492414 1382121776 /nfs/dbraw/zinc/12/17/76/1382121776.db2.gz RUBWQTWZZHNFRL-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499488 1382124467 /nfs/dbraw/zinc/12/44/67/1382124467.db2.gz DXYVLXXIUXZHBB-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](Cc2ccccc2)CC1 ZINC001160518968 1382129531 /nfs/dbraw/zinc/12/95/31/1382129531.db2.gz ULFZQIGCBUMAFM-UHFFFAOYSA-N 2 0 343.515 3.055 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160870578 1382220195 /nfs/dbraw/zinc/22/01/95/1382220195.db2.gz ZLVMAECNMTYQMG-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP [NH3+]CCc1cn(-c2cc3nc(Cl)cnc3cc2F)c2cc[nH+]cc12 ZINC001160951522 1382248866 /nfs/dbraw/zinc/24/88/66/1382248866.db2.gz FNYATAAJBRZMFT-UHFFFAOYSA-N 2 0 341.777 3.262 20 0 EGADRP [NH3+]CCc1cn(-c2c(F)ccc3c(Cl)ncnc32)c2cc[nH+]cc12 ZINC001160952002 1382249355 /nfs/dbraw/zinc/24/93/55/1382249355.db2.gz PBDYPUBGTBEZKN-UHFFFAOYSA-N 2 0 341.777 3.262 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160990995 1382264639 /nfs/dbraw/zinc/26/46/39/1382264639.db2.gz KBKKQYKMVDIYJX-FQEVSTJZSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001161041634 1382280151 /nfs/dbraw/zinc/28/01/51/1382280151.db2.gz KRVAHNHCXIZAON-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP Cn1ccc2c1cc[nH+]c2NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161130745 1382311887 /nfs/dbraw/zinc/31/18/87/1382311887.db2.gz ASLHDJJNMZVZTQ-UHFFFAOYSA-N 2 0 336.439 3.355 20 0 EGADRP c1cn(-c2cc[nH+]c(NCC3CC[NH+](CC4CCC4)CC3)c2)cn1 ZINC001161233846 1382351317 /nfs/dbraw/zinc/35/13/17/1382351317.db2.gz FQSIRTFOBHFVSE-UHFFFAOYSA-N 2 0 325.460 3.191 20 0 EGADRP CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001328588843 1388784153 /nfs/dbraw/zinc/78/41/53/1388784153.db2.gz MIZUAVIWAHQNEU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001161391528 1382395427 /nfs/dbraw/zinc/39/54/27/1382395427.db2.gz SWGSTPZUZUILNY-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733898 1382491838 /nfs/dbraw/zinc/49/18/38/1382491838.db2.gz NJYAPJRWSBVJCJ-UHFFFAOYSA-N 2 0 337.552 3.437 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001161733627 1382491896 /nfs/dbraw/zinc/49/18/96/1382491896.db2.gz GSHNBXVAMKEFSH-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001161862623 1382533473 /nfs/dbraw/zinc/53/34/73/1382533473.db2.gz IXBNJNGJLYRGDB-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924814 1382553768 /nfs/dbraw/zinc/55/37/68/1382553768.db2.gz MAHJIJDHZFOXEE-QCUQMOABSA-N 2 0 347.547 3.354 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938611 1382562736 /nfs/dbraw/zinc/56/27/36/1382562736.db2.gz RWJXCMQRWVEJLS-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952261 1382567880 /nfs/dbraw/zinc/56/78/80/1382567880.db2.gz FBFGWMPVHMHTBQ-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CCOc1cc[nH+]c(N2CCC([NH3+])(Cc3cccc(OC)c3)CC2)c1 ZINC001162048226 1382613978 /nfs/dbraw/zinc/61/39/78/1382613978.db2.gz RTQARSRILSIYEW-UHFFFAOYSA-N 2 0 341.455 3.029 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(NCCC[NH2+]CCCC[NH3+])nc1 ZINC001162294656 1382723915 /nfs/dbraw/zinc/72/39/15/1382723915.db2.gz QQNFYMOECSWMTF-LJQANCHMSA-N 3 0 347.551 3.149 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](Nc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC001162394855 1382746791 /nfs/dbraw/zinc/74/67/91/1382746791.db2.gz ARELLSYXMPCNMA-KGLIPLIRSA-N 2 0 340.393 3.159 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001162617326 1382810636 /nfs/dbraw/zinc/81/06/36/1382810636.db2.gz GPWHUDUHNLVUPX-IRXDYDNUSA-N 2 0 342.487 3.260 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccc(C2CC2)cc1)c1ccc2c[nH+]cn2c1 ZINC001162617156 1382811284 /nfs/dbraw/zinc/81/12/84/1382811284.db2.gz CPGFNWZEZCXMSN-UHFFFAOYSA-N 2 0 348.450 3.121 20 0 EGADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N[C@H]3C=C[C@@H]4C[NH2+]C[C@H]43)c12 ZINC001162796610 1382875508 /nfs/dbraw/zinc/87/55/08/1382875508.db2.gz FXIIKAIOFVLZID-QRQLOZEOSA-N 2 0 330.435 3.271 20 0 EGADRP CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001162959839 1382927962 /nfs/dbraw/zinc/92/79/62/1382927962.db2.gz CDIRHLVYQMJPSV-HXUWFJFHSA-N 2 0 347.547 3.034 20 0 EGADRP Cc1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c(C[NH+](C)C)c1 ZINC001163064797 1382959651 /nfs/dbraw/zinc/95/96/51/1382959651.db2.gz HWXYPDATQUWOHY-KRWDZBQOSA-N 2 0 326.488 3.080 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]CCC1CCCC1)C1CCCCC1 ZINC001163275073 1383010689 /nfs/dbraw/zinc/01/06/89/1383010689.db2.gz PCJDOTVKRDZRKS-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163274659 1383010977 /nfs/dbraw/zinc/01/09/77/1383010977.db2.gz BHZAHUBSCOFLKX-WAYWQWQTSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001163290157 1383013153 /nfs/dbraw/zinc/01/31/53/1383013153.db2.gz CCEOTGIUFCLSFT-QGZVFWFLSA-N 2 0 331.504 3.108 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(N[C@@H]3CC[N@@H+](C(C)C)C[C@H]3C)[nH+]cc21 ZINC001163366652 1383033130 /nfs/dbraw/zinc/03/31/30/1383033130.db2.gz WAAVFGGLPHZILL-CZUORRHYSA-N 2 0 344.459 3.270 20 0 EGADRP CC(C)Oc1cc[nH+]c(N2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001164439627 1383186888 /nfs/dbraw/zinc/18/68/88/1383186888.db2.gz TZBAKGGEFGFLKM-UHFFFAOYSA-N 2 0 325.456 3.366 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001164509196 1383194670 /nfs/dbraw/zinc/19/46/70/1383194670.db2.gz WOSLTXPEUGNCEG-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531956 1383196829 /nfs/dbraw/zinc/19/68/29/1383196829.db2.gz YAMXUYSGIBTHRG-FKDQEEMOSA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)Oc1cc[nH+]c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001165267143 1383262695 /nfs/dbraw/zinc/26/26/95/1383262695.db2.gz YSDAOWRQNVFFAY-OAHLLOKOSA-N 2 0 343.393 3.380 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001165359531 1383281580 /nfs/dbraw/zinc/28/15/80/1383281580.db2.gz DEBJDVKWYGZFSC-QGZVFWFLSA-N 2 0 347.547 3.483 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165718995 1383331243 /nfs/dbraw/zinc/33/12/43/1383331243.db2.gz WNNCPFCFNYESMM-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165728772 1383334403 /nfs/dbraw/zinc/33/44/03/1383334403.db2.gz UCTRWNJGJCJQHH-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cc(C)[nH+]c(N2Cc3cncn3C[C@H](COc3cccnc3)C2)c1 ZINC001165738867 1383336899 /nfs/dbraw/zinc/33/68/99/1383336899.db2.gz ORGITHMCBVSBRM-QGZVFWFLSA-N 2 0 349.438 3.005 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165763762 1383341389 /nfs/dbraw/zinc/34/13/89/1383341389.db2.gz FQMWAUSKYIPPSX-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165765070 1383341940 /nfs/dbraw/zinc/34/19/40/1383341940.db2.gz XPVQCFAHYBHTFK-OOFWQKGWSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccccc1Cl)[NH+](CC)CC ZINC001166433050 1383422183 /nfs/dbraw/zinc/42/21/83/1383422183.db2.gz WBKVFJVEILDFEW-QGZVFWFLSA-N 2 0 339.911 3.056 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1F)[NH+](CC)CC ZINC001166455812 1383424051 /nfs/dbraw/zinc/42/40/51/1383424051.db2.gz ZWJDUVSHZUJTMW-CRAIPNDOSA-N 2 0 337.483 3.103 20 0 EGADRP Cc1c[nH+]c(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)cc1N ZINC001166496486 1383428975 /nfs/dbraw/zinc/42/89/75/1383428975.db2.gz BQWHBBNCFOGPEQ-UHFFFAOYSA-N 2 0 345.406 3.484 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166546446 1383436964 /nfs/dbraw/zinc/43/69/64/1383436964.db2.gz ZRJLBLUHUHQLBD-WAYWQWQTSA-N 2 0 335.536 3.093 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001166744337 1383469882 /nfs/dbraw/zinc/46/98/82/1383469882.db2.gz RFXYPKLPVPGVHN-UHFFFAOYSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CC2(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001166985517 1383509242 /nfs/dbraw/zinc/50/92/42/1383509242.db2.gz ATIHCWWWCPCVQA-MSOLQXFVSA-N 2 0 337.552 3.031 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167224931 1383570028 /nfs/dbraw/zinc/57/00/28/1383570028.db2.gz OAYRLZVZOQPWPE-QWNKOJSDSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001167232546 1383570741 /nfs/dbraw/zinc/57/07/41/1383570741.db2.gz GXWHZUJCXUVGQP-KRWDZBQOSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1)c1ccccc1 ZINC001167251655 1383576258 /nfs/dbraw/zinc/57/62/58/1383576258.db2.gz YMVWULRJIYAXHE-MOPGFXCFSA-N 2 0 345.531 3.354 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1)[NH+](C)C ZINC001167260823 1383577912 /nfs/dbraw/zinc/57/79/12/1383577912.db2.gz LJKMPPOUKWQYGL-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cc(N[C@H]2CC[N@@H+](C)C2)nc2c1C[NH+](Cc1ccccc1)CC2 ZINC001167270424 1383580739 /nfs/dbraw/zinc/58/07/39/1383580739.db2.gz UZOAWXRXYGLFQW-SFHVURJKSA-N 2 0 336.483 3.064 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(-n3ccc4cc(C[NH3+])cnc43)c(C)c2)CC1 ZINC001167308261 1383591908 /nfs/dbraw/zinc/59/19/08/1383591908.db2.gz LSMJDCGMHNEKDJ-UHFFFAOYSA-N 2 0 347.466 3.297 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]C[C@@H](C)CC)CC1 ZINC001167470918 1383642753 /nfs/dbraw/zinc/64/27/53/1383642753.db2.gz IVZURRBUIPLVSF-SFHVURJKSA-N 2 0 339.568 3.421 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC001300214383 1383653282 /nfs/dbraw/zinc/65/32/82/1383653282.db2.gz QPDOPSMSABHALE-MRXNPFEDSA-N 2 0 338.455 3.306 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)[NH+]1CCCCCC1 ZINC001167609654 1383689074 /nfs/dbraw/zinc/68/90/74/1383689074.db2.gz OKGSZNUGZISYEP-FXAWDEMLSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001167636349 1383695271 /nfs/dbraw/zinc/69/52/71/1383695271.db2.gz SRHZOERXWAAZDT-VQIMIIECSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC001167683809 1383709435 /nfs/dbraw/zinc/70/94/35/1383709435.db2.gz BXPWDBNHGMQAGF-QAPCUYQASA-N 2 0 335.467 3.125 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167706019 1383717621 /nfs/dbraw/zinc/71/76/21/1383717621.db2.gz TVLUEIUHFJOOJH-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001167823770 1383749194 /nfs/dbraw/zinc/74/91/94/1383749194.db2.gz FICNHHTXSPIYQF-SXLOBPIMSA-N 2 0 338.536 3.157 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001167824004 1383749327 /nfs/dbraw/zinc/74/93/27/1383749327.db2.gz ASUOXJPFTRHALC-KRWDZBQOSA-N 2 0 349.494 3.094 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC001167827909 1383751162 /nfs/dbraw/zinc/75/11/62/1383751162.db2.gz ZKVVMNRMSSAJAO-GOSISDBHSA-N 2 0 335.511 3.454 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001167827025 1383751260 /nfs/dbraw/zinc/75/12/60/1383751260.db2.gz ROQLYGSNYZBHBS-BQFCYCMXSA-N 2 0 349.544 3.153 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2ncccc2OC)C1 ZINC001167834762 1383753302 /nfs/dbraw/zinc/75/33/02/1383753302.db2.gz MTVGOAGMBUXVRQ-IRXDYDNUSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001167835882 1383754163 /nfs/dbraw/zinc/75/41/63/1383754163.db2.gz VIQKNXKTCAXAJC-GOSISDBHSA-N 3 0 339.568 3.072 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1ncccc1F)C1CC[NH2+]CC1 ZINC001167835716 1383754205 /nfs/dbraw/zinc/75/42/05/1383754205.db2.gz UDQNHYGBJWPCDY-INIZCTEOSA-N 2 0 336.499 3.290 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001167836354 1383755339 /nfs/dbraw/zinc/75/53/39/1383755339.db2.gz VPMQFLNYJBOVIS-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001167838071 1383755767 /nfs/dbraw/zinc/75/57/67/1383755767.db2.gz PGRZNWXUWBTDFA-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C)(C(=O)N2CCCC2)CC1 ZINC001167838467 1383756183 /nfs/dbraw/zinc/75/61/83/1383756183.db2.gz UZBNLPYIVIZMGQ-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1[nH]c2ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)cc2[nH+]1 ZINC001167944136 1383774909 /nfs/dbraw/zinc/77/49/09/1383774909.db2.gz YVKNELJXKKEYRT-HNNXBMFYSA-N 2 0 332.448 3.123 20 0 EGADRP OC[C@H](Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968583 1383781204 /nfs/dbraw/zinc/78/12/04/1383781204.db2.gz RZAXPHWCUKSQDJ-SEBOWIOWSA-N 2 0 348.918 3.238 20 0 EGADRP O[C@H]1c2ccccc2CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969049 1383782480 /nfs/dbraw/zinc/78/24/80/1383782480.db2.gz YUDPVSCBIWNJRM-XOGABFJHSA-N 2 0 326.484 3.030 20 0 EGADRP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167981608 1383786875 /nfs/dbraw/zinc/78/68/75/1383786875.db2.gz BJWCUBYESKTPDK-OHSMVPPVSA-N 2 0 348.918 3.411 20 0 EGADRP CCOC(=O)C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984718 1383787529 /nfs/dbraw/zinc/78/75/29/1383787529.db2.gz PXVFIWBSFLYFFK-HTUJPFKRSA-N 2 0 334.504 3.057 20 0 EGADRP CCOC(=O)[C@@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994310 1383790625 /nfs/dbraw/zinc/79/06/25/1383790625.db2.gz BMNNQRBIDOFNJM-KAKFPZCNSA-N 2 0 334.504 3.057 20 0 EGADRP CC(=O)N1CCC([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011289 1383796534 /nfs/dbraw/zinc/79/65/34/1383796534.db2.gz NFMCZUONMCLQFT-IRXDYDNUSA-N 2 0 343.515 3.029 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168025919 1383799002 /nfs/dbraw/zinc/79/90/02/1383799002.db2.gz KOOLLSHKDLRWPI-SMOSDQRPSA-N 2 0 344.499 3.359 20 0 EGADRP COC(=O)[C@]1(C)CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066618 1383809376 /nfs/dbraw/zinc/80/93/76/1383809376.db2.gz QODKSNHDVUJPBV-XGHQBKJUSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001168142452 1383825984 /nfs/dbraw/zinc/82/59/84/1383825984.db2.gz CTKRSTFCUBDQIM-GFOJFJKKSA-N 2 0 328.500 3.398 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001168290656 1383864549 /nfs/dbraw/zinc/86/45/49/1383864549.db2.gz VEUUEFXFURXJCS-BACDZXNISA-N 2 0 339.524 3.285 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001168294967 1383865983 /nfs/dbraw/zinc/86/59/83/1383865983.db2.gz LGSQQSHFLVDFBU-CGZBRXJRSA-N 2 0 337.305 3.379 20 0 EGADRP COc1cc2c(cc1OC)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CC2 ZINC001168312048 1383870465 /nfs/dbraw/zinc/87/04/65/1383870465.db2.gz HZZKRXCDCNKJDV-LXPRWKDFSA-N 2 0 332.488 3.024 20 0 EGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315047 1383871715 /nfs/dbraw/zinc/87/17/15/1383871715.db2.gz QEOJKYOCGZGIKC-KLAILNCOSA-N 2 0 339.524 3.048 20 0 EGADRP COc1cccc(O[C@H]2CCC[N@@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168323270 1383872158 /nfs/dbraw/zinc/87/21/58/1383872158.db2.gz XALJBVDGFPIQAR-UHYCVJNDSA-N 2 0 332.488 3.411 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320544 1383872544 /nfs/dbraw/zinc/87/25/44/1383872544.db2.gz BCUHPOXESYFIIZ-SNAWJCMRSA-N 2 0 349.563 3.485 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CC2(CCNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001168320629 1383872790 /nfs/dbraw/zinc/87/27/90/1383872790.db2.gz HKVKPRKRDBGJQC-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(n3c4ccccc4oc3=O)CC2)CC1 ZINC001168324350 1383873400 /nfs/dbraw/zinc/87/34/00/1383873400.db2.gz MLBYPQRUPQJBMO-UHFFFAOYSA-N 2 0 343.471 3.104 20 0 EGADRP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329181 1383874302 /nfs/dbraw/zinc/87/43/02/1383874302.db2.gz OVVBUXLLGBUTGK-OTBWCIGPSA-N 2 0 339.524 3.237 20 0 EGADRP CN(C[C@H]1CCC[N@@H+]1C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001168328514 1383874555 /nfs/dbraw/zinc/87/45/55/1383874555.db2.gz IVLMNXARBKPZRM-OFLPRAFFSA-N 2 0 339.524 3.191 20 0 EGADRP [NH3+]Cc1cccc(Br)c1NC1CC[NH+](CC2CC2)CC1 ZINC001168368608 1383885544 /nfs/dbraw/zinc/88/55/44/1383885544.db2.gz MKYADCFPJROMAW-UHFFFAOYSA-N 2 0 338.293 3.194 20 0 EGADRP COc1ccc2c(c1)SC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168372474 1383887492 /nfs/dbraw/zinc/88/74/92/1383887492.db2.gz YKUHWIUJPSELQH-QGZVFWFLSA-N 2 0 332.513 3.176 20 0 EGADRP c1ccc(C[N@H+]2CCCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168379278 1383889858 /nfs/dbraw/zinc/88/98/58/1383889858.db2.gz GJJSQFDLQGSUNO-UHFFFAOYSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc2c(c1)N(C1CC[NH+](CC3CC3)CC1)CC21CC[NH2+]CC1 ZINC001168387935 1383891696 /nfs/dbraw/zinc/89/16/96/1383891696.db2.gz YPJMOVVHHHFENK-UHFFFAOYSA-N 2 0 325.500 3.002 20 0 EGADRP C[N@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168388664 1383892778 /nfs/dbraw/zinc/89/27/78/1383892778.db2.gz DZCWCHDUMBEANI-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168391787 1383893983 /nfs/dbraw/zinc/89/39/83/1383893983.db2.gz OJHLDZJUVMFOKU-GOSISDBHSA-N 2 0 327.516 3.240 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1CCCCCCC1)c1ccccc1 ZINC001307451186 1383992224 /nfs/dbraw/zinc/99/22/24/1383992224.db2.gz TZZZHCDVOFAKJC-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP CCOC(=O)c1cc2c(cc(C)[nH+]c2NCC(C)(C)C[NH+](C)C)n1C ZINC001168764024 1383996215 /nfs/dbraw/zinc/99/62/15/1383996215.db2.gz NNNWASAUXLSKMR-UHFFFAOYSA-N 2 0 346.475 3.058 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168820613 1384018277 /nfs/dbraw/zinc/01/82/77/1384018277.db2.gz ZFYMNYCXUQKEFR-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP C[C@@H](O)[C@H]1CCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001307937635 1384059303 /nfs/dbraw/zinc/05/93/03/1384059303.db2.gz AUMGCSVVJFAKQV-WIYYLYMNSA-N 2 0 330.516 3.176 20 0 EGADRP Cc1cnc(C[NH3+])n1-c1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001169029293 1384093586 /nfs/dbraw/zinc/09/35/86/1384093586.db2.gz PGTYTHGAFIUINQ-IBGZPJMESA-N 2 0 349.482 3.118 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169093507 1384105892 /nfs/dbraw/zinc/10/58/92/1384105892.db2.gz IGCUCRDVHKXZSS-AGGBGYSWSA-N 2 0 339.527 3.397 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cc(F)cc(F)c3)CC1)C2 ZINC001169108895 1384108282 /nfs/dbraw/zinc/10/82/82/1384108282.db2.gz DZNSZUZTHCKZLS-OWZKRDHZSA-N 2 0 349.469 3.144 20 0 EGADRP Cc1c(F)cccc1CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169108530 1384108378 /nfs/dbraw/zinc/10/83/78/1384108378.db2.gz ARZLZYHKJVWRGC-ACDBMABISA-N 2 0 345.506 3.313 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(F)c3F)CC1)C2 ZINC001169113944 1384108620 /nfs/dbraw/zinc/10/86/20/1384108620.db2.gz VJGGRZRPCCBQNP-NNZMDNLPSA-N 2 0 349.469 3.144 20 0 EGADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC001169117296 1384109092 /nfs/dbraw/zinc/10/90/92/1384109092.db2.gz XTTMXAXHTDXICE-SFNKJDCFSA-N 2 0 328.456 3.065 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(CC(=O)OC(C)(C)C)c1)C2 ZINC001169123107 1384110413 /nfs/dbraw/zinc/11/04/13/1384110413.db2.gz JDAQRRHWGGYCQB-REPLKXPHSA-N 2 0 344.499 3.286 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)C2 ZINC001169122895 1384110475 /nfs/dbraw/zinc/11/04/75/1384110475.db2.gz FWIMTBWPSUJXJS-PIIMJCKOSA-N 2 0 334.891 3.249 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122927 1384110591 /nfs/dbraw/zinc/11/05/91/1384110591.db2.gz GGOWZQSDIQEKJP-QNDFHXLGSA-N 2 0 327.516 3.112 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127851 1384110865 /nfs/dbraw/zinc/11/08/65/1384110865.db2.gz TYLNJQMOQLJYBV-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001308248972 1384112693 /nfs/dbraw/zinc/11/26/93/1384112693.db2.gz OVIXHJJXYJKFNW-RBUKOAKNSA-N 2 0 345.575 3.388 20 0 EGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148098 1384114708 /nfs/dbraw/zinc/11/47/08/1384114708.db2.gz YSAMTNNOEGSPCT-BURNTYAHSA-N 2 0 327.516 3.066 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](c2ccccc2)C1 ZINC001169155100 1384116136 /nfs/dbraw/zinc/11/61/36/1384116136.db2.gz YBZJYFMPYQVUQD-OBKDMQGPSA-N 2 0 342.483 3.238 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001169155944 1384116699 /nfs/dbraw/zinc/11/66/99/1384116699.db2.gz WFRBIZXKKAQHER-QDMKHBRRSA-N 2 0 335.879 3.203 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cn2cc[nH+]c2cc1C ZINC001169174851 1384119517 /nfs/dbraw/zinc/11/95/17/1384119517.db2.gz WVFXRMMIHGZPBZ-UHFFFAOYSA-N 2 0 334.423 3.405 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2ccc(CC(=O)OC(C)(C)C)cc2)CC1 ZINC001169233461 1384125388 /nfs/dbraw/zinc/12/53/88/1384125388.db2.gz QZPWDKREAXIOTF-UHFFFAOYSA-N 2 0 346.515 3.187 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC001308476772 1384127871 /nfs/dbraw/zinc/12/78/71/1384127871.db2.gz SVRQRXRLJWOEFD-NRFANRHFSA-N 2 0 346.515 3.456 20 0 EGADRP CC[NH+]1CCC(N2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001169264512 1384129287 /nfs/dbraw/zinc/12/92/87/1384129287.db2.gz GLQDDTQZDAQQGQ-UHFFFAOYSA-N 2 0 327.516 3.069 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169452748 1384149493 /nfs/dbraw/zinc/14/94/93/1384149493.db2.gz RBYVOELXTNUYEB-IHPCNDPISA-N 2 0 345.531 3.406 20 0 EGADRP c1[nH]c2ccc(NCC[C@H]3CCC[NH2+]3)cc2c1CC[NH+]1CCCC1 ZINC001169563765 1384159726 /nfs/dbraw/zinc/15/97/26/1384159726.db2.gz AMHBCUZFVQNTCD-QGZVFWFLSA-N 2 0 326.488 3.360 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169811115 1384187953 /nfs/dbraw/zinc/18/79/53/1384187953.db2.gz TYPWEJJCEHBWQA-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)CCO1 ZINC001170214519 1384266945 /nfs/dbraw/zinc/26/69/45/1384266945.db2.gz PYHLLZSEDCMDQV-PLACYPQZSA-N 2 0 328.500 3.316 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753157 1384379876 /nfs/dbraw/zinc/37/98/76/1384379876.db2.gz MUOGHNSQNUJLJA-BKZNIZDZSA-N 2 0 332.532 3.101 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769172 1384382367 /nfs/dbraw/zinc/38/23/67/1384382367.db2.gz DZFIREJRPDBBHY-IAGOWNOFSA-N 2 0 343.531 3.264 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCCC[NH2+]CCCC1CCC1)c1ccccc1 ZINC001170828635 1384393443 /nfs/dbraw/zinc/39/34/43/1384393443.db2.gz FIISTJLUCXIOPQ-NRFANRHFSA-N 2 0 345.531 3.140 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC001170868213 1384401536 /nfs/dbraw/zinc/40/15/36/1384401536.db2.gz QYOQSSKDAYQFHS-ICSRJNTNSA-N 2 0 347.547 3.458 20 0 EGADRP Cc1sc2nc(C)nc(N[C@@H]([NH3+])CCC[NH3+])c2c1-c1ccccc1 ZINC001170898276 1384407553 /nfs/dbraw/zinc/40/75/53/1384407553.db2.gz RPUVCNMGSLHJGL-CQSZACIVSA-N 2 0 341.484 3.411 20 0 EGADRP COc1c(Br)cc(C(C)C)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170905158 1384408559 /nfs/dbraw/zinc/40/85/59/1384408559.db2.gz TUQYMDFJSDQHSM-ZDUSSCGKSA-N 2 0 330.270 3.017 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3cccc(F)c3C2)cc1 ZINC001170956814 1384418116 /nfs/dbraw/zinc/41/81/16/1384418116.db2.gz HTRMRTWWTMJKAG-SFHVURJKSA-N 2 0 342.458 3.413 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171120972 1384449809 /nfs/dbraw/zinc/44/98/09/1384449809.db2.gz QLVKOUKRYPYMHB-AZUAARDMSA-N 2 0 345.531 3.326 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171162588 1384458474 /nfs/dbraw/zinc/45/84/74/1384458474.db2.gz YTNCBNHGPWRRMK-RTBURBONSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001171175081 1384460993 /nfs/dbraw/zinc/46/09/93/1384460993.db2.gz PVWZPRVELCWDLT-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001171235021 1384475914 /nfs/dbraw/zinc/47/59/14/1384475914.db2.gz BUXNENYKQCWUBE-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235016 1384476023 /nfs/dbraw/zinc/47/60/23/1384476023.db2.gz BPWNCSAELIFZKR-INIZCTEOSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248648 1384478037 /nfs/dbraw/zinc/47/80/37/1384478037.db2.gz WWXSDLZWZVLUPF-LPHOPBHVSA-N 2 0 335.536 3.068 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260509 1384480810 /nfs/dbraw/zinc/48/08/10/1384480810.db2.gz JQOKXBLYYCYPPS-QGZVFWFLSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261678 1384481449 /nfs/dbraw/zinc/48/14/49/1384481449.db2.gz YCVHEWFMMVKMPF-QGZVFWFLSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001171358883 1384501446 /nfs/dbraw/zinc/50/14/46/1384501446.db2.gz MPIHXCSWIFHKHS-HKUYNNGSSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001171359656 1384501677 /nfs/dbraw/zinc/50/16/77/1384501677.db2.gz UFFFACMWDWHIDQ-HKUYNNGSSA-N 2 0 339.568 3.418 20 0 EGADRP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171412223 1384516426 /nfs/dbraw/zinc/51/64/26/1384516426.db2.gz SWJLUCWCUGRPPE-SFHVURJKSA-N 2 0 339.458 3.114 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001171499733 1384543323 /nfs/dbraw/zinc/54/33/23/1384543323.db2.gz GKCXUKMLLCZTDU-LGDHNJMOSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001171500227 1384543347 /nfs/dbraw/zinc/54/33/47/1384543347.db2.gz IWXBDFWZERFCSJ-IEBWSBKVSA-N 2 0 333.520 3.100 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509086 1384545961 /nfs/dbraw/zinc/54/59/61/1384545961.db2.gz LXYGKIRFYSGVES-PXPVJAHISA-N 2 0 349.563 3.483 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001171509359 1384546726 /nfs/dbraw/zinc/54/67/26/1384546726.db2.gz OIEHPHDWUDKPLS-PKOBYXMFSA-N 2 0 333.520 3.100 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171617940 1384581092 /nfs/dbraw/zinc/58/10/92/1384581092.db2.gz CITHBICDOBJBLV-SFHVURJKSA-N 2 0 348.535 3.363 20 0 EGADRP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171621485 1384582753 /nfs/dbraw/zinc/58/27/53/1384582753.db2.gz LQAHZKXTKUKGCO-CYBMUJFWSA-N 2 0 327.513 3.141 20 0 EGADRP CCC(CC)C(=O)N1CC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171625800 1384584448 /nfs/dbraw/zinc/58/44/48/1384584448.db2.gz OGYDBHVUVKLYQK-MRXNPFEDSA-N 2 0 337.552 3.265 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC[C@H](NC(=O)C3CC3)CC2)CC1(C)C ZINC001171627381 1384585241 /nfs/dbraw/zinc/58/52/41/1384585241.db2.gz RQQFJSWPQKXAJC-WKILWMFISA-N 2 0 335.536 3.065 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171629939 1384585428 /nfs/dbraw/zinc/58/54/28/1384585428.db2.gz SPOGNKHQFXTNRS-GDBMZVCRSA-N 2 0 348.466 3.269 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC1(C)C ZINC001171638661 1384587981 /nfs/dbraw/zinc/58/79/81/1384587981.db2.gz YTDLHHXBWQSABZ-OAQYLSRUSA-N 2 0 341.499 3.234 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171646793 1384591731 /nfs/dbraw/zinc/59/17/31/1384591731.db2.gz PSNGPGWCDCJQQM-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674809 1384598908 /nfs/dbraw/zinc/59/89/08/1384598908.db2.gz SHYATWZKMJPHJR-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683646 1384601969 /nfs/dbraw/zinc/60/19/69/1384601969.db2.gz OJKMWXCIRBZURJ-INIZCTEOSA-N 2 0 328.460 3.179 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171769576 1384630490 /nfs/dbraw/zinc/63/04/90/1384630490.db2.gz UOEPNTSVOJUPLV-AYWYSENESA-N 2 0 345.506 3.158 20 0 EGADRP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788841 1384637764 /nfs/dbraw/zinc/63/77/64/1384637764.db2.gz XYJUDTGJYHVYJW-QGZVFWFLSA-N 2 0 342.433 3.468 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171864069 1384664481 /nfs/dbraw/zinc/66/44/81/1384664481.db2.gz LJAGTJJUIFLHSN-FQEVSTJZSA-N 2 0 343.515 3.003 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171925006 1384684426 /nfs/dbraw/zinc/68/44/26/1384684426.db2.gz YMCSFEVALGXESZ-GOSISDBHSA-N 2 0 347.547 3.469 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171930412 1384686016 /nfs/dbraw/zinc/68/60/16/1384686016.db2.gz OUOPKNCOEQUBEP-SFHVURJKSA-N 2 0 337.552 3.482 20 0 EGADRP CCOC(=O)C1(C)CCC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001171948759 1384693636 /nfs/dbraw/zinc/69/36/36/1384693636.db2.gz TXPYMKSZGLYSIP-UHFFFAOYSA-N 2 0 336.520 3.449 20 0 EGADRP Cc1cnc(CC[NH3+])n1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963919 1384696950 /nfs/dbraw/zinc/69/69/50/1384696950.db2.gz FUILUDOFGYUANY-SFHVURJKSA-N 2 0 326.488 3.308 20 0 EGADRP CCOC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973146 1384699336 /nfs/dbraw/zinc/69/93/36/1384699336.db2.gz WMXDDHKHASTQMM-FUHWJXTLSA-N 2 0 332.488 3.361 20 0 EGADRP CC1(C)C[C@H](N2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984252 1384703396 /nfs/dbraw/zinc/70/33/96/1384703396.db2.gz JSBCQIVBVAKWQI-OAQYLSRUSA-N 2 0 341.543 3.457 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2CCN(CCF)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171983097 1384703487 /nfs/dbraw/zinc/70/34/87/1384703487.db2.gz MUHNQRBEGVOAAC-HXUWFJFHSA-N 2 0 347.522 3.453 20 0 EGADRP N=c1cc(C[NH3+])ccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063938 1384714625 /nfs/dbraw/zinc/71/46/25/1384714625.db2.gz FEJLQRCPEGGZTC-ACDBMABISA-N 2 0 336.483 3.184 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC(C4COC4)C2)C3)cc1 ZINC001172079216 1384721842 /nfs/dbraw/zinc/72/18/42/1384721842.db2.gz MZZRSDNJJUHVTR-WKCHPHFGSA-N 2 0 326.484 3.150 20 0 EGADRP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)[NH3+])C2 ZINC001172088860 1384725308 /nfs/dbraw/zinc/72/53/08/1384725308.db2.gz NJFJEWVFRCEELJ-QDMKHBRRSA-N 2 0 339.524 3.413 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccc(F)cc3)CC1)C2 ZINC001172109031 1384727884 /nfs/dbraw/zinc/72/78/84/1384727884.db2.gz BNKZQRGSYVMPKR-ACDBMABISA-N 2 0 345.506 3.177 20 0 EGADRP CC[C@H](CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001172116497 1384732927 /nfs/dbraw/zinc/73/29/27/1384732927.db2.gz HOYGKJLHUOGJOW-VQHPVUNQSA-N 2 0 339.524 3.285 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119046 1384733618 /nfs/dbraw/zinc/73/36/18/1384733618.db2.gz RSYAAWYYUSYUAA-FCGDIQPGSA-N 2 0 349.563 3.013 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001172120918 1384734204 /nfs/dbraw/zinc/73/42/04/1384734204.db2.gz HJZMQUUHFUXCDU-WKCHPHFGSA-N 2 0 327.516 3.210 20 0 EGADRP CCCc1noc([C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)n1 ZINC001172129149 1384737408 /nfs/dbraw/zinc/73/74/08/1384737408.db2.gz XARMCIMLPJUJOI-NCOADZHNSA-N 2 0 332.492 3.217 20 0 EGADRP COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128888 1384738212 /nfs/dbraw/zinc/73/82/12/1384738212.db2.gz VHPDVJZCLHFWBJ-DOADOZAASA-N 2 0 346.515 3.454 20 0 EGADRP Cc1cc(F)ccc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172221938 1384751006 /nfs/dbraw/zinc/75/10/06/1384751006.db2.gz DENBAPKFMNQFOR-IHWFROFDSA-N 2 0 332.463 3.398 20 0 EGADRP COCCC[NH+]1CCC(n2c3ccc(F)cc3c3c2C[NH2+]CC3)CC1 ZINC001172253749 1384757403 /nfs/dbraw/zinc/75/74/03/1384757403.db2.gz ANAQXLFAFVGTQA-UHFFFAOYSA-N 2 0 345.462 3.100 20 0 EGADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C[C@@H]1C ZINC001172379166 1384781102 /nfs/dbraw/zinc/78/11/02/1384781102.db2.gz QYJRYGCIWUUPKY-UWVAXJGDSA-N 2 0 349.563 3.076 20 0 EGADRP CCOCC[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001172425107 1384789171 /nfs/dbraw/zinc/78/91/71/1384789171.db2.gz UBEQMPNOKLOUMB-IBGZPJMESA-N 2 0 346.515 3.169 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001172586285 1384815505 /nfs/dbraw/zinc/81/55/05/1384815505.db2.gz GUAOBOPKJCNSHO-OALUTQOASA-N 2 0 330.472 3.104 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001172771435 1384848371 /nfs/dbraw/zinc/84/83/71/1384848371.db2.gz VDCMZJXTBBZDGI-UXHICEINSA-N 2 0 344.499 3.494 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001172797128 1384853893 /nfs/dbraw/zinc/85/38/93/1384853893.db2.gz GMOMELLYFLTCIR-BHIYHBOVSA-N 2 0 332.488 3.205 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)CC2 ZINC001172828709 1384860447 /nfs/dbraw/zinc/86/04/47/1384860447.db2.gz OKFQKCDWFSEICV-NJDAHSKKSA-N 2 0 328.500 3.085 20 0 EGADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)Cc1c(F)cccc1Cl ZINC001172842452 1384864080 /nfs/dbraw/zinc/86/40/80/1384864080.db2.gz QJXAZSGVHZXIFV-AWEZNQCLSA-N 2 0 329.891 3.013 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001172957157 1384889366 /nfs/dbraw/zinc/88/93/66/1384889366.db2.gz FEXAECHDDLPWKG-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001172958679 1384890635 /nfs/dbraw/zinc/89/06/35/1384890635.db2.gz XTKWULMUDWJKKW-HRCADAONSA-N 2 0 327.513 3.094 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172961044 1384891226 /nfs/dbraw/zinc/89/12/26/1384891226.db2.gz PACAVMFLRRNNOL-MRXNPFEDSA-N 2 0 341.540 3.342 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001172962552 1384891353 /nfs/dbraw/zinc/89/13/53/1384891353.db2.gz FIPMHNNNPOSQFG-ZACQAIPSSA-N 2 0 341.540 3.340 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173005071 1384897092 /nfs/dbraw/zinc/89/70/92/1384897092.db2.gz JHYJEQAYHOFSQH-UHFFFAOYSA-N 2 0 349.494 3.094 20 0 EGADRP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173063125 1384904904 /nfs/dbraw/zinc/90/49/04/1384904904.db2.gz XARQYUMYDDBSEO-QAETUUGQSA-N 2 0 339.524 3.237 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001173108278 1384916502 /nfs/dbraw/zinc/91/65/02/1384916502.db2.gz ACGRMZBBMLOSCK-UYSNPLJNSA-N 2 0 336.442 3.419 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](CC(=O)OC)c2cccc(O)c2)CC1 ZINC001173107754 1384916508 /nfs/dbraw/zinc/91/65/08/1384916508.db2.gz LHJCPEYNXXFDLD-FAFZWHIHSA-N 2 0 348.487 3.239 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)CC1 ZINC001173112130 1384916810 /nfs/dbraw/zinc/91/68/10/1384916810.db2.gz QXPXEVQNIPSNKR-GZNCHQMQSA-N 2 0 349.563 3.362 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3cc(OC)ccn3)C2)CC1 ZINC001173113248 1384917594 /nfs/dbraw/zinc/91/75/94/1384917594.db2.gz IQRFWKDBJGJWQH-FAFZWHIHSA-N 2 0 347.503 3.196 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cccc(C(=O)OC)c3C2)CC1 ZINC001173113308 1384917607 /nfs/dbraw/zinc/91/76/07/1384917607.db2.gz JVSHAHNGAGSBBO-UHFFFAOYSA-N 2 0 344.499 3.484 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)CC1 ZINC001173113102 1384917771 /nfs/dbraw/zinc/91/77/71/1384917771.db2.gz HERFOHJMIKPKCT-CTWPCTMYSA-N 2 0 346.519 3.281 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3ccc(C)cn3)CC2)CC1 ZINC001173114566 1384917944 /nfs/dbraw/zinc/91/79/44/1384917944.db2.gz PJSLXTHVJBFRAH-UHFFFAOYSA-N 2 0 330.520 3.165 20 0 EGADRP [NH3+]C1(c2ccccc2F)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173126071 1384919450 /nfs/dbraw/zinc/91/94/50/1384919450.db2.gz KLEHQQPFJRREPO-ZDUSSCGKSA-N 2 0 331.460 3.090 20 0 EGADRP c1nc2c(s1)C[C@H]([NH+]1CCC3(CCC[N@H+]3CC3CC3)CC1)CC2 ZINC001173134889 1384921080 /nfs/dbraw/zinc/92/10/80/1384921080.db2.gz UZLMFESMKZMPKZ-MRXNPFEDSA-N 2 0 331.529 3.341 20 0 EGADRP c1nc2c(s1)C[C@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173137899 1384921640 /nfs/dbraw/zinc/92/16/40/1384921640.db2.gz OHTIPPXGJZHIBD-FGTMMUONSA-N 2 0 339.508 3.064 20 0 EGADRP CC1CC(C[N@@H+]2CCCC[C@@H]2CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317170459 1384936905 /nfs/dbraw/zinc/93/69/05/1384936905.db2.gz BITPBRZZPAEMPK-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001317180646 1384956200 /nfs/dbraw/zinc/95/62/00/1384956200.db2.gz LWCJFLXLQKZCBS-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3cccc(Br)c32)C1 ZINC001173361780 1384964410 /nfs/dbraw/zinc/96/44/10/1384964410.db2.gz WWXBCZSYAYJVQW-CYBMUJFWSA-N 2 0 336.277 3.172 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC3(CC[C@H]3[NH+](C)Cc3ccco3)CC2)C1 ZINC001173364968 1384964527 /nfs/dbraw/zinc/96/45/27/1384964527.db2.gz WBAZZDXVFNHDKL-PKOBYXMFSA-N 2 0 331.504 3.050 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH+]1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001173444339 1384972249 /nfs/dbraw/zinc/97/22/49/1384972249.db2.gz UAORMRRQSKGLRV-INIZCTEOSA-N 2 0 348.487 3.067 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CCC(C[NH+](C)C)CC1)CC2 ZINC001173605319 1384986454 /nfs/dbraw/zinc/98/64/54/1384986454.db2.gz BNKNEVWCDXFMAE-AZRLCKCBSA-N 2 0 336.520 3.208 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001173634078 1384992827 /nfs/dbraw/zinc/99/28/27/1384992827.db2.gz OBCBTEGNRCWLCX-MAUKXSAKSA-N 2 0 348.462 3.197 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001173647954 1384995336 /nfs/dbraw/zinc/99/53/36/1384995336.db2.gz CQFRHABIVRPADA-SJLPKXTDSA-N 2 0 336.520 3.495 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001173658607 1384998213 /nfs/dbraw/zinc/99/82/13/1384998213.db2.gz RATSEGCDADJLDP-QAPCUYQASA-N 2 0 340.483 3.007 20 0 EGADRP CC(C)(C)C[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173664515 1384998826 /nfs/dbraw/zinc/99/88/26/1384998826.db2.gz VEEDVOQTIGQGCT-UHFFFAOYSA-N 2 0 335.458 3.113 20 0 EGADRP Cc1ccc(C[NH2+]C2CCC(NC(=O)CCC[NH+](C)C)CC2)cc1C ZINC001317220162 1385000462 /nfs/dbraw/zinc/00/04/62/1385000462.db2.gz KYTRKFLFCGSAMP-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccccc1C[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001317220534 1385000897 /nfs/dbraw/zinc/00/08/97/1385000897.db2.gz CJUYBXHQLXYJIW-MHJFOBGBSA-N 2 0 345.531 3.098 20 0 EGADRP C[C@@H]1CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173678514 1385002658 /nfs/dbraw/zinc/00/26/58/1385002658.db2.gz LRDZALVRBCWNOV-KBXIAJHMSA-N 2 0 325.497 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001174880851 1385164065 /nfs/dbraw/zinc/16/40/65/1385164065.db2.gz IHJPOSULIRMILN-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)C1 ZINC001174881933 1385164632 /nfs/dbraw/zinc/16/46/32/1385164632.db2.gz MTAPYEWUZWBZDU-MOPGFXCFSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174947736 1385173283 /nfs/dbraw/zinc/17/32/83/1385173283.db2.gz DHQATQYQBDWLDM-QZTJIDSGSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)CC[NH+](C)C ZINC001175048370 1385186110 /nfs/dbraw/zinc/18/61/10/1385186110.db2.gz IBFZVHSZAMLZBV-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175055812 1385187176 /nfs/dbraw/zinc/18/71/76/1385187176.db2.gz HRODMEXAVGHZCU-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175055829 1385187315 /nfs/dbraw/zinc/18/73/15/1385187315.db2.gz IACVWPIPPHJAHM-GOSISDBHSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001175057328 1385187433 /nfs/dbraw/zinc/18/74/33/1385187433.db2.gz ZZYHEMUBACBWPE-HZPDHXFCSA-N 2 0 337.483 3.103 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C\c1ccccc1)[NH+](C)C ZINC001317513020 1385226123 /nfs/dbraw/zinc/22/61/23/1385226123.db2.gz RCZOBWXRZVMODE-GJSLFFNZSA-N 2 0 343.515 3.011 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC001175256919 1385230674 /nfs/dbraw/zinc/23/06/74/1385230674.db2.gz QNMBMCIBEYFFGB-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256222 1385230684 /nfs/dbraw/zinc/23/06/84/1385230684.db2.gz JFFNWNCRFUEBFE-DLBZAZTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256809 1385230705 /nfs/dbraw/zinc/23/07/05/1385230705.db2.gz PKLCSEORPUNUKC-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255885 1385230716 /nfs/dbraw/zinc/23/07/16/1385230716.db2.gz IMXLZFUULIENLQ-IRXDYDNUSA-N 2 0 349.494 3.075 20 0 EGADRP CCOc1ccc(F)c(F)c1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001175278470 1385238670 /nfs/dbraw/zinc/23/86/70/1385238670.db2.gz UFWSWEWZNRLGGK-UHFFFAOYSA-N 2 0 348.397 3.254 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295096 1385241876 /nfs/dbraw/zinc/24/18/76/1385241876.db2.gz AGRHUSGCLUNZPU-QGZVFWFLSA-N 2 0 345.547 3.369 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001317530382 1385255275 /nfs/dbraw/zinc/25/52/75/1385255275.db2.gz WXHFQPJAPWSMGD-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC001317544241 1385288371 /nfs/dbraw/zinc/28/83/71/1385288371.db2.gz LGXWFJRMUZRONX-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001317558224 1385331736 /nfs/dbraw/zinc/33/17/36/1385331736.db2.gz DWBWLDSFGDUISN-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001175786132 1385405778 /nfs/dbraw/zinc/40/57/78/1385405778.db2.gz GVBCXHVQCAVDHN-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP Cc1cc(Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc2[nH+]1 ZINC001175807029 1385410355 /nfs/dbraw/zinc/41/03/55/1385410355.db2.gz IZIKRYJUIGEXAR-UHFFFAOYSA-N 2 0 348.450 3.000 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[C@H](C)C1 ZINC001317747419 1385435639 /nfs/dbraw/zinc/43/56/39/1385435639.db2.gz TWBWPVWGUVRTBI-ZGXWSNOMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176022671 1385463397 /nfs/dbraw/zinc/46/33/97/1385463397.db2.gz CKBXAGUTGHZATL-YLJYHZDGSA-N 2 0 345.531 3.280 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)c1ccccc1 ZINC001176120513 1385490116 /nfs/dbraw/zinc/49/01/16/1385490116.db2.gz RGHPIALKNHGUHE-XLIONFOSSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164644 1385499971 /nfs/dbraw/zinc/49/99/71/1385499971.db2.gz CTXVNVQQFVJXPM-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317805127 1385501571 /nfs/dbraw/zinc/50/15/71/1385501571.db2.gz JAVDFFKBSMJCMB-HKUYNNGSSA-N 2 0 345.531 3.236 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184995 1385505127 /nfs/dbraw/zinc/50/51/27/1385505127.db2.gz RDUZGRIMKIZGPT-QWNKOJSDSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2ccc(OC3CC[NH+](C)CC3)cn2)cc1 ZINC001176290308 1385539824 /nfs/dbraw/zinc/53/98/24/1385539824.db2.gz CCNWORIBVLBDAJ-UHFFFAOYSA-N 2 0 340.471 3.360 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001176293198 1385541498 /nfs/dbraw/zinc/54/14/98/1385541498.db2.gz GVBPIKLRBJMHFD-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176318391 1385550204 /nfs/dbraw/zinc/55/02/04/1385550204.db2.gz NEEWMOMVTJXKAE-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001317955094 1385585613 /nfs/dbraw/zinc/58/56/13/1385585613.db2.gz DNQXLKRLPWJRIQ-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317973427 1385594007 /nfs/dbraw/zinc/59/40/07/1385594007.db2.gz XWIKHJOZLJUYNQ-ZCNNSNEGSA-N 2 0 345.531 3.305 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccc(OCC3CC3)c2)CC1 ZINC001176493460 1385605175 /nfs/dbraw/zinc/60/51/75/1385605175.db2.gz RKWHEYYRSNBITB-UHFFFAOYSA-N 2 0 338.455 3.366 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001176591665 1385634505 /nfs/dbraw/zinc/63/45/05/1385634505.db2.gz NUPJEKQIZPBBFM-GOSISDBHSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001176737116 1385676749 /nfs/dbraw/zinc/67/67/49/1385676749.db2.gz IDCRKGMNSXJPCM-LJQANCHMSA-N 2 0 345.531 3.327 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)c1 ZINC001176753672 1385684061 /nfs/dbraw/zinc/68/40/61/1385684061.db2.gz KEBXJVVJBCNQQL-IBGZPJMESA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176754127 1385684154 /nfs/dbraw/zinc/68/41/54/1385684154.db2.gz RCGIGMIGONVQOJ-NRJHKNTJSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176753610 1385684436 /nfs/dbraw/zinc/68/44/36/1385684436.db2.gz IXJAYVYMSPQQCI-QZTJIDSGSA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176754701 1385685146 /nfs/dbraw/zinc/68/51/46/1385685146.db2.gz YLCWXLSBNACNCV-SFHVURJKSA-N 2 0 337.552 3.482 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176759882 1385687056 /nfs/dbraw/zinc/68/70/56/1385687056.db2.gz NPYCXBJJVQYGQE-QUCCMNQESA-N 2 0 345.531 3.326 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001318430281 1385687232 /nfs/dbraw/zinc/68/72/32/1385687232.db2.gz YJDVAEMQUFUQRT-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001176937249 1385748214 /nfs/dbraw/zinc/74/82/14/1385748214.db2.gz HKRULRPIDYMMAM-IBGZPJMESA-N 2 0 345.531 3.336 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001176936879 1385748710 /nfs/dbraw/zinc/74/87/10/1385748710.db2.gz FGXANTCOJIJCQE-OALUTQOASA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001176971521 1385759827 /nfs/dbraw/zinc/75/98/27/1385759827.db2.gz BFYLTSSNBGZANV-KRWDZBQOSA-N 2 0 333.520 3.307 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001176991447 1385766349 /nfs/dbraw/zinc/76/63/49/1385766349.db2.gz BBLORDDQRRJBBG-RBUKOAKNSA-N 2 0 331.504 3.108 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001176992479 1385767624 /nfs/dbraw/zinc/76/76/24/1385767624.db2.gz RACVFKYDEKMHJI-JCRIEJSWSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176997089 1385767883 /nfs/dbraw/zinc/76/78/83/1385767883.db2.gz IKZXUIOJRQAEKQ-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001176999272 1385769097 /nfs/dbraw/zinc/76/90/97/1385769097.db2.gz SKYJXIUUFXIKHB-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001177332290 1385917319 /nfs/dbraw/zinc/91/73/19/1385917319.db2.gz ORNUHEQAORSSGC-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP C[NH+](C)CCC(=O)N(CCC[NH2+]CC1CCCC1)CC1CCCC1 ZINC001177405170 1385944726 /nfs/dbraw/zinc/94/47/26/1385944726.db2.gz HIZLDKVLWDHRQC-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)C1 ZINC001177415716 1385948924 /nfs/dbraw/zinc/94/89/24/1385948924.db2.gz JEYNSIWINLWYBD-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP CC[NH+](CC)CC(=O)N(CCC[NH2+]CC[C@H](C)F)CC1CCCC1 ZINC001177445633 1385959320 /nfs/dbraw/zinc/95/93/20/1385959320.db2.gz MYXPJVYWHCPKMD-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001319208856 1386006803 /nfs/dbraw/zinc/00/68/03/1386006803.db2.gz SCJSIKFQOVFLAL-QGZVFWFLSA-N 2 0 339.483 3.298 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCCC2)c1 ZINC001319389868 1386099643 /nfs/dbraw/zinc/09/96/43/1386099643.db2.gz SHMLBXVEXCKXOC-MJGOQNOKSA-N 2 0 343.515 3.026 20 0 EGADRP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC001178170835 1386148108 /nfs/dbraw/zinc/14/81/08/1386148108.db2.gz NFRJOZBHIZYXGL-VQTJNVASSA-N 2 0 330.516 3.452 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1F ZINC001178294833 1386182317 /nfs/dbraw/zinc/18/23/17/1386182317.db2.gz CGXWORQNOOCZRH-HXUWFJFHSA-N 2 0 342.458 3.381 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001319588200 1386191462 /nfs/dbraw/zinc/19/14/62/1386191462.db2.gz CPXYKEGCBYMDGR-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001319709346 1386263024 /nfs/dbraw/zinc/26/30/24/1386263024.db2.gz ILTXXMWWBFOFIG-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178689731 1386279228 /nfs/dbraw/zinc/27/92/28/1386279228.db2.gz XERKHCXWCKPVEE-YBXURTSQSA-N 2 0 335.536 3.185 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698723 1386282356 /nfs/dbraw/zinc/28/23/56/1386282356.db2.gz RUZKBXKZLBHCTC-IEBWSBKVSA-N 2 0 339.568 3.275 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC001319762935 1386285034 /nfs/dbraw/zinc/28/50/34/1386285034.db2.gz KJJSTAMNKJOQQO-ICSRJNTNSA-N 2 0 327.516 3.497 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001319827633 1386321584 /nfs/dbraw/zinc/32/15/84/1386321584.db2.gz RGRWGXRBENPXBQ-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1c(C(=O)NCCCCCC[NH2+]C/C=C/Cl)ccc2c[nH+]cn21 ZINC001178908520 1386345854 /nfs/dbraw/zinc/34/58/54/1386345854.db2.gz WJSWRFYJYFBDPY-RMKNXTFCSA-N 2 0 348.878 3.275 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001179026102 1386380101 /nfs/dbraw/zinc/38/01/01/1386380101.db2.gz LEUKOUCLGGEKND-UHFFFAOYSA-N 2 0 342.487 3.404 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c1 ZINC001319917133 1386388847 /nfs/dbraw/zinc/38/88/47/1386388847.db2.gz JVMCRAJYWGIALL-XLIONFOSSA-N 2 0 345.531 3.271 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001179133812 1386407196 /nfs/dbraw/zinc/40/71/96/1386407196.db2.gz BDJKKRZZDQOGNU-UHFFFAOYSA-N 2 0 333.520 3.079 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001179134286 1386407541 /nfs/dbraw/zinc/40/75/41/1386407541.db2.gz KPUMTDYVTACISC-UHFFFAOYSA-N 2 0 347.547 3.471 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179383018 1386468378 /nfs/dbraw/zinc/46/83/78/1386468378.db2.gz GBVFLPMSGQHHFU-OALUTQOASA-N 2 0 339.568 3.419 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001179464127 1386488707 /nfs/dbraw/zinc/48/87/07/1386488707.db2.gz NRCWTGHKXBCHLM-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001320086082 1386502639 /nfs/dbraw/zinc/50/26/39/1386502639.db2.gz WHONOWPKSAYFJQ-UHFFFAOYSA-N 2 0 345.531 3.151 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCC(C)C)[C@@H]1C)[NH+](CC)CC ZINC001179525846 1386506069 /nfs/dbraw/zinc/50/60/69/1386506069.db2.gz SERNPURPXZJDIH-OKZBNKHCSA-N 2 0 325.541 3.122 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001179557186 1386513757 /nfs/dbraw/zinc/51/37/57/1386513757.db2.gz CDOPKJXVMDWPPU-JKSUJKDBSA-N 2 0 334.508 3.142 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC1CC(C)C1)[NH+](CC)CC ZINC001179565282 1386515654 /nfs/dbraw/zinc/51/56/54/1386515654.db2.gz OXKICOFVWMOVOM-CTWPCTMYSA-N 2 0 339.568 3.419 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652048 1386540736 /nfs/dbraw/zinc/54/07/36/1386540736.db2.gz MFDCAPUCYFQBPU-FHWLQOOXSA-N 2 0 337.552 3.410 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001179654108 1386541214 /nfs/dbraw/zinc/54/12/14/1386541214.db2.gz DRGHKJZZSONDBW-UXHICEINSA-N 2 0 345.531 3.008 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001320169273 1386545649 /nfs/dbraw/zinc/54/56/49/1386545649.db2.gz CNHCBICJOQFVQI-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179777477 1386581810 /nfs/dbraw/zinc/58/18/10/1386581810.db2.gz XIGREUMPCGPFKA-MRXNPFEDSA-N 2 0 334.508 3.045 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC001320364969 1386589054 /nfs/dbraw/zinc/58/90/54/1386589054.db2.gz SQEPMURKFLRPHR-JKSUJKDBSA-N 2 0 341.499 3.355 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]CC(C)C)[C@@H]1C ZINC001179907989 1386624356 /nfs/dbraw/zinc/62/43/56/1386624356.db2.gz KDQAAJQJOJULSK-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001179976558 1386655416 /nfs/dbraw/zinc/65/54/16/1386655416.db2.gz STROVQDONJLVNW-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001180072383 1386687742 /nfs/dbraw/zinc/68/77/42/1386687742.db2.gz RNEAHXVMOUPZOM-SFHVURJKSA-N 2 0 343.515 3.110 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001180124516 1386704550 /nfs/dbraw/zinc/70/45/50/1386704550.db2.gz YUSIHCYMDHHTDL-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180372842 1386777446 /nfs/dbraw/zinc/77/74/46/1386777446.db2.gz IASCMKBJUKCJPG-ZMBJWTFHSA-N 2 0 337.552 3.483 20 0 EGADRP CSC(C)(C)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001181638389 1387028012 /nfs/dbraw/zinc/02/80/12/1387028012.db2.gz RKRLCPSYYUVTCI-UHFFFAOYSA-N 2 0 349.588 3.268 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001322004151 1387028923 /nfs/dbraw/zinc/02/89/23/1387028923.db2.gz LUWLQNCAGXAEGX-HNAYVOBHSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322025043 1387033707 /nfs/dbraw/zinc/03/37/07/1387033707.db2.gz WDOQCKKLQWQSPR-IRXDYDNUSA-N 2 0 339.483 3.217 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181884996 1387071459 /nfs/dbraw/zinc/07/14/59/1387071459.db2.gz OEDZVQVPQUIKAQ-PBTRAYLESA-N 2 0 337.552 3.147 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC001181997446 1387090589 /nfs/dbraw/zinc/09/05/89/1387090589.db2.gz ZZEIVVGFRADVNQ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001322244662 1387118640 /nfs/dbraw/zinc/11/86/40/1387118640.db2.gz OIHLMIQNUMRUSU-JXFKEZNVSA-N 2 0 341.499 3.117 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001182614768 1387197289 /nfs/dbraw/zinc/19/72/89/1387197289.db2.gz QHYFUTGLFSFZSV-DBXWQHBBSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[NH2+]CCC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001698704079 1406346106 /nfs/dbraw/zinc/34/61/06/1406346106.db2.gz YWSWSYKDXJBQEM-UHFFFAOYSA-N 2 0 345.531 3.031 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)o1 ZINC001322643480 1387218293 /nfs/dbraw/zinc/21/82/93/1387218293.db2.gz PIKIUZJOHAMLKJ-MRXNPFEDSA-N 2 0 327.472 3.445 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001182807333 1387228086 /nfs/dbraw/zinc/22/80/86/1387228086.db2.gz QUCAVSLNZDRKTA-SVFBPWRDSA-N 2 0 349.563 3.290 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001182973351 1387252195 /nfs/dbraw/zinc/25/21/95/1387252195.db2.gz HIZBFINHPZYKLF-DKRLNXSXSA-N 2 0 349.544 3.360 20 0 EGADRP CN(C)c1ncccc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001329496117 1389131630 /nfs/dbraw/zinc/13/16/30/1389131630.db2.gz VDMBPRJWCXMASF-UHFFFAOYSA-N 2 0 338.499 3.423 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cnc1F ZINC001336721022 1389146126 /nfs/dbraw/zinc/14/61/26/1389146126.db2.gz GNEAOBNIQCMKCT-UHFFFAOYSA-N 2 0 343.446 3.294 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc2c(s1)CC[NH2+]C2 ZINC001329924315 1389260904 /nfs/dbraw/zinc/26/09/04/1389260904.db2.gz QSGRLXFHZSSMML-UHFFFAOYSA-N 2 0 341.480 3.242 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1=CCCCC1)[NH+](C)C ZINC001329935935 1389264548 /nfs/dbraw/zinc/26/45/48/1389264548.db2.gz IIMNMMKQYLWMDH-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001698732580 1406382017 /nfs/dbraw/zinc/38/20/17/1406382017.db2.gz YZOPKKOJOUZBEU-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1F ZINC001331417483 1389739883 /nfs/dbraw/zinc/73/98/83/1389739883.db2.gz BKQIKZBSVXRBIX-FUHWJXTLSA-N 2 0 346.421 3.456 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001698749547 1406400397 /nfs/dbraw/zinc/40/03/97/1406400397.db2.gz WCSLRTPJUQXWSN-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C[NH2+]C(C)(C)C)CCCC1)c1ccccc1 ZINC001339020757 1389862177 /nfs/dbraw/zinc/86/21/77/1389862177.db2.gz OLCYMAQWDYJGHE-MRXNPFEDSA-N 2 0 331.504 3.154 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001331818931 1389878132 /nfs/dbraw/zinc/87/81/32/1389878132.db2.gz ACFVDMIFWZUPCH-MISYRCLQSA-N 2 0 343.515 3.192 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001332049798 1389957847 /nfs/dbraw/zinc/95/78/47/1389957847.db2.gz QZSYYMCNMMFUHR-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001332066122 1389964271 /nfs/dbraw/zinc/96/42/71/1389964271.db2.gz VIUDFFUMTKYMJG-JXFKEZNVSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC001332093407 1389979176 /nfs/dbraw/zinc/97/91/76/1389979176.db2.gz JUSRMXWJAJGOKO-DYESRHJHSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H]2C)cs1 ZINC001332183538 1390026027 /nfs/dbraw/zinc/02/60/27/1390026027.db2.gz DDGJMBJRCNZUDA-DOTOQJQBSA-N 2 0 349.544 3.010 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001332220342 1390052350 /nfs/dbraw/zinc/05/23/50/1390052350.db2.gz SSTWPABJJPQYBT-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC001332395422 1390104638 /nfs/dbraw/zinc/10/46/38/1390104638.db2.gz IHPQYHGWRORKBY-HNXYLICVSA-N 2 0 329.669 3.417 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698769303 1406427338 /nfs/dbraw/zinc/42/73/38/1406427338.db2.gz YKRWKUHNOZWYCD-MRXNPFEDSA-N 2 0 347.547 3.123 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@]12CC[NH2+][C@H]1CCCC2)c1ccccc1 ZINC001340220407 1390252734 /nfs/dbraw/zinc/25/27/34/1390252734.db2.gz SKGOSSNFFBJGKQ-DJPFJPOOSA-N 2 0 343.515 3.154 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340242673 1390257716 /nfs/dbraw/zinc/25/77/16/1390257716.db2.gz VZKAOLRPGGYZCK-RTBURBONSA-N 2 0 345.531 3.121 20 0 EGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001333199990 1390265640 /nfs/dbraw/zinc/26/56/40/1390265640.db2.gz NZTLHHFGCQKREV-NJAFHUGGSA-N 2 0 337.552 3.142 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001698777499 1406442649 /nfs/dbraw/zinc/44/26/49/1406442649.db2.gz ZDKGWKLUOJAGTF-RTBURBONSA-N 2 0 345.531 3.130 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC001341585482 1390506780 /nfs/dbraw/zinc/50/67/80/1390506780.db2.gz MYIQDLNYZGPDLE-YOEHRIQHSA-N 2 0 349.544 3.246 20 0 EGADRP C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)CC[NH2+]1 ZINC001341659125 1390515023 /nfs/dbraw/zinc/51/50/23/1390515023.db2.gz MWOICDOAEGTFBB-GDBMZVCRSA-N 2 0 338.455 3.213 20 0 EGADRP COc1ccc(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)nc1 ZINC001335466739 1390687877 /nfs/dbraw/zinc/68/78/77/1390687877.db2.gz PUOFTSDEEGAZGN-MRXNPFEDSA-N 2 0 325.456 3.405 20 0 EGADRP CCC[C@@H](NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001346016333 1390901077 /nfs/dbraw/zinc/90/10/77/1390901077.db2.gz ALCPAHASMPWGCT-LJQANCHMSA-N 2 0 343.515 3.110 20 0 EGADRP CC[NH+](CC)CC[C@@H](NC(=O)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC001346474575 1390943899 /nfs/dbraw/zinc/94/38/99/1390943899.db2.gz ZIARTUJSDGAAQR-UXHICEINSA-N 2 0 339.483 3.276 20 0 EGADRP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001479826885 1392414329 /nfs/dbraw/zinc/41/43/29/1392414329.db2.gz OXPCXYIPKPITFB-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001480333165 1392691954 /nfs/dbraw/zinc/69/19/54/1392691954.db2.gz WAZWLKSEMIBIGI-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001480351403 1392700027 /nfs/dbraw/zinc/70/00/27/1392700027.db2.gz LHIZUJZHYUSXOD-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CCc1cccc(C[NH+](C)[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)c1 ZINC001480740430 1392906984 /nfs/dbraw/zinc/90/69/84/1392906984.db2.gz YZOPGBASOIUEBE-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001481333371 1393165574 /nfs/dbraw/zinc/16/55/74/1393165574.db2.gz CQCXSBBZLUTNNF-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001481340150 1393167643 /nfs/dbraw/zinc/16/76/43/1393167643.db2.gz OTWUEAQTCGHZHA-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC1CCCC1 ZINC001698916711 1406651252 /nfs/dbraw/zinc/65/12/52/1406651252.db2.gz LUHDZUFCKLKSIR-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001490421206 1394223110 /nfs/dbraw/zinc/22/31/10/1394223110.db2.gz IAFQQKJBJXSWMY-PXNSSMCTSA-N 2 0 345.531 3.319 20 0 EGADRP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001490613152 1394282406 /nfs/dbraw/zinc/28/24/06/1394282406.db2.gz XGJHYOWQBDRLOB-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001491126774 1394442978 /nfs/dbraw/zinc/44/29/78/1394442978.db2.gz SQQCHNWFYHCNHD-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001481848217 1394557734 /nfs/dbraw/zinc/55/77/34/1394557734.db2.gz LWSRTGOXRLCAMK-QFBILLFUSA-N 2 0 345.487 3.003 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482381579 1394941281 /nfs/dbraw/zinc/94/12/81/1394941281.db2.gz XRRKPAQARNSACB-AZUAARDMSA-N 2 0 345.531 3.018 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001482954938 1395098313 /nfs/dbraw/zinc/09/83/13/1395098313.db2.gz DDIORIIZLHRWME-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001484718012 1395479310 /nfs/dbraw/zinc/47/93/10/1395479310.db2.gz HBMGRCNHJKXYQK-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC001485040608 1395647356 /nfs/dbraw/zinc/64/73/56/1395647356.db2.gz QQRCANDPDFUTNJ-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001698991765 1406782395 /nfs/dbraw/zinc/78/23/95/1406782395.db2.gz ZZDXNUBONJMKJK-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001485389770 1395879686 /nfs/dbraw/zinc/87/96/86/1395879686.db2.gz VJRAINTZFBXIMS-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[NH2+][C@H](CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001485433590 1395900950 /nfs/dbraw/zinc/90/09/50/1395900950.db2.gz BHZSLEBGYOTAMT-GOSISDBHSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)[NH2+][C@@H](CCN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001485441514 1395909437 /nfs/dbraw/zinc/90/94/37/1395909437.db2.gz OIEIXPHNKNIMDI-IBGZPJMESA-N 2 0 333.520 3.233 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001485531899 1396002105 /nfs/dbraw/zinc/00/21/05/1396002105.db2.gz BGHVVLLAMCXNOK-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H](CN(C)C(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCC1CCCC1 ZINC001485960711 1396174070 /nfs/dbraw/zinc/17/40/70/1396174070.db2.gz KPSXJNZROHTDKF-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001486211715 1396183284 /nfs/dbraw/zinc/18/32/84/1396183284.db2.gz XPUUWXCYPUFLET-WOJBJXKFSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156047 1396387746 /nfs/dbraw/zinc/38/77/46/1396387746.db2.gz FCLWOCPLLMEALX-IAGOWNOFSA-N 2 0 349.494 3.009 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001498114718 1396921600 /nfs/dbraw/zinc/92/16/00/1396921600.db2.gz KXFXHIUJXAGVGU-BXWFABGCSA-N 2 0 333.520 3.306 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001690176676 1404375158 /nfs/dbraw/zinc/37/51/58/1404375158.db2.gz XDJXAQZEYFBMQH-OALUTQOASA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001690469964 1404595116 /nfs/dbraw/zinc/59/51/16/1404595116.db2.gz KGIIGFCJYPYTOV-INIZCTEOSA-N 2 0 337.533 3.050 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690505124 1404617775 /nfs/dbraw/zinc/61/77/75/1404617775.db2.gz OCOYMJMTMMJLNI-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1)C1CCC1 ZINC001690535857 1404625345 /nfs/dbraw/zinc/62/53/45/1404625345.db2.gz RTNWXVMRIURRKN-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001690616516 1404654104 /nfs/dbraw/zinc/65/41/04/1404654104.db2.gz KHKRKNNFQMICHT-SJORKVTESA-N 2 0 345.531 3.307 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001690713902 1404696356 /nfs/dbraw/zinc/69/63/56/1404696356.db2.gz ZDZZIMMGRFBPBM-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC001725179464 1425701918 /nfs/dbraw/zinc/70/19/18/1425701918.db2.gz QYECMYNSOAEFHZ-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690816965 1404751236 /nfs/dbraw/zinc/75/12/36/1404751236.db2.gz HAVVLMRAFSQZNF-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001690947320 1404855576 /nfs/dbraw/zinc/85/55/76/1404855576.db2.gz KYCZXTLXLFXTPV-FXAWDEMLSA-N 2 0 343.515 3.203 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1CCCC(C)(C)C)CC(C)(C)C ZINC001691097350 1405034991 /nfs/dbraw/zinc/03/49/91/1405034991.db2.gz KCXFHAOGVATQKG-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP O=C(NCC[N@H+](CC1CCCC1)C1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001691212845 1405152359 /nfs/dbraw/zinc/15/23/59/1405152359.db2.gz AYKAWVNDHMZMJA-HXUWFJFHSA-N 2 0 347.547 3.164 20 0 EGADRP CCCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001691867333 1405588784 /nfs/dbraw/zinc/58/87/84/1405588784.db2.gz RTHZMYAHMHKCEM-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001698575178 1406183086 /nfs/dbraw/zinc/18/30/86/1406183086.db2.gz SAACOOFHVPDMLF-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001698585158 1406200830 /nfs/dbraw/zinc/20/08/30/1406200830.db2.gz LECJFIDEXJMSBW-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001732055584 1428299234 /nfs/dbraw/zinc/29/92/34/1428299234.db2.gz ZCPRFHHFEWFZID-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001732165010 1428406970 /nfs/dbraw/zinc/40/69/70/1428406970.db2.gz JBXKBTFCAYKPAF-UXHICEINSA-N 2 0 343.515 3.155 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001732347624 1428543635 /nfs/dbraw/zinc/54/36/35/1428543635.db2.gz CIIYHUNASZDQOF-QZTJIDSGSA-N 2 0 343.515 3.026 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCCC(C)(C)C)C3)CC2)CC[N@@H+]1C ZINC001732402242 1428567394 /nfs/dbraw/zinc/56/73/94/1428567394.db2.gz GWIFFRICBUOHGO-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001699380171 1412689074 /nfs/dbraw/zinc/68/90/74/1412689074.db2.gz BBXIPISPAIUWSG-APWZRJJASA-N 2 0 345.531 3.136 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467826 1412838858 /nfs/dbraw/zinc/83/88/58/1412838858.db2.gz OGUUYQDTGUIFST-RTBURBONSA-N 2 0 345.531 3.224 20 0 EGADRP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001732538574 1428687715 /nfs/dbraw/zinc/68/77/15/1428687715.db2.gz AXEVKSOJZBQLRO-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001699677423 1413072350 /nfs/dbraw/zinc/07/23/50/1413072350.db2.gz SCCZGLSGWGMAMQ-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001699825904 1413251107 /nfs/dbraw/zinc/25/11/07/1413251107.db2.gz JZYWEWNYNSQAOG-PZJWPPBQSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001699849512 1413279097 /nfs/dbraw/zinc/27/90/97/1413279097.db2.gz USTXANWAWDWKAX-OXQOHEQNSA-N 2 0 349.494 3.057 20 0 EGADRP CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001700095222 1413509781 /nfs/dbraw/zinc/50/97/81/1413509781.db2.gz UWCCCLPRAIWDLQ-KRWDZBQOSA-N 2 0 345.531 3.485 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001700098110 1413514737 /nfs/dbraw/zinc/51/47/37/1413514737.db2.gz SHXCJTKCXREVMD-IYARVYRRSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)CC1(C)C ZINC001700293241 1413750152 /nfs/dbraw/zinc/75/01/52/1413750152.db2.gz CPXRDGMZULOPCQ-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC(C)(C)C ZINC001700318991 1413782631 /nfs/dbraw/zinc/78/26/31/1413782631.db2.gz XVOBRLBVWNKASL-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001700327534 1413797683 /nfs/dbraw/zinc/79/76/83/1413797683.db2.gz MADQWGMLDHQFAJ-RBUKOAKNSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCCCCC1 ZINC001732566623 1428759581 /nfs/dbraw/zinc/75/95/81/1428759581.db2.gz MLAOEEIPOJAFPC-LJQANCHMSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCC2CCC2)CCC1 ZINC001700526496 1414188594 /nfs/dbraw/zinc/18/85/94/1414188594.db2.gz ZIVYUQQHJQEMAD-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCCc1ccc(C[N@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001732585597 1428798406 /nfs/dbraw/zinc/79/84/06/1428798406.db2.gz SYZZHMKNESZOPD-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001700903661 1414559006 /nfs/dbraw/zinc/55/90/06/1414559006.db2.gz IWXHWABYLJQVJX-RTBURBONSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732964944 1429089424 /nfs/dbraw/zinc/08/94/24/1429089424.db2.gz NKDZREHVUFVMBD-QZTJIDSGSA-N 2 0 345.531 3.354 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CC1CCCCCC1 ZINC001713497426 1418209376 /nfs/dbraw/zinc/20/93/76/1418209376.db2.gz MMENKBQPVCCBDR-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CC1CCC1 ZINC001713546465 1418316473 /nfs/dbraw/zinc/31/64/73/1418316473.db2.gz MTSUTDNQBYUGOQ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccccc21)[NH+](CC)CC ZINC001713633341 1418403065 /nfs/dbraw/zinc/40/30/65/1418403065.db2.gz JDYVNIASYKDSJY-WOJBJXKFSA-N 2 0 345.531 3.232 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CCC)C1 ZINC001713722611 1418497502 /nfs/dbraw/zinc/49/75/02/1418497502.db2.gz QGDJICPXQVLKNS-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001713757753 1418562110 /nfs/dbraw/zinc/56/21/10/1418562110.db2.gz LJIJXIDEHPNDDP-IAGOWNOFSA-N 2 0 349.494 3.009 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CC23CC[NH+](CC2CCCCC2)CC3)CCC1 ZINC001713848319 1418644447 /nfs/dbraw/zinc/64/44/47/1418644447.db2.gz WWOZMOLXQCGMHR-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001714091403 1418885164 /nfs/dbraw/zinc/88/51/64/1418885164.db2.gz HJMUJDPAHUEXCO-FQEVSTJZSA-N 2 0 345.531 3.055 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cc(C)ccc1C ZINC001714125330 1418929958 /nfs/dbraw/zinc/92/99/58/1418929958.db2.gz UFJQTMUVPOWCPG-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](CC)c1ccccc1 ZINC001714140113 1418942409 /nfs/dbraw/zinc/94/24/09/1418942409.db2.gz XFANZKJSOWAZST-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001714146505 1418951553 /nfs/dbraw/zinc/95/15/53/1418951553.db2.gz XJHNBAGNPGGRKK-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC1CCCC1 ZINC001714283183 1419063105 /nfs/dbraw/zinc/06/31/05/1419063105.db2.gz CCHHTWTVAIDJRT-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001714307088 1419087469 /nfs/dbraw/zinc/08/74/69/1419087469.db2.gz RSOCPSHRVCROHM-VAMGGRTRSA-N 2 0 345.531 3.497 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2CC[NH+](CCC3CCCC3)CC2)CCC1 ZINC001714327217 1419105988 /nfs/dbraw/zinc/10/59/88/1419105988.db2.gz OREHBXJNOVDBBW-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001714448321 1419180756 /nfs/dbraw/zinc/18/07/56/1419180756.db2.gz PFJSIWOGMUGPBB-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001714449033 1419181508 /nfs/dbraw/zinc/18/15/08/1419181508.db2.gz XWDJOUBJGBYEES-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)C[N@@H+](C)C3CCC3)CCCC2)cs1 ZINC001714497782 1419222044 /nfs/dbraw/zinc/22/20/44/1419222044.db2.gz ZNSASIQIPXBWQS-UHFFFAOYSA-N 2 0 349.544 3.059 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714762018 1419498275 /nfs/dbraw/zinc/49/82/75/1419498275.db2.gz BMSJVCOEGPCYFG-UYAOXDASSA-N 2 0 345.531 3.367 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714799100 1419514114 /nfs/dbraw/zinc/51/41/14/1419514114.db2.gz NAJRMPPQZBZFIZ-OALUTQOASA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001714829096 1419539196 /nfs/dbraw/zinc/53/91/96/1419539196.db2.gz CMEXBNQPNKOWFW-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714881379 1419618058 /nfs/dbraw/zinc/61/80/58/1419618058.db2.gz AZNRSVNBTWUSEK-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715066858 1419803421 /nfs/dbraw/zinc/80/34/21/1419803421.db2.gz VOWQUMJWACCUSS-QUCCMNQESA-N 2 0 345.531 3.081 20 0 EGADRP C[C@@H](C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1)[NH+]1CCCCCC1 ZINC001715102030 1419842713 /nfs/dbraw/zinc/84/27/13/1419842713.db2.gz BFIYGFBDQQYQHU-XBMUEBEBSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001715122695 1419867727 /nfs/dbraw/zinc/86/77/27/1419867727.db2.gz BJGLMLDFPONKMP-WIYYLYMNSA-N 2 0 349.563 3.317 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001715216584 1419949483 /nfs/dbraw/zinc/94/94/83/1419949483.db2.gz IBQNLMTUQBEFCE-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001715249793 1419975317 /nfs/dbraw/zinc/97/53/17/1419975317.db2.gz AXPYPLVIJZORDM-AZUAARDMSA-N 2 0 345.531 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001715322267 1420029501 /nfs/dbraw/zinc/02/95/01/1420029501.db2.gz QDDXKNXVQDCKHZ-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001715422352 1420114314 /nfs/dbraw/zinc/11/43/14/1420114314.db2.gz PLFOGZDDMZWZPO-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CCC2CC2)CC1 ZINC001715472090 1420151223 /nfs/dbraw/zinc/15/12/23/1420151223.db2.gz TXZCJYXKPYYRAA-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001715481841 1420160953 /nfs/dbraw/zinc/16/09/53/1420160953.db2.gz RKLHBXYVEMAEBJ-UHFFFAOYSA-N 2 0 337.533 3.004 20 0 EGADRP CC1CC(C[N@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001715521357 1420207959 /nfs/dbraw/zinc/20/79/59/1420207959.db2.gz PWLQNKAYQQNKDY-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001715541630 1420239558 /nfs/dbraw/zinc/23/95/58/1420239558.db2.gz AZAKURBALPPRJU-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)c1ccccc1 ZINC001715590201 1420262034 /nfs/dbraw/zinc/26/20/34/1420262034.db2.gz FKYQCMDJAYTQTQ-IEBWSBKVSA-N 2 0 343.515 3.106 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001715976226 1420436180 /nfs/dbraw/zinc/43/61/80/1420436180.db2.gz FARQYHCMICOITD-IBGZPJMESA-N 2 0 345.531 3.178 20 0 EGADRP C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031132 1420489723 /nfs/dbraw/zinc/48/97/23/1420489723.db2.gz RLNPIQWTIFDJDI-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001716072157 1420527998 /nfs/dbraw/zinc/52/79/98/1420527998.db2.gz CLJHDMGZOFSGCO-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001716418318 1420646048 /nfs/dbraw/zinc/64/60/48/1420646048.db2.gz LDBJLKVWXHAISA-SJORKVTESA-N 2 0 347.547 3.481 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716485001 1420703352 /nfs/dbraw/zinc/70/33/52/1420703352.db2.gz LXYFKYGSRPKWOQ-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001716518161 1420747237 /nfs/dbraw/zinc/74/72/37/1420747237.db2.gz LWWBPNSDSRZQPQ-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccccc1C ZINC001716635344 1420793258 /nfs/dbraw/zinc/79/32/58/1420793258.db2.gz BSVDEDPVIOWRSE-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001716723156 1420880696 /nfs/dbraw/zinc/88/06/96/1420880696.db2.gz AFQYSAXVERSHCE-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP O=C(Cc1c[nH]cn1)NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001717003306 1421072589 /nfs/dbraw/zinc/07/25/89/1421072589.db2.gz URTNYBABJQMEKM-IYARVYRRSA-N 2 0 346.519 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001717106532 1421112325 /nfs/dbraw/zinc/11/23/25/1421112325.db2.gz BVJSYLMDAJNVCN-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717125038 1421127247 /nfs/dbraw/zinc/12/72/47/1421127247.db2.gz XITLFFBUVFDWGY-KBAYOESNSA-N 2 0 346.519 3.043 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001717202203 1421170439 /nfs/dbraw/zinc/17/04/39/1421170439.db2.gz OMLUNAHDIQVGCV-UYAOXDASSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccccc1C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717206382 1421177151 /nfs/dbraw/zinc/17/71/51/1421177151.db2.gz IMLJOUKAXJVRSA-HXUWFJFHSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717371314 1421310618 /nfs/dbraw/zinc/31/06/18/1421310618.db2.gz OBSVZLZJIYOMRG-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001717748107 1421610659 /nfs/dbraw/zinc/61/06/59/1421610659.db2.gz ATSVEPGNFJZPOD-KRWDZBQOSA-N 2 0 347.547 3.262 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001717749170 1421611876 /nfs/dbraw/zinc/61/18/76/1421611876.db2.gz XQJPRPMQSCEMHT-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2CC)[C@@H]1C ZINC001717860198 1421672660 /nfs/dbraw/zinc/67/26/60/1421672660.db2.gz IERBHYXZMHHZMS-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001717998873 1421766170 /nfs/dbraw/zinc/76/61/70/1421766170.db2.gz JUMZFXMQIGKVSF-VIQWUECVSA-N 2 0 345.531 3.367 20 0 EGADRP C[N@H+](CCC(=O)NC1(C)CC[NH+](CCC2CC2)CC1)C1CCCCC1 ZINC001733359590 1429542435 /nfs/dbraw/zinc/54/24/35/1429542435.db2.gz HFECKLHHYAMWMI-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCCC2CCCC2)C1 ZINC001733418600 1429623948 /nfs/dbraw/zinc/62/39/48/1429623948.db2.gz XUKWOIFCVBOPFO-NRFANRHFSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001733441048 1429648531 /nfs/dbraw/zinc/64/85/31/1429648531.db2.gz MQWAAZOVQKUGCC-OXQOHEQNSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC001722904623 1424230624 /nfs/dbraw/zinc/23/06/24/1424230624.db2.gz KALIFCLOIVQMLX-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CCCCCC1 ZINC001723639495 1424504388 /nfs/dbraw/zinc/50/43/88/1424504388.db2.gz HRPTWXAJBPMVNX-IBGZPJMESA-N 2 0 337.552 3.410 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001724224435 1424742064 /nfs/dbraw/zinc/74/20/64/1424742064.db2.gz YARHAUWFXUQHEE-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724238467 1424749450 /nfs/dbraw/zinc/74/94/50/1424749450.db2.gz DXGFERCUODEIJC-GHTZIAJQSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001724340536 1424833410 /nfs/dbraw/zinc/83/34/10/1424833410.db2.gz LTUIPFOZTBNFPC-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001724554867 1424910486 /nfs/dbraw/zinc/91/04/86/1424910486.db2.gz NVFQSQQUJGFAIA-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001724615264 1424962499 /nfs/dbraw/zinc/96/24/99/1424962499.db2.gz YODFXXXGQCSYKU-FNLKRUPLSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001724836021 1425183915 /nfs/dbraw/zinc/18/39/15/1425183915.db2.gz LHPBPPTXJRALFZ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001724859499 1425241843 /nfs/dbraw/zinc/24/18/43/1425241843.db2.gz AYCXTHHEJYNDCI-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](CCCC1CCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001725025618 1425443873 /nfs/dbraw/zinc/44/38/73/1425443873.db2.gz HJEFUTMIAXVGAB-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001725197134 1425750586 /nfs/dbraw/zinc/75/05/86/1425750586.db2.gz SGAGUSSJCFALJT-ZWKOTPCHSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCCCF)C2)cc1 ZINC001731354510 1427293844 /nfs/dbraw/zinc/29/38/44/1427293844.db2.gz IMSJDTQBBPMHQS-IBGZPJMESA-N 2 0 349.494 3.082 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001731544087 1427559522 /nfs/dbraw/zinc/55/95/22/1427559522.db2.gz WJIGZHGEOJLVRF-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731549337 1427566739 /nfs/dbraw/zinc/56/67/39/1427566739.db2.gz QFCLFOUVVMEQCF-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731560326 1427595197 /nfs/dbraw/zinc/59/51/97/1427595197.db2.gz VOZCQXGCYMDYGS-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001731646622 1427704278 /nfs/dbraw/zinc/70/42/78/1427704278.db2.gz ZFYXCWNPVAMZTH-INIZCTEOSA-N 2 0 328.460 3.027 20 0 EGADRP CC[C@H](c1ccc(Cl)cc1)[N@H+](CC)CCNC(=O)Cc1c[nH]cn1 ZINC001731812834 1427998626 /nfs/dbraw/zinc/99/86/26/1427998626.db2.gz GLCJRPOWWABOMX-QGZVFWFLSA-N 2 0 348.878 3.195 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731842096 1428064133 /nfs/dbraw/zinc/06/41/33/1428064133.db2.gz NYDLVHZEXIRAOS-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001733762488 1429979089 /nfs/dbraw/zinc/97/90/89/1429979089.db2.gz NXFFJSMPXKINBZ-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1 ZINC001733778871 1430035762 /nfs/dbraw/zinc/03/57/62/1430035762.db2.gz PKLSYKYWMWUADI-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001733936167 1437750199 /nfs/dbraw/zinc/75/01/99/1437750199.db2.gz APIKTNVEFLZEMO-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](CC)c1ccccc1 ZINC001733938712 1437754164 /nfs/dbraw/zinc/75/41/64/1437754164.db2.gz RLULYEMAJQTIJE-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001734121273 1437901677 /nfs/dbraw/zinc/90/16/77/1437901677.db2.gz IMHNPQZAWYKPKJ-IAGOWNOFSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001734356074 1438073369 /nfs/dbraw/zinc/07/33/69/1438073369.db2.gz JGCDAORZBDMDJP-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001752147611 1440146396 /nfs/dbraw/zinc/14/63/96/1440146396.db2.gz VPIAJHMUDKFTAI-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](C(=O)NCCC[N@H+](CC1CC(C)C1)C1CC1)[NH+]1CCCCCC1 ZINC001752279012 1440164354 /nfs/dbraw/zinc/16/43/54/1440164354.db2.gz NSUNZUDNIDSSME-JLAWEPINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001752303582 1440168397 /nfs/dbraw/zinc/16/83/97/1440168397.db2.gz VQVAPJZSWWLVPF-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001752405582 1440173873 /nfs/dbraw/zinc/17/38/73/1440173873.db2.gz XZOAZWGGUMHISS-BBIZLLLXSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001752427003 1440177618 /nfs/dbraw/zinc/17/76/18/1440177618.db2.gz MPXSXECMUMNLAS-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001752440030 1440181120 /nfs/dbraw/zinc/18/11/20/1440181120.db2.gz SNWTWGRYJBJFGF-IEBWSBKVSA-N 2 0 335.536 3.115 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752527710 1440193408 /nfs/dbraw/zinc/19/34/08/1440193408.db2.gz MZMOVFPKSZIKKV-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC001752527668 1440193481 /nfs/dbraw/zinc/19/34/81/1440193481.db2.gz LXMRCUYHRDJDKD-MOPGFXCFSA-N 2 0 345.531 3.260 20 0 EGADRP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001752544756 1440195059 /nfs/dbraw/zinc/19/50/59/1440195059.db2.gz FSXBKWWNOASEMJ-KDURUIRLSA-N 2 0 335.536 3.118 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001752634521 1440197262 /nfs/dbraw/zinc/19/72/62/1440197262.db2.gz NIKYPJWDDMOQND-WKILWMFISA-N 2 0 337.533 3.096 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001752702451 1440201745 /nfs/dbraw/zinc/20/17/45/1440201745.db2.gz KADPLTIHIQCNLH-YQQQUEKLSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001752787996 1440212148 /nfs/dbraw/zinc/21/21/48/1440212148.db2.gz YTJKQIAZXFHSFV-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001752789329 1440213185 /nfs/dbraw/zinc/21/31/85/1440213185.db2.gz YICONCHWFOUABA-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001752809372 1440216386 /nfs/dbraw/zinc/21/63/86/1440216386.db2.gz DSEVJABYIKKMFC-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001752819573 1440219670 /nfs/dbraw/zinc/21/96/70/1440219670.db2.gz YREODOLQMGAMAV-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC(C)(C)C)CC1 ZINC001752819850 1440219740 /nfs/dbraw/zinc/21/97/40/1440219740.db2.gz DLGVLUONLLGGHU-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001752823128 1440221933 /nfs/dbraw/zinc/22/19/33/1440221933.db2.gz VZQJWEKZBVMJBB-RBUKOAKNSA-N 2 0 337.552 3.410 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001752828239 1440224476 /nfs/dbraw/zinc/22/44/76/1440224476.db2.gz SQCXYGLEPITDKR-XSXCZSQGSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001752828478 1440224558 /nfs/dbraw/zinc/22/45/58/1440224558.db2.gz YOIUHYUOQDOUHD-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001752839140 1440229129 /nfs/dbraw/zinc/22/91/29/1440229129.db2.gz BRKBTQTXMXGYIM-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752876999 1440238319 /nfs/dbraw/zinc/23/83/19/1440238319.db2.gz KVSRCNNLEFMFPL-FUHWJXTLSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001752884859 1440239667 /nfs/dbraw/zinc/23/96/67/1440239667.db2.gz HMWNCNTUIDAFDK-ICSRJNTNSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001752884858 1440239732 /nfs/dbraw/zinc/23/97/32/1440239732.db2.gz HMWNCNTUIDAFDK-AZUAARDMSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1c(C(=O)NC[C@H](C)[NH2+]CCC2CCCCC2)ccc2c[nH+]cn21 ZINC001752886104 1440239762 /nfs/dbraw/zinc/23/97/62/1440239762.db2.gz UIZQQDFDUMTGDL-HNNXBMFYSA-N 2 0 342.487 3.321 20 0 EGADRP Cc1c(C(=O)NC[C@@H](C)[NH2+]CCC2CCCCC2)ccc2c[nH+]cn21 ZINC001752886105 1440239786 /nfs/dbraw/zinc/23/97/86/1440239786.db2.gz UIZQQDFDUMTGDL-OAHLLOKOSA-N 2 0 342.487 3.321 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001752902394 1440243349 /nfs/dbraw/zinc/24/33/49/1440243349.db2.gz ALGNWUXVEKUAFJ-QUCCMNQESA-N 2 0 345.531 3.161 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001752962383 1440253545 /nfs/dbraw/zinc/25/35/45/1440253545.db2.gz DJWDBONRKOCAOA-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752978191 1440256529 /nfs/dbraw/zinc/25/65/29/1440256529.db2.gz ZRRVPGZMLFOGQY-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752995157 1440261659 /nfs/dbraw/zinc/26/16/59/1440261659.db2.gz OZGJSGJJTULGPH-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001752996883 1440262464 /nfs/dbraw/zinc/26/24/64/1440262464.db2.gz QHJKKDGGAGVUPU-IEBWSBKVSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([N@H+](C)CCC3=CCCCC3)C2)CC1 ZINC001752997893 1440262899 /nfs/dbraw/zinc/26/28/99/1440262899.db2.gz ZGQKNMCAAWVJGN-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CCCCC1 ZINC001753012786 1440267337 /nfs/dbraw/zinc/26/73/37/1440267337.db2.gz LOITZVUHVVBAAT-AOIWGVFYSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC=C(C)C ZINC001753027191 1440271810 /nfs/dbraw/zinc/27/18/10/1440271810.db2.gz FWGDNKAVKARFDM-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CCC1 ZINC001753028265 1440271906 /nfs/dbraw/zinc/27/19/06/1440271906.db2.gz XZOXJSJETKQVON-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001753033888 1440273889 /nfs/dbraw/zinc/27/38/89/1440273889.db2.gz VJFCMPNPRMTJEO-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753039738 1440275776 /nfs/dbraw/zinc/27/57/76/1440275776.db2.gz JAVSTQWJJCEZIR-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CCCc1ccc(C[N@H+](C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001753074288 1440290310 /nfs/dbraw/zinc/29/03/10/1440290310.db2.gz GLKNPSBMGIDFAZ-ROUUACIJSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)CCC1CCCCCC1 ZINC001753074227 1440290381 /nfs/dbraw/zinc/29/03/81/1440290381.db2.gz DFGLUWNXYHZEMA-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001753075509 1440291089 /nfs/dbraw/zinc/29/10/89/1440291089.db2.gz AGIGXSRENLZUOS-IBGZPJMESA-N 2 0 345.531 3.370 20 0 EGADRP CC/C=C\CC[N@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753084372 1440295340 /nfs/dbraw/zinc/29/53/40/1440295340.db2.gz MVNGQSQLIVMXAS-SREVYHEPSA-N 2 0 328.460 3.051 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753112348 1440308957 /nfs/dbraw/zinc/30/89/57/1440308957.db2.gz AVQAKVUNHVKUEX-XOIGSVRCSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753112346 1440308964 /nfs/dbraw/zinc/30/89/64/1440308964.db2.gz AVQAKVUNHVKUEX-WFRZBGSESA-N 2 0 335.536 3.188 20 0 EGADRP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001753240475 1440342177 /nfs/dbraw/zinc/34/21/77/1440342177.db2.gz UITLQQSCIBITAS-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001753313243 1440357905 /nfs/dbraw/zinc/35/79/05/1440357905.db2.gz WGEOAGKOZCCNML-UXHICEINSA-N 2 0 345.531 3.352 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCC)C1 ZINC001753319605 1440362186 /nfs/dbraw/zinc/36/21/86/1440362186.db2.gz IUURYKDFMWVRRQ-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753328460 1440367707 /nfs/dbraw/zinc/36/77/07/1440367707.db2.gz TWNSNEOXAHSJNY-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753337259 1440372891 /nfs/dbraw/zinc/37/28/91/1440372891.db2.gz JYYISOHGATTZAO-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753354344 1440379233 /nfs/dbraw/zinc/37/92/33/1440379233.db2.gz DRCHPFGXUUUWIP-KDHUBKHVSA-N 2 0 349.563 3.243 20 0 EGADRP CCCCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001753366319 1440385398 /nfs/dbraw/zinc/38/53/98/1440385398.db2.gz VSTJEWXUSTWHHD-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753416703 1440394569 /nfs/dbraw/zinc/39/45/69/1440394569.db2.gz DLVARZIZVNVVOJ-QGZVFWFLSA-N 2 0 345.531 3.092 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001753459487 1440410095 /nfs/dbraw/zinc/41/00/95/1440410095.db2.gz OFMMXTHVOWYULI-UYAOXDASSA-N 2 0 345.531 3.321 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001753460387 1440410170 /nfs/dbraw/zinc/41/01/70/1440410170.db2.gz XCFKWIVRYVFBHG-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001753487252 1440418150 /nfs/dbraw/zinc/41/81/50/1440418150.db2.gz GBOQPTBGPOXTKA-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001753490785 1440419442 /nfs/dbraw/zinc/41/94/42/1440419442.db2.gz FDXRXLYQCHTXLS-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001753522752 1440428791 /nfs/dbraw/zinc/42/87/91/1440428791.db2.gz AUQLSMDOIXLPOC-DYESRHJHSA-N 2 0 345.531 3.191 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001753547925 1440434525 /nfs/dbraw/zinc/43/45/25/1440434525.db2.gz JQYHJXSDVPMWBZ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001753575471 1440439144 /nfs/dbraw/zinc/43/91/44/1440439144.db2.gz IXWXCYRDBQATCF-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001753587650 1440441766 /nfs/dbraw/zinc/44/17/66/1440441766.db2.gz LBKZTUJJRGMUJQ-HPFJUIBNSA-N 2 0 349.563 3.480 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753639489 1440454030 /nfs/dbraw/zinc/45/40/30/1440454030.db2.gz HBEXCBZPAAOILC-PKOBYXMFSA-N 2 0 349.563 3.031 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001753645038 1440455543 /nfs/dbraw/zinc/45/55/43/1440455543.db2.gz QSQRUHBLPIMSTN-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001753665832 1440460177 /nfs/dbraw/zinc/46/01/77/1440460177.db2.gz PDXFLZXMLGSFDZ-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001753671126 1440462096 /nfs/dbraw/zinc/46/20/96/1440462096.db2.gz RLXSPUPJYYGVSQ-QWNKOJSDSA-N 2 0 335.536 3.236 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001753671319 1440462155 /nfs/dbraw/zinc/46/21/55/1440462155.db2.gz VJQQIAIHZKPMMB-CALCHBBNSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c(C)c1C ZINC001753710831 1440470655 /nfs/dbraw/zinc/47/06/55/1440470655.db2.gz IUIKXCQIJMCCLR-AWEZNQCLSA-N 2 0 347.547 3.117 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001753726076 1440474512 /nfs/dbraw/zinc/47/45/12/1440474512.db2.gz MAHIJFDRVJSDQE-MJGOQNOKSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001753729339 1440475347 /nfs/dbraw/zinc/47/53/47/1440475347.db2.gz KXZDVDOBMBSSPV-QGZVFWFLSA-N 2 0 341.499 3.117 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001753745712 1440480893 /nfs/dbraw/zinc/48/08/93/1440480893.db2.gz IMKAWSACNPROOH-MOPGFXCFSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001753755931 1440483071 /nfs/dbraw/zinc/48/30/71/1440483071.db2.gz XVBBTIGPXBXTIR-PWBPZBFBSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1F ZINC001753797947 1440490259 /nfs/dbraw/zinc/49/02/59/1440490259.db2.gz OVUQVTJLWBWEQI-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753809829 1440492519 /nfs/dbraw/zinc/49/25/19/1440492519.db2.gz RILLLLOZYHUFOY-YKMDAGRBSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753810950 1440492732 /nfs/dbraw/zinc/49/27/32/1440492732.db2.gz CWRVHKZISILEBI-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001753811947 1440492936 /nfs/dbraw/zinc/49/29/36/1440492936.db2.gz BWHPMBRRIKSENG-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC(C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001753858963 1440510456 /nfs/dbraw/zinc/51/04/56/1440510456.db2.gz XRIOWSUMCAKYHV-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001753903430 1440523764 /nfs/dbraw/zinc/52/37/64/1440523764.db2.gz XIBRCJVPANXDLR-OALUTQOASA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754120362 1440542727 /nfs/dbraw/zinc/54/27/27/1440542727.db2.gz SCAWZIJEYMFHQK-HLIGJIKWSA-N 2 0 347.478 3.022 20 0 EGADRP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001754173353 1440547327 /nfs/dbraw/zinc/54/73/27/1440547327.db2.gz LUVWEBAJKQYZDS-WNEUIUNWSA-N 2 0 349.906 3.005 20 0 EGADRP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cs1 ZINC001754179096 1440548006 /nfs/dbraw/zinc/54/80/06/1440548006.db2.gz AIWZMZFCRVMIQW-QWNKOJSDSA-N 2 0 349.544 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001754228494 1440553744 /nfs/dbraw/zinc/55/37/44/1440553744.db2.gz KCGOGSVAWIEMND-UZLBHIALSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754312863 1440574003 /nfs/dbraw/zinc/57/40/03/1440574003.db2.gz JVZWYXMTYGFFMB-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754314190 1440574689 /nfs/dbraw/zinc/57/46/89/1440574689.db2.gz MMISXTKZDHDIKV-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001754374060 1440592880 /nfs/dbraw/zinc/59/28/80/1440592880.db2.gz VQSKFPNPFLCZBD-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C)cc1 ZINC001754470811 1440605298 /nfs/dbraw/zinc/60/52/98/1440605298.db2.gz QZSLUFBBDYWPPR-PMACEKPBSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001754470914 1440605475 /nfs/dbraw/zinc/60/54/75/1440605475.db2.gz SIZWXIDXIIWZHE-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001754487863 1440608981 /nfs/dbraw/zinc/60/89/81/1440608981.db2.gz RHENTDJDKFVRMM-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP CN(C(=O)CCCC[NH+]1CCCC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001754587907 1440640204 /nfs/dbraw/zinc/64/02/04/1440640204.db2.gz DPIWIXSMXAGLGL-UHFFFAOYSA-N 2 0 347.547 3.286 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001754604152 1440642914 /nfs/dbraw/zinc/64/29/14/1440642914.db2.gz SKDFPUQDLYHUIQ-WFRZBGSESA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001754622086 1440645489 /nfs/dbraw/zinc/64/54/89/1440645489.db2.gz DYDNLXKPJKNMQF-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCC1 ZINC001754651726 1440652107 /nfs/dbraw/zinc/65/21/07/1440652107.db2.gz SWGKDTGXBRJUCS-GOSISDBHSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001754682797 1440663437 /nfs/dbraw/zinc/66/34/37/1440663437.db2.gz FHNVSFVNSYCLOZ-OXQOHEQNSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001754700441 1440667920 /nfs/dbraw/zinc/66/79/20/1440667920.db2.gz YJXDPORREUFZRP-AZUAARDMSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)NCC1(C)CC[NH+](CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001754718214 1440672160 /nfs/dbraw/zinc/67/21/60/1440672160.db2.gz UCUVVGHPRNIGOY-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754727476 1440677307 /nfs/dbraw/zinc/67/73/07/1440677307.db2.gz MLBIJFOIVJIYNF-WIYYLYMNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCCC(C)C)CC[N@@H+]1C ZINC001754864226 1440702112 /nfs/dbraw/zinc/70/21/12/1440702112.db2.gz AFURHDZLOWTFMA-YRPNKDGESA-N 2 0 349.563 3.218 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001754867888 1440703598 /nfs/dbraw/zinc/70/35/98/1440703598.db2.gz HKELHKCNUGUGJM-YZBXUTEPSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001754935608 1440711203 /nfs/dbraw/zinc/71/12/03/1440711203.db2.gz NEEWJLITFZPDAA-IBGZPJMESA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001754942527 1440712014 /nfs/dbraw/zinc/71/20/14/1440712014.db2.gz JYJWZYWQIUHUGX-UYAOXDASSA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001754947688 1440713768 /nfs/dbraw/zinc/71/37/68/1440713768.db2.gz QZCRXSWDLDSTSE-INIZCTEOSA-N 2 0 331.504 3.094 20 0 EGADRP CC1CCC(C[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC2)CC1 ZINC001754982170 1440721588 /nfs/dbraw/zinc/72/15/88/1440721588.db2.gz QJXCKUHDXSJHHE-CTWPCTMYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755042118 1440738091 /nfs/dbraw/zinc/73/80/91/1440738091.db2.gz UNFSOGNJQAGFHV-HXUWFJFHSA-N 2 0 345.531 3.260 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+](CCC3CC3)C2)C1 ZINC001755048079 1440742537 /nfs/dbraw/zinc/74/25/37/1440742537.db2.gz UANPDZPSGTXCPJ-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001755071061 1440746553 /nfs/dbraw/zinc/74/65/53/1440746553.db2.gz GIEJJZIWUINWII-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755072729 1440747112 /nfs/dbraw/zinc/74/71/12/1440747112.db2.gz REFCBNIHQDCMEL-MRXNPFEDSA-N 2 0 343.531 3.073 20 0 EGADRP CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001755073372 1440747525 /nfs/dbraw/zinc/74/75/25/1440747525.db2.gz RHUMZGUBGFJHLT-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001755135738 1440758153 /nfs/dbraw/zinc/75/81/53/1440758153.db2.gz BTLQNEBVPNYVIO-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755197625 1440777682 /nfs/dbraw/zinc/77/76/82/1440777682.db2.gz YNDTXAVSRGMGLU-MJRGOJFPSA-N 2 0 335.536 3.140 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccsc2)ccc2c[nH+]cn21 ZINC001755241657 1440789524 /nfs/dbraw/zinc/78/95/24/1440789524.db2.gz FXRYFZCUAAJFFA-OLZOCXBDSA-N 2 0 342.468 3.001 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001755262500 1440794938 /nfs/dbraw/zinc/79/49/38/1440794938.db2.gz KXVLYWHUBOQXSS-IRXDYDNUSA-N 2 0 341.499 3.164 20 0 EGADRP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001755275337 1440798734 /nfs/dbraw/zinc/79/87/34/1440798734.db2.gz UELIFBDHBJRLSX-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCCC1 ZINC001755301384 1440808599 /nfs/dbraw/zinc/80/85/99/1440808599.db2.gz KTSVMOQXQCIWAQ-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC001755320113 1440818030 /nfs/dbraw/zinc/81/80/30/1440818030.db2.gz NTBJJAMMGVIRQA-IRXDYDNUSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001755342991 1440825887 /nfs/dbraw/zinc/82/58/87/1440825887.db2.gz ONSLDHVOXJOJCW-VQTJNVASSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001755363798 1440833350 /nfs/dbraw/zinc/83/33/50/1440833350.db2.gz MZORLAMDMZAYIG-CEXWTWQISA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001755367026 1440835250 /nfs/dbraw/zinc/83/52/50/1440835250.db2.gz BBXOPXVAJABKHU-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001755367831 1440835789 /nfs/dbraw/zinc/83/57/89/1440835789.db2.gz JARHCZDTVMHIES-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001755368934 1440836520 /nfs/dbraw/zinc/83/65/20/1440836520.db2.gz YFLGPXYHRBYMKR-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC3=CCCCC3)C[C@@H]2C1 ZINC001755451426 1440853677 /nfs/dbraw/zinc/85/36/77/1440853677.db2.gz FZKUJYLTYYBQHW-HSALFYBXSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001755478982 1440859719 /nfs/dbraw/zinc/85/97/19/1440859719.db2.gz XDCAQTDNOVRPRL-QAQDUYKDSA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001755479246 1440859866 /nfs/dbraw/zinc/85/98/66/1440859866.db2.gz GKGCAWCFLPTNIT-KZNAEPCWSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001755531834 1440867715 /nfs/dbraw/zinc/86/77/15/1440867715.db2.gz CLRPGTQNZAADFL-HKUYNNGSSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)=CC[NH2+][C@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001755549697 1440871555 /nfs/dbraw/zinc/87/15/55/1440871555.db2.gz ZRLQSDBPLRETJR-GOSISDBHSA-N 2 0 337.552 3.338 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755587949 1440880652 /nfs/dbraw/zinc/88/06/52/1440880652.db2.gz NTAVULRMHNXMFH-HKUYNNGSSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC001755590078 1440881267 /nfs/dbraw/zinc/88/12/67/1440881267.db2.gz HHJUMHYAAIVUIG-QGZVFWFLSA-N 2 0 345.531 3.231 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001755601446 1440884209 /nfs/dbraw/zinc/88/42/09/1440884209.db2.gz DLNAVQFWSCSHFE-MAUKXSAKSA-N 2 0 349.494 3.055 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001755619069 1440890014 /nfs/dbraw/zinc/89/00/14/1440890014.db2.gz TXJYLPNHUXJCEO-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CCCC[NH+](C)C ZINC001755689447 1440896411 /nfs/dbraw/zinc/89/64/11/1440896411.db2.gz PATJKBPCWVBQIC-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001755699518 1440899338 /nfs/dbraw/zinc/89/93/38/1440899338.db2.gz BYWJXQMBVCBBFU-NSHGMRRFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755712181 1440903976 /nfs/dbraw/zinc/90/39/76/1440903976.db2.gz KWWOQPZXTNTPRR-XUVXKRRUSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)N(CC[N@H+](C)CC1CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001755812120 1440920777 /nfs/dbraw/zinc/92/07/77/1440920777.db2.gz JEZBRPRJLJIGCW-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001755828500 1440927935 /nfs/dbraw/zinc/92/79/35/1440927935.db2.gz JRLJLLXRUNFKBB-SFHVURJKSA-N 2 0 339.568 3.418 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001755836068 1440930270 /nfs/dbraw/zinc/93/02/70/1440930270.db2.gz MFOGHCQVWZXYRX-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001755843858 1440932522 /nfs/dbraw/zinc/93/25/22/1440932522.db2.gz XWOXJLOYHIHMSF-FUTAKVPZSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001755858714 1440936283 /nfs/dbraw/zinc/93/62/83/1440936283.db2.gz ORGPEDSPGCAIKU-OLFFVLKBSA-N 2 0 335.536 3.042 20 0 EGADRP Cc1c[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc1C ZINC001164859507 721008324 /nfs/dbraw/zinc/00/83/24/721008324.db2.gz IUFJJFPGRGHEKI-MRXNPFEDSA-N 2 0 327.476 3.316 20 0 EGADRP Clc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)c2c(n1)C[NH2+]CC2 ZINC001165047987 721974601 /nfs/dbraw/zinc/97/46/01/721974601.db2.gz HYPUKWSCQBIHCF-HNNXBMFYSA-N 2 0 348.922 3.226 20 0 EGADRP Cn1ncc2c1CCC[C@H]2[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125537888 222575007 /nfs/dbraw/zinc/57/50/07/222575007.db2.gz VSFLJJZNIJUZMZ-GOSISDBHSA-N 2 0 344.528 3.361 20 0 EGADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368329278 168343224 /nfs/dbraw/zinc/34/32/24/168343224.db2.gz CMGONXMNQXVUIA-KRWDZBQOSA-N 2 0 333.495 3.236 20 0 EGADRP C[N@H+](C[C@H](O)Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977818 529961651 /nfs/dbraw/zinc/96/16/51/529961651.db2.gz AZUPXUYNUSYJOA-FGZHOGPDSA-N 2 0 338.495 3.044 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000174451185 530008135 /nfs/dbraw/zinc/00/81/35/530008135.db2.gz SNSIUHIDQZQAIH-UHFFFAOYSA-N 2 0 340.423 3.287 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2CC)cc1)C(C)C ZINC000101631676 219147382 /nfs/dbraw/zinc/14/73/82/219147382.db2.gz BKZOJKXPXBPFQW-LJQANCHMSA-N 2 0 331.504 3.131 20 0 EGADRP COCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000178157439 232096984 /nfs/dbraw/zinc/09/69/84/232096984.db2.gz DEQBNIAAMLWXIO-QGZVFWFLSA-N 2 0 334.504 3.312 20 0 EGADRP C[N@H+](CCNC1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000103716352 219320795 /nfs/dbraw/zinc/32/07/95/219320795.db2.gz UXATXZBZEWBXEQ-UHFFFAOYSA-N 2 0 329.532 3.158 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180994881 234055262 /nfs/dbraw/zinc/05/52/62/234055262.db2.gz QXMNOZIVIWPOLB-UHFFFAOYSA-N 2 0 343.471 3.188 20 0 EGADRP Cc1cccc(CCC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000181042334 234069154 /nfs/dbraw/zinc/06/91/54/234069154.db2.gz ZBERNXJTHOTWAK-OYRHEFFESA-N 2 0 343.559 3.418 20 0 EGADRP C[C@H]1CSCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000190845056 291014227 /nfs/dbraw/zinc/01/42/27/291014227.db2.gz YRETWCXXUQXTOM-QGZVFWFLSA-N 2 0 347.572 3.402 20 0 EGADRP CSc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000186568396 235944225 /nfs/dbraw/zinc/94/42/25/235944225.db2.gz JCDQSFBNUSIUDK-GJZGRUSLSA-N 2 0 339.524 3.224 20 0 EGADRP CN1c2ccc(C[NH+]3CCC(CCC[NH+](C)C)CC3)cc2CCC1=O ZINC000187037467 236101294 /nfs/dbraw/zinc/10/12/94/236101294.db2.gz YPJMJQMBRHAMJK-UHFFFAOYSA-N 2 0 343.515 3.149 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748458 549326357 /nfs/dbraw/zinc/32/63/57/549326357.db2.gz NXVLDNXUUXXUSU-UXHICEINSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1n1ccnc1 ZINC000193257467 240080082 /nfs/dbraw/zinc/08/00/82/240080082.db2.gz RFYKWTLUKBMHOZ-APWZRJJASA-N 2 0 325.456 3.334 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133024340 223382213 /nfs/dbraw/zinc/38/22/13/223382213.db2.gz JGVREPBHBBFIHH-KURKYZTESA-N 2 0 346.515 3.278 20 0 EGADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133113577 223389467 /nfs/dbraw/zinc/38/94/67/223389467.db2.gz PUWPNMULWXZCFZ-KUHUBIRLSA-N 2 0 334.891 3.418 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000262650021 245094524 /nfs/dbraw/zinc/09/45/24/245094524.db2.gz KZWVXLNMZPBVTO-HXUWFJFHSA-N 2 0 337.467 3.272 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000264197594 246169526 /nfs/dbraw/zinc/16/95/26/246169526.db2.gz OVZHBNSGOGEJHU-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000264183478 246152769 /nfs/dbraw/zinc/15/27/69/246152769.db2.gz AAPJNCJXQYPFOJ-HXUWFJFHSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](c1ccncc1)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091988516 296243525 /nfs/dbraw/zinc/24/35/25/296243525.db2.gz RZHDRYBFPVUUCM-ROUUACIJSA-N 2 0 342.487 3.179 20 0 EGADRP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000266018055 248034590 /nfs/dbraw/zinc/03/45/90/248034590.db2.gz QULSYRJYWRSAEI-HXUWFJFHSA-N 2 0 339.483 3.434 20 0 EGADRP CCOC(=O)CCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266591382 248374494 /nfs/dbraw/zinc/37/44/94/248374494.db2.gz ULJANXKLFLALNQ-IBGZPJMESA-N 2 0 332.488 3.174 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Oc4cnccn4)cc3)CC[C@@H]21 ZINC000092043606 218109164 /nfs/dbraw/zinc/10/91/64/218109164.db2.gz HBRKIHWMMSKADB-MJGOQNOKSA-N 2 0 338.455 3.185 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1N(C)C ZINC000093943569 218258070 /nfs/dbraw/zinc/25/80/70/218258070.db2.gz VRXZQMCTKGWGSE-KSZLIROESA-N 2 0 333.520 3.293 20 0 EGADRP Cc1ccc([C@H](CNC2CC[NH+](CC3CC3)CC2)[NH+]2CCCC2)o1 ZINC000095421553 218363338 /nfs/dbraw/zinc/36/33/38/218363338.db2.gz FMQUBWMYWKYUCU-IBGZPJMESA-N 2 0 331.504 3.189 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000268720211 252170918 /nfs/dbraw/zinc/17/09/18/252170918.db2.gz HYJXBXDCCLJCDC-HNNXBMFYSA-N 2 0 334.508 3.455 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000268804445 252256389 /nfs/dbraw/zinc/25/63/89/252256389.db2.gz ZZBCNWCXTMTDER-CWJKEVGVSA-N 2 0 327.516 3.256 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000268867977 252317189 /nfs/dbraw/zinc/31/71/89/252317189.db2.gz AIZCMVXQSJJKFM-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000129069356 533174209 /nfs/dbraw/zinc/17/42/09/533174209.db2.gz ASKZVHBYWPIUHV-WCQYABFASA-N 2 0 327.266 3.250 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc2cccnc21 ZINC000349065425 285250991 /nfs/dbraw/zinc/25/09/91/285250991.db2.gz ZSXFNZQPDWBFKD-HXUWFJFHSA-N 2 0 340.515 3.083 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000269047121 255519926 /nfs/dbraw/zinc/51/99/26/255519926.db2.gz VCVGBPPCUFHLII-UONOGXRCSA-N 2 0 348.409 3.245 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000360659079 285313534 /nfs/dbraw/zinc/31/35/34/285313534.db2.gz WQYWQMTUMUZCCM-NJYVYQBISA-N 2 0 343.515 3.280 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000119033473 221228407 /nfs/dbraw/zinc/22/84/07/221228407.db2.gz OYOJPNWKEYSUGR-IMFGXOCKSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1csc(Cl)c1 ZINC000191267330 533367727 /nfs/dbraw/zinc/36/77/27/533367727.db2.gz GQBWUALWVVZIJU-CYBMUJFWSA-N 2 0 329.941 3.326 20 0 EGADRP C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCCC[NH2+]1 ZINC000237594035 141009035 /nfs/dbraw/zinc/00/90/35/141009035.db2.gz NQNSXZRKGKLVIJ-NRFANRHFSA-N 2 0 343.515 3.211 20 0 EGADRP C[C@H](CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237635451 141011676 /nfs/dbraw/zinc/01/16/76/141011676.db2.gz SLBMYXCBMZAJFA-WSTZPKSXSA-N 2 0 345.531 3.039 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000246944719 141045328 /nfs/dbraw/zinc/04/53/28/141045328.db2.gz HWYSBOXSHRURGO-MSOLQXFVSA-N 2 0 334.504 3.483 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000348021936 141233536 /nfs/dbraw/zinc/23/35/36/141233536.db2.gz QHTIJXCGSWDTAR-YLJYHZDGSA-N 2 0 345.531 3.156 20 0 EGADRP CN(C)[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000353454609 141299346 /nfs/dbraw/zinc/29/93/46/141299346.db2.gz KUBMLDNOQVQXJQ-XVAXZDLZSA-N 2 0 329.532 3.359 20 0 EGADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000356829752 141350340 /nfs/dbraw/zinc/35/03/40/141350340.db2.gz AMMRJPAWCIRXFV-KRWDZBQOSA-N 2 0 339.483 3.327 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950896 144082393 /nfs/dbraw/zinc/08/23/93/144082393.db2.gz ZLWFSCHYEKYSDD-QUCCMNQESA-N 2 0 344.547 3.004 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[N@@H+]1C ZINC000344635436 144202824 /nfs/dbraw/zinc/20/28/24/144202824.db2.gz TUCSLOYINCWCRH-HIFRSBDPSA-N 2 0 332.879 3.313 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[N@@H+]1C ZINC000344686481 144209969 /nfs/dbraw/zinc/20/99/69/144209969.db2.gz SEIKGKXKKLBJPU-LPHOPBHVSA-N 2 0 325.456 3.233 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000347034527 144251647 /nfs/dbraw/zinc/25/16/47/144251647.db2.gz BXPONBZQEMSWJH-OAHLLOKOSA-N 2 0 349.494 3.073 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000351227245 144260348 /nfs/dbraw/zinc/26/03/48/144260348.db2.gz NNSYTGNBZGXZIH-GOSISDBHSA-N 2 0 333.520 3.106 20 0 EGADRP CC(C)CO[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000119846082 152232281 /nfs/dbraw/zinc/23/22/81/152232281.db2.gz FWMYYBYNFJGQAI-VGIQHARFSA-N 2 0 338.536 3.036 20 0 EGADRP COC(=O)c1coc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121765935 152369527 /nfs/dbraw/zinc/36/95/27/152369527.db2.gz BQSRVQKUPUHMEJ-UHFFFAOYSA-N 2 0 334.460 3.154 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(CC)CC ZINC000353606322 286384811 /nfs/dbraw/zinc/38/48/11/286384811.db2.gz DQJRSEFDCCOGTQ-JKSUJKDBSA-N 2 0 328.566 3.387 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261783089 153723973 /nfs/dbraw/zinc/72/39/73/153723973.db2.gz XZYJPAKZZOIABZ-IBGZPJMESA-N 2 0 330.472 3.252 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000302942675 154031626 /nfs/dbraw/zinc/03/16/26/154031626.db2.gz JRMNERMROAAVEZ-QGZVFWFLSA-N 2 0 329.513 3.217 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000305145566 154086544 /nfs/dbraw/zinc/08/65/44/154086544.db2.gz RQPGDAPRHVIITR-WBVHZDCISA-N 2 0 338.492 3.189 20 0 EGADRP CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000337340928 154294466 /nfs/dbraw/zinc/29/44/66/154294466.db2.gz PVNNCRHUGVUMIG-CVEARBPZSA-N 2 0 337.483 3.042 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000343045492 155624165 /nfs/dbraw/zinc/62/41/65/155624165.db2.gz MMHVAFOHODPTJV-QGZVFWFLSA-N 2 0 331.504 3.092 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]12 ZINC000346828916 156155615 /nfs/dbraw/zinc/15/56/15/156155615.db2.gz NQUGMRQRMIUMHF-BHIYHBOVSA-N 2 0 332.451 3.195 20 0 EGADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OC(C)C ZINC000347030613 156256703 /nfs/dbraw/zinc/25/67/03/156256703.db2.gz XJUIIWMDNZWXDA-SFHVURJKSA-N 2 0 332.488 3.446 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc2cc[nH]c21 ZINC000349060058 156337279 /nfs/dbraw/zinc/33/72/79/156337279.db2.gz FAELKSPBDTUBAI-LJQANCHMSA-N 2 0 328.504 3.016 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(CC)CC ZINC000353606318 286539189 /nfs/dbraw/zinc/53/91/89/286539189.db2.gz DQJRSEFDCCOGTQ-HOTGVXAUSA-N 2 0 328.566 3.387 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000111070839 162144002 /nfs/dbraw/zinc/14/40/02/162144002.db2.gz GSERKUVZORUTRC-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP O=C(NC1CC1)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111374855 162153069 /nfs/dbraw/zinc/15/30/69/162153069.db2.gz IUZMDDYWUOLVQL-HXUWFJFHSA-N 2 0 343.515 3.252 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125465902 162273883 /nfs/dbraw/zinc/27/38/83/162273883.db2.gz VYQPNRQNOZBJID-VQIMIIECSA-N 3 0 335.561 3.280 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000248824854 163036450 /nfs/dbraw/zinc/03/64/50/163036450.db2.gz ZWVKHCAQHBOWME-JSXRDJHFSA-N 2 0 340.511 3.098 20 0 EGADRP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC000248995628 163050900 /nfs/dbraw/zinc/05/09/00/163050900.db2.gz OXUBBIYHNBLJFJ-VWWARQNISA-N 2 0 327.516 3.254 20 0 EGADRP CCC[C@H](C)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000337244031 163177182 /nfs/dbraw/zinc/17/71/82/163177182.db2.gz HQDWMTVEALAYGK-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccc21 ZINC000338780965 163347373 /nfs/dbraw/zinc/34/73/73/163347373.db2.gz OTOOYSDIKBXZGK-RTBURBONSA-N 2 0 344.499 3.490 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000338796291 163351343 /nfs/dbraw/zinc/35/13/43/163351343.db2.gz GDUQQMRJIDRBHO-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000354379188 166013322 /nfs/dbraw/zinc/01/33/22/166013322.db2.gz DXXUIAMHOVVOBT-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCCOC(C)(C)C)CC2)CC1 ZINC000354706436 166014880 /nfs/dbraw/zinc/01/48/80/166014880.db2.gz LLTROUZXZVCOIF-UHFFFAOYSA-N 2 0 339.568 3.072 20 0 EGADRP CC(C)[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000354786700 166031277 /nfs/dbraw/zinc/03/12/77/166031277.db2.gz PPCVEIKVLHZFMA-LJQANCHMSA-N 2 0 347.503 3.076 20 0 EGADRP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000343753944 164026676 /nfs/dbraw/zinc/02/66/76/164026676.db2.gz VCEFTQRHGARSNL-ZIAGYGMSSA-N 2 0 344.425 3.103 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)c1ccccc1 ZINC000343801429 164037953 /nfs/dbraw/zinc/03/79/53/164037953.db2.gz IWQLOWUBBPLQBB-CUWPLCDZSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1C ZINC000343924840 164066672 /nfs/dbraw/zinc/06/66/72/164066672.db2.gz HXSIUJKOQHFMCI-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C1(C)C ZINC000344082120 164099651 /nfs/dbraw/zinc/09/96/51/164099651.db2.gz YWGLAOXXMNUDPU-RTBURBONSA-N 2 0 334.504 3.310 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000344124460 164109369 /nfs/dbraw/zinc/10/93/69/164109369.db2.gz WYIOAKSUIVJYTJ-SFHVURJKSA-N 2 0 345.874 3.453 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344164140 164117724 /nfs/dbraw/zinc/11/77/24/164117724.db2.gz IABYUHDIKCCNJH-JXFKEZNVSA-N 2 0 333.495 3.066 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000345763020 164261339 /nfs/dbraw/zinc/26/13/39/164261339.db2.gz ALNRSAAYEVAXPU-QGZVFWFLSA-N 2 0 339.483 3.442 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000345980192 164308615 /nfs/dbraw/zinc/30/86/15/164308615.db2.gz QPRHHMCDQRDMAN-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP CCOc1c(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)nn1CC(C)C ZINC000350143049 165010389 /nfs/dbraw/zinc/01/03/89/165010389.db2.gz LLPBDIRIKXLRSU-UHFFFAOYSA-N 2 0 336.524 3.020 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000350674973 165067107 /nfs/dbraw/zinc/06/71/07/165067107.db2.gz FOKQEDHSCGJQCX-MOPGFXCFSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1[nH]nc2ncc(C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000352075684 165221795 /nfs/dbraw/zinc/22/17/95/165221795.db2.gz FILZMGXZRLZOLF-DNVCBOLYSA-N 2 0 349.482 3.267 20 0 EGADRP CSC1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC[NH+](C)CC1 ZINC000353222842 165682127 /nfs/dbraw/zinc/68/21/27/165682127.db2.gz RBZQBOSHTKUVGX-UHFFFAOYSA-N 2 0 336.530 3.055 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000353759509 165883342 /nfs/dbraw/zinc/88/33/42/165883342.db2.gz YHDMUNGEUWZARV-OAQYLSRUSA-N 2 0 343.515 3.289 20 0 EGADRP Brc1csc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357043481 166570903 /nfs/dbraw/zinc/57/09/03/166570903.db2.gz GINDXDDRONARNS-LBPRGKRZSA-N 2 0 329.307 3.332 20 0 EGADRP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000359054598 167052129 /nfs/dbraw/zinc/05/21/29/167052129.db2.gz KYENQVJFAVWYRX-IVAOSVALSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359118967 167071757 /nfs/dbraw/zinc/07/17/57/167071757.db2.gz WKJAXTQKMBPLNY-DYXWJJEUSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359118980 167071857 /nfs/dbraw/zinc/07/18/57/167071857.db2.gz WKJAXTQKMBPLNY-SFHLNBCPSA-N 2 0 329.532 3.361 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000359249052 167105982 /nfs/dbraw/zinc/10/59/82/167105982.db2.gz UZOIYKMGOZUQEJ-MOPGFXCFSA-N 2 0 343.446 3.028 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCOC1 ZINC000359658400 167203668 /nfs/dbraw/zinc/20/36/68/167203668.db2.gz CVSFRTHAERDYLZ-USNOLKROSA-N 2 0 346.515 3.201 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000359765289 167226390 /nfs/dbraw/zinc/22/63/90/167226390.db2.gz QXYONKSFUJMILB-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000360567533 167360031 /nfs/dbraw/zinc/36/00/31/167360031.db2.gz FYTWGXYNRGCVRS-JOCHJYFZSA-N 2 0 349.478 3.368 20 0 EGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000366331047 168107437 /nfs/dbraw/zinc/10/74/37/168107437.db2.gz FMTHXPJFPHIWET-CTXDPNEZSA-N 2 0 347.547 3.068 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000122051397 222004857 /nfs/dbraw/zinc/00/48/57/222004857.db2.gz LHHDHWLOZWKZFN-NRFANRHFSA-N 2 0 348.531 3.099 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123532607 222293311 /nfs/dbraw/zinc/29/33/11/222293311.db2.gz XBAWTWHSYPUBDK-JXFKEZNVSA-N 2 0 328.456 3.011 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000174189655 265031383 /nfs/dbraw/zinc/03/13/83/265031383.db2.gz OYAXPLQGQKXQME-UHFFFAOYSA-N 2 0 340.556 3.057 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000174870680 265076752 /nfs/dbraw/zinc/07/67/52/265076752.db2.gz XTZXVJPHEHFWFP-IBGZPJMESA-N 2 0 344.503 3.134 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CC(C)(C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000177850403 265282363 /nfs/dbraw/zinc/28/23/63/265282363.db2.gz LBZHSJIIEDOFDS-PMACEKPBSA-N 2 0 329.532 3.271 20 0 EGADRP c1cc2c(s1)CC[NH+](CCOCC[N@@H+]1CCc3sccc3C1)C2 ZINC000178592885 265327877 /nfs/dbraw/zinc/32/78/77/265327877.db2.gz JNWAJRBYVIEFHS-UHFFFAOYSA-N 2 0 348.537 3.243 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000179192656 265366503 /nfs/dbraw/zinc/36/65/03/265366503.db2.gz IUQLVYNIMSIZNT-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180455721 265402877 /nfs/dbraw/zinc/40/28/77/265402877.db2.gz JLGPZKWEDLAZOQ-SJORKVTESA-N 2 0 339.524 3.001 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000182780671 265431770 /nfs/dbraw/zinc/43/17/70/265431770.db2.gz OLAVRQUPANAIRC-OAQYLSRUSA-N 2 0 332.532 3.424 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186616363 265541960 /nfs/dbraw/zinc/54/19/60/265541960.db2.gz RAUFZVCZBHBFTJ-UHFFFAOYSA-N 2 0 336.442 3.446 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237527374 266236743 /nfs/dbraw/zinc/23/67/43/266236743.db2.gz OOCSOBCLZPINEQ-HKUYNNGSSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237564192 266238634 /nfs/dbraw/zinc/23/86/34/266238634.db2.gz OOCSOBCLZPINEQ-MJGOQNOKSA-N 2 0 343.515 3.017 20 0 EGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000237877033 266248522 /nfs/dbraw/zinc/24/85/22/266248522.db2.gz HLYGZTVNNINGMC-UMQXSMKFSA-N 2 0 347.547 3.022 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000270846347 266566707 /nfs/dbraw/zinc/56/67/07/266566707.db2.gz WUGWVDMZJSXMRD-WMQCIHAUSA-N 2 0 328.500 3.089 20 0 EGADRP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC000271234259 266626185 /nfs/dbraw/zinc/62/61/85/266626185.db2.gz VVORACJERHXVPB-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275435831 267361404 /nfs/dbraw/zinc/36/14/04/267361404.db2.gz DRFNZUIBHRVSDG-JKLQHZFJSA-N 2 0 342.527 3.365 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCCc2c3ccccc3sc21)C[NH+]1CCCC1 ZINC000360242406 275057931 /nfs/dbraw/zinc/05/79/31/275057931.db2.gz OIDRKZIFMJULTO-RHSMWYFYSA-N 2 0 330.497 3.325 20 0 EGADRP C[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262670737 275233038 /nfs/dbraw/zinc/23/30/38/275233038.db2.gz RLIXJPPIPBIJLG-AOIWGVFYSA-N 2 0 331.504 3.093 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1Cl ZINC000271889202 275238803 /nfs/dbraw/zinc/23/88/03/275238803.db2.gz RNGJDNDWPKPDEW-CQSZACIVSA-N 2 0 335.879 3.217 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1O ZINC000278689409 275265821 /nfs/dbraw/zinc/26/58/21/275265821.db2.gz MQLSPAGSJWKQTM-OAHLLOKOSA-N 2 0 332.488 3.186 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)o1 ZINC000278879708 275283838 /nfs/dbraw/zinc/28/38/38/275283838.db2.gz XSBZNFDQDVQAOP-HNNXBMFYSA-N 2 0 343.471 3.039 20 0 EGADRP CC1CC[NH+](CCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000279951961 275381129 /nfs/dbraw/zinc/38/11/29/275381129.db2.gz OOIUGUAEFGYUJQ-UHFFFAOYSA-N 2 0 347.894 3.132 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000285602407 275894453 /nfs/dbraw/zinc/89/44/53/275894453.db2.gz YIEOLMGBEKVDML-IRXDYDNUSA-N 2 0 340.515 3.496 20 0 EGADRP COc1ccccc1O[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000286502292 276009032 /nfs/dbraw/zinc/00/90/32/276009032.db2.gz PTXOLKUQPHLGEC-MSOLQXFVSA-N 2 0 332.488 3.413 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000286683317 276032450 /nfs/dbraw/zinc/03/24/50/276032450.db2.gz VPODMQICQABVDT-UHFFFAOYSA-N 2 0 338.455 3.243 20 0 EGADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000286871775 276052388 /nfs/dbraw/zinc/05/23/88/276052388.db2.gz HMUWPWVRGAFPDS-DLBZAZTESA-N 2 0 342.405 3.351 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358909464 276110768 /nfs/dbraw/zinc/11/07/68/276110768.db2.gz BHZKBSGUFRCNBL-LJQANCHMSA-N 2 0 326.488 3.429 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287654410 276144284 /nfs/dbraw/zinc/14/42/84/276144284.db2.gz LJZTVDPGNIFAJW-INIZCTEOSA-N 2 0 327.476 3.182 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287839851 276162191 /nfs/dbraw/zinc/16/21/91/276162191.db2.gz WCVBUXDHWJITAD-INIZCTEOSA-N 2 0 339.487 3.325 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000249156376 276203063 /nfs/dbraw/zinc/20/30/63/276203063.db2.gz XBAVPDUGBBIPSY-GJYPPUQNSA-N 2 0 349.494 3.043 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCCOC2)CC1 ZINC000097230655 276203141 /nfs/dbraw/zinc/20/31/41/276203141.db2.gz IRWUICBUFRGLEJ-DLBZAZTESA-N 2 0 349.494 3.045 20 0 EGADRP Cc1ccc(C)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000288680171 276241313 /nfs/dbraw/zinc/24/13/13/276241313.db2.gz WZMUPGQQECJMSD-UHFFFAOYSA-N 2 0 327.472 3.319 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(-c2ccccc2)cs1 ZINC000289178059 276300446 /nfs/dbraw/zinc/30/04/46/276300446.db2.gz AEVZMVXBKZOSCU-UHFFFAOYSA-N 2 0 343.540 3.484 20 0 EGADRP CC[N@H+](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000120095077 276313522 /nfs/dbraw/zinc/31/35/22/276313522.db2.gz SGWHUHQAPWCJBC-KRWDZBQOSA-N 2 0 349.544 3.122 20 0 EGADRP COCCOCc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000289520367 276352096 /nfs/dbraw/zinc/35/20/96/276352096.db2.gz BCZSPHNWLWTNIW-LJQANCHMSA-N 2 0 348.531 3.451 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC000351762435 276388070 /nfs/dbraw/zinc/38/80/70/276388070.db2.gz YWORUFUGIORGGK-LSDHHAIUSA-N 2 0 325.447 3.366 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000290286742 276475225 /nfs/dbraw/zinc/47/52/25/276475225.db2.gz MNFPOTQCLHOBTL-FUHWJXTLSA-N 2 0 340.467 3.454 20 0 EGADRP C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000290286755 276475294 /nfs/dbraw/zinc/47/52/94/276475294.db2.gz MNFPOTQCLHOBTL-WMZOPIPTSA-N 2 0 340.467 3.454 20 0 EGADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000361485481 276757600 /nfs/dbraw/zinc/75/76/00/276757600.db2.gz NXPGVAGQEYQPQW-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2nc3ccccc3n2C)CC[NH+](C)CC1 ZINC000353631940 278125517 /nfs/dbraw/zinc/12/55/17/278125517.db2.gz QZEIYMJKYBHSFF-AWEZNQCLSA-N 2 0 332.517 3.051 20 0 EGADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000120828381 278944812 /nfs/dbraw/zinc/94/48/12/278944812.db2.gz RMIQTIAQMAJHOJ-PXNSSMCTSA-N 2 0 333.520 3.010 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCN(C(C)C)C1=O ZINC000174984072 279139129 /nfs/dbraw/zinc/13/91/29/279139129.db2.gz VAZGVUZGIRPHSZ-IBGZPJMESA-N 2 0 331.504 3.017 20 0 EGADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000123268451 279306592 /nfs/dbraw/zinc/30/65/92/279306592.db2.gz SEHPUSAEPMCTJJ-KRWDZBQOSA-N 2 0 325.541 3.074 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N(C)C)c1 ZINC000262155834 295326110 /nfs/dbraw/zinc/32/61/10/295326110.db2.gz GJOSBPZCBWQYKS-BQJUDKOJSA-N 2 0 345.531 3.198 20 0 EGADRP CC1(C)CC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC(C)(C)[NH2+]1 ZINC000066042976 307360982 /nfs/dbraw/zinc/36/09/82/307360982.db2.gz AQWFGDSBWZMDLG-UHFFFAOYSA-N 2 0 343.515 3.321 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123190959 307537081 /nfs/dbraw/zinc/53/70/81/307537081.db2.gz YWQHNMDKFVFZAR-FQEVSTJZSA-N 2 0 348.531 3.097 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414076693 309059342 /nfs/dbraw/zinc/05/93/42/309059342.db2.gz QGXDIEWTCUXLTM-KRWDZBQOSA-N 2 0 338.499 3.392 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000414082172 309059858 /nfs/dbraw/zinc/05/98/58/309059858.db2.gz FMKNHHXGJBIIJI-SJORKVTESA-N 2 0 332.488 3.155 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000414116303 309061916 /nfs/dbraw/zinc/06/19/16/309061916.db2.gz QOFYFYRUADNMPG-MRXNPFEDSA-N 2 0 331.504 3.408 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000132557924 307659619 /nfs/dbraw/zinc/65/96/19/307659619.db2.gz OVWTVSZEXGZHNR-FGZHOGPDSA-N 2 0 343.559 3.178 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154391628 307793821 /nfs/dbraw/zinc/79/38/21/307793821.db2.gz XZVVXKHSYXVNCK-HXUWFJFHSA-N 2 0 335.511 3.010 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H](O)C(C)C ZINC000414295313 309071195 /nfs/dbraw/zinc/07/11/95/309071195.db2.gz NPLDNQXXDFCZBV-ADAARDCZSA-N 2 0 330.516 3.282 20 0 EGADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414337587 309073761 /nfs/dbraw/zinc/07/37/61/309073761.db2.gz DQNUQVZVWIGVBW-JLSDUUJJSA-N 2 0 329.463 3.465 20 0 EGADRP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)nn1 ZINC000414340117 309073892 /nfs/dbraw/zinc/07/38/92/309073892.db2.gz NIKZJTRRCXGMSR-UHFFFAOYSA-N 2 0 344.890 3.440 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCC2 ZINC000248180812 308000075 /nfs/dbraw/zinc/00/00/75/308000075.db2.gz WJSOYQBHGFKPMN-UTKZUKDTSA-N 2 0 330.516 3.453 20 0 EGADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248199423 308000264 /nfs/dbraw/zinc/00/02/64/308000264.db2.gz YDBAQBMSQNDNBK-PXNSSMCTSA-N 2 0 332.488 3.270 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000248953306 308015394 /nfs/dbraw/zinc/01/53/94/308015394.db2.gz FMSHFACXODWZNW-OEWRPIJISA-N 2 0 338.495 3.425 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000249046525 308017785 /nfs/dbraw/zinc/01/77/85/308017785.db2.gz FFJCIDNJYORGTB-DOIPELPJSA-N 2 0 333.564 3.469 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000249181175 308020593 /nfs/dbraw/zinc/02/05/93/308020593.db2.gz IDSXAFYPMGISHD-CDHQVMDDSA-N 2 0 334.479 3.114 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000263243692 308065128 /nfs/dbraw/zinc/06/51/28/308065128.db2.gz HDNDKRHZPSWDJL-PXNSSMCTSA-N 2 0 345.531 3.169 20 0 EGADRP CCc1ncc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)cn1 ZINC000414397340 309077652 /nfs/dbraw/zinc/07/76/52/309077652.db2.gz HRDFTWATVMXBOO-UHFFFAOYSA-N 2 0 330.520 3.373 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1 ZINC000293000435 308088883 /nfs/dbraw/zinc/08/88/83/308088883.db2.gz NRZMSEOLVZENDP-UHFFFAOYSA-N 2 0 336.430 3.280 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000293042345 308092943 /nfs/dbraw/zinc/09/29/43/308092943.db2.gz RKCZIIXLZFCKCJ-UHFFFAOYSA-N 2 0 336.430 3.278 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414457146 309081451 /nfs/dbraw/zinc/08/14/51/309081451.db2.gz FPCZVDHSNSVDQS-INIZCTEOSA-N 2 0 330.451 3.141 20 0 EGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000293194705 308108286 /nfs/dbraw/zinc/10/82/86/308108286.db2.gz IEZCSRUJIPLQCW-SFTDATJTSA-N 2 0 328.500 3.422 20 0 EGADRP Fc1cccc(CC2([NH2+]CCC[NH+]3CCCCC3)CCOCC2)c1 ZINC000293196523 308108577 /nfs/dbraw/zinc/10/85/77/308108577.db2.gz XKQLRLCYODINBQ-UHFFFAOYSA-N 2 0 334.479 3.383 20 0 EGADRP Cc1sccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000293702512 308154325 /nfs/dbraw/zinc/15/43/25/308154325.db2.gz XGFJAMPUJYARFN-UHFFFAOYSA-N 2 0 330.497 3.303 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000294164817 308196443 /nfs/dbraw/zinc/19/64/43/308196443.db2.gz IVEYFANMYRGLEA-MRXNPFEDSA-N 2 0 328.456 3.053 20 0 EGADRP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000294864923 308265696 /nfs/dbraw/zinc/26/56/96/308265696.db2.gz UERQCXJIQBRTPW-AYWYSENESA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000294887782 308268103 /nfs/dbraw/zinc/26/81/03/308268103.db2.gz YCSKIQRBZPEHSF-YIOZNXECSA-N 2 0 334.529 3.137 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000294928694 308272823 /nfs/dbraw/zinc/27/28/23/308272823.db2.gz XIPBUFVZYVVGIA-FQEVSTJZSA-N 2 0 349.950 3.277 20 0 EGADRP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000414545981 309087894 /nfs/dbraw/zinc/08/78/94/309087894.db2.gz SJHVOVVWRBUPOH-UWJYYQICSA-N 2 0 337.467 3.452 20 0 EGADRP C[C@H]([NH3+])CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414702404 309096287 /nfs/dbraw/zinc/09/62/87/309096287.db2.gz BJXMLOZDMAIFLD-HNNXBMFYSA-N 2 0 332.492 3.310 20 0 EGADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695457 309095741 /nfs/dbraw/zinc/09/57/41/309095741.db2.gz GMCAOLDBMWQMOX-MJGOQNOKSA-N 2 0 330.520 3.008 20 0 EGADRP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695705 309095755 /nfs/dbraw/zinc/09/57/55/309095755.db2.gz OMBUDNPAMUMLMN-GJZGRUSLSA-N 2 0 337.895 3.379 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000414732508 309097963 /nfs/dbraw/zinc/09/79/63/309097963.db2.gz AIQFMPAWDQGNBO-KEYYUXOJSA-N 2 0 340.414 3.049 20 0 EGADRP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770198 309099837 /nfs/dbraw/zinc/09/98/37/309099837.db2.gz ONUPNLDAUDRRSY-HDICACEKSA-N 2 0 338.499 3.427 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778825 309100508 /nfs/dbraw/zinc/10/05/08/309100508.db2.gz JIXRAVAMMAIZHT-ZIAGYGMSSA-N 2 0 346.425 3.176 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414780801 309100720 /nfs/dbraw/zinc/10/07/20/309100720.db2.gz LYQFGIZYRXMZHE-AQNXPRMDSA-N 2 0 328.500 3.184 20 0 EGADRP C[C@H](COc1cccc(F)c1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298313724 308602721 /nfs/dbraw/zinc/60/27/21/308602721.db2.gz IARZTOVJPUEZOY-OAHLLOKOSA-N 2 0 329.419 3.247 20 0 EGADRP CCCCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414797837 309102144 /nfs/dbraw/zinc/10/21/44/309102144.db2.gz YXENWPGTGHQSNR-IBGZPJMESA-N 2 0 346.515 3.443 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414803005 309102460 /nfs/dbraw/zinc/10/24/60/309102460.db2.gz CIXHWFCTCXAPPZ-CQSZACIVSA-N 2 0 339.911 3.184 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414825625 309103939 /nfs/dbraw/zinc/10/39/39/309103939.db2.gz HIWXSHPUTKPKJQ-AWEZNQCLSA-N 2 0 346.393 3.116 20 0 EGADRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2Cl)n1 ZINC000414827935 309104164 /nfs/dbraw/zinc/10/41/64/309104164.db2.gz LDKSQPXVGJZRJW-YIONKMFJSA-N 2 0 330.863 3.113 20 0 EGADRP c1ccc(OCc2cccnc2)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414833164 309104370 /nfs/dbraw/zinc/10/43/70/309104370.db2.gz GGNMQRYNYRKJRJ-QGZVFWFLSA-N 2 0 325.456 3.140 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000414832226 309104504 /nfs/dbraw/zinc/10/45/04/309104504.db2.gz OEDRDWAWXKJRKI-OAHLLOKOSA-N 2 0 331.485 3.120 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000302082929 308728591 /nfs/dbraw/zinc/72/85/91/308728591.db2.gz MGOKQNCSIMVYDC-GOSISDBHSA-N 2 0 339.483 3.400 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000305137615 308758514 /nfs/dbraw/zinc/75/85/14/308758514.db2.gz PBENTIOYUNJYRK-UIFIKXQLSA-N 2 0 330.516 3.223 20 0 EGADRP Cc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000305171900 308758948 /nfs/dbraw/zinc/75/89/48/308758948.db2.gz ZXSJRWHHMXXMJR-FQEVSTJZSA-N 2 0 346.515 3.121 20 0 EGADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414848924 309105366 /nfs/dbraw/zinc/10/53/66/309105366.db2.gz XPTSEGRGZOUQGB-CYBMUJFWSA-N 2 0 346.393 3.116 20 0 EGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC000410386566 308916763 /nfs/dbraw/zinc/91/67/63/308916763.db2.gz UXLKYXIKIDXYIQ-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H](CC[NH2+][C@H](C)C1CCOCC1)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000411471533 308940569 /nfs/dbraw/zinc/94/05/69/308940569.db2.gz LDQDHAAQNQLHJN-BCDXTJNWSA-N 2 0 340.552 3.212 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000411488501 308941254 /nfs/dbraw/zinc/94/12/54/308941254.db2.gz KZJVIDSAZTXXEC-KRWDZBQOSA-N 2 0 325.541 3.027 20 0 EGADRP COc1cc2[nH+]ccc(NC3CC[NH+](C(C)(C)C)CC3)c2cc1OC ZINC000413069294 309014457 /nfs/dbraw/zinc/01/44/57/309014457.db2.gz KRYMFHGSDQPJPL-UHFFFAOYSA-N 2 0 343.471 3.349 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414881556 309107002 /nfs/dbraw/zinc/10/70/02/309107002.db2.gz KZXFRCKJDOGFSB-QMMMGPOBSA-N 2 0 336.071 3.039 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OCc1ccccc1 ZINC000414894765 309107879 /nfs/dbraw/zinc/10/78/79/309107879.db2.gz LSOGJMTXRQIKOW-MRXNPFEDSA-N 2 0 328.456 3.491 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414907457 309108572 /nfs/dbraw/zinc/10/85/72/309108572.db2.gz QPEKDZCLJGILTI-LBPRGKRZSA-N 2 0 343.284 3.499 20 0 EGADRP FC(F)Oc1ccc(Br)cc1CN[C@H]1CCC[NH2+]CC1 ZINC000414908774 309108589 /nfs/dbraw/zinc/10/85/89/309108589.db2.gz CYRMFIPGXGHAFZ-LBPRGKRZSA-N 2 0 349.219 3.282 20 0 EGADRP CC1(C[NH2+]Cc2ccccc2OCc2cccnc2)CC[NH2+]CC1 ZINC000414915275 309109032 /nfs/dbraw/zinc/10/90/32/309109032.db2.gz ZNZNAPIGLAUVBJ-UHFFFAOYSA-N 2 0 325.456 3.140 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(Cl)c1 ZINC000414915628 309109054 /nfs/dbraw/zinc/10/90/54/309109054.db2.gz ZYMOKUMCLZSEHP-CQSZACIVSA-N 2 0 337.895 3.345 20 0 EGADRP CC1([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[NH2+]CC1 ZINC000414939598 309110265 /nfs/dbraw/zinc/11/02/65/309110265.db2.gz JGJMALMEICPNLK-UHFFFAOYSA-N 2 0 338.377 3.123 20 0 EGADRP C[NH2+]Cc1ccc(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000414980228 309112615 /nfs/dbraw/zinc/11/26/15/309112615.db2.gz VNAUGROGMPTZCV-UHFFFAOYSA-N 2 0 330.501 3.241 20 0 EGADRP Cn1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)nc2cc(C(F)(F)F)ccc21 ZINC000414982159 309112828 /nfs/dbraw/zinc/11/28/28/309112828.db2.gz YNPGDDMLOFZVKE-ZDUSSCGKSA-N 2 0 340.393 3.214 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OC ZINC000414990602 309113063 /nfs/dbraw/zinc/11/30/63/309113063.db2.gz ISJVCGGUCNPUPQ-GXTWGEPZSA-N 2 0 326.868 3.354 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c(Cl)c1 ZINC000415008215 309113858 /nfs/dbraw/zinc/11/38/58/309113858.db2.gz CXPLTRWQVNQWAI-ZIAGYGMSSA-N 2 0 325.884 3.473 20 0 EGADRP COc1sc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415011547 309114238 /nfs/dbraw/zinc/11/42/38/309114238.db2.gz WCESFUHINIAVMK-ZJUUUORDSA-N 2 0 333.295 3.126 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC000415028436 309115211 /nfs/dbraw/zinc/11/52/11/309115211.db2.gz YLVMWQAMRFYIDV-KBAYOESNSA-N 2 0 331.504 3.375 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415027837 309115217 /nfs/dbraw/zinc/11/52/17/309115217.db2.gz BSJNXUFSIKPMEB-CABCVRRESA-N 2 0 331.485 3.248 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000415027434 309115254 /nfs/dbraw/zinc/11/52/54/309115254.db2.gz WEGSTQUJGLEOJE-HAQNSBGRSA-N 2 0 327.266 3.009 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415031928 309115456 /nfs/dbraw/zinc/11/54/56/309115456.db2.gz HKIZBUKQUJCJQE-MJGOQNOKSA-N 2 0 340.467 3.491 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415036040 309115779 /nfs/dbraw/zinc/11/57/79/309115779.db2.gz LCWMTIJBJLIOPP-IEBWSBKVSA-N 2 0 340.515 3.446 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000415058092 309117325 /nfs/dbraw/zinc/11/73/25/309117325.db2.gz SIRMQKZFVOHYHE-KRWDZBQOSA-N 2 0 343.437 3.473 20 0 EGADRP COc1cc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000415084193 309119178 /nfs/dbraw/zinc/11/91/78/309119178.db2.gz OKZFXRTWQQFIBC-TZMCWYRMSA-N 2 0 346.393 3.257 20 0 EGADRP Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)n1 ZINC000415091215 309119710 /nfs/dbraw/zinc/11/97/10/309119710.db2.gz PYPALFUVBSSTSJ-PKOBYXMFSA-N 2 0 330.520 3.259 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H](C)C[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000415094980 309119891 /nfs/dbraw/zinc/11/98/91/309119891.db2.gz YJBCHQVEAWFJMN-MJGOQNOKSA-N 2 0 346.515 3.254 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415108746 309120809 /nfs/dbraw/zinc/12/08/09/309120809.db2.gz MWTPPFRQLZKYGD-YSGRDPCXSA-N 2 0 332.488 3.017 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C1 ZINC000415117185 309121394 /nfs/dbraw/zinc/12/13/94/309121394.db2.gz BWWUHFBLIAVKMS-DOTOQJQBSA-N 2 0 340.414 3.006 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)C1 ZINC000415122676 309121924 /nfs/dbraw/zinc/12/19/24/309121924.db2.gz KGCJGDJMMMRNCV-CTNGQTDRSA-N 2 0 344.499 3.194 20 0 EGADRP [NH3+]CCCN(c1cccc(F)c1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415129494 309122566 /nfs/dbraw/zinc/12/25/66/309122566.db2.gz ZCIUPVCWTWTUAU-VQTJNVASSA-N 2 0 327.447 3.474 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415131070 309122664 /nfs/dbraw/zinc/12/26/64/309122664.db2.gz RUZRZAPRHUZPSO-VQTJNVASSA-N 2 0 332.488 3.194 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415137698 309123160 /nfs/dbraw/zinc/12/31/60/309123160.db2.gz YHIVFZJBQVIIJD-AZUAARDMSA-N 2 0 332.488 3.192 20 0 EGADRP NC1(C[NH2+]Cc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000415140402 309123417 /nfs/dbraw/zinc/12/34/17/309123417.db2.gz ZDNNBMMWZDKXIS-UHFFFAOYSA-N 2 0 343.902 3.423 20 0 EGADRP Cc1cc2cc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)oc2cc1C ZINC000415141980 309123528 /nfs/dbraw/zinc/12/35/28/309123528.db2.gz QDCDDLZMDWCAIC-MOPGFXCFSA-N 2 0 340.467 3.250 20 0 EGADRP CC[NH2+][C@H](C)CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415383280 309132381 /nfs/dbraw/zinc/13/23/81/309132381.db2.gz BPDVFOAYLOCOFH-QGZVFWFLSA-N 2 0 346.519 3.081 20 0 EGADRP CCCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC[NH2+]CC1 ZINC000415790271 309143920 /nfs/dbraw/zinc/14/39/20/309143920.db2.gz PGWBDEHFOQMOBF-IBGZPJMESA-N 2 0 344.503 3.231 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccco1 ZINC000415916571 309148417 /nfs/dbraw/zinc/14/84/17/309148417.db2.gz HMENBNJAAVFTQF-QGZVFWFLSA-N 2 0 344.459 3.204 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000415925798 309149135 /nfs/dbraw/zinc/14/91/35/309149135.db2.gz UIESIJDORXYORG-BEFAXECRSA-N 2 0 340.471 3.219 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415928839 309149341 /nfs/dbraw/zinc/14/93/41/309149341.db2.gz GDFYGPZPGFYJRD-JKSUJKDBSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000415935411 309149858 /nfs/dbraw/zinc/14/98/58/309149858.db2.gz RQGJSJVTWFGNCT-UHFFFAOYSA-N 2 0 332.492 3.182 20 0 EGADRP CCc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+](C)C)cc1 ZINC000415964005 309151668 /nfs/dbraw/zinc/15/16/68/309151668.db2.gz VRGOGIOFMRGZMB-IBGZPJMESA-N 2 0 340.471 3.132 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000415976608 309152407 /nfs/dbraw/zinc/15/24/07/309152407.db2.gz WFZLJFDUECDXRT-INIZCTEOSA-N 2 0 340.471 3.048 20 0 EGADRP CC1(C)CC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC(C)(C)[NH2+]1 ZINC000416798181 309181652 /nfs/dbraw/zinc/18/16/52/309181652.db2.gz ZVQJQFKUBNWXGI-QGZVFWFLSA-N 2 0 346.519 3.075 20 0 EGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000417038803 309190665 /nfs/dbraw/zinc/19/06/65/309190665.db2.gz WDJMIJBKPKDHRM-QGZVFWFLSA-N 2 0 346.519 3.018 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417310566 309201195 /nfs/dbraw/zinc/20/11/95/309201195.db2.gz KLEMNMWKCGKQFM-XLAORIBOSA-N 2 0 335.561 3.103 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417710822 309219217 /nfs/dbraw/zinc/21/92/17/309219217.db2.gz XVPFXSATSARSAU-RTBURBONSA-N 2 0 346.519 3.030 20 0 EGADRP CCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000417887972 309227045 /nfs/dbraw/zinc/22/70/45/309227045.db2.gz ZFVYQNBDKJBPED-QGZVFWFLSA-N 2 0 326.488 3.425 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)cc1 ZINC000420294924 309279924 /nfs/dbraw/zinc/27/99/24/309279924.db2.gz BNAIYEIHWVLBID-MSOLQXFVSA-N 2 0 340.467 3.236 20 0 EGADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314547 309281603 /nfs/dbraw/zinc/28/16/03/309281603.db2.gz KIVBSZMDTWYTCN-RBBKRZOGSA-N 3 0 341.543 3.364 20 0 EGADRP Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000420322893 309281999 /nfs/dbraw/zinc/28/19/99/309281999.db2.gz SRDNDZYUANXMRG-QMMLZNLJSA-N 2 0 326.484 3.227 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420322726 309282126 /nfs/dbraw/zinc/28/21/26/309282126.db2.gz FEHRWQYYQQXUSJ-AWEZNQCLSA-N 2 0 340.920 3.119 20 0 EGADRP [NH3+]C[C@@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CC12CCOCC2 ZINC000420323672 309282464 /nfs/dbraw/zinc/28/24/64/309282464.db2.gz GQBRUOQPMJVZJT-MRXNPFEDSA-N 2 0 334.463 3.444 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420335994 309283093 /nfs/dbraw/zinc/28/30/93/309283093.db2.gz IIZVNHYGUSVBCL-KBXCAEBGSA-N 2 0 347.528 3.200 20 0 EGADRP c1ccc(COc2cncc(C[NH+]3CCC4(CC[NH2+]C4)CC3)c2)cc1 ZINC000420344772 309283490 /nfs/dbraw/zinc/28/34/90/309283490.db2.gz UUOUDKJLMYZVCT-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000420357949 309283901 /nfs/dbraw/zinc/28/39/01/309283901.db2.gz IEZQVTKLBIDXSN-HNNXBMFYSA-N 2 0 348.288 3.475 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c2ccccc2n1 ZINC000420380381 309285297 /nfs/dbraw/zinc/28/52/97/309285297.db2.gz OAIIVUPYLIYFNW-CTNGQTDRSA-N 2 0 339.483 3.262 20 0 EGADRP Cc1sc([C@@H](C)[NH2+]CCOCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000420404582 309286704 /nfs/dbraw/zinc/28/67/04/309286704.db2.gz MFTYCSYVPOZXQO-LLVKDONJSA-N 2 0 339.892 3.398 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000420976919 309305369 /nfs/dbraw/zinc/30/53/69/309305369.db2.gz HJURBBUUTLMSJG-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CC3CCC(F)(F)CC3)CC2)CC1 ZINC000420979861 309305618 /nfs/dbraw/zinc/30/56/18/309305618.db2.gz KUFJFXIMUSITDP-UHFFFAOYSA-N 2 0 343.506 3.304 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000421838808 309342620 /nfs/dbraw/zinc/34/26/20/309342620.db2.gz VQQDEKIVXGXNHM-YOEHRIQHSA-N 2 0 342.886 3.237 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCC1 ZINC000421842495 309342743 /nfs/dbraw/zinc/34/27/43/309342743.db2.gz OAGGTYCWXQZMML-YLJYHZDGSA-N 2 0 346.515 3.081 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1C[NH3+] ZINC000422559438 309361684 /nfs/dbraw/zinc/36/16/84/309361684.db2.gz CWABVTWHRVBGLO-INMHGKMJSA-N 2 0 326.444 3.074 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422694049 309363429 /nfs/dbraw/zinc/36/34/29/309363429.db2.gz NHEDKRUZUYMERC-LPHOPBHVSA-N 2 0 341.455 3.490 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)CC[NH2+]CC1 ZINC000422693899 309363435 /nfs/dbraw/zinc/36/34/35/309363435.db2.gz MXVVMLWQTNCKRS-KBPBESRZSA-N 2 0 338.879 3.312 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1OCc1ccncc1 ZINC000422698257 309363455 /nfs/dbraw/zinc/36/34/55/309363455.db2.gz YKAXOKCSVHVLRC-JKSUJKDBSA-N 2 0 343.471 3.447 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000422698379 309363695 /nfs/dbraw/zinc/36/36/95/309363695.db2.gz ZAAOLKIVXBJMEU-IAGOWNOFSA-N 2 0 341.455 3.490 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+]C3CCC(C[NH3+])CC3)ccn2)cc1 ZINC000422696765 309363714 /nfs/dbraw/zinc/36/37/14/309363714.db2.gz SISHMJKDQDPSHY-UHFFFAOYSA-N 2 0 341.455 3.490 20 0 EGADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704574 309363792 /nfs/dbraw/zinc/36/37/92/309363792.db2.gz ABFZFPGCXYYFPR-BOFXEDATSA-N 2 0 344.499 3.427 20 0 EGADRP C[C@H]([NH2+]CCc1cccc(OCCCc2ccccc2)c1)C1C[NH2+]C1 ZINC000422713147 309364315 /nfs/dbraw/zinc/36/43/15/309364315.db2.gz PGSUZGVPXVWNIB-SFHVURJKSA-N 2 0 338.495 3.438 20 0 EGADRP CN(C)c1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422722941 309365139 /nfs/dbraw/zinc/36/51/39/309365139.db2.gz ZDMGKIDKQGWGDS-FPOVZHCZSA-N 2 0 337.467 3.098 20 0 EGADRP CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]C1CCC([NH3+])CC1 ZINC000422727864 309365365 /nfs/dbraw/zinc/36/53/65/309365365.db2.gz IHSDMNUKHFXXOG-SOAGJPPSSA-N 2 0 329.532 3.319 20 0 EGADRP CCOc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422746013 309366360 /nfs/dbraw/zinc/36/63/60/309366360.db2.gz YVCBUILATWUPRQ-GHTZIAJQSA-N 2 0 338.451 3.431 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000422760646 309366980 /nfs/dbraw/zinc/36/69/80/309366980.db2.gz LBFQTLAUCMEIDE-CRAIPNDOSA-N 2 0 348.487 3.057 20 0 EGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])COCc1ccccc1 ZINC000422770820 309367438 /nfs/dbraw/zinc/36/74/38/309367438.db2.gz XIBXVQSBSWXFDE-LQWHRVPQSA-N 2 0 326.484 3.387 20 0 EGADRP CCC(CC)(CN[C@H](C)C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000422773974 309367815 /nfs/dbraw/zinc/36/78/15/309367815.db2.gz ZNEOTWYTYLPJHY-WSTZPKSXSA-N 2 0 347.547 3.253 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000422781836 309368165 /nfs/dbraw/zinc/36/81/65/309368165.db2.gz LCQDSBQRUVYPPS-RYGJVYDSSA-N 2 0 325.456 3.420 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Oc1cccc(Br)c1 ZINC000422788537 309368230 /nfs/dbraw/zinc/36/82/30/309368230.db2.gz AWZGZHUKEAKFRQ-DAXOMENPSA-N 2 0 341.293 3.466 20 0 EGADRP Cc1nc(C)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422791312 309368382 /nfs/dbraw/zinc/36/83/82/309368382.db2.gz USAMVKZEAWNRBW-MAUKXSAKSA-N 2 0 329.469 3.105 20 0 EGADRP CCCC[NH+]1CCC(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422794736 309368573 /nfs/dbraw/zinc/36/85/73/309368573.db2.gz ZEVLZOFXYDTPDC-PZJWPPBQSA-N 2 0 343.515 3.096 20 0 EGADRP COc1ccc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422795561 309368576 /nfs/dbraw/zinc/36/85/76/309368576.db2.gz HOIWTWCPNZBCPO-QHAWAJNXSA-N 2 0 340.467 3.095 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422800664 309369215 /nfs/dbraw/zinc/36/92/15/309369215.db2.gz CPGYJOPXRZRYAL-NQIIRXRSSA-N 3 0 329.532 3.396 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422817266 309370144 /nfs/dbraw/zinc/37/01/44/309370144.db2.gz CRFOLOXGXOXRFB-CRAIPNDOSA-N 2 0 340.467 3.241 20 0 EGADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422817734 309370192 /nfs/dbraw/zinc/37/01/92/309370192.db2.gz IDRYVVGBONXMCM-OXGONZEZSA-N 2 0 334.426 3.102 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000422819807 309370218 /nfs/dbraw/zinc/37/02/18/309370218.db2.gz IXDHLAXPMPAVMR-FGTMMUONSA-N 2 0 336.907 3.364 20 0 EGADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000422823409 309370273 /nfs/dbraw/zinc/37/02/73/309370273.db2.gz LMICNTDFLXLMMY-ZNZDAUKMSA-N 2 0 346.496 3.266 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422834254 309371033 /nfs/dbraw/zinc/37/10/33/309371033.db2.gz XBTFXFNGKNPIOL-RCCFBDPRSA-N 2 0 332.488 3.494 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845791 309371752 /nfs/dbraw/zinc/37/17/52/309371752.db2.gz OQBIJEDXEQDQCK-LZQZEXGQSA-N 2 0 335.923 3.455 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000422853483 309372118 /nfs/dbraw/zinc/37/21/18/309372118.db2.gz CAXLUKXOISUVFZ-CWRNSKLLSA-N 2 0 346.368 3.091 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cc2)n1 ZINC000422869311 309372819 /nfs/dbraw/zinc/37/28/19/309372819.db2.gz XHPKQWYPJKAIRQ-QRWLVFNGSA-N 2 0 326.488 3.009 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422874858 309373146 /nfs/dbraw/zinc/37/31/46/309373146.db2.gz DKZBPWUBJDFEOR-ZEDDUWKQSA-N 3 0 327.516 3.291 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422880576 309373721 /nfs/dbraw/zinc/37/37/21/309373721.db2.gz OMGVIIJNMOFXRP-QGPMSJSTSA-N 2 0 335.923 3.452 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)Cc2ccc(C)cc2C)CC[NH2+]CC1 ZINC000422886492 309374283 /nfs/dbraw/zinc/37/42/83/309374283.db2.gz JFLRODWYMSKMGF-MSOLQXFVSA-N 2 0 346.515 3.145 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422889805 309374494 /nfs/dbraw/zinc/37/44/94/309374494.db2.gz GWXLAKGRYJSDKJ-KGLIPLIRSA-N 2 0 329.419 3.293 20 0 EGADRP COCCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422890163 309374519 /nfs/dbraw/zinc/37/45/19/309374519.db2.gz RKQYYKAFAXXDDO-RXVVDRJESA-N 2 0 344.499 3.429 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422893577 309374653 /nfs/dbraw/zinc/37/46/53/309374653.db2.gz AHLFFRNIEFWWFE-GEALJGNFSA-N 2 0 331.479 3.162 20 0 EGADRP CCCCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422896365 309374888 /nfs/dbraw/zinc/37/48/88/309374888.db2.gz XXNPMOCEIFZYKY-XUVXKRRUSA-N 2 0 332.488 3.112 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422912854 309375791 /nfs/dbraw/zinc/37/57/91/309375791.db2.gz XBSGEGWBGSMYLV-CJNGLKHVSA-N 2 0 327.875 3.161 20 0 EGADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1nc2c(s1)CCCC2 ZINC000422912237 309375906 /nfs/dbraw/zinc/37/59/06/309375906.db2.gz VNVWXKRBZCDSSC-BZUAXINKSA-N 2 0 333.545 3.465 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(C)c2)CC[NH2+]CC1 ZINC000422917348 309376087 /nfs/dbraw/zinc/37/60/87/309376087.db2.gz DHNGRSRJTUIXED-HUUCEWRRSA-N 2 0 336.451 3.106 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1)C1C[NH2+]C1 ZINC000422913670 309376106 /nfs/dbraw/zinc/37/61/06/309376106.db2.gz ZANKLFNYSQQQFU-QGZVFWFLSA-N 2 0 346.478 3.296 20 0 EGADRP O=C(C1CCC1)N(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000422959417 309378221 /nfs/dbraw/zinc/37/82/21/309378221.db2.gz RXJPUQONBWSTPW-VAMGGRTRSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422963679 309378625 /nfs/dbraw/zinc/37/86/25/309378625.db2.gz GJIFMIPJWUCISN-MTQWCTHYSA-N 2 0 330.516 3.299 20 0 EGADRP CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccco1 ZINC000422972439 309378873 /nfs/dbraw/zinc/37/88/73/309378873.db2.gz LQDDHSDAEBSUFM-KDOFPFPSSA-N 2 0 330.476 3.175 20 0 EGADRP CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422978055 309379337 /nfs/dbraw/zinc/37/93/37/309379337.db2.gz GQHAASGEWUYTKH-HSALFYBXSA-N 2 0 346.515 3.110 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422986172 309379696 /nfs/dbraw/zinc/37/96/96/309379696.db2.gz GOVDXHMPGHXAEO-PKOBYXMFSA-N 3 0 330.520 3.198 20 0 EGADRP CC[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005146 309380519 /nfs/dbraw/zinc/38/05/19/309380519.db2.gz QWJGWQLKMOGKKQ-VMXMFDLUSA-N 3 0 329.532 3.407 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005318 309380631 /nfs/dbraw/zinc/38/06/31/309380631.db2.gz RICIIRSWFWNINW-HOTGVXAUSA-N 2 0 330.394 3.373 20 0 EGADRP CCOCCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423006277 309380657 /nfs/dbraw/zinc/38/06/57/309380657.db2.gz UVSOQAUHMCLGOY-YLJYHZDGSA-N 2 0 330.472 3.039 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423005989 309380674 /nfs/dbraw/zinc/38/06/74/309380674.db2.gz TZODSXTVGKHUQT-HZEGPAAWSA-N 3 0 329.532 3.394 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000423013635 309380889 /nfs/dbraw/zinc/38/08/89/309380889.db2.gz NCGWTZHFVOGUOB-FFGOWVMKSA-N 2 0 341.499 3.385 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCCCC[C@H]3[NH3+])c2)CC1 ZINC000423021809 309381366 /nfs/dbraw/zinc/38/13/66/309381366.db2.gz CXYMPNNFUZOMAH-WOJBJXKFSA-N 2 0 330.520 3.289 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000423026176 309381652 /nfs/dbraw/zinc/38/16/52/309381652.db2.gz AVMNTOJBHKRFJJ-GFCCVEGCSA-N 2 0 342.314 3.155 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423027024 309381753 /nfs/dbraw/zinc/38/17/53/309381753.db2.gz CROAVEQZYUJPFO-NEPJUHHUSA-N 2 0 329.282 3.106 20 0 EGADRP FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423064577 309383908 /nfs/dbraw/zinc/38/39/08/309383908.db2.gz RUKIQEGKYIBJHE-PEUVFPKISA-N 2 0 339.405 3.157 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccccc1OC(F)F ZINC000423075338 309384634 /nfs/dbraw/zinc/38/46/34/309384634.db2.gz WSVZVANMFQGSKQ-GFCCVEGCSA-N 2 0 335.398 3.343 20 0 EGADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077204 309384721 /nfs/dbraw/zinc/38/47/21/309384721.db2.gz LNQUXYFMZRMTGG-YNWKUBOOSA-N 2 0 330.516 3.127 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCn2cc(Br)cn2)c2ccccc21 ZINC000423088611 309385403 /nfs/dbraw/zinc/38/54/03/309385403.db2.gz SJIAGMFZCWQWHV-JKSUJKDBSA-N 2 0 349.276 3.160 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000423094008 309385513 /nfs/dbraw/zinc/38/55/13/309385513.db2.gz IXQDXHIFDQDQRO-CMPLNLGQSA-N 2 0 349.276 3.418 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H](C)O1 ZINC000423100945 309385976 /nfs/dbraw/zinc/38/59/76/309385976.db2.gz NCKOQLXUGUTHIX-LLJHKCNDSA-N 2 0 330.472 3.036 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)N[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423102798 309386191 /nfs/dbraw/zinc/38/61/91/309386191.db2.gz KOEIXGOOVUTPEY-KPFFTGBYSA-N 2 0 333.520 3.198 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423113835 309386613 /nfs/dbraw/zinc/38/66/13/309386613.db2.gz ZHRKNIQJBXQCJZ-LIRRHRJNSA-N 2 0 346.906 3.456 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423113834 309386661 /nfs/dbraw/zinc/38/66/61/309386661.db2.gz ZHRKNIQJBXQCJZ-KUHUBIRLSA-N 2 0 346.906 3.456 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000423127976 309387216 /nfs/dbraw/zinc/38/72/16/309387216.db2.gz CQLWYMNOCQPTNJ-BPLDGKMQSA-N 2 0 328.378 3.437 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000423132292 309387629 /nfs/dbraw/zinc/38/76/29/309387629.db2.gz UHJJIRWFPQQTAX-QNDJGXFYSA-N 2 0 336.907 3.316 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423134524 309387716 /nfs/dbraw/zinc/38/77/16/309387716.db2.gz MJYPZODWHPPUNI-RDJZCZTQSA-N 2 0 334.533 3.161 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423138976 309387920 /nfs/dbraw/zinc/38/79/20/309387920.db2.gz USDAVNWFRKPPRW-SNVBAGLBSA-N 2 0 339.361 3.440 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCCC(F)(F)C2)CC[NH2+]CC1 ZINC000423139209 309388018 /nfs/dbraw/zinc/38/80/18/309388018.db2.gz ZHSLUDZKXOTGJQ-LSDHHAIUSA-N 2 0 346.462 3.113 20 0 EGADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423184527 309389427 /nfs/dbraw/zinc/38/94/27/309389427.db2.gz UDCBFVOQSBEAKO-HXUWFJFHSA-N 2 0 333.520 3.057 20 0 EGADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423182990 309389460 /nfs/dbraw/zinc/38/94/60/309389460.db2.gz KSCOMDWECFYBJJ-MJGOQNOKSA-N 2 0 335.923 3.251 20 0 EGADRP C[NH2+]CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423198842 309390050 /nfs/dbraw/zinc/39/00/50/309390050.db2.gz IFJLXRZTJKWMJG-MRXNPFEDSA-N 2 0 341.293 3.116 20 0 EGADRP C[NH2+]CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423198841 309390121 /nfs/dbraw/zinc/39/01/21/309390121.db2.gz IFJLXRZTJKWMJG-INIZCTEOSA-N 2 0 341.293 3.116 20 0 EGADRP Cc1c([C@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000423206857 309390540 /nfs/dbraw/zinc/39/05/40/309390540.db2.gz CGWZTKMIDFLGGI-QGLTVNCISA-N 2 0 333.867 3.150 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423220076 309391027 /nfs/dbraw/zinc/39/10/27/309391027.db2.gz XWKIUJLIKQIYKM-IVAOSVALSA-N 3 0 327.516 3.019 20 0 EGADRP Fc1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cccnc2)c(F)c1 ZINC000423263387 309393004 /nfs/dbraw/zinc/39/30/04/309393004.db2.gz XBQYVAOCGBYLQQ-IFXJQAMLSA-N 2 0 331.410 3.429 20 0 EGADRP CC(C)(C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423310383 309394792 /nfs/dbraw/zinc/39/47/92/309394792.db2.gz AESRZERWWMLGSH-LJQANCHMSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423330987 309395576 /nfs/dbraw/zinc/39/55/76/309395576.db2.gz OAPJKDATFNOWNT-ZIFCJYIRSA-N 2 0 337.552 3.158 20 0 EGADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1C[NH2+]C1 ZINC000423337563 309396055 /nfs/dbraw/zinc/39/60/55/309396055.db2.gz YLMNIUKSRIRIDC-HNNXBMFYSA-N 2 0 334.261 3.117 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1Br ZINC000423347768 309396358 /nfs/dbraw/zinc/39/63/58/309396358.db2.gz RARKMBNVKQRTRN-NSHDSACASA-N 2 0 325.250 3.028 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423355997 309396713 /nfs/dbraw/zinc/39/67/13/309396713.db2.gz GGWXSOXAPXZHDY-YRNRMSPPSA-N 2 0 337.467 3.272 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000423355996 309396844 /nfs/dbraw/zinc/39/68/44/309396844.db2.gz GGWXSOXAPXZHDY-TWOQFEAHSA-N 2 0 337.467 3.272 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000423363136 309396924 /nfs/dbraw/zinc/39/69/24/309396924.db2.gz BNFOOWGHGOCSCP-CRAIPNDOSA-N 2 0 341.455 3.175 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423365043 309397106 /nfs/dbraw/zinc/39/71/06/309397106.db2.gz PCCBFKIAICELFH-BQJUDKOJSA-N 3 0 327.516 3.019 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000423371291 309397677 /nfs/dbraw/zinc/39/76/77/309397677.db2.gz FHYWICKLGXWDAG-WBVHZDCISA-N 2 0 331.504 3.010 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC[NH2+]CC1 ZINC000423396256 309398569 /nfs/dbraw/zinc/39/85/69/309398569.db2.gz BAZWEZOGTNZIIQ-QZTJIDSGSA-N 2 0 331.504 3.022 20 0 EGADRP COCC1(C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC[NH2+]CC1 ZINC000423396249 309398662 /nfs/dbraw/zinc/39/86/62/309398662.db2.gz BANWXBBXLCXMRO-KRWDZBQOSA-N 2 0 334.529 3.446 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000423401229 309398728 /nfs/dbraw/zinc/39/87/28/309398728.db2.gz XASPHSGQJWVDEL-MDZLAQPJSA-N 2 0 327.266 3.249 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423459477 309401087 /nfs/dbraw/zinc/40/10/87/309401087.db2.gz RGNCPYPQBLQCEH-HUUCEWRRSA-N 2 0 338.517 3.181 20 0 EGADRP C[NH2+]CCc1ccccc1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000423783134 309412469 /nfs/dbraw/zinc/41/24/69/309412469.db2.gz JKSPSNLMUHJBIC-UHFFFAOYSA-N 2 0 325.456 3.071 20 0 EGADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423854221 309416810 /nfs/dbraw/zinc/41/68/10/309416810.db2.gz VINQLFDCUXLFHO-LJQANCHMSA-N 2 0 331.504 3.130 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423854309 309416835 /nfs/dbraw/zinc/41/68/35/309416835.db2.gz VSFQLYILTYGFDQ-UXHICEINSA-N 2 0 343.515 3.288 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)CC1CCCCC1 ZINC000424137618 309430401 /nfs/dbraw/zinc/43/04/01/309430401.db2.gz BBPRVWQNNAOMRX-RTBURBONSA-N 2 0 335.536 3.055 20 0 EGADRP [NH3+]C[C@@H](CN1CC[NH2+]C[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000424307986 309437698 /nfs/dbraw/zinc/43/76/98/309437698.db2.gz YZRZWDLPGTZEPG-HNAYVOBHSA-N 2 0 347.865 3.168 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000424425921 309443158 /nfs/dbraw/zinc/44/31/58/309443158.db2.gz KRVLJUKRQXHFPC-UHFFFAOYSA-N 2 0 332.492 3.039 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000424426852 309443272 /nfs/dbraw/zinc/44/32/72/309443272.db2.gz AZVZOEOKJKHJFV-UHFFFAOYSA-N 2 0 346.519 3.333 20 0 EGADRP Cc1ccc2cc([C@@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)oc2c1 ZINC000426015524 309497632 /nfs/dbraw/zinc/49/76/32/309497632.db2.gz GIPDZYKRBOKIFS-IAGOWNOFSA-N 2 0 329.488 3.418 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000427294702 309526444 /nfs/dbraw/zinc/52/64/44/309526444.db2.gz KBIRBZGFVNNFQG-KRWDZBQOSA-N 2 0 347.503 3.126 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000430724337 309616143 /nfs/dbraw/zinc/61/61/43/309616143.db2.gz VEKCQYJMPDLHIW-ILZDJORESA-N 2 0 345.531 3.282 20 0 EGADRP Cc1cc(-c2noc([C@H](C)[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)ccc1F ZINC000430918082 309620867 /nfs/dbraw/zinc/62/08/67/309620867.db2.gz LRUMXCUSMXKMBO-OLZOCXBDSA-N 2 0 332.423 3.304 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430943723 309621708 /nfs/dbraw/zinc/62/17/08/309621708.db2.gz QBMIKYRGZBFYQU-OXQOHEQNSA-N 2 0 337.467 3.426 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000431572665 309636912 /nfs/dbraw/zinc/63/69/12/309636912.db2.gz VLIRQLSKMPPFPQ-IRXDYDNUSA-N 2 0 345.512 3.160 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)CN1CC[NH+](C)CC1 ZINC000432247135 309655740 /nfs/dbraw/zinc/65/57/40/309655740.db2.gz RFEAUNHUFQFKOR-GFCCVEGCSA-N 2 0 348.293 3.106 20 0 EGADRP CC(C)C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccs1 ZINC000433120199 309679381 /nfs/dbraw/zinc/67/93/81/309679381.db2.gz YEMFFUHDYVSZRA-INIZCTEOSA-N 2 0 337.533 3.155 20 0 EGADRP CCOc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1OCC(F)(F)F ZINC000435368591 309729390 /nfs/dbraw/zinc/72/93/90/309729390.db2.gz BORNFEQELPXGQL-UHFFFAOYSA-N 2 0 346.393 3.197 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000443639854 309905601 /nfs/dbraw/zinc/90/56/01/309905601.db2.gz LVGCASROZPRULR-FPOVZHCZSA-N 2 0 333.564 3.469 20 0 EGADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCOCC[NH+](C)C ZINC000447593134 309983708 /nfs/dbraw/zinc/98/37/08/309983708.db2.gz QBJFNXQPNOITNB-INIZCTEOSA-N 2 0 326.868 3.030 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000447603187 309984041 /nfs/dbraw/zinc/98/40/41/309984041.db2.gz VNFBGIKEMKHPSM-XLIONFOSSA-N 2 0 345.531 3.295 20 0 EGADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCOCC[NH+](C)C)cc1F ZINC000447601473 309984108 /nfs/dbraw/zinc/98/41/08/309984108.db2.gz PIGZUQIAAGQYHN-SJLPKXTDSA-N 2 0 338.467 3.028 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc4ccoc43)CC2)CC1 ZINC000449037781 310031870 /nfs/dbraw/zinc/03/18/70/310031870.db2.gz OXEQDZHWIDWYLY-UHFFFAOYSA-N 2 0 341.499 3.423 20 0 EGADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449105920 310037605 /nfs/dbraw/zinc/03/76/05/310037605.db2.gz FUPHJRKNHITGFW-YKTARERQSA-N 2 0 334.529 3.137 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000449127777 310038857 /nfs/dbraw/zinc/03/88/57/310038857.db2.gz XKTXJRBXOUHSNX-KPFFTGBYSA-N 2 0 349.950 3.277 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000449177331 310042468 /nfs/dbraw/zinc/04/24/68/310042468.db2.gz SDZKUWCRIPSXAU-GOSISDBHSA-N 2 0 331.504 3.288 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449192587 310043554 /nfs/dbraw/zinc/04/35/54/310043554.db2.gz RBDSOJYBOJBFBB-UHFFFAOYSA-N 2 0 338.536 3.082 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000449491602 310066548 /nfs/dbraw/zinc/06/65/48/310066548.db2.gz HRWBKVZJAMLIFV-KRWDZBQOSA-N 2 0 337.458 3.354 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449501022 310067191 /nfs/dbraw/zinc/06/71/91/310067191.db2.gz DYXPXAVDTUFXOU-IDCXYZFESA-N 2 0 334.548 3.416 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449579797 310073454 /nfs/dbraw/zinc/07/34/54/310073454.db2.gz JVGPCMZPRMOJOX-HSALFYBXSA-N 2 0 328.500 3.039 20 0 EGADRP CC1(C)CCC[N@@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000449781928 310086790 /nfs/dbraw/zinc/08/67/90/310086790.db2.gz JOFLWYKCJKMYPE-UHFFFAOYSA-N 2 0 329.532 3.158 20 0 EGADRP CCO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451551486 310185589 /nfs/dbraw/zinc/18/55/89/310185589.db2.gz XYHREWHEYLRTFD-VYJAJWGXSA-N 2 0 340.552 3.116 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453200042 310263712 /nfs/dbraw/zinc/26/37/12/310263712.db2.gz ULXNDOOXKQSYCL-SFTDATJTSA-N 2 0 328.500 3.312 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453388617 310274249 /nfs/dbraw/zinc/27/42/49/310274249.db2.gz BTEUOFSFCTYNCS-AWEZNQCLSA-N 2 0 333.476 3.179 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000454308780 310302675 /nfs/dbraw/zinc/30/26/75/310302675.db2.gz BPEDNDHEKXKIEE-BEFAXECRSA-N 2 0 344.503 3.231 20 0 EGADRP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455848655 310379419 /nfs/dbraw/zinc/37/94/19/310379419.db2.gz JXDBLIVFRJETER-KDOFPFPSSA-N 2 0 332.492 3.087 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)ccc21 ZINC000456256524 310395253 /nfs/dbraw/zinc/39/52/53/310395253.db2.gz CMBMMDYXQQRJPA-RBUKOAKNSA-N 2 0 327.472 3.048 20 0 EGADRP c1ccc([C@@H]2C[C@H]2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000459332688 310544742 /nfs/dbraw/zinc/54/47/42/310544742.db2.gz YTHXTARQJYKHIW-SFTDATJTSA-N 2 0 328.500 3.224 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000491142349 311165899 /nfs/dbraw/zinc/16/58/99/311165899.db2.gz WRTPFMQFADYCJN-WIYYLYMNSA-N 2 0 343.559 3.142 20 0 EGADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)NC(=O)OC(C)(C)C ZINC000492439217 311250944 /nfs/dbraw/zinc/25/09/44/311250944.db2.gz VNALULDCYQQRQZ-BZUAXINKSA-N 2 0 339.524 3.142 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000492694866 311281352 /nfs/dbraw/zinc/28/13/52/311281352.db2.gz FLIAXOJTDDWLNM-IKGGRYGDSA-N 2 0 339.524 3.144 20 0 EGADRP O=C(/C=C/c1ncc[nH]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000493145982 311334016 /nfs/dbraw/zinc/33/40/16/311334016.db2.gz FAAXAMKEOLBGHR-MOEXGYKKSA-N 2 0 344.846 3.030 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000495542410 311576208 /nfs/dbraw/zinc/57/62/08/311576208.db2.gz RFCVTSVUWUYCCZ-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000495728133 311602269 /nfs/dbraw/zinc/60/22/69/311602269.db2.gz JDOMUSXBWKUHDI-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000497180430 311831841 /nfs/dbraw/zinc/83/18/41/311831841.db2.gz CNSZWXWSSXVNND-XYJFISCASA-N 2 0 339.524 3.144 20 0 EGADRP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000507473874 312074421 /nfs/dbraw/zinc/07/44/21/312074421.db2.gz WDCVATYDERCOBY-INIZCTEOSA-N 2 0 327.472 3.435 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000507507893 312075692 /nfs/dbraw/zinc/07/56/92/312075692.db2.gz IIDUFGRZNJDBLV-MRXNPFEDSA-N 2 0 335.458 3.257 20 0 EGADRP C[C@@H](C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508191086 312090553 /nfs/dbraw/zinc/09/05/53/312090553.db2.gz ARNLJVHZEXINND-OTWHNJEPSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513884798 312219201 /nfs/dbraw/zinc/21/92/01/312219201.db2.gz FFQVYRWTVCVQOK-KURKYZTESA-N 2 0 343.506 3.302 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513884796 312219328 /nfs/dbraw/zinc/21/93/28/312219328.db2.gz FFQVYRWTVCVQOK-FGTMMUONSA-N 2 0 343.506 3.302 20 0 EGADRP COC1CCC(C)(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000526988280 312813037 /nfs/dbraw/zinc/81/30/37/312813037.db2.gz DBNVNYHVYDPGAA-UHFFFAOYSA-N 2 0 328.460 3.261 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528392583 313082481 /nfs/dbraw/zinc/08/24/81/313082481.db2.gz ULKOZKHIFXQSGY-QUCCMNQESA-N 2 0 334.479 3.191 20 0 EGADRP COc1cccc([C@H]2C[N@H+](Cc3cnc(N(C)C)n3C)CC2(C)C)c1 ZINC000529642351 313376196 /nfs/dbraw/zinc/37/61/96/313376196.db2.gz VZMBZFGZXYYQJI-GOSISDBHSA-N 2 0 342.487 3.120 20 0 EGADRP C[C@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCCC1 ZINC000530583222 313559314 /nfs/dbraw/zinc/55/93/14/313559314.db2.gz FQDFEKUQOKBVDQ-LJQANCHMSA-N 2 0 343.515 3.380 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000531979778 313738685 /nfs/dbraw/zinc/73/86/85/313738685.db2.gz UXKVNXFBEAQENG-NVXWUHKLSA-N 2 0 331.495 3.206 20 0 EGADRP Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000532250021 313774995 /nfs/dbraw/zinc/77/49/95/313774995.db2.gz NPZXQIKBOJAHBM-UWJYYQICSA-N 2 0 342.483 3.320 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000533592302 313924355 /nfs/dbraw/zinc/92/43/55/313924355.db2.gz IMZRJLJEUNSLOW-QXAKKESOSA-N 2 0 333.520 3.208 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1(C)C ZINC000537288653 314172286 /nfs/dbraw/zinc/17/22/86/314172286.db2.gz LYIKZPNUOJPVSV-HSALFYBXSA-N 2 0 330.516 3.344 20 0 EGADRP CC[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000538724170 314270073 /nfs/dbraw/zinc/27/00/73/314270073.db2.gz WINMXIRCXWMMED-ZVDOUQERSA-N 2 0 329.532 3.138 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000539070498 314293986 /nfs/dbraw/zinc/29/39/86/314293986.db2.gz LZWXOIAIEKCCOD-UTKZUKDTSA-N 2 0 330.516 3.128 20 0 EGADRP Clc1cnc(OCC[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000539299285 314305202 /nfs/dbraw/zinc/30/52/02/314305202.db2.gz WFXZZGKCCKXAIO-UHFFFAOYSA-N 2 0 344.286 3.231 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539825025 314342676 /nfs/dbraw/zinc/34/26/76/314342676.db2.gz OODBHYLETUCXDM-HXUWFJFHSA-N 2 0 345.531 3.076 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCCC2 ZINC000540597697 314391131 /nfs/dbraw/zinc/39/11/31/314391131.db2.gz SSLSVTCPGGMFNS-UXHICEINSA-N 2 0 346.515 3.454 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000541741225 314484237 /nfs/dbraw/zinc/48/42/37/314484237.db2.gz KSCMAHGUEXBPIT-JXFKEZNVSA-N 2 0 333.520 3.292 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000554112306 315298707 /nfs/dbraw/zinc/29/87/07/315298707.db2.gz PCCSMCKYMGXREG-HOTGVXAUSA-N 2 0 332.492 3.209 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Oc1ccncc1 ZINC000554795431 315349178 /nfs/dbraw/zinc/34/91/78/315349178.db2.gz DTQGQMRVKOGCFH-RDTXWAMCSA-N 2 0 337.423 3.086 20 0 EGADRP COC(=O)C(C)(C)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000555015260 315362301 /nfs/dbraw/zinc/36/23/01/315362301.db2.gz HLTXHPTXNRSODV-UHFFFAOYSA-N 2 0 346.515 3.420 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000556952964 315486809 /nfs/dbraw/zinc/48/68/09/315486809.db2.gz CSDDLPOEENEGIL-VXGBXAGGSA-N 2 0 331.382 3.140 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)cc1 ZINC000563153719 315965331 /nfs/dbraw/zinc/96/53/31/315965331.db2.gz FBHWEUZOQYEGCH-UHFFFAOYSA-N 2 0 331.410 3.182 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563349818 316003790 /nfs/dbraw/zinc/00/37/90/316003790.db2.gz KCLCCODZHMCRSA-OCCSQVGLSA-N 2 0 338.377 3.203 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C(C)(C)C ZINC000564854734 316218620 /nfs/dbraw/zinc/21/86/20/316218620.db2.gz SXNOPUJZARBUSI-INIZCTEOSA-N 2 0 341.446 3.249 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2CC[NH+](CC)CC2)cc1)C(C)C ZINC000565787672 316370627 /nfs/dbraw/zinc/37/06/27/316370627.db2.gz NPFHJUBXVUZMTO-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000566118397 316420232 /nfs/dbraw/zinc/42/02/32/316420232.db2.gz AUPOGIBCKKYUNY-SOAGJPPSSA-N 2 0 342.483 3.042 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000566229908 316439431 /nfs/dbraw/zinc/43/94/31/316439431.db2.gz SSTHONNAXDONDJ-OLZOCXBDSA-N 2 0 334.895 3.417 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000566229907 316439616 /nfs/dbraw/zinc/43/96/16/316439616.db2.gz SSTHONNAXDONDJ-CHWSQXEVSA-N 2 0 334.895 3.417 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000567654849 316649480 /nfs/dbraw/zinc/64/94/80/316649480.db2.gz UANJJVWIABSCLR-JJMZBJEHSA-N 2 0 341.499 3.174 20 0 EGADRP CCOc1ccccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000569384306 316906700 /nfs/dbraw/zinc/90/67/00/316906700.db2.gz BPKGMAQQQUUXGD-QZTJIDSGSA-N 2 0 346.515 3.407 20 0 EGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000570691381 317094642 /nfs/dbraw/zinc/09/46/42/317094642.db2.gz YYVQHNPCWDGKNI-LJQANCHMSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000571916190 317265182 /nfs/dbraw/zinc/26/51/82/317265182.db2.gz VKMMJPRBLPVHIG-QRQLOZEOSA-N 2 0 343.515 3.154 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000571916192 317265457 /nfs/dbraw/zinc/26/54/57/317265457.db2.gz VKMMJPRBLPVHIG-WDSOQIARSA-N 2 0 343.515 3.154 20 0 EGADRP CCc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000572125857 317294890 /nfs/dbraw/zinc/29/48/90/317294890.db2.gz LWIOPEYUZKIXSM-UHFFFAOYSA-N 2 0 338.495 3.496 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)C1 ZINC000572138661 317297122 /nfs/dbraw/zinc/29/71/22/317297122.db2.gz IHBUZCROGLFLPS-HKUYNNGSSA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)C1 ZINC000572138664 317297502 /nfs/dbraw/zinc/29/75/02/317297502.db2.gz IHBUZCROGLFLPS-PKOBYXMFSA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)C1 ZINC000572138663 317297509 /nfs/dbraw/zinc/29/75/09/317297509.db2.gz IHBUZCROGLFLPS-MJGOQNOKSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000572304154 317318681 /nfs/dbraw/zinc/31/86/81/317318681.db2.gz GZBVOPKHSFIMKB-IAGOWNOFSA-N 2 0 340.515 3.496 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N1CC(C)C1 ZINC000572828049 317397172 /nfs/dbraw/zinc/39/71/72/317397172.db2.gz YQYKMQGNEISPHW-KRWDZBQOSA-N 2 0 329.488 3.197 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000174508349 323307497 /nfs/dbraw/zinc/30/74/97/323307497.db2.gz VRLPMVDXMJEZHB-OALUTQOASA-N 2 0 332.488 3.064 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000382082031 324248990 /nfs/dbraw/zinc/24/89/90/324248990.db2.gz WGJHLDCDUVBJHC-HNNXBMFYSA-N 2 0 327.513 3.001 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382766621 324254149 /nfs/dbraw/zinc/25/41/49/324254149.db2.gz VUMUYMBLXPALAL-HKUYNNGSSA-N 2 0 345.531 3.134 20 0 EGADRP CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388579005 324275806 /nfs/dbraw/zinc/27/58/06/324275806.db2.gz FNVUXBSUYBQZDQ-ZCNNSNEGSA-N 2 0 343.515 3.017 20 0 EGADRP CCCCO[C@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC000577990455 324898709 /nfs/dbraw/zinc/89/87/09/324898709.db2.gz PIBLEKPIGIKXKE-HOTGVXAUSA-N 2 0 328.566 3.387 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@@]3(c4ccccc4)CC[NH2+]C3)n2)cc1 ZINC000577995283 324899590 /nfs/dbraw/zinc/89/95/90/324899590.db2.gz ARDATNAQGDNKMX-NRFANRHFSA-N 2 0 348.450 3.078 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@@H](C)C1 ZINC000579733402 325153021 /nfs/dbraw/zinc/15/30/21/325153021.db2.gz CEZNFWIJKRWXPL-ZWKOTPCHSA-N 2 0 340.552 3.044 20 0 EGADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000580414197 325247208 /nfs/dbraw/zinc/24/72/08/325247208.db2.gz HHMNDOPJMVGCST-YJBOKZPZSA-N 2 0 335.455 3.288 20 0 EGADRP Cc1ccc2cc([C@H](C)NCc3nnc(C4CC[NH2+]CC4)[nH]3)oc2c1 ZINC000580709314 325286525 /nfs/dbraw/zinc/28/65/25/325286525.db2.gz OTRNESOBJDWWSL-ZDUSSCGKSA-N 2 0 339.443 3.177 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000581737013 325387703 /nfs/dbraw/zinc/38/77/03/325387703.db2.gz SBGCTKNUVSXBSW-SUNKGSAMSA-N 2 0 336.785 3.252 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000483817237 459394934 /nfs/dbraw/zinc/39/49/34/459394934.db2.gz KGWBGGLSWJHZBS-ZENOOKHLSA-N 2 0 341.293 3.146 20 0 EGADRP C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000183225858 455254690 /nfs/dbraw/zinc/25/46/90/455254690.db2.gz FWQMDDHJNAUDBL-NMLACTOBSA-N 2 0 344.499 3.235 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000183242673 455259108 /nfs/dbraw/zinc/25/91/08/455259108.db2.gz WTRNDHGGDDCGMB-IRXDYDNUSA-N 2 0 339.524 3.142 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)CCc2ccccc2)CC[NH2+]CC1 ZINC000600712729 460575105 /nfs/dbraw/zinc/57/51/05/460575105.db2.gz XOXQOBIZEHXWAY-MJGOQNOKSA-N 2 0 346.515 3.309 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC3(CCSCC3)CC2)cc1 ZINC000631837703 460578172 /nfs/dbraw/zinc/57/81/72/460578172.db2.gz WJXNHLATVWXQKM-KRWDZBQOSA-N 2 0 334.529 3.347 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000181627970 455365489 /nfs/dbraw/zinc/36/54/89/455365489.db2.gz IQQFQUWWWSWLOM-AEFFLSMTSA-N 2 0 349.494 3.187 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2SC)C1 ZINC000081572897 453889925 /nfs/dbraw/zinc/88/99/25/453889925.db2.gz WBXNXFJGHDLEFO-INIZCTEOSA-N 2 0 349.544 3.401 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000066960898 453890736 /nfs/dbraw/zinc/89/07/36/453890736.db2.gz ZVSWXSACHQWYPU-GOSISDBHSA-N 2 0 339.568 3.464 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000066960897 453890985 /nfs/dbraw/zinc/89/09/85/453890985.db2.gz ZVSWXSACHQWYPU-SFHVURJKSA-N 2 0 339.568 3.464 20 0 EGADRP CCN(C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000056523653 454064197 /nfs/dbraw/zinc/06/41/97/454064197.db2.gz RYKHHAFMVAKJEI-KRWDZBQOSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728343 454183515 /nfs/dbraw/zinc/18/35/15/454183515.db2.gz LRQBCJIKZYFKAG-IOASZLSFSA-N 2 0 348.878 3.251 20 0 EGADRP CCCC[N@H+](C)CC1CCN(c2cc(NCC3CC3)ncn2)CC1 ZINC000119521451 454201070 /nfs/dbraw/zinc/20/10/70/454201070.db2.gz NEQCVSHTZLUSDH-UHFFFAOYSA-N 2 0 331.508 3.247 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038653 454265875 /nfs/dbraw/zinc/26/58/75/454265875.db2.gz QYPCCAIONXRIJZ-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@H](Oc2ccncc2)C1 ZINC000131698181 454277110 /nfs/dbraw/zinc/27/71/10/454277110.db2.gz LPLPQTDNZIMTKC-WMZOPIPTSA-N 2 0 339.439 3.179 20 0 EGADRP C[C@@H](c1cnccn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000184709320 455433371 /nfs/dbraw/zinc/43/33/71/455433371.db2.gz NALPIJKRHDUEMN-INIZCTEOSA-N 2 0 325.460 3.171 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450655 454307450 /nfs/dbraw/zinc/30/74/50/454307450.db2.gz XNUHHIONULKYPX-JTNHKYCSSA-N 2 0 332.275 3.086 20 0 EGADRP C[C@@H]1OCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000121099018 454391206 /nfs/dbraw/zinc/39/12/06/454391206.db2.gz VNMRGUVAPDSATP-GHTZIAJQSA-N 2 0 330.516 3.488 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000121123218 454395173 /nfs/dbraw/zinc/39/51/73/454395173.db2.gz APOYIZGDHJOBPO-LLGFUMIMSA-N 2 0 347.522 3.312 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073125483 454398235 /nfs/dbraw/zinc/39/82/35/454398235.db2.gz SFVOPRHLJSJRJB-MRXNPFEDSA-N 2 0 338.455 3.287 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000121327252 454421309 /nfs/dbraw/zinc/42/13/09/454421309.db2.gz ODOGMRLSOIYSMD-HOTGVXAUSA-N 2 0 346.544 3.221 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000091286942 454423176 /nfs/dbraw/zinc/42/31/76/454423176.db2.gz BTLOFAICBRTZNG-OAQYLSRUSA-N 2 0 338.499 3.320 20 0 EGADRP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000091333368 454427364 /nfs/dbraw/zinc/42/73/64/454427364.db2.gz OCNPBVIZBYEJBA-JXFKEZNVSA-N 2 0 333.495 3.283 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091320695 454427915 /nfs/dbraw/zinc/42/79/15/454427915.db2.gz WTWGCWVVLNMKID-RXVVDRJESA-N 2 0 347.547 3.256 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000121394122 454429589 /nfs/dbraw/zinc/42/95/89/454429589.db2.gz WNLBXYBGCHPUMI-QAPCUYQASA-N 2 0 335.511 3.367 20 0 EGADRP O=[S@](CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000121734962 454470577 /nfs/dbraw/zinc/47/05/77/454470577.db2.gz PPBLCDSWRBWREX-DEOSSOPVSA-N 2 0 348.556 3.382 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccco1 ZINC000101660472 454480612 /nfs/dbraw/zinc/48/06/12/454480612.db2.gz PVBBXYFKJLZLNO-VVLHAWIVSA-N 2 0 335.492 3.040 20 0 EGADRP C[C@H](c1ccncc1)[N@H+](C)CCOCC[NH+](C)[C@@H](C)c1ccncc1 ZINC000091988518 454501337 /nfs/dbraw/zinc/50/13/37/454501337.db2.gz RZHDRYBFPVUUCM-HDICACEKSA-N 2 0 342.487 3.179 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000122275133 454518172 /nfs/dbraw/zinc/51/81/72/454518172.db2.gz XFPGIIAGZLZIPC-YLJYHZDGSA-N 2 0 345.531 3.249 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122547092 454545521 /nfs/dbraw/zinc/54/55/21/454545521.db2.gz ZZIYZULOJWWSSK-JKSUJKDBSA-N 2 0 336.480 3.007 20 0 EGADRP CC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000134600761 454566766 /nfs/dbraw/zinc/56/67/66/454566766.db2.gz JWRFCNCMWHCHHM-YFVAEKQCSA-N 2 0 343.515 3.030 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1)C(C)C ZINC000104413682 454585226 /nfs/dbraw/zinc/58/52/26/454585226.db2.gz KABIFLKGTJLFTJ-FQEVSTJZSA-N 2 0 345.531 3.473 20 0 EGADRP COc1ccccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587446 454591523 /nfs/dbraw/zinc/59/15/23/454591523.db2.gz CPIUZADUMIRWCU-IRXDYDNUSA-N 2 0 332.488 3.016 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123341806 454626398 /nfs/dbraw/zinc/62/63/98/454626398.db2.gz FVBOIJMCHYVXHG-HNNXBMFYSA-N 2 0 335.467 3.207 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000634998417 460644914 /nfs/dbraw/zinc/64/49/14/460644914.db2.gz FKXYJARSPBIIHM-QFBILLFUSA-N 2 0 340.467 3.301 20 0 EGADRP FC(F)(F)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051957805 454642158 /nfs/dbraw/zinc/64/21/58/454642158.db2.gz KQDAXMWXCAJKCW-UHFFFAOYSA-N 2 0 342.405 3.250 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000066139371 454659000 /nfs/dbraw/zinc/65/90/00/454659000.db2.gz ZRUKEWPSWNGEEO-KRWDZBQOSA-N 2 0 333.520 3.377 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000093133118 454686864 /nfs/dbraw/zinc/68/68/64/454686864.db2.gz LHHDXGCAFQYUBP-LJQANCHMSA-N 2 0 341.499 3.261 20 0 EGADRP Cc1cccnc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093187962 454690688 /nfs/dbraw/zinc/69/06/88/454690688.db2.gz FGVDFOZRSIEKGR-ROUUACIJSA-N 2 0 331.504 3.101 20 0 EGADRP CCC[NH+]1CCC(NC2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000161613958 454707626 /nfs/dbraw/zinc/70/76/26/454707626.db2.gz IYJUDDWDHVKBLP-UHFFFAOYSA-N 2 0 347.522 3.297 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Cl)c1F ZINC000161674568 454713171 /nfs/dbraw/zinc/71/31/71/454713171.db2.gz RYJFZRXYYKJGAM-INIZCTEOSA-N 2 0 328.859 3.224 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000161711671 454716386 /nfs/dbraw/zinc/71/63/86/454716386.db2.gz JIDWTSPNAIECNM-UYAOXDASSA-N 2 0 348.531 3.273 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)(C)c1ccccc1 ZINC000124333934 454720118 /nfs/dbraw/zinc/72/01/18/454720118.db2.gz MYDIFDSBAGBAJM-GOSISDBHSA-N 2 0 331.548 3.216 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCCNc1ccccn1)c1ccccc1 ZINC000136170659 454725454 /nfs/dbraw/zinc/72/54/54/454725454.db2.gz XPZPGUBNGBAYJP-IBGZPJMESA-N 2 0 340.471 3.083 20 0 EGADRP CN(c1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC000093661092 454726537 /nfs/dbraw/zinc/72/65/37/454726537.db2.gz SWSZDNTVKLDVNL-KDURUIRLSA-N 2 0 327.516 3.305 20 0 EGADRP CC(C)C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000136754749 454754474 /nfs/dbraw/zinc/75/44/74/454754474.db2.gz QFNHHAVRDMOMSD-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000137729290 454784954 /nfs/dbraw/zinc/78/49/54/454784954.db2.gz RCDLANQEYDSOTL-QGZVFWFLSA-N 2 0 347.503 3.078 20 0 EGADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000162590649 454786505 /nfs/dbraw/zinc/78/65/05/454786505.db2.gz SHIXVXPUICJNBG-MRXNPFEDSA-N 2 0 330.476 3.255 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000163109410 454823389 /nfs/dbraw/zinc/82/33/89/454823389.db2.gz OSEWFZSWBIXECQ-OXJNMPFZSA-N 2 0 334.504 3.219 20 0 EGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125538048 454830052 /nfs/dbraw/zinc/83/00/52/454830052.db2.gz VSFLJJZNIJUZMZ-SFHVURJKSA-N 2 0 344.528 3.361 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000125762758 454844743 /nfs/dbraw/zinc/84/47/43/454844743.db2.gz GFSPORZIXPLOHN-DLBZAZTESA-N 2 0 345.487 3.414 20 0 EGADRP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000177270005 454845333 /nfs/dbraw/zinc/84/53/33/454845333.db2.gz JTWOXIPCZCPWCB-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1)CN1CC[NH+](C)CC1 ZINC000177294017 454847205 /nfs/dbraw/zinc/84/72/05/454847205.db2.gz NVCNCUWXBQXPAI-QZTJIDSGSA-N 2 0 325.500 3.374 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cncc(F)c1 ZINC000182227955 455466990 /nfs/dbraw/zinc/46/69/90/455466990.db2.gz YDJAKQNWKLCFST-FOIQADDNSA-N 2 0 343.446 3.028 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000154188611 454873355 /nfs/dbraw/zinc/87/33/55/454873355.db2.gz ZALWNFHMYRDDOF-NQBHXWOUSA-N 2 0 331.323 3.371 20 0 EGADRP C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164300612 454879565 /nfs/dbraw/zinc/87/95/65/454879565.db2.gz MLMJMWDNYRGKIZ-VQIMIIECSA-N 2 0 340.467 3.281 20 0 EGADRP COC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1CC1 ZINC000164528696 454883960 /nfs/dbraw/zinc/88/39/60/454883960.db2.gz JYEMHNLYYRZZGM-FQEVSTJZSA-N 2 0 328.456 3.426 20 0 EGADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000166166614 454908164 /nfs/dbraw/zinc/90/81/64/454908164.db2.gz AGVPUNFVVCODQR-QGZVFWFLSA-N 2 0 330.476 3.049 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000177838029 454912284 /nfs/dbraw/zinc/91/22/84/454912284.db2.gz FILFSDYBMQZJOK-RVKKMQEKSA-N 2 0 341.455 3.350 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@H](C)C1 ZINC000177910813 454918659 /nfs/dbraw/zinc/91/86/59/454918659.db2.gz IHHQHJVGZOOIEB-RHSMWYFYSA-N 2 0 337.895 3.379 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000150978922 454920872 /nfs/dbraw/zinc/92/08/72/454920872.db2.gz RBTCQSGVOHPUAF-ZDUSSCGKSA-N 2 0 327.875 3.156 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168662497 454926694 /nfs/dbraw/zinc/92/66/94/454926694.db2.gz JWGJTSCBDIDHQZ-QGZVFWFLSA-N 2 0 331.504 3.154 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168661619 454926715 /nfs/dbraw/zinc/92/67/15/454926715.db2.gz MIXYHJYNVFNQHO-AEFFLSMTSA-N 2 0 331.504 3.140 20 0 EGADRP CCC[N@@H+]1CC[C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000151114287 454939893 /nfs/dbraw/zinc/93/98/93/454939893.db2.gz KYMRWPKVBHWPDJ-LJQANCHMSA-N 2 0 347.522 3.154 20 0 EGADRP CCOc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OCC ZINC000154902585 454940886 /nfs/dbraw/zinc/94/08/86/454940886.db2.gz UOWJMUMEBSNYNE-BQFCYCMXSA-N 2 0 334.504 3.345 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000151165980 454947276 /nfs/dbraw/zinc/94/72/76/454947276.db2.gz MVNDBAPBVONSFK-QAPCUYQASA-N 2 0 336.907 3.318 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000178699002 454967934 /nfs/dbraw/zinc/96/79/34/454967934.db2.gz SZSUAMHBNUIQAF-XLIONFOSSA-N 3 0 326.488 3.082 20 0 EGADRP FC(F)(F)c1cccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178954797 454993437 /nfs/dbraw/zinc/99/34/37/454993437.db2.gz DECWWMSTUYZVEK-LSDHHAIUSA-N 2 0 328.378 3.301 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000155668488 455028993 /nfs/dbraw/zinc/02/89/93/455028993.db2.gz QFEQDIAHEZZUOJ-ZIAGYGMSSA-N 2 0 327.875 3.156 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000155687699 455031774 /nfs/dbraw/zinc/03/17/74/455031774.db2.gz KEVPYNASJQQJAW-HUUCEWRRSA-N 2 0 343.437 3.382 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000155718821 455035853 /nfs/dbraw/zinc/03/58/53/455035853.db2.gz JFMAWRULZYGGTP-ZWKOTPCHSA-N 2 0 329.532 3.242 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155789828 455046031 /nfs/dbraw/zinc/04/60/31/455046031.db2.gz MCBUPJMYCIGCKS-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc2c(s1)CCCC2 ZINC000128354723 455047918 /nfs/dbraw/zinc/04/79/18/455047918.db2.gz CJFWFHRPXKXZGJ-MRXNPFEDSA-N 2 0 335.561 3.305 20 0 EGADRP CCC[C@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128404129 455053429 /nfs/dbraw/zinc/05/34/29/455053429.db2.gz MBOKYIWNANEECM-OAQYLSRUSA-N 2 0 331.548 3.405 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128500698 455062742 /nfs/dbraw/zinc/06/27/42/455062742.db2.gz DCGHZIMAKFPZOF-SFHVURJKSA-N 2 0 333.520 3.152 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095608 455081168 /nfs/dbraw/zinc/08/11/68/455081168.db2.gz KDSFDDPIQAZVCZ-LRDDRELGSA-N 2 0 339.277 3.071 20 0 EGADRP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000156187597 455090930 /nfs/dbraw/zinc/09/09/30/455090930.db2.gz UVOIKXJJYQNXIC-WAOWUJCRSA-N 3 0 329.532 3.491 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000156417056 455115925 /nfs/dbraw/zinc/11/59/25/455115925.db2.gz ITCMSUIJOHNJMV-APWZRJJASA-N 2 0 329.444 3.244 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000119197753 455131682 /nfs/dbraw/zinc/13/16/82/455131682.db2.gz AWBSGPOGXZPPBY-HOJAQTOUSA-N 2 0 345.531 3.152 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000152590378 455140082 /nfs/dbraw/zinc/14/00/82/455140082.db2.gz NHTIQBJMAZLSTK-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000623657043 460665323 /nfs/dbraw/zinc/66/53/23/460665323.db2.gz ISPVIAZFTJJGLB-CYBMUJFWSA-N 2 0 334.414 3.176 20 0 EGADRP CC(C)Cn1ncnc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000182849179 455177455 /nfs/dbraw/zinc/17/74/55/455177455.db2.gz RBONPDCQBLKYJJ-SFHVURJKSA-N 2 0 347.551 3.411 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000237461167 455186982 /nfs/dbraw/zinc/18/69/82/455186982.db2.gz OZWNONPLGCTTER-HZPDHXFCSA-N 2 0 343.519 3.124 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000237520900 455191628 /nfs/dbraw/zinc/19/16/28/455191628.db2.gz UBCYUZJDLNSHDD-HNNXBMFYSA-N 2 0 341.455 3.043 20 0 EGADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COCC1CCOCC1 ZINC000157414221 455192664 /nfs/dbraw/zinc/19/26/64/455192664.db2.gz IDFQFHQXRJSXTH-UHFFFAOYSA-N 2 0 338.536 3.206 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000157496180 455199888 /nfs/dbraw/zinc/19/98/88/455199888.db2.gz ABFRLDXVFIOYOZ-HKUYNNGSSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC[C@H]21 ZINC000245514837 455319506 /nfs/dbraw/zinc/31/95/06/455319506.db2.gz GKIVDDMIDIWRLD-HMXCVIKNSA-N 2 0 344.499 3.161 20 0 EGADRP C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158703949 455323838 /nfs/dbraw/zinc/32/38/38/455323838.db2.gz PHVXYTSQLMKZJG-MGPQQGTHSA-N 2 0 332.473 3.275 20 0 EGADRP CCCn1nc(C)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246101109 455427016 /nfs/dbraw/zinc/42/70/16/455427016.db2.gz JGDYCAGXACKXEB-PXNSSMCTSA-N 2 0 330.520 3.359 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCOCC(F)(F)F ZINC000184753789 455442458 /nfs/dbraw/zinc/44/24/58/455442458.db2.gz HUSWDHZYBSSCSE-HUUCEWRRSA-N 2 0 344.421 3.312 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000246320430 455471055 /nfs/dbraw/zinc/47/10/55/455471055.db2.gz FIEDFRFFGQTYRJ-RDJZCZTQSA-N 2 0 344.528 3.458 20 0 EGADRP Cc1cnn(CCCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246441231 455490795 /nfs/dbraw/zinc/49/07/95/455490795.db2.gz DEOIMMUIDVPBPD-ICSRJNTNSA-N 2 0 330.520 3.311 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1)c1ccccc1 ZINC000601007943 460674056 /nfs/dbraw/zinc/67/40/56/460674056.db2.gz SNMKWTMQOCRZAY-HKUYNNGSSA-N 2 0 343.515 3.251 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246823525 455527383 /nfs/dbraw/zinc/52/73/83/455527383.db2.gz CJFRHPCFZKCOCY-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246879786 455532575 /nfs/dbraw/zinc/53/25/75/455532575.db2.gz GPGNCJDJTFEZJF-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000246886186 455533287 /nfs/dbraw/zinc/53/32/87/455533287.db2.gz IMTIETYFXFUOMN-VQTJNVASSA-N 2 0 343.515 3.019 20 0 EGADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000185306158 455536713 /nfs/dbraw/zinc/53/67/13/455536713.db2.gz MJFSRINSPOATCL-GOSISDBHSA-N 2 0 339.483 3.400 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247026087 455547056 /nfs/dbraw/zinc/54/70/56/455547056.db2.gz LYHHFDDUNZLEMJ-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000192075752 455553931 /nfs/dbraw/zinc/55/39/31/455553931.db2.gz NHUPSOLBPKJTOE-GUYCJALGSA-N 2 0 326.843 3.274 20 0 EGADRP CCc1nc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cs1 ZINC000247078270 455556769 /nfs/dbraw/zinc/55/67/69/455556769.db2.gz QPNYYPDJTLUAHJ-QAPCUYQASA-N 2 0 344.528 3.143 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000247096426 455558308 /nfs/dbraw/zinc/55/83/08/455558308.db2.gz OJINVIGAYKFHCH-YTQUADARSA-N 3 0 333.520 3.150 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CN1Cc1ccccc1 ZINC000247124480 455563380 /nfs/dbraw/zinc/56/33/80/455563380.db2.gz PYBMMICBIRLVPR-HKUYMTLNSA-N 2 0 328.500 3.443 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247148605 455565870 /nfs/dbraw/zinc/56/58/70/455565870.db2.gz WUEDDZBMTUUWDE-RTBURBONSA-N 3 0 347.547 3.398 20 0 EGADRP CC(C)CN(C(=O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185671676 455592938 /nfs/dbraw/zinc/59/29/38/455592938.db2.gz FNZYPDPJQREHHI-QZTJIDSGSA-N 2 0 337.552 3.122 20 0 EGADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2c[nH+]cn2c1 ZINC000283797420 455595064 /nfs/dbraw/zinc/59/50/64/455595064.db2.gz GNFNEZQFGWSELS-QUCCMNQESA-N 2 0 346.434 3.091 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc2c[nH+]cn2c1 ZINC000283958046 455615008 /nfs/dbraw/zinc/61/50/08/455615008.db2.gz NSZACXGIOXSWJZ-UHFFFAOYSA-N 2 0 334.423 3.225 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000271425897 455631763 /nfs/dbraw/zinc/63/17/63/455631763.db2.gz ABHXMLXJIQTUQW-XUVXKRRUSA-N 2 0 328.500 3.376 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(OC)cc32)[C@H](C)C1 ZINC000247929148 455655723 /nfs/dbraw/zinc/65/57/23/455655723.db2.gz BWMOKAVUDOWORQ-CZAAIQMYSA-N 2 0 346.515 3.409 20 0 EGADRP CCN1CCCC[C@H]1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248007920 455668807 /nfs/dbraw/zinc/66/88/07/455668807.db2.gz KYVMXFOHFZZUPT-MJGOQNOKSA-N 2 0 333.520 3.152 20 0 EGADRP CCC[NH+]1CCC(NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000284332258 455670186 /nfs/dbraw/zinc/67/01/86/455670186.db2.gz KWDBWICVCJHGRY-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000192754962 455687189 /nfs/dbraw/zinc/68/71/89/455687189.db2.gz WOURDRFXTJYGOX-TZIWHRDSSA-N 2 0 329.532 3.281 20 0 EGADRP COCCN1CCC([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000268783765 455714602 /nfs/dbraw/zinc/71/46/02/455714602.db2.gz BTEZSDFUYFFGJD-SWLSCSKDSA-N 2 0 326.531 3.374 20 0 EGADRP CCOc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc(Cl)c1OC ZINC000292691993 455732566 /nfs/dbraw/zinc/73/25/66/455732566.db2.gz BPJOJUYBDKUTSS-GOSISDBHSA-N 2 0 338.879 3.275 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000269011506 455762194 /nfs/dbraw/zinc/76/21/94/455762194.db2.gz NTBWOFZOPSABPT-HNNXBMFYSA-N 2 0 332.488 3.241 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000271797104 455764274 /nfs/dbraw/zinc/76/42/74/455764274.db2.gz IELLSSSBAZXJFV-UHFFFAOYSA-N 2 0 329.669 3.454 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000269040362 455772272 /nfs/dbraw/zinc/77/22/72/455772272.db2.gz GKJXKQFCJGDSLP-BBRMVZONSA-N 2 0 330.419 3.295 20 0 EGADRP CC(=O)NC1CCC([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000271855877 455787481 /nfs/dbraw/zinc/78/74/81/455787481.db2.gz JKWXLJDDIHOUJP-UHFFFAOYSA-N 2 0 345.531 3.182 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000186573583 455797481 /nfs/dbraw/zinc/79/74/81/455797481.db2.gz PCYXGBRLGNQFJR-KBXCAEBGSA-N 2 0 325.447 3.032 20 0 EGADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000252511654 455818662 /nfs/dbraw/zinc/81/86/62/455818662.db2.gz JBHIMWICCLMMMD-OHDICMOHSA-N 2 0 334.504 3.337 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@H]45)[C@@H]3C2)cc1 ZINC000253233053 455832001 /nfs/dbraw/zinc/83/20/01/455832001.db2.gz LQAXPGPFUIIMPX-PMHZBBCSSA-N 2 0 340.511 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000285468634 455851423 /nfs/dbraw/zinc/85/14/23/455851423.db2.gz APYRMSNABQYXFR-HUUCEWRRSA-N 2 0 333.476 3.179 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272191924 455872129 /nfs/dbraw/zinc/87/21/29/455872129.db2.gz MKJPZFRZWMFXHV-FXAWDEMLSA-N 2 0 338.499 3.148 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)[C@H]2CCCC[C@@H]12 ZINC000261638278 455919176 /nfs/dbraw/zinc/91/91/76/455919176.db2.gz FLRSYXPZHWQLTO-HNULKUCHSA-N 2 0 349.563 3.170 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CO2 ZINC000296444837 455940622 /nfs/dbraw/zinc/94/06/22/455940622.db2.gz MWCCPMCVFSQAPS-BQFCYCMXSA-N 2 0 344.499 3.241 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000286109595 455979150 /nfs/dbraw/zinc/97/91/50/455979150.db2.gz NALQENRULUDYRT-NRFANRHFSA-N 2 0 337.467 3.226 20 0 EGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261971747 455979912 /nfs/dbraw/zinc/97/99/12/455979912.db2.gz QHFXPLWDNOXNPB-UHFFFAOYSA-N 2 0 349.544 3.064 20 0 EGADRP Fc1ccc(Cn2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000262029417 455987808 /nfs/dbraw/zinc/98/78/08/455987808.db2.gz XAMCFUVXAOHXFY-HXUWFJFHSA-N 2 0 342.462 3.035 20 0 EGADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(Br)c1 ZINC000219308007 456035613 /nfs/dbraw/zinc/03/56/13/456035613.db2.gz HXZFQJWNAPQXFT-OAHLLOKOSA-N 2 0 329.282 3.068 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000262075996 455993779 /nfs/dbraw/zinc/99/37/79/455993779.db2.gz AEIYQVNWPMRGTK-FRQCXROJSA-N 2 0 331.504 3.051 20 0 EGADRP COCc1cccc(OCC2(C[NH+]3CCC([C@H](C)[NH3+])CC3)CCC2)c1 ZINC000262156571 456005480 /nfs/dbraw/zinc/00/54/80/456005480.db2.gz RZAPWQSFSMDOHP-KRWDZBQOSA-N 2 0 346.515 3.441 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N(C)C)c1 ZINC000262155843 456005656 /nfs/dbraw/zinc/00/56/56/456005656.db2.gz GJOSBPZCBWQYKS-NCYKPQTJSA-N 2 0 345.531 3.198 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000262303606 456023157 /nfs/dbraw/zinc/02/31/57/456023157.db2.gz XWSHLVHDQFBUJC-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]1 ZINC000262327484 456026236 /nfs/dbraw/zinc/02/62/36/456026236.db2.gz DLULINIZGAEVFC-WMZOPIPTSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272677532 456035575 /nfs/dbraw/zinc/03/55/75/456035575.db2.gz MFZKMMUCMDWRJZ-DIQOAJQMSA-N 2 0 348.556 3.034 20 0 EGADRP Cc1cc(C)cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270843968 456051885 /nfs/dbraw/zinc/05/18/85/456051885.db2.gz FPTPJTNHTAINQA-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP c1n[nH]cc1[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000623770208 460712315 /nfs/dbraw/zinc/71/23/15/460712315.db2.gz DCEAANTXHVSWGU-OXJNMPFZSA-N 2 0 346.519 3.264 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)cc1 ZINC000272757858 456061705 /nfs/dbraw/zinc/06/17/05/456061705.db2.gz FOZFWAJWYQYIDP-QGZVFWFLSA-N 2 0 343.515 3.299 20 0 EGADRP CCc1ccc(CC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270982391 456086790 /nfs/dbraw/zinc/08/67/90/456086790.db2.gz XKJWUZGJCKLYFL-UHFFFAOYSA-N 2 0 343.559 3.282 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333091154 456158037 /nfs/dbraw/zinc/15/80/37/456158037.db2.gz CLGHEFIOYKVIRK-OXJNMPFZSA-N 2 0 328.456 3.460 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000271195823 456166393 /nfs/dbraw/zinc/16/63/93/456166393.db2.gz HFXAHBLIFADGJZ-UHFFFAOYSA-N 2 0 340.515 3.158 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329119 456186288 /nfs/dbraw/zinc/18/62/88/456186288.db2.gz NUNJQKZXGBVIDL-NVXWUHKLSA-N 2 0 342.430 3.176 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236821736 456188579 /nfs/dbraw/zinc/18/85/79/456188579.db2.gz WKHZGVPOBFQAQH-IBGZPJMESA-N 2 0 331.504 3.196 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)c1ccccc1 ZINC000236837183 456189658 /nfs/dbraw/zinc/18/96/58/456189658.db2.gz QOOYRFJFLWUMLL-PZJWPPBQSA-N 2 0 339.483 3.060 20 0 EGADRP COc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc(C)nc12 ZINC000301716418 456195228 /nfs/dbraw/zinc/19/52/28/456195228.db2.gz NFCXUOGFDXBFRQ-RDJZCZTQSA-N 2 0 325.456 3.472 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000236907120 456199428 /nfs/dbraw/zinc/19/94/28/456199428.db2.gz DXKKATBFKGLLIA-FQEVSTJZSA-N 2 0 339.483 3.235 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236922592 456202892 /nfs/dbraw/zinc/20/28/92/456202892.db2.gz MQINCUJZKFEBNM-YLJYHZDGSA-N 2 0 345.531 3.170 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189148952 456240546 /nfs/dbraw/zinc/24/05/46/456240546.db2.gz ZNIPHEZWIWOFAS-FGZHOGPDSA-N 2 0 343.559 3.261 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc[nH+]cc2C(N)=O)cc1 ZINC000302214318 456319634 /nfs/dbraw/zinc/31/96/34/456319634.db2.gz IJCZXQBBSNWTSA-HNNXBMFYSA-N 2 0 338.455 3.167 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)C1 ZINC000302241565 456327598 /nfs/dbraw/zinc/32/75/98/456327598.db2.gz XYVIUMFXVUQRID-OAHLLOKOSA-N 2 0 338.455 3.025 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)C1 ZINC000302241564 456328248 /nfs/dbraw/zinc/32/82/48/456328248.db2.gz XYVIUMFXVUQRID-HNNXBMFYSA-N 2 0 338.455 3.025 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000347744136 456343677 /nfs/dbraw/zinc/34/36/77/456343677.db2.gz RJQQORZSXRWWCV-RXVVDRJESA-N 2 0 329.532 3.348 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC000290530886 456354148 /nfs/dbraw/zinc/35/41/48/456354148.db2.gz QQRCPRPKPROYCB-QGZVFWFLSA-N 2 0 342.462 3.380 20 0 EGADRP CN1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340369593 456417452 /nfs/dbraw/zinc/41/74/52/456417452.db2.gz FJGMYLFCAMIFRL-TZIWHRDSSA-N 3 0 327.516 3.286 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000298317248 456422578 /nfs/dbraw/zinc/42/25/78/456422578.db2.gz ICHRHBWEYIQBEB-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP CSC1(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000347884135 456424704 /nfs/dbraw/zinc/42/47/04/456424704.db2.gz QVXLTJPWJAPZIF-IYBDPMFKSA-N 2 0 326.550 3.093 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]C(c2ccccc2)c2ccccc2)CC1(C)C ZINC000282194205 456440366 /nfs/dbraw/zinc/44/03/66/456440366.db2.gz GMZSQENCVWCJPJ-UHFFFAOYSA-N 2 0 337.511 3.392 20 0 EGADRP COCC1(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000340443215 456464338 /nfs/dbraw/zinc/46/43/38/456464338.db2.gz DVYFKJMLXSRDPH-PKOBYXMFSA-N 2 0 331.504 3.088 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000276413213 456472996 /nfs/dbraw/zinc/47/29/96/456472996.db2.gz RXLWBNCROLIZFG-UHFFFAOYSA-N 2 0 345.487 3.298 20 0 EGADRP COc1ccccc1[C@H](CNC1CC[NH+](C2CC2)CC1)[NH+]1CCCC1 ZINC000298549928 456488065 /nfs/dbraw/zinc/48/80/65/456488065.db2.gz UNGRUEXEXZYBIZ-FQEVSTJZSA-N 2 0 343.515 3.049 20 0 EGADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000298793113 456540382 /nfs/dbraw/zinc/54/03/82/456540382.db2.gz BDMOLWRDDQMMDA-INIZCTEOSA-N 2 0 331.504 3.065 20 0 EGADRP CSC1(C[NH2+]Cc2csc(Br)c2)CC[NH+](C)CC1 ZINC000353197812 456553649 /nfs/dbraw/zinc/55/36/49/456553649.db2.gz XKKIWXMOWOCXQD-UHFFFAOYSA-N 2 0 349.363 3.428 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353220158 456569306 /nfs/dbraw/zinc/56/93/06/456569306.db2.gz CHBJCMKFXLCNSG-HNNXBMFYSA-N 2 0 338.565 3.120 20 0 EGADRP CC(C)(CNC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000276968409 456635514 /nfs/dbraw/zinc/63/55/14/456635514.db2.gz XKYGJKRNHDTANF-UHFFFAOYSA-N 2 0 329.532 3.363 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282859388 456648118 /nfs/dbraw/zinc/64/81/18/456648118.db2.gz ULVIUHQJVRVMML-LJQANCHMSA-N 2 0 326.488 3.312 20 0 EGADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000353433534 456695504 /nfs/dbraw/zinc/69/55/04/456695504.db2.gz GVHDKAMQHPELHL-ZDUSSCGKSA-N 2 0 332.469 3.447 20 0 EGADRP CSC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000291675075 456716500 /nfs/dbraw/zinc/71/65/00/456716500.db2.gz WQGUFDFONOEHJP-SFHVURJKSA-N 2 0 334.529 3.153 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000353517307 456730036 /nfs/dbraw/zinc/73/00/36/456730036.db2.gz KDMDIYAENSADIJ-UHFFFAOYSA-N 2 0 347.890 3.431 20 0 EGADRP CCc1nc(C)c([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)s1 ZINC000353625271 456812021 /nfs/dbraw/zinc/81/20/21/456812021.db2.gz FTBKBICYLOLCHG-LBPRGKRZSA-N 2 0 327.563 3.492 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](C[C@H]4CCCOC4)C3)CC2)cc1 ZINC000353642191 456824227 /nfs/dbraw/zinc/82/42/27/456824227.db2.gz GUCPBWFBAZTZMS-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000341721163 456914500 /nfs/dbraw/zinc/91/45/00/456914500.db2.gz KHIZCJOQWOTFTI-UHFFFAOYSA-N 2 0 337.458 3.496 20 0 EGADRP C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000353867876 456942446 /nfs/dbraw/zinc/94/24/46/456942446.db2.gz ORSGNAYGJIVESV-MRXNPFEDSA-N 2 0 338.455 3.126 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000345168215 456951466 /nfs/dbraw/zinc/95/14/66/456951466.db2.gz SPTHVZGMIYKWAY-RMJJICAUSA-N 2 0 326.488 3.018 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000349376119 456956714 /nfs/dbraw/zinc/95/67/14/456956714.db2.gz FBKMXLVCWJZGQS-SJORKVTESA-N 2 0 335.561 3.475 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000345205325 456967020 /nfs/dbraw/zinc/96/70/20/456967020.db2.gz KACZCSNXUVPUQZ-IERDGZPVSA-N 2 0 340.515 3.352 20 0 EGADRP CCOC(=O)c1coc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000353940911 456973290 /nfs/dbraw/zinc/97/32/90/456973290.db2.gz DBPRYXRUSHIVSR-UHFFFAOYSA-N 2 0 342.439 3.211 20 0 EGADRP CCc1nc2c(s1)[C@@H]([NH2+]CCOCC[NH+](CC)CC)CCC2 ZINC000349665028 457010436 /nfs/dbraw/zinc/01/04/36/457010436.db2.gz MQSASTDCFMUJNJ-AWEZNQCLSA-N 2 0 325.522 3.031 20 0 EGADRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000356535233 457041769 /nfs/dbraw/zinc/04/17/69/457041769.db2.gz XCKCDEHLWZPUKO-RBUKOAKNSA-N 2 0 337.467 3.050 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC(OC)CC2)[C@@H](C)C1 ZINC000359007334 457046827 /nfs/dbraw/zinc/04/68/27/457046827.db2.gz ZTBQBWNYLFRPPP-IQNGYNMSSA-N 2 0 340.552 3.308 20 0 EGADRP CCSc1cccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000349824030 457067344 /nfs/dbraw/zinc/06/73/44/457067344.db2.gz XGUJYQCYLURQNM-UHFFFAOYSA-N 2 0 335.561 3.304 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000346639195 457085850 /nfs/dbraw/zinc/08/58/50/457085850.db2.gz JPHLYSWVIFUIBA-UHFFFAOYSA-N 2 0 334.414 3.176 20 0 EGADRP Cc1cc(Br)ccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346655287 457096057 /nfs/dbraw/zinc/09/60/57/457096057.db2.gz FYDNQYFYTBQVJC-UHFFFAOYSA-N 2 0 341.293 3.087 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346692884 457114451 /nfs/dbraw/zinc/11/44/51/457114451.db2.gz JOEUTBUBWABJPZ-BEFAXECRSA-N 2 0 326.488 3.026 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]21 ZINC000342141443 457132161 /nfs/dbraw/zinc/13/21/61/457132161.db2.gz VAUXSQXWSSDRMJ-HLAWJBBLSA-N 2 0 349.478 3.498 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225752 457142203 /nfs/dbraw/zinc/14/22/03/457142203.db2.gz YLUPRWXLRNSYPL-YOEHRIQHSA-N 2 0 337.895 3.473 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000354382101 457188937 /nfs/dbraw/zinc/18/89/37/457188937.db2.gz CNSIKYZTPBMERM-AZUAARDMSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347042758 457200325 /nfs/dbraw/zinc/20/03/25/457200325.db2.gz MBUOKMSSJUTCHC-AEFFLSMTSA-N 2 0 325.456 3.220 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000339679315 457208755 /nfs/dbraw/zinc/20/87/55/457208755.db2.gz BJGPNOZDZRNRSW-RDJZCZTQSA-N 2 0 349.544 3.037 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000360070698 457238640 /nfs/dbraw/zinc/23/86/40/457238640.db2.gz GTJLNBRCTIZCMF-UHFFFAOYSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000354477123 457247085 /nfs/dbraw/zinc/24/70/85/457247085.db2.gz JQFWABUNLSWHNB-MJGOQNOKSA-N 2 0 331.504 3.011 20 0 EGADRP CCc1cc(OC)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000354507354 457262908 /nfs/dbraw/zinc/26/29/08/457262908.db2.gz VWQHCYFKXQJEBJ-YOFSQIOKSA-N 2 0 346.515 3.331 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)CC1CC1 ZINC000357087463 457315975 /nfs/dbraw/zinc/31/59/75/457315975.db2.gz PZLXVPNETIDDEK-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1)CC1CC1 ZINC000357091082 457317147 /nfs/dbraw/zinc/31/71/47/457317147.db2.gz WDTYSHHGHIKKOW-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000354811364 457320749 /nfs/dbraw/zinc/32/07/49/457320749.db2.gz MJTUXCHMLZXOBE-IYWMVGAKSA-N 2 0 349.563 3.361 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000357314270 457440488 /nfs/dbraw/zinc/44/04/88/457440488.db2.gz YROSYUXVWHQHGO-GPMSIDNRSA-N 2 0 331.504 3.035 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000357340385 457459000 /nfs/dbraw/zinc/45/90/00/457459000.db2.gz BJHIZFMCGBWDKL-CTNGQTDRSA-N 2 0 345.531 3.122 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000369965725 457481893 /nfs/dbraw/zinc/48/18/93/457481893.db2.gz ZYWIONJOUOHSFF-QUCCMNQESA-N 2 0 343.515 3.028 20 0 EGADRP Clc1ccc2c(c1)[C@@H]([NH+]1CCC(C[NH+]3CCOCC3)CC1)CC2 ZINC000342765114 457509710 /nfs/dbraw/zinc/50/97/10/457509710.db2.gz LVROTOLPFOCWJJ-IBGZPJMESA-N 2 0 334.891 3.372 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425359820 457517673 /nfs/dbraw/zinc/51/76/73/457517673.db2.gz SZDZQEYBTVTARF-VQTJNVASSA-N 2 0 329.532 3.171 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC(F)F ZINC000404419125 457543264 /nfs/dbraw/zinc/54/32/64/457543264.db2.gz HRFPIOYKTUXWSK-GXTWGEPZSA-N 2 0 328.403 3.246 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CC[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000425421944 457545265 /nfs/dbraw/zinc/54/52/65/457545265.db2.gz MRSDOAJPOUZFQN-LJQANCHMSA-N 2 0 332.488 3.140 20 0 EGADRP Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c(C[NH+](C)C)c1 ZINC000457566117 457653387 /nfs/dbraw/zinc/65/33/87/457653387.db2.gz IEHWHCZKSKQYOJ-UHFFFAOYSA-N 2 0 329.488 3.260 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357785481 457688128 /nfs/dbraw/zinc/68/81/28/457688128.db2.gz CQTPZOCTCNVBSI-UWJYYQICSA-N 2 0 343.515 3.209 20 0 EGADRP COCC1(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000361324074 457693015 /nfs/dbraw/zinc/69/30/15/457693015.db2.gz LKSUMDMFPMJGBZ-HDICACEKSA-N 2 0 338.536 3.014 20 0 EGADRP Fc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c(F)c1 ZINC000370670445 457696452 /nfs/dbraw/zinc/69/64/52/457696452.db2.gz BRICGTJVKLDZKC-DLBZAZTESA-N 2 0 335.442 3.150 20 0 EGADRP Cc1csc(N2CCC([NH2+]C[C@@H](C)N3CCCC[C@H]3C)CC2)n1 ZINC000361344235 457700640 /nfs/dbraw/zinc/70/06/40/457700640.db2.gz RLKMKGSUCBJSKH-HZPDHXFCSA-N 2 0 336.549 3.273 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1)C(C)C ZINC000370785254 457718342 /nfs/dbraw/zinc/71/83/42/457718342.db2.gz DNIPCWCDNNEIJE-UHFFFAOYSA-N 2 0 343.515 3.274 20 0 EGADRP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374911605 457732586 /nfs/dbraw/zinc/73/25/86/457732586.db2.gz JDRNAXWIXLROCM-NTSGDEEZSA-N 2 0 336.479 3.145 20 0 EGADRP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374911613 457732914 /nfs/dbraw/zinc/73/29/14/457732914.db2.gz JDRNAXWIXLROCM-ZHODDXKCSA-N 2 0 336.479 3.145 20 0 EGADRP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358042622 457749381 /nfs/dbraw/zinc/74/93/81/457749381.db2.gz VYYILZNLBKDRBV-QFBILLFUSA-N 2 0 345.531 3.282 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)NC2(c3ccccc3)CCCCC2)CC1 ZINC000433117804 457761073 /nfs/dbraw/zinc/76/10/73/457761073.db2.gz ORAYBYPREICXBX-UHFFFAOYSA-N 2 0 343.515 3.166 20 0 EGADRP CCOC(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)OCC ZINC000375117206 457799067 /nfs/dbraw/zinc/79/90/67/457799067.db2.gz YXMACQPOBARYMV-UHFFFAOYSA-N 2 0 346.515 3.374 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000358164659 457827896 /nfs/dbraw/zinc/82/78/96/457827896.db2.gz IHJWSMWHHIJHHW-KGLIPLIRSA-N 2 0 336.430 3.294 20 0 EGADRP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000411220497 457832429 /nfs/dbraw/zinc/83/24/29/457832429.db2.gz LUFKPQNVIYSGTK-PMACEKPBSA-N 2 0 332.463 3.116 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CN[C@@H](C)c3cccc(O)c3)sc2C1 ZINC000444036350 457844671 /nfs/dbraw/zinc/84/46/71/457844671.db2.gz SVUMIMVAAMMUDZ-ZDUSSCGKSA-N 2 0 331.485 3.466 20 0 EGADRP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411444117 457890694 /nfs/dbraw/zinc/89/06/94/457890694.db2.gz ZOAKFLSDROELCG-IBGZPJMESA-N 2 0 331.504 3.106 20 0 EGADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411530814 457912056 /nfs/dbraw/zinc/91/20/56/457912056.db2.gz KGXOABQJDZCJHA-IRXDYDNUSA-N 2 0 332.488 3.350 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000367199231 457934377 /nfs/dbraw/zinc/93/43/77/457934377.db2.gz JBWNHYAIYMIKTO-SFHVURJKSA-N 2 0 343.515 3.438 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411645155 457937892 /nfs/dbraw/zinc/93/78/92/457937892.db2.gz KPRPDGKLQRMIMO-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP CCCOc1c(Cl)cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427105706 457943777 /nfs/dbraw/zinc/94/37/77/457943777.db2.gz ABHWIBOHTAPABF-GDBMZVCRSA-N 2 0 338.879 3.321 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)[C@@H](C)C1 ZINC000361921710 457956343 /nfs/dbraw/zinc/95/63/43/457956343.db2.gz CMVBJBYEFPNKKQ-OALUTQOASA-N 2 0 340.552 3.046 20 0 EGADRP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)ccc1F ZINC000358498594 458040758 /nfs/dbraw/zinc/04/07/58/458040758.db2.gz CWTVTDMCSAXPOJ-AWEZNQCLSA-N 2 0 344.434 3.321 20 0 EGADRP Cc1sc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1C ZINC000368535302 458043722 /nfs/dbraw/zinc/04/37/22/458043722.db2.gz VPSWOECHQMPIKG-UHFFFAOYSA-N 2 0 349.544 3.420 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000358614043 458108642 /nfs/dbraw/zinc/10/86/42/458108642.db2.gz ZYLKAQDEPKJIEZ-OXJNMPFZSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2ccccc2nc1N1CCCCC1 ZINC000435375216 458124698 /nfs/dbraw/zinc/12/46/98/458124698.db2.gz UCEVOBCVCGTPPT-DLBZAZTESA-N 2 0 338.499 3.394 20 0 EGADRP CCCN(Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000435379178 458127755 /nfs/dbraw/zinc/12/77/55/458127755.db2.gz LIGLGMMTKQEOOQ-CQSZACIVSA-N 2 0 346.393 3.210 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]21 ZINC000435384899 458132382 /nfs/dbraw/zinc/13/23/82/458132382.db2.gz OTAVXNWYKJAZHT-YSIASYRMSA-N 2 0 337.467 3.220 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000435386137 458132721 /nfs/dbraw/zinc/13/27/21/458132721.db2.gz VIUDNFPBNXXYHG-QGZVFWFLSA-N 2 0 346.906 3.372 20 0 EGADRP C[C@@H](CC1CCOCC1)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435390418 458133465 /nfs/dbraw/zinc/13/34/65/458133465.db2.gz PBIWCKZHXMIGTM-RXVVDRJESA-N 2 0 345.531 3.479 20 0 EGADRP COc1cc(CN(C)[C@@H](C)C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000435389188 458133526 /nfs/dbraw/zinc/13/35/26/458133526.db2.gz KZLRBGMLQDEDET-AWEZNQCLSA-N 2 0 332.419 3.192 20 0 EGADRP COCc1cccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435388953 458134271 /nfs/dbraw/zinc/13/42/71/458134271.db2.gz IJYCSOGZCDCADJ-NRFANRHFSA-N 2 0 339.483 3.372 20 0 EGADRP COc1ccccc1CN(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435436849 458145914 /nfs/dbraw/zinc/14/59/14/458145914.db2.gz HPTQJGYMIOPQPC-OAHLLOKOSA-N 2 0 331.485 3.072 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000372010318 458159811 /nfs/dbraw/zinc/15/98/11/458159811.db2.gz OIZRFFZFSKCAIK-UYSNPLJNSA-N 2 0 347.469 3.113 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376204037 458232298 /nfs/dbraw/zinc/23/22/98/458232298.db2.gz VQMBNMSQQAJINN-GHTZIAJQSA-N 2 0 343.559 3.442 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362521977 458243156 /nfs/dbraw/zinc/24/31/56/458243156.db2.gz ACRFCPNCVQLNCK-HDICACEKSA-N 2 0 345.531 3.236 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000428978628 458246321 /nfs/dbraw/zinc/24/63/21/458246321.db2.gz KRULSVWMWSHQBU-APWZRJJASA-N 2 0 331.504 3.036 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000436278144 458281267 /nfs/dbraw/zinc/28/12/67/458281267.db2.gz CCOXZVRCFDNZJE-UHFFFAOYSA-N 2 0 325.456 3.366 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000447604236 458320483 /nfs/dbraw/zinc/32/04/83/458320483.db2.gz ZKNSYOKWWHSIFN-AWEZNQCLSA-N 2 0 347.322 3.130 20 0 EGADRP Cc1ccc(CCC[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000414890379 458326645 /nfs/dbraw/zinc/32/66/45/458326645.db2.gz HGVAJWXDWHYHNX-WOJBJXKFSA-N 3 0 327.447 3.197 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459379612 458350927 /nfs/dbraw/zinc/35/09/27/458350927.db2.gz SNIYFKWFTXVSMQ-KDURUIRLSA-N 3 0 344.547 3.398 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+]C3CCN(C4CC4)CC3)CC2)c1 ZINC000459385063 458354454 /nfs/dbraw/zinc/35/44/54/458354454.db2.gz FOZUOIDLYXKMCP-UHFFFAOYSA-N 2 0 333.545 3.177 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000448058457 458385033 /nfs/dbraw/zinc/38/50/33/458385033.db2.gz OCKUIYJTLINOQF-UHFFFAOYSA-N 2 0 327.516 3.246 20 0 EGADRP c1ccc2c(c1)CCOC21CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000459522961 458399100 /nfs/dbraw/zinc/39/91/00/458399100.db2.gz MKYUPKIPCHPZOJ-UHFFFAOYSA-N 2 0 328.500 3.426 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000423429445 458431067 /nfs/dbraw/zinc/43/10/67/458431067.db2.gz HBKLNTSAKXOJGD-DFQSSKMNSA-N 2 0 343.421 3.427 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[C@H]3CCC[N@H+](C)C3)ccc21 ZINC000459627897 458431271 /nfs/dbraw/zinc/43/12/71/458431271.db2.gz YCDANVJGBDPCME-DNVCBOLYSA-N 2 0 344.503 3.089 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423436746 458432083 /nfs/dbraw/zinc/43/20/83/458432083.db2.gz UAZMGLPAXDITTI-MSOLQXFVSA-N 2 0 331.504 3.093 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000423440444 458433880 /nfs/dbraw/zinc/43/38/80/458433880.db2.gz XGWVAGFUMZWWJB-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000423442606 458433951 /nfs/dbraw/zinc/43/39/51/458433951.db2.gz ZHRPHNYBISDYSI-DLBZAZTESA-N 2 0 339.483 3.347 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423455642 458435592 /nfs/dbraw/zinc/43/55/92/458435592.db2.gz MSVZKENSIMCSIO-GHMZBOCLSA-N 2 0 332.229 3.069 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423452586 458435667 /nfs/dbraw/zinc/43/56/67/458435667.db2.gz ZFKQKJWZDKPIBR-HKUYNNGSSA-N 2 0 343.515 3.047 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423470913 458437580 /nfs/dbraw/zinc/43/75/80/458437580.db2.gz ZIWPNCKMCOEZQZ-VMRPVKRXSA-N 2 0 343.515 3.107 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc2c(s1)CCC2 ZINC000459658662 458438349 /nfs/dbraw/zinc/43/83/49/458438349.db2.gz YPYVMCSZFYWHCM-CYBMUJFWSA-N 2 0 328.485 3.346 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423493714 458443318 /nfs/dbraw/zinc/44/33/18/458443318.db2.gz QVNFXOHZGZKCGU-CORIIIEPSA-N 2 0 333.867 3.007 20 0 EGADRP NC1(C[NH2+][C@@H]2CCCc3occc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423550262 458455977 /nfs/dbraw/zinc/45/59/77/458455977.db2.gz FOJMVZJUTPHMIG-LJQANCHMSA-N 2 0 339.483 3.240 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459725966 458458104 /nfs/dbraw/zinc/45/81/04/458458104.db2.gz FTXXYEYLTJGLQQ-CYBMUJFWSA-N 2 0 341.293 3.279 20 0 EGADRP Cc1nn2c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)c(C(C)C)nc2s1 ZINC000459724405 458458577 /nfs/dbraw/zinc/45/85/77/458458577.db2.gz DKCSPJDQIXTGSV-AWEZNQCLSA-N 2 0 335.521 3.044 20 0 EGADRP COc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000459732724 458460217 /nfs/dbraw/zinc/46/02/17/458460217.db2.gz MQLAVWUYPCNORR-ZDUSSCGKSA-N 2 0 328.403 3.118 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000459738362 458463110 /nfs/dbraw/zinc/46/31/10/458463110.db2.gz RQSOZMMHQZGYBD-HNNXBMFYSA-N 2 0 332.879 3.347 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000430592838 458467651 /nfs/dbraw/zinc/46/76/51/458467651.db2.gz IFIRSNHQODDLIH-AWEZNQCLSA-N 2 0 337.895 3.297 20 0 EGADRP O=C(CCN1CCC[NH2+]CC1)Nc1ccccc1Oc1ccccc1 ZINC000430617065 458471796 /nfs/dbraw/zinc/47/17/96/458471796.db2.gz JSQYKZPRCQJRNR-UHFFFAOYSA-N 2 0 339.439 3.103 20 0 EGADRP [NH3+]C[C@H]1CCCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430614383 458471807 /nfs/dbraw/zinc/47/18/07/458471807.db2.gz YXKTUEQXBNEPRA-MRXNPFEDSA-N 2 0 339.439 3.088 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000459780949 458477619 /nfs/dbraw/zinc/47/76/19/458477619.db2.gz MAQZTJQINMNTLI-HLAWJBBLSA-N 2 0 329.532 3.361 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000459800220 458482999 /nfs/dbraw/zinc/48/29/99/458482999.db2.gz ZIHIJZUGCAGNQW-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c2)CC1 ZINC000423856730 458499086 /nfs/dbraw/zinc/49/90/86/458499086.db2.gz XZQLQOZLOJCHNG-GOSISDBHSA-N 2 0 331.504 3.273 20 0 EGADRP Fc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Br ZINC000430920733 458505002 /nfs/dbraw/zinc/50/50/02/458505002.db2.gz WCXUCLGHLMCYIG-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000430925640 458506732 /nfs/dbraw/zinc/50/67/32/458506732.db2.gz LMTLTEBDRMSGAE-INIZCTEOSA-N 2 0 337.467 3.498 20 0 EGADRP C[C@@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430946811 458508976 /nfs/dbraw/zinc/50/89/76/458508976.db2.gz YBZQFUBBOONYRQ-DNVCBOLYSA-N 2 0 339.439 3.087 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423912524 458511804 /nfs/dbraw/zinc/51/18/04/458511804.db2.gz WDWCUNUXCLQBGS-HSALFYBXSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000460380177 458514927 /nfs/dbraw/zinc/51/49/27/458514927.db2.gz LWFZIEVIVGNNJQ-GSEOLPGOSA-N 2 0 343.515 3.059 20 0 EGADRP FC(F)(F)c1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431012501 458516344 /nfs/dbraw/zinc/51/63/44/458516344.db2.gz FMOYDNICXAXTQZ-UHFFFAOYSA-N 2 0 328.378 3.160 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1F ZINC000431040953 458519396 /nfs/dbraw/zinc/51/93/96/458519396.db2.gz QAVAQZHYHYALGU-CQSZACIVSA-N 2 0 344.434 3.321 20 0 EGADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](CC2CC2)CC1)CC1CCCCC1 ZINC000424136527 458568070 /nfs/dbraw/zinc/56/80/70/458568070.db2.gz QTZPKFJHGRJXRO-SFHVURJKSA-N 2 0 335.536 3.055 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424159385 458574319 /nfs/dbraw/zinc/57/43/19/458574319.db2.gz SLPLDTQFONGVEK-RTBURBONSA-N 2 0 337.552 3.301 20 0 EGADRP [NH3+][C@@H](CCC(=O)NC[C@H]1[NH2+]CCc2ccccc21)CC1CCCCC1 ZINC000424163393 458575394 /nfs/dbraw/zinc/57/53/94/458575394.db2.gz DRKVUOPVTJNJAS-AZUAARDMSA-N 2 0 343.515 3.068 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000438555723 458598394 /nfs/dbraw/zinc/59/83/94/458598394.db2.gz RMOUWZRERYCFLD-VQTJNVASSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(OC[C@H]3CCCO3)cc1)CC[NH2+]CC2 ZINC000424282670 458602314 /nfs/dbraw/zinc/60/23/14/458602314.db2.gz AACXMPUKEQNHTF-FXAWDEMLSA-N 2 0 344.499 3.208 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424285173 458603388 /nfs/dbraw/zinc/60/33/88/458603388.db2.gz FKECGLMGBIQFFB-MRXNPFEDSA-N 2 0 329.488 3.213 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431758180 458618087 /nfs/dbraw/zinc/61/80/87/458618087.db2.gz LEOSUPLGLGDBQP-FQEVSTJZSA-N 2 0 339.483 3.057 20 0 EGADRP CCOc1c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)nn1CC(C)C ZINC000424375876 458627959 /nfs/dbraw/zinc/62/79/59/458627959.db2.gz KJCRDUYAWIWUBR-MRXNPFEDSA-N 2 0 348.535 3.210 20 0 EGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000456361141 458646056 /nfs/dbraw/zinc/64/60/56/458646056.db2.gz VPGFKWLDNSQVJC-LJQANCHMSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494483470 458686694 /nfs/dbraw/zinc/68/66/94/458686694.db2.gz DGGJOKTYUUEIAD-LSDHHAIUSA-N 2 0 327.513 3.141 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@H]3CCC[C@@H]([NH3+])C3)CC2)c(OC)c1 ZINC000530213706 458718590 /nfs/dbraw/zinc/71/85/90/458718590.db2.gz VKVUAERALDEIBL-CVEARBPZSA-N 2 0 348.487 3.162 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]CC2CCC(C(F)(F)F)CC2)CCCO1 ZINC000432351174 458721230 /nfs/dbraw/zinc/72/12/30/458721230.db2.gz JRXICCJYAQCDOP-QQFBHYJXSA-N 2 0 336.442 3.446 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)cc2c(C)c1 ZINC000432352147 458721573 /nfs/dbraw/zinc/72/15/73/458721573.db2.gz WAGPLCFIPRDFTC-QGZVFWFLSA-N 2 0 329.488 3.375 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471839630 458740296 /nfs/dbraw/zinc/74/02/96/458740296.db2.gz YLZOMHYUGWYVMG-QUCCMNQESA-N 2 0 327.472 3.464 20 0 EGADRP CCCc1noc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852370 458743541 /nfs/dbraw/zinc/74/35/41/458743541.db2.gz VSQUNAUADVGBIF-QZTJIDSGSA-N 2 0 342.487 3.194 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000547733457 458781888 /nfs/dbraw/zinc/78/18/88/458781888.db2.gz ZULGSCUMYCHEPJ-IBGZPJMESA-N 2 0 335.536 3.118 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([N@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432800876 458790389 /nfs/dbraw/zinc/79/03/89/458790389.db2.gz RNTJHQASIDIRFY-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000547832145 458802248 /nfs/dbraw/zinc/80/22/48/458802248.db2.gz LHZDHOJPCWFUOR-JOCHJYFZSA-N 2 0 341.543 3.361 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548124628 458841873 /nfs/dbraw/zinc/84/18/73/458841873.db2.gz KLZLKLBRLHPECI-BBRMVZONSA-N 2 0 339.911 3.226 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440822922 458858294 /nfs/dbraw/zinc/85/82/94/458858294.db2.gz FENZGAOYYDVHDF-CHWSQXEVSA-N 2 0 332.414 3.276 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1 ZINC000440937433 458868980 /nfs/dbraw/zinc/86/89/80/458868980.db2.gz PIMDESLBUGRMHM-APWZRJJASA-N 2 0 343.515 3.274 20 0 EGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000474730412 458899419 /nfs/dbraw/zinc/89/94/19/458899419.db2.gz IAERFXWEJHJPDE-PCCBWWKXSA-N 2 0 330.516 3.346 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000474882046 458904415 /nfs/dbraw/zinc/90/44/15/458904415.db2.gz XUGAZSUCALAYJO-HKUYNNGSSA-N 2 0 346.515 3.466 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C1 ZINC000577079787 458978420 /nfs/dbraw/zinc/97/84/20/458978420.db2.gz UVVIFLFIEGTMIL-QFBILLFUSA-N 2 0 332.419 3.290 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495876063 458989032 /nfs/dbraw/zinc/98/90/32/458989032.db2.gz NBRYTCUKCHMVQU-WBVHZDCISA-N 2 0 339.524 3.238 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566863619 459012571 /nfs/dbraw/zinc/01/25/71/459012571.db2.gz DPFOJGFHDVBKBN-MRXNPFEDSA-N 2 0 337.895 3.453 20 0 EGADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556891679 459027858 /nfs/dbraw/zinc/02/78/58/459027858.db2.gz FEOOABNRAJHRRY-SQEGATDGSA-N 2 0 330.516 3.426 20 0 EGADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556891677 459028716 /nfs/dbraw/zinc/02/87/16/459028716.db2.gz FEOOABNRAJHRRY-JZTRKIHISA-N 2 0 330.516 3.426 20 0 EGADRP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761390 459033063 /nfs/dbraw/zinc/03/30/63/459033063.db2.gz PZWPDTYJSOTTLY-PBWFPOADSA-N 2 0 344.377 3.179 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1(C)C ZINC000442878702 459050245 /nfs/dbraw/zinc/05/02/45/459050245.db2.gz ULUJKNJPUXRQQT-PMACEKPBSA-N 2 0 329.532 3.328 20 0 EGADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496124991 459075810 /nfs/dbraw/zinc/07/58/10/459075810.db2.gz QUONLAKZLVNOMK-JKSUJKDBSA-N 2 0 339.524 3.286 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1F ZINC000443057380 459079268 /nfs/dbraw/zinc/07/92/68/459079268.db2.gz GNMNCKLMIHGMKM-UONOGXRCSA-N 2 0 332.423 3.306 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000443064249 459081532 /nfs/dbraw/zinc/08/15/32/459081532.db2.gz XTJPASAZNRUFQL-QGZVFWFLSA-N 2 0 337.467 3.500 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000532505497 459102400 /nfs/dbraw/zinc/10/24/00/459102400.db2.gz LVKVDOVTYLWEIH-HOCLYGCPSA-N 2 0 340.895 3.236 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)ccc1F ZINC000479053997 459120681 /nfs/dbraw/zinc/12/06/81/459120681.db2.gz CLNOGKZVLJKMEG-IBGZPJMESA-N 2 0 339.474 3.279 20 0 EGADRP CC(C)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1F ZINC000479340599 459134201 /nfs/dbraw/zinc/13/42/01/459134201.db2.gz ZZRCQKQNSCPZQR-IBGZPJMESA-N 2 0 339.474 3.278 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000496304008 459143886 /nfs/dbraw/zinc/14/38/86/459143886.db2.gz HOYDQICQHANHOA-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[C@H]1CC[C@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)CC1 ZINC000532797758 459147060 /nfs/dbraw/zinc/14/70/60/459147060.db2.gz SOFWGDXMUXBUQI-QAQDUYKDSA-N 2 0 344.503 3.234 20 0 EGADRP Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000578249874 459170571 /nfs/dbraw/zinc/17/05/71/459170571.db2.gz DNZCLVCIHLVXIV-ZFWWWQNUSA-N 2 0 349.316 3.380 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480161955 459185682 /nfs/dbraw/zinc/18/56/82/459185682.db2.gz KLSWWWUFWRYAIL-LJQANCHMSA-N 3 0 347.547 3.400 20 0 EGADRP CSC1(C[NH2+]Cc2cc(F)ccc2OC(F)F)CC[NH+](C)CC1 ZINC000594944917 459187553 /nfs/dbraw/zinc/18/75/53/459187553.db2.gz SUWAMUZEEFESTE-UHFFFAOYSA-N 2 0 348.434 3.344 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496432291 459190585 /nfs/dbraw/zinc/19/05/85/459190585.db2.gz AJLFHPLPGVTCPI-RDJZCZTQSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480701977 459214124 /nfs/dbraw/zinc/21/41/24/459214124.db2.gz VOZXXECGMGBTSY-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000481153636 459236286 /nfs/dbraw/zinc/23/62/86/459236286.db2.gz JOCKFZAWVBIYEE-CEXWTWQISA-N 2 0 347.547 3.398 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@H](c2nccn2C)C1 ZINC000533866378 459274816 /nfs/dbraw/zinc/27/48/16/459274816.db2.gz CEZZERRQGMYGND-INIZCTEOSA-N 2 0 340.471 3.280 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000568381985 459278957 /nfs/dbraw/zinc/27/89/57/459278957.db2.gz HFUPDUWAQSXMEF-UHFFFAOYSA-N 2 0 339.430 3.003 20 0 EGADRP CC[NH2+]CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000568618495 459317055 /nfs/dbraw/zinc/31/70/55/459317055.db2.gz KHSNPEKSAISXGA-INIZCTEOSA-N 2 0 325.294 3.359 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN1CCCO)CCC2 ZINC000568628230 459319368 /nfs/dbraw/zinc/31/93/68/459319368.db2.gz PDLRMUCJERAEQJ-QFBILLFUSA-N 2 0 334.529 3.222 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1-n1cncn1 ZINC000534347146 459319612 /nfs/dbraw/zinc/31/96/12/459319612.db2.gz HWFCGTJCMRVETD-UHFFFAOYSA-N 2 0 341.503 3.128 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659329 459324087 /nfs/dbraw/zinc/32/40/87/459324087.db2.gz MOHFQFFVKRJBOP-JLSDUUJJSA-N 2 0 349.494 3.231 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000582215888 459326173 /nfs/dbraw/zinc/32/61/73/459326173.db2.gz SVDLINXXORVJIX-HNNXBMFYSA-N 2 0 329.488 3.344 20 0 EGADRP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000560460447 459351029 /nfs/dbraw/zinc/35/10/29/459351029.db2.gz MHYBRKINUNQZPT-IBGZPJMESA-N 2 0 335.923 3.249 20 0 EGADRP C[NH+](C)CCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000560521311 459364730 /nfs/dbraw/zinc/36/47/30/459364730.db2.gz BNYSKHLXRZFFJU-QHAWAJNXSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000483817470 459395053 /nfs/dbraw/zinc/39/50/53/459395053.db2.gz KLESMMOBDARPGW-GZBFAFLISA-N 2 0 341.293 3.289 20 0 EGADRP CSC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000569110983 459398509 /nfs/dbraw/zinc/39/85/09/459398509.db2.gz LRYKNNHCICSORF-LJQANCHMSA-N 2 0 336.545 3.265 20 0 EGADRP COc1cc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000583071855 459476739 /nfs/dbraw/zinc/47/67/39/459476739.db2.gz VYBFBMYCZKDJRK-JSGCOSHPSA-N 2 0 328.403 3.117 20 0 EGADRP C[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078373 459478477 /nfs/dbraw/zinc/47/84/77/459478477.db2.gz YPQMCMGWXOKKKI-IEBWSBKVSA-N 2 0 338.499 3.447 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497221611 459492503 /nfs/dbraw/zinc/49/25/03/459492503.db2.gz NBRYTCUKCHMVQU-NVXWUHKLSA-N 2 0 339.524 3.238 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497238478 459498245 /nfs/dbraw/zinc/49/82/45/459498245.db2.gz YJQIKPRTLJGXKM-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000541852995 459498860 /nfs/dbraw/zinc/49/88/60/459498860.db2.gz QIGDWGGORAAIKU-NRFANRHFSA-N 2 0 345.506 3.379 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000497303449 459522207 /nfs/dbraw/zinc/52/22/07/459522207.db2.gz AYWYOXQYLWMWRX-ZACQAIPSSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1cccn2cc(-c3ccc(NC(=O)CC[NH2+]C4CC4)cc3)nc12 ZINC000583510003 459552625 /nfs/dbraw/zinc/55/26/25/459552625.db2.gz DGLRRZBNTNTICJ-UHFFFAOYSA-N 2 0 334.423 3.390 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527632328 459677556 /nfs/dbraw/zinc/67/75/56/459677556.db2.gz MJQYUZAUWFSKMZ-SFTDATJTSA-N 2 0 329.532 3.330 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527632326 459677988 /nfs/dbraw/zinc/67/79/88/459677988.db2.gz MJQYUZAUWFSKMZ-RTWAWAEBSA-N 2 0 329.532 3.330 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4cc[nH]c4c3)cc2)CC1 ZINC000527640072 459681748 /nfs/dbraw/zinc/68/17/48/459681748.db2.gz BDBVJRTVWIHBBZ-UHFFFAOYSA-N 2 0 348.494 3.205 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000500501354 459681784 /nfs/dbraw/zinc/68/17/84/459681784.db2.gz LUVGZWZIFJYCQB-SQNIBIBYSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000527653958 459686102 /nfs/dbraw/zinc/68/61/02/459686102.db2.gz NUNUFMDCWWTXIS-GIVPXCGWSA-N 2 0 329.532 3.328 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527658351 459688582 /nfs/dbraw/zinc/68/85/82/459688582.db2.gz XHFCKINDCRTVIK-HMXCVIKNSA-N 2 0 329.532 3.328 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)cc2)C1 ZINC000573805821 459739351 /nfs/dbraw/zinc/73/93/51/459739351.db2.gz QDNPDRSKAQYPNZ-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C1 ZINC000573862328 459748369 /nfs/dbraw/zinc/74/83/69/459748369.db2.gz IGTCPEPBVTWKFL-KGLIPLIRSA-N 2 0 336.277 3.332 20 0 EGADRP O[C@H](CNc1nccc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000527841380 459756324 /nfs/dbraw/zinc/75/63/24/459756324.db2.gz HMYRMUVRVPABCQ-LJQANCHMSA-N 2 0 333.435 3.066 20 0 EGADRP CN(CCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cc[nH+]cc1 ZINC000584513724 459758963 /nfs/dbraw/zinc/75/89/63/459758963.db2.gz RWAQBCOBNOPSJI-LJQANCHMSA-N 2 0 338.455 3.096 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000573958376 459762593 /nfs/dbraw/zinc/76/25/93/459762593.db2.gz GSHYJAMXEBZWFZ-GJZGRUSLSA-N 2 0 337.533 3.025 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000545160231 459804515 /nfs/dbraw/zinc/80/45/15/459804515.db2.gz PRVCJDZDIPTGIY-UGSOOPFHSA-N 2 0 334.460 3.271 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000566174837 459818641 /nfs/dbraw/zinc/81/86/41/459818641.db2.gz BDFDCVCTUDTKKJ-XWSJACJDSA-N 2 0 335.536 3.007 20 0 EGADRP Fc1ccc(Br)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000566229432 459826645 /nfs/dbraw/zinc/82/66/45/459826645.db2.gz BZXBJAVOLKXRAD-CYBMUJFWSA-N 2 0 341.268 3.410 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000574688187 459853721 /nfs/dbraw/zinc/85/37/21/459853721.db2.gz HJIKOWDODHZCAB-MSOLQXFVSA-N 2 0 345.874 3.149 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621651796 459996003 /nfs/dbraw/zinc/99/60/03/459996003.db2.gz QBVOTEONZYOJDS-XEVCZEQESA-N 2 0 349.563 3.125 20 0 EGADRP c1cnc(Oc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000575850676 460016570 /nfs/dbraw/zinc/01/65/70/460016570.db2.gz NSMWUNCMNXDDCX-IEBWSBKVSA-N 2 0 338.455 3.233 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc21 ZINC000621763278 460056291 /nfs/dbraw/zinc/05/62/91/460056291.db2.gz VEJWDYCBIBIYQD-IBGZPJMESA-N 2 0 329.488 3.340 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000576250582 460103459 /nfs/dbraw/zinc/10/34/59/460103459.db2.gz DSYSQLWGLGEJNZ-XUVXKRRUSA-N 2 0 341.499 3.436 20 0 EGADRP COC(=O)CC1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000599046966 460139695 /nfs/dbraw/zinc/13/96/95/460139695.db2.gz UXAUZJOEWNGETL-SKINQDTJSA-N 2 0 344.499 3.220 20 0 EGADRP C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611276386 460327202 /nfs/dbraw/zinc/32/72/02/460327202.db2.gz NDVKAFHRJMYFPF-SACXWWFQSA-N 2 0 327.516 3.190 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000626062453 460358235 /nfs/dbraw/zinc/35/82/35/460358235.db2.gz SOGHXRIOMXIUBK-SFHVURJKSA-N 2 0 345.531 3.361 20 0 EGADRP CCOC(=O)C1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000611442230 460366839 /nfs/dbraw/zinc/36/68/39/460366839.db2.gz AJJRMAHHNKKJRN-UHFFFAOYSA-N 2 0 336.520 3.495 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631565039 460446272 /nfs/dbraw/zinc/44/62/72/460446272.db2.gz AWGFHGROCTXQCY-GOSISDBHSA-N 2 0 342.531 3.106 20 0 EGADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000631582299 460455821 /nfs/dbraw/zinc/45/58/21/460455821.db2.gz ZWJSJUOOZAWDIS-HKUYNNGSSA-N 2 0 343.515 3.316 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCOC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000634677864 460471691 /nfs/dbraw/zinc/47/16/91/460471691.db2.gz AUWDVAMCUMFOOA-FUHIMQAGSA-N 2 0 346.515 3.343 20 0 EGADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000631626451 460477985 /nfs/dbraw/zinc/47/79/85/460477985.db2.gz XNFYOAPAIOAEJQ-KRWDZBQOSA-N 2 0 342.531 3.105 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631664496 460498183 /nfs/dbraw/zinc/49/81/83/460498183.db2.gz NZDGXNAXYWQTNC-GGPKGHCWSA-N 2 0 326.488 3.019 20 0 EGADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000623424730 460540878 /nfs/dbraw/zinc/54/08/78/460540878.db2.gz BOUQKBBDZMIXBJ-HUUCEWRRSA-N 2 0 340.895 3.328 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000631748531 460544364 /nfs/dbraw/zinc/54/43/64/460544364.db2.gz HITXCNBKLDDONK-FQEVSTJZSA-N 2 0 329.532 3.422 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cc2c1 ZINC000629536903 460799442 /nfs/dbraw/zinc/79/94/42/460799442.db2.gz HSJUMYZEGHJRLG-FPOVZHCZSA-N 2 0 339.483 3.262 20 0 EGADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629544525 460802852 /nfs/dbraw/zinc/80/28/52/460802852.db2.gz IYDGCYLCMLFKHR-XOUADPBQSA-N 2 0 337.870 3.036 20 0 EGADRP C[NH2+]CCC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000629547785 460804605 /nfs/dbraw/zinc/80/46/05/460804605.db2.gz FZJSNRBZGGGXQR-AWEZNQCLSA-N 2 0 329.307 3.225 20 0 EGADRP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000629573796 460813307 /nfs/dbraw/zinc/81/33/07/460813307.db2.gz AYGWXCMMTWWAFU-INIZCTEOSA-N 2 0 344.421 3.029 20 0 EGADRP C[NH+](C)CC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000635553542 460829588 /nfs/dbraw/zinc/82/95/88/460829588.db2.gz AGZSRDVVQPKJDI-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000621109269 460895562 /nfs/dbraw/zinc/89/55/62/460895562.db2.gz SEVBVKQZPUJDIL-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CN(C)CC[NH2+]Cc1ccc(-c2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000629739145 460898262 /nfs/dbraw/zinc/89/82/62/460898262.db2.gz XUXRPAQOOZNBFL-UHFFFAOYSA-N 2 0 329.463 3.206 20 0 EGADRP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CCC1 ZINC000629960494 460977318 /nfs/dbraw/zinc/97/73/18/460977318.db2.gz MAAMRJWKKFSMDH-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP c1cc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2[nH]1 ZINC000628159339 461023983 /nfs/dbraw/zinc/02/39/83/461023983.db2.gz NVMYVQFZVLBMBX-UHFFFAOYSA-N 2 0 327.472 3.102 20 0 EGADRP c1ccc2nc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cnc2c1 ZINC000628232085 461055071 /nfs/dbraw/zinc/05/50/71/461055071.db2.gz MGJFXSJBJREHLN-UHFFFAOYSA-N 2 0 333.439 3.031 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]CCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000628253241 461062722 /nfs/dbraw/zinc/06/27/22/461062722.db2.gz YSQPECAEFJFERJ-HNNXBMFYSA-N 2 0 344.421 3.338 20 0 EGADRP c1[nH]nc2cccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c12 ZINC000628255149 461063696 /nfs/dbraw/zinc/06/36/96/461063696.db2.gz DFBHQEKGFNLIQW-KDURUIRLSA-N 2 0 332.451 3.127 20 0 EGADRP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000633375293 461063789 /nfs/dbraw/zinc/06/37/89/461063789.db2.gz JWJYLOWNACTPQF-GOSISDBHSA-N 2 0 345.487 3.102 20 0 EGADRP Cc1ccc([C@H](C)C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628278841 461069758 /nfs/dbraw/zinc/06/97/58/461069758.db2.gz JRMDRSXIPZGVDY-WIYYLYMNSA-N 2 0 329.532 3.199 20 0 EGADRP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652336783 461138090 /nfs/dbraw/zinc/13/80/90/461138090.db2.gz AHYYCJHPXZOAKF-IBGZPJMESA-N 2 0 349.478 3.183 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2ccncc2s1 ZINC000668160235 461144965 /nfs/dbraw/zinc/14/49/65/461144965.db2.gz WRPBBRHWBUBZAZ-KRWDZBQOSA-N 2 0 346.544 3.144 20 0 EGADRP C[C@@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CCc2ccc(Cl)cc21 ZINC000652353532 461147154 /nfs/dbraw/zinc/14/71/54/461147154.db2.gz OZRKQVPOTYYUTO-LLVKDONJSA-N 2 0 334.851 3.079 20 0 EGADRP C[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CC[NH3+] ZINC000652354738 461149039 /nfs/dbraw/zinc/14/90/39/461149039.db2.gz GWSJHSTXZFMCFI-CJNGLKHVSA-N 2 0 348.878 3.382 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2OC(F)F)C1 ZINC000652361972 461154350 /nfs/dbraw/zinc/15/43/50/461154350.db2.gz UZRXYDXXDGYEQL-BFYDXBDKSA-N 2 0 340.414 3.149 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362527 461154390 /nfs/dbraw/zinc/15/43/90/461154390.db2.gz JCRDYJIFJXUMOT-KFWWJZLASA-N 2 0 347.484 3.264 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)C1 ZINC000652362643 461154434 /nfs/dbraw/zinc/15/44/34/461154434.db2.gz MFCLHIOAWLKBKP-FGTMMUONSA-N 2 0 341.455 3.202 20 0 EGADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c2ccccc2n1 ZINC000652363064 461158279 /nfs/dbraw/zinc/15/82/79/461158279.db2.gz XDKBLYFLGGZLEX-UIFIKXQLSA-N 2 0 339.483 3.404 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000655273703 461159810 /nfs/dbraw/zinc/15/98/10/461159810.db2.gz LOCPEYRGJVWHTE-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP c1ccc(CC[C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662277535 461164017 /nfs/dbraw/zinc/16/40/17/461164017.db2.gz RCZLLSXBOXQDNO-OAQYLSRUSA-N 2 0 336.479 3.166 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295339 461173685 /nfs/dbraw/zinc/17/36/85/461173685.db2.gz QGPUGZSSPQDLQF-IBGZPJMESA-N 2 0 344.499 3.500 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297755 461176261 /nfs/dbraw/zinc/17/62/61/461176261.db2.gz RNXIJHRSVOONSP-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312826 461184999 /nfs/dbraw/zinc/18/49/99/461184999.db2.gz FVFMELLTHPEXAP-GPMSIDNRSA-N 2 0 349.494 3.185 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000662317675 461190858 /nfs/dbraw/zinc/19/08/58/461190858.db2.gz ZFDMMOOMSGIJGF-QWFCFKBJSA-N 2 0 332.488 3.019 20 0 EGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc2c1C[NH2+]C2 ZINC000662357136 461207322 /nfs/dbraw/zinc/20/73/22/461207322.db2.gz ZUPGFCXHTXYRIA-UHFFFAOYSA-N 2 0 349.478 3.206 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638087848 461231709 /nfs/dbraw/zinc/23/17/09/461231709.db2.gz AEFJAEHTGYXIEY-KRWDZBQOSA-N 2 0 349.544 3.246 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662411096 461236205 /nfs/dbraw/zinc/23/62/05/461236205.db2.gz SECXZPJFAPVUPG-UXHICEINSA-N 2 0 337.467 3.161 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000659247453 461247492 /nfs/dbraw/zinc/24/74/92/461247492.db2.gz XQWVNYBGNROGBQ-BSIFCXSSSA-N 2 0 349.478 3.173 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)c2cccs2)CC1 ZINC000662664004 461339689 /nfs/dbraw/zinc/33/96/89/461339689.db2.gz SAZBSHYRAXXJQP-DOTOQJQBSA-N 2 0 349.544 3.025 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675405 461344167 /nfs/dbraw/zinc/34/41/67/461344167.db2.gz MWYYZIVWMZERCM-CRAIPNDOSA-N 2 0 329.488 3.388 20 0 EGADRP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000649782714 461350225 /nfs/dbraw/zinc/35/02/25/461350225.db2.gz QIYMIAMFBYFUBY-NXHRZFHOSA-N 2 0 346.519 3.322 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000638294229 461353305 /nfs/dbraw/zinc/35/33/05/461353305.db2.gz PTVIFVMTUGYAQV-UHFFFAOYSA-N 2 0 330.394 3.030 20 0 EGADRP CC(C)O[C@@H](C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000638351850 461381040 /nfs/dbraw/zinc/38/10/40/461381040.db2.gz IHZAMOLMLCLEBL-RTWAWAEBSA-N 2 0 347.547 3.014 20 0 EGADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000641802651 461381362 /nfs/dbraw/zinc/38/13/62/461381362.db2.gz AIGOIHUYPREHAS-RTBURBONSA-N 2 0 337.467 3.398 20 0 EGADRP CN(c1ccccc1C[N@H+](C)CC1=CCSC1)C1CC[NH+](C)CC1 ZINC000668775258 461429225 /nfs/dbraw/zinc/42/92/25/461429225.db2.gz SIEGNPYCYWNRIT-UHFFFAOYSA-N 2 0 345.556 3.322 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858630 461459200 /nfs/dbraw/zinc/45/92/00/461459200.db2.gz XMCHNUSNUMGSRI-CJNGLKHVSA-N 2 0 332.410 3.399 20 0 EGADRP CC(C)CNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000659927710 461502035 /nfs/dbraw/zinc/50/20/35/461502035.db2.gz HVINRUDSDAOIRG-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000653113895 461507161 /nfs/dbraw/zinc/50/71/61/461507161.db2.gz RDIIFPPXCKRSRW-FQEVSTJZSA-N 2 0 343.515 3.069 20 0 EGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653113879 461507208 /nfs/dbraw/zinc/50/72/08/461507208.db2.gz QQFVBROJBRUNOO-HXUWFJFHSA-N 2 0 343.515 3.069 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)c2cc1OC ZINC000663243194 461524390 /nfs/dbraw/zinc/52/43/90/461524390.db2.gz YCYUTBPRZYTSFH-MJBXVCDLSA-N 2 0 329.444 3.062 20 0 EGADRP CC[N@H+](CCCNC(=O)c1ccccc1CC[NH2+]C)C1CCCCC1 ZINC000653200874 461555594 /nfs/dbraw/zinc/55/55/94/461555594.db2.gz SIUZNCJLPJRRAC-UHFFFAOYSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000663347073 461576739 /nfs/dbraw/zinc/57/67/39/461576739.db2.gz ZCINKIYLZBWBTN-BVYCBKJFSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663346251 461578330 /nfs/dbraw/zinc/57/83/30/461578330.db2.gz RPSALUFRWBZMQT-COPCDDAFSA-N 2 0 341.543 3.219 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347693 461580158 /nfs/dbraw/zinc/58/01/58/461580158.db2.gz SLULFNXTNIOHDC-MRXNPFEDSA-N 2 0 342.462 3.427 20 0 EGADRP Cc1nnsc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000638796562 461582967 /nfs/dbraw/zinc/58/29/67/461582967.db2.gz KXDKKDCOYDKJRR-RHSMWYFYSA-N 2 0 330.501 3.237 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253206 461591138 /nfs/dbraw/zinc/59/11/38/461591138.db2.gz LGTNOFWOOVFRJF-KRWDZBQOSA-N 2 0 335.517 3.186 20 0 EGADRP O=C(CC1CC[NH2+]CC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253073 461591728 /nfs/dbraw/zinc/59/17/28/461591728.db2.gz FYCBFZMUWLIEMW-UHFFFAOYSA-N 2 0 347.528 3.203 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253601 461593397 /nfs/dbraw/zinc/59/33/97/461593397.db2.gz YRPNFXYAEWIVBG-ROUUACIJSA-N 2 0 347.528 3.201 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)CC1 ZINC000663390628 461611168 /nfs/dbraw/zinc/61/11/68/461611168.db2.gz RAFKWUDBVOMWGI-UHFFFAOYSA-N 2 0 349.482 3.313 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000638864607 461625725 /nfs/dbraw/zinc/62/57/25/461625725.db2.gz ANMMTPVTSDHBGB-UHFFFAOYSA-N 2 0 346.515 3.333 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467557 461658254 /nfs/dbraw/zinc/65/82/54/461658254.db2.gz GRVKEEICENCYCH-VQIMIIECSA-N 2 0 344.499 3.448 20 0 EGADRP CCn1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000663471741 461662710 /nfs/dbraw/zinc/66/27/10/461662710.db2.gz WKFLCPLIDYCILW-CEWLAPEOSA-N 2 0 338.499 3.293 20 0 EGADRP C[NH2+]C[C@H](C)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC000663511230 461681108 /nfs/dbraw/zinc/68/11/08/461681108.db2.gz WKABSUPYFKOHQV-QMMMGPOBSA-N 2 0 325.172 3.165 20 0 EGADRP Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1C[NH+](C)C ZINC000656263298 461689499 /nfs/dbraw/zinc/68/94/99/461689499.db2.gz HLPGZIUYBWJGSJ-FQEVSTJZSA-N 2 0 331.504 3.112 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000643344543 461698348 /nfs/dbraw/zinc/69/83/48/461698348.db2.gz NQGCZIHZJZPJCK-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C[C@@H]1CCc3nccn3C1)CC2 ZINC000639076645 461710795 /nfs/dbraw/zinc/71/07/95/461710795.db2.gz GWVBPRZLCPJDLT-YOEHRIQHSA-N 2 0 341.455 3.082 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000643457224 461733237 /nfs/dbraw/zinc/73/32/37/461733237.db2.gz HAQHCJQJWNMNIN-UZLBHIALSA-N 2 0 335.455 3.137 20 0 EGADRP Clc1ccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000643457719 461733585 /nfs/dbraw/zinc/73/35/85/461733585.db2.gz ZKAMKQYPGFPMAJ-RCCFBDPRSA-N 2 0 347.890 3.111 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647496813 461735248 /nfs/dbraw/zinc/73/52/48/461735248.db2.gz UXZQBOPKLSAUGY-ZBFHGGJFSA-N 2 0 338.455 3.393 20 0 EGADRP CC[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1[NH3+] ZINC000647498315 461736764 /nfs/dbraw/zinc/73/67/64/461736764.db2.gz FDOWXRFETBYTEJ-FXAWDEMLSA-N 2 0 325.456 3.220 20 0 EGADRP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000647511766 461741330 /nfs/dbraw/zinc/74/13/30/461741330.db2.gz AYIUHBISYGHLNR-DKIMLUQUSA-N 2 0 332.488 3.432 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480206 461741581 /nfs/dbraw/zinc/74/15/81/461741581.db2.gz FTOPEMDQMNLFQY-KTIPNOMGSA-N 2 0 327.516 3.017 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1(O)CCCC1 ZINC000643493476 461744885 /nfs/dbraw/zinc/74/48/85/461744885.db2.gz HRGPYIJHNMWZHR-YLJYHZDGSA-N 2 0 344.499 3.163 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000643503673 461749519 /nfs/dbraw/zinc/74/95/19/461749519.db2.gz XOTTYQKBASRXGI-AFMYVXGZSA-N 2 0 325.456 3.234 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643522524 461753157 /nfs/dbraw/zinc/75/31/57/461753157.db2.gz OKSUJQOZUSCFMQ-ICSRJNTNSA-N 2 0 325.456 3.106 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000643534339 461754108 /nfs/dbraw/zinc/75/41/08/461754108.db2.gz RVEPNUABNZJCKR-XHDPSFHLSA-N 2 0 339.277 3.250 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543366 461756015 /nfs/dbraw/zinc/75/60/15/461756015.db2.gz LWIOYUUOJZUVKD-NHCUHLMSSA-N 2 0 338.499 3.143 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000639140084 461756429 /nfs/dbraw/zinc/75/64/29/461756429.db2.gz WHFCPALOQDCAAV-UHFFFAOYSA-N 2 0 347.478 3.065 20 0 EGADRP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542966 461757443 /nfs/dbraw/zinc/75/74/43/461757443.db2.gz FKWOCUBEIOVNNG-IAGOWNOFSA-N 2 0 342.462 3.223 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000643545937 461758827 /nfs/dbraw/zinc/75/88/27/461758827.db2.gz FWVBPDGOGIKUOA-KDOFPFPSSA-N 2 0 342.487 3.296 20 0 EGADRP c1ccc2c(c1)CCCN2CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656493460 461765712 /nfs/dbraw/zinc/76/57/12/461765712.db2.gz AAMHPKOBDQTMOJ-UHFFFAOYSA-N 2 0 336.483 3.093 20 0 EGADRP Cn1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c(-c2cc3ccccc3o2)n1 ZINC000666839678 461826197 /nfs/dbraw/zinc/82/61/97/461826197.db2.gz WGMQUKLSHOGBAQ-UHFFFAOYSA-N 2 0 338.455 3.313 20 0 EGADRP c1ccc([C@H](CN2CCCCC2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647784558 461833010 /nfs/dbraw/zinc/83/30/10/461833010.db2.gz YFSWOZADXGCCHO-NCYKPQTJSA-N 2 0 327.516 3.191 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000647788943 461835539 /nfs/dbraw/zinc/83/55/39/461835539.db2.gz VRVNRHALMZMYAS-CNDLSXRNSA-N 2 0 327.472 3.074 20 0 EGADRP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789177 461835878 /nfs/dbraw/zinc/83/58/78/461835878.db2.gz ZWAIWCCQHSHQGA-KZNAEPCWSA-N 2 0 341.524 3.406 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788303 461835960 /nfs/dbraw/zinc/83/59/60/461835960.db2.gz HIGVJYQAFIJXOZ-XUVXKRRUSA-N 2 0 338.499 3.026 20 0 EGADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC000647789857 461837084 /nfs/dbraw/zinc/83/70/84/461837084.db2.gz MTTCAWRAAKYWKJ-GUDVDZBRSA-N 2 0 337.467 3.138 20 0 EGADRP FC(F)(F)c1ccccc1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647791756 461837325 /nfs/dbraw/zinc/83/73/25/461837325.db2.gz MKKGYKGOGIRQFF-MELADBBJSA-N 2 0 328.378 3.062 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)o1 ZINC000650580144 461837575 /nfs/dbraw/zinc/83/75/75/461837575.db2.gz CQGNQTDLCFYKGO-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000647803170 461845183 /nfs/dbraw/zinc/84/51/83/461845183.db2.gz JRVUYLIVHNZPOX-HUUCEWRRSA-N 2 0 328.456 3.444 20 0 EGADRP C[N@H+](CCC[NH3+])CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000647848188 461857313 /nfs/dbraw/zinc/85/73/13/461857313.db2.gz JTJTZMRYKYFOFZ-UHFFFAOYSA-N 2 0 327.428 3.088 20 0 EGADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639329137 461863335 /nfs/dbraw/zinc/86/33/35/461863335.db2.gz GTJNCNUIFNMPNF-ZJOUEHCJSA-N 2 0 327.516 3.428 20 0 EGADRP c1cc2c(cc1[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1)OCCO2 ZINC000647872604 461865294 /nfs/dbraw/zinc/86/52/94/461865294.db2.gz GCYVJDFNTPZOIE-SFHVURJKSA-N 2 0 330.472 3.375 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000666921643 461869330 /nfs/dbraw/zinc/86/93/30/461869330.db2.gz OBMPGWBAMBSOKZ-KXBFYZLASA-N 2 0 325.456 3.364 20 0 EGADRP O=C(Nc1ccc(F)cc1)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647883847 461869571 /nfs/dbraw/zinc/86/95/71/461869571.db2.gz CFGBXRMGMQBSHW-UHFFFAOYSA-N 2 0 347.478 3.256 20 0 EGADRP C[N@H+](CCCC1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000647883965 461869612 /nfs/dbraw/zinc/86/96/12/461869612.db2.gz OKQMXFMEUAZYRG-UHFFFAOYSA-N 2 0 343.515 3.003 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621368 461883903 /nfs/dbraw/zinc/88/39/03/461883903.db2.gz MJBXPSXNHYDBLV-RDJZCZTQSA-N 2 0 342.936 3.208 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950812 461885150 /nfs/dbraw/zinc/88/51/50/461885150.db2.gz JKFCVQSXVIBZPM-FQEVSTJZSA-N 2 0 338.499 3.088 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784710 461894230 /nfs/dbraw/zinc/89/42/30/461894230.db2.gz GDMCYWYNMJDYRE-KRWDZBQOSA-N 2 0 325.456 3.152 20 0 EGADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000656785953 461895815 /nfs/dbraw/zinc/89/58/15/461895815.db2.gz OAEVBWVUYFSCAK-QGZVFWFLSA-N 2 0 330.472 3.060 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(-c2cccs2)n1 ZINC000656785328 461896219 /nfs/dbraw/zinc/89/62/19/461896219.db2.gz GTUQNZDASFBJIX-MRXNPFEDSA-N 2 0 344.528 3.360 20 0 EGADRP c1cn2c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c(C3CC3)nc2s1 ZINC000656787421 461898242 /nfs/dbraw/zinc/89/82/42/461898242.db2.gz YJNJBLBTRGMHNV-MRXNPFEDSA-N 2 0 344.528 3.485 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705986 461898929 /nfs/dbraw/zinc/89/89/29/461898929.db2.gz BLTKNFIEKFQFNI-NSHGMRRFSA-N 2 0 332.488 3.194 20 0 EGADRP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706326 461899159 /nfs/dbraw/zinc/89/91/59/461899159.db2.gz IUCMASZUXZZYJQ-SQWLQELKSA-N 2 0 337.533 3.159 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000650708840 461903089 /nfs/dbraw/zinc/90/30/89/461903089.db2.gz QDHCPBGWOZZACF-HOCLYGCPSA-N 2 0 328.378 3.189 20 0 EGADRP C[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)c2ccccc2C[NH2+]1 ZINC000667000355 461906748 /nfs/dbraw/zinc/90/67/48/461906748.db2.gz JRNUIOUELDWVCO-KRWDZBQOSA-N 2 0 339.483 3.125 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1O ZINC000650716523 461907932 /nfs/dbraw/zinc/90/79/32/461907932.db2.gz BDKGIMAMBHFHCD-CYBMUJFWSA-N 2 0 332.419 3.110 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(C[NH3+])cc2F)CC1 ZINC000650717905 461909563 /nfs/dbraw/zinc/90/95/63/461909563.db2.gz QJNKVRFPNOHMFE-MGPUTAFESA-N 2 0 333.495 3.417 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000650723901 461916647 /nfs/dbraw/zinc/91/66/47/461916647.db2.gz VRCNEKOUQPZEDR-NZSAHSFTSA-N 2 0 341.455 3.202 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000650723944 461916875 /nfs/dbraw/zinc/91/68/75/461916875.db2.gz WDDFGUIFBYPSHS-AQNXPRMDSA-N 2 0 325.456 3.096 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976179 461919559 /nfs/dbraw/zinc/91/95/59/461919559.db2.gz LGJDQACPZHTQQK-OAGGEKHMSA-N 2 0 349.906 3.379 20 0 EGADRP Cc1ccc(C)c(OCCCN2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660692891 461927181 /nfs/dbraw/zinc/92/71/81/461927181.db2.gz SPPFNCKINFQTNG-UHFFFAOYSA-N 2 0 348.531 3.145 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)c1OC ZINC000650755807 461937197 /nfs/dbraw/zinc/93/71/97/461937197.db2.gz NKOGZLNZMWTWCA-CYBMUJFWSA-N 2 0 346.446 3.331 20 0 EGADRP COc1cc2ccccc2cc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071983 461968125 /nfs/dbraw/zinc/96/81/25/461968125.db2.gz FNOKHOXWQRLVRH-UHFFFAOYSA-N 2 0 340.467 3.145 20 0 EGADRP O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000644550456 461980710 /nfs/dbraw/zinc/98/07/10/461980710.db2.gz QUGKNPRAWRJTHV-ZBFHGGJFSA-N 2 0 334.426 3.219 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000644550724 461982766 /nfs/dbraw/zinc/98/27/66/461982766.db2.gz SRXVJDIZHZOUGZ-SIXLDLHFSA-N 2 0 348.453 3.465 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000657292627 462021304 /nfs/dbraw/zinc/02/13/04/462021304.db2.gz OKBYYGAMWIRDPR-OAHLLOKOSA-N 2 0 334.504 3.499 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)CC1 ZINC000657299369 462028595 /nfs/dbraw/zinc/02/85/95/462028595.db2.gz VRQDXNUQNKDLDD-UHFFFAOYSA-N 2 0 338.499 3.351 20 0 EGADRP c1nc(CN2CCCN(c3cc[nH+]cc3)CC2)oc1-c1ccccc1 ZINC000639682571 462055315 /nfs/dbraw/zinc/05/53/15/462055315.db2.gz YQLQGTCGFAARTA-UHFFFAOYSA-N 2 0 334.423 3.449 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657391672 462091895 /nfs/dbraw/zinc/09/18/95/462091895.db2.gz WKUFCIBGQQGRHS-UHFFFAOYSA-N 2 0 346.441 3.287 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000648413183 462107208 /nfs/dbraw/zinc/10/72/08/462107208.db2.gz DXGFPICZVAABLO-HRQSHJORSA-N 2 0 346.515 3.343 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc3n2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414569 462107381 /nfs/dbraw/zinc/10/73/81/462107381.db2.gz BSUWQIZXWVSUQN-MJGOQNOKSA-N 2 0 338.499 3.220 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000648428779 462115950 /nfs/dbraw/zinc/11/59/50/462115950.db2.gz YMCKTZAMDFEWBK-TZIWHRDSSA-N 2 0 345.531 3.136 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000657433514 462120006 /nfs/dbraw/zinc/12/00/06/462120006.db2.gz SOOPTSPGIZWCKM-ZWKOTPCHSA-N 2 0 334.504 3.454 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450601 462124547 /nfs/dbraw/zinc/12/45/47/462124547.db2.gz VNBYGSWIZCXQLO-WMZOPIPTSA-N 2 0 341.499 3.122 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613884 462203993 /nfs/dbraw/zinc/20/39/93/462203993.db2.gz VTUXPONLIQXJJS-UHFFFAOYSA-N 2 0 341.503 3.169 20 0 EGADRP Fc1ccc(F)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612405 462204127 /nfs/dbraw/zinc/20/41/27/462204127.db2.gz NLDGWSQHYVCMOA-UHFFFAOYSA-N 2 0 331.410 3.362 20 0 EGADRP c1ccc2c(c1)C=C(C[NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CO2 ZINC000657613035 462204334 /nfs/dbraw/zinc/20/43/34/462204334.db2.gz UXAIBQVMXFYJJK-UHFFFAOYSA-N 2 0 349.478 3.359 20 0 EGADRP C[NH+](C)C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccc(Cl)cc1 ZINC000667733701 462238768 /nfs/dbraw/zinc/23/87/68/462238768.db2.gz MYNLEHPLJDLMNQ-KRWDZBQOSA-N 2 0 346.862 3.223 20 0 EGADRP CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000648742306 462257111 /nfs/dbraw/zinc/25/71/11/462257111.db2.gz BXPWADSJCMGTBX-YLJYHZDGSA-N 2 0 332.488 3.018 20 0 EGADRP OC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000657772788 462259046 /nfs/dbraw/zinc/25/90/46/462259046.db2.gz IIOYQFTYFXLUEG-HUBLWGQQSA-N 2 0 329.271 3.243 20 0 EGADRP CCOc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1OC ZINC000657811467 462277747 /nfs/dbraw/zinc/27/77/47/462277747.db2.gz CODVVCFNMSQBCF-UHFFFAOYSA-N 2 0 332.488 3.306 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc2ccncc2s1)N1CC[NH+](C)CC1 ZINC000657832019 462288711 /nfs/dbraw/zinc/28/87/11/462288711.db2.gz ICOLYSDZCBIGTE-NVXWUHKLSA-N 2 0 346.544 3.219 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657835799 462289690 /nfs/dbraw/zinc/28/96/90/462289690.db2.gz OPBGNKJNDGMUFH-LJQANCHMSA-N 2 0 343.559 3.114 20 0 EGADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657891461 462309901 /nfs/dbraw/zinc/30/99/01/462309901.db2.gz ZILPVAYAIYWFJM-MRXNPFEDSA-N 2 0 344.421 3.073 20 0 EGADRP CC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068725 462366436 /nfs/dbraw/zinc/36/64/36/462366436.db2.gz IALHDPYIALIYGL-HXUWFJFHSA-N 2 0 330.516 3.488 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](CC)CCC)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000649000950 462367284 /nfs/dbraw/zinc/36/72/84/462367284.db2.gz GIXSPXBGNFWRBR-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP COCc1csc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665263675 462375217 /nfs/dbraw/zinc/37/52/17/462375217.db2.gz RQDNSKKBGKHIFC-MJGOQNOKSA-N 2 0 344.480 3.240 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)n1 ZINC000665291470 462388833 /nfs/dbraw/zinc/38/88/33/462388833.db2.gz CHGUJLFALDCATN-IBGZPJMESA-N 2 0 326.444 3.052 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000665293759 462389032 /nfs/dbraw/zinc/38/90/32/462389032.db2.gz CBGIGPJQJVLOED-ZFWWWQNUSA-N 2 0 346.862 3.110 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000649330132 462479324 /nfs/dbraw/zinc/47/93/24/462479324.db2.gz ZGQLLRDRTMYHRX-FUHWJXTLSA-N 2 0 331.504 3.015 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000645964235 462480231 /nfs/dbraw/zinc/48/02/31/462480231.db2.gz WFUYGNHLLLGCIM-DOTOQJQBSA-N 2 0 331.504 3.010 20 0 EGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658357337 462488347 /nfs/dbraw/zinc/48/83/47/462488347.db2.gz SXBDSJNDTOVHRJ-OAHLLOKOSA-N 2 0 329.488 3.418 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000183951263 533830677 /nfs/dbraw/zinc/83/06/77/533830677.db2.gz NMVQGQIJKJLEFT-INIZCTEOSA-N 2 0 345.487 3.416 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000178412583 533847687 /nfs/dbraw/zinc/84/76/87/533847687.db2.gz ALLOMZFNQAXGMC-KRWDZBQOSA-N 2 0 342.487 3.136 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)Cc3ccccc3)CC2)C1 ZINC000130415213 533859068 /nfs/dbraw/zinc/85/90/68/533859068.db2.gz WFTXAZNICODSCC-QMMLZNLJSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000130852660 533932701 /nfs/dbraw/zinc/93/27/01/533932701.db2.gz NGIXAYISOKTEDK-HNNXBMFYSA-N 2 0 342.439 3.207 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(OCC[NH+]3CCCC3)CC1)CC2 ZINC000177843739 534502433 /nfs/dbraw/zinc/50/24/33/534502433.db2.gz KNBOXRHVYVPZCC-HXUWFJFHSA-N 2 0 332.463 3.390 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000177968975 527800113 /nfs/dbraw/zinc/80/01/13/527800113.db2.gz YHYVEJUPXMVAEM-WIYYLYMNSA-N 2 0 329.532 3.013 20 0 EGADRP CC(C)[C@@H](C[NH2+]C[C@@H](C)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000187651997 528462699 /nfs/dbraw/zinc/46/26/99/528462699.db2.gz AZUDOUMXEJGVOK-VQIMIIECSA-N 2 0 337.939 3.305 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)N1CC[NH+](C)CC1 ZINC000132465952 528464016 /nfs/dbraw/zinc/46/40/16/528464016.db2.gz PPKYOAYLDVLMLN-SUMWQHHRSA-N 2 0 343.437 3.027 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000177877492 528551446 /nfs/dbraw/zinc/55/14/46/528551446.db2.gz APGULFRXZKTHLX-FCEWJHQRSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000186748961 529001789 /nfs/dbraw/zinc/00/17/89/529001789.db2.gz VQNDGFWLMKFSQU-UHFFFAOYSA-N 2 0 345.409 3.028 20 0 EGADRP CC(C)[C@H](C[NH2+]C[C@H](C)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000187652032 529012705 /nfs/dbraw/zinc/01/27/05/529012705.db2.gz AZUDOUMXEJGVOK-LPHOPBHVSA-N 2 0 337.939 3.305 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+](C)C(C)C)cc1)C1CC1 ZINC000338023332 535782771 /nfs/dbraw/zinc/78/27/71/535782771.db2.gz PTFGUUXSFBPAOR-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCOC1 ZINC000358028531 535921301 /nfs/dbraw/zinc/92/13/01/535921301.db2.gz XZWUCMRXFZJXOC-JWWGGVBKSA-N 2 0 346.515 3.201 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1F ZINC000342795246 536011704 /nfs/dbraw/zinc/01/17/04/536011704.db2.gz FFTILFKTWIPAIC-UHFFFAOYSA-N 2 0 330.451 3.265 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000351615997 536353326 /nfs/dbraw/zinc/35/33/26/536353326.db2.gz PILNHUZMTTYOKD-ZWKOTPCHSA-N 2 0 345.535 3.058 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000089551219 546645274 /nfs/dbraw/zinc/64/52/74/546645274.db2.gz MWWOVCCNYBIKAQ-QZTJIDSGSA-N 2 0 340.471 3.058 20 0 EGADRP CCC[NH+]1CCC(Nc2ccc(N3CC[NH+](CC)CC3)cc2C)CC1 ZINC000129054492 546784309 /nfs/dbraw/zinc/78/43/09/546784309.db2.gz POJKWNSVJMLGNB-UHFFFAOYSA-N 2 0 344.547 3.423 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000135220412 546831874 /nfs/dbraw/zinc/83/18/74/546831874.db2.gz HYQGFBOYMWYTQD-BBWFWOEESA-N 2 0 347.503 3.217 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000163989975 546977665 /nfs/dbraw/zinc/97/76/65/546977665.db2.gz RYXDPYXOLHCVLI-INIZCTEOSA-N 2 0 340.515 3.368 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1F ZINC000166337875 546988641 /nfs/dbraw/zinc/98/86/41/546988641.db2.gz OLCPYZFOCMDGFD-BZUAXINKSA-N 2 0 335.442 3.008 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2c[nH]nc2C)cc1 ZINC000180143027 547052962 /nfs/dbraw/zinc/05/29/62/547052962.db2.gz DXFXTFJOYASUBM-HNNXBMFYSA-N 2 0 330.476 3.290 20 0 EGADRP Fc1ccc(C(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000262032155 547325177 /nfs/dbraw/zinc/32/51/77/547325177.db2.gz XFQLJCHHSBDLKN-CALCHBBNSA-N 2 0 328.406 3.248 20 0 EGADRP COc1cc2c(cc1OC)[C@H](NC1CC[NH+](CC3CC3)CC1)CC2 ZINC000280282114 547372394 /nfs/dbraw/zinc/37/23/94/547372394.db2.gz YOZGXYAOGXBIGW-GOSISDBHSA-N 2 0 330.472 3.155 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000361369809 547762675 /nfs/dbraw/zinc/76/26/75/547762675.db2.gz MLKLVZAVEQOOSE-QGZVFWFLSA-N 2 0 340.556 3.061 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000671747171 548351658 /nfs/dbraw/zinc/35/16/58/548351658.db2.gz OQMMDHNHMGYDIP-UHFFFAOYSA-N 3 0 345.531 3.124 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@H]1CCCSC1 ZINC000673616228 548582529 /nfs/dbraw/zinc/58/25/29/548582529.db2.gz ADNHDEONUWPTNJ-GOSISDBHSA-N 2 0 334.529 3.394 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1(C)C ZINC000674677559 548781142 /nfs/dbraw/zinc/78/11/42/548781142.db2.gz LRNPLPAZLKETEA-RBUKOAKNSA-N 2 0 332.488 3.064 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675743108 548972242 /nfs/dbraw/zinc/97/22/42/548972242.db2.gz ZPZKADZHMWUZBG-IBGZPJMESA-N 2 0 335.511 3.008 20 0 EGADRP CCn1ccnc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000677129211 549214503 /nfs/dbraw/zinc/21/45/03/549214503.db2.gz OACVNYBXIAGLQE-IEBWSBKVSA-N 2 0 326.488 3.293 20 0 EGADRP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678122391 549402169 /nfs/dbraw/zinc/40/21/69/549402169.db2.gz MZRWFJQRWYNJTM-MJGOQNOKSA-N 2 0 332.488 3.161 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000678599151 549528051 /nfs/dbraw/zinc/52/80/51/549528051.db2.gz VIXXSMVBJFWFSN-PCCBWWKXSA-N 2 0 328.500 3.340 20 0 EGADRP CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678733353 549550120 /nfs/dbraw/zinc/55/01/20/549550120.db2.gz IRPXYNIQOUPBLL-AZUAARDMSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1c2ccccc2CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000678766560 549556420 /nfs/dbraw/zinc/55/64/20/549556420.db2.gz MLOKTJRAYSJXCA-JRGCBEDISA-N 2 0 329.532 3.172 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@H](C)C3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000678999957 549613378 /nfs/dbraw/zinc/61/33/78/549613378.db2.gz HAGQFQMSGLMWOR-GOSISDBHSA-N 2 0 344.547 3.279 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)o1 ZINC000680201223 549831381 /nfs/dbraw/zinc/83/13/81/549831381.db2.gz LVOJNRBFPKQQJI-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4c(Cl)cccc43)C2)CC1 ZINC000680465029 549868580 /nfs/dbraw/zinc/86/85/80/549868580.db2.gz NKESYNYNZCUCIE-MGPUTAFESA-N 2 0 347.934 3.476 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccnn1C ZINC000683692209 550254443 /nfs/dbraw/zinc/25/44/43/550254443.db2.gz MZXMYZYJBAEHRW-OJAHFUOMSA-N 2 0 338.499 3.371 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccnn1C ZINC000683692207 550254594 /nfs/dbraw/zinc/25/45/94/550254594.db2.gz MZXMYZYJBAEHRW-IJXRJRJASA-N 2 0 338.499 3.371 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C1CC[NH+](C)CC1 ZINC000684559945 550343251 /nfs/dbraw/zinc/34/32/51/550343251.db2.gz BUNFCWOPKKMVRQ-NEPJUHHUSA-N 2 0 326.282 3.225 20 0 EGADRP C[N@H+](Cc1ccccc1C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457376 550419229 /nfs/dbraw/zinc/41/92/29/550419229.db2.gz YHDILJDSMAEDEE-FQEVSTJZSA-N 2 0 327.516 3.164 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470394 550421041 /nfs/dbraw/zinc/42/10/41/550421041.db2.gz LJCVQAGQYJHYBI-DNVCBOLYSA-N 2 0 346.906 3.357 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000727930840 574704824 /nfs/dbraw/zinc/70/48/24/574704824.db2.gz AWMNSHCEUNBZHE-MRXNPFEDSA-N 2 0 330.394 3.012 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000727930837 574704843 /nfs/dbraw/zinc/70/48/43/574704843.db2.gz AWMNSHCEUNBZHE-INIZCTEOSA-N 2 0 330.394 3.012 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000728571320 574758828 /nfs/dbraw/zinc/75/88/28/574758828.db2.gz BJYZTPSVVXYOHF-KRWDZBQOSA-N 2 0 326.431 3.050 20 0 EGADRP c1c2ccccc2oc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352881614 574771149 /nfs/dbraw/zinc/77/11/49/574771149.db2.gz DXKKOXHWAAWYNW-UHFFFAOYSA-N 2 0 328.456 3.367 20 0 EGADRP CN(c1ccccc1C[NH2+][C@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000678996174 576172464 /nfs/dbraw/zinc/17/24/64/576172464.db2.gz ZLXHNMZTJSHTPJ-INIZCTEOSA-N 2 0 337.458 3.494 20 0 EGADRP CC(C)(C)OC(=O)NCc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000305890191 1297065561 /nfs/dbraw/zinc/06/55/61/1297065561.db2.gz SGNXBNQVNFHLMM-SJORKVTESA-N 2 0 333.476 3.071 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399093599 1297726171 /nfs/dbraw/zinc/72/61/71/1297726171.db2.gz UUBNZLZHSNNVFU-WBVHZDCISA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H](COc1ccc(F)cc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000060527545 1291927980 /nfs/dbraw/zinc/92/79/80/1291927980.db2.gz KMZFYUHFKUEDBA-INIZCTEOSA-N 2 0 346.446 3.323 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000062252832 1291984487 /nfs/dbraw/zinc/98/44/87/1291984487.db2.gz GSARAGKDDQXRIW-KBPBESRZSA-N 2 0 328.859 3.458 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccncc3)CC2)cc1 ZINC000063319611 1292006519 /nfs/dbraw/zinc/00/65/19/1292006519.db2.gz FPMOPDAQHIMUGW-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000068722450 1292213864 /nfs/dbraw/zinc/21/38/64/1292213864.db2.gz AIRSMMPEDBFZQY-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000069785284 1292252404 /nfs/dbraw/zinc/25/24/04/1292252404.db2.gz FOTVEPAEMSPWBU-UHFFFAOYSA-N 2 0 345.437 3.002 20 0 EGADRP Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000072720190 1292288971 /nfs/dbraw/zinc/28/89/71/1292288971.db2.gz VXRFLUCEYPVLJM-QGZVFWFLSA-N 2 0 347.478 3.271 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000075762964 1292409586 /nfs/dbraw/zinc/40/95/86/1292409586.db2.gz QBFKHMQDQALDJV-QGZVFWFLSA-N 2 0 343.437 3.067 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1csc2ccccc12)N1CC[NH+](C)CC1 ZINC000075762941 1292409720 /nfs/dbraw/zinc/40/97/20/1292409720.db2.gz HYONKDHGVFGGQN-SFHVURJKSA-N 2 0 331.529 3.263 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000075771590 1292410605 /nfs/dbraw/zinc/41/06/05/1292410605.db2.gz OLMQMWFKPSPZFN-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP c1[nH]nc(-c2cccnc2)c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000080347703 1292596117 /nfs/dbraw/zinc/59/61/17/1292596117.db2.gz WPTRSOMAWZXJNM-UHFFFAOYSA-N 2 0 339.487 3.358 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000080373713 1292597139 /nfs/dbraw/zinc/59/71/39/1292597139.db2.gz OTJJMISSLPGOHF-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1)c1ccccc1 ZINC000081400396 1292654854 /nfs/dbraw/zinc/65/48/54/1292654854.db2.gz FASVEKQGUFFOQT-QGZVFWFLSA-N 2 0 331.504 3.108 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000087790517 1292747217 /nfs/dbraw/zinc/74/72/17/1292747217.db2.gz DNXIAAGZQGXWHU-LBPRGKRZSA-N 2 0 327.266 3.019 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000098173190 1292965098 /nfs/dbraw/zinc/96/50/98/1292965098.db2.gz IXMAORLXFVUBFB-QUCCMNQESA-N 2 0 332.488 3.066 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000105495793 1293041478 /nfs/dbraw/zinc/04/14/78/1293041478.db2.gz UBLICNYVACDCFF-UHFFFAOYSA-N 2 0 346.421 3.211 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000834784188 1293148225 /nfs/dbraw/zinc/14/82/25/1293148225.db2.gz ZBIDVECEMUDWSH-SCCNAQOGSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000118869619 1293244734 /nfs/dbraw/zinc/24/47/34/1293244734.db2.gz BZEDHEQRFWIEQK-HXUWFJFHSA-N 2 0 343.515 3.030 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000121540566 1293376272 /nfs/dbraw/zinc/37/62/72/1293376272.db2.gz RAVKOBVZTMTQDC-OAHLLOKOSA-N 2 0 343.309 3.204 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000131444704 1293690382 /nfs/dbraw/zinc/69/03/82/1293690382.db2.gz UMWHVCYBRUUVEF-UHFFFAOYSA-N 2 0 332.536 3.043 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132469375 1293720083 /nfs/dbraw/zinc/72/00/83/1293720083.db2.gz OSUQSBHHERQXGO-XLIONFOSSA-N 2 0 333.520 3.008 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000151123819 1293909000 /nfs/dbraw/zinc/90/90/00/1293909000.db2.gz ZTBOXUDWRSNLJA-SFHVURJKSA-N 2 0 344.547 3.043 20 0 EGADRP CN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@@H]1CCC[N@H+](C)C1 ZINC000152424288 1293967891 /nfs/dbraw/zinc/96/78/91/1293967891.db2.gz CAKFEICXRJGWNK-OAHLLOKOSA-N 2 0 340.467 3.055 20 0 EGADRP CC[NH+]1CCC(N(C)Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000157437174 1294178061 /nfs/dbraw/zinc/17/80/61/1294178061.db2.gz JRKOLYJPJUIDCW-UHFFFAOYSA-N 2 0 328.456 3.326 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000159087379 1294225013 /nfs/dbraw/zinc/22/50/13/1294225013.db2.gz PXJIEOYVVGSLSR-QGZVFWFLSA-N 2 0 334.504 3.107 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000164745949 1294352694 /nfs/dbraw/zinc/35/26/94/1294352694.db2.gz WILYALIUAIUDOB-MOPGFXCFSA-N 2 0 331.504 3.052 20 0 EGADRP CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000182959184 1295087534 /nfs/dbraw/zinc/08/75/34/1295087534.db2.gz PJIRNWFMABBIFR-LPHOPBHVSA-N 2 0 334.504 3.493 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)cc1C[NH+]1CCCCC1 ZINC000182976976 1295088971 /nfs/dbraw/zinc/08/89/71/1295088971.db2.gz MASLJVOLUMCDHH-VQIMIIECSA-N 2 0 334.504 3.349 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000187754335 1295414779 /nfs/dbraw/zinc/41/47/79/1295414779.db2.gz VYBKKQAQYCJBPV-DOTOQJQBSA-N 2 0 339.524 3.237 20 0 EGADRP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000870871454 1296122788 /nfs/dbraw/zinc/12/27/88/1296122788.db2.gz ZLCARHHSAPUEPP-HDICACEKSA-N 2 0 329.488 3.171 20 0 EGADRP O=C(CC[NH2+]CC1CC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000870886708 1296130607 /nfs/dbraw/zinc/13/06/07/1296130607.db2.gz QKCMEHUXEGQAGT-UHFFFAOYSA-N 2 0 343.515 3.069 20 0 EGADRP CC[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)N1CCCC1 ZINC000236998789 1296215480 /nfs/dbraw/zinc/21/54/80/1296215480.db2.gz LFUYPCIRYHTKCO-FQEVSTJZSA-N 2 0 345.531 3.125 20 0 EGADRP Cc1ncccc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237636085 1296253995 /nfs/dbraw/zinc/25/39/95/1296253995.db2.gz BITIGGZSVDSWQQ-CALCHBBNSA-N 2 0 339.483 3.289 20 0 EGADRP NC(=O)c1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000237766134 1296263249 /nfs/dbraw/zinc/26/32/49/1296263249.db2.gz RIYFPBHUEQVKGY-UHFFFAOYSA-N 2 0 337.467 3.061 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261545694 1296593361 /nfs/dbraw/zinc/59/33/61/1296593361.db2.gz GJESSCTWAZNMRI-PCCBWWKXSA-N 3 0 329.532 3.396 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261545692 1296594246 /nfs/dbraw/zinc/59/42/46/1296594246.db2.gz GJESSCTWAZNMRI-ACRUOGEOSA-N 3 0 329.532 3.396 20 0 EGADRP CC1(C)CCc2onc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2C1 ZINC000872143828 1296764783 /nfs/dbraw/zinc/76/47/83/1296764783.db2.gz XWDDZLAGFYRDEC-CVEARBPZSA-N 2 0 331.504 3.401 20 0 EGADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1)C1CCCC1 ZINC000872158020 1296777287 /nfs/dbraw/zinc/77/72/87/1296777287.db2.gz RURULJOEWPVHGL-YWZLYKJASA-N 2 0 334.479 3.438 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000872222784 1296827336 /nfs/dbraw/zinc/82/73/36/1296827336.db2.gz DUZYXVFZVSOMQX-UHFFFAOYSA-N 2 0 335.467 3.254 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000872282266 1296890667 /nfs/dbraw/zinc/89/06/67/1296890667.db2.gz FYVCJERGQSUVLL-CEXWTWQISA-N 2 0 335.536 3.009 20 0 EGADRP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCNC(=O)CC2)CCCCC1 ZINC000873172250 1297323403 /nfs/dbraw/zinc/32/34/03/1297323403.db2.gz QUZFECKABWBWBE-IBGZPJMESA-N 2 0 343.515 3.080 20 0 EGADRP CC(C)(CO)[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873211692 1297356126 /nfs/dbraw/zinc/35/61/26/1297356126.db2.gz RJHNKBVJVWNKGU-GOSISDBHSA-N 2 0 330.497 3.243 20 0 EGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCCC34CCCCC4)c2)nn1 ZINC000873243011 1297384254 /nfs/dbraw/zinc/38/42/54/1297384254.db2.gz ICORNPXXHWPEOP-LJQANCHMSA-N 2 0 339.487 3.319 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000873246553 1297386697 /nfs/dbraw/zinc/38/66/97/1297386697.db2.gz WTBGWUAFMIPGRB-DOTOQJQBSA-N 2 0 329.488 3.242 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873263548 1297396563 /nfs/dbraw/zinc/39/65/63/1297396563.db2.gz JIUMCDODCZBRPN-BWUHRYBWSA-N 3 0 327.516 3.017 20 0 EGADRP Fc1ccc([C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)nc1 ZINC000873262683 1297397230 /nfs/dbraw/zinc/39/72/30/1297397230.db2.gz BIFNRJQPTMUYQA-GVZBARQTSA-N 2 0 325.431 3.430 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCS2 ZINC000873288767 1297411223 /nfs/dbraw/zinc/41/12/23/1297411223.db2.gz BQIJEHCIHWFHBT-GOEBONIOSA-N 2 0 336.476 3.111 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2ccccc2n1 ZINC000873289977 1297412897 /nfs/dbraw/zinc/41/28/97/1297412897.db2.gz AFBLWJNWFUXPRS-NVXWUHKLSA-N 2 0 325.456 3.044 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000873291579 1297414191 /nfs/dbraw/zinc/41/41/91/1297414191.db2.gz KOYLFTPZLVNBQB-VQTJNVASSA-N 2 0 328.500 3.064 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291859 1297414507 /nfs/dbraw/zinc/41/45/07/1297414507.db2.gz YOMDCDSUYMFLIZ-ZFWWWQNUSA-N 2 0 338.879 3.158 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1C ZINC000365664078 1297508465 /nfs/dbraw/zinc/50/84/65/1297508465.db2.gz PASDGHVWPOMNAV-IAGOWNOFSA-N 2 0 340.471 3.244 20 0 EGADRP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000378887049 1297523572 /nfs/dbraw/zinc/52/35/72/1297523572.db2.gz MLBVQJVKKMOCCD-IBGZPJMESA-N 2 0 329.532 3.158 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000387628032 1297598933 /nfs/dbraw/zinc/59/89/33/1297598933.db2.gz DPORHZJPMAKYJA-GHTZIAJQSA-N 2 0 345.531 3.039 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000396444607 1297687477 /nfs/dbraw/zinc/68/74/77/1297687477.db2.gz OEFSELMPABKHFQ-LBPRGKRZSA-N 2 0 326.868 3.177 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(F)cc1Br)C1CC[NH+](C)CC1 ZINC000396473134 1297687686 /nfs/dbraw/zinc/68/76/86/1297687686.db2.gz ZFHBJZVRUHZJQI-NSHDSACASA-N 2 0 329.257 3.408 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000397494369 1297701702 /nfs/dbraw/zinc/70/17/02/1297701702.db2.gz OSSOOPFKOQJNOA-GOSISDBHSA-N 3 0 329.532 3.219 20 0 EGADRP CO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000397527720 1297701919 /nfs/dbraw/zinc/70/19/19/1297701919.db2.gz XJYUBGQZUCAPIB-PMACEKPBSA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400432557 1297730644 /nfs/dbraw/zinc/73/06/44/1297730644.db2.gz LOAINNZPYLDNNQ-INIZCTEOSA-N 2 0 341.540 3.342 20 0 EGADRP CC[NH+]1CCC([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000401318127 1297739313 /nfs/dbraw/zinc/73/93/13/1297739313.db2.gz GWWRZEKSKJFWDJ-UHFFFAOYSA-N 2 0 347.503 3.285 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404518639 1297755634 /nfs/dbraw/zinc/75/56/34/1297755634.db2.gz URAHURMOWARMEL-DWRORGKVSA-N 2 0 331.504 3.014 20 0 EGADRP C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000703992576 1298205187 /nfs/dbraw/zinc/20/51/87/1298205187.db2.gz BPFPUTWJOGYTTK-DOTOQJQBSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000704372612 1298205784 /nfs/dbraw/zinc/20/57/84/1298205784.db2.gz GHVKAGCBZICMHD-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000715187456 1298278193 /nfs/dbraw/zinc/27/81/93/1298278193.db2.gz WKDIGPJTMFAQLQ-GYXIZQIFSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715193149 1298279059 /nfs/dbraw/zinc/27/90/59/1298279059.db2.gz HFLSZLORKVKSOI-TWMKSMIVSA-N 2 0 339.524 3.094 20 0 EGADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000719901274 1298323055 /nfs/dbraw/zinc/32/30/55/1298323055.db2.gz CDUCSADVPMECIW-VAMGGRTRSA-N 2 0 343.515 3.017 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000723687344 1298341886 /nfs/dbraw/zinc/34/18/86/1298341886.db2.gz TUZLWDGGKPTSFJ-LLVKDONJSA-N 2 0 347.684 3.152 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724043653 1298345041 /nfs/dbraw/zinc/34/50/41/1298345041.db2.gz BSUQMECGRPIFAQ-GVDBMIGSSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857192225 1328524447 /nfs/dbraw/zinc/52/44/47/1328524447.db2.gz FCVAICOPVSNXOZ-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000876632258 1298883924 /nfs/dbraw/zinc/88/39/24/1298883924.db2.gz RUGWNEXNNCSJBR-UHFFFAOYSA-N 2 0 341.540 3.201 20 0 EGADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000876730913 1298943469 /nfs/dbraw/zinc/94/34/69/1298943469.db2.gz MEPLWKHMIPLJCC-SFHVURJKSA-N 2 0 347.503 3.095 20 0 EGADRP CO[C@@H](C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000876993546 1299105683 /nfs/dbraw/zinc/10/56/83/1299105683.db2.gz JUHPJEHDSDHNBK-FQEVSTJZSA-N 2 0 338.536 3.062 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877020304 1299116581 /nfs/dbraw/zinc/11/65/81/1299116581.db2.gz ONROYAWRLFCZCC-MRXNPFEDSA-N 2 0 341.540 3.247 20 0 EGADRP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877069850 1299144084 /nfs/dbraw/zinc/14/40/84/1299144084.db2.gz HMAFRKRHYNRHKM-JKSUJKDBSA-N 2 0 341.540 3.390 20 0 EGADRP C[NH+]1CCC2(CCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000877192569 1299201618 /nfs/dbraw/zinc/20/16/18/1299201618.db2.gz OGBIHGSKBLTTKO-SFHVURJKSA-N 2 0 343.515 3.047 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877584456 1299414266 /nfs/dbraw/zinc/41/42/66/1299414266.db2.gz GBATVQGAAMXPLS-INIZCTEOSA-N 2 0 339.524 3.003 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877653558 1299456183 /nfs/dbraw/zinc/45/61/83/1299456183.db2.gz NGZJVGMHYHAKGL-INIZCTEOSA-N 2 0 339.524 3.003 20 0 EGADRP COc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(C)c1OC ZINC000877684781 1299477179 /nfs/dbraw/zinc/47/71/79/1299477179.db2.gz XMLBVFZQRIICNA-UHFFFAOYSA-N 2 0 332.488 3.320 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000877684868 1299478330 /nfs/dbraw/zinc/47/83/30/1299478330.db2.gz BGCSATJBQQRSPG-UHFFFAOYSA-N 2 0 330.501 3.446 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C ZINC000877746565 1299523257 /nfs/dbraw/zinc/52/32/57/1299523257.db2.gz FNARCHJFSJMGBW-WAYWQWQTSA-N 2 0 341.543 3.337 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC000753654262 1300000289 /nfs/dbraw/zinc/00/02/89/1300000289.db2.gz NIVRFOJWOMZFJA-SFHVURJKSA-N 2 0 347.547 3.236 20 0 EGADRP CN(C)c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccn1 ZINC000754012431 1300063073 /nfs/dbraw/zinc/06/30/73/1300063073.db2.gz XQUXFGPXMFHYNW-UHFFFAOYSA-N 2 0 330.520 3.236 20 0 EGADRP CC[NH+](CC)CCCN1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000755071551 1300279890 /nfs/dbraw/zinc/27/98/90/1300279890.db2.gz VHKKHPSKKQRDFA-UHFFFAOYSA-N 2 0 327.513 3.098 20 0 EGADRP Cc1ccccc1-c1nc(CN2CCC3(CC2)CC[NH+](C)CC3)no1 ZINC000879249532 1300453377 /nfs/dbraw/zinc/45/33/77/1300453377.db2.gz SXCMSSXHSWWQMI-UHFFFAOYSA-N 2 0 340.471 3.353 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(-c3ccccn3)nc1)CC2 ZINC000879250915 1300454187 /nfs/dbraw/zinc/45/41/87/1300454187.db2.gz MIEHWZQLBUJEHW-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759134674 1301021059 /nfs/dbraw/zinc/02/10/59/1301021059.db2.gz IYAMCQHZTBGJJV-IYBDPMFKSA-N 2 0 341.540 3.247 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1)NC(=O)OC(C)(C)C ZINC000760895975 1301360075 /nfs/dbraw/zinc/36/00/75/1301360075.db2.gz BXWOUNJTWNYESZ-HOTGVXAUSA-N 2 0 341.540 3.390 20 0 EGADRP FC(F)(F)[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000761056443 1301396334 /nfs/dbraw/zinc/39/63/34/1301396334.db2.gz XMSLSFZHBNBPRH-JZIZGNRHSA-N 2 0 330.316 3.311 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000761202130 1301420789 /nfs/dbraw/zinc/42/07/89/1301420789.db2.gz LCJRJFCMAIDJGW-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000769685174 1303157472 /nfs/dbraw/zinc/15/74/72/1303157472.db2.gz QTHJKLBJUOOUBL-IKGGRYGDSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H]1CC[C@H](C[NH+](C)[C@H]2CC[C@H]([N@@H+](C)C[C@H]3CC[C@@H](C)O3)CC2)O1 ZINC000886389711 1303453707 /nfs/dbraw/zinc/45/37/07/1303453707.db2.gz VHVVLQMMCSNVTB-BZIXAJQCSA-N 2 0 338.536 3.296 20 0 EGADRP CO[C@@H]1CC[C@@H]([NH+](C)[C@@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@@H](OC)C3)CC2)C1 ZINC000886389450 1303453818 /nfs/dbraw/zinc/45/38/18/1303453818.db2.gz JSMBLKDBBALJAC-IGOIZDSHSA-N 2 0 338.536 3.296 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CCC(C)([NH+]3CCCC3)CC1)C2 ZINC000886500402 1303478133 /nfs/dbraw/zinc/47/81/33/1303478133.db2.gz VCRQQTMZQPONJT-FDYSRKEFSA-N 2 0 328.504 3.029 20 0 EGADRP c1cnc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000886526265 1303487473 /nfs/dbraw/zinc/48/74/73/1303487473.db2.gz ILFRKNXTYKJZGY-HXUWFJFHSA-N 2 0 337.467 3.333 20 0 EGADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000886717615 1303578860 /nfs/dbraw/zinc/57/88/60/1303578860.db2.gz DXIHYDXYTCVLLH-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775374904 1303948833 /nfs/dbraw/zinc/94/88/33/1303948833.db2.gz HOZMTKQJLVJWKS-VQHPVUNQSA-N 2 0 328.591 3.468 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC(C)(C)O)cc1C[NH+]1CCCCC1 ZINC000775585093 1303988740 /nfs/dbraw/zinc/98/87/40/1303988740.db2.gz CUNDCLLHWZNCRS-INIZCTEOSA-N 2 0 334.504 3.493 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000779072840 1304525673 /nfs/dbraw/zinc/52/56/73/1304525673.db2.gz MLYLGMIVJLFDOV-QGZVFWFLSA-N 2 0 341.540 3.484 20 0 EGADRP Cc1c(C[NH2+]CC2(C)CC[NH+](C)CC2)sc2nc(C)nc(C)c12 ZINC000779985226 1304628796 /nfs/dbraw/zinc/62/87/96/1304628796.db2.gz AVJZXCGZBLZQNI-UHFFFAOYSA-N 2 0 332.517 3.438 20 0 EGADRP c1ccc2c(c1)CC[C@H]2C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000780290795 1304673020 /nfs/dbraw/zinc/67/30/20/1304673020.db2.gz ZCURNHLDTQAWQC-FQEVSTJZSA-N 2 0 328.500 3.151 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000780746972 1304733445 /nfs/dbraw/zinc/73/34/45/1304733445.db2.gz SWVVWWUWKVHLGT-LSDHHAIUSA-N 2 0 346.462 3.065 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000781423889 1304826384 /nfs/dbraw/zinc/82/63/84/1304826384.db2.gz UGZASGWFALXKFC-RYFAJOAYSA-N 2 0 341.543 3.361 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781976191 1304898484 /nfs/dbraw/zinc/89/84/84/1304898484.db2.gz NRSOEKMGMHDNSD-INIZCTEOSA-N 2 0 339.524 3.240 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782761883 1305010935 /nfs/dbraw/zinc/01/09/35/1305010935.db2.gz AMNZFZYYAGPKGL-VQTJNVASSA-N 2 0 334.504 3.101 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000783325237 1305081332 /nfs/dbraw/zinc/08/13/32/1305081332.db2.gz GLPKCYNNETWAHC-VQHPVUNQSA-N 2 0 339.524 3.142 20 0 EGADRP C[N@H+](CCC[NH+]1CCCCC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787992576 1305840236 /nfs/dbraw/zinc/84/02/36/1305840236.db2.gz HJKBSDKUQQCOMF-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000788025797 1305848154 /nfs/dbraw/zinc/84/81/54/1305848154.db2.gz UMDQQJAMCLNMRM-QGZVFWFLSA-N 2 0 342.405 3.421 20 0 EGADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857199136 1328524617 /nfs/dbraw/zinc/52/46/17/1328524617.db2.gz COQXPQPZZXPEOU-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(CC)cc2)[C@H](C)C1 ZINC000789385201 1306152734 /nfs/dbraw/zinc/15/27/34/1306152734.db2.gz XSSHSKAADXGGOI-JRGCBEDISA-N 2 0 348.531 3.009 20 0 EGADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000894099801 1306219571 /nfs/dbraw/zinc/21/95/71/1306219571.db2.gz BYZQXFQHEOMTGZ-KRWDZBQOSA-N 2 0 331.504 3.376 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000790049257 1306253955 /nfs/dbraw/zinc/25/39/55/1306253955.db2.gz NPOKPJASOLLTPW-FQEVSTJZSA-N 2 0 338.495 3.489 20 0 EGADRP Cc1ncoc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000894328525 1306344578 /nfs/dbraw/zinc/34/45/78/1306344578.db2.gz ZUUZJFRAGQJWHJ-UHFFFAOYSA-N 2 0 343.471 3.144 20 0 EGADRP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000894386260 1306371227 /nfs/dbraw/zinc/37/12/27/1306371227.db2.gz XUDNDYCMDNBCDU-UHFFFAOYSA-N 2 0 338.499 3.494 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000894600628 1308973369 /nfs/dbraw/zinc/97/33/69/1308973369.db2.gz JDKNRMHQOUNDPG-UHFFFAOYSA-N 3 0 341.543 3.316 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-n2cccn2)c(F)c1 ZINC000894624125 1308984405 /nfs/dbraw/zinc/98/44/05/1308984405.db2.gz SRYJXBKRVOTJST-HZTRTUMWSA-N 2 0 328.435 3.287 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000894814104 1309084674 /nfs/dbraw/zinc/08/46/74/1309084674.db2.gz XZJLBDULGJQYQO-INIZCTEOSA-N 2 0 338.293 3.323 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896407605 1309845899 /nfs/dbraw/zinc/84/58/99/1309845899.db2.gz SOYDWESXAUFSGX-QFBILLFUSA-N 2 0 343.515 3.201 20 0 EGADRP COC(=O)c1ccccc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000897309618 1310284184 /nfs/dbraw/zinc/28/41/84/1310284184.db2.gz KYSNTGVMWAZWKI-UHFFFAOYSA-N 2 0 344.499 3.402 20 0 EGADRP [NH3+]Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000826015897 1320378317 /nfs/dbraw/zinc/37/83/17/1320378317.db2.gz HYOXDPNNUZVCIQ-UHFFFAOYSA-N 2 0 337.467 3.061 20 0 EGADRP c1cc(C[NH+]2CCC(C3OCCO3)CC2)ccc1C[NH+]1CCCCC1 ZINC000839482189 1320927123 /nfs/dbraw/zinc/92/71/23/1320927123.db2.gz WQQGTOXXHKATIJ-UHFFFAOYSA-N 2 0 344.499 3.257 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C2CCCC2)C2CCCC2)CC1 ZINC000839541075 1320934959 /nfs/dbraw/zinc/93/49/59/1320934959.db2.gz QQVTWRYBVUMXRU-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NC(C)(C)C[NH+]3CCCC3)c2)C1 ZINC000857283966 1328526178 /nfs/dbraw/zinc/52/61/78/1328526178.db2.gz ZWAVWWVIDIQCDB-IBGZPJMESA-N 2 0 343.515 3.100 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000857902168 1328620231 /nfs/dbraw/zinc/62/02/31/1328620231.db2.gz PYIXMLHEJVQDNM-QGZVFWFLSA-N 2 0 345.874 3.453 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC[NH+](C)CC1 ZINC000857913689 1328623003 /nfs/dbraw/zinc/62/30/03/1328623003.db2.gz WVWHQHRQMLXBJO-CYBMUJFWSA-N 2 0 325.909 3.139 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000957283492 1317260426 /nfs/dbraw/zinc/26/04/26/1317260426.db2.gz BEQKXXAHEXUHHD-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001019465831 1317261836 /nfs/dbraw/zinc/26/18/36/1317261836.db2.gz KKEUWROLAODDOL-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C)cc1C[NH+]1CCCCC1 ZINC000806169195 1317468211 /nfs/dbraw/zinc/46/82/11/1317468211.db2.gz BZYZSVKWDCILFZ-DLBZAZTESA-N 2 0 333.520 3.282 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)CC1 ZINC000957574716 1317471846 /nfs/dbraw/zinc/47/18/46/1317471846.db2.gz GGKVWRRCQKKSIT-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC000957617378 1317499242 /nfs/dbraw/zinc/49/92/42/1317499242.db2.gz JDYVELCNTVAGBO-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957617349 1317499279 /nfs/dbraw/zinc/49/92/79/1317499279.db2.gz IDDSBPRLQNBIPJ-IBGZPJMESA-N 2 0 349.563 3.362 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000957628673 1317505140 /nfs/dbraw/zinc/50/51/40/1317505140.db2.gz WUJXTGROIIQKAP-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001020029177 1317508052 /nfs/dbraw/zinc/50/80/52/1317508052.db2.gz XARNKPGMIKZGGV-MVJPYGJCSA-N 2 0 343.515 3.202 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000957647432 1317518486 /nfs/dbraw/zinc/51/84/86/1317518486.db2.gz HRRKCPCNLZUWTR-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C)C1CCC(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000957656697 1317528129 /nfs/dbraw/zinc/52/81/29/1317528129.db2.gz GBGDXUCRJRDQEY-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000902316981 1317562234 /nfs/dbraw/zinc/56/22/34/1317562234.db2.gz SMZQADKPHNANEM-LJQANCHMSA-N 2 0 333.495 3.158 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000902332281 1317564158 /nfs/dbraw/zinc/56/41/58/1317564158.db2.gz FBFTWKUKGMYBJK-PMACEKPBSA-N 2 0 329.532 3.266 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC000902389236 1317571819 /nfs/dbraw/zinc/57/18/19/1317571819.db2.gz TVVFVTFQYAEAJV-PKOBYXMFSA-N 2 0 328.500 3.448 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3C)C2)CC[N@@H+]1C ZINC001020174623 1317574842 /nfs/dbraw/zinc/57/48/42/1317574842.db2.gz JOYXPFPPVLFSSD-RISVGRPXSA-N 2 0 343.515 3.023 20 0 EGADRP CSc1ccc(Br)cc1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000902430132 1317577950 /nfs/dbraw/zinc/57/79/50/1317577950.db2.gz OVTMQBQYMGEILG-OLZOCXBDSA-N 2 0 329.307 3.183 20 0 EGADRP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cn1 ZINC000902503558 1317585127 /nfs/dbraw/zinc/58/51/27/1317585127.db2.gz SOWIVPNYXLLTMK-IRWQIABSSA-N 2 0 327.403 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020238914 1317604336 /nfs/dbraw/zinc/60/43/36/1317604336.db2.gz HUYMCWOVQIDKNX-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cn(C)nn1 ZINC000902795311 1317616684 /nfs/dbraw/zinc/61/66/84/1317616684.db2.gz CXUWWNAQUBEDAD-AWEZNQCLSA-N 2 0 347.894 3.031 20 0 EGADRP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000902792498 1317616999 /nfs/dbraw/zinc/61/69/99/1317616999.db2.gz AOERVWROYOCNJT-FPOVZHCZSA-N 2 0 346.515 3.081 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](CC)CC2CCCC2)CC1)[NH+](C)C ZINC000957753623 1317622297 /nfs/dbraw/zinc/62/22/97/1317622297.db2.gz ZHLSTVBWKJQHQA-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000957760231 1317627468 /nfs/dbraw/zinc/62/74/68/1317627468.db2.gz UDYAXYUALQCQSZ-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001020297762 1317633576 /nfs/dbraw/zinc/63/35/76/1317633576.db2.gz YKHRHIYYNQAUFJ-ADAWSYLGSA-N 2 0 349.906 3.122 20 0 EGADRP CCC(CC)C[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000957786397 1317644618 /nfs/dbraw/zinc/64/46/18/1317644618.db2.gz PRWQGMMJEWMKAJ-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903061829 1317645424 /nfs/dbraw/zinc/64/54/24/1317645424.db2.gz KTYQWVGWOKOFMH-HNNXBMFYSA-N 2 0 347.503 3.284 20 0 EGADRP CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1F ZINC000903072074 1317648288 /nfs/dbraw/zinc/64/82/88/1317648288.db2.gz BXJOFFIWFKDTEA-ZNXRZULTSA-N 2 0 331.479 3.399 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000903090826 1317650212 /nfs/dbraw/zinc/65/02/12/1317650212.db2.gz HWVRIUXYPCPSLM-OAQYLSRUSA-N 2 0 339.483 3.305 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020339904 1317651585 /nfs/dbraw/zinc/65/15/85/1317651585.db2.gz AILJBNSEFZGUSD-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903114033 1317655506 /nfs/dbraw/zinc/65/55/06/1317655506.db2.gz SGAXLZAVUOSRIL-CQSZACIVSA-N 2 0 339.524 3.285 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)c1cccc(F)c1 ZINC000903119394 1317656859 /nfs/dbraw/zinc/65/68/59/1317656859.db2.gz ZULWCEOWFJWHBZ-MDMHHNQBSA-N 2 0 334.479 3.346 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903122180 1317658686 /nfs/dbraw/zinc/65/86/86/1317658686.db2.gz WTRYSZLNWDSWDV-JLYLLQBASA-N 2 0 343.471 3.155 20 0 EGADRP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000903172592 1317667512 /nfs/dbraw/zinc/66/75/12/1317667512.db2.gz SDFZWRATCUORNV-KUIDOIOASA-N 2 0 339.527 3.397 20 0 EGADRP Cc1nc([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)sc1C ZINC000903735486 1317728447 /nfs/dbraw/zinc/72/84/47/1317728447.db2.gz AQNIIFJUAHTGOV-IAGOWNOFSA-N 2 0 349.544 3.098 20 0 EGADRP Cc1nc([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)sc1C ZINC000903735490 1317728745 /nfs/dbraw/zinc/72/87/45/1317728745.db2.gz AQNIIFJUAHTGOV-IRXDYDNUSA-N 2 0 349.544 3.098 20 0 EGADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903755406 1317729261 /nfs/dbraw/zinc/72/92/61/1317729261.db2.gz GQNQZDPABFCICX-GDBMZVCRSA-N 2 0 349.544 3.173 20 0 EGADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789636 1317734326 /nfs/dbraw/zinc/73/43/26/1317734326.db2.gz YSGGJEDURFSJHS-UYTSQGDYSA-N 2 0 328.447 3.043 20 0 EGADRP [NH3+]CC1([C@H]2CCCCN2Cc2nc(-c3ccccc3F)no2)CCC1 ZINC000903812388 1317736700 /nfs/dbraw/zinc/73/67/00/1317736700.db2.gz SGWLDHPUBHNXDC-MRXNPFEDSA-N 2 0 344.434 3.359 20 0 EGADRP Cc1ccc2nc(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)cn2c1 ZINC000903793884 1317736804 /nfs/dbraw/zinc/73/68/04/1317736804.db2.gz WSHZWUNCZFMRHH-UHFFFAOYSA-N 2 0 334.467 3.135 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000903939192 1317751786 /nfs/dbraw/zinc/75/17/86/1317751786.db2.gz UGLBOWRMGNVBGO-UHFFFAOYSA-N 2 0 349.482 3.210 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000903938706 1317751835 /nfs/dbraw/zinc/75/18/35/1317751835.db2.gz HXEDOVHJSZVHIG-UHFFFAOYSA-N 2 0 337.208 3.268 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000903938767 1317751902 /nfs/dbraw/zinc/75/19/02/1317751902.db2.gz JOYXJIRCVGIACI-UHFFFAOYSA-N 2 0 337.208 3.268 20 0 EGADRP OCC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(Cl)c(F)c1 ZINC000903935407 1317752308 /nfs/dbraw/zinc/75/23/08/1317752308.db2.gz OXACWXLCSLROPU-IBGZPJMESA-N 2 0 348.849 3.338 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903987031 1317762710 /nfs/dbraw/zinc/76/27/10/1317762710.db2.gz WXBONFAYMZNIGT-UHFFFAOYSA-N 3 0 327.516 3.219 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1OC(=O)CC ZINC000858246305 1328722042 /nfs/dbraw/zinc/72/20/42/1328722042.db2.gz ZWHITXHLWFHKNU-KRWDZBQOSA-N 2 0 348.487 3.222 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001020591511 1317791988 /nfs/dbraw/zinc/79/19/88/1317791988.db2.gz PLCTVJCSNNMGCG-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000904355727 1317835277 /nfs/dbraw/zinc/83/52/77/1317835277.db2.gz WZUIZTBFXXIXJT-YTQUADARSA-N 2 0 335.511 3.262 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000904406973 1317843362 /nfs/dbraw/zinc/84/33/62/1317843362.db2.gz ZGXQVDKWMJJCGN-JTQLQIEISA-N 2 0 349.219 3.221 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001020673576 1317850637 /nfs/dbraw/zinc/85/06/37/1317850637.db2.gz MJMRWLZZBWXSIO-IHPCNDPISA-N 2 0 347.547 3.378 20 0 EGADRP CCCn1nc(C)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1C ZINC000904458995 1317850692 /nfs/dbraw/zinc/85/06/92/1317850692.db2.gz MFGPJYQBYBDEQN-UHFFFAOYSA-N 2 0 340.515 3.402 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCN1c1ccccc1 ZINC000904468728 1317852371 /nfs/dbraw/zinc/85/23/71/1317852371.db2.gz FWCHWVYQTWTDLF-OAHLLOKOSA-N 2 0 327.497 3.105 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020675956 1317852401 /nfs/dbraw/zinc/85/24/01/1317852401.db2.gz MNANXXGIIBPDGN-UFYCRDLUSA-N 2 0 349.563 3.457 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000904528422 1317857145 /nfs/dbraw/zinc/85/71/45/1317857145.db2.gz XULKNDKALWLJDP-DLBZAZTESA-N 2 0 326.444 3.317 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001020679312 1317857181 /nfs/dbraw/zinc/85/71/81/1317857181.db2.gz MHWZEYGWWFBXFU-PIKOESSRSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](CCCNC(=O)Nc1ccccc1C[NH3+])C1CCCCC1 ZINC000904628595 1317871826 /nfs/dbraw/zinc/87/18/26/1317871826.db2.gz PPHBDFJORFLJKD-UHFFFAOYSA-N 2 0 332.492 3.312 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000809735331 1317882637 /nfs/dbraw/zinc/88/26/37/1317882637.db2.gz BDUCEBAFWQCOCX-GOSISDBHSA-N 2 0 344.547 3.041 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000809735524 1317883539 /nfs/dbraw/zinc/88/35/39/1317883539.db2.gz JRFLPCOOROMPQR-OAGGEKHMSA-N 2 0 346.462 3.064 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905048829 1317916435 /nfs/dbraw/zinc/91/64/35/1317916435.db2.gz FNBDXPDROOQHBG-HXUWFJFHSA-N 2 0 348.531 3.063 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001021299254 1318176164 /nfs/dbraw/zinc/17/61/64/1318176164.db2.gz GGDCCJSBYSERIP-RAFMOHDBSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001021357756 1318208887 /nfs/dbraw/zinc/20/88/87/1318208887.db2.gz PLMJMTUXVBVBDS-XUBOLADHSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001021400502 1318233460 /nfs/dbraw/zinc/23/34/60/1318233460.db2.gz XIRKNPZKBUFZAK-OHSMVPPVSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960006321 1318309772 /nfs/dbraw/zinc/30/97/72/1318309772.db2.gz GAGBDYWCMVGCFH-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC000960022024 1318316376 /nfs/dbraw/zinc/31/63/76/1318316376.db2.gz KLZYYQYBMPMLLE-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1)C1CCC1 ZINC000960023892 1318317903 /nfs/dbraw/zinc/31/79/03/1318317903.db2.gz ZKKHWNDRRFUYHB-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC000908503851 1318357638 /nfs/dbraw/zinc/35/76/38/1318357638.db2.gz QRXYAKZYVLOEJW-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC000960131664 1318371817 /nfs/dbraw/zinc/37/18/17/1318371817.db2.gz UNSORJKPSMGSDP-IHPCNDPISA-N 2 0 345.531 3.367 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)c1 ZINC000960222679 1318417942 /nfs/dbraw/zinc/41/79/42/1318417942.db2.gz KLXIMCSRFYUYBF-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)o1 ZINC000960226286 1318420703 /nfs/dbraw/zinc/42/07/03/1318420703.db2.gz PBSKPOUHMLMNAF-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@@H]1C[C@@H](CCNc2cc[nH+]c(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000858457918 1328767593 /nfs/dbraw/zinc/76/75/93/1328767593.db2.gz VZLAZWODUATTOB-SJLPKXTDSA-N 2 0 325.456 3.287 20 0 EGADRP COC(=O)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)CC(C)C ZINC000813332597 1318536314 /nfs/dbraw/zinc/53/63/14/1318536314.db2.gz CTGAHMJLKDDCAQ-LNLFQRSKSA-N 2 0 338.536 3.454 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000858491129 1328777851 /nfs/dbraw/zinc/77/78/51/1328777851.db2.gz YSPYKVCYNWJNMZ-BZUAXINKSA-N 2 0 346.462 3.065 20 0 EGADRP CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021738647 1318645862 /nfs/dbraw/zinc/64/58/62/1318645862.db2.gz BKZHHBWKWQXXMM-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858491928 1328778398 /nfs/dbraw/zinc/77/83/98/1328778398.db2.gz QNGOWWHSKRJWFC-SJORKVTESA-N 2 0 345.487 3.416 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739751 1318648984 /nfs/dbraw/zinc/64/89/84/1318648984.db2.gz MWCGOTHSCDPRLH-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960664774 1318780962 /nfs/dbraw/zinc/78/09/62/1318780962.db2.gz LPPUZPRNSXXSMG-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001022069971 1318787935 /nfs/dbraw/zinc/78/79/35/1318787935.db2.gz PUYJDZGAIZMPFA-IJXRJRJASA-N 2 0 343.515 3.166 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001022077471 1318792524 /nfs/dbraw/zinc/79/25/24/1318792524.db2.gz POYWGWSVACEQOD-HAGHYFMRSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022202276 1318840864 /nfs/dbraw/zinc/84/08/64/1318840864.db2.gz VKZJECGBVZOKPD-IJXRJRJASA-N 2 0 343.515 3.247 20 0 EGADRP CC(C)Oc1ccc([C@H](CNc2cc[nH+]c(CO)c2)[NH+](C)C)cc1 ZINC000858548066 1328792830 /nfs/dbraw/zinc/79/28/30/1328792830.db2.gz QSTOPXDFIBZXFR-IBGZPJMESA-N 2 0 329.444 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022585002 1319004027 /nfs/dbraw/zinc/00/40/27/1319004027.db2.gz INIGPMLZFXHTQZ-SLFFLAALSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001022596032 1319008811 /nfs/dbraw/zinc/00/88/11/1319008811.db2.gz GABSLSINWMMDGT-XCDZQEORSA-N 2 0 343.515 3.023 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815560561 1319016744 /nfs/dbraw/zinc/01/67/44/1319016744.db2.gz KHRQAWDTPQTHNQ-VDZJLULYSA-N 2 0 343.471 3.311 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCC1 ZINC000960975398 1319110018 /nfs/dbraw/zinc/11/00/18/1319110018.db2.gz VLQQPOXTAXAZCY-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001022804510 1319117593 /nfs/dbraw/zinc/11/75/93/1319117593.db2.gz OHYKWTPSZHDLDF-QRQLOZEOSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001022808999 1319119176 /nfs/dbraw/zinc/11/91/76/1319119176.db2.gz DSRYEZQGGYOQIV-YTQUADARSA-N 2 0 343.515 3.025 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001022838469 1319132273 /nfs/dbraw/zinc/13/22/73/1319132273.db2.gz PEWJCOVMZPRDHW-YRPNKDGESA-N 2 0 345.531 3.131 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC001022886836 1319149856 /nfs/dbraw/zinc/14/98/56/1319149856.db2.gz OGOUNEVOXUOCGY-ZCNNSNEGSA-N 2 0 343.515 3.106 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000961030808 1319153520 /nfs/dbraw/zinc/15/35/20/1319153520.db2.gz FXBLDIZQUCGDOM-QZTJIDSGSA-N 2 0 349.544 3.045 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C(C)(C)C)CC3)C2)C1 ZINC001023086510 1319255695 /nfs/dbraw/zinc/25/56/95/1319255695.db2.gz NZIXQQXKDIJRNL-MYZTUTKLSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001023124323 1319273598 /nfs/dbraw/zinc/27/35/98/1319273598.db2.gz FSLUEOCMRDJLLZ-PBWTXFEYSA-N 2 0 347.547 3.066 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001023124324 1319273803 /nfs/dbraw/zinc/27/38/03/1319273803.db2.gz FSLUEOCMRDJLLZ-RWQQGDIJSA-N 2 0 347.547 3.066 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CCc4ccccc43)CC2)CC1 ZINC000817285608 1319315718 /nfs/dbraw/zinc/31/57/18/1319315718.db2.gz MIODOYMUZJLHKR-HXUWFJFHSA-N 2 0 341.543 3.208 20 0 EGADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)cc1 ZINC000817897203 1319454990 /nfs/dbraw/zinc/45/49/90/1319454990.db2.gz GZVYKXOYIGFLCD-MJGOQNOKSA-N 2 0 338.499 3.477 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900006 1319455744 /nfs/dbraw/zinc/45/57/44/1319455744.db2.gz JMQBPNDHQLRXDQ-RLHVNXBHSA-N 3 0 329.532 3.332 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000817906132 1319456249 /nfs/dbraw/zinc/45/62/49/1319456249.db2.gz UTEHHRMGRXRHAD-IOASZLSFSA-N 2 0 328.859 3.413 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817918601 1319460069 /nfs/dbraw/zinc/46/00/69/1319460069.db2.gz WRUSJEOVYRCRMK-IFXJQAMLSA-N 2 0 325.456 3.013 20 0 EGADRP O=C(CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OCc1ccccc1 ZINC000817922096 1319462171 /nfs/dbraw/zinc/46/21/71/1319462171.db2.gz PVFRMBZFGFDSGP-VAMGGRTRSA-N 2 0 344.499 3.410 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000817925121 1319463250 /nfs/dbraw/zinc/46/32/50/1319463250.db2.gz RMPMXHKCYJGHDM-VHBXLISGSA-N 2 0 331.504 3.112 20 0 EGADRP COc1ccc([C@@H](C)N[C@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817939812 1319468348 /nfs/dbraw/zinc/46/83/48/1319468348.db2.gz CPTMNOJKKXNDCX-APWZRJJASA-N 2 0 331.504 3.084 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC ZINC000817945778 1319472015 /nfs/dbraw/zinc/47/20/15/1319472015.db2.gz LQQFNLWHKBQFIE-SJORKVTESA-N 2 0 333.520 3.187 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(N2CCCOC2=O)cc1 ZINC000817960941 1319478126 /nfs/dbraw/zinc/47/81/26/1319478126.db2.gz SGURDSTZOYNVSD-ZVZYQTTQSA-N 2 0 331.460 3.201 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000817972068 1319481197 /nfs/dbraw/zinc/48/11/97/1319481197.db2.gz SVPNASZJWAZUCW-TXPKVOOTSA-N 3 0 333.520 3.328 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1C[NH+]1CCCCC1 ZINC000817972661 1319482540 /nfs/dbraw/zinc/48/25/40/1319482540.db2.gz ZHKSFHCRLYPGRL-UWVAXJGDSA-N 3 0 345.531 3.472 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1C[NH+]1CCCCC1 ZINC000817977670 1319483841 /nfs/dbraw/zinc/48/38/41/1319483841.db2.gz NQQPHOWMOMYLGM-DLBZAZTESA-N 3 0 333.520 3.459 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001023380499 1319487157 /nfs/dbraw/zinc/48/71/57/1319487157.db2.gz ADOYVHHQZMHQMK-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)oc2c1 ZINC000818340357 1319529668 /nfs/dbraw/zinc/52/96/68/1319529668.db2.gz LFCGQLPODUJNKN-HNNXBMFYSA-N 2 0 340.467 3.319 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379923 1319536377 /nfs/dbraw/zinc/53/63/77/1319536377.db2.gz XEFCZMCZKCEOGK-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000818959707 1319590618 /nfs/dbraw/zinc/59/06/18/1319590618.db2.gz RHPCICTYYZFINH-RHSMWYFYSA-N 2 0 326.431 3.242 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000818963934 1319593789 /nfs/dbraw/zinc/59/37/89/1319593789.db2.gz GAVQLWHYSHEERN-FQEVSTJZSA-N 2 0 330.447 3.491 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818985889 1319605399 /nfs/dbraw/zinc/60/53/99/1319605399.db2.gz ZIBFGGHSSCMZHJ-CXAGYDPISA-N 2 0 328.859 3.223 20 0 EGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819042155 1319620101 /nfs/dbraw/zinc/62/01/01/1319620101.db2.gz GKBKHFORJAEIFG-KRWDZBQOSA-N 2 0 328.859 3.367 20 0 EGADRP CC(C)(C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000819259690 1319681557 /nfs/dbraw/zinc/68/15/57/1319681557.db2.gz LMFRKIHVJIPIDD-MRXNPFEDSA-N 2 0 328.859 3.224 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762180 1319908404 /nfs/dbraw/zinc/90/84/04/1319908404.db2.gz SNEKGPDZPQJQRY-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP O=C(NCCCCC[NH+]1CCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000820637910 1319926362 /nfs/dbraw/zinc/92/63/62/1319926362.db2.gz PDTSOMDSLCDWAF-UHFFFAOYSA-N 2 0 347.503 3.261 20 0 EGADRP COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000820810173 1319958515 /nfs/dbraw/zinc/95/85/15/1319958515.db2.gz QQZNRKFHYJWALF-YWZLYKJASA-N 2 0 328.456 3.141 20 0 EGADRP CCN(C)[C@H](c1nc(-c2ccc(C[NH3+])cc2F)no1)c1ccccc1 ZINC000822901103 1320134498 /nfs/dbraw/zinc/13/44/98/1320134498.db2.gz NYJDKTQCDCIOJP-KRWDZBQOSA-N 2 0 340.402 3.376 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000840724044 1321135158 /nfs/dbraw/zinc/13/51/58/1321135158.db2.gz HXFCDBNKXPJSLC-IVMQYODDSA-N 2 0 331.504 3.408 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OC(=O)CC ZINC000841027431 1321203680 /nfs/dbraw/zinc/20/36/80/1321203680.db2.gz AZGRLIFOEYQRFA-HZPDHXFCSA-N 2 0 334.460 3.008 20 0 EGADRP COc1cccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1OC(C)C ZINC000841034985 1321205511 /nfs/dbraw/zinc/20/55/11/1321205511.db2.gz HUAPHHIVPZYKRZ-UHFFFAOYSA-N 2 0 328.456 3.273 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)ccc1OC(C)C ZINC000841037300 1321206213 /nfs/dbraw/zinc/20/62/13/1321206213.db2.gz XHPILZMPRRGGFC-UHFFFAOYSA-N 2 0 328.456 3.273 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000841088920 1321216605 /nfs/dbraw/zinc/21/66/05/1321216605.db2.gz GCXWAXFEMNRQLJ-ILXRZTDVSA-N 2 0 344.446 3.008 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000841088923 1321216963 /nfs/dbraw/zinc/21/69/63/1321216963.db2.gz GCXWAXFEMNRQLJ-QLFBSQMISA-N 2 0 344.446 3.008 20 0 EGADRP Cc1ccccc1SC[C@H](C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000859215529 1328949100 /nfs/dbraw/zinc/94/91/00/1328949100.db2.gz JIKVYLUHOBOWST-GOSISDBHSA-N 2 0 349.588 3.293 20 0 EGADRP [NH3+][C@@H](Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CC1 ZINC000842570155 1321401725 /nfs/dbraw/zinc/40/17/25/1321401725.db2.gz DQCAEZALVSWTCQ-KRWDZBQOSA-N 2 0 326.444 3.002 20 0 EGADRP CC[N@H+](Cc1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1)C(C)C ZINC000842665749 1321414518 /nfs/dbraw/zinc/41/45/18/1321414518.db2.gz AFXNZLKUUHMMEH-QGZVFWFLSA-N 2 0 328.460 3.434 20 0 EGADRP O[C@H](C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000843066739 1321465398 /nfs/dbraw/zinc/46/53/98/1321465398.db2.gz UBMZRGUTIQQLMC-QZTJIDSGSA-N 2 0 330.497 3.283 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000843107528 1321471166 /nfs/dbraw/zinc/47/11/66/1321471166.db2.gz QXYFSEUNLNXYPN-UHFFFAOYSA-N 2 0 326.868 3.497 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000843178412 1321482229 /nfs/dbraw/zinc/48/22/29/1321482229.db2.gz PLSDIWWRDQHEQU-INIZCTEOSA-N 2 0 346.475 3.374 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@@]4(F)CC[NH2+]C4)n3)cc2)CC1 ZINC000843201507 1321486654 /nfs/dbraw/zinc/48/66/54/1321486654.db2.gz XRBDHFJBBXWTHJ-LJQANCHMSA-N 2 0 344.434 3.127 20 0 EGADRP O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000843339710 1321502387 /nfs/dbraw/zinc/50/23/87/1321502387.db2.gz GNOODGMFOSPQQW-AHJNKEMKSA-N 2 0 336.479 3.439 20 0 EGADRP c1cc(N2CCCCC2)ccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843342528 1321502680 /nfs/dbraw/zinc/50/26/80/1321502680.db2.gz NBSZPUIYMHMSPV-VAMGGRTRSA-N 2 0 327.516 3.197 20 0 EGADRP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843387653 1321509322 /nfs/dbraw/zinc/50/93/22/1321509322.db2.gz SVFJIHBBJAOOKM-KRWDZBQOSA-N 2 0 343.515 3.244 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000843386874 1321509455 /nfs/dbraw/zinc/50/94/55/1321509455.db2.gz DOCISLPFVFNXDP-SJORKVTESA-N 2 0 340.467 3.231 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000843407696 1321512916 /nfs/dbraw/zinc/51/29/16/1321512916.db2.gz WYQBTHUYSXJBOE-UHFFFAOYSA-N 2 0 342.487 3.296 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000844194891 1321577629 /nfs/dbraw/zinc/57/76/29/1321577629.db2.gz LWNXTKQWNQZOIV-GOSISDBHSA-N 2 0 349.906 3.079 20 0 EGADRP COc1cccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)oc21 ZINC000844909433 1321657139 /nfs/dbraw/zinc/65/71/39/1321657139.db2.gz BZAWMDUUNQOIOX-KVSKMBFKSA-N 2 0 344.455 3.302 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000844923868 1321658888 /nfs/dbraw/zinc/65/88/88/1321658888.db2.gz LMLKXIDPEGUHHH-AWEZNQCLSA-N 2 0 341.430 3.262 20 0 EGADRP C[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000845924487 1321754403 /nfs/dbraw/zinc/75/44/03/1321754403.db2.gz LJHIDNYTPCDLDC-GTPINHCMSA-N 2 0 339.524 3.001 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845948947 1321758230 /nfs/dbraw/zinc/75/82/30/1321758230.db2.gz DPSMNLBKSWGWPM-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1F ZINC000845967448 1321759923 /nfs/dbraw/zinc/75/99/23/1321759923.db2.gz BMOPYNGQGVWWLQ-UHFFFAOYSA-N 2 0 336.451 3.151 20 0 EGADRP COC(=O)Cc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000848574482 1321978701 /nfs/dbraw/zinc/97/87/01/1321978701.db2.gz STFLLKSLJKTGGZ-UHFFFAOYSA-N 2 0 344.499 3.289 20 0 EGADRP CC(C)CCNC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000848989809 1322056693 /nfs/dbraw/zinc/05/66/93/1322056693.db2.gz BZMJYPOCIXRCDN-MJGOQNOKSA-N 2 0 330.520 3.447 20 0 EGADRP [NH2+]=C(NCc1cccc(F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849058161 1322062205 /nfs/dbraw/zinc/06/22/05/1322062205.db2.gz RBANCCVJWZRNEG-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849090822 1322074678 /nfs/dbraw/zinc/07/46/78/1322074678.db2.gz QUOJXKKRRBVCCP-LBPRGKRZSA-N 2 0 330.398 3.050 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000849096070 1322076513 /nfs/dbraw/zinc/07/65/13/1322076513.db2.gz YSUWFQSUCKGNMQ-HXUWFJFHSA-N 2 0 336.483 3.131 20 0 EGADRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCCC1 ZINC000849107469 1322081205 /nfs/dbraw/zinc/08/12/05/1322081205.db2.gz NIWQSGHHVAEJQU-UHFFFAOYSA-N 2 0 344.381 3.396 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849117108 1322084959 /nfs/dbraw/zinc/08/49/59/1322084959.db2.gz YQICCIHYWHEUEX-GFCCVEGCSA-N 2 0 344.381 3.253 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000920759177 1322219350 /nfs/dbraw/zinc/21/93/50/1322219350.db2.gz VPPMHBBSGKLELA-QGZVFWFLSA-N 2 0 349.544 3.267 20 0 EGADRP Clc1nc2ccccn2c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850420683 1322244216 /nfs/dbraw/zinc/24/42/16/1322244216.db2.gz RGZSTXXSNYIYMY-UHFFFAOYSA-N 2 0 332.879 3.199 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@H](C)O3)[C@@H](C)C1 ZINC000921748651 1322391379 /nfs/dbraw/zinc/39/13/79/1322391379.db2.gz ZAVONHSMQOFKAS-ZWOKBUDYSA-N 2 0 346.515 3.237 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000922847509 1322631506 /nfs/dbraw/zinc/63/15/06/1322631506.db2.gz SCZYFXYTBVFXES-HQVVEAJESA-N 2 0 335.517 3.491 20 0 EGADRP OCCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCc2ccccc21 ZINC000923315281 1322732270 /nfs/dbraw/zinc/73/22/70/1322732270.db2.gz FKPFUSUVJSPREH-ZJVRTDGDSA-N 2 0 328.500 3.279 20 0 EGADRP O[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000923401308 1322745511 /nfs/dbraw/zinc/74/55/11/1322745511.db2.gz UWWLVACGDRVVCW-SMXSEESUSA-N 2 0 334.891 3.368 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1)C1CCCC1 ZINC000923423526 1322749121 /nfs/dbraw/zinc/74/91/21/1322749121.db2.gz XIHARZROWQGTOF-CWFSZBLJSA-N 2 0 334.479 3.479 20 0 EGADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923483574 1322759913 /nfs/dbraw/zinc/75/99/13/1322759913.db2.gz CQTDOZXDKLKFLO-XLIONFOSSA-N 2 0 337.467 3.346 20 0 EGADRP [NH3+]CC[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000923485243 1322760426 /nfs/dbraw/zinc/76/04/26/1322760426.db2.gz RJSGMIXPBAJZPH-KXBFYZLASA-N 2 0 341.430 3.176 20 0 EGADRP FC(F)(F)[C@@H]1CC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)O1 ZINC000923506825 1322765542 /nfs/dbraw/zinc/76/55/42/1322765542.db2.gz MADCUIDUMYAVSD-KBMXLJTQSA-N 2 0 334.426 3.198 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccco1 ZINC000924577086 1323060302 /nfs/dbraw/zinc/06/03/02/1323060302.db2.gz ALDSSBHJSCAUEH-HXUWFJFHSA-N 2 0 341.499 3.099 20 0 EGADRP CON1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000924678563 1323108457 /nfs/dbraw/zinc/10/84/57/1323108457.db2.gz CGJGDMUTUISLGW-KRWDZBQOSA-N 2 0 331.504 3.176 20 0 EGADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684175 1323112080 /nfs/dbraw/zinc/11/20/80/1323112080.db2.gz JPGKTJRYUMGFCE-KSZLIROESA-N 2 0 341.503 3.286 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc2c1OCO2 ZINC000924704405 1323123331 /nfs/dbraw/zinc/12/33/31/1323123331.db2.gz ORRXSTVICYRESV-HNNXBMFYSA-N 2 0 342.439 3.207 20 0 EGADRP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924842918 1323183652 /nfs/dbraw/zinc/18/36/52/1323183652.db2.gz JDHGSWNFXVXAET-KRWDZBQOSA-N 2 0 345.531 3.436 20 0 EGADRP COc1ccc(CC[NH2+]C2CC[NH+](CCC(C)C)CC2)c(OC)c1 ZINC000924862693 1323189994 /nfs/dbraw/zinc/18/99/94/1323189994.db2.gz YFVANTRCCNFGJK-UHFFFAOYSA-N 2 0 334.504 3.346 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001024188958 1323199968 /nfs/dbraw/zinc/19/99/68/1323199968.db2.gz SOORHTVVVRYLGW-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000963158265 1323220349 /nfs/dbraw/zinc/22/03/49/1323220349.db2.gz WHNQFQWHONXEFV-ACBHZAAOSA-N 2 0 335.536 3.020 20 0 EGADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924940020 1323222250 /nfs/dbraw/zinc/22/22/50/1323222250.db2.gz IDRKEHWDLXTMOA-FSSWDIPSSA-N 2 0 344.543 3.472 20 0 EGADRP COc1ccccc1[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccn1 ZINC000924962779 1323228221 /nfs/dbraw/zinc/22/82/21/1323228221.db2.gz GLSGHZGLTLHGQJ-FQEVSTJZSA-N 2 0 325.456 3.111 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F)N1CC[NH+](C)CC1 ZINC000924963071 1323229879 /nfs/dbraw/zinc/22/98/79/1323229879.db2.gz DGTZORNGLFHHDT-NEPJUHHUSA-N 2 0 348.293 3.419 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000925060404 1323261381 /nfs/dbraw/zinc/26/13/81/1323261381.db2.gz JZCMQMBQPWYOMO-HNNXBMFYSA-N 2 0 332.492 3.338 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853100190 1323281182 /nfs/dbraw/zinc/28/11/82/1323281182.db2.gz ZJKKELLLFRLUKF-LAUBAEHRSA-N 2 0 339.483 3.279 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024365805 1323337955 /nfs/dbraw/zinc/33/79/55/1323337955.db2.gz HYXRFYMGIOZPEF-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024437832 1323398091 /nfs/dbraw/zinc/39/80/91/1323398091.db2.gz WXZDWNPSKMXHIB-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024469253 1323425064 /nfs/dbraw/zinc/42/50/64/1323425064.db2.gz QVIHLPFXJWOCJZ-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479153 1323431501 /nfs/dbraw/zinc/43/15/01/1323431501.db2.gz AOEDDZKKHBCTGA-RBUKOAKNSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024814144 1323718241 /nfs/dbraw/zinc/71/82/41/1323718241.db2.gz ORKLSYDZKXEAJK-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001024967734 1323804213 /nfs/dbraw/zinc/80/42/13/1323804213.db2.gz GHUVACXQDHJHAR-HSALFYBXSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001024983406 1323813776 /nfs/dbraw/zinc/81/37/76/1323813776.db2.gz QPSDVFRSHYOIAV-YLJYHZDGSA-N 2 0 343.515 3.203 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025029224 1323833576 /nfs/dbraw/zinc/83/35/76/1323833576.db2.gz DZKDJEIGRCDVDH-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1)[NH+]1CCCC1 ZINC001025037728 1323840842 /nfs/dbraw/zinc/84/08/42/1323840842.db2.gz MSECVJFZUQQQFX-KRWDZBQOSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435005 1329117075 /nfs/dbraw/zinc/11/70/75/1329117075.db2.gz DLMRBQZOLDXCPL-VHDGCEQUSA-N 2 0 346.862 3.335 20 0 EGADRP O=C(N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001025140860 1323917638 /nfs/dbraw/zinc/91/76/38/1323917638.db2.gz XHIMDYQBLRTUQG-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)o1 ZINC001025172540 1323942389 /nfs/dbraw/zinc/94/23/89/1323942389.db2.gz PBSKPOUHMLMNAF-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC1CCC1)C1CCC1 ZINC001025241378 1324035757 /nfs/dbraw/zinc/03/57/57/1324035757.db2.gz WWWAKUBFQFCPLI-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025286297 1324107058 /nfs/dbraw/zinc/10/70/58/1324107058.db2.gz IOUYTZIZVLIYNB-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP Nc1cc[nH+]c2c1CN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000931515245 1329133996 /nfs/dbraw/zinc/13/39/96/1329133996.db2.gz BYWYDMMQJDLPNS-UHFFFAOYSA-N 2 0 336.483 3.208 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300061 1324132502 /nfs/dbraw/zinc/13/25/02/1324132502.db2.gz AYXSGQKDNRPYQK-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431831 1324267925 /nfs/dbraw/zinc/26/79/25/1324267925.db2.gz CYLVLFBURKDUKS-GJZGRUSLSA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494413 1324847780 /nfs/dbraw/zinc/84/77/80/1324847780.db2.gz NSWXKNOEHYNGNB-VIQWUECVSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001026507346 1324855448 /nfs/dbraw/zinc/85/54/48/1324855448.db2.gz PSMJMLFGZUDLNY-QLOJAFMTSA-N 2 0 347.547 3.211 20 0 EGADRP C[NH+]1CCC(C(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)CC1 ZINC001026553030 1324889118 /nfs/dbraw/zinc/88/91/18/1324889118.db2.gz KLGVLNRWMQKGHA-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC(C)C)CC1 ZINC001026590956 1324916691 /nfs/dbraw/zinc/91/66/91/1324916691.db2.gz NTZNYDQRTBAXNI-ACBHZAAOSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026874890 1325058520 /nfs/dbraw/zinc/05/85/20/1325058520.db2.gz BPWDIELRMPGWEG-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001026957233 1325104842 /nfs/dbraw/zinc/10/48/42/1325104842.db2.gz DHKNBPXMMPPYJK-DLBZAZTESA-N 2 0 348.450 3.147 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)[NH2+]2 ZINC000925471682 1325165619 /nfs/dbraw/zinc/16/56/19/1325165619.db2.gz DFOYTBDKVGNMCI-HCAQKZJRSA-N 2 0 349.469 3.048 20 0 EGADRP c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc1 ZINC000925492866 1325174828 /nfs/dbraw/zinc/17/48/28/1325174828.db2.gz IXZMCNUHYMPFMA-RTWAWAEBSA-N 2 0 327.516 3.413 20 0 EGADRP CC(=O)Nc1ccc(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925494921 1325176785 /nfs/dbraw/zinc/17/67/85/1325176785.db2.gz VWSIYNNIJNPWHM-HXUWFJFHSA-N 2 0 325.456 3.257 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1coc2ccccc21 ZINC000925554880 1325206194 /nfs/dbraw/zinc/20/61/94/1325206194.db2.gz DWDGFAIAFSIBSM-KYNGSXCRSA-N 2 0 328.456 3.461 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1 ZINC000925633691 1325241284 /nfs/dbraw/zinc/24/12/84/1325241284.db2.gz GJPXMWXHYONJNA-IBGZPJMESA-N 2 0 339.439 3.213 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925666745 1325255944 /nfs/dbraw/zinc/25/59/44/1325255944.db2.gz QXWWZGRLZMZUKF-MOPGFXCFSA-N 2 0 327.516 3.161 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925676981 1325259697 /nfs/dbraw/zinc/25/96/97/1325259697.db2.gz RDBOXTVLKYRSNZ-POAQFYNOSA-N 2 0 345.506 3.410 20 0 EGADRP c1cncc([C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CCO2)c1 ZINC000925697126 1325263277 /nfs/dbraw/zinc/26/32/77/1325263277.db2.gz YTPWABIWCZULRW-WCIQWLHISA-N 2 0 329.488 3.060 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000925738323 1325276314 /nfs/dbraw/zinc/27/63/14/1325276314.db2.gz QGISFNDOOJVOKX-OAHLLOKOSA-N 2 0 325.294 3.487 20 0 EGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000925817893 1325314748 /nfs/dbraw/zinc/31/47/48/1325314748.db2.gz XDNNVIJDJJOHOV-LPHOPBHVSA-N 2 0 335.923 3.064 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC000963907200 1325430098 /nfs/dbraw/zinc/43/00/98/1325430098.db2.gz DGYAMHMFMJWPAS-ZLPCBKJTSA-N 2 0 349.544 3.092 20 0 EGADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000964186528 1325485913 /nfs/dbraw/zinc/48/59/13/1325485913.db2.gz UDRDEDKJOSCANE-XEVCZEQESA-N 2 0 347.547 3.188 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486811 1325571391 /nfs/dbraw/zinc/57/13/91/1325571391.db2.gz JNHMHJGUPBDBSQ-OXQOHEQNSA-N 2 0 349.494 3.247 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486809 1325572110 /nfs/dbraw/zinc/57/21/10/1325572110.db2.gz JNHMHJGUPBDBSQ-JXFKEZNVSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926496942 1325576451 /nfs/dbraw/zinc/57/64/51/1325576451.db2.gz BQISVGHPSORRSJ-FOIQADDNSA-N 2 0 330.447 3.142 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC[N@@H+]1C ZINC000857136034 1325578487 /nfs/dbraw/zinc/57/84/87/1325578487.db2.gz ZLTYBUHBZSYORS-AHRSYUTCSA-N 2 0 343.515 3.051 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC1 ZINC000926532450 1325588857 /nfs/dbraw/zinc/58/88/57/1325588857.db2.gz XZUBTSAYJSECOJ-WOJBJXKFSA-N 2 0 331.504 3.402 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926588469 1327627221 /nfs/dbraw/zinc/62/72/21/1327627221.db2.gz WUDSTNQJZIDJMZ-BEFAXECRSA-N 2 0 330.447 3.314 20 0 EGADRP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926588473 1327627751 /nfs/dbraw/zinc/62/77/51/1327627751.db2.gz WUDSTNQJZIDJMZ-HNAYVOBHSA-N 2 0 330.447 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027432780 1327671639 /nfs/dbraw/zinc/67/16/39/1327671639.db2.gz KLCFFHRRJMPSPF-ROUUACIJSA-N 2 0 349.544 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027433594 1327673266 /nfs/dbraw/zinc/67/32/66/1327673266.db2.gz BQXMJELFFPNYRD-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC001027445107 1327685727 /nfs/dbraw/zinc/68/57/27/1327685727.db2.gz ZWENOCQPXFEIQJ-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542938 1327846591 /nfs/dbraw/zinc/84/65/91/1327846591.db2.gz VOXRKOSXCWALAU-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027563618 1327885928 /nfs/dbraw/zinc/88/59/28/1327885928.db2.gz LMYUWAUIAVNYOB-VQTJNVASSA-N 2 0 349.563 3.386 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001027578047 1327912926 /nfs/dbraw/zinc/91/29/26/1327912926.db2.gz ARPXMPBVXXMSBF-PMACEKPBSA-N 2 0 345.531 3.066 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027604327 1327960141 /nfs/dbraw/zinc/96/01/41/1327960141.db2.gz OUXGCCWTVZPGIZ-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027919609 1328397190 /nfs/dbraw/zinc/39/71/90/1328397190.db2.gz YOLIMBFFBOWCTF-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001027971668 1328445304 /nfs/dbraw/zinc/44/53/04/1328445304.db2.gz JUUKBUMYYXXHHW-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027986399 1328457245 /nfs/dbraw/zinc/45/72/45/1328457245.db2.gz WCDXHDIPSDDZBO-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027986421 1328458468 /nfs/dbraw/zinc/45/84/68/1328458468.db2.gz WUSQNDCLYJUHSV-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000865451252 1329699099 /nfs/dbraw/zinc/69/90/99/1329699099.db2.gz ZZZMOCZKTHAELX-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP Cc1nc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)no1 ZINC000931936319 1329772894 /nfs/dbraw/zinc/77/28/94/1329772894.db2.gz XMTRODPYCODIFY-LJQANCHMSA-N 2 0 340.471 3.353 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866469500 1330116414 /nfs/dbraw/zinc/11/64/14/1330116414.db2.gz JBSHQEUGXJNULM-SFHVURJKSA-N 2 0 338.499 3.300 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](CC)C(=O)N(C)c2ccc(C)cc2)CC1 ZINC000866660592 1330138726 /nfs/dbraw/zinc/13/87/26/1330138726.db2.gz HKKOLAFAKKEFMS-LJQANCHMSA-N 2 0 331.504 3.058 20 0 EGADRP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)CC1(C)C ZINC000941186163 1331376144 /nfs/dbraw/zinc/37/61/44/1331376144.db2.gz DQWAMKYAEARQFC-SFHVURJKSA-N 2 0 346.519 3.058 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942302117 1331898267 /nfs/dbraw/zinc/89/82/67/1331898267.db2.gz IWSIHVQSAXHBIT-QAPCUYQASA-N 2 0 342.487 3.211 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530481 1331958855 /nfs/dbraw/zinc/95/88/55/1331958855.db2.gz SLCSHNJFVRHUEA-FXAWDEMLSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942822493 1332042607 /nfs/dbraw/zinc/04/26/07/1332042607.db2.gz LRDKINLRNXYKDG-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943287074 1332138479 /nfs/dbraw/zinc/13/84/79/1332138479.db2.gz HSGKVDNGVMJOAH-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943331993 1332150934 /nfs/dbraw/zinc/15/09/34/1332150934.db2.gz BEIFMBZMSUJRCY-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028267 1332481082 /nfs/dbraw/zinc/48/10/82/1332481082.db2.gz GVWRDZNQIBRZMO-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946779093 1332897844 /nfs/dbraw/zinc/89/78/44/1332897844.db2.gz FZPXXQQDCNDRQG-QRVBRYPASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808691 1332905123 /nfs/dbraw/zinc/90/51/23/1332905123.db2.gz RLRZMJYPWXXSSY-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCC(C)(C)C ZINC000947551545 1333169122 /nfs/dbraw/zinc/16/91/22/1333169122.db2.gz MHBHFDJUXGVJBH-RDJZCZTQSA-N 2 0 342.487 3.353 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663908 1333214434 /nfs/dbraw/zinc/21/44/34/1333214434.db2.gz ZQHBLRMPCDDKOH-CRAIPNDOSA-N 2 0 349.519 3.360 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947726534 1333241989 /nfs/dbraw/zinc/24/19/89/1333241989.db2.gz PSRCTECVUDUKBJ-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435689 1333523971 /nfs/dbraw/zinc/52/39/71/1333523971.db2.gz NVMSQGJSLVDTEG-UXHICEINSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948574504 1333582887 /nfs/dbraw/zinc/58/28/87/1333582887.db2.gz GXEOCAFXYRKNIH-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948643781 1333609404 /nfs/dbraw/zinc/60/94/04/1333609404.db2.gz ZITJQCKVMUDDBO-IBGZPJMESA-N 2 0 345.531 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948711366 1333642497 /nfs/dbraw/zinc/64/24/97/1333642497.db2.gz OVNHKZHXGONURH-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948743575 1333655381 /nfs/dbraw/zinc/65/53/81/1333655381.db2.gz YIBYKRBTLJBIEM-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948771834 1333672096 /nfs/dbraw/zinc/67/20/96/1333672096.db2.gz QPVASLKQUZMYBB-FQEVSTJZSA-N 2 0 345.531 3.126 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000948854358 1333709837 /nfs/dbraw/zinc/70/98/37/1333709837.db2.gz LRTIREFVFAMUGK-RTBURBONSA-N 2 0 343.515 3.075 20 0 EGADRP CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1C[NH+](CCC(C)C)C1 ZINC000950331787 1334043463 /nfs/dbraw/zinc/04/34/63/1334043463.db2.gz VSEZNAGNXVMVPL-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC000951212198 1334209479 /nfs/dbraw/zinc/20/94/79/1334209479.db2.gz HVOCPULECCCLSF-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CC[N@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)Cn1ccnc1 ZINC000968702857 1336017230 /nfs/dbraw/zinc/01/72/30/1336017230.db2.gz POVCCKATEXDVNN-HKUYNNGSSA-N 2 0 346.519 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC(C)C ZINC000968882438 1336079130 /nfs/dbraw/zinc/07/91/30/1336079130.db2.gz NTTBHHBOCMSOHO-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000968904031 1336085460 /nfs/dbraw/zinc/08/54/60/1336085460.db2.gz HDOCECLNTJVFJL-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968916169 1336087505 /nfs/dbraw/zinc/08/75/05/1336087505.db2.gz XYAVSRHVLQZVTA-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000968915762 1336087629 /nfs/dbraw/zinc/08/76/29/1336087629.db2.gz PTWUJPGMWOSBJL-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936453 1336095506 /nfs/dbraw/zinc/09/55/06/1336095506.db2.gz IGKQMYLEWTXZEV-SJLPKXTDSA-N 2 0 342.487 3.355 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CC1CCC1)c1ccn2c[nH+]cc2c1 ZINC000968936511 1336096036 /nfs/dbraw/zinc/09/60/36/1336096036.db2.gz KDKQHZPWDQGEBP-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968967512 1336104530 /nfs/dbraw/zinc/10/45/30/1336104530.db2.gz SCLNBXHVQXBXGG-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC000968996594 1336114242 /nfs/dbraw/zinc/11/42/42/1336114242.db2.gz KQPUNWSUJXXMIK-UXHICEINSA-N 2 0 345.531 3.087 20 0 EGADRP CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969002521 1336115591 /nfs/dbraw/zinc/11/55/91/1336115591.db2.gz VNXUSKAKKUBTRH-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000969170061 1336170552 /nfs/dbraw/zinc/17/05/52/1336170552.db2.gz NAOWBNGVVVIXEZ-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000970674298 1336332396 /nfs/dbraw/zinc/33/23/96/1336332396.db2.gz YQNBPKZAQXGOJG-QGZVFWFLSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001005580485 1336375202 /nfs/dbraw/zinc/37/52/02/1336375202.db2.gz HCGOZTFJQRRFON-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001005772898 1336400714 /nfs/dbraw/zinc/40/07/14/1336400714.db2.gz MTGSOHMMUMYFIL-UHFFFAOYSA-N 2 0 345.531 3.127 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006001477 1336436149 /nfs/dbraw/zinc/43/61/49/1336436149.db2.gz OBICSGRRJPSREO-YLJYHZDGSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005997719 1336436218 /nfs/dbraw/zinc/43/62/18/1336436218.db2.gz PUDUWELVPSUXQG-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006291682 1336484117 /nfs/dbraw/zinc/48/41/17/1336484117.db2.gz HUIUEMCKKYDWKH-ROUUACIJSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006406431 1336500574 /nfs/dbraw/zinc/50/05/74/1336500574.db2.gz ITZQWFJSGJXTTN-GOSISDBHSA-N 2 0 343.515 3.075 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006444162 1336507574 /nfs/dbraw/zinc/50/75/74/1336507574.db2.gz SYSCRRDLQRSKSS-QGZVFWFLSA-N 2 0 345.531 3.331 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007619474 1336678948 /nfs/dbraw/zinc/67/89/48/1336678948.db2.gz NHJBYHOURWRWOG-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001007648879 1336684148 /nfs/dbraw/zinc/68/41/48/1336684148.db2.gz VFUQUJYUEXHRSZ-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001007725082 1336691248 /nfs/dbraw/zinc/69/12/48/1336691248.db2.gz YETMUPFHIDKSEO-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007748991 1336694250 /nfs/dbraw/zinc/69/42/50/1336694250.db2.gz TVYOQUCECLGWQL-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053489 1336759850 /nfs/dbraw/zinc/75/98/50/1336759850.db2.gz USQFUVSVGZJFGC-IEBWSBKVSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001008162939 1336782859 /nfs/dbraw/zinc/78/28/59/1336782859.db2.gz NORIMXFUCRGWMV-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008274818 1336811788 /nfs/dbraw/zinc/81/17/88/1336811788.db2.gz GMMFSUBYBJIMJW-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747605 1336919633 /nfs/dbraw/zinc/91/96/33/1336919633.db2.gz MGSMFFZUHNZJKB-SJLPKXTDSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001008772863 1336923657 /nfs/dbraw/zinc/92/36/57/1336923657.db2.gz WSDWRXSYELTTTK-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccsc2)C1 ZINC001008773634 1336924659 /nfs/dbraw/zinc/92/46/59/1336924659.db2.gz YYESRWLVUSFACS-ZWKOTPCHSA-N 2 0 349.544 3.092 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008978137 1336951139 /nfs/dbraw/zinc/95/11/39/1336951139.db2.gz DNEYEUZJTBCLFE-ICSRJNTNSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)C)C1 ZINC001009167886 1336979751 /nfs/dbraw/zinc/97/97/51/1336979751.db2.gz JYRBUOXZDMFEGP-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001009635817 1337050144 /nfs/dbraw/zinc/05/01/44/1337050144.db2.gz MMZJQQVHNQVQRF-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001014505170 1337801394 /nfs/dbraw/zinc/80/13/94/1337801394.db2.gz AFUSXKMHGTXEKJ-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001014706753 1337876954 /nfs/dbraw/zinc/87/69/54/1337876954.db2.gz ROMQQMRWDNMOJV-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014964736 1337970584 /nfs/dbraw/zinc/97/05/84/1337970584.db2.gz RHHGUFNLNXOPSO-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015110541 1338022662 /nfs/dbraw/zinc/02/26/62/1338022662.db2.gz UXHFEBBLJFVQPF-QUCCMNQESA-N 2 0 348.450 3.290 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015386420 1338119775 /nfs/dbraw/zinc/11/97/75/1338119775.db2.gz HJZKFYNJQWKQDB-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C2)cc1 ZINC001015712634 1338271601 /nfs/dbraw/zinc/27/16/01/1338271601.db2.gz FKURRUWIBYENHU-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015977349 1338389034 /nfs/dbraw/zinc/38/90/34/1338389034.db2.gz UEMKLPJBTQSEMU-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016661590 1338682137 /nfs/dbraw/zinc/68/21/37/1338682137.db2.gz GOMINQGNTXNKMC-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862280 1338751331 /nfs/dbraw/zinc/75/13/31/1338751331.db2.gz VIXZPRQGEVVCBH-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016923833 1338771548 /nfs/dbraw/zinc/77/15/48/1338771548.db2.gz NHUFCHDEWZXELW-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016924806 1338772462 /nfs/dbraw/zinc/77/24/62/1338772462.db2.gz ZWANMUYTYRFGNM-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017129111 1338884872 /nfs/dbraw/zinc/88/48/72/1338884872.db2.gz XVQMKPOVMWYCMY-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCCC3)C2)CC[N@@H+]1C ZINC001017134829 1338887966 /nfs/dbraw/zinc/88/79/66/1338887966.db2.gz YXOCNYGQHUEZKV-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017153456 1338904382 /nfs/dbraw/zinc/90/43/82/1338904382.db2.gz PVRLEPYFFTUDAG-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017658617 1339385460 /nfs/dbraw/zinc/38/54/60/1339385460.db2.gz IFURMKBHCUYYCY-ZRNYENFQSA-N 2 0 347.547 3.115 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176735 1339522654 /nfs/dbraw/zinc/52/26/54/1339522654.db2.gz OQOOWLZFNKGGBT-WCIQWLHISA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018306064 1339570415 /nfs/dbraw/zinc/57/04/15/1339570415.db2.gz PBSQPXSBMDGMQZ-KDURUIRLSA-N 2 0 343.515 3.083 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094390 1340422843 /nfs/dbraw/zinc/42/28/43/1340422843.db2.gz YPMLBNAOJFARBU-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001028097808 1340424631 /nfs/dbraw/zinc/42/46/31/1340424631.db2.gz FURHDVJKXIPLIT-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028538061 1340693566 /nfs/dbraw/zinc/69/35/66/1340693566.db2.gz ZAYJJPXGRREECS-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001028779011 1340809722 /nfs/dbraw/zinc/80/97/22/1340809722.db2.gz RRDOSYGCMGAHNN-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001029003254 1340905457 /nfs/dbraw/zinc/90/54/57/1340905457.db2.gz JRSLDZOMJJUCCM-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC=C(C)C)C2)o1 ZINC001029011599 1340908355 /nfs/dbraw/zinc/90/83/55/1340908355.db2.gz APRRWJQLKREPQQ-QGZVFWFLSA-N 2 0 347.503 3.139 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001029065558 1340922158 /nfs/dbraw/zinc/92/21/58/1340922158.db2.gz HSJUFOOPCAQSPG-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001029065557 1340922219 /nfs/dbraw/zinc/92/22/19/1340922219.db2.gz HSJUFOOPCAQSPG-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001029108406 1340931750 /nfs/dbraw/zinc/93/17/50/1340931750.db2.gz HLVKODTUSSRUDQ-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108193 1340931764 /nfs/dbraw/zinc/93/17/64/1340931764.db2.gz XXLZWLSWZYVDDR-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2C)CC1)[NH+](C)C ZINC001029111938 1340932484 /nfs/dbraw/zinc/93/24/84/1340932484.db2.gz RKBGWARZOPJYOD-YLJYHZDGSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001029113562 1340933268 /nfs/dbraw/zinc/93/32/68/1340933268.db2.gz LRNFZTHJSRVMGC-MRXNPFEDSA-N 2 0 337.552 3.265 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@H](C)[NH2+]CC3CCC3)CC2)C1 ZINC001029133604 1340939275 /nfs/dbraw/zinc/93/92/75/1340939275.db2.gz VNUOLRFATGPKEM-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029306218 1340969672 /nfs/dbraw/zinc/96/96/72/1340969672.db2.gz MQVHKNJMIYGNQX-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)[NH+]1CCCCC1 ZINC001029308809 1340969916 /nfs/dbraw/zinc/96/99/16/1340969916.db2.gz VUXVGWUTTURETP-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1)C1CCC1 ZINC001029339883 1340974082 /nfs/dbraw/zinc/97/40/82/1340974082.db2.gz NWBZPBKDMAOPEB-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001029474035 1340998108 /nfs/dbraw/zinc/99/81/08/1340998108.db2.gz FIZQLLMBRHQEKY-YSIASYRMSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029595584 1341018620 /nfs/dbraw/zinc/01/86/20/1341018620.db2.gz MZUMCKYUTJOEQD-LFGUQSLTSA-N 2 0 347.547 3.115 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029750981 1341063409 /nfs/dbraw/zinc/06/34/09/1341063409.db2.gz YIQFBWQUJGULET-MRXNPFEDSA-N 2 0 349.544 3.004 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001029887525 1341105396 /nfs/dbraw/zinc/10/53/96/1341105396.db2.gz MZZUCGOJPSMBLN-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001029973450 1341140274 /nfs/dbraw/zinc/14/02/74/1341140274.db2.gz BWZQXEYONUOUMG-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001030013763 1341158052 /nfs/dbraw/zinc/15/80/52/1341158052.db2.gz SHDUIVNSEOOADT-SFHVURJKSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)[NH+]1CCCC1 ZINC001030014556 1341158524 /nfs/dbraw/zinc/15/85/24/1341158524.db2.gz AECQMHKPFNFRFQ-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001030020881 1341159823 /nfs/dbraw/zinc/15/98/23/1341159823.db2.gz HBMHUDYZLMTMQE-AYOQOUSVSA-N 2 0 349.494 3.054 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CCC3CCCCC3)C2)cc1 ZINC001031104402 1341278221 /nfs/dbraw/zinc/27/82/21/1341278221.db2.gz RHARJLAQTTXKBH-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031806583 1341404088 /nfs/dbraw/zinc/40/40/88/1341404088.db2.gz HOCLVVALRVKATL-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031849340 1341411152 /nfs/dbraw/zinc/41/11/52/1341411152.db2.gz HZMLKDRPCAJYFY-HXUWFJFHSA-N 2 0 348.450 3.147 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001031919067 1341421920 /nfs/dbraw/zinc/42/19/20/1341421920.db2.gz MCSKJONMEIICLU-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC(CC)C[NH+]1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001032218779 1341475834 /nfs/dbraw/zinc/47/58/34/1341475834.db2.gz CMNFXJKFKNQXCE-UHFFFAOYSA-N 2 0 349.519 3.219 20 0 EGADRP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1)[NH+]1CCCCCC1 ZINC001032664800 1341575809 /nfs/dbraw/zinc/57/58/09/1341575809.db2.gz SQQRKQQFSJJVLI-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001032838343 1341631056 /nfs/dbraw/zinc/63/10/56/1341631056.db2.gz MISAPURZOQORNS-CSODTCANSA-N 2 0 349.563 3.124 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033074933 1341716568 /nfs/dbraw/zinc/71/65/68/1341716568.db2.gz BYYIGQNSHPJDNX-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033125184 1341733450 /nfs/dbraw/zinc/73/34/50/1341733450.db2.gz AIPVZRZLLUTGLK-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033147124 1341739404 /nfs/dbraw/zinc/73/94/04/1341739404.db2.gz SVANWFSEPWBZHC-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001033357750 1341795761 /nfs/dbraw/zinc/79/57/61/1341795761.db2.gz BVASHQPSYXXZPX-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033390680 1341808790 /nfs/dbraw/zinc/80/87/90/1341808790.db2.gz MELXGDJJEXBQJW-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033426001 1341822147 /nfs/dbraw/zinc/82/21/47/1341822147.db2.gz MSSVNTMQTHZNRN-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033471578 1341839512 /nfs/dbraw/zinc/83/95/12/1341839512.db2.gz LLRIOUONCDYZOC-QZTJIDSGSA-N 2 0 349.544 3.044 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533255 1341861719 /nfs/dbraw/zinc/86/17/19/1341861719.db2.gz XQYKCADHIYUGFU-ICSRJNTNSA-N 2 0 343.515 3.012 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033575356 1341880352 /nfs/dbraw/zinc/88/03/52/1341880352.db2.gz QYECUEUWJZZOMD-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033581710 1341882179 /nfs/dbraw/zinc/88/21/79/1341882179.db2.gz LSGXWEGUQVQKAU-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033686491 1341950729 /nfs/dbraw/zinc/95/07/29/1341950729.db2.gz PMVGWXMXTRDQOE-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001033835399 1342034731 /nfs/dbraw/zinc/03/47/31/1342034731.db2.gz PGKPXLOOHRVEAC-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989119 1342132679 /nfs/dbraw/zinc/13/26/79/1342132679.db2.gz KMXMRUPHNFTDHK-XLIONFOSSA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033989703 1342133708 /nfs/dbraw/zinc/13/37/08/1342133708.db2.gz OMUIEUXVTZGGSJ-FQEVSTJZSA-N 2 0 343.515 3.251 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001034050418 1342192031 /nfs/dbraw/zinc/19/20/31/1342192031.db2.gz LUQJPVMNABBHQL-KRWDZBQOSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034205396 1342315938 /nfs/dbraw/zinc/31/59/38/1342315938.db2.gz WJSDSCYBPMHVNM-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034238494 1342338888 /nfs/dbraw/zinc/33/88/88/1342338888.db2.gz CQOSFXGMWACWHH-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034250297 1342347125 /nfs/dbraw/zinc/34/71/25/1342347125.db2.gz PMDQABXZUAZQRT-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251447 1342347865 /nfs/dbraw/zinc/34/78/65/1342347865.db2.gz ZHBYHPULFCDAND-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285974 1342373643 /nfs/dbraw/zinc/37/36/43/1342373643.db2.gz VMVFYHOLLIKONT-INIZCTEOSA-N 2 0 328.460 3.027 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001034371007 1342440829 /nfs/dbraw/zinc/44/08/29/1342440829.db2.gz PWVRJVWSJAVNDN-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001034379158 1342449321 /nfs/dbraw/zinc/44/93/21/1342449321.db2.gz BOYZIFNSPWSZJG-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034396408 1342464534 /nfs/dbraw/zinc/46/45/34/1342464534.db2.gz FIWNGPHEPCIVOW-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034396070 1342465267 /nfs/dbraw/zinc/46/52/67/1342465267.db2.gz CSZBSEUIFDUVEB-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001034432694 1342494032 /nfs/dbraw/zinc/49/40/32/1342494032.db2.gz YTSGWPZHDNIXQQ-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001034462085 1342518654 /nfs/dbraw/zinc/51/86/54/1342518654.db2.gz MWZRTLRNOMBTPG-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528302 1342584585 /nfs/dbraw/zinc/58/45/85/1342584585.db2.gz LWECASFZKNICNS-RBUKOAKNSA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536437 1342592944 /nfs/dbraw/zinc/59/29/44/1342592944.db2.gz FZVLIGAINBIYSS-XLIONFOSSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034657058 1342674914 /nfs/dbraw/zinc/67/49/14/1342674914.db2.gz WDQDPQDBRABQOM-QAQDUYKDSA-N 2 0 349.544 3.240 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794998 1342761479 /nfs/dbraw/zinc/76/14/79/1342761479.db2.gz REVXVFILWUERKK-GUDVDZBRSA-N 2 0 343.515 3.169 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794989 1342762045 /nfs/dbraw/zinc/76/20/45/1342762045.db2.gz REVXVFILWUERKK-FHWLQOOXSA-N 2 0 343.515 3.169 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034796254 1342762869 /nfs/dbraw/zinc/76/28/69/1342762869.db2.gz GRNVRUBTDJUNDG-YOQCTACHSA-N 2 0 335.536 3.066 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034950824 1342851433 /nfs/dbraw/zinc/85/14/33/1342851433.db2.gz ACNKMEUSRIJZIP-QGZVFWFLSA-N 2 0 349.544 3.194 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034980413 1342863346 /nfs/dbraw/zinc/86/33/46/1342863346.db2.gz VJUCVSRFRQHSNJ-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C(C)C)[NH+](C)C ZINC001035052605 1342899227 /nfs/dbraw/zinc/89/92/27/1342899227.db2.gz RDFXYCDULPQMBU-QUCCMNQESA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035071589 1342912030 /nfs/dbraw/zinc/91/20/30/1342912030.db2.gz YXHHJMKDYGWENJ-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035194068 1343008073 /nfs/dbraw/zinc/00/80/73/1343008073.db2.gz UFZDHHZBCQRIDA-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001035198214 1343011952 /nfs/dbraw/zinc/01/19/52/1343011952.db2.gz FZBYBKMIXDEIOY-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215983 1343035152 /nfs/dbraw/zinc/03/51/52/1343035152.db2.gz OSXXSILQOHUNCW-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035219784 1343040213 /nfs/dbraw/zinc/04/02/13/1343040213.db2.gz CXWSFZIXWGBAPD-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244225 1343065403 /nfs/dbraw/zinc/06/54/03/1343065403.db2.gz LYTMSORFGAUCST-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036137858 1343323277 /nfs/dbraw/zinc/32/32/77/1343323277.db2.gz PWZZQKIVUXYSMN-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036556723 1343552492 /nfs/dbraw/zinc/55/24/92/1343552492.db2.gz QQDQVAYEZPLZPI-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001036577283 1343561911 /nfs/dbraw/zinc/56/19/11/1343561911.db2.gz FSERCSDUHIVBJV-FXAWDEMLSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036581586 1343564484 /nfs/dbraw/zinc/56/44/84/1343564484.db2.gz ULKFECVTDGSDDP-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755211 1343676820 /nfs/dbraw/zinc/67/68/20/1343676820.db2.gz SMFLKWLDVGCBPM-HKUYNNGSSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@H]21 ZINC001036905841 1343853644 /nfs/dbraw/zinc/85/36/44/1343853644.db2.gz PZXVHRIZOYYLJW-SJLPKXTDSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001037009641 1343926799 /nfs/dbraw/zinc/92/67/99/1343926799.db2.gz OCXMPQXFYXHTSH-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001037088543 1343973000 /nfs/dbraw/zinc/97/30/00/1343973000.db2.gz LLKMHXZDFZFVSU-PMACEKPBSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CC2)cc1 ZINC001037236782 1344059962 /nfs/dbraw/zinc/05/99/62/1344059962.db2.gz SVIYDACUXVICIE-PMACEKPBSA-N 2 0 343.515 3.036 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001037238005 1344061305 /nfs/dbraw/zinc/06/13/05/1344061305.db2.gz XFHLUFFKELSCCQ-PMACEKPBSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037847699 1344135367 /nfs/dbraw/zinc/13/53/67/1344135367.db2.gz AYGSCLNDXZTHCL-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037854705 1344140736 /nfs/dbraw/zinc/14/07/36/1344140736.db2.gz MEXQVWLJUJMPOK-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037857099 1344142933 /nfs/dbraw/zinc/14/29/33/1344142933.db2.gz SUXVQIRBLGTKOO-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038339871 1344387200 /nfs/dbraw/zinc/38/72/00/1344387200.db2.gz KDGLBIITMBJSAK-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCCC1CCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353692 1344394014 /nfs/dbraw/zinc/39/40/14/1344394014.db2.gz OMKCMIJOOXEALS-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353476 1344394764 /nfs/dbraw/zinc/39/47/64/1344394764.db2.gz NKSSVAVSEWCVDM-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038443027 1344429834 /nfs/dbraw/zinc/42/98/34/1344429834.db2.gz FXCLPPLGIKTNSA-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCCC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001038462191 1344434579 /nfs/dbraw/zinc/43/45/79/1344434579.db2.gz KPPIMHFIKYTFFD-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCC2)cc1 ZINC001038815807 1344594497 /nfs/dbraw/zinc/59/44/97/1344594497.db2.gz HEUCBJUPQMOAKD-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CCC(C)CC2)CC1 ZINC001038861866 1344617936 /nfs/dbraw/zinc/61/79/36/1344617936.db2.gz CHBGPYJTBRDCAM-AFMYVXGZSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCCC2)CC1 ZINC001038862407 1344618305 /nfs/dbraw/zinc/61/83/05/1344618305.db2.gz HXTKPGAWVCRWRC-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001038906597 1344644497 /nfs/dbraw/zinc/64/44/97/1344644497.db2.gz CHSZJXBAFJMSLG-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038909163 1344647207 /nfs/dbraw/zinc/64/72/07/1344647207.db2.gz OHJKWXSFSOEMTL-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139478 1344819078 /nfs/dbraw/zinc/81/90/78/1344819078.db2.gz HDOQMEAPYZVEMT-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140520 1344821415 /nfs/dbraw/zinc/82/14/15/1344821415.db2.gz GPJQCACLWQJMCM-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039220394 1344938057 /nfs/dbraw/zinc/93/80/57/1344938057.db2.gz YZHIYVJMYYAOFP-MJGOQNOKSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039220391 1344938069 /nfs/dbraw/zinc/93/80/69/1344938069.db2.gz YZHIYVJMYYAOFP-HKUYNNGSSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039313839 1345009672 /nfs/dbraw/zinc/00/96/72/1345009672.db2.gz SCLVWYHTSAWTKB-RAFMOHDBSA-N 2 0 349.563 3.407 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001039374737 1345033320 /nfs/dbraw/zinc/03/33/20/1345033320.db2.gz IBDHEYMUHSNFIW-SXLOBPIMSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001039578740 1345145003 /nfs/dbraw/zinc/14/50/03/1345145003.db2.gz AFPTYAODLBSZJM-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001039658224 1345154113 /nfs/dbraw/zinc/15/41/13/1345154113.db2.gz AZZMWBYIIVBRJT-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001040260974 1345400252 /nfs/dbraw/zinc/40/02/52/1345400252.db2.gz JRZVSQSUKGBMBQ-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327615 1345434105 /nfs/dbraw/zinc/43/41/05/1345434105.db2.gz GGYNKMNVGPIWHY-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393317 1345473645 /nfs/dbraw/zinc/47/36/45/1345473645.db2.gz ATAAJECZRMFCEQ-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC)C2 ZINC001040489600 1345516960 /nfs/dbraw/zinc/51/69/60/1345516960.db2.gz VXAVSDYVQFPQJY-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040543285 1345538428 /nfs/dbraw/zinc/53/84/28/1345538428.db2.gz NMVNVPNRRNCZQG-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040542468 1345538653 /nfs/dbraw/zinc/53/86/53/1345538653.db2.gz IYJGUAKRLJAJCP-OAQYLSRUSA-N 2 0 343.515 3.085 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733239 1345572131 /nfs/dbraw/zinc/57/21/31/1345572131.db2.gz QQRFJRAMUONNLH-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722862 1345831361 /nfs/dbraw/zinc/83/13/61/1345831361.db2.gz BSNBRJVVBYEAKD-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724491 1345832521 /nfs/dbraw/zinc/83/25/21/1345832521.db2.gz YYXGQGQSZIDAOU-TZIWHRDSSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2C[NH+](CCCC3CCCC3)C2)C1 ZINC001042911697 1346124597 /nfs/dbraw/zinc/12/45/97/1346124597.db2.gz NWDDMENGDYSUHT-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2C[NH+](CCCC3CCCC3)C2)C1 ZINC001042911698 1346124608 /nfs/dbraw/zinc/12/46/08/1346124608.db2.gz NWDDMENGDYSUHT-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC001044002298 1346232111 /nfs/dbraw/zinc/23/21/11/1346232111.db2.gz AFHNKJPEJMDMKC-XBMUEBEBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001044008104 1346233132 /nfs/dbraw/zinc/23/31/32/1346233132.db2.gz RLGHZAKVYRUVNC-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001044008103 1346233225 /nfs/dbraw/zinc/23/32/25/1346233225.db2.gz RLGHZAKVYRUVNC-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1C[NH+](CCC2CCCC2)C1 ZINC001044056456 1346240830 /nfs/dbraw/zinc/24/08/30/1346240830.db2.gz YLKREYNLWWUOTB-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C[C@H]2C)CC1 ZINC001044791116 1346428599 /nfs/dbraw/zinc/42/85/99/1346428599.db2.gz FHFPDLDIVABRPS-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C[C@@H]2C)CC1 ZINC001044794322 1346429353 /nfs/dbraw/zinc/42/93/53/1346429353.db2.gz VMWYYUXEHGUTLP-AZUAARDMSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045100060 1346495187 /nfs/dbraw/zinc/49/51/87/1346495187.db2.gz RRCNDGWFCLHERI-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1)c1ccccc1 ZINC001045106100 1346495514 /nfs/dbraw/zinc/49/55/14/1346495514.db2.gz AKFVTOADIWMVGZ-LPHOPBHVSA-N 2 0 348.450 3.290 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)cc1 ZINC001045242217 1346539238 /nfs/dbraw/zinc/53/92/38/1346539238.db2.gz YEYKCOPVCRJBNZ-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001045531473 1346619312 /nfs/dbraw/zinc/61/93/12/1346619312.db2.gz JUDSUPLYRWCYOX-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045545239 1346625590 /nfs/dbraw/zinc/62/55/90/1346625590.db2.gz VXTAIFQBDGDMRD-QGZVFWFLSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001045639571 1346655850 /nfs/dbraw/zinc/65/58/50/1346655850.db2.gz MJGDYOWDNRDLEG-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001045731479 1346681554 /nfs/dbraw/zinc/68/15/54/1346681554.db2.gz HWGYGGUENXVXEG-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940579 1346776657 /nfs/dbraw/zinc/77/66/57/1346776657.db2.gz AYMQYLKWGPNHMM-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943496 1346779300 /nfs/dbraw/zinc/77/93/00/1346779300.db2.gz JIWDLAUUAWEQBF-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945670 1346781410 /nfs/dbraw/zinc/78/14/10/1346781410.db2.gz WSELGMAUQCSOCG-FPOVZHCZSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1)[NH+]1CCCC1 ZINC001045986177 1346828047 /nfs/dbraw/zinc/82/80/47/1346828047.db2.gz JGFCMAKCODQKMS-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449879 1346978106 /nfs/dbraw/zinc/97/81/06/1346978106.db2.gz MYCVFPKBPWXVDF-KKSFZXQISA-N 2 0 348.450 3.290 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046557806 1347016422 /nfs/dbraw/zinc/01/64/22/1347016422.db2.gz OQFVSGHOYDOBIV-AZUAARDMSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001046597423 1347032596 /nfs/dbraw/zinc/03/25/96/1347032596.db2.gz ICUBNBNXESIUOC-NRFANRHFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](C(C)C)C3)o1 ZINC001047209806 1347245220 /nfs/dbraw/zinc/24/52/20/1347245220.db2.gz XFXXBPDCGJUVCQ-ULQDDVLXSA-N 2 0 347.503 3.113 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CCC)CC2)C1 ZINC001047241286 1347267580 /nfs/dbraw/zinc/26/75/80/1347267580.db2.gz PGZDNTAEBAQCEG-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047242351 1347268259 /nfs/dbraw/zinc/26/82/59/1347268259.db2.gz CNAQACBHXAOWDN-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047242939 1347268831 /nfs/dbraw/zinc/26/88/31/1347268831.db2.gz HNKIOMZZVHLCPV-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001047246618 1347271850 /nfs/dbraw/zinc/27/18/50/1347271850.db2.gz SVBQDWLYDLXKPP-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047265999 1347287136 /nfs/dbraw/zinc/28/71/36/1347287136.db2.gz NNIZECVKBWMACM-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698199 1357350691 /nfs/dbraw/zinc/35/06/91/1357350691.db2.gz OJLDBHBBBAXVGN-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047975904 1347431303 /nfs/dbraw/zinc/43/13/03/1347431303.db2.gz PATBVHWENKYMNY-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CC3CCCC3)C2)CC1 ZINC001048022348 1347442066 /nfs/dbraw/zinc/44/20/66/1347442066.db2.gz UOWSVBSFTNXYQY-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001048583168 1347605866 /nfs/dbraw/zinc/60/58/66/1347605866.db2.gz FAIIAJUUIJAIQB-IYWMVGAKSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048590589 1347609641 /nfs/dbraw/zinc/60/96/41/1347609641.db2.gz PEACTYRUXXPSEK-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)CC[N@@H+]1C ZINC001048608574 1347616960 /nfs/dbraw/zinc/61/69/60/1347616960.db2.gz YLODRYPKMKICSI-LWYYNNOASA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001048615422 1347618980 /nfs/dbraw/zinc/61/89/80/1347618980.db2.gz DXVQLQKLNMXPTH-VAMGGRTRSA-N 2 0 349.563 3.031 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)CC[N@@H+]1C ZINC001048615877 1347619507 /nfs/dbraw/zinc/61/95/07/1347619507.db2.gz NUJURJJMGQEXJO-LEAZDLGRSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049097302 1347724633 /nfs/dbraw/zinc/72/46/33/1347724633.db2.gz JUQWORFRPCNMHH-OTWHNJEPSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514389 1347886407 /nfs/dbraw/zinc/88/64/07/1347886407.db2.gz DLOTWSJPTDNALO-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1)C1CCC1 ZINC001049521964 1347890092 /nfs/dbraw/zinc/89/00/92/1347890092.db2.gz NCZXLPHVHNKGDP-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533036 1347895400 /nfs/dbraw/zinc/89/54/00/1347895400.db2.gz LXFODVMGRSRKIJ-QRVBRYPASA-N 2 0 337.552 3.074 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049573288 1347916296 /nfs/dbraw/zinc/91/62/96/1347916296.db2.gz RRYHABZOZGWEHG-MOPGFXCFSA-N 2 0 340.471 3.059 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049638890 1347948010 /nfs/dbraw/zinc/94/80/10/1347948010.db2.gz NCBQRPOHSWOLLZ-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001049671459 1347965803 /nfs/dbraw/zinc/96/58/03/1347965803.db2.gz LJSUGPPUNPZGMC-OKYOBFRVSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049702597 1347980904 /nfs/dbraw/zinc/98/09/04/1347980904.db2.gz IHDUVGJOCBGRHL-VAMGGRTRSA-N 2 0 347.547 3.138 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC ZINC001049835948 1348049002 /nfs/dbraw/zinc/04/90/02/1348049002.db2.gz MSIBQFPEDQAWNJ-CEXWTWQISA-N 2 0 335.536 3.116 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001049896276 1348098373 /nfs/dbraw/zinc/09/83/73/1348098373.db2.gz MLALKHCMKSICLK-WOJBJXKFSA-N 2 0 347.547 3.118 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049914879 1348109338 /nfs/dbraw/zinc/10/93/38/1348109338.db2.gz RQGRRJNUICMFSP-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001050252612 1348218969 /nfs/dbraw/zinc/21/89/69/1348218969.db2.gz ORNZKTXZHYZQNA-UHFFFAOYSA-N 2 0 339.483 3.130 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001050272099 1348224697 /nfs/dbraw/zinc/22/46/97/1348224697.db2.gz CNJQNSCDZVYRMW-JXFKEZNVSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001050302077 1348227793 /nfs/dbraw/zinc/22/77/93/1348227793.db2.gz AUVUXDKAKSSFJW-QGZVKYPTSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050333531 1348229564 /nfs/dbraw/zinc/22/95/64/1348229564.db2.gz XLBGJRBGYJIZNW-VAMGGRTRSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050339775 1348231831 /nfs/dbraw/zinc/23/18/31/1348231831.db2.gz VAYGVOCNCKSUTF-UFYCRDLUSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001050385942 1348246622 /nfs/dbraw/zinc/24/66/22/1348246622.db2.gz CFNWEHDFBSFATO-UFYCRDLUSA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050689857 1348328441 /nfs/dbraw/zinc/32/84/41/1348328441.db2.gz NUDOSNPWCFFPTL-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378989 1348536434 /nfs/dbraw/zinc/53/64/34/1348536434.db2.gz ZKCYCSXUQYEHRQ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381483 1348536633 /nfs/dbraw/zinc/53/66/33/1348536633.db2.gz RTMBSMNCVAPVJS-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001052620183 1348598038 /nfs/dbraw/zinc/59/80/38/1348598038.db2.gz NNCFENSWXWLAQP-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCCC3)CC2)C1 ZINC001052651347 1348613732 /nfs/dbraw/zinc/61/37/32/1348613732.db2.gz GNOONDWCJKVGBG-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052712897 1348645226 /nfs/dbraw/zinc/64/52/26/1348645226.db2.gz PKLHFIMIDFGZAE-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052713450 1348645336 /nfs/dbraw/zinc/64/53/36/1348645336.db2.gz XNRBFJPHAULENL-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819404 1348689275 /nfs/dbraw/zinc/68/92/75/1348689275.db2.gz FMBLTUJYBSNFNF-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC001052820172 1348689711 /nfs/dbraw/zinc/68/97/11/1348689711.db2.gz MQYAYDXYOFOKHB-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC)CC1 ZINC001052860427 1348705681 /nfs/dbraw/zinc/70/56/81/1348705681.db2.gz TZUMSYAZCVVVKI-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044573 1348845053 /nfs/dbraw/zinc/84/50/53/1348845053.db2.gz QEBMWTSLCKFQIZ-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046364 1348848241 /nfs/dbraw/zinc/84/82/41/1348848241.db2.gz JMWMHTDLLIDSHC-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053097131 1348928216 /nfs/dbraw/zinc/92/82/16/1348928216.db2.gz CMVSZCDBEZSJMN-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174010 1349175568 /nfs/dbraw/zinc/17/55/68/1349175568.db2.gz JCLIWTKBJKOBLL-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219553 1349216415 /nfs/dbraw/zinc/21/64/15/1349216415.db2.gz QFSRLNWPWINXLA-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245202 1349239004 /nfs/dbraw/zinc/23/90/04/1349239004.db2.gz PSYANUNTUDZUDY-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)c3ccn4c[nH+]cc4c3)cc2C1 ZINC001054272731 1349271990 /nfs/dbraw/zinc/27/19/90/1349271990.db2.gz AQOKRPDVJBHQPC-UHFFFAOYSA-N 2 0 348.450 3.236 20 0 EGADRP CCOc1cc(C[N@H+](CC)C2CC[NH2+]CC2)ccc1Br ZINC001235762956 1376890176 /nfs/dbraw/zinc/89/01/76/1376890176.db2.gz XMUOLTGJPKLYGN-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667379 1357718544 /nfs/dbraw/zinc/71/85/44/1357718544.db2.gz AYACGSAYTZJGFS-UYAOXDASSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082741086 1358085893 /nfs/dbraw/zinc/08/58/93/1358085893.db2.gz PBBYZSBQDLYDJT-ZHALLVOQSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1)c1ccccc1 ZINC001183138505 1387268678 /nfs/dbraw/zinc/26/86/78/1387268678.db2.gz XDPFFSCHJNXITF-SLYNCCJLSA-N 2 0 345.531 3.162 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627373 1354811134 /nfs/dbraw/zinc/81/11/34/1354811134.db2.gz DRZUGJJJJRHDON-HOCLYGCPSA-N 2 0 328.460 3.026 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001071735040 1354887092 /nfs/dbraw/zinc/88/70/92/1354887092.db2.gz FGBXTMWFFCRIDQ-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC(C)(C)C)C2)CC1 ZINC001071919874 1355024511 /nfs/dbraw/zinc/02/45/11/1355024511.db2.gz JLPVINQVDQBDQM-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095772 1355127206 /nfs/dbraw/zinc/12/72/06/1355127206.db2.gz OCCWJYKKFLCVAI-PXNSSMCTSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001072334516 1355243966 /nfs/dbraw/zinc/24/39/66/1355243966.db2.gz CKLSYNYXWYDIJZ-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001072793885 1355441469 /nfs/dbraw/zinc/44/14/69/1355441469.db2.gz ZNFGLPALWTYINQ-OAHLLOKOSA-N 2 0 349.544 3.004 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)C1 ZINC001073125681 1355610312 /nfs/dbraw/zinc/61/03/12/1355610312.db2.gz FDVOQSOXBVHPCH-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCC2)C1 ZINC001074023727 1356040258 /nfs/dbraw/zinc/04/02/58/1356040258.db2.gz CPVRTMZWTRQANH-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001074053597 1356057256 /nfs/dbraw/zinc/05/72/56/1356057256.db2.gz ZOUZQTAMXWUPIH-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001074100125 1356083504 /nfs/dbraw/zinc/08/35/04/1356083504.db2.gz RXXFZPLZZAZXNS-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001074100126 1356083986 /nfs/dbraw/zinc/08/39/86/1356083986.db2.gz RXXFZPLZZAZXNS-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC001074649445 1356220815 /nfs/dbraw/zinc/22/08/15/1356220815.db2.gz YMRIASRSGFQYEJ-YSIASYRMSA-N 2 0 347.547 3.329 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074693786 1356224555 /nfs/dbraw/zinc/22/45/55/1356224555.db2.gz SIQJROQEFKDKSY-SXLOBPIMSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074826015 1356256779 /nfs/dbraw/zinc/25/67/79/1356256779.db2.gz RNFHIOLDRLJQIL-SXLOBPIMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448157 1356380921 /nfs/dbraw/zinc/38/09/21/1356380921.db2.gz PKGOUZFUIGUOED-AZUAARDMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001075461464 1356394923 /nfs/dbraw/zinc/39/49/23/1356394923.db2.gz HWDLKAVDDORUCJ-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183256548 1387287051 /nfs/dbraw/zinc/28/70/51/1387287051.db2.gz YTSQRMGRIOKWRS-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[C@H](C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC001183366116 1387303759 /nfs/dbraw/zinc/30/37/59/1387303759.db2.gz NIXUMIIXMQNWKC-ZHALLVOQSA-N 2 0 349.494 3.010 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082570805 1358057860 /nfs/dbraw/zinc/05/78/60/1358057860.db2.gz ZKIPIHGSAKCDCS-YZGWKJHDSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001183509280 1387315215 /nfs/dbraw/zinc/31/52/15/1387315215.db2.gz GNRBNSYEOXRRML-DYESRHJHSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCC2)CC[N@@H+]1C ZINC001085310764 1358462202 /nfs/dbraw/zinc/46/22/02/1358462202.db2.gz OHWUDPDRKPZTQF-IJXRJRJASA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC001085352596 1358476412 /nfs/dbraw/zinc/47/64/12/1358476412.db2.gz OIRVAWXCTDQCJV-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001085421502 1358495682 /nfs/dbraw/zinc/49/56/82/1358495682.db2.gz HNKRXUUTLVFABB-XUVXKRRUSA-N 2 0 343.515 3.251 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085638841 1358652983 /nfs/dbraw/zinc/65/29/83/1358652983.db2.gz BSKBECCNEAZCHF-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001085901760 1358859955 /nfs/dbraw/zinc/85/99/55/1358859955.db2.gz MBVNCFMXHRUTBM-SFHVURJKSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086122388 1359002448 /nfs/dbraw/zinc/00/24/48/1359002448.db2.gz IZIFATPUVXVUOD-XSYGEPLQSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086134212 1359005447 /nfs/dbraw/zinc/00/54/47/1359005447.db2.gz VRTGUVKOGMWWAP-ZCNNSNEGSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001086243709 1359040123 /nfs/dbraw/zinc/04/01/23/1359040123.db2.gz XSUKEMKRXXMHJZ-PUZFROQSSA-N 2 0 347.547 3.092 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001086403187 1359088730 /nfs/dbraw/zinc/08/87/30/1359088730.db2.gz ZECLESJSAFSQRG-FRYIKTPZSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001086466549 1359107963 /nfs/dbraw/zinc/10/79/63/1359107963.db2.gz IWOHHYFETQHJBS-SOAMZJECSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086734923 1359193578 /nfs/dbraw/zinc/19/35/78/1359193578.db2.gz YXPQRMVYIXLSLL-XUVXKRRUSA-N 2 0 347.547 3.236 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001086743687 1359193785 /nfs/dbraw/zinc/19/37/85/1359193785.db2.gz DTORLCALALAEHD-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001086786272 1359201124 /nfs/dbraw/zinc/20/11/24/1359201124.db2.gz SEMFZZLBJRMICU-FRYIKTPZSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086882709 1359220589 /nfs/dbraw/zinc/22/05/89/1359220589.db2.gz HBDYFBKZGUZHRS-XUVXKRRUSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CCC(C)C)CC2)[NH+](C)C ZINC001086929264 1359253856 /nfs/dbraw/zinc/25/38/56/1359253856.db2.gz BMTGQOLWLBSYFI-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001087166468 1359312325 /nfs/dbraw/zinc/31/23/25/1359312325.db2.gz PVQUMZUHTOUETG-HBFSDRIKSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCC2)C1 ZINC001087204056 1359320849 /nfs/dbraw/zinc/32/08/49/1359320849.db2.gz GMMAXLKKUQTTTJ-HOJAQTOUSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001087212742 1359323071 /nfs/dbraw/zinc/32/30/71/1359323071.db2.gz OJVKFWKIVNRZHG-AOIWGVFYSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087222735 1359325569 /nfs/dbraw/zinc/32/55/69/1359325569.db2.gz QHGYHCKSZYIJDL-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CC(C)C1 ZINC001087572303 1359537372 /nfs/dbraw/zinc/53/73/72/1359537372.db2.gz LUEBNDDWYCVECF-WZOJCFFYSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC1CC1 ZINC001087573127 1359537971 /nfs/dbraw/zinc/53/79/71/1359537971.db2.gz UTNKENGNRYSDTH-YZGWKJHDSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1CC ZINC001087593753 1359547454 /nfs/dbraw/zinc/54/74/54/1359547454.db2.gz UWMJPFFNPWBMJG-RCCFBDPRSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCC1CCCC1 ZINC001087701798 1359599265 /nfs/dbraw/zinc/59/92/65/1359599265.db2.gz NPCWYJYMCYOUQB-FRYIKTPZSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762679 1359632172 /nfs/dbraw/zinc/63/21/72/1359632172.db2.gz HRFWUVJWKNTRAY-FFZOFVMBSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087780913 1359641354 /nfs/dbraw/zinc/64/13/54/1359641354.db2.gz HKHACMQQWHNFNP-YTQUADARSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001087828359 1359666892 /nfs/dbraw/zinc/66/68/92/1359666892.db2.gz JBRYCWSZIJBAQI-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CC1CCCC1 ZINC001087840755 1359674931 /nfs/dbraw/zinc/67/49/31/1359674931.db2.gz MODIOWAWWYDGKA-IPMKNSEASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001088327099 1359831807 /nfs/dbraw/zinc/83/18/07/1359831807.db2.gz FZHIZZZJTOWHPH-KRWDZBQOSA-N 2 0 349.544 3.093 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001088367371 1359851702 /nfs/dbraw/zinc/85/17/02/1359851702.db2.gz IJYQKAGWQPIUJB-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088413372 1359884237 /nfs/dbraw/zinc/88/42/37/1359884237.db2.gz DRUOIMOAQGJAEI-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430024 1359897635 /nfs/dbraw/zinc/89/76/35/1359897635.db2.gz GDBOJDWXEBMVLV-SFHVURJKSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088621383 1359993583 /nfs/dbraw/zinc/99/35/83/1359993583.db2.gz BQPQWKVDELDKDN-SQNIBIBYSA-N 2 0 337.552 3.265 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC1CCCC1 ZINC001088922307 1360104305 /nfs/dbraw/zinc/10/43/05/1360104305.db2.gz DRAQAMGBUSMVLU-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCCC1 ZINC001089038472 1360144045 /nfs/dbraw/zinc/14/40/45/1360144045.db2.gz XQQOCISEXKSWLL-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001089261854 1360290342 /nfs/dbraw/zinc/29/03/42/1360290342.db2.gz RPTCMVCJNGKVTR-ICSRJNTNSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001184411600 1387452333 /nfs/dbraw/zinc/45/23/33/1387452333.db2.gz FJKHVPGGJJWLPZ-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430861 1360422905 /nfs/dbraw/zinc/42/29/05/1360422905.db2.gz VRYDYOLBWBTLBY-GOSISDBHSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473576 1360456997 /nfs/dbraw/zinc/45/69/97/1360456997.db2.gz ZAUPUZFLOZJVCQ-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473579 1360457175 /nfs/dbraw/zinc/45/71/75/1360457175.db2.gz ZAUPUZFLOZJVCQ-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487141 1360467276 /nfs/dbraw/zinc/46/72/76/1360467276.db2.gz HWOOAYNZFJWVMY-SFHVURJKSA-N 2 0 349.563 3.291 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)CC1 ZINC001089527387 1360490783 /nfs/dbraw/zinc/49/07/83/1360490783.db2.gz OETOMMLDWWISRI-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)CC(C)(C)C2)C1 ZINC001089563814 1360510508 /nfs/dbraw/zinc/51/05/08/1360510508.db2.gz UKNYQSVVXCYETH-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC)CC(C)(C)C2)o1 ZINC001089565095 1360511780 /nfs/dbraw/zinc/51/17/80/1360511780.db2.gz MWJVJEHUZSWEAJ-INIZCTEOSA-N 2 0 349.519 3.362 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC(C)(C)C1 ZINC001089616987 1360537282 /nfs/dbraw/zinc/53/72/82/1360537282.db2.gz QQPQIBLMGAPYRB-ROUUACIJSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089685628 1360591212 /nfs/dbraw/zinc/59/12/12/1360591212.db2.gz FPWFUGZKZUVUBF-GBESFXJTSA-N 2 0 349.563 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091059262 1360987536 /nfs/dbraw/zinc/98/75/36/1360987536.db2.gz JXHZHDBFMZLBQL-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091377782 1361068763 /nfs/dbraw/zinc/06/87/63/1361068763.db2.gz AEHYXCADCNLQLF-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910136 1361243320 /nfs/dbraw/zinc/24/33/20/1361243320.db2.gz KCJRFTJDHXUSDW-UTKZUKDTSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC=C(C)C)CC3)CC[N@@H+]1C ZINC001094421159 1361794557 /nfs/dbraw/zinc/79/45/57/1361794557.db2.gz QUNCFFJXCMNOJB-QEUVDIPISA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184892954 1387557589 /nfs/dbraw/zinc/55/75/89/1387557589.db2.gz SWHMAGJBXZTURG-MOPGFXCFSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001095530483 1362162474 /nfs/dbraw/zinc/16/24/74/1362162474.db2.gz OBXIIMBDTBEAJD-YRXWBPOGSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533709 1362163539 /nfs/dbraw/zinc/16/35/39/1362163539.db2.gz KMPRMUHLEYIUJR-FUMNGEBKSA-N 2 0 345.531 3.081 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210614 1362886874 /nfs/dbraw/zinc/88/68/74/1362886874.db2.gz ZMWHPMPMUNHOQW-NMLBUPMWSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099060623 1363600968 /nfs/dbraw/zinc/60/09/68/1363600968.db2.gz BEADJOMATSNTNG-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106461 1363625016 /nfs/dbraw/zinc/62/50/16/1363625016.db2.gz GKROLWRWZVMJQR-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099130196 1363641334 /nfs/dbraw/zinc/64/13/34/1363641334.db2.gz HJPNJWQHQHFDTQ-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130585 1363643099 /nfs/dbraw/zinc/64/30/99/1363643099.db2.gz PNDODULSECOXCU-DLBZAZTESA-N 2 0 339.568 3.370 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099200021 1363689070 /nfs/dbraw/zinc/68/90/70/1363689070.db2.gz VFWNFGWSYAVFAY-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215367 1363696589 /nfs/dbraw/zinc/69/65/89/1363696589.db2.gz UCUAAPNDJAGICI-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCCCF)[NH+](C)C ZINC001099239815 1363708693 /nfs/dbraw/zinc/70/86/93/1363708693.db2.gz KWBLATAKUSIEHW-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099239653 1363708714 /nfs/dbraw/zinc/70/87/14/1363708714.db2.gz IKMAIDYDYQFZHR-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099241318 1363709837 /nfs/dbraw/zinc/70/98/37/1363709837.db2.gz YLXIFUPEWFRFHQ-WBNOOXNUSA-N 2 0 337.552 3.290 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C[C@@H](F)CC ZINC001099320973 1363748222 /nfs/dbraw/zinc/74/82/22/1363748222.db2.gz NIHOVTWLFSXCFN-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC[C@H](C)F ZINC001099320362 1363748639 /nfs/dbraw/zinc/74/86/39/1363748639.db2.gz ITYCCSIYSSPHEU-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[N@H+](CC2CC2)C1 ZINC001099373897 1363778284 /nfs/dbraw/zinc/77/82/84/1363778284.db2.gz ZATKQPGKWAUFOV-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001099446298 1363801408 /nfs/dbraw/zinc/80/14/08/1363801408.db2.gz LJGQKFHYOZIKGN-DSKINZAPSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099548610 1363842014 /nfs/dbraw/zinc/84/20/14/1363842014.db2.gz YGJKHHYDICINHG-MUGJNUQGSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551612 1363844463 /nfs/dbraw/zinc/84/44/63/1363844463.db2.gz ACRPRNQPBBIRAW-YRPNKDGESA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001185200377 1387647070 /nfs/dbraw/zinc/64/70/70/1387647070.db2.gz WBZDVYJWSLNLDZ-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403026 1364103591 /nfs/dbraw/zinc/10/35/91/1364103591.db2.gz BKGBZMKIHFDPRD-IVSRKEGNSA-N 2 0 349.563 3.195 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1)C1CC1 ZINC001100408109 1364104653 /nfs/dbraw/zinc/10/46/53/1364104653.db2.gz VKLDOPLFKCHRRO-UUKMXZOPSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468949 1364126300 /nfs/dbraw/zinc/12/63/00/1364126300.db2.gz YVIPCKMSFMDUCR-UHFFFAOYSA-N 2 0 337.552 3.170 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001100606657 1364187154 /nfs/dbraw/zinc/18/71/54/1364187154.db2.gz PXXLJQKELSYYLB-NALMEZQBSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001100731886 1364239338 /nfs/dbraw/zinc/23/93/38/1364239338.db2.gz KKLZEFTYHAZTHT-KKXNLOMOSA-N 2 0 349.563 3.316 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)CC1 ZINC001100785692 1364261510 /nfs/dbraw/zinc/26/15/10/1364261510.db2.gz WYXGTBLORNCYHU-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001100849939 1364291024 /nfs/dbraw/zinc/29/10/24/1364291024.db2.gz GVGHGDNRCYQHAJ-UHFFFAOYSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC1CC([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001100858391 1364295398 /nfs/dbraw/zinc/29/53/98/1364295398.db2.gz SQDJHDDSPQZLPZ-UUKMXZOPSA-N 2 0 343.515 3.130 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100890149 1364314833 /nfs/dbraw/zinc/31/48/33/1364314833.db2.gz NVWWADDYPHAMPZ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001100896637 1364319814 /nfs/dbraw/zinc/31/98/14/1364319814.db2.gz BRXILDPURICCJM-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001101036348 1364383863 /nfs/dbraw/zinc/38/38/63/1364383863.db2.gz NXWAQDJNCNYJAJ-MHJFOBGBSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001101060130 1364395972 /nfs/dbraw/zinc/39/59/72/1364395972.db2.gz NUOKZSVPJDHGAZ-UHFFFAOYSA-N 2 0 335.492 3.020 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101354159 1364523988 /nfs/dbraw/zinc/52/39/88/1364523988.db2.gz UDPAJDLTVKJOIU-USJSNYOKSA-N 2 0 349.563 3.099 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001101413578 1364551813 /nfs/dbraw/zinc/55/18/13/1364551813.db2.gz SNNRBWBNQCOJAG-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101475280 1364575659 /nfs/dbraw/zinc/57/56/59/1364575659.db2.gz WKWWSQUUPBRLJB-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541408 1364607451 /nfs/dbraw/zinc/60/74/51/1364607451.db2.gz DHGFRJVAHVHRDX-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC(C(C)(C)C[NH2+]C[C@@H](C)CC)CC1)[NH+](C)C ZINC001101550491 1364613552 /nfs/dbraw/zinc/61/35/52/1364613552.db2.gz LMEQXERPGAUJRG-FUHWJXTLSA-N 2 0 339.568 3.227 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CCC2)CC1 ZINC001101551573 1364614573 /nfs/dbraw/zinc/61/45/73/1364614573.db2.gz QRGRZTYIEHDRBD-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001101568222 1364624163 /nfs/dbraw/zinc/62/41/63/1364624163.db2.gz TULRPOFSSGALSE-UHFFFAOYSA-N 2 0 349.519 3.218 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001101574022 1364628196 /nfs/dbraw/zinc/62/81/96/1364628196.db2.gz NRIMUNPAPJZDAY-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001101583467 1364635419 /nfs/dbraw/zinc/63/54/19/1364635419.db2.gz ZNFDUOLKKZRCOF-KRWDZBQOSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001101596093 1364646726 /nfs/dbraw/zinc/64/67/26/1364646726.db2.gz IUFHEPIQPIIMDQ-CALCHBBNSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974586 1364795745 /nfs/dbraw/zinc/79/57/45/1364795745.db2.gz GLFOGABTZZAZLA-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357768 1365020766 /nfs/dbraw/zinc/02/07/66/1365020766.db2.gz IOSNXSACBLTZIV-LEJUBNGFSA-N 2 0 337.552 3.147 20 0 EGADRP CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102508681 1365092900 /nfs/dbraw/zinc/09/29/00/1365092900.db2.gz CSYVZNQQUYGNOQ-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103060486 1365359356 /nfs/dbraw/zinc/35/93/56/1365359356.db2.gz OTPJAXQFIAJWEB-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103300 1365382011 /nfs/dbraw/zinc/38/20/11/1365382011.db2.gz CGCGIOKTLSDZEP-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185723 1365425258 /nfs/dbraw/zinc/42/52/58/1365425258.db2.gz MSUQSYOCGSRUPS-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271427 1365465580 /nfs/dbraw/zinc/46/55/80/1365465580.db2.gz NTRABSNGTLTLFN-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185550185 1387745955 /nfs/dbraw/zinc/74/59/55/1387745955.db2.gz TZECZZDWUODHDN-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001185548161 1387745312 /nfs/dbraw/zinc/74/53/12/1387745312.db2.gz KJFJVBIKJLURMW-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185550531 1387746142 /nfs/dbraw/zinc/74/61/42/1387746142.db2.gz UGAOCVPDKPVWNU-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360397 1365517498 /nfs/dbraw/zinc/51/74/98/1365517498.db2.gz CBAXIPRHJNGONM-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001103433973 1365557513 /nfs/dbraw/zinc/55/75/13/1365557513.db2.gz PXDMMXOJKXQURA-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497751 1365597961 /nfs/dbraw/zinc/59/79/61/1365597961.db2.gz XKDFYTKAQIXZIK-WYTZPYIFSA-N 2 0 349.563 3.149 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001103612700 1365675786 /nfs/dbraw/zinc/67/57/86/1365675786.db2.gz QDFAPGJAVFQXBJ-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773672 1365777267 /nfs/dbraw/zinc/77/72/67/1365777267.db2.gz KTGXSVKWFQSOAW-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001185679241 1387775278 /nfs/dbraw/zinc/77/52/78/1387775278.db2.gz AXMYQRIPHVOKRU-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196347 1365947880 /nfs/dbraw/zinc/94/78/80/1365947880.db2.gz SODRRUGGCDPYAK-GUDVDZBRSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104452302 1366033787 /nfs/dbraw/zinc/03/37/87/1366033787.db2.gz ICPDITLMFSAAPS-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599844 1366096011 /nfs/dbraw/zinc/09/60/11/1366096011.db2.gz IAKBXBTTWPYERC-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185743435 1387788395 /nfs/dbraw/zinc/78/83/95/1387788395.db2.gz ZSEHJUIDBQSGQO-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001104937504 1366231277 /nfs/dbraw/zinc/23/12/77/1366231277.db2.gz BHIKTFCHOBZWHX-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395589 1366443957 /nfs/dbraw/zinc/44/39/57/1366443957.db2.gz APOFHJAAUKYEER-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396202 1366444530 /nfs/dbraw/zinc/44/45/30/1366444530.db2.gz JLFRKZSNNXYTTL-PXNSSMCTSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518300 1366505414 /nfs/dbraw/zinc/50/54/14/1366505414.db2.gz WFBWLPRLCSJKND-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105541596 1366520150 /nfs/dbraw/zinc/52/01/50/1366520150.db2.gz FDMXXBSDXUKDSV-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC(C)C)CCC1)[NH+](C)C ZINC001105544404 1366521761 /nfs/dbraw/zinc/52/17/61/1366521761.db2.gz IYJCWPHUKNAFBF-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)CCC1 ZINC001105549502 1366525102 /nfs/dbraw/zinc/52/51/02/1366525102.db2.gz MXTMPLKYELZVFW-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CC)CCC2)C1 ZINC001105556952 1366529827 /nfs/dbraw/zinc/52/98/27/1366529827.db2.gz TUTHJWDSHNLIGD-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1)[NH+](C)C ZINC001105566725 1366535248 /nfs/dbraw/zinc/53/52/48/1366535248.db2.gz SYWBOAKRFMSERM-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001105568014 1366535869 /nfs/dbraw/zinc/53/58/69/1366535869.db2.gz CXIFORWYZWLWIR-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1)[NH+](C)C ZINC001106282091 1366642836 /nfs/dbraw/zinc/64/28/36/1366642836.db2.gz TXCIYYDAUILXCA-RLLQIKCJSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001106350090 1366664847 /nfs/dbraw/zinc/66/48/47/1366664847.db2.gz XPOXILROXHYXMH-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1)[NH+](CC)CC ZINC001106660354 1366768019 /nfs/dbraw/zinc/76/80/19/1366768019.db2.gz KFZGRQBKKWRAMF-KZNAEPCWSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106779616 1366795879 /nfs/dbraw/zinc/79/58/79/1366795879.db2.gz SWXSVRSBOFKSPJ-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106910710 1366830594 /nfs/dbraw/zinc/83/05/94/1366830594.db2.gz KZBHYNJXXWJDOS-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001107037232 1366862514 /nfs/dbraw/zinc/86/25/14/1366862514.db2.gz XWLBCHMBAMMNAU-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037560 1366862610 /nfs/dbraw/zinc/86/26/10/1366862610.db2.gz RKJGNBAJAAQGOM-VAMGGRTRSA-N 2 0 349.563 3.147 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001107442674 1366964975 /nfs/dbraw/zinc/96/49/75/1366964975.db2.gz JHBPSRQDKDMLCO-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1=CCCCC1)CC2)[NH+](C)C ZINC001107450475 1366968268 /nfs/dbraw/zinc/96/82/68/1366968268.db2.gz IIJPWYXEFCZILX-SFHLNBCPSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107488403 1366989945 /nfs/dbraw/zinc/98/99/45/1366989945.db2.gz GZHQIRZSRVWAIF-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@]2(C)CCC[N@H+](CC3CC3)C2)CCCCC1 ZINC001324947973 1387844087 /nfs/dbraw/zinc/84/40/87/1387844087.db2.gz NRQKCNULZODAPJ-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1=CCCCC1)CC2 ZINC001107583304 1367056798 /nfs/dbraw/zinc/05/67/98/1367056798.db2.gz VWRQSXIOVHYIAT-TZIWHRDSSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643280 1367089426 /nfs/dbraw/zinc/08/94/26/1367089426.db2.gz FLCMZQAKXUTLHB-SFHLNBCPSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001107646066 1367090015 /nfs/dbraw/zinc/09/00/15/1367090015.db2.gz AOLDGBLMUNLYGC-WIYYLYMNSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396404 1367102937 /nfs/dbraw/zinc/10/29/37/1367102937.db2.gz DIVXOTLZOHXPRJ-DIYYGHKSSA-N 2 0 347.547 3.042 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177135 1367191912 /nfs/dbraw/zinc/19/19/12/1367191912.db2.gz PPQJGSSHAMAUNC-HPFMTEOYSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213069 1367200700 /nfs/dbraw/zinc/20/07/00/1367200700.db2.gz UULVBOMPGXOXJI-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001186081926 1387862176 /nfs/dbraw/zinc/86/21/76/1387862176.db2.gz FMUFRAMYZYVGTH-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001186083193 1387862207 /nfs/dbraw/zinc/86/22/07/1387862207.db2.gz VBYNNHCWAZAGHN-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1)CC(C)(C)C ZINC001109724198 1367293651 /nfs/dbraw/zinc/29/36/51/1367293651.db2.gz GUKCLEJZDQBARW-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191049920 1367410235 /nfs/dbraw/zinc/41/02/35/1367410235.db2.gz CUUSMCUIUNMQKJ-LJQANCHMSA-N 2 0 346.519 3.021 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082183 1367420543 /nfs/dbraw/zinc/42/05/43/1367420543.db2.gz VFOOIQWJZVUBCB-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001110147983 1367526114 /nfs/dbraw/zinc/52/61/14/1367526114.db2.gz BSYQQMUUMBXMJY-AABGKKOBSA-N 2 0 345.531 3.084 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149347 1367526323 /nfs/dbraw/zinc/52/63/23/1367526323.db2.gz CWKNZPASWVKXAX-QYZOEREBSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@H+](C)CC3=CCCCC3)C2)CCCC1 ZINC001191561418 1367528395 /nfs/dbraw/zinc/52/83/95/1367528395.db2.gz MIVABZTYVJXZCF-IBGZPJMESA-N 2 0 347.547 3.284 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188603 1367556158 /nfs/dbraw/zinc/55/61/58/1367556158.db2.gz IQQFECNABYLACO-HBPFPQFOSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834675 1367627110 /nfs/dbraw/zinc/62/71/10/1367627110.db2.gz YNNHDFFOGZFSKY-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001192046708 1367673760 /nfs/dbraw/zinc/67/37/60/1367673760.db2.gz OWFQYGJBVXSQPI-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001192324883 1367752187 /nfs/dbraw/zinc/75/21/87/1367752187.db2.gz ISHCLQFENNUBSD-ZWKOTPCHSA-N 2 0 339.568 3.466 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1)[NH+](CC)CC ZINC001192325062 1367752492 /nfs/dbraw/zinc/75/24/92/1367752492.db2.gz JRPGDJNOLWNUNU-PMACEKPBSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001192324876 1367752573 /nfs/dbraw/zinc/75/25/73/1367752573.db2.gz ISHCLQFENNUBSD-QZTJIDSGSA-N 2 0 339.568 3.466 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001192656408 1367843995 /nfs/dbraw/zinc/84/39/95/1367843995.db2.gz RZZTZJAZQFSNQW-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192672629 1367847649 /nfs/dbraw/zinc/84/76/49/1367847649.db2.gz WDERMLBRJXQNSQ-ROUUACIJSA-N 2 0 337.552 3.218 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680414 1367848492 /nfs/dbraw/zinc/84/84/92/1367848492.db2.gz QHRYIKDUZWBVHW-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917019 1367903966 /nfs/dbraw/zinc/90/39/66/1367903966.db2.gz HRFYPOPQYNQBBM-ZWKOTPCHSA-N 2 0 325.541 3.076 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001192969546 1367912963 /nfs/dbraw/zinc/91/29/63/1367912963.db2.gz KRQIYYYKPWIREV-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001110683284 1367925278 /nfs/dbraw/zinc/92/52/78/1367925278.db2.gz YDGGLVHNKIOJRP-WTGUMLROSA-N 2 0 347.547 3.163 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)CC)C2)cc1 ZINC001193291208 1367990844 /nfs/dbraw/zinc/99/08/44/1367990844.db2.gz FYNXZTKWMJDEGU-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857916 1368038530 /nfs/dbraw/zinc/03/85/30/1368038530.db2.gz WXBDEVGDYXTSEW-QRVBRYPASA-N 2 0 335.536 3.163 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885937 1368059713 /nfs/dbraw/zinc/05/97/13/1368059713.db2.gz DLEKQDOYULPUQS-IWOQZAADSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C(C)C)C1 ZINC001193643359 1368082489 /nfs/dbraw/zinc/08/24/89/1368082489.db2.gz SURPZZMPWSYEJP-IBGZPJMESA-N 2 0 345.531 3.185 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)CC1 ZINC001110954703 1368121255 /nfs/dbraw/zinc/12/12/55/1368121255.db2.gz VMGWBIBKKUALOL-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001111018267 1368144233 /nfs/dbraw/zinc/14/42/33/1368144233.db2.gz OOQMGPSCDOHQDI-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C)C(C)C ZINC001111164017 1368173981 /nfs/dbraw/zinc/17/39/81/1368173981.db2.gz FANSBDUDUFFZRX-YRXWBPOGSA-N 2 0 335.536 3.041 20 0 EGADRP CC1CCC(C[N@H+](C)[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001194229624 1368213109 /nfs/dbraw/zinc/21/31/09/1368213109.db2.gz ZABLXLLTZJKGFY-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001194245526 1368216782 /nfs/dbraw/zinc/21/67/82/1368216782.db2.gz BTSIPAILXSIIMJ-SFHVURJKSA-N 2 0 349.494 3.034 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274437 1368221992 /nfs/dbraw/zinc/22/19/92/1368221992.db2.gz HULUXNHTDDTRSH-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275184 1368222864 /nfs/dbraw/zinc/22/28/64/1368222864.db2.gz PSOWOMCBUZSJSB-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCC(C)C)C2)o1 ZINC001194407082 1368254899 /nfs/dbraw/zinc/25/48/99/1368254899.db2.gz HDPFNXOXJADVRS-KRWDZBQOSA-N 2 0 349.519 3.314 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419903 1368257673 /nfs/dbraw/zinc/25/76/73/1368257673.db2.gz KRFXZPRUHCZYNI-FQEVSTJZSA-N 2 0 347.547 3.286 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001111298624 1368258514 /nfs/dbraw/zinc/25/85/14/1368258514.db2.gz IBRRMSOSCSPEFF-AQNXPRMDSA-N 2 0 347.547 3.330 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111458532 1368309810 /nfs/dbraw/zinc/30/98/10/1368309810.db2.gz DHFYNGRSQNCMEW-GESBFJBKSA-N 2 0 347.547 3.330 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467443 1368312169 /nfs/dbraw/zinc/31/21/69/1368312169.db2.gz JDDUXVJCOBUNQP-MVUOPPMJSA-N 2 0 347.547 3.185 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467509 1368312278 /nfs/dbraw/zinc/31/22/78/1368312278.db2.gz LTTFFBVZTYAXOH-ZRNYENFQSA-N 2 0 349.563 3.265 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001111494612 1368321549 /nfs/dbraw/zinc/32/15/49/1368321549.db2.gz YLGOUSDGQSKFCE-AQNXPRMDSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC001325319096 1387933216 /nfs/dbraw/zinc/93/32/16/1387933216.db2.gz KOEKHZQYBDIGAA-OAHLLOKOSA-N 2 0 328.456 3.458 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740739 1368437661 /nfs/dbraw/zinc/43/76/61/1368437661.db2.gz LWZUMTCSQLRYRX-ZVDOUQERSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)C(C)C ZINC001186427360 1387940662 /nfs/dbraw/zinc/94/06/62/1387940662.db2.gz FJFXEPTXKOCZLZ-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)C)C2)[NH+](CC)CC ZINC001111869759 1368516907 /nfs/dbraw/zinc/51/69/07/1368516907.db2.gz IPJAFVIHVNHMPN-BJLQDIEVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196060508 1368542671 /nfs/dbraw/zinc/54/26/71/1368542671.db2.gz YMCGQJGJLHDILI-LIXSYLKWSA-N 2 0 335.536 3.142 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@H]1C[N@H+](CCC1CC1)C2 ZINC001111987386 1368592505 /nfs/dbraw/zinc/59/25/05/1368592505.db2.gz YWICEDJLORNTNH-FPOVZHCZSA-N 2 0 347.547 3.023 20 0 EGADRP COC[C@H]1CCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001196906658 1368711714 /nfs/dbraw/zinc/71/17/14/1368711714.db2.gz CKAWDUJENOASFZ-OAQYLSRUSA-N 2 0 330.516 3.442 20 0 EGADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001196935381 1368716127 /nfs/dbraw/zinc/71/61/27/1368716127.db2.gz HNRCKKNBMQITQO-LEWJYISDSA-N 2 0 348.506 3.316 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197187296 1368761498 /nfs/dbraw/zinc/76/14/98/1368761498.db2.gz DFCIJPPBEMHZIX-SFHVURJKSA-N 2 0 345.531 3.260 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510527 1368829956 /nfs/dbraw/zinc/82/99/56/1368829956.db2.gz DFZJKNCGHSQHMG-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410824 1368831004 /nfs/dbraw/zinc/83/10/04/1368831004.db2.gz QZDXXWQGZSMREH-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001197794919 1368899325 /nfs/dbraw/zinc/89/93/25/1368899325.db2.gz POESVFFDLLHWLN-IBGZPJMESA-N 2 0 339.568 3.469 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506888 1368906307 /nfs/dbraw/zinc/90/63/07/1368906307.db2.gz KJRHVONSLHETNE-WFXMLNOXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCC)CC2)cc1 ZINC001197914259 1368923524 /nfs/dbraw/zinc/92/35/24/1368923524.db2.gz NQQWIHMCPIPZMD-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001198259068 1368992316 /nfs/dbraw/zinc/99/23/16/1368992316.db2.gz KKNXHLYNQDJDCT-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200829221 1369435157 /nfs/dbraw/zinc/43/51/57/1369435157.db2.gz PSTNYLMLVUQGFT-AWEZNQCLSA-N 2 0 337.533 3.050 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001186748308 1388003889 /nfs/dbraw/zinc/00/38/89/1388003889.db2.gz QMDRGQUQMYSJPV-OAJJDEHYSA-N 2 0 338.455 3.033 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001201229660 1369499814 /nfs/dbraw/zinc/49/98/14/1369499814.db2.gz FPTDGQMBIJOJJP-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201399957 1369536735 /nfs/dbraw/zinc/53/67/35/1369536735.db2.gz LPBFWEVVUFPLGO-ZMBJWTFHSA-N 2 0 335.536 3.044 20 0 EGADRP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001201408215 1369538543 /nfs/dbraw/zinc/53/85/43/1369538543.db2.gz CDAIUYYNCSRNCX-MSOLQXFVSA-N 2 0 334.504 3.082 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[NH+](CCCC2CCCC2)CC1 ZINC001113642913 1369540229 /nfs/dbraw/zinc/54/02/29/1369540229.db2.gz PTKMNHYJKUYRLV-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)(C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001201436267 1369545595 /nfs/dbraw/zinc/54/55/95/1369545595.db2.gz SNPLXUWOIPNWEM-UHFFFAOYSA-N 2 0 331.504 3.042 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113679121 1369562585 /nfs/dbraw/zinc/56/25/85/1369562585.db2.gz CSLGWWDXWRWYBR-HXUWFJFHSA-N 2 0 343.515 3.158 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001186824616 1388011456 /nfs/dbraw/zinc/01/14/56/1388011456.db2.gz BXIUZMBOYXUUGM-YLJYHZDGSA-N 2 0 345.531 3.403 20 0 EGADRP CC(C)CC[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001201620172 1369592149 /nfs/dbraw/zinc/59/21/49/1369592149.db2.gz INYWVRKHEIMSKH-UHFFFAOYSA-N 2 0 331.504 3.042 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(-c4ccccc4)no3)cc[nH+]2)CC1 ZINC001201648150 1369596359 /nfs/dbraw/zinc/59/63/59/1369596359.db2.gz IXOYYQIAXJWISM-UHFFFAOYSA-N 2 0 335.411 3.232 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(F)c(F)c(F)c3F)cc[nH+]2)CC1 ZINC001201665922 1369600737 /nfs/dbraw/zinc/60/07/37/1369600737.db2.gz KNQDJMORSDOTJO-UHFFFAOYSA-N 2 0 340.324 3.133 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001201705777 1369609326 /nfs/dbraw/zinc/60/93/26/1369609326.db2.gz GERYQJVQRFCYES-IBGZPJMESA-N 2 0 331.504 3.185 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201794146 1369625050 /nfs/dbraw/zinc/62/50/50/1369625050.db2.gz SNOXZAKVIDRGOM-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793799 1369625113 /nfs/dbraw/zinc/62/51/13/1369625113.db2.gz MJOSTASMKZZBPT-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001201935445 1369646231 /nfs/dbraw/zinc/64/62/31/1369646231.db2.gz LTMHPYRNVHOXDS-VOTSOKGWSA-N 2 0 335.536 3.188 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001202179511 1369709163 /nfs/dbraw/zinc/70/91/63/1369709163.db2.gz XJUOUZABTNPQMZ-LUNNPTDRSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1)[NH+](CC)CC ZINC001202473317 1369783080 /nfs/dbraw/zinc/78/30/80/1369783080.db2.gz IBRJIQFDYLLSID-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202473103 1369783170 /nfs/dbraw/zinc/78/31/70/1369783170.db2.gz FVXMWRLKZJLVEY-VYENPZKTSA-N 2 0 337.552 3.434 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202771295 1369885592 /nfs/dbraw/zinc/88/55/92/1369885592.db2.gz ALNLVBXIEBWNQS-LJQANCHMSA-N 2 0 337.552 3.410 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202862984 1369911107 /nfs/dbraw/zinc/91/11/07/1369911107.db2.gz HYBJTKIXJWURTF-UHDDOPSISA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202872258 1369913630 /nfs/dbraw/zinc/91/36/30/1369913630.db2.gz CTBZEQKICLBGJD-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1csc(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC001325716610 1388033565 /nfs/dbraw/zinc/03/35/65/1388033565.db2.gz IPCKORXDNUUOQA-QFBILLFUSA-N 2 0 343.496 3.230 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001325743076 1388038822 /nfs/dbraw/zinc/03/88/22/1388038822.db2.gz JFIZOXDFIWQTHE-UZLBHIALSA-N 2 0 335.451 3.432 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203100827 1369983496 /nfs/dbraw/zinc/98/34/96/1369983496.db2.gz ACVWOSOHLUHMBI-ZWKOTPCHSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203204449 1370023612 /nfs/dbraw/zinc/02/36/12/1370023612.db2.gz VGBYSHSDCPCIAE-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001203208913 1370024553 /nfs/dbraw/zinc/02/45/53/1370024553.db2.gz NXHHALSTGJEMSQ-YRNVUSSQSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@@H]([NH2+]CCC3CC3)C23CCC3)CCCC1 ZINC001203229506 1370032434 /nfs/dbraw/zinc/03/24/34/1370032434.db2.gz GLZZRQKJLQSYBV-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCCCC1 ZINC001203248304 1370039267 /nfs/dbraw/zinc/03/92/67/1370039267.db2.gz FHEAZOCZMZDRAM-HXUWFJFHSA-N 2 0 334.504 3.312 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001203357636 1370097034 /nfs/dbraw/zinc/09/70/34/1370097034.db2.gz MDFBLBJREFUALB-LPHOPBHVSA-N 2 0 334.467 3.421 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828833 1370101380 /nfs/dbraw/zinc/10/13/80/1370101380.db2.gz LAPIQOYFNIPEQX-ZGXWSNOMSA-N 2 0 347.547 3.044 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407502 1370114859 /nfs/dbraw/zinc/11/48/59/1370114859.db2.gz NBRUQBKQTWDZPZ-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP COc1ccc2c(Nc3c[nH+]ccc3N3CCOCC3)cc[nH+]c2c1 ZINC001203525164 1370155471 /nfs/dbraw/zinc/15/54/71/1370155471.db2.gz UTIUTXZNRJINHN-UHFFFAOYSA-N 2 0 336.395 3.219 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203576550 1370176756 /nfs/dbraw/zinc/17/67/56/1370176756.db2.gz FYXKCMXHUGXSEE-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203576489 1370176800 /nfs/dbraw/zinc/17/68/00/1370176800.db2.gz DWVKBJWMZPTTRN-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203578167 1370177483 /nfs/dbraw/zinc/17/74/83/1370177483.db2.gz ULWMLONBWOOWDX-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203629933 1370193321 /nfs/dbraw/zinc/19/33/21/1370193321.db2.gz DVXBYMNWVIGYJG-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203630977 1370193924 /nfs/dbraw/zinc/19/39/24/1370193924.db2.gz JMCKDZHWCQZJGA-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203650495 1370201560 /nfs/dbraw/zinc/20/15/60/1370201560.db2.gz HYYDLZDJZMBBNN-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203741519 1370244554 /nfs/dbraw/zinc/24/45/54/1370244554.db2.gz HDVRBXCCJWGTGV-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203744026 1370245708 /nfs/dbraw/zinc/24/57/08/1370245708.db2.gz WSZAWUARBNOABU-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203781793 1370261123 /nfs/dbraw/zinc/26/11/23/1370261123.db2.gz LBSLGPPNIISGJM-RTBURBONSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904345 1370308568 /nfs/dbraw/zinc/30/85/68/1370308568.db2.gz SQMDNORYMRFONG-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904375 1370308850 /nfs/dbraw/zinc/30/88/50/1370308850.db2.gz UFONVKDGUMGQMM-RRFGBZISSA-N 2 0 349.563 3.434 20 0 EGADRP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](Cc1c[nH]c3ccccc13)CC2 ZINC001204043818 1370358438 /nfs/dbraw/zinc/35/84/38/1370358438.db2.gz FFSUJOAYXAEFHF-UHFFFAOYSA-N 2 0 349.482 3.019 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001187202075 1388070591 /nfs/dbraw/zinc/07/05/91/1388070591.db2.gz RAROWTNIJAVHLY-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC1(F)F ZINC001204262942 1370425369 /nfs/dbraw/zinc/42/53/69/1370425369.db2.gz BXARKAPTHUJASY-HNNXBMFYSA-N 2 0 326.431 3.494 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC1(F)F ZINC001204262943 1370425618 /nfs/dbraw/zinc/42/56/18/1370425618.db2.gz BXARKAPTHUJASY-OAHLLOKOSA-N 2 0 326.431 3.494 20 0 EGADRP Cn1cncc1C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001204386390 1370462489 /nfs/dbraw/zinc/46/24/89/1370462489.db2.gz WOARXSCPYKWRSO-UHFFFAOYSA-N 2 0 338.499 3.298 20 0 EGADRP Clc1ccc(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001204621872 1370531959 /nfs/dbraw/zinc/53/19/59/1370531959.db2.gz PZMITEAWHAUBQR-UHFFFAOYSA-N 2 0 347.915 3.369 20 0 EGADRP Fc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc(N2CCCC2)c1 ZINC001204748732 1370564697 /nfs/dbraw/zinc/56/46/97/1370564697.db2.gz SBGVZHCFVBKSAU-UHFFFAOYSA-N 2 0 331.479 3.392 20 0 EGADRP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc3cc(Br)ccc3c2)CCO1 ZINC001204756655 1370568131 /nfs/dbraw/zinc/56/81/31/1370568131.db2.gz RCUNVHOEPMLISI-QGZVFWFLSA-N 2 0 349.272 3.152 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1)[NH+](C)C ZINC001115592171 1370593045 /nfs/dbraw/zinc/59/30/45/1370593045.db2.gz XBVYLHSXYRWLTA-GOSISDBHSA-N 2 0 349.494 3.075 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598558 1370599000 /nfs/dbraw/zinc/59/90/00/1370599000.db2.gz SJWVAYZJLQWJFO-XDXAGZTOSA-N 2 0 335.536 3.236 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC001205023548 1370631832 /nfs/dbraw/zinc/63/18/32/1370631832.db2.gz QHFZYLSYMZRBNQ-UHFFFAOYSA-N 2 0 338.499 3.298 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC3CC3)CCCCC2)CCCCC1 ZINC001115648311 1370637079 /nfs/dbraw/zinc/63/70/79/1370637079.db2.gz KRGRHWZRHOPNQH-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661536 1370645757 /nfs/dbraw/zinc/64/57/57/1370645757.db2.gz DKBTUMVDKTYJEL-MRXNPFEDSA-N 2 0 341.515 3.018 20 0 EGADRP COc1cc(F)ccc1-c1cncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124542 1370657654 /nfs/dbraw/zinc/65/76/54/1370657654.db2.gz UPHHIENZUIUZJN-KRWDZBQOSA-N 2 0 329.419 3.210 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001205230688 1370688696 /nfs/dbraw/zinc/68/86/96/1370688696.db2.gz TYDOYQLOSZXILJ-CQSZACIVSA-N 2 0 336.785 3.035 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001115729631 1370711364 /nfs/dbraw/zinc/71/13/64/1370711364.db2.gz NHMGHRWEENUTCB-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc3cc(Br)ccc3n2)C[C@@H]1C[NH3+] ZINC001205305872 1370715020 /nfs/dbraw/zinc/71/50/20/1370715020.db2.gz TUBFCMNIOXWJMJ-OCCSQVGLSA-N 2 0 348.288 3.414 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C[C@H]1C[NH3+] ZINC001205306343 1370715223 /nfs/dbraw/zinc/71/52/23/1370715223.db2.gz VOORKRCBQGLNLM-WCQYABFASA-N 2 0 334.357 3.340 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205317343 1370718770 /nfs/dbraw/zinc/71/87/70/1370718770.db2.gz OCLKKAXBSWDVHG-APWZRJJASA-N 2 0 340.467 3.388 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001115760285 1370744173 /nfs/dbraw/zinc/74/41/73/1370744173.db2.gz LBFQFTKCMTYZAN-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)[NH+]1CCCCCC1 ZINC001115760754 1370744597 /nfs/dbraw/zinc/74/45/97/1370744597.db2.gz RWSQEIZBXMEDOF-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205420280 1370748980 /nfs/dbraw/zinc/74/89/80/1370748980.db2.gz NFMZXBZAXHPIGN-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001115777124 1370760392 /nfs/dbraw/zinc/76/03/92/1370760392.db2.gz BQFLHVMWLKGDQQ-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205549459 1370787720 /nfs/dbraw/zinc/78/77/20/1370787720.db2.gz VBVVEPCTOVFYIV-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)CC1 ZINC001205559004 1370791589 /nfs/dbraw/zinc/79/15/89/1370791589.db2.gz MZCQBAGSNHLNAV-QGZVFWFLSA-N 2 0 336.842 3.383 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001205578612 1370798826 /nfs/dbraw/zinc/79/88/26/1370798826.db2.gz GYRMSYPASNXGSB-KRWDZBQOSA-N 2 0 338.377 3.008 20 0 EGADRP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205591116 1370802897 /nfs/dbraw/zinc/80/28/97/1370802897.db2.gz DTSCBVGONHDOJV-HNNXBMFYSA-N 2 0 334.357 3.367 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC1 ZINC001205592091 1370803540 /nfs/dbraw/zinc/80/35/40/1370803540.db2.gz QYFZSVQZKCSNCQ-KRWDZBQOSA-N 2 0 337.826 3.247 20 0 EGADRP COC1CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001205615408 1370811391 /nfs/dbraw/zinc/81/13/91/1370811391.db2.gz OFYCMTWFYGWWQE-JWEZTNTCSA-N 2 0 328.500 3.255 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205615809 1370811697 /nfs/dbraw/zinc/81/16/97/1370811697.db2.gz BEWRIPVXNSTIQC-YPMHNXCESA-N 2 0 329.257 3.395 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618418 1370812705 /nfs/dbraw/zinc/81/27/05/1370812705.db2.gz VVJITXKONMBNDX-JXFKEZNVSA-N 2 0 340.515 3.355 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205626915 1370816494 /nfs/dbraw/zinc/81/64/94/1370816494.db2.gz KPQRIIUSFGONHD-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1C[NH3+] ZINC001205626643 1370816763 /nfs/dbraw/zinc/81/67/63/1370816763.db2.gz HPIGYORUCSCNHG-AAEUAGOBSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1C[NH3+] ZINC001205626649 1370816786 /nfs/dbraw/zinc/81/67/86/1370816786.db2.gz HPIGYORUCSCNHG-YPMHNXCESA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)no2)CC[C@H]1C[NH3+] ZINC001205635481 1370820718 /nfs/dbraw/zinc/82/07/18/1370820718.db2.gz AZAFSQYGQXEZOG-WBVHZDCISA-N 2 0 329.444 3.060 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205636006 1370820997 /nfs/dbraw/zinc/82/09/97/1370820997.db2.gz BQOMPPZBFLJTRW-AAEUAGOBSA-N 2 0 332.366 3.098 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC[C@H]1C[NH3+] ZINC001205636877 1370821708 /nfs/dbraw/zinc/82/17/08/1370821708.db2.gz FUYSOYPPCHRHNE-PXNSSMCTSA-N 2 0 339.483 3.467 20 0 EGADRP CC1([NH+]2CCOCC2)CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC001205649997 1370827649 /nfs/dbraw/zinc/82/76/49/1370827649.db2.gz AFUHKAMILJPIHO-UHFFFAOYSA-N 2 0 339.483 3.358 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)n21 ZINC001205651616 1370829384 /nfs/dbraw/zinc/82/93/84/1370829384.db2.gz HKUJQCSQNOMOJU-LSDHHAIUSA-N 2 0 332.517 3.253 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001205663743 1370833632 /nfs/dbraw/zinc/83/36/32/1370833632.db2.gz KOOCHMYRIVQAOZ-FQEVSTJZSA-N 2 0 326.440 3.155 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001205735628 1370855363 /nfs/dbraw/zinc/85/53/63/1370855363.db2.gz OSYCWPXFKKZWPA-FQEVSTJZSA-N 2 0 328.431 3.168 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001116208784 1370860080 /nfs/dbraw/zinc/86/00/80/1370860080.db2.gz HPWYRGNCGORQRP-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCc1cccc(Br)c1 ZINC001205903002 1370906043 /nfs/dbraw/zinc/90/60/43/1370906043.db2.gz MKJLTUQBOHNVDF-UKRRQHHQSA-N 2 0 325.294 3.441 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)no2)cc1 ZINC001205996713 1370933285 /nfs/dbraw/zinc/93/32/85/1370933285.db2.gz XVZXYHLKHFYGFF-HOCLYGCPSA-N 2 0 329.444 3.157 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001205996016 1370933354 /nfs/dbraw/zinc/93/33/54/1370933354.db2.gz TVSLJSAUBKLGFN-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206026248 1370941819 /nfs/dbraw/zinc/94/18/19/1370941819.db2.gz RCAVIFBHFIKSQJ-ZBFHGGJFSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccnc(OCc3ccccc3)c2)CCC[C@H]1C[NH3+] ZINC001206036734 1370945071 /nfs/dbraw/zinc/94/50/71/1370945071.db2.gz PCWZGWSKAUKSFZ-XLIONFOSSA-N 2 0 339.483 3.467 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c[nH]c2c1 ZINC001206036865 1370945160 /nfs/dbraw/zinc/94/51/60/1370945160.db2.gz SANVBKRSTGORSR-GOEBONIOSA-N 2 0 343.471 3.151 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC(F)(F)F ZINC001206037365 1370946287 /nfs/dbraw/zinc/94/62/87/1370946287.db2.gz VEAJHXABDNJPMV-JSGCOSHPSA-N 2 0 346.393 3.401 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c2c1 ZINC001206211734 1370993981 /nfs/dbraw/zinc/99/39/81/1370993981.db2.gz PIKDTGWYMKKVRV-QZTJIDSGSA-N 2 0 332.419 3.118 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304923 1371016785 /nfs/dbraw/zinc/01/67/85/1371016785.db2.gz RPHVJPYGTQVMKF-HXUWFJFHSA-N 2 0 326.488 3.440 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Br)c1 ZINC001206311303 1371017441 /nfs/dbraw/zinc/01/74/41/1371017441.db2.gz MIRVWJNFLMJUKZ-MRXNPFEDSA-N 2 0 341.293 3.409 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CC1 ZINC001206326294 1371024019 /nfs/dbraw/zinc/02/40/19/1371024019.db2.gz MLHFJCARYFWUHT-HNNXBMFYSA-N 2 0 332.366 3.242 20 0 EGADRP COc1ccc2c(OC)ccc(C[NH+]3CCC(CC[NH3+])CC3)c2c1 ZINC001206506751 1371076536 /nfs/dbraw/zinc/07/65/36/1371076536.db2.gz OAIWAMAQAIPCOQ-UHFFFAOYSA-N 2 0 328.456 3.418 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542229 1371087771 /nfs/dbraw/zinc/08/77/71/1371087771.db2.gz VSERQEYFCWSUCY-HXUWFJFHSA-N 2 0 332.488 3.247 20 0 EGADRP COC(=O)/C=C/c1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206597369 1371104258 /nfs/dbraw/zinc/10/42/58/1371104258.db2.gz BGVJMQODUAXDAS-VYENPZKTSA-N 2 0 330.472 3.225 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001206622391 1371111843 /nfs/dbraw/zinc/11/18/43/1371111843.db2.gz BBVCJHKCVNCVMM-LBPRGKRZSA-N 2 0 336.277 3.491 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001118059910 1371126543 /nfs/dbraw/zinc/12/65/43/1371126543.db2.gz UVEOYGLEINTLTA-APWZRJJASA-N 2 0 326.488 3.416 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC[NH2+]C1 ZINC001118216339 1371148358 /nfs/dbraw/zinc/14/83/58/1371148358.db2.gz GHYWTOJRKMDTDS-OXQOHEQNSA-N 2 0 329.488 3.247 20 0 EGADRP COc1nccc(Cl)c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206761028 1371155839 /nfs/dbraw/zinc/15/58/39/1371155839.db2.gz RTDONIXKFPQSJE-UHFFFAOYSA-N 2 0 345.874 3.236 20 0 EGADRP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCc1cccc(Br)c1 ZINC001206761335 1371156490 /nfs/dbraw/zinc/15/64/90/1371156490.db2.gz WYRZYCDRJVHVDI-ZFWWWQNUSA-N 2 0 325.294 3.441 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1OC(=O)C(C)C ZINC001206769720 1371159481 /nfs/dbraw/zinc/15/94/81/1371159481.db2.gz PRKFOKFWEOVMKU-WBVHZDCISA-N 2 0 348.487 3.206 20 0 EGADRP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206772226 1371160993 /nfs/dbraw/zinc/16/09/93/1371160993.db2.gz ZJXGVOIACGAUTD-NEPJUHHUSA-N 2 0 336.277 3.490 20 0 EGADRP Cc1ccccc1C[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206882796 1371204978 /nfs/dbraw/zinc/20/49/78/1371204978.db2.gz CAIOJQVDRLGQKU-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC001206890436 1371209508 /nfs/dbraw/zinc/20/95/08/1371209508.db2.gz RKYNAPYJYRLSFL-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206952158 1371242573 /nfs/dbraw/zinc/24/25/73/1371242573.db2.gz BECCPUDXFOZQKW-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC(C[NH2+]CC2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001206968362 1371251768 /nfs/dbraw/zinc/25/17/68/1371251768.db2.gz BKEXUNLXDJXALA-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ncc3ccccn32)c1 ZINC001207050646 1371277472 /nfs/dbraw/zinc/27/74/72/1371277472.db2.gz DEJPYZKZEZDBNS-CALCHBBNSA-N 2 0 338.480 3.245 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001207278863 1371348930 /nfs/dbraw/zinc/34/89/30/1371348930.db2.gz FGYRGCLIFMABBN-CTNGQTDRSA-N 2 0 345.531 3.288 20 0 EGADRP CC[N@H+](CCn1ccnc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207293361 1371352443 /nfs/dbraw/zinc/35/24/43/1371352443.db2.gz IGTBRGFTLMHHAF-UHFFFAOYSA-N 3 0 326.488 3.117 20 0 EGADRP c1ccc(C[NH+]2CCC(CN3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC001207292569 1371352761 /nfs/dbraw/zinc/35/27/61/1371352761.db2.gz UTUYEIWDEVWQIH-UHFFFAOYSA-N 2 0 327.516 3.069 20 0 EGADRP F[C@H]1COC2(C1)CC[NH+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207292499 1371352957 /nfs/dbraw/zinc/35/29/57/1371352957.db2.gz QZJRCVCGYSQHCG-HXUWFJFHSA-N 2 0 346.490 3.492 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@@H]1CCOC(C)(C)C1 ZINC001207362466 1371374339 /nfs/dbraw/zinc/37/43/39/1371374339.db2.gz IBDHGBSQYUUNFG-LJQANCHMSA-N 2 0 341.584 3.177 20 0 EGADRP CCC[NH+]1C[C@H]2C[NH+](CCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207385413 1371381005 /nfs/dbraw/zinc/38/10/05/1371381005.db2.gz XYUFDORBYXBOEB-HOTGVXAUSA-N 2 0 337.305 3.265 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)CC1 ZINC001207397487 1371383929 /nfs/dbraw/zinc/38/39/29/1371383929.db2.gz MJUUTRMFXQWKHM-OAQYLSRUSA-N 2 0 345.506 3.208 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435222 1371395801 /nfs/dbraw/zinc/39/58/01/1371395801.db2.gz KNTMNISGOGWXOQ-DFQSSKMNSA-N 2 0 347.572 3.280 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001207484979 1371409684 /nfs/dbraw/zinc/40/96/84/1371409684.db2.gz PJKXLWQFOZMUDA-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(F)cc1)C2 ZINC001207513754 1371421310 /nfs/dbraw/zinc/42/13/10/1371421310.db2.gz OYAWXEPJQXNDKA-CTNGQTDRSA-N 2 0 346.490 3.049 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563352 1371435389 /nfs/dbraw/zinc/43/53/89/1371435389.db2.gz QFKAUXDVMXEPOS-NSISKUIASA-N 2 0 343.515 3.059 20 0 EGADRP COc1ccc(CCC[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001207583952 1371442722 /nfs/dbraw/zinc/44/27/22/1371442722.db2.gz CSMGEMDNTMLYSW-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)s2)cn1 ZINC001119989952 1371444445 /nfs/dbraw/zinc/44/44/45/1371444445.db2.gz UCVZAXSVTPROAN-ZMSDIMECSA-N 2 0 344.528 3.311 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120032735 1371462698 /nfs/dbraw/zinc/46/26/98/1371462698.db2.gz KQPGXNGSGJKFCW-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001120032754 1371462945 /nfs/dbraw/zinc/46/29/45/1371462945.db2.gz LGKSQXKGFQHYGL-UHFFFAOYSA-N 2 0 343.531 3.267 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC001120046880 1371468165 /nfs/dbraw/zinc/46/81/65/1371468165.db2.gz QZGOPNCXLSUZEO-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001120188707 1371502106 /nfs/dbraw/zinc/50/21/06/1371502106.db2.gz CUTGADVHRGHTNO-XFFZJAGNSA-N 2 0 341.927 3.024 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208425 1371505353 /nfs/dbraw/zinc/50/53/53/1371505353.db2.gz ZFMCUVQEPUXHBG-IAGOWNOFSA-N 2 0 341.515 3.018 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001120208053 1371505545 /nfs/dbraw/zinc/50/55/45/1371505545.db2.gz SGWPSPBCBFKZNO-CTWPCTMYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001120403635 1371563310 /nfs/dbraw/zinc/56/33/10/1371563310.db2.gz ZWAHHAROTFNWIZ-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120422309 1371569405 /nfs/dbraw/zinc/56/94/05/1371569405.db2.gz LHWFSCZYUUSBMZ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423886 1371571632 /nfs/dbraw/zinc/57/16/32/1371571632.db2.gz XRGHCVZNJUGWCR-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC)C1 ZINC001120429806 1371572734 /nfs/dbraw/zinc/57/27/34/1371572734.db2.gz BLNNWQCELWWUIQ-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048369 1371579356 /nfs/dbraw/zinc/57/93/56/1371579356.db2.gz HEZVJDKXBYYIFG-QWNKOJSDSA-N 2 0 335.536 3.188 20 0 EGADRP CS[C@H](C)CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001208142264 1371607644 /nfs/dbraw/zinc/60/76/44/1371607644.db2.gz DVZMVYFNDOIBSU-GOSISDBHSA-N 2 0 348.556 3.495 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC1(C[NH+](C)C)CCCC1 ZINC001208192318 1371628804 /nfs/dbraw/zinc/62/88/04/1371628804.db2.gz UDYUZTBLBAARIS-IBGZPJMESA-N 2 0 329.532 3.315 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001208281433 1371697798 /nfs/dbraw/zinc/69/77/98/1371697798.db2.gz IILXXMMUKJWEOT-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331547 1371720462 /nfs/dbraw/zinc/72/04/62/1371720462.db2.gz UAOANNGVAUULBB-CQQBRXBZSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208332091 1371721414 /nfs/dbraw/zinc/72/14/14/1371721414.db2.gz ZXKMPYNTXIGJSR-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208359753 1371734936 /nfs/dbraw/zinc/73/49/36/1371734936.db2.gz ZYGYOKMUSVVCFS-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208396093 1371752878 /nfs/dbraw/zinc/75/28/78/1371752878.db2.gz NOUFMVZOBZRUNT-ODWICZQRSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208396092 1371753112 /nfs/dbraw/zinc/75/31/12/1371753112.db2.gz NOUFMVZOBZRUNT-IEVDXQOXSA-N 2 0 349.563 3.291 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001120834552 1371778024 /nfs/dbraw/zinc/77/80/24/1371778024.db2.gz KSDQHTSKLUYIAM-MBEFBZSESA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563836 1371819129 /nfs/dbraw/zinc/81/91/29/1371819129.db2.gz FRWOIJVGMRWWRT-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208575167 1371823194 /nfs/dbraw/zinc/82/31/94/1371823194.db2.gz KXWAWYJMCYIBFQ-KZNAEPCWSA-N 2 0 325.541 3.124 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208589948 1371829490 /nfs/dbraw/zinc/82/94/90/1371829490.db2.gz AVAYRMAGKKSHFC-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP CC[N@H+](Cc1ccccc1)C1CCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208608663 1371838066 /nfs/dbraw/zinc/83/80/66/1371838066.db2.gz RCRSHMKCPHAMRE-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CCC[C@@]3(CC[NH+]3Cc3cccc(F)c3)C2)C1 ZINC001208609917 1371840638 /nfs/dbraw/zinc/84/06/38/1371840638.db2.gz XMGHONARGUQFOW-TZIWHRDSSA-N 2 0 345.506 3.208 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)C1 ZINC001208614969 1371841964 /nfs/dbraw/zinc/84/19/64/1371841964.db2.gz GAINEKKSHODOGU-CQSZACIVSA-N 2 0 348.874 3.143 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC001208618087 1371842502 /nfs/dbraw/zinc/84/25/02/1371842502.db2.gz RQVOGDQXGXKEEP-GHTZIAJQSA-N 2 0 327.516 3.023 20 0 EGADRP C(C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1)C1CC1 ZINC001208681215 1371859109 /nfs/dbraw/zinc/85/91/09/1371859109.db2.gz QJEVYKSHLIKHKA-SFTDATJTSA-N 2 0 332.532 3.247 20 0 EGADRP CCOC(=O)C1CCN(C2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001208692684 1371863523 /nfs/dbraw/zinc/86/35/23/1371863523.db2.gz AOZVYWWVSPSEED-UHFFFAOYSA-N 2 0 336.520 3.306 20 0 EGADRP CC(C)CCC[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001208735331 1371878401 /nfs/dbraw/zinc/87/84/01/1371878401.db2.gz LHWGQEPSXUQRDS-UHFFFAOYSA-N 2 0 345.531 3.432 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208758916 1371885480 /nfs/dbraw/zinc/88/54/80/1371885480.db2.gz OATVPJJSEZLLQA-SFHVURJKSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232880 1371902096 /nfs/dbraw/zinc/90/20/96/1371902096.db2.gz JRLMHJVTDBOYQE-PMRGXDQWSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2)[NH+](C)C ZINC001121267055 1371915845 /nfs/dbraw/zinc/91/58/45/1371915845.db2.gz BGVQYUKPWITYBP-FCOWATRHSA-N 2 0 349.563 3.170 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC001208935020 1371951416 /nfs/dbraw/zinc/95/14/16/1371951416.db2.gz HOLRPKXBLMMGDQ-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP C[C@@]1(CO)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208933020 1371952631 /nfs/dbraw/zinc/95/26/31/1371952631.db2.gz SRXUHLXMOVCKGO-NHCUHLMSSA-N 2 0 330.516 3.383 20 0 EGADRP CCOC(=O)[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208953650 1371960447 /nfs/dbraw/zinc/96/04/47/1371960447.db2.gz RFHFQGJBPTUCOB-VQTJNVASSA-N 2 0 344.499 3.174 20 0 EGADRP C[N@@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208949635 1371961132 /nfs/dbraw/zinc/96/11/32/1371961132.db2.gz MNFCFMYZJAKXSL-GGAORHGYSA-N 2 0 349.522 3.497 20 0 EGADRP CCCCOC(=O)[C@@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208962971 1371964377 /nfs/dbraw/zinc/96/43/77/1371964377.db2.gz NBMLNSJYBBZATL-VQTJNVASSA-N 2 0 344.499 3.174 20 0 EGADRP COCOCCC[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001209026854 1371976985 /nfs/dbraw/zinc/97/69/85/1371976985.db2.gz WBDQQSAPPMLBJV-UHFFFAOYSA-N 2 0 338.517 3.047 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001121508018 1371994241 /nfs/dbraw/zinc/99/42/41/1371994241.db2.gz FTQVRHZGUCLNTD-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142208 1372011481 /nfs/dbraw/zinc/01/14/81/1372011481.db2.gz IXKWNUAFDZBTGB-IWOQZAADSA-N 2 0 335.536 3.042 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001121616238 1372026355 /nfs/dbraw/zinc/02/63/55/1372026355.db2.gz DXQSKSXJDRXMHV-GGQJKKPXSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)CC1 ZINC001121653229 1372036194 /nfs/dbraw/zinc/03/61/94/1372036194.db2.gz CZURWLURCZVGCZ-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209278421 1372056061 /nfs/dbraw/zinc/05/60/61/1372056061.db2.gz PVAWDKWKRGPVGL-FUHWJXTLSA-N 2 0 349.519 3.218 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772448 1372076352 /nfs/dbraw/zinc/07/63/52/1372076352.db2.gz AKILOONORUQCJJ-XKZCYDSASA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)(C)OC(=O)NCCCCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001209357391 1372077256 /nfs/dbraw/zinc/07/72/56/1372077256.db2.gz NYPOAKRHWDMMDY-QGZVFWFLSA-N 2 0 339.524 3.242 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C[C@@H]1C[C@@H]1C)CC2 ZINC001209414868 1372099667 /nfs/dbraw/zinc/09/96/67/1372099667.db2.gz MYHOHVPVMNZFDC-BJLQDIEVSA-N 2 0 343.515 3.041 20 0 EGADRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209417695 1372100316 /nfs/dbraw/zinc/10/03/16/1372100316.db2.gz XDHJOOORQGRECS-MISYRCLQSA-N 2 0 328.500 3.398 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854392 1372103140 /nfs/dbraw/zinc/10/31/40/1372103140.db2.gz OARULNOEZSNVEB-PMRGXDQWSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854124 1372103377 /nfs/dbraw/zinc/10/33/77/1372103377.db2.gz MIERGLISPIVYMI-GGQJKKPXSA-N 2 0 349.563 3.458 20 0 EGADRP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)CCC[NH+]1CCCCC1)C2 ZINC001209452070 1372109560 /nfs/dbraw/zinc/10/95/60/1372109560.db2.gz BAQGRBAXBLRBEI-QGZVFWFLSA-N 2 0 332.488 3.151 20 0 EGADRP c1cc2ccc(C[N@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc2[nH]1 ZINC001209511752 1372124992 /nfs/dbraw/zinc/12/49/92/1372124992.db2.gz XASDAPPTNONGCD-UHFFFAOYSA-N 2 0 349.482 3.019 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001209615965 1372152512 /nfs/dbraw/zinc/15/25/12/1372152512.db2.gz XTOXFJJJXANEHT-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001122022817 1372155503 /nfs/dbraw/zinc/15/55/03/1372155503.db2.gz JXZCNPQGBHNKKX-FPLPWBNLSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122063802 1372166557 /nfs/dbraw/zinc/16/65/57/1372166557.db2.gz OEUZWLVGOLFBIB-RBUNFDSBSA-N 2 0 349.563 3.170 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209691813 1372171380 /nfs/dbraw/zinc/17/13/80/1372171380.db2.gz YVGQVORHRPNIPK-CNZFZVQHSA-N 2 0 337.552 3.291 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952348 1372239945 /nfs/dbraw/zinc/23/99/45/1372239945.db2.gz PRJNBVMBGNICHZ-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210132783 1372277721 /nfs/dbraw/zinc/27/77/21/1372277721.db2.gz IISINYPGZDCZAF-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133419 1372278046 /nfs/dbraw/zinc/27/80/46/1372278046.db2.gz PXKTZMIVKRKPDY-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)C(C)C ZINC001210189367 1372291256 /nfs/dbraw/zinc/29/12/56/1372291256.db2.gz CXHHIMDZPUVRBB-ZWKOTPCHSA-N 2 0 343.531 3.073 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC(C)C)C1)C(C)C ZINC001210189654 1372291392 /nfs/dbraw/zinc/29/13/92/1372291392.db2.gz LBFRTYLJSWIIGP-OALUTQOASA-N 2 0 339.568 3.370 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c2ccsc2n1 ZINC001210264146 1372309515 /nfs/dbraw/zinc/30/95/15/1372309515.db2.gz LMENMTGZXAOJJY-UHFFFAOYSA-N 2 0 325.441 3.153 20 0 EGADRP Clc1nc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2s1 ZINC001210268523 1372310960 /nfs/dbraw/zinc/31/09/60/1372310960.db2.gz DANPIROGOXDDNL-UHFFFAOYSA-N 2 0 345.859 3.498 20 0 EGADRP Oc1cc(Cl)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1Cl ZINC001210269586 1372310973 /nfs/dbraw/zinc/31/09/73/1372310973.db2.gz XLINIZPGQRPKFI-UHFFFAOYSA-N 2 0 339.226 3.247 20 0 EGADRP Nc1cc(Cl)c(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210269262 1372310995 /nfs/dbraw/zinc/31/09/95/1372310995.db2.gz PZARBRBHNQLTKH-UHFFFAOYSA-N 2 0 338.242 3.124 20 0 EGADRP CC(=O)c1ccc(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210268335 1372311426 /nfs/dbraw/zinc/31/14/26/1372311426.db2.gz YMRNWEOZSMQTMV-UHFFFAOYSA-N 2 0 330.819 3.091 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427595 1372350419 /nfs/dbraw/zinc/35/04/19/1372350419.db2.gz XOZMWWYYZZWNGI-WSTZPKSXSA-N 2 0 345.531 3.224 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210614763 1372391494 /nfs/dbraw/zinc/39/14/94/1372391494.db2.gz JEHOBYYGBPLRFY-CTNGQTDRSA-N 2 0 345.531 3.234 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001210644356 1372398822 /nfs/dbraw/zinc/39/88/22/1372398822.db2.gz OJDQMUNVUQOKAL-UXHICEINSA-N 2 0 343.515 3.226 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001210645398 1372398899 /nfs/dbraw/zinc/39/88/99/1372398899.db2.gz QZJHXWSMZUMNPO-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001210788642 1372426872 /nfs/dbraw/zinc/42/68/72/1372426872.db2.gz HCLUFIHJUKWVHO-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210812430 1372431263 /nfs/dbraw/zinc/43/12/63/1372431263.db2.gz ZYUQCIMQNMSYNP-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126212 1372487883 /nfs/dbraw/zinc/48/78/83/1372487883.db2.gz PCFROFATPDTXGE-LLHWWHOWSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211242020 1372510064 /nfs/dbraw/zinc/51/00/64/1372510064.db2.gz YAZRJVCNFDHDIE-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310572 1372526164 /nfs/dbraw/zinc/52/61/64/1372526164.db2.gz SRYAVMBHCPCOHO-CQJJOKNBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374582 1372542898 /nfs/dbraw/zinc/54/28/98/1372542898.db2.gz JORVPMWBPVQGPR-DSTKZSRVSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001212335455 1372689801 /nfs/dbraw/zinc/68/98/01/1372689801.db2.gz BPBMVUQDXKMYIO-AWEZNQCLSA-N 2 0 328.338 3.058 20 0 EGADRP Cc1cc(Nc2cccc(N3CC[NH+](C)CC3)c2)c2ccccc2[nH+]1 ZINC001212709301 1372758487 /nfs/dbraw/zinc/75/84/87/1372758487.db2.gz NATUEBFHYMGPNF-UHFFFAOYSA-N 2 0 332.451 3.461 20 0 EGADRP CC(C)(C)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356581 1373118924 /nfs/dbraw/zinc/11/89/24/1373118924.db2.gz IAPWCSBWGCTOFX-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845339 1373128357 /nfs/dbraw/zinc/12/83/57/1373128357.db2.gz OOQHKOVOLLYAFZ-PDTMIUJASA-N 2 0 349.563 3.147 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215778554 1373236959 /nfs/dbraw/zinc/23/69/59/1373236959.db2.gz RMMQJOBQNCLBEH-BHIYHBOVSA-N 2 0 337.552 3.122 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cccc(N3CC[NH+](C)CC3)c2)c1F ZINC001216222775 1373284472 /nfs/dbraw/zinc/28/44/72/1373284472.db2.gz VPTZDRNQJCNRSB-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccccc2N2CC[NH+](C)CC2)c1F ZINC001216222553 1373284792 /nfs/dbraw/zinc/28/47/92/1373284792.db2.gz JXYDIZSYGIDFEF-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CCOc1ccc(C)c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001216236297 1373287194 /nfs/dbraw/zinc/28/71/94/1373287194.db2.gz NALPSHAQETVYFX-UHFFFAOYSA-N 2 0 326.444 3.284 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001216348321 1373304464 /nfs/dbraw/zinc/30/44/64/1373304464.db2.gz KBPKDOURTIWDBL-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001216348514 1373304550 /nfs/dbraw/zinc/30/45/50/1373304550.db2.gz MNXLYNKCXYBEFY-FGTMMUONSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001216510876 1373313363 /nfs/dbraw/zinc/31/33/63/1373313363.db2.gz BUCZBGNZVOXUHM-AYOQOUSVSA-N 2 0 349.494 3.055 20 0 EGADRP C[NH+]1CCN(c2ccccc2Nc2c[nH+]cn2Cc2ccccc2)CC1 ZINC001216551804 1373315605 /nfs/dbraw/zinc/31/56/05/1373315605.db2.gz AHABGLKELCCLKB-UHFFFAOYSA-N 2 0 347.466 3.427 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001216965724 1373372641 /nfs/dbraw/zinc/37/26/41/1373372641.db2.gz ZDAUJIUWFZKKAQ-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)C1CCCCC1)c1ccccc1 ZINC001326629479 1388263113 /nfs/dbraw/zinc/26/31/13/1388263113.db2.gz XVWSPYHVHBGFBM-LJQANCHMSA-N 2 0 345.531 3.354 20 0 EGADRP Clc1ccc([C@@H]2C[C@H]2c2nnc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1 ZINC001217756862 1373499294 /nfs/dbraw/zinc/49/92/94/1373499294.db2.gz AOHSXEWGFAIXQL-JKSUJKDBSA-N 2 0 346.862 3.083 20 0 EGADRP C[C@@H]1C[C@@H](OCc2ccc(OCC[NH+]3CCCCCC3)cc2)C[NH2+]1 ZINC001217785611 1373500257 /nfs/dbraw/zinc/50/02/57/1373500257.db2.gz ODFZZMNMAPJDBK-YLJYHZDGSA-N 2 0 332.488 3.208 20 0 EGADRP c1cc(OCC[NH+]2CCCCCC2)ccc1CO[C@H]1CCC12C[NH2+]C2 ZINC001217850413 1373507043 /nfs/dbraw/zinc/50/70/43/1373507043.db2.gz RWFDBWQMBXQPQR-FQEVSTJZSA-N 2 0 344.499 3.210 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCC[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC001217931242 1373513969 /nfs/dbraw/zinc/51/39/69/1373513969.db2.gz STKKEPOUABILRN-VMXMFDLUSA-N 2 0 328.500 3.303 20 0 EGADRP CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@H]3C[NH2+]CCOC3)c2C1 ZINC001218040649 1373545687 /nfs/dbraw/zinc/54/56/87/1373545687.db2.gz AZWANHQXTHGZCF-OALUTQOASA-N 2 0 346.515 3.033 20 0 EGADRP F[C@@H]1C[NH2+]CC[C@H]1Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001218066471 1373551891 /nfs/dbraw/zinc/55/18/91/1373551891.db2.gz LKJLNHJWSRVFHN-QZTJIDSGSA-N 2 0 343.446 3.300 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001130622435 1373571597 /nfs/dbraw/zinc/57/15/97/1373571597.db2.gz IPAOGKOGQIGUHT-MRXNPFEDSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[NH+](CCC)[C@@H]1CCc2cccc(OC[C@H]3C[NH2+]CCO3)c2C1 ZINC001218179582 1373573568 /nfs/dbraw/zinc/57/35/68/1373573568.db2.gz YSEYUVNBGRAGHA-RTBURBONSA-N 2 0 346.515 3.033 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001130708787 1373583047 /nfs/dbraw/zinc/58/30/47/1373583047.db2.gz HVOKAXNFPIQPEF-UYAOXDASSA-N 2 0 345.531 3.191 20 0 EGADRP N[C@H](C[NH3+])c1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1 ZINC001218525374 1373630323 /nfs/dbraw/zinc/63/03/23/1373630323.db2.gz YQYHACHCVWDIFV-OAHLLOKOSA-N 2 0 338.436 3.021 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC001218830866 1373658626 /nfs/dbraw/zinc/65/86/26/1373658626.db2.gz SQDRICZHKAHHSS-LBPRGKRZSA-N 2 0 337.773 3.014 20 0 EGADRP CCCCCCOc1ccc(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)cc1 ZINC001218852609 1373661177 /nfs/dbraw/zinc/66/11/77/1373661177.db2.gz JFXXIASVYNTBPL-SFHVURJKSA-N 2 0 335.492 3.301 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001218999366 1373677433 /nfs/dbraw/zinc/67/74/33/1373677433.db2.gz TVOMYAXJYUUGJP-UYAOXDASSA-N 2 0 335.451 3.440 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC001219024419 1373680241 /nfs/dbraw/zinc/68/02/41/1373680241.db2.gz YDUXKXYGSTWJSY-FQEVSTJZSA-N 2 0 329.488 3.389 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848189 1373798037 /nfs/dbraw/zinc/79/80/37/1373798037.db2.gz DBTRSLZIMCIAEJ-UEIMZRGPSA-N 2 0 347.547 3.138 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC2CCCCCC2)CCCCC1 ZINC001131799980 1373811144 /nfs/dbraw/zinc/81/11/44/1373811144.db2.gz ZSJDQSFNGLZBKH-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP Clc1ccc2c(c1)C1(CN2)CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001222172980 1373818866 /nfs/dbraw/zinc/81/88/66/1373818866.db2.gz PBRVSCVODSPWEX-OAHLLOKOSA-N 2 0 333.907 3.489 20 0 EGADRP CC1(C[NH+]2CCC3(CNc4ccc(Cl)cc43)CC2)CC[NH2+]CC1 ZINC001222172945 1373819144 /nfs/dbraw/zinc/81/91/44/1373819144.db2.gz OUDQRZUIEWJTNZ-UHFFFAOYSA-N 2 0 333.907 3.489 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131836889 1373830412 /nfs/dbraw/zinc/83/04/12/1373830412.db2.gz FLJRCACFUPFOES-QGZVFWFLSA-N 2 0 331.504 3.026 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001131845165 1373834194 /nfs/dbraw/zinc/83/41/94/1373834194.db2.gz SSCAABXJESHGJI-GOSISDBHSA-N 2 0 345.531 3.335 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001224883496 1375082640 /nfs/dbraw/zinc/08/26/40/1375082640.db2.gz CBBYRUILNCATQJ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001225228654 1375098726 /nfs/dbraw/zinc/09/87/26/1375098726.db2.gz SPRNEVCBQGLRMY-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578064 1375126425 /nfs/dbraw/zinc/12/64/25/1375126425.db2.gz OWOSXODDWPASDL-PRPIBZDOSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132105763 1375150181 /nfs/dbraw/zinc/15/01/81/1375150181.db2.gz MMFBQKVCSHOIPL-AEFFLSMTSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C[N@@H+]1CCCCCF ZINC001132132429 1375162514 /nfs/dbraw/zinc/16/25/14/1375162514.db2.gz QVEKBSQGOHQYOU-HOCLYGCPSA-N 2 0 346.450 3.285 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140260 1375167488 /nfs/dbraw/zinc/16/74/88/1375167488.db2.gz HADWTBAKCDIBOE-DLBZAZTESA-N 2 0 337.552 3.265 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132154168 1375174133 /nfs/dbraw/zinc/17/41/33/1375174133.db2.gz XMXXRXQKLNHESL-JKSUJKDBSA-N 2 0 325.541 3.122 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCC2)C1 ZINC001132153835 1375174459 /nfs/dbraw/zinc/17/44/59/1375174459.db2.gz UFMWOGJJMJBENV-WMZOPIPTSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132204426 1375207670 /nfs/dbraw/zinc/20/76/70/1375207670.db2.gz WFOXPXOZWOJDGG-OALUTQOASA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214328 1375213639 /nfs/dbraw/zinc/21/36/39/1375213639.db2.gz FTMDPIOBABKKEB-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCc1nccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC001226324161 1375239908 /nfs/dbraw/zinc/23/99/08/1375239908.db2.gz YUSZULFTHZZYHO-KZNAEPCWSA-N 2 0 346.519 3.380 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265214 1375254932 /nfs/dbraw/zinc/25/49/32/1375254932.db2.gz JQCHMUXUMYVEAM-KBSZCIAZSA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311474 1375290801 /nfs/dbraw/zinc/29/08/01/1375290801.db2.gz URFDLTMGOHZICM-FUHWJXTLSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001226765488 1375329041 /nfs/dbraw/zinc/32/90/41/1375329041.db2.gz DDSSRHSCICCRHR-IPMKNSEASA-N 2 0 337.552 3.312 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132409759 1375357976 /nfs/dbraw/zinc/35/79/76/1375357976.db2.gz DTUXOFAZFQVAHN-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132435086 1375379665 /nfs/dbraw/zinc/37/96/65/1375379665.db2.gz AXGUCSWTYIVSKI-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001227193192 1375405276 /nfs/dbraw/zinc/40/52/76/1375405276.db2.gz IVKOWXVMQRLPBL-RTBURBONSA-N 2 0 346.519 3.115 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132518868 1375437144 /nfs/dbraw/zinc/43/71/44/1375437144.db2.gz PMPMDNOQRWHHMY-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227618696 1375454394 /nfs/dbraw/zinc/45/43/94/1375454394.db2.gz IGSJGMVKVQEFIM-QGZVFWFLSA-N 2 0 343.531 3.073 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CCC1CC1 ZINC001132549552 1375455841 /nfs/dbraw/zinc/45/58/41/1375455841.db2.gz UVBQXOGODWJPOF-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703110 1375463109 /nfs/dbraw/zinc/46/31/09/1375463109.db2.gz BUYUYEQPTZHOEY-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227791361 1375474495 /nfs/dbraw/zinc/47/44/95/1375474495.db2.gz CQOYXVKXKVCKDY-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001227900481 1375489290 /nfs/dbraw/zinc/48/92/90/1375489290.db2.gz NXGCCJOESNMCPE-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CC/C=C/c2ccccc2)CC1)[NH+](C)C ZINC001227987403 1375498271 /nfs/dbraw/zinc/49/82/71/1375498271.db2.gz ZDFOABBTQYDCLZ-GPVYEGESSA-N 2 0 343.515 3.011 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228039447 1375508783 /nfs/dbraw/zinc/50/87/83/1375508783.db2.gz GYUGXXZPEHGMEU-IBGZPJMESA-N 2 0 345.531 3.449 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001228138110 1375520352 /nfs/dbraw/zinc/52/03/52/1375520352.db2.gz OKWXFSCGGRHXCX-CSSZIBPHSA-N 2 0 349.563 3.482 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228205650 1375527471 /nfs/dbraw/zinc/52/74/71/1375527471.db2.gz BGFIOXJARMBFRF-USXIJHARSA-N 2 0 335.492 3.018 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228205629 1375527505 /nfs/dbraw/zinc/52/75/05/1375527505.db2.gz ALLWIMWSZWWIGV-QZTJIDSGSA-N 2 0 349.519 3.408 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001228260482 1375536682 /nfs/dbraw/zinc/53/66/82/1375536682.db2.gz BEHAXPFFQWUQSE-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001132938670 1375659547 /nfs/dbraw/zinc/65/95/47/1375659547.db2.gz XXLYDPCQQMQPTG-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)c1ccccc1Cl ZINC001132985796 1375694757 /nfs/dbraw/zinc/69/47/57/1375694757.db2.gz SGPYHZXLTDPHLG-CYBMUJFWSA-N 2 0 349.862 3.075 20 0 EGADRP C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001133011120 1375709979 /nfs/dbraw/zinc/70/99/79/1375709979.db2.gz FPGLVNSVVLUMMT-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229125972 1375769318 /nfs/dbraw/zinc/76/93/18/1375769318.db2.gz DJIZSYLECIINBN-NSISKUIASA-N 2 0 345.531 3.425 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001229199857 1375786366 /nfs/dbraw/zinc/78/63/66/1375786366.db2.gz GATGCQIAQQNLRA-HJWRWDBZSA-N 2 0 337.552 3.291 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC)C1 ZINC001133185586 1375829629 /nfs/dbraw/zinc/82/96/29/1375829629.db2.gz FYETWNHDKRLPPO-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001229458272 1375839183 /nfs/dbraw/zinc/83/91/83/1375839183.db2.gz HAFAOOXKHFIILN-SBUVDCAVSA-N 2 0 349.563 3.480 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001229463059 1375839972 /nfs/dbraw/zinc/83/99/72/1375839972.db2.gz XKNPCGHOUYMWDY-XDXAGZTOSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001229523143 1375850786 /nfs/dbraw/zinc/85/07/86/1375850786.db2.gz CBMQNWWLXCMJFO-QXAKKESOSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001133238191 1375859768 /nfs/dbraw/zinc/85/97/68/1375859768.db2.gz QETDNAAOXHDYLW-RBUKOAKNSA-N 2 0 339.568 3.373 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001229615295 1375865427 /nfs/dbraw/zinc/86/54/27/1375865427.db2.gz GJHDRUMACZHVTN-KZNAEPCWSA-N 2 0 341.515 3.018 20 0 EGADRP C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001133261664 1375876482 /nfs/dbraw/zinc/87/64/82/1375876482.db2.gz BZOHZOWCPCDYQI-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133263251 1375879455 /nfs/dbraw/zinc/87/94/55/1375879455.db2.gz RLLOPEZDTQUICP-YZBXUTEPSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001230016636 1375931446 /nfs/dbraw/zinc/93/14/46/1375931446.db2.gz QWQHFRFRYKTANJ-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP C[NH+](C)CCCCC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001230094313 1375942791 /nfs/dbraw/zinc/94/27/91/1375942791.db2.gz RPQYMRFQVPWNKM-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1F ZINC001230274802 1375980069 /nfs/dbraw/zinc/98/00/69/1375980069.db2.gz MKPBJAAYXDMAJJ-ATZDWAIDSA-N 2 0 349.494 3.244 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001230284505 1375984797 /nfs/dbraw/zinc/98/47/97/1375984797.db2.gz IMBOCBSTZKMCJV-WOJBJXKFSA-N 2 0 345.531 3.106 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC[NH2+]CC)Cc1cccc(Cl)c1 ZINC001133410521 1375993936 /nfs/dbraw/zinc/99/39/36/1375993936.db2.gz KYNRLCXFHZFVRJ-UHFFFAOYSA-N 2 0 339.911 3.010 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@]1(O)C(F)(F)F ZINC001232012270 1376382844 /nfs/dbraw/zinc/38/28/44/1376382844.db2.gz XXUCKOKAKDZHQE-IAQYHMDHSA-N 2 0 327.350 3.088 20 0 EGADRP CCCc1noc([C@@H]2CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001232016369 1376386987 /nfs/dbraw/zinc/38/69/87/1376386987.db2.gz WHOCECAEPVEHRF-CYBMUJFWSA-N 2 0 325.416 3.278 20 0 EGADRP Cc1c[nH]c(=O)c(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001233193483 1376584087 /nfs/dbraw/zinc/58/40/87/1376584087.db2.gz BKFQIHAQJABTCF-UHFFFAOYSA-N 2 0 337.467 3.194 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134584013 1376608128 /nfs/dbraw/zinc/60/81/28/1376608128.db2.gz QJGIPLUWIXDDRF-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(CF)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583820 1376608551 /nfs/dbraw/zinc/60/85/51/1376608551.db2.gz OTQFSWXSSWFSJP-HOTGVXAUSA-N 2 0 349.494 3.013 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728661 1376681526 /nfs/dbraw/zinc/68/15/26/1376681526.db2.gz BDSIHVZEUNRNCW-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001134759430 1376704625 /nfs/dbraw/zinc/70/46/25/1376704625.db2.gz OXBSMQHPLJYSEP-ZWKOTPCHSA-N 2 0 331.504 3.026 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134762790 1376707824 /nfs/dbraw/zinc/70/78/24/1376707824.db2.gz GTLBCYDATKYUNL-IEBWSBKVSA-N 2 0 331.504 3.025 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001134774291 1376713475 /nfs/dbraw/zinc/71/34/75/1376713475.db2.gz XFOPCVXUXXKFFV-DLBZAZTESA-N 2 0 333.520 3.098 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791016 1376724304 /nfs/dbraw/zinc/72/43/04/1376724304.db2.gz MOEWGEKXLPHXDA-HZPDHXFCSA-N 2 0 337.552 3.312 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808001 1376736442 /nfs/dbraw/zinc/73/64/42/1376736442.db2.gz CCXKKFXPLNMUMH-HUUCEWRRSA-N 2 0 328.460 3.095 20 0 EGADRP Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF)ccc2c[nH+]cn21 ZINC001134808910 1376737037 /nfs/dbraw/zinc/73/70/37/1376737037.db2.gz MVGBSTWDMXNZOU-LSDHHAIUSA-N 2 0 348.466 3.269 20 0 EGADRP COc1cc(C[NH+]2CCC(OC3CCC3)CC2)ccc1-n1ccnc1 ZINC001234032454 1376757315 /nfs/dbraw/zinc/75/73/15/1376757315.db2.gz IIKSDSADBOVLDH-UHFFFAOYSA-N 2 0 341.455 3.414 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888004 1376768366 /nfs/dbraw/zinc/76/83/66/1376768366.db2.gz JJURKUWOXAUUKC-HOTGVXAUSA-N 2 0 340.471 3.321 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892091 1376771337 /nfs/dbraw/zinc/77/13/37/1376771337.db2.gz JXTTUOBDKVKGQH-LSDHHAIUSA-N 2 0 342.487 3.257 20 0 EGADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](CCc1ccccc1)CC2 ZINC001235022126 1376829108 /nfs/dbraw/zinc/82/91/08/1376829108.db2.gz YFZCOGYKFQQTHN-UHFFFAOYSA-N 2 0 336.479 3.375 20 0 EGADRP COc1ccc2c(OC)ccc(C[NH+]3CCC(C4C[NH2+]C4)CC3)c2c1 ZINC001235339163 1376868922 /nfs/dbraw/zinc/86/89/22/1376868922.db2.gz HYQXKDDPXNZRDA-UHFFFAOYSA-N 2 0 340.467 3.288 20 0 EGADRP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702833 1376884053 /nfs/dbraw/zinc/88/40/53/1376884053.db2.gz OKOUDUNXLUJPIJ-MRXNPFEDSA-N 2 0 344.499 3.306 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082230 1376885537 /nfs/dbraw/zinc/88/55/37/1376885537.db2.gz ZKOJQFVHVIHKQN-DLBZAZTESA-N 2 0 325.541 3.314 20 0 EGADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C2)C1 ZINC001236074260 1376931009 /nfs/dbraw/zinc/93/10/09/1376931009.db2.gz WBNMELXVDWMTHA-KRWDZBQOSA-N 2 0 345.874 3.207 20 0 EGADRP Cc1ccc(C[N@H+](C)Cc2cccc(CN3CC[NH2+]CC3)c2)cc1C ZINC001236240963 1376944224 /nfs/dbraw/zinc/94/42/24/1376944224.db2.gz OTDXLCCJCLGANN-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP CNc1ccc(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236448572 1376953531 /nfs/dbraw/zinc/95/35/31/1376953531.db2.gz USLQWJQDUXUBCC-UHFFFAOYSA-N 2 0 339.483 3.491 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1=CCCCC1 ZINC001135181264 1376953617 /nfs/dbraw/zinc/95/36/17/1376953617.db2.gz NGDIAQUULKEBDJ-SJORKVTESA-N 2 0 335.536 3.234 20 0 EGADRP COc1ccccc1C[N@H+](CCCCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700047 1376962037 /nfs/dbraw/zinc/96/20/37/1376962037.db2.gz GUOOCYNLUXAJDN-WGSAOQKQSA-N 3 0 333.520 3.286 20 0 EGADRP CCC[N@@H+](Cc1ccc(OCc2ccccc2)nc1)C[C@H]1CC[NH2+]C1 ZINC001236842960 1376966394 /nfs/dbraw/zinc/96/63/94/1376966394.db2.gz IKOIGFVXJSISHV-FQEVSTJZSA-N 2 0 339.483 3.482 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299523 1377027344 /nfs/dbraw/zinc/02/73/44/1377027344.db2.gz XLEMAFVCKGWQGN-KJMJWJSPSA-N 2 0 335.492 3.184 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001135314950 1377033554 /nfs/dbraw/zinc/03/35/54/1377033554.db2.gz JBQWTQUFFLPFKA-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C1CC1)NC(=O)CCC[NH+](C)C ZINC001135317375 1377034581 /nfs/dbraw/zinc/03/45/81/1377034581.db2.gz YGFSAJVJKAXADN-DLBZAZTESA-N 2 0 345.531 3.279 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001135337254 1377044943 /nfs/dbraw/zinc/04/49/43/1377044943.db2.gz XTMILBXLAOXBMH-ZWKOTPCHSA-N 2 0 345.531 3.284 20 0 EGADRP CC[C@@H]1CC(NC2(Cc3ccccc3F)CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246380961 1377051459 /nfs/dbraw/zinc/05/14/59/1377051459.db2.gz LJQNZPRBXUHCTD-QZTJIDSGSA-N 2 0 347.522 3.389 20 0 EGADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1(Cc2cccc(F)c2)CC[NH2+]CC1 ZINC001246380893 1377051600 /nfs/dbraw/zinc/05/16/00/1377051600.db2.gz ZAXNEQWRPQMCTN-GOSISDBHSA-N 3 0 349.538 3.448 20 0 EGADRP Fc1ccc(CC2(C[NH2+]C3Cc4ccccc4C3)CC[NH2+]CC2)cc1 ZINC001246382397 1377051662 /nfs/dbraw/zinc/05/16/62/1377051662.db2.gz ATPBIEDBMUSCNJ-UHFFFAOYSA-N 2 0 338.470 3.495 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246545211 1377052211 /nfs/dbraw/zinc/05/22/11/1377052211.db2.gz UWCAICCCSASITM-YOEHRIQHSA-N 2 0 343.298 3.026 20 0 EGADRP CC(C)[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC[NH2+]1 ZINC001246724920 1377053262 /nfs/dbraw/zinc/05/32/62/1377053262.db2.gz ZWGLDFMVYMYZAW-JYRKZWEQSA-N 2 0 343.515 3.339 20 0 EGADRP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246748063 1377054204 /nfs/dbraw/zinc/05/42/04/1377054204.db2.gz SDJPGRWDPYAYKM-OKZBNKHCSA-N 2 0 345.556 3.319 20 0 EGADRP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246749360 1377054220 /nfs/dbraw/zinc/05/42/20/1377054220.db2.gz WCIUDBJSACUOPH-GNBUJSLZSA-N 2 0 345.556 3.319 20 0 EGADRP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246821266 1377054997 /nfs/dbraw/zinc/05/49/97/1377054997.db2.gz IWOSOXJQWWYXDF-PTKMUVKOSA-N 2 0 343.519 3.161 20 0 EGADRP Fc1ccccc1CN([C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246937805 1377056436 /nfs/dbraw/zinc/05/64/36/1377056436.db2.gz NZEMPUAYOAEYJI-ROUUACIJSA-N 2 0 331.479 3.054 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375492 1377061369 /nfs/dbraw/zinc/06/13/69/1377061369.db2.gz MIYVIFFVDYKBFW-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccc(-c2noc(C[C@@H]([NH3+])CCCC[NH3+])n2)cc1C(F)(F)F ZINC001248220634 1377067308 /nfs/dbraw/zinc/06/73/08/1377067308.db2.gz GWURHFQMDKKBES-LBPRGKRZSA-N 2 0 342.365 3.063 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511169 1377105504 /nfs/dbraw/zinc/10/55/04/1377105504.db2.gz WUSKPVCQIHFUMM-UFYCRDLUSA-N 3 0 333.495 3.382 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001254509562 1377105689 /nfs/dbraw/zinc/10/56/89/1377105689.db2.gz HOLKYSHESQCQGQ-GOSISDBHSA-N 2 0 336.907 3.462 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3cc(F)ccc3F)CC2)CC1 ZINC001254510191 1377105707 /nfs/dbraw/zinc/10/57/07/1377105707.db2.gz SQTNEXNABGHLAB-QGZVFWFLSA-N 2 0 337.458 3.003 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)C(C)C ZINC001135474532 1377110058 /nfs/dbraw/zinc/11/00/58/1377110058.db2.gz SJHVTMNJKQNOPA-HXUWFJFHSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476193 1377110905 /nfs/dbraw/zinc/11/09/05/1377110905.db2.gz JFMIYGWXCAPALF-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001257100198 1377113257 /nfs/dbraw/zinc/11/32/57/1377113257.db2.gz AQIQDWJHEKISBH-CVEARBPZSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001135481759 1377113818 /nfs/dbraw/zinc/11/38/18/1377113818.db2.gz WXMPTOXPNHJHCL-CVEARBPZSA-N 2 0 339.568 3.273 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481799 1377113968 /nfs/dbraw/zinc/11/39/68/1377113968.db2.gz XQOWVCZOIAQMQK-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001265619630 1377155075 /nfs/dbraw/zinc/15/50/75/1377155075.db2.gz QIMAYXMYTJPSJJ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001265688009 1377159587 /nfs/dbraw/zinc/15/95/87/1377159587.db2.gz KSUNEYIHTLMNDD-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135612845 1377161819 /nfs/dbraw/zinc/16/18/19/1377161819.db2.gz AKZPBRFFHAXWRV-ROUUACIJSA-N 2 0 349.563 3.482 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614273 1377162360 /nfs/dbraw/zinc/16/23/60/1377162360.db2.gz PUYFEMYSOWPCGM-MSOLQXFVSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135705331 1377190144 /nfs/dbraw/zinc/19/01/44/1377190144.db2.gz AISOPHVNCNTEMA-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135742892 1377199100 /nfs/dbraw/zinc/19/91/00/1377199100.db2.gz AQIVSECFXHHQFU-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135743882 1377200107 /nfs/dbraw/zinc/20/01/07/1377200107.db2.gz RAKLIQWRDCBVIA-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135746656 1377200483 /nfs/dbraw/zinc/20/04/83/1377200483.db2.gz JBZPMNHRXHTULP-CRYBKOLWSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCCCC1 ZINC001135789247 1377211393 /nfs/dbraw/zinc/21/13/93/1377211393.db2.gz QMWRCNNNCDDHPN-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266304129 1377264491 /nfs/dbraw/zinc/26/44/91/1377264491.db2.gz JCMKQJKMAVTZRI-GOSISDBHSA-N 2 0 345.531 3.450 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961436 1377277268 /nfs/dbraw/zinc/27/72/68/1377277268.db2.gz QKKHKDZHZCLAPZ-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135975866 1377284696 /nfs/dbraw/zinc/28/46/96/1377284696.db2.gz DQYKVWRNYFCIJA-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001266364506 1377296753 /nfs/dbraw/zinc/29/67/53/1377296753.db2.gz WZFBFRXQHQONSV-RBUKOAKNSA-N 2 0 340.471 3.005 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001266632320 1377352616 /nfs/dbraw/zinc/35/26/16/1377352616.db2.gz AGTDKVMOHJFTFM-XLNTUCKNSA-N 2 0 345.531 3.448 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266754702 1377377416 /nfs/dbraw/zinc/37/74/16/1377377416.db2.gz GRDRSWQFWDMOJQ-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1ccc2nc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc2c1 ZINC001137215617 1377498621 /nfs/dbraw/zinc/49/86/21/1377498621.db2.gz DTNVYCZPASTZHF-UHFFFAOYSA-N 2 0 342.531 3.249 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1C ZINC001138137135 1377683745 /nfs/dbraw/zinc/68/37/45/1377683745.db2.gz AUWLNMJORQVJTI-UHFFFAOYSA-N 2 0 349.519 3.360 20 0 EGADRP CCCCC[NH+]1CCN(Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC001138547316 1377739841 /nfs/dbraw/zinc/73/98/41/1377739841.db2.gz JXHPMRJGAUZMKB-UHFFFAOYSA-N 2 0 326.488 3.489 20 0 EGADRP Cc1nc(C2CC[NH+](Cc3ccc(-n4ccnc4C)cc3)CC2)no1 ZINC001138547347 1377740002 /nfs/dbraw/zinc/74/00/02/1377740002.db2.gz LJEAOGRDTGDTBX-UHFFFAOYSA-N 2 0 337.427 3.252 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nn1C ZINC001138830003 1377793150 /nfs/dbraw/zinc/79/31/50/1377793150.db2.gz CMYJFDWROWCYLV-VQTJNVASSA-N 2 0 338.499 3.073 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001138850741 1377794861 /nfs/dbraw/zinc/79/48/61/1377794861.db2.gz KKBAGZJPKUPRQK-INIZCTEOSA-N 2 0 344.377 3.121 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)cc[nH+]1 ZINC001138987208 1377813956 /nfs/dbraw/zinc/81/39/56/1377813956.db2.gz NDSFKMVKXGBFMF-UHFFFAOYSA-N 2 0 325.456 3.499 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139069651 1377824437 /nfs/dbraw/zinc/82/44/37/1377824437.db2.gz SJIQMRDXUYOXJU-UHFFFAOYSA-N 2 0 341.474 3.172 20 0 EGADRP C[N@H+](C1CCOCC1)C1CCN(Cc2ccc3cccnc3c2)CC1 ZINC001139168633 1377842892 /nfs/dbraw/zinc/84/28/92/1377842892.db2.gz UCGSBPVAMZYTOW-UHFFFAOYSA-N 2 0 339.483 3.310 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc3cc(Br)ccc3[nH]1)CC2 ZINC001139185241 1377845716 /nfs/dbraw/zinc/84/57/16/1377845716.db2.gz OVBHAKQKCZWMAA-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP Cn1ccc2cc(CN3CCC([N@H+](C)C4CCOCC4)CC3)ccc21 ZINC001139189429 1377847078 /nfs/dbraw/zinc/84/70/78/1377847078.db2.gz BNMPGNLAPDSDFW-UHFFFAOYSA-N 2 0 341.499 3.254 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)Cc2cc(=O)n(C)c3ccccc23)CC1 ZINC001139762777 1377947893 /nfs/dbraw/zinc/94/78/93/1377947893.db2.gz UXPSULJIDKDFDG-UHFFFAOYSA-N 2 0 341.499 3.235 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001139840848 1377961169 /nfs/dbraw/zinc/96/11/69/1377961169.db2.gz SCFORIMTBZSSSB-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC001140094596 1378007338 /nfs/dbraw/zinc/00/73/38/1378007338.db2.gz JFGNVLLUZKWFPI-CABCVRRESA-N 2 0 331.460 3.333 20 0 EGADRP c1cc(-c2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2)ccn1 ZINC001140168202 1378024390 /nfs/dbraw/zinc/02/43/90/1378024390.db2.gz UADLZAVKWOFLSH-UHFFFAOYSA-N 2 0 330.435 3.466 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001140398452 1378057113 /nfs/dbraw/zinc/05/71/13/1378057113.db2.gz BIFYYYCVQGCSIS-UHFFFAOYSA-N 2 0 328.435 3.056 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]2C1 ZINC001140414698 1378059918 /nfs/dbraw/zinc/05/99/18/1378059918.db2.gz ZOFBGHVMLVKDKU-IAGOWNOFSA-N 2 0 342.874 3.181 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccnn2-c2ccccc2)CC1 ZINC001140527443 1378078670 /nfs/dbraw/zinc/07/86/70/1378078670.db2.gz QGSAYPFIPBNAON-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP CC[C@@H](C)N1CC[C@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716525 1378079736 /nfs/dbraw/zinc/07/97/36/1378079736.db2.gz GSGTUAGPAXMADB-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cc(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1O ZINC001140573726 1378087383 /nfs/dbraw/zinc/08/73/83/1378087383.db2.gz RMRAQKYLZCZTIU-HXUWFJFHSA-N 2 0 332.488 3.023 20 0 EGADRP CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cccc2c[nH+]cn21 ZINC001274111429 1378116319 /nfs/dbraw/zinc/11/63/19/1378116319.db2.gz ZCMCPZIVGKNAGJ-OXJNMPFZSA-N 2 0 340.471 3.090 20 0 EGADRP Cc1cc(F)ccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001140777984 1378134169 /nfs/dbraw/zinc/13/41/69/1378134169.db2.gz RIPUTJVCYHECSU-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](CCCC(F)(F)F)CC2)C1 ZINC001275165529 1378137310 /nfs/dbraw/zinc/13/73/10/1378137310.db2.gz GVQMXNMLRDAXGC-UHFFFAOYSA-N 2 0 335.458 3.069 20 0 EGADRP Cc1cc(Br)c(F)cc1CN1CC2(C1)CC[NH+](C)CC2 ZINC001140795579 1378138762 /nfs/dbraw/zinc/13/87/62/1378138762.db2.gz GPZASZMVOXXQQY-UHFFFAOYSA-N 2 0 341.268 3.424 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001275722048 1378152559 /nfs/dbraw/zinc/15/25/59/1378152559.db2.gz ZFTOVNSGGUDBQM-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP Cc1csc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276777003 1378187368 /nfs/dbraw/zinc/18/73/68/1378187368.db2.gz KWIALDQWBWPDNS-CALCHBBNSA-N 2 0 330.501 3.124 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cccc3sccc31)CC2 ZINC001276777036 1378187432 /nfs/dbraw/zinc/18/74/32/1378187432.db2.gz MRSDFRQGXIPTQC-UHFFFAOYSA-N 2 0 343.540 3.361 20 0 EGADRP Cc1cc(OC(F)(F)F)ccc1CN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001140964951 1378196518 /nfs/dbraw/zinc/19/65/18/1378196518.db2.gz AFSACUXOTWPYPO-GDBMZVCRSA-N 2 0 328.378 3.277 20 0 EGADRP COc1cccc(C[N@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001140973182 1378197184 /nfs/dbraw/zinc/19/71/84/1378197184.db2.gz FXJGIXWVMRRCAW-UHFFFAOYSA-N 2 0 339.483 3.079 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc4cccc(O)c4n3)CC2)CC1 ZINC001141023785 1378211438 /nfs/dbraw/zinc/21/14/38/1378211438.db2.gz XFCORYXMLUSBGS-UHFFFAOYSA-N 2 0 339.483 3.494 20 0 EGADRP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COCCO1 ZINC001277524314 1378230347 /nfs/dbraw/zinc/23/03/47/1378230347.db2.gz GHPSAGPDTBHGCX-FCFHUKJJSA-N 2 0 338.536 3.203 20 0 EGADRP COC(C)(C)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3scnc3C)(C1)CCC2 ZINC001277584155 1378234351 /nfs/dbraw/zinc/23/43/51/1378234351.db2.gz BHDPTCNVESAQBA-MSOLQXFVSA-N 2 0 337.533 3.401 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccccc1-c1cccs1 ZINC001141095181 1378239015 /nfs/dbraw/zinc/23/90/15/1378239015.db2.gz KTDGBCRVRBWLOW-UHFFFAOYSA-N 2 0 331.529 3.340 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(C(C)(C)C)c3)CC2)CC1 ZINC001141105764 1378240978 /nfs/dbraw/zinc/24/09/78/1378240978.db2.gz CQTAZSJAEGNWIQ-UHFFFAOYSA-N 2 0 343.559 3.444 20 0 EGADRP COc1ccc2nccc(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)c2c1 ZINC001141152640 1378251023 /nfs/dbraw/zinc/25/10/23/1378251023.db2.gz OHCSFQNLQUAOAH-UHFFFAOYSA-N 2 0 348.450 3.269 20 0 EGADRP Cc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001141192608 1378264898 /nfs/dbraw/zinc/26/48/98/1378264898.db2.gz BUTNBSOERXLIHW-QUCCMNQESA-N 2 0 339.458 3.483 20 0 EGADRP NC(=O)CCCCC[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001278218059 1378264977 /nfs/dbraw/zinc/26/49/77/1378264977.db2.gz RSBNKKARMIAWAD-FQEVSTJZSA-N 2 0 335.536 3.153 20 0 EGADRP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001141432618 1378323830 /nfs/dbraw/zinc/32/38/30/1378323830.db2.gz FBVDJMUTEUDRGF-UHFFFAOYSA-N 2 0 327.394 3.327 20 0 EGADRP COCC[N@H+](Cc1ccc2nc(C)ccc2c1)C1CCN(C)CC1 ZINC001141479072 1378332773 /nfs/dbraw/zinc/33/27/73/1378332773.db2.gz ZCVBVAGDIUEELQ-UHFFFAOYSA-N 2 0 327.472 3.086 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)OCCCO3)CC1 ZINC001142262935 1378426178 /nfs/dbraw/zinc/42/61/78/1378426178.db2.gz UCAWBRAMJICRKU-UHFFFAOYSA-N 2 0 332.488 3.400 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(N)n1 ZINC001143207777 1378559528 /nfs/dbraw/zinc/55/95/28/1378559528.db2.gz FUGBTTMHLQTPOZ-UHFFFAOYSA-N 2 0 336.483 3.070 20 0 EGADRP CC[NH+]1C[C@@H]2CN(Cc3ccc(C(F)(F)F)c(OC)c3)C[C@H]2C1 ZINC001143350053 1378585082 /nfs/dbraw/zinc/58/50/82/1378585082.db2.gz ADJYEDGNGCKSDP-ZIAGYGMSSA-N 2 0 328.378 3.098 20 0 EGADRP CC[N@H+](CCn1ccnc1)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143446910 1378597740 /nfs/dbraw/zinc/59/77/40/1378597740.db2.gz JSRXHLOWJJIQFS-UHFFFAOYSA-N 2 0 331.313 3.443 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)c(OC(F)(F)F)c1)CC2 ZINC001143447427 1378598785 /nfs/dbraw/zinc/59/87/85/1378598785.db2.gz VAUZGILFMGKQDV-UHFFFAOYSA-N 2 0 332.341 3.252 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[NH+]1CCCC1 ZINC001146338738 1378820642 /nfs/dbraw/zinc/82/06/42/1378820642.db2.gz HTEPQTSICZJPHM-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398427 1378834288 /nfs/dbraw/zinc/83/42/88/1378834288.db2.gz NZRFQYOXWVCODH-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001146399717 1378834735 /nfs/dbraw/zinc/83/47/35/1378834735.db2.gz XTTDJJMDBAAPHI-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533501 1378861319 /nfs/dbraw/zinc/86/13/19/1378861319.db2.gz GRCNLNMIEGSGBH-KAGICYHLSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)cc1 ZINC001146534613 1378862206 /nfs/dbraw/zinc/86/22/06/1378862206.db2.gz KBBCMJORKVOYPM-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)cc1 ZINC001146534616 1378862708 /nfs/dbraw/zinc/86/27/08/1378862708.db2.gz KBBCMJORKVOYPM-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP CCc1ccccc1CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593828 1378872936 /nfs/dbraw/zinc/87/29/36/1378872936.db2.gz QLTLEJQRPXSPSB-ROUUACIJSA-N 2 0 347.547 3.005 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001146593212 1378873058 /nfs/dbraw/zinc/87/30/58/1378873058.db2.gz OMUPKKYFQRKQPI-HUUCEWRRSA-N 2 0 339.911 3.053 20 0 EGADRP Cc1cccc(CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001146594253 1378874581 /nfs/dbraw/zinc/87/45/81/1378874581.db2.gz SDFPLXSTXRIDIK-OALUTQOASA-N 2 0 347.547 3.141 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001147358556 1379008312 /nfs/dbraw/zinc/00/83/12/1379008312.db2.gz GTIGITRUDMMTNF-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CC1CCC(C)CC1)c1ccccc1 ZINC001147457314 1379025419 /nfs/dbraw/zinc/02/54/19/1379025419.db2.gz DVLUUCAQZITDOL-AFMYVXGZSA-N 2 0 345.531 3.212 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001283618567 1379056849 /nfs/dbraw/zinc/05/68/49/1379056849.db2.gz VSOWZMOAPDBZOZ-XLIONFOSSA-N 2 0 347.547 3.333 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CCC1=CCCCC1)C2 ZINC001147809884 1379083546 /nfs/dbraw/zinc/08/35/46/1379083546.db2.gz KBUXYLUITJYYIN-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CCCC1CCCC1)C2 ZINC001147836608 1379089377 /nfs/dbraw/zinc/08/93/77/1379089377.db2.gz ZURWXIUQQPKUSK-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCC(C)C)C2 ZINC001148458366 1379175490 /nfs/dbraw/zinc/17/54/90/1379175490.db2.gz OMWVQQUZWUVFFZ-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001284133059 1379518306 /nfs/dbraw/zinc/51/83/06/1379518306.db2.gz UBGMBWPIDYVONA-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391834 1379925887 /nfs/dbraw/zinc/92/58/87/1379925887.db2.gz GQUSBCFOVXXBLM-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152479266 1379940524 /nfs/dbraw/zinc/94/05/24/1379940524.db2.gz DDXPYSSYCCIYFK-AZUAARDMSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(F)c1 ZINC001153720741 1380119107 /nfs/dbraw/zinc/11/91/07/1380119107.db2.gz OCQRAENYPMQYPV-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880059 1380148792 /nfs/dbraw/zinc/14/87/92/1380148792.db2.gz VOPJTQXSRZPBMC-JCMVTEASSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930626 1380156993 /nfs/dbraw/zinc/15/69/93/1380156993.db2.gz UPOIAUZXIVPTMG-KSZLIROESA-N 2 0 327.557 3.081 20 0 EGADRP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930620 1380157115 /nfs/dbraw/zinc/15/71/15/1380157115.db2.gz UEBUNQWKXBZRMB-QUCCMNQESA-N 2 0 347.547 3.216 20 0 EGADRP CCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001154034228 1380186952 /nfs/dbraw/zinc/18/69/52/1380186952.db2.gz XDPPXOQBZGHHIS-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)(C)C ZINC001154070189 1380198354 /nfs/dbraw/zinc/19/83/54/1380198354.db2.gz SIRPBWASULCIIS-MRXNPFEDSA-N 2 0 327.557 3.370 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC001154465940 1380283086 /nfs/dbraw/zinc/28/30/86/1380283086.db2.gz PAENNZJDSJNEFA-HBFSDRIKSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@H](F)C[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154482074 1380286471 /nfs/dbraw/zinc/28/64/71/1380286471.db2.gz YBZHXLOOMMPPLN-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580008 1380308965 /nfs/dbraw/zinc/30/89/65/1380308965.db2.gz KFUWOKRXQUWDOA-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844671 1380363723 /nfs/dbraw/zinc/36/37/23/1380363723.db2.gz TXHVARSUZSNHNK-NSHGMRRFSA-N 2 0 345.531 3.052 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154856464 1380366387 /nfs/dbraw/zinc/36/63/87/1380366387.db2.gz DYGOMZAWPPNQLQ-SCTDSRPQSA-N 2 0 335.536 3.044 20 0 EGADRP [NH3+][C@H]1CCC[C@H](Nc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001154987465 1380385948 /nfs/dbraw/zinc/38/59/48/1380385948.db2.gz XNJDLPPOECRRBI-OALUTQOASA-N 2 0 336.483 3.322 20 0 EGADRP COc1cc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@@H]3C)c2cc1OC ZINC001155024380 1380393461 /nfs/dbraw/zinc/39/34/61/1380393461.db2.gz HIYHCJOAOSIEDQ-DZGCQCFKSA-N 2 0 329.444 3.300 20 0 EGADRP C[N@H+](Cc1ccc(N2CC[NH+]3CCc4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001155103049 1380409050 /nfs/dbraw/zinc/40/90/50/1380409050.db2.gz IPGZBWWLUQJPQO-OAQYLSRUSA-N 2 0 348.494 3.095 20 0 EGADRP COc1cc2ccc(NC[C@]3(F)CCCC[NH2+]C3)nc2cc1OC ZINC001155116663 1380411698 /nfs/dbraw/zinc/41/16/98/1380411698.db2.gz LDVDUSKXJPJEKH-SFHVURJKSA-N 2 0 333.407 3.146 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254894 1380429255 /nfs/dbraw/zinc/42/92/55/1380429255.db2.gz IDZHFXXREWRAQS-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001155790986 1380492413 /nfs/dbraw/zinc/49/24/13/1380492413.db2.gz QEBDZEBWKRYUOK-QFBILLFUSA-N 2 0 331.504 3.061 20 0 EGADRP CCOc1cccc(CCNc2cccc(N3CCC([NH3+])CC3)[nH+]2)c1 ZINC001155871167 1380500883 /nfs/dbraw/zinc/50/08/83/1380500883.db2.gz IVLAEJHRDYRAHV-UHFFFAOYSA-N 2 0 340.471 3.062 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C[C@H](F)CC ZINC001155877847 1380501782 /nfs/dbraw/zinc/50/17/82/1380501782.db2.gz LNCWHEVYWBQQJX-IAGOWNOFSA-N 2 0 331.520 3.073 20 0 EGADRP Cc1ccccc1OCCCNc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001156034543 1380514965 /nfs/dbraw/zinc/51/49/65/1380514965.db2.gz PSPBVFHPKIEYNX-UHFFFAOYSA-N 2 0 340.471 3.199 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428574 1380575121 /nfs/dbraw/zinc/57/51/21/1380575121.db2.gz SRGATTCATPBJAW-OAGJVSPASA-N 2 0 346.519 3.334 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156476054 1380581289 /nfs/dbraw/zinc/58/12/89/1380581289.db2.gz ZVEQZSGPZFOGED-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H](C)CC(C)C)CC1(C)C ZINC001328098837 1388670385 /nfs/dbraw/zinc/67/03/85/1388670385.db2.gz QRVLPSSPYHPLBQ-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[NH+](CCCC)CCNc1nccc(C2CC[NH2+]CC2)n1 ZINC001156905961 1380722603 /nfs/dbraw/zinc/72/26/03/1380722603.db2.gz YQCMWVHWQFSJHG-UHFFFAOYSA-N 2 0 333.524 3.258 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(NCCC[N@@H+]3CCCC[C@@H]3C)[nH+]cc21 ZINC001156927476 1380730513 /nfs/dbraw/zinc/73/05/13/1380730513.db2.gz FCACKCKRSRBUMN-AWEZNQCLSA-N 2 0 344.459 3.416 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092400 1380773915 /nfs/dbraw/zinc/77/39/15/1380773915.db2.gz WNQKHTCMYDZRAQ-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157098461 1380775110 /nfs/dbraw/zinc/77/51/10/1380775110.db2.gz HEDSOVQJYLFRTJ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](CCCc1ccccc1C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113687 1380779200 /nfs/dbraw/zinc/77/92/00/1380779200.db2.gz KYBRAMQJLPZEJV-LJQANCHMSA-N 2 0 347.547 3.094 20 0 EGADRP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114253 1380779601 /nfs/dbraw/zinc/77/96/01/1380779601.db2.gz URPCSENSNGAPMB-GOSISDBHSA-N 2 0 347.547 3.477 20 0 EGADRP C[N@H+](Cc1ccc(N2CCC(C)([NH+]3CCCC3)CC2)nc1)C1CC1 ZINC001157658340 1380992097 /nfs/dbraw/zinc/99/20/97/1380992097.db2.gz OMJMWBBRPOPVGQ-UHFFFAOYSA-N 2 0 328.504 3.131 20 0 EGADRP Cc1cc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)nc2ccccc12 ZINC001157838151 1381048207 /nfs/dbraw/zinc/04/82/07/1381048207.db2.gz PNSBEXQHBNCXHW-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]CCCC1CCCC1)[NH+]1CCCCC1 ZINC001158073259 1381121104 /nfs/dbraw/zinc/12/11/04/1381121104.db2.gz LZUFKAKFLNWELT-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001158290028 1381187089 /nfs/dbraw/zinc/18/70/89/1381187089.db2.gz UFLCXJGVZOPPPH-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158336336 1381206537 /nfs/dbraw/zinc/20/65/37/1381206537.db2.gz LOIHNOJVCOEFPQ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473043 1381256539 /nfs/dbraw/zinc/25/65/39/1381256539.db2.gz JCCQVSCXXAWWHU-NHQAVIFJSA-N 2 0 349.563 3.388 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001158549346 1381292125 /nfs/dbraw/zinc/29/21/25/1381292125.db2.gz CMBVNFZABYAIDD-RTBURBONSA-N 2 0 337.552 3.364 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001328280703 1388711493 /nfs/dbraw/zinc/71/14/93/1388711493.db2.gz AEAWTLQRUBQCIO-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC(C)C ZINC001158625287 1381328274 /nfs/dbraw/zinc/32/82/74/1381328274.db2.gz MBRPPAHTZKPHRV-RBUKOAKNSA-N 2 0 339.568 3.323 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158750244 1381382888 /nfs/dbraw/zinc/38/28/88/1381382888.db2.gz HGOHGMAJOKZVGQ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC001158781392 1381396424 /nfs/dbraw/zinc/39/64/24/1381396424.db2.gz PNIONMIESFFWLU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866558 1381441468 /nfs/dbraw/zinc/44/14/68/1381441468.db2.gz RGNHHGCXPMOJRH-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909904 1381459680 /nfs/dbraw/zinc/45/96/80/1381459680.db2.gz ZTQNKAVDEXCMPR-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922926 1381464769 /nfs/dbraw/zinc/46/47/69/1381464769.db2.gz NIXAXKTWAYODSU-OLHLWXQYSA-N 2 0 337.552 3.386 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922503 1381465806 /nfs/dbraw/zinc/46/58/06/1381465806.db2.gz ALRQVYKJDFIQSH-GOSISDBHSA-N 2 0 325.541 3.220 20 0 EGADRP C[NH+]1CCN(c2ncccc2Nc2ccc([C@H]3CCC[NH2+]3)cc2)CC1 ZINC001159158168 1381680565 /nfs/dbraw/zinc/68/05/65/1381680565.db2.gz XEWOZRNOIKYKPR-GOSISDBHSA-N 2 0 337.471 3.002 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001159161707 1381687320 /nfs/dbraw/zinc/68/73/20/1381687320.db2.gz HJODLICEDDMTCB-SFHVURJKSA-N 2 0 343.531 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001159335264 1381768223 /nfs/dbraw/zinc/76/82/23/1381768223.db2.gz XEWNOLWNFMCBGH-ICSRJNTNSA-N 2 0 345.531 3.335 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccccc1 ZINC001159355548 1381775203 /nfs/dbraw/zinc/77/52/03/1381775203.db2.gz HADVDGXIRHBSLK-MOPGFXCFSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)c1F ZINC001159539231 1381821737 /nfs/dbraw/zinc/82/17/37/1381821737.db2.gz HTXGCGJPCOPKLQ-UHFFFAOYSA-N 2 0 346.425 3.180 20 0 EGADRP CC[NH+](CC)CCn1cc(Nc2ccc(C(C)(C)C[NH3+])cc2)cn1 ZINC001159579495 1381835698 /nfs/dbraw/zinc/83/56/98/1381835698.db2.gz CSAXRKDEOYZOHZ-UHFFFAOYSA-N 2 0 329.492 3.205 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1ccc(NC=CC2CC[NH2+]CC2)cc1 ZINC001159585127 1381836793 /nfs/dbraw/zinc/83/67/93/1381836793.db2.gz QMTQIMZGJURWAB-SDNWHVSQSA-N 2 0 345.487 3.110 20 0 EGADRP c1cc(C2CC[NH2+]CC2)ccc1NC1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001159600001 1381843827 /nfs/dbraw/zinc/84/38/27/1381843827.db2.gz BNYVLUGETTUFOK-OAQYLSRUSA-N 2 0 341.499 3.334 20 0 EGADRP Cc1ccc(-c2nnc(N[C@@H]([NH3+])CCC[NH3+])c3ccccc32)cc1C ZINC001159786874 1381900093 /nfs/dbraw/zinc/90/00/93/1381900093.db2.gz MEEVDFCQRKVWHR-GOSISDBHSA-N 2 0 335.455 3.349 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001159787400 1381900146 /nfs/dbraw/zinc/90/01/46/1381900146.db2.gz WJHFKJXVCUAJPQ-CYBMUJFWSA-N 2 0 347.875 3.447 20 0 EGADRP CNc1cc(Nc2cc(F)ccc2OCC2CC[NH2+]CC2)cc[nH+]1 ZINC001159889243 1381928674 /nfs/dbraw/zinc/92/86/74/1381928674.db2.gz NDPGCWNLSGSNTN-UHFFFAOYSA-N 2 0 330.407 3.384 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001159907617 1381934387 /nfs/dbraw/zinc/93/43/87/1381934387.db2.gz BUEIDUYQHSPCFE-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP [NH3+][C@@H]1CCN(c2ccccc2NC2=CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001160040574 1381976381 /nfs/dbraw/zinc/97/63/81/1381976381.db2.gz MIBUQSOHARHVOI-LJQANCHMSA-N 2 0 348.494 3.426 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160119474 1382003330 /nfs/dbraw/zinc/00/33/30/1382003330.db2.gz BVJKCIGVOTWXRM-LJQANCHMSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360120 1382082189 /nfs/dbraw/zinc/08/21/89/1382082189.db2.gz JIKXDXQWUZQIEZ-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360291 1382082962 /nfs/dbraw/zinc/08/29/62/1382082962.db2.gz NJDHEDTWKIKOPA-UYAOXDASSA-N 2 0 349.563 3.434 20 0 EGADRP OC1(c2ccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)cc2)CC[NH2+]CC1 ZINC001160374903 1382086787 /nfs/dbraw/zinc/08/67/87/1382086787.db2.gz FUYPGCYRBUCWNO-FQEVSTJZSA-N 2 0 337.467 3.426 20 0 EGADRP C[N@H+](CC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1)C1CCC1 ZINC001160380250 1382089221 /nfs/dbraw/zinc/08/92/21/1382089221.db2.gz WKDXPGJKCWAGEV-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617232 1382154320 /nfs/dbraw/zinc/15/43/20/1382154320.db2.gz IOEFEAJXIYIXAU-UHFFFAOYSA-N 2 0 340.471 3.132 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856993 1382217982 /nfs/dbraw/zinc/21/79/82/1382217982.db2.gz TXESOOFIWCTAFB-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)C[C@@H]([NH3+])CC(C)C)CC2)CC1 ZINC001161045836 1382283191 /nfs/dbraw/zinc/28/31/91/1382283191.db2.gz DMTSGGXIRNEVRK-IBGZPJMESA-N 2 0 337.552 3.111 20 0 EGADRP CN(C(=O)C[C@@H]([NH3+])c1cccc(Cl)c1Cl)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161061617 1382286173 /nfs/dbraw/zinc/28/61/73/1382286173.db2.gz HULGBSIAAODTSA-MJBXVCDLSA-N 2 0 344.286 3.112 20 0 EGADRP Cc1cc(N2CCCC2)nc(NC2CC[NH+](CC(C)(C)C)CC2)[nH+]1 ZINC001161206610 1382340748 /nfs/dbraw/zinc/34/07/48/1382340748.db2.gz QEHQISZEIPZSAC-UHFFFAOYSA-N 2 0 331.508 3.308 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001161227089 1382349007 /nfs/dbraw/zinc/34/90/07/1382349007.db2.gz UQPPEFVKHMVOLC-UHFFFAOYSA-N 2 0 347.528 3.228 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](Cc2csc(C)c2)CC1)[NH+](C)C ZINC001161238877 1382351048 /nfs/dbraw/zinc/35/10/48/1382351048.db2.gz BKOWZFZSQZOCEC-SFHVURJKSA-N 2 0 349.544 3.035 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391373 1382395941 /nfs/dbraw/zinc/39/59/41/1382395941.db2.gz QXHNSWRFSIRIHT-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)N(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161400564 1382400002 /nfs/dbraw/zinc/40/00/02/1382400002.db2.gz MEWYSGXKLPNRPP-UFYCRDLUSA-N 2 0 345.531 3.228 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001161504816 1382425899 /nfs/dbraw/zinc/42/58/99/1382425899.db2.gz STQSRJDTLLWIPP-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161518640 1382429000 /nfs/dbraw/zinc/42/90/00/1382429000.db2.gz KYDCXEIITXLBFZ-BQYQJAHWSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001161524950 1382430419 /nfs/dbraw/zinc/43/04/19/1382430419.db2.gz PZVCRTVGBIZQLO-QGZVFWFLSA-N 2 0 345.531 3.497 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161649487 1382470232 /nfs/dbraw/zinc/47/02/32/1382470232.db2.gz JUEWTLXIJNDUBC-AZUAARDMSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161678460 1382478597 /nfs/dbraw/zinc/47/85/97/1382478597.db2.gz GWENGXIBHSAWCU-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC)CC1 ZINC001161679291 1382478606 /nfs/dbraw/zinc/47/86/06/1382478606.db2.gz XYAWTBXPHGUOLS-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)C1 ZINC001161704943 1382485481 /nfs/dbraw/zinc/48/54/81/1382485481.db2.gz MEPPSXJCVQYMNQ-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1Cl ZINC001161795788 1382508039 /nfs/dbraw/zinc/50/80/39/1382508039.db2.gz PTZITCVBBSPVEB-OAHLLOKOSA-N 2 0 349.906 3.125 20 0 EGADRP CN(C)c1cccc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)[nH+]1 ZINC001161821603 1382520588 /nfs/dbraw/zinc/52/05/88/1382520588.db2.gz ZUJRDLGDAMMMDU-LJQANCHMSA-N 2 0 328.435 3.440 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001161924620 1382555142 /nfs/dbraw/zinc/55/51/42/1382555142.db2.gz GPOXUCHZTOPQIG-QZTJIDSGSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001161952070 1382566949 /nfs/dbraw/zinc/56/69/49/1382566949.db2.gz CNKIINHRCUQJRF-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952265 1382567379 /nfs/dbraw/zinc/56/73/79/1382567379.db2.gz FDKQUBCLDGNNDL-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP Nc1cc[nH+]c(NCC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)c1 ZINC001161990515 1382591775 /nfs/dbraw/zinc/59/17/75/1382591775.db2.gz RMBZXMAUJBIBEK-UHFFFAOYSA-N 2 0 330.863 3.342 20 0 EGADRP CC(C)(C)c1cc(NCCC[NH2+]CCCC[NH3+])nc(C(C)(C)C)n1 ZINC001162291388 1382723050 /nfs/dbraw/zinc/72/30/50/1382723050.db2.gz DDGCLLCCRIKLDP-UHFFFAOYSA-N 2 0 335.540 3.202 20 0 EGADRP [NH3+][C@H]1CCC[C@H](Nc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC001162394854 1382746681 /nfs/dbraw/zinc/74/66/81/1382746681.db2.gz ARELLSYXMPCNMA-KBPBESRZSA-N 2 0 340.393 3.159 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc1 ZINC001162808420 1382880275 /nfs/dbraw/zinc/88/02/75/1382880275.db2.gz JWRLSGHGLQKPCT-RYQLBKOJSA-N 2 0 334.483 3.378 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cncc([C@H]3C[NH+]4CCC3CC4)n2)c1 ZINC001162910896 1382913073 /nfs/dbraw/zinc/91/30/73/1382913073.db2.gz YANNCJYZDDWHLX-KDOFPFPSSA-N 2 0 347.466 3.249 20 0 EGADRP Cc1ccc([C@@H](CO)Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC001162948337 1382924225 /nfs/dbraw/zinc/92/42/25/1382924225.db2.gz AIKOKPMPLBRVSM-LJQANCHMSA-N 2 0 341.455 3.009 20 0 EGADRP C[N@@H+]1CC[C@@H](c2ccc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)cc2)C1 ZINC001162967282 1382930228 /nfs/dbraw/zinc/93/02/28/1382930228.db2.gz OBYZTMZUGQFCGH-QUCCMNQESA-N 2 0 343.515 3.066 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(-c2ccc(Cl)cc2)nn1 ZINC001163122651 1382970595 /nfs/dbraw/zinc/97/05/95/1382970595.db2.gz OSASHHCMRIIJEK-UHFFFAOYSA-N 2 0 346.866 3.075 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001163231620 1383001460 /nfs/dbraw/zinc/00/14/60/1383001460.db2.gz GEQIYSPWDRWRKT-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001163242521 1383003218 /nfs/dbraw/zinc/00/32/18/1383003218.db2.gz LSWQDFRCMPUCCA-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1 ZINC001163241933 1383003574 /nfs/dbraw/zinc/00/35/74/1383003574.db2.gz FMBACYUSISQKOR-XLIONFOSSA-N 2 0 343.515 3.026 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001163274657 1383010456 /nfs/dbraw/zinc/01/04/56/1383010456.db2.gz BFXZHBIRMMAUNI-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163821624 1383125670 /nfs/dbraw/zinc/12/56/70/1383125670.db2.gz NNIJBXBDALQTDS-HKUYNNGSSA-N 2 0 343.515 3.026 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001163822187 1383125705 /nfs/dbraw/zinc/12/57/05/1383125705.db2.gz UZZKUVBAPOGDNL-MOPGFXCFSA-N 2 0 343.515 3.108 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCC(F)(F)CC3)c2)CC1 ZINC001163980133 1383142833 /nfs/dbraw/zinc/14/28/33/1383142833.db2.gz BVCHQFZGGLGHFV-UHFFFAOYSA-N 2 0 325.403 3.180 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](CC)c2ccccc2)C1 ZINC001164456771 1383188654 /nfs/dbraw/zinc/18/86/54/1383188654.db2.gz ZEJPRFBTZHSAHU-WOJBJXKFSA-N 2 0 345.531 3.356 20 0 EGADRP Cc1[nH+]ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1F ZINC001164499545 1383193698 /nfs/dbraw/zinc/19/36/98/1383193698.db2.gz RRXIBBZDNFNWGS-FGTMMUONSA-N 2 0 325.431 3.274 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164515113 1383195315 /nfs/dbraw/zinc/19/53/15/1383195315.db2.gz VSZKCLHIBIFXIT-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+]1CCC(N(C)c2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC001165068871 1383221961 /nfs/dbraw/zinc/22/19/61/1383221961.db2.gz XDNPCOQZEHKZBT-UHFFFAOYSA-N 2 0 329.444 3.173 20 0 EGADRP C[N@H+]1C[C@H]2CN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C[C@H]2C1 ZINC001165148649 1383237250 /nfs/dbraw/zinc/23/72/50/1383237250.db2.gz JDYQVQWNFFNYKT-HDICACEKSA-N 2 0 332.451 3.082 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2c(F)cccc2O[C@H]2CC[NH2+]C2)c1 ZINC001165213528 1383249580 /nfs/dbraw/zinc/24/95/80/1383249580.db2.gz ORKDGBWDWQCOLI-INIZCTEOSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001165293602 1383267422 /nfs/dbraw/zinc/26/74/22/1383267422.db2.gz QKTPLPQCGGNSTG-UHFFFAOYSA-N 2 0 349.544 3.100 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)CCC1 ZINC001165464827 1383298895 /nfs/dbraw/zinc/29/88/95/1383298895.db2.gz LZKXDPFJYLMMFR-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165471856 1383300139 /nfs/dbraw/zinc/30/01/39/1383300139.db2.gz BYQUYSPCSJKPLM-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485124 1383300717 /nfs/dbraw/zinc/30/07/17/1383300717.db2.gz MRAYCMKYHOZQGI-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1)C1CC1 ZINC001165485277 1383301409 /nfs/dbraw/zinc/30/14/09/1383301409.db2.gz QWXPIFCOVMKFHX-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001165485484 1383301884 /nfs/dbraw/zinc/30/18/84/1383301884.db2.gz XISYZCJLTSBNCK-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001165718236 1383331131 /nfs/dbraw/zinc/33/11/31/1383331131.db2.gz FLDKQWVLGUHBDD-DAWZGUTISA-N 2 0 337.552 3.029 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001165728956 1383334573 /nfs/dbraw/zinc/33/45/73/1383334573.db2.gz WQLTWNITTDKZTL-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001165765127 1383342500 /nfs/dbraw/zinc/34/25/00/1383342500.db2.gz YZHMDGXMJHMTTA-LJQANCHMSA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001166009866 1383376608 /nfs/dbraw/zinc/37/66/08/1383376608.db2.gz ABXFXGABAKJXRR-WMLDXEAASA-N 2 0 339.911 3.083 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001166010954 1383377197 /nfs/dbraw/zinc/37/71/97/1383377197.db2.gz XIRWXZZZNZTRSO-WMLDXEAASA-N 2 0 339.911 3.083 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1)[NH+](CC)CC ZINC001166433008 1383422114 /nfs/dbraw/zinc/42/21/14/1383422114.db2.gz USDJXDMRTMIXEO-KRWDZBQOSA-N 2 0 339.911 3.056 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1)[NH+](CC)CC ZINC001166439992 1383422560 /nfs/dbraw/zinc/42/25/60/1383422560.db2.gz OJVYRZKABNNLDB-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)(C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001166545320 1383436414 /nfs/dbraw/zinc/43/64/14/1383436414.db2.gz LAWPTTWUEUSRCY-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166801875 1383479247 /nfs/dbraw/zinc/47/92/47/1383479247.db2.gz CNAJKTQADZLJNZ-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328782123 1388860557 /nfs/dbraw/zinc/86/05/57/1388860557.db2.gz WYHPOJIKDFGUIQ-PXNSSMCTSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167240741 1383573426 /nfs/dbraw/zinc/57/34/26/1383573426.db2.gz QZCHFQIUPZYNJY-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385660 1383618806 /nfs/dbraw/zinc/61/88/06/1383618806.db2.gz MXCUMZLXBBRZBM-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385873 1383619012 /nfs/dbraw/zinc/61/90/12/1383619012.db2.gz WNCMJMQOBCSRSU-ZMBJWTFHSA-N 2 0 349.563 3.482 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC2(C[NH2+]CC3CCC3)CC2)cc1 ZINC001167460836 1383638905 /nfs/dbraw/zinc/63/89/05/1383638905.db2.gz QZVWFEUISIHXFR-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)C(C)C ZINC001167466758 1383641151 /nfs/dbraw/zinc/64/11/51/1383641151.db2.gz YFJSWQWNWJAIKY-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CCCC)CC1 ZINC001167470894 1383642499 /nfs/dbraw/zinc/64/24/99/1383642499.db2.gz IFFCDJXQIWUBBY-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001167484029 1383647430 /nfs/dbraw/zinc/64/74/30/1383647430.db2.gz OUCGNQAQTYASSX-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167523108 1383658304 /nfs/dbraw/zinc/65/83/04/1383658304.db2.gz LPLHRAITJAKARS-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[NH+](C)CC[C@H](c1ccc(-n2cccc2C[NH3+])cc1)c1ccccn1 ZINC001167593599 1383683734 /nfs/dbraw/zinc/68/37/34/1383683734.db2.gz VEGHTIJICYLWAU-HXUWFJFHSA-N 2 0 334.467 3.415 20 0 EGADRP CC(C)(C)OC(=O)C1(Nc2cccc3c2CC[C@H]3[NH3+])CCC([NH3+])CC1 ZINC001167644191 1383697114 /nfs/dbraw/zinc/69/71/14/1383697114.db2.gz WMLFOVANPVBEJA-WGAFOPHPSA-N 2 0 345.487 3.026 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccccc2C)CC1 ZINC001167811922 1383745293 /nfs/dbraw/zinc/74/52/93/1383745293.db2.gz BRXSEZWXLKROKF-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001167824481 1383749282 /nfs/dbraw/zinc/74/92/82/1383749282.db2.gz OQVPAXFRNVLVFD-IBGZPJMESA-N 2 0 344.547 3.100 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC001167825407 1383750184 /nfs/dbraw/zinc/75/01/84/1383750184.db2.gz IPBBMIQFIUCCII-KRWDZBQOSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC001167836612 1383755114 /nfs/dbraw/zinc/75/51/14/1383755114.db2.gz FUGYYVPAYWHABO-INIZCTEOSA-N 2 0 338.927 3.368 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001167840657 1383755852 /nfs/dbraw/zinc/75/58/52/1383755852.db2.gz GYYHMGNMEIFHCH-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940910 1383774173 /nfs/dbraw/zinc/77/41/73/1383774173.db2.gz YZTBJZKILSREJW-MLHJIOFPSA-N 2 0 330.472 3.133 20 0 EGADRP CC(C)CC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167967589 1383781568 /nfs/dbraw/zinc/78/15/68/1383781568.db2.gz HRQZNTRCUHOLPT-IHWFROFDSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006206 1383794872 /nfs/dbraw/zinc/79/48/72/1383794872.db2.gz MOEOLTZYMTWROR-OPVJXMOQSA-N 2 0 343.515 3.030 20 0 EGADRP COC(=O)C12CC([NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)(C1)C2 ZINC001168012403 1383797230 /nfs/dbraw/zinc/79/72/30/1383797230.db2.gz ZOXIEDYCKJLYNU-SFQNFUMRSA-N 2 0 342.483 3.113 20 0 EGADRP CCOC(=O)CCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168018035 1383797604 /nfs/dbraw/zinc/79/76/04/1383797604.db2.gz YMLIYUWNTZXSCC-IRXDYDNUSA-N 2 0 332.488 3.361 20 0 EGADRP CCOC(=O)CCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168018033 1383797845 /nfs/dbraw/zinc/79/78/45/1383797845.db2.gz YMLIYUWNTZXSCC-IAGOWNOFSA-N 2 0 332.488 3.361 20 0 EGADRP C[C@@H]1CC([NH2+]C2CCN(CCF)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018319 1383798033 /nfs/dbraw/zinc/79/80/33/1383798033.db2.gz CUHUUSGWQRMNAZ-QZTJIDSGSA-N 2 0 347.522 3.452 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168031327 1383799858 /nfs/dbraw/zinc/79/98/58/1383799858.db2.gz ZBEMCQSCUPTORA-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP COC(=O)[C@H]1CC[C@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168037141 1383801222 /nfs/dbraw/zinc/80/12/22/1383801222.db2.gz YWWALAGSJGRYET-FPAYPSAMSA-N 2 0 344.499 3.359 20 0 EGADRP C[C@@H]1CC(N2CC[NH+]3CCC2CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062221 1383806762 /nfs/dbraw/zinc/80/67/62/1383806762.db2.gz JRKCALSXPFFDOQ-QZTJIDSGSA-N 2 0 327.516 3.208 20 0 EGADRP CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061553 1383806856 /nfs/dbraw/zinc/80/68/56/1383806856.db2.gz IRRRZGSTSZRXQI-PIKOESSRSA-N 2 0 344.499 3.313 20 0 EGADRP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCO[C@H](C)C2)c1 ZINC001168101310 1383816925 /nfs/dbraw/zinc/81/69/25/1383816925.db2.gz KQZQIIXKDMVGQH-OWYHZJEWSA-N 2 0 332.488 3.335 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CCO[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC001168120341 1383822114 /nfs/dbraw/zinc/82/21/14/1383822114.db2.gz ZQLHINCTPQVSDU-DLBZAZTESA-N 2 0 325.456 3.233 20 0 EGADRP C[NH+](C)C1CCC(NC(=[NH2+])c2ccc(Br)cc2F)CC1 ZINC001168300490 1383867429 /nfs/dbraw/zinc/86/74/29/1383867429.db2.gz XLSSRTFBNMNUSP-UHFFFAOYSA-N 2 0 342.256 3.376 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CC1 ZINC001168305697 1383868215 /nfs/dbraw/zinc/86/82/15/1383868215.db2.gz KQTYLZDSBVHHJS-UHFFFAOYSA-N 3 0 333.495 3.034 20 0 EGADRP COc1cc2c(cc1OC)C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CC2 ZINC001168312047 1383870839 /nfs/dbraw/zinc/87/08/39/1383870839.db2.gz HZZKRXCDCNKJDV-ADKAHSJRSA-N 2 0 332.488 3.024 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168313595 1383870880 /nfs/dbraw/zinc/87/08/80/1383870880.db2.gz DVXJWKYHJOQYSS-RYTJFDOTSA-N 2 0 339.524 3.189 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001168321331 1383872313 /nfs/dbraw/zinc/87/23/13/1383872313.db2.gz FWUQKBYLNZXKTC-HZGZPEGRSA-N 2 0 343.515 3.435 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335657 1383876223 /nfs/dbraw/zinc/87/62/23/1383876223.db2.gz OLFRZISAHPNMOX-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]Cc1c(C)cccc1C)C(C)C ZINC001168667300 1383964841 /nfs/dbraw/zinc/96/48/41/1383964841.db2.gz SBUGDXYMKMDRDF-HXUWFJFHSA-N 2 0 347.547 3.266 20 0 EGADRP CC[N@H+](C)C1CC[NH+]([C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168673500 1383966480 /nfs/dbraw/zinc/96/64/80/1383966480.db2.gz RPUACICXIIZLMV-ICSRJNTNSA-N 2 0 332.488 3.331 20 0 EGADRP COC(=O)C1(C)CCC([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001168762822 1383995113 /nfs/dbraw/zinc/99/51/13/1383995113.db2.gz XANPYLDZCCNMNF-VQSBYGRUSA-N 2 0 332.488 3.205 20 0 EGADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307485101 1383996643 /nfs/dbraw/zinc/99/66/43/1383996643.db2.gz CPRSNLHBDMJPQL-SXLOBPIMSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307485102 1383997007 /nfs/dbraw/zinc/99/70/07/1383997007.db2.gz CPRSNLHBDMJPQL-YSIASYRMSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CN1C(=O)OC(C)(C)C ZINC001168801696 1384010385 /nfs/dbraw/zinc/01/03/85/1384010385.db2.gz BAWAPSGCMZQEER-IRXDYDNUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001168806218 1384013976 /nfs/dbraw/zinc/01/39/76/1384013976.db2.gz KFNIBZWXQSSQDA-QAPCUYQASA-N 2 0 347.503 3.236 20 0 EGADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001308091192 1384090781 /nfs/dbraw/zinc/09/07/81/1384090781.db2.gz YETCUKNAKMDSOT-CQSZACIVSA-N 2 0 349.837 3.464 20 0 EGADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001308091189 1384090792 /nfs/dbraw/zinc/09/07/92/1384090792.db2.gz YETCUKNAKMDSOT-AWEZNQCLSA-N 2 0 349.837 3.464 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1cccc(Br)c1)C2 ZINC001169081768 1384104102 /nfs/dbraw/zinc/10/41/02/1384104102.db2.gz WAOZUFWUFXQSOF-QKDCVEJESA-N 2 0 339.277 3.043 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccsc1Br)C2 ZINC001169123857 1384110697 /nfs/dbraw/zinc/11/06/97/1384110697.db2.gz NGBUMVVPLXLTPY-XYYAHUGASA-N 2 0 329.307 3.268 20 0 EGADRP COCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC(F)(F)CC1 ZINC001169119614 1384109789 /nfs/dbraw/zinc/10/97/89/1384109789.db2.gz VSWLOZKOJJYJEA-PHZGNYQRSA-N 2 0 330.463 3.433 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001169134889 1384112004 /nfs/dbraw/zinc/11/20/04/1384112004.db2.gz UKSBMTIGKZLAOS-OALUTQOASA-N 2 0 337.552 3.031 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC001169153614 1384116292 /nfs/dbraw/zinc/11/62/92/1384116292.db2.gz KKAUWIFTFZUUAN-AERCQKQUSA-N 3 0 333.564 3.446 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCCCCCCCC[NH3+])CO1 ZINC001169350184 1384138845 /nfs/dbraw/zinc/13/88/45/1384138845.db2.gz SXOMJOAVLDFNMU-ROUUACIJSA-N 2 0 342.524 3.156 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CC[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001308740347 1384146356 /nfs/dbraw/zinc/14/63/56/1384146356.db2.gz IPAQCSYHRISJSU-HMXCVIKNSA-N 2 0 329.532 3.359 20 0 EGADRP Cc1cc(-n2ccc(C[NH3+])c2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001169716274 1384177450 /nfs/dbraw/zinc/17/74/50/1384177450.db2.gz GPDPCWCLAJKRDS-UHFFFAOYSA-N 2 0 332.451 3.198 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729986 1384179758 /nfs/dbraw/zinc/17/97/58/1384179758.db2.gz YBORXZNHBWYWCE-QUCCMNQESA-N 2 0 345.531 3.391 20 0 EGADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169755588 1384183014 /nfs/dbraw/zinc/18/30/14/1384183014.db2.gz CUVJGDJAKJTMES-UUKMXZOPSA-N 2 0 343.515 3.001 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169807971 1384187659 /nfs/dbraw/zinc/18/76/59/1384187659.db2.gz AHNHKBTYAJBKRJ-LPHOPBHVSA-N 2 0 349.494 3.015 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169924555 1384199218 /nfs/dbraw/zinc/19/92/18/1384199218.db2.gz MWELSPYLKBISJX-VAMGGRTRSA-N 2 0 344.499 3.444 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169949037 1384202900 /nfs/dbraw/zinc/20/29/00/1384202900.db2.gz ZIANLJFSOXQVFR-SFHVURJKSA-N 2 0 345.531 3.272 20 0 EGADRP COCCN1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078467 1384229969 /nfs/dbraw/zinc/22/99/69/1384229969.db2.gz SGMALQQQGRPMDL-PMACEKPBSA-N 2 0 340.552 3.262 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001170222000 1384268618 /nfs/dbraw/zinc/26/86/18/1384268618.db2.gz HQHJQPKFYZKNRK-QGZVFWFLSA-N 2 0 347.547 3.483 20 0 EGADRP CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001170481893 1384327612 /nfs/dbraw/zinc/32/76/12/1384327612.db2.gz XTKXBZRFYAEWDB-PZJWPPBQSA-N 2 0 345.531 3.306 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527492 1384335213 /nfs/dbraw/zinc/33/52/13/1384335213.db2.gz YKHIFJBTDFPQPJ-NXWXRZEISA-N 2 0 348.462 3.239 20 0 EGADRP COc1cccc(CC2([NH3+])CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)c1 ZINC001170738390 1384375422 /nfs/dbraw/zinc/37/54/22/1384375422.db2.gz LNODPWVXBGYEQQ-LUPIEILUSA-N 2 0 328.500 3.466 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170817103 1384390837 /nfs/dbraw/zinc/39/08/37/1384390837.db2.gz KVJBFKKPLIZNBQ-FXAWDEMLSA-N 2 0 347.547 3.093 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861337 1384400976 /nfs/dbraw/zinc/40/09/76/1384400976.db2.gz CQJVBUQMOMIMRJ-BRWVUGGUSA-N 2 0 325.541 3.027 20 0 EGADRP COc1c(Br)cc(C(C)C)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170905157 1384408552 /nfs/dbraw/zinc/40/85/52/1384408552.db2.gz TUQYMDFJSDQHSM-CYBMUJFWSA-N 2 0 330.270 3.017 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170976575 1384422270 /nfs/dbraw/zinc/42/22/70/1384422270.db2.gz VOEHHBCQCQTPFL-GOSISDBHSA-N 2 0 342.458 3.413 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001313445463 1384424096 /nfs/dbraw/zinc/42/40/96/1384424096.db2.gz WDCHMJAPVFJWNN-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001171175082 1384461282 /nfs/dbraw/zinc/46/12/82/1384461282.db2.gz PVWZPRVELCWDLT-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001316606005 1384474266 /nfs/dbraw/zinc/47/42/66/1384474266.db2.gz MEXQUMBCDYDCMN-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171238896 1384477099 /nfs/dbraw/zinc/47/70/99/1384477099.db2.gz ZBYSRTODFRQSIO-RTBURBONSA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248414 1384478342 /nfs/dbraw/zinc/47/83/42/1384478342.db2.gz UOZSGXNTJRKUDT-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254460 1384479682 /nfs/dbraw/zinc/47/96/82/1384479682.db2.gz RMBZJJJVKJQUGG-QZTJIDSGSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001171311182 1384491850 /nfs/dbraw/zinc/49/18/50/1384491850.db2.gz OFYATFPIFNUEPL-KRWDZBQOSA-N 2 0 343.515 3.063 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171411957 1384516370 /nfs/dbraw/zinc/51/63/70/1384516370.db2.gz PWRHWIIHCHNDHC-INIZCTEOSA-N 2 0 335.511 3.158 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439084 1384524144 /nfs/dbraw/zinc/52/41/44/1384524144.db2.gz WBSPYIRXABMEJC-RBUKOAKNSA-N 2 0 346.490 3.258 20 0 EGADRP Fc1cc2c(cc1F)C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171465121 1384530359 /nfs/dbraw/zinc/53/03/59/1384530359.db2.gz GHYWPYOOWPHRJE-QGZVFWFLSA-N 2 0 343.421 3.476 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171546568 1384558910 /nfs/dbraw/zinc/55/89/10/1384558910.db2.gz LHOADPNECRRTNA-AEFFLSMTSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](COCc1ccccc1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554623 1384560892 /nfs/dbraw/zinc/56/08/92/1384560892.db2.gz KYOUHYIOXLOOSF-LJQANCHMSA-N 2 0 339.483 3.447 20 0 EGADRP Cc1cc(O[C@@H]2CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)ncn1 ZINC001171640638 1384589514 /nfs/dbraw/zinc/58/95/14/1384589514.db2.gz HVYBUKDNAMFYMK-QGZVFWFLSA-N 2 0 346.519 3.280 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674661 1384598515 /nfs/dbraw/zinc/59/85/15/1384598515.db2.gz PZYHOMZOHGNOLA-SFHVURJKSA-N 2 0 347.547 3.380 20 0 EGADRP C[C@@H]1C[C@H](n2nc(-c3ccncc3)cc2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171733983 1384619470 /nfs/dbraw/zinc/61/94/70/1384619470.db2.gz KVMKHJFKESZHGB-UZLBHIALSA-N 2 0 347.466 3.239 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[NH+](C)CC23CCCC3)C[N@@H+]1Cc1ccccc1 ZINC001171767546 1384630629 /nfs/dbraw/zinc/63/06/29/1384630629.db2.gz PAUDEAYFKGRAQD-UYAOXDASSA-N 2 0 327.516 3.210 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171812511 1384647058 /nfs/dbraw/zinc/64/70/58/1384647058.db2.gz QGJKGDHZZXYJOY-BJWYYQGGSA-N 2 0 341.540 3.484 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316878803 1384663625 /nfs/dbraw/zinc/66/36/25/1384663625.db2.gz JBESDAZIOUKFCG-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171865489 1384665422 /nfs/dbraw/zinc/66/54/22/1384665422.db2.gz CNFFEGFVFQUKRE-IBGZPJMESA-N 2 0 343.515 3.145 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171871818 1384666545 /nfs/dbraw/zinc/66/65/45/1384666545.db2.gz CTXCFJYNBSNPRE-XEVCZEQESA-N 2 0 343.515 3.144 20 0 EGADRP CN1CC[C@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988046 1384705247 /nfs/dbraw/zinc/70/52/47/1384705247.db2.gz ODUWRYREXXRGHS-XUVXKRRUSA-N 2 0 327.516 3.066 20 0 EGADRP CCOC(=O)[C@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986984 1384706683 /nfs/dbraw/zinc/70/66/83/1384706683.db2.gz OCBXUXMPUBCQHV-OALUTQOASA-N 2 0 344.499 3.315 20 0 EGADRP C[C@@]1(O)C[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172066358 1384717243 /nfs/dbraw/zinc/71/72/43/1384717243.db2.gz WDDIBCCMWSWDPU-WARAAXDBSA-N 2 0 328.500 3.323 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001316944940 1384717678 /nfs/dbraw/zinc/71/76/78/1384717678.db2.gz WFETUXXJFUZZRE-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001316948354 1384719295 /nfs/dbraw/zinc/71/92/95/1384719295.db2.gz RHHLFWHARPQDLE-HXUWFJFHSA-N 2 0 345.531 3.175 20 0 EGADRP C[NH+](C)[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172080842 1384722715 /nfs/dbraw/zinc/72/27/15/1384722715.db2.gz YAYIPOXZASHBLY-JSXRDJHFSA-N 2 0 327.516 3.208 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098182 1384725662 /nfs/dbraw/zinc/72/56/62/1384725662.db2.gz BJVBILOGSZJMBA-BJWYYQGGSA-N 2 0 327.472 3.339 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C2 ZINC001172105940 1384728383 /nfs/dbraw/zinc/72/83/83/1384728383.db2.gz LKUZHKOXLSFWQG-PHZGNYQRSA-N 2 0 339.524 3.142 20 0 EGADRP CN(CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172108186 1384728443 /nfs/dbraw/zinc/72/84/43/1384728443.db2.gz RJFWUUBPQXCTMV-OSYLJGHBSA-N 2 0 339.524 3.238 20 0 EGADRP Cc1ccnc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)c1 ZINC001172109576 1384729099 /nfs/dbraw/zinc/72/90/99/1384729099.db2.gz FJFNJYQCQXHINF-LDLYASANSA-N 2 0 343.515 3.043 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@@H](CCN3Cc3ccccc3)C1)C2 ZINC001172123920 1384733845 /nfs/dbraw/zinc/73/38/45/1384733845.db2.gz HQWJDOGIHCNNHL-ITBHCLRTSA-N 2 0 339.527 3.208 20 0 EGADRP CC(=O)OC[C@H]1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172130419 1384738036 /nfs/dbraw/zinc/73/80/36/1384738036.db2.gz PBFIOCKENPIRHD-VNTMZGSJSA-N 2 0 348.531 3.447 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1)C1CCCCC1 ZINC001316981902 1384739485 /nfs/dbraw/zinc/73/94/85/1384739485.db2.gz RFLCCZBPOFYDGP-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172197417 1384744984 /nfs/dbraw/zinc/74/49/84/1384744984.db2.gz KSVXXCPNXJCNJG-GOSISDBHSA-N 2 0 339.508 3.134 20 0 EGADRP [NH3+]C1(Cc2ccc(Cl)cc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172221582 1384750829 /nfs/dbraw/zinc/75/08/29/1384750829.db2.gz WIXXPNIBJBXCRO-AYHJJNSGSA-N 2 0 334.891 3.386 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172227253 1384752155 /nfs/dbraw/zinc/75/21/55/1384752155.db2.gz SCBAFLNFYXSELN-RZQVSUQPSA-N 2 0 326.484 3.150 20 0 EGADRP COCCC[NH+]1CCC(n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])CC1 ZINC001172246700 1384754843 /nfs/dbraw/zinc/75/48/43/1384754843.db2.gz PSEAALJOJNNRQY-INIZCTEOSA-N 2 0 342.487 3.243 20 0 EGADRP COCCC[NH+]1CCC(n2c3ccc(C)cc3c3c2CC[NH2+]C3)CC1 ZINC001172255450 1384756853 /nfs/dbraw/zinc/75/68/53/1384756853.db2.gz ROAOOPLYTGFLLN-UHFFFAOYSA-N 2 0 341.499 3.269 20 0 EGADRP CC(C)COCC[C@@H](C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172468047 1384799071 /nfs/dbraw/zinc/79/90/71/1384799071.db2.gz VEDHYZNORZAGHT-QZTJIDSGSA-N 2 0 340.552 3.449 20 0 EGADRP [NH3+]CCCOCCOCCC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172543570 1384810055 /nfs/dbraw/zinc/81/00/55/1384810055.db2.gz RGASWFCWYYQFFD-WOJBJXKFSA-N 2 0 334.504 3.075 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001317038550 1384810422 /nfs/dbraw/zinc/81/04/22/1384810422.db2.gz KKCSSDMGNZSKAB-SFHVURJKSA-N 2 0 339.568 3.325 20 0 EGADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172668452 1384830873 /nfs/dbraw/zinc/83/08/73/1384830873.db2.gz YKSONKNDGYFCOT-UFYCRDLUSA-N 2 0 343.515 3.158 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001172769114 1384847423 /nfs/dbraw/zinc/84/74/23/1384847423.db2.gz AHGTWEKBQIXNBO-RTBURBONSA-N 2 0 332.488 3.002 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001172794729 1384853923 /nfs/dbraw/zinc/85/39/23/1384853923.db2.gz GATMESQDFFATMT-YDZRNGNQSA-N 2 0 336.520 3.447 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172972229 1384893903 /nfs/dbraw/zinc/89/39/03/1384893903.db2.gz UBJWIKUIGUVEIR-MRXNPFEDSA-N 2 0 329.529 3.296 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173051878 1384901560 /nfs/dbraw/zinc/90/15/60/1384901560.db2.gz AKIYTXSGDQBFDN-ZGRYLRDCSA-N 2 0 339.524 3.272 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001173108328 1384916028 /nfs/dbraw/zinc/91/60/28/1384916028.db2.gz BQPDLGIBDIKPHO-PRLABOORSA-N 2 0 336.442 3.275 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CC1 ZINC001173108123 1384916414 /nfs/dbraw/zinc/91/64/14/1384916414.db2.gz YDDKNBYOSRZCHW-LEOMRAHMSA-N 2 0 349.906 3.446 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2C3CCC(CC3)[C@@H]2C(=O)OC)CC1 ZINC001173111197 1384916976 /nfs/dbraw/zinc/91/69/76/1384916976.db2.gz ZEZRZKKRNNBOBH-DGGYFRSASA-N 2 0 336.520 3.207 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)CC1 ZINC001173111308 1384917080 /nfs/dbraw/zinc/91/70/80/1384917080.db2.gz BFDWLPKDVBLBJB-SOAGJPPSSA-N 2 0 335.536 3.116 20 0 EGADRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173125917 1384919471 /nfs/dbraw/zinc/91/94/71/1384919471.db2.gz JKLYQGRWRNEJGS-MRXNPFEDSA-N 2 0 345.487 3.176 20 0 EGADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2COc3cccc(OC)c3C2)CC1 ZINC001173160215 1384926808 /nfs/dbraw/zinc/92/68/08/1384926808.db2.gz KLHNKFRCQHEZIL-ZACQAIPSSA-N 2 0 332.488 3.241 20 0 EGADRP CCSC[C@@H](C)[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001173293630 1384952684 /nfs/dbraw/zinc/95/26/84/1384952684.db2.gz GGFQFJDAVJEHOK-BHIYHBOVSA-N 2 0 339.593 3.056 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCCC[C@H](CCC[NH3+])C1)CC2 ZINC001173613980 1384988605 /nfs/dbraw/zinc/98/86/05/1384988605.db2.gz MLFMJVFMODQGIJ-BHASAWDCSA-N 2 0 336.520 3.339 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001173647956 1384995388 /nfs/dbraw/zinc/99/53/88/1384995388.db2.gz CQFRHABIVRPADA-WMZOPIPTSA-N 2 0 336.520 3.495 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)C1 ZINC001173664982 1384999541 /nfs/dbraw/zinc/99/95/41/1384999541.db2.gz QMSYBTCKUACIPY-FUHWJXTLSA-N 2 0 345.487 3.070 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C(C)C)CC2)cc1 ZINC001173716435 1385007529 /nfs/dbraw/zinc/00/75/29/1385007529.db2.gz XZCZEJOJYDREKB-MRXNPFEDSA-N 2 0 332.488 3.114 20 0 EGADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CC1CCCCC1 ZINC001317255104 1385025524 /nfs/dbraw/zinc/02/55/24/1385025524.db2.gz LGYKSSVDBJCPTJ-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP COc1cc(Nc2cc[nH+]cc2C)ccc1OCC[NH+]1CCCC1 ZINC001174539018 1385117590 /nfs/dbraw/zinc/11/75/90/1385117590.db2.gz XZVVEVZZAOYZLN-UHFFFAOYSA-N 2 0 327.428 3.039 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317448348 1385148672 /nfs/dbraw/zinc/14/86/72/1385148672.db2.gz KKSBEDXGSBRHEA-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)C1 ZINC001174881180 1385164086 /nfs/dbraw/zinc/16/40/86/1385164086.db2.gz IUEHDMDHYLYVNX-RRUDCUFVSA-N 2 0 343.943 3.126 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C)C1 ZINC001174882881 1385164935 /nfs/dbraw/zinc/16/49/35/1385164935.db2.gz XOPJIEBZRVMDCR-RBUKOAKNSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905905 1385168425 /nfs/dbraw/zinc/16/84/25/1385168425.db2.gz PLEBLFAKRTWDFE-HBFSDRIKSA-N 2 0 349.563 3.482 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949375 1385173506 /nfs/dbraw/zinc/17/35/06/1385173506.db2.gz QTVFXPCDEUUQPT-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175041748 1385185737 /nfs/dbraw/zinc/18/57/37/1385185737.db2.gz RBWNKDZLAZJYCW-QGZVFWFLSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)CC[NH+](C)C ZINC001175049938 1385186433 /nfs/dbraw/zinc/18/64/33/1385186433.db2.gz ZWBZQNCHDAQRDH-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175049263 1385186506 /nfs/dbraw/zinc/18/65/06/1385186506.db2.gz RNMXBNDZCDVPMY-GOSISDBHSA-N 2 0 333.520 3.020 20 0 EGADRP CCc1ccc(CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001175049094 1385186518 /nfs/dbraw/zinc/18/65/18/1385186518.db2.gz OCGWEOXARJKYGT-SFHVURJKSA-N 2 0 347.547 3.008 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H](CC)c1ccccc1 ZINC001317511970 1385223309 /nfs/dbraw/zinc/22/33/09/1385223309.db2.gz GHALTFFXTVPPTH-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256953 1385230836 /nfs/dbraw/zinc/23/08/36/1385230836.db2.gz RCPUXKRQMDLXGT-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262406 1385233768 /nfs/dbraw/zinc/23/37/68/1385233768.db2.gz GFRGISPVBUQRAV-ZWKOTPCHSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC001175316440 1385250020 /nfs/dbraw/zinc/25/00/20/1385250020.db2.gz JLCHPNRFQBWMOU-QUCCMNQESA-N 2 0 347.547 3.408 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001175315546 1385250330 /nfs/dbraw/zinc/25/03/30/1385250330.db2.gz GKCXUKMLLCZTDU-DGZYFTDXSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001175317529 1385251128 /nfs/dbraw/zinc/25/11/28/1385251128.db2.gz OIEHPHDWUDKPLS-HKUYNNGSSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](C)c1ccc(F)cc1 ZINC001317543585 1385286429 /nfs/dbraw/zinc/28/64/29/1385286429.db2.gz XXDUAVBCGBHFLO-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001317682716 1385392340 /nfs/dbraw/zinc/39/23/40/1385392340.db2.gz QTMGEBHONCQKOE-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)C(C)C ZINC001175745667 1385392969 /nfs/dbraw/zinc/39/29/69/1385392969.db2.gz FHFVDPKGQAVGPU-AGVIVAOSSA-N 2 0 345.959 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001175769302 1385400044 /nfs/dbraw/zinc/40/00/44/1385400044.db2.gz QCIQZZWBWBRURV-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175968073 1385448062 /nfs/dbraw/zinc/44/80/62/1385448062.db2.gz UONRTJDLHBTWFJ-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176024522 1385463900 /nfs/dbraw/zinc/46/39/00/1385463900.db2.gz PEVATYLTQSLVDC-ROUUACIJSA-N 2 0 327.557 3.275 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176024739 1385464348 /nfs/dbraw/zinc/46/43/48/1385464348.db2.gz RENHJCARIMFRKH-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176025199 1385465129 /nfs/dbraw/zinc/46/51/29/1385465129.db2.gz ZBZPSRKZFULLJL-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165403 1385500616 /nfs/dbraw/zinc/50/06/16/1385500616.db2.gz KPELKDJVZWAFJY-WMZOPIPTSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192375 1385507106 /nfs/dbraw/zinc/50/71/06/1385507106.db2.gz JACHQYKJEUPRQI-KRWDZBQOSA-N 2 0 348.535 3.462 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231226 1385521523 /nfs/dbraw/zinc/52/15/23/1385521523.db2.gz QRNHEHUXEJKJDI-HPFMTEOYSA-N 2 0 325.541 3.339 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001317955429 1385585461 /nfs/dbraw/zinc/58/54/61/1385585461.db2.gz ORERBYGRZBUYMG-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001318214543 1385629528 /nfs/dbraw/zinc/62/95/28/1385629528.db2.gz GRMSHEXMHLDOJZ-WDSOQIARSA-N 2 0 343.515 3.011 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176575255 1385630322 /nfs/dbraw/zinc/63/03/22/1385630322.db2.gz YMOXJNKECHSWFN-SFHVURJKSA-N 2 0 345.531 3.109 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001318301293 1385644711 /nfs/dbraw/zinc/64/47/11/1385644711.db2.gz OSWBNYZIINPBQC-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1c(C)cccc1C ZINC001698611944 1406241518 /nfs/dbraw/zinc/24/15/18/1406241518.db2.gz ASZNDAPOJXJMKO-GOSISDBHSA-N 2 0 347.547 3.266 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753363 1385684053 /nfs/dbraw/zinc/68/40/53/1385684053.db2.gz GTWCYTFFTLEXHY-RTBURBONSA-N 2 0 339.568 3.418 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001176884539 1385730579 /nfs/dbraw/zinc/73/05/79/1385730579.db2.gz MDIBEUVOKTWAOD-QCDXTXTGSA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001176930381 1385746339 /nfs/dbraw/zinc/74/63/39/1385746339.db2.gz ISUGXBPCDAPXQT-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001176938708 1385748520 /nfs/dbraw/zinc/74/85/20/1385748520.db2.gz WHBUFNWBORFKHA-SFHVURJKSA-N 2 0 331.504 3.028 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001176991991 1385765697 /nfs/dbraw/zinc/76/56/97/1385765697.db2.gz GVHRJWRQKNSHKP-HKUYNNGSSA-N 2 0 331.504 3.026 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001177357106 1385928158 /nfs/dbraw/zinc/92/81/58/1385928158.db2.gz WBFRNAPOCYNFIO-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001177415709 1385948408 /nfs/dbraw/zinc/94/84/08/1385948408.db2.gz IZBWIYGVOWTBLP-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)C1 ZINC001177467238 1385967699 /nfs/dbraw/zinc/96/76/99/1385967699.db2.gz XOPODZOTVPRBIS-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001178045513 1386115089 /nfs/dbraw/zinc/11/50/89/1386115089.db2.gz NDEBUZMECPDGGL-CWUFLNSKSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001319532671 1386164675 /nfs/dbraw/zinc/16/46/75/1386164675.db2.gz QYDLLCIEQCPJQZ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178471868 1386227164 /nfs/dbraw/zinc/22/71/64/1386227164.db2.gz MGDRXYZWGUVUEV-SFHVURJKSA-N 2 0 325.541 3.316 20 0 EGADRP OC[C@@H](CC1CCCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001178571137 1386252336 /nfs/dbraw/zinc/25/23/36/1386252336.db2.gz JDZDWJJBOLQAJH-HXUWFJFHSA-N 2 0 346.515 3.192 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178702859 1386284062 /nfs/dbraw/zinc/28/40/62/1386284062.db2.gz XQTMGXXKVURGGT-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707713 1386285338 /nfs/dbraw/zinc/28/53/38/1386285338.db2.gz NSCUUPQABXEWRE-LNLFQRSKSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001319810707 1386308983 /nfs/dbraw/zinc/30/89/83/1386308983.db2.gz SCMBVXPEBNVDES-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810352 1386313730 /nfs/dbraw/zinc/31/37/30/1386313730.db2.gz CUQPKDBKVKQLAR-RTBURBONSA-N 2 0 335.536 3.236 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001178815872 1386315701 /nfs/dbraw/zinc/31/57/01/1386315701.db2.gz MUCXYHUSYHIIMK-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001178832792 1386321941 /nfs/dbraw/zinc/32/19/41/1386321941.db2.gz KZXFVQLQAZNLLG-UYAOXDASSA-N 2 0 345.531 3.498 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCC2 ZINC001178916646 1386347852 /nfs/dbraw/zinc/34/78/52/1386347852.db2.gz LBCCCWGFIJDPFB-WOJBJXKFSA-N 2 0 344.499 3.208 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178921005 1386349575 /nfs/dbraw/zinc/34/95/75/1386349575.db2.gz QQMRVLMYVKWUQQ-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178921070 1386349922 /nfs/dbraw/zinc/34/99/22/1386349922.db2.gz VHCLDQUHXFFXPW-SYJIQKIWSA-N 2 0 343.943 3.126 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179138545 1386408799 /nfs/dbraw/zinc/40/87/99/1386408799.db2.gz ADEKHGZAJSCWED-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179146143 1386410362 /nfs/dbraw/zinc/41/03/62/1386410362.db2.gz QFKCKTVYYBUNBF-MIGHCRNESA-N 2 0 340.471 3.273 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001179145970 1386410419 /nfs/dbraw/zinc/41/04/19/1386410419.db2.gz ICDPLLNQJORFGB-YJBOKZPZSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179233891 1386428494 /nfs/dbraw/zinc/42/84/94/1386428494.db2.gz FHNRWJQQOXFRDP-YTQUADARSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001320007826 1386448660 /nfs/dbraw/zinc/44/86/60/1386448660.db2.gz XKPSXGHNZSLHJQ-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001179403727 1386476814 /nfs/dbraw/zinc/47/68/14/1386476814.db2.gz SYBLEDOEGPVANY-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179410059 1386478600 /nfs/dbraw/zinc/47/86/00/1386478600.db2.gz YMGNDVGYYFXKGR-XSLAGTTESA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001179538909 1386510574 /nfs/dbraw/zinc/51/05/74/1386510574.db2.gz LCBJDNZCAFJJPF-UWVAXJGDSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179546581 1386511247 /nfs/dbraw/zinc/51/12/47/1386511247.db2.gz WYTMBSOFSVTXGT-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC1CC(C)C1)[NH+](CC)CC ZINC001179565281 1386516008 /nfs/dbraw/zinc/51/60/08/1386516008.db2.gz OXKICOFVWMOVOM-ACBHZAAOSA-N 2 0 339.568 3.419 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001179590241 1386524735 /nfs/dbraw/zinc/52/47/35/1386524735.db2.gz FIIIJSHRECCQJP-ROUUACIJSA-N 2 0 325.541 3.031 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001320155521 1386540073 /nfs/dbraw/zinc/54/00/73/1386540073.db2.gz SYXDJOKJHFSNKQ-WOJBJXKFSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001320169275 1386545971 /nfs/dbraw/zinc/54/59/71/1386545971.db2.gz CNHCBICJOQFVQI-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H]1C ZINC001179748908 1386571291 /nfs/dbraw/zinc/57/12/91/1386571291.db2.gz PKRNLLRHFQMNGR-ROUUACIJSA-N 2 0 343.531 3.217 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001179779407 1386582573 /nfs/dbraw/zinc/58/25/73/1386582573.db2.gz OCIYVQJGCJMOBM-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179792369 1386587610 /nfs/dbraw/zinc/58/76/10/1386587610.db2.gz IEBGMCPPLFRDLQ-MOPGFXCFSA-N 2 0 337.552 3.460 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C(C)C ZINC001179842905 1386604660 /nfs/dbraw/zinc/60/46/60/1386604660.db2.gz FMBZLTZHARTGDW-WFTPILKQSA-N 2 0 345.959 3.372 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001179850829 1386607600 /nfs/dbraw/zinc/60/76/00/1386607600.db2.gz NISHGNMQJXIZIR-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001179897816 1386621829 /nfs/dbraw/zinc/62/18/29/1386621829.db2.gz YPRJIIYOAIAYFJ-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1cccc(F)c1 ZINC001179959133 1386649089 /nfs/dbraw/zinc/64/90/89/1386649089.db2.gz ZLYLJFHMWFORDW-BXWFABGCSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCCCCC[NH2+]C/C=C\Cl)CC1 ZINC001179965342 1386651212 /nfs/dbraw/zinc/65/12/12/1386651212.db2.gz ZJUDRFUPXQQHSE-YFHOEESVSA-N 2 0 343.943 3.126 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)[C@@H]1C ZINC001179978966 1386656590 /nfs/dbraw/zinc/65/65/90/1386656590.db2.gz NWDQNIKUNZSZPB-IHPCNDPISA-N 2 0 345.531 3.449 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)[C@@H]1C ZINC001179983358 1386657892 /nfs/dbraw/zinc/65/78/92/1386657892.db2.gz XQRRNLCJFKQSFD-GJYPPUQNSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001179988451 1386660056 /nfs/dbraw/zinc/66/00/56/1386660056.db2.gz HSKBJZAUVKUFNV-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001180095520 1386696295 /nfs/dbraw/zinc/69/62/95/1386696295.db2.gz CZWNKCOFUQFQRO-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1C ZINC001180123276 1386704106 /nfs/dbraw/zinc/70/41/06/1386704106.db2.gz DZIYRUCCVZIZHK-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180212031 1386734866 /nfs/dbraw/zinc/73/48/66/1386734866.db2.gz XYRSHNMKOOLELF-FHWLQOOXSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1F ZINC001180264989 1386750082 /nfs/dbraw/zinc/75/00/82/1386750082.db2.gz MDQYFLOCINFJEY-DLBZAZTESA-N 2 0 349.494 3.105 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001180274822 1386751981 /nfs/dbraw/zinc/75/19/81/1386751981.db2.gz XNGYXZPWKIWSNZ-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+]Cc1ccc(CF)cc1 ZINC001180274642 1386752261 /nfs/dbraw/zinc/75/22/61/1386752261.db2.gz OPRIYBDGAIXNMJ-UHFFFAOYSA-N 2 0 349.494 3.018 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180357117 1386773281 /nfs/dbraw/zinc/77/32/81/1386773281.db2.gz MGECRQITGPYKRH-UHFFFAOYSA-N 2 0 345.531 3.329 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001180372690 1386777590 /nfs/dbraw/zinc/77/75/90/1386777590.db2.gz HOTQYCABPNNZHC-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C(=O)OC)c2)c1 ZINC001321089072 1386806690 /nfs/dbraw/zinc/80/66/90/1386806690.db2.gz JEEDBAXQXORFRW-UHFFFAOYSA-N 2 0 326.440 3.215 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001321719646 1386964842 /nfs/dbraw/zinc/96/48/42/1386964842.db2.gz AOLLGYWNPVNNPB-CQSZACIVSA-N 2 0 347.547 3.165 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCc2ccccc2Br)CC1 ZINC001181428171 1386992776 /nfs/dbraw/zinc/99/27/76/1386992776.db2.gz TZLOSAIMLBWRRT-UHFFFAOYSA-N 2 0 325.294 3.454 20 0 EGADRP C[C@@H](C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)CC1CCCCC1 ZINC001182109743 1387106255 /nfs/dbraw/zinc/10/62/55/1387106255.db2.gz SIYIEBDOUKFSIF-GOSISDBHSA-N 2 0 337.552 3.175 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)NCC[NH+](CC)CC)c1ccccc1 ZINC001182231584 1387127266 /nfs/dbraw/zinc/12/72/66/1387127266.db2.gz KHORTANFHSNIPF-IBGZPJMESA-N 2 0 333.520 3.308 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC001182234494 1387127896 /nfs/dbraw/zinc/12/78/96/1387127896.db2.gz MVXSPMDAGXQZSB-HXUWFJFHSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CCC[NH+](C)C)cc1 ZINC001322353701 1387167171 /nfs/dbraw/zinc/16/71/71/1387167171.db2.gz GZKRTFMOXMOCQQ-UXHICEINSA-N 2 0 345.531 3.101 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001329559017 1389155632 /nfs/dbraw/zinc/15/56/32/1389155632.db2.gz GYTUGBHPLJGINM-UHFFFAOYSA-N 2 0 340.471 3.123 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001329601712 1389177880 /nfs/dbraw/zinc/17/78/80/1389177880.db2.gz VVWKTIFLTXYUHZ-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c[nH+]cn3c2C)c1 ZINC001337336883 1389309497 /nfs/dbraw/zinc/30/94/97/1389309497.db2.gz PQORNNRMNRSONU-UHFFFAOYSA-N 2 0 336.439 3.024 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H](C)C[C@H]2n2cncn2)CC1 ZINC001330354867 1389395754 /nfs/dbraw/zinc/39/57/54/1389395754.db2.gz QEYVVHGUKIRFKG-BHIYHBOVSA-N 2 0 333.524 3.108 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(C)c1)C(C)C ZINC001338887506 1389804812 /nfs/dbraw/zinc/80/48/12/1389804812.db2.gz KMHSMLPDYISLME-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC001332093410 1389979753 /nfs/dbraw/zinc/97/97/53/1389979753.db2.gz JUSRMXWJAJGOKO-UWJYYQICSA-N 2 0 343.515 3.067 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(C)c(C)c1)C(C)(C)C ZINC001332890772 1390209616 /nfs/dbraw/zinc/20/96/16/1390209616.db2.gz DLHQRDVRZJTCRY-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC001340514728 1390303156 /nfs/dbraw/zinc/30/31/56/1390303156.db2.gz LPRNXFGVBFQAPA-IRXDYDNUSA-N 2 0 329.488 3.196 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001340866038 1390388917 /nfs/dbraw/zinc/38/89/17/1390388917.db2.gz WVTVLARBEKBXDQ-CUDHKJQZSA-N 2 0 345.531 3.261 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001698777498 1406442765 /nfs/dbraw/zinc/44/27/65/1406442765.db2.gz ZDKGWKLUOJAGTF-RBUKOAKNSA-N 2 0 345.531 3.130 20 0 EGADRP CCCN(C(=O)[C@H](C)[NH2+]C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001341404994 1390482716 /nfs/dbraw/zinc/48/27/16/1390482716.db2.gz QPEWOMAPDAWMJQ-KRWDZBQOSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC001341553643 1390501259 /nfs/dbraw/zinc/50/12/59/1390501259.db2.gz QYWNGIRARDUGMZ-DBVUQKKJSA-N 2 0 343.515 3.052 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001335133861 1390646870 /nfs/dbraw/zinc/64/68/70/1390646870.db2.gz LLANUISDDBBEJI-JYJNAYRXSA-N 2 0 336.549 3.151 20 0 EGADRP COc1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001335151140 1390649634 /nfs/dbraw/zinc/64/96/34/1390649634.db2.gz TVTRMCJGWOCQHZ-DZKIICNBSA-N 2 0 336.451 3.005 20 0 EGADRP CCCN(C(=O)[C@H]([NH3+])CC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001342915148 1390671806 /nfs/dbraw/zinc/67/18/06/1390671806.db2.gz PRLYNZFMAFMGFU-HXUWFJFHSA-N 2 0 343.515 3.017 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001335582546 1390705978 /nfs/dbraw/zinc/70/59/78/1390705978.db2.gz MAUAGWJFRZQCQX-SQWLQELKSA-N 2 0 346.906 3.389 20 0 EGADRP CC(C)c1noc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001347136038 1391008867 /nfs/dbraw/zinc/00/88/67/1391008867.db2.gz DKCWTNNPZCJOTP-WMZOPIPTSA-N 2 0 342.487 3.236 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)CC1 ZINC001347233002 1391035963 /nfs/dbraw/zinc/03/59/63/1391035963.db2.gz DAJDVIXOLVQAPO-IBGZPJMESA-N 2 0 327.516 3.451 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001350648004 1391498635 /nfs/dbraw/zinc/49/86/35/1391498635.db2.gz VSJUYCNDRSRZLY-UHFFFAOYSA-N 2 0 326.366 3.108 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3N[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC001350925723 1391560311 /nfs/dbraw/zinc/56/03/11/1391560311.db2.gz DCHGCDUEJNMPET-IWWKYQTOSA-N 2 0 339.527 3.113 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001353158950 1391947082 /nfs/dbraw/zinc/94/70/82/1391947082.db2.gz NVUQIHMSHVUTBZ-FQEVSTJZSA-N 2 0 337.467 3.181 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001479571797 1392278668 /nfs/dbraw/zinc/27/86/68/1392278668.db2.gz CNANPJQOXVPIFT-GGPKGHCWSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001479894642 1392463717 /nfs/dbraw/zinc/46/37/17/1392463717.db2.gz YMQLNLKXBFXRFI-FQEVSTJZSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ccc2C)C1 ZINC001479913615 1392481540 /nfs/dbraw/zinc/48/15/40/1392481540.db2.gz MADCNTDFUCFXBT-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698859520 1406568862 /nfs/dbraw/zinc/56/88/62/1406568862.db2.gz CPSAEAZNYGCHQY-ROUUACIJSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001479980619 1392514312 /nfs/dbraw/zinc/51/43/12/1392514312.db2.gz IRYNHDCGROFYRF-QZTJIDSGSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCC1CCCC1 ZINC001480597702 1392812633 /nfs/dbraw/zinc/81/26/33/1392812633.db2.gz SKLBWJDCBOIOLG-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCC2)C1)[NH+](C)C ZINC001480738868 1392904660 /nfs/dbraw/zinc/90/46/60/1392904660.db2.gz ISBPUFLLFGXBHT-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCC2)C1)[NH+](C)C ZINC001480738872 1392905187 /nfs/dbraw/zinc/90/51/87/1392905187.db2.gz ISBPUFLLFGXBHT-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480775277 1392925991 /nfs/dbraw/zinc/92/59/91/1392925991.db2.gz CNNYTIWBZYTADA-FUHWJXTLSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480791870 1392936221 /nfs/dbraw/zinc/93/62/21/1392936221.db2.gz FDEHZGREVLEEMH-GOSISDBHSA-N 2 0 347.547 3.266 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001480794063 1392937902 /nfs/dbraw/zinc/93/79/02/1392937902.db2.gz VGQIFEQYXYRDFR-YLJYHZDGSA-N 2 0 345.531 3.354 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C2CCCC2)cc1)[NH+](C)C ZINC001480880199 1392996196 /nfs/dbraw/zinc/99/61/96/1392996196.db2.gz RUJITIJACMENMS-HXUWFJFHSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1cccc(F)c1)[NH+]1CCCCCC1 ZINC001480920786 1393021048 /nfs/dbraw/zinc/02/10/48/1393021048.db2.gz XIKWNSVYAOLQEY-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1cccc(F)c1 ZINC001481008213 1393084932 /nfs/dbraw/zinc/08/49/32/1393084932.db2.gz IRXXSOOIVMPLJX-QGZVFWFLSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001490421780 1394222680 /nfs/dbraw/zinc/22/26/80/1394222680.db2.gz NKWFVJKTXPGCNQ-HNAYVOBHSA-N 2 0 349.494 3.150 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001481681638 1394446337 /nfs/dbraw/zinc/44/63/37/1394446337.db2.gz NVPPHHGWDLJBSY-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001491170382 1394457284 /nfs/dbraw/zinc/45/72/84/1394457284.db2.gz NOGXLKZCUUYYAX-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC001491269901 1394498708 /nfs/dbraw/zinc/49/87/08/1394498708.db2.gz QQRCANDPDFUTNJ-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001491361344 1394512181 /nfs/dbraw/zinc/51/21/81/1394512181.db2.gz PQPHONIOUDMPHG-UHFFFAOYSA-N 2 0 349.494 3.015 20 0 EGADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001481849075 1394557243 /nfs/dbraw/zinc/55/72/43/1394557243.db2.gz VJSQQOMLEAZYCW-OALUTQOASA-N 2 0 349.494 3.103 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001482071169 1394734613 /nfs/dbraw/zinc/73/46/13/1394734613.db2.gz BGVURQHGKGUXIN-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCCC1 ZINC001482230757 1394825513 /nfs/dbraw/zinc/82/55/13/1394825513.db2.gz ZSKQUSUHQPHPQL-UHFFFAOYSA-N 2 0 345.531 3.079 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001698972995 1406738582 /nfs/dbraw/zinc/73/85/82/1406738582.db2.gz POZXEWAQOKXNMZ-PXNSSMCTSA-N 2 0 345.531 3.128 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001483932555 1395150187 /nfs/dbraw/zinc/15/01/87/1395150187.db2.gz JZMIZEBRPUGXGE-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@](C)(C[NH2+]CC3CCCCC3)C2)CC1 ZINC001484113317 1395258456 /nfs/dbraw/zinc/25/84/56/1395258456.db2.gz FVMCEXMLGILRCB-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001484142588 1395278934 /nfs/dbraw/zinc/27/89/34/1395278934.db2.gz WGNWESBIUXHPOR-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484393272 1395364327 /nfs/dbraw/zinc/36/43/27/1395364327.db2.gz SMDCWLIXBKHHLS-GUDVDZBRSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001484471187 1395405166 /nfs/dbraw/zinc/40/51/66/1395405166.db2.gz JXIQLPRAHAKGFI-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC001484747096 1395501480 /nfs/dbraw/zinc/50/14/80/1395501480.db2.gz MVXSPKRDPPVXEP-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001698990132 1406778165 /nfs/dbraw/zinc/77/81/65/1406778165.db2.gz WSDRSVJEBSZUAM-SFHVURJKSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001485531897 1396002744 /nfs/dbraw/zinc/00/27/44/1396002744.db2.gz BGHVVLLAMCXNOK-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001503645538 1396261154 /nfs/dbraw/zinc/26/11/54/1396261154.db2.gz DFBLPLCMNMAINA-PXNSSMCTSA-N 2 0 345.531 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001494863086 1396501291 /nfs/dbraw/zinc/50/12/91/1396501291.db2.gz LBIZMBJTHIUPCK-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1([NH2+]CCC2CC2)CCCC1 ZINC001495917803 1396572315 /nfs/dbraw/zinc/57/23/15/1396572315.db2.gz HBUMVYGGJOGYBA-UHFFFAOYSA-N 2 0 349.544 3.242 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001496154009 1396615219 /nfs/dbraw/zinc/61/52/19/1396615219.db2.gz LTFMGFINFKIHKD-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001690029594 1404268338 /nfs/dbraw/zinc/26/83/38/1404268338.db2.gz IIUBHFDMENDUDA-JBVUFVISSA-N 2 0 337.552 3.242 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001690428960 1404555049 /nfs/dbraw/zinc/55/50/49/1404555049.db2.gz HEWOVDULHTXFPW-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001690606396 1404649881 /nfs/dbraw/zinc/64/98/81/1404649881.db2.gz MEKORFVQUDNLPC-ROUUACIJSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC001690632442 1404665827 /nfs/dbraw/zinc/66/58/27/1404665827.db2.gz YUVTXPPDZHHJNM-IRXDYDNUSA-N 2 0 339.483 3.217 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001690713901 1404696171 /nfs/dbraw/zinc/69/61/71/1404696171.db2.gz ZDZZIMMGRFBPBM-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1)[NH+]1CCCCC1 ZINC001690772524 1404721785 /nfs/dbraw/zinc/72/17/85/1404721785.db2.gz UDTQEZMTDCDYCU-UIOUNXJESA-N 2 0 341.927 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001690784855 1404732311 /nfs/dbraw/zinc/73/23/11/1404732311.db2.gz NPRFERPHSZXVJN-WLTZFMEZSA-N 2 0 343.515 3.059 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC001690786998 1404733966 /nfs/dbraw/zinc/73/39/66/1404733966.db2.gz DNTORLOILRWUQG-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC1CCCC1 ZINC001690843199 1404772882 /nfs/dbraw/zinc/77/28/82/1404772882.db2.gz PXIVRIRMMBUFCQ-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccccc1C(C)C ZINC001691020261 1404933842 /nfs/dbraw/zinc/93/38/42/1404933842.db2.gz QCVSIUHODLZUKM-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+]1CCC(C(=O)NCC[N@H+](CCC2CCCCCC2)C2CC2)CC1 ZINC001691222570 1405163348 /nfs/dbraw/zinc/16/33/48/1405163348.db2.gz AFPJMGFSVOHIJR-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CCC3CC3)CC2)CC1 ZINC001692026255 1405744275 /nfs/dbraw/zinc/74/42/75/1405744275.db2.gz DPWVJIZMPYCONF-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCC3CCCC3)CC[C@@H]2C1 ZINC001692083520 1405764880 /nfs/dbraw/zinc/76/48/80/1405764880.db2.gz WTWWLZZDWCOFOT-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001692098231 1405771041 /nfs/dbraw/zinc/77/10/41/1405771041.db2.gz JYEOUOWFPAFKNN-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001692335663 1405956470 /nfs/dbraw/zinc/95/64/70/1405956470.db2.gz SIVBMSDHSFUMOY-KRWDZBQOSA-N 2 0 345.531 3.082 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001698547786 1406145412 /nfs/dbraw/zinc/14/54/12/1406145412.db2.gz ZMVNGLNOLDBEOZ-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001698585941 1406201969 /nfs/dbraw/zinc/20/19/69/1406201969.db2.gz NTSZVSAMXCCGND-PMACEKPBSA-N 2 0 345.531 3.066 20 0 EGADRP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001698586422 1406204440 /nfs/dbraw/zinc/20/44/40/1406204440.db2.gz CMWXHAOLZULTAD-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001698588223 1406207865 /nfs/dbraw/zinc/20/78/65/1406207865.db2.gz NZWOJONZTUGJPN-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H]([NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001699200560 1412569260 /nfs/dbraw/zinc/56/92/60/1412569260.db2.gz MDQVRPVUIOHDTP-LJQANCHMSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001699462722 1412819570 /nfs/dbraw/zinc/81/95/70/1412819570.db2.gz AVJBTLYFOFQYPH-FUHWJXTLSA-N 2 0 339.568 3.226 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001699648115 1413030059 /nfs/dbraw/zinc/03/00/59/1413030059.db2.gz WLBQSUPBMCHNSS-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2)[NH+](CC)CC ZINC001699694948 1413103696 /nfs/dbraw/zinc/10/36/96/1413103696.db2.gz PBCFOHQXEDGCAD-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C[C@@H]1C ZINC001699742475 1413153508 /nfs/dbraw/zinc/15/35/08/1413153508.db2.gz ZHJZKFFLKSIURF-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CCc1ccc(C[NH+]2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001699772999 1413181040 /nfs/dbraw/zinc/18/10/40/1413181040.db2.gz YOTBEOZCKGTXTK-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001699946834 1413390826 /nfs/dbraw/zinc/39/08/26/1413390826.db2.gz APLCOGCVGYKOTL-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[NH+]1CCCCCC1 ZINC001699980017 1413425316 /nfs/dbraw/zinc/42/53/16/1413425316.db2.gz UEAUEZZPYDZFHO-MISYRCLQSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001700197452 1413638727 /nfs/dbraw/zinc/63/87/27/1413638727.db2.gz KPUXHELCFAXGHX-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001700252146 1413698402 /nfs/dbraw/zinc/69/84/02/1413698402.db2.gz AOAPJDAVNUPPEH-KRWDZBQOSA-N 2 0 343.515 3.293 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700365044 1413886446 /nfs/dbraw/zinc/88/64/46/1413886446.db2.gz XIUFSYNPSGJGDA-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001700556135 1414226265 /nfs/dbraw/zinc/22/62/65/1414226265.db2.gz XSDWQUUDUXYHSX-KXBFYZLASA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001700826740 1414482296 /nfs/dbraw/zinc/48/22/96/1414482296.db2.gz UAQYIIZHHFVVIF-AZUAARDMSA-N 2 0 345.531 3.033 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732702579 1428917364 /nfs/dbraw/zinc/91/73/64/1428917364.db2.gz OEMRSLDOMMCWEE-IAGOWNOFSA-N 2 0 331.504 3.025 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001732754950 1428949672 /nfs/dbraw/zinc/94/96/72/1428949672.db2.gz PVCONWCHTSKBAN-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001707065146 1417179646 /nfs/dbraw/zinc/17/96/46/1417179646.db2.gz VOAODIFOHJBHTJ-ZSYWTGECSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C ZINC001713002084 1417555426 /nfs/dbraw/zinc/55/54/26/1417555426.db2.gz GYCABWHGVQCDDK-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCC2)CC1 ZINC001713256430 1417856208 /nfs/dbraw/zinc/85/62/08/1417856208.db2.gz GNACCDLINVFICV-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713278056 1417901027 /nfs/dbraw/zinc/90/10/27/1417901027.db2.gz QJJDIZMCSANNHW-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001713310981 1417935570 /nfs/dbraw/zinc/93/55/70/1417935570.db2.gz GRTHJVCGYNNPOX-HOTGVXAUSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713418232 1418041982 /nfs/dbraw/zinc/04/19/82/1418041982.db2.gz ANPLYSDYPQRDAC-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713461663 1418119359 /nfs/dbraw/zinc/11/93/59/1418119359.db2.gz JJVASMUIUOYZPT-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001713701760 1418459163 /nfs/dbraw/zinc/45/91/63/1418459163.db2.gz DIRJMDARDZVUCO-LJQANCHMSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001713867926 1418664952 /nfs/dbraw/zinc/66/49/52/1418664952.db2.gz LIFIMXHTLBKLDZ-VQIMIIECSA-N 2 0 343.515 3.025 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001714022859 1418806421 /nfs/dbraw/zinc/80/64/21/1418806421.db2.gz WZQZLEPXNSSEBB-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+](CCCC(C)(C)C)C2)CCC1 ZINC001714035340 1418823654 /nfs/dbraw/zinc/82/36/54/1418823654.db2.gz JGSTZZIIRTVFKL-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001714313786 1419094499 /nfs/dbraw/zinc/09/44/99/1419094499.db2.gz SFYWDRGGFIGCFO-WGSAOQKQSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(C[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC001714523596 1419249940 /nfs/dbraw/zinc/24/99/40/1419249940.db2.gz OHIFOTLHAFNXKU-GOSISDBHSA-N 2 0 343.515 3.014 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cccc(F)c1 ZINC001714583434 1419323906 /nfs/dbraw/zinc/32/39/06/1419323906.db2.gz HPGXGYBBCBTHEY-QFBILLFUSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1 ZINC001714584155 1419325466 /nfs/dbraw/zinc/32/54/66/1419325466.db2.gz PRUKWOOLULNGTJ-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC[C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001714882441 1419619796 /nfs/dbraw/zinc/61/97/96/1419619796.db2.gz OSBIEMLYRJHXMY-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001714922784 1419675663 /nfs/dbraw/zinc/67/56/63/1419675663.db2.gz CKRGZIIAZVWOHX-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001715005230 1419735216 /nfs/dbraw/zinc/73/52/16/1419735216.db2.gz YQGICAPQGFHDOK-AHRSYUTCSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001715033371 1419766755 /nfs/dbraw/zinc/76/67/55/1419766755.db2.gz VYOHJQDWVRZPMV-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001715057615 1419797773 /nfs/dbraw/zinc/79/77/73/1419797773.db2.gz YIRWAOLOVQGBCA-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001715198633 1419930384 /nfs/dbraw/zinc/93/03/84/1419930384.db2.gz YOUJBPWAEXZJFP-GOSISDBHSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001715212359 1419944517 /nfs/dbraw/zinc/94/45/17/1419944517.db2.gz CEHQSWFCLVRSBV-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CC1CCCCC1 ZINC001715233115 1419964679 /nfs/dbraw/zinc/96/46/79/1419964679.db2.gz HXSNCMVRDWSELA-YLJYHZDGSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CCCC1)[NH+](C)C ZINC001715306327 1420015420 /nfs/dbraw/zinc/01/54/20/1420015420.db2.gz MWNPJQWPCMYDCY-MOPGFXCFSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715521323 1420207597 /nfs/dbraw/zinc/20/75/97/1420207597.db2.gz PCXBTUYGINNDEL-ICSRJNTNSA-N 2 0 345.531 3.319 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716198932 1420563514 /nfs/dbraw/zinc/56/35/14/1420563514.db2.gz WXPJXYWIWWSPEG-RBUKOAKNSA-N 2 0 345.531 3.416 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001716423904 1420651123 /nfs/dbraw/zinc/65/11/23/1420651123.db2.gz MUXWVSKFMZCBKY-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716508785 1420740636 /nfs/dbraw/zinc/74/06/36/1420740636.db2.gz PUYPNFDROYLQRC-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001716508845 1420740729 /nfs/dbraw/zinc/74/07/29/1420740729.db2.gz RCNMVDKKXKDMKS-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC[N@H+](CC2CC2)C2CCCCCC2)CC1 ZINC001733278904 1429447636 /nfs/dbraw/zinc/44/76/36/1429447636.db2.gz MGOWJNFCPCNRNF-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccc([C@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001717487699 1421424815 /nfs/dbraw/zinc/42/48/15/1421424815.db2.gz LDHNZQAQGGWVDA-MSOLQXFVSA-N 2 0 347.547 3.470 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001717562590 1421497945 /nfs/dbraw/zinc/49/79/45/1421497945.db2.gz KRTWXWIYBPFKHX-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001717741507 1421605121 /nfs/dbraw/zinc/60/51/21/1421605121.db2.gz SOENUXJARSNLLI-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001733333632 1429518928 /nfs/dbraw/zinc/51/89/28/1429518928.db2.gz NCHHHKAWRNMQFM-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001733336373 1429521504 /nfs/dbraw/zinc/52/15/04/1429521504.db2.gz TYCFQPBWXJSEEO-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001723376091 1424376682 /nfs/dbraw/zinc/37/66/82/1424376682.db2.gz FBFVXSZFKYJADO-WOJBJXKFSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001724845506 1425196393 /nfs/dbraw/zinc/19/63/93/1425196393.db2.gz QNHZWGVGCDKMRL-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001724868826 1425251883 /nfs/dbraw/zinc/25/18/83/1425251883.db2.gz RECNNRXRODJSTE-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001724943554 1425328821 /nfs/dbraw/zinc/32/88/21/1425328821.db2.gz FZJBRCWIADDYKF-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1c2ccccc2CC[N@H+]1CCC(C)C)[NH+](C)C ZINC001725012153 1425427931 /nfs/dbraw/zinc/42/79/31/1425427931.db2.gz FYHDPFWYMVCZAH-UXHICEINSA-N 2 0 345.531 3.088 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001725045616 1425475199 /nfs/dbraw/zinc/47/51/99/1425475199.db2.gz XNGKNBBVJZNMFA-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1ccccc1Cl ZINC001725188940 1425728891 /nfs/dbraw/zinc/72/88/91/1425728891.db2.gz KXGVTWGVMPTGJD-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)[C@@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CC1 ZINC001725213531 1425776141 /nfs/dbraw/zinc/77/61/41/1425776141.db2.gz PWQIIUUIPBDZFP-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC([N@H+](C)CCCC3CCCC3)CC2)CC1 ZINC001725426193 1426086770 /nfs/dbraw/zinc/08/67/70/1426086770.db2.gz YEUNNWADVJXYLW-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)[C@@H]1C ZINC001725627496 1426295007 /nfs/dbraw/zinc/29/50/07/1426295007.db2.gz LNDCFRPHDMBWGW-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001725744006 1426420803 /nfs/dbraw/zinc/42/08/03/1426420803.db2.gz JPGDETYBSWERKU-QGZVFWFLSA-N 2 0 325.541 3.170 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001731354860 1427295300 /nfs/dbraw/zinc/29/53/00/1427295300.db2.gz CCEPKPSVCFBKQA-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001731460615 1427436766 /nfs/dbraw/zinc/43/67/66/1427436766.db2.gz GAYSLTGDBKHYSY-UFYCRDLUSA-N 2 0 343.515 3.251 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001731524110 1427512293 /nfs/dbraw/zinc/51/22/93/1427512293.db2.gz CPTOFBIELLSIRQ-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001731628599 1427679554 /nfs/dbraw/zinc/67/95/54/1427679554.db2.gz LVKXLUXYLGKYQA-IAGOWNOFSA-N 2 0 341.499 3.337 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001731629769 1427680733 /nfs/dbraw/zinc/68/07/33/1427680733.db2.gz SSSBMOHTAOLYJT-XLIONFOSSA-N 2 0 345.531 3.352 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001734117047 1437899000 /nfs/dbraw/zinc/89/90/00/1437899000.db2.gz LKCOEUUUTULGSA-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CCC[N@@H+](C(C)C)C2 ZINC001734197077 1437938278 /nfs/dbraw/zinc/93/82/78/1437938278.db2.gz UUVZSWHJQYGIDK-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001734332327 1438055467 /nfs/dbraw/zinc/05/54/67/1438055467.db2.gz SUALVANCZUJBCO-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001734462456 1438118891 /nfs/dbraw/zinc/11/88/91/1438118891.db2.gz VUBYPTLCTBJGAL-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001752259972 1440161598 /nfs/dbraw/zinc/16/15/98/1440161598.db2.gz USEUPZCHDUNMIL-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC[N@H+](CC2CCCCC2)C2CC2)CC1 ZINC001752283259 1440164721 /nfs/dbraw/zinc/16/47/21/1440164721.db2.gz MUFXNQROYUXKTI-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001752391888 1440173493 /nfs/dbraw/zinc/17/34/93/1440173493.db2.gz XOCHPNHXFOOIFN-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001752427002 1440177444 /nfs/dbraw/zinc/17/74/44/1440177444.db2.gz MPXSXECMUMNLAS-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001752431887 1440178658 /nfs/dbraw/zinc/17/86/58/1440178658.db2.gz PQZGBNAGFDVYRQ-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001752489844 1440186367 /nfs/dbraw/zinc/18/63/67/1440186367.db2.gz BLSXJGNNGBZOQO-UYAOXDASSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCCC3CCC3)C2)CC[N@@H+]1C ZINC001752508412 1440189892 /nfs/dbraw/zinc/18/98/92/1440189892.db2.gz SRPZGPIARLWDNM-YZGWKJHDSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCCC3CCC3)C2)CC[N@@H+]1C ZINC001752508411 1440189951 /nfs/dbraw/zinc/18/99/51/1440189951.db2.gz SRPZGPIARLWDNM-MISYRCLQSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC001752527659 1440193506 /nfs/dbraw/zinc/19/35/06/1440193506.db2.gz LVIGHMQNHHYCQR-RTBURBONSA-N 2 0 345.531 3.260 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C2)ccc2c[nH+]cn21 ZINC001752579586 1440195721 /nfs/dbraw/zinc/19/57/21/1440195721.db2.gz FMFWVRGFRDRLPM-RDJZCZTQSA-N 2 0 342.487 3.129 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752732023 1440204164 /nfs/dbraw/zinc/20/41/64/1440204164.db2.gz XWJGKKWOEGWXNF-GBESFXJTSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001752785345 1440210952 /nfs/dbraw/zinc/21/09/52/1440210952.db2.gz UWUHGEFISLIXLI-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001752921663 1440248817 /nfs/dbraw/zinc/24/88/17/1440248817.db2.gz WTHWSYXGSCUQQQ-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001752955335 1440252648 /nfs/dbraw/zinc/25/26/48/1440252648.db2.gz GIZJHZLRCCLIMZ-MOPGFXCFSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752974792 1440255691 /nfs/dbraw/zinc/25/56/91/1440255691.db2.gz XHKBFHHQFPRYHA-QZTJIDSGSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001752998046 1440263011 /nfs/dbraw/zinc/26/30/11/1440263011.db2.gz YDBRBDFZILNLSG-IRXDYDNUSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001753007096 1440266089 /nfs/dbraw/zinc/26/60/89/1440266089.db2.gz ARXPUFGEKDQNTL-UYAOXDASSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753011136 1440267001 /nfs/dbraw/zinc/26/70/01/1440267001.db2.gz PBOSWMGVZFENAH-ROUUACIJSA-N 2 0 345.531 3.415 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CCC1 ZINC001753028266 1440272020 /nfs/dbraw/zinc/27/20/20/1440272020.db2.gz XZOXJSJETKQVON-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001753029232 1440272152 /nfs/dbraw/zinc/27/21/52/1440272152.db2.gz BTHHUUSUGSYWTL-SFHVURJKSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001753036353 1440274741 /nfs/dbraw/zinc/27/47/41/1440274741.db2.gz WXNAVOWSUBZABW-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](CCC(=O)NCC[N@@H+](C)CC1CCCCC1)C1CCCCC1 ZINC001753058081 1440282274 /nfs/dbraw/zinc/28/22/74/1440282274.db2.gz JBXPABRGNRWBME-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CCC(C)(C)C ZINC001753094697 1440301559 /nfs/dbraw/zinc/30/15/59/1440301559.db2.gz GUEBOGPYQNBNCB-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753139305 1440320309 /nfs/dbraw/zinc/32/03/09/1440320309.db2.gz YPDREBQYTZQAMN-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1 ZINC001753142873 1440322431 /nfs/dbraw/zinc/32/24/31/1440322431.db2.gz DITTZSMWTFGFLM-UHFFFAOYSA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCC1 ZINC001753148961 1440326540 /nfs/dbraw/zinc/32/65/40/1440326540.db2.gz SSHHOQGGDAWMPA-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001753276856 1440346542 /nfs/dbraw/zinc/34/65/42/1440346542.db2.gz AZRBZNNUYDULEK-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001753298525 1440353246 /nfs/dbraw/zinc/35/32/46/1440353246.db2.gz JDZCWXPJNKJAFJ-PMACEKPBSA-N 2 0 343.515 3.106 20 0 EGADRP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001753318171 1440361029 /nfs/dbraw/zinc/36/10/29/1440361029.db2.gz DPTHMWRNMOEOLC-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753335133 1440371713 /nfs/dbraw/zinc/37/17/13/1440371713.db2.gz JLZRGQCQLZXGGV-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001753341233 1440375586 /nfs/dbraw/zinc/37/55/86/1440375586.db2.gz UBCBZXGTGNHTOX-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP CC/C=C\CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001753364020 1440384193 /nfs/dbraw/zinc/38/41/93/1440384193.db2.gz MEUNRXDQZZEELM-HCZHMGAMSA-N 2 0 349.563 3.388 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)CC2CCCCC2)CC1 ZINC001753366595 1440385404 /nfs/dbraw/zinc/38/54/04/1440385404.db2.gz FTRJPKRSVBGYGO-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001753438439 1440400763 /nfs/dbraw/zinc/40/07/63/1440400763.db2.gz ZJCYCHJOLMQEPX-PXEQJPNCSA-N 2 0 335.536 3.138 20 0 EGADRP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001753461105 1440410652 /nfs/dbraw/zinc/41/06/52/1440410652.db2.gz DLRDSDJJMWYXJQ-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001753500705 1440423142 /nfs/dbraw/zinc/42/31/42/1440423142.db2.gz ARYYXJPCMCVVLF-MJGOQNOKSA-N 2 0 343.515 3.169 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001753506131 1440424477 /nfs/dbraw/zinc/42/44/77/1440424477.db2.gz STVYWMINFCOEEA-OAHLLOKOSA-N 2 0 342.487 3.321 20 0 EGADRP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001753508362 1440425207 /nfs/dbraw/zinc/42/52/07/1440425207.db2.gz HOSJOYCWWQIOJP-RBUKOAKNSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753557537 1440436206 /nfs/dbraw/zinc/43/62/06/1440436206.db2.gz NMGIJZYEZGMQKM-SFHVURJKSA-N 2 0 345.531 3.380 20 0 EGADRP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753559924 1440436689 /nfs/dbraw/zinc/43/66/89/1440436689.db2.gz XRXVDEMINGIPRZ-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001753562446 1440437174 /nfs/dbraw/zinc/43/71/74/1440437174.db2.gz PQHNLLSWSNXDHO-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001753569505 1440438166 /nfs/dbraw/zinc/43/81/66/1440438166.db2.gz WNTCYIFFKOPJAU-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001753590540 1440442754 /nfs/dbraw/zinc/44/27/54/1440442754.db2.gz JLXICFYNKRXKKZ-QGZVFWFLSA-N 2 0 331.504 3.067 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001753592420 1440443317 /nfs/dbraw/zinc/44/33/17/1440443317.db2.gz MWKYLHRPFZXTRP-HXUWFJFHSA-N 2 0 345.531 3.311 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCC1 ZINC001753664442 1440459751 /nfs/dbraw/zinc/45/97/51/1440459751.db2.gz VTGQUCAUHFRUCD-UHFFFAOYSA-N 2 0 337.533 3.242 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCC3CC3)CCCC2)CCCCC1 ZINC001753667040 1440460692 /nfs/dbraw/zinc/46/06/92/1440460692.db2.gz PQPRNKPBXUSFFG-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001753675180 1440463199 /nfs/dbraw/zinc/46/31/99/1440463199.db2.gz UXNLVGQBYKHALX-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001753700174 1440468381 /nfs/dbraw/zinc/46/83/81/1440468381.db2.gz HTQUGQPZVFVABB-CQSZACIVSA-N 2 0 330.476 3.129 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001753729592 1440475297 /nfs/dbraw/zinc/47/52/97/1440475297.db2.gz NXIZURIJJXIFNP-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001753749946 1440482277 /nfs/dbraw/zinc/48/22/77/1440482277.db2.gz USHCKDWJTPNESV-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC(CC[N@H+](C)CC3CCC3)CC2)CC1 ZINC001753823889 1440497435 /nfs/dbraw/zinc/49/74/35/1440497435.db2.gz QUDRDZQPHPMWJZ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)C1 ZINC001753824301 1440497869 /nfs/dbraw/zinc/49/78/69/1440497869.db2.gz YROFHFJEKQDIIN-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)c1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001753857232 1440509671 /nfs/dbraw/zinc/50/96/71/1440509671.db2.gz JIDQGXMJRCMNNK-HXUWFJFHSA-N 2 0 345.531 3.185 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001753864362 1440513148 /nfs/dbraw/zinc/51/31/48/1440513148.db2.gz ISOBKLOFICEWTJ-RTBURBONSA-N 2 0 339.568 3.322 20 0 EGADRP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC001753875916 1440519365 /nfs/dbraw/zinc/51/93/65/1440519365.db2.gz OOYUPBNXMBPZDY-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753988486 1440528784 /nfs/dbraw/zinc/52/87/84/1440528784.db2.gz GTWAGNKCRSFIBS-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753992312 1440529132 /nfs/dbraw/zinc/52/91/32/1440529132.db2.gz DYMDBJVFSQCZKB-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CCC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753999714 1440530028 /nfs/dbraw/zinc/53/00/28/1440530028.db2.gz OUCHINNRPXWNKA-VQIMIIECSA-N 2 0 343.531 3.120 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754044991 1440535080 /nfs/dbraw/zinc/53/50/80/1440535080.db2.gz AFPSNBRUCACPNA-APWZRJJASA-N 2 0 349.494 3.198 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1Cl)C(=O)C[N@H+](C)C(C)C ZINC001754084299 1440539874 /nfs/dbraw/zinc/53/98/74/1440539874.db2.gz DZNAOLSKQYRTFP-OAHLLOKOSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001754232406 1440554200 /nfs/dbraw/zinc/55/42/00/1440554200.db2.gz STVDHXQTTZBMCK-OAHLLOKOSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001754296437 1440566415 /nfs/dbraw/zinc/56/64/15/1440566415.db2.gz LWWILIUQZCZDPD-ICSRJNTNSA-N 2 0 345.531 3.018 20 0 EGADRP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001754310622 1440572986 /nfs/dbraw/zinc/57/29/86/1440572986.db2.gz JKTSPTTUESZULZ-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001754326447 1440580977 /nfs/dbraw/zinc/58/09/77/1440580977.db2.gz KGCOHUSYSQXQPT-AZUAARDMSA-N 2 0 345.531 3.194 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH+](C)CC=C(C)C)c1ccccc1 ZINC001754330397 1440583427 /nfs/dbraw/zinc/58/34/27/1440583427.db2.gz KWTPOKJIHKTRCU-MJGOQNOKSA-N 2 0 331.504 3.082 20 0 EGADRP CC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1[NH2+]CC=C(C)C ZINC001754463236 1440603790 /nfs/dbraw/zinc/60/37/90/1440603790.db2.gz AUOOIMKJVNLXCJ-OALUTQOASA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001754542786 1440626465 /nfs/dbraw/zinc/62/64/65/1440626465.db2.gz DSXZXCCHSKOOHQ-WKOLEINNSA-N 2 0 347.547 3.282 20 0 EGADRP CCC/C=C\CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001754561615 1440633755 /nfs/dbraw/zinc/63/37/55/1440633755.db2.gz ZQBMWWGZYXFBDH-FPLPWBNLSA-N 2 0 349.563 3.389 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](CC)CC ZINC001754567984 1440636470 /nfs/dbraw/zinc/63/64/70/1440636470.db2.gz YBRPYSXMZGUXDM-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001754631184 1440647791 /nfs/dbraw/zinc/64/77/91/1440647791.db2.gz LEPKRTLVTCTGQI-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001754649308 1440651509 /nfs/dbraw/zinc/65/15/09/1440651509.db2.gz IQZIVOUUCLEGTR-VQTJNVASSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@H+](CC(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CCCC1)C1CCC1 ZINC001754650596 1440651727 /nfs/dbraw/zinc/65/17/27/1440651727.db2.gz QFBICDJFVCOQOB-LJQANCHMSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001754675544 1440659676 /nfs/dbraw/zinc/65/96/76/1440659676.db2.gz RCJGVJCYRNETNI-OAQYLSRUSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001754683061 1440663384 /nfs/dbraw/zinc/66/33/84/1440663384.db2.gz RFOWRHHTJOFXCS-FQEVSTJZSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CC2CCCCCC2)C1 ZINC001754685202 1440664738 /nfs/dbraw/zinc/66/47/38/1440664738.db2.gz GIQIZHVNFOTVED-OAQYLSRUSA-N 2 0 349.563 3.413 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730213 1440678721 /nfs/dbraw/zinc/67/87/21/1440678721.db2.gz VMFDMMPOIDHKMJ-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001754733722 1440681370 /nfs/dbraw/zinc/68/13/70/1440681370.db2.gz OJGAMBRSFUXVFW-RTVDBWQISA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754735670 1440682135 /nfs/dbraw/zinc/68/21/35/1440682135.db2.gz IBFVHPDPPQTACG-XLIONFOSSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1 ZINC001754992599 1440724896 /nfs/dbraw/zinc/72/48/96/1440724896.db2.gz JGXYVOMVEFQCLC-ROUUACIJSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001755033728 1440732995 /nfs/dbraw/zinc/73/29/95/1440732995.db2.gz DEWCWECQFYHCBA-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001755048134 1440742437 /nfs/dbraw/zinc/74/24/37/1440742437.db2.gz WGPCNUJQQBJBFF-OALUTQOASA-N 2 0 345.531 3.148 20 0 EGADRP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001755072575 1440747128 /nfs/dbraw/zinc/74/71/28/1440747128.db2.gz LNXUAXARSOMTJX-MJRGOJFPSA-N 2 0 335.536 3.045 20 0 EGADRP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001755074981 1440748145 /nfs/dbraw/zinc/74/81/45/1440748145.db2.gz TYWWSVOMPVAMAG-UHFFFAOYSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC001755120812 1440755595 /nfs/dbraw/zinc/75/55/95/1440755595.db2.gz AFJBKIWUBZYNHU-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001755161834 1440764920 /nfs/dbraw/zinc/76/49/20/1440764920.db2.gz NDXYWWFWAKXQLE-ZWKOTPCHSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001755162967 1440765578 /nfs/dbraw/zinc/76/55/78/1440765578.db2.gz BOYJRNXEROJVJB-IEBWSBKVSA-N 2 0 345.531 3.231 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CCCC2CCCC2)CCC1 ZINC001755195736 1440776789 /nfs/dbraw/zinc/77/67/89/1440776789.db2.gz XGOYBTRONCQRIG-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001755197010 1440777424 /nfs/dbraw/zinc/77/74/24/1440777424.db2.gz DYAOTVCJSIKWGS-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001755201288 1440779919 /nfs/dbraw/zinc/77/99/19/1440779919.db2.gz QJWJNJBVUGSLRK-PMACEKPBSA-N 2 0 345.531 3.401 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755242080 1440789701 /nfs/dbraw/zinc/78/97/01/1440789701.db2.gz KTQQIJVQLWILJL-KJMJWJSPSA-N 2 0 342.487 3.486 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2ccccc2c1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001755250669 1440791814 /nfs/dbraw/zinc/79/18/14/1440791814.db2.gz SSMLHHWGRAHVFM-SJORKVTESA-N 2 0 341.499 3.164 20 0 EGADRP CC[C@H]([NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001755275477 1440798888 /nfs/dbraw/zinc/79/88/88/1440798888.db2.gz XWJYWLHMXHJLIC-MHJFOBGBSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001755327073 1440822241 /nfs/dbraw/zinc/82/22/41/1440822241.db2.gz DQUORGYYOKPHNW-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001755355896 1440829421 /nfs/dbraw/zinc/82/94/21/1440829421.db2.gz ZLLVIRSBKLBTNO-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001755378943 1440838849 /nfs/dbraw/zinc/83/88/49/1440838849.db2.gz RIGGUCUIGQEBJH-OAHLLOKOSA-N 2 0 342.487 3.273 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755519632 1440864883 /nfs/dbraw/zinc/86/48/83/1440864883.db2.gz BHRQAPBQPUZDDQ-RTBURBONSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC2CCCCC2)CC1 ZINC001755535113 1440869010 /nfs/dbraw/zinc/86/90/10/1440869010.db2.gz CAJXSIBKVWMFFN-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001755565666 1440875579 /nfs/dbraw/zinc/87/55/79/1440875579.db2.gz CVUDMBIWZGQHSX-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001755599456 1440883600 /nfs/dbraw/zinc/88/36/00/1440883600.db2.gz ITOOUDGHBYBSBU-LXPRWKDFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755619235 1440889916 /nfs/dbraw/zinc/88/99/16/1440889916.db2.gz UUSQCQLOQWPOBY-HKUYNNGSSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001755663295 1440893069 /nfs/dbraw/zinc/89/30/69/1440893069.db2.gz JSIGGDQORBDYTD-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001755700015 1440899383 /nfs/dbraw/zinc/89/93/83/1440899383.db2.gz FLRNEVCFBKZGFR-UYAOXDASSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001755712619 1440904040 /nfs/dbraw/zinc/90/40/40/1440904040.db2.gz NPLBBHYRMYJSAL-HSALFYBXSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755745385 1440912357 /nfs/dbraw/zinc/91/23/57/1440912357.db2.gz GUUGFANPOPSHGB-RBUKOAKNSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001755756838 1440914216 /nfs/dbraw/zinc/91/42/16/1440914216.db2.gz HDDHCBOJKUORDR-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001755757581 1440914265 /nfs/dbraw/zinc/91/42/65/1440914265.db2.gz NVUIZFYSNVHFJA-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001755757579 1440914267 /nfs/dbraw/zinc/91/42/67/1440914267.db2.gz NVUIZFYSNVHFJA-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001755812519 1440921315 /nfs/dbraw/zinc/92/13/15/1440921315.db2.gz RTSJZFQYXHSJNN-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001755822642 1440926173 /nfs/dbraw/zinc/92/61/73/1440926173.db2.gz UNMHFDHXVIDFGA-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]CCC1CC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001755822718 1440926215 /nfs/dbraw/zinc/92/62/15/1440926215.db2.gz VXIZTNGYGWCBJN-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001755829287 1440928344 /nfs/dbraw/zinc/92/83/44/1440928344.db2.gz AWTPRUDLUMNKSD-WDSOQIARSA-N 2 0 349.563 3.338 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001755861606 1440936935 /nfs/dbraw/zinc/93/69/35/1440936935.db2.gz CBINLIPOTQIUJH-WWDZGPRUSA-N 2 0 339.568 3.226 20 0 EGADRP CC/C=C/CC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001755868807 1440938434 /nfs/dbraw/zinc/93/84/34/1440938434.db2.gz HYBDDABEVFJSMY-SHCNBLLESA-N 2 0 347.547 3.045 20 0 EGADRP Cn1cc([C@H]2[C@H](C[N@H+](C)[C@@H]3C[C@@H]3c3ccccc3)CCCN2C)cn1 ZINC000368259966 168333522 /nfs/dbraw/zinc/33/35/22/168333522.db2.gz HMBRZIFEHZJBKD-OYNPSCLESA-N 2 0 338.499 3.291 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000368278792 168336786 /nfs/dbraw/zinc/33/67/86/168336786.db2.gz JLMVKZDCZJKZCO-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000368952680 168384873 /nfs/dbraw/zinc/38/48/73/168384873.db2.gz WMGIULMVBZAWRM-HXUWFJFHSA-N 2 0 344.499 3.305 20 0 EGADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000132930033 529682127 /nfs/dbraw/zinc/68/21/27/529682127.db2.gz FWRYOQFAUMLGRQ-OXJNMPFZSA-N 2 0 332.488 3.237 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000177825888 529721552 /nfs/dbraw/zinc/72/15/52/529721552.db2.gz PNKHIQBDVRWQQL-KRWDZBQOSA-N 2 0 338.499 3.247 20 0 EGADRP Cc1nn2c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c(C(C)C)nc2s1 ZINC000347034806 282303781 /nfs/dbraw/zinc/30/37/81/282303781.db2.gz CSVFCTZZKDPOFI-OAHLLOKOSA-N 2 0 347.532 3.187 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2n1 ZINC000370637621 168522427 /nfs/dbraw/zinc/52/24/27/168522427.db2.gz VDUNWHSRVVLKFS-SJLPKXTDSA-N 2 0 338.499 3.054 20 0 EGADRP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000358937420 283076502 /nfs/dbraw/zinc/07/65/02/283076502.db2.gz VXZQFILEFVMDTC-SJORKVTESA-N 2 0 339.911 3.179 20 0 EGADRP Cc1cncc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000184380652 235381837 /nfs/dbraw/zinc/38/18/37/235381837.db2.gz QNNZJOCBEZNDKN-KRWDZBQOSA-N 2 0 339.483 3.198 20 0 EGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415006766 309113958 /nfs/dbraw/zinc/11/39/58/309113958.db2.gz ABTDAGBSSXYLBP-LSDHHAIUSA-N 2 0 339.911 3.184 20 0 EGADRP COc1c(Br)cccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000186935773 236070391 /nfs/dbraw/zinc/07/03/91/236070391.db2.gz IYCSTCHNOJGKLN-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[C@@H]1C ZINC000354635462 291124881 /nfs/dbraw/zinc/12/48/81/291124881.db2.gz RDRIPLHCTFAFBD-GJGATLCTSA-N 2 0 336.520 3.207 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000342101313 283318957 /nfs/dbraw/zinc/31/89/57/283318957.db2.gz PYFNVMFQUXQEKL-QGZVFWFLSA-N 2 0 335.536 3.057 20 0 EGADRP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000037408295 213144686 /nfs/dbraw/zinc/14/46/86/213144686.db2.gz HVWDFXCBCAUORB-GFCCVEGCSA-N 2 0 327.241 3.162 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000130620452 223165210 /nfs/dbraw/zinc/16/52/10/223165210.db2.gz BOYSDTYQTQLOLU-LAUBAEHRSA-N 2 0 342.483 3.320 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000132373389 223325760 /nfs/dbraw/zinc/32/57/60/223325760.db2.gz UETQEZPUAHXPEK-RTWAWAEBSA-N 2 0 329.532 3.308 20 0 EGADRP C[N@H+](CCO[C@@H]1CCCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000193081848 240010042 /nfs/dbraw/zinc/01/00/42/240010042.db2.gz HESSLSOOPBGWND-HXUWFJFHSA-N 2 0 347.503 3.163 20 0 EGADRP C[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1n1ccnc1 ZINC000193257481 240081395 /nfs/dbraw/zinc/08/13/95/240081395.db2.gz RFYKWTLUKBMHOZ-LPHOPBHVSA-N 2 0 325.456 3.334 20 0 EGADRP C[C@]1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000237564617 291361436 /nfs/dbraw/zinc/36/14/36/291361436.db2.gz VYSUMELSQYTAHG-PKOBYXMFSA-N 2 0 349.906 3.125 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cncc(F)c1 ZINC000132766615 223360970 /nfs/dbraw/zinc/36/09/70/223360970.db2.gz YVIYKLUCCGEHHU-OAHLLOKOSA-N 2 0 343.446 3.028 20 0 EGADRP Fc1ccc(Br)c(F)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000230306966 242257785 /nfs/dbraw/zinc/25/77/85/242257785.db2.gz KUFKMVNPENEVJM-JTQLQIEISA-N 2 0 345.231 3.301 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246392402 243245107 /nfs/dbraw/zinc/24/51/07/243245107.db2.gz PLOWSPODZNVAHX-QWFCFKBJSA-N 2 0 343.515 3.190 20 0 EGADRP O=C(NC[C@H]1CCC[NH2+]1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000262538171 245023819 /nfs/dbraw/zinc/02/38/19/245023819.db2.gz QQRBTAGEPKXZMI-CYBMUJFWSA-N 2 0 331.803 3.009 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccccc1 ZINC000262855367 245216234 /nfs/dbraw/zinc/21/62/34/245216234.db2.gz KOQHYPSYZXTMBO-IERDGZPVSA-N 2 0 339.483 3.106 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000265149786 247250063 /nfs/dbraw/zinc/25/00/63/247250063.db2.gz AZNSRGDFZAGAGC-FXAWDEMLSA-N 2 0 341.499 3.461 20 0 EGADRP Cc1nccn1CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377337843 169012362 /nfs/dbraw/zinc/01/23/62/169012362.db2.gz QNMJBWDYZYNRPO-LEWJYISDSA-N 2 0 338.499 3.036 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3COC4(CCCC4)O3)CC2)C1 ZINC000378424378 169118294 /nfs/dbraw/zinc/11/82/94/169118294.db2.gz DDULAFVZEUKFRY-BHIYHBOVSA-N 2 0 336.520 3.305 20 0 EGADRP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)CC1CC[NH+](C)CC1 ZINC000093089363 218192961 /nfs/dbraw/zinc/19/29/61/218192961.db2.gz VLFQTVXPCRGQTE-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093372850 218219071 /nfs/dbraw/zinc/21/90/71/218219071.db2.gz UJDMZHBFJBEJGQ-WOJBJXKFSA-N 2 0 347.547 3.316 20 0 EGADRP Cc1ccc([C@@H](CNC2CC[NH+](CC3CC3)CC2)[NH+]2CCCC2)o1 ZINC000095421552 218363377 /nfs/dbraw/zinc/36/33/77/218363377.db2.gz FMQUBWMYWKYUCU-LJQANCHMSA-N 2 0 331.504 3.189 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC000268715455 252165915 /nfs/dbraw/zinc/16/59/15/252165915.db2.gz GMXICWUOCSYAFS-UHFFFAOYSA-N 2 0 335.923 3.380 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783746 252234360 /nfs/dbraw/zinc/23/43/60/252234360.db2.gz BPPRFDOOTSXEQH-MRXNPFEDSA-N 2 0 328.456 3.226 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000268806933 252259668 /nfs/dbraw/zinc/25/96/68/252259668.db2.gz JIVOGDJOTLAQIC-IPYPFGDCSA-N 2 0 344.425 3.221 20 0 EGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000268833297 252281884 /nfs/dbraw/zinc/28/18/84/252281884.db2.gz STUAPIAJVKBSPO-INIZCTEOSA-N 2 0 330.501 3.006 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000154188400 224215961 /nfs/dbraw/zinc/21/59/61/224215961.db2.gz ZALWNFHMYRDDOF-WZRBSPASSA-N 2 0 331.323 3.371 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000249031964 285313517 /nfs/dbraw/zinc/31/35/17/285313517.db2.gz RKENWJBASJOQPS-PWRODBHTSA-N 2 0 343.515 3.291 20 0 EGADRP Cc1cc(C)n(CCC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000156355997 224619705 /nfs/dbraw/zinc/61/97/05/224619705.db2.gz AIUSIWAXPTXEOE-GOSISDBHSA-N 2 0 344.503 3.181 20 0 EGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000158487933 533461745 /nfs/dbraw/zinc/46/17/45/533461745.db2.gz NHZMWPHDLLQMSS-OAHLLOKOSA-N 2 0 344.890 3.338 20 0 EGADRP C[C@@]1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000237584853 141009465 /nfs/dbraw/zinc/00/94/65/141009465.db2.gz VYSUMELSQYTAHG-MJGOQNOKSA-N 2 0 349.906 3.125 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246942397 141044904 /nfs/dbraw/zinc/04/49/04/141044904.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000247003476 141048384 /nfs/dbraw/zinc/04/83/84/141048384.db2.gz JYXDSGAXWAPGDL-PFRQMTDMSA-N 2 0 326.488 3.227 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000268861350 141059651 /nfs/dbraw/zinc/05/96/51/141059651.db2.gz SCSKJTSWNSCFIY-YSIASYRMSA-N 2 0 334.504 3.101 20 0 EGADRP Cc1nc2ccccn2c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934422 141220227 /nfs/dbraw/zinc/22/02/27/141220227.db2.gz OEPKXXZKDSFHND-NVXWUHKLSA-N 2 0 326.488 3.385 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C(C)C)cc1)C(C)C ZINC000356816893 141347643 /nfs/dbraw/zinc/34/76/43/141347643.db2.gz RPXMKBVKWLEGTE-KRWDZBQOSA-N 2 0 333.520 3.375 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000356834552 141351268 /nfs/dbraw/zinc/35/12/68/141351268.db2.gz BSPNMGPPTFCCFQ-AZUAARDMSA-N 2 0 346.515 3.108 20 0 EGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000357957095 141367556 /nfs/dbraw/zinc/36/75/56/141367556.db2.gz XMJUNQIFSMUHKP-LJQANCHMSA-N 2 0 345.531 3.150 20 0 EGADRP Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643239 144045619 /nfs/dbraw/zinc/04/56/19/144045619.db2.gz VQYINFXYAGYYPZ-QUCCMNQESA-N 2 0 345.531 3.148 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[N@@H+]1C ZINC000344635440 144203200 /nfs/dbraw/zinc/20/32/00/144203200.db2.gz TUCSLOYINCWCRH-UKRRQHHQSA-N 2 0 332.879 3.313 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOC(c3ccccc3)c3ccccc3)C[C@H]12 ZINC000351475179 144266301 /nfs/dbraw/zinc/26/63/01/144266301.db2.gz HQNOYIDYPAUUCD-QHAWAJNXSA-N 2 0 336.479 3.462 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@H]12 ZINC000351486809 144268016 /nfs/dbraw/zinc/26/80/16/144268016.db2.gz BFXYNNZJLISJJD-FGTMMUONSA-N 2 0 332.451 3.170 20 0 EGADRP c1cc(N2CCN(CCC[NH2+]CCC3CCCCC3)CC2)cc[nH+]1 ZINC000361581960 144331678 /nfs/dbraw/zinc/33/16/78/144331678.db2.gz HYULLPABAKCMOA-UHFFFAOYSA-N 2 0 330.520 3.154 20 0 EGADRP CN(C)[C@@H](C[NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccco1 ZINC000120456500 152277229 /nfs/dbraw/zinc/27/72/29/152277229.db2.gz WZPDVJCXOZPKGJ-OALUTQOASA-N 2 0 327.472 3.137 20 0 EGADRP CSc1ccc([C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000341549106 155347852 /nfs/dbraw/zinc/34/78/52/155347852.db2.gz DNCNYVCHYVODCS-DAYGRLMNSA-N 2 0 349.544 3.000 20 0 EGADRP O[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000341585038 155368732 /nfs/dbraw/zinc/36/87/32/155368732.db2.gz KQJPOPQXDWRAQZ-YADHBBJMSA-N 2 0 338.495 3.407 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)C(C)(C)C ZINC000341604120 155379248 /nfs/dbraw/zinc/37/92/48/155379248.db2.gz YIXMXFIJDPEPMP-IBGZPJMESA-N 2 0 332.536 3.002 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CNc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000192959172 153271432 /nfs/dbraw/zinc/27/14/32/153271432.db2.gz HGWFWJZKYCJDKV-GOSISDBHSA-N 2 0 337.471 3.011 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000195134747 153382677 /nfs/dbraw/zinc/38/26/77/153382677.db2.gz KDENHHGLPDEEFY-XRXFAXGQSA-N 2 0 340.511 3.446 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182315 154038290 /nfs/dbraw/zinc/03/82/90/154038290.db2.gz KWAJSIHOUMEQGC-NSHGMRRFSA-N 2 0 345.531 3.164 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310097540 154138643 /nfs/dbraw/zinc/13/86/43/154138643.db2.gz AGWFLFYAZXMKCP-APWZRJJASA-N 2 0 325.456 3.090 20 0 EGADRP c1nn2ccccc2c1C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000311798658 154149821 /nfs/dbraw/zinc/14/98/21/154149821.db2.gz KDCRMETWAXFZRJ-TYPHKJRUSA-N 2 0 346.478 3.335 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337286258 154260655 /nfs/dbraw/zinc/26/06/55/154260655.db2.gz KLKOUSNJAXJWOA-MBPVOVBZSA-N 2 0 343.515 3.075 20 0 EGADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000338442734 154693215 /nfs/dbraw/zinc/69/32/15/154693215.db2.gz YFYWXQFEEFNNCH-OAHLLOKOSA-N 2 0 347.890 3.396 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000340115206 155103914 /nfs/dbraw/zinc/10/39/14/155103914.db2.gz KVPSYLJWPMXVPC-UXHICEINSA-N 2 0 345.531 3.300 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]21 ZINC000346821079 156151355 /nfs/dbraw/zinc/15/13/55/156151355.db2.gz LFUMSQKPZMUZBA-RRQGHBQHSA-N 2 0 330.863 3.289 20 0 EGADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346838927 156160869 /nfs/dbraw/zinc/16/08/69/156160869.db2.gz XWTXIILRHUTFLM-KSZLIROESA-N 2 0 332.488 3.433 20 0 EGADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348906762 156284066 /nfs/dbraw/zinc/28/40/66/156284066.db2.gz VOQUXRGZNZNCFS-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000093688485 162022034 /nfs/dbraw/zinc/02/20/34/162022034.db2.gz LLDJCUNKYATGTI-UHFFFAOYSA-N 2 0 330.520 3.236 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000110975402 162140866 /nfs/dbraw/zinc/14/08/66/162140866.db2.gz NXVPKMRHHSMDGJ-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000248432043 163004000 /nfs/dbraw/zinc/00/40/00/163004000.db2.gz CLBBOOIBBSFUEM-FOIQADDNSA-N 2 0 328.431 3.243 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000249116888 163057009 /nfs/dbraw/zinc/05/70/09/163057009.db2.gz SKFMVNCUALOYIL-YSTOQKLRSA-N 2 0 326.484 3.056 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000338573608 163277911 /nfs/dbraw/zinc/27/79/11/163277911.db2.gz KALXKHOVARDKIH-PXNSSMCTSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCCOC(C)(C)C)CC2)CC1 ZINC000354707958 166015832 /nfs/dbraw/zinc/01/58/32/166015832.db2.gz AOXZZHINBMRMSL-UHFFFAOYSA-N 2 0 339.568 3.072 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cncc(OC)c2)CC1)CC1CC1 ZINC000343714814 164019012 /nfs/dbraw/zinc/01/90/12/164019012.db2.gz PYIPBYCYYSGEKY-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC000343835193 164047663 /nfs/dbraw/zinc/04/76/63/164047663.db2.gz UAVYLSJRGQSZBI-HXUWFJFHSA-N 2 0 329.488 3.186 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000343970465 164074536 /nfs/dbraw/zinc/07/45/36/164074536.db2.gz CJVHEGKMAYZSGS-FFZOFVMBSA-N 2 0 339.483 3.304 20 0 EGADRP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000344037243 164087850 /nfs/dbraw/zinc/08/78/50/164087850.db2.gz IOWWFOVCIDEEOA-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000344596274 164195972 /nfs/dbraw/zinc/19/59/72/164195972.db2.gz XGOYUWGWLUCVBH-UYAOXDASSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000345744548 164257191 /nfs/dbraw/zinc/25/71/91/164257191.db2.gz YTULQINIIGUFDD-IAGOWNOFSA-N 2 0 339.483 3.440 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000345980206 164308409 /nfs/dbraw/zinc/30/84/09/164308409.db2.gz QPRHHMCDQRDMAN-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000350319813 165029824 /nfs/dbraw/zinc/02/98/24/165029824.db2.gz FWIZGHVJMJLVIE-ZBFHGGJFSA-N 2 0 326.431 3.459 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000351620688 165105751 /nfs/dbraw/zinc/10/57/51/165105751.db2.gz QRIYLRCZGVIXGJ-HKUYNNGSSA-N 2 0 329.488 3.212 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000352141860 165254598 /nfs/dbraw/zinc/25/45/98/165254598.db2.gz TWTKIRUXGOESRZ-IBGZPJMESA-N 2 0 331.504 3.065 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000352145573 165258608 /nfs/dbraw/zinc/25/86/08/165258608.db2.gz BBMWTCDWHBLZAM-BZSNNMDCSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353435429 165770402 /nfs/dbraw/zinc/77/04/02/165770402.db2.gz AAULIXHCJJFYSB-RBUKOAKNSA-N 2 0 329.488 3.389 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000353514573 165788900 /nfs/dbraw/zinc/78/89/00/165788900.db2.gz CDQGNPNVDMLEBL-UHFFFAOYSA-N 2 0 332.879 3.488 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000353579831 165815007 /nfs/dbraw/zinc/81/50/07/165815007.db2.gz XJWAYMOAWRJOCC-UHFFFAOYSA-N 2 0 339.483 3.291 20 0 EGADRP c1ccc(C[NH+]2CCN(CCC[NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000359081158 167062148 /nfs/dbraw/zinc/06/21/48/167062148.db2.gz INHLXLMKZTUCEM-FQEVSTJZSA-N 2 0 327.516 3.140 20 0 EGADRP CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000360250234 167282094 /nfs/dbraw/zinc/28/20/94/167282094.db2.gz OHSQGAMJGJDUHZ-CJNGLKHVSA-N 2 0 331.287 3.491 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1csc(Cl)c1 ZINC000364917728 168001078 /nfs/dbraw/zinc/00/10/78/168001078.db2.gz QUXPGCCUICIACJ-OCCSQVGLSA-N 2 0 327.925 3.221 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000365803055 168044664 /nfs/dbraw/zinc/04/46/64/168044664.db2.gz WOWDHEHGIWTVCH-QFIPXVFZSA-N 2 0 347.462 3.317 20 0 EGADRP CN1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000365973319 168066237 /nfs/dbraw/zinc/06/62/37/168066237.db2.gz VJGVAQSYZXALOM-OAHLLOKOSA-N 2 0 338.377 3.279 20 0 EGADRP Cc1cnccc1OC1CCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000365997988 168069801 /nfs/dbraw/zinc/06/98/01/168069801.db2.gz DMPDTWDQRNUPNR-CYBMUJFWSA-N 2 0 328.416 3.255 20 0 EGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000366211146 168094488 /nfs/dbraw/zinc/09/44/88/168094488.db2.gz QMJGJJYXLUWRAX-HKUYNNGSSA-N 2 0 345.462 3.445 20 0 EGADRP CCc1ccccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000366671912 168127977 /nfs/dbraw/zinc/12/79/77/168127977.db2.gz CTPJEZPIHPYJLM-UHFFFAOYSA-N 2 0 329.532 3.099 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366951541 168160039 /nfs/dbraw/zinc/16/00/39/168160039.db2.gz JNZPJKHKHDZGCK-AZUAARDMSA-N 2 0 326.488 3.164 20 0 EGADRP C[C@@H](NCc1cnc2n1CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436618 168224836 /nfs/dbraw/zinc/22/48/36/168224836.db2.gz GNRYQWPDGKTMBY-IEBWSBKVSA-N 2 0 338.499 3.220 20 0 EGADRP COC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000367490803 168233320 /nfs/dbraw/zinc/23/33/20/168233320.db2.gz PNOPKVBXKOTKBO-ZENOOKHLSA-N 2 0 326.843 3.383 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367904963 168282657 /nfs/dbraw/zinc/28/26/57/168282657.db2.gz SPNVIDQDAJCSKR-MJUUVYJYSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1 ZINC000237342654 287275950 /nfs/dbraw/zinc/27/59/50/287275950.db2.gz SVOUPBMETWTWAE-QGZVFWFLSA-N 2 0 343.515 3.067 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000353444864 287318672 /nfs/dbraw/zinc/31/86/72/287318672.db2.gz IJWGLVFXYYKDHF-PMACEKPBSA-N 2 0 343.515 3.067 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000159140076 225154534 /nfs/dbraw/zinc/15/45/34/225154534.db2.gz QUOVJFTZVMDBCU-HXUWFJFHSA-N 2 0 336.495 3.483 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000159158531 225158652 /nfs/dbraw/zinc/15/86/52/225158652.db2.gz LZVGLAPDMJXPHN-DLBZAZTESA-N 2 0 334.504 3.278 20 0 EGADRP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123207578 222234842 /nfs/dbraw/zinc/23/48/42/222234842.db2.gz WWKZFSIYOCZGBT-HNNXBMFYSA-N 2 0 343.475 3.246 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000177850391 265283019 /nfs/dbraw/zinc/28/30/19/265283019.db2.gz LBZHSJIIEDOFDS-VQTJNVASSA-N 2 0 329.532 3.271 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178670708 265335276 /nfs/dbraw/zinc/33/52/76/265335276.db2.gz RHWWJHIDHAZIFB-VQTJNVASSA-N 2 0 343.515 3.196 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186603601 265540551 /nfs/dbraw/zinc/54/05/51/265540551.db2.gz UHWSBNMIEWIBLI-IRXDYDNUSA-N 2 0 335.561 3.475 20 0 EGADRP CC[NH+]1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000230972824 266205807 /nfs/dbraw/zinc/20/58/07/266205807.db2.gz GOQXLPKMYWOJEI-UHFFFAOYSA-N 2 0 327.513 3.096 20 0 EGADRP CC(C)c1ccc([C@H](NC(=O)CN2CCC([NH3+])CC2)C(C)C)cc1 ZINC000236602375 266208022 /nfs/dbraw/zinc/20/80/22/266208022.db2.gz PALRLKYVQZNFLF-HXUWFJFHSA-N 2 0 331.504 3.046 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236663903 266209893 /nfs/dbraw/zinc/20/98/93/266209893.db2.gz YAMUWRIFFNZSFP-UXHICEINSA-N 2 0 345.531 3.441 20 0 EGADRP C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000271002660 266587808 /nfs/dbraw/zinc/58/78/08/266587808.db2.gz KOIHIQSSEBSQCX-OAHLLOKOSA-N 2 0 342.487 3.188 20 0 EGADRP CSc1ccccc1C[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000272892191 266937063 /nfs/dbraw/zinc/93/70/63/266937063.db2.gz STXJWNPZKVOASL-INIZCTEOSA-N 2 0 336.545 3.164 20 0 EGADRP C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273227800 267000737 /nfs/dbraw/zinc/00/07/37/267000737.db2.gz FHYWDGMRJWPSEW-LPHOPBHVSA-N 2 0 328.500 3.407 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(N2CCOCC2)c1 ZINC000274238752 267204558 /nfs/dbraw/zinc/20/45/58/267204558.db2.gz QMKOXAJKMMHAIS-SFHVURJKSA-N 2 0 345.531 3.296 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000278411427 268007143 /nfs/dbraw/zinc/00/71/43/268007143.db2.gz HREJWPIOKOGZPG-YSGRDPCXSA-N 2 0 334.479 3.492 20 0 EGADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000278527553 268032606 /nfs/dbraw/zinc/03/26/06/268032606.db2.gz SZKGCAVTDPLNTN-WBVHZDCISA-N 2 0 345.487 3.019 20 0 EGADRP CSC1(C[NH2+][C@H]2CSCCc3ccccc32)CC[NH+](C)CC1 ZINC000353630227 274174752 /nfs/dbraw/zinc/17/47/52/274174752.db2.gz MLJSOGPLLNBGHC-KRWDZBQOSA-N 2 0 336.570 3.434 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000358298269 275053506 /nfs/dbraw/zinc/05/35/06/275053506.db2.gz MFCVVZBFQWNBEB-CEXWTWQISA-N 2 0 334.891 3.295 20 0 EGADRP C[C@H]1CCC[C@H](C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000092566971 275154588 /nfs/dbraw/zinc/15/45/88/275154588.db2.gz LNUBIILKIUGQKQ-WMZOPIPTSA-N 2 0 337.552 3.029 20 0 EGADRP CSc1ccccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000194844215 275227914 /nfs/dbraw/zinc/22/79/14/275227914.db2.gz YVNCDXBZGVCNTA-FUHWJXTLSA-N 2 0 335.561 3.331 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000278717461 275268435 /nfs/dbraw/zinc/26/84/35/275268435.db2.gz LZWBURLTLLWHHN-UIFIKXQLSA-N 2 0 329.532 3.344 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000279510304 275336253 /nfs/dbraw/zinc/33/62/53/275336253.db2.gz AIOJEXDUTCSCKE-RTWAWAEBSA-N 2 0 329.532 3.138 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000279899110 275372660 /nfs/dbraw/zinc/37/26/60/275372660.db2.gz JGKQAXYWQSBVLR-QGZVKYPTSA-N 2 0 345.531 3.256 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2cncc(F)c2)C2CC2)C[C@@H](C)O1 ZINC000281344572 275541976 /nfs/dbraw/zinc/54/19/76/275541976.db2.gz UXQLDKMDPLPBOO-CLCXKQKWSA-N 2 0 335.467 3.151 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000284450935 275801976 /nfs/dbraw/zinc/80/19/76/275801976.db2.gz SNNGSOMZUWEGOB-FDFHNCONSA-N 2 0 342.527 3.284 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000285574414 275890970 /nfs/dbraw/zinc/89/09/70/275890970.db2.gz IEGUPYDQSWTFIL-SJORKVTESA-N 2 0 329.492 3.428 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000354362490 276043991 /nfs/dbraw/zinc/04/39/91/276043991.db2.gz WTBJRZCMKVSHEB-PMACEKPBSA-N 2 0 345.531 3.276 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000286954855 276062587 /nfs/dbraw/zinc/06/25/87/276062587.db2.gz HPINYDPGHUAFBX-VQIMIIECSA-N 2 0 346.519 3.109 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000287227297 276098570 /nfs/dbraw/zinc/09/85/70/276098570.db2.gz XXWFBTLMKWNUIE-TXPKVOOTSA-N 2 0 346.519 3.108 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000287870521 276165462 /nfs/dbraw/zinc/16/54/62/276165462.db2.gz XXJBDMKVIRCFHZ-SJORKVTESA-N 2 0 342.405 3.482 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)c1 ZINC000288539927 276225617 /nfs/dbraw/zinc/22/56/17/276225617.db2.gz KTFLHGJZSMLWOQ-UHFFFAOYSA-N 2 0 327.472 3.319 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253226 /nfs/dbraw/zinc/25/32/26/276253226.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 2 0 329.532 3.348 20 0 EGADRP Cc1ccncc1CCC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289061035 276285733 /nfs/dbraw/zinc/28/57/33/276285733.db2.gz BYTBXFIHDZIRMY-OAQYLSRUSA-N 2 0 337.511 3.477 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)N1CC[NH+](C)CC1 ZINC000289276396 276314933 /nfs/dbraw/zinc/31/49/33/276314933.db2.gz PROVDZUOJIFDRZ-MOPGFXCFSA-N 2 0 329.532 3.112 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000289353399 276326436 /nfs/dbraw/zinc/32/64/36/276326436.db2.gz YFSJGDIWUXTPTI-OXJNMPFZSA-N 2 0 340.515 3.079 20 0 EGADRP Cc1cc(Cl)ccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289392960 276332237 /nfs/dbraw/zinc/33/22/37/276332237.db2.gz FFCRUJJJFXIYIO-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000289732588 276385478 /nfs/dbraw/zinc/38/54/78/276385478.db2.gz LTAJEKCNAZHKJG-ROUUACIJSA-N 2 0 340.515 3.159 20 0 EGADRP COCCOCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000289770599 276391384 /nfs/dbraw/zinc/39/13/84/276391384.db2.gz PGPNIBFFDBDJMG-HXUWFJFHSA-N 2 0 334.504 3.060 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000289993337 276431511 /nfs/dbraw/zinc/43/15/11/276431511.db2.gz OWKDVYJXRROIPZ-OALUTQOASA-N 2 0 329.488 3.042 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000291294745 276622063 /nfs/dbraw/zinc/62/20/63/276622063.db2.gz RZNJCRWMXYDSSU-FQEVSTJZSA-N 2 0 340.467 3.500 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000120887249 278174582 /nfs/dbraw/zinc/17/45/82/278174582.db2.gz LUQSLCLPADRBSD-HUUCEWRRSA-N 2 0 339.524 3.082 20 0 EGADRP CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC)cc1 ZINC000370625042 278946506 /nfs/dbraw/zinc/94/65/06/278946506.db2.gz UCJHVCCABPLSER-RXVVDRJESA-N 2 0 345.531 3.295 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000338112305 279137890 /nfs/dbraw/zinc/13/78/90/279137890.db2.gz LBBCFWCLYVOYOY-KSZLIROESA-N 2 0 345.531 3.406 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000338023061 279235802 /nfs/dbraw/zinc/23/58/02/279235802.db2.gz JSSBWMYJOSARCU-QGZVFWFLSA-N 2 0 343.515 3.275 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000370074249 280093989 /nfs/dbraw/zinc/09/39/89/280093989.db2.gz KIOIHLCGNQZLOY-GOSISDBHSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000154940926 298618256 /nfs/dbraw/zinc/61/82/56/298618256.db2.gz KMRVRKVBMUKBNL-OLZOCXBDSA-N 2 0 330.303 3.280 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000056522456 307343693 /nfs/dbraw/zinc/34/36/93/307343693.db2.gz TXAKWMVDMHLKIB-QGZVFWFLSA-N 2 0 331.504 3.294 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000414198750 309066423 /nfs/dbraw/zinc/06/64/23/309066423.db2.gz WJUAUMZMCBBWCI-NEPJUHHUSA-N 2 0 344.272 3.366 20 0 EGADRP CSC1(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000414169370 309064498 /nfs/dbraw/zinc/06/44/98/309064498.db2.gz VLXSGQZHYAZZBX-GJZGRUSLSA-N 2 0 328.566 3.386 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414175924 309064896 /nfs/dbraw/zinc/06/48/96/309064896.db2.gz ISZXCTKGJIRMKA-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414183866 309065412 /nfs/dbraw/zinc/06/54/12/309065412.db2.gz NZASDMNXIWWJKC-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000414191388 309065879 /nfs/dbraw/zinc/06/58/79/309065879.db2.gz SLDMLVBHRKWWSE-HUUCEWRRSA-N 2 0 329.488 3.299 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414191429 309065921 /nfs/dbraw/zinc/06/59/21/309065921.db2.gz SMAFELWXZIKQMB-HOTGVXAUSA-N 2 0 344.503 3.353 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000155687349 307818665 /nfs/dbraw/zinc/81/86/65/307818665.db2.gz KEVPYNASJQQJAW-GJZGRUSLSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414331270 309073311 /nfs/dbraw/zinc/07/33/11/309073311.db2.gz STSIFWVDZIMKNQ-OXJNMPFZSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000246001224 307963184 /nfs/dbraw/zinc/96/31/84/307963184.db2.gz RUHPBUYXGHNVOX-DBXWQHBBSA-N 2 0 329.532 3.092 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000248510515 308004650 /nfs/dbraw/zinc/00/46/50/308004650.db2.gz ZYIICLLUULLJLW-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP COc1cccc2c1CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C2 ZINC000249015414 308016806 /nfs/dbraw/zinc/01/68/06/308016806.db2.gz KBAMJVNCNSDFOV-LMMKCTJWSA-N 2 0 346.515 3.032 20 0 EGADRP CSc1ccc([C@@H](C[NH2+]Cc2cnccc2N(C)C)N(C)C)cc1 ZINC000293244864 308113001 /nfs/dbraw/zinc/11/30/01/308113001.db2.gz BFDGXRSQBHNQLQ-LJQANCHMSA-N 2 0 344.528 3.262 20 0 EGADRP C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259964 308114748 /nfs/dbraw/zinc/11/47/48/308114748.db2.gz GBQCPJUMCYFIOY-IAGOWNOFSA-N 2 0 331.504 3.304 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293854477 308168058 /nfs/dbraw/zinc/16/80/58/308168058.db2.gz XLUUPURHKBJKPC-MRXNPFEDSA-N 2 0 331.504 3.161 20 0 EGADRP CC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000293987616 308180467 /nfs/dbraw/zinc/18/04/67/308180467.db2.gz LLPJAYXTKDPIFJ-UHFFFAOYSA-N 2 0 344.286 3.396 20 0 EGADRP CCc1ccc([C@H](CNC(=O)C2CC[NH+](C)CC2)[NH+](CC)CC)cc1 ZINC000294604147 308237249 /nfs/dbraw/zinc/23/72/49/308237249.db2.gz NLMPOPUEIFTESY-FQEVSTJZSA-N 2 0 345.531 3.090 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000295184115 308300502 /nfs/dbraw/zinc/30/05/02/308300502.db2.gz NDZHQHCHDKAMEV-LPHOPBHVSA-N 2 0 339.483 3.240 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414704664 309096325 /nfs/dbraw/zinc/09/63/25/309096325.db2.gz MQUSUXNCPOXOMJ-DLBZAZTESA-N 2 0 326.488 3.329 20 0 EGADRP COc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414715017 309096911 /nfs/dbraw/zinc/09/69/11/309096911.db2.gz WYOYRXUZSLVKAZ-SCTDSRPQSA-N 2 0 332.488 3.064 20 0 EGADRP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414715020 309096931 /nfs/dbraw/zinc/09/69/31/309096931.db2.gz WYOYRXUZSLVKAZ-YQVWRLOYSA-N 2 0 332.488 3.064 20 0 EGADRP COc1cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c(SC)cc1OC ZINC000414715978 309097084 /nfs/dbraw/zinc/09/70/84/309097084.db2.gz WJJJDCUYAUDFBR-UONOGXRCSA-N 2 0 338.517 3.246 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296702183 308457381 /nfs/dbraw/zinc/45/73/81/308457381.db2.gz IFFWZEQRMBQCLI-GOSISDBHSA-N 2 0 344.499 3.351 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000414719124 309097362 /nfs/dbraw/zinc/09/73/62/309097362.db2.gz XKOBAIWAZUZJIC-IBGZPJMESA-N 2 0 344.503 3.310 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000297369355 308527294 /nfs/dbraw/zinc/52/72/94/308527294.db2.gz GJGXDSMDPLWLNP-DYESRHJHSA-N 2 0 338.499 3.331 20 0 EGADRP C[C@H]1C[C@@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000414752656 309098820 /nfs/dbraw/zinc/09/88/20/309098820.db2.gz LAEBKLSWJJAYSH-FPOVZHCZSA-N 3 0 341.543 3.363 20 0 EGADRP C[C@@H]1CN(c2ccccc2C[NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000297447797 308534628 /nfs/dbraw/zinc/53/46/28/308534628.db2.gz OVOCVMNZIVLNTK-LJQANCHMSA-N 2 0 345.531 3.267 20 0 EGADRP FC(F)(F)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414772315 309100036 /nfs/dbraw/zinc/10/00/36/309100036.db2.gz UBABFOZFRLPXQC-GASCZTMLSA-N 2 0 328.378 3.059 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Oc1cccc(F)c1 ZINC000297686987 308555954 /nfs/dbraw/zinc/55/59/54/308555954.db2.gz PPNRKIIQIXKIGY-HNNXBMFYSA-N 2 0 329.419 3.247 20 0 EGADRP FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783195 309100861 /nfs/dbraw/zinc/10/08/61/309100861.db2.gz PNUSGQNTZLNWJC-ZIAGYGMSSA-N 2 0 328.378 3.407 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414799587 309102230 /nfs/dbraw/zinc/10/22/30/309102230.db2.gz KDNUILOEXAMVLZ-GXTWGEPZSA-N 2 0 334.357 3.374 20 0 EGADRP CSc1cc2c(cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1)OCCO2 ZINC000414806124 309102493 /nfs/dbraw/zinc/10/24/93/309102493.db2.gz HFOGYCNYYFHMSQ-ZDUSSCGKSA-N 2 0 344.480 3.489 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000302040343 308726610 /nfs/dbraw/zinc/72/66/10/308726610.db2.gz NKGMNXTZKDYRDR-KRWDZBQOSA-N 2 0 339.483 3.264 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000305133346 308758483 /nfs/dbraw/zinc/75/84/83/308758483.db2.gz MPRGNPYVJIZRMV-IAGOWNOFSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414845157 309105161 /nfs/dbraw/zinc/10/51/61/309105161.db2.gz FIHXDXAXYDKSSA-MRXNPFEDSA-N 2 0 330.451 3.108 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000326511446 308770939 /nfs/dbraw/zinc/77/09/39/308770939.db2.gz AOJHJFNPRHZBKG-IPMKNSEASA-N 2 0 331.504 3.093 20 0 EGADRP Cc1csc(N2CCC([NH2+]CC[C@H](C)[NH+]3CCCCC3)CC2)n1 ZINC000376355897 308900179 /nfs/dbraw/zinc/90/01/79/308900179.db2.gz UHIHKGGVEKMNQE-INIZCTEOSA-N 2 0 336.549 3.274 20 0 EGADRP COC(=O)CC1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCC1 ZINC000411478969 308940758 /nfs/dbraw/zinc/94/07/58/308940758.db2.gz LIETZEPPCLRBKS-UHFFFAOYSA-N 2 0 330.472 3.248 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)c2cc1OC ZINC000413286117 309025096 /nfs/dbraw/zinc/02/50/96/309025096.db2.gz YNQQFBAMJVPCAF-LSDHHAIUSA-N 2 0 341.455 3.315 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414849831 309105523 /nfs/dbraw/zinc/10/55/23/309105523.db2.gz MDKJWSZQMCHWAJ-HNNXBMFYSA-N 2 0 332.879 3.313 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414863776 309106159 /nfs/dbraw/zinc/10/61/59/309106159.db2.gz YEIMJDOFISFOQM-JSGCOSHPSA-N 2 0 346.393 3.114 20 0 EGADRP CCC[NH2+]CCNCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414872746 309106533 /nfs/dbraw/zinc/10/65/33/309106533.db2.gz QACPERSVKSFOBG-UHFFFAOYSA-N 2 0 349.482 3.083 20 0 EGADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414899477 309108179 /nfs/dbraw/zinc/10/81/79/309108179.db2.gz CKLHKCALJTZDBE-INIZCTEOSA-N 2 0 346.393 3.116 20 0 EGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)CC[NH3+])cc3)nc12 ZINC000414901356 309108289 /nfs/dbraw/zinc/10/82/89/309108289.db2.gz WXTUHHLXHFIIIA-MRXNPFEDSA-N 2 0 338.455 3.049 20 0 EGADRP COCC1(C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)CC[NH2+]CC1 ZINC000414973714 309112343 /nfs/dbraw/zinc/11/23/43/309112343.db2.gz LLWQCDCGWHRKJL-UHFFFAOYSA-N 2 0 342.430 3.011 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414982045 309112810 /nfs/dbraw/zinc/11/28/10/309112810.db2.gz YEZASUOQTCXKLM-BQJUDKOJSA-N 3 0 327.516 3.019 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000415010040 309114020 /nfs/dbraw/zinc/11/40/20/309114020.db2.gz URXZVRVCTCBCKK-SPYJTGKRSA-N 3 0 327.516 3.289 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000415008287 309114088 /nfs/dbraw/zinc/11/40/88/309114088.db2.gz SFIVKDSPVJKODC-ZNMIVQPWSA-N 2 0 337.895 3.473 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cccc3c2NCC3)cc1 ZINC000415013637 309114227 /nfs/dbraw/zinc/11/42/27/309114227.db2.gz YRFSQBOPYCRCAX-QUCCMNQESA-N 2 0 339.458 3.277 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1Br ZINC000415015734 309114386 /nfs/dbraw/zinc/11/43/86/309114386.db2.gz ZDBPEGPMAGZNBZ-SWLSCSKDSA-N 2 0 327.241 3.066 20 0 EGADRP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015022 309114448 /nfs/dbraw/zinc/11/44/48/309114448.db2.gz XQLDRZBPAIVGQV-LSDHHAIUSA-N 2 0 328.378 3.105 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415022315 309114828 /nfs/dbraw/zinc/11/48/28/309114828.db2.gz LGVRHUBHIZGAII-VIFPVBQESA-N 2 0 337.208 3.268 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000415024859 309114880 /nfs/dbraw/zinc/11/48/80/309114880.db2.gz PTNXMIXVGXCMSY-RYUDHWBXSA-N 2 0 331.382 3.140 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 ZINC000415053306 309116754 /nfs/dbraw/zinc/11/67/54/309116754.db2.gz MLHGGCSJVYQBPF-QGZVFWFLSA-N 2 0 330.501 3.182 20 0 EGADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415055395 309116887 /nfs/dbraw/zinc/11/68/87/309116887.db2.gz OSMSOYCDHLZHMD-IEBWSBKVSA-N 2 0 331.504 3.237 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[NH2+]C1CC1 ZINC000415069540 309118084 /nfs/dbraw/zinc/11/80/84/309118084.db2.gz OVZCWQDANCNWFI-LLVKDONJSA-N 2 0 329.257 3.251 20 0 EGADRP COc1ccc([C@H](CNCC[NH2+]C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000415077448 309118656 /nfs/dbraw/zinc/11/86/56/309118656.db2.gz FCRCCERXCAVGBC-IBGZPJMESA-N 2 0 333.520 3.200 20 0 EGADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415085194 309119150 /nfs/dbraw/zinc/11/91/50/309119150.db2.gz QMJVNINRPUGSDN-RZXSNQJFSA-N 2 0 342.531 3.117 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415084354 309119192 /nfs/dbraw/zinc/11/91/92/309119192.db2.gz OWSGUXVTPYJYAD-HKUYNNGSSA-N 2 0 326.488 3.315 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415085066 309119214 /nfs/dbraw/zinc/11/92/14/309119214.db2.gz HTJSWFQDQIONEP-QRQLOZEOSA-N 2 0 335.536 3.068 20 0 EGADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415090218 309119501 /nfs/dbraw/zinc/11/95/01/309119501.db2.gz XRFHPJHVKBHGFQ-SLFFLAALSA-N 2 0 342.531 3.472 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCCc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000415102987 309120378 /nfs/dbraw/zinc/12/03/78/309120378.db2.gz FFOQXOHBOWFPEH-AWEZNQCLSA-N 2 0 331.287 3.366 20 0 EGADRP CC1(C)Cc2cccc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)c2O1 ZINC000415108241 309120825 /nfs/dbraw/zinc/12/08/25/309120825.db2.gz MAGNFRYKIZPTIC-QUCCMNQESA-N 2 0 344.499 3.118 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000415117484 309121361 /nfs/dbraw/zinc/12/13/61/309121361.db2.gz ZKXRKWVEDXYFKA-DZGCQCFKSA-N 2 0 348.434 3.485 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)C1 ZINC000415125590 309122205 /nfs/dbraw/zinc/12/22/05/309122205.db2.gz OMCNRVZBGKUAKN-JSGCOSHPSA-N 2 0 348.434 3.485 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415130820 309122726 /nfs/dbraw/zinc/12/27/26/309122726.db2.gz XYBHGPSHHMXFGW-PZJWPPBQSA-N 2 0 346.515 3.440 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)cs1 ZINC000415134810 309122970 /nfs/dbraw/zinc/12/29/70/309122970.db2.gz WEVNEFAIAJBSLB-RHSMWYFYSA-N 2 0 345.512 3.447 20 0 EGADRP NC1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137522 309123147 /nfs/dbraw/zinc/12/31/47/309123147.db2.gz UFSKYDDLJJMCEO-WOJBJXKFSA-N 2 0 327.516 3.148 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000415138287 309123278 /nfs/dbraw/zinc/12/32/78/309123278.db2.gz YUXZPYKIYJAYON-VQIMIIECSA-N 2 0 325.456 3.077 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000415919455 309148607 /nfs/dbraw/zinc/14/86/07/309148607.db2.gz NHCWJHBFJFKPSM-UHFFFAOYSA-N 2 0 332.492 3.184 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000415921639 309148892 /nfs/dbraw/zinc/14/88/92/309148892.db2.gz RWRPHHWKJDKVIR-INIZCTEOSA-N 2 0 340.471 3.048 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415935191 309149874 /nfs/dbraw/zinc/14/98/74/309149874.db2.gz RGDRCFGSLDSITR-KRWDZBQOSA-N 2 0 346.519 3.430 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000416122620 309159529 /nfs/dbraw/zinc/15/95/29/309159529.db2.gz JWXUCDGEXHDQBQ-GOSISDBHSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000416239252 309165185 /nfs/dbraw/zinc/16/51/85/309165185.db2.gz KJPQXJVZXHXISU-XLIONFOSSA-N 2 0 343.515 3.012 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000416977269 309188568 /nfs/dbraw/zinc/18/85/68/309188568.db2.gz CIYLJGMPQAVOEP-IBGZPJMESA-N 2 0 348.535 3.043 20 0 EGADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417691337 309218233 /nfs/dbraw/zinc/21/82/33/309218233.db2.gz MSFHHASPNPUOIQ-QFBILLFUSA-N 2 0 346.519 3.029 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000417699650 309218518 /nfs/dbraw/zinc/21/85/18/309218518.db2.gz HMMCMTFRGQQOGS-MRXNPFEDSA-N 2 0 346.519 3.077 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418127729 309236648 /nfs/dbraw/zinc/23/66/48/309236648.db2.gz AHDALZMNWDJVDM-QGZVFWFLSA-N 2 0 339.474 3.074 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000418344191 309243454 /nfs/dbraw/zinc/24/34/54/309243454.db2.gz GDBOOQDCNHGHGS-SFHVURJKSA-N 2 0 348.535 3.229 20 0 EGADRP COc1ccc(CC[C@H]2CCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1OC ZINC000420300381 309280122 /nfs/dbraw/zinc/28/01/22/309280122.db2.gz KFAFHQYAXIMDLZ-RTBURBONSA-N 2 0 346.515 3.491 20 0 EGADRP C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1c1ccccc1 ZINC000420302505 309280361 /nfs/dbraw/zinc/28/03/61/309280361.db2.gz MKCBAKRCRUFOEE-XGARDCMYSA-N 2 0 338.495 3.043 20 0 EGADRP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000420305314 309280617 /nfs/dbraw/zinc/28/06/17/309280617.db2.gz PJGLWIVXHHYJBM-BZSNNMDCSA-N 2 0 330.497 3.124 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000420305962 309280638 /nfs/dbraw/zinc/28/06/38/309280638.db2.gz QENOCOMUIHXTJX-KYRVCDIISA-N 2 0 349.563 3.170 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC000420305940 309280822 /nfs/dbraw/zinc/28/08/22/309280822.db2.gz QENOCOMUIHXTJX-GFLQDLJJSA-N 2 0 349.563 3.170 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420308289 309280967 /nfs/dbraw/zinc/28/09/67/309280967.db2.gz NJSBGQJWUUWSHC-JLJPHGGASA-N 2 0 342.439 3.169 20 0 EGADRP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420320018 309281811 /nfs/dbraw/zinc/28/18/11/309281811.db2.gz QAFLMJRXYZTDNR-GOSISDBHSA-N 2 0 326.488 3.229 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](c2ncccc2C)C(C)C)cc1 ZINC000420319618 309281952 /nfs/dbraw/zinc/28/19/52/309281952.db2.gz PHVHHYIGFROGHQ-MJGOQNOKSA-N 2 0 327.472 3.428 20 0 EGADRP CC(C)(C)c1cccc(OCC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420327663 309282473 /nfs/dbraw/zinc/28/24/73/309282473.db2.gz LQVXGFLJHCBMEN-GOSISDBHSA-N 2 0 346.515 3.050 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(OCCC(C)C)CC2)cc1 ZINC000420328404 309282607 /nfs/dbraw/zinc/28/26/07/309282607.db2.gz ZIKKMJKDBYCACG-SFHVURJKSA-N 2 0 334.504 3.265 20 0 EGADRP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420335364 309282898 /nfs/dbraw/zinc/28/28/98/309282898.db2.gz HFAHYHOCYHWJLE-LSDHHAIUSA-N 2 0 346.862 3.212 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336656 309282927 /nfs/dbraw/zinc/28/29/27/309282927.db2.gz IZADOGIBMDCONK-QZTJIDSGSA-N 2 0 343.515 3.378 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000420377822 309285281 /nfs/dbraw/zinc/28/52/81/309285281.db2.gz LGUFDWWFKBTNEC-IRXDYDNUSA-N 2 0 326.843 3.197 20 0 EGADRP CC(C)c1ccc(-c2ncc(C[NH+]3CCC(O)(C[NH3+])CC3)s2)cc1 ZINC000420399890 309286556 /nfs/dbraw/zinc/28/65/56/309286556.db2.gz CKRCWNQBHNMXFB-UHFFFAOYSA-N 2 0 345.512 3.219 20 0 EGADRP c1cncc([C@H]2CCC[N@H+]2Cc2cccc(CN3CCOCC3)c2)c1 ZINC000420933344 309302121 /nfs/dbraw/zinc/30/21/21/309302121.db2.gz ICGZBYOYQVRLTI-OAQYLSRUSA-N 2 0 337.467 3.251 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000420981262 309305645 /nfs/dbraw/zinc/30/56/45/309305645.db2.gz MWSXXNLPZSFHMT-QGZVFWFLSA-N 2 0 333.495 3.379 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3scnc3C3CC3)CC2)CC1 ZINC000421374062 309321482 /nfs/dbraw/zinc/32/14/82/309321482.db2.gz NCMDANLKSLJJRF-UHFFFAOYSA-N 2 0 348.560 3.013 20 0 EGADRP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CCCC1 ZINC000421826141 309341818 /nfs/dbraw/zinc/34/18/18/309341818.db2.gz RCKNLXLFKCUESK-UYAOXDASSA-N 2 0 330.516 3.488 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421849248 309343239 /nfs/dbraw/zinc/34/32/39/309343239.db2.gz BMECSZOIRSEYTD-TZIWHRDSSA-N 2 0 335.495 3.441 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000422563643 309361780 /nfs/dbraw/zinc/36/17/80/309361780.db2.gz UAQXMHQLQLPTAP-FUHIMQAGSA-N 2 0 339.483 3.466 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)NC(C)(C)CC[NH3+])CCCC1)c1ccccc1 ZINC000422597313 309362338 /nfs/dbraw/zinc/36/23/38/309362338.db2.gz KDEYVDFNBWPQEK-INIZCTEOSA-N 2 0 346.519 3.077 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)ccc2o1 ZINC000422637396 309363060 /nfs/dbraw/zinc/36/30/60/309363060.db2.gz OOHNPQTYVHEFML-ZENOOKHLSA-N 2 0 330.428 3.025 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@@H](C)CCCC[NH3+])ccn2)cc1 ZINC000422694486 309363314 /nfs/dbraw/zinc/36/33/14/309363314.db2.gz OGVSUHPFGBYETR-HNNXBMFYSA-N 2 0 329.444 3.490 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422699389 309363581 /nfs/dbraw/zinc/36/35/81/309363581.db2.gz DFSLMEXJFMSZJX-GJZGRUSLSA-N 2 0 329.257 3.380 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422701321 309363748 /nfs/dbraw/zinc/36/37/48/309363748.db2.gz DFFITFPASIGZSJ-APWZRJJASA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701415 309363879 /nfs/dbraw/zinc/36/38/79/309363879.db2.gz IMQWGJQABKUSKJ-MAZHCROVSA-N 2 0 342.405 3.079 20 0 EGADRP C[C@@H]([NH2+]CCc1cccc(OCCCc2ccccc2)c1)C1C[NH2+]C1 ZINC000422713144 309364527 /nfs/dbraw/zinc/36/45/27/309364527.db2.gz PGSUZGVPXVWNIB-GOSISDBHSA-N 2 0 338.495 3.438 20 0 EGADRP CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422725701 309365168 /nfs/dbraw/zinc/36/51/68/309365168.db2.gz CAUMAQNCMWEYDF-VQTJNVASSA-N 2 0 329.532 3.191 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCCN(C)c1ccccc1 ZINC000422741371 309366225 /nfs/dbraw/zinc/36/62/25/309366225.db2.gz PRJXZNOKLSZBKC-RXVVDRJESA-N 2 0 325.500 3.451 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)c2cccs2)CC1 ZINC000422747362 309366232 /nfs/dbraw/zinc/36/62/32/309366232.db2.gz PYZOIUCBIJAUJU-FGTMMUONSA-N 2 0 335.561 3.499 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000422755214 309366810 /nfs/dbraw/zinc/36/68/10/309366810.db2.gz FQLXLXPPCUDAAS-UEXGIBASSA-N 2 0 336.435 3.356 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422761025 309366923 /nfs/dbraw/zinc/36/69/23/309366923.db2.gz MMGUYWVOSRAGTJ-YSSFQJQWSA-N 2 0 345.918 3.491 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000422761890 309366991 /nfs/dbraw/zinc/36/69/91/309366991.db2.gz NCAOAXKBNBKKDM-ZYSHUDEJSA-N 2 0 334.479 3.370 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)CC[NH2+]CC1 ZINC000422765816 309367093 /nfs/dbraw/zinc/36/70/93/309367093.db2.gz LHIBTVIJQPUQIS-HUUCEWRRSA-N 2 0 344.455 3.405 20 0 EGADRP C[C@H](C[C@H]1COCC[NH2+]1)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000422774014 309367760 /nfs/dbraw/zinc/36/77/60/309367760.db2.gz ZSWFRQQGBAYAJX-GGPKGHCWSA-N 2 0 345.531 3.007 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422775538 309367802 /nfs/dbraw/zinc/36/78/02/309367802.db2.gz BSNLIZWMHKLQEI-KXBFYZLASA-N 2 0 341.455 3.490 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(C)cc(C)cc2C)CC[NH2+]CC1 ZINC000422782410 309367992 /nfs/dbraw/zinc/36/79/92/309367992.db2.gz MWGQUMWECQJXQX-QGZVFWFLSA-N 2 0 332.488 3.023 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422784058 309368022 /nfs/dbraw/zinc/36/80/22/309368022.db2.gz PEGMHIKTIQPLES-SNRMKQJTSA-N 2 0 326.440 3.321 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422793025 309368498 /nfs/dbraw/zinc/36/84/98/309368498.db2.gz XMSSRAFDHSEWFE-KBXCAEBGSA-N 2 0 327.428 3.100 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422797406 309368819 /nfs/dbraw/zinc/36/88/19/309368819.db2.gz MKBPTRPPEHBKBM-UYAOXDASSA-N 2 0 326.415 3.480 20 0 EGADRP COCc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422804078 309369336 /nfs/dbraw/zinc/36/93/36/309369336.db2.gz JVOBODHUSNRYLX-PZJWPPBQSA-N 2 0 338.451 3.179 20 0 EGADRP CCC(CC)[C@@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)[NH+]1CCCC1 ZINC000422818200 309370068 /nfs/dbraw/zinc/37/00/68/309370068.db2.gz JTBKEXKTTZQTDA-FOIQADDNSA-N 2 0 332.536 3.400 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422817270 309370201 /nfs/dbraw/zinc/37/02/01/309370201.db2.gz CRFOLOXGXOXRFB-YJBOKZPZSA-N 2 0 340.467 3.241 20 0 EGADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422817735 309370209 /nfs/dbraw/zinc/37/02/09/309370209.db2.gz IDRYVVGBONXMCM-YIDVYQOGSA-N 2 0 334.426 3.102 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000422821660 309370408 /nfs/dbraw/zinc/37/04/08/309370408.db2.gz XRWYCPUEYJHHTE-SJORKVTESA-N 2 0 341.421 3.385 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829847 309370709 /nfs/dbraw/zinc/37/07/09/309370709.db2.gz VBAZRXWNWODMRQ-IAGOWNOFSA-N 2 0 340.515 3.410 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000422835754 309371234 /nfs/dbraw/zinc/37/12/34/309371234.db2.gz JAJYDQWKUSEBDB-AGOPTVSRSA-N 2 0 338.495 3.355 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422845362 309371598 /nfs/dbraw/zinc/37/15/98/309371598.db2.gz BREBRSHEEGKOOQ-CWFSZBLJSA-N 2 0 332.488 3.240 20 0 EGADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422875471 309373235 /nfs/dbraw/zinc/37/32/35/309373235.db2.gz CRLXOYMTSLCLGX-IPMKNSEASA-N 2 0 328.504 3.082 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422878686 309373375 /nfs/dbraw/zinc/37/33/75/309373375.db2.gz JPAMLSYJIHDWID-OPYAIIAOSA-N 3 0 329.532 3.396 20 0 EGADRP CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422883976 309373951 /nfs/dbraw/zinc/37/39/51/309373951.db2.gz WDJXMZJCOWPFSM-FCEWJHQRSA-N 2 0 346.519 3.109 20 0 EGADRP COCc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422886724 309374296 /nfs/dbraw/zinc/37/42/96/309374296.db2.gz XHCWRXLDMGTJLK-TZIWHRDSSA-N 2 0 338.451 3.179 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000422890129 309374462 /nfs/dbraw/zinc/37/44/62/309374462.db2.gz RGZBSGMJMFWAFZ-IRXDYDNUSA-N 2 0 332.488 3.275 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cn2)c1 ZINC000422895949 309374774 /nfs/dbraw/zinc/37/47/74/309374774.db2.gz GWZWMYBNIXOVIC-CRAIPNDOSA-N 2 0 327.428 3.100 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CCCCC2)cc1 ZINC000422898754 309375096 /nfs/dbraw/zinc/37/50/96/309375096.db2.gz FUKHNVAYCRJWEA-NSISKUIASA-N 2 0 346.515 3.239 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000422901511 309375243 /nfs/dbraw/zinc/37/52/43/309375243.db2.gz LDTMGHNLBSCZOF-SNRMKQJTSA-N 2 0 334.479 3.370 20 0 EGADRP FC(F)n1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc2ccccc21 ZINC000422909947 309375744 /nfs/dbraw/zinc/37/57/44/309375744.db2.gz GZHAOJXGIQLNLQ-RRFJBIMHSA-N 2 0 348.441 3.484 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422912099 309375804 /nfs/dbraw/zinc/37/58/04/309375804.db2.gz VJQQWSSCQAPZKS-KBMXLJTQSA-N 2 0 337.895 3.034 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)Cc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000422918428 309376288 /nfs/dbraw/zinc/37/62/88/309376288.db2.gz IAJXVLJOMPSVIY-ROUUACIJSA-N 2 0 346.515 3.145 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422924988 309376349 /nfs/dbraw/zinc/37/63/49/309376349.db2.gz ZOSITAFHUBPTBQ-YWPYICTPSA-N 2 0 328.859 3.099 20 0 EGADRP Fc1cccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422939699 309377113 /nfs/dbraw/zinc/37/71/13/309377113.db2.gz IEKUZFAQQKPMHB-QUCCMNQESA-N 2 0 342.414 3.050 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422941477 309377326 /nfs/dbraw/zinc/37/73/26/309377326.db2.gz OQGJRQZQQPFATN-SLFFLAALSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965960 309378813 /nfs/dbraw/zinc/37/88/13/309378813.db2.gz QIIQJSXFENYSNW-UZLBHIALSA-N 2 0 326.488 3.488 20 0 EGADRP COCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422969615 309378871 /nfs/dbraw/zinc/37/88/71/309378871.db2.gz UWFSPSRGOQMDJB-VAMGGRTRSA-N 2 0 331.504 3.145 20 0 EGADRP COCCCOc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423003697 309380331 /nfs/dbraw/zinc/38/03/31/309380331.db2.gz NBHFOFVBPJVBIL-OAHLLOKOSA-N 2 0 343.471 3.115 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423003010 309380448 /nfs/dbraw/zinc/38/04/48/309380448.db2.gz KNKORODQQWWIMV-KOUHRCEDSA-N 2 0 329.532 3.407 20 0 EGADRP COc1ccc(Oc2ccc(CC[NH2+][C@H](C)C3C[NH2+]C3)cc2)cc1 ZINC000423010479 309380724 /nfs/dbraw/zinc/38/07/24/309380724.db2.gz GMLAUFKILKNFTF-OAHLLOKOSA-N 2 0 326.440 3.228 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423013274 309380970 /nfs/dbraw/zinc/38/09/70/309380970.db2.gz MMIPWZCFMPJOTC-JXFKEZNVSA-N 2 0 342.483 3.185 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000423013139 309380986 /nfs/dbraw/zinc/38/09/86/309380986.db2.gz MEGJXKOAYHCDAT-PCCBWWKXSA-N 2 0 338.499 3.488 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423013064 309381006 /nfs/dbraw/zinc/38/10/06/309381006.db2.gz LZVGKYVSEOQYCT-HRAATJIYSA-N 2 0 334.467 3.135 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423042374 309382511 /nfs/dbraw/zinc/38/25/11/309382511.db2.gz KWJBMSIRLORWFZ-DCGLDWPTSA-N 2 0 325.859 3.165 20 0 EGADRP C[C@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C1C[NH2+]C1 ZINC000423044519 309382720 /nfs/dbraw/zinc/38/27/20/309382720.db2.gz ASLPFSJPHLYREC-VFZGTOFNSA-N 2 0 327.241 3.237 20 0 EGADRP C[C@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000423046188 309382833 /nfs/dbraw/zinc/38/28/33/309382833.db2.gz FBRBITHZEMCEFE-XKQJLSEDSA-N 2 0 343.437 3.428 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423055935 309383305 /nfs/dbraw/zinc/38/33/05/309383305.db2.gz XFBGFIOMCLXCQH-GZRFBZBPSA-N 2 0 325.456 3.420 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)CCO2 ZINC000423053739 309383319 /nfs/dbraw/zinc/38/33/19/309383319.db2.gz SSWBIUGHJYBXGN-ACJLOTCBSA-N 2 0 327.428 3.032 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000423066144 309384081 /nfs/dbraw/zinc/38/40/81/309384081.db2.gz WDEZUWYVUFUGNJ-NRXISQOPSA-N 2 0 341.421 3.391 20 0 EGADRP CCOC1CC(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423073750 309384485 /nfs/dbraw/zinc/38/44/85/309384485.db2.gz SEYUFVIHJKRHPI-JQGZUDLISA-N 2 0 330.472 3.037 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1C[NH2+]C1 ZINC000423072613 309384498 /nfs/dbraw/zinc/38/44/98/309384498.db2.gz PVEHKCQBKFIPKT-SMDDNHRTSA-N 2 0 328.287 3.160 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1Cl ZINC000423075307 309384688 /nfs/dbraw/zinc/38/46/88/309384688.db2.gz WNNWIQZTEBZUPG-YSVLISHTSA-N 2 0 340.895 3.361 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423084092 309385256 /nfs/dbraw/zinc/38/52/56/309385256.db2.gz HGSXSAMPCBTEMB-MAKTXDPSSA-N 2 0 330.516 3.443 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423124614 309387004 /nfs/dbraw/zinc/38/70/04/309387004.db2.gz OVTJGHRQCCTMLG-SMDDNHRTSA-N 2 0 336.277 3.190 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+]C2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000423131365 309387384 /nfs/dbraw/zinc/38/73/84/309387384.db2.gz SQVPJWGTQUJRJJ-NLPFYKDJSA-N 2 0 333.520 3.184 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423129885 309387424 /nfs/dbraw/zinc/38/74/24/309387424.db2.gz FYBQFJNAWMEVHE-QRFRQXIXSA-N 2 0 344.499 3.091 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423138975 309387968 /nfs/dbraw/zinc/38/79/68/309387968.db2.gz USDAVNWFRKPPRW-JTQLQIEISA-N 2 0 339.361 3.440 20 0 EGADRP COCC1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423174410 309389175 /nfs/dbraw/zinc/38/91/75/309389175.db2.gz CAXWWWOKACDCKW-AURQOUSISA-N 2 0 330.472 3.037 20 0 EGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423212076 309390652 /nfs/dbraw/zinc/39/06/52/309390652.db2.gz ZPXJOFLECTZRRQ-INIZCTEOSA-N 2 0 343.446 3.174 20 0 EGADRP Brc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423216332 309390895 /nfs/dbraw/zinc/39/08/95/309390895.db2.gz RRFKQGLDCYBNQB-DYVFJYSZSA-N 2 0 337.305 3.359 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000423249597 309392388 /nfs/dbraw/zinc/39/23/88/309392388.db2.gz OYWKLQRURLPOTE-NEPJUHHUSA-N 2 0 327.266 3.108 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cnn1-c1ccc(F)cc1 ZINC000423265010 309393022 /nfs/dbraw/zinc/39/30/22/309393022.db2.gz AOOWUIGYQBOSHI-ZBQZNYHESA-N 2 0 330.451 3.488 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423282455 309393881 /nfs/dbraw/zinc/39/38/81/309393881.db2.gz WQIKMUCESWFDJE-GHTZIAJQSA-N 2 0 339.483 3.353 20 0 EGADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423300611 309394426 /nfs/dbraw/zinc/39/44/26/309394426.db2.gz SAUXCFGSCDGXDK-MXEMCNAFSA-N 2 0 329.532 3.394 20 0 EGADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1C[NH2+]C1 ZINC000423304909 309394689 /nfs/dbraw/zinc/39/46/89/309394689.db2.gz PULOBVIEAVHPMH-GFCCVEGCSA-N 2 0 349.272 3.179 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423315989 309394812 /nfs/dbraw/zinc/39/48/12/309394812.db2.gz JMJDTQFFTLSIAX-SFHVURJKSA-N 2 0 331.504 3.044 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000423320121 309394903 /nfs/dbraw/zinc/39/49/03/309394903.db2.gz DCFVMCJXIAHAKT-GPMSIDNRSA-N 2 0 329.488 3.388 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H](C)[NH3+] ZINC000423324731 309395082 /nfs/dbraw/zinc/39/50/82/309395082.db2.gz IFSOVTWRWOVUIU-YLJYHZDGSA-N 2 0 345.531 3.154 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423322345 309395099 /nfs/dbraw/zinc/39/50/99/309395099.db2.gz GYNWZLCGLXWPLE-IEBWSBKVSA-N 2 0 345.531 3.483 20 0 EGADRP CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423326377 309395363 /nfs/dbraw/zinc/39/53/63/309395363.db2.gz KLGFOVOAXMAKET-HBMCJLEFSA-N 3 0 341.543 3.409 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)ccc1OC(F)F ZINC000423341783 309396196 /nfs/dbraw/zinc/39/61/96/309396196.db2.gz WXLGTLIIQIUTHI-GFCCVEGCSA-N 2 0 328.403 3.337 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000423371160 309397515 /nfs/dbraw/zinc/39/75/15/309397515.db2.gz HOFDLOMEVOUHOH-ZWKOTPCHSA-N 2 0 343.515 3.435 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423381707 309398003 /nfs/dbraw/zinc/39/80/03/309398003.db2.gz OLWQYPDAZFDBLQ-RVKKMQEKSA-N 2 0 332.492 3.351 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423381699 309398035 /nfs/dbraw/zinc/39/80/35/309398035.db2.gz OLWQYPDAZFDBLQ-MPGHIAIKSA-N 2 0 332.492 3.351 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423388213 309398266 /nfs/dbraw/zinc/39/82/66/309398266.db2.gz IHRLGRQNPMFGRB-ZQOQTTQJSA-N 3 0 341.543 3.265 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423403235 309398749 /nfs/dbraw/zinc/39/87/49/309398749.db2.gz RUKPWUSVWOQKHJ-YCRPNKLZSA-N 2 0 334.467 3.353 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC[NH2+]CC1 ZINC000423402275 309398766 /nfs/dbraw/zinc/39/87/66/309398766.db2.gz GYAMPSKDITZORA-GOSISDBHSA-N 2 0 332.488 3.123 20 0 EGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423411897 309399118 /nfs/dbraw/zinc/39/91/18/309399118.db2.gz VRTAZIXAPLYCDL-AWEZNQCLSA-N 2 0 340.895 3.406 20 0 EGADRP COC[C@]1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCC[NH2+]1 ZINC000423414239 309399274 /nfs/dbraw/zinc/39/92/74/309399274.db2.gz MIOCZERINYFDRN-BCUIYNNISA-N 2 0 328.909 3.252 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423427544 309400157 /nfs/dbraw/zinc/40/01/57/309400157.db2.gz IMRKYCTXGQXNRL-HZPDHXFCSA-N 2 0 330.476 3.167 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423440264 309400681 /nfs/dbraw/zinc/40/06/81/309400681.db2.gz ORSRJVGULWHYAO-SNRMKQJTSA-N 2 0 331.504 3.337 20 0 EGADRP CCOC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423477981 309401786 /nfs/dbraw/zinc/40/17/86/309401786.db2.gz STDPFNFLGOFANY-PIKOESSRSA-N 2 0 334.479 3.314 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423541362 309405684 /nfs/dbraw/zinc/40/56/84/309405684.db2.gz KQWQNMBTZRELFJ-SZVBFZGTSA-N 2 0 347.934 3.282 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424002873 309424879 /nfs/dbraw/zinc/42/48/79/309424879.db2.gz QUCJUWXGVNPSEH-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)CC1CCCCC1 ZINC000424126288 309430143 /nfs/dbraw/zinc/43/01/43/309430143.db2.gz BHBGISDRJUCCCF-MOPGFXCFSA-N 2 0 335.536 3.151 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)CC1CCCCC1 ZINC000424144827 309430663 /nfs/dbraw/zinc/43/06/63/309430663.db2.gz MDUJQJZAJLLRNO-RTBURBONSA-N 2 0 335.536 3.009 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424378226 309441145 /nfs/dbraw/zinc/44/11/45/309441145.db2.gz NLRHNXAYUKVEJD-QUCCMNQESA-N 2 0 345.531 3.026 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424423564 309443023 /nfs/dbraw/zinc/44/30/23/309443023.db2.gz GOSAZUSFFLPANT-UHFFFAOYSA-N 2 0 332.492 3.184 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000430572406 309611117 /nfs/dbraw/zinc/61/11/17/309611117.db2.gz JVXAWNWLQDBDHX-AWEZNQCLSA-N 2 0 337.895 3.297 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000433132912 309679665 /nfs/dbraw/zinc/67/96/65/309679665.db2.gz NCWOPKHGQIORAE-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443603959 309904365 /nfs/dbraw/zinc/90/43/65/309904365.db2.gz NGFXOMYJNMWNEL-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+](CC)CC ZINC000443973136 309910889 /nfs/dbraw/zinc/91/08/89/309910889.db2.gz ZGTSUKXYFFXPKN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000447728366 309986959 /nfs/dbraw/zinc/98/69/59/309986959.db2.gz LFVLBORMZMNQOS-UHFFFAOYSA-N 2 0 334.504 3.326 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CSC[C@@H]3C)CC2)c1 ZINC000449071267 310034793 /nfs/dbraw/zinc/03/47/93/310034793.db2.gz GYUZCLDOWDRBDE-ICSRJNTNSA-N 2 0 347.572 3.238 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)O[C@@H]3C)CC2)c1 ZINC000449072698 310034855 /nfs/dbraw/zinc/03/48/55/310034855.db2.gz KWCMHXKQZBTNER-QKNQBKEWSA-N 2 0 345.531 3.053 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccncc3F)CC2)cc1 ZINC000449109054 310037735 /nfs/dbraw/zinc/03/77/35/310037735.db2.gz XESWNPGVZVJCJJ-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449133630 310039422 /nfs/dbraw/zinc/03/94/22/310039422.db2.gz ZCCPZSSSPJJFAG-UHFFFAOYSA-N 2 0 329.513 3.360 20 0 EGADRP C[C@@H]1CSC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000449199313 310044029 /nfs/dbraw/zinc/04/40/29/310044029.db2.gz BUZWIOWZSRSDDG-APWZRJJASA-N 2 0 334.529 3.045 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449219593 310045511 /nfs/dbraw/zinc/04/55/11/310045511.db2.gz NWGWEODHCOQTIG-UYAOXDASSA-N 2 0 349.950 3.278 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449292235 310050778 /nfs/dbraw/zinc/05/07/78/310050778.db2.gz PMKROOUFGLMKHN-XKGZKEIXSA-N 2 0 344.499 3.013 20 0 EGADRP C[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449515179 310068655 /nfs/dbraw/zinc/06/86/55/310068655.db2.gz ZPQBMAUJPJXAAT-HAFPXEGZSA-N 2 0 342.527 3.284 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000450353770 310117344 /nfs/dbraw/zinc/11/73/44/310117344.db2.gz GUMGQFCTUQTCHL-SFHVURJKSA-N 2 0 339.483 3.346 20 0 EGADRP COc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000450603077 310132567 /nfs/dbraw/zinc/13/25/67/310132567.db2.gz SJDGHWPHYTYBFT-YXJHDRRASA-N 2 0 338.879 3.032 20 0 EGADRP C(=C\C[N@@H+]1CCSC[C@@H]1C1CC1)\C[NH+]1CCSC[C@@H]1C1CC1 ZINC000451646435 310191193 /nfs/dbraw/zinc/19/11/93/310191193.db2.gz FLPIVRVIZYQCGN-FKAFAWJWSA-N 2 0 338.586 3.197 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453107017 310258430 /nfs/dbraw/zinc/25/84/30/310258430.db2.gz HVUARXHATQKTCZ-BEFAXECRSA-N 2 0 335.923 3.407 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453132147 310260016 /nfs/dbraw/zinc/26/00/16/310260016.db2.gz XNUCPRXCFOLMPP-NCYKPQTJSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000453256706 310267214 /nfs/dbraw/zinc/26/72/14/310267214.db2.gz QZBHMJVTKGHNIC-UYAOXDASSA-N 2 0 338.499 3.300 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453350136 310272438 /nfs/dbraw/zinc/27/24/38/310272438.db2.gz PDNAZRZBVDUBIR-XUVXKRRUSA-N 2 0 328.500 3.182 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CCC1 ZINC000453369112 310273292 /nfs/dbraw/zinc/27/32/92/310273292.db2.gz FFYKWRMMCDTJNN-MXEMCNAFSA-N 2 0 328.500 3.180 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000453397479 310274911 /nfs/dbraw/zinc/27/49/11/310274911.db2.gz ZQUFVOIAQQJGES-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455857583 310379794 /nfs/dbraw/zinc/37/97/94/310379794.db2.gz OTQBTWALCWWMGU-LJQANCHMSA-N 2 0 344.503 3.185 20 0 EGADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000455901727 310381728 /nfs/dbraw/zinc/38/17/28/310381728.db2.gz GDLKGMQAMANSIB-KSSFIOAISA-N 2 0 346.519 3.333 20 0 EGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455912345 310382068 /nfs/dbraw/zinc/38/20/68/310382068.db2.gz JEWIJWGOOBZKMB-MOPGFXCFSA-N 2 0 344.503 3.039 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000456266442 310395634 /nfs/dbraw/zinc/39/56/34/310395634.db2.gz IFXXDMSMRZPINA-QCUYGVNKSA-N 2 0 329.488 3.435 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)CN1CC[NH+](C)CC1 ZINC000462786073 310605823 /nfs/dbraw/zinc/60/58/23/310605823.db2.gz UMCLCBCVLBWTGU-SFHVURJKSA-N 2 0 329.532 3.317 20 0 EGADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000463026218 310608438 /nfs/dbraw/zinc/60/84/38/310608438.db2.gz VTKGTEFVNRRWNI-OALUTQOASA-N 2 0 334.504 3.309 20 0 EGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000474709921 310798084 /nfs/dbraw/zinc/79/80/84/310798084.db2.gz FTNKUAUWCLEZMP-FPOVZHCZSA-N 2 0 346.515 3.456 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000474719600 310798213 /nfs/dbraw/zinc/79/82/13/310798213.db2.gz MPCVCJJLIXYFHL-WUJZJPHMSA-N 2 0 326.525 3.454 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]C[C@@H](C(C)C)N3CC[NH+](C)CC3)cc2c(C)c1 ZINC000479557263 310877758 /nfs/dbraw/zinc/87/77/58/310877758.db2.gz KQEAUUDPTZPLDY-NRFANRHFSA-N 2 0 342.531 3.146 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)c1ccccc1C[NH+](C)C ZINC000487748058 311036368 /nfs/dbraw/zinc/03/63/68/311036368.db2.gz HRRXLZJOGBDLOV-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000489886978 311123733 /nfs/dbraw/zinc/12/37/33/311123733.db2.gz MWIVIDWNGRALNG-UHFFFAOYSA-N 2 0 340.458 3.330 20 0 EGADRP Cc1ccccc1-c1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000491227865 311169352 /nfs/dbraw/zinc/16/93/52/311169352.db2.gz JQYFMGDSGKQSIV-NRFANRHFSA-N 2 0 335.495 3.142 20 0 EGADRP Fc1ccc(-c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000491247138 311170247 /nfs/dbraw/zinc/17/02/47/311170247.db2.gz APJIAHVGPBGEIJ-QGZVFWFLSA-N 2 0 345.487 3.034 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000492186975 311224863 /nfs/dbraw/zinc/22/48/63/311224863.db2.gz FZAOARYXBYQOSG-LJQANCHMSA-N 2 0 345.487 3.066 20 0 EGADRP C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000492353043 311241098 /nfs/dbraw/zinc/24/10/98/311241098.db2.gz QLABYVNVVYVSQU-SBHAEUEKSA-N 2 0 329.532 3.219 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000492695895 311281248 /nfs/dbraw/zinc/28/12/48/311281248.db2.gz KHWCPKOEYQDLME-IRXDYDNUSA-N 2 0 337.508 3.064 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495815196 311615543 /nfs/dbraw/zinc/61/55/43/311615543.db2.gz XMMMDPLAWLEZPY-HNNXBMFYSA-N 2 0 347.503 3.093 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000496884297 311779857 /nfs/dbraw/zinc/77/98/57/311779857.db2.gz NKXPNPNULPEUCW-YJBOKZPZSA-N 2 0 333.476 3.308 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506042371 312041093 /nfs/dbraw/zinc/04/10/93/312041093.db2.gz SAGMNAOWVFOXBV-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507503579 312075008 /nfs/dbraw/zinc/07/50/08/312075008.db2.gz AOQQISKNDLMORR-ZHHKINOHSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721536 312100548 /nfs/dbraw/zinc/10/05/48/312100548.db2.gz VHRHHDOEBOPNBT-SBHAEUEKSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510686783 312146184 /nfs/dbraw/zinc/14/61/84/312146184.db2.gz VKNDJKDNWMKLLD-OAHLLOKOSA-N 2 0 340.458 3.111 20 0 EGADRP COC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512294619 312182175 /nfs/dbraw/zinc/18/21/75/312182175.db2.gz JPVOTLHVLXSXKQ-SLFFLAALSA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512428621 312185108 /nfs/dbraw/zinc/18/51/08/312185108.db2.gz WVWFQUIIZOVUHA-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000512610535 312189999 /nfs/dbraw/zinc/18/99/99/312189999.db2.gz BYQNKVYYFAFFQG-DOIPELPJSA-N 2 0 328.500 3.303 20 0 EGADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648717 312190955 /nfs/dbraw/zinc/19/09/55/312190955.db2.gz OTPMQOVUVNERCF-CIAFKFPVSA-N 2 0 341.543 3.361 20 0 EGADRP CCn1nccc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513513239 312212089 /nfs/dbraw/zinc/21/20/89/312212089.db2.gz SBVYNFZZVMHZLY-IEBWSBKVSA-N 2 0 326.488 3.293 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c1ccsc1 ZINC000516056727 312306625 /nfs/dbraw/zinc/30/66/25/312306625.db2.gz ZHZBHJQDYCFJKV-CVEARBPZSA-N 2 0 339.549 3.271 20 0 EGADRP C[C@H]1C[NH+](CCCC[N@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000516179443 312312808 /nfs/dbraw/zinc/31/28/08/312312808.db2.gz RPVTZMHKZMCNEN-ROUUACIJSA-N 2 0 336.520 3.053 20 0 EGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000516181401 312313141 /nfs/dbraw/zinc/31/31/41/312313141.db2.gz DXKBKQYBLJXUCR-GJZGRUSLSA-N 2 0 341.455 3.163 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000516957886 312354307 /nfs/dbraw/zinc/35/43/07/312354307.db2.gz ABZZTHIREUELPL-MJGOQNOKSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(-c2ccnn2C)c1 ZINC000517248439 312372143 /nfs/dbraw/zinc/37/21/43/312372143.db2.gz NFVHMNXBUMVCAS-KRWDZBQOSA-N 2 0 326.488 3.215 20 0 EGADRP COCCC1CC[NH+]([C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000527934894 312977086 /nfs/dbraw/zinc/97/70/86/312977086.db2.gz LWOVLGHMFUGFIT-KRWDZBQOSA-N 2 0 334.504 3.437 20 0 EGADRP c1cc2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2[nH]1 ZINC000529532752 313345915 /nfs/dbraw/zinc/34/59/15/313345915.db2.gz XSHHFNWKPQRAQY-UHFFFAOYSA-N 2 0 327.472 3.245 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)N1CC[NH+](C)CC1 ZINC000531691240 313702081 /nfs/dbraw/zinc/70/20/81/313702081.db2.gz NKFYQCIUBNFITF-RTBURBONSA-N 2 0 335.923 3.189 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531704336 313703486 /nfs/dbraw/zinc/70/34/86/313703486.db2.gz BMCLAWUSVUHJLW-BEFAXECRSA-N 2 0 335.923 3.191 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000532520558 313811047 /nfs/dbraw/zinc/81/10/47/313811047.db2.gz AKGDVMJOZGHKDW-OKZBNKHCSA-N 2 0 325.541 3.124 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000535686423 314060438 /nfs/dbraw/zinc/06/04/38/314060438.db2.gz NDJQSFLRLFAVGD-IBGZPJMESA-N 2 0 335.923 3.335 20 0 EGADRP FC(F)n1c2ccccc2nc1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000537058147 314159244 /nfs/dbraw/zinc/15/92/44/314159244.db2.gz MLIWLNPPEKOWTL-UHFFFAOYSA-N 2 0 348.441 3.438 20 0 EGADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992138 314222603 /nfs/dbraw/zinc/22/26/03/314222603.db2.gz YESFPQDGYHHCIZ-SMDDNHRTSA-N 2 0 329.271 3.445 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000539405297 314312080 /nfs/dbraw/zinc/31/20/80/314312080.db2.gz SSVDIAAQWXKVFE-BVOGOJNSSA-N 2 0 330.516 3.439 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000539405298 314312185 /nfs/dbraw/zinc/31/21/85/314312185.db2.gz SSVDIAAQWXKVFE-CWJKEVGVSA-N 2 0 330.516 3.439 20 0 EGADRP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000540143172 314365655 /nfs/dbraw/zinc/36/56/55/314365655.db2.gz MQHBTDDGRJBKDA-MRXNPFEDSA-N 2 0 343.471 3.190 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000540150467 314365745 /nfs/dbraw/zinc/36/57/45/314365745.db2.gz DUMYNAMKPNADBJ-QQFBHYJXSA-N 2 0 336.442 3.180 20 0 EGADRP CCCc1ccc([C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)C(C)C)cc1 ZINC000540301712 314373249 /nfs/dbraw/zinc/37/32/49/314373249.db2.gz NTQDLOQDRYAERG-PMACEKPBSA-N 2 0 345.531 3.266 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000540464143 314382578 /nfs/dbraw/zinc/38/25/78/314382578.db2.gz PJLFKPCCRFGQGH-JXFKEZNVSA-N 2 0 333.520 3.435 20 0 EGADRP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000541743518 314484324 /nfs/dbraw/zinc/48/43/24/314484324.db2.gz KAMKQWXXZUUCTD-UHFFFAOYSA-N 2 0 336.520 3.493 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CCCC2)o1 ZINC000544571140 314703713 /nfs/dbraw/zinc/70/37/13/314703713.db2.gz ZGBJDJKVXGREDQ-HXUWFJFHSA-N 2 0 333.520 3.435 20 0 EGADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000548634925 315029075 /nfs/dbraw/zinc/02/90/75/315029075.db2.gz JEUFDMPGTJKJOI-UJMXGEILSA-N 2 0 328.500 3.036 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000548884965 315058789 /nfs/dbraw/zinc/05/87/89/315058789.db2.gz ISBSFVWXENZALL-HBMCJLEFSA-N 2 0 327.516 3.102 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CCCC3)C2)C1 ZINC000549754872 315103754 /nfs/dbraw/zinc/10/37/54/315103754.db2.gz SKWQZFHFXCEHGW-BZSNNMDCSA-N 2 0 336.520 3.495 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000550835858 315135819 /nfs/dbraw/zinc/13/58/19/315135819.db2.gz MIOYHMJEHBVHOJ-LNLFQRSKSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000551210928 315145211 /nfs/dbraw/zinc/14/52/11/315145211.db2.gz CSCBRZRVVOAHMJ-AZUAARDMSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000555559131 315390496 /nfs/dbraw/zinc/39/04/96/315390496.db2.gz IBIMULJZFLPTLB-ZWKOTPCHSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000560102072 315660528 /nfs/dbraw/zinc/66/05/28/315660528.db2.gz VLWUJRARJUMDRU-ZFMNYDKASA-N 2 0 329.532 3.389 20 0 EGADRP CC(C)C[C@@H](CNC(=O)c1coc(C[NH3+])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000563074798 315954367 /nfs/dbraw/zinc/95/43/67/315954367.db2.gz PQZHBGWRUDZEQM-YJBOKZPZSA-N 2 0 343.471 3.234 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)cc1 ZINC000563390424 316013670 /nfs/dbraw/zinc/01/36/70/316013670.db2.gz PVQYHZSFECWYOE-OQSMONGASA-N 2 0 340.471 3.419 20 0 EGADRP COc1ccc(-c2cnc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000563670484 316053095 /nfs/dbraw/zinc/05/30/95/316053095.db2.gz RQRREPLVZFQMMV-WMZOPIPTSA-N 2 0 341.455 3.314 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000564240706 316127709 /nfs/dbraw/zinc/12/77/09/316127709.db2.gz KXNHOHCPNZUCLG-SFHVURJKSA-N 2 0 327.472 3.168 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000565658111 316352539 /nfs/dbraw/zinc/35/25/39/316352539.db2.gz IQDZHBWAABMWRP-UXHICEINSA-N 2 0 342.462 3.426 20 0 EGADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000565769262 316367486 /nfs/dbraw/zinc/36/74/86/316367486.db2.gz UQMLACZHHHJPET-VAMGGRTRSA-N 2 0 329.488 3.088 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000567228266 316586726 /nfs/dbraw/zinc/58/67/26/316586726.db2.gz NMVIBEOFZVFVLJ-OAQYLSRUSA-N 2 0 348.531 3.186 20 0 EGADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000570153526 317014991 /nfs/dbraw/zinc/01/49/91/317014991.db2.gz LPRWLHKCPJHSPQ-IPHXSNPTSA-N 2 0 336.483 3.341 20 0 EGADRP [NH3+]CCC1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000570638257 317085618 /nfs/dbraw/zinc/08/56/18/317085618.db2.gz QUIWQVYKMJAOQX-UHFFFAOYSA-N 2 0 343.393 3.095 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000571407887 317196282 /nfs/dbraw/zinc/19/62/82/317196282.db2.gz ILYUVGMSAMUMGI-UHFFFAOYSA-N 2 0 325.456 3.221 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000571536875 317214138 /nfs/dbraw/zinc/21/41/38/317214138.db2.gz ULXBLESPVWHFHZ-FQEVSTJZSA-N 2 0 335.451 3.024 20 0 EGADRP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000571735361 317238752 /nfs/dbraw/zinc/23/87/52/317238752.db2.gz WQFALZVCUMEKBI-OXJNMPFZSA-N 2 0 339.483 3.169 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000572583246 317359523 /nfs/dbraw/zinc/35/95/23/317359523.db2.gz OKKDXUQYIBJMTN-QAQDUYKDSA-N 2 0 326.488 3.250 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNCc2c(F)ccc(Br)c2F)C1 ZINC000230307656 456136321 /nfs/dbraw/zinc/13/63/21/456136321.db2.gz ZVCWWDKGQYYNDU-JTQLQIEISA-N 2 0 333.220 3.159 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000177902036 323347602 /nfs/dbraw/zinc/34/76/02/323347602.db2.gz ZRCAKAMNYGLFRE-CZUORRHYSA-N 2 0 330.394 3.404 20 0 EGADRP O[C@H](CC1CCCC1)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385898998 324264827 /nfs/dbraw/zinc/26/48/27/324264827.db2.gz FSDCTNPMLNAVAV-YPAWHYETSA-N 2 0 342.527 3.382 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)Cc3ccccc3)CC2)CC1 ZINC000576458933 324618729 /nfs/dbraw/zinc/61/87/29/324618729.db2.gz CLTNLYQOEDIEIA-CBNMVNINSA-N 2 0 330.516 3.223 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000578427241 324967253 /nfs/dbraw/zinc/96/72/53/324967253.db2.gz XHUOKNNQWDPZMJ-DZFIZOCASA-N 2 0 334.504 3.453 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000578894250 325033702 /nfs/dbraw/zinc/03/37/02/325033702.db2.gz CQXSJWKMXKNHCS-QGZVFWFLSA-N 2 0 335.536 3.009 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc4c[nH+]cn4c3)ccc21 ZINC000579805366 325160739 /nfs/dbraw/zinc/16/07/39/325160739.db2.gz QBRNTCSITRVPMP-LJQANCHMSA-N 2 0 349.438 3.205 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000579943951 325179821 /nfs/dbraw/zinc/17/98/21/325179821.db2.gz ZWJCHTUBWKARCU-UHFFFAOYSA-N 2 0 347.478 3.459 20 0 EGADRP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000580095204 325203158 /nfs/dbraw/zinc/20/31/58/325203158.db2.gz LVINDKNCYOWQNN-GDBMZVCRSA-N 2 0 330.501 3.409 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3c(C)cccc3C2)[C@H](C)C1 ZINC000580606420 325272259 /nfs/dbraw/zinc/27/22/59/325272259.db2.gz ZWNPRCOKKSJFTI-HOJAQTOUSA-N 2 0 346.515 3.025 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)CC2)CC1 ZINC000580927623 325309560 /nfs/dbraw/zinc/30/95/60/325309560.db2.gz UWEHHDAASVBELK-SFTDATJTSA-N 2 0 349.563 3.017 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000581247979 325346005 /nfs/dbraw/zinc/34/60/05/325346005.db2.gz HVEQAWWUPGWWGE-DOTOQJQBSA-N 2 0 333.520 3.256 20 0 EGADRP Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000581357592 325354730 /nfs/dbraw/zinc/35/47/30/325354730.db2.gz MVZIOPZCSONZCV-SJCJKPOMSA-N 2 0 346.475 3.287 20 0 EGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000581546934 325370643 /nfs/dbraw/zinc/37/06/43/325370643.db2.gz OVROSZMUCKOXTG-DODZYUBVSA-N 2 0 348.535 3.177 20 0 EGADRP CC[C@]1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000581827336 325391845 /nfs/dbraw/zinc/39/18/45/325391845.db2.gz NAFLGTNFVGEVBQ-FXAWDEMLSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183148146 455238716 /nfs/dbraw/zinc/23/87/16/455238716.db2.gz IFAXQHDGVUWBHR-BVOGOJNSSA-N 2 0 330.516 3.285 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183184811 455246159 /nfs/dbraw/zinc/24/61/59/455246159.db2.gz YULRGIMLWWNZHB-IHPCNDPISA-N 2 0 330.516 3.487 20 0 EGADRP C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448059 455304108 /nfs/dbraw/zinc/30/41/08/455304108.db2.gz MPABYVBODXGSLL-QUCCMNQESA-N 2 0 347.547 3.189 20 0 EGADRP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000600712684 460574766 /nfs/dbraw/zinc/57/47/66/460574766.db2.gz ZYZVTQIENAHJHZ-RBUKOAKNSA-N 2 0 332.488 3.002 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576338 455334451 /nfs/dbraw/zinc/33/44/51/455334451.db2.gz BCMOFEIBCFUWJV-TZIWHRDSSA-N 2 0 346.515 3.408 20 0 EGADRP CC1CC[NH+](C[C@H](O)CN[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158955163 455340922 /nfs/dbraw/zinc/34/09/22/455340922.db2.gz OICXFCFZTCNCGJ-MJGOQNOKSA-N 2 0 344.499 3.115 20 0 EGADRP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623516695 460591482 /nfs/dbraw/zinc/59/14/82/460591482.db2.gz AXGMPFOTKXFJQD-GOSISDBHSA-N 2 0 345.531 3.122 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC000053404566 453876974 /nfs/dbraw/zinc/87/69/74/453876974.db2.gz IMSMXTHBSYJHQA-INIZCTEOSA-N 2 0 349.519 3.362 20 0 EGADRP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000036301326 453928196 /nfs/dbraw/zinc/92/81/96/453928196.db2.gz ZDRHKHVVLVFVLD-UHFFFAOYSA-N 2 0 330.259 3.006 20 0 EGADRP c1ccc(CN2CC[NH+](CCCC[NH2+]C3CCSCC3)CC2)cc1 ZINC000075810098 453928149 /nfs/dbraw/zinc/92/81/49/453928149.db2.gz VZPCNOMBCQPMIZ-UHFFFAOYSA-N 2 0 347.572 3.070 20 0 EGADRP c1ccc(CCOCCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075836555 453930003 /nfs/dbraw/zinc/93/00/03/453930003.db2.gz ZHLPGGWQOLAVTK-OAQYLSRUSA-N 2 0 330.516 3.444 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC000075840701 453930706 /nfs/dbraw/zinc/93/07/06/453930706.db2.gz DIDQTPFYARFVFJ-QGZVFWFLSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H]1CSCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000190845068 455391077 /nfs/dbraw/zinc/39/10/77/455391077.db2.gz YRETWCXXUQXTOM-KRWDZBQOSA-N 2 0 347.572 3.402 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000068084749 453995511 /nfs/dbraw/zinc/99/55/11/453995511.db2.gz WCNLMKNUHQDCSX-KRWDZBQOSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(F)c(F)c(F)c2)C[C@@H](C)O1 ZINC000076398175 453997036 /nfs/dbraw/zinc/99/70/36/453997036.db2.gz STHXSCPCCCHUAP-CHWSQXEVSA-N 2 0 330.394 3.083 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522512 454064285 /nfs/dbraw/zinc/06/42/85/454064285.db2.gz MKNKTYQXLYGLQS-QGZVFWFLSA-N 2 0 331.504 3.294 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000056525164 454065327 /nfs/dbraw/zinc/06/53/27/454065327.db2.gz ZDLHPFYSAHOEKF-UHFFFAOYSA-N 2 0 338.879 3.275 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069172927 454084444 /nfs/dbraw/zinc/08/44/44/454084444.db2.gz WIRLQXBGFFKEHG-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP CCC[C@@H](CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245917910 455399164 /nfs/dbraw/zinc/39/91/64/455399164.db2.gz QHSBRJHHBPVBGT-RTBURBONSA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000044518734 454104730 /nfs/dbraw/zinc/10/47/30/454104730.db2.gz RMPMJJUGPNCCAM-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)c1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000057157261 454108010 /nfs/dbraw/zinc/10/80/10/454108010.db2.gz YEIGDTCSFABGKI-UHFFFAOYSA-N 2 0 333.520 3.156 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000057169959 454108835 /nfs/dbraw/zinc/10/88/35/454108835.db2.gz ONZDTKXXRZUWLC-HXUWFJFHSA-N 2 0 337.467 3.351 20 0 EGADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000265981727 455420040 /nfs/dbraw/zinc/42/00/40/455420040.db2.gz BRJCWCHCILXMLG-LSDHHAIUSA-N 2 0 340.414 3.003 20 0 EGADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130482000 454200417 /nfs/dbraw/zinc/20/04/17/454200417.db2.gz GLFJRZAONJBAKK-RBUKOAKNSA-N 2 0 330.520 3.138 20 0 EGADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2NC[C@H](O)C[NH+](C)C ZINC000131490173 454258452 /nfs/dbraw/zinc/25/84/52/454258452.db2.gz KGRMTMNUUKUCTG-WMZOPIPTSA-N 2 0 334.504 3.018 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1N(C)C ZINC000090522887 454316434 /nfs/dbraw/zinc/31/64/34/454316434.db2.gz QIJJKSVPXKLLCC-HBGVWJBISA-N 2 0 345.531 3.171 20 0 EGADRP Cc1cnccc1CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090847059 454344816 /nfs/dbraw/zinc/34/48/16/454344816.db2.gz LLXQBQPATMSFMJ-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078965862 454346318 /nfs/dbraw/zinc/34/63/18/454346318.db2.gz NQLCVGCKIMWVNJ-MRXNPFEDSA-N 2 0 339.524 3.240 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1F ZINC000090937427 454352868 /nfs/dbraw/zinc/35/28/68/454352868.db2.gz MNAQPJIUAJQXJM-AWEZNQCLSA-N 2 0 347.434 3.021 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2SC)C1 ZINC000072860908 454353631 /nfs/dbraw/zinc/35/36/31/454353631.db2.gz UGKQIQFZXMDJRC-HNNXBMFYSA-N 2 0 335.517 3.011 20 0 EGADRP COc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000090964889 454355531 /nfs/dbraw/zinc/35/55/31/454355531.db2.gz NOSAFOQNKVSAFR-SFHVURJKSA-N 2 0 344.499 3.385 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121085006 454388644 /nfs/dbraw/zinc/38/86/44/454388644.db2.gz SMJKHLFXASLTFU-MRXNPFEDSA-N 2 0 338.923 3.481 20 0 EGADRP C[N@@H+](Cc1ccc(F)cc1Br)CC1CC[NH+](C)CC1 ZINC000063121436 454394569 /nfs/dbraw/zinc/39/45/69/454394569.db2.gz KTUQRXQPQFGUMS-UHFFFAOYSA-N 2 0 329.257 3.362 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)N2CCC(C)CC2)c1 ZINC000079307410 454395793 /nfs/dbraw/zinc/39/57/93/454395793.db2.gz FTUPHKIMLSTQIK-GOSISDBHSA-N 2 0 345.531 3.265 20 0 EGADRP CCC[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC[NH2+]CC1 ZINC000097095611 454405593 /nfs/dbraw/zinc/40/55/93/454405593.db2.gz AGRAWFTYSVPCMB-FQEVSTJZSA-N 2 0 332.488 3.208 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H](c3ccccc3)C3CC3)ccn2)CC1 ZINC000091286944 454423222 /nfs/dbraw/zinc/42/32/22/454423222.db2.gz GKZBIALUZLIRGH-OAQYLSRUSA-N 2 0 336.483 3.074 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000121408270 454432323 /nfs/dbraw/zinc/43/23/23/454432323.db2.gz GKYOQVFEWBYTCQ-DENIHFKCSA-N 2 0 343.559 3.179 20 0 EGADRP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000097376335 454434754 /nfs/dbraw/zinc/43/47/54/454434754.db2.gz MEZWMNWDJYIFIK-HNAYVOBHSA-N 2 0 344.528 3.382 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000063760699 454446273 /nfs/dbraw/zinc/44/62/73/454446273.db2.gz NLFSOFPGJUDRTA-ROUUACIJSA-N 2 0 345.531 3.123 20 0 EGADRP CCOc1cc(CCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OC ZINC000133906067 454480973 /nfs/dbraw/zinc/48/09/73/454480973.db2.gz JEQCJUONHGWZOG-JZXOWHBKSA-N 2 0 334.504 3.345 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101950930 454489477 /nfs/dbraw/zinc/48/94/77/454489477.db2.gz ZHEDRQANLHMOHR-YRPNKDGESA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000080145493 454540709 /nfs/dbraw/zinc/54/07/09/454540709.db2.gz WJIUFSJLYNAIMT-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253683 454542484 /nfs/dbraw/zinc/54/24/84/454542484.db2.gz MYTUNUUYVTZBHQ-QUCCMNQESA-N 2 0 332.488 3.018 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CCC[NH2+]1 ZINC000134563452 454561050 /nfs/dbraw/zinc/56/10/50/454561050.db2.gz YBISNPJBDVPWMG-HXUWFJFHSA-N 2 0 329.488 3.389 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1)C(C)C ZINC000104413677 454585145 /nfs/dbraw/zinc/58/51/45/454585145.db2.gz KABIFLKGTJLFTJ-HXUWFJFHSA-N 2 0 345.531 3.473 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123170975 454609920 /nfs/dbraw/zinc/60/99/20/454609920.db2.gz WVHNFORIRHSYEJ-LEWJYISDSA-N 2 0 343.559 3.432 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000092746319 454623712 /nfs/dbraw/zinc/62/37/12/454623712.db2.gz LMYTVEPBPCXPOM-ZDUSSCGKSA-N 2 0 325.522 3.023 20 0 EGADRP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000634999504 460645158 /nfs/dbraw/zinc/64/51/58/460645158.db2.gz VOUYGSRQFXTAES-WCQYABFASA-N 2 0 338.377 3.122 20 0 EGADRP Cc1ccc(-c2ccc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)o2)cc1 ZINC000105476503 454641258 /nfs/dbraw/zinc/64/12/58/454641258.db2.gz JXKUXQONFLKXLT-UHFFFAOYSA-N 2 0 341.499 3.372 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccccc1 ZINC000123967650 454691645 /nfs/dbraw/zinc/69/16/45/454691645.db2.gz PCZYXVUPCTVPBR-QFBILLFUSA-N 2 0 343.515 3.106 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000106434915 454695179 /nfs/dbraw/zinc/69/51/79/454695179.db2.gz RNLAGHOZPAKXJQ-GOSISDBHSA-N 2 0 349.544 3.069 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000161711512 454716862 /nfs/dbraw/zinc/71/68/62/454716862.db2.gz JIDWTSPNAIECNM-QUCCMNQESA-N 2 0 348.531 3.273 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124365894 454723572 /nfs/dbraw/zinc/72/35/72/454723572.db2.gz GANVJFPSUKSDEO-HXUWFJFHSA-N 2 0 345.531 3.072 20 0 EGADRP c1ccc([C@@H]2C[C@@H]2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735046 454731919 /nfs/dbraw/zinc/73/19/19/454731919.db2.gz DPDSVRVNRBKIPA-CTNGQTDRSA-N 2 0 328.500 3.367 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000635009771 460651667 /nfs/dbraw/zinc/65/16/67/460651667.db2.gz ZJSUUSCBISRKLD-DZKIICNBSA-N 2 0 330.476 3.139 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000137302209 454775775 /nfs/dbraw/zinc/77/57/75/454775775.db2.gz CHGHWGUQCCNQTF-UHFFFAOYSA-N 2 0 347.503 3.220 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]Cc3ccncc3)CC2)cc1 ZINC000176984755 454807857 /nfs/dbraw/zinc/80/78/57/454807857.db2.gz IFYYEHGSKCWVIZ-UHFFFAOYSA-N 2 0 339.483 3.243 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC000153709414 454824266 /nfs/dbraw/zinc/82/42/66/454824266.db2.gz ZETGZOCGVPFBNU-NRFANRHFSA-N 2 0 341.543 3.300 20 0 EGADRP Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000125590653 454833805 /nfs/dbraw/zinc/83/38/05/454833805.db2.gz KOFHCHJZDNHZBS-INIZCTEOSA-N 2 0 343.446 3.231 20 0 EGADRP COc1ccc(Oc2cc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccn2)cc1 ZINC000163438009 454847083 /nfs/dbraw/zinc/84/70/83/454847083.db2.gz NWZVRDKGWBTVMW-DOTOQJQBSA-N 2 0 341.455 3.455 20 0 EGADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)cc1 ZINC000635013390 460655995 /nfs/dbraw/zinc/65/59/95/460655995.db2.gz RTKXEHMRSQHFLA-YLJYHZDGSA-N 2 0 338.499 3.082 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163530749 454853196 /nfs/dbraw/zinc/85/31/96/454853196.db2.gz YDBASNLVSZTORK-KRWDZBQOSA-N 2 0 345.531 3.272 20 0 EGADRP C[C@H]([NH2+]CCCNc1ccccn1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000163797438 454864735 /nfs/dbraw/zinc/86/47/35/454864735.db2.gz AOECVUVEPIHPKO-AWEZNQCLSA-N 2 0 338.455 3.464 20 0 EGADRP Cc1noc(C)c1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177493841 454870515 /nfs/dbraw/zinc/87/05/15/454870515.db2.gz LKERFJXYZJXUCE-GJZGRUSLSA-N 2 0 335.492 3.003 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019147 454872254 /nfs/dbraw/zinc/87/22/54/454872254.db2.gz XGCOPWXVXSUVBV-LQWHRVPQSA-N 3 0 329.532 3.491 20 0 EGADRP Cc1cccc(COc2ccc([C@@H](C)NC[C@H](O)C[NH+](C)C)cc2)c1 ZINC000154390032 454891736 /nfs/dbraw/zinc/89/17/36/454891736.db2.gz BCSCHMYVIMAMLM-XLIONFOSSA-N 2 0 342.483 3.147 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150804039 454895165 /nfs/dbraw/zinc/89/51/65/454895165.db2.gz UEFPMAUOLPRERU-MRXNPFEDSA-N 2 0 347.528 3.155 20 0 EGADRP Cc1c([C@H](C)NC[C@@H](C)C[NH+]2CCCC2)nnn1-c1ccc(F)cc1 ZINC000165309617 454897896 /nfs/dbraw/zinc/89/78/96/454897896.db2.gz RIPLJFWZMYRCKA-CABCVRRESA-N 2 0 345.466 3.097 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165367284 454900242 /nfs/dbraw/zinc/90/02/42/454900242.db2.gz PTIFBHUMJVOSKT-JXXFODFXSA-N 2 0 333.495 3.108 20 0 EGADRP CCN(CC)C(=O)[C@@H](c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150839994 454900296 /nfs/dbraw/zinc/90/02/96/454900296.db2.gz CXMZQOFRILDFRW-UYAOXDASSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165882566 454905836 /nfs/dbraw/zinc/90/58/36/454905836.db2.gz IUVWHUSHAKDTRN-UHFFFAOYSA-N 2 0 345.531 3.455 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000112918452 454906034 /nfs/dbraw/zinc/90/60/34/454906034.db2.gz UGOLHZQKRRUSMT-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000166042787 454907431 /nfs/dbraw/zinc/90/74/31/454907431.db2.gz LNNQSPKPPCIAJX-UKRRQHHQSA-N 2 0 328.884 3.356 20 0 EGADRP CCOc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000126662990 454909551 /nfs/dbraw/zinc/90/95/51/454909551.db2.gz LOAGMYSCWDMVTE-HUUCEWRRSA-N 2 0 340.414 3.403 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177869798 454914309 /nfs/dbraw/zinc/91/43/09/454914309.db2.gz JYWAEDULMQJBFD-APWZRJJASA-N 2 0 326.488 3.186 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000167387448 454920578 /nfs/dbraw/zinc/92/05/78/454920578.db2.gz IBMASWFSBSPHSV-VAMGGRTRSA-N 2 0 349.563 3.399 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150993631 454923430 /nfs/dbraw/zinc/92/34/30/454923430.db2.gz YCOZFUDBJNIOIO-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP CC[C@H](Cc1ccccc1)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191511051 455492452 /nfs/dbraw/zinc/49/24/52/455492452.db2.gz WXNZURYECAEUMJ-OAQYLSRUSA-N 2 0 331.548 3.356 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000178698979 454968314 /nfs/dbraw/zinc/96/83/14/454968314.db2.gz SZSUAMHBNUIQAF-YLJYHZDGSA-N 3 0 326.488 3.082 20 0 EGADRP Clc1ccc(O[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1Cl ZINC000178976589 454994774 /nfs/dbraw/zinc/99/47/74/454994774.db2.gz IEOMMIKKJSOUBO-CQSZACIVSA-N 2 0 329.271 3.446 20 0 EGADRP CC[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCC1 ZINC000151673269 455015535 /nfs/dbraw/zinc/01/55/35/455015535.db2.gz VSUYPOUTOIEHEE-IEBWSBKVSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000155626101 455023685 /nfs/dbraw/zinc/02/36/85/455023685.db2.gz VBNROGAPZVEJAD-HUUCEWRRSA-N 2 0 339.524 3.224 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000155709003 455034473 /nfs/dbraw/zinc/03/44/73/455034473.db2.gz AZINIFQVKAVPAK-PZJWPPBQSA-N 2 0 331.548 3.259 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013928 460657782 /nfs/dbraw/zinc/65/77/82/460657782.db2.gz JYZHUDIBBIRXLB-GDAAHCPNSA-N 2 0 336.907 3.316 20 0 EGADRP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151856131 455040208 /nfs/dbraw/zinc/04/02/08/455040208.db2.gz YZAGSEKHAGRYGB-MSOLQXFVSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000179483040 455051109 /nfs/dbraw/zinc/05/11/09/455051109.db2.gz RRNMHOLVOPVTBH-WWGRRREGSA-N 2 0 348.397 3.071 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000128484126 455060614 /nfs/dbraw/zinc/06/06/14/455060614.db2.gz ALSAMGSZCPNMGE-WOJBJXKFSA-N 2 0 333.495 3.079 20 0 EGADRP CCCN(Cc1ccc(C)cc1)C(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152358612 455107030 /nfs/dbraw/zinc/10/70/30/455107030.db2.gz UEXTZYLHZLCAMV-FQEVSTJZSA-N 2 0 345.531 3.007 20 0 EGADRP C[N@@H+]1CCCC[C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623656874 460662837 /nfs/dbraw/zinc/66/28/37/460662837.db2.gz DNJXSSLOYMTIMG-LJQANCHMSA-N 2 0 347.522 3.154 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156441671 455118452 /nfs/dbraw/zinc/11/84/52/455118452.db2.gz XNWJQYQBKCFOPE-IAGOWNOFSA-N 2 0 339.524 3.096 20 0 EGADRP COC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152445183 455120356 /nfs/dbraw/zinc/12/03/56/455120356.db2.gz SBOODPNSBMOFJF-DYVFJYSZSA-N 2 0 342.405 3.467 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000152456545 455122045 /nfs/dbraw/zinc/12/20/45/455122045.db2.gz BKJOKYJQMRKAMN-ZDUSSCGKSA-N 2 0 341.858 3.081 20 0 EGADRP CCC[N@H+](CC)CCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000156794042 455150692 /nfs/dbraw/zinc/15/06/92/455150692.db2.gz RQPUPLJWDJBAIB-UHFFFAOYSA-N 2 0 335.511 3.154 20 0 EGADRP CCCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156924500 455157199 /nfs/dbraw/zinc/15/71/99/455157199.db2.gz CPTCKJCUPFOURV-LPHOPBHVSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156934912 455157827 /nfs/dbraw/zinc/15/78/27/455157827.db2.gz ANPHIEXHDIWNLR-UXPWSPDFSA-N 2 0 343.515 3.052 20 0 EGADRP CN(C(=O)CCCCCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237269086 455167110 /nfs/dbraw/zinc/16/71/10/455167110.db2.gz IXKXUJLEKMXQGH-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182819703 455171401 /nfs/dbraw/zinc/17/14/01/455171401.db2.gz YMBIELGZOCBPMS-LPHOPBHVSA-N 2 0 343.515 3.131 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182824392 455172216 /nfs/dbraw/zinc/17/22/16/455172216.db2.gz JHIPWMIDWXGBIA-OXQOHEQNSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000237348936 455176165 /nfs/dbraw/zinc/17/61/65/455176165.db2.gz HQIAJQJHHCOOCK-DYESRHJHSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)OCC[NH+]1CCC(NCc2ccc(Cl)cc2F)CC1 ZINC000189371032 455185773 /nfs/dbraw/zinc/18/57/73/455185773.db2.gz XJPCLYLUYJFXFK-UHFFFAOYSA-N 2 0 328.859 3.458 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCCCC[NH3+])C1 ZINC000237503677 455190297 /nfs/dbraw/zinc/19/02/97/455190297.db2.gz PQSXKQHJVBEGDB-SFHVURJKSA-N 2 0 345.531 3.444 20 0 EGADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182993730 455205593 /nfs/dbraw/zinc/20/55/93/455205593.db2.gz CWUKCCJIDPCBJN-MGPUTAFESA-N 2 0 332.463 3.294 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000237708810 455209920 /nfs/dbraw/zinc/20/99/20/455209920.db2.gz NSIGFCGJVXGQNV-IRXDYDNUSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000237743137 455213709 /nfs/dbraw/zinc/21/37/09/455213709.db2.gz SVDOEJLVXMIFKS-LPHOPBHVSA-N 2 0 341.499 3.247 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1F ZINC000180641620 455216187 /nfs/dbraw/zinc/21/61/87/455216187.db2.gz YIRFWSTWFKVHPS-KDOFPFPSSA-N 2 0 346.421 3.382 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158440766 455303760 /nfs/dbraw/zinc/30/37/60/455303760.db2.gz OLEDAQCZZNECFC-QGZVFWFLSA-N 2 0 338.499 3.247 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513659 455317884 /nfs/dbraw/zinc/31/78/84/455317884.db2.gz DHIWXUQYFYOQBM-UYAOXDASSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000158950324 455339456 /nfs/dbraw/zinc/33/94/56/455339456.db2.gz RRBNUNPRTSOOKN-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCCCC2 ZINC000181660936 455370146 /nfs/dbraw/zinc/37/01/46/455370146.db2.gz XCHYBNROZNGARB-RBUKOAKNSA-N 2 0 338.536 3.205 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000245868133 455388179 /nfs/dbraw/zinc/38/81/79/455388179.db2.gz KKJMRQZIUZATRW-IKGGRYGDSA-N 2 0 339.524 3.142 20 0 EGADRP CCN(Cc1cccc(OC)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485720 455396289 /nfs/dbraw/zinc/39/62/89/455396289.db2.gz HLSGIYWYHHGOHS-IBGZPJMESA-N 2 0 339.483 3.434 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246182790 455443171 /nfs/dbraw/zinc/44/31/71/455443171.db2.gz KPGLDIBEPQXZCL-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246183674 455443304 /nfs/dbraw/zinc/44/33/04/455443304.db2.gz DECWWMSTUYZVEK-CABCVRRESA-N 2 0 328.378 3.301 20 0 EGADRP c1cnc2c(c1)cccc2OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246314410 455470070 /nfs/dbraw/zinc/47/00/70/455470070.db2.gz DYAXTVJQCYIVNO-ROUUACIJSA-N 2 0 325.456 3.220 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246420320 455487240 /nfs/dbraw/zinc/48/72/40/455487240.db2.gz NDDCKNQXOLCNQU-CWFSZBLJSA-N 2 0 332.488 3.114 20 0 EGADRP CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000247046569 455551041 /nfs/dbraw/zinc/55/10/41/455551041.db2.gz NAUKKYNUEQMMCO-YYAJDYIMSA-N 2 0 331.504 3.033 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192073991 455553289 /nfs/dbraw/zinc/55/32/89/455553289.db2.gz GZELTQJUKYRTCJ-HKUYNNGSSA-N 2 0 348.531 3.449 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000247133125 455563728 /nfs/dbraw/zinc/56/37/28/455563728.db2.gz ZVSVKQJSVXYBQE-DEPCRRQNSA-N 2 0 349.563 3.361 20 0 EGADRP C[C@H]1CN(Cc2cccc(C[NH2+]Cc3cc(O)cc(F)c3)c2)CCO1 ZINC000185490375 455565610 /nfs/dbraw/zinc/56/56/10/455565610.db2.gz QQUMSWVVJWZQET-HNNXBMFYSA-N 2 0 344.430 3.042 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247148598 455565778 /nfs/dbraw/zinc/56/57/78/455565778.db2.gz WUEDDZBMTUUWDE-MOPGFXCFSA-N 3 0 347.547 3.398 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1sccc1C[NH+](C)C ZINC000268091732 455590558 /nfs/dbraw/zinc/59/05/58/455590558.db2.gz IYFBMDHASTUJAG-OAHLLOKOSA-N 2 0 337.533 3.194 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000271317065 455595377 /nfs/dbraw/zinc/59/53/77/455595377.db2.gz CVHYNXGUEROCIH-MSOLQXFVSA-N 2 0 345.531 3.122 20 0 EGADRP Cc1cc(C)cc(NC(=O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185684124 455595574 /nfs/dbraw/zinc/59/55/74/455595574.db2.gz NHKBVAHACAZWSF-MSOLQXFVSA-N 2 0 343.515 3.485 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000247505941 455614149 /nfs/dbraw/zinc/61/41/49/455614149.db2.gz MSNQNVIHSPGMNJ-LMCOJAPRSA-N 2 0 346.540 3.466 20 0 EGADRP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185756279 455615680 /nfs/dbraw/zinc/61/56/80/455615680.db2.gz PDWMBCIASWDMFG-YJBOKZPZSA-N 2 0 330.472 3.216 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000271432570 455634090 /nfs/dbraw/zinc/63/40/90/455634090.db2.gz BECRKMDYTDNTBO-FGTMMUONSA-N 2 0 332.513 3.191 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247887067 455652620 /nfs/dbraw/zinc/65/26/20/455652620.db2.gz DIIHIFWHUXNZAT-GHTZIAJQSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@H]1COCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000192614169 455653849 /nfs/dbraw/zinc/65/38/49/455653849.db2.gz WHOWRHMNFFDIGG-GHTZIAJQSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000247944403 455657721 /nfs/dbraw/zinc/65/77/21/455657721.db2.gz DISSCLQXDYXUCZ-PMPSAXMXSA-N 2 0 346.544 3.014 20 0 EGADRP COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC(F)F ZINC000192638637 455658968 /nfs/dbraw/zinc/65/89/68/455658968.db2.gz HIOCCIIWOKIGDD-AGUYFDCRSA-N 2 0 326.387 3.011 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OC)cc1 ZINC000271497336 455660326 /nfs/dbraw/zinc/66/03/26/455660326.db2.gz LHSOKWCYBHCPSL-ZCNNSNEGSA-N 2 0 332.488 3.114 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000247955733 455660827 /nfs/dbraw/zinc/66/08/27/455660827.db2.gz FNWWXOPLIGAUGL-FZMZJTMJSA-N 2 0 331.291 3.120 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000248034821 455673622 /nfs/dbraw/zinc/67/36/22/455673622.db2.gz RJJRQMKKLLXOKP-OXJNMPFZSA-N 2 0 327.447 3.263 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000268421195 455678430 /nfs/dbraw/zinc/67/84/30/455678430.db2.gz GFRPCPDLILMDKG-QGZVFWFLSA-N 2 0 333.520 3.265 20 0 EGADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000284410998 455681690 /nfs/dbraw/zinc/68/16/90/455681690.db2.gz QFKHFPJGDPKKCM-ROUUACIJSA-N 2 0 333.520 3.152 20 0 EGADRP COc1ccc([C@H]([NH2+]CCCN2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000192785587 455692647 /nfs/dbraw/zinc/69/26/47/455692647.db2.gz SFHJNZMYFIQNBG-OAQYLSRUSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(Cl)c1 ZINC000248183256 455694810 /nfs/dbraw/zinc/69/48/10/455694810.db2.gz WWKNNGSIRKIMGC-ZFWWWQNUSA-N 2 0 328.859 3.367 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000192791634 455694821 /nfs/dbraw/zinc/69/48/21/455694821.db2.gz XIFZZBHMLNFVLW-NRFANRHFSA-N 2 0 349.538 3.399 20 0 EGADRP CC(C)c1nccn1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000635137554 460687051 /nfs/dbraw/zinc/68/70/51/460687051.db2.gz CAIKBFKHIFTKBR-OAHLLOKOSA-N 2 0 346.500 3.021 20 0 EGADRP CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248397623 455713568 /nfs/dbraw/zinc/71/35/68/455713568.db2.gz IFAXQHDGVUWBHR-GFOJFJKKSA-N 2 0 330.516 3.285 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000271695208 455725262 /nfs/dbraw/zinc/72/52/62/455725262.db2.gz LKFDMUICRNHOHK-XUVXKRRUSA-N 2 0 332.463 3.171 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000186376568 455754980 /nfs/dbraw/zinc/75/49/80/455754980.db2.gz JYTGSWILJIJQIT-POAQFYNOSA-N 2 0 334.504 3.481 20 0 EGADRP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268992474 455756450 /nfs/dbraw/zinc/75/64/50/455756450.db2.gz MTHXOBYGZPUNSO-GOSISDBHSA-N 2 0 338.923 3.344 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000271802269 455766714 /nfs/dbraw/zinc/76/67/14/455766714.db2.gz XUGSYHMBXUWVDD-UYAOXDASSA-N 2 0 346.515 3.215 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000269030342 455768757 /nfs/dbraw/zinc/76/87/57/455768757.db2.gz RLXXZFSBMQWZSQ-UWJYYQICSA-N 2 0 327.516 3.113 20 0 EGADRP Cc1cccc(NC[C@@H]2CCN([C@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000249803877 455776286 /nfs/dbraw/zinc/77/62/86/455776286.db2.gz AXJQOQOZABBCFT-CABCVRRESA-N 2 0 329.448 3.391 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249867889 455780048 /nfs/dbraw/zinc/78/00/48/455780048.db2.gz IPPHRCPTLLYIDI-KZNAEPCWSA-N 2 0 343.515 3.029 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000269089230 455786610 /nfs/dbraw/zinc/78/66/10/455786610.db2.gz QDBIGUANPXJALA-CJNGLKHVSA-N 2 0 330.419 3.295 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000186568431 455795833 /nfs/dbraw/zinc/79/58/33/455795833.db2.gz JCDQSFBNUSIUDK-LSDHHAIUSA-N 2 0 339.524 3.224 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616992320 460690937 /nfs/dbraw/zinc/69/09/37/460690937.db2.gz ROZJKGLOKSTZCE-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)oc21 ZINC000186580412 455798527 /nfs/dbraw/zinc/79/85/27/455798527.db2.gz NRTDTSYPEPBAAO-HOTGVXAUSA-N 2 0 345.487 3.118 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000186600445 455802764 /nfs/dbraw/zinc/80/27/64/455802764.db2.gz RTFANXRQXXWBLH-QZTJIDSGSA-N 2 0 329.532 3.242 20 0 EGADRP C[NH+](C)CCCCCCC[NH2+]Cc1cncc(Br)c1 ZINC000186607033 455803941 /nfs/dbraw/zinc/80/39/41/455803941.db2.gz PQSXTVWMFLBBSB-UHFFFAOYSA-N 2 0 328.298 3.446 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000269202749 455810763 /nfs/dbraw/zinc/81/07/63/455810763.db2.gz KTVJFNXURQQMKE-LJQANCHMSA-N 2 0 349.478 3.183 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000285250634 455812602 /nfs/dbraw/zinc/81/26/02/455812602.db2.gz ANFKCZVVKAHFRB-INIZCTEOSA-N 2 0 326.488 3.250 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000269248884 455821481 /nfs/dbraw/zinc/82/14/81/455821481.db2.gz NZRSSLGUFMUCBG-ZWKOTPCHSA-N 2 0 329.488 3.171 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000269300303 455830519 /nfs/dbraw/zinc/83/05/19/455830519.db2.gz XJKLHHISMCDCLR-QFBILLFUSA-N 2 0 331.504 3.118 20 0 EGADRP c1[nH]c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)nc1-c1ccccc1 ZINC000194407093 455838063 /nfs/dbraw/zinc/83/80/63/455838063.db2.gz PUEFYBQVEDGHMO-UHFFFAOYSA-N 2 0 347.466 3.478 20 0 EGADRP CCn1cc(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285406555 455838665 /nfs/dbraw/zinc/83/86/65/455838665.db2.gz CUMQFBWLHJHVEK-NRFANRHFSA-N 2 0 338.499 3.044 20 0 EGADRP O[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409132 455839983 /nfs/dbraw/zinc/83/99/83/455839983.db2.gz DABVKKQUFOCKKK-FCHUYYIVSA-N 2 0 336.479 3.318 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000194594448 455862850 /nfs/dbraw/zinc/86/28/50/455862850.db2.gz GYUAGBCXATZLQL-UHFFFAOYSA-N 2 0 343.515 3.017 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000194879039 455894301 /nfs/dbraw/zinc/89/43/01/455894301.db2.gz LTOUKVAIGBNCII-LJQANCHMSA-N 2 0 332.488 3.163 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279961 455900374 /nfs/dbraw/zinc/90/03/74/455900374.db2.gz CWEYKJRBNRDVHR-WJMWBRGCSA-N 2 0 327.516 3.113 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000272324520 455913535 /nfs/dbraw/zinc/91/35/35/455913535.db2.gz UYSYAEIVAQFECK-YSIASYRMSA-N 2 0 345.531 3.134 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000270305557 455924286 /nfs/dbraw/zinc/92/42/86/455924286.db2.gz CSHSPGPERAHWBC-SFHVURJKSA-N 2 0 345.531 3.315 20 0 EGADRP [NH3+]C[C@@H]1CN(Cc2ccn(-c3ccccc3)n2)C[C@H]1c1ccccc1 ZINC000261757433 455942577 /nfs/dbraw/zinc/94/25/77/455942577.db2.gz NSRZDBKVYNWQQM-NQIIRXRSSA-N 2 0 332.451 3.047 20 0 EGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)C1CCOCC1 ZINC000187767314 455950190 /nfs/dbraw/zinc/95/01/90/455950190.db2.gz WPZVVOJEGRUKDL-HXUWFJFHSA-N 2 0 334.504 3.058 20 0 EGADRP COc1nccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000296503376 455957506 /nfs/dbraw/zinc/95/75/06/455957506.db2.gz RDIWZFRLPUNWLL-MRXNPFEDSA-N 2 0 340.471 3.007 20 0 EGADRP Cc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000195440040 455960958 /nfs/dbraw/zinc/96/09/58/455960958.db2.gz OZQBJKIWBKOCRA-UHFFFAOYSA-N 2 0 335.923 3.297 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261982344 455981489 /nfs/dbraw/zinc/98/14/89/455981489.db2.gz RNKFRAZALFXZCO-LBPRGKRZSA-N 2 0 344.286 3.253 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000261991507 455982741 /nfs/dbraw/zinc/98/27/41/455982741.db2.gz MCXBOJXSXLBUIS-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000262007339 455984866 /nfs/dbraw/zinc/98/48/66/455984866.db2.gz RYWZHUGRIRNCLW-IRXDYDNUSA-N 2 0 345.531 3.136 20 0 EGADRP Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)CC2CC[NH2+]CC2)cn1 ZINC000262054195 455991429 /nfs/dbraw/zinc/99/14/29/455991429.db2.gz ZZWXKGCUXDOGQQ-UHFFFAOYSA-N 2 0 332.879 3.075 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N(C)C)c1 ZINC000262155838 456005857 /nfs/dbraw/zinc/00/58/57/456005857.db2.gz GJOSBPZCBWQYKS-BURNTYAHSA-N 2 0 345.531 3.198 20 0 EGADRP Cc1nccn1CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272606635 456011504 /nfs/dbraw/zinc/01/15/04/456011504.db2.gz VJTPKHFJODDXBL-NJDAHSKKSA-N 2 0 338.499 3.082 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000262605113 456045825 /nfs/dbraw/zinc/04/58/25/456045825.db2.gz APVQOQAUSPOLEQ-UXPWSPDFSA-N 2 0 339.483 3.050 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000272717547 456051463 /nfs/dbraw/zinc/05/14/63/456051463.db2.gz DKXMXAWIEUIQTP-PKOBYXMFSA-N 2 0 342.508 3.482 20 0 EGADRP CCC(CC)(CNC(=O)C1([NH3+])CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC000262676372 456051918 /nfs/dbraw/zinc/05/19/18/456051918.db2.gz SAIOYNONYKIVTB-MRXNPFEDSA-N 2 0 331.504 3.284 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000280917157 456081772 /nfs/dbraw/zinc/08/17/72/456081772.db2.gz GYWCWQBWWZMRIQ-ZFWWWQNUSA-N 2 0 330.394 3.243 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@@H]1c1cccs1 ZINC000263116682 456095936 /nfs/dbraw/zinc/09/59/36/456095936.db2.gz AQEILAWQQXDDJM-GFIVTLFCSA-N 2 0 349.544 3.155 20 0 EGADRP Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000301410140 456109207 /nfs/dbraw/zinc/10/92/07/456109207.db2.gz XOZPDDCIZDBYPG-KRWDZBQOSA-N 2 0 325.456 3.092 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000281026042 456113537 /nfs/dbraw/zinc/11/35/37/456113537.db2.gz YAOUTNKHZHICBP-HNNXBMFYSA-N 2 0 347.894 3.131 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263293587 456120361 /nfs/dbraw/zinc/12/03/61/456120361.db2.gz VZYQLOORZUNHIY-UYAOXDASSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC[NH2+]CC1 ZINC000263302359 456122286 /nfs/dbraw/zinc/12/22/86/456122286.db2.gz ZUJWIPPSXQNVOI-GUDVDZBRSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272986038 456135124 /nfs/dbraw/zinc/13/51/24/456135124.db2.gz PMBLWVNEBJWDOC-GJZGRUSLSA-N 2 0 349.544 3.193 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000289852319 456154626 /nfs/dbraw/zinc/15/46/26/456154626.db2.gz BFEPMOPHAWYBOV-IBGZPJMESA-N 2 0 343.446 3.328 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333103637 456160948 /nfs/dbraw/zinc/16/09/48/456160948.db2.gz FDZAGKCZCOTRRS-AZUAARDMSA-N 2 0 328.456 3.460 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000236639459 456162482 /nfs/dbraw/zinc/16/24/82/456162482.db2.gz PJMJQTUGNXWUIT-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)c2cccs2)CC1 ZINC000236661074 456164054 /nfs/dbraw/zinc/16/40/54/456164054.db2.gz HDALNMIPRIZHMY-VQIMIIECSA-N 2 0 349.544 3.170 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236687117 456169512 /nfs/dbraw/zinc/16/95/12/456169512.db2.gz NSJJBKZTUDJQQI-QGZVFWFLSA-N 2 0 345.531 3.300 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1c(Cl)cccc1-n1ccnc1 ZINC000297280131 456170228 /nfs/dbraw/zinc/17/02/28/456170228.db2.gz LHEUBMSPXSENEC-KEYYUXOJSA-N 3 0 332.879 3.344 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CCCC1)c1ccccc1Cl ZINC000236818914 456188770 /nfs/dbraw/zinc/18/87/70/456188770.db2.gz YCJCJSPDKKUQAI-INIZCTEOSA-N 2 0 337.895 3.111 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1OCCc2sccc21 ZINC000297339262 456190850 /nfs/dbraw/zinc/19/08/50/456190850.db2.gz FBGJIJXIKSUXHR-AUUYWEPGSA-N 2 0 343.496 3.404 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000236958984 456209174 /nfs/dbraw/zinc/20/91/74/456209174.db2.gz RKAZHYVDURVIRN-WOJBJXKFSA-N 2 0 339.483 3.058 20 0 EGADRP CCc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301811346 456220644 /nfs/dbraw/zinc/22/06/44/456220644.db2.gz XOFUOWFQCXKFGS-SFHVURJKSA-N 2 0 338.499 3.013 20 0 EGADRP Cc1cc(-c2noc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)ccc1F ZINC000333582713 456236892 /nfs/dbraw/zinc/23/68/92/456236892.db2.gz ODGXHLHMTHPHFL-AWEZNQCLSA-N 2 0 344.434 3.148 20 0 EGADRP Cc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000237204889 456247478 /nfs/dbraw/zinc/24/74/78/456247478.db2.gz RGJZRQGAMFKVRC-HXUWFJFHSA-N 2 0 327.472 3.056 20 0 EGADRP CC[NH+]1CCC(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290177233 456259977 /nfs/dbraw/zinc/25/99/77/456259977.db2.gz NDLUYOPIANNBRI-HXUWFJFHSA-N 2 0 329.532 3.363 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H]1SC ZINC000297596711 456260470 /nfs/dbraw/zinc/26/04/70/456260470.db2.gz JRWWUCZTADVPGO-GUDVDZBRSA-N 2 0 334.529 3.281 20 0 EGADRP COCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(C)o1 ZINC000297619791 456264743 /nfs/dbraw/zinc/26/47/43/456264743.db2.gz LGRZONFMCFGIID-GOSISDBHSA-N 2 0 329.444 3.319 20 0 EGADRP Cc1cc(C[C@@H](C)[NH2+]C2CCN(C3CC3)CC2)n(-c2ccccc2)n1 ZINC000297626257 456266526 /nfs/dbraw/zinc/26/65/26/456266526.db2.gz LSDVTYLCONRFPV-MRXNPFEDSA-N 2 0 338.499 3.328 20 0 EGADRP CC(C)(C)OCc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000297634700 456267602 /nfs/dbraw/zinc/26/76/02/456267602.db2.gz MEHUPTXABWPXTA-UHFFFAOYSA-N 2 0 344.459 3.143 20 0 EGADRP c1cc(N2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)cc[nH+]1 ZINC000297632703 456268121 /nfs/dbraw/zinc/26/81/21/456268121.db2.gz MCZINFWWXSGEST-UHFFFAOYSA-N 3 0 328.504 3.047 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCCC34CCCC4)cn2)CC1 ZINC000340173686 456290799 /nfs/dbraw/zinc/29/07/99/456290799.db2.gz MYYDGHKNDGLRBX-LJQANCHMSA-N 2 0 342.531 3.426 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)[C@@H](C)C1 ZINC000352782332 456301947 /nfs/dbraw/zinc/30/19/47/456301947.db2.gz HFWWVZVMNXYTTA-FCCDEINASA-N 2 0 326.525 3.059 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC(F)F ZINC000290380011 456310419 /nfs/dbraw/zinc/31/04/19/456310419.db2.gz IBIGEALFMVSOPX-GJZGRUSLSA-N 2 0 340.414 3.213 20 0 EGADRP CCN1CC[NH+](C[C@@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000302626233 456366611 /nfs/dbraw/zinc/36/66/11/456366611.db2.gz FMRLIPVKHNGYNH-INIZCTEOSA-N 2 0 326.488 3.229 20 0 EGADRP C[C@@H]1Cc2ccccc2N1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298338009 456429785 /nfs/dbraw/zinc/42/97/85/456429785.db2.gz JCDAKQSJVREDPV-QGZVFWFLSA-N 2 0 336.483 3.091 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000282297205 456469726 /nfs/dbraw/zinc/46/97/26/456469726.db2.gz SLQKZYIXWBTUEF-AZUAARDMSA-N 2 0 334.504 3.312 20 0 EGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000348126234 456502542 /nfs/dbraw/zinc/50/25/42/456502542.db2.gz PMYUTIWNFDMBSQ-YJBOKZPZSA-N 2 0 329.492 3.284 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@]1(C)CCCO1 ZINC000340539254 456519861 /nfs/dbraw/zinc/51/98/61/456519861.db2.gz RXDVEXBOMIYLHZ-UZLBHIALSA-N 2 0 332.488 3.207 20 0 EGADRP CC[NH+]1CCC(Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000276592173 456524230 /nfs/dbraw/zinc/52/42/30/456524230.db2.gz ADDUSYLRQPEASU-UHFFFAOYSA-N 2 0 344.547 3.422 20 0 EGADRP C[C@@H](O)c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000291107452 456530747 /nfs/dbraw/zinc/53/07/47/456530747.db2.gz KCOXTXQZELEWME-CYBMUJFWSA-N 2 0 330.394 3.246 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667920722 462322845 /nfs/dbraw/zinc/32/28/45/462322845.db2.gz KPYLSOPTSDIFIA-HLAWJBBLSA-N 2 0 328.500 3.482 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000310076473 456579740 /nfs/dbraw/zinc/57/97/40/456579740.db2.gz OMENDASZTJWSMH-QGZVFWFLSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000310445242 456582043 /nfs/dbraw/zinc/58/20/43/456582043.db2.gz YOJBZQLWAXBOFP-HXUWFJFHSA-N 2 0 339.483 3.057 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000353245342 456584312 /nfs/dbraw/zinc/58/43/12/456584312.db2.gz UDDYLMGJYREVAW-OXQOHEQNSA-N 2 0 346.515 3.244 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000353270122 456600902 /nfs/dbraw/zinc/60/09/02/456600902.db2.gz AYOOWULKMXENOZ-FQEVSTJZSA-N 2 0 345.531 3.033 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CCC)CC2)cc1 ZINC000343408988 456601412 /nfs/dbraw/zinc/60/14/12/456601412.db2.gz ZODJZLYMILCQNE-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000324620806 456670619 /nfs/dbraw/zinc/67/06/19/456670619.db2.gz RDXJNVSUGYXEBI-GOSISDBHSA-N 2 0 335.536 3.071 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CSCCc3ccccc32)CCCO1 ZINC000348422089 456680493 /nfs/dbraw/zinc/68/04/93/456680493.db2.gz MZLLZQAWCNEWBE-QFBILLFUSA-N 2 0 334.529 3.108 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000327632583 456707716 /nfs/dbraw/zinc/70/77/16/456707716.db2.gz ZMUJDJAPXRAEPM-IFXJQAMLSA-N 2 0 341.455 3.031 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000277216116 456727907 /nfs/dbraw/zinc/72/79/07/456727907.db2.gz NQMHCXDLVMQQTO-MRXNPFEDSA-N 2 0 348.878 3.349 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000353523278 456734830 /nfs/dbraw/zinc/73/48/30/456734830.db2.gz AAJSGIFBBLKOHP-UHFFFAOYSA-N 2 0 346.393 3.128 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000353523560 456735338 /nfs/dbraw/zinc/73/53/38/456735338.db2.gz JZQRZKTZKYGKNO-OXJNMPFZSA-N 2 0 329.488 3.389 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000353526520 456737270 /nfs/dbraw/zinc/73/72/70/456737270.db2.gz JLUTTWUMOMRGEB-UHFFFAOYSA-N 2 0 337.533 3.343 20 0 EGADRP C[C@H](C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C[NH+](C)C ZINC000291775573 456754702 /nfs/dbraw/zinc/75/47/02/456754702.db2.gz UEYOUSLKMLQFAX-CQSZACIVSA-N 2 0 341.902 3.231 20 0 EGADRP CC(C)[C@@H](NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277281002 456757298 /nfs/dbraw/zinc/75/72/98/456757298.db2.gz SJNMVDLHMXXGTH-UYAOXDASSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000283388960 456771469 /nfs/dbraw/zinc/77/14/69/456771469.db2.gz UEIJMTYTETUADH-JOCHJYFZSA-N 2 0 343.559 3.500 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000344284926 456813083 /nfs/dbraw/zinc/81/30/83/456813083.db2.gz DCFDGECNMMXCQD-HNNXBMFYSA-N 2 0 339.252 3.427 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000338434494 456816583 /nfs/dbraw/zinc/81/65/83/456816583.db2.gz CUOBJRCQCPTXTQ-ROUUACIJSA-N 2 0 343.515 3.275 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339066170 456924659 /nfs/dbraw/zinc/92/46/59/456924659.db2.gz IGNDBBBQIYTPRD-RTWAWAEBSA-N 3 0 327.516 3.115 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccco1 ZINC000339073044 456926999 /nfs/dbraw/zinc/92/69/99/456926999.db2.gz ZBOSGKCCCGVSBL-ZWKOTPCHSA-N 2 0 339.439 3.248 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)CC[C@@H]2C)cc1)C(C)C ZINC000354005234 457001715 /nfs/dbraw/zinc/00/17/15/457001715.db2.gz FTWMNHZZZGVWKJ-KRWDZBQOSA-N 2 0 331.504 3.083 20 0 EGADRP CC1(C)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000339258481 457023647 /nfs/dbraw/zinc/02/36/47/457023647.db2.gz RQWMBMAGMOWYRA-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000362646663 457024393 /nfs/dbraw/zinc/02/43/93/457024393.db2.gz QAQVRQVYNZEMSA-UYAOXDASSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](C[NH2+][C@@H]1CCCc2nn(C)cc21)N1CCc2ccccc2C1 ZINC000358911940 457034798 /nfs/dbraw/zinc/03/47/98/457034798.db2.gz DSWHDJORVMBUOT-AZUAARDMSA-N 2 0 338.499 3.224 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000354081738 457049506 /nfs/dbraw/zinc/04/95/06/457049506.db2.gz GWIZIEBVDAYEOZ-SFHVURJKSA-N 2 0 346.471 3.374 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362701178 457051958 /nfs/dbraw/zinc/05/19/58/457051958.db2.gz FJMDXPYIQZADMO-NSISKUIASA-N 2 0 333.495 3.235 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000339358982 457066885 /nfs/dbraw/zinc/06/68/85/457066885.db2.gz BJWLHZCYSRRODM-QUCCMNQESA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)OC1CC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000349850615 457076472 /nfs/dbraw/zinc/07/64/72/457076472.db2.gz MDIVVIJEYHQUGN-UHFFFAOYSA-N 2 0 332.488 3.207 20 0 EGADRP Cc1ccc(-c2ncc(C[NH+]3CCC(OCCC[NH3+])CC3)s2)cc1 ZINC000346677578 457108416 /nfs/dbraw/zinc/10/84/16/457108416.db2.gz KPKPXMXFOAWZQU-UHFFFAOYSA-N 2 0 345.512 3.448 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342113210 457113978 /nfs/dbraw/zinc/11/39/78/457113978.db2.gz BLUXQQUYLXTHMN-XIVBQZFQSA-N 2 0 337.467 3.226 20 0 EGADRP [NH3+]C1(C[NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)CCC1 ZINC000342133405 457127043 /nfs/dbraw/zinc/12/70/43/457127043.db2.gz MZOANFPRZNNBOS-UHFFFAOYSA-N 2 0 339.439 3.279 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@H]21 ZINC000342141445 457132485 /nfs/dbraw/zinc/13/24/85/457132485.db2.gz VAUXSQXWSSDRMJ-HMXCVIKNSA-N 2 0 349.478 3.498 20 0 EGADRP CN(Cc1cc(Br)ccc1OC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000359910358 457143659 /nfs/dbraw/zinc/14/36/59/457143659.db2.gz JGGDWJFNKLYOHF-LBPRGKRZSA-N 2 0 349.219 3.220 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000350017521 457145330 /nfs/dbraw/zinc/14/53/30/457145330.db2.gz JKTGDWHVXDCCBB-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP Cc1nc2ccccc2n1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350049224 457154990 /nfs/dbraw/zinc/15/49/90/457154990.db2.gz KJACOQZTXCXNIL-UHFFFAOYSA-N 2 0 342.487 3.160 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)CC3 ZINC000346808343 457177923 /nfs/dbraw/zinc/17/79/23/457177923.db2.gz NQYTXADSRLNQGP-LBTNJELSSA-N 2 0 327.472 3.106 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000356871754 457189004 /nfs/dbraw/zinc/18/90/04/457189004.db2.gz OYAHXQKWYDZECF-UHFFFAOYSA-N 2 0 343.437 3.255 20 0 EGADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(Br)c1 ZINC000360041725 457219179 /nfs/dbraw/zinc/21/91/79/457219179.db2.gz ZGPZKTRLQSLJDS-MRXNPFEDSA-N 2 0 343.309 3.458 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000354494476 457256654 /nfs/dbraw/zinc/25/66/54/457256654.db2.gz GEAUZTITBUJGOX-JYBIWHBTSA-N 2 0 346.515 3.464 20 0 EGADRP Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(-c2ccnn2C)c1 ZINC000357041786 457293296 /nfs/dbraw/zinc/29/32/96/457293296.db2.gz DEBKGQKVAKYVSW-GOSISDBHSA-N 2 0 338.499 3.217 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357045732 457295502 /nfs/dbraw/zinc/29/55/02/457295502.db2.gz IBXAZRIPIQAFJX-IBGZPJMESA-N 2 0 338.499 3.311 20 0 EGADRP C[C@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000351474011 457298726 /nfs/dbraw/zinc/29/87/26/457298726.db2.gz XCVZWDRYJQHMPZ-FPOVZHCZSA-N 2 0 329.532 3.457 20 0 EGADRP COc1cc(C)nc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000339832180 457298850 /nfs/dbraw/zinc/29/88/50/457298850.db2.gz ZKIWEDWCQFLZRG-UHFFFAOYSA-N 2 0 343.446 3.246 20 0 EGADRP CCC[N@H+](CCOCC[NH3+])[C@H](C)c1ccccc1Br ZINC000357102218 457323815 /nfs/dbraw/zinc/32/38/15/457323815.db2.gz JAUWBAPWDJAQJF-CYBMUJFWSA-N 2 0 329.282 3.197 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000352432516 457362221 /nfs/dbraw/zinc/36/22/21/457362221.db2.gz QPIOQRMYCMBURG-HKBOAZHASA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000360837966 457375354 /nfs/dbraw/zinc/37/53/54/457375354.db2.gz SORYTBVEHMTBIT-GDBMZVCRSA-N 2 0 344.421 3.073 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360836633 457375946 /nfs/dbraw/zinc/37/59/46/457375946.db2.gz MXTDSRHNCMJTJY-HXUWFJFHSA-N 2 0 329.532 3.415 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000360944729 457451521 /nfs/dbraw/zinc/45/15/21/457451521.db2.gz AHCMFOZGLQVOIY-LJQANCHMSA-N 2 0 338.499 3.253 20 0 EGADRP Fc1ccc(Br)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394089362 457469900 /nfs/dbraw/zinc/46/99/00/457469900.db2.gz MFFYRTWAUJVNKI-TXEJJXNPSA-N 2 0 327.241 3.020 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+](CC)CC ZINC000342724450 457480951 /nfs/dbraw/zinc/48/09/51/457480951.db2.gz CKLDIJUICZURCH-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CSC1(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCC1 ZINC000356141412 457481599 /nfs/dbraw/zinc/48/15/99/457481599.db2.gz VSJUHZRBZNRAPA-IAGOWNOFSA-N 2 0 340.577 3.483 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347528877 457488687 /nfs/dbraw/zinc/48/86/87/457488687.db2.gz TWXFXWQLOPRSMT-SJORKVTESA-N 2 0 341.499 3.016 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000356165348 457500768 /nfs/dbraw/zinc/50/07/68/457500768.db2.gz HRYWAEHPWWOHEL-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)cc2)C1 ZINC000342762709 457507219 /nfs/dbraw/zinc/50/72/19/457507219.db2.gz ZMGSXLZBHRNVTK-GPMSIDNRSA-N 2 0 329.488 3.245 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000400618106 457518079 /nfs/dbraw/zinc/51/80/79/457518079.db2.gz YONLOHPYWOYNOC-TUFLPTIASA-N 2 0 328.500 3.303 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000400618095 457518794 /nfs/dbraw/zinc/51/87/94/457518794.db2.gz YONLOHPYWOYNOC-ANULTFPQSA-N 2 0 328.500 3.303 20 0 EGADRP Cc1nccn1CCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347579614 457521561 /nfs/dbraw/zinc/52/15/61/457521561.db2.gz JZTNOQPVFGQMQX-MSOLQXFVSA-N 2 0 326.488 3.176 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000401130666 457524642 /nfs/dbraw/zinc/52/46/42/457524642.db2.gz NQDBLWSSNBFNJB-OBJCFNGXSA-N 2 0 327.516 3.017 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000347588372 457531182 /nfs/dbraw/zinc/53/11/82/457531182.db2.gz NCJXPWQOTVYWMN-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000352714837 457552386 /nfs/dbraw/zinc/55/23/86/457552386.db2.gz XMIZFMYHJVLAIQ-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000370306222 457614960 /nfs/dbraw/zinc/61/49/60/457614960.db2.gz UCXLSFRIRMGLFK-PCCBWWKXSA-N 2 0 330.516 3.346 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000357620839 457627919 /nfs/dbraw/zinc/62/79/19/457627919.db2.gz WPOGTNXDFPCUJU-QGZVFWFLSA-N 2 0 348.535 3.056 20 0 EGADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000361232258 457658461 /nfs/dbraw/zinc/65/84/61/457658461.db2.gz XWJFZFRNAUQUAY-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000374579138 457665218 /nfs/dbraw/zinc/66/52/18/457665218.db2.gz XDFLHWXYGYDFON-QLIIJSOBSA-N 2 0 346.515 3.481 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370670588 457696049 /nfs/dbraw/zinc/69/60/49/457696049.db2.gz FDXJUYUYLSBZDX-CGTJXYLNSA-N 2 0 329.488 3.183 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCCC1 ZINC000357813401 457699424 /nfs/dbraw/zinc/69/94/24/457699424.db2.gz GWNLDNDIPUXSAJ-NSHGMRRFSA-N 2 0 343.515 3.203 20 0 EGADRP CCc1noc(C2CCC([NH2+]CC(C)(C)C[NH+]3CCCC3)CC2)n1 ZINC000357845957 457709910 /nfs/dbraw/zinc/70/99/10/457709910.db2.gz HRQYANPDWSYSIU-UHFFFAOYSA-N 2 0 334.508 3.370 20 0 EGADRP CC(C)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000358005509 457737550 /nfs/dbraw/zinc/73/75/50/457737550.db2.gz NHZGEQZEPDTZQC-QMMLZNLJSA-N 2 0 329.532 3.142 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000433129992 457762490 /nfs/dbraw/zinc/76/24/90/457762490.db2.gz PZWAZDWWZHQUCL-UHFFFAOYSA-N 2 0 337.467 3.080 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)[C@H]1CCc2ccccc21 ZINC000433129503 457763396 /nfs/dbraw/zinc/76/33/96/457763396.db2.gz DMROIYNACLVSFT-FQEVSTJZSA-N 2 0 343.515 3.116 20 0 EGADRP C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000457693899 457796247 /nfs/dbraw/zinc/79/62/47/457796247.db2.gz IFKVYEKSTWCWRA-IAGOWNOFSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358152714 457819025 /nfs/dbraw/zinc/81/90/25/457819025.db2.gz HRFIAMGGJKOLHQ-QRWLVFNGSA-N 2 0 346.446 3.150 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCS[C@H](C)CC2)CC1 ZINC000426389471 457819401 /nfs/dbraw/zinc/81/94/01/457819401.db2.gz LNYPCOHTBZSCHX-QGZVFWFLSA-N 2 0 333.545 3.156 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]CCN2CCCC(C)(C)C2)CC1 ZINC000444029741 457843935 /nfs/dbraw/zinc/84/39/35/457843935.db2.gz IOCKAWUTDMSTFD-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCc1ccc(Cl)cc1 ZINC000371295905 457852873 /nfs/dbraw/zinc/85/28/73/457852873.db2.gz VSJMGWZJLMCXKG-QRVBRYPASA-N 2 0 336.907 3.456 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000371295042 457853407 /nfs/dbraw/zinc/85/34/07/457853407.db2.gz OIWIUACVOGXNFK-IKGGRYGDSA-N 2 0 342.405 3.389 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358233795 457877093 /nfs/dbraw/zinc/87/70/93/457877093.db2.gz FJFLEZVFNADRJB-JLTOFOAXSA-N 2 0 343.446 3.184 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000358252723 457889673 /nfs/dbraw/zinc/88/96/73/457889673.db2.gz NTNNAHAREXBTIZ-JKSUJKDBSA-N 2 0 330.394 3.059 20 0 EGADRP Cc1ccc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)ccc2n1 ZINC000375356394 457895165 /nfs/dbraw/zinc/89/51/65/457895165.db2.gz NJLWDBWXKLJNQO-HLAWJBBLSA-N 2 0 339.483 3.227 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000411475233 457898249 /nfs/dbraw/zinc/89/82/49/457898249.db2.gz MOLNMLWYNGRPJX-FQEVSTJZSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411489685 457900931 /nfs/dbraw/zinc/90/09/31/457900931.db2.gz MYWOKHHTCXTOKT-BHIYHBOVSA-N 2 0 337.552 3.026 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000411541995 457915754 /nfs/dbraw/zinc/91/57/54/457915754.db2.gz XRXHGALEPJSIQR-GFCCVEGCSA-N 2 0 343.924 3.041 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000411620235 457929976 /nfs/dbraw/zinc/92/99/76/457929976.db2.gz LXUXDAWSOXXIME-YLJYHZDGSA-N 2 0 344.499 3.304 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000411626366 457932253 /nfs/dbraw/zinc/93/22/53/457932253.db2.gz ZQVHMIQQJXPYIS-PXNSSMCTSA-N 2 0 344.499 3.304 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411645154 457938678 /nfs/dbraw/zinc/93/86/78/457938678.db2.gz KPRPDGKLQRMIMO-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000434055876 457938808 /nfs/dbraw/zinc/93/88/08/457938808.db2.gz AQTWOIBMXDYUKA-VQTJNVASSA-N 2 0 343.515 3.203 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C)c(C)s2)[C@@H](C)C1 ZINC000361944071 457970719 /nfs/dbraw/zinc/97/07/19/457970719.db2.gz GJUKNKYSTWPQEV-WMLDXEAASA-N 2 0 339.549 3.029 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccsc2S1 ZINC000361965483 457981745 /nfs/dbraw/zinc/98/17/45/457981745.db2.gz DBLQHNHSFSUHSU-CZUORRHYSA-N 2 0 339.574 3.289 20 0 EGADRP CCOC1CC(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000375716711 458034101 /nfs/dbraw/zinc/03/41/01/458034101.db2.gz LPGXTIPTQNKEQS-FWYSVENZSA-N 2 0 338.536 3.013 20 0 EGADRP Cn1cc([C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)c2ccccc2)cn1 ZINC000371745819 458058690 /nfs/dbraw/zinc/05/86/90/458058690.db2.gz FQUYQZWIRNSVPL-NRFANRHFSA-N 2 0 343.434 3.485 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000375906092 458119361 /nfs/dbraw/zinc/11/93/61/458119361.db2.gz OFVVMSWNHMDOBB-CTNGQTDRSA-N 2 0 327.516 3.164 20 0 EGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000435372471 458122548 /nfs/dbraw/zinc/12/25/48/458122548.db2.gz JPXDNKXCIILIID-HZPDHXFCSA-N 2 0 326.488 3.339 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(C)c1OCc1ccccn1 ZINC000435375601 458124419 /nfs/dbraw/zinc/12/44/19/458124419.db2.gz VRWHBDWTDNQMBZ-UHFFFAOYSA-N 2 0 339.483 3.448 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000428394346 458133987 /nfs/dbraw/zinc/13/39/87/458133987.db2.gz UKHDBQPTEHLHAL-IAGOWNOFSA-N 2 0 329.488 3.402 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000435397307 458138300 /nfs/dbraw/zinc/13/83/00/458138300.db2.gz FMDJCGRHOGHDCX-UHFFFAOYSA-N 2 0 340.515 3.400 20 0 EGADRP COc1ccccc1CN(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435436848 458146816 /nfs/dbraw/zinc/14/68/16/458146816.db2.gz HPTQJGYMIOPQPC-HNNXBMFYSA-N 2 0 331.485 3.072 20 0 EGADRP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435447716 458149615 /nfs/dbraw/zinc/14/96/15/458149615.db2.gz QSDMQFICFGKPFO-AWEZNQCLSA-N 2 0 346.393 3.210 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)CCN1Cc1ccccc1 ZINC000358717941 458168206 /nfs/dbraw/zinc/16/82/06/458168206.db2.gz GRFFHGJSQBKSOO-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CCc1cccc(CC)c1NC(=O)CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000435626531 458176501 /nfs/dbraw/zinc/17/65/01/458176501.db2.gz KTFPQCQPQDQJNY-GOSISDBHSA-N 2 0 331.504 3.214 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000358755435 458195814 /nfs/dbraw/zinc/19/58/14/458195814.db2.gz SNWJLIPGLAUCLP-VQIMIIECSA-N 2 0 340.458 3.488 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412417413 458197434 /nfs/dbraw/zinc/19/74/34/458197434.db2.gz KOHOBEYELSLEFH-SFHVURJKSA-N 2 0 343.515 3.134 20 0 EGADRP C[NH2+]CCCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000435884653 458217751 /nfs/dbraw/zinc/21/77/51/458217751.db2.gz VMVPXPGENADZII-NRFANRHFSA-N 2 0 340.467 3.261 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cc2)C1 ZINC000435892088 458219054 /nfs/dbraw/zinc/21/90/54/458219054.db2.gz JFPCEJLKPGWIFI-YRISNDGFSA-N 2 0 341.499 3.247 20 0 EGADRP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000436295918 458284249 /nfs/dbraw/zinc/28/42/49/458284249.db2.gz IFEBBIHUTIVHGF-QFBILLFUSA-N 2 0 331.504 3.408 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447529236 458305482 /nfs/dbraw/zinc/30/54/82/458305482.db2.gz JQZUEOSTJACFSU-JRGCBEDISA-N 2 0 329.532 3.487 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000447569146 458313755 /nfs/dbraw/zinc/31/37/55/458313755.db2.gz AWTSUXQRQNKLRZ-ZDUSSCGKSA-N 2 0 337.533 3.165 20 0 EGADRP Cc1cnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000447583933 458316303 /nfs/dbraw/zinc/31/63/03/458316303.db2.gz DHUNZDMVXZRRKN-ACDBMABISA-N 2 0 336.483 3.113 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCSCc1ccccc1 ZINC000376490014 458316239 /nfs/dbraw/zinc/31/62/39/458316239.db2.gz FWPFTAKVEALRBI-VAMGGRTRSA-N 2 0 348.556 3.493 20 0 EGADRP CC[NH2+]CC1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000429500891 458338226 /nfs/dbraw/zinc/33/82/26/458338226.db2.gz ZCUIOJVYTXSUSF-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000429577206 458347747 /nfs/dbraw/zinc/34/77/47/458347747.db2.gz DZMZNDXODNYXBT-XLIONFOSSA-N 2 0 343.515 3.019 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000459385894 458354911 /nfs/dbraw/zinc/35/49/11/458354911.db2.gz GYTFXXAZXSLBEL-UHFFFAOYSA-N 2 0 327.516 3.212 20 0 EGADRP CCOc1cc(C[NH2+]C2CCN(c3cccc(C)n3)CC2)ccc1O ZINC000459410757 458362404 /nfs/dbraw/zinc/36/24/04/458362404.db2.gz KPJXDGYBNCQYKL-UHFFFAOYSA-N 2 0 341.455 3.253 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000447900369 458364136 /nfs/dbraw/zinc/36/41/36/458364136.db2.gz BQRKJTJTMNCTPT-FQEVSTJZSA-N 2 0 329.532 3.361 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459456235 458377273 /nfs/dbraw/zinc/37/72/73/458377273.db2.gz ZJFFNHMUQJPEOO-OALUTQOASA-N 2 0 336.907 3.240 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000423429689 458431606 /nfs/dbraw/zinc/43/16/06/458431606.db2.gz PEXWEQVJDVRPCX-WUJZJPHMSA-N 2 0 329.488 3.043 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H](C)C1 ZINC000423435925 458432830 /nfs/dbraw/zinc/43/28/30/458432830.db2.gz DYCZMMMFWQUPBD-PXNSSMCTSA-N 2 0 345.531 3.271 20 0 EGADRP c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc(C[NH+]2CCCC2)c1 ZINC000373221957 458434492 /nfs/dbraw/zinc/43/44/92/458434492.db2.gz ADTNOPQGQXWJLW-AQNXPRMDSA-N 2 0 326.484 3.330 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000423459899 458435391 /nfs/dbraw/zinc/43/53/91/458435391.db2.gz AGCZWFMQHJVPAG-OHQAAIJDSA-N 2 0 330.472 3.275 20 0 EGADRP CC[C@H]([NH3+])C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423464448 458436414 /nfs/dbraw/zinc/43/64/14/458436414.db2.gz MAMNKMFAWHSQJJ-JKSUJKDBSA-N 2 0 341.293 3.244 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423467935 458437401 /nfs/dbraw/zinc/43/74/01/458437401.db2.gz UQEVTYZZCHNSOA-NOLJZWGESA-N 2 0 347.894 3.397 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCNCC1(F)F)c1nc(C(F)(F)F)cs1 ZINC000423484998 458441609 /nfs/dbraw/zinc/44/16/09/458441609.db2.gz SSSLYXSZFWSSPX-JGVFFNPUSA-N 2 0 329.338 3.057 20 0 EGADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000423503829 458444561 /nfs/dbraw/zinc/44/45/61/458444561.db2.gz GHQHKKCSHIMXAB-PBHICJAKSA-N 2 0 339.439 3.148 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423505531 458446482 /nfs/dbraw/zinc/44/64/82/458446482.db2.gz LVPBIZYADOQQSI-NXNFSMPISA-N 3 0 327.516 3.004 20 0 EGADRP C[C@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000423527201 458452815 /nfs/dbraw/zinc/45/28/15/458452815.db2.gz LYMJSDWGUDZDJN-OUFMZXHOSA-N 2 0 349.522 3.385 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539475 458454756 /nfs/dbraw/zinc/45/47/56/458454756.db2.gz IJYACHMQYPMXCG-CXUGXGMPSA-N 2 0 335.289 3.414 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000373311327 458458538 /nfs/dbraw/zinc/45/85/38/458458538.db2.gz POXFOPFBKKPNOC-INIZCTEOSA-N 2 0 336.549 3.356 20 0 EGADRP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccc2ccccc2c1 ZINC000423612384 458463977 /nfs/dbraw/zinc/46/39/77/458463977.db2.gz OIPBWRHHUQLWEQ-VQTJNVASSA-N 2 0 339.483 3.254 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1 ZINC000423610478 458463996 /nfs/dbraw/zinc/46/39/96/458463996.db2.gz MLTRNEMNVMGPSH-ACJLOTCBSA-N 2 0 343.858 3.146 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000430571094 458464191 /nfs/dbraw/zinc/46/41/91/458464191.db2.gz LDVOZMYSWTUKNC-HOCLYGCPSA-N 2 0 346.450 3.176 20 0 EGADRP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC(C)(C)C[NH3+] ZINC000430593075 458468425 /nfs/dbraw/zinc/46/84/25/458468425.db2.gz CYQIPZJSTNQPAS-UHFFFAOYSA-N 2 0 325.456 3.356 20 0 EGADRP C[NH2+]C[C@@H]1CCCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619184 458471681 /nfs/dbraw/zinc/47/16/81/458471681.db2.gz ZQSMXLSUJCOGRZ-OLZOCXBDSA-N 2 0 334.851 3.382 20 0 EGADRP CC(C)(C)C[C@H](NC(=O)CN1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611874 458472051 /nfs/dbraw/zinc/47/20/51/458472051.db2.gz PXKYFQADMAFIHO-YJBOKZPZSA-N 2 0 349.494 3.090 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000430698456 458481758 /nfs/dbraw/zinc/48/17/58/458481758.db2.gz NLSBXZJZELYUDT-QXAKKESOSA-N 2 0 330.520 3.138 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CCCCC1 ZINC000460122481 458501314 /nfs/dbraw/zinc/50/13/14/458501314.db2.gz AXLAHKBAGOAPDS-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000430957963 458510432 /nfs/dbraw/zinc/51/04/32/458510432.db2.gz REYWFHUCKLYEJI-OAHLLOKOSA-N 2 0 349.494 3.012 20 0 EGADRP Fc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760052 458514977 /nfs/dbraw/zinc/51/49/77/458514977.db2.gz INHNVKJTPBMGDF-ROUUACIJSA-N 2 0 325.431 3.175 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431082524 458526472 /nfs/dbraw/zinc/52/64/72/458526472.db2.gz VBJVWLZDGCEJGH-OAHLLOKOSA-N 2 0 334.439 3.102 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(Br)c2)[C@@H](C)C1 ZINC000468548161 458526805 /nfs/dbraw/zinc/52/68/05/458526805.db2.gz NRGYFANFRSZEDO-BBRMVZONSA-N 2 0 325.294 3.312 20 0 EGADRP CCC(CC)[C@@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424021879 458538795 /nfs/dbraw/zinc/53/87/95/458538795.db2.gz RVLUEIGXHCXNFV-QGZVFWFLSA-N 2 0 345.531 3.168 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000377833671 458545173 /nfs/dbraw/zinc/54/51/73/458545173.db2.gz FNSPLBKXHJYHDA-HMXCVIKNSA-N 2 0 344.499 3.161 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000424080419 458553145 /nfs/dbraw/zinc/55/31/45/458553145.db2.gz VOPMIVPWCWDUGP-HLIPFELVSA-N 2 0 345.531 3.364 20 0 EGADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)CC1CCCCC1 ZINC000424155583 458572086 /nfs/dbraw/zinc/57/20/86/458572086.db2.gz MXPZDYZDIJOZJQ-QZTJIDSGSA-N 2 0 335.536 3.197 20 0 EGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424187355 458579955 /nfs/dbraw/zinc/57/99/55/458579955.db2.gz ILNONFQRQVIGDF-APWZRJJASA-N 2 0 337.552 3.253 20 0 EGADRP CC[C@@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)[N@H+](C)Cc1ccccc1 ZINC000424252096 458592962 /nfs/dbraw/zinc/59/29/62/458592962.db2.gz YNDBAUUIKOQINI-IBGZPJMESA-N 2 0 325.456 3.303 20 0 EGADRP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000469954458 458602999 /nfs/dbraw/zinc/60/29/99/458602999.db2.gz VFZBUZMJTNOYQE-DENIHFKCSA-N 2 0 343.559 3.310 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424295896 458607384 /nfs/dbraw/zinc/60/73/84/458607384.db2.gz ROLYEFNDULIMQO-AWEZNQCLSA-N 2 0 335.879 3.133 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000424308851 458611920 /nfs/dbraw/zinc/61/19/20/458611920.db2.gz HDLJNXZESXVHAD-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000493988818 458611950 /nfs/dbraw/zinc/61/19/50/458611950.db2.gz LLBTZIAZSWIFKX-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC000470135169 458614855 /nfs/dbraw/zinc/61/48/55/458614855.db2.gz SJABRZVQTYPKKX-AEFFLSMTSA-N 2 0 332.488 3.028 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494655125 458722162 /nfs/dbraw/zinc/72/21/62/458722162.db2.gz ZMNWATGAOYDLFW-FQEVSTJZSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)cc2c1C ZINC000432369483 458726376 /nfs/dbraw/zinc/72/63/76/458726376.db2.gz VWWSYQMMVOEMFP-MRXNPFEDSA-N 2 0 329.488 3.375 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000504016096 458735461 /nfs/dbraw/zinc/73/54/61/458735461.db2.gz JKFHSMIZDZRYDK-UHFFFAOYSA-N 2 0 340.556 3.010 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494943358 458769993 /nfs/dbraw/zinc/76/99/93/458769993.db2.gz VWURGBZPPUDEOH-MRXNPFEDSA-N 2 0 331.504 3.161 20 0 EGADRP CCOc1ccc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1F ZINC000494952885 458772020 /nfs/dbraw/zinc/77/20/20/458772020.db2.gz PIWOTDHBTOOCQQ-QGZVFWFLSA-N 2 0 338.467 3.157 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473317896 458825528 /nfs/dbraw/zinc/82/55/28/458825528.db2.gz USGLMWAKGGPGNJ-PMACEKPBSA-N 2 0 345.531 3.324 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000457053952 458849646 /nfs/dbraw/zinc/84/96/46/458849646.db2.gz KODGIQGWXRMTRN-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CCSCC1 ZINC000474720130 458898164 /nfs/dbraw/zinc/89/81/64/458898164.db2.gz OYVMMRSKADPYOV-MRXNPFEDSA-N 2 0 336.545 3.291 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2nccn2c1)c1ccc(Cl)cc1 ZINC000531306383 458898402 /nfs/dbraw/zinc/89/84/02/458898402.db2.gz MXCBSMRWHRFNKE-INIZCTEOSA-N 2 0 342.830 3.020 20 0 EGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000474730411 458899062 /nfs/dbraw/zinc/89/90/62/458899062.db2.gz IAERFXWEJHJPDE-HKBOAZHASA-N 2 0 330.516 3.346 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(C)ccc(C)c2C)C[C@@H]1C ZINC000531382252 458909421 /nfs/dbraw/zinc/90/94/21/458909421.db2.gz KASXBOQQEXVHIL-IHPCNDPISA-N 2 0 348.531 3.156 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495684459 458918144 /nfs/dbraw/zinc/91/81/44/458918144.db2.gz BHDOFLNSZBDHKW-CGZBRXJRSA-N 2 0 339.524 3.001 20 0 EGADRP Cc1ccc(-c2ccc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)o2)cc1 ZINC000441368296 458928513 /nfs/dbraw/zinc/92/85/13/458928513.db2.gz SGGYVKLSXQQNNJ-UHFFFAOYSA-N 2 0 341.499 3.371 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000576935880 458949333 /nfs/dbraw/zinc/94/93/33/458949333.db2.gz GESHTMXQOAYKQV-MRXNPFEDSA-N 2 0 335.467 3.399 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCn3ccnc3)C2)s1 ZINC000577026197 458966106 /nfs/dbraw/zinc/96/61/06/458966106.db2.gz SDWJLHOBFOCWKV-KRWDZBQOSA-N 2 0 332.517 3.097 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCN1CCCC[C@@H]1C ZINC000495849903 458976223 /nfs/dbraw/zinc/97/62/23/458976223.db2.gz LUDPQSCYMBXNFS-HOTGVXAUSA-N 2 0 327.513 3.144 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495876062 458988857 /nfs/dbraw/zinc/98/88/57/458988857.db2.gz NBRYTCUKCHMVQU-RDJZCZTQSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000495879553 458990142 /nfs/dbraw/zinc/99/01/42/458990142.db2.gz VRGOZRKGZCWANY-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP Clc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000531968933 459008956 /nfs/dbraw/zinc/00/89/56/459008956.db2.gz JKYMNAJBXBUYMT-IFXJQAMLSA-N 2 0 334.891 3.418 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)cc1 ZINC000442756918 459031598 /nfs/dbraw/zinc/03/15/98/459031598.db2.gz LARHRMHVCUMVMH-ZACQAIPSSA-N 2 0 326.444 3.391 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000556915694 459033082 /nfs/dbraw/zinc/03/30/82/459033082.db2.gz SKQUOBUVFVEDJI-DYVFJYSZSA-N 2 0 326.431 3.442 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000532193209 459044543 /nfs/dbraw/zinc/04/45/43/459044543.db2.gz SPIRGLKEZLSLEZ-UHFFFAOYSA-N 2 0 327.516 3.102 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000557052265 459046506 /nfs/dbraw/zinc/04/65/06/459046506.db2.gz TZUXGFQYJIIUJS-HNNXBMFYSA-N 2 0 344.503 3.312 20 0 EGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000442893307 459056724 /nfs/dbraw/zinc/05/67/24/459056724.db2.gz XTTZTDICSDYRTK-CVEARBPZSA-N 2 0 337.939 3.448 20 0 EGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477916894 459066590 /nfs/dbraw/zinc/06/65/90/459066590.db2.gz NJCOHFDIDKGWEQ-LJQANCHMSA-N 2 0 336.495 3.485 20 0 EGADRP Fc1ccc(COc2cccc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000577633711 459066640 /nfs/dbraw/zinc/06/66/40/459066640.db2.gz VBWWZYNTRIHYMX-RBUKOAKNSA-N 2 0 340.442 3.446 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000520738421 459088361 /nfs/dbraw/zinc/08/83/61/459088361.db2.gz CBNCRVJKLKQBOF-UHFFFAOYSA-N 2 0 345.531 3.409 20 0 EGADRP CC1(C)CC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC(C)(C)[NH2+]1 ZINC000557665478 459096260 /nfs/dbraw/zinc/09/62/60/459096260.db2.gz PMNWHNZCOHWYOL-UHFFFAOYSA-N 2 0 339.430 3.192 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532484972 459096566 /nfs/dbraw/zinc/09/65/66/459096566.db2.gz QNDVAHPKGGSVLB-RXVVDRJESA-N 2 0 329.532 3.391 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1 ZINC000532531124 459105743 /nfs/dbraw/zinc/10/57/43/459105743.db2.gz OWVGAARDZMDSMC-CVEARBPZSA-N 2 0 332.492 3.209 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000521037314 459114220 /nfs/dbraw/zinc/11/42/20/459114220.db2.gz DJNNKDSNLQAQQN-IAGOWNOFSA-N 2 0 331.504 3.065 20 0 EGADRP CC1CC[NH+](CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000558477765 459163925 /nfs/dbraw/zinc/16/39/25/459163925.db2.gz IWRGCKYPIYLUJG-VXKWHMMOSA-N 2 0 341.543 3.172 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496363386 459166864 /nfs/dbraw/zinc/16/68/64/459166864.db2.gz OJPIZSDTPXTLNC-JENIJYKNSA-N 2 0 345.487 3.147 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000479794219 459167311 /nfs/dbraw/zinc/16/73/11/459167311.db2.gz SXZLXBBMLOVLEQ-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCC[C@@H](C)C1 ZINC000480618987 459209798 /nfs/dbraw/zinc/20/97/98/459209798.db2.gz YRHBVHQWGLPGAJ-QRVBRYPASA-N 2 0 347.547 3.398 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000578503684 459213026 /nfs/dbraw/zinc/21/30/26/459213026.db2.gz GGUVZWHXJCUTCW-QZTJIDSGSA-N 2 0 345.874 3.067 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000590787065 459218747 /nfs/dbraw/zinc/21/87/47/459218747.db2.gz RKAYWMYKBMQMSC-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000590818908 459231826 /nfs/dbraw/zinc/23/18/26/459231826.db2.gz HKZFANTUFVDXOU-QGZVFWFLSA-N 2 0 331.504 3.090 20 0 EGADRP Cc1nn(C)cc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000533739187 459265987 /nfs/dbraw/zinc/26/59/87/459265987.db2.gz XPOZUOOLKDJUCK-APWZRJJASA-N 2 0 326.488 3.119 20 0 EGADRP CCc1ccc(CC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000568553822 459307673 /nfs/dbraw/zinc/30/76/73/459307673.db2.gz YDZRLQGBWGRSMA-PMACEKPBSA-N 2 0 343.559 3.282 20 0 EGADRP CCc1ccc(CC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000568553823 459307971 /nfs/dbraw/zinc/30/79/71/459307971.db2.gz YDZRLQGBWGRSMA-WOJBJXKFSA-N 2 0 343.559 3.282 20 0 EGADRP CCCc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000482529299 459313120 /nfs/dbraw/zinc/31/31/20/459313120.db2.gz KCPVBNQFHGETAZ-UHFFFAOYSA-N 2 0 343.559 3.489 20 0 EGADRP CCCn1ccnc1CCCN(C)CN1CC(CC)(CC)OC1=O ZINC000496794617 459326959 /nfs/dbraw/zinc/32/69/59/459326959.db2.gz XSEQYKFEQITUQZ-UHFFFAOYSA-N 2 0 336.480 3.126 20 0 EGADRP COC(=O)c1cc2cc(CN3CCC[C@]4(CC[N@H+](C)C4)C3)ccc2o1 ZINC000595507927 459328519 /nfs/dbraw/zinc/32/85/19/459328519.db2.gz RKGQYGGSSZHFES-HXUWFJFHSA-N 2 0 342.439 3.137 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482944699 459331350 /nfs/dbraw/zinc/33/13/50/459331350.db2.gz HHESCWFJXWIJLA-WIYYLYMNSA-N 2 0 329.532 3.492 20 0 EGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483201255 459350091 /nfs/dbraw/zinc/35/00/91/459350091.db2.gz PULMMMSZIQIYGQ-IBGZPJMESA-N 2 0 349.563 3.413 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000568933962 459366298 /nfs/dbraw/zinc/36/62/98/459366298.db2.gz LNPKFFLTPZPUAU-FQEVSTJZSA-N 2 0 345.531 3.035 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000568976719 459375904 /nfs/dbraw/zinc/37/59/04/459375904.db2.gz DOLLVFAEEYEXGS-UHFFFAOYSA-N 2 0 335.467 3.174 20 0 EGADRP Fc1ccc(-c2noc([C@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000582537136 459381966 /nfs/dbraw/zinc/38/19/66/459381966.db2.gz PGBWSAJVAIMLLZ-ZBFHGGJFSA-N 2 0 344.434 3.055 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000582610148 459395108 /nfs/dbraw/zinc/39/51/08/459395108.db2.gz OSVRTPUOUVXIBR-SJORKVTESA-N 2 0 347.503 3.253 20 0 EGADRP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000560827085 459399801 /nfs/dbraw/zinc/39/98/01/459399801.db2.gz UTVAPYOFELOOQQ-QUCCMNQESA-N 2 0 345.531 3.402 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000591718904 459425794 /nfs/dbraw/zinc/42/57/94/459425794.db2.gz QXEYSAYWOXIUBZ-UHFFFAOYSA-N 2 0 345.531 3.125 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000569350133 459436639 /nfs/dbraw/zinc/43/66/39/459436639.db2.gz VHZZLNFHALAZFW-SDBZWSHOSA-N 2 0 336.483 3.355 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000561479002 459457651 /nfs/dbraw/zinc/45/76/51/459457651.db2.gz CEPDBZNKOLRRKI-MPJJRAAHSA-N 2 0 343.559 3.432 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cncc(Br)c1 ZINC000582976503 459461198 /nfs/dbraw/zinc/46/11/98/459461198.db2.gz PWXCSIJWNWITRT-VCANKDNSSA-N 2 0 326.282 3.368 20 0 EGADRP Cc1ccncc1CCC[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000497152504 459462335 /nfs/dbraw/zinc/46/23/35/459462335.db2.gz QZNZEXZZNCKCSS-ROUUACIJSA-N 2 0 345.487 3.264 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)[NH+]1CCCCC1 ZINC000541557367 459466074 /nfs/dbraw/zinc/46/60/74/459466074.db2.gz FUGQZGQTYMXGMQ-HOTGVXAUSA-N 2 0 329.488 3.486 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000583071927 459476586 /nfs/dbraw/zinc/47/65/86/459476586.db2.gz FTLUCBNDDOIRKC-TYNCELHUSA-N 2 0 343.393 3.140 20 0 EGADRP COc1cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000583071857 459477337 /nfs/dbraw/zinc/47/73/37/459477337.db2.gz VYBFBMYCZKDJRK-TZMCWYRMSA-N 2 0 328.403 3.117 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000562039371 459506321 /nfs/dbraw/zinc/50/63/21/459506321.db2.gz GTJIKUCWWLDKAO-LJISPDSOSA-N 2 0 336.442 3.442 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000569874420 459523093 /nfs/dbraw/zinc/52/30/93/459523093.db2.gz GNZPJKKBLPHYFT-KRWDZBQOSA-N 2 0 345.531 3.276 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C2CCCC2)o1 ZINC000542670257 459581017 /nfs/dbraw/zinc/58/10/17/459581017.db2.gz DRKBYHUYDOLNBT-HXUWFJFHSA-N 2 0 333.520 3.437 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)CN1CC[NH+](C)CC1 ZINC000542669033 459581363 /nfs/dbraw/zinc/58/13/63/459581363.db2.gz QWVHZVOEDZMTKC-WCNVDHFSSA-N 2 0 333.564 3.064 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000498347263 459582225 /nfs/dbraw/zinc/58/22/25/459582225.db2.gz WNEYIZULINFRSK-XLIONFOSSA-N 2 0 345.531 3.495 20 0 EGADRP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000592437160 459600288 /nfs/dbraw/zinc/60/02/88/459600288.db2.gz ASGBNZDPBVPIFC-OKYOBFRVSA-N 2 0 330.472 3.047 20 0 EGADRP CN(C[C@H](O)C[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000572992655 459608257 /nfs/dbraw/zinc/60/82/57/459608257.db2.gz XKQBNXHIOBISQE-MRXNPFEDSA-N 2 0 344.421 3.028 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)CC[NH2+]1 ZINC000527617433 459671292 /nfs/dbraw/zinc/67/12/92/459671292.db2.gz KZUYDPAZDUTRQX-VXGBXAGGSA-N 2 0 341.268 3.334 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000563036065 459702107 /nfs/dbraw/zinc/70/21/07/459702107.db2.gz ALIQCGSOYNRQTA-AEFFLSMTSA-N 2 0 331.504 3.093 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527692274 459702511 /nfs/dbraw/zinc/70/25/11/459702511.db2.gz RLQVFMMJPSTKEV-HXUWFJFHSA-N 2 0 335.451 3.024 20 0 EGADRP CSCC1(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000596652433 459716083 /nfs/dbraw/zinc/71/60/83/459716083.db2.gz UHYADUFNDCFJOL-LPHOPBHVSA-N 2 0 332.513 3.365 20 0 EGADRP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501795586 459744107 /nfs/dbraw/zinc/74/41/07/459744107.db2.gz NWYBTXZJHPPABT-SFHVURJKSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000502021571 459755483 /nfs/dbraw/zinc/75/54/83/459755483.db2.gz XAMWXHGVQSUQHW-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)[C@H]3CCC[C@@H]32)cc1 ZINC000527978737 459787102 /nfs/dbraw/zinc/78/71/02/459787102.db2.gz GITLLTGFOBLZMP-XUPOMNEHSA-N 2 0 326.484 3.198 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000584782877 459801378 /nfs/dbraw/zinc/80/13/78/459801378.db2.gz VBSZHOSRZKGJLW-BHDDXSALSA-N 2 0 335.495 3.146 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2n[nH]cc2c1 ZINC000566088586 459803415 /nfs/dbraw/zinc/80/34/15/459803415.db2.gz FMPSZGDJWSPWGE-UQIDSAAFSA-N 2 0 348.450 3.469 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)c2ccccc21 ZINC000566089209 459803627 /nfs/dbraw/zinc/80/36/27/459803627.db2.gz GRTUMWOAQXBDIM-VXGBXAGGSA-N 2 0 327.375 3.439 20 0 EGADRP CC(C)OC1CC[NH+](C/C=C\C[NH+]2CCC(OC(C)C)CC2)CC1 ZINC000593304306 459835087 /nfs/dbraw/zinc/83/50/87/459835087.db2.gz ZTSDBTGUNGQEOT-WAYWQWQTSA-N 2 0 338.536 3.321 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCc2cncn2C)CC1 ZINC000566414848 459862220 /nfs/dbraw/zinc/86/22/20/459862220.db2.gz SGWNEUMBHQZGJR-SFHVURJKSA-N 2 0 332.536 3.329 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000621641545 459994484 /nfs/dbraw/zinc/99/44/84/459994484.db2.gz NOZCZHKUQJKXHY-SFHVURJKSA-N 2 0 343.515 3.069 20 0 EGADRP CC(C)CN1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000614325903 460096761 /nfs/dbraw/zinc/09/67/61/460096761.db2.gz TUQKAYSLMUZDJG-INIZCTEOSA-N 2 0 331.287 3.440 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000576250581 460102604 /nfs/dbraw/zinc/10/26/04/460102604.db2.gz DSYSQLWGLGEJNZ-VAMGGRTRSA-N 2 0 341.499 3.436 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000599310321 460225482 /nfs/dbraw/zinc/22/54/82/460225482.db2.gz QANKFSGZNZOGBX-FXAWDEMLSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599311618 460226408 /nfs/dbraw/zinc/22/64/08/460226408.db2.gz ZFLRWTMUBGWTCF-PXNSSMCTSA-N 2 0 343.515 3.019 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000626062574 460357828 /nfs/dbraw/zinc/35/78/28/460357828.db2.gz XZAFFFDEUIZIBM-MRXNPFEDSA-N 2 0 331.504 3.017 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCC1CCOCC1 ZINC000603949329 460363853 /nfs/dbraw/zinc/36/38/53/460363853.db2.gz RXVHBWCCTBRNKU-UHFFFAOYSA-N 2 0 332.488 3.068 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(C[NH+](CC)CC)CC2)c1C ZINC000600109249 460384366 /nfs/dbraw/zinc/38/43/66/460384366.db2.gz IFFHOSHJSLFIDA-UHFFFAOYSA-N 2 0 349.519 3.362 20 0 EGADRP CCC(O)(CC)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000628479895 460433255 /nfs/dbraw/zinc/43/32/55/460433255.db2.gz MHMZTJCNGYURNE-UHFFFAOYSA-N 2 0 347.547 3.200 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631569610 460448779 /nfs/dbraw/zinc/44/87/79/460448779.db2.gz LNEWDLVRDOBUPT-QZTJIDSGSA-N 2 0 342.531 3.105 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)CC1 ZINC000634678503 460471766 /nfs/dbraw/zinc/47/17/66/460471766.db2.gz VWXBSSYGXYSCRF-HNAYVOBHSA-N 2 0 339.474 3.278 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634678286 460472252 /nfs/dbraw/zinc/47/22/52/460472252.db2.gz OHROHFGNXLLTTC-SFHVURJKSA-N 2 0 334.504 3.454 20 0 EGADRP CCC[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631668119 460501529 /nfs/dbraw/zinc/50/15/29/460501529.db2.gz VSNBRNMXHKLFOE-QUCCMNQESA-N 2 0 329.532 3.219 20 0 EGADRP C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000628742026 460520521 /nfs/dbraw/zinc/52/05/21/460520521.db2.gz AGGAFVPXIPWHFI-LJQANCHMSA-N 2 0 343.515 3.134 20 0 EGADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000635495040 460810957 /nfs/dbraw/zinc/81/09/57/460810957.db2.gz MGHHNFJSOKLQMJ-ICSRJNTNSA-N 2 0 347.547 3.118 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)c1 ZINC000624120193 460868365 /nfs/dbraw/zinc/86/83/65/460868365.db2.gz UGDKPXPLLCQXHA-ZWKOTPCHSA-N 2 0 331.504 3.342 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CC3 ZINC000624121837 460870470 /nfs/dbraw/zinc/87/04/70/460870470.db2.gz DPIPUGPHHNRIHP-HZPDHXFCSA-N 2 0 341.499 3.355 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000632893298 460872609 /nfs/dbraw/zinc/87/26/09/460872609.db2.gz SQAZMEHTILTWLF-WBVHZDCISA-N 2 0 344.503 3.405 20 0 EGADRP COc1cc(OC)cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC000629748879 460907114 /nfs/dbraw/zinc/90/71/14/460907114.db2.gz KBNZHTWCTQGOEZ-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP Cc1cn2ccc(C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)cc2n1 ZINC000635819866 460938786 /nfs/dbraw/zinc/93/87/86/460938786.db2.gz IUTTXUJIJCWMNR-UHFFFAOYSA-N 2 0 342.487 3.369 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000629948439 460968634 /nfs/dbraw/zinc/96/86/34/460968634.db2.gz HIVICTKTEFRECF-MRXNPFEDSA-N 2 0 329.488 3.341 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000602022947 460993351 /nfs/dbraw/zinc/99/33/51/460993351.db2.gz UPRNPESLTQFUPZ-OHDICMOHSA-N 2 0 330.472 3.275 20 0 EGADRP Cc1ccc([C@H](C)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000628238470 461058373 /nfs/dbraw/zinc/05/83/73/461058373.db2.gz ZXUZLSADVSBQOD-HXUWFJFHSA-N 2 0 343.559 3.448 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCCC2 ZINC000646229210 461137405 /nfs/dbraw/zinc/13/74/05/461137405.db2.gz QGOZZOXEHMSHKU-FQEVSTJZSA-N 2 0 344.499 3.041 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c2ccccc2n1 ZINC000652349586 461144542 /nfs/dbraw/zinc/14/45/42/461144542.db2.gz UNUJPRBJOCETFV-MDKPJZGXSA-N 2 0 339.483 3.262 20 0 EGADRP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350121 461145645 /nfs/dbraw/zinc/14/56/45/461145645.db2.gz HBDPLKWDKCBXIL-FDQGKXFDSA-N 2 0 338.879 3.067 20 0 EGADRP C[NH+](CCCCC[N@@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662268101 461153176 /nfs/dbraw/zinc/15/31/76/461153176.db2.gz PCTJCUUTNHFVJX-UHFFFAOYSA-N 2 0 326.575 3.367 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cc(-c3cccs3)on2)C1 ZINC000652361716 461154249 /nfs/dbraw/zinc/15/42/49/461154249.db2.gz NCZZHABUBZZORO-VNQPRFMTSA-N 2 0 347.484 3.264 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362749 461155663 /nfs/dbraw/zinc/15/56/63/461155663.db2.gz OCSJUWRBTFXXAB-HYVNUMGLSA-N 2 0 347.484 3.264 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2Cl)C1 ZINC000652361087 461155814 /nfs/dbraw/zinc/15/58/14/461155814.db2.gz YDGZULPWGBNCIW-JLZZUVOBSA-N 2 0 326.843 3.340 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363444 461158110 /nfs/dbraw/zinc/15/81/10/461158110.db2.gz DZGDMRKWAYZWIW-QGTPRVQTSA-N 2 0 338.879 3.209 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000646270709 461163773 /nfs/dbraw/zinc/16/37/73/461163773.db2.gz RQRXESUVYUMWFU-HXUWFJFHSA-N 2 0 344.499 3.018 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000662286615 461166073 /nfs/dbraw/zinc/16/60/73/461166073.db2.gz SAAIDTIJBVLTBK-LXZKKBNFSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662291454 461167292 /nfs/dbraw/zinc/16/72/92/461167292.db2.gz SRPZMCSHQOCQHJ-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290136 461167589 /nfs/dbraw/zinc/16/75/89/461167589.db2.gz KZHQKGZTPPCJAU-HOCLYGCPSA-N 2 0 349.906 3.379 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290879 461167912 /nfs/dbraw/zinc/16/79/12/461167912.db2.gz MLHUVZIJKGNQRH-WMZOPIPTSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662291456 461170498 /nfs/dbraw/zinc/17/04/98/461170498.db2.gz SRPZMCSHQOCQHJ-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294747 461172239 /nfs/dbraw/zinc/17/22/39/461172239.db2.gz MHUAEAPWQUEUDB-IBGZPJMESA-N 2 0 343.515 3.208 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2nc(CCc3ccccc3)no2)[C@@H]1CCC[NH3+] ZINC000662313307 461185703 /nfs/dbraw/zinc/18/57/03/461185703.db2.gz KFQBIZQJCKJYIW-SJLPKXTDSA-N 2 0 342.487 3.194 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)[C@@H]1CCC[NH3+] ZINC000662313231 461186386 /nfs/dbraw/zinc/18/63/86/461186386.db2.gz HIYBCKJRVXIHMK-YLJYHZDGSA-N 2 0 343.515 3.017 20 0 EGADRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](c3nccn3C)C3CC3)C2)[nH+]1 ZINC000638008339 461194009 /nfs/dbraw/zinc/19/40/09/461194009.db2.gz YYIKUGLOJVPXAG-QAPCUYQASA-N 2 0 325.460 3.009 20 0 EGADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(C[NH+]2CCCC2)c1 ZINC000655352892 461202446 /nfs/dbraw/zinc/20/24/46/461202446.db2.gz QGSKMRHIWYNQHI-PMACEKPBSA-N 2 0 341.499 3.029 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000662357046 461206517 /nfs/dbraw/zinc/20/65/17/461206517.db2.gz YGVQYLMIUUWFOQ-NRFANRHFSA-N 2 0 349.478 3.133 20 0 EGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc2c(c1)C[NH2+]C2 ZINC000646408837 461242582 /nfs/dbraw/zinc/24/25/82/461242582.db2.gz MGTFDVJUXVPCEV-OAQYLSRUSA-N 2 0 349.478 3.247 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000662444936 461245865 /nfs/dbraw/zinc/24/58/65/461245865.db2.gz NRLKCOGCQPZDDR-IRXDYDNUSA-N 2 0 333.520 3.243 20 0 EGADRP CC(C)O[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](OC(C)C)C2)C1 ZINC000649702461 461287118 /nfs/dbraw/zinc/28/71/18/461287118.db2.gz DXTDHGJYTRJYJE-RTBURBONSA-N 2 0 326.525 3.155 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662691036 461346917 /nfs/dbraw/zinc/34/69/17/461346917.db2.gz QPNLQFFQNWHOFN-GOSISDBHSA-N 2 0 343.515 3.012 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000662705127 461351691 /nfs/dbraw/zinc/35/16/91/461351691.db2.gz SKSOSGSDQRTOGA-OAQYLSRUSA-N 2 0 327.516 3.343 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](OC)C2CCOCC2)cc1 ZINC000638310716 461360211 /nfs/dbraw/zinc/36/02/11/461360211.db2.gz ZPTIKKITXHBBEU-HXUWFJFHSA-N 2 0 334.504 3.060 20 0 EGADRP C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000655694096 461368207 /nfs/dbraw/zinc/36/82/07/461368207.db2.gz ZLPPHKUNAFUKLW-HXUWFJFHSA-N 2 0 349.563 3.018 20 0 EGADRP CC(C)c1ccc(OCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638400164 461408682 /nfs/dbraw/zinc/40/86/82/461408682.db2.gz WBCPLKYSKFYVEO-UHFFFAOYSA-N 2 0 334.504 3.014 20 0 EGADRP C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000655762094 461429778 /nfs/dbraw/zinc/42/97/78/461429778.db2.gz AKUBGAALYDNCLK-RTWAWAEBSA-N 2 0 349.563 3.017 20 0 EGADRP C[NH+](C)CCCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638451332 461435684 /nfs/dbraw/zinc/43/56/84/461435684.db2.gz NCKTYFQETNQCSS-UHFFFAOYSA-N 2 0 326.238 3.022 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(CC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)CC1 ZINC000659863145 461465972 /nfs/dbraw/zinc/46/59/72/461465972.db2.gz GPSQAPXCXPTHCK-NJDAHSKKSA-N 2 0 335.580 3.408 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000631040008 461491759 /nfs/dbraw/zinc/49/17/59/461491759.db2.gz FGNCUHJULJYHLU-BQYQJAHWSA-N 2 0 329.532 3.242 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@](C)([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201089 461556178 /nfs/dbraw/zinc/55/61/78/461556178.db2.gz ZSTZHZUWBUHESP-FQEVSTJZSA-N 2 0 331.504 3.021 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000631113660 461562141 /nfs/dbraw/zinc/56/21/41/461562141.db2.gz JIJKAMCIOIVQLP-ROUKRRSUSA-N 2 0 329.532 3.241 20 0 EGADRP Cn1c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc2ccccc21 ZINC000638751413 461562562 /nfs/dbraw/zinc/56/25/62/461562562.db2.gz QQVZJOVHFLIQPK-LEWJYISDSA-N 2 0 341.499 3.036 20 0 EGADRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(-c2cccs2)n1 ZINC000663345914 461574988 /nfs/dbraw/zinc/57/49/88/461574988.db2.gz OSAKIWLQMNSAGX-MRXNPFEDSA-N 2 0 344.528 3.360 20 0 EGADRP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347435 461576445 /nfs/dbraw/zinc/57/64/45/461576445.db2.gz KLTXYNFAXIORJK-HNNXBMFYSA-N 2 0 330.501 3.350 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2cc1OCC ZINC000643034041 461594086 /nfs/dbraw/zinc/59/40/86/461594086.db2.gz TUWQYIKQCSPMFW-PBHICJAKSA-N 2 0 341.455 3.220 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000647282153 461607313 /nfs/dbraw/zinc/60/73/13/461607313.db2.gz CPGWADKZJQAPJT-FQEVSTJZSA-N 2 0 347.547 3.398 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000647282154 461608855 /nfs/dbraw/zinc/60/88/55/461608855.db2.gz CPGWADKZJQAPJT-HXUWFJFHSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)O1 ZINC000666429373 461622196 /nfs/dbraw/zinc/62/21/96/461622196.db2.gz QWHYQVRJQRBOIB-LMMKCTJWSA-N 2 0 332.488 3.064 20 0 EGADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663464647 461653545 /nfs/dbraw/zinc/65/35/45/461653545.db2.gz FOAIDVYTNSVGBB-PKOBYXMFSA-N 2 0 328.500 3.264 20 0 EGADRP OCC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000643296931 461672349 /nfs/dbraw/zinc/67/23/49/461672349.db2.gz HEHWPKNGUJMBFQ-LJQANCHMSA-N 2 0 346.515 3.146 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000643344545 461698213 /nfs/dbraw/zinc/69/82/13/461698213.db2.gz OYYVXPPPZPQATG-CQSZACIVSA-N 2 0 341.902 3.026 20 0 EGADRP c1ccc2c(c1)onc2CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000653587111 461742338 /nfs/dbraw/zinc/74/23/38/461742338.db2.gz PPMWFIGDUMEGLF-KXBFYZLASA-N 2 0 325.456 3.319 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521750 461752553 /nfs/dbraw/zinc/75/25/53/461752553.db2.gz BCAYCCZZDTYMCR-NVXWUHKLSA-N 2 0 332.492 3.353 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543365 461757571 /nfs/dbraw/zinc/75/75/71/461757571.db2.gz LWIOYUUOJZUVKD-LEWJYISDSA-N 2 0 338.499 3.143 20 0 EGADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543663 461758813 /nfs/dbraw/zinc/75/88/13/461758813.db2.gz QYDICFSGNWZTKV-HUUCEWRRSA-N 2 0 332.879 3.199 20 0 EGADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543683 461759668 /nfs/dbraw/zinc/75/96/68/461759668.db2.gz RCSMOGAHYKIAFH-HUUCEWRRSA-N 2 0 330.501 3.350 20 0 EGADRP c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647543607 461759871 /nfs/dbraw/zinc/75/98/71/461759871.db2.gz QEIISEANHJVYRY-VQTJNVASSA-N 2 0 336.483 3.355 20 0 EGADRP CC1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cccs2)CC1 ZINC000647550492 461762437 /nfs/dbraw/zinc/76/24/37/461762437.db2.gz UDRYCMOMMOPDTQ-NCXUSEDFSA-N 2 0 347.572 3.499 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000647549786 461763169 /nfs/dbraw/zinc/76/31/69/461763169.db2.gz QLJBMWPWMKXMPN-YZLZLFLDSA-N 2 0 330.472 3.133 20 0 EGADRP Fc1cc2c(c(F)c1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000656539731 461778725 /nfs/dbraw/zinc/77/87/25/461778725.db2.gz PGIKNMAAKIIVLD-INIZCTEOSA-N 2 0 331.366 3.052 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccccc3OCCCCO)C2)CC1 ZINC000639178179 461785378 /nfs/dbraw/zinc/78/53/78/461785378.db2.gz ZVZUXZOUDNIYMX-LJQANCHMSA-N 2 0 346.515 3.002 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC000647784604 461833808 /nfs/dbraw/zinc/83/38/08/461833808.db2.gz ZOEOLYYGCLASDN-QLFBSQMISA-N 2 0 340.414 3.164 20 0 EGADRP Clc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCOCC2)c1 ZINC000647786719 461835009 /nfs/dbraw/zinc/83/50/09/461835009.db2.gz XIWUTCCLODKROD-GPMSIDNRSA-N 2 0 348.918 3.366 20 0 EGADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788085 461836093 /nfs/dbraw/zinc/83/60/93/461836093.db2.gz BZJFUESRTHLZPZ-YESZJQIVSA-N 2 0 342.405 3.243 20 0 EGADRP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647792028 461836477 /nfs/dbraw/zinc/83/64/77/461836477.db2.gz ROTSDWVXFWFAIY-PXCRPINLSA-N 2 0 328.500 3.448 20 0 EGADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000647790021 461837359 /nfs/dbraw/zinc/83/73/59/461837359.db2.gz QAGRVEDBSSGOJT-FGTMMUONSA-N 2 0 325.456 3.170 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OC(C)C ZINC000647795194 461838638 /nfs/dbraw/zinc/83/86/38/461838638.db2.gz JPPBTOQSBMZTFG-YZLZLFLDSA-N 2 0 332.488 3.139 20 0 EGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666858067 461838633 /nfs/dbraw/zinc/83/86/33/461838633.db2.gz VUBVDFDYCJZYBY-OAHLLOKOSA-N 2 0 338.377 3.327 20 0 EGADRP Clc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952048 461884749 /nfs/dbraw/zinc/88/47/49/461884749.db2.gz DFVBCPNBZJGMRZ-CYBMUJFWSA-N 2 0 329.669 3.334 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950724 461885268 /nfs/dbraw/zinc/88/52/68/461885268.db2.gz CKEWPFJBCDBNIN-MRXNPFEDSA-N 2 0 338.879 3.369 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954038 461886285 /nfs/dbraw/zinc/88/62/85/461886285.db2.gz OKANOGYOOKTZGM-ABAIWWIYSA-N 2 0 341.268 3.251 20 0 EGADRP CC[C@H]1C[N@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC[C@H]1[NH3+] ZINC000647937858 461894784 /nfs/dbraw/zinc/89/47/84/461894784.db2.gz DDTOQSNYTFDDHG-WMLDXEAASA-N 2 0 346.450 3.176 20 0 EGADRP COc1cc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656785954 461895530 /nfs/dbraw/zinc/89/55/30/461895530.db2.gz OFNJPXJNSMRMSZ-KRWDZBQOSA-N 2 0 332.488 3.224 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785927 461896437 /nfs/dbraw/zinc/89/64/37/461896437.db2.gz NJAXEJVLXYYQIL-QGZVFWFLSA-N 2 0 342.462 3.427 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647938870 461896677 /nfs/dbraw/zinc/89/66/77/461896677.db2.gz WINZAFPRCHJZBM-FXAWDEMLSA-N 2 0 337.467 3.498 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000650706915 461899713 /nfs/dbraw/zinc/89/97/13/461899713.db2.gz VNKQAWMJSSAPSA-SCTDSRPQSA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000650706541 461900284 /nfs/dbraw/zinc/90/02/84/461900284.db2.gz NDHBBRMYKNFGKR-JGGQBBKZSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3sc(Br)cc3C2)CC[NH2+]1 ZINC000656791031 461901172 /nfs/dbraw/zinc/90/11/72/461901172.db2.gz CZJRHFZDXOSIFD-MNOVXSKESA-N 2 0 329.307 3.257 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000650707633 461901281 /nfs/dbraw/zinc/90/12/81/461901281.db2.gz JZQOMZQNYANUPK-IAOVAPTHSA-N 2 0 326.843 3.197 20 0 EGADRP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708189 461901925 /nfs/dbraw/zinc/90/19/25/461901925.db2.gz VBBHOGWDDTWZGT-KKUMJFAQSA-N 2 0 337.533 3.159 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000666995717 461903469 /nfs/dbraw/zinc/90/34/69/461903469.db2.gz XPYUHTVWSZPSEM-NVXWUHKLSA-N 2 0 329.488 3.285 20 0 EGADRP COCCC1(C)C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656795354 461904468 /nfs/dbraw/zinc/90/44/68/461904468.db2.gz VUVIRXJVGGJMOF-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711739 461905392 /nfs/dbraw/zinc/90/53/92/461905392.db2.gz BWOPQQBNARMBRD-IFXJQAMLSA-N 2 0 330.451 3.269 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717864 461909058 /nfs/dbraw/zinc/90/90/58/461909058.db2.gz PEDNYILXAHJRRH-CYBMUJFWSA-N 2 0 330.403 3.124 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717865 461909532 /nfs/dbraw/zinc/90/95/32/461909532.db2.gz PEDNYILXAHJRRH-ZDUSSCGKSA-N 2 0 330.403 3.124 20 0 EGADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717721 461909710 /nfs/dbraw/zinc/90/97/10/461909710.db2.gz KIRVLDGDKJWXME-ZDUSSCGKSA-N 2 0 326.419 3.272 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OC(F)F ZINC000650718862 461911492 /nfs/dbraw/zinc/91/14/92/461911492.db2.gz YMOYEPGRZKJDHN-UHFFFAOYSA-N 2 0 340.345 3.184 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650723037 461914281 /nfs/dbraw/zinc/91/42/81/461914281.db2.gz GOIPAUMJGISINV-VUBSUSDNSA-N 2 0 332.488 3.160 20 0 EGADRP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723571 461916118 /nfs/dbraw/zinc/91/61/18/461916118.db2.gz QIEVEBUDCWCJML-BMFZPTHFSA-N 2 0 337.533 3.301 20 0 EGADRP COc1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cc2c1 ZINC000650723877 461916936 /nfs/dbraw/zinc/91/69/36/461916936.db2.gz VHYQIZIWZCWITN-CVAIRZPRSA-N 2 0 344.455 3.302 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976564 461918962 /nfs/dbraw/zinc/91/89/62/461918962.db2.gz QDVXFRGERBTJDP-GBESFXJTSA-N 2 0 343.515 3.342 20 0 EGADRP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647977885 461920662 /nfs/dbraw/zinc/92/06/62/461920662.db2.gz JLGAOPBWLNKPGZ-IAGOWNOFSA-N 2 0 342.462 3.223 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Cl ZINC000650763832 461941454 /nfs/dbraw/zinc/94/14/54/461941454.db2.gz KICQJFZYALEVDX-LBPRGKRZSA-N 2 0 326.868 3.398 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000644563150 461985959 /nfs/dbraw/zinc/98/59/59/461985959.db2.gz NVAWEPSLPBYCBI-QFBILLFUSA-N 2 0 348.531 3.044 20 0 EGADRP CCCOc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(C)c1 ZINC000657304298 462031024 /nfs/dbraw/zinc/03/10/24/462031024.db2.gz YEAMTGSPSWVAKJ-OAQYLSRUSA-N 2 0 347.547 3.145 20 0 EGADRP CCc1cccc2cc(C[NH2+]C[C@@H](C(C)C)N3CC[NH+](C)CC3)oc21 ZINC000657304536 462031843 /nfs/dbraw/zinc/03/18/43/462031843.db2.gz ZYPUEJZQSYMSPF-FQEVSTJZSA-N 2 0 343.515 3.357 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000657332822 462052815 /nfs/dbraw/zinc/05/28/15/462052815.db2.gz QKRZLBPSNIDHLW-UHFFFAOYSA-N 2 0 326.488 3.428 20 0 EGADRP CCc1cccc2cc(C[NH2+]CCCN3CCC[N@H+](C)CC3)oc21 ZINC000657349928 462064151 /nfs/dbraw/zinc/06/41/51/462064151.db2.gz OVBMOGQUJASKCS-UHFFFAOYSA-N 2 0 329.488 3.112 20 0 EGADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000657366664 462074700 /nfs/dbraw/zinc/07/47/00/462074700.db2.gz JEOIHAPJHHUZIX-QZTJIDSGSA-N 2 0 334.504 3.373 20 0 EGADRP c1n[nH]cc1CC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639727525 462078568 /nfs/dbraw/zinc/07/85/68/462078568.db2.gz VOHRYMLDVVQYDT-UHFFFAOYSA-N 2 0 338.499 3.330 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000657376151 462080738 /nfs/dbraw/zinc/08/07/38/462080738.db2.gz HFDURIHPKGJBMK-QGZVFWFLSA-N 2 0 334.504 3.312 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000657563310 462181340 /nfs/dbraw/zinc/18/13/40/462181340.db2.gz LNLRTRVKUQRTHS-HXUWFJFHSA-N 2 0 329.532 3.156 20 0 EGADRP CCc1ncc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657613190 462203676 /nfs/dbraw/zinc/20/36/76/462203676.db2.gz HSQOUULLMIRURC-UHFFFAOYSA-N 2 0 330.501 3.102 20 0 EGADRP COCc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000657613841 462204001 /nfs/dbraw/zinc/20/40/01/462204001.db2.gz STRNZXIIDPFYBT-UHFFFAOYSA-N 2 0 339.483 3.230 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667672509 462206144 /nfs/dbraw/zinc/20/61/44/462206144.db2.gz VCGNVSSSWPAPMK-OAQYLSRUSA-N 2 0 346.515 3.408 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667723888 462231036 /nfs/dbraw/zinc/23/10/36/462231036.db2.gz MIYSCENWXHLQTL-UHFFFAOYSA-N 2 0 340.471 3.177 20 0 EGADRP C[C@@H](CCNC(=O)Nc1cccc(C[NH3+])c1)[N@H+](C)Cc1ccccc1 ZINC000667725198 462232246 /nfs/dbraw/zinc/23/22/46/462232246.db2.gz AUZXEXNGRYGTMK-INIZCTEOSA-N 2 0 340.471 3.177 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1 ZINC000657693898 462232642 /nfs/dbraw/zinc/23/26/42/462232642.db2.gz QGAZFOHYUKBWAR-HXUWFJFHSA-N 2 0 326.440 3.110 20 0 EGADRP Cc1cccnc1CCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648732444 462249690 /nfs/dbraw/zinc/24/96/90/462249690.db2.gz CDSLGEMQOUHRBU-UHFFFAOYSA-N 2 0 327.472 3.053 20 0 EGADRP OC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000657772789 462259138 /nfs/dbraw/zinc/25/91/38/462259138.db2.gz IIOYQFTYFXLUEG-JMSVASOKSA-N 2 0 329.271 3.243 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(COC[C@@H]2CCCO2)c1 ZINC000657802632 462275329 /nfs/dbraw/zinc/27/53/29/462275329.db2.gz COVNHTKVTNLAAP-NJYVYQBISA-N 2 0 344.499 3.099 20 0 EGADRP CCN(CC)c1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657812918 462279254 /nfs/dbraw/zinc/27/92/54/462279254.db2.gz WYLWMQBXMCUNBT-UHFFFAOYSA-N 2 0 336.549 3.201 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813199 462279270 /nfs/dbraw/zinc/27/92/70/462279270.db2.gz ZXMAVTDPBLMIDT-INIZCTEOSA-N 2 0 329.488 3.115 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813625 462279412 /nfs/dbraw/zinc/27/94/12/462279412.db2.gz UZCHUUYIVSXDHP-UHFFFAOYSA-N 2 0 346.906 3.438 20 0 EGADRP COc1cc(C)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000657813499 462279720 /nfs/dbraw/zinc/27/97/20/462279720.db2.gz PPPRHYUAYTWNPF-UHFFFAOYSA-N 2 0 332.488 3.224 20 0 EGADRP Cc1ccccc1-n1nccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812482 462279799 /nfs/dbraw/zinc/27/97/99/462279799.db2.gz DIMYBMHEJRHYTJ-UHFFFAOYSA-N 2 0 338.499 3.392 20 0 EGADRP CCOC1CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000657868497 462303352 /nfs/dbraw/zinc/30/33/52/462303352.db2.gz UMNVERPVUXKOAG-MWXLCCTBSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc2ccncc2s1 ZINC000657878362 462305387 /nfs/dbraw/zinc/30/53/87/462305387.db2.gz GYFOKKIWNITYLA-ZBFHGGJFSA-N 2 0 333.501 3.184 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000657885281 462306554 /nfs/dbraw/zinc/30/65/54/462306554.db2.gz DBSQGXVDWKHTPH-ZWKOTPCHSA-N 2 0 332.532 3.423 20 0 EGADRP C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000651752818 462326174 /nfs/dbraw/zinc/32/61/74/462326174.db2.gz VQQQFTSVUAKWNR-LPHOPBHVSA-N 2 0 331.504 3.036 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000667945111 462338036 /nfs/dbraw/zinc/33/80/36/462338036.db2.gz IBYVYKXDBLZHRU-SFHVURJKSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240522 462365298 /nfs/dbraw/zinc/36/52/98/462365298.db2.gz MXHBITGVBOKXPR-GHTZIAJQSA-N 3 0 344.547 3.194 20 0 EGADRP Cc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070045 462367126 /nfs/dbraw/zinc/36/71/26/462367126.db2.gz UASOWWLPDAQASC-OAQYLSRUSA-N 2 0 328.500 3.463 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000665283884 462385075 /nfs/dbraw/zinc/38/50/75/462385075.db2.gz WRVHQVQDNMFFEZ-HMXCVIKNSA-N 2 0 344.499 3.427 20 0 EGADRP c1ccc(CN2CCCO[C@H](C[N@@H+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290029 462387299 /nfs/dbraw/zinc/38/72/99/462387299.db2.gz GBRMBLVVAJEPHF-SFTDATJTSA-N 2 0 328.500 3.400 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000658165290 462415229 /nfs/dbraw/zinc/41/52/29/462415229.db2.gz IFUGTBBJMGWSBW-CQSZACIVSA-N 2 0 330.501 3.409 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150997 462452247 /nfs/dbraw/zinc/45/22/47/462452247.db2.gz GFBRHCHQXMHZOG-HOCLYGCPSA-N 2 0 336.476 3.095 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649288374 462467798 /nfs/dbraw/zinc/46/77/98/462467798.db2.gz MZFLJZDNZLNEAI-MRXNPFEDSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000649288486 462468320 /nfs/dbraw/zinc/46/83/20/462468320.db2.gz VAKMXTMDRFUECQ-MRXNPFEDSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649294976 462469565 /nfs/dbraw/zinc/46/95/65/462469565.db2.gz ZYVXHIOEPBZEEQ-RHSMWYFYSA-N 2 0 337.895 3.111 20 0 EGADRP CO[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000658318055 462474865 /nfs/dbraw/zinc/47/48/65/462474865.db2.gz YAFGTLJQYKRNBH-UZLBHIALSA-N 2 0 334.504 3.483 20 0 EGADRP [NH3+]C1(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000645961319 462480482 /nfs/dbraw/zinc/48/04/82/462480482.db2.gz MRPLKKZHRYYWDB-QGZVFWFLSA-N 2 0 349.906 3.082 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000658354077 462487048 /nfs/dbraw/zinc/48/70/48/462487048.db2.gz WRBFEZGRPGCCFY-MOPGFXCFSA-N 2 0 330.520 3.158 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[C@H](C)[NH3+] ZINC000649378512 462492632 /nfs/dbraw/zinc/49/26/32/462492632.db2.gz CHDLXXIVLIMJPZ-AOIWGVFYSA-N 2 0 337.552 3.109 20 0 EGADRP c1ccc(C[N@H+]2CCN(C[C@H]3CC[NH2+]C3)CC23CCCCC3)cc1 ZINC000649414161 462502875 /nfs/dbraw/zinc/50/28/75/462502875.db2.gz JXSJJFYSSCAGEK-FQEVSTJZSA-N 2 0 327.516 3.117 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000187994084 534187992 /nfs/dbraw/zinc/18/79/92/534187992.db2.gz GCEKKLMIBNLNPS-NJYVYQBISA-N 2 0 330.516 3.323 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132440016 534428334 /nfs/dbraw/zinc/42/83/34/534428334.db2.gz VCFPVXZJVNWEOD-WOJBJXKFSA-N 2 0 345.531 3.070 20 0 EGADRP Brc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000166312062 526639820 /nfs/dbraw/zinc/63/98/20/526639820.db2.gz QFZGMDBEHYULIN-NWDGAFQWSA-N 2 0 329.307 3.270 20 0 EGADRP [NH3+]Cc1cc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)co1 ZINC000188135091 527246221 /nfs/dbraw/zinc/24/62/21/527246221.db2.gz CZIOSWVQBVMYAZ-UHFFFAOYSA-N 2 0 341.455 3.044 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000171479017 527859664 /nfs/dbraw/zinc/85/96/64/527859664.db2.gz ZLOSQDCFSZOVRN-GOSISDBHSA-N 2 0 331.504 3.059 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183706223 528038026 /nfs/dbraw/zinc/03/80/26/528038026.db2.gz FBIAWVDMIWRSAL-UYAOXDASSA-N 2 0 345.462 3.257 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184223360 528192764 /nfs/dbraw/zinc/19/27/64/528192764.db2.gz GEVOYMPVFPPFML-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP CC(C)C[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000132412182 528571395 /nfs/dbraw/zinc/57/13/95/528571395.db2.gz MGCZITPIJAQGIN-VQTJNVASSA-N 2 0 332.536 3.030 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154509705 529143370 /nfs/dbraw/zinc/14/33/70/529143370.db2.gz NJYXEYWASXLQRC-RTBURBONSA-N 2 0 347.547 3.195 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000154468222 529143536 /nfs/dbraw/zinc/14/35/36/529143536.db2.gz XEHAXGLJTBGAMI-CQSZACIVSA-N 2 0 329.941 3.470 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187662680 529143797 /nfs/dbraw/zinc/14/37/97/529143797.db2.gz WIDJPYHXXISSGJ-QGZVFWFLSA-N 2 0 337.939 3.451 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000154281203 529144830 /nfs/dbraw/zinc/14/48/30/529144830.db2.gz NKUPQIYYBGRTAE-IBGZPJMESA-N 2 0 347.547 3.400 20 0 EGADRP CC(C)[NH+](CCCNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)C(C)C ZINC000361470085 535054605 /nfs/dbraw/zinc/05/46/05/535054605.db2.gz QAVZQBUZBOUXLD-SFHVURJKSA-N 2 0 340.556 3.059 20 0 EGADRP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000089514026 546645250 /nfs/dbraw/zinc/64/52/50/546645250.db2.gz DXCCWHDZHLZOSS-HZPDHXFCSA-N 2 0 331.504 3.491 20 0 EGADRP CC1(C)C[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000090169233 546654809 /nfs/dbraw/zinc/65/48/09/546654809.db2.gz LPWXMXJKYPDGIJ-OALUTQOASA-N 2 0 327.516 3.113 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000092218699 546671461 /nfs/dbraw/zinc/67/14/61/546671461.db2.gz ZRQADDQLGYUPGP-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)C1CC[NH+](C)CC1 ZINC000122520411 546733861 /nfs/dbraw/zinc/73/38/61/546733861.db2.gz DFFXKLGYACXOEX-OAHLLOKOSA-N 2 0 329.488 3.245 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000154872389 546895827 /nfs/dbraw/zinc/89/58/27/546895827.db2.gz LSXVXJJFVZIJAZ-UTKZUKDTSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000158015019 546924883 /nfs/dbraw/zinc/92/48/83/546924883.db2.gz CDBMZGSCRNABNK-GJZGRUSLSA-N 2 0 337.458 3.111 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166626950 546989232 /nfs/dbraw/zinc/98/92/32/546989232.db2.gz YHXAFNJHSSXPJX-JRGCBEDISA-N 2 0 327.516 3.428 20 0 EGADRP O=C(CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000246433986 547279867 /nfs/dbraw/zinc/27/98/67/547279867.db2.gz INVPGEHUJZZBHI-SJORKVTESA-N 2 0 335.879 3.275 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000248449315 547299134 /nfs/dbraw/zinc/29/91/34/547299134.db2.gz ONEMDZNSHVHFDO-CTNGQTDRSA-N 2 0 340.442 3.169 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000290224489 547410144 /nfs/dbraw/zinc/41/01/44/547410144.db2.gz IEPATENRNVYOCO-LJQANCHMSA-N 2 0 343.446 3.328 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000312010939 547462694 /nfs/dbraw/zinc/46/26/94/547462694.db2.gz WITOZPDCPJPGNU-ZDUSSCGKSA-N 2 0 325.294 3.312 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339066120 547568465 /nfs/dbraw/zinc/56/84/65/547568465.db2.gz BUJHVWVGJQQOPQ-PMACEKPBSA-N 3 0 345.531 3.124 20 0 EGADRP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339065827 547569145 /nfs/dbraw/zinc/56/91/45/547569145.db2.gz CPYVFKWFAXGZDB-ZWOKBUDYSA-N 2 0 330.472 3.371 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000339347003 547575349 /nfs/dbraw/zinc/57/53/49/547575349.db2.gz SRQGQYXLNIBFCB-SFHVURJKSA-N 2 0 345.531 3.278 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCc1ccccc1)C1CC[NH+](C)CC1 ZINC000671765607 548356445 /nfs/dbraw/zinc/35/64/45/548356445.db2.gz KUOFGFBFECRAPV-KRWDZBQOSA-N 2 0 339.483 3.481 20 0 EGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCCO2 ZINC000675742460 548971358 /nfs/dbraw/zinc/97/13/58/548971358.db2.gz RBRACDNYMOVIDC-IBGZPJMESA-N 2 0 345.531 3.133 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742575 548971476 /nfs/dbraw/zinc/97/14/76/548971476.db2.gz SMADGCMDQYSDII-KXBFYZLASA-N 2 0 333.495 3.065 20 0 EGADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000675742427 548971883 /nfs/dbraw/zinc/97/18/83/548971883.db2.gz PLYVSHRFMHBQSY-KRWDZBQOSA-N 2 0 325.447 3.032 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)C[C@@H](C)O1 ZINC000677129139 549214304 /nfs/dbraw/zinc/21/43/04/549214304.db2.gz GZLBUEYFACEPOG-PJIJBLCYSA-N 2 0 338.442 3.431 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678285230 549460342 /nfs/dbraw/zinc/46/03/42/549460342.db2.gz QGOYRFYXZHCDTK-SFHVURJKSA-N 2 0 327.472 3.168 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000678585903 549524597 /nfs/dbraw/zinc/52/45/97/549524597.db2.gz PXQMUDIZQRDYMU-QMMLZNLJSA-N 2 0 346.515 3.027 20 0 EGADRP C[C@H](CC1CCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000678589931 549526064 /nfs/dbraw/zinc/52/60/64/549526064.db2.gz PFKPKMIBUBRYDB-QGZVFWFLSA-N 2 0 343.515 3.181 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679143051 549643727 /nfs/dbraw/zinc/64/37/27/549643727.db2.gz OWVGQXMQGDCXDV-WMZOPIPTSA-N 2 0 333.545 3.438 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000679189067 549652872 /nfs/dbraw/zinc/65/28/72/549652872.db2.gz RNSKHAPWZKJHOY-INIZCTEOSA-N 2 0 325.456 3.017 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000679387289 549702045 /nfs/dbraw/zinc/70/20/45/549702045.db2.gz XDMCUJCWKXFESF-HXUWFJFHSA-N 2 0 345.506 3.377 20 0 EGADRP C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680001000 549803846 /nfs/dbraw/zinc/80/38/46/549803846.db2.gz SLSVPGPZDBKTAY-QGZVFWFLSA-N 2 0 340.467 3.410 20 0 EGADRP Cc1csc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000681387038 549990128 /nfs/dbraw/zinc/99/01/28/549990128.db2.gz CVFLHMQVHMKMML-FUHWJXTLSA-N 2 0 329.513 3.494 20 0 EGADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682408933 550095741 /nfs/dbraw/zinc/09/57/41/550095741.db2.gz DKUGEOMSTKUKCP-OPYAIIAOSA-N 2 0 346.515 3.143 20 0 EGADRP COCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[C@H](C)C1 ZINC000683001549 550176729 /nfs/dbraw/zinc/17/67/29/550176729.db2.gz UBWRKTOQQZRGAL-PKOBYXMFSA-N 2 0 334.504 3.264 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000683341143 550220043 /nfs/dbraw/zinc/22/00/43/550220043.db2.gz GTZUZBCJEFKLPG-UHFFFAOYSA-N 2 0 336.332 3.171 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683771807 550259906 /nfs/dbraw/zinc/25/99/06/550259906.db2.gz OZLLJGVCMYZXDG-SFTDATJTSA-N 2 0 339.483 3.092 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)CC2 ZINC000684554480 550342621 /nfs/dbraw/zinc/34/26/21/550342621.db2.gz FBEPQVQMJRLJFA-JFUPDXTOSA-N 2 0 332.488 3.401 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000684969398 550390019 /nfs/dbraw/zinc/39/00/19/550390019.db2.gz WFELJNNGAYWUOA-IBGZPJMESA-N 2 0 332.488 3.162 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000685849564 550448064 /nfs/dbraw/zinc/44/80/64/550448064.db2.gz NBUFWQXWODNXEM-MOPGFXCFSA-N 2 0 332.488 3.016 20 0 EGADRP c1ccc(C[NH+]2CCCC2)c(CNc2nccc(N3CCCC3)n2)c1 ZINC000730106542 574920177 /nfs/dbraw/zinc/92/01/77/574920177.db2.gz JOUYMAAUNCKRLI-UHFFFAOYSA-N 2 0 337.471 3.285 20 0 EGADRP C[NH2+]CCc1ccccc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000328194284 1297253235 /nfs/dbraw/zinc/25/32/35/1297253235.db2.gz OQLBOOBRNDCDFD-UHFFFAOYSA-N 2 0 337.467 3.297 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687948731 1298121318 /nfs/dbraw/zinc/12/13/18/1298121318.db2.gz LLMJOWNQTBAFNR-MRXNPFEDSA-N 2 0 341.524 3.100 20 0 EGADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[NH2+][C@H]21 ZINC000693674446 1298150809 /nfs/dbraw/zinc/15/08/09/1298150809.db2.gz LGBWDDGZLGTAKA-PWRODBHTSA-N 3 0 341.543 3.265 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000877767462 1299544808 /nfs/dbraw/zinc/54/48/08/1299544808.db2.gz KFCCWKSWEKNJTK-ZWKOTPCHSA-N 2 0 346.494 3.006 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccs3)cc2)CC1 ZINC000061069981 1291959621 /nfs/dbraw/zinc/95/96/21/1291959621.db2.gz ISYYBKQQXIKNQA-UHFFFAOYSA-N 2 0 329.513 3.175 20 0 EGADRP c1ncn(-c2ccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc2)n1 ZINC000063319740 1292006562 /nfs/dbraw/zinc/00/65/62/1292006562.db2.gz YIRCAUGOOPBYRZ-UHFFFAOYSA-N 2 0 339.487 3.012 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000066586954 1292124046 /nfs/dbraw/zinc/12/40/46/1292124046.db2.gz AUZKTZCCDYOZGU-UHFFFAOYSA-N 2 0 343.540 3.348 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000073106293 1292306262 /nfs/dbraw/zinc/30/62/62/1292306262.db2.gz QFKAGKUWMTZWBO-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000827864315 1292390236 /nfs/dbraw/zinc/39/02/36/1292390236.db2.gz UVXZBWJWZHCAQB-HKUYNNGSSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000829237668 1292555952 /nfs/dbraw/zinc/55/59/52/1292555952.db2.gz ZJMNGFULFDVQQK-IHPCNDPISA-N 2 0 345.531 3.400 20 0 EGADRP CCC(CC)(CNC(=O)C[C@@H]([NH3+])C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000829237432 1292556430 /nfs/dbraw/zinc/55/64/30/1292556430.db2.gz YSVDZRLKRIJRKL-MAUKXSAKSA-N 2 0 331.504 3.140 20 0 EGADRP Cc1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1C ZINC000080373693 1292597636 /nfs/dbraw/zinc/59/76/36/1292597636.db2.gz SYJMVFJTXKSEDS-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CCOC(=O)N1CCC([NH2+]C[C@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000089137583 1292757333 /nfs/dbraw/zinc/75/73/33/1292757333.db2.gz QNUKOARHGXMWPK-GOSISDBHSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@]2(O)CCc3ccccc32)CC1 ZINC000090779892 1292805600 /nfs/dbraw/zinc/80/56/00/1292805600.db2.gz KNKYUFRCXHJWAC-ZPMCFJSWSA-N 2 0 342.527 3.453 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)N1CC[NH+](C)CC1 ZINC000105465403 1293039012 /nfs/dbraw/zinc/03/90/12/1293039012.db2.gz QZGKFFBKOYBJAY-OAHLLOKOSA-N 2 0 347.503 3.280 20 0 EGADRP C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000106486044 1293051088 /nfs/dbraw/zinc/05/10/88/1293051088.db2.gz NHWUDWSSBJHYQQ-HNNXBMFYSA-N 2 0 347.890 3.326 20 0 EGADRP CC1([NH+]2CCC2)CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000834788352 1293149090 /nfs/dbraw/zinc/14/90/90/1293149090.db2.gz GVVAMEKTDOBMIV-MPQSDHOMSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000120851072 1293342443 /nfs/dbraw/zinc/34/24/43/1293342443.db2.gz GLKCJEUFZCVTNN-LJQANCHMSA-N 2 0 326.488 3.330 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000128588179 1293598392 /nfs/dbraw/zinc/59/83/92/1293598392.db2.gz LOKFYBQTQVMHJN-INIZCTEOSA-N 2 0 344.330 3.355 20 0 EGADRP C[C@@H]1CC([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@@H](C)C1 ZINC000128693719 1293602421 /nfs/dbraw/zinc/60/24/21/1293602421.db2.gz WALPDYQPGJYFMP-HOTGVXAUSA-N 2 0 337.552 3.027 20 0 EGADRP c1sc2ccccc2c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000130352132 1293653704 /nfs/dbraw/zinc/65/37/04/1293653704.db2.gz USPYIZXMNDIYRX-OAHLLOKOSA-N 2 0 330.497 3.492 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130731718 1293666556 /nfs/dbraw/zinc/66/65/56/1293666556.db2.gz OGNICGWWDIJLJU-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP C(CCC[N@@H+]1CCOCC12CCC2)CC[NH+]1CCOCC12CCC2 ZINC000135506316 1293797900 /nfs/dbraw/zinc/79/79/00/1293797900.db2.gz QTRNEUSKQLVRKZ-UHFFFAOYSA-N 2 0 336.520 3.057 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000136604010 1293819401 /nfs/dbraw/zinc/81/94/01/1293819401.db2.gz ASDLWTJRZPDWDR-VQTJNVASSA-N 2 0 339.483 3.092 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000151195773 1293912298 /nfs/dbraw/zinc/91/22/98/1293912298.db2.gz UHQJCSISOUXCOQ-HNNXBMFYSA-N 2 0 335.879 3.335 20 0 EGADRP CCCCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156885698 1294162346 /nfs/dbraw/zinc/16/23/46/1294162346.db2.gz WOJDUQOQIISWJO-XLIONFOSSA-N 2 0 345.531 3.442 20 0 EGADRP CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160752653 1294276913 /nfs/dbraw/zinc/27/69/13/1294276913.db2.gz FRLPWWLUUYIPAN-LJQANCHMSA-N 2 0 337.552 3.271 20 0 EGADRP CN(CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000177554091 1294677621 /nfs/dbraw/zinc/67/76/21/1294677621.db2.gz DVUQPZLTPVBEDT-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183507008 1295125876 /nfs/dbraw/zinc/12/58/76/1295125876.db2.gz MMVBGOYRGOFTTA-IAGOWNOFSA-N 2 0 339.524 3.240 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCCCO)cc1C[NH+]1CCCCC1 ZINC000192925819 1295814760 /nfs/dbraw/zinc/81/47/60/1295814760.db2.gz KSHRIEVAGHESFG-KRWDZBQOSA-N 2 0 334.504 3.494 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870865664 1296121103 /nfs/dbraw/zinc/12/11/03/1296121103.db2.gz BOZOZIDAWBUFBP-NSISKUIASA-N 2 0 343.515 3.195 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870867417 1296121424 /nfs/dbraw/zinc/12/14/24/1296121424.db2.gz LMPVOGAPJABUPS-ZWOKBUDYSA-N 2 0 343.515 3.195 20 0 EGADRP CCN1CCCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236830272 1296205308 /nfs/dbraw/zinc/20/53/08/1296205308.db2.gz MMJFMMGOFJNPLU-FQEVSTJZSA-N 2 0 345.531 3.125 20 0 EGADRP COc1cc2c(c(C[NH2+]Cc3cccc(C[NH+](C)C)c3)c1)O[C@@H](C)C2 ZINC000237477594 1296246122 /nfs/dbraw/zinc/24/61/22/1296246122.db2.gz XDDCPRJSQLGINQ-HNNXBMFYSA-N 2 0 340.467 3.370 20 0 EGADRP CN(C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000248043256 1296404559 /nfs/dbraw/zinc/40/45/59/1296404559.db2.gz MLLCYQDUGATIDF-IAGOWNOFSA-N 2 0 339.524 3.050 20 0 EGADRP [NH3+][C@@H](CCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)CC1CCCCC1 ZINC000871800701 1296542855 /nfs/dbraw/zinc/54/28/55/1296542855.db2.gz QKAOQSLWGYROBI-YNBOMUFVSA-N 2 0 332.492 3.298 20 0 EGADRP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000262002944 1296614253 /nfs/dbraw/zinc/61/42/53/1296614253.db2.gz QMFLHLGPSXXEJZ-UHFFFAOYSA-N 2 0 331.504 3.244 20 0 EGADRP c1cncc(COc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2)c1 ZINC000262071301 1296617264 /nfs/dbraw/zinc/61/72/64/1296617264.db2.gz SDOHPCWCJUZDIJ-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592337 1297018451 /nfs/dbraw/zinc/01/84/51/1297018451.db2.gz NWTXIHNWLOBOJD-APWZRJJASA-N 2 0 328.435 3.063 20 0 EGADRP C[C@@]1(C[NH2+]C[C@@H](O)c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000310881030 1297100988 /nfs/dbraw/zinc/10/09/88/1297100988.db2.gz IEIOFCRLZMQKKG-RTWAWAEBSA-N 2 0 342.458 3.361 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000325389840 1297224235 /nfs/dbraw/zinc/22/42/35/1297224235.db2.gz ZLXPBTUESSNGLG-AEFFLSMTSA-N 2 0 329.488 3.247 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@H](n2cncn2)C1 ZINC000340239744 1297310304 /nfs/dbraw/zinc/31/03/04/1297310304.db2.gz DGGNRCXJAQHHSH-CEXWTWQISA-N 2 0 333.524 3.254 20 0 EGADRP Cc1ccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC000873209439 1297353950 /nfs/dbraw/zinc/35/39/50/1297353950.db2.gz LYDHTEMSULMLBU-UHFFFAOYSA-N 2 0 327.497 3.024 20 0 EGADRP Fc1cccc(F)c1N1CC[C@@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210750 1297354704 /nfs/dbraw/zinc/35/47/04/1297354704.db2.gz AADNCXVCEDQRSI-CYBMUJFWSA-N 2 0 349.450 3.041 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000873240939 1297381766 /nfs/dbraw/zinc/38/17/66/1297381766.db2.gz BPOVZXOWXHRYKJ-NVXWUHKLSA-N 2 0 329.488 3.242 20 0 EGADRP FC(F)(F)[C@H]1CCC[C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000873246504 1297386995 /nfs/dbraw/zinc/38/69/95/1297386995.db2.gz VVTQGSUVDHPLGZ-STQMWFEESA-N 2 0 328.382 3.024 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000873250402 1297391468 /nfs/dbraw/zinc/39/14/68/1297391468.db2.gz HGPWONCVTXESNZ-JHNDHUHGSA-N 2 0 336.451 3.162 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000873260661 1297394398 /nfs/dbraw/zinc/39/43/98/1297394398.db2.gz FKBBUBRBHUIXFO-DTYCBIMDSA-N 2 0 332.488 3.316 20 0 EGADRP C[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC[NH2+]CC1 ZINC000873272980 1297403172 /nfs/dbraw/zinc/40/31/72/1297403172.db2.gz XRJKOHLSGYRPTM-WFASDCNBSA-N 2 0 337.305 3.284 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000873289166 1297410679 /nfs/dbraw/zinc/41/06/79/1297410679.db2.gz GEHKOUVWDUOUNN-OCCSQVGLSA-N 2 0 326.843 3.288 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000873290024 1297412675 /nfs/dbraw/zinc/41/26/75/1297412675.db2.gz NFGZELHGYSJMON-KGLIPLIRSA-N 2 0 340.414 3.097 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290411 1297412810 /nfs/dbraw/zinc/41/28/10/1297412810.db2.gz DGNVNGDNJDSNSN-SPYBWZPUSA-N 2 0 332.463 3.197 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873291966 1297414559 /nfs/dbraw/zinc/41/45/59/1297414559.db2.gz JHQIVYHCLYZYEP-ZCNNSNEGSA-N 2 0 328.500 3.245 20 0 EGADRP C[C@@H](CC[NH2+]C[C@H](O)c1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379635184 1297536970 /nfs/dbraw/zinc/53/69/70/1297536970.db2.gz QLMUNTVGXLWJGF-JXFKEZNVSA-N 2 0 330.447 3.359 20 0 EGADRP C[C@@H]1CN(C(=O)CCCCC[NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404513035 1297755004 /nfs/dbraw/zinc/75/50/04/1297755004.db2.gz QTBPAWGBZRVFCB-FGTMMUONSA-N 2 0 331.504 3.015 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000453204791 1297893507 /nfs/dbraw/zinc/89/35/07/1297893507.db2.gz DFLWSRMQJHFWOA-VQTJNVASSA-N 2 0 344.499 3.207 20 0 EGADRP CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000686980845 1298118130 /nfs/dbraw/zinc/11/81/30/1298118130.db2.gz QTOFGNBLZLSULZ-INIZCTEOSA-N 2 0 339.524 3.001 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC000691915733 1298138690 /nfs/dbraw/zinc/13/86/90/1298138690.db2.gz CLHWMGLNQNEZMC-NRFANRHFSA-N 3 0 341.543 3.364 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715193143 1298277949 /nfs/dbraw/zinc/27/79/49/1298277949.db2.gz HFLSZLORKVKSOI-NCOADZHNSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719932216 1298325242 /nfs/dbraw/zinc/32/52/42/1298325242.db2.gz IPZIDEKRBLMGJP-UXHICEINSA-N 2 0 345.531 3.263 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000724026826 1298342361 /nfs/dbraw/zinc/34/23/61/1298342361.db2.gz HQSWXQGHZWCBBB-IRXDYDNUSA-N 2 0 339.524 3.145 20 0 EGADRP CSC(C)(C)CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000876651710 1298898280 /nfs/dbraw/zinc/89/82/80/1298898280.db2.gz BYFFNXMAEGARIM-IAGOWNOFSA-N 2 0 327.582 3.009 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000876708235 1298931347 /nfs/dbraw/zinc/93/13/47/1298931347.db2.gz IUONNVNKQBQFLQ-KXBFYZLASA-N 2 0 347.478 3.337 20 0 EGADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000749224759 1299169818 /nfs/dbraw/zinc/16/98/18/1299169818.db2.gz WBUBUKFKFCHBQT-HXUWFJFHSA-N 2 0 343.515 3.114 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000877528492 1299370186 /nfs/dbraw/zinc/37/01/86/1299370186.db2.gz BOVFWYDURSRLOZ-KFNAQCHYSA-N 2 0 331.287 3.489 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000754049154 1300070320 /nfs/dbraw/zinc/07/03/20/1300070320.db2.gz ZNPFDSIYECFRLQ-SFHVURJKSA-N 2 0 334.504 3.237 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)CCO2 ZINC000878769262 1300183692 /nfs/dbraw/zinc/18/36/92/1300183692.db2.gz NQJUPSMIQJNOEF-VQTJNVASSA-N 2 0 344.499 3.093 20 0 EGADRP c1cc(N2CCCCC2)ccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000754785355 1300215004 /nfs/dbraw/zinc/21/50/04/1300215004.db2.gz KPGKYWKLKIQFGZ-PZJWPPBQSA-N 2 0 327.516 3.436 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC(C)([NH+]4CCC4)CC3)c2cc1OC ZINC000882962297 1302185442 /nfs/dbraw/zinc/18/54/42/1302185442.db2.gz OEVZOFWNYQPEDX-UHFFFAOYSA-N 2 0 341.455 3.317 20 0 EGADRP COc1ccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000765508022 1302275712 /nfs/dbraw/zinc/27/57/12/1302275712.db2.gz VCQJDDMQIMVMLR-OAHLLOKOSA-N 2 0 341.455 3.156 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000765680524 1302305786 /nfs/dbraw/zinc/30/57/86/1302305786.db2.gz DNLWMNRTDRIVAN-IEBWSBKVSA-N 2 0 349.588 3.485 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883435404 1302443989 /nfs/dbraw/zinc/44/39/89/1302443989.db2.gz SDOJJGAHFSICHE-ADAARDCZSA-N 2 0 344.499 3.268 20 0 EGADRP c1cc2c(cc1C[N@@H+]1CCCC[C@H](C3CCOCC3)C1)C[NH2+]CC2 ZINC000883462032 1302452963 /nfs/dbraw/zinc/45/29/63/1302452963.db2.gz INBFYOZCIXXLTE-FQEVSTJZSA-N 2 0 328.500 3.361 20 0 EGADRP C[C@@]1(O)CCC[N@H+](CCCCCCCC[NH+]2CCC[C@](C)(O)C2)C1 ZINC000767024823 1302566641 /nfs/dbraw/zinc/56/66/41/1302566641.db2.gz AUIRDCKIZVWECU-BGYRXZFFSA-N 2 0 340.552 3.021 20 0 EGADRP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000768094832 1302822836 /nfs/dbraw/zinc/82/28/36/1302822836.db2.gz CUWDWYHJTAKZES-KKUMJFAQSA-N 2 0 344.421 3.244 20 0 EGADRP CC(C)n1ncc2cc(C[NH+]3CCC(C[NH+](C)C)CC3)c(Cl)nc21 ZINC000768301825 1302875909 /nfs/dbraw/zinc/87/59/09/1302875909.db2.gz BXFWHSCARYDDBR-UHFFFAOYSA-N 2 0 349.910 3.439 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000885924173 1303279127 /nfs/dbraw/zinc/27/91/27/1303279127.db2.gz JRCVLIQREICLEG-FQEVSTJZSA-N 2 0 346.515 3.346 20 0 EGADRP CC1([NH+]2CCCC2)CCC(Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000886581796 1303512114 /nfs/dbraw/zinc/51/21/14/1303512114.db2.gz PTPNULKTASLXIN-UHFFFAOYSA-N 2 0 325.460 3.476 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000773070459 1303617825 /nfs/dbraw/zinc/61/78/25/1303617825.db2.gz PXAYCDQXXAMBEB-CWFSZBLJSA-N 2 0 332.488 3.114 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cc[nH+]1 ZINC000775399863 1303955959 /nfs/dbraw/zinc/95/59/59/1303955959.db2.gz GHNIQIXZBZKGOX-SQNIBIBYSA-N 2 0 349.569 3.267 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc2ccccc2[nH]1)N1CC[NH+](C)CC1 ZINC000775623258 1303997098 /nfs/dbraw/zinc/99/70/98/1303997098.db2.gz OQARAWRKGDYSTG-JXFKEZNVSA-N 2 0 328.504 3.091 20 0 EGADRP CCc1nccn1[C@H](C)CC(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000888575876 1304202802 /nfs/dbraw/zinc/20/28/02/1304202802.db2.gz ASBQSOYRQNVMNO-OAHLLOKOSA-N 2 0 341.459 3.421 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000782183442 1304926396 /nfs/dbraw/zinc/92/63/96/1304926396.db2.gz LPRJMSYLFWBXSO-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP FC(F)(F)Oc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000892606786 1305466698 /nfs/dbraw/zinc/46/66/98/1305466698.db2.gz CYOILSGFNOIBHQ-LSDHHAIUSA-N 2 0 328.378 3.344 20 0 EGADRP Cc1cc(F)ncc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000892874992 1305589283 /nfs/dbraw/zinc/58/92/83/1305589283.db2.gz BPJVUOZEOXVXPM-UHFFFAOYSA-N 2 0 331.435 3.149 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CN2C[C@@H](CC(C)(C)C)CC2=O)CC1 ZINC000787230743 1305714672 /nfs/dbraw/zinc/71/46/72/1305714672.db2.gz ZJFARYQJUXTGKR-GOSISDBHSA-N 2 0 337.552 3.282 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C[C@@H](C)O1 ZINC000788646886 1305989418 /nfs/dbraw/zinc/98/94/18/1305989418.db2.gz TVGKRRAMKWSYLE-IIAWOOMASA-N 2 0 337.895 3.201 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nc(Br)ccc1F ZINC000788734967 1306005536 /nfs/dbraw/zinc/00/55/36/1306005536.db2.gz OFPOEJYHJATDAW-NSHDSACASA-N 2 0 344.272 3.366 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790749102 1308858696 /nfs/dbraw/zinc/85/86/96/1308858696.db2.gz CLAHTMZVVSWRGV-HOTGVXAUSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793192796 1309315383 /nfs/dbraw/zinc/31/53/83/1309315383.db2.gz TURWDHVGLYIOJJ-AEFFLSMTSA-N 2 0 349.434 3.402 20 0 EGADRP C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000793569714 1309406995 /nfs/dbraw/zinc/40/69/95/1309406995.db2.gz PSMFLGHABKERQG-AEFFLSMTSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000796712591 1310070764 /nfs/dbraw/zinc/07/07/64/1310070764.db2.gz YAERVCCHNRGKGA-FAEJEUNOSA-N 2 0 329.488 3.337 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000897006827 1310132652 /nfs/dbraw/zinc/13/26/52/1310132652.db2.gz UUYPYGGNOBZTQR-MJGOQNOKSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCOc2cccnc2)CC1 ZINC000798184532 1310312594 /nfs/dbraw/zinc/31/25/94/1310312594.db2.gz WPLHPBKJPFASPA-UHFFFAOYSA-N 2 0 339.483 3.493 20 0 EGADRP C[C@]1(C[NH2+]Cc2cnc3ccccn23)CC[N@H+](Cc2ccccc2)C1 ZINC000798499510 1310372910 /nfs/dbraw/zinc/37/29/10/1310372910.db2.gz XQSPCRFYEUSXFL-OAQYLSRUSA-N 2 0 334.467 3.336 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc4c3OCCCO4)C2)CC1 ZINC000798957217 1310463951 /nfs/dbraw/zinc/46/39/51/1310463951.db2.gz OSCZQBAOTJJKTA-UHFFFAOYSA-N 2 0 330.472 3.156 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(CCO)cc2)CC1 ZINC000898171065 1310612680 /nfs/dbraw/zinc/61/26/80/1310612680.db2.gz PXGAOYVGFMYGHC-UTKZUKDTSA-N 2 0 330.516 3.354 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000916970980 1319730584 /nfs/dbraw/zinc/73/05/84/1319730584.db2.gz WZBQYFFOQYQZCP-INIZCTEOSA-N 2 0 346.393 3.083 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000839182176 1320888195 /nfs/dbraw/zinc/88/81/95/1320888195.db2.gz LHZQMHUHSNECLE-IRXDYDNUSA-N 2 0 341.540 3.105 20 0 EGADRP c1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)ccc1C[NH+]1CCCCC1 ZINC000839479176 1320927375 /nfs/dbraw/zinc/92/73/75/1320927375.db2.gz CCDXHAXSCZCYJP-HXUWFJFHSA-N 2 0 344.499 3.400 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CC[NH+](C(C)(C)C)C3)c2)C1 ZINC000857303681 1328527001 /nfs/dbraw/zinc/52/70/01/1328527001.db2.gz KUYOYEHQEOSONX-RTBURBONSA-N 2 0 343.515 3.098 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018966399 1316988121 /nfs/dbraw/zinc/98/81/21/1316988121.db2.gz HRTZRNQDPCZUTP-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001018971662 1316991395 /nfs/dbraw/zinc/99/13/95/1316991395.db2.gz MYMKRELIYPXXRE-ROUUACIJSA-N 2 0 343.515 3.039 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+][C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001019071786 1317032667 /nfs/dbraw/zinc/03/26/67/1317032667.db2.gz ACTRLVGESQTERV-QAPCUYQASA-N 2 0 348.450 3.208 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001019094921 1317041608 /nfs/dbraw/zinc/04/16/08/1317041608.db2.gz SLQDZABPDOCPKX-APWZRJJASA-N 2 0 348.450 3.208 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1C[NH+](CCC(C)(C)C)C1 ZINC000957073551 1317171212 /nfs/dbraw/zinc/17/12/12/1317171212.db2.gz ZMZXFXYYTJDADA-UHFFFAOYSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC000957278100 1317256951 /nfs/dbraw/zinc/25/69/51/1317256951.db2.gz FHMXJZRONFRMRI-DLBZAZTESA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001019465338 1317260552 /nfs/dbraw/zinc/26/05/52/1317260552.db2.gz AKNTWTRGNLWKNG-WMZOPIPTSA-N 2 0 349.544 3.012 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019632201 1317311011 /nfs/dbraw/zinc/31/10/11/1317311011.db2.gz DUNDWEDRFTZCOG-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1CN([C@@H](C)c2ccccc2)C1 ZINC000957420109 1317345754 /nfs/dbraw/zinc/34/57/54/1317345754.db2.gz FTBIUEPCKQOBEF-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957559920 1317456935 /nfs/dbraw/zinc/45/69/35/1317456935.db2.gz RAKWGGCDOICLAS-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000957561618 1317458586 /nfs/dbraw/zinc/45/85/86/1317458586.db2.gz WVPGQCMTDHNCAA-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568565 1317467113 /nfs/dbraw/zinc/46/71/13/1317467113.db2.gz LANGSLWCSZOUFA-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000858167572 1328701998 /nfs/dbraw/zinc/70/19/98/1328701998.db2.gz VALGMKRWEKNFOL-WBVHZDCISA-N 2 0 344.503 3.130 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000957596558 1317486701 /nfs/dbraw/zinc/48/67/01/1317486701.db2.gz CDPQRHZFKHZPNF-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020028774 1317507805 /nfs/dbraw/zinc/50/78/05/1317507805.db2.gz JIPDDNVXYCAXOF-TVFCKZIOSA-N 2 0 349.906 3.122 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633690 1317508552 /nfs/dbraw/zinc/50/85/52/1317508552.db2.gz LPBCBUVVNHWDLJ-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000957644741 1317517017 /nfs/dbraw/zinc/51/70/17/1317517017.db2.gz GHFUDULXWIMOFF-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CN(C)c1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c2ccccc2n1 ZINC000902333272 1317564645 /nfs/dbraw/zinc/56/46/45/1317564645.db2.gz JPDUVBTYNUMKSP-MRXNPFEDSA-N 2 0 326.488 3.169 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000902346103 1317566224 /nfs/dbraw/zinc/56/62/24/1317566224.db2.gz GFBCNUZGYPGFDV-LJQANCHMSA-N 2 0 343.515 3.181 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000902368226 1317569111 /nfs/dbraw/zinc/56/91/11/1317569111.db2.gz FUSKNHWIERJSKX-FHLIZLRMSA-N 2 0 337.458 3.078 20 0 EGADRP CSc1ccc(Br)cc1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000902430134 1317577986 /nfs/dbraw/zinc/57/79/86/1317577986.db2.gz OVTMQBQYMGEILG-STQMWFEESA-N 2 0 329.307 3.183 20 0 EGADRP COc1ccc([C@@H](NCCc2cccnc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000902513818 1317584935 /nfs/dbraw/zinc/58/49/35/1317584935.db2.gz OOERGNFXMFFIJR-WOJBJXKFSA-N 2 0 325.456 3.024 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001020214527 1317596216 /nfs/dbraw/zinc/59/62/16/1317596216.db2.gz VYJMSYVKZPBKSI-CGBFIWBNSA-N 2 0 343.515 3.167 20 0 EGADRP Fc1ccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903076578 1317648460 /nfs/dbraw/zinc/64/84/60/1317648460.db2.gz SGFJMULEYKMRKX-ORXZFZRUSA-N 2 0 343.490 3.399 20 0 EGADRP COc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903086575 1317650398 /nfs/dbraw/zinc/65/03/98/1317650398.db2.gz PLEJJCMAZWBENG-ZNXRZULTSA-N 2 0 326.484 3.474 20 0 EGADRP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1C ZINC000903116336 1317655438 /nfs/dbraw/zinc/65/54/38/1317655438.db2.gz HEYLFKPCQOBXJP-YNWKUBOOSA-N 2 0 330.516 3.434 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1C ZINC000903115460 1317656387 /nfs/dbraw/zinc/65/63/87/1317656387.db2.gz NGQUYHLYVNWWHK-MYGYKHERSA-N 2 0 330.516 3.434 20 0 EGADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000903147270 1317662704 /nfs/dbraw/zinc/66/27/04/1317662704.db2.gz GMKHLQCNOYZRLW-WIKJJEKGSA-N 2 0 331.548 3.387 20 0 EGADRP C[C@@H]1C[C@H](NCc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000903201951 1317673256 /nfs/dbraw/zinc/67/32/56/1317673256.db2.gz RZIPUCXLPVZJCC-IEBWSBKVSA-N 2 0 338.499 3.290 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201255 1317673643 /nfs/dbraw/zinc/67/36/43/1317673643.db2.gz HCGOGNFPCUUUFE-UTKZUKDTSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@@H]1SCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903733455 1317726686 /nfs/dbraw/zinc/72/66/86/1317726686.db2.gz KLALLQMBWTYVAR-WDSOQIARSA-N 2 0 346.540 3.324 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(F)cccc1Cl ZINC000903758506 1317731065 /nfs/dbraw/zinc/73/10/65/1317731065.db2.gz LIAMLEKPLXEMGP-OLZOCXBDSA-N 2 0 326.843 3.288 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000903794153 1317736141 /nfs/dbraw/zinc/73/61/41/1317736141.db2.gz OXJJRFKFBYHJJQ-UHFFFAOYSA-N 2 0 336.479 3.157 20 0 EGADRP CC(C)(C)c1csc([C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)n1 ZINC000903890147 1317742374 /nfs/dbraw/zinc/74/23/74/1317742374.db2.gz YRDREHQQOCKTTA-UYTSQGDYSA-N 2 0 349.544 3.345 20 0 EGADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000903888944 1317742391 /nfs/dbraw/zinc/74/23/91/1317742391.db2.gz NGVSGDCGSZFFHD-MSOLQXFVSA-N 2 0 331.508 3.137 20 0 EGADRP CC(C)C1CCC(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000903899708 1317744648 /nfs/dbraw/zinc/74/46/48/1317744648.db2.gz WTMSREIFLWERQI-BWQRXAFVSA-N 2 0 333.564 3.349 20 0 EGADRP Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903899149 1317745338 /nfs/dbraw/zinc/74/53/38/1317745338.db2.gz SVBSPIYFUICJBS-FXAWDEMLSA-N 2 0 339.487 3.157 20 0 EGADRP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908599 1317746638 /nfs/dbraw/zinc/74/66/38/1317746638.db2.gz LWCZHOIQJGWNAQ-DCBIUVGBSA-N 2 0 330.447 3.251 20 0 EGADRP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913072 1317747828 /nfs/dbraw/zinc/74/78/28/1317747828.db2.gz LEOOYMZUYYYOQQ-DOVSJBTNSA-N 2 0 328.500 3.094 20 0 EGADRP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)CCC2 ZINC000903933898 1317751367 /nfs/dbraw/zinc/75/13/67/1317751367.db2.gz AJRWWYJHTYWXPF-QAPCUYQASA-N 2 0 345.878 3.023 20 0 EGADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904322758 1317830715 /nfs/dbraw/zinc/83/07/15/1317830715.db2.gz JGAVRFBJMGMRLV-HXUWFJFHSA-N 2 0 330.520 3.010 20 0 EGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904364507 1317836188 /nfs/dbraw/zinc/83/61/88/1317836188.db2.gz YHFJQMFGTPNOJQ-PKUWUEBNSA-N 2 0 328.431 3.445 20 0 EGADRP C[C@H](C[NH2+]C1CC(C[NH3+])C1)Sc1ccc(Br)cc1 ZINC000904360472 1317836465 /nfs/dbraw/zinc/83/64/65/1317836465.db2.gz LFZFFTHVQSTRFY-XSRFYTQQSA-N 2 0 329.307 3.257 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000904404699 1317844043 /nfs/dbraw/zinc/84/40/43/1317844043.db2.gz CXLXDGLOWOLSIZ-YOEHRIQHSA-N 2 0 338.879 3.069 20 0 EGADRP CCc1nn(C)c(Cl)c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458700 1317850859 /nfs/dbraw/zinc/85/08/59/1317850859.db2.gz FWWXYMOZQVICBE-UHFFFAOYSA-N 2 0 346.906 3.128 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1cccc2c1NCC2 ZINC000904473444 1317851832 /nfs/dbraw/zinc/85/18/32/1317851832.db2.gz IUGUSDHLNZPJIU-GHTZIAJQSA-N 2 0 335.451 3.000 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020676246 1317851901 /nfs/dbraw/zinc/85/19/01/1317851901.db2.gz YBAVITJQFUMOEI-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020676245 1317852022 /nfs/dbraw/zinc/85/20/22/1317852022.db2.gz YBAVITJQFUMOEI-UFYCRDLUSA-N 2 0 349.563 3.457 20 0 EGADRP c1ccc2c(c1)C=C(C[NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000904472633 1317852399 /nfs/dbraw/zinc/85/23/99/1317852399.db2.gz NJOBGGQNWQTFTF-SIKLNZKXSA-N 2 0 348.446 3.308 20 0 EGADRP C[NH+](C)C[C@H](NC(=O)Nc1ccccc1C[NH3+])c1ccc(Cl)cc1 ZINC000904639656 1317874501 /nfs/dbraw/zinc/87/45/01/1317874501.db2.gz VJMLFLBVSXAAQO-KRWDZBQOSA-N 2 0 346.862 3.223 20 0 EGADRP CC(C)[C@H](CNC(=O)Nc1ccccc1C[NH3+])[NH+]1CCC(C)CC1 ZINC000904667218 1317879816 /nfs/dbraw/zinc/87/98/16/1317879816.db2.gz YKJAFURQFTWBHG-SFHVURJKSA-N 2 0 332.492 3.023 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000809754975 1317892624 /nfs/dbraw/zinc/89/26/24/1317892624.db2.gz GGOIDDUNNBTVPL-INIZCTEOSA-N 2 0 327.513 3.050 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)CC1 ZINC000905905755 1318016616 /nfs/dbraw/zinc/01/66/16/1318016616.db2.gz PFNVEXMLNQOQPG-SFHVURJKSA-N 2 0 326.431 3.024 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc[nH+]c(CO)c3)cc2)C1 ZINC000858348008 1328742316 /nfs/dbraw/zinc/74/23/16/1328742316.db2.gz CHXOQQNPSZMZQQ-MRXNPFEDSA-N 2 0 325.456 3.418 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021274198 1318167680 /nfs/dbraw/zinc/16/76/80/1318167680.db2.gz MEVLPEKVINVYSC-IPQPSQTFSA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001021357705 1318209084 /nfs/dbraw/zinc/20/90/84/1318209084.db2.gz NDYXERVIGYUJLA-XUBOLADHSA-N 2 0 347.547 3.186 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001021461192 1318266157 /nfs/dbraw/zinc/26/61/57/1318266157.db2.gz BMCWJHKFLURRJT-IHWFROFDSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1CNc1cc[nH+]c(CO)c1 ZINC000858421656 1328758714 /nfs/dbraw/zinc/75/87/14/1328758714.db2.gz DSPGDASPCKUIEY-UHFFFAOYSA-N 2 0 337.423 3.411 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960130024 1318371836 /nfs/dbraw/zinc/37/18/36/1318371836.db2.gz DJAMMRSQWWNUHY-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000960135695 1318375470 /nfs/dbraw/zinc/37/54/70/1318375470.db2.gz JORIJPBAAAQUHJ-PMACEKPBSA-N 2 0 345.531 3.060 20 0 EGADRP O=C(N1CCCC[C@H]1C[NH2+]CC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC000960189149 1318401625 /nfs/dbraw/zinc/40/16/25/1318401625.db2.gz XHIMDYQBLRTUQG-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624871 1318475786 /nfs/dbraw/zinc/47/57/86/1318475786.db2.gz ZSKMHQSSTHIWIU-PKOBYXMFSA-N 2 0 340.471 3.061 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCC(C)(C)C)CC[C@@H]32)CC1 ZINC001021666849 1318529440 /nfs/dbraw/zinc/52/94/40/1318529440.db2.gz XLOKJXKOZWOTBX-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CCN4CCCC4)C3)CC2)cc1 ZINC000813370951 1318547977 /nfs/dbraw/zinc/54/79/77/1318547977.db2.gz LWEHOXWAONLQRX-UHFFFAOYSA-N 2 0 327.516 3.070 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000960686885 1318793026 /nfs/dbraw/zinc/79/30/26/1318793026.db2.gz JBQUQSZYESGFNR-UXHICEINSA-N 2 0 345.531 3.004 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001022166439 1318825085 /nfs/dbraw/zinc/82/50/85/1318825085.db2.gz VYJMSYVKZPBKSI-FTEYMNFISA-N 2 0 343.515 3.167 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022202275 1318840211 /nfs/dbraw/zinc/84/02/11/1318840211.db2.gz VKZJECGBVZOKPD-FFGOWVMKSA-N 2 0 343.515 3.247 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001022434657 1318940598 /nfs/dbraw/zinc/94/05/98/1318940598.db2.gz LGKSZDLETZKCEJ-WSTZPKSXSA-N 2 0 348.450 3.336 20 0 EGADRP O[C@@H]1CCC[NH+](CCCCCCCC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000815297169 1318950702 /nfs/dbraw/zinc/95/07/02/1318950702.db2.gz RQVDMEYTWALOLJ-BGYRXZFFSA-N 2 0 340.552 3.021 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC001022536114 1318979664 /nfs/dbraw/zinc/97/96/64/1318979664.db2.gz SWEANTZGYZHMOV-HDICACEKSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCCC2)C1 ZINC000960859986 1319004664 /nfs/dbraw/zinc/00/46/64/1319004664.db2.gz CXRGMWUZHLIWNG-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1C)[NH+](C)C ZINC000960864166 1319009075 /nfs/dbraw/zinc/00/90/75/1319009075.db2.gz FTXSNRWUJFDQSH-PMACEKPBSA-N 2 0 345.531 3.066 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815577946 1319019391 /nfs/dbraw/zinc/01/93/91/1319019391.db2.gz DIAMHIPRITVTTB-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000815647637 1319036050 /nfs/dbraw/zinc/03/60/50/1319036050.db2.gz QIHOSPZJIBFMJO-QGZVFWFLSA-N 2 0 344.503 3.133 20 0 EGADRP CSc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000815659697 1319039673 /nfs/dbraw/zinc/03/96/73/1319039673.db2.gz INAYYERGVJBANL-RGPMPMONSA-N 2 0 333.545 3.226 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCC1 ZINC000960975395 1319108919 /nfs/dbraw/zinc/10/89/19/1319108919.db2.gz VLQQPOXTAXAZCY-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC000960979138 1319112517 /nfs/dbraw/zinc/11/25/17/1319112517.db2.gz OURBHIPKHRNFQT-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288485 1319447099 /nfs/dbraw/zinc/44/70/99/1319447099.db2.gz WZOYARNXMHTKKZ-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000817880461 1319452345 /nfs/dbraw/zinc/45/23/45/1319452345.db2.gz VJAOSYVLTQJDNW-VKJFTORMSA-N 2 0 325.456 3.084 20 0 EGADRP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000817893759 1319453785 /nfs/dbraw/zinc/45/37/85/1319453785.db2.gz HAAQHPRSWVLPLU-KPFFTGBYSA-N 2 0 334.504 3.408 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817901630 1319455761 /nfs/dbraw/zinc/45/57/61/1319455761.db2.gz DCELEOKCRLQPFT-CEWLAPEOSA-N 2 0 340.467 3.016 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000817916262 1319460566 /nfs/dbraw/zinc/46/05/66/1319460566.db2.gz DNFQTIMJHSPILW-BASLNEPJSA-N 2 0 326.843 3.023 20 0 EGADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817948072 1319473038 /nfs/dbraw/zinc/47/30/38/1319473038.db2.gz UDRQOPQNPBSEIV-SSHXOBKSSA-N 2 0 325.497 3.024 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000817948891 1319473644 /nfs/dbraw/zinc/47/36/44/1319473644.db2.gz LZYRPGWZTHCLGW-XMSQKQJNSA-N 3 0 337.511 3.188 20 0 EGADRP COc1ccc([C@@H](C)NCC[NH2+]C2CC2)cc1C[NH+]1CCCCC1 ZINC000817954125 1319475247 /nfs/dbraw/zinc/47/52/47/1319475247.db2.gz VDRSSGJITUSFQA-MRXNPFEDSA-N 2 0 331.504 3.084 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023364620 1319475602 /nfs/dbraw/zinc/47/56/02/1319475602.db2.gz NBGHBSUIAXODLV-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817966441 1319479323 /nfs/dbraw/zinc/47/93/23/1319479323.db2.gz NYTUNENPIQEAKD-MDZRGWNJSA-N 2 0 339.524 3.144 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023370680 1319482339 /nfs/dbraw/zinc/48/23/39/1319482339.db2.gz MUUBOQIWKHFORG-OALUTQOASA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023395158 1319501053 /nfs/dbraw/zinc/50/10/53/1319501053.db2.gz BNOKDKAEJRBAAB-MRXNPFEDSA-N 2 0 349.544 3.052 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023402985 1319510643 /nfs/dbraw/zinc/51/06/43/1319510643.db2.gz XXTDEEGKUIZLSQ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP Cc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)sc2nc(C)nc(C)c12 ZINC000915681875 1319519220 /nfs/dbraw/zinc/51/92/20/1319519220.db2.gz GNBOQJUMGWSYDC-GJZGRUSLSA-N 2 0 330.501 3.333 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450525 1319551194 /nfs/dbraw/zinc/55/11/94/1319551194.db2.gz GYLWDYKYPGDWHT-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961401254 1319556196 /nfs/dbraw/zinc/55/61/96/1319556196.db2.gz CUEKKMWVUKRBRX-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000961418573 1319576153 /nfs/dbraw/zinc/57/61/53/1319576153.db2.gz CFEJXEKULMJIIZ-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1cccc(F)c1 ZINC000818942254 1319582444 /nfs/dbraw/zinc/58/24/44/1319582444.db2.gz BSTKGTOWUSCRHA-FQEVSTJZSA-N 2 0 328.431 3.245 20 0 EGADRP C[N@H+](CCC[NH2+]C[C@H](O)c1cccc(Cl)c1)Cc1ccccc1 ZINC000818943013 1319582638 /nfs/dbraw/zinc/58/26/38/1319582638.db2.gz OAYSNZKKMNWPTH-IBGZPJMESA-N 2 0 332.875 3.485 20 0 EGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1cccc(F)c1 ZINC000818942255 1319582891 /nfs/dbraw/zinc/58/28/91/1319582891.db2.gz BSTKGTOWUSCRHA-HXUWFJFHSA-N 2 0 328.431 3.245 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000818971414 1319599267 /nfs/dbraw/zinc/59/92/67/1319599267.db2.gz WEMADDOJWAMVBX-SFHVURJKSA-N 2 0 334.410 3.240 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000819011440 1319612920 /nfs/dbraw/zinc/61/29/20/1319612920.db2.gz PRRPSAUCDHOSQJ-LJQANCHMSA-N 2 0 348.874 3.104 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000819182151 1319659305 /nfs/dbraw/zinc/65/93/05/1319659305.db2.gz JIMCTHOHQCCGGW-KBXCAEBGSA-N 2 0 342.886 3.470 20 0 EGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)[NH+]1CCCCC1 ZINC000819231210 1319675785 /nfs/dbraw/zinc/67/57/85/1319675785.db2.gz REGATKKZZJYSJF-SUMWQHHRSA-N 2 0 328.859 3.367 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819366003 1319710309 /nfs/dbraw/zinc/71/03/09/1319710309.db2.gz GMQCIODVXKDUAR-BLLLJJGKSA-N 2 0 331.287 3.348 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC000961854367 1319747600 /nfs/dbraw/zinc/74/76/00/1319747600.db2.gz DKIISPPWYPCQIZ-GHBBCFCZSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763644 1319910183 /nfs/dbraw/zinc/91/01/83/1319910183.db2.gz VQWIWDKZTBYVKY-SFHVURJKSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809006 1319957475 /nfs/dbraw/zinc/95/74/75/1319957475.db2.gz RNLLUQGHPJXTKU-BBRMVZONSA-N 2 0 329.410 3.035 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000820829204 1319964211 /nfs/dbraw/zinc/96/42/11/1319964211.db2.gz GMCXNRXMOZVZJS-MGPUTAFESA-N 2 0 330.447 3.446 20 0 EGADRP C[C@@H](c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1)[C@H](C)[NH3+] ZINC000822919543 1320136813 /nfs/dbraw/zinc/13/68/13/1320136813.db2.gz JQSSOFIDMXTLOA-CABCVRRESA-N 2 0 328.460 3.419 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823630699 1320193383 /nfs/dbraw/zinc/19/33/83/1320193383.db2.gz RYBQXSGADGKAGP-IAGOWNOFSA-N 2 0 341.540 3.342 20 0 EGADRP Cc1nc2c(s1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000839005633 1320849484 /nfs/dbraw/zinc/84/94/84/1320849484.db2.gz NLGIDALBKSGBCA-QGZVFWFLSA-N 2 0 328.485 3.483 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1OC(=O)CC ZINC000841081395 1321215341 /nfs/dbraw/zinc/21/53/41/1321215341.db2.gz AFENOKNOUCAXNK-WKILWMFISA-N 2 0 348.487 3.255 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000859213322 1328947343 /nfs/dbraw/zinc/94/73/43/1328947343.db2.gz VKJUJSJJCORNNJ-HXUWFJFHSA-N 2 0 337.467 3.134 20 0 EGADRP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215118 1328948460 /nfs/dbraw/zinc/94/84/60/1328948460.db2.gz ZQEKGIBOPRPUEX-KZNAEPCWSA-N 2 0 345.531 3.358 20 0 EGADRP C[N@H+](CCCCCCC[NH3+])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000842473017 1321393768 /nfs/dbraw/zinc/39/37/68/1321393768.db2.gz MDEZUGFWFQWMNC-KRWDZBQOSA-N 2 0 337.895 3.286 20 0 EGADRP CCOc1c(Cl)cc(C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843055675 1321462953 /nfs/dbraw/zinc/46/29/53/1321462953.db2.gz KJGCPSYILDQGNB-UHFFFAOYSA-N 2 0 326.868 3.449 20 0 EGADRP COc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1OCc1cccnc1 ZINC000843105191 1321471333 /nfs/dbraw/zinc/47/13/33/1321471333.db2.gz RTJNGRBPEPQYOA-UHFFFAOYSA-N 2 0 341.455 3.029 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC12CCOCC2 ZINC000843124852 1321473615 /nfs/dbraw/zinc/47/36/15/1321473615.db2.gz JKFFDKGXABVDIB-AWEZNQCLSA-N 2 0 342.455 3.189 20 0 EGADRP c1cc(-c2noc(CCC3CC[NH2+]CC3)n2)ccc1C[NH+]1CCCC1 ZINC000843173056 1321481301 /nfs/dbraw/zinc/48/13/01/1321481301.db2.gz MEYUCNJRXQUFLG-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(C[NH2+]CC4CC4)n3)cc2)CC1 ZINC000843200410 1321486657 /nfs/dbraw/zinc/48/66/57/1321486657.db2.gz NSEASUAZDZHUMM-UHFFFAOYSA-N 2 0 340.471 3.468 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000843342280 1321502081 /nfs/dbraw/zinc/50/20/81/1321502081.db2.gz LNJBJRJWYLFQEW-PBXWNFIWSA-N 2 0 329.271 3.005 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354594 1321504764 /nfs/dbraw/zinc/50/47/64/1321504764.db2.gz DTOMBRJXFUHSDG-UHFFFAOYSA-N 2 0 332.469 3.390 20 0 EGADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2ccccc2c1 ZINC000843387082 1321509249 /nfs/dbraw/zinc/50/92/49/1321509249.db2.gz DUPJHNUMJLNQTE-RBUKOAKNSA-N 2 0 337.467 3.100 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000844188574 1321577522 /nfs/dbraw/zinc/57/75/22/1321577522.db2.gz WSDMLNOXPCACMN-UGSOOPFHSA-N 2 0 329.419 3.162 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000846222616 1321777200 /nfs/dbraw/zinc/77/72/00/1321777200.db2.gz WKGTUIQRGCVZCT-NRFANRHFSA-N 3 0 329.532 3.494 20 0 EGADRP CC(C)c1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000848523676 1321968357 /nfs/dbraw/zinc/96/83/57/1321968357.db2.gz BZZAKGVHNYACTQ-UHFFFAOYSA-N 2 0 338.499 3.247 20 0 EGADRP CC(C)c1ccccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000848530586 1321970540 /nfs/dbraw/zinc/97/05/40/1321970540.db2.gz CANPEWPGCGVNFY-UHFFFAOYSA-N 2 0 338.499 3.247 20 0 EGADRP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000850035728 1322186471 /nfs/dbraw/zinc/18/64/71/1322186471.db2.gz ARCZVZHZYXOQBL-QFBILLFUSA-N 2 0 348.535 3.223 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000920759175 1322219572 /nfs/dbraw/zinc/21/95/72/1322219572.db2.gz VPPMHBBSGKLELA-KRWDZBQOSA-N 2 0 349.544 3.267 20 0 EGADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cnc1Cl ZINC000850361755 1322234994 /nfs/dbraw/zinc/23/49/94/1322234994.db2.gz CUXWBLCYMKPIQU-UHFFFAOYSA-N 2 0 344.890 3.440 20 0 EGADRP CC(C)c1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850419676 1322244630 /nfs/dbraw/zinc/24/46/30/1322244630.db2.gz GQGQEIWNSKODOV-UHFFFAOYSA-N 2 0 338.927 3.409 20 0 EGADRP CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)C1 ZINC000921496534 1322329061 /nfs/dbraw/zinc/32/90/61/1322329061.db2.gz WDYXRYCNNZJWKP-OALUTQOASA-N 2 0 334.529 3.283 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000922432175 1322528542 /nfs/dbraw/zinc/52/85/42/1322528542.db2.gz OLIMABTVNYPMIH-UHFFFAOYSA-N 2 0 349.360 3.186 20 0 EGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000923438581 1322751986 /nfs/dbraw/zinc/75/19/86/1322751986.db2.gz AKAAMHHJGPDYBA-AABGKKOBSA-N 2 0 344.499 3.127 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000923485240 1322760062 /nfs/dbraw/zinc/76/00/62/1322760062.db2.gz RJSGMIXPBAJZPH-BEFAXECRSA-N 2 0 341.430 3.176 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000923487990 1322760476 /nfs/dbraw/zinc/76/04/76/1322760476.db2.gz OUUOTGGQUNFDBT-QGZVFWFLSA-N 2 0 337.467 3.353 20 0 EGADRP CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923493033 1322761323 /nfs/dbraw/zinc/76/13/23/1322761323.db2.gz QERJFKCYSJOMGW-MAUKXSAKSA-N 2 0 349.494 3.090 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000923491706 1322761344 /nfs/dbraw/zinc/76/13/44/1322761344.db2.gz MEFPILXYAZOUNZ-LAUBAEHRSA-N 2 0 343.515 3.095 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000924377883 1323001742 /nfs/dbraw/zinc/00/17/42/1323001742.db2.gz RDVGYAJMWZZGEJ-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cccc(C[NH+](C)C)c1 ZINC000924641076 1323088846 /nfs/dbraw/zinc/08/88/46/1323088846.db2.gz PGSOUZYIGGVXLR-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924689042 1323113287 /nfs/dbraw/zinc/11/32/87/1323113287.db2.gz WGZGNXJWDDZCCZ-YZGWKJHDSA-N 2 0 332.536 3.233 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851919933 1323114739 /nfs/dbraw/zinc/11/47/39/1323114739.db2.gz RTBSILOQCZPLFL-SFHVURJKSA-N 2 0 326.525 3.362 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(Br)CC1 ZINC000924704876 1323122679 /nfs/dbraw/zinc/12/26/79/1323122679.db2.gz UXGPATCYVSRYTB-CYBMUJFWSA-N 2 0 341.293 3.033 20 0 EGADRP CC1(C)OC[C@@H](CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000852039640 1323136849 /nfs/dbraw/zinc/13/68/49/1323136849.db2.gz HJOQLFTWYWHIOD-TZIWHRDSSA-N 2 0 344.499 3.126 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ncco3)CC2)cc1 ZINC000924855047 1323189129 /nfs/dbraw/zinc/18/91/29/1323189129.db2.gz HWXMRYPKGSEHIM-HNNXBMFYSA-N 2 0 329.444 3.246 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001024211785 1323208330 /nfs/dbraw/zinc/20/83/30/1323208330.db2.gz ILCYFPYJAPPXBC-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2coc3ccccc23)CC1 ZINC000924953673 1323226947 /nfs/dbraw/zinc/22/69/47/1323226947.db2.gz SBOFMIWSHPRYRV-DLBZAZTESA-N 2 0 329.488 3.357 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2coc3ccccc23)CC1 ZINC000924953674 1323227388 /nfs/dbraw/zinc/22/73/88/1323227388.db2.gz SBOFMIWSHPRYRV-IAGOWNOFSA-N 2 0 329.488 3.357 20 0 EGADRP C[C@@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000925036598 1323252072 /nfs/dbraw/zinc/25/20/72/1323252072.db2.gz GKSDLSUNFJRFBF-OTYNDTSQSA-N 2 0 328.500 3.323 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024278725 1323256316 /nfs/dbraw/zinc/25/63/16/1323256316.db2.gz SGWLWIBJLRXPPY-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC000853097669 1323280235 /nfs/dbraw/zinc/28/02/35/1323280235.db2.gz CUBNTKOCASXWSF-OAQYLSRUSA-N 2 0 339.483 3.137 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024469650 1323424531 /nfs/dbraw/zinc/42/45/31/1323424531.db2.gz VGPOFGTWWFFLLM-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024812626 1323716311 /nfs/dbraw/zinc/71/63/11/1323716311.db2.gz QGFFWXFCYMZDOG-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024979768 1323812253 /nfs/dbraw/zinc/81/22/53/1323812253.db2.gz YISWUFSRFOFGMP-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(-c2nnc([C@H](C)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)o2)cc1C ZINC000931435760 1329116927 /nfs/dbraw/zinc/11/69/27/1329116927.db2.gz NPDAZYXIHCILHS-RYQLBKOJSA-N 2 0 340.471 3.298 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)C2)CC1 ZINC001025130622 1323910286 /nfs/dbraw/zinc/91/02/86/1323910286.db2.gz CWVNJXLWVDKOGB-AFMYVXGZSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001025168396 1323936672 /nfs/dbraw/zinc/93/66/72/1323936672.db2.gz BXKLHYANEPDHCR-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001025257516 1324064469 /nfs/dbraw/zinc/06/44/69/1324064469.db2.gz DXUHQNFMFQOTPN-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470402 1324314501 /nfs/dbraw/zinc/31/45/01/1324314501.db2.gz XCLPCIDQUNDPSF-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025485493 1324334461 /nfs/dbraw/zinc/33/44/61/1324334461.db2.gz NVUNJDMHYPZPIH-IAGOWNOFSA-N 2 0 340.471 3.131 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026492298 1324846175 /nfs/dbraw/zinc/84/61/75/1324846175.db2.gz IKEYHMLXYNNTCB-CTWPCTMYSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CCC3CCCCCC3)CC2)C1 ZINC001026605139 1324927658 /nfs/dbraw/zinc/92/76/58/1324927658.db2.gz FFCIUMNNOBEQSO-HDYDNRTBSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000925231524 1325088625 /nfs/dbraw/zinc/08/86/25/1325088625.db2.gz FHXSMWMQEDMXCT-LEWJYISDSA-N 2 0 346.563 3.479 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307515 1325089168 /nfs/dbraw/zinc/08/91/68/1325089168.db2.gz YXGVFDQKDRWANE-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000925238683 1325091167 /nfs/dbraw/zinc/09/11/67/1325091167.db2.gz AOEGBLZLUZKUTI-RTWAWAEBSA-N 2 0 341.499 3.426 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925286056 1325115167 /nfs/dbraw/zinc/11/51/67/1325115167.db2.gz YSKVDIKMRYRBGR-WMQCIHAUSA-N 2 0 345.531 3.042 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1 ZINC000925495318 1325176593 /nfs/dbraw/zinc/17/65/93/1325176593.db2.gz QCJHVNSPOGVUHX-SFHVURJKSA-N 2 0 329.513 3.176 20 0 EGADRP COc1ccc(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)c(OC)c1 ZINC000925517154 1325187192 /nfs/dbraw/zinc/18/71/92/1325187192.db2.gz MZTJJZKWTXFZIN-IBGZPJMESA-N 2 0 328.456 3.316 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN[C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925522057 1325188648 /nfs/dbraw/zinc/18/86/48/1325188648.db2.gz QMQDWLVOGFMHHD-VQTJNVASSA-N 2 0 327.516 3.163 20 0 EGADRP c1ccc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925539011 1325197882 /nfs/dbraw/zinc/19/78/82/1325197882.db2.gz XSVFDKVKROAVFO-UIFIKXQLSA-N 2 0 327.516 3.271 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000925598716 1325227869 /nfs/dbraw/zinc/22/78/69/1325227869.db2.gz TVVQTCDXFSCRIQ-LJQANCHMSA-N 2 0 343.446 3.015 20 0 EGADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925621546 1325235487 /nfs/dbraw/zinc/23/54/87/1325235487.db2.gz FBYYGMRKVVJHQH-UZLBHIALSA-N 2 0 327.472 3.142 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1 ZINC000925627566 1325238405 /nfs/dbraw/zinc/23/84/05/1325238405.db2.gz VXLBFUTYCJVJIY-MRXNPFEDSA-N 2 0 335.398 3.295 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1 ZINC000925675944 1325259397 /nfs/dbraw/zinc/25/93/97/1325259397.db2.gz IGPICGPKJWPIAL-NRFANRHFSA-N 2 0 339.483 3.093 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000925730641 1325273724 /nfs/dbraw/zinc/27/37/24/1325273724.db2.gz PLOHMPRHSHFRAU-RTBURBONSA-N 2 0 332.875 3.313 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839745 1325324285 /nfs/dbraw/zinc/32/42/85/1325324285.db2.gz DBVQPJSJNJMUFC-FDQGKXFDSA-N 2 0 335.879 3.179 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000925843796 1325325565 /nfs/dbraw/zinc/32/55/65/1325325565.db2.gz PGIPLHSJWPYFLY-GFOJFJKKSA-N 2 0 327.516 3.161 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001027235138 1325328533 /nfs/dbraw/zinc/32/85/33/1325328533.db2.gz LDGZSZKNEHSFHO-HXUWFJFHSA-N 2 0 349.563 3.271 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963633200 1325348879 /nfs/dbraw/zinc/34/88/79/1325348879.db2.gz NQCAWORCYZEFML-UHFFFAOYSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C2CCC([NH2+]CC3CCCC3)CC2)CC[N@@H+]1C ZINC000963838397 1325407683 /nfs/dbraw/zinc/40/76/83/1325407683.db2.gz XLQDWERIDXREJW-YUKKFIBKSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1cccc(-n2cnnc2)c1)[NH+]1CCCCC1 ZINC000926141155 1325445034 /nfs/dbraw/zinc/44/50/34/1325445034.db2.gz GUWLSYRRLCPGDO-IAGOWNOFSA-N 2 0 327.476 3.182 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C2CCC([NH2+]CC3CCCC3)CC2)CC1 ZINC000964034893 1325478926 /nfs/dbraw/zinc/47/89/26/1325478926.db2.gz GDEDVQCTNCMETR-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926249751 1325490999 /nfs/dbraw/zinc/49/09/99/1325490999.db2.gz DSSFLFNDYUZNRQ-DYESRHJHSA-N 2 0 326.484 3.311 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926275502 1325500497 /nfs/dbraw/zinc/50/04/97/1325500497.db2.gz PCZRPJHHWQRMTG-HNAYVOBHSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926290713 1325505803 /nfs/dbraw/zinc/50/58/03/1325505803.db2.gz QBWTYFCKSKIFCC-LBPRGKRZSA-N 2 0 336.373 3.316 20 0 EGADRP c1ccc(CON2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000926307242 1325509589 /nfs/dbraw/zinc/50/95/89/1325509589.db2.gz JPTBBZNWEZWAMU-UHFFFAOYSA-N 2 0 343.515 3.047 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926357580 1325526222 /nfs/dbraw/zinc/52/62/22/1325526222.db2.gz QNKAQMLSQJBACR-HNNXBMFYSA-N 2 0 329.488 3.418 20 0 EGADRP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926675474 1327661673 /nfs/dbraw/zinc/66/16/73/1327661673.db2.gz ACDWTDANVKMBHG-XUBOLADHSA-N 2 0 334.479 3.378 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027433277 1327670915 /nfs/dbraw/zinc/67/09/15/1327670915.db2.gz VXFBVVCIOZIALJ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(-n2cnnc2)c1 ZINC000926733653 1327691668 /nfs/dbraw/zinc/69/16/68/1327691668.db2.gz WLADLQQTRQRDJV-INIZCTEOSA-N 2 0 339.487 3.040 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2c(C)cccc2C)C1)[NH+](C)C ZINC001027462710 1327711375 /nfs/dbraw/zinc/71/13/75/1327711375.db2.gz BDUUEFNDFCNGAK-AZUAARDMSA-N 2 0 345.531 3.066 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2ncnn21 ZINC000926791636 1327719613 /nfs/dbraw/zinc/71/96/13/1327719613.db2.gz TURBGZKBDFRWQA-QFBILLFUSA-N 2 0 339.487 3.176 20 0 EGADRP CCN(C(=O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926882928 1327755226 /nfs/dbraw/zinc/75/52/26/1327755226.db2.gz ZXENGFCXLPMYIG-KRWDZBQOSA-N 2 0 339.483 3.452 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519568 1327792361 /nfs/dbraw/zinc/79/23/61/1327792361.db2.gz QGIQNHHNZWVQJN-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027602143 1327953880 /nfs/dbraw/zinc/95/38/80/1327953880.db2.gz MDBWADLJTMJCOL-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)[NH+]1CCCCCC1 ZINC000965347910 1327983344 /nfs/dbraw/zinc/98/33/44/1327983344.db2.gz RXOSEHOISOAQMX-WOLZCAMPSA-N 2 0 347.547 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CC2)C1 ZINC001027648778 1328029165 /nfs/dbraw/zinc/02/91/65/1328029165.db2.gz ZPTWVCYCHDKHQE-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027651147 1328032447 /nfs/dbraw/zinc/03/24/47/1328032447.db2.gz LPCOIVIHYXGJSM-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCCC2)CC[N@@H+]1C ZINC001027893141 1328357916 /nfs/dbraw/zinc/35/79/16/1328357916.db2.gz NVTPDWVBMBPMRE-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001027895386 1328360246 /nfs/dbraw/zinc/36/02/46/1328360246.db2.gz WPTAIUONOXDVEG-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001027963562 1328434489 /nfs/dbraw/zinc/43/44/89/1328434489.db2.gz AVZAODLBULLFNU-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[C@H](C[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000863315259 1329545804 /nfs/dbraw/zinc/54/58/04/1329545804.db2.gz QTNCYPMJFVKABJ-OXQOHEQNSA-N 2 0 349.519 3.009 20 0 EGADRP CC(=O)n1ncc2ccc(-c3cccc(C[NH+]4CCC([NH3+])CC4)c3)cc21 ZINC000863713993 1329576491 /nfs/dbraw/zinc/57/64/91/1329576491.db2.gz FXCKOVZCZKGYJS-UHFFFAOYSA-N 2 0 348.450 3.287 20 0 EGADRP CC(C)c1ncc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000865296254 1329684423 /nfs/dbraw/zinc/68/44/23/1329684423.db2.gz SJGNWDAZFJFFJP-UHFFFAOYSA-N 2 0 331.489 3.025 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001050618006 1348304372 /nfs/dbraw/zinc/30/43/72/1348304372.db2.gz OQKVROSFTVWVNX-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2cccnc2Br)CC1 ZINC000865476658 1329702798 /nfs/dbraw/zinc/70/27/98/1329702798.db2.gz QDURYZZEPZFVMM-UHFFFAOYSA-N 2 0 326.282 3.056 20 0 EGADRP COCCOc1cccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c1 ZINC000865715352 1329731862 /nfs/dbraw/zinc/73/18/62/1329731862.db2.gz PXFYJJGSDGRZIZ-UHFFFAOYSA-N 2 0 334.504 3.312 20 0 EGADRP c1nc2n(c1C[NH2+]CCC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000865717326 1329732183 /nfs/dbraw/zinc/73/21/83/1329732183.db2.gz ATAQJBLXDYFECS-UHFFFAOYSA-N 2 0 338.499 3.221 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@@H]1C ZINC000933368095 1329883417 /nfs/dbraw/zinc/88/34/17/1329883417.db2.gz IPRPOENIYVGNKF-DLBZAZTESA-N 2 0 347.503 3.210 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000933455299 1329890563 /nfs/dbraw/zinc/89/05/63/1329890563.db2.gz DCAMTCZURZERPB-NUJGCVRESA-N 2 0 349.544 3.120 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000933624619 1329907114 /nfs/dbraw/zinc/90/71/14/1329907114.db2.gz YBFPQJTVRUEFHG-QGZVFWFLSA-N 2 0 347.503 3.212 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000866336857 1330097989 /nfs/dbraw/zinc/09/79/89/1330097989.db2.gz NUNZIMFDWOHPLY-FPOVZHCZSA-N 2 0 339.483 3.135 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866466976 1330116030 /nfs/dbraw/zinc/11/60/30/1330116030.db2.gz QGYFMUKGXBLUBK-LUKYLMHMSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000866470071 1330116447 /nfs/dbraw/zinc/11/64/47/1330116447.db2.gz OQYLXYZVEQXGBP-KRWDZBQOSA-N 2 0 326.488 3.373 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000866666111 1330139765 /nfs/dbraw/zinc/13/97/65/1330139765.db2.gz NVGAAOOUCXXHGR-HZPDHXFCSA-N 2 0 341.455 3.172 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000939399362 1330430847 /nfs/dbraw/zinc/43/08/47/1330430847.db2.gz XEIHVVATHDOHDT-UYAOXDASSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC000939446551 1330437344 /nfs/dbraw/zinc/43/73/44/1330437344.db2.gz FHSUYIXJXUCLAJ-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)CC2(C)C)CC1 ZINC000940994786 1331288653 /nfs/dbraw/zinc/28/86/53/1331288653.db2.gz YXSJKNGITKWFEV-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093890 1331329540 /nfs/dbraw/zinc/32/95/40/1331329540.db2.gz UTUPFCBVFIIWBY-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821663 1332042118 /nfs/dbraw/zinc/04/21/18/1332042118.db2.gz GAJZFSQDIMXOSI-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946654080 1332871763 /nfs/dbraw/zinc/87/17/63/1332871763.db2.gz WFPSGZLUISGPPY-HDICACEKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361839 1333103175 /nfs/dbraw/zinc/10/31/75/1333103175.db2.gz RVQVZXYWGJCWRL-NVXWUHKLSA-N 2 0 349.544 3.359 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CC1CCCC1 ZINC000947437810 1333127808 /nfs/dbraw/zinc/12/78/08/1333127808.db2.gz SWZYYCYPVYTQAX-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552022 1333168858 /nfs/dbraw/zinc/16/88/58/1333168858.db2.gz QRSVTUIXXSSQEX-CRAIPNDOSA-N 2 0 342.487 3.353 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569392 1333175514 /nfs/dbraw/zinc/17/55/14/1333175514.db2.gz XFZPFHQPWFXFRI-MJGOQNOKSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCCC1 ZINC000947684945 1333222503 /nfs/dbraw/zinc/22/25/03/1333222503.db2.gz KMOQIVQWHJEWOZ-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000948245212 1333439343 /nfs/dbraw/zinc/43/93/43/1333439343.db2.gz NFEPGKHGFKWMMF-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000948246639 1333440265 /nfs/dbraw/zinc/44/02/65/1333440265.db2.gz ZGRZIKIISJGYHJ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591478 1333588074 /nfs/dbraw/zinc/58/80/74/1333588074.db2.gz YFITXYRSKYFGCD-AEFFLSMTSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620784 1333599350 /nfs/dbraw/zinc/59/93/50/1333599350.db2.gz HYDSWBKYQUIWOF-GOSISDBHSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643179 1333609174 /nfs/dbraw/zinc/60/91/74/1333609174.db2.gz RLZJMPMFXWHHJQ-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948741453 1333655024 /nfs/dbraw/zinc/65/50/24/1333655024.db2.gz BVIQNDSHBXIDRP-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767558 1333670885 /nfs/dbraw/zinc/67/08/85/1333670885.db2.gz YGBABVMJAKFWKS-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948776079 1333674352 /nfs/dbraw/zinc/67/43/52/1333674352.db2.gz YTRUPHFAEXCCHW-QUCCMNQESA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948775545 1333674373 /nfs/dbraw/zinc/67/43/73/1333674373.db2.gz KVGYSZXCJFBLAL-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948828973 1333701316 /nfs/dbraw/zinc/70/13/16/1333701316.db2.gz ALDWKLAYLRZKIS-RTBURBONSA-N 2 0 337.552 3.364 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 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KPLCHLHRNDPPTA-UUKMXZOPSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001030014913 1341158528 /nfs/dbraw/zinc/15/85/28/1341158528.db2.gz TYCVCUJOIXITRH-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001030441807 1341187857 /nfs/dbraw/zinc/18/78/57/1341187857.db2.gz GSTBKFFWGYBJOS-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001031235189 1341301481 /nfs/dbraw/zinc/30/14/81/1341301481.db2.gz PPHNWRMZQJHBEX-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001031254574 1341304231 /nfs/dbraw/zinc/30/42/31/1341304231.db2.gz VNKMVQVSKHYSFU-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001031715589 1341392075 /nfs/dbraw/zinc/39/20/75/1341392075.db2.gz WSEZAGPMOCEWJP-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCC1 ZINC001032664159 1341576142 /nfs/dbraw/zinc/57/61/42/1341576142.db2.gz SZUAPWFDMUWRAV-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1 ZINC001032802043 1341619023 /nfs/dbraw/zinc/61/90/23/1341619023.db2.gz PUTBWAVEIJGANT-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033072988 1341716025 /nfs/dbraw/zinc/71/60/25/1341716025.db2.gz OJXDKOOEASFFEM-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033474918 1341840784 /nfs/dbraw/zinc/84/07/84/1341840784.db2.gz KYUKWBSDPKZRBI-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001033530457 1341860215 /nfs/dbraw/zinc/86/02/15/1341860215.db2.gz BCSOJCFRHNHLTO-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001033546829 1341865630 /nfs/dbraw/zinc/86/56/30/1341865630.db2.gz GHJHPMPLOJGDHG-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001033570511 1341878439 /nfs/dbraw/zinc/87/84/39/1341878439.db2.gz BAGWVHYANNQWBV-RBUKOAKNSA-N 2 0 335.536 3.140 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033825143 1342026161 /nfs/dbraw/zinc/02/61/61/1342026161.db2.gz AQOSHLBKFWAMIR-QZTJIDSGSA-N 2 0 349.544 3.044 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001033834295 1342034059 /nfs/dbraw/zinc/03/40/59/1342034059.db2.gz FLGMVQSPGAZRJH-GBESFXJTSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033932347 1342096752 /nfs/dbraw/zinc/09/67/52/1342096752.db2.gz LRGPKCFOJFZEAI-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075459138 1356392996 /nfs/dbraw/zinc/39/29/96/1356392996.db2.gz ZSSFLCIOBBCXEQ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034205141 1342316671 /nfs/dbraw/zinc/31/66/71/1342316671.db2.gz STZZDCDODSGLKS-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034212980 1342322617 /nfs/dbraw/zinc/32/26/17/1342322617.db2.gz SOAFPXIHLQRSPC-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034238489 1342339570 /nfs/dbraw/zinc/33/95/70/1342339570.db2.gz CQOSFXGMWACWHH-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034239218 1342340316 /nfs/dbraw/zinc/34/03/16/1342340316.db2.gz JFFURCRCTPIRJE-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001034291310 1342377346 /nfs/dbraw/zinc/37/73/46/1342377346.db2.gz SZKSCSHGESWEGZ-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034361789 1342432859 /nfs/dbraw/zinc/43/28/59/1342432859.db2.gz SCFRMZNCEVGVJH-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001034379197 1342449063 /nfs/dbraw/zinc/44/90/63/1342449063.db2.gz BYKPWVZREBVQBL-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001034379156 1342449760 /nfs/dbraw/zinc/44/97/60/1342449760.db2.gz BOYZIFNSPWSZJG-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034432911 1342495256 /nfs/dbraw/zinc/49/52/56/1342495256.db2.gz AASRUUFAYVBDNC-RTBURBONSA-N 2 0 335.536 3.186 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444334 1342504476 /nfs/dbraw/zinc/50/44/76/1342504476.db2.gz FOFBPQHCANKLRG-FXAWDEMLSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC3CCCC3)C2)CC1 ZINC001034475011 1342530926 /nfs/dbraw/zinc/53/09/26/1342530926.db2.gz OPNRSSUEVAJLLT-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034480047 1342536769 /nfs/dbraw/zinc/53/67/69/1342536769.db2.gz DYHAMGTZTHJUIL-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@H+](CCC3CC3)C2)c1 ZINC001034536327 1342592368 /nfs/dbraw/zinc/59/23/68/1342592368.db2.gz FHEIEONGSYEBFF-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538037 1342594880 /nfs/dbraw/zinc/59/48/80/1342594880.db2.gz PYSCOFKHPDOAQJ-MOPGFXCFSA-N 2 0 349.494 3.081 20 0 EGADRP CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001034643736 1342668687 /nfs/dbraw/zinc/66/86/87/1342668687.db2.gz FFNWEUOSCKMHNS-NZKYNAJMSA-N 2 0 349.563 3.314 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001034673972 1342685869 /nfs/dbraw/zinc/68/58/69/1342685869.db2.gz IGJWIPQVIWTAMR-WFAGLZIHSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001034698482 1342697863 /nfs/dbraw/zinc/69/78/63/1342697863.db2.gz MNQRPIQXNQUOMG-VAMGGRTRSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001034714579 1342710894 /nfs/dbraw/zinc/71/08/94/1342710894.db2.gz AJPPVNFNRKLEFV-LEAZDLGRSA-N 2 0 347.547 3.234 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001034714711 1342710963 /nfs/dbraw/zinc/71/09/63/1342710963.db2.gz GJMUMSYGPXJKLD-LEAZDLGRSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034737951 1342729254 /nfs/dbraw/zinc/72/92/54/1342729254.db2.gz PDYJOWIYNZPGFL-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034738851 1342729621 /nfs/dbraw/zinc/72/96/21/1342729621.db2.gz WIYBGWNYEAEHCQ-LEAZDLGRSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1ccccc1 ZINC001034738884 1342729800 /nfs/dbraw/zinc/72/98/00/1342729800.db2.gz XGHNJQLKMIJKKE-ZULIPRJHSA-N 2 0 343.515 3.249 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034796587 1342763407 /nfs/dbraw/zinc/76/34/07/1342763407.db2.gz JXLQBJYPEXENTB-JOCBIADPSA-N 2 0 349.544 3.138 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034959441 1342853207 /nfs/dbraw/zinc/85/32/07/1342853207.db2.gz YTMXPKNVLMUECL-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001035067589 1342909265 /nfs/dbraw/zinc/90/92/65/1342909265.db2.gz XCLLZVDTXJHTQM-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188078 1343002314 /nfs/dbraw/zinc/00/23/14/1343002314.db2.gz QOKYYXOCQJMTQT-CEXWTWQISA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196047 1343009620 /nfs/dbraw/zinc/00/96/20/1343009620.db2.gz QCHZJXURSUWNOX-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035204801 1343019550 /nfs/dbraw/zinc/01/95/50/1343019550.db2.gz CJGDEKTVVCSUHN-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035222262 1343043867 /nfs/dbraw/zinc/04/38/67/1343043867.db2.gz BWVAKJJXAYCUDB-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244076 1343065103 /nfs/dbraw/zinc/06/51/03/1343065103.db2.gz ILWPFMDJZRASSI-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035247218 1343070715 /nfs/dbraw/zinc/07/07/15/1343070715.db2.gz TXYBWLCIYRBORL-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+](CC3CCC(C)CC3)C2)CC1)[NH+](C)C ZINC001035732487 1343158822 /nfs/dbraw/zinc/15/88/22/1343158822.db2.gz BNRUHIDBJYOYON-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036193339 1343356452 /nfs/dbraw/zinc/35/64/52/1343356452.db2.gz MKNHYQAUTZROOJ-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036408684 1343469517 /nfs/dbraw/zinc/46/95/17/1343469517.db2.gz FYTNGPQNSDXECT-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001037045571 1343946878 /nfs/dbraw/zinc/94/68/78/1343946878.db2.gz WQEGQYUPSYLZDY-APWZRJJASA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001037072352 1343966467 /nfs/dbraw/zinc/96/64/67/1343966467.db2.gz VIMITKFCRHQDCU-UXHICEINSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1CC ZINC001037989670 1344223384 /nfs/dbraw/zinc/22/33/84/1344223384.db2.gz GXNWFIQAPMOTJI-WMZOPIPTSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038241418 1344339482 /nfs/dbraw/zinc/33/94/82/1344339482.db2.gz TXLSYGLKBXMEPC-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001038268247 1344349752 /nfs/dbraw/zinc/34/97/52/1344349752.db2.gz DHWSMZHMWCQYKA-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038320200 1344378522 /nfs/dbraw/zinc/37/85/22/1344378522.db2.gz HGXYLUYJENJQSG-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038443019 1344429578 /nfs/dbraw/zinc/42/95/78/1344429578.db2.gz FXCLPPLGIKTNSA-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038467331 1344437584 /nfs/dbraw/zinc/43/75/84/1344437584.db2.gz ZHKAEQTZTAPWIG-AZUAARDMSA-N 2 0 348.450 3.290 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620145 1344508044 /nfs/dbraw/zinc/50/80/44/1344508044.db2.gz CDFUIVDOAUQDCC-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620155 1344508098 /nfs/dbraw/zinc/50/80/98/1344508098.db2.gz CDFUIVDOAUQDCC-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001039051789 1344736397 /nfs/dbraw/zinc/73/63/97/1344736397.db2.gz YYPNSRQDOVCDKE-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039133895 1344812676 /nfs/dbraw/zinc/81/26/76/1344812676.db2.gz LXOFIJVBIXKRTI-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152949 1344836721 /nfs/dbraw/zinc/83/67/21/1344836721.db2.gz MCSJWKOAPQULRG-YSIASYRMSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167566 1344854737 /nfs/dbraw/zinc/85/47/37/1344854737.db2.gz XSFZZQSMCMAHJB-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039278070 1344994041 /nfs/dbraw/zinc/99/40/41/1344994041.db2.gz YZURYGDUZXQSMH-ALOPSCKCSA-N 2 0 349.544 3.333 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039387173 1345039742 /nfs/dbraw/zinc/03/97/42/1345039742.db2.gz WGMQSASVLZRYAE-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401965 1345048426 /nfs/dbraw/zinc/04/84/26/1345048426.db2.gz YSZVAZXCSIIAQL-MSOLQXFVSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474330 1345089174 /nfs/dbraw/zinc/08/91/74/1345089174.db2.gz BTQVKDKQWGLUNK-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@H](C)CC)C1 ZINC001039861133 1345217307 /nfs/dbraw/zinc/21/73/07/1345217307.db2.gz XMRBIORCVVOPSK-WCIQWLHISA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001040014975 1345288347 /nfs/dbraw/zinc/28/83/47/1345288347.db2.gz VJBGWHPHMFMTGP-CADBVGFASA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040202049 1345373457 /nfs/dbraw/zinc/37/34/57/1345373457.db2.gz PGGLUEMRAYEZSL-TZIWHRDSSA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040370126 1345459329 /nfs/dbraw/zinc/45/93/29/1345459329.db2.gz XDGUZMJXEFXICC-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545931 1345540470 /nfs/dbraw/zinc/54/04/70/1345540470.db2.gz YUEJOUSYJPQQIA-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040725098 1345571465 /nfs/dbraw/zinc/57/14/65/1345571465.db2.gz XGBCEEVPNBIAAH-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3=CCCCC3)C2)C1)[NH+](C)C ZINC001041688321 1345820411 /nfs/dbraw/zinc/82/04/11/1345820411.db2.gz UHWSKERSOIHNCK-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297103 1346021588 /nfs/dbraw/zinc/02/15/88/1346021588.db2.gz LYRVNTCLJMIEMH-QUCCMNQESA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H](C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001044003723 1346232137 /nfs/dbraw/zinc/23/21/37/1346232137.db2.gz RGAHEWSJHKLXKX-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCC2CCCCC2)C1 ZINC001044183918 1346267790 /nfs/dbraw/zinc/26/77/90/1346267790.db2.gz WMFRLDUICAYONS-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)cs1 ZINC001044630786 1346388073 /nfs/dbraw/zinc/38/80/73/1346388073.db2.gz YXFXOSIAAKYARK-PBHICJAKSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001044680784 1346402064 /nfs/dbraw/zinc/40/20/64/1346402064.db2.gz HQMVQJFMKOITOE-MAUKXSAKSA-N 2 0 340.471 3.107 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC001044807206 1346432014 /nfs/dbraw/zinc/43/20/14/1346432014.db2.gz IBKAGLOVQYDMFG-YLJYHZDGSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857433 1346447049 /nfs/dbraw/zinc/44/70/49/1346447049.db2.gz JOMDLHLJGDFSLW-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC(C)C)C[C@@H]2C)o1 ZINC001044878252 1346453103 /nfs/dbraw/zinc/45/31/03/1346453103.db2.gz LGETXNPQQLICOP-IRXDYDNUSA-N 2 0 349.519 3.360 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)C1CCC1 ZINC001045070685 1346489639 /nfs/dbraw/zinc/48/96/39/1346489639.db2.gz QZGZGTGGGWIOSK-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045106427 1346495551 /nfs/dbraw/zinc/49/55/51/1346495551.db2.gz MZJVIVFNVOSKJA-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001045312104 1346556061 /nfs/dbraw/zinc/55/60/61/1346556061.db2.gz WMPPUDCRZXSMGP-OALUTQOASA-N 2 0 343.515 3.041 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CCC(C)(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001045390268 1346580689 /nfs/dbraw/zinc/58/06/89/1346580689.db2.gz PQOAASARMVAOGG-IEBWSBKVSA-N 2 0 343.515 3.121 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCCC2)CC1 ZINC001045390997 1346580754 /nfs/dbraw/zinc/58/07/54/1346580754.db2.gz YLUAHZIXFYDUGS-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1c(C(=O)NC2(C)CC[NH+](CC3CCC3)CC2)ccc2c[nH+]cn21 ZINC001045491440 1346607774 /nfs/dbraw/zinc/60/77/74/1346607774.db2.gz XFPGXUDLDSRTSQ-UHFFFAOYSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045647145 1346658147 /nfs/dbraw/zinc/65/81/47/1346658147.db2.gz UITZJTZRFDHNGP-UHFFFAOYSA-N 2 0 343.515 3.299 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2(C)CC[NH+](CC3CC3)CC2)o1 ZINC001045650588 1346659804 /nfs/dbraw/zinc/65/98/04/1346659804.db2.gz FVMDHBYOUDWHTE-UHFFFAOYSA-N 2 0 347.503 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)CCC1 ZINC001045792439 1346699495 /nfs/dbraw/zinc/69/94/95/1346699495.db2.gz BVNHAINXQIMFJJ-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045941653 1346777193 /nfs/dbraw/zinc/77/71/93/1346777193.db2.gz KRHKZEUITPXBKR-OAQYLSRUSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943493 1346778995 /nfs/dbraw/zinc/77/89/95/1346778995.db2.gz JIWDLAUUAWEQBF-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943495 1346779002 /nfs/dbraw/zinc/77/90/02/1346779002.db2.gz JIWDLAUUAWEQBF-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943468 1346779287 /nfs/dbraw/zinc/77/92/87/1346779287.db2.gz IWOSMCTXPSFHGX-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045948636 1346784044 /nfs/dbraw/zinc/78/40/44/1346784044.db2.gz NCHFHGTZVKBZCX-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001045967030 1346802268 /nfs/dbraw/zinc/80/22/68/1346802268.db2.gz LJPRXUNXHVJHPP-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046368446 1346952318 /nfs/dbraw/zinc/95/23/18/1346952318.db2.gz CHGLKZGSSSEBIB-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483424 1346990824 /nfs/dbraw/zinc/99/08/24/1346990824.db2.gz AANGHQYNHYOKLW-IIBYNOLFSA-N 2 0 348.450 3.290 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001046569886 1347022282 /nfs/dbraw/zinc/02/22/82/1347022282.db2.gz PPTMUNKBFPTHSQ-HFSMHLIXSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C3CC[NH+](C(C)C)CC3)C2)CC[N@@H+]1C ZINC001047241072 1347266863 /nfs/dbraw/zinc/26/68/63/1347266863.db2.gz KKNKSLNZZAWRDA-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047244413 1347269689 /nfs/dbraw/zinc/26/96/89/1347269689.db2.gz RJLQHJZTHXZBTH-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047265998 1347286815 /nfs/dbraw/zinc/28/68/15/1347286815.db2.gz NNIZECVKBWMACM-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001047266426 1347287398 /nfs/dbraw/zinc/28/73/98/1347287398.db2.gz WZNULGDBEFEYGC-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001047863395 1347393358 /nfs/dbraw/zinc/39/33/58/1347393358.db2.gz CUXVOGSSWNOSSX-SJLPKXTDSA-N 2 0 346.519 3.139 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700587 1357350848 /nfs/dbraw/zinc/35/08/48/1357350848.db2.gz FBGZODUGHCLZNK-WSTZPKSXSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047987462 1347435108 /nfs/dbraw/zinc/43/51/08/1347435108.db2.gz BISOHVWUPKILLT-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048070147 1347458815 /nfs/dbraw/zinc/45/88/15/1347458815.db2.gz ZKQBFKSHKSAZPP-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048340313 1347523353 /nfs/dbraw/zinc/52/33/53/1347523353.db2.gz QSDBJJUXCRPFHT-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048530759 1347579638 /nfs/dbraw/zinc/57/96/38/1347579638.db2.gz AZCMERQOFLNJAY-IYWMVGAKSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574187 1347599925 /nfs/dbraw/zinc/59/99/25/1347599925.db2.gz RRYGYJINMDEHCC-UHZRXMQZSA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC ZINC001048584188 1347606544 /nfs/dbraw/zinc/60/65/44/1347606544.db2.gz VNIUUEUXWACQBN-RDGPPVDQSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048589984 1347609100 /nfs/dbraw/zinc/60/91/00/1347609100.db2.gz GRYZTBONPSWTTB-YRPNKDGESA-N 2 0 347.547 3.186 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC2=CCCCC2)CCC1 ZINC001049518791 1347888283 /nfs/dbraw/zinc/88/82/83/1347888283.db2.gz VTZFSHYLIQIHRF-RBUKOAKNSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1)C1CCC1 ZINC001049522037 1347889858 /nfs/dbraw/zinc/88/98/58/1347889858.db2.gz NZQVGUNHAZFFKA-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001049531589 1347894677 /nfs/dbraw/zinc/89/46/77/1347894677.db2.gz CJWWGGVJGBMRRH-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561535 1347910018 /nfs/dbraw/zinc/91/00/18/1347910018.db2.gz MLFRZURVPLTFTQ-OALUTQOASA-N 2 0 340.471 3.122 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589747 1347925456 /nfs/dbraw/zinc/92/54/56/1347925456.db2.gz BNCFZXPPUGTXGS-RBUKOAKNSA-N 2 0 340.471 3.059 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCC(C)C)C1 ZINC001049661961 1347961271 /nfs/dbraw/zinc/96/12/71/1347961271.db2.gz CNFQCKAZIYFIRC-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCC(C)C)C1 ZINC001049661968 1347961531 /nfs/dbraw/zinc/96/15/31/1347961531.db2.gz CNFQCKAZIYFIRC-ZCNNSNEGSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716670 1347989008 /nfs/dbraw/zinc/98/90/08/1347989008.db2.gz GDRIROBDHWURPA-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806978 1348029238 /nfs/dbraw/zinc/02/92/38/1348029238.db2.gz QIQFBDXDTBQXTD-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1 ZINC001049892797 1348096346 /nfs/dbraw/zinc/09/63/46/1348096346.db2.gz AHIBCXHTUCKTLU-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919393 1348112988 /nfs/dbraw/zinc/11/29/88/1348112988.db2.gz OVLHACQPTKDIPG-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21)[NH+](C)C ZINC001050074561 1348173133 /nfs/dbraw/zinc/17/31/33/1348173133.db2.gz LLJISAODRRHHCW-IJXRJRJASA-N 2 0 343.515 3.011 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138500 1348194029 /nfs/dbraw/zinc/19/40/29/1348194029.db2.gz GYRHGHYUWWZXME-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CC1CC1)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001050270765 1348224340 /nfs/dbraw/zinc/22/43/40/1348224340.db2.gz YTMFIBDGZCESLH-FTRWYGJKSA-N 2 0 343.515 3.094 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001050343969 1348232516 /nfs/dbraw/zinc/23/25/16/1348232516.db2.gz KOGGYOWHBXGBSS-SAABIXHNSA-N 2 0 340.471 3.013 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001050367234 1348240502 /nfs/dbraw/zinc/24/05/02/1348240502.db2.gz JKPJYODEHOKXEV-LNLFQRSKSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050766589 1348352332 /nfs/dbraw/zinc/35/23/32/1348352332.db2.gz SDIKBRKAXYNQDW-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001051356342 1348442396 /nfs/dbraw/zinc/44/23/96/1348442396.db2.gz BIBCSGUTCUITKQ-LZQZEXGQSA-N 2 0 349.494 3.198 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCC2)CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001052447539 1348543796 /nfs/dbraw/zinc/54/37/96/1348543796.db2.gz GZIRPSZXLXSBMB-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052446996 1348543860 /nfs/dbraw/zinc/54/38/60/1348543860.db2.gz VHBPSLJLTLXJLZ-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001052764716 1348669398 /nfs/dbraw/zinc/66/93/98/1348669398.db2.gz RJXUAROYFGSULW-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)CC2)cc1 ZINC001052787040 1348679540 /nfs/dbraw/zinc/67/95/40/1348679540.db2.gz HEOUTIGROVARQS-VZCJILNPSA-N 2 0 349.906 3.085 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052872021 1348712877 /nfs/dbraw/zinc/71/28/77/1348712877.db2.gz ULEPMQSLTBVJOX-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933771 1348754387 /nfs/dbraw/zinc/75/43/87/1348754387.db2.gz FNCCHNROFPHJQQ-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052956562 1348770419 /nfs/dbraw/zinc/77/04/19/1348770419.db2.gz UUJGMVMDVTYBKD-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956873 1348770754 /nfs/dbraw/zinc/77/07/54/1348770754.db2.gz BDJVHZNLKNHVGN-SFHVURJKSA-N 2 0 331.504 3.133 20 0 EGADRP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CCCCC2)CC1 ZINC001052983698 1348788781 /nfs/dbraw/zinc/78/87/81/1348788781.db2.gz CQOOEFPGMRIMNA-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046362 1348848516 /nfs/dbraw/zinc/84/85/16/1348848516.db2.gz JMWMHTDLLIDSHC-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159457 1349161217 /nfs/dbraw/zinc/16/12/17/1349161217.db2.gz VSWNPXXMLJNQEO-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(C)C)C3)C2)C1 ZINC001054182930 1349185964 /nfs/dbraw/zinc/18/59/64/1349185964.db2.gz UOIVWNGJNNVRKX-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214198 1349214319 /nfs/dbraw/zinc/21/43/19/1349214319.db2.gz SXDHPHNIMJBNTB-NRFANRHFSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054242456 1349235667 /nfs/dbraw/zinc/23/56/67/1349235667.db2.gz AKCJGQQRYYDQMJ-OAQYLSRUSA-N 2 0 343.515 3.085 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054244577 1349238666 /nfs/dbraw/zinc/23/86/66/1349238666.db2.gz HHAMBSMXUJLYMZ-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270495 1349269199 /nfs/dbraw/zinc/26/91/99/1349269199.db2.gz PFPKAPUKZJMXQB-OXJNMPFZSA-N 2 0 343.515 3.149 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054290009 1349294544 /nfs/dbraw/zinc/29/45/44/1349294544.db2.gz YNVIYHBTYZSVHY-PXNSSMCTSA-N 2 0 343.515 3.149 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001054297552 1349301724 /nfs/dbraw/zinc/30/17/24/1349301724.db2.gz RDEHJBVOWAGAES-SXLOBPIMSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001054298426 1349302521 /nfs/dbraw/zinc/30/25/21/1349302521.db2.gz NOSWXCMPJSMNQT-QYZOEREBSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC001054854572 1349489434 /nfs/dbraw/zinc/48/94/34/1349489434.db2.gz WGQHUGQPJJPHQW-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329870 1357575115 /nfs/dbraw/zinc/57/51/15/1357575115.db2.gz ULNXHHOMUKUMGP-LCLWPZTBSA-N 2 0 347.547 3.044 20 0 EGADRP CCC[N@@H+](Cc1cc(Br)cc(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844656 1376965172 /nfs/dbraw/zinc/96/51/72/1376965172.db2.gz XGPWARAXBXWKLN-CYBMUJFWSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554541 1357677131 /nfs/dbraw/zinc/67/71/31/1357677131.db2.gz VAFMXWXKLUOJAL-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554600 1357677324 /nfs/dbraw/zinc/67/73/24/1357677324.db2.gz XKNQSIBIZNEKJY-ZHALLVOQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558885 1357678687 /nfs/dbraw/zinc/67/86/87/1357678687.db2.gz JQGYELFRYXEUOQ-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001183082207 1387259518 /nfs/dbraw/zinc/25/95/18/1387259518.db2.gz NOKKSSJWIXPJCS-YLJYHZDGSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001323016355 1387266844 /nfs/dbraw/zinc/26/68/44/1387266844.db2.gz WEUXUTNALPBLGS-LPHOPBHVSA-N 2 0 343.515 3.025 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001080756025 1357733669 /nfs/dbraw/zinc/73/36/69/1357733669.db2.gz GINIMNPOTRZZQA-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@@H+]1CC1CCCC1 ZINC001071600060 1354787702 /nfs/dbraw/zinc/78/77/02/1354787702.db2.gz FMGJMLMVCDUGEU-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071701668 1354859955 /nfs/dbraw/zinc/85/99/55/1354859955.db2.gz MCTBZGGUIHDFON-IEBWSBKVSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CCCCC1 ZINC001071735337 1354887007 /nfs/dbraw/zinc/88/70/07/1354887007.db2.gz KNISQLFONWMKFL-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071735086 1354887682 /nfs/dbraw/zinc/88/76/82/1354887682.db2.gz GBYJPHIXJXNZDI-WMZOPIPTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1CC1CCC1 ZINC001071898197 1355013872 /nfs/dbraw/zinc/01/38/72/1355013872.db2.gz XATBZTBTOBPEAZ-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CCC1CCCCC1 ZINC001071996835 1355065786 /nfs/dbraw/zinc/06/57/86/1355065786.db2.gz VMKGPACHWPOVEX-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(CC)CC)C3)C1 ZINC001072907782 1355491607 /nfs/dbraw/zinc/49/16/07/1355491607.db2.gz YGBWRJDAZWCEKE-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001073033416 1355561896 /nfs/dbraw/zinc/56/18/96/1355561896.db2.gz LHLFOEZIWULXOD-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001074050515 1356054493 /nfs/dbraw/zinc/05/44/93/1356054493.db2.gz GGILOQSQNHCNIF-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C)c1 ZINC001074809668 1356249566 /nfs/dbraw/zinc/24/95/66/1356249566.db2.gz YAQQVJQJMFKWBG-ZULIPRJHSA-N 2 0 343.515 3.119 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H]1C ZINC001074878003 1356276924 /nfs/dbraw/zinc/27/69/24/1356276924.db2.gz VXCNKMZRGDVGRZ-AOIWGVFYSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461519 1356395376 /nfs/dbraw/zinc/39/53/76/1356395376.db2.gz JZQJAWUUQXHZSD-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1)[NH+](C)C ZINC001099126398 1363639156 /nfs/dbraw/zinc/63/91/56/1363639156.db2.gz RVPTWUPQICFVRA-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082612437 1358066025 /nfs/dbraw/zinc/06/60/25/1358066025.db2.gz NWWJQDWAPMSHCC-RLLQIKCJSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001183517018 1387316040 /nfs/dbraw/zinc/31/60/40/1387316040.db2.gz KTVMGOJYVMEHJZ-YLJYHZDGSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001084639553 1358265611 /nfs/dbraw/zinc/26/56/11/1358265611.db2.gz XHCVTZFNOJOIML-VAMGGRTRSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCCC3CCC3)[C@H]2C1)[NH+](C)C ZINC001085025367 1358370834 /nfs/dbraw/zinc/37/08/34/1358370834.db2.gz WMCHCJZZHONXDV-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(C)C)[C@H]2C1 ZINC001085072755 1358383825 /nfs/dbraw/zinc/38/38/25/1358383825.db2.gz SXVFFWCQRGGDJY-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001085295729 1358455689 /nfs/dbraw/zinc/45/56/89/1358455689.db2.gz WLGNIKBJHLNTHS-RTBURBONSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)[NH+]1CCCC1 ZINC001085295373 1358455892 /nfs/dbraw/zinc/45/58/92/1358455892.db2.gz DCVIMUGROYFOLV-RTBURBONSA-N 2 0 343.515 3.078 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085352363 1358475982 /nfs/dbraw/zinc/47/59/82/1358475982.db2.gz DEWMHUHEIHGJQX-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085352293 1358476071 /nfs/dbraw/zinc/47/60/71/1358476071.db2.gz AMBYYAPDJHCDGB-AQNXPRMDSA-N 2 0 349.563 3.457 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)CC1 ZINC001085353099 1358476317 /nfs/dbraw/zinc/47/63/17/1358476317.db2.gz NDHFBBRKVKDQNS-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)C1 ZINC001085394215 1358487590 /nfs/dbraw/zinc/48/75/90/1358487590.db2.gz ZZXKWDJBAHAVSA-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085432934 1358498153 /nfs/dbraw/zinc/49/81/53/1358498153.db2.gz XLZCIZHUWXBOCD-QRVBRYPASA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085593575 1358620126 /nfs/dbraw/zinc/62/01/26/1358620126.db2.gz MITYCVHQGLFQLY-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085778941 1358753448 /nfs/dbraw/zinc/75/34/48/1358753448.db2.gz KMINZHQYFMRBJR-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782251 1358757403 /nfs/dbraw/zinc/75/74/03/1358757403.db2.gz PXKIOPPZIPGZRB-RTBURBONSA-N 2 0 335.536 3.116 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCCC2)CC[N@@H+]1C ZINC001085783119 1358758027 /nfs/dbraw/zinc/75/80/27/1358758027.db2.gz NCHOQVVMZMSTPS-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1CCCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798837 1358774238 /nfs/dbraw/zinc/77/42/38/1358774238.db2.gz BMOMGSHTDIKSNQ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001086221684 1359031809 /nfs/dbraw/zinc/03/18/09/1359031809.db2.gz FMVYAJQJJNDVOM-YRPNKDGESA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001086222100 1359031928 /nfs/dbraw/zinc/03/19/28/1359031928.db2.gz ZSUJKPIZVFKBMQ-WCIQWLHISA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001086399732 1359087457 /nfs/dbraw/zinc/08/74/57/1359087457.db2.gz KMEFKFOFDRQYFF-WTGUMLROSA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086558546 1359145029 /nfs/dbraw/zinc/14/50/29/1359145029.db2.gz AEHYXCADCNLQLF-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)c1 ZINC001086558263 1359145127 /nfs/dbraw/zinc/14/51/27/1359145127.db2.gz YLOXKEWVJHXIED-KESTWPANSA-N 2 0 343.515 3.036 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086711866 1359190043 /nfs/dbraw/zinc/19/00/43/1359190043.db2.gz FOGFSOOYLJODLB-QXAKKESOSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001086786280 1359201140 /nfs/dbraw/zinc/20/11/40/1359201140.db2.gz SVEJRCSAFUAXRS-FRYIKTPZSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087176691 1359313454 /nfs/dbraw/zinc/31/34/54/1359313454.db2.gz LCESLOZBPVMULP-HOJAQTOUSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCC(C)(C)C ZINC001087621075 1359558621 /nfs/dbraw/zinc/55/86/21/1359558621.db2.gz HKEHVOWVOTZIGI-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@@H+]1CC1CCC1 ZINC001087634436 1359564755 /nfs/dbraw/zinc/56/47/55/1359564755.db2.gz FIYFWPZKQGFMTD-RBUKOAKNSA-N 2 0 340.471 3.026 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C/C=C\Cl ZINC001087762870 1359633150 /nfs/dbraw/zinc/63/31/50/1359633150.db2.gz RNEHAMWNWMCAEI-KIAIORRVSA-N 2 0 349.906 3.083 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840986 1359674616 /nfs/dbraw/zinc/67/46/16/1359674616.db2.gz XTYDEHBQMNEUBP-FFZOFVMBSA-N 2 0 345.531 3.377 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001088373682 1359854825 /nfs/dbraw/zinc/85/48/25/1359854825.db2.gz LWUHBJJMFOUQMR-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001088410745 1359882563 /nfs/dbraw/zinc/88/25/63/1359882563.db2.gz PPFCALIBTSAQPX-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001088431505 1359898734 /nfs/dbraw/zinc/89/87/34/1359898734.db2.gz YCZZJLBIEFLNNC-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001088431506 1359899008 /nfs/dbraw/zinc/89/90/08/1359899008.db2.gz YCZZJLBIEFLNNC-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CCC(C)CC1 ZINC001088702799 1360016199 /nfs/dbraw/zinc/01/61/99/1360016199.db2.gz JVPGWPUVPVSBLI-CHPDAQJUSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(CC)CC)[C@@H]2C)C1 ZINC001088810069 1360059456 /nfs/dbraw/zinc/05/94/56/1360059456.db2.gz CPCOGUCGLFZTLY-NEWSRXKRSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001089060987 1360152941 /nfs/dbraw/zinc/15/29/41/1360152941.db2.gz RGFDGWWRRLEGIB-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCC2)C1 ZINC001089185232 1360235557 /nfs/dbraw/zinc/23/55/57/1360235557.db2.gz CPVRTMZWTRQANH-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1C)[NH+](C)C ZINC001089192515 1360241174 /nfs/dbraw/zinc/24/11/74/1360241174.db2.gz YABQALNLBAYPPX-VQTJNVASSA-N 2 0 345.531 3.148 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCCC2)CC1 ZINC001089245720 1360280526 /nfs/dbraw/zinc/28/05/26/1360280526.db2.gz GJFMEPVUPCWBRQ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392495 1360392931 /nfs/dbraw/zinc/39/29/31/1360392931.db2.gz VPOHAMWEQXYXDJ-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407088 1360405293 /nfs/dbraw/zinc/40/52/93/1360405293.db2.gz VZMGYWTXQPPAAN-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457560 1360444215 /nfs/dbraw/zinc/44/42/15/1360444215.db2.gz BGGVNDHEMLMTRY-SFHVURJKSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089492353 1360470132 /nfs/dbraw/zinc/47/01/32/1360470132.db2.gz HHWQINPZUYQSHV-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)CC(C)(C)C1 ZINC001089549385 1360502976 /nfs/dbraw/zinc/50/29/76/1360502976.db2.gz XOHNMEOVRRSXAL-KRWDZBQOSA-N 2 0 348.535 3.304 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001089616659 1360537076 /nfs/dbraw/zinc/53/70/76/1360537076.db2.gz MVYMPRSRFMMHQD-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001323814004 1387466308 /nfs/dbraw/zinc/46/63/08/1387466308.db2.gz WBSIXJNJWBXKLK-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184577429 1387496785 /nfs/dbraw/zinc/49/67/85/1387496785.db2.gz MNTBWIWSUMQWMQ-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907288 1361484208 /nfs/dbraw/zinc/48/42/08/1361484208.db2.gz CKFMCJVWFFEXPZ-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001184714016 1387517510 /nfs/dbraw/zinc/51/75/10/1387517510.db2.gz VMUBVNDQJUXUCZ-DLBZAZTESA-N 2 0 339.568 3.227 20 0 EGADRP C[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088309 1361736947 /nfs/dbraw/zinc/73/69/47/1361736947.db2.gz NSJLGXDBQUJTQY-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094950572 1361958270 /nfs/dbraw/zinc/95/82/70/1361958270.db2.gz LAWRLKMMJSOMNO-JZXOWHBKSA-N 2 0 335.536 3.017 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184823082 1387545136 /nfs/dbraw/zinc/54/51/36/1387545136.db2.gz XIVHLLYCOVDMHA-DLBZAZTESA-N 2 0 342.487 3.212 20 0 EGADRP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)[C@@H](C)C2)c(C)n1 ZINC001184852228 1387549499 /nfs/dbraw/zinc/54/94/99/1387549499.db2.gz UOSZTAXIXAMTFK-KQTBYGHGSA-N 2 0 349.906 3.447 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)CC[N@@H+]1C ZINC001095440977 1362142162 /nfs/dbraw/zinc/14/21/62/1362142162.db2.gz HQSYDKHJIYZLJV-CXQPBAHBSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605433 1362594142 /nfs/dbraw/zinc/59/41/42/1362594142.db2.gz OWGCYXGXFFXNHY-BEKAIBRUSA-N 2 0 343.515 3.129 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097075432 1362834018 /nfs/dbraw/zinc/83/40/18/1362834018.db2.gz UJRGEWYAZNOPPE-TVFCKZIOSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001324334546 1387596598 /nfs/dbraw/zinc/59/65/98/1387596598.db2.gz LQQXQDJYMKSNFX-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097220444 1362890656 /nfs/dbraw/zinc/89/06/56/1362890656.db2.gz RMLUGCDMAVGTMT-WTGUMLROSA-N 2 0 349.563 3.407 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097848231 1363140862 /nfs/dbraw/zinc/14/08/62/1363140862.db2.gz NEXBJMHXQWNFLP-NBYUQASBSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185119193 1387623048 /nfs/dbraw/zinc/62/30/48/1387623048.db2.gz AJPREPZKTGHSRN-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001098812176 1363477656 /nfs/dbraw/zinc/47/76/56/1363477656.db2.gz AACJEFZHWZJQLK-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[C@H]([NH2+]CC2CC2)C2CCCC2)C1 ZINC001098821325 1363482044 /nfs/dbraw/zinc/48/20/44/1363482044.db2.gz ODJSTUXPANQBCV-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001098822029 1363482580 /nfs/dbraw/zinc/48/25/80/1363482580.db2.gz VZSUZROYAPNHIO-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001098822030 1363482721 /nfs/dbraw/zinc/48/27/21/1363482721.db2.gz VZSUZROYAPNHIO-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168605 1387631771 /nfs/dbraw/zinc/63/17/71/1387631771.db2.gz HTOZSXCJPDJZNH-ZWKOTPCHSA-N 2 0 339.568 3.085 20 0 EGADRP C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC1)C2)[NH+]1CCCCCC1 ZINC001099059949 1363600627 /nfs/dbraw/zinc/60/06/27/1363600627.db2.gz RKDFPEBTMONZCI-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092823 1363618388 /nfs/dbraw/zinc/61/83/88/1363618388.db2.gz NUDXCKJHGWGNGK-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110288 1363627662 /nfs/dbraw/zinc/62/76/62/1363627662.db2.gz AIUBZEKDKUVDRL-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1)C1CCC1 ZINC001099111362 1363629388 /nfs/dbraw/zinc/62/93/88/1363629388.db2.gz ZOSSTHIGCLGASJ-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001099129884 1363641746 /nfs/dbraw/zinc/64/17/46/1363641746.db2.gz CTXMIKULILHTEP-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164504 1363665311 /nfs/dbraw/zinc/66/53/11/1363665311.db2.gz DYRFBEREYARHCM-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001099172876 1363670744 /nfs/dbraw/zinc/67/07/44/1363670744.db2.gz BPAJLDHBHDRYNY-FPOVZHCZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCF)[NH+](CC)CC ZINC001099228881 1363701967 /nfs/dbraw/zinc/70/19/67/1363701967.db2.gz CLROUXDCTLSRBB-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C)[NH+](CC)CC ZINC001099230982 1363704686 /nfs/dbraw/zinc/70/46/86/1363704686.db2.gz ZMLKTMBGHPHZCI-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001099239123 1363708465 /nfs/dbraw/zinc/70/84/65/1363708465.db2.gz AHNSVZPKVAAUCD-IRXDYDNUSA-N 2 0 339.568 3.370 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099319578 1363747103 /nfs/dbraw/zinc/74/71/03/1363747103.db2.gz CDCPPFZOWLFDAT-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551611 1363843823 /nfs/dbraw/zinc/84/38/23/1363843823.db2.gz ACRPRNQPBBIRAW-NMLBUPMWSA-N 2 0 349.563 3.076 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100335342 1364082977 /nfs/dbraw/zinc/08/29/77/1364082977.db2.gz VXYYBFWWCNIHQV-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H]([NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001100404824 1364103462 /nfs/dbraw/zinc/10/34/62/1364103462.db2.gz WLQWGHNOKRDRHK-NKELODKYSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406771 1364104219 /nfs/dbraw/zinc/10/42/19/1364104219.db2.gz LPNUACFAARQXND-CTWPCTMYSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001100443421 1364116584 /nfs/dbraw/zinc/11/65/84/1364116584.db2.gz GTFZSCMMUFKZMD-OUNSHVDWSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)CCCC1 ZINC001100538237 1364151264 /nfs/dbraw/zinc/15/12/64/1364151264.db2.gz KUGOCPFJGRZZGM-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100538053 1364151362 /nfs/dbraw/zinc/15/13/62/1364151362.db2.gz AYWYPIRLKJPIQY-WAYWQWQTSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599314 1364183638 /nfs/dbraw/zinc/18/36/38/1364183638.db2.gz RNECFZQDXVVIJD-JLAWEPINSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100620121 1364192587 /nfs/dbraw/zinc/19/25/87/1364192587.db2.gz WRBMNDDFPXKUCP-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001100669314 1364211294 /nfs/dbraw/zinc/21/12/94/1364211294.db2.gz SXVDKKBMQGEXFM-ACBHZAAOSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100731888 1364239323 /nfs/dbraw/zinc/23/93/23/1364239323.db2.gz KKQMUKBCFZZGCJ-LMDPOFIKSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100732259 1364240034 /nfs/dbraw/zinc/24/00/34/1364240034.db2.gz ZLYPODTXFJQEJH-DVBVJTGKSA-N 2 0 349.563 3.482 20 0 EGADRP CC[C@H]([NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001100831390 1364282582 /nfs/dbraw/zinc/28/25/82/1364282582.db2.gz UNWKOTDGPAWESK-PPSBMQLTSA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100890174 1364314827 /nfs/dbraw/zinc/31/48/27/1364314827.db2.gz PEIIQAJYDSLKIM-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037925 1364384404 /nfs/dbraw/zinc/38/44/04/1364384404.db2.gz YDYIGAGTWKHBRJ-KMJZGYOJSA-N 2 0 349.563 3.338 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476425 1364575338 /nfs/dbraw/zinc/57/53/38/1364575338.db2.gz RZDVFMOXOUTAIR-SBHAEUEKSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474189 1364575377 /nfs/dbraw/zinc/57/53/77/1364575377.db2.gz LQLURUCZZVQKJU-CTNGQTDRSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541405 1364607549 /nfs/dbraw/zinc/60/75/49/1364607549.db2.gz DHGFRJVAHVHRDX-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001101550632 1364613468 /nfs/dbraw/zinc/61/34/68/1364613468.db2.gz SJTDXWUYPPTYCZ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001101574780 1364629162 /nfs/dbraw/zinc/62/91/62/1364629162.db2.gz CTDIUCHZCJDIEW-SFHVURJKSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1)[NH+](C)C ZINC001101575963 1364629835 /nfs/dbraw/zinc/62/98/35/1364629835.db2.gz OSRLTOOKYQBKRF-SFHVURJKSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001101588572 1364639044 /nfs/dbraw/zinc/63/90/44/1364639044.db2.gz SMRYQDVQYGCUFF-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001101596191 1364646787 /nfs/dbraw/zinc/64/67/87/1364646787.db2.gz MNLFIBBUOHFVKK-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101597721 1364648819 /nfs/dbraw/zinc/64/88/19/1364648819.db2.gz YSRZAJSMORNJGM-UHFFFAOYSA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427506 1365049049 /nfs/dbraw/zinc/04/90/49/1365049049.db2.gz XUWPFPUCQMPNJY-PFRNKHFKSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427504 1365049577 /nfs/dbraw/zinc/04/95/77/1365049577.db2.gz XUWPFPUCQMPNJY-AHSYYPKJSA-N 2 0 349.563 3.290 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001103157781 1365414406 /nfs/dbraw/zinc/41/44/06/1365414406.db2.gz CJXJGHFTCIWCBC-IAGOWNOFSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103233167 1365447333 /nfs/dbraw/zinc/44/73/33/1365447333.db2.gz BYZWCRKUZTYBOH-IAGOWNOFSA-N 2 0 342.487 3.212 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H]2C[NH+](CC=C(C)C)C[C@H]2C)C1 ZINC001103359201 1365517573 /nfs/dbraw/zinc/51/75/73/1365517573.db2.gz OPLREJSWQZEAQD-VAMGGRTRSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103633597 1365691351 /nfs/dbraw/zinc/69/13/51/1365691351.db2.gz FFRGFBWQQWXVQM-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)[NH+](CC)CC ZINC001185610396 1387760621 /nfs/dbraw/zinc/76/06/21/1387760621.db2.gz WJQJJGPIJIHPEN-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755496 1365765923 /nfs/dbraw/zinc/76/59/23/1365765923.db2.gz JLOOGMVDJMOSAB-AQNXPRMDSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755590 1365766197 /nfs/dbraw/zinc/76/61/97/1365766197.db2.gz MKGGCWXPDHTCRF-IPMKNSEASA-N 2 0 339.568 3.083 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104194718 1365947467 /nfs/dbraw/zinc/94/74/67/1365947467.db2.gz UWYRSAOHBQCJJS-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001324817312 1387782701 /nfs/dbraw/zinc/78/27/01/1387782701.db2.gz FTUZMJJHIIWGGX-TZIWHRDSSA-N 2 0 345.531 3.308 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001185729786 1387785410 /nfs/dbraw/zinc/78/54/10/1387785410.db2.gz JFKWHUOQJRNSQN-UVEXCMSLSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001104599796 1366095856 /nfs/dbraw/zinc/09/58/56/1366095856.db2.gz FMGLSGHKJZUCQB-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932631 1366229549 /nfs/dbraw/zinc/22/95/49/1366229549.db2.gz DYYLIXHTZNGWGE-JNVNVXKGSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001105014707 1366274646 /nfs/dbraw/zinc/27/46/46/1366274646.db2.gz YCLIKCRVHFTLFE-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544915 1366522006 /nfs/dbraw/zinc/52/20/06/1366522006.db2.gz YSXXMSDPOBTBPX-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CCC1 ZINC001105563880 1366533272 /nfs/dbraw/zinc/53/32/72/1366533272.db2.gz SVUADADHJLVHBE-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001105568013 1366535822 /nfs/dbraw/zinc/53/58/22/1366535822.db2.gz CXIFORWYZWLWIR-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106431603 1366692975 /nfs/dbraw/zinc/69/29/75/1366692975.db2.gz GRIKITBRQBGFQH-NVXWUHKLSA-N 2 0 342.487 3.068 20 0 EGADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001106665415 1366768771 /nfs/dbraw/zinc/76/87/71/1366768771.db2.gz VTNIEVWSZDGIIY-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667953 1366769266 /nfs/dbraw/zinc/76/92/66/1366769266.db2.gz DOYKVSNBGFCICZ-JNVNVXKGSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898539 1366827309 /nfs/dbraw/zinc/82/73/09/1366827309.db2.gz IRMLLWBEJRKQBF-YZBXUTEPSA-N 2 0 337.552 3.149 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036873 1366862552 /nfs/dbraw/zinc/86/25/52/1366862552.db2.gz UMXUFDFDJILULA-DSTKZSRVSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2)C1CC1 ZINC001107439027 1366963944 /nfs/dbraw/zinc/96/39/44/1366963944.db2.gz OQTIDXVGPLRFBS-DBXWQHBBSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455098 1366969425 /nfs/dbraw/zinc/96/94/25/1366969425.db2.gz WESUKILFMWBYEV-GJCIYHRCSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189311828 1366985041 /nfs/dbraw/zinc/98/50/41/1366985041.db2.gz NIKVKGCJGDSJFY-IKIZUSFZSA-N 2 0 347.547 3.140 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613901 1367072715 /nfs/dbraw/zinc/07/27/15/1367072715.db2.gz DZNYLGIWLRZCGL-WHIUHWMMSA-N 2 0 349.563 3.435 20 0 EGADRP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001107633068 1367084980 /nfs/dbraw/zinc/08/49/80/1367084980.db2.gz IDHRIRJBQQWHOM-TZIWHRDSSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643845 1367089372 /nfs/dbraw/zinc/08/93/72/1367089372.db2.gz UXUBVMSYXBSGGN-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396402 1367103019 /nfs/dbraw/zinc/10/30/19/1367103019.db2.gz DIVXOTLZOHXPRJ-CFXMGXPISA-N 2 0 347.547 3.042 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001189871771 1367121560 /nfs/dbraw/zinc/12/15/60/1367121560.db2.gz QIHJDJSRYRQJCI-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](CC)c3ccccc3)C[C@H]21 ZINC001189923756 1367132640 /nfs/dbraw/zinc/13/26/40/1367132640.db2.gz YJYQXWOMXYPOOO-SLFFLAALSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474008 1367146011 /nfs/dbraw/zinc/14/60/11/1367146011.db2.gz NDYPZJDLQQAAOW-FUMNGEBKSA-N 2 0 349.563 3.265 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190174542 1367190147 /nfs/dbraw/zinc/19/01/47/1367190147.db2.gz FKCMWAVUIVGUPG-SFHVURJKSA-N 2 0 337.552 3.364 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590188 1367216039 /nfs/dbraw/zinc/21/60/39/1367216039.db2.gz WINPYOIOQFRCPI-SQNIBIBYSA-N 2 0 349.563 3.409 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656550 1367320393 /nfs/dbraw/zinc/32/03/93/1367320393.db2.gz UZYLGPKGVWCJSH-ILWWCXPUSA-N 2 0 349.563 3.243 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001191082468 1367420740 /nfs/dbraw/zinc/42/07/40/1367420740.db2.gz YIYZKXBASXRXHK-QGZVFWFLSA-N 2 0 342.487 3.225 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001109969685 1367435790 /nfs/dbraw/zinc/43/57/90/1367435790.db2.gz VWCKDUQWRDFLIP-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002714 1367453651 /nfs/dbraw/zinc/45/36/51/1367453651.db2.gz QWRDRVMVIDKTNU-RNQOJCNYSA-N 2 0 343.515 3.201 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001110007129 1367455748 /nfs/dbraw/zinc/45/57/48/1367455748.db2.gz JESOWSXPAKLHLO-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001191257019 1367460485 /nfs/dbraw/zinc/46/04/85/1367460485.db2.gz HWXAVCKPXPLNDC-QUCCMNQESA-N 2 0 345.531 3.400 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110158049 1367530846 /nfs/dbraw/zinc/53/08/46/1367530846.db2.gz GAGZEQFVEFTNPX-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704512 1367543749 /nfs/dbraw/zinc/54/37/49/1367543749.db2.gz NVNUDJGVMLXHDT-LNLFQRSKSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108718968 1367554577 /nfs/dbraw/zinc/55/45/77/1367554577.db2.gz CQTOXEGRCAPGSJ-FHWLQOOXSA-N 2 0 347.547 3.164 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684448 1367560541 /nfs/dbraw/zinc/56/05/41/1367560541.db2.gz RUOCHNWVTODAOX-LKGOPFMKSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108734830 1367565451 /nfs/dbraw/zinc/56/54/51/1367565451.db2.gz YQWKUIQTENOGAW-BJLQDIEVSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)CCC(C)(C)C)C2)C1 ZINC001191923105 1367641278 /nfs/dbraw/zinc/64/12/78/1367641278.db2.gz QNJHVYQDCCEXPO-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016962 1367665623 /nfs/dbraw/zinc/66/56/23/1367665623.db2.gz KLWNNAGIUGZKCL-RBUKOAKNSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001192317441 1367748395 /nfs/dbraw/zinc/74/83/95/1367748395.db2.gz TTWGYRGQMHWKHD-VQTJNVASSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001192325690 1367752531 /nfs/dbraw/zinc/75/25/31/1367752531.db2.gz MPQQZSQPADFIQZ-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001192385076 1367771168 /nfs/dbraw/zinc/77/11/68/1367771168.db2.gz DLIJARDNMQCQLV-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406909 1367774328 /nfs/dbraw/zinc/77/43/28/1367774328.db2.gz OXNXDRQIBBBYOH-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP C[NH+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406563 1367775346 /nfs/dbraw/zinc/77/53/46/1367775346.db2.gz JWXMPFUJWOYBLU-KRWDZBQOSA-N 2 0 339.568 3.323 20 0 EGADRP c1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n(C2CC2)c1 ZINC001325118857 1387900772 /nfs/dbraw/zinc/90/07/72/1387900772.db2.gz ZPXWSAJRTPSQDI-UHFFFAOYSA-N 2 0 331.504 3.147 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192657054 1367843542 /nfs/dbraw/zinc/84/35/42/1367843542.db2.gz XIXXQFDBLDQBEG-ASIGSXEYSA-N 2 0 335.536 3.140 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001192946334 1367908792 /nfs/dbraw/zinc/90/87/92/1367908792.db2.gz AQEXDPBHBKETRX-RTBURBONSA-N 2 0 345.531 3.239 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1)C1CCC1 ZINC001110673920 1367913891 /nfs/dbraw/zinc/91/38/91/1367913891.db2.gz ZCPATZHJXPSDTN-AQNXPRMDSA-N 2 0 347.547 3.163 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693605 1367931620 /nfs/dbraw/zinc/93/16/20/1367931620.db2.gz OTEUBKTVYFEMJH-SWKADNKYSA-N 2 0 335.536 3.041 20 0 EGADRP C[C@@]1(CO)CCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193209332 1367966896 /nfs/dbraw/zinc/96/68/96/1367966896.db2.gz FLMSQQKUDHHKLA-NRFANRHFSA-N 2 0 330.516 3.178 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424911 1368026439 /nfs/dbraw/zinc/02/64/39/1368026439.db2.gz RDYDCGMVACXXDD-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558914 1368061303 /nfs/dbraw/zinc/06/13/03/1368061303.db2.gz FGLNQAIFCDXBKP-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001193571537 1368064343 /nfs/dbraw/zinc/06/43/43/1368064343.db2.gz TVZHHUZVTCDSBY-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001193600265 1368069965 /nfs/dbraw/zinc/06/99/65/1368069965.db2.gz BIGNHNCKLDEHNC-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001193609415 1368073179 /nfs/dbraw/zinc/07/31/79/1368073179.db2.gz AEJMJZUMRTVWKZ-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947639 1368114735 /nfs/dbraw/zinc/11/47/35/1368114735.db2.gz SCHVTNBJYOUOSE-OBVKCSMASA-N 2 0 347.547 3.185 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001111125806 1368161532 /nfs/dbraw/zinc/16/15/32/1368161532.db2.gz NDSLUUWPVIJMBK-XLVWSCLWSA-N 2 0 344.503 3.056 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164282 1368174348 /nfs/dbraw/zinc/17/43/48/1368174348.db2.gz RDDVVULRSWWCEH-OTHNFZTHSA-N 2 0 349.563 3.431 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081457 1368179108 /nfs/dbraw/zinc/17/91/08/1368179108.db2.gz PMPDXHHSXQVVPT-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001111171559 1368179861 /nfs/dbraw/zinc/17/98/61/1368179861.db2.gz JHKOXFBHLFGNKS-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081829 1368180126 /nfs/dbraw/zinc/18/01/26/1368180126.db2.gz XNCSESJTLMGRSY-PHWHVTFISA-N 2 0 335.536 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1C ZINC001111233696 1368209426 /nfs/dbraw/zinc/20/94/26/1368209426.db2.gz UJWWIMPYZTXBHX-CUDHKJQZSA-N 2 0 343.515 3.119 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227906 1368212489 /nfs/dbraw/zinc/21/24/89/1368212489.db2.gz OHIAUPLQJLTXTI-HCZHMGAMSA-N 2 0 343.515 3.251 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229443 1368213205 /nfs/dbraw/zinc/21/32/05/1368213205.db2.gz XJPJUEAIPMYEDM-QUCCMNQESA-N 2 0 343.515 3.156 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275188 1368222456 /nfs/dbraw/zinc/22/24/56/1368222456.db2.gz PSOWOMCBUZSJSB-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430067 1368260020 /nfs/dbraw/zinc/26/00/20/1368260020.db2.gz RJFAENPALMGJEZ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cccnc1N(C)C ZINC001325310290 1387931780 /nfs/dbraw/zinc/93/17/80/1387931780.db2.gz QKCQOFOZHPAUMZ-UHFFFAOYSA-N 2 0 326.488 3.278 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464106 1368310927 /nfs/dbraw/zinc/31/09/27/1368310927.db2.gz IBUMTCVBAOQFMO-ZRNYENFQSA-N 2 0 343.515 3.199 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428379 1387940794 /nfs/dbraw/zinc/94/07/94/1387940794.db2.gz QZKANSBOYZDKNI-DYCGFVMMSA-N 2 0 337.552 3.290 20 0 EGADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2)[NH+](C)C ZINC001111875076 1368521556 /nfs/dbraw/zinc/52/15/56/1368521556.db2.gz QBIHTQFRLPNVEP-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196164248 1368560914 /nfs/dbraw/zinc/56/09/14/1368560914.db2.gz ZFXUNEQPZQXZQN-IBGZPJMESA-N 2 0 337.552 3.364 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196200465 1368567084 /nfs/dbraw/zinc/56/70/84/1368567084.db2.gz KHLGATVAMCNXJN-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275138 1368581947 /nfs/dbraw/zinc/58/19/47/1368581947.db2.gz GRTROXGQJBGRHT-UNQUKWGNSA-N 2 0 347.547 3.284 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275902 1368582435 /nfs/dbraw/zinc/58/24/35/1368582435.db2.gz OSAAZSWLSKTVQI-RTBURBONSA-N 2 0 335.536 3.118 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388097 1368603712 /nfs/dbraw/zinc/60/37/12/1368603712.db2.gz CEOVMZMRXWWUAE-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890621 1368708610 /nfs/dbraw/zinc/70/86/10/1368708610.db2.gz TYHNPNJGQSVVDQ-YJJPMGAVSA-N 2 0 349.563 3.389 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962197 1368722021 /nfs/dbraw/zinc/72/20/21/1368722021.db2.gz BCIYHQPMQVSNOO-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285441 1368748469 /nfs/dbraw/zinc/74/84/69/1368748469.db2.gz XODXEQQZQZOMKM-NNXSCSCUSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112428152 1368842130 /nfs/dbraw/zinc/84/21/30/1368842130.db2.gz CJVWNCKNFJEOTD-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529549 1368916028 /nfs/dbraw/zinc/91/60/28/1368916028.db2.gz FOIMLAOAEPAMTB-CUWPLCDZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112557750 1368927255 /nfs/dbraw/zinc/92/72/55/1368927255.db2.gz WFMZKDFRLOUVDF-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259864 1368991154 /nfs/dbraw/zinc/99/11/54/1368991154.db2.gz RZSWVCOBKLAUIN-XJDXJNMNSA-N 2 0 349.563 3.388 20 0 EGADRP C[N@H+](CCC(=O)N1CC[NH+](CCC2CCCC2)CC1)C1CCCCC1 ZINC001113156797 1369233156 /nfs/dbraw/zinc/23/31/56/1369233156.db2.gz ZKWKHVMKKKUWQK-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506622 1369381953 /nfs/dbraw/zinc/38/19/53/1369381953.db2.gz FXQTYPVPEIBFMY-HKUYNNGSSA-N 2 0 337.552 3.122 20 0 EGADRP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200578032 1369393558 /nfs/dbraw/zinc/39/35/58/1369393558.db2.gz KCSCODQETIAIJC-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001113571538 1369496680 /nfs/dbraw/zinc/49/66/80/1369496680.db2.gz TVQDHQHNUGNRJS-LJQANCHMSA-N 2 0 345.531 3.241 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)c1 ZINC001113674812 1369559675 /nfs/dbraw/zinc/55/96/75/1369559675.db2.gz NBMHFCFKOYAHLA-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001113679238 1369562508 /nfs/dbraw/zinc/56/25/08/1369562508.db2.gz JHJCWOMANOGZGZ-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201617376 1369591526 /nfs/dbraw/zinc/59/15/26/1369591526.db2.gz IWTWTEHYRGPVGN-IBGZPJMESA-N 2 0 331.504 3.183 20 0 EGADRP Cc1cccc2ccc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)nc12 ZINC001201648269 1369595895 /nfs/dbraw/zinc/59/58/95/1369595895.db2.gz KDJMSDNBXVCISJ-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cnc(Cl)cc3Cl)cc[nH+]2)CC1 ZINC001201653611 1369596658 /nfs/dbraw/zinc/59/66/58/1369596658.db2.gz DRSFJKJWXKWDCR-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP c1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001201662748 1369599703 /nfs/dbraw/zinc/59/97/03/1369599703.db2.gz IMJCXCNYEUPGPX-FGZHOGPDSA-N 2 0 342.527 3.442 20 0 EGADRP FC(F)(F)CC[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001202319285 1369736798 /nfs/dbraw/zinc/73/67/98/1369736798.db2.gz LDLBDQKPOMDNRS-UHFFFAOYSA-N 2 0 348.434 3.367 20 0 EGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(CCC(F)(F)F)CC[C@@H]21 ZINC001202329986 1369740202 /nfs/dbraw/zinc/74/02/02/1369740202.db2.gz XSUQFRHNTDYNPR-PMPSAXMXSA-N 2 0 344.425 3.009 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186994811 1388036494 /nfs/dbraw/zinc/03/64/94/1388036494.db2.gz QOXRIRARQHZNCE-TZIWHRDSSA-N 2 0 345.531 3.090 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001186995161 1388036719 /nfs/dbraw/zinc/03/67/19/1388036719.db2.gz VAMMOJDUVXCWLD-WIYYLYMNSA-N 2 0 345.531 3.090 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186995149 1388036754 /nfs/dbraw/zinc/03/67/54/1388036754.db2.gz UYEBNNSBQPRWOO-WBWXQYNJSA-N 2 0 343.515 3.010 20 0 EGADRP Cc1cc(C)c(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1 ZINC001202957742 1369935963 /nfs/dbraw/zinc/93/59/63/1369935963.db2.gz GXLXRVQHKBJFCS-UHFFFAOYSA-N 2 0 348.535 3.349 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC001203006156 1369951980 /nfs/dbraw/zinc/95/19/80/1369951980.db2.gz VCZLOWVUQQCIIH-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027126 1369959395 /nfs/dbraw/zinc/95/93/95/1369959395.db2.gz CPNBPXOQMJAFBY-SJORKVTESA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501755 1369977458 /nfs/dbraw/zinc/97/74/58/1369977458.db2.gz HSRCSMGXZSCGJK-BWTSREIZSA-N 2 0 349.563 3.122 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203102292 1369983986 /nfs/dbraw/zinc/98/39/86/1369983986.db2.gz HQLCQFSRRCYCGK-IRXDYDNUSA-N 2 0 349.563 3.170 20 0 EGADRP CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203102631 1369984127 /nfs/dbraw/zinc/98/41/27/1369984127.db2.gz ICUZTQJGWGHZRL-IAGOWNOFSA-N 2 0 335.536 3.066 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203122745 1369989962 /nfs/dbraw/zinc/98/99/62/1369989962.db2.gz JPIVIQQJSARAOP-MSOLQXFVSA-N 2 0 340.471 3.073 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001187017880 1388041711 /nfs/dbraw/zinc/04/17/11/1388041711.db2.gz BYFPHZUKMOSFFT-QZTJIDSGSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203166840 1370007220 /nfs/dbraw/zinc/00/72/20/1370007220.db2.gz AQJBYVQDAURNEM-ZWKOTPCHSA-N 2 0 340.471 3.011 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001203193322 1370019384 /nfs/dbraw/zinc/01/93/84/1370019384.db2.gz KUEHWTKXSCYQGD-FCHUYYIVSA-N 2 0 336.479 3.133 20 0 EGADRP CC[NH+](CC)CCn1cc(Nc2c[nH+]ccc2N2CCCCC2)cn1 ZINC001203256088 1370044371 /nfs/dbraw/zinc/04/43/71/1370044371.db2.gz GZDZJVPEXMSQHJ-UHFFFAOYSA-N 2 0 342.491 3.354 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325307 1370082561 /nfs/dbraw/zinc/08/25/61/1370082561.db2.gz LSXFLWKLRQRKGJ-XXCOWLKOSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C12CCC2 ZINC001203360620 1370098488 /nfs/dbraw/zinc/09/84/88/1370098488.db2.gz XYUUHSAFSMYDQU-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417717 1370117759 /nfs/dbraw/zinc/11/77/59/1370117759.db2.gz BMOUQZYJKKPGEN-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420932 1370118762 /nfs/dbraw/zinc/11/87/62/1370118762.db2.gz XZOLUBJKAUDUKH-VGRIIWOTSA-N 2 0 347.547 3.092 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203578165 1370177102 /nfs/dbraw/zinc/17/71/02/1370177102.db2.gz ULWMLONBWOOWDX-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203771757 1370259063 /nfs/dbraw/zinc/25/90/63/1370259063.db2.gz OJHRDBUNIOKHOT-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203783971 1370262121 /nfs/dbraw/zinc/26/21/21/1370262121.db2.gz YSPWBEBJTXSUJJ-ZWKOTPCHSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203791550 1370266075 /nfs/dbraw/zinc/26/60/75/1370266075.db2.gz JRUMMWPBGOQNEW-RTBURBONSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203791216 1370266134 /nfs/dbraw/zinc/26/61/34/1370266134.db2.gz FKEWSDCGQGYGRB-OALUTQOASA-N 2 0 347.547 3.234 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203823117 1370279226 /nfs/dbraw/zinc/27/92/26/1370279226.db2.gz GTNGFYDAOJORSQ-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP Cc1ccc(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001204033943 1370354791 /nfs/dbraw/zinc/35/47/91/1370354791.db2.gz FHCBLAQANOVDQV-PKOBYXMFSA-N 2 0 334.529 3.379 20 0 EGADRP c1[nH]c2ccccc2c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001204041789 1370356821 /nfs/dbraw/zinc/35/68/21/1370356821.db2.gz ZFFYIBLEEDSFMD-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001204268671 1370428089 /nfs/dbraw/zinc/42/80/89/1370428089.db2.gz MQFVUDLEKMDDJM-MRXNPFEDSA-N 2 0 326.431 3.494 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450918 1370459031 /nfs/dbraw/zinc/45/90/31/1370459031.db2.gz TYZNBOWKYRTDDX-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115451023 1370459523 /nfs/dbraw/zinc/45/95/23/1370459523.db2.gz XROOXHVBKCDDLB-QWNKOJSDSA-N 2 0 335.536 3.236 20 0 EGADRP Cc1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)oc1C ZINC001204532083 1370507755 /nfs/dbraw/zinc/50/77/55/1370507755.db2.gz VDHQMQBCFLWYTC-UHFFFAOYSA-N 2 0 342.487 3.137 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115535395 1370532259 /nfs/dbraw/zinc/53/22/59/1370532259.db2.gz UGBOAUNWKWSZNN-IBGZPJMESA-N 2 0 349.563 3.458 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538336 1370534955 /nfs/dbraw/zinc/53/49/55/1370534955.db2.gz CUQCHPGDIRLIRN-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540398 1370537431 /nfs/dbraw/zinc/53/74/31/1370537431.db2.gz IXHAGRTWILOVOY-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP COc1c(F)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001204734649 1370558770 /nfs/dbraw/zinc/55/87/70/1370558770.db2.gz ANJBVIUYOTYUQU-UHFFFAOYSA-N 2 0 326.843 3.453 20 0 EGADRP COc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)cc1Cl ZINC001204735225 1370559483 /nfs/dbraw/zinc/55/94/83/1370559483.db2.gz OXKQIVKLTPQANA-UHFFFAOYSA-N 2 0 326.843 3.453 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559739 1370560118 /nfs/dbraw/zinc/56/01/18/1370560118.db2.gz GEOJCAWQYKVWBU-SJORKVTESA-N 2 0 343.531 3.121 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC(C)C)c1 ZINC001204742401 1370561985 /nfs/dbraw/zinc/56/19/85/1370561985.db2.gz MYHFBLCZWCPADW-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP CCn1c2ccccc2c2cc(C[N@@H+]3CCO[C@@H](CC[NH3+])C3)ccc21 ZINC001204756045 1370568182 /nfs/dbraw/zinc/56/81/82/1370568182.db2.gz KGWBUVPQFIHUIH-KRWDZBQOSA-N 2 0 337.467 3.364 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115579282 1370583073 /nfs/dbraw/zinc/58/30/73/1370583073.db2.gz GKHKZXJTQDJULR-NCALTVRCSA-N 2 0 341.927 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115598154 1370598254 /nfs/dbraw/zinc/59/82/54/1370598254.db2.gz JGOROPZFFRGEKC-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CCOc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1Br ZINC001205053498 1370638661 /nfs/dbraw/zinc/63/86/61/1370638661.db2.gz NTRIUUBUZRBUGB-UHFFFAOYSA-N 2 0 327.266 3.019 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001205046717 1370637171 /nfs/dbraw/zinc/63/71/71/1370637171.db2.gz JPVYVLJFIHPQFV-UHFFFAOYSA-N 2 0 338.377 3.062 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc3cc(Br)cnc32)C[C@H]1C[NH3+] ZINC001205151679 1370664808 /nfs/dbraw/zinc/66/48/08/1370664808.db2.gz YSTUZEOJENDFIY-SMDDNHRTSA-N 2 0 334.261 3.024 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc3cc(Br)cnc3c2)C[C@H]1C[NH3+] ZINC001205151154 1370664966 /nfs/dbraw/zinc/66/49/66/1370664966.db2.gz QMGUQUFSUIAMFK-SMDDNHRTSA-N 2 0 334.261 3.024 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1 ZINC001115697955 1370679185 /nfs/dbraw/zinc/67/91/85/1370679185.db2.gz PIZHWZNIIWZPNS-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)s2)cc1 ZINC001205219708 1370685345 /nfs/dbraw/zinc/68/53/45/1370685345.db2.gz FTTUDXZOMMUDBO-LJQANCHMSA-N 2 0 346.496 3.099 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)cc2)cc1 ZINC001205221354 1370686120 /nfs/dbraw/zinc/68/61/20/1370686120.db2.gz SKTJUYOJUBDYGL-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001205230268 1370688545 /nfs/dbraw/zinc/68/85/45/1370688545.db2.gz RUTRMIRHNCZOCI-CQSZACIVSA-N 2 0 336.785 3.035 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccccc2CCc2ccccc2)CC1 ZINC001205247075 1370693770 /nfs/dbraw/zinc/69/37/70/1370693770.db2.gz AMRXHRPMMPSKQN-JOCHJYFZSA-N 2 0 338.495 3.148 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729837 1370712090 /nfs/dbraw/zinc/71/20/90/1370712090.db2.gz UTQHQRZIQLBVPC-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730433 1370712865 /nfs/dbraw/zinc/71/28/65/1370712865.db2.gz JPMLGIZHZBSEPI-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115730897 1370713682 /nfs/dbraw/zinc/71/36/82/1370713682.db2.gz UEXXENJCFMMBGH-IRXDYDNUSA-N 2 0 337.552 3.029 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001205303842 1370713912 /nfs/dbraw/zinc/71/39/12/1370713912.db2.gz LLJMATNRGPCIDA-HOCLYGCPSA-N 2 0 328.456 3.274 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1)[NH+](C)C ZINC001115734353 1370717366 /nfs/dbraw/zinc/71/73/66/1370717366.db2.gz JJMHEMJREKDOMP-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768920 1370753156 /nfs/dbraw/zinc/75/31/56/1370753156.db2.gz NHLPATATVYXDBN-MOPGFXCFSA-N 2 0 349.563 3.458 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457722 1370761900 /nfs/dbraw/zinc/76/19/00/1370761900.db2.gz MLTOKOCBCNHEBS-VOTSOKGWSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1)C1CC1 ZINC001205462359 1370763438 /nfs/dbraw/zinc/76/34/38/1370763438.db2.gz WASBXFICJRTHCN-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519071 1370778637 /nfs/dbraw/zinc/77/86/37/1370778637.db2.gz UIXODRSGJGRNNU-QZPVUJMKSA-N 2 0 347.547 3.188 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1OCC1CC1 ZINC001205571811 1370795434 /nfs/dbraw/zinc/79/54/34/1370795434.db2.gz YGHJNJFQEIASDE-LJQANCHMSA-N 2 0 336.451 3.137 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)n2)cc1 ZINC001205570466 1370795673 /nfs/dbraw/zinc/79/56/73/1370795673.db2.gz KHILLTACPMWJKX-FQEVSTJZSA-N 2 0 343.446 3.410 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590424 1370802935 /nfs/dbraw/zinc/80/29/35/1370802935.db2.gz FTOHTYFGVJQTRO-OAHLLOKOSA-N 2 0 342.487 3.131 20 0 EGADRP COc1ccc(Br)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205617841 1370812930 /nfs/dbraw/zinc/81/29/30/1370812930.db2.gz OLPBQTATOSEGCZ-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP O=C(N1CCC(C[NH2+]CCCC2CCC2)CC1)C12CCC[NH+]1CCC2 ZINC001205619662 1370813970 /nfs/dbraw/zinc/81/39/70/1370813970.db2.gz BLDOXZFUBHIXOW-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c[nH]c2c1 ZINC001205652669 1370828666 /nfs/dbraw/zinc/82/86/66/1370828666.db2.gz QNBKIGQQUUMRDN-HOCLYGCPSA-N 2 0 343.471 3.151 20 0 EGADRP COc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205671572 1370837322 /nfs/dbraw/zinc/83/73/22/1370837322.db2.gz CPNIBGARMMPAOR-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751486 1370859018 /nfs/dbraw/zinc/85/90/18/1370859018.db2.gz FHAPJPMUAVDONT-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP c1cc(-c2cncc(C[NH+]3CCCCC3)c2)cc(N2CC[NH2+]CC2)c1 ZINC001205922162 1370911756 /nfs/dbraw/zinc/91/17/56/1370911756.db2.gz CCIPCHVLOFJVBS-UHFFFAOYSA-N 2 0 336.483 3.144 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c2ccccc12 ZINC001205925841 1370913486 /nfs/dbraw/zinc/91/34/86/1370913486.db2.gz ZISWDPYFYBFNGK-GJZGRUSLSA-N 2 0 328.456 3.416 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001205995854 1370933328 /nfs/dbraw/zinc/93/33/28/1370933328.db2.gz RDDGTVKSKROMSQ-YPMHNXCESA-N 2 0 329.257 3.395 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206005909 1370936562 /nfs/dbraw/zinc/93/65/62/1370936562.db2.gz DUDFNDJDKGEIBJ-KKHYBRAUSA-N 2 0 349.563 3.293 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1OC(F)(F)F ZINC001206011500 1370937717 /nfs/dbraw/zinc/93/77/17/1370937717.db2.gz CVSJXKOKGROQST-TZMCWYRMSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC[C@H]1C[NH3+] ZINC001206022173 1370939771 /nfs/dbraw/zinc/93/97/71/1370939771.db2.gz BLMFSDBKUZDVEL-OLZOCXBDSA-N 2 0 333.863 3.401 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c(F)c1Cl ZINC001206037527 1370946226 /nfs/dbraw/zinc/94/62/26/1370946226.db2.gz WAILOOXFTKLKKH-WDEREUQCSA-N 2 0 332.822 3.434 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC001116721908 1370961453 /nfs/dbraw/zinc/96/14/53/1370961453.db2.gz XMGHWEZGPXWJTF-QUCCMNQESA-N 2 0 341.503 3.039 20 0 EGADRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[C@H]1F ZINC001206183111 1370984407 /nfs/dbraw/zinc/98/44/07/1370984407.db2.gz FTUJGSDBFONEOA-CHWSQXEVSA-N 2 0 338.320 3.185 20 0 EGADRP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[C@H]1F ZINC001206183112 1370985300 /nfs/dbraw/zinc/98/53/00/1370985300.db2.gz FTUJGSDBFONEOA-OLZOCXBDSA-N 2 0 338.320 3.185 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001206310900 1371017915 /nfs/dbraw/zinc/01/79/15/1371017915.db2.gz FBTBKHWCJFFQHJ-LJQANCHMSA-N 2 0 328.435 3.234 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CC1 ZINC001206326295 1371023247 /nfs/dbraw/zinc/02/32/47/1371023247.db2.gz MLHFJCARYFWUHT-OAHLLOKOSA-N 2 0 332.366 3.242 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001206326504 1371023398 /nfs/dbraw/zinc/02/33/98/1371023398.db2.gz OGOBAPIDKBJLHG-SFHVURJKSA-N 2 0 332.879 3.477 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481775 1371068175 /nfs/dbraw/zinc/06/81/75/1371068175.db2.gz KXJXNYXGGBORTL-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC001117749016 1371074214 /nfs/dbraw/zinc/07/42/14/1371074214.db2.gz ULOLRSAFPAFZNV-DLBZAZTESA-N 2 0 345.487 3.416 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206549227 1371090257 /nfs/dbraw/zinc/09/02/57/1371090257.db2.gz WJGLZVXOFWRLBW-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001206606170 1371107838 /nfs/dbraw/zinc/10/78/38/1371107838.db2.gz GHHQPFADCVQUMC-OAHLLOKOSA-N 2 0 325.294 3.443 20 0 EGADRP Cc1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)ccc2c[nH+]cn21 ZINC001117936155 1371110130 /nfs/dbraw/zinc/11/01/30/1371110130.db2.gz PAAUEFIGNFGMCC-LJQANCHMSA-N 2 0 334.423 3.444 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001206622142 1371111580 /nfs/dbraw/zinc/11/15/80/1371111580.db2.gz ZGLPOGSWEDCURD-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263221 1371153611 /nfs/dbraw/zinc/15/36/11/1371153611.db2.gz DSPSAFNFXNICRK-HNNXBMFYSA-N 2 0 326.444 3.263 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)n2)cc1 ZINC001206770089 1371160065 /nfs/dbraw/zinc/16/00/65/1371160065.db2.gz QPXBJSZWGHAOET-CVEARBPZSA-N 2 0 325.456 3.316 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)CC[N@H+](C)CC)CC1)c1ccccc1 ZINC001206779727 1371163278 /nfs/dbraw/zinc/16/32/78/1371163278.db2.gz LXNLGKYBKFRQBA-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206795029 1371169515 /nfs/dbraw/zinc/16/95/15/1371169515.db2.gz ZGLFESZTGZWMKK-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947582 1371240029 /nfs/dbraw/zinc/24/00/29/1371240029.db2.gz BGHXFLQMMUUMOU-HDICACEKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206948095 1371240916 /nfs/dbraw/zinc/24/09/16/1371240916.db2.gz UQHLVGXZBUHKOK-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206950354 1371241778 /nfs/dbraw/zinc/24/17/78/1371241778.db2.gz NEQMOJIXYQRQLO-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952287 1371243069 /nfs/dbraw/zinc/24/30/69/1371243069.db2.gz IGJBFSIMOMWZEB-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001207285219 1371350684 /nfs/dbraw/zinc/35/06/84/1371350684.db2.gz DHQOKFBMHMABOI-UHFFFAOYSA-N 2 0 345.487 3.066 20 0 EGADRP CC[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCN(C)CC1 ZINC001207291719 1371352990 /nfs/dbraw/zinc/35/29/90/1371352990.db2.gz VOXKVCPQPFKEQJ-UHFFFAOYSA-N 2 0 329.532 3.315 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207336931 1371364769 /nfs/dbraw/zinc/36/47/69/1371364769.db2.gz MVJKFJQCKFSWFC-JMKDSLFWSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(CC2CCC(F)(F)CC2)CC1 ZINC001207346846 1371368061 /nfs/dbraw/zinc/36/80/61/1371368061.db2.gz CXIKOYHSSHAUTE-QGZVFWFLSA-N 2 0 330.463 3.387 20 0 EGADRP Brc1ccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001207378978 1371379524 /nfs/dbraw/zinc/37/95/24/1371379524.db2.gz UBWNEAYVWLOFGJ-UHFFFAOYSA-N 2 0 346.272 3.209 20 0 EGADRP CC(C)[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207401687 1371385969 /nfs/dbraw/zinc/38/59/69/1371385969.db2.gz RKFDDHLZPQXAEI-KRWDZBQOSA-N 2 0 339.524 3.048 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@@H+]1CCC[C@H](C)C1 ZINC001119700957 1371390935 /nfs/dbraw/zinc/39/09/35/1371390935.db2.gz CHMBNASJGIRNAM-IRXDYDNUSA-N 2 0 347.503 3.116 20 0 EGADRP Cc1ccc(-c2noc(C3CC[NH+](CC4CC[NH2+]CC4)CC3)n2)cc1 ZINC001207439072 1371396641 /nfs/dbraw/zinc/39/66/41/1371396641.db2.gz KRUVFQGJTVODOP-UHFFFAOYSA-N 2 0 340.471 3.224 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)CC1 ZINC001207481424 1371409628 /nfs/dbraw/zinc/40/96/28/1371409628.db2.gz GMMCNASJDLWSIE-UHFFFAOYSA-N 2 0 344.474 3.478 20 0 EGADRP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207488372 1371412148 /nfs/dbraw/zinc/41/21/48/1371412148.db2.gz JXZXYDPARCERGI-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001207517358 1371423422 /nfs/dbraw/zinc/42/34/22/1371423422.db2.gz OWAIJRRAEDPWTL-UHFFFAOYSA-N 2 0 335.511 3.108 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541068 1371430076 /nfs/dbraw/zinc/43/00/76/1371430076.db2.gz RSXJWUXTFDSMFD-IOIJZZRGSA-N 2 0 335.536 3.042 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN(CCCc2cccc(OC)c2)CC1 ZINC001207572836 1371439124 /nfs/dbraw/zinc/43/91/24/1371439124.db2.gz LWRYWOSOLGRRJR-FQEVSTJZSA-N 2 0 346.515 3.203 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)s2)cn1 ZINC001119989949 1371444502 /nfs/dbraw/zinc/44/45/02/1371444502.db2.gz UCVZAXSVTPROAN-BFYDXBDKSA-N 2 0 344.528 3.311 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010362 1371454317 /nfs/dbraw/zinc/45/43/17/1371454317.db2.gz OQAIWDAYSHZBHC-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)(C)CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120021115 1371458581 /nfs/dbraw/zinc/45/85/81/1371458581.db2.gz NSUABMTZVWRVAS-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120032469 1371462721 /nfs/dbraw/zinc/46/27/21/1371462721.db2.gz JUJLOWRYYZQZDW-WAYWQWQTSA-N 2 0 337.552 3.483 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001120041331 1371466569 /nfs/dbraw/zinc/46/65/69/1371466569.db2.gz OTIDWLXWAGMBHH-UHFFFAOYSA-N 2 0 345.531 3.327 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682215 1371473577 /nfs/dbraw/zinc/47/35/77/1371473577.db2.gz GEJVPPVBLJGXBO-ASIGSXEYSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001207750289 1371493713 /nfs/dbraw/zinc/49/37/13/1371493713.db2.gz OJVSWIFVFLMVLY-ZIFCJYIRSA-N 2 0 345.531 3.223 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001207757567 1371495853 /nfs/dbraw/zinc/49/58/53/1371495853.db2.gz GFVHOBFYCAVRES-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208077 1371505204 /nfs/dbraw/zinc/50/52/04/1371505204.db2.gz UJXOPDKJAHYSBO-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208080 1371505487 /nfs/dbraw/zinc/50/54/87/1371505487.db2.gz UJXOPDKJAHYSBO-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cc(F)ncc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001120248877 1371513921 /nfs/dbraw/zinc/51/39/21/1371513921.db2.gz AMVYLVMBLJHGJJ-UHFFFAOYSA-N 2 0 343.446 3.294 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207839506 1371516347 /nfs/dbraw/zinc/51/63/47/1371516347.db2.gz QTSCYEORGQDPDV-UHFFFAOYSA-N 2 0 343.559 3.458 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423885 1371571141 /nfs/dbraw/zinc/57/11/41/1371571141.db2.gz XRGHCVZNJUGWCR-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120439988 1371579046 /nfs/dbraw/zinc/57/90/46/1371579046.db2.gz KOVWQJFXVLXCMU-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP c1cnn(CCC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001208080995 1371590133 /nfs/dbraw/zinc/59/01/33/1371590133.db2.gz QVCYDFQQTDOOMB-UHFFFAOYSA-N 2 0 338.499 3.261 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001120503194 1371593648 /nfs/dbraw/zinc/59/36/48/1371593648.db2.gz KNALZXYREPCGRM-QGZVFWFLSA-N 2 0 347.478 3.174 20 0 EGADRP CN(Cc1ccc(F)cc1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208110392 1371598081 /nfs/dbraw/zinc/59/80/81/1371598081.db2.gz CGZADWSHHMYDLE-UHFFFAOYSA-N 3 0 347.522 3.454 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330886 1371720435 /nfs/dbraw/zinc/72/04/35/1371720435.db2.gz HLCVGLGHDZIGPU-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330884 1371720510 /nfs/dbraw/zinc/72/05/10/1371720510.db2.gz HLCVGLGHDZIGPU-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331725 1371721591 /nfs/dbraw/zinc/72/15/91/1371721591.db2.gz WLNKNZKROQSYKO-OALUTQOASA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334565 1371722080 /nfs/dbraw/zinc/72/20/80/1371722080.db2.gz JXIFYWSHLRKJMR-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434909 1371765301 /nfs/dbraw/zinc/76/53/01/1371765301.db2.gz IKWBJXWHWGEGNN-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001208448086 1371769546 /nfs/dbraw/zinc/76/95/46/1371769546.db2.gz VBTZWMXYCRXKHW-IEBWSBKVSA-N 2 0 345.531 3.367 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001326338777 1388160162 /nfs/dbraw/zinc/16/01/62/1388160162.db2.gz BCNXVYLZTLKGFS-IBGZPJMESA-N 2 0 331.504 3.004 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](C[C@H]3CCCCN3Cc3ccccc3)C2)CC1 ZINC001208592946 1371832699 /nfs/dbraw/zinc/83/26/99/1371832699.db2.gz ZNEKZXFFJOJGAC-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)CCc2cccc(C(F)(F)F)n2)CC1 ZINC001208594813 1371834006 /nfs/dbraw/zinc/83/40/06/1371834006.db2.gz NZNRNMHSXHZNFN-UHFFFAOYSA-N 2 0 329.410 3.307 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)CC1 ZINC001208595443 1371834173 /nfs/dbraw/zinc/83/41/73/1371834173.db2.gz TUOTZWYIIFTJGX-QGZVFWFLSA-N 2 0 333.495 3.064 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)CC1 ZINC001208596385 1371834698 /nfs/dbraw/zinc/83/46/98/1371834698.db2.gz MQWGKBJMRWQOCE-UHFFFAOYSA-N 2 0 342.487 3.111 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208597689 1371835313 /nfs/dbraw/zinc/83/53/13/1371835313.db2.gz KUNUEGXUCWENJP-QFIPXVFZSA-N 3 0 341.543 3.316 20 0 EGADRP CCN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208608237 1371838201 /nfs/dbraw/zinc/83/82/01/1371838201.db2.gz PFPUYELYWVJYGA-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP COC(=O)[C@@H](C)C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001208724788 1371874381 /nfs/dbraw/zinc/87/43/81/1371874381.db2.gz GXGGFBKLBGHQRI-SFHVURJKSA-N 2 0 344.499 3.174 20 0 EGADRP CC(C)CCC[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001208735670 1371879371 /nfs/dbraw/zinc/87/93/71/1371879371.db2.gz PYUBJUAGDDKUCK-UHFFFAOYSA-N 2 0 345.531 3.432 20 0 EGADRP COc1ccccc1CCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001208841428 1371914165 /nfs/dbraw/zinc/91/41/65/1371914165.db2.gz BMHQOIQFDYZESC-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@H+](CC)C2CCN(C)CC2)cc1 ZINC001208870858 1371926460 /nfs/dbraw/zinc/92/64/60/1371926460.db2.gz NFGRKAWQCBBOJN-UHFFFAOYSA-N 2 0 332.488 3.212 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208933044 1371951993 /nfs/dbraw/zinc/95/19/93/1371951993.db2.gz SUYNFAOUUVRYOK-SFTDATJTSA-N 2 0 328.500 3.401 20 0 EGADRP CC(C)[N@H+](C)[C@H]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946336 1371958093 /nfs/dbraw/zinc/95/80/93/1371958093.db2.gz UVTPMKFGXHIVPV-SFTDATJTSA-N 2 0 329.532 3.313 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001209250903 1372050980 /nfs/dbraw/zinc/05/09/80/1372050980.db2.gz JCJGKNYFGVFQKH-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209279584 1372057288 /nfs/dbraw/zinc/05/72/88/1372057288.db2.gz ZMUXCVDXMUSGIQ-KRWDZBQOSA-N 2 0 335.492 3.116 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2)[NH+](C)C ZINC001121728540 1372061478 /nfs/dbraw/zinc/06/14/78/1372061478.db2.gz QTINGDKOAXCRKG-RSXKDLDNSA-N 2 0 337.552 3.026 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761295 1372072466 /nfs/dbraw/zinc/07/24/66/1372072466.db2.gz JKORVTSSBLZHHJ-WZXTXQKWSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1CCC[NH+]1CCCCC1 ZINC001209447731 1372107974 /nfs/dbraw/zinc/10/79/74/1372107974.db2.gz FJYLLZGGVPORKY-KRWDZBQOSA-N 2 0 339.524 3.194 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC001209452182 1372108773 /nfs/dbraw/zinc/10/87/73/1372108773.db2.gz GQXNGHZNGATODZ-NRFANRHFSA-N 2 0 329.532 3.459 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCN(CCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC001209453713 1372110506 /nfs/dbraw/zinc/11/05/06/1372110506.db2.gz KNAWFMVTULEBIR-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001209566119 1372137521 /nfs/dbraw/zinc/13/75/21/1372137521.db2.gz PEOJXRSFJKILHK-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCCC1 ZINC001121971824 1372139195 /nfs/dbraw/zinc/13/91/95/1372139195.db2.gz HKSVOQSTXXFDDG-YZGWKJHDSA-N 2 0 347.547 3.007 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)[nH]1 ZINC001209571774 1372139895 /nfs/dbraw/zinc/13/98/95/1372139895.db2.gz LNEHTSZFRNRBKA-GOSISDBHSA-N 2 0 343.471 3.172 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585859 1372143637 /nfs/dbraw/zinc/14/36/37/1372143637.db2.gz RLJGCVLYKRNCFN-QRQLOZEOSA-N 2 0 339.568 3.226 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)C(C)C ZINC001209584974 1372143818 /nfs/dbraw/zinc/14/38/18/1372143818.db2.gz FMDRLUCLEFBLFO-KURKYZTESA-N 2 0 339.568 3.226 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001209615963 1372152642 /nfs/dbraw/zinc/15/26/42/1372152642.db2.gz XTOXFJJJXANEHT-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1ccccc1)C2 ZINC001122022868 1372155486 /nfs/dbraw/zinc/15/54/86/1372155486.db2.gz MCQVTSPQXSBXEP-WOLZCAMPSA-N 2 0 343.515 3.106 20 0 EGADRP Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001209659224 1372163285 /nfs/dbraw/zinc/16/32/85/1372163285.db2.gz ABJAHCGQPKKKKZ-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001122057363 1372164586 /nfs/dbraw/zinc/16/45/86/1372164586.db2.gz XLQMEBLACWXEFG-MBEFBZSESA-N 2 0 343.515 3.106 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1)[NH+](C)C ZINC001209668139 1372166163 /nfs/dbraw/zinc/16/61/63/1372166163.db2.gz BNTASFAQRYQQAD-SUFKLLJCSA-N 2 0 343.515 3.011 20 0 EGADRP C[NH+](C)CCCCC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001122093447 1372173182 /nfs/dbraw/zinc/17/31/82/1372173182.db2.gz BLORSSIQRHGOTL-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC001122197443 1372199028 /nfs/dbraw/zinc/19/90/28/1372199028.db2.gz MKDYLZSVCYFPMV-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122247946 1372211401 /nfs/dbraw/zinc/21/14/01/1372211401.db2.gz AVGGLWAFYQZMDE-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209939792 1372237725 /nfs/dbraw/zinc/23/77/25/1372237725.db2.gz ICXYFTWSLSSTEQ-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209952386 1372240042 /nfs/dbraw/zinc/24/00/42/1372240042.db2.gz QIVJXJHDVYYCET-VOFKWLDRSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001210183041 1372290016 /nfs/dbraw/zinc/29/00/16/1372290016.db2.gz KGOHXVQNSSZNAG-SFHVURJKSA-N 2 0 325.541 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210227509 1372299686 /nfs/dbraw/zinc/29/96/86/1372299686.db2.gz BYCRHYJVNBLOHD-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1OC(F)F ZINC001210268319 1372311054 /nfs/dbraw/zinc/31/10/54/1372311054.db2.gz YIQCENXCZGKZJM-UHFFFAOYSA-N 2 0 334.370 3.145 20 0 EGADRP CC(C)Oc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1F ZINC001210270426 1372312089 /nfs/dbraw/zinc/31/20/89/1372312089.db2.gz BGGDBDCDBAPOHA-UHFFFAOYSA-N 2 0 330.407 3.161 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001210426841 1372350664 /nfs/dbraw/zinc/35/06/64/1372350664.db2.gz AMAMPXQFHKRMJK-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584394 1372384952 /nfs/dbraw/zinc/38/49/52/1372384952.db2.gz GYEHLVUONYAFLG-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001210743609 1372417741 /nfs/dbraw/zinc/41/77/41/1372417741.db2.gz JTXLEYOJXXKLFO-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001210773481 1372424336 /nfs/dbraw/zinc/42/43/36/1372424336.db2.gz LJKHBJCRDLYUIR-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094649 1372484706 /nfs/dbraw/zinc/48/47/06/1372484706.db2.gz KKFODYUUGIRVOP-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001211125875 1372487837 /nfs/dbraw/zinc/48/78/37/1372487837.db2.gz KECCIKVVGSTGPX-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211262688 1372515149 /nfs/dbraw/zinc/51/51/49/1372515149.db2.gz WHIZIDPJGUCZTG-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262048 1372515175 /nfs/dbraw/zinc/51/51/75/1372515175.db2.gz KTMUTXBYFAWFRL-YSKLNCTFSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211336970 1372534045 /nfs/dbraw/zinc/53/40/45/1372534045.db2.gz HHFLFXQUHHNIIW-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001326481297 1388209803 /nfs/dbraw/zinc/20/98/03/1388209803.db2.gz QUDBEMGUXXJRMC-QGZVFWFLSA-N 2 0 345.531 3.341 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC001212806937 1372777037 /nfs/dbraw/zinc/77/70/37/1372777037.db2.gz CPAKZYDXSFIKRK-UHFFFAOYSA-N 2 0 343.471 3.311 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001127065893 1373079284 /nfs/dbraw/zinc/07/92/84/1373079284.db2.gz GUULPZYZWTYCIY-FXAWDEMLSA-N 2 0 345.531 3.450 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780424 1373118073 /nfs/dbraw/zinc/11/80/73/1373118073.db2.gz ZQMTUGQJFGSVIB-JMKDSLFWSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001127643924 1373152111 /nfs/dbraw/zinc/15/21/11/1373152111.db2.gz RKVHETAQTIUJQH-FRQCXROJSA-N 2 0 345.531 3.091 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001215020220 1373157850 /nfs/dbraw/zinc/15/78/50/1373157850.db2.gz PEKLZVPUXABHGH-JFIYKMOQSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001188139403 1388247774 /nfs/dbraw/zinc/24/77/74/1388247774.db2.gz NNQVYUDOQXXMKM-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188139332 1388247829 /nfs/dbraw/zinc/24/78/29/1388247829.db2.gz MAJOZBQRYBOEON-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215387905 1373204362 /nfs/dbraw/zinc/20/43/62/1373204362.db2.gz VPHIZXWVTNKQOS-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774367 1373236423 /nfs/dbraw/zinc/23/64/23/1373236423.db2.gz NETJNQJBYMDPFV-RTUSNTFBSA-N 2 0 335.536 3.042 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001216490384 1373311953 /nfs/dbraw/zinc/31/19/53/1373311953.db2.gz AQEVFILHMJCBFN-MISYRCLQSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001216506321 1373312373 /nfs/dbraw/zinc/31/23/73/1373312373.db2.gz GTOORKLUTPFFQW-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C)c1ccc(F)cc1 ZINC001216851694 1373351539 /nfs/dbraw/zinc/35/15/39/1373351539.db2.gz GKNBVIKIHIHWRS-ATZDWAIDSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001216979836 1373375013 /nfs/dbraw/zinc/37/50/13/1373375013.db2.gz CAXJZROEBCTKPJ-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001129422405 1373382364 /nfs/dbraw/zinc/38/23/64/1373382364.db2.gz IHUDIELUHDFZDG-HSSRVXSRSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001129421770 1373382720 /nfs/dbraw/zinc/38/27/20/1373382720.db2.gz BSPCHWHXWDKPCC-RBUKOAKNSA-N 2 0 345.531 3.333 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001129952873 1373439580 /nfs/dbraw/zinc/43/95/80/1373439580.db2.gz AUBDAKCUJVUQPA-UZLBHIALSA-N 2 0 341.499 3.193 20 0 EGADRP c1ccc(C[N@@H+]2CCCO[C@@H](COCCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217888200 1373510167 /nfs/dbraw/zinc/51/01/67/1373510167.db2.gz OLAJRMHXYNJLHG-TZIWHRDSSA-N 2 0 346.515 3.074 20 0 EGADRP [NH3+]Cc1cccc(CO[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001217908673 1373511262 /nfs/dbraw/zinc/51/12/62/1373511262.db2.gz IBRLBGXIOSWAOW-IBGZPJMESA-N 2 0 328.431 3.466 20 0 EGADRP CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@@H]3C[NH2+]CCOC3)c2C1 ZINC001218040650 1373545893 /nfs/dbraw/zinc/54/58/93/1373545893.db2.gz AZWANHQXTHGZCF-RBUKOAKNSA-N 2 0 346.515 3.033 20 0 EGADRP c1ccc(CN2CCc3ccc(O[C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)nc3C2)cc1 ZINC001218186092 1373574198 /nfs/dbraw/zinc/57/41/98/1373574198.db2.gz LQFXPCCOXMZNCC-ACDBMABISA-N 2 0 349.478 3.302 20 0 EGADRP CCC(=O)[C@H]1C[C@@H](Oc2cccc([C@H](CC)[C@@H](C)C[NH+](C)C)c2)C[NH2+]1 ZINC001218327659 1373596787 /nfs/dbraw/zinc/59/67/87/1373596787.db2.gz LSRLYOFCXQZHAO-YGWPLHOASA-N 2 0 346.515 3.466 20 0 EGADRP CC[C@]1(c2cccc(OCCO[C@H]3CC[NH2+]C3)c2)CCCC[N@H+](C)C1 ZINC001218388288 1373604962 /nfs/dbraw/zinc/60/49/62/1373604962.db2.gz QGUXAMYBBMADPC-SFTDATJTSA-N 2 0 346.515 3.207 20 0 EGADRP CC1(C)C[C@@H](Oc2nc3cc(F)ccc3n2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001218476448 1373621420 /nfs/dbraw/zinc/62/14/20/1373621420.db2.gz YUFDALNLMJJMAU-HNNXBMFYSA-N 2 0 346.450 3.009 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001218481843 1373622483 /nfs/dbraw/zinc/62/24/83/1373622483.db2.gz ABJNQMALEZCYHU-VLIAUNLRSA-N 2 0 327.472 3.354 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)C34CCC([NH3+])(CC3)CC4)cc2)CC1 ZINC001218822560 1373658125 /nfs/dbraw/zinc/65/81/25/1373658125.db2.gz MJMGQLZJHBFZHE-UHFFFAOYSA-N 2 0 341.499 3.486 20 0 EGADRP Cc1ccccc1Oc1ccccc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218851547 1373661133 /nfs/dbraw/zinc/66/11/33/1373661133.db2.gz RQMHKAWQYQCTJT-LJQANCHMSA-N 2 0 339.439 3.053 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001218948061 1373669241 /nfs/dbraw/zinc/66/92/41/1373669241.db2.gz LZTXETOLHKXWKE-SFHVURJKSA-N 2 0 325.456 3.062 20 0 EGADRP O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218946738 1373669314 /nfs/dbraw/zinc/66/93/14/1373669314.db2.gz ASMPQDINASQLNA-FQEVSTJZSA-N 2 0 349.478 3.090 20 0 EGADRP [NH3+][C@H](CC(=O)Nc1cccc2c1C[NH2+]C2)Cc1ccc2ccccc2c1 ZINC001218994142 1373675789 /nfs/dbraw/zinc/67/57/89/1373675789.db2.gz BWWTWYJWURKAKB-IBGZPJMESA-N 2 0 345.446 3.342 20 0 EGADRP C[C@]1(C(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)CCC[NH2+]1 ZINC001219486362 1373711625 /nfs/dbraw/zinc/71/16/25/1373711625.db2.gz IMBSQKSTCPYQKR-PZJWPPBQSA-N 2 0 341.499 3.110 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001221374192 1373771084 /nfs/dbraw/zinc/77/10/84/1373771084.db2.gz ACVJMICJNJGJBK-QZTJIDSGSA-N 2 0 331.504 3.141 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773730 1373792311 /nfs/dbraw/zinc/79/23/11/1373792311.db2.gz BKJZGHSOZWNCRQ-HSALFYBXSA-N 2 0 343.515 3.012 20 0 EGADRP CC1CCC(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001131799303 1373810501 /nfs/dbraw/zinc/81/05/01/1373810501.db2.gz MIXYZRMVAFWBMA-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP Clc1ccc(CC[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222400759 1373837144 /nfs/dbraw/zinc/83/71/44/1373837144.db2.gz GWKRZLCAZFPRNM-UHFFFAOYSA-N 2 0 343.298 3.238 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001326823101 1388321764 /nfs/dbraw/zinc/32/17/64/1388321764.db2.gz RFOUEPKTOHYPDC-SFHVURJKSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739048 1375072507 /nfs/dbraw/zinc/07/25/07/1375072507.db2.gz IFPMYORZWBJUOE-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)C(C)C ZINC001224884709 1375082567 /nfs/dbraw/zinc/08/25/67/1375082567.db2.gz ZNRZIKJNZXIMNP-LJQANCHMSA-N 2 0 339.568 3.227 20 0 EGADRP C[N@@H+]1CCC[C@H](OC[C@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152634 1375096879 /nfs/dbraw/zinc/09/68/79/1375096879.db2.gz XMLWLQFEGFUIRH-FPOVZHCZSA-N 2 0 346.515 3.167 20 0 EGADRP C[NH+](C)Cc1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001225332193 1375105122 /nfs/dbraw/zinc/10/51/22/1375105122.db2.gz IXCYDNMIMYFRFJ-OAQYLSRUSA-N 2 0 340.467 3.028 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CCCCC1 ZINC001132105464 1375150541 /nfs/dbraw/zinc/15/05/41/1375150541.db2.gz HLEOUUIHPHNLRO-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132105341 1375150703 /nfs/dbraw/zinc/15/07/03/1375150703.db2.gz FPMFXRSXEQQPBW-XXCOWLKOSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1CCCC1 ZINC001132111392 1375153043 /nfs/dbraw/zinc/15/30/43/1375153043.db2.gz QPBSGCSPENIDBR-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691307 1388361167 /nfs/dbraw/zinc/36/11/67/1388361167.db2.gz XRMLRXNFAODBMP-ZYHOBAKYSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CC1CCC1 ZINC001132141594 1375167199 /nfs/dbraw/zinc/16/71/99/1375167199.db2.gz SKEHNWZYJJDHTI-AEFFLSMTSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132140416 1375167669 /nfs/dbraw/zinc/16/76/69/1375167669.db2.gz IHZWQPOOVKJPSW-DOTOQJQBSA-N 2 0 342.487 3.416 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132152856 1375172631 /nfs/dbraw/zinc/17/26/31/1375172631.db2.gz JRHHQNFQISSIDI-HKUYNNGSSA-N 2 0 345.531 3.194 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132152515 1375173051 /nfs/dbraw/zinc/17/30/51/1375173051.db2.gz DICBRGQKYLAUBE-WMZOPIPTSA-N 2 0 335.536 3.186 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132174415 1375188668 /nfs/dbraw/zinc/18/86/68/1375188668.db2.gz UXOKTEJJVYBYOG-ZFTGLFDFSA-N 2 0 340.471 3.273 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132207202 1375208474 /nfs/dbraw/zinc/20/84/74/1375208474.db2.gz RAMRGCAIFRCTJG-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211051 1375211104 /nfs/dbraw/zinc/21/11/04/1375211104.db2.gz LMKKBKPCRCPKGX-MSOLQXFVSA-N 2 0 335.536 3.186 20 0 EGADRP Clc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc2c1OCCO2 ZINC001327006123 1388364270 /nfs/dbraw/zinc/36/42/70/1388364270.db2.gz WOENOMCOUBCOIH-UHFFFAOYSA-N 2 0 336.863 3.077 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297620 1375235315 /nfs/dbraw/zinc/23/53/15/1375235315.db2.gz WORYQIGHNMVAMS-GUDVDZBRSA-N 2 0 349.563 3.172 20 0 EGADRP CCc1nccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC001226323615 1375240354 /nfs/dbraw/zinc/24/03/54/1375240354.db2.gz QBWXYCYNNFLFRL-KZNAEPCWSA-N 2 0 348.535 3.460 20 0 EGADRP Cc1cc(C)c(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c(C)c1 ZINC001132266457 1375255318 /nfs/dbraw/zinc/25/53/18/1375255318.db2.gz XHQPVPBHAQTGPW-RBUKOAKNSA-N 2 0 345.531 3.033 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001226612931 1375292570 /nfs/dbraw/zinc/29/25/70/1375292570.db2.gz DKVBIKJWQSCEQF-GUDVDZBRSA-N 2 0 337.552 3.458 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001226773061 1375330697 /nfs/dbraw/zinc/33/06/97/1375330697.db2.gz BXPARIYLWZGSIR-AQNXPRMDSA-N 2 0 349.563 3.457 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435497 1375379927 /nfs/dbraw/zinc/37/99/27/1375379927.db2.gz FAUKITVBZZVIKR-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132440450 1375383531 /nfs/dbraw/zinc/38/35/31/1375383531.db2.gz AMWKHYLBOXMBFG-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001227159259 1375400027 /nfs/dbraw/zinc/40/00/27/1375400027.db2.gz YXRAEUAZDHUCDE-RTBURBONSA-N 2 0 345.531 3.242 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001227218696 1375408278 /nfs/dbraw/zinc/40/82/78/1375408278.db2.gz YIGLBWJDPOUPFR-IAGOWNOFSA-N 2 0 341.515 3.016 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132494660 1375424616 /nfs/dbraw/zinc/42/46/16/1375424616.db2.gz VSLXUCIUOSIOHB-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)cc1 ZINC001132519442 1375436792 /nfs/dbraw/zinc/43/67/92/1375436792.db2.gz YYBJBASZNARWMU-XLIONFOSSA-N 2 0 345.531 3.058 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)cc1C ZINC001132519331 1375437151 /nfs/dbraw/zinc/43/71/51/1375437151.db2.gz WUYFXSCYOWOZRT-UYAOXDASSA-N 2 0 345.531 3.113 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001227619807 1375454228 /nfs/dbraw/zinc/45/42/28/1375454228.db2.gz WTSYPMDWWHMVHL-VQIMIIECSA-N 2 0 349.494 3.008 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C\Cl)CCCC1 ZINC001227750372 1375471119 /nfs/dbraw/zinc/47/11/19/1375471119.db2.gz FGFFPHOPYZUJTH-BXCZJDEJSA-N 2 0 341.927 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227798455 1375477367 /nfs/dbraw/zinc/47/73/67/1375477367.db2.gz YYFBMIJAKPSWQQ-LJQANCHMSA-N 2 0 343.515 3.203 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001327102795 1388381471 /nfs/dbraw/zinc/38/14/71/1388381471.db2.gz VMGFUDITMLLTOP-MOPGFXCFSA-N 2 0 331.504 3.131 20 0 EGADRP CCc1cccc(C[NH+]2CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC2)c1 ZINC001228053940 1375512322 /nfs/dbraw/zinc/51/23/22/1375512322.db2.gz MDUWSRMDSNTNDG-UHFFFAOYSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001228138112 1375520429 /nfs/dbraw/zinc/52/04/29/1375520429.db2.gz OKWXFSCGGRHXCX-PTWHKANQSA-N 2 0 349.563 3.482 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1ccccc1 ZINC001228355395 1375555565 /nfs/dbraw/zinc/55/55/65/1375555565.db2.gz MSPDXCZFZHUXGQ-IPMKNSEASA-N 2 0 331.504 3.106 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC001228355883 1375555585 /nfs/dbraw/zinc/55/55/85/1375555585.db2.gz VHWRMPFNPOUNOR-XUVXKRRUSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790660 1375567368 /nfs/dbraw/zinc/56/73/68/1375567368.db2.gz IZXIRTSCXWIGMJ-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415994 1375568943 /nfs/dbraw/zinc/56/89/43/1375568943.db2.gz XTJMBLFVAZUENP-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001228595028 1375608549 /nfs/dbraw/zinc/60/85/49/1375608549.db2.gz QUBAHYFBNCIPRC-RCCFBDPRSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950912 1375667463 /nfs/dbraw/zinc/66/74/63/1375667463.db2.gz RTIFAEYPPUKIRM-WFRZBGSESA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012277 1375710007 /nfs/dbraw/zinc/71/00/07/1375710007.db2.gz QMNKJHCTRFZSTO-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228943683 1375722734 /nfs/dbraw/zinc/72/27/34/1375722734.db2.gz IGLIEQUXQRQEDN-OXJNMPFZSA-N 2 0 337.467 3.284 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC001229213897 1375789099 /nfs/dbraw/zinc/78/90/99/1375789099.db2.gz MYUGOWKOGGPECP-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP C[N@H+](CC(=O)NC1CC[NH+](CCC2CCCC2)CC1)CC(C)(C)C ZINC001229214071 1375789242 /nfs/dbraw/zinc/78/92/42/1375789242.db2.gz ADUREAPNSRWPBP-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2C(C)C)CC1)[NH+](C)C ZINC001229253501 1375795650 /nfs/dbraw/zinc/79/56/50/1375795650.db2.gz GAMUDCGLFVGMLS-FQEVSTJZSA-N 2 0 345.531 3.231 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133176987 1375824770 /nfs/dbraw/zinc/82/47/70/1375824770.db2.gz BQRKJFARQYUJHO-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001229686725 1375876265 /nfs/dbraw/zinc/87/62/65/1375876265.db2.gz YYRVMHGEFLYAQD-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229999609 1375928516 /nfs/dbraw/zinc/92/85/16/1375928516.db2.gz MLEHCHZNBKYPGJ-NRFANRHFSA-N 2 0 345.531 3.234 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC001230016558 1375931420 /nfs/dbraw/zinc/93/14/20/1375931420.db2.gz PZANKUYFVKCPKJ-FQEVSTJZSA-N 2 0 343.515 3.226 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001230036080 1375933991 /nfs/dbraw/zinc/93/39/91/1375933991.db2.gz ZTSZYFJWEZHJSA-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133360503 1375943181 /nfs/dbraw/zinc/94/31/81/1375943181.db2.gz MPGFLTSYMAMMBL-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001230113096 1375946175 /nfs/dbraw/zinc/94/61/75/1375946175.db2.gz QVPLBACURBZKSS-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001230274785 1375981440 /nfs/dbraw/zinc/98/14/40/1375981440.db2.gz LGTBJWOYVPHFQT-XUVXKRRUSA-N 2 0 345.531 3.495 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001230286772 1375985039 /nfs/dbraw/zinc/98/50/39/1375985039.db2.gz STBNEIJPXKVXOK-QRVBRYPASA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001133419673 1375997405 /nfs/dbraw/zinc/99/74/05/1375997405.db2.gz SXRPZMOAPOPALV-QFBILLFUSA-N 2 0 333.520 3.163 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230359898 1376008751 /nfs/dbraw/zinc/00/87/51/1376008751.db2.gz KSOLEQCVNCWYOY-GOSISDBHSA-N 2 0 343.515 3.204 20 0 EGADRP Nc1[nH]c2ccc(O[C@H]3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccccc3)C4)cc2[nH+]1 ZINC001230517271 1376049736 /nfs/dbraw/zinc/04/97/36/1376049736.db2.gz YJBSELLVHCYCQA-IGOJGBNBSA-N 2 0 348.450 3.435 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230617861 1376104030 /nfs/dbraw/zinc/10/40/30/1376104030.db2.gz GZSFYOOSTUSLDG-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)[NH+](CC)CC ZINC001133685155 1376154619 /nfs/dbraw/zinc/15/46/19/1376154619.db2.gz QOITYFHYWFZFFX-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001133845805 1376229045 /nfs/dbraw/zinc/22/90/45/1376229045.db2.gz NOARCNPKKORAML-IAGOWNOFSA-N 2 0 345.531 3.093 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001327196838 1388437879 /nfs/dbraw/zinc/43/78/79/1388437879.db2.gz XIUZMEUXIJKEEU-UXPWSPDFSA-N 2 0 343.515 3.195 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012242 1376382628 /nfs/dbraw/zinc/38/26/28/1376382628.db2.gz WPALBJNCNWDCHT-HNNXBMFYSA-N 2 0 344.459 3.442 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)cc1 ZINC001232014198 1376384309 /nfs/dbraw/zinc/38/43/09/1376384309.db2.gz ZXGOMWBMNJYKNH-BGYRXZFFSA-N 2 0 346.478 3.435 20 0 EGADRP CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232152485 1376410046 /nfs/dbraw/zinc/41/00/46/1376410046.db2.gz YIAUMZFTTPXEIJ-KRWDZBQOSA-N 2 0 336.451 3.053 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134368919 1376496197 /nfs/dbraw/zinc/49/61/97/1376496197.db2.gz CGIYEMWRQXQBCY-HNGSOEQISA-N 2 0 337.552 3.480 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584702 1376607960 /nfs/dbraw/zinc/60/79/60/1376607960.db2.gz WGHYDIMFWBREJX-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP COC(=O)/C=C/c1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001233298518 1376608130 /nfs/dbraw/zinc/60/81/30/1376608130.db2.gz NDDJPNNZLLKAPJ-MDZDMXLPSA-N 2 0 344.499 3.425 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001134583006 1376608594 /nfs/dbraw/zinc/60/85/94/1376608594.db2.gz COXSUANHSVMSPQ-IRXDYDNUSA-N 2 0 345.531 3.106 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134606961 1376622470 /nfs/dbraw/zinc/62/24/70/1376622470.db2.gz BSXLLFDRMMKLBG-DLBZAZTESA-N 2 0 345.531 3.106 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729469 1376682316 /nfs/dbraw/zinc/68/23/16/1376682316.db2.gz IPFIQHWLMGLLTJ-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134757578 1376703661 /nfs/dbraw/zinc/70/36/61/1376703661.db2.gz QARFLHZJGUFKDG-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001134759022 1376703670 /nfs/dbraw/zinc/70/36/70/1376703670.db2.gz FGYDMAXOQLOHIE-VQIMIIECSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001134762966 1376707605 /nfs/dbraw/zinc/70/76/05/1376707605.db2.gz IYQHBRBOLATHRF-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001134772234 1376712786 /nfs/dbraw/zinc/71/27/86/1376712786.db2.gz AIIPCFPRBWZMHE-GJZGRUSLSA-N 2 0 325.541 3.026 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001134774532 1376713492 /nfs/dbraw/zinc/71/34/92/1376713492.db2.gz ZFRFLJXMQVKQSM-HOTGVXAUSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001134774528 1376714127 /nfs/dbraw/zinc/71/41/27/1376714127.db2.gz ZAFYDDZULGEKLB-FGCJYXMVSA-N 2 0 345.531 3.303 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134781999 1376717431 /nfs/dbraw/zinc/71/74/31/1376717431.db2.gz CIQOOTLPHVKFTG-IBQUMJASSA-N 2 0 346.519 3.137 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001189110539 1388460574 /nfs/dbraw/zinc/46/05/74/1388460574.db2.gz RDPVYKBYTYBSBV-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001327245198 1388461162 /nfs/dbraw/zinc/46/11/62/1388461162.db2.gz HLJHOKGVFVGIQD-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001235017134 1376827847 /nfs/dbraw/zinc/82/78/47/1376827847.db2.gz BRHRMJHETGCVCF-QXAKKESOSA-N 2 0 338.495 3.344 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235338201 1376867839 /nfs/dbraw/zinc/86/78/39/1376867839.db2.gz VQRLBDQTRMLJHN-MOPGFXCFSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001235337608 1376868058 /nfs/dbraw/zinc/86/80/58/1376868058.db2.gz ULSOWMOZWUSWTK-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP Oc1cccc2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC001235427734 1376870261 /nfs/dbraw/zinc/87/02/61/1376870261.db2.gz NBDPIRPETJJBMZ-DLBZAZTESA-N 2 0 325.456 3.152 20 0 EGADRP COc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(C[NH3+])cc2)cc1 ZINC001235726070 1376887179 /nfs/dbraw/zinc/88/71/79/1376887179.db2.gz MEKWETDMTOGTAZ-LJQANCHMSA-N 2 0 328.481 3.444 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]C/C=C\Cl ZINC001135101014 1376898189 /nfs/dbraw/zinc/89/81/89/1376898189.db2.gz HSRZLYJIQJOPKN-OXSAEWAQSA-N 2 0 343.943 3.124 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100678 1376898734 /nfs/dbraw/zinc/89/87/34/1376898734.db2.gz FXKCKNVCYFJGDF-IRXDYDNUSA-N 2 0 345.531 3.077 20 0 EGADRP CC1(N2CC[NH+](Cc3csc4ccccc34)CC2)CC[NH2+]CC1 ZINC001235816739 1376899158 /nfs/dbraw/zinc/89/91/58/1376899158.db2.gz XXJURRHYOIFPEM-UHFFFAOYSA-N 2 0 329.513 3.161 20 0 EGADRP c1ccc(C[C@@H]2C[NH2+]CCN2C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235846955 1376901689 /nfs/dbraw/zinc/90/16/89/1376901689.db2.gz AMPKTWGEQWPTEO-XZOQPEGZSA-N 2 0 349.522 3.025 20 0 EGADRP CC1(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240311 1376944261 /nfs/dbraw/zinc/94/42/61/1376944261.db2.gz NAFRGSHAMDYBHT-JOCHJYFZSA-N 3 0 341.543 3.364 20 0 EGADRP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1C1CCCCC1 ZINC001237247800 1376978284 /nfs/dbraw/zinc/97/82/84/1376978284.db2.gz KAYSKMVFNFLORJ-KRWDZBQOSA-N 2 0 327.516 3.171 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccnc1OCc1ccccc1)CC2 ZINC001238778291 1377001583 /nfs/dbraw/zinc/00/15/83/1377001583.db2.gz PLXNMMJWQOJFFT-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1cc2ccccc2o1)NC(=O)CCC[NH+](C)C ZINC001135314412 1377033255 /nfs/dbraw/zinc/03/32/55/1377033255.db2.gz AJYJTNIBMRAVFT-HOTGVXAUSA-N 2 0 345.487 3.148 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC(F)(F)CC1)NC(=O)CCC[NH+](C)C ZINC001135314884 1377033693 /nfs/dbraw/zinc/03/36/93/1377033693.db2.gz IKNOISDDYRQASC-GJZGRUSLSA-N 2 0 347.494 3.027 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1C ZINC001135316636 1377034298 /nfs/dbraw/zinc/03/42/98/1377034298.db2.gz VOWXJDATFMUIEU-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246156221 1377050456 /nfs/dbraw/zinc/05/04/56/1377050456.db2.gz KFNUGWOUTCLZOT-RKHKHNFPSA-N 2 0 343.298 3.139 20 0 EGADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246546506 1377052115 /nfs/dbraw/zinc/05/21/15/1377052115.db2.gz GODQDLWYRZIWMM-YZGWKJHDSA-N 3 0 333.495 3.192 20 0 EGADRP Fc1cccc(CN([C@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001246937507 1377055594 /nfs/dbraw/zinc/05/55/94/1377055594.db2.gz PJPHGQFWFHNAJL-VQTJNVASSA-N 2 0 345.506 3.302 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372531 1377059562 /nfs/dbraw/zinc/05/95/62/1377059562.db2.gz RAJSNRFLKBCHRE-IRXDYDNUSA-N 2 0 333.520 3.135 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001135374763 1377061165 /nfs/dbraw/zinc/06/11/65/1377061165.db2.gz GCVQVAFMMVMCMU-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 ZINC001254509269 1377105042 /nfs/dbraw/zinc/10/50/42/1377105042.db2.gz XTOFDGXXQHKMNB-AWEZNQCLSA-N 2 0 326.366 3.441 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511121 1377105744 /nfs/dbraw/zinc/10/57/44/1377105744.db2.gz WCDCUFRXLKSRSY-GUDVDZBRSA-N 3 0 333.495 3.382 20 0 EGADRP C[N@H+]([C@H]1CCC[NH+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529470 1377106409 /nfs/dbraw/zinc/10/64/09/1377106409.db2.gz GHHLFVCTPUKAKH-QFBILLFUSA-N 2 0 339.524 3.192 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCC(C)(C)C ZINC001135477247 1377111551 /nfs/dbraw/zinc/11/15/51/1377111551.db2.gz UANKSIGBSOOEJW-CVEARBPZSA-N 2 0 327.557 3.273 20 0 EGADRP CCCC(CCC)[N@@H+]1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001257337779 1377114169 /nfs/dbraw/zinc/11/41/69/1377114169.db2.gz NBYCQIROKYLEAX-IBGZPJMESA-N 2 0 326.525 3.016 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258569509 1377117906 /nfs/dbraw/zinc/11/79/06/1377117906.db2.gz XTGSHUZCXFWHJF-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676503 1377180948 /nfs/dbraw/zinc/18/09/48/1377180948.db2.gz XJWXYJJGJJWZNJ-JKSUJKDBSA-N 2 0 331.504 3.035 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135743879 1377199917 /nfs/dbraw/zinc/19/99/17/1377199917.db2.gz RAKLIQWRDCBVIA-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135743881 1377200083 /nfs/dbraw/zinc/20/00/83/1377200083.db2.gz RAKLIQWRDCBVIA-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135858101 1377236778 /nfs/dbraw/zinc/23/67/78/1377236778.db2.gz SKQRDRAOGCDZTD-QWHCGFSZSA-N 2 0 345.940 3.116 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001135860930 1377238236 /nfs/dbraw/zinc/23/82/36/1377238236.db2.gz JSVKNILUCOJQDG-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP CCc1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860941 1377238316 /nfs/dbraw/zinc/23/83/16/1377238316.db2.gz JTECBGKQHGIKAJ-ZWKOTPCHSA-N 2 0 347.547 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135861712 1377238650 /nfs/dbraw/zinc/23/86/50/1377238650.db2.gz VYOTUZBCHYUCNX-IRXDYDNUSA-N 2 0 345.531 3.279 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001135944570 1377272734 /nfs/dbraw/zinc/27/27/34/1377272734.db2.gz MBWVLORXFBJOHZ-CABCVRRESA-N 2 0 346.519 3.070 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001266326605 1377273866 /nfs/dbraw/zinc/27/38/66/1377273866.db2.gz FVXNMJXYQXRDCP-JXFKEZNVSA-N 2 0 341.499 3.289 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961526 1377277441 /nfs/dbraw/zinc/27/74/41/1377277441.db2.gz RWMHAEGVMCKAIN-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CCC1=CCCCC1 ZINC001135974151 1377282718 /nfs/dbraw/zinc/28/27/18/1377282718.db2.gz JJOGSVWMYJXOFV-MSOLQXFVSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cs1 ZINC001135974679 1377283525 /nfs/dbraw/zinc/28/35/25/1377283525.db2.gz SUOMKTMLDNSEEG-CABCVRRESA-N 2 0 339.549 3.161 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001266546870 1377330830 /nfs/dbraw/zinc/33/08/30/1377330830.db2.gz YLOAGFIVEUFFQL-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1ccsc1 ZINC001136215242 1377365299 /nfs/dbraw/zinc/36/52/99/1377365299.db2.gz CFQYBUBMOBUCJE-QZTJIDSGSA-N 2 0 349.544 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001136465501 1377395335 /nfs/dbraw/zinc/39/53/35/1377395335.db2.gz OSMMUMRXTJGOGG-KRWDZBQOSA-N 2 0 347.503 3.260 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001266877357 1377399032 /nfs/dbraw/zinc/39/90/32/1377399032.db2.gz DFECKXGQKOOJHZ-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001266986978 1377407734 /nfs/dbraw/zinc/40/77/34/1377407734.db2.gz GSCXCITWGBBPDM-SJLPKXTDSA-N 2 0 325.541 3.027 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001267482271 1377446580 /nfs/dbraw/zinc/44/65/80/1377446580.db2.gz QGECOYKXDMOMHH-ROUUACIJSA-N 2 0 339.568 3.466 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c[nH]c2c1cccc2F ZINC001137057929 1377469117 /nfs/dbraw/zinc/46/91/17/1377469117.db2.gz WXQYTAMKOOHHAS-UHFFFAOYSA-N 2 0 334.483 3.012 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CC2)c1 ZINC001269148499 1377540742 /nfs/dbraw/zinc/54/07/42/1377540742.db2.gz DLPXEBQPRFSXMV-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP COC(=O)c1ccccc1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137789167 1377616302 /nfs/dbraw/zinc/61/63/02/1377616302.db2.gz DJPAJNGWCSROHU-GOSISDBHSA-N 2 0 330.472 3.314 20 0 EGADRP Oc1cccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001138397603 1377717240 /nfs/dbraw/zinc/71/72/40/1377717240.db2.gz XEWKMAPQKRPLBI-OALUTQOASA-N 2 0 337.467 3.131 20 0 EGADRP Cc1nccn1-c1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001138549862 1377740953 /nfs/dbraw/zinc/74/09/53/1377740953.db2.gz FHSPAEMTSYQGSW-UHFFFAOYSA-N 2 0 338.499 3.489 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC001139670715 1377930951 /nfs/dbraw/zinc/93/09/51/1377930951.db2.gz IIWMARIDCIRQKE-QGZVFWFLSA-N 2 0 337.895 3.461 20 0 EGADRP COc1ncc(Cl)cc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001139749911 1377946047 /nfs/dbraw/zinc/94/60/47/1377946047.db2.gz NIXPGYMJVLPBMP-UHFFFAOYSA-N 2 0 325.884 3.296 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(=O)n(C)c3ccccc23)CC1 ZINC001139757817 1377947991 /nfs/dbraw/zinc/94/79/91/1377947991.db2.gz XFURCZQSFGLQJG-UHFFFAOYSA-N 2 0 341.499 3.091 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3cnc(OC)s3)CC2)CC1 ZINC001139822039 1377956748 /nfs/dbraw/zinc/95/67/48/1377956748.db2.gz YDQWTMIZRBALPF-UHFFFAOYSA-N 2 0 337.533 3.486 20 0 EGADRP C[N@@H+](Cc1cnc(-c2ccccc2F)nc1)CC1CC[NH+](C)CC1 ZINC001140399075 1378057024 /nfs/dbraw/zinc/05/70/24/1378057024.db2.gz PSSVWJRORZNPBU-UHFFFAOYSA-N 2 0 328.435 3.056 20 0 EGADRP COc1cc(F)cc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001140483513 1378070847 /nfs/dbraw/zinc/07/08/47/1378070847.db2.gz USYOTMIWUJAKCX-RTBURBONSA-N 2 0 340.442 3.398 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(OC(F)F)c(O)c1)CC2 ZINC001140629840 1378101268 /nfs/dbraw/zinc/10/12/68/1378101268.db2.gz CEKDSQLPQKXJLU-UHFFFAOYSA-N 2 0 340.414 3.301 20 0 EGADRP CC[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)[NH+](CC)CC ZINC001140895870 1378174249 /nfs/dbraw/zinc/17/42/49/1378174249.db2.gz HKYUAWPNFODAEF-AZUAARDMSA-N 2 0 345.531 3.087 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CCCC(C)(C)C)C2 ZINC001276886076 1378191726 /nfs/dbraw/zinc/19/17/26/1378191726.db2.gz FWXQUJWSQNIONS-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC001140970492 1378195902 /nfs/dbraw/zinc/19/59/02/1378195902.db2.gz KIJJHKNBQVDYFQ-UHFFFAOYSA-N 2 0 341.421 3.213 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC3(CC(F)(F)C3)CC2)CC1 ZINC001140970694 1378196516 /nfs/dbraw/zinc/19/65/16/1378196516.db2.gz QNXFOCYEHPRTLZ-UHFFFAOYSA-N 2 0 349.469 3.450 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3ccsc3C2)CC1 ZINC001140974184 1378197999 /nfs/dbraw/zinc/19/79/99/1378197999.db2.gz WVGFGJGHUUJYSZ-UHFFFAOYSA-N 2 0 327.497 3.058 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2CC[NH+](CC3CCC3)C2)CC1 ZINC001277286464 1378216111 /nfs/dbraw/zinc/21/61/11/1378216111.db2.gz ZXEDPUKKOAGFRE-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1COCCO1 ZINC001277524315 1378230268 /nfs/dbraw/zinc/23/02/68/1378230268.db2.gz GHPSAGPDTBHGCX-NWJVMNJYSA-N 2 0 338.536 3.203 20 0 EGADRP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[NH+](C[C@H]1COCCO1)CC2 ZINC001277524618 1378230844 /nfs/dbraw/zinc/23/08/44/1378230844.db2.gz IKIUMORVCYLEBK-OALUTQOASA-N 2 0 338.536 3.016 20 0 EGADRP COc1cc(Cl)ncc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001141341266 1378306104 /nfs/dbraw/zinc/30/61/04/1378306104.db2.gz UZKDAOCLWBSCJU-UHFFFAOYSA-N 2 0 325.884 3.296 20 0 EGADRP c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccn5ccnc5c4)C[C@H]3CC2)c1 ZINC001279357520 1378306699 /nfs/dbraw/zinc/30/66/99/1378306699.db2.gz LWJAGZOFRDSDTD-KDURUIRLSA-N 2 0 349.482 3.006 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(OC4CCOCC4)cc3)C2)CC1 ZINC001141414881 1378321518 /nfs/dbraw/zinc/32/15/18/1378321518.db2.gz ZXKAODZZCRYFNX-UHFFFAOYSA-N 2 0 344.499 3.162 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH+](CC)CC)cc1 ZINC001141585110 1378346554 /nfs/dbraw/zinc/34/65/54/1378346554.db2.gz IOMMBGKCLGBOLY-OALUTQOASA-N 2 0 333.520 3.088 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001143252279 1378569497 /nfs/dbraw/zinc/56/94/97/1378569497.db2.gz YAAOXDOKIPUBLB-UHFFFAOYSA-N 2 0 339.474 3.474 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282715642 1378573426 /nfs/dbraw/zinc/57/34/26/1378573426.db2.gz BMJXUPCJNGIRKZ-APWZRJJASA-N 2 0 343.515 3.059 20 0 EGADRP COCCN(Cc1cc(F)c(OC)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143847696 1378652477 /nfs/dbraw/zinc/65/24/77/1378652477.db2.gz WMVBWSHGKYRBEH-UHFFFAOYSA-N 2 0 344.858 3.030 20 0 EGADRP c1cc2cccc(C[N@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2[nH]1 ZINC001144712318 1378762681 /nfs/dbraw/zinc/76/26/81/1378762681.db2.gz SEXKXLZEJRLXJB-UHFFFAOYSA-N 2 0 349.482 3.019 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001146391705 1378833202 /nfs/dbraw/zinc/83/32/02/1378833202.db2.gz IUKOHVSMUYZBAR-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001146591923 1378873325 /nfs/dbraw/zinc/87/33/25/1378873325.db2.gz IJABXWKGKUPWCR-CHWSQXEVSA-N 2 0 345.940 3.115 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001146593823 1378874012 /nfs/dbraw/zinc/87/40/12/1378874012.db2.gz QLIVWWIJMJJBDY-ROUUACIJSA-N 2 0 333.520 3.017 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)s1 ZINC001146603340 1378877204 /nfs/dbraw/zinc/87/72/04/1378877204.db2.gz XEALPTAYKPEWGG-KBPBESRZSA-N 2 0 339.549 3.078 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCCCC1 ZINC001146611650 1378877625 /nfs/dbraw/zinc/87/76/25/1378877625.db2.gz NILQNCKGUVXQFI-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146613163 1378877995 /nfs/dbraw/zinc/87/79/95/1378877995.db2.gz RMCVZMWNMXJCAN-QZTJIDSGSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001146612603 1378878186 /nfs/dbraw/zinc/87/81/86/1378878186.db2.gz QOIPTKYNZHSRJR-IAGOWNOFSA-N 2 0 349.494 3.075 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(C)C)o1 ZINC001146698971 1378899473 /nfs/dbraw/zinc/89/94/73/1378899473.db2.gz AZIQACIKMXSKMJ-CVEARBPZSA-N 2 0 337.508 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001147358696 1379008385 /nfs/dbraw/zinc/00/83/85/1379008385.db2.gz IMXFAOKFNFLJHO-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001147358660 1379008433 /nfs/dbraw/zinc/00/84/33/1379008433.db2.gz HUSUXXGWSLFTBA-UXHICEINSA-N 2 0 345.531 3.498 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001147359730 1379009141 /nfs/dbraw/zinc/00/91/41/1379009141.db2.gz URHKYPGOYQYZLG-WOJBJXKFSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001283705650 1379131817 /nfs/dbraw/zinc/13/18/17/1379131817.db2.gz URDBODUPOFALTR-IRXDYDNUSA-N 2 0 345.531 3.015 20 0 EGADRP C[N@H+](CC(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)C2)CC(C)(C)C ZINC001148315338 1379150335 /nfs/dbraw/zinc/15/03/35/1379150335.db2.gz IZOWZCGLHMBTEJ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148551946 1379209543 /nfs/dbraw/zinc/20/95/43/1379209543.db2.gz YMVJQQWAXAFPBH-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)(C)CC1)C2 ZINC001148651519 1379233951 /nfs/dbraw/zinc/23/39/51/1379233951.db2.gz HMLVLPDFPPBMDA-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001149137524 1379331973 /nfs/dbraw/zinc/33/19/73/1379331973.db2.gz CJEPNRHJJQNCEE-UYAOXDASSA-N 2 0 345.531 3.278 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001284025347 1379373649 /nfs/dbraw/zinc/37/36/49/1379373649.db2.gz IVSDLVGIGLIZAS-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H](C)C1 ZINC001327940205 1388628278 /nfs/dbraw/zinc/62/82/78/1388628278.db2.gz LXYMUTVXULMCKG-PXNSSMCTSA-N 2 0 345.531 3.088 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152149315 1379872684 /nfs/dbraw/zinc/87/26/84/1379872684.db2.gz XDAYHZIUIPXDFJ-IRXDYDNUSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237233 1379892223 /nfs/dbraw/zinc/89/22/23/1379892223.db2.gz KJPMNLDLVHTBPE-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391562 1379925950 /nfs/dbraw/zinc/92/59/50/1379925950.db2.gz CQIROLOORHIKOV-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c(C)c1 ZINC001152480211 1379940502 /nfs/dbraw/zinc/94/05/02/1379940502.db2.gz MWFBZRMIAFMAPJ-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CCc1cccc(C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C)c1 ZINC001284604313 1380004709 /nfs/dbraw/zinc/00/47/09/1380004709.db2.gz PNCZPJTXZJRKFM-RTBURBONSA-N 2 0 347.547 3.210 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CCCC2CCCC2)o1 ZINC001153266364 1380046578 /nfs/dbraw/zinc/04/65/78/1380046578.db2.gz GCKIWOIUUIZGLP-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153653690 1380110673 /nfs/dbraw/zinc/11/06/73/1380110673.db2.gz AJMWODJAXIAHKB-ZHJNCLIFSA-N 2 0 343.531 3.239 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCC1 ZINC001153677455 1380113735 /nfs/dbraw/zinc/11/37/35/1380113735.db2.gz FEHCKHPPDRFJRA-AEFFLSMTSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153827926 1380138023 /nfs/dbraw/zinc/13/80/23/1380138023.db2.gz BLAFJNPNVHEZPL-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033501 1380186959 /nfs/dbraw/zinc/18/69/59/1380186959.db2.gz BBWHCFMYJGUGEQ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033995 1380187273 /nfs/dbraw/zinc/18/72/73/1380187273.db2.gz SJRUDYRITOWFNO-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178431 1380222164 /nfs/dbraw/zinc/22/21/64/1380222164.db2.gz IYEZIZVHOYZYKE-MRXNPFEDSA-N 2 0 342.487 3.355 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579754 1380309054 /nfs/dbraw/zinc/30/90/54/1380309054.db2.gz CCKYADCTZUCACP-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCC1)[NH+](CC)CC ZINC001155180844 1380420315 /nfs/dbraw/zinc/42/03/15/1380420315.db2.gz SYAMIHWEIMTCFJ-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631073 1380476093 /nfs/dbraw/zinc/47/60/93/1380476093.db2.gz IZQVTKNXPQOQNA-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001155790987 1380492479 /nfs/dbraw/zinc/49/24/79/1380492479.db2.gz QEBDZEBWKRYUOK-VQIMIIECSA-N 2 0 331.504 3.061 20 0 EGADRP [NH3+]C1CCN(c2cccc(NCc3cnc4ccccc4c3)[nH+]2)CC1 ZINC001156175939 1380535954 /nfs/dbraw/zinc/53/59/54/1380535954.db2.gz IKTNGTQYWHGHDS-UHFFFAOYSA-N 2 0 333.439 3.169 20 0 EGADRP CC[NH+](CCCCc1ccccc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193872 1380539470 /nfs/dbraw/zinc/53/94/70/1380539470.db2.gz JOZOVJGRBUBGMD-LJQANCHMSA-N 2 0 347.547 3.178 20 0 EGADRP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001156318485 1380557453 /nfs/dbraw/zinc/55/74/53/1380557453.db2.gz BYFJDYYKVZTAQI-XLIONFOSSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341976 1380561617 /nfs/dbraw/zinc/56/16/17/1380561617.db2.gz PSIVQRAUXAIQCF-WIYYLYMNSA-N 2 0 345.531 3.256 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156342267 1380562327 /nfs/dbraw/zinc/56/23/27/1380562327.db2.gz XRNKVSLJMPHXTK-UTKZUKDTSA-N 2 0 345.531 3.090 20 0 EGADRP CC[N@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156466807 1380579710 /nfs/dbraw/zinc/57/97/10/1380579710.db2.gz VRBBUSUADHFWPB-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C)c1 ZINC001156510964 1380586068 /nfs/dbraw/zinc/58/60/68/1380586068.db2.gz WLYPUHKMAHTTCX-GOSISDBHSA-N 2 0 333.520 3.054 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCCC1CCC1 ZINC001156516727 1380587061 /nfs/dbraw/zinc/58/70/61/1380587061.db2.gz BHRRQYWBGAWOAT-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109036 1380777369 /nfs/dbraw/zinc/77/73/69/1380777369.db2.gz HDTLATUSPXRSTP-LJQANCHMSA-N 2 0 347.547 3.279 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157965097 1381084097 /nfs/dbraw/zinc/08/40/97/1381084097.db2.gz NMWXTMJEJOTBCX-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978209 1381090876 /nfs/dbraw/zinc/09/08/76/1381090876.db2.gz PORKNWPEZVYCRM-GUDVDZBRSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]C/C=C/c1ccccc1)[NH+]1CCCCC1 ZINC001158073242 1381121593 /nfs/dbraw/zinc/12/15/93/1381121593.db2.gz LTQNURWOBOFKRB-UKTHLTGXSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)c(C)c1 ZINC001158079471 1381122322 /nfs/dbraw/zinc/12/23/22/1381122322.db2.gz BNNFKEFJKFOBQE-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158289310 1381186965 /nfs/dbraw/zinc/18/69/65/1381186965.db2.gz CLOBQKSIPAQSEO-UXHICEINSA-N 2 0 347.547 3.140 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419102 1381240233 /nfs/dbraw/zinc/24/02/33/1381240233.db2.gz KMIMMVLJLGYQLC-IHHMQQGQSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437765 1381246371 /nfs/dbraw/zinc/24/63/71/1381246371.db2.gz BYKICPCJFPSZCT-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C/C=C/Cl)[NH+](CC)CC ZINC001158491140 1381266078 /nfs/dbraw/zinc/26/60/78/1381266078.db2.gz LCNBRVMQCNTLDY-NUKLPVDDSA-N 2 0 343.943 3.172 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1)[NH+](CC)CC ZINC001158491544 1381266467 /nfs/dbraw/zinc/26/64/67/1381266467.db2.gz RRNJIVZJDAVEOZ-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158857297 1381437821 /nfs/dbraw/zinc/43/78/21/1381437821.db2.gz ZLZDEZRFDQJDEF-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001158942837 1381477151 /nfs/dbraw/zinc/47/71/51/1381477151.db2.gz NRAGLYZBXPEGKF-QGZVFWFLSA-N 2 0 349.519 3.458 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159155289 1381675754 /nfs/dbraw/zinc/67/57/54/1381675754.db2.gz LYXNDLVPTOOJHU-OAHLLOKOSA-N 2 0 339.549 3.201 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328412259 1388739950 /nfs/dbraw/zinc/73/99/50/1388739950.db2.gz PRYREBSZXUTSBQ-FQEVSTJZSA-N 2 0 344.499 3.210 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(Nc2ccc(N3CC[C@@H]([NH3+])C3)nc2)cc1 ZINC001159328957 1381764761 /nfs/dbraw/zinc/76/47/61/1381764761.db2.gz QRPUZBDVLOCHMR-QGZVFWFLSA-N 2 0 339.487 3.108 20 0 EGADRP C[NH+]1CCN(c2cncc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)c2)CC1 ZINC001159372833 1381780095 /nfs/dbraw/zinc/78/00/95/1381780095.db2.gz YCEJTDPKZCZNMM-HXUWFJFHSA-N 2 0 337.471 3.002 20 0 EGADRP C[NH+]1CCN(c2cccc(Nc3ccc([C@H]4CC[NH2+]C4)cc3)c2)CC1 ZINC001159777890 1381896521 /nfs/dbraw/zinc/89/65/21/1381896521.db2.gz NMYOGZJYYMSCMU-SFHVURJKSA-N 2 0 336.483 3.259 20 0 EGADRP [NH3+]Cc1ccc(Nc2cc(F)ccc2OCC2CC[NH2+]CC2)cc1 ZINC001159889689 1381929060 /nfs/dbraw/zinc/92/90/60/1381929060.db2.gz PBFMFTKPURAPBH-UHFFFAOYSA-N 2 0 329.419 3.406 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001159902225 1381932466 /nfs/dbraw/zinc/93/24/66/1381932466.db2.gz VCTWXCXWWALAQL-HUQFFUELSA-N 2 0 343.515 3.059 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907914 1381934184 /nfs/dbraw/zinc/93/41/84/1381934184.db2.gz FIDLVMMXMPANNL-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159910787 1381934329 /nfs/dbraw/zinc/93/43/29/1381934329.db2.gz VCTJPLYOSVRCNV-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159980546 1381957949 /nfs/dbraw/zinc/95/79/49/1381957949.db2.gz VJQRCBMTJJYLBL-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP c1ccc(C2=CC[NH2+]CC2)c(Nc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001160023428 1381971001 /nfs/dbraw/zinc/97/10/01/1381971001.db2.gz OUXXWZXWHOELFG-UHFFFAOYSA-N 2 0 334.467 3.217 20 0 EGADRP [NH3+][C@@H]1CCN(c2ccc(F)cc2NC2=CC[C@H]([NH+]3CCCC3)CC2)C1 ZINC001160055530 1381984441 /nfs/dbraw/zinc/98/44/41/1381984441.db2.gz AGTGILWSFANZQR-AEFFLSMTSA-N 2 0 344.478 3.307 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120386 1382003355 /nfs/dbraw/zinc/00/33/55/1382003355.db2.gz MBARDMWPFOCSRX-HXUWFJFHSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+]1CCC(COc2ccc(NC=CC3CC[NH2+]CC3)cc2)CC1 ZINC001160126915 1382005926 /nfs/dbraw/zinc/00/59/26/1382005926.db2.gz GDPPHWOXVJQPEE-MDWZMJQESA-N 2 0 329.488 3.332 20 0 EGADRP CC(C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001328469006 1388756705 /nfs/dbraw/zinc/75/67/05/1388756705.db2.gz NUORMDUCHJLXBV-IBGZPJMESA-N 2 0 345.531 3.088 20 0 EGADRP Cc1cc(Nc2c(F)cccc2OCC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001160155627 1382019115 /nfs/dbraw/zinc/01/91/15/1382019115.db2.gz BKFXRDJHQGCHOZ-UHFFFAOYSA-N 2 0 329.419 3.381 20 0 EGADRP c1[nH+]cn(Cc2ccccc2)c1Nc1ccccc1O[C@@H]1CC[NH2+]C1 ZINC001160171712 1382024447 /nfs/dbraw/zinc/02/44/47/1382024447.db2.gz OPHNTKHYZZQMCW-QGZVFWFLSA-N 2 0 334.423 3.416 20 0 EGADRP c1ccc(C[N@H+]2CC=C(Nc3cccc4c3[C@@H]3C[NH2+]C[C@@H]3O4)CC2)cc1 ZINC001160397366 1382093081 /nfs/dbraw/zinc/09/30/81/1382093081.db2.gz XTPPXDGBFHMLEE-NQIIRXRSSA-N 2 0 347.462 3.336 20 0 EGADRP CC1CC(C[N@H+]2CC=C(CCNC(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001160400220 1382094510 /nfs/dbraw/zinc/09/45/10/1382094510.db2.gz LVIMPDPVMBJMFP-UUKMXZOPSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406531 1382095160 /nfs/dbraw/zinc/09/51/60/1382095160.db2.gz PMHWJJBTAFURPG-FQQSSWHASA-N 2 0 335.536 3.067 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001160426095 1382100706 /nfs/dbraw/zinc/10/07/06/1382100706.db2.gz DEPXMFGAKFXGFS-HKUYNNGSSA-N 2 0 333.520 3.047 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001160428289 1382101152 /nfs/dbraw/zinc/10/11/52/1382101152.db2.gz YWTJXBLICKLUOS-FQEVSTJZSA-N 2 0 347.547 3.067 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N(C)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001160696068 1382173242 /nfs/dbraw/zinc/17/32/42/1382173242.db2.gz UDJAANVFRDYSCU-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786899 1382195789 /nfs/dbraw/zinc/19/57/89/1382195789.db2.gz HLXMNXFTMGWVHK-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160786787 1382196010 /nfs/dbraw/zinc/19/60/10/1382196010.db2.gz DCZCHHFFGLNNHR-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@@H]1CCCC[C@@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001292582132 1382204234 /nfs/dbraw/zinc/20/42/34/1382204234.db2.gz KAWUSJMGBOBSQL-QRVBRYPASA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834965 1382212738 /nfs/dbraw/zinc/21/27/38/1382212738.db2.gz SKJVNRGZQOFKRM-SFHVURJKSA-N 2 0 343.515 3.028 20 0 EGADRP [NH3+]CCc1cn(-c2nccnc2Oc2ccccc2)c2cc[nH+]cc12 ZINC001160952085 1382249472 /nfs/dbraw/zinc/24/94/72/1382249472.db2.gz QIVPVEYYQAEPDG-UHFFFAOYSA-N 2 0 331.379 3.109 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)c1cc2c[nH]ccc-2n1)c1ccc(F)cc1 ZINC001160990310 1382263306 /nfs/dbraw/zinc/26/33/06/1382263306.db2.gz IFFKUCJODHMYSW-CYBMUJFWSA-N 2 0 340.402 3.173 20 0 EGADRP CC(C)C[C@@](C)([NH3+])C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001161058498 1382285511 /nfs/dbraw/zinc/28/55/11/1382285511.db2.gz WPPZOXRNQMGEDP-HXUWFJFHSA-N 2 0 349.494 3.012 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001161106745 1382298603 /nfs/dbraw/zinc/29/86/03/1382298603.db2.gz JEJZUAKLTGFSFX-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP Cc1[nH+]c(NCC2CC[NH+](C3CCOCC3)CC2)cc2[nH]ccc21 ZINC001161240430 1382351769 /nfs/dbraw/zinc/35/17/69/1382351769.db2.gz NSBNJRXKHNSWJB-UHFFFAOYSA-N 2 0 328.460 3.174 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC001161285008 1382360936 /nfs/dbraw/zinc/36/09/36/1382360936.db2.gz QNRZAXISSPKIKW-SFHVURJKSA-N 2 0 347.503 3.138 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N1CCC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC001161489902 1382421074 /nfs/dbraw/zinc/42/10/74/1382421074.db2.gz RIZQQEDOKXVIAF-FPOVZHCZSA-N 2 0 345.531 3.437 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001161496978 1382423401 /nfs/dbraw/zinc/42/34/01/1382423401.db2.gz MSTFPDMRLYRNQE-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001161643973 1382468469 /nfs/dbraw/zinc/46/84/69/1382468469.db2.gz GEVCJYJDLBDJBD-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCC2CCCCC2)CC1 ZINC001161645632 1382469692 /nfs/dbraw/zinc/46/96/92/1382469692.db2.gz OKDTTXPLTSGBFI-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001294614229 1382480038 /nfs/dbraw/zinc/48/00/38/1382480038.db2.gz KAERTDLMJIRLIU-QUCCMNQESA-N 2 0 349.563 3.362 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1 ZINC001161879483 1382538155 /nfs/dbraw/zinc/53/81/55/1382538155.db2.gz NIGPHMZYCHBDGI-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994031 1382592058 /nfs/dbraw/zinc/59/20/58/1382592058.db2.gz PKJDVOMAVCFPAO-LJQANCHMSA-N 2 0 349.563 3.437 20 0 EGADRP COc1cccc(C2(Nc3[nH+]ccc4c3ccn4C)CC[NH2+]CC2)c1 ZINC001161995638 1382593169 /nfs/dbraw/zinc/59/31/69/1382593169.db2.gz KZJPGTONSLRZLL-UHFFFAOYSA-N 2 0 336.439 3.273 20 0 EGADRP COc1cccc(CC2([NH3+])CCN(c3cc4[nH]ccc4c[nH+]3)CC2)c1 ZINC001162046147 1382613184 /nfs/dbraw/zinc/61/31/84/1382613184.db2.gz PJMSTDZODMLYGN-UHFFFAOYSA-N 2 0 336.439 3.112 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328651166 1388797676 /nfs/dbraw/zinc/79/76/76/1388797676.db2.gz QVISJEBDTMYVPE-WMZOPIPTSA-N 2 0 348.535 3.385 20 0 EGADRP F[C@]1(CNc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)CCCC[NH2+]C1 ZINC001162581067 1382797722 /nfs/dbraw/zinc/79/77/22/1382797722.db2.gz XQGAAHPKTZCKRM-HXUWFJFHSA-N 2 0 331.479 3.148 20 0 EGADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N[C@H]3C=C[C@@H]4C[NH2+]C[C@@H]43)c12 ZINC001162796608 1382875500 /nfs/dbraw/zinc/87/55/00/1382875500.db2.gz FXIIKAIOFVLZID-NEWSRXKRSA-N 2 0 330.435 3.271 20 0 EGADRP Cc1ccc2c(c1)[C@@H](Nc1cc[nH+]c(C)c1F)CC21CC[NH2+]CC1 ZINC001163037400 1382952580 /nfs/dbraw/zinc/95/25/80/1382952580.db2.gz QHNJSMOKNQQVOX-SFHVURJKSA-N 2 0 325.431 3.438 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163095074 1382963894 /nfs/dbraw/zinc/96/38/94/1382963894.db2.gz FHXWVBLGQNMDOW-IBGZPJMESA-N 2 0 343.515 3.161 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)cc2ccc(F)cc21 ZINC001163122278 1382970441 /nfs/dbraw/zinc/97/04/41/1382970441.db2.gz GCBCOSBVNFNBQP-UHFFFAOYSA-N 2 0 337.830 3.305 20 0 EGADRP Brc1cc2c[nH+]cn2c(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163230681 1383000871 /nfs/dbraw/zinc/00/08/71/1383000871.db2.gz QEJZEPPFEGDGJD-GFCCVEGCSA-N 2 0 349.257 3.415 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]C/C=C/c2ccccc2)CCCC1 ZINC001163297686 1383014740 /nfs/dbraw/zinc/01/47/40/1383014740.db2.gz QNWMKVXKAJNISL-XYOKQWHBSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001164455586 1383188417 /nfs/dbraw/zinc/18/84/17/1383188417.db2.gz DKUMSFXVAQAJOR-FUHWJXTLSA-N 2 0 349.494 3.105 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccsc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164501113 1383193806 /nfs/dbraw/zinc/19/38/06/1383193806.db2.gz SFYINYCWCGKTNT-SFHVURJKSA-N 2 0 349.544 3.141 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001164508668 1383194817 /nfs/dbraw/zinc/19/48/17/1383194817.db2.gz IADZHVJEBVTKRI-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514277 1383195136 /nfs/dbraw/zinc/19/51/36/1383195136.db2.gz NZULCAOQBRVZNL-RURPWVQCSA-N 2 0 349.563 3.482 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1c(F)cccc1O[C@H]1CC[NH2+]C1 ZINC001165213478 1383249462 /nfs/dbraw/zinc/24/94/62/1383249462.db2.gz FMXRKXBFEULVDM-HNNXBMFYSA-N 2 0 329.419 3.372 20 0 EGADRP c1cc(Nc2ccc(O[C@H]3CC[NH2+]C3)nc2)ccc1C[NH+]1CCCC1 ZINC001165213201 1383249743 /nfs/dbraw/zinc/24/97/43/1383249743.db2.gz ZJSULMOJFOUKEO-IBGZPJMESA-N 2 0 338.455 3.162 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001165246958 1383257829 /nfs/dbraw/zinc/25/78/29/1383257829.db2.gz XESOLXMNIDGGPC-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNc2c[nH+]c3cccc(Br)n23)C1 ZINC001165289610 1383266961 /nfs/dbraw/zinc/26/69/61/1383266961.db2.gz GTJNWZMUIMGFAC-GFCCVEGCSA-N 2 0 337.265 3.241 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNc2ccc(COC3CC[NH2+]CC3)cc2)C1 ZINC001165291451 1383267495 /nfs/dbraw/zinc/26/74/95/1383267495.db2.gz ZRBLZPKPQOCYKG-QGZVFWFLSA-N 2 0 331.504 3.099 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165331709 1383274741 /nfs/dbraw/zinc/27/47/41/1383274741.db2.gz ARYCDVDCVJQDPR-GHOSXJJBSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165484744 1383300895 /nfs/dbraw/zinc/30/08/95/1383300895.db2.gz IGQAZFQZOPZVPK-IBGZPJMESA-N 2 0 347.547 3.236 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165568281 1383311424 /nfs/dbraw/zinc/31/14/24/1383311424.db2.gz HIIWMBDTUDNHGF-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165569345 1383311822 /nfs/dbraw/zinc/31/18/22/1383311822.db2.gz XAWDZYYTIGIENS-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165569367 1383311913 /nfs/dbraw/zinc/31/19/13/1383311913.db2.gz XTHPWPJGYOXEML-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165729079 1383334205 /nfs/dbraw/zinc/33/42/05/1383334205.db2.gz YKKADFQLIYIYIJ-YQHFQFMOSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C)[NH+](CC)CC ZINC001166439313 1383422437 /nfs/dbraw/zinc/42/24/37/1383422437.db2.gz FDWJIUUSNJRJQY-HKUYNNGSSA-N 2 0 333.520 3.272 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001166626588 1383449436 /nfs/dbraw/zinc/44/94/36/1383449436.db2.gz HIHXQWWFHCYYMK-KRWDZBQOSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1ccc(CCC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001166744542 1383470016 /nfs/dbraw/zinc/47/00/16/1383470016.db2.gz ZFWBRUAAUIEVTK-UHFFFAOYSA-N 2 0 347.547 3.001 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]C[C@H](C)CC)CC2)C1 ZINC001166793255 1383478220 /nfs/dbraw/zinc/47/82/20/1383478220.db2.gz HDIFYWJVLAYWAN-QZTJIDSGSA-N 2 0 337.552 3.031 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793406 1383478289 /nfs/dbraw/zinc/47/82/89/1383478289.db2.gz MNYCQCLOYSRYLB-UEKDZROGSA-N 2 0 349.563 3.341 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001166842488 1383486404 /nfs/dbraw/zinc/48/64/04/1383486404.db2.gz JPNHNZMZQOSQCQ-HKUYNNGSSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001166842509 1383486448 /nfs/dbraw/zinc/48/64/48/1383486448.db2.gz KLZUPTNZZZFWCO-HKUYNNGSSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328782128 1388860133 /nfs/dbraw/zinc/86/01/33/1388860133.db2.gz WYHPOJIKDFGUIQ-YLJYHZDGSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385509 1383619079 /nfs/dbraw/zinc/61/90/79/1383619079.db2.gz HDCDHNHLOPPOQA-HMECNJMJSA-N 2 0 349.563 3.483 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385512 1383619302 /nfs/dbraw/zinc/61/93/02/1383619302.db2.gz HDCDHNHLOPPOQA-VZSQWMKGSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001167636346 1383694998 /nfs/dbraw/zinc/69/49/98/1383694998.db2.gz SRHZOERXWAAZDT-LPHOPBHVSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167640309 1383695759 /nfs/dbraw/zinc/69/57/59/1383695759.db2.gz MHMGLDRZTYJMGM-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167704918 1383717179 /nfs/dbraw/zinc/71/71/79/1383717179.db2.gz CQNCINMJKAOGON-UHFFFAOYSA-N 2 0 349.563 3.031 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742654 1383726952 /nfs/dbraw/zinc/72/69/52/1383726952.db2.gz RPXYECFZXIMTFE-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167759222 1383734025 /nfs/dbraw/zinc/73/40/25/1383734025.db2.gz DBAHYEQQIHBLCP-UHFFFAOYSA-N 2 0 346.519 3.218 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001167784043 1383739738 /nfs/dbraw/zinc/73/97/38/1383739738.db2.gz KHSYMGCXALVZSA-CEXWTWQISA-N 2 0 349.563 3.031 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001167812227 1383746216 /nfs/dbraw/zinc/74/62/16/1383746216.db2.gz ITQQDRUVNRIPIR-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC001167823290 1383749373 /nfs/dbraw/zinc/74/93/73/1383749373.db2.gz KHKMXADYVIFNCV-JXFKEZNVSA-N 2 0 329.488 3.093 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]2(C[C@@H](CCOC)CO2)C1 ZINC001167823497 1383749699 /nfs/dbraw/zinc/74/96/99/1383749699.db2.gz LLUSVLSOFIUGMA-XUVXKRRUSA-N 2 0 340.552 3.405 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 ZINC001167826707 1383750355 /nfs/dbraw/zinc/75/03/55/1383750355.db2.gz QJHAMRLIKQJZNG-HBFSDRIKSA-N 2 0 343.515 3.092 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)n1cc2c(cccc2N2CC[NH2+]CC2)n1 ZINC001167833676 1383753376 /nfs/dbraw/zinc/75/33/76/1383753376.db2.gz DGVVHQGQVRIMKW-KRWDZBQOSA-N 2 0 343.519 3.129 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167840109 1383755759 /nfs/dbraw/zinc/75/57/59/1383755759.db2.gz DUVCSNDNKNKEHU-BRWVUGGUSA-N 2 0 339.524 3.048 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC001167840104 1383756016 /nfs/dbraw/zinc/75/60/16/1383756016.db2.gz DTVSRZCWQRRZHS-IBGZPJMESA-N 2 0 345.531 3.345 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001167841106 1383756808 /nfs/dbraw/zinc/75/68/08/1383756808.db2.gz KEAJDSQNABYEHZ-QFBILLFUSA-N 2 0 332.488 3.269 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167963815 1383780369 /nfs/dbraw/zinc/78/03/69/1383780369.db2.gz FJKWBLLZBXHBIO-NUIAMIPMSA-N 2 0 349.519 3.037 20 0 EGADRP OC[C@@H](Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967511 1383781394 /nfs/dbraw/zinc/78/13/94/1383781394.db2.gz GJECULRKYBSZRT-MSRNWOCLSA-N 2 0 348.918 3.238 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001167976339 1383784229 /nfs/dbraw/zinc/78/42/29/1383784229.db2.gz AXDVRBCTYXBVTI-MRXNPFEDSA-N 2 0 334.508 3.045 20 0 EGADRP CCc1noc([C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167994680 1383790681 /nfs/dbraw/zinc/79/06/81/1383790681.db2.gz KDCDSWSEWGTHPE-XNHLSEOASA-N 2 0 344.503 3.217 20 0 EGADRP CC(=O)N(C(C)C)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168003205 1383794184 /nfs/dbraw/zinc/79/41/84/1383794184.db2.gz JVEOLDLDECQZSY-WCRBZPEASA-N 2 0 347.547 3.113 20 0 EGADRP C[C@H]1CC([NH2+]CCOc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012566 1383796573 /nfs/dbraw/zinc/79/65/73/1383796573.db2.gz CCVNEQKTFMDMRP-ROUUACIJSA-N 2 0 339.483 3.492 20 0 EGADRP CCOC(=O)[C@H]1C[C@@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168020451 1383798258 /nfs/dbraw/zinc/79/82/58/1383798258.db2.gz NBGSSAGSCNFRMY-ZTTFOMCMSA-N 2 0 344.499 3.359 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024750 1383799125 /nfs/dbraw/zinc/79/91/25/1383799125.db2.gz IOJHPWBFLQEBAQ-KOUHRCEDSA-N 2 0 347.522 3.452 20 0 EGADRP CC(=O)NCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026879 1383799985 /nfs/dbraw/zinc/79/99/85/1383799985.db2.gz LVAOMGHYZBGYKL-RMFSNUHRSA-N 2 0 345.531 3.324 20 0 EGADRP COC(=O)CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168034074 1383801550 /nfs/dbraw/zinc/80/15/50/1383801550.db2.gz OFSVMPVEEHQMPW-IZZQQSIFSA-N 2 0 332.488 3.361 20 0 EGADRP C[C@H]1CC(N2CCC([NH+](C)C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168038921 1383802338 /nfs/dbraw/zinc/80/23/38/1383802338.db2.gz AEQZHGFUMHKSTJ-ROUUACIJSA-N 2 0 329.532 3.454 20 0 EGADRP CC[N@@H+]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001168063364 1383808395 /nfs/dbraw/zinc/80/83/95/1383808395.db2.gz AMABMBBWWJOCGZ-GUDVDZBRSA-N 2 0 329.532 3.454 20 0 EGADRP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCO[C@@H](C)C2)c1 ZINC001168101230 1383816762 /nfs/dbraw/zinc/81/67/62/1383816762.db2.gz KQZQIIXKDMVGQH-DSLXNQLJSA-N 2 0 332.488 3.335 20 0 EGADRP CC1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001168217877 1383846768 /nfs/dbraw/zinc/84/67/68/1383846768.db2.gz QRJBSWXPHCPGGO-BCKAPOECSA-N 2 0 343.515 3.183 20 0 EGADRP CN(C[C@H](O)C[N@@H+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285327 1383863675 /nfs/dbraw/zinc/86/36/75/1383863675.db2.gz SRHVUSKESHQNDI-FPOVZHCZSA-N 2 0 330.516 3.176 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(c3ncccc3Cl)CC2)CC1 ZINC001168298525 1383866880 /nfs/dbraw/zinc/86/68/80/1383866880.db2.gz ZKUSYOZBZUXIOM-UHFFFAOYSA-N 2 0 336.911 3.166 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC001168314330 1383871772 /nfs/dbraw/zinc/87/17/72/1383871772.db2.gz DVXGULOTAQTSMP-RMKNXTFCSA-N 2 0 327.516 3.190 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001168324745 1383873310 /nfs/dbraw/zinc/87/33/10/1383873310.db2.gz WAEQSZKXTJJSDQ-UHFFFAOYSA-N 2 0 339.524 3.191 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001168324017 1383873466 /nfs/dbraw/zinc/87/34/66/1383873466.db2.gz GMJISYKTILJLIU-UHFFFAOYSA-N 2 0 339.524 3.191 20 0 EGADRP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329186 1383874591 /nfs/dbraw/zinc/87/45/91/1383874591.db2.gz OXBBXYAKHUSNER-MWXLCCTBSA-N 2 0 329.532 3.456 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001168330555 1383875218 /nfs/dbraw/zinc/87/52/18/1383875218.db2.gz RWYQCIXGCUGBNB-UEKLYDJUSA-N 2 0 327.516 3.066 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168330207 1383875368 /nfs/dbraw/zinc/87/53/68/1383875368.db2.gz NHCATPWUHYDNAS-LADRWXRNSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168335182 1383875848 /nfs/dbraw/zinc/87/58/48/1383875848.db2.gz AQOBIGGIPASOEL-LJQANCHMSA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001168345271 1383879294 /nfs/dbraw/zinc/87/92/94/1383879294.db2.gz MWXCIBCPMODFRL-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389420 1383892592 /nfs/dbraw/zinc/89/25/92/1383892592.db2.gz PIJFXAJYAXENGF-QGZVFWFLSA-N 2 0 344.499 3.315 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]3CN(C4CC[NH+](CC5CC5)CC4)C[C@@H]32)cc1 ZINC001168389394 1383892818 /nfs/dbraw/zinc/89/28/18/1383892818.db2.gz NOEIMDZNPMUEFC-IRLDBZIGSA-N 2 0 339.527 3.067 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CC[NH+]1C1CCCC1 ZINC001306525647 1383894458 /nfs/dbraw/zinc/89/44/58/1383894458.db2.gz YVNBTBNZQLCOKI-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP Fc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001168415320 1383900396 /nfs/dbraw/zinc/90/03/96/1383900396.db2.gz NQJIHTMOPIRRSI-NRFANRHFSA-N 2 0 346.490 3.164 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168454234 1383910568 /nfs/dbraw/zinc/91/05/68/1383910568.db2.gz AZZVCMSZSIZBGT-ONEGZZNKSA-N 2 0 349.563 3.485 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001168454986 1383911197 /nfs/dbraw/zinc/91/11/97/1383911197.db2.gz PEIVVFXSKALKKZ-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001168470032 1383915077 /nfs/dbraw/zinc/91/50/77/1383915077.db2.gz WHLGHQZCKCJFQJ-INIZCTEOSA-N 2 0 334.479 3.237 20 0 EGADRP CC(C)[N@H+](C)Cc1nn([C@@H](C)Cc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001168487714 1383921665 /nfs/dbraw/zinc/92/16/65/1383921665.db2.gz PXRTVOBTTAIHPU-HNNXBMFYSA-N 2 0 344.478 3.312 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)CCO2)cc1 ZINC001168609290 1383947735 /nfs/dbraw/zinc/94/77/35/1383947735.db2.gz GHOULHZZIYXUAE-PZJWPPBQSA-N 2 0 344.499 3.379 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+]C3CCC(CC[NH3+])CC3)CCO2)cc1 ZINC001168614881 1383948880 /nfs/dbraw/zinc/94/88/80/1383948880.db2.gz MFPTZFSWNFMEQI-YFYIHBKUSA-N 2 0 332.488 3.413 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC001168653256 1383959702 /nfs/dbraw/zinc/95/97/02/1383959702.db2.gz PGYGOUDAGTUISB-PKOBYXMFSA-N 2 0 333.520 3.210 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)cc[nH+]1 ZINC001168741839 1383987874 /nfs/dbraw/zinc/98/78/74/1383987874.db2.gz BDJQIIVDBIWHJA-QGZVFWFLSA-N 2 0 327.859 3.333 20 0 EGADRP Cc1ccc(F)cc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001307483591 1383997339 /nfs/dbraw/zinc/99/73/39/1383997339.db2.gz YOKHUGWOMLKOFD-SFHVURJKSA-N 2 0 347.478 3.413 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CN1C(=O)OC(C)(C)C ZINC001168806206 1384013443 /nfs/dbraw/zinc/01/34/43/1384013443.db2.gz JUYRNKOTCMPWRV-QAPCUYQASA-N 2 0 347.503 3.236 20 0 EGADRP C[NH+](C)Cc1cccc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])n1 ZINC001168993441 1384081236 /nfs/dbraw/zinc/08/12/36/1384081236.db2.gz JHZBXKACAMTOHU-UHFFFAOYSA-N 2 0 343.862 3.027 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC1CC[NH+](C2CC2)CC1 ZINC001308188362 1384106880 /nfs/dbraw/zinc/10/68/80/1384106880.db2.gz HBCSJQACXGFYFH-UHFFFAOYSA-N 2 0 329.532 3.361 20 0 EGADRP COCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC(F)(F)CC1 ZINC001169119613 1384109650 /nfs/dbraw/zinc/10/96/50/1384109650.db2.gz VSWLOZKOJJYJEA-MUJYYYPQSA-N 2 0 330.463 3.433 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131704 1384111090 /nfs/dbraw/zinc/11/10/90/1384111090.db2.gz XWWCLRASCDHDOI-BJWYYQGGSA-N 2 0 349.519 3.087 20 0 EGADRP Cc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001169145722 1384114252 /nfs/dbraw/zinc/11/42/52/1384114252.db2.gz TZRRXFKJPAVTQZ-JXXFODFXSA-N 2 0 345.535 3.208 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1C[C@@H]1c1ccccc1 ZINC001308740817 1384146292 /nfs/dbraw/zinc/14/62/92/1384146292.db2.gz OMRQWTNVWPWEDR-NJDAHSKKSA-N 2 0 329.532 3.138 20 0 EGADRP CN(Cc1ccccc1)C1(C[NH2+]Cc2ccc3nonc3c2)CCC1 ZINC001308775705 1384149413 /nfs/dbraw/zinc/14/94/13/1384149413.db2.gz RVDHMUQYFSPERY-UHFFFAOYSA-N 2 0 336.439 3.367 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169542432 1384157840 /nfs/dbraw/zinc/15/78/40/1384157840.db2.gz VTXWNSQLKHHJAU-SCTDSRPQSA-N 2 0 345.531 3.180 20 0 EGADRP C[N@@H+]1CCCC[C@H]1c1ccc(N2CCCc3ccc(C[NH3+])nc32)nc1 ZINC001169590989 1384162623 /nfs/dbraw/zinc/16/26/23/1384162623.db2.gz SQWGUZORGQTJAB-SFHVURJKSA-N 2 0 337.471 3.176 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc(N2CC[NH2+]CC2)c1 ZINC001169692425 1384174461 /nfs/dbraw/zinc/17/44/61/1384174461.db2.gz SXKGLLNEHZUXON-FQEVSTJZSA-N 2 0 336.483 3.336 20 0 EGADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169755586 1384182940 /nfs/dbraw/zinc/18/29/40/1384182940.db2.gz CUVJGDJAKJTMES-LYBXBRPPSA-N 2 0 343.515 3.001 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809579 1384187807 /nfs/dbraw/zinc/18/78/07/1384187807.db2.gz JBFCZBMKQSEXMU-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169810067 1384187840 /nfs/dbraw/zinc/18/78/40/1384187840.db2.gz NYQAFPYQBMGELP-YLJYHZDGSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001169959503 1384205451 /nfs/dbraw/zinc/20/54/51/1384205451.db2.gz YJAWADVIGFKCPM-MRXNPFEDSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)C1 ZINC001170145897 1384249025 /nfs/dbraw/zinc/24/90/25/1384249025.db2.gz WUZRDQUUGFMOMR-QUCCMNQESA-N 2 0 343.515 3.185 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001170523663 1384335021 /nfs/dbraw/zinc/33/50/21/1384335021.db2.gz HNPJQJKTDBMWKW-RTBURBONSA-N 2 0 336.520 3.210 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(F)cn3)c3ccccc23)CC1 ZINC001170528369 1384336144 /nfs/dbraw/zinc/33/61/44/1384336144.db2.gz NUWAPKJILYWSOI-UHFFFAOYSA-N 2 0 338.430 3.130 20 0 EGADRP Cc1ccc(C)c(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)[nH+]1 ZINC001170715234 1384372576 /nfs/dbraw/zinc/37/25/76/1384372576.db2.gz QYQPFOBLPNEVCU-MXVIHJGJSA-N 2 0 342.531 3.449 20 0 EGADRP CC1(C)[C@@H]2C[C@@H]([NH2+]CC3(O)CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001170727285 1384374003 /nfs/dbraw/zinc/37/40/03/1384374003.db2.gz KTMPYVKPVHFOPU-LDLYASANSA-N 2 0 328.500 3.038 20 0 EGADRP COc1cccc(CC2([NH3+])CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)c1 ZINC001170738389 1384375503 /nfs/dbraw/zinc/37/55/03/1384375503.db2.gz LNODPWVXBGYEQQ-GGPHIMKMSA-N 2 0 328.500 3.466 20 0 EGADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4[C@H](CCN4Cc4nccs4)C3)C[C@@H]21 ZINC001170752065 1384378700 /nfs/dbraw/zinc/37/87/00/1384378700.db2.gz UDBMTMTVYNPPOS-MTSZKFMLSA-N 2 0 331.529 3.474 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170768997 1384382621 /nfs/dbraw/zinc/38/26/21/1384382621.db2.gz CCCGYDNSMUBTEK-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CC1CC(F)(F)C1 ZINC001170877486 1384403375 /nfs/dbraw/zinc/40/33/75/1384403375.db2.gz VUZWSIZCHUOMGO-UHFFFAOYSA-N 2 0 347.494 3.030 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CCc3ccc(Br)cc3C1)CC2 ZINC001170885822 1384404932 /nfs/dbraw/zinc/40/49/32/1384404932.db2.gz OQYZUGCASHQUTR-KRWDZBQOSA-N 2 0 349.316 3.334 20 0 EGADRP CC1(C)c2ccc(N[C@H]([NH3+])CCC[NH3+])cc2N(c2ccccc2)C1=O ZINC001170904842 1384408334 /nfs/dbraw/zinc/40/83/34/1384408334.db2.gz QLHBPEQLSUJBPY-SFHVURJKSA-N 2 0 338.455 3.078 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001171175728 1384461264 /nfs/dbraw/zinc/46/12/64/1384461264.db2.gz UOOMVHXJJDGLTB-MOPGFXCFSA-N 2 0 335.536 3.093 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171245964 1384477523 /nfs/dbraw/zinc/47/75/23/1384477523.db2.gz CMCOSARPYFGWSK-IEBWSBKVSA-N 2 0 337.552 3.458 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171248316 1384478097 /nfs/dbraw/zinc/47/80/97/1384478097.db2.gz SERGLIOLNYEUQC-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171317027 1384493470 /nfs/dbraw/zinc/49/34/70/1384493470.db2.gz CTIGKWGGHIYHTC-UYAOXDASSA-N 2 0 345.531 3.326 20 0 EGADRP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC3(C[NH+](C)C3)CC1)CC2 ZINC001171326006 1384494891 /nfs/dbraw/zinc/49/48/91/1384494891.db2.gz INBGXQXYUYBYQL-AWEZNQCLSA-N 2 0 334.891 3.234 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508547 1384545447 /nfs/dbraw/zinc/54/54/47/1384545447.db2.gz FQJQQPNCXMVZQA-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171522283 1384549817 /nfs/dbraw/zinc/54/98/17/1384549817.db2.gz VNMOCJWHXRCMIZ-MGPQQGTHSA-N 2 0 326.406 3.424 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171545296 1384558788 /nfs/dbraw/zinc/55/87/88/1384558788.db2.gz DHCOVJXQQNOEOI-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C(C)(C)C ZINC001171601714 1384576475 /nfs/dbraw/zinc/57/64/75/1384576475.db2.gz KYHWAYVMGUOAMW-CAOSSQGBSA-N 2 0 339.524 3.270 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618889 1384581856 /nfs/dbraw/zinc/58/18/56/1384581856.db2.gz NMRDBKICLLSRCR-SFHVURJKSA-N 2 0 346.519 3.139 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1(C)C ZINC001171622998 1384582919 /nfs/dbraw/zinc/58/29/19/1384582919.db2.gz GHPSCTILDFARRH-INIZCTEOSA-N 2 0 326.431 3.239 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC1(C)C ZINC001171625515 1384584769 /nfs/dbraw/zinc/58/47/69/1384584769.db2.gz KSMGXYQAXODQJN-HKUYNNGSSA-N 2 0 343.515 3.247 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC1(C)C ZINC001171627256 1384585164 /nfs/dbraw/zinc/58/51/64/1384585164.db2.gz NTNWRCHVHYSUFG-UHFFFAOYSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+]1C(C)(C)CC(n2nc(C(F)(F)F)c3c2C[NH2+]CC3)CC1(C)C ZINC001171641398 1384589368 /nfs/dbraw/zinc/58/93/68/1384589368.db2.gz FUMSWOVFGXMIME-UHFFFAOYSA-N 2 0 344.425 3.372 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171664483 1384595700 /nfs/dbraw/zinc/59/57/00/1384595700.db2.gz AOZVPFKCPOOCPL-HXUWFJFHSA-N 2 0 331.548 3.276 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683712 1384601979 /nfs/dbraw/zinc/60/19/79/1384601979.db2.gz PULMHMZRZYDAFG-INIZCTEOSA-N 2 0 342.487 3.403 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171725944 1384614684 /nfs/dbraw/zinc/61/46/84/1384614684.db2.gz QDXQLWRVJXLSKS-WIYYLYMNSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H]1C[C@H](n2nc(-c3ccncc3)cc2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171733980 1384619414 /nfs/dbraw/zinc/61/94/14/1384619414.db2.gz KVMKHJFKESZHGB-JXFKEZNVSA-N 2 0 347.466 3.239 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744838 1384623649 /nfs/dbraw/zinc/62/36/49/1384623649.db2.gz IHMJFDJTSGTUAS-ZFMNYDKASA-N 2 0 329.532 3.358 20 0 EGADRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788607 1384637341 /nfs/dbraw/zinc/63/73/41/1384637341.db2.gz SMCPRITWNHASIS-SFHVURJKSA-N 2 0 342.433 3.468 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH+]1CCC(COCC[NH+]3CCCC3)CC1)C2 ZINC001171795506 1384639811 /nfs/dbraw/zinc/63/98/11/1384639811.db2.gz XVTKHMLZAUEQLC-IBGZPJMESA-N 2 0 346.490 3.117 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812244 1384646875 /nfs/dbraw/zinc/64/68/75/1384646875.db2.gz NIZBFZPXMODTJP-HZPDHXFCSA-N 2 0 330.476 3.259 20 0 EGADRP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171963792 1384697237 /nfs/dbraw/zinc/69/72/37/1384697237.db2.gz JJDSJOHSUHFYFR-IBGZPJMESA-N 2 0 338.499 3.360 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171974710 1384701182 /nfs/dbraw/zinc/70/11/82/1384701182.db2.gz AKNYMGROYHYGJO-PMACEKPBSA-N 2 0 339.483 3.148 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977918 1384702177 /nfs/dbraw/zinc/70/21/77/1384702177.db2.gz UWUCDDYLCXRHOF-MISYRCLQSA-N 2 0 329.532 3.359 20 0 EGADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062757 1384714817 /nfs/dbraw/zinc/71/48/17/1384714817.db2.gz RXCWPCMPFTVOFC-BURNTYAHSA-N 2 0 327.516 3.256 20 0 EGADRP O=c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH]1 ZINC001172066583 1384717037 /nfs/dbraw/zinc/71/70/37/1384717037.db2.gz ZZAGWHZOMGSBSQ-OWZKRDHZSA-N 2 0 337.467 3.463 20 0 EGADRP C[NH+](C)[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172080843 1384722200 /nfs/dbraw/zinc/72/22/00/1384722200.db2.gz YAYIPOXZASHBLY-WOZUAGRISA-N 2 0 327.516 3.208 20 0 EGADRP CN1CC2(C1)CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001172084120 1384722340 /nfs/dbraw/zinc/72/23/40/1384722340.db2.gz USGKNAPDJQGCKW-WKCHPHFGSA-N 2 0 339.527 3.210 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102221 1384727593 /nfs/dbraw/zinc/72/75/93/1384727593.db2.gz LAGLPUKAQUHZJA-NCYKPQTJSA-N 2 0 327.516 3.113 20 0 EGADRP CC(C)N(CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172109127 1384727919 /nfs/dbraw/zinc/72/79/19/1384727919.db2.gz GSJGTKXEIQSPFC-OSYLJGHBSA-N 2 0 339.524 3.237 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CCOCC1)C2 ZINC001172107776 1384728554 /nfs/dbraw/zinc/72/85/54/1384728554.db2.gz CCRGBWNUIAPOLZ-OSYLJGHBSA-N 2 0 332.463 3.436 20 0 EGADRP CC[C@H](CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001172116500 1384733506 /nfs/dbraw/zinc/73/35/06/1384733506.db2.gz HOYGKJLHUOGJOW-WCXIOVBPSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001172127590 1384735975 /nfs/dbraw/zinc/73/59/75/1384735975.db2.gz JOPULIMOXMAXGE-MJUUVYJYSA-N 2 0 327.516 3.208 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1CSc2ccccc2C1 ZINC001172205428 1384747558 /nfs/dbraw/zinc/74/75/58/1384747558.db2.gz WKDINNZGDJDNIQ-MRXNPFEDSA-N 2 0 335.561 3.179 20 0 EGADRP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)O4)CC3)c1 ZINC001172228112 1384752591 /nfs/dbraw/zinc/75/25/91/1384752591.db2.gz WQFDEQYQOVITEY-IHWFROFDSA-N 2 0 341.499 3.080 20 0 EGADRP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001172246493 1384754832 /nfs/dbraw/zinc/75/48/32/1384754832.db2.gz JZTZFVLYQLUNNW-UHFFFAOYSA-N 2 0 339.483 3.339 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CCCC(C)(C)C)CC2)[NH+](C)C ZINC001316998921 1384755746 /nfs/dbraw/zinc/75/57/46/1384755746.db2.gz RLRJIWRXBWIIBT-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1CN1CC[NH+](C)CC1 ZINC001172315186 1384768087 /nfs/dbraw/zinc/76/80/87/1384768087.db2.gz FZQXFBHSYQGVBL-RTBURBONSA-N 2 0 347.547 3.117 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001172326492 1384770201 /nfs/dbraw/zinc/77/02/01/1384770201.db2.gz BIVHTEFCXAFSMW-QZTJIDSGSA-N 2 0 340.552 3.308 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172333011 1384772028 /nfs/dbraw/zinc/77/20/28/1384772028.db2.gz IZHFPSUAGWZITO-XMTFNYHQSA-N 2 0 326.525 3.331 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)CC2)C1 ZINC001172381780 1384781965 /nfs/dbraw/zinc/78/19/65/1384781965.db2.gz ICCAKCBXLHFXOB-DODZYUBVSA-N 2 0 336.520 3.161 20 0 EGADRP CC[C@H](CC(C)C)[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001172398072 1384783833 /nfs/dbraw/zinc/78/38/33/1384783833.db2.gz NPHGKGYGKFYCIF-GOSISDBHSA-N 2 0 348.535 3.116 20 0 EGADRP CC(C)OCC[C@@H](C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172446999 1384793806 /nfs/dbraw/zinc/79/38/06/1384793806.db2.gz ORFIQYCTABADNC-IAGOWNOFSA-N 2 0 326.525 3.202 20 0 EGADRP c1ccc([C@@H]2CCC[C@H]([NH+]3CCN(CC[NH+]4CCCC4)CC3)C2)cc1 ZINC001172553260 1384810463 /nfs/dbraw/zinc/81/04/63/1384810463.db2.gz PASVMVRJACJKCJ-YADHBBJMSA-N 2 0 341.543 3.426 20 0 EGADRP c1ccc([C@@H]2CCC[C@@H]([NH+]3CCN(CC[NH+]4CCCC4)CC3)C2)cc1 ZINC001172553258 1384810539 /nfs/dbraw/zinc/81/05/39/1384810539.db2.gz PASVMVRJACJKCJ-FGZHOGPDSA-N 2 0 341.543 3.426 20 0 EGADRP CC1(C)CC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC(C)(C)O1 ZINC001172653988 1384826554 /nfs/dbraw/zinc/82/65/54/1384826554.db2.gz RRBFLHWCSPHERG-UHFFFAOYSA-N 2 0 338.536 3.203 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723120 1384838908 /nfs/dbraw/zinc/83/89/08/1384838908.db2.gz OHAHKZUICPAKNY-GOSISDBHSA-N 2 0 327.859 3.333 20 0 EGADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC001172728051 1384839483 /nfs/dbraw/zinc/83/94/83/1384839483.db2.gz WHCMAXBZOQIUOB-QAQDUYKDSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)CCC(C)(C)[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172803934 1384855913 /nfs/dbraw/zinc/85/59/13/1384855913.db2.gz CWESFFNCADIVBZ-MQVJKMGUSA-N 2 0 337.508 3.013 20 0 EGADRP CN(C)C1(C[NH2+]C2CCC(Cc3ccccc3)CC2)CC[NH+](C)CC1 ZINC001172817951 1384857995 /nfs/dbraw/zinc/85/79/95/1384857995.db2.gz DOERKBLHUYZPNW-UHFFFAOYSA-N 2 0 343.559 3.404 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172831002 1384860717 /nfs/dbraw/zinc/86/07/17/1384860717.db2.gz LPTONXSGXFCCLO-JOCHJYFZSA-N 2 0 343.559 3.202 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172856217 1384866263 /nfs/dbraw/zinc/86/62/63/1384866263.db2.gz FRPPJMHWSADCAG-DAXOMENPSA-N 2 0 340.870 3.381 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001172944052 1384885479 /nfs/dbraw/zinc/88/54/79/1384885479.db2.gz OOSVGXPVSKOROB-INIZCTEOSA-N 2 0 349.519 3.483 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001172960673 1384890625 /nfs/dbraw/zinc/89/06/25/1384890625.db2.gz XKOYZYAQBFGESA-HNNXBMFYSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001172965125 1384891921 /nfs/dbraw/zinc/89/19/21/1384891921.db2.gz YRFZSPKBDFUVIF-GTPINHCMSA-N 2 0 341.540 3.342 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH3+])CN1C(=O)OC(C)(C)C ZINC001173054027 1384902240 /nfs/dbraw/zinc/90/22/40/1384902240.db2.gz UZAMVIIYZXKNKV-PBHICJAKSA-N 2 0 333.476 3.023 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075835 1384908267 /nfs/dbraw/zinc/90/82/67/1384908267.db2.gz LRMGYMPNMFIMLK-SJORKVTESA-N 2 0 341.540 3.438 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(-c3ncon3)cc2)CC1 ZINC001173102522 1384914992 /nfs/dbraw/zinc/91/49/92/1384914992.db2.gz ZKGDPGJLYRMCBM-UHFFFAOYSA-N 2 0 328.460 3.479 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001173106575 1384915622 /nfs/dbraw/zinc/91/56/22/1384915622.db2.gz YOMBQCQNHKWJPL-UHFFFAOYSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC001173108019 1384916440 /nfs/dbraw/zinc/91/64/40/1384916440.db2.gz BGDPKFHKWKYSHR-UHFFFAOYSA-N 2 0 344.547 3.242 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)CC1 ZINC001173111298 1384916743 /nfs/dbraw/zinc/91/67/43/1384916743.db2.gz VDHYHNIDLMWLNN-NSKBAKJYSA-N 2 0 330.516 3.317 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H](Oc3ncncc3C)C2)CC1 ZINC001173113100 1384917907 /nfs/dbraw/zinc/91/79/07/1384917907.db2.gz HERFOHJMIKPKCT-ACBHZAAOSA-N 2 0 346.519 3.281 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cnc(C4CC4)nc3C2)CC1 ZINC001173114246 1384917994 /nfs/dbraw/zinc/91/79/94/1384917994.db2.gz BWSINQSFTIUHPA-UHFFFAOYSA-N 2 0 328.504 3.365 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(Cc3cccc(N)c3)CC2)CC1 ZINC001173115488 1384918512 /nfs/dbraw/zinc/91/85/12/1384918512.db2.gz DEFHDGAKROVVIZ-UHFFFAOYSA-N 2 0 344.547 3.039 20 0 EGADRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173126708 1384919431 /nfs/dbraw/zinc/91/94/31/1384919431.db2.gz QMCQUEARXLGTIF-INIZCTEOSA-N 2 0 345.487 3.176 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173131619 1384920630 /nfs/dbraw/zinc/92/06/30/1384920630.db2.gz LFJIOGXJUBJSMR-BRWVUGGUSA-N 2 0 342.512 3.168 20 0 EGADRP CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280985 1384950304 /nfs/dbraw/zinc/95/03/04/1384950304.db2.gz QRGTWSUARNEXMI-CWJKEVGVSA-N 2 0 343.515 3.183 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C)[NH+](C)C ZINC001317179485 1384953461 /nfs/dbraw/zinc/95/34/61/1384953461.db2.gz SYLIUOAREGYVPQ-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317190902 1384964506 /nfs/dbraw/zinc/96/45/06/1384964506.db2.gz ZINQEPPUKMQHSI-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]CCCC1CC[NH+](C)CC1)CC2 ZINC001173606784 1384987442 /nfs/dbraw/zinc/98/74/42/1384987442.db2.gz QXWGENPTTPJLEH-QPIRBTGLSA-N 2 0 336.520 3.210 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001173621609 1384990291 /nfs/dbraw/zinc/99/02/91/1384990291.db2.gz YUBBFGWXUQKZCP-VQTJNVASSA-N 2 0 344.499 3.494 20 0 EGADRP C[C@@H]1CC([NH2+]CC(C)(C)C[NH+](C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173675628 1385001699 /nfs/dbraw/zinc/00/16/99/1385001699.db2.gz VSVSWKPQZAIOCY-HUUCEWRRSA-N 2 0 341.540 3.340 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001317355054 1385102005 /nfs/dbraw/zinc/10/20/05/1385102005.db2.gz KUTAVYHYKRAGAH-UXHICEINSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001317362867 1385105328 /nfs/dbraw/zinc/10/53/28/1385105328.db2.gz HVIFERPLZFDXJL-WOJBJXKFSA-N 2 0 345.531 3.244 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174927374 1385170934 /nfs/dbraw/zinc/17/09/34/1385170934.db2.gz DJHKRXZRWNAREH-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)c1occc1C[NH+](C)C ZINC001174927937 1385171065 /nfs/dbraw/zinc/17/10/65/1385171065.db2.gz HUUQOAZMYGTRPO-HNNXBMFYSA-N 2 0 335.492 3.020 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCC[NH+](C)C ZINC001174961787 1385175348 /nfs/dbraw/zinc/17/53/48/1385175348.db2.gz OOOWXEQDLFKJNB-XBMUEBEBSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1C1CC1)NC(=O)CC[NH+](C)C ZINC001175047883 1385186119 /nfs/dbraw/zinc/18/61/19/1385186119.db2.gz DDNHSBSDTSLVDB-QGZVFWFLSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001175048692 1385186221 /nfs/dbraw/zinc/18/62/21/1385186221.db2.gz JTAFASPDPQGLGY-OAHLLOKOSA-N 2 0 339.911 3.056 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)CC[NH+](C)C ZINC001175048371 1385186267 /nfs/dbraw/zinc/18/62/67/1385186267.db2.gz IBFZVHSZAMLZBV-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175057244 1385187477 /nfs/dbraw/zinc/18/74/77/1385187477.db2.gz XWQTWHDJCPNKOW-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175108891 1385196478 /nfs/dbraw/zinc/19/64/78/1385196478.db2.gz WMFAQSZYAXKMPA-ZWKOTPCHSA-N 2 0 327.557 3.418 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001175115661 1385197477 /nfs/dbraw/zinc/19/74/77/1385197477.db2.gz UUBQVQVRMNPDPJ-NVXWUHKLSA-N 2 0 339.549 3.099 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)[NH+](CC)CC ZINC001175217735 1385223294 /nfs/dbraw/zinc/22/32/94/1385223294.db2.gz JLSYUVWPRLHZDH-CJDUSVOKSA-N 2 0 331.932 3.124 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001317514365 1385228390 /nfs/dbraw/zinc/22/83/90/1385228390.db2.gz VFKOTISYIITYKL-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256572 1385231101 /nfs/dbraw/zinc/23/11/01/1385231101.db2.gz MGXJADATCQFVPU-OXUXSNCKSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC001175256918 1385231284 /nfs/dbraw/zinc/23/12/84/1385231284.db2.gz QNMBMCIBEYFFGB-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP [NH3+]CC1CCC([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC1 ZINC001335947484 1388973284 /nfs/dbraw/zinc/97/32/84/1388973284.db2.gz JROQZBGLIINVPV-UHFFFAOYSA-N 2 0 338.499 3.195 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317536397 1385267289 /nfs/dbraw/zinc/26/72/89/1385267289.db2.gz NVFOGDUVJJHCMM-OALUTQOASA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175566696 1385334338 /nfs/dbraw/zinc/33/43/38/1385334338.db2.gz YGGIFPUGWNEDOQ-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581258 1385338653 /nfs/dbraw/zinc/33/86/53/1385338653.db2.gz JTONACKKJJRBQW-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1F ZINC001317637029 1385367745 /nfs/dbraw/zinc/36/77/45/1385367745.db2.gz UWWUXLKDDFKHLV-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175711306 1385381601 /nfs/dbraw/zinc/38/16/01/1385381601.db2.gz SDSYRDBPSAMHBF-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC(C)C ZINC001175738164 1385390445 /nfs/dbraw/zinc/39/04/45/1385390445.db2.gz GVUFOHINBGCOMA-GOSISDBHSA-N 2 0 327.557 3.419 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175768760 1385399987 /nfs/dbraw/zinc/39/99/87/1385399987.db2.gz NITASHWGJQUMGK-LPADLIQXSA-N 2 0 325.541 3.339 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001175770156 1385400333 /nfs/dbraw/zinc/40/03/33/1385400333.db2.gz XUPQWJMUAAVNGT-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335986005 1388983306 /nfs/dbraw/zinc/98/33/06/1388983306.db2.gz IDTWXLGVXWAQLQ-CZUORRHYSA-N 2 0 344.421 3.449 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001175786774 1385405771 /nfs/dbraw/zinc/40/57/71/1385405771.db2.gz PLAYZBOSHUONSF-YLJYHZDGSA-N 2 0 345.531 3.280 20 0 EGADRP CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(C(C)C)cc1 ZINC001317711033 1385412194 /nfs/dbraw/zinc/41/21/94/1385412194.db2.gz GZDKISVVAVNLAO-SFHVURJKSA-N 2 0 331.504 3.061 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176033592 1385467152 /nfs/dbraw/zinc/46/71/52/1385467152.db2.gz SORQRBRUBQYIOT-IBGZPJMESA-N 2 0 347.547 3.226 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001176112318 1385487709 /nfs/dbraw/zinc/48/77/09/1385487709.db2.gz POEAKPSNMYVPAH-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001176166578 1385500923 /nfs/dbraw/zinc/50/09/23/1385500923.db2.gz SKDDQMZKRKELEM-AZUAARDMSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165466 1385501192 /nfs/dbraw/zinc/50/11/92/1385501192.db2.gz MPNXPDLGJNIYLR-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165242 1385501224 /nfs/dbraw/zinc/50/12/24/1385501224.db2.gz KGGAFHUZJFNXBO-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001317809587 1385506826 /nfs/dbraw/zinc/50/68/26/1385506826.db2.gz QBWQFHPNGZTPHK-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCCC[NH+](C)C ZINC001176230859 1385520946 /nfs/dbraw/zinc/52/09/46/1385520946.db2.gz NXJOZYCUKOXWRI-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176269568 1385533055 /nfs/dbraw/zinc/53/30/55/1385533055.db2.gz VTKAIENMTQHLIQ-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176279791 1385536717 /nfs/dbraw/zinc/53/67/17/1385536717.db2.gz QGLWTUMVLHDZRI-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001176285740 1385538276 /nfs/dbraw/zinc/53/82/76/1385538276.db2.gz QIEGTSKIVICZEW-GFOMBABLSA-N 2 0 325.541 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001176286934 1385539476 /nfs/dbraw/zinc/53/94/76/1385539476.db2.gz ZSIGPDHJSCGWCL-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC001318054294 1385618340 /nfs/dbraw/zinc/61/83/40/1385618340.db2.gz KVPQMWGXYDJHIK-HXUWFJFHSA-N 2 0 345.531 3.409 20 0 EGADRP c1nn(CC[NH+]2CCCC2)cc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001176558113 1385625043 /nfs/dbraw/zinc/62/50/43/1385625043.db2.gz ACAPWJKRTNDSIG-UHFFFAOYSA-N 2 0 339.487 3.318 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001176739147 1385677387 /nfs/dbraw/zinc/67/73/87/1385677387.db2.gz UMOJUYFKLBASKY-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176738234 1385677398 /nfs/dbraw/zinc/67/73/98/1385677398.db2.gz PTWYRLVJQFMHKY-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176753023 1385683462 /nfs/dbraw/zinc/68/34/62/1385683462.db2.gz CFWIJFRKRPNUIW-GOSISDBHSA-N 2 0 333.520 3.100 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176754125 1385683723 /nfs/dbraw/zinc/68/37/23/1385683723.db2.gz RCGIGMIGONVQOJ-CPPNXCSESA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176758814 1385685888 /nfs/dbraw/zinc/68/58/88/1385685888.db2.gz FSQRHLOPVDRKRX-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CCc1cccc(C[N@H+]2CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C2)c1 ZINC001318486294 1385719240 /nfs/dbraw/zinc/71/92/40/1385719240.db2.gz XAMRLGGEZNFFCD-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)(C)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001318544675 1385747869 /nfs/dbraw/zinc/74/78/69/1385747869.db2.gz CRSOADSNEXIUJV-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]CCC2CCCC2)o1 ZINC001177317734 1385911942 /nfs/dbraw/zinc/91/19/42/1385911942.db2.gz DKIMPNLECZPLII-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177332709 1385917392 /nfs/dbraw/zinc/91/73/92/1385917392.db2.gz QKHSJYSAOLRKPD-IBGZPJMESA-N 2 0 345.531 3.418 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)c1ccccc1F ZINC001177336831 1385918951 /nfs/dbraw/zinc/91/89/51/1385918951.db2.gz YPMWRUJJIQEQHO-QGZVFWFLSA-N 2 0 349.494 3.249 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001177357105 1385928405 /nfs/dbraw/zinc/92/84/05/1385928405.db2.gz WBFRNAPOCYNFIO-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177481216 1385972628 /nfs/dbraw/zinc/97/26/28/1385972628.db2.gz OAHNRIFYQOLLFY-ONEGZZNKSA-N 2 0 349.563 3.437 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177480902 1385972944 /nfs/dbraw/zinc/97/29/44/1385972944.db2.gz FQPVOXPKAVDCBF-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)c1ccccc1C[NH+](C)C ZINC001177488430 1385975787 /nfs/dbraw/zinc/97/57/87/1385975787.db2.gz CFDBWMZRPHPNDS-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP C[C@@H](Cc1ccsc1)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319394417 1386101724 /nfs/dbraw/zinc/10/17/24/1386101724.db2.gz PDCAGQPBVFIUKX-INIZCTEOSA-N 2 0 329.513 3.221 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC001178171134 1386149194 /nfs/dbraw/zinc/14/91/94/1386149194.db2.gz PKEUBMFVEKJVTG-SFTDATJTSA-N 2 0 330.516 3.353 20 0 EGADRP C[C@H](F)CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178487676 1386233433 /nfs/dbraw/zinc/23/34/33/1386233433.db2.gz ZHCUYRUGVFPSIF-KRWDZBQOSA-N 2 0 343.531 3.265 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502295 1386236788 /nfs/dbraw/zinc/23/67/88/1386236788.db2.gz KGOHUMDDYKXHIW-DPZZJQGRSA-N 2 0 349.563 3.341 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693578 1386280513 /nfs/dbraw/zinc/28/05/13/1386280513.db2.gz WRTRTZSCBCOQDW-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CC1=CCCCC1)C1CC1 ZINC001178698448 1386281280 /nfs/dbraw/zinc/28/12/80/1386281280.db2.gz IEOLDXJMOFZANX-IBGZPJMESA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1CC1 ZINC001178698623 1386281692 /nfs/dbraw/zinc/28/16/92/1386281692.db2.gz OPZKALPPMBWHKA-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCC1 ZINC001178705366 1386284440 /nfs/dbraw/zinc/28/44/40/1386284440.db2.gz NRXYRABVPVADBN-QRVBRYPASA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319763225 1386284954 /nfs/dbraw/zinc/28/49/54/1386284954.db2.gz MMSJEBRYFFHGBD-JTSKRJEESA-N 2 0 335.495 3.462 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001178759340 1386296370 /nfs/dbraw/zinc/29/63/70/1386296370.db2.gz GXFQSQBNIWGOGV-KRWDZBQOSA-N 2 0 327.557 3.275 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178815711 1386316109 /nfs/dbraw/zinc/31/61/09/1386316109.db2.gz KREWGLILCACPBM-GFOMBABLSA-N 2 0 325.541 3.339 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001319828143 1386320956 /nfs/dbraw/zinc/32/09/56/1386320956.db2.gz UBOHRDHUUJCFQB-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178832696 1386320998 /nfs/dbraw/zinc/32/09/98/1386320998.db2.gz HTNSCTBGSGFJBK-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCC2CC2)CC1 ZINC001319880154 1386356309 /nfs/dbraw/zinc/35/63/09/1386356309.db2.gz IDYDECSPRGINQR-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179134703 1386407155 /nfs/dbraw/zinc/40/71/55/1386407155.db2.gz RMRJLKFDCGHSDJ-LJQANCHMSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CC2CC2)CCCCC1 ZINC001179134470 1386407264 /nfs/dbraw/zinc/40/72/64/1386407264.db2.gz NWYYZFRWDVAQKE-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2-n2nnc3ccccc32)C1 ZINC001179160027 1386413992 /nfs/dbraw/zinc/41/39/92/1386413992.db2.gz SLECQMSFEXBNLO-QGZVFWFLSA-N 2 0 349.482 3.242 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179238948 1386429172 /nfs/dbraw/zinc/42/91/72/1386429172.db2.gz IEXCSWHHHDWRLZ-ROUUACIJSA-N 2 0 337.552 3.410 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001320016345 1386453856 /nfs/dbraw/zinc/45/38/56/1386453856.db2.gz OPAAOJPSINRQMU-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001179358113 1386462270 /nfs/dbraw/zinc/46/22/70/1386462270.db2.gz VYKQLUVISDLXCH-GOSISDBHSA-N 2 0 325.541 3.175 20 0 EGADRP CCc1ccccc1C[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001320042012 1386470358 /nfs/dbraw/zinc/47/03/58/1386470358.db2.gz KBXROPCIGDJVLT-UHFFFAOYSA-N 2 0 347.547 3.117 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)c1ccc(F)cc1 ZINC001179439406 1386483924 /nfs/dbraw/zinc/48/39/24/1386483924.db2.gz NUATZXIAZWITOS-SNRMKQJTSA-N 2 0 349.494 3.198 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001179464207 1386488634 /nfs/dbraw/zinc/48/86/34/1386488634.db2.gz OYLNFZOFZXBWHJ-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C)[NH+](CC)CC ZINC001179521494 1386504941 /nfs/dbraw/zinc/50/49/41/1386504941.db2.gz OTWYPZPDXKBUCJ-WDSOQIARSA-N 2 0 335.536 3.186 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580619 1386521269 /nfs/dbraw/zinc/52/12/69/1386521269.db2.gz KESPRBIFVUVZCW-ZMBJWTFHSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001179580984 1386522138 /nfs/dbraw/zinc/52/21/38/1386522138.db2.gz YWLAYAKMVMDHQC-QGZVFWFLSA-N 2 0 349.494 3.076 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179585456 1386523133 /nfs/dbraw/zinc/52/31/33/1386523133.db2.gz IFTAMWUGUFTUIY-MSOLQXFVSA-N 2 0 339.568 3.277 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179591222 1386526093 /nfs/dbraw/zinc/52/60/93/1386526093.db2.gz PZHBIVSNSYYDAC-IEBWSBKVSA-N 2 0 337.552 3.031 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001179777186 1386581750 /nfs/dbraw/zinc/58/17/50/1386581750.db2.gz PSUOCNAFSMKLIO-LAQIPUCWSA-N 2 0 334.508 3.211 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788152 1386585687 /nfs/dbraw/zinc/58/56/87/1386585687.db2.gz OLRQNURTHDTPOQ-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC001179840826 1386603384 /nfs/dbraw/zinc/60/33/84/1386603384.db2.gz LBSWKEYPVVNWNM-LPHOPBHVSA-N 2 0 340.471 3.255 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001320474851 1386620668 /nfs/dbraw/zinc/62/06/68/1386620668.db2.gz BKQLUNMWFPHISI-QZTJIDSGSA-N 2 0 343.515 3.169 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)[C@@H]1C ZINC001179907686 1386624645 /nfs/dbraw/zinc/62/46/45/1386624645.db2.gz BNSWGLANVLAPPA-RRUDCUFVSA-N 2 0 343.943 3.220 20 0 EGADRP CCc1ccccc1C[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179991949 1386661480 /nfs/dbraw/zinc/66/14/80/1386661480.db2.gz FOMZJNYOCRTJIH-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180204660 1386731687 /nfs/dbraw/zinc/73/16/87/1386731687.db2.gz YBVJIFCPSNCFMO-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@H]1CCC[N@H+](CC)C1)CCC2 ZINC001320861716 1386740826 /nfs/dbraw/zinc/74/08/26/1386740826.db2.gz FDLSKJCCRQECFL-CVEARBPZSA-N 2 0 348.487 3.464 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCCCCC[NH2+]CCC1CC1 ZINC001180446090 1386799245 /nfs/dbraw/zinc/79/92/45/1386799245.db2.gz QGVKNWBWBOXDPX-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196835 1386838266 /nfs/dbraw/zinc/83/82/66/1386838266.db2.gz UDTVXEBSGNAUTM-SFHVURJKSA-N 2 0 326.488 3.251 20 0 EGADRP CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181468239 1386999218 /nfs/dbraw/zinc/99/92/18/1386999218.db2.gz TUDZOIKEQBHONI-DBXWQHBBSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001181729214 1387046988 /nfs/dbraw/zinc/04/69/88/1387046988.db2.gz YQPQWIGFICDVTA-SLYNCCJLSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001181793565 1387056246 /nfs/dbraw/zinc/05/62/46/1387056246.db2.gz WMGBWJLKGHOBJA-WSTZPKSXSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccccc1 ZINC001181866462 1387066220 /nfs/dbraw/zinc/06/62/20/1387066220.db2.gz XJWWTRYBHQTKCN-UHFFFAOYSA-N 2 0 333.520 3.089 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181942046 1387080191 /nfs/dbraw/zinc/08/01/91/1387080191.db2.gz WWIUDEBFJFUJDV-YLJYHZDGSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@]1(C)C[NH2+]CCC(C)(C)C ZINC001182007515 1387093482 /nfs/dbraw/zinc/09/34/82/1387093482.db2.gz RRPGVHDNIJZLEP-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001322245642 1387119416 /nfs/dbraw/zinc/11/94/16/1387119416.db2.gz YYVRNCHFNBYKBV-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322261662 1387127277 /nfs/dbraw/zinc/12/72/77/1387127277.db2.gz JNCXYWUFSUIUPC-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001182346725 1387153881 /nfs/dbraw/zinc/15/38/81/1387153881.db2.gz UVKLRDVUGOABHJ-SLYNCCJLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182410628 1387162519 /nfs/dbraw/zinc/16/25/19/1387162519.db2.gz NEBTVJSXXMAWMY-NLWGTHIKSA-N 2 0 339.568 3.085 20 0 EGADRP Cc1ccccc1C(C)(C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001182463911 1387170302 /nfs/dbraw/zinc/17/03/02/1387170302.db2.gz OWICKBXFVITFOI-UHFFFAOYSA-N 2 0 347.547 3.005 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001322393449 1387178103 /nfs/dbraw/zinc/17/81/03/1387178103.db2.gz XJLZVXGRQINJLJ-AKHDSKFASA-N 2 0 335.536 3.115 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC001322643590 1387218203 /nfs/dbraw/zinc/21/82/03/1387218203.db2.gz RPGDVDIPAKTIDM-OAQYLSRUSA-N 2 0 335.495 3.086 20 0 EGADRP C[C@@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1)n1ccnc1 ZINC001182767451 1387221104 /nfs/dbraw/zinc/22/11/04/1387221104.db2.gz FWPUZEWPRUPIRA-FUHIMQAGSA-N 2 0 346.519 3.099 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)C[C@@H]2C1 ZINC001336888620 1389196993 /nfs/dbraw/zinc/19/69/93/1389196993.db2.gz KNFDDVOJLUAUOX-OFQRWUPVSA-N 2 0 330.501 3.300 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC001329937275 1389266022 /nfs/dbraw/zinc/26/60/22/1389266022.db2.gz NQIHBNZGONGNMU-WOJBJXKFSA-N 2 0 345.531 3.134 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1)[NH+](C)C ZINC001329938981 1389267818 /nfs/dbraw/zinc/26/78/18/1389267818.db2.gz SHYWDSLUIUYVJB-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001698724403 1406373161 /nfs/dbraw/zinc/37/31/61/1406373161.db2.gz JUFPZNGORYVEBC-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP O=C(CC[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc(Cl)c1 ZINC001338522120 1389700865 /nfs/dbraw/zinc/70/08/65/1389700865.db2.gz TYMAJBXWAAYKMH-MRXNPFEDSA-N 2 0 349.906 3.380 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(C)c1)C(C)C ZINC001338887508 1389804858 /nfs/dbraw/zinc/80/48/58/1389804858.db2.gz KMHSMLPDYISLME-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001332184740 1390028445 /nfs/dbraw/zinc/02/84/45/1390028445.db2.gz KQNMOPUTMNINNK-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])CC(C)C ZINC001340105609 1390226971 /nfs/dbraw/zinc/22/69/71/1390226971.db2.gz ONEPGCVTLOWRDV-UXHICEINSA-N 2 0 345.531 3.121 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698769302 1406427623 /nfs/dbraw/zinc/42/76/23/1406427623.db2.gz YKRWKUHNOZWYCD-INIZCTEOSA-N 2 0 347.547 3.123 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC001340515465 1390303791 /nfs/dbraw/zinc/30/37/91/1390303791.db2.gz OEBNVCVFJFZJLI-HUUCEWRRSA-N 2 0 329.488 3.299 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1cccs1 ZINC001333465678 1390311115 /nfs/dbraw/zinc/31/11/15/1390311115.db2.gz MDFAZHCUQPNCEP-INIZCTEOSA-N 2 0 329.513 3.346 20 0 EGADRP CC1([NH+]2CCC2)CCC(NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001341096870 1390440049 /nfs/dbraw/zinc/44/00/49/1390440049.db2.gz SJMHFBRWKISNEA-FDYSRKEFSA-N 2 0 347.547 3.070 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001334309363 1390514737 /nfs/dbraw/zinc/51/47/37/1390514737.db2.gz SNFWIQPPFPBRGT-XUVXKRRUSA-N 2 0 343.515 3.098 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]CCC[NH+]2CCCC2)C1 ZINC001334984177 1390628656 /nfs/dbraw/zinc/62/86/56/1390628656.db2.gz KLLQTUAVVYSAGL-LJQANCHMSA-N 2 0 339.524 3.099 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]CCC[NH+]2CCCC2)C1 ZINC001334984176 1390628793 /nfs/dbraw/zinc/62/87/93/1390628793.db2.gz KLLQTUAVVYSAGL-IBGZPJMESA-N 2 0 339.524 3.099 20 0 EGADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001343334536 1390707901 /nfs/dbraw/zinc/70/79/01/1390707901.db2.gz UBHRUJBYBVDNGX-JQHSSLGASA-N 2 0 332.488 3.174 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001344430662 1390791025 /nfs/dbraw/zinc/79/10/25/1390791025.db2.gz YNCBAMOBYWFHBW-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001345041620 1390832753 /nfs/dbraw/zinc/83/27/53/1390832753.db2.gz BDDYMLFDELLZJY-VQTJNVASSA-N 2 0 343.515 3.275 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC001350925725 1391560339 /nfs/dbraw/zinc/56/03/39/1391560339.db2.gz DCHGCDUEJNMPET-NSBMPJFYSA-N 2 0 339.527 3.113 20 0 EGADRP CC(C)CC[C@@H](O)C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC001353275304 1391981560 /nfs/dbraw/zinc/98/15/60/1391981560.db2.gz YDOJYAVUQDQTFT-IEBWSBKVSA-N 2 0 346.515 3.361 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479835314 1392421182 /nfs/dbraw/zinc/42/11/82/1392421182.db2.gz VQLWBUQJBJMLRZ-XLIONFOSSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001479891858 1392462061 /nfs/dbraw/zinc/46/20/61/1392462061.db2.gz FOCPFWBPSDKDFE-FAFZWHIHSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001479905023 1392472257 /nfs/dbraw/zinc/47/22/57/1392472257.db2.gz MTUMOVMYXRDDRF-PKOBYXMFSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC/C=C\c2ccccc2)C1 ZINC001479913930 1392481772 /nfs/dbraw/zinc/48/17/72/1392481772.db2.gz YQVFMOCEPWXSCY-SUJSUNJESA-N 2 0 343.515 3.012 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479957398 1392494158 /nfs/dbraw/zinc/49/41/58/1392494158.db2.gz XNQIYDFIMWBAGW-LXXRFIIISA-N 2 0 335.536 3.186 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC1CC1)CC(C)(C)C ZINC001480373857 1392716688 /nfs/dbraw/zinc/71/66/88/1392716688.db2.gz SXBMFZKYYNUVNK-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001480740235 1392906244 /nfs/dbraw/zinc/90/62/44/1392906244.db2.gz XARGVAAVNJNCPU-AZUAARDMSA-N 2 0 345.531 3.321 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([N@H+](C)C/C=C\Cl)C2)c1 ZINC001480742452 1392908738 /nfs/dbraw/zinc/90/87/38/1392908738.db2.gz LKTYQEJWPHPUKW-TWVNLXSWSA-N 2 0 349.906 3.037 20 0 EGADRP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCCCC1 ZINC001480776175 1392926668 /nfs/dbraw/zinc/92/66/68/1392926668.db2.gz NIRJRPYBGFFUAP-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001480791830 1392936417 /nfs/dbraw/zinc/93/64/17/1392936417.db2.gz DCFGHSKKAMXLKK-UZLBHIALSA-N 2 0 341.499 3.164 20 0 EGADRP CCc1cccc(C[N@H+](CC)CCNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001480974768 1393059866 /nfs/dbraw/zinc/05/98/66/1393059866.db2.gz VUXAMYYWBTUTJQ-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1)[NH+](C)C ZINC001481059620 1393109587 /nfs/dbraw/zinc/10/95/87/1393109587.db2.gz UERMZPKRLFELCE-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001481231508 1393151751 /nfs/dbraw/zinc/15/17/51/1393151751.db2.gz DHKMHTAPVQLKFH-MBOZVWFJSA-N 2 0 345.531 3.259 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)c1ccc(F)cc1 ZINC001481319732 1393163157 /nfs/dbraw/zinc/16/31/57/1393163157.db2.gz LXMZJISJUAWDFQ-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001481404076 1394257188 /nfs/dbraw/zinc/25/71/88/1394257188.db2.gz VJNMMWMVRKRXGA-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481695450 1394455806 /nfs/dbraw/zinc/45/58/06/1394455806.db2.gz KAUUHSSECMTORE-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)C2)CCCCC1 ZINC001481704920 1394463912 /nfs/dbraw/zinc/46/39/12/1394463912.db2.gz QRGOAGMKTRDMQB-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001481710050 1394469086 /nfs/dbraw/zinc/46/90/86/1394469086.db2.gz SAGNKWDWGFTPFM-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCc1cccc(C[NH+]2CCCC[C@@H]2CNC(=O)CC[N@@H+](C)CC)c1 ZINC001491228531 1394483695 /nfs/dbraw/zinc/48/36/95/1394483695.db2.gz BEWRBKWPBJMXFZ-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001481840291 1394553609 /nfs/dbraw/zinc/55/36/09/1394553609.db2.gz DYEOOUPOEMHTEN-QUCCMNQESA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2c(C)cccc2C)CCCC1 ZINC001482237528 1394833752 /nfs/dbraw/zinc/83/37/52/1394833752.db2.gz ZTSJKSXDQNMRPN-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001482470806 1395026019 /nfs/dbraw/zinc/02/60/19/1395026019.db2.gz SUKSSJRIMVDDNJ-GJZGRUSLSA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)C[N@H+](C)CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001482508902 1395062790 /nfs/dbraw/zinc/06/27/90/1395062790.db2.gz LIGOOWFJLSMJPH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC001483950408 1395158685 /nfs/dbraw/zinc/15/86/85/1395158685.db2.gz MUAHSSIDVVLYGV-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001484059275 1395221367 /nfs/dbraw/zinc/22/13/67/1395221367.db2.gz QMKQHCGHWQKDLB-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001484324101 1395341350 /nfs/dbraw/zinc/34/13/50/1395341350.db2.gz OKGAQYISQUZZBD-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001484770585 1395530010 /nfs/dbraw/zinc/53/00/10/1395530010.db2.gz GZZAUYGEOMZYKP-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[C@H](C[NH2+]Cc1ccc(C)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485465706 1395940814 /nfs/dbraw/zinc/94/08/14/1395940814.db2.gz MIPINEFQRGLVQM-UXHICEINSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001485778381 1396148745 /nfs/dbraw/zinc/14/87/45/1396148745.db2.gz DZEIPRMTFKIPHD-PMACEKPBSA-N 2 0 345.531 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001505410632 1396294770 /nfs/dbraw/zinc/29/47/70/1396294770.db2.gz JIILQJAABIXBTA-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001493006336 1396331522 /nfs/dbraw/zinc/33/15/22/1396331522.db2.gz GVBFEYIENCVXGA-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001493696631 1396342203 /nfs/dbraw/zinc/34/22/03/1396342203.db2.gz YEGYTSCKMKGKQI-QGZVFWFLSA-N 2 0 333.520 3.082 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(C(C)C)cc1 ZINC001493878334 1396344122 /nfs/dbraw/zinc/34/41/22/1396344122.db2.gz LRGNLMFTWAXNHI-IBGZPJMESA-N 2 0 345.531 3.307 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001699033468 1406872086 /nfs/dbraw/zinc/87/20/86/1406872086.db2.gz AOBMMNADQXCCPE-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001689903670 1404197904 /nfs/dbraw/zinc/19/79/04/1404197904.db2.gz YNEGBUFTBQHODJ-DNVCBOLYSA-N 2 0 342.487 3.272 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001690289368 1404450696 /nfs/dbraw/zinc/45/06/96/1404450696.db2.gz DEOVAJAVFNMJEL-WGSAOQKQSA-N 2 0 345.531 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001690391622 1404531099 /nfs/dbraw/zinc/53/10/99/1404531099.db2.gz FGSLTQDPSVTMPP-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001690752158 1404709108 /nfs/dbraw/zinc/70/91/08/1404709108.db2.gz ZNIOQCCLHCIMIA-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690783210 1404730868 /nfs/dbraw/zinc/73/08/68/1404730868.db2.gz BIRYVPOEWWAHFR-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814862 1404749841 /nfs/dbraw/zinc/74/98/41/1404749841.db2.gz MSLDTXAAKJZESP-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](CCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001725402523 1426047087 /nfs/dbraw/zinc/04/70/87/1426047087.db2.gz UFUILNMMLVFCLQ-PASZSSHJSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1 ZINC001690982141 1404895804 /nfs/dbraw/zinc/89/58/04/1404895804.db2.gz QLAFIKLURRTFMF-MJGOQNOKSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1CCC(C)(C)CC1 ZINC001691038473 1404948375 /nfs/dbraw/zinc/94/83/75/1404948375.db2.gz IOUDEBLRTLKGSA-GOSISDBHSA-N 2 0 339.568 3.227 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCC[NH+](C)C ZINC001691055411 1404974996 /nfs/dbraw/zinc/97/49/96/1404974996.db2.gz MMCIUUPBOMBFHQ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C)c(C)c1 ZINC001691184077 1405122422 /nfs/dbraw/zinc/12/24/22/1405122422.db2.gz YYLVKTHHIJJAMO-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1ccc(F)cc1 ZINC001691189192 1405127594 /nfs/dbraw/zinc/12/75/94/1405127594.db2.gz RTCNMKYBZFYWAR-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC001691558310 1405337822 /nfs/dbraw/zinc/33/78/22/1405337822.db2.gz HMFTXJYQIQGSMI-SJORKVTESA-N 2 0 339.911 3.179 20 0 EGADRP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001732084864 1428343768 /nfs/dbraw/zinc/34/37/68/1428343768.db2.gz YLGRYCZYOTUEKX-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001732214351 1428462148 /nfs/dbraw/zinc/46/21/48/1428462148.db2.gz VGRDGNNOBBTIEM-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001732313202 1428525321 /nfs/dbraw/zinc/52/53/21/1428525321.db2.gz RNQVYPHGTJGMMP-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732442299 1428582755 /nfs/dbraw/zinc/58/27/55/1428582755.db2.gz GHDKUAJPUZTJQX-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001732525984 1428645159 /nfs/dbraw/zinc/64/51/59/1428645159.db2.gz ROZBUIIBHRKJQY-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001699417287 1412731537 /nfs/dbraw/zinc/73/15/37/1412731537.db2.gz FWSWREAIDNXVFD-GRDNDAEWSA-N 2 0 339.911 3.082 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699429303 1412745871 /nfs/dbraw/zinc/74/58/71/1412745871.db2.gz VUQCOLUMQCIHIC-ROUUACIJSA-N 2 0 345.531 3.271 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001699460907 1412813760 /nfs/dbraw/zinc/81/37/60/1412813760.db2.gz GIMJOHWOFXJFHH-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473874 1412861361 /nfs/dbraw/zinc/86/13/61/1412861361.db2.gz DRKBSRHPUHJNRV-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001699489651 1412886998 /nfs/dbraw/zinc/88/69/98/1412886998.db2.gz ZZLYGEGFAQUFRL-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001699655281 1413038097 /nfs/dbraw/zinc/03/80/97/1413038097.db2.gz WONXJKKKFJBZIP-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001699694414 1413102852 /nfs/dbraw/zinc/10/28/52/1413102852.db2.gz DQPZXLMCZBPVGW-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@]1(C[NH2+]CC2CCCCC2)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001699859815 1413293048 /nfs/dbraw/zinc/29/30/48/1413293048.db2.gz UGEBZCQWMMETMM-NRFANRHFSA-N 2 0 349.563 3.271 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)c1cccc(F)c1 ZINC001700345529 1413831776 /nfs/dbraw/zinc/83/17/76/1413831776.db2.gz UPGFSTBWUVAKDF-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001732577406 1428779878 /nfs/dbraw/zinc/77/98/78/1428779878.db2.gz YYNLQDPCPGRAGT-XLIONFOSSA-N 2 0 345.531 3.355 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001700756176 1414427556 /nfs/dbraw/zinc/42/75/56/1414427556.db2.gz BTNYDFBIWKQCJC-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(F)c2)[C@H]1C ZINC001700887654 1414546991 /nfs/dbraw/zinc/54/69/91/1414546991.db2.gz JZHFUWJBKBXHPH-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C)[NH+](C)C ZINC001700998963 1414649654 /nfs/dbraw/zinc/64/96/54/1414649654.db2.gz YPVIKPOXZQZWBY-RBUKOAKNSA-N 2 0 347.547 3.264 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001732597423 1428836755 /nfs/dbraw/zinc/83/67/55/1428836755.db2.gz LGBGPEYBHXSXHW-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001732968185 1429092864 /nfs/dbraw/zinc/09/28/64/1429092864.db2.gz PXRQTFPDBPDZFE-GPMSIDNRSA-N 2 0 345.531 3.234 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001733013300 1429132750 /nfs/dbraw/zinc/13/27/50/1429132750.db2.gz BBXIPISPAIUWSG-LPHOPBHVSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001707148551 1417222918 /nfs/dbraw/zinc/22/29/18/1417222918.db2.gz ZRTBMAAGZXJVBH-XLIONFOSSA-N 2 0 345.531 3.377 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001707447357 1417351094 /nfs/dbraw/zinc/35/10/94/1417351094.db2.gz QSVPJBZKRCSYGD-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713134729 1417713481 /nfs/dbraw/zinc/71/34/81/1417713481.db2.gz SVCAHDGWVHXBQF-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058283 1429203726 /nfs/dbraw/zinc/20/37/26/1429203726.db2.gz ITEYSDMNLUTYIS-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001713277524 1417899670 /nfs/dbraw/zinc/89/96/70/1417899670.db2.gz JOFKEFAWZKIOGB-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001713339486 1417963097 /nfs/dbraw/zinc/96/30/97/1417963097.db2.gz JXBMEDARSHAREZ-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC1CCCCCC1 ZINC001713459694 1418114690 /nfs/dbraw/zinc/11/46/90/1418114690.db2.gz KXTNFNDXQOKYQS-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](CC)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001713496255 1418204912 /nfs/dbraw/zinc/20/49/12/1418204912.db2.gz OGRHNVDSDCXWJW-PBHICJAKSA-N 2 0 339.911 3.179 20 0 EGADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccccc21)[NH+](CC)CC ZINC001713633339 1418402558 /nfs/dbraw/zinc/40/25/58/1418402558.db2.gz JDYVNIASYKDSJY-UXHICEINSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001713700140 1418456835 /nfs/dbraw/zinc/45/68/35/1418456835.db2.gz DZSBYXNMOLMJDG-LJQANCHMSA-N 2 0 345.531 3.354 20 0 EGADRP CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001713719524 1418489873 /nfs/dbraw/zinc/48/98/73/1418489873.db2.gz BYUDGTRNJKHBEU-FQEVSTJZSA-N 2 0 345.531 3.126 20 0 EGADRP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713753777 1418556186 /nfs/dbraw/zinc/55/61/86/1418556186.db2.gz SSPLFBIGBJGMIP-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001713853771 1418650423 /nfs/dbraw/zinc/65/04/23/1418650423.db2.gz SICRDPXSPPNAIC-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001714048444 1418845424 /nfs/dbraw/zinc/84/54/24/1418845424.db2.gz BNJANSORAJARAT-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](CC)c1ccccc1 ZINC001714140114 1418942599 /nfs/dbraw/zinc/94/25/99/1418942599.db2.gz XFANZKJSOWAZST-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H](CC)C1 ZINC001733203844 1429309232 /nfs/dbraw/zinc/30/92/32/1429309232.db2.gz YNALQMUHIWAACO-PMACEKPBSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001714433856 1419166460 /nfs/dbraw/zinc/16/64/60/1419166460.db2.gz HSONPCQYNPYLLK-RBUKOAKNSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001714513266 1419240423 /nfs/dbraw/zinc/24/04/23/1419240423.db2.gz AQKLMQBWKIZOMN-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH2+]C/C=C/Cl)CCCC2)c1 ZINC001714513458 1419240648 /nfs/dbraw/zinc/24/06/48/1419240648.db2.gz FURKQELVEWNSNY-IZZDOVSWSA-N 2 0 349.906 3.133 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1)[NH+](C)C ZINC001714521584 1419247781 /nfs/dbraw/zinc/24/77/81/1419247781.db2.gz YGMIYTWHJLQMTB-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[N@H+](C)CC)CC2 ZINC001714522820 1419248965 /nfs/dbraw/zinc/24/89/65/1419248965.db2.gz CNPSJTRNTRCCRF-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714564873 1419292883 /nfs/dbraw/zinc/29/28/83/1419292883.db2.gz MZEAWQARHVOCOM-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714564872 1419293154 /nfs/dbraw/zinc/29/31/54/1419293154.db2.gz MZEAWQARHVOCOM-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CC1CCCCC1 ZINC001714594929 1419345516 /nfs/dbraw/zinc/34/55/16/1419345516.db2.gz LQZTYRLOADCPRQ-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714616363 1419379047 /nfs/dbraw/zinc/37/90/47/1419379047.db2.gz HRTNPQPXANGNTM-ICSRJNTNSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001714921762 1419673850 /nfs/dbraw/zinc/67/38/50/1419673850.db2.gz YDTURIFDNIZWSI-KRWDZBQOSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001715063271 1419801628 /nfs/dbraw/zinc/80/16/28/1419801628.db2.gz ACAXPURQPJZXFR-RBUKOAKNSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(CC[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001715176162 1419911778 /nfs/dbraw/zinc/91/17/78/1419911778.db2.gz MQDSCDZIKUAWTQ-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CC1CCCCC1 ZINC001715233110 1419964989 /nfs/dbraw/zinc/96/49/89/1419964989.db2.gz HXSNCMVRDWSELA-XLIONFOSSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715233940 1419965226 /nfs/dbraw/zinc/96/52/26/1419965226.db2.gz NHRYRFPOTYHIHR-MRXNPFEDSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001715377138 1420073332 /nfs/dbraw/zinc/07/33/32/1420073332.db2.gz MITHTKZTBFGDKF-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001715377140 1420073462 /nfs/dbraw/zinc/07/34/62/1420073462.db2.gz MITHTKZTBFGDKF-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001715403868 1420102731 /nfs/dbraw/zinc/10/27/31/1420102731.db2.gz KVWUGJBZIYFKAX-IBGZPJMESA-N 2 0 337.552 3.170 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001715502562 1420185472 /nfs/dbraw/zinc/18/54/72/1420185472.db2.gz QDLFPMNOADVVPC-IBGZPJMESA-N 2 0 347.547 3.203 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001715568073 1420257267 /nfs/dbraw/zinc/25/72/67/1420257267.db2.gz UXYTZDOCZUGSRN-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001716643205 1420799265 /nfs/dbraw/zinc/79/92/65/1420799265.db2.gz YEFNJKAWSVYPTM-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)cs1 ZINC001716695231 1420847791 /nfs/dbraw/zinc/84/77/91/1420847791.db2.gz BBOWDQBHGNTPJX-MRXNPFEDSA-N 2 0 349.544 3.059 20 0 EGADRP CC1(CNC(=O)CCC[NH+]2CCCCC2)CC[NH+](CCC2CC2)CC1 ZINC001716889267 1421013268 /nfs/dbraw/zinc/01/32/68/1421013268.db2.gz CTOBZXXBCVNOTQ-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001717010824 1421076729 /nfs/dbraw/zinc/07/67/29/1421076729.db2.gz QXOVTTHITDJTOY-CEXWTWQISA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001717013325 1421078661 /nfs/dbraw/zinc/07/86/61/1421078661.db2.gz DMAKSWLZTLVOLW-BGYRXZFFSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001717341866 1421279265 /nfs/dbraw/zinc/27/92/65/1421279265.db2.gz GDDHNXLGGQVZBJ-JENIJYKNSA-N 2 0 333.520 3.127 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001717342277 1421279638 /nfs/dbraw/zinc/27/96/38/1421279638.db2.gz ZDMWSZOXXMVTEC-ZQIUZPCESA-N 2 0 339.911 3.226 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001717485316 1421421432 /nfs/dbraw/zinc/42/14/32/1421421432.db2.gz JVRCIPDDRDZSGZ-SJORKVTESA-N 2 0 345.531 3.015 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001717561945 1421497548 /nfs/dbraw/zinc/49/75/48/1421497548.db2.gz VWGKTEFYKHVUBD-KRWDZBQOSA-N 2 0 345.531 3.088 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(CC)c2)C[C@H]1C ZINC001717826688 1421641023 /nfs/dbraw/zinc/64/10/23/1421641023.db2.gz DOECLAGMIWHMSP-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2)[C@@H]1C ZINC001717860910 1421673734 /nfs/dbraw/zinc/67/37/34/1421673734.db2.gz RFSRLIABEGBGGL-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001733377991 1429561230 /nfs/dbraw/zinc/56/12/30/1429561230.db2.gz AHPFYPUBKJFUNU-INIZCTEOSA-N 2 0 337.533 3.096 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC/C=C\c2ccccc2)C1 ZINC001733412708 1429614804 /nfs/dbraw/zinc/61/48/04/1429614804.db2.gz ONYVTAHKYPKJAE-PRUHCIRGSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001722916644 1424254304 /nfs/dbraw/zinc/25/43/04/1424254304.db2.gz NQSXURFVAMTZBW-IBGZPJMESA-N 2 0 345.531 3.198 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001723633836 1424500789 /nfs/dbraw/zinc/50/07/89/1424500789.db2.gz RTHOJTWPJQXYBY-MOPGFXCFSA-N 2 0 335.536 3.115 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724172520 1424706340 /nfs/dbraw/zinc/70/63/40/1424706340.db2.gz BPYBLDQPONKZJM-QUCCMNQESA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724191403 1424724454 /nfs/dbraw/zinc/72/44/54/1424724454.db2.gz VYRHWIWBEFHNQE-HXUWFJFHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001724285675 1424774793 /nfs/dbraw/zinc/77/47/93/1424774793.db2.gz PIRPSJHAJGLZBS-UHFFFAOYSA-N 2 0 337.533 3.050 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001724301855 1424785765 /nfs/dbraw/zinc/78/57/65/1424785765.db2.gz HRUTXTDKKMIMGJ-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001724943560 1425328912 /nfs/dbraw/zinc/32/89/12/1425328912.db2.gz FZJBRCWIADDYKF-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001725000903 1425409448 /nfs/dbraw/zinc/40/94/48/1425409448.db2.gz UZIUEFJBZSAECX-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001725141245 1425620222 /nfs/dbraw/zinc/62/02/22/1425620222.db2.gz DAACGZASPYWDQA-KRWDZBQOSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CCCC(C)(C)C ZINC001725193684 1425742948 /nfs/dbraw/zinc/74/29/48/1425742948.db2.gz HCHZKMJZMYJSIO-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[NH2+][C@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001725212898 1425775163 /nfs/dbraw/zinc/77/51/63/1425775163.db2.gz NNSCWXQAMWHJGO-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC001725217432 1425784052 /nfs/dbraw/zinc/78/40/52/1425784052.db2.gz KVJIDAHTAOMTFZ-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001725582107 1426237673 /nfs/dbraw/zinc/23/76/73/1426237673.db2.gz CLODJJJHBYOCSS-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001725607545 1426265037 /nfs/dbraw/zinc/26/50/37/1426265037.db2.gz PLRFPUHIPDWWQL-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1C/C=C\c1ccccc1 ZINC001725630414 1426298087 /nfs/dbraw/zinc/29/80/87/1426298087.db2.gz QZGOLVLCVRTKGN-MMKKUBAISA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001725789503 1426475924 /nfs/dbraw/zinc/47/59/24/1426475924.db2.gz KKVCDDLFVHIDED-LMDPOFIKSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001731467106 1427445274 /nfs/dbraw/zinc/44/52/74/1427445274.db2.gz ZUHWUZVRUFARIX-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](C/C=C\c2ccccc2)CC1 ZINC001733770576 1430001426 /nfs/dbraw/zinc/00/14/26/1430001426.db2.gz UDYMMYKUHBCQOZ-RVPHRTOXSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](CC)c1ccccc1 ZINC001733938714 1437754212 /nfs/dbraw/zinc/75/42/12/1437754212.db2.gz RLULYEMAJQTIJE-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001733944882 1437760274 /nfs/dbraw/zinc/76/02/74/1437760274.db2.gz XNCXILLNMIIADQ-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)[NH2+][C@H](CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001734080837 1437868081 /nfs/dbraw/zinc/86/80/81/1437868081.db2.gz DAYKNVGSOGTOSQ-LJQANCHMSA-N 2 0 333.520 3.233 20 0 EGADRP C[C@@H](CN(C)C(=O)c1sccc1C[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001734327367 1438052334 /nfs/dbraw/zinc/05/23/34/1438052334.db2.gz WTCQAUZCKPMJGW-HNNXBMFYSA-N 2 0 345.512 3.060 20 0 EGADRP CCc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C(C)C)cc1 ZINC001751974274 1440130033 /nfs/dbraw/zinc/13/00/33/1440130033.db2.gz DLDIPDFZDAZSTI-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCCC1CCCC1 ZINC001751997497 1440131818 /nfs/dbraw/zinc/13/18/18/1440131818.db2.gz JNKDEZSBWIXNOE-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752121972 1440142616 /nfs/dbraw/zinc/14/26/16/1440142616.db2.gz PGEQQPUWLZHQFI-QGZVFWFLSA-N 2 0 349.494 3.201 20 0 EGADRP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001752435358 1440180151 /nfs/dbraw/zinc/18/01/51/1440180151.db2.gz QBFHSVGLCRYPBO-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCCC1)C1CC1 ZINC001752470691 1440184440 /nfs/dbraw/zinc/18/44/40/1440184440.db2.gz IAIDDHGJNUIGGO-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)CCCCC1 ZINC001752473023 1440184825 /nfs/dbraw/zinc/18/48/25/1440184825.db2.gz NTGBKFFTZHPVIA-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752654856 1440198280 /nfs/dbraw/zinc/19/82/80/1440198280.db2.gz DYDJXLUMLRSFOF-YWTNHNAXSA-N 2 0 335.536 3.066 20 0 EGADRP C[NH+](C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC(C)(C)C2)CCC1 ZINC001752695871 1440200916 /nfs/dbraw/zinc/20/09/16/1440200916.db2.gz HQYLDEVKSPTZKD-AYHJJNSGSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)[NH+](CC)CC ZINC001752698418 1440201453 /nfs/dbraw/zinc/20/14/53/1440201453.db2.gz LUEQNXDFELTSFI-NXEWRWPSSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001752790123 1440213540 /nfs/dbraw/zinc/21/35/40/1440213540.db2.gz SFKOORVXXFJJHK-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752804848 1440215544 /nfs/dbraw/zinc/21/55/44/1440215544.db2.gz UAQICZWVGNKOCM-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001752805657 1440215846 /nfs/dbraw/zinc/21/58/46/1440215846.db2.gz VEDWLKTZRVLVBL-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752835396 1440227420 /nfs/dbraw/zinc/22/74/20/1440227420.db2.gz FNPZKDXJDBHHNE-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752836915 1440228138 /nfs/dbraw/zinc/22/81/38/1440228138.db2.gz PYXOMBOHDCLGLK-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752841457 1440230672 /nfs/dbraw/zinc/23/06/72/1440230672.db2.gz QUMARCUQSRWMMR-ROUUACIJSA-N 2 0 339.568 3.371 20 0 EGADRP CC/C=C\CC[NH2+]C1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001752853448 1440234294 /nfs/dbraw/zinc/23/42/94/1440234294.db2.gz KLGNCMONFSELLK-PLNGDYQASA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001752902991 1440243385 /nfs/dbraw/zinc/24/33/85/1440243385.db2.gz JDXGERAQEZSREC-IAGOWNOFSA-N 2 0 349.494 3.015 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001752920022 1440248228 /nfs/dbraw/zinc/24/82/28/1440248228.db2.gz PVJXGCRSYFPAJW-ROUUACIJSA-N 2 0 331.504 3.108 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001752972161 1440255306 /nfs/dbraw/zinc/25/53/06/1440255306.db2.gz UZYWGCCBVRECLS-ROUUACIJSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752974794 1440255849 /nfs/dbraw/zinc/25/58/49/1440255849.db2.gz XHKBFHHQFPRYHA-ZWKOTPCHSA-N 2 0 349.563 3.458 20 0 EGADRP CC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001752991987 1440259645 /nfs/dbraw/zinc/25/96/45/1440259645.db2.gz BXLJTNUDULHTHB-LXORQPIJSA-N 2 0 335.536 3.140 20 0 EGADRP CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001752996360 1440261961 /nfs/dbraw/zinc/26/19/61/1440261961.db2.gz LMWLFZRRIKYCAU-FQEVSTJZSA-N 2 0 345.531 3.127 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996594 1440262316 /nfs/dbraw/zinc/26/23/16/1440262316.db2.gz GWEZHDPGOVLUSA-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001753000622 1440264320 /nfs/dbraw/zinc/26/43/20/1440264320.db2.gz SULJRXTYEVFNNR-HKUYNNGSSA-N 2 0 331.504 3.011 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001753008976 1440266376 /nfs/dbraw/zinc/26/63/76/1440266376.db2.gz XAFNFHARJJBJNG-QUCCMNQESA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCCCCC1 ZINC001753013002 1440267576 /nfs/dbraw/zinc/26/75/76/1440267576.db2.gz UQEIAVRLXBOOER-AOIWGVFYSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001753033123 1440273698 /nfs/dbraw/zinc/27/36/98/1440273698.db2.gz FISMVQUJZAOFHC-PXPVJAHISA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)[C@@H](C)c1ccc(F)cc1 ZINC001753095037 1440301789 /nfs/dbraw/zinc/30/17/89/1440301789.db2.gz NCBRJRAMQHSRAO-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH+]2CCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001753118417 1440312622 /nfs/dbraw/zinc/31/26/22/1440312622.db2.gz HUOXKKIXWVOIOA-RBUKOAKNSA-N 2 0 345.531 3.285 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(C)cc1 ZINC001753143143 1440322618 /nfs/dbraw/zinc/32/26/18/1440322618.db2.gz KWMQDHDQVKTOGP-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC1CCCCCC1 ZINC001753145511 1440324101 /nfs/dbraw/zinc/32/41/01/1440324101.db2.gz KIRSFXFXVSAYRQ-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)c1ccccc1C ZINC001753147361 1440325344 /nfs/dbraw/zinc/32/53/44/1440325344.db2.gz ANFIXLQAKMYRQQ-PKOBYXMFSA-N 2 0 345.531 3.226 20 0 EGADRP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001753189961 1440337553 /nfs/dbraw/zinc/33/75/53/1440337553.db2.gz UFXYUYKRONMWQH-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753197236 1440338092 /nfs/dbraw/zinc/33/80/92/1440338092.db2.gz UYOKEJYSLVSZLI-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001753276855 1440346464 /nfs/dbraw/zinc/34/64/64/1440346464.db2.gz AZRBZNNUYDULEK-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001753315961 1440359538 /nfs/dbraw/zinc/35/95/38/1440359538.db2.gz JBXLMMQQRGBMOB-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001753327268 1440367301 /nfs/dbraw/zinc/36/73/01/1440367301.db2.gz JPVIARDLLCZLDC-ACBHZAAOSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001753350243 1440377465 /nfs/dbraw/zinc/37/74/65/1440377465.db2.gz FRQKUCUMSPAQIZ-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753350453 1440377710 /nfs/dbraw/zinc/37/77/10/1440377710.db2.gz JQWHLPCVJMBCAK-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753360012 1440382347 /nfs/dbraw/zinc/38/23/47/1440382347.db2.gz OENFLHPWZDFLIC-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](CCC(=O)N1CCC(C[N@H+](C)CC2CC2)CC1)C1CCCCC1 ZINC001753364473 1440384320 /nfs/dbraw/zinc/38/43/20/1440384320.db2.gz DJJLNJRDMLDQMV-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001753448204 1440405054 /nfs/dbraw/zinc/40/50/54/1440405054.db2.gz PBDRLVIQDDQLCV-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001753449852 1440405376 /nfs/dbraw/zinc/40/53/76/1440405376.db2.gz NFZYXSRDWGIFAI-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001753458757 1440409357 /nfs/dbraw/zinc/40/93/57/1440409357.db2.gz KBEIZIUKLLVIML-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001753462720 1440411760 /nfs/dbraw/zinc/41/17/60/1440411760.db2.gz ZSZZLILNQJLAGX-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1cc(C)cc(C)c1)C1CC1)[NH+](C)C ZINC001753525104 1440429386 /nfs/dbraw/zinc/42/93/86/1440429386.db2.gz RZNMSUBRBVPDKZ-FPOVZHCZSA-N 2 0 345.531 3.018 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001753527997 1440430154 /nfs/dbraw/zinc/43/01/54/1440430154.db2.gz KKXYYWWSFFLOJO-WIYYLYMNSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001753547830 1440434520 /nfs/dbraw/zinc/43/45/20/1440434520.db2.gz FJRFJAHLHREYJE-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001753548032 1440434575 /nfs/dbraw/zinc/43/45/75/1440434575.db2.gz HLSQAZJBWFNMFE-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001753585198 1440441166 /nfs/dbraw/zinc/44/11/66/1440441166.db2.gz XFSGOJYPPNPCAO-RTLRUIJZSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)CC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001753596914 1440444963 /nfs/dbraw/zinc/44/49/63/1440444963.db2.gz HLZUKYZTICYCLS-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753602005 1440446566 /nfs/dbraw/zinc/44/65/66/1440446566.db2.gz YDASFLYFVVBJGP-KAGICYHLSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CCC(C)(C)C ZINC001753632290 1440452456 /nfs/dbraw/zinc/45/24/56/1440452456.db2.gz LGYDIQLDBJDSMB-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH2+]CC1CCCC1 ZINC001753641538 1440454652 /nfs/dbraw/zinc/45/46/52/1440454652.db2.gz XJNZTGYZKIUKTK-FXAWDEMLSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001753645037 1440455534 /nfs/dbraw/zinc/45/55/34/1440455534.db2.gz QSQRUHBLPIMSTN-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001753664705 1440459927 /nfs/dbraw/zinc/45/99/27/1440459927.db2.gz ZWDNEQRBXRHPBZ-GOSISDBHSA-N 2 0 337.552 3.314 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC3CCCCC3)CCCC2)C1 ZINC001753670806 1440461945 /nfs/dbraw/zinc/46/19/45/1440461945.db2.gz FNMVQRYZQOVGNJ-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001753673210 1440462780 /nfs/dbraw/zinc/46/27/80/1440462780.db2.gz BEGDBOFBNBADJU-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001753675205 1440463131 /nfs/dbraw/zinc/46/31/31/1440463131.db2.gz VVIMBRNYVMPZHS-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753701839 1440468602 /nfs/dbraw/zinc/46/86/02/1440468602.db2.gz SGJUYEKMVGKJIF-HZPDHXFCSA-N 2 0 325.541 3.122 20 0 EGADRP CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001753734687 1440477264 /nfs/dbraw/zinc/47/72/64/1440477264.db2.gz GWEHWENZJSFPFJ-WOJBJXKFSA-N 2 0 345.531 3.180 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001753764118 1440484510 /nfs/dbraw/zinc/48/45/10/1440484510.db2.gz ZZUXIDQJKRYCAB-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)C1 ZINC001753824300 1440497719 /nfs/dbraw/zinc/49/77/19/1440497719.db2.gz YROFHFJEKQDIIN-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001753831121 1440499578 /nfs/dbraw/zinc/49/95/78/1440499578.db2.gz NFTBPNWRLKCZMR-RTBURBONSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1CCCC1 ZINC001753842301 1440503119 /nfs/dbraw/zinc/50/31/19/1440503119.db2.gz KDRWEMRCXATPJC-IBGZPJMESA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753866334 1440514460 /nfs/dbraw/zinc/51/44/60/1440514460.db2.gz DVMKYZABWQFNGT-HXUWFJFHSA-N 2 0 345.531 3.260 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001753878094 1440519895 /nfs/dbraw/zinc/51/98/95/1440519895.db2.gz NNSTYNVILJLMHR-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001753903429 1440523847 /nfs/dbraw/zinc/52/38/47/1440523847.db2.gz XIBRCJVPANXDLR-MOPGFXCFSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001753970311 1440527054 /nfs/dbraw/zinc/52/70/54/1440527054.db2.gz ATFINYRANASDJW-GOSISDBHSA-N 2 0 345.531 3.081 20 0 EGADRP C[C@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754007682 1440530973 /nfs/dbraw/zinc/53/09/73/1440530973.db2.gz RDUUTQROAMIQOT-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754018107 1440532045 /nfs/dbraw/zinc/53/20/45/1440532045.db2.gz AOPVQDOAEWWLNL-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754018136 1440532071 /nfs/dbraw/zinc/53/20/71/1440532071.db2.gz BFWCMRQHZZDYJW-SJORKVTESA-N 2 0 349.494 3.103 20 0 EGADRP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754072347 1440538339 /nfs/dbraw/zinc/53/83/39/1440538339.db2.gz VVUPOWLWLFBSNX-HKUYNNGSSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)(C)CCC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754120806 1440542732 /nfs/dbraw/zinc/54/27/32/1440542732.db2.gz WULJADLBOLNWAV-BQYQJAHWSA-N 2 0 337.552 3.339 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001754191446 1440548965 /nfs/dbraw/zinc/54/89/65/1440548965.db2.gz MCLVUQZQXMRDCH-DVBCCOPCSA-N 2 0 343.515 3.130 20 0 EGADRP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001754228639 1440553659 /nfs/dbraw/zinc/55/36/59/1440553659.db2.gz MGYWLHSPUPCTLD-YLJYHZDGSA-N 2 0 347.547 3.378 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754285728 1440564120 /nfs/dbraw/zinc/56/41/20/1440564120.db2.gz IZVBOJRRHWOGKE-ZWKOTPCHSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001754296742 1440566563 /nfs/dbraw/zinc/56/65/63/1440566563.db2.gz XVJWMHQNJUFEHN-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754312027 1440573633 /nfs/dbraw/zinc/57/36/33/1440573633.db2.gz VMVCPDWNYLRMHV-QGZVFWFLSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1ccc(C2CCCC2)cc1)NC(=O)CC[NH+](C)C ZINC001754322357 1440578760 /nfs/dbraw/zinc/57/87/60/1440578760.db2.gz DMJCVFNXNKMGFS-KRWDZBQOSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001754336672 1440586752 /nfs/dbraw/zinc/58/67/52/1440586752.db2.gz OIPWMERDJYWBEH-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001754337125 1440586988 /nfs/dbraw/zinc/58/69/88/1440586988.db2.gz RRFHSEKLHRNWCT-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754337536 1440587246 /nfs/dbraw/zinc/58/72/46/1440587246.db2.gz VYUGONBCXATWHH-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001754347322 1440589990 /nfs/dbraw/zinc/58/99/90/1440589990.db2.gz XMIPLIPNANKPKG-WMZOPIPTSA-N 2 0 337.552 3.312 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](CC)C1 ZINC001754466133 1440604317 /nfs/dbraw/zinc/60/43/17/1440604317.db2.gz AZWAMCDAHQADBP-VQTJNVASSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC ZINC001754466555 1440604408 /nfs/dbraw/zinc/60/44/08/1440604408.db2.gz GEJOWXHKHWGPJE-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1)CC(C)(C)C ZINC001754493923 1440611340 /nfs/dbraw/zinc/61/13/40/1440611340.db2.gz IAOAPWVWFQIZCL-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001754499775 1440613773 /nfs/dbraw/zinc/61/37/73/1440613773.db2.gz DPUUIGJMBQGSED-RBUKOAKNSA-N 2 0 345.531 3.287 20 0 EGADRP Cc1c(C(=O)NCC2([NH2+]CCC3CCCC3)CC2)ccc2c[nH+]cn21 ZINC001754519362 1440619407 /nfs/dbraw/zinc/61/94/07/1440619407.db2.gz WYZLHTKFZXJKIE-UHFFFAOYSA-N 2 0 340.471 3.075 20 0 EGADRP CC/C=C\CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001754539758 1440625787 /nfs/dbraw/zinc/62/57/87/1440625787.db2.gz VANMJIYDCSQHAP-SLVIYJBESA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC001754570418 1440636892 /nfs/dbraw/zinc/63/68/92/1440636892.db2.gz WACSAMACEFEIJR-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001754600819 1440642415 /nfs/dbraw/zinc/64/24/15/1440642415.db2.gz IBCDWTTUEUNNAJ-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C[C@H]1C ZINC001754605017 1440643094 /nfs/dbraw/zinc/64/30/94/1440643094.db2.gz VEECKOYJBSEPKI-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001754620536 1440645275 /nfs/dbraw/zinc/64/52/75/1440645275.db2.gz VWXSBGFAXOJAMS-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001754621398 1440645345 /nfs/dbraw/zinc/64/53/45/1440645345.db2.gz UWMJQNQCTAXWMV-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]C(C)C)c1ccc2ccccc2c1 ZINC001754644616 1440649922 /nfs/dbraw/zinc/64/99/22/1440649922.db2.gz VNRWZLWGVYZRCA-HXUWFJFHSA-N 2 0 341.499 3.337 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC001754653304 1440652576 /nfs/dbraw/zinc/65/25/76/1440652576.db2.gz XKIBYZRWJKYDGI-LJQANCHMSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001754661507 1440655089 /nfs/dbraw/zinc/65/50/89/1440655089.db2.gz GLVPKGTYUVTLGQ-RMUOZIPVSA-N 2 0 349.563 3.389 20 0 EGADRP CC/C=C/CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001754679401 1440661460 /nfs/dbraw/zinc/66/14/60/1440661460.db2.gz QTVGNRCWEDGORC-PVTFFILZSA-N 2 0 335.536 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754681464 1440662632 /nfs/dbraw/zinc/66/26/32/1440662632.db2.gz BHMPOXLLWXQIOJ-HXUWFJFHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001754701315 1440668048 /nfs/dbraw/zinc/66/80/48/1440668048.db2.gz XTOOAFPPIGSBPD-FQEVSTJZSA-N 2 0 349.563 3.293 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001754721355 1440673346 /nfs/dbraw/zinc/67/33/46/1440673346.db2.gz LGGXHRFLMWPANH-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001754722360 1440674079 /nfs/dbraw/zinc/67/40/79/1440674079.db2.gz UGXXHLQGCXHBQW-SNAWJCMRSA-N 2 0 349.563 3.437 20 0 EGADRP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001754727761 1440677240 /nfs/dbraw/zinc/67/72/40/1440677240.db2.gz MRJWHIQIFONHQG-AZUAARDMSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001754732095 1440680196 /nfs/dbraw/zinc/68/01/96/1440680196.db2.gz NJCCNERXRWQLFD-NRFANRHFSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCCCC1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754807128 1440691405 /nfs/dbraw/zinc/69/14/05/1440691405.db2.gz LWPSOATYGUEHIH-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001754807756 1440691532 /nfs/dbraw/zinc/69/15/32/1440691532.db2.gz SVTGVIUXIVNVKO-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001754838652 1440697377 /nfs/dbraw/zinc/69/73/77/1440697377.db2.gz MCLXYXFVXLSFBK-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1)C1CCCCC1 ZINC001754868760 1440704216 /nfs/dbraw/zinc/70/42/16/1440704216.db2.gz PUDAVQIXUXCEHB-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001754873462 1440705958 /nfs/dbraw/zinc/70/59/58/1440705958.db2.gz KGWYMBYKTIGELK-AWTIPJNISA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001754874709 1440706425 /nfs/dbraw/zinc/70/64/25/1440706425.db2.gz KODJZXARNPCTRU-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001754944082 1440712406 /nfs/dbraw/zinc/71/24/06/1440712406.db2.gz BZSFGLDWOZPZEY-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754988236 1440723595 /nfs/dbraw/zinc/72/35/95/1440723595.db2.gz WGXUFTDLJCVNBV-MOPGFXCFSA-N 2 0 347.547 3.212 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001754992566 1440724932 /nfs/dbraw/zinc/72/49/32/1440724932.db2.gz IPEJLDQKTLHATP-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001755044330 1440739600 /nfs/dbraw/zinc/73/96/00/1440739600.db2.gz QDKGHJXWWCLFSB-QZTJIDSGSA-N 2 0 339.568 3.323 20 0 EGADRP CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001755073655 1440747660 /nfs/dbraw/zinc/74/76/60/1440747660.db2.gz BVZSJDAEGVVORI-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755128126 1440756607 /nfs/dbraw/zinc/75/66/07/1440756607.db2.gz SVMXOKBGZXAVKG-SFHVURJKSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCC2CCCCC2)CC1 ZINC001755135268 1440758076 /nfs/dbraw/zinc/75/80/76/1440758076.db2.gz JASFDUONGVEJEA-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001755162966 1440765457 /nfs/dbraw/zinc/76/54/57/1440765457.db2.gz BOYJRNXEROJVJB-HKUYNNGSSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001755165855 1440766985 /nfs/dbraw/zinc/76/69/85/1440766985.db2.gz SYNORJJIXNDMGN-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001755184969 1440772674 /nfs/dbraw/zinc/77/26/74/1440772674.db2.gz QBBDKFWZLBDRRS-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001755195173 1440776501 /nfs/dbraw/zinc/77/65/01/1440776501.db2.gz KQTSJVYHTBVTKK-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001755277404 1440799521 /nfs/dbraw/zinc/79/95/21/1440799521.db2.gz KLXZCFODXJEXPF-QAPCUYQASA-N 2 0 349.494 3.055 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001755283273 1440801159 /nfs/dbraw/zinc/80/11/59/1440801159.db2.gz KAFSXBBEXZTEPA-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001755289383 1440803217 /nfs/dbraw/zinc/80/32/17/1440803217.db2.gz LTXQJZVFPLSYDO-ROUUACIJSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001755319567 1440817825 /nfs/dbraw/zinc/81/78/25/1440817825.db2.gz JAXKKXORONEMEY-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001755323976 1440820236 /nfs/dbraw/zinc/82/02/36/1440820236.db2.gz YKPWIRXTVNCEIP-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CCCC[C@H](C[NH2+]CC1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001755359347 1440831072 /nfs/dbraw/zinc/83/10/72/1440831072.db2.gz AFZYBZZIVDEBHP-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1)[NH+]1CCCCC1 ZINC001755363579 1440833065 /nfs/dbraw/zinc/83/30/65/1440833065.db2.gz KSQGWIRNRYESNT-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC001755416561 1440849149 /nfs/dbraw/zinc/84/91/49/1440849149.db2.gz UTJQBRUYYNXFQG-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001755417081 1440849302 /nfs/dbraw/zinc/84/93/02/1440849302.db2.gz YERHDKYZKNKXJC-HKUYNNGSSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001755502918 1440862776 /nfs/dbraw/zinc/86/27/76/1440862776.db2.gz KLNZTIVMALUQNJ-PKOBYXMFSA-N 2 0 335.536 3.234 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001755518003 1440864498 /nfs/dbraw/zinc/86/44/98/1440864498.db2.gz ZQVXOLGEYUJDAN-HKUYNNGSSA-N 2 0 345.531 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1F ZINC001755527188 1440866013 /nfs/dbraw/zinc/86/60/13/1440866013.db2.gz XIMPTUGBXOURBP-QFBILLFUSA-N 2 0 349.494 3.075 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@H]1C ZINC001755662786 1440892935 /nfs/dbraw/zinc/89/29/35/1440892935.db2.gz HDMXEHLVXLGLBM-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCC2CCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755687010 1440896065 /nfs/dbraw/zinc/89/60/65/1440896065.db2.gz RSBRZLUVAQKRNT-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001755691141 1440896685 /nfs/dbraw/zinc/89/66/85/1440896685.db2.gz SSTZQBGHTUULFN-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001755700075 1440899815 /nfs/dbraw/zinc/89/98/15/1440899815.db2.gz BYQGUFGDCBMGRX-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001755700074 1440899830 /nfs/dbraw/zinc/89/98/30/1440899830.db2.gz BYQGUFGDCBMGRX-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001755703361 1440901456 /nfs/dbraw/zinc/90/14/56/1440901456.db2.gz XMPQIELBBNJNJK-SOAMZJECSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001755704837 1440901999 /nfs/dbraw/zinc/90/19/99/1440901999.db2.gz QVWVILBCIUDYFB-QUCCMNQESA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC1CCCC1)CC2 ZINC001755705203 1440902434 /nfs/dbraw/zinc/90/24/34/1440902434.db2.gz VWOYSZXNTVJEFI-AZUAARDMSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC1CCCCCC1 ZINC001755722834 1440908131 /nfs/dbraw/zinc/90/81/31/1440908131.db2.gz OTILJTRUZMDWMX-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001755724728 1440908978 /nfs/dbraw/zinc/90/89/78/1440908978.db2.gz XHIKCFIQKMCXEF-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001755757582 1440914261 /nfs/dbraw/zinc/91/42/61/1440914261.db2.gz NVUIZFYSNVHFJA-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1)[NH+](CC)CC ZINC001755762274 1440915191 /nfs/dbraw/zinc/91/51/91/1440915191.db2.gz ZMPXMWHXECBZKX-OALUTQOASA-N 2 0 345.531 3.134 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001755765508 1440916128 /nfs/dbraw/zinc/91/61/28/1440916128.db2.gz QRVBPPOIZDPJBT-MAUKXSAKSA-N 2 0 349.494 3.055 20 0 EGADRP CCCCCC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001755822644 1440926179 /nfs/dbraw/zinc/92/61/79/1440926179.db2.gz UNMHFDHXVIDFGA-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)c(C)c1 ZINC001755839124 1440931115 /nfs/dbraw/zinc/93/11/15/1440931115.db2.gz JDXXOTNBYPURRL-IBGZPJMESA-N 2 0 347.547 3.264 20 0 EGADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001755851518 1440935107 /nfs/dbraw/zinc/93/51/07/1440935107.db2.gz WFJUKVPLTNUULK-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755890341 1440941188 /nfs/dbraw/zinc/94/11/88/1440941188.db2.gz DRWNRZLNWRXAGF-SFHVURJKSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(C3C[NH2+]C3)CC2)nc1 ZINC001164614509 719037611 /nfs/dbraw/zinc/03/76/11/719037611.db2.gz CNCSDBVOENAVNN-FQEVSTJZSA-N 2 0 342.531 3.454 20 0 EGADRP Cc1ncc2c(n1)CC[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000370671132 282170430 /nfs/dbraw/zinc/17/04/30/282170430.db2.gz NDAHYPYYVZLREK-GOSISDBHSA-N 2 0 328.504 3.029 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000375621408 282187615 /nfs/dbraw/zinc/18/76/15/282187615.db2.gz SHKLPNYMVRSECS-VQIMIIECSA-N 2 0 339.524 3.050 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165292243 529620965 /nfs/dbraw/zinc/62/09/65/529620965.db2.gz WTRORUDDXDWVNW-QUCCMNQESA-N 2 0 326.488 3.025 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC000062252789 214706786 /nfs/dbraw/zinc/70/67/86/214706786.db2.gz NZWXDULWWAYJQT-GJZGRUSLSA-N 2 0 339.549 3.420 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CC4CCOCC4)CC[C@@H]32)cc1 ZINC000178650611 232339698 /nfs/dbraw/zinc/33/96/98/232339698.db2.gz JTRQPLGWNDKNJQ-SFTDATJTSA-N 2 0 328.500 3.400 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103188368 219267682 /nfs/dbraw/zinc/26/76/82/219267682.db2.gz DNQCIPIKMAILAC-HXUWFJFHSA-N 2 0 339.483 3.057 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000040770240 213384604 /nfs/dbraw/zinc/38/46/04/213384604.db2.gz QPLVGYMOYKVDNB-ZIAGYGMSSA-N 2 0 329.941 3.324 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180790425 233988295 /nfs/dbraw/zinc/98/82/95/233988295.db2.gz OWLDSQFZYMHBNQ-UHFFFAOYSA-N 2 0 343.471 3.188 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125886 236125343 /nfs/dbraw/zinc/12/53/43/236125343.db2.gz AOWNSMHPPNTMJI-KRWDZBQOSA-N 2 0 343.515 3.197 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236708961 242329790 /nfs/dbraw/zinc/32/97/90/242329790.db2.gz CFEPJQGJQAKCOE-LJQANCHMSA-N 2 0 331.504 3.047 20 0 EGADRP Cc1noc(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237410975 242628955 /nfs/dbraw/zinc/62/89/55/242628955.db2.gz PTFRDRRJZDTZCG-HUUCEWRRSA-N 2 0 343.471 3.190 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000262653092 245097245 /nfs/dbraw/zinc/09/72/45/245097245.db2.gz SCQSNBUVYKBVLA-MOPGFXCFSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@](C)([NH3+])c1ccccc1)c1ccccc1 ZINC000262855363 245215862 /nfs/dbraw/zinc/21/58/62/245215862.db2.gz KOQHYPSYZXTMBO-HRAATJIYSA-N 2 0 339.483 3.106 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000078822474 217129632 /nfs/dbraw/zinc/12/96/32/217129632.db2.gz BNWWQTLCVNCDQC-WOJBJXKFSA-N 2 0 345.531 3.278 20 0 EGADRP Cn1nccc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000080201502 217287899 /nfs/dbraw/zinc/28/78/99/217287899.db2.gz IIQSXVTYZGADNP-UHFFFAOYSA-N 2 0 340.515 3.245 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1Br ZINC000111237150 220120633 /nfs/dbraw/zinc/12/06/33/220120633.db2.gz QIWBCVSQYRBCEN-NSHDSACASA-N 2 0 327.266 3.017 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000264013177 284368162 /nfs/dbraw/zinc/36/81/62/284368162.db2.gz GQEPUIPSYMXUBV-IEBWSBKVSA-N 2 0 333.520 3.306 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000171475528 284371182 /nfs/dbraw/zinc/37/11/82/284371182.db2.gz UZHCQGBFEKSLPA-FQEVSTJZSA-N 2 0 339.483 3.057 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000266180424 248152733 /nfs/dbraw/zinc/15/27/33/248152733.db2.gz SFXPCFSHTRELOV-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000377560523 169042313 /nfs/dbraw/zinc/04/23/13/169042313.db2.gz GKTJGARGMQEDBT-DBVUQKKJSA-N 2 0 339.483 3.304 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000377621504 169049774 /nfs/dbraw/zinc/04/97/74/169049774.db2.gz XKPRECXEONYJNF-IBGZPJMESA-N 2 0 327.472 3.033 20 0 EGADRP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377633577 169052580 /nfs/dbraw/zinc/05/25/80/169052580.db2.gz VKRLCCUDPBAKNS-AYBZRNKSSA-N 2 0 331.504 3.003 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)CC1 ZINC000378342301 169103643 /nfs/dbraw/zinc/10/36/43/169103643.db2.gz OAISSSRJPIDAMN-YLJYHZDGSA-N 2 0 345.531 3.393 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+]1C ZINC000378571046 169139812 /nfs/dbraw/zinc/13/98/12/169139812.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 2 0 341.543 3.359 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739232 218056317 /nfs/dbraw/zinc/05/63/17/218056317.db2.gz DZINLOALWJNYNF-GLJUWKHASA-N 2 0 331.435 3.342 20 0 EGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000095968946 218473288 /nfs/dbraw/zinc/47/32/88/218473288.db2.gz WBXKZBPKMNIZPY-AWEZNQCLSA-N 2 0 343.437 3.382 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257048 /nfs/dbraw/zinc/25/70/48/252257048.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000268812672 252263703 /nfs/dbraw/zinc/26/37/03/252263703.db2.gz BHQHJUBIHKIZDZ-LSDHHAIUSA-N 2 0 339.911 3.007 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)CCCCCC[NH3+])cc1 ZINC000269234596 255549999 /nfs/dbraw/zinc/54/99/99/255549999.db2.gz LLPSHRMXNKRLKO-UHFFFAOYSA-N 2 0 335.492 3.255 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000121125478 285319451 /nfs/dbraw/zinc/31/94/51/285319451.db2.gz YDTOUNVVWJNJHT-AZUAARDMSA-N 2 0 332.536 3.032 20 0 EGADRP C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342810001 141149883 /nfs/dbraw/zinc/14/98/83/141149883.db2.gz NGUIWZDMRWQYAN-KRWDZBQOSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000342810987 141150480 /nfs/dbraw/zinc/15/04/80/141150480.db2.gz SFDDXRIEBNDGLJ-AEFFLSMTSA-N 2 0 332.488 3.064 20 0 EGADRP O[C@@]1(CNCc2ccccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000344555955 141172861 /nfs/dbraw/zinc/17/28/61/141172861.db2.gz YLHITECUBASSSX-LJQANCHMSA-N 2 0 330.859 3.067 20 0 EGADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000353472353 141304605 /nfs/dbraw/zinc/30/46/05/141304605.db2.gz TULZDDJSNZHVQW-UXPWSPDFSA-N 2 0 343.515 3.491 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000354626458 141316766 /nfs/dbraw/zinc/31/67/66/141316766.db2.gz UHCYWUHRMKVNEH-IBGZPJMESA-N 2 0 347.503 3.076 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCOc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000351495022 144269547 /nfs/dbraw/zinc/26/95/47/144269547.db2.gz OTAPXTSCQFRSEI-DAXOMENPSA-N 2 0 328.378 3.143 20 0 EGADRP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357068123 144327319 /nfs/dbraw/zinc/32/73/19/144327319.db2.gz DIEZBEKOLGZJBA-LBPRGKRZSA-N 2 0 333.423 3.292 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000369965726 292198911 /nfs/dbraw/zinc/19/89/11/292198911.db2.gz ZYWIONJOUOHSFF-UYAOXDASSA-N 2 0 343.515 3.028 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1 ZINC000341532076 155338841 /nfs/dbraw/zinc/33/88/41/155338841.db2.gz OXRHTWCJSJTPEZ-UHFFFAOYSA-N 2 0 335.492 3.135 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000119040935 152168412 /nfs/dbraw/zinc/16/84/12/152168412.db2.gz ZJHNLIWLACXTGX-FFZOFVMBSA-N 2 0 333.520 3.008 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000121799550 152372335 /nfs/dbraw/zinc/37/23/35/152372335.db2.gz VCTZZDKHMGJODW-HXUWFJFHSA-N 2 0 345.531 3.251 20 0 EGADRP FC(F)(F)c1ccn([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)n1 ZINC000189181543 153055017 /nfs/dbraw/zinc/05/50/17/153055017.db2.gz CNZQVDFRSBFZFU-HNNXBMFYSA-N 2 0 344.425 3.415 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193161401 153280810 /nfs/dbraw/zinc/28/08/10/153280810.db2.gz INMMFLMSMMORQH-PXNSSMCTSA-N 2 0 344.499 3.030 20 0 EGADRP COc1ccc2cc(C[NH+]3CCC(OCCC[NH3+])CC3)ccc2c1 ZINC000325310935 154178283 /nfs/dbraw/zinc/17/82/83/154178283.db2.gz PZXDODGSMRBILU-UHFFFAOYSA-N 2 0 328.456 3.178 20 0 EGADRP CC(C)N1CCc2nc(C[NH2+][C@H]3CCC[C@@H]3OC(F)F)sc2C1 ZINC000337289644 154262062 /nfs/dbraw/zinc/26/20/62/154262062.db2.gz LUUBECFRCXOAEM-AAEUAGOBSA-N 2 0 345.459 3.160 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCC23CCC3)[C@H](c2ccccc2)C1 ZINC000337402675 154334358 /nfs/dbraw/zinc/33/43/58/154334358.db2.gz QPZXEACHHMUGKT-PMACEKPBSA-N 2 0 327.516 3.288 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[NH+](C)C ZINC000348943298 156297209 /nfs/dbraw/zinc/29/72/09/156297209.db2.gz XCZBFVPZQHKLPI-FQEVSTJZSA-N 2 0 345.531 3.121 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc2cc[nH]c21 ZINC000349060057 156336559 /nfs/dbraw/zinc/33/65/59/156336559.db2.gz FAELKSPBDTUBAI-IBGZPJMESA-N 2 0 328.504 3.016 20 0 EGADRP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccnc2)n1 ZINC000362086770 157015649 /nfs/dbraw/zinc/01/56/49/157015649.db2.gz NDEDBJPWWYWTRI-SFHVURJKSA-N 2 0 348.454 3.252 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(Cl)cc1F ZINC000368809098 157294987 /nfs/dbraw/zinc/29/49/87/157294987.db2.gz GGNXIQSBTPSQFD-PVAVHDDUSA-N 2 0 326.843 3.163 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000372745746 157376821 /nfs/dbraw/zinc/37/68/21/157376821.db2.gz VNEFNMWZQRIKRJ-MAUKXSAKSA-N 2 0 335.923 3.202 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121658527 162246651 /nfs/dbraw/zinc/24/66/51/162246651.db2.gz FLCQMDKEDJSRGX-LJQANCHMSA-N 2 0 347.503 3.076 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000248588485 163017317 /nfs/dbraw/zinc/01/73/17/163017317.db2.gz YNXTZQKZJQVIBN-ZIFCJYIRSA-N 2 0 338.536 3.155 20 0 EGADRP Cc1ccc2c(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)ccc(O)c2n1 ZINC000338317259 163211102 /nfs/dbraw/zinc/21/11/02/163211102.db2.gz PRWDTSWDKCDHTL-KRWDZBQOSA-N 2 0 339.483 3.413 20 0 EGADRP CCC[NH+](CCC)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000338936678 163392326 /nfs/dbraw/zinc/39/23/26/163392326.db2.gz MYQMPLWZFRUPEB-UHFFFAOYSA-N 2 0 345.531 3.151 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000354371547 166010904 /nfs/dbraw/zinc/01/09/04/166010904.db2.gz ILOMXJQCGNFMRP-FQEVSTJZSA-N 2 0 343.515 3.277 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000354379191 166013524 /nfs/dbraw/zinc/01/35/24/166013524.db2.gz DXXUIAMHOVVOBT-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]([NH3+])CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000340185921 163500139 /nfs/dbraw/zinc/50/01/39/163500139.db2.gz YFDYVGXTAPMFKI-LBPRGKRZSA-N 2 0 346.302 3.011 20 0 EGADRP C[C@H](c1ccc(F)c(F)c1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343745060 164024488 /nfs/dbraw/zinc/02/44/88/164024488.db2.gz WDDOVLLUOSPYIS-LSDHHAIUSA-N 2 0 337.458 3.126 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000343767874 164029791 /nfs/dbraw/zinc/02/97/91/164029791.db2.gz IAPMVIUQKMNWBE-WSTZPKSXSA-N 2 0 343.515 3.030 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccccc1 ZINC000343801432 164037473 /nfs/dbraw/zinc/03/74/73/164037473.db2.gz IWQLOWUBBPLQBB-SLYNCCJLSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)c1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000343816988 164041875 /nfs/dbraw/zinc/04/18/75/164041875.db2.gz UOSSGFBQEJELRN-HUUCEWRRSA-N 2 0 325.522 3.246 20 0 EGADRP C[C@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000344160458 164116672 /nfs/dbraw/zinc/11/66/72/164116672.db2.gz DXDXRXLREWWOER-NQIIRXRSSA-N 2 0 329.532 3.391 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344178193 164121284 /nfs/dbraw/zinc/12/12/84/164121284.db2.gz VJWFBFGYHXSXQD-FQEVSTJZSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345749511 164257925 /nfs/dbraw/zinc/25/79/25/164257925.db2.gz LDCZUUPFSNCSDR-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+](CC)CC ZINC000345790878 164266333 /nfs/dbraw/zinc/26/63/33/164266333.db2.gz TVDQLWDIQVZYFL-HXUWFJFHSA-N 2 0 345.531 3.409 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000345792086 164267292 /nfs/dbraw/zinc/26/72/92/164267292.db2.gz GKESCVITWKGUEP-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+](CC)CC ZINC000345974656 164307110 /nfs/dbraw/zinc/30/71/10/164307110.db2.gz DFVMEAYYHCKIRR-IBGZPJMESA-N 2 0 331.504 3.384 20 0 EGADRP Cc1cc(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)[nH]1 ZINC000354900568 166059312 /nfs/dbraw/zinc/05/93/12/166059312.db2.gz QSIXOLNEVJIBRH-UHFFFAOYSA-N 2 0 340.471 3.058 20 0 EGADRP COc1c(O)cccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350312556 165027677 /nfs/dbraw/zinc/02/76/77/165027677.db2.gz CMGDNHNJGALJRS-UHFFFAOYSA-N 2 0 341.455 3.144 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CC4=CCCOC4)C3)CC2)cc1 ZINC000353642198 165841077 /nfs/dbraw/zinc/84/10/77/165841077.db2.gz GVPFXGBSEFCQQY-UHFFFAOYSA-N 2 0 326.484 3.321 20 0 EGADRP COCC[NH+]1CCC(N[C@@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000355288194 166154528 /nfs/dbraw/zinc/15/45/28/166154528.db2.gz XCGMQCCKRUCBQF-NRFANRHFSA-N 2 0 339.483 3.180 20 0 EGADRP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355389222 166181929 /nfs/dbraw/zinc/18/19/29/166181929.db2.gz VYGXTAMADHJSLR-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@H+](C)[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000358937418 167013345 /nfs/dbraw/zinc/01/33/45/167013345.db2.gz VXZQFILEFVMDTC-IRXDYDNUSA-N 2 0 339.911 3.179 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1)C1CC1 ZINC000359290191 167117108 /nfs/dbraw/zinc/11/71/08/167117108.db2.gz RAOGKGXDCJUJNN-INIZCTEOSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000359681328 167207951 /nfs/dbraw/zinc/20/79/51/167207951.db2.gz TWMJYHDRIHPFPX-SFHVURJKSA-N 2 0 333.520 3.134 20 0 EGADRP CCOC(=O)[C@@H](CC(C)C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000360198479 167268802 /nfs/dbraw/zinc/26/88/02/167268802.db2.gz HJQLPTWNXDESHO-LJQANCHMSA-N 2 0 347.503 3.208 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2cc(OC)ccc2c1 ZINC000360239949 167279209 /nfs/dbraw/zinc/27/92/09/167279209.db2.gz DAMCPDKAUMKHRJ-TZIWHRDSSA-N 2 0 342.483 3.346 20 0 EGADRP O[C@@H](C[NH2+][C@H]1CCCc2c3ccccc3sc21)C[NH+]1CCCC1 ZINC000360242411 167280388 /nfs/dbraw/zinc/28/03/88/167280388.db2.gz OIDRKZIFMJULTO-YOEHRIQHSA-N 2 0 330.497 3.325 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552315 167355586 /nfs/dbraw/zinc/35/55/86/167355586.db2.gz NTIKMTATAXJRJN-JTSKRJEESA-N 2 0 349.478 3.366 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000361077377 167511830 /nfs/dbraw/zinc/51/18/30/167511830.db2.gz AZBPZTNHRJTUEP-UXHICEINSA-N 2 0 343.515 3.036 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000365001957 168010363 /nfs/dbraw/zinc/01/03/63/168010363.db2.gz OVEAVJZHYIGHDK-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP CC(C)N(C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000366884862 168152283 /nfs/dbraw/zinc/15/22/83/168152283.db2.gz OWOCBVMZBSHXPY-UHFFFAOYSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@H]1C[N@H+](Cc2csc3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367029285 168169790 /nfs/dbraw/zinc/16/97/90/168169790.db2.gz LMVFKBVVQPEUNG-LPHOPBHVSA-N 2 0 343.540 3.359 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000119586450 287271755 /nfs/dbraw/zinc/27/17/55/287271755.db2.gz PLOWSPODZNVAHX-HBFSDRIKSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000365805272 287288396 /nfs/dbraw/zinc/28/83/96/287288396.db2.gz JNNMQLNBWQEKQQ-UTKZUKDTSA-N 3 0 333.564 3.494 20 0 EGADRP c1cc2c(cc1[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C1CC1)OCCO2 ZINC000166359694 226156252 /nfs/dbraw/zinc/15/62/52/226156252.db2.gz MVYIXPSPIFCIOI-SQGPQFPESA-N 2 0 328.456 3.125 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123061154 222209648 /nfs/dbraw/zinc/20/96/48/222209648.db2.gz BUFGKPHBSVYXKF-KRWDZBQOSA-N 2 0 331.504 3.019 20 0 EGADRP COC(=O)c1oc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1C ZINC000178917632 265351556 /nfs/dbraw/zinc/35/15/56/265351556.db2.gz NKFNUKOARKMBON-UHFFFAOYSA-N 2 0 348.487 3.463 20 0 EGADRP COC(=O)c1cc2cc(C[N@H+](C)CCCn3ccnc3C)ccc2o1 ZINC000179494637 265380197 /nfs/dbraw/zinc/38/01/97/265380197.db2.gz APYZCSSOUJHGFM-UHFFFAOYSA-N 2 0 341.411 3.246 20 0 EGADRP OCC[NH+]1CCC(C[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000193290824 266021086 /nfs/dbraw/zinc/02/10/86/266021086.db2.gz KGUOZWHFYGKZCV-UHFFFAOYSA-N 2 0 345.314 3.220 20 0 EGADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000194018835 266084265 /nfs/dbraw/zinc/08/42/65/266084265.db2.gz NVNXJICGDQONFK-BZSNNMDCSA-N 2 0 345.531 3.454 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000261805866 266265086 /nfs/dbraw/zinc/26/50/86/266265086.db2.gz RHBNOKDOUOOIIK-YLJYHZDGSA-N 2 0 343.515 3.054 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(C)c1 ZINC000272487717 266853749 /nfs/dbraw/zinc/85/37/49/266853749.db2.gz BWEJIVJDRDVKLA-KRWDZBQOSA-N 2 0 331.504 3.342 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000273254775 267006714 /nfs/dbraw/zinc/00/67/14/267006714.db2.gz DYDWHUIDUVMRQZ-MSOLQXFVSA-N 2 0 346.515 3.464 20 0 EGADRP CCN1CC[NH+]([C@@H]2CCN(c3c(C)c(C)[nH+]c4ccccc43)C2)CC1 ZINC000273372199 267029069 /nfs/dbraw/zinc/02/90/69/267029069.db2.gz RTOYRIFUZCYWIR-GOSISDBHSA-N 2 0 338.499 3.068 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274779559 267286539 /nfs/dbraw/zinc/28/65/39/267286539.db2.gz OSRDNQDHSJNOPU-JOZSIVFUSA-N 2 0 340.511 3.444 20 0 EGADRP C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274962951 267311870 /nfs/dbraw/zinc/31/18/70/267311870.db2.gz WXYZTDJYPILEMQ-MJGOQNOKSA-N 2 0 344.499 3.172 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000275943614 267454615 /nfs/dbraw/zinc/45/46/15/267454615.db2.gz ZLEZJDVUILJZMB-CMOCDZPBSA-N 2 0 342.527 3.464 20 0 EGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278460909 268018931 /nfs/dbraw/zinc/01/89/31/268018931.db2.gz JCMPRIULDNIWBT-OXJNMPFZSA-N 2 0 332.488 3.163 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCc3c2c(F)ccc3F)C[C@@H](C)O1 ZINC000338202331 274347326 /nfs/dbraw/zinc/34/73/26/274347326.db2.gz ZNUHOAOVTJMYBB-LBTNJELSSA-N 2 0 338.442 3.431 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000371107469 274774743 /nfs/dbraw/zinc/77/47/43/274774743.db2.gz OOPMNMZLORUHDV-RXVVDRJESA-N 2 0 327.516 3.131 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524663 275057431 /nfs/dbraw/zinc/05/74/31/275057431.db2.gz JBFZYZFZVJUQSA-ZYSHUDEJSA-N 2 0 334.891 3.322 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134889048 275057659 /nfs/dbraw/zinc/05/76/59/275057659.db2.gz JBFZYZFZVJUQSA-ATZDWAIDSA-N 2 0 334.891 3.322 20 0 EGADRP c1ccc(-c2noc([C@H]3CCCC[N@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000178971943 275066561 /nfs/dbraw/zinc/06/65/61/275066561.db2.gz SSJMDABOGKEOME-QGZVFWFLSA-N 2 0 326.444 3.263 20 0 EGADRP c1cn(CCC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000370360732 275072672 /nfs/dbraw/zinc/07/26/72/275072672.db2.gz ZXRDHVKTTBHURT-NRFANRHFSA-N 2 0 338.499 3.261 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179704249 275203319 /nfs/dbraw/zinc/20/33/19/275203319.db2.gz DAHPHYHJTSRIMF-UHFFFAOYSA-N 2 0 340.515 3.485 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000181409084 275206946 /nfs/dbraw/zinc/20/69/46/275206946.db2.gz SJUNJTYBJNLBKS-HKBOAZHASA-N 2 0 344.499 3.040 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000271895973 275239364 /nfs/dbraw/zinc/23/93/64/275239364.db2.gz FSEKNYNKVUUDLS-BWAGFHJFSA-N 2 0 336.479 3.099 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000279510302 275336139 /nfs/dbraw/zinc/33/61/39/275336139.db2.gz AIOJEXDUTCSCKE-NHCUHLMSSA-N 2 0 329.532 3.138 20 0 EGADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000284468001 275803278 /nfs/dbraw/zinc/80/32/78/275803278.db2.gz VPIFZEFFEJRTTK-MRXNPFEDSA-N 2 0 342.487 3.227 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284501649 275805604 /nfs/dbraw/zinc/80/56/04/275805604.db2.gz VRSINQVCGDKKLA-GCJKJVERSA-N 2 0 343.559 3.179 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352056452 276024816 /nfs/dbraw/zinc/02/48/16/276024816.db2.gz CNYQAMJXHWIGIO-VQTJNVASSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000286990833 276067601 /nfs/dbraw/zinc/06/76/01/276067601.db2.gz JQBYRJNJYWVLSF-QMMLZNLJSA-N 2 0 347.547 3.396 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000349723175 276100146 /nfs/dbraw/zinc/10/01/46/276100146.db2.gz QSGNVDHHRZKEOE-HXUWFJFHSA-N 2 0 346.515 3.337 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000354107531 276100688 /nfs/dbraw/zinc/10/06/88/276100688.db2.gz QSYJZCUDOGRBIR-KRWDZBQOSA-N 2 0 340.895 3.281 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000155681625 276199614 /nfs/dbraw/zinc/19/96/14/276199614.db2.gz NZUACQRBMUJEEO-MJGOQNOKSA-N 2 0 343.515 3.049 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCSCC2)[C@@H](C)C1 ZINC000250079201 276316218 /nfs/dbraw/zinc/31/62/18/276316218.db2.gz OXNASVFSKLZPHF-BQFCYCMXSA-N 2 0 328.566 3.245 20 0 EGADRP Cc1cc(C)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1C ZINC000289403482 276333934 /nfs/dbraw/zinc/33/39/34/276333934.db2.gz GULNTXOZVJGZKK-UHFFFAOYSA-N 2 0 329.532 3.071 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000354266102 276365379 /nfs/dbraw/zinc/36/53/79/276365379.db2.gz MPNIIGATFJBCLP-PMACEKPBSA-N 2 0 343.515 3.123 20 0 EGADRP COC(=O)CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000289707160 276381420 /nfs/dbraw/zinc/38/14/20/276381420.db2.gz GLPOVBUCFKJQQK-VAMGGRTRSA-N 2 0 344.499 3.220 20 0 EGADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000181753735 276462948 /nfs/dbraw/zinc/46/29/48/276462948.db2.gz CAKFGWFIFVMBQS-IEBWSBKVSA-N 2 0 331.504 3.036 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000340584668 277032489 /nfs/dbraw/zinc/03/24/89/277032489.db2.gz VFUJFSKWZDLINE-AWEZNQCLSA-N 2 0 329.271 3.027 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[NH+](C)CC1 ZINC000353642414 278125852 /nfs/dbraw/zinc/12/58/52/278125852.db2.gz LEXNYTJXBSJXPB-OAHLLOKOSA-N 2 0 326.456 3.369 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355378026 278253416 /nfs/dbraw/zinc/25/34/16/278253416.db2.gz YVARYYDZLKKICR-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000155137182 278261119 /nfs/dbraw/zinc/26/11/19/278261119.db2.gz REKADRZOMCLRCF-BLLLJJGKSA-N 2 0 342.314 3.206 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC000355660610 279153361 /nfs/dbraw/zinc/15/33/61/279153361.db2.gz WBWGFNYRWRONDW-IBGZPJMESA-N 2 0 331.504 3.012 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1)C1CC1 ZINC000360084187 279234721 /nfs/dbraw/zinc/23/47/21/279234721.db2.gz JEFQHHKZSCOXDR-SFHVURJKSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCNc3ccccc32)C[C@@H](C)O1 ZINC000192767356 288160140 /nfs/dbraw/zinc/16/01/40/288160140.db2.gz BVJYENXRGCNXMQ-MBOZVWFJSA-N 2 0 331.504 3.412 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000078822444 280077334 /nfs/dbraw/zinc/07/73/34/280077334.db2.gz BNWWQTLCVNCDQC-PMACEKPBSA-N 2 0 345.531 3.278 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000371107471 281123511 /nfs/dbraw/zinc/12/35/11/281123511.db2.gz OOPMNMZLORUHDV-WIYYLYMNSA-N 2 0 327.516 3.131 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000371107462 281126273 /nfs/dbraw/zinc/12/62/73/281126273.db2.gz OOPMNMZLORUHDV-GHTZIAJQSA-N 2 0 327.516 3.131 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000261674774 281834701 /nfs/dbraw/zinc/83/47/01/281834701.db2.gz GKCNQSYGJUHRSN-ZACQAIPSSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@@]1(O)CCC[N@H+](CCCCCC[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000376437166 289208321 /nfs/dbraw/zinc/20/83/21/289208321.db2.gz ZBMXJBRLHQGGDJ-BGYRXZFFSA-N 2 0 340.552 3.021 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000345005494 289272592 /nfs/dbraw/zinc/27/25/92/289272592.db2.gz SOTBYBCWTZIYFF-FCGDIQPGSA-N 2 0 335.536 3.115 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000091334724 298619285 /nfs/dbraw/zinc/61/92/85/298619285.db2.gz WUVSCSACQSUZQI-OXQOHEQNSA-N 2 0 333.495 3.283 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(OC(F)F)c2)C[C@@H](C)O1 ZINC000057969347 307347765 /nfs/dbraw/zinc/34/77/65/307347765.db2.gz IBTIPSCLEQVHDC-HUUCEWRRSA-N 2 0 342.430 3.267 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122575019 307530920 /nfs/dbraw/zinc/53/09/20/307530920.db2.gz VSSXNISWKPLDQV-AZUAARDMSA-N 2 0 346.515 3.335 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123110903 307536279 /nfs/dbraw/zinc/53/62/79/307536279.db2.gz UKTASSNILBEUQC-FQEVSTJZSA-N 2 0 348.531 3.097 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000123424216 307539128 /nfs/dbraw/zinc/53/91/28/307539128.db2.gz XYVWXRWDYDEIEN-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070139 309059025 /nfs/dbraw/zinc/05/90/25/309059025.db2.gz SCZSJIYDYCRTLA-HKUYNNGSSA-N 2 0 335.923 3.203 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)CN1CC[NH+](C)CC1 ZINC000414083200 309059862 /nfs/dbraw/zinc/05/98/62/309059862.db2.gz WAHFMNJZHHJYNK-IMFGXOCKSA-N 2 0 349.950 3.449 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)C[C@H]2CCCO2)CC1 ZINC000151868712 307740713 /nfs/dbraw/zinc/74/07/13/307740713.db2.gz NPAQCPZKLRUQMX-UYAOXDASSA-N 2 0 345.531 3.266 20 0 EGADRP CCn1ccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000414212437 309067059 /nfs/dbraw/zinc/06/70/59/309067059.db2.gz RSSWVVYFERZIIJ-UHFFFAOYSA-N 2 0 326.488 3.436 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000155617601 307817366 /nfs/dbraw/zinc/81/73/66/307817366.db2.gz SRPRZTRFVMRBRY-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000155629454 307817776 /nfs/dbraw/zinc/81/77/76/307817776.db2.gz NSGAPCQKYLYUEW-CVEARBPZSA-N 2 0 335.561 3.304 20 0 EGADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159154054 307869363 /nfs/dbraw/zinc/86/93/63/307869363.db2.gz VKGCKUMXIDBJQS-RTBURBONSA-N 2 0 330.520 3.138 20 0 EGADRP Cc1ccnc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414312080 309072146 /nfs/dbraw/zinc/07/21/46/309072146.db2.gz VWUUFUWDOTZFPQ-GOSISDBHSA-N 2 0 339.483 3.068 20 0 EGADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414341771 309073863 /nfs/dbraw/zinc/07/38/63/309073863.db2.gz OJIAXIACBFYNBE-MRXNPFEDSA-N 2 0 345.531 3.298 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000166000159 307930452 /nfs/dbraw/zinc/93/04/52/307930452.db2.gz QNKFRQUWXPZLHL-CJNGLKHVSA-N 2 0 343.309 3.457 20 0 EGADRP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000414342586 309074173 /nfs/dbraw/zinc/07/41/73/309074173.db2.gz QCDHHSQAMFEOTK-CRSSMBPESA-N 2 0 328.500 3.038 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000248755919 308011065 /nfs/dbraw/zinc/01/10/65/308011065.db2.gz CQQONOPKKLVPIX-AZUAARDMSA-N 2 0 340.467 3.404 20 0 EGADRP FC(F)COCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248889660 308014399 /nfs/dbraw/zinc/01/43/99/308014399.db2.gz AQCAAVUVAKLEGV-RCCFBDPRSA-N 2 0 338.442 3.158 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000249086440 308018521 /nfs/dbraw/zinc/01/85/21/308018521.db2.gz FODRRLHCZBPWHE-FKBYEOEOSA-N 2 0 343.559 3.259 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293611706 308146341 /nfs/dbraw/zinc/14/63/41/308146341.db2.gz GPTZNRBDCQESOT-MRXNPFEDSA-N 2 0 345.487 3.416 20 0 EGADRP Cc1cnc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000294967513 308277311 /nfs/dbraw/zinc/27/73/11/308277311.db2.gz FIMUPNOHDKNLTC-UHFFFAOYSA-N 2 0 345.512 3.258 20 0 EGADRP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000295149331 308296815 /nfs/dbraw/zinc/29/68/15/308296815.db2.gz QWHCHDHJXNIGNN-ZIBCJSCZSA-N 2 0 330.516 3.285 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000295147958 308296965 /nfs/dbraw/zinc/29/69/65/308296965.db2.gz JGUPRKIADIYXSE-GQIGUUNPSA-N 2 0 332.488 3.063 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ncc(C)s3)CC2)cc1 ZINC000295196879 308301780 /nfs/dbraw/zinc/30/17/80/308301780.db2.gz OPPBSASENTUBQP-UHFFFAOYSA-N 2 0 345.512 3.462 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(F)ncc1F ZINC000295588529 308341239 /nfs/dbraw/zinc/34/12/39/308341239.db2.gz DZRCYDHUINBKCQ-KBXCAEBGSA-N 2 0 331.410 3.360 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cs1 ZINC000295939322 308376610 /nfs/dbraw/zinc/37/66/10/308376610.db2.gz KUSVMOIVGUHTQU-HNNXBMFYSA-N 2 0 330.501 3.054 20 0 EGADRP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695704 309095870 /nfs/dbraw/zinc/09/58/70/309095870.db2.gz OMBUDNPAMUMLMN-CABCVRRESA-N 2 0 337.895 3.379 20 0 EGADRP C[C@@H](C[NH3+])CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414717625 309097256 /nfs/dbraw/zinc/09/72/56/309097256.db2.gz UPHPOIWRZAOVLE-HNNXBMFYSA-N 2 0 332.492 3.167 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC[NH2+]1 ZINC000414717933 309097287 /nfs/dbraw/zinc/09/72/87/309097287.db2.gz ZXBHTXHVLBNLIX-CVEARBPZSA-N 2 0 344.478 3.468 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC[NH2+]1 ZINC000414715670 309097068 /nfs/dbraw/zinc/09/70/68/309097068.db2.gz ZBJGNEKGCVHHOJ-KEYYUXOJSA-N 2 0 340.414 3.049 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC[NH2+]1 ZINC000414717936 309097152 /nfs/dbraw/zinc/09/71/52/309097152.db2.gz ZXBHTXHVLBNLIX-JKSUJKDBSA-N 2 0 344.478 3.468 20 0 EGADRP CCCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccccc1 ZINC000414718896 309097336 /nfs/dbraw/zinc/09/73/36/309097336.db2.gz ZWVFPMOKRVYBPK-MSOLQXFVSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414757594 309099067 /nfs/dbraw/zinc/09/90/67/309099067.db2.gz SUYIVOBMJWXALV-DOTOQJQBSA-N 2 0 346.906 3.464 20 0 EGADRP CCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCC ZINC000414768096 309099686 /nfs/dbraw/zinc/09/96/86/309099686.db2.gz LEILYIABRFDSAZ-HDICACEKSA-N 2 0 332.488 3.306 20 0 EGADRP Brc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414775297 309100316 /nfs/dbraw/zinc/10/03/16/309100316.db2.gz GLBHKBMIRKQFBQ-QWHCGFSZSA-N 2 0 329.307 3.332 20 0 EGADRP Cc1cc2cc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)oc2cc1C ZINC000414784216 309100941 /nfs/dbraw/zinc/10/09/41/309100941.db2.gz QWXHQFYWGQBIHS-QGZVFWFLSA-N 2 0 328.456 3.237 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000414786186 309101102 /nfs/dbraw/zinc/10/11/02/309101102.db2.gz UGUXJOMKCXJIKJ-MSOLQXFVSA-N 2 0 338.499 3.217 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414788130 309101401 /nfs/dbraw/zinc/10/14/01/309101401.db2.gz WIBINTIQPVTFIF-CGTJXYLNSA-N 2 0 334.479 3.334 20 0 EGADRP COc1sc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000414799579 309102233 /nfs/dbraw/zinc/10/22/33/309102233.db2.gz KCUJDICQZIDPNK-JOYOIKCWSA-N 2 0 333.295 3.126 20 0 EGADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1OCc1ccccc1 ZINC000414813587 309103237 /nfs/dbraw/zinc/10/32/37/309103237.db2.gz YNWIEDWDFOBXOI-MOPGFXCFSA-N 2 0 340.467 3.491 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414837492 309104709 /nfs/dbraw/zinc/10/47/09/309104709.db2.gz KFYXLMRBNFMZNU-VIFPVBQESA-N 2 0 339.199 3.413 20 0 EGADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414848926 309105247 /nfs/dbraw/zinc/10/52/47/309105247.db2.gz XPTSEGRGZOUQGB-ZDUSSCGKSA-N 2 0 346.393 3.116 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000411462464 308939974 /nfs/dbraw/zinc/93/99/74/308939974.db2.gz KBNRNPVBQVKUTR-OAHLLOKOSA-N 2 0 349.544 3.050 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000411518724 308942462 /nfs/dbraw/zinc/94/24/62/308942462.db2.gz JUEJTYGVLPJCAE-AWEZNQCLSA-N 2 0 345.512 3.152 20 0 EGADRP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411534755 308943137 /nfs/dbraw/zinc/94/31/37/308943137.db2.gz QAWHMTJWLXESTF-DLBZAZTESA-N 2 0 332.488 3.350 20 0 EGADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411534757 308943228 /nfs/dbraw/zinc/94/32/28/308943228.db2.gz QAWHMTJWLXESTF-IRXDYDNUSA-N 2 0 332.488 3.350 20 0 EGADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1Br ZINC000453607048 310284167 /nfs/dbraw/zinc/28/41/67/310284167.db2.gz WWICJXVBMCHHMU-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP CC(C)[NH+](CCSCCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000413003121 309011649 /nfs/dbraw/zinc/01/16/49/309011649.db2.gz UBXDGLXEIKVUAQ-UHFFFAOYSA-N 2 0 329.598 3.255 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000414849007 309105420 /nfs/dbraw/zinc/10/54/20/309105420.db2.gz WXSASFXJJHKIFU-XUVXKRRUSA-N 2 0 327.516 3.148 20 0 EGADRP CC[NH+]1CCN(c2ccccc2CNc2cccc(C[NH2+]C)c2)CC1 ZINC000414867950 309106413 /nfs/dbraw/zinc/10/64/13/309106413.db2.gz OBRRVQRFMAWFBM-UHFFFAOYSA-N 2 0 338.499 3.160 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](C)C[NH3+])cc2)c1 ZINC000414885770 309107321 /nfs/dbraw/zinc/10/73/21/309107321.db2.gz XJTNWLGKLDKOKN-CQSZACIVSA-N 2 0 330.428 3.181 20 0 EGADRP CC1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000414902170 309108293 /nfs/dbraw/zinc/10/82/93/309108293.db2.gz KMVLKAQWPFOVAS-UHFFFAOYSA-N 2 0 335.923 3.284 20 0 EGADRP CCOc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000414963114 309111833 /nfs/dbraw/zinc/11/18/33/309111833.db2.gz CPJMQSATHPSKBW-AWEZNQCLSA-N 2 0 328.403 3.309 20 0 EGADRP c1sc(COc2ccccc2)nc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969830 309112163 /nfs/dbraw/zinc/11/21/63/309112163.db2.gz JQLPOTDHFYZAJW-OAHLLOKOSA-N 2 0 331.485 3.344 20 0 EGADRP c1ccc(OCc2cccnc2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414972630 309112339 /nfs/dbraw/zinc/11/23/39/309112339.db2.gz MONZTGOYLYJNMD-IBGZPJMESA-N 2 0 325.456 3.282 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414976465 309112547 /nfs/dbraw/zinc/11/25/47/309112547.db2.gz QEAILDWHJNPCTD-LJQANCHMSA-N 2 0 325.456 3.138 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414975979 309112558 /nfs/dbraw/zinc/11/25/58/309112558.db2.gz PFALVRIBWBSJKT-ZBFHGGJFSA-N 2 0 337.895 3.487 20 0 EGADRP CCOc1cccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1OC(F)F ZINC000414997838 309113394 /nfs/dbraw/zinc/11/33/94/309113394.db2.gz QCKWCULHHCSKIQ-JSGCOSHPSA-N 2 0 328.403 3.294 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415029128 309115356 /nfs/dbraw/zinc/11/53/56/309115356.db2.gz DIINNWITOUOVAB-GXTWGEPZSA-N 2 0 346.393 3.243 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415031549 309115484 /nfs/dbraw/zinc/11/54/84/309115484.db2.gz HBHGVVGMOGBHGA-GXTWGEPZSA-N 2 0 326.868 3.354 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415041055 309116128 /nfs/dbraw/zinc/11/61/28/309116128.db2.gz PMMHLTVTCIOWJK-UPJWGTAASA-N 2 0 343.393 3.140 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000415049740 309116608 /nfs/dbraw/zinc/11/66/08/309116608.db2.gz YANQVPBWWAAWPN-QFBILLFUSA-N 2 0 347.466 3.151 20 0 EGADRP COc1ccc([C@H](C[NH2+]C2CCC([NH3+])CC2)N2CCCCC2)cc1 ZINC000415085675 309119343 /nfs/dbraw/zinc/11/93/43/309119343.db2.gz QNGOLLZTWOUQBO-QLOJAFMTSA-N 2 0 331.504 3.082 20 0 EGADRP COc1ccc(C2(C[NH2+]C[C@]3(C)CC[NH2+]C3)CCCCC2)cc1OC ZINC000415091981 309119649 /nfs/dbraw/zinc/11/96/49/309119649.db2.gz ROOPRDCJFDXLBG-HXUWFJFHSA-N 2 0 346.515 3.495 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000415118352 309121525 /nfs/dbraw/zinc/12/15/25/309121525.db2.gz DBGGWBLMUVSESK-DLBZAZTESA-N 2 0 342.405 3.424 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415120422 309121761 /nfs/dbraw/zinc/12/17/61/309121761.db2.gz FZMSCFUDIWWGDX-IUODEOHRSA-N 2 0 348.441 3.184 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000415130018 309122617 /nfs/dbraw/zinc/12/26/17/309122617.db2.gz WHLXBLZIEGPFMC-MAUKXSAKSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000415131469 309122779 /nfs/dbraw/zinc/12/27/79/309122779.db2.gz SHXHATFTNKFWJG-IRXDYDNUSA-N 2 0 326.843 3.197 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000415899849 309146942 /nfs/dbraw/zinc/14/69/42/309146942.db2.gz KNLIBVBEDPUYJL-HNNXBMFYSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000415912334 309147886 /nfs/dbraw/zinc/14/78/86/309147886.db2.gz GKGYEZAHDALWEI-UHFFFAOYSA-N 2 0 332.492 3.040 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000415922830 309148841 /nfs/dbraw/zinc/14/88/41/309148841.db2.gz UUPLCBNJLKKIFB-INIZCTEOSA-N 2 0 346.519 3.428 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415928938 309149232 /nfs/dbraw/zinc/14/92/32/309149232.db2.gz GJNNILQAYNWADN-MRXNPFEDSA-N 2 0 346.519 3.428 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415947918 309150779 /nfs/dbraw/zinc/15/07/79/309150779.db2.gz XLUIGPGKWMAWTM-HKUYNNGSSA-N 2 0 346.519 3.428 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988792 309153257 /nfs/dbraw/zinc/15/32/57/309153257.db2.gz DNCGAVMWPVORKX-UHFFFAOYSA-N 2 0 332.492 3.122 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417176256 309196211 /nfs/dbraw/zinc/19/62/11/309196211.db2.gz KGHXRAMFWTWNHV-GOSISDBHSA-N 2 0 346.519 3.029 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312098 309201257 /nfs/dbraw/zinc/20/12/57/309201257.db2.gz REQDURDCSZIKIW-BHYGNILZSA-N 2 0 345.512 3.365 20 0 EGADRP CCC(CC)(CNC(=O)N(C)C1CC([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417708374 309219161 /nfs/dbraw/zinc/21/91/61/309219161.db2.gz RSTXFLOWUQSUEY-ZLPCBKJTSA-N 2 0 346.519 3.027 20 0 EGADRP C[C@@H](CCC[NH3+])NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000417709054 309219179 /nfs/dbraw/zinc/21/91/79/309219179.db2.gz SPSXAVVTCDMPDK-IRXDYDNUSA-N 2 0 346.519 3.077 20 0 EGADRP CCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000417887970 309227038 /nfs/dbraw/zinc/22/70/38/309227038.db2.gz ZFVYQNBDKJBPED-KRWDZBQOSA-N 2 0 326.488 3.425 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCOCC3CCC3)CC2)C[C@H](C)O1 ZINC000419222789 309261626 /nfs/dbraw/zinc/26/16/26/309261626.db2.gz XNVRHIWQDKDRFE-ROUUACIJSA-N 2 0 338.536 3.014 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298920 309280159 /nfs/dbraw/zinc/28/01/59/309280159.db2.gz AGCBTSYDCXBHCT-WBAXXEDZSA-N 2 0 342.874 3.275 20 0 EGADRP c1csc(C[N@@H+](CC[C@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420303292 309280540 /nfs/dbraw/zinc/28/05/40/309280540.db2.gz CRBGSKMKLDAISR-HZPDHXFCSA-N 2 0 335.517 3.046 20 0 EGADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420306855 309280752 /nfs/dbraw/zinc/28/07/52/309280752.db2.gz BCIXKCRSFMLIFW-KBXCAEBGSA-N 2 0 330.863 3.151 20 0 EGADRP Cn1ccnc1C[N@H+](CCCCC(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000420310609 309280881 /nfs/dbraw/zinc/28/08/81/309280881.db2.gz MMLFRKKACDICRU-CQSZACIVSA-N 2 0 344.425 3.097 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]21 ZINC000420317630 309281541 /nfs/dbraw/zinc/28/15/41/309281541.db2.gz ZRARFGUKRJHVSR-SESVDKBCSA-N 2 0 337.467 3.220 20 0 EGADRP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420321258 309281974 /nfs/dbraw/zinc/28/19/74/309281974.db2.gz COWOYUJLAYVRPZ-ZWKOTPCHSA-N 2 0 325.456 3.472 20 0 EGADRP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321218 309282082 /nfs/dbraw/zinc/28/20/82/309282082.db2.gz CNZLNWIBAPQNGP-BPQIPLTHSA-N 2 0 340.471 3.043 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420322007 309282210 /nfs/dbraw/zinc/28/22/10/309282210.db2.gz DPRRSRKGNYAGHI-JYJNAYRXSA-N 2 0 347.528 3.057 20 0 EGADRP Clc1ccc(-n2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000420324473 309282349 /nfs/dbraw/zinc/28/23/49/309282349.db2.gz APQXIXUWYXTNTB-UHFFFAOYSA-N 2 0 330.863 3.101 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334319 309282791 /nfs/dbraw/zinc/28/27/91/309282791.db2.gz GDSKIECXPQEZCI-BZSNNMDCSA-N 2 0 343.515 3.459 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336646 309283016 /nfs/dbraw/zinc/28/30/16/309283016.db2.gz IYVYJXWZBNVBNP-WMZOPIPTSA-N 2 0 329.488 3.094 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340651 309283327 /nfs/dbraw/zinc/28/33/27/309283327.db2.gz NBKQFLYEIDBEJU-DLBZAZTESA-N 2 0 329.488 3.070 20 0 EGADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345769 309283382 /nfs/dbraw/zinc/28/33/82/309283382.db2.gz WOQHCZBLUBCYQB-IRXDYDNUSA-N 2 0 343.515 3.244 20 0 EGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1 ZINC000420343489 309283453 /nfs/dbraw/zinc/28/34/53/309283453.db2.gz ZKRJLMJQBQKTFG-QGZVFWFLSA-N 2 0 335.879 3.133 20 0 EGADRP Cc1ccc(-c2noc(CCC[NH2+][C@H]3CC[NH2+]CC3(C)C)n2)cc1F ZINC000420372018 309284719 /nfs/dbraw/zinc/28/47/19/309284719.db2.gz XMKWKMHOALRINA-INIZCTEOSA-N 2 0 346.450 3.094 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000420374190 309285087 /nfs/dbraw/zinc/28/50/87/309285087.db2.gz NSBPMTZGEQPWKC-RDTXWAMCSA-N 2 0 341.455 3.047 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCc3c(F)cccc3Cl)CC2)C1 ZINC000420389617 309286021 /nfs/dbraw/zinc/28/60/21/309286021.db2.gz MHBRUJQAUNJPCX-KDOFPFPSSA-N 2 0 340.870 3.240 20 0 EGADRP CC[C@@H](NCc1cccc(CN2CCOCC2)c1)c1nccs1 ZINC000420933322 309302165 /nfs/dbraw/zinc/30/21/65/309302165.db2.gz HWZPQWCZCCDJFS-QGZVFWFLSA-N 2 0 331.485 3.216 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C\c3ccccc3)CC2)CC1 ZINC000421004019 309307209 /nfs/dbraw/zinc/30/72/09/309307209.db2.gz HQUGIMPUGUBUIQ-POHAHGRESA-N 2 0 327.516 3.192 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421829213 309341994 /nfs/dbraw/zinc/34/19/94/309341994.db2.gz HBFTXORCENGUTQ-CZUORRHYSA-N 2 0 330.875 3.357 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000421838806 309342662 /nfs/dbraw/zinc/34/26/62/309342662.db2.gz VQQDEKIVXGXNHM-RHSMWYFYSA-N 2 0 342.886 3.237 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCC1 ZINC000421842492 309342777 /nfs/dbraw/zinc/34/27/77/309342777.db2.gz OAGGTYCWXQZMML-FXAWDEMLSA-N 2 0 346.515 3.081 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421840717 309342808 /nfs/dbraw/zinc/34/28/08/309342808.db2.gz IZHPNPLNASDWDP-CABCVRRESA-N 2 0 341.902 3.026 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421849246 309343242 /nfs/dbraw/zinc/34/32/42/309343242.db2.gz BMECSZOIRSEYTD-PZJWPPBQSA-N 2 0 335.495 3.441 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000421876808 309344731 /nfs/dbraw/zinc/34/47/31/309344731.db2.gz LDJRACUQQWTLEO-IPJUCJBFSA-N 3 0 333.520 3.150 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422558913 309361546 /nfs/dbraw/zinc/36/15/46/309361546.db2.gz BGTCPGIGVVTXBE-FMKPAKJESA-N 2 0 330.451 3.125 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000422635971 309363293 /nfs/dbraw/zinc/36/32/93/309363293.db2.gz MGOBCLROCVPKTH-VNHYZAJKSA-N 2 0 348.878 3.238 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422691768 309363431 /nfs/dbraw/zinc/36/34/31/309363431.db2.gz IYCWKBXJROXHCZ-CABCVRRESA-N 2 0 329.444 3.488 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422711404 309364197 /nfs/dbraw/zinc/36/41/97/309364197.db2.gz MRDTURCSIBFLLN-ZIAGYGMSSA-N 2 0 340.309 3.135 20 0 EGADRP CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422719296 309364829 /nfs/dbraw/zinc/36/48/29/309364829.db2.gz YJHBBBULCOWZFE-MJGOQNOKSA-N 2 0 346.515 3.309 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000422730864 309365597 /nfs/dbraw/zinc/36/55/97/309365597.db2.gz KPNTWKWTUAQVGA-VLCRHTCISA-N 2 0 337.511 3.372 20 0 EGADRP C[C@@H]([NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C)C1C[NH2+]C1 ZINC000422743452 309366288 /nfs/dbraw/zinc/36/62/88/309366288.db2.gz RIOOJYOYVJLJAY-IQMDTDKHSA-N 2 0 341.318 3.430 20 0 EGADRP CC(C)c1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422753998 309366673 /nfs/dbraw/zinc/36/66/73/309366673.db2.gz FQAGSIDCVDFMSU-PWRODBHTSA-N 2 0 330.516 3.489 20 0 EGADRP Fc1ccccc1OCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422756025 309366820 /nfs/dbraw/zinc/36/68/20/309366820.db2.gz KYOUHRAMDDEGLH-YLJYHZDGSA-N 2 0 342.414 3.050 20 0 EGADRP COc1ccccc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422765683 309367142 /nfs/dbraw/zinc/36/71/42/309367142.db2.gz QOMLOXZJIDNPFK-WIYYLYMNSA-N 2 0 338.451 3.083 20 0 EGADRP C[C@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422793606 309368713 /nfs/dbraw/zinc/36/87/13/309368713.db2.gz XBRJGBGLAKWCOU-HNAYVOBHSA-N 2 0 335.923 3.425 20 0 EGADRP CCC(CC)(CCO)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422807242 309369383 /nfs/dbraw/zinc/36/93/83/309369383.db2.gz JNONZKVYZGAMRG-FXAWDEMLSA-N 2 0 332.488 3.021 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422812277 309369707 /nfs/dbraw/zinc/36/97/07/309369707.db2.gz WCZHHEPLUQTJOU-CLAROIROSA-N 2 0 341.543 3.334 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422812275 309369839 /nfs/dbraw/zinc/36/98/39/309369839.db2.gz WCALMHXBEJGNNV-QHAWAJNXSA-N 3 0 327.516 3.293 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000422813372 309369964 /nfs/dbraw/zinc/36/99/64/309369964.db2.gz RRASIZGJKAAKJD-LSDHHAIUSA-N 2 0 335.455 3.446 20 0 EGADRP CCC(CC)[C@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)[NH+]1CCCC1 ZINC000422818202 309370071 /nfs/dbraw/zinc/37/00/71/309370071.db2.gz JTBKEXKTTZQTDA-QRWLVFNGSA-N 2 0 332.536 3.400 20 0 EGADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422819392 309370199 /nfs/dbraw/zinc/37/01/99/309370199.db2.gz NASCZPKOQOMXHD-PWRODBHTSA-N 2 0 338.499 3.315 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c(OC2CCCC2)c1 ZINC000422825486 309370582 /nfs/dbraw/zinc/37/05/82/309370582.db2.gz PRSQCUCBMMZLDK-KXBFYZLASA-N 2 0 332.488 3.494 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(OC2CCCC2)c1 ZINC000422825484 309370584 /nfs/dbraw/zinc/37/05/84/309370584.db2.gz PRSQCUCBMMZLDK-DNVCBOLYSA-N 2 0 332.488 3.494 20 0 EGADRP c1ccc([C@H]2C[C@@H](NC3CC[NH+](C4CCCC4)CC3)CC[NH2+]2)cc1 ZINC000422838545 309371099 /nfs/dbraw/zinc/37/10/99/309371099.db2.gz OSHPXQSIDIUBKS-PZJWPPBQSA-N 2 0 327.516 3.476 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422836561 309371210 /nfs/dbraw/zinc/37/12/10/309371210.db2.gz KIDBJHYRVKNRHI-QSFXBCCZSA-N 2 0 343.902 3.467 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Oc1ccccc1Br ZINC000422839786 309371305 /nfs/dbraw/zinc/37/13/05/309371305.db2.gz RHNCUCLREDEFAT-SNPRPXQTSA-N 2 0 341.293 3.466 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422841882 309371327 /nfs/dbraw/zinc/37/13/27/309371327.db2.gz XARKDQAGEKJLNL-WIYYLYMNSA-N 3 0 331.548 3.293 20 0 EGADRP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422842565 309371555 /nfs/dbraw/zinc/37/15/55/309371555.db2.gz FYHSKXYOTULMLM-DZUCGIPZSA-N 2 0 336.476 3.109 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422872532 309373103 /nfs/dbraw/zinc/37/31/03/309373103.db2.gz HMMUVKCSPJDRBG-GPHNJDIKSA-N 2 0 337.511 3.198 20 0 EGADRP CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1OC(F)F ZINC000422878672 309373434 /nfs/dbraw/zinc/37/34/34/309373434.db2.gz UBYJHQJBPJQDLB-JSGCOSHPSA-N 2 0 328.403 3.294 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422883043 309373795 /nfs/dbraw/zinc/37/37/95/309373795.db2.gz UDEYGHRJLUWLDT-SLFFLAALSA-N 2 0 346.490 3.384 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000422898120 309374939 /nfs/dbraw/zinc/37/49/39/309374939.db2.gz LFKDDBMLMFCUHZ-IEBWSBKVSA-N 3 0 333.520 3.027 20 0 EGADRP CCc1nc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422901962 309375156 /nfs/dbraw/zinc/37/51/56/309375156.db2.gz LZNRNCRMBAJRLR-LPHOPBHVSA-N 2 0 343.496 3.094 20 0 EGADRP CCc1nc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422901963 309375195 /nfs/dbraw/zinc/37/51/95/309375195.db2.gz LZNRNCRMBAJRLR-QFBILLFUSA-N 2 0 343.496 3.094 20 0 EGADRP CCOc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422905451 309375466 /nfs/dbraw/zinc/37/54/66/309375466.db2.gz SDXKMKPRBREVIQ-FPOVZHCZSA-N 2 0 338.451 3.431 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422905732 309375622 /nfs/dbraw/zinc/37/56/22/309375622.db2.gz SOPLXQQCTAVYHQ-CYBMUJFWSA-N 2 0 339.418 3.024 20 0 EGADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422908138 309375673 /nfs/dbraw/zinc/37/56/73/309375673.db2.gz YGANMYJZNADZHN-IXDOHACOSA-N 2 0 332.419 3.127 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422912855 309375743 /nfs/dbraw/zinc/37/57/43/309375743.db2.gz XBSGEGWBGSMYLV-CZUORRHYSA-N 2 0 327.875 3.161 20 0 EGADRP COc1ccc(C[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccccc2)cc1OC ZINC000422910905 309375809 /nfs/dbraw/zinc/37/58/09/309375809.db2.gz RUVHVJMRJCJYLY-HNAYVOBHSA-N 2 0 340.467 3.185 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422936997 309376929 /nfs/dbraw/zinc/37/69/29/309376929.db2.gz NKVCUWXIKRRFNV-LSDHHAIUSA-N 2 0 329.257 3.380 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1OC1CCCC1 ZINC000422940880 309377365 /nfs/dbraw/zinc/37/73/65/309377365.db2.gz NQJPXKVFWQBALR-MAUKXSAKSA-N 2 0 332.488 3.494 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422967303 309378758 /nfs/dbraw/zinc/37/87/58/309378758.db2.gz OWDURXTXOVBOTK-WCRBZPEASA-N 3 0 327.516 3.291 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422967117 309378788 /nfs/dbraw/zinc/37/87/88/309378788.db2.gz SLKYRKDLNYAUAD-PMACEKPBSA-N 2 0 326.488 3.363 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000422980403 309379244 /nfs/dbraw/zinc/37/92/44/309379244.db2.gz PJJFLEZJWMPCEV-UBDQQSCGSA-N 2 0 340.458 3.124 20 0 EGADRP CSc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000422986947 309379688 /nfs/dbraw/zinc/37/96/88/309379688.db2.gz HPJXVCRKMHFMKT-VQIMIIECSA-N 2 0 341.480 3.149 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1Br ZINC000422993331 309379925 /nfs/dbraw/zinc/37/99/25/309379925.db2.gz FMMKMKXIKGREQG-DOMZBBRYSA-N 2 0 325.294 3.444 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccccc32)CC[NH2+]CC1 ZINC000422993736 309379971 /nfs/dbraw/zinc/37/99/71/309379971.db2.gz UEMLNPLPLXFAOB-QAPCUYQASA-N 2 0 344.499 3.320 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423003012 309380400 /nfs/dbraw/zinc/38/04/00/309380400.db2.gz KNKORODQQWWIMV-QIJZPMMNSA-N 2 0 329.532 3.407 20 0 EGADRP [NH3+]CC1CCC([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC1 ZINC000423003739 309380472 /nfs/dbraw/zinc/38/04/72/309380472.db2.gz NHPVRXYUNIRNHS-UHFFFAOYSA-N 2 0 330.394 3.373 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000423011398 309380856 /nfs/dbraw/zinc/38/08/56/309380856.db2.gz ZKUFVMQLQDFYOG-OKZBNKHCSA-N 2 0 325.456 3.254 20 0 EGADRP COC1CCC(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423038204 309382481 /nfs/dbraw/zinc/38/24/81/309382481.db2.gz NZGFQLYEDNCYPV-NTFRLBIZSA-N 2 0 344.499 3.427 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423037148 309382487 /nfs/dbraw/zinc/38/24/87/309382487.db2.gz BEZGQEZAIWFBCC-JLZZUVOBSA-N 2 0 325.859 3.307 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423047493 309383112 /nfs/dbraw/zinc/38/31/12/309383112.db2.gz HESLUCRRUNZTCX-ZOWXZIJZSA-N 2 0 328.859 3.099 20 0 EGADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423050985 309383190 /nfs/dbraw/zinc/38/31/90/309383190.db2.gz MQHAPOXRNARKRI-JYAXBFRTSA-N 2 0 344.499 3.426 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423063592 309384010 /nfs/dbraw/zinc/38/40/10/309384010.db2.gz PGUWVGRIJULQIV-ZBFHGGJFSA-N 2 0 335.458 3.161 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423068482 309384297 /nfs/dbraw/zinc/38/42/97/309384297.db2.gz JZODNJQENOBJCZ-RISCZKNCSA-N 2 0 344.286 3.206 20 0 EGADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077203 309384701 /nfs/dbraw/zinc/38/47/01/309384701.db2.gz LNQUXYFMZRMTGG-URZNZNTCSA-N 2 0 330.516 3.127 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423081395 309384947 /nfs/dbraw/zinc/38/49/47/309384947.db2.gz BOMONRAYDHGVKP-OXQOHEQNSA-N 2 0 340.515 3.475 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCn2cc(Br)cn2)c2ccccc21 ZINC000423088609 309385451 /nfs/dbraw/zinc/38/54/51/309385451.db2.gz SJIAGMFZCWQWHV-HOTGVXAUSA-N 2 0 349.276 3.160 20 0 EGADRP CC1(C)[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423171272 309388977 /nfs/dbraw/zinc/38/89/77/309388977.db2.gz NVSDEVMTTWUJMI-OMZCGLGVSA-N 2 0 328.500 3.173 20 0 EGADRP COCC1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423174412 309389247 /nfs/dbraw/zinc/38/92/47/309389247.db2.gz CAXWWWOKACDCKW-CCJHYTBNSA-N 2 0 330.472 3.037 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423249777 309392369 /nfs/dbraw/zinc/39/23/69/309392369.db2.gz UBLQKDJCEBJHNP-ZLGUVYLKSA-N 2 0 325.500 3.358 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423266583 309393181 /nfs/dbraw/zinc/39/31/81/309393181.db2.gz DJWNQMTYJUDMQK-IPELMVKDSA-N 2 0 330.472 3.148 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423269920 309393325 /nfs/dbraw/zinc/39/33/25/309393325.db2.gz HJDGDYCMDVJUFT-HRAATJIYSA-N 2 0 342.483 3.433 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423274301 309393596 /nfs/dbraw/zinc/39/35/96/309393596.db2.gz LUNJRWCQHGRFGC-ZIBCJSCZSA-N 3 0 329.532 3.122 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423279624 309393787 /nfs/dbraw/zinc/39/37/87/309393787.db2.gz RSCHGKPSWQUWQF-KVSKMBFKSA-N 2 0 342.487 3.167 20 0 EGADRP [NH3+]CCCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423315064 309394860 /nfs/dbraw/zinc/39/48/60/309394860.db2.gz AJCBNDQUPOJRQI-MRXNPFEDSA-N 2 0 341.293 3.245 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000423326445 309395292 /nfs/dbraw/zinc/39/52/92/309395292.db2.gz KNDPSQXMMYNPMQ-SJKOYZFVSA-N 2 0 328.403 3.337 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000423340779 309396183 /nfs/dbraw/zinc/39/61/83/309396183.db2.gz UAPPKYWZIVBSNN-UWVAXJGDSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000423340777 309396205 /nfs/dbraw/zinc/39/62/05/309396205.db2.gz UAPPKYWZIVBSNN-HLIPFELVSA-N 2 0 343.515 3.065 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCCC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423351067 309396675 /nfs/dbraw/zinc/39/66/75/309396675.db2.gz HKAHRHBTSIJWEK-YPAWHYETSA-N 3 0 339.527 3.187 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000423356112 309396867 /nfs/dbraw/zinc/39/68/67/309396867.db2.gz PZEHMNVUJSECEV-LPHOPBHVSA-N 2 0 331.504 3.273 20 0 EGADRP C[C@H]1CC[NH2+][C@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000423356506 309396877 /nfs/dbraw/zinc/39/68/77/309396877.db2.gz KAKUTIBWPWRQCI-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423373498 309397531 /nfs/dbraw/zinc/39/75/31/309397531.db2.gz HPXUFTMBDGIPGL-MAUKXSAKSA-N 2 0 349.544 3.102 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423373499 309397673 /nfs/dbraw/zinc/39/76/73/309397673.db2.gz HPXUFTMBDGIPGL-QAPCUYQASA-N 2 0 349.544 3.102 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000423380926 309397898 /nfs/dbraw/zinc/39/78/98/309397898.db2.gz DYXOGISBXQRZMM-CYBMUJFWSA-N 2 0 330.394 3.372 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423386146 309398245 /nfs/dbraw/zinc/39/82/45/309398245.db2.gz RISCHNHGNBWIQX-VQTJNVASSA-N 2 0 349.563 3.399 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423417833 309399555 /nfs/dbraw/zinc/39/95/55/309399555.db2.gz TVOARNUDWCGDJE-RBUKOAKNSA-N 2 0 343.515 3.093 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423416701 309399567 /nfs/dbraw/zinc/39/95/67/309399567.db2.gz DETODHZSQHOLAH-IWFBPKFRSA-N 3 0 329.532 3.252 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423416699 309399570 /nfs/dbraw/zinc/39/95/70/309399570.db2.gz DETODHZSQHOLAH-ANTGDGSKSA-N 3 0 329.532 3.252 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423427521 309400114 /nfs/dbraw/zinc/40/01/14/309400114.db2.gz FUYKFOBJULMKJH-YHJVDBJQSA-N 2 0 342.462 3.359 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423458238 309401033 /nfs/dbraw/zinc/40/10/33/309401033.db2.gz PVQXUYSFEKBCDO-SCTDSRPQSA-N 2 0 349.906 3.028 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423461233 309401131 /nfs/dbraw/zinc/40/11/31/309401131.db2.gz NSXNSOGPGUZSCA-DUVNUKRYSA-N 2 0 347.894 3.397 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423474344 309401618 /nfs/dbraw/zinc/40/16/18/309401618.db2.gz HFARCNJHCCOHHE-CABCVRRESA-N 2 0 334.460 3.264 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423489110 309402530 /nfs/dbraw/zinc/40/25/30/309402530.db2.gz WAYFOBVFFNQPHD-ATZDWAIDSA-N 2 0 330.472 3.290 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1OC(F)F ZINC000423539410 309405689 /nfs/dbraw/zinc/40/56/89/309405689.db2.gz IGASPCLBAUWWDG-KZVDOYCCSA-N 2 0 328.378 3.466 20 0 EGADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423538332 309405693 /nfs/dbraw/zinc/40/56/93/309405693.db2.gz GDDJOZILZWHHOM-MLYOOKFZSA-N 2 0 326.484 3.367 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cccnc2)c(F)c1 ZINC000423551200 309406101 /nfs/dbraw/zinc/40/61/01/309406101.db2.gz UDTFELXIECTECA-BQCJVYABSA-N 2 0 343.421 3.427 20 0 EGADRP CC(C)CC(C)(C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017383 309425546 /nfs/dbraw/zinc/42/55/46/309425546.db2.gz GRITXOACHBPQSA-UHFFFAOYSA-N 2 0 345.531 3.168 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430922449 309621126 /nfs/dbraw/zinc/62/11/26/309621126.db2.gz ALHMUXRQLRCRLU-LSDHHAIUSA-N 2 0 325.456 3.226 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000430928503 309621309 /nfs/dbraw/zinc/62/13/09/309621309.db2.gz UGJUHDIZRZFLGV-KKUMJFAQSA-N 2 0 343.471 3.058 20 0 EGADRP COc1ccccc1-c1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1 ZINC000430933897 309621521 /nfs/dbraw/zinc/62/15/21/309621521.db2.gz KABNXYPVHLLRGA-CYBMUJFWSA-N 2 0 331.485 3.378 20 0 EGADRP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431034499 309623979 /nfs/dbraw/zinc/62/39/79/309623979.db2.gz OMJCMHSPGOPMDR-PKOBYXMFSA-N 2 0 343.515 3.108 20 0 EGADRP Clc1ccc(-c2noc(CC[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000431043770 309624312 /nfs/dbraw/zinc/62/43/12/309624312.db2.gz SFCHFGQQGFCBKL-UHFFFAOYSA-N 2 0 346.862 3.008 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000443639855 309905487 /nfs/dbraw/zinc/90/54/87/309905487.db2.gz LVGCASROZPRULR-PZJWPPBQSA-N 2 0 333.564 3.469 20 0 EGADRP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000449163224 310041362 /nfs/dbraw/zinc/04/13/62/310041362.db2.gz VMAXABKTRXTTGX-LSDHHAIUSA-N 2 0 338.442 3.159 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000449175978 310042391 /nfs/dbraw/zinc/04/23/91/310042391.db2.gz PNOXQVRRRGACHP-KRWDZBQOSA-N 2 0 331.504 3.288 20 0 EGADRP CC(C)COc1ccccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000449192067 310043516 /nfs/dbraw/zinc/04/35/16/310043516.db2.gz QHJFJHSIYNVKFE-UHFFFAOYSA-N 2 0 334.504 3.046 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCn2cnnc2C2CC2)CC1 ZINC000449226292 310045886 /nfs/dbraw/zinc/04/58/86/310045886.db2.gz QQIDSMZICLSGCE-UHFFFAOYSA-N 2 0 347.551 3.424 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449227006 310045945 /nfs/dbraw/zinc/04/59/45/310045945.db2.gz ZDFWOVSJDGGPAM-SFHVURJKSA-N 2 0 330.472 3.295 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449236720 310046798 /nfs/dbraw/zinc/04/67/98/310046798.db2.gz ZDLPPAZJRSZJPF-FQEVSTJZSA-N 2 0 336.435 3.289 20 0 EGADRP CCn1nnc(C)c1C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000449323704 310053681 /nfs/dbraw/zinc/05/36/81/310053681.db2.gz AQYNPROTTPQWHJ-UHFFFAOYSA-N 2 0 335.540 3.186 20 0 EGADRP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449409463 310059523 /nfs/dbraw/zinc/05/95/23/310059523.db2.gz UASMZDJDADBOCU-XUVXKRRUSA-N 2 0 330.516 3.285 20 0 EGADRP CO[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000449499865 310067186 /nfs/dbraw/zinc/06/71/86/310067186.db2.gz MKVCAKPSTGMTAN-UWJYYQICSA-N 2 0 345.531 3.074 20 0 EGADRP CN(c1ccccc1C[NH2+]CC(C)(C)C(C)(C)O)C1CC[NH+](C)CC1 ZINC000449727556 310082795 /nfs/dbraw/zinc/08/27/95/310082795.db2.gz QNSRWAJNMCMLDF-UHFFFAOYSA-N 2 0 347.547 3.104 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000449738988 310083422 /nfs/dbraw/zinc/08/34/22/310083422.db2.gz HRRPJBISWQDTDP-DOIPELPJSA-N 2 0 328.500 3.038 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449816594 310088877 /nfs/dbraw/zinc/08/88/77/310088877.db2.gz YMOGCOCVOAXEMR-IEBWSBKVSA-N 2 0 337.552 3.410 20 0 EGADRP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449832998 310089646 /nfs/dbraw/zinc/08/96/46/310089646.db2.gz FITRVKLOCIUDNG-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)cc[nH+]1 ZINC000450341195 310116526 /nfs/dbraw/zinc/11/65/26/310116526.db2.gz IQYZILJTMVFCDT-UHFFFAOYSA-N 2 0 325.456 3.281 20 0 EGADRP CCC[NH+]1CCC(N(C)Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000450469984 310124543 /nfs/dbraw/zinc/12/45/43/310124543.db2.gz SFZBOEAODBQBKD-UHFFFAOYSA-N 2 0 338.879 3.433 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)CO2 ZINC000453058719 310254804 /nfs/dbraw/zinc/25/48/04/310254804.db2.gz LLTUPBACBBWSGM-FUHWJXTLSA-N 2 0 332.488 3.243 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453092297 310257415 /nfs/dbraw/zinc/25/74/15/310257415.db2.gz DJGKEGDYIWFMPM-LJQANCHMSA-N 2 0 336.907 3.475 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453110566 310258685 /nfs/dbraw/zinc/25/86/85/310258685.db2.gz QKBPHSQRUVJJQV-PSWRPDDJSA-N 2 0 339.527 3.256 20 0 EGADRP O[C@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CCN(Cc2ccccc2)C1 ZINC000453113464 310258836 /nfs/dbraw/zinc/25/88/36/310258836.db2.gz DZXQTXFJRANCJO-SFTDATJTSA-N 2 0 328.500 3.182 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000453335680 310271613 /nfs/dbraw/zinc/27/16/13/310271613.db2.gz IXRHTBKFTXHMPQ-PCCBWWKXSA-N 2 0 342.527 3.429 20 0 EGADRP Cn1cc([C@@H]([NH2+]CCCC[N@H+](C)C2CC2)c2cccc(F)c2)cn1 ZINC000453393217 310274386 /nfs/dbraw/zinc/27/43/86/310274386.db2.gz FOVQBLHSHJEVCJ-IBGZPJMESA-N 2 0 330.451 3.113 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000453588107 310283221 /nfs/dbraw/zinc/28/32/21/310283221.db2.gz YELFJEODTLDYGM-GOSISDBHSA-N 2 0 345.531 3.123 20 0 EGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455912347 310382026 /nfs/dbraw/zinc/38/20/26/310382026.db2.gz JEWIJWGOOBZKMB-RBUKOAKNSA-N 2 0 344.503 3.039 20 0 EGADRP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000474632827 310797069 /nfs/dbraw/zinc/79/70/69/310797069.db2.gz RHRNMCDICDUKRL-PKOBYXMFSA-N 2 0 330.520 3.138 20 0 EGADRP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000474730487 310798522 /nfs/dbraw/zinc/79/85/22/310798522.db2.gz YWRITLDDXFUDFH-AZUAARDMSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000481009449 310904287 /nfs/dbraw/zinc/90/42/87/310904287.db2.gz BDDGBLLETVBVKE-RBUKOAKNSA-N 2 0 338.923 3.344 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cscc2C)CC1 ZINC000487175804 311013708 /nfs/dbraw/zinc/01/37/08/311013708.db2.gz VSVAPRAUIQPHRO-UHFFFAOYSA-N 2 0 329.513 3.488 20 0 EGADRP Fc1ccc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)[nH]c2c1 ZINC000488303659 311060017 /nfs/dbraw/zinc/06/00/17/311060017.db2.gz BJOAPJCWGBVPBN-UHFFFAOYSA-N 2 0 345.462 3.384 20 0 EGADRP C[C@H]1C[C@H](CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)C1 ZINC000490696995 311149402 /nfs/dbraw/zinc/14/94/02/311149402.db2.gz KLYGAIRGQMGVFU-TXVWBRJLSA-N 2 0 335.580 3.407 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000494555425 311489103 /nfs/dbraw/zinc/48/91/03/311489103.db2.gz QRNQZHSUKDVRQY-CABCVRRESA-N 2 0 339.524 3.285 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495688434 311596633 /nfs/dbraw/zinc/59/66/33/311596633.db2.gz OMQQHSPNTIEDOO-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000495818258 311616259 /nfs/dbraw/zinc/61/62/59/311616259.db2.gz QJKBNABHOXSHFE-GMRIPVOYSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000497155972 311827229 /nfs/dbraw/zinc/82/72/29/311827229.db2.gz UFVZYTFXRZVVAG-NVXWUHKLSA-N 2 0 331.460 3.044 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000497243890 311842871 /nfs/dbraw/zinc/84/28/71/311842871.db2.gz HLNIJAIUTPQLAR-OAHLLOKOSA-N 2 0 331.460 3.026 20 0 EGADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505611623 312028151 /nfs/dbraw/zinc/02/81/51/312028151.db2.gz MBDBIONPGHCWJU-IEBWSBKVSA-N 2 0 345.531 3.216 20 0 EGADRP C[C@H](NCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700771 312100156 /nfs/dbraw/zinc/10/01/56/312100156.db2.gz UZWCGCSTTOIYMZ-FPOVZHCZSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000508878913 312104546 /nfs/dbraw/zinc/10/45/46/312104546.db2.gz OCONVWUASJRTJA-PGRDOPGGSA-N 2 0 341.543 3.412 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508901452 312105753 /nfs/dbraw/zinc/10/57/53/312105753.db2.gz YVXKNMVOBQOXBZ-MJGOQNOKSA-N 2 0 348.535 3.051 20 0 EGADRP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC1CCCCC1 ZINC000511569019 312163033 /nfs/dbraw/zinc/16/30/33/312163033.db2.gz BVEGKGMYCUBESG-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CCOc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512580496 312189466 /nfs/dbraw/zinc/18/94/66/312189466.db2.gz BGRIGCPCXKVVGB-PBWFPOADSA-N 2 0 326.843 3.415 20 0 EGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000516181402 312313281 /nfs/dbraw/zinc/31/32/81/312313281.db2.gz DXKBKQYBLJXUCR-HUUCEWRRSA-N 2 0 341.455 3.163 20 0 EGADRP Clc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000517948623 312399396 /nfs/dbraw/zinc/39/93/96/312399396.db2.gz WZZNUXFXVLREQP-FQEVSTJZSA-N 2 0 341.886 3.132 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccncc2Cl)cc1 ZINC000527655645 312900457 /nfs/dbraw/zinc/90/04/57/312900457.db2.gz LPUOPEPGQQJDFT-UHFFFAOYSA-N 2 0 333.863 3.008 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000534939010 314007015 /nfs/dbraw/zinc/00/70/15/314007015.db2.gz YVAOCCLUKWOXSQ-UHFFFAOYSA-N 2 0 331.548 3.442 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)c1ccccc1 ZINC000536842590 314149047 /nfs/dbraw/zinc/14/90/47/314149047.db2.gz AAYZYPKBCMIWOK-QGZVFWFLSA-N 2 0 341.499 3.478 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000537606979 314194860 /nfs/dbraw/zinc/19/48/60/314194860.db2.gz WDQLRUIVTDPPLM-UHFFFAOYSA-N 2 0 337.511 3.393 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC(=O)Nc2ccccn2)CC1 ZINC000538615740 314259038 /nfs/dbraw/zinc/25/90/38/314259038.db2.gz UTZRDBVXEZHQOF-FUHWJXTLSA-N 2 0 344.503 3.043 20 0 EGADRP COc1ccccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538763099 314274287 /nfs/dbraw/zinc/27/42/87/314274287.db2.gz GFKATCIUNPMGFV-HDICACEKSA-N 2 0 346.515 3.407 20 0 EGADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539075858 314294500 /nfs/dbraw/zinc/29/45/00/314294500.db2.gz NCFDGHWZRUVUPQ-VQTJNVASSA-N 2 0 345.531 3.282 20 0 EGADRP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000540593812 314390403 /nfs/dbraw/zinc/39/04/03/314390403.db2.gz QTPPKCDYFAIBFV-HNNXBMFYSA-N 2 0 330.472 3.411 20 0 EGADRP C[C@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000541667654 314478319 /nfs/dbraw/zinc/47/83/19/314478319.db2.gz VGXGALJQWRDUAA-LJQANCHMSA-N 2 0 329.532 3.140 20 0 EGADRP CCC(CC)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000548442097 315009645 /nfs/dbraw/zinc/00/96/45/315009645.db2.gz GORIZTOGBDYZGE-LJQANCHMSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548717053 315038957 /nfs/dbraw/zinc/03/89/57/315038957.db2.gz JOBCSSVVXOFPDP-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000549097388 315075158 /nfs/dbraw/zinc/07/51/58/315075158.db2.gz PZPUNBWHMBOZLN-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000550896057 315137232 /nfs/dbraw/zinc/13/72/32/315137232.db2.gz VWFYBAXYIUKDDB-XRXFAXGQSA-N 2 0 328.500 3.302 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CCCC[NH+](C)C)c2ccccc2)CC1 ZINC000560602039 315711883 /nfs/dbraw/zinc/71/18/83/315711883.db2.gz SQADHIFEWHWJSQ-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1nn2c(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)c(C(C)C)nc2s1 ZINC000560971241 315732696 /nfs/dbraw/zinc/73/26/96/315732696.db2.gz ZBGHEQLUODVFBE-HDJSIYSDSA-N 2 0 335.521 3.077 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000562751921 315894142 /nfs/dbraw/zinc/89/41/42/315894142.db2.gz XZMMLVUJPDZIIX-QUCCMNQESA-N 2 0 332.488 3.194 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cc2s1 ZINC000563462283 316026120 /nfs/dbraw/zinc/02/61/20/316026120.db2.gz VVPNRAHXPMJVFL-FUHWJXTLSA-N 2 0 345.512 3.323 20 0 EGADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000563842197 316077402 /nfs/dbraw/zinc/07/74/02/316077402.db2.gz OJXJKTYWVJWMJE-HKBOAZHASA-N 2 0 330.516 3.237 20 0 EGADRP Cc1nc(-c2cc([C@H](C)[NH2+]CCOCC[NH+](C)C)cs2)cs1 ZINC000564773995 316201976 /nfs/dbraw/zinc/20/19/76/316201976.db2.gz LMYYEXNUPIDDJU-LBPRGKRZSA-N 2 0 339.530 3.409 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc21 ZINC000565039822 316254226 /nfs/dbraw/zinc/25/42/26/316254226.db2.gz BKYRDLHPUDCYHQ-WMZOPIPTSA-N 2 0 342.487 3.049 20 0 EGADRP Clc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565093073 316263910 /nfs/dbraw/zinc/26/39/10/316263910.db2.gz JEPUNKNLZRLNDL-HXUWFJFHSA-N 2 0 341.886 3.132 20 0 EGADRP O[C@@H](CCc1ccccc1)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000565594044 316344437 /nfs/dbraw/zinc/34/44/37/316344437.db2.gz OPWMXIPKTYAGLJ-QFIPXVFZSA-N 2 0 338.495 3.366 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2n[nH]cc2c1 ZINC000566088587 316414036 /nfs/dbraw/zinc/41/40/36/316414036.db2.gz FMPSZGDJWSPWGE-ZKYUUJBMSA-N 2 0 348.450 3.469 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566092276 316414909 /nfs/dbraw/zinc/41/49/09/316414909.db2.gz XXEWLQLZSNEYEZ-UMPJEAMMSA-N 2 0 335.879 3.035 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)CN1CC[NH+](C)CC1 ZINC000567423914 316615378 /nfs/dbraw/zinc/61/53/78/316615378.db2.gz IHDBXCXTEPZVTL-UXHICEINSA-N 2 0 343.559 3.360 20 0 EGADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000570153530 317015036 /nfs/dbraw/zinc/01/50/36/317015036.db2.gz LPRWLHKCPJHSPQ-NQERJWCQSA-N 2 0 336.483 3.341 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000570642520 317086440 /nfs/dbraw/zinc/08/64/40/317086440.db2.gz VMLMYQFQSDTQBG-UNEWFSDZSA-N 2 0 344.421 3.244 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000570714017 317097709 /nfs/dbraw/zinc/09/77/09/317097709.db2.gz FIFBMCIDQUFUEZ-ZCNNSNEGSA-N 2 0 343.515 3.156 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1)CC(C)C ZINC000572047358 317283638 /nfs/dbraw/zinc/28/36/38/317283638.db2.gz DGVRYFQEXZJXNM-UHFFFAOYSA-N 2 0 349.519 3.381 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1)CC1CCCCC1 ZINC000574564451 317612083 /nfs/dbraw/zinc/61/20/83/317612083.db2.gz KVAGWQFDIYDDJF-UXHICEINSA-N 2 0 343.515 3.237 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000171305843 323229018 /nfs/dbraw/zinc/22/90/18/323229018.db2.gz HXLHBJREXBJNQA-IAGOWNOFSA-N 2 0 332.488 3.016 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccoc3)cc2)CC1 ZINC000178132973 323351722 /nfs/dbraw/zinc/35/17/22/323351722.db2.gz WXQNOBLPFOHKPZ-QGZVFWFLSA-N 2 0 327.472 3.268 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000182141072 323528511 /nfs/dbraw/zinc/52/85/11/323528511.db2.gz INICBGMSOHEUBW-QGZVFWFLSA-N 2 0 345.531 3.261 20 0 EGADRP C[C@H](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379643152 324240214 /nfs/dbraw/zinc/24/02/14/324240214.db2.gz FLYOXXUSSQTRBV-PMXSJFBMSA-N 2 0 329.532 3.407 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000382749219 324252688 /nfs/dbraw/zinc/25/26/88/324252688.db2.gz YOFLFDQSTYTUQL-YZGWKJHDSA-N 2 0 343.515 3.017 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000282697618 456595566 /nfs/dbraw/zinc/59/55/66/456595566.db2.gz ONZXVCCOKBWGDD-UHFFFAOYSA-N 2 0 329.941 3.249 20 0 EGADRP [NH3+]CCC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000316203903 456613535 /nfs/dbraw/zinc/61/35/35/456613535.db2.gz MSKJLMABSOPWMU-UHFFFAOYSA-N 2 0 344.286 3.383 20 0 EGADRP CSc1cc(Br)ccc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000578903682 325035152 /nfs/dbraw/zinc/03/51/52/325035152.db2.gz RWAYEEMZWRAJFH-GWCFXTLKSA-N 2 0 329.307 3.483 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccn2c(C)cnc2c1)c1ccco1 ZINC000579001196 325048896 /nfs/dbraw/zinc/04/88/96/325048896.db2.gz IIPHJOVSHNOMIE-INIZCTEOSA-N 2 0 340.427 3.049 20 0 EGADRP C[C@@H](CC[NH2+]C[C@@H](O)CN(C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222259 325078886 /nfs/dbraw/zinc/07/88/86/325078886.db2.gz GFAXRHGIRZABNX-SUMWQHHRSA-N 2 0 344.421 3.244 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000579254483 325085553 /nfs/dbraw/zinc/08/55/53/325085553.db2.gz KZBAOYYEGZAREC-FXAWDEMLSA-N 2 0 326.484 3.109 20 0 EGADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3COc4ccccc43)CC2)cc1 ZINC000579758886 325154987 /nfs/dbraw/zinc/15/49/87/325154987.db2.gz PHHUENLNSSMFMF-IBGZPJMESA-N 2 0 336.479 3.459 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000579958516 325182712 /nfs/dbraw/zinc/18/27/12/325182712.db2.gz HWLKJSVLKWPSBQ-SJORKVTESA-N 2 0 349.482 3.209 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000580567668 325268664 /nfs/dbraw/zinc/26/86/64/325268664.db2.gz HOKUTWDAZBDPPX-RTBURBONSA-N 2 0 331.504 3.051 20 0 EGADRP FC(F)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580895687 325306987 /nfs/dbraw/zinc/30/69/87/325306987.db2.gz MLQPIAMBHYXUMJ-UONOGXRCSA-N 2 0 334.414 3.253 20 0 EGADRP COCC1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CC[NH2+]CC1 ZINC000581654800 325379873 /nfs/dbraw/zinc/37/98/73/325379873.db2.gz OGWDHLIHDYJWNV-UHFFFAOYSA-N 2 0 337.533 3.297 20 0 EGADRP [NH3+]CCC[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000583683226 325543276 /nfs/dbraw/zinc/54/32/76/325543276.db2.gz YPNKJYQYZMRJFO-RBUKOAKNSA-N 2 0 325.456 3.063 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CCC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000237877332 455227760 /nfs/dbraw/zinc/22/77/60/455227760.db2.gz FYRPOGVKBWHBLU-HXUWFJFHSA-N 2 0 343.515 3.028 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C ZINC000180707438 455231404 /nfs/dbraw/zinc/23/14/04/455231404.db2.gz BFOVVUUFIPVNES-SWLSCSKDSA-N 2 0 334.851 3.005 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)c2cccc(Br)c21 ZINC000447598298 458319080 /nfs/dbraw/zinc/31/90/80/458319080.db2.gz UYFNXQNCFFSDGI-WFASDCNBSA-N 2 0 341.293 3.165 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Cl)c1OC ZINC000459740977 458464501 /nfs/dbraw/zinc/46/45/01/458464501.db2.gz UTHYQGFINQHOND-CYBMUJFWSA-N 2 0 326.868 3.179 20 0 EGADRP O=C(CCC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000237960265 455238588 /nfs/dbraw/zinc/23/85/88/455238588.db2.gz DMPWHQAQPVKSHK-UHFFFAOYSA-N 2 0 343.515 3.069 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183142961 455238341 /nfs/dbraw/zinc/23/83/41/455238341.db2.gz SKPGUEGSSUGADX-CYBMUJFWSA-N 2 0 330.398 3.023 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183184773 455246491 /nfs/dbraw/zinc/24/64/91/455246491.db2.gz YULRGIMLWWNZHB-SXLOBPIMSA-N 2 0 330.516 3.487 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000183228133 455255033 /nfs/dbraw/zinc/25/50/33/455255033.db2.gz AVMIXMMSGHTHDS-LJQANCHMSA-N 2 0 341.455 3.046 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183705607 455323057 /nfs/dbraw/zinc/32/30/57/455323057.db2.gz GTTONBBRYXVHAQ-GPANFISMSA-N 2 0 336.442 3.182 20 0 EGADRP CC(C)Oc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158960689 455340812 /nfs/dbraw/zinc/34/08/12/455340812.db2.gz SZDJJMRMDBWRCP-HKUYNNGSSA-N 2 0 334.504 3.217 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000158959292 455340851 /nfs/dbraw/zinc/34/08/51/455340851.db2.gz FUDRINUGCCLDDX-QGZVFWFLSA-N 2 0 343.515 3.262 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000008577259 453218255 /nfs/dbraw/zinc/21/82/55/453218255.db2.gz SVCRUWSXVJFCDX-UHFFFAOYSA-N 2 0 339.483 3.147 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000159214258 455362682 /nfs/dbraw/zinc/36/26/82/455362682.db2.gz CHLAILBRKUDRBU-GFCCVEGCSA-N 2 0 331.445 3.386 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000075939537 453940122 /nfs/dbraw/zinc/94/01/22/453940122.db2.gz VNJZPBLVISIZGG-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)o1 ZINC000042751739 454023727 /nfs/dbraw/zinc/02/37/27/454023727.db2.gz YKXOULMITUSEOX-UHFFFAOYSA-N 2 0 329.444 3.435 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)ccn1 ZINC000130302156 454188593 /nfs/dbraw/zinc/18/85/93/454188593.db2.gz AULLZQYDSMRSNW-CABCVRRESA-N 2 0 345.409 3.233 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000130455948 454199528 /nfs/dbraw/zinc/19/95/28/454199528.db2.gz RPKCGTVUIGHZAD-UHFFFAOYSA-N 2 0 334.851 3.196 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000130917504 454226201 /nfs/dbraw/zinc/22/62/01/454226201.db2.gz ZAFWILXHAQNSRL-HXUWFJFHSA-N 2 0 343.515 3.123 20 0 EGADRP CCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028654 454264531 /nfs/dbraw/zinc/26/45/31/454264531.db2.gz RJFUBJVRERUUNQ-QGZVFWFLSA-N 2 0 331.504 3.181 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038776 454265568 /nfs/dbraw/zinc/26/55/68/454265568.db2.gz NKLHNUZKQWTHNB-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP Clc1cccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000060833554 454315618 /nfs/dbraw/zinc/31/56/18/454315618.db2.gz VXOXRVSRZTUACF-UHFFFAOYSA-N 2 0 343.902 3.247 20 0 EGADRP COc1cccc(NC(=O)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000072605782 454317564 /nfs/dbraw/zinc/31/75/64/454317564.db2.gz QBOPKMATRZXSMG-UHFFFAOYSA-N 2 0 347.503 3.076 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000078822458 454325430 /nfs/dbraw/zinc/32/54/30/454325430.db2.gz BNWWQTLCVNCDQC-VQTJNVASSA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)N1CC[NH+](C)CC1 ZINC000132454323 454340121 /nfs/dbraw/zinc/34/01/21/454340121.db2.gz IXJLNQYSPJEYSH-ZWKOTPCHSA-N 2 0 333.520 3.155 20 0 EGADRP c1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)nc1 ZINC000090802752 454341226 /nfs/dbraw/zinc/34/12/26/454341226.db2.gz FGPMGAMIZGXLAZ-GOSISDBHSA-N 2 0 328.504 3.047 20 0 EGADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090810461 454343299 /nfs/dbraw/zinc/34/32/99/454343299.db2.gz OQMKSKBAWBBOBZ-APWZRJJASA-N 2 0 336.520 3.321 20 0 EGADRP Cc1cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc(C)c1F ZINC000132571862 454350240 /nfs/dbraw/zinc/35/02/40/454350240.db2.gz JENWSXYMVFUJSJ-PKOBYXMFSA-N 2 0 335.511 3.365 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000090936624 454351610 /nfs/dbraw/zinc/35/16/10/454351610.db2.gz CIDGISHJSOOYEI-UIBIWLFHSA-N 2 0 334.504 3.201 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937255 454352813 /nfs/dbraw/zinc/35/28/13/454352813.db2.gz MBMDDQZWPCXVSN-INIZCTEOSA-N 2 0 327.472 3.435 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121004521 454376096 /nfs/dbraw/zinc/37/60/96/454376096.db2.gz KPGFQPPSZDMZKC-IPELMVKDSA-N 2 0 325.456 3.282 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000121266499 454413542 /nfs/dbraw/zinc/41/35/42/454413542.db2.gz VDEFQTOFLUVHBL-HUUCEWRRSA-N 2 0 341.902 3.403 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000063467561 454415626 /nfs/dbraw/zinc/41/56/26/454415626.db2.gz NGQDDASLGISRDA-ROUUACIJSA-N 2 0 345.531 3.121 20 0 EGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000073290754 454417319 /nfs/dbraw/zinc/41/73/19/454417319.db2.gz KSIYVKZOUYTGAT-LJQANCHMSA-N 2 0 336.439 3.136 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000091306343 454424995 /nfs/dbraw/zinc/42/49/95/454424995.db2.gz FUXSTGNRPOKYRX-SJORKVTESA-N 2 0 344.421 3.449 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC000091333552 454428084 /nfs/dbraw/zinc/42/80/84/454428084.db2.gz HRDXGCAJTNDDTH-PMACEKPBSA-N 2 0 343.515 3.095 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000121380332 454428845 /nfs/dbraw/zinc/42/88/45/454428845.db2.gz RPMOEQJTAGHROM-IAGOWNOFSA-N 2 0 329.488 3.357 20 0 EGADRP CCc1ccc(C[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)o1 ZINC000133637654 454448675 /nfs/dbraw/zinc/44/86/75/454448675.db2.gz IPHANOWIZHLVQE-UHFFFAOYSA-N 2 0 331.460 3.449 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000073648295 454463557 /nfs/dbraw/zinc/46/35/57/454463557.db2.gz HLPPAYKROGDWCQ-KRWDZBQOSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)CCn1cccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134144024 454508268 /nfs/dbraw/zinc/50/82/68/454508268.db2.gz VFPWRPJOVHUYBJ-UHFFFAOYSA-N 2 0 333.520 3.078 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000073972410 454509761 /nfs/dbraw/zinc/50/97/61/454509761.db2.gz SWEBHTLLEVDYPP-UHFFFAOYSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000074589430 454605988 /nfs/dbraw/zinc/60/59/88/454605988.db2.gz XXKPMLKSRKQTQT-QGZVFWFLSA-N 2 0 347.503 3.220 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123394685 454631721 /nfs/dbraw/zinc/63/17/21/454631721.db2.gz JNVCBFYWJYLPHU-KRWDZBQOSA-N 2 0 331.504 3.376 20 0 EGADRP COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2C)ccc1OC(F)F ZINC000105443852 454639095 /nfs/dbraw/zinc/63/90/95/454639095.db2.gz XAQWVPOCCYLRPQ-LBPRGKRZSA-N 2 0 339.386 3.227 20 0 EGADRP CCCC[C@@H](C(=O)OC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821481 454642390 /nfs/dbraw/zinc/64/23/90/454642390.db2.gz MIYFCMFSBAADLP-IBGZPJMESA-N 2 0 347.503 3.352 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000052209497 454660890 /nfs/dbraw/zinc/66/08/90/454660890.db2.gz CFQXNVHPAOERAW-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP Fc1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000635004445 460648267 /nfs/dbraw/zinc/64/82/67/460648267.db2.gz OOVINSZBYREQKQ-NBZYUPRNSA-N 2 0 338.854 3.287 20 0 EGADRP C[C@H](c1cccnc1)[N@H+](C)CCOCC[NH+](C)[C@@H](C)c1cccnc1 ZINC000093234811 454694218 /nfs/dbraw/zinc/69/42/18/454694218.db2.gz CIRLZKCFVWEXPR-HDICACEKSA-N 2 0 342.487 3.179 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000152676168 454710694 /nfs/dbraw/zinc/71/06/94/454710694.db2.gz HKHUYFGUXNNGFQ-DZFGPLHGSA-N 2 0 328.500 3.335 20 0 EGADRP c1ncc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000136282210 454733517 /nfs/dbraw/zinc/73/35/17/454733517.db2.gz KJLOKVLATZSSCV-UHFFFAOYSA-N 2 0 345.512 3.304 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)c1 ZINC000124523604 454743750 /nfs/dbraw/zinc/74/37/50/454743750.db2.gz QSXLRURRTFWTMN-QFIPXVFZSA-N 2 0 343.559 3.179 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)c1 ZINC000124523778 454743934 /nfs/dbraw/zinc/74/39/34/454743934.db2.gz QSXLRURRTFWTMN-JOCHJYFZSA-N 2 0 343.559 3.179 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000107347042 454753410 /nfs/dbraw/zinc/75/34/10/454753410.db2.gz KBPZCHZEPJQXQO-UHFFFAOYSA-N 2 0 325.541 3.268 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCOC1 ZINC000124636343 454755133 /nfs/dbraw/zinc/75/51/33/454755133.db2.gz CVSFRTHAERDYLZ-JWWGGVBKSA-N 2 0 346.515 3.201 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162189234 454757075 /nfs/dbraw/zinc/75/70/75/454757075.db2.gz PPPVUVNIHBXLCF-BFQNTYOBSA-N 2 0 343.284 3.449 20 0 EGADRP C[N@H+](CCC[NH+]1CCCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000162211009 454759231 /nfs/dbraw/zinc/75/92/31/454759231.db2.gz OZJFGLULKZTWGN-UHFFFAOYSA-N 3 0 344.547 3.496 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c2ccccc12 ZINC000162502847 454779070 /nfs/dbraw/zinc/77/90/70/454779070.db2.gz WYSZWHWKPWOPSZ-QGZVFWFLSA-N 2 0 341.499 3.137 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cnn(Cc2ccccc2)c1 ZINC000635010638 460654361 /nfs/dbraw/zinc/65/43/61/460654361.db2.gz KTYHVQPXBMQTAB-LPHOPBHVSA-N 2 0 326.488 3.360 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC[C@@H]21 ZINC000139914689 454812999 /nfs/dbraw/zinc/81/29/99/454812999.db2.gz RMZBOLKZHSHBPB-PBHICJAKSA-N 2 0 335.879 3.085 20 0 EGADRP CCC[C@H](CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000125508692 454828660 /nfs/dbraw/zinc/82/86/60/454828660.db2.gz QHSBRJHHBPVBGT-OALUTQOASA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000163260385 454834601 /nfs/dbraw/zinc/83/46/01/454834601.db2.gz PDFWAEPOSAEXBH-RAUXBKROSA-N 2 0 327.516 3.254 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000111094668 454857233 /nfs/dbraw/zinc/85/72/33/454857233.db2.gz YHUYCMOSTTUSNT-IBGZPJMESA-N 2 0 345.531 3.402 20 0 EGADRP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000177381612 454858171 /nfs/dbraw/zinc/85/81/71/454858171.db2.gz UZEJBGSSRITIFP-UHFFFAOYSA-N 2 0 340.515 3.001 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000177426550 454862326 /nfs/dbraw/zinc/86/23/26/454862326.db2.gz VJMOVUBXYSAYLG-FXAWDEMLSA-N 2 0 343.515 3.160 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154258456 454879156 /nfs/dbraw/zinc/87/91/56/454879156.db2.gz XIBWTGLPKDCABD-KRWDZBQOSA-N 2 0 335.561 3.477 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000154526896 454904929 /nfs/dbraw/zinc/90/49/29/454904929.db2.gz MHYAQFYCADPRHD-FQEVSTJZSA-N 2 0 347.572 3.024 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000166064360 454907625 /nfs/dbraw/zinc/90/76/25/454907625.db2.gz FMAFNVVDYZPXNX-AEFFLSMTSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000126668265 454910973 /nfs/dbraw/zinc/91/09/73/454910973.db2.gz SEAXVEPANLMVEB-MRXNPFEDSA-N 2 0 329.513 3.346 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCN1C ZINC000154656233 454916059 /nfs/dbraw/zinc/91/60/59/454916059.db2.gz GKVMOPAUPYMRDC-DGCLKSJQSA-N 2 0 329.257 3.203 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC[N@@H+]1C ZINC000177917721 454919533 /nfs/dbraw/zinc/91/95/33/454919533.db2.gz SPJLEVANDMGAON-QAPCUYQASA-N 2 0 336.907 3.461 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151045714 454930270 /nfs/dbraw/zinc/93/02/70/454930270.db2.gz PAPVDMAWGVSKPY-MDZRGWNJSA-N 2 0 329.488 3.022 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000151097436 454936366 /nfs/dbraw/zinc/93/63/66/454936366.db2.gz RNEWWALFUONOAF-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP COCCC1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000151209335 454952577 /nfs/dbraw/zinc/95/25/77/454952577.db2.gz QTSRDIKDXPXLBF-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)N1CC[NH+](C)CC1 ZINC000127779071 454997276 /nfs/dbraw/zinc/99/72/76/454997276.db2.gz KFELJUKCRIZQBZ-IRXDYDNUSA-N 2 0 327.472 3.233 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000171051528 455021322 /nfs/dbraw/zinc/02/13/22/455021322.db2.gz VGCPCQIGVOXZBJ-OBGWFSINSA-N 2 0 336.483 3.027 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000155660266 455027583 /nfs/dbraw/zinc/02/75/83/455027583.db2.gz YRLORWGMBOFHCI-JXFKEZNVSA-N 2 0 345.531 3.441 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000155917267 455062024 /nfs/dbraw/zinc/06/20/24/455062024.db2.gz XRNXAFUGSWVCKH-IRXDYDNUSA-N 2 0 345.531 3.235 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000600965634 460659964 /nfs/dbraw/zinc/65/99/64/460659964.db2.gz RCKPOLTZXJZZRV-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000152411713 455115597 /nfs/dbraw/zinc/11/55/97/455115597.db2.gz SCEYMCGAWXCYLM-BJLQDIEVSA-N 2 0 330.516 3.362 20 0 EGADRP FC(F)(F)CN1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000152428259 455118088 /nfs/dbraw/zinc/11/80/88/455118088.db2.gz ALMCOMBWQYDNFC-HNNXBMFYSA-N 2 0 333.442 3.010 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000623656181 460663333 /nfs/dbraw/zinc/66/33/33/460663333.db2.gz OQUJLRHSNPRSNJ-IBGZPJMESA-N 2 0 339.483 3.482 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000623655898 460664029 /nfs/dbraw/zinc/66/40/29/460664029.db2.gz IEMYPRCPAMKSBO-HXUWFJFHSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000156672493 455143280 /nfs/dbraw/zinc/14/32/80/455143280.db2.gz CQHMGHSUSRHLID-ROUUACIJSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)CCCc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000156970312 455159198 /nfs/dbraw/zinc/15/91/98/455159198.db2.gz NFJXHBXQAKRBPO-WIYYLYMNSA-N 2 0 340.515 3.338 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157028027 455161758 /nfs/dbraw/zinc/16/17/58/455161758.db2.gz GTSACGFZZZVGDW-INIZCTEOSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000237383708 455180272 /nfs/dbraw/zinc/18/02/72/455180272.db2.gz RLTFYIWSUVKOPV-MRXNPFEDSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CC2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000237400793 455182222 /nfs/dbraw/zinc/18/22/22/455182222.db2.gz IBAUYIIEZCVSDK-QGZVFWFLSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCCCC[NH3+])cc2)C1 ZINC000237502882 455190136 /nfs/dbraw/zinc/19/01/36/455190136.db2.gz HHCQNUNPDCRPGF-SFHVURJKSA-N 2 0 345.531 3.444 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000245201701 455280682 /nfs/dbraw/zinc/28/06/82/455280682.db2.gz LTPNDMLAGPPHEP-ZACQAIPSSA-N 2 0 331.504 3.016 20 0 EGADRP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1=O ZINC000245477588 455310465 /nfs/dbraw/zinc/31/04/65/455310465.db2.gz UMZRCUQXOXPFLX-PXNSSMCTSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000158895699 455335772 /nfs/dbraw/zinc/33/57/72/455335772.db2.gz UJBBUSQQTKZPCI-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159153780 455356352 /nfs/dbraw/zinc/35/63/52/455356352.db2.gz VKGCKUMXIDBJQS-OALUTQOASA-N 2 0 330.520 3.138 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000245850472 455384831 /nfs/dbraw/zinc/38/48/31/455384831.db2.gz FWQMDDHJNAUDBL-OBZTUIKSSA-N 2 0 344.499 3.235 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245914190 455398578 /nfs/dbraw/zinc/39/85/78/455398578.db2.gz GEXIHEOEHWKLBY-IKGGRYGDSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000174658107 455409795 /nfs/dbraw/zinc/40/97/95/455409795.db2.gz ZUOSUBXUIOIWRU-UHFFFAOYSA-N 2 0 345.531 3.263 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246269544 455461387 /nfs/dbraw/zinc/46/13/87/455461387.db2.gz UXSFNEGOCQWCJH-XJKSGUPXSA-N 2 0 330.394 3.448 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182257381 455473497 /nfs/dbraw/zinc/47/34/97/455473497.db2.gz RGUKWIBZULQJEJ-QAPCUYQASA-N 2 0 330.497 3.474 20 0 EGADRP COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182263511 455475962 /nfs/dbraw/zinc/47/59/62/455475962.db2.gz SAPHORNLOOKWMK-APWZRJJASA-N 2 0 340.467 3.113 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000182294528 455481988 /nfs/dbraw/zinc/48/19/88/455481988.db2.gz ZHHQAYOZWUKUJY-FCHUYYIVSA-N 2 0 344.543 3.424 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000182630579 455556619 /nfs/dbraw/zinc/55/66/19/455556619.db2.gz BMLAMYJCKGTSJL-HKUYNNGSSA-N 2 0 346.515 3.261 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000601019075 460677927 /nfs/dbraw/zinc/67/79/27/460677927.db2.gz GRAZZTPWHGAIDT-IEBWSBKVSA-N 2 0 345.531 3.497 20 0 EGADRP CCOC(=O)[C@H](c1cccc(Cl)c1)N(C)CCCn1ccnc1 ZINC000192137017 455562389 /nfs/dbraw/zinc/56/23/89/455562389.db2.gz UAYKJPHQZJMRGE-INIZCTEOSA-N 2 0 335.835 3.163 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192138296 455563060 /nfs/dbraw/zinc/56/30/60/455563060.db2.gz GNNADEYTAIZWDF-MSOLQXFVSA-N 2 0 335.398 3.370 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000247204606 455573426 /nfs/dbraw/zinc/57/34/26/455573426.db2.gz WMWPRFNVQSDBDY-BBRMVZONSA-N 2 0 330.394 3.448 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C(=O)OC)o2)CC1 ZINC000182763594 455582509 /nfs/dbraw/zinc/58/25/09/455582509.db2.gz LKAGKKJMLOEHGO-UHFFFAOYSA-N 2 0 336.476 3.400 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)OCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185716763 455604716 /nfs/dbraw/zinc/60/47/16/455604716.db2.gz XLDUBQFHESVQAE-IEBWSBKVSA-N 2 0 344.499 3.363 20 0 EGADRP COC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185756259 455615394 /nfs/dbraw/zinc/61/53/94/455615394.db2.gz PDWMBCIASWDMFG-CRAIPNDOSA-N 2 0 330.472 3.216 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCC(C(=O)OC)CC2)c1 ZINC000192439588 455616172 /nfs/dbraw/zinc/61/61/72/455616172.db2.gz HJDWMZVTDOXXPH-UHFFFAOYSA-N 2 0 332.488 3.350 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000284144854 455642883 /nfs/dbraw/zinc/64/28/83/455642883.db2.gz YTVMTKFQSDOTLH-UHFFFAOYSA-N 2 0 335.467 3.312 20 0 EGADRP CN(c1ccccc1C[NH2+]CC1(C)CCOCC1)C1CC[NH+](C)CC1 ZINC000268384716 455668271 /nfs/dbraw/zinc/66/82/71/455668271.db2.gz VUBWIQHZAYFEPU-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000248030246 455672278 /nfs/dbraw/zinc/67/22/78/455672278.db2.gz QETFMXRNAIOQTH-RDTXWAMCSA-N 2 0 330.476 3.105 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284393407 455678520 /nfs/dbraw/zinc/67/85/20/455678520.db2.gz CICFGDUQNCYNTH-UHFFFAOYSA-N 2 0 336.439 3.106 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000271575299 455688810 /nfs/dbraw/zinc/68/88/10/455688810.db2.gz ZGCCKNYNDIUBTN-NJYVYQBISA-N 2 0 344.499 3.040 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc2o1 ZINC000248168109 455692937 /nfs/dbraw/zinc/69/29/37/455692937.db2.gz UEUOXEAMAQNYQZ-NVXWUHKLSA-N 2 0 342.439 3.136 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000192844912 455704861 /nfs/dbraw/zinc/70/48/61/455704861.db2.gz NWDCCUZLTKQZAI-UHFFFAOYSA-N 2 0 335.923 3.114 20 0 EGADRP CCSc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000186215986 455718192 /nfs/dbraw/zinc/71/81/92/455718192.db2.gz WJOHXFZMJLYQAX-GOSISDBHSA-N 2 0 333.545 3.010 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(N2CCOCC2)c1 ZINC000268898348 455722808 /nfs/dbraw/zinc/72/28/08/455722808.db2.gz WCPYVRVFDGGTJG-KRWDZBQOSA-N 2 0 343.515 3.048 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000271695204 455724962 /nfs/dbraw/zinc/72/49/62/455724962.db2.gz LKFDMUICRNHOHK-SLFFLAALSA-N 2 0 332.463 3.171 20 0 EGADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000268938971 455736828 /nfs/dbraw/zinc/73/68/28/455736828.db2.gz SGXNATZVKRGTAT-UYAOXDASSA-N 2 0 334.504 3.363 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000616994287 460692700 /nfs/dbraw/zinc/69/27/00/460692700.db2.gz YBQXYSBMJXCPTK-SFHVURJKSA-N 2 0 343.515 3.133 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284846249 455751526 /nfs/dbraw/zinc/75/15/26/455751526.db2.gz RGRPDZAKIIHBTL-JKSUJKDBSA-N 2 0 338.293 3.369 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781126 455755822 /nfs/dbraw/zinc/75/58/22/455755822.db2.gz LJGNDVMNGIENNW-OAQYLSRUSA-N 2 0 337.467 3.188 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000269040379 455772494 /nfs/dbraw/zinc/77/24/94/455772494.db2.gz GKJXKQFCJGDSLP-CZUORRHYSA-N 2 0 330.419 3.295 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000271878945 455796802 /nfs/dbraw/zinc/79/68/02/455796802.db2.gz OWQSASUMYNEJOP-MRXNPFEDSA-N 2 0 326.362 3.424 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1N(C)C ZINC000252802873 455830446 /nfs/dbraw/zinc/83/04/46/455830446.db2.gz VRXZQMCTKGWGSE-KZNAEPCWSA-N 2 0 333.520 3.293 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000186737353 455830853 /nfs/dbraw/zinc/83/08/53/455830853.db2.gz DZTXDULYOVRXMP-OAHLLOKOSA-N 2 0 335.458 3.257 20 0 EGADRP COc1cccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000253370047 455835368 /nfs/dbraw/zinc/83/53/68/455835368.db2.gz LGAGECULEWBOGN-DYXWJJEUSA-N 2 0 343.515 3.049 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000285468629 455851538 /nfs/dbraw/zinc/85/15/38/455851538.db2.gz APYRMSNABQYXFR-CABCVRRESA-N 2 0 333.476 3.179 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000285468637 455851844 /nfs/dbraw/zinc/85/18/44/455851844.db2.gz APYRMSNABQYXFR-LSDHHAIUSA-N 2 0 333.476 3.179 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000285705770 455899935 /nfs/dbraw/zinc/89/99/35/455899935.db2.gz PHGURUUZJPXIRP-CVEARBPZSA-N 2 0 345.487 3.323 20 0 EGADRP Cc1nc(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000280245784 455926845 /nfs/dbraw/zinc/92/68/45/455926845.db2.gz BUNORCZGYNDRHG-HDICACEKSA-N 2 0 327.497 3.058 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272372810 455928140 /nfs/dbraw/zinc/92/81/40/455928140.db2.gz UZEWIRHGFMMSKB-ZMHJYQQXSA-N 2 0 328.500 3.300 20 0 EGADRP Cc1ncsc1CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296448738 455941580 /nfs/dbraw/zinc/94/15/80/455941580.db2.gz MQHQNLRAFBJWOK-CQSZACIVSA-N 2 0 333.501 3.285 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285926253 455943583 /nfs/dbraw/zinc/94/35/83/455943583.db2.gz CQZQCEHGJCMQOL-JKSUJKDBSA-N 2 0 345.487 3.036 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000187745056 455946204 /nfs/dbraw/zinc/94/62/04/455946204.db2.gz QPTXXVBFSJJBNC-UHFFFAOYSA-N 2 0 337.508 3.016 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1)C(C)C ZINC000285951735 455948402 /nfs/dbraw/zinc/94/84/02/455948402.db2.gz GJSYPWHZNRRDOU-LJQANCHMSA-N 2 0 331.504 3.260 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1-n1ccnn1 ZINC000285987150 455954774 /nfs/dbraw/zinc/95/47/74/455954774.db2.gz HXZCQIWZAQMDHZ-HNNXBMFYSA-N 2 0 327.476 3.181 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1Cl ZINC000195437419 455960191 /nfs/dbraw/zinc/96/01/91/455960191.db2.gz GRYLIISSPPCCNO-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261887636 455965735 /nfs/dbraw/zinc/96/57/35/455965735.db2.gz VMIZXRLZIFZEOH-DLBZAZTESA-N 2 0 329.488 3.389 20 0 EGADRP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000261896247 455966616 /nfs/dbraw/zinc/96/66/16/455966616.db2.gz UNMRKRBHUGPKLS-SFHVURJKSA-N 2 0 343.515 3.069 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000272514318 455978189 /nfs/dbraw/zinc/97/81/89/455978189.db2.gz GTAKECQCVSUDDD-ICSRJNTNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261982518 455981418 /nfs/dbraw/zinc/98/14/18/455981418.db2.gz RPAIZEHKFLRPFI-DGCLKSJQSA-N 2 0 338.377 3.265 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000261995705 455982496 /nfs/dbraw/zinc/98/24/96/455982496.db2.gz NRTZZWJLEVIYIE-KRWDZBQOSA-N 2 0 331.504 3.260 20 0 EGADRP CCN(CC)C(=O)CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272526280 455982636 /nfs/dbraw/zinc/98/26/36/455982636.db2.gz AKGXMQOMCWLMGZ-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272553003 455992177 /nfs/dbraw/zinc/99/21/77/455992177.db2.gz SUTYRUGQTMHDEG-OPYAIIAOSA-N 2 0 340.515 3.328 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262121219 456001316 /nfs/dbraw/zinc/00/13/16/456001316.db2.gz KCIFVQBRUIHUER-UYAOXDASSA-N 2 0 331.504 3.093 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CCC2)c1 ZINC000262173142 456007874 /nfs/dbraw/zinc/00/78/74/456007874.db2.gz VLNFATSTGCAWQB-SJLPKXTDSA-N 2 0 332.488 3.051 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262177567 456008419 /nfs/dbraw/zinc/00/84/19/456008419.db2.gz IHDGKKMXKLUGGM-PXNSSMCTSA-N 2 0 345.531 3.293 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000262184846 456009576 /nfs/dbraw/zinc/00/95/76/456009576.db2.gz JBKATGWWXYDWJN-IXDOHACOSA-N 2 0 348.487 3.113 20 0 EGADRP Cc1nccn1CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272601947 456009810 /nfs/dbraw/zinc/00/98/10/456009810.db2.gz YNSULFFINOZLFR-XLIONFOSSA-N 2 0 326.488 3.082 20 0 EGADRP Cc1ncsc1CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272608425 456012215 /nfs/dbraw/zinc/01/22/15/456012215.db2.gz ZLHKQYDFGXRHLC-QAPCUYQASA-N 2 0 329.513 3.494 20 0 EGADRP COC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000296744638 456026940 /nfs/dbraw/zinc/02/69/40/456026940.db2.gz JZLILWIQOSLUAP-YOEHRIQHSA-N 2 0 336.863 3.043 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000262666028 456052635 /nfs/dbraw/zinc/05/26/35/456052635.db2.gz KDMDKCGTDOJITB-DLBZAZTESA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272800962 456073311 /nfs/dbraw/zinc/07/33/11/456073311.db2.gz ZQKASVPSIUTGJN-YJBOKZPZSA-N 2 0 330.497 3.474 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cc21 ZINC000263222126 456112472 /nfs/dbraw/zinc/11/24/72/456112472.db2.gz MASKNZRKIKPUTI-FXAWDEMLSA-N 2 0 342.487 3.049 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@H]1CCC[NH2+]C1 ZINC000263265873 456117949 /nfs/dbraw/zinc/11/79/49/456117949.db2.gz NODCHSRCACGPEV-WCIQWLHISA-N 2 0 349.563 3.125 20 0 EGADRP CCn1ccnc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000297144841 456131357 /nfs/dbraw/zinc/13/13/57/456131357.db2.gz ZRISLGPYWFHVHH-HNNXBMFYSA-N 2 0 342.491 3.002 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236635281 456161281 /nfs/dbraw/zinc/16/12/81/456161281.db2.gz DLTWOEBERZNDPW-HKUYNNGSSA-N 2 0 345.531 3.263 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236818720 456187423 /nfs/dbraw/zinc/18/74/23/456187423.db2.gz PRZBUXPGEUHNHY-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP Cc1cc([C@H](C)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951525 456193133 /nfs/dbraw/zinc/19/31/33/456193133.db2.gz WOARDEPRJSMNJK-ULQDDVLXSA-N 2 0 343.471 3.443 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ccccc4C3)cc2)CC1 ZINC000237092053 456231736 /nfs/dbraw/zinc/23/17/36/456231736.db2.gz RKYBBJCQOPYDFG-HSZRJFAPSA-N 2 0 349.522 3.081 20 0 EGADRP C[NH+](C)CCOc1ccc(NC(=O)CCCCCC[NH3+])cc1Cl ZINC000237184061 456243496 /nfs/dbraw/zinc/24/34/96/456243496.db2.gz VZTCNXMFZPQLMZ-UHFFFAOYSA-N 2 0 341.883 3.128 20 0 EGADRP Cc1ccc([C@H](CNc2nc3ccccc3[nH]2)N2CCOCC2)cc1 ZINC000301897309 456244092 /nfs/dbraw/zinc/24/40/92/456244092.db2.gz VNOATQXXIDVRLL-IBGZPJMESA-N 2 0 336.439 3.357 20 0 EGADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000290193535 456264396 /nfs/dbraw/zinc/26/43/96/456264396.db2.gz ONNRTYQLJWXOSQ-RBUKOAKNSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000290215240 456269052 /nfs/dbraw/zinc/26/90/52/456269052.db2.gz HOQLTEAIECIQAP-DNVCBOLYSA-N 2 0 325.456 3.360 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000352777006 456296797 /nfs/dbraw/zinc/29/67/97/456296797.db2.gz FPQNBZDMKDWSOY-SCTDSRPQSA-N 2 0 348.535 3.016 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290357976 456303902 /nfs/dbraw/zinc/30/39/02/456303902.db2.gz GOWSNXSWBDQSHJ-LJQANCHMSA-N 2 0 338.499 3.344 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cnccc2C)[C@H](C)C1 ZINC000290387393 456313086 /nfs/dbraw/zinc/31/30/86/456313086.db2.gz OJRNVDCGRFCBRJ-UYAOXDASSA-N 2 0 333.520 3.049 20 0 EGADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416344 456322273 /nfs/dbraw/zinc/32/22/73/456322273.db2.gz KJVWLOPVEUBVCW-HKUYNNGSSA-N 2 0 338.455 3.185 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000342950762 456334396 /nfs/dbraw/zinc/33/43/96/456334396.db2.gz JBYKSQBYCRBJSP-UHFFFAOYSA-N 2 0 334.504 3.264 20 0 EGADRP CC(C)[NH+]1CCC(N(C)Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298000858 456341017 /nfs/dbraw/zinc/34/10/17/456341017.db2.gz ZNHSKUWDHLVLOP-SFHVURJKSA-N 2 0 345.531 3.216 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275930811 456352870 /nfs/dbraw/zinc/35/28/70/456352870.db2.gz XLQGRVPJZXPSIN-WOJBJXKFSA-N 2 0 330.516 3.322 20 0 EGADRP CCOCc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000290575891 456369801 /nfs/dbraw/zinc/36/98/01/456369801.db2.gz UDBMROJOQKTJSS-IBGZPJMESA-N 2 0 346.515 3.395 20 0 EGADRP CN1CC[C@H]([NH2+]CCOc2ncccc2F)C[C@H]1c1ccccc1 ZINC000340308379 456377272 /nfs/dbraw/zinc/37/72/72/456377272.db2.gz ZUPWNZLDYKWTOD-WMZOPIPTSA-N 2 0 329.419 3.025 20 0 EGADRP CCCNC(=O)CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000298239570 456400167 /nfs/dbraw/zinc/40/01/67/456400167.db2.gz SBBBLMZHFVZLMX-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)nnn1-c1ccccc1 ZINC000340477373 456484860 /nfs/dbraw/zinc/48/48/60/456484860.db2.gz VBIUNBYBGJVIDF-KRWDZBQOSA-N 2 0 341.503 3.492 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479838 456484870 /nfs/dbraw/zinc/48/48/70/456484870.db2.gz NGDOKOUFRXFLIU-FPOVZHCZSA-N 2 0 344.547 3.148 20 0 EGADRP CCC[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000337618199 456428864 /nfs/dbraw/zinc/42/88/64/456428864.db2.gz CPFKTAJPPFVFOP-MRXNPFEDSA-N 2 0 349.544 3.294 20 0 EGADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348084836 456466915 /nfs/dbraw/zinc/46/69/15/456466915.db2.gz MEGDXOKRMWKLCW-KSZLIROESA-N 2 0 341.503 3.286 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340472172 456478391 /nfs/dbraw/zinc/47/83/91/456478391.db2.gz CQGSIKCLVSNUEG-PXNSSMCTSA-N 2 0 334.504 3.454 20 0 EGADRP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000340497927 456493189 /nfs/dbraw/zinc/49/31/89/456493189.db2.gz NQUCXDKCNBIZGL-SFHVURJKSA-N 2 0 345.531 3.313 20 0 EGADRP CC[N@H+](Cc1cn(C)nc1C(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000291022108 456500651 /nfs/dbraw/zinc/50/06/51/456500651.db2.gz GYYLWIRNJSWRRR-UHFFFAOYSA-N 2 0 336.430 3.441 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC(=O)NC(C)(C)C)CC1 ZINC000340523392 456508195 /nfs/dbraw/zinc/50/81/95/456508195.db2.gz IGFOQYQPXRSRSF-UHFFFAOYSA-N 2 0 345.531 3.324 20 0 EGADRP COC(C)(C)[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000340529718 456513273 /nfs/dbraw/zinc/51/32/73/456513273.db2.gz PBSFXQQATHVJRE-SFHVURJKSA-N 2 0 348.531 3.461 20 0 EGADRP CCCN1Cc2cccc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)c2C1 ZINC000276579060 456520587 /nfs/dbraw/zinc/52/05/87/456520587.db2.gz IBEAGWHJWHTWNG-UHFFFAOYSA-N 2 0 349.478 3.353 20 0 EGADRP CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000305095727 456524817 /nfs/dbraw/zinc/52/48/17/456524817.db2.gz SDSRTXMZXONUQM-UWJYYQICSA-N 2 0 347.547 3.104 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnnn2-c2ccccc2)cc1 ZINC000651669355 462295755 /nfs/dbraw/zinc/29/57/55/462295755.db2.gz QPQRIOWNXCIYTI-UHFFFAOYSA-N 2 0 349.482 3.399 20 0 EGADRP CSC1(C[NH2+]Cc2cccc(Br)c2)CC[NH+](C)CC1 ZINC000353225903 456571735 /nfs/dbraw/zinc/57/17/35/456571735.db2.gz XYNAEXBLQZQLJN-UHFFFAOYSA-N 2 0 343.334 3.366 20 0 EGADRP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309740641 456575989 /nfs/dbraw/zinc/57/59/89/456575989.db2.gz RRJNGMXLXURMQG-GOSISDBHSA-N 2 0 347.503 3.013 20 0 EGADRP COc1ccnc(N2CC[NH+](Cc3c(C)oc4ccccc43)CC2)c1 ZINC000353284161 456609109 /nfs/dbraw/zinc/60/91/09/456609109.db2.gz SULIKDMHXCYNLR-UHFFFAOYSA-N 2 0 337.423 3.467 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000326284939 456692243 /nfs/dbraw/zinc/69/22/43/456692243.db2.gz YVIIKAVCICXDLJ-IBGZPJMESA-N 2 0 337.552 3.255 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCc3c2c(F)ccc3F)C[C@H](C)O1 ZINC000338202330 456702888 /nfs/dbraw/zinc/70/28/88/456702888.db2.gz ZNUHOAOVTJMYBB-IYOUNJFTSA-N 2 0 338.442 3.431 20 0 EGADRP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000277174766 456709321 /nfs/dbraw/zinc/70/93/21/456709321.db2.gz HBZKQLFCWABSOW-GJZGRUSLSA-N 2 0 344.459 3.436 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000343576491 456717520 /nfs/dbraw/zinc/71/75/20/456717520.db2.gz HTIJXQCGQKCHJA-KRWDZBQOSA-N 2 0 343.515 3.018 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000353515310 456727762 /nfs/dbraw/zinc/72/77/62/456727762.db2.gz DQSSUGGFKFFUBO-UHFFFAOYSA-N 2 0 339.483 3.291 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000291712571 456730418 /nfs/dbraw/zinc/73/04/18/456730418.db2.gz ZZJLVZPSLNCZLM-GOSISDBHSA-N 2 0 349.482 3.348 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(OC)nn2)CC1)CC(C)C ZINC000338291833 456751900 /nfs/dbraw/zinc/75/19/00/456751900.db2.gz ZQHHGEHSXINAMG-UHFFFAOYSA-N 2 0 334.508 3.065 20 0 EGADRP CC(C)[C@H](NC(=O)CN1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277280992 456757126 /nfs/dbraw/zinc/75/71/26/456757126.db2.gz SJNMVDLHMXXGTH-ICSRJNTNSA-N 2 0 349.494 3.055 20 0 EGADRP CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000291865897 456782253 /nfs/dbraw/zinc/78/22/53/456782253.db2.gz HZINJJZXQKOCOX-CQSZACIVSA-N 2 0 331.460 3.337 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC[NH+](C)CC1 ZINC000353610460 456801309 /nfs/dbraw/zinc/80/13/09/456801309.db2.gz MWDIHXBJADEBCS-MRXNPFEDSA-N 2 0 344.528 3.350 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000353631429 456815423 /nfs/dbraw/zinc/81/54/23/456815423.db2.gz QFQRTQJESHEQCM-LJQANCHMSA-N 2 0 347.572 3.068 20 0 EGADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(OC(F)F)c1 ZINC000353630949 456815586 /nfs/dbraw/zinc/81/55/86/456815586.db2.gz JZBINKQPZZNKBP-UHFFFAOYSA-N 2 0 328.403 3.259 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[N@H+](Cc2ccccc2)C1 ZINC000344487360 456831624 /nfs/dbraw/zinc/83/16/24/456831624.db2.gz VIDYNMKKANAHQA-AYWYSENESA-N 2 0 327.516 3.113 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccc21 ZINC000338780951 456857418 /nfs/dbraw/zinc/85/74/18/456857418.db2.gz OTOOYSDIKBXZGK-RBUKOAKNSA-N 2 0 344.499 3.490 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353753091 456891168 /nfs/dbraw/zinc/89/11/68/456891168.db2.gz VIFDGRGNBDLARF-UXHICEINSA-N 2 0 329.532 3.313 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000353842147 456931361 /nfs/dbraw/zinc/93/13/61/456931361.db2.gz MNXFCJXVPJPPIE-JTDSTZFVSA-N 2 0 337.483 3.397 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000345205324 456966811 /nfs/dbraw/zinc/96/68/11/456966811.db2.gz KACZCSNXUVPUQZ-HRAATJIYSA-N 2 0 340.515 3.352 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000349468076 456973745 /nfs/dbraw/zinc/97/37/45/456973745.db2.gz YEKSKGRBBPATIY-JXFKEZNVSA-N 2 0 333.520 3.292 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353948572 456975707 /nfs/dbraw/zinc/97/57/07/456975707.db2.gz VUIBGVPUJADGQG-NEPJUHHUSA-N 2 0 332.366 3.166 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000341886930 456987362 /nfs/dbraw/zinc/98/73/62/456987362.db2.gz JTMRZBDHNDJLIY-SFHVURJKSA-N 2 0 346.515 3.108 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000341890714 456988256 /nfs/dbraw/zinc/98/82/56/456988256.db2.gz QFMSBJWOWYSDJT-JYAXBFRTSA-N 3 0 347.547 3.014 20 0 EGADRP Clc1ccc2ncc(CN3CCN(Cc4cccs4)CC3)n2c1 ZINC000349578927 456990567 /nfs/dbraw/zinc/99/05/67/456990567.db2.gz SUZHCPDPWCYGHT-UHFFFAOYSA-N 2 0 346.887 3.367 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000358863525 457010645 /nfs/dbraw/zinc/01/06/45/457010645.db2.gz ZFRYUCNNUMCEEJ-IBGZPJMESA-N 2 0 343.446 3.349 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000354044508 457029127 /nfs/dbraw/zinc/02/91/27/457029127.db2.gz JHMIDFONWOVIQY-UHFFFAOYSA-N 2 0 334.504 3.326 20 0 EGADRP CC[C@H](C(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000339280525 457037549 /nfs/dbraw/zinc/03/75/49/457037549.db2.gz HCGAKHQJVRLVMQ-SXLOBPIMSA-N 2 0 345.531 3.086 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])CC(C)C ZINC000354068669 457041565 /nfs/dbraw/zinc/04/15/65/457041565.db2.gz QXFBRGNTNKOXDE-WHBLYCTDSA-N 2 0 337.552 3.013 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000354100644 457062070 /nfs/dbraw/zinc/06/20/70/457062070.db2.gz OMPGCUNGLFDGHM-LJQANCHMSA-N 2 0 341.499 3.476 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[NH+](C(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000339390789 457088080 /nfs/dbraw/zinc/08/80/80/457088080.db2.gz HPDHZDCVCWPHTC-UXHICEINSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000349881060 457092308 /nfs/dbraw/zinc/09/23/08/457092308.db2.gz LHVWOZNCEPWKEF-AZUAARDMSA-N 2 0 340.552 3.139 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCOCC3)CC2)c1 ZINC000356672785 457113262 /nfs/dbraw/zinc/11/32/62/457113262.db2.gz IFQNRXCMALKOMF-HXUWFJFHSA-N 2 0 345.531 3.056 20 0 EGADRP COC(=O)c1ccc(Cl)c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339435820 457118311 /nfs/dbraw/zinc/11/83/11/457118311.db2.gz DNRIGDJRKYCNAA-GOSISDBHSA-N 2 0 336.863 3.044 20 0 EGADRP COc1ccc2nc(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)sc2c1 ZINC000339437506 457118435 /nfs/dbraw/zinc/11/84/35/457118435.db2.gz KVTLBCLWFQXIMC-SFHVURJKSA-N 2 0 331.485 3.223 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)C[C@@H]1C ZINC000354209669 457133015 /nfs/dbraw/zinc/13/30/15/457133015.db2.gz RENSFQVQNWGUJD-LSDHHAIUSA-N 2 0 337.895 3.473 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000354209666 457133044 /nfs/dbraw/zinc/13/30/44/457133044.db2.gz RENSFQVQNWGUJD-CABCVRRESA-N 2 0 337.895 3.473 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000356876448 457192055 /nfs/dbraw/zinc/19/20/55/457192055.db2.gz RNCDNBONWZKWRF-PKOBYXMFSA-N 2 0 334.504 3.312 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354395823 457198635 /nfs/dbraw/zinc/19/86/35/457198635.db2.gz USCITBQJQJKGRM-MRXNPFEDSA-N 2 0 339.483 3.440 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000347047668 457202416 /nfs/dbraw/zinc/20/24/16/457202416.db2.gz VIQOEEFMNIWUPR-HNNXBMFYSA-N 2 0 349.544 3.341 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347141300 457252938 /nfs/dbraw/zinc/25/29/38/457252938.db2.gz WEFBDNZJBLNQAK-UKRRQHHQSA-N 2 0 332.879 3.393 20 0 EGADRP COc1cc(C)ccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000342390651 457273953 /nfs/dbraw/zinc/27/39/53/457273953.db2.gz QNVGKTAOPKHHCR-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000351615995 457307171 /nfs/dbraw/zinc/30/71/71/457307171.db2.gz PILNHUZMTTYOKD-QZTJIDSGSA-N 2 0 345.535 3.058 20 0 EGADRP C[N@H+](CCOCC[NH3+])[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000357081895 457312551 /nfs/dbraw/zinc/31/25/51/457312551.db2.gz NUDLYGLDXMCVMO-GOSISDBHSA-N 2 0 336.838 3.476 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000340115208 457337269 /nfs/dbraw/zinc/33/72/69/457337269.db2.gz KVPSYLJWPMXVPC-WOJBJXKFSA-N 2 0 345.531 3.300 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000352489183 457409187 /nfs/dbraw/zinc/40/91/87/457409187.db2.gz YNMFFEVNIMQTSJ-IBGZPJMESA-N 2 0 325.456 3.364 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000352488821 457409492 /nfs/dbraw/zinc/40/94/92/457409492.db2.gz VBFNDRQBMKOFCN-ZDUSSCGKSA-N 2 0 327.831 3.011 20 0 EGADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382757564 457422462 /nfs/dbraw/zinc/42/24/62/457422462.db2.gz RCSHMGPCTAGABY-NRFANRHFSA-N 3 0 329.532 3.220 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382730490 457424013 /nfs/dbraw/zinc/42/40/13/457424013.db2.gz ANAVXDGFVROXOW-QUCCMNQESA-N 2 0 345.531 3.121 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000390809071 457441743 /nfs/dbraw/zinc/44/17/43/457441743.db2.gz PRMZYNFNEJGZJX-HZPDHXFCSA-N 2 0 327.513 3.001 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000347461535 457443895 /nfs/dbraw/zinc/44/38/95/457443895.db2.gz VZVQONMQWSNETM-VQIMIIECSA-N 2 0 331.504 3.195 20 0 EGADRP Clc1cccc2c1OCCC[C@@H]2NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363782280 457445231 /nfs/dbraw/zinc/44/52/31/457445231.db2.gz KNAINJMJLLBLPD-CPUCHLNUSA-N 2 0 336.863 3.007 20 0 EGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000360942268 457449465 /nfs/dbraw/zinc/44/94/65/457449465.db2.gz OHPWRODIVZMVMD-KRWDZBQOSA-N 2 0 342.462 3.084 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347472548 457451963 /nfs/dbraw/zinc/45/19/63/457451963.db2.gz ZZPGZIYYUNXGHQ-NSHGMRRFSA-N 2 0 338.536 3.157 20 0 EGADRP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392260541 457457404 /nfs/dbraw/zinc/45/74/04/457457404.db2.gz GNUKYOQITBCOTK-DOTOQJQBSA-N 2 0 337.508 3.016 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3ccccc3Cl)C2)CC1 ZINC000374074436 457470665 /nfs/dbraw/zinc/47/06/65/457470665.db2.gz KOTXBFWJOASSLY-UHFFFAOYSA-N 2 0 349.906 3.476 20 0 EGADRP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347529621 457487488 /nfs/dbraw/zinc/48/74/88/457487488.db2.gz NEYHFTRRMZUBKE-NRFANRHFSA-N 2 0 349.478 3.026 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000342749709 457497624 /nfs/dbraw/zinc/49/76/24/457497624.db2.gz ZUCMILVCKRBJKM-SXLOBPIMSA-N 2 0 343.515 3.155 20 0 EGADRP Cc1nc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000360999682 457500924 /nfs/dbraw/zinc/50/09/24/457500924.db2.gz VINNAULLONYCEX-CQSZACIVSA-N 2 0 333.501 3.285 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179227 457510684 /nfs/dbraw/zinc/51/06/84/457510684.db2.gz RGNFMXQTSUQCCX-GOSISDBHSA-N 2 0 343.515 3.438 20 0 EGADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401046997 457521670 /nfs/dbraw/zinc/52/16/70/457521670.db2.gz RKVFDRXKUNZZRX-BQJUDKOJSA-N 2 0 329.532 3.121 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc2C1 ZINC000361050716 457543960 /nfs/dbraw/zinc/54/39/60/457543960.db2.gz IFHKCRZRAVWCEB-OAQYLSRUSA-N 2 0 343.515 3.192 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](OC)C2CC2)CC1 ZINC000425465106 457564524 /nfs/dbraw/zinc/56/45/24/457564524.db2.gz ZDGVTRBPEAANOA-FOIQADDNSA-N 2 0 349.494 3.043 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1)C(C)C ZINC000361080439 457570459 /nfs/dbraw/zinc/57/04/59/457570459.db2.gz NYOIEWDXEGXXPG-WOJBJXKFSA-N 2 0 343.515 3.035 20 0 EGADRP CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000347649913 457574308 /nfs/dbraw/zinc/57/43/08/457574308.db2.gz NDNTXTBCNZFRMM-RBUKOAKNSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000370268037 457604401 /nfs/dbraw/zinc/60/44/01/457604401.db2.gz VJEPDAKAPZSGAB-GHTZIAJQSA-N 2 0 346.515 3.453 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000361165906 457624662 /nfs/dbraw/zinc/62/46/62/457624662.db2.gz ZIRASDYHYFXMKE-JXFKEZNVSA-N 2 0 339.483 3.078 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358054904 457756439 /nfs/dbraw/zinc/75/64/39/457756439.db2.gz AKMHEWVVLOVKBS-YVWKXTFCSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)(C)C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433120720 457761959 /nfs/dbraw/zinc/76/19/59/457761959.db2.gz KZTOMEWLHZVEQN-IBGZPJMESA-N 2 0 345.531 3.483 20 0 EGADRP Cn1ccnc1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649178 457767190 /nfs/dbraw/zinc/76/71/90/457767190.db2.gz MPXWIBNAZJYXSL-LRDDRELGSA-N 2 0 337.826 3.126 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1 ZINC000358102094 457786922 /nfs/dbraw/zinc/78/69/22/457786922.db2.gz VNQVHUXADAKDCL-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411193820 457826898 /nfs/dbraw/zinc/82/68/98/457826898.db2.gz FQHYBLAGUJUFNZ-OAQYLSRUSA-N 2 0 343.515 3.021 20 0 EGADRP CCc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000375236653 457844011 /nfs/dbraw/zinc/84/40/11/457844011.db2.gz HOYWKGUUKGJUIH-UHFFFAOYSA-N 2 0 329.532 3.099 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000444226013 457869963 /nfs/dbraw/zinc/86/99/63/457869963.db2.gz OAZQRRFQOIXRAW-KRWDZBQOSA-N 2 0 347.478 3.413 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1)CC(C)C ZINC000427068585 457940170 /nfs/dbraw/zinc/94/01/70/457940170.db2.gz BAHYQLBNLWSJAH-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP c1ncc(CC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411749188 457968726 /nfs/dbraw/zinc/96/87/26/457968726.db2.gz UYQRGZBJACCRIY-QZTJIDSGSA-N 2 0 327.497 3.140 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000358395802 457975317 /nfs/dbraw/zinc/97/53/17/457975317.db2.gz INQJMYWCDGNCAF-FUMNGEBKSA-N 2 0 340.552 3.164 20 0 EGADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367816331 457983330 /nfs/dbraw/zinc/98/33/30/457983330.db2.gz SPHXPDSXENYDTG-AEFFLSMTSA-N 2 0 336.520 3.305 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000367894710 457992623 /nfs/dbraw/zinc/99/26/23/457992623.db2.gz FNLCLYNGMYBEJH-IMJJTQAJSA-N 2 0 334.426 3.483 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508219 458046620 /nfs/dbraw/zinc/04/66/20/458046620.db2.gz OTQBKEXOGLYXQY-UHFFFAOYSA-N 2 0 329.488 3.132 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000428217949 458098002 /nfs/dbraw/zinc/09/80/02/458098002.db2.gz VGAASUQYZGZOTI-BURNTYAHSA-N 2 0 328.500 3.446 20 0 EGADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000428255238 458108993 /nfs/dbraw/zinc/10/89/93/458108993.db2.gz XEKVLJYJHZHMKW-UHFFFAOYSA-N 2 0 335.492 3.183 20 0 EGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2ccccc2nc1N1CCCCC1 ZINC000435375218 458125316 /nfs/dbraw/zinc/12/53/16/458125316.db2.gz UCEVOBCVCGTPPT-IRXDYDNUSA-N 2 0 338.499 3.394 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435377288 458126872 /nfs/dbraw/zinc/12/68/72/458126872.db2.gz ZWMNFSCFORBSOK-DYVFJYSZSA-N 2 0 346.906 3.371 20 0 EGADRP Cc1csc(N2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)n1 ZINC000358675637 458143613 /nfs/dbraw/zinc/14/36/13/458143613.db2.gz IYFLELXUGKXLIK-UHFFFAOYSA-N 2 0 334.533 3.027 20 0 EGADRP Cc1cc(CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)ccc1F ZINC000435436567 458146637 /nfs/dbraw/zinc/14/66/37/458146637.db2.gz GBNCRKCZVNVZMB-SFHVURJKSA-N 2 0 342.462 3.012 20 0 EGADRP CCOc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435446085 458149193 /nfs/dbraw/zinc/14/91/93/458149193.db2.gz JGRAWVZUJSCUDV-AWEZNQCLSA-N 2 0 326.868 3.321 20 0 EGADRP CCN(CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626059 458176032 /nfs/dbraw/zinc/17/60/32/458176032.db2.gz NIPVQOWIAOPJAO-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCCc2nc(C)no2)CC1)CC(C)C ZINC000358751154 458193062 /nfs/dbraw/zinc/19/30/62/458193062.db2.gz MXKKNWDGVZRENQ-UHFFFAOYSA-N 2 0 336.524 3.391 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cc2)C1 ZINC000435892087 458219220 /nfs/dbraw/zinc/21/92/20/458219220.db2.gz JFPCEJLKPGWIFI-HGHGUNKESA-N 2 0 341.499 3.247 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376204038 458232141 /nfs/dbraw/zinc/23/21/41/458232141.db2.gz VQMBNMSQQAJINN-NQIIRXRSSA-N 2 0 343.559 3.442 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@]12CCCO2 ZINC000376282848 458258090 /nfs/dbraw/zinc/25/80/90/458258090.db2.gz BSLCLYJHYLLEQL-XUVXKRRUSA-N 2 0 336.520 3.100 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000447155661 458269085 /nfs/dbraw/zinc/26/90/85/458269085.db2.gz GVWRJISZWCXXCO-UHFFFAOYSA-N 2 0 346.519 3.163 20 0 EGADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000436295915 458284008 /nfs/dbraw/zinc/28/40/08/458284008.db2.gz IFEBBIHUTIVHGF-APWZRJJASA-N 2 0 331.504 3.408 20 0 EGADRP CS[C@H]1CCCC[N@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429681574 458357235 /nfs/dbraw/zinc/35/72/35/458357235.db2.gz CQVQEABFDFMWKJ-UXHICEINSA-N 2 0 348.556 3.495 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1OCC ZINC000376730624 458378365 /nfs/dbraw/zinc/37/83/65/458378365.db2.gz YYMNTTXTPIRHSR-UHFFFAOYSA-N 2 0 329.444 3.307 20 0 EGADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000448024325 458380664 /nfs/dbraw/zinc/38/06/64/458380664.db2.gz XQWDDTKODDTUMS-YJBOKZPZSA-N 2 0 347.503 3.122 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[C@H]1SC ZINC000459469947 458383039 /nfs/dbraw/zinc/38/30/39/458383039.db2.gz TVGAOQSBJOTMJQ-AGTSVGGPSA-N 2 0 326.550 3.138 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CCC2 ZINC000423436171 458431971 /nfs/dbraw/zinc/43/19/71/458431971.db2.gz ZOSGMRHGODWEMP-BZUAXINKSA-N 2 0 348.487 3.497 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423457298 458435225 /nfs/dbraw/zinc/43/52/25/458435225.db2.gz IFDBHNRRRHOOKF-MJBMTWDVSA-N 3 0 339.527 3.288 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Cl)c1 ZINC000423478786 458439419 /nfs/dbraw/zinc/43/94/19/458439419.db2.gz LMKUTOQYQAZRSC-CJNGLKHVSA-N 2 0 347.894 3.412 20 0 EGADRP Cc1cc(N)cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000423480709 458440133 /nfs/dbraw/zinc/44/01/33/458440133.db2.gz POLGFNGDCPZBEV-MRXNPFEDSA-N 2 0 327.472 3.368 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423491796 458442400 /nfs/dbraw/zinc/44/24/00/458442400.db2.gz KHGUVOAVBXUWTC-NJZAAPMLSA-N 2 0 333.867 3.007 20 0 EGADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000423515956 458449245 /nfs/dbraw/zinc/44/92/45/458449245.db2.gz XROGFRXOQHMYFQ-MLGOLLRUSA-N 2 0 332.469 3.448 20 0 EGADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C2CC3CC(C2)CC1C3 ZINC000423532171 458454062 /nfs/dbraw/zinc/45/40/62/458454062.db2.gz UYUHHHOQDTVBSH-FDXOQRKTSA-N 2 0 330.516 3.077 20 0 EGADRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000423540056 458454595 /nfs/dbraw/zinc/45/45/95/458454595.db2.gz CPYCLBJOSQSVFM-CWLKWCNXSA-N 2 0 344.890 3.141 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000423540584 458455413 /nfs/dbraw/zinc/45/54/13/458455413.db2.gz JXXUUSBUVNIAMO-SRABZTEZSA-N 2 0 342.405 3.371 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423548065 458455709 /nfs/dbraw/zinc/45/57/09/458455709.db2.gz GOJBODWEQYFGJT-FQEVSTJZSA-N 2 0 325.456 3.106 20 0 EGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000423551581 458455884 /nfs/dbraw/zinc/45/58/84/458455884.db2.gz GFPOHYWOYJPEQL-KRWDZBQOSA-N 2 0 341.474 3.470 20 0 EGADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423553452 458457280 /nfs/dbraw/zinc/45/72/80/458457280.db2.gz GXSPBNUVYMDJGN-HKUYNNGSSA-N 2 0 329.532 3.394 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000459743174 458466599 /nfs/dbraw/zinc/46/65/99/458466599.db2.gz WUEAWKBRINSVCJ-GOSISDBHSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000430616740 458471733 /nfs/dbraw/zinc/47/17/33/458471733.db2.gz HINNWCSEANQNNN-YESZJQIVSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423735872 458477314 /nfs/dbraw/zinc/47/73/14/458477314.db2.gz XPTGARWVUPHGSB-RHQZKXFESA-N 2 0 335.536 3.148 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000459794404 458481271 /nfs/dbraw/zinc/48/12/71/458481271.db2.gz UPNIEDPUGJAKLE-GIVPXCGWSA-N 2 0 329.532 3.219 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430719256 458483786 /nfs/dbraw/zinc/48/37/86/458483786.db2.gz IZMHSDJJTMRXPH-QGZVFWFLSA-N 2 0 343.471 3.002 20 0 EGADRP C[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000437713184 458485068 /nfs/dbraw/zinc/48/50/68/458485068.db2.gz FXLYFYJWYCBTOC-QGZVFWFLSA-N 2 0 334.479 3.364 20 0 EGADRP CN1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423826190 458492230 /nfs/dbraw/zinc/49/22/30/458492230.db2.gz MJNMMQFDNDWGFG-LSTDLKDCSA-N 2 0 349.906 3.109 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000430943753 458509167 /nfs/dbraw/zinc/50/91/67/458509167.db2.gz QLNCRSNGNIPJRG-CABCVRRESA-N 2 0 343.471 3.011 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000430949593 458510124 /nfs/dbraw/zinc/51/01/24/458510124.db2.gz DMZMWWFHEZLBGE-NSHDSACASA-N 2 0 344.286 3.252 20 0 EGADRP CC(C)(C)[C@@H]1CN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000423929189 458513792 /nfs/dbraw/zinc/51/37/92/458513792.db2.gz ZHYGBZXHVPTOMI-GOSISDBHSA-N 2 0 343.515 3.366 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1ccccc1 ZINC000460391711 458514973 /nfs/dbraw/zinc/51/49/73/458514973.db2.gz HUPFMTFLRLANMA-QGZVFWFLSA-N 2 0 333.520 3.210 20 0 EGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000373512867 458515251 /nfs/dbraw/zinc/51/52/51/458515251.db2.gz CIZQXZDMVGZQGI-HXUWFJFHSA-N 2 0 338.499 3.299 20 0 EGADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431042792 458520934 /nfs/dbraw/zinc/52/09/34/458520934.db2.gz LHEYNTDEZWXEFN-FQEVSTJZSA-N 2 0 349.478 3.442 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1)C(C)C ZINC000423954384 458521895 /nfs/dbraw/zinc/52/18/95/458521895.db2.gz JZWGKAXBTLSXAV-LJQANCHMSA-N 2 0 331.504 3.164 20 0 EGADRP CC[C@H]1CN(c2cc(C)c3ccc(C)cc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000460943599 458541527 /nfs/dbraw/zinc/54/15/27/458541527.db2.gz MZYQTJCJPBAYMQ-SJORKVTESA-N 2 0 327.472 3.133 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000424080426 458553384 /nfs/dbraw/zinc/55/33/84/458553384.db2.gz VOPMIVPWCWDUGP-ZWOKBUDYSA-N 2 0 345.531 3.364 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC([NH+]2CCCC2)CC1)CC1CCCCC1 ZINC000424137045 458568105 /nfs/dbraw/zinc/56/81/05/458568105.db2.gz RNHPYKMRAYPCEG-GOSISDBHSA-N 2 0 335.536 3.151 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000438581448 458602863 /nfs/dbraw/zinc/60/28/63/458602863.db2.gz QUSROELOSGPRCR-FQEVSTJZSA-N 2 0 343.515 3.032 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)ccc2o1 ZINC000424284105 458604043 /nfs/dbraw/zinc/60/40/43/458604043.db2.gz CIUIIXFDPXNGMI-CQSZACIVSA-N 2 0 342.439 3.183 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1coc(-c3cccc(F)c3)n1)CC[NH2+]CC2 ZINC000424296592 458608416 /nfs/dbraw/zinc/60/84/16/458608416.db2.gz RZIMRBPGPPWTGH-AWEZNQCLSA-N 2 0 329.419 3.445 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366956 458625706 /nfs/dbraw/zinc/62/57/06/458625706.db2.gz JYTHEYUOARWRLY-UXIGCNINSA-N 2 0 343.393 3.282 20 0 EGADRP CCCn1c2ccccc2nc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424383744 458630201 /nfs/dbraw/zinc/63/02/01/458630201.db2.gz ULZKVYYMHBTLPL-INIZCTEOSA-N 2 0 326.488 3.410 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494349263 458662139 /nfs/dbraw/zinc/66/21/39/458662139.db2.gz LFUBOAKKXGSDAN-OXJNMPFZSA-N 2 0 341.499 3.484 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463237028 458685686 /nfs/dbraw/zinc/68/56/86/458685686.db2.gz KWQYYMNJYGECHI-OAQYLSRUSA-N 2 0 343.559 3.404 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)NC(=O)OC(C)(C)C ZINC000494555428 458698825 /nfs/dbraw/zinc/69/88/25/458698825.db2.gz QRNQZHSUKDVRQY-HUUCEWRRSA-N 2 0 339.524 3.285 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[NH+](C)C ZINC000472087389 458767727 /nfs/dbraw/zinc/76/77/27/458767727.db2.gz HCAGPOZUZZQQIE-PKOBYXMFSA-N 2 0 345.531 3.352 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495337093 458837560 /nfs/dbraw/zinc/83/75/60/458837560.db2.gz OXPFYZKWUWTXDI-IBGZPJMESA-N 2 0 339.524 3.051 20 0 EGADRP CCc1cccc(Cl)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000474360155 458879749 /nfs/dbraw/zinc/87/97/49/458879749.db2.gz ZJMJGQAPRRDFLW-UHFFFAOYSA-N 2 0 337.939 3.266 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)[C@H]1C ZINC000474475433 458888783 /nfs/dbraw/zinc/88/87/83/458888783.db2.gz YKZXGXZYZPGRSM-CADBVGFASA-N 2 0 338.536 3.454 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccc(F)cc1 ZINC000441258048 458907368 /nfs/dbraw/zinc/90/73/68/458907368.db2.gz SNOKXVANQXIBFQ-KBAYOESNSA-N 2 0 338.492 3.101 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576864178 458937054 /nfs/dbraw/zinc/93/70/54/458937054.db2.gz PYDYTHMSFQMBJZ-GHTZIAJQSA-N 3 0 329.532 3.219 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000519394357 458942624 /nfs/dbraw/zinc/94/26/24/458942624.db2.gz GAUHMKXXGDKQDR-SJORKVTESA-N 2 0 331.504 3.154 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000531687888 458960878 /nfs/dbraw/zinc/96/08/78/458960878.db2.gz CFRRATJBVNMDED-HRQSHJORSA-N 2 0 329.532 3.142 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)N1CC[NH+](C)CC1 ZINC000531691228 458961681 /nfs/dbraw/zinc/96/16/81/458961681.db2.gz NKFYQCIUBNFITF-MOPGFXCFSA-N 2 0 335.923 3.189 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000531702687 458963995 /nfs/dbraw/zinc/96/39/95/458963995.db2.gz HQDGFGDTYKHVOQ-HRAATJIYSA-N 2 0 347.522 3.312 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3cccc(F)c3[C@H]2C)cc1 ZINC000577165916 458989501 /nfs/dbraw/zinc/98/95/01/458989501.db2.gz GFRTYAPNJXJSHF-PBHICJAKSA-N 2 0 328.431 3.496 20 0 EGADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476982804 459025885 /nfs/dbraw/zinc/02/58/85/459025885.db2.gz KKJLCYMGVGJLDK-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC000442757550 459031808 /nfs/dbraw/zinc/03/18/08/459031808.db2.gz MJRNPOJKLBAXEP-LTIDMASMSA-N 2 0 339.483 3.075 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496028643 459043217 /nfs/dbraw/zinc/04/32/17/459043217.db2.gz TUBRICKDJCNWBQ-CVEARBPZSA-N 2 0 327.513 3.096 20 0 EGADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442868414 459047750 /nfs/dbraw/zinc/04/77/50/459047750.db2.gz CEQVQKGQYXJGNA-UXHICEINSA-N 2 0 329.532 3.247 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000577584700 459054864 /nfs/dbraw/zinc/05/48/64/459054864.db2.gz UCWGGOAFZOCZRD-GWWVYPRNSA-N 2 0 346.515 3.341 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442926004 459061775 /nfs/dbraw/zinc/06/17/75/459061775.db2.gz XCJCKNOBVLRYNA-LBPRGKRZSA-N 2 0 340.393 3.153 20 0 EGADRP CCN(Cc1nc(-c2ccco2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999643 459065232 /nfs/dbraw/zinc/06/52/32/459065232.db2.gz PRLZBJFLIZRHEV-UHFFFAOYSA-N 2 0 340.427 3.413 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120496 459074459 /nfs/dbraw/zinc/07/44/59/459074459.db2.gz HLLHPSYHHCWELD-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000443055259 459077042 /nfs/dbraw/zinc/07/70/42/459077042.db2.gz BADNQFBPBMPYJS-DYESRHJHSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000557535165 459082541 /nfs/dbraw/zinc/08/25/41/459082541.db2.gz SDLBNTFORCTMPI-SFHVURJKSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1 ZINC000532531128 459105850 /nfs/dbraw/zinc/10/58/50/459105850.db2.gz OWVGAARDZMDSMC-HZPDHXFCSA-N 2 0 332.492 3.209 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000577859705 459108578 /nfs/dbraw/zinc/10/85/78/459108578.db2.gz HQZJORQBELQAFI-AWEZNQCLSA-N 2 0 339.430 3.003 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000577865372 459110729 /nfs/dbraw/zinc/11/07/29/459110729.db2.gz XRUYHQHWDARXNO-QGZVFWFLSA-N 2 0 349.544 3.198 20 0 EGADRP Cc1ccnc(N2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)c1 ZINC000532648820 459124017 /nfs/dbraw/zinc/12/40/17/459124017.db2.gz RTJFCNRTRLXYGM-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](CC)c1ccccc1 ZINC000521193595 459128412 /nfs/dbraw/zinc/12/84/12/459128412.db2.gz KDXBWNLEEFDSRO-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000479462234 459141528 /nfs/dbraw/zinc/14/15/28/459141528.db2.gz FTECHDKLMPYSIJ-RBUKOAKNSA-N 2 0 344.499 3.220 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000558292024 459145576 /nfs/dbraw/zinc/14/55/76/459145576.db2.gz BVEHLUZKYNUZJJ-FGTMMUONSA-N 2 0 334.504 3.076 20 0 EGADRP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786174 459220098 /nfs/dbraw/zinc/22/00/98/459220098.db2.gz FNHHDIYLADESGW-SFHVURJKSA-N 2 0 345.531 3.052 20 0 EGADRP c1cn(Cc2ccc(NCc3cnc([C@H]4CCCO4)s3)nc2)cn1 ZINC000578612362 459229473 /nfs/dbraw/zinc/22/94/73/459229473.db2.gz WJIVQQVFGSEWOS-OAHLLOKOSA-N 2 0 341.440 3.247 20 0 EGADRP C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000481153639 459236451 /nfs/dbraw/zinc/23/64/51/459236451.db2.gz JOCKFZAWVBIYEE-QYZOEREBSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000559257668 459245984 /nfs/dbraw/zinc/24/59/84/459245984.db2.gz LQAUJKJEDSNTLL-GXTWGEPZSA-N 2 0 325.294 3.236 20 0 EGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000533867163 459274905 /nfs/dbraw/zinc/27/49/05/459274905.db2.gz SPMWKDJPVAUITJ-INIZCTEOSA-N 2 0 338.480 3.457 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)cc1 ZINC000523455777 459305681 /nfs/dbraw/zinc/30/56/81/459305681.db2.gz KVVCJNPGFQICTP-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C3c4ccccc4-c4ccccc43)C2)nn1 ZINC000582113100 459308912 /nfs/dbraw/zinc/30/89/12/459308912.db2.gz WCNGHROYCZJYBL-MRXNPFEDSA-N 2 0 345.450 3.144 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482485394 459310942 /nfs/dbraw/zinc/31/09/42/459310942.db2.gz BALKKLJXAMTNQE-MOPGFXCFSA-N 2 0 343.559 3.490 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1CC[NH2+]CC1 ZINC000568617160 459316738 /nfs/dbraw/zinc/31/67/38/459316738.db2.gz OQJAVFNHGSSZSG-LLVKDONJSA-N 2 0 329.257 3.108 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560336573 459325001 /nfs/dbraw/zinc/32/50/01/459325001.db2.gz YSYCUUAXQIJNDR-FQEVSTJZSA-N 2 0 348.531 3.095 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000483159057 459346853 /nfs/dbraw/zinc/34/68/53/459346853.db2.gz NPMPLYHEAXRGOO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCN(CCCC)C(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524252006 459353515 /nfs/dbraw/zinc/35/35/15/459353515.db2.gz WVYBSRNJAOTXBM-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP COC1(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCCCC1 ZINC000483300752 459357327 /nfs/dbraw/zinc/35/73/27/459357327.db2.gz ZCHUOZWUOHBOHP-HDICACEKSA-N 2 0 338.536 3.157 20 0 EGADRP C[NH+](C)CCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000560521309 459364897 /nfs/dbraw/zinc/36/48/97/459364897.db2.gz BNYSKHLXRZFFJU-PCCBWWKXSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000560944269 459407822 /nfs/dbraw/zinc/40/78/22/459407822.db2.gz CEYNWJDPUZUPRJ-STQMWFEESA-N 2 0 343.393 3.012 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000497130117 459452372 /nfs/dbraw/zinc/45/23/72/459452372.db2.gz MULWBFWENJWMBR-GJZGRUSLSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078375 459478126 /nfs/dbraw/zinc/47/81/26/459478126.db2.gz YPQMCMGWXOKKKI-PKOBYXMFSA-N 2 0 338.499 3.447 20 0 EGADRP O[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000562061017 459507674 /nfs/dbraw/zinc/50/76/74/459507674.db2.gz DESXQROPHUZUAA-FDFHNCONSA-N 2 0 342.527 3.382 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497317572 459526736 /nfs/dbraw/zinc/52/67/36/459526736.db2.gz YJQIKPRTLJGXKM-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000583497862 459549512 /nfs/dbraw/zinc/54/95/12/459549512.db2.gz LMTTVOIYYVJJLD-HZPDHXFCSA-N 2 0 331.504 3.153 20 0 EGADRP CCC(CC)(CNC(=O)[C@H](C)[NH2+]C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000583497861 459549870 /nfs/dbraw/zinc/54/98/70/459549870.db2.gz LMTTVOIYYVJJLD-HOTGVXAUSA-N 2 0 331.504 3.153 20 0 EGADRP C[C@@H](Cc1ccccc1F)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000526112921 459550686 /nfs/dbraw/zinc/55/06/86/459550686.db2.gz IXQSNCRGHBLKOJ-HNNXBMFYSA-N 2 0 328.435 3.016 20 0 EGADRP c1cnn(-c2cccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)c1 ZINC000526990306 459572749 /nfs/dbraw/zinc/57/27/49/459572749.db2.gz WKKIWOXUKIHNQS-NRFANRHFSA-N 2 0 346.478 3.484 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1)CC(C)C ZINC000499600564 459641594 /nfs/dbraw/zinc/64/15/94/459641594.db2.gz OWMNZGZVNJLGJI-INIZCTEOSA-N 2 0 338.458 3.380 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543433602 459656689 /nfs/dbraw/zinc/65/66/89/459656689.db2.gz GDIAWXPSYWBSQE-OWCLPIDISA-N 2 0 325.541 3.026 20 0 EGADRP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000584239741 459689179 /nfs/dbraw/zinc/68/91/79/459689179.db2.gz KSTWHRJOWMNICK-IAGOWNOFSA-N 2 0 328.500 3.421 20 0 EGADRP COc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000527672230 459694242 /nfs/dbraw/zinc/69/42/42/459694242.db2.gz FDFKSAXAHDWOQV-BZNIZROVSA-N 2 0 328.378 3.286 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527693461 459703032 /nfs/dbraw/zinc/70/30/32/459703032.db2.gz WNQPQWMPLHMUSW-NRFANRHFSA-N 2 0 349.478 3.414 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCC(C3CCC3)CC2)CC[NH2+]CC1 ZINC000596655763 459715961 /nfs/dbraw/zinc/71/59/61/459715961.db2.gz YVVHSUJKIRGMKG-FAEJEUNOSA-N 2 0 336.520 3.256 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H](c1ccccc1)N1CCCC1)Cc1ccc(F)cc1 ZINC000573774947 459731113 /nfs/dbraw/zinc/73/11/13/459731113.db2.gz QZBGJHRWNQRPLX-RTWAWAEBSA-N 2 0 342.458 3.156 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000573990975 459766093 /nfs/dbraw/zinc/76/60/93/459766093.db2.gz CSFFXXXYMHTMHC-NSHDSACASA-N 2 0 344.272 3.366 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)cc1)C1CC1 ZINC000574086562 459777527 /nfs/dbraw/zinc/77/75/27/459777527.db2.gz GIAITLAHFCZOAS-UHFFFAOYSA-N 2 0 337.467 3.060 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cc(F)c(Br)cc1F ZINC000527977193 459786942 /nfs/dbraw/zinc/78/69/42/459786942.db2.gz CONRRHBFEBOHQY-XPTSAGLGSA-N 2 0 333.220 3.157 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC[N@H+](CC2CCC2)CC1)c1ccccc1 ZINC000584729049 459792262 /nfs/dbraw/zinc/79/22/62/459792262.db2.gz CEIPVUGATBMWGM-FQEVSTJZSA-N 2 0 343.515 3.014 20 0 EGADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000566058995 459799175 /nfs/dbraw/zinc/79/91/75/459799175.db2.gz NBFWNUHGFFDLHR-WMZOPIPTSA-N 2 0 327.476 3.060 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000566063384 459799617 /nfs/dbraw/zinc/79/96/17/459799617.db2.gz RQLBPKXAGNSEGY-YOEHRIQHSA-N 2 0 344.421 3.321 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000545160229 459805317 /nfs/dbraw/zinc/80/53/17/459805317.db2.gz PRVCJDZDIPTGIY-FZKQIMNGSA-N 2 0 334.460 3.271 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000566118995 459809835 /nfs/dbraw/zinc/80/98/35/459809835.db2.gz MXODKUOYEVMGEQ-HKUYNNGSSA-N 2 0 348.531 3.045 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(C(=O)OC)cc1 ZINC000593323645 459842324 /nfs/dbraw/zinc/84/23/24/459842324.db2.gz SBKUGEABAGBIMX-SFHVURJKSA-N 2 0 330.403 3.312 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000546016820 459888535 /nfs/dbraw/zinc/88/85/35/459888535.db2.gz ASSJJLOUSGDXMX-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4CC[N@H+](C)C4)n3)cc2)CC1 ZINC000546294752 459908144 /nfs/dbraw/zinc/90/81/44/459908144.db2.gz PZEGVFWGNWKQLP-SFHVURJKSA-N 2 0 340.471 3.388 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000621652060 459997244 /nfs/dbraw/zinc/99/72/44/459997244.db2.gz VCSFESGOYSPGQX-FCEWJHQRSA-N 2 0 349.544 3.027 20 0 EGADRP COC(=O)c1cc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)oc1C ZINC000575819569 460010020 /nfs/dbraw/zinc/01/00/20/460010020.db2.gz SSXSCTVXDVNRJY-AWEZNQCLSA-N 2 0 336.476 3.488 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000599311323 460224563 /nfs/dbraw/zinc/22/45/63/460224563.db2.gz OHFDRLVAHJTEGP-PXNSSMCTSA-N 2 0 343.515 3.162 20 0 EGADRP COC(=O)CCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000599405534 460248451 /nfs/dbraw/zinc/24/84/51/460248451.db2.gz YICUMTVFEAQOOA-INIZCTEOSA-N 2 0 338.517 3.154 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622753218 460305610 /nfs/dbraw/zinc/30/56/10/460305610.db2.gz TZWGVIQUIHLZJC-YLJYHZDGSA-N 2 0 347.547 3.307 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1 ZINC000615310348 460307882 /nfs/dbraw/zinc/30/78/82/460307882.db2.gz VWNTXUSDKMSTLZ-VQIMIIECSA-N 2 0 331.504 3.083 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000615462737 460332590 /nfs/dbraw/zinc/33/25/90/460332590.db2.gz FPWYINQCMKDCDN-FQEVSTJZSA-N 2 0 348.531 3.015 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC1CCCCC1 ZINC000626062606 460358276 /nfs/dbraw/zinc/35/82/76/460358276.db2.gz ZAZHEIXXGGNWIY-QGZVFWFLSA-N 2 0 345.531 3.408 20 0 EGADRP CCC(C)(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000603937881 460362564 /nfs/dbraw/zinc/36/25/64/460362564.db2.gz XAASPLVVQISKQN-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000631666086 460499825 /nfs/dbraw/zinc/49/98/25/460499825.db2.gz ZUGPANOOWPIWQN-KPFFTGBYSA-N 2 0 338.499 3.155 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(C[NH+](C)C)CC3)cc2)C1 ZINC000635348350 460751361 /nfs/dbraw/zinc/75/13/61/460751361.db2.gz FYWCZKLEMPWEDO-INIZCTEOSA-N 2 0 329.488 3.199 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000623886687 460762141 /nfs/dbraw/zinc/76/21/41/460762141.db2.gz IONOXFVCZZMFAG-PZJWPPBQSA-N 2 0 331.548 3.261 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000623893222 460764734 /nfs/dbraw/zinc/76/47/34/460764734.db2.gz JHUCAVLRJGGMAN-WOJBJXKFSA-N 2 0 329.532 3.156 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000629535020 460799828 /nfs/dbraw/zinc/79/98/28/460799828.db2.gz BSSCTNOQAMEACD-NQIIRXRSSA-N 2 0 345.531 3.486 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2nccc3ccccc32)C[C@H](C)O1 ZINC000607167379 460803518 /nfs/dbraw/zinc/80/35/18/460803518.db2.gz MCGIEXURUKMVSG-IRXDYDNUSA-N 2 0 327.472 3.214 20 0 EGADRP c1c(C[NH2+]C2CCC(C3CCCCC3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000629550061 460803577 /nfs/dbraw/zinc/80/35/77/460803577.db2.gz MBRUQGNGMVSPND-TVPLGVNVSA-N 2 0 331.508 3.041 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547499 460804601 /nfs/dbraw/zinc/80/46/01/460804601.db2.gz UDAODSIZVNDVGD-IVMMDQJWSA-N 2 0 325.859 3.036 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561980 460809124 /nfs/dbraw/zinc/80/91/24/460809124.db2.gz MBWSYYGJJBCLRQ-DLBZAZTESA-N 2 0 344.421 3.095 20 0 EGADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000635495044 460811166 /nfs/dbraw/zinc/81/11/66/460811166.db2.gz MGHHNFJSOKLQMJ-UYAOXDASSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+]2C2CCCC2)c1 ZINC000635546038 460826826 /nfs/dbraw/zinc/82/68/26/460826826.db2.gz NFJSEOPYPYMMEJ-HXUWFJFHSA-N 2 0 343.515 3.160 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000635564828 460833104 /nfs/dbraw/zinc/83/31/04/460833104.db2.gz KRFHZWUPIXLFTI-QWFCFKBJSA-N 2 0 347.547 3.116 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120996 460870356 /nfs/dbraw/zinc/87/03/56/460870356.db2.gz LHHQEFQMJZTPJH-IRXDYDNUSA-N 2 0 331.504 3.288 20 0 EGADRP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OC[C@H](O)C[NH3+])cc2)cc1 ZINC000629702751 460876331 /nfs/dbraw/zinc/87/63/31/460876331.db2.gz UKOLSPCAJBIQFY-OXQOHEQNSA-N 2 0 340.467 3.036 20 0 EGADRP C[C@H]1Cc2ccc(-c3ccccc3C[NH+]3CCN(C)CC3)cc2C[NH2+]1 ZINC000629735985 460897080 /nfs/dbraw/zinc/89/70/80/460897080.db2.gz KUUUIWXKFDPRPK-KRWDZBQOSA-N 2 0 335.495 3.135 20 0 EGADRP COc1cc(OC)cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC000629749444 460906713 /nfs/dbraw/zinc/90/67/13/460906713.db2.gz MVXYDXAQOFWKRT-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000613491413 460969307 /nfs/dbraw/zinc/96/93/07/460969307.db2.gz QSKJSFZEEMVVMY-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCCC2 ZINC000608073292 460977563 /nfs/dbraw/zinc/97/75/63/460977563.db2.gz GWDXQLNYSMARQM-PMACEKPBSA-N 2 0 346.515 3.454 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628228423 461054111 /nfs/dbraw/zinc/05/41/11/461054111.db2.gz NVKSPYVOVUTTKQ-UHFFFAOYSA-N 2 0 344.421 3.073 20 0 EGADRP COc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000633373836 461062664 /nfs/dbraw/zinc/06/26/64/461062664.db2.gz MTXHIZNUWJMIQW-UHFFFAOYSA-N 2 0 341.455 3.071 20 0 EGADRP Cc1ccc([C@@H](C)C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000628278444 461069803 /nfs/dbraw/zinc/06/98/03/461069803.db2.gz QQNJGLGPZGELCU-IBGZPJMESA-N 2 0 329.532 3.058 20 0 EGADRP [NH3+]C1(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCC1 ZINC000658987927 461127891 /nfs/dbraw/zinc/12/78/91/461127891.db2.gz ZARLNEDIDGWGOO-UHFFFAOYSA-N 2 0 344.503 3.108 20 0 EGADRP Cc1cccc2[nH]c(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc21 ZINC000668155427 461141001 /nfs/dbraw/zinc/14/10/01/461141001.db2.gz OURBMFXSSVFBBS-UHFFFAOYSA-N 2 0 330.520 3.182 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662248020 461141686 /nfs/dbraw/zinc/14/16/86/461141686.db2.gz QYVVEQAEDVEUFR-UHFFFAOYSA-N 2 0 328.909 3.262 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H]1CC[NH3+] ZINC000652354571 461150902 /nfs/dbraw/zinc/15/09/02/461150902.db2.gz CAMWJZXREXRIAX-FXAWDEMLSA-N 2 0 343.515 3.262 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363442 461157244 /nfs/dbraw/zinc/15/72/44/461157244.db2.gz DZGDMRKWAYZWIW-BMGDILEWSA-N 2 0 338.879 3.209 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000646272874 461165351 /nfs/dbraw/zinc/16/53/51/461165351.db2.gz CQIDOLIXRXUYHN-UHFFFAOYSA-N 2 0 340.471 3.035 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC[C@H]2CCc3ccccc32)C1 ZINC000662284435 461166260 /nfs/dbraw/zinc/16/62/60/461166260.db2.gz NHCVAVNVQGOQJM-UKAVVXHISA-N 2 0 328.500 3.467 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649546828 461167248 /nfs/dbraw/zinc/16/72/48/461167248.db2.gz BHPUVOXPTIZPTQ-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297495 461175592 /nfs/dbraw/zinc/17/55/92/461175592.db2.gz QVBBKFMHRNATQM-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662295642 461176491 /nfs/dbraw/zinc/17/64/91/461176491.db2.gz HJMFTBBDIMQPGX-SFHVURJKSA-N 2 0 340.471 3.257 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000638120850 461252473 /nfs/dbraw/zinc/25/24/73/461252473.db2.gz APUZRNPHDCLWBK-ZOBUZTSGSA-N 2 0 337.533 3.011 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655444383 461254290 /nfs/dbraw/zinc/25/42/90/461254290.db2.gz DVMDVHDVYYUDIU-QUCCMNQESA-N 2 0 327.472 3.001 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC000655444441 461254664 /nfs/dbraw/zinc/25/46/64/461254664.db2.gz WQSXXJWFYXSMEP-PZJWPPBQSA-N 2 0 341.499 3.247 20 0 EGADRP C[C@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662482944 461263144 /nfs/dbraw/zinc/26/31/44/461263144.db2.gz QNRSCLBTJBVALQ-KRWDZBQOSA-N 2 0 349.478 3.026 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2OCCCCO)C[C@@H]1n1ccnc1 ZINC000638170072 461282624 /nfs/dbraw/zinc/28/26/24/461282624.db2.gz CLSZWDUIGIPHRN-HKUYNNGSSA-N 2 0 343.471 3.118 20 0 EGADRP CC[N@H+](CCCNC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000652610491 461299333 /nfs/dbraw/zinc/29/93/33/461299333.db2.gz AEJCXFBYXIUKJP-UHFFFAOYSA-N 2 0 332.492 3.312 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662590217 461308124 /nfs/dbraw/zinc/30/81/24/461308124.db2.gz OHLLRRGMXZATSD-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662673512 461343739 /nfs/dbraw/zinc/34/37/39/461343739.db2.gz MDXZHKNDLVKDCA-SFHVURJKSA-N 2 0 343.515 3.010 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000633953428 461352484 /nfs/dbraw/zinc/35/24/84/461352484.db2.gz JDNCMWUJUWHDHB-KURKYZTESA-N 2 0 335.536 3.115 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](c3ccccc3)C3CCC3)C2)CC1 ZINC000641773272 461362884 /nfs/dbraw/zinc/36/28/84/461362884.db2.gz GIJUPLHKRFLHTI-PZJWPPBQSA-N 2 0 327.516 3.286 20 0 EGADRP COCc1cccc(OCC2(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)CCC2)c1 ZINC000641803003 461379488 /nfs/dbraw/zinc/37/94/88/461379488.db2.gz QRXCAODHDYPOKT-ZWKOTPCHSA-N 2 0 332.488 3.098 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nsc3ccccc32)C1 ZINC000641818386 461387247 /nfs/dbraw/zinc/38/72/47/461387247.db2.gz DBNIOLOLFBOTPU-XYPHTWIQSA-N 2 0 331.485 3.157 20 0 EGADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000655728512 461397698 /nfs/dbraw/zinc/39/76/98/461397698.db2.gz VTCMPANFPZAPOY-YLJYHZDGSA-N 2 0 328.500 3.381 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655745417 461411652 /nfs/dbraw/zinc/41/16/52/461411652.db2.gz QLZKLAILWYDOCW-HXUWFJFHSA-N 2 0 331.504 3.194 20 0 EGADRP Nc1c(F)cccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638448500 461433035 /nfs/dbraw/zinc/43/30/35/461433035.db2.gz DKPWNPXZIMUCLP-QGZVFWFLSA-N 2 0 327.447 3.410 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CS[C@H](C)C3)CC2)cc1 ZINC000638454662 461435826 /nfs/dbraw/zinc/43/58/26/461435826.db2.gz ZVJQLPAHBHUIBH-QAPCUYQASA-N 2 0 334.529 3.391 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000638454661 461436258 /nfs/dbraw/zinc/43/62/58/461436258.db2.gz ZVJQLPAHBHUIBH-MAUKXSAKSA-N 2 0 334.529 3.391 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088530 461450277 /nfs/dbraw/zinc/45/02/77/461450277.db2.gz GOTCZYJURHWRKF-SFHVURJKSA-N 2 0 349.950 3.061 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659852986 461457269 /nfs/dbraw/zinc/45/72/69/461457269.db2.gz RJBFDHUWOOPEQS-GOSISDBHSA-N 2 0 347.528 3.153 20 0 EGADRP C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000655837291 461486789 /nfs/dbraw/zinc/48/67/89/461486789.db2.gz RXZAIOQRPOCMDA-IAGOWNOFSA-N 2 0 327.472 3.304 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638566898 461489205 /nfs/dbraw/zinc/48/92/05/461489205.db2.gz QWYMCQRLNGFPTL-UHFFFAOYSA-N 2 0 338.249 3.022 20 0 EGADRP C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000655844188 461494228 /nfs/dbraw/zinc/49/42/28/461494228.db2.gz PLJGKUCPBMIWLJ-GOSISDBHSA-N 2 0 339.483 3.277 20 0 EGADRP Nc1c(F)cccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000638610988 461505788 /nfs/dbraw/zinc/50/57/88/461505788.db2.gz VASZTJSXSDGUQZ-UHFFFAOYSA-N 2 0 343.446 3.172 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631079524 461529369 /nfs/dbraw/zinc/52/93/69/461529369.db2.gz HWJMPDPSNGKBDW-UHFFFAOYSA-N 2 0 337.423 3.302 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000659990935 461534909 /nfs/dbraw/zinc/53/49/09/461534909.db2.gz RVPFUYOTVRYXPU-SVFBPWRDSA-N 2 0 329.532 3.171 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2cccc(C[NH+](C)C)c2)o1 ZINC000647169835 461537665 /nfs/dbraw/zinc/53/76/65/461537665.db2.gz CVANTNBGWMYVGG-UHFFFAOYSA-N 2 0 338.455 3.340 20 0 EGADRP CN(C(=O)CC[NH2+]CCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000663283504 461541173 /nfs/dbraw/zinc/54/11/73/461541173.db2.gz FXECPNFGHHUDFH-UHFFFAOYSA-N 2 0 331.504 3.284 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638722462 461548221 /nfs/dbraw/zinc/54/82/21/461548221.db2.gz REPWSCWSYIASRZ-AUUYWEPGSA-N 2 0 334.479 3.274 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)C1CCCCC1 ZINC000653200705 461554819 /nfs/dbraw/zinc/55/48/19/461554819.db2.gz MWCMHVKWTHDSBP-IBGZPJMESA-N 2 0 331.504 3.156 20 0 EGADRP OC1(C[NH2+]C2CCC(F)(F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000647218418 461569020 /nfs/dbraw/zinc/56/90/20/461569020.db2.gz LMFYHAKVHSDGKN-UHFFFAOYSA-N 2 0 338.442 3.181 20 0 EGADRP C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000647258176 461593396 /nfs/dbraw/zinc/59/33/96/461593396.db2.gz SXRZWIMFFZNAJU-YJBOKZPZSA-N 2 0 333.545 3.201 20 0 EGADRP CC[C@H](CC(F)F)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151549 461610629 /nfs/dbraw/zinc/61/06/29/461610629.db2.gz UGPRMKIXCLWFNZ-MRXNPFEDSA-N 2 0 331.495 3.158 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647282701 461610588 /nfs/dbraw/zinc/61/05/88/461610588.db2.gz NFYANKZOMHAMCX-WIYYLYMNSA-N 2 0 347.547 3.398 20 0 EGADRP CC(C)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000660156211 461612959 /nfs/dbraw/zinc/61/29/59/461612959.db2.gz QIIYXDDWEISSLG-WIYYLYMNSA-N 2 0 329.532 3.268 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638862208 461624690 /nfs/dbraw/zinc/62/46/90/461624690.db2.gz NXHZTXDLTRJVBX-IEBWSBKVSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000631194747 461635334 /nfs/dbraw/zinc/63/53/34/461635334.db2.gz PBSFBPXRINPJRI-RLLQIKCJSA-N 2 0 328.500 3.446 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663466956 461655860 /nfs/dbraw/zinc/65/58/60/461655860.db2.gz CBZODALILONSBD-RDJZCZTQSA-N 2 0 332.488 3.476 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467552 461656484 /nfs/dbraw/zinc/65/64/84/461656484.db2.gz GRVKEEICENCYCH-APWZRJJASA-N 2 0 344.499 3.448 20 0 EGADRP Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000656230743 461660237 /nfs/dbraw/zinc/66/02/37/461660237.db2.gz ORMNLGZSKHWITN-KRWDZBQOSA-N 2 0 343.446 3.373 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075458 461710959 /nfs/dbraw/zinc/71/09/59/461710959.db2.gz JPYAVUXRNNQXTI-AGKXRFJRSA-N 2 0 328.500 3.495 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647496812 461735221 /nfs/dbraw/zinc/73/52/21/461735221.db2.gz UXZQBOPKLSAUGY-HOCLYGCPSA-N 2 0 338.455 3.393 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522327 461752399 /nfs/dbraw/zinc/75/23/99/461752399.db2.gz LRFSCKUVFLCULY-NHYWBVRUSA-N 2 0 327.241 3.307 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000643534337 461755231 /nfs/dbraw/zinc/75/52/31/461755231.db2.gz RVEPNUABNZJCKR-IAQYHMDHSA-N 2 0 339.277 3.250 20 0 EGADRP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC000647544082 461759276 /nfs/dbraw/zinc/75/92/76/461759276.db2.gz WMXCDIFKNMJSFZ-HOTGVXAUSA-N 2 0 330.501 3.145 20 0 EGADRP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647550290 461763059 /nfs/dbraw/zinc/76/30/59/461763059.db2.gz JTCJVHQLUMRYQQ-TWMKSMIVSA-N 2 0 333.907 3.287 20 0 EGADRP CC1(c2ccccc2)CC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000656499732 461768346 /nfs/dbraw/zinc/76/83/46/461768346.db2.gz ZRIDZQVXUBHULU-NYLDSWQDSA-N 2 0 328.500 3.340 20 0 EGADRP c1cnn(C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c1 ZINC000656502189 461769871 /nfs/dbraw/zinc/76/98/71/461769871.db2.gz JKDSOQSYRABVOD-NRFANRHFSA-N 2 0 347.466 3.278 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786608 461834839 /nfs/dbraw/zinc/83/48/39/461834839.db2.gz UEWLMPHZLHNRRD-JFRXWTBNSA-N 2 0 331.479 3.081 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000647786174 461835026 /nfs/dbraw/zinc/83/50/26/461835026.db2.gz JSZPJKMBEMHDJM-FGTMMUONSA-N 2 0 332.488 3.004 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788587 461835518 /nfs/dbraw/zinc/83/55/18/461835518.db2.gz MNFPUBLJLHJFRG-QHAWAJNXSA-N 3 0 327.516 3.150 20 0 EGADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC000647789858 461836816 /nfs/dbraw/zinc/83/68/16/461836816.db2.gz MTTCAWRAAKYWKJ-IPMKNSEASA-N 2 0 337.467 3.138 20 0 EGADRP Clc1ccc(COCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647794316 461837906 /nfs/dbraw/zinc/83/79/06/461837906.db2.gz XVGIMPQNXSQHMC-IVMMDQJWSA-N 2 0 343.298 3.488 20 0 EGADRP c1ccc(COCCC2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647795709 461838408 /nfs/dbraw/zinc/83/84/08/461838408.db2.gz UHOPPEPZPVABAK-HSALFYBXSA-N 2 0 328.500 3.351 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856392 461839014 /nfs/dbraw/zinc/83/90/14/461839014.db2.gz GJLDHPKXCYLDQG-INIZCTEOSA-N 2 0 332.879 3.374 20 0 EGADRP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796932 461839507 /nfs/dbraw/zinc/83/95/07/461839507.db2.gz RIGDBOJKLHGNEC-JBLDHEPKSA-N 2 0 334.332 3.461 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647878080 461867552 /nfs/dbraw/zinc/86/75/52/461867552.db2.gz OMFYKADPAOEHKY-QGZVFWFLSA-N 2 0 335.455 3.449 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953803 461886740 /nfs/dbraw/zinc/88/67/40/461886740.db2.gz HYWACPSXQVQOBG-YJBOKZPZSA-N 2 0 329.488 3.259 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705704 461898373 /nfs/dbraw/zinc/89/83/73/461898373.db2.gz RUVPLCRLOSBMNF-BJLQDIEVSA-N 2 0 332.488 3.194 20 0 EGADRP c1cn(-c2csc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c2)cn1 ZINC000656786802 461898638 /nfs/dbraw/zinc/89/86/38/461898638.db2.gz QTZNRWYGYKQSIE-MRXNPFEDSA-N 2 0 330.501 3.145 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650706276 461900389 /nfs/dbraw/zinc/90/03/89/461900389.db2.gz HTMGGAYPOKNGOQ-DAYGRLMNSA-N 2 0 338.879 3.067 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3sc(Br)cc3C2)CC[NH2+]1 ZINC000656791030 461901936 /nfs/dbraw/zinc/90/19/36/461901936.db2.gz CZJRHFZDXOSIFD-GHMZBOCLSA-N 2 0 329.307 3.257 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000650708797 461902986 /nfs/dbraw/zinc/90/29/86/461902986.db2.gz NEOVYSPNOOUAQB-RXVVDRJESA-N 2 0 337.467 3.221 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1O ZINC000650716524 461908457 /nfs/dbraw/zinc/90/84/57/461908457.db2.gz BDKGIMAMBHFHCD-ZDUSSCGKSA-N 2 0 332.419 3.110 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718090 461909217 /nfs/dbraw/zinc/90/92/17/461909217.db2.gz XLJDNKRJABAMTN-QGZVFWFLSA-N 2 0 346.446 3.413 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650717857 461909485 /nfs/dbraw/zinc/90/94/85/461909485.db2.gz OPRBDLTXIRMLNG-ZDUSSCGKSA-N 2 0 332.419 3.022 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000650723716 461916524 /nfs/dbraw/zinc/91/65/24/461916524.db2.gz SGDXEZUDPTVSGP-PVAVHDDUSA-N 2 0 326.843 3.340 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976148 461919310 /nfs/dbraw/zinc/91/93/10/461919310.db2.gz KSESALXSHUJWOS-IPMKNSEASA-N 2 0 343.515 3.342 20 0 EGADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977572 461919592 /nfs/dbraw/zinc/91/95/92/461919592.db2.gz DQEHVMBWERFADF-ZWKOTPCHSA-N 2 0 332.488 3.176 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656865962 461927952 /nfs/dbraw/zinc/92/79/52/461927952.db2.gz MDIVVIJEYHQUGN-PUZFROQSSA-N 2 0 332.488 3.207 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650764157 461941973 /nfs/dbraw/zinc/94/19/73/461941973.db2.gz RGPDRECEUYZPJM-HNNXBMFYSA-N 2 0 332.492 3.257 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)CC(F)(F)F ZINC000644532503 461973688 /nfs/dbraw/zinc/97/36/88/461973688.db2.gz YJHWTPOBSKZSOI-KRWDZBQOSA-N 2 0 344.421 3.466 20 0 EGADRP CCc1cccc2cc(C[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)oc21 ZINC000657304538 462031735 /nfs/dbraw/zinc/03/17/35/462031735.db2.gz ZYPUEJZQSYMSPF-HXUWFJFHSA-N 2 0 343.515 3.357 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657313415 462038190 /nfs/dbraw/zinc/03/81/90/462038190.db2.gz QMZNUXUJAZQXDL-NRFANRHFSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683015 462055261 /nfs/dbraw/zinc/05/52/61/462055261.db2.gz QYZKYWKIUWYTEK-HNNXBMFYSA-N 2 0 349.438 3.004 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000657348302 462062346 /nfs/dbraw/zinc/06/23/46/462062346.db2.gz QXWAATFMLHKYRJ-PKOBYXMFSA-N 2 0 334.504 3.310 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc3ccncc3s2)C[C@H](C)O1 ZINC000657367307 462076366 /nfs/dbraw/zinc/07/63/66/462076366.db2.gz OEANWFZKYZYXSO-GJZGRUSLSA-N 2 0 333.501 3.275 20 0 EGADRP Cn1cc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000639726379 462077552 /nfs/dbraw/zinc/07/75/52/462077552.db2.gz VSMBVUYCODCSGN-UHFFFAOYSA-N 2 0 338.499 3.298 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)o1 ZINC000644826201 462092516 /nfs/dbraw/zinc/09/25/16/462092516.db2.gz JBNOHDUZOCEKSK-INIZCTEOSA-N 2 0 347.503 3.068 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000648428777 462115692 /nfs/dbraw/zinc/11/56/92/462115692.db2.gz YMCKTZAMDFEWBK-FPOVZHCZSA-N 2 0 345.531 3.136 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000654309120 462151569 /nfs/dbraw/zinc/15/15/69/462151569.db2.gz VSWUKDCYVBKPMB-WOJBJXKFSA-N 2 0 343.515 3.275 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657538882 462172826 /nfs/dbraw/zinc/17/28/26/462172826.db2.gz XRWCANBPBPXALZ-ZACQAIPSSA-N 2 0 333.907 3.383 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000657563309 462181842 /nfs/dbraw/zinc/18/18/42/462181842.db2.gz LNLRTRVKUQRTHS-FQEVSTJZSA-N 2 0 329.532 3.156 20 0 EGADRP Oc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1Cl ZINC000657612924 462204117 /nfs/dbraw/zinc/20/41/17/462204117.db2.gz FNUPWNAQMGUUBX-UHFFFAOYSA-N 2 0 345.874 3.442 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000657613243 462204319 /nfs/dbraw/zinc/20/43/19/462204319.db2.gz JMFLAKULCWKIRI-WOJBJXKFSA-N 2 0 331.504 3.087 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000648781252 462275204 /nfs/dbraw/zinc/27/52/04/462275204.db2.gz ZUADFGPFWSTGCA-YLJYHZDGSA-N 2 0 343.515 3.019 20 0 EGADRP CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000648796995 462281939 /nfs/dbraw/zinc/28/19/39/462281939.db2.gz AEBVQQVJDOUNKI-UZLBHIALSA-N 2 0 332.488 3.064 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657831990 462288455 /nfs/dbraw/zinc/28/84/55/462288455.db2.gz HQTWGMQRTLLXSM-GOSISDBHSA-N 2 0 337.939 3.277 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2ccncc2s1 ZINC000657869870 462303635 /nfs/dbraw/zinc/30/36/35/462303635.db2.gz AZADQXBFRCRQDH-OAHLLOKOSA-N 2 0 346.544 3.221 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OCC)CC2)[C@@H](C)C1 ZINC000657884204 462307097 /nfs/dbraw/zinc/30/70/97/462307097.db2.gz MXNRTSRRKAFAEJ-RGVPCPSESA-N 2 0 326.525 3.061 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCOC4(CC[NH+](C)CC4)C3)c2c1 ZINC000645385615 462308109 /nfs/dbraw/zinc/30/81/09/462308109.db2.gz LXNQWKUENMUHIC-UHFFFAOYSA-N 2 0 325.456 3.098 20 0 EGADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658066483 462365021 /nfs/dbraw/zinc/36/50/21/462365021.db2.gz AZGALSIAIZZNGT-KRWDZBQOSA-N 2 0 349.544 3.310 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](CC)CCC)cc1)[C@H]1CC[N@H+](C)C1 ZINC000649000949 462367631 /nfs/dbraw/zinc/36/76/31/462367631.db2.gz GIXSPXBGNFWRBR-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCC1 ZINC000665246526 462367694 /nfs/dbraw/zinc/36/76/94/462367694.db2.gz HQQVVYPJIXDGGM-ZCNNSNEGSA-N 2 0 327.516 3.291 20 0 EGADRP [NH3+][C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000665258534 462373642 /nfs/dbraw/zinc/37/36/42/462373642.db2.gz CRVJLZQUSXLOIN-XFWGSAIBSA-N 2 0 325.431 3.006 20 0 EGADRP CC[N@H+](CCCNCc1cnc2c(c1)c(C)nn2C)C1CCCCC1 ZINC000651909310 462377502 /nfs/dbraw/zinc/37/75/02/462377502.db2.gz FUMZCPOUMUSBNJ-UHFFFAOYSA-N 2 0 343.519 3.411 20 0 EGADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000665275309 462380089 /nfs/dbraw/zinc/38/00/89/462380089.db2.gz HIBWRKHDHDEPID-DFQSSKMNSA-N 2 0 330.472 3.037 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000645671108 462391326 /nfs/dbraw/zinc/39/13/26/462391326.db2.gz ABLVYCYSMJSFGB-LJQANCHMSA-N 2 0 343.515 3.065 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000658165729 462414315 /nfs/dbraw/zinc/41/43/15/462414315.db2.gz KYCRASQIIBPRFE-UHFFFAOYSA-N 3 0 344.547 3.146 20 0 EGADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164925 462414998 /nfs/dbraw/zinc/41/49/98/462414998.db2.gz GRMDXCHAVBONBS-FQEVSTJZSA-N 2 0 336.483 3.356 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C12CCC2 ZINC000658168872 462416504 /nfs/dbraw/zinc/41/65/04/462416504.db2.gz ZTBJYUWGFOATSC-WOJBJXKFSA-N 2 0 343.515 3.231 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C12CCC2 ZINC000658168868 462416827 /nfs/dbraw/zinc/41/68/27/462416827.db2.gz ZTBJYUWGFOATSC-VQTJNVASSA-N 2 0 343.515 3.231 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000654947228 462428346 /nfs/dbraw/zinc/42/83/46/462428346.db2.gz RPJCQKLTQGFINR-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP Fc1cccc(F)c1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000645811271 462434651 /nfs/dbraw/zinc/43/46/51/462434651.db2.gz CIOININISMBTNK-UHFFFAOYSA-N 2 0 338.442 3.084 20 0 EGADRP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135068 462445038 /nfs/dbraw/zinc/44/50/38/462445038.db2.gz FETUVNSUTULAOQ-INIZCTEOSA-N 2 0 336.476 3.239 20 0 EGADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000652150208 462451208 /nfs/dbraw/zinc/45/12/08/462451208.db2.gz PGPDCGRYEMZXSN-FQEVSTJZSA-N 2 0 325.456 3.111 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CC2([NH3+])CCC2)CCCC1)c1ccccc1 ZINC000645958941 462478886 /nfs/dbraw/zinc/47/88/86/462478886.db2.gz SFFKEKVQNHLKAK-INIZCTEOSA-N 2 0 329.488 3.038 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000649340669 462481500 /nfs/dbraw/zinc/48/15/00/462481500.db2.gz UISCTVHCXNHVCY-RTWAWAEBSA-N 2 0 329.532 3.456 20 0 EGADRP CC[N@H+](CCC[NH2+][C@@H](C)C1(OC)CCOCC1)C1CCCCC1 ZINC000652237763 462485423 /nfs/dbraw/zinc/48/54/23/462485423.db2.gz CUCOIFYLOAFSEW-KRWDZBQOSA-N 2 0 326.525 3.205 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)[C@H](C)C1 ZINC000658350239 462485472 /nfs/dbraw/zinc/48/54/72/462485472.db2.gz XCRXVQSWQJECPG-QMMLZNLJSA-N 2 0 346.515 3.202 20 0 EGADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000646052026 462504205 /nfs/dbraw/zinc/50/42/05/462504205.db2.gz XOVGSRUOASCFFC-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000646101986 462517975 /nfs/dbraw/zinc/51/79/75/462517975.db2.gz BCIKZYNUSQASAI-UHFFFAOYSA-N 2 0 328.378 3.002 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224679 533795256 /nfs/dbraw/zinc/79/52/56/533795256.db2.gz RGMADFPOHHIJSK-HDICACEKSA-N 2 0 337.552 3.160 20 0 EGADRP CCC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000171678374 527895208 /nfs/dbraw/zinc/89/52/08/527895208.db2.gz DLWSRUFZMGAZAU-UHFFFAOYSA-N 2 0 347.528 3.048 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000154469531 529143866 /nfs/dbraw/zinc/14/38/66/529143866.db2.gz HKXKSXDJXHFHSL-GOSISDBHSA-N 2 0 333.545 3.231 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000154281319 529145314 /nfs/dbraw/zinc/14/53/14/529145314.db2.gz NKUPQIYYBGRTAE-LJQANCHMSA-N 2 0 347.547 3.400 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000344856114 535577177 /nfs/dbraw/zinc/57/71/77/535577177.db2.gz YTAUMXCMSQEUKA-ICSRJNTNSA-N 2 0 341.503 3.258 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000344856116 535594163 /nfs/dbraw/zinc/59/41/63/535594163.db2.gz YTAUMXCMSQEUKA-UYAOXDASSA-N 2 0 341.503 3.258 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1)C1CC1 ZINC000338054755 535782240 /nfs/dbraw/zinc/78/22/40/535782240.db2.gz MPDUBLATGTXCLC-KRWDZBQOSA-N 2 0 343.515 3.133 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000187384095 536777258 /nfs/dbraw/zinc/77/72/58/536777258.db2.gz FWDHDUPNXGUBDT-GOSISDBHSA-N 2 0 326.525 3.014 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121916458 546730520 /nfs/dbraw/zinc/73/05/20/546730520.db2.gz GNOHYXWITNSWRI-CABCVRRESA-N 2 0 329.488 3.416 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)N1CC[NH+](C)CC1 ZINC000134383024 546828361 /nfs/dbraw/zinc/82/83/61/546828361.db2.gz JHOHEGCAPWNVTM-LRDDRELGSA-N 2 0 342.314 3.206 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134388879 546828783 /nfs/dbraw/zinc/82/87/83/546828783.db2.gz OWAOXGPRBZKTLJ-LRDDRELGSA-N 2 0 342.314 3.206 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000153697446 546883489 /nfs/dbraw/zinc/88/34/89/546883489.db2.gz GEMXCRBAVFOWTO-UHFFFAOYSA-N 2 0 342.430 3.303 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000155699515 546905405 /nfs/dbraw/zinc/90/54/05/546905405.db2.gz LNVLRWBLZBWSNX-KRWDZBQOSA-N 2 0 329.532 3.143 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000180645617 547058840 /nfs/dbraw/zinc/05/88/40/547058840.db2.gz ONEMDZNSHVHFDO-FPOVZHCZSA-N 2 0 340.442 3.169 20 0 EGADRP CCOC[C@@H]1CCC[NH+]([C@@H](C)CC[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000245696380 547267773 /nfs/dbraw/zinc/26/77/73/547267773.db2.gz SFHCCKPRXNUXSU-XUVXKRRUSA-N 2 0 340.552 3.262 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000339072144 547568869 /nfs/dbraw/zinc/56/88/69/547568869.db2.gz UADYQNWUQYVLLY-JVPBZIDWSA-N 2 0 327.472 3.313 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602355 /nfs/dbraw/zinc/60/23/55/547602355.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 2 0 329.532 3.348 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000421368027 547880017 /nfs/dbraw/zinc/88/00/17/547880017.db2.gz FQOOUSJFWZZGBU-UHFFFAOYSA-N 2 0 326.444 3.231 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000433124742 547897789 /nfs/dbraw/zinc/89/77/89/547897789.db2.gz FPEZLSWPVNOERG-KLAILNCOSA-N 2 0 349.485 3.361 20 0 EGADRP CO[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441375349 547914670 /nfs/dbraw/zinc/91/46/70/547914670.db2.gz HXIRXQRACJRKKI-QGFMHUBQSA-N 2 0 326.525 3.155 20 0 EGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@@H](C)O1 ZINC000446072589 547924287 /nfs/dbraw/zinc/92/42/87/547924287.db2.gz VBJOKPGRLWMMOB-XNIJUTNWSA-N 2 0 326.525 3.152 20 0 EGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000446072586 547924326 /nfs/dbraw/zinc/92/43/26/547924326.db2.gz VBJOKPGRLWMMOB-BDPHEOEISA-N 2 0 326.525 3.152 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000472137497 547952561 /nfs/dbraw/zinc/95/25/61/547952561.db2.gz AKOBGEGTDMGKPU-IBGZPJMESA-N 2 0 337.511 3.469 20 0 EGADRP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000671497765 548299052 /nfs/dbraw/zinc/29/90/52/548299052.db2.gz YUQIWZFHOZWBPK-LXHROKJGSA-N 2 0 342.527 3.428 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000675741759 548972045 /nfs/dbraw/zinc/97/20/45/548972045.db2.gz HSEPOUFPXPUZHK-HXUWFJFHSA-N 2 0 331.548 3.178 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1Cl ZINC000675742868 548972557 /nfs/dbraw/zinc/97/25/57/548972557.db2.gz XOPRSKIMSWMLSI-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP CCc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000676876691 549170228 /nfs/dbraw/zinc/17/02/28/549170228.db2.gz DKSQLQRNKGUBDD-KRWDZBQOSA-N 2 0 325.456 3.098 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ncccc2C(F)(F)F)C[C@H](C)O1 ZINC000677965001 549367349 /nfs/dbraw/zinc/36/73/49/549367349.db2.gz SYZHRYGCOFDDFG-KBPBESRZSA-N 2 0 345.409 3.079 20 0 EGADRP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCOC1 ZINC000678151896 549412086 /nfs/dbraw/zinc/41/20/86/549412086.db2.gz VMHHISQTRRIFAQ-IBGZPJMESA-N 2 0 332.488 3.020 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000678281984 549458869 /nfs/dbraw/zinc/45/88/69/549458869.db2.gz KOVDDQAVDJOLLQ-RBUKOAKNSA-N 2 0 334.529 3.487 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681138740 549959756 /nfs/dbraw/zinc/95/97/56/549959756.db2.gz YUNVRNIDLIYWBR-WIYYLYMNSA-N 2 0 341.543 3.439 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C1CC1)C1CCCCC1)c1ccccc1 ZINC000681208499 549968161 /nfs/dbraw/zinc/96/81/61/549968161.db2.gz AQDQBHJWFAHXFH-FQEVSTJZSA-N 2 0 343.515 3.203 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000681250283 549972860 /nfs/dbraw/zinc/97/28/60/549972860.db2.gz CIOQMVYVUOPEBB-IEBWSBKVSA-N 2 0 345.531 3.182 20 0 EGADRP C[C@@H]1C[N@@H+](CCCCNc2cc[nH+]c3c(O)cccc23)C[C@H](C)O1 ZINC000682241115 550085465 /nfs/dbraw/zinc/08/54/65/550085465.db2.gz LQLYMERGOBCYKI-GASCZTMLSA-N 2 0 329.444 3.242 20 0 EGADRP C[C@H](CO)[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CCC1 ZINC000685431556 550415608 /nfs/dbraw/zinc/41/56/08/550415608.db2.gz OMVURXPYDXDDDP-GOSISDBHSA-N 2 0 346.515 3.144 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2cnccc2c1 ZINC000685456074 550418270 /nfs/dbraw/zinc/41/82/70/550418270.db2.gz PFYMURMTSIZTMP-NRFANRHFSA-N 2 0 340.515 3.083 20 0 EGADRP CCN(CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000727470885 574669773 /nfs/dbraw/zinc/66/97/73/574669773.db2.gz QPBJCLHIGAXBLQ-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000732275757 575252677 /nfs/dbraw/zinc/25/26/77/575252677.db2.gz AWZDINDHPKKHMX-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000732569306 575276359 /nfs/dbraw/zinc/27/63/59/575276359.db2.gz JXCWAHJLSHMZDI-UHFFFAOYSA-N 2 0 340.467 3.055 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000679219005 576175787 /nfs/dbraw/zinc/17/57/87/576175787.db2.gz PDQVOCMHNFRMJN-NRFANRHFSA-N 2 0 329.532 3.239 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383335802 576254072 /nfs/dbraw/zinc/25/40/72/576254072.db2.gz IOXBLZYHQGNBNB-LPHOPBHVSA-N 2 0 326.488 3.291 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000693032611 1298149717 /nfs/dbraw/zinc/14/97/17/1298149717.db2.gz VQQHRCYBRGVJTO-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)(C)OC(=O)NCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000698111821 1298167706 /nfs/dbraw/zinc/16/77/06/1298167706.db2.gz KUCGIPXODUOVBF-DLBZAZTESA-N 2 0 339.524 3.288 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCC(C)(C)SC)CC2)CC1 ZINC000877595531 1299420980 /nfs/dbraw/zinc/42/09/80/1299420980.db2.gz CZHMONFVVPUVMW-UHFFFAOYSA-N 2 0 327.582 3.010 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=S)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000044132922 1291475350 /nfs/dbraw/zinc/47/53/50/1291475350.db2.gz OWUZBYJHSAYAKV-GOSISDBHSA-N 2 0 348.560 3.299 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(C(C)(C)C)s2)C[C@H](C)O1 ZINC000062252788 1291984572 /nfs/dbraw/zinc/98/45/72/1291984572.db2.gz WDCDLHGTKBSFJO-GJZGRUSLSA-N 2 0 339.549 3.420 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(C(C)(C)C)s2)C[C@H](C)O1 ZINC000067452579 1292160695 /nfs/dbraw/zinc/16/06/95/1292160695.db2.gz WDCDLHGTKBSFJO-GASCZTMLSA-N 2 0 339.549 3.420 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccccn3)CC2)c1 ZINC000075755956 1292408336 /nfs/dbraw/zinc/40/83/36/1292408336.db2.gz KEGAEYBEFSJZAO-UHFFFAOYSA-N 2 0 338.499 3.082 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000075763040 1292409567 /nfs/dbraw/zinc/40/95/67/1292409567.db2.gz ZKGCVOHRNIXLLT-QGZVFWFLSA-N 2 0 343.437 3.067 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccc(C[NH3+])c1)c1ccccc1 ZINC000828614760 1292483581 /nfs/dbraw/zinc/48/35/81/1292483581.db2.gz KWZMZHGAAOSFRX-OAHLLOKOSA-N 2 0 325.456 3.005 20 0 EGADRP CC(C)c1noc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000089577806 1292772069 /nfs/dbraw/zinc/77/20/69/1292772069.db2.gz CBZVIKVCXJZQAV-OAHLLOKOSA-N 2 0 346.475 3.027 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCCCC[NH3+])CC1 ZINC000831132956 1292816685 /nfs/dbraw/zinc/81/66/85/1292816685.db2.gz OMGMWUPTSKSYIZ-KRWDZBQOSA-N 2 0 346.519 3.030 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000105451585 1293037799 /nfs/dbraw/zinc/03/77/99/1293037799.db2.gz ZKJXJWYUCPKCML-UHFFFAOYSA-N 2 0 343.437 3.069 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000105459174 1293040124 /nfs/dbraw/zinc/04/01/24/1293040124.db2.gz ONUIXNGRMHXGMJ-UHFFFAOYSA-N 2 0 346.906 3.325 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1)c1ccccc1 ZINC000119917270 1293294712 /nfs/dbraw/zinc/29/47/12/1293294712.db2.gz WSXWUCFLKRQKLV-KRWDZBQOSA-N 2 0 343.515 3.251 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000120807689 1293340252 /nfs/dbraw/zinc/34/02/52/1293340252.db2.gz HTKSNLHALAUOEY-LJQANCHMSA-N 2 0 325.456 3.092 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000121584284 1293379509 /nfs/dbraw/zinc/37/95/09/1293379509.db2.gz KHVFBIRATBBRJS-SJORKVTESA-N 2 0 334.504 3.346 20 0 EGADRP CC(C)Oc1ccccc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136212398 1293812266 /nfs/dbraw/zinc/81/22/66/1293812266.db2.gz XKURGDGEDZELKD-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000152832880 1293986259 /nfs/dbraw/zinc/98/62/59/1293986259.db2.gz KSHFNNYYQYOMDW-FQEVSTJZSA-N 2 0 345.531 3.078 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000163122148 1294328351 /nfs/dbraw/zinc/32/83/51/1294328351.db2.gz UKSRJDOIZVXWMQ-UHFFFAOYSA-N 2 0 334.552 3.393 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166798648 1294363419 /nfs/dbraw/zinc/36/34/19/1294363419.db2.gz FKCXNJVAPOENSZ-QBPKDAKJSA-N 2 0 337.508 3.039 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)ccc1OC ZINC000182963806 1295088897 /nfs/dbraw/zinc/08/88/97/1295088897.db2.gz LOUOADMXNXAPAZ-SNRMKQJTSA-N 2 0 334.504 3.491 20 0 EGADRP CCOC(C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1)OCC ZINC000184962924 1295232847 /nfs/dbraw/zinc/23/28/47/1295232847.db2.gz ZUBNAMUOXGKRQF-UHFFFAOYSA-N 2 0 334.504 3.230 20 0 EGADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000870865591 1296121567 /nfs/dbraw/zinc/12/15/67/1296121567.db2.gz DSUVRADUIDEMLW-QGTPRVQTSA-N 2 0 349.906 3.111 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000222890190 1296131496 /nfs/dbraw/zinc/13/14/96/1296131496.db2.gz AGEZIXSYBDJRME-HOTGVXAUSA-N 2 0 327.513 3.144 20 0 EGADRP O=C(CC[NH2+]CC1CC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000870949345 1296148731 /nfs/dbraw/zinc/14/87/31/1296148731.db2.gz BDYFOALQBUTOAF-UHFFFAOYSA-N 2 0 347.528 3.203 20 0 EGADRP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000870949893 1296148853 /nfs/dbraw/zinc/14/88/53/1296148853.db2.gz TVLUYPLMZMEHMW-WKILWMFISA-N 2 0 347.528 3.331 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000248627401 1296421978 /nfs/dbraw/zinc/42/19/78/1296421978.db2.gz GFGGQNBVKBCMNP-IKGGRYGDSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261753581 1296600264 /nfs/dbraw/zinc/60/02/64/1296600264.db2.gz CIUUEWATBOYFQF-MRXNPFEDSA-N 2 0 338.377 3.266 20 0 EGADRP FC(F)(F)COc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261930127 1296610790 /nfs/dbraw/zinc/61/07/90/1296610790.db2.gz CRBHNXQVDUZAFD-UHFFFAOYSA-N 2 0 328.378 3.203 20 0 EGADRP C[N@H+](CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000302885428 1296807138 /nfs/dbraw/zinc/80/71/38/1296807138.db2.gz SQQYXAYVXMATIB-IBGZPJMESA-N 2 0 332.875 3.485 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000305160698 1296989883 /nfs/dbraw/zinc/98/98/83/1296989883.db2.gz RIJFJADQJOIAFK-LEWJYISDSA-N 2 0 346.515 3.333 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308387363 1297069258 /nfs/dbraw/zinc/06/92/58/1297069258.db2.gz FTDZCBPMJWSEKQ-ZCNNSNEGSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@]1(C[NH2+]C[C@H](O)c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000310889659 1297104080 /nfs/dbraw/zinc/10/40/80/1297104080.db2.gz KGKMGQHAXCCULC-LEWJYISDSA-N 2 0 342.458 3.361 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340535626 1297314258 /nfs/dbraw/zinc/31/42/58/1297314258.db2.gz VNZRPNJLKAWSDY-GTAWCEEGSA-N 2 0 345.535 3.395 20 0 EGADRP c1c(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873212309 1297355427 /nfs/dbraw/zinc/35/54/27/1297355427.db2.gz ZLUZNUNXOIQSFE-HNNXBMFYSA-N 2 0 327.497 3.010 20 0 EGADRP Fc1ccc([C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000873265074 1297399154 /nfs/dbraw/zinc/39/91/54/1297399154.db2.gz STUGLOZDNBAYIT-GVZBARQTSA-N 2 0 325.431 3.430 20 0 EGADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000873283116 1297408786 /nfs/dbraw/zinc/40/87/86/1297408786.db2.gz YTRIVELAJXDKDJ-RWMBFGLXSA-N 2 0 334.407 3.014 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000873282241 1297409798 /nfs/dbraw/zinc/40/97/98/1297409798.db2.gz GLFLBCPHBJMXGC-QUCCMNQESA-N 2 0 338.499 3.066 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000873289165 1297410617 /nfs/dbraw/zinc/41/06/17/1297410617.db2.gz GEHKOUVWDUOUNN-JSGCOSHPSA-N 2 0 326.843 3.288 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2ccccc2n1 ZINC000873289978 1297412694 /nfs/dbraw/zinc/41/26/94/1297412694.db2.gz AFBLWJNWFUXPRS-RDJZCZTQSA-N 2 0 325.456 3.044 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(C)ccc1OC ZINC000873291942 1297414500 /nfs/dbraw/zinc/41/45/00/1297414500.db2.gz OIGBSFFMQUGHCN-FUHWJXTLSA-N 2 0 332.488 3.203 20 0 EGADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293456 1297415694 /nfs/dbraw/zinc/41/56/94/1297415694.db2.gz MWNGBACGEFZNLM-NVXWUHKLSA-N 2 0 334.529 3.088 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000382876284 1297565122 /nfs/dbraw/zinc/56/51/22/1297565122.db2.gz LGSVPTPTJCPDMQ-UHFFFAOYSA-N 2 0 341.540 3.484 20 0 EGADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396466139 1297688136 /nfs/dbraw/zinc/68/81/36/1297688136.db2.gz SWJLLAHKMRLEHD-HOTGVXAUSA-N 2 0 341.540 3.390 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399092505 1297723679 /nfs/dbraw/zinc/72/36/79/1297723679.db2.gz UNKIHWRPHSMRMB-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCC2 ZINC000453099690 1297890036 /nfs/dbraw/zinc/89/00/36/1297890036.db2.gz WRAOJGKCFMSMGO-RTBURBONSA-N 2 0 332.488 3.064 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000453204792 1297893593 /nfs/dbraw/zinc/89/35/93/1297893593.db2.gz DFLWSRMQJHFWOA-WOJBJXKFSA-N 2 0 344.499 3.207 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C/C=C\Cl)CC1 ZINC000588382495 1298054373 /nfs/dbraw/zinc/05/43/73/1298054373.db2.gz GCPQQTILOAFZOX-HJHHMULASA-N 2 0 325.859 3.371 20 0 EGADRP CC(C)[C@@H](O)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000691898612 1298138814 /nfs/dbraw/zinc/13/88/14/1298138814.db2.gz MTXGSLNJLCPRDT-FQEVSTJZSA-N 2 0 330.516 3.382 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCN(C[C@H]4CCC[NH2+]4)CC3)CC2)cc1 ZINC000691920301 1298139009 /nfs/dbraw/zinc/13/90/09/1298139009.db2.gz YNVNMQIKABVFSQ-HXUWFJFHSA-N 2 0 327.516 3.117 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695207610 1298159443 /nfs/dbraw/zinc/15/94/43/1298159443.db2.gz XPLWIABAPXNWFV-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000723701401 1298341833 /nfs/dbraw/zinc/34/18/33/1298341833.db2.gz BGQZTEHHNIJUTB-GFCCVEGCSA-N 2 0 334.261 3.168 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CC2(C)CCN(C(=O)OCC)CC2)CC1 ZINC000876623500 1298877970 /nfs/dbraw/zinc/87/79/70/1298877970.db2.gz JPZSJSFZEOUKBE-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc1 ZINC000877007080 1299111802 /nfs/dbraw/zinc/11/18/02/1299111802.db2.gz CHQZPDNVUALOAS-CQSZACIVSA-N 2 0 331.287 3.301 20 0 EGADRP C[C@]([NH3+])(C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)c1ccccc1 ZINC000877451045 1299310308 /nfs/dbraw/zinc/31/03/08/1299310308.db2.gz IVGTZNSSJWFGOU-LKUPVBHCSA-N 2 0 343.515 3.007 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2C1 ZINC000751019802 1299498421 /nfs/dbraw/zinc/49/84/21/1299498421.db2.gz LCSCRDKMSLMCRD-UHFFFAOYSA-N 2 0 346.544 3.183 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CS1 ZINC000754124917 1300092227 /nfs/dbraw/zinc/09/22/27/1300092227.db2.gz UNEIDOFBVCHOSW-ULQDDVLXSA-N 2 0 326.550 3.140 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000756115029 1300441310 /nfs/dbraw/zinc/44/13/10/1300441310.db2.gz BHNBVKQWIBEJRJ-UHFFFAOYSA-N 2 0 348.491 3.250 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000879591905 1300617096 /nfs/dbraw/zinc/61/70/96/1300617096.db2.gz FJZZZGYWLRUPDX-UHFFFAOYSA-N 2 0 347.506 3.468 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCC2CC(O)C2)ccc1OC ZINC000762644193 1301719783 /nfs/dbraw/zinc/71/97/83/1301719783.db2.gz LNAGJNNHHMIQMW-LYGPFTKASA-N 2 0 334.504 3.349 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1CCC(OCCC[NH+](C)C)CC1 ZINC000765517523 1302278318 /nfs/dbraw/zinc/27/83/18/1302278318.db2.gz OUCCSXBTGAZDFT-UHFFFAOYSA-N 2 0 343.471 3.181 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N(C)CC)[C@@H](C)C1 ZINC000765851106 1302341213 /nfs/dbraw/zinc/34/12/13/1302341213.db2.gz YEYURVYJGKDVDQ-ICSRJNTNSA-N 2 0 347.547 3.369 20 0 EGADRP Cc1c(C[NH+]2CCC(C[NH+](C)C)CC2)sc2nc(C)nc(C)c12 ZINC000768304176 1302876825 /nfs/dbraw/zinc/87/68/25/1302876825.db2.gz YAURLKRGRAAJNH-UHFFFAOYSA-N 2 0 332.517 3.390 20 0 EGADRP C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000886104496 1303354983 /nfs/dbraw/zinc/35/49/83/1303354983.db2.gz DGTRVSGNFRHQRC-PKOBYXMFSA-N 2 0 336.520 3.101 20 0 EGADRP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[C@@H]([N@@H+](C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000886389713 1303453788 /nfs/dbraw/zinc/45/37/88/1303453788.db2.gz VHVVLQMMCSNVTB-FXYHRWFLSA-N 2 0 338.536 3.296 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000886422608 1303462480 /nfs/dbraw/zinc/46/24/80/1303462480.db2.gz UGHCPXOCJDXVOG-NRFANRHFSA-N 2 0 331.548 3.259 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000886601145 1303518144 /nfs/dbraw/zinc/51/81/44/1303518144.db2.gz LDBRNVSOGPURNB-UHFFFAOYSA-N 2 0 336.520 3.306 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000773034319 1303612738 /nfs/dbraw/zinc/61/27/38/1303612738.db2.gz AOZXHHNOOPEZNY-PRXAMGSTSA-N 2 0 328.859 3.221 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)Cc1ccccc1 ZINC000775367080 1303947636 /nfs/dbraw/zinc/94/76/36/1303947636.db2.gz VUVMKAZUSDLENF-SQNIBIBYSA-N 2 0 336.570 3.478 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCN2CCC2)cc1C[NH+]1CCCCC1 ZINC000775415831 1303961672 /nfs/dbraw/zinc/96/16/72/1303961672.db2.gz OBUUWHVNVJFIRR-KRWDZBQOSA-N 2 0 331.504 3.037 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2cnccn2)ccc1OC ZINC000775420476 1303962048 /nfs/dbraw/zinc/96/20/48/1303962048.db2.gz XPVXWTGGEYVURO-MRXNPFEDSA-N 2 0 342.487 3.220 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC(C)(C)O)cc1C[NH+]1CCCCC1 ZINC000775585095 1303988053 /nfs/dbraw/zinc/98/80/53/1303988053.db2.gz CUNDCLLHWZNCRS-MRXNPFEDSA-N 2 0 334.504 3.493 20 0 EGADRP c1csc(N2CCC([NH2+]C3CCC([NH+]4CCCCC4)CC3)CC2)n1 ZINC000781518581 1304838023 /nfs/dbraw/zinc/83/80/23/1304838023.db2.gz NBTKHTDWIJKABK-UHFFFAOYSA-N 2 0 348.560 3.499 20 0 EGADRP C[N@H+](CCC[NH+]1CCCCC1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000781900417 1304888951 /nfs/dbraw/zinc/88/89/51/1304888951.db2.gz ZBAIKUCADLPSRE-UHFFFAOYSA-N 2 0 341.540 3.345 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccnc(Cl)c1 ZINC000781922399 1304892498 /nfs/dbraw/zinc/89/24/98/1304892498.db2.gz HIIWHDQAZXSFMI-KSSFIOAISA-N 2 0 345.874 3.152 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000783325239 1305081024 /nfs/dbraw/zinc/08/10/24/1305081024.db2.gz GLPKCYNNETWAHC-YVSFHVDLSA-N 2 0 339.524 3.142 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000892570064 1305445698 /nfs/dbraw/zinc/44/56/98/1305445698.db2.gz HJFNJEORFXDQFJ-QZTJIDSGSA-N 2 0 334.504 3.202 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786783641 1305628744 /nfs/dbraw/zinc/62/87/44/1305628744.db2.gz NBLDWOYLLQTXON-DLBZAZTESA-N 2 0 344.503 3.131 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786783644 1305629292 /nfs/dbraw/zinc/62/92/92/1305629292.db2.gz NBLDWOYLLQTXON-SJORKVTESA-N 2 0 344.503 3.131 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000893086382 1305698333 /nfs/dbraw/zinc/69/83/33/1305698333.db2.gz OZMWZJZVMPCZHN-BDJLRTHQSA-N 2 0 331.287 3.347 20 0 EGADRP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC1CC[NH+](C)CC1 ZINC000893191555 1305753447 /nfs/dbraw/zinc/75/34/47/1305753447.db2.gz NWJHRXVVGMFXIQ-KRWDZBQOSA-N 2 0 325.884 3.214 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000893226435 1305772400 /nfs/dbraw/zinc/77/24/00/1305772400.db2.gz RDONGAISKSOTPG-PKOBYXMFSA-N 2 0 339.483 3.481 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000893327502 1305832825 /nfs/dbraw/zinc/83/28/25/1305832825.db2.gz KHYMTUXMVNARHY-GOSISDBHSA-N 2 0 334.504 3.060 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000894292549 1306324770 /nfs/dbraw/zinc/32/47/70/1306324770.db2.gz ASSOBMUQEQMCEL-INIZCTEOSA-N 2 0 338.293 3.227 20 0 EGADRP CCc1onc(C)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000894302454 1306331540 /nfs/dbraw/zinc/33/15/40/1306331540.db2.gz TZVZTUKLXSVDQP-UHFFFAOYSA-N 2 0 343.471 3.308 20 0 EGADRP C[NH+](C)[C@H]1CCN(c2ccc(NCc3nccc4ccccc43)nc2)C1 ZINC000894360019 1306360262 /nfs/dbraw/zinc/36/02/62/1306360262.db2.gz SFHVMYLWKMAZPR-SFHVURJKSA-N 2 0 347.466 3.382 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000790747805 1308858577 /nfs/dbraw/zinc/85/85/77/1308858577.db2.gz GSAYVBVYICFFSE-CABCVRRESA-N 2 0 346.462 3.065 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000894742849 1309045845 /nfs/dbraw/zinc/04/58/45/1309045845.db2.gz JYQXTBFSSZZXRD-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000895769830 1309511587 /nfs/dbraw/zinc/51/15/87/1309511587.db2.gz QUJJRQRIRHGZEH-GOSISDBHSA-N 2 0 331.504 3.017 20 0 EGADRP C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000897969043 1310532980 /nfs/dbraw/zinc/53/29/80/1310532980.db2.gz CHQSXBJYGHCOCS-SFHVURJKSA-N 2 0 339.483 3.277 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3O)CC2)C1 ZINC000898391899 1310707426 /nfs/dbraw/zinc/70/74/26/1310707426.db2.gz MJAKRIXJJGFNPG-NSGGIEJNSA-N 2 0 328.500 3.277 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3O)CC2)C1 ZINC000898391894 1310708271 /nfs/dbraw/zinc/70/82/71/1310708271.db2.gz MJAKRIXJJGFNPG-FCXXMXSZSA-N 2 0 328.500 3.277 20 0 EGADRP Fc1cccc(OCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000898444783 1310737963 /nfs/dbraw/zinc/73/79/63/1310737963.db2.gz LZRYAJBXGJFOLU-UHFFFAOYSA-N 2 0 329.419 3.248 20 0 EGADRP Fc1cccc(OCCC[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000898444789 1310738490 /nfs/dbraw/zinc/73/84/90/1310738490.db2.gz MATZGLFJBSXGEF-UHFFFAOYSA-N 2 0 329.419 3.248 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000898704504 1310827514 /nfs/dbraw/zinc/82/75/14/1310827514.db2.gz VJEYOBVVHYBTGX-RTBURBONSA-N 2 0 331.504 3.446 20 0 EGADRP CC(C)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1ccccc1 ZINC000839070547 1320862034 /nfs/dbraw/zinc/86/20/34/1320862034.db2.gz VUMYFFVRQKXKAX-LEWJYISDSA-N 2 0 339.483 3.398 20 0 EGADRP CSC1(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CC[NH+](C)CC1 ZINC000857913694 1328622973 /nfs/dbraw/zinc/62/29/73/1328622973.db2.gz WVWHQHRQMLXBJO-ZDUSSCGKSA-N 2 0 325.909 3.139 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018967323 1316988324 /nfs/dbraw/zinc/98/83/24/1316988324.db2.gz ABFXRJSWIBJMBF-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019044046 1317020848 /nfs/dbraw/zinc/02/08/48/1317020848.db2.gz NVDDQWCSSVNHHY-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001019071817 1317033578 /nfs/dbraw/zinc/03/35/78/1317033578.db2.gz BYBJGXPXECCZPM-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001019337392 1317175539 /nfs/dbraw/zinc/17/55/39/1317175539.db2.gz HSXAXSRPPDJOLQ-WSTZPKSXSA-N 2 0 345.531 3.141 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001019337391 1317175828 /nfs/dbraw/zinc/17/58/28/1317175828.db2.gz HSXAXSRPPDJOLQ-CMKODMSKSA-N 2 0 345.531 3.141 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC000957279209 1317258148 /nfs/dbraw/zinc/25/81/48/1317258148.db2.gz UEBQDEPGTABMAX-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000900713347 1317327307 /nfs/dbraw/zinc/32/73/07/1317327307.db2.gz YZDFLICUVVVFHG-WCIQWLHISA-N 2 0 347.547 3.116 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000957424283 1317348740 /nfs/dbraw/zinc/34/87/40/1317348740.db2.gz MUSCEGFAUCNILE-AFMYVXGZSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000901188626 1317391733 /nfs/dbraw/zinc/39/17/33/1317391733.db2.gz VMQXBTWKIIPZOA-GHBBCFCZSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957560227 1317457683 /nfs/dbraw/zinc/45/76/83/1317457683.db2.gz UXCYRGZHNPWHMM-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957560936 1317458942 /nfs/dbraw/zinc/45/89/42/1317458942.db2.gz AQRXELLLANSZSP-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CCC(C)C)CC2)[NH+](C)C ZINC000957568803 1317467680 /nfs/dbraw/zinc/46/76/80/1317467680.db2.gz QLIQATSYKLTNLV-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957568893 1317467722 /nfs/dbraw/zinc/46/77/22/1317467722.db2.gz SDSXUFSNBCLANB-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000806172735 1317469183 /nfs/dbraw/zinc/46/91/83/1317469183.db2.gz SMQJJUBTHIEGDT-KCXAZCMYSA-N 2 0 330.394 3.059 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)C1 ZINC000902389235 1317571189 /nfs/dbraw/zinc/57/11/89/1317571189.db2.gz TVVFVTFQYAEAJV-MJGOQNOKSA-N 2 0 328.500 3.448 20 0 EGADRP CC1(C)CC(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001020240179 1317605273 /nfs/dbraw/zinc/60/52/73/1317605273.db2.gz ZOKOBTGGJYSXCA-ZHALLVOQSA-N 2 0 347.547 3.066 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020339523 1317652097 /nfs/dbraw/zinc/65/20/97/1317652097.db2.gz SKBRZSISVGHQNK-AFYVEPGGSA-N 2 0 343.515 3.105 20 0 EGADRP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+](C)Cc1ccccc1 ZINC000903092840 1317652407 /nfs/dbraw/zinc/65/24/07/1317652407.db2.gz NGXIUAVIXHEHTF-TYGFWLQKSA-N 2 0 327.516 3.254 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000903127954 1317659472 /nfs/dbraw/zinc/65/94/72/1317659472.db2.gz PBQIYELDWJSUPQ-HKVKCEJTSA-N 2 0 332.513 3.232 20 0 EGADRP COCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903164449 1317666469 /nfs/dbraw/zinc/66/64/69/1317666469.db2.gz HRFYKNLGTXYFNM-CTXDPNEZSA-N 2 0 344.499 3.349 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@@H](C)C1 ZINC000903244666 1317681640 /nfs/dbraw/zinc/68/16/40/1317681640.db2.gz ARMMGBRCCPFWMB-HKUYNNGSSA-N 2 0 340.552 3.166 20 0 EGADRP c1ccc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)ccc2c1 ZINC000903509187 1317706931 /nfs/dbraw/zinc/70/69/31/1317706931.db2.gz DAPXHIZJLQTZSR-SZPZYZBQSA-N 2 0 335.495 3.240 20 0 EGADRP c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903725807 1317725734 /nfs/dbraw/zinc/72/57/34/1317725734.db2.gz HVXGVTYVEPUVFW-PMACEKPBSA-N 2 0 328.500 3.415 20 0 EGADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731772 1317726972 /nfs/dbraw/zinc/72/69/72/1317726972.db2.gz CQUOXDDSDYGXKP-OTWHNJEPSA-N 2 0 328.500 3.332 20 0 EGADRP Clc1ccc(C2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903751440 1317729761 /nfs/dbraw/zinc/72/97/61/1317729761.db2.gz FDBYWBLJRYQSLY-RTBURBONSA-N 2 0 334.891 3.288 20 0 EGADRP COc1ccccc1OCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793123 1317734844 /nfs/dbraw/zinc/73/48/44/1317734844.db2.gz NSQAFCYCRAMFQQ-UHFFFAOYSA-N 2 0 340.467 3.067 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000903793050 1317735558 /nfs/dbraw/zinc/73/55/58/1317735558.db2.gz LMZMGSUGGAKAEP-UHFFFAOYSA-N 2 0 325.456 3.046 20 0 EGADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000903829810 1317739279 /nfs/dbraw/zinc/73/92/79/1317739279.db2.gz LIXZODCGTKNPRC-LJQANCHMSA-N 2 0 329.532 3.363 20 0 EGADRP [NH3+][C@H](CNCc1ccccc1C[NH+]1CCCCCC1)CC(F)F ZINC000903920745 1317749288 /nfs/dbraw/zinc/74/92/88/1317749288.db2.gz LJAJWROJEOHUPF-KRWDZBQOSA-N 2 0 325.447 3.135 20 0 EGADRP c1c(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000903947569 1317753660 /nfs/dbraw/zinc/75/36/60/1317753660.db2.gz AZBFHSXBENQANA-MRXNPFEDSA-N 2 0 334.529 3.423 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973403 1317759685 /nfs/dbraw/zinc/75/96/85/1317759685.db2.gz COQYHIQBGCGEJR-UKRRQHHQSA-N 2 0 332.879 3.169 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H](N)CC3CC3)n2)cc1 ZINC000904100306 1317788571 /nfs/dbraw/zinc/78/85/71/1317788571.db2.gz AMFPTSZACIUBER-KRWDZBQOSA-N 2 0 344.459 3.257 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001020591482 1317791891 /nfs/dbraw/zinc/79/18/91/1317791891.db2.gz OVGUIRJORUBQCE-FCGDIQPGSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](C[NH2+]C1CC(C[NH3+])C1)Sc1ccc(Br)cc1 ZINC000904360473 1317835968 /nfs/dbraw/zinc/83/59/68/1317835968.db2.gz LFZFFTHVQSTRFY-ZBOXLXRLSA-N 2 0 329.307 3.257 20 0 EGADRP CC(=O)Nc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416983 1317845043 /nfs/dbraw/zinc/84/50/43/1317845043.db2.gz VWSPSHBRMKJVIK-QGZVFWFLSA-N 2 0 329.488 3.247 20 0 EGADRP CC(=O)Nc1ccccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458873 1317850377 /nfs/dbraw/zinc/85/03/77/1317850377.db2.gz IHYOTHULGFUJGV-UHFFFAOYSA-N 2 0 337.467 3.138 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020675957 1317851873 /nfs/dbraw/zinc/85/18/73/1317851873.db2.gz MNANXXGIIBPDGN-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001020675665 1317852191 /nfs/dbraw/zinc/85/21/91/1317852191.db2.gz AGCGXAUEXOCRED-KZNAEPCWSA-N 2 0 349.544 3.056 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001020676021 1317852834 /nfs/dbraw/zinc/85/28/34/1317852834.db2.gz OHYKWTPSZHDLDF-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001020679368 1317857587 /nfs/dbraw/zinc/85/75/87/1317857587.db2.gz NRHOTYMSHBECGU-WGSAOQKQSA-N 2 0 349.563 3.172 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001020818511 1317947657 /nfs/dbraw/zinc/94/76/57/1317947657.db2.gz PYHUTQRPJDYNPP-WGSAOQKQSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001021089954 1318078670 /nfs/dbraw/zinc/07/86/70/1318078670.db2.gz DODTWLYYKISGJC-PSBWJHGTSA-N 2 0 335.536 3.066 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001021096378 1318081057 /nfs/dbraw/zinc/08/10/57/1318081057.db2.gz PZVQNZNCOAHMAT-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001021211017 1318141772 /nfs/dbraw/zinc/14/17/72/1318141772.db2.gz PGAGJCLNXZGKHZ-RAFMOHDBSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001021211285 1318142422 /nfs/dbraw/zinc/14/24/22/1318142422.db2.gz UNDZZRIUOWNNEO-RAFMOHDBSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001021299933 1318177035 /nfs/dbraw/zinc/17/70/35/1318177035.db2.gz YOCVEUPLXFQIPB-RAFMOHDBSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001021302537 1318178478 /nfs/dbraw/zinc/17/84/78/1318178478.db2.gz JTYBQFBCMHTPOP-RAFMOHDBSA-N 2 0 345.531 3.083 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001021303485 1318179518 /nfs/dbraw/zinc/17/95/18/1318179518.db2.gz XPCNPFUWCXROSB-IPQPSQTFSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907283761 1318207127 /nfs/dbraw/zinc/20/71/27/1318207127.db2.gz HVFWTLQITLEEKJ-IRXDYDNUSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001021461425 1318266207 /nfs/dbraw/zinc/26/62/07/1318266207.db2.gz IAQLTFLOZKCFJH-IHWFROFDSA-N 2 0 347.547 3.164 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC000960013369 1318310914 /nfs/dbraw/zinc/31/09/14/1318310914.db2.gz MSPHYPBEEHGJEY-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)C1 ZINC000908504472 1318356731 /nfs/dbraw/zinc/35/67/31/1318356731.db2.gz YJYOEQDAJICMHN-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC000960132159 1318374009 /nfs/dbraw/zinc/37/40/09/1318374009.db2.gz SGMJIWWUUVPGHP-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605786 1318452966 /nfs/dbraw/zinc/45/29/66/1318452966.db2.gz NMNHOHAMBXURKX-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@@H+]1C ZINC000960646427 1318766247 /nfs/dbraw/zinc/76/62/47/1318766247.db2.gz YLUUBQDGTWCVIU-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP C[N@H+](CC1CCC1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960685803 1318793362 /nfs/dbraw/zinc/79/33/62/1318793362.db2.gz WFYXYYQEHNJJQQ-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960688240 1318793923 /nfs/dbraw/zinc/79/39/23/1318793923.db2.gz FNMOGOSGJWHTGQ-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000960687618 1318794626 /nfs/dbraw/zinc/79/46/26/1318794626.db2.gz LGXQHMCWVOCVQO-PMACEKPBSA-N 2 0 345.531 3.004 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3cccc(C)c3)C2)CC[N@@H+]1C ZINC001022109350 1318797902 /nfs/dbraw/zinc/79/79/02/1318797902.db2.gz LRLSHNMSMGIMFB-LFZDHENXSA-N 2 0 343.515 3.023 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2)CC1CCCCC1 ZINC000960731523 1318832913 /nfs/dbraw/zinc/83/29/13/1318832913.db2.gz VZNVFQHVRIJHIF-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000960741966 1318845192 /nfs/dbraw/zinc/84/51/92/1318845192.db2.gz VYCRXAZCQLMLLY-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001022291363 1318881426 /nfs/dbraw/zinc/88/14/26/1318881426.db2.gz YFTGCPXSFSHQQU-ZSGPHXLJSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022350687 1318901906 /nfs/dbraw/zinc/90/19/06/1318901906.db2.gz NKLKQTCYSNLRMX-ZCNNSNEGSA-N 2 0 347.547 3.234 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370681 1318908614 /nfs/dbraw/zinc/90/86/14/1318908614.db2.gz SALVQJVOCNLALK-RYQLBKOJSA-N 2 0 348.450 3.254 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913160325 1318980026 /nfs/dbraw/zinc/98/00/26/1318980026.db2.gz XXSZAXMNHJCPDD-GOSISDBHSA-N 2 0 340.471 3.038 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815560562 1319016549 /nfs/dbraw/zinc/01/65/49/1319016549.db2.gz KHRQAWDTPQTHNQ-WDYCEAGBSA-N 2 0 343.471 3.311 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001022808739 1319118651 /nfs/dbraw/zinc/11/86/51/1319118651.db2.gz ZEBKLNTYQUBHCX-BGYRXZFFSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001022807675 1319118807 /nfs/dbraw/zinc/11/88/07/1319118807.db2.gz KHNPDDIQQZIRPU-RYQLBKOJSA-N 2 0 349.544 3.058 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001022809876 1319120592 /nfs/dbraw/zinc/12/05/92/1319120592.db2.gz WYYROWAKHWBEGG-AHRSYUTCSA-N 2 0 343.515 3.025 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)CC1CCC(C)(C)CC1 ZINC000961027867 1319150805 /nfs/dbraw/zinc/15/08/05/1319150805.db2.gz LHVMPSDUEMGZOY-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224789 1319351398 /nfs/dbraw/zinc/35/13/98/1319351398.db2.gz FCFUIQHORBQAKN-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP Cn1nc(C(F)(F)F)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1Cl ZINC000817415946 1319355650 /nfs/dbraw/zinc/35/56/50/1319355650.db2.gz BHMPDAUMDQJQRR-UHFFFAOYSA-N 2 0 338.805 3.055 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001023274261 1319407735 /nfs/dbraw/zinc/40/77/35/1319407735.db2.gz WPEUNVAZZVLTOU-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961294086 1319456760 /nfs/dbraw/zinc/45/67/60/1319456760.db2.gz SWKQWIFTNLKVKD-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000817923282 1319462228 /nfs/dbraw/zinc/46/22/28/1319462228.db2.gz VQHNXPMMMPFUKM-XIKOKIGWSA-N 2 0 333.863 3.060 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817932812 1319464447 /nfs/dbraw/zinc/46/44/47/1319464447.db2.gz VQKXEKMYQLBZIO-ZOBUZTSGSA-N 2 0 331.460 3.072 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817932804 1319465200 /nfs/dbraw/zinc/46/52/00/1319465200.db2.gz VQKXEKMYQLBZIO-YQQAZPJKSA-N 2 0 331.460 3.072 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)ncc1F ZINC000817960203 1319478506 /nfs/dbraw/zinc/47/85/06/1319478506.db2.gz LMUFIZLUJNJJJS-OPQQBVKSSA-N 2 0 330.245 3.151 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(N2CCOC2=O)c1 ZINC000817968303 1319481215 /nfs/dbraw/zinc/48/12/15/1319481215.db2.gz JFRFQGHGEGUDAR-CQSZACIVSA-N 2 0 337.423 3.097 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)ncc1F ZINC000817975348 1319482570 /nfs/dbraw/zinc/48/25/70/1319482570.db2.gz LHNBMKBZOFGFFP-SRVKXCTJSA-N 2 0 344.272 3.399 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000817976990 1319483958 /nfs/dbraw/zinc/48/39/58/1319483958.db2.gz YRAGOSUYKQJKAM-OXJNMPFZSA-N 3 0 345.531 3.330 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1C[NH+]1CCCCC1 ZINC000817977728 1319484134 /nfs/dbraw/zinc/48/41/34/1319484134.db2.gz NQQPHOWMOMYLGM-SJORKVTESA-N 3 0 333.520 3.459 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817984897 1319487102 /nfs/dbraw/zinc/48/71/02/1319487102.db2.gz BTSRKHGINBCPNA-DOTOQJQBSA-N 2 0 343.471 3.359 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023402568 1319508597 /nfs/dbraw/zinc/50/85/97/1319508597.db2.gz OGAMBSVUVXQVOY-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414514 1319519325 /nfs/dbraw/zinc/51/93/25/1319519325.db2.gz VASGPSZZZLJEFD-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)sc2nc(C)nc(C)c12 ZINC000915681878 1319520018 /nfs/dbraw/zinc/52/00/18/1319520018.db2.gz GNBOQJUMGWSYDC-LSDHHAIUSA-N 2 0 330.501 3.333 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961373351 1319530098 /nfs/dbraw/zinc/53/00/98/1319530098.db2.gz GVLGSFDZROVMTH-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961395445 1319552137 /nfs/dbraw/zinc/55/21/37/1319552137.db2.gz JLLKISSUBRQZGE-IHPCNDPISA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961395446 1319552400 /nfs/dbraw/zinc/55/24/00/1319552400.db2.gz JLLKISSUBRQZGE-YSIASYRMSA-N 2 0 349.563 3.076 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000818954479 1319587546 /nfs/dbraw/zinc/58/75/46/1319587546.db2.gz WHSWJOQDSCZNBK-FQEVSTJZSA-N 2 0 346.421 3.384 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818985892 1319604941 /nfs/dbraw/zinc/60/49/41/1319604941.db2.gz ZIBFGGHSSCMZHJ-SUMWQHHRSA-N 2 0 328.859 3.223 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508184 1319618164 /nfs/dbraw/zinc/61/81/64/1319618164.db2.gz KNEUFYQZOGKGAV-SFHVURJKSA-N 2 0 345.531 3.033 20 0 EGADRP O=C(CC[NH2+]C1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1 ZINC000819142600 1319647865 /nfs/dbraw/zinc/64/78/65/1319647865.db2.gz ONBKMGVSITXNKO-UHFFFAOYSA-N 2 0 329.488 3.402 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819182909 1319659984 /nfs/dbraw/zinc/65/99/84/1319659984.db2.gz RWQVOYYREUGJKO-RDTXWAMCSA-N 2 0 342.886 3.470 20 0 EGADRP CC(C)(C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000819259720 1319682054 /nfs/dbraw/zinc/68/20/54/1319682054.db2.gz LRQBNPJPBGBNQV-INIZCTEOSA-N 2 0 344.421 3.450 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819366160 1319710331 /nfs/dbraw/zinc/71/03/31/1319710331.db2.gz KERGONGRZWMHMF-BBRMVZONSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632257 1319753359 /nfs/dbraw/zinc/75/33/59/1319753359.db2.gz IDTKPZURVXEGAS-RTBURBONSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000961924025 1319774822 /nfs/dbraw/zinc/77/48/22/1319774822.db2.gz KFTKXPPUNKTXFX-MHJFOBGBSA-N 2 0 347.547 3.234 20 0 EGADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820814112 1319959775 /nfs/dbraw/zinc/95/97/75/1319959775.db2.gz FSYBMTOXGWQVLT-IOHIJNGWSA-N 2 0 332.463 3.385 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000820824163 1319963082 /nfs/dbraw/zinc/96/30/82/1319963082.db2.gz RONZQVYQAZPZGC-IPELMVKDSA-N 2 0 334.529 3.454 20 0 EGADRP C[C@H]1CC[NH2+][C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000822766530 1320121756 /nfs/dbraw/zinc/12/17/56/1320121756.db2.gz SPBNESOFCKJLTL-YOEHRIQHSA-N 2 0 326.444 3.393 20 0 EGADRP [NH3+]Cc1cccc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c1 ZINC000822766562 1320121910 /nfs/dbraw/zinc/12/19/10/1320121910.db2.gz UDFCQBCNLFAZDI-UHFFFAOYSA-N 2 0 334.423 3.458 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000823399604 1320175887 /nfs/dbraw/zinc/17/58/87/1320175887.db2.gz KYQSBEADIFOCJD-QGZVFWFLSA-N 2 0 341.540 3.057 20 0 EGADRP Cc1cc(N2CCC([NH2+]Cc3ccnc(Cl)c3F)CC2)nc(C)n1 ZINC000824098001 1320228862 /nfs/dbraw/zinc/22/88/62/1320228862.db2.gz HWKMOKVZMKSSKM-UHFFFAOYSA-N 2 0 349.841 3.040 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000825326018 1320327486 /nfs/dbraw/zinc/32/74/86/1320327486.db2.gz KWMQWWODMIAVAU-QXAKKESOSA-N 2 0 334.504 3.105 20 0 EGADRP Clc1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000839073896 1320862825 /nfs/dbraw/zinc/86/28/25/1320862825.db2.gz BVRBWTJIUAYHPT-GOSISDBHSA-N 2 0 327.859 3.461 20 0 EGADRP C[C@@](Cc1ccccc1)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000839681150 1320960635 /nfs/dbraw/zinc/96/06/35/1320960635.db2.gz PZJDFRRNEWITOP-YADHBBJMSA-N 2 0 338.495 3.191 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000841058586 1321210997 /nfs/dbraw/zinc/21/09/97/1321210997.db2.gz YGWLVZLYRNYYRP-UHFFFAOYSA-N 2 0 346.906 3.373 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474050 1321393405 /nfs/dbraw/zinc/39/34/05/1321393405.db2.gz CFIXVYMVBHVEAE-CRAIPNDOSA-N 2 0 326.440 3.065 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(OCC(F)(F)F)cc1 ZINC000843054025 1321462863 /nfs/dbraw/zinc/46/28/63/1321462863.db2.gz PTLOCAGURHPKJG-GOOCMWNKSA-N 2 0 328.378 3.472 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378132 1321508451 /nfs/dbraw/zinc/50/84/51/1321508451.db2.gz SQTPTHBHLKUGAI-HZPDHXFCSA-N 2 0 331.504 3.372 20 0 EGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCCCC[NH3+] ZINC000844202910 1321577842 /nfs/dbraw/zinc/57/78/42/1321577842.db2.gz PPVOYBNMKJJNDQ-UHFFFAOYSA-N 2 0 346.519 3.056 20 0 EGADRP CC(C)(C)OC(=O)NCCC1CC([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000845921378 1321754424 /nfs/dbraw/zinc/75/44/24/1321754424.db2.gz OOAUWQSOBCYRNM-UHFFFAOYSA-N 2 0 339.524 3.145 20 0 EGADRP [NH3+]CCCCCCN1CCO[C@H](c2ccccc2Br)C1 ZINC000846217837 1321776898 /nfs/dbraw/zinc/77/68/98/1321776898.db2.gz FDKVMCZUPAKDMM-INIZCTEOSA-N 2 0 341.293 3.342 20 0 EGADRP C[N@H+](CCCCCC[NH3+])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000846218930 1321777274 /nfs/dbraw/zinc/77/72/74/1321777274.db2.gz ZICMOLNEBLIKHM-JKSUJKDBSA-N 2 0 331.287 3.402 20 0 EGADRP COc1cccc(OC)c1OC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846218743 1321777286 /nfs/dbraw/zinc/77/72/86/1321777286.db2.gz SQOLQWYEJCIIAX-UHFFFAOYSA-N 2 0 336.476 3.066 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(-c3ccccc3)cc1)C2 ZINC000846225195 1321777400 /nfs/dbraw/zinc/77/74/00/1321777400.db2.gz JRJJMXXRGQIENN-UGKGYDQZSA-N 2 0 349.478 3.353 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)C1 ZINC000848719190 1322000097 /nfs/dbraw/zinc/00/00/97/1322000097.db2.gz WIKZHEQRWMNTQH-SVFBPWRDSA-N 2 0 340.467 3.159 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)C1 ZINC000848999434 1322057510 /nfs/dbraw/zinc/05/75/10/1322057510.db2.gz FJNNBFISUFUTCE-MRXNPFEDSA-N 2 0 328.504 3.475 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCc1ccc(Cl)s1 ZINC000849002025 1322057586 /nfs/dbraw/zinc/05/75/86/1322057586.db2.gz HIVTVKCNZIJFAY-CYBMUJFWSA-N 2 0 342.940 3.322 20 0 EGADRP C[NH+]1CCC(Oc2ccc(CNC(=[NH2+])N3CCCCCC3)cc2)CC1 ZINC000849002670 1322058163 /nfs/dbraw/zinc/05/81/63/1322058163.db2.gz OSVQBBFXRXBAOT-UHFFFAOYSA-N 2 0 344.503 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849050922 1322058524 /nfs/dbraw/zinc/05/85/24/1322058524.db2.gz OKXDNPNRJJACNF-ZDUSSCGKSA-N 2 0 344.381 3.396 20 0 EGADRP CC[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000849090841 1322074848 /nfs/dbraw/zinc/07/48/48/1322074848.db2.gz LFZVHWZXOXMPKU-OAHLLOKOSA-N 2 0 342.409 3.194 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000849091168 1322075638 /nfs/dbraw/zinc/07/56/38/1322075638.db2.gz XJLDURXUBVBWGC-FUHWJXTLSA-N 2 0 344.503 3.279 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000849101063 1322078607 /nfs/dbraw/zinc/07/86/07/1322078607.db2.gz HLGHBTRWGZKSEU-FQEVSTJZSA-N 2 0 336.483 3.274 20 0 EGADRP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1 ZINC000849101990 1322079345 /nfs/dbraw/zinc/07/93/45/1322079345.db2.gz HVCOYTLCQYHGGL-MRXNPFEDSA-N 2 0 340.556 3.205 20 0 EGADRP CCc1cccc(CC)c1NC(=[NH2+])NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000849104844 1322080326 /nfs/dbraw/zinc/08/03/26/1322080326.db2.gz YUOQBCMWSJCCRQ-INIZCTEOSA-N 2 0 346.519 3.249 20 0 EGADRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC(C)(C)C2)cc1Cl ZINC000849105209 1322080380 /nfs/dbraw/zinc/08/03/80/1322080380.db2.gz HQSKDCWODJMDOF-UHFFFAOYSA-N 2 0 338.883 3.407 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000920757596 1322218526 /nfs/dbraw/zinc/21/85/26/1322218526.db2.gz DIIVXQVXHKXTNC-UHFFFAOYSA-N 2 0 343.515 3.033 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000922847443 1322631465 /nfs/dbraw/zinc/63/14/65/1322631465.db2.gz PVPPKVQENSRQLQ-UHFFFAOYSA-N 2 0 332.879 3.484 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)o1 ZINC000922848117 1322631722 /nfs/dbraw/zinc/63/17/22/1322631722.db2.gz NPUWSFJKDHMGGA-UHFFFAOYSA-N 2 0 328.460 3.475 20 0 EGADRP O[C@H](c1ccccc1)C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923301238 1322729063 /nfs/dbraw/zinc/72/90/63/1322729063.db2.gz QYOPSMKLPLEMIX-QNKZKCNHSA-N 2 0 328.500 3.353 20 0 EGADRP CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923493037 1322761186 /nfs/dbraw/zinc/76/11/86/1322761186.db2.gz QERJFKCYSJOMGW-YJBOKZPZSA-N 2 0 349.494 3.090 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000923491709 1322761889 /nfs/dbraw/zinc/76/18/89/1322761889.db2.gz MEFPILXYAZOUNZ-UTKZUKDTSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923532021 1322770434 /nfs/dbraw/zinc/77/04/34/1322770434.db2.gz XLNFDIOGOZFMOU-GDBMZVCRSA-N 2 0 340.920 3.320 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000931164163 1329065349 /nfs/dbraw/zinc/06/53/49/1329065349.db2.gz MSQYQOMIMBCKPS-SFHVURJKSA-N 2 0 331.504 3.026 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924577186 1323060716 /nfs/dbraw/zinc/06/07/16/1323060716.db2.gz GOIAQACLJLBCRM-OXJNMPFZSA-N 2 0 349.494 3.103 20 0 EGADRP CCON1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000924586461 1323064409 /nfs/dbraw/zinc/06/44/09/1323064409.db2.gz KJZJAFHCXCYKOC-UHFFFAOYSA-N 2 0 331.504 3.178 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024047437 1323097284 /nfs/dbraw/zinc/09/72/84/1323097284.db2.gz SVGNGIDIMAHBOP-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924668492 1323104041 /nfs/dbraw/zinc/10/40/41/1323104041.db2.gz QRJOXIJNEPELPP-RDJZCZTQSA-N 2 0 338.927 3.192 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000924674130 1323105867 /nfs/dbraw/zinc/10/58/67/1323105867.db2.gz MHKMFIZGFNJJJQ-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024118600 1323148854 /nfs/dbraw/zinc/14/88/54/1323148854.db2.gz GMAKMJRQENKOMQ-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024118598 1323148864 /nfs/dbraw/zinc/14/88/64/1323148864.db2.gz GMAKMJRQENKOMQ-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924825100 1323178215 /nfs/dbraw/zinc/17/82/15/1323178215.db2.gz BJAYETVYEMWERX-SJORKVTESA-N 2 0 339.483 3.104 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001024156368 1323178991 /nfs/dbraw/zinc/17/89/91/1323178991.db2.gz MEGJEIIURWKYNE-LJQANCHMSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000924854101 1323187865 /nfs/dbraw/zinc/18/78/65/1323187865.db2.gz RRZVZKYGODEKQN-WMZOPIPTSA-N 2 0 325.456 3.350 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000924861082 1323190833 /nfs/dbraw/zinc/19/08/33/1323190833.db2.gz HKUBJPIUQZXFPL-MJGOQNOKSA-N 2 0 334.504 3.048 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000924871208 1323194807 /nfs/dbraw/zinc/19/48/07/1323194807.db2.gz WPZOAUIXAXODQZ-HNNXBMFYSA-N 2 0 347.532 3.483 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000963158266 1323219824 /nfs/dbraw/zinc/21/98/24/1323219824.db2.gz WHNQFQWHONXEFV-CTWPCTMYSA-N 2 0 335.536 3.020 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000963157793 1323219856 /nfs/dbraw/zinc/21/98/56/1323219856.db2.gz RJHYZJWTKZMQDJ-CTWPCTMYSA-N 2 0 347.547 3.020 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000963155850 1323220268 /nfs/dbraw/zinc/22/02/68/1323220268.db2.gz CQOFNGVNBXFSRZ-ACBHZAAOSA-N 2 0 335.536 3.020 20 0 EGADRP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852745422 1323234140 /nfs/dbraw/zinc/23/41/40/1323234140.db2.gz UYFNQLJINKWIJG-FCHUYYIVSA-N 2 0 336.479 3.420 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000925060407 1323261603 /nfs/dbraw/zinc/26/16/03/1323261603.db2.gz JZCMQMBQPWYOMO-OAHLLOKOSA-N 2 0 332.492 3.338 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024366600 1323340254 /nfs/dbraw/zinc/34/02/54/1323340254.db2.gz TXXLGKYGCMINAB-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001024366701 1323340853 /nfs/dbraw/zinc/34/08/53/1323340853.db2.gz UTHUIZWOATYUQX-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436436 1323396453 /nfs/dbraw/zinc/39/64/53/1323396453.db2.gz DCEYSOYWWKEORF-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502702 1323450647 /nfs/dbraw/zinc/45/06/47/1323450647.db2.gz QEOFXSSUSTZZRN-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617463 1323545818 /nfs/dbraw/zinc/54/58/18/1323545818.db2.gz GYHJSKJAJUSYNV-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024812629 1323715762 /nfs/dbraw/zinc/71/57/62/1323715762.db2.gz QGFFWXFCYMZDOG-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001024979154 1323811341 /nfs/dbraw/zinc/81/13/41/1323811341.db2.gz MOXWZCLMCKXQEH-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001024979765 1323812111 /nfs/dbraw/zinc/81/21/11/1323812111.db2.gz YISWUFSRFOFGMP-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024984652 1323813803 /nfs/dbraw/zinc/81/38/03/1323813803.db2.gz HSDAJIAJBKJYDB-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)[NH+](C)C ZINC001024993758 1323815243 /nfs/dbraw/zinc/81/52/43/1323815243.db2.gz KZTIZLIGOTZXAO-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001024992839 1323816148 /nfs/dbraw/zinc/81/61/48/1323816148.db2.gz YHZPQECRHFVUHH-UXHICEINSA-N 2 0 345.531 3.052 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]2C1 ZINC000931440626 1329118433 /nfs/dbraw/zinc/11/84/33/1329118433.db2.gz YZAYVEQYUJJDDD-UXHICEINSA-N 2 0 337.467 3.044 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025232885 1324018928 /nfs/dbraw/zinc/01/89/28/1324018928.db2.gz RAPPECMVEVRPAP-MSOLQXFVSA-N 2 0 335.536 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CCC2CC2)CCC1 ZINC001025241101 1324036381 /nfs/dbraw/zinc/03/63/81/1324036381.db2.gz UPDZQGNMADLZGA-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300970 1324133999 /nfs/dbraw/zinc/13/39/99/1324133999.db2.gz GQDVGKQXSMNKHV-RBUKOAKNSA-N 2 0 335.536 3.118 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025589362 1324433783 /nfs/dbraw/zinc/43/37/83/1324433783.db2.gz FIPBWJLCUDAJBO-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026507655 1324854968 /nfs/dbraw/zinc/85/49/68/1324854968.db2.gz YNYQZIOGVVUHTE-MHJFOBGBSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(-n2cnnc2)c1 ZINC000925218433 1325084868 /nfs/dbraw/zinc/08/48/68/1325084868.db2.gz XNCAUCDWCBYAIX-MRXNPFEDSA-N 2 0 339.487 3.325 20 0 EGADRP CC(=O)Nc1cccc(OCC[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000925350007 1325124836 /nfs/dbraw/zinc/12/48/36/1325124836.db2.gz ZUIIDABBQAKJCR-UHFFFAOYSA-N 2 0 347.503 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345015 1325135130 /nfs/dbraw/zinc/13/51/30/1325135130.db2.gz CLSGESLVRMBAMN-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347065 1325137851 /nfs/dbraw/zinc/13/78/51/1325137851.db2.gz NOUYAGKYSFUBMX-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP COCCOC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925470883 1325165573 /nfs/dbraw/zinc/16/55/73/1325165573.db2.gz OWFUIEWKLSJXED-LBFURVHYSA-N 2 0 346.515 3.213 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000925486082 1325172290 /nfs/dbraw/zinc/17/22/90/1325172290.db2.gz DWHONDLQWVWWFX-MSLZMCFISA-N 2 0 333.907 3.272 20 0 EGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925504184 1325181318 /nfs/dbraw/zinc/18/13/18/1325181318.db2.gz KWBJATKMAJNTDY-PCCBWWKXSA-N 2 0 327.516 3.019 20 0 EGADRP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925546421 1325201440 /nfs/dbraw/zinc/20/14/40/1325201440.db2.gz HHFFXCSJNOVYBF-VQTJNVASSA-N 2 0 341.499 3.071 20 0 EGADRP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925546422 1325201714 /nfs/dbraw/zinc/20/17/14/1325201714.db2.gz HHFFXCSJNOVYBF-WOJBJXKFSA-N 2 0 341.499 3.071 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000925549901 1325203160 /nfs/dbraw/zinc/20/31/60/1325203160.db2.gz ZXMZPUVLNKFOLM-HXUWFJFHSA-N 2 0 337.467 3.383 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925676975 1325259038 /nfs/dbraw/zinc/25/90/38/1325259038.db2.gz RDBOXTVLKYRSNZ-IMFGXOCKSA-N 2 0 345.506 3.410 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1 ZINC000925685030 1325262295 /nfs/dbraw/zinc/26/22/95/1325262295.db2.gz CUAWAAFJNNHVME-QWFCFKBJSA-N 2 0 325.456 3.372 20 0 EGADRP CNC(=O)CC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925715980 1325268940 /nfs/dbraw/zinc/26/89/40/1325268940.db2.gz MRDOVEZEGVWZCU-GOSISDBHSA-N 2 0 331.504 3.143 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000925827149 1325318137 /nfs/dbraw/zinc/31/81/37/1325318137.db2.gz MRPAWAULHKCWDX-OLZOCXBDSA-N 2 0 338.455 3.145 20 0 EGADRP CCSc1ccccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925829691 1325319553 /nfs/dbraw/zinc/31/95/53/1325319553.db2.gz ATVXRBUWHKIITD-RCCFBDPRSA-N 2 0 334.529 3.088 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000963907686 1325431556 /nfs/dbraw/zinc/43/15/56/1325431556.db2.gz HZABVMUZYSRZJS-QHGAOEGBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000926142187 1325444939 /nfs/dbraw/zinc/44/49/39/1325444939.db2.gz JPOVMUIAKPKATE-FTRWYGJKSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926258654 1325494348 /nfs/dbraw/zinc/49/43/48/1325494348.db2.gz RFSAUJXHGNCCTL-LAUBAEHRSA-N 2 0 326.484 3.311 20 0 EGADRP CC(C)[NH+](CCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)C(C)C ZINC000856725485 1325513812 /nfs/dbraw/zinc/51/38/12/1325513812.db2.gz LYGMJAIVFOHVAY-HXUWFJFHSA-N 2 0 345.531 3.344 20 0 EGADRP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926377816 1325533658 /nfs/dbraw/zinc/53/36/58/1325533658.db2.gz MHDJHRYDBWNZIY-NHCUHLMSSA-N 2 0 346.515 3.310 20 0 EGADRP O[C@H](C[NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424165 1325549121 /nfs/dbraw/zinc/54/91/21/1325549121.db2.gz MNLZDOXQOZYLEV-YESZJQIVSA-N 2 0 342.405 3.345 20 0 EGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857132261 1325577868 /nfs/dbraw/zinc/57/78/68/1325577868.db2.gz ZIJLMFSAUVYKOA-VQTJNVASSA-N 2 0 343.515 3.100 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027409590 1327635967 /nfs/dbraw/zinc/63/59/67/1327635967.db2.gz LJMWLUBVXFFDBG-QZTJIDSGSA-N 2 0 349.544 3.044 20 0 EGADRP CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001027441245 1327680943 /nfs/dbraw/zinc/68/09/43/1327680943.db2.gz CBENTSRCXLLKHM-AFMYVXGZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001027452747 1327693430 /nfs/dbraw/zinc/69/34/30/1327693430.db2.gz UEMQNWATBNKTLO-MOPGFXCFSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2ncnn21 ZINC000926791634 1327719497 /nfs/dbraw/zinc/71/94/97/1327719497.db2.gz TURBGZKBDFRWQA-APWZRJJASA-N 2 0 339.487 3.176 20 0 EGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000926909453 1327770803 /nfs/dbraw/zinc/77/08/03/1327770803.db2.gz CDNBEEXLASZJLP-IUODEOHRSA-N 2 0 325.294 3.372 20 0 EGADRP CCOCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000927086704 1327853387 /nfs/dbraw/zinc/85/33/87/1327853387.db2.gz MPVDAKADCINDLI-PWRODBHTSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCC3CCCC3)C2)CC[N@@H+]1C ZINC001027548053 1327854938 /nfs/dbraw/zinc/85/49/38/1327854938.db2.gz ZSGZSNOVYNFEJH-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001027682558 1328081232 /nfs/dbraw/zinc/08/12/32/1328081232.db2.gz RDZGIAGVLQZMMQ-QUCCMNQESA-N 2 0 343.515 3.075 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966071924 1328169188 /nfs/dbraw/zinc/16/91/88/1328169188.db2.gz BRYCZUSSTNRVHW-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027878773 1328344094 /nfs/dbraw/zinc/34/40/94/1328344094.db2.gz ILEUTCBBOYWDLO-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027879133 1328344943 /nfs/dbraw/zinc/34/49/43/1328344943.db2.gz NOIWETQPLHGXRL-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027919644 1328399008 /nfs/dbraw/zinc/39/90/08/1328399008.db2.gz ZDQFDQOPQSDULD-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001027971679 1328444696 /nfs/dbraw/zinc/44/46/96/1328444696.db2.gz JUUKBUMYYXXHHW-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc(C3(C[NH3+])CCOCC3)cc2)s1 ZINC000928996444 1328485774 /nfs/dbraw/zinc/48/57/74/1328485774.db2.gz SRFUBZFWJQFCAR-UHFFFAOYSA-N 2 0 330.497 3.484 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC1 ZINC001049760687 1348005955 /nfs/dbraw/zinc/00/59/55/1348005955.db2.gz BAQHJICMLXIOAG-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC[NH2+][C@@H](C)c1nc(-c2ccc(OCC[NH+](CC)CC)cc2)no1 ZINC000863667391 1329572552 /nfs/dbraw/zinc/57/25/52/1329572552.db2.gz HWVPWIPKRWSKAR-AWEZNQCLSA-N 2 0 332.448 3.128 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cccc(OC(C)(C)C)c3)C2)CC1 ZINC000865459701 1329700298 /nfs/dbraw/zinc/70/02/98/1329700298.db2.gz BDKZFTHWXHHUDJ-GOSISDBHSA-N 2 0 345.531 3.122 20 0 EGADRP CC(CC[NH+]1CCn2cccc2C1)CC[N@@H+]1CCn2cccc2C1 ZINC000932524474 1329820155 /nfs/dbraw/zinc/82/01/55/1329820155.db2.gz KXVGBCCLCJPOAJ-UHFFFAOYSA-N 2 0 326.488 3.037 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000933624618 1329907054 /nfs/dbraw/zinc/90/70/54/1329907054.db2.gz YBFPQJTVRUEFHG-KRWDZBQOSA-N 2 0 347.503 3.212 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000933780297 1329922646 /nfs/dbraw/zinc/92/26/46/1329922646.db2.gz XFCZEDQKXMNKRK-KRWDZBQOSA-N 2 0 347.503 3.069 20 0 EGADRP CCC[N@H+](CC[C@@H]1CCOC1=O)C1CCN(Cc2ccccc2)CC1 ZINC000934190023 1329953752 /nfs/dbraw/zinc/95/37/52/1329953752.db2.gz UUOKVOXNMSEAEZ-LJQANCHMSA-N 2 0 344.499 3.316 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000866260991 1330086790 /nfs/dbraw/zinc/08/67/90/1330086790.db2.gz YLWRSSUBRLTJTA-OXJNMPFZSA-N 2 0 333.495 3.066 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000866467972 1330116159 /nfs/dbraw/zinc/11/61/59/1330116159.db2.gz WDYUEIXTEXSCIV-BRWVUGGUSA-N 2 0 328.591 3.466 20 0 EGADRP Cc1cccc(Cl)c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000866662149 1330138829 /nfs/dbraw/zinc/13/88/29/1330138829.db2.gz XVEMYFCFPPMHEQ-YXWQFLTLSA-N 2 0 335.879 3.035 20 0 EGADRP COc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)co1 ZINC000866666826 1330139547 /nfs/dbraw/zinc/13/95/47/1330139547.db2.gz XWDHXUMCAUCUPO-SFHVURJKSA-N 2 0 341.455 3.314 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC000942206464 1331878810 /nfs/dbraw/zinc/87/88/10/1331878810.db2.gz ZTIUFQUQYPHRIZ-DNVCBOLYSA-N 2 0 342.487 3.129 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581126 1331986959 /nfs/dbraw/zinc/98/69/59/1331986959.db2.gz AKMZHAOIMFBLIN-YJBOKZPZSA-N 2 0 349.519 3.218 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581352 1331987435 /nfs/dbraw/zinc/98/74/35/1331987435.db2.gz FNLKKLLRGLVSAC-WBVHZDCISA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000943875012 1332286379 /nfs/dbraw/zinc/28/63/79/1332286379.db2.gz AJIYNJOPNKYNMA-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644793 1332869431 /nfs/dbraw/zinc/86/94/31/1332869431.db2.gz JOIQMGBTSQEFSR-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902439 1332928472 /nfs/dbraw/zinc/92/84/72/1332928472.db2.gz PRWWZOJJRPXXRW-FGYAAKKASA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC000947616005 1333193781 /nfs/dbraw/zinc/19/37/81/1333193781.db2.gz NRRCIFJVCCDPKI-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947775517 1333258066 /nfs/dbraw/zinc/25/80/66/1333258066.db2.gz OJMKAXWKDXSVTH-LPHOPBHVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC1CCC1 ZINC000947799774 1333265278 /nfs/dbraw/zinc/26/52/78/1333265278.db2.gz CSDYKAALFKDYER-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H](C)C2)CC1 ZINC000947851813 1333279333 /nfs/dbraw/zinc/27/93/33/1333279333.db2.gz AVQUTPLTLUUOBK-ICSRJNTNSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000948039397 1333350158 /nfs/dbraw/zinc/35/01/58/1333350158.db2.gz GPCKCLYFUFOREC-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000948245211 1333439281 /nfs/dbraw/zinc/43/92/81/1333439281.db2.gz NFEPGKHGFKWMMF-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948368498 1333497420 /nfs/dbraw/zinc/49/74/20/1333497420.db2.gz NEBIFUIKJOXVRP-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377120 1333501883 /nfs/dbraw/zinc/50/18/83/1333501883.db2.gz HCFMDOKPNUYUCT-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC000948385673 1333504323 /nfs/dbraw/zinc/50/43/23/1333504323.db2.gz NYCNVRGQKOUTNZ-YZGWKJHDSA-N 2 0 347.547 3.140 20 0 EGADRP CN(C(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948416820 1333517770 /nfs/dbraw/zinc/51/77/70/1333517770.db2.gz QEPQSLHLKLGLKQ-KRWDZBQOSA-N 2 0 349.544 3.146 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772145 1333672704 /nfs/dbraw/zinc/67/27/04/1333672704.db2.gz UEMGLGCSEPOFID-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000948935241 1333740026 /nfs/dbraw/zinc/74/00/26/1333740026.db2.gz CNSCCGLYIUFCHU-FQEVSTJZSA-N 2 0 348.450 3.074 20 0 EGADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950063324 1334006320 /nfs/dbraw/zinc/00/63/20/1334006320.db2.gz ICOHSWDFMOLENV-AFMYVXGZSA-N 2 0 349.563 3.218 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[NH+](CC3CCC(C)(C)CC3)CC2)CC1 ZINC000952393626 1334445525 /nfs/dbraw/zinc/44/55/25/1334445525.db2.gz HRXNEUIBODYSKT-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[NH+](CC[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000952394350 1334445935 /nfs/dbraw/zinc/44/59/35/1334445935.db2.gz YASWHWCSLRUELW-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000952444586 1334461113 /nfs/dbraw/zinc/46/11/13/1334461113.db2.gz WUQDGGXHSYVPHU-ICSRJNTNSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967085480 1335658891 /nfs/dbraw/zinc/65/88/91/1335658891.db2.gz KOZVAAIWMKGRPY-KXBFYZLASA-N 2 0 340.471 3.049 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2=CCCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968190708 1335868502 /nfs/dbraw/zinc/86/85/02/1335868502.db2.gz LOXPWIXIBWNSOF-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(C)C)CC[C@H]2C)o1 ZINC000968688698 1336012479 /nfs/dbraw/zinc/01/24/79/1336012479.db2.gz NHYHZFCKIABTIZ-SJLPKXTDSA-N 2 0 349.519 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968851785 1336067335 /nfs/dbraw/zinc/06/73/35/1336067335.db2.gz ZJJXTHNNIAIABL-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968850390 1336067827 /nfs/dbraw/zinc/06/78/27/1336067827.db2.gz XTPCNXOMJDJUDY-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968850012 1336067973 /nfs/dbraw/zinc/06/79/73/1336067973.db2.gz MNCISZSVSNYXMC-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968888273 1336080438 /nfs/dbraw/zinc/08/04/38/1336080438.db2.gz SBENWQCHUUHAKA-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000968928919 1336093817 /nfs/dbraw/zinc/09/38/17/1336093817.db2.gz XHYMKNWNNGNBBC-UXHICEINSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000969099354 1336142928 /nfs/dbraw/zinc/14/29/28/1336142928.db2.gz NVDDQWCSSVNHHY-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000969152112 1336163922 /nfs/dbraw/zinc/16/39/22/1336163922.db2.gz BESQYAAFPKNTKT-GOSISDBHSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)C[C@@H]1C[NH3+] ZINC001205304713 1370714626 /nfs/dbraw/zinc/71/46/26/1370714626.db2.gz PGIKLWQJVUOKFA-YPMHNXCESA-N 2 0 336.277 3.347 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000969735736 1336240713 /nfs/dbraw/zinc/24/07/13/1336240713.db2.gz NIMWVFZCNYANKZ-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000970528904 1336317987 /nfs/dbraw/zinc/31/79/87/1336317987.db2.gz JXQGIKYXJQKIMR-VQIMIIECSA-N 2 0 349.563 3.122 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000970717951 1336335486 /nfs/dbraw/zinc/33/54/86/1336335486.db2.gz PJUQQMSYPJRRFR-QZTJIDSGSA-N 2 0 349.906 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005478682 1336358237 /nfs/dbraw/zinc/35/82/37/1336358237.db2.gz WRZBUDZGKWEWKX-FQEVSTJZSA-N 2 0 347.547 3.284 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005477477 1336358419 /nfs/dbraw/zinc/35/84/19/1336358419.db2.gz ROVXLCRDLJWLNP-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005502954 1336363139 /nfs/dbraw/zinc/36/31/39/1336363139.db2.gz GNAOYYXIPWXTRL-FQEVSTJZSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503975 1336363611 /nfs/dbraw/zinc/36/36/11/1336363611.db2.gz OYYTUDVDBRFESW-IBGZPJMESA-N 2 0 335.536 3.138 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005590269 1336376274 /nfs/dbraw/zinc/37/62/74/1336376274.db2.gz XADWDIWXXUPBRW-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006001429 1336436213 /nfs/dbraw/zinc/43/62/13/1336436213.db2.gz NPMAHUYCVJZIQJ-YLJYHZDGSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001007500305 1336658449 /nfs/dbraw/zinc/65/84/49/1336658449.db2.gz RXZCXBVWPQWUQS-MSOLQXFVSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007500343 1336658642 /nfs/dbraw/zinc/65/86/42/1336658642.db2.gz SHMLDWBUYKVZMQ-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001007801974 1336703248 /nfs/dbraw/zinc/70/32/48/1336703248.db2.gz VMRPUSGTIQIVLZ-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008164149 1336782924 /nfs/dbraw/zinc/78/29/24/1336782924.db2.gz RPSZRZJUJDDNNU-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001008267638 1336810527 /nfs/dbraw/zinc/81/05/27/1336810527.db2.gz BUKKPZFOLWKCMI-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008274815 1336811728 /nfs/dbraw/zinc/81/17/28/1336811728.db2.gz GMMFSUBYBJIMJW-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001008541566 1336877900 /nfs/dbraw/zinc/87/79/00/1336877900.db2.gz RLXKEVBCMKRHKB-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)C2)C1 ZINC001008551250 1336879913 /nfs/dbraw/zinc/87/99/13/1336879913.db2.gz NQLPUHFGQULURG-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001008744320 1336918705 /nfs/dbraw/zinc/91/87/05/1336918705.db2.gz AVAUVLWFGNZVLF-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001008759568 1336920970 /nfs/dbraw/zinc/92/09/70/1336920970.db2.gz FJNZCFRTAQPUSJ-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001009639629 1337050876 /nfs/dbraw/zinc/05/08/76/1337050876.db2.gz YSPWGKBEXWIJAU-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001009635819 1337051012 /nfs/dbraw/zinc/05/10/12/1337051012.db2.gz MMZJQQVHNQVQRF-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014415385 1337771635 /nfs/dbraw/zinc/77/16/35/1337771635.db2.gz UGJNKTPWNBFXSG-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014636606 1337855402 /nfs/dbraw/zinc/85/54/02/1337855402.db2.gz ZCIBJYAXYCNBLC-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001015089183 1338013648 /nfs/dbraw/zinc/01/36/48/1338013648.db2.gz HVAZKROUDXXNGN-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015291384 1338086714 /nfs/dbraw/zinc/08/67/14/1338086714.db2.gz QZXBFCHMVRHTLW-APWZRJJASA-N 2 0 348.450 3.208 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501242 1338160253 /nfs/dbraw/zinc/16/02/53/1338160253.db2.gz YIGFZGSQJXQYLI-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC23CC[NH+](CC=C(C)C)CC3)C1 ZINC001016789261 1338728115 /nfs/dbraw/zinc/72/81/15/1338728115.db2.gz IJGYYLUHLCRFPR-OALUTQOASA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001017143035 1338895146 /nfs/dbraw/zinc/89/51/46/1338895146.db2.gz RBAOQCSKDMBBNP-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001017192697 1338938932 /nfs/dbraw/zinc/93/89/32/1338938932.db2.gz CFAIZFKRZYNNRF-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001017194199 1338939323 /nfs/dbraw/zinc/93/93/23/1338939323.db2.gz QYCQMAHDHVNYIJ-QUCCMNQESA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001017266265 1338991864 /nfs/dbraw/zinc/99/18/64/1338991864.db2.gz LWIKSYLULBOHKP-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017267543 1338993775 /nfs/dbraw/zinc/99/37/75/1338993775.db2.gz QJHHMTJWYZAOID-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017658613 1339385919 /nfs/dbraw/zinc/38/59/19/1339385919.db2.gz IFURMKBHCUYYCY-YSTOQKLRSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017839960 1339429169 /nfs/dbraw/zinc/42/91/69/1339429169.db2.gz VRYNRMORSNEECX-ZCNNSNEGSA-N 2 0 347.547 3.259 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CC1 ZINC001028252653 1340512314 /nfs/dbraw/zinc/51/23/14/1340512314.db2.gz ZZJXUULGZNKFOE-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001029004399 1340905273 /nfs/dbraw/zinc/90/52/73/1340905273.db2.gz WEKOCVJBLZYLDM-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001029113124 1340932986 /nfs/dbraw/zinc/93/29/86/1340932986.db2.gz GXUARNRWNZFHAJ-INIZCTEOSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001029124462 1340935882 /nfs/dbraw/zinc/93/58/82/1340935882.db2.gz IBLVJTMZBPMNOW-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2C)CC1)[NH+](C)C ZINC001029145106 1340942338 /nfs/dbraw/zinc/94/23/38/1340942338.db2.gz RKBGWARZOPJYOD-PXNSSMCTSA-N 2 0 345.531 3.052 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029163878 1340946257 /nfs/dbraw/zinc/94/62/57/1340946257.db2.gz COGDAAYAUAKDNQ-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029595599 1341018671 /nfs/dbraw/zinc/01/86/71/1341018671.db2.gz NFQUVUHHOJFSKU-TZRIAGMCSA-N 2 0 347.547 3.115 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001029755117 1341064310 /nfs/dbraw/zinc/06/43/10/1341064310.db2.gz HZUPBYCOLAYRTD-UYAOXDASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029861541 1341098772 /nfs/dbraw/zinc/09/87/72/1341098772.db2.gz PPSBFUYPVCOQMW-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001029887526 1341105445 /nfs/dbraw/zinc/10/54/45/1341105445.db2.gz MZZUCGOJPSMBLN-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(NC1C[NH+](CC2CCCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001030314367 1341178201 /nfs/dbraw/zinc/17/82/01/1341178201.db2.gz CAAPJKLOOVSNNW-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC001031188397 1341292201 /nfs/dbraw/zinc/29/22/01/1341292201.db2.gz KNNUSFAIOSYWHU-ZWKOTPCHSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918902 1341421960 /nfs/dbraw/zinc/42/19/60/1341421960.db2.gz VAHZRLDGVMLFSI-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033077349 1341717726 /nfs/dbraw/zinc/71/77/26/1341717726.db2.gz QNZRUHCKKQKDQG-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001033358972 1341796041 /nfs/dbraw/zinc/79/60/41/1341796041.db2.gz SHMBKGIMVUWZRS-YSIASYRMSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033422636 1341821709 /nfs/dbraw/zinc/82/17/09/1341821709.db2.gz HXHPZJSZPIBGMC-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033581712 1341882581 /nfs/dbraw/zinc/88/25/81/1341882581.db2.gz LSGXWEGUQVQKAU-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033829281 1342030083 /nfs/dbraw/zinc/03/00/83/1342030083.db2.gz VYFGNJKLXICJCG-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033936007 1342098685 /nfs/dbraw/zinc/09/86/85/1342098685.db2.gz LPEJSJMZKVOCKG-YTQUADARSA-N 2 0 349.563 3.076 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001034007505 1342144408 /nfs/dbraw/zinc/14/44/08/1342144408.db2.gz MBXYNJMVKKVQGS-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001034049596 1342189405 /nfs/dbraw/zinc/18/94/05/1342189405.db2.gz BOHPIVOCOJRZIL-INIZCTEOSA-N 2 0 335.492 3.066 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001034051584 1342193560 /nfs/dbraw/zinc/19/35/60/1342193560.db2.gz YTDZHQYAXHAQAE-QGZVFWFLSA-N 2 0 349.519 3.314 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001034129849 1342259388 /nfs/dbraw/zinc/25/93/88/1342259388.db2.gz DLPRVUTWEHUBGI-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cs1 ZINC001034272886 1342363487 /nfs/dbraw/zinc/36/34/87/1342363487.db2.gz XXUFXCJBWHTANU-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034396068 1342465499 /nfs/dbraw/zinc/46/54/99/1342465499.db2.gz CSZBSEUIFDUVEB-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001034437667 1342499909 /nfs/dbraw/zinc/49/99/09/1342499909.db2.gz IBACOWOHCGJHCI-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001034462534 1342518284 /nfs/dbraw/zinc/51/82/84/1342518284.db2.gz OSQNGOWLWICTEK-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001034462537 1342518351 /nfs/dbraw/zinc/51/83/51/1342518351.db2.gz OSQNGOWLWICTEK-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034538049 1342595076 /nfs/dbraw/zinc/59/50/76/1342595076.db2.gz HMCSFKKKGPYOQW-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542857 1342602544 /nfs/dbraw/zinc/60/25/44/1342602544.db2.gz BPMFSQSMTXQWSY-AEFFLSMTSA-N 2 0 349.494 3.081 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034613037 1342648917 /nfs/dbraw/zinc/64/89/17/1342648917.db2.gz XDKLPDJONSMQTD-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001034657092 1342675071 /nfs/dbraw/zinc/67/50/71/1342675071.db2.gz YZLMDIBBHUABDM-WKILWMFISA-N 2 0 337.533 3.096 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034662187 1342676912 /nfs/dbraw/zinc/67/69/12/1342676912.db2.gz FUIPKRAGIXWOBT-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034662514 1342677048 /nfs/dbraw/zinc/67/70/48/1342677048.db2.gz NBAHKSNMZBMLCV-UFYCRDLUSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)ccc2c[nH+]cn21 ZINC001034679595 1342689104 /nfs/dbraw/zinc/68/91/04/1342689104.db2.gz JBOBIEWMJIHYQY-QAQDUYKDSA-N 2 0 340.471 3.073 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001034737942 1342729434 /nfs/dbraw/zinc/72/94/34/1342729434.db2.gz PCSYVQMHGKXEGK-WDSOQIARSA-N 2 0 347.547 3.068 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCC3)CC2)CC1 ZINC001034762405 1342743028 /nfs/dbraw/zinc/74/30/28/1342743028.db2.gz FJJLQZLMKWPDIV-MXVIHJGJSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034792099 1342761132 /nfs/dbraw/zinc/76/11/32/1342761132.db2.gz FALNBQNOYOZYOZ-FCGDIQPGSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034816528 1342779951 /nfs/dbraw/zinc/77/99/51/1342779951.db2.gz QTKQCXHVHALNHX-HXUWFJFHSA-N 2 0 343.515 3.065 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001034830674 1342791427 /nfs/dbraw/zinc/79/14/27/1342791427.db2.gz ZEVPSANRBGVDTE-LJQANCHMSA-N 2 0 331.504 3.064 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)c1 ZINC001034958094 1342852251 /nfs/dbraw/zinc/85/22/51/1342852251.db2.gz ZVWOOSKTIFJXMK-FXAWDEMLSA-N 2 0 343.515 3.121 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034958657 1342853860 /nfs/dbraw/zinc/85/38/60/1342853860.db2.gz LZRHODAFDCDKGM-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CCCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001034971003 1342857240 /nfs/dbraw/zinc/85/72/40/1342857240.db2.gz AILBFSVTTASBGQ-WOJBJXKFSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034972729 1342859028 /nfs/dbraw/zinc/85/90/28/1342859028.db2.gz IFFWBJCPFVVDSK-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)[NH+]1CCCCCC1 ZINC001035069731 1342911179 /nfs/dbraw/zinc/91/11/79/1342911179.db2.gz DVGUQLCCLNOEON-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC3(CC[N@H+](CCC(C)(C)C)C3)CC2)CCC1 ZINC001035194308 1343008494 /nfs/dbraw/zinc/00/84/94/1343008494.db2.gz ZRGHAZCBOZRDSI-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035209926 1343028486 /nfs/dbraw/zinc/02/84/86/1343028486.db2.gz DSWPUDMSXOAHJF-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+](CCC3CCCCC3)C2)CC1)[NH+](C)C ZINC001035733590 1343159370 /nfs/dbraw/zinc/15/93/70/1343159370.db2.gz VWBZYYNYIHTCCW-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001036448259 1343493395 /nfs/dbraw/zinc/49/33/95/1343493395.db2.gz BCBXOCCOCUNWIV-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036581585 1343564465 /nfs/dbraw/zinc/56/44/65/1343564465.db2.gz ULKFECVTDGSDDP-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036730970 1343661270 /nfs/dbraw/zinc/66/12/70/1343661270.db2.gz MCZCVLUBIUFALP-WBVHZDCISA-N 2 0 349.544 3.146 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833109 1343772652 /nfs/dbraw/zinc/77/26/52/1343772652.db2.gz OJIPRGONSFFMHB-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001037017997 1343932795 /nfs/dbraw/zinc/93/27/95/1343932795.db2.gz NSBBLJBLYYMEIO-RDJZCZTQSA-N 2 0 349.544 3.098 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001037072354 1343966570 /nfs/dbraw/zinc/96/65/70/1343966570.db2.gz VIMITKFCRHQDCU-WOJBJXKFSA-N 2 0 349.563 3.173 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037104415 1343975363 /nfs/dbraw/zinc/97/53/63/1343975363.db2.gz UELGUCHTKZAILI-RBUKOAKNSA-N 2 0 349.563 3.029 20 0 EGADRP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1)c1ccn2c[nH+]cc2c1 ZINC001037205187 1344040843 /nfs/dbraw/zinc/04/08/43/1344040843.db2.gz YIKDVTUDLTXYSA-HKUYNNGSSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001037212464 1344045860 /nfs/dbraw/zinc/04/58/60/1344045860.db2.gz MGGRWODWUAWPIP-RDJZCZTQSA-N 2 0 349.544 3.098 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C(C)C)o1 ZINC001037280966 1344071930 /nfs/dbraw/zinc/07/19/30/1344071930.db2.gz YXYGKSBEAUMLIN-FUHWJXTLSA-N 2 0 349.519 3.408 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]C(C)C)o1 ZINC001037280964 1344071964 /nfs/dbraw/zinc/07/19/64/1344071964.db2.gz YXYGKSBEAUMLIN-AEFFLSMTSA-N 2 0 349.519 3.408 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001038268249 1344348710 /nfs/dbraw/zinc/34/87/10/1344348710.db2.gz DHWSMZHMWCQYKA-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038320217 1344378335 /nfs/dbraw/zinc/37/83/35/1344378335.db2.gz HJFQTMZKGVJDQY-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038340386 1344386449 /nfs/dbraw/zinc/38/64/49/1344386449.db2.gz NCLNVZOANMLFHI-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038341243 1344387872 /nfs/dbraw/zinc/38/78/72/1344387872.db2.gz QFUSTAJDOVLRLX-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038406157 1344414670 /nfs/dbraw/zinc/41/46/70/1344414670.db2.gz ASWNNJILUAFMNI-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038444498 1344430760 /nfs/dbraw/zinc/43/07/60/1344430760.db2.gz MVSKHYYAQBVRAP-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCC2)cc1 ZINC001038818511 1344595270 /nfs/dbraw/zinc/59/52/70/1344595270.db2.gz NNWWADPAKLRMFG-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCCC2)CC1 ZINC001038862883 1344617412 /nfs/dbraw/zinc/61/74/12/1344617412.db2.gz JMLYYBVIDWAGQY-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)c2ccccc2)CC1 ZINC001038872470 1344621828 /nfs/dbraw/zinc/62/18/28/1344621828.db2.gz PEKHUKHJGVUVNB-YLJYHZDGSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC(CC)CC ZINC001038907818 1344645874 /nfs/dbraw/zinc/64/58/74/1344645874.db2.gz DQNKBOYYRZUMIH-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC(CC)CC ZINC001038907730 1344646169 /nfs/dbraw/zinc/64/61/69/1344646169.db2.gz DQNKBOYYRZUMIH-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCC1 ZINC001038910172 1344647739 /nfs/dbraw/zinc/64/77/39/1344647739.db2.gz VASGKRMRBQXQKS-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039215913 1344932348 /nfs/dbraw/zinc/93/23/48/1344932348.db2.gz WWNILXOCJAFJPZ-UYAOXDASSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039301414 1345003821 /nfs/dbraw/zinc/00/38/21/1345003821.db2.gz IHIANIRZIFHEGU-XVLXNVKGSA-N 2 0 335.536 3.161 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375727 1345033932 /nfs/dbraw/zinc/03/39/32/1345033932.db2.gz UVYSZOPBHSPGLL-OTWHNJEPSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040346332 1345445013 /nfs/dbraw/zinc/44/50/13/1345445013.db2.gz BQSOHOOMWVIWDA-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349128 1345447367 /nfs/dbraw/zinc/44/73/67/1345447367.db2.gz VGUALUWYJUXYHY-PZJWPPBQSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040744958 1345573118 /nfs/dbraw/zinc/57/31/18/1345573118.db2.gz FPBNOABKBDIBTA-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040912502 1345598875 /nfs/dbraw/zinc/59/88/75/1345598875.db2.gz OXUXWSXQDAAXNS-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357155 1345708705 /nfs/dbraw/zinc/70/87/05/1345708705.db2.gz FGFCHSZYYKHUMD-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536025 1345755123 /nfs/dbraw/zinc/75/51/23/1345755123.db2.gz LUQDCPLJINHPEX-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590691 1345785362 /nfs/dbraw/zinc/78/53/62/1345785362.db2.gz SAUBNGGVLIOYBJ-TZIWHRDSSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590689 1345785777 /nfs/dbraw/zinc/78/57/77/1345785777.db2.gz SAUBNGGVLIOYBJ-FPOVZHCZSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCCC3)C2)C1)[NH+](C)C ZINC001041694662 1345821164 /nfs/dbraw/zinc/82/11/64/1345821164.db2.gz XGTDEHRLASEWPW-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041845948 1345871544 /nfs/dbraw/zinc/87/15/44/1345871544.db2.gz STQAROPCYQQKEF-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCC2CCCCC2)C1 ZINC001044183928 1346267700 /nfs/dbraw/zinc/26/77/00/1346267700.db2.gz WMFRLDUICAYONS-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044731191 1346414810 /nfs/dbraw/zinc/41/48/10/1346414810.db2.gz DXZITMYZXKDTLV-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767627 1346424535 /nfs/dbraw/zinc/42/45/35/1346424535.db2.gz QBMICHGCQHTMMP-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001044778528 1346426658 /nfs/dbraw/zinc/42/66/58/1346426658.db2.gz ZIUXDRQOHLTVIE-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045229924 1346536237 /nfs/dbraw/zinc/53/62/37/1346536237.db2.gz ZMBWQNQGDVFQPN-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC001045322270 1346560019 /nfs/dbraw/zinc/56/00/19/1346560019.db2.gz JZXFUBXKFRCPCI-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001045438000 1346594230 /nfs/dbraw/zinc/59/42/30/1346594230.db2.gz IKGWXULJQZSYGC-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCC2)CCC1 ZINC001045793433 1346699745 /nfs/dbraw/zinc/69/97/45/1346699745.db2.gz PZZLLHXHLNVCME-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001045891885 1346735139 /nfs/dbraw/zinc/73/51/39/1346735139.db2.gz JDRHMOMAPNKDAM-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045943291 1346779151 /nfs/dbraw/zinc/77/91/51/1346779151.db2.gz HNCCHUASYMEBKX-TZIWHRDSSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001046315283 1346931164 /nfs/dbraw/zinc/93/11/64/1346931164.db2.gz JNGRPJYSCJRSRO-CTNGQTDRSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001046743160 1347079565 /nfs/dbraw/zinc/07/95/65/1347079565.db2.gz WZJIYCHEBVHFIK-NRFANRHFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CCC3CC3)C2)o1 ZINC001046864979 1347137445 /nfs/dbraw/zinc/13/74/45/1347137445.db2.gz ZDZSCTPEFZYBEX-FQEVSTJZSA-N 2 0 347.503 3.116 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047243075 1347268581 /nfs/dbraw/zinc/26/85/81/1347268581.db2.gz VXRAIDIVTQVYNV-YZGWKJHDSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001047246617 1347271716 /nfs/dbraw/zinc/27/17/16/1347271716.db2.gz SVBQDWLYDLXKPP-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001047870103 1347394805 /nfs/dbraw/zinc/39/48/05/1347394805.db2.gz UEDMXPPYIDIVHB-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCC(C)(C)CC1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048056771 1347454481 /nfs/dbraw/zinc/45/44/81/1347454481.db2.gz AGJOUWGTHDJTBW-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048480621 1347562339 /nfs/dbraw/zinc/56/23/39/1347562339.db2.gz VAPBMERMLJYHGZ-ICSRJNTNSA-N 2 0 347.547 3.047 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001048538472 1347583466 /nfs/dbraw/zinc/58/34/66/1347583466.db2.gz WFGMACOXCXVAAC-RDGPPVDQSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001048622421 1347622493 /nfs/dbraw/zinc/62/24/93/1347622493.db2.gz FTPSZIBFDJFSPR-MUGJNUQGSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473294 1347866073 /nfs/dbraw/zinc/86/60/73/1347866073.db2.gz JUAODBSVDSRTMZ-YZGWKJHDSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477870 1347868756 /nfs/dbraw/zinc/86/87/56/1347868756.db2.gz JPJJFWWLVWWTTP-MSOLQXFVSA-N 2 0 335.536 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCC2CCC2)CCC1 ZINC001049516760 1347887764 /nfs/dbraw/zinc/88/77/64/1347887764.db2.gz FSHAVOMQYJQOGP-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049524961 1347892202 /nfs/dbraw/zinc/89/22/02/1347892202.db2.gz OTKPUXNDGDRYQG-VAMGGRTRSA-N 2 0 347.547 3.259 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001049709783 1347985472 /nfs/dbraw/zinc/98/54/72/1347985472.db2.gz JNMVWVYNHIRHDV-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716669 1347989121 /nfs/dbraw/zinc/98/91/21/1347989121.db2.gz GDRIROBDHWURPA-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001049768167 1348011269 /nfs/dbraw/zinc/01/12/69/1348011269.db2.gz UFGYOPRBBNHAFG-YZGWKJHDSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049837441 1348050211 /nfs/dbraw/zinc/05/02/11/1348050211.db2.gz PQOQSARRVHKVPL-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001079805472 1357387937 /nfs/dbraw/zinc/38/79/37/1357387937.db2.gz SFRZYACAPRQQKY-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001049896274 1348098508 /nfs/dbraw/zinc/09/85/08/1348098508.db2.gz MLALKHCMKSICLK-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1 ZINC001049898218 1348099651 /nfs/dbraw/zinc/09/96/51/1348099651.db2.gz XOQBCNWHKHAZHK-WOJBJXKFSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)[NH+](C)C ZINC001050075644 1348174174 /nfs/dbraw/zinc/17/41/74/1348174174.db2.gz LVUBVFFEGXGGFH-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001050247623 1348217684 /nfs/dbraw/zinc/21/76/84/1348217684.db2.gz JXSXFEVUUWCADT-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC1CC1 ZINC001050245924 1348217711 /nfs/dbraw/zinc/21/77/11/1348217711.db2.gz WBWZPGPFUNZCSX-FQEVSTJZSA-N 2 0 343.515 3.017 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)CC1CC1 ZINC001050245925 1348217824 /nfs/dbraw/zinc/21/78/24/1348217824.db2.gz WBWZPGPFUNZCSX-HXUWFJFHSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001050270562 1348224021 /nfs/dbraw/zinc/22/40/21/1348224021.db2.gz VBPMSACCDPFPRA-INIZCTEOSA-N 2 0 343.515 3.095 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050332974 1348229678 /nfs/dbraw/zinc/22/96/78/1348229678.db2.gz PYWTYAPUOZOMJM-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001050367228 1348240732 /nfs/dbraw/zinc/24/07/32/1348240732.db2.gz JBLFGDACEZKEMK-MISYRCLQSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC001050534633 1348285592 /nfs/dbraw/zinc/28/55/92/1348285592.db2.gz KNNBIAPENGRLNG-UHFFFAOYSA-N 2 0 349.544 3.148 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381384 1348537157 /nfs/dbraw/zinc/53/71/57/1348537157.db2.gz PRYDSNMRCXUQGJ-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052499484 1348560466 /nfs/dbraw/zinc/56/04/66/1348560466.db2.gz WDBJTSMVKXGAAI-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527255 1348566751 /nfs/dbraw/zinc/56/67/51/1348566751.db2.gz VFAVRPHMAHRPAL-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052713451 1348645918 /nfs/dbraw/zinc/64/59/18/1348645918.db2.gz XNRBFJPHAULENL-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)cs1 ZINC001052716866 1348646095 /nfs/dbraw/zinc/64/60/95/1348646095.db2.gz QDYYPBLWYGQCJW-CRAIPNDOSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052763714 1348668834 /nfs/dbraw/zinc/66/88/34/1348668834.db2.gz JCVPSMGAGRCSQD-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC1 ZINC001052766941 1348670854 /nfs/dbraw/zinc/67/08/54/1348670854.db2.gz QCXXHZWBDOKQKA-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC1 ZINC001052819984 1348689743 /nfs/dbraw/zinc/68/97/43/1348689743.db2.gz KMSXWNIIMDIOJW-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(C)C)CC1 ZINC001052858306 1348704716 /nfs/dbraw/zinc/70/47/16/1348704716.db2.gz BSTQTLCYISVKQG-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052867397 1348710716 /nfs/dbraw/zinc/71/07/16/1348710716.db2.gz LYJKPYWLZWRMQY-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052956587 1348770449 /nfs/dbraw/zinc/77/04/49/1348770449.db2.gz VKCQFOGWZKVHJG-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCC2CCC2)CC1 ZINC001052983708 1348788534 /nfs/dbraw/zinc/78/85/34/1348788534.db2.gz CYQWKEITCOVBGS-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050627 1348853300 /nfs/dbraw/zinc/85/33/00/1348853300.db2.gz GSRIJBNYYZPBLF-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001053090784 1348916367 /nfs/dbraw/zinc/91/63/67/1348916367.db2.gz IODSOGRNDZELKF-MJGOQNOKSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054155889 1349158601 /nfs/dbraw/zinc/15/86/01/1349158601.db2.gz CPAXLOSZJKDGGR-NRFANRHFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198289 1349200865 /nfs/dbraw/zinc/20/08/65/1349200865.db2.gz UVPMLNYEQBCWNK-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054267517 1349264435 /nfs/dbraw/zinc/26/44/35/1349264435.db2.gz YGWQAYBVFYDZHE-HXUWFJFHSA-N 2 0 343.515 3.149 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054290008 1349294198 /nfs/dbraw/zinc/29/41/98/1349294198.db2.gz YNVIYHBTYZSVHY-FXAWDEMLSA-N 2 0 343.515 3.149 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054736746 1349450068 /nfs/dbraw/zinc/45/00/68/1349450068.db2.gz NIKALGQVNRRJEX-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001054968176 1349530664 /nfs/dbraw/zinc/53/06/64/1349530664.db2.gz CZSUFOKQLFNMDD-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001080318488 1357572410 /nfs/dbraw/zinc/57/24/10/1357572410.db2.gz ULOBELSTMKFAOW-AHRSYUTCSA-N 2 0 347.547 3.020 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001183082563 1387259367 /nfs/dbraw/zinc/25/93/67/1387259367.db2.gz YUJYRWATKYRORM-UQKJKQERSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924469 1359250057 /nfs/dbraw/zinc/25/00/57/1359250057.db2.gz TZLUVWHUEGCIQV-GUDVDZBRSA-N 2 0 349.563 3.076 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071689153 1354852322 /nfs/dbraw/zinc/85/23/22/1354852322.db2.gz GPOWOUINFKRYCX-QAPCUYQASA-N 2 0 342.487 3.353 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071896244 1355011788 /nfs/dbraw/zinc/01/17/88/1355011788.db2.gz FGSQPFDIUOPQLG-LPHOPBHVSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096360 1355127133 /nfs/dbraw/zinc/12/71/33/1355127133.db2.gz YBWBHMWXDZSQBN-PXNSSMCTSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099424 1355129318 /nfs/dbraw/zinc/12/93/18/1355129318.db2.gz QOBDNPHKDKEAIU-IEBWSBKVSA-N 2 0 345.531 3.377 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CC3)C2)o1 ZINC001072109575 1355136684 /nfs/dbraw/zinc/13/66/84/1355136684.db2.gz JHSLWRDJRPABJQ-DOTOQJQBSA-N 2 0 347.503 3.114 20 0 EGADRP CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072909514 1355492309 /nfs/dbraw/zinc/49/23/09/1355492309.db2.gz DRBSJMXCCRTINV-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033522 1355561816 /nfs/dbraw/zinc/56/18/16/1355561816.db2.gz NJWPTVGPOSNMST-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001094241657 1361758570 /nfs/dbraw/zinc/75/85/70/1361758570.db2.gz UNTJEJNQUZGRIF-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCC2)C1 ZINC001074023726 1356040335 /nfs/dbraw/zinc/04/03/35/1356040335.db2.gz CPVRTMZWTRQANH-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1C)[NH+](C)C ZINC001074029051 1356042763 /nfs/dbraw/zinc/04/27/63/1356042763.db2.gz YABQALNLBAYPPX-WOJBJXKFSA-N 2 0 345.531 3.148 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001074653767 1356220831 /nfs/dbraw/zinc/22/08/31/1356220831.db2.gz NJCOAFYOVHUCKT-QRFRQXIXSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001074649273 1356221213 /nfs/dbraw/zinc/22/12/13/1356221213.db2.gz UJUXVWLGJMPTGL-YSIASYRMSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074684650 1356224309 /nfs/dbraw/zinc/22/43/09/1356224309.db2.gz ZLWAMCRGDMHAQE-IHPCNDPISA-N 2 0 347.547 3.044 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H]1C)[NH+](C)C ZINC001074709996 1356227966 /nfs/dbraw/zinc/22/79/66/1356227966.db2.gz ZAXYAOXTVAIRFD-FFZOFVMBSA-N 2 0 345.531 3.229 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183254734 1387285796 /nfs/dbraw/zinc/28/57/96/1387285796.db2.gz DSLUVULHZDYGLX-MGBKSAOESA-N 2 0 335.536 3.186 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098375 1363621004 /nfs/dbraw/zinc/62/10/04/1363621004.db2.gz OMBSIQLOPLJAFN-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107385 1363625837 /nfs/dbraw/zinc/62/58/37/1363625837.db2.gz YWHDZRSMIGYQBZ-YMHTTXFNSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106877 1363625985 /nfs/dbraw/zinc/62/59/85/1363625985.db2.gz QSSNPPRCCONNIH-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106966 1363626572 /nfs/dbraw/zinc/62/65/72/1363626572.db2.gz UIIIMWNPRIXDLU-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078639139 1357046975 /nfs/dbraw/zinc/04/69/75/1357046975.db2.gz CMBJXROMQOEQIE-HZPDHXFCSA-N 2 0 349.544 3.096 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078639138 1357046986 /nfs/dbraw/zinc/04/69/86/1357046986.db2.gz CMBJXROMQOEQIE-HOTGVXAUSA-N 2 0 349.544 3.096 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001082698382 1358077975 /nfs/dbraw/zinc/07/79/75/1358077975.db2.gz FJDWAIOWMHECFZ-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517089 1387316237 /nfs/dbraw/zinc/31/62/37/1387316237.db2.gz OOLPUQQWPMRTDG-QWFCFKBJSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001183561921 1387319142 /nfs/dbraw/zinc/31/91/42/1387319142.db2.gz BVQWYDWOELMJKX-OXQOHEQNSA-N 2 0 349.519 3.219 20 0 EGADRP CC[NH+]1CCC(C[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC001183581328 1387320772 /nfs/dbraw/zinc/32/07/72/1387320772.db2.gz GBDMTIUZKYYMQM-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001085215887 1358435895 /nfs/dbraw/zinc/43/58/95/1358435895.db2.gz UVGGTHWYARDKCW-HZPDHXFCSA-N 2 0 337.533 3.096 20 0 EGADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085308168 1358462079 /nfs/dbraw/zinc/46/20/79/1358462079.db2.gz GMRASAUYROFGBA-GUDVDZBRSA-N 2 0 335.536 3.211 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)CC1 ZINC001085353014 1358476495 /nfs/dbraw/zinc/47/64/95/1358476495.db2.gz JBVRXVGNISUCPF-WOJBJXKFSA-N 2 0 347.547 3.236 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)CC1 ZINC001085374597 1358481815 /nfs/dbraw/zinc/48/18/15/1358481815.db2.gz ZCKSINCMBJORMG-WOJBJXKFSA-N 2 0 347.547 3.236 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085629429 1358647077 /nfs/dbraw/zinc/64/70/77/1358647077.db2.gz UDIKGFBXUOZCAG-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCC1 ZINC001085688854 1358689556 /nfs/dbraw/zinc/68/95/56/1358689556.db2.gz STCJXEOOWYEOGF-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725664 1358713666 /nfs/dbraw/zinc/71/36/66/1358713666.db2.gz CGIMVLOCYVHFJL-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001085784544 1358759340 /nfs/dbraw/zinc/75/93/40/1358759340.db2.gz WSZXAYRAWWPDKJ-IHPCNDPISA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085855891 1358823967 /nfs/dbraw/zinc/82/39/67/1358823967.db2.gz LZHIQLFOVNFHCJ-RTBURBONSA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085987736 1358939563 /nfs/dbraw/zinc/93/95/63/1358939563.db2.gz KKWRRXXUIRKZGD-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086084932 1358992057 /nfs/dbraw/zinc/99/20/57/1358992057.db2.gz LHCKXSQNHZZUQX-ZCNNSNEGSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001086119338 1359001578 /nfs/dbraw/zinc/00/15/78/1359001578.db2.gz KMEFKFOFDRQYFF-WCIQWLHISA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001086186853 1359020814 /nfs/dbraw/zinc/02/08/14/1359020814.db2.gz RYVFXSKPNUKERE-PUZFROQSSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001086403188 1359088419 /nfs/dbraw/zinc/08/84/19/1359088419.db2.gz ZECLESJSAFSQRG-LEAZDLGRSA-N 2 0 343.515 3.106 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086533782 1359135037 /nfs/dbraw/zinc/13/50/37/1359135037.db2.gz ZTEZMZGAKDMCFO-WNHJNPCNSA-N 2 0 349.563 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086712197 1359190126 /nfs/dbraw/zinc/19/01/26/1359190126.db2.gz UZVRJOLDFFHVCI-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925189 1359250234 /nfs/dbraw/zinc/25/02/34/1359250234.db2.gz NUDDSEVRJVHZSE-CEXWTWQISA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC2(CN1C(=O)[C@@H]1CC[N@H+](C)C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086956614 1359277858 /nfs/dbraw/zinc/27/78/58/1359277858.db2.gz RHFAFIMJFJGDLH-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318426 1359409544 /nfs/dbraw/zinc/40/95/44/1359409544.db2.gz XRXFVEPWLSUNMA-HOJAQTOUSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCCC1CCC1 ZINC001087569642 1359536341 /nfs/dbraw/zinc/53/63/41/1359536341.db2.gz GKBMILGNQXNOAF-ZCNNSNEGSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC1CCC1 ZINC001087749415 1359626637 /nfs/dbraw/zinc/62/66/37/1359626637.db2.gz KADQQXZOIMNXIK-YTQUADARSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212895 1359797230 /nfs/dbraw/zinc/79/72/30/1359797230.db2.gz ZOOSASAOVKHMJJ-AABGKKOBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088382027 1359865333 /nfs/dbraw/zinc/86/53/33/1359865333.db2.gz SFEPSBOUOYZLMY-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399448 1359874131 /nfs/dbraw/zinc/87/41/31/1359874131.db2.gz LEUANNSFAPLERO-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399982 1359874769 /nfs/dbraw/zinc/87/47/69/1359874769.db2.gz ZGRAREFDJNFCJU-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001088792362 1360046090 /nfs/dbraw/zinc/04/60/90/1360046090.db2.gz JDXVYGFZVBFJDD-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCC1CCCCCC1 ZINC001088983719 1360124429 /nfs/dbraw/zinc/12/44/29/1360124429.db2.gz LKWLBGXGMZBWEJ-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001089217579 1360262371 /nfs/dbraw/zinc/26/23/71/1360262371.db2.gz MHJGIPLRVSCDCQ-TZCBXBLLSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334879 1360347854 /nfs/dbraw/zinc/34/78/54/1360347854.db2.gz KYICBGBLSKWIGN-ZWKOTPCHSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089400658 1360400084 /nfs/dbraw/zinc/40/00/84/1360400084.db2.gz KEJYBYGNARXOQK-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492539 1360470244 /nfs/dbraw/zinc/47/02/44/1360470244.db2.gz KDVUBJKGYPRPHA-ZWKOTPCHSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493629 1360470554 /nfs/dbraw/zinc/47/05/54/1360470554.db2.gz YLVYDTGUVWTDTP-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089512009 1360483172 /nfs/dbraw/zinc/48/31/72/1360483172.db2.gz YASTXGUHEQJMFO-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089516304 1360486284 /nfs/dbraw/zinc/48/62/84/1360486284.db2.gz DXAVZRCKOOEHCB-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC1(C)C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CCCCC2)C1 ZINC001089564292 1360510784 /nfs/dbraw/zinc/51/07/84/1360510784.db2.gz XSWRMIRQTVBUHK-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089639389 1360553328 /nfs/dbraw/zinc/55/33/28/1360553328.db2.gz VJEVAXRSFQZVNK-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664183 1360574370 /nfs/dbraw/zinc/57/43/70/1360574370.db2.gz DTYVJGIKMSTPFV-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089734109 1360638411 /nfs/dbraw/zinc/63/84/11/1360638411.db2.gz ITAJBEVCJMQZHW-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001323835472 1387469358 /nfs/dbraw/zinc/46/93/58/1387469358.db2.gz JMIUJDRTSVGHDA-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091059602 1360987394 /nfs/dbraw/zinc/98/73/94/1360987394.db2.gz SCYSEHWHHRHVGM-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091754548 1361212218 /nfs/dbraw/zinc/21/22/18/1361212218.db2.gz TZAJUQFFUMILGF-LQWHRVPQSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1)c1ccccc1 ZINC001184629197 1387501471 /nfs/dbraw/zinc/50/14/71/1387501471.db2.gz UGAUELILEREHOL-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092021860 1361275531 /nfs/dbraw/zinc/27/55/31/1361275531.db2.gz KRJRNTBHCBRFFN-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782228 1361453548 /nfs/dbraw/zinc/45/35/48/1361453548.db2.gz ICWADQPVXBNTAF-CRAIPNDOSA-N 2 0 342.487 3.068 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001184711138 1387515873 /nfs/dbraw/zinc/51/58/73/1387515873.db2.gz BPCUOLKSMZTJRG-PKOBYXMFSA-N 2 0 349.563 3.291 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184722979 1387520750 /nfs/dbraw/zinc/52/07/50/1387520750.db2.gz GIIZHTZOXUPRCK-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001184714020 1387517616 /nfs/dbraw/zinc/51/76/16/1387517616.db2.gz VMUBVNDQJUXUCZ-IRXDYDNUSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001184714018 1387517762 /nfs/dbraw/zinc/51/77/62/1387517762.db2.gz VMUBVNDQJUXUCZ-IAGOWNOFSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184734176 1387523173 /nfs/dbraw/zinc/52/31/73/1387523173.db2.gz HPYQYUWOJIDSOS-FUHWJXTLSA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457171 1361808781 /nfs/dbraw/zinc/80/87/81/1361808781.db2.gz VPIPORRHNYMJCV-SFHLNBCPSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891455 1387555860 /nfs/dbraw/zinc/55/58/60/1387555860.db2.gz GPGDFBFBRLBDTH-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095499016 1362157583 /nfs/dbraw/zinc/15/75/83/1362157583.db2.gz NARCJXBSFKWCPY-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(CC)CC)C1 ZINC001095903789 1362279533 /nfs/dbraw/zinc/27/95/33/1362279533.db2.gz LWZYZEVXKYRCBW-ZRNYENFQSA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185030231 1387591806 /nfs/dbraw/zinc/59/18/06/1387591806.db2.gz JWPZOJJMANCWGN-YMHTTXFNSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097176931 1362874929 /nfs/dbraw/zinc/87/49/29/1362874929.db2.gz CCNWSQGLJBHBJO-BDXSIMOUSA-N 2 0 335.536 3.019 20 0 EGADRP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001098812164 1363477502 /nfs/dbraw/zinc/47/75/02/1363477502.db2.gz AACJEFZHWZJQLK-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875850 1363501598 /nfs/dbraw/zinc/50/15/98/1363501598.db2.gz WVJBELFEMANNFS-NSHGMRRFSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001324458202 1387629569 /nfs/dbraw/zinc/62/95/69/1387629569.db2.gz XSWVEXUGJPATNZ-IRXDYDNUSA-N 2 0 348.560 3.358 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185171476 1387632572 /nfs/dbraw/zinc/63/25/72/1387632572.db2.gz WHWOQAHMOZFPPE-FNYRVFDFSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCC1)C2 ZINC001099028413 1363583089 /nfs/dbraw/zinc/58/30/89/1363583089.db2.gz XOCMBEIGDHQOKX-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059319 1363599947 /nfs/dbraw/zinc/59/99/47/1363599947.db2.gz DFPLNVZKMAPLIW-HBFSDRIKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001099106601 1363625176 /nfs/dbraw/zinc/62/51/76/1363625176.db2.gz JWSGMKHZNWVBCY-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110811 1363628523 /nfs/dbraw/zinc/62/85/23/1363628523.db2.gz JIHNVSBJYRWGDV-GOSISDBHSA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099199907 1363688392 /nfs/dbraw/zinc/68/83/92/1363688392.db2.gz RPSLAEGHHZSGQY-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234018 1363705544 /nfs/dbraw/zinc/70/55/44/1363705544.db2.gz GBTODHPGSHLPED-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099235140 1363706133 /nfs/dbraw/zinc/70/61/33/1363706133.db2.gz POZIWVUXWVIYCP-HMTUNPETSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099276984 1363728489 /nfs/dbraw/zinc/72/84/89/1363728489.db2.gz ZLFPRDMVSFCSCZ-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099311136 1363744737 /nfs/dbraw/zinc/74/47/37/1363744737.db2.gz YIYAZYIINWAJLW-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099535512 1363837922 /nfs/dbraw/zinc/83/79/22/1363837922.db2.gz GXTCGEPBUYUSPB-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC001100407765 1364104602 /nfs/dbraw/zinc/10/46/02/1364104602.db2.gz IQQXFGSJMGEBIH-NKELODKYSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001100426380 1364109923 /nfs/dbraw/zinc/10/99/23/1364109923.db2.gz FJLPQWXRLJEKRC-ACBHZAAOSA-N 2 0 337.552 3.027 20 0 EGADRP O=C(NCC1CC([NH2+]CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001100476166 1364128720 /nfs/dbraw/zinc/12/87/20/1364128720.db2.gz AAQFFYUIJPMJGM-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100506626 1364139657 /nfs/dbraw/zinc/13/96/57/1364139657.db2.gz BYAFCGFSHKVSFW-UHFFFAOYSA-N 2 0 342.487 3.259 20 0 EGADRP CC(C)CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537353 1364151467 /nfs/dbraw/zinc/15/14/67/1364151467.db2.gz QIRHAPGFHDVIMM-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)(C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001100562319 1364163945 /nfs/dbraw/zinc/16/39/45/1364163945.db2.gz JANGZTFECSKZKW-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100668690 1364211177 /nfs/dbraw/zinc/21/11/77/1364211177.db2.gz FDMLGKHVWOYOHG-ZPAPTSFBSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)c1ccccc1F ZINC001100887782 1364313331 /nfs/dbraw/zinc/31/33/31/1364313331.db2.gz RLSSCUKUIOMCJY-GTPINHCMSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]([NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001101024969 1364379902 /nfs/dbraw/zinc/37/99/02/1364379902.db2.gz PFWXQAQWTNVLBN-PGYGNJIDSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]([NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001101031401 1364382180 /nfs/dbraw/zinc/38/21/80/1364382180.db2.gz BKPJAPPPGCRBKM-PGYGNJIDSA-N 2 0 343.515 3.108 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101066667 1364398102 /nfs/dbraw/zinc/39/81/02/1364398102.db2.gz BTAZZQDWZXAFER-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101285243 1364498488 /nfs/dbraw/zinc/49/84/88/1364498488.db2.gz UNOCQDBTRXXXLE-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101418221 1364553632 /nfs/dbraw/zinc/55/36/32/1364553632.db2.gz GPYRQQDMYVKFDX-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474299 1364575820 /nfs/dbraw/zinc/57/58/20/1364575820.db2.gz RSDXBIIGRNVABI-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185360974 1387691862 /nfs/dbraw/zinc/69/18/62/1387691862.db2.gz RILPEHPKTYIPDG-KPDZFXRVSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001101590186 1364640797 /nfs/dbraw/zinc/64/07/97/1364640797.db2.gz CURYAPMRZSVQLL-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021144 1364813937 /nfs/dbraw/zinc/81/39/37/1364813937.db2.gz IXFFZXNYHVOQDK-ODWICZQRSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045090 1364821622 /nfs/dbraw/zinc/82/16/22/1364821622.db2.gz REENEFUKUAMUFJ-PFRNKHFKSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051648 1364823430 /nfs/dbraw/zinc/82/34/30/1364823430.db2.gz CKOHKFJKDHCCHR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001102109457 1364862999 /nfs/dbraw/zinc/86/29/99/1364862999.db2.gz LGEHVHWETRDGNI-NVXWUHKLSA-N 2 0 342.487 3.131 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102357690 1365020830 /nfs/dbraw/zinc/02/08/30/1365020830.db2.gz FRDNLJDLFSJHGK-KURKYZTESA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430356 1365050542 /nfs/dbraw/zinc/05/05/42/1365050542.db2.gz NPYHHDPGAAECRA-SHOKJUJBSA-N 2 0 349.563 3.291 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001324646533 1387716953 /nfs/dbraw/zinc/71/69/53/1387716953.db2.gz IJQPSHWIVJHFPZ-FPOVZHCZSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472235 1365074301 /nfs/dbraw/zinc/07/43/01/1365074301.db2.gz PYMSXHCBZZCRHK-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1C[NH+](CC(C)C)C[C@H]1C)c1ccccc1 ZINC001102509035 1365093049 /nfs/dbraw/zinc/09/30/49/1365093049.db2.gz QUKLGCAIKJOLDZ-MISYRCLQSA-N 2 0 345.531 3.020 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521037 1365097219 /nfs/dbraw/zinc/09/72/19/1365097219.db2.gz NSVXXUISIMJITP-JNVNVXKGSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601853 1365131380 /nfs/dbraw/zinc/13/13/80/1365131380.db2.gz SOGAKYCGOHNZAL-PFRNKHFKSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601852 1365131443 /nfs/dbraw/zinc/13/14/43/1365131443.db2.gz SOGAKYCGOHNZAL-JCHUFIKGSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001102977403 1365324493 /nfs/dbraw/zinc/32/44/93/1365324493.db2.gz ZJLLJWBFCNZEOL-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987776 1365328406 /nfs/dbraw/zinc/32/84/06/1365328406.db2.gz QPQOMJHYMXZXAT-QRVBRYPASA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185546492 1387744137 /nfs/dbraw/zinc/74/41/37/1387744137.db2.gz CKMJBMPSHGZZDQ-XSAZBNQGSA-N 2 0 337.552 3.149 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439500 1365561725 /nfs/dbraw/zinc/56/17/25/1365561725.db2.gz FDKIEXYTYKNCTF-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648899 1365700816 /nfs/dbraw/zinc/70/08/16/1365700816.db2.gz QTFZZJIPYQMHMA-IAGOWNOFSA-N 2 0 346.519 3.026 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722553 1365748817 /nfs/dbraw/zinc/74/88/17/1365748817.db2.gz SPTHXSSEGQTBSD-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001103755458 1365766263 /nfs/dbraw/zinc/76/62/63/1365766263.db2.gz HVEFQNJVVWSOBC-UYAOXDASSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291337 1365977636 /nfs/dbraw/zinc/97/76/36/1365977636.db2.gz MSFOWYINGFOIJE-QWFCFKBJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355039 1365983480 /nfs/dbraw/zinc/98/34/80/1365983480.db2.gz KTODIPAOVMEBSR-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388213 1365998987 /nfs/dbraw/zinc/99/89/87/1365998987.db2.gz LWKMXVYKQAKTFG-JFIYKMOQSA-N 2 0 342.487 3.068 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104452734 1366034229 /nfs/dbraw/zinc/03/42/29/1366034229.db2.gz RZCPGFSFAVRPIR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccc(F)cc1 ZINC001185705517 1387783083 /nfs/dbraw/zinc/78/30/83/1387783083.db2.gz DXBXXKPEPKHECB-MAUKXSAKSA-N 2 0 349.494 3.055 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001185728216 1387785183 /nfs/dbraw/zinc/78/51/83/1387785183.db2.gz DBZYVEJVQGQBLK-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104594581 1366094022 /nfs/dbraw/zinc/09/40/22/1366094022.db2.gz ABSIKPKVEOUQDV-IAGOWNOFSA-N 2 0 349.519 3.075 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104666507 1366124077 /nfs/dbraw/zinc/12/40/77/1366124077.db2.gz QARWPBOJGCIMJH-GUDVDZBRSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104896619 1366213669 /nfs/dbraw/zinc/21/36/69/1366213669.db2.gz HRXUBCGFMBESCS-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104896848 1366213949 /nfs/dbraw/zinc/21/39/49/1366213949.db2.gz RXEGWLVUEHRFOU-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104932764 1366229528 /nfs/dbraw/zinc/22/95/28/1366229528.db2.gz MSRRSGLQJLOPIF-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2[NH+](CC(C)C)CC23CCC3)CC1 ZINC001105396744 1366445188 /nfs/dbraw/zinc/44/51/88/1366445188.db2.gz UUCYOUBVQDMETP-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105563349 1366533095 /nfs/dbraw/zinc/53/30/95/1366533095.db2.gz KSLZMTFXEDKVIM-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105574828 1366539827 /nfs/dbraw/zinc/53/98/27/1366539827.db2.gz JKWVCGQDXRUYGB-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105574827 1366540010 /nfs/dbraw/zinc/54/00/10/1366540010.db2.gz JKWVCGQDXRUYGB-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106133999 1366613771 /nfs/dbraw/zinc/61/37/71/1366613771.db2.gz UZQDNWPCNRTPGO-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106246493 1366632721 /nfs/dbraw/zinc/63/27/21/1366632721.db2.gz MAGYDAQYRXVZOP-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106784587 1366797769 /nfs/dbraw/zinc/79/77/69/1366797769.db2.gz JTMPEOOIXQANAE-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107028643 1366860649 /nfs/dbraw/zinc/86/06/49/1366860649.db2.gz FQJSFQREOWOETQ-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328992 1366929906 /nfs/dbraw/zinc/92/99/06/1366929906.db2.gz DTBXDMLFAGSGRQ-CSDOGUONSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)[NH+](CC)CC ZINC001107544131 1367035114 /nfs/dbraw/zinc/03/51/14/1367035114.db2.gz NOTNIMMCRMRPQJ-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544355 1367035983 /nfs/dbraw/zinc/03/59/83/1367035983.db2.gz ZFRNJVMRGCXSGL-NLWGTHIKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582615 1367057439 /nfs/dbraw/zinc/05/74/39/1367057439.db2.gz MDLWZZIQZYBYLT-UYAOXDASSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399644 1367104034 /nfs/dbraw/zinc/10/40/34/1367104034.db2.gz QIVAJCVRGLPGGM-FYQPLNBISA-N 2 0 347.547 3.305 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473751 1367145420 /nfs/dbraw/zinc/14/54/20/1367145420.db2.gz DBROXUCZORGKKW-FYQPLNBISA-N 2 0 349.563 3.409 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177271 1367191798 /nfs/dbraw/zinc/19/17/98/1367191798.db2.gz QRXOCFCWVDCPBC-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001109654014 1367265382 /nfs/dbraw/zinc/26/53/82/1367265382.db2.gz RIZBQHYPWXHNBZ-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480922 1367273055 /nfs/dbraw/zinc/27/30/55/1367273055.db2.gz MJNFPQUASBHWMI-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190485366 1367274133 /nfs/dbraw/zinc/27/41/33/1367274133.db2.gz ZPOBMNVUJDWKEC-YZBXUTEPSA-N 2 0 335.536 3.140 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001109673141 1367274995 /nfs/dbraw/zinc/27/49/95/1367274995.db2.gz FUTZLPVLTQZEAJ-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190654293 1367319301 /nfs/dbraw/zinc/31/93/01/1367319301.db2.gz JKOZSUVEMKIBIT-PWBPZBFBSA-N 2 0 335.536 3.138 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061540 1367413203 /nfs/dbraw/zinc/41/32/03/1367413203.db2.gz LRQVCKHNDCJLNN-SJLPKXTDSA-N 2 0 337.552 3.218 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001110007277 1367455716 /nfs/dbraw/zinc/45/57/16/1367455716.db2.gz OVHUEXZDZRLDJK-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001110021922 1367461691 /nfs/dbraw/zinc/46/16/91/1367461691.db2.gz NYLPFNUJGNYRLL-RNQOJCNYSA-N 2 0 343.515 3.119 20 0 EGADRP Cc1ccccc1C1CC([NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2CC2)C1 ZINC001191330608 1367478085 /nfs/dbraw/zinc/47/80/85/1367478085.db2.gz SPIVFVMHKWRLLX-UUKMXZOPSA-N 2 0 330.516 3.407 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191350771 1367482057 /nfs/dbraw/zinc/48/20/57/1367482057.db2.gz BTWOKXBCBAXFIS-IBGZPJMESA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001110160672 1367533020 /nfs/dbraw/zinc/53/30/20/1367533020.db2.gz YWWDGGYGPWYJFV-AABGKKOBSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190953 1367557504 /nfs/dbraw/zinc/55/75/04/1367557504.db2.gz ZWZLODBLNMLNBC-QYZOEREBSA-N 2 0 335.536 3.164 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108784322 1367594934 /nfs/dbraw/zinc/59/49/34/1367594934.db2.gz PTAVDTFGPATFGS-UFYCRDLUSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108800704 1367603818 /nfs/dbraw/zinc/60/38/18/1367603818.db2.gz LNNGBCSZWJPZDT-CMZLPQLFSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001191922826 1367639058 /nfs/dbraw/zinc/63/90/58/1367639058.db2.gz OPQACRJPRZEZMG-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110550493 1367826279 /nfs/dbraw/zinc/82/62/79/1367826279.db2.gz RVTQCEFDSNRFOD-AKHDSKFASA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671550 1367846739 /nfs/dbraw/zinc/84/67/39/1367846739.db2.gz MYZMLKGPONDQFU-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(CC)CC)C1 ZINC001192906498 1367901417 /nfs/dbraw/zinc/90/14/17/1367901417.db2.gz LVCZVPRVUNNDCN-IBGZPJMESA-N 2 0 339.568 3.467 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916608 1367903829 /nfs/dbraw/zinc/90/38/29/1367903829.db2.gz ABDFNGFUKHMQNE-ONNQBUSKSA-N 2 0 337.552 3.242 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693607 1367931699 /nfs/dbraw/zinc/93/16/99/1367931699.db2.gz OTEUBKTVYFEMJH-WYZCFTOYSA-N 2 0 335.536 3.041 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001110715169 1367944661 /nfs/dbraw/zinc/94/46/61/1367944661.db2.gz RAHLHTMPSKZJBM-MKXGPGLRSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280760 1367989324 /nfs/dbraw/zinc/98/93/24/1367989324.db2.gz XPGBQKLAODASJX-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP CCCN1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1=O ZINC001193484814 1368044164 /nfs/dbraw/zinc/04/41/64/1368044164.db2.gz JALXIYLREDCQCN-UHFFFAOYSA-N 2 0 343.515 3.117 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560818 1368062048 /nfs/dbraw/zinc/06/20/48/1368062048.db2.gz VHGRLZVMBSDNDL-AZUAARDMSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193643037 1368081764 /nfs/dbraw/zinc/08/17/64/1368081764.db2.gz PTGNPVGGSWXARI-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194079318 1368179439 /nfs/dbraw/zinc/17/94/39/1368179439.db2.gz BHGZQZQEWLLCDF-GOSISDBHSA-N 2 0 349.544 3.047 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001111297884 1368257606 /nfs/dbraw/zinc/25/76/06/1368257606.db2.gz ZUFZGOFQRKBUMZ-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429607 1368259155 /nfs/dbraw/zinc/25/91/55/1368259155.db2.gz KIGTWGRRTWYAGS-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001111463209 1368311305 /nfs/dbraw/zinc/31/13/05/1368311305.db2.gz DRUUIJZZQREUQS-AKHDSKFASA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001111467241 1368312066 /nfs/dbraw/zinc/31/20/66/1368312066.db2.gz BZHRMBHGLOHKKW-YRXWBPOGSA-N 2 0 349.563 3.265 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001186412941 1387938115 /nfs/dbraw/zinc/93/81/15/1387938115.db2.gz ZULPBSSBIYGPFF-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782403 1368459417 /nfs/dbraw/zinc/45/94/17/1368459417.db2.gz HIADKJRWOKNIQD-ZVDOUQERSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1=CCCCC1)C2)[NH+](C)C ZINC001111875045 1368521341 /nfs/dbraw/zinc/52/13/41/1368521341.db2.gz OAWBGJLJKMDAOG-ZJOUEHCJSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCC1)C2 ZINC001111951098 1368571398 /nfs/dbraw/zinc/57/13/98/1368571398.db2.gz SKAQCGIKYDESOZ-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(CC)CC)C2 ZINC001111950865 1368571492 /nfs/dbraw/zinc/57/14/92/1368571492.db2.gz FXVAGADWQOOASU-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275136 1368581707 /nfs/dbraw/zinc/58/17/07/1368581707.db2.gz GRTROXGQJBGRHT-UHDDOPSISA-N 2 0 347.547 3.284 20 0 EGADRP CCc1ccc(C[NH+]2CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC2)cc1 ZINC001196342054 1368593492 /nfs/dbraw/zinc/59/34/92/1368593492.db2.gz VZHDIWCSMKLPKI-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001196349804 1368595307 /nfs/dbraw/zinc/59/53/07/1368595307.db2.gz NOOYUAUSJRQPNY-GOSISDBHSA-N 2 0 345.531 3.321 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196620033 1368651406 /nfs/dbraw/zinc/65/14/06/1368651406.db2.gz SKNQONIGRRJYLG-QUCCMNQESA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196963269 1368722076 /nfs/dbraw/zinc/72/20/76/1368722076.db2.gz PTQUIINUXUOGEI-IBGZPJMESA-N 2 0 345.531 3.241 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001197141328 1368753697 /nfs/dbraw/zinc/75/36/97/1368753697.db2.gz GWXNVOVEERPSRL-MOPGFXCFSA-N 2 0 339.568 3.323 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197142293 1368753814 /nfs/dbraw/zinc/75/38/14/1368753814.db2.gz WMNQQMMXSYHVCE-GNISGLHKSA-N 2 0 337.552 3.388 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197447770 1368817082 /nfs/dbraw/zinc/81/70/82/1368817082.db2.gz LJAPJBCZBSQEEF-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](CC(CC)CC)CC1 ZINC001197478108 1368823458 /nfs/dbraw/zinc/82/34/58/1368823458.db2.gz UTWVHZXQXFXHBO-UHFFFAOYSA-N 2 0 339.568 3.469 20 0 EGADRP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001112410939 1368831121 /nfs/dbraw/zinc/83/11/21/1368831121.db2.gz XYBHQPWADYYQAS-ZVDOUQERSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112432213 1368848256 /nfs/dbraw/zinc/84/82/56/1368848256.db2.gz YZXUPSXTAYZGIJ-XQMISQMHSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC)C1 ZINC001112547104 1368923040 /nfs/dbraw/zinc/92/30/40/1368923040.db2.gz VDORRDFYHREGKM-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197914022 1368923870 /nfs/dbraw/zinc/92/38/70/1368923870.db2.gz JFSMMZLHHAQJJW-UHFFFAOYSA-N 2 0 345.531 3.186 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557347 1368926952 /nfs/dbraw/zinc/92/69/52/1368926952.db2.gz BLLZWWITLIFGPM-AHHPOWTJSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584951 1368938569 /nfs/dbraw/zinc/93/85/69/1368938569.db2.gz QYTNENHJVVTXHU-FPOVZHCZSA-N 2 0 349.563 3.271 20 0 EGADRP CC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112855281 1369049088 /nfs/dbraw/zinc/04/90/88/1369049088.db2.gz QHPTXJFXKRNCLL-RTLBZRNLSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001186604325 1387984080 /nfs/dbraw/zinc/98/40/80/1387984080.db2.gz CWOJKGYOQYAMHP-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186605791 1387984767 /nfs/dbraw/zinc/98/47/67/1387984767.db2.gz UZEMXVCQASGLDF-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1 ZINC001200400699 1369361525 /nfs/dbraw/zinc/36/15/25/1369361525.db2.gz LQCCNZBJGFNXNP-NRFANRHFSA-N 2 0 340.467 3.031 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200506680 1369382805 /nfs/dbraw/zinc/38/28/05/1369382805.db2.gz GIFPEUCGDJOYPK-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC001113439473 1369429746 /nfs/dbraw/zinc/42/97/46/1369429746.db2.gz BGQHDEMWCKOPFK-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001200893538 1369444916 /nfs/dbraw/zinc/44/49/16/1369444916.db2.gz DUYDCQVHRGNIBB-LIXSYLKWSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200893578 1369445201 /nfs/dbraw/zinc/44/52/01/1369445201.db2.gz FJPLWCAZYACWRL-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CCCCCF)CC1 ZINC001113528556 1369478677 /nfs/dbraw/zinc/47/86/77/1369478677.db2.gz FWIWFVILXXJBTA-UHFFFAOYSA-N 2 0 343.531 3.173 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201229662 1369500108 /nfs/dbraw/zinc/50/01/08/1369500108.db2.gz FPTDGQMBIJOJJP-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201229711 1369500286 /nfs/dbraw/zinc/50/02/86/1369500286.db2.gz HFCORDHNRDAAAC-RTBURBONSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001201313545 1369516790 /nfs/dbraw/zinc/51/67/90/1369516790.db2.gz CXCUZXNYWAYMJX-OAHLLOKOSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001201321397 1369519025 /nfs/dbraw/zinc/51/90/25/1369519025.db2.gz JJOQVOAHUBGDSF-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001201321531 1369519182 /nfs/dbraw/zinc/51/91/82/1369519182.db2.gz OPXSVCKNRDZEIE-FMIVXFBMSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001113674822 1369559802 /nfs/dbraw/zinc/55/98/02/1369559802.db2.gz NRPXBMWHNRZWGL-SFHVURJKSA-N 2 0 345.531 3.188 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001113679222 1369562492 /nfs/dbraw/zinc/56/24/92/1369562492.db2.gz IRYOZWYKHKDTBT-PMACEKPBSA-N 2 0 349.563 3.223 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[NH+](CCC2CCCCC2)CC1 ZINC001113723306 1369586460 /nfs/dbraw/zinc/58/64/60/1369586460.db2.gz PUZXCBYDKLFUBH-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP Cc1c(Cl)cc(N)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667116 1369601711 /nfs/dbraw/zinc/60/17/11/1369601711.db2.gz AVCDQGVHHZOMNN-UHFFFAOYSA-N 2 0 331.851 3.121 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](CCCc2ccccc2)CC1 ZINC001201672683 1369602850 /nfs/dbraw/zinc/60/28/50/1369602850.db2.gz BZEBTYKDXDYWML-UHFFFAOYSA-N 2 0 331.548 3.359 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001201801066 1369626683 /nfs/dbraw/zinc/62/66/83/1369626683.db2.gz CSPXMBARSNOCDB-UHFFFAOYSA-N 2 0 345.531 3.031 20 0 EGADRP Cc1cc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C ZINC001201954881 1369652623 /nfs/dbraw/zinc/65/26/23/1369652623.db2.gz WPPWPRXRXYMBGU-QFIPXVFZSA-N 2 0 338.495 3.468 20 0 EGADRP COC(=O)CCC[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001202264434 1369724854 /nfs/dbraw/zinc/72/48/54/1369724854.db2.gz WERDTNUSCVRUNI-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCCC(F)(F)F)C2 ZINC001202397162 1369760030 /nfs/dbraw/zinc/76/00/30/1369760030.db2.gz YSDSGJFTPORIBC-HOTGVXAUSA-N 2 0 334.426 3.009 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2C)CC1)[NH+](CC)CC ZINC001202473323 1369783186 /nfs/dbraw/zinc/78/31/86/1369783186.db2.gz IOUHWZDPUOBBTK-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP c1csc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H]2CCOC2)CC3)c1 ZINC001202487864 1369786965 /nfs/dbraw/zinc/78/69/65/1369786965.db2.gz VPZLAWDOFHCHLK-KRWDZBQOSA-N 2 0 334.529 3.463 20 0 EGADRP C[NH+](C)CCCn1cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cn1 ZINC001186997364 1388036841 /nfs/dbraw/zinc/03/68/41/1388036841.db2.gz QKTVECORHOVEAD-UHFFFAOYSA-N 2 0 341.503 3.388 20 0 EGADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202872805 1369914082 /nfs/dbraw/zinc/91/40/82/1369914082.db2.gz QFHOCGCKMOQVOC-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202872599 1369914218 /nfs/dbraw/zinc/91/42/18/1369914218.db2.gz IUPDAKUOFZFRHO-RTBURBONSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202928465 1369928547 /nfs/dbraw/zinc/92/85/47/1369928547.db2.gz GXNOUFXAXAAUIR-ROUUACIJSA-N 2 0 349.563 3.314 20 0 EGADRP c1nc(-c2ccccc2)sc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001325742709 1388039210 /nfs/dbraw/zinc/03/92/10/1388039210.db2.gz GTZYNSUWSNHQMO-KZNAEPCWSA-N 2 0 343.496 3.057 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2)C1CCC1 ZINC001203035991 1369962814 /nfs/dbraw/zinc/96/28/14/1369962814.db2.gz IRHJVWYHRUTJKO-MSOLQXFVSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001114502037 1369977291 /nfs/dbraw/zinc/97/72/91/1369977291.db2.gz MUIWXXLESVTPPS-PIIMJCKOSA-N 2 0 349.563 3.122 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001203159670 1370004690 /nfs/dbraw/zinc/00/46/90/1370004690.db2.gz SPDGLBHNCIKSII-VOTSOKGWSA-N 2 0 349.563 3.434 20 0 EGADRP Cc1cncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001203180527 1370012882 /nfs/dbraw/zinc/01/28/82/1370012882.db2.gz MZEDHNYUDMCBDL-VQTJNVASSA-N 2 0 336.483 3.129 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203204453 1370023868 /nfs/dbraw/zinc/02/38/68/1370023868.db2.gz VGBYSHSDCPCIAE-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1)c1ccc(F)cc1 ZINC001203213885 1370026701 /nfs/dbraw/zinc/02/67/01/1370026701.db2.gz FPVDTJSZEFQUHP-LJQANCHMSA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230549 1370033051 /nfs/dbraw/zinc/03/30/51/1370033051.db2.gz NUEMSKAAJMBNOG-RBUKOAKNSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230644 1370033077 /nfs/dbraw/zinc/03/30/77/1370033077.db2.gz OVZKJVOEQQRFCJ-QZTJIDSGSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203251451 1370041912 /nfs/dbraw/zinc/04/19/12/1370041912.db2.gz VVYLEQLCBIAYFI-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034272 1388043361 /nfs/dbraw/zinc/04/33/61/1388043361.db2.gz BWDUIHZZSFTYST-UXHICEINSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203317173 1370079814 /nfs/dbraw/zinc/07/98/14/1370079814.db2.gz MMEGATONKMDYGY-IBQUMJASSA-N 2 0 347.547 3.092 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001203330673 1370084776 /nfs/dbraw/zinc/08/47/76/1370084776.db2.gz OPRAHUJKUXERIM-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203333525 1370086794 /nfs/dbraw/zinc/08/67/94/1370086794.db2.gz UMOXTLAAAKYXJS-YSKLNCTFSA-N 2 0 347.547 3.092 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C12CCC2 ZINC001203360621 1370098627 /nfs/dbraw/zinc/09/86/27/1370098627.db2.gz XYUUHSAFSMYDQU-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203507017 1370148274 /nfs/dbraw/zinc/14/82/74/1370148274.db2.gz MUOIOBCLKZOIJX-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203523279 1370154271 /nfs/dbraw/zinc/15/42/71/1370154271.db2.gz QAORIKUEWHCDHM-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203652547 1370202270 /nfs/dbraw/zinc/20/22/70/1370202270.db2.gz VMPOCZCWJQYDTD-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203742055 1370244796 /nfs/dbraw/zinc/24/47/96/1370244796.db2.gz LGIGUYYWJGSXCJ-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904374 1370308306 /nfs/dbraw/zinc/30/83/06/1370308306.db2.gz UFONVKDGUMGQMM-PRPIBZDOSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904305 1370308944 /nfs/dbraw/zinc/30/89/44/1370308944.db2.gz RCDJEIJTLRQGIB-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001203932276 1370318837 /nfs/dbraw/zinc/31/88/37/1370318837.db2.gz BBKUHDZEIJSBJN-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC[C@@]1(C)O ZINC001204263111 1370424945 /nfs/dbraw/zinc/42/49/45/1370424945.db2.gz GRMALGYSFQYHBO-FXAWDEMLSA-N 2 0 334.504 3.000 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001204263058 1370425529 /nfs/dbraw/zinc/42/55/29/1370425529.db2.gz FJSCARADHYLTHI-AEFFLSMTSA-N 2 0 338.442 3.494 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1 ZINC001204265000 1370426243 /nfs/dbraw/zinc/42/62/43/1370426243.db2.gz ZXMRMFDMJDFFNF-AZUAARDMSA-N 2 0 332.488 3.018 20 0 EGADRP CC(C)[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CCN(C)CC1 ZINC001204271337 1370427954 /nfs/dbraw/zinc/42/79/54/1370427954.db2.gz IZJWGWQGUXECKF-UHFFFAOYSA-N 2 0 347.547 3.322 20 0 EGADRP CC[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)Cc1ccccn1 ZINC001204270007 1370428481 /nfs/dbraw/zinc/42/84/81/1370428481.db2.gz MVTFKRALQHIBHO-UHFFFAOYSA-N 2 0 327.472 3.434 20 0 EGADRP Cc1ccc(C)c(N2CC[NH+](CC3CC4(C3)CC[NH2+]CC4)CC2)c1 ZINC001204621914 1370531931 /nfs/dbraw/zinc/53/19/31/1370531931.db2.gz RNYZPBZCAGFDBK-UHFFFAOYSA-N 2 0 327.516 3.205 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563454 1370562999 /nfs/dbraw/zinc/56/29/99/1370562999.db2.gz VWOFXUYVRNABGG-GOSISDBHSA-N 2 0 337.552 3.460 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1)C1CCC1 ZINC001115574899 1370578060 /nfs/dbraw/zinc/57/80/60/1370578060.db2.gz WSIFVNZNJGDGLY-UHFFFAOYSA-N 2 0 349.544 3.141 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115579517 1370582924 /nfs/dbraw/zinc/58/29/24/1370582924.db2.gz SFKLEWUXCTWUHO-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1)[NH+](C)C ZINC001115581961 1370583990 /nfs/dbraw/zinc/58/39/90/1370583990.db2.gz DNTZPRLZDYNBAR-IBGZPJMESA-N 2 0 345.531 3.182 20 0 EGADRP O=C1CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@H]2CCCC[C@@H]12 ZINC001204847961 1370589161 /nfs/dbraw/zinc/58/91/61/1370589161.db2.gz ISXDRROPPDLVTH-MOPGFXCFSA-N 2 0 337.467 3.078 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115592173 1370593421 /nfs/dbraw/zinc/59/34/21/1370593421.db2.gz XEQGCSFTSANJLM-OALUTQOASA-N 2 0 347.547 3.378 20 0 EGADRP CC[N@H+](C[C@@H]1[C@H](C)CNCC1(F)F)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870655 1370593695 /nfs/dbraw/zinc/59/36/95/1370593695.db2.gz ZGEKHLPDGXSMFD-IIDMSEBBSA-N 2 0 340.458 3.439 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCCCC1)[NH+](C)C ZINC001115592205 1370594119 /nfs/dbraw/zinc/59/41/19/1370594119.db2.gz YPGKVPWQSLNOFA-LJQANCHMSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001204897359 1370599986 /nfs/dbraw/zinc/59/99/86/1370599986.db2.gz YEGBFIBYFMOHSF-QGZVFWFLSA-N 2 0 345.506 3.112 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)CC)CCCCC1 ZINC001115601566 1370601117 /nfs/dbraw/zinc/60/11/17/1370601117.db2.gz HDZUADWDFQOQAY-UHFFFAOYSA-N 2 0 325.541 3.316 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c3ccc(OC)cc23)C1 ZINC001205018072 1370629787 /nfs/dbraw/zinc/62/97/87/1370629787.db2.gz RNEMAOJFGQCFLG-OAHLLOKOSA-N 2 0 328.456 3.288 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c3ccc(OC)cc23)C1 ZINC001205018071 1370630165 /nfs/dbraw/zinc/63/01/65/1370630165.db2.gz RNEMAOJFGQCFLG-HNNXBMFYSA-N 2 0 328.456 3.288 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688361 1370671656 /nfs/dbraw/zinc/67/16/56/1370671656.db2.gz ZBQFLPWGXXIHDA-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205208118 1370680058 /nfs/dbraw/zinc/68/00/58/1370680058.db2.gz AJCGJFGFINPANF-AWEZNQCLSA-N 2 0 336.785 3.035 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205208121 1370680236 /nfs/dbraw/zinc/68/02/36/1370680236.db2.gz AJCGJFGFINPANF-CQSZACIVSA-N 2 0 336.785 3.035 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCCC(C)(C)C)CCCCC1 ZINC001115708010 1370687523 /nfs/dbraw/zinc/68/75/23/1370687523.db2.gz JCISSFOGJGMQKF-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC1CCC(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCCC2)CC1 ZINC001115707945 1370687680 /nfs/dbraw/zinc/68/76/80/1370687680.db2.gz FWFBFFJEKDTCBT-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242397 1370692934 /nfs/dbraw/zinc/69/29/34/1370692934.db2.gz OGJZYSINQAXTHR-PXDRNWIDSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc([C@H]3CC[N@H+](C)C3)cc2)cn1 ZINC001205261932 1370698692 /nfs/dbraw/zinc/69/86/92/1370698692.db2.gz UASZIXKEDRQVON-FQEVSTJZSA-N 2 0 339.483 3.498 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCC[C@](C)([NH3+])CC3)n2)cc1 ZINC001205273692 1370703345 /nfs/dbraw/zinc/70/33/45/1370703345.db2.gz OSFORJSIFGLGFY-FQEVSTJZSA-N 2 0 325.456 3.461 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285659 1370706888 /nfs/dbraw/zinc/70/68/88/1370706888.db2.gz ZXYHXRXZWUDUTA-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@]1([NH3+])CCC[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001205296894 1370711373 /nfs/dbraw/zinc/71/13/73/1370711373.db2.gz WERJBOHXYNDSKV-HNNXBMFYSA-N 2 0 326.366 3.285 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115729952 1370711962 /nfs/dbraw/zinc/71/19/62/1370711962.db2.gz YWWCUJFUDOUQKX-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC1CCCC1 ZINC001205303444 1370713498 /nfs/dbraw/zinc/71/34/98/1370713498.db2.gz FSKXOBMBYQZFEG-DOTOQJQBSA-N 2 0 332.488 3.433 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001187291388 1388089826 /nfs/dbraw/zinc/08/98/26/1388089826.db2.gz QDERSBOXCQZQIM-LJQANCHMSA-N 2 0 345.531 3.016 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001205340103 1370725928 /nfs/dbraw/zinc/72/59/28/1370725928.db2.gz RRMIYXMBGCQDQD-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001205340297 1370726846 /nfs/dbraw/zinc/72/68/46/1370726846.db2.gz VTHFVOVBEJGOBR-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2ccc(N3CC[NH2+]CC3)cc2)n1 ZINC001205379055 1370737068 /nfs/dbraw/zinc/73/70/68/1370737068.db2.gz YBJHCWLAIYTTNW-UHFFFAOYSA-N 2 0 336.483 3.144 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115760278 1370744607 /nfs/dbraw/zinc/74/46/07/1370744607.db2.gz KPDLLDSAWIJDSB-KRWDZBQOSA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768909 1370753226 /nfs/dbraw/zinc/75/32/26/1370753226.db2.gz MMWDXPUKKKWASC-ZWKOTPCHSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768949 1370753527 /nfs/dbraw/zinc/75/35/27/1370753527.db2.gz OHMZWPQXYLBEME-RBUKOAKNSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001115773092 1370756696 /nfs/dbraw/zinc/75/66/96/1370756696.db2.gz KZOLDZJUDMSHAD-UHFFFAOYSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115787218 1370769998 /nfs/dbraw/zinc/76/99/98/1370769998.db2.gz PLQYXQOZEAEXTJ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205570099 1370795608 /nfs/dbraw/zinc/79/56/08/1370795608.db2.gz FUTSYPNOMSUYSK-OAHLLOKOSA-N 2 0 334.357 3.367 20 0 EGADRP Cc1cccc(Br)c1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592574 1370803873 /nfs/dbraw/zinc/80/38/73/1370803873.db2.gz WOLDOBFFUCDFPB-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599192 1370805245 /nfs/dbraw/zinc/80/52/45/1370805245.db2.gz NKJZCMSVIVEATD-LJQANCHMSA-N 2 0 327.472 3.243 20 0 EGADRP C[C@@H]1CC[N@H+](CCc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205601637 1370806210 /nfs/dbraw/zinc/80/62/10/1370806210.db2.gz FMFRUGFSEFNTDB-UKRRQHHQSA-N 2 0 325.294 3.298 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205602242 1370806927 /nfs/dbraw/zinc/80/69/27/1370806927.db2.gz HVVMSLPBXNLJCZ-QFBILLFUSA-N 2 0 332.488 3.103 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)no2)cc1 ZINC001205602625 1370807624 /nfs/dbraw/zinc/80/76/24/1370807624.db2.gz KPBYZUYXHJSIPO-GOEBONIOSA-N 2 0 329.444 3.157 20 0 EGADRP COc1ccc(-c2cc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)no2)cc1 ZINC001205602626 1370807929 /nfs/dbraw/zinc/80/79/29/1370807929.db2.gz KPBYZUYXHJSIPO-HOCLYGCPSA-N 2 0 329.444 3.157 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205617760 1370813151 /nfs/dbraw/zinc/81/31/51/1370813151.db2.gz NEKLTTRBMSPJLH-HUUCEWRRSA-N 2 0 343.471 3.151 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC)c1 ZINC001205639470 1370823090 /nfs/dbraw/zinc/82/30/90/1370823090.db2.gz ZGQHMVBNGQXOQE-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001205735582 1370855484 /nfs/dbraw/zinc/85/54/84/1370855484.db2.gz OIZGGGIQCPIXAF-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP COc1ccc(-c2ccncc2)cc1CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205796987 1370874630 /nfs/dbraw/zinc/87/46/30/1370874630.db2.gz WTGWLMUXQQVYFU-QGZVFWFLSA-N 2 0 347.409 3.173 20 0 EGADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001205902280 1370905005 /nfs/dbraw/zinc/90/50/05/1370905005.db2.gz JMSILPDTILNFLZ-DGCLKSJQSA-N 2 0 336.277 3.490 20 0 EGADRP Oc1cccc2c1CC[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001205924403 1370913283 /nfs/dbraw/zinc/91/32/83/1370913283.db2.gz SIMUOUSYPGMAAJ-UHFFFAOYSA-N 2 0 333.435 3.008 20 0 EGADRP C[C@@H]1C[N@H+](CCc2ccccc2Br)CCC[C@H]1C[NH3+] ZINC001205981901 1370929523 /nfs/dbraw/zinc/92/95/23/1370929523.db2.gz IVGQUNQKLFZKIM-HIFRSBDPSA-N 2 0 325.294 3.298 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205996018 1370933421 /nfs/dbraw/zinc/93/34/21/1370933421.db2.gz TVSLJSAUBKLGFN-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(Cl)ncc2Br)CCC[C@H]1C[NH3+] ZINC001206003615 1370935279 /nfs/dbraw/zinc/93/52/79/1370935279.db2.gz KGSZMVVMHSIFOO-MNOVXSKESA-N 2 0 346.700 3.304 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206027301 1370942007 /nfs/dbraw/zinc/94/20/07/1370942007.db2.gz VUWJIZUTDMVLED-LSDHHAIUSA-N 2 0 332.879 3.333 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(F)(F)F ZINC001206037366 1370945991 /nfs/dbraw/zinc/94/59/91/1370945991.db2.gz VEAJHXABDNJPMV-OCCSQVGLSA-N 2 0 346.393 3.401 20 0 EGADRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC[C@@H]1F ZINC001206174852 1370980822 /nfs/dbraw/zinc/98/08/22/1370980822.db2.gz PVRDINOWMSIFEV-LSDHHAIUSA-N 2 0 334.826 3.058 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001116825308 1370981928 /nfs/dbraw/zinc/98/19/28/1370981928.db2.gz GKPCVEOYHMCBNY-UXHICEINSA-N 2 0 343.515 3.275 20 0 EGADRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[C@@H]1F ZINC001206183113 1370985152 /nfs/dbraw/zinc/98/51/52/1370985152.db2.gz FTUJGSDBFONEOA-QWHCGFSZSA-N 2 0 338.320 3.185 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001206245363 1371002435 /nfs/dbraw/zinc/00/24/35/1371002435.db2.gz HANMAWZBZWGWGS-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001206274465 1371009571 /nfs/dbraw/zinc/00/95/71/1371009571.db2.gz IFMHSNZYAOXANQ-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001206300895 1371015054 /nfs/dbraw/zinc/01/50/54/1371015054.db2.gz GBDGNDMPYHELOM-BQYQJAHWSA-N 2 0 337.552 3.149 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206327073 1371023118 /nfs/dbraw/zinc/02/31/18/1371023118.db2.gz RYTVJALMALPAKU-SFHVURJKSA-N 2 0 338.879 3.468 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC1 ZINC001206334930 1371026061 /nfs/dbraw/zinc/02/60/61/1371026061.db2.gz AYIBJPCUSWIBHX-HNNXBMFYSA-N 2 0 342.274 3.167 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)CC1 ZINC001206487269 1371070346 /nfs/dbraw/zinc/07/03/46/1371070346.db2.gz BALHDGNNYFXNNJ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1OCC1CC1 ZINC001206556278 1371091951 /nfs/dbraw/zinc/09/19/51/1371091951.db2.gz QDXSQWAPSMOANV-FQEVSTJZSA-N 2 0 332.488 3.435 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001206599080 1371105268 /nfs/dbraw/zinc/10/52/68/1371105268.db2.gz ZZURZVFBDDMKJO-UHFFFAOYSA-N 2 0 342.314 3.457 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001206606460 1371107809 /nfs/dbraw/zinc/10/78/09/1371107809.db2.gz NPRSIASWXWAZDF-OAHLLOKOSA-N 2 0 325.294 3.443 20 0 EGADRP [NH3+]C[C@@H]1CCCCN(Cc2ccc(OCc3ccccc3)cn2)C1 ZINC001206646682 1371118320 /nfs/dbraw/zinc/11/83/20/1371118320.db2.gz DCFXQLFAMMTVGS-SFHVURJKSA-N 2 0 325.456 3.221 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ccc1OC(F)(F)F ZINC001206649763 1371119670 /nfs/dbraw/zinc/11/96/70/1371119670.db2.gz YQJJARUCFUVXBS-ZDUSSCGKSA-N 2 0 332.366 3.155 20 0 EGADRP c1oc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001118059810 1371126763 /nfs/dbraw/zinc/12/67/63/1371126763.db2.gz SVXFEFZVMLGBIE-QRVBRYPASA-N 2 0 325.456 3.394 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001206754691 1371154919 /nfs/dbraw/zinc/15/49/19/1371154919.db2.gz WBHZQOQOYADPIK-WAYWQWQTSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001206768743 1371158435 /nfs/dbraw/zinc/15/84/35/1371158435.db2.gz LWJXNMQNOJQNMQ-RYUDHWBXSA-N 2 0 336.277 3.490 20 0 EGADRP C[C@H]([NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001206882866 1371205364 /nfs/dbraw/zinc/20/53/64/1371205364.db2.gz GPBQTKSKEZCLCW-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001206889350 1371208500 /nfs/dbraw/zinc/20/85/00/1371208500.db2.gz NOUVCCKVJYFSPE-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206947624 1371239565 /nfs/dbraw/zinc/23/95/65/1371239565.db2.gz CJYPITPYZZLLBM-LXORQPIJSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206952284 1371243086 /nfs/dbraw/zinc/24/30/86/1371243086.db2.gz IAKHIQNKIDNIFB-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001206952408 1371244015 /nfs/dbraw/zinc/24/40/15/1371244015.db2.gz NUCKRDSBDZAZSQ-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001206954404 1371244912 /nfs/dbraw/zinc/24/49/12/1371244912.db2.gz ICBOXDLKSLWCRQ-FQEVSTJZSA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[NH2+]CC(C)C)CC2)o1 ZINC001206965795 1371250640 /nfs/dbraw/zinc/25/06/40/1371250640.db2.gz QARGUIYXPOOFQM-UHFFFAOYSA-N 2 0 349.519 3.219 20 0 EGADRP O=c1[nH]cccc1C[NH+]1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001207007005 1371264798 /nfs/dbraw/zinc/26/47/98/1371264798.db2.gz MBCGPZSPBBALSK-UHFFFAOYSA-N 2 0 346.390 3.294 20 0 EGADRP CCN(CC)[C@@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290771 1371352779 /nfs/dbraw/zinc/35/27/79/1371352779.db2.gz CDRVDPQNLJAZEF-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP COC(=O)[C@@H]1CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207295628 1371354443 /nfs/dbraw/zinc/35/44/43/1371354443.db2.gz WXXOWGDPBLUYIK-HXUWFJFHSA-N 2 0 344.499 3.174 20 0 EGADRP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001207400701 1371385264 /nfs/dbraw/zinc/38/52/64/1371385264.db2.gz AZFMNPOXBXWSQH-LJQANCHMSA-N 2 0 330.472 3.342 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486897 1371410683 /nfs/dbraw/zinc/41/06/83/1371410683.db2.gz OSYMWJUHCYFJHZ-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP COC(=O)c1cccc([C@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)c1 ZINC001207488881 1371411585 /nfs/dbraw/zinc/41/15/85/1371411585.db2.gz RJUWZYSMUOGQJK-LJQANCHMSA-N 2 0 330.472 3.342 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCCN(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001207487917 1371411974 /nfs/dbraw/zinc/41/19/74/1371411974.db2.gz YRNQKUNXSRUCAW-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP CN(C[C@H]1CCC[N@@H+]1CCC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001207489255 1371412080 /nfs/dbraw/zinc/41/20/80/1371412080.db2.gz XAPSNDBWHTTYRG-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001119987920 1371443024 /nfs/dbraw/zinc/44/30/24/1371443024.db2.gz CNMALJMTWYPXEU-YSIASYRMSA-N 2 0 327.516 3.449 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682216 1371474117 /nfs/dbraw/zinc/47/41/17/1371474117.db2.gz GEJVPPVBLJGXBO-CQQBRXBZSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120129439 1371491925 /nfs/dbraw/zinc/49/19/25/1371491925.db2.gz HSEGPZZXGDKUPO-QWNKOJSDSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130066 1371492294 /nfs/dbraw/zinc/49/22/94/1371492294.db2.gz UECUIBDTMIERNO-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP Clc1ccc(-c2noc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001326278439 1388140231 /nfs/dbraw/zinc/14/02/31/1388140231.db2.gz VSESIYUNRZCHBB-UHFFFAOYSA-N 2 0 346.862 3.356 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)N(C)C)CCCCC1 ZINC001120213273 1371506303 /nfs/dbraw/zinc/50/63/03/1371506303.db2.gz HTJJLLXAKDWLIS-SFHVURJKSA-N 2 0 331.504 3.108 20 0 EGADRP Cc1ccc(-c2cnn(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c2)cc1 ZINC001120255244 1371516289 /nfs/dbraw/zinc/51/62/89/1371516289.db2.gz BVEVVCQPDBYEDW-ZJOUEHCJSA-N 2 0 338.499 3.478 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@H]21 ZINC001207852029 1371519916 /nfs/dbraw/zinc/51/99/16/1371519916.db2.gz BZQQBTISJPJUKJ-UKBAYJJMSA-N 2 0 334.529 3.459 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001207918663 1371538996 /nfs/dbraw/zinc/53/89/96/1371538996.db2.gz WJICPCKZITZBGZ-GOSISDBHSA-N 2 0 343.559 3.094 20 0 EGADRP CC(C)c1ccc(C[C@H](C)C[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC001207930803 1371541059 /nfs/dbraw/zinc/54/10/59/1371541059.db2.gz AXQISDMXXGEMJI-IBGZPJMESA-N 2 0 331.548 3.168 20 0 EGADRP CC(C)c1ccc(C[C@@H](C)C[N@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001207936229 1371543199 /nfs/dbraw/zinc/54/31/99/1371543199.db2.gz CXNXVEUCLIBOPP-LJQANCHMSA-N 2 0 331.548 3.168 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120391782 1371558246 /nfs/dbraw/zinc/55/82/46/1371558246.db2.gz GYDBSWPVELSTPF-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001207988749 1371560843 /nfs/dbraw/zinc/56/08/43/1371560843.db2.gz UKEVBCWRTCEVET-CRAIPNDOSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208014846 1371569348 /nfs/dbraw/zinc/56/93/48/1371569348.db2.gz UHASKLWJFCJUDC-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120422311 1371569722 /nfs/dbraw/zinc/56/97/22/1371569722.db2.gz LHWFSCZYUUSBMZ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP c1cnn(CCC[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001208086416 1371591932 /nfs/dbraw/zinc/59/19/32/1371591932.db2.gz MHOUKJSTTRPQBY-LEWJYISDSA-N 2 0 338.499 3.117 20 0 EGADRP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208113285 1371599198 /nfs/dbraw/zinc/59/91/98/1371599198.db2.gz GWRUZUSYPQJYHN-IYBDPMFKSA-N 2 0 339.524 3.048 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC(O)(Cc3ccccc3)CC2)CCCC1 ZINC001208182392 1371624637 /nfs/dbraw/zinc/62/46/37/1371624637.db2.gz PBNHYUTZLUNRFY-UHFFFAOYSA-N 2 0 330.516 3.178 20 0 EGADRP C[NH+](C)CC1(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCC1 ZINC001208185409 1371626775 /nfs/dbraw/zinc/62/67/75/1371626775.db2.gz CZACVMXJLLOYBM-LEWJYISDSA-N 2 0 341.543 3.315 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CCCC1 ZINC001208187959 1371628058 /nfs/dbraw/zinc/62/80/58/1371628058.db2.gz QUYJJBGMILPWBP-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208331405 1371720189 /nfs/dbraw/zinc/72/01/89/1371720189.db2.gz RPRJCDVSVDFGMW-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330953 1371720200 /nfs/dbraw/zinc/72/02/00/1371720200.db2.gz IDZKILKMQOKXPJ-PEPAHJGKSA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331058 1371720475 /nfs/dbraw/zinc/72/04/75/1371720475.db2.gz KDEQJHYOPFFFFM-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208396091 1371753185 /nfs/dbraw/zinc/75/31/85/1371753185.db2.gz NOUFMVZOBZRUNT-FBYXPACISA-N 2 0 349.563 3.291 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208423087 1371762717 /nfs/dbraw/zinc/76/27/17/1371762717.db2.gz DWBYVSOAOVBZIZ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208564243 1371819342 /nfs/dbraw/zinc/81/93/42/1371819342.db2.gz OVTSERAGEVCKCV-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001208604342 1371837453 /nfs/dbraw/zinc/83/74/53/1371837453.db2.gz MHHLUWZSDARRBK-LJQANCHMSA-N 2 0 330.472 3.342 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842865 /nfs/dbraw/zinc/84/28/65/1371842865.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 2 0 341.543 3.172 20 0 EGADRP C[C@H](c1ccccc1)N(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001208617972 1371843287 /nfs/dbraw/zinc/84/32/87/1371843287.db2.gz QTADEFLHNACPJU-WOIUINJBSA-N 2 0 341.543 3.486 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC001208618088 1371843830 /nfs/dbraw/zinc/84/38/30/1371843830.db2.gz RQVOGDQXGXKEEP-NQIIRXRSSA-N 2 0 327.516 3.023 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001208735991 1371879358 /nfs/dbraw/zinc/87/93/58/1371879358.db2.gz VCVKDBMTHNPBEP-HKBOAZHASA-N 2 0 344.547 3.494 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121260633 1371913007 /nfs/dbraw/zinc/91/30/07/1371913007.db2.gz IYJNEJKUVQEXMN-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1ccccc1)C2)[NH+](C)C ZINC001121288272 1371922859 /nfs/dbraw/zinc/92/28/59/1371922859.db2.gz BGBBTBHUGNSWMD-XUCHTYEISA-N 2 0 343.515 3.105 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294983 1371926356 /nfs/dbraw/zinc/92/63/56/1371926356.db2.gz KHGYOIYMDABKHR-ODLLKVOJSA-N 2 0 347.547 3.234 20 0 EGADRP O[C@@]1(CF)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208930401 1371949514 /nfs/dbraw/zinc/94/95/14/1371949514.db2.gz AXYBNWGPMXCUDB-PMACEKPBSA-N 2 0 334.479 3.085 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@]1(C)O ZINC001208931280 1371951102 /nfs/dbraw/zinc/95/11/02/1371951102.db2.gz IUXJIMBDMIUKON-HLAWJBBLSA-N 2 0 330.516 3.382 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001208934694 1371952402 /nfs/dbraw/zinc/95/24/02/1371952402.db2.gz FXKPVAJBAKKVKU-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP COC(=O)CC[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940692 1371953107 /nfs/dbraw/zinc/95/31/07/1371953107.db2.gz VMTJFFXVTZABOW-UXHICEINSA-N 2 0 344.499 3.174 20 0 EGADRP COC(=O)C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939132 1371954745 /nfs/dbraw/zinc/95/47/45/1371954745.db2.gz FWLXHNAYFOYVJI-VQTJNVASSA-N 2 0 344.499 3.174 20 0 EGADRP c1cnn(C2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208940186 1371954812 /nfs/dbraw/zinc/95/48/12/1371954812.db2.gz QBDVUYMWJGDERD-HXUWFJFHSA-N 2 0 338.499 3.432 20 0 EGADRP Cc1nnc([C@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001208955802 1371962022 /nfs/dbraw/zinc/96/20/22/1371962022.db2.gz FRIUCPDKLDMDHW-MOPGFXCFSA-N 2 0 340.471 3.080 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001209006838 1371973141 /nfs/dbraw/zinc/97/31/41/1371973141.db2.gz JTYDYCCYHQLVPY-IYARVYRRSA-N 2 0 336.520 3.306 20 0 EGADRP CCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001121462457 1371983145 /nfs/dbraw/zinc/98/31/45/1371983145.db2.gz HXOVRGPLNIKUSW-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142207 1372012096 /nfs/dbraw/zinc/01/20/96/1372012096.db2.gz IXKWNUAFDZBTGB-IOIJZZRGSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223708 1372042472 /nfs/dbraw/zinc/04/24/72/1372042472.db2.gz UEGLRIKXAKLCMZ-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCCC2OCCO2)C3)cc1 ZINC001209308379 1372065017 /nfs/dbraw/zinc/06/50/17/1372065017.db2.gz AQISSRGFWXRFBH-NRFANRHFSA-N 2 0 344.499 3.128 20 0 EGADRP CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC001209358335 1372076902 /nfs/dbraw/zinc/07/69/02/1372076902.db2.gz XNHULQHUVWRKCV-UHFFFAOYSA-N 2 0 341.540 3.488 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C[C@@H]1C[C@@H]1C)CC2 ZINC001209417315 1372100440 /nfs/dbraw/zinc/10/04/40/1372100440.db2.gz VVMBCWSRHJDVPG-ULQDDVLXSA-N 2 0 349.544 3.102 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3CCC[NH+]2CCCCC2)o1 ZINC001209450786 1372108925 /nfs/dbraw/zinc/10/89/25/1372108925.db2.gz CEPZEOUDICAGNZ-UXHICEINSA-N 2 0 331.504 3.113 20 0 EGADRP CN(CCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001209455043 1372110172 /nfs/dbraw/zinc/11/01/72/1372110172.db2.gz WUQGEFOJESZMFA-NRFANRHFSA-N 2 0 329.532 3.459 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001121947378 1372130341 /nfs/dbraw/zinc/13/03/41/1372130341.db2.gz AYIMIKYTMUJFLH-PLNGDYQASA-N 2 0 347.547 3.092 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001121947380 1372130536 /nfs/dbraw/zinc/13/05/36/1372130536.db2.gz AYIMIKYTMUJFLH-SNAWJCMRSA-N 2 0 347.547 3.092 20 0 EGADRP COc1cc(C[N@H+](C2CCCC2)C2CCN(C)CC2)cc(F)c1O ZINC001209537357 1372131398 /nfs/dbraw/zinc/13/13/98/1372131398.db2.gz JFZGFWOEAGNVOC-UHFFFAOYSA-N 2 0 336.451 3.379 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565542 1372138056 /nfs/dbraw/zinc/13/80/56/1372138056.db2.gz AQZDUPVIFJZUJI-QRVBRYPASA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC(C)C)C2 ZINC001122023864 1372155106 /nfs/dbraw/zinc/15/51/06/1372155106.db2.gz SWEXQECGELAMCH-FUSSNKQKSA-N 2 0 337.552 3.027 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001209691918 1372171473 /nfs/dbraw/zinc/17/14/73/1372171473.db2.gz ZTOJVWMDANDGKA-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122101356 1372174486 /nfs/dbraw/zinc/17/44/86/1372174486.db2.gz LRPVPAQYZGMYLT-BQYQJAHWSA-N 2 0 349.563 3.482 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001122242357 1372209432 /nfs/dbraw/zinc/20/94/32/1372209432.db2.gz BDBRCSOTDFLVBD-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001122242808 1372209946 /nfs/dbraw/zinc/20/99/46/1372209946.db2.gz QJRONLGYPZRMCD-GEUNIFFNSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209939091 1372237080 /nfs/dbraw/zinc/23/70/80/1372237080.db2.gz BQJSKGRIIDRGQF-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001210181059 1372289927 /nfs/dbraw/zinc/28/99/27/1372289927.db2.gz AYOUGIQJRPFJMJ-QZTJIDSGSA-N 2 0 325.541 3.125 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001210494822 1372366161 /nfs/dbraw/zinc/36/61/61/1372366161.db2.gz XRBLCMMCOVKFLF-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001210586731 1372385247 /nfs/dbraw/zinc/38/52/47/1372385247.db2.gz ZVXBNRNLVISGIJ-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001210635063 1372397004 /nfs/dbraw/zinc/39/70/04/1372397004.db2.gz WRAGTTFTGQFVNB-ROUUACIJSA-N 2 0 343.531 3.217 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210691427 1372408923 /nfs/dbraw/zinc/40/89/23/1372408923.db2.gz YUBCGOIPXBBSDM-JTGQJZMRSA-N 2 0 344.503 3.088 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210772871 1372424454 /nfs/dbraw/zinc/42/44/54/1372424454.db2.gz CBDPDEMALZKPBT-OEMHODTASA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001210789054 1372426782 /nfs/dbraw/zinc/42/67/82/1372426782.db2.gz MHNAGBLSFCYGQD-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[NH2+]Cc1ccc(Nc2c(F)cccc2N2CC[NH+](C)CC2)cc1 ZINC001211135012 1372488971 /nfs/dbraw/zinc/48/89/71/1372488971.db2.gz GBAFFSXEVJAJDD-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211147830 1372490254 /nfs/dbraw/zinc/49/02/54/1372490254.db2.gz VSLCHIJSKKKWRK-IBGZPJMESA-N 2 0 337.552 3.413 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211250114 1372511345 /nfs/dbraw/zinc/51/13/45/1372511345.db2.gz RQOYJLJNBOIBQG-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211258127 1372514545 /nfs/dbraw/zinc/51/45/45/1372514545.db2.gz YUELVVVTEAIRFF-KPDZFXRVSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211283585 1372520572 /nfs/dbraw/zinc/52/05/72/1372520572.db2.gz GYKXEWOJXJPPBM-LJQANCHMSA-N 2 0 345.531 3.231 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001211286473 1372521543 /nfs/dbraw/zinc/52/15/43/1372521543.db2.gz UWDHTMMTJHDZNV-MOPGFXCFSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310070 1372526378 /nfs/dbraw/zinc/52/63/78/1372526378.db2.gz NNDUZXPSDINEIP-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccccc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371085 1372542107 /nfs/dbraw/zinc/54/21/07/1372542107.db2.gz KJYAVBNLQAQFSX-YLJYHZDGSA-N 2 0 345.531 3.087 20 0 EGADRP COc1c(C)ccc(F)c1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001214532095 1373075267 /nfs/dbraw/zinc/07/52/67/1373075267.db2.gz AXBUEHXHYCQGJZ-UHFFFAOYSA-N 2 0 330.407 3.033 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214634228 1373092692 /nfs/dbraw/zinc/09/26/92/1373092692.db2.gz GDACOGYNAVZZPH-YZBXUTEPSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636313 1373093682 /nfs/dbraw/zinc/09/36/82/1373093682.db2.gz HBSYCWRLYJERAJ-WSTZPKSXSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CCC(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001127356445 1373118142 /nfs/dbraw/zinc/11/81/42/1373118142.db2.gz CLEBGBCJAGUCRG-CTWPCTMYSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(NCC[NH2+]CCC1=CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356460 1373118225 /nfs/dbraw/zinc/11/82/25/1373118225.db2.gz DAMSGMXCQNGGJE-LJQANCHMSA-N 2 0 347.547 3.237 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001188106377 1388243805 /nfs/dbraw/zinc/24/38/05/1388243805.db2.gz IQIFGUOXUXPAOY-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001215027082 1373159170 /nfs/dbraw/zinc/15/91/70/1373159170.db2.gz NRPVRJDQAFJDID-DNVCBOLYSA-N 2 0 342.487 3.273 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001215234491 1373189592 /nfs/dbraw/zinc/18/95/92/1373189592.db2.gz XJGOERNAQUAAQC-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188140228 1388248917 /nfs/dbraw/zinc/24/89/17/1388248917.db2.gz ZTLXECANAGRIBD-GLCUZYPYSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC001216222534 1373284736 /nfs/dbraw/zinc/28/47/36/1373284736.db2.gz IZHFYJMQSXVMTI-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001216494103 1373311875 /nfs/dbraw/zinc/31/18/75/1373311875.db2.gz GWKVWBXGRDOFSM-QWFCFKBJSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001216852178 1373351696 /nfs/dbraw/zinc/35/16/96/1373351696.db2.gz RGYVCWCELOZLEB-QWFCFKBJSA-N 2 0 345.531 3.141 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001129410890 1373381759 /nfs/dbraw/zinc/38/17/59/1373381759.db2.gz QYZJHHYPTRJBIN-LJQANCHMSA-N 2 0 345.531 3.081 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001129429502 1373382970 /nfs/dbraw/zinc/38/29/70/1373382970.db2.gz HGKAUMSBBPCYAZ-XLIONFOSSA-N 2 0 343.515 3.169 20 0 EGADRP O=C(NCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430236 1373383110 /nfs/dbraw/zinc/38/31/10/1373383110.db2.gz PQTPGKDDHCKXMR-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129428928 1373383479 /nfs/dbraw/zinc/38/34/79/1373383479.db2.gz BJXAZRKPZAEAIO-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)C[C@@](C)([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217734441 1373497526 /nfs/dbraw/zinc/49/75/26/1373497526.db2.gz XPKVECJCGZBUOU-VQIMIIECSA-N 2 0 328.460 3.279 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@](C)(CO[C@@H]2CCCC[NH2+]C2)O1 ZINC001217773185 1373499879 /nfs/dbraw/zinc/49/98/79/1373499879.db2.gz NNIFOYHNWLUICZ-TZIWHRDSSA-N 2 0 346.515 3.215 20 0 EGADRP CC1(C)[NH2+][C@H](CO[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC001217847159 1373506720 /nfs/dbraw/zinc/50/67/20/1373506720.db2.gz DSJQITVKHGEAID-MSOLQXFVSA-N 2 0 332.488 3.028 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001130427356 1373534170 /nfs/dbraw/zinc/53/41/70/1373534170.db2.gz MVCDVTCKDMFWDD-INIZCTEOSA-N 2 0 347.547 3.481 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC001130809857 1373593980 /nfs/dbraw/zinc/59/39/80/1373593980.db2.gz JPYYNPHOKMPKTF-KRWDZBQOSA-N 2 0 349.906 3.125 20 0 EGADRP CC[C@@]1(c2cccc(OCCO[C@H]3CC[NH2+]C3)c2)CCCC[N@H+](C)C1 ZINC001218388285 1373604485 /nfs/dbraw/zinc/60/44/85/1373604485.db2.gz QGUXAMYBBMADPC-LEWJYISDSA-N 2 0 346.515 3.207 20 0 EGADRP CN(C)c1cc[nH+]cc1NC(=O)C[C@@H]([NH3+])Cc1ccc2ccccc2c1 ZINC001218563074 1373633550 /nfs/dbraw/zinc/63/35/50/1373633550.db2.gz JSJAHGNEOCHCRD-SFHVURJKSA-N 2 0 348.450 3.199 20 0 EGADRP CCCCC[C@H]([NH2+]C)C(=O)n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001218707825 1373645517 /nfs/dbraw/zinc/64/55/17/1373645517.db2.gz ABKWSPMTWPZIDT-KRWDZBQOSA-N 2 0 344.434 3.164 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccccc1-c1ccc(F)c(F)c1 ZINC001218848627 1373660446 /nfs/dbraw/zinc/66/04/46/1373660446.db2.gz AMRKQQUTGJVFAY-SFHVURJKSA-N 2 0 347.409 3.287 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001218996578 1373676805 /nfs/dbraw/zinc/67/68/05/1373676805.db2.gz KHCFAZICNGRPFY-SFHLNBCPSA-N 2 0 349.478 3.238 20 0 EGADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cccc(-c2cccs2)c1 ZINC001219273145 1373697737 /nfs/dbraw/zinc/69/77/37/1373697737.db2.gz ADVALBPQCDYVOA-INIZCTEOSA-N 2 0 331.485 3.413 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001221374191 1373771032 /nfs/dbraw/zinc/77/10/32/1373771032.db2.gz ACVJMICJNJGJBK-MSOLQXFVSA-N 2 0 331.504 3.141 20 0 EGADRP CC/C=C/CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876631 1373800330 /nfs/dbraw/zinc/80/03/30/1373800330.db2.gz MFGMTJZMONKSOD-CXBOONTCSA-N 2 0 349.563 3.388 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+]CCCC1CCCC1)C1CCCCC1 ZINC001131815495 1373819492 /nfs/dbraw/zinc/81/94/92/1373819492.db2.gz GASOOAWSUKMCHD-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(CN3CCC[C@@]34CCC[NH2+]C4)cc21 ZINC001222259777 1373822428 /nfs/dbraw/zinc/82/24/28/1373822428.db2.gz YZSQDHLGIAHRAR-OAQYLSRUSA-N 2 0 325.500 3.406 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CCC[C@]4(CCCC[NH2+]4)C3)C2)cc1 ZINC001222385756 1373831641 /nfs/dbraw/zinc/83/16/41/1373831641.db2.gz VZIWRBJHZRXZPO-LEWJYISDSA-N 2 0 327.516 3.117 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC2)c1 ZINC001326877097 1388337036 /nfs/dbraw/zinc/33/70/36/1388337036.db2.gz GJVIFNMFSOGHLA-LJQANCHMSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC[NH+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001224402362 1375066136 /nfs/dbraw/zinc/06/61/36/1375066136.db2.gz GSKCRJKACZTQCH-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001224402791 1375066550 /nfs/dbraw/zinc/06/65/50/1375066550.db2.gz QLIMXBXRYDWREW-FXAWDEMLSA-N 2 0 345.531 3.162 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739210 1375072338 /nfs/dbraw/zinc/07/23/38/1375072338.db2.gz KJVAEQGYWOVBTP-HMECNJMJSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132041379 1375113028 /nfs/dbraw/zinc/11/30/28/1375113028.db2.gz CXNRIKTXCUSYHU-MSOLQXFVSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]cn2)C[N@@H+]1CCCC(C)(C)C ZINC001132090336 1375140332 /nfs/dbraw/zinc/14/03/32/1375140332.db2.gz GNCVXDJGRAOBCF-WBVHZDCISA-N 2 0 334.508 3.138 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132105342 1375150301 /nfs/dbraw/zinc/15/03/01/1375150301.db2.gz FPMFXRSXEQQPBW-ZGKJDNBHSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC(C)(C)C ZINC001132105032 1375150466 /nfs/dbraw/zinc/15/04/66/1375150466.db2.gz AIOGSGXEAVBFFR-IAGOWNOFSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCC2)C1 ZINC001132153153 1375172935 /nfs/dbraw/zinc/17/29/35/1375172935.db2.gz NTASNLJIDYLYSC-FUHWJXTLSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCC2)C1 ZINC001132152784 1375172994 /nfs/dbraw/zinc/17/29/94/1375172994.db2.gz IVHBIDXGVXQKCV-AEFFLSMTSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132154359 1375174049 /nfs/dbraw/zinc/17/40/49/1375174049.db2.gz ZCOGIBSVBNYOMA-PKOBYXMFSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132207694 1375210269 /nfs/dbraw/zinc/21/02/69/1375210269.db2.gz VWIPGJODHLEYQG-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC001226323616 1375240215 /nfs/dbraw/zinc/24/02/15/1375240215.db2.gz QBWXYCYNNFLFRL-RCCFBDPRSA-N 2 0 348.535 3.460 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C)CC[N@@H+]1C ZINC001226334320 1375242182 /nfs/dbraw/zinc/24/21/82/1375242182.db2.gz SINKNCDAHXQGQR-BRSBDYLESA-N 2 0 337.552 3.170 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCCC(C)(C)C ZINC001132264809 1375254409 /nfs/dbraw/zinc/25/44/09/1375254409.db2.gz BUBRRNBFPYSWMF-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226555168 1375281097 /nfs/dbraw/zinc/28/10/97/1375281097.db2.gz XLPNEELVRYMLIU-PUSMVSPTSA-N 2 0 341.515 3.040 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1)C1CC1 ZINC001226801190 1375338733 /nfs/dbraw/zinc/33/87/33/1375338733.db2.gz UWZMMCVFJLDPML-AQNXPRMDSA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380846 1375341076 /nfs/dbraw/zinc/34/10/76/1375341076.db2.gz QFKYXHOSOBZHFL-KJYWSYJISA-N 2 0 349.563 3.434 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC)C1 ZINC001132420274 1375369576 /nfs/dbraw/zinc/36/95/76/1375369576.db2.gz PVUPNNUCYJFRIC-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccc(F)cc1 ZINC001132433235 1375378474 /nfs/dbraw/zinc/37/84/74/1375378474.db2.gz LHTXEPURBNGYKC-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132437145 1375382787 /nfs/dbraw/zinc/38/27/87/1375382787.db2.gz QROSXRGVJUZGOO-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001227150630 1375397774 /nfs/dbraw/zinc/39/77/74/1375397774.db2.gz WSZQCLRNOXJHQF-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CCCCC1 ZINC001132523878 1375439544 /nfs/dbraw/zinc/43/95/44/1375439544.db2.gz BJMNYJORIKCOBW-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCCC1CCC1 ZINC001132525755 1375441326 /nfs/dbraw/zinc/44/13/26/1375441326.db2.gz VBBOMWBROLJFHI-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227792261 1375475038 /nfs/dbraw/zinc/47/50/38/1375475038.db2.gz MNMYLZBBAPPGMD-LIXSYLKWSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC[NH+](CC3CCC(C)(C)CC3)CC2)CCC1 ZINC001227807513 1375477849 /nfs/dbraw/zinc/47/78/49/1375477849.db2.gz RVYUWHRRTAOHDN-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001228266077 1375537700 /nfs/dbraw/zinc/53/77/00/1375537700.db2.gz LCYZAKWHXXDHFF-MRXNPFEDSA-N 2 0 342.487 3.211 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950911 1375667384 /nfs/dbraw/zinc/66/73/84/1375667384.db2.gz RTIFAEYPPUKIRM-NYQZOWANSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229074327 1375758003 /nfs/dbraw/zinc/75/80/03/1375758003.db2.gz YJBDYFWMLBEAMN-FXAWDEMLSA-N 2 0 345.531 3.223 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC001229215159 1375788922 /nfs/dbraw/zinc/78/89/22/1375788922.db2.gz WAYFDTRMCZBDOZ-DFQSSKMNSA-N 2 0 345.531 3.415 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001229544988 1375853040 /nfs/dbraw/zinc/85/30/40/1375853040.db2.gz OYOBPQRZMPZRIQ-UNQUKWGNSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H](c1cccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c1)[NH+](C)C ZINC001229627814 1375868362 /nfs/dbraw/zinc/86/83/62/1375868362.db2.gz RHWHDWHZODVPJN-BHIYHBOVSA-N 2 0 332.488 3.331 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133261646 1375876662 /nfs/dbraw/zinc/87/66/62/1375876662.db2.gz BVOLERVPAVUFRZ-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133333620 1375929398 /nfs/dbraw/zinc/92/93/98/1375929398.db2.gz JVWDTWRSGJJHTH-VQTJNVASSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133341831 1375932603 /nfs/dbraw/zinc/93/26/03/1375932603.db2.gz KRPVXXYHKNDCNE-MJGOQNOKSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133359585 1375943579 /nfs/dbraw/zinc/94/35/79/1375943579.db2.gz IDAQMYFFUSBENN-VQTJNVASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC001230107519 1375943663 /nfs/dbraw/zinc/94/36/63/1375943663.db2.gz JAQZILUZVHKKKU-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001230107714 1375945021 /nfs/dbraw/zinc/94/50/21/1375945021.db2.gz UZRYJEOJFZMBST-QGZVFWFLSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2CC(C)C2)CC1)[NH+]1CCCCC1 ZINC001230378751 1376011276 /nfs/dbraw/zinc/01/12/76/1376011276.db2.gz UPOCEPMEHPGFML-AFMYVXGZSA-N 2 0 349.563 3.124 20 0 EGADRP Nc1[nH]c2ccc(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)cc2[nH+]1 ZINC001230515293 1376048543 /nfs/dbraw/zinc/04/85/43/1376048543.db2.gz ADKSGJQMNADJJP-WRWLIDTKSA-N 2 0 348.450 3.435 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)[NH+](CC)CC ZINC001133689768 1376157814 /nfs/dbraw/zinc/15/78/14/1376157814.db2.gz BWEWCMHQBSSIOY-OXQOHEQNSA-N 2 0 345.531 3.063 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]CCC1CCCCCC1)[NH+](CC)CC ZINC001133690952 1376158016 /nfs/dbraw/zinc/15/80/16/1376158016.db2.gz XOIUBBVOEHVUFI-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1cccc2ccccc21 ZINC001133834481 1376224453 /nfs/dbraw/zinc/22/44/53/1376224453.db2.gz YZIZELWXHDRYOP-SJORKVTESA-N 2 0 339.483 3.091 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccccc1-c1ccc(F)cc1 ZINC001231822335 1376321727 /nfs/dbraw/zinc/32/17/27/1376321727.db2.gz BZVVYVUDHKWNNF-UHFFFAOYSA-N 2 0 343.490 3.418 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(OC(F)(F)C(F)F)cc1)CC2 ZINC001231826606 1376324622 /nfs/dbraw/zinc/32/46/22/1376324622.db2.gz KIJFPTWOLUAALL-UHFFFAOYSA-N 2 0 346.368 3.451 20 0 EGADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232013099 1376381418 /nfs/dbraw/zinc/38/14/18/1376381418.db2.gz XXHIRBJMHZVOBN-INIZCTEOSA-N 2 0 344.459 3.394 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3c[nH]c4ccc(O)cc34)CC2)CC1 ZINC001232864134 1376524904 /nfs/dbraw/zinc/52/49/04/1376524904.db2.gz CJWFUWZYKQDDSY-UHFFFAOYSA-N 2 0 327.472 3.427 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001134582925 1376606934 /nfs/dbraw/zinc/60/69/34/1376606934.db2.gz BPJOMIYIRPVZLH-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001134583819 1376608809 /nfs/dbraw/zinc/60/88/09/1376608809.db2.gz OTQFSWXSSWFSJP-CVEARBPZSA-N 2 0 349.494 3.013 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134607181 1376622432 /nfs/dbraw/zinc/62/24/32/1376622432.db2.gz FGOSXGYUCAULCH-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728634 1376680936 /nfs/dbraw/zinc/68/09/36/1376680936.db2.gz AUWPOVPZAPCHSW-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001134756624 1376702805 /nfs/dbraw/zinc/70/28/05/1376702805.db2.gz GZYWHRUFPATGDA-SFHVURJKSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001134766206 1376709329 /nfs/dbraw/zinc/70/93/29/1376709329.db2.gz DXFIYDBOYPGNOY-OALUTQOASA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001134765986 1376709641 /nfs/dbraw/zinc/70/96/41/1376709641.db2.gz BWYFMRYHZKGVTM-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134998720 1376834506 /nfs/dbraw/zinc/83/45/06/1376834506.db2.gz LLIYGCIJHAIMPD-HOTGVXAUSA-N 2 0 342.487 3.401 20 0 EGADRP Fc1cc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235339330 1376867923 /nfs/dbraw/zinc/86/79/23/1376867923.db2.gz FSSRPVAFFSFTCI-GOSISDBHSA-N 2 0 340.442 3.446 20 0 EGADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)OCCCO2 ZINC001235429191 1376869861 /nfs/dbraw/zinc/86/98/61/1376869861.db2.gz QCIOZZRSQMMYDK-ZWKOTPCHSA-N 2 0 330.472 3.060 20 0 EGADRP COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431117 1376871251 /nfs/dbraw/zinc/87/12/51/1376871251.db2.gz UYMCIABGDCCWKK-IRXDYDNUSA-N 2 0 332.488 3.224 20 0 EGADRP Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2)n1 ZINC001235430640 1376872612 /nfs/dbraw/zinc/87/26/12/1376872612.db2.gz KDOOIYJQIIAISD-WOJBJXKFSA-N 2 0 338.499 3.299 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCCC1)[NH+](C)C ZINC001235589486 1376876338 /nfs/dbraw/zinc/87/63/38/1376876338.db2.gz SDVMVEYGLAKCSQ-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101318 1376898524 /nfs/dbraw/zinc/89/85/24/1376898524.db2.gz KTNZJVPEUVUOOO-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP C[N@H+](CCC1C[NH2+]C1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001235922864 1376919019 /nfs/dbraw/zinc/91/90/19/1376919019.db2.gz IGNHJLUBWVDTJX-UHFFFAOYSA-N 2 0 335.495 3.002 20 0 EGADRP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@H](N4CC([NH3+])C4)C3)cc2)c1 ZINC001236076504 1376931885 /nfs/dbraw/zinc/93/18/85/1376931885.db2.gz AXXFORTVMNAQSM-QFIPXVFZSA-N 2 0 335.495 3.269 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182934 1376940304 /nfs/dbraw/zinc/94/03/04/1376940304.db2.gz AVPXNEDUJCICCL-GGAORHGYSA-N 2 0 347.506 3.244 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180167 1376953101 /nfs/dbraw/zinc/95/31/01/1376953101.db2.gz DXAAQLRRGRIUAY-DLBZAZTESA-N 2 0 325.541 3.170 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001135181038 1376953790 /nfs/dbraw/zinc/95/37/90/1376953790.db2.gz LHSRZMFVSXVQOK-ZWKOTPCHSA-N 2 0 345.531 3.242 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135182127 1376955122 /nfs/dbraw/zinc/95/51/22/1376955122.db2.gz YCAMUACKQJFYBI-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297801 1377026265 /nfs/dbraw/zinc/02/62/65/1377026265.db2.gz HQTCAGHJSIBNOA-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299525 1377027014 /nfs/dbraw/zinc/02/70/14/1377027014.db2.gz XLEMAFVCKGWQGN-XLBHYRNJSA-N 2 0 335.492 3.184 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135317080 1377034270 /nfs/dbraw/zinc/03/42/70/1377034270.db2.gz WSVKFXGMZIIXMZ-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@H]1C[C@H]([N@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246292186 1377051108 /nfs/dbraw/zinc/05/11/08/1377051108.db2.gz UUEARIBVXOPXGG-XNUXLAJESA-N 3 0 327.516 3.255 20 0 EGADRP COc1cccc(CC2(C[NH2+][C@H](C)CCSC)CC[NH2+]CC2)c1 ZINC001246381123 1377051531 /nfs/dbraw/zinc/05/15/31/1377051531.db2.gz OPARTUZFLOUCHG-MRXNPFEDSA-N 2 0 336.545 3.339 20 0 EGADRP CC(C)(C)[C@H]1C[C@@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381958 1377051697 /nfs/dbraw/zinc/05/16/97/1377051697.db2.gz VKKIICDUKHEOQF-PKOBYXMFSA-N 2 0 347.522 3.247 20 0 EGADRP COC(=O)c1ccc(C2C[NH+](C3CCC4(CC[NH2+]CC4)CC3)C2)cc1 ZINC001246939115 1377055692 /nfs/dbraw/zinc/05/56/92/1377055692.db2.gz BHGHHBXUTLQJBX-UHFFFAOYSA-N 2 0 342.483 3.185 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001135375446 1377061162 /nfs/dbraw/zinc/06/11/62/1377061162.db2.gz LYBAJQCLDCIQAH-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP C[N@H+](Cc1ccccc1F)C1CCN([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254528934 1377106614 /nfs/dbraw/zinc/10/66/14/1377106614.db2.gz ARWJVGFSNGLEPH-LJQANCHMSA-N 2 0 333.495 3.206 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)CC1 ZINC001254530001 1377107251 /nfs/dbraw/zinc/10/72/51/1377107251.db2.gz SUQIOFDAXZIBBH-OAHLLOKOSA-N 2 0 348.874 3.286 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)c1ccccc1 ZINC001135474298 1377110124 /nfs/dbraw/zinc/11/01/24/1377110124.db2.gz MONYUHUSZVXEHG-RBUKOAKNSA-N 2 0 333.520 3.210 20 0 EGADRP CC(C)CC[C@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001256366269 1377111770 /nfs/dbraw/zinc/11/17/70/1377111770.db2.gz WCAYNQIFUYSPEV-KRWDZBQOSA-N 2 0 348.535 3.114 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135482055 1377114332 /nfs/dbraw/zinc/11/43/32/1377114332.db2.gz ZZAOROZXSGNNBP-GJZGRUSLSA-N 2 0 339.549 3.099 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001265447138 1377153077 /nfs/dbraw/zinc/15/30/77/1377153077.db2.gz YWDLCBRKILVJEX-RBUKOAKNSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614598 1377163155 /nfs/dbraw/zinc/16/31/55/1377163155.db2.gz XEFZBZWRSYTGMW-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135705650 1377190292 /nfs/dbraw/zinc/19/02/92/1377190292.db2.gz GZPMEYQILTYKJH-SJORKVTESA-N 2 0 345.531 3.279 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135743880 1377199670 /nfs/dbraw/zinc/19/96/70/1377199670.db2.gz RAKLIQWRDCBVIA-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135746432 1377200268 /nfs/dbraw/zinc/20/02/68/1377200268.db2.gz HNPQYVFESKDWLP-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135858239 1377236832 /nfs/dbraw/zinc/23/68/32/1377236832.db2.gz VOXVLOMNWZUPML-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135861488 1377238660 /nfs/dbraw/zinc/23/86/60/1377238660.db2.gz RSZMZUPPVHOFHW-UONOGXRCSA-N 2 0 339.549 3.080 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135861954 1377238777 /nfs/dbraw/zinc/23/87/77/1377238777.db2.gz ZNICTYSUGMNPRD-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135861638 1377238793 /nfs/dbraw/zinc/23/87/93/1377238793.db2.gz UYBKMFYTWFIXHM-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901172 1377255391 /nfs/dbraw/zinc/25/53/91/1377255391.db2.gz FHAUUONEYJBRNN-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001266470003 1377316218 /nfs/dbraw/zinc/31/62/18/1377316218.db2.gz XQZKTWDPZNIFMV-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327308810 1388494097 /nfs/dbraw/zinc/49/40/97/1388494097.db2.gz QRGOERCGVVEHAY-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c[nH]c2cccc(F)c12 ZINC001136985693 1377450457 /nfs/dbraw/zinc/45/04/57/1377450457.db2.gz RELXZKURKWJFHL-UHFFFAOYSA-N 2 0 334.483 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001269291528 1377548004 /nfs/dbraw/zinc/54/80/04/1377548004.db2.gz GPUGVTWRLYSEOE-IRXDYDNUSA-N 2 0 349.494 3.151 20 0 EGADRP CCCC[NH+]1CCC(N(C)Cc2ccc(C(=O)OC)cc2OC)CC1 ZINC001137456243 1377550383 /nfs/dbraw/zinc/55/03/83/1377550383.db2.gz YCCPDBRSDBAKCO-UHFFFAOYSA-N 2 0 348.487 3.178 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3cccc(-c4cncnc4)c3)CC2)cc[nH+]1 ZINC001137773112 1377614450 /nfs/dbraw/zinc/61/44/50/1377614450.db2.gz SXCYMLMWTBJXBS-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cccc1C)C2 ZINC001137849019 1377629985 /nfs/dbraw/zinc/62/99/85/1377629985.db2.gz APDXIGBSZKALLO-UNMCSNQZSA-N 2 0 342.527 3.484 20 0 EGADRP CCOCC[NH+](CCOCC)Cc1ccc(-n2ccnc2C)cc1 ZINC001138548490 1377739797 /nfs/dbraw/zinc/73/97/97/1377739797.db2.gz FRGQJHFKOARFIQ-UHFFFAOYSA-N 2 0 331.460 3.056 20 0 EGADRP COc1ccc2c(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)c[nH]c2c1 ZINC001138591413 1377750125 /nfs/dbraw/zinc/75/01/25/1377750125.db2.gz SKMIRVRAWRNPKB-UHFFFAOYSA-N 2 0 336.439 3.202 20 0 EGADRP CCC(=O)Oc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001138967644 1377811077 /nfs/dbraw/zinc/81/10/77/1377811077.db2.gz SSBFDYCJWONORH-UHFFFAOYSA-N 2 0 330.472 3.310 20 0 EGADRP CCN1CCC([N@H+](C)Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139081028 1377826098 /nfs/dbraw/zinc/82/60/98/1377826098.db2.gz SBBXENZBFYEADX-UHFFFAOYSA-N 2 0 326.444 3.185 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C2)CC1 ZINC001139081920 1377826220 /nfs/dbraw/zinc/82/62/20/1377826220.db2.gz XTCDFEJLFPRVIU-UHFFFAOYSA-N 2 0 338.455 3.187 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc4nsnc4c3)CC2)CC1 ZINC001139212058 1377851741 /nfs/dbraw/zinc/85/17/41/1377851741.db2.gz ASLQMOCTQBQFIB-UHFFFAOYSA-N 2 0 330.501 3.245 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC001139414151 1377880591 /nfs/dbraw/zinc/88/05/91/1377880591.db2.gz JWRCPSPEVKXLLD-UHFFFAOYSA-N 2 0 343.540 3.484 20 0 EGADRP O=c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)c[nH]1 ZINC001139467383 1377888600 /nfs/dbraw/zinc/88/86/00/1377888600.db2.gz IHXRDZIHCSMZRV-UHFFFAOYSA-N 2 0 343.496 3.337 20 0 EGADRP Cn1ncc2ccc(C[N@H+](C)Cc3ccc(-n4ccnc4)cc3)cc21 ZINC001139911774 1377976499 /nfs/dbraw/zinc/97/64/99/1377976499.db2.gz ZGLNVBLNUHZGPZ-UHFFFAOYSA-N 2 0 331.423 3.391 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965871 1377984716 /nfs/dbraw/zinc/98/47/16/1377984716.db2.gz CXRPMIWQRVXHDG-QGZVFWFLSA-N 2 0 348.288 3.458 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(O)cc1F ZINC001140128502 1378014516 /nfs/dbraw/zinc/01/45/16/1378014516.db2.gz QUIWITAEFBNMAA-UHFFFAOYSA-N 2 0 339.499 3.017 20 0 EGADRP CN(Cc1sc(N2CCCC2)nc1Cl)CC1CC[NH+](C)CC1 ZINC001140364782 1378053090 /nfs/dbraw/zinc/05/30/90/1378053090.db2.gz KZBJNSNJLCISAJ-UHFFFAOYSA-N 2 0 342.940 3.170 20 0 EGADRP CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc2c[nH+]cn21 ZINC001274111431 1378116779 /nfs/dbraw/zinc/11/67/79/1378116779.db2.gz ZCMCPZIVGKNAGJ-UZLBHIALSA-N 2 0 340.471 3.090 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc3ccsc3c1)C2 ZINC001275533138 1378141379 /nfs/dbraw/zinc/14/13/79/1378141379.db2.gz YGNKCRLQSUDMTC-UHFFFAOYSA-N 2 0 343.540 3.361 20 0 EGADRP c1cc(C[N@H+]2CCC[C@@]3(CCCN(Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866989 1378160144 /nfs/dbraw/zinc/16/01/44/1378160144.db2.gz WHBWKFIYOLTTBO-GOSISDBHSA-N 2 0 330.501 3.349 20 0 EGADRP C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)CC1CC[NH+](C)CC1 ZINC001140885268 1378168539 /nfs/dbraw/zinc/16/85/39/1378168539.db2.gz ZUGMUHVGBFIMST-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001140970955 1378196522 /nfs/dbraw/zinc/19/65/22/1378196522.db2.gz ASEHYZDXTUJGGS-MOPGFXCFSA-N 2 0 327.516 3.451 20 0 EGADRP Cc1cccc2c1CC[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)C2 ZINC001140968238 1378196534 /nfs/dbraw/zinc/19/65/34/1378196534.db2.gz ICYHRBCJHSCCAM-UHFFFAOYSA-N 2 0 335.495 3.305 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc3cccc(O)c3n1)CC2 ZINC001141024129 1378210509 /nfs/dbraw/zinc/21/05/09/1378210509.db2.gz GFNXBQKQBIBAOR-UHFFFAOYSA-N 2 0 325.456 3.248 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)NC(C)(C)C)C2)CC1 ZINC001278021936 1378254996 /nfs/dbraw/zinc/25/49/96/1378254996.db2.gz OBSNMJCHKSVSPH-UWJYYQICSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[C@H](C)C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278148276 1378259953 /nfs/dbraw/zinc/25/99/53/1378259953.db2.gz MULMQMHTNUCSRT-DSKINZAPSA-N 2 0 349.563 3.125 20 0 EGADRP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC001278147054 1378260163 /nfs/dbraw/zinc/26/01/63/1378260163.db2.gz UABHIHSWIDAFSN-ALOPSCKCSA-N 2 0 347.469 3.400 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001278526822 1378280596 /nfs/dbraw/zinc/28/05/96/1378280596.db2.gz NCESLVMRKAVMKM-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CN(C)c1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141266439 1378287577 /nfs/dbraw/zinc/28/75/77/1378287577.db2.gz SVMFLCYPRINNRV-NHCUHLMSSA-N 2 0 335.495 3.316 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001280367968 1378344436 /nfs/dbraw/zinc/34/44/36/1378344436.db2.gz XTXKXKZFQMUUQX-FHWLQOOXSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccnc5[nH]ccc54)C[C@@H]3C2)cc1 ZINC001142873350 1378500347 /nfs/dbraw/zinc/50/03/47/1378500347.db2.gz NFLQCBAMWOQBHK-PMACEKPBSA-N 2 0 346.478 3.435 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3scc4c3OCCO4)CC2)CC1 ZINC001143186859 1378555191 /nfs/dbraw/zinc/55/51/91/1378555191.db2.gz CLOXZXYSBGFULC-UHFFFAOYSA-N 2 0 336.501 3.073 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001146337518 1378819736 /nfs/dbraw/zinc/81/97/36/1378819736.db2.gz CWOAQRRFPBSOHK-ZWKOTPCHSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)c1 ZINC001146591023 1378873779 /nfs/dbraw/zinc/87/37/79/1378873779.db2.gz FOPSWNWNQCOLHA-MOPGFXCFSA-N 2 0 347.547 3.325 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146712155 1378905225 /nfs/dbraw/zinc/90/52/25/1378905225.db2.gz AIMGWZOZBPUZIK-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001147357989 1379008651 /nfs/dbraw/zinc/00/86/51/1379008651.db2.gz BTDBQCLCNJOHEM-AZUAARDMSA-N 2 0 345.531 3.416 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001147359378 1379009110 /nfs/dbraw/zinc/00/91/10/1379009110.db2.gz PZLYTKNHCFSBFB-IEBWSBKVSA-N 2 0 331.504 3.108 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001147359963 1379009161 /nfs/dbraw/zinc/00/91/61/1379009161.db2.gz XZWXARYMUAMTAX-AZUAARDMSA-N 2 0 345.531 3.416 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001147359950 1379009174 /nfs/dbraw/zinc/00/91/74/1379009174.db2.gz XSFKILVOOWDPKO-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CCc1ccc(C)cc1 ZINC001147448945 1379022940 /nfs/dbraw/zinc/02/29/40/1379022940.db2.gz AKMBPBIRZPWNKU-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CCCC1CCCC1)c1ccccc1 ZINC001147456981 1379025159 /nfs/dbraw/zinc/02/51/59/1379025159.db2.gz BFSVTSDVRSKHGY-HXUWFJFHSA-N 2 0 345.531 3.356 20 0 EGADRP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327695972 1388585266 /nfs/dbraw/zinc/58/52/66/1388585266.db2.gz MRHHLCVKOQJIFS-DNVCBOLYSA-N 2 0 331.504 3.005 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717394 1379065146 /nfs/dbraw/zinc/06/51/46/1379065146.db2.gz WLRJFCRDFIMLAE-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)C2 ZINC001147813393 1379084866 /nfs/dbraw/zinc/08/48/66/1379084866.db2.gz ZXFNYSBWYPYIAJ-KRWDZBQOSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001148360558 1379156519 /nfs/dbraw/zinc/15/65/19/1379156519.db2.gz XFBGBMUBORRHLI-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605722 1379224370 /nfs/dbraw/zinc/22/43/70/1379224370.db2.gz SRQXVHXBMHFKBH-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC001148656227 1379234990 /nfs/dbraw/zinc/23/49/90/1379234990.db2.gz XOUOQIUDZHDFTL-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1=CCCCC1)C2 ZINC001148657573 1379235603 /nfs/dbraw/zinc/23/56/03/1379235603.db2.gz YDOHNZUPVNYHJU-UHFFFAOYSA-N 2 0 347.547 3.143 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)C2 ZINC001148656906 1379235619 /nfs/dbraw/zinc/23/56/19/1379235619.db2.gz IOSNETYSARFUQL-SFHVURJKSA-N 2 0 343.515 3.014 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777177 1379266219 /nfs/dbraw/zinc/26/62/19/1379266219.db2.gz IXAGUELEEUAHAZ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001149041436 1379314375 /nfs/dbraw/zinc/31/43/75/1379314375.db2.gz DIJIOZGVAUXBEK-RLLQIKCJSA-N 2 0 345.531 3.258 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001284033807 1379384105 /nfs/dbraw/zinc/38/41/05/1379384105.db2.gz PGHVJEQHZGSXKP-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)cc2C)[C@@H]1C ZINC001284155239 1379552001 /nfs/dbraw/zinc/55/20/01/1379552001.db2.gz UEGOZRVAENYJMJ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001754354528 1440591278 /nfs/dbraw/zinc/59/12/78/1440591278.db2.gz SWQIZFPQBIQJGM-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001152383611 1379923446 /nfs/dbraw/zinc/92/34/46/1379923446.db2.gz IHVYDPZFYXAFCM-MSOLQXFVSA-N 2 0 345.531 3.284 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001152485268 1379941079 /nfs/dbraw/zinc/94/10/79/1379941079.db2.gz YWCGSNQVGMDTHH-UYAOXDASSA-N 2 0 345.531 3.272 20 0 EGADRP CCC/C=C\CC[NH2+]CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001153266321 1380046568 /nfs/dbraw/zinc/04/65/68/1380046568.db2.gz AWFCENLJKUUYGV-HJWRWDBZSA-N 2 0 335.492 3.187 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313473 1380053758 /nfs/dbraw/zinc/05/37/58/1380053758.db2.gz SFBMJYHXELFGKO-QUCCMNQESA-N 2 0 345.531 3.194 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388215 1380067866 /nfs/dbraw/zinc/06/78/66/1380067866.db2.gz WHYGDEJFUIQDMP-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1F ZINC001153728680 1380119509 /nfs/dbraw/zinc/11/95/09/1380119509.db2.gz RFKIMASBCUUZTP-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854538 1380144316 /nfs/dbraw/zinc/14/43/16/1380144316.db2.gz HXBRNEAONGRXFB-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCC1CCCC1)[NH+](C)C ZINC001154001234 1380174903 /nfs/dbraw/zinc/17/49/03/1380174903.db2.gz PXUAJPNJLFLEDW-SJLPKXTDSA-N 2 0 325.541 3.124 20 0 EGADRP CCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001154034229 1380188418 /nfs/dbraw/zinc/18/84/18/1380188418.db2.gz XDPPXOQBZGHHIS-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1 ZINC001154069575 1380198675 /nfs/dbraw/zinc/19/86/75/1380198675.db2.gz GZPVZKFISMWICU-QGZVFWFLSA-N 2 0 333.520 3.052 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178710 1380221824 /nfs/dbraw/zinc/22/18/24/1380221824.db2.gz MMEAUEMKQMANTB-MWWKQMNYSA-N 2 0 328.460 3.131 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C)C1 ZINC001154784807 1380350511 /nfs/dbraw/zinc/35/05/11/1380350511.db2.gz LZPFKBOHPGCNQR-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844723 1380363855 /nfs/dbraw/zinc/36/38/55/1380363855.db2.gz WNRKSFZSTZNPEG-SCTDSRPQSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904194 1380374667 /nfs/dbraw/zinc/37/46/67/1380374667.db2.gz OSPDXHMHEJQFTN-LJQANCHMSA-N 2 0 347.547 3.280 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155262759 1380430029 /nfs/dbraw/zinc/43/00/29/1380430029.db2.gz GWNFZMTXRJTQRD-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCc1cccc(C)c1)[NH+](C)C ZINC001155289392 1380434020 /nfs/dbraw/zinc/43/40/20/1380434020.db2.gz QBTBVQDORRJVIC-QUCCMNQESA-N 2 0 347.547 3.094 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001155289693 1380434062 /nfs/dbraw/zinc/43/40/62/1380434062.db2.gz VIVFOMVFQHSXIM-QUCCMNQESA-N 2 0 347.547 3.279 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155612542 1380473904 /nfs/dbraw/zinc/47/39/04/1380473904.db2.gz XYMHKJNABQNHSY-QZTJIDSGSA-N 2 0 343.531 3.217 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155630671 1380476167 /nfs/dbraw/zinc/47/61/67/1380476167.db2.gz DMEQHBULDIIZNG-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001328079672 1388663427 /nfs/dbraw/zinc/66/34/27/1388663427.db2.gz DYPMPRLQROUCHD-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](Cc1ccc(Cl)s1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156201158 1380541376 /nfs/dbraw/zinc/54/13/76/1380541376.db2.gz XFUXLMFVVSMZIQ-CYBMUJFWSA-N 2 0 345.940 3.070 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC ZINC001156318858 1380557156 /nfs/dbraw/zinc/55/71/56/1380557156.db2.gz JSYAFNZSSBSWJM-MSOLQXFVSA-N 2 0 345.547 3.463 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374548 1380566736 /nfs/dbraw/zinc/56/67/36/1380566736.db2.gz RZNNWOVGBDZGHP-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156466812 1380579650 /nfs/dbraw/zinc/57/96/50/1380579650.db2.gz WCXNWHOLQHTTCP-GOSISDBHSA-N 2 0 333.520 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1Cl ZINC001156525697 1380588035 /nfs/dbraw/zinc/58/80/35/1380588035.db2.gz VBFXSBOZRRKUNO-OAHLLOKOSA-N 2 0 339.911 3.008 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C2CC2)cc1 ZINC001156530018 1380588605 /nfs/dbraw/zinc/58/86/05/1380588605.db2.gz HIFARQYAYWIMCO-QGZVFWFLSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C)CC1(C)C ZINC001328099558 1388671642 /nfs/dbraw/zinc/67/16/42/1388671642.db2.gz WMXNZBDGINDAIU-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP C[N@H+](Cc1ccc(N(CC(C)(C)C)C2CC[NH2+]CC2)nc1)C1CC1 ZINC001157891939 1381061752 /nfs/dbraw/zinc/06/17/52/1381061752.db2.gz ZHNHXSXSKCNFDI-UHFFFAOYSA-N 2 0 330.520 3.280 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001157893396 1381063051 /nfs/dbraw/zinc/06/30/51/1381063051.db2.gz FFDFAHRDBWFKQJ-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001157957582 1381081282 /nfs/dbraw/zinc/08/12/82/1381081282.db2.gz FLMFSCBXBQSVDQ-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001158038605 1381109587 /nfs/dbraw/zinc/10/95/87/1381109587.db2.gz QAFKPHOVKVNEQU-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001158074288 1381121431 /nfs/dbraw/zinc/12/14/31/1381121431.db2.gz YHCDLTXDLABFPR-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP COc1ccc(CN(c2cc(OC)cc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158156037 1381144572 /nfs/dbraw/zinc/14/45/72/1381144572.db2.gz JRXMWBKUZKLDQP-QAQDUYKDSA-N 2 0 341.455 3.375 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185246 1381151235 /nfs/dbraw/zinc/15/12/35/1381151235.db2.gz FIOGFFUHQFTPPQ-SJLPKXTDSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186776 1381151785 /nfs/dbraw/zinc/15/17/85/1381151785.db2.gz XLNMZBBRPFXNNI-GOSISDBHSA-N 2 0 342.487 3.307 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385398 1381227635 /nfs/dbraw/zinc/22/76/35/1381227635.db2.gz GRFUWTPKJFHMGF-HWYAZIHESA-N 2 0 349.563 3.386 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158411275 1381237183 /nfs/dbraw/zinc/23/71/83/1381237183.db2.gz DHXIURXJBYBJLP-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555653 1381296825 /nfs/dbraw/zinc/29/68/25/1381296825.db2.gz WJCWZJREDAYIEP-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP [NH3+]C1CCN(c2cccc(NCCc3coc4ccccc34)[nH+]2)CC1 ZINC001158662156 1381341199 /nfs/dbraw/zinc/34/11/99/1381341199.db2.gz PXLCLKYRAGNMIU-UHFFFAOYSA-N 2 0 336.439 3.410 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751593 1381382654 /nfs/dbraw/zinc/38/26/54/1381382654.db2.gz ZLEGMTANUFHENZ-NHQAVIFJSA-N 2 0 349.563 3.388 20 0 EGADRP c1ccc(Oc2c[nH+]ccc2Nc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001159115269 1381605103 /nfs/dbraw/zinc/60/51/03/1381605103.db2.gz HZKNGIBZRRECMY-UHFFFAOYSA-N 2 0 346.434 3.449 20 0 EGADRP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001159164883 1381693767 /nfs/dbraw/zinc/69/37/67/1381693767.db2.gz PMZYDEPQZPFUFX-UHFFFAOYSA-N 2 0 339.487 3.077 20 0 EGADRP CCOC(=O)c1c(Nc2cccc(C[NH2+]C)c2)sc2c1CC[NH2+]C2 ZINC001159208053 1381730895 /nfs/dbraw/zinc/73/08/95/1381730895.db2.gz AOVVNXMJYXDVBU-UHFFFAOYSA-N 2 0 345.468 3.034 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21)[NH+](C)C ZINC001328412867 1388739869 /nfs/dbraw/zinc/73/98/69/1388739869.db2.gz KNEUWRRBPFGLAV-JVPBZIDWSA-N 2 0 349.494 3.028 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2nccc(C3CC[NH2+]CC3)n2)CC1(C)C ZINC001159397379 1381785230 /nfs/dbraw/zinc/78/52/30/1381785230.db2.gz MRISNGVGCGQYJF-UHFFFAOYSA-N 2 0 331.508 3.007 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC2=CCCCC2)CC1 ZINC001159628361 1381852064 /nfs/dbraw/zinc/85/20/64/1381852064.db2.gz GVSOAIPMTYDTOQ-HXUWFJFHSA-N 2 0 345.531 3.110 20 0 EGADRP C[NH+](C)CCOc1cccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1 ZINC001159923149 1381938295 /nfs/dbraw/zinc/93/82/95/1381938295.db2.gz PITXEJYLLLNEAS-FQEVSTJZSA-N 2 0 341.455 3.111 20 0 EGADRP [NH3+]C1CN(c2cccc(NC3=CC[N@H+](Cc4ccccc4)CC3)c2)C1 ZINC001159989138 1381961084 /nfs/dbraw/zinc/96/10/84/1381961084.db2.gz MDADWBGVMIHRBK-UHFFFAOYSA-N 2 0 334.467 3.036 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175159 1382025404 /nfs/dbraw/zinc/02/54/04/1382025404.db2.gz CGIWBYXKWJXQNI-CWHLKURSSA-N 2 0 347.547 3.211 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001160268049 1382056623 /nfs/dbraw/zinc/05/66/23/1382056623.db2.gz USQLVUWBNFFHAF-IBGZPJMESA-N 2 0 345.531 3.082 20 0 EGADRP CC1(C)C[NH2+]Cc2cc(Nc3ccc(N4CC[NH2+]CC4)cc3)ccc21 ZINC001160286931 1382062681 /nfs/dbraw/zinc/06/26/81/1382062681.db2.gz TWIUAUMPXHQHQJ-UHFFFAOYSA-N 2 0 336.483 3.221 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353050 1382080680 /nfs/dbraw/zinc/08/06/80/1382080680.db2.gz OKSKHHLVPLYPSU-ICSRJNTNSA-N 2 0 349.563 3.149 20 0 EGADRP c1cc2c(c(Nc3ccc(C[NH+]4CCCC4)cc3)c1)[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394652 1382092560 /nfs/dbraw/zinc/09/25/60/1382092560.db2.gz LPQOFZHHISQYKK-YLJYHZDGSA-N 2 0 335.451 3.474 20 0 EGADRP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001328492221 1388762612 /nfs/dbraw/zinc/76/26/12/1388762612.db2.gz MGFFZEXEBBGKLN-MRXNPFEDSA-N 2 0 329.488 3.042 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001160473959 1382117716 /nfs/dbraw/zinc/11/77/16/1382117716.db2.gz UUHMVPXVHJKDJF-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518990 1382128998 /nfs/dbraw/zinc/12/89/98/1382128998.db2.gz UUGCDRQKTWKLPK-UHFFFAOYSA-N 2 0 337.552 3.291 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001160559363 1382141793 /nfs/dbraw/zinc/14/17/93/1382141793.db2.gz GVYCLZYGRLZVCO-UHFFFAOYSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ncccc1C[NH+]1CCCC1 ZINC001160668077 1382165378 /nfs/dbraw/zinc/16/53/78/1382165378.db2.gz RWBFKLYISAQSHY-SFHVURJKSA-N 2 0 338.499 3.279 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)C12CCC[NH+](CCC1)C2 ZINC001160834961 1382212911 /nfs/dbraw/zinc/21/29/11/1382212911.db2.gz SHXKFVXJIOXDFN-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160868264 1382219991 /nfs/dbraw/zinc/21/99/91/1382219991.db2.gz LEXCJIOOTOXPBT-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](CC)c1ccc(Cl)cc1)[NH+](C)C ZINC001160889106 1382225933 /nfs/dbraw/zinc/22/59/33/1382225933.db2.gz CUARHSQAWVDZMQ-DLBZAZTESA-N 2 0 339.911 3.227 20 0 EGADRP [NH3+]CCc1cn(-c2nc(Cl)nc3ccc(F)cc32)c2cc[nH+]cc12 ZINC001160944563 1382246265 /nfs/dbraw/zinc/24/62/65/1382246265.db2.gz RHEOISBRJGZVDT-UHFFFAOYSA-N 2 0 341.777 3.262 20 0 EGADRP [NH3+]CCc1cn(-c2nccc(-c3ccc(F)cc3)n2)c2cc[nH+]cc12 ZINC001160946031 1382246752 /nfs/dbraw/zinc/24/67/52/1382246752.db2.gz SHXSLNKHYLQHKZ-UHFFFAOYSA-N 2 0 333.370 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001160986056 1382261212 /nfs/dbraw/zinc/26/12/12/1382261212.db2.gz LLZYSKTWUVRXLG-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008341 1382269930 /nfs/dbraw/zinc/26/99/30/1382269930.db2.gz MBXMEJATVIVMQW-YZKSSJSGSA-N 2 0 347.547 3.211 20 0 EGADRP CN(C(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060487 1382286478 /nfs/dbraw/zinc/28/64/78/1382286478.db2.gz BSTJYWIBPAQDJV-KFWWJZLASA-N 2 0 344.286 3.112 20 0 EGADRP Cn1ccc2c1cc[nH+]c2NC1CC[NH+](CC(=O)C(C)(C)C)CC1 ZINC001161118870 1382306246 /nfs/dbraw/zinc/30/62/46/1382306246.db2.gz OTRCRNIVXHYOGG-UHFFFAOYSA-N 2 0 328.460 3.065 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161213428 1382343564 /nfs/dbraw/zinc/34/35/64/1382343564.db2.gz IDGUMBDEKWDOCF-LJQANCHMSA-N 2 0 337.552 3.435 20 0 EGADRP CCC[C@H](Cc1ccccc1)N(CCC)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001161388632 1382393751 /nfs/dbraw/zinc/39/37/51/1382393751.db2.gz JARJTRZRUAVHOU-VQTJNVASSA-N 2 0 347.547 3.483 20 0 EGADRP CCCC[C@H]([NH2+]C)C(=O)N(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161397459 1382398134 /nfs/dbraw/zinc/39/81/34/1382398134.db2.gz WXXZVFHOGZUXIT-UFYCRDLUSA-N 2 0 345.531 3.372 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444607 1382412937 /nfs/dbraw/zinc/41/29/37/1382412937.db2.gz HZQALMYNXFZJTN-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444828 1382413308 /nfs/dbraw/zinc/41/33/08/1382413308.db2.gz MUZOZKIVKFVNBT-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)Oc1cc[nH+]c(NC2(Cc3ccccn3)CC[NH2+]CC2)c1 ZINC001161495662 1382422331 /nfs/dbraw/zinc/42/23/31/1382422331.db2.gz ZXDHMASEMWVBBK-UHFFFAOYSA-N 2 0 326.444 3.041 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161650543 1382470867 /nfs/dbraw/zinc/47/08/67/1382470867.db2.gz HQHWNGOPYKPXJD-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705737 1382485838 /nfs/dbraw/zinc/48/58/38/1382485838.db2.gz XGKLETAQPYDGKD-VQTJNVASSA-N 2 0 349.563 3.291 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001161863816 1382533633 /nfs/dbraw/zinc/53/36/33/1382533633.db2.gz SXENCYMEFZYDNL-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP CC(C)(C)CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938508 1382562675 /nfs/dbraw/zinc/56/26/75/1382562675.db2.gz OVXWLIOOIZTIQH-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161952295 1382567919 /nfs/dbraw/zinc/56/79/19/1382567919.db2.gz FUOJTPVVCDCJPQ-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952681 1382568752 /nfs/dbraw/zinc/56/87/52/1382568752.db2.gz IPOPEOJQYCFOSX-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953039 1382569356 /nfs/dbraw/zinc/56/93/56/1382569356.db2.gz OYYZWWUMLAWHFP-QUCCMNQESA-N 2 0 349.563 3.291 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328682467 1388805736 /nfs/dbraw/zinc/80/57/36/1388805736.db2.gz VCTQMNYKGXGJOS-MWLCHTKSSA-N 2 0 336.329 3.106 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001328693120 1388810368 /nfs/dbraw/zinc/81/03/68/1388810368.db2.gz GRFUTLNKDOGMJV-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccccc2Cn2cc[nH+]c2N)c1 ZINC001162913313 1382914531 /nfs/dbraw/zinc/91/45/31/1382914531.db2.gz FBHYKLYCMQFIDO-CQSZACIVSA-N 2 0 331.423 3.477 20 0 EGADRP c1cc(N2CCCCC2)cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001162958113 1382927875 /nfs/dbraw/zinc/92/78/75/1382927875.db2.gz XWZGLBLSLBQTTB-SFHVURJKSA-N 2 0 344.503 3.033 20 0 EGADRP CC[C@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+](CC)CC ZINC001162960080 1382928005 /nfs/dbraw/zinc/92/80/05/1382928005.db2.gz LWQKLFJRCFQWFQ-IBGZPJMESA-N 2 0 347.547 3.035 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncnc2sc(C(C)C)cc21 ZINC001163122606 1382970332 /nfs/dbraw/zinc/97/03/32/1382970332.db2.gz NKIWSVCBXPCIDU-UHFFFAOYSA-N 2 0 334.493 3.093 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N[C@H]3CCCc4ccncc43)c2)CC1 ZINC001163173984 1382984516 /nfs/dbraw/zinc/98/45/16/1382984516.db2.gz UNMSFWLBMRNCEO-IBGZPJMESA-N 2 0 338.455 3.439 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N[C@@H]3CCc4c3cccc4O)c2)CC1 ZINC001163195270 1382989485 /nfs/dbraw/zinc/98/94/85/1382989485.db2.gz NEYMEPHPXVGLJN-GOSISDBHSA-N 2 0 339.439 3.360 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001163248112 1383004134 /nfs/dbraw/zinc/00/41/34/1383004134.db2.gz MXULPTNUDVTKEF-UHFFFAOYSA-N 2 0 343.515 3.001 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163248531 1383004781 /nfs/dbraw/zinc/00/47/81/1383004781.db2.gz QGWHDQUYQCJVRS-SFHVURJKSA-N 2 0 347.547 3.182 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CCC2=CCCCC2)CCCC1 ZINC001163290809 1383014097 /nfs/dbraw/zinc/01/40/97/1383014097.db2.gz QQRAYKHIPBNGIN-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP c1cn(-c2cc[nH+]c(NC3CC[NH+](C[C@H]4CC=CCC4)CC3)c2)cn1 ZINC001163322530 1383021940 /nfs/dbraw/zinc/02/19/40/1383021940.db2.gz WDACORUYAFLPEU-KRWDZBQOSA-N 2 0 337.471 3.500 20 0 EGADRP C[NH+](C)Cc1cccc(CNc2ccccc2Cn2cc[nH+]c2N)c1 ZINC001163998355 1383144501 /nfs/dbraw/zinc/14/45/01/1383144501.db2.gz GFKGLBIGODYABE-UHFFFAOYSA-N 2 0 335.455 3.187 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001164449363 1383187905 /nfs/dbraw/zinc/18/79/05/1383187905.db2.gz IWGKRHTWWISNDD-QGZVFWFLSA-N 2 0 325.541 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001164456375 1383188681 /nfs/dbraw/zinc/18/86/81/1383188681.db2.gz QQMGQDIONIJQSH-ICSRJNTNSA-N 2 0 345.531 3.274 20 0 EGADRP CC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491241 1383192843 /nfs/dbraw/zinc/19/28/43/1383192843.db2.gz CSDDSWJFDRROIL-RTLBZRNLSA-N 2 0 335.536 3.236 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164536667 1383197408 /nfs/dbraw/zinc/19/74/08/1383197408.db2.gz PKEVISPXERWUHP-AATRIKPKSA-N 2 0 349.563 3.483 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cc(OC3CC[NH+](C)CC3)ccn2)c1 ZINC001165141223 1383236171 /nfs/dbraw/zinc/23/61/71/1383236171.db2.gz PVTJDTUCACGHEJ-UHFFFAOYSA-N 2 0 326.444 3.018 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001328749639 1388840680 /nfs/dbraw/zinc/84/06/80/1388840680.db2.gz NNYHKXCFGVMXAR-LJQANCHMSA-N 2 0 337.552 3.364 20 0 EGADRP [NH3+][C@H]1CCN(c2c(F)cccc2NC2=CC[C@H]([NH+]3CCCC3)CC2)C1 ZINC001165213557 1383249543 /nfs/dbraw/zinc/24/95/43/1383249543.db2.gz ROVSEIPYPAHEMV-RDJZCZTQSA-N 2 0 344.478 3.307 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)CCC1 ZINC001165464818 1383299093 /nfs/dbraw/zinc/29/90/93/1383299093.db2.gz LSKJFMKBWSDUIM-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001165718920 1383331112 /nfs/dbraw/zinc/33/11/12/1383331112.db2.gz SVMBTUSTGFPOCQ-MAUKXSAKSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728774 1383334654 /nfs/dbraw/zinc/33/46/54/1383334654.db2.gz UCTRWNJGJCJQHH-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001166004241 1383376415 /nfs/dbraw/zinc/37/64/15/1383376415.db2.gz HIDFGFNGGSWCTM-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166389231 1383417970 /nfs/dbraw/zinc/41/79/70/1383417970.db2.gz CLCTZNFMMOCLCO-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391618 1383418334 /nfs/dbraw/zinc/41/83/34/1383418334.db2.gz WWZMDTPXLFOOCC-LLHWWHOWSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C)[NH+](CC)CC ZINC001166425975 1383421090 /nfs/dbraw/zinc/42/10/90/1383421090.db2.gz YHTFSCIADUAGGW-HXUWFJFHSA-N 2 0 347.547 3.328 20 0 EGADRP c1c2ccccc2n(-c2nccc(C3CC[NH2+]CC3)n2)c1[C@@H]1CCC[NH2+]1 ZINC001166657156 1383454500 /nfs/dbraw/zinc/45/45/00/1383454500.db2.gz WRJDMJUJRWKSTO-SFHVURJKSA-N 2 0 347.466 3.312 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736908 1383468701 /nfs/dbraw/zinc/46/87/01/1383468701.db2.gz WEQBBTXXOLORKV-GOSISDBHSA-N 2 0 347.547 3.182 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)CC(C)(C)C ZINC001166744384 1383470050 /nfs/dbraw/zinc/47/00/50/1383470050.db2.gz UJMIOTMYKLMRLS-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1ccccc1 ZINC001167224457 1383570358 /nfs/dbraw/zinc/57/03/58/1383570358.db2.gz KPTJKOGLQMQNED-ROUUACIJSA-N 2 0 343.515 3.108 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167392120 1383620806 /nfs/dbraw/zinc/62/08/06/1383620806.db2.gz XOHBGNPXYLUOJQ-AATRIKPKSA-N 2 0 349.563 3.341 20 0 EGADRP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC001167443108 1383635600 /nfs/dbraw/zinc/63/56/00/1383635600.db2.gz MRMCBZAFPDKGNS-GOSISDBHSA-N 2 0 347.478 3.413 20 0 EGADRP C[C@H](C(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001300205944 1383652477 /nfs/dbraw/zinc/65/24/77/1383652477.db2.gz BFPXEVVLKZQSIC-IIMDRIAPSA-N 2 0 343.515 3.029 20 0 EGADRP C[NH+](C)CC[C@@H](c1ccc(-n2cccc2C[NH3+])cc1)c1ccccn1 ZINC001167593598 1383683704 /nfs/dbraw/zinc/68/37/04/1383683704.db2.gz VEGHTIJICYLWAU-FQEVSTJZSA-N 2 0 334.467 3.415 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167627007 1383692318 /nfs/dbraw/zinc/69/23/18/1383692318.db2.gz ISCMVFWSDYEOLR-MSOLQXFVSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001167619396 1383690560 /nfs/dbraw/zinc/69/05/60/1383690560.db2.gz BKTUKZKUUDXADP-OALUTQOASA-N 2 0 345.531 3.416 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001167636620 1383694777 /nfs/dbraw/zinc/69/47/77/1383694777.db2.gz WFXXBCKGUJUHDI-PMACEKPBSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001167667724 1383705128 /nfs/dbraw/zinc/70/51/28/1383705128.db2.gz MACRSJSORFIJBU-ROUUACIJSA-N 2 0 337.552 3.031 20 0 EGADRP CCCC[NH+](CCCC)CCNc1cccc(N2CC[NH2+]CC2)c1 ZINC001167734497 1383724905 /nfs/dbraw/zinc/72/49/05/1383724905.db2.gz HPOSZUZRDKSSDB-UHFFFAOYSA-N 2 0 332.536 3.410 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001167736653 1383725724 /nfs/dbraw/zinc/72/57/24/1383725724.db2.gz FJURVJVCZDAWSL-ACBHZAAOSA-N 2 0 349.563 3.031 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742741 1383726659 /nfs/dbraw/zinc/72/66/59/1383726659.db2.gz VVNWIYXJGPCWDH-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP COc1cc2[nH+]ccc(NCCC[N@@H+]3CCCC[C@@H]3C)c2cc1OC ZINC001167753222 1383731817 /nfs/dbraw/zinc/73/18/17/1383731817.db2.gz MPZJCIBUAAGKGV-HNNXBMFYSA-N 2 0 343.471 3.350 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCn3c(C)cnc32)CC1 ZINC001167826443 1383750209 /nfs/dbraw/zinc/75/02/09/1383750209.db2.gz YLHZOJBYQRQGKC-KRWDZBQOSA-N 2 0 332.536 3.439 20 0 EGADRP CCOC(=O)C[C@@H]1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C[C@H]1C ZINC001167834814 1383753394 /nfs/dbraw/zinc/75/33/94/1383753394.db2.gz MWFCVRIETCFJDB-KURKYZTESA-N 2 0 326.525 3.408 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001167828101 1383750802 /nfs/dbraw/zinc/75/08/02/1383750802.db2.gz WIOYYTDYOGBTAN-UWJYYQICSA-N 2 0 343.515 3.117 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167839625 1383755902 /nfs/dbraw/zinc/75/59/02/1383755902.db2.gz AWLXDNNXLANHQP-IKGGRYGDSA-N 2 0 341.540 3.342 20 0 EGADRP Cc1cc(Br)c(Cl)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167877714 1383763948 /nfs/dbraw/zinc/76/39/48/1383763948.db2.gz BGCLJLHWWJGUCP-UHFFFAOYSA-N 2 0 333.661 3.086 20 0 EGADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001167943108 1383774900 /nfs/dbraw/zinc/77/49/00/1383774900.db2.gz HIPQLEGTEYAVRI-KRWDZBQOSA-N 2 0 347.503 3.276 20 0 EGADRP c1ccc(CN2CC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167963855 1383780518 /nfs/dbraw/zinc/78/05/18/1383780518.db2.gz GGQGNPBSNXECHR-FRIKZZABSA-N 2 0 339.527 3.113 20 0 EGADRP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995497 1383791562 /nfs/dbraw/zinc/79/15/62/1383791562.db2.gz HRQHQKOYXFUZLV-HTUJPFKRSA-N 2 0 348.531 3.446 20 0 EGADRP C[C@@H]1CC([NH2+]CCN2CCCCC2=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005000 1383794115 /nfs/dbraw/zinc/79/41/15/1383794115.db2.gz DHFGDWMNLVOHGZ-QZTJIDSGSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC([NH2+][C@H]2CN3CCC2CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008631 1383795708 /nfs/dbraw/zinc/79/57/08/1383795708.db2.gz FPVLWPCNMWSHBG-LZJOCLMNSA-N 2 0 327.516 3.112 20 0 EGADRP CCOC(=O)C[C@H](C)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013703 1383796540 /nfs/dbraw/zinc/79/65/40/1383796540.db2.gz INHRTOFXXJPIDI-ULQDDVLXSA-N 2 0 332.488 3.359 20 0 EGADRP Cc1ncn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1CC[NH3+] ZINC001168011916 1383796638 /nfs/dbraw/zinc/79/66/38/1383796638.db2.gz UHYKNQKVDADKAD-HGKCTWBKSA-N 2 0 326.488 3.307 20 0 EGADRP CCOC(=O)[C@H]1C[C@@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168020444 1383798493 /nfs/dbraw/zinc/79/84/93/1383798493.db2.gz NBGSSAGSCNFRMY-CIWUYKSXSA-N 2 0 344.499 3.359 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[NH+](C3CC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040445 1383803183 /nfs/dbraw/zinc/80/31/83/1383803183.db2.gz MUZZXIDPFRRBRU-RMFSNUHRSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@H]1CC(N2CC[N@H+](C)C(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059489 1383806331 /nfs/dbraw/zinc/80/63/31/1383806331.db2.gz FYDFOFKOMPEJGJ-ROUUACIJSA-N 2 0 329.532 3.454 20 0 EGADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168066496 1383809210 /nfs/dbraw/zinc/80/92/10/1383809210.db2.gz PDSBDILXEJDNEE-JYWFKMLOSA-N 2 0 327.516 3.206 20 0 EGADRP COC(=O)[C@]1(C)CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168066611 1383809651 /nfs/dbraw/zinc/80/96/51/1383809651.db2.gz QODKSNHDVUJPBV-CBGDNZLLSA-N 2 0 344.499 3.313 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168197793 1383841974 /nfs/dbraw/zinc/84/19/74/1383841974.db2.gz AAFKCDWFVKDBFT-SFHVURJKSA-N 2 0 337.552 3.175 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168291488 1383865490 /nfs/dbraw/zinc/86/54/90/1383865490.db2.gz YYPRUAYKPLWGBE-PJHKVULZSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC001168305601 1383868399 /nfs/dbraw/zinc/86/83/99/1383868399.db2.gz PMHKIQAEWLUDJQ-GPANFISMSA-N 2 0 341.540 3.388 20 0 EGADRP COc1cccc(C(=O)C2CC[NH+](C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168313586 1383870775 /nfs/dbraw/zinc/87/07/75/1383870775.db2.gz DOIGDWQFMSDGIU-UHFFFAOYSA-N 2 0 344.499 3.463 20 0 EGADRP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C2CCC([NH+](C)C)CC2)o1 ZINC001168319757 1383871692 /nfs/dbraw/zinc/87/16/92/1383871692.db2.gz XJJXIMSKZUYOJM-ZYKFHVCXSA-N 2 0 331.504 3.109 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327122 1383874086 /nfs/dbraw/zinc/87/40/86/1383874086.db2.gz QTOXJCAXBCNWQX-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC001168331048 1383874940 /nfs/dbraw/zinc/87/49/40/1383874940.db2.gz XERYSIBTAIUQSA-UHFFFAOYSA-N 2 0 344.503 3.145 20 0 EGADRP [NH3+]C1(c2ccccc2Cl)CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365777 1383884091 /nfs/dbraw/zinc/88/40/91/1383884091.db2.gz WPQUDBRFZJXYCL-UHFFFAOYSA-N 2 0 347.934 3.464 20 0 EGADRP c1ccc2c(c1)COC21CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168393180 1383893518 /nfs/dbraw/zinc/89/35/18/1383893518.db2.gz YPUDWSNPLWCVTO-UHFFFAOYSA-N 2 0 326.484 3.382 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168438381 1383906118 /nfs/dbraw/zinc/90/61/18/1383906118.db2.gz AMXUOTCOUTXNIT-NRFANRHFSA-N 2 0 347.522 3.033 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001168483921 1383919650 /nfs/dbraw/zinc/91/96/50/1383919650.db2.gz CMZYKUWULSADKL-AHRSYUTCSA-N 2 0 339.458 3.216 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001168596402 1383944281 /nfs/dbraw/zinc/94/42/81/1383944281.db2.gz VKGNQUKNOTWLJH-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1c(C)cccc1C ZINC001168595533 1383944362 /nfs/dbraw/zinc/94/43/62/1383944362.db2.gz KDPXTDVSKBAJEC-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC001307686148 1384013825 /nfs/dbraw/zinc/01/38/25/1384013825.db2.gz JQEBSQXLSHLRRO-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168810099 1384014873 /nfs/dbraw/zinc/01/48/73/1384014873.db2.gz ZGEGWKLKGODCNY-RDJZCZTQSA-N 2 0 339.524 3.094 20 0 EGADRP [NH3+]Cc1ccc2ncn(-c3ccc(SC4CC[NH2+]CC4)cc3)c2c1 ZINC001168846937 1384033105 /nfs/dbraw/zinc/03/31/05/1384033105.db2.gz WXPMAEBVVPYDGJ-UHFFFAOYSA-N 2 0 338.480 3.328 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168886143 1384047270 /nfs/dbraw/zinc/04/72/70/1384047270.db2.gz XOCMLLOINKHXFL-JKSUJKDBSA-N 2 0 327.513 3.048 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001169095380 1384105973 /nfs/dbraw/zinc/10/59/73/1384105973.db2.gz QNBRYUXORBRFIK-OWZKRDHZSA-N 2 0 331.479 3.005 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169095304 1384106104 /nfs/dbraw/zinc/10/61/04/1384106104.db2.gz OYLUSCZRMVHEFR-UDZJMTLYSA-N 2 0 349.519 3.132 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001169096213 1384106447 /nfs/dbraw/zinc/10/64/47/1384106447.db2.gz VUOXRKMYPLETEV-NXOAAHMSSA-N 2 0 335.289 3.131 20 0 EGADRP Cc1ccc(F)c(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169112816 1384108660 /nfs/dbraw/zinc/10/86/60/1384108660.db2.gz SUQXBCKBOSBNPR-OWZKRDHZSA-N 2 0 345.506 3.313 20 0 EGADRP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001169124908 1384110333 /nfs/dbraw/zinc/11/03/33/1384110333.db2.gz GQVFRIFIDIUVAJ-RKNHFHLDSA-N 2 0 327.516 3.206 20 0 EGADRP COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147021 1384114793 /nfs/dbraw/zinc/11/47/93/1384114793.db2.gz RFTBNWCSMDXUTH-YSHGAJCASA-N 2 0 332.488 3.157 20 0 EGADRP CC1(C)C[C@H](Nc2cccc(N3CC[NH2+]CC3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151927 1384115464 /nfs/dbraw/zinc/11/54/64/1384115464.db2.gz NNLFVKHZNMGLLA-FXAWDEMLSA-N 2 0 330.520 3.052 20 0 EGADRP Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001308340673 1384120628 /nfs/dbraw/zinc/12/06/28/1384120628.db2.gz DKKKPSNPNLAUGB-CQSZACIVSA-N 2 0 331.460 3.125 20 0 EGADRP C[NH+](C)CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CCCC1 ZINC001308367157 1384122396 /nfs/dbraw/zinc/12/23/96/1384122396.db2.gz WWXYCLJFYCTXAW-UHFFFAOYSA-N 2 0 330.451 3.427 20 0 EGADRP c1cc2c(c(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c1)CCC2 ZINC001308637428 1384138532 /nfs/dbraw/zinc/13/85/32/1384138532.db2.gz KZEAYERQTITXKL-UHFFFAOYSA-N 2 0 342.527 3.500 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001308682993 1384142145 /nfs/dbraw/zinc/14/21/45/1384142145.db2.gz JXIIJZYZFITMIY-HRAATJIYSA-N 2 0 342.458 3.113 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169453070 1384149636 /nfs/dbraw/zinc/14/96/36/1384149636.db2.gz UBNTUQZWFQUWIZ-BRWVUGGUSA-N 2 0 325.541 3.251 20 0 EGADRP [NH3+]CCc1cn(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c2cccnc12 ZINC001169709593 1384175919 /nfs/dbraw/zinc/17/59/19/1384175919.db2.gz ZJYWUNIGSNQTHH-UHFFFAOYSA-N 2 0 344.462 3.175 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001169810609 1384188231 /nfs/dbraw/zinc/18/82/31/1384188231.db2.gz RIWPEFGPXWEVSV-QUCCMNQESA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CCCC2CCCC2)CC1 ZINC001169948847 1384202690 /nfs/dbraw/zinc/20/26/90/1384202690.db2.gz UTZJWOSEDBPWGA-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)CCO1 ZINC001170159691 1384251623 /nfs/dbraw/zinc/25/16/23/1384251623.db2.gz BUMLACDOMPDPHV-LSDHHAIUSA-N 2 0 326.506 3.122 20 0 EGADRP CC[C@@H]1CC([NH2+]CCC[NH+](C)C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170460115 1384324781 /nfs/dbraw/zinc/32/47/81/1384324781.db2.gz QGJKGDHZZXYJOY-IAGOWNOFSA-N 2 0 341.540 3.484 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170529580 1384336128 /nfs/dbraw/zinc/33/61/28/1384336128.db2.gz NXTCEECIUYALMG-AFYVEPGGSA-N 2 0 344.499 3.409 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170795296 1384387096 /nfs/dbraw/zinc/38/70/96/1384387096.db2.gz JWKNKBSRUORANQ-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCOCC1 ZINC001170800341 1384387958 /nfs/dbraw/zinc/38/79/58/1384387958.db2.gz ZFAFZBAGBFGCOJ-FHWLQOOXSA-N 2 0 332.488 3.336 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCOCC4)CC[C@@H]3C2)cc1 ZINC001170846202 1384397659 /nfs/dbraw/zinc/39/76/59/1384397659.db2.gz YOWNRQYOJUUJJS-NJDAHSKKSA-N 2 0 328.500 3.400 20 0 EGADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170849511 1384397859 /nfs/dbraw/zinc/39/78/59/1384397859.db2.gz MJHVKFQSOKIWGA-MRXNPFEDSA-N 2 0 325.294 3.366 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC001170898048 1384407604 /nfs/dbraw/zinc/40/76/04/1384407604.db2.gz BGJNLZZTIKRRBQ-QGZVFWFLSA-N 2 0 346.272 3.456 20 0 EGADRP Cc1ccc(-c2csc3ncnc(N[C@@H]([NH3+])CCC[NH3+])c23)cc1C ZINC001170897301 1384407626 /nfs/dbraw/zinc/40/76/26/1384407626.db2.gz LYDGGEQCQZQFMP-OAHLLOKOSA-N 2 0 341.484 3.411 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170974526 1384421351 /nfs/dbraw/zinc/42/13/51/1384421351.db2.gz UZZNZLISQGOPMJ-LNLFQRSKSA-N 2 0 346.490 3.434 20 0 EGADRP C[NH+](C)/C=C/c1ccncc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171097829 1384445482 /nfs/dbraw/zinc/44/54/82/1384445482.db2.gz CXRVFKGZETXFLF-YBHKSSGVSA-N 2 0 332.451 3.374 20 0 EGADRP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001171113629 1384448319 /nfs/dbraw/zinc/44/83/19/1384448319.db2.gz UACSJQFVJMATCT-VAMGGRTRSA-N 2 0 348.918 3.430 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237189 1384476735 /nfs/dbraw/zinc/47/67/35/1384476735.db2.gz QAAFHVJDGMDLJP-QZTJIDSGSA-N 2 0 345.531 3.497 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246574 1384477642 /nfs/dbraw/zinc/47/76/42/1384477642.db2.gz FXOIMUBIDIXPFJ-CRAIPNDOSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248384 1384478455 /nfs/dbraw/zinc/47/84/55/1384478455.db2.gz UAJQCVOSQCJLRF-VQIMIIECSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001171261637 1384481360 /nfs/dbraw/zinc/48/13/60/1384481360.db2.gz XIMJUUFLWOSQJZ-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171317025 1384493295 /nfs/dbraw/zinc/49/32/95/1384493295.db2.gz CTIGKWGGHIYHTC-QUCCMNQESA-N 2 0 345.531 3.326 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3c(F)cccc3C2)cc1 ZINC001171397655 1384512520 /nfs/dbraw/zinc/51/25/20/1384512520.db2.gz RGYDFKLLZHWYEJ-SFHVURJKSA-N 2 0 342.458 3.413 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508726 1384545646 /nfs/dbraw/zinc/54/56/46/1384545646.db2.gz HHQUKUGWDYQMTQ-XBMUEBEBSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001171537422 1384555598 /nfs/dbraw/zinc/55/55/98/1384555598.db2.gz CEUCDYQAJYIZNZ-ICSRJNTNSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001171538789 1384556373 /nfs/dbraw/zinc/55/63/73/1384556373.db2.gz ONCOEDUNWCMJTK-QUCCMNQESA-N 2 0 345.531 3.244 20 0 EGADRP COc1cccc2c1C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CO2 ZINC001171623507 1384583015 /nfs/dbraw/zinc/58/30/15/1384583015.db2.gz AUOIMNAJWDGIDD-CQSZACIVSA-N 2 0 332.488 3.240 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CCN(c3ccccn3)CC2)CC1(C)C ZINC001171623443 1384583219 /nfs/dbraw/zinc/58/32/19/1384583219.db2.gz ZCSRWQJIEZMHBI-UHFFFAOYSA-N 2 0 330.520 3.291 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC2CCC3(CCC(=O)N3)CC2)CC1(C)C ZINC001171623134 1384583327 /nfs/dbraw/zinc/58/33/27/1384583327.db2.gz LMAWGNQPYRKWOK-UHFFFAOYSA-N 2 0 335.536 3.066 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC1(C)C ZINC001171625329 1384584025 /nfs/dbraw/zinc/58/40/25/1384584025.db2.gz HOXNISHOYYZEID-KRWDZBQOSA-N 2 0 349.563 3.409 20 0 EGADRP COc1ccc(C2(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)nc1 ZINC001171626810 1384584548 /nfs/dbraw/zinc/58/45/48/1384584548.db2.gz BSVOCPZUSDKEJO-UHFFFAOYSA-N 2 0 331.504 3.363 20 0 EGADRP COc1ccc(O[C@@H]2CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)nc1 ZINC001171641698 1384589384 /nfs/dbraw/zinc/58/93/84/1384589384.db2.gz UCGHOWPYFNYBGJ-QGZVFWFLSA-N 2 0 347.503 3.195 20 0 EGADRP Cc1ccnc(O[C@H]2CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171642161 1384589662 /nfs/dbraw/zinc/58/96/62/1384589662.db2.gz YPUJGLHYEQUAJP-KRWDZBQOSA-N 2 0 346.519 3.280 20 0 EGADRP CCc1noc(C2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n1 ZINC001171643514 1384590394 /nfs/dbraw/zinc/59/03/94/1384590394.db2.gz WEMQFAMCFPSRPF-UHFFFAOYSA-N 2 0 334.508 3.463 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171645827 1384591362 /nfs/dbraw/zinc/59/13/62/1384591362.db2.gz CKJQMPIRWIYDRZ-RBUKOAKNSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@@H]1C[C@@H](n2c3ccccc3nc2CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171724929 1384613861 /nfs/dbraw/zinc/61/38/61/1384613861.db2.gz FHRLQGFVTOWNKW-SJLPKXTDSA-N 2 0 334.467 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001171731367 1384617161 /nfs/dbraw/zinc/61/71/61/1384617161.db2.gz FDSZNGHMULHBSE-GOSISDBHSA-N 2 0 337.483 3.105 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC001171732436 1384618100 /nfs/dbraw/zinc/61/81/00/1384618100.db2.gz AINPHKQRZLKPOK-RQXATKFSSA-N 2 0 327.516 3.254 20 0 EGADRP C[C@@H]1C[C@H](N2CCC([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171746930 1384624288 /nfs/dbraw/zinc/62/42/88/1384624288.db2.gz UVTQROYTMXWQSX-NQIIRXRSSA-N 2 0 327.516 3.210 20 0 EGADRP Fc1cccc2c1C[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001171804973 1384644177 /nfs/dbraw/zinc/64/41/77/1384644177.db2.gz IVQFJWROXFXERI-ZCNNSNEGSA-N 2 0 336.454 3.357 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171871817 1384666359 /nfs/dbraw/zinc/66/63/59/1384666359.db2.gz CTXCFJYNBSNPRE-HDYDNRTBSA-N 2 0 343.515 3.144 20 0 EGADRP [NH3+]CCC1CCC([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171877109 1384668553 /nfs/dbraw/zinc/66/85/53/1384668553.db2.gz JYBPCHLDTKYFHE-SYYJFZTOSA-N 2 0 343.515 3.179 20 0 EGADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171885154 1384671773 /nfs/dbraw/zinc/67/17/73/1384671773.db2.gz CTXCFJYNBSNPRE-AQNXPRMDSA-N 2 0 343.515 3.144 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171923212 1384683235 /nfs/dbraw/zinc/68/32/35/1384683235.db2.gz DMJXSZKMEKZVSM-CDDIUSEKSA-N 2 0 349.563 3.482 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973896 1384699321 /nfs/dbraw/zinc/69/93/21/1384699321.db2.gz ATIRWUAOBZPMOQ-CEXWTWQISA-N 2 0 344.499 3.361 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCN2CCC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974537 1384700691 /nfs/dbraw/zinc/70/06/91/1384700691.db2.gz HPCBTUJTIHYVOY-PMACEKPBSA-N 2 0 347.522 3.453 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCOc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171978120 1384702631 /nfs/dbraw/zinc/70/26/31/1384702631.db2.gz IUPGJTSTGHZNDR-IBGZPJMESA-N 2 0 339.483 3.493 20 0 EGADRP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984643 1384703899 /nfs/dbraw/zinc/70/38/99/1384703899.db2.gz WXRRRRBRTRBOOM-GBESFXJTSA-N 2 0 344.499 3.361 20 0 EGADRP COC(=O)C[C@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987693 1384705992 /nfs/dbraw/zinc/70/59/92/1384705992.db2.gz ZYUXZLREHNJFEU-MOPGFXCFSA-N 2 0 344.499 3.315 20 0 EGADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065410 1384716299 /nfs/dbraw/zinc/71/62/99/1384716299.db2.gz MMJICSWAEGLMMS-KJFMYELZSA-N 2 0 342.483 3.113 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098863 1384725717 /nfs/dbraw/zinc/72/57/17/1384725717.db2.gz GYGPSZSFFUPPPB-WKCHPHFGSA-N 3 0 327.516 3.387 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C2 ZINC001172109079 1384728425 /nfs/dbraw/zinc/72/84/25/1384728425.db2.gz ARUKSEQHKYMRIK-MUJYYYPQSA-N 2 0 337.508 3.039 20 0 EGADRP Cc1c(CC[NH3+])c2cc(O)ccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115106 1384731361 /nfs/dbraw/zinc/73/13/61/1384731361.db2.gz UMEGPKJMIZOPJX-ZSHCYNCHSA-N 2 0 327.472 3.344 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122739 1384734512 /nfs/dbraw/zinc/73/45/12/1384734512.db2.gz UAILMEHCEXHWRC-HZMVEIRTSA-N 2 0 336.426 3.433 20 0 EGADRP COC(C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)OC ZINC001172121331 1384735100 /nfs/dbraw/zinc/73/51/00/1384735100.db2.gz PLPWASORLRJFDJ-REPLKXPHSA-N 2 0 332.488 3.123 20 0 EGADRP CCCc1noc([C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)n1 ZINC001172129150 1384737647 /nfs/dbraw/zinc/73/76/47/1384737647.db2.gz XARMCIMLPJUJOI-NXOAAHMSSA-N 2 0 332.492 3.217 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@H]2CSc3ccccc3C2)CC1 ZINC001172201867 1384746966 /nfs/dbraw/zinc/74/69/66/1384746966.db2.gz ORBKGUKLCDFECC-ZHALLVOQSA-N 2 0 346.540 3.454 20 0 EGADRP CCC(CC)[N@@H+](C1CCN(CCCOC)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172249191 1384755946 /nfs/dbraw/zinc/75/59/46/1384755946.db2.gz ZBKYEVKUZBNEAV-UAPYVXQJSA-N 2 0 339.568 3.248 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001172334830 1384772940 /nfs/dbraw/zinc/77/29/40/1384772940.db2.gz JCHJHLXAYCOXIH-DLBZAZTESA-N 2 0 326.525 3.061 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C ZINC001172358222 1384777367 /nfs/dbraw/zinc/77/73/67/1384777367.db2.gz GLNBNBQQKCEPDA-OPYAIIAOSA-N 2 0 329.532 3.348 20 0 EGADRP COc1cc[nH+]c(N([C@@H](C)CCOCC(C)C)C2CC[NH2+]CC2)c1 ZINC001172480600 1384802235 /nfs/dbraw/zinc/80/22/35/1384802235.db2.gz NVVOESVSZGHPNP-INIZCTEOSA-N 2 0 335.492 3.100 20 0 EGADRP CCCC[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172622761 1384821259 /nfs/dbraw/zinc/82/12/59/1384821259.db2.gz NNSDQPRDUVIPOS-SJORKVTESA-N 2 0 341.540 3.486 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172626337 1384822499 /nfs/dbraw/zinc/82/24/99/1384822499.db2.gz DLTPZAVORCWREJ-AQNXPRMDSA-N 2 0 344.499 3.172 20 0 EGADRP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172631826 1384823698 /nfs/dbraw/zinc/82/36/98/1384823698.db2.gz ADDFBIFMGCXKIS-ARFHVFGLSA-N 2 0 327.513 3.129 20 0 EGADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001172713760 1384835340 /nfs/dbraw/zinc/83/53/40/1384835340.db2.gz ZHWBOABAECBLGM-GUDVDZBRSA-N 2 0 334.891 3.040 20 0 EGADRP CCCOC1CCC([NH2+]Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001173091143 1384912718 /nfs/dbraw/zinc/91/27/18/1384912718.db2.gz OLIKQTSCPKDQKJ-UHFFFAOYSA-N 2 0 345.531 3.266 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(CC(=O)OC)cc2)CC1 ZINC001173103528 1384915508 /nfs/dbraw/zinc/91/55/08/1384915508.db2.gz KZEWKHCLEPPLOC-UHFFFAOYSA-N 2 0 332.488 3.145 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3ccccn3)CCOCC2)CC1 ZINC001173106366 1384915670 /nfs/dbraw/zinc/91/56/70/1384915670.db2.gz MSZHUUGSASDERA-UHFFFAOYSA-N 2 0 345.531 3.372 20 0 EGADRP CCOC[C@@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2cn(C)nc21 ZINC001173108760 1384916319 /nfs/dbraw/zinc/91/63/19/1384916319.db2.gz AZOVCDDBNKXUPN-VIQWUECVSA-N 2 0 348.535 3.009 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001173111116 1384917280 /nfs/dbraw/zinc/91/72/80/1384917280.db2.gz SALXEGCVWWBORW-OAHAVBBTSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001173174809 1384930765 /nfs/dbraw/zinc/93/07/65/1384930765.db2.gz CTKRSTFCUBDQIM-FYZZASKESA-N 2 0 328.500 3.398 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317167420 1384931857 /nfs/dbraw/zinc/93/18/57/1384931857.db2.gz QHWMRZAUOYCCSL-HKUYNNGSSA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001173266896 1384947852 /nfs/dbraw/zinc/94/78/52/1384947852.db2.gz IHWFQLWKBIKHME-IAGOWNOFSA-N 2 0 341.540 3.391 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317190900 1384964480 /nfs/dbraw/zinc/96/44/80/1384964480.db2.gz ZINQEPPUKMQHSI-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC([NH+](CC)CC)CC1)CC2 ZINC001173616437 1384988460 /nfs/dbraw/zinc/98/84/60/1384988460.db2.gz RJVVVCBEDWSRKE-KGXSXCIVSA-N 2 0 336.520 3.305 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)C1 ZINC001173648347 1384994945 /nfs/dbraw/zinc/99/49/45/1384994945.db2.gz JIZWXDSSXUZCPD-APWZRJJASA-N 2 0 336.520 3.162 20 0 EGADRP Cc1cccc(C[NH2+]C2CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1 ZINC001317217373 1384997387 /nfs/dbraw/zinc/99/73/87/1384997387.db2.gz QRNWOCBRNLWUCF-MHJFOBGBSA-N 2 0 345.531 3.098 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001173714935 1385007382 /nfs/dbraw/zinc/00/73/82/1385007382.db2.gz LJFMFSHTRUSOMZ-DLBZAZTESA-N 2 0 332.488 3.258 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001317410672 1385121868 /nfs/dbraw/zinc/12/18/68/1385121868.db2.gz LPGZXOBTQOFWOO-GOSISDBHSA-N 2 0 345.531 3.100 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880775 1385164143 /nfs/dbraw/zinc/16/41/43/1385164143.db2.gz HJPRHYCAKZGETF-HKUYNNGSSA-N 2 0 337.552 3.458 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906379 1385168759 /nfs/dbraw/zinc/16/87/59/1385168759.db2.gz STCOXDZYJWKMIT-BJLQDIEVSA-N 2 0 345.531 3.182 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949377 1385173363 /nfs/dbraw/zinc/17/33/63/1385173363.db2.gz QTVFXPCDEUUQPT-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1ccc(CCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001175048607 1385186164 /nfs/dbraw/zinc/18/61/64/1385186164.db2.gz IYZOASJNPWWGCW-IBGZPJMESA-N 2 0 347.547 3.144 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175049759 1385186472 /nfs/dbraw/zinc/18/64/72/1385186472.db2.gz XVRWBNZSJKTCPM-QZTJIDSGSA-N 2 0 333.520 3.272 20 0 EGADRP CCOc1cccc(F)c1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001175223428 1385224302 /nfs/dbraw/zinc/22/43/02/1385224302.db2.gz CMHFUPOQUAVFBM-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256225 1385230985 /nfs/dbraw/zinc/23/09/85/1385230985.db2.gz JFFNWNCRFUEBFE-SJORKVTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001175566745 1385334208 /nfs/dbraw/zinc/33/42/08/1385334208.db2.gz ZDMHUDPWQQMXRU-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175571561 1385334911 /nfs/dbraw/zinc/33/49/11/1385334911.db2.gz CBXHUODYIRHVOP-ZWKOTPCHSA-N 2 0 325.541 3.314 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175573590 1385336853 /nfs/dbraw/zinc/33/68/53/1385336853.db2.gz OZSKXRXPVLTUNM-RBUKOAKNSA-N 2 0 337.552 3.480 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001175768706 1385399887 /nfs/dbraw/zinc/39/98/87/1385399887.db2.gz MQSQFEGPPVBNIA-JLAWEPINSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)CC1 ZINC001175967781 1385447469 /nfs/dbraw/zinc/44/74/69/1385447469.db2.gz OBODRQWJLNHLCK-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176022910 1385463680 /nfs/dbraw/zinc/46/36/80/1385463680.db2.gz DCMRZMXRCFMZBK-QZTJIDSGSA-N 2 0 333.520 3.354 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC)c1 ZINC001176024504 1385464123 /nfs/dbraw/zinc/46/41/23/1385464123.db2.gz PDWOPNSOOHBGSQ-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001317787468 1385479447 /nfs/dbraw/zinc/47/94/47/1385479447.db2.gz GFZWVNYXGIRAGU-MRXNPFEDSA-N 2 0 349.544 3.052 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC ZINC001176112651 1385488032 /nfs/dbraw/zinc/48/80/32/1385488032.db2.gz XPZOZEKVNPVCHQ-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192261 1385507260 /nfs/dbraw/zinc/50/72/60/1385507260.db2.gz GXIYHAFCAIISTQ-CGZBRXJRSA-N 2 0 346.519 3.072 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CCCC[NH+](C)C ZINC001176231889 1385522349 /nfs/dbraw/zinc/52/23/49/1385522349.db2.gz YNLCOEXMIKLMFS-KRWDZBQOSA-N 2 0 331.520 3.123 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001176752929 1385683180 /nfs/dbraw/zinc/68/31/80/1385683180.db2.gz BENPGYBELMVPRM-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176759881 1385686888 /nfs/dbraw/zinc/68/68/88/1385686888.db2.gz NPYCXBJJVQYGQE-ICSRJNTNSA-N 2 0 345.531 3.326 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001176884532 1385731064 /nfs/dbraw/zinc/73/10/64/1385731064.db2.gz LSEWERFPWKXFFA-LJQANCHMSA-N 2 0 331.504 3.110 20 0 EGADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001318561805 1385758070 /nfs/dbraw/zinc/75/80/70/1385758070.db2.gz KQNFOIDAXKRIQB-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001176975726 1385761412 /nfs/dbraw/zinc/76/14/12/1385761412.db2.gz VXSQTGSMUHNZOW-QGZVFWFLSA-N 2 0 347.547 3.481 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001176992481 1385766917 /nfs/dbraw/zinc/76/69/17/1385766917.db2.gz RACVFKYDEKMHJI-ZTIWFVSMSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2cccc(C)c2)CCCC1 ZINC001318664134 1385823958 /nfs/dbraw/zinc/82/39/58/1385823958.db2.gz JUOXHSPKSQHISN-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001318959339 1385897783 /nfs/dbraw/zinc/89/77/83/1385897783.db2.gz ONYATNPJLIGTOE-NCXUSEDFSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001177336734 1385918801 /nfs/dbraw/zinc/91/88/01/1385918801.db2.gz VLHXHZCHDATITE-LJQANCHMSA-N 2 0 345.531 3.418 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345130 1385922239 /nfs/dbraw/zinc/92/22/39/1385922239.db2.gz PXUIBWYXDPTXKI-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001177348914 1385924577 /nfs/dbraw/zinc/92/45/77/1385924577.db2.gz RBPZQMYGYARYPX-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CCC[NH2+]CC)CC2CCCC2)C1 ZINC001177394516 1385941943 /nfs/dbraw/zinc/94/19/43/1385941943.db2.gz HZGDXTSSSKCMQJ-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177402675 1385944120 /nfs/dbraw/zinc/94/41/20/1385944120.db2.gz UYGSUPNCEWFFRW-GOSISDBHSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[C@@H](C[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001177724766 1386029158 /nfs/dbraw/zinc/02/91/58/1386029158.db2.gz LCPLVERRHORYSI-CTNGQTDRSA-N 2 0 331.548 3.434 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001319286371 1386043503 /nfs/dbraw/zinc/04/35/03/1386043503.db2.gz VNIFPRMZSZEMNH-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001178045921 1386115443 /nfs/dbraw/zinc/11/54/43/1386115443.db2.gz ZJAJCFRAHKJJBB-UYAOXDASSA-N 2 0 345.531 3.416 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001178045897 1386115588 /nfs/dbraw/zinc/11/55/88/1386115588.db2.gz YYIAEDQRYCSVFU-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001178045674 1386115604 /nfs/dbraw/zinc/11/56/04/1386115604.db2.gz RSBUTLYUWIFOTR-VQTJNVASSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001319473229 1386137079 /nfs/dbraw/zinc/13/70/79/1386137079.db2.gz PQJZJGSEMQHKCX-GOSISDBHSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001178153036 1386144638 /nfs/dbraw/zinc/14/46/38/1386144638.db2.gz YMKGXNKXKZEDMZ-IEBWSBKVSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178484612 1386232086 /nfs/dbraw/zinc/23/20/86/1386232086.db2.gz WWRDBEYZBZQJSR-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CC[NH+](CC2CCOCC2)CC1 ZINC001319655578 1386236250 /nfs/dbraw/zinc/23/62/50/1386236250.db2.gz SDNCAQHSXFKYHK-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]Cc2cccc(F)c2)CCC1 ZINC001178688559 1386277777 /nfs/dbraw/zinc/27/77/77/1386277777.db2.gz MELIDERVZRYFEN-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178705111 1386284245 /nfs/dbraw/zinc/28/42/45/1386284245.db2.gz FAUTXEKBYLBIJR-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1F ZINC001319763891 1386285599 /nfs/dbraw/zinc/28/55/99/1386285599.db2.gz VREIDVYWRGEGDU-QGZVFWFLSA-N 2 0 341.474 3.424 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC001178815928 1386316073 /nfs/dbraw/zinc/31/60/73/1386316073.db2.gz OQBMZJRFCKLVRS-HXUWFJFHSA-N 2 0 347.547 3.410 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178890022 1386339449 /nfs/dbraw/zinc/33/94/49/1386339449.db2.gz FOWVUAMZQHJLJI-OJUCNMNVSA-N 2 0 335.536 3.185 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178902992 1386343752 /nfs/dbraw/zinc/34/37/52/1386343752.db2.gz QNAUBVOQLQSLFE-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178921006 1386349002 /nfs/dbraw/zinc/34/90/02/1386349002.db2.gz QQMRVLMYVKWUQQ-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001178943334 1386356757 /nfs/dbraw/zinc/35/67/57/1386356757.db2.gz VUPCLXRKEWWCRC-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179233786 1386427453 /nfs/dbraw/zinc/42/74/53/1386427453.db2.gz CFXKDKYWFQECKG-YTQUADARSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cccnc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001319991465 1386440341 /nfs/dbraw/zinc/44/03/41/1386440341.db2.gz AJARZXLZPOVTAN-HDICACEKSA-N 2 0 339.483 3.289 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001179461540 1386487888 /nfs/dbraw/zinc/48/78/88/1386487888.db2.gz PBCLBDFHSMQYCN-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179499606 1386500205 /nfs/dbraw/zinc/50/02/05/1386500205.db2.gz YLKRCAPNXBDBHM-HXUWFJFHSA-N 2 0 347.547 3.347 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546472 1386511180 /nfs/dbraw/zinc/51/11/80/1386511180.db2.gz QQFDJUVNQYIHEQ-VUOWKATKSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001179746439 1386571122 /nfs/dbraw/zinc/57/11/22/1386571122.db2.gz UKDQKTZQPGCHBL-GOSISDBHSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H]1C ZINC001179860906 1386609833 /nfs/dbraw/zinc/60/98/33/1386609833.db2.gz AVNVZJOESRUKSS-FBAPOHRVSA-N 2 0 343.515 3.011 20 0 EGADRP CC1CC[NH+](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC1 ZINC001179892052 1386619857 /nfs/dbraw/zinc/61/98/57/1386619857.db2.gz PPNJFWWPWZACLT-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)[C@@H]1C ZINC001179907685 1386624570 /nfs/dbraw/zinc/62/45/70/1386624570.db2.gz BNSWGLANVLAPPA-CJWPDFJNSA-N 2 0 343.943 3.220 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1ccccc1F ZINC001179958560 1386647580 /nfs/dbraw/zinc/64/75/80/1386647580.db2.gz DDVOSMSHQSDDPU-GJYPPUQNSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)[C@@H]1C ZINC001179978433 1386656429 /nfs/dbraw/zinc/65/64/29/1386656429.db2.gz ADDGAOBLMGJNAJ-BJLQDIEVSA-N 2 0 345.531 3.367 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179983241 1386658116 /nfs/dbraw/zinc/65/81/16/1386658116.db2.gz QMONABDJEOMRSI-BJLQDIEVSA-N 2 0 345.531 3.285 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H]1C ZINC001179987467 1386659209 /nfs/dbraw/zinc/65/92/09/1386659209.db2.gz YCKKXACXFOPLTP-FBAPOHRVSA-N 2 0 343.515 3.011 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C1 ZINC001180065414 1386685400 /nfs/dbraw/zinc/68/54/00/1386685400.db2.gz QNCKEJHALCVWMF-ZJJGVRJWSA-N 2 0 343.943 3.126 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)CS1 ZINC001320719004 1386700621 /nfs/dbraw/zinc/70/06/21/1386700621.db2.gz KQKCGUJDMUPNKG-UXHICEINSA-N 2 0 347.572 3.054 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001180165553 1386719372 /nfs/dbraw/zinc/71/93/72/1386719372.db2.gz OMFDOUSOGUIDGB-NRFANRHFSA-N 2 0 349.563 3.319 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204425 1386731734 /nfs/dbraw/zinc/73/17/34/1386731734.db2.gz RELCAGHWEXUYSH-WLMAVBAVSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC001180264966 1386750075 /nfs/dbraw/zinc/75/00/75/1386750075.db2.gz LQKVCILMGNIAEI-WMZOPIPTSA-N 2 0 349.494 3.105 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001180264820 1386750511 /nfs/dbraw/zinc/75/05/11/1386750511.db2.gz LJVWOZNCFBMCSG-AZUAARDMSA-N 2 0 345.531 3.274 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC001180278859 1386753789 /nfs/dbraw/zinc/75/37/89/1386753789.db2.gz QGVWBOVCIZAQNG-QGZVFWFLSA-N 2 0 349.494 3.249 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180372851 1386777883 /nfs/dbraw/zinc/77/78/83/1386777883.db2.gz IRKNQXSMVXXLMQ-LJQANCHMSA-N 2 0 337.552 3.339 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCN(CCCc3ccccc3)CC2)CC1 ZINC001180489070 1386813663 /nfs/dbraw/zinc/81/36/63/1386813663.db2.gz VUQIRHCZBCVDLY-UHFFFAOYSA-N 2 0 343.559 3.359 20 0 EGADRP CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181468240 1386999092 /nfs/dbraw/zinc/99/90/92/1386999092.db2.gz TUDZOIKEQBHONI-LVCYWYKZSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467674 1386999588 /nfs/dbraw/zinc/99/95/88/1386999588.db2.gz AIKKMNFPZZSTTI-LVCYWYKZSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001321937498 1387013531 /nfs/dbraw/zinc/01/35/31/1387013531.db2.gz LNHJCTFIINGWMS-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001181994945 1387090473 /nfs/dbraw/zinc/09/04/73/1387090473.db2.gz CESATMGMGZIZFM-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322245115 1387118225 /nfs/dbraw/zinc/11/82/25/1387118225.db2.gz TXONASAQLWWWOC-LVMGUKCRSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322268687 1387129826 /nfs/dbraw/zinc/12/98/26/1387129826.db2.gz GFJHPJPTIUSLDI-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001182402045 1387160841 /nfs/dbraw/zinc/16/08/41/1387160841.db2.gz RBKXGXOPVPXKTR-NREOILKTSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001182401714 1387160995 /nfs/dbraw/zinc/16/09/95/1387160995.db2.gz LDCBAAMVVDVPTD-OXQOHEQNSA-N 2 0 349.519 3.075 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182590779 1387193080 /nfs/dbraw/zinc/19/30/80/1387193080.db2.gz SZTHSBKAOLUIJR-IFEVLTCRSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614185 1387196640 /nfs/dbraw/zinc/19/66/40/1387196640.db2.gz FJPVQASJUDSSDB-YCIUYBBHSA-N 2 0 349.563 3.291 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)o1 ZINC001322643479 1387218363 /nfs/dbraw/zinc/21/83/63/1387218363.db2.gz PIKIUZJOHAMLKJ-INIZCTEOSA-N 2 0 327.472 3.445 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001329472319 1389120530 /nfs/dbraw/zinc/12/05/30/1389120530.db2.gz OMUPHKHEVMWSAI-UZLBHIALSA-N 2 0 345.531 3.087 20 0 EGADRP C[NH+]1CCC(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001336707081 1389141309 /nfs/dbraw/zinc/14/13/09/1389141309.db2.gz GHIBCYJJDACECC-UHFFFAOYSA-N 2 0 336.907 3.320 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001329549522 1389152108 /nfs/dbraw/zinc/15/21/08/1389152108.db2.gz JZMRJTIHAMZUFK-ZWKOTPCHSA-N 2 0 347.547 3.470 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001698715911 1406359598 /nfs/dbraw/zinc/35/95/98/1406359598.db2.gz BLHVCVYAVSILOS-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336890028 1389197435 /nfs/dbraw/zinc/19/74/35/1389197435.db2.gz ZOXYNNZJADBABQ-WAOWUJCRSA-N 2 0 338.499 3.343 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H](C)C[C@H]2n2cncn2)CC1 ZINC001330354869 1389395898 /nfs/dbraw/zinc/39/58/98/1389395898.db2.gz QEYVVHGUKIRFKG-NZSAHSFTSA-N 2 0 333.524 3.108 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1C(F)(F)F ZINC001331475874 1389764028 /nfs/dbraw/zinc/76/40/28/1389764028.db2.gz SNUWHVVBKJHEOE-GFCCVEGCSA-N 2 0 343.393 3.095 20 0 EGADRP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCCCCC1 ZINC001331575251 1389807769 /nfs/dbraw/zinc/80/77/69/1389807769.db2.gz DYVBDVQLJSWLHI-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001332184739 1390027904 /nfs/dbraw/zinc/02/79/04/1390027904.db2.gz KQNMOPUTMNINNK-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C)[C@@H]1C ZINC001332220462 1390052502 /nfs/dbraw/zinc/05/25/02/1390052502.db2.gz UDEKPFDDGPUVJD-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001332221082 1390053219 /nfs/dbraw/zinc/05/32/19/1390053219.db2.gz WUGMKKGKFUDSJW-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP c1csc(CC[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC001332391232 1390104306 /nfs/dbraw/zinc/10/43/06/1390104306.db2.gz TTWAWFLNLWSBEH-JJTKIYQPSA-N 2 0 327.497 3.186 20 0 EGADRP Clc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332396873 1390105142 /nfs/dbraw/zinc/10/51/42/1390105142.db2.gz RJVACJGQQIYUDK-RDTXWAMCSA-N 2 0 334.891 3.466 20 0 EGADRP CCCc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001333141426 1390255967 /nfs/dbraw/zinc/25/59/67/1390255967.db2.gz OPYDBKIMNRMSGM-MHJFOBGBSA-N 2 0 345.531 3.058 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@H]2C1 ZINC001333841085 1390420205 /nfs/dbraw/zinc/42/02/05/1390420205.db2.gz KGFFVTWZNKHWBO-QEUVDIPISA-N 2 0 327.516 3.175 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(-c2cccs2)n1 ZINC001335132978 1390646402 /nfs/dbraw/zinc/64/64/02/1390646402.db2.gz AEVVSDUZOCUJPY-BFYDXBDKSA-N 2 0 344.528 3.311 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cccnc2)c1 ZINC001335400858 1390679898 /nfs/dbraw/zinc/67/98/98/1390679898.db2.gz UYAISQSBBYXXHU-UHFFFAOYSA-N 2 0 340.471 3.040 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cn1 ZINC001343334281 1390707998 /nfs/dbraw/zinc/70/79/98/1390707998.db2.gz RTLBMUVLGIHGEO-IPMKNSEASA-N 2 0 330.520 3.088 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H](n2cncn2)C1 ZINC001343916171 1390744094 /nfs/dbraw/zinc/74/40/94/1390744094.db2.gz LKBLVIXOHPMIPM-RDLPGAODSA-N 2 0 345.535 3.395 20 0 EGADRP COc1ccc(C[C@@H](C)[N@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC001345204849 1390847674 /nfs/dbraw/zinc/84/76/74/1390847674.db2.gz PLERSDZAHJGROZ-APWZRJJASA-N 2 0 342.483 3.309 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1)c1ccccc1 ZINC001698804522 1406484326 /nfs/dbraw/zinc/48/43/26/1406484326.db2.gz KHZCTGWAQQTMHW-QZTJIDSGSA-N 2 0 343.515 3.108 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC001348514747 1391231283 /nfs/dbraw/zinc/23/12/83/1391231283.db2.gz GQTNKKCYGAHSMY-AWEZNQCLSA-N 2 0 334.485 3.423 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC3CC(C)C3)CCCC2)CC1 ZINC001698807405 1406490635 /nfs/dbraw/zinc/49/06/35/1406490635.db2.gz NCAFFGPTRHBLNB-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1 ZINC001349390533 1391326466 /nfs/dbraw/zinc/32/64/66/1391326466.db2.gz YDTCOLMARITVDQ-UHFFFAOYSA-N 2 0 335.879 3.134 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001488793097 1391723354 /nfs/dbraw/zinc/72/33/54/1391723354.db2.gz SZZLVYLMXZBQEM-FGTMMUONSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC001352036024 1391749138 /nfs/dbraw/zinc/74/91/38/1391749138.db2.gz WHFKKANTGDVCKR-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnnn1C ZINC001354257339 1392133510 /nfs/dbraw/zinc/13/35/10/1392133510.db2.gz PKVYOVPMIBREIN-BPIHKTFHSA-N 2 0 339.487 3.051 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001479894012 1392463270 /nfs/dbraw/zinc/46/32/70/1392463270.db2.gz DQPGFCJRYSSJNQ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001479911297 1392479403 /nfs/dbraw/zinc/47/94/03/1392479403.db2.gz AIUCOKQBUBNNTN-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001480349010 1392699081 /nfs/dbraw/zinc/69/90/81/1392699081.db2.gz BWIHZIAVKRGAKY-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC1CC1)CC(C)(C)C ZINC001480373855 1392716869 /nfs/dbraw/zinc/71/68/69/1392716869.db2.gz SXBMFZKYYNUVNK-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001480410588 1392746629 /nfs/dbraw/zinc/74/66/29/1392746629.db2.gz OTPHDAFDELHTJI-UHFFFAOYSA-N 2 0 349.494 3.075 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001480739537 1392904671 /nfs/dbraw/zinc/90/46/71/1392904671.db2.gz QXNWYYDEJCCHKO-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001480798724 1392940718 /nfs/dbraw/zinc/94/07/18/1392940718.db2.gz KHZRZRDAPVTXQH-MOPGFXCFSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001480806302 1392946254 /nfs/dbraw/zinc/94/62/54/1392946254.db2.gz ZPPQNESTSVUYCY-FUHWJXTLSA-N 2 0 339.568 3.273 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480864513 1392987898 /nfs/dbraw/zinc/98/78/98/1392987898.db2.gz RFRMIFQPKFJZTI-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480975691 1393060712 /nfs/dbraw/zinc/06/07/12/1393060712.db2.gz DQOLOGAIOYIAHD-LZQZEXGQSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001481299104 1393160159 /nfs/dbraw/zinc/16/01/59/1393160159.db2.gz XMHAAJLLWFSDBB-INIZCTEOSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001698884397 1406616682 /nfs/dbraw/zinc/61/66/82/1406616682.db2.gz LQYKYPHXKWGGAP-LJQANCHMSA-N 2 0 337.552 3.029 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001490611659 1394281600 /nfs/dbraw/zinc/28/16/00/1394281600.db2.gz YOXVIHMVXJNSDX-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001490949357 1394382681 /nfs/dbraw/zinc/38/26/81/1394382681.db2.gz GWWAFXLONDJLNM-UFYCRDLUSA-N 2 0 345.531 3.133 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491110059 1394431222 /nfs/dbraw/zinc/43/12/22/1394431222.db2.gz CQDMLNPQNGMVBA-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)NCC1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001481648545 1394431696 /nfs/dbraw/zinc/43/16/96/1394431696.db2.gz UXSUQVMFZVXPGC-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001481773451 1394518377 /nfs/dbraw/zinc/51/83/77/1394518377.db2.gz VNWRPMRWGNIKBC-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H](C[NH2+]Cc1cccc2ccccc21)N(C)C(=O)CCC[NH+](C)C ZINC001482322525 1394893020 /nfs/dbraw/zinc/89/30/20/1394893020.db2.gz GATQMWZNUVVRGP-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP Cc1c(C(=O)N[C@@H](C[NH2+]CC2CCC2)CC(C)C)ccc2c[nH+]cn21 ZINC001482387942 1394948254 /nfs/dbraw/zinc/94/82/54/1394948254.db2.gz URCQDKSFYPBQTM-QGZVFWFLSA-N 2 0 342.487 3.177 20 0 EGADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1ccccc1 ZINC001482565036 1395091090 /nfs/dbraw/zinc/09/10/90/1395091090.db2.gz ZPCMJEACCIINMU-FQEVSTJZSA-N 2 0 345.531 3.037 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001484059273 1395222206 /nfs/dbraw/zinc/22/22/06/1395222206.db2.gz QMKQHCGHWQKDLB-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001484137357 1395273792 /nfs/dbraw/zinc/27/37/92/1395273792.db2.gz NZMNNTUYFDSTQT-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCCCC1 ZINC001698978592 1406750808 /nfs/dbraw/zinc/75/08/08/1406750808.db2.gz WAYAZDWPKUVMCY-LJQANCHMSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2C)C1)[NH+](C)C ZINC001484168707 1395307267 /nfs/dbraw/zinc/30/72/67/1395307267.db2.gz OXVUFSBGOUTSFC-PZJWPPBQSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484534811 1395420311 /nfs/dbraw/zinc/42/03/11/1395420311.db2.gz AEUBBKBLMLLWQW-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001484886504 1395585090 /nfs/dbraw/zinc/58/50/90/1395585090.db2.gz DLEGRPHBLDZNFR-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001484977059 1395616761 /nfs/dbraw/zinc/61/67/61/1395616761.db2.gz PNRMMYWQSQUUAV-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001484985027 1395626863 /nfs/dbraw/zinc/62/68/63/1395626863.db2.gz AWBVNGYMNLIETH-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001484985029 1395626994 /nfs/dbraw/zinc/62/69/94/1395626994.db2.gz AWBVNGYMNLIETH-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001485509040 1395988105 /nfs/dbraw/zinc/98/81/05/1395988105.db2.gz KWDHTFIZLVMJPI-JXFKEZNVSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)CC2CCCCCC2)CC1 ZINC001485763930 1396139791 /nfs/dbraw/zinc/13/97/91/1396139791.db2.gz XSHHRABXEDVEEX-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)CCC[NH+]3CCCCC3)cc2C1 ZINC001502653661 1396213952 /nfs/dbraw/zinc/21/39/52/1396213952.db2.gz MRMIJBLEZZDSTB-UHFFFAOYSA-N 2 0 343.515 3.293 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@H+](C)CC3CCC3)C2)CCCCC1 ZINC001494147381 1396384573 /nfs/dbraw/zinc/38/45/73/1396384573.db2.gz LJGLWTCMJDITKR-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001494293971 1396421746 /nfs/dbraw/zinc/42/17/46/1396421746.db2.gz AWJNSGCHFGUMDA-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1c(C)cccc1C ZINC001699010800 1406840412 /nfs/dbraw/zinc/84/04/12/1406840412.db2.gz GORXINUYYMVNRZ-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001690453183 1404579547 /nfs/dbraw/zinc/57/95/47/1404579547.db2.gz SZMKYYSBHJOBQM-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690501383 1404613749 /nfs/dbraw/zinc/61/37/49/1404613749.db2.gz KKNCJUIADVLAAZ-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001690542922 1404627710 /nfs/dbraw/zinc/62/77/10/1404627710.db2.gz HZZXSMZDJNLEBN-VNCLNFNDSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001690542921 1404627733 /nfs/dbraw/zinc/62/77/33/1404627733.db2.gz HZZXSMZDJNLEBN-MNNVXMFVSA-N 2 0 349.494 3.246 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001690752161 1404708940 /nfs/dbraw/zinc/70/89/40/1404708940.db2.gz ZNIOQCCLHCIMIA-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CCCCCC1 ZINC001690941559 1404847576 /nfs/dbraw/zinc/84/75/76/1404847576.db2.gz HWEMIJPKFLTBMH-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001690947323 1404856503 /nfs/dbraw/zinc/85/65/03/1404856503.db2.gz KYCZXTLXLFXTPV-YLJYHZDGSA-N 2 0 343.515 3.203 20 0 EGADRP CCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)Cc1ccccc1F ZINC001691043387 1404954655 /nfs/dbraw/zinc/95/46/55/1404954655.db2.gz JGLYVFVONOFXRC-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1cccc(C)c1 ZINC001691045252 1404957476 /nfs/dbraw/zinc/95/74/76/1404957476.db2.gz ZPLQEJLEGDMCGC-LJQANCHMSA-N 2 0 345.531 3.226 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001691163315 1405098356 /nfs/dbraw/zinc/09/83/56/1405098356.db2.gz SXNRXFYEFUCONF-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001691209038 1405149633 /nfs/dbraw/zinc/14/96/33/1405149633.db2.gz ORTYFHDZKZZNKE-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001691403264 1405241483 /nfs/dbraw/zinc/24/14/83/1405241483.db2.gz ZAFAEZXAVPZSLA-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)CC1CCCCC1 ZINC001691999527 1405714760 /nfs/dbraw/zinc/71/47/60/1405714760.db2.gz UBVVZMZBVUAFLE-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001692101325 1405771957 /nfs/dbraw/zinc/77/19/57/1405771957.db2.gz CTPPEULVSQJVTD-OAHAVBBTSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001692343873 1405962927 /nfs/dbraw/zinc/96/29/27/1405962927.db2.gz IJFKMWWQMQUUFY-QGZVFWFLSA-N 2 0 345.531 3.261 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001698553169 1406150778 /nfs/dbraw/zinc/15/07/78/1406150778.db2.gz UKXBPSIVKSWILV-LJQANCHMSA-N 2 0 345.531 3.016 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001732040820 1428269133 /nfs/dbraw/zinc/26/91/33/1428269133.db2.gz AHXSLSOLFVRTHA-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001732090258 1428354926 /nfs/dbraw/zinc/35/49/26/1428354926.db2.gz GWLSAQLJDNJJIY-UYAOXDASSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001732214350 1428462220 /nfs/dbraw/zinc/46/22/20/1428462220.db2.gz VGRDGNNOBBTIEM-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP CC(C)C[NH2+]C[C@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001732262311 1428502824 /nfs/dbraw/zinc/50/28/24/1428502824.db2.gz ROHZYJOCGYFMDZ-AZUAARDMSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[NH+]1CCC(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001732324543 1428533437 /nfs/dbraw/zinc/53/34/37/1428533437.db2.gz LPJSYQMLGUTOAI-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001699415253 1412729277 /nfs/dbraw/zinc/72/92/77/1412729277.db2.gz JEMGQVJPGUDBJW-RZQQEMMASA-N 2 0 339.483 3.089 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCC[NH+]1CCCC1 ZINC001699433763 1412752953 /nfs/dbraw/zinc/75/29/53/1412752953.db2.gz ZFQJEGZJIGFHDZ-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CC2)CC1 ZINC001699664432 1413049984 /nfs/dbraw/zinc/04/99/84/1413049984.db2.gz HODQMSJPWXQCBU-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001699676537 1413070650 /nfs/dbraw/zinc/07/06/50/1413070650.db2.gz UWMAIXSWAYBBBN-SFHVURJKSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001699682952 1413077146 /nfs/dbraw/zinc/07/71/46/1413077146.db2.gz CQIDUVBMYZYRDJ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001699828169 1413256155 /nfs/dbraw/zinc/25/61/55/1413256155.db2.gz YWJZBKWGILNAEI-UZLBHIALSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001700197457 1413639235 /nfs/dbraw/zinc/63/92/35/1413639235.db2.gz KPUXHELCFAXGHX-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)c1 ZINC001732555781 1428743196 /nfs/dbraw/zinc/74/31/96/1428743196.db2.gz CCVSRRRAUKHPRS-IBGZPJMESA-N 2 0 345.531 3.018 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)C1 ZINC001700293944 1413752241 /nfs/dbraw/zinc/75/22/41/1413752241.db2.gz LOCXDPQKDXLKCI-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC1(C)C ZINC001700294643 1413754399 /nfs/dbraw/zinc/75/43/99/1413754399.db2.gz ZPFLZXZHSUSZIK-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001700320783 1413785645 /nfs/dbraw/zinc/78/56/45/1413785645.db2.gz ROSYKNBPVWMQKG-OALUTQOASA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C)[NH+](C)C ZINC001700363047 1413880288 /nfs/dbraw/zinc/88/02/88/1413880288.db2.gz IKNXLAIXDVAUJM-MSOLQXFVSA-N 2 0 339.568 3.322 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700479883 1414113643 /nfs/dbraw/zinc/11/36/43/1414113643.db2.gz CTQHNKJOFVCUOL-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700482238 1414121129 /nfs/dbraw/zinc/12/11/29/1414121129.db2.gz XRRPWMXFGBIQOX-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001700537854 1414204861 /nfs/dbraw/zinc/20/48/61/1414204861.db2.gz HZRIZGVNKOBJON-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001732585040 1428797296 /nfs/dbraw/zinc/79/72/96/1428797296.db2.gz SEWAIPNZKXUSOC-FQEVSTJZSA-N 2 0 345.531 3.040 20 0 EGADRP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCC1 ZINC001700890982 1414550243 /nfs/dbraw/zinc/55/02/43/1414550243.db2.gz XZLGVLFJWASBHM-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732774509 1428961852 /nfs/dbraw/zinc/96/18/52/1428961852.db2.gz GAZJNRWIBALLLR-APWZRJJASA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001732977253 1429103689 /nfs/dbraw/zinc/10/36/89/1429103689.db2.gz YGUMQYCSYSPJCU-HZPDHXFCSA-N 2 0 349.494 3.101 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001733024223 1429143597 /nfs/dbraw/zinc/14/35/97/1429143597.db2.gz LGACKLZTFVPHHC-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001733053668 1429194541 /nfs/dbraw/zinc/19/45/41/1429194541.db2.gz SJMGDGRZDRYOTP-QZTJIDSGSA-N 2 0 347.547 3.470 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001713135688 1417716068 /nfs/dbraw/zinc/71/60/68/1417716068.db2.gz OQGRKUSPBDPJJA-IBGZPJMESA-N 2 0 345.531 3.007 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001713310982 1417935669 /nfs/dbraw/zinc/93/56/69/1417935669.db2.gz GRTHJVCGYNNPOX-HZPDHXFCSA-N 2 0 349.494 3.246 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cccc(C)c1 ZINC001713546694 1418318441 /nfs/dbraw/zinc/31/84/41/1418318441.db2.gz VPIYMLJDXVTTFL-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1)C1CCCCC1 ZINC001713826197 1418625868 /nfs/dbraw/zinc/62/58/68/1418625868.db2.gz BKIRNPCXZIHITD-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001714022864 1418806349 /nfs/dbraw/zinc/80/63/49/1418806349.db2.gz WZQZLEPXNSSEBB-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001714085931 1418879693 /nfs/dbraw/zinc/87/96/93/1418879693.db2.gz FQDLBVCMKFEFCI-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001714134195 1418936848 /nfs/dbraw/zinc/93/68/48/1418936848.db2.gz BTQBNMYKPUIFEQ-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001714140024 1418942311 /nfs/dbraw/zinc/94/23/11/1418942311.db2.gz RZYUJRKHVWRGNE-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C[NH2+]C[C@H](C)CC)CCCC2)C1 ZINC001714140713 1418943311 /nfs/dbraw/zinc/94/33/11/1418943311.db2.gz TWIXFBFRHJMDBD-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001714416920 1419154097 /nfs/dbraw/zinc/15/40/97/1419154097.db2.gz GJNCEQAWEMPBNL-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001714454765 1419187102 /nfs/dbraw/zinc/18/71/02/1419187102.db2.gz UYUYWBXRYCPEOZ-IAGOWNOFSA-N 2 0 349.494 3.105 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001714546554 1419272870 /nfs/dbraw/zinc/27/28/70/1419272870.db2.gz KSCOLQGTUPXAGI-HXUWFJFHSA-N 2 0 345.531 3.034 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C2CCC2)cc1 ZINC001714549109 1419275610 /nfs/dbraw/zinc/27/56/10/1419275610.db2.gz ZWHNWUPIRVIZHJ-QGZVFWFLSA-N 2 0 345.531 3.403 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001714572306 1419306057 /nfs/dbraw/zinc/30/60/57/1419306057.db2.gz NZCABLKENJFUAR-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCCC1 ZINC001714607032 1419365191 /nfs/dbraw/zinc/36/51/91/1419365191.db2.gz KSONEVLQFLCGFU-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001714664806 1419452643 /nfs/dbraw/zinc/45/26/43/1419452643.db2.gz GGZAEKXTBRNOFL-QGZVFWFLSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001714672277 1419462940 /nfs/dbraw/zinc/46/29/40/1419462940.db2.gz ZQZLONOHMSBQLZ-AEFFLSMTSA-N 2 0 339.568 3.226 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001714675240 1419467314 /nfs/dbraw/zinc/46/73/14/1419467314.db2.gz KHWPEBRXZZQYJH-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccccc1Cl ZINC001714741937 1419489971 /nfs/dbraw/zinc/48/99/71/1419489971.db2.gz DQAYUXMHGZEWHM-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001714835820 1419547684 /nfs/dbraw/zinc/54/76/84/1419547684.db2.gz ZQZLONOHMSBQLZ-FUHWJXTLSA-N 2 0 339.568 3.226 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1ccccc1F ZINC001715082464 1419819286 /nfs/dbraw/zinc/81/92/86/1419819286.db2.gz IWLPVWAAFLLKJF-SJORKVTESA-N 2 0 349.494 3.103 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715326895 1420033739 /nfs/dbraw/zinc/03/37/39/1420033739.db2.gz GBZXEDCOWUIGAU-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001715472104 1420151351 /nfs/dbraw/zinc/15/13/51/1420151351.db2.gz UNGUUPNTCNLLDO-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C)c1 ZINC001715492563 1420173996 /nfs/dbraw/zinc/17/39/96/1420173996.db2.gz QPFKQTYMJNSEPW-PMACEKPBSA-N 2 0 347.547 3.120 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1CCCC1 ZINC001715526366 1420215335 /nfs/dbraw/zinc/21/53/35/1420215335.db2.gz YDJCUZIURZGCJI-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001715990089 1420446019 /nfs/dbraw/zinc/44/60/19/1420446019.db2.gz PXRQTFPDBPDZFE-FRQCXROJSA-N 2 0 345.531 3.234 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001716014097 1420467554 /nfs/dbraw/zinc/46/75/54/1420467554.db2.gz PPSYXDOGRUSKLZ-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031997 1420491138 /nfs/dbraw/zinc/49/11/38/1420491138.db2.gz VNTBSTYIPSMQSA-ROUUACIJSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001716424723 1420652279 /nfs/dbraw/zinc/65/22/79/1420652279.db2.gz REFIZDZIBFTWRV-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001716500827 1420727237 /nfs/dbraw/zinc/72/72/37/1420727237.db2.gz KYJWLVXBLICHMK-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001716799269 1420932236 /nfs/dbraw/zinc/93/22/36/1420932236.db2.gz BNGCKADKJCTUCK-QGZVFWFLSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001716843510 1420970044 /nfs/dbraw/zinc/97/00/44/1420970044.db2.gz OBTHXPWZMIUMOE-UWJYYQICSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1cccc(F)c1 ZINC001717145256 1421138083 /nfs/dbraw/zinc/13/80/83/1421138083.db2.gz UPGFSTBWUVAKDF-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001717270393 1421227016 /nfs/dbraw/zinc/22/70/16/1421227016.db2.gz WDHQXBSTEOOMPM-INIZCTEOSA-N 2 0 343.515 3.149 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC1(C)C)[NH+](C)C ZINC001717310874 1421254810 /nfs/dbraw/zinc/25/48/10/1421254810.db2.gz PQHNUVDJWBNGNS-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001717338918 1421276364 /nfs/dbraw/zinc/27/63/64/1421276364.db2.gz FJEHZTGAHLANCT-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCC1 ZINC001717539946 1421479842 /nfs/dbraw/zinc/47/98/42/1421479842.db2.gz GBNLKBAKHIZANY-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)[C@@H]1C ZINC001717859650 1421671737 /nfs/dbraw/zinc/67/17/37/1421671737.db2.gz CSRDBDCZWZLLFX-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@]2(C1)CCC[NH+](CCC1CC1)C2)CC(C)(C)C ZINC001723691253 1424531848 /nfs/dbraw/zinc/53/18/48/1424531848.db2.gz OJCKRMKMHGJAKI-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[C@H]1C ZINC001723877245 1424595929 /nfs/dbraw/zinc/59/59/29/1424595929.db2.gz TYRPHLXQQKOLLP-YGQKLEOUSA-N 2 0 343.515 3.011 20 0 EGADRP C[N@H+](CC(=O)NC[C@]1(C)CCC[NH+](CC2CCCCC2)C1)C1CCC1 ZINC001724322834 1424809455 /nfs/dbraw/zinc/80/94/55/1424809455.db2.gz HNIUOMMNSNPPMR-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001724616559 1424965053 /nfs/dbraw/zinc/96/50/53/1424965053.db2.gz FQWRYIDRTDRKNR-HXUWFJFHSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724850465 1425212352 /nfs/dbraw/zinc/21/23/52/1425212352.db2.gz FQUXYNBTNVTQLO-QGZVFWFLSA-N 2 0 331.504 3.012 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)Cc3c[nH]cn3)cc2C1 ZINC001724924175 1425314411 /nfs/dbraw/zinc/31/44/11/1425314411.db2.gz VNPHJCNHHCBTMU-OAHLLOKOSA-N 2 0 340.471 3.020 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001725003066 1425413351 /nfs/dbraw/zinc/41/33/51/1425413351.db2.gz NFORVTMBAWZDEI-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CCCC(C)(C)C ZINC001725193687 1425743678 /nfs/dbraw/zinc/74/36/78/1425743678.db2.gz HCHZKMJZMYJSIO-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCC2CCC2)CC1 ZINC001725421400 1426070873 /nfs/dbraw/zinc/07/08/73/1426070873.db2.gz URLVPUGVOSXNPN-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001725585276 1426240105 /nfs/dbraw/zinc/24/01/05/1426240105.db2.gz GZXXDKBHUFYYAV-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731363736 1427297663 /nfs/dbraw/zinc/29/76/63/1427297663.db2.gz MCAUBCIHJUPZCR-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001731384589 1427327265 /nfs/dbraw/zinc/32/72/65/1427327265.db2.gz DNQBZWWZWIUREF-MJGOQNOKSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](CNC(=O)C[N@H+](C)C2CCC2)C2CC2)c1 ZINC001731396882 1427353279 /nfs/dbraw/zinc/35/32/79/1427353279.db2.gz NBRSSOWSZFXVBB-OXJNMPFZSA-N 2 0 343.515 3.025 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCCC2)CCC1 ZINC001731829310 1428036245 /nfs/dbraw/zinc/03/62/45/1428036245.db2.gz PEWUHLDJMVRMJT-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001731855547 1428088770 /nfs/dbraw/zinc/08/87/70/1428088770.db2.gz NWUUPOPWSNVXFH-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001733599539 1429800955 /nfs/dbraw/zinc/80/09/55/1429800955.db2.gz OBMZDWRWKSTJCT-QRVBRYPASA-N 2 0 337.552 3.218 20 0 EGADRP CCC1([NH2+]Cc2ccccc2)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001733804488 1430073629 /nfs/dbraw/zinc/07/36/29/1430073629.db2.gz CFOKNUKGDTYXKV-LJQANCHMSA-N 2 0 345.531 3.134 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)CC1(C)C ZINC001733875946 1437703049 /nfs/dbraw/zinc/70/30/49/1437703049.db2.gz QCZHLEKGPFZOAL-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CCCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001734019975 1437809070 /nfs/dbraw/zinc/80/90/70/1437809070.db2.gz JRARHNGBHJLERS-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001752309168 1440169363 /nfs/dbraw/zinc/16/93/63/1440169363.db2.gz WUNBEELLQURLPG-UHFFFAOYSA-N 2 0 339.568 3.323 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001752309954 1440169819 /nfs/dbraw/zinc/16/98/19/1440169819.db2.gz ICQHHXDDPUCELW-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CCCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001752440031 1440181070 /nfs/dbraw/zinc/18/10/70/1440181070.db2.gz SNWTWGRYJBJFGF-MJGOQNOKSA-N 2 0 335.536 3.115 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001752518596 1440191757 /nfs/dbraw/zinc/19/17/57/1440191757.db2.gz WCHLPDGRUUHBSN-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001752518595 1440191916 /nfs/dbraw/zinc/19/19/16/1440191916.db2.gz WCHLPDGRUUHBSN-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001752526415 1440193092 /nfs/dbraw/zinc/19/30/92/1440193092.db2.gz UVROEUNQDTUWHU-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC001752527671 1440193547 /nfs/dbraw/zinc/19/35/47/1440193547.db2.gz LXMRCUYHRDJDKD-RTBURBONSA-N 2 0 345.531 3.260 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001752683148 1440199795 /nfs/dbraw/zinc/19/97/95/1440199795.db2.gz UWYLOOKWPYFURH-VDGAXYAQSA-N 2 0 349.563 3.027 20 0 EGADRP C[NH+](C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)CCC1 ZINC001752695925 1440200843 /nfs/dbraw/zinc/20/08/43/1440200843.db2.gz KDTNXLLCBAMTKM-YQQQUEKLSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccsc1 ZINC001752699482 1440201608 /nfs/dbraw/zinc/20/16/08/1440201608.db2.gz YTZIKFMTACJCDK-AYHJJNSGSA-N 2 0 349.544 3.092 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001752781924 1440209233 /nfs/dbraw/zinc/20/92/33/1440209233.db2.gz ASPSOHHPDVZUTH-QGZVFWFLSA-N 2 0 342.487 3.275 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001752809550 1440216344 /nfs/dbraw/zinc/21/63/44/1440216344.db2.gz GPWDWOFATNJCMU-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1=CCCCC1 ZINC001752820074 1440219963 /nfs/dbraw/zinc/21/99/63/1440219963.db2.gz IXAPYAMCYFICRL-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001752850315 1440233452 /nfs/dbraw/zinc/23/34/52/1440233452.db2.gz BWQGHPOGVHJJHV-DAWZGUTISA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[C@H](C(=O)NC1CCC([NH2+]CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001752855042 1440234560 /nfs/dbraw/zinc/23/45/60/1440234560.db2.gz GJIIIEYHJWWGGY-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001752903494 1440243627 /nfs/dbraw/zinc/24/36/27/1440243627.db2.gz PQHLIKYBINRVLT-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752991756 1440259623 /nfs/dbraw/zinc/25/96/23/1440259623.db2.gz XSLBHCMZZFFIQF-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753000381 1440264292 /nfs/dbraw/zinc/26/42/92/1440264292.db2.gz RXXDWDRWJQQBOX-PXNSSMCTSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001753033889 1440273810 /nfs/dbraw/zinc/27/38/10/1440273810.db2.gz VJFCMPNPRMTJEO-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753049684 1440278613 /nfs/dbraw/zinc/27/86/13/1440278613.db2.gz MTIUJDUHAOSLLD-LJQANCHMSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001753091134 1440299210 /nfs/dbraw/zinc/29/92/10/1440299210.db2.gz JQTRBPVEJBZVOK-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CCC(C)(C)C ZINC001753091252 1440299374 /nfs/dbraw/zinc/29/93/74/1440299374.db2.gz OCVHPNUXQNBAPI-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1cccc(C)c1 ZINC001753115615 1440311035 /nfs/dbraw/zinc/31/10/35/1440311035.db2.gz GESOTHJSEWPUEI-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccc1CC ZINC001753145775 1440324301 /nfs/dbraw/zinc/32/43/01/1440324301.db2.gz UUYPMDUUUVTDDH-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001753278162 1440346677 /nfs/dbraw/zinc/34/66/77/1440346677.db2.gz OEGCNLMXQPREMU-KRWDZBQOSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001753331594 1440369746 /nfs/dbraw/zinc/36/97/46/1440369746.db2.gz WYTKDHBZRJMLCY-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753337336 1440373140 /nfs/dbraw/zinc/37/31/40/1440373140.db2.gz LYKACFAWMUMTLS-MOPGFXCFSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001753341232 1440375521 /nfs/dbraw/zinc/37/55/21/1440375521.db2.gz UBCBZXGTGNHTOX-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP C[NH+](CC(=O)N1CC[C@H](C[N@H+](C)CCC(C)(C)C)C1)CC(C)(C)C ZINC001753355391 1440379672 /nfs/dbraw/zinc/37/96/72/1440379672.db2.gz HOQQDSZAENUTLP-QGZVFWFLSA-N 2 0 339.568 3.181 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)CCC2=CCCCC2)CC1 ZINC001753368031 1440386597 /nfs/dbraw/zinc/38/65/97/1440386597.db2.gz UHALFPYWXCLIAK-UHFFFAOYSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753459337 1440409718 /nfs/dbraw/zinc/40/97/18/1440409718.db2.gz OUFWYLUWVUFOGQ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC1CCCC1 ZINC001753473322 1440414619 /nfs/dbraw/zinc/41/46/19/1440414619.db2.gz IPZULKAQNBNJSK-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCC(C)CC1 ZINC001753477817 1440415720 /nfs/dbraw/zinc/41/57/20/1440415720.db2.gz GLMMNCSENVEDHZ-ACBHZAAOSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001753507401 1440424943 /nfs/dbraw/zinc/42/49/43/1440424943.db2.gz VWMJPURIFNBPMN-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2(C[NH2+]CCC(C)(C)C)CCCC2)CC1 ZINC001753508776 1440425306 /nfs/dbraw/zinc/42/53/06/1440425306.db2.gz BUZPJKFYFBKBBP-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001753511840 1440426293 /nfs/dbraw/zinc/42/62/93/1440426293.db2.gz OQQJTDOTARAEHY-UHFFFAOYSA-N 2 0 349.544 3.143 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001753547829 1440434560 /nfs/dbraw/zinc/43/45/60/1440434560.db2.gz FJRFJAHLHREYJE-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001753549850 1440434733 /nfs/dbraw/zinc/43/47/33/1440434733.db2.gz FMYNBMZPCNQFHZ-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001753560815 1440436884 /nfs/dbraw/zinc/43/68/84/1440436884.db2.gz GCHHWAYSVRMHSS-RBUKOAKNSA-N 2 0 343.515 3.062 20 0 EGADRP CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001753581716 1440440335 /nfs/dbraw/zinc/44/03/35/1440440335.db2.gz YSUUGLMZYYDDTO-WKILWMFISA-N 2 0 328.460 3.073 20 0 EGADRP CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001753595372 1440444477 /nfs/dbraw/zinc/44/44/77/1440444477.db2.gz WAJVQIFYRCHRGM-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001753599106 1440445825 /nfs/dbraw/zinc/44/58/25/1440445825.db2.gz CQBFJLUZGOMKKK-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001753700424 1440468391 /nfs/dbraw/zinc/46/83/91/1440468391.db2.gz JIUZAPQVQKIEJO-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)C[N@H+](C)C(C)C ZINC001753743926 1440480291 /nfs/dbraw/zinc/48/02/91/1440480291.db2.gz XMLWJSUJUUJXCO-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCCC1 ZINC001753749983 1440482231 /nfs/dbraw/zinc/48/22/31/1440482231.db2.gz VHPIEESIFZUVMF-HXUWFJFHSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753785205 1440487981 /nfs/dbraw/zinc/48/79/81/1440487981.db2.gz SXDZORKTTVQODE-GBESFXJTSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC=C(C)C)CC1 ZINC001753820325 1440495568 /nfs/dbraw/zinc/49/55/68/1440495568.db2.gz TXKLOPHAGMRQQJ-FQEVSTJZSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001753864359 1440513347 /nfs/dbraw/zinc/51/33/47/1440513347.db2.gz ISOBKLOFICEWTJ-MOPGFXCFSA-N 2 0 339.568 3.322 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753877781 1440519851 /nfs/dbraw/zinc/51/98/51/1440519851.db2.gz JOFPMYNYJYGLDN-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754018108 1440532030 /nfs/dbraw/zinc/53/20/30/1440532030.db2.gz AOPVQDOAEWWLNL-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)sc1C ZINC001754131279 1440543626 /nfs/dbraw/zinc/54/36/26/1440543626.db2.gz ZCHMUJMADQTRBL-XFHJGTJQSA-N 2 0 349.544 3.001 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001754213370 1440551555 /nfs/dbraw/zinc/55/15/55/1440551555.db2.gz LEPZQKXRTVFXLV-QULHZPMSSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001754231479 1440554028 /nfs/dbraw/zinc/55/40/28/1440554028.db2.gz ZNESCOHFYDKUPB-JXXFODFXSA-N 2 0 341.499 3.335 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001754347861 1440590197 /nfs/dbraw/zinc/59/01/97/1440590197.db2.gz BOYSAECLVSDDKH-VQTJNVASSA-N 2 0 345.531 3.020 20 0 EGADRP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001754380597 1440593387 /nfs/dbraw/zinc/59/33/87/1440593387.db2.gz XUEWZPHFOKVSCJ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001754394034 1440594406 /nfs/dbraw/zinc/59/44/06/1440594406.db2.gz NWGDMEWCAPCZNB-QGZVFWFLSA-N 2 0 341.499 3.291 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754400813 1440595109 /nfs/dbraw/zinc/59/51/09/1440595109.db2.gz IIWXRKHQAFGXLW-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]([NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC001754405175 1440595622 /nfs/dbraw/zinc/59/56/22/1440595622.db2.gz GIXWRKNKGVKZGF-QGZVFWFLSA-N 2 0 349.494 3.057 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001754442360 1440599441 /nfs/dbraw/zinc/59/94/41/1440599441.db2.gz FSNRIVHGKZKYKQ-VQIMIIECSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CC1 ZINC001754528053 1440621687 /nfs/dbraw/zinc/62/16/87/1440621687.db2.gz ZPVMYQYNNWXDFG-QGZVFWFLSA-N 2 0 337.552 3.314 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001754534367 1440623589 /nfs/dbraw/zinc/62/35/89/1440623589.db2.gz NALRAYCJLWPIPC-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCCCC1 ZINC001754554147 1440630846 /nfs/dbraw/zinc/63/08/46/1440630846.db2.gz XQZCWTVSLYJUID-BGYRXZFFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001754558212 1440632497 /nfs/dbraw/zinc/63/24/97/1440632497.db2.gz ZRIGEVSNNKXHSL-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001754697043 1440667293 /nfs/dbraw/zinc/66/72/93/1440667293.db2.gz JNMJTMKGCPSDIO-PZJWPPBQSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[NH+]1CCC(C)(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001754719501 1440672695 /nfs/dbraw/zinc/67/26/95/1440672695.db2.gz PHRWYDBSIJJRPH-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001754721354 1440673320 /nfs/dbraw/zinc/67/33/20/1440673320.db2.gz LGGXHRFLMWPANH-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC=C(C)C)C1)[NH+](CC)CC ZINC001754730248 1440678754 /nfs/dbraw/zinc/67/87/54/1440678754.db2.gz DKSPZBWYVLKRIM-ICSRJNTNSA-N 2 0 337.552 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001754733561 1440681077 /nfs/dbraw/zinc/68/10/77/1440681077.db2.gz NBJOWUAUPITNMU-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001754835840 1440696816 /nfs/dbraw/zinc/69/68/16/1440696816.db2.gz PNEXOLNGVVOJFZ-FHWLQOOXSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001754869844 1440704580 /nfs/dbraw/zinc/70/45/80/1440704580.db2.gz QPTQOXQBRKWDGD-GBESFXJTSA-N 2 0 337.552 3.362 20 0 EGADRP C[N@H+](CCC(C)(C)C)Cc1ccccc1CNC(=O)C[NH+]1CCCC1 ZINC001754954346 1440715981 /nfs/dbraw/zinc/71/59/81/1440715981.db2.gz QXYALXYQNHBEHF-UHFFFAOYSA-N 2 0 345.531 3.267 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001754961104 1440717615 /nfs/dbraw/zinc/71/76/15/1440717615.db2.gz IHNKDNUUIGVGBB-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[NH+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001754961663 1440717793 /nfs/dbraw/zinc/71/77/93/1440717793.db2.gz BKRPRINRRLPVBY-UHFFFAOYSA-N 2 0 347.547 3.120 20 0 EGADRP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001755038197 1440735642 /nfs/dbraw/zinc/73/56/42/1440735642.db2.gz PYYQXHWJZPYNHT-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CCC1([NH2+]Cc2ccc(F)cc2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001755075089 1440748123 /nfs/dbraw/zinc/74/81/23/1440748123.db2.gz XNNJWLRQALVNLQ-UHFFFAOYSA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001755133652 1440757732 /nfs/dbraw/zinc/75/77/32/1440757732.db2.gz YDUQLAANYBDQRF-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001755181962 1440771187 /nfs/dbraw/zinc/77/11/87/1440771187.db2.gz FEVNSYLRYQARIC-HXUWFJFHSA-N 2 0 349.563 3.386 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001755262050 1440794805 /nfs/dbraw/zinc/79/48/05/1440794805.db2.gz IRSUGRHTHMJIHW-ROUUACIJSA-N 2 0 345.531 3.098 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755276144 1440799165 /nfs/dbraw/zinc/79/91/65/1440799165.db2.gz UUPDXWKRGVULIO-IPJUCJBFSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001755366907 1440835215 /nfs/dbraw/zinc/83/52/15/1440835215.db2.gz AFTLXRAYOGKREW-WWAPKCSDSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001755412561 1440847082 /nfs/dbraw/zinc/84/70/82/1440847082.db2.gz VPPUXBABCCLTLQ-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@]2(C)C[NH+](CCC3CCCC3)C[C@]2(C)C1 ZINC001755460904 1440857281 /nfs/dbraw/zinc/85/72/81/1440857281.db2.gz PCKCRHBOLMVNKX-OYRHEFFESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001755472182 1440858978 /nfs/dbraw/zinc/85/89/78/1440858978.db2.gz ONKJWKIZBNVRNF-BJLQDIEVSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1CCCCC1 ZINC001755611460 1440887385 /nfs/dbraw/zinc/88/73/85/1440887385.db2.gz PSQSLOSVZFLCCA-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755686196 1440895894 /nfs/dbraw/zinc/89/58/94/1440895894.db2.gz HTIFMJUXNKMMPP-FUHWJXTLSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001755687489 1440896219 /nfs/dbraw/zinc/89/62/19/1440896219.db2.gz YJFJADBFQDTLLD-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCCC1 ZINC001755723443 1440908328 /nfs/dbraw/zinc/90/83/28/1440908328.db2.gz PCSXTGVNRKCEQV-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001755756835 1440914131 /nfs/dbraw/zinc/91/41/31/1440914131.db2.gz HDDHCBOJKUORDR-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001755766678 1440916322 /nfs/dbraw/zinc/91/63/22/1440916322.db2.gz OXMIETBKZJQSBZ-OALUTQOASA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755822121 1440926063 /nfs/dbraw/zinc/92/60/63/1440926063.db2.gz NMPWSIBGENTOPN-MJGOQNOKSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001755826001 1440927199 /nfs/dbraw/zinc/92/71/99/1440927199.db2.gz YTUSOOVVTHOGFM-DLBZAZTESA-N 2 0 339.568 3.273 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001755830581 1440928504 /nfs/dbraw/zinc/92/85/04/1440928504.db2.gz ONCRKACGTZHZJC-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755845165 1440932986 /nfs/dbraw/zinc/93/29/86/1440932986.db2.gz ZDZRVBJQXHNBQT-DUMMIQTOSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001755846393 1440933535 /nfs/dbraw/zinc/93/35/35/1440933535.db2.gz YCOIRINBVADEJH-YLJYHZDGSA-N 2 0 345.531 3.305 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)C1CC([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001755863878 1440937324 /nfs/dbraw/zinc/93/73/24/1440937324.db2.gz OWGUFHLHTFXJKM-MHJFOBGBSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001755865962 1440937786 /nfs/dbraw/zinc/93/77/86/1440937786.db2.gz XSKKTDOOZDTVNS-CTWPCTMYSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC([NH3+])C3)CC2)nc1 ZINC001164388056 718802617 /nfs/dbraw/zinc/80/26/17/718802617.db2.gz QRXMVBSGXHCXDD-SFHVURJKSA-N 2 0 328.504 3.336 20 0 EGADRP CCN(C)c1cc(C)[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165045789 721964645 /nfs/dbraw/zinc/96/46/45/721964645.db2.gz ASDXDKCIEUNXKH-KRWDZBQOSA-N 2 0 331.508 3.086 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2OC)CC1 ZINC000053659155 214192453 /nfs/dbraw/zinc/19/24/53/214192453.db2.gz BZNAFAIAOSNYLH-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174868392 231328858 /nfs/dbraw/zinc/32/88/58/231328858.db2.gz CIUDQBSTPRADTH-GOSISDBHSA-N 2 0 332.492 3.086 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174868402 231328393 /nfs/dbraw/zinc/32/83/93/231328393.db2.gz CIUDQBSTPRADTH-SFHVURJKSA-N 2 0 332.492 3.086 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)s1 ZINC000159209431 529707019 /nfs/dbraw/zinc/70/70/19/529707019.db2.gz NIABZKAZEPAINE-OAHLLOKOSA-N 2 0 344.528 3.308 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2n1 ZINC000370637622 168521780 /nfs/dbraw/zinc/52/17/80/168521780.db2.gz VDUNWHSRVVLKFS-WMZOPIPTSA-N 2 0 338.499 3.054 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000040770242 213385015 /nfs/dbraw/zinc/38/50/15/213385015.db2.gz QPLVGYMOYKVDNB-KGLIPLIRSA-N 2 0 329.941 3.324 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000105459052 219496933 /nfs/dbraw/zinc/49/69/33/219496933.db2.gz NZIUPMKFOCYNBD-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224695 235339129 /nfs/dbraw/zinc/33/91/29/235339129.db2.gz RGMADFPOHHIJSK-ROUUACIJSA-N 2 0 337.552 3.160 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000132123905 223301991 /nfs/dbraw/zinc/30/19/91/223301991.db2.gz IYPCFLLGSSNNDJ-INIZCTEOSA-N 2 0 344.503 3.238 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000263315432 245389144 /nfs/dbraw/zinc/38/91/44/245389144.db2.gz HNXICARYMGRRMK-QFBILLFUSA-N 2 0 339.483 3.322 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000263315430 245390305 /nfs/dbraw/zinc/39/03/05/245390305.db2.gz HNXICARYMGRRMK-LPHOPBHVSA-N 2 0 339.483 3.322 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3COC4(CCCC4)O3)CC2)C1 ZINC000378424385 169118512 /nfs/dbraw/zinc/11/85/12/169118512.db2.gz DDULAFVZEUKFRY-QRQLOZEOSA-N 2 0 336.520 3.305 20 0 EGADRP COCc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587204 218152635 /nfs/dbraw/zinc/15/26/35/218152635.db2.gz XNMZGIOSZRICIR-HDICACEKSA-N 2 0 346.515 3.154 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(SC)cc1OC ZINC000093088660 218192835 /nfs/dbraw/zinc/19/28/35/218192835.db2.gz AXEWZQMUDYFNSJ-UHFFFAOYSA-N 2 0 338.517 3.199 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000095968947 218473680 /nfs/dbraw/zinc/47/36/80/218473680.db2.gz WBXKZBPKMNIZPY-CQSZACIVSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000268753799 252203503 /nfs/dbraw/zinc/20/35/03/252203503.db2.gz WEFZXPUBJAHGEW-SFHVURJKSA-N 2 0 331.504 3.050 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783745 252235161 /nfs/dbraw/zinc/23/51/61/252235161.db2.gz BPPRFDOOTSXEQH-INIZCTEOSA-N 2 0 328.456 3.226 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H]2CCCOC2)CC1 ZINC000097230653 219000548 /nfs/dbraw/zinc/00/05/48/219000548.db2.gz IRWUICBUFRGLEJ-IAGOWNOFSA-N 2 0 349.494 3.045 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000129069576 533112022 /nfs/dbraw/zinc/11/20/22/533112022.db2.gz ASKZVHBYWPIUHV-DGCLKSJQSA-N 2 0 327.266 3.250 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCCc2nc(-c3ccccc3)no2)CC1 ZINC000119607176 221358726 /nfs/dbraw/zinc/35/87/26/221358726.db2.gz POKGFOVHQDFJDO-UHFFFAOYSA-N 2 0 342.487 3.475 20 0 EGADRP CN(c1ccccc1C[N@H+](C)C[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000119773634 221398029 /nfs/dbraw/zinc/39/80/29/221398029.db2.gz HBGWSHPAROZWJG-SFHVURJKSA-N 2 0 345.531 3.075 20 0 EGADRP Cc1ncsc1C[N@H+](CCCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000328602511 258041135 /nfs/dbraw/zinc/04/11/35/258041135.db2.gz BWCUCZJILUQKBQ-SFHVURJKSA-N 2 0 329.513 3.496 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000179679340 533312622 /nfs/dbraw/zinc/31/26/22/533312622.db2.gz NCAUIFSMYUKIHO-UHFFFAOYSA-N 2 0 339.911 3.305 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132110206 533352565 /nfs/dbraw/zinc/35/25/65/533352565.db2.gz RTNRRFAOYHJTFT-CQSZACIVSA-N 2 0 332.492 3.209 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237526782 141006387 /nfs/dbraw/zinc/00/63/87/141006387.db2.gz JKBHMIIAQBUBCI-MAUKXSAKSA-N 2 0 347.528 3.095 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000246945244 141045378 /nfs/dbraw/zinc/04/53/78/141045378.db2.gz HXZRPEZEPMKSBQ-JYJNAYRXSA-N 2 0 346.544 3.014 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(OCC[NH+](C)C)c1 ZINC000246956018 141045713 /nfs/dbraw/zinc/04/57/13/141045713.db2.gz HPMRWTFYHLJKHV-KCUHQSDYSA-N 2 0 332.488 3.235 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000338017913 141074714 /nfs/dbraw/zinc/07/47/14/141074714.db2.gz XRJWHOIWVZMJBK-GOSISDBHSA-N 2 0 344.503 3.145 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338022379 141075644 /nfs/dbraw/zinc/07/56/44/141075644.db2.gz MLCKYPJPOWJJMZ-HLNWXESRSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000338043604 141079683 /nfs/dbraw/zinc/07/96/83/141079683.db2.gz JMYLYYYJIABOLP-FUHIMQAGSA-N 2 0 343.515 3.226 20 0 EGADRP CC[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000339519770 141125264 /nfs/dbraw/zinc/12/52/64/141125264.db2.gz VMFXTWYGFGLFAP-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP OC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000342812751 141150018 /nfs/dbraw/zinc/15/00/18/141150018.db2.gz MTHGDYKETPTXRH-SLFFLAALSA-N 2 0 328.500 3.182 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000344477574 141160942 /nfs/dbraw/zinc/16/09/42/141160942.db2.gz HGAHQFWBDBXCGC-UWJYYQICSA-N 2 0 341.499 3.341 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)C[C@H]1C ZINC000346447444 141196324 /nfs/dbraw/zinc/19/63/24/141196324.db2.gz RBWJBJCJWABNFI-VXGBXAGGSA-N 2 0 332.357 3.005 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1OC ZINC000347904536 141213376 /nfs/dbraw/zinc/21/33/76/141213376.db2.gz BNBWTNWIEYMQCD-IEBWSBKVSA-N 2 0 344.499 3.461 20 0 EGADRP CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350561662 141254157 /nfs/dbraw/zinc/25/41/57/141254157.db2.gz YHLHETCMOMUYOB-LEWJYISDSA-N 2 0 340.515 3.465 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)C[NH+]1CCCCC1 ZINC000353452580 141299296 /nfs/dbraw/zinc/29/92/96/141299296.db2.gz CENYBGBNQJPXAS-SJORKVTESA-N 2 0 327.476 3.040 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000356301450 141338956 /nfs/dbraw/zinc/33/89/56/141338956.db2.gz QGJUPEJLBWFCFB-CTNGQTDRSA-N 2 0 343.515 3.014 20 0 EGADRP Cc1noc(CCC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000357956936 141367322 /nfs/dbraw/zinc/36/73/22/141367322.db2.gz HUBOAEMORARWQS-MRXNPFEDSA-N 2 0 334.508 3.287 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCSCC1 ZINC000187170345 144154019 /nfs/dbraw/zinc/15/40/19/144154019.db2.gz TXDUMIXHWMOFEL-MRXNPFEDSA-N 2 0 348.556 3.265 20 0 EGADRP CC(C)COc1ccccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000351826193 144312732 /nfs/dbraw/zinc/31/27/32/144312732.db2.gz FFAUMNSBJLJLAJ-UHFFFAOYSA-N 2 0 334.504 3.264 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847579 144315836 /nfs/dbraw/zinc/31/58/36/144315836.db2.gz ANJDENXNCQPZDI-LESCRADOSA-N 2 0 349.494 3.088 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CCCO3)CC2)[C@@H](C)C1 ZINC000370063684 286058537 /nfs/dbraw/zinc/05/85/37/286058537.db2.gz RSULDVMBRPDPOG-LHQJTOJGSA-N 2 0 338.536 3.205 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000341267354 155219240 /nfs/dbraw/zinc/21/92/40/155219240.db2.gz FWHQTADZEMUZQR-AWEZNQCLSA-N 2 0 342.886 3.093 20 0 EGADRP Cc1ccc([C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000371402425 292205624 /nfs/dbraw/zinc/20/56/24/292205624.db2.gz XIGGRRUWISVVCN-TZIWHRDSSA-N 2 0 327.516 3.204 20 0 EGADRP C[NH+](C)CCN(C(=O)c1cccc(-n2ccnc2)c1)c1ccccc1 ZINC000117634911 152107950 /nfs/dbraw/zinc/10/79/50/152107950.db2.gz QCOOMUWSKIFWOK-UHFFFAOYSA-N 2 0 334.423 3.081 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120237454 152262134 /nfs/dbraw/zinc/26/21/34/152262134.db2.gz ODOOECVGEJDJGW-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP O[C@H](COc1ccccc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121729644 152367984 /nfs/dbraw/zinc/36/79/84/152367984.db2.gz GUKGQPHIVQDXEO-FQEVSTJZSA-N 2 0 346.515 3.014 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000174457956 152861621 /nfs/dbraw/zinc/86/16/21/152861621.db2.gz HRDQRNGJZRJWRI-UHFFFAOYSA-N 2 0 345.531 3.265 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000194022460 153318773 /nfs/dbraw/zinc/31/87/73/153318773.db2.gz ZWVKHCAQHBOWME-DOIPELPJSA-N 2 0 340.511 3.098 20 0 EGADRP CC1CCN(C(=[NH2+])NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000303257411 154041560 /nfs/dbraw/zinc/04/15/60/154041560.db2.gz JFUHXJPSOZSYFW-UHFFFAOYSA-N 2 0 328.504 3.429 20 0 EGADRP COC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000336667929 154208842 /nfs/dbraw/zinc/20/88/42/154208842.db2.gz ACXCCXAHNFLXOE-LHBDJYESSA-N 2 0 328.500 3.444 20 0 EGADRP COCC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336731196 154212218 /nfs/dbraw/zinc/21/22/18/154212218.db2.gz YOSGUSPKAIUYKF-PMACEKPBSA-N 2 0 328.500 3.257 20 0 EGADRP CCC[N@H+](CCCc1nc(-c2cccs2)no1)C1CC[NH2+]CC1 ZINC000336865642 154220891 /nfs/dbraw/zinc/22/08/91/154220891.db2.gz YERKYYOPVSBMOA-UHFFFAOYSA-N 2 0 334.489 3.195 20 0 EGADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000337347630 154297935 /nfs/dbraw/zinc/29/79/35/154297935.db2.gz XTOBJOINLBPOEB-KURKYZTESA-N 2 0 334.504 3.199 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000337403358 154334766 /nfs/dbraw/zinc/33/47/66/154334766.db2.gz RYYSZDQHUFFUBW-JQHSSLGASA-N 2 0 332.488 3.160 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000339935442 155040477 /nfs/dbraw/zinc/04/04/77/155040477.db2.gz HGYIGGVEFVGTOT-KRWDZBQOSA-N 2 0 348.535 3.056 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346816666 156147943 /nfs/dbraw/zinc/14/79/43/156147943.db2.gz FAQWFBWLOHARCS-CWFSZBLJSA-N 2 0 342.462 3.187 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OCC(C)C ZINC000346848899 156163626 /nfs/dbraw/zinc/16/36/26/156163626.db2.gz FOMFSRQGRWTBGJ-BZSNNMDCSA-N 2 0 332.488 3.289 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000346959048 156217438 /nfs/dbraw/zinc/21/74/38/156217438.db2.gz CUHYBKAJNIQKJM-QZTJIDSGSA-N 2 0 345.531 3.276 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347016741 156249151 /nfs/dbraw/zinc/24/91/51/156249151.db2.gz KBYIFKLLAANZFV-BBRMVZONSA-N 2 0 330.451 3.187 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)ccn1 ZINC000352767558 156473544 /nfs/dbraw/zinc/47/35/44/156473544.db2.gz MPNDXIDLFUVXMC-ONEGZZNKSA-N 2 0 347.409 3.103 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000125969979 162291169 /nfs/dbraw/zinc/29/11/69/162291169.db2.gz SZYAFEFTXKDPKB-DYXWJJEUSA-N 2 0 344.547 3.002 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000126488500 162304102 /nfs/dbraw/zinc/30/41/02/162304102.db2.gz XVAMGHSEPHSZAW-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127681708 162331174 /nfs/dbraw/zinc/33/11/74/162331174.db2.gz LPGLKEFYZBRZIE-KGLIPLIRSA-N 2 0 338.565 3.036 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000248462476 163008291 /nfs/dbraw/zinc/00/82/91/163008291.db2.gz YIXRUAXUTISQOW-MGPUTAFESA-N 2 0 328.431 3.243 20 0 EGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000248919921 163046932 /nfs/dbraw/zinc/04/69/32/163046932.db2.gz DYLLAMQNOFIDDX-HKBOAZHASA-N 2 0 329.532 3.359 20 0 EGADRP COc1ccc(OCCC[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000337074972 163122064 /nfs/dbraw/zinc/12/20/64/163122064.db2.gz PSQBGSXEXNVUGJ-NQIIRXRSSA-N 2 0 340.467 3.138 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccnn2C(C)C)CC1 ZINC000337188467 163156978 /nfs/dbraw/zinc/15/69/78/163156978.db2.gz QUIXTFNPPSYPAK-UHFFFAOYSA-N 2 0 336.524 3.034 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)c2)CC1 ZINC000343841989 164049377 /nfs/dbraw/zinc/04/93/77/164049377.db2.gz ABHUVZQSJRILDN-YLJYHZDGSA-N 2 0 343.515 3.288 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000343927918 164067759 /nfs/dbraw/zinc/06/77/59/164067759.db2.gz KBRQPNWEYPWLGZ-HXUWFJFHSA-N 2 0 343.446 3.402 20 0 EGADRP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344020004 164083495 /nfs/dbraw/zinc/08/34/95/164083495.db2.gz AFWYLHOLQFZQGF-SFHVURJKSA-N 2 0 327.463 3.231 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)cc1 ZINC000345931492 164297778 /nfs/dbraw/zinc/29/77/78/164297778.db2.gz WJAVQYPTRULLPM-QZTJIDSGSA-N 2 0 345.531 3.473 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000350143734 165010666 /nfs/dbraw/zinc/01/06/66/165010666.db2.gz AKNQHBKBQNQBHS-UHFFFAOYSA-N 2 0 329.492 3.210 20 0 EGADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)(C)C1 ZINC000350161032 165014540 /nfs/dbraw/zinc/01/45/40/165014540.db2.gz XPFJPBSXZHPWSC-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000350174572 165015628 /nfs/dbraw/zinc/01/56/28/165015628.db2.gz CUIATBSGPMZAOQ-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000350259426 165022870 /nfs/dbraw/zinc/02/28/70/165022870.db2.gz VOIUVLOIMRHHDD-GDBMZVCRSA-N 2 0 326.431 3.459 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354989836 166081480 /nfs/dbraw/zinc/08/14/80/166081480.db2.gz JEBNCIBVRJGFKA-IAGOWNOFSA-N 2 0 329.488 3.136 20 0 EGADRP Cc1[nH]nc2ncc(C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000352075683 165221738 /nfs/dbraw/zinc/22/17/38/165221738.db2.gz FILZMGXZRLZOLF-BEFAXECRSA-N 2 0 349.482 3.267 20 0 EGADRP CN1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000352091013 165229814 /nfs/dbraw/zinc/22/98/14/165229814.db2.gz CPKXCLQCWBNEHF-WIYYLYMNSA-N 2 0 338.451 3.035 20 0 EGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000355121372 166112121 /nfs/dbraw/zinc/11/21/21/166112121.db2.gz IFGDIEHYCLVWHS-PCCBWWKXSA-N 2 0 346.515 3.072 20 0 EGADRP CC[N@H+](CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C(C)C ZINC000355395082 166183859 /nfs/dbraw/zinc/18/38/59/166183859.db2.gz DMDJKQGCJZFENQ-QGZVFWFLSA-N 2 0 348.535 3.145 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000355411766 166189635 /nfs/dbraw/zinc/18/96/35/166189635.db2.gz QKBMRZFVGFFCKA-IAGOWNOFSA-N 2 0 329.488 3.136 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000355599876 166256912 /nfs/dbraw/zinc/25/69/12/166256912.db2.gz OSHFDIQZVVOWBX-NRFANRHFSA-N 2 0 345.531 3.220 20 0 EGADRP CC[NH2+][C@@H](C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000358926760 167008513 /nfs/dbraw/zinc/00/85/13/167008513.db2.gz CHHATOTWUNTHDV-KRWDZBQOSA-N 2 0 339.483 3.046 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](C)C(F)(F)F)CC1 ZINC000359121101 167072965 /nfs/dbraw/zinc/07/29/65/167072965.db2.gz ABTGNWSWQAPJQC-AWEZNQCLSA-N 2 0 329.410 3.117 20 0 EGADRP CC1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000359144580 167080022 /nfs/dbraw/zinc/08/00/22/167080022.db2.gz TVIICIDTBUIIHD-CTNGQTDRSA-N 2 0 329.532 3.361 20 0 EGADRP FC(F)(F)c1cccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000359191024 167091587 /nfs/dbraw/zinc/09/15/87/167091587.db2.gz NYFQSOYYGXAOPB-QGZVFWFLSA-N 2 0 342.405 3.468 20 0 EGADRP COc1cccc(C[N@H+](CCC2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000359223951 167099614 /nfs/dbraw/zinc/09/96/14/167099614.db2.gz RKAJEKGCLXULIA-HXUWFJFHSA-N 2 0 332.488 3.066 20 0 EGADRP c1ccc(-c2n[nH]c(C3CC[NH+](CCC4CC[NH2+]CC4)CC3)n2)cc1 ZINC000359227678 167101009 /nfs/dbraw/zinc/10/10/09/167101009.db2.gz XAQHESFEXKMRTB-UHFFFAOYSA-N 2 0 339.487 3.041 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCc2nc3ccccc3n2C(F)F)CC1 ZINC000359733017 167216761 /nfs/dbraw/zinc/21/67/61/167216761.db2.gz VZROHXHGQBOTGC-UHFFFAOYSA-N 2 0 336.430 3.436 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000359890707 167259756 /nfs/dbraw/zinc/25/97/56/167259756.db2.gz VUQAOOFWSFIOJB-YSIASYRMSA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C)C3)cc2)CC1 ZINC000360720165 167396811 /nfs/dbraw/zinc/39/68/11/167396811.db2.gz XOVWLMHFMBMOIJ-NQIIRXRSSA-N 2 0 329.532 3.492 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)c2ccccc2C1 ZINC000365800950 168045021 /nfs/dbraw/zinc/04/50/21/168045021.db2.gz ZOCWGDUNEDFAPY-TZIWHRDSSA-N 2 0 341.499 3.086 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224896 168096269 /nfs/dbraw/zinc/09/62/69/168096269.db2.gz ZEXQDWPURNAUJK-TYPHKJRUSA-N 2 0 329.532 3.219 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000366675315 168129153 /nfs/dbraw/zinc/12/91/53/168129153.db2.gz BSJFDBNZRRIYDL-UHFFFAOYSA-N 3 0 329.532 3.361 20 0 EGADRP COC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000367490801 168233474 /nfs/dbraw/zinc/23/34/74/168233474.db2.gz PNOPKVBXKOTKBO-WWGRRREGSA-N 2 0 326.843 3.383 20 0 EGADRP COC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000367490800 168233567 /nfs/dbraw/zinc/23/35/67/168233567.db2.gz PNOPKVBXKOTKBO-IOASZLSFSA-N 2 0 326.843 3.383 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C[C@H]4CC=CCC4)CC3)C2)cc1 ZINC000367668660 168257628 /nfs/dbraw/zinc/25/76/28/168257628.db2.gz JDPGRISVHBHQND-UNMCSNQZSA-N 2 0 339.527 3.235 20 0 EGADRP CC(C)n1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367967108 168290567 /nfs/dbraw/zinc/29/05/67/168290567.db2.gz SYQNJDFTKJJUMP-RTWAWAEBSA-N 2 0 338.499 3.418 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157588020 224851837 /nfs/dbraw/zinc/85/18/37/224851837.db2.gz HYYRKSRJOFHNSS-MGPUTAFESA-N 2 0 346.446 3.150 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000677845491 549341431 /nfs/dbraw/zinc/34/14/31/549341431.db2.gz GQPUBHVRRAXQRV-VQIMIIECSA-N 2 0 333.907 3.085 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000165289155 226119944 /nfs/dbraw/zinc/11/99/44/226119944.db2.gz ODBOKYDTFDHAFO-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123533414 222293633 /nfs/dbraw/zinc/29/36/33/222293633.db2.gz XBAWTWHSYPUBDK-OXQOHEQNSA-N 2 0 328.456 3.011 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000125447489 222565070 /nfs/dbraw/zinc/56/50/70/222565070.db2.gz CEAFBSFJNCLNGL-MRXNPFEDSA-N 2 0 329.488 3.196 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1 ZINC000171644889 227193554 /nfs/dbraw/zinc/19/35/54/227193554.db2.gz DPYJYQKXHMEZMK-HNNXBMFYSA-N 2 0 344.890 3.338 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000179426244 265377091 /nfs/dbraw/zinc/37/70/91/265377091.db2.gz RMWMNPGKCWVGLV-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CC(OC(C)C)C3)CC2)cc1 ZINC000189527700 265771099 /nfs/dbraw/zinc/77/10/99/265771099.db2.gz QRCZDSMEHYXOPI-UHFFFAOYSA-N 2 0 346.515 3.453 20 0 EGADRP c1cc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000193254461 266019823 /nfs/dbraw/zinc/01/98/23/266019823.db2.gz IFBJLIZHUHNIGO-LJQANCHMSA-N 2 0 328.500 3.362 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236664504 266210053 /nfs/dbraw/zinc/21/00/53/266210053.db2.gz YAMUWRIFFNZSFP-PMACEKPBSA-N 2 0 345.531 3.441 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)C2(C[NH3+])CCCC2)c2cccs2)CC1 ZINC000236659026 266210818 /nfs/dbraw/zinc/21/08/18/266210818.db2.gz ZMILSEPSVAATQJ-MRXNPFEDSA-N 2 0 349.544 3.156 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000237888946 266248748 /nfs/dbraw/zinc/24/87/48/266248748.db2.gz WTPSGFFRZLSWIR-WOJBJXKFSA-N 2 0 343.515 3.065 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000269083832 266285188 /nfs/dbraw/zinc/28/51/88/266285188.db2.gz OZTSRHUEMRODRA-GXTWGEPZSA-N 2 0 348.409 3.435 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](C)c3ccccc3)CC2)CC1 ZINC000269647133 266333726 /nfs/dbraw/zinc/33/37/26/266333726.db2.gz LLQUJLBYMMVAEW-LJQANCHMSA-N 2 0 329.532 3.281 20 0 EGADRP CC[NH+]1CCC([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 ZINC000271684561 266706621 /nfs/dbraw/zinc/70/66/21/266706621.db2.gz JDQHVADMNISXHK-UHFFFAOYSA-N 2 0 330.501 3.212 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCCC(=O)OCc2ccccc2)CC1 ZINC000272753959 266911791 /nfs/dbraw/zinc/91/17/91/266911791.db2.gz OKKXZDWWGUASHG-UHFFFAOYSA-N 2 0 332.488 3.364 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000273266383 267009084 /nfs/dbraw/zinc/00/90/84/267009084.db2.gz ULTKTTWEMSXYGR-SCTDSRPQSA-N 2 0 345.531 3.180 20 0 EGADRP CCn1nc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000274490066 267246154 /nfs/dbraw/zinc/24/61/54/267246154.db2.gz ZNJLENHNMTXHTR-IRXDYDNUSA-N 2 0 344.503 3.035 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCS2 ZINC000187182228 274726144 /nfs/dbraw/zinc/72/61/44/274726144.db2.gz NLKHUXOJRVQWKY-FUHWJXTLSA-N 2 0 333.545 3.066 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181358370 275206340 /nfs/dbraw/zinc/20/63/40/275206340.db2.gz RFZNMQLXMFNLDS-WWGRRREGSA-N 2 0 340.309 3.179 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192054770 275223242 /nfs/dbraw/zinc/22/32/42/275223242.db2.gz FSSYRCQZHHOKQJ-GOSISDBHSA-N 2 0 326.488 3.344 20 0 EGADRP CSc1ccccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000194844233 275227869 /nfs/dbraw/zinc/22/78/69/275227869.db2.gz YVNCDXBZGVCNTA-WMZOPIPTSA-N 2 0 335.561 3.331 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000273787292 275246468 /nfs/dbraw/zinc/24/64/68/275246468.db2.gz TWLPCTZEWMJCEQ-FQEVSTJZSA-N 2 0 341.503 3.180 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278734745 275270088 /nfs/dbraw/zinc/27/00/88/275270088.db2.gz WLCKQUSAWBCTNF-MJGOQNOKSA-N 2 0 332.488 3.299 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000279007358 275295620 /nfs/dbraw/zinc/29/56/20/275295620.db2.gz HHGPFAORSRKMBU-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000279510305 275336197 /nfs/dbraw/zinc/33/61/97/275336197.db2.gz AIOJEXDUTCSCKE-SFTDATJTSA-N 2 0 329.532 3.138 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@@H](O)c1ccccc1 ZINC000279818660 275362710 /nfs/dbraw/zinc/36/27/10/275362710.db2.gz XZXBXYRHDYQDTD-BBTUJRGHSA-N 2 0 338.495 3.466 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c(C)c1OC ZINC000286275195 275974325 /nfs/dbraw/zinc/97/43/25/275974325.db2.gz VNTMTAYMHZGIOF-OAHLLOKOSA-N 2 0 334.504 3.265 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000286978323 276065758 /nfs/dbraw/zinc/06/57/58/276065758.db2.gz IWFXWFWQCFPSOQ-QRFRQXIXSA-N 2 0 333.520 3.149 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000163571601 276110407 /nfs/dbraw/zinc/11/04/07/276110407.db2.gz OKOFRNCYECGWSU-LJQANCHMSA-N 2 0 326.488 3.429 20 0 EGADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000287765639 276155257 /nfs/dbraw/zinc/15/52/57/276155257.db2.gz MODMBGDLVJHYAU-PWIZWCRZSA-N 2 0 348.918 3.192 20 0 EGADRP COC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845837 276162812 /nfs/dbraw/zinc/16/28/12/276162812.db2.gz WMBXPCLXFNNEDO-MLGOLLRUSA-N 2 0 326.843 3.241 20 0 EGADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000287925522 276169633 /nfs/dbraw/zinc/16/96/33/276169633.db2.gz WLIGLKZDEWJLMM-RTBURBONSA-N 2 0 336.907 3.194 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000153147070 276198592 /nfs/dbraw/zinc/19/85/92/276198592.db2.gz VCKDCLBONMALAE-DNVCBOLYSA-N 2 0 333.907 3.039 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCOC)CC1 ZINC000181643453 276202951 /nfs/dbraw/zinc/20/29/51/276202951.db2.gz KNKCYBOEJADQBI-INIZCTEOSA-N 2 0 337.483 3.045 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC000351762430 276203160 /nfs/dbraw/zinc/20/31/60/276203160.db2.gz YWORUFUGIORGGK-CABCVRRESA-N 2 0 325.447 3.366 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000289353400 276326392 /nfs/dbraw/zinc/32/63/92/276326392.db2.gz YFSJGDIWUXTPTI-OXQOHEQNSA-N 2 0 340.515 3.079 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000121057537 276334852 /nfs/dbraw/zinc/33/48/52/276334852.db2.gz AJYKCWVKGZXIRA-LJQANCHMSA-N 2 0 326.488 3.429 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000291127539 276593649 /nfs/dbraw/zinc/59/36/49/276593649.db2.gz DQHBPQWMEFBDIK-UHFFFAOYSA-N 2 0 336.430 3.489 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[N@H+](Cc2ccccc2)C1 ZINC000344487361 278029575 /nfs/dbraw/zinc/02/95/75/278029575.db2.gz VIDYNMKKANAHQA-BVOGOJNSSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000370636986 278612553 /nfs/dbraw/zinc/61/25/53/278612553.db2.gz TUZRPOQOUFSBLS-WWMYMODYSA-N 2 0 327.516 3.383 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000357657510 279138691 /nfs/dbraw/zinc/13/86/91/279138691.db2.gz ZMPDWYGBDHFAGW-QGZVFWFLSA-N 2 0 348.535 3.056 20 0 EGADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343586243 288192577 /nfs/dbraw/zinc/19/25/77/288192577.db2.gz YYPTXQQMMJBUFK-MJGOQNOKSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(OC)cc1 ZINC000154483231 280186598 /nfs/dbraw/zinc/18/65/98/280186598.db2.gz ILTHWNNRTQPQIV-HXUWFJFHSA-N 2 0 333.520 3.154 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127681932 293197482 /nfs/dbraw/zinc/19/74/82/293197482.db2.gz LPGLKEFYZBRZIE-UONOGXRCSA-N 2 0 338.565 3.036 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000051589522 307331393 /nfs/dbraw/zinc/33/13/93/307331393.db2.gz ILWKYKYUYUXFOL-KRWDZBQOSA-N 2 0 331.504 3.019 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000056522458 307343762 /nfs/dbraw/zinc/34/37/62/307343762.db2.gz TXAKWMVDMHLKIB-KRWDZBQOSA-N 2 0 331.504 3.294 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414063637 309058517 /nfs/dbraw/zinc/05/85/17/309058517.db2.gz DZIKODGEOSSFQE-FGTMMUONSA-N 2 0 333.520 3.369 20 0 EGADRP CCC(CC)(CNC(=O)C[C@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000130764439 307633959 /nfs/dbraw/zinc/63/39/59/307633959.db2.gz ASHKAEGHVFQOAQ-IAGOWNOFSA-N 2 0 331.504 3.012 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414161249 309064204 /nfs/dbraw/zinc/06/42/04/309064204.db2.gz KCDJBPUJXWIODO-ROUUACIJSA-N 2 0 349.519 3.094 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC000154392294 307793723 /nfs/dbraw/zinc/79/37/23/307793723.db2.gz KIYAZMUALYCZOX-HNNXBMFYSA-N 2 0 343.437 3.384 20 0 EGADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158469006 307859755 /nfs/dbraw/zinc/85/97/55/307859755.db2.gz NWLDVEUJRRSYCT-RBUKOAKNSA-N 2 0 330.520 3.138 20 0 EGADRP CCCC[C@@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414325355 309073081 /nfs/dbraw/zinc/07/30/81/309073081.db2.gz LYGKJGLJRMITSK-HXUWFJFHSA-N 2 0 345.531 3.442 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336931 309073661 /nfs/dbraw/zinc/07/36/61/309073661.db2.gz ZZKDPSFJHYYOTA-UZLBHIALSA-N 2 0 343.515 3.052 20 0 EGADRP CCc1ncc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000414365154 309075584 /nfs/dbraw/zinc/07/55/84/309075584.db2.gz KAUPZQACDCWXDR-IEBWSBKVSA-N 2 0 338.499 3.429 20 0 EGADRP Cc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000414369689 309076004 /nfs/dbraw/zinc/07/60/04/309076004.db2.gz VEXRMJAUWIAQRZ-PKOBYXMFSA-N 2 0 326.488 3.119 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)OC(C)C ZINC000248651083 308008598 /nfs/dbraw/zinc/00/85/98/308008598.db2.gz XGECIARYQNGERZ-YTXYEVPYSA-N 2 0 334.504 3.480 20 0 EGADRP CC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000248713283 308009870 /nfs/dbraw/zinc/00/98/70/308009870.db2.gz JWRFCNCMWHCHHM-FBBABVLZSA-N 2 0 343.515 3.030 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000248817413 308012057 /nfs/dbraw/zinc/01/20/57/308012057.db2.gz AVDVWEZQTJFJOV-HSALFYBXSA-N 2 0 328.500 3.446 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000248817417 308012142 /nfs/dbraw/zinc/01/21/42/308012142.db2.gz AVDVWEZQTJFJOV-VAMGGRTRSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCO[C@H]1CCCCO1 ZINC000248841031 308012881 /nfs/dbraw/zinc/01/28/81/308012881.db2.gz QQYLAYSEEXOHSW-GGPKGHCWSA-N 2 0 346.515 3.276 20 0 EGADRP C[C@H](CCC1CC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248972623 308016160 /nfs/dbraw/zinc/01/61/60/308016160.db2.gz GZEMLRNYGKSKOE-OXQOHEQNSA-N 2 0 343.515 3.052 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248984912 308016374 /nfs/dbraw/zinc/01/63/74/308016374.db2.gz JREYLVSPLPEKGR-VDZJLULYSA-N 2 0 334.479 3.429 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000249190512 308021158 /nfs/dbraw/zinc/02/11/58/308021158.db2.gz NUCXKKHOEBMVNC-FCEUIQTBSA-N 2 0 343.559 3.360 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249762004 308028008 /nfs/dbraw/zinc/02/80/08/308028008.db2.gz NVNXJICGDQONFK-RCCFBDPRSA-N 2 0 345.531 3.454 20 0 EGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3Cl)C2)C1 ZINC000292894865 308077507 /nfs/dbraw/zinc/07/75/07/308077507.db2.gz GDMKMSCBJUUCOB-SFHVURJKSA-N 2 0 335.879 3.086 20 0 EGADRP CCc1ncc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000414460197 309081612 /nfs/dbraw/zinc/08/16/12/309081612.db2.gz XTTPGZPEYPGIKJ-IBGZPJMESA-N 2 0 338.499 3.429 20 0 EGADRP COC1(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCC1 ZINC000293133454 308102132 /nfs/dbraw/zinc/10/21/32/308102132.db2.gz ZZJBJHBOTWWHLF-UHFFFAOYSA-N 2 0 345.531 3.266 20 0 EGADRP Cc1nccnc1CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000293237781 308112517 /nfs/dbraw/zinc/11/25/17/308112517.db2.gz ZOFFLSWCJHYUTK-UHFFFAOYSA-N 2 0 326.488 3.075 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404571 308127726 /nfs/dbraw/zinc/12/77/26/308127726.db2.gz RLTURURZCMRWMK-NRFANRHFSA-N 3 0 341.543 3.459 20 0 EGADRP C[C@@H](O)C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294358703 308213819 /nfs/dbraw/zinc/21/38/19/308213819.db2.gz ZVDPAVMRYFJDPD-MJGOQNOKSA-N 2 0 339.483 3.195 20 0 EGADRP CC[C@H](C)[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000294831204 308261949 /nfs/dbraw/zinc/26/19/49/308261949.db2.gz PZFWTMONHBCRGD-LAUBAEHRSA-N 2 0 347.547 3.368 20 0 EGADRP CSc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000295053620 308285853 /nfs/dbraw/zinc/28/58/53/308285853.db2.gz QMXICCLGONCIOW-AOIWGVFYSA-N 2 0 333.545 3.228 20 0 EGADRP CCC[NH+]1CCC(N(C)Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000295097282 308290872 /nfs/dbraw/zinc/29/08/72/308290872.db2.gz SVYVLYTXDCGUOF-UHFFFAOYSA-N 2 0 338.879 3.433 20 0 EGADRP COCC1CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000295225676 308304874 /nfs/dbraw/zinc/30/48/74/308304874.db2.gz RKADCQYSGACPBM-NYLDSWQDSA-N 2 0 330.516 3.346 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccsc1 ZINC000295867194 308368942 /nfs/dbraw/zinc/36/89/42/308368942.db2.gz GWKFSLOEDHLSNV-QGZVFWFLSA-N 2 0 330.501 3.136 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cs1 ZINC000295949978 308378028 /nfs/dbraw/zinc/37/80/28/308378028.db2.gz LIBPHDACPYOQBZ-OAHLLOKOSA-N 2 0 330.501 3.054 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414704670 309096354 /nfs/dbraw/zinc/09/63/54/309096354.db2.gz MQUSUXNCPOXOMJ-IRXDYDNUSA-N 2 0 326.488 3.329 20 0 EGADRP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000414709337 309096641 /nfs/dbraw/zinc/09/66/41/309096641.db2.gz JTWQCGRLHBFPSQ-MRXNPFEDSA-N 2 0 344.503 3.277 20 0 EGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000414664513 309094371 /nfs/dbraw/zinc/09/43/71/309094371.db2.gz TZGHQOUXIUHMEW-HNNXBMFYSA-N 2 0 348.443 3.033 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414695579 309095776 /nfs/dbraw/zinc/09/57/76/309095776.db2.gz PCZSSELIUOBRPX-WIYYLYMNSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414738088 309098139 /nfs/dbraw/zinc/09/81/39/309098139.db2.gz OGISERHNRRNHCU-CWJKEVGVSA-N 3 0 329.532 3.047 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)CC12CCOCC2 ZINC000414771934 309099886 /nfs/dbraw/zinc/09/98/86/309099886.db2.gz ASKITBCCIRKOTK-QGZVFWFLSA-N 2 0 326.440 3.134 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783242 309100843 /nfs/dbraw/zinc/10/08/43/309100843.db2.gz PRSZYGLLJDJRTI-SJORKVTESA-N 2 0 331.479 3.247 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC12CCOCC2 ZINC000414782821 309100915 /nfs/dbraw/zinc/10/09/15/309100915.db2.gz PBJCLKLOLAEPSO-CYBMUJFWSA-N 2 0 349.525 3.059 20 0 EGADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)s2)o1 ZINC000414793409 309101744 /nfs/dbraw/zinc/10/17/44/309101744.db2.gz UBHMEJQMJJYISS-WBVHZDCISA-N 2 0 347.484 3.040 20 0 EGADRP CCc1oc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414796923 309102105 /nfs/dbraw/zinc/10/21/05/309102105.db2.gz YCUORCAJORCBFF-HNNXBMFYSA-N 2 0 328.456 3.183 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414803770 309102477 /nfs/dbraw/zinc/10/24/77/309102477.db2.gz OANFFKYTTQNHFP-UONOGXRCSA-N 2 0 346.393 3.243 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414806488 309102535 /nfs/dbraw/zinc/10/25/35/309102535.db2.gz QLDQWFZBXZXNEW-SQWLQELKSA-N 2 0 337.895 3.473 20 0 EGADRP CN(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000298519726 308621375 /nfs/dbraw/zinc/62/13/75/308621375.db2.gz RJVBOTJYEZQPJY-SFHVURJKSA-N 2 0 330.501 3.004 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414813420 309103162 /nfs/dbraw/zinc/10/31/62/309103162.db2.gz YIOKVNVODHYHAA-AZUAARDMSA-N 2 0 325.456 3.268 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000303593346 308754028 /nfs/dbraw/zinc/75/40/28/308754028.db2.gz VSNDRYIPYBHSEO-YLJYHZDGSA-N 2 0 345.531 3.232 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414843895 309105187 /nfs/dbraw/zinc/10/51/87/309105187.db2.gz QLUVOLPIEIRUPX-NSHDSACASA-N 2 0 326.366 3.041 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414846881 309105269 /nfs/dbraw/zinc/10/52/69/309105269.db2.gz FIIWOOURPHQCGM-JSGCOSHPSA-N 2 0 328.403 3.164 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000411512168 308942050 /nfs/dbraw/zinc/94/20/50/308942050.db2.gz ANBYJGQJRVCIDH-IRXDYDNUSA-N 2 0 337.552 3.170 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411677840 308948214 /nfs/dbraw/zinc/94/82/14/308948214.db2.gz SHGBJSNFPHEZSE-OAHLLOKOSA-N 2 0 349.544 3.048 20 0 EGADRP CCOc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414851211 309105461 /nfs/dbraw/zinc/10/54/61/309105461.db2.gz NTUMFCBDTICEHH-ZDUSSCGKSA-N 2 0 328.403 3.166 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[NH2+]C1 ZINC000414851956 309105707 /nfs/dbraw/zinc/10/57/07/309105707.db2.gz JRKUYCTWKCYVGA-WMZOPIPTSA-N 2 0 325.456 3.138 20 0 EGADRP C[NH2+]Cc1cccc(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000414859697 309105958 /nfs/dbraw/zinc/10/59/58/309105958.db2.gz BNPREMJZDLBPGU-UHFFFAOYSA-N 2 0 330.501 3.241 20 0 EGADRP Clc1ccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)s2)cc1 ZINC000414863777 309106174 /nfs/dbraw/zinc/10/61/74/309106174.db2.gz IYYPWWFVGGDGFP-UHFFFAOYSA-N 2 0 335.904 3.063 20 0 EGADRP Clc1cccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)s2)c1 ZINC000414865350 309106250 /nfs/dbraw/zinc/10/62/50/309106250.db2.gz KVVFKNMFIIPCKI-UHFFFAOYSA-N 2 0 335.904 3.063 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414892687 309107723 /nfs/dbraw/zinc/10/77/23/309107723.db2.gz XKDOPNHWCXRXSX-MRVPVSSYSA-N 2 0 325.172 3.295 20 0 EGADRP CCOc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OC(F)F ZINC000414896192 309107951 /nfs/dbraw/zinc/10/79/51/309107951.db2.gz BAPRFHRYXOEFJA-UHFFFAOYSA-N 2 0 328.403 3.166 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH2+]1 ZINC000414959005 309111433 /nfs/dbraw/zinc/11/14/33/309111433.db2.gz WWAUAHZEVUVITR-APWZRJJASA-N 2 0 347.466 3.164 20 0 EGADRP COCC1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[NH2+]CC1 ZINC000414960014 309111768 /nfs/dbraw/zinc/11/17/68/309111768.db2.gz SXOLVQKLTHFTGO-UHFFFAOYSA-N 2 0 348.821 3.047 20 0 EGADRP Cn1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-c2ccccc2Cl)n1 ZINC000414977753 309112458 /nfs/dbraw/zinc/11/24/58/309112458.db2.gz RRQFKSFDQLFYQQ-HNNXBMFYSA-N 2 0 332.879 3.362 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414975978 309112491 /nfs/dbraw/zinc/11/24/91/309112491.db2.gz PFALVRIBWBSJKT-HOCLYGCPSA-N 2 0 337.895 3.487 20 0 EGADRP Brc1cc2c(c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000414982021 309112783 /nfs/dbraw/zinc/11/27/83/309112783.db2.gz YCQNFWDWQDLSPH-OAHLLOKOSA-N 2 0 339.277 3.006 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000414989131 309112991 /nfs/dbraw/zinc/11/29/91/309112991.db2.gz GSXJAZQNONQTIZ-SJLPKXTDSA-N 2 0 325.456 3.268 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000415010037 309114167 /nfs/dbraw/zinc/11/41/67/309114167.db2.gz URXZVRVCTCBCKK-OBKBHFTKSA-N 3 0 327.516 3.289 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018450 309114502 /nfs/dbraw/zinc/11/45/02/309114502.db2.gz CBYFNLHCNUIPPL-BRWVUGGUSA-N 2 0 331.504 3.321 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000415026251 309115124 /nfs/dbraw/zinc/11/51/24/309115124.db2.gz SIDFDCHUMFFMKL-VNYTWHDVSA-N 2 0 329.532 3.394 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000415027187 309115200 /nfs/dbraw/zinc/11/52/00/309115200.db2.gz VTZKOOOFWWPOGL-FTSHXLFYSA-N 3 0 341.543 3.252 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000415031144 309115419 /nfs/dbraw/zinc/11/54/19/309115419.db2.gz GNHKCAFXXWQVPV-HIFRSBDPSA-N 2 0 339.886 3.161 20 0 EGADRP COc1ccc(CN[C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000415038681 309116000 /nfs/dbraw/zinc/11/60/00/309116000.db2.gz IFAYRMJRALPRBX-AWEZNQCLSA-N 2 0 327.266 3.065 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415046337 309116313 /nfs/dbraw/zinc/11/63/13/309116313.db2.gz UZRNVNBXRBUNRD-RTXFEEFZSA-N 2 0 329.257 3.236 20 0 EGADRP c1ccc(CC(C[NH2+]C[C@@H]2C[NH2+]CCCO2)Cc2ccccc2)cc1 ZINC000415051064 309116569 /nfs/dbraw/zinc/11/65/69/309116569.db2.gz ZJWAXGVLKFBSTJ-QFIPXVFZSA-N 2 0 338.495 3.056 20 0 EGADRP COc1ccc([C@@H](CNCC[NH2+]C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000415077449 309118774 /nfs/dbraw/zinc/11/87/74/309118774.db2.gz FCRCCERXCAVGBC-LJQANCHMSA-N 2 0 333.520 3.200 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000415094548 309119836 /nfs/dbraw/zinc/11/98/36/309119836.db2.gz KIAADGJTJNSRFO-WWGRRREGSA-N 2 0 338.293 3.369 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000415106564 309120716 /nfs/dbraw/zinc/12/07/16/309120716.db2.gz JSWWMVIBMRPXFY-NHCUHLMSSA-N 2 0 344.499 3.194 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415119024 309121540 /nfs/dbraw/zinc/12/15/40/309121540.db2.gz FCARORHETKBJMU-QUCCMNQESA-N 2 0 332.488 3.192 20 0 EGADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415121150 309121768 /nfs/dbraw/zinc/12/17/68/309121768.db2.gz HMDBJHWKIJQRJR-AEFFLSMTSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000415122475 309121815 /nfs/dbraw/zinc/12/18/15/309121815.db2.gz IJYBIQWDXKKDPD-NVXWUHKLSA-N 2 0 340.414 3.006 20 0 EGADRP CC1(C)Cc2cc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2O1 ZINC000415123124 309121964 /nfs/dbraw/zinc/12/19/64/309121964.db2.gz LBYNVKIXHCUANG-ICSRJNTNSA-N 2 0 344.499 3.118 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000415125051 309122192 /nfs/dbraw/zinc/12/21/92/309122192.db2.gz NMNMCPTZLDBFCB-RHSMWYFYSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C1 ZINC000415127239 309122298 /nfs/dbraw/zinc/12/22/98/309122298.db2.gz QOSGUBDLHFBTMW-DOTOQJQBSA-N 2 0 342.405 3.424 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000415127472 309122392 /nfs/dbraw/zinc/12/23/92/309122392.db2.gz IEISRSVDDIKTOF-QWFCFKBJSA-N 2 0 329.532 3.394 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415129362 309122520 /nfs/dbraw/zinc/12/25/20/309122520.db2.gz PHCOOGAMLOFAGP-CZUORRHYSA-N 2 0 330.451 3.045 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000415130718 309122568 /nfs/dbraw/zinc/12/25/68/309122568.db2.gz RLOQSUQFWNHZPP-DLBZAZTESA-N 2 0 340.414 3.006 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415129361 309122603 /nfs/dbraw/zinc/12/26/03/309122603.db2.gz PHCOOGAMLOFAGP-CJNGLKHVSA-N 2 0 330.451 3.045 20 0 EGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccccc1C[NH2+]C)c1ccco1 ZINC000415901952 309147070 /nfs/dbraw/zinc/14/70/70/309147070.db2.gz NZDSKSDXVUGOIL-WMLDXEAASA-N 2 0 344.459 3.250 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000415906709 309147471 /nfs/dbraw/zinc/14/74/71/309147471.db2.gz LHJYGAJUNUCPFS-INIZCTEOSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000415931295 309149626 /nfs/dbraw/zinc/14/96/26/309149626.db2.gz KGZRPHMLFOAYMH-MRXNPFEDSA-N 2 0 332.492 3.040 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415947921 309150698 /nfs/dbraw/zinc/15/06/98/309150698.db2.gz XLUIGPGKWMAWTM-PKOBYXMFSA-N 2 0 346.519 3.428 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000415972573 309152049 /nfs/dbraw/zinc/15/20/49/309152049.db2.gz NBJGLSIJRMCNIK-HOTGVXAUSA-N 2 0 346.519 3.284 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972756 309152198 /nfs/dbraw/zinc/15/21/98/309152198.db2.gz IUBFBTCRSMSKJN-SJLPKXTDSA-N 2 0 332.492 3.167 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n(C)n1 ZINC000417781014 309221952 /nfs/dbraw/zinc/22/19/52/309221952.db2.gz JHAYIFBLXFXMGA-UHFFFAOYSA-N 2 0 338.499 3.217 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000417802585 309223051 /nfs/dbraw/zinc/22/30/51/309223051.db2.gz AQSVQXCWDJYQSR-SFHVURJKSA-N 2 0 325.456 3.461 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@]4(CC[NH2+]C4)C3)c2cc1OCC ZINC000420230092 309277676 /nfs/dbraw/zinc/27/76/76/309277676.db2.gz OUONYGLKWALRMF-FQEVSTJZSA-N 2 0 341.455 3.222 20 0 EGADRP CC[N@H+](CCOc1ccc(Br)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420300269 309280208 /nfs/dbraw/zinc/28/02/08/309280208.db2.gz JUUSAALNHUKEBE-AWEZNQCLSA-N 2 0 341.293 3.149 20 0 EGADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420303035 309280439 /nfs/dbraw/zinc/28/04/39/309280439.db2.gz MYMXVYTWXXGSGP-TZEULACYSA-N 2 0 338.495 3.104 20 0 EGADRP OCCC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420302269 309280549 /nfs/dbraw/zinc/28/05/49/309280549.db2.gz JKQUXHSTXCAZMT-ZDUSSCGKSA-N 2 0 331.287 3.177 20 0 EGADRP Clc1ccc(-n2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000420316149 309281544 /nfs/dbraw/zinc/28/15/44/309281544.db2.gz XXPOFXDRXRQAAW-UHFFFAOYSA-N 2 0 330.863 3.101 20 0 EGADRP COc1ccccc1C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420320027 309281817 /nfs/dbraw/zinc/28/18/17/309281817.db2.gz QBSQDMCCGXQUSR-MJGOQNOKSA-N 2 0 332.488 3.066 20 0 EGADRP Fc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000420336163 309282990 /nfs/dbraw/zinc/28/29/90/309282990.db2.gz LOKZIZMLMYBRJM-INIZCTEOSA-N 2 0 326.843 3.322 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336078 309283080 /nfs/dbraw/zinc/28/30/80/309283080.db2.gz IKGKSNXHUWDVJO-XHSDSOJGSA-N 2 0 349.906 3.297 20 0 EGADRP Cc1cc(OCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1C(C)C ZINC000420337269 309283125 /nfs/dbraw/zinc/28/31/25/309283125.db2.gz WQERSIIECNAJRT-SFHVURJKSA-N 2 0 346.515 3.185 20 0 EGADRP C[N@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000420350490 309283734 /nfs/dbraw/zinc/28/37/34/309283734.db2.gz HAHANQMYXUAYHK-IBGZPJMESA-N 2 0 348.437 3.128 20 0 EGADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376452 309284974 /nfs/dbraw/zinc/28/49/74/309284974.db2.gz JWAQIIGRCVHLQQ-MGPUTAFESA-N 2 0 335.455 3.288 20 0 EGADRP COc1ccccc1COC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420376648 309285007 /nfs/dbraw/zinc/28/50/07/309285007.db2.gz QXHKJUXYKJYHHQ-QGZVFWFLSA-N 2 0 332.488 3.066 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000420377821 309285333 /nfs/dbraw/zinc/28/53/33/309285333.db2.gz LGUFDWWFKBTNEC-IAGOWNOFSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000420377823 309285385 /nfs/dbraw/zinc/28/53/85/309285385.db2.gz LGUFDWWFKBTNEC-SJORKVTESA-N 2 0 326.843 3.197 20 0 EGADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000420386900 309285828 /nfs/dbraw/zinc/28/58/28/309285828.db2.gz JQADDQYWFKUHMW-UHFFFAOYSA-N 2 0 325.456 3.224 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000420986762 309305932 /nfs/dbraw/zinc/30/59/32/309305932.db2.gz YUZRNYNIVWGMBU-QGZVFWFLSA-N 2 0 343.506 3.304 20 0 EGADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000421383637 309321896 /nfs/dbraw/zinc/32/18/96/309321896.db2.gz ZRMBZBFBHVBWQN-UHFFFAOYSA-N 2 0 341.293 3.420 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000421835028 309342424 /nfs/dbraw/zinc/34/24/24/309342424.db2.gz PILLMGCJEITKBP-GDBMZVCRSA-N 2 0 340.895 3.236 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000422563645 309361762 /nfs/dbraw/zinc/36/17/62/309361762.db2.gz UAQXMHQLQLPTAP-MBOZVWFJSA-N 2 0 339.483 3.466 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cn1 ZINC000422690795 309363352 /nfs/dbraw/zinc/36/33/52/309363352.db2.gz GXEKKNMKUBHAOM-HNNXBMFYSA-N 2 0 329.444 3.490 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2sccc2C1 ZINC000422715057 309364367 /nfs/dbraw/zinc/36/43/67/309364367.db2.gz LVHMSUBYIPWEKG-LAVFITLUSA-N 2 0 333.545 3.005 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCN(C)c1ccccc1F ZINC000422720061 309364821 /nfs/dbraw/zinc/36/48/21/309364821.db2.gz RZBLFSZYNNVYCF-LPHOPBHVSA-N 2 0 329.463 3.200 20 0 EGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000422720430 309364926 /nfs/dbraw/zinc/36/49/26/309364926.db2.gz MLPLVZBMIMFDMH-UONOGXRCSA-N 2 0 345.443 3.107 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000422719738 309364977 /nfs/dbraw/zinc/36/49/77/309364977.db2.gz RERPRWJOKIQKAM-NUJGCVRESA-N 2 0 335.561 3.395 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422726457 309365374 /nfs/dbraw/zinc/36/53/74/309365374.db2.gz ZZKKWJAKALKARW-AWEZNQCLSA-N 2 0 325.447 3.036 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422732312 309365737 /nfs/dbraw/zinc/36/57/37/309365737.db2.gz POQMJHDVORXSOO-NORZTCDRSA-N 2 0 328.859 3.099 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422734789 309365962 /nfs/dbraw/zinc/36/59/62/309365962.db2.gz CTQXHERYJJREQQ-BWAGFHJFSA-N 2 0 337.511 3.199 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422736972 309365990 /nfs/dbraw/zinc/36/59/90/309365990.db2.gz WSJJRTLHEICLJR-HFSMHLIXSA-N 3 0 345.531 3.342 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737674 309366142 /nfs/dbraw/zinc/36/61/42/309366142.db2.gz XQXQCNOFWKKYBH-QFUCXCTJSA-N 2 0 343.515 3.096 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422757118 309366760 /nfs/dbraw/zinc/36/67/60/309366760.db2.gz JMMLDVWSMBBLAD-XHSDSOJGSA-N 2 0 332.536 3.256 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000422760651 309367003 /nfs/dbraw/zinc/36/70/03/309367003.db2.gz LBFQTLAUCMEIDE-YJBOKZPZSA-N 2 0 348.487 3.057 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2csc3ccccc23)CC[NH2+]CC1 ZINC000422764476 309367102 /nfs/dbraw/zinc/36/71/02/309367102.db2.gz PSHHPNJHENLFBU-CQSZACIVSA-N 2 0 346.496 3.312 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422766703 309367301 /nfs/dbraw/zinc/36/73/01/309367301.db2.gz XPDAABNKLOXNDR-NQIIRXRSSA-N 2 0 343.515 3.096 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422781133 309367872 /nfs/dbraw/zinc/36/78/72/309367872.db2.gz KKRQFWLARRXLRR-YCPHGPKFSA-N 2 0 330.451 3.359 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000422780912 309367879 /nfs/dbraw/zinc/36/78/79/309367879.db2.gz KZBYHPQCOGRJSF-GSEOLPGOSA-N 2 0 342.483 3.180 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000422780915 309367884 /nfs/dbraw/zinc/36/78/84/309367884.db2.gz KZBYHPQCOGRJSF-MDNKFWRPSA-N 2 0 342.483 3.180 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC)c2)CC[NH2+]CC1 ZINC000422777897 309367954 /nfs/dbraw/zinc/36/79/54/309367954.db2.gz GPSKIMZRFPOEFC-JKSUJKDBSA-N 2 0 348.487 3.057 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])Oc1cccc(Br)c1 ZINC000422793590 309368680 /nfs/dbraw/zinc/36/86/80/309368680.db2.gz FVSJCWPKNBXKMK-QWHCGFSZSA-N 2 0 329.282 3.324 20 0 EGADRP c1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422802131 309369246 /nfs/dbraw/zinc/36/92/46/309369246.db2.gz AXYMAJWDTDLREO-HSALFYBXSA-N 2 0 328.500 3.245 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cc(C)sc2C)CC[NH2+]CC1 ZINC000422800728 309369328 /nfs/dbraw/zinc/36/93/28/309369328.db2.gz ADIQWRDPKYORKM-UKRRQHHQSA-N 2 0 338.517 3.337 20 0 EGADRP Fc1cc(F)cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422804687 309369396 /nfs/dbraw/zinc/36/93/96/309369396.db2.gz KVZLSYQRJKLMFO-PKOBYXMFSA-N 2 0 330.378 3.310 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820812 309370203 /nfs/dbraw/zinc/37/02/03/309370203.db2.gz SIONLQDYDQARHC-NQIIRXRSSA-N 2 0 348.494 3.022 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000422823859 309370402 /nfs/dbraw/zinc/37/04/02/309370402.db2.gz MKQPAOFQQSHFPV-QZTJIDSGSA-N 2 0 338.451 3.470 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422836559 309371143 /nfs/dbraw/zinc/37/11/43/309371143.db2.gz KIDBJHYRVKNRHI-CVAIRZPRSA-N 2 0 343.902 3.467 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422848093 309371864 /nfs/dbraw/zinc/37/18/64/309371864.db2.gz SHIYSUVVEWUYRM-JQFCIGGWSA-N 2 0 339.886 3.333 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422855129 309372209 /nfs/dbraw/zinc/37/22/09/309372209.db2.gz UWRFZAJCXGVPGM-UYJHQMFVSA-N 2 0 334.426 3.102 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422866716 309372698 /nfs/dbraw/zinc/37/26/98/309372698.db2.gz QVQDEGFMZSTUDM-ZEDDUWKQSA-N 3 0 327.516 3.291 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000422873554 309373166 /nfs/dbraw/zinc/37/31/66/309373166.db2.gz LOJKNNMIRHPKPS-NLEAXPPASA-N 2 0 326.484 3.089 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])CCOCC2)cc1 ZINC000422876235 309373502 /nfs/dbraw/zinc/37/35/02/309373502.db2.gz FHYDWVABASPKQB-UXHICEINSA-N 2 0 346.515 3.383 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422889174 309374544 /nfs/dbraw/zinc/37/45/44/309374544.db2.gz FLGJWXHVKIHVNX-AZUAARDMSA-N 3 0 333.520 3.014 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422900666 309374960 /nfs/dbraw/zinc/37/49/60/309374960.db2.gz QVINUHKBBMZCDX-QHAWAJNXSA-N 3 0 345.531 3.027 20 0 EGADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422902723 309375150 /nfs/dbraw/zinc/37/51/50/309375150.db2.gz VDWABXOAECWGGV-PCCBWWKXSA-N 2 0 346.515 3.155 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccc1-n1ccnc1 ZINC000422905736 309375677 /nfs/dbraw/zinc/37/56/77/309375677.db2.gz SPPBFZPABLCRSK-QXAKKESOSA-N 2 0 342.462 3.412 20 0 EGADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1nc2c(s1)CCCC2 ZINC000422912236 309375732 /nfs/dbraw/zinc/37/57/32/309375732.db2.gz VNVWXKRBZCDSSC-ARFHVFGLSA-N 2 0 333.545 3.465 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422910923 309375786 /nfs/dbraw/zinc/37/57/86/309375786.db2.gz RWCOGLLCFCYBTG-RYQLBKOJSA-N 2 0 334.529 3.433 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(F)c(C)c2)CC[NH2+]CC1 ZINC000422917346 309376077 /nfs/dbraw/zinc/37/60/77/309376077.db2.gz DHNGRSRJTUIXED-CABCVRRESA-N 2 0 336.451 3.106 20 0 EGADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926917 309376461 /nfs/dbraw/zinc/37/64/61/309376461.db2.gz FBSMWCIOESQWEP-VAMGGRTRSA-N 2 0 328.500 3.146 20 0 EGADRP CC[C@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422934353 309376784 /nfs/dbraw/zinc/37/67/84/309376784.db2.gz CNZKGYQIERHWEJ-HOTGVXAUSA-N 2 0 344.528 3.385 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932646 309376842 /nfs/dbraw/zinc/37/68/42/309376842.db2.gz GEULYKLTDNGHEL-PWIZWCRZSA-N 2 0 340.467 3.074 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935083 309376882 /nfs/dbraw/zinc/37/68/82/309376882.db2.gz KMWZACBSNRSVTF-NHYWBVRUSA-N 2 0 329.257 3.108 20 0 EGADRP COc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422936136 309377031 /nfs/dbraw/zinc/37/70/31/309377031.db2.gz IBPGZQXVHDYCIJ-PXNSSMCTSA-N 2 0 342.414 3.180 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422941476 309377393 /nfs/dbraw/zinc/37/73/93/309377393.db2.gz OQGJRQZQQPFATN-HSALFYBXSA-N 2 0 343.515 3.227 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422949919 309377614 /nfs/dbraw/zinc/37/76/14/309377614.db2.gz UYFVYGUMVJKVMJ-GDBMZVCRSA-N 2 0 344.528 3.372 20 0 EGADRP c1cc(OC2CCCC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422949847 309377645 /nfs/dbraw/zinc/37/76/45/309377645.db2.gz WUHMCSSTBRIWTG-PWRODBHTSA-N 2 0 344.499 3.255 20 0 EGADRP CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422978058 309379379 /nfs/dbraw/zinc/37/93/79/309379379.db2.gz GQHAASGEWUYTKH-XUVXKRRUSA-N 2 0 346.515 3.110 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422982235 309379411 /nfs/dbraw/zinc/37/94/11/309379411.db2.gz WFVOIGNESWKGRX-QFIXIFRTSA-N 2 0 338.451 3.169 20 0 EGADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422987940 309379627 /nfs/dbraw/zinc/37/96/27/309379627.db2.gz JMBMDFPUWBJRET-GHTZIAJQSA-N 2 0 343.515 3.095 20 0 EGADRP COc1cc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(OC)c1 ZINC000423003444 309380430 /nfs/dbraw/zinc/38/04/30/309380430.db2.gz MCDQCSKVSGJBBI-SLFFLAALSA-N 2 0 347.503 3.016 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423008481 309380511 /nfs/dbraw/zinc/38/05/11/309380511.db2.gz SUUTXZWAVRIPSV-UZLBHIALSA-N 3 0 327.472 3.129 20 0 EGADRP FC(F)(F)CSCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423015849 309381217 /nfs/dbraw/zinc/38/12/17/309381217.db2.gz LLOCSQQVOFQCES-ZFWWWQNUSA-N 2 0 346.418 3.127 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423030170 309381964 /nfs/dbraw/zinc/38/19/64/309381964.db2.gz JJUDPPODIWMWKM-WPDASGPRSA-N 2 0 339.527 3.160 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423033202 309381997 /nfs/dbraw/zinc/38/19/97/309381997.db2.gz ZEADPOYNSGOWMB-HACGYAERSA-N 3 0 327.875 3.189 20 0 EGADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@H]1CC[NH2+]C1 ZINC000423035497 309382222 /nfs/dbraw/zinc/38/22/22/309382222.db2.gz RNIKZMJCFJBZKW-NEPJUHHUSA-N 2 0 336.277 3.061 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(-c2ccccc2)n1 ZINC000423036965 309382251 /nfs/dbraw/zinc/38/22/51/309382251.db2.gz VFABABATAGZGEF-SLFFLAALSA-N 2 0 338.499 3.488 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423038378 309382340 /nfs/dbraw/zinc/38/23/40/309382340.db2.gz YONUWMYNRJLPBU-DOMZBBRYSA-N 2 0 341.293 3.120 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423052147 309383138 /nfs/dbraw/zinc/38/31/38/309383138.db2.gz PVQNJODIZGXODF-CDHQVMDDSA-N 2 0 342.483 3.469 20 0 EGADRP C[C@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000423054485 309383313 /nfs/dbraw/zinc/38/33/13/309383313.db2.gz UUQGXYCFAWDHHJ-APHBMKBZSA-N 2 0 329.410 3.038 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423058209 309383507 /nfs/dbraw/zinc/38/35/07/309383507.db2.gz BPNAMWIODXYFTL-OFQRWUPVSA-N 2 0 341.421 3.391 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423057322 309383533 /nfs/dbraw/zinc/38/35/33/309383533.db2.gz HAMBTWLNWRYICG-AVRGHOLYSA-N 2 0 330.394 3.151 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423058208 309383640 /nfs/dbraw/zinc/38/36/40/309383640.db2.gz BPNAMWIODXYFTL-LZWOXQAQSA-N 2 0 341.421 3.391 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066255 309384203 /nfs/dbraw/zinc/38/42/03/309384203.db2.gz DGWHAEUZBGUDOS-COPLHBTASA-N 2 0 344.286 3.204 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C3CCC3)cc2)CC[NH2+]CC1 ZINC000423072967 309384427 /nfs/dbraw/zinc/38/44/27/309384427.db2.gz KCNAMZRABYNHSO-INIZCTEOSA-N 2 0 344.499 3.365 20 0 EGADRP c1ccc(N2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423089584 309385382 /nfs/dbraw/zinc/38/53/82/309385382.db2.gz VMYFIAGPJSKYEP-GFOJFJKKSA-N 2 0 327.516 3.413 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000423090381 309385457 /nfs/dbraw/zinc/38/54/57/309385457.db2.gz VKCLIDJLEZNSBR-CVEARBPZSA-N 2 0 342.487 3.021 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423091604 309385641 /nfs/dbraw/zinc/38/56/41/309385641.db2.gz XXNYXLDYXYPEAN-KBCPNONKSA-N 2 0 338.495 3.091 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423098272 309385918 /nfs/dbraw/zinc/38/59/18/309385918.db2.gz RXVZQCQIUXXRRC-CVEARBPZSA-N 2 0 330.394 3.420 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423098274 309385931 /nfs/dbraw/zinc/38/59/31/309385931.db2.gz RXVZQCQIUXXRRC-HZPDHXFCSA-N 2 0 330.394 3.420 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423102800 309386051 /nfs/dbraw/zinc/38/60/51/309386051.db2.gz KOEIXGOOVUTPEY-QRFRQXIXSA-N 2 0 333.520 3.198 20 0 EGADRP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423109879 309386435 /nfs/dbraw/zinc/38/64/35/309386435.db2.gz TWQPVRGTTMNXDK-RCCFBDPRSA-N 2 0 347.890 3.041 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CCCC12CCOCC2 ZINC000423116540 309386776 /nfs/dbraw/zinc/38/67/76/309386776.db2.gz QHGJZDFSWFMPMD-HFSMHLIXSA-N 2 0 342.483 3.181 20 0 EGADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423123754 309387128 /nfs/dbraw/zinc/38/71/28/309387128.db2.gz NFZSQZJDZZJQKB-PFAUGDHASA-N 2 0 328.500 3.053 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000423127975 309387247 /nfs/dbraw/zinc/38/72/47/309387247.db2.gz CQLWYMNOCQPTNJ-AEGPPILISA-N 2 0 328.378 3.437 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000423131955 309387682 /nfs/dbraw/zinc/38/76/82/309387682.db2.gz UDYHXHLBVKFREE-UXPWSPDFSA-N 2 0 333.520 3.054 20 0 EGADRP COCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000423141475 309387964 /nfs/dbraw/zinc/38/79/64/309387964.db2.gz QGEZUCILVQQGNH-WIYYLYMNSA-N 2 0 344.499 3.429 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC000423145156 309388169 /nfs/dbraw/zinc/38/81/69/309388169.db2.gz JJKGNXKFLHBWRM-AEFFLSMTSA-N 2 0 344.499 3.018 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccn1 ZINC000423148558 309388381 /nfs/dbraw/zinc/38/83/81/309388381.db2.gz VYFNRJALAOPNIJ-UTKZUKDTSA-N 2 0 337.467 3.205 20 0 EGADRP Brc1ccc2c(c1)[C@H](N[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423184806 309389486 /nfs/dbraw/zinc/38/94/86/309389486.db2.gz IRQNHKCNOCGKAL-DGCLKSJQSA-N 2 0 327.291 3.328 20 0 EGADRP Fc1cc(Br)ccc1[C@H](N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423184919 309389597 /nfs/dbraw/zinc/38/95/97/309389597.db2.gz IZMFPWYKYRPOJR-SWLSCSKDSA-N 2 0 327.241 3.381 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423187888 309389653 /nfs/dbraw/zinc/38/96/53/309389653.db2.gz YJSKQZWMJIYUAZ-INIZCTEOSA-N 2 0 330.303 3.329 20 0 EGADRP CC1CC[NH+](CCC[C@@H](N[C@@H]2CC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423209524 309390455 /nfs/dbraw/zinc/39/04/55/309390455.db2.gz GICAGTKZJIRJFU-WOJBJXKFSA-N 2 0 333.495 3.330 20 0 EGADRP C[NH2+]CCC[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423209333 309390571 /nfs/dbraw/zinc/39/05/71/309390571.db2.gz ZYVKLQWSZYBTRY-HXUWFJFHSA-N 2 0 328.456 3.187 20 0 EGADRP COc1ccc(C[C@H]([NH2+]CC[C@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000423224581 309391205 /nfs/dbraw/zinc/39/12/05/309391205.db2.gz JJTWNHFCLVXHSK-YWZLYKJASA-N 2 0 328.456 3.315 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423249251 309392177 /nfs/dbraw/zinc/39/21/77/309392177.db2.gz OIGDIJCXYGTIAZ-FUHWJXTLSA-N 2 0 326.488 3.448 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423255358 309392460 /nfs/dbraw/zinc/39/24/60/309392460.db2.gz BTLIFNFBXRHDIT-IAGOWNOFSA-N 2 0 342.487 3.039 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423255489 309392569 /nfs/dbraw/zinc/39/25/69/309392569.db2.gz AFUDWMHSOATSHI-ICSRJNTNSA-N 3 0 329.532 3.061 20 0 EGADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1C[NH2+]C1 ZINC000423304910 309394598 /nfs/dbraw/zinc/39/45/98/309394598.db2.gz PULOBVIEAVHPMH-LBPRGKRZSA-N 2 0 349.272 3.179 20 0 EGADRP CC(C)(C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423310381 309394790 /nfs/dbraw/zinc/39/47/90/309394790.db2.gz AESRZERWWMLGSH-IBGZPJMESA-N 2 0 343.515 3.190 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)[NH3+] ZINC000423335135 309395664 /nfs/dbraw/zinc/39/56/64/309395664.db2.gz PNWFSAGYLGUJMP-HLIPFELVSA-N 2 0 345.531 3.154 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000423340442 309395956 /nfs/dbraw/zinc/39/59/56/309395956.db2.gz JQHDZAWAASEMOO-KXBFYZLASA-N 2 0 325.456 3.047 20 0 EGADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423346701 309396288 /nfs/dbraw/zinc/39/62/88/309396288.db2.gz PLSVNGYLTNANKF-SNVBAGLBSA-N 2 0 348.340 3.460 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1Br ZINC000423347767 309396414 /nfs/dbraw/zinc/39/64/14/309396414.db2.gz RARKMBNVKQRTRN-LLVKDONJSA-N 2 0 325.250 3.028 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423371303 309397525 /nfs/dbraw/zinc/39/75/25/309397525.db2.gz FITLARXIYRVLSZ-KMKNWIINSA-N 2 0 341.543 3.407 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000423378779 309397836 /nfs/dbraw/zinc/39/78/36/309397836.db2.gz ZWKOVNQNNFAEGO-FQEVSTJZSA-N 2 0 345.531 3.441 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(I)cc1 ZINC000423382895 309397932 /nfs/dbraw/zinc/39/79/32/309397932.db2.gz JZTVNIXHIPGBJB-ZLKJLUDKSA-N 2 0 344.240 3.212 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423387607 309398177 /nfs/dbraw/zinc/39/81/77/309398177.db2.gz SOXZBLJLSBZNRM-KPACCLEDSA-N 2 0 327.516 3.017 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]([NH3+])C1CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000423399969 309398614 /nfs/dbraw/zinc/39/86/14/309398614.db2.gz FHUNGGMZIQNIDX-MAUKXSAKSA-N 2 0 331.504 3.140 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC[NH2+]CC1 ZINC000423396258 309398645 /nfs/dbraw/zinc/39/86/45/309398645.db2.gz BAZWEZOGTNZIIQ-ZWKOTPCHSA-N 2 0 331.504 3.022 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423406563 309398967 /nfs/dbraw/zinc/39/89/67/309398967.db2.gz YYSVYUUSWQOEGP-OAHLLOKOSA-N 2 0 340.467 3.336 20 0 EGADRP COCC1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000423411002 309399172 /nfs/dbraw/zinc/39/91/72/309399172.db2.gz SXMCAEFXPLHYAN-HZSPNIEDSA-N 2 0 342.936 3.499 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cnn(Cc2ccccc2)c1 ZINC000423415237 309399285 /nfs/dbraw/zinc/39/92/85/309399285.db2.gz AGOVTTMLOSLUKQ-BZSNNMDCSA-N 2 0 326.488 3.347 20 0 EGADRP Fc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)cc1 ZINC000423425950 309399794 /nfs/dbraw/zinc/39/97/94/309399794.db2.gz DSUSHXGXKBQKRK-XUVXKRRUSA-N 2 0 325.431 3.288 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423461426 309401140 /nfs/dbraw/zinc/40/11/40/309401140.db2.gz CMTQILYQBSRMJF-LMNJBCLMSA-N 2 0 339.483 3.481 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423490026 309402717 /nfs/dbraw/zinc/40/27/17/309402717.db2.gz HGXVBDQMZUDNAS-DAYGRLMNSA-N 2 0 332.492 3.338 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423493716 309403064 /nfs/dbraw/zinc/40/30/64/309403064.db2.gz QVNFXOHZGZKCGU-NJZAAPMLSA-N 2 0 333.867 3.007 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539478 309405593 /nfs/dbraw/zinc/40/55/93/309405593.db2.gz IJYACHMQYPMXCG-SMKXDYDZSA-N 2 0 335.289 3.414 20 0 EGADRP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539223 309405647 /nfs/dbraw/zinc/40/56/47/309405647.db2.gz HZBHNLVQLJXSNM-ZBYUQBLASA-N 2 0 335.289 3.414 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cccnc2)cc1 ZINC000423542220 309405801 /nfs/dbraw/zinc/40/58/01/309405801.db2.gz MEIJWZVWEOOQLE-QOJCHSLYSA-N 2 0 325.431 3.288 20 0 EGADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423608505 309407489 /nfs/dbraw/zinc/40/74/89/309407489.db2.gz JXAPLUDSLJVDOK-YWZLYKJASA-N 2 0 337.467 3.055 20 0 EGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000424077417 309428509 /nfs/dbraw/zinc/42/85/09/309428509.db2.gz ODAUMZVUUAUTQY-DNVCBOLYSA-N 2 0 331.504 3.400 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000424435005 309443665 /nfs/dbraw/zinc/44/36/65/309443665.db2.gz HXMOLJJPFJNEDH-LJQANCHMSA-N 2 0 346.519 3.332 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000427294703 309526435 /nfs/dbraw/zinc/52/64/35/309526435.db2.gz KBIRBZGFVNNFQG-QGZVFWFLSA-N 2 0 347.503 3.126 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)CN1CC[NH+](C)CC1 ZINC000432247136 309655727 /nfs/dbraw/zinc/65/57/27/309655727.db2.gz RFEAUNHUFQFKOR-LBPRGKRZSA-N 2 0 348.293 3.106 20 0 EGADRP Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1C(F)(F)F ZINC000433129916 309679531 /nfs/dbraw/zinc/67/95/31/309679531.db2.gz FTIJJFSSDNQBOZ-UHFFFAOYSA-N 2 0 343.393 3.156 20 0 EGADRP CC[C@@H](C)N(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433168760 309680506 /nfs/dbraw/zinc/68/05/06/309680506.db2.gz OHSSEDCOHDJBES-QGZVFWFLSA-N 2 0 331.504 3.017 20 0 EGADRP COC(=O)CC1(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000440529830 309851101 /nfs/dbraw/zinc/85/11/01/309851101.db2.gz IHXQBPHDYSMTKA-IAGOWNOFSA-N 2 0 344.499 3.076 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000448033646 309996765 /nfs/dbraw/zinc/99/67/65/309996765.db2.gz YTIVWAWPAZKTMX-XLIONFOSSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000449031673 310031188 /nfs/dbraw/zinc/03/11/88/310031188.db2.gz XMWHCIXZFJTYIM-AWEZNQCLSA-N 2 0 326.431 3.111 20 0 EGADRP COc1cc(C)ccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000449108280 310037759 /nfs/dbraw/zinc/03/77/59/310037759.db2.gz UBGCAQIHJOABPS-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000449148244 310040312 /nfs/dbraw/zinc/04/03/12/310040312.db2.gz JHMPKWFAQJACPA-SJLPKXTDSA-N 2 0 330.472 3.190 20 0 EGADRP Cc1nn2c(C[NH2+]C(C)(C)CCC[NH+](C)C)c(C(C)C)nc2s1 ZINC000449529281 310069621 /nfs/dbraw/zinc/06/96/21/310069621.db2.gz WBNXRUIYZRREQN-UHFFFAOYSA-N 2 0 337.537 3.433 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000449744039 310083653 /nfs/dbraw/zinc/08/36/53/310083653.db2.gz DGHPKTPCMQQSCZ-UHFFFAOYSA-N 2 0 342.531 3.290 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449905506 310093324 /nfs/dbraw/zinc/09/33/24/310093324.db2.gz FYVQZOSKSDSNPR-QUCCMNQESA-N 2 0 347.547 3.260 20 0 EGADRP Cc1cccc(Cl)c1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450655594 310135415 /nfs/dbraw/zinc/13/54/15/310135415.db2.gz UHKPDNZSMIVGJK-INIZCTEOSA-N 2 0 335.923 3.249 20 0 EGADRP c1nc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000451044970 310157441 /nfs/dbraw/zinc/15/74/41/310157441.db2.gz CHUDNQDZZRLMAA-ZWKOTPCHSA-N 2 0 327.497 3.140 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2ccc3ccccc3c2)CC1 ZINC000451985106 310206618 /nfs/dbraw/zinc/20/66/18/310206618.db2.gz MCFNLMLWAYXKQR-UHFFFAOYSA-N 2 0 339.527 3.388 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CCCn1ccnc1)c1ccc(Cl)cc1 ZINC000453062559 310255324 /nfs/dbraw/zinc/25/53/24/310255324.db2.gz UIKDNWZRAYZDED-INIZCTEOSA-N 2 0 329.835 3.039 20 0 EGADRP CCC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)(C)C ZINC000453091934 310257245 /nfs/dbraw/zinc/25/72/45/310257245.db2.gz NGAZEMZCFLHPLI-SFHVURJKSA-N 2 0 333.520 3.282 20 0 EGADRP C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000453105621 310258195 /nfs/dbraw/zinc/25/81/95/310258195.db2.gz XKGZRURXNHKQJZ-HNAYVOBHSA-N 2 0 335.923 3.407 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453107020 310258331 /nfs/dbraw/zinc/25/83/31/310258331.db2.gz HVUARXHATQKTCZ-KXBFYZLASA-N 2 0 335.923 3.407 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453106935 310258362 /nfs/dbraw/zinc/25/83/62/310258362.db2.gz JXHRJBHAQKXTKJ-RBUKOAKNSA-N 2 0 336.907 3.362 20 0 EGADRP O[C@@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CCN(Cc2ccccc2)C1 ZINC000453113458 310258823 /nfs/dbraw/zinc/25/88/23/310258823.db2.gz DZXQTXFJRANCJO-LEWJYISDSA-N 2 0 328.500 3.182 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453128350 310259879 /nfs/dbraw/zinc/25/98/79/310259879.db2.gz MFHISHUNQWOULU-FQEVSTJZSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccncc1 ZINC000453133968 310260216 /nfs/dbraw/zinc/26/02/16/310260216.db2.gz NVZZDEYCYQWZLG-OAQYLSRUSA-N 2 0 339.483 3.279 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000453213694 310264378 /nfs/dbraw/zinc/26/43/78/310264378.db2.gz ATWMHXGZTQAXMM-JSXRDJHFSA-N 2 0 328.500 3.444 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453212282 310264419 /nfs/dbraw/zinc/26/44/19/310264419.db2.gz OBUGFICKXOEZPT-QGLKVJOYSA-N 2 0 328.500 3.180 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H](C)C1 ZINC000453372650 310273581 /nfs/dbraw/zinc/27/35/81/310273581.db2.gz GQTFGJJMVGGZIX-QZTJIDSGSA-N 2 0 340.552 3.044 20 0 EGADRP CCn1ccnc1[C@@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454373952 310306118 /nfs/dbraw/zinc/30/61/18/310306118.db2.gz RNMDEMZPAVLBHS-OWCLPIDISA-N 2 0 349.523 3.020 20 0 EGADRP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455857581 310379711 /nfs/dbraw/zinc/37/97/11/310379711.db2.gz OTQBTWALCWWMGU-IBGZPJMESA-N 2 0 344.503 3.185 20 0 EGADRP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C[NH+]1CCCC1 ZINC000455946662 310383142 /nfs/dbraw/zinc/38/31/42/310383142.db2.gz WZIMYZQOSIXWKE-DNVCBOLYSA-N 2 0 344.503 3.089 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)ccc21 ZINC000456256525 310395282 /nfs/dbraw/zinc/39/52/82/310395282.db2.gz CMBMMDYXQQRJPA-RTBURBONSA-N 2 0 327.472 3.048 20 0 EGADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000463026138 310608345 /nfs/dbraw/zinc/60/83/45/310608345.db2.gz ZBQWQMBJRQIBGQ-OALUTQOASA-N 2 0 334.504 3.309 20 0 EGADRP C[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000479609633 310879441 /nfs/dbraw/zinc/87/94/41/310879441.db2.gz BUATXPVJVXPMSL-GFCCVEGCSA-N 2 0 349.828 3.380 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000486939122 311003067 /nfs/dbraw/zinc/00/30/67/311003067.db2.gz JHJIUKSDQQQIEM-YLJYHZDGSA-N 2 0 343.515 3.097 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000495756383 311606674 /nfs/dbraw/zinc/60/66/74/311606674.db2.gz ZQXWDZVKAMWFMC-VXLLPVPCSA-N 2 0 339.524 3.094 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000497241149 311842538 /nfs/dbraw/zinc/84/25/38/311842538.db2.gz BKVUDOGUVDSENN-RDHHWEPZSA-N 2 0 339.524 3.142 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000506263064 312046139 /nfs/dbraw/zinc/04/61/39/312046139.db2.gz HWJIYHZBYZLUDP-FPOVZHCZSA-N 2 0 345.531 3.324 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2C(=O)OC)CC1 ZINC000506929162 312056059 /nfs/dbraw/zinc/05/60/59/312056059.db2.gz LQHSTNMTJXIBAK-UHFFFAOYSA-N 2 0 332.488 3.417 20 0 EGADRP c1ccc2cc(CC[N@@H+]3CCC[C@H](CN4CCOCC4)C3)ccc2c1 ZINC000511642039 312165162 /nfs/dbraw/zinc/16/51/62/312165162.db2.gz VOTFEKFUFNPOLD-FQEVSTJZSA-N 2 0 338.495 3.427 20 0 EGADRP C[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C1CC1 ZINC000512672616 312192019 /nfs/dbraw/zinc/19/20/19/312192019.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 2 0 341.543 3.359 20 0 EGADRP COc1cc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000515146527 312268028 /nfs/dbraw/zinc/26/80/28/312268028.db2.gz WGWHZWBZMKFDPI-ZDUSSCGKSA-N 2 0 328.403 3.118 20 0 EGADRP Cc1ccc(-c2noc(CCC[NH+]3CCC(CC[NH3+])CC3)n2)cc1F ZINC000516187890 312313845 /nfs/dbraw/zinc/31/38/45/312313845.db2.gz LLCUTCVGGDOLJO-UHFFFAOYSA-N 2 0 346.450 3.178 20 0 EGADRP C[NH+](C)CCN(C(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000516828013 312343855 /nfs/dbraw/zinc/34/38/55/312343855.db2.gz VOTMKOMJCJPDNE-UHFFFAOYSA-N 2 0 331.504 3.236 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000516862168 312346003 /nfs/dbraw/zinc/34/60/03/312346003.db2.gz MKQXUGAKVLYCEW-NRFANRHFSA-N 2 0 326.484 3.222 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000517230851 312370420 /nfs/dbraw/zinc/37/04/20/312370420.db2.gz KFPDVWKWWLZCCS-RXVVDRJESA-N 2 0 332.532 3.499 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527894580 312967869 /nfs/dbraw/zinc/96/78/69/312967869.db2.gz UDUMMCPDCFNWAO-UGSOOPFHSA-N 2 0 339.886 3.082 20 0 EGADRP c1cc(N2CCC([NH2+]C[C@H]3CCN3C3CCCCC3)CC2)cc[nH+]1 ZINC000529638710 313376273 /nfs/dbraw/zinc/37/62/73/313376273.db2.gz AFVFDFDOFCIARP-HXUWFJFHSA-N 2 0 328.504 3.047 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000538761199 314273950 /nfs/dbraw/zinc/27/39/50/314273950.db2.gz PRDRUPFVDFQSBW-FQEVSTJZSA-N 2 0 345.531 3.074 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000538761003 314274071 /nfs/dbraw/zinc/27/40/71/314274071.db2.gz BITLLPWOFKUTSC-HXUWFJFHSA-N 2 0 345.531 3.076 20 0 EGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000539832591 314343904 /nfs/dbraw/zinc/34/39/04/314343904.db2.gz VJZGGTAHQNHLGQ-IBGZPJMESA-N 2 0 343.515 3.105 20 0 EGADRP CN1CCN([C@H](C[NH2+][C@H]2CCC[C@H]2C2CC2)c2cccs2)CC1 ZINC000540260910 314372721 /nfs/dbraw/zinc/37/27/21/314372721.db2.gz NYTYVTDOPQZZSA-OKZBNKHCSA-N 2 0 333.545 3.205 20 0 EGADRP Cc1[nH]nc2ncc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cc12 ZINC000548484701 315015505 /nfs/dbraw/zinc/01/55/05/315015505.db2.gz RRYAADXLNUXXKS-UHFFFAOYSA-N 2 0 329.492 3.401 20 0 EGADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000549780914 315103963 /nfs/dbraw/zinc/10/39/63/315103963.db2.gz XYTGUJIEYWOLTI-UVBSCNOISA-N 2 0 349.316 3.379 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)C[NH+](C)C ZINC000550218627 315120955 /nfs/dbraw/zinc/12/09/55/315120955.db2.gz ULGDSPDLGCXAAP-JSGCOSHPSA-N 2 0 325.294 3.094 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)cc1 ZINC000550644520 315131131 /nfs/dbraw/zinc/13/11/31/315131131.db2.gz SPZDBEXWJSJKEP-LAUBAEHRSA-N 2 0 346.515 3.454 20 0 EGADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552551838 315224863 /nfs/dbraw/zinc/22/48/63/315224863.db2.gz ZFURATYNYICGPW-AZUAARDMSA-N 2 0 343.515 3.181 20 0 EGADRP C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+]1CC(C)C1 ZINC000552979883 315239287 /nfs/dbraw/zinc/23/92/87/315239287.db2.gz DYTSOLBVCDWLNU-ZWKOTPCHSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000559898710 315648781 /nfs/dbraw/zinc/64/87/81/315648781.db2.gz DNBDLXJQQLMTNI-XLIONFOSSA-N 2 0 348.531 3.466 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000561476027 315764715 /nfs/dbraw/zinc/76/47/15/315764715.db2.gz HRRPDYZNGUMGDJ-YHELAOLJSA-N 2 0 329.532 3.184 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000562748433 315893852 /nfs/dbraw/zinc/89/38/52/315893852.db2.gz WGOLERCXVBEBMM-RISCZKNCSA-N 2 0 349.276 3.056 20 0 EGADRP Brc1ccc2cc(OCC[NH2+]C3CC[NH2+]CC3)ccc2c1 ZINC000564201591 316122918 /nfs/dbraw/zinc/12/29/18/316122918.db2.gz RFMGMSFEOJATGC-UHFFFAOYSA-N 2 0 349.272 3.323 20 0 EGADRP COc1cc(F)c(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1OC ZINC000564458178 316155546 /nfs/dbraw/zinc/15/55/46/316155546.db2.gz MZYWDYSLJSXBQH-UHFFFAOYSA-N 2 0 338.467 3.445 20 0 EGADRP CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000564845214 316216822 /nfs/dbraw/zinc/21/68/22/316216822.db2.gz VJFVVQYFWKACCC-UHFFFAOYSA-N 2 0 343.393 3.108 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000565060922 316258480 /nfs/dbraw/zinc/25/84/80/316258480.db2.gz JKZSRQZSRGWFJN-UHFFFAOYSA-N 2 0 348.441 3.328 20 0 EGADRP [NH3+]CCc1ccccc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000565151533 316276108 /nfs/dbraw/zinc/27/61/08/316276108.db2.gz RYNLSLRIANZFGB-UHFFFAOYSA-N 2 0 337.467 3.078 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000565247036 316298749 /nfs/dbraw/zinc/29/87/49/316298749.db2.gz RLTYNYCHIIMSQY-QWHCGFSZSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000565476328 316329327 /nfs/dbraw/zinc/32/93/27/316329327.db2.gz IGPDJVMKJNTAER-XJKSGUPXSA-N 2 0 346.437 3.175 20 0 EGADRP C[N@H+](Cc1ccc(Br)c2cccnc12)CC(C)(C)C[NH3+] ZINC000166546219 454913688 /nfs/dbraw/zinc/91/36/88/454913688.db2.gz WMKUGNCBXMYGMJ-UHFFFAOYSA-N 2 0 336.277 3.414 20 0 EGADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(O)c1 ZINC000570505849 317064994 /nfs/dbraw/zinc/06/49/94/317064994.db2.gz OSLWLACVXQDWMO-DYESRHJHSA-N 2 0 339.483 3.032 20 0 EGADRP C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000570507525 317065598 /nfs/dbraw/zinc/06/55/98/317065598.db2.gz MSKIGJCYYILMHR-VBKZILBWSA-N 2 0 349.478 3.454 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000572733294 317384574 /nfs/dbraw/zinc/38/45/74/317384574.db2.gz OOHOBUVNYKCPAB-PKOBYXMFSA-N 2 0 332.419 3.290 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000177902876 323347681 /nfs/dbraw/zinc/34/76/81/323347681.db2.gz FZSYLXUAIYJGIV-CJNGLKHVSA-N 2 0 330.394 3.404 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000177926976 323348089 /nfs/dbraw/zinc/34/80/89/323348089.db2.gz OUTIOAMCMSDJPR-CJNGLKHVSA-N 2 0 341.293 3.148 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000382735613 324252741 /nfs/dbraw/zinc/25/27/41/324252741.db2.gz JJBGSCNBLXMAPM-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP CSc1cc2c(cc1C[NH2+]C(C)(C)CCC[NH+](C)C)OCCO2 ZINC000387302407 324270802 /nfs/dbraw/zinc/27/08/02/324270802.db2.gz KBTKIVRMAYZPAD-UHFFFAOYSA-N 2 0 338.517 3.390 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398010118 324294723 /nfs/dbraw/zinc/29/47/23/324294723.db2.gz RZPODAWBUMBJMZ-YTQUADARSA-N 2 0 345.531 3.037 20 0 EGADRP Cc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000417948338 324302835 /nfs/dbraw/zinc/30/28/35/324302835.db2.gz HOTVJNUYWCCDRD-HKUYNNGSSA-N 2 0 326.488 3.119 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000578497216 324977297 /nfs/dbraw/zinc/97/72/97/324977297.db2.gz FORDQVVKKOMZOC-GFCCVEGCSA-N 2 0 343.393 3.012 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000579251120 325084880 /nfs/dbraw/zinc/08/48/80/325084880.db2.gz YRTLOXJIJLRLTG-OAHLLOKOSA-N 2 0 331.504 3.199 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000579828775 325164645 /nfs/dbraw/zinc/16/46/45/325164645.db2.gz PSMLGXXBMHDYBT-YLJYHZDGSA-N 2 0 345.531 3.258 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000580456040 325253675 /nfs/dbraw/zinc/25/36/75/325253675.db2.gz KYBRYEWYXKDPJJ-SNVBAGLBSA-N 2 0 332.311 3.288 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCCC[C@H]3N3CCOCC3)CC2)CC1 ZINC000580927620 325309607 /nfs/dbraw/zinc/30/96/07/325309607.db2.gz UWEHHDAASVBELK-LEWJYISDSA-N 2 0 349.563 3.017 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000581696548 325383088 /nfs/dbraw/zinc/38/30/88/325383088.db2.gz PXIMPWUNAQFMQT-OYNPSCLESA-N 2 0 329.532 3.215 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000582966884 325484597 /nfs/dbraw/zinc/48/45/97/325484597.db2.gz UKCGDEAFKFSFBG-FXAWDEMLSA-N 2 0 345.531 3.258 20 0 EGADRP COc1cccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)c1 ZINC000583327108 325514793 /nfs/dbraw/zinc/51/47/93/325514793.db2.gz ACZHIAYRLUAVCC-UHFFFAOYSA-N 2 0 331.485 3.380 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000347516907 457479798 /nfs/dbraw/zinc/47/97/98/457479798.db2.gz HERGSMXIEWEBGV-BRWVUGGUSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[N@@H+]1C ZINC000180677171 455225628 /nfs/dbraw/zinc/22/56/28/455225628.db2.gz VHWDESUEYUTBFL-HOTGVXAUSA-N 2 0 336.907 3.461 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@H](C)C1 ZINC000157953206 455252541 /nfs/dbraw/zinc/25/25/41/455252541.db2.gz COUXISZHEXOBDB-VCBZYWHSSA-N 2 0 337.458 3.111 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000631827447 460575313 /nfs/dbraw/zinc/57/53/13/460575313.db2.gz OOQXEVFJUSSPLF-SJORKVTESA-N 2 0 341.455 3.172 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000245578564 455334195 /nfs/dbraw/zinc/33/41/95/455334195.db2.gz IFJGYOACTYKONB-AYBZRNKSSA-N 2 0 340.471 3.410 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000245579104 455334550 /nfs/dbraw/zinc/33/45/50/455334550.db2.gz ARWUUMYRBTYUEO-NQIIRXRSSA-N 2 0 338.499 3.111 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623543325 460604030 /nfs/dbraw/zinc/60/40/30/460604030.db2.gz LURXLSIBOLUIBW-UHFFFAOYSA-N 2 0 349.466 3.273 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@@H](C)O1 ZINC000067452778 453931892 /nfs/dbraw/zinc/93/18/92/453931892.db2.gz QGCJHRJSAPFQGM-HUUCEWRRSA-N 2 0 348.516 3.117 20 0 EGADRP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523839 454064263 /nfs/dbraw/zinc/06/42/63/454064263.db2.gz CDSUECFFYNKGTF-KRWDZBQOSA-N 2 0 335.536 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)o1 ZINC000044025251 454086552 /nfs/dbraw/zinc/08/65/52/454086552.db2.gz PSKJYEMTFVSFLO-UHFFFAOYSA-N 2 0 335.492 3.066 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H](C)C1 ZINC000245937640 455403829 /nfs/dbraw/zinc/40/38/29/455403829.db2.gz JJPYJONUELNYCV-GLJUWKHASA-N 2 0 339.886 3.378 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C2CC2)cc1 ZINC000057704862 454142152 /nfs/dbraw/zinc/14/21/52/454142152.db2.gz VXKHQTNKKUFXJE-MRXNPFEDSA-N 2 0 331.504 3.131 20 0 EGADRP O[C@@H](COc1ccccc1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889170 454155643 /nfs/dbraw/zinc/15/56/43/454155643.db2.gz XJBHRGPIITWPBZ-HXUWFJFHSA-N 2 0 346.515 3.014 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246057942 455419584 /nfs/dbraw/zinc/41/95/84/455419584.db2.gz YWYSMRVECLKFGF-YOUFYPILSA-N 2 0 340.515 3.408 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095420257 454208483 /nfs/dbraw/zinc/20/84/83/454208483.db2.gz NZUJISWOIMPWDW-IBGZPJMESA-N 2 0 343.515 3.050 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131243755 454242238 /nfs/dbraw/zinc/24/22/38/454242238.db2.gz FPJRQBIAHBZKQC-IBGZPJMESA-N 2 0 337.552 3.366 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1Cl ZINC000095967689 454243057 /nfs/dbraw/zinc/24/30/57/454243057.db2.gz UHGAMXUTXSEKTH-LBPRGKRZSA-N 2 0 326.868 3.350 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000131291768 454245366 /nfs/dbraw/zinc/24/53/66/454245366.db2.gz QVOFIPGVAFAGSM-ZIAGYGMSSA-N 2 0 345.329 3.134 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)s1 ZINC000095976748 454247496 /nfs/dbraw/zinc/24/74/96/454247496.db2.gz BHJLTTMKGMTNPY-CQSZACIVSA-N 2 0 345.512 3.259 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)C ZINC000090028700 454264863 /nfs/dbraw/zinc/26/48/63/454264863.db2.gz BYRRHZGOWDDDAC-IBGZPJMESA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)N(CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000131561041 454265421 /nfs/dbraw/zinc/26/54/21/454265421.db2.gz FCEAQYMLVNDTEC-JKSUJKDBSA-N 2 0 327.513 3.094 20 0 EGADRP FC(F)(F)c1ccccc1OCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000620369419 460631286 /nfs/dbraw/zinc/63/12/86/460631286.db2.gz SFTJOIKVZGUBPH-ZIAGYGMSSA-N 2 0 328.378 3.016 20 0 EGADRP CC(C)[NH+](CCNC(=O)NCC1([NH+](C)C)CCCCCC1)C(C)C ZINC000060955437 454321304 /nfs/dbraw/zinc/32/13/04/454321304.db2.gz DVMAFWYRRLZXGS-UHFFFAOYSA-N 2 0 340.556 3.059 20 0 EGADRP Cc1ncsc1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000132409598 454335559 /nfs/dbraw/zinc/33/55/59/454335559.db2.gz UTOPRQYQNLMWCG-UHFFFAOYSA-N 2 0 333.476 3.387 20 0 EGADRP CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090936837 454351569 /nfs/dbraw/zinc/35/15/69/454351569.db2.gz LYKQDSZGWVFDSK-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP c1csc(N2CCC([NH2+]C3CC[NH+](CC4CCCC4)CC3)CC2)n1 ZINC000090964488 454355547 /nfs/dbraw/zinc/35/55/47/454355547.db2.gz UFSCUUPDFGSMIF-UHFFFAOYSA-N 2 0 348.560 3.356 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000120984775 454374024 /nfs/dbraw/zinc/37/40/24/454374024.db2.gz MCNKHCGYVXYWQM-CABCVRRESA-N 2 0 343.437 3.240 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000121356715 454425220 /nfs/dbraw/zinc/42/52/20/454425220.db2.gz VTGTVYHKWMRSPQ-HNAYVOBHSA-N 2 0 335.923 3.191 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc(OC)c1OC ZINC000121451407 454436502 /nfs/dbraw/zinc/43/65/02/454436502.db2.gz KUPDLRBGTHCATK-UONOGXRCSA-N 2 0 347.459 3.204 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000121538372 454448137 /nfs/dbraw/zinc/44/81/37/454448137.db2.gz CUSFAWGTQUTBCV-RLLQIKCJSA-N 2 0 344.499 3.064 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000134173120 454511919 /nfs/dbraw/zinc/51/19/19/454511919.db2.gz WMKJPEUWRFQBRQ-QHCPKHFHSA-N 2 0 336.545 3.368 20 0 EGADRP C[N@H+](CCOc1cccc(C[NH2+]CC(C)(C)C)c1)C1CCOCC1 ZINC000102781456 454520830 /nfs/dbraw/zinc/52/08/30/454520830.db2.gz VUVKZYLCZDPREF-UHFFFAOYSA-N 2 0 334.504 3.312 20 0 EGADRP CCC[NH+]1CCC(C[NH2+]C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000122670354 454556957 /nfs/dbraw/zinc/55/69/57/454556957.db2.gz LKTORQUXSWOYQM-UHFFFAOYSA-N 2 0 336.549 3.132 20 0 EGADRP COCC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)C ZINC000092563625 454587010 /nfs/dbraw/zinc/58/70/10/454587010.db2.gz WNTZQHMIMNKXTG-UHFFFAOYSA-N 2 0 347.547 3.321 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000080568618 454600141 /nfs/dbraw/zinc/60/01/41/454600141.db2.gz XSRLAZTYKBLKRR-UXHICEINSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009432 460652026 /nfs/dbraw/zinc/65/20/26/460652026.db2.gz GZIGEFSVTXNXPZ-HOJAQTOUSA-N 2 0 329.532 3.265 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635009650 460652578 /nfs/dbraw/zinc/65/25/78/460652578.db2.gz YSEOIOZWBRRXCD-DZKIICNBSA-N 2 0 337.895 3.473 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162188978 454757835 /nfs/dbraw/zinc/75/78/35/454757835.db2.gz PPPVUVNIHBXLCF-WQGACYEGSA-N 2 0 343.284 3.449 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000162491859 454778768 /nfs/dbraw/zinc/77/87/68/454778768.db2.gz MQCBBLZDCLRELD-CYBMUJFWSA-N 2 0 330.303 3.282 20 0 EGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162510323 454779996 /nfs/dbraw/zinc/77/99/96/454779996.db2.gz XYULVLGTGFZACL-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(OCC[NH+](C)C)c1 ZINC000124909663 454781584 /nfs/dbraw/zinc/78/15/84/454781584.db2.gz HPMRWTFYHLJKHV-HUYLIWGRSA-N 2 0 332.488 3.235 20 0 EGADRP C[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153677951 454820647 /nfs/dbraw/zinc/82/06/47/454820647.db2.gz XYFINRKVGOZZOZ-HKUYNNGSSA-N 2 0 345.531 3.295 20 0 EGADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)cc1 ZINC000635013386 460655631 /nfs/dbraw/zinc/65/56/31/460655631.db2.gz RTKXEHMRSQHFLA-FXAWDEMLSA-N 2 0 338.499 3.082 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)cc1)C(C)C ZINC000153717937 454824842 /nfs/dbraw/zinc/82/48/42/454824842.db2.gz FLHDIHVVMDEBRS-HXUWFJFHSA-N 2 0 345.531 3.329 20 0 EGADRP COCC[N@H+](C)CCCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000153741629 454827882 /nfs/dbraw/zinc/82/78/82/454827882.db2.gz MTUHICXDRSAQGE-INIZCTEOSA-N 2 0 326.868 3.112 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177199565 454835673 /nfs/dbraw/zinc/83/56/73/454835673.db2.gz OJHUKLHYGGWQBM-UHFFFAOYSA-N 2 0 347.503 3.237 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000125844563 454851522 /nfs/dbraw/zinc/85/15/22/454851522.db2.gz HRMJPOQQLSFYDC-IRXDYDNUSA-N 2 0 345.487 3.414 20 0 EGADRP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1=O ZINC000177425819 454862746 /nfs/dbraw/zinc/86/27/46/454862746.db2.gz HIFPDDWWHZJHKU-FQEVSTJZSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H](c1ccccn1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177501208 454871184 /nfs/dbraw/zinc/87/11/84/454871184.db2.gz RHDRDZUHUHXUDI-KSZLIROESA-N 2 0 331.504 3.354 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000154213155 454874787 /nfs/dbraw/zinc/87/47/87/454874787.db2.gz BLOKYKWNKTXJGN-QMMLZNLJSA-N 2 0 345.531 3.152 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2c(F)cccc2F)[C@H](C)C1 ZINC000164708695 454888267 /nfs/dbraw/zinc/88/82/67/454888267.db2.gz RRUPPMJKTJJOHC-DNVCBOLYSA-N 2 0 340.458 3.234 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000164957318 454892004 /nfs/dbraw/zinc/89/20/04/454892004.db2.gz CSEUZKQWJYDBPI-OALUTQOASA-N 2 0 331.504 3.093 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000150982270 454921651 /nfs/dbraw/zinc/92/16/51/454921651.db2.gz PSCKEERGUXYPDP-IBGZPJMESA-N 2 0 343.515 3.049 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168662407 454926745 /nfs/dbraw/zinc/92/67/45/454926745.db2.gz JWGJTSCBDIDHQZ-KRWDZBQOSA-N 2 0 331.504 3.154 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cn(C)nc2C)cc1 ZINC000178131221 454937505 /nfs/dbraw/zinc/93/75/05/454937505.db2.gz PPQLEJGAJXWSKK-MRXNPFEDSA-N 2 0 344.503 3.300 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336420 454988488 /nfs/dbraw/zinc/98/84/88/454988488.db2.gz LEOYXLUAGKQLLP-LSTHTHJFSA-N 2 0 343.515 3.157 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336633 454988536 /nfs/dbraw/zinc/98/85/36/454988536.db2.gz LEOYXLUAGKQLLP-NSISKUIASA-N 2 0 343.515 3.157 20 0 EGADRP Fc1ccc(C[N@H+](CCc2ccccn2)CC2CC[NH2+]CC2)cc1 ZINC000178979993 454995880 /nfs/dbraw/zinc/99/58/80/454995880.db2.gz NVSZFZAGRRANLJ-UHFFFAOYSA-N 2 0 327.447 3.265 20 0 EGADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127803515 454999933 /nfs/dbraw/zinc/99/99/33/454999933.db2.gz VEULSVUCGUDCRZ-RTBURBONSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000155612862 455023033 /nfs/dbraw/zinc/02/30/33/455023033.db2.gz JRRWGSJTJYVUOM-KBPBESRZSA-N 2 0 327.875 3.156 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000128063110 455023003 /nfs/dbraw/zinc/02/30/03/455023003.db2.gz IRQVXBKZZFBLEW-XPGWFJOJSA-N 2 0 334.479 3.287 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000155661083 455028732 /nfs/dbraw/zinc/02/87/32/455028732.db2.gz RROXKRTZYFQIQA-GJZGRUSLSA-N 2 0 343.437 3.382 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC(F)F ZINC000623655162 460661585 /nfs/dbraw/zinc/66/15/85/460661585.db2.gz PSKIPEAYLSEURL-AWEZNQCLSA-N 2 0 328.403 3.118 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@H](C)C1 ZINC000152409791 455114417 /nfs/dbraw/zinc/11/44/17/455114417.db2.gz DPZMTJUVWRMTIK-UYAOXDASSA-N 2 0 330.516 3.363 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000119023811 455120306 /nfs/dbraw/zinc/12/03/06/455120306.db2.gz CGYOYHVNNZJCSJ-AEFFLSMTSA-N 2 0 344.499 3.199 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156935210 455157765 /nfs/dbraw/zinc/15/77/65/455157765.db2.gz ANPHIEXHDIWNLR-LSTHTHJFSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000180437887 455170446 /nfs/dbraw/zinc/17/04/46/455170446.db2.gz PXRIIAZJGOWZKV-IBGZPJMESA-N 2 0 337.511 3.249 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000189298381 455172215 /nfs/dbraw/zinc/17/22/15/455172215.db2.gz IKQJIAHKBQIWDR-UHFFFAOYSA-N 2 0 339.886 3.127 20 0 EGADRP O[C@H]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000189311241 455174785 /nfs/dbraw/zinc/17/47/85/455174785.db2.gz CGUJRMAGUZCWFB-ADAARDCZSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000237524872 455192533 /nfs/dbraw/zinc/19/25/33/455192533.db2.gz ANWRRPCXYRDMHN-HNNXBMFYSA-N 2 0 341.455 3.043 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCCCCC[NH3+] ZINC000237590614 455197442 /nfs/dbraw/zinc/19/74/42/455197442.db2.gz SPLJZZZAKYZTOG-UHFFFAOYSA-N 2 0 349.544 3.392 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2ccc(C[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000237625870 455199881 /nfs/dbraw/zinc/19/98/81/455199881.db2.gz FSAPZCGXYXRHDC-FQEVSTJZSA-N 2 0 337.467 3.021 20 0 EGADRP Fc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1F ZINC000182973305 455201480 /nfs/dbraw/zinc/20/14/80/455201480.db2.gz TVDLKSPVTINUBE-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP CC(C)OC1CC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000189515492 455212712 /nfs/dbraw/zinc/21/27/12/455212712.db2.gz UEQVXSPVXWXSMQ-AMZMEHNNSA-N 2 0 346.515 3.341 20 0 EGADRP CCN(C(=O)CN1CC[C@H](C[N@H+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442536 455301502 /nfs/dbraw/zinc/30/15/02/455301502.db2.gz ICLTZISYCBOUAQ-IAGOWNOFSA-N 2 0 349.494 3.009 20 0 EGADRP Cc1ccc2c(CN(C)CC[C@@H]3CCCC[N@@H+]3C)cc(=O)oc2c1 ZINC000173637564 455320145 /nfs/dbraw/zinc/32/01/45/455320145.db2.gz HNOCUZREDKGZQX-KRWDZBQOSA-N 2 0 328.456 3.408 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730160 455326003 /nfs/dbraw/zinc/32/60/03/455326003.db2.gz XXRZZPYTEUZZOC-ZBFHGGJFSA-N 2 0 346.862 3.306 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000158950445 455339182 /nfs/dbraw/zinc/33/91/82/455339182.db2.gz RRBNUNPRTSOOKN-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000159152501 455355861 /nfs/dbraw/zinc/35/58/61/455355861.db2.gz ZMXNAUVZWJZFEP-FFZOFVMBSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000184316623 455370075 /nfs/dbraw/zinc/37/00/75/455370075.db2.gz YAAIMDKKGYUNPH-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000184316601 455370170 /nfs/dbraw/zinc/37/01/70/455370170.db2.gz YAAIMDKKGYUNPH-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000181753914 455379560 /nfs/dbraw/zinc/37/95/60/455379560.db2.gz GMDHLTWSISGELT-NMLBUPMWSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000184512165 455393721 /nfs/dbraw/zinc/39/37/21/455393721.db2.gz CKJSHKPBHCUNBM-DLBZAZTESA-N 2 0 327.476 3.182 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181959461 455404675 /nfs/dbraw/zinc/40/46/75/455404675.db2.gz AROMSCQOSSJRRN-AWEZNQCLSA-N 2 0 338.879 3.290 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246087910 455424460 /nfs/dbraw/zinc/42/44/60/455424460.db2.gz GIFYULWQYOKESJ-XUVXKRRUSA-N 2 0 346.515 3.310 20 0 EGADRP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246200095 455446883 /nfs/dbraw/zinc/44/68/83/455446883.db2.gz CUPWHPAWOCDVBB-KURKYZTESA-N 2 0 345.531 3.169 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1)c1ccccc1 ZINC000601007944 460673486 /nfs/dbraw/zinc/67/34/86/460673486.db2.gz SNMKWTMQOCRZAY-IEBWSBKVSA-N 2 0 343.515 3.251 20 0 EGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1cccc(O)c1 ZINC000191532294 455494495 /nfs/dbraw/zinc/49/44/95/455494495.db2.gz VLGFHYOYJCCWAA-GOSISDBHSA-N 2 0 333.520 3.191 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnccc2N(C)C)c1 ZINC000185168595 455515203 /nfs/dbraw/zinc/51/52/03/455515203.db2.gz NPUVYNQIIBDKSM-UHFFFAOYSA-N 2 0 326.488 3.278 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246889633 455533135 /nfs/dbraw/zinc/53/31/35/455533135.db2.gz DSUNOAMJWIFKFP-QIYLELGZSA-N 2 0 329.532 3.215 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182687418 455568634 /nfs/dbraw/zinc/56/86/34/455568634.db2.gz SSQOXPQFCZPYIN-MRXNPFEDSA-N 2 0 327.513 3.098 20 0 EGADRP CCSc1cccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000185517844 455571829 /nfs/dbraw/zinc/57/18/29/455571829.db2.gz YTFRVLINGGZHFL-UHFFFAOYSA-N 2 0 335.561 3.162 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000185876205 455639723 /nfs/dbraw/zinc/63/97/23/455639723.db2.gz PWWDMTQMMOBVEB-KRWDZBQOSA-N 2 0 327.472 3.062 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000185895611 455645427 /nfs/dbraw/zinc/64/54/27/455645427.db2.gz HHODEQGRSWGUSC-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n(C)n1 ZINC000284218596 455653383 /nfs/dbraw/zinc/65/33/83/455653383.db2.gz HDLBQSKTDJZKTL-HMXCVIKNSA-N 2 0 338.499 3.119 20 0 EGADRP Cc1ccncc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000271484150 455655563 /nfs/dbraw/zinc/65/55/63/455655563.db2.gz ITUPNZYPDQWTEK-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998766 455667334 /nfs/dbraw/zinc/66/73/34/455667334.db2.gz KDXDQRYRMCDUOG-GDBMZVCRSA-N 2 0 346.862 3.306 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000248001061 455668814 /nfs/dbraw/zinc/66/88/14/455668814.db2.gz KJQMWVCPKKZYDY-OGWHTMIXSA-N 2 0 333.495 3.421 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(OC(F)F)c1 ZINC000248009876 455670188 /nfs/dbraw/zinc/67/01/88/455670188.db2.gz LDHFQYUVVFTSKA-ZBFHGGJFSA-N 2 0 342.430 3.176 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc2c(c1)CCO2 ZINC000271578248 455690150 /nfs/dbraw/zinc/69/01/50/455690150.db2.gz ZUXYYVYVANQCBE-SLFFLAALSA-N 2 0 344.499 3.040 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000284485180 455694604 /nfs/dbraw/zinc/69/46/04/455694604.db2.gz YCVRNWHDVPATSD-HXUWFJFHSA-N 2 0 348.450 3.071 20 0 EGADRP C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292744320 455745949 /nfs/dbraw/zinc/74/59/49/455745949.db2.gz QUKJJWLQQRMPGY-CRAIPNDOSA-N 2 0 348.441 3.148 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000268995294 455758142 /nfs/dbraw/zinc/75/81/42/455758142.db2.gz XMSQVGMNBBNYQQ-PMACEKPBSA-N 2 0 327.472 3.025 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000269120721 455792377 /nfs/dbraw/zinc/79/23/77/455792377.db2.gz XMIBTRUHICPMDE-ZBFHGGJFSA-N 2 0 340.533 3.425 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000186587093 455800505 /nfs/dbraw/zinc/80/05/05/455800505.db2.gz XTKQYIDKPOOSBD-UONOGXRCSA-N 2 0 327.875 3.156 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000252498284 455814126 /nfs/dbraw/zinc/81/41/26/455814126.db2.gz QXJSNWSYLYFASM-SOAGJPPSSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000278354505 455826370 /nfs/dbraw/zinc/82/63/70/455826370.db2.gz AZZDZEWQZFUVNI-MSOLQXFVSA-N 2 0 342.487 3.024 20 0 EGADRP COc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccc1C ZINC000194407050 455838535 /nfs/dbraw/zinc/83/85/35/455838535.db2.gz MSLMYKPAQTYGBP-UHFFFAOYSA-N 2 0 325.456 3.405 20 0 EGADRP CCC[NH+]1CCC(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186878478 455846851 /nfs/dbraw/zinc/84/68/51/455846851.db2.gz MBSZCRXELZAQRL-OAQYLSRUSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000285705782 455899828 /nfs/dbraw/zinc/89/98/28/455899828.db2.gz PHGURUUZJPXIRP-HZPDHXFCSA-N 2 0 345.487 3.323 20 0 EGADRP CCn1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c2ccccc21 ZINC000261604932 455911238 /nfs/dbraw/zinc/91/12/38/455911238.db2.gz AXHIUJNOQBIDQH-MJGOQNOKSA-N 2 0 334.467 3.231 20 0 EGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286001868 455958238 /nfs/dbraw/zinc/95/82/38/455958238.db2.gz ISQVTGZZEVJTCX-FQEVSTJZSA-N 2 0 338.499 3.383 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCCC1)c1ccccc1 ZINC000261856917 455958988 /nfs/dbraw/zinc/95/89/88/455958988.db2.gz WJFOPVAYFGYRKU-YTQUADARSA-N 2 0 343.515 3.284 20 0 EGADRP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000262022045 455986594 /nfs/dbraw/zinc/98/65/94/455986594.db2.gz WGTJXDKTYIMMQF-IHPCNDPISA-N 2 0 336.483 3.409 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000188109911 455998931 /nfs/dbraw/zinc/99/89/31/455998931.db2.gz VRGDKHIXHXYVMB-CTNGQTDRSA-N 2 0 329.532 3.112 20 0 EGADRP COCc1cccc(OCC2(C[NH+]3CCC([C@@H](C)[NH3+])CC3)CCC2)c1 ZINC000262156573 456005818 /nfs/dbraw/zinc/00/58/18/456005818.db2.gz RZAPWQSFSMDOHP-QGZVFWFLSA-N 2 0 346.515 3.441 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)CCC2)c1 ZINC000262173138 456007621 /nfs/dbraw/zinc/00/76/21/456007621.db2.gz VLNFATSTGCAWQB-AEFFLSMTSA-N 2 0 332.488 3.051 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262351499 456028453 /nfs/dbraw/zinc/02/84/53/456028453.db2.gz JBPKVVIYMXEXCS-GHTZIAJQSA-N 2 0 341.499 3.043 20 0 EGADRP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272656997 456028539 /nfs/dbraw/zinc/02/85/39/456028539.db2.gz GWYZKKJMHQPLKI-HSALFYBXSA-N 2 0 330.516 3.285 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)[C@@H](C)C2 ZINC000272675172 456035003 /nfs/dbraw/zinc/03/50/03/456035003.db2.gz UKPDNKREWPMENO-PSMQTCRGSA-N 2 0 328.500 3.196 20 0 EGADRP COC(=O)c1cccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1Cl ZINC000296838015 456049390 /nfs/dbraw/zinc/04/93/90/456049390.db2.gz XAINYBURYOTEDS-GOSISDBHSA-N 2 0 336.863 3.044 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000272809649 456075378 /nfs/dbraw/zinc/07/53/78/456075378.db2.gz CFFPPEXAUGLZGE-IBGZPJMESA-N 2 0 329.488 3.212 20 0 EGADRP Cc1nccn1CCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272933521 456116693 /nfs/dbraw/zinc/11/66/93/456116693.db2.gz KGBOSPRNDQKMIS-MRXNPFEDSA-N 2 0 339.361 3.284 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000263359964 456132421 /nfs/dbraw/zinc/13/24/21/456132421.db2.gz TVYGCQKGTJODKR-WMZOPIPTSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H](O)[C@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000188897433 456164731 /nfs/dbraw/zinc/16/47/31/456164731.db2.gz RMWVDAVUINBDIP-UWJYYQICSA-N 2 0 332.532 3.469 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)ccc2n1 ZINC000333141546 456167462 /nfs/dbraw/zinc/16/74/62/456167462.db2.gz KZYBSJSUDHCHOO-CTNGQTDRSA-N 2 0 339.483 3.262 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(O)cc2)cc1 ZINC000236884629 456198055 /nfs/dbraw/zinc/19/80/55/456198055.db2.gz WQEGDJMBGUDTQP-UHFFFAOYSA-N 2 0 328.456 3.403 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1)C(C)C ZINC000236923974 456202284 /nfs/dbraw/zinc/20/22/84/456202284.db2.gz MEAHRCJNMSQVIM-FQEVSTJZSA-N 2 0 333.520 3.410 20 0 EGADRP Cc1cc(-c2noc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)ccc1F ZINC000333582715 456236809 /nfs/dbraw/zinc/23/68/09/456236809.db2.gz ODGXHLHMTHPHFL-CQSZACIVSA-N 2 0 344.434 3.148 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000237190710 456244272 /nfs/dbraw/zinc/24/42/72/456244272.db2.gz DAJSJXUBEPHSIZ-WOJBJXKFSA-N 2 0 339.483 3.194 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)CC1 ZINC000290290612 456280971 /nfs/dbraw/zinc/28/09/71/456280971.db2.gz AJOBHPZSXUNWSJ-SFHVURJKSA-N 2 0 344.499 3.495 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297757343 456288478 /nfs/dbraw/zinc/28/84/78/456288478.db2.gz USRKIOYZZZUMDH-GOSISDBHSA-N 3 0 330.520 3.008 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ncc(CN(C)C)s2)C1 ZINC000352767755 456289400 /nfs/dbraw/zinc/28/94/00/456289400.db2.gz CZFVKVLUDVUHAK-HOTGVXAUSA-N 2 0 338.565 3.052 20 0 EGADRP Cc1ccc2[nH+]ccc(N3CCC([N@H+]4CCO[C@H](C)C4)CC3)c2c1 ZINC000302178968 456308615 /nfs/dbraw/zinc/30/86/15/456308615.db2.gz YLMNBFDWQDABSU-MRXNPFEDSA-N 2 0 325.456 3.233 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000302228246 456323160 /nfs/dbraw/zinc/32/31/60/456323160.db2.gz QTEAEHWDIRSPRC-OAHLLOKOSA-N 2 0 338.455 3.167 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290421594 456323393 /nfs/dbraw/zinc/32/33/93/456323393.db2.gz KUAKJASFIUTSQT-HNNXBMFYSA-N 2 0 346.906 3.390 20 0 EGADRP COC1CC[NH+](C2(CNc3cc[nH+]c(C)c3Cl)CCCC2)CC1 ZINC000352831229 456345622 /nfs/dbraw/zinc/34/56/22/456345622.db2.gz YBQQOFUFHBCSFF-UHFFFAOYSA-N 2 0 337.895 3.301 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1C ZINC000302482779 456347973 /nfs/dbraw/zinc/34/79/73/456347973.db2.gz HBJWLAOAEVBRMO-AWEZNQCLSA-N 2 0 327.472 3.133 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000337421536 456352043 /nfs/dbraw/zinc/35/20/43/456352043.db2.gz QDZNUJXKXIWFAP-OAHLLOKOSA-N 2 0 335.458 3.065 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](Nc3cc[nH+]c(C)c3)C2)cc(OC)c1 ZINC000302586828 456363611 /nfs/dbraw/zinc/36/36/11/456363611.db2.gz UXIQXTILUFVHOU-KRWDZBQOSA-N 2 0 327.428 3.094 20 0 EGADRP CSc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000352852822 456363804 /nfs/dbraw/zinc/36/38/04/456363804.db2.gz KOVJNZUSACEQNK-UHFFFAOYSA-N 2 0 339.574 3.118 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)CC1 ZINC000290561680 456364671 /nfs/dbraw/zinc/36/46/71/456364671.db2.gz SKEBXBPYRBHBDN-MRXNPFEDSA-N 2 0 342.462 3.380 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000337561759 456382126 /nfs/dbraw/zinc/38/21/26/456382126.db2.gz NOPWBAWOBMHLMP-LPOKXYRGSA-N 2 0 335.536 3.019 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC(F)F ZINC000290632569 456388281 /nfs/dbraw/zinc/38/82/81/456388281.db2.gz YBTXYQDNOCVGLT-LSDHHAIUSA-N 2 0 340.414 3.213 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCCC2)ncn1 ZINC000302862134 456418847 /nfs/dbraw/zinc/41/88/47/456418847.db2.gz VXAVOPLTMJSMQZ-AEFFLSMTSA-N 2 0 337.471 3.009 20 0 EGADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000352967098 456426692 /nfs/dbraw/zinc/42/66/92/456426692.db2.gz KSVRLHOIGDXVRB-ZIBATOQPSA-N 2 0 344.425 3.196 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1C ZINC000282253491 456457413 /nfs/dbraw/zinc/45/74/13/456457413.db2.gz QOADMHPNIAUXLF-HNNXBMFYSA-N 2 0 332.517 3.353 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@H](C[NH+]4CCCC4)C3)c2cc1OC ZINC000298473850 456467317 /nfs/dbraw/zinc/46/73/17/456467317.db2.gz ZLWJUVRIFIZVLD-OAHLLOKOSA-N 2 0 341.455 3.174 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)[C@@]2(C)CCCO2)cc1 ZINC000340472169 456479482 /nfs/dbraw/zinc/47/94/82/456479482.db2.gz COUWWGNOTYKXEF-YLJYHZDGSA-N 2 0 334.504 3.454 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256731 456487351 /nfs/dbraw/zinc/48/73/51/456487351.db2.gz PXAYVWRVNNNWGM-GHTZIAJQSA-N 2 0 329.532 3.348 20 0 EGADRP COCCOC[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340538283 456520118 /nfs/dbraw/zinc/52/01/18/456520118.db2.gz WFGCFODLTYAMEZ-QHGAOEGBSA-N 2 0 334.504 3.071 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@]1(C)CCCO1 ZINC000340539253 456520273 /nfs/dbraw/zinc/52/02/73/456520273.db2.gz RXDVEXBOMIYLHZ-OXQOHEQNSA-N 2 0 332.488 3.207 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000340586149 456549481 /nfs/dbraw/zinc/54/94/81/456549481.db2.gz KIPCLKOIRNPTQE-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353201690 456555809 /nfs/dbraw/zinc/55/58/09/456555809.db2.gz HRYLXGXCKHACIS-CTNGQTDRSA-N 2 0 343.515 3.019 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000282632366 456575365 /nfs/dbraw/zinc/57/53/65/456575365.db2.gz JTSSISOTXZFNAB-FQEVSTJZSA-N 2 0 333.495 3.379 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)c1 ZINC000291315188 456602654 /nfs/dbraw/zinc/60/26/54/456602654.db2.gz UFXSELQKAIPCLN-NRFANRHFSA-N 2 0 340.467 3.500 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291342419 456612801 /nfs/dbraw/zinc/61/28/01/456612801.db2.gz WYGXILLJMUVYLV-WMZOPIPTSA-N 2 0 344.503 3.131 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000348328794 456626156 /nfs/dbraw/zinc/62/61/56/456626156.db2.gz QDGLKHYNVDDPFH-SBHAEUEKSA-N 2 0 345.531 3.293 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000340712837 456642903 /nfs/dbraw/zinc/64/29/03/456642903.db2.gz UAEBMTNGGFPXNP-LJQANCHMSA-N 2 0 330.451 3.080 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712836 456643108 /nfs/dbraw/zinc/64/31/08/456643108.db2.gz UAEBMTNGGFPXNP-IBGZPJMESA-N 2 0 330.451 3.080 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000338001144 456648763 /nfs/dbraw/zinc/64/87/63/456648763.db2.gz ZTHABVPKABAZIC-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP COc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1OC(F)F ZINC000353406003 456680396 /nfs/dbraw/zinc/68/03/96/456680396.db2.gz SYOANCABQOBCIQ-UHFFFAOYSA-N 2 0 328.403 3.259 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000353472403 456700633 /nfs/dbraw/zinc/70/06/33/456700633.db2.gz UDCVSGPXXKDRRA-SNRMKQJTSA-N 2 0 329.488 3.388 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353465399 456701636 /nfs/dbraw/zinc/70/16/36/456701636.db2.gz UDBZPLVVTFCLAS-KURKYZTESA-N 2 0 341.503 3.286 20 0 EGADRP C[C@H]([NH2+][C@H]1COc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328215127 456711385 /nfs/dbraw/zinc/71/13/85/456711385.db2.gz JSFYFQYHGSHHAB-IOMROCGXSA-N 2 0 336.479 3.490 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cc1 ZINC000299578334 456733207 /nfs/dbraw/zinc/73/32/07/456733207.db2.gz CGPAPSQBLKIFBP-UXHICEINSA-N 2 0 343.515 3.275 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000338294852 456753525 /nfs/dbraw/zinc/75/35/25/456753525.db2.gz GCZLHKUFMICFDL-KRWDZBQOSA-N 2 0 343.506 3.161 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(Br)c2cccnc12)C[NH+](C)C ZINC000291801671 456762769 /nfs/dbraw/zinc/76/27/69/456762769.db2.gz XGILKLIYBVTVPK-GFCCVEGCSA-N 2 0 336.277 3.285 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc21 ZINC000283497683 456791562 /nfs/dbraw/zinc/79/15/62/456791562.db2.gz YMGKENDATWLYIC-RBUKOAKNSA-N 2 0 330.472 3.244 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277396511 456809579 /nfs/dbraw/zinc/80/95/79/456809579.db2.gz XZQUWKUSIOTHGB-HNNXBMFYSA-N 2 0 343.471 3.051 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969390 456814480 /nfs/dbraw/zinc/81/44/80/456814480.db2.gz RYXNYDIPMPWCJQ-BHYGNILZSA-N 2 0 342.405 3.155 20 0 EGADRP COc1ncc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000353641677 456824090 /nfs/dbraw/zinc/82/40/90/456824090.db2.gz JORVYBPMRCMEOS-GFCCVEGCSA-N 2 0 343.924 3.222 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292076964 456847846 /nfs/dbraw/zinc/84/78/46/456847846.db2.gz LSNTXTGPKJCPIU-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292076972 456849320 /nfs/dbraw/zinc/84/93/20/456849320.db2.gz LSNTXTGPKJCPIU-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000338686114 456852008 /nfs/dbraw/zinc/85/20/08/456852008.db2.gz DGPPTMZOSYJNID-SMOSDQRPSA-N 2 0 342.483 3.385 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)CN(Cc2ccccc2)C1 ZINC000344739461 456853610 /nfs/dbraw/zinc/85/36/10/456853610.db2.gz ULJKXAHGOIFNEL-AEFFLSMTSA-N 2 0 332.488 3.218 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000292108773 456857074 /nfs/dbraw/zinc/85/70/74/456857074.db2.gz PEVFJXIDGONNMR-RLLQIKCJSA-N 2 0 343.515 3.030 20 0 EGADRP CCc1nc(C(C)C)ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000339045554 456913706 /nfs/dbraw/zinc/91/37/06/456913706.db2.gz UXEDCOZMXBYEDN-IOMROCGXSA-N 2 0 345.531 3.451 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000349376072 456956940 /nfs/dbraw/zinc/95/69/40/456956940.db2.gz FBKMXLVCWJZGQS-DLBZAZTESA-N 2 0 335.561 3.475 20 0 EGADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986160 456990002 /nfs/dbraw/zinc/99/00/02/456990002.db2.gz HGCWZTGONNGAAP-HKUYNNGSSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)n1 ZINC000341907379 456995227 /nfs/dbraw/zinc/99/52/27/456995227.db2.gz ZYDUNVWEYXWIGK-HZUJVAHNSA-N 2 0 340.515 3.350 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000354078288 457047814 /nfs/dbraw/zinc/04/78/14/457047814.db2.gz PQPRPJOPXVNKLF-IBGZPJMESA-N 2 0 345.462 3.307 20 0 EGADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102439 457055280 /nfs/dbraw/zinc/05/52/80/457055280.db2.gz GKUJTQLDPGLQQO-SFHLNBCPSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102436 457055611 /nfs/dbraw/zinc/05/56/11/457055611.db2.gz GKUJTQLDPGLQQO-SBHAEUEKSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000339397647 457093340 /nfs/dbraw/zinc/09/33/40/457093340.db2.gz RUFKEYQSNIZPDY-SJORKVTESA-N 2 0 328.460 3.495 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000346677916 457107629 /nfs/dbraw/zinc/10/76/29/457107629.db2.gz LANOPKPLPKKRSN-UHFFFAOYSA-N 2 0 337.514 3.201 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000346685212 457110563 /nfs/dbraw/zinc/11/05/63/457110563.db2.gz QLDAOCMDVLUBPT-UHFFFAOYSA-N 2 0 336.501 3.001 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000346685276 457110901 /nfs/dbraw/zinc/11/09/01/457110901.db2.gz QPXAXOFZDVHVGT-UHFFFAOYSA-N 2 0 333.863 3.218 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225749 457142724 /nfs/dbraw/zinc/14/27/24/457142724.db2.gz YLUPRWXLRNSYPL-PBHICJAKSA-N 2 0 337.895 3.473 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362924922 457159476 /nfs/dbraw/zinc/15/94/76/457159476.db2.gz QRVFTYZCUJMTRT-UHFFFAOYSA-N 2 0 328.500 3.456 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CCCC1 ZINC000359959290 457172230 /nfs/dbraw/zinc/17/22/30/457172230.db2.gz RCWGSMSYXWSGGQ-QZTJIDSGSA-N 2 0 346.515 3.345 20 0 EGADRP COC1(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000359972598 457180236 /nfs/dbraw/zinc/18/02/36/457180236.db2.gz WYRCZXSJNDJPHG-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCCCn3cccn3)C2)CC1 ZINC000363015936 457196373 /nfs/dbraw/zinc/19/63/73/457196373.db2.gz MHXJSTARNNCFFW-FQEVSTJZSA-N 2 0 332.536 3.497 20 0 EGADRP CCOc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OCC ZINC000347043463 457200355 /nfs/dbraw/zinc/20/03/55/457200355.db2.gz MVSGQWXBLONXJN-SFHVURJKSA-N 2 0 332.488 3.448 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000356906518 457211525 /nfs/dbraw/zinc/21/15/25/457211525.db2.gz VZRGXIFKDKKBEO-NCYKPQTJSA-N 2 0 342.527 3.284 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000360041295 457219232 /nfs/dbraw/zinc/21/92/32/457219232.db2.gz PDWMYNABVSVUJZ-JQHSSLGASA-N 2 0 329.488 3.237 20 0 EGADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(Br)c1 ZINC000360041724 457219251 /nfs/dbraw/zinc/21/92/51/457219251.db2.gz ZGPZKTRLQSLJDS-INIZCTEOSA-N 2 0 343.309 3.458 20 0 EGADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000331767223 457247139 /nfs/dbraw/zinc/24/71/39/457247139.db2.gz HANAIXIMUDZWJP-ZTFGCOKTSA-N 2 0 347.528 3.275 20 0 EGADRP COC1CC[NH+](C2(CNc3cc[nH+]c4ccccc34)CCCC2)CC1 ZINC000347143196 457253840 /nfs/dbraw/zinc/25/38/40/457253840.db2.gz IVVTZFARHSXWKD-UHFFFAOYSA-N 2 0 339.483 3.492 20 0 EGADRP CN(Cc1ccc(Cl)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000347206822 457288551 /nfs/dbraw/zinc/28/85/51/457288551.db2.gz RVMZGIUHHBNQRF-HXUWFJFHSA-N 2 0 344.886 3.409 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000342419429 457293627 /nfs/dbraw/zinc/29/36/27/457293627.db2.gz JZXRQIRKEDHBGK-AZUAARDMSA-N 2 0 339.483 3.448 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357045852 457295685 /nfs/dbraw/zinc/29/56/85/457295685.db2.gz VPXQBQJTTWAPOE-CGBFIWBNSA-N 2 0 345.531 3.447 20 0 EGADRP c1cn2c(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c(C3CC3)nc2s1 ZINC000357060295 457303543 /nfs/dbraw/zinc/30/35/43/457303543.db2.gz XYMAKFNESPQRGO-OAHLLOKOSA-N 2 0 330.501 3.095 20 0 EGADRP C[NH+](C)CC1(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CCCC1 ZINC000354667074 457305614 /nfs/dbraw/zinc/30/56/14/457305614.db2.gz IXRFFZCATXIAJZ-UHFFFAOYSA-N 2 0 347.894 3.132 20 0 EGADRP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)CCOCC[NH3+])cc1 ZINC000357086056 457314639 /nfs/dbraw/zinc/31/46/39/457314639.db2.gz RIQMIWPOVSJKKE-INIZCTEOSA-N 2 0 328.456 3.330 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000360659080 457324876 /nfs/dbraw/zinc/32/48/76/457324876.db2.gz WQYWQMTUMUZCCM-PWRODBHTSA-N 2 0 343.515 3.280 20 0 EGADRP C[C@@](O)(C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000363431724 457325963 /nfs/dbraw/zinc/32/59/63/457325963.db2.gz XJUGETNCRLDPGL-YLJYHZDGSA-N 2 0 328.456 3.130 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000347381381 457390825 /nfs/dbraw/zinc/39/08/25/457390825.db2.gz ROJBRDNFCQAFGJ-LJQANCHMSA-N 2 0 333.520 3.305 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCc2ccsc2)CC1 ZINC000360901229 457420827 /nfs/dbraw/zinc/42/08/27/457420827.db2.gz HMVMKWYQXYLTRB-ROUUACIJSA-N 2 0 335.561 3.171 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000387657842 457431405 /nfs/dbraw/zinc/43/14/05/457431405.db2.gz MJCQUAZOHSGBSE-MOPGFXCFSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000342699908 457464016 /nfs/dbraw/zinc/46/40/16/457464016.db2.gz WSIXUKYMHWVBGB-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000347496823 457466635 /nfs/dbraw/zinc/46/66/35/457466635.db2.gz HQGDIZNKSIPWEG-UHFFFAOYSA-N 2 0 335.451 3.180 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000369990520 457490283 /nfs/dbraw/zinc/49/02/83/457490283.db2.gz FYNMSRWVRCHVPD-WMZOPIPTSA-N 2 0 344.503 3.136 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000364152064 457502119 /nfs/dbraw/zinc/50/21/19/457502119.db2.gz XDKNWJOZTKYYSE-NDXORKPFSA-N 2 0 346.515 3.483 20 0 EGADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000342766900 457510363 /nfs/dbraw/zinc/51/03/63/457510363.db2.gz YPPIRFJFOKUZSR-APWZRJJASA-N 2 0 329.488 3.389 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000357470395 457548826 /nfs/dbraw/zinc/54/88/26/457548826.db2.gz HNQJDMCXZXVZTI-OAHLLOKOSA-N 2 0 331.504 3.429 20 0 EGADRP COc1cccc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374281208 457565007 /nfs/dbraw/zinc/56/50/07/457565007.db2.gz WXEGCRSUSPQVJI-HXUWFJFHSA-N 2 0 325.456 3.092 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccsc3)CC2)CC1 ZINC000374285831 457569182 /nfs/dbraw/zinc/56/91/82/457569182.db2.gz VNGCKRDNWDEBJU-UHFFFAOYSA-N 2 0 335.561 3.376 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000347650605 457574646 /nfs/dbraw/zinc/57/46/46/457574646.db2.gz KDDKTEIUTBQIPG-UHFFFAOYSA-N 2 0 337.467 3.060 20 0 EGADRP CCCCCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364412133 457595846 /nfs/dbraw/zinc/59/58/46/457595846.db2.gz ZLEVDQFLUBZFIX-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)(CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCC1 ZINC000357571764 457600090 /nfs/dbraw/zinc/60/00/90/457600090.db2.gz MOZHFSWUMIJKFD-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000370526853 457665681 /nfs/dbraw/zinc/66/56/81/457665681.db2.gz GHIVZZOVZOJSIU-OALUTQOASA-N 2 0 349.519 3.298 20 0 EGADRP CN(CCC[NH+]1CCCCC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000361273435 457674405 /nfs/dbraw/zinc/67/44/05/457674405.db2.gz OJTVMQRYDFUXON-SFHVURJKSA-N 2 0 349.906 3.253 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCCc4ccccc43)C2)CC1 ZINC000370632837 457687185 /nfs/dbraw/zinc/68/71/85/457687185.db2.gz DGIBWXSECGRQEI-GHTZIAJQSA-N 2 0 327.516 3.212 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH2+]C1 ZINC000370842140 457727840 /nfs/dbraw/zinc/72/78/40/457727840.db2.gz DTWPAUDJQJFBAX-DYESRHJHSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000358026013 457743845 /nfs/dbraw/zinc/74/38/45/457743845.db2.gz UAZNQMCNLRRRCY-KSZLIROESA-N 2 0 346.515 3.201 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000433112797 457760708 /nfs/dbraw/zinc/76/07/08/457760708.db2.gz AMOQMLFJKVBJOC-SFHVURJKSA-N 2 0 349.906 3.207 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358085698 457776996 /nfs/dbraw/zinc/77/69/96/457776996.db2.gz NUNRMYDDOSTYBM-FUHIMQAGSA-N 2 0 332.536 3.460 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCC[C@H]1C ZINC000361542133 457782728 /nfs/dbraw/zinc/78/27/28/457782728.db2.gz WQHPXWQGIYWLHN-KURKYZTESA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000433223492 457783487 /nfs/dbraw/zinc/78/34/87/457783487.db2.gz PSDNYTJYTROGGA-IBGZPJMESA-N 2 0 325.456 3.380 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1O ZINC000426367962 457812765 /nfs/dbraw/zinc/81/27/65/457812765.db2.gz ZNCQOESVGFLIBG-INIZCTEOSA-N 2 0 334.504 3.434 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000375292055 457866531 /nfs/dbraw/zinc/86/65/31/457866531.db2.gz JTHBATROZNCEHQ-IFMALSPDSA-N 2 0 341.543 3.074 20 0 EGADRP CCOCCO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411392426 457872567 /nfs/dbraw/zinc/87/25/67/457872567.db2.gz CSGULBSELKXQNL-NRFANRHFSA-N 2 0 346.515 3.300 20 0 EGADRP C[N@H+](CCCn1ccnc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411427042 457884758 /nfs/dbraw/zinc/88/47/58/457884758.db2.gz QAMMLCRHYGCSCX-UHFFFAOYSA-N 2 0 326.488 3.391 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000358252717 457889126 /nfs/dbraw/zinc/88/91/26/457889126.db2.gz NTNNAHAREXBTIZ-HZPDHXFCSA-N 2 0 330.394 3.059 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2cccc(F)c2)C(C)(C)C)CC1 ZINC000411477400 457897320 /nfs/dbraw/zinc/89/73/20/457897320.db2.gz QDWNXWMWPZFAKD-LJQANCHMSA-N 2 0 349.494 3.103 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC000411620663 457930433 /nfs/dbraw/zinc/93/04/33/457930433.db2.gz QGGRHRKEXJCFEY-QFBILLFUSA-N 2 0 330.472 3.056 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCO[C@@H]2CCCCO2)CC1)CC1CC1 ZINC000444677108 457935052 /nfs/dbraw/zinc/93/50/52/457935052.db2.gz VMGYGXOATMLYIT-HXUWFJFHSA-N 2 0 338.536 3.364 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000434055875 457939067 /nfs/dbraw/zinc/93/90/67/457939067.db2.gz AQTWOIBMXDYUKA-UXHICEINSA-N 2 0 343.515 3.203 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)[C@@H](C)C1 ZINC000358341379 457945713 /nfs/dbraw/zinc/94/57/13/457945713.db2.gz NGPGXFABZGONAA-VKJFTORMSA-N 2 0 337.508 3.122 20 0 EGADRP c1ncc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411749190 457970925 /nfs/dbraw/zinc/97/09/25/457970925.db2.gz UYQRGZBJACCRIY-ZWKOTPCHSA-N 2 0 327.497 3.140 20 0 EGADRP Fc1ccc(-c2cc(CN3CC[C@@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000371763368 458063837 /nfs/dbraw/zinc/06/38/37/458063837.db2.gz YFCGYLAFWNHTLN-HNNXBMFYSA-N 2 0 329.419 3.398 20 0 EGADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435368805 458121019 /nfs/dbraw/zinc/12/10/19/458121019.db2.gz JDUNXXHGORWVOE-KRWDZBQOSA-N 2 0 347.466 3.105 20 0 EGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2ccccc2nc1N1CCCCC1 ZINC000435375217 458124576 /nfs/dbraw/zinc/12/45/76/458124576.db2.gz UCEVOBCVCGTPPT-IAGOWNOFSA-N 2 0 338.499 3.394 20 0 EGADRP CC(C)O[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000428366809 458127758 /nfs/dbraw/zinc/12/77/58/458127758.db2.gz ZSJWIZZIVPSMRL-PLACYPQZSA-N 2 0 346.515 3.336 20 0 EGADRP Cc1ccc(OCc2nc(CN3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000435378493 458128400 /nfs/dbraw/zinc/12/84/00/458128400.db2.gz IXPXDKNYQKHCNU-GJZGRUSLSA-N 2 0 331.485 3.200 20 0 EGADRP CN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1CC[NH2+]CC1 ZINC000435389231 458134670 /nfs/dbraw/zinc/13/46/70/458134670.db2.gz LKDVUJDIKLVYSZ-UHFFFAOYSA-N 2 0 347.466 3.118 20 0 EGADRP CCCCN(CC)C(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362428820 458169894 /nfs/dbraw/zinc/16/98/94/458169894.db2.gz DMMKQIVFEVFVMJ-HXUWFJFHSA-N 2 0 345.531 3.089 20 0 EGADRP CCN(CC(=O)Nc1ccccc1C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435628077 458176466 /nfs/dbraw/zinc/17/64/66/458176466.db2.gz PIJAYFWPGMFYHF-INIZCTEOSA-N 2 0 331.504 3.387 20 0 EGADRP [NH3+]CC1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCCC1 ZINC000435726787 458191649 /nfs/dbraw/zinc/19/16/49/458191649.db2.gz SBYDOHRIUSYHOC-UHFFFAOYSA-N 2 0 340.471 3.493 20 0 EGADRP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO[C@@H]1C1CC1 ZINC000372095511 458192071 /nfs/dbraw/zinc/19/20/71/458192071.db2.gz OSDBYDXNGWQXNZ-YADHBBJMSA-N 2 0 342.527 3.488 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000372095060 458192080 /nfs/dbraw/zinc/19/20/80/458192080.db2.gz MSPLZCKDMONHLK-NDXORKPFSA-N 2 0 346.515 3.483 20 0 EGADRP Cc1ncsc1CN(CCOc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435737246 458192516 /nfs/dbraw/zinc/19/25/16/458192516.db2.gz GIENGZNCDLNLRV-OAHLLOKOSA-N 2 0 349.475 3.081 20 0 EGADRP Cc1ncsc1CN(Cc1ccccc1N(C)C)C[C@H]1CC[NH2+]C1 ZINC000435737297 458192821 /nfs/dbraw/zinc/19/28/21/458192821.db2.gz GUMUZTONFUTOFV-INIZCTEOSA-N 2 0 344.528 3.129 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412407980 458196574 /nfs/dbraw/zinc/19/65/74/458196574.db2.gz GLQMQTADFRFUJO-FQEVSTJZSA-N 2 0 343.515 3.227 20 0 EGADRP CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000358780092 458213257 /nfs/dbraw/zinc/21/32/57/458213257.db2.gz WWVHRUGXFIWKEF-FHJLPGHOSA-N 2 0 340.577 3.453 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)CC1 ZINC000372199647 458229214 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XOQGZXUTROXUBH-RBSFLKMASA-N 2 0 329.488 3.332 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000423511203 458446890 /nfs/dbraw/zinc/44/68/90/458446890.db2.gz KATLOXQFLGNULM-CJNGLKHVSA-N 2 0 330.303 3.184 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000423517112 458449234 /nfs/dbraw/zinc/44/92/34/458449234.db2.gz ULOIRBDTNZTWDT-XNTOXWQXSA-N 3 0 327.516 3.147 20 0 EGADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423517086 458449296 /nfs/dbraw/zinc/44/92/96/458449296.db2.gz YNYFSUGBWJIXHK-FXAWDEMLSA-N 2 0 339.483 3.498 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531930 458453425 /nfs/dbraw/zinc/45/34/25/458453425.db2.gz QPBKXWCFOFXUPA-HLRQEUIKSA-N 2 0 335.495 3.167 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000423544309 458455674 /nfs/dbraw/zinc/45/56/74/458455674.db2.gz INVAQIPFEXBDHM-YMBUTIGBSA-N 2 0 342.483 3.146 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1F ZINC000423551127 458455755 /nfs/dbraw/zinc/45/57/55/458455755.db2.gz TXAAEMCTIAGBQI-VLXAULBPSA-N 2 0 326.843 3.144 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000423556776 458456682 /nfs/dbraw/zinc/45/66/82/458456682.db2.gz ZDGWWCLGXKCMHX-DENIHFKCSA-N 2 0 349.478 3.386 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000459729366 458459045 /nfs/dbraw/zinc/45/90/45/458459045.db2.gz JDOXAOHRRTYUGQ-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000430552845 458459870 /nfs/dbraw/zinc/45/98/70/458459870.db2.gz BVAGFUYBFCOHBD-UHFFFAOYSA-N 2 0 330.394 3.406 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000430580564 458465608 /nfs/dbraw/zinc/46/56/08/458465608.db2.gz MFBXHXBLKMUQRC-UHFFFAOYSA-N 2 0 328.456 3.048 20 0 EGADRP CC(C)[C@](C)(CN)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000430583295 458466405 /nfs/dbraw/zinc/46/64/05/458466405.db2.gz XMVGMMBRDDBIMA-HNNXBMFYSA-N 2 0 332.275 3.285 20 0 EGADRP OC1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCCC1 ZINC000437575380 458468951 /nfs/dbraw/zinc/46/89/51/458468951.db2.gz ASMRDOMXIWAVSM-HXUWFJFHSA-N 2 0 328.500 3.280 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000430772467 458490425 /nfs/dbraw/zinc/49/04/25/458490425.db2.gz BMWFYRYDFMBEEN-NEWSRXKRSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000437848317 458501816 /nfs/dbraw/zinc/50/18/16/458501816.db2.gz TUSBPRKIMFZDAW-MJQMVNBJSA-N 2 0 335.536 3.161 20 0 EGADRP c1ccc(COc2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2)nc1 ZINC000430927591 458506545 /nfs/dbraw/zinc/50/65/45/458506545.db2.gz IYQZZNBEFCWHRA-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3CCC[C@H]32)cc1 ZINC000453117526 458518963 /nfs/dbraw/zinc/51/89/63/458518963.db2.gz JJYZJWHODOODJB-ZWMUSQMVSA-N 2 0 326.484 3.339 20 0 EGADRP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCc2ccccc2C1 ZINC000431077552 458526220 /nfs/dbraw/zinc/52/62/20/458526220.db2.gz PBVVJGYRTWXMNQ-MRXNPFEDSA-N 2 0 328.460 3.033 20 0 EGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000373602675 458547649 /nfs/dbraw/zinc/54/76/49/458547649.db2.gz GDSLVQSVYQXRTK-VNQPRFMTSA-N 2 0 342.405 3.089 20 0 EGADRP [NH3+][C@H](CCC(=O)Nc1c[nH+]ccc1-n1ccnc1)CC1CCCCC1 ZINC000424141069 458569170 /nfs/dbraw/zinc/56/91/70/458569170.db2.gz GQNWEQCGIFCCRK-MRXNPFEDSA-N 2 0 341.459 3.284 20 0 EGADRP CC1CC[NH+](CCN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000493868716 458592199 /nfs/dbraw/zinc/59/21/99/458592199.db2.gz AAKAFMZJWMHWLA-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438546583 458594431 /nfs/dbraw/zinc/59/44/31/458594431.db2.gz PVYRVCCLEUVSIY-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH2+]CCC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000469857513 458597382 /nfs/dbraw/zinc/59/73/82/458597382.db2.gz ZJRVQVZBUQXBCV-UHFFFAOYSA-N 3 0 331.548 3.466 20 0 EGADRP CC(C)(CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000431657317 458601869 /nfs/dbraw/zinc/60/18/69/458601869.db2.gz BLEJKTYLPRPDRD-GOSISDBHSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CCOc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC000424284209 458604328 /nfs/dbraw/zinc/60/43/28/458604328.db2.gz DCDAUVNMSKIUOL-ZDUSSCGKSA-N 2 0 326.843 3.322 20 0 EGADRP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000493988817 458611163 /nfs/dbraw/zinc/61/11/63/458611163.db2.gz LLBTZIAZSWIFKX-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000494000257 458614559 /nfs/dbraw/zinc/61/45/59/458614559.db2.gz PNZPCBAKNSHHOT-IHEQNBGGSA-N 2 0 343.515 3.027 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431746007 458617218 /nfs/dbraw/zinc/61/72/18/458617218.db2.gz STMGCBAHXHIUFU-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP COc1ccc(OC(F)F)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424386464 458631094 /nfs/dbraw/zinc/63/10/94/458631094.db2.gz XCJNWUNBAAIXAQ-CYBMUJFWSA-N 2 0 340.414 3.261 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000424440299 458645187 /nfs/dbraw/zinc/64/51/87/458645187.db2.gz UHASWGGMKUVBLB-INIZCTEOSA-N 2 0 340.471 3.096 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470979802 458671748 /nfs/dbraw/zinc/67/17/48/458671748.db2.gz PAQPROYINHMTCQ-HOCLYGCPSA-N 2 0 349.906 3.331 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000471595309 458702380 /nfs/dbraw/zinc/70/23/80/458702380.db2.gz SQFOQRISLJVKKZ-HZPDHXFCSA-N 2 0 335.561 3.304 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000530216387 458719075 /nfs/dbraw/zinc/71/90/75/458719075.db2.gz BDBFAQDOCRSZEJ-NRSPTQNISA-N 2 0 342.458 3.058 20 0 EGADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc12 ZINC000432358688 458723738 /nfs/dbraw/zinc/72/37/38/458723738.db2.gz NFDXHBWDAVTJGT-QGZVFWFLSA-N 2 0 342.483 3.439 20 0 EGADRP C[C@H](C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000494660848 458725059 /nfs/dbraw/zinc/72/50/59/458725059.db2.gz ZDCIDPOYZBEKGR-JJXSEGSLSA-N 2 0 327.513 3.141 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530231349 458725395 /nfs/dbraw/zinc/72/53/95/458725395.db2.gz POPFKLJBFUJCRH-KMFTYDHNSA-N 2 0 330.516 3.397 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2c1C ZINC000547436109 458738875 /nfs/dbraw/zinc/73/88/75/458738875.db2.gz VTAHHDCLEVSPMR-LEWJYISDSA-N 2 0 341.499 3.252 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2c1C ZINC000547436112 458739177 /nfs/dbraw/zinc/73/91/77/458739177.db2.gz VTAHHDCLEVSPMR-SFTDATJTSA-N 2 0 341.499 3.252 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2C)c1 ZINC000471962578 458756361 /nfs/dbraw/zinc/75/63/61/458756361.db2.gz DZKMBMHROCNJJF-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439954836 458768198 /nfs/dbraw/zinc/76/81/98/458768198.db2.gz ADQFXMZHMQBQEA-IBGZPJMESA-N 2 0 335.536 3.166 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000439956519 458769590 /nfs/dbraw/zinc/76/95/90/458769590.db2.gz MIFMPPWQXTTWDM-XLIONFOSSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)COc1cccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000472149994 458769982 /nfs/dbraw/zinc/76/99/82/458769982.db2.gz AIJZKJKRVUXZQJ-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000495061643 458791339 /nfs/dbraw/zinc/79/13/39/458791339.db2.gz UQTAAIWWCHPQFS-NQIIRXRSSA-N 2 0 329.532 3.452 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495351698 458840237 /nfs/dbraw/zinc/84/02/37/458840237.db2.gz HHMIQEGHRHLKGZ-LSDHHAIUSA-N 2 0 327.513 3.094 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000518349114 458859277 /nfs/dbraw/zinc/85/92/77/458859277.db2.gz TVZXXSSSILUNGD-YJBOKZPZSA-N 2 0 347.484 3.121 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223310 458903261 /nfs/dbraw/zinc/90/32/61/458903261.db2.gz GSPVJVLLQKVHDE-FXAWDEMLSA-N 2 0 349.478 3.348 20 0 EGADRP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000474889230 458905393 /nfs/dbraw/zinc/90/53/93/458905393.db2.gz RSOMRYPZEWVCQB-UXHICEINSA-N 2 0 345.531 3.282 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3COc4ccccc4C3)C2)cc1 ZINC000556075664 458925759 /nfs/dbraw/zinc/92/57/59/458925759.db2.gz BVGTXNZEVJOSIC-FPOVZHCZSA-N 2 0 336.479 3.144 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576864179 458937477 /nfs/dbraw/zinc/93/74/77/458937477.db2.gz PYDYTHMSFQMBJZ-NQIIRXRSSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495743018 458937735 /nfs/dbraw/zinc/93/77/35/458937735.db2.gz BGQXFYWJVGZKTL-AWEZNQCLSA-N 2 0 339.524 3.094 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000519529870 458956957 /nfs/dbraw/zinc/95/69/57/458956957.db2.gz YHGCMLDZXHPUKI-NVXWUHKLSA-N 2 0 344.503 3.181 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000531683403 458958617 /nfs/dbraw/zinc/95/86/17/458958617.db2.gz JKCYNFAFJNZALF-OXQOHEQNSA-N 2 0 328.456 3.426 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879756 458990337 /nfs/dbraw/zinc/99/03/37/458990337.db2.gz WJMDGWMZICUPKC-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000467867375 458990291 /nfs/dbraw/zinc/99/02/91/458990291.db2.gz OIWGSMYQGSFTLX-FUHWJXTLSA-N 2 0 345.531 3.222 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)c1 ZINC000531958370 459008225 /nfs/dbraw/zinc/00/82/25/459008225.db2.gz SGKBIYFJBQPBBC-UHFFFAOYSA-N 2 0 344.421 3.464 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556870156 459025229 /nfs/dbraw/zinc/02/52/29/459025229.db2.gz DTVZKTBYCPHRAE-ZDFPQIBNSA-N 2 0 342.527 3.428 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556876612 459025379 /nfs/dbraw/zinc/02/53/79/459025379.db2.gz CTYNAVUBSYGLLS-PYCJISIWSA-N 2 0 342.527 3.428 20 0 EGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000577400625 459029045 /nfs/dbraw/zinc/02/90/45/459029045.db2.gz QNYOPQSFHNJJNR-FQEVSTJZSA-N 2 0 343.515 3.211 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000556963712 459038976 /nfs/dbraw/zinc/03/89/76/459038976.db2.gz YNSKSLYXWXRVFQ-VQTJNVASSA-N 2 0 332.488 3.194 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000442918534 459060232 /nfs/dbraw/zinc/06/02/32/459060232.db2.gz HETXZYIQBUYZNI-ZDUSSCGKSA-N 2 0 345.468 3.100 20 0 EGADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000557316709 459063842 /nfs/dbraw/zinc/06/38/42/459063842.db2.gz HCPGPDZOQAVYAB-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc3cc[nH]c32)c2ccccc2)CC1 ZINC000590073939 459077455 /nfs/dbraw/zinc/07/74/55/459077455.db2.gz RIQAMAYIWNKEKJ-NRFANRHFSA-N 2 0 348.494 3.246 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058288 459079484 /nfs/dbraw/zinc/07/94/84/459079484.db2.gz JWTXZNFDJFGAHC-CHWSQXEVSA-N 2 0 343.393 3.093 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000443064975 459082859 /nfs/dbraw/zinc/08/28/59/459082859.db2.gz ZEUXGOXJZSZXLM-HNNXBMFYSA-N 2 0 342.462 3.061 20 0 EGADRP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064794 459083214 /nfs/dbraw/zinc/08/32/14/459083214.db2.gz YWSVGHUYFYXCMN-ZFWWWQNUSA-N 2 0 348.878 3.436 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065170 459083326 /nfs/dbraw/zinc/08/33/26/459083326.db2.gz ZMHVPGPHFXGGCS-JKSUJKDBSA-N 2 0 331.504 3.199 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C1 ZINC000520762763 459092527 /nfs/dbraw/zinc/09/25/27/459092527.db2.gz QHVUFUHZINXLFY-DOTOQJQBSA-N 2 0 335.517 3.129 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532480948 459096804 /nfs/dbraw/zinc/09/68/04/459096804.db2.gz HWUMHKUSIVOGMB-CVEARBPZSA-N 2 0 329.488 3.342 20 0 EGADRP CC(C)OC(=O)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000594621809 459117232 /nfs/dbraw/zinc/11/72/32/459117232.db2.gz AIFCTBULRKWWSL-SFHVURJKSA-N 2 0 333.476 3.006 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000577948026 459122182 /nfs/dbraw/zinc/12/21/82/459122182.db2.gz LKTCUEORHWJRKC-NQIIRXRSSA-N 2 0 326.484 3.065 20 0 EGADRP C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000479609635 459153013 /nfs/dbraw/zinc/15/30/13/459153013.db2.gz BUATXPVJVXPMSL-LBPRGKRZSA-N 2 0 349.828 3.380 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]1 ZINC000578500441 459211410 /nfs/dbraw/zinc/21/14/10/459211410.db2.gz JLBRSYDDMSYBDU-QFBILLFUSA-N 2 0 347.466 3.164 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCCCC2)[C@@H](C)C1 ZINC000480694389 459213461 /nfs/dbraw/zinc/21/34/61/459213461.db2.gz PALOPKSFYKVVSQ-ROUUACIJSA-N 2 0 326.525 3.062 20 0 EGADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724540 459215694 /nfs/dbraw/zinc/21/56/94/459215694.db2.gz VTIAUQCHFMNVMG-YCPHGPKFSA-N 2 0 341.421 3.214 20 0 EGADRP CC(C)c1ccc(C[NH+]2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000559321056 459251869 /nfs/dbraw/zinc/25/18/69/459251869.db2.gz SPQQITYTLAAQAP-OAQYLSRUSA-N 2 0 329.532 3.412 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000560002396 459292034 /nfs/dbraw/zinc/29/20/34/459292034.db2.gz HNNVCKVYOXOMDV-RTWAWAEBSA-N 2 0 329.532 3.487 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000534347206 459319322 /nfs/dbraw/zinc/31/93/22/459319322.db2.gz ZMBRJUJSSMPSBK-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP CC(C)c1[nH+]c(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2ccccn21 ZINC000568634239 459320906 /nfs/dbraw/zinc/32/09/06/459320906.db2.gz HCMCGYSUCYZBFK-WMZOPIPTSA-N 2 0 326.488 3.374 20 0 EGADRP Cc1cc(C)c([C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)c1 ZINC000560448625 459347677 /nfs/dbraw/zinc/34/76/77/459347677.db2.gz CVAYZOSWVQRSNJ-SFHVURJKSA-N 2 0 345.531 3.063 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000582373419 459356222 /nfs/dbraw/zinc/35/62/22/459356222.db2.gz SATRZUCLGFTBTD-HXUWFJFHSA-N 2 0 336.495 3.173 20 0 EGADRP C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524594215 459373056 /nfs/dbraw/zinc/37/30/56/459373056.db2.gz HRJPKSIWVHRDOJ-UYAOXDASSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(N2CCOC2=O)c1 ZINC000496929981 459375796 /nfs/dbraw/zinc/37/57/96/459375796.db2.gz ZNACYZFZQNAIGT-BZUAXINKSA-N 2 0 331.460 3.059 20 0 EGADRP COc1cccc(Oc2ncccc2CN[C@H]2CCC[NH2+]CC2)c1 ZINC000582534111 459381252 /nfs/dbraw/zinc/38/12/52/459381252.db2.gz NHVVDKRPFKEBHJ-INIZCTEOSA-N 2 0 327.428 3.114 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2ccccc21 ZINC000591582349 459407125 /nfs/dbraw/zinc/40/71/25/459407125.db2.gz JXOBGDZLZMNMGX-KFKAGJAMSA-N 2 0 342.483 3.433 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000525173133 459423763 /nfs/dbraw/zinc/42/37/63/459423763.db2.gz GYKCCVKFNKIKJU-TZIWHRDSSA-N 2 0 329.532 3.108 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000561291847 459440212 /nfs/dbraw/zinc/44/02/12/459440212.db2.gz HENQTXVFYQJHRX-RZUBCFFCSA-N 2 0 343.559 3.213 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000561396351 459449145 /nfs/dbraw/zinc/44/91/45/459449145.db2.gz HNABQVVNVZXLDI-ROUUACIJSA-N 2 0 332.488 3.400 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2CC[NH+](CC)CC2)cc1 ZINC000561485717 459457605 /nfs/dbraw/zinc/45/76/05/459457605.db2.gz FRIPVEFJBZXJKT-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000569475226 459459373 /nfs/dbraw/zinc/45/93/73/459459373.db2.gz AIPYYRKLRLQAQY-INIZCTEOSA-N 2 0 335.467 3.030 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495592 459461506 /nfs/dbraw/zinc/46/15/06/459461506.db2.gz HHPATHVIQKDGSI-HZPDHXFCSA-N 2 0 339.439 3.229 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1Cl ZINC000541886236 459505767 /nfs/dbraw/zinc/50/57/67/459505767.db2.gz UEBFRFCKGSESNL-SFHVURJKSA-N 2 0 335.923 3.249 20 0 EGADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000583316441 459520207 /nfs/dbraw/zinc/52/02/07/459520207.db2.gz DVBVSPFTNZCCCS-SUNKGSAMSA-N 2 0 332.414 3.101 20 0 EGADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)CC2 ZINC000526001650 459529460 /nfs/dbraw/zinc/52/94/60/459529460.db2.gz UELYFNOALPQBQB-OAHLLOKOSA-N 2 0 346.519 3.019 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569961349 459538778 /nfs/dbraw/zinc/53/87/78/459538778.db2.gz MIIREQYQBZGAAG-SFTDATJTSA-N 2 0 348.531 3.054 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000562473738 459569057 /nfs/dbraw/zinc/56/90/57/459569057.db2.gz JNHJBDSNGZOEJR-VQTJNVASSA-N 2 0 329.532 3.385 20 0 EGADRP CC1=CC[C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000572861926 459587685 /nfs/dbraw/zinc/58/76/85/459587685.db2.gz GSJGGKGAYQKDFZ-LEWJYISDSA-N 2 0 327.516 3.454 20 0 EGADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000572929192 459595964 /nfs/dbraw/zinc/59/59/64/459595964.db2.gz SAYCZRKCMGXJFA-PJVZLEMVSA-N 2 0 332.536 3.402 20 0 EGADRP CC(C)CCc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000527376750 459638371 /nfs/dbraw/zinc/63/83/71/459638371.db2.gz XRAXLPKBKLXUTO-UHFFFAOYSA-N 2 0 348.535 3.232 20 0 EGADRP Fc1cccc(-c2noc([C@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000562836218 459657799 /nfs/dbraw/zinc/65/77/99/459657799.db2.gz XKVPSBBJGWRAEX-HOCLYGCPSA-N 2 0 344.434 3.055 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000573436739 459677631 /nfs/dbraw/zinc/67/76/31/459677631.db2.gz FUSZTMWYMIYBFG-ATZDWAIDSA-N 2 0 335.923 3.455 20 0 EGADRP COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc(C(F)(F)F)c1 ZINC000527649001 459684590 /nfs/dbraw/zinc/68/45/90/459684590.db2.gz MHQWBCVXPSSCOQ-GFCCVEGCSA-N 2 0 327.350 3.336 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)c2ccccc2)CC1 ZINC000527654032 459685166 /nfs/dbraw/zinc/68/51/66/459685166.db2.gz PLOOELGOBHWHDW-QFIPXVFZSA-N 2 0 348.494 3.246 20 0 EGADRP C[C@@H](NC(=O)c1ccccc1Oc1ccncc1)C1=CC[N@H+](C)CC1 ZINC000573507549 459689245 /nfs/dbraw/zinc/68/92/45/459689245.db2.gz HTPNQJPMZGXVFZ-OAHLLOKOSA-N 2 0 337.423 3.254 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)CC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000562995286 459690083 /nfs/dbraw/zinc/69/00/83/459690083.db2.gz BNVDQKVYJGZWAP-HYVNUMGLSA-N 2 0 344.421 3.190 20 0 EGADRP C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)SC1CCCCC1 ZINC000501136402 459713694 /nfs/dbraw/zinc/71/36/94/459713694.db2.gz RYJOGKNQDKZYEV-UHFFFAOYSA-N 2 0 340.577 3.487 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000563115201 459718645 /nfs/dbraw/zinc/71/86/45/459718645.db2.gz NUYXAFCITFMRSS-IEBWSBKVSA-N 2 0 331.504 3.164 20 0 EGADRP COc1c(Br)cccc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000563136290 459722971 /nfs/dbraw/zinc/72/29/71/459722971.db2.gz XECMURKDOFJTFC-UHFFFAOYSA-N 2 0 335.245 3.206 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000501438392 459728215 /nfs/dbraw/zinc/72/82/15/459728215.db2.gz TWXSROPGDBEGQP-IRXDYDNUSA-N 2 0 334.504 3.237 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000573815383 459740432 /nfs/dbraw/zinc/74/04/32/459740432.db2.gz PUEJYFRIQWXFDM-FNHZYXHNSA-N 2 0 338.455 3.254 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527845101 459757077 /nfs/dbraw/zinc/75/70/77/459757077.db2.gz CCEIWKSQRZDINX-PXNSSMCTSA-N 2 0 327.516 3.102 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527854804 459759992 /nfs/dbraw/zinc/75/99/92/459759992.db2.gz XEDAOPWWHGHXSG-ACJLOTCBSA-N 2 0 339.886 3.082 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000566115451 459808903 /nfs/dbraw/zinc/80/89/03/459808903.db2.gz JGJSHDHPHDYIDA-PVAVHDDUSA-N 2 0 344.421 3.190 20 0 EGADRP C[C@@H]1CC2(CN1C(=O)CC[C@H]([NH3+])CC1CCCCC1)CC[NH2+]CC2 ZINC000574564486 459834454 /nfs/dbraw/zinc/83/44/54/459834454.db2.gz RJKMHFZUYUQYKT-AEFFLSMTSA-N 2 0 335.536 3.055 20 0 EGADRP COc1cc(F)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000566339615 459845472 /nfs/dbraw/zinc/84/54/72/459845472.db2.gz XXHLZYUSRYNYTO-HNNXBMFYSA-N 2 0 336.451 3.007 20 0 EGADRP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000574792267 459873041 /nfs/dbraw/zinc/87/30/41/459873041.db2.gz XZBMHKRCTNIFNN-MHTWAQMVSA-N 2 0 330.516 3.428 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)C1 ZINC000574972849 459901792 /nfs/dbraw/zinc/90/17/92/459901792.db2.gz OUAVCWLWSICNDQ-HOCLYGCPSA-N 2 0 349.475 3.154 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c4ccccc34)C2)CC1 ZINC000602463465 459949855 /nfs/dbraw/zinc/94/98/55/459949855.db2.gz GGZBHSYIHLCORE-SFHVURJKSA-N 2 0 341.474 3.191 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000575368293 459965356 /nfs/dbraw/zinc/96/53/56/459965356.db2.gz PIQFQDHSUVEYSQ-WMLDXEAASA-N 2 0 334.533 3.166 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000621642372 459994563 /nfs/dbraw/zinc/99/45/63/459994563.db2.gz LJOYQVRNUUJKSE-QGZVFWFLSA-N 2 0 329.488 3.391 20 0 EGADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000575934327 460036339 /nfs/dbraw/zinc/03/63/39/460036339.db2.gz JVIRYHPKJPZHLM-INIZCTEOSA-N 2 0 340.471 3.110 20 0 EGADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250411 460097547 /nfs/dbraw/zinc/09/75/47/460097547.db2.gz GHABANNRJAGQNU-FQEVSTJZSA-N 2 0 345.531 3.074 20 0 EGADRP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000589743161 460134729 /nfs/dbraw/zinc/13/47/29/460134729.db2.gz AALIKDQBITYHEK-IEBWSBKVSA-N 2 0 344.499 3.363 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000576457682 460145021 /nfs/dbraw/zinc/14/50/21/460145021.db2.gz PQCKEXNJKPHBIY-HNNXBMFYSA-N 2 0 337.895 3.236 20 0 EGADRP CC(C)(CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000622554183 460277495 /nfs/dbraw/zinc/27/74/95/460277495.db2.gz ORAVRKGUBUUORO-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000603336771 460286680 /nfs/dbraw/zinc/28/66/80/460286680.db2.gz PAQOYSXQUXPKMS-QGZVFWFLSA-N 2 0 345.531 3.377 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000615603821 460355257 /nfs/dbraw/zinc/35/52/57/460355257.db2.gz PNSGVNRZDSVRPW-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000626062605 460358632 /nfs/dbraw/zinc/35/86/32/460358632.db2.gz ZAZHEIXXGGNWIY-KRWDZBQOSA-N 2 0 345.531 3.408 20 0 EGADRP c1cnc2c(c1)[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCC2 ZINC000631570673 460448221 /nfs/dbraw/zinc/44/82/21/460448221.db2.gz XJVAEXKYDQAHEB-NRFANRHFSA-N 2 0 337.467 3.081 20 0 EGADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000631584722 460457685 /nfs/dbraw/zinc/45/76/85/460457685.db2.gz HTFLMYZXMBVPPJ-KRWDZBQOSA-N 2 0 342.531 3.105 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1OC(F)F ZINC000634733147 460497841 /nfs/dbraw/zinc/49/78/41/460497841.db2.gz XVPBXYAAOLMOHK-ZDUSSCGKSA-N 2 0 328.403 3.164 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733174 460497951 /nfs/dbraw/zinc/49/79/51/460497951.db2.gz YVTXOWJLIBIEAX-KRWDZBQOSA-N 2 0 326.488 3.357 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000634732407 460498587 /nfs/dbraw/zinc/49/85/87/460498587.db2.gz FVQYWOBLAACQJQ-HXUWFJFHSA-N 2 0 347.522 3.200 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH+](C)C2)cc1)C(C)C ZINC000628747927 460524472 /nfs/dbraw/zinc/52/44/72/460524472.db2.gz CXLJFTIJLFWGCN-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635302906 460739028 /nfs/dbraw/zinc/73/90/28/460739028.db2.gz FSWWGHHGZLSMMK-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623854205 460744769 /nfs/dbraw/zinc/74/47/69/460744769.db2.gz VLNWJYFABFXSGB-CYBMUJFWSA-N 2 0 347.400 3.133 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635338800 460749455 /nfs/dbraw/zinc/74/94/55/460749455.db2.gz ZUBTVGKXZJMWEW-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP Cc1cn2ccc(C(=O)N3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)cc2n1 ZINC000635451474 460791124 /nfs/dbraw/zinc/79/11/24/460791124.db2.gz RZNNCZMMECUDSH-BQFCYCMXSA-N 2 0 340.471 3.120 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629539984 460801467 /nfs/dbraw/zinc/80/14/67/460801467.db2.gz SVRWGMKEFVQQBN-CMKODMSKSA-N 2 0 331.504 3.232 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351302 460825509 /nfs/dbraw/zinc/82/55/09/460825509.db2.gz IMPAZOWLEJVRCE-MSOLQXFVSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121897 460870689 /nfs/dbraw/zinc/87/06/89/460870689.db2.gz FUYJFGMVLPPGCO-ICSRJNTNSA-N 2 0 341.503 3.039 20 0 EGADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000632893297 460872741 /nfs/dbraw/zinc/87/27/41/460872741.db2.gz SQAZMEHTILTWLF-RDJZCZTQSA-N 2 0 344.503 3.405 20 0 EGADRP C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000624123446 460873238 /nfs/dbraw/zinc/87/32/38/460873238.db2.gz MASPYHVBNLZFAU-NWDGAFQWSA-N 2 0 344.272 3.366 20 0 EGADRP Cn1nc(C(F)(F)F)cc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000629721907 460887916 /nfs/dbraw/zinc/88/79/16/460887916.db2.gz HPZOEDJPHMUXNI-UHFFFAOYSA-N 2 0 338.377 3.029 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000632953010 460904648 /nfs/dbraw/zinc/90/46/48/460904648.db2.gz NTUMKIXITOKRAA-UHFFFAOYSA-N 2 0 342.487 3.162 20 0 EGADRP CN(CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)CC(F)F ZINC000624328631 460961286 /nfs/dbraw/zinc/96/12/86/460961286.db2.gz XXQSYXHEHQTHHB-UHFFFAOYSA-N 2 0 339.474 3.216 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C34CCC[NH+](CCC3)C4)ccc21 ZINC000635997429 461003123 /nfs/dbraw/zinc/00/31/23/461003123.db2.gz WMJUTMFVNUMZTF-GOSISDBHSA-N 2 0 327.472 3.050 20 0 EGADRP C[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000636077014 461032757 /nfs/dbraw/zinc/03/27/57/461032757.db2.gz JYUCVIVAIXJNHW-OAHLLOKOSA-N 2 0 335.517 3.153 20 0 EGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCC[NH+](C)C ZINC000608482957 461072260 /nfs/dbraw/zinc/07/22/60/461072260.db2.gz XGYPEHMQZBPLAQ-FQEVSTJZSA-N 2 0 345.531 3.089 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cc2)n1 ZINC000652355109 461151095 /nfs/dbraw/zinc/15/10/95/461151095.db2.gz PMBMHJTXNATPOE-MGPUTAFESA-N 2 0 326.488 3.438 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Cl)C1 ZINC000652363429 461156657 /nfs/dbraw/zinc/15/66/57/461156657.db2.gz DNILBPIDHITNMB-PVAVHDDUSA-N 2 0 326.843 3.340 20 0 EGADRP Cc1ncc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)n1C ZINC000668178151 461162013 /nfs/dbraw/zinc/16/20/13/461162013.db2.gz OKMZXKZUOBCTDB-UHFFFAOYSA-N 2 0 328.391 3.388 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)on2)cc1 ZINC000662283816 461165055 /nfs/dbraw/zinc/16/50/55/461165055.db2.gz QDPDVYJYNXKUDC-HNNXBMFYSA-N 2 0 341.455 3.314 20 0 EGADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CCOCC1 ZINC000637978485 461170061 /nfs/dbraw/zinc/17/00/61/461170061.db2.gz PIECMSGZIBGSGE-QWFCFKBJSA-N 2 0 338.536 3.014 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291515 461170690 /nfs/dbraw/zinc/17/06/90/461170690.db2.gz VUORVNFITUZIAE-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293228 461170778 /nfs/dbraw/zinc/17/07/78/461170778.db2.gz DNWSQMVJRNLPHB-WMZOPIPTSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297758 461174654 /nfs/dbraw/zinc/17/46/54/461174654.db2.gz RNXIJHRSVOONSP-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296185 461176695 /nfs/dbraw/zinc/17/66/95/461176695.db2.gz XJIMCELKQZBRAE-GOSISDBHSA-N 2 0 343.515 3.460 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1CCC[NH3+] ZINC000662316778 461187568 /nfs/dbraw/zinc/18/75/68/461187568.db2.gz NPADWCUDIAHKBI-RDTXWAMCSA-N 2 0 348.441 3.490 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cncc(Br)c2)[C@@H]1CCC[NH3+] ZINC000662317283 461188091 /nfs/dbraw/zinc/18/80/91/461188091.db2.gz PPQZUGZNLOIUGT-IUODEOHRSA-N 2 0 326.282 3.184 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1CCC[NH3+] ZINC000662317920 461190059 /nfs/dbraw/zinc/19/00/59/461190059.db2.gz VRCBFYJHYDQIOL-RDTXWAMCSA-N 2 0 348.441 3.490 20 0 EGADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000662372615 461217822 /nfs/dbraw/zinc/21/78/22/461217822.db2.gz ZCVQFSYTJMTLGY-FQEVSTJZSA-N 2 0 339.483 3.029 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000662375212 461219092 /nfs/dbraw/zinc/21/90/92/461219092.db2.gz VPBQYUAPLGAFQE-RTWAWAEBSA-N 2 0 349.478 3.174 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662386222 461225711 /nfs/dbraw/zinc/22/57/11/461225711.db2.gz YODQFBFHKMQUSF-UHFFFAOYSA-N 2 0 337.467 3.060 20 0 EGADRP CCCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000646421050 461250215 /nfs/dbraw/zinc/25/02/15/461250215.db2.gz QCDQIFQSQMJFNN-IEBWSBKVSA-N 2 0 344.503 3.184 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655444038 461254079 /nfs/dbraw/zinc/25/40/79/461254079.db2.gz IBEAXKDKCYPXBK-OZOXKJRCSA-N 2 0 341.499 3.389 20 0 EGADRP C[C@H]1C[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137769 461264337 /nfs/dbraw/zinc/26/43/37/461264337.db2.gz NJCABWBLWOROOC-WSWWRLHASA-N 2 0 341.543 3.138 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1)C(C)C ZINC000646481545 461289621 /nfs/dbraw/zinc/28/96/21/461289621.db2.gz OOOTXJOUJKDYGN-VQIMIIECSA-N 2 0 331.504 3.082 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662593757 461310393 /nfs/dbraw/zinc/31/03/93/461310393.db2.gz QFSMUOICTDLZOK-ZWKOTPCHSA-N 2 0 337.552 3.301 20 0 EGADRP C[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000659376114 461319821 /nfs/dbraw/zinc/31/98/21/461319821.db2.gz SWWYSSYPJNDXFF-BHIYHBOVSA-N 2 0 337.552 3.430 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000638330135 461373251 /nfs/dbraw/zinc/37/32/51/461373251.db2.gz QJZJAZNIMXDJLJ-NHCUHLMSSA-N 2 0 346.515 3.060 20 0 EGADRP COCc1cccc(OCC2(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)CCC2)c1 ZINC000641803000 461380045 /nfs/dbraw/zinc/38/00/45/461380045.db2.gz QRXCAODHDYPOKT-MSOLQXFVSA-N 2 0 332.488 3.098 20 0 EGADRP C[C@@H]1[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000652870734 461393884 /nfs/dbraw/zinc/39/38/84/461393884.db2.gz ILLGJXXIPDWLSF-CRAIPNDOSA-N 2 0 347.528 3.153 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638377457 461395567 /nfs/dbraw/zinc/39/55/67/461395567.db2.gz UWPGVHGWMDAHEQ-MRXNPFEDSA-N 2 0 334.504 3.360 20 0 EGADRP [NH3+][C@H](CCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)CC1CCCCC1 ZINC000663005551 461424892 /nfs/dbraw/zinc/42/48/92/461424892.db2.gz WFDGGYZQSJZGHE-VQTJNVASSA-N 2 0 349.563 3.303 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2csc3ccccc23)CC1 ZINC000638437730 461428259 /nfs/dbraw/zinc/42/82/59/461428259.db2.gz DYJLVKHAEYSRAH-UHFFFAOYSA-N 2 0 332.513 3.269 20 0 EGADRP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000666090687 461451912 /nfs/dbraw/zinc/45/19/12/461451912.db2.gz FAYLZSLWCCGGMW-CRAIPNDOSA-N 2 0 348.918 3.288 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000668820348 461452161 /nfs/dbraw/zinc/45/21/61/461452161.db2.gz UHVDQUJVLITELS-VQIMIIECSA-N 2 0 346.515 3.434 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638552502 461481019 /nfs/dbraw/zinc/48/10/19/461481019.db2.gz NZSBVVKJPSWYCY-CEWLAPEOSA-N 2 0 329.532 3.043 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)o1 ZINC000647023525 461485413 /nfs/dbraw/zinc/48/54/13/461485413.db2.gz PUZWDSLIOXETJR-UHFFFAOYSA-N 2 0 343.471 3.113 20 0 EGADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000655837293 461488058 /nfs/dbraw/zinc/48/80/58/461488058.db2.gz RXZAIOQRPOCMDA-SJORKVTESA-N 2 0 327.472 3.304 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631041083 461493129 /nfs/dbraw/zinc/49/31/29/461493129.db2.gz ITPPLJLIIHFXPX-INIZCTEOSA-N 2 0 325.456 3.451 20 0 EGADRP C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000655844189 461493915 /nfs/dbraw/zinc/49/39/15/461493915.db2.gz PLJGKUCPBMIWLJ-SFHVURJKSA-N 2 0 339.483 3.277 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631041052 461494471 /nfs/dbraw/zinc/49/44/71/461494471.db2.gz INYKCJHTUJITDU-UHFFFAOYSA-N 2 0 325.456 3.309 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000653105694 461503073 /nfs/dbraw/zinc/50/30/73/461503073.db2.gz GPHGLBGJFUTYET-DLBZAZTESA-N 2 0 349.544 3.027 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(CC[C@@H]([NH3+])c3ccccc3)n2)cc1 ZINC000647121306 461509323 /nfs/dbraw/zinc/50/93/23/461509323.db2.gz DICXYJZTWYYZGK-GOSISDBHSA-N 2 0 336.439 3.431 20 0 EGADRP C[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)CC[C@@H]1CCCC[NH+]1C ZINC000659959002 461516237 /nfs/dbraw/zinc/51/62/37/461516237.db2.gz BPCXGFATHHJQNX-YJBOKZPZSA-N 2 0 347.528 3.296 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000638729398 461552999 /nfs/dbraw/zinc/55/29/99/461552999.db2.gz PBSOTIQQFIEONO-KGLIPLIRSA-N 2 0 336.442 3.180 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638781529 461576645 /nfs/dbraw/zinc/57/66/45/461576645.db2.gz VONJJEWYXMFWAL-IIPCHUTBSA-N 2 0 339.527 3.427 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253360 461590917 /nfs/dbraw/zinc/59/09/17/461590917.db2.gz QZTWVOUBBUZUTL-PBHICJAKSA-N 2 0 335.517 3.186 20 0 EGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653252956 461591173 /nfs/dbraw/zinc/59/11/73/461591173.db2.gz AJZXFMZTKZEFAM-MRXNPFEDSA-N 2 0 347.528 3.203 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253602 461593695 /nfs/dbraw/zinc/59/36/95/461593695.db2.gz YRPNFXYAEWIVBG-ZWKOTPCHSA-N 2 0 347.528 3.201 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000643057129 461599293 /nfs/dbraw/zinc/59/92/93/461599293.db2.gz AGZZOPKCNDVAOU-YLJYHZDGSA-N 2 0 326.440 3.280 20 0 EGADRP CC(C)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000660156210 461611058 /nfs/dbraw/zinc/61/10/58/461611058.db2.gz QIIYXDDWEISSLG-RXVVDRJESA-N 2 0 329.532 3.268 20 0 EGADRP Cc1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc(C)n1 ZINC000660165454 461616868 /nfs/dbraw/zinc/61/68/68/461616868.db2.gz DWVHPIVZAMYXMN-UHFFFAOYSA-N 2 0 339.487 3.227 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1O ZINC000631196385 461636316 /nfs/dbraw/zinc/63/63/16/461636316.db2.gz QUNXWEXAXFSWRO-APWZRJJASA-N 2 0 340.467 3.259 20 0 EGADRP COc1cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccn1 ZINC000638969823 461661871 /nfs/dbraw/zinc/66/18/71/461661871.db2.gz IUTMFDIXPQEFOO-XYJFISCASA-N 2 0 331.504 3.264 20 0 EGADRP C[C@H](CCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638984190 461669878 /nfs/dbraw/zinc/66/98/78/461669878.db2.gz JPZFFYJWCOLBAQ-MRXNPFEDSA-N 2 0 338.455 3.014 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000656251905 461674379 /nfs/dbraw/zinc/67/43/79/461674379.db2.gz PDOTVSMOLCVZSN-UHFFFAOYSA-N 2 0 330.451 3.093 20 0 EGADRP C[NH2+]C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000663508520 461678602 /nfs/dbraw/zinc/67/86/02/461678602.db2.gz BZLJKAJFMIFLRM-HNNXBMFYSA-N 2 0 338.430 3.376 20 0 EGADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483737 461699285 /nfs/dbraw/zinc/69/92/85/461699285.db2.gz KMHQDKRUTIUUMG-SFHVURJKSA-N 2 0 346.519 3.030 20 0 EGADRP Clc1ccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000643457717 461733368 /nfs/dbraw/zinc/73/33/68/461733368.db2.gz ZKAMKQYPGFPMAJ-KZNAEPCWSA-N 2 0 347.890 3.111 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647496810 461734737 /nfs/dbraw/zinc/73/47/37/461734737.db2.gz UXZQBOPKLSAUGY-GDBMZVCRSA-N 2 0 338.455 3.393 20 0 EGADRP Cn1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(-c2cc3ccccc3o2)n1 ZINC000647505866 461738890 /nfs/dbraw/zinc/73/88/90/461738890.db2.gz KZGZCEFNORSOOF-UHFFFAOYSA-N 2 0 326.444 3.250 20 0 EGADRP CCc1nn(C)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000647532575 461750207 /nfs/dbraw/zinc/75/02/07/461750207.db2.gz IGJKNQSODIGHDL-NQIIRXRSSA-N 2 0 340.515 3.155 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533758 461754474 /nfs/dbraw/zinc/75/44/74/461754474.db2.gz DDJGYAHYGUOKGC-SWLSCSKDSA-N 2 0 328.485 3.306 20 0 EGADRP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543519 461756184 /nfs/dbraw/zinc/75/61/84/461756184.db2.gz ORGFPYDIKWFDGV-RBUKOAKNSA-N 2 0 338.499 3.392 20 0 EGADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542827 461756441 /nfs/dbraw/zinc/75/64/41/461756441.db2.gz CMOQXRADQWKDHI-UONOGXRCSA-N 2 0 327.394 3.312 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542876 461756744 /nfs/dbraw/zinc/75/67/44/461756744.db2.gz DHAVTLBAQNMMPX-JKSUJKDBSA-N 2 0 342.512 3.417 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000647543207 461756978 /nfs/dbraw/zinc/75/69/78/461756978.db2.gz JHQLLLHZLFVLRQ-HZPDHXFCSA-N 2 0 344.528 3.485 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647543726 461758965 /nfs/dbraw/zinc/75/89/65/461758965.db2.gz RMJCZYIJVSNBSN-HOTGVXAUSA-N 2 0 328.460 3.190 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643545808 461759067 /nfs/dbraw/zinc/75/90/67/461759067.db2.gz CMPFRUZXPPRBON-DZGCQCFKSA-N 2 0 327.472 3.242 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544292 461759488 /nfs/dbraw/zinc/75/94/88/461759488.db2.gz ZAQXSSLJXYROIY-MSOLQXFVSA-N 2 0 332.488 3.306 20 0 EGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549828 461762898 /nfs/dbraw/zinc/76/28/98/461762898.db2.gz SNZAPZVELUGWBC-LTIDMASMSA-N 2 0 334.529 3.401 20 0 EGADRP c1sc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1-c1ccncc1 ZINC000647550530 461763346 /nfs/dbraw/zinc/76/33/46/461763346.db2.gz WJEHVCCRBOPMAD-YESZJQIVSA-N 2 0 342.512 3.115 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000647551532 461765299 /nfs/dbraw/zinc/76/52/99/461765299.db2.gz TVVGWAHZCVBRKH-ATVPRXPUSA-N 2 0 346.862 3.429 20 0 EGADRP Cc1cnccc1OC1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660432524 461775956 /nfs/dbraw/zinc/77/59/56/461775956.db2.gz ZIYPNACHDLQMMM-CALCHBBNSA-N 2 0 331.504 3.211 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(Cl)cc1O ZINC000639177045 461782701 /nfs/dbraw/zinc/78/27/01/461782701.db2.gz OSJPGHVMVYWWCV-AWEZNQCLSA-N 2 0 338.879 3.218 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000639210751 461805233 /nfs/dbraw/zinc/80/52/33/461805233.db2.gz JAFAYHOWMCNVFA-SMDDNHRTSA-N 2 0 344.286 3.394 20 0 EGADRP C[NH2+]Cc1cccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000666811939 461813163 /nfs/dbraw/zinc/81/31/63/461813163.db2.gz PQRXCPKERLGORV-UHFFFAOYSA-N 2 0 339.483 3.493 20 0 EGADRP Cc1ccccc1-c1noc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000643895255 461832299 /nfs/dbraw/zinc/83/22/99/461832299.db2.gz MMFLXRQLXFQAJV-HNNXBMFYSA-N 2 0 326.444 3.009 20 0 EGADRP CC1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000647786252 461834279 /nfs/dbraw/zinc/83/42/79/461834279.db2.gz LQOAHXSXKQVJFQ-FNAHDJPLSA-N 2 0 341.543 3.437 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786606 461834299 /nfs/dbraw/zinc/83/42/99/461834299.db2.gz UEWLMPHZLHNRRD-DKKFBQAASA-N 2 0 331.479 3.081 20 0 EGADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000647786559 461834462 /nfs/dbraw/zinc/83/44/62/461834462.db2.gz ROKXACKEIGMOTM-KZNAEPCWSA-N 2 0 328.500 3.485 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC000647789778 461835282 /nfs/dbraw/zinc/83/52/82/461835282.db2.gz LHLZLRWJRSDNKX-GBESFXJTSA-N 2 0 328.500 3.021 20 0 EGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788456 461835344 /nfs/dbraw/zinc/83/53/44/461835344.db2.gz JWRSZVKYNAKINR-ADAARDCZSA-N 2 0 328.500 3.440 20 0 EGADRP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788102 461835423 /nfs/dbraw/zinc/83/54/23/461835423.db2.gz CJCQWQFNQJLJNT-COPLHBTASA-N 2 0 330.806 3.419 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(OCC(F)(F)F)c1 ZINC000647789021 461835486 /nfs/dbraw/zinc/83/54/86/461835486.db2.gz WZHDVHCCIXIURN-VNQPRFMTSA-N 2 0 342.405 3.414 20 0 EGADRP CO[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000669930975 461841232 /nfs/dbraw/zinc/84/12/32/461841232.db2.gz MICLYGZGFCCQAR-SFHVURJKSA-N 2 0 331.847 3.245 20 0 EGADRP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798813 461841678 /nfs/dbraw/zinc/84/16/78/461841678.db2.gz XTATWCCMXPTTHU-RRFJBIMHSA-N 2 0 330.863 3.003 20 0 EGADRP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798721 461842049 /nfs/dbraw/zinc/84/20/49/461842049.db2.gz WFJXOZVSVSCUOS-RYQLBKOJSA-N 2 0 331.504 3.374 20 0 EGADRP CC[N@H+](CCC[NH2+]C[C@H](OC)C1CCOCC1)C1CCCCC1 ZINC000639291898 461847369 /nfs/dbraw/zinc/84/73/69/461847369.db2.gz VNUXBQMLDYISHV-IBGZPJMESA-N 2 0 326.525 3.062 20 0 EGADRP COCC1(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CC[NH2+]CC1 ZINC000666894745 461857261 /nfs/dbraw/zinc/85/72/61/461857261.db2.gz CJNLBBDFXQKFHE-UHFFFAOYSA-N 2 0 348.821 3.047 20 0 EGADRP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639329135 461863813 /nfs/dbraw/zinc/86/38/13/461863813.db2.gz GTJNCNUIFNMPNF-IRFCIJBXSA-N 2 0 327.516 3.428 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647878079 461866566 /nfs/dbraw/zinc/86/65/66/461866566.db2.gz OMFYKADPAOEHKY-KRWDZBQOSA-N 2 0 335.455 3.449 20 0 EGADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000647880983 461869036 /nfs/dbraw/zinc/86/90/36/461869036.db2.gz NGJVLBAJOKYFBJ-AWEZNQCLSA-N 2 0 341.421 3.136 20 0 EGADRP O=C(Nc1cccc(F)c1)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647883840 461869588 /nfs/dbraw/zinc/86/95/88/461869588.db2.gz BZAYRSOWBSAJBH-UHFFFAOYSA-N 2 0 347.478 3.256 20 0 EGADRP Brc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c2ncccc12 ZINC000666953891 461886338 /nfs/dbraw/zinc/88/63/38/461886338.db2.gz KKLUGBJQLDLISV-OAHLLOKOSA-N 2 0 346.272 3.229 20 0 EGADRP COc1cc2c(c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c1)O[C@H](C)C2 ZINC000656784719 461894838 /nfs/dbraw/zinc/89/48/38/461894838.db2.gz GFTSLRKOKUJGPB-NVXWUHKLSA-N 2 0 344.499 3.230 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc(-c4ccco4)n3)C2)C1 ZINC000650706159 461899939 /nfs/dbraw/zinc/89/99/39/461899939.db2.gz FMVMQWIBEWWBGE-CPUCHLNUSA-N 2 0 347.484 3.121 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000650706504 461900350 /nfs/dbraw/zinc/90/03/50/461900350.db2.gz LYVXZKVXDKINLV-VVFCZOMOSA-N 2 0 332.419 3.290 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000650708059 461901721 /nfs/dbraw/zinc/90/17/21/461901721.db2.gz SQNAEQISYOTGRJ-YSVLISHTSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000650707546 461902406 /nfs/dbraw/zinc/90/24/06/461902406.db2.gz IJLGDGVOOZNDSS-CKEIUWERSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654991 461904714 /nfs/dbraw/zinc/90/47/14/461904714.db2.gz JXLQMSBCMFIGPQ-DNVCBOLYSA-N 2 0 326.444 3.215 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H]1CC[NH3+] 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XGDRKFLLYVDLLQ-MISYRCLQSA-N 2 0 325.456 3.096 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000650723958 461915800 /nfs/dbraw/zinc/91/58/00/461915800.db2.gz WDORLSGWNDZQKV-SZVBFZGTSA-N 2 0 332.419 3.433 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975211 461917059 /nfs/dbraw/zinc/91/70/59/461917059.db2.gz QIXMOMISUZKFOR-QZTJIDSGSA-N 2 0 343.515 3.460 20 0 EGADRP c1csc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976748 461919207 /nfs/dbraw/zinc/91/92/07/461919207.db2.gz SZVPSVATACJKMM-KBPBESRZSA-N 2 0 332.473 3.010 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647978893 461921095 /nfs/dbraw/zinc/92/10/95/461921095.db2.gz ZXQYTKKWVCQMKC-GBESFXJTSA-N 2 0 343.515 3.342 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000650762326 461940678 /nfs/dbraw/zinc/94/06/78/461940678.db2.gz ZYJXMLZONHOOML-RBUKOAKNSA-N 2 0 336.907 3.409 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650761920 461940733 /nfs/dbraw/zinc/94/07/33/461940733.db2.gz NPKFFUJORKYYBE-OAQYLSRUSA-N 2 0 339.483 3.353 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1cnc(C3CCCC3)s1)CCO2 ZINC000648071501 461968309 /nfs/dbraw/zinc/96/83/09/461968309.db2.gz FWDIQMYCGYTSND-UHFFFAOYSA-N 2 0 335.517 3.097 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000657296446 462024953 /nfs/dbraw/zinc/02/49/53/462024953.db2.gz HZZDIIIPVDIZNF-UHFFFAOYSA-N 2 0 326.488 3.429 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640099032 462257420 /nfs/dbraw/zinc/25/74/20/462257420.db2.gz HCOZTVKOMMTARY-AABGKKOBSA-N 2 0 325.456 3.306 20 0 EGADRP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657814044 462279151 /nfs/dbraw/zinc/27/91/51/462279151.db2.gz GJYZUBCOBDCVSB-OAQYLSRUSA-N 2 0 344.499 3.066 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000657839420 462290512 /nfs/dbraw/zinc/29/05/12/462290512.db2.gz UYAHJLAERIWVFK-GOSISDBHSA-N 2 0 342.487 3.228 20 0 EGADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000657885546 462307787 /nfs/dbraw/zinc/30/77/87/462307787.db2.gz FZWIHUMBPRNEAK-FQEVSTJZSA-N 2 0 330.516 3.309 20 0 EGADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000651787272 462335031 /nfs/dbraw/zinc/33/50/31/462335031.db2.gz KWKMTTQZRDHBLP-UHFFFAOYSA-N 2 0 338.499 3.453 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000665240570 462364563 /nfs/dbraw/zinc/36/45/63/462364563.db2.gz NTNMIYKQGLAFIN-NHCUHLMSSA-N 3 0 336.483 3.028 20 0 EGADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069767 462366161 /nfs/dbraw/zinc/36/61/61/462366161.db2.gz RHNPHJZLMKGTAL-FQEVSTJZSA-N 2 0 332.463 3.294 20 0 EGADRP c1ccc2c(c1)CCC([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658069855 462367980 /nfs/dbraw/zinc/36/79/80/462367980.db2.gz JVIGUJBTKMXUPE-UHFFFAOYSA-N 2 0 342.527 3.415 20 0 EGADRP CN(C(=O)CCC1CCCCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654774090 462378608 /nfs/dbraw/zinc/37/86/08/462378608.db2.gz VHNRNJYEGLSHNV-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640449972 462411163 /nfs/dbraw/zinc/41/11/63/462411163.db2.gz LYULWOZPPFYUIC-UHFFFAOYSA-N 2 0 346.519 3.023 20 0 EGADRP CCC1(CC)[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1OC ZINC000658164912 462414658 /nfs/dbraw/zinc/41/46/58/462414658.db2.gz GQRWPNGFARFROX-PMACEKPBSA-N 2 0 345.531 3.477 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC000654947226 462428832 /nfs/dbraw/zinc/42/88/32/462428832.db2.gz RPJCQKLTQGFINR-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141004 462447284 /nfs/dbraw/zinc/44/72/84/462447284.db2.gz CCXKGOOEPXSYSK-GOEBONIOSA-N 2 0 336.476 3.095 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649291285 462469825 /nfs/dbraw/zinc/46/98/25/462469825.db2.gz XLONILZPXJJGMW-IAGOWNOFSA-N 2 0 345.531 3.298 20 0 EGADRP C(=C\C[N@@H+]1CC[C@@H](c2cccnc2)C1)\C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645983217 462488449 /nfs/dbraw/zinc/48/84/49/462488449.db2.gz BBBFPWDJYZDHMS-LJLUTMTPSA-N 2 0 348.494 3.312 20 0 EGADRP Fc1ccc(CN2CCC[N@H+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411444 462502616 /nfs/dbraw/zinc/50/26/16/462502616.db2.gz YKBGDAYGCHPMET-UHFFFAOYSA-N 2 0 333.495 3.113 20 0 EGADRP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000649418542 462504398 /nfs/dbraw/zinc/50/43/98/462504398.db2.gz UWFUPHHIYLHGJY-DLBZAZTESA-N 2 0 325.456 3.472 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)c1 ZINC000133141443 534722481 /nfs/dbraw/zinc/72/24/81/534722481.db2.gz UJKRLSCFWZGYRO-DENIHFKCSA-N 2 0 342.527 3.407 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)N1CC[NH+](C)CC1 ZINC000132306285 528465498 /nfs/dbraw/zinc/46/54/98/528465498.db2.gz NRXJRKUMAKERTI-QZTJIDSGSA-N 2 0 333.545 3.085 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133156737 528593320 /nfs/dbraw/zinc/59/33/20/528593320.db2.gz FWJCKFBGGPEHMZ-SJORKVTESA-N 2 0 332.488 3.237 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@H](C)C1 ZINC000178706698 528664649 /nfs/dbraw/zinc/66/46/49/528664649.db2.gz LRSAFFAMMSSSHL-UYAOXDASSA-N 2 0 334.504 3.100 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC000191454071 529040175 /nfs/dbraw/zinc/04/01/75/529040175.db2.gz SYJUFRDGHTZFFR-MRXNPFEDSA-N 2 0 339.474 3.374 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246854843 534949789 /nfs/dbraw/zinc/94/97/89/534949789.db2.gz CRGOLICRHGGMCK-SJORKVTESA-N 2 0 329.488 3.196 20 0 EGADRP CCC[NH+]1CCC(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000126766436 546761765 /nfs/dbraw/zinc/76/17/65/546761765.db2.gz IBXNCHFEANJJGI-QGZVFWFLSA-N 2 0 335.561 3.424 20 0 EGADRP CSc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000151119922 546852033 /nfs/dbraw/zinc/85/20/33/546852033.db2.gz UWALGXBZTJPFPP-UHFFFAOYSA-N 2 0 329.469 3.005 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OCC ZINC000154923528 546897068 /nfs/dbraw/zinc/89/70/68/546897068.db2.gz BLRWEUJWNISQLD-INIZCTEOSA-N 2 0 334.504 3.346 20 0 EGADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000167254083 546991682 /nfs/dbraw/zinc/99/16/82/546991682.db2.gz NBDPTIQHSSGNED-KRWDZBQOSA-N 2 0 334.504 3.230 20 0 EGADRP CCc1nn(C)cc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000180633643 547059157 /nfs/dbraw/zinc/05/91/57/547059157.db2.gz CKUYXARJOXYFOL-QGZVFWFLSA-N 2 0 332.536 3.459 20 0 EGADRP CCCn1nccc1CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310064287 547461537 /nfs/dbraw/zinc/46/15/37/547461537.db2.gz AQYIUGJBHZAOBK-IBGZPJMESA-N 2 0 326.488 3.295 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000352089167 547680293 /nfs/dbraw/zinc/68/02/93/547680293.db2.gz HZAKMFQQEJNDTO-YQVWRLOYSA-N 2 0 348.535 3.016 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOCCOCc2ccccc2)c2ccccc21 ZINC000390469728 547828058 /nfs/dbraw/zinc/82/80/58/547828058.db2.gz BMQDAXBGTZBDCH-NHCUHLMSSA-N 2 0 340.467 3.344 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397496009 547834544 /nfs/dbraw/zinc/83/45/44/547834544.db2.gz AQILTYXLMUVXIW-FQEVSTJZSA-N 2 0 345.531 3.026 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414933943 547861944 /nfs/dbraw/zinc/86/19/44/547861944.db2.gz XJNNLMWDVXSQOU-AGIUHOORSA-N 2 0 343.393 3.282 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000670268606 548194393 /nfs/dbraw/zinc/19/43/93/548194393.db2.gz UEXWSRBIRRDZOO-KRWDZBQOSA-N 2 0 345.531 3.284 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000672623705 548454182 /nfs/dbraw/zinc/45/41/82/548454182.db2.gz DUILCPGOBMLHNX-INIZCTEOSA-N 2 0 346.519 3.109 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000675743104 548972577 /nfs/dbraw/zinc/97/25/77/548972577.db2.gz ZNCMOEXGMBWPAY-GOSISDBHSA-N 2 0 343.515 3.049 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000675775623 548979330 /nfs/dbraw/zinc/97/93/30/548979330.db2.gz HSGBUTQKDWIRSZ-HOTGVXAUSA-N 2 0 335.923 3.486 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(s1)CCCC2 ZINC000675876775 548995142 /nfs/dbraw/zinc/99/51/42/548995142.db2.gz ZRVDOYAFPUVJIA-NVXWUHKLSA-N 2 0 347.572 3.446 20 0 EGADRP C([NH+]1CCC[C@@H](C2CC2)C1)C1(C[N@@H+]2CCC[C@@H](C3CC3)C2)COC1 ZINC000677040853 549197613 /nfs/dbraw/zinc/19/76/13/549197613.db2.gz ZJKHVDHEFCSTHB-WOJBJXKFSA-N 2 0 332.532 3.247 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000678281985 549459240 /nfs/dbraw/zinc/45/92/40/549459240.db2.gz KOVDDQAVDJOLLQ-RTBURBONSA-N 2 0 334.529 3.487 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000678295659 549463499 /nfs/dbraw/zinc/46/34/99/549463499.db2.gz MZWSVUMQEDHWIS-UHFFFAOYSA-N 2 0 344.499 3.164 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)CC1 ZINC000678296104 549463628 /nfs/dbraw/zinc/46/36/28/549463628.db2.gz OMCGKLVOPYQBIY-UHFFFAOYSA-N 2 0 348.560 3.011 20 0 EGADRP C[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678722100 549548619 /nfs/dbraw/zinc/54/86/19/549548619.db2.gz TXKLYLAHTVRHBR-GOSISDBHSA-N 2 0 327.472 3.033 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678765899 549556695 /nfs/dbraw/zinc/55/66/95/549556695.db2.gz IQQLDSNGJRPBGX-GHTZIAJQSA-N 2 0 329.532 3.317 20 0 EGADRP Clc1ccc2c(c1)nccc2SCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000679312120 549685901 /nfs/dbraw/zinc/68/59/01/549685901.db2.gz QBMDKSWMQDRYFH-CHWSQXEVSA-N 2 0 333.888 3.132 20 0 EGADRP C[NH+](C)CCOc1ccc(CN(CCC[NH3+])c2cccc(F)c2)cc1 ZINC000680335969 549851525 /nfs/dbraw/zinc/85/15/25/549851525.db2.gz OZNHXJTUYLCWNM-UHFFFAOYSA-N 2 0 345.462 3.122 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000680464384 549868541 /nfs/dbraw/zinc/86/85/41/549868541.db2.gz GKOGNHAAWKFECT-GPABEBMESA-N 2 0 345.575 3.349 20 0 EGADRP Cc1ccc([C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CCC2)o1 ZINC000680465006 549868605 /nfs/dbraw/zinc/86/86/05/549868605.db2.gz MXKSJXDJFKFCFZ-YLJYHZDGSA-N 2 0 331.504 3.187 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000680969669 549934672 /nfs/dbraw/zinc/93/46/72/549934672.db2.gz RWRNKHJMBSXLBM-MOPGFXCFSA-N 2 0 329.532 3.184 20 0 EGADRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000683358842 550221700 /nfs/dbraw/zinc/22/17/00/550221700.db2.gz BFJOZAVUDLUMPD-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684147933 550296353 /nfs/dbraw/zinc/29/63/53/550296353.db2.gz AQYHMZHJEBTFJZ-QUCCMNQESA-N 2 0 346.515 3.287 20 0 EGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000684836589 550374931 /nfs/dbraw/zinc/37/49/31/550374931.db2.gz OTZGAIOGKMXFND-LJQANCHMSA-N 2 0 348.450 3.384 20 0 EGADRP C[N@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457939 550418745 /nfs/dbraw/zinc/41/87/45/550418745.db2.gz UGBKNCUQUNFQCL-GOSISDBHSA-N 2 0 345.462 3.172 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCCCC1 ZINC000685632325 550434467 /nfs/dbraw/zinc/43/44/67/550434467.db2.gz YGFWJWPCJYCUPF-UHFFFAOYSA-N 2 0 334.504 3.314 20 0 EGADRP C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C1CC[NH+](C)CC1 ZINC000685662769 550437400 /nfs/dbraw/zinc/43/74/00/550437400.db2.gz PZRDEZSCDCJVDJ-OXQOHEQNSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000305891551 1297065272 /nfs/dbraw/zinc/06/52/72/1297065272.db2.gz WETBBCVYJJOHPW-HYVNUMGLSA-N 2 0 339.524 3.190 20 0 EGADRP COc1ccccc1-c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)co1 ZINC000877969485 1299675371 /nfs/dbraw/zinc/67/53/71/1299675371.db2.gz BTQPRXKJNAEWLC-UHFFFAOYSA-N 2 0 329.444 3.124 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C[C@@H](C(C)C)CC2=O)CC1 ZINC000782292250 1304949142 /nfs/dbraw/zinc/94/91/42/1304949142.db2.gz MIYZIBHBNNCVKH-IBGZPJMESA-N 2 0 337.552 3.282 20 0 EGADRP CN(C)[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000069672766 1292248365 /nfs/dbraw/zinc/24/83/65/1292248365.db2.gz DNNJPVXUURWASL-IBGZPJMESA-N 2 0 347.528 3.081 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)CC1 ZINC000069785359 1292252550 /nfs/dbraw/zinc/25/25/50/1292252550.db2.gz WHHMDGAZUSOMHL-UHFFFAOYSA-N 2 0 349.931 3.439 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864223 1292389532 /nfs/dbraw/zinc/38/95/32/1292389532.db2.gz UDQRPLPCQGODOP-FQEVSTJZSA-N 2 0 349.563 3.445 20 0 EGADRP CC(C)C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000076612030 1292434703 /nfs/dbraw/zinc/43/47/03/1292434703.db2.gz KTEJXQFGIOOSQK-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CCCCC[NH3+])CCCC1)c1ccccc1 ZINC000829074692 1292536189 /nfs/dbraw/zinc/53/61/89/1292536189.db2.gz CAARALBQIISKEE-KRWDZBQOSA-N 2 0 331.504 3.285 20 0 EGADRP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000081790714 1292673490 /nfs/dbraw/zinc/67/34/90/1292673490.db2.gz MLRZPWSOCDONLB-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000086238425 1292731599 /nfs/dbraw/zinc/73/15/99/1292731599.db2.gz NZTPUOPEJZVNBP-INIZCTEOSA-N 2 0 347.478 3.480 20 0 EGADRP Cc1cccc(C)c1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000091057687 1292810472 /nfs/dbraw/zinc/81/04/72/1292810472.db2.gz RBJNDFCIMAVSEZ-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP CC[C@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000107035281 1293057876 /nfs/dbraw/zinc/05/78/76/1293057876.db2.gz CIEPGEZRLXKRJL-AWEZNQCLSA-N 2 0 336.911 3.255 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834530050 1293111749 /nfs/dbraw/zinc/11/17/49/1293111749.db2.gz AAWNIIDUKTURCJ-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000120986862 1293350172 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344.547 3.041 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000246966216 1296377383 /nfs/dbraw/zinc/37/73/83/1296377383.db2.gz LNSFRDQTOAZJST-IXDOHACOSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH2+]CCC1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000262009603 1296614302 /nfs/dbraw/zinc/61/43/02/1296614302.db2.gz SWEUDOSNVSBBHR-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156224 1296777674 /nfs/dbraw/zinc/77/76/74/1296777674.db2.gz GKFLFDQLXKBCCW-XLIONFOSSA-N 2 0 343.515 3.166 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300367890 1296781486 /nfs/dbraw/zinc/78/14/86/1296781486.db2.gz NLMXJHULBDMERA-CVEARBPZSA-N 2 0 327.513 3.142 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000305724903 1297033425 /nfs/dbraw/zinc/03/34/25/1297033425.db2.gz LDPJTXHLRITPME-SFHVURJKSA-N 2 0 326.431 3.052 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000310053358 1297085037 /nfs/dbraw/zinc/08/50/37/1297085037.db2.gz NXISXXJWCBYRKX-RDJZCZTQSA-N 2 0 339.524 3.049 20 0 EGADRP C[C@@]1(CNC2CC[NH+](C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000310303927 1297091329 /nfs/dbraw/zinc/09/13/29/1297091329.db2.gz UZYCJJAZAOGZLV-NRFANRHFSA-N 2 0 327.516 3.115 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](n2cncn2)C1 ZINC000340522141 1297314871 /nfs/dbraw/zinc/31/48/71/1297314871.db2.gz BMZNBUVNRLMNFU-NSISKUIASA-N 2 0 345.535 3.395 20 0 EGADRP CC(C)(CO)[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873211694 1297354846 /nfs/dbraw/zinc/35/48/46/1297354846.db2.gz RJHNKBVJVWNKGU-SFHVURJKSA-N 2 0 330.497 3.243 20 0 EGADRP CCOc1cccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000873246539 1297386957 /nfs/dbraw/zinc/38/69/57/1297386957.db2.gz WMOLQJLRQBMEHB-HNNXBMFYSA-N 2 0 326.444 3.063 20 0 EGADRP COC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1F ZINC000873260500 1297394413 /nfs/dbraw/zinc/39/44/13/1297394413.db2.gz BTHKUIWTRKTFRG-OQMKEHIESA-N 2 0 326.843 3.287 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)nnn1-c1ccc(C)cc1 ZINC000873260006 1297394783 /nfs/dbraw/zinc/39/47/83/1297394783.db2.gz QPJVWVCXJDLPFA-OWLYRPNTSA-N 2 0 339.487 3.065 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000873260189 1297394843 /nfs/dbraw/zinc/39/48/43/1297394843.db2.gz UTRAZIISIQOZGM-LELZANKISA-N 2 0 327.516 3.160 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000873278183 1297406547 /nfs/dbraw/zinc/40/65/47/1297406547.db2.gz ZYPIMXWWRPXSRC-YZGWKJHDSA-N 2 0 342.483 3.324 20 0 EGADRP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000873282449 1297409339 /nfs/dbraw/zinc/40/93/39/1297409339.db2.gz IAVVNGGGECXBJC-JBLDHEPKSA-N 2 0 333.785 3.232 20 0 EGADRP C[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000873287554 1297411246 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KDFMWFANKBWYOY-IBGZPJMESA-N 2 0 339.524 3.098 20 0 EGADRP C[N@H+](CCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC000393652206 1297671455 /nfs/dbraw/zinc/67/14/55/1297671455.db2.gz DSDFGMGMAHEHPL-UHFFFAOYSA-N 2 0 347.503 3.154 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000396467400 1297687528 /nfs/dbraw/zinc/68/75/28/1297687528.db2.gz UTIDYBNHUNXZQT-LRDDRELGSA-N 2 0 330.394 3.059 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C1CC[NH+](C)CC1 ZINC000396446489 1297688678 /nfs/dbraw/zinc/68/86/78/1297688678.db2.gz FFVJBIRBNCWSFI-NSHDSACASA-N 2 0 329.257 3.408 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399082734 1297723065 /nfs/dbraw/zinc/72/30/65/1297723065.db2.gz QGAOGVQBUZHXDA-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400468533 1297731635 /nfs/dbraw/zinc/73/16/35/1297731635.db2.gz WXPFIVPYFRGUIM-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP 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BYYLPVMDYNRJRQ-HNNXBMFYSA-N 2 0 343.298 3.445 20 0 EGADRP CC1([NH+]2CCCCC2)CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000877301301 1299240865 /nfs/dbraw/zinc/24/08/65/1299240865.db2.gz QUXWARVLZRFPBP-IBGZPJMESA-N 2 0 341.499 3.088 20 0 EGADRP C[C@]([NH3+])(C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)c1ccccc1 ZINC000877451047 1299309254 /nfs/dbraw/zinc/30/92/54/1299309254.db2.gz IVGTZNSSJWFGOU-OZOXKJRCSA-N 2 0 343.515 3.007 20 0 EGADRP COc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc(OC)c1OC ZINC000877684970 1299478238 /nfs/dbraw/zinc/47/82/38/1299478238.db2.gz GFKXPPIWFNIWBQ-UHFFFAOYSA-N 2 0 348.487 3.020 20 0 EGADRP C[C@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000877745924 1299523342 /nfs/dbraw/zinc/52/33/42/1299523342.db2.gz DJJSMHJGADVCJM-MRXNPFEDSA-N 2 0 335.923 3.155 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000877748197 1299524968 /nfs/dbraw/zinc/52/49/68/1299524968.db2.gz VULVWWYBCUFKSL-UHFFFAOYSA-N 2 0 329.532 3.196 20 0 EGADRP CC1(C)CCc2onc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2C1 ZINC000877809864 1299571276 /nfs/dbraw/zinc/57/12/76/1299571276.db2.gz INYPODKUQQECAV-UHFFFAOYSA-N 2 0 340.471 3.343 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000759639586 1301134695 /nfs/dbraw/zinc/13/46/95/1301134695.db2.gz DIFXVFHRMIJCRC-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000882725605 1302080664 /nfs/dbraw/zinc/08/06/64/1302080664.db2.gz WVSUCXKDOLMPKD-KRWDZBQOSA-N 2 0 325.456 3.281 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000765872601 1302343034 /nfs/dbraw/zinc/34/30/34/1302343034.db2.gz XKVBIXFGOQSBLN-RISCZKNCSA-N 2 0 329.257 3.203 20 0 EGADRP C[C@H]1C(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000766381254 1302441477 /nfs/dbraw/zinc/44/14/77/1302441477.db2.gz JWVMYYLQOCDGBV-XLIONFOSSA-N 2 0 343.515 3.217 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000767002395 1302562383 /nfs/dbraw/zinc/56/23/83/1302562383.db2.gz LIGKIMSMUFEZEU-UHFFFAOYSA-N 2 0 346.450 3.430 20 0 EGADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000768106755 1302824927 /nfs/dbraw/zinc/82/49/27/1302824927.db2.gz VJZQDLMRYRHLCH-PMACEKPBSA-N 2 0 346.515 3.289 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000771791394 1303443402 /nfs/dbraw/zinc/44/34/02/1303443402.db2.gz KNHNUUZGOBZYAN-DOTOQJQBSA-N 2 0 345.512 3.126 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCN2CC(F)F)CC1 ZINC000886641235 1303535869 /nfs/dbraw/zinc/53/58/69/1303535869.db2.gz DHSUGZVLZKSXCF-UPTPFMHGSA-N 2 0 329.479 3.103 20 0 EGADRP Cc1ncc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000773081377 1303620661 /nfs/dbraw/zinc/62/06/61/1303620661.db2.gz NJUVJNUIHWALQR-AWEZNQCLSA-N 2 0 333.501 3.285 20 0 EGADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000887133382 1303686111 /nfs/dbraw/zinc/68/61/11/1303686111.db2.gz ZQPDIBYPHWGTFE-HNNXBMFYSA-N 2 0 334.423 3.046 20 0 EGADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000887134140 1303686342 /nfs/dbraw/zinc/68/63/42/1303686342.db2.gz CSBXEVIRSHPNQB-MAUKXSAKSA-N 2 0 337.423 3.072 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)Cc1ccccc1 ZINC000775367079 1303946907 /nfs/dbraw/zinc/94/69/07/1303946907.db2.gz VUVMKAZUSDLENF-KZNAEPCWSA-N 2 0 336.570 3.478 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)cc1C[NH+]1CCCCC1 ZINC000775387820 1303954037 /nfs/dbraw/zinc/95/40/37/1303954037.db2.gz MSVIYMPFRJWIGB-IERDGZPVSA-N 2 0 346.515 3.493 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)CCO)cc1C[NH+]1CCCCC1 ZINC000775392751 1303955027 /nfs/dbraw/zinc/95/50/27/1303955027.db2.gz AQSLHZRSMJBPDQ-IAGOWNOFSA-N 2 0 334.504 3.350 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1 ZINC000778214010 1304421288 /nfs/dbraw/zinc/42/12/88/1304421288.db2.gz RCLJIVPRNAZTSP-OAQYLSRUSA-N 2 0 342.483 3.014 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000780746971 1304733312 /nfs/dbraw/zinc/73/33/12/1304733312.db2.gz SWVVWWUWKVHLGT-HUUCEWRRSA-N 2 0 346.462 3.065 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000781198693 1304788425 /nfs/dbraw/zinc/78/84/25/1304788425.db2.gz DHRRGQWGBNRIMB-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000781422960 1304826486 /nfs/dbraw/zinc/82/64/86/1304826486.db2.gz NVFOZCCUWBVPKI-IOMROCGXSA-N 2 0 338.499 3.362 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892466362 1305388816 /nfs/dbraw/zinc/38/88/16/1305388816.db2.gz PHFAEFGNYPZGEH-UHFFFAOYSA-N 2 0 326.488 3.429 20 0 EGADRP CCN(CC)[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000892473779 1305391684 /nfs/dbraw/zinc/39/16/84/1305391684.db2.gz RXAYAPKTHIOPFA-HXUWFJFHSA-N 2 0 333.520 3.010 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000892752711 1305540272 /nfs/dbraw/zinc/54/02/72/1305540272.db2.gz OMNKGIJIBIBYTO-UHFFFAOYSA-N 2 0 331.485 3.154 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CN2C[C@H](CC(C)(C)C)CC2=O)CC1 ZINC000787230744 1305713770 /nfs/dbraw/zinc/71/37/70/1305713770.db2.gz ZJFARYQJUXTGKR-SFHVURJKSA-N 2 0 337.552 3.282 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc2c1NCCC2 ZINC000894209478 1306278605 /nfs/dbraw/zinc/27/86/05/1306278605.db2.gz SKKBNSJGRRFWJM-UHFFFAOYSA-N 2 0 339.483 3.275 20 0 EGADRP COc1ccc(C[N@H+](CC2CC2)CC2CC[NH+](C)CC2)c(OC)c1 ZINC000894264133 1306308371 /nfs/dbraw/zinc/30/83/71/1306308371.db2.gz AVWIJKPIGOSAAB-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000894378188 1306366825 /nfs/dbraw/zinc/36/68/25/1306366825.db2.gz NTDOOTXMFIQADI-UHFFFAOYSA-N 2 0 345.531 3.036 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000894414247 1308865952 /nfs/dbraw/zinc/86/59/52/1308865952.db2.gz RLMHFXYREGVKDH-INIZCTEOSA-N 2 0 331.287 3.348 20 0 EGADRP CCN(C)c1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000790973643 1308900939 /nfs/dbraw/zinc/90/09/39/1308900939.db2.gz PKSSVPLTVMJHMS-UHFFFAOYSA-N 2 0 330.520 3.424 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000894764834 1309056693 /nfs/dbraw/zinc/05/66/93/1309056693.db2.gz VVHCNZHVITUUMJ-LJQANCHMSA-N 2 0 341.503 3.037 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895685973 1309465874 /nfs/dbraw/zinc/46/58/74/1309465874.db2.gz PABGUPSTMLHMJY-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP c1cn(C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)cn1 ZINC000895707849 1309478901 /nfs/dbraw/zinc/47/89/01/1309478901.db2.gz WJXBSDGSXYLMAX-OAQYLSRUSA-N 2 0 347.466 3.278 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000895799789 1309525476 /nfs/dbraw/zinc/52/54/76/1309525476.db2.gz PEDBLXVRAWETQV-UHFFFAOYSA-N 2 0 345.314 3.361 20 0 EGADRP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798087940 1310293797 /nfs/dbraw/zinc/29/37/97/1310293797.db2.gz AJSUZSSCZVCZNG-KRWDZBQOSA-N 2 0 339.524 3.288 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000839181195 1320887519 /nfs/dbraw/zinc/88/75/19/1320887519.db2.gz HLGRXAVKKFBYCF-LBPRGKRZSA-N 2 0 341.286 3.463 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000839183203 1320889038 /nfs/dbraw/zinc/88/90/38/1320889038.db2.gz UVGRTUROMDEQKX-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857278897 1328525943 /nfs/dbraw/zinc/52/59/43/1328525943.db2.gz XBBTWASISZVVLZ-IBGZPJMESA-N 2 0 345.531 3.346 20 0 EGADRP CN(CC[NH+]1CCCCC1)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857297009 1328526745 /nfs/dbraw/zinc/52/67/45/1328526745.db2.gz HWDXVKGKDVEHBZ-HXUWFJFHSA-N 2 0 343.515 3.054 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)c2)C1 ZINC000857303711 1328527571 /nfs/dbraw/zinc/52/75/71/1328527571.db2.gz YUEPEKKPTFRQQW-OALUTQOASA-N 2 0 343.515 3.098 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801869442 1316958933 /nfs/dbraw/zinc/95/89/33/1316958933.db2.gz CDESQANTPXEKHQ-IBGZPJMESA-N 2 0 330.472 3.314 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccc(Cl)cc1 ZINC001018962943 1316988587 /nfs/dbraw/zinc/98/85/87/1316988587.db2.gz QZDCPNCPRNJDCG-PBHICJAKSA-N 2 0 349.906 3.076 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC000957278265 1317256968 /nfs/dbraw/zinc/25/69/68/1317256968.db2.gz HPFBXWWSIXTLQZ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC000957279211 1317258292 /nfs/dbraw/zinc/25/82/92/1317258292.db2.gz UEBQDEPGTABMAX-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001019632515 1317311702 /nfs/dbraw/zinc/31/17/02/1317311702.db2.gz PNNSXTVVQHOJGG-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901291121 1317401112 /nfs/dbraw/zinc/40/11/12/1317401112.db2.gz FJRUDIBKNHCKKO-UXHICEINSA-N 2 0 341.499 3.280 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC001019774965 1317413663 /nfs/dbraw/zinc/41/36/63/1317413663.db2.gz PJUQQMSYPJRRFR-ZWKOTPCHSA-N 2 0 349.906 3.077 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560192 1317457727 /nfs/dbraw/zinc/45/77/27/1317457727.db2.gz TZEOZKZYBZAUGR-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957568272 1317465509 /nfs/dbraw/zinc/46/55/09/1317465509.db2.gz GORLODSPNLRSTR-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957617687 1317499895 /nfs/dbraw/zinc/49/98/95/1317499895.db2.gz WUAUBZFFCXAMRL-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CNc1ccccc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000902181561 1317538368 /nfs/dbraw/zinc/53/83/68/1317538368.db2.gz BWWBHQNJCYSLBA-UHFFFAOYSA-N 2 0 327.472 3.349 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)c1ccccc1 ZINC001020143995 1317559098 /nfs/dbraw/zinc/55/90/98/1317559098.db2.gz NJKUSQWBXUAARB-LWYYNNOASA-N 2 0 343.515 3.247 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001020174859 1317574388 /nfs/dbraw/zinc/57/43/88/1317574388.db2.gz VAPUPKGFJKCNCG-LWYYNNOASA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1([NH3+])CC1 ZINC000902415553 1317575890 /nfs/dbraw/zinc/57/58/90/1317575890.db2.gz IKOFUENLFLEJLR-SECBINFHSA-N 2 0 349.784 3.157 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1)C(C)C ZINC000957720483 1317588370 /nfs/dbraw/zinc/58/83/70/1317588370.db2.gz POYXJTXHQWVPIG-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020239395 1317604894 /nfs/dbraw/zinc/60/48/94/1317604894.db2.gz ZDXLHNDKJUOTJQ-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020340236 1317652153 /nfs/dbraw/zinc/65/21/53/1317652153.db2.gz LLRYKGMHTXNRPN-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc([S@](C)=O)cc1 ZINC000903127953 1317658916 /nfs/dbraw/zinc/65/89/16/1317658916.db2.gz PBQIYELDWJSUPQ-DCLDDOAOSA-N 2 0 332.513 3.232 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903132178 1317660522 /nfs/dbraw/zinc/66/05/22/1317660522.db2.gz NAWTXEPJGGUCMK-TYGFWLQKSA-N 2 0 327.516 3.254 20 0 EGADRP CC(=O)OCc1cccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000903161766 1317665630 /nfs/dbraw/zinc/66/56/30/1317665630.db2.gz XOOMWGFHMLTGCE-HNNXBMFYSA-N 2 0 330.472 3.275 20 0 EGADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc(N2CCCC2)n1 ZINC000903172347 1317667216 /nfs/dbraw/zinc/66/72/16/1317667216.db2.gz OYXQVHCYDVMCOJ-CTXDPNEZSA-N 2 0 340.515 3.238 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001020396237 1317678745 /nfs/dbraw/zinc/67/87/45/1317678745.db2.gz LGKSZDLETZKCEJ-QWFCFKBJSA-N 2 0 348.450 3.336 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCOCC2)[C@H](C)C1 ZINC000903244667 1317681394 /nfs/dbraw/zinc/68/13/94/1317681394.db2.gz ARMMGBRCCPFWMB-IEBWSBKVSA-N 2 0 340.552 3.166 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001020463087 1317707523 /nfs/dbraw/zinc/70/75/23/1317707523.db2.gz UXAOKWXICLMNNS-FHWLQOOXSA-N 2 0 343.515 3.249 20 0 EGADRP Clc1ccc([C@H]2CC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729436 1317726756 /nfs/dbraw/zinc/72/67/56/1317726756.db2.gz MUTSFFSDVUOIJW-WMZOPIPTSA-N 2 0 334.891 3.288 20 0 EGADRP Clc1ccc([C@@H]2CC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729435 1317727220 /nfs/dbraw/zinc/72/72/20/1317727220.db2.gz MUTSFFSDVUOIJW-SJLPKXTDSA-N 2 0 334.891 3.288 20 0 EGADRP C[C@@H]1SCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000903733456 1317727666 /nfs/dbraw/zinc/72/76/66/1317727666.db2.gz KLALLQMBWTYVAR-YTQUADARSA-N 2 0 346.540 3.324 20 0 EGADRP CCc1csc([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903738173 1317728903 /nfs/dbraw/zinc/72/89/03/1317728903.db2.gz YWVIEJKALOBHBP-NVXWUHKLSA-N 2 0 349.544 3.044 20 0 EGADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735424 1317728924 /nfs/dbraw/zinc/72/89/24/1317728924.db2.gz ZUIKXTLTQZBGEH-YZGWKJHDSA-N 2 0 328.500 3.098 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020500188 1317730707 /nfs/dbraw/zinc/73/07/07/1317730707.db2.gz QKKHGHGQVBGHQN-PWKSQPCKSA-N 2 0 349.563 3.172 20 0 EGADRP CCOC(=O)CCCCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793423 1317735118 /nfs/dbraw/zinc/73/51/18/1317735118.db2.gz SHFVUHJLZJVYJI-UHFFFAOYSA-N 2 0 332.488 3.102 20 0 EGADRP CCC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCc2ccccc21 ZINC000903883950 1317740284 /nfs/dbraw/zinc/74/02/84/1317740284.db2.gz MVWCQPNVRJFFRV-UTKZUKDTSA-N 2 0 340.515 3.245 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001020673399 1317849947 /nfs/dbraw/zinc/84/99/47/1317849947.db2.gz KHNPDDIQQZIRPU-KBAYOESNSA-N 2 0 349.544 3.058 20 0 EGADRP Cc1cccc2ncc(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)n21 ZINC000904458689 1317850764 /nfs/dbraw/zinc/85/07/64/1317850764.db2.gz FNKMDUHILLOIAT-UHFFFAOYSA-N 2 0 334.467 3.135 20 0 EGADRP CC(C)([NH3+])c1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000904602101 1317867561 /nfs/dbraw/zinc/86/75/61/1317867561.db2.gz KXECDQYTNPTMQB-SJORKVTESA-N 2 0 330.476 3.019 20 0 EGADRP C[NH+](C)Cc1ccc(F)c(-c2ccc([C@]3(O)CCC[NH2+]C3)cc2)c1 ZINC000904806533 1317901900 /nfs/dbraw/zinc/90/19/00/1317901900.db2.gz UJZAPXOJNLBNLH-FQEVSTJZSA-N 2 0 328.431 3.125 20 0 EGADRP COc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c(OC)c1 ZINC000904889215 1317908002 /nfs/dbraw/zinc/90/80/02/1317908002.db2.gz XUBJUMXXPFVXCE-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129033 1317958330 /nfs/dbraw/zinc/95/83/30/1317958330.db2.gz RNPZWPUBJBXGKV-AEFFLSMTSA-N 2 0 329.488 3.338 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262812 1317989809 /nfs/dbraw/zinc/98/98/09/1317989809.db2.gz XWKQWKHTNDGINT-ILZDJORESA-N 2 0 341.499 3.481 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001020906013 1317991662 /nfs/dbraw/zinc/99/16/62/1317991662.db2.gz CEQKZVMSRVCIFW-VAMGGRTRSA-N 2 0 343.515 3.078 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001021273804 1318167643 /nfs/dbraw/zinc/16/76/43/1318167643.db2.gz FZPJFORQFLSGQC-NXEWRWPSSA-N 2 0 349.563 3.409 20 0 EGADRP CCSc1ccccc1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000929981776 1328756731 /nfs/dbraw/zinc/75/67/31/1328756731.db2.gz PXDMPDHRVCEQJT-GOSISDBHSA-N 2 0 333.545 3.010 20 0 EGADRP CCc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)c1 ZINC000960137314 1318376324 /nfs/dbraw/zinc/37/63/24/1318376324.db2.gz RENSENRHMRDRBH-PMACEKPBSA-N 2 0 345.531 3.060 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666567 1318530063 /nfs/dbraw/zinc/53/00/63/1318530063.db2.gz VNTFBVNNLUDWKZ-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491372 1328777830 /nfs/dbraw/zinc/77/78/30/1328777830.db2.gz GHVKAGCBZICMHD-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813881946 1318650387 /nfs/dbraw/zinc/65/03/87/1318650387.db2.gz XTBXADFDKMPYNO-XSLAUPDRSA-N 2 0 338.499 3.447 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCCC2)CCC1 ZINC000960675996 1318787140 /nfs/dbraw/zinc/78/71/40/1318787140.db2.gz BOSCBAPWZAUASR-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657833 1318795505 /nfs/dbraw/zinc/79/55/05/1318795505.db2.gz SXHFEQZIQPRATP-NVXWUHKLSA-N 2 0 331.460 3.168 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960715819 1318825709 /nfs/dbraw/zinc/82/57/09/1318825709.db2.gz WXUBKSGPVIDUPZ-LJQANCHMSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022200979 1318839065 /nfs/dbraw/zinc/83/90/65/1318839065.db2.gz BTLRUFJQPXRFOO-ZCNNSNEGSA-N 2 0 347.547 3.377 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022351052 1318902534 /nfs/dbraw/zinc/90/25/34/1318902534.db2.gz SKBRZSISVGHQNK-RSPOEFSDSA-N 2 0 343.515 3.105 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960827488 1318953374 /nfs/dbraw/zinc/95/33/74/1318953374.db2.gz ZSPDXPGRLUVQPL-XLIONFOSSA-N 2 0 343.515 3.012 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001022838467 1319132519 /nfs/dbraw/zinc/13/25/19/1319132519.db2.gz PEWJCOVMZPRDHW-IYWMVGAKSA-N 2 0 345.531 3.131 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)CC1CCC(C)(C)CC1 ZINC000961027866 1319149858 /nfs/dbraw/zinc/14/98/58/1319149858.db2.gz LHVMPSDUEMGZOY-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961278997 1319434934 /nfs/dbraw/zinc/43/49/34/1319434934.db2.gz ZPWVNZOLSCJPGV-UXHICEINSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H](O)c1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817896224 1319454641 /nfs/dbraw/zinc/45/46/41/1319454641.db2.gz ZPJQLTTYIRCBPR-PAXLWEDBSA-N 2 0 338.451 3.085 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901959 1319455235 /nfs/dbraw/zinc/45/52/35/1319455235.db2.gz ZXPHDHYHDQDJDS-DMKPSLHHSA-N 3 0 330.520 3.296 20 0 EGADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000817897730 1319455780 /nfs/dbraw/zinc/45/57/80/1319455780.db2.gz WLOVBSIMIJEESZ-MJUUVYJYSA-N 2 0 327.516 3.474 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817918602 1319459219 /nfs/dbraw/zinc/45/92/19/1319459219.db2.gz WRUSJEOVYRCRMK-KUHUBIRLSA-N 2 0 325.456 3.013 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817918343 1319459521 /nfs/dbraw/zinc/45/95/21/1319459521.db2.gz ZBUKLVOEBMOEEI-BTDLBPIBSA-N 2 0 337.826 3.025 20 0 EGADRP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c21 ZINC000817920745 1319461606 /nfs/dbraw/zinc/46/16/06/1319461606.db2.gz VJBNXUFOWFIMQT-GVDBMIGSSA-N 2 0 327.472 3.229 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000817922683 1319461661 /nfs/dbraw/zinc/46/16/61/1319461661.db2.gz KBIAYUVZSAXTTO-KPZWWZAWSA-N 2 0 333.863 3.060 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000817920195 1319462262 /nfs/dbraw/zinc/46/22/62/1319462262.db2.gz DINRYPNWTQCAEH-UHFFFAOYSA-N 2 0 349.219 3.410 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c(C)c1OC ZINC000817950192 1319475638 /nfs/dbraw/zinc/47/56/38/1319475638.db2.gz XNOFWGGSVBWXPX-HNNXBMFYSA-N 2 0 342.483 3.234 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1nc(Br)cs1 ZINC000817974901 1319482303 /nfs/dbraw/zinc/48/23/03/1319482303.db2.gz HFULPADAILQWOF-DCAQKATOSA-N 2 0 332.311 3.321 20 0 EGADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(N2CCCOC2=O)cc1 ZINC000817979990 1319484200 /nfs/dbraw/zinc/48/42/00/1319484200.db2.gz GWWXXCBTQBASEB-WBVHZDCISA-N 2 0 331.460 3.216 20 0 EGADRP COc1cccc2c1OC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C2 ZINC000817983811 1319485653 /nfs/dbraw/zinc/48/56/53/1319485653.db2.gz QVMQCZOUZUZDOJ-ROUUACIJSA-N 2 0 326.440 3.069 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001023446565 1319544900 /nfs/dbraw/zinc/54/49/00/1319544900.db2.gz RXPOOUATZUBHKU-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000961410714 1319566321 /nfs/dbraw/zinc/56/63/21/1319566321.db2.gz CUUYVANVGYLIEE-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961410821 1319566607 /nfs/dbraw/zinc/56/66/07/1319566607.db2.gz JKQAAMZLNIDDTG-ICSRJNTNSA-N 2 0 349.563 3.077 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1c(F)cccc1F ZINC000818954547 1319588549 /nfs/dbraw/zinc/58/85/49/1319588549.db2.gz XCSZZEKMSCGDCR-LJQANCHMSA-N 2 0 346.421 3.384 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000818959951 1319591231 /nfs/dbraw/zinc/59/12/31/1319591231.db2.gz BIBLIENODWJYEO-CLCXKQKWSA-N 2 0 340.458 3.346 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818980916 1319601986 /nfs/dbraw/zinc/60/19/86/1319601986.db2.gz PEKLZAFGVVMEOS-LRDDRELGSA-N 2 0 331.287 3.348 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000819015658 1319614659 /nfs/dbraw/zinc/61/46/59/1319614659.db2.gz MTMLEJAWNLELEY-WIYYLYMNSA-N 2 0 342.458 3.013 20 0 EGADRP CN(C)c1ccc(NC(=O)CC[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000819081529 1319631135 /nfs/dbraw/zinc/63/11/35/1319631135.db2.gz MASJIXHXFPFDSQ-SFHVURJKSA-N 2 0 348.535 3.037 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000819102519 1319636352 /nfs/dbraw/zinc/63/63/52/1319636352.db2.gz KVQINPGYVHZZBF-SWLSCSKDSA-N 2 0 332.410 3.305 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819107211 1319636577 /nfs/dbraw/zinc/63/65/77/1319636577.db2.gz WANLTSGYJMLNEO-KRWDZBQOSA-N 2 0 344.421 3.450 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819134238 1319644916 /nfs/dbraw/zinc/64/49/16/1319644916.db2.gz ZROXVEOVKPCYGQ-ARFHVFGLSA-N 2 0 330.394 3.201 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000819143074 1319647962 /nfs/dbraw/zinc/64/79/62/1319647962.db2.gz VNRMKCXTNSWBOY-GOSISDBHSA-N 2 0 340.458 3.346 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)c3cccc(F)c3)CC2)CC1 ZINC000819187739 1319661484 /nfs/dbraw/zinc/66/14/84/1319661484.db2.gz RDTGAWYDFQYADC-SOAGJPPSSA-N 2 0 334.479 3.492 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001023573190 1319690033 /nfs/dbraw/zinc/69/00/33/1319690033.db2.gz UTFSFEUPCQPTEU-IBGZPJMESA-N 2 0 347.547 3.047 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819366542 1319709977 /nfs/dbraw/zinc/70/99/77/1319709977.db2.gz RREVZLFMIQRTMA-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023696407 1319821591 /nfs/dbraw/zinc/82/15/91/1319821591.db2.gz MLEICTQWJAZIPA-PMACEKPBSA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(CC)CC)C[C@H]21 ZINC000962277959 1319897247 /nfs/dbraw/zinc/89/72/47/1319897247.db2.gz ZSHIATKZVREUTR-WCIQWLHISA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023762118 1319908615 /nfs/dbraw/zinc/90/86/15/1319908615.db2.gz RNIHLXGNGNGMPB-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O[C@]1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000820812558 1319958237 /nfs/dbraw/zinc/95/82/37/1319958237.db2.gz NLPSRDAUCNMHJC-NXEWRWPSSA-N 2 0 346.540 3.030 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[C@@H](OC)C2)CC1 ZINC000821401807 1320011074 /nfs/dbraw/zinc/01/10/74/1320011074.db2.gz HFEBIQGIHHKGHW-CGTJXYLNSA-N 2 0 349.494 3.186 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000822766585 1320121766 /nfs/dbraw/zinc/12/17/66/1320121766.db2.gz VAMIJQABDYSBEG-IAGOWNOFSA-N 2 0 326.444 3.188 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000825326019 1320327674 /nfs/dbraw/zinc/32/76/74/1320327674.db2.gz KWMQWWODMIAVAU-UHOSZYNNSA-N 2 0 334.504 3.105 20 0 EGADRP CCCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000827519655 1320458397 /nfs/dbraw/zinc/45/83/97/1320458397.db2.gz QMUAPDFXIUQZBZ-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(Br)ncc1F ZINC000840810381 1321153996 /nfs/dbraw/zinc/15/39/96/1321153996.db2.gz SUBQJEPKFUOMLS-RYUDHWBXSA-N 2 0 344.272 3.366 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000841032122 1321204461 /nfs/dbraw/zinc/20/44/61/1321204461.db2.gz MEFNNQVNZKOSAY-AVRDEDQJSA-N 2 0 337.511 3.331 20 0 EGADRP CC(C)n1ncc2cc(C[NH2+]CC3(C)CC[NH2+]CC3)c(Cl)nc21 ZINC000841055424 1321211333 /nfs/dbraw/zinc/21/13/33/1321211333.db2.gz UUYQVOHFJIPKLZ-UHFFFAOYSA-N 2 0 335.883 3.145 20 0 EGADRP CC(C)N(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C(C)C ZINC000859214059 1328947695 /nfs/dbraw/zinc/94/76/95/1328947695.db2.gz LPFMZFWNJLWPJY-QGZVFWFLSA-N 2 0 333.520 3.214 20 0 EGADRP O=C(NCCCCCCC[NH+]1CCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000841332964 1321259103 /nfs/dbraw/zinc/25/91/03/1321259103.db2.gz RMRLOEHYONFDAJ-UHFFFAOYSA-N 2 0 344.503 3.458 20 0 EGADRP Cc1cc2oc(=O)cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c2cc1C ZINC000842472347 1321392751 /nfs/dbraw/zinc/39/27/51/1321392751.db2.gz DTCWIHLMVYBBEI-IBGZPJMESA-N 2 0 340.467 3.374 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000842475704 1321393369 /nfs/dbraw/zinc/39/33/69/1321393369.db2.gz ARKGQBUNAFYZGO-UHFFFAOYSA-N 2 0 346.544 3.323 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000843105196 1321470791 /nfs/dbraw/zinc/47/07/91/1321470791.db2.gz RUWIYMUTTCEXAE-UHFFFAOYSA-N 2 0 332.879 3.253 20 0 EGADRP CC(C)n1ncc2cc(C[NH2+]Cc3ccc(C[NH3+])cc3)c(Cl)nc21 ZINC000843129150 1321474513 /nfs/dbraw/zinc/47/45/13/1321474513.db2.gz RZLVTWUGNPSFHK-UHFFFAOYSA-N 2 0 343.862 3.414 20 0 EGADRP COc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364960 1321507179 /nfs/dbraw/zinc/50/71/79/1321507179.db2.gz XSSBDGVRJINRIN-CMPLNLGQSA-N 2 0 334.407 3.476 20 0 EGADRP Cc1cc2oc(=O)cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c2cc1C ZINC000843385341 1321509586 /nfs/dbraw/zinc/50/95/86/1321509586.db2.gz BLMNMZBJLGADAC-QGZVFWFLSA-N 2 0 340.467 3.231 20 0 EGADRP CC(C)[C@H](C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000843785635 1321548119 /nfs/dbraw/zinc/54/81/19/1321548119.db2.gz PMGGCOPPASIZCH-HXUWFJFHSA-N 2 0 345.531 3.217 20 0 EGADRP CCCN(C(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844173864 1321575998 /nfs/dbraw/zinc/57/59/98/1321575998.db2.gz BAHXXXQBVKQHCJ-UXHICEINSA-N 2 0 343.515 3.017 20 0 EGADRP [NH3+]C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000844196184 1321577599 /nfs/dbraw/zinc/57/75/99/1321577599.db2.gz BBJJWEFSWUMBHI-HXUWFJFHSA-N 2 0 339.483 3.222 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C(C)(C)C)cc1 ZINC000849057493 1322061493 /nfs/dbraw/zinc/06/14/93/1322061493.db2.gz XGQAYTARIOOCMO-SFHVURJKSA-N 2 0 330.520 3.125 20 0 EGADRP [NH2+]=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1ccccc1 ZINC000849078341 1322069379 /nfs/dbraw/zinc/06/93/79/1322069379.db2.gz ZXKSMWJNFCSUBW-UHFFFAOYSA-N 2 0 338.455 3.298 20 0 EGADRP CSCCCCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849092120 1322075094 /nfs/dbraw/zinc/07/50/94/1322075094.db2.gz FXNLPXSUEPYCDS-UHFFFAOYSA-N 2 0 348.560 3.298 20 0 EGADRP CCc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC000849102129 1322078946 /nfs/dbraw/zinc/07/89/46/1322078946.db2.gz ZJUKHGRAHWTXBL-UHFFFAOYSA-N 2 0 332.492 3.075 20 0 EGADRP COC1CC[NH+](C(C)(C)CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000849101953 1322079443 /nfs/dbraw/zinc/07/94/43/1322079443.db2.gz CKFJLJCAZHZBCY-UHFFFAOYSA-N 2 0 344.503 3.001 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849105921 1322080510 /nfs/dbraw/zinc/08/05/10/1322080510.db2.gz IVADTRCKMYVCSC-SFHVURJKSA-N 2 0 344.503 3.106 20 0 EGADRP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000850578377 1322272030 /nfs/dbraw/zinc/27/20/30/1322272030.db2.gz LZRIVEHENFMJLE-CQSZACIVSA-N 2 0 327.513 3.094 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000922180665 1322473304 /nfs/dbraw/zinc/47/33/04/1322473304.db2.gz FDXJXHPWQYPIJR-IXDOHACOSA-N 2 0 339.524 3.001 20 0 EGADRP CCCC[N@H+](CCCC(=O)N(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034835 1329034189 /nfs/dbraw/zinc/03/41/89/1329034189.db2.gz YYTZECOCBBRTPX-UHFFFAOYSA-N 2 0 325.541 3.266 20 0 EGADRP CCc1ncc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000923346199 1322738289 /nfs/dbraw/zinc/73/82/89/1322738289.db2.gz WCEMPOGXNMOZQI-MJGOQNOKSA-N 2 0 327.472 3.409 20 0 EGADRP O[C@H](CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363797 1322740703 /nfs/dbraw/zinc/74/07/03/1322740703.db2.gz FVCNVHLGNSBIGW-CSMYWGQOSA-N 2 0 343.298 3.491 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363159 1322740862 /nfs/dbraw/zinc/74/08/62/1322740862.db2.gz VQURJSJLCMUALB-BHDDXSALSA-N 2 0 338.495 3.065 20 0 EGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000923438589 1322751869 /nfs/dbraw/zinc/75/18/69/1322751869.db2.gz AKAAMHHJGPDYBA-UFYCRDLUSA-N 2 0 344.499 3.127 20 0 EGADRP CCc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503049 1322764135 /nfs/dbraw/zinc/76/41/35/1322764135.db2.gz FMOFVXDDBYMAGI-SFHVURJKSA-N 2 0 343.515 3.289 20 0 EGADRP O[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)c1ccc(F)cc1F ZINC000923505760 1322764465 /nfs/dbraw/zinc/76/44/65/1322764465.db2.gz FRGZCRJAPCCXFW-KUHUBIRLSA-N 2 0 338.442 3.100 20 0 EGADRP C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923525996 1322769859 /nfs/dbraw/zinc/76/98/59/1322769859.db2.gz MKOGSIIRFQHMDM-XJKSGUPXSA-N 2 0 340.920 3.320 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc(C[NH+](C)C)c1 ZINC000924610843 1323074353 /nfs/dbraw/zinc/07/43/53/1323074353.db2.gz VCDSMRLXCJKMRX-MRXNPFEDSA-N 2 0 339.483 3.301 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024010163 1323077980 /nfs/dbraw/zinc/07/79/80/1323077980.db2.gz HPVKETFSYIABES-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000924682044 1323111204 /nfs/dbraw/zinc/11/12/04/1323111204.db2.gz UYRQTCAWWLFAEE-UXHICEINSA-N 2 0 332.536 3.233 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CCCO)cc1 ZINC000924704341 1323122977 /nfs/dbraw/zinc/12/29/77/1323122977.db2.gz MYUZHQQTJHEISL-QUCCMNQESA-N 2 0 334.504 3.048 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001024160846 1323180207 /nfs/dbraw/zinc/18/02/07/1323180207.db2.gz BNFLWSLRLKVZSH-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000924970026 1323233380 /nfs/dbraw/zinc/23/33/80/1323233380.db2.gz MSLJFWFKJSLRNX-SFHVURJKSA-N 2 0 345.531 3.044 20 0 EGADRP FC(F)(F)c1cccc([C@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)c1 ZINC000852750020 1323236135 /nfs/dbraw/zinc/23/61/35/1323236135.db2.gz LLRPERUKVGLJLT-GOEBONIOSA-N 2 0 340.389 3.016 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1F ZINC000924993624 1323238640 /nfs/dbraw/zinc/23/86/40/1323238640.db2.gz PWNDQTVWRUUGPE-VXGBXAGGSA-N 2 0 348.293 3.419 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925058306 1323259806 /nfs/dbraw/zinc/25/98/06/1323259806.db2.gz XSNCGOUNVWMNJP-UTKZUKDTSA-N 2 0 345.531 3.042 20 0 EGADRP CS[C@H](CO)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925109360 1323285628 /nfs/dbraw/zinc/28/56/28/1323285628.db2.gz DMFDCSUMUDVTFG-MNIJEXPFSA-N 2 0 348.556 3.274 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024469255 1323424082 /nfs/dbraw/zinc/42/40/82/1323424082.db2.gz QVIHLPFXJWOCJZ-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(CC)CC ZINC001024469709 1323425461 /nfs/dbraw/zinc/42/54/61/1323425461.db2.gz VZOPDYZDOMHSGD-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521074 1323468951 /nfs/dbraw/zinc/46/89/51/1323468951.db2.gz OKDPKEWNQDRGHG-NVXWUHKLSA-N 2 0 342.487 3.273 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749827 1323653609 /nfs/dbraw/zinc/65/36/09/1323653609.db2.gz HGRNNZZKHZLNRL-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CCCC1CCC1)[C@@]12CC[NH+](C1)CCC2 ZINC001024780799 1323682659 /nfs/dbraw/zinc/68/26/59/1323682659.db2.gz FDQPEWUEJBXJCS-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814062 1323715374 /nfs/dbraw/zinc/71/53/74/1323715374.db2.gz NWJKMLCBWNBLTC-FUHWJXTLSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024962224 1323802194 /nfs/dbraw/zinc/80/21/94/1323802194.db2.gz LWRKOIJWONKHEY-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001024982232 1323812187 /nfs/dbraw/zinc/81/21/87/1323812187.db2.gz JHMNMPZHXYSJDW-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001024999088 1323817741 /nfs/dbraw/zinc/81/77/41/1323817741.db2.gz RENSENRHMRDRBH-WOJBJXKFSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001025168408 1323936713 /nfs/dbraw/zinc/93/67/13/1323936713.db2.gz CEFDTEGFDKRVSN-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001025168672 1323936880 /nfs/dbraw/zinc/93/68/80/1323936880.db2.gz SKXQXAHMENXLJZ-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025168594 1323937290 /nfs/dbraw/zinc/93/72/90/1323937290.db2.gz NXKAXPLZMJECEJ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000931466664 1329125311 /nfs/dbraw/zinc/12/53/11/1329125311.db2.gz FMZBMRIZUNXSRG-LSDHHAIUSA-N 2 0 334.426 3.294 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025241575 1324036169 /nfs/dbraw/zinc/03/61/69/1324036169.db2.gz YRDJQYLHNFEPPL-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293523 1324120722 /nfs/dbraw/zinc/12/07/22/1324120722.db2.gz CZKOMFBPGQICGB-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001025301692 1324135309 /nfs/dbraw/zinc/13/53/09/1324135309.db2.gz OKPRKJXYQDHUJX-PMACEKPBSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474019 1324319421 /nfs/dbraw/zinc/31/94/21/1324319421.db2.gz IHWKIUUAEWXNPU-AEFFLSMTSA-N 2 0 340.471 3.131 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025493079 1324344408 /nfs/dbraw/zinc/34/44/08/1324344408.db2.gz KDZMOSKTCMUZTG-MJGOQNOKSA-N 2 0 345.531 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025494165 1324346416 /nfs/dbraw/zinc/34/64/16/1324346416.db2.gz VAVDUUDJIOYEGA-HKUYNNGSSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494632 1324847489 /nfs/dbraw/zinc/84/74/89/1324847489.db2.gz XQAJDHXYRSHNPA-AOCRQIFASA-N 2 0 335.536 3.068 20 0 EGADRP O=C(NC1CCC([NH2+]CCC2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001026507324 1324855265 /nfs/dbraw/zinc/85/52/65/1324855265.db2.gz PPHDXYMEHMAJBU-AFMYVXGZSA-N 2 0 347.547 3.211 20 0 EGADRP O=C(NC1CCC([NH2+]CC2=CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001026521891 1324865222 /nfs/dbraw/zinc/86/52/22/1324865222.db2.gz CTLHAFDTYNUURO-UHFFFAOYSA-N 2 0 345.531 3.132 20 0 EGADRP O=C(NC1CCC([NH2+]CCC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001026522085 1324865505 /nfs/dbraw/zinc/86/55/05/1324865505.db2.gz NPEJBZQBQJALFD-UHFFFAOYSA-N 2 0 347.547 3.212 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1)[NH+]1CCCC1 ZINC001026540710 1324877664 /nfs/dbraw/zinc/87/76/64/1324877664.db2.gz WCANXXFMEJCCIL-UHFFFAOYSA-N 2 0 349.544 3.140 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026560844 1324896231 /nfs/dbraw/zinc/89/62/31/1324896231.db2.gz GRNSNJVIMWKCIP-QHGAOEGBSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC001026571757 1324904563 /nfs/dbraw/zinc/90/45/63/1324904563.db2.gz KPGCJBJNJGPLIG-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026887673 1325062067 /nfs/dbraw/zinc/06/20/67/1325062067.db2.gz SZHLOOYWSVLGOQ-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026935618 1325092056 /nfs/dbraw/zinc/09/20/56/1325092056.db2.gz PWJCUUPVALWPAH-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CCON1CCC([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000925281821 1325112936 /nfs/dbraw/zinc/11/29/36/1325112936.db2.gz ZYIHHMIWHXTHHI-WGMWDUQUSA-N 2 0 345.531 3.149 20 0 EGADRP CN(C)[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(F)c1 ZINC000925492249 1325175730 /nfs/dbraw/zinc/17/57/30/1325175730.db2.gz GKJOYUCOMYMSOS-PMACEKPBSA-N 2 0 329.463 3.498 20 0 EGADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)Oc1cccc(C)c1 ZINC000925499195 1325179444 /nfs/dbraw/zinc/17/94/44/1325179444.db2.gz MVJRAHYUONATSI-NXEWRWPSSA-N 2 0 346.515 3.384 20 0 EGADRP Clc1cccnc1N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925553738 1325206235 /nfs/dbraw/zinc/20/62/35/1325206235.db2.gz VGBNWGMLORRTOB-JZXOWHBKSA-N 2 0 348.922 3.072 20 0 EGADRP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000925559571 1325209663 /nfs/dbraw/zinc/20/96/63/1325209663.db2.gz WFSYJUYMVUJCFU-AQNXPRMDSA-N 2 0 328.500 3.340 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925565006 1325211651 /nfs/dbraw/zinc/21/16/51/1325211651.db2.gz XGUCYSQBJRWZFZ-HXUWFJFHSA-N 2 0 327.516 3.224 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925566748 1325213059 /nfs/dbraw/zinc/21/30/59/1325213059.db2.gz FWWTUTNHIGYULU-UXHICEINSA-N 2 0 342.483 3.113 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027104208 1325228761 /nfs/dbraw/zinc/22/87/61/1325228761.db2.gz NCUJAHFUQNZROU-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221397 1325229876 /nfs/dbraw/zinc/22/98/76/1325229876.db2.gz LQLKABBGIHLMTO-LHSJRXKWSA-N 2 0 335.451 3.386 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925638860 1325242250 /nfs/dbraw/zinc/24/22/50/1325242250.db2.gz HKLMVRWTPVZIQI-HKHIRDCPSA-N 2 0 336.479 3.493 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000925653837 1325249063 /nfs/dbraw/zinc/24/90/63/1325249063.db2.gz ZYOBIUUMNFQGKN-HKBOAZHASA-N 2 0 342.458 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000963444233 1325250991 /nfs/dbraw/zinc/25/09/91/1325250991.db2.gz VRLLYJUIZIDMCA-RBUKOAKNSA-N 2 0 346.519 3.022 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc21 ZINC000925817054 1325315368 /nfs/dbraw/zinc/31/53/68/1325315368.db2.gz MQOXRKPKPGVUSU-VGSWGCGISA-N 2 0 335.495 3.430 20 0 EGADRP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCO1 ZINC000926110519 1325432888 /nfs/dbraw/zinc/43/28/88/1325432888.db2.gz WVFRZSCBHGYRSZ-BGVWBIDGSA-N 2 0 338.536 3.202 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000964015712 1325475850 /nfs/dbraw/zinc/47/58/50/1325475850.db2.gz XFDVXJPZRAWZMV-CTWPCTMYSA-N 2 0 335.536 3.019 20 0 EGADRP OC[C@H](CC(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926285504 1325503636 /nfs/dbraw/zinc/50/36/36/1325503636.db2.gz QAANPMFHQFIHRM-XFYFCPPXSA-N 2 0 338.442 3.178 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000926311450 1325512082 /nfs/dbraw/zinc/51/20/82/1325512082.db2.gz YKHWDHAHJUBDRK-DYESRHJHSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(Br)n1 ZINC000926605965 1327633712 /nfs/dbraw/zinc/63/37/12/1327633712.db2.gz GIDMIVWTKPTQRN-HIFPTAJRSA-N 2 0 326.282 3.368 20 0 EGADRP C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cccc(C[NH+](C)C)c1 ZINC000926665206 1327657607 /nfs/dbraw/zinc/65/76/07/1327657607.db2.gz ZVKZLVISGBPNNR-YWZLYKJASA-N 2 0 337.467 3.352 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027433275 1327672056 /nfs/dbraw/zinc/67/20/56/1327672056.db2.gz VXFBVVCIOZIALJ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027435152 1327673304 /nfs/dbraw/zinc/67/33/04/1327673304.db2.gz ZGJFYWBSDLQDBB-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001027452748 1327693088 /nfs/dbraw/zinc/69/30/88/1327693088.db2.gz UEMQNWATBNKTLO-OALUTQOASA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001027459747 1327702601 /nfs/dbraw/zinc/70/26/01/1327702601.db2.gz ARPXMPBVXXMSBF-VQTJNVASSA-N 2 0 345.531 3.066 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926922241 1327777317 /nfs/dbraw/zinc/77/73/17/1327777317.db2.gz OIHHJZFDMFEFLX-YOEHRIQHSA-N 2 0 343.437 3.426 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCC3CCCCC3)C2)C1 ZINC001027576367 1327913862 /nfs/dbraw/zinc/91/38/62/1327913862.db2.gz NNTXHMZUGWPTTL-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CCC3CCCC3)C2)CC1 ZINC001027628882 1327992983 /nfs/dbraw/zinc/99/29/83/1327992983.db2.gz MWVSWMMKKXUWPG-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001027972365 1328444647 /nfs/dbraw/zinc/44/46/47/1328444647.db2.gz UEEWOIGIJGOSIK-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027986379 1328457891 /nfs/dbraw/zinc/45/78/91/1328457891.db2.gz VRDIZUPSORNIHN-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001028003269 1328465189 /nfs/dbraw/zinc/46/51/89/1328465189.db2.gz LYZQHAFGGFPEFB-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1cccc(OC(C)(C)C)c1)N1CC[NH+](C)CC1 ZINC000865411548 1329693318 /nfs/dbraw/zinc/69/33/18/1329693318.db2.gz XNLZQBSFLREMPV-HXUWFJFHSA-N 2 0 347.547 3.226 20 0 EGADRP COc1cncc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000865717995 1329732092 /nfs/dbraw/zinc/73/20/92/1329732092.db2.gz RAQXRSPPSQSNPS-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2c(Cl)nc(Cl)n2C)CC1 ZINC000865717278 1329732255 /nfs/dbraw/zinc/73/22/55/1329732255.db2.gz VSQRXYWSHUPWQV-UHFFFAOYSA-N 2 0 333.307 3.327 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933899159 1329931830 /nfs/dbraw/zinc/93/18/30/1329931830.db2.gz AIAKQKHJYJMPTB-IBGZPJMESA-N 2 0 330.472 3.010 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCCc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000866225994 1330080867 /nfs/dbraw/zinc/08/08/67/1330080867.db2.gz FNUXCDSOVXKZRL-PMACEKPBSA-N 2 0 333.495 3.065 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941139605 1331351821 /nfs/dbraw/zinc/35/18/21/1331351821.db2.gz WPAUASVTNXBKKC-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557185 1331971724 /nfs/dbraw/zinc/97/17/24/1331971724.db2.gz CKKXCWUWUVRTAD-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943516765 1332191882 /nfs/dbraw/zinc/19/18/82/1332191882.db2.gz MQKFFPVICLVFMF-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592715 1332859303 /nfs/dbraw/zinc/85/93/03/1332859303.db2.gz VOEUBUHFDBHHIZ-KDURUIRLSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946615989 1332863679 /nfs/dbraw/zinc/86/36/79/1332863679.db2.gz VULIKWBTHUGCKL-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946624011 1332865095 /nfs/dbraw/zinc/86/50/95/1332865095.db2.gz YMCOFUDMZAOZGL-ZCNNSNEGSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904536 1332929053 /nfs/dbraw/zinc/92/90/53/1332929053.db2.gz ITEDRFWHKCZHPU-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947492754 1333145890 /nfs/dbraw/zinc/14/58/90/1333145890.db2.gz NGZKIMWBIIZVRK-AEFFLSMTSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000947615366 1333193851 /nfs/dbraw/zinc/19/38/51/1333193851.db2.gz ICWRHJSATVJRGL-PKOBYXMFSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723845 1333241091 /nfs/dbraw/zinc/24/10/91/1333241091.db2.gz YVSKAKPCVSRTPE-PXNSSMCTSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882767 1333290656 /nfs/dbraw/zinc/29/06/56/1333290656.db2.gz WRRBWNSFSWNEEO-MJGOQNOKSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C/C=C/Cl ZINC000948055431 1333357147 /nfs/dbraw/zinc/35/71/47/1333357147.db2.gz BXJPLWVREQONQB-NQGACDCQSA-N 2 0 349.906 3.083 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948067113 1333362024 /nfs/dbraw/zinc/36/20/24/1333362024.db2.gz UCOBJUMYVLVGLF-FUHWJXTLSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC000948067099 1333362447 /nfs/dbraw/zinc/36/24/47/1333362447.db2.gz TWHFGQRUEYRTBQ-VQIMIIECSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439576 1333526508 /nfs/dbraw/zinc/52/65/08/1333526508.db2.gz SBUOJUHTTAGHDV-ICSRJNTNSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC(C)C)CC2)C1 ZINC000948710299 1333641946 /nfs/dbraw/zinc/64/19/46/1333641946.db2.gz AFCHBHGQISBLHA-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829165 1333700839 /nfs/dbraw/zinc/70/08/39/1333700839.db2.gz FWMYSDBUTCLYBG-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829516 1333701508 /nfs/dbraw/zinc/70/15/08/1333701508.db2.gz PBWSKWPAHZTOQX-RBUKOAKNSA-N 2 0 337.552 3.362 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832781 1333702416 /nfs/dbraw/zinc/70/24/16/1333702416.db2.gz ANZYHDXDRBTCQE-MJGOQNOKSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000948862037 1333713222 /nfs/dbraw/zinc/71/32/22/1333713222.db2.gz ZCTQRZZHKLESSD-IBGZPJMESA-N 2 0 349.494 3.034 20 0 EGADRP CN(C(=O)Cc1ncc[nH]1)[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948886566 1333719338 /nfs/dbraw/zinc/71/93/38/1333719338.db2.gz OQYIGQRHEUFFJL-SFHVURJKSA-N 2 0 344.503 3.156 20 0 EGADRP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950331517 1334043419 /nfs/dbraw/zinc/04/34/19/1334043419.db2.gz PYMDMNLFDGDKFZ-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC000950501212 1334082730 /nfs/dbraw/zinc/08/27/30/1334082730.db2.gz TZSQZBKEOXPYAT-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000950508846 1334083694 /nfs/dbraw/zinc/08/36/94/1334083694.db2.gz SNPSEPBIHUBMCX-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1C[NH+](CCC2CCCC2)C1 ZINC000950616184 1334097350 /nfs/dbraw/zinc/09/73/50/1334097350.db2.gz SURYFTWAIKWYGQ-AZUAARDMSA-N 2 0 347.547 3.116 20 0 EGADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)C1C[NH+](CCC2CCCC2)C1 ZINC000950773670 1334126854 /nfs/dbraw/zinc/12/68/54/1334126854.db2.gz QKUNFJAKZXFIGM-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CCC3CCCC3)CC2)cc1 ZINC000951758395 1334311652 /nfs/dbraw/zinc/31/16/52/1334311652.db2.gz JYPJAHFEIVYTOX-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC000952406469 1334450727 /nfs/dbraw/zinc/45/07/27/1334450727.db2.gz AZCAHFVPFNQBEC-GOSISDBHSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708521 1335805462 /nfs/dbraw/zinc/80/54/62/1335805462.db2.gz SRDIHFRHICXRPS-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CC[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968190705 1335868514 /nfs/dbraw/zinc/86/85/14/1335868514.db2.gz LOXPWIXIBWNSOF-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378676 1335909809 /nfs/dbraw/zinc/90/98/09/1335909809.db2.gz RMASRTQULDKLAY-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672958 1336005460 /nfs/dbraw/zinc/00/54/60/1336005460.db2.gz HQDCOLFJDGMLBF-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1=CCCCC1 ZINC000968782013 1336048657 /nfs/dbraw/zinc/04/86/57/1336048657.db2.gz RBBJEWALUWGPSY-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968851048 1336067209 /nfs/dbraw/zinc/06/72/09/1336067209.db2.gz MSDKWHLQTWNNLZ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCCCC2)CC[N@@H+]1C ZINC000968864174 1336072141 /nfs/dbraw/zinc/07/21/41/1336072141.db2.gz RFECUDPCASCXOC-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968882852 1336079243 /nfs/dbraw/zinc/07/92/43/1336079243.db2.gz VQMLTOIWWVTAQN-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888471 1336080295 /nfs/dbraw/zinc/08/02/95/1336080295.db2.gz VQEUVHUKCFPPAR-RTBURBONSA-N 2 0 335.536 3.164 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887806 1336080821 /nfs/dbraw/zinc/08/08/21/1336080821.db2.gz MYYJXWVKMVQBQY-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887866 1336080968 /nfs/dbraw/zinc/08/09/68/1336080968.db2.gz OBBBDJQKZDGTNE-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000969964119 1336267031 /nfs/dbraw/zinc/26/70/31/1336267031.db2.gz CKTMUHNQDVESFM-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000970324970 1336294914 /nfs/dbraw/zinc/29/49/14/1336294914.db2.gz BCXWDUJNMCRJPA-OXQOHEQNSA-N 2 0 347.547 3.020 20 0 EGADRP O=C(N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000970590139 1336324948 /nfs/dbraw/zinc/32/49/48/1336324948.db2.gz UVWGIQMKHWFJSZ-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000970720117 1336335541 /nfs/dbraw/zinc/33/55/41/1336335541.db2.gz YCRRGMOFTGMLKQ-MJGOQNOKSA-N 2 0 335.536 3.044 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001005504534 1336363671 /nfs/dbraw/zinc/36/36/71/1336363671.db2.gz UOFMVQLJUGIHBW-HXUWFJFHSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006119845 1336455142 /nfs/dbraw/zinc/45/51/42/1336455142.db2.gz NMOSNTLGBDBQGR-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001006130816 1336456696 /nfs/dbraw/zinc/45/66/96/1336456696.db2.gz GQTVFSUNOQXODH-WCIBSUBMSA-N 2 0 349.906 3.037 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006273690 1336479566 /nfs/dbraw/zinc/47/95/66/1336479566.db2.gz FODWRAHOYCCQRD-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006442555 1336507055 /nfs/dbraw/zinc/50/70/55/1336507055.db2.gz JFOLIKAVXFWOIB-FQEVSTJZSA-N 2 0 347.547 3.284 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001006443438 1336507087 /nfs/dbraw/zinc/50/70/87/1336507087.db2.gz DRGUGNRODKZSRH-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007646778 1336682999 /nfs/dbraw/zinc/68/29/99/1336682999.db2.gz QGWVOETYRNLKCB-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001007791019 1336701075 /nfs/dbraw/zinc/70/10/75/1336701075.db2.gz YXQBXFKFUWRMDO-ACBHZAAOSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001008281852 1336814695 /nfs/dbraw/zinc/81/46/95/1336814695.db2.gz WXPOBSWHXANLTA-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001008530313 1336876387 /nfs/dbraw/zinc/87/63/87/1336876387.db2.gz IXGVDAOIKWTWQT-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008750587 1336920478 /nfs/dbraw/zinc/92/04/78/1336920478.db2.gz WTBNHECCIHCVMK-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001008763195 1336922651 /nfs/dbraw/zinc/92/26/51/1336922651.db2.gz XUGZXUGZXKGQCJ-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)C2)cc1 ZINC001008883412 1336937234 /nfs/dbraw/zinc/93/72/34/1336937234.db2.gz QZPDQWQXCZIEIH-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001014422869 1337773826 /nfs/dbraw/zinc/77/38/26/1337773826.db2.gz JSRXXSHPKZZFFF-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001014429479 1337776159 /nfs/dbraw/zinc/77/61/59/1337776159.db2.gz YOUYZGPWIUUNTH-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434468 1337776934 /nfs/dbraw/zinc/77/69/34/1337776934.db2.gz MJRMGJFTPKLFMK-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001014705365 1337876095 /nfs/dbraw/zinc/87/60/95/1337876095.db2.gz OWAOVDFHYCOCAA-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014724622 1337885940 /nfs/dbraw/zinc/88/59/40/1337885940.db2.gz VZFNMGRRLWASHT-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015056673 1338004764 /nfs/dbraw/zinc/00/47/64/1338004764.db2.gz HRKKGUGPEPPVNG-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015288422 1338085079 /nfs/dbraw/zinc/08/50/79/1338085079.db2.gz CUWHFHQQGLEMQW-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291874 1338087001 /nfs/dbraw/zinc/08/70/01/1338087001.db2.gz WNSKBUPEGZFDCI-SJLPKXTDSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015387995 1338120928 /nfs/dbraw/zinc/12/09/28/1338120928.db2.gz OHNCMHBNVIRKGC-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001015792689 1338312805 /nfs/dbraw/zinc/31/28/05/1338312805.db2.gz BJIUEKJCVCUBOK-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795746 1338315212 /nfs/dbraw/zinc/31/52/12/1338315212.db2.gz RRKXERRWSIYAJB-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)C2)cc1 ZINC001015856982 1338335583 /nfs/dbraw/zinc/33/55/83/1338335583.db2.gz AYCKNHUYOLRFIN-FQEVSTJZSA-N 2 0 341.499 3.053 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015895722 1338351534 /nfs/dbraw/zinc/35/15/34/1338351534.db2.gz AFYAEWHFLABYJH-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)C2)c1 ZINC001016329897 1338552223 /nfs/dbraw/zinc/55/22/23/1338552223.db2.gz CYUZBFPDIFXDDD-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001016339914 1338555171 /nfs/dbraw/zinc/55/51/71/1338555171.db2.gz SFXFAZQTTUYLJE-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC23CC[NH+](CCC(C)C)CC3)C1 ZINC001016788807 1338727836 /nfs/dbraw/zinc/72/78/36/1338727836.db2.gz DOLJBSWZMMENAR-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001016793315 1338728935 /nfs/dbraw/zinc/72/89/35/1338728935.db2.gz JHWDMISYJUPFCN-BZSNNMDCSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016861681 1338750904 /nfs/dbraw/zinc/75/09/04/1338750904.db2.gz PEIVSPDGWJQQCT-OALUTQOASA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001017141000 1338893941 /nfs/dbraw/zinc/89/39/41/1338893941.db2.gz BDEYDWSZPMGORD-QUCCMNQESA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001017178558 1338923232 /nfs/dbraw/zinc/92/32/32/1338923232.db2.gz ADUIHRRMGJIQQK-JLAWEPINSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)CC1CCCCCC1 ZINC001017262363 1338988432 /nfs/dbraw/zinc/98/84/32/1338988432.db2.gz ZLFLZPQDIAIQRR-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCC1 ZINC001017265948 1338992383 /nfs/dbraw/zinc/99/23/83/1338992383.db2.gz HBXFDYYRVQFXFN-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017554451 1339366884 /nfs/dbraw/zinc/36/68/84/1339366884.db2.gz AAJNIZKTJYJSMT-KDURUIRLSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051358 1339490416 /nfs/dbraw/zinc/49/04/16/1339490416.db2.gz GAIQFBNDGNIUGS-AKHDSKFASA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093034 1340421149 /nfs/dbraw/zinc/42/11/49/1340421149.db2.gz GKBXFAHNXIKDHY-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)C ZINC001028254624 1340514993 /nfs/dbraw/zinc/51/49/93/1340514993.db2.gz YOWCEGKTCNQWBM-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001028335071 1340572477 /nfs/dbraw/zinc/57/24/77/1340572477.db2.gz NLCGUFUEWCKBAO-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028538062 1340693220 /nfs/dbraw/zinc/69/32/20/1340693220.db2.gz ZAYJJPXGRREECS-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595438 1340719565 /nfs/dbraw/zinc/71/95/65/1340719565.db2.gz YUOWIJHUMWGRTM-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029013198 1340909639 /nfs/dbraw/zinc/90/96/39/1340909639.db2.gz VGSYJDXQUPQGEE-DLBZAZTESA-N 2 0 349.519 3.219 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001029107517 1340931731 /nfs/dbraw/zinc/93/17/31/1340931731.db2.gz AHELDKIPGKAKGV-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2C)CC1)[NH+](C)C ZINC001029145107 1340942423 /nfs/dbraw/zinc/94/24/23/1340942423.db2.gz RKBGWARZOPJYOD-XLIONFOSSA-N 2 0 345.531 3.052 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001029145984 1340942676 /nfs/dbraw/zinc/94/26/76/1340942676.db2.gz GGXQDMAQZFFWNL-APWZRJJASA-N 2 0 335.536 3.044 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([C@H](C)[NH2+]C(C)C)CC2)o1 ZINC001029174710 1340948876 /nfs/dbraw/zinc/94/88/76/1340948876.db2.gz HCDPDFVWIWSENI-INIZCTEOSA-N 2 0 349.519 3.360 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001029553630 1341011279 /nfs/dbraw/zinc/01/12/79/1341011279.db2.gz XCPANTXBGQBIAD-MKXGPGLRSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001029972776 1341139899 /nfs/dbraw/zinc/13/98/99/1341139899.db2.gz NNKAHZJVGWEOCN-HXUWFJFHSA-N 2 0 345.531 3.006 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001031813239 1341404789 /nfs/dbraw/zinc/40/47/89/1341404789.db2.gz RCPKFCPTNZBXSW-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001032026717 1341441651 /nfs/dbraw/zinc/44/16/51/1341441651.db2.gz ISVYIHRTBARBNC-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001032119136 1341458589 /nfs/dbraw/zinc/45/85/89/1341458589.db2.gz GTMHOQBNIFDGMD-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032802521 1341618959 /nfs/dbraw/zinc/61/89/59/1341618959.db2.gz CAWUBIKNRVVVCB-UFYCRDLUSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830281 1341628986 /nfs/dbraw/zinc/62/89/86/1341628986.db2.gz JKNGUGSBDHTHEN-FRYIKTPZSA-N 2 0 343.515 3.059 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033077907 1341717806 /nfs/dbraw/zinc/71/78/06/1341717806.db2.gz TXRSKYVRXCWXLQ-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033198728 1341750488 /nfs/dbraw/zinc/75/04/88/1341750488.db2.gz MZFHSWRIHQJCLQ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033354043 1341793394 /nfs/dbraw/zinc/79/33/94/1341793394.db2.gz LXYMZRIRXXODQZ-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033426002 1341822188 /nfs/dbraw/zinc/82/21/88/1341822188.db2.gz MSSVNTMQTHZNRN-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001033549136 1341867322 /nfs/dbraw/zinc/86/73/22/1341867322.db2.gz WOCONHQBSVFWAS-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699548 1341966631 /nfs/dbraw/zinc/96/66/31/1341966631.db2.gz OGRAAURWKAPRBP-MRXNPFEDSA-N 2 0 335.492 3.068 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001033833796 1342034021 /nfs/dbraw/zinc/03/40/21/1342034021.db2.gz AEEGRWFTNOBKQI-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033887805 1342061169 /nfs/dbraw/zinc/06/11/69/1342061169.db2.gz PDXLSRMSNVGUEO-GOSISDBHSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459137 1356392725 /nfs/dbraw/zinc/39/27/25/1356392725.db2.gz ZSSFLCIOBBCXEQ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989630 1342133741 /nfs/dbraw/zinc/13/37/41/1342133741.db2.gz MSDXQODNVWYKFL-RTBURBONSA-N 2 0 349.494 3.033 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003945 1342141857 /nfs/dbraw/zinc/14/18/57/1342141857.db2.gz JKRXILFYIKYBSG-HKUYNNGSSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034204308 1342315506 /nfs/dbraw/zinc/31/55/06/1342315506.db2.gz LQHGXCYWERFAMU-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034272568 1342363756 /nfs/dbraw/zinc/36/37/56/1342363756.db2.gz VUKWLIKIGUPZTB-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCCC[N@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001034284264 1342372448 /nfs/dbraw/zinc/37/24/48/1342372448.db2.gz IJXGDHRZIZFJRC-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCCC[N@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001034284705 1342372854 /nfs/dbraw/zinc/37/28/54/1342372854.db2.gz MOUSUNVIKCVELQ-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034395191 1342463681 /nfs/dbraw/zinc/46/36/81/1342463681.db2.gz VEWNGPRUTWFWSX-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034490027 1342547513 /nfs/dbraw/zinc/54/75/13/1342547513.db2.gz IDCCJYROCYPKDJ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034658797 1342676110 /nfs/dbraw/zinc/67/61/10/1342676110.db2.gz GUEDSUYTJUUQPT-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001034735839 1342728910 /nfs/dbraw/zinc/72/89/10/1342728910.db2.gz NAAJSJBWHQIMRI-MXVIHJGJSA-N 2 0 345.531 3.077 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001034753963 1342739203 /nfs/dbraw/zinc/73/92/03/1342739203.db2.gz NMUGWJLUKPEMQU-WTGUMLROSA-N 2 0 347.547 3.211 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)CC1 ZINC001034763205 1342743231 /nfs/dbraw/zinc/74/32/31/1342743231.db2.gz KGKCDCBFSFFYMR-MXVIHJGJSA-N 2 0 347.547 3.236 20 0 EGADRP CC1(C)CCC(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001034795208 1342761709 /nfs/dbraw/zinc/76/17/09/1342761709.db2.gz WEGHDODKIAXZQU-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034796250 1342762605 /nfs/dbraw/zinc/76/26/05/1342762605.db2.gz GRNVRUBTDJUNDG-CAMMJAKZSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001034938410 1342843931 /nfs/dbraw/zinc/84/39/31/1342843931.db2.gz NHXQEZWHFQQLHV-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC3(CC3)CC2)CCC1 ZINC001034957405 1342852409 /nfs/dbraw/zinc/85/24/09/1342852409.db2.gz SHIQINUBIIDAJV-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001034973352 1342859488 /nfs/dbraw/zinc/85/94/88/1342859488.db2.gz PDSONKBGAQOXBS-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001035022650 1342882311 /nfs/dbraw/zinc/88/23/11/1342882311.db2.gz IIPCWMIKVBRQKL-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035131559 1342947574 /nfs/dbraw/zinc/94/75/74/1342947574.db2.gz NZMBKNLSBWDKEQ-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001209614093 1372151440 /nfs/dbraw/zinc/15/14/40/1372151440.db2.gz NANQZSYWZVMWAX-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@H](C)CC)C2)CC1 ZINC001035189198 1343003405 /nfs/dbraw/zinc/00/34/05/1343003405.db2.gz XYCRBDGWXKTWJH-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227043 1343048730 /nfs/dbraw/zinc/04/87/30/1343048730.db2.gz NCBACURYTDOBDW-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035249028 1343072358 /nfs/dbraw/zinc/07/23/58/1343072358.db2.gz OFGKKPPVMWTPIV-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC3(C[NH+](CCC(C)(C)C)C3)CC2)CC[N@@H+]1C ZINC001035778563 1343188735 /nfs/dbraw/zinc/18/87/35/1343188735.db2.gz IGMKPYGRIDSXKT-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1)[NH+](C)C ZINC001035786915 1343198375 /nfs/dbraw/zinc/19/83/75/1343198375.db2.gz GSVLSLYSLFABBG-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810970 1343210548 /nfs/dbraw/zinc/21/05/48/1343210548.db2.gz ZMBXCRFVDHUFMB-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810878 1343210596 /nfs/dbraw/zinc/21/05/96/1343210596.db2.gz UIRYZFNVNRBTOE-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]C(C)C)o1 ZINC001036601568 1343571069 /nfs/dbraw/zinc/57/10/69/1343571069.db2.gz WHWJNFLGGSJSAU-WMZOPIPTSA-N 2 0 349.519 3.360 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1CC ZINC001037871530 1344153543 /nfs/dbraw/zinc/15/35/43/1344153543.db2.gz CDZULGIDBNUDAF-WMZOPIPTSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038240993 1344339670 /nfs/dbraw/zinc/33/96/70/1344339670.db2.gz RWSDWVBYLRUFDW-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038339377 1344387184 /nfs/dbraw/zinc/38/71/84/1344387184.db2.gz GRGFCZJVWZRBOC-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038467336 1344437222 /nfs/dbraw/zinc/43/72/22/1344437222.db2.gz ZHKAEQTZTAPWIG-UYAOXDASSA-N 2 0 348.450 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038620266 1344507620 /nfs/dbraw/zinc/50/76/20/1344507620.db2.gz BOPOKDAYHDBVRB-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038777798 1344581416 /nfs/dbraw/zinc/58/14/16/1344581416.db2.gz CFMGRYQZJBATGM-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCC2)cc1 ZINC001038818512 1344596022 /nfs/dbraw/zinc/59/60/22/1344596022.db2.gz NNWWADPAKLRMFG-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038909162 1344647302 /nfs/dbraw/zinc/64/73/02/1344647302.db2.gz OHJKWXSFSOEMTL-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237578 1344960609 /nfs/dbraw/zinc/96/06/09/1344960609.db2.gz HQCMTZJGDAPBLJ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039281903 1344995318 /nfs/dbraw/zinc/99/53/18/1344995318.db2.gz AZEYBJMHCYSPMJ-YQQQUEKLSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1)C1CCC1 ZINC001039644870 1345152997 /nfs/dbraw/zinc/15/29/97/1345152997.db2.gz ZNPGWVBTDDOFQG-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001039900206 1345240954 /nfs/dbraw/zinc/24/09/54/1345240954.db2.gz OWGQCSPQTVRFAJ-FGTMMUONSA-N 2 0 337.552 3.074 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001040017298 1345288961 /nfs/dbraw/zinc/28/89/61/1345288961.db2.gz IPCJGVSFUJKIMA-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)C1CC1 ZINC001040239907 1345389858 /nfs/dbraw/zinc/38/98/58/1345389858.db2.gz ASAICOQHRUPEBY-GHTZIAJQSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480102 1345513928 /nfs/dbraw/zinc/51/39/28/1345513928.db2.gz RTVVPMCUZRADRH-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040701728 1345567772 /nfs/dbraw/zinc/56/77/72/1345567772.db2.gz OLNJWVSESIGIBS-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040850159 1345588295 /nfs/dbraw/zinc/58/82/95/1345588295.db2.gz ZKYFECKHGZUGSD-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288572 1345694620 /nfs/dbraw/zinc/69/46/20/1345694620.db2.gz YFMBZGOIFBFXBY-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041335745 1345705593 /nfs/dbraw/zinc/70/55/93/1345705593.db2.gz CTHSOFDMFKHMNH-IBGZPJMESA-N 2 0 349.544 3.148 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042124604 1345950478 /nfs/dbraw/zinc/95/04/78/1345950478.db2.gz IQTGSUMYTAYYOH-IEBWSBKVSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044184295 1346267806 /nfs/dbraw/zinc/26/78/06/1346267806.db2.gz ZXLYENRLWIUFDK-RBUKOAKNSA-N 2 0 347.547 3.140 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC001044184213 1346268223 /nfs/dbraw/zinc/26/82/23/1346268223.db2.gz XZVZWPVCCIGGLR-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001044778235 1346426523 /nfs/dbraw/zinc/42/65/23/1346426523.db2.gz XWZQDKVAYMYWMF-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C[C@@H]2C)CC1 ZINC001044791113 1346428615 /nfs/dbraw/zinc/42/86/15/1346428615.db2.gz FHFPDLDIVABRPS-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC3CC3)C[C@H]2C)o1 ZINC001044876584 1346452818 /nfs/dbraw/zinc/45/28/18/1346452818.db2.gz GJZFHHNIBGYROX-WBVHZDCISA-N 2 0 347.503 3.114 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044882090 1346453753 /nfs/dbraw/zinc/45/37/53/1346453753.db2.gz XTCOLPBXNFFMRW-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC001045044568 1346484850 /nfs/dbraw/zinc/48/48/50/1346484850.db2.gz NPWNRWVETLZVFO-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001045069493 1346489631 /nfs/dbraw/zinc/48/96/31/1346489631.db2.gz ZZXWLRDTHVFCJD-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC001045122895 1346498599 /nfs/dbraw/zinc/49/85/99/1346498599.db2.gz QQMFBVMTVXARJH-UZLBHIALSA-N 2 0 348.450 3.290 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438685 1346594090 /nfs/dbraw/zinc/59/40/90/1346594090.db2.gz VTVIHMLHYHYWED-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045584550 1346637137 /nfs/dbraw/zinc/63/71/37/1346637137.db2.gz GRRMGAZAIPIGFY-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045619507 1346649786 /nfs/dbraw/zinc/64/97/86/1346649786.db2.gz HTNRITCSIPMUNE-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001045792897 1346700015 /nfs/dbraw/zinc/70/00/15/1346700015.db2.gz IRXHNWQUZCUQSC-AQNXPRMDSA-N 2 0 347.547 3.115 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045895593 1346736451 /nfs/dbraw/zinc/73/64/51/1346736451.db2.gz KKWUGIJDFOHBDB-QYZOEREBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943732 1346779057 /nfs/dbraw/zinc/77/90/57/1346779057.db2.gz NKMCVCPUZMXINT-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972562 1346808216 /nfs/dbraw/zinc/80/82/16/1346808216.db2.gz DSXSKEOASMAEHB-FPOVZHCZSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983831 1346823942 /nfs/dbraw/zinc/82/39/42/1346823942.db2.gz RMEKXDLPVNMYJZ-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984760 1346825265 /nfs/dbraw/zinc/82/52/65/1346825265.db2.gz IFUHARCGYVZLPA-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@]1(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](CCC2CC2)C1 ZINC001046315506 1346931267 /nfs/dbraw/zinc/93/12/67/1346931267.db2.gz XBORKRGPRDGANX-GHTZIAJQSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046375730 1346954754 /nfs/dbraw/zinc/95/47/54/1346954754.db2.gz OYKIIOFXJGRJCU-FPOVZHCZSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+](CC2CCCCC2)C1 ZINC001046487215 1346991684 /nfs/dbraw/zinc/99/16/84/1346991684.db2.gz RHPMPENYRMMJAC-HXUWFJFHSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+](CCCC2CCC2)C1 ZINC001046487312 1346992118 /nfs/dbraw/zinc/99/21/18/1346992118.db2.gz UDXPIPAPJZRPMC-HXUWFJFHSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC(C)(C)C)C2)C1 ZINC001046561039 1347017362 /nfs/dbraw/zinc/01/73/62/1347017362.db2.gz AVIXJUVQFAXXOX-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001046561947 1347017948 /nfs/dbraw/zinc/01/79/48/1347017948.db2.gz JYCMGIBOPRLRIV-GHTZIAJQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046561996 1347018273 /nfs/dbraw/zinc/01/82/73/1347018273.db2.gz LCENLLJFMKBVDT-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046562842 1347018556 /nfs/dbraw/zinc/01/85/56/1347018556.db2.gz SKZNKYWUGRKJMW-CTNGQTDRSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCC2CCCCCC2)C1 ZINC001046776883 1347095238 /nfs/dbraw/zinc/09/52/38/1347095238.db2.gz LSTJHBOQVDYEGM-FQEVSTJZSA-N 2 0 347.547 3.023 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047240951 1347266838 /nfs/dbraw/zinc/26/68/38/1347266838.db2.gz LYMCNXBYNXJZDA-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001047870101 1347394588 /nfs/dbraw/zinc/39/45/88/1347394588.db2.gz UEDMXPPYIDIVHB-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001048009246 1347439232 /nfs/dbraw/zinc/43/92/32/1347439232.db2.gz SXQZHLPISIPBFL-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048530182 1347579878 /nfs/dbraw/zinc/57/98/78/1347579878.db2.gz HWWXZFCMSBMRFT-IYWMVGAKSA-N 2 0 347.547 3.186 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048537382 1347583380 /nfs/dbraw/zinc/58/33/80/1347583380.db2.gz RFJMTMKHWUCLGY-REPLKXPHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(C)C)C1 ZINC001048556972 1347591427 /nfs/dbraw/zinc/59/14/27/1347591427.db2.gz ABYXHRAVADNNIB-HAGHYFMRSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048582991 1347605059 /nfs/dbraw/zinc/60/50/59/1347605059.db2.gz BNJSDOCTCAXCJO-LTFPLMDUSA-N 2 0 349.563 3.122 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589964 1347609174 /nfs/dbraw/zinc/60/91/74/1347609174.db2.gz DZOLKQCNEXGPCR-FCGDIQPGSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001048590739 1347609746 /nfs/dbraw/zinc/60/97/46/1347609746.db2.gz XRRCJXMXIFGNLL-GGPHIMKMSA-N 2 0 343.515 3.129 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049165298 1347737401 /nfs/dbraw/zinc/73/74/01/1347737401.db2.gz LWNPFTQDXQYRRL-YSTOQKLRSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1=CCCCC1 ZINC001049370509 1347808704 /nfs/dbraw/zinc/80/87/04/1347808704.db2.gz VYBQTEZKAXDCHY-HSALFYBXSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001049483340 1347871010 /nfs/dbraw/zinc/87/10/10/1347871010.db2.gz VYHMQPRMQTYDGV-MANSERQUSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049524957 1347892487 /nfs/dbraw/zinc/89/24/87/1347892487.db2.gz OTKPUXNDGDRYQG-AQNXPRMDSA-N 2 0 347.547 3.259 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049532372 1347895040 /nfs/dbraw/zinc/89/50/40/1347895040.db2.gz IHDUVGJOCBGRHL-AQNXPRMDSA-N 2 0 347.547 3.138 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535843 1347896980 /nfs/dbraw/zinc/89/69/80/1347896980.db2.gz KJXUILOATCFFEZ-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001049630618 1347943561 /nfs/dbraw/zinc/94/35/61/1347943561.db2.gz RPZTZXHBNKGCQJ-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049725178 1347991374 /nfs/dbraw/zinc/99/13/74/1347991374.db2.gz VSJKHPNRIXJUSD-MISYRCLQSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768087 1348011541 /nfs/dbraw/zinc/01/15/41/1348011541.db2.gz SKUKAKGKAHRMOY-AQNXPRMDSA-N 2 0 347.547 3.281 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC(C)(C)C)CC1 ZINC001049767751 1348011667 /nfs/dbraw/zinc/01/16/67/1348011667.db2.gz QYJDJCMKTRAHAK-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001050265227 1348222769 /nfs/dbraw/zinc/22/27/69/1348222769.db2.gz LMKNYQLLYYYOHB-OXJNMPFZSA-N 2 0 343.515 3.238 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001050367235 1348240460 /nfs/dbraw/zinc/24/04/60/1348240460.db2.gz JKPJYODEHOKXEV-ZHALLVOQSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050385969 1348246656 /nfs/dbraw/zinc/24/66/56/1348246656.db2.gz DAVPPIBBYRTTPO-MUGJNUQGSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)C)CC3)C1 ZINC001050629861 1348308583 /nfs/dbraw/zinc/30/85/83/1348308583.db2.gz HTXYZSCQAXJUNO-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001079849511 1357400779 /nfs/dbraw/zinc/40/07/79/1357400779.db2.gz UARPZIKGIFFMEC-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001051348550 1348439555 /nfs/dbraw/zinc/43/95/55/1348439555.db2.gz MDSWIJMEKLTSIU-MISYRCLQSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052369449 1348534290 /nfs/dbraw/zinc/53/42/90/1348534290.db2.gz RCTAUJUXVLELEG-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001052377725 1348535623 /nfs/dbraw/zinc/53/56/23/1348535623.db2.gz QRWFWIWSVOGDDE-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381383 1348536866 /nfs/dbraw/zinc/53/68/66/1348536866.db2.gz PRYDSNMRCXUQGJ-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)CC[N@@H+]1C ZINC001052390443 1348539096 /nfs/dbraw/zinc/53/90/96/1348539096.db2.gz GEXBTBJSKWBSLD-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448298 1348544111 /nfs/dbraw/zinc/54/41/11/1348544111.db2.gz XBAURIBZSQSNOW-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052499215 1348559560 /nfs/dbraw/zinc/55/95/60/1348559560.db2.gz QHYRQGQUWHSZFU-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515298 1348563733 /nfs/dbraw/zinc/56/37/33/1348563733.db2.gz CSZRPQITAQGNMS-RBUKOAKNSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052715581 1348645373 /nfs/dbraw/zinc/64/53/73/1348645373.db2.gz GASDQNNDUBNVDO-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC001052716707 1348646473 /nfs/dbraw/zinc/64/64/73/1348646473.db2.gz OXCMNBPWEFNFMP-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052764379 1348669165 /nfs/dbraw/zinc/66/91/65/1348669165.db2.gz NSCHIMJROIMJOR-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC001052767625 1348671468 /nfs/dbraw/zinc/67/14/68/1348671468.db2.gz XKVNBPXLVGKZBK-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857528 1348704533 /nfs/dbraw/zinc/70/45/33/1348704533.db2.gz OHSJBEOKLHDXEU-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052955184 1348769290 /nfs/dbraw/zinc/76/92/90/1348769290.db2.gz AIDOQFFMHDNNCS-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956857 1348771065 /nfs/dbraw/zinc/77/10/65/1348771065.db2.gz AHZRAWRACYQOJH-FUHWJXTLSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001053029103 1348828580 /nfs/dbraw/zinc/82/85/80/1348828580.db2.gz YNQGTNNCPTXINN-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100200 1348933468 /nfs/dbraw/zinc/93/34/68/1348933468.db2.gz FERYQIJPRNDKTK-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159461 1349161568 /nfs/dbraw/zinc/16/15/68/1349161568.db2.gz VSWNPXXMLJNQEO-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)[NH+](C)C ZINC001054198735 1349200921 /nfs/dbraw/zinc/20/09/21/1349200921.db2.gz FPCZTDAMCZFUOA-GHTZIAJQSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1)[NH+](C)C ZINC001054199217 1349201666 /nfs/dbraw/zinc/20/16/66/1349201666.db2.gz QEGVNXCLEDXCHP-FXAWDEMLSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@H]2C)C1 ZINC001080311054 1357568875 /nfs/dbraw/zinc/56/88/75/1357568875.db2.gz PPNGDGITYHCTMI-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@H]2C)C1 ZINC001080449498 1357623911 /nfs/dbraw/zinc/62/39/11/1357623911.db2.gz NIONFYFUKZGPPX-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001082747564 1358085937 /nfs/dbraw/zinc/08/59/37/1358085937.db2.gz ZVCVOUOETCSXSC-AHRSYUTCSA-N 2 0 345.531 3.087 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071628182 1354811614 /nfs/dbraw/zinc/81/16/14/1354811614.db2.gz NYTNFVIZPOTYBL-RDJZCZTQSA-N 2 0 340.471 3.192 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895972 1355011129 /nfs/dbraw/zinc/01/11/29/1355011129.db2.gz CRVUZEARPDSFCR-XLIONFOSSA-N 2 0 343.515 3.297 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001072301110 1355228509 /nfs/dbraw/zinc/22/85/09/1355228509.db2.gz NMTCRUMCPUZMCF-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073126120 1355610339 /nfs/dbraw/zinc/61/03/39/1355610339.db2.gz WQDDLEVTZZAGFB-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001074028735 1356042733 /nfs/dbraw/zinc/04/27/33/1356042733.db2.gz JAGUTQMHRGUIRR-RTBURBONSA-N 2 0 335.536 3.140 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001074101432 1356084227 /nfs/dbraw/zinc/08/42/27/1356084227.db2.gz MJBFFSXVAJLZGG-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074565027 1356209805 /nfs/dbraw/zinc/20/98/05/1356209805.db2.gz OBECKYGEYGFWGM-YTQUADARSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074684134 1356223739 /nfs/dbraw/zinc/22/37/39/1356223739.db2.gz GQVTYAMUQADSCB-SXLOBPIMSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001074686152 1356224644 /nfs/dbraw/zinc/22/46/44/1356224644.db2.gz SCZFWHWHVXNRPJ-SZMVWBNQSA-N 2 0 349.544 3.090 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C)c1ccccc1 ZINC001074809596 1356249894 /nfs/dbraw/zinc/24/98/94/1356249894.db2.gz UAZDFCUBURDZGN-LEAZDLGRSA-N 2 0 343.515 3.201 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074824849 1356256551 /nfs/dbraw/zinc/25/65/51/1356256551.db2.gz ZKLGGRSZFWJARV-SXLOBPIMSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183256390 1387286569 /nfs/dbraw/zinc/28/65/69/1387286569.db2.gz VIGKUYNBHQNCTN-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099315156 1363745426 /nfs/dbraw/zinc/74/54/26/1363745426.db2.gz BYIFLOFVRREROT-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082558342 1358056911 /nfs/dbraw/zinc/05/69/11/1358056911.db2.gz LGVQKHJKALXOJC-YZGWKJHDSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082705517 1358078606 /nfs/dbraw/zinc/07/86/06/1358078606.db2.gz IQVDATIWRKOHOA-LCLWPZTBSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082783318 1358092489 /nfs/dbraw/zinc/09/24/89/1358092489.db2.gz QUYVJXBUWLFUSA-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963257 1358355595 /nfs/dbraw/zinc/35/55/95/1358355595.db2.gz IGXXLAZRZPDGFT-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049752 1358377966 /nfs/dbraw/zinc/37/79/66/1358377966.db2.gz WQVZOAADSQFBGV-AQNXPRMDSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049778 1358378324 /nfs/dbraw/zinc/37/83/24/1358378324.db2.gz YKLBTYSCSQGBIM-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(C)C)[C@H]2C1 ZINC001085072756 1358383194 /nfs/dbraw/zinc/38/31/94/1358383194.db2.gz SXVFFWCQRGGDJY-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085152619 1358413457 /nfs/dbraw/zinc/41/34/57/1358413457.db2.gz KXGXEJCUHMHHST-QRVBRYPASA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199407 1358432297 /nfs/dbraw/zinc/43/22/97/1358432297.db2.gz KAQZSJYPJPDOTD-DFQSSKMNSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199672 1358432369 /nfs/dbraw/zinc/43/23/69/1358432369.db2.gz XORVDWXVESIMGK-QXAKKESOSA-N 2 0 335.536 3.066 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001085204724 1358432692 /nfs/dbraw/zinc/43/26/92/1358432692.db2.gz GLTFPSVCISWJOF-MTQWCTHYSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)C1 ZINC001085393857 1358487585 /nfs/dbraw/zinc/48/75/85/1358487585.db2.gz MYPSQAIACUHNHS-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085629428 1358646230 /nfs/dbraw/zinc/64/62/30/1358646230.db2.gz UDIKGFBXUOZCAG-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085639947 1358653995 /nfs/dbraw/zinc/65/39/95/1358653995.db2.gz ZDUPPXXBYSINJV-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085687684 1358688405 /nfs/dbraw/zinc/68/84/05/1358688405.db2.gz SUWBXQVBUBMRSI-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085854868 1358822454 /nfs/dbraw/zinc/82/24/54/1358822454.db2.gz JPNLQZUHXOEZCK-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001086138517 1359006269 /nfs/dbraw/zinc/00/62/69/1359006269.db2.gz MWBFAWLLYVGTRQ-TXPKVOOTSA-N 2 0 348.450 3.194 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086364500 1359078474 /nfs/dbraw/zinc/07/84/74/1359078474.db2.gz HQWDMCXCBLACCI-VAMGGRTRSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086497453 1359120380 /nfs/dbraw/zinc/12/03/80/1359120380.db2.gz MKYPIDAXQDDJBY-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086497289 1359120757 /nfs/dbraw/zinc/12/07/57/1359120757.db2.gz FZCKMLXHYPGTCR-WDSOQIARSA-N 2 0 349.563 3.170 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086558708 1359145097 /nfs/dbraw/zinc/14/50/97/1359145097.db2.gz LEOLMMWXHQADBP-WFAGLZIHSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001086746632 1359194313 /nfs/dbraw/zinc/19/43/13/1359194313.db2.gz IXZDZTUSTDERDH-PKOBYXMFSA-N 2 0 348.450 3.023 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086788087 1359201575 /nfs/dbraw/zinc/20/15/75/1359201575.db2.gz ZFIYREOANAASIC-FUHWJXTLSA-N 2 0 347.503 3.020 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956729 1359277559 /nfs/dbraw/zinc/27/75/59/1359277559.db2.gz WASSAOIEBAUXTO-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087235972 1359328132 /nfs/dbraw/zinc/32/81/32/1359328132.db2.gz BSGNYAZLEABRRZ-HOJAQTOUSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001087246050 1359329818 /nfs/dbraw/zinc/32/98/18/1359329818.db2.gz WOVYLUIBJDPJCB-GGPKGHCWSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1CC ZINC001087593609 1359547873 /nfs/dbraw/zinc/54/78/73/1359547873.db2.gz MWMZCICQXKPQHJ-XUVXKRRUSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602609 1359550802 /nfs/dbraw/zinc/55/08/02/1359550802.db2.gz WLTFZYGMBPJGKA-IPMKNSEASA-N 2 0 335.536 3.163 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001087671590 1359582685 /nfs/dbraw/zinc/58/26/85/1359582685.db2.gz GEJRPXQJHTVKGT-XUVXKRRUSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001087684963 1359588178 /nfs/dbraw/zinc/58/81/78/1359588178.db2.gz ZEQXQOAYQYKMOH-DLBZAZTESA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001087684968 1359588268 /nfs/dbraw/zinc/58/82/68/1359588268.db2.gz ZINCVZNTQCIBOA-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001087684557 1359588592 /nfs/dbraw/zinc/58/85/92/1359588592.db2.gz AALIGDZVYMINMZ-RBUKOAKNSA-N 2 0 343.515 3.030 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728365 1359613958 /nfs/dbraw/zinc/61/39/58/1359613958.db2.gz SSLXXKRRBKEFFN-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC001323657150 1387417092 /nfs/dbraw/zinc/41/70/92/1387417092.db2.gz WMWNCKXNTJMLHP-MPGHIAIKSA-N 2 0 340.471 3.120 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327334 1359831347 /nfs/dbraw/zinc/83/13/47/1359831347.db2.gz LCXFVYZSNFJWAD-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP Cc1c(C(=O)N2CCCCC[C@@H]([NH2+]C(C)C)C2)ccc2c[nH+]cn21 ZINC001088337522 1359832178 /nfs/dbraw/zinc/83/21/78/1359832178.db2.gz HTWWYVWRHINRLW-MRXNPFEDSA-N 2 0 328.460 3.026 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001088382055 1359865196 /nfs/dbraw/zinc/86/51/96/1359865196.db2.gz SVYPIUYWKVSYOC-FQEVSTJZSA-N 2 0 345.531 3.174 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088411744 1359882651 /nfs/dbraw/zinc/88/26/51/1359882651.db2.gz PADCZWZVPPVAJU-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001088425731 1359894611 /nfs/dbraw/zinc/89/46/11/1359894611.db2.gz BJNMDJJZVVALJV-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088429913 1359897509 /nfs/dbraw/zinc/89/75/09/1359897509.db2.gz CXFMBLATRGBTOE-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088563845 1359974569 /nfs/dbraw/zinc/97/45/69/1359974569.db2.gz IXHMNHAVVSAUSW-YZGWKJHDSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088693188 1360015374 /nfs/dbraw/zinc/01/53/74/1360015374.db2.gz ONGPSTXCAUMAOH-NZSAHSFTSA-N 2 0 349.563 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088810289 1360059242 /nfs/dbraw/zinc/05/92/42/1360059242.db2.gz UPIUOIYBAGGNAV-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088810315 1360059561 /nfs/dbraw/zinc/05/95/61/1360059561.db2.gz XPWQTYDDAVZTAR-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897563 1360097386 /nfs/dbraw/zinc/09/73/86/1360097386.db2.gz NQZSTHDEJDZDFU-RYRKJORJSA-N 2 0 349.544 3.092 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1C ZINC001088970679 1360119534 /nfs/dbraw/zinc/11/95/34/1360119534.db2.gz KQHIHELUCOSATI-NEWSRXKRSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001089188720 1360238532 /nfs/dbraw/zinc/23/85/32/1360238532.db2.gz BGXGGSBGRBTTCF-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)[NH+](C)C ZINC001089191757 1360240383 /nfs/dbraw/zinc/24/03/83/1360240383.db2.gz DSMQPYHVOVNJEU-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001089227398 1360268709 /nfs/dbraw/zinc/26/87/09/1360268709.db2.gz SXVUXPJNIWKAOA-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089381790 1360383694 /nfs/dbraw/zinc/38/36/94/1360383694.db2.gz NYPKTCYFLQCOFQ-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001089385279 1360386891 /nfs/dbraw/zinc/38/68/91/1360386891.db2.gz GCFUTWKHUGMERJ-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406695 1360405025 /nfs/dbraw/zinc/40/50/25/1360405025.db2.gz QRJWLRHWJCXKHR-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001089459398 1360445908 /nfs/dbraw/zinc/44/59/08/1360445908.db2.gz VTJMNQHROUVTLN-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477028 1360459698 /nfs/dbraw/zinc/45/96/98/1360459698.db2.gz JREQRXWLOLTTTH-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487798 1360467861 /nfs/dbraw/zinc/46/78/61/1360467861.db2.gz OHLWQCRPFUXWPE-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493630 1360470609 /nfs/dbraw/zinc/47/06/09/1360470609.db2.gz YLVYDTGUVWTDTP-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089528019 1360491833 /nfs/dbraw/zinc/49/18/33/1360491833.db2.gz ZFKWNSYCEJTDET-IBGZPJMESA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089564792 1360511690 /nfs/dbraw/zinc/51/16/90/1360511690.db2.gz JJWQDJAFDZTYHP-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001323833054 1387468869 /nfs/dbraw/zinc/46/88/69/1387468869.db2.gz VCGZDNNAXOGHNH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001091198411 1361004808 /nfs/dbraw/zinc/00/48/08/1361004808.db2.gz GDEKEFBEQMKAEW-GPJFCIFZSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)CC1 ZINC001091306648 1361037514 /nfs/dbraw/zinc/03/75/14/1361037514.db2.gz USWBBBGUJVBBMB-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001184577033 1387496556 /nfs/dbraw/zinc/49/65/56/1387496556.db2.gz KGOBQRIZYXYXLS-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184609630 1387499973 /nfs/dbraw/zinc/49/99/73/1387499973.db2.gz REWJUMGJVDKGFI-PYTPGESOSA-N 2 0 335.536 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910125 1361243326 /nfs/dbraw/zinc/24/33/26/1361243326.db2.gz JKNNOHFFOSKPRO-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001094379826 1361780079 /nfs/dbraw/zinc/78/00/79/1361780079.db2.gz CJKPTZCKOMEOQI-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001094449914 1361805104 /nfs/dbraw/zinc/80/51/04/1361805104.db2.gz ZDPAHVJVMKHPCH-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(C)C)CC3)C1 ZINC001094493897 1361829778 /nfs/dbraw/zinc/82/97/78/1361829778.db2.gz VJVVFIBUSQBARQ-QKNQBKEWSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585301 1361871231 /nfs/dbraw/zinc/87/12/31/1361871231.db2.gz RPACKNUQLHFEHE-QWFCFKBJSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)[C@H](C)C2)c(C)n1 ZINC001184852230 1387549618 /nfs/dbraw/zinc/54/96/18/1387549618.db2.gz UOSZTAXIXAMTFK-UHZVSMRUSA-N 2 0 349.906 3.447 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095534027 1362163705 /nfs/dbraw/zinc/16/37/05/1362163705.db2.gz XABATMRWKGEJLH-YRXWBPOGSA-N 2 0 335.536 3.017 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001324339274 1387598118 /nfs/dbraw/zinc/59/81/18/1387598118.db2.gz BNWYGKOICLWIKS-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115770 1363632246 /nfs/dbraw/zinc/63/22/46/1363632246.db2.gz JRFHHWURWGJTMB-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153402 1363659437 /nfs/dbraw/zinc/65/94/37/1363659437.db2.gz KFYAMKXVZPDCAR-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001099166328 1363665823 /nfs/dbraw/zinc/66/58/23/1363665823.db2.gz UQERWUACNAOBOP-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001099171833 1363670191 /nfs/dbraw/zinc/67/01/91/1363670191.db2.gz UZCGEMNRBOSTEE-ZGKJDNBHSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215371 1363696655 /nfs/dbraw/zinc/69/66/55/1363696655.db2.gz UCUAAPNDJAGICI-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215373 1363696673 /nfs/dbraw/zinc/69/66/73/1363696673.db2.gz UCUAAPNDJAGICI-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099239604 1363708551 /nfs/dbraw/zinc/70/85/51/1363708551.db2.gz HNBQWXLHEVMMOB-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099275932 1363726744 /nfs/dbraw/zinc/72/67/44/1363726744.db2.gz LPULHNCXMHBUBA-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099296428 1363736556 /nfs/dbraw/zinc/73/65/56/1363736556.db2.gz AVUKFKXJZPUVQF-BLGFXRMMSA-N 2 0 337.552 3.291 20 0 EGADRP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099316271 1363746525 /nfs/dbraw/zinc/74/65/25/1363746525.db2.gz PRBOOZPEOYEGNA-GIFJBRJJSA-N 2 0 337.552 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099320760 1363748479 /nfs/dbraw/zinc/74/84/79/1363748479.db2.gz MDHDHISGWXTCDC-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348022 1363764925 /nfs/dbraw/zinc/76/49/25/1363764925.db2.gz FITAFOMZIWULJS-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353802 1363767980 /nfs/dbraw/zinc/76/79/80/1363767980.db2.gz GMRFAIFTGCLHFV-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405687 1364104196 /nfs/dbraw/zinc/10/41/96/1364104196.db2.gz IZNDBTVXVFIPOA-AFMYVXGZSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100406058 1364104286 /nfs/dbraw/zinc/10/42/86/1364104286.db2.gz ZAFRFBKFDVHVHS-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001100681203 1364215789 /nfs/dbraw/zinc/21/57/89/1364215789.db2.gz BFODVPXQHCFKAT-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(CC)CC)C1 ZINC001100765152 1364251790 /nfs/dbraw/zinc/25/17/90/1364251790.db2.gz VGELMXMWHYHDPB-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)C(C)C ZINC001100765824 1364251902 /nfs/dbraw/zinc/25/19/02/1364251902.db2.gz CKRLVOQRCJEKRA-MHJFOBGBSA-N 2 0 349.563 3.338 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CC([NH2+]CCCC(C)C)C1)C(C)C ZINC001100766092 1364251906 /nfs/dbraw/zinc/25/19/06/1364251906.db2.gz PDGPFWMALKLPDV-CTWPCTMYSA-N 2 0 339.568 3.273 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001100855112 1364293880 /nfs/dbraw/zinc/29/38/80/1364293880.db2.gz QZUUQJDYOIYLQH-XTXLOEGASA-N 2 0 345.531 3.138 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)C1 ZINC001100872862 1364305421 /nfs/dbraw/zinc/30/54/21/1364305421.db2.gz MGCYRXYNKHCYIG-XEVCZEQESA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100898446 1364320211 /nfs/dbraw/zinc/32/02/11/1364320211.db2.gz GFIYMCZRSUPWAJ-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001101024919 1364379757 /nfs/dbraw/zinc/37/97/57/1364379757.db2.gz MHOZYGCTXRNZHG-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001101036026 1364383117 /nfs/dbraw/zinc/38/31/17/1364383117.db2.gz GZVRGIDMMYXRRY-XIMCWOHTSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101036356 1364383785 /nfs/dbraw/zinc/38/37/85/1364383785.db2.gz NZVOZONIGLCAJW-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001101550633 1364613556 /nfs/dbraw/zinc/61/35/56/1364613556.db2.gz SJTDXWUYPPTYCZ-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001101592224 1364643538 /nfs/dbraw/zinc/64/35/38/1364643538.db2.gz SOJFGJGVDBYCDB-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001101596362 1364647123 /nfs/dbraw/zinc/64/71/23/1364647123.db2.gz VHJFPMDUULCYQR-IRXDYDNUSA-N 2 0 337.552 3.122 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101597528 1364648220 /nfs/dbraw/zinc/64/82/20/1364648220.db2.gz OXAAPBRAYQTBTM-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185410302 1387707074 /nfs/dbraw/zinc/70/70/74/1387707074.db2.gz BSQBMSKDPUKVPP-ICSRJNTNSA-N 2 0 349.563 3.147 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC001324640991 1387713551 /nfs/dbraw/zinc/71/35/51/1387713551.db2.gz HJNQFUUNOXKMKD-SQEWALACSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375479 1365029228 /nfs/dbraw/zinc/02/92/28/1365029228.db2.gz LWHMQPRMZXLTGI-IEBWSBKVSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185446461 1387718843 /nfs/dbraw/zinc/71/88/43/1387718843.db2.gz MKXGVFZPCDKIRB-HKVOBHHDSA-N 2 0 337.552 3.149 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524690 1365099429 /nfs/dbraw/zinc/09/94/29/1365099429.db2.gz RFJQADKOMITFCJ-FAPWYTRCSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102524642 1365099610 /nfs/dbraw/zinc/09/96/10/1365099610.db2.gz PDUFYNRNABPRHC-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598878 1365131388 /nfs/dbraw/zinc/13/13/88/1365131388.db2.gz DZNMEQJTKLYEBW-BGEOSOQGSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782292 1365215645 /nfs/dbraw/zinc/21/56/45/1365215645.db2.gz KJESHYVOUCFIQL-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185527357 1387739717 /nfs/dbraw/zinc/73/97/17/1387739717.db2.gz QLVFTSIQYKLRSZ-RBUKOAKNSA-N 2 0 339.568 3.373 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001103157910 1365414242 /nfs/dbraw/zinc/41/42/42/1365414242.db2.gz IPRQDLCJLWVGPD-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001103271644 1365465474 /nfs/dbraw/zinc/46/54/74/1365465474.db2.gz YIAIPTAPYXITSX-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185546491 1387744533 /nfs/dbraw/zinc/74/45/33/1387744533.db2.gz CKMJBMPSHGZZDQ-PXEQJPNCSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360396 1365517265 /nfs/dbraw/zinc/51/72/65/1365517265.db2.gz CBAXIPRHJNGONM-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426799 1365553338 /nfs/dbraw/zinc/55/33/38/1365553338.db2.gz NMPRAZJFYZBBFE-GUDVDZBRSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103433240 1365557336 /nfs/dbraw/zinc/55/73/36/1365557336.db2.gz AJRQEYRVCJYOJV-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103433242 1365557466 /nfs/dbraw/zinc/55/74/66/1365557466.db2.gz AJRQEYRVCJYOJV-VMASUYHGSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439515 1365561737 /nfs/dbraw/zinc/56/17/37/1365561737.db2.gz GBLCPTOMJBGCGV-QZTJIDSGSA-N 2 0 337.552 3.005 20 0 EGADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001103445150 1365564313 /nfs/dbraw/zinc/56/43/13/1365564313.db2.gz ZZJBJVVJGDEDTG-RLLQIKCJSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103634173 1365692025 /nfs/dbraw/zinc/69/20/25/1365692025.db2.gz QRSHQKFVTWMMTL-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001185609720 1387760376 /nfs/dbraw/zinc/76/03/76/1387760376.db2.gz MXVYWEWYHCHAPK-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753347 1365764996 /nfs/dbraw/zinc/76/49/96/1365764996.db2.gz DCZBKIXBGOYPRG-QZTJIDSGSA-N 2 0 345.531 3.092 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291271 1365977660 /nfs/dbraw/zinc/97/76/60/1365977660.db2.gz KUHOJFALYYHGBW-LAWBKWBHSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104294290 1365978102 /nfs/dbraw/zinc/97/81/02/1365978102.db2.gz HTRUDNWNMOEPKX-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001185707200 1387783220 /nfs/dbraw/zinc/78/32/20/1387783220.db2.gz YWDLCBRKILVJEX-MOPGFXCFSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001185731335 1387785908 /nfs/dbraw/zinc/78/59/08/1387785908.db2.gz RQSADOWFSJTDSE-PKOBYXMFSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682628 1366129875 /nfs/dbraw/zinc/12/98/75/1366129875.db2.gz XRNRZWBUHJEHCK-QZTJIDSGSA-N 2 0 337.552 3.005 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832824 1366192939 /nfs/dbraw/zinc/19/29/39/1366192939.db2.gz VPGARCZDIUYRES-BGEOSOQGSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104909084 1366219546 /nfs/dbraw/zinc/21/95/46/1366219546.db2.gz WOCWKOGFXJJQCC-VMASUYHGSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104923941 1366225954 /nfs/dbraw/zinc/22/59/54/1366225954.db2.gz FEOKVWDVAQIEPM-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001324897406 1387809292 /nfs/dbraw/zinc/80/92/92/1387809292.db2.gz LIPXZSUOTWMTHZ-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2[NH+](C(C)C)CC23CCC3)CC1 ZINC001105393618 1366442020 /nfs/dbraw/zinc/44/20/20/1366442020.db2.gz CWQSGTQNHPCDDU-SFHVURJKSA-N 2 0 349.563 3.218 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC2([NH+](C)C)CCCC2)CCC1 ZINC001105549197 1366524641 /nfs/dbraw/zinc/52/46/41/1366524641.db2.gz CUBVQYXHZVAEPJ-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556783 1366529255 /nfs/dbraw/zinc/52/92/55/1366529255.db2.gz PIWHNPMISTYIQM-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105559084 1366530289 /nfs/dbraw/zinc/53/02/89/1366530289.db2.gz KOVYJQKZQFYNCO-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105561284 1366531142 /nfs/dbraw/zinc/53/11/42/1366531142.db2.gz KRJLOBJFQULOIA-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC(C[NH2+]CC2([C@@H]3CCCCN3C(=O)CC[NH+](C)C)CCC2)C1 ZINC001105561430 1366531271 /nfs/dbraw/zinc/53/12/71/1366531271.db2.gz LWOYIJSIISTSSL-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1)[NH+](C)C ZINC001105566529 1366534909 /nfs/dbraw/zinc/53/49/09/1366534909.db2.gz OXFLTJPZISKDNO-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105574527 1366539353 /nfs/dbraw/zinc/53/93/53/1366539353.db2.gz AFGOCQLSPFQNRG-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107443124 1366964882 /nfs/dbraw/zinc/96/48/82/1366964882.db2.gz ZUYVVNGNTZILGT-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442356 1366965094 /nfs/dbraw/zinc/96/50/94/1366965094.db2.gz CRLCEWFHZGWNAT-QKNQBKEWSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455106 1366969725 /nfs/dbraw/zinc/96/97/25/1366969725.db2.gz WTESEZYHGVPVKH-SQGPQFPESA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CC(=O)NC[C@]1(C)CCC[NH+](CCC2CCCC2)C1)C1CCC1 ZINC001324945620 1387843041 /nfs/dbraw/zinc/84/30/41/1387843041.db2.gz ZVRBGKMPBVFVTB-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567875 1367048285 /nfs/dbraw/zinc/04/82/85/1367048285.db2.gz OLJWOJSMGBAXKQ-TZIWHRDSSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567260 1367049095 /nfs/dbraw/zinc/04/90/95/1367049095.db2.gz PJDVXFJLHCZCSG-QKNQBKEWSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568013 1367049148 /nfs/dbraw/zinc/04/91/48/1367049148.db2.gz RGZFFRCOBFECGX-FBBABVLZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001107615480 1367074427 /nfs/dbraw/zinc/07/44/27/1367074427.db2.gz CSNKUPRYWMBRCT-UYAOXDASSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](C[C@@H](C)CC)CC2 ZINC001107616236 1367074864 /nfs/dbraw/zinc/07/48/64/1367074864.db2.gz ZDAUELXSEPNPNC-NLWGTHIKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(CC)CC)CC2 ZINC001107617326 1367075908 /nfs/dbraw/zinc/07/59/08/1367075908.db2.gz FQZUFNAQZFEVNF-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644835 1367090558 /nfs/dbraw/zinc/09/05/58/1367090558.db2.gz ISBIONQNDMBBNJ-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109371759 1367091018 /nfs/dbraw/zinc/09/10/18/1367091018.db2.gz SYGHRURLDVZEKJ-YDZRNGNQSA-N 2 0 349.563 3.409 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001189772117 1367106143 /nfs/dbraw/zinc/10/61/43/1367106143.db2.gz WDTOQKLYPFBXTD-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001109428287 1367116306 /nfs/dbraw/zinc/11/63/06/1367116306.db2.gz XWDXQPUNHXGUDK-FYQPLNBISA-N 2 0 347.547 3.185 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC2(CCC2)C1 ZINC001109464404 1367137795 /nfs/dbraw/zinc/13/77/95/1367137795.db2.gz YWMFOOAUDYVCHP-SQNIBIBYSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1 ZINC001109463919 1367137945 /nfs/dbraw/zinc/13/79/45/1367137945.db2.gz CUCHYTNYKGAKSY-YSHGAJCASA-N 2 0 343.515 3.199 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109484964 1367153177 /nfs/dbraw/zinc/15/31/77/1367153177.db2.gz BJBPQIOENGCDLF-SQNIBIBYSA-N 2 0 347.547 3.163 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190174541 1367190745 /nfs/dbraw/zinc/19/07/45/1367190745.db2.gz FKCMWAVUIVGUPG-GOSISDBHSA-N 2 0 337.552 3.364 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724352 1367293442 /nfs/dbraw/zinc/29/34/42/1367293442.db2.gz OFVLAXMIDGVBQW-ISMNZJHXSA-N 2 0 335.536 3.042 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655566 1367319048 /nfs/dbraw/zinc/31/90/48/1367319048.db2.gz QJINVSDNPAXHTL-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796839 1367327553 /nfs/dbraw/zinc/32/75/53/1367327553.db2.gz ICTRVKKYOVXOPF-ZRNYENFQSA-N 2 0 349.563 3.409 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743587 1367341392 /nfs/dbraw/zinc/34/13/92/1367341392.db2.gz LUWFPPYOFIUOSJ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C)C(C)C ZINC001109859991 1367363935 /nfs/dbraw/zinc/36/39/35/1367363935.db2.gz FANSBDUDUFFZRX-YDZRNGNQSA-N 2 0 335.536 3.041 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878067 1367376783 /nfs/dbraw/zinc/37/67/83/1367376783.db2.gz GAEMBWPETJYZOI-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162219 1367436707 /nfs/dbraw/zinc/43/67/07/1367436707.db2.gz NAIWUUQHBGPZGM-QWNKOJSDSA-N 2 0 340.471 3.227 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110018050 1367460414 /nfs/dbraw/zinc/46/04/14/1367460414.db2.gz YUOZMDQPOANZOM-SQNIBIBYSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001110161360 1367535147 /nfs/dbraw/zinc/53/51/47/1367535147.db2.gz BZHRMBHGLOHKKW-XWSJACJDSA-N 2 0 349.563 3.265 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717154 1367553991 /nfs/dbraw/zinc/55/39/91/1367553991.db2.gz BQGLMMWDCAPXSB-MFEJMLCPSA-N 2 0 349.563 3.432 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108783810 1367594130 /nfs/dbraw/zinc/59/41/30/1367594130.db2.gz COWPHDYIKXXMQF-UFYCRDLUSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789921 1367598302 /nfs/dbraw/zinc/59/83/02/1367598302.db2.gz VTKDGGOGPKTPBJ-IHPCNDPISA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1)[NH+](CC)CC ZINC001192323044 1367750666 /nfs/dbraw/zinc/75/06/66/1367750666.db2.gz AAIXQHKJDSCAAC-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccccc1C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192385865 1367770809 /nfs/dbraw/zinc/77/08/09/1367770809.db2.gz LZCVGQDNCLHQOC-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192394868 1367771946 /nfs/dbraw/zinc/77/19/46/1367771946.db2.gz FYQWUOZMDABVRA-ROUUACIJSA-N 2 0 339.568 3.179 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406067 1367774877 /nfs/dbraw/zinc/77/48/77/1367774877.db2.gz AAFQIHOYGQNENN-IEBWSBKVSA-N 2 0 345.531 3.258 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671465 1367846006 /nfs/dbraw/zinc/84/60/06/1367846006.db2.gz KXPNVYBOZBLFCY-LXORQPIJSA-N 2 0 335.536 3.138 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCCCCF)C2)cc1 ZINC001192846301 1367886197 /nfs/dbraw/zinc/88/61/97/1367886197.db2.gz LKSXXGZRSSHCIR-LJQANCHMSA-N 2 0 349.494 3.034 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)C(C)C ZINC001192918189 1367904587 /nfs/dbraw/zinc/90/45/87/1367904587.db2.gz YGFKSCRZVCQILG-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001193423695 1368025877 /nfs/dbraw/zinc/02/58/77/1368025877.db2.gz DEXKFINYLMPPTE-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)C/C=C/Cl)C1 ZINC001193425285 1368026404 /nfs/dbraw/zinc/02/64/04/1368026404.db2.gz UXKUIHXRLNBFDJ-PYUISTEWSA-N 2 0 343.943 3.174 20 0 EGADRP CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001193560338 1368062279 /nfs/dbraw/zinc/06/22/79/1368062279.db2.gz QPBSRRAZHYUSAO-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001193570758 1368064684 /nfs/dbraw/zinc/06/46/84/1368064684.db2.gz MQGSPFATSXLIPZ-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571957 1368065580 /nfs/dbraw/zinc/06/55/80/1368065580.db2.gz YWNGYKDMMPICKT-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001193643343 1368083257 /nfs/dbraw/zinc/08/32/57/1368083257.db2.gz SQRMLHUMHBSZBY-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001110981010 1368132885 /nfs/dbraw/zinc/13/28/85/1368132885.db2.gz FUTZLPVLTQZEAJ-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001111169320 1368179698 /nfs/dbraw/zinc/17/96/98/1368179698.db2.gz NVDHAUTVESVSFJ-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227946 1368212542 /nfs/dbraw/zinc/21/25/42/1368212542.db2.gz OPNSYWUMQSNOEH-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227620 1368213181 /nfs/dbraw/zinc/21/31/81/1368213181.db2.gz LHUHCUDYUWWYPS-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246699 1368217037 /nfs/dbraw/zinc/21/70/37/1368217037.db2.gz QHPZCHSJDHQMQH-GOSISDBHSA-N 2 0 331.504 3.085 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194265205 1368219254 /nfs/dbraw/zinc/21/92/54/1368219254.db2.gz BXQWWMNDZHKFMV-JNVNVXKGSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001194274386 1368221684 /nfs/dbraw/zinc/22/16/84/1368221684.db2.gz HHPCYBIDYMAZHO-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCC[NH3+] ZINC001325317647 1387933191 /nfs/dbraw/zinc/93/31/91/1387933191.db2.gz BGEKBDSNTCBUAR-UHFFFAOYSA-N 2 0 341.286 3.375 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782640 1368460496 /nfs/dbraw/zinc/46/04/96/1368460496.db2.gz RNGZKWGRTWIKDL-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc(-c2ccc(C)cc2C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001195699471 1368475235 /nfs/dbraw/zinc/47/52/35/1368475235.db2.gz ZIXQZLFPCALCLF-UHFFFAOYSA-N 2 0 338.455 3.045 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)C1 ZINC001111871086 1368518371 /nfs/dbraw/zinc/51/83/71/1368518371.db2.gz YZOVKUWEYNGONM-WFXMLNOXSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001111926743 1368563815 /nfs/dbraw/zinc/56/38/15/1368563815.db2.gz GSGWAXADDGKBBV-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196276219 1368582419 /nfs/dbraw/zinc/58/24/19/1368582419.db2.gz VMFYLSANVIJDHP-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986935 1368592099 /nfs/dbraw/zinc/59/20/99/1368592099.db2.gz HUBKZGZSWYNYIP-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCN([C@H](C)c2ccccc2F)CC1 ZINC001196341115 1368592835 /nfs/dbraw/zinc/59/28/35/1368592835.db2.gz NBZMIPUECYKJEN-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](CC1CCC1)C2 ZINC001112020522 1368623062 /nfs/dbraw/zinc/62/30/62/1368623062.db2.gz LWACXCTUQIZVKT-FPOVZHCZSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)=CC[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196642009 1368654290 /nfs/dbraw/zinc/65/42/90/1368654290.db2.gz XDIKKUOHGDLQOD-UHFFFAOYSA-N 2 0 335.536 3.142 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[N@H+](CCC(C)(C)C)CC2)CCCC1 ZINC001196656698 1368657254 /nfs/dbraw/zinc/65/72/54/1368657254.db2.gz SVYNTNFOCMSRRY-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@@H+]2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001196943816 1368717759 /nfs/dbraw/zinc/71/77/59/1368717759.db2.gz SVQDQQNLUYGOLP-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CN(C[C@H](O)C[NH+]1CCC(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC001197031165 1368734184 /nfs/dbraw/zinc/73/41/84/1368734184.db2.gz IJGPKRFDNAABCE-IBGZPJMESA-N 2 0 336.907 3.050 20 0 EGADRP CC/C=C\CC[NH+]1CCCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001197477941 1368822794 /nfs/dbraw/zinc/82/27/94/1368822794.db2.gz QBQHWHPIYFTLRN-CLFYSBASSA-N 2 0 337.552 3.389 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1)[NH+](C)C ZINC001112425477 1368841783 /nfs/dbraw/zinc/84/17/83/1368841783.db2.gz NYHXSOYLVSONST-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447486 1368859247 /nfs/dbraw/zinc/85/92/47/1368859247.db2.gz ZTZLNNZLXNDPEK-ICSRJNTNSA-N 2 0 347.547 3.023 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC001197794567 1368897789 /nfs/dbraw/zinc/89/77/89/1368897789.db2.gz LUHLNPDJSOITSK-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001197922387 1368924127 /nfs/dbraw/zinc/92/41/27/1368924127.db2.gz RDSDNZTYCPNORS-UHFFFAOYSA-N 2 0 345.531 3.186 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001112580190 1368936141 /nfs/dbraw/zinc/93/61/41/1368936141.db2.gz BNASRHWNHGXDME-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001198243694 1368988110 /nfs/dbraw/zinc/98/81/10/1368988110.db2.gz MNVBVLSLIUNMDZ-UHFFFAOYSA-N 2 0 347.547 3.287 20 0 EGADRP CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001198277625 1368995811 /nfs/dbraw/zinc/99/58/11/1368995811.db2.gz FAXMRABWVBAVDE-IBGZPJMESA-N 2 0 330.472 3.058 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC001325466930 1387983485 /nfs/dbraw/zinc/98/34/85/1387983485.db2.gz DDXGMTBYJMGKCR-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP CC[C@H](C)C(=O)Nc1cccc(CNCc2c[nH+]ccc2N(C)C)c1 ZINC001199571313 1369237926 /nfs/dbraw/zinc/23/79/26/1369237926.db2.gz MVLCVYKMWXRYOC-HNNXBMFYSA-N 2 0 340.471 3.422 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001113248364 1369290577 /nfs/dbraw/zinc/29/05/77/1369290577.db2.gz XMPMIGMSMDOEPB-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113439797 1369429578 /nfs/dbraw/zinc/42/95/78/1369429578.db2.gz VIPKETNMKQPLSG-HSALFYBXSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC001200838555 1369437185 /nfs/dbraw/zinc/43/71/85/1369437185.db2.gz UHOBWOCJWWEEHU-STZQEDGTSA-N 2 0 341.543 3.361 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC001113487270 1369462390 /nfs/dbraw/zinc/46/23/90/1369462390.db2.gz QJFMOWPCONABEQ-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001113571537 1369496828 /nfs/dbraw/zinc/49/68/28/1369496828.db2.gz TVQDHQHNUGNRJS-IBGZPJMESA-N 2 0 345.531 3.241 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001201230951 1369500662 /nfs/dbraw/zinc/50/06/62/1369500662.db2.gz YOCGFJQDKZQBQN-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400623 1369537207 /nfs/dbraw/zinc/53/72/07/1369537207.db2.gz TYUCRXPWGZXZPM-HCZHMGAMSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682437 1369563478 /nfs/dbraw/zinc/56/34/78/1369563478.db2.gz BGIUQUYXLMMHTE-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(Cl)ncc3Cl)cc[nH+]2)CC1 ZINC001201655497 1369597812 /nfs/dbraw/zinc/59/78/12/1369597812.db2.gz PTSJCGCPSUXIGC-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP Cc1cc(Cl)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1O ZINC001201667137 1369601421 /nfs/dbraw/zinc/60/14/21/1369601421.db2.gz BPDOHGAIDXHJQK-UHFFFAOYSA-N 2 0 332.835 3.244 20 0 EGADRP Cc1ccc2cccnc2c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201666208 1369601840 /nfs/dbraw/zinc/60/18/40/1369601840.db2.gz NMEKOPWGRVMFSZ-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001201731437 1369612035 /nfs/dbraw/zinc/61/20/35/1369612035.db2.gz QUJDHAUTCGCABQ-VAMGGRTRSA-N 2 0 338.536 3.157 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001202473612 1369782968 /nfs/dbraw/zinc/78/29/68/1369782968.db2.gz LRTPISCRBBWGHY-KRWDZBQOSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CC2CCCCC2)CC1)[NH+](CC)CC ZINC001202473153 1369783215 /nfs/dbraw/zinc/78/32/15/1369783215.db2.gz GLCPYWAJVXJQFM-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202611012 1369823840 /nfs/dbraw/zinc/82/38/40/1369823840.db2.gz IHJFHPVRFVGOCC-LEWJYISDSA-N 2 0 328.500 3.257 20 0 EGADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001186929953 1388029956 /nfs/dbraw/zinc/02/99/56/1388029956.db2.gz BVZYHWQJYFILPX-HXUWFJFHSA-N 2 0 343.515 3.227 20 0 EGADRP C[NH+](C)CCC(C)(C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186940745 1388031171 /nfs/dbraw/zinc/03/11/71/1388031171.db2.gz VEDMQVZIENGUIG-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001187035064 1388043167 /nfs/dbraw/zinc/04/31/67/1388043167.db2.gz SYZMFNKPWNMJPV-MOPGFXCFSA-N 2 0 345.531 3.306 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C23CCC3)CCC1 ZINC001203027530 1369959219 /nfs/dbraw/zinc/95/92/19/1369959219.db2.gz GGJVQGYSADMLFY-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203102633 1369984029 /nfs/dbraw/zinc/98/40/29/1369984029.db2.gz ICUZTQJGWGHZRL-SJORKVTESA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203166838 1370007247 /nfs/dbraw/zinc/00/72/47/1370007247.db2.gz AQJBYVQDAURNEM-QZTJIDSGSA-N 2 0 340.471 3.011 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)C1CCCCC1 ZINC001203230330 1370032686 /nfs/dbraw/zinc/03/26/86/1370032686.db2.gz LKCPNNNITIWXIZ-RTBURBONSA-N 2 0 347.547 3.068 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)C1CCCCC1 ZINC001203230326 1370032804 /nfs/dbraw/zinc/03/28/04/1370032804.db2.gz LKCPNNNITIWXIZ-OALUTQOASA-N 2 0 347.547 3.068 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230547 1370032973 /nfs/dbraw/zinc/03/29/73/1370032973.db2.gz NUEMSKAAJMBNOG-OALUTQOASA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001203288173 1370063207 /nfs/dbraw/zinc/06/32/07/1370063207.db2.gz NYIOTTREBKUSBJ-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]C1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001203312341 1370077652 /nfs/dbraw/zinc/07/76/52/1370077652.db2.gz DZRHJJYEMDFIKR-UHFFFAOYSA-N 2 0 325.541 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203324355 1370082848 /nfs/dbraw/zinc/08/28/48/1370082848.db2.gz HGPAUOOGGFKGKV-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420931 1370118574 /nfs/dbraw/zinc/11/85/74/1370118574.db2.gz XZOLUBJKAUDUKH-PJHKVULZSA-N 2 0 347.547 3.092 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2CC)CC1 ZINC001203431367 1370123309 /nfs/dbraw/zinc/12/33/09/1370123309.db2.gz DDKORVDTEHRDGN-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001203442197 1370128026 /nfs/dbraw/zinc/12/80/26/1370128026.db2.gz GGHWNSHQBITQFW-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461953 1370134951 /nfs/dbraw/zinc/13/49/51/1370134951.db2.gz JITUXFNMYXWEAZ-OALUTQOASA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001114920828 1370149396 /nfs/dbraw/zinc/14/93/96/1370149396.db2.gz BKOINKFZDNGZGT-INDMIFKZSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C12CCC2 ZINC001203604683 1370184817 /nfs/dbraw/zinc/18/48/17/1370184817.db2.gz HIVVFGVYKMCGNE-MSOLQXFVSA-N 2 0 337.552 3.314 20 0 EGADRP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001114984235 1370191164 /nfs/dbraw/zinc/19/11/64/1370191164.db2.gz AVLUCOVTKQEDEL-HOZVOTKXSA-N 2 0 349.563 3.291 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203772208 1370258727 /nfs/dbraw/zinc/25/87/27/1370258727.db2.gz QKVVDWVJPWVORT-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203783969 1370262271 /nfs/dbraw/zinc/26/22/71/1370262271.db2.gz YSPWBEBJTXSUJJ-QZTJIDSGSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204061576 1370363971 /nfs/dbraw/zinc/36/39/71/1370363971.db2.gz FYEKRNIRVRYURD-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ncccc1C[N@@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271111 1370427832 /nfs/dbraw/zinc/42/78/32/1370427832.db2.gz DYLGAAMEMVWDKQ-UHFFFAOYSA-N 2 0 327.472 3.353 20 0 EGADRP Cc1c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cnn1C ZINC001204577055 1370520520 /nfs/dbraw/zinc/52/05/20/1370520520.db2.gz PHUHAQOGNNDZCF-PMACEKPBSA-N 2 0 338.499 3.073 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543735 1370540282 /nfs/dbraw/zinc/54/02/82/1370540282.db2.gz YDCPZAXTARAYED-LXORQPIJSA-N 2 0 349.563 3.482 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)CC[N@@H+]1C ZINC001115543644 1370540372 /nfs/dbraw/zinc/54/03/72/1370540372.db2.gz UCMZOOCNFTXPPA-IEBWSBKVSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727690 1370556244 /nfs/dbraw/zinc/55/62/44/1370556244.db2.gz KHYMCHLDQYNCAO-MRXNPFEDSA-N 2 0 330.472 3.060 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727852 1370556715 /nfs/dbraw/zinc/55/67/15/1370556715.db2.gz SCCUTUMOYSGQCZ-NRFANRHFSA-N 3 0 341.543 3.364 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573118 1370576110 /nfs/dbraw/zinc/57/61/10/1370576110.db2.gz JDDHRTLCMMZPEP-DUMMIQTOSA-N 2 0 335.536 3.092 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115591851 1370593104 /nfs/dbraw/zinc/59/31/04/1370593104.db2.gz IEUYSQLSFBTSIP-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001204896911 1370599830 /nfs/dbraw/zinc/59/98/30/1370599830.db2.gz RTMKPTHAHJSIOV-UHFFFAOYSA-N 2 0 329.875 3.429 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115608453 1370606901 /nfs/dbraw/zinc/60/69/01/1370606901.db2.gz NTMLAERGDHGRAR-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1c(C(=O)NCC2([NH2+]CCCF)CCCCC2)ccc2c[nH+]cn21 ZINC001115609867 1370609299 /nfs/dbraw/zinc/60/92/99/1370609299.db2.gz LEYJTRBIKMQNCF-UHFFFAOYSA-N 2 0 346.450 3.025 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001205208759 1370681373 /nfs/dbraw/zinc/68/13/73/1370681373.db2.gz FVXYGIGSSYELDH-SFHVURJKSA-N 2 0 334.847 3.276 20 0 EGADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205221176 1370686052 /nfs/dbraw/zinc/68/60/52/1370686052.db2.gz QMNSBRJPPPIUQT-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]C/C=C/c2ccccc2)CCCCC1 ZINC001115708087 1370687737 /nfs/dbraw/zinc/68/77/37/1370687737.db2.gz MRMNWTLJRBYKDA-FMIVXFBMSA-N 2 0 343.515 3.060 20 0 EGADRP COc1ccc(Br)cc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205257482 1370697780 /nfs/dbraw/zinc/69/77/80/1370697780.db2.gz VTVGYSPHMDOYKF-OAHLLOKOSA-N 2 0 327.266 3.161 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729425 1370711497 /nfs/dbraw/zinc/71/14/97/1370711497.db2.gz FMLXBRQMSLZNGO-ZMBJWTFHSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115729945 1370711749 /nfs/dbraw/zinc/71/17/49/1370711749.db2.gz YTOVHGOZNITVEF-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H]1C[NH3+] ZINC001205306697 1370715644 /nfs/dbraw/zinc/71/56/44/1370715644.db2.gz YXLASFURLBIRMU-AEFFLSMTSA-N 2 0 334.467 3.442 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420071 1370749495 /nfs/dbraw/zinc/74/94/95/1370749495.db2.gz CHSVIPZISUVXIS-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001115769142 1370753410 /nfs/dbraw/zinc/75/34/10/1370753410.db2.gz XRWKTIUSJIVIJW-MOPGFXCFSA-N 2 0 347.547 3.212 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768921 1370753564 /nfs/dbraw/zinc/75/35/64/1370753564.db2.gz NHLPATATVYXDBN-OALUTQOASA-N 2 0 349.563 3.458 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cccc(F)c2Br)CC1 ZINC001205558228 1370791574 /nfs/dbraw/zinc/79/15/74/1370791574.db2.gz CXIGJEHLFQNVNX-AWEZNQCLSA-N 2 0 333.220 3.241 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205570005 1370794351 /nfs/dbraw/zinc/79/43/51/1370794351.db2.gz CIIMEKJORUOBGS-CQSZACIVSA-N 2 0 338.320 3.377 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1C(F)(F)F ZINC001205570092 1370795656 /nfs/dbraw/zinc/79/56/56/1370795656.db2.gz FQWQWEIQKRPBHJ-HNNXBMFYSA-N 2 0 334.357 3.367 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205578427 1370798009 /nfs/dbraw/zinc/79/80/09/1370798009.db2.gz BOLYQZNYRCENJM-QGZVFWFLSA-N 2 0 342.842 3.170 20 0 EGADRP CC(C)C[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001205585233 1370800916 /nfs/dbraw/zinc/80/09/16/1370800916.db2.gz BJIKVTMXNPXXJL-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205592584 1370803367 /nfs/dbraw/zinc/80/33/67/1370803367.db2.gz WQNXAUFJSOJOLZ-FQEVSTJZSA-N 2 0 343.446 3.410 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594299 1370804831 /nfs/dbraw/zinc/80/48/31/1370804831.db2.gz OYZBOORVECHJFT-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccn2)CC[C@H]1C[NH3+] ZINC001205637815 1370822267 /nfs/dbraw/zinc/82/22/67/1370822267.db2.gz IZINTUFJFUSUJX-HKUYNNGSSA-N 2 0 339.483 3.467 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c[nH]c2c1 ZINC001205652671 1370829338 /nfs/dbraw/zinc/82/93/38/1370829338.db2.gz QNBKIGQQUUMRDN-ZBFHGGJFSA-N 2 0 343.471 3.151 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccnc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC001205665661 1370834793 /nfs/dbraw/zinc/83/47/93/1370834793.db2.gz SZFIHANXMZRZCC-YLJYHZDGSA-N 2 0 339.483 3.467 20 0 EGADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673890 1370838147 /nfs/dbraw/zinc/83/81/47/1370838147.db2.gz VHGYFDMNZKPLAD-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001205682767 1370841832 /nfs/dbraw/zinc/84/18/32/1370841832.db2.gz UQIDARAHXFXQBC-HXUWFJFHSA-N 2 0 344.430 3.294 20 0 EGADRP CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205781712 1370868168 /nfs/dbraw/zinc/86/81/68/1370868168.db2.gz XWKIIWLQIPKPTA-OAHLLOKOSA-N 2 0 340.414 3.058 20 0 EGADRP Cc1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001205786562 1370870534 /nfs/dbraw/zinc/87/05/34/1370870534.db2.gz LWJJPYKMUVBTTN-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC001116289413 1370879608 /nfs/dbraw/zinc/87/96/08/1370879608.db2.gz VQXKOFKHIBCXAZ-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205991674 1370932218 /nfs/dbraw/zinc/93/22/18/1370932218.db2.gz BIJULQNBNRCISF-UZLBHIALSA-N 2 0 340.515 3.355 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC001206003245 1370934818 /nfs/dbraw/zinc/93/48/18/1370934818.db2.gz GDPLHYZLZPIESF-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CCC[C@@H]1C[NH3+] ZINC001206011364 1370938594 /nfs/dbraw/zinc/93/85/94/1370938594.db2.gz BXIOYJWQOZTMJI-FXAWDEMLSA-N 2 0 339.483 3.467 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206056993 1370950070 /nfs/dbraw/zinc/95/00/70/1370950070.db2.gz KGXICJORMWBNCP-UHFFFAOYSA-N 2 0 349.519 3.219 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001206074514 1370954782 /nfs/dbraw/zinc/95/47/82/1370954782.db2.gz QOACFKYOZZIQOP-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206079596 1370956168 /nfs/dbraw/zinc/95/61/68/1370956168.db2.gz MOPSDMZFGIYGJE-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001206258065 1371006755 /nfs/dbraw/zinc/00/67/55/1371006755.db2.gz PUTOSMHUBNYVRR-UHFFFAOYSA-N 2 0 338.451 3.245 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CC1 ZINC001206317498 1371019912 /nfs/dbraw/zinc/01/99/12/1371019912.db2.gz GHAOEVKVYFFXBE-AWEZNQCLSA-N 2 0 346.422 3.366 20 0 EGADRP COc1ccc(C[NH+]2CCCCC2)cc1-c1cnn(CC[NH+](C)C)c1 ZINC001206372859 1371036209 /nfs/dbraw/zinc/03/62/09/1371036209.db2.gz DJZQPAKKMNDQER-UHFFFAOYSA-N 2 0 342.487 3.106 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccn1C1CC1 ZINC001117744791 1371073294 /nfs/dbraw/zinc/07/32/94/1371073294.db2.gz XDJAGFNHUZNJRJ-NRFANRHFSA-N 2 0 339.483 3.070 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCCC[C@@](C)(C[NH3+])C3)c[nH]c2c1 ZINC001206583693 1371100136 /nfs/dbraw/zinc/10/01/36/1371100136.db2.gz VFTVSDGUANEZJW-FQEVSTJZSA-N 2 0 343.471 3.296 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587650 1371100955 /nfs/dbraw/zinc/10/09/55/1371100955.db2.gz MLESRWROEMWUST-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[N@H+](Cc1cc(-c2ccccc2)nn1C)[C@H]1CCC[NH2+]CC1 ZINC001206589397 1371102077 /nfs/dbraw/zinc/10/20/77/1371102077.db2.gz GRKIAJBARVJEKM-SFHVURJKSA-N 2 0 326.488 3.440 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1C ZINC001206589487 1371102385 /nfs/dbraw/zinc/10/23/85/1371102385.db2.gz HMMQCLXBJBHQSC-MRXNPFEDSA-N 2 0 335.492 3.161 20 0 EGADRP CC(C)[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCC[NH2+]CC1 ZINC001206598429 1371104910 /nfs/dbraw/zinc/10/49/10/1371104910.db2.gz JLPBYZGDHHGNMM-IBGZPJMESA-N 3 0 340.515 3.097 20 0 EGADRP CCOc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ccc1OC(=O)C(C)C ZINC001206631839 1371114860 /nfs/dbraw/zinc/11/48/60/1371114860.db2.gz AUZCDPSIOZLSKU-QGZVFWFLSA-N 2 0 348.487 3.208 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206679306 1371130184 /nfs/dbraw/zinc/13/01/84/1371130184.db2.gz CSAOVIROLFDOMR-AATRIKPKSA-N 2 0 349.563 3.293 20 0 EGADRP COc1cccc(OC)c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749250 1371153000 /nfs/dbraw/zinc/15/30/00/1371153000.db2.gz ATEZWHJDSWEMQH-UHFFFAOYSA-N 2 0 340.467 3.196 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1OC(F)(F)F ZINC001206810816 1371176588 /nfs/dbraw/zinc/17/65/88/1371176588.db2.gz PSTWDNDPGAHGIK-YPMHNXCESA-N 2 0 332.366 3.153 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206812534 1371177425 /nfs/dbraw/zinc/17/74/25/1371177425.db2.gz ZGUGVVAEFWOXAW-HUUCEWRRSA-N 2 0 329.488 3.472 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206935759 1371232173 /nfs/dbraw/zinc/23/21/73/1371232173.db2.gz UOJVXXPYTRIFMM-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206948129 1371241031 /nfs/dbraw/zinc/24/10/31/1371241031.db2.gz WGOXAQIELYSMMN-HDICACEKSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206950443 1371241701 /nfs/dbraw/zinc/24/17/01/1371241701.db2.gz RFVJPXIJLLLSQD-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951594 1371242627 /nfs/dbraw/zinc/24/26/27/1371242627.db2.gz ZOUBSVCRTAGEQJ-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952465 1371243970 /nfs/dbraw/zinc/24/39/70/1371243970.db2.gz PSZYHGMJSYRKKC-YJJPMGAVSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206954923 1371244801 /nfs/dbraw/zinc/24/48/01/1371244801.db2.gz DHTDOXQSPCRHGO-NCPJDUFYSA-N 2 0 335.536 3.042 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974632 1371254738 /nfs/dbraw/zinc/25/47/38/1371254738.db2.gz KSXWNUWFHLOZOA-XXCOWLKOSA-N 2 0 335.536 3.044 20 0 EGADRP O=c1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cc[nH]1 ZINC001207119911 1371299966 /nfs/dbraw/zinc/29/99/66/1371299966.db2.gz IRJWANOUOFIVKS-UHFFFAOYSA-N 2 0 343.496 3.337 20 0 EGADRP c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1C[NH+]1CCCCC1 ZINC001119451024 1371347084 /nfs/dbraw/zinc/34/70/84/1371347084.db2.gz SWVKESYAYJZQBD-NRFANRHFSA-N 2 0 343.515 3.338 20 0 EGADRP C[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001207276543 1371347355 /nfs/dbraw/zinc/34/73/55/1371347355.db2.gz ZBOKWEVVWUJQOC-HOTGVXAUSA-N 2 0 341.540 3.057 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283599 1371350364 /nfs/dbraw/zinc/35/03/64/1371350364.db2.gz AUVKKVPGPFVXJV-SFTDATJTSA-N 3 0 343.559 3.418 20 0 EGADRP COC(=O)c1ccc(CC2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)cc1 ZINC001207284131 1371350445 /nfs/dbraw/zinc/35/04/45/1371350445.db2.gz JSSCMBODCVJXFM-UHFFFAOYSA-N 2 0 346.515 3.316 20 0 EGADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCCc1ccc(Br)cc1)C2 ZINC001207322962 1371361220 /nfs/dbraw/zinc/36/12/20/1371361220.db2.gz JTEKTMQREVHHNR-NVXWUHKLSA-N 2 0 337.305 3.265 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CC1 ZINC001207396486 1371384480 /nfs/dbraw/zinc/38/44/80/1371384480.db2.gz JKGJGRKXYNQMAP-RTWAWAEBSA-N 2 0 343.515 3.042 20 0 EGADRP c1ccc2c(c1)[C@@H]1C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]1[C@@H]2OCC1CC1 ZINC001207437350 1371395022 /nfs/dbraw/zinc/39/50/22/1371395022.db2.gz UZVSUGGTNUDYGL-PCCBWWKXSA-N 2 0 326.484 3.183 20 0 EGADRP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207487615 1371411111 /nfs/dbraw/zinc/41/11/11/1371411111.db2.gz OBKKFKJRXAUCGS-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001207520997 1371424550 /nfs/dbraw/zinc/42/45/50/1371424550.db2.gz KPKWSOZIHFLVCS-RTWAWAEBSA-N 2 0 329.532 3.063 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545281 1371431472 /nfs/dbraw/zinc/43/14/72/1371431472.db2.gz NHHSTNLPIPJXOP-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP COc1cccc(CCC[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001207573374 1371438951 /nfs/dbraw/zinc/43/89/51/1371438951.db2.gz TZUIBMQDBYNYJU-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP Cn1cc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]4C3)s2)cn1 ZINC001119989950 1371444247 /nfs/dbraw/zinc/44/42/47/1371444247.db2.gz UCVZAXSVTPROAN-HLLBOEOZSA-N 2 0 344.528 3.311 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)c(OC2CCCC2)c1 ZINC001120032650 1371463182 /nfs/dbraw/zinc/46/31/82/1371463182.db2.gz ZFIJPMPSPHRTSV-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(C)c2)CCCCC1 ZINC001120045712 1371467622 /nfs/dbraw/zinc/46/76/22/1371467622.db2.gz GYCYYQOONNVQKW-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC001207724542 1371486153 /nfs/dbraw/zinc/48/61/53/1371486153.db2.gz ZVHCDZWDVQSOFK-IIDMSEBBSA-N 2 0 332.488 3.127 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCC3=CCCCC3)CCCCC2)C1 ZINC001120129454 1371491694 /nfs/dbraw/zinc/49/16/94/1371491694.db2.gz ICMIWZAPPKDWBC-LJQANCHMSA-N 2 0 347.547 3.237 20 0 EGADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CCCCCC2)CCCCC1 ZINC001120140348 1371494455 /nfs/dbraw/zinc/49/44/55/1371494455.db2.gz DCFSXQREQVYPQG-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001120188652 1371502344 /nfs/dbraw/zinc/50/23/44/1371502344.db2.gz AFJLEJXLEYENQG-KHLFDWQFSA-N 2 0 341.927 3.020 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422004 1371569529 /nfs/dbraw/zinc/56/95/29/1371569529.db2.gz HSWRJEUTCFMWTJ-BGEOSOQGSA-N 2 0 349.563 3.388 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120439992 1371578176 /nfs/dbraw/zinc/57/81/76/1371578176.db2.gz KOVWQJFXVLXCMU-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC001120440834 1371578385 /nfs/dbraw/zinc/57/83/85/1371578385.db2.gz UDCYATMOQXWSMB-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001208095047 1371595223 /nfs/dbraw/zinc/59/52/23/1371595223.db2.gz VEBLXRPZLOGRDQ-GOSISDBHSA-N 2 0 336.520 3.306 20 0 EGADRP CC[N@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208110323 1371597560 /nfs/dbraw/zinc/59/75/60/1371597560.db2.gz YKDDQIRAVWBPCD-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP CC1CC(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001208128934 1371604007 /nfs/dbraw/zinc/60/40/07/1371604007.db2.gz LYPRKNTXIPAFJY-CBJHCWRLSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208261737 1371688632 /nfs/dbraw/zinc/68/86/32/1371688632.db2.gz RERZUVOCEJTLGH-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208261914 1371689370 /nfs/dbraw/zinc/68/93/70/1371689370.db2.gz UYQUBMDTERROCZ-OSJSJHBBSA-N 2 0 349.544 3.360 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281292 1371697719 /nfs/dbraw/zinc/69/77/19/1371697719.db2.gz BAFDJYYLCXXDAT-HNGSOEQISA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330954 1371720310 /nfs/dbraw/zinc/72/03/10/1371720310.db2.gz IDZKILKMQOKXPJ-QQGAAHRYSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411534 1371758811 /nfs/dbraw/zinc/75/88/11/1371758811.db2.gz WHWNDUBIAOEKAF-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447476 1371769957 /nfs/dbraw/zinc/76/99/57/1371769957.db2.gz HAFLQRRXJVSVGO-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463832 1371777637 /nfs/dbraw/zinc/77/76/37/1371777637.db2.gz UHKPPONABMNDSG-GOSISDBHSA-N 2 0 346.519 3.069 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474666 1371781051 /nfs/dbraw/zinc/78/10/51/1371781051.db2.gz OAKCPYDHERRFFV-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498466 1371788656 /nfs/dbraw/zinc/78/86/56/1371788656.db2.gz QRTPHXHXKBTXOP-WMZOPIPTSA-N 2 0 342.487 3.211 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001120888571 1371797046 /nfs/dbraw/zinc/79/70/46/1371797046.db2.gz DZQYNYLEZCHTJO-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563971 1371819370 /nfs/dbraw/zinc/81/93/70/1371819370.db2.gz IKGIFQRQVYQMBT-SHCNBLLESA-N 2 0 340.471 3.275 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001208588678 1371829557 /nfs/dbraw/zinc/82/95/57/1371829557.db2.gz KIPYWYFNKQWSNJ-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208592478 1371831010 /nfs/dbraw/zinc/83/10/10/1371831010.db2.gz JAXIELNCVFMDLR-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP C[N@H+](C1CC1)[C@@H]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590816 1371831596 /nfs/dbraw/zinc/83/15/96/1371831596.db2.gz GKNCLOQYTHOJGD-NHCUHLMSSA-N 2 0 327.516 3.210 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CCCCN3Cc3ccccc3)C2)CC1 ZINC001208592945 1371832761 /nfs/dbraw/zinc/83/27/61/1371832761.db2.gz ZNEKZXFFJOJGAC-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001208600069 1371836281 /nfs/dbraw/zinc/83/62/81/1371836281.db2.gz OYGBDWWKPAHHCQ-CTNGQTDRSA-N 2 0 343.515 3.294 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001208602358 1371836557 /nfs/dbraw/zinc/83/65/57/1371836557.db2.gz CXILMYMHPNDXOS-LJQANCHMSA-N 2 0 330.472 3.342 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602343 1371836710 /nfs/dbraw/zinc/83/67/10/1371836710.db2.gz CJUWNWYEHCQHDV-FGZHOGPDSA-N 3 0 341.543 3.172 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208605896 1371838599 /nfs/dbraw/zinc/83/85/99/1371838599.db2.gz WTWFZAOHPGGNHS-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP COc1ccccc1OCC1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208612114 1371840687 /nfs/dbraw/zinc/84/06/87/1371840687.db2.gz BCZUJZIXPDQWLJ-GOSISDBHSA-N 2 0 332.488 3.128 20 0 EGADRP C[N@H+](Cc1ccccc1F)C1CCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208615785 1371840770 /nfs/dbraw/zinc/84/07/70/1371840770.db2.gz HVBJIWOWNDLEAV-QGZVFWFLSA-N 2 0 333.495 3.064 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208741333 1371881316 /nfs/dbraw/zinc/88/13/16/1371881316.db2.gz WUVZVMJGRDFCCI-UHFFFAOYSA-N 2 0 337.939 3.232 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]CC3CCCC3)C2)CCCCC1 ZINC001208748529 1371882416 /nfs/dbraw/zinc/88/24/16/1371882416.db2.gz KMEHFOUMQNAZGR-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208749316 1371883597 /nfs/dbraw/zinc/88/35/97/1371883597.db2.gz QDSHNGOFBQXERR-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121193687 1371885667 /nfs/dbraw/zinc/88/56/67/1371885667.db2.gz HDWYPPBVXWHPIW-QAELIBMJSA-N 2 0 335.536 3.068 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121244975 1371906393 /nfs/dbraw/zinc/90/63/93/1371906393.db2.gz AAFYPJKZQLKBIA-AATRIKPKSA-N 2 0 347.547 3.234 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121260863 1371912446 /nfs/dbraw/zinc/91/24/46/1371912446.db2.gz KNHHRXQQUYTAMD-LJMMTIKXSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208934757 1371951668 /nfs/dbraw/zinc/95/16/68/1371951668.db2.gz IRNPJXGUTIKZND-OAQYLSRUSA-N 2 0 329.532 3.172 20 0 EGADRP CCN(CC[NH+]1CCCC1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937235 1371953738 /nfs/dbraw/zinc/95/37/38/1371953738.db2.gz RZMHNQMWPLFOIF-NRFANRHFSA-N 2 0 329.532 3.316 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001208940777 1371955872 /nfs/dbraw/zinc/95/58/72/1371955872.db2.gz GOOAHXBBXFSJPZ-QHCPKHFHSA-N 2 0 349.522 3.326 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CCC([NH+]4CCC4)CC3)C2)cc1 ZINC001208945813 1371959591 /nfs/dbraw/zinc/95/95/91/1371959591.db2.gz DSOQRGVYZWLARO-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP CC(C)[N@@H+]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC001208949003 1371960883 /nfs/dbraw/zinc/96/08/83/1371960883.db2.gz VEZMJUONIPBGKQ-FPOVZHCZSA-N 2 0 329.532 3.313 20 0 EGADRP CCN(CC[NH+]1CCCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951280 1371961245 /nfs/dbraw/zinc/96/12/45/1371961245.db2.gz BGSWCTKLRNVCBW-OAQYLSRUSA-N 2 0 329.532 3.316 20 0 EGADRP CCOC(=O)[C@@]1(C)CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954661 1371962330 /nfs/dbraw/zinc/96/23/30/1371962330.db2.gz WYWWUKBQWNBNOF-FPOVZHCZSA-N 2 0 344.499 3.174 20 0 EGADRP C[N@@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208963634 1371964075 /nfs/dbraw/zinc/96/40/75/1371964075.db2.gz PIQLPOSJJIPBIN-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP C[NH+]1CCC(COc2ccc(NC3=CC[N@H+](C)CC3)cc2F)CC1 ZINC001208978241 1371966920 /nfs/dbraw/zinc/96/69/20/1371966920.db2.gz AQWADEZRXDKMAM-UHFFFAOYSA-N 2 0 333.451 3.178 20 0 EGADRP C[NH+](C)C1(CC(=O)NC2CC3(C2)CC([NH2+]CCC2CC2)C3)CCCC1 ZINC001121474584 1371985539 /nfs/dbraw/zinc/98/55/39/1371985539.db2.gz AJTVSIQGVHXXPE-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCC(C)C)C3)C1 ZINC001121616979 1372026706 /nfs/dbraw/zinc/02/67/06/1372026706.db2.gz QZEWGLCWQRLKNH-GGQJKKPXSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121773355 1372077292 /nfs/dbraw/zinc/07/72/92/1372077292.db2.gz PYONBLQULTWVPI-UMMPQCNMSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCN(CCC[NH+]2CCCCC2)C1 ZINC001209448435 1372108536 /nfs/dbraw/zinc/10/85/36/1372108536.db2.gz RTWOIOLRGCLXDN-QGZVFWFLSA-N 2 0 339.524 3.242 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001121895612 1372117015 /nfs/dbraw/zinc/11/70/15/1372117015.db2.gz GDYDTUQSJQSUMW-GRFHQPFKSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121897353 1372117769 /nfs/dbraw/zinc/11/77/69/1372117769.db2.gz ZKSBHKTYIGZHRF-YADNIXQGSA-N 2 0 346.519 3.042 20 0 EGADRP Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001209494770 1372121001 /nfs/dbraw/zinc/12/10/01/1372121001.db2.gz KAEDWEZCBDASER-KDURUIRLSA-N 2 0 346.478 3.435 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)CC1)C2 ZINC001121936073 1372126986 /nfs/dbraw/zinc/12/69/86/1372126986.db2.gz YUYWWFXWZAJJPL-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC(C)C)C2 ZINC001121935086 1372127102 /nfs/dbraw/zinc/12/71/02/1372127102.db2.gz GVYZAIUXBAXWBB-FUSSNKQKSA-N 2 0 337.552 3.027 20 0 EGADRP c1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001209554115 1372136347 /nfs/dbraw/zinc/13/63/47/1372136347.db2.gz WOFNUIKECSHMGX-QZTJIDSGSA-N 2 0 327.497 3.487 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001209642325 1372159923 /nfs/dbraw/zinc/15/99/23/1372159923.db2.gz GEEXYFVYOTWVJR-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242764 1372209886 /nfs/dbraw/zinc/20/98/86/1372209886.db2.gz NZRMEROHESAMJY-ODLLKVOJSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122242967 1372210529 /nfs/dbraw/zinc/21/05/29/1372210529.db2.gz SSFDJDOHRSNUJK-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Fc1ccc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cnc2c1F ZINC001210263316 1372308369 /nfs/dbraw/zinc/30/83/69/1372308369.db2.gz XWPIWVSBYQWFRO-UHFFFAOYSA-N 2 0 341.365 3.061 20 0 EGADRP Cc1cc(Br)cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210269611 1372311543 /nfs/dbraw/zinc/31/15/43/1372311543.db2.gz YLAQFCTXQVUQKF-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210416424 1372347078 /nfs/dbraw/zinc/34/70/78/1372347078.db2.gz OUPHYRHSDDNJRS-JTDSTZFVSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccccc1 ZINC001210492899 1372365701 /nfs/dbraw/zinc/36/57/01/1372365701.db2.gz FPUNUAXHTBUIQH-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210528854 1372372273 /nfs/dbraw/zinc/37/22/73/1372372273.db2.gz JXRKNEGHFVFJOM-QWFCFKBJSA-N 2 0 345.531 3.143 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001210644355 1372398967 /nfs/dbraw/zinc/39/89/67/1372398967.db2.gz OJDQMUNVUQOKAL-PMACEKPBSA-N 2 0 343.515 3.226 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210744412 1372417696 /nfs/dbraw/zinc/41/76/96/1372417696.db2.gz POCROPIKCPQWDY-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001210772817 1372424250 /nfs/dbraw/zinc/42/42/50/1372424250.db2.gz AUGNQKXEMXGPRH-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001210796798 1372428195 /nfs/dbraw/zinc/42/81/95/1372428195.db2.gz KJCNAJZEXGXVJM-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211233320 1372509062 /nfs/dbraw/zinc/50/90/62/1372509062.db2.gz BMEFODCLIKXXNJ-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001211240966 1372509716 /nfs/dbraw/zinc/50/97/16/1372509716.db2.gz PXDIIHIFGYROHQ-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262496 1372515232 /nfs/dbraw/zinc/51/52/32/1372515232.db2.gz RKZOBCMOUYWQQE-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001211268281 1372516603 /nfs/dbraw/zinc/51/66/03/1372516603.db2.gz HRYFWPFQBOYFBN-IBGZPJMESA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001211284523 1372520772 /nfs/dbraw/zinc/52/07/72/1372520772.db2.gz MDKKWYLOIALULV-HXKWKUIBSA-N 2 0 343.515 3.011 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366849 1372541562 /nfs/dbraw/zinc/54/15/62/1372541562.db2.gz LZQQMSXHZLHYKF-AHSYYPKJSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211375881 1372544306 /nfs/dbraw/zinc/54/43/06/1372544306.db2.gz CKDOYOPDRLKCAD-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCOc1ccccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001211381112 1372544870 /nfs/dbraw/zinc/54/48/70/1372544870.db2.gz UMMWRILMYJFQRN-UHFFFAOYSA-N 2 0 326.444 3.366 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C(C)C)C1)[NH+](CC)CC ZINC001211674392 1372600416 /nfs/dbraw/zinc/60/04/16/1372600416.db2.gz CAVDETZXHRFHTL-ZCNNSNEGSA-N 2 0 345.531 3.099 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001326520239 1388227670 /nfs/dbraw/zinc/22/76/70/1388227670.db2.gz ZDKHOTQQOSBXPL-KRWDZBQOSA-N 2 0 348.560 3.263 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001214999879 1373153823 /nfs/dbraw/zinc/15/38/23/1373153823.db2.gz QVMJLGIXFAMADC-ZIFCJYIRSA-N 2 0 345.531 3.223 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215387694 1373204479 /nfs/dbraw/zinc/20/44/79/1373204479.db2.gz SKMDNOILXXRVPD-MISYRCLQSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773844 1373236566 /nfs/dbraw/zinc/23/65/66/1373236566.db2.gz ACPLTXANZAKSRY-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215930205 1373251483 /nfs/dbraw/zinc/25/14/83/1373251483.db2.gz SUTUQRJCZZGLCR-AJWBFMOXSA-N 2 0 343.515 3.155 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1F ZINC001216223944 1373284706 /nfs/dbraw/zinc/28/47/06/1373284706.db2.gz NYPSKHHYSMEKEY-UHFFFAOYSA-N 2 0 343.446 3.163 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001188158878 1388253586 /nfs/dbraw/zinc/25/35/86/1388253586.db2.gz YDUOVCVIERVDAD-YLJYHZDGSA-N 2 0 345.531 3.402 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(F)c3ccoc32)CC1 ZINC001216296177 1373296748 /nfs/dbraw/zinc/29/67/48/1373296748.db2.gz AZZQMRPUAJOHCW-UHFFFAOYSA-N 2 0 326.375 3.462 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216314495 1373298994 /nfs/dbraw/zinc/29/89/94/1373298994.db2.gz NXTNMGPVPTYGLM-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001216349397 1373304495 /nfs/dbraw/zinc/30/44/95/1373304495.db2.gz XJMRMNOAZSACPY-IPMKNSEASA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001128779731 1373310527 /nfs/dbraw/zinc/31/05/27/1373310527.db2.gz XAJSIDWKNGBREM-FXAWDEMLSA-N 2 0 345.531 3.451 20 0 EGADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC001216835686 1373349296 /nfs/dbraw/zinc/34/92/96/1373349296.db2.gz BMOHVMVMPYEEDX-WSTZPKSXSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC001129328717 1373372347 /nfs/dbraw/zinc/37/23/47/1373372347.db2.gz RVIKTBRHGQTFKJ-MOPGFXCFSA-N 2 0 345.531 3.048 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001129421771 1373382299 /nfs/dbraw/zinc/38/22/99/1373382299.db2.gz BSPCHWHXWDKPCC-RTBURBONSA-N 2 0 345.531 3.333 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129423589 1373382349 /nfs/dbraw/zinc/38/23/49/1373382349.db2.gz WBTWBXZJLAXBDF-IBGZPJMESA-N 2 0 345.531 3.279 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@](C)(CO[C@H]2CCC[NH2+]CC2)O1 ZINC001217778433 1373499722 /nfs/dbraw/zinc/49/97/22/1373499722.db2.gz OOOGHNSERRNSIG-PZJWPPBQSA-N 2 0 346.515 3.215 20 0 EGADRP [NH3+]Cc1ccc(CO[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001217907881 1373511570 /nfs/dbraw/zinc/51/15/70/1373511570.db2.gz DZQATPGIJTVWJS-LJQANCHMSA-N 2 0 328.431 3.466 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217940032 1373514908 /nfs/dbraw/zinc/51/49/08/1373514908.db2.gz XPTJSQNCYSSCJE-NQIIRXRSSA-N 2 0 346.515 3.456 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4C[NH2+]CCC[C@@H]4F)cc32)CC1 ZINC001217982719 1373525792 /nfs/dbraw/zinc/52/57/92/1373525792.db2.gz WJDIFQCNINILJF-AZUAARDMSA-N 2 0 345.462 3.446 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC001130614829 1373570707 /nfs/dbraw/zinc/57/07/07/1373570707.db2.gz FSNCAWPNUQMSRP-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130655960 1373576485 /nfs/dbraw/zinc/57/64/85/1373576485.db2.gz BSBRDSTWBCGFNA-OAHLLOKOSA-N 2 0 336.439 3.032 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4C[NH2+]CCC4(F)F)cc32)CC1 ZINC001218447327 1373614509 /nfs/dbraw/zinc/61/45/09/1373614509.db2.gz JCSRBYGGNWDRRQ-GOSISDBHSA-N 2 0 349.425 3.353 20 0 EGADRP Cc1ccc(C[C@H]([NH3+])C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)c(C)c1 ZINC001218971867 1373672987 /nfs/dbraw/zinc/67/29/87/1373672987.db2.gz AJEJZXFDLQATMC-IBGZPJMESA-N 2 0 337.467 3.150 20 0 EGADRP Cc1ccc(C2(CC(=O)Nc3ccc(C[NH3+])cc3)CC[NH2+]CC2)cc1 ZINC001219349658 1373702930 /nfs/dbraw/zinc/70/29/30/1373702930.db2.gz SLOJQXIQWNWUDJ-UHFFFAOYSA-N 2 0 337.467 3.104 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)C[C@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1 ZINC001219347101 1373702956 /nfs/dbraw/zinc/70/29/56/1373702956.db2.gz HGUHIKCDRNZWSL-HNNXBMFYSA-N 2 0 337.345 3.193 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001221375901 1373771953 /nfs/dbraw/zinc/77/19/53/1373771953.db2.gz YTUQGIABUHMMHD-UHFFFAOYSA-N 2 0 345.531 3.256 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848188 1373797945 /nfs/dbraw/zinc/79/79/45/1373797945.db2.gz DBTRSLZIMCIAEJ-SHOKJUJBSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222071976 1373815263 /nfs/dbraw/zinc/81/52/63/1373815263.db2.gz FGXXLHYGLDDJQI-SJORKVTESA-N 2 0 349.519 3.362 20 0 EGADRP CCCC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222072059 1373815555 /nfs/dbraw/zinc/81/55/55/1373815555.db2.gz GBQRKCXONPFKHD-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)CC[N@@H+](C)C2CCCCC2)cc1C ZINC001131815906 1373819306 /nfs/dbraw/zinc/81/93/06/1373819306.db2.gz YUUKMRAQKSWVIN-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccccc2C2CC2)CCCC1 ZINC001131840575 1373832688 /nfs/dbraw/zinc/83/26/88/1373832688.db2.gz OSLHEGUWFYFKFD-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001188313413 1388288067 /nfs/dbraw/zinc/28/80/67/1388288067.db2.gz PJPWCUWLEFJMCK-HXUWFJFHSA-N 2 0 343.515 3.051 20 0 EGADRP Cn1cc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)cn1 ZINC001326788128 1388310884 /nfs/dbraw/zinc/31/08/84/1388310884.db2.gz XIZRHRGNDBSWMS-NRFANRHFSA-N 2 0 347.466 3.163 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001326898264 1388342966 /nfs/dbraw/zinc/34/29/66/1388342966.db2.gz GGFINTBNDDFDAP-IBGZPJMESA-N 2 0 349.563 3.458 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCCC(C)C)[C@H]2C1 ZINC001223962168 1375049724 /nfs/dbraw/zinc/04/97/24/1375049724.db2.gz JIGQQDOHVABUEP-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2CC[NH+](CCCC3CCC3)CC2)CC1 ZINC001224754517 1375075077 /nfs/dbraw/zinc/07/50/77/1375075077.db2.gz ZAAOWIDGXDITEC-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CC2CCCCCC2)CC1 ZINC001225245671 1375099277 /nfs/dbraw/zinc/09/92/77/1375099277.db2.gz VLFDZOUJEPRAPI-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001225245029 1375099506 /nfs/dbraw/zinc/09/95/06/1375099506.db2.gz MCMOHROTQGQVQV-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225465484 1375113110 /nfs/dbraw/zinc/11/31/10/1375113110.db2.gz VVTKVRYWYXFYJA-ARJAWSKDSA-N 2 0 349.563 3.437 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001225557323 1375123997 /nfs/dbraw/zinc/12/39/97/1375123997.db2.gz KWQLIVQSFZFAFI-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140262 1375167844 /nfs/dbraw/zinc/16/78/44/1375167844.db2.gz HADWTBAKCDIBOE-IAGOWNOFSA-N 2 0 337.552 3.265 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132154358 1375174553 /nfs/dbraw/zinc/17/45/53/1375174553.db2.gz ZCOGIBSVBNYOMA-MJGOQNOKSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132203381 1375206709 /nfs/dbraw/zinc/20/67/09/1375206709.db2.gz PHDWPBACOYUPKP-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1C/C=C\c1ccccc1 ZINC001132265562 1375254380 /nfs/dbraw/zinc/25/43/80/1375254380.db2.gz OLOQVTKCFFHRIJ-PJKWBFRZSA-N 2 0 343.515 3.011 20 0 EGADRP CCCc1ccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132273149 1375258843 /nfs/dbraw/zinc/25/88/43/1375258843.db2.gz DLKSZKJRGNWTPR-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)CCC1 ZINC001226782327 1375332530 /nfs/dbraw/zinc/33/25/30/1375332530.db2.gz LFPQESISCSKTJD-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132376396 1375338397 /nfs/dbraw/zinc/33/83/97/1375338397.db2.gz MPPJSBHCVFPPGQ-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380744 1375341030 /nfs/dbraw/zinc/34/10/30/1375341030.db2.gz OQKORCLYWCHVOX-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001226891847 1375353572 /nfs/dbraw/zinc/35/35/72/1375353572.db2.gz VKNRSURCMWUFOK-XUVXKRRUSA-N 2 0 347.547 3.378 20 0 EGADRP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410833 1375359630 /nfs/dbraw/zinc/35/96/30/1375359630.db2.gz OWVIZDGYFZOTIH-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001226942183 1375363931 /nfs/dbraw/zinc/36/39/31/1375363931.db2.gz RNNDXRGRVZCBKM-ZACQAIPSSA-N 2 0 325.541 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132440899 1375385467 /nfs/dbraw/zinc/38/54/67/1375385467.db2.gz HRYJIOUZHZVVNZ-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227303359 1375418327 /nfs/dbraw/zinc/41/83/27/1375418327.db2.gz WKMFRWASICBBNH-ZTFGCOKTSA-N 2 0 328.460 3.011 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCC(C)(C)C ZINC001132518949 1375437375 /nfs/dbraw/zinc/43/73/75/1375437375.db2.gz QLWOALSKIGSMSF-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132519398 1375437452 /nfs/dbraw/zinc/43/74/52/1375437452.db2.gz YDKXDDZYFAZZAH-IRXDYDNUSA-N 2 0 325.541 3.122 20 0 EGADRP Cc1cccc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132521298 1375438048 /nfs/dbraw/zinc/43/80/48/1375438048.db2.gz BGMWXZRNYVWZIP-MOPGFXCFSA-N 2 0 345.531 3.113 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525898 1375441850 /nfs/dbraw/zinc/44/18/50/1375441850.db2.gz WPYRVWMJQGAESY-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001227704280 1375464022 /nfs/dbraw/zinc/46/40/22/1375464022.db2.gz WTDQLJDRXAOUBT-WOJBJXKFSA-N 2 0 345.531 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001327102799 1388381314 /nfs/dbraw/zinc/38/13/14/1388381314.db2.gz VMGFUDITMLLTOP-RTBURBONSA-N 2 0 331.504 3.131 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001228112477 1375519387 /nfs/dbraw/zinc/51/93/87/1375519387.db2.gz GDIBVUPYSINLIL-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001228260881 1375536160 /nfs/dbraw/zinc/53/61/60/1375536160.db2.gz GSQSLHJGPZOAFR-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001228365957 1375558165 /nfs/dbraw/zinc/55/81/65/1375558165.db2.gz KICWPGAHSGFNAF-WOJBJXKFSA-N 2 0 345.531 3.279 20 0 EGADRP O=C(NCC[NH2+]CC1CCCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790982 1375567163 /nfs/dbraw/zinc/56/71/63/1375567163.db2.gz OSBSNNSGUNGCGW-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1)[NH+](C)C ZINC001228661865 1375632504 /nfs/dbraw/zinc/63/25/04/1375632504.db2.gz YIMZFKAQKUVINP-QRVBRYPASA-N 2 0 337.552 3.314 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132937673 1375657497 /nfs/dbraw/zinc/65/74/97/1375657497.db2.gz NBVIBTXYALENAW-DOTOQJQBSA-N 2 0 342.487 3.131 20 0 EGADRP Cc1cc(C)c(C[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001228879947 1375704055 /nfs/dbraw/zinc/70/40/55/1375704055.db2.gz ZZOOVTODJREXRM-UHFFFAOYSA-N 2 0 345.531 3.034 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012276 1375709986 /nfs/dbraw/zinc/70/99/86/1375709986.db2.gz QMNKJHCTRFZSTO-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133039942 1375732175 /nfs/dbraw/zinc/73/21/75/1375732175.db2.gz XYLUTSAILDPGKC-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001229058530 1375753808 /nfs/dbraw/zinc/75/38/08/1375753808.db2.gz PWQAKEJOYHZOSQ-DNVCBOLYSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001133073898 1375760262 /nfs/dbraw/zinc/76/02/62/1375760262.db2.gz XUEANOXCDNTXMU-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001229171218 1375780353 /nfs/dbraw/zinc/78/03/53/1375780353.db2.gz KUHNEOVRAJBLNW-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001229463056 1375840136 /nfs/dbraw/zinc/84/01/36/1375840136.db2.gz XKNPCGHOUYMWDY-SHCNBLLESA-N 2 0 335.536 3.188 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133224776 1375853023 /nfs/dbraw/zinc/85/30/23/1375853023.db2.gz DUKQDPMMOMNFAF-WARJXXDVSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001133238190 1375859730 /nfs/dbraw/zinc/85/97/30/1375859730.db2.gz QETDNAAOXHDYLW-OALUTQOASA-N 2 0 339.568 3.373 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133250553 1375870202 /nfs/dbraw/zinc/87/02/02/1375870202.db2.gz YKFKORKTPHQPQS-IAGOWNOFSA-N 2 0 346.519 3.026 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133252983 1375870982 /nfs/dbraw/zinc/87/09/82/1375870982.db2.gz AMFXNUPOTGGTBH-HKUYNNGSSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133261438 1375876451 /nfs/dbraw/zinc/87/64/51/1375876451.db2.gz AOBRJIQZYCGUCF-MOPGFXCFSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCC(C)C)C[C@H]32)C1 ZINC001188917033 1388408995 /nfs/dbraw/zinc/40/89/95/1388408995.db2.gz AIFSIQGDHWKVBC-XUVXKRRUSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133338048 1375930696 /nfs/dbraw/zinc/93/06/96/1375930696.db2.gz SDXBKVPURRUHND-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001133338785 1375930915 /nfs/dbraw/zinc/93/09/15/1375930915.db2.gz YWLWEGKEJSEXGE-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230341306 1376003729 /nfs/dbraw/zinc/00/37/29/1376003729.db2.gz ALGFKHDEFOKDAA-RCCFBDPRSA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001133434496 1376004070 /nfs/dbraw/zinc/00/40/70/1376004070.db2.gz URJUWYNCXOXSOY-QFBILLFUSA-N 2 0 347.547 3.337 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CC(C)C2)CC1)[NH+]1CCCCC1 ZINC001230378752 1376010918 /nfs/dbraw/zinc/01/09/18/1376010918.db2.gz UPOCEPMEHPGFML-QLOJAFMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001230591937 1376090664 /nfs/dbraw/zinc/09/06/64/1376090664.db2.gz NFELXNHWCIHVMD-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001230598059 1376092285 /nfs/dbraw/zinc/09/22/85/1376092285.db2.gz DDCRMMJYGSRNCJ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230598376 1376092706 /nfs/dbraw/zinc/09/27/06/1376092706.db2.gz MPKPJRMLUMSCID-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230622662 1376104807 /nfs/dbraw/zinc/10/48/07/1376104807.db2.gz PPUOMAMYHHNHBN-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230628045 1376106199 /nfs/dbraw/zinc/10/61/99/1376106199.db2.gz GJDWEKMMPSZGAY-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631034 1376108676 /nfs/dbraw/zinc/10/86/76/1376108676.db2.gz WZBJRWRCEHVVJN-PXDRNWIDSA-N 2 0 349.563 3.386 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4c[nH]c5cnccc45)C[C@@H]3C2)cc1 ZINC001231517523 1376255638 /nfs/dbraw/zinc/25/56/38/1376255638.db2.gz XEYUCNVJPZUKIU-PMACEKPBSA-N 2 0 346.478 3.435 20 0 EGADRP C[N@H+](CC(=O)NCC[NH2+]Cc1cc2ccccc2s1)CC(C)(C)C ZINC001133905964 1376258681 /nfs/dbraw/zinc/25/86/81/1376258681.db2.gz LEODPOIOFXHTDJ-UHFFFAOYSA-N 2 0 347.528 3.085 20 0 EGADRP Cc1cc(F)ncc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001231983710 1376372333 /nfs/dbraw/zinc/37/23/33/1376372333.db2.gz BIFGEIRGIBTEKD-GOSISDBHSA-N 2 0 327.447 3.483 20 0 EGADRP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)N1c1ccsc1 ZINC001232014012 1376382663 /nfs/dbraw/zinc/38/26/63/1376382663.db2.gz FRALUAAQXWUXPF-DLBZAZTESA-N 2 0 338.436 3.004 20 0 EGADRP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232014606 1376383745 /nfs/dbraw/zinc/38/37/45/1376383745.db2.gz SHECCGLMRDWKET-CQSZACIVSA-N 2 0 344.459 3.252 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cncc(O)c1)CC2 ZINC001232040716 1376388080 /nfs/dbraw/zinc/38/80/80/1376388080.db2.gz NEBXVGLGGLZHHT-IBGZPJMESA-N 2 0 341.455 3.257 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(c3ncccn3)CC2)c1 ZINC001232146553 1376408918 /nfs/dbraw/zinc/40/89/18/1376408918.db2.gz TXFIESMBTYTVKI-UHFFFAOYSA-N 2 0 328.435 3.057 20 0 EGADRP Fc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001232494312 1376468796 /nfs/dbraw/zinc/46/87/96/1376468796.db2.gz PFIPWDOTHDSTGZ-UHFFFAOYSA-N 2 0 329.419 3.302 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ncc(Cl)cc1Cl ZINC001232575202 1376482761 /nfs/dbraw/zinc/48/27/61/1376482761.db2.gz SZRANGKOVLDRSK-UHFFFAOYSA-N 2 0 347.334 3.094 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134524908 1376576617 /nfs/dbraw/zinc/57/66/17/1376576617.db2.gz SRNLXSINEAVDPU-LSDHHAIUSA-N 2 0 339.549 3.342 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134606962 1376622506 /nfs/dbraw/zinc/62/25/06/1376622506.db2.gz BSXLLFDRMMKLBG-IAGOWNOFSA-N 2 0 345.531 3.106 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134611844 1376623990 /nfs/dbraw/zinc/62/39/90/1376623990.db2.gz CRIWXKITEQMEGF-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730034 1376682162 /nfs/dbraw/zinc/68/21/62/1376682162.db2.gz SCBGWFGSBVYMOS-ZWKOTPCHSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729466 1376682518 /nfs/dbraw/zinc/68/25/18/1376682518.db2.gz IPFIQHWLMGLLTJ-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001134750204 1376699112 /nfs/dbraw/zinc/69/91/12/1376699112.db2.gz PIBAQVNIASJTNZ-LJQANCHMSA-N 2 0 345.531 3.082 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001134765978 1376709413 /nfs/dbraw/zinc/70/94/13/1376709413.db2.gz BRHCHTAGHYDLAZ-ICSRJNTNSA-N 2 0 345.531 3.333 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001134766856 1376709919 /nfs/dbraw/zinc/70/99/19/1376709919.db2.gz OCIYSMJZOONMFK-PMACEKPBSA-N 2 0 343.515 3.033 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001134772236 1376712117 /nfs/dbraw/zinc/71/21/17/1376712117.db2.gz AIIPCFPRBWZMHE-LSDHHAIUSA-N 2 0 325.541 3.026 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001134773139 1376714339 /nfs/dbraw/zinc/71/43/39/1376714339.db2.gz LSHCMHADIJVRGC-IRXDYDNUSA-N 2 0 333.520 3.098 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791017 1376723975 /nfs/dbraw/zinc/72/39/75/1376723975.db2.gz MOEWGEKXLPHXDA-JKSUJKDBSA-N 2 0 337.552 3.312 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791559 1376724996 /nfs/dbraw/zinc/72/49/96/1376724996.db2.gz TZUBDRFYUYLEKF-HOTGVXAUSA-N 2 0 337.552 3.312 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134887633 1376768602 /nfs/dbraw/zinc/76/86/02/1376768602.db2.gz DNMLSJGLLCPXBA-GJZGRUSLSA-N 2 0 330.476 3.257 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888395 1376769071 /nfs/dbraw/zinc/76/90/71/1376769071.db2.gz MIRPMJJNHUFDOI-HUUCEWRRSA-N 2 0 328.460 3.011 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993475 1376832037 /nfs/dbraw/zinc/83/20/37/1376832037.db2.gz JJDVCOWDJUDHMW-GJZGRUSLSA-N 2 0 330.476 3.257 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993916 1376832711 /nfs/dbraw/zinc/83/27/11/1376832711.db2.gz NEHWZKSBNGRCRD-HOTGVXAUSA-N 2 0 342.487 3.401 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(-c2ccsc2)cs1 ZINC001235189173 1376855974 /nfs/dbraw/zinc/85/59/74/1376855974.db2.gz OXUHFJLDWPEORE-UHFFFAOYSA-N 2 0 335.542 3.156 20 0 EGADRP CC(=O)Nc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(C)c1 ZINC001235242638 1376862581 /nfs/dbraw/zinc/86/25/81/1376862581.db2.gz SWNIEKVYSOFIRT-FQEVSTJZSA-N 2 0 329.488 3.308 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427561 1376870313 /nfs/dbraw/zinc/87/03/13/1376870313.db2.gz MELBOJLOLLKKKW-RBUKOAKNSA-N 2 0 330.472 3.075 20 0 EGADRP CCOc1nccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430563 1376871632 /nfs/dbraw/zinc/87/16/32/1376871632.db2.gz IGTDYRUFNJILHN-CABCVRRESA-N 2 0 337.895 3.345 20 0 EGADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(F)c(CO)c3F)c2)CC1 ZINC001235896189 1376912427 /nfs/dbraw/zinc/91/24/27/1376912427.db2.gz IVUVFXZLOBSJLS-UHFFFAOYSA-N 2 0 332.394 3.047 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181493 1376954607 /nfs/dbraw/zinc/95/46/07/1376954607.db2.gz QFZHSNBYPAOLHA-GNBGVQPESA-N 2 0 337.552 3.480 20 0 EGADRP CCC[N@@H+](Cc1ccc(OC(F)(F)F)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236845080 1376966050 /nfs/dbraw/zinc/96/60/50/1376966050.db2.gz YUIATZMBPBYQNR-CQSZACIVSA-N 2 0 346.393 3.415 20 0 EGADRP CCC[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236843861 1376966595 /nfs/dbraw/zinc/96/65/95/1376966595.db2.gz RTWZOUDNWCGWAF-INIZCTEOSA-N 2 0 332.879 3.347 20 0 EGADRP Cc1cc(N(C)C)ncc1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001241250477 1377020006 /nfs/dbraw/zinc/02/00/06/1377020006.db2.gz LJHYWJYVBQBVGN-UHFFFAOYSA-N 2 0 338.499 3.294 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135297571 1377026053 /nfs/dbraw/zinc/02/60/53/1377026053.db2.gz DRNWCTVCOCGOIP-JKSUJKDBSA-N 2 0 349.519 3.408 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135297820 1377026244 /nfs/dbraw/zinc/02/62/44/1377026244.db2.gz HWVLLGMFYZBTLA-CABCVRRESA-N 2 0 337.508 3.264 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299332 1377026847 /nfs/dbraw/zinc/02/68/47/1377026847.db2.gz WEMRHPLJPCOEJK-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299331 1377027304 /nfs/dbraw/zinc/02/73/04/1377027304.db2.gz WEMRHPLJPCOEJK-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP COC(=O)c1ccc(F)cc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001243122649 1377029949 /nfs/dbraw/zinc/02/99/49/1377029949.db2.gz VTBUEWZPDRHNEK-UHFFFAOYSA-N 2 0 342.414 3.202 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(Cl)s1)NC(=O)CCC[NH+](C)C ZINC001135315621 1377033507 /nfs/dbraw/zinc/03/35/07/1377033507.db2.gz QORZYHHLUQPBLK-CHWSQXEVSA-N 2 0 345.940 3.116 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314865 1377033895 /nfs/dbraw/zinc/03/38/95/1377033895.db2.gz IEVHKGUIPQJMLL-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1C ZINC001135316639 1377034528 /nfs/dbraw/zinc/03/45/28/1377034528.db2.gz VOWXJDATFMUIEU-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CN(C)c1cc(F)cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC001244798700 1377040502 /nfs/dbraw/zinc/04/05/02/1377040502.db2.gz GWNGZKLGPKCEBX-UHFFFAOYSA-N 2 0 327.447 3.482 20 0 EGADRP c1ccc(Oc2ccc(CC[NH2+][C@H]3CSC4(C[NH2+]C4)C3)cc2)cc1 ZINC001246157224 1377050351 /nfs/dbraw/zinc/05/03/51/1377050351.db2.gz ATWLAXRCFKGQKS-QGZVFWFLSA-N 2 0 340.492 3.459 20 0 EGADRP CC(C)(C)c1ccc(C[NH+]2CCN([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246820842 1377055224 /nfs/dbraw/zinc/05/52/24/1377055224.db2.gz YEQQIJLJRHAPIV-HXUWFJFHSA-N 2 0 329.532 3.244 20 0 EGADRP Fc1ccc(CN([C@@H]2CCC[NH2+]C2)[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001246938791 1377056063 /nfs/dbraw/zinc/05/60/63/1377056063.db2.gz UBGWJFCBWNQNKL-RBUKOAKNSA-N 2 0 331.479 3.054 20 0 EGADRP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937703 1377056079 /nfs/dbraw/zinc/05/60/79/1377056079.db2.gz BULPKFNSCDIVNX-CWRNSKLLSA-N 2 0 342.405 3.448 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)NC(=O)CC[NH+](C)C ZINC001135372103 1377059851 /nfs/dbraw/zinc/05/98/51/1377059851.db2.gz NBPMFKDAUROLPN-IAGOWNOFSA-N 2 0 345.531 3.279 20 0 EGADRP CC(C)Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001135371445 1377059890 /nfs/dbraw/zinc/05/98/90/1377059890.db2.gz FUCMXVFRMMYWJI-QZTJIDSGSA-N 2 0 347.547 3.210 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001135375447 1377061022 /nfs/dbraw/zinc/06/10/22/1377061022.db2.gz LYBAJQCLDCIQAH-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H]1CC[NH2+][C@@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)C1 ZINC001247795696 1377064426 /nfs/dbraw/zinc/06/44/26/1377064426.db2.gz GVAUODLZXUIOPP-FQDRTLPPSA-N 2 0 339.443 3.259 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001135440211 1377098450 /nfs/dbraw/zinc/09/84/50/1377098450.db2.gz HXSJPPVASTZFIJ-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001254511064 1377105575 /nfs/dbraw/zinc/10/55/75/1377105575.db2.gz UKUZYTUOVAMRCK-IBGZPJMESA-N 3 0 333.495 3.112 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001254526615 1377106582 /nfs/dbraw/zinc/10/65/82/1377106582.db2.gz RXVAYTSEVITTIV-MANSERQUSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@H+]([C@H]1CCC[NH+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254528955 1377106642 /nfs/dbraw/zinc/10/66/42/1377106642.db2.gz BJIKPQNGHWLNGE-INIZCTEOSA-N 2 0 339.524 3.192 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001254530211 1377107179 /nfs/dbraw/zinc/10/71/79/1377107179.db2.gz VBROFOVGCVPRLJ-PZJWPPBQSA-N 2 0 327.516 3.166 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)CC1 ZINC001254530000 1377107365 /nfs/dbraw/zinc/10/73/65/1377107365.db2.gz SUQIOFDAXZIBBH-HNNXBMFYSA-N 2 0 348.874 3.286 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135476371 1377110511 /nfs/dbraw/zinc/11/05/11/1377110511.db2.gz KBWJOVXNTKROOR-ZWKOTPCHSA-N 2 0 347.547 3.346 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676582 1377180889 /nfs/dbraw/zinc/18/08/89/1377180889.db2.gz YVTPYSWIIYQXFH-IRXDYDNUSA-N 2 0 333.520 3.281 20 0 EGADRP CCc1ccc(CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001135705995 1377190575 /nfs/dbraw/zinc/19/05/75/1377190575.db2.gz MOTCAGGQHXNBGD-MSOLQXFVSA-N 2 0 347.547 3.006 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768317 1377206229 /nfs/dbraw/zinc/20/62/29/1377206229.db2.gz NZBLTTCGGJHYRZ-ROUUACIJSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001266182444 1377218834 /nfs/dbraw/zinc/21/88/34/1377218834.db2.gz IECMFKINYRGSSW-HNAYVOBHSA-N 2 0 349.494 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135858242 1377236936 /nfs/dbraw/zinc/23/69/36/1377236936.db2.gz VOXVLOMNWZUPML-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001135926011 1377265423 /nfs/dbraw/zinc/26/54/23/1377265423.db2.gz AQYMSQURLJTLFX-UXHICEINSA-N 2 0 345.531 3.090 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC(C)(C)CC1 ZINC001135938037 1377269934 /nfs/dbraw/zinc/26/99/34/1377269934.db2.gz CUSMKBRHKVXXAC-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001327297728 1388488355 /nfs/dbraw/zinc/48/83/55/1388488355.db2.gz BHSZAYMBIQNJKJ-PMACEKPBSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135974477 1377283577 /nfs/dbraw/zinc/28/35/77/1377283577.db2.gz PUMLREWVBKHZFW-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001135974559 1377283594 /nfs/dbraw/zinc/28/35/94/1377283594.db2.gz RCCMMXRUGJTXBL-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001135974835 1377283803 /nfs/dbraw/zinc/28/38/03/1377283803.db2.gz WKAMWKHWPQKIMK-MSOLQXFVSA-N 2 0 333.520 3.100 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cs1 ZINC001135974681 1377283858 /nfs/dbraw/zinc/28/38/58/1377283858.db2.gz SUOMKTMLDNSEEG-HUUCEWRRSA-N 2 0 339.549 3.161 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135977792 1377285125 /nfs/dbraw/zinc/28/51/25/1377285125.db2.gz ZFUQWTQHKILWNO-JKSUJKDBSA-N 2 0 345.487 3.148 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135981133 1377286157 /nfs/dbraw/zinc/28/61/57/1377286157.db2.gz YOACEWUNNKLUFN-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnc2)C1 ZINC001266364504 1377296842 /nfs/dbraw/zinc/29/68/42/1377296842.db2.gz WZFBFRXQHQONSV-MOPGFXCFSA-N 2 0 340.471 3.005 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266634960 1377354416 /nfs/dbraw/zinc/35/44/16/1377354416.db2.gz NEGJDSPBPANFOI-QWFCFKBJSA-N 2 0 345.531 3.133 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001136536107 1377403505 /nfs/dbraw/zinc/40/35/05/1377403505.db2.gz RHWMKNSZFQLUHY-UXHICEINSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)[NH2+]CC1CCCCC1 ZINC001266954758 1377403595 /nfs/dbraw/zinc/40/35/95/1377403595.db2.gz ATITUJRQHZTMMT-KRWDZBQOSA-N 2 0 345.531 3.079 20 0 EGADRP Cc1ccc2c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c[nH]c2c1 ZINC001136974938 1377448701 /nfs/dbraw/zinc/44/87/01/1377448701.db2.gz SQEDZQMLSSSGEX-UHFFFAOYSA-N 2 0 330.520 3.182 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC001137759317 1377611674 /nfs/dbraw/zinc/61/16/74/1377611674.db2.gz LMWYYRUPPUZVNI-UHFFFAOYSA-N 2 0 338.499 3.426 20 0 EGADRP Cc1ccc2nc(Cl)c(CN(CC[NH+](C)C)CC[NH+](C)C)cc2c1 ZINC001137923063 1377645241 /nfs/dbraw/zinc/64/52/41/1377645241.db2.gz YFQHLOOLWZTVIK-UHFFFAOYSA-N 2 0 348.922 3.122 20 0 EGADRP Cc1cccc(Cl)c1CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001138722341 1377773957 /nfs/dbraw/zinc/77/39/57/1377773957.db2.gz SAZQQUAOLRTMAJ-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)cc1 ZINC001138771995 1377782365 /nfs/dbraw/zinc/78/23/65/1377782365.db2.gz LSPARFSHLHWOLB-UHFFFAOYSA-N 2 0 346.515 3.408 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc3ccc(Br)cc3[nH]1)CC2 ZINC001139472801 1377890468 /nfs/dbraw/zinc/89/04/68/1377890468.db2.gz FIXQKYJSRNAILJ-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965870 1377984601 /nfs/dbraw/zinc/98/46/01/1377984601.db2.gz CXRPMIWQRVXHDG-KRWDZBQOSA-N 2 0 348.288 3.458 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001140513627 1378076645 /nfs/dbraw/zinc/07/66/45/1378076645.db2.gz BCIRWOHGBXMBJC-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2CC(=O)OC)CC1 ZINC001140654258 1378106158 /nfs/dbraw/zinc/10/61/58/1378106158.db2.gz XZNLXPXDWAPKCW-UHFFFAOYSA-N 2 0 332.488 3.098 20 0 EGADRP Cc1nccnc1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001276163393 1378168894 /nfs/dbraw/zinc/16/88/94/1378168894.db2.gz YVMJLANBMVELHT-UHFFFAOYSA-N 2 0 342.409 3.025 20 0 EGADRP C[NH+]1CC2(C1)CCCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001276492812 1378175786 /nfs/dbraw/zinc/17/57/86/1378175786.db2.gz ZMZVHEXGUUDHJF-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP CCN(CC[NH+]1CCC2(CCC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001276491389 1378175896 /nfs/dbraw/zinc/17/58/96/1378175896.db2.gz HGUVSJKXTLVJOF-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)CC1 ZINC001141119874 1378243558 /nfs/dbraw/zinc/24/35/58/1378243558.db2.gz ANVOAGSCOCFTPA-UHFFFAOYSA-N 2 0 325.431 3.415 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CC[C@@H](C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001278131921 1378258554 /nfs/dbraw/zinc/25/85/54/1378258554.db2.gz NUBMTGGYBLUNJW-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CC[C@H](C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001278131918 1378259017 /nfs/dbraw/zinc/25/90/17/1378259017.db2.gz NUBMTGGYBLUNJW-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP NC(=O)CCCCC[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001278217896 1378264203 /nfs/dbraw/zinc/26/42/03/1378264203.db2.gz PMHHHIDRHUKQCM-UHFFFAOYSA-N 2 0 335.536 3.153 20 0 EGADRP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC001327513527 1388544051 /nfs/dbraw/zinc/54/40/51/1388544051.db2.gz XJDPTFMNAXZNKJ-GDBMZVCRSA-N 2 0 344.434 3.055 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1OC1CCCC1 ZINC001141515625 1378337502 /nfs/dbraw/zinc/33/75/02/1378337502.db2.gz KEDCIXXYVYQYLM-MSOLQXFVSA-N 2 0 344.499 3.400 20 0 EGADRP CC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC001142404796 1378440506 /nfs/dbraw/zinc/44/05/06/1378440506.db2.gz HJOPDRIGRUYFRB-KBPBESRZSA-N 2 0 348.288 3.314 20 0 EGADRP Cn1cc2c(cccc2C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001142460514 1378445252 /nfs/dbraw/zinc/44/52/52/1378445252.db2.gz LTLJDLQYPXZOFZ-PMACEKPBSA-N 2 0 346.478 3.137 20 0 EGADRP Cn1cc2c(cccc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001142460513 1378445391 /nfs/dbraw/zinc/44/53/91/1378445391.db2.gz LTLJDLQYPXZOFZ-BGYRXZFFSA-N 2 0 346.478 3.137 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC001142918357 1378509163 /nfs/dbraw/zinc/50/91/63/1378509163.db2.gz AWDFQRVGMZCKSZ-UHFFFAOYSA-N 2 0 329.488 3.310 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001143140334 1378546515 /nfs/dbraw/zinc/54/65/15/1378546515.db2.gz NJFPVQXDEOBAKW-QZTJIDSGSA-N 2 0 339.568 3.323 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001143354160 1378586142 /nfs/dbraw/zinc/58/61/42/1378586142.db2.gz YBCCNCGHKHHZJU-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cc(CN2CC3(C2)CC[NH+](C)CC3)c(F)cc1Br ZINC001144591188 1378749300 /nfs/dbraw/zinc/74/93/00/1378749300.db2.gz UMTMCBBCQHCIIZ-UHFFFAOYSA-N 2 0 341.268 3.424 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CC(CC)CC)CC1 ZINC001283311021 1378797506 /nfs/dbraw/zinc/79/75/06/1378797506.db2.gz QKNVVAHQAVMWRE-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(CC)CC)CC1 ZINC001283311019 1378797524 /nfs/dbraw/zinc/79/75/24/1378797524.db2.gz QKNVVAHQAVMWRE-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146396541 1378834034 /nfs/dbraw/zinc/83/40/34/1378834034.db2.gz AQWUAANWMFKXGB-WYNBNGFRSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397591 1378834250 /nfs/dbraw/zinc/83/42/50/1378834250.db2.gz FXEPWPUTJPZJST-OALUTQOASA-N 2 0 345.531 3.326 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398429 1378834691 /nfs/dbraw/zinc/83/46/91/1378834691.db2.gz NZRFQYOXWVCODH-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC/C=C\c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001146399064 1378834786 /nfs/dbraw/zinc/83/47/86/1378834786.db2.gz UHXFLZIMCSGVPV-VFFQCWDTSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CCC[NH+]1CCCC1 ZINC001146532701 1378861656 /nfs/dbraw/zinc/86/16/56/1378861656.db2.gz BZPSZHUFOKZYAX-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001146593893 1378872962 /nfs/dbraw/zinc/87/29/62/1378872962.db2.gz RCLPMNLOWZTTRD-HUUCEWRRSA-N 2 0 347.494 3.025 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1C ZINC001146593898 1378873156 /nfs/dbraw/zinc/87/31/56/1378873156.db2.gz RDFMGBRRELMANL-ZWKOTPCHSA-N 2 0 333.520 3.017 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001146601112 1378875301 /nfs/dbraw/zinc/87/53/01/1378875301.db2.gz KBHQGQLVQYLDJM-IRXDYDNUSA-N 2 0 345.531 3.277 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)CCCC[NH+]1CCCC1 ZINC001146700328 1378900834 /nfs/dbraw/zinc/90/08/34/1378900834.db2.gz FYEYBXVSKGCLNF-RTBURBONSA-N 2 0 345.531 3.326 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001146704678 1378902920 /nfs/dbraw/zinc/90/29/20/1378902920.db2.gz FTSNZIVAKKOAHO-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001283510148 1378993881 /nfs/dbraw/zinc/99/38/81/1378993881.db2.gz OEDJCMPWFLXIQW-VQIMIIECSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CCCC(C)(C)C)c1ccccc1 ZINC001147457337 1379025189 /nfs/dbraw/zinc/02/51/89/1379025189.db2.gz FGTNYLYSJRNRGI-SFHVURJKSA-N 2 0 333.520 3.212 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717395 1379065251 /nfs/dbraw/zinc/06/52/51/1379065251.db2.gz WLRJFCRDFIMLAE-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148168319 1379127901 /nfs/dbraw/zinc/12/79/01/1379127901.db2.gz PTZOWBWJACGJBO-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2)[NH+](CC)CC ZINC001148285104 1379146329 /nfs/dbraw/zinc/14/63/29/1379146329.db2.gz MOCHKQORLUBZPB-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827543 1379278223 /nfs/dbraw/zinc/27/82/23/1379278223.db2.gz FPVLEDRDLNVMDA-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392919 1379926214 /nfs/dbraw/zinc/92/62/14/1379926214.db2.gz YPWPTEVZCOUHAW-XLIONFOSSA-N 2 0 345.531 3.231 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313664 1380053546 /nfs/dbraw/zinc/05/35/46/1380053546.db2.gz UURWWEIEIFSZRI-PSUNPMBVSA-N 2 0 337.552 3.432 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313502 1380053588 /nfs/dbraw/zinc/05/35/88/1380053588.db2.gz UBLBAOAQBDKUGW-IEBWSBKVSA-N 2 0 335.536 3.186 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677927 1380113574 /nfs/dbraw/zinc/11/35/74/1380113574.db2.gz RWJHJBNBCZQRKC-HUUCEWRRSA-N 2 0 339.549 3.296 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC2(CCC2)C1 ZINC001153720543 1380118684 /nfs/dbraw/zinc/11/86/84/1380118684.db2.gz JCCCBDUIRREXBB-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879826 1380148962 /nfs/dbraw/zinc/14/89/62/1380148962.db2.gz MVGIOCCKVFFAOK-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930271 1380157145 /nfs/dbraw/zinc/15/71/45/1380157145.db2.gz MJIFBQLKNQRVIS-SJORKVTESA-N 2 0 327.557 3.226 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033502 1380187369 /nfs/dbraw/zinc/18/73/69/1380187369.db2.gz BBWHCFMYJGUGEQ-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083235 1380202072 /nfs/dbraw/zinc/20/20/72/1380202072.db2.gz MYVUEDUCBRGYMX-LKGOPFMKSA-N 2 0 346.519 3.091 20 0 EGADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001284790303 1380211972 /nfs/dbraw/zinc/21/19/72/1380211972.db2.gz RGCDDRSXHLPBFU-IPJUCJBFSA-N 2 0 345.531 3.305 20 0 EGADRP CC[N@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348212 1380261384 /nfs/dbraw/zinc/26/13/84/1380261384.db2.gz VSESMGZUYKPGQN-CQSZACIVSA-N 2 0 342.468 3.036 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464540 1380283093 /nfs/dbraw/zinc/28/30/93/1380283093.db2.gz PBPPUJZYTAWQLN-CNZFZVQHSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227128 1380426644 /nfs/dbraw/zinc/42/66/44/1380426644.db2.gz VBSIDRYXAGNDPY-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282978 1380433147 /nfs/dbraw/zinc/43/31/47/1380433147.db2.gz GEELAXLIIHVHHK-HJCTWCACSA-N 2 0 337.552 3.291 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838704 1380497977 /nfs/dbraw/zinc/49/79/77/1380497977.db2.gz BMOAPZPQJCGQSO-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CCCc1ccc(C)cc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193837 1380539513 /nfs/dbraw/zinc/53/95/13/1380539513.db2.gz HTTKWGRECQUAKK-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CC[NH+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200051 1380540774 /nfs/dbraw/zinc/54/07/74/1380540774.db2.gz HPUMZNDECFYQLM-LJQANCHMSA-N 2 0 347.547 3.280 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC ZINC001156318859 1380557520 /nfs/dbraw/zinc/55/75/20/1380557520.db2.gz JSYAFNZSSBSWJM-QZTJIDSGSA-N 2 0 345.547 3.463 20 0 EGADRP COc1cc2cc[nH+]c(NCC[C@H]3CCC[N@H+](C)C3)c2cc1OC ZINC001156389430 1380570128 /nfs/dbraw/zinc/57/01/28/1380570128.db2.gz PYWRBUZYPIOMGU-CQSZACIVSA-N 2 0 329.444 3.396 20 0 EGADRP c1ccc(C[NH+]2CC(CNc3ncccc3C[NH+]3CCCC3)C2)cc1 ZINC001156403149 1380572027 /nfs/dbraw/zinc/57/20/27/1380572027.db2.gz MJNRQZHHHMHIQB-UHFFFAOYSA-N 2 0 336.483 3.221 20 0 EGADRP C[N@H+](Cc1ccc(NCC2C[NH+](Cc3ccccc3)C2)nc1)C1CC1 ZINC001156403560 1380572216 /nfs/dbraw/zinc/57/22/16/1380572216.db2.gz ZQCFJYUWBSQQSC-UHFFFAOYSA-N 2 0 336.483 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC001156432386 1380575693 /nfs/dbraw/zinc/57/56/93/1380575693.db2.gz SCOGKOUUVNGPKC-INIZCTEOSA-N 2 0 338.455 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001328098839 1388670549 /nfs/dbraw/zinc/67/05/49/1388670549.db2.gz QRVLPSSPYHPLBQ-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157108675 1380777143 /nfs/dbraw/zinc/77/71/43/1380777143.db2.gz ABTTWYDQXDEUDI-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157119427 1380781064 /nfs/dbraw/zinc/78/10/64/1380781064.db2.gz YROQZDJOYDMXCM-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157119285 1380781167 /nfs/dbraw/zinc/78/11/67/1380781167.db2.gz SMRAGPJAQRTPPC-UYAOXDASSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001157893400 1381063281 /nfs/dbraw/zinc/06/32/81/1381063281.db2.gz FFDHKICGTVAKLI-YLZBSDIZSA-N 2 0 343.515 3.059 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158032667 1381108921 /nfs/dbraw/zinc/10/89/21/1381108921.db2.gz WHLJCHDNBNITDO-HXUWFJFHSA-N 2 0 337.552 3.271 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C)cs1 ZINC001328253613 1388699363 /nfs/dbraw/zinc/69/93/63/1388699363.db2.gz BMLFAMXCMVDCPK-RHSMWYFYSA-N 2 0 349.544 3.010 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090295 1381126003 /nfs/dbraw/zinc/12/60/03/1381126003.db2.gz SXTSCXUZUVMCCU-LJQANCHMSA-N 2 0 337.552 3.364 20 0 EGADRP CC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097781 1381126176 /nfs/dbraw/zinc/12/61/76/1381126176.db2.gz DYFCYIWXAXFGOR-WHLIDYPQSA-N 2 0 335.536 3.093 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158166108 1381146750 /nfs/dbraw/zinc/14/67/50/1381146750.db2.gz DXMUNBVNRMOYES-QAQDUYKDSA-N 2 0 335.455 3.245 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186607 1381152460 /nfs/dbraw/zinc/15/24/60/1381152460.db2.gz WRTLEAOMSOBDDA-QGZVFWFLSA-N 2 0 328.460 3.061 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCC2CCCCCC2)CC[N@@H+]1C ZINC001158403404 1381231821 /nfs/dbraw/zinc/23/18/21/1381231821.db2.gz HWOYXHDEJNUELY-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158434358 1381244706 /nfs/dbraw/zinc/24/47/06/1381244706.db2.gz IDFDHUWSBOLBIL-LJQANCHMSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158445706 1381248247 /nfs/dbraw/zinc/24/82/47/1381248247.db2.gz NZKSYDDRSWCHGE-RTBURBONSA-N 2 0 339.568 3.323 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158624403 1381327684 /nfs/dbraw/zinc/32/76/84/1381327684.db2.gz BPGOIEDUXUEANT-ZBTAVZRMSA-N 2 0 337.552 3.388 20 0 EGADRP C[N@@H+]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC12CCCCC2 ZINC001158703729 1381358817 /nfs/dbraw/zinc/35/88/17/1381358817.db2.gz UPRFXKGEVGQOSC-LJQANCHMSA-N 2 0 347.547 3.260 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001158786884 1381398269 /nfs/dbraw/zinc/39/82/69/1381398269.db2.gz JVMFCYBBWSBEQT-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)(C)c1cc(Nc2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC001159241106 1381741337 /nfs/dbraw/zinc/74/13/37/1381741337.db2.gz SCKJVYBZWIMUKR-UHFFFAOYSA-N 2 0 338.455 3.168 20 0 EGADRP c1nn(C2CC[NH2+]CC2)cc1Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001159756915 1381891123 /nfs/dbraw/zinc/89/11/23/1381891123.db2.gz FUIUKZBKMKYHSF-UHFFFAOYSA-N 2 0 325.460 3.018 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2cc(OCc3ccccc3)ccc2n1 ZINC001159787402 1381900592 /nfs/dbraw/zinc/90/05/92/1381900592.db2.gz WKRDTMKIZUVSSR-IBGZPJMESA-N 2 0 336.439 3.249 20 0 EGADRP c1ccc(N2CC[NH2+]CC2)c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001159814892 1381908995 /nfs/dbraw/zinc/90/89/95/1381908995.db2.gz WUSNCQDAFMGNAO-SFHVURJKSA-N 2 0 326.488 3.040 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001159910693 1381934563 /nfs/dbraw/zinc/93/45/63/1381934563.db2.gz SYFWAAWSMYFHCZ-LJQANCHMSA-N 2 0 335.536 3.236 20 0 EGADRP Cc1cc(N)[nH+]cc1Nc1ccc(Br)c2c1C[NH2+]CC2 ZINC001159942035 1381943443 /nfs/dbraw/zinc/94/34/43/1381943443.db2.gz SFLJKCAHXCLTOD-UHFFFAOYSA-N 2 0 333.233 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2c(F)cccc2N2CC[NH2+]CC2)c1 ZINC001160056976 1381985060 /nfs/dbraw/zinc/98/50/60/1381985060.db2.gz BSJAGXCXYLGECT-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120857 1382002651 /nfs/dbraw/zinc/00/26/51/1382002651.db2.gz SNOMMXCMNAXUOK-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+]1CCC(COc2ccc(F)cc2NC=C2CC[NH2+]CC2)CC1 ZINC001160144421 1382015753 /nfs/dbraw/zinc/01/57/53/1382015753.db2.gz LEPRXXZKJYQFGU-UHFFFAOYSA-N 2 0 333.451 3.226 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001160274223 1382057909 /nfs/dbraw/zinc/05/79/09/1382057909.db2.gz RIMZRDBIDGZZKH-AZUAARDMSA-N 2 0 343.515 3.034 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccccc2CN2CC[NH2+]CC2)c1F ZINC001160299392 1382066701 /nfs/dbraw/zinc/06/67/01/1382066701.db2.gz VIXDZQRBIRGLJY-UHFFFAOYSA-N 2 0 342.462 3.036 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399999 1382094815 /nfs/dbraw/zinc/09/48/15/1382094815.db2.gz IXIDVXCEHKSIPD-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001160479429 1382119335 /nfs/dbraw/zinc/11/93/35/1382119335.db2.gz VEEVWPKMFKOFQR-YLJYHZDGSA-N 2 0 343.515 3.226 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491278 1382120513 /nfs/dbraw/zinc/12/05/13/1382120513.db2.gz AINOTDWLEWKHKF-SFHVURJKSA-N 2 0 347.547 3.047 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160501273 1382125744 /nfs/dbraw/zinc/12/57/44/1382125744.db2.gz ZOQYHYRIHZJMTF-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592745 1382149466 /nfs/dbraw/zinc/14/94/66/1382149466.db2.gz BYBIGRNPOZTHQK-ONEGZZNKSA-N 2 0 345.531 3.110 20 0 EGADRP Cc1nc(C2CC2)nc(Cl)c1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160951876 1382249286 /nfs/dbraw/zinc/24/92/86/1382249286.db2.gz NDJGPZBIVLPWHN-UHFFFAOYSA-N 2 0 327.819 3.156 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](CC3CCC3)CC2)C1 ZINC001160985424 1382261424 /nfs/dbraw/zinc/26/14/24/1382261424.db2.gz AARPWLJRJMBBTH-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161029042 1382276697 /nfs/dbraw/zinc/27/66/97/1382276697.db2.gz KPYMAYLXXAPOHR-SFHVURJKSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001161042160 1382279991 /nfs/dbraw/zinc/27/99/91/1382279991.db2.gz PDGXQIOWPHRWFL-FXAWDEMLSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC001293540001 1382297471 /nfs/dbraw/zinc/29/74/71/1382297471.db2.gz HBTZLMVBRNMISL-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161102138 1382297666 /nfs/dbraw/zinc/29/76/66/1382297666.db2.gz VBUAGNCTGHTYDF-GOSISDBHSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161208055 1382341616 /nfs/dbraw/zinc/34/16/16/1382341616.db2.gz YXHCHXXBQYYNSM-RBUKOAKNSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161207485 1382342003 /nfs/dbraw/zinc/34/20/03/1382342003.db2.gz UQWWJVJBCQXVBC-GOSISDBHSA-N 2 0 335.536 3.047 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)C(C)C ZINC001161490893 1382420908 /nfs/dbraw/zinc/42/09/08/1382420908.db2.gz ALNLMHCMVVPWCF-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001161497384 1382423779 /nfs/dbraw/zinc/42/37/79/1382423779.db2.gz YXTHYUSDGPJXMJ-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622804 1382463083 /nfs/dbraw/zinc/46/30/83/1382463083.db2.gz UCJLLLDXORRRJM-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161649489 1382470041 /nfs/dbraw/zinc/47/00/41/1382470041.db2.gz JUEWTLXIJNDUBC-QUCCMNQESA-N 2 0 345.531 3.272 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1=CC[N@H+](Cc2ccsc2)CC1 ZINC001161733646 1382491794 /nfs/dbraw/zinc/49/17/94/1382491794.db2.gz HGZKFDHHKOFLAS-UHFFFAOYSA-N 2 0 349.544 3.118 20 0 EGADRP Cc1cnc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c(C[NH3+])c1 ZINC001161828589 1382523076 /nfs/dbraw/zinc/52/30/76/1382523076.db2.gz YDXSFDUEBNFSDC-SFHVURJKSA-N 2 0 328.435 3.141 20 0 EGADRP C[NH+](C)Cc1ccnc(Nc2ccc(Br)cc2C[NH3+])c1 ZINC001161853561 1382530489 /nfs/dbraw/zinc/53/04/89/1382530489.db2.gz NLESPARAROYLAE-UHFFFAOYSA-N 2 0 335.249 3.108 20 0 EGADRP COc1ccnc(C(C)(C)CNc2nc(N3CCCC3)cc(C)[nH+]2)c1 ZINC001162127887 1382633258 /nfs/dbraw/zinc/63/32/58/1382633258.db2.gz ADUYBDRAQGSJTE-UHFFFAOYSA-N 2 0 341.459 3.179 20 0 EGADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1cnc(C[NH3+])c1 ZINC001162304232 1382726929 /nfs/dbraw/zinc/72/69/29/1382726929.db2.gz CEGCCTUAJWULLK-UHFFFAOYSA-N 2 0 326.366 3.192 20 0 EGADRP CC(C)[PH+](CCNc1nccc(N2CCC([NH3+])CC2)n1)C(C)C ZINC001162361986 1382740721 /nfs/dbraw/zinc/74/07/21/1382740721.db2.gz OOAQRYVPSINXJX-UHFFFAOYSA-N 2 0 337.452 3.115 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001162617325 1382811135 /nfs/dbraw/zinc/81/11/35/1382811135.db2.gz GPWHUDUHNLVUPX-IAGOWNOFSA-N 2 0 342.487 3.260 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@@H]([NH3+])Cc4ccccc43)c2cc1OC ZINC001162851212 1382894508 /nfs/dbraw/zinc/89/45/08/1382894508.db2.gz ZMUUMNBAOHDECN-AWEZNQCLSA-N 2 0 335.407 3.274 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C2CCCCC2)nc(C)n1 ZINC001163129420 1382972187 /nfs/dbraw/zinc/97/21/87/1382972187.db2.gz XDABFUCASVMOTF-UHFFFAOYSA-N 2 0 332.496 3.111 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163177365 1382985184 /nfs/dbraw/zinc/98/51/84/1382985184.db2.gz GFLFKMYGPMVPMQ-SFHLNBCPSA-N 2 0 343.515 3.017 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccccc1 ZINC001163242893 1383003694 /nfs/dbraw/zinc/00/36/94/1383003694.db2.gz OMIGTFQSKBMGFI-PMACEKPBSA-N 2 0 343.515 3.108 20 0 EGADRP C[N@H+](Cc1ccc(N2CC[NH+](C)C[C@H]2c2ccccc2)nc1)C1CC1 ZINC001163674209 1383102472 /nfs/dbraw/zinc/10/24/72/1383102472.db2.gz JRICJHFTGIGYLA-FQEVSTJZSA-N 2 0 336.483 3.169 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001328736276 1388833639 /nfs/dbraw/zinc/83/36/39/1388833639.db2.gz ILJQUUKRUVJWRN-MRXNPFEDSA-N 2 0 337.533 3.002 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001164456374 1383188710 /nfs/dbraw/zinc/18/87/10/1383188710.db2.gz QQMGQDIONIJQSH-AZUAARDMSA-N 2 0 345.531 3.274 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001164456768 1383188778 /nfs/dbraw/zinc/18/87/78/1383188778.db2.gz ZEJPRFBTZHSAHU-PMACEKPBSA-N 2 0 345.531 3.356 20 0 EGADRP O=C(NCCC[NH2+]CCCCCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500973 1383193901 /nfs/dbraw/zinc/19/39/01/1383193901.db2.gz MNNCIKIOMKQCBF-GOSISDBHSA-N 2 0 341.515 3.019 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514274 1383195275 /nfs/dbraw/zinc/19/52/75/1383195275.db2.gz NZULCAOQBRVZNL-GHOSXJJBSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001164514841 1383195396 /nfs/dbraw/zinc/19/53/96/1383195396.db2.gz UIWIDWSYRCBNHU-IBGZPJMESA-N 2 0 347.547 3.236 20 0 EGADRP C[N@H+](Cc1ccc(N2CCC(C3CC[NH+](C)CC3)CC2)nc1)C1CC1 ZINC001165066941 1383220950 /nfs/dbraw/zinc/22/09/50/1383220950.db2.gz HRBKLZHHLYWZIM-UHFFFAOYSA-N 2 0 342.531 3.234 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccccc2O[C@H]2CC[NH2+]C2)cc1 ZINC001165213717 1383250423 /nfs/dbraw/zinc/25/04/23/1383250423.db2.gz XIVZFAHDIQWWGB-SFHVURJKSA-N 2 0 341.455 3.111 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001165245724 1383256915 /nfs/dbraw/zinc/25/69/15/1383256915.db2.gz CYWXYEUDFNKHMJ-SJORKVTESA-N 2 0 349.519 3.267 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(CC)CC)CC1 ZINC001165333183 1383275331 /nfs/dbraw/zinc/27/53/31/1383275331.db2.gz NYXHABPIMQISII-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001165334659 1383275882 /nfs/dbraw/zinc/27/58/82/1383275882.db2.gz ZNCIHNLXHNAYMY-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP COc1cc2cc[nH+]c(N3CCCCC34CC[NH2+]CC4)c2cc1OC ZINC001165338789 1383277166 /nfs/dbraw/zinc/27/71/66/1383277166.db2.gz GOEKKVBJFBKWQC-UHFFFAOYSA-N 2 0 341.455 3.365 20 0 EGADRP CN(C)c1nc(NCC2C[NH+](Cc3ccccc3)C2)nc2ccccc21 ZINC001165427023 1383294046 /nfs/dbraw/zinc/29/40/46/1383294046.db2.gz HTOXEORRMNBLRW-UHFFFAOYSA-N 2 0 347.466 3.240 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472236 1383300491 /nfs/dbraw/zinc/30/04/91/1383300491.db2.gz IFMIKFZOOQZLNJ-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165567979 1383310885 /nfs/dbraw/zinc/31/08/85/1383310885.db2.gz CUXASDMBJUGZRW-WRFKIARRSA-N 2 0 335.536 3.093 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165569366 1383311948 /nfs/dbraw/zinc/31/19/48/1383311948.db2.gz XTHPWPJGYOXEML-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2c(C)cccc2C)CC1)[NH+](C)C ZINC001165727626 1383334288 /nfs/dbraw/zinc/33/42/88/1383334288.db2.gz FBYXOJGXHSWWTA-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001165763527 1383341313 /nfs/dbraw/zinc/34/13/13/1383341313.db2.gz AKOWKZXQUXTFOD-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926799 1383366032 /nfs/dbraw/zinc/36/60/32/1383366032.db2.gz DOHKOBIMYAAAGQ-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2o1)[NH+](CC)CC ZINC001166425079 1383421260 /nfs/dbraw/zinc/42/12/60/1383421260.db2.gz ODUDZBPLKLTBQM-GOSISDBHSA-N 2 0 345.487 3.149 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC)cc1 ZINC001166440533 1383422751 /nfs/dbraw/zinc/42/27/51/1383422751.db2.gz ZYNXVCLOZJJLJX-FQEVSTJZSA-N 2 0 347.547 3.355 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001166448481 1383423712 /nfs/dbraw/zinc/42/37/12/1383423712.db2.gz UGMDXRONCPBHQC-LJQANCHMSA-N 2 0 333.520 3.020 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F)[NH+](CC)CC ZINC001166455815 1383423995 /nfs/dbraw/zinc/42/39/95/1383423995.db2.gz ZWJDUVSHZUJTMW-YJBOKZPZSA-N 2 0 337.483 3.103 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166751897 1383471574 /nfs/dbraw/zinc/47/15/74/1383471574.db2.gz ZDZCWBFRIWQEGI-AATRIKPKSA-N 2 0 345.531 3.003 20 0 EGADRP COC(=O)Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc[nH+]1 ZINC001166911519 1383498922 /nfs/dbraw/zinc/49/89/22/1383498922.db2.gz VSNYUHPMGSAFCE-IBGZPJMESA-N 2 0 339.439 3.046 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166986551 1383509950 /nfs/dbraw/zinc/50/99/50/1383509950.db2.gz NVJAZTMUUYZGNQ-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1ccccc1 ZINC001167224455 1383570067 /nfs/dbraw/zinc/57/00/67/1383570067.db2.gz KPTJKOGLQMQNED-MSOLQXFVSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167225451 1383570712 /nfs/dbraw/zinc/57/07/12/1383570712.db2.gz WETIISATAZXEQL-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001167260698 1383578041 /nfs/dbraw/zinc/57/80/41/1383578041.db2.gz FLDKQWVLGUHBDD-ABHNRTSZSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccc2c(c1)[nH+]ccc2N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167378161 1383616385 /nfs/dbraw/zinc/61/63/85/1383616385.db2.gz FDCIIXRMQWLPDJ-UHFFFAOYSA-N 2 0 333.435 3.278 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001167484240 1383647052 /nfs/dbraw/zinc/64/70/52/1383647052.db2.gz ZZRJRGUNSWWIHT-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP C[C@H](C(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001300205943 1383651801 /nfs/dbraw/zinc/65/18/01/1383651801.db2.gz BFPXEVVLKZQSIC-BMQTXXJKSA-N 2 0 343.515 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001167626513 1383692588 /nfs/dbraw/zinc/69/25/88/1383692588.db2.gz CSZBIOPSVANGPR-WOJBJXKFSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001167668454 1383705909 /nfs/dbraw/zinc/70/59/09/1383705909.db2.gz UQWWAFKRQZHZTJ-GOSISDBHSA-N 2 0 345.531 3.192 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784372 1383740868 /nfs/dbraw/zinc/74/08/68/1383740868.db2.gz QUTQFJKBDHKTJL-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@]2(C[C@@H](CCOC)CO2)C1 ZINC001167823498 1383749750 /nfs/dbraw/zinc/74/97/50/1383749750.db2.gz LLUSVLSOFIUGMA-ZCNNSNEGSA-N 2 0 340.552 3.405 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2OC)C1 ZINC001167834172 1383753331 /nfs/dbraw/zinc/75/33/31/1383753331.db2.gz IMWIVAXDHLCTAI-ZWKOTPCHSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC(=O)N(C(C)C)C2)CC1 ZINC001167834451 1383753555 /nfs/dbraw/zinc/75/35/55/1383753555.db2.gz KEHMWBQRDFJHTK-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(CC)(NC(=O)OC(C)(C)C)C1 ZINC001167839644 1383756191 /nfs/dbraw/zinc/75/61/91/1383756191.db2.gz AXHWGUAOWHAOFP-MRXNPFEDSA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001167842914 1383757238 /nfs/dbraw/zinc/75/72/38/1383757238.db2.gz ZPEVLBNXQMEFIS-WIYYLYMNSA-N 2 0 329.532 3.412 20 0 EGADRP COC(=O)c1ccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001167918991 1383769774 /nfs/dbraw/zinc/76/97/74/1383769774.db2.gz PSVVNMZIUCDSDT-YCKXBTPASA-N 2 0 342.483 3.344 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167968909 1383782764 /nfs/dbraw/zinc/78/27/64/1383782764.db2.gz WRFOPVHEDVMTQQ-GSWHEVMTSA-N 2 0 334.504 3.103 20 0 EGADRP Cc1ccnc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167978212 1383784710 /nfs/dbraw/zinc/78/47/10/1383784710.db2.gz MJVOTEKEXQUSRN-YQQQUEKLSA-N 2 0 325.500 3.417 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)nc1 ZINC001167991035 1383789345 /nfs/dbraw/zinc/78/93/45/1383789345.db2.gz FFSQKKSZHMDATI-MRXNPFEDSA-N 2 0 327.407 3.409 20 0 EGADRP C[C@H]1CC(N(CC[NH3+])c2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024118 1383799045 /nfs/dbraw/zinc/79/90/45/1383799045.db2.gz ZZDXBFKOEGRJPX-ROUUACIJSA-N 2 0 338.499 3.288 20 0 EGADRP C[C@H]1CC(n2cc3c(n2)CC[C@H]([NH3+])C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025410 1383799400 /nfs/dbraw/zinc/79/94/00/1383799400.db2.gz CMJWHMKXCBZHGQ-BXWFABGCSA-N 2 0 338.499 3.313 20 0 EGADRP C[C@H]1CC(NC2(C(=O)N(C)C)CCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033297 1383801487 /nfs/dbraw/zinc/80/14/87/1383801487.db2.gz KQFKJORREIMOPD-IRXDYDNUSA-N 2 0 343.515 3.029 20 0 EGADRP COC(=O)C[C@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057705 1383805177 /nfs/dbraw/zinc/80/51/77/1383805177.db2.gz NMPSRHWCRPHDFS-JENIJYKNSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064222 1383808298 /nfs/dbraw/zinc/80/82/98/1383808298.db2.gz OYZWTCHJWFLZEE-UJZAFDIWSA-N 2 0 327.516 3.206 20 0 EGADRP CCOC(=O)CC[N@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064716 1383808785 /nfs/dbraw/zinc/80/87/85/1383808785.db2.gz RLQOZKVXLPGESE-IRXDYDNUSA-N 2 0 332.488 3.313 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH+]1CCC(C3CC[NH+](C)CC3)CC1)C2 ZINC001168279051 1383861244 /nfs/dbraw/zinc/86/12/44/1383861244.db2.gz HXZZZOPREUHHGF-FQEVSTJZSA-N 2 0 328.500 3.216 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001168291305 1383865073 /nfs/dbraw/zinc/86/50/73/1383865073.db2.gz VHZBLLNIMGPJKP-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291489 1383865139 /nfs/dbraw/zinc/86/51/39/1383865139.db2.gz YYPRUAYKPLWGBE-SPCWZHTESA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001168290834 1383865498 /nfs/dbraw/zinc/86/54/98/1383865498.db2.gz KILCPEMUBKQWSR-CALCHBBNSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H](CC[NH2+]C1CCC([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC001168303997 1383868247 /nfs/dbraw/zinc/86/82/47/1383868247.db2.gz IYXFVUYOCQWQEN-QQFBHYJXSA-N 2 0 327.513 3.142 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2(Cc3ccccc3F)CCOCC2)CC1 ZINC001168312492 1383870539 /nfs/dbraw/zinc/87/05/39/1383870539.db2.gz ZTQIQQBDGHSGDR-UHFFFAOYSA-N 2 0 334.479 3.380 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001168315556 1383871581 /nfs/dbraw/zinc/87/15/81/1383871581.db2.gz YTLJJVUMSQYVSJ-MHJFOBGBSA-N 2 0 344.499 3.457 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)CC1 ZINC001168318801 1383871612 /nfs/dbraw/zinc/87/16/12/1383871612.db2.gz GYNKLTBYJVIGNM-UHFFFAOYSA-N 2 0 342.487 3.252 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001168324684 1383873518 /nfs/dbraw/zinc/87/35/18/1383873518.db2.gz VDMWDYAJKMSNTH-UHFFFAOYSA-N 2 0 335.923 3.330 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328941 1383874102 /nfs/dbraw/zinc/87/41/02/1383874102.db2.gz MMKFRTCXDUYBRR-QINBWVTOSA-N 3 0 341.543 3.313 20 0 EGADRP CC(C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168344955 1383878956 /nfs/dbraw/zinc/87/89/56/1383878956.db2.gz HOKXXNBVRBJNHB-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168369045 1383885521 /nfs/dbraw/zinc/88/55/21/1383885521.db2.gz UJAZNZXVIKDKSM-KESTWPANSA-N 2 0 342.531 3.028 20 0 EGADRP c1cn(C2CC[NH+](CC3CC3)CC2)c2cccc(N3CC[NH2+]CC3)c12 ZINC001168391685 1383893445 /nfs/dbraw/zinc/89/34/45/1383893445.db2.gz MSTBIHPEBGMENO-UHFFFAOYSA-N 2 0 338.499 3.098 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CCc4cc(F)ccc4C3)CC2)cc[nH+]1 ZINC001168447475 1383908662 /nfs/dbraw/zinc/90/86/62/1383908662.db2.gz DDHONJLEJRHSQT-LJQANCHMSA-N 2 0 325.431 3.209 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC2(C[NH2+]CC(C)C)CC2)o1 ZINC001168455767 1383911200 /nfs/dbraw/zinc/91/12/00/1383911200.db2.gz XTSJKQKTFLPXHV-UHFFFAOYSA-N 2 0 349.519 3.267 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168591416 1383944037 /nfs/dbraw/zinc/94/40/37/1383944037.db2.gz VKXJMOYJXQBETP-QUCCMNQESA-N 2 0 332.488 3.237 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001168596463 1383944622 /nfs/dbraw/zinc/94/46/22/1383944622.db2.gz WWLVRFZWODMPGX-SFHVURJKSA-N 2 0 327.557 3.277 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C(C)C ZINC001168666456 1383964499 /nfs/dbraw/zinc/96/44/99/1383964499.db2.gz HCEXHSUCNJRUTA-KRWDZBQOSA-N 2 0 327.557 3.275 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC001307421524 1383987573 /nfs/dbraw/zinc/98/75/73/1383987573.db2.gz UDRXJWMOGANAEC-MOPGFXCFSA-N 2 0 338.536 3.410 20 0 EGADRP CC(C)[N@H+]([C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168832174 1384024672 /nfs/dbraw/zinc/02/46/72/1384024672.db2.gz CWJMHKMLRJPCQB-QBPKDAKJSA-N 2 0 339.524 3.365 20 0 EGADRP CC[NH+](CC)Cc1cc(OC)ccc1N(CC[NH3+])c1cccnc1 ZINC001168838774 1384028206 /nfs/dbraw/zinc/02/82/06/1384028206.db2.gz NKUJEBINFMNAJT-UHFFFAOYSA-N 2 0 328.460 3.029 20 0 EGADRP CC(C)(C)OC(=O)Nc1cc(-n2cnc3ccc(C[NH3+])cc32)ccn1 ZINC001168844445 1384031182 /nfs/dbraw/zinc/03/11/82/1384031182.db2.gz MBQJQMNHGIJYPM-UHFFFAOYSA-N 2 0 339.399 3.226 20 0 EGADRP CCN(CCC[NH+](CC)CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308068877 1384084720 /nfs/dbraw/zinc/08/47/20/1384084720.db2.gz RMYBBZNPOVFNIC-INIZCTEOSA-N 2 0 327.513 3.050 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(OC(=O)C(C)(C)C)cc1)C2 ZINC001169081735 1384104079 /nfs/dbraw/zinc/10/40/79/1384104079.db2.gz VORAEONOLUUBLE-BCDXTJNWSA-N 2 0 344.499 3.395 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(c3cccc(Cl)c3)CC1)C2 ZINC001169115293 1384109290 /nfs/dbraw/zinc/10/92/90/1384109290.db2.gz IFOMFLGEAARLPP-PIIMJCKOSA-N 2 0 333.907 3.215 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C3CCCCC3)CC1)C2 ZINC001169118040 1384109296 /nfs/dbraw/zinc/10/92/96/1384109296.db2.gz CGWPLHBYMDCROZ-DHUDUYKCSA-N 2 0 347.547 3.209 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001169134885 1384111977 /nfs/dbraw/zinc/11/19/77/1384111977.db2.gz UKBHUFRWTJYUGW-IBGZPJMESA-N 2 0 345.531 3.192 20 0 EGADRP CC1(C)C[C@H](Nc2cccc(CN3CC[C@@H]([NH3+])C3)c2)C[C@](C)(C[NH3+])C1 ZINC001169151427 1384115542 /nfs/dbraw/zinc/11/55/42/1384115542.db2.gz JNAJEVCOHCVVDT-LMNJBCLMSA-N 2 0 344.547 3.175 20 0 EGADRP CC1(C)C[C@H](Nc2ccccc2Cn2cc[nH+]c2N)C[C@](C)(C[NH3+])C1 ZINC001169154855 1384115917 /nfs/dbraw/zinc/11/59/17/1384115917.db2.gz YYBGOTZQMKWQNY-JXFKEZNVSA-N 2 0 341.503 3.469 20 0 EGADRP C[N@H+](Cc1cccc(F)c1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169155643 1384116153 /nfs/dbraw/zinc/11/61/53/1384116153.db2.gz UCICIMBNFBIGMZ-WKCHPHFGSA-N 2 0 345.506 3.347 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCc4ccccc4O3)CC1)C2 ZINC001169156743 1384116788 /nfs/dbraw/zinc/11/67/88/1384116788.db2.gz ZWFCDIMLNOCSNE-BWTSREIZSA-N 2 0 326.484 3.471 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001169160398 1384117424 /nfs/dbraw/zinc/11/74/24/1384117424.db2.gz DMYXKBKRJRJQJK-BIVLZKPYSA-N 2 0 331.891 3.228 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cccc2c1CC[C@H]2[NH3+] ZINC001169179886 1384119927 /nfs/dbraw/zinc/11/99/27/1384119927.db2.gz RTUSCVOOWTXNNW-LJQANCHMSA-N 2 0 335.451 3.395 20 0 EGADRP C[NH+](C)CCC(C)(C)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169280526 1384131784 /nfs/dbraw/zinc/13/17/84/1384131784.db2.gz RAHRQXADRHHBKI-UHFFFAOYSA-N 2 0 332.488 3.475 20 0 EGADRP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001308682994 1384142171 /nfs/dbraw/zinc/14/21/71/1384142171.db2.gz JXIIJZYZFITMIY-IIBYNOLFSA-N 2 0 342.458 3.113 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001169659333 1384169940 /nfs/dbraw/zinc/16/99/40/1384169940.db2.gz SNUYWPXLDZFZSV-BXWFABGCSA-N 2 0 339.524 3.131 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+]C2CCC([NH+](CC)CC)CC2)CC1 ZINC001169665023 1384170721 /nfs/dbraw/zinc/17/07/21/1384170721.db2.gz VHHBBEQCOVFVDT-AOCRQIFASA-N 2 0 339.524 3.240 20 0 EGADRP [NH3+]CCc1cn([C@H]2CCCN(C(=O)c3ccccc3)C2)c2cc[nH+]cc12 ZINC001169744208 1384181346 /nfs/dbraw/zinc/18/13/46/1384181346.db2.gz HZZBBNUSHPTRGN-SFHVURJKSA-N 2 0 348.450 3.015 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808731 1384187625 /nfs/dbraw/zinc/18/76/25/1384187625.db2.gz DLBCNIACSXGYCX-HKUYNNGSSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809581 1384187761 /nfs/dbraw/zinc/18/77/61/1384187761.db2.gz JBFCZBMKQSEXMU-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@H+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169966772 1384206805 /nfs/dbraw/zinc/20/68/05/1384206805.db2.gz WFJUPBHRNJUYEQ-LJQANCHMSA-N 2 0 336.520 3.401 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC001169975837 1384209123 /nfs/dbraw/zinc/20/91/23/1384209123.db2.gz YGPXIMXJVBMDPO-UHFFFAOYSA-N 2 0 349.519 3.127 20 0 EGADRP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001170239351 1384273628 /nfs/dbraw/zinc/27/36/28/1384273628.db2.gz MKGJCBVVEZXZJV-DOIPELPJSA-N 2 0 328.500 3.398 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001170449470 1384321627 /nfs/dbraw/zinc/32/16/27/1384321627.db2.gz NONUNELESNTSCG-QGZVFWFLSA-N 2 0 330.472 3.154 20 0 EGADRP [NH3+]CCN(c1ccc([C@H]2CCC[NH2+]2)cn1)C12CC3CC(CC(C3)C1)C2 ZINC001170631319 1384353869 /nfs/dbraw/zinc/35/38/69/1384353869.db2.gz TUJMHWVWYCVUQH-WRUMOOJNSA-N 2 0 340.515 3.240 20 0 EGADRP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001312658109 1384363171 /nfs/dbraw/zinc/36/31/71/1384363171.db2.gz CSNCEORHKRUTQU-JENIJYKNSA-N 2 0 348.535 3.097 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001170785967 1384385426 /nfs/dbraw/zinc/38/54/26/1384385426.db2.gz XPJIXYSKJBZRDO-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861694 1384400913 /nfs/dbraw/zinc/40/09/13/1384400913.db2.gz GDSJPEBEVTVWQR-RCCFBDPRSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC001170872707 1384402582 /nfs/dbraw/zinc/40/25/82/1384402582.db2.gz YWJSLOKVKHWQDR-FGTMMUONSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H]([NH3+])CCNc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001170891279 1384406229 /nfs/dbraw/zinc/40/62/29/1384406229.db2.gz VIPVYDKVQYCFJP-APWZRJJASA-N 2 0 326.488 3.314 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2cccc(OCc3ccccc3)c2n1 ZINC001170897413 1384407582 /nfs/dbraw/zinc/40/75/82/1384407582.db2.gz HDXXPMJUZOJFRX-SFHVURJKSA-N 2 0 336.439 3.249 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171120522 1384449848 /nfs/dbraw/zinc/44/98/48/1384449848.db2.gz NRHPFZCZEMMCEW-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001171175079 1384461253 /nfs/dbraw/zinc/46/12/53/1384461253.db2.gz PVWZPRVELCWDLT-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001316616428 1384483763 /nfs/dbraw/zinc/48/37/63/1384483763.db2.gz MUOBSCNYMFZWJQ-LMMKCTJWSA-N 2 0 343.515 3.025 20 0 EGADRP COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1C[C@H]3CC[NH+](C)C[C@H]3C1)CC2 ZINC001171310379 1384491811 /nfs/dbraw/zinc/49/18/11/1384491811.db2.gz JPEQGPPMECYUBK-ILXRZTDVSA-N 2 0 334.891 3.089 20 0 EGADRP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H]3C[C@@]3(C[NH+](C)C)C1)CC2 ZINC001171326295 1384495218 /nfs/dbraw/zinc/49/52/18/1384495218.db2.gz NAWWCUNBQYBFNH-PJIJBLCYSA-N 2 0 334.891 3.089 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001171358101 1384501248 /nfs/dbraw/zinc/50/12/48/1384501248.db2.gz ASMXJQLXMXEKDE-WMZOPIPTSA-N 2 0 339.568 3.273 20 0 EGADRP [NH3+]C[C@H]1COc2ccccc2N1c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001171398920 1384512700 /nfs/dbraw/zinc/51/27/00/1384512700.db2.gz DZGHBGJEFCLXKD-KRWDZBQOSA-N 2 0 347.462 3.192 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171537785 1384555386 /nfs/dbraw/zinc/55/53/86/1384555386.db2.gz HJNHPMIBQKQJQE-QFBILLFUSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)CCCC[NH+](C)C)C1 ZINC001171578765 1384570275 /nfs/dbraw/zinc/57/02/75/1384570275.db2.gz IANGCNNLLGBEPG-ROUUACIJSA-N 2 0 325.541 3.031 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001171579392 1384570553 /nfs/dbraw/zinc/57/05/53/1384570553.db2.gz WBJRGPVVLOXGQQ-UHFFFAOYSA-N 2 0 347.547 3.312 20 0 EGADRP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626332 1384584350 /nfs/dbraw/zinc/58/43/50/1384584350.db2.gz YWPVPKLTUZCKPP-CQSZACIVSA-N 2 0 341.540 3.388 20 0 EGADRP COc1ccc2c(c1)OC[C@@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171629703 1384585510 /nfs/dbraw/zinc/58/55/10/1384585510.db2.gz CURLIYNNQKXUGF-OAHLLOKOSA-N 2 0 346.515 3.487 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171629314 1384585930 /nfs/dbraw/zinc/58/59/30/1384585930.db2.gz KTPHRFRIPBZXEB-MRXNPFEDSA-N 2 0 342.487 3.487 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1(C)C ZINC001171630813 1384586657 /nfs/dbraw/zinc/58/66/57/1384586657.db2.gz CKQYKMYCVHBSSW-INIZCTEOSA-N 2 0 336.442 3.417 20 0 EGADRP CC(C)CC(=O)N1CCC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171642454 1384590442 /nfs/dbraw/zinc/59/04/42/1384590442.db2.gz KDSPJGRPSKTTOX-UHFFFAOYSA-N 2 0 337.552 3.218 20 0 EGADRP [NH3+]CCOCC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171645468 1384591438 /nfs/dbraw/zinc/59/14/38/1384591438.db2.gz NVPFTAHJXWACEL-UHFFFAOYSA-N 2 0 341.293 3.040 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001171726049 1384614841 /nfs/dbraw/zinc/61/48/41/1384614841.db2.gz UVOPUKJUDDOEGG-LJQANCHMSA-N 2 0 349.494 3.031 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC001171732434 1384617974 /nfs/dbraw/zinc/61/79/74/1384617974.db2.gz AINPHKQRZLKPOK-MLZLACJZSA-N 2 0 327.516 3.254 20 0 EGADRP C[C@@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171732589 1384618526 /nfs/dbraw/zinc/61/85/26/1384618526.db2.gz CRIWNUFLTWMIHM-UTKZUKDTSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@H]1C[C@H](N2Cc3ccccc3C[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171741410 1384621674 /nfs/dbraw/zinc/62/16/74/1384621674.db2.gz PDIKGUOEDJVTHO-HSQYWUDLSA-N 2 0 335.495 3.035 20 0 EGADRP C[C@H]1C[C@@H](N2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171755012 1384625588 /nfs/dbraw/zinc/62/55/88/1384625588.db2.gz LCGGDRWKCNWTQW-GHTZIAJQSA-N 2 0 327.516 3.210 20 0 EGADRP C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC001171759034 1384626800 /nfs/dbraw/zinc/62/68/00/1384626800.db2.gz FTHFAFXTFZPLPT-UYAOXDASSA-N 2 0 327.516 3.067 20 0 EGADRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788633 1384637857 /nfs/dbraw/zinc/63/78/57/1384637857.db2.gz TVYSNJSZGZXYHJ-SFHVURJKSA-N 2 0 342.433 3.468 20 0 EGADRP Cc1cncn1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCCC1 ZINC001171817393 1384649502 /nfs/dbraw/zinc/64/95/02/1384649502.db2.gz VKWMBEQQLNHBDH-KRWDZBQOSA-N 2 0 348.535 3.427 20 0 EGADRP C[NH+](C)CCCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867105 1384665889 /nfs/dbraw/zinc/66/58/89/1384665889.db2.gz UCZVQEASDYSSHA-IBGZPJMESA-N 2 0 331.504 3.003 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171923988 1384684008 /nfs/dbraw/zinc/68/40/08/1384684008.db2.gz LGLGVTYNPYUSJD-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929062 1384685195 /nfs/dbraw/zinc/68/51/95/1384685195.db2.gz DJTYALMJSHGOHG-DLBZAZTESA-N 2 0 343.531 3.264 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929030 1384685352 /nfs/dbraw/zinc/68/53/52/1384685352.db2.gz CMQDHCMFIAGONP-IYCSXQJISA-N 2 0 343.943 3.268 20 0 EGADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)N(CCC[NH3+])CCC[NH+](C)C ZINC001171961268 1384696656 /nfs/dbraw/zinc/69/66/56/1384696656.db2.gz UVAWJUJZGKWFHA-OAHLLOKOSA-N 2 0 345.453 3.239 20 0 EGADRP Cc1nn(C)cc1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969628 1384698227 /nfs/dbraw/zinc/69/82/27/1384698227.db2.gz VTUUJHVBIZHXOZ-IBGZPJMESA-N 2 0 326.488 3.261 20 0 EGADRP CC1(C)C[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC001171972503 1384699505 /nfs/dbraw/zinc/69/95/05/1384699505.db2.gz QJJRJZAOHJHHLN-GOSISDBHSA-N 2 0 325.456 3.320 20 0 EGADRP CC1(C)C[C@@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC001171981343 1384702314 /nfs/dbraw/zinc/70/23/14/1384702314.db2.gz CKCCEFOHSKJCHD-MOPGFXCFSA-N 2 0 338.499 3.315 20 0 EGADRP CC1(C)C[C@H](N2CC[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC001171986241 1384706546 /nfs/dbraw/zinc/70/65/46/1384706546.db2.gz GBWVGJBPYAPRRL-HXUWFJFHSA-N 2 0 327.516 3.210 20 0 EGADRP CC1(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)OCCO1 ZINC001172065799 1384716488 /nfs/dbraw/zinc/71/64/88/1384716488.db2.gz RCWKVBAKEIFWOM-ACDBMABISA-N 2 0 344.499 3.315 20 0 EGADRP O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1F ZINC001172069748 1384718051 /nfs/dbraw/zinc/71/80/51/1384718051.db2.gz UIIOHVRDVKJDFD-XIYVOTBMSA-N 2 0 346.490 3.367 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+]4CCC2CC4)C3)cc1 ZINC001172081912 1384722743 /nfs/dbraw/zinc/72/27/43/1384722743.db2.gz ICIRMTVXVQKWPH-ZBYYUNFXSA-N 2 0 339.527 3.352 20 0 EGADRP CC(C)N(CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172109126 1384728114 /nfs/dbraw/zinc/72/81/14/1384728114.db2.gz GSJGTKXEIQSPFC-BJWYYQGGSA-N 2 0 339.524 3.237 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccccc3F)CC1)C2 ZINC001172112325 1384729760 /nfs/dbraw/zinc/72/97/60/1384729760.db2.gz UTVOKCMTYZNMHU-BWTSREIZSA-N 2 0 345.506 3.177 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCC1)C2 ZINC001172114061 1384730990 /nfs/dbraw/zinc/73/09/90/1384730990.db2.gz OLZLJERRRLOLJP-BJWYYQGGSA-N 2 0 336.520 3.493 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125316 1384735552 /nfs/dbraw/zinc/73/55/52/1384735552.db2.gz PJPVWSITJCVKAD-ACDBMABISA-N 2 0 329.488 3.078 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC001172218551 1384749969 /nfs/dbraw/zinc/74/99/69/1384749969.db2.gz XNNRPWVNEKJGLJ-SXIALBCKSA-N 2 0 326.484 3.197 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@H]3C2)cc1 ZINC001172227254 1384752068 /nfs/dbraw/zinc/75/20/68/1384752068.db2.gz SCBAFLNFYXSELN-SPYJTGKRSA-N 2 0 326.484 3.150 20 0 EGADRP CC1(C)C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CO1 ZINC001172292189 1384761437 /nfs/dbraw/zinc/76/14/37/1384761437.db2.gz NZXMICCEHWBXKR-UFYCRDLUSA-N 2 0 328.500 3.398 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001172326488 1384770190 /nfs/dbraw/zinc/77/01/90/1384770190.db2.gz BIVHTEFCXAFSMW-MSOLQXFVSA-N 2 0 340.552 3.308 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172542945 1384809972 /nfs/dbraw/zinc/80/99/72/1384809972.db2.gz JXTUIEVFMOBBJK-CLAROIROSA-N 2 0 341.543 3.423 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001172602000 1384816826 /nfs/dbraw/zinc/81/68/26/1384816826.db2.gz MKVHESABUOPXEB-PKOBYXMFSA-N 2 0 336.520 3.353 20 0 EGADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172667293 1384830882 /nfs/dbraw/zinc/83/08/82/1384830882.db2.gz DSDSSFHYVKRINQ-WOJBJXKFSA-N 2 0 343.515 3.019 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754746 1384843884 /nfs/dbraw/zinc/84/38/84/1384843884.db2.gz YNHUNGVXPYGZAP-ZHALLVOQSA-N 2 0 347.503 3.274 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(Cc3ccccn3)CC1)CC2 ZINC001172829491 1384859971 /nfs/dbraw/zinc/85/99/71/1384859971.db2.gz XHIISYLUNPQGQB-OAQYLSRUSA-N 2 0 335.495 3.283 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172944666 1384885358 /nfs/dbraw/zinc/88/53/58/1384885358.db2.gz XZVPXJWWTXJQNP-HNNXBMFYSA-N 2 0 327.513 3.094 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001173102198 1384915159 /nfs/dbraw/zinc/91/51/59/1384915159.db2.gz UOMNNYKJAPMPEC-IOJLRTSASA-N 2 0 343.515 3.030 20 0 EGADRP CC[NH+](CC)C1CCC(n2nc(-c3ccccc3)nc2CC[NH3+])CC1 ZINC001173103034 1384915571 /nfs/dbraw/zinc/91/55/71/1384915571.db2.gz GBTYMGOJQNMPDJ-UHFFFAOYSA-N 2 0 341.503 3.272 20 0 EGADRP CC[NH+](CC)C1CCC(n2nc(COCC3CC3)c3c2C[NH2+]C3)CC1 ZINC001173111021 1384916871 /nfs/dbraw/zinc/91/68/71/1384916871.db2.gz MBPCMNNVHGQDTE-UHFFFAOYSA-N 2 0 346.519 3.238 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 ZINC001173111659 1384917145 /nfs/dbraw/zinc/91/71/45/1384917145.db2.gz JLKFVRQNVLBLQK-CTWPCTMYSA-N 2 0 335.536 3.116 20 0 EGADRP c1nc2c(s1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001173122293 1384918860 /nfs/dbraw/zinc/91/88/60/1384918860.db2.gz XEBHWNWRAQPLRP-DLBZAZTESA-N 2 0 327.497 3.112 20 0 EGADRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173125916 1384919112 /nfs/dbraw/zinc/91/91/12/1384919112.db2.gz JKLYQGRWRNEJGS-INIZCTEOSA-N 2 0 345.487 3.176 20 0 EGADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173343169 1384962925 /nfs/dbraw/zinc/96/29/25/1384962925.db2.gz GCCAWJOHHBYQRK-FHWLQOOXSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173410167 1384966918 /nfs/dbraw/zinc/96/69/18/1384966918.db2.gz AXJWFOQVVLAVCG-GOSISDBHSA-N 2 0 349.906 3.017 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001317193982 1384968369 /nfs/dbraw/zinc/96/83/69/1384968369.db2.gz FIJLCPITLOUUQQ-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001173438211 1384969923 /nfs/dbraw/zinc/96/99/23/1384969923.db2.gz YWAJZYFRZNIHIQ-PKOBYXMFSA-N 2 0 332.488 3.220 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC001173435058 1384969929 /nfs/dbraw/zinc/96/99/29/1384969929.db2.gz JPEKBTSSKQHUDS-KRWDZBQOSA-N 2 0 332.488 3.363 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173619404 1384989985 /nfs/dbraw/zinc/98/99/85/1384989985.db2.gz ARSBBXCXTBEQDA-HSALFYBXSA-N 2 0 344.499 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317343512 1385094540 /nfs/dbraw/zinc/09/45/40/1385094540.db2.gz LYANSKGPHKPHBQ-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001317362866 1385105270 /nfs/dbraw/zinc/10/52/70/1385105270.db2.gz HVIFERPLZFDXJL-VQTJNVASSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001317416387 1385125969 /nfs/dbraw/zinc/12/59/69/1385125969.db2.gz VCKGQEXHMGCHRS-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174882332 1385164490 /nfs/dbraw/zinc/16/44/90/1385164490.db2.gz QJWOGSBVSJAOTN-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)CC[NH+](C)C ZINC001175048831 1385186082 /nfs/dbraw/zinc/18/60/82/1385186082.db2.gz LABWVIQBCHMONJ-JKSUJKDBSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)CC[NH+](C)C ZINC001175049745 1385186538 /nfs/dbraw/zinc/18/65/38/1385186538.db2.gz XTSWDQLTEYUSIT-DNVCBOLYSA-N 2 0 349.494 3.029 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001175056335 1385187190 /nfs/dbraw/zinc/18/71/90/1385187190.db2.gz MHOIUNYPCHDPFZ-HZPDHXFCSA-N 2 0 337.483 3.103 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001175056911 1385187493 /nfs/dbraw/zinc/18/74/93/1385187493.db2.gz QPTPYDIWQVODPO-ZWKOTPCHSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1ccccc1F ZINC001175057257 1385187676 /nfs/dbraw/zinc/18/76/76/1385187676.db2.gz YEUZGEVIURYLJH-JKSUJKDBSA-N 2 0 337.483 3.103 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)[NH+](CC)CC ZINC001175217734 1385223159 /nfs/dbraw/zinc/22/31/59/1385223159.db2.gz JLSYUVWPRLHZDH-AOOXPWSASA-N 2 0 331.932 3.124 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255834 1385230646 /nfs/dbraw/zinc/23/06/46/1385230646.db2.gz HKXAUGDWTAQQEN-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257338 1385231990 /nfs/dbraw/zinc/23/19/90/1385231990.db2.gz ZOKCEKJHQQRSJE-SJORKVTESA-N 2 0 349.494 3.075 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001175262987 1385233122 /nfs/dbraw/zinc/23/31/22/1385233122.db2.gz MNPHVNTUTILHCN-MOPGFXCFSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001175305819 1385246281 /nfs/dbraw/zinc/24/62/81/1385246281.db2.gz RBDRKPUHGFHLAX-AEFFLSMTSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001175317530 1385251008 /nfs/dbraw/zinc/25/10/08/1385251008.db2.gz OIEHPHDWUDKPLS-MJGOQNOKSA-N 2 0 333.520 3.100 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317536396 1385266910 /nfs/dbraw/zinc/26/69/10/1385266910.db2.gz NVFOGDUVJJHCMM-MOPGFXCFSA-N 2 0 343.515 3.062 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1CC ZINC001317543364 1385285128 /nfs/dbraw/zinc/28/51/28/1385285128.db2.gz UUYPMDUUUVTDDH-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[N@H+](CCC2CCCCCC2)C2CC2)CCC1 ZINC001317552240 1385312927 /nfs/dbraw/zinc/31/29/27/1385312927.db2.gz QQYOHGFJXGHFAN-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001317554171 1385318600 /nfs/dbraw/zinc/31/86/00/1385318600.db2.gz UUNMYWISSYYRIZ-PMACEKPBSA-N 2 0 343.515 3.203 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3cc[nH+]c(N(C)C)c3)cc2)CC1 ZINC001175783777 1385404468 /nfs/dbraw/zinc/40/44/68/1385404468.db2.gz TVLHLHQTYPBUPY-UHFFFAOYSA-N 2 0 325.460 3.033 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC001317711810 1385413645 /nfs/dbraw/zinc/41/36/45/1385413645.db2.gz UJCWBFOZYXJDNP-HXUWFJFHSA-N 2 0 345.531 3.307 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)CC1 ZINC001175968016 1385447657 /nfs/dbraw/zinc/44/76/57/1385447657.db2.gz SMRMWFIWVRZBIX-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001176111410 1385487089 /nfs/dbraw/zinc/48/70/89/1385487089.db2.gz HQSTXLOKLJCQTR-QZTJIDSGSA-N 2 0 325.541 3.314 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)c1ccccc1 ZINC001176120246 1385489478 /nfs/dbraw/zinc/48/94/78/1385489478.db2.gz LTTHSPWSZGCEQR-PKOBYXMFSA-N 2 0 333.520 3.352 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317845311 1385531301 /nfs/dbraw/zinc/53/13/01/1385531301.db2.gz OPQLLDCIQVJDNK-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001176269469 1385532364 /nfs/dbraw/zinc/53/23/64/1385532364.db2.gz UEQXUFJAVXAUNQ-LXPRWKDFSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176283974 1385539091 /nfs/dbraw/zinc/53/90/91/1385539091.db2.gz CBXRBOUMZUDIOR-ROUUACIJSA-N 2 0 327.557 3.275 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001176590625 1385634747 /nfs/dbraw/zinc/63/47/47/1385634747.db2.gz CPMZMINQRQHMFJ-ZWKOTPCHSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC001176591914 1385635122 /nfs/dbraw/zinc/63/51/22/1385635122.db2.gz SQXKGXIIBLATSH-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629383 1385643205 /nfs/dbraw/zinc/64/32/05/1385643205.db2.gz WPIBJFIHENNYNH-YRYLYKBFSA-N 2 0 343.943 3.270 20 0 EGADRP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1c(C)cccc1C ZINC001698611945 1406241326 /nfs/dbraw/zinc/24/13/26/1406241326.db2.gz ASZNDAPOJXJMKO-SFHVURJKSA-N 2 0 347.547 3.266 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754388 1385684128 /nfs/dbraw/zinc/68/41/28/1385684128.db2.gz UHUPXAHULWBDKG-BLGFXRMMSA-N 2 0 325.541 3.338 20 0 EGADRP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cs1 ZINC001176753729 1385684473 /nfs/dbraw/zinc/68/44/73/1385684473.db2.gz LSTMHPHURORTGA-OAHLLOKOSA-N 2 0 339.549 3.161 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001176758808 1385686178 /nfs/dbraw/zinc/68/61/78/1385686178.db2.gz FMLPEENYDYYSON-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176814733 1385711552 /nfs/dbraw/zinc/71/15/52/1385711552.db2.gz JQIGOFGMUKRKFZ-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176857193 1385725288 /nfs/dbraw/zinc/72/52/88/1385725288.db2.gz RWYHAPQFRNPATD-IAGOWNOFSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C)c1ccccc1 ZINC001176947962 1385752026 /nfs/dbraw/zinc/75/20/26/1385752026.db2.gz AEJSABITONLDHH-QGZVFWFLSA-N 2 0 339.483 3.219 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)CC[N@@H+]1C ZINC001177324332 1385915316 /nfs/dbraw/zinc/91/53/16/1385915316.db2.gz XAJMHRZSPODJGU-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)[NH+](C)C ZINC001177348924 1385924327 /nfs/dbraw/zinc/92/43/27/1385924327.db2.gz RGVFXMYYBZCBJU-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1CC[NH+](CC2CCCCC2)CC1 ZINC001319040058 1385942097 /nfs/dbraw/zinc/94/20/97/1385942097.db2.gz VGEYYGFQVMBMNQ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)[NH+](C)C ZINC001177416281 1385949509 /nfs/dbraw/zinc/94/95/09/1385949509.db2.gz YXVSQRSPCMFJLE-MJGOQNOKSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]C[C@H](F)CC)CC1CCCC1 ZINC001177466673 1385966844 /nfs/dbraw/zinc/96/68/44/1385966844.db2.gz BCDIJPIMDSCIAL-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319186957 1385998295 /nfs/dbraw/zinc/99/82/95/1385998295.db2.gz ZUCDMWWURRCINV-OXQOHEQNSA-N 2 0 345.531 3.018 20 0 EGADRP COc1ccc2c(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC001319199057 1386003447 /nfs/dbraw/zinc/00/34/47/1386003447.db2.gz NOPCCADOPKSFTG-QUCCMNQESA-N 2 0 341.455 3.299 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001178045516 1386115194 /nfs/dbraw/zinc/11/51/94/1386115194.db2.gz NDEBUZMECPDGGL-SQSZOCELSA-N 2 0 343.515 3.060 20 0 EGADRP O=c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC001178285081 1386180489 /nfs/dbraw/zinc/18/04/89/1386180489.db2.gz JRRGSCAWUJKXOA-XUVXKRRUSA-N 2 0 337.467 3.178 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001319587777 1386191650 /nfs/dbraw/zinc/19/16/50/1386191650.db2.gz AOZJFJLUPQOXFD-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]([NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC001698634353 1406278956 /nfs/dbraw/zinc/27/89/56/1406278956.db2.gz OKJNHEQIMQBWRX-QGZVFWFLSA-N 2 0 343.515 3.108 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178471867 1386226982 /nfs/dbraw/zinc/22/69/82/1386226982.db2.gz MGDRXYZWGUVUEV-GOSISDBHSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC001319652669 1386235321 /nfs/dbraw/zinc/23/53/21/1386235321.db2.gz ZGDYZDPBMCZVNS-GOSISDBHSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001178518749 1386240360 /nfs/dbraw/zinc/24/03/60/1386240360.db2.gz YTESBSRSDJINOS-IEBWSBKVSA-N 2 0 335.536 3.093 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178612116 1386262410 /nfs/dbraw/zinc/26/24/10/1386262410.db2.gz BUQHUEIYSZGGRQ-JTHGQSKGSA-N 2 0 343.531 3.289 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178634530 1386265865 /nfs/dbraw/zinc/26/58/65/1386265865.db2.gz YJGMQAUQHSLQKD-UEKDZROGSA-N 2 0 337.552 3.483 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178689729 1386279309 /nfs/dbraw/zinc/27/93/09/1386279309.db2.gz XERKHCXWCKPVEE-OZHPBFKBSA-N 2 0 335.536 3.185 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178692833 1386279929 /nfs/dbraw/zinc/27/99/29/1386279929.db2.gz CYONLWZNIWXTFS-ZWKOTPCHSA-N 2 0 343.531 3.264 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693622 1386280899 /nfs/dbraw/zinc/28/08/99/1386280899.db2.gz XYODAZMDIILKPB-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CCC1CCCC1)C1CC1 ZINC001178698162 1386281475 /nfs/dbraw/zinc/28/14/75/1386281475.db2.gz ADPGEIQOLZIISO-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001178698327 1386281777 /nfs/dbraw/zinc/28/17/77/1386281777.db2.gz DASAUQFIZVQBFH-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178701965 1386282992 /nfs/dbraw/zinc/28/29/92/1386282992.db2.gz HBTTVWFFOUDGGG-WAYWQWQTSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC001319763647 1386285376 /nfs/dbraw/zinc/28/53/76/1386285376.db2.gz QGJNRWOXJUXZTP-HNNXBMFYSA-N 2 0 344.890 3.338 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001319764280 1386285792 /nfs/dbraw/zinc/28/57/92/1386285792.db2.gz ZVSNTAUZKXIRNW-MRXNPFEDSA-N 2 0 327.447 3.428 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001319810704 1386308908 /nfs/dbraw/zinc/30/89/08/1386308908.db2.gz SCMBVXPEBNVDES-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001178810545 1386313820 /nfs/dbraw/zinc/31/38/20/1386313820.db2.gz FROGRAGJUPTKLF-RBUKOAKNSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178810573 1386314236 /nfs/dbraw/zinc/31/42/36/1386314236.db2.gz HBJQTYGFBNZERR-PMACEKPBSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001178815587 1386315225 /nfs/dbraw/zinc/31/52/25/1386315225.db2.gz FQRFVALVFVKZQD-NLBZTSMMSA-N 2 0 345.531 3.306 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178877472 1386336463 /nfs/dbraw/zinc/33/64/63/1386336463.db2.gz BYGGIUWZWQGYKU-OTWHNJEPSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001178890648 1386340485 /nfs/dbraw/zinc/34/04/85/1386340485.db2.gz JNQRPRKHJHXXOU-KSZLIROESA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001178891416 1386340558 /nfs/dbraw/zinc/34/05/58/1386340558.db2.gz SAHFUTJSEVPURJ-IHPCNDPISA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178920637 1386349107 /nfs/dbraw/zinc/34/91/07/1386349107.db2.gz CCYOJXXWFVCMJU-MSOLQXFVSA-N 2 0 343.531 3.121 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179233889 1386428555 /nfs/dbraw/zinc/42/85/55/1386428555.db2.gz FHNRWJQQOXFRDP-WDSOQIARSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C[C@@H](C)CC)C1 ZINC001179357850 1386462454 /nfs/dbraw/zinc/46/24/54/1386462454.db2.gz NJNCHZHANVZLMZ-RBUKOAKNSA-N 2 0 339.568 3.421 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179388439 1386471415 /nfs/dbraw/zinc/47/14/15/1386471415.db2.gz GVOFPPPCQNNAJI-NEPBSLMDSA-N 2 0 335.536 3.044 20 0 EGADRP CC1CCC(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)CC1 ZINC001179399892 1386474978 /nfs/dbraw/zinc/47/49/78/1386474978.db2.gz GDKUEPNREVWAJJ-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179404090 1386477058 /nfs/dbraw/zinc/47/70/58/1386477058.db2.gz ZYHPDZMCNTVQNU-SFHVURJKSA-N 2 0 327.557 3.277 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001179434934 1386483304 /nfs/dbraw/zinc/48/33/04/1386483304.db2.gz FEIUWZHRIHYLIC-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001179464193 1386488839 /nfs/dbraw/zinc/48/88/39/1386488839.db2.gz OTGSPMNEMUUBHM-MRXNPFEDSA-N 2 0 337.483 3.105 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001179499109 1386498839 /nfs/dbraw/zinc/49/88/39/1386498839.db2.gz MFZZDPHXWGNTEG-HXUWFJFHSA-N 2 0 347.547 3.347 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H]1C)[NH+](CC)CC ZINC001179518007 1386504083 /nfs/dbraw/zinc/50/40/83/1386504083.db2.gz ZWFLZTDKXGOQTN-IHPCNDPISA-N 2 0 345.531 3.194 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C)[NH+](CC)CC ZINC001179517289 1386504147 /nfs/dbraw/zinc/50/41/47/1386504147.db2.gz OUNPOCZPWVGTEI-SZMVWBNQSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001179589867 1386525057 /nfs/dbraw/zinc/52/50/57/1386525057.db2.gz DGKFCWDQRVCLLO-UHFFFAOYSA-N 2 0 347.547 3.327 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592439 1386527039 /nfs/dbraw/zinc/52/70/39/1386527039.db2.gz BRRHICSAEXFQOU-QGZVFWFLSA-N 2 0 327.557 3.277 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609149 1386530426 /nfs/dbraw/zinc/53/04/26/1386530426.db2.gz KREWGLILCACPBM-BLGFXRMMSA-N 2 0 325.541 3.339 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001179719843 1386564569 /nfs/dbraw/zinc/56/45/69/1386564569.db2.gz QLDYWWKGXQZQOI-LPHOPBHVSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001179746807 1386570892 /nfs/dbraw/zinc/57/08/92/1386570892.db2.gz YNBNCMWGWUNCJB-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001179779212 1386581844 /nfs/dbraw/zinc/58/18/44/1386581844.db2.gz FFYBQQRSBRSZOH-RJCMGOLDSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001179843081 1386604379 /nfs/dbraw/zinc/60/43/79/1386604379.db2.gz RILWJDFOBUKJLF-MSOLQXFVSA-N 2 0 345.547 3.367 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC001179850841 1386607767 /nfs/dbraw/zinc/60/77/67/1386607767.db2.gz NWKBZLCWOKYFLJ-SFHVURJKSA-N 2 0 333.520 3.356 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001320474852 1386620625 /nfs/dbraw/zinc/62/06/25/1386620625.db2.gz BKQLUNMWFPHISI-ROUUACIJSA-N 2 0 343.515 3.169 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180060933 1386683550 /nfs/dbraw/zinc/68/35/50/1386683550.db2.gz USQYEYJLDVIMFG-OALUTQOASA-N 2 0 339.568 3.277 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180060934 1386683596 /nfs/dbraw/zinc/68/35/96/1386683596.db2.gz USQYEYJLDVIMFG-RBUKOAKNSA-N 2 0 339.568 3.277 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001180065726 1386685092 /nfs/dbraw/zinc/68/50/92/1386685092.db2.gz ZUTFZEXVKSTYEA-RBUKOAKNSA-N 2 0 345.531 3.356 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001180068253 1386686723 /nfs/dbraw/zinc/68/67/23/1386686723.db2.gz CXPUSKGXHYWSQG-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001180100236 1386697056 /nfs/dbraw/zinc/69/70/56/1386697056.db2.gz DYJXEACWTIYOQU-UHFFFAOYSA-N 2 0 339.549 3.246 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001180121112 1386703141 /nfs/dbraw/zinc/70/31/41/1386703141.db2.gz IMXICRUIFGBNDU-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001180123196 1386704229 /nfs/dbraw/zinc/70/42/29/1386704229.db2.gz AGACIBHYDPFRIP-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001180124490 1386704503 /nfs/dbraw/zinc/70/45/03/1386704503.db2.gz YAYSOUDZAPGSAQ-GOSISDBHSA-N 2 0 333.520 3.356 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)CC1 ZINC001180142378 1386711704 /nfs/dbraw/zinc/71/17/04/1386711704.db2.gz NYWYBLIAAXNHMC-RBUKOAKNSA-N 2 0 329.532 3.313 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)c(C)c1 ZINC001180221588 1386737771 /nfs/dbraw/zinc/73/77/71/1386737771.db2.gz ATCRZHYBIKBSOX-ICSRJNTNSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC001180264964 1386750525 /nfs/dbraw/zinc/75/05/25/1386750525.db2.gz LQKVCILMGNIAEI-SJLPKXTDSA-N 2 0 349.494 3.105 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001180369647 1386776989 /nfs/dbraw/zinc/77/69/89/1386776989.db2.gz QJHWHFOSUKRZRK-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001180372865 1386777939 /nfs/dbraw/zinc/77/79/39/1386777939.db2.gz JOUVWUADNKNQCW-FVNWOWOISA-N 2 0 343.943 3.126 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001180389909 1386782167 /nfs/dbraw/zinc/78/21/67/1386782167.db2.gz GBCYWUSFIGFTCU-FQEVSTJZSA-N 2 0 343.515 3.310 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321069245 1386799262 /nfs/dbraw/zinc/79/92/62/1386799262.db2.gz AFIXFEDHHGHYPM-QGZVFWFLSA-N 2 0 326.488 3.441 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)c2)CC1 ZINC001321267080 1386860914 /nfs/dbraw/zinc/86/09/14/1386860914.db2.gz HSLFKZHZDMUHAO-RTWAWAEBSA-N 2 0 347.522 3.442 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181440458 1386994652 /nfs/dbraw/zinc/99/46/52/1386994652.db2.gz GPUUWCYGRGMKAQ-YCIUYBBHSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001181477332 1387001307 /nfs/dbraw/zinc/00/13/07/1387001307.db2.gz WDRJBUXQYCQXMM-DYESRHJHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182124855 1387108125 /nfs/dbraw/zinc/10/81/25/1387108125.db2.gz FDNWKZMHQSBXQH-OXQOHEQNSA-N 2 0 342.487 3.212 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC001322845625 1387245647 /nfs/dbraw/zinc/24/56/47/1387245647.db2.gz INCQHHWWLDRGNU-UHFFFAOYSA-N 2 0 345.362 3.483 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001182977567 1387252695 /nfs/dbraw/zinc/25/26/95/1387252695.db2.gz BBBRLMRJBRARNI-RTVDBWQISA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329462806 1389119202 /nfs/dbraw/zinc/11/92/02/1389119202.db2.gz ZUFWZSZBBDDUPN-VQIMIIECSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336778705 1389167558 /nfs/dbraw/zinc/16/75/58/1389167558.db2.gz AGEAHDJSAHHFQQ-WIYYLYMNSA-N 2 0 340.511 3.453 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336785652 1389169108 /nfs/dbraw/zinc/16/91/08/1389169108.db2.gz QRQQKRIJLNRAOT-CZUORRHYSA-N 2 0 344.421 3.449 20 0 EGADRP Cc1cccc(C[N@H+]2CCCCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001329939418 1389267583 /nfs/dbraw/zinc/26/75/83/1389267583.db2.gz UDXFTYZMIWRLCG-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC001330007308 1389284062 /nfs/dbraw/zinc/28/40/62/1389284062.db2.gz CCYVEIRMNDNFOL-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H](C)C[C@@H]2n2cncn2)CC1 ZINC001330354868 1389396369 /nfs/dbraw/zinc/39/63/69/1389396369.db2.gz QEYVVHGUKIRFKG-NEWSRXKRSA-N 2 0 333.524 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2c(C)cccc2C)CC1 ZINC001331068224 1389617969 /nfs/dbraw/zinc/61/79/69/1389617969.db2.gz FJCUWSZGIYGPCS-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CC1CC(C)C1 ZINC001331517819 1389779905 /nfs/dbraw/zinc/77/99/05/1389779905.db2.gz RPZIZEXKPUFSEZ-ADKAHSJRSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001698750530 1406401523 /nfs/dbraw/zinc/40/15/23/1406401523.db2.gz YTUUXAPXPZXHMO-FXAWDEMLSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001331969512 1389929252 /nfs/dbraw/zinc/92/92/52/1389929252.db2.gz ASMQKXQOPKGALE-GOSISDBHSA-N 2 0 326.488 3.164 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001332292654 1390078159 /nfs/dbraw/zinc/07/81/59/1390078159.db2.gz NFBSYPLLUKZHGT-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP c1cnc(Oc2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)cn1 ZINC001332357617 1390095486 /nfs/dbraw/zinc/09/54/86/1390095486.db2.gz BDGIKNVVNPITJT-UHFFFAOYSA-N 2 0 338.455 3.235 20 0 EGADRP C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC001340049078 1390215770 /nfs/dbraw/zinc/21/57/70/1390215770.db2.gz LSTAZNFZNUSYMK-IRXDYDNUSA-N 2 0 331.504 3.047 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001340105966 1390227406 /nfs/dbraw/zinc/22/74/06/1390227406.db2.gz PZIMCJWHKNVGNL-VKJFTORMSA-N 2 0 337.533 3.011 20 0 EGADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001340138378 1390234662 /nfs/dbraw/zinc/23/46/62/1390234662.db2.gz GJQFNIWEHJQRND-KCQAQPDRSA-N 2 0 338.521 3.077 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CCCCC2CC[NH2+]CC2)C1 ZINC001340173967 1390242171 /nfs/dbraw/zinc/24/21/71/1390242171.db2.gz VXGYCKJOFFDFEO-SFHVURJKSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC001340774247 1390364200 /nfs/dbraw/zinc/36/42/00/1390364200.db2.gz MELHIFJQGCPPMU-AEFFLSMTSA-N 2 0 325.541 3.158 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]1CCCCC12CC[NH2+]CC2)C1CCCCC1 ZINC001340810016 1390373816 /nfs/dbraw/zinc/37/38/16/1390373816.db2.gz UDQNSXLOIDWRMZ-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335430099 1390683663 /nfs/dbraw/zinc/68/36/63/1390683663.db2.gz KTHUQTPSIBLHAP-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC001343019623 1390684534 /nfs/dbraw/zinc/68/45/34/1390684534.db2.gz KJOYBQAZFQJDBN-UHFFFAOYSA-N 2 0 347.503 3.287 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343333052 1390707586 /nfs/dbraw/zinc/70/75/86/1390707586.db2.gz MGKGPYWCJVUAAY-KSZLIROESA-N 2 0 332.536 3.417 20 0 EGADRP COC(=O)c1cccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC001344440430 1390791341 /nfs/dbraw/zinc/79/13/41/1390791341.db2.gz RYSWIBZDPDTUMT-UHFFFAOYSA-N 2 0 330.472 3.360 20 0 EGADRP CC(C)(C)OC(=O)NCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC001345120636 1390838921 /nfs/dbraw/zinc/83/89/21/1390838921.db2.gz FZTLVWKMCMUJMR-ZXFUBFMLSA-N 2 0 337.508 3.039 20 0 EGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001345955103 1390897117 /nfs/dbraw/zinc/89/71/17/1390897117.db2.gz BAYLJOBCUWCUAJ-MRXNPFEDSA-N 2 0 334.479 3.479 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001486423953 1391007007 /nfs/dbraw/zinc/00/70/07/1391007007.db2.gz KJZDWCVENADPNR-LJQANCHMSA-N 2 0 345.531 3.183 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349325687 1391321058 /nfs/dbraw/zinc/32/10/58/1391321058.db2.gz PWXDTQFFNBAJMH-UHFFFAOYSA-N 2 0 331.479 3.392 20 0 EGADRP CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001479383140 1392230301 /nfs/dbraw/zinc/23/03/01/1392230301.db2.gz ORXRKUNLGIRLLG-NZKYNAJMSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698861266 1406571614 /nfs/dbraw/zinc/57/16/14/1406571614.db2.gz OBVDMUQUJSKQCH-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)C2)cc1 ZINC001480706036 1392868859 /nfs/dbraw/zinc/86/88/59/1392868859.db2.gz YGGDHKUAVMDTRP-XYFLWFSWSA-N 2 0 349.906 3.131 20 0 EGADRP C[NH+](CC1CCC1)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480731221 1392893326 /nfs/dbraw/zinc/89/33/26/1392893326.db2.gz SELZIYBFKCTQRK-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+](CC/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480982750 1393066514 /nfs/dbraw/zinc/06/65/14/1393066514.db2.gz GHXFYTRBALAXSV-HEFNWKINSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001481333182 1393165632 /nfs/dbraw/zinc/16/56/32/1393165632.db2.gz BMPNLLZRPPRBIF-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001698882686 1406613543 /nfs/dbraw/zinc/61/35/43/1406613543.db2.gz HFJOLECEKPMXJH-GOSISDBHSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001698890543 1406622934 /nfs/dbraw/zinc/62/29/34/1406622934.db2.gz JWQHQYJXHBZCSC-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](C/C=C\c2ccccc2)C1 ZINC001490456349 1394234543 /nfs/dbraw/zinc/23/45/43/1394234543.db2.gz AKTILVDHKIAFNM-QRGKHIHXSA-N 2 0 343.515 3.012 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](CCC)C1 ZINC001481402622 1394251619 /nfs/dbraw/zinc/25/16/19/1394251619.db2.gz AOYNRVGTVDWAGM-LJQANCHMSA-N 2 0 337.552 3.364 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001490777718 1394341224 /nfs/dbraw/zinc/34/12/24/1394341224.db2.gz RITHFCIAFWLYDB-FQEVSTJZSA-N 2 0 345.531 3.007 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481528562 1394382208 /nfs/dbraw/zinc/38/22/08/1394382208.db2.gz UNIPYOWNEMIZFE-IEBWSBKVSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001491370832 1394513814 /nfs/dbraw/zinc/51/38/14/1394513814.db2.gz CDRFHPOLSBJXDS-JCYILVPMSA-N 2 0 325.541 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CC[NH+](C)CC3CC3)CC2)C1 ZINC001698954626 1406700157 /nfs/dbraw/zinc/70/01/57/1406700157.db2.gz ZYYZXOUSORLHAK-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](C(=O)NCCC1CC[NH+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001482049199 1394712159 /nfs/dbraw/zinc/71/21/59/1394712159.db2.gz UDTFGDRJTBVREK-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH2+]CCC3CC3)CCCC2)cc1 ZINC001482232855 1394827540 /nfs/dbraw/zinc/82/75/40/1394827540.db2.gz VIGGVBBLINKTEH-UHFFFAOYSA-N 2 0 343.515 3.181 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482366475 1394928626 /nfs/dbraw/zinc/92/86/26/1394928626.db2.gz AMOKVGZTTQODII-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCCC1 ZINC001482407753 1394972010 /nfs/dbraw/zinc/97/20/10/1394972010.db2.gz IHJXLMOWCJSZKO-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001482475317 1395029466 /nfs/dbraw/zinc/02/94/66/1395029466.db2.gz IIADQMGQGXVFLD-PXNSSMCTSA-N 2 0 345.531 3.031 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001483915676 1395143659 /nfs/dbraw/zinc/14/36/59/1395143659.db2.gz HOMBSMADLNPRTN-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001484389121 1395356293 /nfs/dbraw/zinc/35/62/93/1395356293.db2.gz XAPKRUJUUOMVKT-REPLKXPHSA-N 2 0 349.563 3.410 20 0 EGADRP CCc1ccccc1C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001484981451 1395622088 /nfs/dbraw/zinc/62/20/88/1395622088.db2.gz OBFACZAWNHSYIX-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCCC[C@H](C[NH2+]CC1CCC1)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001485465191 1395939803 /nfs/dbraw/zinc/93/98/03/1395939803.db2.gz HTVQQLFPUHHYHY-QGZVFWFLSA-N 2 0 342.487 3.321 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+]2CCCC(C)(C)C)CC1 ZINC001493139768 1396338214 /nfs/dbraw/zinc/33/82/14/1396338214.db2.gz LIVSCNSPGVEHCQ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001494863088 1396501394 /nfs/dbraw/zinc/50/13/94/1396501394.db2.gz LBIZMBJTHIUPCK-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001495494491 1396537737 /nfs/dbraw/zinc/53/77/37/1396537737.db2.gz CZNIFPCGIJHLKB-UHFFFAOYSA-N 2 0 333.520 3.026 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496181677 1396621256 /nfs/dbraw/zinc/62/12/56/1396621256.db2.gz FMRTZGLBIBHWGH-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1c(C)cccc1C ZINC001699010801 1406840919 /nfs/dbraw/zinc/84/09/19/1406840919.db2.gz GORXINUYYMVNRZ-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001498456489 1397003176 /nfs/dbraw/zinc/00/31/76/1397003176.db2.gz OIGVGNQQSXYJDG-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001498457739 1397006815 /nfs/dbraw/zinc/00/68/15/1397006815.db2.gz TWQZVLSIJLAXMH-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001689912100 1404205608 /nfs/dbraw/zinc/20/56/08/1404205608.db2.gz QDRMVMGGZWRUNT-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001690484134 1404600961 /nfs/dbraw/zinc/60/09/61/1404600961.db2.gz HKPQUIHDICPCHO-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001690752160 1404708993 /nfs/dbraw/zinc/70/89/93/1404708993.db2.gz ZNIOQCCLHCIMIA-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\Cl)C1)[NH+]1CCCCC1 ZINC001690772523 1404721475 /nfs/dbraw/zinc/72/14/75/1404721475.db2.gz UDTQEZMTDCDYCU-QUAUAXPMSA-N 2 0 341.927 3.020 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001690843027 1404772428 /nfs/dbraw/zinc/77/24/28/1404772428.db2.gz KKTNIWAFBNDSND-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001690971874 1404880278 /nfs/dbraw/zinc/88/02/78/1404880278.db2.gz DMRMSYDMWQXPHW-KRWDZBQOSA-N 2 0 345.531 3.261 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691146133 1405079379 /nfs/dbraw/zinc/07/93/79/1405079379.db2.gz OAONKZZQFHKGKH-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001691690319 1405425045 /nfs/dbraw/zinc/42/50/45/1405425045.db2.gz QYGQAEWECNGBHY-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)CC)C1 ZINC001691999320 1405714928 /nfs/dbraw/zinc/71/49/28/1405714928.db2.gz RWMSLNHGACFSAJ-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001692145390 1405798934 /nfs/dbraw/zinc/79/89/34/1405798934.db2.gz APWURHASAYIGJW-SFHVURJKSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1CC)[NH+](CC)CC ZINC001692204609 1405843417 /nfs/dbraw/zinc/84/34/17/1405843417.db2.gz WJVBWJVWPPGKDI-ZCNNSNEGSA-N 2 0 345.531 3.276 20 0 EGADRP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]C[C@H](C)CC(C)C ZINC001698604481 1406231269 /nfs/dbraw/zinc/23/12/69/1406231269.db2.gz OQWGYWXHOJMSLM-NVXWUHKLSA-N 2 0 344.503 3.423 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001732040821 1428269364 /nfs/dbraw/zinc/26/93/64/1428269364.db2.gz AHXSLSOLFVRTHA-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001732072645 1428321262 /nfs/dbraw/zinc/32/12/62/1428321262.db2.gz KMKJCOIXSLDFEI-OAHLLOKOSA-N 2 0 337.533 3.004 20 0 EGADRP CCC[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001732086900 1428348308 /nfs/dbraw/zinc/34/83/08/1428348308.db2.gz QXANVYNSIGUSLE-HXUWFJFHSA-N 2 0 345.531 3.260 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732090808 1428355916 /nfs/dbraw/zinc/35/59/16/1428355916.db2.gz ADLQSAKYMXBNMS-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001732233098 1428479906 /nfs/dbraw/zinc/47/99/06/1428479906.db2.gz KUBZRMJJBCJRDM-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001732330884 1428537494 /nfs/dbraw/zinc/53/74/94/1428537494.db2.gz RXFVWEVMVGGXDT-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699114379 1412516631 /nfs/dbraw/zinc/51/66/31/1412516631.db2.gz GIXATDIWVCLFBK-JXFKEZNVSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](C[N@H+](C)CC/C=C\c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699445915 1412779542 /nfs/dbraw/zinc/77/95/42/1412779542.db2.gz JABOZNIMYDRLEE-RUEYPURISA-N 2 0 343.515 3.011 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473873 1412860190 /nfs/dbraw/zinc/86/01/90/1412860190.db2.gz DRKBSRHPUHJNRV-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001699705466 1413121112 /nfs/dbraw/zinc/12/11/12/1413121112.db2.gz JAKYBHYVUFYDCZ-HXUWFJFHSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001699825900 1413251135 /nfs/dbraw/zinc/25/11/35/1413251135.db2.gz JZYWEWNYNSQAOG-FPOVZHCZSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001732548877 1428727963 /nfs/dbraw/zinc/72/79/63/1428727963.db2.gz GYASXFWZBACTNJ-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001700019473 1413466949 /nfs/dbraw/zinc/46/69/49/1413466949.db2.gz MJTIYOSWKBAOKL-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CCC3CCCCCC3)CCC2)CC1 ZINC001700137104 1413555387 /nfs/dbraw/zinc/55/53/87/1413555387.db2.gz UQBMKQFPFNQDMP-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001700178054 1413588831 /nfs/dbraw/zinc/58/88/31/1413588831.db2.gz VFECIVZHBLFTNC-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC1(C)C ZINC001700294642 1413754689 /nfs/dbraw/zinc/75/46/89/1413754689.db2.gz ZPFLZXZHSUSZIK-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCCCCC1 ZINC001700326288 1413796182 /nfs/dbraw/zinc/79/61/82/1413796182.db2.gz UQEIAVRLXBOOER-LNLFQRSKSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001700487724 1414136272 /nfs/dbraw/zinc/13/62/72/1414136272.db2.gz NQZFCGKHSRPTPB-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001700528255 1414192723 /nfs/dbraw/zinc/19/27/23/1414192723.db2.gz CWUYFNXIWBMLMX-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001700537590 1414204874 /nfs/dbraw/zinc/20/48/74/1414204874.db2.gz FLEZVZPUONUUQN-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713062606 1417620307 /nfs/dbraw/zinc/62/03/07/1417620307.db2.gz GCHYHKGAGCYCHZ-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001713399500 1418019383 /nfs/dbraw/zinc/01/93/83/1418019383.db2.gz NZQDZWMSUWORTF-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCCC(C)(C)C ZINC001713469255 1418135457 /nfs/dbraw/zinc/13/54/57/1418135457.db2.gz FHJGJUGLVVZDSF-KRWDZBQOSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713515550 1418251101 /nfs/dbraw/zinc/25/11/01/1418251101.db2.gz WXBPAZLVBOBPQN-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713719769 1418490637 /nfs/dbraw/zinc/49/06/37/1418490637.db2.gz HGLLXXLGXLJLHJ-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713929361 1418720386 /nfs/dbraw/zinc/72/03/86/1418720386.db2.gz PXCYCPYOINRAAF-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001714078526 1418872992 /nfs/dbraw/zinc/87/29/92/1418872992.db2.gz CYBYMTGETGZSIN-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001714138602 1418941589 /nfs/dbraw/zinc/94/15/89/1418941589.db2.gz PRQCZNSKUQMNDF-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714155092 1418964263 /nfs/dbraw/zinc/96/42/63/1418964263.db2.gz DAZMPAAQRBWJNI-OALUTQOASA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001714523599 1419249577 /nfs/dbraw/zinc/24/95/77/1419249577.db2.gz OHIFOTLHAFNXKU-SFHVURJKSA-N 2 0 343.515 3.014 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001714572307 1419305924 /nfs/dbraw/zinc/30/59/24/1419305924.db2.gz NZCABLKENJFUAR-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714616365 1419378737 /nfs/dbraw/zinc/37/87/37/1419378737.db2.gz HRTNPQPXANGNTM-UYAOXDASSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC001714743233 1419490271 /nfs/dbraw/zinc/49/02/71/1419490271.db2.gz LCXOXKQOEGNWSA-DLBZAZTESA-N 2 0 345.531 3.015 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715020851 1419751653 /nfs/dbraw/zinc/75/16/53/1419751653.db2.gz MNNLDULRFAPBNO-HKUYNNGSSA-N 2 0 343.515 3.073 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)CCCCC1 ZINC001715185268 1419918318 /nfs/dbraw/zinc/91/83/18/1419918318.db2.gz KMSFZHMNMIPCCX-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001715422349 1420114474 /nfs/dbraw/zinc/11/44/74/1420114474.db2.gz PLFOGZDDMZWZPO-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715453718 1420136066 /nfs/dbraw/zinc/13/60/66/1420136066.db2.gz BNVIUSMJZQLPEU-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)cc1C ZINC001715489125 1420170314 /nfs/dbraw/zinc/17/03/14/1420170314.db2.gz DENONPJHUQNCTI-FQEVSTJZSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001716424722 1420651931 /nfs/dbraw/zinc/65/19/31/1420651931.db2.gz REFIZDZIBFTWRV-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001733267761 1429428215 /nfs/dbraw/zinc/42/82/15/1429428215.db2.gz COYNXTFKFMGEMS-CTXDPNEZSA-N 2 0 349.563 3.409 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)cc1C ZINC001716494944 1420718573 /nfs/dbraw/zinc/71/85/73/1420718573.db2.gz CMECYSJPDUISFJ-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001716502224 1420729889 /nfs/dbraw/zinc/72/98/89/1420729889.db2.gz NUYYDTHBBMRGPW-QZTJIDSGSA-N 2 0 345.531 3.305 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001716514578 1420744539 /nfs/dbraw/zinc/74/45/39/1420744539.db2.gz NMSRINCTWOMXNL-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC1CC(C[N@H+](CC2CC2)C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001716715072 1420870834 /nfs/dbraw/zinc/87/08/34/1420870834.db2.gz KNHMKPINUKWTAP-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001716715213 1420871141 /nfs/dbraw/zinc/87/11/41/1420871141.db2.gz PEANDEAEXKIOCI-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001717158900 1421148513 /nfs/dbraw/zinc/14/85/13/1421148513.db2.gz MWMUCSQLMAMBOJ-LJQANCHMSA-N 2 0 343.515 3.078 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001717197396 1421163747 /nfs/dbraw/zinc/16/37/47/1421163747.db2.gz YCWRGVPJAGMSDW-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717206381 1421176947 /nfs/dbraw/zinc/17/69/47/1421176947.db2.gz IMLJOUKAXJVRSA-FQEVSTJZSA-N 2 0 345.531 3.148 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001717212557 1421187203 /nfs/dbraw/zinc/18/72/03/1421187203.db2.gz YKLOXOZKUOLDTC-OALUTQOASA-N 2 0 345.531 3.178 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](C(C)C)C1 ZINC001717217240 1421195735 /nfs/dbraw/zinc/19/57/35/1421195735.db2.gz PJNBUNZLLUFJII-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)CC1(C)C ZINC001717312340 1421257535 /nfs/dbraw/zinc/25/75/35/1421257535.db2.gz RZCSZSDVZHPJGS-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(C)c2)CC1(C)C ZINC001717312341 1421257622 /nfs/dbraw/zinc/25/76/22/1421257622.db2.gz RZCSZSDVZHPJGS-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717371313 1421310591 /nfs/dbraw/zinc/31/05/91/1421310591.db2.gz OBSVZLZJIYOMRG-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001717749169 1421611609 /nfs/dbraw/zinc/61/16/09/1421611609.db2.gz XQJPRPMQSCEMHT-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC001722904624 1424230212 /nfs/dbraw/zinc/23/02/12/1424230212.db2.gz KALIFCLOIVQMLX-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCCC1 ZINC001723640943 1424508499 /nfs/dbraw/zinc/50/84/99/1424508499.db2.gz NMNXOFNZPGHYLY-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001724328663 1424816343 /nfs/dbraw/zinc/81/63/43/1424816343.db2.gz MBGVCFCJJPXBTK-NRFANRHFSA-N 2 0 345.531 3.031 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001733569128 1429772018 /nfs/dbraw/zinc/77/20/18/1429772018.db2.gz FFMCRCCOCLVHEO-QWFCFKBJSA-N 2 0 345.531 3.212 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CCCC3CCCC3)CC2)CC1 ZINC001724840469 1425189967 /nfs/dbraw/zinc/18/99/67/1425189967.db2.gz FQVUCPPSFDACGC-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724865257 1425248074 /nfs/dbraw/zinc/24/80/74/1425248074.db2.gz CXOUBUSVSVUFES-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001724868828 1425251731 /nfs/dbraw/zinc/25/17/31/1425251731.db2.gz RECNNRXRODJSTE-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001725000904 1425409425 /nfs/dbraw/zinc/40/94/25/1425409425.db2.gz UZIUEFJBZSAECX-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001725010538 1425423231 /nfs/dbraw/zinc/42/32/31/1425423231.db2.gz JHTCNRNLCPGONE-IRXDYDNUSA-N 2 0 345.531 3.061 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001725588939 1426245185 /nfs/dbraw/zinc/24/51/85/1426245185.db2.gz QZDJQGPHMNOSDL-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CCCCCC1 ZINC001725623131 1426288592 /nfs/dbraw/zinc/28/85/92/1426288592.db2.gz ILXWOEBSXUJMHC-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CCCCCC1 ZINC001725623129 1426289146 /nfs/dbraw/zinc/28/91/46/1426289146.db2.gz ILXWOEBSXUJMHC-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cc(C)cc(C)c1)C(C)(C)C)[NH+](C)C ZINC001725749867 1426428713 /nfs/dbraw/zinc/42/87/13/1426428713.db2.gz CXHSEQGMCXOOBC-RBUKOAKNSA-N 2 0 347.547 3.264 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C ZINC001725753325 1426432296 /nfs/dbraw/zinc/43/22/96/1426432296.db2.gz DDAFZMNLDBFQQF-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731457192 1427433378 /nfs/dbraw/zinc/43/33/78/1427433378.db2.gz KXQBTAZPXDRRMX-NCXUSEDFSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731558751 1427590386 /nfs/dbraw/zinc/59/03/86/1427590386.db2.gz LSCCRCGBJQJUQP-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001731639093 1427696372 /nfs/dbraw/zinc/69/63/72/1427696372.db2.gz GONMRTZFXNWLFZ-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001731786336 1427919517 /nfs/dbraw/zinc/91/95/17/1427919517.db2.gz QHNVFWUPMPZHAE-PMACEKPBSA-N 2 0 345.531 3.449 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001733689298 1429905316 /nfs/dbraw/zinc/90/53/16/1429905316.db2.gz ALKCCHMUNFMRRA-BHIYHBOVSA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001733689301 1429905780 /nfs/dbraw/zinc/90/57/80/1429905780.db2.gz ALKCCHMUNFMRRA-WDSOQIARSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001733770432 1430000957 /nfs/dbraw/zinc/00/09/57/1430000957.db2.gz RRVBJAPWTNRTIM-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001733906066 1437723917 /nfs/dbraw/zinc/72/39/17/1437723917.db2.gz SSQCRNSWKVEZBN-VBQJREDUSA-N 2 0 339.911 3.226 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC3CCC3)C2)CC1 ZINC001733941344 1437757928 /nfs/dbraw/zinc/75/79/28/1437757928.db2.gz IPTJQEIITNMBRE-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cc(C)cc(C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001734053639 1437844076 /nfs/dbraw/zinc/84/40/76/1437844076.db2.gz PHPAAGAKGYEUHY-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001734351251 1438069340 /nfs/dbraw/zinc/06/93/40/1438069340.db2.gz AEKIKFXZYITKEA-FXAWDEMLSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CCCCCC2)C[C@@H]1C ZINC001734430551 1438094453 /nfs/dbraw/zinc/09/44/53/1438094453.db2.gz WKFJXACQGPTCDD-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001752073628 1440138014 /nfs/dbraw/zinc/13/80/14/1440138014.db2.gz RMGSIKXAYKTVAT-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)cs1 ZINC001752075600 1440138385 /nfs/dbraw/zinc/13/83/85/1440138385.db2.gz GFLCAAUCWUCUNJ-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001752078202 1440138640 /nfs/dbraw/zinc/13/86/40/1440138640.db2.gz QNAUHEZMIRMVJJ-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccccc1 ZINC001752159013 1440148175 /nfs/dbraw/zinc/14/81/75/1440148175.db2.gz YIPQGEXTWNHFST-ICSRJNTNSA-N 2 0 345.531 3.278 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001752160225 1440148949 /nfs/dbraw/zinc/14/89/49/1440148949.db2.gz ZKEOFPQDULFIRZ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC1CC(C)C1 ZINC001752215385 1440155966 /nfs/dbraw/zinc/15/59/66/1440155966.db2.gz NVVLBLQCNYJYOR-XBMUEBEBSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001752232158 1440158632 /nfs/dbraw/zinc/15/86/32/1440158632.db2.gz WCKSYRLONOFZRX-OALUTQOASA-N 2 0 345.531 3.144 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001752301724 1440167884 /nfs/dbraw/zinc/16/78/84/1440167884.db2.gz QFKZBFBQZBXRRA-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001752308650 1440169157 /nfs/dbraw/zinc/16/91/57/1440169157.db2.gz QLIOQQNZLGTQAD-UHFFFAOYSA-N 2 0 335.536 3.142 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001752439502 1440180921 /nfs/dbraw/zinc/18/09/21/1440180921.db2.gz ITSWCDICDMUVHF-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP CCCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001752441223 1440181311 /nfs/dbraw/zinc/18/13/11/1440181311.db2.gz BXDBEWQZLRLZAG-UHFFFAOYSA-N 2 0 339.568 3.467 20 0 EGADRP CCCN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001752441250 1440181367 /nfs/dbraw/zinc/18/13/67/1440181367.db2.gz CEZMCXSFKIUSDA-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001752515154 1440190854 /nfs/dbraw/zinc/19/08/54/1440190854.db2.gz XCWFMFHQGSWHFA-SLVIYJBESA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001752679627 1440199296 /nfs/dbraw/zinc/19/92/96/1440199296.db2.gz APILNSUMABQIQR-GUDVDZBRSA-N 2 0 345.531 3.333 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC(C)C ZINC001752702768 1440201760 /nfs/dbraw/zinc/20/17/60/1440201760.db2.gz NDABTJHOPWWMFJ-MVCQKVDPSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752706774 1440202706 /nfs/dbraw/zinc/20/27/06/1440202706.db2.gz RFWQFRHEOVDGDD-QUCCMNQESA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001752708146 1440203011 /nfs/dbraw/zinc/20/30/11/1440203011.db2.gz RMDVLKQAPIBKIR-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001752775179 1440206661 /nfs/dbraw/zinc/20/66/61/1440206661.db2.gz GXYHOXNZYTXQQX-BGYRXZFFSA-N 2 0 343.515 3.031 20 0 EGADRP CC/C=C/CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001752784115 1440210162 /nfs/dbraw/zinc/21/01/62/1440210162.db2.gz WCPSJTVFGCBCJV-ASIGSXEYSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752785558 1440211254 /nfs/dbraw/zinc/21/12/54/1440211254.db2.gz XNHFMSQRUBQLTP-OOFWQKGWSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752800013 1440214856 /nfs/dbraw/zinc/21/48/56/1440214856.db2.gz OPZJOTHKVXWLQM-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001752828908 1440224830 /nfs/dbraw/zinc/22/48/30/1440224830.db2.gz KJZQICVOVAVLDB-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752839233 1440229601 /nfs/dbraw/zinc/22/96/01/1440229601.db2.gz CRIHCWWHAFPPGY-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001752842352 1440231225 /nfs/dbraw/zinc/23/12/25/1440231225.db2.gz YSUGAXDZTWDUHJ-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001752920462 1440248468 /nfs/dbraw/zinc/24/84/68/1440248468.db2.gz BSCQJHOIXMEDSA-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752983654 1440257676 /nfs/dbraw/zinc/25/76/76/1440257676.db2.gz NAKSMTLSZZMTIC-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CC1CCC2(CC2)CC1 ZINC001753094771 1440301987 /nfs/dbraw/zinc/30/19/87/1440301987.db2.gz IKDBNUFPXZPPIG-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753105899 1440306375 /nfs/dbraw/zinc/30/63/75/1440306375.db2.gz JUDGSKNDFJXVPH-RTBURBONSA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001753115901 1440311363 /nfs/dbraw/zinc/31/13/63/1440311363.db2.gz IMTZPACYYSSSFS-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C)cc1C ZINC001753117004 1440311751 /nfs/dbraw/zinc/31/17/51/1440311751.db2.gz TYSWTVCQHBKLRM-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753222726 1440340195 /nfs/dbraw/zinc/34/01/95/1440340195.db2.gz KZRZNWSBFIJOAH-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001753277634 1440346584 /nfs/dbraw/zinc/34/65/84/1440346584.db2.gz NRETYPLFRCDSGT-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001753287188 1440349186 /nfs/dbraw/zinc/34/91/86/1440349186.db2.gz NLZUCKLBMMIYIT-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC001753298464 1440353269 /nfs/dbraw/zinc/35/32/69/1440353269.db2.gz IDHPPOBKXSOJGD-QRQLOZEOSA-N 2 0 345.531 3.210 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C)(C)CC1 ZINC001753309956 1440356343 /nfs/dbraw/zinc/35/63/43/1440356343.db2.gz YAFOENIBAJDNJO-KDURUIRLSA-N 2 0 349.563 3.220 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001753320061 1440362667 /nfs/dbraw/zinc/36/26/67/1440362667.db2.gz SJWZMPHLKDYXJV-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CCC1 ZINC001753332171 1440370211 /nfs/dbraw/zinc/37/02/11/1440370211.db2.gz JJNJJXGXJPGWPO-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001753360093 1440382261 /nfs/dbraw/zinc/38/22/61/1440382261.db2.gz PYJKWIMPDPOXAE-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001753406356 1440391980 /nfs/dbraw/zinc/39/19/80/1440391980.db2.gz SIJVLGIBXSYHOH-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001753440191 1440401378 /nfs/dbraw/zinc/40/13/78/1440401378.db2.gz UYEABWDOGGGYNR-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444547 1440402980 /nfs/dbraw/zinc/40/29/80/1440402980.db2.gz SWJBCAOAYKQYGM-PKOBYXMFSA-N 2 0 345.531 3.258 20 0 EGADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1F ZINC001753473246 1440414564 /nfs/dbraw/zinc/41/45/64/1440414564.db2.gz GVVQDTAUDZOJJO-KRWDZBQOSA-N 2 0 349.494 3.075 20 0 EGADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CCCCC1 ZINC001753488727 1440418782 /nfs/dbraw/zinc/41/87/82/1440418782.db2.gz SDVNLUYHNHVSLJ-RTBURBONSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)=CC[NH2+]C[C@](C)(NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001753526652 1440429798 /nfs/dbraw/zinc/42/97/98/1440429798.db2.gz AERDXKUMXMTZFM-NRFANRHFSA-N 2 0 343.515 3.203 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]1(C[NH2+]Cc2ccccc2)CCCC[C@H]1C ZINC001753536035 1440432651 /nfs/dbraw/zinc/43/26/51/1440432651.db2.gz OPXUFXGHFYCHOS-NQIIRXRSSA-N 2 0 345.531 3.183 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001753587356 1440441724 /nfs/dbraw/zinc/44/17/24/1440441724.db2.gz SVXZOIIIOGWOEI-FCGDIQPGSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCC1CCCCCC1 ZINC001753618054 1440450118 /nfs/dbraw/zinc/45/01/18/1440450118.db2.gz DRMRYVMCGQBUQG-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1c(C(=O)N(C)[C@H](C)C[NH2+]CC2CCCCC2)ccc2c[nH+]cn21 ZINC001753700766 1440468352 /nfs/dbraw/zinc/46/83/52/1440468352.db2.gz KZCVQXFPYSHVME-OAHLLOKOSA-N 2 0 342.487 3.273 20 0 EGADRP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753704654 1440469252 /nfs/dbraw/zinc/46/92/52/1440469252.db2.gz HUHUOKLUVXVSSL-SFHVURJKSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753730099 1440475572 /nfs/dbraw/zinc/47/55/72/1440475572.db2.gz VAEGSTQBOBVENT-SJORKVTESA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001753736378 1440477839 /nfs/dbraw/zinc/47/78/39/1440477839.db2.gz LJFZTEIGQKYVAA-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001753755676 1440483043 /nfs/dbraw/zinc/48/30/43/1440483043.db2.gz VBQDGJJLLWNAFU-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001753787512 1440488296 /nfs/dbraw/zinc/48/82/96/1440488296.db2.gz GEWZAENVHWGKJR-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001753809340 1440492362 /nfs/dbraw/zinc/49/23/62/1440492362.db2.gz LVWSFLGROXXTKQ-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001753810915 1440492706 /nfs/dbraw/zinc/49/27/06/1440492706.db2.gz BZPLPMJXKWWSJU-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001753831120 1440499632 /nfs/dbraw/zinc/49/96/32/1440499632.db2.gz NFTBPNWRLKCZMR-RBUKOAKNSA-N 2 0 335.536 3.090 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754045547 1440535040 /nfs/dbraw/zinc/53/50/40/1440535040.db2.gz SPZJFBWCRADLHF-IEBWSBKVSA-N 2 0 331.504 3.059 20 0 EGADRP CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001754084924 1440540140 /nfs/dbraw/zinc/54/01/40/1440540140.db2.gz QFMBEPBFZMJXCI-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CCc1ccccc1C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001754084898 1440540154 /nfs/dbraw/zinc/54/01/54/1440540154.db2.gz PFTBEBGODAYDDU-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001754156689 1440545721 /nfs/dbraw/zinc/54/57/21/1440545721.db2.gz NEBLHPBGNMCSTK-OOFWQKGWSA-N 2 0 343.515 3.192 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754267243 1440560853 /nfs/dbraw/zinc/56/08/53/1440560853.db2.gz CODWOKQIYSEOGL-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001754270286 1440561369 /nfs/dbraw/zinc/56/13/69/1440561369.db2.gz VFWVEQCOGDMBEN-INIZCTEOSA-N 2 0 345.531 3.063 20 0 EGADRP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001754317429 1440576210 /nfs/dbraw/zinc/57/62/10/1440576210.db2.gz DBHQJUVHFVWNLZ-QGZVFWFLSA-N 2 0 347.547 3.277 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754329349 1440582555 /nfs/dbraw/zinc/58/25/55/1440582555.db2.gz ZWHNEUPRWQHGQL-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001754354177 1440591328 /nfs/dbraw/zinc/59/13/28/1440591328.db2.gz QZSUKYYCGVWCLF-VQTJNVASSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001754416726 1440596983 /nfs/dbraw/zinc/59/69/83/1440596983.db2.gz LHXFISWEWYAKOT-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1c(C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CC2)ccc2c[nH+]cn21 ZINC001754445999 1440600074 /nfs/dbraw/zinc/60/00/74/1440600074.db2.gz YDJKMRPPXXFEAY-GOSISDBHSA-N 2 0 342.487 3.177 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)[C@H](CC)C1 ZINC001754466794 1440604515 /nfs/dbraw/zinc/60/45/15/1440604515.db2.gz JCAHWGHSMRJHPU-WOJBJXKFSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1)[NH+]1CCCC1 ZINC001754521954 1440619898 /nfs/dbraw/zinc/61/98/98/1440619898.db2.gz XPVBBARECXRNOH-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001754540249 1440625974 /nfs/dbraw/zinc/62/59/74/1440625974.db2.gz XPQFZNTXKLYRIN-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754545103 1440627031 /nfs/dbraw/zinc/62/70/31/1440627031.db2.gz WCYDXYICGMJCLJ-YQQQUEKLSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754681574 1440662658 /nfs/dbraw/zinc/66/26/58/1440662658.db2.gz CSSDCYMNXXJAQO-HXUWFJFHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754686098 1440665047 /nfs/dbraw/zinc/66/50/47/1440665047.db2.gz YUGNZIVYOXTKGB-UYAOXDASSA-N 2 0 349.494 3.198 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@](C)(C[NH2+]CCC3CCCC3)C2)CC1 ZINC001754708422 1440669703 /nfs/dbraw/zinc/66/97/03/1440669703.db2.gz GZFAEJGSMGOKQQ-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001754721650 1440673461 /nfs/dbraw/zinc/67/34/61/1440673461.db2.gz WGNABEXATLYHLO-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001754733551 1440681134 /nfs/dbraw/zinc/68/11/34/1440681134.db2.gz MZQBFLRNHMDPMW-CTNGQTDRSA-N 2 0 345.531 3.308 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734266 1440681555 /nfs/dbraw/zinc/68/15/55/1440681555.db2.gz ULORVTXOHWRYTJ-XJDXJNMNSA-N 2 0 335.536 3.047 20 0 EGADRP CCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1CC ZINC001754784979 1440687349 /nfs/dbraw/zinc/68/73/49/1440687349.db2.gz GXCZKYLWVDJZIC-LJQANCHMSA-N 2 0 345.531 3.280 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001754801443 1440690424 /nfs/dbraw/zinc/69/04/24/1440690424.db2.gz PNXUWTZVXTZMFB-NVXWUHKLSA-N 2 0 342.487 3.129 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC001754865493 1440702695 /nfs/dbraw/zinc/70/26/95/1440702695.db2.gz MTKHGPOCEHKVIP-GBESFXJTSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001754944083 1440712425 /nfs/dbraw/zinc/71/24/25/1440712425.db2.gz BZSFGLDWOZPZEY-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001754952315 1440715221 /nfs/dbraw/zinc/71/52/21/1440715221.db2.gz YLWQRMDCRBJPKL-HPFJUIBNSA-N 2 0 349.563 3.480 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CCC2)C1 ZINC001754985085 1440722341 /nfs/dbraw/zinc/72/23/41/1440722341.db2.gz HTGQYFZOPCBLQS-LJQANCHMSA-N 2 0 347.547 3.237 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1 ZINC001754992598 1440724871 /nfs/dbraw/zinc/72/48/71/1440724871.db2.gz JGXYVOMVEFQCLC-QZTJIDSGSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755038074 1440735376 /nfs/dbraw/zinc/73/53/76/1440735376.db2.gz LXXYFDJXARTWJD-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001755068933 1440745902 /nfs/dbraw/zinc/74/59/02/1440745902.db2.gz IKFUDAXLCDTTAS-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755069951 1440746149 /nfs/dbraw/zinc/74/61/49/1440746149.db2.gz NCGGUDXVJSQNFN-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001755127108 1440756513 /nfs/dbraw/zinc/75/65/13/1440756513.db2.gz BPBWXOPOJXEKLQ-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001755134069 1440757662 /nfs/dbraw/zinc/75/76/62/1440757662.db2.gz MKAOVSNBFWRKSL-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001755136425 1440758380 /nfs/dbraw/zinc/75/83/80/1440758380.db2.gz YJDKPPIDPCAVBE-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001755168082 1440768148 /nfs/dbraw/zinc/76/81/48/1440768148.db2.gz WWTBCYLPSKNJTE-PVTFFILZSA-N 2 0 349.563 3.432 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755193612 1440775782 /nfs/dbraw/zinc/77/57/82/1440775782.db2.gz CLBZONZAIXVUHT-VOFKWLDRSA-N 2 0 347.547 3.284 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755197624 1440777737 /nfs/dbraw/zinc/77/77/37/1440777737.db2.gz YNDTXAVSRGMGLU-IPLHWJFFSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755201060 1440779683 /nfs/dbraw/zinc/77/96/83/1440779683.db2.gz OYXKTEHJPXROSJ-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccc(C)c(C[NH+](C)C[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001755202513 1440780879 /nfs/dbraw/zinc/78/08/79/1440780879.db2.gz HCARKCYORXZQKI-HXUWFJFHSA-N 2 0 345.531 3.066 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001755271642 1440797922 /nfs/dbraw/zinc/79/79/22/1440797922.db2.gz VDHWLNMSZUEMEL-MOPGFXCFSA-N 2 0 345.531 3.162 20 0 EGADRP CN(C(=O)C[N@H+](C)C1CCC1)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC001755275006 1440798798 /nfs/dbraw/zinc/79/87/98/1440798798.db2.gz OLZWBISRCIRGMF-UHFFFAOYSA-N 2 0 349.544 3.092 20 0 EGADRP CC[C@@H]([NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001755275478 1440798877 /nfs/dbraw/zinc/79/88/77/1440798877.db2.gz XWJYWLHMXHJLIC-SOAGJPPSSA-N 2 0 345.531 3.449 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001755323979 1440820331 /nfs/dbraw/zinc/82/03/31/1440820331.db2.gz YKPWIRXTVNCEIP-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1)[NH+]1CCCCC1 ZINC001755363577 1440833061 /nfs/dbraw/zinc/83/30/61/1440833061.db2.gz KSQGWIRNRYESNT-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001755367669 1440835762 /nfs/dbraw/zinc/83/57/62/1440835762.db2.gz HTTKOTBHCGKXSR-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001755368988 1440836619 /nfs/dbraw/zinc/83/66/19/1440836619.db2.gz YWUNMGRNTWSETK-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001755391420 1440842219 /nfs/dbraw/zinc/84/22/19/1440842219.db2.gz KBVFYZNHSKFRAX-SFHVURJKSA-N 2 0 347.547 3.189 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC001755411346 1440846592 /nfs/dbraw/zinc/84/65/92/1440846592.db2.gz JJOAWYKGXCKDQK-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001755414278 1440847957 /nfs/dbraw/zinc/84/79/57/1440847957.db2.gz SXARHOCTCBNWLI-NDZBKKTDSA-N 2 0 337.552 3.146 20 0 EGADRP C[C@H](CCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755507644 1440863183 /nfs/dbraw/zinc/86/31/83/1440863183.db2.gz UFUILNMMLVFCLQ-YONSBBCESA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001755552712 1440872597 /nfs/dbraw/zinc/87/25/97/1440872597.db2.gz XUOHCPUSJAWJBD-RBUKOAKNSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001755553131 1440872725 /nfs/dbraw/zinc/87/27/25/1440872725.db2.gz LSAPXIMTZRPRQY-UYAOXDASSA-N 2 0 345.531 3.272 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001755568962 1440876586 /nfs/dbraw/zinc/87/65/86/1440876586.db2.gz PAWXUMVNQROWIZ-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@H](C)c1ccccc1 ZINC001755593286 1440882050 /nfs/dbraw/zinc/88/20/50/1440882050.db2.gz VALMOIKUZAURHS-QZTJIDSGSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001755610893 1440887026 /nfs/dbraw/zinc/88/70/26/1440887026.db2.gz KMFBVXROXPJKKI-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C)cs1 ZINC001755667741 1440893757 /nfs/dbraw/zinc/89/37/57/1440893757.db2.gz ZLLLGVXKZMLXLA-SJLPKXTDSA-N 2 0 349.544 3.012 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001755691612 1440896793 /nfs/dbraw/zinc/89/67/93/1440896793.db2.gz ZOQWSOMGSLNRPH-MJIPRMEISA-N 2 0 349.563 3.432 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001755722005 1440907835 /nfs/dbraw/zinc/90/78/35/1440907835.db2.gz DNQKLVXKDTXWDH-IRXDYDNUSA-N 2 0 325.541 3.122 20 0 EGADRP CCc1ccccc1C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001755722765 1440908193 /nfs/dbraw/zinc/90/81/93/1440908193.db2.gz SYOZJAUVZCMMDF-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001755724494 1440908927 /nfs/dbraw/zinc/90/89/27/1440908927.db2.gz VXRRLKPDJQVLFY-YSKLNCTFSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC001755825455 1440927096 /nfs/dbraw/zinc/92/70/96/1440927096.db2.gz SVICSAOLLCSXDT-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CCC[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001755827515 1440927797 /nfs/dbraw/zinc/92/77/97/1440927797.db2.gz NGRGNPFZHIZJRF-INIZCTEOSA-N 2 0 325.541 3.170 20 0 EGADRP Cc1c(C(=O)N[C@H](C[NH2+]CCC2CC2)C(C)(C)C)ccc2c[nH+]cn21 ZINC001755827427 1440927801 /nfs/dbraw/zinc/92/78/01/1440927801.db2.gz LIOHPWFMAURYFD-GOSISDBHSA-N 2 0 342.487 3.177 20 0 EGADRP Nc1cccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164993187 722196065 /nfs/dbraw/zinc/19/60/65/722196065.db2.gz CIYKYEYLQJKNOI-IBGZPJMESA-N 2 0 326.419 3.048 20 0 EGADRP Cc1noc(C2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)CC2)n1 ZINC000368187043 168321593 /nfs/dbraw/zinc/32/15/93/168321593.db2.gz VPQQMSMHSITOLX-AOCRQIFASA-N 2 0 334.508 3.362 20 0 EGADRP C[C@H](c1ccccc1F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368332156 168343951 /nfs/dbraw/zinc/34/39/51/168343951.db2.gz MIFVBOOWDLKAKV-QGZVFWFLSA-N 2 0 333.495 3.236 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1 ZINC000154951060 529627251 /nfs/dbraw/zinc/62/72/51/529627251.db2.gz MOMURWMRHGQSRH-IBGZPJMESA-N 2 0 342.462 3.213 20 0 EGADRP C[NH+]1CCC(Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC000179619867 530050570 /nfs/dbraw/zinc/05/05/70/530050570.db2.gz KCKJWZQYSZDMHW-UHFFFAOYSA-N 2 0 344.503 3.007 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000178585252 232277122 /nfs/dbraw/zinc/27/71/22/232277122.db2.gz XPKGZJJKMLSELU-UHFFFAOYSA-N 2 0 344.503 3.230 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+]CCN3CCC([NH+](C)C)CC3)oc21 ZINC000181857903 234354139 /nfs/dbraw/zinc/35/41/39/234354139.db2.gz UYVBQMWDUFZQFM-OAHLLOKOSA-N 2 0 345.487 3.118 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131243959 283209023 /nfs/dbraw/zinc/20/90/23/283209023.db2.gz FPJRQBIAHBZKQC-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000130620654 223165599 /nfs/dbraw/zinc/16/55/99/223165599.db2.gz BOYSDTYQTQLOLU-UWJYYQICSA-N 2 0 342.483 3.320 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1C ZINC000130458042 223153999 /nfs/dbraw/zinc/15/39/99/223153999.db2.gz CILVYBLQYMCTDG-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000072955696 216331729 /nfs/dbraw/zinc/33/17/29/216331729.db2.gz KIHODMDSUOXBAI-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+]1CCCCCC1 ZINC000193406998 240153646 /nfs/dbraw/zinc/15/36/46/240153646.db2.gz QOSGTDBFNDKURH-UZLBHIALSA-N 2 0 339.483 3.220 20 0 EGADRP [NH3+]CC[C@@H]1CCCN(Cc2c(F)ccc(Br)c2F)C1 ZINC000230319782 242257123 /nfs/dbraw/zinc/25/71/23/242257123.db2.gz CYYVMSRATVIMRC-JTQLQIEISA-N 2 0 333.220 3.288 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236713968 242330663 /nfs/dbraw/zinc/33/06/63/242330663.db2.gz ANLVJQMPQKYVBF-XLIONFOSSA-N 2 0 345.531 3.197 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1 ZINC000236636302 242302062 /nfs/dbraw/zinc/30/20/62/242302062.db2.gz YURMLCQLNPWMHL-UHFFFAOYSA-N 2 0 329.488 3.247 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000262640439 245085362 /nfs/dbraw/zinc/08/53/62/245085362.db2.gz IYACNFMAWZUBFP-FQEVSTJZSA-N 2 0 339.483 3.151 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000264153357 246116743 /nfs/dbraw/zinc/11/67/43/246116743.db2.gz ZXIOJXMRGQATIE-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634814 169052440 /nfs/dbraw/zinc/05/24/40/169052440.db2.gz YTWSFGXQGNZPOK-GOSISDBHSA-N 2 0 341.499 3.342 20 0 EGADRP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000378429891 169119388 /nfs/dbraw/zinc/11/93/88/169119388.db2.gz LPUIAFHVAFOJNZ-DAYGRLMNSA-N 2 0 329.444 3.447 20 0 EGADRP CC[C@H](C)C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000093067020 218191861 /nfs/dbraw/zinc/19/18/61/218191861.db2.gz UJUXVYZOVPQEIB-KRWDZBQOSA-N 2 0 334.504 3.312 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093405166 218222539 /nfs/dbraw/zinc/22/25/39/218222539.db2.gz WKGRKNTVXCYBGG-ICSRJNTNSA-N 2 0 347.547 3.318 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000268755761 252205091 /nfs/dbraw/zinc/20/50/91/252205091.db2.gz LPQMBZWPXBBFSD-CZAAIQMYSA-N 2 0 342.458 3.359 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000268806935 252259653 /nfs/dbraw/zinc/25/96/53/252259653.db2.gz JIVOGDJOTLAQIC-UMVBOHGHSA-N 2 0 344.425 3.221 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000268797667 252250373 /nfs/dbraw/zinc/25/03/73/252250373.db2.gz GRZYNSDSIDQRKY-JKSUJKDBSA-N 2 0 344.503 3.351 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000268833789 252283795 /nfs/dbraw/zinc/28/37/95/252283795.db2.gz ARHYHVDERYEFPE-LEWJYISDSA-N 2 0 329.532 3.330 20 0 EGADRP Brc1cccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246084628 532969030 /nfs/dbraw/zinc/96/90/30/532969030.db2.gz ZDNMXYXVBBIIKN-CABCVRRESA-N 2 0 339.277 3.044 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000248072750 285273964 /nfs/dbraw/zinc/27/39/64/285273964.db2.gz MQIZFJNWHJYANY-HKUYNNGSSA-N 2 0 344.499 3.259 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)cc1 ZINC000337583737 285281050 /nfs/dbraw/zinc/28/10/50/285281050.db2.gz QBIGKRWQVVUNFR-FQEVSTJZSA-N 2 0 345.531 3.298 20 0 EGADRP O[C@H](C[NH2+][C@H]1CCCc2c3ccccc3sc21)C[NH+]1CCCC1 ZINC000360242400 285357198 /nfs/dbraw/zinc/35/71/98/285357198.db2.gz OIDRKZIFMJULTO-PBHICJAKSA-N 2 0 330.497 3.325 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC[NH2+]CC1 ZINC000237555613 141007969 /nfs/dbraw/zinc/00/79/69/141007969.db2.gz ZUJWIPPSXQNVOI-QYZOEREBSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246979315 141046793 /nfs/dbraw/zinc/04/67/93/141046793.db2.gz JYWAEDULMQJBFD-QFBILLFUSA-N 2 0 326.488 3.186 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000344486908 141164069 /nfs/dbraw/zinc/16/40/69/141164069.db2.gz RZDLYNLFKUPKMA-KRWDZBQOSA-N 2 0 328.456 3.428 20 0 EGADRP O[C@]1(CNCc2ccccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000344555954 141172473 /nfs/dbraw/zinc/17/24/73/141172473.db2.gz YLHITECUBASSSX-IBGZPJMESA-N 2 0 330.859 3.067 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1OC ZINC000347904542 141213047 /nfs/dbraw/zinc/21/30/47/141213047.db2.gz BNBWTNWIEYMQCD-PKOBYXMFSA-N 2 0 344.499 3.461 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000353449196 141298913 /nfs/dbraw/zinc/29/89/13/141298913.db2.gz PREYCAVSAPYDCU-UHFFFAOYSA-N 2 0 329.532 3.156 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH+](CC)CC)C1)[N@H+](C)Cc1ccccc1 ZINC000354572471 141308458 /nfs/dbraw/zinc/30/84/58/141308458.db2.gz IDYAWSCWTCSIHV-PMACEKPBSA-N 2 0 345.531 3.087 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000359619580 141387040 /nfs/dbraw/zinc/38/70/40/141387040.db2.gz KGCGUYQZURKBFR-KRWDZBQOSA-N 2 0 331.504 3.048 20 0 EGADRP Cc1nc(C)c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000172774628 144027710 /nfs/dbraw/zinc/02/77/10/144027710.db2.gz PIJHOSNNRJEHLF-OKILXGFUSA-N 2 0 337.533 3.081 20 0 EGADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000172857480 144030481 /nfs/dbraw/zinc/03/04/81/144030481.db2.gz XCAVNXLTZZSUEY-ZWKOTPCHSA-N 2 0 343.515 3.019 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]12 ZINC000351478912 144267253 /nfs/dbraw/zinc/26/72/53/144267253.db2.gz PWAPMIBTAAJSAE-MISYRCLQSA-N 2 0 335.451 3.108 20 0 EGADRP C[C@H](CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000351495400 144269242 /nfs/dbraw/zinc/26/92/42/144269242.db2.gz TWPUCQDHHRTAFF-MKXGPGLRSA-N 2 0 345.531 3.275 20 0 EGADRP CCCCN1CCCC[C@@H]1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341341782 155241880 /nfs/dbraw/zinc/24/18/80/155241880.db2.gz FQJPIIIGTNACGC-OAQYLSRUSA-N 2 0 344.547 3.290 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346552812 286198164 /nfs/dbraw/zinc/19/81/64/286198164.db2.gz JEUQXTVNUJIDBC-ICSRJNTNSA-N 2 0 345.462 3.257 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000121335650 152344206 /nfs/dbraw/zinc/34/42/06/152344206.db2.gz UQYJDSSEUQTNJE-GHTZIAJQSA-N 2 0 329.532 3.317 20 0 EGADRP CC(C)c1nn(-c2ccccc2)cc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000121707847 152366272 /nfs/dbraw/zinc/36/62/72/152366272.db2.gz YNEJDGVSVDBREQ-LPHOPBHVSA-N 2 0 326.488 3.426 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N2CCC(C)CC2)cc1 ZINC000341606206 155378871 /nfs/dbraw/zinc/37/88/71/155378871.db2.gz AOHMRPCECPKZIC-UHFFFAOYSA-N 2 0 346.519 3.163 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000353276424 286386391 /nfs/dbraw/zinc/38/63/91/286386391.db2.gz MAQJAZCSGLUTRA-FQEVSTJZSA-N 2 0 345.531 3.033 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000303471732 154046483 /nfs/dbraw/zinc/04/64/83/154046483.db2.gz NTJDKBNIFXNOMI-GOSISDBHSA-N 2 0 345.531 3.007 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000310068882 154139097 /nfs/dbraw/zinc/13/90/97/154139097.db2.gz CPRGLIIOIZLCOQ-UXHICEINSA-N 2 0 328.500 3.447 20 0 EGADRP CC(C)N1CCc2nc(C[NH2+][C@H]3CCC[C@H]3OC(F)F)sc2C1 ZINC000337289646 154261744 /nfs/dbraw/zinc/26/17/44/154261744.db2.gz LUUBECFRCXOAEM-WCQYABFASA-N 2 0 345.459 3.160 20 0 EGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000337415320 154342324 /nfs/dbraw/zinc/34/23/24/154342324.db2.gz YQJKZRIZHSBMFM-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000346994030 156235168 /nfs/dbraw/zinc/23/51/68/156235168.db2.gz BCRAAIIIMUCGNO-LEWJYISDSA-N 2 0 344.499 3.208 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc2[nH]ccc21 ZINC000349039489 156329607 /nfs/dbraw/zinc/32/96/07/156329607.db2.gz YJOBNSNSRREMPW-GOSISDBHSA-N 2 0 328.504 3.016 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000349056780 156337468 /nfs/dbraw/zinc/33/74/68/156337468.db2.gz LVWXJRQXXYYXIH-UXHICEINSA-N 2 0 343.515 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000349122577 156359447 /nfs/dbraw/zinc/35/94/47/156359447.db2.gz ZENPURMJMIMSKJ-DLBZAZTESA-N 2 0 337.533 3.122 20 0 EGADRP C[NH+]1CCC([C@@H]2CCN(Cc3ccc(Br)cn3)C2)CC1 ZINC000349135253 156363588 /nfs/dbraw/zinc/36/35/88/156363588.db2.gz YCCNKTKTKADBNN-CQSZACIVSA-N 2 0 338.293 3.008 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000349375851 289484615 /nfs/dbraw/zinc/48/46/15/289484615.db2.gz DJTQHCCRWVVQPF-YCPHGPKFSA-N 2 0 339.574 3.289 20 0 EGADRP Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000131370720 162399906 /nfs/dbraw/zinc/39/99/06/162399906.db2.gz GRVUQITZZMGXQL-PBHICJAKSA-N 2 0 333.863 3.062 20 0 EGADRP COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)c1 ZINC000248997119 163050631 /nfs/dbraw/zinc/05/06/31/163050631.db2.gz PIWLEYCOOLCDSP-SMLSOGCJSA-N 2 0 343.515 3.047 20 0 EGADRP COc1ccccc1[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000249059412 163053790 /nfs/dbraw/zinc/05/37/90/163053790.db2.gz ZOYALKMGWZNURV-AQDPXUSMSA-N 2 0 343.515 3.047 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000338439307 163226745 /nfs/dbraw/zinc/22/67/45/163226745.db2.gz XCQZYMWNPVWYIO-QGZVFWFLSA-N 2 0 326.488 3.217 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(F)c1 ZINC000344080623 164098863 /nfs/dbraw/zinc/09/88/63/164098863.db2.gz ORGCWJWDOKTBEP-GOSISDBHSA-N 2 0 331.435 3.402 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)ccn1 ZINC000344287364 164146630 /nfs/dbraw/zinc/14/66/30/164146630.db2.gz IOCQTJXWWYDSDC-LJQANCHMSA-N 2 0 343.446 3.328 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+](CC)CC ZINC000345792022 164266834 /nfs/dbraw/zinc/26/68/34/164266834.db2.gz GHOCBFUHWRDSDV-JKSUJKDBSA-N 2 0 337.533 3.122 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000345817179 164271045 /nfs/dbraw/zinc/27/10/45/164271045.db2.gz XCBZHZDXXPOHAJ-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000345936658 164299703 /nfs/dbraw/zinc/29/97/03/164299703.db2.gz ZBUWWENBPOPVAU-MSOLQXFVSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000346551107 164395113 /nfs/dbraw/zinc/39/51/13/164395113.db2.gz GWEZKPZRHREMGE-RXVVDRJESA-N 2 0 346.515 3.215 20 0 EGADRP CCOCc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OC ZINC000347051864 164438257 /nfs/dbraw/zinc/43/82/57/164438257.db2.gz RPWUFMPBVXLKBC-LJQANCHMSA-N 2 0 332.488 3.196 20 0 EGADRP C[C@@H](CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000354939800 166069825 /nfs/dbraw/zinc/06/98/25/166069825.db2.gz XIAVFQBXURDEGQ-KRWDZBQOSA-N 2 0 346.519 3.033 20 0 EGADRP CC[C@H]1C[C@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350263735 165024368 /nfs/dbraw/zinc/02/43/68/165024368.db2.gz JUUUMNSIOORRJE-QUCCMNQESA-N 2 0 331.504 3.435 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000350319812 165030166 /nfs/dbraw/zinc/03/01/66/165030166.db2.gz FWIZGHVJMJLVIE-HOCLYGCPSA-N 2 0 326.431 3.459 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350746084 165068349 /nfs/dbraw/zinc/06/83/49/165068349.db2.gz HVCNTWHMABSXJP-QGZVFWFLSA-N 2 0 347.478 3.126 20 0 EGADRP CC[C@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000354989778 166080836 /nfs/dbraw/zinc/08/08/36/166080836.db2.gz HXVXMSCHKMGFRI-LJQANCHMSA-N 2 0 331.504 3.240 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000350953829 165086134 /nfs/dbraw/zinc/08/61/34/165086134.db2.gz XAMJBLPNTNFCMO-HOTGVXAUSA-N 2 0 331.460 3.322 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000352012475 165192036 /nfs/dbraw/zinc/19/20/36/165192036.db2.gz FOAUAUDTSBQIMU-SJORKVTESA-N 2 0 331.504 3.082 20 0 EGADRP COCc1ccccc1/C=C(/C)C[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000352072501 165220538 /nfs/dbraw/zinc/22/05/38/165220538.db2.gz WTMGTSWJBSRGLP-NLFBCNDMSA-N 2 0 346.515 3.325 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352124135 165248069 /nfs/dbraw/zinc/24/80/69/165248069.db2.gz WADGBJWHHMAQPY-GTPINHCMSA-N 2 0 335.923 3.202 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000352135003 165251637 /nfs/dbraw/zinc/25/16/37/165251637.db2.gz MQEYVEHEHSRSAF-HXUWFJFHSA-N 2 0 345.531 3.455 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000353935064 165925224 /nfs/dbraw/zinc/92/52/24/165925224.db2.gz UMTCBMUDSPROGA-UHFFFAOYSA-N 2 0 332.488 3.350 20 0 EGADRP O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355389223 166182346 /nfs/dbraw/zinc/18/23/46/166182346.db2.gz VYGXTAMADHJSLR-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000355498027 166222461 /nfs/dbraw/zinc/22/24/61/166222461.db2.gz YTKCMLRUUGOECR-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000355661104 166277210 /nfs/dbraw/zinc/27/72/10/166277210.db2.gz RHLPNRCJTMXWBU-RYRKJORJSA-N 2 0 331.504 3.105 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NCc1cccc(C[NH+](C)C)c1)C(C)C ZINC000355789470 166310534 /nfs/dbraw/zinc/31/05/34/166310534.db2.gz QRPAUZRRPUNFIK-UHFFFAOYSA-N 2 0 348.535 3.008 20 0 EGADRP CC(C)n1ncc2cc(CN(CCC[NH3+])Cc3ccccc3)cnc21 ZINC000359458874 167162763 /nfs/dbraw/zinc/16/27/63/167162763.db2.gz RHPWULCKXOELIH-UHFFFAOYSA-N 2 0 337.471 3.363 20 0 EGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000366211150 168094515 /nfs/dbraw/zinc/09/45/15/168094515.db2.gz QMJGJJYXLUWRAX-PKOBYXMFSA-N 2 0 345.462 3.445 20 0 EGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000366211149 168094740 /nfs/dbraw/zinc/09/47/40/168094740.db2.gz QMJGJJYXLUWRAX-MJGOQNOKSA-N 2 0 345.462 3.445 20 0 EGADRP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000366246341 168097530 /nfs/dbraw/zinc/09/75/30/168097530.db2.gz DSLTXYMWXMLUKD-KRWDZBQOSA-N 2 0 335.455 3.294 20 0 EGADRP CC(C)c1nccn1CCC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366726210 168132960 /nfs/dbraw/zinc/13/29/60/168132960.db2.gz WGFPFPFBVZKUFT-SFHVURJKSA-N 2 0 346.519 3.310 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000367295057 168202658 /nfs/dbraw/zinc/20/26/58/168202658.db2.gz OHYMJPIUQCQIOF-IUPXNIOVSA-N 2 0 326.431 3.157 20 0 EGADRP C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000367439946 168225640 /nfs/dbraw/zinc/22/56/40/168225640.db2.gz YMGTVWULOMTVDW-INIZCTEOSA-N 3 0 342.487 3.011 20 0 EGADRP CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367658228 168255535 /nfs/dbraw/zinc/25/55/35/168255535.db2.gz JHVNAKKYTRDMGT-HXUWFJFHSA-N 2 0 345.531 3.074 20 0 EGADRP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000158428686 225013263 /nfs/dbraw/zinc/01/32/63/225013263.db2.gz XZCZPVVHYXQDCR-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000166740748 226168503 /nfs/dbraw/zinc/16/85/03/226168503.db2.gz SINLEMPKWMBUCH-HNAYVOBHSA-N 2 0 325.456 3.065 20 0 EGADRP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123239574 222241097 /nfs/dbraw/zinc/24/10/97/222241097.db2.gz HYBFITGECYEPRO-MRXNPFEDSA-N 2 0 347.503 3.076 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000124089949 222373787 /nfs/dbraw/zinc/37/37/87/222373787.db2.gz QOQVVJFNPHFCKV-FQEVSTJZSA-N 2 0 337.467 3.399 20 0 EGADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000168769335 264929234 /nfs/dbraw/zinc/92/92/34/264929234.db2.gz IPBJICYMUUFOEE-RBUKOAKNSA-N 2 0 347.503 3.253 20 0 EGADRP CCC(CC)(CNC(=O)[C@]1(C)CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000168758766 264929296 /nfs/dbraw/zinc/92/92/96/264929296.db2.gz TVZKAZQXWMXJEE-QFBILLFUSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634935 265332893 /nfs/dbraw/zinc/33/28/93/265332893.db2.gz BDGLXVHAJOKMPP-LVCYWYKZSA-N 3 0 329.532 3.217 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000187004054 265571063 /nfs/dbraw/zinc/57/10/63/265571063.db2.gz UFJXSAPZZFWESZ-RXVVDRJESA-N 2 0 329.532 3.452 20 0 EGADRP C[C@@H](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000194066318 266089032 /nfs/dbraw/zinc/08/90/32/266089032.db2.gz GRUXTGRPSZKFPS-MTFMMBMASA-N 2 0 328.500 3.444 20 0 EGADRP C[C@@H](CCc1ccccc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195466236 266183979 /nfs/dbraw/zinc/18/39/79/266183979.db2.gz AMKATZZEMWGNJV-PCCBWWKXSA-N 2 0 343.559 3.498 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3OC)[C@@H](C)C1 ZINC000268880268 266284971 /nfs/dbraw/zinc/28/49/71/266284971.db2.gz HYOODXOECHCIQK-VDGAXYAQSA-N 2 0 346.515 3.409 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCC2 ZINC000271575301 266689202 /nfs/dbraw/zinc/68/92/02/266689202.db2.gz ZGCCKNYNDIUBTN-QHAWAJNXSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@@H]([NH2+]CCc1nc2ccccc2n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273318844 267019413 /nfs/dbraw/zinc/01/94/13/267019413.db2.gz WDUIYBSHNAYGRC-SJORKVTESA-N 2 0 340.515 3.358 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000273405584 267034347 /nfs/dbraw/zinc/03/43/47/267034347.db2.gz WWFFWXYOXOPNFH-QGZVFWFLSA-N 2 0 325.456 3.010 20 0 EGADRP Cc1cncc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000274606317 267261408 /nfs/dbraw/zinc/26/14/08/267261408.db2.gz MLBIZYPRNXVZSS-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000274669088 267269731 /nfs/dbraw/zinc/26/97/31/267269731.db2.gz XFRNYMXGIBZFCY-HNAYVOBHSA-N 2 0 335.923 3.333 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275435841 267360772 /nfs/dbraw/zinc/36/07/72/267360772.db2.gz DRFNZUIBHRVSDG-WSWWRLHASA-N 2 0 342.527 3.365 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000278447373 268015126 /nfs/dbraw/zinc/01/51/26/268015126.db2.gz IBSYNIOOJIMUFF-QZTJIDSGSA-N 2 0 342.487 3.024 20 0 EGADRP COc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1OC(F)F ZINC000278481515 268022856 /nfs/dbraw/zinc/02/28/56/268022856.db2.gz JJGKFQCABSJQAJ-UHFFFAOYSA-N 2 0 340.414 3.261 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(Cl)c1OC ZINC000278484780 268024211 /nfs/dbraw/zinc/02/42/11/268024211.db2.gz KEZGEMWZAPRNFI-UHFFFAOYSA-N 2 0 338.879 3.321 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000278524597 268031998 /nfs/dbraw/zinc/03/19/98/268031998.db2.gz SRFZSNMRIAGYND-KRWDZBQOSA-N 2 0 343.515 3.485 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@H](C)C1 ZINC000090723356 275153352 /nfs/dbraw/zinc/15/33/52/275153352.db2.gz GVMPRCMYIYSIAG-UTKZUKDTSA-N 2 0 346.515 3.202 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000194882958 275229047 /nfs/dbraw/zinc/22/90/47/275229047.db2.gz ZSZXAHAWTOWUBZ-IRXDYDNUSA-N 2 0 335.561 3.333 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756010 275356644 /nfs/dbraw/zinc/35/66/44/275356644.db2.gz QWQRBXGWLRUVCB-RXVVDRJESA-N 2 0 326.484 3.017 20 0 EGADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284396378 275797552 /nfs/dbraw/zinc/79/75/52/275797552.db2.gz PMAAJSXTOMMYDX-RBUKOAKNSA-N 2 0 347.547 3.400 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000285497542 275882574 /nfs/dbraw/zinc/88/25/74/275882574.db2.gz CREWSTXWXOGGDW-UHFFFAOYSA-N 2 0 346.519 3.478 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150977146 275983703 /nfs/dbraw/zinc/98/37/03/275983703.db2.gz XGPOILWWRLZNDF-HXUWFJFHSA-N 2 0 335.511 3.008 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370632667 276015902 /nfs/dbraw/zinc/01/59/02/276015902.db2.gz CUWRSIBSQWXITP-UNMCSNQZSA-N 2 0 343.559 3.402 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000286938236 276060361 /nfs/dbraw/zinc/06/03/61/276060361.db2.gz LXJKZNZWYNIFDZ-IAGOWNOFSA-N 2 0 329.492 3.428 20 0 EGADRP CC1(C)CN(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205863 276130943 /nfs/dbraw/zinc/13/09/43/276130943.db2.gz XVIIVUKBDJTASW-RTBURBONSA-N 2 0 349.563 3.017 20 0 EGADRP Clc1cccc2c(N3CC[NH+](C[C@@H]4CCOC4)CC3)ccnc12 ZINC000287811232 276159490 /nfs/dbraw/zinc/15/94/90/276159490.db2.gz KEXZEMWRTINPON-AWEZNQCLSA-N 2 0 331.847 3.047 20 0 EGADRP Cc1ccc2cc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)ccc2n1 ZINC000289415897 276335466 /nfs/dbraw/zinc/33/54/66/276335466.db2.gz ILSROIFMQVJLFW-UHFFFAOYSA-N 2 0 340.515 3.001 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000289538302 276354768 /nfs/dbraw/zinc/35/47/68/276354768.db2.gz BMWLAXBSINQBHD-GOSISDBHSA-N 2 0 340.515 3.303 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1nccc2ccccc21 ZINC000289544877 276355828 /nfs/dbraw/zinc/35/58/28/276355828.db2.gz BUJLPBQAQHUFAO-AEFFLSMTSA-N 2 0 327.472 3.122 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1C ZINC000071920162 276370971 /nfs/dbraw/zinc/37/09/71/276370971.db2.gz DKAWDFZZKLFVBV-GOSISDBHSA-N 2 0 346.519 3.183 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292130621 276738275 /nfs/dbraw/zinc/73/82/75/276738275.db2.gz RJIJAGIQMOACDX-QGZVFWFLSA-N 2 0 347.528 3.015 20 0 EGADRP Cn1cncc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000237070646 276810916 /nfs/dbraw/zinc/81/09/16/276810916.db2.gz UIWPORJJOPXDFU-UHFFFAOYSA-N 2 0 334.467 3.439 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)c2ccccc2C1 ZINC000361908129 277005132 /nfs/dbraw/zinc/00/51/32/277005132.db2.gz NFLJGSMLPHCGLT-LAUBAEHRSA-N 2 0 343.515 3.192 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CC(C)(C)c4ccccc43)C2)CC1 ZINC000370634375 277027881 /nfs/dbraw/zinc/02/78/81/277027881.db2.gz LJFLMBYRQOCXMM-OXQOHEQNSA-N 2 0 327.516 3.167 20 0 EGADRP CC(C)(C[NH2+]Cc1c[nH]nc1-c1ccccc1F)C[NH+]1CCCC1 ZINC000360166107 277302745 /nfs/dbraw/zinc/30/27/45/277302745.db2.gz OZYSUJZOMRNXMC-UHFFFAOYSA-N 2 0 330.451 3.427 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000122275345 278058116 /nfs/dbraw/zinc/05/81/16/278058116.db2.gz XFPGIIAGZLZIPC-PXNSSMCTSA-N 2 0 345.531 3.249 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263258852 279384738 /nfs/dbraw/zinc/38/47/38/279384738.db2.gz QSWBEJZHGXWGRS-AZUAARDMSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126777004 279496176 /nfs/dbraw/zinc/49/61/76/279496176.db2.gz SNYPQTHWWZTZSU-HOTGVXAUSA-N 2 0 349.494 3.043 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000374579140 279528067 /nfs/dbraw/zinc/52/80/67/279528067.db2.gz XDFLHWXYGYDFON-YGWPLHOASA-N 2 0 346.515 3.481 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc(=O)oc2c1 ZINC000261599471 281044570 /nfs/dbraw/zinc/04/45/70/281044570.db2.gz ASOPHNCBRKVNRP-SFHVURJKSA-N 2 0 326.440 3.065 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccnc1Cl ZINC000178035944 289951735 /nfs/dbraw/zinc/95/17/35/289951735.db2.gz NMVVJQNVECMMBQ-KKUMJFAQSA-N 2 0 325.884 3.275 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000348383863 290021804 /nfs/dbraw/zinc/02/18/04/290021804.db2.gz UEJLTTQHSJZUAQ-TTZDDIAXSA-N 2 0 334.426 3.339 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000261605445 295121472 /nfs/dbraw/zinc/12/14/72/295121472.db2.gz CNDZGUWMBPKXCY-RCCFBDPRSA-N 2 0 332.488 3.147 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1OC ZINC000120574559 295140317 /nfs/dbraw/zinc/14/03/17/295140317.db2.gz UEEKQYSMZXNGHT-KRWDZBQOSA-N 2 0 334.504 3.346 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000375892674 295140518 /nfs/dbraw/zinc/14/05/18/295140518.db2.gz ZMQUTTMSEBEGIB-BMGDILEWSA-N 2 0 332.488 3.160 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000375892678 295140776 /nfs/dbraw/zinc/14/07/76/295140776.db2.gz ZMQUTTMSEBEGIB-QGTPRVQTSA-N 2 0 332.488 3.160 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000353633048 295207426 /nfs/dbraw/zinc/20/74/26/295207426.db2.gz VQOBVVDYARSRQK-CQSZACIVSA-N 2 0 338.517 3.182 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000237870581 303456730 /nfs/dbraw/zinc/45/67/30/303456730.db2.gz ZZWZKOPURFAAPP-NXHRZFHOSA-N 2 0 349.906 3.111 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413768891 309047104 /nfs/dbraw/zinc/04/71/04/309047104.db2.gz KABFEABQQTZGFK-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP CCC(CC)(CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000073648382 307387391 /nfs/dbraw/zinc/38/73/91/307387391.db2.gz YXONZEVIUKSBGS-KRWDZBQOSA-N 2 0 345.531 3.354 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000121122896 307515467 /nfs/dbraw/zinc/51/54/67/307515467.db2.gz APOYIZGDHJOBPO-WWMYMODYSA-N 2 0 347.522 3.312 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000414168696 309064424 /nfs/dbraw/zinc/06/44/24/309064424.db2.gz APYRVIAVZWZXCB-HZPDHXFCSA-N 2 0 348.487 3.464 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000414170091 309064457 /nfs/dbraw/zinc/06/44/57/309064457.db2.gz BPNJSEODLUSDCB-IRXDYDNUSA-N 2 0 329.488 3.196 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000414172074 309064665 /nfs/dbraw/zinc/06/46/65/309064665.db2.gz DWQXZRZVNDQIIZ-BQJIDLTASA-N 2 0 341.499 3.141 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000414175910 309064891 /nfs/dbraw/zinc/06/48/91/309064891.db2.gz ISTMYPXJOHIOSC-CABCVRRESA-N 2 0 336.476 3.095 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000165999913 307930408 /nfs/dbraw/zinc/93/04/08/307930408.db2.gz QNKFRQUWXPZLHL-BBRMVZONSA-N 2 0 343.309 3.457 20 0 EGADRP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414344462 309074061 /nfs/dbraw/zinc/07/40/61/309074061.db2.gz RTRAYOVNWVGMEF-LJQANCHMSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262664096 308065005 /nfs/dbraw/zinc/06/50/05/308065005.db2.gz IGRUWDITJPYPEF-ROUUACIJSA-N 2 0 345.531 3.169 20 0 EGADRP Brc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000269978559 308066649 /nfs/dbraw/zinc/06/66/49/308066649.db2.gz QFZGMDBEHYULIN-NEPJUHHUSA-N 2 0 329.307 3.270 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000292897041 308077469 /nfs/dbraw/zinc/07/74/69/308077469.db2.gz GFZAONNFTQNZHV-XLIONFOSSA-N 2 0 329.488 3.048 20 0 EGADRP C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259972 308114736 /nfs/dbraw/zinc/11/47/36/308114736.db2.gz GBQCPJUMCYFIOY-SJORKVTESA-N 2 0 331.504 3.304 20 0 EGADRP CCc1nocc1C[NH+](C)CCCC[N@@H+](C)Cc1conc1CC ZINC000293359857 308123675 /nfs/dbraw/zinc/12/36/75/308123675.db2.gz IHPQUGNEMVJGSI-UHFFFAOYSA-N 2 0 334.464 3.131 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCC34CCCC4)ccn2)CC1 ZINC000293752028 308158850 /nfs/dbraw/zinc/15/88/50/308158850.db2.gz OGKYPVSPBGLZPX-GOSISDBHSA-N 2 0 328.504 3.036 20 0 EGADRP CC(=O)NC1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000293880401 308170474 /nfs/dbraw/zinc/17/04/74/308170474.db2.gz VKQTUHOUUHNIOH-AOUGCYQESA-N 2 0 343.515 3.076 20 0 EGADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294276623 308205876 /nfs/dbraw/zinc/20/58/76/308205876.db2.gz SHVORKPTHWKONR-QRWLVFNGSA-N 2 0 343.446 3.291 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000295338969 308316150 /nfs/dbraw/zinc/31/61/50/308316150.db2.gz BEFCSEZCAZDERL-MRXNPFEDSA-N 2 0 339.474 3.076 20 0 EGADRP Oc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1Br ZINC000414648360 309093547 /nfs/dbraw/zinc/09/35/47/309093547.db2.gz BANQZGWBOTVUIV-AWEZNQCLSA-N 2 0 339.277 3.119 20 0 EGADRP C[NH2+]CCCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414714545 309096902 /nfs/dbraw/zinc/09/69/02/309096902.db2.gz QEDCVDXFQSKNRA-UHFFFAOYSA-N 2 0 332.492 3.182 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414668700 309094723 /nfs/dbraw/zinc/09/47/23/309094723.db2.gz AQKHJBYWLGUZBY-NEPJUHHUSA-N 2 0 344.286 3.252 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771653 309099912 /nfs/dbraw/zinc/09/99/12/309099912.db2.gz AFAVZNUCKBBYKV-CVEARBPZSA-N 2 0 328.435 3.037 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000414776663 309100296 /nfs/dbraw/zinc/10/02/96/309100296.db2.gz HIOCXARPMZEYBZ-UONOGXRCSA-N 2 0 340.414 3.118 20 0 EGADRP COc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414788496 309101331 /nfs/dbraw/zinc/10/13/31/309101331.db2.gz WQAACEUGHILGRV-ZIAGYGMSSA-N 2 0 331.485 3.126 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414803773 309102452 /nfs/dbraw/zinc/10/24/52/309102452.db2.gz OANFFKYTTQNHFP-ZIAGYGMSSA-N 2 0 346.393 3.243 20 0 EGADRP Cc1csc(CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000298598030 308627209 /nfs/dbraw/zinc/62/72/09/308627209.db2.gz YZSHSCAWVOBVIY-UHFFFAOYSA-N 2 0 330.501 3.428 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414812083 309103172 /nfs/dbraw/zinc/10/31/72/309103172.db2.gz QVIHQEGZYWOZLK-GFCCVEGCSA-N 2 0 341.883 3.173 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414822571 309103837 /nfs/dbraw/zinc/10/38/37/309103837.db2.gz AMKBMZMVKCTZMQ-OCCSQVGLSA-N 2 0 326.868 3.225 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000414838163 309104737 /nfs/dbraw/zinc/10/47/37/309104737.db2.gz KXNOYGSMFRJCDK-OAHLLOKOSA-N 2 0 346.446 3.358 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414839313 309104745 /nfs/dbraw/zinc/10/47/45/309104745.db2.gz VYUPXFSGCQGLQC-HNNXBMFYSA-N 2 0 332.879 3.232 20 0 EGADRP Cc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000305171903 308758905 /nfs/dbraw/zinc/75/89/05/308758905.db2.gz ZXSJRWHHMXXMJR-HXUWFJFHSA-N 2 0 346.515 3.121 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C2CC3CC(C2)CC1C3 ZINC000333765236 308867847 /nfs/dbraw/zinc/86/78/47/308867847.db2.gz BDWGGQJIGUAJDV-SKOMGYQVSA-N 2 0 339.527 3.223 20 0 EGADRP Cc1noc(C2CCC([NH2+]CC3([NH3+])C4CC5CC(C4)CC3C5)CC2)n1 ZINC000333842005 308869599 /nfs/dbraw/zinc/86/95/99/308869599.db2.gz OLCATSWCPIMGQC-UHFFFAOYSA-N 2 0 344.503 3.147 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]CCCC[NH3+])cc2)c1 ZINC000414910825 309108732 /nfs/dbraw/zinc/10/87/32/309108732.db2.gz SFXOMBOFPJOEEO-UHFFFAOYSA-N 2 0 330.428 3.325 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000414936059 309110108 /nfs/dbraw/zinc/11/01/08/309110108.db2.gz YZAQZQJHDKTJMU-KGLIPLIRSA-N 2 0 338.377 3.251 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414976463 309112512 /nfs/dbraw/zinc/11/25/12/309112512.db2.gz QEAILDWHJNPCTD-IBGZPJMESA-N 2 0 325.456 3.138 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CC[NH2+]CC1 ZINC000414979704 309112667 /nfs/dbraw/zinc/11/26/67/309112667.db2.gz VELOJPNXEVHMNB-WOJBJXKFSA-N 2 0 330.516 3.394 20 0 EGADRP COCC1(C[NH2+]Cc2csc(-c3ccc(C)cc3)n2)CC[NH2+]CC1 ZINC000414982400 309112737 /nfs/dbraw/zinc/11/27/37/309112737.db2.gz YAMILYXUMPFPFG-UHFFFAOYSA-N 2 0 345.512 3.224 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414992550 309113203 /nfs/dbraw/zinc/11/32/03/309113203.db2.gz KRPGHKIGURNAJX-PMACEKPBSA-N 2 0 340.515 3.464 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414997876 309113311 /nfs/dbraw/zinc/11/33/11/309113311.db2.gz QENYAXWKDDTREB-RHSMWYFYSA-N 2 0 332.879 3.441 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000415005264 309113706 /nfs/dbraw/zinc/11/37/06/309113706.db2.gz IZSHEZXRFWJCQW-DZGCQCFKSA-N 2 0 346.368 3.245 20 0 EGADRP FC(F)(F)COc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415009493 309114141 /nfs/dbraw/zinc/11/41/41/309114141.db2.gz OEQJDCHHTSUSRR-JKSUJKDBSA-N 2 0 328.378 3.105 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000415026606 309115027 /nfs/dbraw/zinc/11/50/27/309115027.db2.gz UYPPLSQGTHNIOP-NSHDSACASA-N 2 0 326.366 3.313 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000415026249 309115103 /nfs/dbraw/zinc/11/51/03/309115103.db2.gz SIDFDCHUMFFMKL-IWFBPKFRSA-N 2 0 329.532 3.394 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415032846 309115467 /nfs/dbraw/zinc/11/54/67/309115467.db2.gz AZQISBPUSNTBCJ-LSDHHAIUSA-N 2 0 340.414 3.261 20 0 EGADRP CC(C)c1ccc([C@H]([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)cc1 ZINC000415078997 309118702 /nfs/dbraw/zinc/11/87/02/309118702.db2.gz JKFNKSQEOXQSEG-DYESRHJHSA-N 2 0 345.531 3.294 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000415084168 309119169 /nfs/dbraw/zinc/11/91/69/309119169.db2.gz OHJQAHWWRKPRKC-QFWMXSHPSA-N 2 0 329.257 3.379 20 0 EGADRP CCOc1ccc(C2(C[NH2+]C[C@@H]3CC[NH2+][C@@H](C)C3)CCOCC2)cc1 ZINC000415092122 309119657 /nfs/dbraw/zinc/11/96/57/309119657.db2.gz SCYFBNAUZHWXSC-ZWKOTPCHSA-N 2 0 346.515 3.111 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H](C)C[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000415094978 309119883 /nfs/dbraw/zinc/11/98/83/309119883.db2.gz YJBCHQVEAWFJMN-HKUYNNGSSA-N 2 0 346.515 3.254 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415108741 309120858 /nfs/dbraw/zinc/12/08/58/309120858.db2.gz MWTPPFRQLZKYGD-XPGWFJOJSA-N 2 0 332.488 3.017 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415116511 309121342 /nfs/dbraw/zinc/12/13/42/309121342.db2.gz BNVFKLLCGWJXIG-DUXKGJEZSA-N 2 0 330.516 3.474 20 0 EGADRP c1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1-c1ccccn1 ZINC000415119114 309121521 /nfs/dbraw/zinc/12/15/21/309121521.db2.gz WWRIVOWLVOGCGB-ARFHVFGLSA-N 2 0 342.512 3.258 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000415121954 309121682 /nfs/dbraw/zinc/12/16/82/309121682.db2.gz IXYKWGJOCRWGFK-RHSMWYFYSA-N 2 0 326.843 3.197 20 0 EGADRP CC[NH+]1CCN(c2ccc(NC3CCC(C[NH3+])CC3)c(C)c2)CC1 ZINC000415122932 309121856 /nfs/dbraw/zinc/12/18/56/309121856.db2.gz ORKBWXGIYXBONS-UHFFFAOYSA-N 2 0 330.520 3.066 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000415122017 309121909 /nfs/dbraw/zinc/12/19/09/309121909.db2.gz HYFWOJWGNHMUOZ-APWZRJJASA-N 2 0 325.456 3.077 20 0 EGADRP CC[C@@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)Oc1ccccc1C(F)(F)F ZINC000415124467 309122025 /nfs/dbraw/zinc/12/20/25/309122025.db2.gz RDGSYAVPKLJVDF-BBRMVZONSA-N 2 0 330.394 3.452 20 0 EGADRP CC[C@@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)Oc1ccccc1C(F)(F)F ZINC000415124665 309122064 /nfs/dbraw/zinc/12/20/64/309122064.db2.gz RDGSYAVPKLJVDF-XJKSGUPXSA-N 2 0 330.394 3.452 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415126507 309122242 /nfs/dbraw/zinc/12/22/42/309122242.db2.gz PJWPTRGYRXBNBQ-UYAOXDASSA-N 2 0 332.488 3.192 20 0 EGADRP CC(C)([NH3+])C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415128431 309122383 /nfs/dbraw/zinc/12/23/83/309122383.db2.gz XSYJNVHBLAHZTR-UHFFFAOYSA-N 2 0 330.303 3.285 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415130818 309122754 /nfs/dbraw/zinc/12/27/54/309122754.db2.gz XYBHGPSHHMXFGW-CTNGQTDRSA-N 2 0 346.515 3.440 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1C[NH3+] ZINC000415135493 309123052 /nfs/dbraw/zinc/12/30/52/309123052.db2.gz WSDPNQIBHRIYGG-SJLPKXTDSA-N 2 0 325.456 3.077 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)cs1 ZINC000415134815 309123055 /nfs/dbraw/zinc/12/30/55/309123055.db2.gz WEVNEFAIAJBSLB-YOEHRIQHSA-N 2 0 345.512 3.447 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)cs1 ZINC000415134807 309123073 /nfs/dbraw/zinc/12/30/73/309123073.db2.gz WEVNEFAIAJBSLB-PBHICJAKSA-N 2 0 345.512 3.447 20 0 EGADRP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415796959 309144066 /nfs/dbraw/zinc/14/40/66/309144066.db2.gz YXRLPGPLXHWTHL-PKOBYXMFSA-N 2 0 332.492 3.121 20 0 EGADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415796958 309144121 /nfs/dbraw/zinc/14/41/21/309144121.db2.gz YXRLPGPLXHWTHL-MJGOQNOKSA-N 2 0 332.492 3.121 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000415923428 309149004 /nfs/dbraw/zinc/14/90/04/309149004.db2.gz UZEPZGWXKHYHGF-LJQANCHMSA-N 2 0 346.519 3.428 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000415959741 309151276 /nfs/dbraw/zinc/15/12/76/309151276.db2.gz PMDONKPECGAFNQ-HNAYVOBHSA-N 2 0 340.471 3.267 20 0 EGADRP Cc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000415973856 309152220 /nfs/dbraw/zinc/15/22/20/309152220.db2.gz KQBVJKRCXJOKGK-KRWDZBQOSA-N 2 0 342.443 3.005 20 0 EGADRP C[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000416128787 309159979 /nfs/dbraw/zinc/15/99/79/309159979.db2.gz GYCHNAAACRKGOT-ZIFCJYIRSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419337863 309264843 /nfs/dbraw/zinc/26/48/43/309264843.db2.gz YMYHHMDNTZWRAJ-MSOLQXFVSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1 ZINC000419807927 309272392 /nfs/dbraw/zinc/27/23/92/309272392.db2.gz UAOKDANWIQYCAU-ZIAGYGMSSA-N 2 0 339.936 3.075 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298917 309280221 /nfs/dbraw/zinc/28/02/21/309280221.db2.gz AGCBTSYDCXBHCT-BMGDILEWSA-N 2 0 342.874 3.275 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CCC[NH2+]C1 ZINC000420299115 309280258 /nfs/dbraw/zinc/28/02/58/309280258.db2.gz GIAZJUIEDGDQCK-MRXNPFEDSA-N 2 0 344.478 3.470 20 0 EGADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420302996 309280458 /nfs/dbraw/zinc/28/04/58/309280458.db2.gz KFEBGXBKOOSXEH-GFCCVEGCSA-N 2 0 344.286 3.253 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420304307 309280543 /nfs/dbraw/zinc/28/05/43/309280543.db2.gz IOEJVPXNYBHJDQ-DZGCQCFKSA-N 2 0 330.863 3.275 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000420305709 309280677 /nfs/dbraw/zinc/28/06/77/309280677.db2.gz QABCGIGIBZYVSD-YYWHXJBOSA-N 2 0 326.484 3.227 20 0 EGADRP COc1ccc(CC[N@H+](CC[C@H]2CC[NH2+]C2)CC(C)C)cc1OC ZINC000420310889 309281098 /nfs/dbraw/zinc/28/10/98/309281098.db2.gz VIESOJSMMCHLJQ-GOSISDBHSA-N 2 0 334.504 3.204 20 0 EGADRP CC[N@H+](CCOc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000420312082 309281130 /nfs/dbraw/zinc/28/11/30/309281130.db2.gz OFRIZESSHSCCBN-AWEZNQCLSA-N 2 0 341.293 3.292 20 0 EGADRP COc1ccccc1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420320025 309281751 /nfs/dbraw/zinc/28/17/51/309281751.db2.gz QBSQDMCCGXQUSR-HKUYNNGSSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000420323377 309282022 /nfs/dbraw/zinc/28/20/22/309282022.db2.gz TWSOLHUIBJBNTO-MRXNPFEDSA-N 2 0 336.277 3.460 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329419 309282524 /nfs/dbraw/zinc/28/25/24/309282524.db2.gz GSDDFANRLHYOQS-ZYSHUDEJSA-N 2 0 343.515 3.070 20 0 EGADRP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420335054 309282836 /nfs/dbraw/zinc/28/28/36/309282836.db2.gz HFAHYHOCYHWJLE-GJZGRUSLSA-N 2 0 346.862 3.212 20 0 EGADRP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420335052 309282888 /nfs/dbraw/zinc/28/28/88/309282888.db2.gz HFAHYHOCYHWJLE-CABCVRRESA-N 2 0 346.862 3.212 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336742 309282988 /nfs/dbraw/zinc/28/29/88/309282988.db2.gz MSTRFUWIOMYPHZ-CRAIPNDOSA-N 2 0 329.488 3.040 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340065 309283191 /nfs/dbraw/zinc/28/31/91/309283191.db2.gz MLOKLPFPARTWBL-ZWKOTPCHSA-N 2 0 330.472 3.109 20 0 EGADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420345760 309283369 /nfs/dbraw/zinc/28/33/69/309283369.db2.gz WOGFOSMPPLWWNS-DNVCBOLYSA-N 2 0 329.488 3.040 20 0 EGADRP Cc1ccc(SCC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1C ZINC000420343579 309283405 /nfs/dbraw/zinc/28/34/05/309283405.db2.gz WQHUSSMKPNMBNG-MOPGFXCFSA-N 2 0 334.529 3.224 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c2ccccc2n1 ZINC000420380384 309285256 /nfs/dbraw/zinc/28/52/56/309285256.db2.gz OAIIVUPYLIYFNW-FPOVZHCZSA-N 2 0 339.483 3.262 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420386918 309285756 /nfs/dbraw/zinc/28/57/56/309285756.db2.gz VGCFDUJYDWZHRL-RTWAWAEBSA-N 2 0 346.515 3.291 20 0 EGADRP CCc1cccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000420982524 309305794 /nfs/dbraw/zinc/30/57/94/309305794.db2.gz PDCFCLLYXGPSLA-UHFFFAOYSA-N 2 0 329.532 3.241 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000421844505 309343004 /nfs/dbraw/zinc/34/30/04/309343004.db2.gz UDKYKWYZNYIZQG-FXAWDEMLSA-N 2 0 346.515 3.081 20 0 EGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000422543524 309361370 /nfs/dbraw/zinc/36/13/70/309361370.db2.gz SJWOMFLSIQXVKY-HXUWFJFHSA-N 2 0 339.483 3.002 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCCCC1 ZINC000422707274 309364059 /nfs/dbraw/zinc/36/40/59/309364059.db2.gz HEBQJWSOHYERKR-MJGOQNOKSA-N 2 0 333.520 3.329 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422711801 309364300 /nfs/dbraw/zinc/36/43/00/309364300.db2.gz GIKUXJYCTXRZRI-RTBURBONSA-N 2 0 329.488 3.148 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422711798 309364386 /nfs/dbraw/zinc/36/43/86/309364386.db2.gz GIKUXJYCTXRZRI-MOPGFXCFSA-N 2 0 329.488 3.148 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](CC)c2ccccc2)CC[NH2+]CC1 ZINC000422719829 309364754 /nfs/dbraw/zinc/36/47/54/309364754.db2.gz ROLCLFZPHIDCOZ-SJORKVTESA-N 2 0 332.488 3.091 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422731278 309365717 /nfs/dbraw/zinc/36/57/17/309365717.db2.gz NJUHVSXELPBSQU-PZJWPPBQSA-N 2 0 338.451 3.083 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422731176 309365724 /nfs/dbraw/zinc/36/57/24/309365724.db2.gz GMGLENCHTUUZDL-NRSPTQNISA-N 2 0 338.451 3.220 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000422736078 309365864 /nfs/dbraw/zinc/36/58/64/309365864.db2.gz XCZZNHJONZQYGR-HRAATJIYSA-N 2 0 338.499 3.336 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccc1OC ZINC000422735744 309365927 /nfs/dbraw/zinc/36/59/27/309365927.db2.gz VCHSDVATPBFZPH-KZNAEPCWSA-N 2 0 332.488 3.494 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)CC[NH2+]CC1 ZINC000422748260 309366429 /nfs/dbraw/zinc/36/64/29/309366429.db2.gz SWACFMVARCLJBM-DLBZAZTESA-N 2 0 332.488 3.275 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422747692 309366562 /nfs/dbraw/zinc/36/65/62/309366562.db2.gz ZJYSYWPZAOJDPX-OXJNMPFZSA-N 2 0 338.499 3.164 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422753698 309366682 /nfs/dbraw/zinc/36/66/82/309366682.db2.gz GHDRENJAFGYFPA-AWEZNQCLSA-N 2 0 344.421 3.471 20 0 EGADRP Fc1ccccc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422753351 309366690 /nfs/dbraw/zinc/36/66/90/309366690.db2.gz CEAXCOMHCOGJGM-QUCCMNQESA-N 2 0 326.415 3.214 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000422761882 309366918 /nfs/dbraw/zinc/36/69/18/309366918.db2.gz NCAOAXKBNBKKDM-IPELMVKDSA-N 2 0 334.479 3.370 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422768473 309367359 /nfs/dbraw/zinc/36/73/59/309367359.db2.gz UPRIPYFJJGETLV-VAMGGRTRSA-N 2 0 346.490 3.384 20 0 EGADRP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000422770057 309367479 /nfs/dbraw/zinc/36/74/79/309367479.db2.gz WHHWGLPPKNFRKT-XUVXKRRUSA-N 2 0 342.531 3.259 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422773293 309367600 /nfs/dbraw/zinc/36/76/00/309367600.db2.gz ZRQVUSFNYYXGQD-YSSFQJQWSA-N 2 0 344.524 3.415 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774358 309367695 /nfs/dbraw/zinc/36/76/95/309367695.db2.gz WSEXBURWTUTDRE-SLYNCCJLSA-N 2 0 343.515 3.096 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000422781835 309368012 /nfs/dbraw/zinc/36/80/12/309368012.db2.gz LCQDSBQRUVYPPS-CWFSZBLJSA-N 2 0 325.456 3.420 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000422812548 309369776 /nfs/dbraw/zinc/36/97/76/309369776.db2.gz QQNWAWFMEKFUHG-NSHGMRRFSA-N 2 0 330.472 3.037 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000422823885 309370400 /nfs/dbraw/zinc/37/04/00/309370400.db2.gz MNKHJUMAJZFDEU-BRWVUGGUSA-N 2 0 330.472 3.203 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422827872 309370544 /nfs/dbraw/zinc/37/05/44/309370544.db2.gz ABVNALXRQSZYOG-CVEARBPZSA-N 2 0 335.455 3.150 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1Br ZINC000422830783 309370655 /nfs/dbraw/zinc/37/06/55/309370655.db2.gz CYXNVIIFNYVHSL-NFAWXSAZSA-N 2 0 341.293 3.324 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422834249 309370818 /nfs/dbraw/zinc/37/08/18/309370818.db2.gz XBTFXFNGKNPIOL-KZNAEPCWSA-N 2 0 332.488 3.494 20 0 EGADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422840716 309371250 /nfs/dbraw/zinc/37/12/50/309371250.db2.gz UNILTDFTCTUPNO-HSALFYBXSA-N 2 0 330.516 3.273 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422839232 309371427 /nfs/dbraw/zinc/37/14/27/309371427.db2.gz QANBTJSSITVUQV-YLJYHZDGSA-N 2 0 347.466 3.151 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845140 309371630 /nfs/dbraw/zinc/37/16/30/309371630.db2.gz NORWUBNGDPMENA-FDFHNCONSA-N 2 0 341.543 3.204 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422850780 309371905 /nfs/dbraw/zinc/37/19/05/309371905.db2.gz DRIXJUUJLUSOMO-UYAOXDASSA-N 2 0 345.531 3.232 20 0 EGADRP [NH3+][C@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000422848432 309372018 /nfs/dbraw/zinc/37/20/18/309372018.db2.gz TUORTNCSHACAMJ-VXKWHMMOSA-N 2 0 335.495 3.428 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2)n1 ZINC000422867011 309372726 /nfs/dbraw/zinc/37/27/26/309372726.db2.gz RNQUWJRHZAKEMY-PMACEKPBSA-N 2 0 326.488 3.281 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1c(Cl)cccc1Cl ZINC000422875147 309373321 /nfs/dbraw/zinc/37/33/21/309373321.db2.gz CBPTXTSHUFGOJK-MCYUEQNJSA-N 2 0 331.287 3.439 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)CCOCC2)cc1 ZINC000422875946 309373328 /nfs/dbraw/zinc/37/33/28/309373328.db2.gz DRWAYYVJXSKSFM-XLIONFOSSA-N 2 0 346.515 3.111 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000422877661 309373353 /nfs/dbraw/zinc/37/33/53/309373353.db2.gz IAEFWHNNVYOLEV-DOMZBBRYSA-N 2 0 325.294 3.444 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CCOCC2)cc1 ZINC000422879256 309373730 /nfs/dbraw/zinc/37/37/30/309373730.db2.gz LYPXKVDEHGRLLL-YLJYHZDGSA-N 2 0 346.515 3.241 20 0 EGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422886352 309374195 /nfs/dbraw/zinc/37/41/95/309374195.db2.gz WLKSAKPOAAJOSJ-GBESFXJTSA-N 2 0 329.488 3.436 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(N2CCCCC2)n1 ZINC000422894755 309374647 /nfs/dbraw/zinc/37/46/47/309374647.db2.gz DDTOMGKTNBVKBN-GBESFXJTSA-N 2 0 328.504 3.082 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422901652 309375116 /nfs/dbraw/zinc/37/51/16/309375116.db2.gz LJRPDDGAYUYMBY-YTQUADARSA-N 2 0 342.462 3.330 20 0 EGADRP CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000422914538 309375938 /nfs/dbraw/zinc/37/59/38/309375938.db2.gz URLABTMPUAJRNZ-SLFFLAALSA-N 2 0 341.499 3.020 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422934352 309376722 /nfs/dbraw/zinc/37/67/22/309376722.db2.gz CNZKGYQIERHWEJ-CVEARBPZSA-N 2 0 344.528 3.385 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422941479 309377332 /nfs/dbraw/zinc/37/73/32/309377332.db2.gz OQGJRQZQQPFATN-XUVXKRRUSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1c[nH+]ccc1N ZINC000422958922 309378304 /nfs/dbraw/zinc/37/83/04/309378304.db2.gz ZKXYKRZIUMGZJH-CQSZACIVSA-N 2 0 328.485 3.216 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422962927 309378494 /nfs/dbraw/zinc/37/84/94/309378494.db2.gz HBRSMDQZNUEUOZ-XLIONFOSSA-N 2 0 326.488 3.220 20 0 EGADRP COCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422969613 309378937 /nfs/dbraw/zinc/37/89/37/309378937.db2.gz UWFSPSRGOQMDJB-HSALFYBXSA-N 2 0 331.504 3.145 20 0 EGADRP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422974248 309379055 /nfs/dbraw/zinc/37/90/55/309379055.db2.gz QQCSBQOKCXRFKT-CEXWTWQISA-N 2 0 329.488 3.413 20 0 EGADRP CSc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000422986944 309379610 /nfs/dbraw/zinc/37/96/10/309379610.db2.gz HPJXVCRKMHFMKT-APWZRJJASA-N 2 0 341.480 3.149 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423002246 309380294 /nfs/dbraw/zinc/38/02/94/309380294.db2.gz JEYKRPNFUYSFQG-UKAVVXHISA-N 3 0 329.532 3.265 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423003008 309380463 /nfs/dbraw/zinc/38/04/63/309380463.db2.gz KNKORODQQWWIMV-JYRKZWEQSA-N 2 0 329.532 3.407 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423008478 309380523 /nfs/dbraw/zinc/38/05/23/309380523.db2.gz SUUTXZWAVRIPSV-JXFKEZNVSA-N 3 0 327.472 3.129 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]C2CCC(C[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000423007839 309380570 /nfs/dbraw/zinc/38/05/70/309380570.db2.gz YQJJFMMATBMVGG-QXWDQEIOSA-N 3 0 329.532 3.394 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423005987 309380592 /nfs/dbraw/zinc/38/05/92/309380592.db2.gz TZODSXTVGKHUQT-BVOGOJNSSA-N 3 0 329.532 3.394 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423015053 309380911 /nfs/dbraw/zinc/38/09/11/309380911.db2.gz QHLAPEBVSFQNCQ-WBVHZDCISA-N 2 0 342.462 3.307 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000423014947 309380919 /nfs/dbraw/zinc/38/09/19/309380919.db2.gz JOVOOXGDNNHTHJ-NYENLMPPSA-N 2 0 326.843 3.416 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423026259 309381571 /nfs/dbraw/zinc/38/15/71/309381571.db2.gz PXDLEGKNCNKEHG-ZJPYXAASSA-N 2 0 332.488 3.220 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423027688 309381739 /nfs/dbraw/zinc/38/17/39/309381739.db2.gz RSWFOQVUNYXWGT-ZIFCJYIRSA-N 2 0 342.483 3.258 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423028183 309381809 /nfs/dbraw/zinc/38/18/09/309381809.db2.gz QJDUIRLIWMYUQD-RHSMWYFYSA-N 2 0 344.890 3.432 20 0 EGADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423029746 309381905 /nfs/dbraw/zinc/38/19/05/309381905.db2.gz VIHWSHBRTCVPHW-DTTOXWODSA-N 2 0 339.886 3.189 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(-c2ccccc2)n1 ZINC000423036968 309382186 /nfs/dbraw/zinc/38/21/86/309382186.db2.gz VFABABATAGZGEF-VAMGGRTRSA-N 2 0 338.499 3.488 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423037146 309382324 /nfs/dbraw/zinc/38/23/24/309382324.db2.gz BEZGQEZAIWFBCC-CSMYWGQOSA-N 2 0 325.859 3.307 20 0 EGADRP Cc1cc(Br)cn2cc(C[NH2+][C@H](C)CCCC[NH3+])nc12 ZINC000423042508 309382694 /nfs/dbraw/zinc/38/26/94/309382694.db2.gz ZNURHRWDQXUFMY-GFCCVEGCSA-N 2 0 339.281 3.012 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2c(C)oc3ccccc32)CC[NH2+]CC1 ZINC000423051974 309383255 /nfs/dbraw/zinc/38/32/55/309383255.db2.gz PPECDWCWPQTHOK-HNNXBMFYSA-N 2 0 344.455 3.152 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)CCO2 ZINC000423053741 309383338 /nfs/dbraw/zinc/38/33/38/309383338.db2.gz SSWBIUGHJYBXGN-UGSOOPFHSA-N 2 0 327.428 3.032 20 0 EGADRP Clc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000423070052 309384315 /nfs/dbraw/zinc/38/43/15/309384315.db2.gz MMBKASDNEIHLNP-PEUVFPKISA-N 2 0 340.298 3.445 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423075637 309384632 /nfs/dbraw/zinc/38/46/32/309384632.db2.gz PAKJMVKVCBZNRP-FRYIKTPZSA-N 2 0 334.479 3.007 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423097917 309385898 /nfs/dbraw/zinc/38/58/98/309385898.db2.gz BRMXVRHUZDWUSU-HKUYNNGSSA-N 2 0 325.456 3.268 20 0 EGADRP COCC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000423116009 309386627 /nfs/dbraw/zinc/38/66/27/309386627.db2.gz OOZVYPOCYIYYRR-KPFFTGBYSA-N 2 0 332.488 3.283 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000423127977 309387230 /nfs/dbraw/zinc/38/72/30/309387230.db2.gz CQLWYMNOCQPTNJ-NWANDNLSSA-N 2 0 328.378 3.437 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423136140 309387770 /nfs/dbraw/zinc/38/77/70/309387770.db2.gz GWQHQJSLGNWZFT-XLIONFOSSA-N 2 0 334.504 3.250 20 0 EGADRP COCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000423141473 309388038 /nfs/dbraw/zinc/38/80/38/309388038.db2.gz QGEZUCILVQQGNH-NQIIRXRSSA-N 2 0 344.499 3.429 20 0 EGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179584 309389306 /nfs/dbraw/zinc/38/93/06/309389306.db2.gz MOFHOHAEIBGRAE-HNNXBMFYSA-N 2 0 344.528 3.064 20 0 EGADRP c1ccc(CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423187250 309389774 /nfs/dbraw/zinc/38/97/74/309389774.db2.gz XPSROAXXLVWVOT-JOCHJYFZSA-N 2 0 337.511 3.245 20 0 EGADRP [NH3+]C1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000423204917 309390312 /nfs/dbraw/zinc/39/03/12/309390312.db2.gz AURIWNVFIJCWGA-NWHVRFAMSA-N 2 0 327.241 3.435 20 0 EGADRP C[C@H]([NH3+])CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423228055 309391364 /nfs/dbraw/zinc/39/13/64/309391364.db2.gz YASKBXFNROLATD-LRDDRELGSA-N 2 0 341.293 3.244 20 0 EGADRP Brc1ccccc1C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423250852 309392295 /nfs/dbraw/zinc/39/22/95/309392295.db2.gz RBPQJPVLSDPVCN-GUYCJALGSA-N 2 0 337.305 3.359 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C2 ZINC000423257576 309392659 /nfs/dbraw/zinc/39/26/59/309392659.db2.gz KEMJTCOGDPVHPB-CXAGYDPISA-N 2 0 337.305 3.286 20 0 EGADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423273942 309393509 /nfs/dbraw/zinc/39/35/09/309393509.db2.gz LFRWXMYCSXEHHS-JKSUJKDBSA-N 2 0 325.294 3.343 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423275641 309393521 /nfs/dbraw/zinc/39/35/21/309393521.db2.gz MBQQSAUGENGRNJ-RXVVDRJESA-N 2 0 344.547 3.194 20 0 EGADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423284081 309394001 /nfs/dbraw/zinc/39/40/01/309394001.db2.gz XPVKZYHOBSPNPJ-DOIPELPJSA-N 3 0 329.532 3.250 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c2cccs2)CC1 ZINC000423299320 309394442 /nfs/dbraw/zinc/39/44/42/309394442.db2.gz BSRAUSQAAWZCGR-IXDOHACOSA-N 2 0 349.544 3.025 20 0 EGADRP COCCC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000423298255 309394519 /nfs/dbraw/zinc/39/45/19/309394519.db2.gz NUOFYXMLSKMBRT-SWLSCSKDSA-N 2 0 329.282 3.101 20 0 EGADRP COc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423328351 309395302 /nfs/dbraw/zinc/39/53/02/309395302.db2.gz APZFEMZSHIPRSE-FQEVSTJZSA-N 2 0 326.415 3.433 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c(Br)c1 ZINC000423349810 309396530 /nfs/dbraw/zinc/39/65/30/309396530.db2.gz XOXKZCIFSWKRDF-LLVKDONJSA-N 2 0 325.250 3.028 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1=CC[NH2+]CC1 ZINC000423350863 309396614 /nfs/dbraw/zinc/39/66/14/309396614.db2.gz GYHKYKVKQRHDSV-NSHDSACASA-N 2 0 327.241 3.029 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423365044 309397202 /nfs/dbraw/zinc/39/72/02/309397202.db2.gz PCCBFKIAICELFH-DOIPELPJSA-N 3 0 327.516 3.019 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@@H](C)[NH3+] ZINC000423373588 309397619 /nfs/dbraw/zinc/39/76/19/309397619.db2.gz HSHVSFDTTYCOTR-XLIONFOSSA-N 2 0 345.531 3.298 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423393757 309398316 /nfs/dbraw/zinc/39/83/16/309398316.db2.gz QZVOKTDDSGPKSY-HNNXBMFYSA-N 2 0 326.440 3.166 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]([NH3+])C1CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000423399970 309398492 /nfs/dbraw/zinc/39/84/92/309398492.db2.gz FHUNGGMZIQNIDX-QAPCUYQASA-N 2 0 331.504 3.140 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CC[NH2+]CC1 ZINC000423404943 309398774 /nfs/dbraw/zinc/39/87/74/309398774.db2.gz YKACLPHGUXRPQW-KRWDZBQOSA-N 2 0 334.504 3.388 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC[NH2+]CC1 ZINC000423412356 309399060 /nfs/dbraw/zinc/39/90/60/309399060.db2.gz WRKSQFRGQQOCKI-AWEZNQCLSA-N 2 0 338.517 3.084 20 0 EGADRP COCC1(C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC[NH2+]CC1 ZINC000423409517 309399067 /nfs/dbraw/zinc/39/90/67/309399067.db2.gz QFXDXLMDRVQOLZ-NFOMZHRRSA-N 2 0 336.442 3.349 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000423452631 309400922 /nfs/dbraw/zinc/40/09/22/309400922.db2.gz ZJFRZDJDQBEXJS-FUMNGEBKSA-N 2 0 342.483 3.146 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423489111 309402517 /nfs/dbraw/zinc/40/25/17/309402517.db2.gz WAYFOBVFFNQPHD-IPELMVKDSA-N 2 0 330.472 3.290 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423783117 309412478 /nfs/dbraw/zinc/41/24/78/309412478.db2.gz ZYHDKYABGYUDDT-JKSUJKDBSA-N 2 0 339.911 3.083 20 0 EGADRP CCC[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000424016370 309425512 /nfs/dbraw/zinc/42/55/12/309425512.db2.gz BYEJNEAYCSQNFS-LJQANCHMSA-N 2 0 345.531 3.168 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)CC1CCCCC1 ZINC000424181509 309431973 /nfs/dbraw/zinc/43/19/73/309431973.db2.gz XSIHEFVZDRZDBK-SLFFLAALSA-N 2 0 343.515 3.018 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000430587682 309611957 /nfs/dbraw/zinc/61/19/57/309611957.db2.gz XEAWWJOYVZRMII-AWEZNQCLSA-N 2 0 335.517 3.057 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000430934873 309621402 /nfs/dbraw/zinc/62/14/02/309621402.db2.gz QZYGLRDMPCZVHV-RYUDHWBXSA-N 2 0 343.393 3.092 20 0 EGADRP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430960331 309622339 /nfs/dbraw/zinc/62/23/39/309622339.db2.gz IJRMINBTEIYUOL-IRXDYDNUSA-N 2 0 345.531 3.122 20 0 EGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000431027527 309623847 /nfs/dbraw/zinc/62/38/47/309623847.db2.gz JPUANVIBNJCOSY-UHFFFAOYSA-N 2 0 342.270 3.007 20 0 EGADRP CC[C@H](Cc1ccccc1)N(CC)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116058 309679285 /nfs/dbraw/zinc/67/92/85/309679285.db2.gz LGKVGWDILALFIS-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433125964 309679576 /nfs/dbraw/zinc/67/95/76/309679576.db2.gz MNYUJBQNPVZHPS-QGZVFWFLSA-N 2 0 345.531 3.266 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C[C@@H](C)O1 ZINC000436246544 309750432 /nfs/dbraw/zinc/75/04/32/309750432.db2.gz ZWHCXPZAYMDMET-HUUCEWRRSA-N 2 0 348.516 3.117 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440822923 309857149 /nfs/dbraw/zinc/85/71/49/309857149.db2.gz FENZGAOYYDVHDF-STQMWFEESA-N 2 0 332.414 3.276 20 0 EGADRP C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444007808 309911879 /nfs/dbraw/zinc/91/18/79/309911879.db2.gz CHEQFLVWPQEIPH-BRWVUGGUSA-N 2 0 347.503 3.217 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885755 309970191 /nfs/dbraw/zinc/97/01/91/309970191.db2.gz WLSQFKDFIMFBMK-UHFFFAOYSA-N 2 0 332.879 3.191 20 0 EGADRP COc1cc(C)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000449030963 310031149 /nfs/dbraw/zinc/03/11/49/310031149.db2.gz SXOANRJCEHDFDY-UHFFFAOYSA-N 2 0 332.488 3.080 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccnn2C2CCCC2)cc1 ZINC000449086121 310036076 /nfs/dbraw/zinc/03/60/76/310036076.db2.gz AVOYAQAAWABWJL-UHFFFAOYSA-N 2 0 342.487 3.228 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000449104544 310037337 /nfs/dbraw/zinc/03/73/37/310037337.db2.gz ABQYWPNHDZZCAO-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449130031 310039128 /nfs/dbraw/zinc/03/91/28/310039128.db2.gz FMNUMYJBHQQOGP-QZTJIDSGSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000449178136 310042490 /nfs/dbraw/zinc/04/24/90/310042490.db2.gz UHLJPIKCGADKPS-JRGCBEDISA-N 2 0 330.516 3.223 20 0 EGADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc2ccccc21 ZINC000449194236 310043581 /nfs/dbraw/zinc/04/35/81/310043581.db2.gz UKAKKELUXIBPCS-UHFFFAOYSA-N 2 0 342.483 3.173 20 0 EGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1cccc(F)c1 ZINC000449363989 310056944 /nfs/dbraw/zinc/05/69/44/310056944.db2.gz QTOHOKYOCHGUDQ-FQEVSTJZSA-N 2 0 334.479 3.116 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C\c2ccc(Cl)cc2)CC1 ZINC000449744653 310083790 /nfs/dbraw/zinc/08/37/90/310083790.db2.gz IUXSWNOIVAIRGQ-WAYWQWQTSA-N 2 0 335.923 3.359 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000452086503 310211296 /nfs/dbraw/zinc/21/12/96/310211296.db2.gz MYMAZAQACHDQKR-FXAWDEMLSA-N 2 0 339.483 3.065 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2ccncn2)cc1 ZINC000453059005 310254976 /nfs/dbraw/zinc/25/49/76/310254976.db2.gz HVNBRUCJXQDDBD-INIZCTEOSA-N 2 0 328.460 3.048 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000453063753 310255524 /nfs/dbraw/zinc/25/55/24/310255524.db2.gz HXNAPKXNBKDLGD-NRFANRHFSA-N 2 0 338.499 3.070 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000453081745 310256692 /nfs/dbraw/zinc/25/66/92/310256692.db2.gz UQNZANPGMRZZOC-GOSISDBHSA-N 2 0 338.499 3.429 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CC3 ZINC000453404764 310275225 /nfs/dbraw/zinc/27/52/25/310275225.db2.gz PTRKBWYYRJDXCT-HNNXBMFYSA-N 2 0 341.499 3.498 20 0 EGADRP CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455893121 310381414 /nfs/dbraw/zinc/38/14/14/310381414.db2.gz CKHSBXZPZRMLBY-LJQANCHMSA-N 2 0 344.503 3.231 20 0 EGADRP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+]1CCCCCC1 ZINC000456260090 310395336 /nfs/dbraw/zinc/39/53/36/310395336.db2.gz FEHRFQHZFUIYFK-BEFAXECRSA-N 2 0 329.488 3.439 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](CCOCC3CCCC3)CC2)C[C@H](C)O1 ZINC000459319914 310543758 /nfs/dbraw/zinc/54/37/58/310543758.db2.gz FBTFBRPMFGFBHQ-ROUUACIJSA-N 2 0 338.536 3.014 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000472123431 310759507 /nfs/dbraw/zinc/75/95/07/310759507.db2.gz BWUSJCKSVGLNHK-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000481009450 310904418 /nfs/dbraw/zinc/90/44/18/310904418.db2.gz BDDGBLLETVBVKE-RTBURBONSA-N 2 0 338.923 3.344 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1)C(C)C ZINC000483617951 310953095 /nfs/dbraw/zinc/95/30/95/310953095.db2.gz SKLXHDVQCADAOI-SFHVURJKSA-N 2 0 340.556 3.011 20 0 EGADRP C[C@@H]1C[C@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000488449065 311066177 /nfs/dbraw/zinc/06/61/77/311066177.db2.gz OPJBFNHILOJTGM-KGLIPLIRSA-N 2 0 341.421 3.203 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)cc1)C(C)C ZINC000489400069 311104148 /nfs/dbraw/zinc/10/41/48/311104148.db2.gz OUQMGKKRWMASLP-FQEVSTJZSA-N 2 0 345.531 3.329 20 0 EGADRP CC1CC[NH+](CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000489880337 311123957 /nfs/dbraw/zinc/12/39/57/311123957.db2.gz FDLIGWIWFWZLHO-OAQYLSRUSA-N 2 0 329.532 3.172 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000492695893 311281212 /nfs/dbraw/zinc/28/12/12/311281212.db2.gz KHWCPKOEYQDLME-DLBZAZTESA-N 2 0 337.508 3.064 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CN1C1CC1 ZINC000492751682 311287077 /nfs/dbraw/zinc/28/70/77/311287077.db2.gz YUAMLAJNGWROJG-WBVHZDCISA-N 2 0 349.519 3.159 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000495666217 311593598 /nfs/dbraw/zinc/59/35/98/311593598.db2.gz AMASJRCHEZRXSS-IRXDYDNUSA-N 2 0 339.524 3.288 20 0 EGADRP CC[NH+](CC)CCSCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000505577535 312026827 /nfs/dbraw/zinc/02/68/27/312026827.db2.gz XRQUOXQOULMSMV-UHFFFAOYSA-N 2 0 335.561 3.274 20 0 EGADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000507471480 312073793 /nfs/dbraw/zinc/07/37/93/312073793.db2.gz PHGLOQILCQLUII-INIZCTEOSA-N 2 0 327.472 3.435 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000508034518 312087510 /nfs/dbraw/zinc/08/75/10/312087510.db2.gz GKNIJKFPBLGXHJ-IBGZPJMESA-N 2 0 348.535 3.050 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722202 312100957 /nfs/dbraw/zinc/10/09/57/312100957.db2.gz RLASPVPVOSFYOW-SESVDKBCSA-N 2 0 329.532 3.361 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510542846 312142952 /nfs/dbraw/zinc/14/29/52/312142952.db2.gz CLHLHBVSCFDZMZ-NUJGCVRESA-N 2 0 333.520 3.269 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510542843 312143116 /nfs/dbraw/zinc/14/31/16/312143116.db2.gz CLHLHBVSCFDZMZ-JFIYKMOQSA-N 2 0 333.520 3.269 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000512610537 312189996 /nfs/dbraw/zinc/18/99/96/312189996.db2.gz BYQNKVYYFAFFQG-UWHLTILDSA-N 2 0 328.500 3.303 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512649840 312190939 /nfs/dbraw/zinc/19/09/39/312190939.db2.gz UYAAOZGSXINMKW-PFAUGDHASA-N 2 0 328.500 3.180 20 0 EGADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000514856399 312249657 /nfs/dbraw/zinc/24/96/57/312249657.db2.gz ZFTAJHFSMAJWQK-LAUBAEHRSA-N 2 0 339.483 3.052 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000515302045 312275036 /nfs/dbraw/zinc/27/50/36/312275036.db2.gz INBOLSGTUGVFTM-GOSISDBHSA-N 2 0 346.519 3.155 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000516550635 312328717 /nfs/dbraw/zinc/32/87/17/312328717.db2.gz DTKWRAYBSYBRQZ-XUJVJEKNSA-N 2 0 343.393 3.153 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000516550632 312328766 /nfs/dbraw/zinc/32/87/66/312328766.db2.gz DTKWRAYBSYBRQZ-LALPHHSUSA-N 2 0 343.393 3.153 20 0 EGADRP CN(C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000516767565 312340752 /nfs/dbraw/zinc/34/07/52/312340752.db2.gz GRRJAYUCGCNPSN-GOSISDBHSA-N 2 0 331.504 3.060 20 0 EGADRP OCCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517918686 312398128 /nfs/dbraw/zinc/39/81/28/312398128.db2.gz HUTHICCFYUMSCM-WIYYLYMNSA-N 2 0 344.499 3.165 20 0 EGADRP Fc1cc2c(cc1Cl)[C@H]([NH2+]CCCC[NH+]1CCOCC1)CC2 ZINC000527855397 312958627 /nfs/dbraw/zinc/95/86/27/312958627.db2.gz XKBMOYJWDPVGJR-QGZVFWFLSA-N 2 0 326.843 3.168 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC000529611393 313368681 /nfs/dbraw/zinc/36/86/81/313368681.db2.gz KBRGUCROFBRCDW-UHFFFAOYSA-N 2 0 340.515 3.160 20 0 EGADRP COc1ccc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)cn1 ZINC000529688782 313387621 /nfs/dbraw/zinc/38/76/21/313387621.db2.gz LBRVCWQBKKAOES-FQEVSTJZSA-N 2 0 338.455 3.195 20 0 EGADRP COc1cc(OC)c(C2CC[NH+](C3CCC([NH3+])CC3)CC2)c(OC)c1 ZINC000530214923 313498105 /nfs/dbraw/zinc/49/81/05/313498105.db2.gz YYSXXMHODZCHSH-UHFFFAOYSA-N 2 0 348.487 3.162 20 0 EGADRP CCC[C@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000535378525 314044028 /nfs/dbraw/zinc/04/40/28/314044028.db2.gz OFVFDGOEYTYPEF-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000537992213 314222609 /nfs/dbraw/zinc/22/26/09/314222609.db2.gz ZPPRDXPHCNKQRM-YHBROIRLSA-N 2 0 343.559 3.388 20 0 EGADRP C[C@@H](C[NH2+]CC1(O)CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000538419253 314246080 /nfs/dbraw/zinc/24/60/80/314246080.db2.gz HLOBLTQPYDABCO-QGZVFWFLSA-N 2 0 332.532 3.209 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c2ccccc2)CC1 ZINC000538862142 314280548 /nfs/dbraw/zinc/28/05/48/314280548.db2.gz UBVIKFGWSJMVDX-ZRBLBEILSA-N 2 0 349.522 3.368 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000539405792 314312203 /nfs/dbraw/zinc/31/22/03/314312203.db2.gz MVVKHJQZNBPPSN-UNMCSNQZSA-N 2 0 343.559 3.356 20 0 EGADRP CCc1[nH+]c2ccccc2c(NC2CC[NH+](CCCOC)CC2)c1C ZINC000548774646 315045814 /nfs/dbraw/zinc/04/58/14/315045814.db2.gz VAEGPDNXXSLTHG-UHFFFAOYSA-N 2 0 341.499 3.440 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC000548844640 315054529 /nfs/dbraw/zinc/05/45/29/315054529.db2.gz UXRAANGXDQDNTI-KRWDZBQOSA-N 2 0 333.495 3.161 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@]3(C)CCCO3)CC2)cc1 ZINC000550644521 315131181 /nfs/dbraw/zinc/13/11/81/315131181.db2.gz SPZDBEXWJSJKEP-UTKZUKDTSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550919008 315137916 /nfs/dbraw/zinc/13/79/16/315137916.db2.gz CBHDIGMGMJTNEY-IIDMSEBBSA-N 2 0 348.560 3.372 20 0 EGADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552551839 315224915 /nfs/dbraw/zinc/22/49/15/315224915.db2.gz ZFURATYNYICGPW-ICSRJNTNSA-N 2 0 343.515 3.181 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000554112310 315298745 /nfs/dbraw/zinc/29/87/45/315298745.db2.gz PCCSMCKYMGXREG-JKSUJKDBSA-N 2 0 332.492 3.209 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC000558598193 315581479 /nfs/dbraw/zinc/58/14/79/315581479.db2.gz XUTCTBGYVCNFNT-UHFFFAOYSA-N 2 0 347.522 3.421 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000560002391 315654080 /nfs/dbraw/zinc/65/40/80/315654080.db2.gz HNNVCKVYOXOMDV-LEWJYISDSA-N 2 0 329.532 3.487 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000562592402 315856505 /nfs/dbraw/zinc/85/65/05/315856505.db2.gz DWXPEWOZKNIAKA-RTWAWAEBSA-N 2 0 329.532 3.488 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000564096010 316112582 /nfs/dbraw/zinc/11/25/82/316112582.db2.gz DAQMFACJGHJLBC-MELADBBJSA-N 2 0 332.410 3.100 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000564200671 316122403 /nfs/dbraw/zinc/12/24/03/316122403.db2.gz LBRCWSMJAAGVKJ-GFCCVEGCSA-N 2 0 346.256 3.330 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000564576069 316170123 /nfs/dbraw/zinc/17/01/23/316170123.db2.gz LPIJEDRATSEEKW-UHFFFAOYSA-N 2 0 332.532 3.436 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000564973723 316240165 /nfs/dbraw/zinc/24/01/65/316240165.db2.gz PHKRBNCQWCQCLU-OLZOCXBDSA-N 2 0 334.895 3.417 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000565410147 316320674 /nfs/dbraw/zinc/32/06/74/316320674.db2.gz YEIJQQCCWXDDJE-OALUTQOASA-N 2 0 347.466 3.294 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000565444518 316325102 /nfs/dbraw/zinc/32/51/02/316325102.db2.gz QUBPGMAQQXBSAX-RYUDHWBXSA-N 2 0 331.273 3.449 20 0 EGADRP [NH3+]C1(c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)CCCCC1 ZINC000568871231 316834941 /nfs/dbraw/zinc/83/49/41/316834941.db2.gz YHTOOINHZYCDTP-UHFFFAOYSA-N 2 0 326.444 3.451 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000571410138 317196045 /nfs/dbraw/zinc/19/60/45/317196045.db2.gz GFYQSRZHEIMOGZ-UHFFFAOYSA-N 2 0 337.467 3.500 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000571785984 317247923 /nfs/dbraw/zinc/24/79/23/317247923.db2.gz QHTCJAVUDKNOHF-MRXNPFEDSA-N 2 0 339.483 3.091 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000571789568 317248067 /nfs/dbraw/zinc/24/80/67/317248067.db2.gz RRZLQTDFNQLFBF-HNAYVOBHSA-N 2 0 329.488 3.293 20 0 EGADRP CC[NH+](CC)CCCC1CCN(c2ncnc(N)c2Cl)CC1 ZINC000192354121 455594560 /nfs/dbraw/zinc/59/45/60/455594560.db2.gz GKMZTFPOHRXKLQ-UHFFFAOYSA-N 2 0 325.888 3.051 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000261946446 455975299 /nfs/dbraw/zinc/97/52/99/455975299.db2.gz MIPSSRMQTHUBKY-LLVKDONJSA-N 2 0 344.286 3.381 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c(Cl)c2)C[C@H](C)O1 ZINC000179075475 323367607 /nfs/dbraw/zinc/36/76/07/323367607.db2.gz ZSTZVOHCCLEPRT-KBPBESRZSA-N 2 0 328.859 3.458 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000382749209 324252585 /nfs/dbraw/zinc/25/25/85/324252585.db2.gz YOFLFDQSTYTUQL-RLLQIKCJSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385799532 324263256 /nfs/dbraw/zinc/26/32/56/324263256.db2.gz DZCDFZUBHWQKLI-APWZRJJASA-N 2 0 338.451 3.416 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1Br ZINC000388769631 324277186 /nfs/dbraw/zinc/27/71/86/324277186.db2.gz OWRFGHAVVQOIAW-NEPJUHHUSA-N 2 0 329.282 3.306 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000395021709 324292887 /nfs/dbraw/zinc/29/28/87/324292887.db2.gz RRLMGXCUCZEKKM-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CCc1cc(NCC2(SC)CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000576873229 324697335 /nfs/dbraw/zinc/69/73/35/324697335.db2.gz LFVCVCPTROTVFC-UHFFFAOYSA-N 2 0 329.513 3.458 20 0 EGADRP Cc1nc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080301 325200857 /nfs/dbraw/zinc/20/08/57/325200857.db2.gz CBLMQMRGTWVYKQ-CABCVRRESA-N 2 0 331.847 3.345 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000580332162 325236646 /nfs/dbraw/zinc/23/66/46/325236646.db2.gz HCIBYKHVSNICEM-FXAWDEMLSA-N 2 0 343.515 3.190 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000581298876 325350370 /nfs/dbraw/zinc/35/03/70/325350370.db2.gz CMKRNDYIOZCGPL-UHFFFAOYSA-N 2 0 334.423 3.077 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353960167 456980716 /nfs/dbraw/zinc/98/07/16/456980716.db2.gz UORRXGMUHXICGW-LSDHHAIUSA-N 2 0 336.442 3.446 20 0 EGADRP Cc1cncc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000189917539 455253391 /nfs/dbraw/zinc/25/33/91/455253391.db2.gz LHIVMFIYUSRHOG-QZTJIDSGSA-N 2 0 331.504 3.101 20 0 EGADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)c2)nc1 ZINC000631890076 460589363 /nfs/dbraw/zinc/58/93/63/460589363.db2.gz LZGPKANBJQLHIP-GHTZIAJQSA-N 2 0 337.467 3.235 20 0 EGADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)c2)nc1 ZINC000631890077 460589665 /nfs/dbraw/zinc/58/96/65/460589665.db2.gz LZGPKANBJQLHIP-NQIIRXRSSA-N 2 0 337.467 3.235 20 0 EGADRP CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000181744921 455378419 /nfs/dbraw/zinc/37/84/19/455378419.db2.gz BAVXAPHSVQFMPB-PKOBYXMFSA-N 2 0 331.504 3.036 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000076158130 453973760 /nfs/dbraw/zinc/97/37/60/453973760.db2.gz JUSALGJCGGRSBK-UHFFFAOYSA-N 2 0 325.456 3.105 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523761 454064201 /nfs/dbraw/zinc/06/42/01/454064201.db2.gz HNUZPZOZTHPHHY-OAHLLOKOSA-N 2 0 328.460 3.461 20 0 EGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000056522292 454064334 /nfs/dbraw/zinc/06/43/34/454064334.db2.gz XRRHCKDIAUQPPC-QGZVFWFLSA-N 2 0 344.421 3.403 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000044292275 454095467 /nfs/dbraw/zinc/09/54/67/454095467.db2.gz RJQSSTQAEYSDEI-INIZCTEOSA-N 2 0 346.500 3.234 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000246034438 455416091 /nfs/dbraw/zinc/41/60/91/455416091.db2.gz WJPVEGQXCUASKP-XJKSGUPXSA-N 2 0 340.309 3.181 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669158 454175401 /nfs/dbraw/zinc/17/54/01/454175401.db2.gz JJYZDLZZTSUSQX-ZBFHGGJFSA-N 2 0 330.501 3.068 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669477 454175453 /nfs/dbraw/zinc/17/54/53/454175453.db2.gz PKAAOJGSUNCPFC-VYDXJSESSA-N 2 0 344.528 3.456 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1C ZINC000071920163 454257556 /nfs/dbraw/zinc/25/75/56/454257556.db2.gz DKAWDFZZKLFVBV-SFHVURJKSA-N 2 0 346.519 3.183 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)CCC2 ZINC000090400739 454299930 /nfs/dbraw/zinc/29/99/30/454299930.db2.gz SWMAXHHNVSSTPR-OAQYLSRUSA-N 2 0 329.532 3.415 20 0 EGADRP Cc1cc2ncc([C@H](C)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C)n2n1 ZINC000120548700 454316767 /nfs/dbraw/zinc/31/67/67/454316767.db2.gz DJDXQEVRMUTGED-ZDUSSCGKSA-N 2 0 329.492 3.306 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000090586754 454324010 /nfs/dbraw/zinc/32/40/10/454324010.db2.gz WXOXMPJTBXPOQO-IBGZPJMESA-N 2 0 344.547 3.004 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000132409793 454336874 /nfs/dbraw/zinc/33/68/74/454336874.db2.gz QXNCQEAQBKSRIK-CZAAIQMYSA-N 2 0 347.522 3.311 20 0 EGADRP O=C(NCCC[NH+]1CCCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072816644 454345428 /nfs/dbraw/zinc/34/54/28/454345428.db2.gz NTJDJMLRFVBTJJ-UHFFFAOYSA-N 2 0 338.455 3.431 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCC2 ZINC000090936955 454351655 /nfs/dbraw/zinc/35/16/55/454351655.db2.gz PBOAHBIYDCGRBV-MRXNPFEDSA-N 2 0 339.483 3.362 20 0 EGADRP Cc1cnccc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000120875027 454359079 /nfs/dbraw/zinc/35/90/79/454359079.db2.gz PARDJHLUIGEOAV-MRXNPFEDSA-N 2 0 326.444 3.422 20 0 EGADRP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000079303769 454395161 /nfs/dbraw/zinc/39/51/61/454395161.db2.gz QFBNXRVRGUJYTN-MSOLQXFVSA-N 2 0 345.531 3.311 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000121266177 454413594 /nfs/dbraw/zinc/41/35/94/454413594.db2.gz VDEFQTOFLUVHBL-CABCVRRESA-N 2 0 341.902 3.403 20 0 EGADRP COc1ccc([C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000091283666 454421820 /nfs/dbraw/zinc/42/18/20/454421820.db2.gz LBIQLNBHBCYKJK-FQEVSTJZSA-N 2 0 333.520 3.008 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000121423678 454433629 /nfs/dbraw/zinc/43/36/29/454433629.db2.gz VEWQYDFAAFIBEO-KGLIPLIRSA-N 2 0 348.878 3.488 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101950924 454488215 /nfs/dbraw/zinc/48/82/15/454488215.db2.gz ZHEDRQANLHMOHR-WCIQWLHISA-N 2 0 349.563 3.218 20 0 EGADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000121891046 454490174 /nfs/dbraw/zinc/49/01/74/454490174.db2.gz DNEMYJSEKTYSLZ-MGPUTAFESA-N 2 0 326.484 3.463 20 0 EGADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564887 454498520 /nfs/dbraw/zinc/49/85/20/454498520.db2.gz VKOUCLUCMVBGBR-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000079926929 454499654 /nfs/dbraw/zinc/49/96/54/454499654.db2.gz VYKIFLCYIIEJCK-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP CCC(CC)[C@@H](O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134148215 454508358 /nfs/dbraw/zinc/50/83/58/454508358.db2.gz JRLKUXHKNBEHCK-NRFANRHFSA-N 2 0 347.547 3.104 20 0 EGADRP COc1ccc2oc(C[NH2+]CCCN3C[C@@H](C)O[C@@H](C)C3)cc2c1 ZINC000123026763 454593233 /nfs/dbraw/zinc/59/32/33/454593233.db2.gz BZYQWKRDGXPUOJ-GASCZTMLSA-N 2 0 332.444 3.030 20 0 EGADRP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000634994369 460644720 /nfs/dbraw/zinc/64/47/20/460644720.db2.gz ALWFOEHZIBDWAH-ROUUACIJSA-N 2 0 336.483 3.152 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000123448356 454638511 /nfs/dbraw/zinc/63/85/11/454638511.db2.gz LCCQBHJESKFHEO-GASCZTMLSA-N 2 0 345.512 3.351 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@H](C)C1 ZINC000123518116 454646312 /nfs/dbraw/zinc/64/63/12/454646312.db2.gz CBIIHKVJSIIOFP-DNVCBOLYSA-N 2 0 326.488 3.309 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCCC[C@H]2CC)CC1 ZINC000052208967 454660575 /nfs/dbraw/zinc/66/05/75/454660575.db2.gz BCZYTQDCSXGSDN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c(n1)CCCC3)CCCO2 ZINC000152740561 454719118 /nfs/dbraw/zinc/71/91/18/454719118.db2.gz HSHZQIJUPWQGQZ-GOSISDBHSA-N 2 0 341.455 3.274 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000161797167 454724606 /nfs/dbraw/zinc/72/46/06/454724606.db2.gz XFVIFJYUOPKJOJ-KRWDZBQOSA-N 2 0 327.476 3.040 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC)cc1 ZINC000124409170 454728940 /nfs/dbraw/zinc/72/89/40/454728940.db2.gz NFJVVWQMBDBTNT-HXUWFJFHSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000124816928 454772923 /nfs/dbraw/zinc/77/29/23/454772923.db2.gz DIKYXQXVOAKZGW-QRWLVFNGSA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000635011578 460653693 /nfs/dbraw/zinc/65/36/93/460653693.db2.gz QYJLOGVNFWHAJC-AVRDEDQJSA-N 2 0 349.522 3.475 20 0 EGADRP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000137587715 454783022 /nfs/dbraw/zinc/78/30/22/454783022.db2.gz LZJLEAFIJCTGEF-LJQANCHMSA-N 2 0 343.515 3.440 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1NC(C)=O ZINC000635010720 460654493 /nfs/dbraw/zinc/65/44/93/460654493.db2.gz KZXKTGDSDWFRLC-XJKSGUPXSA-N 2 0 333.476 3.082 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000108372330 454794999 /nfs/dbraw/zinc/79/49/99/454794999.db2.gz VYCISEPBVGEHMV-VAMGGRTRSA-N 2 0 332.463 3.171 20 0 EGADRP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)CC2)n1 ZINC000125774154 454845592 /nfs/dbraw/zinc/84/55/92/454845592.db2.gz HXQKBPRHLCGKNA-MRXNPFEDSA-N 2 0 336.549 3.130 20 0 EGADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000177426485 454862311 /nfs/dbraw/zinc/86/23/11/454862311.db2.gz VYZDIIVUVNZLDJ-MSOLQXFVSA-N 2 0 345.531 3.263 20 0 EGADRP CN(c1ccccc1C[NH2+]C1CCSCC1)C1CC[NH+](C)CC1 ZINC000177577949 454879608 /nfs/dbraw/zinc/87/96/08/454879608.db2.gz ILBZLFUYBZONIU-UHFFFAOYSA-N 2 0 333.545 3.202 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780188 454891266 /nfs/dbraw/zinc/89/12/66/454891266.db2.gz RKSSTCSTLVVZGA-LSDHHAIUSA-N 2 0 335.879 3.085 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000154551879 454906644 /nfs/dbraw/zinc/90/66/44/454906644.db2.gz UCUJPLZFFGERBJ-OXJNMPFZSA-N 2 0 333.495 3.066 20 0 EGADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1F ZINC000150962584 454918684 /nfs/dbraw/zinc/91/86/84/454918684.db2.gz PXTGIOQREQBZMR-SFHVURJKSA-N 2 0 325.447 3.032 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc2c(s1)CCCC2 ZINC000150968839 454919423 /nfs/dbraw/zinc/91/94/23/454919423.db2.gz UALHYMZCQNVLRQ-HNNXBMFYSA-N 2 0 335.561 3.304 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CSCCc3ccccc32)C[C@H](C)O1 ZINC000178039581 454929640 /nfs/dbraw/zinc/92/96/40/454929640.db2.gz KAPDSUHAWGLRGJ-FUHIMQAGSA-N 2 0 348.556 3.496 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000151120103 454940924 /nfs/dbraw/zinc/94/09/24/454940924.db2.gz CRGOLICRHGGMCK-IRXDYDNUSA-N 2 0 329.488 3.196 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000127206486 454945109 /nfs/dbraw/zinc/94/51/09/454945109.db2.gz HTYTZQPVWWRSCI-AZUAARDMSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114469815 454955302 /nfs/dbraw/zinc/95/53/02/454955302.db2.gz CGGYQRVFRWHDGG-OAQYLSRUSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000127512829 454972316 /nfs/dbraw/zinc/97/23/16/454972316.db2.gz ZBCBIOVYHXALLH-QWRGUYRKSA-N 2 0 336.332 3.341 20 0 EGADRP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC(C)C ZINC000114725383 454973745 /nfs/dbraw/zinc/97/37/45/454973745.db2.gz HNKVEFMRWMVMFN-UHFFFAOYSA-N 2 0 349.544 3.152 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@H](C)C1 ZINC000127999548 455017115 /nfs/dbraw/zinc/01/71/15/455017115.db2.gz YGMMOKWMEAUPJP-CRAIPNDOSA-N 2 0 332.492 3.036 20 0 EGADRP Brc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000128113765 455026642 /nfs/dbraw/zinc/02/66/42/455026642.db2.gz ZCOUMQSWDNKCGA-HUUCEWRRSA-N 2 0 339.277 3.044 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000155659707 455027545 /nfs/dbraw/zinc/02/75/45/455027545.db2.gz DYYRKEYJZNDELO-XLIONFOSSA-N 2 0 335.511 3.008 20 0 EGADRP COc1cccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179389161 455043551 /nfs/dbraw/zinc/04/35/51/455043551.db2.gz GJJSJPRONNXTEB-UHFFFAOYSA-N 2 0 340.471 3.224 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000151914028 455048185 /nfs/dbraw/zinc/04/81/85/455048185.db2.gz XFGLSTYZKFGXBZ-SFHVURJKSA-N 2 0 327.472 3.138 20 0 EGADRP CC(C)[NH+](CCC[NH2+]C1CCN(Cc2cccnc2)CC1)C(C)C ZINC000155847136 455052749 /nfs/dbraw/zinc/05/27/49/455052749.db2.gz ZLRYKIXBZKVWHX-UHFFFAOYSA-N 2 0 332.536 3.145 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CN(C)Cc2ccccc2)cc1 ZINC000152019934 455062403 /nfs/dbraw/zinc/06/24/03/455062403.db2.gz AITMKHNFQJAKBN-FQEVSTJZSA-N 2 0 339.483 3.058 20 0 EGADRP C[C@H]([NH2+]CCN1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000155998053 455070786 /nfs/dbraw/zinc/07/07/86/455070786.db2.gz HROCCSVKITVFRV-SFHVURJKSA-N 2 0 333.520 3.010 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000129073522 455096505 /nfs/dbraw/zinc/09/65/05/455096505.db2.gz KJQMWVCPKKZYDY-PBWTXFEYSA-N 2 0 333.495 3.421 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1F ZINC000180060970 455125308 /nfs/dbraw/zinc/12/53/08/455125308.db2.gz SMEKHXVQTINSAC-LJQANCHMSA-N 2 0 342.462 3.213 20 0 EGADRP CC1(C)[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@@H]2CCO[C@@H]21 ZINC000180167242 455143771 /nfs/dbraw/zinc/14/37/71/455143771.db2.gz LGWGMPBKMLWYLR-OLGWUGKESA-N 2 0 340.511 3.300 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cccc(F)c1 ZINC000157088420 455164150 /nfs/dbraw/zinc/16/41/50/455164150.db2.gz XLOOUEBTGIABRQ-GOSISDBHSA-N 2 0 333.451 3.105 20 0 EGADRP O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)NCCC1CCCCC1 ZINC000157103579 455165213 /nfs/dbraw/zinc/16/52/13/455165213.db2.gz ZCYCLWDCRJBVFM-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1Br ZINC000157109456 455165647 /nfs/dbraw/zinc/16/56/47/455165647.db2.gz NEWYWOUJVVPAPZ-UHFFFAOYSA-N 2 0 341.293 3.087 20 0 EGADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000237367568 455178374 /nfs/dbraw/zinc/17/83/74/455178374.db2.gz HTXQYDQSJKIGKW-BEFAXECRSA-N 2 0 331.504 3.051 20 0 EGADRP Cc1ccccc1[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000180485148 455179922 /nfs/dbraw/zinc/17/99/22/455179922.db2.gz VVEPSBLJUBKMCH-JOCHJYFZSA-N 2 0 338.495 3.378 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1 ZINC000237519464 455191030 /nfs/dbraw/zinc/19/10/30/455191030.db2.gz SVOUPBMETWTWAE-KRWDZBQOSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)(C)[N@H+](CCCn1ccnc1)CC(=O)Nc1ccc(F)cc1 ZINC000182954128 455198129 /nfs/dbraw/zinc/19/81/29/455198129.db2.gz ZTSZJHZQJGIQTP-UHFFFAOYSA-N 2 0 332.423 3.152 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc12 ZINC000237680681 455206579 /nfs/dbraw/zinc/20/65/79/455206579.db2.gz OZWNONPLGCTTER-IYBDPMFKSA-N 2 0 343.519 3.124 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000264770701 455280514 /nfs/dbraw/zinc/28/05/14/455280514.db2.gz RAEBKHLLNNVEPN-GOSISDBHSA-N 2 0 346.446 3.412 20 0 EGADRP COc1ccc([C@H](C)NC2CC[NH+](C)CC2)c(Br)c1 ZINC000181417566 455332103 /nfs/dbraw/zinc/33/21/03/455332103.db2.gz DRCQIZLOBFCGFC-NSHDSACASA-N 2 0 327.266 3.203 20 0 EGADRP COc1ccc([C@@H](C)NC2CC[NH+](C)CC2)c(Br)c1 ZINC000181417584 455332118 /nfs/dbraw/zinc/33/21/18/455332118.db2.gz DRCQIZLOBFCGFC-LLVKDONJSA-N 2 0 327.266 3.203 20 0 EGADRP C[C@H]1CCCN1C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158977547 455343001 /nfs/dbraw/zinc/34/30/01/455343001.db2.gz DAFZFGGPVLPMCJ-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000159003477 455344853 /nfs/dbraw/zinc/34/48/53/455344853.db2.gz DNJSZCZPOJJRHU-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000245649824 455347745 /nfs/dbraw/zinc/34/77/45/455347745.db2.gz HAMLVPAWUCXOHU-LEWJYISDSA-N 2 0 329.532 3.282 20 0 EGADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000184347421 455372855 /nfs/dbraw/zinc/37/28/55/455372855.db2.gz HABKLGAGASVULX-QGZVFWFLSA-N 2 0 339.483 3.198 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000174553543 455402421 /nfs/dbraw/zinc/40/24/21/455402421.db2.gz MJPKCAKSJMBRCI-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000190909546 455403385 /nfs/dbraw/zinc/40/33/85/455403385.db2.gz DWBMOHUGKDLOND-UHFFFAOYSA-N 2 0 347.532 3.096 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H](NCc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000246069612 455421398 /nfs/dbraw/zinc/42/13/98/455421398.db2.gz DVAWHFXVBYNVNO-FXAWDEMLSA-N 2 0 341.499 3.461 20 0 EGADRP Cc1nn(C)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246091499 455423988 /nfs/dbraw/zinc/42/39/88/455423988.db2.gz IPUAPVBFJIGATP-PZJWPPBQSA-N 2 0 338.499 3.215 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000246280911 455463698 /nfs/dbraw/zinc/46/36/98/455463698.db2.gz MNSSELGJCOKCQR-AQNXPRMDSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182266349 455477006 /nfs/dbraw/zinc/47/70/06/455477006.db2.gz VGZKJVPYRFQEAH-QGCDCVKKSA-N 2 0 336.479 3.276 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000246366853 455477495 /nfs/dbraw/zinc/47/74/95/455477495.db2.gz IZQURMMKYTYKMZ-DZGCQCFKSA-N 2 0 330.394 3.404 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000267235143 455521420 /nfs/dbraw/zinc/52/14/20/455521420.db2.gz ALLOMWZTEOVJHO-PMACEKPBSA-N 2 0 343.515 3.275 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000246833520 455528296 /nfs/dbraw/zinc/52/82/96/455528296.db2.gz APOYIZGDHJOBPO-CBGDNZLLSA-N 2 0 347.522 3.312 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182646540 455559851 /nfs/dbraw/zinc/55/98/51/455559851.db2.gz QNPIHLBIRZJPER-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247210960 455573123 /nfs/dbraw/zinc/57/31/23/455573123.db2.gz CJJSENGFGMBAST-FUHWJXTLSA-N 2 0 331.504 3.382 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247207801 455573494 /nfs/dbraw/zinc/57/34/94/455573494.db2.gz WUJFNBHVTFPXEF-DEPCRRQNSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000247231384 455576230 /nfs/dbraw/zinc/57/62/30/455576230.db2.gz YHYVEJUPXMVAEM-GHTZIAJQSA-N 2 0 329.532 3.013 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000182788441 455586992 /nfs/dbraw/zinc/58/69/92/455586992.db2.gz HADNVOFMFLSHRH-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC000247332117 455588858 /nfs/dbraw/zinc/58/88/58/455588858.db2.gz MQPNNBMIWNRHRA-HLIPFELVSA-N 2 0 334.504 3.483 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000268073715 455589048 /nfs/dbraw/zinc/58/90/48/455589048.db2.gz DIYRQWYQJVGMMW-CQSZACIVSA-N 2 0 325.522 3.050 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000268078109 455589794 /nfs/dbraw/zinc/58/97/94/455589794.db2.gz FMUYYZHQHNNGES-UHFFFAOYSA-N 2 0 337.533 3.194 20 0 EGADRP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2c[nH+]cn2c1 ZINC000283797417 455595133 /nfs/dbraw/zinc/59/51/33/455595133.db2.gz GNFNEZQFGWSELS-ICSRJNTNSA-N 2 0 346.434 3.091 20 0 EGADRP C[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705662 455601253 /nfs/dbraw/zinc/60/12/53/455601253.db2.gz JOHLDQXYYIGYRP-FGTMMUONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)c1nccn1CC(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000635116410 460681477 /nfs/dbraw/zinc/68/14/77/460681477.db2.gz GOIJDYSXQWHSKK-MRXNPFEDSA-N 2 0 348.878 3.079 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000284064480 455630356 /nfs/dbraw/zinc/63/03/56/455630356.db2.gz KZVDMOQXUVQLFB-IBGZPJMESA-N 2 0 346.544 3.471 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(N2CCOCC2)c1 ZINC000271435838 455635771 /nfs/dbraw/zinc/63/57/71/455635771.db2.gz FMVBCQUHJPDNGX-QGZVFWFLSA-N 2 0 345.531 3.437 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000248022553 455672046 /nfs/dbraw/zinc/67/20/46/455672046.db2.gz OCAPAWGROOCEQG-XEYPJELSSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000268408223 455674438 /nfs/dbraw/zinc/67/44/38/455674438.db2.gz GOVFTCNHWRBFHY-UHFFFAOYSA-N 2 0 346.515 3.333 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000271553198 455681722 /nfs/dbraw/zinc/68/17/22/455681722.db2.gz VGXORQMKGZDSJK-VAMGGRTRSA-N 2 0 332.463 3.171 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)CC1 ZINC000192741475 455682674 /nfs/dbraw/zinc/68/26/74/455682674.db2.gz SOZAFGXUZWRWMZ-CTNGQTDRSA-N 2 0 329.532 3.281 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000268442950 455684812 /nfs/dbraw/zinc/68/48/12/455684812.db2.gz DECNYDRTCXQBHN-YZGWKJHDSA-N 2 0 345.531 3.084 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC1CC[NH+](C)CC1)CCC2 ZINC000192830529 455702051 /nfs/dbraw/zinc/70/20/51/455702051.db2.gz VPNLTTUPLJSITN-MRXNPFEDSA-N 2 0 348.487 3.464 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000284714407 455730474 /nfs/dbraw/zinc/73/04/74/455730474.db2.gz FICLKZVDAOCOHT-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616995206 460693105 /nfs/dbraw/zinc/69/31/05/460693105.db2.gz NAPUBBMUUQOJMD-HKUYNNGSSA-N 2 0 345.531 3.306 20 0 EGADRP COc1ccncc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292779739 455755866 /nfs/dbraw/zinc/75/58/66/455755866.db2.gz TZMVWJOVBYLCJG-VQIMIIECSA-N 2 0 325.456 3.233 20 0 EGADRP COCCC[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000269002319 455759213 /nfs/dbraw/zinc/75/92/13/455759213.db2.gz UZNYBVDAZSVWCH-IBGZPJMESA-N 2 0 348.531 3.462 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000271829335 455778685 /nfs/dbraw/zinc/77/86/85/455778685.db2.gz RLBSPPUYHCIWOR-WBVHZDCISA-N 2 0 331.460 3.168 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000186573602 455796507 /nfs/dbraw/zinc/79/65/07/455796507.db2.gz PCYXGBRLGNQFJR-KDOFPFPSSA-N 2 0 325.447 3.032 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186576797 455796888 /nfs/dbraw/zinc/79/68/88/455796888.db2.gz JJZLVSYJGSIYRV-WBVHZDCISA-N 2 0 329.488 3.418 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285200276 455803649 /nfs/dbraw/zinc/80/36/49/455803649.db2.gz WOESMEHXGXIMSX-GOSISDBHSA-N 2 0 343.515 3.020 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000269185837 455807540 /nfs/dbraw/zinc/80/75/40/455807540.db2.gz SOJMGNIKPQJZJE-QGZVFWFLSA-N 2 0 345.512 3.363 20 0 EGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCCCC[NH3+] ZINC000269278668 455826113 /nfs/dbraw/zinc/82/61/13/455826113.db2.gz YYFGAIIELABEIB-FQEVSTJZSA-N 2 0 345.531 3.266 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409137 455839801 /nfs/dbraw/zinc/83/98/01/455839801.db2.gz DABVKKQUFOCKKK-FGZHOGPDSA-N 2 0 336.479 3.318 20 0 EGADRP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285455730 455848591 /nfs/dbraw/zinc/84/85/91/455848591.db2.gz JLJLSGPTVDNVKV-IUPYZPJSSA-N 2 0 338.495 3.300 20 0 EGADRP C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000296226870 455885921 /nfs/dbraw/zinc/88/59/21/455885921.db2.gz CCDUKPUAOMDDTO-MRXNPFEDSA-N 2 0 343.515 3.208 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296277037 455897719 /nfs/dbraw/zinc/89/77/19/455897719.db2.gz DWOILMNIZZBLHU-AWEZNQCLSA-N 2 0 333.501 3.285 20 0 EGADRP CCn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000285716263 455902750 /nfs/dbraw/zinc/90/27/50/455902750.db2.gz PXJNLASXJIAERW-PCCBWWKXSA-N 2 0 338.499 3.293 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C)c1 ZINC000285824909 455923604 /nfs/dbraw/zinc/92/36/04/455923604.db2.gz WPLGXVREPPKNAO-FQEVSTJZSA-N 2 0 338.499 3.383 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)CCn1cccn1 ZINC000272380680 455932386 /nfs/dbraw/zinc/93/23/86/455932386.db2.gz UFYMHWBEWPKULG-SFHVURJKSA-N 2 0 344.503 3.172 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H]1C ZINC000280315044 455944631 /nfs/dbraw/zinc/94/46/31/455944631.db2.gz OYIIJQLSNQJLAU-FFZOFVMBSA-N 2 0 344.499 3.350 20 0 EGADRP COc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@H](C)C2CC2)c(OC)c1 ZINC000261768616 455944744 /nfs/dbraw/zinc/94/47/44/455944744.db2.gz DOJGLKTUHCRGMX-OAHLLOKOSA-N 2 0 332.488 3.304 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187770591 455951372 /nfs/dbraw/zinc/95/13/72/455951372.db2.gz QHUITLFAAJMIOL-HLAWJBBLSA-N 2 0 329.532 3.112 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187967259 455974918 /nfs/dbraw/zinc/97/49/18/455974918.db2.gz NAYUFWHYERVDFF-RXVVDRJESA-N 2 0 329.532 3.452 20 0 EGADRP Cc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187982986 455975916 /nfs/dbraw/zinc/97/59/16/455975916.db2.gz KBWKOCLNQNWIMW-GHTZIAJQSA-N 2 0 329.532 3.452 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000188109861 455999320 /nfs/dbraw/zinc/99/93/20/455999320.db2.gz VRGDKHIXHXYVMB-FPOVZHCZSA-N 2 0 329.532 3.112 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)CCC2)c1 ZINC000262132560 456002100 /nfs/dbraw/zinc/00/21/00/456002100.db2.gz OCDZYNWPLPOUCW-APWZRJJASA-N 2 0 332.488 3.051 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262179754 456008331 /nfs/dbraw/zinc/00/83/31/456008331.db2.gz WLOMAUGRQUMSEO-RYUDHWBXSA-N 2 0 345.256 3.026 20 0 EGADRP Clc1c2ccccc2sc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262455163 456037958 /nfs/dbraw/zinc/03/79/58/456037958.db2.gz ICWVSTOXVAPYTH-CYBMUJFWSA-N 2 0 335.904 3.034 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000263012248 456077753 /nfs/dbraw/zinc/07/77/53/456077753.db2.gz PXQZDUBWLLXYAV-UYAOXDASSA-N 2 0 329.488 3.171 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000297007497 456089787 /nfs/dbraw/zinc/08/97/87/456089787.db2.gz PKSNKNYLXLEGQK-INIZCTEOSA-N 2 0 328.378 3.078 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000271004665 456093513 /nfs/dbraw/zinc/09/35/13/456093513.db2.gz KWLJSHVKVJASGN-MSOLQXFVSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263261025 456117713 /nfs/dbraw/zinc/11/77/13/456117713.db2.gz MJOFRGSCLJEZHD-MJIXASBWSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272986035 456135774 /nfs/dbraw/zinc/13/57/74/456135774.db2.gz PMBLWVNEBJWDOC-CABCVRRESA-N 2 0 349.544 3.193 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000297220986 456153986 /nfs/dbraw/zinc/15/39/86/456153986.db2.gz QVZGNLAFSNPJOG-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000236637459 456161661 /nfs/dbraw/zinc/16/16/61/456161661.db2.gz NKWHQCCAGXOUDF-HXUWFJFHSA-N 2 0 329.488 3.247 20 0 EGADRP c1cnc2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2c1 ZINC000271202680 456170325 /nfs/dbraw/zinc/17/03/25/456170325.db2.gz YCRZTYYZMWBIPX-UHFFFAOYSA-N 2 0 339.483 3.312 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000236710045 456172756 /nfs/dbraw/zinc/17/27/56/456172756.db2.gz GNUXBJRITHOWEB-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000297330099 456186883 /nfs/dbraw/zinc/18/68/83/456186883.db2.gz CUGMJMLFRUVUFZ-DABHTEOTSA-N 2 0 348.556 3.396 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273161795 456196637 /nfs/dbraw/zinc/19/66/37/456196637.db2.gz CITYGNZKUJMBCJ-YQVWRLOYSA-N 2 0 345.531 3.322 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236922776 456202306 /nfs/dbraw/zinc/20/23/06/456202306.db2.gz MQINCUJZKFEBNM-FXAWDEMLSA-N 2 0 345.531 3.170 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000281470078 456242250 /nfs/dbraw/zinc/24/22/50/456242250.db2.gz URTPQGGWPFGZOY-UHFFFAOYSA-N 2 0 330.476 3.003 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000237190769 456244103 /nfs/dbraw/zinc/24/41/03/456244103.db2.gz JRVYWQLJZKJMKD-RTBURBONSA-N 2 0 343.446 3.025 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC000237232177 456250827 /nfs/dbraw/zinc/25/08/27/456250827.db2.gz YKYSZTVSHMJKFO-HNNXBMFYSA-N 2 0 334.504 3.487 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000297747211 456285804 /nfs/dbraw/zinc/28/58/04/456285804.db2.gz UAHBPAXFLYIKTP-OALUTQOASA-N 2 0 336.907 3.240 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000297747215 456286108 /nfs/dbraw/zinc/28/61/08/456286108.db2.gz UAHBPAXFLYIKTP-RBUKOAKNSA-N 2 0 336.907 3.240 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CC2CCOCC2)CC3)cc1 ZINC000342873388 456287610 /nfs/dbraw/zinc/28/76/10/456287610.db2.gz LYBWTPBYFSLMFD-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccnn3-c3ccc(F)cc3)C2)CC1 ZINC000290354490 456302381 /nfs/dbraw/zinc/30/23/81/456302381.db2.gz GIXDSLSSCQUKEM-QGZVFWFLSA-N 2 0 342.462 3.175 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340200506 456310505 /nfs/dbraw/zinc/31/05/05/456310505.db2.gz WAPBQPDTDOFFFM-NEYJZJCJSA-N 2 0 346.515 3.343 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000290431941 456327054 /nfs/dbraw/zinc/32/70/54/456327054.db2.gz RSUGZGSLYIVNKI-AWEZNQCLSA-N 2 0 333.501 3.326 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000347776821 456362488 /nfs/dbraw/zinc/36/24/88/456362488.db2.gz LXLPPYHOSJRUCE-HXUWFJFHSA-N 2 0 343.515 3.277 20 0 EGADRP COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000290581971 456372733 /nfs/dbraw/zinc/37/27/33/456372733.db2.gz UQZURXPHKIGNNW-LRDDRELGSA-N 2 0 341.293 3.230 20 0 EGADRP CCO[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298171743 456380004 /nfs/dbraw/zinc/38/00/04/456380004.db2.gz UIPDLSBOOOCWLO-HXUWFJFHSA-N 2 0 325.456 3.418 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000352874012 456381672 /nfs/dbraw/zinc/38/16/72/456381672.db2.gz HLIAUBOTHGOALI-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP Cc1nccn1CC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000282022661 456391598 /nfs/dbraw/zinc/39/15/98/456391598.db2.gz NOUVADJZNNSBAU-UHFFFAOYSA-N 2 0 330.176 3.022 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000290721869 456414111 /nfs/dbraw/zinc/41/41/11/456414111.db2.gz OSLUZWGIICLOAX-LBPRGKRZSA-N 2 0 337.265 3.480 20 0 EGADRP COc1cccc([C@@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)c1 ZINC000298542054 456484830 /nfs/dbraw/zinc/48/48/30/456484830.db2.gz TTZSPPHBRPHSOH-OAQYLSRUSA-N 2 0 343.515 3.049 20 0 EGADRP CSC1(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398399 456436979 /nfs/dbraw/zinc/43/69/79/456436979.db2.gz ZWUGSHABVBNYNJ-OALUTQOASA-N 3 0 347.572 3.239 20 0 EGADRP c1cc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)ccn1 ZINC000340413322 456444909 /nfs/dbraw/zinc/44/49/09/456444909.db2.gz DAXWCWUOOYVEGB-UXHICEINSA-N 2 0 337.467 3.377 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccncc1F ZINC000340476278 456483198 /nfs/dbraw/zinc/48/31/98/456483198.db2.gz SVWDASDCGWFCSO-OAHLLOKOSA-N 2 0 343.446 3.028 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000303325304 456458335 /nfs/dbraw/zinc/45/83/35/456458335.db2.gz BNESIGGCWYAUMX-KRWDZBQOSA-N 2 0 331.504 3.108 20 0 EGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCCO2 ZINC000282267445 456461814 /nfs/dbraw/zinc/46/18/14/456461814.db2.gz KIUXEGYFZFAAGY-LJQANCHMSA-N 2 0 345.531 3.133 20 0 EGADRP CCc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000343271525 456498648 /nfs/dbraw/zinc/49/86/48/456498648.db2.gz RIMKLIJGNILFTH-NRFANRHFSA-N 2 0 341.499 3.310 20 0 EGADRP CSCC[C@@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340534238 456516115 /nfs/dbraw/zinc/51/61/15/456516115.db2.gz KASMUMVGXOJHOB-XBMUEBEBSA-N 2 0 336.545 3.133 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000282466259 456523579 /nfs/dbraw/zinc/52/35/79/456523579.db2.gz OZTAOGZXQYIFLJ-RLLQIKCJSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000353280687 456606162 /nfs/dbraw/zinc/60/61/62/456606162.db2.gz WOXULZGNHUEJES-GJZGRUSLSA-N 2 0 330.463 3.291 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000343438585 456621742 /nfs/dbraw/zinc/62/17/42/456621742.db2.gz FPSDQELLZPYJDP-ZCNNSNEGSA-N 2 0 344.547 3.032 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000343439956 456623680 /nfs/dbraw/zinc/62/36/80/456623680.db2.gz GMIFWZZLGNMXNH-AABGKKOBSA-N 2 0 344.547 3.032 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000348328796 456626760 /nfs/dbraw/zinc/62/67/60/456626760.db2.gz QDGLKHYNVDDPFH-ZVDOUQERSA-N 2 0 345.531 3.293 20 0 EGADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000337997222 456644394 /nfs/dbraw/zinc/64/43/94/456644394.db2.gz LQRKLXRBVYOIBE-ICSRJNTNSA-N 2 0 348.510 3.102 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000338163882 456677038 /nfs/dbraw/zinc/67/70/38/456677038.db2.gz VWAZZDFHSCFLKQ-MSOLQXFVSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC000338179716 456687167 /nfs/dbraw/zinc/68/71/67/456687167.db2.gz DHSQRUVBOWQYTO-IAGOWNOFSA-N 2 0 331.504 3.083 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000343541158 456694832 /nfs/dbraw/zinc/69/48/32/456694832.db2.gz RVXILEUTXMOGLC-BEFAXECRSA-N 2 0 329.488 3.492 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000326511444 456694875 /nfs/dbraw/zinc/69/48/75/456694875.db2.gz AOJHJFNPRHZBKG-GUDVDZBRSA-N 2 0 331.504 3.093 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277217656 456729034 /nfs/dbraw/zinc/72/90/34/456729034.db2.gz XGEPIEBJNAUVSA-SFTDATJTSA-N 2 0 348.506 3.363 20 0 EGADRP CC(C)[C@@H](NC(=O)CN1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277280987 456757861 /nfs/dbraw/zinc/75/78/61/456757861.db2.gz SJNMVDLHMXXGTH-AZUAARDMSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348642894 456796236 /nfs/dbraw/zinc/79/62/36/456796236.db2.gz OCGTUZWGRFQSLL-RCCFBDPRSA-N 2 0 334.504 3.076 20 0 EGADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353626499 456812294 /nfs/dbraw/zinc/81/22/94/456812294.db2.gz IONNICVTUBWYDO-HNNXBMFYSA-N 2 0 338.492 3.239 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353681946 456852081 /nfs/dbraw/zinc/85/20/81/456852081.db2.gz NANCEESASCYAAJ-GUSVMJMASA-N 3 0 329.532 3.359 20 0 EGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000292109351 456857248 /nfs/dbraw/zinc/85/72/48/456857248.db2.gz KBWAGRDVJOGWHH-YJBOKZPZSA-N 2 0 333.520 3.405 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000292123026 456860884 /nfs/dbraw/zinc/86/08/84/456860884.db2.gz KJKJUOLBIVNLCU-MRXNPFEDSA-N 2 0 328.378 3.155 20 0 EGADRP Cc1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc(C2CC2)n1 ZINC000341514823 456872564 /nfs/dbraw/zinc/87/25/64/456872564.db2.gz WBVSTONZBRIXRB-OAHLLOKOSA-N 2 0 328.485 3.395 20 0 EGADRP C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341513987 456872784 /nfs/dbraw/zinc/87/27/84/456872784.db2.gz UYUVXSRZXSFFAB-YLJYHZDGSA-N 2 0 331.504 3.231 20 0 EGADRP C[C@H]1CCCC[C@H]1OCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341513981 456872906 /nfs/dbraw/zinc/87/29/06/456872906.db2.gz UYUVXSRZXSFFAB-FXAWDEMLSA-N 2 0 331.504 3.231 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)[NH+]1CCCCCC1 ZINC000345005896 456894816 /nfs/dbraw/zinc/89/48/16/456894816.db2.gz SOTBYBCWTZIYFF-MKXGPGLRSA-N 2 0 335.536 3.115 20 0 EGADRP CCN1CCN(C(=O)c2ccccc2Oc2ccncc2)[C@H](C)C1 ZINC000341777293 456940053 /nfs/dbraw/zinc/94/00/53/456940053.db2.gz VRYNBWPHRNRIRB-OAHLLOKOSA-N 2 0 325.412 3.040 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000345168212 456951431 /nfs/dbraw/zinc/95/14/31/456951431.db2.gz SPTHVZGMIYKWAY-HLNWXESRSA-N 2 0 326.488 3.018 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)C[C@H]2C)cc1 ZINC000341839346 456966384 /nfs/dbraw/zinc/96/63/84/456966384.db2.gz JJVGGHAFPGPOBN-QGZVFWFLSA-N 2 0 331.504 3.085 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362663748 457033433 /nfs/dbraw/zinc/03/34/33/457033433.db2.gz MANJJPZBCWXFOK-ZIFCJYIRSA-N 2 0 343.515 3.226 20 0 EGADRP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000339280519 457037086 /nfs/dbraw/zinc/03/70/86/457037086.db2.gz HCGAKHQJVRLVMQ-DFQSSKMNSA-N 2 0 345.531 3.086 20 0 EGADRP COc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(C)c1OC ZINC000342062077 457086067 /nfs/dbraw/zinc/08/60/67/457086067.db2.gz OHFOUHBQOOMZDO-UHFFFAOYSA-N 2 0 328.456 3.364 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000339390786 457087890 /nfs/dbraw/zinc/08/78/90/457087890.db2.gz HPDHZDCVCWPHTC-PMACEKPBSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000339408098 457097832 /nfs/dbraw/zinc/09/78/32/457097832.db2.gz PZOITNFDMZXIJW-UHFFFAOYSA-N 2 0 330.394 3.344 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000359669463 457108229 /nfs/dbraw/zinc/10/82/29/457108229.db2.gz DGGHFEFEMKAQQS-NQIIRXRSSA-N 2 0 329.532 3.348 20 0 EGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000346694552 457116458 /nfs/dbraw/zinc/11/64/58/457116458.db2.gz UVBQFOUPMGGQIB-FQEVSTJZSA-N 2 0 327.472 3.466 20 0 EGADRP COC(=O)c1ccc(Cl)c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339435823 457117805 /nfs/dbraw/zinc/11/78/05/457117805.db2.gz DNRIGDJRKYCNAA-SFHVURJKSA-N 2 0 336.863 3.044 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)cn1 ZINC000359709420 457123009 /nfs/dbraw/zinc/12/30/09/457123009.db2.gz XPRLFBLHZAGVGA-UHFFFAOYSA-N 2 0 344.478 3.417 20 0 EGADRP [NH3+]C1(C[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CCC1 ZINC000342144520 457133790 /nfs/dbraw/zinc/13/37/90/457133790.db2.gz UGESKRNQEAMNME-UHFFFAOYSA-N 2 0 339.439 3.279 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362924818 457158866 /nfs/dbraw/zinc/15/88/66/457158866.db2.gz AFMVRNHKRLRHLU-HXUWFJFHSA-N 2 0 328.500 3.456 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CCCC1 ZINC000359959291 457172111 /nfs/dbraw/zinc/17/21/11/457172111.db2.gz RCWGSMSYXWSGGQ-ROUUACIJSA-N 2 0 346.515 3.345 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(C)o1 ZINC000356878340 457193931 /nfs/dbraw/zinc/19/39/31/457193931.db2.gz SRRPTAHGTJLCMY-SFHLNBCPSA-N 2 0 339.483 3.334 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347062638 457211037 /nfs/dbraw/zinc/21/10/37/457211037.db2.gz ZZSJQLSJONHQLP-UZLBHIALSA-N 2 0 340.515 3.416 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC1 ZINC000347087075 457223114 /nfs/dbraw/zinc/22/31/14/457223114.db2.gz DLOTZXAHTATYLN-LLVKDONJSA-N 2 0 340.393 3.151 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000347189409 457279596 /nfs/dbraw/zinc/27/95/96/457279596.db2.gz DJGJDKSJCJKOGU-UHFFFAOYSA-N 2 0 330.394 3.449 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000342419433 457293547 /nfs/dbraw/zinc/29/35/47/457293547.db2.gz JZXRQIRKEDHBGK-ICSRJNTNSA-N 2 0 339.483 3.448 20 0 EGADRP Brc1ccsc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357042546 457294022 /nfs/dbraw/zinc/29/40/22/457294022.db2.gz FDKFVRGJMOZUCQ-GFCCVEGCSA-N 2 0 329.307 3.332 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357045680 457295404 /nfs/dbraw/zinc/29/54/04/457295404.db2.gz IAIPGMLNMXPHOI-KRWDZBQOSA-N 2 0 331.479 3.247 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357045846 457295804 /nfs/dbraw/zinc/29/58/04/457295804.db2.gz VPXQBQJTTWAPOE-AJYBTWMASA-N 2 0 345.531 3.447 20 0 EGADRP CC(C)[C@@H]1C[N@H+](CC[C@H](C)[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339835404 457301055 /nfs/dbraw/zinc/30/10/55/457301055.db2.gz XHKZPHGQFZEBGL-SLFFLAALSA-N 2 0 340.552 3.259 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccnc(OC)c2)CC1)CC1CC1 ZINC000357073018 457307320 /nfs/dbraw/zinc/30/73/20/457307320.db2.gz DVSOPQQKLDMBOA-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1 ZINC000342458202 457314376 /nfs/dbraw/zinc/31/43/76/457314376.db2.gz SOVOCEGIRBPLIS-INIZCTEOSA-N 2 0 345.462 3.445 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1)CC1CC1 ZINC000357086466 457314576 /nfs/dbraw/zinc/31/45/76/457314576.db2.gz OQFHZSGQSYUPGU-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000357094270 457319494 /nfs/dbraw/zinc/31/94/94/457319494.db2.gz ZGCSUVSIADDFEO-KRWDZBQOSA-N 2 0 341.455 3.172 20 0 EGADRP Cc1nc2cc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)ccc2[nH]1 ZINC000392656378 457460310 /nfs/dbraw/zinc/46/03/10/457460310.db2.gz XXOLOBYUMWRHHS-UHFFFAOYSA-N 2 0 334.423 3.131 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000395653035 457478231 /nfs/dbraw/zinc/47/82/31/457478231.db2.gz YYNPQGLTZHWTTG-NZSAHSFTSA-N 2 0 345.531 3.037 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347528876 457487522 /nfs/dbraw/zinc/48/75/22/457487522.db2.gz TWXFXWQLOPRSMT-IRXDYDNUSA-N 2 0 341.499 3.016 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000342766901 457509112 /nfs/dbraw/zinc/50/91/12/457509112.db2.gz YPPIRFJFOKUZSR-LPHOPBHVSA-N 2 0 329.488 3.389 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(C)sc2C)CC1 ZINC000347579690 457524161 /nfs/dbraw/zinc/52/41/61/457524161.db2.gz KKOFNDCZJUYZCZ-UHFFFAOYSA-N 2 0 339.549 3.330 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCCO3)CC2)[C@H](C)C1 ZINC000370063685 457525123 /nfs/dbraw/zinc/52/51/23/457525123.db2.gz RSULDVMBRPDPOG-SOAISFHBSA-N 2 0 338.536 3.205 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000370526854 457666162 /nfs/dbraw/zinc/66/61/62/457666162.db2.gz GHIVZZOVZOJSIU-RBUKOAKNSA-N 2 0 349.519 3.298 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000357899702 457727675 /nfs/dbraw/zinc/72/76/75/457727675.db2.gz NIHLMBOUGCKSQQ-LJQANCHMSA-N 2 0 343.515 3.062 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC34CC[NH+](C)CC4)s2)cn1 ZINC000374994864 457747797 /nfs/dbraw/zinc/74/77/97/457747797.db2.gz NCVQGTZNSHTOFJ-UHFFFAOYSA-N 2 0 330.501 3.209 20 0 EGADRP CCn1cccc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c1=O ZINC000433088739 457754977 /nfs/dbraw/zinc/75/49/77/457754977.db2.gz MRXCDBNUXSMQOP-QFBILLFUSA-N 2 0 331.504 3.001 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000433120936 457761544 /nfs/dbraw/zinc/76/15/44/457761544.db2.gz POLIMXXVWZRCCE-VQTJNVASSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1cccc([C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C(C)(C)C)c1 ZINC000433132060 457762448 /nfs/dbraw/zinc/76/24/48/457762448.db2.gz WONFYPVRGYSMHH-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)c1ccccc1Cl ZINC000433133025 457763336 /nfs/dbraw/zinc/76/33/36/457763336.db2.gz HASNORUFKBKSEI-RDJZCZTQSA-N 2 0 339.911 3.070 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC3(C2)CCCCCC3)CC1 ZINC000433147493 457765393 /nfs/dbraw/zinc/76/53/93/457765393.db2.gz CPIRKSUKKICCPP-UHFFFAOYSA-N 2 0 335.536 3.153 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](SC)C2)[C@@H](C)C1 ZINC000361523869 457770021 /nfs/dbraw/zinc/77/00/21/457770021.db2.gz HBIRCTAJMJCFQW-MHORFTMASA-N 2 0 328.566 3.387 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCC[C@H]1C ZINC000361542132 457782097 /nfs/dbraw/zinc/78/20/97/457782097.db2.gz WQHPXWQGIYWLHN-FGTMMUONSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433304873 457804534 /nfs/dbraw/zinc/80/45/34/457804534.db2.gz OEEJCPHQWNRZGG-IBGZPJMESA-N 2 0 331.504 3.012 20 0 EGADRP c1ncn([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411247645 457841683 /nfs/dbraw/zinc/84/16/83/457841683.db2.gz RCJPOCWKPXAVMC-FQEVSTJZSA-N 2 0 339.487 3.101 20 0 EGADRP C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444007810 457841904 /nfs/dbraw/zinc/84/19/04/457841904.db2.gz CHEQFLVWPQEIPH-IXDOHACOSA-N 2 0 347.503 3.217 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccnc2ccncc21 ZINC000444077883 457848660 /nfs/dbraw/zinc/84/86/60/457848660.db2.gz UNBLGHJSIWSSRY-QFBILLFUSA-N 2 0 332.451 3.374 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444198594 457866892 /nfs/dbraw/zinc/86/68/92/457866892.db2.gz QBHUERQRTGXEBT-QGZVFWFLSA-N 2 0 347.478 3.271 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000361824753 457886990 /nfs/dbraw/zinc/88/69/90/457886990.db2.gz GLPOODSMWPUAEF-LJQANCHMSA-N 2 0 326.488 3.487 20 0 EGADRP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000358325744 457935591 /nfs/dbraw/zinc/93/55/91/457935591.db2.gz YOSODJWUFNFJIR-WMZOPIPTSA-N 2 0 332.488 3.379 20 0 EGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358327724 457936810 /nfs/dbraw/zinc/93/68/10/457936810.db2.gz KBMAPMXTAQZUSM-SJORKVTESA-N 2 0 342.405 3.482 20 0 EGADRP COCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCO[C@H]1C ZINC000411651983 457940916 /nfs/dbraw/zinc/94/09/16/457940916.db2.gz DBIIYKAXHQGKCE-GHTZIAJQSA-N 2 0 346.515 3.298 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358449172 458010394 /nfs/dbraw/zinc/01/03/94/458010394.db2.gz SLGAPQPSEWUUDS-GUDVDZBRSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3C3(CCC3)C2)CC1 ZINC000375685747 458021425 /nfs/dbraw/zinc/02/14/25/458021425.db2.gz UMBFADABCDEBAO-UHFFFAOYSA-N 2 0 341.543 3.340 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C2CCC2)cc1 ZINC000427694822 458023894 /nfs/dbraw/zinc/02/38/94/458023894.db2.gz DVNHNZOLWFCPCI-PMACEKPBSA-N 2 0 343.515 3.013 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000368366837 458031642 /nfs/dbraw/zinc/03/16/42/458031642.db2.gz IREZRCNBVUXOLC-IBGZPJMESA-N 2 0 344.499 3.174 20 0 EGADRP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000368445622 458038611 /nfs/dbraw/zinc/03/86/11/458038611.db2.gz MPCAEAPXNUSEFX-NHUHVJRWSA-N 2 0 339.483 3.036 20 0 EGADRP Cc1sc2[nH]c([C@@H](C)N3CCC4(C3)CC[NH2+]CC4)nc(=O)c2c1C ZINC000358520515 458052479 /nfs/dbraw/zinc/05/24/79/458052479.db2.gz VRUVOSQZEITEGU-GFCCVEGCSA-N 2 0 346.500 3.150 20 0 EGADRP C[N@H+](CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)C1CCCC1 ZINC000412043420 458061690 /nfs/dbraw/zinc/06/16/90/458061690.db2.gz UYDUDAPKROLGDC-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000358572531 458085410 /nfs/dbraw/zinc/08/54/10/458085410.db2.gz QHLUCGVOSVIHLW-DOIPELPJSA-N 2 0 330.516 3.284 20 0 EGADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000358572532 458085723 /nfs/dbraw/zinc/08/57/23/458085723.db2.gz QHLUCGVOSVIHLW-PLACYPQZSA-N 2 0 330.516 3.284 20 0 EGADRP OC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000358577743 458087747 /nfs/dbraw/zinc/08/77/47/458087747.db2.gz UYAAOZGSXINMKW-NMBAIYOOSA-N 2 0 328.500 3.180 20 0 EGADRP c1nc2c(s1)C[NH+](CCCCC[N@@H+]1CCc3ncsc3C1)CC2 ZINC000445862343 458103282 /nfs/dbraw/zinc/10/32/82/458103282.db2.gz HBWKDROMXFOERB-UHFFFAOYSA-N 2 0 348.541 3.186 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412161931 458111858 /nfs/dbraw/zinc/11/18/58/458111858.db2.gz QIOBGMYCCFFSTJ-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908315 458118469 /nfs/dbraw/zinc/11/84/69/458118469.db2.gz VZLRUDITSZEAHW-WOJBJXKFSA-N 2 0 333.495 3.377 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000435376149 458125877 /nfs/dbraw/zinc/12/58/77/458125877.db2.gz PUCWJYDVXQDJCX-XJKSGUPXSA-N 2 0 346.906 3.371 20 0 EGADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000435376698 458126155 /nfs/dbraw/zinc/12/61/55/458126155.db2.gz TWJNXHSXCFMSJS-MRXNPFEDSA-N 2 0 340.467 3.412 20 0 EGADRP C[C@@H]1CCCC[C@@H]1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435437951 458148084 /nfs/dbraw/zinc/14/80/84/458148084.db2.gz MDSQSTRVAQGNTA-KURKYZTESA-N 2 0 330.520 3.191 20 0 EGADRP COCCOc1ccccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000375998918 458155990 /nfs/dbraw/zinc/15/59/90/458155990.db2.gz IHOTXCPTZAGFFK-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000446765356 458225264 /nfs/dbraw/zinc/22/52/64/458225264.db2.gz DBANVQYELXTYES-UHFFFAOYSA-N 2 0 330.394 3.401 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000362551945 458264553 /nfs/dbraw/zinc/26/45/53/458264553.db2.gz KBONVBOZFWHEQM-MDZRGWNJSA-N 2 0 329.488 3.055 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccnn3-c3ccc(F)cc3)C2)CC1 ZINC000369723217 458326658 /nfs/dbraw/zinc/32/66/58/458326658.db2.gz WBCIBSQYNMQXSE-UHFFFAOYSA-N 2 0 342.462 3.319 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000459350406 458339494 /nfs/dbraw/zinc/33/94/94/458339494.db2.gz YRBZQMWZQFFNPI-DYESRHJHSA-N 2 0 327.516 3.022 20 0 EGADRP CN(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000459385450 458353948 /nfs/dbraw/zinc/35/39/48/458353948.db2.gz HRTILNWNCFHZOP-HXUWFJFHSA-N 2 0 342.462 3.082 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)[C@@H]1SC ZINC000459424098 458366435 /nfs/dbraw/zinc/36/64/35/458366435.db2.gz KUBGMYNKGXIMCN-ZMHJYQQXSA-N 2 0 348.556 3.396 20 0 EGADRP CCCc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000372985882 458367422 /nfs/dbraw/zinc/36/74/22/458367422.db2.gz ZRZICKLFSSLTFE-NRFANRHFSA-N 2 0 329.532 3.239 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000448058211 458385007 /nfs/dbraw/zinc/38/50/07/458385007.db2.gz KJJIPJNYTMHYQG-UHFFFAOYSA-N 2 0 327.516 3.246 20 0 EGADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459485048 458388518 /nfs/dbraw/zinc/38/85/18/458388518.db2.gz DOHXPKCPZLCMGC-WIYYLYMNSA-N 2 0 337.467 3.418 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423428955 458431337 /nfs/dbraw/zinc/43/13/37/458431337.db2.gz GYDWARVDLHBUSG-ARFHVFGLSA-N 2 0 346.471 3.120 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423434825 458432130 /nfs/dbraw/zinc/43/21/30/458432130.db2.gz YGMNIVUQMBXXTO-BZSNNMDCSA-N 3 0 333.520 3.043 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000423436913 458432914 /nfs/dbraw/zinc/43/29/14/458432914.db2.gz MAINYSXVYNZTPD-OAHLLOKOSA-N 2 0 329.488 3.233 20 0 EGADRP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423441530 458433987 /nfs/dbraw/zinc/43/39/87/458433987.db2.gz PGGRDLDMOULDQW-YXJHDRRASA-N 2 0 329.444 3.208 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423464954 458436636 /nfs/dbraw/zinc/43/66/36/458436636.db2.gz WCGAZESZQGGELU-LRDDRELGSA-N 2 0 325.294 3.487 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)nnn1-c1ccc(C)cc1 ZINC000423490397 458442030 /nfs/dbraw/zinc/44/20/30/458442030.db2.gz XQPZKZVLCVTUNP-WBVHZDCISA-N 2 0 327.476 3.067 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423494832 458443032 /nfs/dbraw/zinc/44/30/32/458443032.db2.gz BCCAYSKNKOEEQO-LPHOPBHVSA-N 2 0 325.456 3.474 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1)C1CC1 ZINC000430391283 458445297 /nfs/dbraw/zinc/44/52/97/458445297.db2.gz GGUKNHKSLCPSNG-LJQANCHMSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000459692789 458449125 /nfs/dbraw/zinc/44/91/25/458449125.db2.gz WCUKVDHNOPJYAW-UHFFFAOYSA-N 2 0 335.923 3.114 20 0 EGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423541737 458455180 /nfs/dbraw/zinc/45/51/80/458455180.db2.gz LQCYZWVFJWZLEI-YOKBYHGQSA-N 2 0 335.289 3.414 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423545110 458455616 /nfs/dbraw/zinc/45/56/16/458455616.db2.gz OTVZJXMCEPKTJQ-CAOSSQGBSA-N 2 0 346.471 3.120 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000459721748 458456746 /nfs/dbraw/zinc/45/67/46/458456746.db2.gz ASZYUDHMJSXLRZ-MRXNPFEDSA-N 2 0 332.488 3.463 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000423556330 458457005 /nfs/dbraw/zinc/45/70/05/458457005.db2.gz ZAQJORMJBRNCGX-CIRFHOKZSA-N 2 0 349.316 3.284 20 0 EGADRP Cc1nn2c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)c(C(C)C)nc2s1 ZINC000459724409 458458177 /nfs/dbraw/zinc/45/81/77/458458177.db2.gz DKCSPJDQIXTGSV-CQSZACIVSA-N 2 0 335.521 3.044 20 0 EGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430547640 458459935 /nfs/dbraw/zinc/45/99/35/458459935.db2.gz FTWSNYPNQHFBTQ-HNNXBMFYSA-N 2 0 336.867 3.238 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000459737358 458463308 /nfs/dbraw/zinc/46/33/08/458463308.db2.gz RAHHEHVFKAWLJR-AWEZNQCLSA-N 2 0 338.879 3.323 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000459739460 458464281 /nfs/dbraw/zinc/46/42/81/458464281.db2.gz SPJBESJBEIYXJM-HNNXBMFYSA-N 2 0 330.394 3.449 20 0 EGADRP COc1ccc([C@@H](CO)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000459761776 458472028 /nfs/dbraw/zinc/47/20/28/458472028.db2.gz UVKCPDIOZZIIFA-GOSISDBHSA-N 2 0 346.515 3.158 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423736019 458477861 /nfs/dbraw/zinc/47/78/61/458477861.db2.gz XZLQBQQDOBEVRJ-NBMJBFSESA-N 2 0 335.536 3.148 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423844236 458496392 /nfs/dbraw/zinc/49/63/92/458496392.db2.gz LSWVGORGHAKHPE-IBGZPJMESA-N 2 0 343.515 3.432 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000423906370 458510221 /nfs/dbraw/zinc/51/02/21/458510221.db2.gz QFQAVKAOQLCBFP-XEYPJELSSA-N 2 0 345.531 3.023 20 0 EGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000423937606 458516415 /nfs/dbraw/zinc/51/64/15/458516415.db2.gz HHFDWYYXBAGCDB-WOJBJXKFSA-N 2 0 339.483 3.058 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000461211279 458552108 /nfs/dbraw/zinc/55/21/08/458552108.db2.gz GTWOSPBAKOEZMM-ZHALLVOQSA-N 2 0 348.535 3.097 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@@H]1C ZINC000424149869 458571835 /nfs/dbraw/zinc/57/18/35/458571835.db2.gz XSCDFAMRDCTBOC-UHOSZYNNSA-N 2 0 337.552 3.396 20 0 EGADRP CC1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431597598 458593558 /nfs/dbraw/zinc/59/35/58/458593558.db2.gz UWQUDGAJZKGATF-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438544440 458595375 /nfs/dbraw/zinc/59/53/75/458595375.db2.gz IMYVKKJDGDKSHJ-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424279390 458602869 /nfs/dbraw/zinc/60/28/69/458602869.db2.gz FXNCWZVOMFBSEZ-DZGCQCFKSA-N 2 0 328.884 3.356 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CCOc1ccc(Cl)c(F)c1)CC[NH2+]CC2 ZINC000424290543 458604826 /nfs/dbraw/zinc/60/48/26/458604826.db2.gz MUOKKESHDZNNKY-ZDUSSCGKSA-N 2 0 326.843 3.322 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424301641 458608905 /nfs/dbraw/zinc/60/89/05/458608905.db2.gz XXCBQIRYVAUDHG-QGZVFWFLSA-N 2 0 343.515 3.036 20 0 EGADRP Fc1cccc(Cl)c1CC[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424301937 458609585 /nfs/dbraw/zinc/60/95/85/458609585.db2.gz YJGKTTGSOMIBRI-UHFFFAOYSA-N 2 0 348.853 3.158 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)C[C@@H]1C ZINC000438819856 458616783 /nfs/dbraw/zinc/61/67/83/458616783.db2.gz NEQYSWULOPOLSJ-HOCLYGCPSA-N 2 0 335.467 3.267 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000431759693 458618507 /nfs/dbraw/zinc/61/85/07/458618507.db2.gz PQPQPKDLGUBEBL-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431785231 458623991 /nfs/dbraw/zinc/62/39/91/458623991.db2.gz ORPFWNKBDNXIJJ-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424376226 458628800 /nfs/dbraw/zinc/62/88/00/458628800.db2.gz KPPUCPMXQJHNLF-INIZCTEOSA-N 2 0 338.499 3.453 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cn(C)nc1C1CCCCC1)CC[NH2+]CC2 ZINC000424382782 458629813 /nfs/dbraw/zinc/62/98/13/458629813.db2.gz SPJPGDPDTVQXNO-MRXNPFEDSA-N 2 0 330.520 3.432 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000546602083 458642917 /nfs/dbraw/zinc/64/29/17/458642917.db2.gz YVLDLHPJHWPNID-SFHVURJKSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000494361354 458664230 /nfs/dbraw/zinc/66/42/30/458664230.db2.gz BOFUQUVGEZTQEN-CABCVRRESA-N 2 0 339.524 3.142 20 0 EGADRP CCOc1ccc(OCCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470974587 458671990 /nfs/dbraw/zinc/67/19/90/458671990.db2.gz DWNKRNCCYJWVQF-SFHVURJKSA-N 2 0 332.488 3.128 20 0 EGADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC1CCCC1 ZINC000463236649 458686136 /nfs/dbraw/zinc/68/61/36/458686136.db2.gz JDYIHARUKUXBIJ-OAQYLSRUSA-N 2 0 344.543 3.472 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000503989582 458735708 /nfs/dbraw/zinc/73/57/08/458735708.db2.gz VVAQXQILEFAISP-QZTJIDSGSA-N 2 0 340.556 3.010 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000495084338 458796945 /nfs/dbraw/zinc/79/69/45/458796945.db2.gz MBWPMYKXPICVPT-ROUUACIJSA-N 2 0 345.531 3.407 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472483096 458798378 /nfs/dbraw/zinc/79/83/78/458798378.db2.gz DMRNXHPPSQNHES-IEBWSBKVSA-N 2 0 343.515 3.294 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472483095 458798947 /nfs/dbraw/zinc/79/89/47/458798947.db2.gz DMRNXHPPSQNHES-HKUYNNGSSA-N 2 0 343.515 3.294 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)c(F)c1 ZINC000518337793 458857797 /nfs/dbraw/zinc/85/77/97/458857797.db2.gz FYHNVENSTRJUOZ-UHFFFAOYSA-N 2 0 335.467 3.480 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC2(C)C)cc1)C1CC1 ZINC000457081322 458858710 /nfs/dbraw/zinc/85/87/10/458858710.db2.gz VKPXFIZODLZROY-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000495527263 458876208 /nfs/dbraw/zinc/87/62/08/458876208.db2.gz ZMBNHDYRUSQEJW-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[C@@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000474720396 458898093 /nfs/dbraw/zinc/89/80/93/458898093.db2.gz PTZVLBQKRGZNAJ-OAQYLSRUSA-N 2 0 331.548 3.289 20 0 EGADRP Cc1cccc(C)c1OCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441271435 458908302 /nfs/dbraw/zinc/90/83/02/458908302.db2.gz XYYAOJIVRPMKLX-VAMGGRTRSA-N 2 0 346.515 3.256 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1(C)C ZINC000441339855 458923003 /nfs/dbraw/zinc/92/30/03/458923003.db2.gz WKNMPHLICBYYOZ-UXHICEINSA-N 2 0 329.532 3.013 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716309 458928737 /nfs/dbraw/zinc/92/87/37/458928737.db2.gz KKFYUVGVQYRLPH-VQIMIIECSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000576863214 458936794 /nfs/dbraw/zinc/93/67/94/458936794.db2.gz IERHKDZDQBZKHV-GHTZIAJQSA-N 2 0 348.531 3.042 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](CC1CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000531691365 458961120 /nfs/dbraw/zinc/96/11/20/458961120.db2.gz RZWZQEAKHHEBOC-NHCUHLMSSA-N 2 0 329.532 3.389 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531691446 458961473 /nfs/dbraw/zinc/96/14/73/458961473.db2.gz BINFHKFBEMIHAY-WXLSXGNJSA-N 2 0 336.442 3.180 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000531702689 458964345 /nfs/dbraw/zinc/96/43/45/458964345.db2.gz HQDGFGDTYKHVOQ-IIBYNOLFSA-N 2 0 347.522 3.312 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495817422 458965853 /nfs/dbraw/zinc/96/58/53/458965853.db2.gz FWGLMOKHXRREKC-BRWVUGGUSA-N 2 0 341.540 3.388 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000577055116 458970788 /nfs/dbraw/zinc/97/07/88/458970788.db2.gz IOSXMMCEBJJZDR-LJQANCHMSA-N 2 0 348.531 3.045 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000566858636 459013330 /nfs/dbraw/zinc/01/33/30/459013330.db2.gz SJEMAOAMNRAOIW-UXHICEINSA-N 2 0 338.499 3.311 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C[NH+]3CC[C@H](C)C3)c2C1 ZINC000566983000 459031814 /nfs/dbraw/zinc/03/18/14/459031814.db2.gz TVJQYUZIKNDOCA-INIZCTEOSA-N 2 0 329.488 3.329 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000556915692 459032260 /nfs/dbraw/zinc/03/22/60/459032260.db2.gz SKQUOBUVFVEDJI-CXAGYDPISA-N 2 0 326.431 3.442 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496034500 459044392 /nfs/dbraw/zinc/04/43/92/459044392.db2.gz GAEUKWMFTQHDKR-QGZVFWFLSA-N 2 0 339.524 3.051 20 0 EGADRP Cc1cc(C)c(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)c(C)n1 ZINC000567078401 459044737 /nfs/dbraw/zinc/04/47/37/459044737.db2.gz VGNPCZYLEGRTAO-MRXNPFEDSA-N 2 0 326.400 3.087 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532200480 459045475 /nfs/dbraw/zinc/04/54/75/459045475.db2.gz LXZGWPVWUDKIEO-INIZCTEOSA-N 2 0 329.488 3.344 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442870957 459049073 /nfs/dbraw/zinc/04/90/73/459049073.db2.gz AOMAIRXJOPSEOC-AWEZNQCLSA-N 2 0 338.565 3.252 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000577548418 459049217 /nfs/dbraw/zinc/04/92/17/459049217.db2.gz OCGTUZWGRFQSLL-FGTMMUONSA-N 2 0 334.504 3.076 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1(C)C ZINC000442881326 459051332 /nfs/dbraw/zinc/05/13/32/459051332.db2.gz ZFLASCDSXBFAMS-CTNGQTDRSA-N 2 0 329.532 3.112 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1(C)C ZINC000442889305 459054570 /nfs/dbraw/zinc/05/45/70/459054570.db2.gz JYAIZGXYFSICND-VQTJNVASSA-N 2 0 329.532 3.013 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000442917544 459060214 /nfs/dbraw/zinc/06/02/14/459060214.db2.gz AUQYXUFNBQAYEA-KRWDZBQOSA-N 2 0 325.456 3.221 20 0 EGADRP CCN(CC(=O)N(C)c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999422 459065010 /nfs/dbraw/zinc/06/50/10/459065010.db2.gz HDSYOZRODRTRLU-UHFFFAOYSA-N 2 0 339.483 3.233 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477917682 459066427 /nfs/dbraw/zinc/06/64/27/459066427.db2.gz OIVCUIZEOHHUTN-UYAOXDASSA-N 2 0 329.532 3.219 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000496126575 459077568 /nfs/dbraw/zinc/07/75/68/459077568.db2.gz DNIZVHKOUAYECX-SJLPKXTDSA-N 2 0 333.520 3.399 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000590125091 459087680 /nfs/dbraw/zinc/08/76/80/459087680.db2.gz DHGFSGKTRCBVER-UHFFFAOYSA-N 2 0 330.394 3.358 20 0 EGADRP CC[C@@H](C)[NH2+][C@H](CNc1nc(C2CC2)nc2c1CCC2)c1ccco1 ZINC000557695507 459100407 /nfs/dbraw/zinc/10/04/07/459100407.db2.gz LVQAWAGAPOEVNH-CXAGYDPISA-N 2 0 340.471 3.399 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1 ZINC000532531129 459105599 /nfs/dbraw/zinc/10/55/99/459105599.db2.gz OWVGAARDZMDSMC-JKSUJKDBSA-N 2 0 332.492 3.209 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000567642370 459139222 /nfs/dbraw/zinc/13/92/22/459139222.db2.gz QLGWTBMZCJLGQF-HBMCJLEFSA-N 2 0 345.531 3.472 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000479462232 459142091 /nfs/dbraw/zinc/14/20/91/459142091.db2.gz FTECHDKLMPYSIJ-OALUTQOASA-N 2 0 344.499 3.220 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000567786530 459167708 /nfs/dbraw/zinc/16/77/08/459167708.db2.gz AZYDQXDDXYIBSX-RBUKOAKNSA-N 2 0 335.536 3.009 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000479849198 459170530 /nfs/dbraw/zinc/17/05/30/459170530.db2.gz HRVJLMRXLGDZHG-KZNAEPCWSA-N 2 0 335.561 3.451 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000558723226 459204476 /nfs/dbraw/zinc/20/44/76/459204476.db2.gz OJKNQXRCZHIRFG-QYZOEREBSA-N 2 0 338.536 3.205 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480618977 459210065 /nfs/dbraw/zinc/21/00/65/459210065.db2.gz YRHBVHQWGLPGAJ-CEXWTWQISA-N 2 0 347.547 3.398 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]1 ZINC000578500440 459211342 /nfs/dbraw/zinc/21/13/42/459211342.db2.gz JLBRSYDDMSYBDU-LPHOPBHVSA-N 2 0 347.466 3.164 20 0 EGADRP CC(=O)c1ccccc1OCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786968 459219811 /nfs/dbraw/zinc/21/98/11/459219811.db2.gz SEXPENUSMDBQTB-UHFFFAOYSA-N 2 0 332.488 3.320 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000480909841 459223640 /nfs/dbraw/zinc/22/36/40/459223640.db2.gz HIVNKMIUNQHBLN-UXHICEINSA-N 2 0 345.531 3.106 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000480922317 459223668 /nfs/dbraw/zinc/22/36/68/459223668.db2.gz WOOVAVZRYMWZQW-FUMNGEBKSA-N 2 0 340.552 3.308 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000481031223 459230122 /nfs/dbraw/zinc/23/01/22/459230122.db2.gz CDWWSPJLXJZJOO-HUUCEWRRSA-N 2 0 329.488 3.299 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000590818951 459231599 /nfs/dbraw/zinc/23/15/99/459231599.db2.gz LHOGUMXJQWMVLT-UHFFFAOYSA-N 2 0 335.467 3.207 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000496558394 459238350 /nfs/dbraw/zinc/23/83/50/459238350.db2.gz HRKXOJTYENAUMX-KGLIPLIRSA-N 2 0 332.448 3.116 20 0 EGADRP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000481709844 459269556 /nfs/dbraw/zinc/26/95/56/459269556.db2.gz ASHQYPAVRHKXLZ-CJNGLKHVSA-N 2 0 325.294 3.496 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533865794 459274748 /nfs/dbraw/zinc/27/47/48/459274748.db2.gz AZRQEOBNONMLDK-DOTOQJQBSA-N 2 0 348.450 3.390 20 0 EGADRP CCc1ccc(CC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000568553821 459307588 /nfs/dbraw/zinc/30/75/88/459307588.db2.gz YDZRLQGBWGRSMA-BGYRXZFFSA-N 2 0 343.559 3.282 20 0 EGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000582117452 459310341 /nfs/dbraw/zinc/31/03/41/459310341.db2.gz QJJAWRIZQHOBQT-FQEVSTJZSA-N 2 0 348.531 3.145 20 0 EGADRP CCCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000482546201 459313719 /nfs/dbraw/zinc/31/37/19/459313719.db2.gz DCDXDXQPRUJRHY-XLIONFOSSA-N 2 0 345.531 3.267 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591101925 459315754 /nfs/dbraw/zinc/31/57/54/459315754.db2.gz QMEIKGZRVKIEEE-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCCC1 ZINC000591132877 459319998 /nfs/dbraw/zinc/31/99/98/459319998.db2.gz BXDFKNGTRKGYRW-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000591161302 459326300 /nfs/dbraw/zinc/32/63/00/459326300.db2.gz XRCZNQMDXFHORR-WOJBJXKFSA-N 2 0 345.531 3.224 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1OC ZINC000582436280 459364504 /nfs/dbraw/zinc/36/45/04/459364504.db2.gz HTMWIKZPPHUJBJ-JCGIZDLHSA-N 2 0 334.504 3.406 20 0 EGADRP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000560827083 459400101 /nfs/dbraw/zinc/40/01/01/459400101.db2.gz UTVAPYOFELOOQQ-ICSRJNTNSA-N 2 0 345.531 3.402 20 0 EGADRP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000497180427 459474807 /nfs/dbraw/zinc/47/48/07/459474807.db2.gz CNSZWXWSSXVNND-BQFCYCMXSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000569592377 459478433 /nfs/dbraw/zinc/47/84/33/459478433.db2.gz IXRSPLCEEADWCI-VYDXJSESSA-N 3 0 330.520 3.152 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000497303447 459521976 /nfs/dbraw/zinc/52/19/76/459521976.db2.gz AYWYOXQYLWMWRX-IKGGRYGDSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]1CCC[C@@H](C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000527116404 459594524 /nfs/dbraw/zinc/59/45/24/459594524.db2.gz ZZNKTBHZPIYLLZ-SFHLNBCPSA-N 2 0 329.532 3.391 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000584226934 459685491 /nfs/dbraw/zinc/68/54/91/459685491.db2.gz XKCXUJLVOYQVPF-DYESRHJHSA-N 2 0 326.484 3.065 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000562986240 459685768 /nfs/dbraw/zinc/68/57/68/459685768.db2.gz POBCBCVKUKYZGG-OAQYLSRUSA-N 2 0 326.484 3.206 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000562997131 459690291 /nfs/dbraw/zinc/69/02/91/459690291.db2.gz LATNTIDFUMEMGD-CBNMVNINSA-N 2 0 326.484 3.206 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000501429062 459727466 /nfs/dbraw/zinc/72/74/66/459727466.db2.gz WXVHNUWSZUWRRM-UHFFFAOYSA-N 2 0 342.483 3.488 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)[C@@H](C)C1 ZINC000544384720 459754346 /nfs/dbraw/zinc/75/43/46/459754346.db2.gz DDQJJYUUQQUXMN-YESZJQIVSA-N 2 0 330.582 3.491 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544578710 459770166 /nfs/dbraw/zinc/77/01/66/459770166.db2.gz DGYOJWCFKZIAGV-PDRSHUBSSA-N 2 0 333.564 3.207 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 ZINC000574053566 459774186 /nfs/dbraw/zinc/77/41/86/459774186.db2.gz NGZJBYDOLGBYIU-HKUYNNGSSA-N 2 0 341.430 3.438 20 0 EGADRP C[C@H]1C[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CCN1C ZINC000527939399 459778025 /nfs/dbraw/zinc/77/80/25/459778025.db2.gz NTUZEFOQOLMIEK-YJBOKZPZSA-N 2 0 346.519 3.464 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000566107866 459806503 /nfs/dbraw/zinc/80/65/03/459806503.db2.gz BIUANDSIMDTJJX-VQTJNVASSA-N 2 0 348.531 3.062 20 0 EGADRP CN1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868468 459862730 /nfs/dbraw/zinc/86/27/30/459862730.db2.gz NJZBGPHXVPCQLS-JQFCIGGWSA-N 2 0 343.298 3.286 20 0 EGADRP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868469 459863792 /nfs/dbraw/zinc/86/37/92/459863792.db2.gz NJZBGPHXVPCQLS-XKQJLSEDSA-N 2 0 343.298 3.286 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000575000409 459905848 /nfs/dbraw/zinc/90/58/48/459905848.db2.gz BQULBCSTUDADQF-VQTJNVASSA-N 2 0 343.515 3.227 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])ccc2o1 ZINC000593729024 459965276 /nfs/dbraw/zinc/96/52/76/459965276.db2.gz CRXHNKJXZBCRRO-CJNGLKHVSA-N 2 0 330.428 3.169 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000598952226 460099683 /nfs/dbraw/zinc/09/96/83/460099683.db2.gz IWALCCMSWISIKV-UHFFFAOYSA-N 2 0 335.492 3.207 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000576397484 460132311 /nfs/dbraw/zinc/13/23/11/460132311.db2.gz QCUDSNQZNKQLTC-UFYCRDLUSA-N 2 0 345.531 3.483 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)o1 ZINC000622055963 460173669 /nfs/dbraw/zinc/17/36/69/460173669.db2.gz FAZFYPCIAFACOY-UHFFFAOYSA-N 2 0 349.519 3.458 20 0 EGADRP c1cc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000625586986 460213648 /nfs/dbraw/zinc/21/36/48/460213648.db2.gz BKDCGUDHEPTWJH-UYAOXDASSA-N 2 0 340.471 3.015 20 0 EGADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000576820445 460219559 /nfs/dbraw/zinc/21/95/59/460219559.db2.gz RUJPNSAHBAALGA-JKSUJKDBSA-N 2 0 339.483 3.015 20 0 EGADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622753216 460304782 /nfs/dbraw/zinc/30/47/82/460304782.db2.gz TZWGVIQUIHLZJC-PXNSSMCTSA-N 2 0 347.547 3.307 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000634733318 460498501 /nfs/dbraw/zinc/49/85/01/460498501.db2.gz CNPQXYOIDWZJHT-GOSISDBHSA-N 2 0 326.488 3.263 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623854206 460745005 /nfs/dbraw/zinc/74/50/05/460745005.db2.gz VLNWJYFABFXSGB-ZDUSSCGKSA-N 2 0 347.400 3.133 20 0 EGADRP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000623860428 460748620 /nfs/dbraw/zinc/74/86/20/460748620.db2.gz WQYVPNSVRWIFHS-SFTDATJTSA-N 2 0 331.548 3.259 20 0 EGADRP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000623886685 460761947 /nfs/dbraw/zinc/76/19/47/460761947.db2.gz IONOXFVCZZMFAG-CTNGQTDRSA-N 2 0 331.548 3.261 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000601289909 460778423 /nfs/dbraw/zinc/77/84/23/460778423.db2.gz WECBDYZLVPMPKG-OTBHMBEGSA-N 2 0 344.499 3.076 20 0 EGADRP C[NH+](C)CC1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000635445484 460788306 /nfs/dbraw/zinc/78/83/06/460788306.db2.gz LJUKCMOUDZGDSH-UHFFFAOYSA-N 2 0 329.488 3.343 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)o1 ZINC000607125378 460793713 /nfs/dbraw/zinc/79/37/13/460793713.db2.gz YLONLYOONFBEHY-CVEARBPZSA-N 2 0 335.492 3.066 20 0 EGADRP O[C@H](C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCCC1 ZINC000629577888 460812114 /nfs/dbraw/zinc/81/21/14/460812114.db2.gz KMKMOHXLCQAWAS-RBSFLKMASA-N 2 0 343.298 3.286 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)ccc21 ZINC000632953664 460905469 /nfs/dbraw/zinc/90/54/69/460905469.db2.gz SXTMKSJOLMROHV-FUHWJXTLSA-N 2 0 344.503 3.135 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000637905260 461118194 /nfs/dbraw/zinc/11/81/94/461118194.db2.gz JNUZXCDWYMEPKE-IBGZPJMESA-N 2 0 344.499 3.499 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000652347774 461141979 /nfs/dbraw/zinc/14/19/79/461141979.db2.gz LMHBTPRISROMIW-UHOSZYNNSA-N 2 0 336.907 3.491 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000662260517 461148761 /nfs/dbraw/zinc/14/87/61/461148761.db2.gz OGMGKZQFMGLTCW-IBGZPJMESA-N 2 0 341.543 3.276 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652354662 461151132 /nfs/dbraw/zinc/15/11/32/461151132.db2.gz DPTFRUPDPHVYQC-LPHOPBHVSA-N 2 0 331.504 3.022 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Cl)C1 ZINC000652363428 461157751 /nfs/dbraw/zinc/15/77/51/461157751.db2.gz DNILBPIDHITNMB-OIISXLGYSA-N 2 0 326.843 3.340 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)on2)C1 ZINC000652363946 461157831 /nfs/dbraw/zinc/15/78/31/461157831.db2.gz SQIOCXLWYIZIHH-IMFGXOCKSA-N 2 0 341.455 3.202 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000662279952 461162842 /nfs/dbraw/zinc/16/28/42/461162842.db2.gz BLHSUTHXRTVGDY-DUXKGJEZSA-N 2 0 328.500 3.325 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)on2)cc1 ZINC000662284872 461166324 /nfs/dbraw/zinc/16/63/24/461166324.db2.gz ZTSKUMLVPCCWOB-LZWOXQAQSA-N 2 0 329.444 3.155 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000662283648 461166546 /nfs/dbraw/zinc/16/65/46/461166546.db2.gz CIFWRAKTSXQCGC-IIDMSEBBSA-N 2 0 345.512 3.057 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291442 461167347 /nfs/dbraw/zinc/16/73/47/461167347.db2.gz SNCNKGYKUKTHHD-FUHWJXTLSA-N 2 0 329.488 3.034 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000662286617 461167812 /nfs/dbraw/zinc/16/78/12/461167812.db2.gz SAAIDTIJBVLTBK-YSVLISHTSA-N 2 0 338.879 3.067 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292219 461169161 /nfs/dbraw/zinc/16/91/61/461169161.db2.gz CDGDMXKYZKHEMN-VQIMIIECSA-N 2 0 343.515 3.288 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000662295034 461172977 /nfs/dbraw/zinc/17/29/77/461172977.db2.gz YITNELBQFWPCCJ-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294185 461173050 /nfs/dbraw/zinc/17/30/50/461173050.db2.gz PQHWEZSYFWBPCG-FUHWJXTLSA-N 2 0 339.487 3.040 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)[C@@H]1CCC[NH3+] ZINC000662312459 461183996 /nfs/dbraw/zinc/18/39/96/461183996.db2.gz GOEBPUYIQKODNR-IEBWSBKVSA-N 2 0 343.515 3.021 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCC[C@@H]1O ZINC000649572668 461184933 /nfs/dbraw/zinc/18/49/33/461184933.db2.gz DTNSCNZPLGBRSG-QUCCMNQESA-N 2 0 331.504 3.171 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662314036 461185586 /nfs/dbraw/zinc/18/55/86/461185586.db2.gz LQOITSDQCIUOLN-NCXUSEDFSA-N 2 0 335.536 3.007 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000662317674 461189422 /nfs/dbraw/zinc/18/94/22/461189422.db2.gz ZFDMMOOMSGIJGF-NSHGMRRFSA-N 2 0 332.488 3.019 20 0 EGADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](c3nccn3C)C3CC3)C2)c1 ZINC000638008044 461193584 /nfs/dbraw/zinc/19/35/84/461193584.db2.gz WDWONSSTQGGBCQ-MAUKXSAKSA-N 2 0 325.460 3.009 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662381635 461224311 /nfs/dbraw/zinc/22/43/11/461224311.db2.gz YLYOPROHIRIDLR-PZJWPPBQSA-N 2 0 349.478 3.002 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])c2cccc(OC)c2)c1 ZINC000638067773 461225970 /nfs/dbraw/zinc/22/59/70/461225970.db2.gz UTFWVDUOTLWDHH-IBGZPJMESA-N 2 0 341.455 3.176 20 0 EGADRP CC[C@H](OCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000649623881 461228916 /nfs/dbraw/zinc/22/89/16/461228916.db2.gz GNXRIHOALGVNGA-FQEVSTJZSA-N 2 0 347.547 3.160 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000662459298 461250901 /nfs/dbraw/zinc/25/09/01/461250901.db2.gz FXRNYUOMESGRNZ-QYZOEREBSA-N 2 0 337.552 3.111 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000662463547 461254201 /nfs/dbraw/zinc/25/42/01/461254201.db2.gz ZOKXUTIDFYHOIY-MSOLQXFVSA-N 2 0 345.531 3.339 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000662511243 461277521 /nfs/dbraw/zinc/27/75/21/461277521.db2.gz QGHBTCWQIUJOFC-SFHVURJKSA-N 2 0 331.504 3.275 20 0 EGADRP Cc1ccc(CCC[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000668512858 461309182 /nfs/dbraw/zinc/30/91/82/461309182.db2.gz QOVCAKKLUFCNEM-UHFFFAOYSA-N 2 0 338.499 3.219 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000638275479 461343227 /nfs/dbraw/zinc/34/32/27/461343227.db2.gz SNMAVIFFSGGKOO-QFIPXVFZSA-N 2 0 337.511 3.116 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638280406 461345900 /nfs/dbraw/zinc/34/59/00/461345900.db2.gz FJOPRXALYYLQKT-NRSPTQNISA-N 2 0 327.516 3.428 20 0 EGADRP CC(C)C[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000659469089 461358910 /nfs/dbraw/zinc/35/89/10/461358910.db2.gz KFXSITYXTFBTQZ-WMZOPIPTSA-N 2 0 348.535 3.131 20 0 EGADRP CC(C)O[C@@H](C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000638351851 461379911 /nfs/dbraw/zinc/37/99/11/461379911.db2.gz IHZAMOLMLCLEBL-SFTDATJTSA-N 2 0 347.547 3.014 20 0 EGADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000641807096 461382316 /nfs/dbraw/zinc/38/23/16/461382316.db2.gz QIWGAUGRELBIBN-RYUDHWBXSA-N 2 0 330.259 3.037 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CC2 ZINC000655733917 461401558 /nfs/dbraw/zinc/40/15/58/461401558.db2.gz VCBLZUVQUVUVHS-XUVXKRRUSA-N 2 0 328.500 3.258 20 0 EGADRP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000655762089 461428995 /nfs/dbraw/zinc/42/89/95/461428995.db2.gz AKUBGAALYDNCLK-LEWJYISDSA-N 2 0 349.563 3.017 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000638451807 461435963 /nfs/dbraw/zinc/43/59/63/461435963.db2.gz RCEBDYVODUILMK-UHFFFAOYSA-N 2 0 330.394 3.030 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082547 461446110 /nfs/dbraw/zinc/44/61/10/461446110.db2.gz KKSRKIANURRYME-SFHVURJKSA-N 2 0 349.950 3.205 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccn(C)n1 ZINC000666127162 461462618 /nfs/dbraw/zinc/46/26/18/461462618.db2.gz HWEKWMCTCRIQLD-MCNSAMFCSA-N 2 0 338.499 3.371 20 0 EGADRP CC[C@@H](CC(F)F)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000659866512 461468205 /nfs/dbraw/zinc/46/82/05/461468205.db2.gz SYRQCBBHAAZWIL-BBWFWOEESA-N 2 0 331.495 3.158 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC[C@H]1[NH3+] ZINC000647009537 461481515 /nfs/dbraw/zinc/48/15/15/461481515.db2.gz FNIOCQXBGKEUME-IEBWSBKVSA-N 2 0 331.504 3.116 20 0 EGADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000642339827 461498880 /nfs/dbraw/zinc/49/88/80/461498880.db2.gz AYYJLIGDOWICEG-RLLQIKCJSA-N 2 0 344.547 3.384 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000631063244 461515411 /nfs/dbraw/zinc/51/54/11/461515411.db2.gz JAZNMQVUFKMEJM-TUYSUELWSA-N 2 0 329.532 3.098 20 0 EGADRP COc1ccccc1N1CCC([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000631063360 461515637 /nfs/dbraw/zinc/51/56/37/461515637.db2.gz CNEDWBRIJSBOQQ-SFHVURJKSA-N 2 0 345.531 3.374 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(F)c4ccccc34)C2)CC1 ZINC000631070085 461521697 /nfs/dbraw/zinc/52/16/97/461521697.db2.gz MBMNZYCCLIMNFG-QGZVFWFLSA-N 2 0 341.474 3.237 20 0 EGADRP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000666253090 461529600 /nfs/dbraw/zinc/52/96/00/461529600.db2.gz LVTHDKYAGOCHND-INIZCTEOSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000638680376 461533211 /nfs/dbraw/zinc/53/32/11/461533211.db2.gz CATVBHBPQAGSFI-QUCCMNQESA-N 2 0 330.516 3.223 20 0 EGADRP Cc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c(Cl)c1 ZINC000655940745 461546548 /nfs/dbraw/zinc/54/65/48/461546548.db2.gz WSFYOPLMUPAGSD-UHFFFAOYSA-N 2 0 330.863 3.285 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000631113658 461561640 /nfs/dbraw/zinc/56/16/40/461561640.db2.gz JIJKAMCIOIVQLP-PXDRNWIDSA-N 2 0 329.532 3.241 20 0 EGADRP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343723 461571684 /nfs/dbraw/zinc/57/16/84/461571684.db2.gz CMBCOKRPSKMGLE-FPOVZHCZSA-N 2 0 344.499 3.066 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(CO)cc1 ZINC000647229544 461575157 /nfs/dbraw/zinc/57/51/57/461575157.db2.gz XSMAQKCZBUCTJL-UHFFFAOYSA-N 2 0 326.484 3.427 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)cc1 ZINC000643058189 461599206 /nfs/dbraw/zinc/59/92/06/461599206.db2.gz LKTKDSAWINFTGE-RHSMWYFYSA-N 2 0 328.431 3.496 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647282679 461610711 /nfs/dbraw/zinc/61/07/11/461610711.db2.gz LNUUCJTXVXCPDW-OAQYLSRUSA-N 2 0 347.547 3.400 20 0 EGADRP CC(C)OCC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666463078 461643041 /nfs/dbraw/zinc/64/30/41/461643041.db2.gz GHGLMIOHYAQHOR-UHFFFAOYSA-N 2 0 334.504 3.454 20 0 EGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469961 461660382 /nfs/dbraw/zinc/66/03/82/461660382.db2.gz RZQXGPYGQXHUQF-TZIWHRDSSA-N 2 0 348.506 3.485 20 0 EGADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000643453513 461730218 /nfs/dbraw/zinc/73/02/18/461730218.db2.gz IXJUYGYJVARMRZ-QXAKKESOSA-N 2 0 327.472 3.229 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000647498317 461735760 /nfs/dbraw/zinc/73/57/60/461735760.db2.gz FDOWXRFETBYTEJ-XLIONFOSSA-N 2 0 325.456 3.220 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC[C@H]1[NH3+] ZINC000647498561 461736746 /nfs/dbraw/zinc/73/67/46/461736746.db2.gz KDKRYPZULDTQPY-DNVCBOLYSA-N 2 0 330.451 3.187 20 0 EGADRP CC(C)O[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000639116315 461737005 /nfs/dbraw/zinc/73/70/05/461737005.db2.gz FFQMRPFRIKZXRT-ICSRJNTNSA-N 2 0 334.504 3.243 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000643480245 461743265 /nfs/dbraw/zinc/74/32/65/461743265.db2.gz KMXHTYNCVIKFHP-WOZUAGRISA-N 3 0 327.516 3.019 20 0 EGADRP Clc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000647542711 461754671 /nfs/dbraw/zinc/75/46/71/461754671.db2.gz AMQSPWQDBZZSNA-HUUCEWRRSA-N 2 0 332.879 3.199 20 0 EGADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000647543479 461756366 /nfs/dbraw/zinc/75/63/66/461756366.db2.gz OFGNCXHOFRRQFX-IRXDYDNUSA-N 2 0 330.472 3.060 20 0 EGADRP Brc1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543941 461758856 /nfs/dbraw/zinc/75/88/56/461758856.db2.gz URYDVXNDQDBTOL-CABCVRRESA-N 2 0 338.293 3.056 20 0 EGADRP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC000647544081 461758895 /nfs/dbraw/zinc/75/88/95/461758895.db2.gz WMXCDIFKNMJSFZ-CVEARBPZSA-N 2 0 330.501 3.145 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647550533 461763182 /nfs/dbraw/zinc/76/31/82/461763182.db2.gz WVZYCPHRTDSLIX-RRFJBIMHSA-N 2 0 328.378 3.105 20 0 EGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549830 461763232 /nfs/dbraw/zinc/76/32/32/461763232.db2.gz SNZAPZVELUGWBC-WCXIOVBPSA-N 2 0 334.529 3.401 20 0 EGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000653617353 461764030 /nfs/dbraw/zinc/76/40/30/461764030.db2.gz YWJZKGYYWWJSAR-PKOBYXMFSA-N 2 0 344.503 3.230 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498703 461768131 /nfs/dbraw/zinc/76/81/31/461768131.db2.gz AHABNLNORGWSAS-IJXRJRJASA-N 2 0 346.540 3.399 20 0 EGADRP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176635 461782203 /nfs/dbraw/zinc/78/22/03/461782203.db2.gz INTUPJMASYMSDW-OAHLLOKOSA-N 2 0 336.451 3.007 20 0 EGADRP C(=C/C[N@@H+]1CC[C@H](c2ccncc2)C1)\C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653681283 461805240 /nfs/dbraw/zinc/80/52/40/461805240.db2.gz LCYZHJDXGVUJNL-HNSCLNPNSA-N 2 0 348.494 3.312 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000639210749 461806239 /nfs/dbraw/zinc/80/62/39/461806239.db2.gz JAFAYHOWMCNVFA-FZMZJTMJSA-N 2 0 344.286 3.394 20 0 EGADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647784420 461833600 /nfs/dbraw/zinc/83/36/00/461833600.db2.gz TUXMACQEMFSZKV-KCQAQPDRSA-N 2 0 341.268 3.108 20 0 EGADRP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788105 461835592 /nfs/dbraw/zinc/83/55/92/461835592.db2.gz CJCQWQFNQJLJNT-UHIISALHSA-N 2 0 330.806 3.419 20 0 EGADRP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647792029 461836908 /nfs/dbraw/zinc/83/69/08/461836908.db2.gz ROTSDWVXFWFAIY-XCJLJZCSSA-N 2 0 328.500 3.448 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000647790003 461836952 /nfs/dbraw/zinc/83/69/52/461836952.db2.gz PFFMRMXURVHVFC-MDNKFWRPSA-N 2 0 344.499 3.031 20 0 EGADRP Fc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656677153 461837050 /nfs/dbraw/zinc/83/70/50/461837050.db2.gz NOCJHUAUPMCULC-FQEVSTJZSA-N 2 0 332.463 3.294 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000647790004 461837267 /nfs/dbraw/zinc/83/72/67/461837267.db2.gz PFFMRMXURVHVFC-VBSBHUPXSA-N 2 0 344.499 3.031 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000647796998 461840029 /nfs/dbraw/zinc/84/00/29/461840029.db2.gz UJASPKQYDTUYNW-XCJLJZCSSA-N 2 0 345.531 3.054 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000647797853 461840438 /nfs/dbraw/zinc/84/04/38/461840438.db2.gz FMZGXASJRSGXCZ-WTTBNOFXSA-N 2 0 342.405 3.107 20 0 EGADRP CO[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000669930974 461842032 /nfs/dbraw/zinc/84/20/32/461842032.db2.gz MICLYGZGFCCQAR-GOSISDBHSA-N 2 0 331.847 3.245 20 0 EGADRP FC(F)(F)c1ccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814807 461850124 /nfs/dbraw/zinc/85/01/24/461850124.db2.gz HETGVRWJWJPHOU-UHFFFAOYSA-N 2 0 328.378 3.301 20 0 EGADRP CCCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(OCCC)c1 ZINC000666951046 461885345 /nfs/dbraw/zinc/88/53/45/461885345.db2.gz ZIRYHNNSEBUDOE-IBGZPJMESA-N 2 0 332.488 3.496 20 0 EGADRP CC[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CC[C@H]1[NH3+] ZINC000647934607 461893099 /nfs/dbraw/zinc/89/30/99/461893099.db2.gz KFSDNIAZJNVVFW-XHDPSFHLSA-N 2 0 345.256 3.026 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785514 461895348 /nfs/dbraw/zinc/89/53/48/461895348.db2.gz LFHZMSWTCRBMDJ-GOSISDBHSA-N 2 0 332.488 3.306 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647938873 461895751 /nfs/dbraw/zinc/89/57/51/461895751.db2.gz WINZAFPRCHJZBM-YLJYHZDGSA-N 2 0 337.467 3.498 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000650707061 461899256 /nfs/dbraw/zinc/89/92/56/461899256.db2.gz XSGRQDISWSHKAB-ZSZQSSIHSA-N 2 0 343.446 3.092 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc2cccnc12 ZINC000650707219 461900408 /nfs/dbraw/zinc/90/04/08/461900408.db2.gz ANIXLCCFDLFHJJ-SLFFLAALSA-N 2 0 339.483 3.262 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000650707353 461900976 /nfs/dbraw/zinc/90/09/76/461900976.db2.gz DHJMQMWYKPVMSL-OUCADQQQSA-N 2 0 348.434 3.485 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)[C@@H]1CC[NH3+] ZINC000650711510 461905659 /nfs/dbraw/zinc/90/56/59/461905659.db2.gz WCGFXSBKUGYQAZ-NSISKUIASA-N 2 0 332.488 3.194 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654990 461905825 /nfs/dbraw/zinc/90/58/25/461905825.db2.gz JXLQMSBCMFIGPQ-BEFAXECRSA-N 2 0 326.444 3.215 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(C[NH3+])cc2F)CC1 ZINC000650717907 461909238 /nfs/dbraw/zinc/90/92/38/461909238.db2.gz QJNKVRFPNOHMFE-YWZLYKJASA-N 2 0 333.495 3.417 20 0 EGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965113 461910913 /nfs/dbraw/zinc/91/09/13/461910913.db2.gz HEPOCSUPUSGJFD-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCSc1ccc(F)cc1F)C2 ZINC000660664657 461912703 /nfs/dbraw/zinc/91/27/03/461912703.db2.gz RISYUQUBWAWQHA-KRWDZBQOSA-N 2 0 326.456 3.475 20 0 EGADRP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2n1 ZINC000650723350 461913983 /nfs/dbraw/zinc/91/39/83/461913983.db2.gz MGWDQDKXGWKJIE-HMXCVIKNSA-N 2 0 339.483 3.404 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000650724070 461915948 /nfs/dbraw/zinc/91/59/48/461915948.db2.gz XWDPWFQFTAATKB-OIISXLGYSA-N 2 0 326.843 3.340 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975328 461917711 /nfs/dbraw/zinc/91/77/11/461917711.db2.gz WIFKUCHHGXQMFZ-HOTGVXAUSA-N 2 0 349.906 3.299 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647976270 461918157 /nfs/dbraw/zinc/91/81/57/461918157.db2.gz MGGUHLBZWSFGMA-BBWFWOEESA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647976112 461919026 /nfs/dbraw/zinc/91/90/26/461919026.db2.gz KECWMMSEWRHIQK-ULQDDVLXSA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647976272 461919156 /nfs/dbraw/zinc/91/91/56/461919156.db2.gz MGGUHLBZWSFGMA-ULQDDVLXSA-N 2 0 347.478 3.173 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1c(Cl)oc3ccccc31)CCO2 ZINC000648072032 461968066 /nfs/dbraw/zinc/96/80/66/461968066.db2.gz IFGYZWFPWPUIDL-UHFFFAOYSA-N 2 0 334.847 3.383 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1ccc3c(c1)CCC(C)(C)O3)CCO2 ZINC000648071514 461968530 /nfs/dbraw/zinc/96/85/30/461968530.db2.gz GITWVHWJCXKZRL-UHFFFAOYSA-N 2 0 344.499 3.087 20 0 EGADRP CCc1cccc2cc(C[NH2+]CCCC[NH+]3CCN(C)CC3)oc21 ZINC000657308409 462032271 /nfs/dbraw/zinc/03/22/71/462032271.db2.gz RUPITJDQQDNZMG-UHFFFAOYSA-N 2 0 329.488 3.112 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657310715 462034361 /nfs/dbraw/zinc/03/43/61/462034361.db2.gz RPTOFJBVDDQUKX-QGZVFWFLSA-N 2 0 338.499 3.494 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C[NH+]1CCCCC1 ZINC000657316234 462040636 /nfs/dbraw/zinc/04/06/36/462040636.db2.gz CPSBGJRCERWNQH-FXAWDEMLSA-N 2 0 332.488 3.066 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657377385 462082155 /nfs/dbraw/zinc/08/21/55/462082155.db2.gz SRKGZHKNWLLGBX-UHFFFAOYSA-N 2 0 340.309 3.364 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)cc21 ZINC000657398926 462097221 /nfs/dbraw/zinc/09/72/21/462097221.db2.gz FZXYJRPQFASIAC-LEWJYISDSA-N 2 0 341.499 3.334 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000648413184 462107819 /nfs/dbraw/zinc/10/78/19/462107819.db2.gz DXGFPICZVAABLO-KJNZLNQQSA-N 2 0 346.515 3.343 20 0 EGADRP Cc1c(Br)cncc1CN1CCC(c2ncc[nH]2)CC1 ZINC000667564227 462145751 /nfs/dbraw/zinc/14/57/51/462145751.db2.gz FWYQYHSAHBRNNU-UHFFFAOYSA-N 2 0 335.249 3.255 20 0 EGADRP CC[C@@](C)([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000639927324 462178439 /nfs/dbraw/zinc/17/84/39/462178439.db2.gz FRSAUSXCVJJSHA-HXUWFJFHSA-N 2 0 349.494 3.030 20 0 EGADRP CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657563740 462181569 /nfs/dbraw/zinc/18/15/69/462181569.db2.gz UWLLZPLERMWDPH-IBGZPJMESA-N 2 0 345.531 3.124 20 0 EGADRP CCc1nc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000657611944 462203901 /nfs/dbraw/zinc/20/39/01/462203901.db2.gz FRGFHJJJBCLZDJ-UHFFFAOYSA-N 2 0 330.501 3.102 20 0 EGADRP C[C@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000651406820 462216359 /nfs/dbraw/zinc/21/63/59/462216359.db2.gz PYYNVAMMMFCOMJ-GUYCJALGSA-N 2 0 344.421 3.449 20 0 EGADRP Fc1ccc(COc2ccccc2CN2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000667713005 462227672 /nfs/dbraw/zinc/22/76/72/462227672.db2.gz VGYWNLQYWSRTBY-CALCHBBNSA-N 2 0 344.405 3.195 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731561 462235370 /nfs/dbraw/zinc/23/53/70/462235370.db2.gz XEVWBKMCSHTRMW-UHFFFAOYSA-N 2 0 340.471 3.307 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2ccncc2s1 ZINC000657878360 462305407 /nfs/dbraw/zinc/30/54/07/462305407.db2.gz GYFOKKIWNITYLA-GOEBONIOSA-N 2 0 333.501 3.184 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OCC)CC2)[C@H](C)C1 ZINC000657884205 462306870 /nfs/dbraw/zinc/30/68/70/462306870.db2.gz MXNRTSRRKAFAEJ-UGXKVIGPSA-N 2 0 326.525 3.061 20 0 EGADRP OCCN1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657942943 462324539 /nfs/dbraw/zinc/32/45/39/462324539.db2.gz GHYUXILKBWIBDT-MJGOQNOKSA-N 2 0 336.907 3.413 20 0 EGADRP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000651752817 462325676 /nfs/dbraw/zinc/32/56/76/462325676.db2.gz VQQQFTSVUAKWNR-APWZRJJASA-N 2 0 331.504 3.036 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000645486114 462344390 /nfs/dbraw/zinc/34/43/90/462344390.db2.gz XBMKGJSFJCUZNV-LSDHHAIUSA-N 2 0 330.451 3.392 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658069585 462365852 /nfs/dbraw/zinc/36/58/52/462365852.db2.gz PJXLZSFQHLRGCQ-NRFANRHFSA-N 2 0 344.499 3.163 20 0 EGADRP COCc1csc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665263676 462375385 /nfs/dbraw/zinc/37/53/85/462375385.db2.gz RQDNSKKBGKHIFC-PKOBYXMFSA-N 2 0 344.480 3.240 20 0 EGADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000665264802 462376009 /nfs/dbraw/zinc/37/60/09/462376009.db2.gz IJEMKVBTSNYTNW-DAXOMENPSA-N 2 0 329.271 3.240 20 0 EGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000665289215 462386833 /nfs/dbraw/zinc/38/68/33/462386833.db2.gz JCBNQAYZHCOFSC-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1(CO)CC1 ZINC000658154238 462408629 /nfs/dbraw/zinc/40/86/29/462408629.db2.gz KHEHFAYZUNIVRG-MTFMMBMASA-N 2 0 328.500 3.180 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658163721 462413047 /nfs/dbraw/zinc/41/30/47/462413047.db2.gz AESCBQYBMLQXIO-WOJBJXKFSA-N 2 0 345.531 3.475 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000658165270 462414644 /nfs/dbraw/zinc/41/46/44/462414644.db2.gz HQNVYMUCPCZKOC-HNNXBMFYSA-N 2 0 328.435 3.179 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000658166327 462415109 /nfs/dbraw/zinc/41/51/09/462415109.db2.gz NTHIISKKOODILD-FQEVSTJZSA-N 2 0 331.504 3.088 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(CO)c1 ZINC000658167730 462416027 /nfs/dbraw/zinc/41/60/27/462416027.db2.gz TZBCCQYKPVCDTN-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1ccccc1F ZINC000640532349 462431516 /nfs/dbraw/zinc/43/15/16/462431516.db2.gz XSZBUHSLEJDYCU-UHFFFAOYSA-N 2 0 335.467 3.352 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000640534579 462432781 /nfs/dbraw/zinc/43/27/81/462432781.db2.gz QABYXBPDYGDDCB-LJQANCHMSA-N 2 0 335.536 3.118 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000658256992 462445672 /nfs/dbraw/zinc/44/56/72/462445672.db2.gz XYSYAHWLWWRFIP-QNGMFEMESA-N 2 0 330.516 3.428 20 0 EGADRP CO[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000658318053 462474548 /nfs/dbraw/zinc/47/45/48/462474548.db2.gz YAFGTLJQYKRNBH-OXQOHEQNSA-N 2 0 334.504 3.483 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC1([NH3+])CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000645964371 462480317 /nfs/dbraw/zinc/48/03/17/462480317.db2.gz GSFVQIXSJAPOOG-SJLPKXTDSA-N 2 0 331.504 3.140 20 0 EGADRP [NH3+][C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000649343208 462482087 /nfs/dbraw/zinc/48/20/87/462482087.db2.gz ODAVTQWEJNERCD-GOSISDBHSA-N 2 0 349.906 3.253 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000658345294 462484429 /nfs/dbraw/zinc/48/44/29/462484429.db2.gz XPDAVKHCCQDCHI-WOJBJXKFSA-N 2 0 343.515 3.192 20 0 EGADRP CC[N@H+](CCC[NH2+][C@H](COC)C1CCOCC1)C1CCCCC1 ZINC000652238162 462485357 /nfs/dbraw/zinc/48/53/57/462485357.db2.gz VSAXIDDKLJPVQW-LJQANCHMSA-N 2 0 326.525 3.062 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000658358809 462490150 /nfs/dbraw/zinc/49/01/50/462490150.db2.gz YUPFNTZSSZCNPI-MRXNPFEDSA-N 2 0 346.515 3.346 20 0 EGADRP O[C@H]1CC[N@@H+](C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)C1 ZINC000662150915 462532137 /nfs/dbraw/zinc/53/21/37/462532137.db2.gz CBHHHDQKXUNTNA-ZNIKRAEXSA-N 2 0 342.527 3.491 20 0 EGADRP CC(C)c1cc(NCc2ccc(C[NH+](C)C)c(F)c2)nc(N(C)C)[nH+]1 ZINC000535686308 478219399 /nfs/dbraw/zinc/21/93/99/478219399.db2.gz NJQUUQIYLYFMLM-UHFFFAOYSA-N 2 0 345.466 3.479 20 0 EGADRP C[C@H](NC1CC[NH+](CC2CC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178254765 533808415 /nfs/dbraw/zinc/80/84/15/533808415.db2.gz NHYFDKOEFPNZCI-KRWDZBQOSA-N 2 0 345.531 3.152 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000181519703 527987731 /nfs/dbraw/zinc/98/77/31/527987731.db2.gz BWQQTYGMJSXIJM-MFEFFIJZSA-N 2 0 336.545 3.443 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000181875609 528037741 /nfs/dbraw/zinc/03/77/41/528037741.db2.gz HXUGDXXXLMWIED-GDBMZVCRSA-N 2 0 334.460 3.449 20 0 EGADRP CC[NH+](CC)CCCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000131421968 528112870 /nfs/dbraw/zinc/11/28/70/528112870.db2.gz YDFCGNMOOXKCJE-UHFFFAOYSA-N 2 0 335.511 3.154 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000177936593 528204032 /nfs/dbraw/zinc/20/40/32/528204032.db2.gz JFXIUMYKNIHCBM-HXUWFJFHSA-N 2 0 330.472 3.373 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000159120664 528228481 /nfs/dbraw/zinc/22/84/81/528228481.db2.gz CMGKSDRFTSDDQF-FQEVSTJZSA-N 2 0 338.499 3.464 20 0 EGADRP CCOc1ccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1OCC ZINC000154900925 528425324 /nfs/dbraw/zinc/42/53/24/528425324.db2.gz QCILPDQFWAWPJC-AEFFLSMTSA-N 2 0 334.504 3.346 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187765875 529145327 /nfs/dbraw/zinc/14/53/27/529145327.db2.gz HFQNRKRHNIXPJD-SFTDATJTSA-N 2 0 329.532 3.114 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187856996 529147154 /nfs/dbraw/zinc/14/71/54/529147154.db2.gz NOHVBKGUQHYGTH-DLBZAZTESA-N 2 0 337.939 3.307 20 0 EGADRP CCC(CC)(CNC(=O)CC1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000236829719 534949568 /nfs/dbraw/zinc/94/95/68/534949568.db2.gz MKNRLLIMPKMIDL-QGZVFWFLSA-N 2 0 345.531 3.402 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000344798180 535580327 /nfs/dbraw/zinc/58/03/27/535580327.db2.gz BKQRWXIWQHUKII-FUHWJXTLSA-N 2 0 329.492 3.257 20 0 EGADRP Cn1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(C2CCCCC2)n1 ZINC000346216814 535892491 /nfs/dbraw/zinc/89/24/91/535892491.db2.gz LBPBXKJQKDELGU-UHFFFAOYSA-N 2 0 348.535 3.010 20 0 EGADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1F ZINC000245543244 535990724 /nfs/dbraw/zinc/99/07/24/535990724.db2.gz ADURGIYCKXJDCZ-QXAKKESOSA-N 2 0 332.463 3.325 20 0 EGADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000089514027 546645039 /nfs/dbraw/zinc/64/50/39/546645039.db2.gz DXCCWHDZHLZOSS-JKSUJKDBSA-N 2 0 331.504 3.491 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000152643587 546873201 /nfs/dbraw/zinc/87/32/01/546873201.db2.gz XDMVIICENPSWAO-UHFFFAOYSA-N 2 0 337.895 3.441 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166350462 546987946 /nfs/dbraw/zinc/98/79/46/546987946.db2.gz XKDOZPCVGDVOSD-PZJWPPBQSA-N 2 0 338.499 3.330 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339072790 547569517 /nfs/dbraw/zinc/56/95/17/547569517.db2.gz XTSDZLCVIUMSIZ-HKBOAZHASA-N 2 0 329.532 3.156 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000352089164 547680572 /nfs/dbraw/zinc/68/05/72/547680572.db2.gz HZAKMFQQEJNDTO-JENIJYKNSA-N 2 0 348.535 3.016 20 0 EGADRP Brc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000414837478 547860710 /nfs/dbraw/zinc/86/07/10/547860710.db2.gz KEBKUSZLKKVBRS-CYBMUJFWSA-N 2 0 348.288 3.477 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000414928076 547861491 /nfs/dbraw/zinc/86/14/91/547861491.db2.gz PVIBCILQZRXSTF-CABCVRRESA-N 2 0 338.377 3.455 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1Cl ZINC000425951161 547885553 /nfs/dbraw/zinc/88/55/53/547885553.db2.gz MAWDYAMULMUVIL-TZMCWYRMSA-N 2 0 325.884 3.153 20 0 EGADRP Cc1n[nH]cc1C1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000671309375 548276536 /nfs/dbraw/zinc/27/65/36/548276536.db2.gz GXAHAQGBCVSGFF-UHFFFAOYSA-N 2 0 342.487 3.038 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000673652010 548590090 /nfs/dbraw/zinc/59/00/90/548590090.db2.gz XKKRLAPXQLLFOS-UXHICEINSA-N 2 0 345.531 3.135 20 0 EGADRP OCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000674375827 548742555 /nfs/dbraw/zinc/74/25/55/548742555.db2.gz VFHKLDBOFYTWIL-UHFFFAOYSA-N 2 0 346.515 3.194 20 0 EGADRP COc1ccccc1N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000675792589 548982229 /nfs/dbraw/zinc/98/22/29/548982229.db2.gz LUCZGCGBWSHVET-UHFFFAOYSA-N 2 0 343.515 3.128 20 0 EGADRP CC1(C)C[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000677748088 549325241 /nfs/dbraw/zinc/32/52/41/549325241.db2.gz DTWYQXJEBZYXSZ-UFYCRDLUSA-N 2 0 327.516 3.256 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCCc2cnn(C)c2)CC1)CC(C)C ZINC000678634667 549535530 /nfs/dbraw/zinc/53/55/30/549535530.db2.gz KXEPLFCGOWWYNF-UHFFFAOYSA-N 2 0 334.552 3.433 20 0 EGADRP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000679721608 549768587 /nfs/dbraw/zinc/76/85/87/549768587.db2.gz PJBKEALBKNDJID-XUVXKRRUSA-N 2 0 328.500 3.182 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000680140306 549826692 /nfs/dbraw/zinc/82/66/92/549826692.db2.gz BGMKDNQQDBJMFX-MOPGFXCFSA-N 2 0 346.515 3.456 20 0 EGADRP COc1ccc(COCC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000680401248 549862525 /nfs/dbraw/zinc/86/25/25/549862525.db2.gz LSIZWMJTUVNMIF-HKUYNNGSSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401524 549992964 /nfs/dbraw/zinc/99/29/64/549992964.db2.gz HIDFNIDNAMEFIP-LAUBAEHRSA-N 2 0 329.532 3.217 20 0 EGADRP COc1cc(C)c([C@H](C)[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C ZINC000681642610 550021433 /nfs/dbraw/zinc/02/14/33/550021433.db2.gz VSLNYRQBLVUQFE-IBGZPJMESA-N 2 0 345.531 3.086 20 0 EGADRP C[C@@H]1SCC[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000682161352 550079658 /nfs/dbraw/zinc/07/96/58/550079658.db2.gz RHNWWYNWHKHKLC-BBRMVZONSA-N 2 0 339.936 3.075 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683769873 550259596 /nfs/dbraw/zinc/25/95/96/550259596.db2.gz FOFWJMUASNQWNZ-DYESRHJHSA-N 2 0 341.499 3.461 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[NH+]1CCCCCC1 ZINC000684851108 550376710 /nfs/dbraw/zinc/37/67/10/550376710.db2.gz YLUWYPNWAORLCR-INIZCTEOSA-N 2 0 338.455 3.450 20 0 EGADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685471426 550421323 /nfs/dbraw/zinc/42/13/23/550421323.db2.gz VVJZTEDTUQPDAI-IBGZPJMESA-N 2 0 342.487 3.304 20 0 EGADRP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC(C)(C)C1 ZINC000685849217 550448139 /nfs/dbraw/zinc/44/81/39/550448139.db2.gz OLZYFUAICCSLNI-SFHVURJKSA-N 2 0 334.504 3.407 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000685850672 550448250 /nfs/dbraw/zinc/44/82/50/550448250.db2.gz CVOVWRCELWQDMK-VQTJNVASSA-N 2 0 344.499 3.161 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)cc(=O)oc2c1 ZINC000729265865 574834761 /nfs/dbraw/zinc/83/47/61/574834761.db2.gz QTHZPHQCLLQTBP-QGZVFWFLSA-N 2 0 337.423 3.389 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000729348140 574844905 /nfs/dbraw/zinc/84/49/05/574844905.db2.gz MFTITTNIOKOPOA-OTWHNJEPSA-N 2 0 335.536 3.116 20 0 EGADRP CC[NH+](CC)CCCN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000731846892 575211828 /nfs/dbraw/zinc/21/18/28/575211828.db2.gz QVPRLRHGVSSTIX-MRXNPFEDSA-N 2 0 343.309 3.146 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397914141 1297707021 /nfs/dbraw/zinc/70/70/21/1297707021.db2.gz CPTUYYPWRMSVBQ-HOTGVXAUSA-N 2 0 339.524 3.141 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000687676931 1298121597 /nfs/dbraw/zinc/12/15/97/1298121597.db2.gz DYMXYFNEORAJJB-LUKYLMHMSA-N 2 0 339.524 3.190 20 0 EGADRP Cc1c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)sc2nc(C)nc(C)c12 ZINC000030906899 1291356832 /nfs/dbraw/zinc/35/68/32/1291356832.db2.gz OGBAQKJLHKOORH-AWEZNQCLSA-N 2 0 330.501 3.190 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000048779509 1291618211 /nfs/dbraw/zinc/61/82/11/1291618211.db2.gz VIRJPPUBPJQPKN-INIZCTEOSA-N 2 0 342.487 3.297 20 0 EGADRP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000058884045 1291905753 /nfs/dbraw/zinc/90/57/53/1291905753.db2.gz NAWOOHVWLXSKDM-NSHGMRRFSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000067222688 1292154643 /nfs/dbraw/zinc/15/46/43/1292154643.db2.gz VLXJZJSYHSTWLH-FQEVSTJZSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(C(C)(C)C)s2)C[C@@H](C)O1 ZINC000067452581 1292160656 /nfs/dbraw/zinc/16/06/56/1292160656.db2.gz WDCDLHGTKBSFJO-HUUCEWRRSA-N 2 0 339.549 3.420 20 0 EGADRP Cc1noc(C)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067977868 1292179405 /nfs/dbraw/zinc/17/94/05/1292179405.db2.gz QEWWSGBABQXLEG-UHFFFAOYSA-N 2 0 329.444 3.056 20 0 EGADRP CCOc1ccccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000069711450 1292249996 /nfs/dbraw/zinc/24/99/96/1292249996.db2.gz WEURJOYCSCYGIZ-UHFFFAOYSA-N 2 0 328.456 3.316 20 0 EGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000073184199 1292309386 /nfs/dbraw/zinc/30/93/86/1292309386.db2.gz PKZJKJGPKOIZQT-IBGZPJMESA-N 2 0 336.439 3.136 20 0 EGADRP C[C@@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000827864320 1292389190 /nfs/dbraw/zinc/38/91/90/1292389190.db2.gz UVXZBWJWZHCAQB-PKOBYXMFSA-N 2 0 349.563 3.173 20 0 EGADRP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000078911084 1292535154 /nfs/dbraw/zinc/53/51/54/1292535154.db2.gz ZURDTDSJOHCVJJ-QGZVFWFLSA-N 2 0 332.488 3.448 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000105442202 1293036688 /nfs/dbraw/zinc/03/66/88/1293036688.db2.gz QVYXNHBLVROWAZ-HNNXBMFYSA-N 2 0 343.437 3.069 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000105459190 1293040162 /nfs/dbraw/zinc/04/01/62/1293040162.db2.gz XIJNXBCSQJMENE-UHFFFAOYSA-N 2 0 330.451 3.060 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000119886734 1293292244 /nfs/dbraw/zinc/29/22/44/1293292244.db2.gz NLGMHAHLYSQRPA-IBGZPJMESA-N 2 0 337.939 3.318 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)cc(Cl)cc2C)CC1 ZINC000120120705 1293305600 /nfs/dbraw/zinc/30/56/00/1293305600.db2.gz WPONRLCLPPDVHU-OAHLLOKOSA-N 2 0 337.939 3.320 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000150984998 1293901354 /nfs/dbraw/zinc/90/13/54/1293901354.db2.gz PEQVRTDOROTMND-AWEZNQCLSA-N 2 0 339.530 3.318 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000151939449 1293945869 /nfs/dbraw/zinc/94/58/69/1293945869.db2.gz SVPPTTSRNCLDRZ-OAHLLOKOSA-N 2 0 330.451 3.426 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)cc1C ZINC000152344723 1293964529 /nfs/dbraw/zinc/96/45/29/1293964529.db2.gz PPELFTPWFBRLQR-MRXNPFEDSA-N 2 0 343.309 3.204 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152909082 1293989890 /nfs/dbraw/zinc/98/98/90/1293989890.db2.gz OTCPVKAKKMMORB-PXNSSMCTSA-N 2 0 345.531 3.078 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000161088766 1294284434 /nfs/dbraw/zinc/28/44/34/1294284434.db2.gz CWGSPYLTPRZWAI-RXVVDRJESA-N 2 0 344.547 3.184 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000161476037 1294293720 /nfs/dbraw/zinc/29/37/20/1294293720.db2.gz PONQFZWKSWRJNS-BDJLRTHQSA-N 2 0 331.287 3.347 20 0 EGADRP O=C(Nc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1ccco1 ZINC000166071937 1294360384 /nfs/dbraw/zinc/36/03/84/1294360384.db2.gz JVVVSPIMZPLUBM-FUHWJXTLSA-N 2 0 339.439 3.248 20 0 EGADRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179435735 1294793741 /nfs/dbraw/zinc/79/37/41/1294793741.db2.gz DKTMXPQIFBURLB-LJQANCHMSA-N 2 0 349.482 3.120 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C/C=C/Cl)CC1 ZINC000181642662 1294981448 /nfs/dbraw/zinc/98/14/48/1294981448.db2.gz GCPQQTILOAFZOX-BTKRWWFXSA-N 2 0 325.859 3.371 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCn2ccnc2)cc1C[NH+]1CCCCC1 ZINC000182218008 1295027807 /nfs/dbraw/zinc/02/78/07/1295027807.db2.gz GSAKDGCSVFMMFH-KRWDZBQOSA-N 2 0 342.487 3.228 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCCO)cc1C[NH+]1CCCCC1 ZINC000183104609 1295098017 /nfs/dbraw/zinc/09/80/17/1295098017.db2.gz FATMLQXLRSHOSJ-IRXDYDNUSA-N 2 0 334.504 3.493 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCn2cccn2)cc1C[NH+]1CCCCC1 ZINC000183183282 1295104681 /nfs/dbraw/zinc/10/46/81/1295104681.db2.gz FSXUPKAKIKDUTO-QGZVFWFLSA-N 2 0 342.487 3.228 20 0 EGADRP CN1c2ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc2CCC1=O ZINC000187246692 1295377965 /nfs/dbraw/zinc/37/79/65/1295377965.db2.gz DDWHMRMRMGHGKD-SFHVURJKSA-N 2 0 331.504 3.052 20 0 EGADRP Fc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000189176080 1295504758 /nfs/dbraw/zinc/50/47/58/1295504758.db2.gz CGPZZBWNWDEEGQ-UHFFFAOYSA-N 2 0 343.446 3.028 20 0 EGADRP CC[NH+](CC)CCCN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000189929607 1295552305 /nfs/dbraw/zinc/55/23/05/1295552305.db2.gz GRNOEPSFSXBPSC-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870867414 1296121258 /nfs/dbraw/zinc/12/12/58/1296121258.db2.gz LMPVOGAPJABUPS-ABSDTBQOSA-N 2 0 343.515 3.195 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c(C)noc2C)cc1 ZINC000236884186 1296209306 /nfs/dbraw/zinc/20/93/06/1296209306.db2.gz MZIRSJJHJVGSPC-UHFFFAOYSA-N 2 0 331.460 3.302 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3c(C)noc3C)CC2)cc1 ZINC000237289079 1296233724 /nfs/dbraw/zinc/23/37/24/1296233724.db2.gz WOJILKPTRHQALZ-UHFFFAOYSA-N 2 0 343.471 3.302 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCCC[NH3+])C1 ZINC000237503711 1296247884 /nfs/dbraw/zinc/24/78/84/1296247884.db2.gz QYGHBPDOMNKDSK-KRWDZBQOSA-N 2 0 331.504 3.054 20 0 EGADRP CCCCC[C@H](C)NC(=O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248547842 1296419256 /nfs/dbraw/zinc/41/92/56/1296419256.db2.gz FHYWCUWUBLJLGP-BZSNNMDCSA-N 2 0 337.552 3.314 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592150 1296593620 /nfs/dbraw/zinc/59/36/20/1296593620.db2.gz YJBFSPFXTZWUQS-CIAFKFPVSA-N 3 0 341.543 3.409 20 0 EGADRP C[C@H](CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000262890236 1296651640 /nfs/dbraw/zinc/65/16/40/1296651640.db2.gz AFDNMNCJIHOAQR-DGCLKSJQSA-N 2 0 343.393 3.128 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872018323 1296661301 /nfs/dbraw/zinc/66/13/01/1296661301.db2.gz KNQWTOOVGXBCOK-KRWDZBQOSA-N 2 0 333.545 3.229 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000302093658 1296797963 /nfs/dbraw/zinc/79/79/63/1296797963.db2.gz GBMYPQGCNIXXFR-QGZVFWFLSA-N 2 0 339.524 3.001 20 0 EGADRP O[C@@H](C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000872222968 1296827534 /nfs/dbraw/zinc/82/75/34/1296827534.db2.gz KIVOAXNFMYWINA-NRFANRHFSA-N 2 0 339.483 3.007 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401850 1297068985 /nfs/dbraw/zinc/06/89/85/1297068985.db2.gz XIMKFXSBURFKHB-HSALFYBXSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095180 1297089012 /nfs/dbraw/zinc/08/90/12/1297089012.db2.gz UOUNZMUEQKCEKE-WIYYLYMNSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095179 1297089775 /nfs/dbraw/zinc/08/97/75/1297089775.db2.gz UOUNZMUEQKCEKE-RXVVDRJESA-N 3 0 329.532 3.219 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000320688043 1297169177 /nfs/dbraw/zinc/16/91/77/1297169177.db2.gz DGMUTEFJBQVSOH-XJKSGUPXSA-N 2 0 330.394 3.059 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000321740978 1297183010 /nfs/dbraw/zinc/18/30/10/1297183010.db2.gz PMYZKADCVQOLPX-UHFFFAOYSA-N 2 0 333.863 3.218 20 0 EGADRP C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000324898095 1297217909 /nfs/dbraw/zinc/21/79/09/1297217909.db2.gz VAXZIHKYIMWPNO-PBHICJAKSA-N 2 0 349.500 3.052 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000325435801 1297226357 /nfs/dbraw/zinc/22/63/57/1297226357.db2.gz DGOSTVIKOOVBDD-MOPGFXCFSA-N 2 0 331.504 3.052 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](O)c1ccccc1 ZINC000873193596 1297337909 /nfs/dbraw/zinc/33/79/09/1297337909.db2.gz MFAHHLFIGXBMJJ-SFTDATJTSA-N 2 0 342.483 3.229 20 0 EGADRP Brc1ccc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873211992 1297356495 /nfs/dbraw/zinc/35/64/95/1297356495.db2.gz VVNKWJMCYNMVGE-UHFFFAOYSA-N 2 0 337.286 3.446 20 0 EGADRP COC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(Br)c1 ZINC000873224126 1297365668 /nfs/dbraw/zinc/36/56/68/1297365668.db2.gz XGGFMMRPXXIHQC-IOASZLSFSA-N 2 0 341.293 3.114 20 0 EGADRP CC1([NH+]2CCCCC2)CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873227102 1297365819 /nfs/dbraw/zinc/36/58/19/1297365819.db2.gz GVYAWPFVELEOFW-UHFFFAOYSA-N 3 0 333.545 3.234 20 0 EGADRP CCn1nc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)c2ccccc21 ZINC000873232838 1297374367 /nfs/dbraw/zinc/37/43/67/1297374367.db2.gz OGJOGZBDMYJMMT-IBGZPJMESA-N 2 0 326.488 3.458 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(OC(F)F)c1 ZINC000873288755 1297410796 /nfs/dbraw/zinc/41/07/96/1297410796.db2.gz BNKQWQRPSGGOCR-BBRMVZONSA-N 2 0 340.414 3.097 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873291963 1297414659 /nfs/dbraw/zinc/41/46/59/1297414659.db2.gz JHQIVYHCLYZYEP-AABGKKOBSA-N 2 0 328.500 3.245 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000355859080 1297460641 /nfs/dbraw/zinc/46/06/41/1297460641.db2.gz VYOWXUYYXDUNFM-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H](CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000379664709 1297537768 /nfs/dbraw/zinc/53/77/68/1297537768.db2.gz QAJYWRGNYMQOBB-PXNSSMCTSA-N 2 0 345.531 3.311 20 0 EGADRP CCCN1CC[C@@H]([NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511484 1297731260 /nfs/dbraw/zinc/73/12/60/1297731260.db2.gz LTSHBNNPMBICRD-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400468536 1297731741 /nfs/dbraw/zinc/73/17/41/1297731741.db2.gz WXPFIVPYFRGUIM-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000695784652 1298161005 /nfs/dbraw/zinc/16/10/05/1298161005.db2.gz IMEXRYRPMFGBIT-HNNXBMFYSA-N 2 0 335.492 3.141 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000708522882 1298239178 /nfs/dbraw/zinc/23/91/78/1298239178.db2.gz YFRBMEASWZHOLG-PKOBYXMFSA-N 2 0 344.499 3.030 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000708524463 1298240788 /nfs/dbraw/zinc/24/07/88/1298240788.db2.gz SLACIYOIXNTTOI-OJAHFUOMSA-N 2 0 328.500 3.302 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000709341868 1298248606 /nfs/dbraw/zinc/24/86/06/1298248606.db2.gz GQYHBKFYMHBOFX-XVBAFREPSA-N 2 0 327.516 3.158 20 0 EGADRP OCc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000714966778 1298275163 /nfs/dbraw/zinc/27/51/63/1298275163.db2.gz LYTLDSWVPHBBAQ-RXVVDRJESA-N 2 0 337.467 3.065 20 0 EGADRP C[C@@H]1[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000715290719 1298280494 /nfs/dbraw/zinc/28/04/94/1298280494.db2.gz GZZHRJQCUYICOM-RDHHWEPZSA-N 2 0 339.524 3.237 20 0 EGADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000717501628 1298303094 /nfs/dbraw/zinc/30/30/94/1298303094.db2.gz FTSIYBOWPZCWSB-YLJYHZDGSA-N 2 0 345.531 3.121 20 0 EGADRP CC1(C)CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000748837445 1299091481 /nfs/dbraw/zinc/09/14/81/1299091481.db2.gz JTTVCHZPHBFIDR-OAHLLOKOSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000877201973 1299204787 /nfs/dbraw/zinc/20/47/87/1299204787.db2.gz UWWPLKXNUPSXBZ-XLIONFOSSA-N 2 0 345.531 3.024 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000877447411 1299307073 /nfs/dbraw/zinc/30/70/73/1299307073.db2.gz YODYZNCFGQKHEX-FTRWYGJKSA-N 2 0 343.515 3.466 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000877684347 1299478301 /nfs/dbraw/zinc/47/83/01/1299478301.db2.gz NAABQTWDVDDZQN-UHFFFAOYSA-N 2 0 332.879 3.296 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)o1 ZINC000877697016 1299488776 /nfs/dbraw/zinc/48/87/76/1299488776.db2.gz FNBSPMJCVZMTPL-SREVYHEPSA-N 2 0 334.460 3.066 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000878172660 1299796804 /nfs/dbraw/zinc/79/68/04/1299796804.db2.gz KOJSGYARXNLLJS-QGZVFWFLSA-N 2 0 326.444 3.315 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000756114077 1300440932 /nfs/dbraw/zinc/44/09/32/1300440932.db2.gz MFRBAXCVWOXPCV-UHFFFAOYSA-N 2 0 349.544 3.337 20 0 EGADRP Cc1cccc(C(=O)NC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000879350145 1300496476 /nfs/dbraw/zinc/49/64/76/1300496476.db2.gz WDVZHLNIEVBPDN-HXUWFJFHSA-N 2 0 343.515 3.064 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1)NC(=O)OC(C)(C)C ZINC000760895981 1301360567 /nfs/dbraw/zinc/36/05/67/1301360567.db2.gz BXWOUNJTWNYESZ-HZPDHXFCSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CCCO1 ZINC000762481469 1301688447 /nfs/dbraw/zinc/68/84/47/1301688447.db2.gz FMFWDIRCKKOORU-KRWDZBQOSA-N 2 0 346.515 3.381 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000765357486 1302252417 /nfs/dbraw/zinc/25/24/17/1302252417.db2.gz DIHJMLDMVZSLIG-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883435405 1302443346 /nfs/dbraw/zinc/44/33/46/1302443346.db2.gz SDOJJGAHFSICHE-IFLJBQAJSA-N 2 0 344.499 3.268 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000884218335 1302774587 /nfs/dbraw/zinc/77/45/87/1302774587.db2.gz LRGDSWCDBURQEU-SXLOBPIMSA-N 2 0 345.531 3.132 20 0 EGADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000769871267 1303185129 /nfs/dbraw/zinc/18/51/29/1303185129.db2.gz FXBORVRRWYDKDO-OAHLLOKOSA-N 2 0 345.487 3.379 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C/C=C\c1cccc(F)c1 ZINC000886119118 1303362176 /nfs/dbraw/zinc/36/21/76/1303362176.db2.gz YIFWATVQVVDHLT-DAXSKMNVSA-N 2 0 343.446 3.354 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(NC(N)=O)cc2)CC1 ZINC000886500074 1303478026 /nfs/dbraw/zinc/47/80/26/1303478026.db2.gz DZVMUSJCWKSIJH-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP CCNC(=O)c1cccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886514264 1303482836 /nfs/dbraw/zinc/48/28/36/1303482836.db2.gz LPMCZWMRXXIQRF-UHFFFAOYSA-N 2 0 343.515 3.323 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000886518687 1303484837 /nfs/dbraw/zinc/48/48/37/1303484837.db2.gz CMCVNQDZOJRMLY-PCKAHOCUSA-N 2 0 333.442 3.010 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3c4cccc(Cl)c4[nH]c32)CC1 ZINC000886530982 1303489103 /nfs/dbraw/zinc/48/91/03/1303489103.db2.gz UTDOCNHPKQUFAJ-INIZCTEOSA-N 2 0 347.890 3.245 20 0 EGADRP COc1ccccc1[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886547032 1303494487 /nfs/dbraw/zinc/49/44/87/1303494487.db2.gz DETYXWSUBNPTFF-IPCDKGFNSA-N 2 0 332.488 3.115 20 0 EGADRP CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCc2ccccc2C1 ZINC000774108032 1303774662 /nfs/dbraw/zinc/77/46/62/1303774662.db2.gz DTPJQKSWPMYOPZ-VKEMMKHGSA-N 2 0 327.516 3.038 20 0 EGADRP CC(C)(C)OC(=O)NCCC[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000775029482 1303891703 /nfs/dbraw/zinc/89/17/03/1303891703.db2.gz NQIWFILUNALSJD-UHFFFAOYSA-N 2 0 339.524 3.288 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)cc1C[NH+]1CCCCC1 ZINC000775380492 1303951215 /nfs/dbraw/zinc/95/12/15/1303951215.db2.gz OUFYZCKFPMXUQW-QFBILLFUSA-N 2 0 331.504 3.036 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2)cc1C[NH+]1CCCCC1 ZINC000775380490 1303951404 /nfs/dbraw/zinc/95/14/04/1303951404.db2.gz OUFYZCKFPMXUQW-LPHOPBHVSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2[nH]1)N1CC[NH+](C)CC1 ZINC000775623259 1303997385 /nfs/dbraw/zinc/99/73/85/1303997385.db2.gz OQARAWRKGDYSTG-OXJNMPFZSA-N 2 0 328.504 3.091 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000779072839 1304526369 /nfs/dbraw/zinc/52/63/69/1304526369.db2.gz MLYLGMIVJLFDOV-KRWDZBQOSA-N 2 0 341.540 3.484 20 0 EGADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1(C(=O)OC)CCC1 ZINC000779400182 1304566392 /nfs/dbraw/zinc/56/63/92/1304566392.db2.gz QHBNRZHMTZCINS-DAWZGUTISA-N 2 0 336.520 3.495 20 0 EGADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781421346 1304825114 /nfs/dbraw/zinc/82/51/14/1304825114.db2.gz PVXOLJAHFUVQCT-PLACYPQZSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@@H]1CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000783242764 1305070239 /nfs/dbraw/zinc/07/02/39/1305070239.db2.gz HWGBILPWMIFDQQ-CZUORRHYSA-N 2 0 341.421 3.345 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000891775278 1305162021 /nfs/dbraw/zinc/16/20/21/1305162021.db2.gz LFBYALYILSNFRE-UHFFFAOYSA-N 2 0 335.439 3.412 20 0 EGADRP Cn1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C1CC1 ZINC000892145466 1305267878 /nfs/dbraw/zinc/26/78/78/1305267878.db2.gz RZSFKWPDRFENHB-UHFFFAOYSA-N 2 0 330.520 3.386 20 0 EGADRP COc1ccc([C@@H](C[NH2+]CC2CC[NH+](C)CC2)N2CCCCC2)cc1 ZINC000892439791 1305374186 /nfs/dbraw/zinc/37/41/86/1305374186.db2.gz ZPPFHASOZRMRFB-OAQYLSRUSA-N 2 0 345.531 3.154 20 0 EGADRP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000892609874 1305468442 /nfs/dbraw/zinc/46/84/42/1305468442.db2.gz CPJXTWLGVGRNHG-UHFFFAOYSA-N 2 0 344.503 3.311 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786781039 1305628277 /nfs/dbraw/zinc/62/82/77/1305628277.db2.gz PVCODYMTNJEINW-SJORKVTESA-N 2 0 346.519 3.377 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCNC2=O)cc1 ZINC000786829638 1305636236 /nfs/dbraw/zinc/63/62/36/1305636236.db2.gz LZZMNNQIIZOFMQ-MAUKXSAKSA-N 2 0 346.519 3.233 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(O)cc(Cl)c2)C[C@H](C)O1 ZINC000893037774 1305674920 /nfs/dbraw/zinc/67/49/20/1305674920.db2.gz JHMUUFHPGQHJFR-KBPBESRZSA-N 2 0 326.868 3.025 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cc[nH]c(=O)c1 ZINC000788584427 1305975408 /nfs/dbraw/zinc/97/54/08/1305975408.db2.gz PCDWHJAQHJFNSR-CQSZACIVSA-N 2 0 331.485 3.412 20 0 EGADRP O=c1oc2ccc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc2o1 ZINC000894073410 1306202476 /nfs/dbraw/zinc/20/24/76/1306202476.db2.gz XZNCDDIJWQBPET-UHFFFAOYSA-N 2 0 344.455 3.474 20 0 EGADRP CC(C)(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000791010186 1308909471 /nfs/dbraw/zinc/90/94/71/1308909471.db2.gz FORGNMPETXHBRN-UHFFFAOYSA-N 2 0 327.513 3.001 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCC2(O)CCC2)ccc1OC ZINC000793564226 1309405739 /nfs/dbraw/zinc/40/57/39/1309405739.db2.gz KXVHPFTTWDJZSU-MRXNPFEDSA-N 2 0 334.504 3.493 20 0 EGADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)OCCc2ccccc21 ZINC000895640331 1309442675 /nfs/dbraw/zinc/44/26/75/1309442675.db2.gz SKDMQEQEGWHQFR-OAQYLSRUSA-N 2 0 337.467 3.128 20 0 EGADRP CCCCCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796385130 1309988569 /nfs/dbraw/zinc/98/85/69/1309988569.db2.gz RYCAWEKNJTVUNF-NRFANRHFSA-N 2 0 329.532 3.459 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000796723522 1310072642 /nfs/dbraw/zinc/07/26/42/1310072642.db2.gz FGYMLNSXCRIFCR-OCDPCBSRSA-N 2 0 338.499 3.440 20 0 EGADRP C[C@@]1(C[NH2+]Cc2cccc3nccn32)CC[N@H+](Cc2ccccc2)C1 ZINC000798497773 1310373657 /nfs/dbraw/zinc/37/36/57/1310373657.db2.gz ADDDRTIUPUNTDX-NRFANRHFSA-N 2 0 334.467 3.336 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3O)CC2)C1 ZINC000898391901 1310708102 /nfs/dbraw/zinc/70/81/02/1310708102.db2.gz MJAKRIXJJGFNPG-ZQYQINFJSA-N 2 0 328.500 3.277 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCC23CCOCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000800490744 1310767974 /nfs/dbraw/zinc/76/79/74/1310767974.db2.gz JPCUWFYQGRZKEJ-WOJBJXKFSA-N 2 0 328.500 3.447 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]CC[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000839180998 1320887534 /nfs/dbraw/zinc/88/75/34/1320887534.db2.gz FZQYFGZNBDVRAB-GOSISDBHSA-N 2 0 344.547 3.043 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCCC3(C)C)c2)C1 ZINC000857282396 1328525976 /nfs/dbraw/zinc/52/59/76/1328525976.db2.gz BZMMTDDBKNQCAN-IBGZPJMESA-N 2 0 343.515 3.100 20 0 EGADRP C[N@H+](CCCCNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)C1CC1 ZINC000857283746 1328526423 /nfs/dbraw/zinc/52/64/23/1328526423.db2.gz WUGQEVJUYKYJHN-LJQANCHMSA-N 2 0 343.515 3.100 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018938395 1316981113 /nfs/dbraw/zinc/98/11/13/1316981113.db2.gz MSDKWHLQTWNNLZ-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001019094679 1317041354 /nfs/dbraw/zinc/04/13/54/1317041354.db2.gz HJSVDHCEXOFBND-AEFFLSMTSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019095025 1317041459 /nfs/dbraw/zinc/04/14/59/1317041459.db2.gz YPVNJLGQCPBEHU-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019151424 1317072820 /nfs/dbraw/zinc/07/28/20/1317072820.db2.gz ZDHUKDFSOZXWNY-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001019230974 1317115010 /nfs/dbraw/zinc/11/50/10/1317115010.db2.gz DPQMWWIHNZDODN-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000957286719 1317261359 /nfs/dbraw/zinc/26/13/59/1317261359.db2.gz BGYVTGNGEGTVCJ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000900480619 1317294141 /nfs/dbraw/zinc/29/41/41/1317294141.db2.gz RCFVZKQKOXYOCF-SFHVURJKSA-N 2 0 344.503 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019632199 1317311554 /nfs/dbraw/zinc/31/15/54/1317311554.db2.gz DTMCYVIVYVBAFO-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)c1 ZINC000900650584 1317318753 /nfs/dbraw/zinc/31/87/53/1317318753.db2.gz CRFBKBWZDRKBTB-PMACEKPBSA-N 2 0 343.515 3.160 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019820496 1317439873 /nfs/dbraw/zinc/43/98/73/1317439873.db2.gz MJVOYWHFHUHBHP-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806136347 1317464115 /nfs/dbraw/zinc/46/41/15/1317464115.db2.gz WYSLUCLQAVFDNQ-MRXNPFEDSA-N 2 0 345.874 3.453 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2)[NH+](C)C ZINC000957598852 1317488046 /nfs/dbraw/zinc/48/80/46/1317488046.db2.gz OWIDIUWHQSVUKZ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)CC1 ZINC000957647634 1317519317 /nfs/dbraw/zinc/51/93/17/1317519317.db2.gz PRWCUIQJANNDAY-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000902335902 1317565406 /nfs/dbraw/zinc/56/54/06/1317565406.db2.gz KWEHRFUNBRROSB-QGZVFWFLSA-N 3 0 335.561 3.328 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000902376956 1317570365 /nfs/dbraw/zinc/57/03/65/1317570365.db2.gz OWVOLLFDUQCJCE-INIZCTEOSA-N 2 0 347.894 3.097 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020238915 1317603803 /nfs/dbraw/zinc/60/38/03/1317603803.db2.gz HUYMCWOVQIDKNX-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000957774597 1317638017 /nfs/dbraw/zinc/63/80/17/1317638017.db2.gz VDVMXGZZYMTYHF-UXHICEINSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000903015551 1317640914 /nfs/dbraw/zinc/64/09/14/1317640914.db2.gz FZUQDTRAGGAXON-RDJZCZTQSA-N 2 0 339.524 3.238 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957777902 1317642275 /nfs/dbraw/zinc/64/22/75/1317642275.db2.gz BVYYPQHETUIQHF-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903057651 1317643959 /nfs/dbraw/zinc/64/39/59/1317643959.db2.gz KAXKFEAKXCWUJI-XAJVHEMHSA-N 2 0 325.500 3.008 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903061830 1317645729 /nfs/dbraw/zinc/64/57/29/1317645729.db2.gz KTYQWVGWOKOFMH-OAHLLOKOSA-N 2 0 347.503 3.284 20 0 EGADRP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000903110842 1317654247 /nfs/dbraw/zinc/65/42/47/1317654247.db2.gz RNVROIBCIVZCDZ-SLOSICTCSA-N 2 0 339.527 3.397 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001020349173 1317654288 /nfs/dbraw/zinc/65/42/88/1317654288.db2.gz ZUEOHUDONTXIEM-WGSAOQKQSA-N 2 0 347.547 3.212 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001020354645 1317657421 /nfs/dbraw/zinc/65/74/21/1317657421.db2.gz ACAJNSVIEAMRTC-WGSAOQKQSA-N 2 0 348.450 3.002 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cc(N(C)C)cc[nH+]2)CC1 ZINC000903201219 1317672287 /nfs/dbraw/zinc/67/22/87/1317672287.db2.gz GJIRJHKTOZTLOZ-JXFKEZNVSA-N 2 0 330.520 3.280 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001020396025 1317678126 /nfs/dbraw/zinc/67/81/26/1317678126.db2.gz BETCBTAATHMOIN-ATZDWAIDSA-N 2 0 348.450 3.254 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001020396393 1317678408 /nfs/dbraw/zinc/67/84/08/1317678408.db2.gz RITVOUJKMHFOLD-XQZJPKQNSA-N 2 0 340.471 3.011 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001020396376 1317678524 /nfs/dbraw/zinc/67/85/24/1317678524.db2.gz QOZSIQHWWRSYMW-IYARVYRRSA-N 2 0 348.450 3.002 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001020396246 1317678702 /nfs/dbraw/zinc/67/87/02/1317678702.db2.gz LOXFKYOEGZZJPS-SZMVWBNQSA-N 2 0 348.450 3.254 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000903259075 1317681046 /nfs/dbraw/zinc/68/10/46/1317681046.db2.gz KZPOHEISFDZESY-QRFRQXIXSA-N 2 0 334.504 3.219 20 0 EGADRP CN(C)c1ncc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000929833650 1328714974 /nfs/dbraw/zinc/71/49/74/1328714974.db2.gz FQCZQGBIVHGQAR-UHFFFAOYSA-N 2 0 347.466 3.018 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@@H](O)C2CC2)cc1C[NH+]1CCCCC1 ZINC000903409130 1317697912 /nfs/dbraw/zinc/69/79/12/1317697912.db2.gz VRQBWJBHTSNQMF-OXJNMPFZSA-N 2 0 346.515 3.493 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508543 1317706117 /nfs/dbraw/zinc/70/61/17/1317706117.db2.gz KVYBEAFCLBTEJP-ZCNNSNEGSA-N 2 0 331.479 3.177 20 0 EGADRP c1ccc2sc([C@@H]3CCC[N@H+]3C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)nc2c1 ZINC000903734490 1317726849 /nfs/dbraw/zinc/72/68/49/1317726849.db2.gz ZFSVGJBKGZHCTD-URLQWDBASA-N 2 0 343.496 3.202 20 0 EGADRP C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756799 1317731156 /nfs/dbraw/zinc/73/11/56/1317731156.db2.gz WBVRWUJKRQIDPP-AWEZNQCLSA-N 2 0 326.843 3.070 20 0 EGADRP CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903770716 1317732070 /nfs/dbraw/zinc/73/20/70/1317732070.db2.gz YTHMPNVVPWFITO-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP Cn1c2ccccc2nc1CC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792762 1317735618 /nfs/dbraw/zinc/73/56/18/1317735618.db2.gz ITEOEZYNFWIOQO-UHFFFAOYSA-N 2 0 348.494 3.108 20 0 EGADRP [NH3+]CC1([C@@H]2CCCCN2C[C@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810370 1317736425 /nfs/dbraw/zinc/73/64/25/1317736425.db2.gz BSLBECTWELWCEB-IRXDYDNUSA-N 2 0 340.870 3.496 20 0 EGADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000903887327 1317741568 /nfs/dbraw/zinc/74/15/68/1317741568.db2.gz YRFWGABBATWLIG-IBGZPJMESA-N 2 0 339.487 3.005 20 0 EGADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899097 1317744586 /nfs/dbraw/zinc/74/45/86/1317744586.db2.gz RKWHVORILIZNBZ-TZIWHRDSSA-N 2 0 342.531 3.107 20 0 EGADRP O=C(Nc1cccc(F)c1)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904393 1317746195 /nfs/dbraw/zinc/74/61/95/1317746195.db2.gz UEIWRGCIRADIQF-WUUXGELPSA-N 2 0 345.462 3.007 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2noc([C@@H]3CCCCC[C@@H]3[NH3+])n2)cc1 ZINC000904088139 1317786599 /nfs/dbraw/zinc/78/65/99/1317786599.db2.gz NMBYIQBQEKUXEM-SJORKVTESA-N 2 0 344.459 3.052 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000904374756 1317838873 /nfs/dbraw/zinc/83/88/73/1317838873.db2.gz WGMLKVQFINKXAM-VBQJREDUSA-N 2 0 342.405 3.482 20 0 EGADRP C[C@H]1C[C@@H](C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)CC[NH2+]1 ZINC000904388986 1317841127 /nfs/dbraw/zinc/84/11/27/1317841127.db2.gz FXJGYCBUUPMEHF-HOCLYGCPSA-N 2 0 333.545 3.274 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000809605336 1317842067 /nfs/dbraw/zinc/84/20/67/1317842067.db2.gz BETBHQFEJCWSKZ-GTPINHCMSA-N 2 0 339.524 3.286 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000904405345 1317844128 /nfs/dbraw/zinc/84/41/28/1317844128.db2.gz LAMXPRFHERDJCG-SFHVURJKSA-N 2 0 339.483 3.448 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020675806 1317851963 /nfs/dbraw/zinc/85/19/63/1317851963.db2.gz GKTGHPHPDFVWIM-FRYIKTPZSA-N 2 0 343.515 3.247 20 0 EGADRP COc1ccsc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474958 1317852064 /nfs/dbraw/zinc/85/20/64/1317852064.db2.gz MZIDPEDFJQXTPV-KSSFIOAISA-N 2 0 330.453 3.102 20 0 EGADRP C[C@@H](CNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C[NH+]1CCCCC1 ZINC000904574974 1317863879 /nfs/dbraw/zinc/86/38/79/1317863879.db2.gz LZGVSOMXYVZEOU-HNNXBMFYSA-N 2 0 332.492 3.124 20 0 EGADRP CC1([NH+]2CCCC2)CCC(NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904622039 1317871241 /nfs/dbraw/zinc/87/12/41/1317871241.db2.gz DEQJLRNZPMKXAL-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000904635432 1317872918 /nfs/dbraw/zinc/87/29/18/1317872918.db2.gz ABDWFLDVRSLLAU-QGZVFWFLSA-N 2 0 330.476 3.064 20 0 EGADRP C[NH+](C)C[C@@H](NC(=O)Nc1ccccc1C[NH3+])c1ccc(Cl)cc1 ZINC000904639661 1317874160 /nfs/dbraw/zinc/87/41/60/1317874160.db2.gz VJMLFLBVSXAAQO-QGZVFWFLSA-N 2 0 346.862 3.223 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809757685 1317893225 /nfs/dbraw/zinc/89/32/25/1317893225.db2.gz VJJGFAMGCWQXMB-UHFFFAOYSA-N 2 0 341.540 3.297 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)CC2(O)CCCCC2)c1 ZINC000905052209 1317917181 /nfs/dbraw/zinc/91/71/81/1317917181.db2.gz NOYZMAUUZLEUMM-HXUWFJFHSA-N 2 0 348.531 3.064 20 0 EGADRP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001021400499 1318233181 /nfs/dbraw/zinc/23/31/81/1318233181.db2.gz XEAKZEDRRGAMKK-VOBGVNJCSA-N 2 0 347.547 3.163 20 0 EGADRP OCc1cc(N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc[nH+]1 ZINC000858403636 1328754361 /nfs/dbraw/zinc/75/43/61/1328754361.db2.gz IGSAHGNQYAKBBW-MRXNPFEDSA-N 2 0 349.837 3.443 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC000960132160 1318372996 /nfs/dbraw/zinc/37/29/96/1318372996.db2.gz SGMJIWWUUVPGHP-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681909 1318553424 /nfs/dbraw/zinc/55/34/24/1318553424.db2.gz KCGZABKCPULUAT-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000813828518 1318637843 /nfs/dbraw/zinc/63/78/43/1318637843.db2.gz UQVQMUOESZUYPQ-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858491924 1328778422 /nfs/dbraw/zinc/77/84/22/1328778422.db2.gz QNGOWWHSKRJWFC-IAGOWNOFSA-N 2 0 345.487 3.416 20 0 EGADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813880243 1318650194 /nfs/dbraw/zinc/65/01/94/1318650194.db2.gz DHGGJKGUVXHFBN-OLPBJYBYSA-N 2 0 328.500 3.321 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)o1 ZINC000912811133 1318938808 /nfs/dbraw/zinc/93/88/08/1318938808.db2.gz FDUUMNLQXZYLRE-FUHWJXTLSA-N 2 0 349.519 3.314 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001022536388 1318980809 /nfs/dbraw/zinc/98/08/09/1318980809.db2.gz UTFFZHBZJNEDQF-QRQLOZEOSA-N 2 0 343.515 3.167 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000815635405 1319033646 /nfs/dbraw/zinc/03/36/46/1319033646.db2.gz BUUUNWBJNKOMLN-HZPDHXFCSA-N 2 0 345.487 3.414 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000815647772 1319035385 /nfs/dbraw/zinc/03/53/85/1319035385.db2.gz UMHSNGLPZLAVCU-QGZVFWFLSA-N 2 0 339.524 3.242 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001022809451 1319119788 /nfs/dbraw/zinc/11/97/88/1319119788.db2.gz MHWZEYGWWFBXFU-LFGUQSLTSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@H+](CCc1ccccc1F)Cc1cccc(CN2CCOCC2)c1 ZINC000817275170 1319308915 /nfs/dbraw/zinc/30/89/15/1319308915.db2.gz WXQHITDNJKMYMY-UHFFFAOYSA-N 2 0 342.458 3.332 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000817865689 1319448795 /nfs/dbraw/zinc/44/87/95/1319448795.db2.gz XEFGOVKGSVYMPV-ZOBUZTSGSA-N 2 0 348.487 3.206 20 0 EGADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817896222 1319452913 /nfs/dbraw/zinc/45/29/13/1319452913.db2.gz ZPJQLTTYIRCBPR-DLVCFXQMSA-N 2 0 338.451 3.085 20 0 EGADRP COc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(C)C ZINC000817901221 1319454800 /nfs/dbraw/zinc/45/48/00/1319454800.db2.gz UHEURFHRDQMSKQ-CQSZACIVSA-N 2 0 343.471 3.495 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817918341 1319459931 /nfs/dbraw/zinc/45/99/31/1319459931.db2.gz ZBUKLVOEBMOEEI-BMLIUANNSA-N 2 0 337.826 3.025 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000817917857 1319460276 /nfs/dbraw/zinc/46/02/76/1319460276.db2.gz UHGBGMTZFYRLFX-OKDNKWQNSA-N 2 0 340.870 3.413 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2CC[NH2+]CC2)ccc1OC ZINC000817941797 1319470257 /nfs/dbraw/zinc/47/02/57/1319470257.db2.gz RTERZFJZBSLZLB-INIZCTEOSA-N 3 0 333.520 3.187 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(OC)c(OC)c1 ZINC000817946964 1319471846 /nfs/dbraw/zinc/47/18/46/1319471846.db2.gz IUTPQZKAIOISMQ-GOSISDBHSA-N 2 0 328.456 3.446 20 0 EGADRP COc1ccc([C@H](C)NCC[NH2+]C2CC2)cc1C[NH+]1CCCCC1 ZINC000817954124 1319475517 /nfs/dbraw/zinc/47/55/17/1319475517.db2.gz VDRSSGJITUSFQA-INIZCTEOSA-N 2 0 331.504 3.084 20 0 EGADRP COc1ccc([C@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817976788 1319484174 /nfs/dbraw/zinc/48/41/74/1319484174.db2.gz UAEYKSOEHMPMOC-SNRMKQJTSA-N 2 0 349.494 3.032 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000817984334 1319485160 /nfs/dbraw/zinc/48/51/60/1319485160.db2.gz QOXDDGIVMMOQDC-KRWDZBQOSA-N 2 0 349.588 3.490 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001023382065 1319490070 /nfs/dbraw/zinc/49/00/70/1319490070.db2.gz XUNGVFLXYZQYEO-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023402914 1319508748 /nfs/dbraw/zinc/50/87/48/1319508748.db2.gz WPERMNGGTWZRPN-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961364332 1319520595 /nfs/dbraw/zinc/52/05/95/1319520595.db2.gz CHVVIPHSGKKQRK-WOJBJXKFSA-N 2 0 349.563 3.218 20 0 EGADRP [NH3+]Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000818501552 1319547677 /nfs/dbraw/zinc/54/76/77/1319547677.db2.gz YQUVGCJBYOOSGV-UHFFFAOYSA-N 2 0 329.488 3.064 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431758 1319584665 /nfs/dbraw/zinc/58/46/65/1319584665.db2.gz MPZYABONSXHPIA-QUCCMNQESA-N 2 0 349.563 3.079 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000818954481 1319587518 /nfs/dbraw/zinc/58/75/18/1319587518.db2.gz WHSWJOQDSCZNBK-HXUWFJFHSA-N 2 0 346.421 3.384 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818960403 1319590570 /nfs/dbraw/zinc/59/05/70/1319590570.db2.gz YXZKHNBBQDAJLK-WMLDXEAASA-N 2 0 326.431 3.100 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818980918 1319602182 /nfs/dbraw/zinc/60/21/82/1319602182.db2.gz PEKLZAFGVVMEOS-MLGOLLRUSA-N 2 0 331.287 3.348 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818984420 1319604748 /nfs/dbraw/zinc/60/47/48/1319604748.db2.gz HBIJUPCSUNIUQI-RHSMWYFYSA-N 2 0 344.421 3.449 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819133599 1319644168 /nfs/dbraw/zinc/64/41/68/1319644168.db2.gz TVINUMCHOPZUQK-IOASZLSFSA-N 2 0 331.287 3.489 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000819152634 1319648777 /nfs/dbraw/zinc/64/87/77/1319648777.db2.gz YCXPSOOYJAEATP-UWJYYQICSA-N 2 0 326.484 3.441 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCC3)C2)C1 ZINC001023548131 1319657795 /nfs/dbraw/zinc/65/77/95/1319657795.db2.gz BNMCBZNXSLBWLU-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000819182153 1319658527 /nfs/dbraw/zinc/65/85/27/1319658527.db2.gz JIMCTHOHQCCGGW-KSSFIOAISA-N 2 0 342.886 3.470 20 0 EGADRP C[C@H](CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)[NH+]1CCCCC1 ZINC000819231208 1319674802 /nfs/dbraw/zinc/67/48/02/1319674802.db2.gz REGATKKZZJYSJF-DYVFJYSZSA-N 2 0 328.859 3.367 20 0 EGADRP CC(C)(C[NH2+]C[C@H](O)c1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000819260906 1319683506 /nfs/dbraw/zinc/68/35/06/1319683506.db2.gz WZQBXDUKMCXVDF-INIZCTEOSA-N 2 0 328.859 3.224 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023696409 1319820474 /nfs/dbraw/zinc/82/04/74/1319820474.db2.gz MLEICTQWJAZIPA-VQTJNVASSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023761841 1319908069 /nfs/dbraw/zinc/90/80/69/1319908069.db2.gz KMABBJYAVPHCPT-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP COc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000820806355 1319955602 /nfs/dbraw/zinc/95/56/02/1319955602.db2.gz GBQSPTVGGIPQHW-FOIQADDNSA-N 2 0 328.456 3.141 20 0 EGADRP C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820812925 1319959438 /nfs/dbraw/zinc/95/94/38/1319959438.db2.gz VNGVXIQYFDESDQ-AWEZNQCLSA-N 2 0 333.476 3.018 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000821982883 1320045129 /nfs/dbraw/zinc/04/51/29/1320045129.db2.gz NLUGOZDHSQYELE-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822870661 1320131096 /nfs/dbraw/zinc/13/10/96/1320131096.db2.gz VJPQBTIROUDARS-ZNMIVQPWSA-N 2 0 337.335 3.297 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000825042802 1320306070 /nfs/dbraw/zinc/30/60/70/1320306070.db2.gz FEJAATXBYYCZER-ARVPZQKOSA-N 2 0 331.479 3.148 20 0 EGADRP Oc1ccc(F)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1F ZINC000827012450 1320420645 /nfs/dbraw/zinc/42/06/45/1320420645.db2.gz XAHLHMAFPOWGGF-UHFFFAOYSA-N 2 0 347.409 3.067 20 0 EGADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000838909538 1320833528 /nfs/dbraw/zinc/83/35/28/1320833528.db2.gz XKQGWDOUOKPNNJ-GOSISDBHSA-N 2 0 331.847 3.027 20 0 EGADRP CCCCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C(C)(C)C ZINC000839544135 1320936058 /nfs/dbraw/zinc/93/60/58/1320936058.db2.gz HTXJXVQTGRIWNR-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000839999062 1321011305 /nfs/dbraw/zinc/01/13/05/1321011305.db2.gz JXWGRQJECDNQMX-UHFFFAOYSA-N 2 0 345.466 3.096 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000840002395 1321011791 /nfs/dbraw/zinc/01/17/91/1321011791.db2.gz HJTBLQCMQWMTPU-UHFFFAOYSA-N 2 0 345.466 3.094 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000840036944 1321017436 /nfs/dbraw/zinc/01/74/36/1321017436.db2.gz JAZALHJSZMFCOS-UHFFFAOYSA-N 2 0 345.466 3.096 20 0 EGADRP Fc1ccccc1COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000841033424 1321204550 /nfs/dbraw/zinc/20/45/50/1321204550.db2.gz UKMOQGYNPIDHDO-QGZVFWFLSA-N 2 0 328.431 3.494 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000841031985 1321204597 /nfs/dbraw/zinc/20/45/97/1321204597.db2.gz FMXOZKZOJQZZIJ-NRFANRHFSA-N 2 0 340.467 3.035 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841072660 1321213724 /nfs/dbraw/zinc/21/37/24/1321213724.db2.gz MDOJAPXBAXIJGN-OAHLLOKOSA-N 2 0 332.879 3.456 20 0 EGADRP CN1c2ccc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cc2CCC1=O ZINC000841087509 1321216991 /nfs/dbraw/zinc/21/69/91/1321216991.db2.gz QMXZNWSYNDVUHP-LJQANCHMSA-N 2 0 337.467 3.165 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)oc21 ZINC000841099388 1321218378 /nfs/dbraw/zinc/21/83/78/1321218378.db2.gz JUXYHMDDPOIRFX-HKUYNNGSSA-N 2 0 344.455 3.160 20 0 EGADRP Cc1cc2oc(=O)cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c2cc1C ZINC000842472352 1321392399 /nfs/dbraw/zinc/39/23/99/1321392399.db2.gz DTCWIHLMVYBBEI-LJQANCHMSA-N 2 0 340.467 3.374 20 0 EGADRP O[C@H](C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1ccsc1 ZINC000842473117 1321393513 /nfs/dbraw/zinc/39/35/13/1321393513.db2.gz POEDLDJCQPUKIV-QFBILLFUSA-N 2 0 330.497 3.283 20 0 EGADRP CC(C)n1ncc2cc(C[N@H+](C)C3CCC([NH3+])CC3)c(Cl)nc21 ZINC000843055999 1321463304 /nfs/dbraw/zinc/46/33/04/1321463304.db2.gz VOLBHFSLHDEGTN-UHFFFAOYSA-N 2 0 335.883 3.367 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843112651 1321472841 /nfs/dbraw/zinc/47/28/41/1321472841.db2.gz KUDVLGJELBMJPJ-HNNXBMFYSA-N 2 0 332.879 3.395 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CCCCCC[NH3+] ZINC000843126245 1321473946 /nfs/dbraw/zinc/47/39/46/1321473946.db2.gz FMUQVKPOFOCERA-UHFFFAOYSA-N 2 0 328.382 3.201 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCCCC[NH3+] ZINC000843126064 1321474070 /nfs/dbraw/zinc/47/40/70/1321474070.db2.gz AFGMJPSRCGRTIO-UHFFFAOYSA-N 2 0 336.430 3.376 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000843343922 1321503071 /nfs/dbraw/zinc/50/30/71/1321503071.db2.gz LNHMVNGAFUADHF-OAHLLOKOSA-N 2 0 339.439 3.343 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843348280 1321503251 /nfs/dbraw/zinc/50/32/51/1321503251.db2.gz BBDQBCAWVDKNBQ-LSDHHAIUSA-N 2 0 325.456 3.226 20 0 EGADRP C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CCC([NH3+])CC1 ZINC000843355412 1321504813 /nfs/dbraw/zinc/50/48/13/1321504813.db2.gz NPXRNXQNINFFTR-GRERDSQWSA-N 2 0 343.515 3.236 20 0 EGADRP C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CCC([NH3+])CC1 ZINC000843353673 1321505519 /nfs/dbraw/zinc/50/55/19/1321505519.db2.gz IOODBHXQCNWBMF-UHFFFAOYSA-N 2 0 337.467 3.494 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)c1 ZINC000848620229 1321981824 /nfs/dbraw/zinc/98/18/24/1321981824.db2.gz AFZDTKFXYVQHIT-PXNSSMCTSA-N 2 0 338.455 3.190 20 0 EGADRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000849063917 1322064571 /nfs/dbraw/zinc/06/45/71/1322064571.db2.gz UWPPKJYVPIGURY-IEBWSBKVSA-N 2 0 328.504 3.155 20 0 EGADRP C[C@H]1CCC[C@H]1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849075832 1322068093 /nfs/dbraw/zinc/06/80/93/1322068093.db2.gz NDWMURRLSCYPOC-WMZOPIPTSA-N 2 0 328.504 3.201 20 0 EGADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849112278 1322083435 /nfs/dbraw/zinc/08/34/35/1322083435.db2.gz FNPGCRFIOPQFGT-WBMJQRKESA-N 2 0 338.858 3.138 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+]2CCCC2(C)C)c1 ZINC000849116828 1322085139 /nfs/dbraw/zinc/08/51/39/1322085139.db2.gz OCLLCRUIOUASMY-UHFFFAOYSA-N 2 0 348.491 3.295 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC[NH+](C)CC1 ZINC000850468808 1322254007 /nfs/dbraw/zinc/25/40/07/1322254007.db2.gz LTXXUMBMDUAZCF-OAHLLOKOSA-N 2 0 334.529 3.490 20 0 EGADRP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)C1CC[NH+](CC2CC2)CC1 ZINC000850582108 1322272592 /nfs/dbraw/zinc/27/25/92/1322272592.db2.gz HNJWPEUQHNQMPK-BRWVUGGUSA-N 2 0 326.575 3.078 20 0 EGADRP Cc1nn(C)c(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1Cl ZINC000921545554 1322347466 /nfs/dbraw/zinc/34/74/66/1322347466.db2.gz YCMCYOPWVZDJMX-KBPBESRZSA-N 2 0 326.916 3.230 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)ccn1 ZINC000922244685 1322486811 /nfs/dbraw/zinc/48/68/11/1322486811.db2.gz XQUDMXCGCNXBPW-PCCBWWKXSA-N 2 0 343.515 3.088 20 0 EGADRP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313138 1322731750 /nfs/dbraw/zinc/73/17/50/1322731750.db2.gz VKGCMNIRLOMTFY-OOHWTWPMSA-N 2 0 328.500 3.495 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1Cl ZINC000923361261 1322740873 /nfs/dbraw/zinc/74/08/73/1322740873.db2.gz HOIVIPBARUCXCX-SUNYJGFJSA-N 2 0 340.870 3.224 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491606 1322760814 /nfs/dbraw/zinc/76/08/14/1322760814.db2.gz JWXLNTWQCPNEPA-DLBZAZTESA-N 2 0 337.467 3.351 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486514 1322760829 /nfs/dbraw/zinc/76/08/29/1322760829.db2.gz RLGFHAQEVAKBHJ-BBWFWOEESA-N 2 0 339.483 3.076 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1C[NH3+] ZINC000923493513 1322761947 /nfs/dbraw/zinc/76/19/47/1322761947.db2.gz HOYQKSXKBNWPKL-WMZOPIPTSA-N 2 0 325.456 3.077 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000924580776 1323062010 /nfs/dbraw/zinc/06/20/10/1323062010.db2.gz YUJZZYFKZATCOQ-UHFFFAOYSA-N 2 0 331.504 3.047 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001023987474 1323066409 /nfs/dbraw/zinc/06/64/09/1323066409.db2.gz SPRCGMPVXALDCN-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001023994125 1323067674 /nfs/dbraw/zinc/06/76/74/1323067674.db2.gz ZDVUYGOCKSJXJN-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924663872 1323101005 /nfs/dbraw/zinc/10/10/05/1323101005.db2.gz XJWIMTBVRAFJOW-QGZVFWFLSA-N 2 0 338.927 3.193 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)c2ccccn2)CC1)CC(C)C ZINC000851892245 1323108069 /nfs/dbraw/zinc/10/80/69/1323108069.db2.gz LGUCPNVFFNRNOY-FQEVSTJZSA-N 2 0 333.520 3.195 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924689038 1323113852 /nfs/dbraw/zinc/11/38/52/1323113852.db2.gz WGZGNXJWDDZCCZ-MISYRCLQSA-N 2 0 332.536 3.233 20 0 EGADRP C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924728368 1323135724 /nfs/dbraw/zinc/13/57/24/1323135724.db2.gz FGFXADPIBUHOIF-INIZCTEOSA-N 2 0 331.504 3.238 20 0 EGADRP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924739756 1323141603 /nfs/dbraw/zinc/14/16/03/1323141603.db2.gz YSTSSLMZVYJDLI-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1csc2ccccc21)CN1CC[NH+](C)CC1 ZINC000924947778 1323223583 /nfs/dbraw/zinc/22/35/83/1323223583.db2.gz AWUUGPQMENXTIY-CVEARBPZSA-N 2 0 331.529 3.435 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924953124 1323227135 /nfs/dbraw/zinc/22/71/35/1323227135.db2.gz PISBIYBNWAMNGK-CVEARBPZSA-N 2 0 329.488 3.275 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924958708 1323228133 /nfs/dbraw/zinc/22/81/33/1323228133.db2.gz GJSNVVSDDAHGBY-SJORKVTESA-N 2 0 327.476 3.038 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cnnn1C ZINC000924989947 1323237591 /nfs/dbraw/zinc/23/75/91/1323237591.db2.gz FSWGMSIYIYKDAA-CQSZACIVSA-N 2 0 347.894 3.031 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024278724 1323256816 /nfs/dbraw/zinc/25/68/16/1323256816.db2.gz SGWLWIBJLRXPPY-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001024278293 1323257071 /nfs/dbraw/zinc/25/70/71/1323257071.db2.gz JGPKWCOUWIFBOI-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278205 1323257236 /nfs/dbraw/zinc/25/72/36/1323257236.db2.gz GWIWPETWSQSSAU-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024436256 1323395809 /nfs/dbraw/zinc/39/58/09/1323395809.db2.gz AUTWWCNFQAPBIA-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2=CCCCC2)CC1 ZINC001024633275 1323559457 /nfs/dbraw/zinc/55/94/57/1323559457.db2.gz GYJBRTAXCZVHPF-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712486 1323621021 /nfs/dbraw/zinc/62/10/21/1323621021.db2.gz ZSSVWDWKXFFIRJ-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811648 1323714640 /nfs/dbraw/zinc/71/46/40/1323714640.db2.gz VRYIGMLCCMPRHO-HXUWFJFHSA-N 2 0 343.515 3.299 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024812250 1323715977 /nfs/dbraw/zinc/71/59/77/1323715977.db2.gz MRPMWSVAMQCEFA-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813639 1323716451 /nfs/dbraw/zinc/71/64/51/1323716451.db2.gz DAWHMZXVYSHQCQ-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001024982746 1323813566 /nfs/dbraw/zinc/81/35/66/1323813566.db2.gz AMLMJLFUDOTYRM-AFMYVXGZSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N1CCCC[C@@H]1C[NH2+]CC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001024999465 1323817562 /nfs/dbraw/zinc/81/75/62/1323817562.db2.gz WMLBZXASGOPLHC-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]2C1 ZINC000931441022 1329118134 /nfs/dbraw/zinc/11/81/34/1329118134.db2.gz AIPOTPFZSGYCOS-MOPGFXCFSA-N 2 0 337.467 3.044 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001025086871 1323886279 /nfs/dbraw/zinc/88/62/79/1323886279.db2.gz JORIJPBAAAQUHJ-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1ccccc1SC[C@@H](C)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480004 1329127711 /nfs/dbraw/zinc/12/77/11/1329127711.db2.gz JJJOLCZPMBCLOC-INIZCTEOSA-N 2 0 336.545 3.112 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266437 1324077184 /nfs/dbraw/zinc/07/71/84/1324077184.db2.gz JREHCXOLBZEGPA-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001025279336 1324100854 /nfs/dbraw/zinc/10/08/54/1324100854.db2.gz ZYBJTAITUNRMMC-WOJBJXKFSA-N 2 0 343.515 3.227 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431834 1324267973 /nfs/dbraw/zinc/26/79/73/1324267973.db2.gz CYLVLFBURKDUKS-LSDHHAIUSA-N 2 0 337.533 3.050 20 0 EGADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001025431950 1324268839 /nfs/dbraw/zinc/26/88/39/1324268839.db2.gz DYAPUTUEUKRFME-HOCLYGCPSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001025469498 1324315691 /nfs/dbraw/zinc/31/56/91/1324315691.db2.gz PZZNVELNBLXLTI-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025585816 1324427027 /nfs/dbraw/zinc/42/70/27/1324427027.db2.gz SLWWADHEWCDSOM-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585285 1324427272 /nfs/dbraw/zinc/42/72/72/1324427272.db2.gz NXHHATIDWYAAAE-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000925216840 1325082687 /nfs/dbraw/zinc/08/26/87/1325082687.db2.gz LBEHUVTYVZWWGN-UXHICEINSA-N 2 0 331.504 3.045 20 0 EGADRP CCS[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925225551 1325087697 /nfs/dbraw/zinc/08/76/97/1325087697.db2.gz HCCHBEATQFYGSN-KKGYMGPXSA-N 2 0 326.550 3.282 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001026932200 1325090061 /nfs/dbraw/zinc/09/00/61/1325090061.db2.gz TUBWGMAUMGTMIZ-LXPRWKDFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315767 1325100110 /nfs/dbraw/zinc/10/01/10/1325100110.db2.gz YGFYWPITURMRIO-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963320010 1325104906 /nfs/dbraw/zinc/10/49/06/1325104906.db2.gz YKOGELSBPYFGQS-SOAGJPPSSA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000963337325 1325127396 /nfs/dbraw/zinc/12/73/96/1325127396.db2.gz NWRBQSYCENIXEU-QFBILLFUSA-N 2 0 340.471 3.061 20 0 EGADRP COc1ccc(OC)c(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925502867 1325181404 /nfs/dbraw/zinc/18/14/04/1325181404.db2.gz HVSMJTMYXJZHJF-LJQANCHMSA-N 2 0 328.456 3.316 20 0 EGADRP CN(C)C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)Cc2ccccc2C1 ZINC000925518722 1325187383 /nfs/dbraw/zinc/18/73/83/1325187383.db2.gz GRYAIJBSMUVBMR-NRFANRHFSA-N 2 0 337.511 3.155 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925565211 1325212320 /nfs/dbraw/zinc/21/23/20/1325212320.db2.gz YKLRJCZIJITNET-APWZRJJASA-N 2 0 332.488 3.127 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925566749 1325213098 /nfs/dbraw/zinc/21/30/98/1325213098.db2.gz FWWTUTNHIGYULU-VQTJNVASSA-N 2 0 342.483 3.113 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C12CCC2 ZINC000925568256 1325214516 /nfs/dbraw/zinc/21/45/16/1325214516.db2.gz NSZQUGLPORLONP-QZTJIDSGSA-N 2 0 327.403 3.373 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000963417578 1325226668 /nfs/dbraw/zinc/22/66/68/1325226668.db2.gz NWFNOMBHOOHDOS-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)NCC2([NH3+])CCCC2)ccc1OC ZINC000854222828 1325229913 /nfs/dbraw/zinc/22/99/13/1325229913.db2.gz LJXXUJPGXRTWBM-MRXNPFEDSA-N 2 0 333.520 3.459 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221398 1325230478 /nfs/dbraw/zinc/23/04/78/1325230478.db2.gz LQLKABBGIHLMTO-QKKBWIMNSA-N 2 0 335.451 3.386 20 0 EGADRP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000854224062 1325231339 /nfs/dbraw/zinc/23/13/39/1325231339.db2.gz VGOXDCQBYJJGLQ-HUUCEWRRSA-N 2 0 325.497 3.026 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000925672594 1325256941 /nfs/dbraw/zinc/25/69/41/1325256941.db2.gz IJJCFNYMNVPSSB-XIRDDKMYSA-N 2 0 344.503 3.163 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1 ZINC000925673070 1325256957 /nfs/dbraw/zinc/25/69/57/1325256957.db2.gz LYMNQFKNDAJQRE-PKOBYXMFSA-N 2 0 327.447 3.474 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000926114295 1325433422 /nfs/dbraw/zinc/43/34/22/1325433422.db2.gz MHXNVELGBMDZTH-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000964184452 1325484876 /nfs/dbraw/zinc/48/48/76/1325484876.db2.gz FDYGYUZJTHWKLQ-XEVCZEQESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926288743 1325505285 /nfs/dbraw/zinc/50/52/85/1325505285.db2.gz YOBHYZHTBYANSD-SJORKVTESA-N 2 0 334.504 3.066 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000926290313 1325505591 /nfs/dbraw/zinc/50/55/91/1325505591.db2.gz LVXOHJGGIJPUKW-UHFFFAOYSA-N 2 0 328.394 3.004 20 0 EGADRP C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926359864 1325527477 /nfs/dbraw/zinc/52/74/77/1325527477.db2.gz YLBHUDQYJUQFRR-UTKZUKDTSA-N 2 0 326.484 3.393 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(Br)n1 ZINC000926560941 1327618072 /nfs/dbraw/zinc/61/80/72/1327618072.db2.gz ULMKNIYAMWWQPE-LBPRGKRZSA-N 2 0 326.282 3.369 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027410666 1327637154 /nfs/dbraw/zinc/63/71/54/1327637154.db2.gz YKAKEWDPKRCLRG-RBUKOAKNSA-N 2 0 349.563 3.218 20 0 EGADRP CC1CC(C[N@H+](C)[C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001027410726 1327637334 /nfs/dbraw/zinc/63/73/34/1327637334.db2.gz HESKZPMTOMBAIC-ACBHZAAOSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCC3CCCC3)C2)CC[N@@H+]1C ZINC001027417605 1327643003 /nfs/dbraw/zinc/64/30/03/1327643003.db2.gz DDASRRJXHUZIMD-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001027416943 1327643927 /nfs/dbraw/zinc/64/39/27/1327643927.db2.gz PWGLFKPJNMERDU-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442439 1327680759 /nfs/dbraw/zinc/68/07/59/1327680759.db2.gz UMBQDPIZHRNJLQ-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449052 1327691062 /nfs/dbraw/zinc/69/10/62/1327691062.db2.gz PXOVKTGPBKQGOI-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447969 1327691195 /nfs/dbraw/zinc/69/11/95/1327691195.db2.gz CRNJXCOIZFKLQC-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027452246 1327693192 /nfs/dbraw/zinc/69/31/92/1327693192.db2.gz LMYUWAUIAVNYOB-PMACEKPBSA-N 2 0 349.563 3.386 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001027459838 1327702644 /nfs/dbraw/zinc/70/26/44/1327702644.db2.gz CWQHWLCIICCNIP-WOJBJXKFSA-N 2 0 345.531 3.066 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC3(C2)CC([NH2+]C(C)C)C3)o1 ZINC000965942756 1328121772 /nfs/dbraw/zinc/12/17/72/1328121772.db2.gz CVZBJDUBSQBKET-UHFFFAOYSA-N 2 0 347.503 3.160 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884489 1328352647 /nfs/dbraw/zinc/35/26/47/1328352647.db2.gz ADPDNEFXNKWUBJ-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001027893484 1328358589 /nfs/dbraw/zinc/35/85/89/1328358589.db2.gz XIJZVFPEJBIUMO-SLFFLAALSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027917912 1328394345 /nfs/dbraw/zinc/39/43/45/1328394345.db2.gz HOECPUAXBGTFQJ-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027918127 1328394571 /nfs/dbraw/zinc/39/45/71/1328394571.db2.gz KHAFZKGSKZIETJ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027918125 1328394805 /nfs/dbraw/zinc/39/48/05/1328394805.db2.gz KHAFZKGSKZIETJ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027918810 1328396405 /nfs/dbraw/zinc/39/64/05/1328396405.db2.gz QIHHNYDVUIMIJJ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001028027657 1328491249 /nfs/dbraw/zinc/49/12/49/1328491249.db2.gz AGRGMEYREXXGNF-GOSISDBHSA-N 2 0 338.455 3.029 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001028030059 1328491964 /nfs/dbraw/zinc/49/19/64/1328491964.db2.gz RDMWPUMPMOHVCH-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP COC(=O)c1cnc(C2CC[NH+](CCCCCCC[NH3+])CC2)s1 ZINC000863550863 1329562616 /nfs/dbraw/zinc/56/26/16/1329562616.db2.gz DKWVVNVEMYMURW-UHFFFAOYSA-N 2 0 339.505 3.018 20 0 EGADRP Cc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000865410408 1329693160 /nfs/dbraw/zinc/69/31/60/1329693160.db2.gz SLUQQENNEFMGKM-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000865419383 1329694730 /nfs/dbraw/zinc/69/47/30/1329694730.db2.gz RKCVWZCTYPDGDX-GOSISDBHSA-N 2 0 343.515 3.134 20 0 EGADRP COCCOc1ccccc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717012 1329732167 /nfs/dbraw/zinc/73/21/67/1329732167.db2.gz LBXIYBKWMBSTBC-UHFFFAOYSA-N 2 0 334.504 3.312 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000865717111 1329732319 /nfs/dbraw/zinc/73/23/19/1329732319.db2.gz OQBSBOBRPARBKD-UHFFFAOYSA-N 2 0 332.414 3.039 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000932626115 1329828868 /nfs/dbraw/zinc/82/88/68/1329828868.db2.gz OXCYTZQZPXLTMQ-INIZCTEOSA-N 2 0 333.545 3.371 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000933770721 1329920968 /nfs/dbraw/zinc/92/09/68/1329920968.db2.gz MJOLWSCPEVVSIB-QGZVFWFLSA-N 2 0 347.503 3.069 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000934844154 1330012306 /nfs/dbraw/zinc/01/23/06/1330012306.db2.gz VPPCVZGGFBGQNF-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCCc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000866225997 1330080740 /nfs/dbraw/zinc/08/07/40/1330080740.db2.gz FNUXCDSOVXKZRL-VQTJNVASSA-N 2 0 333.495 3.065 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102372 1331831043 /nfs/dbraw/zinc/83/10/43/1331831043.db2.gz XVPBETRSECRWBB-WBVHZDCISA-N 2 0 349.544 3.216 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942206320 1331879444 /nfs/dbraw/zinc/87/94/44/1331879444.db2.gz XVAQKDLVRAHBOT-HNAYVOBHSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943290421 1332139725 /nfs/dbraw/zinc/13/97/25/1332139725.db2.gz XIURFBGWDSLERC-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944919970 1332454160 /nfs/dbraw/zinc/45/41/60/1332454160.db2.gz RNHCFDUWRZAZPJ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946623109 1332864581 /nfs/dbraw/zinc/86/45/81/1332864581.db2.gz BWBZISDDYLTYPN-KDURUIRLSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710558 1332881776 /nfs/dbraw/zinc/88/17/76/1332881776.db2.gz SRRWWGBWRSZOEF-KDURUIRLSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552025 1333168927 /nfs/dbraw/zinc/16/89/27/1333168927.db2.gz QRSVTUIXXSSQEX-QAPCUYQASA-N 2 0 342.487 3.353 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC000947686433 1333223462 /nfs/dbraw/zinc/22/34/62/1333223462.db2.gz YEXPXRJZQYNJNV-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948077009 1333367264 /nfs/dbraw/zinc/36/72/64/1333367264.db2.gz AHQLWQSOGBVDAH-HZPDHXFCSA-N 2 0 335.492 3.114 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)C)[C@@H](C)C2)o1 ZINC000948079514 1333368622 /nfs/dbraw/zinc/36/86/22/1333368622.db2.gz XARNJPJEBCZRSN-IRXDYDNUSA-N 2 0 349.519 3.360 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)[C@H](C)C2)o1 ZINC000948079150 1333368796 /nfs/dbraw/zinc/36/87/96/1333368796.db2.gz UMCKOFNEBDCZFH-NVXWUHKLSA-N 2 0 347.503 3.114 20 0 EGADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948374782 1333500945 /nfs/dbraw/zinc/50/09/45/1333500945.db2.gz YNUCBUUUDPDSJZ-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948376855 1333501994 /nfs/dbraw/zinc/50/19/94/1333501994.db2.gz CWSQBUIOBKOUOL-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440026 1333526264 /nfs/dbraw/zinc/52/62/64/1333526264.db2.gz ZQYPOIBRMVROJR-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948642860 1333609005 /nfs/dbraw/zinc/60/90/05/1333609005.db2.gz OXDZPILTUCAZHO-LJQANCHMSA-N 2 0 345.531 3.126 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710962 1333642691 /nfs/dbraw/zinc/64/26/91/1333642691.db2.gz IZTXUFYJVQQFEE-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000948739082 1333653443 /nfs/dbraw/zinc/65/34/43/1333653443.db2.gz XYCRHQDOYKWNOD-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000948767709 1333670673 /nfs/dbraw/zinc/67/06/73/1333670673.db2.gz ZOVJJMXNDGLJCW-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775381 1333673689 /nfs/dbraw/zinc/67/36/89/1333673689.db2.gz HGNTUNYNSYNDTD-HKUYNNGSSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948775739 1333674725 /nfs/dbraw/zinc/67/47/25/1333674725.db2.gz PTRDAVQDDVVQHO-SJLPKXTDSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000948829629 1333701714 /nfs/dbraw/zinc/70/17/14/1333701714.db2.gz SANNBRMJYZSQMD-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833554 1333703898 /nfs/dbraw/zinc/70/38/98/1333703898.db2.gz XIABIYTXVIEROI-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC2CCCCC2)C1 ZINC000950465700 1334075723 /nfs/dbraw/zinc/07/57/23/1334075723.db2.gz DAYLFFRMLPEJCI-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC000950508105 1334082930 /nfs/dbraw/zinc/08/29/30/1334082930.db2.gz DVOXQZCEEXIRAO-IBGZPJMESA-N 2 0 349.563 3.362 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC000950521549 1334084112 /nfs/dbraw/zinc/08/41/12/1334084112.db2.gz OKLUMSYRAOKBAY-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951196588 1334203952 /nfs/dbraw/zinc/20/39/52/1334203952.db2.gz YFLJQSXBSFYOLV-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000952407158 1334451100 /nfs/dbraw/zinc/45/11/00/1334451100.db2.gz QFZANCRZCJWJRX-LJQANCHMSA-N 2 0 349.563 3.218 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C)CC1 ZINC000968459553 1335931597 /nfs/dbraw/zinc/93/15/97/1335931597.db2.gz MQTKQPKMOMVDKQ-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968689041 1336012841 /nfs/dbraw/zinc/01/28/41/1336012841.db2.gz RVKYXCNYLOHFQB-SJLPKXTDSA-N 2 0 349.519 3.362 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCCC1 ZINC000968782269 1336048450 /nfs/dbraw/zinc/04/84/50/1336048450.db2.gz UWJSSETVBNQPQG-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968851728 1336067387 /nfs/dbraw/zinc/06/73/87/1336067387.db2.gz XKONFROGQIJTLH-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968850389 1336067847 /nfs/dbraw/zinc/06/78/47/1336067847.db2.gz XTPCNXOMJDJUDY-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887805 1336080401 /nfs/dbraw/zinc/08/04/01/1336080401.db2.gz MYYJXWVKMVQBQY-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990513 1336112365 /nfs/dbraw/zinc/11/23/65/1336112365.db2.gz FWQZTCQYFWHVHX-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(C)C)C1 ZINC000968990710 1336112379 /nfs/dbraw/zinc/11/23/79/1336112379.db2.gz KZZFUMRTDVZHER-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC000969212032 1336177767 /nfs/dbraw/zinc/17/77/67/1336177767.db2.gz SLQDZABPDOCPKX-VQIMIIECSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000969595038 1336226460 /nfs/dbraw/zinc/22/64/60/1336226460.db2.gz MAJNVRZQERVKPO-NSISKUIASA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000969948316 1336264001 /nfs/dbraw/zinc/26/40/01/1336264001.db2.gz JTSDJOIFYWCAJN-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1C[NH+](CCC(C)(C)C)C1 ZINC000970593495 1336325807 /nfs/dbraw/zinc/32/58/07/1336325807.db2.gz NVMSYANJERNBPO-INIZCTEOSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005590268 1336376333 /nfs/dbraw/zinc/37/63/33/1336376333.db2.gz XADWDIWXXUPBRW-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP CC1CCC(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001005590673 1336376669 /nfs/dbraw/zinc/37/66/69/1336376669.db2.gz BJZSJBIATISNEM-QLOJAFMTSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005594505 1336377436 /nfs/dbraw/zinc/37/74/36/1336377436.db2.gz ZWTFWOGBDZJPMH-HXUWFJFHSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001005991513 1336435563 /nfs/dbraw/zinc/43/55/63/1336435563.db2.gz NPFOTZVVTMNISA-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001006085905 1336450278 /nfs/dbraw/zinc/45/02/78/1336450278.db2.gz GVHIWYWVCNBFKM-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006291683 1336484387 /nfs/dbraw/zinc/48/43/87/1336484387.db2.gz HUIUEMCKKYDWKH-ZWKOTPCHSA-N 2 0 343.515 3.012 20 0 EGADRP CC1CCC(C[NH+]2CCC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001006294088 1336484940 /nfs/dbraw/zinc/48/49/40/1336484940.db2.gz KNXWVAWYSWNJDH-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001006407220 1336500658 /nfs/dbraw/zinc/50/06/58/1336500658.db2.gz KJZDOWAGUYBLDH-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006446045 1336507534 /nfs/dbraw/zinc/50/75/34/1336507534.db2.gz SHMJWCXRHAWKKI-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001007496647 1336657541 /nfs/dbraw/zinc/65/75/41/1336657541.db2.gz QHMCATZYRIABIC-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001007496644 1336657803 /nfs/dbraw/zinc/65/78/03/1336657803.db2.gz QHMCATZYRIABIC-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007744342 1336693753 /nfs/dbraw/zinc/69/37/53/1336693753.db2.gz JABAFVWJBQEZAT-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC1 ZINC001008554698 1336880157 /nfs/dbraw/zinc/88/01/57/1336880157.db2.gz ZPJICOWZNXQACG-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008746765 1336919272 /nfs/dbraw/zinc/91/92/72/1336919272.db2.gz JOBAUXUHCXETMJ-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008746770 1336919340 /nfs/dbraw/zinc/91/93/40/1336919340.db2.gz JOBAUXUHCXETMJ-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008747479 1336919547 /nfs/dbraw/zinc/91/95/47/1336919547.db2.gz LIEBBIYXBQAFAX-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001009637559 1337050577 /nfs/dbraw/zinc/05/05/77/1337050577.db2.gz PCMBOKLVMFGSBA-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1O ZINC001206325193 1371023699 /nfs/dbraw/zinc/02/36/99/1371023699.db2.gz GEXNJVMPNZRPFM-MRXNPFEDSA-N 2 0 341.293 3.414 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014391251 1337763794 /nfs/dbraw/zinc/76/37/94/1337763794.db2.gz BPIHOMQBPRAYHC-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCCC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014728089 1337889015 /nfs/dbraw/zinc/88/90/15/1337889015.db2.gz LBGILVPEXOSZQP-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015387997 1338120914 /nfs/dbraw/zinc/12/09/14/1338120914.db2.gz OHNCMHBNVIRKGC-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001015792692 1338312036 /nfs/dbraw/zinc/31/20/36/1338312036.db2.gz BJIUEKJCVCUBOK-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001015794643 1338314762 /nfs/dbraw/zinc/31/47/62/1338314762.db2.gz IPGYJVUAGOBMFE-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015797117 1338315153 /nfs/dbraw/zinc/31/51/53/1338315153.db2.gz XWOJFGPTOYBLLT-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)C2)c1 ZINC001016323030 1338549497 /nfs/dbraw/zinc/54/94/97/1338549497.db2.gz MVXLRODEHVEORI-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)C2)c1 ZINC001016329898 1338552492 /nfs/dbraw/zinc/55/24/92/1338552492.db2.gz CYUZBFPDIFXDDD-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001016340281 1338555095 /nfs/dbraw/zinc/55/50/95/1338555095.db2.gz WFBLDBLTSKEAFU-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016610922 1338663137 /nfs/dbraw/zinc/66/31/37/1338663137.db2.gz AEIXYDLATSZLHZ-QZTJIDSGSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663370 1338683772 /nfs/dbraw/zinc/68/37/72/1338683772.db2.gz QEDWXXRMBNOTSZ-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016973559 1338788980 /nfs/dbraw/zinc/78/89/80/1338788980.db2.gz CXAQWUSKNZNXEB-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016984990 1338792804 /nfs/dbraw/zinc/79/28/04/1338792804.db2.gz HSHOAIPKSPHXOV-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CC3CCCCC3)C2)CCC1 ZINC001017141344 1338893701 /nfs/dbraw/zinc/89/37/01/1338893701.db2.gz DPXQVPOFVSLCLV-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017153458 1338904319 /nfs/dbraw/zinc/90/43/19/1338904319.db2.gz PVRLEPYFFTUDAG-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001017249279 1338979496 /nfs/dbraw/zinc/97/94/96/1338979496.db2.gz AJWYEDSMWIIIHL-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1nc[nH]c1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001017254312 1338984691 /nfs/dbraw/zinc/98/46/91/1338984691.db2.gz QTUMJIBOIQTXKQ-GOSISDBHSA-N 2 0 346.519 3.011 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018025676 1339484889 /nfs/dbraw/zinc/48/48/89/1339484889.db2.gz JKJZDCMYUOUYEQ-RLLQIKCJSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176734 1339522707 /nfs/dbraw/zinc/52/27/07/1339522707.db2.gz OQOOWLZFNKGGBT-LWYYNNOASA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001028180757 1340470715 /nfs/dbraw/zinc/47/07/15/1340470715.db2.gz FJULJMSYPKZYCK-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001028902546 1340879478 /nfs/dbraw/zinc/87/94/78/1340879478.db2.gz YWCSKWAXVNNGKB-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001029145988 1340942755 /nfs/dbraw/zinc/94/27/55/1340942755.db2.gz GGXQDMAQZFFWNL-LPHOPBHVSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029595585 1341018584 /nfs/dbraw/zinc/01/85/84/1341018584.db2.gz MZUMCKYUTJOEQD-QGZVKYPTSA-N 2 0 347.547 3.115 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029597172 1341018919 /nfs/dbraw/zinc/01/89/19/1341018919.db2.gz KUHSJBHPTCWTFR-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCCCC3)C2)CCC1 ZINC001029756364 1341064369 /nfs/dbraw/zinc/06/43/69/1341064369.db2.gz UTNUAOMQFFTLQV-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)CC1CCCCCC1 ZINC001029824099 1341086838 /nfs/dbraw/zinc/08/68/38/1341086838.db2.gz LXHTXJPLKLERDB-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029910347 1341113811 /nfs/dbraw/zinc/11/38/11/1341113811.db2.gz HKNMURFBQIDOHG-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001029990591 1341148404 /nfs/dbraw/zinc/14/84/04/1341148404.db2.gz OCFAEPVHEXJBKJ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC1CCC(C[NH+]2CC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001030444671 1341187994 /nfs/dbraw/zinc/18/79/94/1341187994.db2.gz LPYSSMUFPGIRJA-LBXVMSDZSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001031235190 1341301348 /nfs/dbraw/zinc/30/13/48/1341301348.db2.gz PPHNWRMZQJHBEX-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031816348 1341405047 /nfs/dbraw/zinc/40/50/47/1341405047.db2.gz ANYGHNHFJKXBSF-INIZCTEOSA-N 2 0 348.450 3.066 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042763 1341444063 /nfs/dbraw/zinc/44/40/63/1341444063.db2.gz JPTXYNVVZSKQLK-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001032129024 1341459944 /nfs/dbraw/zinc/45/99/44/1341459944.db2.gz OTEYXMWSAFUTPI-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032609739 1341558348 /nfs/dbraw/zinc/55/83/48/1341558348.db2.gz ICBLNOXIYQBYHK-LWYYNNOASA-N 2 0 343.515 3.009 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1 ZINC001032802999 1341618837 /nfs/dbraw/zinc/61/88/37/1341618837.db2.gz WHPQIROQQWVXLB-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001033092001 1341720416 /nfs/dbraw/zinc/72/04/16/1341720416.db2.gz PMRVVVVVQBDXMM-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001033098798 1341722208 /nfs/dbraw/zinc/72/22/08/1341722208.db2.gz KHDDNJFVATXCNX-SLFFLAALSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033143896 1341738002 /nfs/dbraw/zinc/73/80/02/1341738002.db2.gz NJDJWTCKGFNEIB-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365534 1341797815 /nfs/dbraw/zinc/79/78/15/1341797815.db2.gz OQSBCLQAYSDSNL-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)CC1 ZINC001033427043 1341822018 /nfs/dbraw/zinc/82/20/18/1341822018.db2.gz XIQQOVYRYSMCDO-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033686695 1341952147 /nfs/dbraw/zinc/95/21/47/1341952147.db2.gz RLYPZLQAMRTORH-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC3CCC3)C2)o1 ZINC001033699070 1341966148 /nfs/dbraw/zinc/96/61/48/1341966148.db2.gz JWYAFYGYESAHMY-KRWDZBQOSA-N 2 0 347.503 3.068 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033878625 1342056199 /nfs/dbraw/zinc/05/61/99/1342056199.db2.gz MNXLHBICMTWADA-GOSISDBHSA-N 2 0 340.471 3.145 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)[NH+](C)C ZINC001075940298 1356451312 /nfs/dbraw/zinc/45/13/12/1356451312.db2.gz ICPBPZLSVYIWLE-IPMKNSEASA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209581 1342318922 /nfs/dbraw/zinc/31/89/22/1342318922.db2.gz BXJCXJUMIKYMSM-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034212978 1342322168 /nfs/dbraw/zinc/32/21/68/1342322168.db2.gz SOAFPXIHLQRSPC-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034240508 1342341396 /nfs/dbraw/zinc/34/13/96/1342341396.db2.gz QMVSHQJAQJIWDZ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCCC[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001034286238 1342374170 /nfs/dbraw/zinc/37/41/70/1342374170.db2.gz XCSDKCQCLDWQSP-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034367719 1342437554 /nfs/dbraw/zinc/43/75/54/1342437554.db2.gz HIEXWOOFNMSTDB-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034398126 1342465107 /nfs/dbraw/zinc/46/51/07/1342465107.db2.gz MHRLDBJLCCLXDW-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444517 1342504466 /nfs/dbraw/zinc/50/44/66/1342504466.db2.gz HSNSQQNSKJLMGS-VQIMIIECSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479228 1342536824 /nfs/dbraw/zinc/53/68/24/1342536824.db2.gz UZVGDMASFHDYEF-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034538044 1342595162 /nfs/dbraw/zinc/59/51/62/1342595162.db2.gz HMCSFKKKGPYOQW-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034612570 1342647815 /nfs/dbraw/zinc/64/78/15/1342647815.db2.gz SXQJYQXSAGXMAX-SOAMZJECSA-N 2 0 343.515 3.167 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cs1 ZINC001034674297 1342685809 /nfs/dbraw/zinc/68/58/09/1342685809.db2.gz KWEMPZHIHCTIOH-KZNAEPCWSA-N 2 0 349.544 3.058 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001034776439 1342754188 /nfs/dbraw/zinc/75/41/88/1342754188.db2.gz UIPWLFYPONGILU-WFAGLZIHSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034796252 1342762885 /nfs/dbraw/zinc/76/28/85/1342762885.db2.gz GRNVRUBTDJUNDG-PSBWJHGTSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034796554 1342763248 /nfs/dbraw/zinc/76/32/48/1342763248.db2.gz ITIUFGNKSXSOSJ-BMOGMMAESA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1)[NH+](C)C ZINC001034966502 1342855833 /nfs/dbraw/zinc/85/58/33/1342855833.db2.gz RZERMEZEKDMIOY-LZQZEXGQSA-N 2 0 349.494 3.054 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001035028924 1342885182 /nfs/dbraw/zinc/88/51/82/1342885182.db2.gz ZBKHFJRNLJIRPD-KPZODNFCSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC001035070097 1342911201 /nfs/dbraw/zinc/91/12/01/1342911201.db2.gz HLGYGCHIBHNULM-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035071177 1342911635 /nfs/dbraw/zinc/91/16/35/1342911635.db2.gz PWYQOUUJJUBYFC-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001035086256 1342919165 /nfs/dbraw/zinc/91/91/65/1342919165.db2.gz RCBAAFMNUZKJKP-AZUAARDMSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233558 1343055210 /nfs/dbraw/zinc/05/52/10/1343055210.db2.gz IRWWEAIHOIJQIB-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244071 1343065659 /nfs/dbraw/zinc/06/56/59/1343065659.db2.gz ILWPFMDJZRASSI-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C[NH+](CCC3CCCCC3)C2)CC1)[NH+](C)C ZINC001035797190 1343203246 /nfs/dbraw/zinc/20/32/46/1343203246.db2.gz VWBZYYNYIHTCCW-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035858787 1343235091 /nfs/dbraw/zinc/23/50/91/1343235091.db2.gz ZYPMKZRFJKZZIT-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036139227 1343324499 /nfs/dbraw/zinc/32/44/99/1343324499.db2.gz XOUGDZNTFGSNJJ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036204412 1343362547 /nfs/dbraw/zinc/36/25/47/1343362547.db2.gz SACPKEDFPZBAAA-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001036406004 1343467711 /nfs/dbraw/zinc/46/77/11/1343467711.db2.gz NZJGJLQQDQMRDP-ZBFHGGJFSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036408009 1343468893 /nfs/dbraw/zinc/46/88/93/1343468893.db2.gz CYVOKBXSXSTSRA-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001036445979 1343492442 /nfs/dbraw/zinc/49/24/42/1343492442.db2.gz XNGSIXWIXLDDHY-IEBWSBKVSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001036481720 1343508264 /nfs/dbraw/zinc/50/82/64/1343508264.db2.gz ZKVQTUXLZBCKCN-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036556390 1343552375 /nfs/dbraw/zinc/55/23/75/1343552375.db2.gz JYIKYDALMJATIX-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CC1CCCCCC1 ZINC001036597328 1343569596 /nfs/dbraw/zinc/56/95/96/1343569596.db2.gz DWJGZOSJQCQBJF-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037104416 1343975172 /nfs/dbraw/zinc/97/51/72/1343975172.db2.gz UELGUCHTKZAILI-RTBURBONSA-N 2 0 349.563 3.029 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC001037240754 1344063008 /nfs/dbraw/zinc/06/30/08/1344063008.db2.gz MIJOIDLJDQDZTP-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001037280945 1344071973 /nfs/dbraw/zinc/07/19/73/1344071973.db2.gz YOWDNPJDXXYOFT-MOPGFXCFSA-N 2 0 331.504 3.035 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037964342 1344208062 /nfs/dbraw/zinc/20/80/62/1344208062.db2.gz SMFLFLINPQMJIR-QUCCMNQESA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1[NH2+]C(C)C ZINC001037991974 1344224699 /nfs/dbraw/zinc/22/46/99/1344224699.db2.gz SLQBJBLMGQZHKV-AEFFLSMTSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038339367 1344387300 /nfs/dbraw/zinc/38/73/00/1344387300.db2.gz GRGFCZJVWZRBOC-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001038348896 1344391803 /nfs/dbraw/zinc/39/18/03/1344391803.db2.gz DMKGFDZFTPLKBA-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001038348902 1344391931 /nfs/dbraw/zinc/39/19/31/1344391931.db2.gz DMKGFDZFTPLKBA-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353479 1344394398 /nfs/dbraw/zinc/39/43/98/1344394398.db2.gz NKSSVAVSEWCVDM-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001039047645 1344732764 /nfs/dbraw/zinc/73/27/64/1344732764.db2.gz FSAVUKMFWOFMOK-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001039049722 1344735374 /nfs/dbraw/zinc/73/53/74/1344735374.db2.gz MLFNLINSPSSPJX-LJQANCHMSA-N 2 0 341.499 3.053 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001039051395 1344736819 /nfs/dbraw/zinc/73/68/19/1344736819.db2.gz VPXVUYIBSKOPPD-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)(C)C)o1 ZINC001039071533 1344754617 /nfs/dbraw/zinc/75/46/17/1344754617.db2.gz ANXXNZSONDOPBG-INIZCTEOSA-N 2 0 349.519 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039075040 1344756936 /nfs/dbraw/zinc/75/69/36/1344756936.db2.gz XQDMZUVLDKKIBU-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137315 1344816895 /nfs/dbraw/zinc/81/68/95/1344816895.db2.gz GIKSRQICSFOKAJ-UXHICEINSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039175836 1344867114 /nfs/dbraw/zinc/86/71/14/1344867114.db2.gz DWLOTGXONYJXTL-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039277030 1344993784 /nfs/dbraw/zinc/99/37/84/1344993784.db2.gz VEYWERPDAFADCL-IPQPSQTFSA-N 2 0 335.536 3.017 20 0 EGADRP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039284628 1344996505 /nfs/dbraw/zinc/99/65/05/1344996505.db2.gz YXUQPQITJGSPDP-ZNXRZULTSA-N 2 0 335.536 3.161 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039302377 1345004568 /nfs/dbraw/zinc/00/45/68/1345004568.db2.gz DDHNUZLQRQZUIG-IHWFROFDSA-N 2 0 343.515 3.274 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384879 1345038284 /nfs/dbraw/zinc/03/82/84/1345038284.db2.gz OXHAXFPQTCRWHT-ZCNNSNEGSA-N 2 0 349.563 3.076 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388137 1345040162 /nfs/dbraw/zinc/04/01/62/1345040162.db2.gz BUQBGSXSROHZCX-AQNXPRMDSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039398084 1345046131 /nfs/dbraw/zinc/04/61/31/1345046131.db2.gz KVAGKYIOXWYTCZ-AABGKKOBSA-N 2 0 347.547 3.138 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001040014901 1345288359 /nfs/dbraw/zinc/28/83/59/1345288359.db2.gz UAVHZXJJZPLCIV-LFGUQSLTSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040396969 1345475920 /nfs/dbraw/zinc/47/59/20/1345475920.db2.gz XHXXKDRKTQTSPS-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001040723727 1345571143 /nfs/dbraw/zinc/57/11/43/1345571143.db2.gz LDUGFYWDIOAOSC-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2)[NH+](C)C ZINC001040744752 1345573526 /nfs/dbraw/zinc/57/35/26/1345573526.db2.gz AMHYATMLMLSKHN-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1=CCCCC1)CC2)[NH+](C)C ZINC001040852752 1345588328 /nfs/dbraw/zinc/58/83/28/1345588328.db2.gz CLIHIZNRAGNPCA-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040875215 1345592602 /nfs/dbraw/zinc/59/26/02/1345592602.db2.gz WFDNIDVMMOQAKW-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCC(C)C)C3)C2)C1 ZINC001041587761 1345783610 /nfs/dbraw/zinc/78/36/10/1345783610.db2.gz RULQTQPMEGYFEA-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063375 1345933457 /nfs/dbraw/zinc/93/34/57/1345933457.db2.gz VSPJMIQIWFYLSS-RTBURBONSA-N 2 0 347.547 3.140 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC3CC3)C[C@H]2C)o1 ZINC001044876580 1346452847 /nfs/dbraw/zinc/45/28/47/1346452847.db2.gz GJZFHHNIBGYROX-NVXWUHKLSA-N 2 0 347.503 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045060680 1346488342 /nfs/dbraw/zinc/48/83/42/1346488342.db2.gz GZPKFZVMEZGZEF-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)[NH+]1CCCCCC1 ZINC001045228876 1346536457 /nfs/dbraw/zinc/53/64/57/1346536457.db2.gz DVGUQLCCLNOEON-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001045251406 1346540938 /nfs/dbraw/zinc/54/09/38/1346540938.db2.gz RCBAAFMNUZKJKP-QUCCMNQESA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CCC(C)C)CC2)C1 ZINC001045531427 1346618976 /nfs/dbraw/zinc/61/89/76/1346618976.db2.gz IHHIJAXHNMZYCD-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045619504 1346649661 /nfs/dbraw/zinc/64/96/61/1346649661.db2.gz HTNRITCSIPMUNE-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001045797160 1346700684 /nfs/dbraw/zinc/70/06/84/1346700684.db2.gz SPLKTJZEELEKNJ-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001045876311 1346728879 /nfs/dbraw/zinc/72/88/79/1346728879.db2.gz GBTNEACDLJTKRS-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940580 1346776232 /nfs/dbraw/zinc/77/62/32/1346776232.db2.gz AYMQYLKWGPNHMM-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958003 1346793045 /nfs/dbraw/zinc/79/30/45/1346793045.db2.gz IXZQAPSSNJGWJL-NRFANRHFSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974064 1346810374 /nfs/dbraw/zinc/81/03/74/1346810374.db2.gz XFBACPBGZZOGNG-CTNGQTDRSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986680 1346828795 /nfs/dbraw/zinc/82/87/95/1346828795.db2.gz XZUWNJGCQIIAQS-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483422 1346990881 /nfs/dbraw/zinc/99/08/81/1346990881.db2.gz AANGHQYNHYOKLW-HRAATJIYSA-N 2 0 348.450 3.290 20 0 EGADRP Cc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001046486832 1346992093 /nfs/dbraw/zinc/99/20/93/1346992093.db2.gz LWGLMNCGWVNOGN-NRFANRHFSA-N 2 0 348.450 3.037 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001046554338 1347015016 /nfs/dbraw/zinc/01/50/16/1347015016.db2.gz OMEAZEFOABXQTD-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001046568755 1347021590 /nfs/dbraw/zinc/02/15/90/1347021590.db2.gz CDWVMRGOKHZTNM-HFSMHLIXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618730 1347040366 /nfs/dbraw/zinc/04/03/66/1347040366.db2.gz IWYWSOBBPNQVMX-NRFANRHFSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C3CC[NH+](C(C)C)CC3)C2)CC[N@@H+]1C ZINC001047241074 1347267422 /nfs/dbraw/zinc/26/74/22/1347267422.db2.gz KKNKSLNZZAWRDA-SLFFLAALSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047242835 1347268883 /nfs/dbraw/zinc/26/88/83/1347268883.db2.gz GEHDUBIHGSMPKG-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047245139 1347270360 /nfs/dbraw/zinc/27/03/60/1347270360.db2.gz XRRXXEUGMRTFMY-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252285 1347276879 /nfs/dbraw/zinc/27/68/79/1347276879.db2.gz AWTUPIBGQRYCJA-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001047256820 1347280272 /nfs/dbraw/zinc/28/02/72/1347280272.db2.gz CGSSQWWEFCBZDL-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079687897 1357348435 /nfs/dbraw/zinc/34/84/35/1357348435.db2.gz YBTUYJQLUSXMKI-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048524820 1347577675 /nfs/dbraw/zinc/57/76/75/1347577675.db2.gz ANBALUVDHWKAFD-FCGDIQPGSA-N 2 0 335.536 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048530183 1347579841 /nfs/dbraw/zinc/57/98/41/1347579841.db2.gz HWWXZFCMSBMRFT-YRPNKDGESA-N 2 0 347.547 3.186 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048590324 1347609233 /nfs/dbraw/zinc/60/92/33/1347609233.db2.gz MVLRWAYGUBANCK-IYWMVGAKSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048590588 1347609881 /nfs/dbraw/zinc/60/98/81/1347609881.db2.gz PEACTYRUXXPSEK-IYWMVGAKSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048624679 1347623671 /nfs/dbraw/zinc/62/36/71/1347623671.db2.gz XZVWYXCTDHTKHF-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048911009 1347683213 /nfs/dbraw/zinc/68/32/13/1347683213.db2.gz RDODDRVNWLOGPC-HDICACEKSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC001049094785 1347723510 /nfs/dbraw/zinc/72/35/10/1347723510.db2.gz QBFWLZOLMUDXGP-QRVBRYPASA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1)C1CCC1 ZINC001049522431 1347890570 /nfs/dbraw/zinc/89/05/70/1347890570.db2.gz PZCWBSHSHZVJLF-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049548142 1347902543 /nfs/dbraw/zinc/90/25/43/1347902543.db2.gz CPIBONFWKGIVEC-VAMGGRTRSA-N 2 0 347.547 3.282 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049638891 1347948055 /nfs/dbraw/zinc/94/80/55/1347948055.db2.gz NCBQRPOHSWOLLZ-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787097 1348022034 /nfs/dbraw/zinc/02/20/34/1348022034.db2.gz DZTGTTXQPRJQDM-VQTJNVASSA-N 2 0 343.515 3.227 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913968 1348108951 /nfs/dbraw/zinc/10/89/51/1348108951.db2.gz KZBYKAQOTQKJKK-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913967 1348109053 /nfs/dbraw/zinc/10/90/53/1348109053.db2.gz KZBYKAQOTQKJKK-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC001050261645 1348221447 /nfs/dbraw/zinc/22/14/47/1348221447.db2.gz IMXHIOGDOPVEFT-OXQOHEQNSA-N 2 0 343.515 3.236 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)C3)CC2)CC[N@@H+]1C ZINC001050328779 1348228598 /nfs/dbraw/zinc/22/85/98/1348228598.db2.gz LJKACGOKDBNIKO-OMRUQTPYSA-N 2 0 349.563 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050392390 1348249108 /nfs/dbraw/zinc/24/91/08/1348249108.db2.gz ABGPKCUWXJMNGA-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCCC1CCCC1)CC2)[NH+](C)C ZINC001050561471 1348289721 /nfs/dbraw/zinc/28/97/21/1348289721.db2.gz ULCWJKKZCLSVQO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)CC1 ZINC001050574882 1348292163 /nfs/dbraw/zinc/29/21/63/1348292163.db2.gz YZZUXVVRMPXPPK-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001050728181 1348339658 /nfs/dbraw/zinc/33/96/58/1348339658.db2.gz NGLRGKXOPBUPLG-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050764751 1348352177 /nfs/dbraw/zinc/35/21/77/1348352177.db2.gz GOSYZKQXECKASN-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC001051342124 1348437858 /nfs/dbraw/zinc/43/78/58/1348437858.db2.gz DLKKVFVTSQQUIL-BHIYHBOVSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)CC[N@@H+]1C ZINC001052392354 1348539312 /nfs/dbraw/zinc/53/93/12/1348539312.db2.gz WPNLXFUNFOKPIX-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052499565 1348560050 /nfs/dbraw/zinc/56/00/50/1348560050.db2.gz YHECPJJACGBOCL-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052499312 1348560280 /nfs/dbraw/zinc/56/02/80/1348560280.db2.gz SWRCNBCWGONICG-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052621110 1348598475 /nfs/dbraw/zinc/59/84/75/1348598475.db2.gz WTBNWLMSQAUDMO-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CC2)CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001052651873 1348614123 /nfs/dbraw/zinc/61/41/23/1348614123.db2.gz NYLFSEPXMNBXIJ-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651890 1348614334 /nfs/dbraw/zinc/61/43/34/1348614334.db2.gz OLKHNGVFDVJNIG-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)CC2)CC1 ZINC001052680465 1348627643 /nfs/dbraw/zinc/62/76/43/1348627643.db2.gz LNAOBSGXLDWUPI-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052859801 1348705855 /nfs/dbraw/zinc/70/58/55/1348705855.db2.gz NJOSFXQYXASLDH-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933770 1348754739 /nfs/dbraw/zinc/75/47/39/1348754739.db2.gz FNCCHNROFPHJQQ-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052955408 1348769416 /nfs/dbraw/zinc/76/94/16/1348769416.db2.gz FMZMCWWMKAKFTI-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955272 1348769696 /nfs/dbraw/zinc/76/96/96/1348769696.db2.gz BTNCCLACBZZSPK-IEBWSBKVSA-N 2 0 345.531 3.379 20 0 EGADRP C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001052990033 1348790414 /nfs/dbraw/zinc/79/04/14/1348790414.db2.gz IMZJVQQJOUTVIH-WJHBCWJKSA-N 2 0 347.547 3.138 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042403 1348844046 /nfs/dbraw/zinc/84/40/46/1348844046.db2.gz PSPVPDIRDZFCMD-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107358 1348946388 /nfs/dbraw/zinc/94/63/88/1348946388.db2.gz FWKLYXCQSKMHDR-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054159467 1349161022 /nfs/dbraw/zinc/16/10/22/1349161022.db2.gz VVCSXDLTBCLBBQ-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@]3(CC[NH+](CC(C)C)C3)C2)C1 ZINC001054182932 1349185834 /nfs/dbraw/zinc/18/58/34/1349185834.db2.gz UOIVWNGJNNVRKX-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199082 1349201740 /nfs/dbraw/zinc/20/17/40/1349201740.db2.gz MRLOTAKHFYAFEW-AZUAARDMSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054244349 1349237755 /nfs/dbraw/zinc/23/77/55/1349237755.db2.gz DHHZVMJGCYPHGN-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054740571 1349451113 /nfs/dbraw/zinc/45/11/13/1349451113.db2.gz WHIQAJNDNAAFQW-LPHOPBHVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001054968174 1349530370 /nfs/dbraw/zinc/53/03/70/1349530370.db2.gz CZSUFOKQLFNMDD-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001080318489 1357572776 /nfs/dbraw/zinc/57/27/76/1357572776.db2.gz ULOBELSTMKFAOW-NSISKUIASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001080556998 1357676830 /nfs/dbraw/zinc/67/68/30/1357676830.db2.gz AZMKJCVLVGVDCS-BHIYHBOVSA-N 2 0 349.563 3.122 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985183 1358937037 /nfs/dbraw/zinc/93/70/37/1358937037.db2.gz VJBVCFDQRLJIOS-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CCCCC1 ZINC001071735335 1354887130 /nfs/dbraw/zinc/88/71/30/1354887130.db2.gz KNISQLFONWMKFL-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC001071739325 1354888901 /nfs/dbraw/zinc/88/89/01/1354888901.db2.gz QVNIWEQKLTUWLC-IRXDYDNUSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001071738960 1354889045 /nfs/dbraw/zinc/88/90/45/1354889045.db2.gz LPTDLXLRGLRTRW-IEBWSBKVSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCC1=CCCCC1 ZINC001071796011 1354941595 /nfs/dbraw/zinc/94/15/95/1354941595.db2.gz PERCVSRLTFMVOT-PXNSSMCTSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCCC1CCC1 ZINC001071871726 1354997278 /nfs/dbraw/zinc/99/72/78/1354997278.db2.gz JYAYAUNSHJSTFV-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1=CCCCC1 ZINC001071873266 1354998308 /nfs/dbraw/zinc/99/83/08/1354998308.db2.gz UDTIKTHOGOMWCG-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCC1CCCC1 ZINC001071872665 1354998637 /nfs/dbraw/zinc/99/86/37/1354998637.db2.gz PJRPVIBETCACGA-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096361 1355127733 /nfs/dbraw/zinc/12/77/33/1355127733.db2.gz YBWBHMWXDZSQBN-XLIONFOSSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCC1CCCC1)C2)[NH+](C)C ZINC001072955519 1355520422 /nfs/dbraw/zinc/52/04/22/1355520422.db2.gz NTTRBLYTLTVXMP-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073126119 1355610380 /nfs/dbraw/zinc/61/03/80/1355610380.db2.gz WQDDLEVTZZAGFB-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001074032654 1356045463 /nfs/dbraw/zinc/04/54/63/1356045463.db2.gz YVWWHQYQPSJJGZ-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001074053465 1356057556 /nfs/dbraw/zinc/05/75/56/1356057556.db2.gz TZMCNQVVRSINHZ-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C)c1ccccc1 ZINC001074993711 1356282742 /nfs/dbraw/zinc/28/27/42/1356282742.db2.gz VIXIXIIIGRSYHG-BJLQDIEVSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458913 1356391735 /nfs/dbraw/zinc/39/17/35/1356391735.db2.gz SPIKJFUIFYAPNV-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001075461968 1356396222 /nfs/dbraw/zinc/39/62/22/1356396222.db2.gz XTXFYBJPBZIEIF-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)CC[N@@H+]1C ZINC001097718376 1363108111 /nfs/dbraw/zinc/10/81/11/1363108111.db2.gz HZECTWDAQKXRMK-FLNBYBTLSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099315871 1363745715 /nfs/dbraw/zinc/74/57/15/1363745715.db2.gz IXUIHEGQRBJULR-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517290 1387316103 /nfs/dbraw/zinc/31/61/03/1387316103.db2.gz YWTOAWSLSYZYMD-BWPKTWLJSA-N 2 0 349.563 3.291 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938736 1358352225 /nfs/dbraw/zinc/35/22/25/1358352225.db2.gz CRFOQDUTMRLFFB-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3=CCCCC3)[C@H]2C1)[NH+](C)C ZINC001084970622 1358356459 /nfs/dbraw/zinc/35/64/59/1358356459.db2.gz NGVQFKZZAIVIOL-AQNXPRMDSA-N 2 0 347.547 3.140 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085432884 1358498487 /nfs/dbraw/zinc/49/84/87/1358498487.db2.gz UVDWCGDQLNDIGS-AQNXPRMDSA-N 2 0 347.547 3.378 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)c1 ZINC001085432430 1358498566 /nfs/dbraw/zinc/49/85/66/1358498566.db2.gz XLKZAHHFXALGLG-WOJBJXKFSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085593573 1358620349 /nfs/dbraw/zinc/62/03/49/1358620349.db2.gz MITYCVHQGLFQLY-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001085604037 1358627137 /nfs/dbraw/zinc/62/71/37/1358627137.db2.gz VQUQCUWTNPGTNQ-SLFFLAALSA-N 2 0 347.547 3.140 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCCC1CCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699931 1358694030 /nfs/dbraw/zinc/69/40/30/1358694030.db2.gz ZOEHAAFVQLSWRW-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1CCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699464 1358694111 /nfs/dbraw/zinc/69/41/11/1358694111.db2.gz OMNQXKYQMQUTPG-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(CC)CC)C1 ZINC001085779402 1358753597 /nfs/dbraw/zinc/75/35/97/1358753597.db2.gz UWCRZHQEDZTNEG-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1CC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782067 1358756648 /nfs/dbraw/zinc/75/66/48/1358756648.db2.gz MFKBXWBOJJGLGL-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086122387 1359002499 /nfs/dbraw/zinc/00/24/99/1359002499.db2.gz IZIFATPUVXVUOD-PNYFIKQUSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001086186645 1359020411 /nfs/dbraw/zinc/02/04/11/1359020411.db2.gz IWOHHYFETQHJBS-HLNWXESRSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@@H]1C[N@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001183991572 1387379098 /nfs/dbraw/zinc/37/90/98/1387379098.db2.gz LMFSKEWAADVTFZ-QFUCXCTJSA-N 2 0 330.516 3.237 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC001086759200 1359196165 /nfs/dbraw/zinc/19/61/65/1359196165.db2.gz SWCBINKPZFPHMO-PKOBYXMFSA-N 2 0 348.450 3.023 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946552 1359267475 /nfs/dbraw/zinc/26/74/75/1359267475.db2.gz CFXSAVZQUMPKGZ-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184135317 1387399048 /nfs/dbraw/zinc/39/90/48/1387399048.db2.gz NMEUGJAKFXQQOE-XJKSGUPXSA-N 2 0 337.305 3.312 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087523354 1359509580 /nfs/dbraw/zinc/50/95/80/1359509580.db2.gz TUFCRKFZQCONCL-OTWHNJEPSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CCCCC1 ZINC001087570033 1359536322 /nfs/dbraw/zinc/53/63/22/1359536322.db2.gz XZCLWCVLVQOOIU-XUVXKRRUSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087577919 1359539040 /nfs/dbraw/zinc/53/90/40/1359539040.db2.gz PZAYUNAYOKXYSZ-RSPOEFSDSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCC(C)(C)C ZINC001087660222 1359576141 /nfs/dbraw/zinc/57/61/41/1359576141.db2.gz ZSOPNBSNNGQECC-ZWKOTPCHSA-N 2 0 342.487 3.353 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1=CCCCC1 ZINC001087749892 1359626472 /nfs/dbraw/zinc/62/64/72/1359626472.db2.gz GGEMDUIKQSEDBU-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791097 1359647644 /nfs/dbraw/zinc/64/76/44/1359647644.db2.gz VUKUGKVMSSQAOW-FFZOFVMBSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCC1CCCCC1 ZINC001087799339 1359651124 /nfs/dbraw/zinc/65/11/24/1359651124.db2.gz PCSRMYLNDXYULN-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CC=C(C)C ZINC001087839887 1359674231 /nfs/dbraw/zinc/67/42/31/1359674231.db2.gz YTGLXGJVQZWYBI-VQTJNVASSA-N 2 0 343.515 3.297 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087841021 1359675570 /nfs/dbraw/zinc/67/55/70/1359675570.db2.gz ZITPKBBRZOWNEV-OTWHNJEPSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088212831 1359797387 /nfs/dbraw/zinc/79/73/87/1359797387.db2.gz SUCJRQOCIRVBBD-QYZOEREBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001088367994 1359852251 /nfs/dbraw/zinc/85/22/51/1359852251.db2.gz YVDCXHTYGOTJOU-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001088382511 1359865427 /nfs/dbraw/zinc/86/54/27/1359865427.db2.gz CZCYEDDPZWLWNY-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001088430905 1359898213 /nfs/dbraw/zinc/89/82/13/1359898213.db2.gz BGZIMDAXMLOBJA-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001088431437 1359898731 /nfs/dbraw/zinc/89/87/31/1359898731.db2.gz VQYDHZJTNRHKHL-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431366 1359898772 /nfs/dbraw/zinc/89/87/72/1359898772.db2.gz RMPBDDAJFRUWMP-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C)cs1 ZINC001088563229 1359973710 /nfs/dbraw/zinc/97/37/10/1359973710.db2.gz ISNGSRWPAIUVRH-BPQIPLTHSA-N 2 0 349.544 3.008 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897752 1360096917 /nfs/dbraw/zinc/09/69/17/1360096917.db2.gz VYIWWBTXXJOWGK-AOIWGVFYSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088898367 1360097106 /nfs/dbraw/zinc/09/71/06/1360097106.db2.gz BTWTZXKJTIPSAN-NZSAHSFTSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897645 1360097294 /nfs/dbraw/zinc/09/72/94/1360097294.db2.gz RKTKNCOQGWAJPY-AOIWGVFYSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001089061023 1360152978 /nfs/dbraw/zinc/15/29/78/1360152978.db2.gz UCODOVHVQRRTSW-HOJAQTOUSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001089192082 1360240908 /nfs/dbraw/zinc/24/09/08/1360240908.db2.gz OWMYZNLLGLFEHF-YSIASYRMSA-N 2 0 345.531 3.401 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089240210 1360277108 /nfs/dbraw/zinc/27/71/08/1360277108.db2.gz HIXNWSIWGKBDGR-IBGZPJMESA-N 2 0 331.504 3.083 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001089252025 1360283670 /nfs/dbraw/zinc/28/36/70/1360283670.db2.gz IYRRBIXNGWLWDI-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333635 1360347178 /nfs/dbraw/zinc/34/71/78/1360347178.db2.gz BMDNQPFJSGRHMR-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509935 1360481497 /nfs/dbraw/zinc/48/14/97/1360481497.db2.gz KUYVXWOCLRSUSE-IBGZPJMESA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562330 1360509806 /nfs/dbraw/zinc/50/98/06/1360509806.db2.gz BTLDIJFCAKHCPJ-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089639165 1360552545 /nfs/dbraw/zinc/55/25/45/1360552545.db2.gz OYBQBFNEIOGXBW-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089639390 1360553442 /nfs/dbraw/zinc/55/34/42/1360553442.db2.gz VJEVAXRSFQZVNK-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089646028 1360557801 /nfs/dbraw/zinc/55/78/01/1360557801.db2.gz HBWKCTLCCXFHSI-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089665113 1360575725 /nfs/dbraw/zinc/57/57/25/1360575725.db2.gz UNMTWXQKGVFMKV-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091059263 1360987595 /nfs/dbraw/zinc/98/75/95/1360987595.db2.gz JXHZHDBFMZLBQL-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C2)CCCCC1 ZINC001184584704 1387497760 /nfs/dbraw/zinc/49/77/60/1387497760.db2.gz GZELUJGHKAJKBV-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737894 1361201779 /nfs/dbraw/zinc/20/17/79/1361201779.db2.gz QMLDYMZYSZORCE-DYXWJJEUSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092602602 1361419931 /nfs/dbraw/zinc/41/99/31/1361419931.db2.gz HDGFEMSYUSTGBH-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001184702418 1387514714 /nfs/dbraw/zinc/51/47/14/1387514714.db2.gz YATIRRLDEUUBKC-WBVHZDCISA-N 2 0 342.487 3.131 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433979 1361800379 /nfs/dbraw/zinc/80/03/79/1361800379.db2.gz LZBDQKJHCJXZQR-QKNQBKEWSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528967 1361845778 /nfs/dbraw/zinc/84/57/78/1361845778.db2.gz DPSJFZUNALZYGJ-NLWGTHIKSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184823086 1387545117 /nfs/dbraw/zinc/54/51/17/1387545117.db2.gz XIVHLLYCOVDMHA-SJORKVTESA-N 2 0 342.487 3.212 20 0 EGADRP C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001184892848 1387556686 /nfs/dbraw/zinc/55/66/86/1387556686.db2.gz RZKXVOCFILPSCL-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)C1 ZINC001096022474 1362338047 /nfs/dbraw/zinc/33/80/47/1362338047.db2.gz SOWPQPMOTLCRTA-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185052641 1387600205 /nfs/dbraw/zinc/60/02/05/1387600205.db2.gz OSMUYXUNMCDRLB-DLBZAZTESA-N 2 0 349.519 3.075 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185053594 1387600374 /nfs/dbraw/zinc/60/03/74/1387600374.db2.gz UPZVQGGWJMXRBU-YMHTTXFNSA-N 2 0 349.563 3.149 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974216 1363185442 /nfs/dbraw/zinc/18/54/42/1363185442.db2.gz BXTQHCJNASLONP-ZRNYENFQSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097976143 1363185989 /nfs/dbraw/zinc/18/59/89/1363185989.db2.gz WEGOPYAWIJWVHY-AKHDSKFASA-N 2 0 335.536 3.017 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001098191513 1363250369 /nfs/dbraw/zinc/25/03/69/1363250369.db2.gz IXKDOTGZHLNMLU-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001098461815 1363332321 /nfs/dbraw/zinc/33/23/21/1363332321.db2.gz QIGCYZZDXIYFSG-ZRNYENFQSA-N 2 0 345.531 3.083 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001098835457 1363487318 /nfs/dbraw/zinc/48/73/18/1363487318.db2.gz UZWCXKABUVXFLA-WFXMLNOXSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001098835456 1363487606 /nfs/dbraw/zinc/48/76/06/1363487606.db2.gz UZWCXKABUVXFLA-UEXGIBASSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCC(C)(C)C)C3)CC[N@@H+]1C ZINC001098846643 1363490010 /nfs/dbraw/zinc/49/00/10/1363490010.db2.gz PCJFUMQPXCWSFE-UGNRZPKXSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976533 1363551851 /nfs/dbraw/zinc/55/18/51/1363551851.db2.gz UZCGEMNRBOSTEE-DFOOCIKTSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC=C(C)C)C3)C1 ZINC001098990931 1363560273 /nfs/dbraw/zinc/56/02/73/1363560273.db2.gz JZENEFJJORLIPG-DYXWJJEUSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101204 1363622451 /nfs/dbraw/zinc/62/24/51/1363622451.db2.gz NGRSRIGNYQHFCM-FPOVZHCZSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099116945 1363633379 /nfs/dbraw/zinc/63/33/79/1363633379.db2.gz XXLYCSXZVJDJMQ-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC[C@@H](C)F ZINC001099131298 1363643564 /nfs/dbraw/zinc/64/35/64/1363643564.db2.gz ZQECGRMTMQCZGV-CVEARBPZSA-N 2 0 343.531 3.072 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001099171832 1363670246 /nfs/dbraw/zinc/67/02/46/1363670246.db2.gz UZCGEMNRBOSTEE-PLQXZHKYSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)CC1 ZINC001099194192 1363685139 /nfs/dbraw/zinc/68/51/39/1363685139.db2.gz LKSGDZJTHMJLCE-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CCCC1 ZINC001099213680 1363694982 /nfs/dbraw/zinc/69/49/82/1363694982.db2.gz FWIMVDCVWLCFSX-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099241315 1363709963 /nfs/dbraw/zinc/70/99/63/1363709963.db2.gz YLXIFUPEWFRFHQ-UIVAWZFMSA-N 2 0 337.552 3.290 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)CC1 ZINC001099258924 1363720403 /nfs/dbraw/zinc/72/04/03/1363720403.db2.gz VXVKBYWOADSLIU-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001099269579 1363724693 /nfs/dbraw/zinc/72/46/93/1363724693.db2.gz AURXWPUEFQUUMQ-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099296432 1363736707 /nfs/dbraw/zinc/73/67/07/1363736707.db2.gz AVUKFKXJZPUVQF-GIFJBRJJSA-N 2 0 337.552 3.291 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cncn1C ZINC001099324515 1363751318 /nfs/dbraw/zinc/75/13/18/1363751318.db2.gz NKXCXBHJKRRSJW-FUHWJXTLSA-N 2 0 348.535 3.006 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319327 1364079069 /nfs/dbraw/zinc/07/90/69/1364079069.db2.gz HRKCZMNRRDNQEE-RFEKHPBVSA-N 2 0 335.536 3.090 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001100374472 1364095812 /nfs/dbraw/zinc/09/58/12/1364095812.db2.gz MJWJLLDXLGHRMJ-AATRIKPKSA-N 2 0 349.544 3.264 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100418615 1364108533 /nfs/dbraw/zinc/10/85/33/1364108533.db2.gz CAMCQXKLKYOMOC-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CCCC(C)C)C2)C1 ZINC001100599137 1364182999 /nfs/dbraw/zinc/18/29/99/1364182999.db2.gz KYLFNSGKQVWQHP-XBMUEBEBSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599444 1364183598 /nfs/dbraw/zinc/18/35/98/1364183598.db2.gz WQWFTQUAUSFKET-IVSRKEGNSA-N 2 0 349.563 3.339 20 0 EGADRP CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100601968 1364184503 /nfs/dbraw/zinc/18/45/03/1364184503.db2.gz MJBIGZIUTHNGEZ-FAFZWHIHSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)[NH+](CC)CC ZINC001100669065 1364211205 /nfs/dbraw/zinc/21/12/05/1364211205.db2.gz MZSQWRLSMUVKLW-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001100669039 1364211374 /nfs/dbraw/zinc/21/13/74/1364211374.db2.gz LWWFDEWLFIAWCW-JCYILVPMSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100731795 1364239171 /nfs/dbraw/zinc/23/91/71/1364239171.db2.gz GNELAIHVHHCXRQ-VIQWUECVSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]Cc2ccccc2C(C)C)C1 ZINC001100770911 1364253572 /nfs/dbraw/zinc/25/35/72/1364253572.db2.gz PTWKVIJJNXFTHH-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848213 1364289949 /nfs/dbraw/zinc/28/99/49/1364289949.db2.gz CDMKWFWMPJBITQ-TYOHAJEMSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001100856943 1364294958 /nfs/dbraw/zinc/29/49/58/1364294958.db2.gz ZFFHOWDBUYJUIA-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185293259 1387671988 /nfs/dbraw/zinc/67/19/88/1387671988.db2.gz BGGJNYGCIASYTQ-FXAWDEMLSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001100887672 1364312999 /nfs/dbraw/zinc/31/29/99/1364312999.db2.gz MUOYMUCXIBUCPP-MDCZIUGASA-N 2 0 349.494 3.103 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001100898637 1364320676 /nfs/dbraw/zinc/32/06/76/1364320676.db2.gz SFBVDKHCDVRXMO-VIQWUECVSA-N 2 0 345.531 3.272 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033223 1364382491 /nfs/dbraw/zinc/38/24/91/1364382491.db2.gz IKVRELQSPWMJNU-PLNGDYQASA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101037513 1364383989 /nfs/dbraw/zinc/38/39/89/1364383989.db2.gz POESFCFQHSFDRT-ACBHZAAOSA-N 2 0 337.552 3.027 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101361983 1364527773 /nfs/dbraw/zinc/52/77/73/1364527773.db2.gz NLSYDCUKOBRKEN-HBFSDRIKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC3CCC3)C[C@@]2(C)C1 ZINC001101395682 1364544103 /nfs/dbraw/zinc/54/41/03/1364544103.db2.gz IUOKRTZMPSXNHX-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464457 1364573038 /nfs/dbraw/zinc/57/30/38/1364573038.db2.gz JNGLLPAHFFQSLR-ZVDOUQERSA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001101552761 1364615104 /nfs/dbraw/zinc/61/51/04/1364615104.db2.gz ONQSLOPWAVZCRG-UHFFFAOYSA-N 2 0 342.487 3.131 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001101575964 1364629895 /nfs/dbraw/zinc/62/98/95/1364629895.db2.gz OTSLEDDQMSVHGM-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185361125 1387691669 /nfs/dbraw/zinc/69/16/69/1387691669.db2.gz UXAZSGDJTVSDSK-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102104163 1364858807 /nfs/dbraw/zinc/85/88/07/1364858807.db2.gz IOZVRIJDOISCLE-RCCFBDPRSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102190998 1364924634 /nfs/dbraw/zinc/92/46/34/1364924634.db2.gz LOXIPSIFCCMIDI-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102475419 1365076195 /nfs/dbraw/zinc/07/61/95/1365076195.db2.gz NQDZSWJQAIZCMQ-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781783 1365215837 /nfs/dbraw/zinc/21/58/37/1365215837.db2.gz BRBBAUQPFGRSRN-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102783181 1365216487 /nfs/dbraw/zinc/21/64/87/1365216487.db2.gz YJJMXEHQKIWKQQ-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977219 1365324391 /nfs/dbraw/zinc/32/43/91/1365324391.db2.gz RCBFISHVFKZJTK-VJQBDMSCSA-N 2 0 349.563 3.290 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987822 1365328524 /nfs/dbraw/zinc/32/85/24/1365328524.db2.gz RPWBBQUFNJWOBD-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090326 1365375974 /nfs/dbraw/zinc/37/59/74/1365375974.db2.gz RKOMXIXQOKIEQQ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232240 1365446951 /nfs/dbraw/zinc/44/69/51/1365446951.db2.gz CRSHVZAIIXMMOM-BRWVUGGUSA-N 2 0 342.487 3.068 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)c1 ZINC001103398285 1365535755 /nfs/dbraw/zinc/53/57/55/1365535755.db2.gz LKUFAGVMNRJXII-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001103407626 1365542481 /nfs/dbraw/zinc/54/24/81/1365542481.db2.gz MHQGBOJJNAFJMX-KZNAEPCWSA-N 2 0 339.568 3.083 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)cc1 ZINC001185609795 1387760196 /nfs/dbraw/zinc/76/01/96/1387760196.db2.gz PDMPOGXHKWVYDA-WOJBJXKFSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001185610326 1387760271 /nfs/dbraw/zinc/76/02/71/1387760271.db2.gz UKOOROGVEBECLO-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103656154 1365706147 /nfs/dbraw/zinc/70/61/47/1365706147.db2.gz WDNWKNLMDUIKFW-IEBWSBKVSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+](CC)CC ZINC001185610116 1387760413 /nfs/dbraw/zinc/76/04/13/1387760413.db2.gz RHCPLZJBIWZKHD-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)CC1 ZINC001324761557 1387762174 /nfs/dbraw/zinc/76/21/74/1387762174.db2.gz WMPAVQJGCMKBFY-FQEVSTJZSA-N 2 0 339.483 3.194 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001104000108 1365867962 /nfs/dbraw/zinc/86/79/62/1365867962.db2.gz VTUSOBIANAZZMU-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104215080 1365954880 /nfs/dbraw/zinc/95/48/80/1365954880.db2.gz LQIBHWPRKBBCAR-OGEVPIHTSA-N 2 0 349.563 3.147 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290813 1365977784 /nfs/dbraw/zinc/97/77/84/1365977784.db2.gz FBOHWVLVBRGLCX-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104362683 1365988225 /nfs/dbraw/zinc/98/82/25/1365988225.db2.gz DHSFRPOTFYWTAE-IEBWSBKVSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185708557 1387783282 /nfs/dbraw/zinc/78/32/82/1387783282.db2.gz BKJAPYJQWCMQSW-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001104625261 1366106736 /nfs/dbraw/zinc/10/67/36/1366106736.db2.gz CAQYUKIUWRFCFO-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001104690287 1366131895 /nfs/dbraw/zinc/13/18/95/1366131895.db2.gz CILULALXIKQRPM-RLLQIKCJSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185749206 1387788875 /nfs/dbraw/zinc/78/88/75/1387788875.db2.gz AUMUSWUIDHYIRJ-ZWKOTPCHSA-N 2 0 345.531 3.236 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1)C(C)C ZINC001104804014 1366180142 /nfs/dbraw/zinc/18/01/42/1366180142.db2.gz HTCPRMVBMFBAKJ-GUDVDZBRSA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067403 1366304768 /nfs/dbraw/zinc/30/47/68/1366304768.db2.gz ZEYQHSOLNCSCBW-VAMGGRTRSA-N 2 0 349.563 3.147 20 0 EGADRP Cc1cccc(C[NH+]2CCC(C)(CNC(=O)CCC[NH+](C)C)CC2)c1 ZINC001324880872 1387803465 /nfs/dbraw/zinc/80/34/65/1387803465.db2.gz QMFRAOBUMGWUSI-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1)[NH+](CC)CC ZINC001105396894 1366445947 /nfs/dbraw/zinc/44/59/47/1366445947.db2.gz YLIROPUBWAZLSP-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541454 1366520296 /nfs/dbraw/zinc/52/02/96/1366520296.db2.gz ALUZOKONXKWIPC-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC=C(C)C)CCC1)[NH+](C)C ZINC001105544600 1366521792 /nfs/dbraw/zinc/52/17/92/1366521792.db2.gz ODSPOZGYBNFBAP-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105558658 1366530165 /nfs/dbraw/zinc/53/01/65/1366530165.db2.gz COLLUNRQVCYIOT-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001105568803 1366536749 /nfs/dbraw/zinc/53/67/49/1366536749.db2.gz ZOXLKHFEPFDPOD-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105574967 1366539871 /nfs/dbraw/zinc/53/98/71/1366539871.db2.gz NVXGQGLMMGVKFI-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579745 1366543077 /nfs/dbraw/zinc/54/30/77/1366543077.db2.gz UNPLEYBQFDGZDQ-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106271623 1366640152 /nfs/dbraw/zinc/64/01/52/1366640152.db2.gz IYICACSECOOCSE-VJQBDMSCSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001106349235 1366664150 /nfs/dbraw/zinc/66/41/50/1366664150.db2.gz FOQLBZRHRKWDAE-QZTJIDSGSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106665375 1366768583 /nfs/dbraw/zinc/76/85/83/1366768583.db2.gz UMBJRAVLAYWCFT-WSTZPKSXSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106900238 1366827974 /nfs/dbraw/zinc/82/79/74/1366827974.db2.gz TUNBGTUTVMFVBF-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1CCC(C)(C)CC1 ZINC001185976179 1387839385 /nfs/dbraw/zinc/83/93/85/1387839385.db2.gz SVNMOKRCRASIIA-UHFFFAOYSA-N 2 0 339.568 3.325 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436520 1366963135 /nfs/dbraw/zinc/96/31/35/1366963135.db2.gz BFROQUJXUDYBFX-WYTZPYIFSA-N 2 0 347.547 3.188 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454543 1367025966 /nfs/dbraw/zinc/02/59/66/1367025966.db2.gz VPCSXMYEGQRDSY-NPXLJKKNSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546504 1367037115 /nfs/dbraw/zinc/03/71/15/1367037115.db2.gz FROOHKIHGBPHGU-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)C(C)C ZINC001107582235 1367057367 /nfs/dbraw/zinc/05/73/67/1367057367.db2.gz YRAHZHWOHKHSTG-SVFBPWRDSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)C1CC1 ZINC001109402688 1367105368 /nfs/dbraw/zinc/10/53/68/1367105368.db2.gz YMRNQJPNBNFURG-FYQPLNBISA-N 2 0 347.547 3.019 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)C1CC1 ZINC001109405009 1367106079 /nfs/dbraw/zinc/10/60/79/1367106079.db2.gz WKZDBIJZYZXJJJ-FYQPLNBISA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190175394 1367191441 /nfs/dbraw/zinc/19/14/41/1367191441.db2.gz JTZCFWZSRUKGIR-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351388 1367235688 /nfs/dbraw/zinc/23/56/88/1367235688.db2.gz XEWQODHEFZSWCY-XUVXKRRUSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001186082210 1387862309 /nfs/dbraw/zinc/86/23/09/1387862309.db2.gz FMUFRAMYZYVGTH-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001109674443 1367275447 /nfs/dbraw/zinc/27/54/47/1367275447.db2.gz JMBJHUKVLDDENE-HNJRGHQBSA-N 2 0 343.515 3.038 20 0 EGADRP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001190492443 1367276441 /nfs/dbraw/zinc/27/64/41/1367276441.db2.gz CHWNMAXVWRDNKP-FQEVSTJZSA-N 2 0 345.531 3.400 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190491400 1367276679 /nfs/dbraw/zinc/27/66/79/1367276679.db2.gz GWBSQWRHIVGXBR-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714289 1367290495 /nfs/dbraw/zinc/29/04/95/1367290495.db2.gz FPUSKJCIOCCAGH-XWSJACJDSA-N 2 0 337.552 3.409 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719941 1367291909 /nfs/dbraw/zinc/29/19/09/1367291909.db2.gz SEQUMPWVIFARFY-CXLYAGSJSA-N 2 0 347.547 3.186 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190891205 1367376128 /nfs/dbraw/zinc/37/61/28/1367376128.db2.gz ZSUMJMOEJBOURU-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001190996228 1367397358 /nfs/dbraw/zinc/39/73/58/1367397358.db2.gz BBCCYYMUFMQUPH-PKOBYXMFSA-N 2 0 345.531 3.319 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001191082361 1367420244 /nfs/dbraw/zinc/42/02/44/1367420244.db2.gz XITPIBMJZGXLPK-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163704 1367436699 /nfs/dbraw/zinc/43/66/99/1367436699.db2.gz ZTLKNTWYJGEQPK-WMZOPIPTSA-N 2 0 342.487 3.163 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007011 1367455370 /nfs/dbraw/zinc/45/53/70/1367455370.db2.gz DJVGFYGJDCXQEU-RDGPPVDQSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110111655 1367507198 /nfs/dbraw/zinc/50/71/98/1367507198.db2.gz PNCXKFJTHGAVLQ-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148106 1367526040 /nfs/dbraw/zinc/52/60/40/1367526040.db2.gz JJYBUVXKALAORA-SQNIBIBYSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550756 1367526425 /nfs/dbraw/zinc/52/64/25/1367526425.db2.gz GRTJUPDEEKUPLS-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108687666 1367533299 /nfs/dbraw/zinc/53/32/99/1367533299.db2.gz HPYZGWFAGHDXDY-OTWHNJEPSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717886 1367554500 /nfs/dbraw/zinc/55/45/00/1367554500.db2.gz XSRFBKUSWAMMJV-BZSNNMDCSA-N 2 0 337.552 3.122 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001108720799 1367556545 /nfs/dbraw/zinc/55/65/45/1367556545.db2.gz RWEUSUHGUUQYBM-JQHSSLGASA-N 2 0 340.471 3.107 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001108754912 1367575891 /nfs/dbraw/zinc/57/58/91/1367575891.db2.gz QJIYVLRKWJVCKX-HYGDWFSYSA-N 2 0 347.547 3.044 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764832 1367580706 /nfs/dbraw/zinc/58/07/06/1367580706.db2.gz YATLUTMOMNFADF-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828429 1367624103 /nfs/dbraw/zinc/62/41/03/1367624103.db2.gz OVLCPRKQCIYVGC-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1)[NH+](CC)CC ZINC001192323045 1367750640 /nfs/dbraw/zinc/75/06/40/1367750640.db2.gz AAIXQHKJDSCAAC-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)[NH+](CC)CC ZINC001192325590 1367752317 /nfs/dbraw/zinc/75/23/17/1367752317.db2.gz MAYWGDZHOKSSAK-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192654270 1367843693 /nfs/dbraw/zinc/84/36/93/1367843693.db2.gz FINFXNLJXTUDNA-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671553 1367846133 /nfs/dbraw/zinc/84/61/33/1367846133.db2.gz MYZMLKGPONDQFU-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192906524 1367900762 /nfs/dbraw/zinc/90/07/62/1367900762.db2.gz MJSFOQUJUFFVNU-IBHIWXBSSA-N 2 0 337.552 3.388 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2=CCCCC2)CCC1 ZINC001110665289 1367906047 /nfs/dbraw/zinc/90/60/47/1367906047.db2.gz QBJIDAVKCDIBCZ-QRVBRYPASA-N 2 0 345.531 3.083 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001192946329 1367909349 /nfs/dbraw/zinc/90/93/49/1367909349.db2.gz AQEXDPBHBKETRX-MOPGFXCFSA-N 2 0 345.531 3.239 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001192968739 1367913143 /nfs/dbraw/zinc/91/31/43/1367913143.db2.gz CCJFFVUFKBHJAH-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001192969547 1367913596 /nfs/dbraw/zinc/91/35/96/1367913596.db2.gz KRQIYYYKPWIREV-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001110693922 1367932032 /nfs/dbraw/zinc/93/20/32/1367932032.db2.gz WIZQCDSOGKMFCY-ZRNYENFQSA-N 2 0 349.563 3.265 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC(C)C ZINC001110738875 1367955089 /nfs/dbraw/zinc/95/50/89/1367955089.db2.gz XWHGTAOSNYKLLI-MLHJIOFPSA-N 2 0 337.552 3.120 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748974 1367958622 /nfs/dbraw/zinc/95/86/22/1367958622.db2.gz ZZZYJWRMSSKJRO-KURKYZTESA-N 2 0 335.536 3.017 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110753937 1367961650 /nfs/dbraw/zinc/96/16/50/1367961650.db2.gz AYYBKZCNQCAEET-AKHDSKFASA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765710 1367967646 /nfs/dbraw/zinc/96/76/46/1367967646.db2.gz MTAWPKJSNTYACR-KSULIHCOSA-N 2 0 345.531 3.083 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C(C)C)C1 ZINC001193279970 1367988470 /nfs/dbraw/zinc/98/84/70/1367988470.db2.gz RXJHSYUXRDAARJ-IBGZPJMESA-N 2 0 345.531 3.185 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383079 1368015861 /nfs/dbraw/zinc/01/58/61/1368015861.db2.gz PJWRLDNEQOMCSH-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001193423826 1368024980 /nfs/dbraw/zinc/02/49/80/1368024980.db2.gz GTUPGBKKOUCCMO-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001193425137 1368026625 /nfs/dbraw/zinc/02/66/25/1368026625.db2.gz TZBXEMVTGUJWQF-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862564 1368041876 /nfs/dbraw/zinc/04/18/76/1368041876.db2.gz WXIUAKOBBGXBGX-TVFCKZIOSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001193569398 1368063270 /nfs/dbraw/zinc/06/32/70/1368063270.db2.gz BMWFHWGKBJOTNU-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001193610022 1368072953 /nfs/dbraw/zinc/07/29/53/1368072953.db2.gz LCIAZLSZPVCOPR-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001193610018 1368073201 /nfs/dbraw/zinc/07/32/01/1368073201.db2.gz LCIAZLSZPVCOPR-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164281 1368174484 /nfs/dbraw/zinc/17/44/84/1368174484.db2.gz RDDVVULRSWWCEH-MUYVORBLSA-N 2 0 349.563 3.431 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194079319 1368179400 /nfs/dbraw/zinc/17/94/00/1368179400.db2.gz BHGZQZQEWLLCDF-SFHVURJKSA-N 2 0 349.544 3.047 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217066 1368196082 /nfs/dbraw/zinc/19/60/82/1368196082.db2.gz DQMSGNJQFUMFJZ-AQNXPRMDSA-N 2 0 349.563 3.265 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429849 1368259719 /nfs/dbraw/zinc/25/97/19/1368259719.db2.gz NZCJDBANDXNITJ-IBGZPJMESA-N 2 0 337.552 3.366 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001111305475 1368261492 /nfs/dbraw/zinc/26/14/92/1368261492.db2.gz MWNLPEJMDSSTRD-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)CC1 ZINC001111307709 1368262237 /nfs/dbraw/zinc/26/22/37/1368262237.db2.gz SIVZNOVIJNTTFD-WKXIVMOISA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001111325432 1368266984 /nfs/dbraw/zinc/26/69/84/1368266984.db2.gz CXEZRNOFDFVQTD-WIRSXHRWSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001111462450 1368311870 /nfs/dbraw/zinc/31/18/70/1368311870.db2.gz XXMCUMNRTJBGET-YSTOQKLRSA-N 2 0 347.547 3.019 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001186404631 1387934342 /nfs/dbraw/zinc/93/43/42/1387934342.db2.gz NORLYCAGBSXWQQ-GOSISDBHSA-N 2 0 325.541 3.269 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001186420608 1387939126 /nfs/dbraw/zinc/93/91/26/1387939126.db2.gz PLEUTDUKIZIBHY-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111779002 1368457489 /nfs/dbraw/zinc/45/74/89/1368457489.db2.gz SIIPPLRHWFJBJM-WFXMLNOXSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851573 1368505634 /nfs/dbraw/zinc/50/56/34/1368505634.db2.gz FIPMDARPOXPHEI-IWFBPKFRSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC001195902762 1368513664 /nfs/dbraw/zinc/51/36/64/1368513664.db2.gz OPXRZOOMPMMTBS-FCHUYYIVSA-N 2 0 343.559 3.498 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001111910310 1368551511 /nfs/dbraw/zinc/55/15/11/1368551511.db2.gz SYSYGCTVRGYLLK-LMNJBCLMSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)c1ccccc1)C2 ZINC001111925782 1368563580 /nfs/dbraw/zinc/56/35/80/1368563580.db2.gz JYULRVVEHYNUIJ-LMNJBCLMSA-N 2 0 343.515 3.060 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111939584 1368567356 /nfs/dbraw/zinc/56/73/56/1368567356.db2.gz IKNHLQYFNIISTB-DGICPSGQSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCN([C@@H](C)c2ccccc2F)CC1 ZINC001196341114 1368592998 /nfs/dbraw/zinc/59/29/98/1368592998.db2.gz NBZMIPUECYKJEN-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC001196935384 1368716045 /nfs/dbraw/zinc/71/60/45/1368716045.db2.gz HNRCKKNBMQITQO-SFTDATJTSA-N 2 0 348.506 3.316 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001196943818 1368717781 /nfs/dbraw/zinc/71/77/81/1368717781.db2.gz SVQDQQNLUYGOLP-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963761 1368722003 /nfs/dbraw/zinc/72/20/03/1368722003.db2.gz YSWBGGOFZWJHJL-LJQANCHMSA-N 2 0 349.494 3.153 20 0 EGADRP CCCc1ccc(C[N@@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001196970504 1368723658 /nfs/dbraw/zinc/72/36/58/1368723658.db2.gz INRNSBLGCJOYMM-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCC(C)(C)C)C2)CCC1 ZINC001112397288 1368822542 /nfs/dbraw/zinc/82/25/42/1368822542.db2.gz ZZMAUNCCFNRIMC-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001197768454 1368893004 /nfs/dbraw/zinc/89/30/04/1368893004.db2.gz NRXWDUKHSJWQQQ-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001197795545 1368899411 /nfs/dbraw/zinc/89/94/11/1368899411.db2.gz XOUWVRZTNQHHEB-GOSISDBHSA-N 2 0 343.531 3.171 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197880338 1368918754 /nfs/dbraw/zinc/91/87/54/1368918754.db2.gz XILTXBFPTZGYAT-QGZVFWFLSA-N 2 0 349.494 3.153 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001198136248 1368966451 /nfs/dbraw/zinc/96/64/51/1368966451.db2.gz LVKKKAAWAPJMCN-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001198260079 1368991510 /nfs/dbraw/zinc/99/15/10/1368991510.db2.gz WWFMHXMFEYSIPV-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001200335040 1369350443 /nfs/dbraw/zinc/35/04/43/1369350443.db2.gz XMECXZHVMHMFLN-IEBWSBKVSA-N 2 0 336.545 3.433 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001201182634 1369491769 /nfs/dbraw/zinc/49/17/69/1369491769.db2.gz LQTBBYYMVQPRLA-LJQANCHMSA-N 2 0 348.535 3.487 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001201230947 1369500997 /nfs/dbraw/zinc/50/09/97/1369500997.db2.gz YOCGFJQDKZQBQN-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](CC1CCCCC1)CC2 ZINC001201393448 1369535055 /nfs/dbraw/zinc/53/50/55/1369535055.db2.gz JTRLOLIPHABZKO-UHFFFAOYSA-N 2 0 330.520 3.307 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400624 1369536711 /nfs/dbraw/zinc/53/67/11/1369536711.db2.gz TYUCRXPWGZXZPM-PXDRNWIDSA-N 2 0 349.563 3.434 20 0 EGADRP COc1cc(C)cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001201601526 1369587304 /nfs/dbraw/zinc/58/73/04/1369587304.db2.gz XOANEOSALDQUDZ-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP COc1ccc(Cl)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201659226 1369597946 /nfs/dbraw/zinc/59/79/46/1369597946.db2.gz RYYPBQOYNVWMQM-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc4sncc4c3)cc[nH+]2)CC1 ZINC001201667045 1369601205 /nfs/dbraw/zinc/60/12/05/1369601205.db2.gz LFYGCZRUPYRUDR-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(C(=O)C4CC4)cc3)cc[nH+]2)CC1 ZINC001201673556 1369603768 /nfs/dbraw/zinc/60/37/68/1369603768.db2.gz WKDJQZZPSMUDCU-UHFFFAOYSA-N 2 0 336.439 3.170 20 0 EGADRP FC(F)Oc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(OC(F)F)c1 ZINC001325627055 1388015121 /nfs/dbraw/zinc/01/51/21/1388015121.db2.gz SPRXZMPRDRMIAG-ZDUSSCGKSA-N 2 0 348.340 3.121 20 0 EGADRP CC(C)(C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001201942111 1369648989 /nfs/dbraw/zinc/64/89/89/1369648989.db2.gz ZGYYKEATCZAKQS-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC001201954880 1369652205 /nfs/dbraw/zinc/65/22/05/1369652205.db2.gz WPPWPRXRXYMBGU-JOCHJYFZSA-N 2 0 338.495 3.468 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001202144873 1369700615 /nfs/dbraw/zinc/70/06/15/1369700615.db2.gz MKCGPYJJMBHEER-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001202224871 1369717665 /nfs/dbraw/zinc/71/76/65/1369717665.db2.gz KEZPJJIPUQWGFV-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1)[NH+](CC)CC ZINC001202474250 1369783041 /nfs/dbraw/zinc/78/30/41/1369783041.db2.gz YHCRKZUKNNBUQQ-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CCCC(C)C)CC1)[NH+](CC)CC ZINC001202473994 1369783085 /nfs/dbraw/zinc/78/30/85/1369783085.db2.gz SGIZAFAIZORPPY-GOSISDBHSA-N 2 0 325.541 3.124 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202473102 1369783138 /nfs/dbraw/zinc/78/31/38/1369783138.db2.gz FVXMWRLKZJLVEY-OEIFXAAASA-N 2 0 337.552 3.434 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930202 1369929003 /nfs/dbraw/zinc/92/90/03/1369929003.db2.gz RWUDHDHIQKBPPP-MSOLQXFVSA-N 2 0 349.563 3.458 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001202973152 1369942770 /nfs/dbraw/zinc/94/27/70/1369942770.db2.gz BOEPURWJAKVJBH-VURMDHGXSA-N 2 0 337.552 3.435 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001202990918 1369947709 /nfs/dbraw/zinc/94/77/09/1369947709.db2.gz FVPOQXZRDLUDJU-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC001203010854 1369953714 /nfs/dbraw/zinc/95/37/14/1369953714.db2.gz XPMGMJRYWVIVGX-SFHVURJKSA-N 2 0 345.531 3.287 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203101738 1369983228 /nfs/dbraw/zinc/98/32/28/1369983228.db2.gz GBJBHHNVVPUTRF-IAGOWNOFSA-N 2 0 337.552 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203101741 1369983440 /nfs/dbraw/zinc/98/34/40/1369983440.db2.gz GBJBHHNVVPUTRF-IRXDYDNUSA-N 2 0 337.552 3.170 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203102227 1369983445 /nfs/dbraw/zinc/98/34/45/1369983445.db2.gz HAJLWTXWEMGGPH-LJFOUZCWSA-N 2 0 335.536 3.090 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203102241 1369983562 /nfs/dbraw/zinc/98/35/62/1369983562.db2.gz HDSVVNXOWCIJEP-HZPDHXFCSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203105014 1369984899 /nfs/dbraw/zinc/98/48/99/1369984899.db2.gz VIFJWKNBQWWYLM-DLBZAZTESA-N 2 0 335.536 3.065 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115971 1369988022 /nfs/dbraw/zinc/98/80/22/1369988022.db2.gz WJMJONTURGQOAY-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC001325755730 1388041668 /nfs/dbraw/zinc/04/16/68/1388041668.db2.gz GUGWNLORBAKEBO-WBMJQRKESA-N 2 0 325.294 3.358 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623691 1369998719 /nfs/dbraw/zinc/99/87/19/1369998719.db2.gz CWLCJMPEEUMZDX-KXTWHKPSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001325760700 1388042160 /nfs/dbraw/zinc/04/21/60/1388042160.db2.gz GORAECDMMZXINU-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP COc1ccccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001203424905 1370119972 /nfs/dbraw/zinc/11/99/72/1370119972.db2.gz BYOREXZQCIUGKK-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428242 1370121696 /nfs/dbraw/zinc/12/16/96/1370121696.db2.gz XFJXBUVXXACDHY-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001203442412 1370128720 /nfs/dbraw/zinc/12/87/20/1370128720.db2.gz KIDCUYWHHGSGDC-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001114920831 1370149302 /nfs/dbraw/zinc/14/93/02/1370149302.db2.gz BKOINKFZDNGZGT-YRXWBPOGSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632520 1370194469 /nfs/dbraw/zinc/19/44/69/1370194469.db2.gz UBRDBDKUDAAVAE-WIJVFFIESA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203652693 1370203066 /nfs/dbraw/zinc/20/30/66/1370203066.db2.gz WPPHHLDQTJEFIV-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203852780 1370288792 /nfs/dbraw/zinc/28/87/92/1370288792.db2.gz DRSYUFMVZUVONN-IAGOWNOFSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001204267378 1370427098 /nfs/dbraw/zinc/42/70/98/1370427098.db2.gz RMHQHZLNLMJWSX-AZUAARDMSA-N 2 0 332.488 3.018 20 0 EGADRP CC(C)OC1CC[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204269204 1370427997 /nfs/dbraw/zinc/42/79/97/1370427997.db2.gz WOPOYEDZOVDOLY-UHFFFAOYSA-N 2 0 334.504 3.407 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(F)c1C)C2 ZINC001204508868 1370498129 /nfs/dbraw/zinc/49/81/29/1370498129.db2.gz KTOPXWMQFXYEBO-FPOVZHCZSA-N 2 0 346.490 3.314 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)CC[N@@H+]1C ZINC001115543413 1370540680 /nfs/dbraw/zinc/54/06/80/1370540680.db2.gz GVPFVDKQVNZAOG-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP Clc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1cccn1 ZINC001204742355 1370561998 /nfs/dbraw/zinc/56/19/98/1370561998.db2.gz LKDJNNIMKRFAKI-UHFFFAOYSA-N 2 0 344.890 3.491 20 0 EGADRP Oc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC001204742174 1370562060 /nfs/dbraw/zinc/56/20/60/1370562060.db2.gz JGJDOAJORZCVAG-UHFFFAOYSA-N 2 0 328.378 3.377 20 0 EGADRP [NH3+]Cc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001204748721 1370564569 /nfs/dbraw/zinc/56/45/69/1370564569.db2.gz QZGOOKJQXZAUBK-UHFFFAOYSA-N 2 0 349.400 3.486 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115573221 1370576106 /nfs/dbraw/zinc/57/61/06/1370576106.db2.gz NKBWSRRILDQULO-IBGZPJMESA-N 2 0 349.563 3.458 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115574806 1370577914 /nfs/dbraw/zinc/57/79/14/1370577914.db2.gz RFDYRFIMBHZNHG-PLNGDYQASA-N 2 0 335.536 3.236 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1)C1CCC1 ZINC001115574650 1370577994 /nfs/dbraw/zinc/57/79/94/1370577994.db2.gz JARYIFCOKFWCNC-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CCOc1ccc(Br)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205040804 1370636323 /nfs/dbraw/zinc/63/63/23/1370636323.db2.gz INXJKFHFPMWYNW-UHFFFAOYSA-N 2 0 327.266 3.019 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCCCC2)C1 ZINC001115579571 1370583327 /nfs/dbraw/zinc/58/33/27/1370583327.db2.gz UVIICVQGWQYNQM-CTWPCTMYSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579636 1370583842 /nfs/dbraw/zinc/58/38/42/1370583842.db2.gz YFNYRTCQVOJVEY-GOSISDBHSA-N 2 0 337.552 3.460 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582024 1370584406 /nfs/dbraw/zinc/58/44/06/1370584406.db2.gz GWJOBHULMPUFRN-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115608406 1370607096 /nfs/dbraw/zinc/60/70/96/1370607096.db2.gz LFNLFSLRBSYLDZ-UHFFFAOYSA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115611274 1370610224 /nfs/dbraw/zinc/61/02/24/1370610224.db2.gz APMDNVZNJGJJFM-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115611434 1370610417 /nfs/dbraw/zinc/61/04/17/1370610417.db2.gz HZQQJACQXLWRLP-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630705 1370623613 /nfs/dbraw/zinc/62/36/13/1370623613.db2.gz WAATUFLUGCFQSU-MRXNPFEDSA-N 2 0 342.487 3.403 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1)[NH+]1CCCC1 ZINC001115661973 1370646396 /nfs/dbraw/zinc/64/63/96/1370646396.db2.gz XMMUEUAJVDUYKT-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CSC1(C[NH2+]Cc2c(Cl)cccc2N(C)C)CC[NH+](C)CC1 ZINC001325924129 1388086821 /nfs/dbraw/zinc/08/68/21/1388086821.db2.gz LKAUZGAFQUCUOQ-UHFFFAOYSA-N 2 0 341.952 3.323 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115698176 1370679605 /nfs/dbraw/zinc/67/96/05/1370679605.db2.gz SKLBHJZYIQDAST-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP Cc1cccc(C[NH2+]C2(CNC(=O)CCC[NH+](C)C)CCCCC2)c1 ZINC001115698233 1370679935 /nfs/dbraw/zinc/67/99/35/1370679935.db2.gz WCYXCQFWIKGAIV-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2cncc(C[NH+]3CCCC3)c2)cn1 ZINC001205249700 1370695465 /nfs/dbraw/zinc/69/54/65/1370695465.db2.gz XQDSJSRNKQJWPY-UHFFFAOYSA-N 2 0 340.471 3.070 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc3ncc(Br)cc3c2)C[C@@H]1C[NH3+] ZINC001205317682 1370719855 /nfs/dbraw/zinc/71/98/55/1370719855.db2.gz PLKWYUNQFHUGAO-WFASDCNBSA-N 2 0 348.288 3.414 20 0 EGADRP c1c(C[NH+]2CCC(Oc3ccccc3)CC2)sc2c1CC[NH2+]C2 ZINC001205339755 1370725755 /nfs/dbraw/zinc/72/57/55/1370725755.db2.gz MACAOHOOKXIYBP-UHFFFAOYSA-N 2 0 328.481 3.437 20 0 EGADRP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001187302996 1388091201 /nfs/dbraw/zinc/09/12/01/1388091201.db2.gz ZSGUPAVUIUULMW-KDURUIRLSA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115777264 1370760305 /nfs/dbraw/zinc/76/03/05/1370760305.db2.gz MTAFWKJECKAQCG-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)CCC1 ZINC001205457622 1370761644 /nfs/dbraw/zinc/76/16/44/1370761644.db2.gz HNADVBYALLUMMM-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001205515986 1370778177 /nfs/dbraw/zinc/77/81/77/1370778177.db2.gz IMQNPDDSXFWJSM-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](CCc2cccc(Br)c2)CC1 ZINC001205537542 1370784231 /nfs/dbraw/zinc/78/42/31/1370784231.db2.gz IBWCDYOCWOGYJQ-HNNXBMFYSA-N 2 0 329.257 3.145 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)CC1 ZINC001115802262 1370785741 /nfs/dbraw/zinc/78/57/41/1370785741.db2.gz LCVLXOOGENGRKU-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)no2)cc1 ZINC001205546021 1370787215 /nfs/dbraw/zinc/78/72/15/1370787215.db2.gz OZCFQMYDBNRSLZ-GOSISDBHSA-N 2 0 333.407 3.003 20 0 EGADRP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570470 1370795098 /nfs/dbraw/zinc/79/50/98/1370795098.db2.gz KJMPRHPEXDJBGO-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205570416 1370795581 /nfs/dbraw/zinc/79/55/81/1370795581.db2.gz JUZSMTKJIOAHBC-CQSZACIVSA-N 2 0 338.320 3.377 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001205578437 1370798089 /nfs/dbraw/zinc/79/80/89/1370798089.db2.gz BXKTZOUEPVQFJW-HXUWFJFHSA-N 2 0 343.446 3.314 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205618072 1370812616 /nfs/dbraw/zinc/81/26/16/1370812616.db2.gz RESMUMSSCSJTDA-WCQYABFASA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205627171 1370816210 /nfs/dbraw/zinc/81/62/10/1370816210.db2.gz NKIKXKIWQRJQSM-QWHCGFSZSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OC3CCOCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205626346 1370816513 /nfs/dbraw/zinc/81/65/13/1370816513.db2.gz GCHFYGQFROKOPK-SJLPKXTDSA-N 2 0 332.488 3.051 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(OCc3ccccc3)no2)CC[C@H]1C[NH3+] ZINC001205635480 1370820659 /nfs/dbraw/zinc/82/06/59/1370820659.db2.gz AZAFSQYGQXEZOG-RDJZCZTQSA-N 2 0 329.444 3.060 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001205674104 1370838315 /nfs/dbraw/zinc/83/83/15/1370838315.db2.gz ZJPRBECZIDHARJ-GOSISDBHSA-N 2 0 334.847 3.276 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206013254 1370937631 /nfs/dbraw/zinc/93/76/31/1370937631.db2.gz QVLGNWCPZXWELP-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1O ZINC001206021604 1370940098 /nfs/dbraw/zinc/94/00/98/1370940098.db2.gz AJRVUNDXJZVOPB-STQMWFEESA-N 2 0 341.293 3.270 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1Cl ZINC001206036610 1370945135 /nfs/dbraw/zinc/94/51/35/1370945135.db2.gz MFWNNVLMZTVRFV-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1OCC1CC1 ZINC001206036708 1370945191 /nfs/dbraw/zinc/94/51/91/1370945191.db2.gz ONRWAYQFLAKHEP-WBVHZDCISA-N 2 0 332.488 3.291 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001206304322 1371016190 /nfs/dbraw/zinc/01/61/90/1371016190.db2.gz IRDKRAZPFMYTNP-IBGZPJMESA-N 2 0 326.444 3.220 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OC)c1 ZINC001206318619 1371020115 /nfs/dbraw/zinc/02/01/15/1371020115.db2.gz SAHDJOSJNCTBRI-QGZVFWFLSA-N 2 0 326.868 3.308 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001206326263 1371024048 /nfs/dbraw/zinc/02/40/48/1371024048.db2.gz MCPVSDWLPWRWPR-SFHVURJKSA-N 2 0 331.485 3.467 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)nc1 ZINC001206332224 1371026123 /nfs/dbraw/zinc/02/61/23/1371026123.db2.gz GGKFEIQQYUQRAK-LJQANCHMSA-N 2 0 327.476 3.054 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206541813 1371087209 /nfs/dbraw/zinc/08/72/09/1371087209.db2.gz KUHNMQHHRJYLOO-NRFANRHFSA-N 3 0 329.532 3.350 20 0 EGADRP CC(C)[N@H+](CCCCNC(=O)OC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206582938 1371100650 /nfs/dbraw/zinc/10/06/50/1371100650.db2.gz QLKAWBYRSZKOBI-INIZCTEOSA-N 2 0 327.513 3.144 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1C ZINC001206589483 1371101987 /nfs/dbraw/zinc/10/19/87/1371101987.db2.gz HMMQCLXBJBHQSC-INIZCTEOSA-N 2 0 335.492 3.161 20 0 EGADRP CC(C)[N@H+](Cc1ccc(-c2ccn(C)n2)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206607177 1371107832 /nfs/dbraw/zinc/10/78/32/1371107832.db2.gz XABUAGOCGMAQOR-IBGZPJMESA-N 2 0 326.488 3.440 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)n2)cc1 ZINC001206622917 1371111861 /nfs/dbraw/zinc/11/18/61/1371111861.db2.gz IVAVEXIZOBTHKG-INIZCTEOSA-N 2 0 325.456 3.318 20 0 EGADRP [NH3+]C[C@@H]1CCCCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC001206646971 1371117938 /nfs/dbraw/zinc/11/79/38/1371117938.db2.gz FSYLZQXJODOFCK-NSHDSACASA-N 2 0 338.249 3.151 20 0 EGADRP COc1cc(F)cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001206750012 1371152803 /nfs/dbraw/zinc/15/28/03/1371152803.db2.gz RRIPYQDXWGAUSD-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP Fc1ccc(-n2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c(F)c1 ZINC001118263442 1371153758 /nfs/dbraw/zinc/15/37/58/1371153758.db2.gz FFNCFBSTPKBOLP-UHFFFAOYSA-N 2 0 346.425 3.116 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118264131 1371154478 /nfs/dbraw/zinc/15/44/78/1371154478.db2.gz TXTHSCHWFKVUJV-KRWDZBQOSA-N 2 0 329.488 3.096 20 0 EGADRP Cc1ccc2[nH]c(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)nc2c1 ZINC001206760350 1371155577 /nfs/dbraw/zinc/15/55/77/1371155577.db2.gz DXPWUPZCWVDSJC-UHFFFAOYSA-N 2 0 334.467 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001206889604 1371209878 /nfs/dbraw/zinc/20/98/78/1371209878.db2.gz ZVYQKEWWMJSILP-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206947938 1371240665 /nfs/dbraw/zinc/24/06/65/1371240665.db2.gz OZBNFVARHCHMEF-HDICACEKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951313 1371242200 /nfs/dbraw/zinc/24/22/00/1371242200.db2.gz JYCHJWLWHRPZLV-QGZVFWFLSA-N 2 0 345.531 3.236 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952418 1371243796 /nfs/dbraw/zinc/24/37/96/1371243796.db2.gz OEXZWKKMIGBKQB-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP O=c1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)[nH]1 ZINC001207067999 1371284774 /nfs/dbraw/zinc/28/47/74/1371284774.db2.gz BSNUMKIJPZQSKB-UHFFFAOYSA-N 2 0 343.496 3.337 20 0 EGADRP CCN1CCO[C@@H]2C[N@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185544 1371323264 /nfs/dbraw/zinc/32/32/64/1371323264.db2.gz JOXCEOIGGOTGOU-UKBAYJJMSA-N 2 0 334.891 3.096 20 0 EGADRP C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207278927 1371348735 /nfs/dbraw/zinc/34/87/35/1371348735.db2.gz HDZYVAMSLJIGLE-CVEARBPZSA-N 2 0 341.540 3.199 20 0 EGADRP CC[N@H+](CCN1CCCC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290817 1371352512 /nfs/dbraw/zinc/35/25/12/1371352512.db2.gz HDBGILURPHQCJR-UHFFFAOYSA-N 2 0 329.532 3.316 20 0 EGADRP COC(=O)[C@H]1C[C@H](C)C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290678 1371352964 /nfs/dbraw/zinc/35/29/64/1371352964.db2.gz AQZOIQNPJCBCCR-PXNSSMCTSA-N 2 0 344.499 3.030 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@H](N4CCCCC4)C3)CC2)cc1 ZINC001207291805 1371352979 /nfs/dbraw/zinc/35/29/79/1371352979.db2.gz YXDFHBQSQIQSGP-JOCHJYFZSA-N 2 0 341.543 3.459 20 0 EGADRP COC(=O)[C@H]1CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207295627 1371354167 /nfs/dbraw/zinc/35/41/67/1371354167.db2.gz WXXOWGDPBLUYIK-FQEVSTJZSA-N 2 0 344.499 3.174 20 0 EGADRP CC1(C)C[C@@H](C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)CCO1 ZINC001207353200 1371369992 /nfs/dbraw/zinc/36/99/92/1371369992.db2.gz MEJRTWPDTJQLEP-IBGZPJMESA-N 2 0 338.536 3.016 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436515 1371394913 /nfs/dbraw/zinc/39/49/13/1371394913.db2.gz LIBZZECPJJKAGB-SFHVURJKSA-N 2 0 329.488 3.096 20 0 EGADRP c1csc(C[NH+]2CCC3(CC2)CC[NH+](CC2CC[NH2+]CC2)CC3)c1 ZINC001207435880 1371395537 /nfs/dbraw/zinc/39/55/37/1371395537.db2.gz ZEZZYFAMVVXTAF-UHFFFAOYSA-N 3 0 347.572 3.426 20 0 EGADRP COc1ccccc1CC[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001207453296 1371399581 /nfs/dbraw/zinc/39/95/81/1371399581.db2.gz IGMGIUHYPZVZNP-UHFFFAOYSA-N 2 0 346.515 3.062 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001207467679 1371403972 /nfs/dbraw/zinc/40/39/72/1371403972.db2.gz HHDFYZSZVKBYJG-UYWIDEMCSA-N 2 0 343.515 3.041 20 0 EGADRP C[NH+]1CCC(CCN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001207487757 1371410392 /nfs/dbraw/zinc/41/03/92/1371410392.db2.gz QLRGDQIRZOTDBT-QFIPXVFZSA-N 2 0 341.543 3.414 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001207486770 1371411312 /nfs/dbraw/zinc/41/13/12/1371411312.db2.gz CPNCHGDORMETOH-UXHICEINSA-N 2 0 344.499 3.345 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537680 1371429566 /nfs/dbraw/zinc/42/95/66/1371429566.db2.gz GONHRTUWFGZNQM-ODWICZQRSA-N 2 0 349.563 3.147 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c(Cl)nc4ccccn43)C[C@H]2C1 ZINC001119990766 1371445215 /nfs/dbraw/zinc/44/52/15/1371445215.db2.gz YNEATYBWKLUPBK-RRFJBIMHSA-N 2 0 332.879 3.150 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010679 1371454129 /nfs/dbraw/zinc/45/41/29/1371454129.db2.gz UHTUTIKUWXCXRQ-XDXAGZTOSA-N 2 0 335.536 3.093 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001120045989 1371467190 /nfs/dbraw/zinc/46/71/90/1371467190.db2.gz LJWSZAWUOHHQAI-QRVBRYPASA-N 2 0 349.563 3.173 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[NH+]3CCC2CC3)cc1OC ZINC001207724543 1371486132 /nfs/dbraw/zinc/48/61/32/1371486132.db2.gz ZVHCDZWDVQSOFK-RKVPGOIHSA-N 2 0 332.488 3.127 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCCC2)cs1 ZINC001120141212 1371494173 /nfs/dbraw/zinc/49/41/73/1371494173.db2.gz UXYWVBUNYJBOIX-UHFFFAOYSA-N 2 0 349.544 3.061 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120189385 1371503065 /nfs/dbraw/zinc/50/30/65/1371503065.db2.gz IVGNXNMYMJKOSS-UHFFFAOYSA-N 2 0 337.552 3.461 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790810 1371504929 /nfs/dbraw/zinc/50/49/29/1371504929.db2.gz YKCRAFCAYZVNLC-XWMIQMMGSA-N 2 0 340.471 3.049 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001120208451 1371505635 /nfs/dbraw/zinc/50/56/35/1371505635.db2.gz ZXWWCBDGVNVVAP-SFHVURJKSA-N 2 0 335.536 3.236 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207867966 1371525777 /nfs/dbraw/zinc/52/57/77/1371525777.db2.gz FYAONDRQOLRPSI-FOSBAXRVSA-N 2 0 340.471 3.131 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001207918664 1371539067 /nfs/dbraw/zinc/53/90/67/1371539067.db2.gz WJICPCKZITZBGZ-SFHVURJKSA-N 2 0 343.559 3.094 20 0 EGADRP Cc1ccc(CCC[NH+]2CCC(COCC[NH+]3CCCC3)CC2)o1 ZINC001207938836 1371544155 /nfs/dbraw/zinc/54/41/55/1371544155.db2.gz WMPFNZCTXXKJBC-UHFFFAOYSA-N 2 0 334.504 3.345 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001120431608 1371575660 /nfs/dbraw/zinc/57/56/60/1371575660.db2.gz UYMOXEQAOYSXDL-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001120450551 1371581628 /nfs/dbraw/zinc/58/16/28/1371581628.db2.gz WMURKAHAKGEHOD-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CS[C@H](C)CC[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001208145334 1371609110 /nfs/dbraw/zinc/60/91/10/1371609110.db2.gz UWEBQKZPTKBRNT-ILXRZTDVSA-N 2 0 325.547 3.181 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C[C@@H]3CCC(C)=C[C@@H]3C)CC2)C1 ZINC001208169609 1371617176 /nfs/dbraw/zinc/61/71/76/1371617176.db2.gz QTTKRKMQNMXSDN-GBESFXJTSA-N 2 0 348.531 3.328 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001208447339 1371769600 /nfs/dbraw/zinc/76/96/00/1371769600.db2.gz FFNPYGNFTBBPKO-WSTZPKSXSA-N 2 0 345.531 3.143 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208497822 1371787808 /nfs/dbraw/zinc/78/78/08/1371787808.db2.gz JXUWZYDAJHGGOK-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498873 1371788665 /nfs/dbraw/zinc/78/86/65/1371788665.db2.gz YQTFRMRLSFGKGO-PYTPGESOSA-N 2 0 340.471 3.275 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563696 1371819219 /nfs/dbraw/zinc/81/92/19/1371819219.db2.gz BNUFDKGFQHXLTR-KRWDZBQOSA-N 2 0 328.460 3.109 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208589946 1371830491 /nfs/dbraw/zinc/83/04/91/1371830491.db2.gz AVAYRMAGKKSHFC-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCC([NH+]3CCC3)CC2)cc1 ZINC001208593289 1371833127 /nfs/dbraw/zinc/83/31/27/1371833127.db2.gz GGUQFSJGDHUOHF-OAQYLSRUSA-N 2 0 327.516 3.211 20 0 EGADRP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208597326 1371834956 /nfs/dbraw/zinc/83/49/56/1371834956.db2.gz GHZUVNROHFZLIZ-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602344 1371835705 /nfs/dbraw/zinc/83/57/05/1371835705.db2.gz CJUWNWYEHCQHDV-VXKWHMMOSA-N 3 0 341.543 3.172 20 0 EGADRP CC[N@H+](CC1CC[NH+](CC)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208601704 1371836011 /nfs/dbraw/zinc/83/60/11/1371836011.db2.gz RIVPGOQUKWBMJV-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208603304 1371837359 /nfs/dbraw/zinc/83/73/59/1371837359.db2.gz AWAUCHWOCZPSNT-GOSISDBHSA-N 2 0 343.515 3.236 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)C1 ZINC001208612356 1371839962 /nfs/dbraw/zinc/83/99/62/1371839962.db2.gz GLYNISATTGRRMT-HBMCJLEFSA-N 2 0 343.515 3.042 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677249 1371858569 /nfs/dbraw/zinc/85/85/69/1371858569.db2.gz YCGTWGDRDODTDH-ZIFCJYIRSA-N 2 0 345.531 3.162 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CCCC1 ZINC001208768719 1371890573 /nfs/dbraw/zinc/89/05/73/1371890573.db2.gz HHEHBDUBYXBICL-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1(c2ccccc2)CCCC1 ZINC001208776095 1371892977 /nfs/dbraw/zinc/89/29/77/1371892977.db2.gz OLWNAGBSYDTLDT-LEWJYISDSA-N 2 0 341.543 3.209 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121233944 1371902866 /nfs/dbraw/zinc/90/28/66/1371902866.db2.gz UFGOSLGRFUGTQR-RBUNFDSBSA-N 2 0 349.563 3.312 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261035 1371912773 /nfs/dbraw/zinc/91/27/73/1371912773.db2.gz MMXYYEHLBIATSH-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121295147 1371926823 /nfs/dbraw/zinc/92/68/23/1371926823.db2.gz SANRRLNIZMCVCP-FCOWATRHSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(CCCc3ccccc3Cl)CC2)CC1 ZINC001208875525 1371929047 /nfs/dbraw/zinc/92/90/47/1371929047.db2.gz XBKDWCVYFCCFRM-UHFFFAOYSA-N 2 0 349.950 3.232 20 0 EGADRP C[N@H+](C1CC1)C1CC[NH+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001208910373 1371940640 /nfs/dbraw/zinc/94/06/40/1371940640.db2.gz FYBUZSFLSUEXQU-UHFFFAOYSA-N 2 0 327.516 3.462 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919786 1371945318 /nfs/dbraw/zinc/94/53/18/1371945318.db2.gz WHZXYFYYHUCEFY-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@]1(C)O ZINC001208932874 1371952355 /nfs/dbraw/zinc/95/23/55/1371952355.db2.gz RSMGADHWMMCSMU-HMXCVIKNSA-N 2 0 330.516 3.382 20 0 EGADRP COC(=O)C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939130 1371953204 /nfs/dbraw/zinc/95/32/04/1371953204.db2.gz FWLXHNAYFOYVJI-PMACEKPBSA-N 2 0 344.499 3.174 20 0 EGADRP CCOC(=O)C1(C)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208950860 1371960332 /nfs/dbraw/zinc/96/03/32/1371960332.db2.gz WZEQWHWFDPVOLD-LJQANCHMSA-N 2 0 344.499 3.174 20 0 EGADRP C[N@H+](C1CC1)C1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208959660 1371961922 /nfs/dbraw/zinc/96/19/22/1371961922.db2.gz SUEXEBDGWQJTHA-IBGZPJMESA-N 2 0 327.516 3.067 20 0 EGADRP Cc1nnc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001208955806 1371962193 /nfs/dbraw/zinc/96/21/93/1371962193.db2.gz FRIUCPDKLDMDHW-RBUKOAKNSA-N 2 0 340.471 3.080 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121702394 1372051211 /nfs/dbraw/zinc/05/12/11/1372051211.db2.gz CFWANJUXQHDPSD-GUYFDXGHSA-N 2 0 343.515 3.025 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772449 1372076410 /nfs/dbraw/zinc/07/64/10/1372076410.db2.gz AKILOONORUQCJJ-ZCBKYUGRSA-N 2 0 347.547 3.092 20 0 EGADRP C[N@H+](CCCCCCNC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001209357025 1372076538 /nfs/dbraw/zinc/07/65/38/1372076538.db2.gz LEQKEJUZPXCCHZ-UHFFFAOYSA-N 2 0 341.540 3.345 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121773353 1372077043 /nfs/dbraw/zinc/07/70/43/1372077043.db2.gz PYONBLQULTWVPI-HNRGNPPISA-N 2 0 349.563 3.027 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001121778901 1372078608 /nfs/dbraw/zinc/07/86/08/1372078608.db2.gz DAIPKSCYAWKXFW-AATRIKPKSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)(C)OC(=O)NCCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001209367906 1372079317 /nfs/dbraw/zinc/07/93/17/1372079317.db2.gz ABZQHZFHPTWGRJ-UHFFFAOYSA-N 2 0 339.524 3.242 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)CC1CCC(OC)CC1 ZINC001209396371 1372090131 /nfs/dbraw/zinc/09/01/31/1372090131.db2.gz VVUQTHBVBWNADJ-UHFFFAOYSA-N 2 0 341.584 3.177 20 0 EGADRP CN(CCC[NH+]1CCCCC1)CCc1cccc(C(F)(F)F)n1 ZINC001209447664 1372108559 /nfs/dbraw/zinc/10/85/59/1372108559.db2.gz BUUCCQVWRLCIMV-UHFFFAOYSA-N 2 0 329.410 3.451 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1ccccc1)C2 ZINC001121935297 1372127243 /nfs/dbraw/zinc/12/72/43/1372127243.db2.gz LQIWLBXSLYJMDJ-GICSWVMSSA-N 2 0 343.515 3.106 20 0 EGADRP [NH3+]CCCSCCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001121987522 1372145623 /nfs/dbraw/zinc/14/56/23/1372145623.db2.gz AXUGFUVFRZEFQK-UHFFFAOYSA-N 2 0 349.544 3.126 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1)[NH+](CC)CC ZINC001209613582 1372151052 /nfs/dbraw/zinc/15/10/52/1372151052.db2.gz JRHUWIKLRSPTIY-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c2cccnc21 ZINC001209749497 1372183905 /nfs/dbraw/zinc/18/39/05/1372183905.db2.gz ZWKOSNIDYGKLHN-OALUTQOASA-N 2 0 346.478 3.137 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122242997 1372210276 /nfs/dbraw/zinc/21/02/76/1372210276.db2.gz VAPIQJGAPOZNLZ-ARJAWSKDSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133415 1372278351 /nfs/dbraw/zinc/27/83/51/1372278351.db2.gz POWTWYUOGSYLEV-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCCCC)C1 ZINC001210182999 1372289845 /nfs/dbraw/zinc/28/98/45/1372289845.db2.gz JXXIPTSKNBRUGD-SFHVURJKSA-N 2 0 325.541 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001187921490 1388190620 /nfs/dbraw/zinc/19/06/20/1388190620.db2.gz KAXZZZAKDQEUCX-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP Cc1nc2cc(C)c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2s1 ZINC001210266347 1372310368 /nfs/dbraw/zinc/31/03/68/1372310368.db2.gz LNRADNKUNOZLFG-UHFFFAOYSA-N 2 0 339.468 3.461 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210744410 1372417635 /nfs/dbraw/zinc/41/76/35/1372417635.db2.gz POCROPIKCPQWDY-AZUAARDMSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)sc2C1 ZINC001326463627 1388200292 /nfs/dbraw/zinc/20/02/92/1388200292.db2.gz FRKYRSZBWZZKSE-MUIFIZLQSA-N 2 0 349.544 3.129 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3ccc(C[NH2+]C)cc3)cc2F)CC1 ZINC001211128406 1372488720 /nfs/dbraw/zinc/48/87/20/1372488720.db2.gz FLCDJOONXRZASN-UHFFFAOYSA-N 2 0 342.462 3.431 20 0 EGADRP COc1c[nH+]ccc1Nc1cc(F)ccc1OCC1CC[NH+](C)CC1 ZINC001211264704 1372516122 /nfs/dbraw/zinc/51/61/22/1372516122.db2.gz JGCDFQWMLHSIHK-UHFFFAOYSA-N 2 0 345.418 3.115 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1C ZINC001211370936 1372542161 /nfs/dbraw/zinc/54/21/61/1372542161.db2.gz DRBWJUITKCMWRS-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211623712 1372591812 /nfs/dbraw/zinc/59/18/12/1372591812.db2.gz PLZSAAOLNGGZGR-XUVXKRRUSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001326481295 1388210143 /nfs/dbraw/zinc/21/01/43/1388210143.db2.gz QUDBEMGUXXJRMC-KRWDZBQOSA-N 2 0 345.531 3.341 20 0 EGADRP C[NH+]1CCN(c2cccc(Nc3cc[nH+]c(N4CCCC4)c3)c2)CC1 ZINC001212711581 1372758808 /nfs/dbraw/zinc/75/88/08/1372758808.db2.gz HRDXKAZKYLLYMU-UHFFFAOYSA-N 2 0 337.471 3.177 20 0 EGADRP C[NH+](C)CCc1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001212716221 1372760115 /nfs/dbraw/zinc/76/01/15/1372760115.db2.gz XOQCVTPKTVVOJQ-UHFFFAOYSA-N 2 0 338.499 3.286 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234427 1373189811 /nfs/dbraw/zinc/18/98/11/1373189811.db2.gz UXULPVZKRYCFHN-IKSUFZCESA-N 2 0 335.536 3.044 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cccc(CN3CC[NH+](C)CC3)c2)c1F ZINC001216223477 1373284384 /nfs/dbraw/zinc/28/43/84/1373284384.db2.gz BDAOOWBUFWESFG-UHFFFAOYSA-N 2 0 342.462 3.036 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(F)cc2OCC[NH+](C)C)c1F ZINC001216226301 1373285187 /nfs/dbraw/zinc/28/51/87/1373285187.db2.gz KKSLTURRUCBOTO-UHFFFAOYSA-N 2 0 335.398 3.368 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001216226302 1373285237 /nfs/dbraw/zinc/28/52/37/1373285237.db2.gz RSWXCHVTCQOKQI-QWFCFKBJSA-N 2 0 345.531 3.143 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001216490612 1373311826 /nfs/dbraw/zinc/31/18/26/1373311826.db2.gz GRQCAERAMSTKSO-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001216511357 1373313382 /nfs/dbraw/zinc/31/33/82/1373313382.db2.gz PEQARAQNOJTVFN-WSTZPKSXSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001216846553 1373351101 /nfs/dbraw/zinc/35/11/01/1373351101.db2.gz LWFXXQNWBBQBCZ-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001130299768 1373487799 /nfs/dbraw/zinc/48/77/99/1373487799.db2.gz CKGCPNAGNNYNFW-APWZRJJASA-N 2 0 331.504 3.061 20 0 EGADRP [NH3+]Cc1ccccc1CO[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001217911230 1373511431 /nfs/dbraw/zinc/51/14/31/1373511431.db2.gz NOAKQXZNRMXSOK-IBGZPJMESA-N 2 0 328.431 3.466 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCCCCCC[NH3+])O1 ZINC001217908203 1373511465 /nfs/dbraw/zinc/51/14/65/1373511465.db2.gz JGCCCGINYNRHBZ-LJQANCHMSA-N 2 0 334.504 3.202 20 0 EGADRP F[C@H]1CC[NH2+]C[C@@H]1Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001217962299 1373521309 /nfs/dbraw/zinc/52/13/09/1373521309.db2.gz YVGGWVZTTITULW-HKUYNNGSSA-N 2 0 343.446 3.300 20 0 EGADRP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)cc13 ZINC001218001271 1373531563 /nfs/dbraw/zinc/53/15/63/1373531563.db2.gz SVVVPLBMFDOTEA-RSRIQPTJSA-N 2 0 344.474 3.064 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001130615633 1373571245 /nfs/dbraw/zinc/57/12/45/1373571245.db2.gz ORBLQVNQLFMPBH-XFXZXTDPSA-N 2 0 343.515 3.059 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001130658485 1373576256 /nfs/dbraw/zinc/57/62/56/1373576256.db2.gz ABYLGXPHJDJNGH-LJQANCHMSA-N 2 0 336.439 3.113 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001130711450 1373583174 /nfs/dbraw/zinc/58/31/74/1373583174.db2.gz VPLBEKBUBDSFMQ-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001130710697 1373583209 /nfs/dbraw/zinc/58/32/09/1373583209.db2.gz AVCNRTWKAJGSIY-HXUWFJFHSA-N 2 0 345.531 3.136 20 0 EGADRP [NH3+][C@@H](CC(=O)Nc1cccc2c1C[NH2+]C2)c1cccc2ccccc21 ZINC001218993279 1373676120 /nfs/dbraw/zinc/67/61/20/1373676120.db2.gz MDQLLSVIULUQPY-IBGZPJMESA-N 2 0 331.419 3.472 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC001219024420 1373680822 /nfs/dbraw/zinc/68/08/22/1373680822.db2.gz YDUXKXYGSTWJSY-HXUWFJFHSA-N 2 0 329.488 3.389 20 0 EGADRP N[C@@H](C[NH3+])c1ccc(C(=O)Nc2cccc3c(Cl)ccnc23)cc1 ZINC001219117218 1373688250 /nfs/dbraw/zinc/68/82/50/1373688250.db2.gz ZIGKAASOVDSKJX-HNNXBMFYSA-N 2 0 340.814 3.099 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)NC[C@]1(F)CCC[NH2+]C1)c1ccccc1 ZINC001219768172 1373731801 /nfs/dbraw/zinc/73/18/01/1373731801.db2.gz KPORCCDDLMPVPJ-QUCCMNQESA-N 2 0 349.494 3.058 20 0 EGADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001219818685 1373733149 /nfs/dbraw/zinc/73/31/49/1373733149.db2.gz JJYUVAWVZGBDLK-WOZUAGRISA-N 2 0 349.478 3.089 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221553135 1373780151 /nfs/dbraw/zinc/78/01/51/1373780151.db2.gz SIRAZRSSAOGNJN-CQQBRXBZSA-N 2 0 347.547 3.140 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001326727650 1388291145 /nfs/dbraw/zinc/29/11/45/1388291145.db2.gz GPWPBGPBFAVIOQ-YJBOKZPZSA-N 2 0 330.863 3.291 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740104 1388295440 /nfs/dbraw/zinc/29/54/40/1388295440.db2.gz DNNGBQVGQKNWQC-PMACEKPBSA-N 2 0 329.532 3.361 20 0 EGADRP CN(CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)Cc1ccccc1 ZINC001188361182 1388296492 /nfs/dbraw/zinc/29/64/92/1388296492.db2.gz GSCFFERGZUSQOJ-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP C[N@H+](CCC(=O)NCC1CC[NH+](CCC2CC2)CC1)C1CCCCC1 ZINC001223928317 1375048146 /nfs/dbraw/zinc/04/81/46/1375048146.db2.gz ABTMEDZBAJMPAJ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739263 1375072407 /nfs/dbraw/zinc/07/24/07/1375072407.db2.gz LEHUMMUIEDXVPR-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](C/C=C\Cl)CC1 ZINC001224884394 1375082416 /nfs/dbraw/zinc/08/24/16/1375082416.db2.gz QXRTYZCSJLMQAE-YFHOEESVSA-N 2 0 343.943 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001225245057 1375099322 /nfs/dbraw/zinc/09/93/22/1375099322.db2.gz NPKOHIBEXQWQOF-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001225244101 1375099444 /nfs/dbraw/zinc/09/94/44/1375099444.db2.gz HAFSRDJDQYLXPL-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578065 1375126547 /nfs/dbraw/zinc/12/65/47/1375126547.db2.gz OWOSXODDWPASDL-RRFGBZISSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1CCCCC1 ZINC001132105202 1375149972 /nfs/dbraw/zinc/14/99/72/1375149972.db2.gz CLLNQTIJBLRRKQ-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141960 1375167251 /nfs/dbraw/zinc/16/72/51/1375167251.db2.gz WBDCLSCUHCCUIF-ROUUACIJSA-N 2 0 346.519 3.067 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132153892 1375174335 /nfs/dbraw/zinc/17/43/35/1375174335.db2.gz USTVXDZRCSQTEH-HRMTXBTBSA-N 2 0 340.471 3.273 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132211291 1375211719 /nfs/dbraw/zinc/21/17/19/1375211719.db2.gz NYCFJARMSKLZTN-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214964 1375213286 /nfs/dbraw/zinc/21/32/86/1375213286.db2.gz PQXQVGSZMWLFGR-PLQXZHKYSA-N 2 0 335.536 3.186 20 0 EGADRP Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c(C)c1 ZINC001132266455 1375255376 /nfs/dbraw/zinc/25/53/76/1375255376.db2.gz XHQPVPBHAQTGPW-OALUTQOASA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCC1CCCCC1 ZINC001132269659 1375257422 /nfs/dbraw/zinc/25/74/22/1375257422.db2.gz NINXXBXUGVAOSE-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132376130 1375338635 /nfs/dbraw/zinc/33/86/35/1375338635.db2.gz JRRKHKIQOFJNHL-PKOBYXMFSA-N 2 0 335.536 3.188 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132375253 1375339103 /nfs/dbraw/zinc/33/91/03/1375339103.db2.gz CCYATQHAGCCEOO-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132375626 1375339736 /nfs/dbraw/zinc/33/97/36/1375339736.db2.gz GGDOSEOICFEEAF-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132409670 1375359039 /nfs/dbraw/zinc/35/90/39/1375359039.db2.gz COZBIGOKSDVCMQ-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC)C1 ZINC001132420276 1375369754 /nfs/dbraw/zinc/36/97/54/1375369754.db2.gz PVUPNNUCYJFRIC-ROUUACIJSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132436264 1375381627 /nfs/dbraw/zinc/38/16/27/1375381627.db2.gz JRPYDWZHMIVVAT-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132441269 1375385009 /nfs/dbraw/zinc/38/50/09/1375385009.db2.gz MSMOSLKWXBPJJW-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)C1CC1 ZINC001227159075 1375400203 /nfs/dbraw/zinc/40/02/03/1375400203.db2.gz BSANCMUPFIYDSD-OAHLLOKOSA-N 3 0 333.520 3.049 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001227224314 1375408814 /nfs/dbraw/zinc/40/88/14/1375408814.db2.gz CJXVBNMBMOODOW-QRVBRYPASA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132493176 1375423573 /nfs/dbraw/zinc/42/35/73/1375423573.db2.gz JXEVWXCCGBQKQP-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CCCCC1 ZINC001132523875 1375439704 /nfs/dbraw/zinc/43/97/04/1375439704.db2.gz BJMNYJORIKCOBW-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001132524441 1375440833 /nfs/dbraw/zinc/44/08/33/1375440833.db2.gz GZDNCHVNDVJCRG-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548484 1375454260 /nfs/dbraw/zinc/45/42/60/1375454260.db2.gz DOSMGPIYCARJPA-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227791359 1375474485 /nfs/dbraw/zinc/47/44/85/1375474485.db2.gz CQOYXVKXKVCKDY-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001227807022 1375477660 /nfs/dbraw/zinc/47/76/60/1375477660.db2.gz KZXGNLSJTKCLTB-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC001228040069 1375509427 /nfs/dbraw/zinc/50/94/27/1375509427.db2.gz QWKIMMYLSTUUPV-HNNXBMFYSA-N 2 0 349.494 3.198 20 0 EGADRP CCc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228053319 1375512412 /nfs/dbraw/zinc/51/24/12/1375512412.db2.gz DGXKSCYUCLQVET-UHFFFAOYSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001228156691 1375520564 /nfs/dbraw/zinc/52/05/64/1375520564.db2.gz RRMFRIMDIFBMMB-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)c1 ZINC001228254973 1375535020 /nfs/dbraw/zinc/53/50/20/1375535020.db2.gz MCWKNBXAPOACFD-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001228254800 1375535051 /nfs/dbraw/zinc/53/50/51/1375535051.db2.gz JPYXKOUNDWVSKW-RTBURBONSA-N 2 0 349.494 3.015 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001228260530 1375536636 /nfs/dbraw/zinc/53/66/36/1375536636.db2.gz BZUKUAQEHUEUJI-CSODTCANSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001132739838 1375539526 /nfs/dbraw/zinc/53/95/26/1375539526.db2.gz WEESZDJOIYSFMX-RTBURBONSA-N 2 0 345.531 3.192 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C\c1ccccc1 ZINC001228377519 1375559480 /nfs/dbraw/zinc/55/94/80/1375559480.db2.gz WIBYXCKUJHUEIZ-JDBYYAOJSA-N 2 0 343.515 3.059 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132925677 1375647700 /nfs/dbraw/zinc/64/77/00/1375647700.db2.gz ZRYJOKPRDAGYBX-RTBURBONSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](CCCC(C)C)CC2)C1 ZINC001228801224 1375681688 /nfs/dbraw/zinc/68/16/88/1375681688.db2.gz LGVJKTUSCFQLCW-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133072047 1375758439 /nfs/dbraw/zinc/75/84/39/1375758439.db2.gz DONSXIXPLCONJG-AWTIPJNISA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122484 1375787425 /nfs/dbraw/zinc/78/74/25/1375787425.db2.gz RNJJPMGNFYNVJR-MSOLQXFVSA-N 2 0 339.568 3.085 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229232309 1375790853 /nfs/dbraw/zinc/79/08/53/1375790853.db2.gz ZOPSSLHHAXNSFJ-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001229524106 1375851177 /nfs/dbraw/zinc/85/11/77/1375851177.db2.gz OFSCYXMQDLKQIV-VAMGGRTRSA-N 2 0 343.515 3.033 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133224771 1375853003 /nfs/dbraw/zinc/85/30/03/1375853003.db2.gz DUKQDPMMOMNFAF-FAPWYTRCSA-N 2 0 337.552 3.149 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CCCCCF)CC1)C(C)C ZINC001229655316 1375872840 /nfs/dbraw/zinc/87/28/40/1375872840.db2.gz HAAKEGSIVOBRED-SFHVURJKSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001229837189 1375901428 /nfs/dbraw/zinc/90/14/28/1375901428.db2.gz ADLORRXWAJTFDA-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001230112853 1375946145 /nfs/dbraw/zinc/94/61/45/1375946145.db2.gz CYGKFDMPFATMFB-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001230280141 1375982254 /nfs/dbraw/zinc/98/22/54/1375982254.db2.gz OVRVMXKQYSOZHD-RTBURBONSA-N 2 0 349.494 3.013 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001230284461 1375985112 /nfs/dbraw/zinc/98/51/12/1375985112.db2.gz GFLNUPNMJZLHST-CSODTCANSA-N 2 0 337.552 3.170 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230621940 1376105125 /nfs/dbraw/zinc/10/51/25/1376105125.db2.gz JCIAJNXKNJCDLH-HZQHCPKGSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC001327180504 1388427793 /nfs/dbraw/zinc/42/77/93/1388427793.db2.gz IBLJVEUCFYQHCG-FQEVSTJZSA-N 2 0 337.467 3.447 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]([NH3+])C2CCCCC2)cc1 ZINC001327195946 1388436746 /nfs/dbraw/zinc/43/67/46/1388436746.db2.gz JPOXQQJOXUAPLJ-LJQANCHMSA-N 2 0 347.503 3.253 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001232145817 1376409140 /nfs/dbraw/zinc/40/91/40/1376409140.db2.gz BIXTXCJTYZAGGB-HXUWFJFHSA-N 2 0 327.447 3.489 20 0 EGADRP COCc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001232298849 1376433763 /nfs/dbraw/zinc/43/37/63/1376433763.db2.gz UVCVOTYPJDRHHC-UHFFFAOYSA-N 2 0 346.515 3.157 20 0 EGADRP CCn1c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)nc2c1cccc2F ZINC001327206051 1388443616 /nfs/dbraw/zinc/44/36/16/1388443616.db2.gz KSIRJGDZHYOFCM-UHFFFAOYSA-N 2 0 330.451 3.161 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](Cc3ccc4ccsc4c3)CC2)CC1 ZINC001232611170 1376488835 /nfs/dbraw/zinc/48/88/35/1376488835.db2.gz HAAUXOWXPFGXFN-UHFFFAOYSA-N 2 0 329.513 3.113 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369378 1376497391 /nfs/dbraw/zinc/49/73/91/1376497391.db2.gz KPCICLNTHRJYPF-DLBZAZTESA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCCCF)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369523 1376497409 /nfs/dbraw/zinc/49/74/09/1376497409.db2.gz NNBHCGYPAFJYEH-IAGOWNOFSA-N 2 0 343.531 3.264 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582902 1376607266 /nfs/dbraw/zinc/60/72/66/1376607266.db2.gz BGTVPVIQYHPUET-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584717 1376608153 /nfs/dbraw/zinc/60/81/53/1376608153.db2.gz WKQMMMAZUGRPIT-DLBZAZTESA-N 2 0 345.531 3.106 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001134765979 1376710335 /nfs/dbraw/zinc/71/03/35/1376710335.db2.gz BRHCHTAGHYDLAZ-QUCCMNQESA-N 2 0 345.531 3.333 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001134765930 1376710479 /nfs/dbraw/zinc/71/04/79/1376710479.db2.gz AOHJALPSGAIYDU-IEBWSBKVSA-N 2 0 331.504 3.025 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134822583 1376742806 /nfs/dbraw/zinc/74/28/06/1376742806.db2.gz YLBPSKYBFRZJPB-HUUCEWRRSA-N 2 0 330.476 3.319 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892449 1376770843 /nfs/dbraw/zinc/77/08/43/1376770843.db2.gz MBKWFCZPZHZFCA-HOTGVXAUSA-N 2 0 342.487 3.401 20 0 EGADRP CN(CCC[N@H+](C)CC1CCC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001327251737 1388463808 /nfs/dbraw/zinc/46/38/08/1388463808.db2.gz LCYSYWLJMXPCQT-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993595 1376832806 /nfs/dbraw/zinc/83/28/06/1376832806.db2.gz JVCKAVVJHXJIHM-CVEARBPZSA-N 2 0 330.476 3.257 20 0 EGADRP Cc1c(Br)ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1C ZINC001235338257 1376868590 /nfs/dbraw/zinc/86/85/90/1376868590.db2.gz FGHFNZJCZNGLAT-UHFFFAOYSA-N 2 0 337.305 3.497 20 0 EGADRP CC(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077364 1376882629 /nfs/dbraw/zinc/88/26/29/1376882629.db2.gz NVHOWTCLTUPXMA-SJORKVTESA-N 2 0 325.541 3.170 20 0 EGADRP Fc1ccccc1[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235726861 1376886477 /nfs/dbraw/zinc/88/64/77/1376886477.db2.gz QNMJCEUZBWFKLR-QGZVFWFLSA-N 2 0 339.458 3.225 20 0 EGADRP CC(C)C[C@H]1CN(CC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001235877942 1376908251 /nfs/dbraw/zinc/90/82/51/1376908251.db2.gz FOCZJZBKTNJTPA-NRFANRHFSA-N 2 0 329.532 3.219 20 0 EGADRP Fc1ccc(CN2CCC[N@H+](CC3CC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001235885836 1376911199 /nfs/dbraw/zinc/91/11/99/1376911199.db2.gz ZVRPCBOJCBNZLD-UHFFFAOYSA-N 2 0 345.506 3.113 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180488 1376952912 /nfs/dbraw/zinc/95/29/12/1376952912.db2.gz HZASKWLQBZFWOW-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181618 1376954963 /nfs/dbraw/zinc/95/49/63/1376954963.db2.gz RWSIJUWRXHCAGD-HOTGVXAUSA-N 2 0 325.541 3.170 20 0 EGADRP CCC[N@@H+](Cc1ccc(OCc2ccccc2)nc1)C[C@@H]1CC[NH2+]C1 ZINC001236842961 1376965779 /nfs/dbraw/zinc/96/57/79/1376965779.db2.gz IKOIGFVXJSISHV-HXUWFJFHSA-N 2 0 339.483 3.482 20 0 EGADRP CCC[N@@H+](Cc1ccc(Br)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844598 1376966838 /nfs/dbraw/zinc/96/68/38/1376966838.db2.gz WPGAGCBKBMOOPY-CQSZACIVSA-N 2 0 341.293 3.279 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299122 1377027079 /nfs/dbraw/zinc/02/70/79/1377027079.db2.gz UNVPPGYXGXQYGY-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001135336719 1377044794 /nfs/dbraw/zinc/04/47/94/1377044794.db2.gz IMWCHCIRZLZEJM-FQEVSTJZSA-N 2 0 339.483 3.219 20 0 EGADRP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1Cl ZINC001246296516 1377051233 /nfs/dbraw/zinc/05/12/33/1377051233.db2.gz RXVKMJUFRRGFHY-CKQIIDDLSA-N 2 0 342.314 3.469 20 0 EGADRP [NH3+]C1CCC(N([C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246292447 1377051307 /nfs/dbraw/zinc/05/13/07/1377051307.db2.gz WBIHYCYXVVPOKC-PTAFHAGTSA-N 2 0 327.516 3.257 20 0 EGADRP Brc1ccc2c(c1)C[C@@H]([NH2+]C1(CC3CC3)CC[NH2+]CC1)C2 ZINC001246380987 1377051684 /nfs/dbraw/zinc/05/16/84/1377051684.db2.gz MAGFXQGLWFHCQG-KRWDZBQOSA-N 2 0 349.316 3.428 20 0 EGADRP CC(=O)Oc1ccc(C2CCC([N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)CC2)cc1 ZINC001246544861 1377052354 /nfs/dbraw/zinc/05/23/54/1377052354.db2.gz CUQBPHUEIZBPNC-ZUKISOHSSA-N 2 0 330.472 3.165 20 0 EGADRP C(C1CCCCC1)[NH+]1CCN(C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246542704 1377052535 /nfs/dbraw/zinc/05/25/35/1377052535.db2.gz XLJJTLSYCKEDHC-UHFFFAOYSA-N 2 0 333.564 3.497 20 0 EGADRP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C3)c1 ZINC001246717471 1377053400 /nfs/dbraw/zinc/05/34/00/1377053400.db2.gz ACRKAMGCNFWOSR-PBASOCQRSA-N 2 0 343.515 3.149 20 0 EGADRP CCCC[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246749136 1377054034 /nfs/dbraw/zinc/05/40/34/1377054034.db2.gz VIFRBOWKESETNH-CIRFHOKZSA-N 2 0 347.528 3.239 20 0 EGADRP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246747806 1377054298 /nfs/dbraw/zinc/05/42/98/1377054298.db2.gz RXOKLLKPXRKSQY-XLNGHYISSA-N 2 0 347.528 3.094 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001135374761 1377061105 /nfs/dbraw/zinc/06/11/05/1377061105.db2.gz GCVQVAFMMVMCMU-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)C1 ZINC001247795697 1377064369 /nfs/dbraw/zinc/06/43/69/1377064369.db2.gz GVAUODLZXUIOPP-QXIXBFCJSA-N 2 0 339.443 3.259 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817861 1377070341 /nfs/dbraw/zinc/07/03/41/1377070341.db2.gz OEMJJTAUMDISAB-UHFFFAOYSA-N 2 0 346.494 3.157 20 0 EGADRP COC(=O)c1ccc(C2CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254526778 1377106983 /nfs/dbraw/zinc/10/69/83/1377106983.db2.gz UOIVLCSBTXRAHI-IBGZPJMESA-N 2 0 330.472 3.137 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC001135468154 1377107597 /nfs/dbraw/zinc/10/75/97/1377107597.db2.gz MZTSKVHEJGYKMJ-ROUUACIJSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471257 1377108954 /nfs/dbraw/zinc/10/89/54/1377108954.db2.gz JIZRRDWRZNMBEO-MSOLQXFVSA-N 2 0 347.547 3.323 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CCCC1CCCC1)C(C)C ZINC001135477348 1377111684 /nfs/dbraw/zinc/11/16/84/1377111684.db2.gz DJEBGNNYUIVECF-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135480331 1377112308 /nfs/dbraw/zinc/11/23/08/1377112308.db2.gz ASZOQDGABKNEPR-IAGOWNOFSA-N 2 0 327.557 3.418 20 0 EGADRP C[NH+]1CCC(CCC[NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258638912 1377118584 /nfs/dbraw/zinc/11/85/84/1377118584.db2.gz IISSRVAAAQWOJK-UHFFFAOYSA-N 2 0 343.515 3.003 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614600 1377163267 /nfs/dbraw/zinc/16/32/67/1377163267.db2.gz XEFZBZWRSYTGMW-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675631 1377180995 /nfs/dbraw/zinc/18/09/95/1377180995.db2.gz JLMPAVXLNCILOL-SJORKVTESA-N 2 0 331.504 3.201 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675510 1377181033 /nfs/dbraw/zinc/18/10/33/1377181033.db2.gz HJPKBFAOVPLGMK-IRXDYDNUSA-N 2 0 333.520 3.425 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001135688623 1377184366 /nfs/dbraw/zinc/18/43/66/1377184366.db2.gz YPGJURWPHMEWJO-SFHVURJKSA-N 2 0 345.531 3.309 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C(C)C ZINC001135690327 1377184514 /nfs/dbraw/zinc/18/45/14/1377184514.db2.gz GMLHDZGYNHNZLP-ZWKOTPCHSA-N 2 0 325.541 3.338 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135691633 1377185663 /nfs/dbraw/zinc/18/56/63/1377185663.db2.gz XTTVNSUISVTQTK-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135705825 1377190219 /nfs/dbraw/zinc/19/02/19/1377190219.db2.gz JPYHNVCTPDSZKH-IRXDYDNUSA-N 2 0 345.531 3.279 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135742898 1377198897 /nfs/dbraw/zinc/19/88/97/1377198897.db2.gz AQNMPDOQEPEZHP-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767956 1377205903 /nfs/dbraw/zinc/20/59/03/1377205903.db2.gz KURZACXWOAWQQI-ZWKOTPCHSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135789418 1377212269 /nfs/dbraw/zinc/21/22/69/1377212269.db2.gz UPEPTGGBTYFCAI-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001266185320 1377220557 /nfs/dbraw/zinc/22/05/57/1377220557.db2.gz DPRWOUMDIUXXOA-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001135824607 1377222611 /nfs/dbraw/zinc/22/26/11/1377222611.db2.gz VCKFSKOIJRHXNG-DLBZAZTESA-N 2 0 337.552 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135860825 1377238292 /nfs/dbraw/zinc/23/82/92/1377238292.db2.gz HZMFIEDQOLBKGD-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135861384 1377238635 /nfs/dbraw/zinc/23/86/35/1377238635.db2.gz PZXZREJPKYRZNU-IRXDYDNUSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961758 1377277474 /nfs/dbraw/zinc/27/74/74/1377277474.db2.gz WEWMIBFHLKOQIV-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135977789 1377284999 /nfs/dbraw/zinc/28/49/99/1377284999.db2.gz ZFUQWTQHKILWNO-CVEARBPZSA-N 2 0 345.487 3.148 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccc(CC)cc1 ZINC001135980302 1377286235 /nfs/dbraw/zinc/28/62/35/1377286235.db2.gz NIYQNQFNMFQWES-QZTJIDSGSA-N 2 0 347.547 3.006 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1CC ZINC001135992890 1377291458 /nfs/dbraw/zinc/29/14/58/1377291458.db2.gz WDMPRIHSOYSFKC-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001267129316 1377416251 /nfs/dbraw/zinc/41/62/51/1377416251.db2.gz NKQZNIKXXTWCFX-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC1CCCCCC1 ZINC001268224318 1377497965 /nfs/dbraw/zinc/49/79/65/1377497965.db2.gz SBMOMTDNXISVER-RBUKOAKNSA-N 2 0 339.568 3.273 20 0 EGADRP CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001270125370 1377595091 /nfs/dbraw/zinc/59/50/91/1377595091.db2.gz XPGJTPYMLRGZIH-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)CC(C)(C)C ZINC001137727812 1377606195 /nfs/dbraw/zinc/60/61/95/1377606195.db2.gz RXHYWYJKVIBILM-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(C)cccc3C)CC2)C1 ZINC001137852594 1377631081 /nfs/dbraw/zinc/63/10/81/1377631081.db2.gz IPJIYVKQCPMVOU-GOSISDBHSA-N 2 0 344.499 3.153 20 0 EGADRP CCCc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)s1 ZINC001138527368 1377737291 /nfs/dbraw/zinc/73/72/91/1377737291.db2.gz FGBNXRNBQIRYAO-UHFFFAOYSA-N 2 0 335.561 3.160 20 0 EGADRP Cc1nnc(C2CC[NH+](Cc3ccc(-n4ccnc4C)cc3)CC2)o1 ZINC001138548484 1377739431 /nfs/dbraw/zinc/73/94/31/1377739431.db2.gz FJNPCJPGXPQMSZ-UHFFFAOYSA-N 2 0 337.427 3.252 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)nn1C ZINC001138827462 1377792680 /nfs/dbraw/zinc/79/26/80/1377792680.db2.gz YFIRFIGYYGSSGK-UHFFFAOYSA-N 2 0 344.528 3.278 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001138850742 1377794757 /nfs/dbraw/zinc/79/47/57/1377794757.db2.gz KKBAGZJPKUPRQK-MRXNPFEDSA-N 2 0 344.377 3.121 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)nc1Cl)CC2 ZINC001139114922 1377831765 /nfs/dbraw/zinc/83/17/65/1377831765.db2.gz WUQUMTOTZCHDNZ-UHFFFAOYSA-N 2 0 344.684 3.025 20 0 EGADRP O=c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001139471489 1377890477 /nfs/dbraw/zinc/89/04/77/1377890477.db2.gz XRTXYQDUNDBPSD-UXHICEINSA-N 2 0 337.467 3.131 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccncc1Cl ZINC001139847835 1377962624 /nfs/dbraw/zinc/96/26/24/1377962624.db2.gz QXPJEUOYJWJBLG-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cccnn3)C[C@H]21 ZINC001139972438 1377985211 /nfs/dbraw/zinc/98/52/11/1377985211.db2.gz OKSYMIGSYWSDSQ-ATZDWAIDSA-N 2 0 342.512 3.271 20 0 EGADRP Cc1ccc(F)cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001140590112 1378090973 /nfs/dbraw/zinc/09/09/73/1378090973.db2.gz WWPNYSFKRGHRKE-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c(C)c1 ZINC001274643206 1378131646 /nfs/dbraw/zinc/13/16/46/1378131646.db2.gz IJSUWBGLHHCTMB-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccccc1C(F)F)C2 ZINC001275391188 1378139003 /nfs/dbraw/zinc/13/90/03/1378139003.db2.gz HGDFQYCXJFTCIQ-UHFFFAOYSA-N 2 0 337.458 3.084 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC001275609352 1378148315 /nfs/dbraw/zinc/14/83/15/1378148315.db2.gz PYRAIFXPTGSOPT-UHFFFAOYSA-N 2 0 343.515 3.030 20 0 EGADRP c1cc(C[N@H+]2CCC[C@]3(CCCN(Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866992 1378160428 /nfs/dbraw/zinc/16/04/28/1378160428.db2.gz WHBWKFIYOLTTBO-SFHVURJKSA-N 2 0 330.501 3.349 20 0 EGADRP C[NH+]1CC2(C1)CCCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001276492814 1378176082 /nfs/dbraw/zinc/17/60/82/1378176082.db2.gz ZMZVHEXGUUDHJF-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001277473273 1378226651 /nfs/dbraw/zinc/22/66/51/1378226651.db2.gz BOBOTYRWXWCARF-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)NC(C)(C)C)C2)CC1 ZINC001278021934 1378255078 /nfs/dbraw/zinc/25/50/78/1378255078.db2.gz OBSNMJCHKSVSPH-UTKZUKDTSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCCC[C@@H]2C)c1C ZINC001141563666 1378344918 /nfs/dbraw/zinc/34/49/18/1378344918.db2.gz OOVZYAJITORZAD-HNNXBMFYSA-N 2 0 348.535 3.078 20 0 EGADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCCC2(C)C)c1C ZINC001141565109 1378345303 /nfs/dbraw/zinc/34/53/03/1378345303.db2.gz UENPOBFHWYDTCH-UHFFFAOYSA-N 2 0 348.535 3.078 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001280546079 1378353999 /nfs/dbraw/zinc/35/39/99/1378353999.db2.gz VROHVKWBLWQIOQ-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CCc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001280848147 1378385786 /nfs/dbraw/zinc/38/57/86/1378385786.db2.gz IKVLFRMYDXSYAY-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001142623356 1378465847 /nfs/dbraw/zinc/46/58/47/1378465847.db2.gz ZKNZRGXNKWUWBG-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCCC2)CCC1 ZINC001282668230 1378541397 /nfs/dbraw/zinc/54/13/97/1378541397.db2.gz VYABGDSIFSNSCA-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143350049 1378585076 /nfs/dbraw/zinc/58/50/76/1378585076.db2.gz ADJYEDGNGCKSDP-KBPBESRZSA-N 2 0 328.378 3.098 20 0 EGADRP Cc1cccc(CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001146594250 1378873040 /nfs/dbraw/zinc/87/30/40/1378873040.db2.gz SDFPLXSTXRIDIK-MOPGFXCFSA-N 2 0 347.547 3.141 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146593848 1378873239 /nfs/dbraw/zinc/87/32/39/1378873239.db2.gz QQISHEBFJLBJSA-ROUUACIJSA-N 2 0 347.547 3.352 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001146612582 1378878116 /nfs/dbraw/zinc/87/81/16/1378878116.db2.gz QHANFGAADJPEMT-DLBZAZTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146614547 1378878128 /nfs/dbraw/zinc/87/81/28/1378878128.db2.gz YIVNDGFBYIORAS-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146612506 1378878230 /nfs/dbraw/zinc/87/82/30/1378878230.db2.gz PZXINHBKQVZNCX-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146614548 1378879128 /nfs/dbraw/zinc/87/91/28/1378879128.db2.gz YIVNDGFBYIORAS-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001146711496 1378905004 /nfs/dbraw/zinc/90/50/04/1378905004.db2.gz TZWJRBGBGDTKTK-INIZCTEOSA-N 2 0 333.520 3.093 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)C3CC[NH+](CC)CC3)CC2)CC1 ZINC001146783406 1378918164 /nfs/dbraw/zinc/91/81/64/1378918164.db2.gz ZDKRBVQPSUFOLU-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148458403 1379175966 /nfs/dbraw/zinc/17/59/66/1379175966.db2.gz PRFNBDDJCWNPNC-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777134 1379266238 /nfs/dbraw/zinc/26/62/38/1379266238.db2.gz ANXGFAUKQHCLKX-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCCC1CCC1 ZINC001284128597 1379506969 /nfs/dbraw/zinc/50/69/69/1379506969.db2.gz NEVZDZQIAHSMKK-APWZRJJASA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)cc2C)[C@H]1C ZINC001284155233 1379551375 /nfs/dbraw/zinc/55/13/75/1379551375.db2.gz UEGOZRVAENYJMJ-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152149313 1379872071 /nfs/dbraw/zinc/87/20/71/1379872071.db2.gz XDAYHZIUIPXDFJ-CALCHBBNSA-N 2 0 343.515 3.033 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CC2CCC3(CC3)CC2)c1 ZINC001152245959 1379893221 /nfs/dbraw/zinc/89/32/21/1379893221.db2.gz PZKWOODWIHIOMD-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001152432902 1379933753 /nfs/dbraw/zinc/93/37/53/1379933753.db2.gz PVYMUTHWFPIOKS-GFCCVEGCSA-N 2 0 346.302 3.100 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001152464446 1379938888 /nfs/dbraw/zinc/93/88/88/1379938888.db2.gz MIZKYLJQXGKEHJ-UYAOXDASSA-N 2 0 345.531 3.191 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001152479310 1379940741 /nfs/dbraw/zinc/94/07/41/1379940741.db2.gz DYGOCSBQDPYMJL-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313439 1380053937 /nfs/dbraw/zinc/05/39/37/1380053937.db2.gz QVVZXSFYAYIXLK-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001153314263 1380054897 /nfs/dbraw/zinc/05/48/97/1380054897.db2.gz HHEVFECTAIHPNT-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368486 1380065753 /nfs/dbraw/zinc/06/57/53/1380065753.db2.gz QQTHQBQMDAXXDC-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153485218 1380084057 /nfs/dbraw/zinc/08/40/57/1380084057.db2.gz STDHNCYIINPOSW-ZHALLVOQSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819309 1380136815 /nfs/dbraw/zinc/13/68/15/1380136815.db2.gz WCYAOCAFAVNUQU-QZTJIDSGSA-N 2 0 325.541 3.122 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001153850809 1380143803 /nfs/dbraw/zinc/14/38/03/1380143803.db2.gz CVPQRABYDDRMHO-QGZVFWFLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879897 1380149006 /nfs/dbraw/zinc/14/90/06/1380149006.db2.gz ORJOUBSAVSPZNN-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCC1 ZINC001154070178 1380198542 /nfs/dbraw/zinc/19/85/42/1380198542.db2.gz RPECJOIJPZGQJN-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154122696 1380212265 /nfs/dbraw/zinc/21/22/65/1380212265.db2.gz HHSOMLHIDPLFHI-UYAOXDASSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154122693 1380212496 /nfs/dbraw/zinc/21/24/96/1380212496.db2.gz HHSOMLHIDPLFHI-QUCCMNQESA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123369 1380213226 /nfs/dbraw/zinc/21/32/26/1380213226.db2.gz WQZYVHVTOLARJZ-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167727 1380219788 /nfs/dbraw/zinc/21/97/88/1380219788.db2.gz RMPZWWUUCXWTOH-JLAWEPINSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347962 1380261240 /nfs/dbraw/zinc/26/12/40/1380261240.db2.gz PYHSDZQZQJPBOS-MRXNPFEDSA-N 2 0 330.476 3.355 20 0 EGADRP CC[N@H+](Cc1cc2ccccc2s1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999866 1380388078 /nfs/dbraw/zinc/38/80/78/1380388078.db2.gz QUZCMNRTPFGLEC-OAHLLOKOSA-N 2 0 347.528 3.180 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155017194 1380392366 /nfs/dbraw/zinc/39/23/66/1380392366.db2.gz RHAUBPJDAVDKJZ-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2cncc2C2CC[NH2+]CC2)nc1 ZINC001155062510 1380401176 /nfs/dbraw/zinc/40/11/76/1380401176.db2.gz DGJZZHQVJSAZAY-GOSISDBHSA-N 2 0 339.487 3.281 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C1CC1)[NH+](C)C ZINC001155288881 1380433633 /nfs/dbraw/zinc/43/36/33/1380433633.db2.gz DMDYSERXQOAZTE-UZLBHIALSA-N 2 0 345.531 3.231 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCCC1)[NH+](C)C ZINC001155288873 1380433680 /nfs/dbraw/zinc/43/36/80/1380433680.db2.gz DCMMQUTXRZGYMX-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP Cc1ccc2c(c1)nc(Cl)cc2N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375603 1380443223 /nfs/dbraw/zinc/44/32/23/1380443223.db2.gz FWSBYNZKLWPHOS-OAHLLOKOSA-N 2 0 344.890 3.056 20 0 EGADRP CC(C)([NH2+]CC[C@H]1C[NH2+]Cc2cccn2C1)c1ccnc(Cl)c1 ZINC001155463232 1380456701 /nfs/dbraw/zinc/45/67/01/1380456701.db2.gz UOAPVVIDFOCEHO-AWEZNQCLSA-N 2 0 332.879 3.171 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611481 1380473489 /nfs/dbraw/zinc/47/34/89/1380473489.db2.gz FYNDGUFUJSZYAH-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@H](C)c2cncc(Br)c2)C1 ZINC001328083705 1388666202 /nfs/dbraw/zinc/66/62/02/1388666202.db2.gz DYOXMQFUUSSXQB-CHWSQXEVSA-N 2 0 326.282 3.227 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341984 1380561580 /nfs/dbraw/zinc/56/15/80/1380561580.db2.gz PZNCTPBUSVZXAF-YLJYHZDGSA-N 2 0 333.520 3.090 20 0 EGADRP C[NH+](C)C[C@@]12C[C@@H]1CN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001156385967 1380568915 /nfs/dbraw/zinc/56/89/15/1380568915.db2.gz TTXRYZNBLPZGGF-XMSQKQJNSA-N 2 0 346.478 3.473 20 0 EGADRP CC1(C)C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001328097983 1388669898 /nfs/dbraw/zinc/66/98/98/1388669898.db2.gz KFVIUSLCGQNZFZ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2scc(-c3ccccc3)c21 ZINC001157093900 1380773952 /nfs/dbraw/zinc/77/39/52/1380773952.db2.gz IAMQDYSRKLNZAW-UHFFFAOYSA-N 2 0 340.456 3.033 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157950864 1381078966 /nfs/dbraw/zinc/07/89/66/1381078966.db2.gz IGDSMORSZVWRKP-MOPGFXCFSA-N 2 0 337.552 3.362 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158039555 1381109353 /nfs/dbraw/zinc/10/93/53/1381109353.db2.gz SIUZPZNHYFVKIK-PMACEKPBSA-N 2 0 349.563 3.317 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100204 1381127763 /nfs/dbraw/zinc/12/77/63/1381127763.db2.gz XTSQUEVJHLKSLM-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cc1C ZINC001328266101 1388704517 /nfs/dbraw/zinc/70/45/17/1388704517.db2.gz GVDAZHLXPGXXKB-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158437976 1381246673 /nfs/dbraw/zinc/24/66/73/1381246673.db2.gz IXPWLNHIETWOCB-QULHZPMSSA-N 2 0 337.552 3.388 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437943 1381246703 /nfs/dbraw/zinc/24/67/03/1381246703.db2.gz HGIAXRJYHULEAA-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cnc(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c(C[NH3+])c1 ZINC001158449236 1381249419 /nfs/dbraw/zinc/24/94/19/1381249419.db2.gz XXHQMSHKYUKHRB-UHFFFAOYSA-N 2 0 342.462 3.089 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158474342 1381257025 /nfs/dbraw/zinc/25/70/25/1381257025.db2.gz XQDWEYUHTWRXPO-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158604963 1381315921 /nfs/dbraw/zinc/31/59/21/1381315921.db2.gz HCFLXBYMQYOYFQ-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001328282160 1388713501 /nfs/dbraw/zinc/71/35/01/1388713501.db2.gz YBYKWANFJZFLCT-HKUYNNGSSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1 ZINC001158704095 1381360005 /nfs/dbraw/zinc/36/00/05/1381360005.db2.gz BGJYVGNOTKUJKW-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158764830 1381389685 /nfs/dbraw/zinc/38/96/85/1381389685.db2.gz YFOSXEMBLKTRAV-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001158787667 1381400911 /nfs/dbraw/zinc/40/09/11/1381400911.db2.gz YYDVIGYFBJTPOI-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001159334181 1381767968 /nfs/dbraw/zinc/76/79/68/1381767968.db2.gz ACFATXSGVDEMEN-KUMUZEIWSA-N 2 0 343.515 3.060 20 0 EGADRP c1cnc(O[C@@H]2CC[NH2+]C2)c(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001159347049 1381772461 /nfs/dbraw/zinc/77/24/61/1381772461.db2.gz KNECMFJHZZYGKI-GOSISDBHSA-N 2 0 338.455 3.162 20 0 EGADRP c1cnc(O[C@@H]2CC[NH2+]C2)c(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001159347388 1381773212 /nfs/dbraw/zinc/77/32/12/1381773212.db2.gz RPDBHWQFAPJFHD-GOSISDBHSA-N 2 0 338.455 3.162 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(N3CC[NH2+]CC3)cc2)c1F ZINC001159455705 1381798714 /nfs/dbraw/zinc/79/87/14/1381798714.db2.gz QZTIESFVNGSEJJ-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP Cc1cnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c(C)n1 ZINC001159459838 1381799454 /nfs/dbraw/zinc/79/94/54/1381799454.db2.gz GKIGJIMLYPWGFI-UHFFFAOYSA-N 2 0 349.482 3.003 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3ccc(C(C)(C)C[NH3+])cc3)cc2)CC1 ZINC001159579557 1381835398 /nfs/dbraw/zinc/83/53/98/1381835398.db2.gz FTZUPQWUCVSFKF-UHFFFAOYSA-N 2 0 338.499 3.418 20 0 EGADRP CN1CC[NH+](C2(c3ccc(Nc4cccc5c4C[NH2+]C5)cc3)CC2)CC1 ZINC001159766532 1381893891 /nfs/dbraw/zinc/89/38/91/1381893891.db2.gz AKFZRVVCKQZOKJ-UHFFFAOYSA-N 2 0 348.494 3.270 20 0 EGADRP Cc1nc2scc(-c3cccs3)c2c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159786774 1381900440 /nfs/dbraw/zinc/90/04/40/1381900440.db2.gz JUVTWZJBOBMENK-GFCCVEGCSA-N 2 0 333.486 3.164 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1nnc(-c2ccc(F)c(F)c2)c2ccccc21 ZINC001159787592 1381900549 /nfs/dbraw/zinc/90/05/49/1381900549.db2.gz YPPFTPCGNMPJIO-INIZCTEOSA-N 2 0 343.381 3.011 20 0 EGADRP COc1ccc2c(Nc3cccc(N4CC[NH2+]CC4)c3)cc[nH+]c2c1 ZINC001159855540 1381920392 /nfs/dbraw/zinc/92/03/92/1381920392.db2.gz AXZXMLLKHDNCDV-UHFFFAOYSA-N 2 0 334.423 3.397 20 0 EGADRP [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc(C[NH+]4CCCC4)cn3)c2C1 ZINC001159949920 1381946809 /nfs/dbraw/zinc/94/68/09/1381946809.db2.gz SGZGGMDCSWHFBW-QGZVFWFLSA-N 2 0 346.478 3.437 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2cccc(F)c2N2CC[NH2+]CC2)cc1 ZINC001160114723 1382000592 /nfs/dbraw/zinc/00/05/92/1382000592.db2.gz XDRWXJQJHGKCEW-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131030 1382008258 /nfs/dbraw/zinc/00/82/58/1382008258.db2.gz DCMOINIUCHKRCG-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP [NH3+]Cc1ccc2cn(-c3nc(Cl)ccc3C[NH+]3CCCC3)nc2c1 ZINC001160140185 1382013099 /nfs/dbraw/zinc/01/30/99/1382013099.db2.gz IYXZYBBNEVRUHZ-UHFFFAOYSA-N 2 0 341.846 3.128 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001160285577 1382060593 /nfs/dbraw/zinc/06/05/93/1382060593.db2.gz IGQIAIOLOSPGGA-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360718 1382081978 /nfs/dbraw/zinc/08/19/78/1382081978.db2.gz VSHKAETYCREIGW-FQEVSTJZSA-N 2 0 349.563 3.434 20 0 EGADRP c1cc2c(c(Nc3ccc(C4CC[NH2+]CC4)cc3)c1)[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160400271 1382094014 /nfs/dbraw/zinc/09/40/14/1382094014.db2.gz QXADPJSIXQFZCU-YLJYHZDGSA-N 2 0 335.451 3.345 20 0 EGADRP CC1CC(C[N@H+]2CC=C(CCNC(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001160400219 1382094426 /nfs/dbraw/zinc/09/44/26/1382094426.db2.gz LVIMPDPVMBJMFP-LYBXBRPPSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160467446 1382114886 /nfs/dbraw/zinc/11/48/86/1382114886.db2.gz STZQJFHFHUWRSP-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160473489 1382116835 /nfs/dbraw/zinc/11/68/35/1382116835.db2.gz JPQKXUJXIKZKFK-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160499373 1382124553 /nfs/dbraw/zinc/12/45/53/1382124553.db2.gz CGQQUMBQWUCGBH-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccc2cc(Cl)nc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)c2c1 ZINC001160512924 1382127637 /nfs/dbraw/zinc/12/76/37/1382127637.db2.gz GHWMIEWLYHCBBG-SFHVURJKSA-N 2 0 330.863 3.032 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160683185 1382169746 /nfs/dbraw/zinc/16/97/46/1382169746.db2.gz OFTHAAIHTKJTGA-UHFFFAOYSA-N 2 0 340.471 3.132 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160683580 1382170138 /nfs/dbraw/zinc/17/01/38/1382170138.db2.gz VJROVPGTEGRAKX-INIZCTEOSA-N 2 0 340.471 3.132 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)c1ccco1 ZINC001292285493 1382179530 /nfs/dbraw/zinc/17/95/30/1382179530.db2.gz HCTJSVVVWVTJMR-SFHVURJKSA-N 2 0 347.503 3.043 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160779399 1382193620 /nfs/dbraw/zinc/19/36/20/1382193620.db2.gz YGQGDJVCGYXSGH-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)CCCC1 ZINC001160805022 1382202230 /nfs/dbraw/zinc/20/22/30/1382202230.db2.gz YZXIRFRTXHATNS-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H]1CCCC[C@@H]1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001292582133 1382204562 /nfs/dbraw/zinc/20/45/62/1382204562.db2.gz KAWUSJMGBOBSQL-QYZOEREBSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccc(C(F)(F)n2cc(CC[NH3+])c3c[nH+]ccc32)nc1Cl ZINC001160946259 1382247046 /nfs/dbraw/zinc/24/70/46/1382247046.db2.gz YHDRHLDBTFUNHM-UHFFFAOYSA-N 2 0 336.773 3.492 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](CC3CCC3)CC2)C1 ZINC001160985423 1382261759 /nfs/dbraw/zinc/26/17/59/1382261759.db2.gz AARPWLJRJMBBTH-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001161047241 1382283162 /nfs/dbraw/zinc/28/31/62/1382283162.db2.gz WIFJPNKYFYJCBH-LPHOPBHVSA-N 2 0 337.552 3.111 20 0 EGADRP CCOc1cc[nH+]c(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC001161131154 1382312573 /nfs/dbraw/zinc/31/25/73/1382312573.db2.gz KCWHYPSUBCXCGN-UHFFFAOYSA-N 2 0 327.428 3.262 20 0 EGADRP CC(C)(C)C[NH+]1CCC(Nc2cc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001161208829 1382342913 /nfs/dbraw/zinc/34/29/13/1382342913.db2.gz NKPQWWKRBAOLCA-UHFFFAOYSA-N 2 0 336.911 3.303 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)[NH+](CC)CC ZINC001161213850 1382344370 /nfs/dbraw/zinc/34/43/70/1382344370.db2.gz MEGJZPSUYJCKQS-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001161226353 1382347937 /nfs/dbraw/zinc/34/79/37/1382347937.db2.gz FEGQXEJHPCLONZ-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001161227023 1382348841 /nfs/dbraw/zinc/34/88/41/1382348841.db2.gz TWRUWEYAWSACOR-UHFFFAOYSA-N 2 0 347.547 3.211 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383437 1382392059 /nfs/dbraw/zinc/39/20/59/1382392059.db2.gz XPDHRRCQLKXMTJ-SFHVURJKSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390482 1382394101 /nfs/dbraw/zinc/39/41/01/1382394101.db2.gz GLRHZJFKBHYDBJ-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001161438668 1382411016 /nfs/dbraw/zinc/41/10/16/1382411016.db2.gz KWGOLWKDYHZIRQ-KXBFYZLASA-N 2 0 349.494 3.012 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001161497206 1382423189 /nfs/dbraw/zinc/42/31/89/1382423189.db2.gz SZWBOMQXDGKNLV-SFHVURJKSA-N 2 0 343.515 3.228 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161525037 1382430511 /nfs/dbraw/zinc/43/05/11/1382430511.db2.gz RJBUAYITQALYBJ-UHFFFAOYSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001161649573 1382470301 /nfs/dbraw/zinc/47/03/01/1382470301.db2.gz NINWNZHJUPLTCM-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP O=C(NCCC[NH2+]CC/C=C\c1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001161872343 1382535923 /nfs/dbraw/zinc/53/59/23/1382535923.db2.gz BUNPTBHPJZMJIH-WTKPLQERSA-N 2 0 348.450 3.147 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161931344 1382559060 /nfs/dbraw/zinc/55/90/60/1382559060.db2.gz MHOLIADQWYLOAR-UHFFFAOYSA-N 2 0 343.515 3.156 20 0 EGADRP [NH3+][C@H]1CCC[C@H](Nc2nccc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001162392533 1382745921 /nfs/dbraw/zinc/74/59/21/1382745921.db2.gz GRNLDBZGAQJWIB-OALUTQOASA-N 2 0 336.483 3.322 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)nc1 ZINC001162803695 1382877677 /nfs/dbraw/zinc/87/76/77/1382877677.db2.gz UMUAPWGVCYAHCN-GDAAHCPNSA-N 2 0 326.488 3.205 20 0 EGADRP CC[C@@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001162840945 1382891465 /nfs/dbraw/zinc/89/14/65/1382891465.db2.gz JFMPQKGZERVTLF-UYAOXDASSA-N 2 0 347.547 3.034 20 0 EGADRP CC[C@H](C(=O)N(CC[NH2+]CCC(C)C)CCc1ccccc1)[NH+](C)C ZINC001162841111 1382891799 /nfs/dbraw/zinc/89/17/99/1382891799.db2.gz MDWNEFDWOIHTMC-HXUWFJFHSA-N 2 0 347.547 3.034 20 0 EGADRP [NH3+][C@H]1Cc2ccccc2N(c2ccc(F)c(C[NH+]3CCCC3)c2)C1 ZINC001162853935 1382896428 /nfs/dbraw/zinc/89/64/28/1382896428.db2.gz PLYIIXVQDGGWHW-KRWDZBQOSA-N 2 0 325.431 3.443 20 0 EGADRP c1cc2n(c1)C[C@@H](CCNc1cc(N3CCCCC3)cc[nH+]1)C[NH2+]C2 ZINC001163056579 1382956813 /nfs/dbraw/zinc/95/68/13/1382956813.db2.gz SPZDOGHFCSMEKH-KRWDZBQOSA-N 2 0 339.487 3.095 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163332466 1383024209 /nfs/dbraw/zinc/02/42/09/1383024209.db2.gz JWXNTFGKTZRIKM-PZJWPPBQSA-N 2 0 343.515 3.304 20 0 EGADRP COCC[N@H+](C)[C@H](CNc1cccc(N)[nH+]1)c1ccc(Cl)cc1 ZINC001163385640 1383038280 /nfs/dbraw/zinc/03/82/80/1383038280.db2.gz NMMBYYMYVULLFV-OAHLLOKOSA-N 2 0 334.851 3.049 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(CCNC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001163820514 1383125372 /nfs/dbraw/zinc/12/53/72/1383125372.db2.gz FWJFSNOLLGWKNA-PKOBYXMFSA-N 2 0 343.515 3.026 20 0 EGADRP FC(F)Oc1cc[nH+]c(NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001163917071 1383135409 /nfs/dbraw/zinc/13/54/09/1383135409.db2.gz SOGXZJOBOZILPG-UHFFFAOYSA-N 2 0 334.370 3.157 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001164449589 1383187754 /nfs/dbraw/zinc/18/77/54/1383187754.db2.gz NATYPCSAAJASTK-HXUWFJFHSA-N 2 0 345.531 3.021 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)C[NH2+]CC5)[C@@H]3C2)cc1 ZINC001164486437 1383191809 /nfs/dbraw/zinc/19/18/09/1383191809.db2.gz NZQZRPBVIMHRFG-XUVXKRRUSA-N 2 0 348.494 3.050 20 0 EGADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC001164499131 1383193788 /nfs/dbraw/zinc/19/37/88/1383193788.db2.gz LQOUEBARONKRNU-WRGRXTPVSA-N 2 0 336.483 3.424 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164578531 1383201223 /nfs/dbraw/zinc/20/12/23/1383201223.db2.gz FNJJOSRCOYBQMB-AWTIPJNISA-N 2 0 349.563 3.339 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc(C(C)(C)C)cn2)CC1 ZINC001165108804 1383230032 /nfs/dbraw/zinc/23/00/32/1383230032.db2.gz HTAQTZXFUVOUCP-SFHVURJKSA-N 2 0 331.504 3.459 20 0 EGADRP [NH3+]CC1(F)CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1 ZINC001165263706 1383261332 /nfs/dbraw/zinc/26/13/32/1383261332.db2.gz TYYDZISRWCCLHF-UHFFFAOYSA-N 2 0 338.430 3.352 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001165293553 1383267841 /nfs/dbraw/zinc/26/78/41/1383267841.db2.gz PVOJQBZNRAHWSN-UHFFFAOYSA-N 2 0 337.533 3.100 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165304740 1383269835 /nfs/dbraw/zinc/26/98/35/1383269835.db2.gz RLTGOJFMSRRRBJ-AWEZNQCLSA-N 2 0 338.377 3.227 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001165378226 1383282150 /nfs/dbraw/zinc/28/21/50/1383282150.db2.gz ISEGOAWPHNYPMX-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001165718911 1383331571 /nfs/dbraw/zinc/33/15/71/1383331571.db2.gz SPSZFRRMNRMTNA-MAUKXSAKSA-N 2 0 349.494 3.103 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001165765118 1383342244 /nfs/dbraw/zinc/34/22/44/1383342244.db2.gz YVHGUEMNBMXKFV-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1Cl)[NH+](CC)CC ZINC001166433049 1383422006 /nfs/dbraw/zinc/42/20/06/1383422006.db2.gz WBKVFJVEILDFEW-KRWDZBQOSA-N 2 0 339.911 3.056 20 0 EGADRP CC(C)[NH+]1CCC(CNc2ccc(COC3CC[NH2+]CC3)cc2)CC1 ZINC001166623810 1383448855 /nfs/dbraw/zinc/44/88/55/1383448855.db2.gz XPENPIHFAHDPCM-UHFFFAOYSA-N 2 0 345.531 3.488 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001166736478 1383468176 /nfs/dbraw/zinc/46/81/76/1383468176.db2.gz NEGSNCBXNRFWMT-ZWKOTPCHSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001166736973 1383468824 /nfs/dbraw/zinc/46/88/24/1383468824.db2.gz XNAZUCVNTRBIOY-GOSISDBHSA-N 2 0 349.494 3.105 20 0 EGADRP CC(C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166802857 1383479697 /nfs/dbraw/zinc/47/96/97/1383479697.db2.gz MQPPASQMLCNYPS-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001166870083 1383490441 /nfs/dbraw/zinc/49/04/41/1383490441.db2.gz TWIPUVAKTVHUAG-UHFFFAOYSA-N 2 0 349.563 3.031 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001166895778 1383495588 /nfs/dbraw/zinc/49/55/88/1383495588.db2.gz BFBPMZKDGPTOTQ-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167180344 1383560226 /nfs/dbraw/zinc/56/02/26/1383560226.db2.gz XYWBCLPHWOFHOX-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2cc(C)cc(C)c2)CC1)[NH+](C)C ZINC001167251055 1383575099 /nfs/dbraw/zinc/57/50/99/1383575099.db2.gz MYBGWYKAOPAKED-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001167385491 1383619293 /nfs/dbraw/zinc/61/92/93/1383619293.db2.gz GJHRJIAWLZABQR-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426337 1383630600 /nfs/dbraw/zinc/63/06/00/1383630600.db2.gz SHGGZWNGGILING-MOPGFXCFSA-N 2 0 349.563 3.460 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426002 1383630704 /nfs/dbraw/zinc/63/07/04/1383630704.db2.gz NMDVHDGNCFGHBY-FPXQDXNASA-N 2 0 347.547 3.236 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426317 1383631023 /nfs/dbraw/zinc/63/10/23/1383631023.db2.gz RQQLQYLEIBXCEI-ROUUACIJSA-N 2 0 335.536 3.070 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460451 1383639157 /nfs/dbraw/zinc/63/91/57/1383639157.db2.gz BLDQAWLWVBWMMG-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001167470974 1383643031 /nfs/dbraw/zinc/64/30/31/1383643031.db2.gz MGGVFMXNTYDCHZ-UHFFFAOYSA-N 2 0 337.552 3.341 20 0 EGADRP COc1cc2cccnc2c(N(c2c[nH+]cn2C)[C@@H](C)CCC[NH3+])c1 ZINC001167610253 1383688905 /nfs/dbraw/zinc/68/89/05/1383688905.db2.gz DBERMTQDIQIPCG-AWEZNQCLSA-N 2 0 339.443 3.242 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001167626429 1383692643 /nfs/dbraw/zinc/69/26/43/1383692643.db2.gz AIXIWNXQLFXEJL-CRLZUZNUSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001167636856 1383694942 /nfs/dbraw/zinc/69/49/42/1383694942.db2.gz YODUREKDZRWOEF-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001167639922 1383695907 /nfs/dbraw/zinc/69/59/07/1383695907.db2.gz HWFQNRRMXUKZMY-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP CCCC[NH+](CCCC)CCNc1c[nH+]ccc1N1CCOCC1 ZINC001167733087 1383724885 /nfs/dbraw/zinc/72/48/85/1383724885.db2.gz LPKHXCPYWWQSIE-UHFFFAOYSA-N 2 0 334.508 3.232 20 0 EGADRP CCCC[NH+](CCCC)CCNc1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001167733540 1383725037 /nfs/dbraw/zinc/72/50/37/1383725037.db2.gz YXWHPHUWANCLHQ-UHFFFAOYSA-N 2 0 343.519 3.335 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167754726 1383732566 /nfs/dbraw/zinc/73/25/66/1383732566.db2.gz UCEPYJXDFVQKFY-UHFFFAOYSA-N 2 0 346.519 3.074 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167811940 1383746532 /nfs/dbraw/zinc/74/65/32/1383746532.db2.gz COYQDPRIUPNBMP-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ncccc2OC)C1 ZINC001167834761 1383753148 /nfs/dbraw/zinc/75/31/48/1383753148.db2.gz MTVGOAGMBUXVRQ-IAGOWNOFSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001167836370 1383754680 /nfs/dbraw/zinc/75/46/80/1383754680.db2.gz YPTHWQXAKVDKFM-YSIASYRMSA-N 2 0 346.515 3.386 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1cc(C)nc(C)n1)C1CC[NH2+]CC1 ZINC001167836250 1383755051 /nfs/dbraw/zinc/75/50/51/1383755051.db2.gz YJPFVZOIFHRJOU-KRWDZBQOSA-N 2 0 347.551 3.162 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1nc(Cl)c(Cl)cc1C(F)(F)F ZINC001167880440 1383764371 /nfs/dbraw/zinc/76/43/71/1383764371.db2.gz NUORBSHRHDRCGV-UHFFFAOYSA-N 2 0 344.168 3.082 20 0 EGADRP Cc1c(C)c(-c2ccc(Cl)cc2)nnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167881289 1383765262 /nfs/dbraw/zinc/76/52/62/1383765262.db2.gz ZWKTVLJITAYNKM-UHFFFAOYSA-N 2 0 346.866 3.089 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964576 1383780107 /nfs/dbraw/zinc/78/01/07/1383780107.db2.gz SWYRPPNVLSIAHI-SEJPIABJSA-N 3 0 327.516 3.243 20 0 EGADRP c1ccc2c(c1)CCCN2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966366 1383781045 /nfs/dbraw/zinc/78/10/45/1383781045.db2.gz UTKLVYFXTHNMJF-SEJPIABJSA-N 2 0 339.527 3.434 20 0 EGADRP COc1ccc(OC)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167969428 1383782345 /nfs/dbraw/zinc/78/23/45/1383782345.db2.gz CBDDEUYTYDUJKJ-YQQQUEKLSA-N 2 0 344.499 3.241 20 0 EGADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC[NH+](C2CCC2)CC1 ZINC001167974859 1383783925 /nfs/dbraw/zinc/78/39/25/1383783925.db2.gz CKNJUABLMCKCSU-VCSGRIEYSA-N 3 0 331.548 3.246 20 0 EGADRP O[C@]1(C(F)(F)F)CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982877 1383786565 /nfs/dbraw/zinc/78/65/65/1383786565.db2.gz DEDSRNYTYLHCLK-FCLJQHQZSA-N 2 0 346.437 3.171 20 0 EGADRP CCOC(=O)C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984721 1383787555 /nfs/dbraw/zinc/78/75/55/1383787555.db2.gz PXVFIWBSFLYFFK-KAKFPZCNSA-N 2 0 334.504 3.057 20 0 EGADRP Cc1cnc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168007357 1383794652 /nfs/dbraw/zinc/79/46/52/1383794652.db2.gz RTQXDNCQEKPICV-OPVJXMOQSA-N 2 0 338.499 3.359 20 0 EGADRP C[C@@H]1CC([NH2+]CCOc2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012565 1383796961 /nfs/dbraw/zinc/79/69/61/1383796961.db2.gz CCVNEQKTFMDMRP-QZTJIDSGSA-N 2 0 339.483 3.492 20 0 EGADRP CC(C)N1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1=O ZINC001168021555 1383798700 /nfs/dbraw/zinc/79/87/00/1383798700.db2.gz QGYPLBDJDRLWDZ-HNJRGHQBSA-N 2 0 343.515 3.027 20 0 EGADRP C[C@H]1CC([NH2+]C2(CO)CCSCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168030234 1383799996 /nfs/dbraw/zinc/79/99/96/1383799996.db2.gz VDEPQIBGMRNPDA-IRXDYDNUSA-N 2 0 348.556 3.276 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030368 1383800092 /nfs/dbraw/zinc/80/00/92/1383800092.db2.gz NQDGTZRTKJYKIW-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCO[C@@H](C)C2)c1 ZINC001168101312 1383816747 /nfs/dbraw/zinc/81/67/47/1383816747.db2.gz KQZQIIXKDMVGQH-WNHJNPCNSA-N 2 0 332.488 3.335 20 0 EGADRP C[C@H](Cc1ccc(Cl)cc1)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001168190718 1383840174 /nfs/dbraw/zinc/84/01/74/1383840174.db2.gz CICFCLPXKYFEOZ-QGZVFWFLSA-N 2 0 349.950 3.230 20 0 EGADRP CN(C[C@H](O)C[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285326 1383863521 /nfs/dbraw/zinc/86/35/21/1383863521.db2.gz SRHVUSKESHQNDI-CTNGQTDRSA-N 2 0 330.516 3.176 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCN(c3nsc4ccccc43)CC2)CC1 ZINC001168319445 1383871808 /nfs/dbraw/zinc/87/18/08/1383871808.db2.gz TZZIUQKQHQTOGX-UHFFFAOYSA-N 2 0 344.528 3.291 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168322959 1383872434 /nfs/dbraw/zinc/87/24/34/1383872434.db2.gz KQUUPDKNJNVPEA-KLAILNCOSA-N 2 0 339.524 3.096 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168320960 1383872722 /nfs/dbraw/zinc/87/27/22/1383872722.db2.gz WSOWUWHPHDTXBG-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP CN(C(=O)OC(C)(C)C)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168323714 1383873371 /nfs/dbraw/zinc/87/33/71/1383873371.db2.gz BERJVSAZCBDGFJ-UHFFFAOYSA-N 2 0 339.524 3.191 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001168330261 1383874895 /nfs/dbraw/zinc/87/48/95/1383874895.db2.gz ODGCNZJKRVOESF-UHFFFAOYSA-N 2 0 326.484 3.479 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001168330553 1383875168 /nfs/dbraw/zinc/87/51/68/1383875168.db2.gz RWYQCIXGCUGBNB-HAMDTZRPSA-N 2 0 327.516 3.066 20 0 EGADRP Cc1cccc(C[N@@H+]2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168366731 1383885464 /nfs/dbraw/zinc/88/54/64/1383885464.db2.gz ZCGZDHYIAZYMJP-NRFANRHFSA-N 2 0 327.516 3.033 20 0 EGADRP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC001168372145 1383887432 /nfs/dbraw/zinc/88/74/32/1383887432.db2.gz UVHNYRCTTRXHIJ-MRXNPFEDSA-N 2 0 332.513 3.176 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC001168582786 1383941448 /nfs/dbraw/zinc/94/14/48/1383941448.db2.gz GZRXCUWLWXOPMV-ICSRJNTNSA-N 2 0 332.488 3.378 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CCCC1CCC1)C(C)C ZINC001168666806 1383964900 /nfs/dbraw/zinc/96/49/00/1383964900.db2.gz MGNJSYGSTVNCDT-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP COC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001168751454 1383992549 /nfs/dbraw/zinc/99/25/49/1383992549.db2.gz XOIRKJGNRGRLGO-JSOIOWGOSA-N 2 0 344.499 3.220 20 0 EGADRP COC(=O)C1(C)CCC([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001168790123 1384005300 /nfs/dbraw/zinc/00/53/00/1384005300.db2.gz IDFNIBJQTWXMAF-PGYGNJIDSA-N 2 0 336.520 3.449 20 0 EGADRP CC(C)[N@H+]([C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168832175 1384024185 /nfs/dbraw/zinc/02/41/85/1384024185.db2.gz CWJMHKMLRJPCQB-VQHPVUNQSA-N 2 0 339.524 3.365 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1cccc(Br)c1)C2 ZINC001169081767 1384104041 /nfs/dbraw/zinc/10/40/41/1384104041.db2.gz WAOZUFWUFXQSOF-QDMKHBRRSA-N 2 0 339.277 3.043 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C2 ZINC001169094944 1384106231 /nfs/dbraw/zinc/10/62/31/1384106231.db2.gz NVPOBGRBSXOSTI-RDSHKEJNSA-N 2 0 337.508 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3Cl)C1)C2 ZINC001169109016 1384108222 /nfs/dbraw/zinc/10/82/22/1384108222.db2.gz GCUXLOATDXCSKD-FJIDUMEYSA-N 2 0 333.907 3.129 20 0 EGADRP CCOC(=O)CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169128299 1384111137 /nfs/dbraw/zinc/11/11/37/1384111137.db2.gz CLIYUTNHGAPDHZ-BWTSREIZSA-N 2 0 330.472 3.067 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3ccc(F)cc3F)CC1)C2 ZINC001169139608 1384112321 /nfs/dbraw/zinc/11/23/21/1384112321.db2.gz CARVKXDPGMTULQ-MUJYYYPQSA-N 2 0 336.426 3.433 20 0 EGADRP CC1(C)C[C@@H](Nc2cccc(N3CC[NH2+]CC3)c2)C[C@](C)(C[NH3+])C1 ZINC001169151929 1384115864 /nfs/dbraw/zinc/11/58/64/1384115864.db2.gz NNLFVKHZNMGLLA-XLIONFOSSA-N 2 0 330.520 3.052 20 0 EGADRP CC[NH+]1CCC([NH2+]CC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001169230902 1384125359 /nfs/dbraw/zinc/12/53/59/1384125359.db2.gz NXHODXYHZGHNQB-QGZVFWFLSA-N 2 0 339.524 3.240 20 0 EGADRP CC[N@H+]1C[C@@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001169306800 1384134367 /nfs/dbraw/zinc/13/43/67/1384134367.db2.gz FVRBEVUFDLYPLW-VCWRXUFXSA-N 2 0 342.483 3.038 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@H]2CC[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001308740348 1384146245 /nfs/dbraw/zinc/14/62/45/1384146245.db2.gz IPAQCSYHRISJSU-NRSPTQNISA-N 2 0 329.532 3.359 20 0 EGADRP C[NH+]1CCC(CCC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169747778 1384182078 /nfs/dbraw/zinc/18/20/78/1384182078.db2.gz OXWNQUADBAWKLO-FQEVSTJZSA-N 2 0 343.515 3.003 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001169798927 1384187249 /nfs/dbraw/zinc/18/72/49/1384187249.db2.gz SYCKYMGYACBRRH-ICSRJNTNSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809598 1384187828 /nfs/dbraw/zinc/18/78/28/1384187828.db2.gz JGVOCLVLXMQMNO-HKUYNNGSSA-N 2 0 335.536 3.236 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCC2)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926350 1384199014 /nfs/dbraw/zinc/19/90/14/1384199014.db2.gz CQIICRYLUVWWFT-FHWLQOOXSA-N 2 0 336.520 3.434 20 0 EGADRP CC1(C)CC([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC(C)(C)N1O ZINC001169984656 1384211089 /nfs/dbraw/zinc/21/10/89/1384211089.db2.gz OBEDQPRDSCQPOQ-UHFFFAOYSA-N 2 0 349.494 3.486 20 0 EGADRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078469 1384230330 /nfs/dbraw/zinc/23/03/30/1384230330.db2.gz SGMALQQQGRPMDL-VQTJNVASSA-N 2 0 340.552 3.262 20 0 EGADRP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)CCO1 ZINC001170214521 1384267333 /nfs/dbraw/zinc/26/73/33/1384267333.db2.gz PYHLLZSEDCMDQV-XRXFAXGQSA-N 2 0 328.500 3.316 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CC[N@H+](C)CC)c1ccc(Cl)cc1 ZINC001170222991 1384268672 /nfs/dbraw/zinc/26/86/72/1384268672.db2.gz PZWAPNYMEGWYBV-QGZVFWFLSA-N 2 0 339.911 3.229 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001170420848 1384314180 /nfs/dbraw/zinc/31/41/80/1384314180.db2.gz NQAZNNDNIOYNPY-INIZCTEOSA-N 2 0 337.423 3.460 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001170449469 1384321488 /nfs/dbraw/zinc/32/14/88/1384321488.db2.gz NONUNELESNTSCG-KRWDZBQOSA-N 2 0 330.472 3.154 20 0 EGADRP Cc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170526894 1384335742 /nfs/dbraw/zinc/33/57/42/1384335742.db2.gz XZPRMVXWOYGEMZ-UHFFFAOYSA-N 2 0 334.467 3.300 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170559492 1384342068 /nfs/dbraw/zinc/34/20/68/1384342068.db2.gz ACYMLJZNDLSUOR-UXHICEINSA-N 2 0 344.499 3.172 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170750501 1384377971 /nfs/dbraw/zinc/37/79/71/1384377971.db2.gz KWANUXQDPZLBTK-ROUUACIJSA-N 2 0 325.541 3.314 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170750500 1384378232 /nfs/dbraw/zinc/37/82/32/1384378232.db2.gz KWANUXQDPZLBTK-QZTJIDSGSA-N 2 0 325.541 3.314 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170751738 1384378649 /nfs/dbraw/zinc/37/86/49/1384378649.db2.gz UYXXZOVPTFSXJC-FNYRVFDFSA-N 2 0 337.552 3.480 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769255 1384382594 /nfs/dbraw/zinc/38/25/94/1384382594.db2.gz GNBXSIQMLLMRFI-IAGOWNOFSA-N 2 0 343.531 3.264 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170846924 1384397550 /nfs/dbraw/zinc/39/75/50/1384397550.db2.gz BMPDNHYIAIOIOW-IRXDYDNUSA-N 2 0 337.305 3.380 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170851945 1384398353 /nfs/dbraw/zinc/39/83/53/1384398353.db2.gz VTEZZWFJHMIOJW-GUYCJALGSA-N 2 0 337.305 3.238 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861952 1384401013 /nfs/dbraw/zinc/40/10/13/1384401013.db2.gz ISGIXCVXJBALKC-JFIYKMOQSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC001170868215 1384401312 /nfs/dbraw/zinc/40/13/12/1384401312.db2.gz QYOQSSKDAYQFHS-UYAOXDASSA-N 2 0 347.547 3.458 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001170879479 1384403603 /nfs/dbraw/zinc/40/36/03/1384403603.db2.gz XXFXNGYWXFBUGQ-YZGWKJHDSA-N 2 0 349.563 3.482 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@H]2C1 ZINC001170888084 1384405738 /nfs/dbraw/zinc/40/57/38/1384405738.db2.gz BOQXWYBFIKOOFG-JFIYKMOQSA-N 2 0 349.316 3.190 20 0 EGADRP Clc1ccc2c(c1)CC[C@@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001171115747 1384448872 /nfs/dbraw/zinc/44/88/72/1384448872.db2.gz FQYUPADUBMCDRE-LJQANCHMSA-N 2 0 327.859 3.415 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171117816 1384449387 /nfs/dbraw/zinc/44/93/87/1384449387.db2.gz YYPXPTHEPTVZPT-FQEVSTJZSA-N 2 0 349.950 3.157 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001171175730 1384461213 /nfs/dbraw/zinc/46/12/13/1384461213.db2.gz UOOMVHXJJDGLTB-OALUTQOASA-N 2 0 335.536 3.093 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171236578 1384476442 /nfs/dbraw/zinc/47/64/42/1384476442.db2.gz NRVNVUSDARWSJW-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP [NH3+]Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171248791 1384478356 /nfs/dbraw/zinc/47/83/56/1384478356.db2.gz CZOOUZNFQYYHEH-SEJPIABJSA-N 2 0 349.478 3.071 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367898 1384504235 /nfs/dbraw/zinc/50/42/35/1384504235.db2.gz QAMHLDHMGNRPIB-VTFYZGIISA-N 2 0 325.541 3.194 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001171501002 1384543220 /nfs/dbraw/zinc/54/32/20/1384543220.db2.gz PGSWTZFCVMKONX-AZUAARDMSA-N 2 0 347.547 3.408 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001171501983 1384543599 /nfs/dbraw/zinc/54/35/99/1384543599.db2.gz ZFIGSOWEDZZEMH-FXAWDEMLSA-N 2 0 347.547 3.354 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC001171508540 1384545988 /nfs/dbraw/zinc/54/59/88/1384545988.db2.gz FJSRFPJJMLGFGT-UYAOXDASSA-N 2 0 347.547 3.408 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001171509432 1384546459 /nfs/dbraw/zinc/54/64/59/1384546459.db2.gz PZEOUFJMUWYAJC-DLBZAZTESA-N 2 0 327.557 3.418 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171510102 1384547169 /nfs/dbraw/zinc/54/71/69/1384547169.db2.gz YJPJYDWLQVNFDI-GBXWSJCFSA-N 2 0 325.541 3.338 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001171538784 1384556523 /nfs/dbraw/zinc/55/65/23/1384556523.db2.gz ONCOEDUNWCMJTK-AZUAARDMSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171537818 1384556699 /nfs/dbraw/zinc/55/66/99/1384556699.db2.gz HYZASGXKZRFPAG-VQIMIIECSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171546569 1384558666 /nfs/dbraw/zinc/55/86/66/1384558666.db2.gz LHOADPNECRRTNA-FUHWJXTLSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171548001 1384559745 /nfs/dbraw/zinc/55/97/45/1384559745.db2.gz ZKANIUUBVCGYNC-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618892 1384581865 /nfs/dbraw/zinc/58/18/65/1384581865.db2.gz NNAUPUVQMIXDPC-MSOLQXFVSA-N 2 0 348.535 3.219 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646762 1384591982 /nfs/dbraw/zinc/59/19/82/1384591982.db2.gz PHIFWAZHCXLQKE-MOPGFXCFSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669223 1384597203 /nfs/dbraw/zinc/59/72/03/1384597203.db2.gz TVAYNFASWGUCPK-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674835 1384598789 /nfs/dbraw/zinc/59/87/89/1384598789.db2.gz SVCYIFNEUSFKAP-KRWDZBQOSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001171731887 1384618440 /nfs/dbraw/zinc/61/84/40/1384618440.db2.gz PMNFPHSRSYQQIU-QZTJIDSGSA-N 2 0 325.541 3.031 20 0 EGADRP COc1ccc(C2([NH3+])CC[NH+]([C@@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171788733 1384637370 /nfs/dbraw/zinc/63/73/70/1384637370.db2.gz WFLJCWBFZQTWQF-QGZVFWFLSA-N 2 0 340.442 3.252 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171917601 1384680675 /nfs/dbraw/zinc/68/06/75/1384680675.db2.gz ASOFYFSEIQJLMS-KRWDZBQOSA-N 2 0 325.541 3.314 20 0 EGADRP CCOC(=O)C1(C)CCC([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC1 ZINC001171946269 1384691703 /nfs/dbraw/zinc/69/17/03/1384691703.db2.gz JNTIHNFBVYPLSM-UHFFFAOYSA-N 2 0 336.520 3.482 20 0 EGADRP CC1(C)C[C@H](NCc2cn3cccnc3n2)CC[N@@H+]1Cc1ccccc1 ZINC001171965079 1384697574 /nfs/dbraw/zinc/69/75/74/1384697574.db2.gz OAZJTVNJYDNPMX-GOSISDBHSA-N 2 0 349.482 3.262 20 0 EGADRP COC(=O)C1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974122 1384700993 /nfs/dbraw/zinc/70/09/93/1384700993.db2.gz BTKGMOKRVLDJIE-CTWPCTMYSA-N 2 0 344.499 3.218 20 0 EGADRP CC1(C)C[C@@H](n2ccnc2CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171977508 1384701551 /nfs/dbraw/zinc/70/15/51/1384701551.db2.gz RTIONNPANZZADB-SFHVURJKSA-N 2 0 326.488 3.390 20 0 EGADRP C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]12 ZINC001171985933 1384704014 /nfs/dbraw/zinc/70/40/14/1384704014.db2.gz DJFSTRGFXXNERQ-VBSBHUPXSA-N 2 0 328.500 3.396 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001316933694 1384704598 /nfs/dbraw/zinc/70/45/98/1384704598.db2.gz JYEYGGWTAWXJCY-QFBILLFUSA-N 2 0 331.504 3.011 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987316 1384706896 /nfs/dbraw/zinc/70/68/96/1384706896.db2.gz UFQLTCSOTJXBND-IRLDBZIGSA-N 2 0 341.543 3.457 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001316936143 1384708066 /nfs/dbraw/zinc/70/80/66/1384708066.db2.gz RFENCGGQSPQGGH-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cnc(CC[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061605 1384714342 /nfs/dbraw/zinc/71/43/42/1384714342.db2.gz HTSQQGACRWUFPM-PMOLBWCYSA-N 2 0 338.499 3.451 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CC4(COC4)C2)C3)cc1 ZINC001172066485 1384717231 /nfs/dbraw/zinc/71/72/31/1384717231.db2.gz XXIOHDQYOCGPRA-VJDPLVQDSA-N 2 0 326.484 3.341 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCc2cnccn2)C3)cc1 ZINC001172073623 1384720266 /nfs/dbraw/zinc/72/02/66/1384720266.db2.gz SBAGOPMAFMVYJV-MZADTFQBSA-N 2 0 336.483 3.194 20 0 EGADRP COC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076309 1384720598 /nfs/dbraw/zinc/72/05/98/1384720598.db2.gz HUALCANQDRSODM-DSLXNQLJSA-N 2 0 330.472 3.113 20 0 EGADRP [NH3+][C@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172078041 1384721694 /nfs/dbraw/zinc/72/16/94/1384721694.db2.gz XBBRXTYPXBQCRM-UQVNRYHBSA-N 2 0 327.516 3.432 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccc(F)cc1)C2 ZINC001172113383 1384731413 /nfs/dbraw/zinc/73/14/13/1384731413.db2.gz GQFNQHXYCKWMBW-LDLYASANSA-N 2 0 342.462 3.175 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119049 1384733063 /nfs/dbraw/zinc/73/30/63/1384733063.db2.gz RSYAAWYYUSYUAA-YDZRNGNQSA-N 2 0 349.563 3.013 20 0 EGADRP CC[C@@H](CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001172116489 1384733306 /nfs/dbraw/zinc/73/33/06/1384733306.db2.gz HOYGKJLHUOGJOW-LUKYLMHMSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172121284 1384734748 /nfs/dbraw/zinc/73/47/48/1384734748.db2.gz DGUOBMKSXSMFFM-MJUUVYJYSA-N 2 0 327.516 3.381 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CCN(Cc4ccccc4)[C@H]3C1)C2 ZINC001172127212 1384735911 /nfs/dbraw/zinc/73/59/11/1384735911.db2.gz HQWJDOGIHCNNHL-BDHVOXNPSA-N 2 0 339.527 3.208 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@@H]3C2)cc1 ZINC001172227252 1384752421 /nfs/dbraw/zinc/75/24/21/1384752421.db2.gz SCBAFLNFYXSELN-OWBSXZKWSA-N 2 0 326.484 3.150 20 0 EGADRP CC[N@H+](Cc1ccccc1)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172240055 1384754039 /nfs/dbraw/zinc/75/40/39/1384754039.db2.gz FDLMWIVXPZCVOI-SEJPIABJSA-N 2 0 326.484 3.459 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001172319174 1384769136 /nfs/dbraw/zinc/76/91/36/1384769136.db2.gz OYPKQFAQELPTHV-OALUTQOASA-N 2 0 347.547 3.117 20 0 EGADRP CC(C)(C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001317011592 1384775379 /nfs/dbraw/zinc/77/53/79/1384775379.db2.gz CJZCICIODNFWKA-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[N@H+](C)CCCC3CCC3)C2)CC1 ZINC001317040079 1384812858 /nfs/dbraw/zinc/81/28/58/1384812858.db2.gz WHZWUKTXAMHNCZ-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP c1ccc([C@@H]2CC[C@@H]([NH+]3CCN(CC[NH+]4CCCC4)CC3)C2)cc1 ZINC001172569326 1384813407 /nfs/dbraw/zinc/81/34/07/1384813407.db2.gz SIIFMXAOCPJRDJ-NHCUHLMSSA-N 2 0 327.516 3.036 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001317067887 1384837123 /nfs/dbraw/zinc/83/71/23/1384837123.db2.gz IBLYTXFJLIQTOK-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP CCCC[NH+](CCCC)CCC[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172731718 1384840529 /nfs/dbraw/zinc/84/05/29/1384840529.db2.gz CSFJMXCCHBGHID-UHFFFAOYSA-N 2 0 327.513 3.099 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172809013 1384856418 /nfs/dbraw/zinc/85/64/18/1384856418.db2.gz SRKKYKMKLPHYTE-ALOPSCKCSA-N 2 0 337.508 3.014 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])NC1CCC(Cc2ccccc2)CC1 ZINC001172821560 1384858846 /nfs/dbraw/zinc/85/88/46/1384858846.db2.gz JRGGFACUTSOTIF-UHFFFAOYSA-N 2 0 330.520 3.244 20 0 EGADRP CC(C)[NH+]1CCN(CC[NH2+][C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172843076 1384863945 /nfs/dbraw/zinc/86/39/45/1384863945.db2.gz UQCKDUGZEMLLOC-HNNXBMFYSA-N 2 0 341.902 3.026 20 0 EGADRP CO[C@@H]1CCC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001172939512 1384883719 /nfs/dbraw/zinc/88/37/19/1384883719.db2.gz RDIAIEASTGEIFN-JSXRDJHFSA-N 2 0 328.500 3.316 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc(OC3COC3)c2)CC1 ZINC001173102749 1384914929 /nfs/dbraw/zinc/91/49/29/1384914929.db2.gz DNWZCKHJPORKQD-UHFFFAOYSA-N 2 0 332.488 3.207 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCc2cc(OC)ccc2OC)CC1 ZINC001173104821 1384915512 /nfs/dbraw/zinc/91/55/12/1384915512.db2.gz WXQMEQLDDZOTPW-UHFFFAOYSA-N 2 0 334.504 3.489 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccn(CC(F)(F)F)n2)CC1 ZINC001173105744 1384915712 /nfs/dbraw/zinc/91/57/12/1384915712.db2.gz DAVUSNHSEUWVDD-UHFFFAOYSA-N 2 0 332.414 3.188 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC001173107422 1384916092 /nfs/dbraw/zinc/91/60/92/1384916092.db2.gz QSLZNMLSOHVIQT-IOJLRTSASA-N 2 0 343.515 3.144 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CO)Cc2ccc(F)cc2F)CC1 ZINC001173108459 1384916143 /nfs/dbraw/zinc/91/61/43/1384916143.db2.gz LGWNWZKTUBDUKK-LXPRWKDFSA-N 2 0 340.458 3.111 20 0 EGADRP CC[NH+](CC)C1CCC(n2nc(-c3ccncc3)cc2C[NH3+])CC1 ZINC001173107826 1384916548 /nfs/dbraw/zinc/91/65/48/1384916548.db2.gz ORNYMRDGGJJIGK-UHFFFAOYSA-N 2 0 327.476 3.229 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC1 ZINC001173114126 1384917934 /nfs/dbraw/zinc/91/79/34/1384917934.db2.gz XCBIHRBOEJBEIF-LMDPOFIKSA-N 2 0 335.536 3.020 20 0 EGADRP c1nc2c(s1)C[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173137901 1384921680 /nfs/dbraw/zinc/92/16/80/1384921680.db2.gz OHTIPPXGJZHIBD-KSZLIROESA-N 2 0 339.508 3.064 20 0 EGADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001173160214 1384926821 /nfs/dbraw/zinc/92/68/21/1384926821.db2.gz KLHNKFRCQHEZIL-YESZJQIVSA-N 2 0 332.488 3.241 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001173354562 1384963411 /nfs/dbraw/zinc/96/34/11/1384963411.db2.gz PYNKIVUOTBBAER-INIZCTEOSA-N 2 0 341.421 3.049 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001317193934 1384968695 /nfs/dbraw/zinc/96/86/95/1384968695.db2.gz DBFYLNCXBKARNQ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]C1CCC(C[NH+](C)C)CC1)CC2 ZINC001173605321 1384986703 /nfs/dbraw/zinc/98/67/03/1384986703.db2.gz BNKNEVWCDXFMAE-ZCYBBYNQSA-N 2 0 336.520 3.208 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)CC2 ZINC001173613982 1384988419 /nfs/dbraw/zinc/98/84/19/1384988419.db2.gz MLFMJVFMODQGIJ-FFEBTUMSSA-N 2 0 336.520 3.339 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)C1 ZINC001173634699 1384993625 /nfs/dbraw/zinc/99/36/25/1384993625.db2.gz RBXIICIJCVHSHA-MSOLQXFVSA-N 2 0 338.536 3.456 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001173659044 1384998421 /nfs/dbraw/zinc/99/84/21/1384998421.db2.gz YAOLUBNZRLEVJZ-QGZVFWFLSA-N 2 0 343.437 3.296 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC001173723510 1385010032 /nfs/dbraw/zinc/01/00/32/1385010032.db2.gz IIGBTMXFCNHOMQ-BXWFABGCSA-N 2 0 332.488 3.113 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001317356769 1385102682 /nfs/dbraw/zinc/10/26/82/1385102682.db2.gz OPGUHHFCCWBKCY-UXHICEINSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H](CCNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001317404568 1385118184 /nfs/dbraw/zinc/11/81/84/1385118184.db2.gz XCRRJALWIFDYCR-DNVCBOLYSA-N 2 0 349.494 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001174882601 1385164815 /nfs/dbraw/zinc/16/48/15/1385164815.db2.gz UPMGDIQVZVJGRI-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928935 1385171491 /nfs/dbraw/zinc/17/14/91/1385171491.db2.gz NDCDIMPZPCLEIA-JKSUJKDBSA-N 2 0 337.508 3.266 20 0 EGADRP C[C@@H](CCCC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CCC[NH+](C)C ZINC001174947429 1385172768 /nfs/dbraw/zinc/17/27/68/1385172768.db2.gz AWMYBIVFVVSSRV-HOTGVXAUSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@@H](CCCC[NH2+][C@H]1CCc2c1cccc2F)NC(=O)CC[NH+](C)C ZINC001175048065 1385186116 /nfs/dbraw/zinc/18/61/16/1385186116.db2.gz FSEHKTFYXFYYEQ-KXBFYZLASA-N 2 0 349.494 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001175049087 1385186401 /nfs/dbraw/zinc/18/64/01/1385186401.db2.gz OAMZPUPAVWGLHL-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC/C=C\c1ccccc1)NC(=O)CC[NH+](C)C ZINC001175049252 1385186553 /nfs/dbraw/zinc/18/65/53/1385186553.db2.gz RBXVXWDFJODJCI-YXZIBZLCSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262114 1385232251 /nfs/dbraw/zinc/23/22/51/1385232251.db2.gz AZJDRKHCHNNWNI-RTBURBONSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262571 1385233246 /nfs/dbraw/zinc/23/32/46/1385233246.db2.gz HQYCDLICEIWEDN-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001175262303 1385233354 /nfs/dbraw/zinc/23/33/54/1385233354.db2.gz FPNUBOCHTDXWNA-MOPGFXCFSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175297268 1385242873 /nfs/dbraw/zinc/24/28/73/1385242873.db2.gz SLJFFTVHURAXOK-KRWDZBQOSA-N 2 0 327.557 3.275 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001175315550 1385249994 /nfs/dbraw/zinc/24/99/94/1385249994.db2.gz GKCXUKMLLCZTDU-JAGYYFLNSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCc1ccc(C)cc1)[NH+](C)C ZINC001175317840 1385251229 /nfs/dbraw/zinc/25/12/29/1385251229.db2.gz RJAQVLSMDMSJLD-QUCCMNQESA-N 2 0 347.547 3.142 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)c1 ZINC001175318374 1385251998 /nfs/dbraw/zinc/25/19/98/1385251998.db2.gz ZFIGSOWEDZZEMH-XLIONFOSSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1F ZINC001317637026 1385367883 /nfs/dbraw/zinc/36/78/83/1385367883.db2.gz UWWUXLKDDFKHLV-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001175739530 1385391503 /nfs/dbraw/zinc/39/15/03/1385391503.db2.gz QAOQKZYNTXNDFO-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)C(C)C ZINC001175747873 1385394496 /nfs/dbraw/zinc/39/44/96/1385394496.db2.gz VJAWENSWUBNVJJ-ZWKOTPCHSA-N 2 0 327.557 3.273 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001175786773 1385405733 /nfs/dbraw/zinc/40/57/33/1385405733.db2.gz PLAYZBOSHUONSF-XLIONFOSSA-N 2 0 345.531 3.280 20 0 EGADRP OCc1cc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC001175796785 1385408472 /nfs/dbraw/zinc/40/84/72/1385408472.db2.gz PNYHFZGOHCXPOG-UHFFFAOYSA-N 2 0 327.428 3.182 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175871886 1385426106 /nfs/dbraw/zinc/42/61/06/1385426106.db2.gz DDKUKVCPXFKIJN-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873009 1385426991 /nfs/dbraw/zinc/42/69/91/1385426991.db2.gz JFBXQVWSXAICBM-AEFFLSMTSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874354 1385427630 /nfs/dbraw/zinc/42/76/30/1385427630.db2.gz RXBPDCXIYFKTAH-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccccc2OC(F)F)CC1 ZINC001176010259 1385459351 /nfs/dbraw/zinc/45/93/51/1385459351.db2.gz BQTGGRUCSCTCPE-UHFFFAOYSA-N 2 0 334.370 3.178 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176024499 1385464024 /nfs/dbraw/zinc/46/40/24/1385464024.db2.gz PBTAUCBBSGZBKU-LMICACPXSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176110856 1385486174 /nfs/dbraw/zinc/48/61/74/1385486174.db2.gz CTDRSCZGAVGWCS-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165245 1385500633 /nfs/dbraw/zinc/50/06/33/1385500633.db2.gz KGGAFHUZJFNXBO-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165194 1385501253 /nfs/dbraw/zinc/50/12/53/1385501253.db2.gz JCTUIEDACJPGBW-HMTUNPETSA-N 2 0 337.552 3.339 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001176166580 1385501277 /nfs/dbraw/zinc/50/12/77/1385501277.db2.gz SKDDQMZKRKELEM-QUCCMNQESA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231322 1385521850 /nfs/dbraw/zinc/52/18/50/1385521850.db2.gz UGXLFZQHAHHVIQ-SFHVURJKSA-N 2 0 327.557 3.419 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001176292620 1385541409 /nfs/dbraw/zinc/54/14/09/1385541409.db2.gz XVPITIPVDMILNV-UHFFFAOYSA-N 2 0 342.462 3.383 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001318214540 1385630429 /nfs/dbraw/zinc/63/04/29/1385630429.db2.gz GRMSHEXMHLDOJZ-NEWSRXKRSA-N 2 0 343.515 3.011 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001176581826 1385631133 /nfs/dbraw/zinc/63/11/33/1385631133.db2.gz CDQQNWXMWUYWIJ-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[NH+]1CCCC1 ZINC001176592078 1385635567 /nfs/dbraw/zinc/63/55/67/1385635567.db2.gz VFWRSYQSCQLGRX-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176739576 1385677401 /nfs/dbraw/zinc/67/74/01/1385677401.db2.gz WWZZTQKYPAOZTA-VZSQWMKGSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001176754680 1385684737 /nfs/dbraw/zinc/68/47/37/1385684737.db2.gz XYVVMSRIQUJTEZ-LTRVUTJFSA-N 2 0 343.943 3.124 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318429735 1385685950 /nfs/dbraw/zinc/68/59/50/1385685950.db2.gz SMRVEVBNKQEAOL-ZWKOTPCHSA-N 2 0 339.568 3.179 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176759566 1385687044 /nfs/dbraw/zinc/68/70/44/1385687044.db2.gz JZODPCHDMFOOAO-ROUUACIJSA-N 2 0 333.520 3.352 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001176805474 1385707755 /nfs/dbraw/zinc/70/77/55/1385707755.db2.gz JBQFYXBTQQVTEJ-INIZCTEOSA-N 2 0 337.508 3.410 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176856129 1385724940 /nfs/dbraw/zinc/72/49/40/1385724940.db2.gz IRNZLFMKZTWQLH-ROUUACIJSA-N 2 0 345.531 3.279 20 0 EGADRP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CCC1CCCC1 ZINC001318540605 1385744129 /nfs/dbraw/zinc/74/41/29/1385744129.db2.gz KPOGETMWMXVFDC-KRWDZBQOSA-N 2 0 342.487 3.321 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001176996772 1385768378 /nfs/dbraw/zinc/76/83/78/1385768378.db2.gz CPINEKYWOXLUQD-QUCCMNQESA-N 2 0 345.531 3.354 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001176998970 1385769168 /nfs/dbraw/zinc/76/91/68/1385769168.db2.gz OCTITKYXMVKNOX-ICSRJNTNSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001176998992 1385769238 /nfs/dbraw/zinc/76/92/38/1385769238.db2.gz OVVCOHZDMVFKGG-LJQANCHMSA-N 2 0 335.536 3.093 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997683 1385769281 /nfs/dbraw/zinc/76/92/81/1385769281.db2.gz WSYGYUOFXWYAQW-OVKVCFKUSA-N 2 0 337.552 3.339 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@H+](C)CC ZINC001177352650 1385925287 /nfs/dbraw/zinc/92/52/87/1385925287.db2.gz GALKYVRNJOXHEF-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CC[C@@H](C(=O)N(CCC[NH2+]CC[C@@H](C)F)CC1CCCC1)[NH+](C)C ZINC001177415789 1385948999 /nfs/dbraw/zinc/94/89/99/1385948999.db2.gz LOQDAONIDPYOPQ-AEFFLSMTSA-N 2 0 343.531 3.073 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+](CC)CC ZINC001177445963 1385958937 /nfs/dbraw/zinc/95/89/37/1385958937.db2.gz VQBVEVBTYVYRMC-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCCC[NH+](C)C ZINC001177466850 1385966557 /nfs/dbraw/zinc/96/65/57/1385966557.db2.gz GOOJJFDCEYQTAO-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001319124165 1385968173 /nfs/dbraw/zinc/96/81/73/1385968173.db2.gz FAJZAIWZYWHQLD-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488898 1385975952 /nfs/dbraw/zinc/97/59/52/1385975952.db2.gz OBGZZGFOONCZML-GOSISDBHSA-N 2 0 343.531 3.073 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC001178045278 1386115113 /nfs/dbraw/zinc/11/51/13/1386115113.db2.gz HVHLQAFQOUZAAB-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001178045748 1386115819 /nfs/dbraw/zinc/11/58/19/1386115819.db2.gz UMUICFJDSGYQTJ-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001319532672 1386165078 /nfs/dbraw/zinc/16/50/78/1386165078.db2.gz QYDLLCIEQCPJQZ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC001178463363 1386224752 /nfs/dbraw/zinc/22/47/52/1386224752.db2.gz ODQFCAMDSHTHPD-NRFANRHFSA-N 2 0 347.462 3.091 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001178490369 1386234172 /nfs/dbraw/zinc/23/41/72/1386234172.db2.gz LEHIRBKWBCPHIN-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178688472 1386277881 /nfs/dbraw/zinc/27/78/81/1386277881.db2.gz JQSKQPORYAJQCW-SREVYHEPSA-N 2 0 337.552 3.483 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698643 1386281272 /nfs/dbraw/zinc/28/12/72/1386281272.db2.gz PMSXOPFWMQSWCE-OVKVCFKUSA-N 2 0 337.552 3.339 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CCC1CCCC1)C1CC1 ZINC001178698161 1386281453 /nfs/dbraw/zinc/28/14/53/1386281453.db2.gz ADPGEIQOLZIISO-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC001319763648 1386285523 /nfs/dbraw/zinc/28/55/23/1386285523.db2.gz QGJNRWOXJUXZTP-OAHLLOKOSA-N 2 0 344.890 3.338 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808635 1386312910 /nfs/dbraw/zinc/31/29/10/1386312910.db2.gz OZJZJGBZDWOQHK-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001179032062 1386382351 /nfs/dbraw/zinc/38/23/51/1386382351.db2.gz DASDVOWTFFVJDI-LPHOPBHVSA-N 2 0 342.487 3.416 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179146123 1386410423 /nfs/dbraw/zinc/41/04/23/1386410423.db2.gz OZFCXBATZBUQKY-YJBOKZPZSA-N 2 0 328.460 3.107 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001179388484 1386471275 /nfs/dbraw/zinc/47/12/75/1386471275.db2.gz JISQXACZBFZBJR-SXLOBPIMSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001179395010 1386473436 /nfs/dbraw/zinc/47/34/36/1386473436.db2.gz CIBANHORWCLITL-UHFFFAOYSA-N 2 0 349.519 3.267 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179430604 1386482378 /nfs/dbraw/zinc/48/23/78/1386482378.db2.gz ARVWCYFKAKQMQA-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179435019 1386483409 /nfs/dbraw/zinc/48/34/09/1386483409.db2.gz GMDNLNWWUDJTJU-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(Cl)s1 ZINC001179461581 1386487746 /nfs/dbraw/zinc/48/77/46/1386487746.db2.gz QWHXJEXGUALZOE-UHFFFAOYSA-N 2 0 345.940 3.119 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCC2CCCC2)CC1 ZINC001179463321 1386487978 /nfs/dbraw/zinc/48/79/78/1386487978.db2.gz CSODPIHBKBGXOD-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001179482857 1386494935 /nfs/dbraw/zinc/49/49/35/1386494935.db2.gz YPGAPIJUUIJNEZ-ZWOKBUDYSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H]1C)[NH+](CC)CC ZINC001179522030 1386504817 /nfs/dbraw/zinc/50/48/17/1386504817.db2.gz YXNPHYLOZHMVTI-SNRMKQJTSA-N 2 0 349.494 3.025 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001179565879 1386516490 /nfs/dbraw/zinc/51/64/90/1386516490.db2.gz XSOXSXXPJNBYQE-IRXDYDNUSA-N 2 0 331.520 3.121 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001179586561 1386524596 /nfs/dbraw/zinc/52/45/96/1386524596.db2.gz QHPOFESKZRHFHM-SFHVURJKSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]cn1)c1cccc(F)c1 ZINC001179693436 1386556857 /nfs/dbraw/zinc/55/68/57/1386556857.db2.gz ZTUTWDTYUVVHGF-OAHLLOKOSA-N 2 0 346.450 3.119 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001179746265 1386570173 /nfs/dbraw/zinc/57/01/73/1386570173.db2.gz SJWZLBRIUOQFPG-CCCPALQASA-N 2 0 343.943 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001179764265 1386576039 /nfs/dbraw/zinc/57/60/39/1386576039.db2.gz WOIXIDRAKYHBDF-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H]1C ZINC001179765818 1386576866 /nfs/dbraw/zinc/57/68/66/1386576866.db2.gz BMQGYRPLHCFTQU-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1c(C)cccc1C ZINC001179846818 1386605641 /nfs/dbraw/zinc/60/56/41/1386605641.db2.gz XTGVVPWYEHHEDN-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)CC1 ZINC001179864179 1386610957 /nfs/dbraw/zinc/61/09/57/1386610957.db2.gz URDNZABOPDJZBG-HXUWFJFHSA-N 2 0 346.515 3.408 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001179967714 1386652068 /nfs/dbraw/zinc/65/20/68/1386652068.db2.gz IGMKWMALEIZKQA-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCCCCC[NH2+]CC1CC1)c1ccccc1 ZINC001180039917 1386677834 /nfs/dbraw/zinc/67/78/34/1386677834.db2.gz QVRLXEXACWAYDM-FQEVSTJZSA-N 2 0 345.531 3.356 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1c(C)cccc1C ZINC001180120918 1386703116 /nfs/dbraw/zinc/70/31/16/1386703116.db2.gz BYNRYBFUDOQKIY-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC001180124491 1386704970 /nfs/dbraw/zinc/70/49/70/1386704970.db2.gz YAYSOUDZAPGSAQ-SFHVURJKSA-N 2 0 333.520 3.356 20 0 EGADRP C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001698662844 1406314047 /nfs/dbraw/zinc/31/40/47/1406314047.db2.gz NLKDAHCPABDDJJ-NQIIRXRSSA-N 2 0 345.531 3.183 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC001180278858 1386753883 /nfs/dbraw/zinc/75/38/83/1386753883.db2.gz QGVWBOVCIZAQNG-KRWDZBQOSA-N 2 0 349.494 3.249 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180352993 1386772638 /nfs/dbraw/zinc/77/26/38/1386772638.db2.gz XPBMKUFZUQEXQU-WOQGQJNTSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001180372864 1386777598 /nfs/dbraw/zinc/77/75/98/1386777598.db2.gz JOUVWUADNKNQCW-DOOKAGJSSA-N 2 0 343.943 3.126 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180372720 1386778037 /nfs/dbraw/zinc/77/80/37/1386778037.db2.gz IASCMKBJUKCJPG-UEKDZROGSA-N 2 0 337.552 3.483 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001321472389 1386911951 /nfs/dbraw/zinc/91/19/51/1386911951.db2.gz SHRXVZJDCVOKPV-FQEVSTJZSA-N 2 0 345.531 3.361 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001322244663 1387118424 /nfs/dbraw/zinc/11/84/24/1387118424.db2.gz OIHLMIQNUMRUSU-UZLBHIALSA-N 2 0 341.499 3.117 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1)[NH+](CC)CC ZINC001182598579 1387194185 /nfs/dbraw/zinc/19/41/85/1387194185.db2.gz GZRHJHVAFKFLJL-QWFCFKBJSA-N 2 0 337.552 3.147 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614183 1387196321 /nfs/dbraw/zinc/19/63/21/1387196321.db2.gz FJPVQASJUDSSDB-QLUPPNIVSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001698713231 1406355472 /nfs/dbraw/zinc/35/54/72/1406355472.db2.gz ROBFMTWUZYQOGM-AXUOBQJMSA-N 2 0 349.494 3.244 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329462797 1389119228 /nfs/dbraw/zinc/11/92/28/1389119228.db2.gz ZUFWZSZBBDDUPN-LPHOPBHVSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336890024 1389197526 /nfs/dbraw/zinc/19/75/26/1389197526.db2.gz ZOXYNNZJADBABQ-BBTUJRGHSA-N 2 0 338.499 3.343 20 0 EGADRP CCCC[C@H](C[NH2+]Cc1cc(C)cc(C)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001329886034 1389245100 /nfs/dbraw/zinc/24/51/00/1389245100.db2.gz BKXLXMWGNBMRNE-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP O[C@H]1CC[N@@H+](C2CCN(Cc3ccc(-c4ccccc4)s3)CC2)C1 ZINC001330413282 1389405523 /nfs/dbraw/zinc/40/55/23/1389405523.db2.gz UCHKBKPGJMPCHA-SFHVURJKSA-N 2 0 342.508 3.446 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@H](CC)c2ccccc2)CC1 ZINC001331068813 1389619308 /nfs/dbraw/zinc/61/93/08/1389619308.db2.gz NCQGAHFCBDJZKB-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001698749938 1406400485 /nfs/dbraw/zinc/40/04/85/1406400485.db2.gz YDQPOXSLRUNWAV-CRAIPNDOSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H](n2cncn2)C1 ZINC001339191681 1389936629 /nfs/dbraw/zinc/93/66/29/1389936629.db2.gz CHMBKTYKLMFBPM-YTENZGMBSA-N 2 0 345.535 3.395 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[NH2+][C@@H](C)c1ccccc1 ZINC001340222549 1390253046 /nfs/dbraw/zinc/25/30/46/1390253046.db2.gz MIIGELBKDCJTEC-GDAAHCPNSA-N 2 0 343.515 3.153 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC001340514724 1390303249 /nfs/dbraw/zinc/30/32/49/1390303249.db2.gz LPRNXFGVBFQAPA-DLBZAZTESA-N 2 0 329.488 3.196 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCSCCC[NH3+])cc2)C1 ZINC001340802239 1390371370 /nfs/dbraw/zinc/37/13/70/1390371370.db2.gz FBKNXDNXHSWULD-MRXNPFEDSA-N 2 0 349.544 3.329 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001333839729 1390419479 /nfs/dbraw/zinc/41/94/79/1390419479.db2.gz BWMUIOSBKDINJP-IIAWOOMASA-N 2 0 346.906 3.389 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001333890421 1390431068 /nfs/dbraw/zinc/43/10/68/1390431068.db2.gz CLWWKCAPVVLLHQ-BQFCYCMXSA-N 2 0 342.487 3.151 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001341605312 1390508876 /nfs/dbraw/zinc/50/88/76/1390508876.db2.gz MIOBUIABUPBVEX-FCEWJHQRSA-N 2 0 331.504 3.092 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2([NH2+]C)CCC2)c1 ZINC001341718035 1390521496 /nfs/dbraw/zinc/52/14/96/1390521496.db2.gz YXCWDLDSFUZDAI-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](n2cncn2)C1 ZINC001334425993 1390536648 /nfs/dbraw/zinc/53/66/48/1390536648.db2.gz RXLPGIJQBZIIIH-QASGIJCMSA-N 2 0 331.508 3.004 20 0 EGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001335346613 1390674693 /nfs/dbraw/zinc/67/46/93/1390674693.db2.gz ZFTXENFLCREXQF-UTKZUKDTSA-N 2 0 330.516 3.395 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1C[NH2+]CCC12CCC2 ZINC001343540289 1390721483 /nfs/dbraw/zinc/72/14/83/1390721483.db2.gz AWKANIMZOZKWQP-LJQANCHMSA-N 2 0 341.499 3.043 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001345041621 1390832642 /nfs/dbraw/zinc/83/26/42/1390832642.db2.gz BDDYMLFDELLZJY-WOJBJXKFSA-N 2 0 343.515 3.275 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CN3C[C@@](C)(C4CCCC4)CC3=O)C[C@@H]2C1 ZINC001345108202 1390837861 /nfs/dbraw/zinc/83/78/61/1390837861.db2.gz JDONQLPWMXOTMT-FKPGQJDZSA-N 2 0 347.547 3.035 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CN3C[C@@](C)(C4CCCC4)CC3=O)C[C@H]2C1 ZINC001345108205 1390837996 /nfs/dbraw/zinc/83/79/96/1390837996.db2.gz JDONQLPWMXOTMT-ZJSJBZJDSA-N 2 0 347.547 3.035 20 0 EGADRP COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC001345204852 1390847629 /nfs/dbraw/zinc/84/76/29/1390847629.db2.gz PLERSDZAHJGROZ-VQIMIIECSA-N 2 0 342.483 3.309 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)sc2C1 ZINC001345956185 1390897108 /nfs/dbraw/zinc/89/71/08/1390897108.db2.gz MTAOSCMZSZRUNE-BZUAXINKSA-N 2 0 333.545 3.480 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC001346204492 1390915250 /nfs/dbraw/zinc/91/52/50/1390915250.db2.gz UCSADLLJKNZRSK-HXUWFJFHSA-N 2 0 330.447 3.489 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)c(F)c1 ZINC001346289371 1390920114 /nfs/dbraw/zinc/92/01/14/1390920114.db2.gz UAXBEYNXKCNKLH-RDTXWAMCSA-N 2 0 340.870 3.224 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC001347252044 1391040542 /nfs/dbraw/zinc/04/05/42/1391040542.db2.gz HZTASAOTVKUVOH-UHFFFAOYSA-N 2 0 339.483 3.268 20 0 EGADRP Fc1ccccc1-c1cnc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)o1 ZINC001349487350 1391334542 /nfs/dbraw/zinc/33/45/42/1391334542.db2.gz RRTWENYPBYYLML-UHFFFAOYSA-N 2 0 329.419 3.446 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001698809441 1406495629 /nfs/dbraw/zinc/49/56/29/1406495629.db2.gz MCNZCLKUCLPTAL-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001349894784 1391382128 /nfs/dbraw/zinc/38/21/28/1391382128.db2.gz TYTONXPZOFIZFW-RBUKOAKNSA-N 2 0 327.472 3.142 20 0 EGADRP Cn1nc(CCC[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC001350359099 1391452936 /nfs/dbraw/zinc/45/29/36/1391452936.db2.gz PZTTUJKVHDEAIG-MRXNPFEDSA-N 2 0 344.478 3.090 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC001350925727 1391560095 /nfs/dbraw/zinc/56/00/95/1391560095.db2.gz DCHGCDUEJNMPET-VAIUHQNPSA-N 2 0 339.527 3.113 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cn3ccc(-c4ccsc4)n3)C[C@@H]2C1 ZINC001352760947 1391844596 /nfs/dbraw/zinc/84/45/96/1391844596.db2.gz MWTJRBYOMUTQSU-HYVNUMGLSA-N 2 0 330.501 3.231 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC001353527625 1392031799 /nfs/dbraw/zinc/03/17/99/1392031799.db2.gz WHCCYBXPCLNMBZ-YOEHRIQHSA-N 2 0 349.544 3.246 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNc2nccnc2C[NH3+])c1 ZINC001354132432 1392121977 /nfs/dbraw/zinc/12/19/77/1392121977.db2.gz QUWADSVCPQNUHW-UHFFFAOYSA-N 2 0 327.476 3.169 20 0 EGADRP [NH3+]C[C@H](C(=O)N1CCC(Nc2ccccn2)CC1)C1CCCCCC1 ZINC001354684186 1392160973 /nfs/dbraw/zinc/16/09/73/1392160973.db2.gz WQCUDOCSHNTZPS-SFHVURJKSA-N 2 0 344.503 3.030 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001479831162 1392417332 /nfs/dbraw/zinc/41/73/32/1392417332.db2.gz DDNICDQNIPRRGS-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001480121694 1392594749 /nfs/dbraw/zinc/59/47/49/1392594749.db2.gz HFDRDGLKHNVJIW-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001480121728 1392594828 /nfs/dbraw/zinc/59/48/28/1392594828.db2.gz KAXZZZAKDQEUCX-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001480330838 1392689763 /nfs/dbraw/zinc/68/97/63/1392689763.db2.gz JNASZIZHKYZVNH-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001480333334 1392693084 /nfs/dbraw/zinc/69/30/84/1392693084.db2.gz RGWWJUKNVWWSEQ-PMACEKPBSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480733633 1392897259 /nfs/dbraw/zinc/89/72/59/1392897259.db2.gz QEQZMTZRTTYUGL-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480920480 1393021431 /nfs/dbraw/zinc/02/14/31/1393021431.db2.gz QXAFPLZWAPUZMQ-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001480975709 1393060497 /nfs/dbraw/zinc/06/04/97/1393060497.db2.gz ZRUUTPBQRBERQQ-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC1CCC(C)(C)CC1 ZINC001480985552 1393068376 /nfs/dbraw/zinc/06/83/76/1393068376.db2.gz FYZGRZMFNLWGKP-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001481119866 1393124856 /nfs/dbraw/zinc/12/48/56/1393124856.db2.gz RPCNKJCOSDQQRP-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1c(C)cccc1C ZINC001481137149 1393130407 /nfs/dbraw/zinc/13/04/07/1393130407.db2.gz DRTGCPHBQLFNBH-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001698928747 1406665232 /nfs/dbraw/zinc/66/52/32/1406665232.db2.gz LSTFTLIVVPVIND-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+]CCC2CCCCCC2)C2CC2)CCC1 ZINC001490666887 1394290639 /nfs/dbraw/zinc/29/06/39/1394290639.db2.gz AQVZENMONKLCOZ-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001490700914 1394299311 /nfs/dbraw/zinc/29/93/11/1394299311.db2.gz VRHDNWUEZPZDJP-GOSISDBHSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481539369 1394401303 /nfs/dbraw/zinc/40/13/03/1394401303.db2.gz FDLZEEFXYHNBOR-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491109841 1394431315 /nfs/dbraw/zinc/43/13/15/1394431315.db2.gz NHBBGOITUQMOPL-QZTJIDSGSA-N 2 0 343.515 3.060 20 0 EGADRP CC1CC(C[N@@H+]2CCCC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491235333 1394488305 /nfs/dbraw/zinc/48/83/05/1394488305.db2.gz DCCFZWMCWAYICM-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001481748172 1394493038 /nfs/dbraw/zinc/49/30/38/1394493038.db2.gz GUMPDGCDTWXTFD-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481748666 1394493153 /nfs/dbraw/zinc/49/31/53/1394493153.db2.gz JRJXTCZQEODUFI-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001491258192 1394494003 /nfs/dbraw/zinc/49/40/03/1394494003.db2.gz MXWKMKPKVIEEDT-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001481778724 1394523283 /nfs/dbraw/zinc/52/32/83/1394523283.db2.gz NQQYTDJOUISNMS-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001483910933 1395141051 /nfs/dbraw/zinc/14/10/51/1395141051.db2.gz FVNBOUZUZLKQBF-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001483945835 1395156351 /nfs/dbraw/zinc/15/63/51/1395156351.db2.gz JCGBKEDHTYRCBX-RTBURBONSA-N 2 0 337.552 3.410 20 0 EGADRP C[N@H+](CCC(=O)NC1(C)CC[NH+](CC2CCC2)CC1)C1CCCCC1 ZINC001483968740 1395168239 /nfs/dbraw/zinc/16/82/39/1395168239.db2.gz OFXZWXVCTHMRLF-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)CC1CC(C)C1)[NH+](C)C ZINC001484557696 1395439515 /nfs/dbraw/zinc/43/95/15/1395439515.db2.gz QMBNJFXKHOVIDB-UHYCVJNDSA-N 2 0 345.531 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCC1 ZINC001484743623 1395499649 /nfs/dbraw/zinc/49/96/49/1395499649.db2.gz DTFNDSMKSXGXFI-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001484987610 1395631598 /nfs/dbraw/zinc/63/15/98/1395631598.db2.gz DCNZXQDQUOWHHL-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CN(CC[N@H+](C)CCC1CCCC1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001698988525 1406774867 /nfs/dbraw/zinc/77/48/67/1406774867.db2.gz FLPPAUWVSMPNIZ-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001485387075 1395874696 /nfs/dbraw/zinc/87/46/96/1395874696.db2.gz CPRJXJXNFKVRID-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001485815064 1396157666 /nfs/dbraw/zinc/15/76/66/1396157666.db2.gz GBDMRWQSFDQCLQ-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001486211713 1396183321 /nfs/dbraw/zinc/18/33/21/1396183321.db2.gz XPUUWXCYPUFLET-UXHICEINSA-N 2 0 345.531 3.020 20 0 EGADRP CCC(CC)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001687428799 1396370097 /nfs/dbraw/zinc/37/00/97/1396370097.db2.gz RASAXOXYQMSFEB-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156046 1396388145 /nfs/dbraw/zinc/38/81/45/1396388145.db2.gz FCLWOCPLLMEALX-DLBZAZTESA-N 2 0 349.494 3.009 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001494170124 1396394836 /nfs/dbraw/zinc/39/48/36/1396394836.db2.gz AFBCOBKMTBEUDP-IAGOWNOFSA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001496293665 1396635860 /nfs/dbraw/zinc/63/58/60/1396635860.db2.gz JJNGBEKWUFTYFP-FQEVSTJZSA-N 2 0 345.531 3.039 20 0 EGADRP CC[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC001496319004 1396646512 /nfs/dbraw/zinc/64/65/12/1396646512.db2.gz WOOGJDKIYLMWNM-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001689902852 1404196276 /nfs/dbraw/zinc/19/62/76/1404196276.db2.gz NTYMTGSITDTKKS-VQIMIIECSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001689902849 1404196669 /nfs/dbraw/zinc/19/66/69/1404196669.db2.gz NTYMTGSITDTKKS-APWZRJJASA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001690215939 1404424524 /nfs/dbraw/zinc/42/45/24/1404424524.db2.gz FEGQOKAVJWQUSC-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001690295035 1404455275 /nfs/dbraw/zinc/45/52/75/1404455275.db2.gz IHDKXNOHCLJKIJ-NSISKUIASA-N 2 0 345.531 3.450 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001690484335 1404600972 /nfs/dbraw/zinc/60/09/72/1404600972.db2.gz OVMJOEKQMBWHQQ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001690484097 1404601209 /nfs/dbraw/zinc/60/12/09/1404601209.db2.gz FNQMGAQWMBMIMT-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690501382 1404613924 /nfs/dbraw/zinc/61/39/24/1404613924.db2.gz KKNCJUIADVLAAZ-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001690606776 1404650174 /nfs/dbraw/zinc/65/01/74/1404650174.db2.gz UYOFBAZQBQFVQC-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C/Cl)C2)ccc2c[nH+]cn21 ZINC001690774190 1404722836 /nfs/dbraw/zinc/72/28/36/1404722836.db2.gz DVRGJTNDMVABTO-PXQLCEJZSA-N 2 0 346.862 3.026 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001690822960 1404758652 /nfs/dbraw/zinc/75/86/52/1404758652.db2.gz OXSWVFOKXLFUBH-LJQANCHMSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1F ZINC001691021461 1404935061 /nfs/dbraw/zinc/93/50/61/1404935061.db2.gz AWGLUOVAWWJWGP-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C)cc1C ZINC001691055852 1404976937 /nfs/dbraw/zinc/97/69/37/1404976937.db2.gz JFGMYNVKMPEIKZ-UHFFFAOYSA-N 2 0 345.531 3.118 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001691143006 1405076291 /nfs/dbraw/zinc/07/62/91/1405076291.db2.gz ILMGETKLJUMMJY-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)NCC[N@H+](CC2CCCCCC2)C2CC2)CC1 ZINC001691230515 1405169873 /nfs/dbraw/zinc/16/98/73/1405169873.db2.gz HJQGVLOLSAZEBR-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001691317580 1405203859 /nfs/dbraw/zinc/20/38/59/1405203859.db2.gz ZMZXVOMDXZVIDY-MOPGFXCFSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691447258 1405274805 /nfs/dbraw/zinc/27/48/05/1405274805.db2.gz VSFYPASJIGLKIX-GNBUJSLZSA-N 2 0 345.531 3.127 20 0 EGADRP CCC[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001691795928 1405507335 /nfs/dbraw/zinc/50/73/35/1405507335.db2.gz AONXCEVXXDWULM-HXUWFJFHSA-N 2 0 339.483 3.219 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001692011206 1405728841 /nfs/dbraw/zinc/72/88/41/1405728841.db2.gz JSNQKKJQBRLJNU-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698552444 1406150016 /nfs/dbraw/zinc/15/00/16/1406150016.db2.gz NGVPYYDGMKVIQW-OOFWQKGWSA-N 2 0 335.536 3.045 20 0 EGADRP CCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001698586984 1406204804 /nfs/dbraw/zinc/20/48/04/1406204804.db2.gz MCWPGVPRNGLWQJ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCc1cccc(C[N@H+]2CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C2)c1 ZINC001698588680 1406208521 /nfs/dbraw/zinc/20/85/21/1406208521.db2.gz RXYHHJQLNPHPQO-UXHICEINSA-N 2 0 345.531 3.012 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001732019902 1428236999 /nfs/dbraw/zinc/23/69/99/1428236999.db2.gz MVKGENINLGSDPZ-GOSISDBHSA-N 2 0 331.504 3.106 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001732186014 1428435153 /nfs/dbraw/zinc/43/51/53/1428435153.db2.gz QGBGXASFEMSQRG-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)c1ccccc1C ZINC001732203953 1428453781 /nfs/dbraw/zinc/45/37/81/1428453781.db2.gz JQNSYXMMSNUYLZ-QZTJIDSGSA-N 2 0 343.515 3.169 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001732347627 1428543575 /nfs/dbraw/zinc/54/35/75/1428543575.db2.gz CIIYHUNASZDQOF-ZWKOTPCHSA-N 2 0 343.515 3.026 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C(=O)CCC[NH+](C)C ZINC001732436591 1428580333 /nfs/dbraw/zinc/58/03/33/1428580333.db2.gz IRCOGNDUQMRMKG-KRWDZBQOSA-N 2 0 347.547 3.262 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699114382 1412516313 /nfs/dbraw/zinc/51/63/13/1412516313.db2.gz GIXATDIWVCLFBK-UZLBHIALSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001699380172 1412689139 /nfs/dbraw/zinc/68/91/39/1412689139.db2.gz BBXIPISPAIUWSG-VQIMIIECSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001699417288 1412731246 /nfs/dbraw/zinc/73/12/46/1412731246.db2.gz FWSWREAIDNXVFD-JJRVBVJISA-N 2 0 339.911 3.082 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001699482171 1412876709 /nfs/dbraw/zinc/87/67/09/1412876709.db2.gz PLAKSTDQNSUMQQ-QUCCMNQESA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001699687206 1413087096 /nfs/dbraw/zinc/08/70/96/1413087096.db2.gz AQBXCAGANOFODU-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1nccn1CCCC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001699856850 1413288240 /nfs/dbraw/zinc/28/82/40/1413288240.db2.gz XZEOCKSIWLFAMB-FXAWDEMLSA-N 2 0 348.535 3.235 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001700132445 1413548814 /nfs/dbraw/zinc/54/88/14/1413548814.db2.gz APDAORCWYIDWDN-GOSISDBHSA-N 2 0 347.547 3.070 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001700203515 1413648694 /nfs/dbraw/zinc/64/86/94/1413648694.db2.gz RVXLQWPQOMAEIY-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC(C)(C)C ZINC001700318992 1413782311 /nfs/dbraw/zinc/78/23/11/1413782311.db2.gz XVOBRLBVWNKASL-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)[C@@H](C)C1 ZINC001700321081 1413786682 /nfs/dbraw/zinc/78/66/82/1413786682.db2.gz WNOJWBKZJOITKJ-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700365049 1413887288 /nfs/dbraw/zinc/88/72/88/1413887288.db2.gz XIUFSYNPSGJGDA-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CC2)CCCCC1 ZINC001700529691 1414195624 /nfs/dbraw/zinc/19/56/24/1414195624.db2.gz ZJKWHLLWOCUQKW-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001700555198 1414225327 /nfs/dbraw/zinc/22/53/27/1414225327.db2.gz PKRNGKVMNSTFGR-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001700556046 1414225816 /nfs/dbraw/zinc/22/58/16/1414225816.db2.gz VTXOJZNTYMYNOL-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2C)CC1 ZINC001700696809 1414355480 /nfs/dbraw/zinc/35/54/80/1414355480.db2.gz PKUKQGOUBBJLRZ-GOSISDBHSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H]1C ZINC001700826742 1414482431 /nfs/dbraw/zinc/48/24/31/1414482431.db2.gz UAQYIIZHHFVVIF-UYAOXDASSA-N 2 0 345.531 3.033 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001707161492 1417225754 /nfs/dbraw/zinc/22/57/54/1417225754.db2.gz YBYKHGVPZZGRFT-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](Cc2ccccc2CC)CC1 ZINC001713056615 1417610561 /nfs/dbraw/zinc/61/05/61/1417610561.db2.gz IOSKPXAYBRUZTR-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC[NH+](CC2CC2)CC1 ZINC001713101182 1417654771 /nfs/dbraw/zinc/65/47/71/1417654771.db2.gz PHIHGZOLHIHZOY-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713134406 1417712771 /nfs/dbraw/zinc/71/27/71/1417712771.db2.gz MZZHZBSZKUHNLX-IBGZPJMESA-N 2 0 345.531 3.007 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001713259157 1417866052 /nfs/dbraw/zinc/86/60/52/1417866052.db2.gz MOMHCIBNJRHNOV-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001713265571 1417873436 /nfs/dbraw/zinc/87/34/36/1417873436.db2.gz LIWFLBPPJOMLHL-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001713399965 1418020943 /nfs/dbraw/zinc/02/09/43/1418020943.db2.gz WVGOFPDNJISYGE-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1c(C(=O)NCC[C@@H](C)[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001713411860 1418035095 /nfs/dbraw/zinc/03/50/95/1418035095.db2.gz UJVWZNVXGLHETM-OAHLLOKOSA-N 2 0 342.487 3.321 20 0 EGADRP Cc1cccc(C)c1C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001713469170 1418135057 /nfs/dbraw/zinc/13/50/57/1418135057.db2.gz BLYIYZBREUMBKO-HXUWFJFHSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](CC1CCC(C)(C)CC1)C1CC1)[NH+](C)C ZINC001713565084 1418373792 /nfs/dbraw/zinc/37/37/92/1418373792.db2.gz XQRXIIKTSXVFIX-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001713714457 1418478239 /nfs/dbraw/zinc/47/82/39/1418478239.db2.gz DYTKOBLIBXMLDB-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001713720296 1418491009 /nfs/dbraw/zinc/49/10/09/1418491009.db2.gz SSZLWWTVIOFQMM-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001713785527 1418602508 /nfs/dbraw/zinc/60/25/08/1418602508.db2.gz IVAXOHOBTIGTAK-UHFFFAOYSA-N 2 0 345.531 3.150 20 0 EGADRP CCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714053368 1418852162 /nfs/dbraw/zinc/85/21/62/1418852162.db2.gz KKPPQFMCSNTOAT-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](CNC(=O)CCc1c[nH]cn1)[NH2+][C@H](C)c1ccccc1Cl ZINC001714080916 1418874442 /nfs/dbraw/zinc/87/44/42/1418874442.db2.gz SUYDNUFJVFIYSM-ZIAGYGMSSA-N 2 0 348.878 3.241 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001714110155 1418911610 /nfs/dbraw/zinc/91/16/10/1418911610.db2.gz XSLGCJUJNMUXQY-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1C ZINC001714117566 1418920730 /nfs/dbraw/zinc/92/07/30/1418920730.db2.gz ZDFCWTAQCUFPEA-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001714134656 1418937548 /nfs/dbraw/zinc/93/75/48/1418937548.db2.gz IYZYLDSYVHKSIN-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]CC1CCCCCC1 ZINC001714426908 1419161162 /nfs/dbraw/zinc/16/11/62/1419161162.db2.gz PDSAHMYXWBQFCN-KRWDZBQOSA-N 2 0 339.568 3.277 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001714569549 1419299171 /nfs/dbraw/zinc/29/91/71/1419299171.db2.gz NTPPAEGTQBSYGI-GOSISDBHSA-N 2 0 345.531 3.224 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]cn1)[C@@H](C)c1ccccc1C ZINC001714593036 1419341305 /nfs/dbraw/zinc/34/13/05/1419341305.db2.gz CYBKVFFCQKAMKI-SJORKVTESA-N 2 0 342.487 3.096 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1F ZINC001714655510 1419436481 /nfs/dbraw/zinc/43/64/81/1419436481.db2.gz DXVDIOITCJYMEM-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](CC2CCCCC2)C2CC2)C1 ZINC001714669124 1419458424 /nfs/dbraw/zinc/45/84/24/1419458424.db2.gz PGRDMSJIRNKBGT-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001714748931 1419492650 /nfs/dbraw/zinc/49/26/50/1419492650.db2.gz FNJGIGMWGIHZEH-QGZVFWFLSA-N 2 0 345.531 3.261 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001714757779 1419496509 /nfs/dbraw/zinc/49/65/09/1419496509.db2.gz VWVPXFTZRZNABU-QGZVFWFLSA-N 2 0 341.499 3.291 20 0 EGADRP CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001714833590 1419544653 /nfs/dbraw/zinc/54/46/53/1419544653.db2.gz SIMQCBJURHWPMM-OALUTQOASA-N 2 0 333.520 3.163 20 0 EGADRP CCc1ccc(C[N@H+]2CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001715043610 1419783238 /nfs/dbraw/zinc/78/32/38/1419783238.db2.gz FONAGTFOUUINLC-PMACEKPBSA-N 2 0 345.531 3.012 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](CC)c1ccccc1 ZINC001715089721 1419830290 /nfs/dbraw/zinc/83/02/90/1419830290.db2.gz YWUOPUJTRBZCPB-WOJBJXKFSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715317198 1420025714 /nfs/dbraw/zinc/02/57/14/1420025714.db2.gz TWUCWHVBELSIEP-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001715519605 1420205648 /nfs/dbraw/zinc/20/56/48/1420205648.db2.gz HQBYLOQPYCSOSB-FQEVSTJZSA-N 2 0 345.531 3.066 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCC(C)(C)C)C2)CC1 ZINC001715542183 1420240414 /nfs/dbraw/zinc/24/04/14/1420240414.db2.gz DLCJVKDWXITNDB-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCC1 ZINC001715875095 1420378387 /nfs/dbraw/zinc/37/83/87/1420378387.db2.gz VLFFZFYTXRAIAP-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc2ccccc2c1)C(=O)CCC[NH+](C)C ZINC001715938112 1420408638 /nfs/dbraw/zinc/40/86/38/1420408638.db2.gz IGRYFVLGZWNBHG-UHFFFAOYSA-N 2 0 341.499 3.072 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001716018877 1420473635 /nfs/dbraw/zinc/47/36/35/1420473635.db2.gz BMUKUIHRQMTFCE-QGZVFWFLSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001716501124 1420727887 /nfs/dbraw/zinc/72/78/87/1420727887.db2.gz ALJGUMRIHMRBIR-SJORKVTESA-N 2 0 345.531 3.015 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001716518132 1420747323 /nfs/dbraw/zinc/74/73/23/1420747323.db2.gz LKZKZGWTUXOKIL-OALUTQOASA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001716662918 1420816465 /nfs/dbraw/zinc/81/64/65/1420816465.db2.gz OUYCIFXZTWIXCB-RTBURBONSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CCCCCC1 ZINC001716713632 1420867592 /nfs/dbraw/zinc/86/75/92/1420867592.db2.gz LYHQTWJCCZFOBI-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001716764311 1420910605 /nfs/dbraw/zinc/91/06/05/1420910605.db2.gz NACJSLUCQYTTJL-ZPPSIVDRSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716763849 1420910699 /nfs/dbraw/zinc/91/06/99/1420910699.db2.gz HCWIIDDMHUNFCH-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001716843507 1420969772 /nfs/dbraw/zinc/96/97/72/1420969772.db2.gz OBTHXPWZMIUMOE-DYESRHJHSA-N 2 0 343.515 3.121 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001716877647 1421003011 /nfs/dbraw/zinc/00/30/11/1421003011.db2.gz FEAUGNGAEXNTEM-OXQOHEQNSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001716880528 1421004741 /nfs/dbraw/zinc/00/47/41/1421004741.db2.gz OTGMHKRCBBUPFJ-OXJNMPFZSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1)c1ccccc1 ZINC001717125223 1421127395 /nfs/dbraw/zinc/12/73/95/1421127395.db2.gz GHKDAIHBNDLYET-MISYRCLQSA-N 2 0 345.531 3.352 20 0 EGADRP C[C@@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717145437 1421137972 /nfs/dbraw/zinc/13/79/72/1421137972.db2.gz GBVLDLYKKKRFEE-VQIMIIECSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001717197561 1421164341 /nfs/dbraw/zinc/16/43/41/1421164341.db2.gz AVHLDRGHUWCELF-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001717206083 1421176345 /nfs/dbraw/zinc/17/63/45/1421176345.db2.gz BHLTZKVEKFYJNA-HXUWFJFHSA-N 2 0 345.531 3.148 20 0 EGADRP Cc1ccccc1C[NH2+]C1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001717447608 1421377272 /nfs/dbraw/zinc/37/72/72/1421377272.db2.gz VACTUCITUXVQEU-UHFFFAOYSA-N 2 0 345.531 3.196 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717457668 1421386782 /nfs/dbraw/zinc/38/67/82/1421386782.db2.gz OXVRNEFJWRNZGT-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001717748084 1421610789 /nfs/dbraw/zinc/61/07/89/1421610789.db2.gz AFLJKVMLARNIEQ-OALUTQOASA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@H](CC)c2ccccc2)C1 ZINC001717998713 1421766149 /nfs/dbraw/zinc/76/61/49/1421766149.db2.gz HRMMPSITRFPSTA-CTWPCTMYSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)C[C@@H]1C ZINC001733336402 1429521591 /nfs/dbraw/zinc/52/15/91/1429521591.db2.gz UGQDAPYWAAOXIS-FUHWJXTLSA-N 2 0 349.494 3.027 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001733348111 1429529112 /nfs/dbraw/zinc/52/91/12/1429529112.db2.gz YFEBXYSTXTWNNJ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001733362686 1429548403 /nfs/dbraw/zinc/54/84/03/1429548403.db2.gz JKNYCTNHFIBIKQ-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC1CC1)C2)CC(C)(C)C ZINC001723691250 1424532501 /nfs/dbraw/zinc/53/25/01/1424532501.db2.gz OJCKRMKMHGJAKI-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723726236 1424550535 /nfs/dbraw/zinc/55/05/35/1424550535.db2.gz FLQULARTGYJLDI-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723726238 1424550977 /nfs/dbraw/zinc/55/09/77/1424550977.db2.gz FLQULARTGYJLDI-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001724021482 1424631067 /nfs/dbraw/zinc/63/10/67/1424631067.db2.gz CZBPFYIFSZKJTQ-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001724295290 1424780525 /nfs/dbraw/zinc/78/05/25/1424780525.db2.gz PNXNDCGYQLZVGJ-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001724847255 1425201939 /nfs/dbraw/zinc/20/19/39/1425201939.db2.gz VWZHOZSPTZQKFY-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@H+](C)CCCC(C)(C)C)CC1 ZINC001725048974 1425480146 /nfs/dbraw/zinc/48/01/46/1425480146.db2.gz QMJRLYJMOATKNS-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001725197131 1425751605 /nfs/dbraw/zinc/75/16/05/1425751605.db2.gz SGAGUSSJCFALJT-ROUUACIJSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](CCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001725402522 1426046286 /nfs/dbraw/zinc/04/62/86/1426046286.db2.gz UFUILNMMLVFCLQ-NYLSAYAHSA-N 2 0 343.515 3.059 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001731351324 1427290107 /nfs/dbraw/zinc/29/01/07/1427290107.db2.gz YUTIQCXBGOHPFZ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+](Cc2cc(C)ccc2C)CC1)[NH+](C)C ZINC001731352816 1427292348 /nfs/dbraw/zinc/29/23/48/1427292348.db2.gz XAXNXQUYEHAGFI-HXUWFJFHSA-N 2 0 345.531 3.066 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001731629767 1427681077 /nfs/dbraw/zinc/68/10/77/1427681077.db2.gz SSSBMOHTAOLYJT-PXNSSMCTSA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001731705958 1427759241 /nfs/dbraw/zinc/75/92/41/1427759241.db2.gz XRRZPHSXQTWMFW-HXUWFJFHSA-N 2 0 345.531 3.106 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731711854 1427771321 /nfs/dbraw/zinc/77/13/21/1427771321.db2.gz DLLHZCGIVDCIEU-IBGZPJMESA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001731721655 1427792403 /nfs/dbraw/zinc/79/24/03/1427792403.db2.gz XCAAKXJBRXFXPT-SFHVURJKSA-N 2 0 339.568 3.467 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCC(C)(C)CC2)CCC1 ZINC001731830314 1428039192 /nfs/dbraw/zinc/03/91/92/1428039192.db2.gz ZNWYHOLPWCQBCK-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCC(C)(C)CC2)CCC1 ZINC001731830316 1428039257 /nfs/dbraw/zinc/03/92/57/1428039257.db2.gz ZNWYHOLPWCQBCK-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001734054487 1437844913 /nfs/dbraw/zinc/84/49/13/1437844913.db2.gz TVMYIJMPIGPJGN-KRWDZBQOSA-N 2 0 347.547 3.163 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060088 1437853376 /nfs/dbraw/zinc/85/33/76/1437853376.db2.gz SMLMHADJXUFSMH-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001734062526 1437856691 /nfs/dbraw/zinc/85/66/91/1437856691.db2.gz RFAPNJLGKNWADO-LPHOPBHVSA-N 2 0 347.547 3.261 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001734121275 1437901700 /nfs/dbraw/zinc/90/17/00/1437901700.db2.gz IMHNPQZAWYKPKJ-SJORKVTESA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001752072393 1440138186 /nfs/dbraw/zinc/13/81/86/1440138186.db2.gz CFJFEYFEKYGXIV-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001752098487 1440140564 /nfs/dbraw/zinc/14/05/64/1440140564.db2.gz JGQQCQSNJXRNON-RBUKOAKNSA-N 2 0 345.531 3.144 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC[N@H+](CC2CC3(CCC3)C2)C2CC2)CCC1 ZINC001752261705 1440162096 /nfs/dbraw/zinc/16/20/96/1440162096.db2.gz QUYORWMXJRGLKP-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001752432596 1440179134 /nfs/dbraw/zinc/17/91/34/1440179134.db2.gz VPYKARVFVJXJLI-YSKLNCTFSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752525736 1440192697 /nfs/dbraw/zinc/19/26/97/1440192697.db2.gz NVVGJJQRBOFIPU-IBGZPJMESA-N 2 0 345.531 3.332 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752687207 1440200026 /nfs/dbraw/zinc/20/00/26/1440200026.db2.gz JGAYMDKFVZRJJR-GUDVDZBRSA-N 2 0 343.515 3.169 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001752691396 1440200516 /nfs/dbraw/zinc/20/05/16/1440200516.db2.gz JRYBIYYOIQPZFN-FOUKWCRFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC001752706871 1440202700 /nfs/dbraw/zinc/20/27/00/1440202700.db2.gz KKQPLHFDEUJZFC-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001752790121 1440213588 /nfs/dbraw/zinc/21/35/88/1440213588.db2.gz SFKOORVXXFJJHK-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752804847 1440215513 /nfs/dbraw/zinc/21/55/13/1440215513.db2.gz UAQICZWVGNKOCM-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001752805656 1440215844 /nfs/dbraw/zinc/21/58/44/1440215844.db2.gz VEDWLKTZRVLVBL-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001752815787 1440217960 /nfs/dbraw/zinc/21/79/60/1440217960.db2.gz SOEDLHHHJKJKDB-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752835543 1440227448 /nfs/dbraw/zinc/22/74/48/1440227448.db2.gz GHXMYIQTXNENGE-SJORKVTESA-N 2 0 337.552 3.265 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752841456 1440230752 /nfs/dbraw/zinc/23/07/52/1440230752.db2.gz QUMARCUQSRWMMR-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP O=C(NC1CCC([NH2+]CCCC2CCC2)CC1)C12CCC[NH+]1CCC2 ZINC001752851369 1440233669 /nfs/dbraw/zinc/23/36/69/1440233669.db2.gz MICCWAGBQVZMLK-UHFFFAOYSA-N 2 0 347.547 3.212 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001752902452 1440243313 /nfs/dbraw/zinc/24/33/13/1440243313.db2.gz BVOPMDWVFNVFAE-APWZRJJASA-N 2 0 349.494 3.013 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC1=CCCCC1 ZINC001752907702 1440244697 /nfs/dbraw/zinc/24/46/97/1440244697.db2.gz JFPNDWLYHUDYRV-KRWDZBQOSA-N 2 0 343.515 3.347 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001752976712 1440256167 /nfs/dbraw/zinc/25/61/67/1440256167.db2.gz QQSDMYFKYOHNIE-RTBURBONSA-N 2 0 335.536 3.236 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752997716 1440263086 /nfs/dbraw/zinc/26/30/86/1440263086.db2.gz SLSLGHOJQYNDLX-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001753027192 1440271651 /nfs/dbraw/zinc/27/16/51/1440271651.db2.gz FWGDNKAVKARFDM-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CCC1 ZINC001753027904 1440272055 /nfs/dbraw/zinc/27/20/55/1440272055.db2.gz UKJJZFNQRQJZKA-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@H]2CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001753036274 1440274824 /nfs/dbraw/zinc/27/48/24/1440274824.db2.gz VCKAFCJDHAUUKY-UUKMXZOPSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001753036352 1440274919 /nfs/dbraw/zinc/27/49/19/1440274919.db2.gz WXNAVOWSUBZABW-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC1CCC(C)CC1 ZINC001753065928 1440285635 /nfs/dbraw/zinc/28/56/35/1440285635.db2.gz DGGJTAWCAYVFCY-ACBHZAAOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)CCC1CCCC1 ZINC001753084325 1440295432 /nfs/dbraw/zinc/29/54/32/1440295432.db2.gz KQCCJQSBTHZNGI-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC1CC(C)(C)C1 ZINC001753090854 1440299128 /nfs/dbraw/zinc/29/91/28/1440299128.db2.gz AWBZBHQRDTWYSB-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001753112503 1440309429 /nfs/dbraw/zinc/30/94/29/1440309429.db2.gz FBWHQNZRASCFRD-AEFFLSMTSA-N 2 0 349.544 3.093 20 0 EGADRP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753206698 1440338774 /nfs/dbraw/zinc/33/87/74/1440338774.db2.gz BJDNMQHEAGQEQX-UHFFFAOYSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@@H](C(=O)N(C)CC[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001753238185 1440341785 /nfs/dbraw/zinc/34/17/85/1440341785.db2.gz YUHGXVHSRUQAMR-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ccsc1 ZINC001753287919 1440349368 /nfs/dbraw/zinc/34/93/68/1440349368.db2.gz BZYFMLRTBJTFEJ-UHFFFAOYSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001753293365 1440351321 /nfs/dbraw/zinc/35/13/21/1440351321.db2.gz CVOOTWFUZYUUMD-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001753325633 1440366345 /nfs/dbraw/zinc/36/63/45/1440366345.db2.gz YJGQPGBAZUEQNZ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753328461 1440367903 /nfs/dbraw/zinc/36/79/03/1440367903.db2.gz TWNSNEOXAHSJNY-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001753329259 1440368334 /nfs/dbraw/zinc/36/83/34/1440368334.db2.gz XUJPBWWOBGNRBO-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CCC2CCCCC2)C1 ZINC001753357963 1440381046 /nfs/dbraw/zinc/38/10/46/1440381046.db2.gz IMNYPEFJMFRVKW-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753448786 1440405004 /nfs/dbraw/zinc/40/50/04/1440405004.db2.gz BCNCCSJCBGTMOF-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001753486959 1440418157 /nfs/dbraw/zinc/41/81/57/1440418157.db2.gz DFVWKRSTHMYMHC-KXBFYZLASA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001753494375 1440420923 /nfs/dbraw/zinc/42/09/23/1440420923.db2.gz CVGHQVZRUHKPES-LJQANCHMSA-N 2 0 345.531 3.064 20 0 EGADRP CC(C)CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001753508361 1440425108 /nfs/dbraw/zinc/42/51/08/1440425108.db2.gz HOSJOYCWWQIOJP-OALUTQOASA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001753557609 1440436195 /nfs/dbraw/zinc/43/61/95/1440436195.db2.gz OWUUKRIYZUFTHO-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001753599681 1440446099 /nfs/dbraw/zinc/44/60/99/1440446099.db2.gz IVABTXBRTWCBIO-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C[NH2+]CCC(C)(C)C ZINC001753632288 1440452450 /nfs/dbraw/zinc/45/24/50/1440452450.db2.gz LGYDIQLDBJDSMB-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001753645039 1440455494 /nfs/dbraw/zinc/45/54/94/1440455494.db2.gz QSQRUHBLPIMSTN-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001753699829 1440468297 /nfs/dbraw/zinc/46/82/97/1440468297.db2.gz DKCGWYUUXFTWMG-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001753710834 1440470638 /nfs/dbraw/zinc/47/06/38/1440470638.db2.gz IUUOMMKALLOTDT-QZTJIDSGSA-N 2 0 345.531 3.143 20 0 EGADRP CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001753734685 1440477282 /nfs/dbraw/zinc/47/72/82/1440477282.db2.gz GWEHWENZJSFPFJ-UXHICEINSA-N 2 0 345.531 3.180 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CCCC2)CC1 ZINC001753786357 1440488236 /nfs/dbraw/zinc/48/82/36/1440488236.db2.gz YIGKRXICFLRKMV-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001753787924 1440488482 /nfs/dbraw/zinc/48/84/82/1440488482.db2.gz KWBKJOUCQKHGQD-ICSRJNTNSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCC(C)(C)C ZINC001753840226 1440502356 /nfs/dbraw/zinc/50/23/56/1440502356.db2.gz YVQDCHCOKIJPHF-SFHVURJKSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@H+](C)CCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753856324 1440509029 /nfs/dbraw/zinc/50/90/29/1440509029.db2.gz FFBBMYFAJRIQIQ-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001753903431 1440523781 /nfs/dbraw/zinc/52/37/81/1440523781.db2.gz XIBRCJVPANXDLR-RBUKOAKNSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754006771 1440530855 /nfs/dbraw/zinc/53/08/55/1440530855.db2.gz BGKVEKOWAAWSOA-QUCCMNQESA-N 2 0 345.531 3.242 20 0 EGADRP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001754022282 1440532633 /nfs/dbraw/zinc/53/26/33/1440532633.db2.gz YOWQJOPKZDHLGB-UYAOXDASSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754026110 1440533033 /nfs/dbraw/zinc/53/30/33/1440533033.db2.gz XBXWIEXFOHDNBP-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754071508 1440538163 /nfs/dbraw/zinc/53/81/63/1440538163.db2.gz DHLOJJBEWWNVID-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)sc1C ZINC001754131277 1440543679 /nfs/dbraw/zinc/54/36/79/1440543679.db2.gz ZCHMUJMADQTRBL-OOFWQKGWSA-N 2 0 349.544 3.001 20 0 EGADRP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001754173352 1440547421 /nfs/dbraw/zinc/54/74/21/1440547421.db2.gz LUVWEBAJKQYZDS-OBMMGQTPSA-N 2 0 349.906 3.005 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001754213371 1440551552 /nfs/dbraw/zinc/55/15/52/1440551552.db2.gz LEPZQKXRTVFXLV-UCFODXPJSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001754296089 1440566397 /nfs/dbraw/zinc/56/63/97/1440566397.db2.gz DDSBLPMDCOIZCV-ICSRJNTNSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001754309681 1440572638 /nfs/dbraw/zinc/57/26/38/1440572638.db2.gz DLVTWGZTNHALES-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001754336669 1440586822 /nfs/dbraw/zinc/58/68/22/1440586822.db2.gz OIPWMERDJYWBEH-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001754350823 1440590797 /nfs/dbraw/zinc/59/07/97/1440590797.db2.gz FZKLYHGBYGNYPH-ROUUACIJSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001754396144 1440594562 /nfs/dbraw/zinc/59/45/62/1440594562.db2.gz CZBFNRNFBZMVPC-PBHICJAKSA-N 2 0 339.911 3.179 20 0 EGADRP O=C(N[C@H](C[NH2+]CCC1CC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754449256 1440600662 /nfs/dbraw/zinc/60/06/62/1440600662.db2.gz NUFSDOQMGCPREI-UXHICEINSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C)cc1 ZINC001754470812 1440605297 /nfs/dbraw/zinc/60/52/97/1440605297.db2.gz QZSLUFBBDYWPPR-UXHICEINSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CC1)[NH+]1CCCCC1 ZINC001754535433 1440624098 /nfs/dbraw/zinc/62/40/98/1440624098.db2.gz IEBLBZIAHURCIJ-GOSISDBHSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001754543984 1440626785 /nfs/dbraw/zinc/62/67/85/1440626785.db2.gz ULZQQPQJUNIBMD-MOPGFXCFSA-N 2 0 335.536 3.118 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001754557223 1440632109 /nfs/dbraw/zinc/63/21/09/1440632109.db2.gz NIQILPUOHSVGDW-TZIWHRDSSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001754565732 1440635304 /nfs/dbraw/zinc/63/53/04/1440635304.db2.gz SJYQTJVBKQZRFG-CTNGQTDRSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754566157 1440635743 /nfs/dbraw/zinc/63/57/43/1440635743.db2.gz WUPLVRORUCUYDL-QUCCMNQESA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001754604877 1440643082 /nfs/dbraw/zinc/64/30/82/1440643082.db2.gz SHFNNYYHXSTOBE-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754615039 1440644335 /nfs/dbraw/zinc/64/43/35/1440644335.db2.gz YXTNVGDDZPDAMP-QLOJAFMTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754617218 1440644710 /nfs/dbraw/zinc/64/47/10/1440644710.db2.gz ITTCNNONGFVQJH-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH+]1CCC(C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001754631298 1440647964 /nfs/dbraw/zinc/64/79/64/1440647964.db2.gz WBBVUNMNAUORRL-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001754675377 1440659662 /nfs/dbraw/zinc/65/96/62/1440659662.db2.gz ODDDAFOLUKLFAX-FQEVSTJZSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001754696507 1440667126 /nfs/dbraw/zinc/66/71/26/1440667126.db2.gz YCQWFNQLEYOOKD-QFUCXCTJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001754713535 1440670811 /nfs/dbraw/zinc/67/08/11/1440670811.db2.gz UVSRVEGTUFFUIJ-NRFANRHFSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[NH2+]CCN(Cc1ccccc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001754837600 1440697217 /nfs/dbraw/zinc/69/72/17/1440697217.db2.gz OGMXSOOQVSNKGW-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001754944058 1440712344 /nfs/dbraw/zinc/71/23/44/1440712344.db2.gz BMCBENJOOZSMIZ-MSOLQXFVSA-N 2 0 345.531 3.236 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)CCC1 ZINC001754952797 1440715554 /nfs/dbraw/zinc/71/55/54/1440715554.db2.gz GMFYNZJYYVKKMD-WGSAOQKQSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)CC1 ZINC001754955943 1440716525 /nfs/dbraw/zinc/71/65/25/1440716525.db2.gz XDVZRMBOSJUXRY-KESTWPANSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001754957951 1440716927 /nfs/dbraw/zinc/71/69/27/1440716927.db2.gz VSZUEMVDRKQTEH-WFXMLNOXSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754992841 1440725055 /nfs/dbraw/zinc/72/50/55/1440725055.db2.gz UBCIQUKFUXVMSG-HDICACEKSA-N 2 0 347.547 3.378 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1)C1CCC1 ZINC001755025599 1440728661 /nfs/dbraw/zinc/72/86/61/1440728661.db2.gz XMTCTHCEJWTNBS-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755028188 1440729885 /nfs/dbraw/zinc/72/98/85/1440729885.db2.gz BWPNCEDGOZOLFZ-HMECNJMJSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755028190 1440729964 /nfs/dbraw/zinc/72/99/64/1440729964.db2.gz BWPNCEDGOZOLFZ-PHWHVTFISA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001755039792 1440736496 /nfs/dbraw/zinc/73/64/96/1440736496.db2.gz CUHFSCYEBBIABU-UHFFFAOYSA-N 2 0 330.476 3.227 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755045558 1440740619 /nfs/dbraw/zinc/74/06/19/1440740619.db2.gz ZQSDOOJNVDUXHD-PKOBYXMFSA-N 2 0 349.494 3.009 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001755047432 1440741942 /nfs/dbraw/zinc/74/19/42/1440741942.db2.gz NTDQAJQZVCBARG-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755073202 1440747317 /nfs/dbraw/zinc/74/73/17/1440747317.db2.gz KOLKFSFRXYRXFO-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)CC1(C)C ZINC001755144177 1440762640 /nfs/dbraw/zinc/76/26/40/1440762640.db2.gz XOWGEGUSFVJXAV-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001755165641 1440767028 /nfs/dbraw/zinc/76/70/28/1440767028.db2.gz PEYZLAQLCACXDN-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001755170501 1440768539 /nfs/dbraw/zinc/76/85/39/1440768539.db2.gz FBLWVJCXANRRJU-SCTDSRPQSA-N 2 0 331.504 3.025 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001755273645 1440798352 /nfs/dbraw/zinc/79/83/52/1440798352.db2.gz WRLWKINYMZELRQ-ABHNRTSZSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC2(CCC2)C1 ZINC001755306975 1440811511 /nfs/dbraw/zinc/81/15/11/1440811511.db2.gz WGNDBEXJCSKJCD-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)CC1=CCCCC1 ZINC001755329103 1440823599 /nfs/dbraw/zinc/82/35/99/1440823599.db2.gz WMKHNJVMSZAIJV-KRWDZBQOSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001755363799 1440833472 /nfs/dbraw/zinc/83/34/72/1440833472.db2.gz MZORLAMDMZAYIG-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C\c1ccccc1 ZINC001755367881 1440835584 /nfs/dbraw/zinc/83/55/84/1440835584.db2.gz JZXBFVNRGVCKPO-DBBZSVRUSA-N 2 0 343.515 3.012 20 0 EGADRP Cn1cncc1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC(C)(C)C ZINC001755368877 1440836388 /nfs/dbraw/zinc/83/63/88/1440836388.db2.gz XGGRNUOPJFLAIG-KRWDZBQOSA-N 2 0 348.535 3.150 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001755411309 1440846276 /nfs/dbraw/zinc/84/62/76/1440846276.db2.gz BNDLRZIHNVCJKI-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415448 1440848461 /nfs/dbraw/zinc/84/84/61/1440848461.db2.gz INVKRWYQNWZJOL-CRAIPNDOSA-N 2 0 349.494 3.054 20 0 EGADRP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCC1CCCCCC1)C2 ZINC001755457516 1440856382 /nfs/dbraw/zinc/85/63/82/1440856382.db2.gz OYBLCTKKTMVKFJ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC=C(C)C)C[C@]2(C)C1)[NH+](CC)CC ZINC001755460094 1440856946 /nfs/dbraw/zinc/85/69/46/1440856946.db2.gz BTXHJGYLTRDQQJ-NRSPTQNISA-N 2 0 349.563 3.243 20 0 EGADRP C[C@@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755498341 1440862423 /nfs/dbraw/zinc/86/24/23/1440862423.db2.gz IPMOFLBGJZMASS-YQVWRLOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001755663183 1440893000 /nfs/dbraw/zinc/89/30/00/1440893000.db2.gz FAGWNCJWBQMAIB-IEBWSBKVSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001755666859 1440893585 /nfs/dbraw/zinc/89/35/85/1440893585.db2.gz JXNNNVNYUWGQFZ-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755686198 1440895887 /nfs/dbraw/zinc/89/58/87/1440895887.db2.gz HTIFMJUXNKMMPP-WMZOPIPTSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC001755700076 1440899746 /nfs/dbraw/zinc/89/97/46/1440899746.db2.gz BYQGUFGDCBMGRX-SVFBPWRDSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001755722249 1440908060 /nfs/dbraw/zinc/90/80/60/1440908060.db2.gz HBNXOSPBRVKWFL-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)CCCCC1 ZINC001755739091 1440911419 /nfs/dbraw/zinc/91/14/19/1440911419.db2.gz GTWLHCGBMKCWED-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001755746345 1440912458 /nfs/dbraw/zinc/91/24/58/1440912458.db2.gz HDXBSFPYAVOCQQ-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccccc2)C(C)(C)C1 ZINC001755765455 1440916088 /nfs/dbraw/zinc/91/60/88/1440916088.db2.gz PMAMHVGAMYXWGL-HKUYNNGSSA-N 2 0 345.531 3.306 20 0 EGADRP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001755766454 1440916348 /nfs/dbraw/zinc/91/63/48/1440916348.db2.gz KPIICOLGZDJUAT-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001755812521 1440921178 /nfs/dbraw/zinc/92/11/78/1440921178.db2.gz RTSJZFQYXHSJNN-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@H+](C)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001755815391 1440923234 /nfs/dbraw/zinc/92/32/34/1440923234.db2.gz JRXPPJKSEHFHHN-ROUUACIJSA-N 2 0 325.541 3.074 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC001755825457 1440927093 /nfs/dbraw/zinc/92/70/93/1440927093.db2.gz SVICSAOLLCSXDT-IRXDYDNUSA-N 2 0 339.568 3.418 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)C(C)(C)C ZINC001755831414 1440928822 /nfs/dbraw/zinc/92/88/22/1440928822.db2.gz URDHYHWRLSNXLS-LJQANCHMSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C)c1ccccc1 ZINC001755833741 1440929588 /nfs/dbraw/zinc/92/95/88/1440929588.db2.gz OWVXMRUJRWTPDE-MSOLQXFVSA-N 2 0 342.487 3.224 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001755862676 1440937058 /nfs/dbraw/zinc/93/70/58/1440937058.db2.gz UBWLVOILBNSRPD-XIMCWOHTSA-N 2 0 335.536 3.185 20 0 EGADRP CC(C)=CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001755869839 1440938716 /nfs/dbraw/zinc/93/87/16/1440938716.db2.gz QQTUJZQYLJGCPM-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755889246 1440941103 /nfs/dbraw/zinc/94/11/03/1440941103.db2.gz BNFTUMGDWUWXCA-SNAWJCMRSA-N 2 0 345.531 3.110 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001755900184 1440943652 /nfs/dbraw/zinc/94/36/52/1440943652.db2.gz WXBYYNFHDIXSPF-ROUUACIJSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccc(CN(C)c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC001165018309 721836509 /nfs/dbraw/zinc/83/65/09/721836509.db2.gz WVRKQOKDOAECHY-UHFFFAOYSA-N 2 0 325.456 3.499 20 0 EGADRP c1cn(-c2cc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2)cn1 ZINC001165050151 721977313 /nfs/dbraw/zinc/97/73/13/721977313.db2.gz VDFKRKHGVMNEPV-QGZVFWFLSA-N 2 0 325.460 3.112 20 0 EGADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000368294723 168339084 /nfs/dbraw/zinc/33/90/84/168339084.db2.gz VHIRHAFIMCNRCE-HKUYNNGSSA-N 2 0 345.531 3.253 20 0 EGADRP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000368470575 168360799 /nfs/dbraw/zinc/36/07/99/168360799.db2.gz NVLDAUYEJRKTBW-BIRZXAFVSA-N 2 0 342.527 3.428 20 0 EGADRP CN(c1ccccc1C[NH2+]CCCOCC1CC1)C1CC[NH+](C)CC1 ZINC000132795566 530037182 /nfs/dbraw/zinc/03/71/82/530037182.db2.gz BDVBBJICFFERID-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178036780 232065634 /nfs/dbraw/zinc/06/56/34/232065634.db2.gz YQMUNSUQRQRRLF-BBWFWOEESA-N 2 0 332.488 3.162 20 0 EGADRP Cc1ncccc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000103343326 219292942 /nfs/dbraw/zinc/29/29/42/219292942.db2.gz WKLPCOURQQIXOE-CALCHBBNSA-N 2 0 339.483 3.289 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000179698595 233337970 /nfs/dbraw/zinc/33/79/70/233337970.db2.gz PIHKHXSJFXRISJ-UHFFFAOYSA-N 2 0 328.460 3.290 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000072786180 216305779 /nfs/dbraw/zinc/30/57/79/216305779.db2.gz AXTHEIZTLQDODV-UHFFFAOYSA-N 2 0 347.890 3.327 20 0 EGADRP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000193303400 240097998 /nfs/dbraw/zinc/09/79/98/240097998.db2.gz PUVPVBMIBKHRNU-MRXNPFEDSA-N 2 0 331.504 3.195 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236877984 242391330 /nfs/dbraw/zinc/39/13/30/242391330.db2.gz CBCCUQIAYUYYBB-VQTJNVASSA-N 2 0 339.483 3.276 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262697854 245128190 /nfs/dbraw/zinc/12/81/90/245128190.db2.gz FOLMZEKKPGVTOO-OXQOHEQNSA-N 2 0 331.504 3.052 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000265149787 247250247 /nfs/dbraw/zinc/25/02/47/247250247.db2.gz AZNSRGDFZAGAGC-PXNSSMCTSA-N 2 0 341.499 3.461 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000266415125 248289166 /nfs/dbraw/zinc/28/91/66/248289166.db2.gz OMIBBPLMLQNEKF-IBGZPJMESA-N 2 0 345.531 3.332 20 0 EGADRP C[C@H](CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377620562 169048926 /nfs/dbraw/zinc/04/89/26/169048926.db2.gz FCLVEMRYLJFHPB-NQIIRXRSSA-N 2 0 329.532 3.281 20 0 EGADRP C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377631850 169051675 /nfs/dbraw/zinc/05/16/75/169051675.db2.gz RRSBHEHUPQVXSN-LAUBAEHRSA-N 2 0 347.522 3.247 20 0 EGADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038788 217911758 /nfs/dbraw/zinc/91/17/58/217911758.db2.gz CQBSZPGBFLLZLB-OAHLLOKOSA-N 2 0 345.512 3.199 20 0 EGADRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(C)ccc1OC ZINC000091733219 218054271 /nfs/dbraw/zinc/05/42/71/218054271.db2.gz HLZNJROKRNZSGD-LJQANCHMSA-N 2 0 333.520 3.070 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000092746386 218164248 /nfs/dbraw/zinc/16/42/48/218164248.db2.gz YPDSJYUYTHBLHM-JKSUJKDBSA-N 2 0 342.462 3.384 20 0 EGADRP CCOc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1OC(F)F ZINC000093088740 218192865 /nfs/dbraw/zinc/19/28/65/218192865.db2.gz PNLITBBWWALVIY-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000093213562 218204410 /nfs/dbraw/zinc/20/44/10/218204410.db2.gz TUNPFEGACJEFBO-DRZSPHRISA-N 2 0 327.266 3.378 20 0 EGADRP COCCOC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000093339579 218215797 /nfs/dbraw/zinc/21/57/97/218215797.db2.gz SEUYMRSMPBFVRP-UHFFFAOYSA-N 2 0 348.531 3.272 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1-n1cncn1 ZINC000093563663 218233283 /nfs/dbraw/zinc/23/32/83/218233283.db2.gz GZROCINZHDFELI-LJQANCHMSA-N 2 0 339.487 3.026 20 0 EGADRP Cn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(-c2cccnc2)n1 ZINC000093688459 218241590 /nfs/dbraw/zinc/24/15/90/218241590.db2.gz BMXOMPDBRWYZBJ-UHFFFAOYSA-N 2 0 341.503 3.036 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCOCc2ccccc2)[C@H](C)C1 ZINC000268750415 252202244 /nfs/dbraw/zinc/20/22/44/252202244.db2.gz UVHSBDJHPDMANU-CTNGQTDRSA-N 2 0 348.531 3.320 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000268861124 252309893 /nfs/dbraw/zinc/30/98/93/252309893.db2.gz VOLALZJDXOHWKZ-BRWVUGGUSA-N 2 0 332.488 3.257 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000268859449 252308803 /nfs/dbraw/zinc/30/88/03/252308803.db2.gz VDIWPLZJXIFXHI-QGZVFWFLSA-N 2 0 333.520 3.263 20 0 EGADRP Brc1cccc(NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000352970154 532968217 /nfs/dbraw/zinc/96/82/17/532968217.db2.gz UNBZYJYAYNZJFA-CVEARBPZSA-N 2 0 338.293 3.077 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1 ZINC000112528895 220342424 /nfs/dbraw/zinc/34/24/24/220342424.db2.gz HTRPSKSBXMRGAP-OAHLLOKOSA-N 2 0 344.890 3.338 20 0 EGADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630354 533286592 /nfs/dbraw/zinc/28/65/92/533286592.db2.gz JYHBWHPRFPVYEP-VQIMIIECSA-N 2 0 343.515 3.131 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000677803890 549333562 /nfs/dbraw/zinc/33/35/62/549333562.db2.gz BAOFAODJARRVPN-SFHVURJKSA-N 2 0 335.923 3.333 20 0 EGADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123462211 140891520 /nfs/dbraw/zinc/89/15/20/140891520.db2.gz LNJNZBQBWXLBLR-FGTMMUONSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000237552429 141007963 /nfs/dbraw/zinc/00/79/63/141007963.db2.gz AHMCIIJPQKEYRL-QGZVFWFLSA-N 2 0 343.515 3.289 20 0 EGADRP C[C@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000237605426 141009766 /nfs/dbraw/zinc/00/97/66/141009766.db2.gz CLYNUUWCTUTOJD-SJORKVTESA-N 2 0 345.531 3.258 20 0 EGADRP C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246990708 141047866 /nfs/dbraw/zinc/04/78/66/141047866.db2.gz OFHCFSGTMJOIHE-KURKYZTESA-N 2 0 335.536 3.020 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000247004569 141048566 /nfs/dbraw/zinc/04/85/66/141048566.db2.gz LVYGDHHXJSYDIX-PKOBYXMFSA-N 2 0 334.504 3.230 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[NH+](CC)CC ZINC000344463154 141157631 /nfs/dbraw/zinc/15/76/31/141157631.db2.gz MULFJRNCXWFZOM-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000353470954 141303521 /nfs/dbraw/zinc/30/35/21/141303521.db2.gz QZUPTBVAVLXDBG-IPELMVKDSA-N 2 0 329.488 3.245 20 0 EGADRP CCOc1cc2[nH+]ccc(NCC3=CC[N@H+](C)CC3)c2cc1OCC ZINC000354593943 141311949 /nfs/dbraw/zinc/31/19/49/141311949.db2.gz CQOCKNQNRQBDGJ-UHFFFAOYSA-N 2 0 341.455 3.128 20 0 EGADRP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185601918 144116243 /nfs/dbraw/zinc/11/62/43/144116243.db2.gz MWKIHTCLKLRPIE-YLJYHZDGSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186486644 144134834 /nfs/dbraw/zinc/13/48/34/144134834.db2.gz DDTUFUQOYMAHEJ-UZLBHIALSA-N 2 0 339.483 3.169 20 0 EGADRP Cc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000187137101 144153103 /nfs/dbraw/zinc/15/31/03/144153103.db2.gz HGIPVHCHQWTTGJ-HDICACEKSA-N 2 0 345.531 3.410 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CCSCC1 ZINC000187536412 144160671 /nfs/dbraw/zinc/16/06/71/144160671.db2.gz JUOJHTHGVKKPNY-OXQOHEQNSA-N 2 0 348.556 3.265 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344621600 144200358 /nfs/dbraw/zinc/20/03/58/144200358.db2.gz GHEBXGMYPWVGOF-GUYCJALGSA-N 2 0 332.879 3.406 20 0 EGADRP CCc1oc2ccccc2c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000344685321 144209960 /nfs/dbraw/zinc/20/99/60/144209960.db2.gz QXUODSYRLZUJMZ-UHFFFAOYSA-N 2 0 330.472 3.320 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000351227246 144260067 /nfs/dbraw/zinc/26/00/67/144260067.db2.gz NNSYTGNBZGXZIH-SFHVURJKSA-N 2 0 333.520 3.106 20 0 EGADRP C[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000351474010 144266280 /nfs/dbraw/zinc/26/62/80/144266280.db2.gz XCVZWDRYJQHMPZ-CTNGQTDRSA-N 2 0 329.532 3.457 20 0 EGADRP CN(C[C@@H](O)C[N@H+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513900 144272612 /nfs/dbraw/zinc/27/26/12/144272612.db2.gz NHATVUIROGODCC-LJQANCHMSA-N 2 0 336.907 3.050 20 0 EGADRP C[N@H+](C[C@H](O)CN1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516316 144273282 /nfs/dbraw/zinc/27/32/82/144273282.db2.gz XKKYSYQJOYLUCJ-FCHUYYIVSA-N 2 0 336.479 3.241 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363925560 144376797 /nfs/dbraw/zinc/37/67/97/144376797.db2.gz UGLFORZXBBHECO-XYPHTWIQSA-N 2 0 335.879 3.274 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341391969 155265523 /nfs/dbraw/zinc/26/55/23/155265523.db2.gz JWKGDXPQNRAAQM-FXAWDEMLSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)[NH+](CCNC(=O)c1oc2ccccc2c1C[NH+](C)C)C(C)C ZINC000118755273 152150595 /nfs/dbraw/zinc/15/05/95/152150595.db2.gz KZGBKTQOIPPXJJ-UHFFFAOYSA-N 2 0 345.487 3.343 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000121335818 152344171 /nfs/dbraw/zinc/34/41/71/152344171.db2.gz UQYJDSSEUQTNJE-WIYYLYMNSA-N 2 0 329.532 3.317 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000122068183 152388932 /nfs/dbraw/zinc/38/89/32/152388932.db2.gz GRUXTGRPSZKFPS-MDNKFWRPSA-N 2 0 328.500 3.444 20 0 EGADRP CCOC1CC(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000189244741 153059934 /nfs/dbraw/zinc/05/99/34/153059934.db2.gz OGJCWGQFJNCAMK-KTLDDFEXSA-N 2 0 331.504 3.087 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000192042646 153239134 /nfs/dbraw/zinc/23/91/34/153239134.db2.gz NFXQIYUBUPEIDR-IBGZPJMESA-N 2 0 338.499 3.489 20 0 EGADRP CCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000192932428 153269177 /nfs/dbraw/zinc/26/91/77/153269177.db2.gz JUEMZDOEOAEQQE-IBGZPJMESA-N 2 0 326.488 3.132 20 0 EGADRP COc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c2ccccc12 ZINC000325334642 154178607 /nfs/dbraw/zinc/17/86/07/154178607.db2.gz WMEKUTMKMGYXHN-UHFFFAOYSA-N 2 0 328.456 3.178 20 0 EGADRP COC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000336667926 154210255 /nfs/dbraw/zinc/21/02/55/154210255.db2.gz ACXCCXAHNFLXOE-FEKWIAJESA-N 2 0 328.500 3.444 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000338211005 154634517 /nfs/dbraw/zinc/63/45/17/154634517.db2.gz WRAASLLLEAIMPH-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)CN1Cc1ccccc1 ZINC000340003982 155068160 /nfs/dbraw/zinc/06/81/60/155068160.db2.gz OXDDKXVKKVKJRO-IAGOWNOFSA-N 2 0 348.450 3.069 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(O)c1 ZINC000348967820 156303204 /nfs/dbraw/zinc/30/32/04/156303204.db2.gz QSRDQGJQRORPRV-UHFFFAOYSA-N 2 0 328.456 3.485 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)s1 ZINC000349035383 156325229 /nfs/dbraw/zinc/32/52/29/156325229.db2.gz INPWPQUQOVUSEZ-AWEZNQCLSA-N 2 0 329.941 3.249 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)Cc1cnc2cc(C)ccn12 ZINC000349157164 156368701 /nfs/dbraw/zinc/36/87/01/156368701.db2.gz YRLRXMONHSXGGM-UHFFFAOYSA-N 2 0 325.460 3.314 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000349153985 156369755 /nfs/dbraw/zinc/36/97/55/156369755.db2.gz TVSWCNJWQUOYRG-LJQANCHMSA-N 2 0 349.482 3.271 20 0 EGADRP c1[nH]c2ncccc2c1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358337955 156815801 /nfs/dbraw/zinc/81/58/01/156815801.db2.gz GFPCANTVJABREF-UHFFFAOYSA-N 2 0 326.488 3.492 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000248416700 163002756 /nfs/dbraw/zinc/00/27/56/163002756.db2.gz PYJITEAZPIEGKJ-PFAUGDHASA-N 2 0 328.500 3.038 20 0 EGADRP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC000248995625 163050734 /nfs/dbraw/zinc/05/07/34/163050734.db2.gz OXUBBIYHNBLJFJ-HHXCZETCSA-N 2 0 327.516 3.254 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCCC1 ZINC000337269746 163188869 /nfs/dbraw/zinc/18/88/69/163188869.db2.gz MANSDNLDQOYPSD-OAHLLOKOSA-N 2 0 337.895 3.393 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338541933 163266975 /nfs/dbraw/zinc/26/69/75/163266975.db2.gz YKIQWNZBHSSYKO-SFHVURJKSA-N 2 0 343.515 3.277 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000338544143 163267159 /nfs/dbraw/zinc/26/71/59/163267159.db2.gz LFMNEXHFQKUBCI-HXUWFJFHSA-N 2 0 334.504 3.197 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000338573607 163278147 /nfs/dbraw/zinc/27/81/47/163278147.db2.gz KALXKHOVARDKIH-FXAWDEMLSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000343775030 164031573 /nfs/dbraw/zinc/03/15/73/164031573.db2.gz TZGYFJKHVOGKGD-KLBVCGFUSA-N 2 0 343.515 3.027 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)s1 ZINC000343944227 164070141 /nfs/dbraw/zinc/07/01/41/164070141.db2.gz VUFNBDRGFOHBJI-AWEZNQCLSA-N 2 0 333.501 3.497 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000343986869 164077572 /nfs/dbraw/zinc/07/75/72/164077572.db2.gz NWHRRBMESRHIOF-IBGZPJMESA-N 2 0 325.456 3.189 20 0 EGADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(F)c1 ZINC000344002052 164079952 /nfs/dbraw/zinc/07/99/52/164079952.db2.gz CFIDWSADKBRHRP-OAHLLOKOSA-N 2 0 331.435 3.402 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1OC ZINC000344120359 164107365 /nfs/dbraw/zinc/10/73/65/164107365.db2.gz ZOPGSVQKNMVALJ-RTBURBONSA-N 2 0 331.504 3.481 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]([NH3+])CC(F)F)C1CCCCC1 ZINC000345724479 164252499 /nfs/dbraw/zinc/25/24/99/164252499.db2.gz XSDJANOQOXWUHX-OAHLLOKOSA-N 2 0 339.430 3.372 20 0 EGADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345749512 164257878 /nfs/dbraw/zinc/25/78/78/164257878.db2.gz LDCZUUPFSNCSDR-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000350350837 165034729 /nfs/dbraw/zinc/03/47/29/165034729.db2.gz GQWPVFIEMJFKRN-UHFFFAOYSA-N 2 0 335.879 3.336 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000351929910 165154686 /nfs/dbraw/zinc/15/46/86/165154686.db2.gz JNBILQIPFCPGFC-PGYGNJIDSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000352178399 165270074 /nfs/dbraw/zinc/27/00/74/165270074.db2.gz MPQSTPAASWOCRG-IRXDYDNUSA-N 2 0 335.492 3.008 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)c2ccccc2)C2CC2)CC1 ZINC000352831565 165521264 /nfs/dbraw/zinc/52/12/64/165521264.db2.gz LTTPNWKMPJVHMY-QGZVFWFLSA-N 2 0 343.515 3.201 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccsc1 ZINC000355410743 166188970 /nfs/dbraw/zinc/18/89/70/166188970.db2.gz RLPLAZUQZIJEKB-BFYDXBDKSA-N 2 0 337.533 3.120 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000355676481 166281139 /nfs/dbraw/zinc/28/11/39/166281139.db2.gz UELAROLKUBUIFL-UHFFFAOYSA-N 2 0 328.431 3.039 20 0 EGADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359118982 167071956 /nfs/dbraw/zinc/07/19/56/167071956.db2.gz WKJAXTQKMBPLNY-SVFBPWRDSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000359474235 167166197 /nfs/dbraw/zinc/16/61/97/167166197.db2.gz RQERUNPQNFQPIQ-LMMKCTJWSA-N 2 0 348.535 3.014 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000359505392 167174499 /nfs/dbraw/zinc/17/44/99/167174499.db2.gz AUYJDTUGJQJSKH-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000359505390 167174984 /nfs/dbraw/zinc/17/49/84/167174984.db2.gz AUYJDTUGJQJSKH-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2cc(OC)ccc2c1 ZINC000360239947 167279620 /nfs/dbraw/zinc/27/96/20/167279620.db2.gz DAMCPDKAUMKHRJ-FPOVZHCZSA-N 2 0 342.483 3.346 20 0 EGADRP Cc1csc(N2CCC([NH2+]CC3(C[NH+](C)C)CCCC3)CC2)n1 ZINC000364913478 168000708 /nfs/dbraw/zinc/00/07/08/168000708.db2.gz DFOPQFPXMDKVTG-UHFFFAOYSA-N 2 0 336.549 3.132 20 0 EGADRP CC(=O)c1ccccc1OCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366880126 168152000 /nfs/dbraw/zinc/15/20/00/168152000.db2.gz HQXNTZQSOHYDIX-UHFFFAOYSA-N 2 0 330.472 3.076 20 0 EGADRP C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030483 168170386 /nfs/dbraw/zinc/17/03/86/168170386.db2.gz QSFDFKFAPPWDSU-XLIONFOSSA-N 2 0 349.950 3.230 20 0 EGADRP Cn1cncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368091044 168309227 /nfs/dbraw/zinc/30/92/27/168309227.db2.gz VFAKGGAHOIEINJ-HLAWJBBLSA-N 2 0 338.499 3.201 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC[N@@H+]1C ZINC000159272122 225185147 /nfs/dbraw/zinc/18/51/47/225185147.db2.gz WDWYYRAJZJADEX-PBHICJAKSA-N 2 0 327.428 3.104 20 0 EGADRP Cc1ccc(C)c(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173948006 265013699 /nfs/dbraw/zinc/01/36/99/265013699.db2.gz RGADFXMFQOWAKR-UHFFFAOYSA-N 2 0 346.515 3.259 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178693968 265335667 /nfs/dbraw/zinc/33/56/67/265335667.db2.gz LDAHZKTWZBQSJF-YLJYHZDGSA-N 2 0 329.532 3.272 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000235139443 266207854 /nfs/dbraw/zinc/20/78/54/266207854.db2.gz ASRZIMPALCNTHU-AWEZNQCLSA-N 2 0 325.294 3.456 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237584724 266237467 /nfs/dbraw/zinc/23/74/67/266237467.db2.gz OOCSOBCLZPINEQ-IEBWSBKVSA-N 2 0 343.515 3.017 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000269083835 266284355 /nfs/dbraw/zinc/28/43/55/266284355.db2.gz OZTSRHUEMRODRA-TZMCWYRMSA-N 2 0 348.409 3.435 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273227805 267000612 /nfs/dbraw/zinc/00/06/12/267000612.db2.gz FHYWDGMRJWPSEW-VQIMIIECSA-N 2 0 328.500 3.407 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000273254789 267006997 /nfs/dbraw/zinc/00/69/97/267006997.db2.gz DYDWHUIDUVMRQZ-ZWKOTPCHSA-N 2 0 346.515 3.464 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000273266379 267008708 /nfs/dbraw/zinc/00/87/08/267008708.db2.gz ULTKTTWEMSXYGR-LMMKCTJWSA-N 2 0 345.531 3.180 20 0 EGADRP CCn1nc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000274490061 267246389 /nfs/dbraw/zinc/24/63/89/267246389.db2.gz ZNJLENHNMTXHTR-CALCHBBNSA-N 2 0 344.503 3.035 20 0 EGADRP C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759388 267282812 /nfs/dbraw/zinc/28/28/12/267282812.db2.gz JOVKTCKBUBWXBR-IHPCNDPISA-N 2 0 344.499 3.172 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H](C)C1 ZINC000274777256 267284507 /nfs/dbraw/zinc/28/45/07/267284507.db2.gz OHZHRZWXKWJVJV-FXAWDEMLSA-N 2 0 348.531 3.141 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911403 267305234 /nfs/dbraw/zinc/30/52/34/267305234.db2.gz NGSUACUAZUATAC-MJUUVYJYSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000278411431 268006775 /nfs/dbraw/zinc/00/67/75/268006775.db2.gz HREJWPIOKOGZPG-YSSFQJQWSA-N 2 0 334.479 3.492 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C3([NH3+])CCCCC3)c2)CC1 ZINC000236638251 273599749 /nfs/dbraw/zinc/59/97/49/273599749.db2.gz IXOSVJDENODHPY-UHFFFAOYSA-N 2 0 343.515 3.196 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000166532994 274944922 /nfs/dbraw/zinc/94/49/22/274944922.db2.gz IHPCXTMVKLKRGI-UHFFFAOYSA-N 2 0 334.261 3.168 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000090911300 275153545 /nfs/dbraw/zinc/15/35/45/275153545.db2.gz VLJHIBBRXPZRSU-INMHGKMJSA-N 2 0 328.460 3.160 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110822535 275181690 /nfs/dbraw/zinc/18/16/90/275181690.db2.gz FVXGHXSGFXLPSJ-BLLLJJGKSA-N 2 0 325.294 3.236 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110822679 275181692 /nfs/dbraw/zinc/18/16/92/275181692.db2.gz SMZDRZJDVFCHOO-SUMWQHHRSA-N 2 0 337.305 3.238 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181358350 275206384 /nfs/dbraw/zinc/20/63/84/275206384.db2.gz RFZNMQLXMFNLDS-IOASZLSFSA-N 2 0 340.309 3.179 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCNc2cccc(Br)c2)[C@H](C)C1 ZINC000181357479 275206434 /nfs/dbraw/zinc/20/64/34/275206434.db2.gz WJPVEGQXCUASKP-CZUORRHYSA-N 2 0 340.309 3.181 20 0 EGADRP Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000278742951 275270773 /nfs/dbraw/zinc/27/07/73/275270773.db2.gz IVTOMPPEIDYXRY-OAHLLOKOSA-N 2 0 343.446 3.372 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000279847019 275365365 /nfs/dbraw/zinc/36/53/65/275365365.db2.gz RNNQOQMJEXHBEB-UHFFFAOYSA-N 2 0 325.412 3.267 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282093213 275602083 /nfs/dbraw/zinc/60/20/83/275602083.db2.gz IGBZVOLOJIFIMS-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000284450937 275801972 /nfs/dbraw/zinc/80/19/72/275801972.db2.gz SNNGSOMZUWEGOB-FKBYEOEOSA-N 2 0 342.527 3.284 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285998459 275938932 /nfs/dbraw/zinc/93/89/32/275938932.db2.gz IMBAIINVHANWOH-HOTGVXAUSA-N 2 0 338.492 3.020 20 0 EGADRP CC1(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)COC1 ZINC000286713656 276036076 /nfs/dbraw/zinc/03/60/76/276036076.db2.gz WWBSKUHOSGKWGF-UHFFFAOYSA-N 2 0 330.516 3.347 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287904243 276168292 /nfs/dbraw/zinc/16/82/92/276168292.db2.gz ZUNARHMIJFXQHI-IRXDYDNUSA-N 2 0 327.476 3.038 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154476377 276194955 /nfs/dbraw/zinc/19/49/55/276194955.db2.gz VJCTUWNBRBHTMR-SFHVURJKSA-N 2 0 333.520 3.300 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352832704 276195730 /nfs/dbraw/zinc/19/57/30/276195730.db2.gz GBQRGBYWRVOSPJ-ZDUSSCGKSA-N 2 0 349.466 3.130 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360839910 276199221 /nfs/dbraw/zinc/19/92/21/276199221.db2.gz ZNMADZPQJPLYCF-YLJYHZDGSA-N 2 0 329.532 3.415 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122918075 276199533 /nfs/dbraw/zinc/19/95/33/276199533.db2.gz UYGQQGAKFQOFBX-MISYRCLQSA-N 2 0 329.532 3.184 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccnc1 ZINC000288581288 276230806 /nfs/dbraw/zinc/23/08/06/276230806.db2.gz AAQRZIHDFUWUDB-LJQANCHMSA-N 2 0 342.487 3.438 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352056450 276285963 /nfs/dbraw/zinc/28/59/63/276285963.db2.gz CNYQAMJXHWIGIO-PMACEKPBSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000357804756 276308440 /nfs/dbraw/zinc/30/84/40/276308440.db2.gz MHWAKMSOMNXNKT-KRWDZBQOSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc21 ZINC000289264287 276313147 /nfs/dbraw/zinc/31/31/47/276313147.db2.gz OOTYPBCQVJPFOO-OXJNMPFZSA-N 2 0 336.483 3.172 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353567540 278300476 /nfs/dbraw/zinc/30/04/76/278300476.db2.gz ZLADAEVTADOIEX-ICSRJNTNSA-N 2 0 326.488 3.164 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000164586131 278333545 /nfs/dbraw/zinc/33/35/45/278333545.db2.gz AVAFDVZXFMCIKM-DBVUQKKJSA-N 2 0 343.515 3.195 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000356887557 278341055 /nfs/dbraw/zinc/34/10/55/278341055.db2.gz YTYVXJNOJLHSEM-UHFFFAOYSA-N 2 0 335.458 3.256 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000346882621 278578791 /nfs/dbraw/zinc/57/87/91/278578791.db2.gz YOXYWAKVCIYGKL-FUHWJXTLSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000350916226 280393124 /nfs/dbraw/zinc/39/31/24/280393124.db2.gz CYNOGDINSFPFJS-QGZVFWFLSA-N 2 0 331.504 3.212 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337999429 280422951 /nfs/dbraw/zinc/42/29/51/280422951.db2.gz OODHHMJOHCVCFA-DSLXNQLJSA-N 2 0 326.500 3.262 20 0 EGADRP Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000376210811 280567960 /nfs/dbraw/zinc/56/79/60/280567960.db2.gz LWSVVBIOVCNGQQ-OXJNMPFZSA-N 2 0 338.499 3.005 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000153170653 295102024 /nfs/dbraw/zinc/10/20/24/295102024.db2.gz AJLTVIARIJYCPH-VYDXJSESSA-N 2 0 334.504 3.300 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000068722695 307372020 /nfs/dbraw/zinc/37/20/20/307372020.db2.gz SVKBIVSYKQKCPF-AWEZNQCLSA-N 2 0 328.403 3.118 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000072828748 307382786 /nfs/dbraw/zinc/38/27/86/307382786.db2.gz NDIARDBWWCNPFH-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C(C)C ZINC000122073749 307526201 /nfs/dbraw/zinc/52/62/01/307526201.db2.gz SVBMDEUZPOOYEC-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000414104613 309061143 /nfs/dbraw/zinc/06/11/43/309061143.db2.gz ZHYTXBSJVYVNAI-ZLGUVYLKSA-N 2 0 346.515 3.422 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CC1(C)C ZINC000414119123 309062027 /nfs/dbraw/zinc/06/20/27/309062027.db2.gz WFKVEXMPIAXMNU-IAGOWNOFSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132490337 307658634 /nfs/dbraw/zinc/65/86/34/307658634.db2.gz NKUBMCYREQAJBF-LEWJYISDSA-N 2 0 349.538 3.254 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000414133925 309062633 /nfs/dbraw/zinc/06/26/33/309062633.db2.gz BVCKWQFEPOPGAQ-SRHPJPHMSA-N 2 0 328.500 3.180 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000414168700 309064477 /nfs/dbraw/zinc/06/44/77/309064477.db2.gz APYRVIAVZWZXCB-JKSUJKDBSA-N 2 0 348.487 3.464 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414173798 309064546 /nfs/dbraw/zinc/06/45/46/309064546.db2.gz GDXVKLNHNCWGDA-AZUAARDMSA-N 2 0 341.503 3.039 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000155661310 307818086 /nfs/dbraw/zinc/81/80/86/307818086.db2.gz RROXKRTZYFQIQA-LSDHHAIUSA-N 2 0 343.437 3.382 20 0 EGADRP Cc1ccc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000161542581 307904034 /nfs/dbraw/zinc/90/40/34/307904034.db2.gz QZFYKKNCBJVVKZ-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000414327730 309073084 /nfs/dbraw/zinc/07/30/84/309073084.db2.gz NBKQBTNPQFJWTL-UHFFFAOYSA-N 2 0 330.451 3.141 20 0 EGADRP CC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165593032 307929986 /nfs/dbraw/zinc/92/99/86/307929986.db2.gz UCJNUDAHEJVZRI-ZDUSSCGKSA-N 2 0 329.410 3.345 20 0 EGADRP CCc1ncc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000414365155 309075445 /nfs/dbraw/zinc/07/54/45/309075445.db2.gz KAUPZQACDCWXDR-MJGOQNOKSA-N 2 0 338.499 3.429 20 0 EGADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248417575 308002535 /nfs/dbraw/zinc/00/25/35/308002535.db2.gz RLGQUNKLPLUCRX-YSTOQKLRSA-N 2 0 330.516 3.284 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248674598 308009079 /nfs/dbraw/zinc/00/90/79/308009079.db2.gz WZPJIBSVSJEUPQ-GPMSIDNRSA-N 2 0 339.524 3.096 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)[C@H](C)C1 ZINC000248766139 308011238 /nfs/dbraw/zinc/01/12/38/308011238.db2.gz GXFLKJPKLKMPNH-FCGDIQPGSA-N 2 0 340.552 3.305 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000255276190 308044748 /nfs/dbraw/zinc/04/47/48/308044748.db2.gz CZNSGDWKDCKPLC-LLHWWHOWSA-N 2 0 333.907 3.065 20 0 EGADRP CC(C)(C[NH2+]Cc1cnn(CC(F)F)c1)N1CCc2ccccc2C1 ZINC000292942962 308082337 /nfs/dbraw/zinc/08/23/37/308082337.db2.gz IRVBSNIJHGMVGH-UHFFFAOYSA-N 2 0 348.441 3.075 20 0 EGADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293219709 308110757 /nfs/dbraw/zinc/11/07/57/308110757.db2.gz AHZFEARCATVDHU-LJQANCHMSA-N 2 0 348.487 3.015 20 0 EGADRP CC(C)O[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000293358782 308123319 /nfs/dbraw/zinc/12/33/19/308123319.db2.gz YJNOQCIYCHPDSC-OAQYLSRUSA-N 2 0 347.547 3.111 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(Cl)c1 ZINC000293761841 308159747 /nfs/dbraw/zinc/15/97/47/308159747.db2.gz SEDUAJPZFQBXOM-KGLIPLIRSA-N 2 0 325.884 3.153 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293764692 308159829 /nfs/dbraw/zinc/15/98/29/308159829.db2.gz ROINLGGXDAWFND-CMKODMSKSA-N 2 0 345.531 3.039 20 0 EGADRP C[NH+](C)Cc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000414494599 309084418 /nfs/dbraw/zinc/08/44/18/309084418.db2.gz FPQJFURSAYRLBX-UHFFFAOYSA-N 2 0 342.462 3.359 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000293916117 308173714 /nfs/dbraw/zinc/17/37/14/308173714.db2.gz XDLKNGGUTILUKY-SFHVURJKSA-N 2 0 328.504 3.036 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000294270097 308205578 /nfs/dbraw/zinc/20/55/78/308205578.db2.gz LTVGGLRJHOZGTG-IBGZPJMESA-N 2 0 330.472 3.388 20 0 EGADRP COC(=O)c1cccc(C[N@H+](C)CCCn2ccnc2C)c1Cl ZINC000294922819 308271830 /nfs/dbraw/zinc/27/18/30/308271830.db2.gz JLAMGVXHKXDSKT-UHFFFAOYSA-N 2 0 335.835 3.154 20 0 EGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414656815 309093999 /nfs/dbraw/zinc/09/39/99/309093999.db2.gz GEUWWBKACLSKRG-JKSUJKDBSA-N 2 0 339.487 3.229 20 0 EGADRP CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000295860484 308368369 /nfs/dbraw/zinc/36/83/69/308368369.db2.gz FLHGPRQNCVORFT-HOTGVXAUSA-N 2 0 330.476 3.255 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000414653746 309093636 /nfs/dbraw/zinc/09/36/36/309093636.db2.gz IGFJCCZTAPFYDI-BEFAXECRSA-N 2 0 334.479 3.477 20 0 EGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414656810 309093919 /nfs/dbraw/zinc/09/39/19/309093919.db2.gz GEUWWBKACLSKRG-HOTGVXAUSA-N 2 0 339.487 3.229 20 0 EGADRP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695706 309095810 /nfs/dbraw/zinc/09/58/10/309095810.db2.gz OMBUDNPAMUMLMN-HUUCEWRRSA-N 2 0 337.895 3.379 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414745546 309098549 /nfs/dbraw/zinc/09/85/49/309098549.db2.gz KZQRNLZSNAHELF-VXGBXAGGSA-N 2 0 329.257 3.408 20 0 EGADRP CC[NH+]1CCN(c2ccc(NC3CC[NH+](C4CC4)CC3)c(C)c2)CC1 ZINC000297669595 308554964 /nfs/dbraw/zinc/55/49/64/308554964.db2.gz KBWBKZOONLBQPJ-UHFFFAOYSA-N 2 0 342.531 3.176 20 0 EGADRP Brc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414775290 309100285 /nfs/dbraw/zinc/10/02/85/309100285.db2.gz GLBHKBMIRKQFBQ-CHWSQXEVSA-N 2 0 329.307 3.332 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778596 309100541 /nfs/dbraw/zinc/10/05/41/309100541.db2.gz JIXRAVAMMAIZHT-KBPBESRZSA-N 2 0 346.425 3.176 20 0 EGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414782577 309100835 /nfs/dbraw/zinc/10/08/35/309100835.db2.gz FDVSTHYZOQWBEL-UHFFFAOYSA-N 2 0 342.487 3.155 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414791962 309101585 /nfs/dbraw/zinc/10/15/85/309101585.db2.gz BQIBFMZPGAZNNS-VQIMIIECSA-N 2 0 335.923 3.412 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414791956 309101633 /nfs/dbraw/zinc/10/16/33/309101633.db2.gz BQIBFMZPGAZNNS-APWZRJJASA-N 2 0 335.923 3.412 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414812292 309103148 /nfs/dbraw/zinc/10/31/48/309103148.db2.gz QZFITVFZLYCDAZ-AWEZNQCLSA-N 2 0 339.911 3.184 20 0 EGADRP Fc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414836979 309104566 /nfs/dbraw/zinc/10/45/66/309104566.db2.gz JWZARJUDAWHBCT-GFCCVEGCSA-N 2 0 334.357 3.246 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000305133348 308758482 /nfs/dbraw/zinc/75/84/82/308758482.db2.gz MPRGNPYVJIZRMV-SJORKVTESA-N 2 0 339.524 3.144 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414845291 309105099 /nfs/dbraw/zinc/10/50/99/309105099.db2.gz GACDOQJYLLXBPL-CYBMUJFWSA-N 2 0 328.403 3.166 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411385944 308936681 /nfs/dbraw/zinc/93/66/81/308936681.db2.gz KLLLZWJPKVVUMV-GOSISDBHSA-N 2 0 343.515 3.277 20 0 EGADRP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411444118 308939258 /nfs/dbraw/zinc/93/92/58/308939258.db2.gz ZOAKFLSDROELCG-LJQANCHMSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[NH2+]CCN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414866352 309106276 /nfs/dbraw/zinc/10/62/76/309106276.db2.gz GLCYLOIXIPQPDM-GFCCVEGCSA-N 2 0 331.382 3.012 20 0 EGADRP Cc1cc(Br)cc(C[NH2+][C@@H](C)CC[NH3+])c1OC(F)F ZINC000414884799 309107085 /nfs/dbraw/zinc/10/70/85/309107085.db2.gz BHQKDYZJBKDIDV-VIFPVBQESA-N 2 0 337.208 3.186 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414898684 309108133 /nfs/dbraw/zinc/10/81/33/309108133.db2.gz TUIBXYICZCZXKZ-CYBMUJFWSA-N 2 0 331.847 3.419 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414903859 309108403 /nfs/dbraw/zinc/10/84/03/309108403.db2.gz LVSHACPBWJMYQQ-UHFFFAOYSA-N 2 0 331.847 3.421 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC[NH2+]1 ZINC000414946790 309110803 /nfs/dbraw/zinc/11/08/03/309110803.db2.gz KCXLOSRNHZXXSI-HIFRSBDPSA-N 2 0 339.886 3.174 20 0 EGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414963272 309111933 /nfs/dbraw/zinc/11/19/33/309111933.db2.gz DAVVVGIULAUEFU-HNNXBMFYSA-N 2 0 349.906 3.066 20 0 EGADRP COc1ccc(Br)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414976825 309112565 /nfs/dbraw/zinc/11/25/65/309112565.db2.gz QKFVUHYIYFDBIK-ZDUSSCGKSA-N 2 0 327.266 3.080 20 0 EGADRP CCC(CC)(C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414982580 309112732 /nfs/dbraw/zinc/11/27/32/309112732.db2.gz ZCTMMFTUOHSBKL-UHFFFAOYSA-N 2 0 346.519 3.354 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000414987755 309112967 /nfs/dbraw/zinc/11/29/67/309112967.db2.gz DYMXGCPCPVWCSE-MOPGFXCFSA-N 2 0 325.456 3.268 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415005749 309113752 /nfs/dbraw/zinc/11/37/52/309113752.db2.gz PSFAHKXZIHSLCC-HOCLYGCPSA-N 2 0 348.441 3.374 20 0 EGADRP COc1ccc(Br)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415003413 309113818 /nfs/dbraw/zinc/11/38/18/309113818.db2.gz XCQXBTBWOSPCDM-DGCLKSJQSA-N 2 0 327.266 3.065 20 0 EGADRP COc1cc(Br)c(C[NH2+][C@@H](C)CCCC[NH3+])c(OC)c1 ZINC000415009263 309114026 /nfs/dbraw/zinc/11/40/26/309114026.db2.gz FDIXDPMWHUDDGQ-NSHDSACASA-N 2 0 345.281 3.073 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000415013291 309114187 /nfs/dbraw/zinc/11/41/87/309114187.db2.gz KIFSQNFFIHJPPU-NSHDSACASA-N 2 0 328.382 3.199 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000415013663 309114210 /nfs/dbraw/zinc/11/42/10/309114210.db2.gz YVFZVEWAUNIYLZ-GXTWGEPZSA-N 2 0 346.393 3.243 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)s2)cn1 ZINC000415032815 309115495 /nfs/dbraw/zinc/11/54/95/309115495.db2.gz AXEMTXOFJWUFBI-PBHICJAKSA-N 2 0 330.501 3.113 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000415041579 309116047 /nfs/dbraw/zinc/11/60/47/309116047.db2.gz PZRCWMUGFNQKPV-COXVUDFISA-N 2 0 338.879 3.115 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000415040746 309116106 /nfs/dbraw/zinc/11/61/06/309116106.db2.gz PIBLURYJYRQWSX-ABAIWWIYSA-N 2 0 338.377 3.313 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415046322 309116300 /nfs/dbraw/zinc/11/63/00/309116300.db2.gz UYMXFSYMJDGFLO-GOEBONIOSA-N 2 0 332.879 3.360 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 ZINC000415053305 309116724 /nfs/dbraw/zinc/11/67/24/309116724.db2.gz MLHGGCSJVYQBPF-KRWDZBQOSA-N 2 0 330.501 3.182 20 0 EGADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415055397 309116955 /nfs/dbraw/zinc/11/69/55/309116955.db2.gz OSMSOYCDHLZHMD-PKOBYXMFSA-N 2 0 331.504 3.237 20 0 EGADRP CC1CCN([C@H](C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c2cccs2)CC1 ZINC000415079514 309118910 /nfs/dbraw/zinc/11/89/10/309118910.db2.gz HWOZSMGVYJMSSP-OKZBNKHCSA-N 2 0 335.561 3.499 20 0 EGADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415082997 309118968 /nfs/dbraw/zinc/11/89/68/309118968.db2.gz MPBRZSKKLHSYLF-AAEUAGOBSA-N 2 0 329.257 3.108 20 0 EGADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415091393 309119677 /nfs/dbraw/zinc/11/96/77/309119677.db2.gz ZBGFZDSWIQKZBR-WCQYABFASA-N 2 0 329.257 3.251 20 0 EGADRP CCOc1ccc(C2(C[NH2+]C[C@@H]3CC[NH2+][C@H](C)C3)CCOCC2)cc1 ZINC000415092117 309119681 /nfs/dbraw/zinc/11/96/81/309119681.db2.gz SCYFBNAUZHWXSC-QZTJIDSGSA-N 2 0 346.515 3.111 20 0 EGADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415123405 309121973 /nfs/dbraw/zinc/12/19/73/309121973.db2.gz JLALHMGETGJZDK-FUHWJXTLSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCSCc3ccccc3)CC2)C1 ZINC000415124784 309122086 /nfs/dbraw/zinc/12/20/86/309122086.db2.gz NHRQWPWLVUBIMG-RBUKOAKNSA-N 2 0 334.529 3.138 20 0 EGADRP C[NH2+]CCCN(C)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000415124907 309122114 /nfs/dbraw/zinc/12/21/14/309122114.db2.gz DARBCOAVXDTYFJ-UHFFFAOYSA-N 2 0 328.456 3.316 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OC(F)F)CC2)C1 ZINC000415129403 309122517 /nfs/dbraw/zinc/12/25/17/309122517.db2.gz USFVMFROTDUNQX-RDJZCZTQSA-N 2 0 340.414 3.006 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000415130719 309122596 /nfs/dbraw/zinc/12/25/96/309122596.db2.gz RLOQSUQFWNHZPP-IAGOWNOFSA-N 2 0 340.414 3.006 20 0 EGADRP c1cc(-c2ccccc2)oc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415144551 309123571 /nfs/dbraw/zinc/12/35/71/309123571.db2.gz VKRDLSBDTJPJGW-MOPGFXCFSA-N 2 0 338.451 3.147 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000415925800 309149161 /nfs/dbraw/zinc/14/91/61/309149161.db2.gz UIESIJDORXYORG-DNVCBOLYSA-N 2 0 340.471 3.219 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)CC(C)C ZINC000415934273 309149634 /nfs/dbraw/zinc/14/96/34/309149634.db2.gz RIXONKNPANBFOL-GOSISDBHSA-N 2 0 334.508 3.284 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415939712 309150148 /nfs/dbraw/zinc/15/01/48/309150148.db2.gz ZJCHVLYQQWERMZ-HOTGVXAUSA-N 2 0 332.492 3.038 20 0 EGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000415969281 309151897 /nfs/dbraw/zinc/15/18/97/309151897.db2.gz DOZBKRBGNYNXLO-UHFFFAOYSA-N 2 0 340.471 3.049 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972754 309152158 /nfs/dbraw/zinc/15/21/58/309152158.db2.gz IUBFBTCRSMSKJN-AEFFLSMTSA-N 2 0 332.492 3.167 20 0 EGADRP C[C@@H](CCNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000415981609 309152633 /nfs/dbraw/zinc/15/26/33/309152633.db2.gz WLATXOVKSUONRG-INIZCTEOSA-N 2 0 340.471 3.177 20 0 EGADRP C[NH+](C)C1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000416820447 309182437 /nfs/dbraw/zinc/18/24/37/309182437.db2.gz KPDYZINFRIHGKJ-SFHVURJKSA-N 2 0 346.519 3.030 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417310552 309201255 /nfs/dbraw/zinc/20/12/55/309201255.db2.gz KLEMNMWKCGKQFM-VSZNYVQBSA-N 2 0 335.561 3.103 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000417353281 309202672 /nfs/dbraw/zinc/20/26/72/309202672.db2.gz ILHZQKHVKFATGE-VAMGGRTRSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000417702675 309218858 /nfs/dbraw/zinc/21/88/58/309218858.db2.gz KOJWFGPDLYCRCB-BQFCYCMXSA-N 2 0 346.519 3.027 20 0 EGADRP [NH3+]Cc1cc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000417824369 309224136 /nfs/dbraw/zinc/22/41/36/309224136.db2.gz LOGOIOUWWGYYLS-SMDDNHRTSA-N 2 0 329.366 3.010 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000417982212 309230509 /nfs/dbraw/zinc/23/05/09/309230509.db2.gz MXMMIJJORXBOMU-VSKRKVRLSA-N 2 0 336.479 3.147 20 0 EGADRP Cc1[nH+]c2cc(NCc3cn4cc(C)ccc4n3)ccc2n1[C@H](C)CO ZINC000419763848 309271681 /nfs/dbraw/zinc/27/16/81/309271681.db2.gz OHMPPTXGKWFCLI-CQSZACIVSA-N 2 0 349.438 3.466 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2cc1OCC ZINC000420261099 309278417 /nfs/dbraw/zinc/27/84/17/309278417.db2.gz OQVKDQCBPRGTJQ-LSDHHAIUSA-N 2 0 341.455 3.078 20 0 EGADRP CC[N@H+](CCOc1ccc(Br)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420300270 309280155 /nfs/dbraw/zinc/28/01/55/309280155.db2.gz JUUSAALNHUKEBE-CQSZACIVSA-N 2 0 341.293 3.149 20 0 EGADRP Clc1ccc(O[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420303419 309280452 /nfs/dbraw/zinc/28/04/52/309280452.db2.gz NIGNKRCJYCONQD-TZMCWYRMSA-N 2 0 329.271 3.446 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000420305708 309280645 /nfs/dbraw/zinc/28/06/45/309280645.db2.gz QABCGIGIBZYVSD-QMMLZNLJSA-N 2 0 326.484 3.227 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420305324 309280726 /nfs/dbraw/zinc/28/07/26/309280726.db2.gz YVCHTDFYXIPMLU-CYBMUJFWSA-N 2 0 330.428 3.169 20 0 EGADRP c1cc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313138 309281339 /nfs/dbraw/zinc/28/13/39/309281339.db2.gz PEBRZCBXNKKKHQ-FUHWJXTLSA-N 3 0 333.545 3.082 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](c2ncccc2C)C(C)C)cc1 ZINC000420319624 309281773 /nfs/dbraw/zinc/28/17/73/309281773.db2.gz PHVHHYIGFROGHQ-PKOBYXMFSA-N 2 0 327.472 3.428 20 0 EGADRP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000420323375 309282181 /nfs/dbraw/zinc/28/21/81/309282181.db2.gz TWSOLHUIBJBNTO-INIZCTEOSA-N 2 0 336.277 3.460 20 0 EGADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420328919 309282500 /nfs/dbraw/zinc/28/25/00/309282500.db2.gz NLSAXYVTTZXJHH-HZPDHXFCSA-N 2 0 329.419 3.302 20 0 EGADRP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420338801 309283279 /nfs/dbraw/zinc/28/32/79/309283279.db2.gz XZVNZISFCKIFNG-JKSUJKDBSA-N 2 0 344.434 3.006 20 0 EGADRP FC(F)(F)c1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420378830 309285264 /nfs/dbraw/zinc/28/52/64/309285264.db2.gz UQQZAAZXUWAMJE-RHSMWYFYSA-N 2 0 342.405 3.468 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000421318838 309318243 /nfs/dbraw/zinc/31/82/43/309318243.db2.gz IKUHTKVGCHPQKX-LAUBAEHRSA-N 2 0 327.516 3.022 20 0 EGADRP OC1(CCC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000421374052 309321397 /nfs/dbraw/zinc/32/13/97/309321397.db2.gz NBDDSURFNPWXHJ-XUVXKRRUSA-N 2 0 328.500 3.182 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000421835030 309342537 /nfs/dbraw/zinc/34/25/37/309342537.db2.gz PILLMGCJEITKBP-GOEBONIOSA-N 2 0 340.895 3.236 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2sccc2C1 ZINC000422715059 309364295 /nfs/dbraw/zinc/36/42/95/309364295.db2.gz LVHMSUBYIPWEKG-VDHUWJSZSA-N 2 0 333.545 3.005 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422711777 309364492 /nfs/dbraw/zinc/36/44/92/309364492.db2.gz GGADVPPZNWUBEV-OXJNMPFZSA-N 2 0 325.456 3.138 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422725497 309365064 /nfs/dbraw/zinc/36/50/64/309365064.db2.gz YDVILMSDSXHNBD-DOMZBBRYSA-N 2 0 326.868 3.225 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422751438 309366681 /nfs/dbraw/zinc/36/66/81/309366681.db2.gz COYIKPSDYRSEIR-FUHWJXTLSA-N 2 0 332.488 3.357 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)CC[NH2+]CC1 ZINC000422765817 309367098 /nfs/dbraw/zinc/36/70/98/309367098.db2.gz LHIBTVIJQPUQIS-LSDHHAIUSA-N 2 0 344.455 3.405 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422781132 309367889 /nfs/dbraw/zinc/36/78/89/309367889.db2.gz KKRQFWLARRXLRR-OFQRWUPVSA-N 2 0 330.451 3.359 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784728 309368137 /nfs/dbraw/zinc/36/81/37/309368137.db2.gz JBEMXDJFSGBLLY-LPHOPBHVSA-N 2 0 344.478 3.454 20 0 EGADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422789749 309368403 /nfs/dbraw/zinc/36/84/03/309368403.db2.gz BNFOXAVDTNWNDW-GUDVDZBRSA-N 2 0 329.488 3.291 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2cccs2)C2CC2)CC[NH2+]CC1 ZINC000422797558 309368779 /nfs/dbraw/zinc/36/87/79/309368779.db2.gz NIPBVXOJDSMOOQ-BBRMVZONSA-N 2 0 336.501 3.110 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000422798292 309369032 /nfs/dbraw/zinc/36/90/32/309369032.db2.gz QNIQDCNZNMXKIC-IOASZLSFSA-N 2 0 341.293 3.324 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000422811527 309369684 /nfs/dbraw/zinc/36/96/84/309369684.db2.gz WHHGLBCZTJFNDW-WCRBZPEASA-N 3 0 327.516 3.291 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422857144 309372266 /nfs/dbraw/zinc/37/22/66/309372266.db2.gz HAIAYTLUXOICKT-ZEDDUWKQSA-N 3 0 327.516 3.434 20 0 EGADRP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422860819 309372403 /nfs/dbraw/zinc/37/24/03/309372403.db2.gz LWCNZMGAAPZEMK-HSALFYBXSA-N 2 0 341.499 3.214 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867135 309372705 /nfs/dbraw/zinc/37/27/05/309372705.db2.gz RPHDWSOLSIHEBE-YSSFQJQWSA-N 2 0 326.440 3.321 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+]C3CCC(C[NH3+])CC3)cc2)n1 ZINC000422868946 309372912 /nfs/dbraw/zinc/37/29/12/309372912.db2.gz WHQHQLARYJEADQ-UHFFFAOYSA-N 2 0 326.488 3.139 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(OCCC(C)C)c1 ZINC000422869102 309372969 /nfs/dbraw/zinc/37/29/69/309372969.db2.gz WDCYJMNIDIYLMW-NZSAHSFTSA-N 2 0 334.504 3.262 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422872535 309372984 /nfs/dbraw/zinc/37/29/84/309372984.db2.gz HMMUVKCSPJDRBG-OSZJIOELSA-N 2 0 337.511 3.198 20 0 EGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422874050 309373290 /nfs/dbraw/zinc/37/32/90/309373290.db2.gz BYUNZOOEEVZYID-IRXDYDNUSA-N 2 0 339.483 3.140 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422895002 309374830 /nfs/dbraw/zinc/37/48/30/309374830.db2.gz UVUQNXMZGIJRSI-VQIMIIECSA-N 2 0 341.430 3.295 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422900662 309374942 /nfs/dbraw/zinc/37/49/42/309374942.db2.gz QVINUHKBBMZCDX-PCCBWWKXSA-N 3 0 345.531 3.027 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901287 309375134 /nfs/dbraw/zinc/37/51/34/309375134.db2.gz RVKFRTFAYYBNPY-ZBFHGGJFSA-N 2 0 342.462 3.165 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422909443 309375849 /nfs/dbraw/zinc/37/58/49/309375849.db2.gz OAZUHBHXFYASIS-WOSRLPQWSA-N 2 0 327.875 3.159 20 0 EGADRP Cc1cccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422926144 309376465 /nfs/dbraw/zinc/37/64/65/309376465.db2.gz COASRHFUPMNTSP-PZJWPPBQSA-N 2 0 338.451 3.219 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422936992 309376978 /nfs/dbraw/zinc/37/69/78/309376978.db2.gz NKVCUWXIKRRFNV-CABCVRRESA-N 2 0 329.257 3.380 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935081 309377006 /nfs/dbraw/zinc/37/70/06/309377006.db2.gz KMWZACBSNRSVTF-ABAIWWIYSA-N 2 0 329.257 3.108 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422945250 309377521 /nfs/dbraw/zinc/37/75/21/309377521.db2.gz NGDRIGBVICCMNW-GOEBONIOSA-N 2 0 344.528 3.243 20 0 EGADRP CC(C)(C)c1ccccc1OCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422954513 309377770 /nfs/dbraw/zinc/37/77/70/309377770.db2.gz HRLDOESENDGQTQ-YTQUADARSA-N 2 0 346.515 3.110 20 0 EGADRP CC(C)(C)c1ccccc1OCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422954512 309377852 /nfs/dbraw/zinc/37/78/52/309377852.db2.gz HRLDOESENDGQTQ-QXAKKESOSA-N 2 0 346.515 3.110 20 0 EGADRP O=C(C1CCC1)N(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000422959415 309378225 /nfs/dbraw/zinc/37/82/25/309378225.db2.gz RXJPUQONBWSTPW-HSALFYBXSA-N 2 0 347.547 3.068 20 0 EGADRP CSc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000422986946 309379590 /nfs/dbraw/zinc/37/95/90/309379590.db2.gz HPJXVCRKMHFMKT-QFBILLFUSA-N 2 0 341.480 3.149 20 0 EGADRP COCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423003696 309380442 /nfs/dbraw/zinc/38/04/42/309380442.db2.gz NBHFOFVBPJVBIL-HNNXBMFYSA-N 2 0 343.471 3.115 20 0 EGADRP CC[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005143 309380550 /nfs/dbraw/zinc/38/05/50/309380550.db2.gz QWJGWQLKMOGKKQ-HZEGPAAWSA-N 3 0 329.532 3.407 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2c(C)cc(C)cc2C)CC[NH2+]CC1 ZINC000423006568 309380581 /nfs/dbraw/zinc/38/05/81/309380581.db2.gz VWBQRRNSNLBSMJ-SFHVURJKSA-N 2 0 346.515 3.065 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCc2ccccc21 ZINC000423014222 309381075 /nfs/dbraw/zinc/38/10/75/309381075.db2.gz HWKUGQIQPNKKNN-GFOJFJKKSA-N 2 0 328.500 3.027 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423052149 309383136 /nfs/dbraw/zinc/38/31/36/309383136.db2.gz PVQNJODIZGXODF-RYGJVYDSSA-N 2 0 342.483 3.469 20 0 EGADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423053516 309383377 /nfs/dbraw/zinc/38/33/77/309383377.db2.gz SRDQSKIOBNIRGP-VNQPRFMTSA-N 2 0 329.410 3.025 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423068011 309384087 /nfs/dbraw/zinc/38/40/87/309384087.db2.gz JETTYHLURKCKRJ-JSXRDJHFSA-N 2 0 330.516 3.248 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065466 309384167 /nfs/dbraw/zinc/38/41/67/309384167.db2.gz UMYHPLUMRLUANL-DXBBTUNJSA-N 2 0 341.543 3.407 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000423066145 309384186 /nfs/dbraw/zinc/38/41/86/309384186.db2.gz WDEZUWYVUFUGNJ-YMAMQOFZSA-N 2 0 341.421 3.391 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423084911 309385193 /nfs/dbraw/zinc/38/51/93/309385193.db2.gz IYEANFBIVUEZFE-WMLDXEAASA-N 2 0 329.419 3.491 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000423094009 309385612 /nfs/dbraw/zinc/38/56/12/309385612.db2.gz IXQDXHIFDQDQRO-JQWIXIFHSA-N 2 0 349.276 3.418 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423095096 309385837 /nfs/dbraw/zinc/38/58/37/309385837.db2.gz LJFVPODYEGTJCK-VCQFHVMDSA-N 2 0 342.405 3.293 20 0 EGADRP CCc1nc2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)ccc2n1C1CC1 ZINC000423107834 309386286 /nfs/dbraw/zinc/38/62/86/309386286.db2.gz FJLWQFFMLLEOID-RHSMWYFYSA-N 2 0 326.488 3.411 20 0 EGADRP Clc1ccc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423111549 309386548 /nfs/dbraw/zinc/38/65/48/309386548.db2.gz WHCIGOAAYGRVFB-BZUAXINKSA-N 2 0 342.936 3.471 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423125903 309387234 /nfs/dbraw/zinc/38/72/34/309387234.db2.gz IKFHDJHOUTXZGA-VQIMIIECSA-N 2 0 344.499 3.091 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423136868 309387802 /nfs/dbraw/zinc/38/78/02/309387802.db2.gz PUDYVQNMASROMS-GUYCJALGSA-N 2 0 337.389 3.191 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423142258 309388241 /nfs/dbraw/zinc/38/82/41/309388241.db2.gz UUEBSRMYTSDIOY-MQEZQYLSSA-N 2 0 327.516 3.161 20 0 EGADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423153311 309388563 /nfs/dbraw/zinc/38/85/63/309388563.db2.gz NCLOURSLKOISNE-GKBFQHABSA-N 2 0 344.499 3.283 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)(F)F ZINC000423181623 309389266 /nfs/dbraw/zinc/38/92/66/309389266.db2.gz LGWOZPZNWGPXBQ-BJJXKVORSA-N 2 0 328.378 3.420 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423232572 309391645 /nfs/dbraw/zinc/39/16/45/309391645.db2.gz INUXZTMXUMSNPS-TUFLPTIASA-N 3 0 327.516 3.019 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423250926 309392298 /nfs/dbraw/zinc/39/22/98/309392298.db2.gz RFQDCRDANRWMGS-ZDFPQIBNSA-N 3 0 341.543 3.266 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000423249598 309392349 /nfs/dbraw/zinc/39/23/49/309392349.db2.gz OYWKLQRURLPOTE-NWDGAFQWSA-N 2 0 327.266 3.108 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423259784 309392817 /nfs/dbraw/zinc/39/28/17/309392817.db2.gz OWACNNAYNKEDJJ-OLZOCXBDSA-N 2 0 341.293 3.498 20 0 EGADRP C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268947 309393296 /nfs/dbraw/zinc/39/32/96/309393296.db2.gz VJIYXHSRTZZNCU-OXJNMPFZSA-N 2 0 333.520 3.185 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423280962 309393771 /nfs/dbraw/zinc/39/37/71/309393771.db2.gz VBEMNARVNSRGDR-RHSMWYFYSA-N 2 0 332.879 3.142 20 0 EGADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423300609 309394401 /nfs/dbraw/zinc/39/44/01/309394401.db2.gz SAUXCFGSCDGXDK-DOIPELPJSA-N 2 0 329.532 3.394 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423317476 309394900 /nfs/dbraw/zinc/39/49/00/309394900.db2.gz BMVDJMDAJVOXDL-AWEZNQCLSA-N 2 0 330.476 3.011 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423318128 309394950 /nfs/dbraw/zinc/39/49/50/309394950.db2.gz CCWHGJKULXYPMX-ZHALLVOQSA-N 2 0 345.531 3.197 20 0 EGADRP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000423322931 309395105 /nfs/dbraw/zinc/39/51/05/309395105.db2.gz HOBQAGDHWSIQAW-SFHVURJKSA-N 2 0 329.488 3.389 20 0 EGADRP CC1(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC[NH2+]CC1 ZINC000423325244 309395241 /nfs/dbraw/zinc/39/52/41/309395241.db2.gz JGXGZBFOUUHEGQ-QZTJIDSGSA-N 2 0 336.907 3.409 20 0 EGADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423328978 309395604 /nfs/dbraw/zinc/39/56/04/309395604.db2.gz AZYDBSXQNZLZLM-OAHLLOKOSA-N 2 0 337.261 3.172 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423335864 309395853 /nfs/dbraw/zinc/39/58/53/309395853.db2.gz SFLOAFDVVKLDTA-UZLBHIALSA-N 2 0 342.487 3.039 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423344172 309396164 /nfs/dbraw/zinc/39/61/64/309396164.db2.gz NYOADPSOKDRCBD-NHCUHLMSSA-N 2 0 339.483 3.353 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccc5c(c4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC000423366187 309397217 /nfs/dbraw/zinc/39/72/17/309397217.db2.gz BQTHCQIIIMRYMN-MDNUFGMLSA-N 2 0 347.506 3.290 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423393747 309398287 /nfs/dbraw/zinc/39/82/87/309398287.db2.gz QZIIERVSJVYIKH-YXJHDRRASA-N 2 0 332.492 3.481 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC[NH2+]CC1 ZINC000423405752 309398870 /nfs/dbraw/zinc/39/88/70/309398870.db2.gz ZOWHVXVTIXXSBB-AWEZNQCLSA-N 2 0 342.430 3.263 20 0 EGADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1-n1ccnn1 ZINC000423504788 309403611 /nfs/dbraw/zinc/40/36/11/309403611.db2.gz HCTTXMGOVRKPTL-LPHOPBHVSA-N 2 0 335.455 3.398 20 0 EGADRP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539226 309405699 /nfs/dbraw/zinc/40/56/99/309405699.db2.gz HZBHNLVQLJXSNM-ZFRZLUBXSA-N 2 0 335.289 3.414 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nc2ccc(Cl)cc2n1C ZINC000423541713 309405807 /nfs/dbraw/zinc/40/58/07/309405807.db2.gz LMHYDEIABCXAQA-RMRHIDDWSA-N 2 0 332.879 3.265 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423541667 309405870 /nfs/dbraw/zinc/40/58/70/309405870.db2.gz LHFWCGRVMHEGSU-AFIMGQEJSA-N 2 0 329.444 3.208 20 0 EGADRP [NH3+][C@@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000423798056 309413198 /nfs/dbraw/zinc/41/31/98/309413198.db2.gz NYAIXLCFLLWWTI-FQEVSTJZSA-N 2 0 343.515 3.191 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000423832552 309415320 /nfs/dbraw/zinc/41/53/20/309415320.db2.gz ABGJPIVVAOUUAA-MSOLQXFVSA-N 2 0 329.488 3.027 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424438860 309444000 /nfs/dbraw/zinc/44/40/00/309444000.db2.gz QRRSFPZKANTSOH-IEBWSBKVSA-N 2 0 346.519 3.476 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000424445764 309444164 /nfs/dbraw/zinc/44/41/64/309444164.db2.gz PHCNTUCHMKIDGF-SFHVURJKSA-N 2 0 344.434 3.017 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000430579430 309611664 /nfs/dbraw/zinc/61/16/64/309611664.db2.gz GINRFHTYWCYROP-NVXWUHKLSA-N 2 0 349.544 3.122 20 0 EGADRP [NH3+]CC1CC[NH+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000430632025 309613442 /nfs/dbraw/zinc/61/34/42/309613442.db2.gz WHHIMBWJAGNCSZ-UHFFFAOYSA-N 2 0 335.536 3.151 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000430698458 309615308 /nfs/dbraw/zinc/61/53/08/309615308.db2.gz NLSBXZJZELYUDT-UHOSZYNNSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430954274 309622084 /nfs/dbraw/zinc/62/20/84/309622084.db2.gz WCUWHDHGRBUTBA-GFCCVEGCSA-N 2 0 332.366 3.023 20 0 EGADRP CCc1cc(N2CCC(OCC[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000443901316 309909341 /nfs/dbraw/zinc/90/93/41/309909341.db2.gz ZIMPIIUYGIRPHL-UHFFFAOYSA-N 2 0 327.472 3.344 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446887381 309970280 /nfs/dbraw/zinc/97/02/80/309970280.db2.gz RWLSZNFXKAGPFE-UHFFFAOYSA-N 2 0 340.471 3.049 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000447598738 309983805 /nfs/dbraw/zinc/98/38/05/309983805.db2.gz IANJOUZXRQWDGE-MRXNPFEDSA-N 2 0 330.394 3.324 20 0 EGADRP Cc1cccc(CC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000449038505 310032271 /nfs/dbraw/zinc/03/22/71/310032271.db2.gz VBHKQJUHGKLBDN-UHFFFAOYSA-N 2 0 329.532 3.028 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCC[C@H]1C ZINC000449071195 310034670 /nfs/dbraw/zinc/03/46/70/310034670.db2.gz GOQLBABIMPRIAG-AOIWGVFYSA-N 2 0 330.520 3.138 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449132742 310039260 /nfs/dbraw/zinc/03/92/60/310039260.db2.gz WBHGUQCPRKMFGG-SFHVURJKSA-N 2 0 332.488 3.448 20 0 EGADRP COc1cc2ccccc2cc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000449147125 310040293 /nfs/dbraw/zinc/04/02/93/310040293.db2.gz FLQMDKXXCLPCQK-FQEVSTJZSA-N 2 0 342.483 3.175 20 0 EGADRP COc1cccc2c(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cccc12 ZINC000449151072 310040674 /nfs/dbraw/zinc/04/06/74/310040674.db2.gz VNAJBOPWTFBMRD-SFHVURJKSA-N 2 0 342.483 3.175 20 0 EGADRP CSCC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000449188767 310043198 /nfs/dbraw/zinc/04/31/98/310043198.db2.gz KYLJCSBUWMZXSE-YVZJPGBNSA-N 2 0 340.577 3.266 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000449235096 310046656 /nfs/dbraw/zinc/04/66/56/310046656.db2.gz SURYASBAEUJSQN-DBXWQHBBSA-N 2 0 329.532 3.154 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc4ccoc43)CC2)CC1 ZINC000449235757 310046785 /nfs/dbraw/zinc/04/67/85/310046785.db2.gz HKJFPTHMXWVIBC-UHFFFAOYSA-N 2 0 341.499 3.282 20 0 EGADRP Cc1cc(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)on1 ZINC000449322180 310053319 /nfs/dbraw/zinc/05/33/19/310053319.db2.gz WNXMPZMISKIXLW-KRWDZBQOSA-N 2 0 327.472 3.211 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000449335058 310054428 /nfs/dbraw/zinc/05/44/28/310054428.db2.gz YLCKZIRMZXANPX-HLAWJBBLSA-N 2 0 344.543 3.470 20 0 EGADRP CCO[C@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C[C@H]1C ZINC000449501814 310067381 /nfs/dbraw/zinc/06/73/81/310067381.db2.gz WEQLXXQQLZXHSU-NQIIRXRSSA-N 2 0 345.531 3.075 20 0 EGADRP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449578356 310073438 /nfs/dbraw/zinc/07/34/38/310073438.db2.gz KYQDZHFEGQRDFH-IFLJBQAJSA-N 2 0 328.500 3.038 20 0 EGADRP CCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000449596893 310074634 /nfs/dbraw/zinc/07/46/34/310074634.db2.gz CPTWJIQFPCJCSM-SLFFLAALSA-N 2 0 328.500 3.303 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CC[C@H](N4CC[NH+](CC)CC4)C3)c2c1 ZINC000450316907 310115119 /nfs/dbraw/zinc/11/51/19/310115119.db2.gz IRVANJUUWGZUQO-SFHVURJKSA-N 2 0 338.499 3.013 20 0 EGADRP CCc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc[nH+]1 ZINC000450334962 310116187 /nfs/dbraw/zinc/11/61/87/310116187.db2.gz VSJUHNKHEVSTER-KRWDZBQOSA-N 2 0 339.483 3.378 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000450472783 310124629 /nfs/dbraw/zinc/12/46/29/310124629.db2.gz GCNGPIYLOXQCAI-HUUCEWRRSA-N 2 0 330.463 3.243 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000450891234 310148206 /nfs/dbraw/zinc/14/82/06/310148206.db2.gz YYMJVWINPZLEQJ-BDTNDASRSA-N 2 0 341.543 3.313 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000453058134 310254914 /nfs/dbraw/zinc/25/49/14/310254914.db2.gz KAIGWVZXNPWJSI-ROUUACIJSA-N 2 0 338.499 3.429 20 0 EGADRP C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453074474 310256168 /nfs/dbraw/zinc/25/61/68/310256168.db2.gz GVMQGAXQWYJJAN-NJYVYQBISA-N 2 0 327.516 3.113 20 0 EGADRP COCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453095497 310257589 /nfs/dbraw/zinc/25/75/89/310257589.db2.gz SQDWEIFCTHJONS-NJYVYQBISA-N 2 0 346.515 3.072 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453225465 310265053 /nfs/dbraw/zinc/26/50/53/310265053.db2.gz MTJSQXRSLBXUOZ-NJDAHSKKSA-N 2 0 326.484 3.366 20 0 EGADRP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455848657 310379431 /nfs/dbraw/zinc/37/94/31/310379431.db2.gz JXDBLIVFRJETER-RDTXWAMCSA-N 2 0 332.492 3.087 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455936483 310382786 /nfs/dbraw/zinc/38/27/86/310382786.db2.gz RZFZSOORVDXKTF-PKOBYXMFSA-N 2 0 344.503 3.184 20 0 EGADRP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C[NH+]1CCCC1 ZINC000455946661 310383113 /nfs/dbraw/zinc/38/31/13/310383113.db2.gz WZIMYZQOSIXWKE-BEFAXECRSA-N 2 0 344.503 3.089 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1C ZINC000455945512 310383126 /nfs/dbraw/zinc/38/31/26/310383126.db2.gz WCWADIWORZIBCI-DKSSEZFCSA-N 2 0 344.503 3.182 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[N@H+](C)C3CCCC3)ccc21 ZINC000455948267 310383205 /nfs/dbraw/zinc/38/32/05/310383205.db2.gz YAANNQAURHFQJL-LJQANCHMSA-N 2 0 344.503 3.231 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000456211036 310393605 /nfs/dbraw/zinc/39/36/05/310393605.db2.gz XJUTZHNIJQQYDC-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP CC[NH+](CC)CCSCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456271257 310395933 /nfs/dbraw/zinc/39/59/33/310395933.db2.gz KTSAXGDMJRKOPL-GOSISDBHSA-N 2 0 349.544 3.249 20 0 EGADRP O=c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc(C2CC2)[nH]1 ZINC000459377703 310548287 /nfs/dbraw/zinc/54/82/87/310548287.db2.gz PZDWGUHUMVFTBE-UHFFFAOYSA-N 2 0 344.503 3.148 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000466733792 310658326 /nfs/dbraw/zinc/65/83/26/310658326.db2.gz WUEPPTWANXCPBU-UHFFFAOYSA-N 2 0 346.393 3.238 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C/C=C\c2ccncc2)cc1 ZINC000487260756 311018155 /nfs/dbraw/zinc/01/81/55/311018155.db2.gz ALTVVYVVZOHKKH-HYXAFXHYSA-N 2 0 325.456 3.215 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CS1 ZINC000488413338 311064605 /nfs/dbraw/zinc/06/46/05/311064605.db2.gz CLSQHRWYBQHKRR-XSLAGTTESA-N 2 0 340.577 3.264 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2CC(OC(C)(C)C)C2)cc1 ZINC000491032660 311161391 /nfs/dbraw/zinc/16/13/91/311161391.db2.gz OWXPZKKZQJJIMT-UHFFFAOYSA-N 2 0 334.504 3.105 20 0 EGADRP O=C(C=Cc1c[nH]cn1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000492810294 311294178 /nfs/dbraw/zinc/29/41/78/311294178.db2.gz HXLFLHZYZFCPFE-QWPQOLDESA-N 2 0 344.846 3.030 20 0 EGADRP Cc1ccccc1[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000495061875 311535075 /nfs/dbraw/zinc/53/50/75/311535075.db2.gz UQTAAIWWCHPQFS-WIYYLYMNSA-N 2 0 329.532 3.452 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495755106 311606289 /nfs/dbraw/zinc/60/62/89/311606289.db2.gz UJDDUNTZHMMVIJ-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[NH2+]C1CC[NH+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000497069726 311810994 /nfs/dbraw/zinc/81/09/94/311810994.db2.gz FLNMWVOSPXVUHH-INIZCTEOSA-N 2 0 341.540 3.246 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000498926912 311896231 /nfs/dbraw/zinc/89/62/31/311896231.db2.gz WRDYDEAWQRHCQI-MRXNPFEDSA-N 2 0 326.525 3.454 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000503926796 311996623 /nfs/dbraw/zinc/99/66/23/311996623.db2.gz HJOKUFZFOHYXMI-UHFFFAOYSA-N 2 0 330.394 3.449 20 0 EGADRP CCC(CC)NC(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506471589 312049826 /nfs/dbraw/zinc/04/98/26/312049826.db2.gz DNLBNVWEGLOVRO-FGTMMUONSA-N 2 0 337.552 3.266 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508901453 312105392 /nfs/dbraw/zinc/10/53/92/312105392.db2.gz YVXKNMVOBQOXBZ-PKOBYXMFSA-N 2 0 348.535 3.051 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510546659 312143050 /nfs/dbraw/zinc/14/30/50/312143050.db2.gz JDNDCZJTBDZYOB-WDSOQIARSA-N 2 0 333.520 3.269 20 0 EGADRP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000510963356 312151720 /nfs/dbraw/zinc/15/17/20/312151720.db2.gz ADQFDJKFRGYJGZ-CLAROIROSA-N 2 0 342.527 3.428 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000512188252 312178479 /nfs/dbraw/zinc/17/84/79/312178479.db2.gz XPDFEUNOIUZPSJ-CALCHBBNSA-N 2 0 334.479 3.455 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC4CCCCC4)CC3)C2)cc1 ZINC000512420169 312185119 /nfs/dbraw/zinc/18/51/19/312185119.db2.gz HXWFSPZKTUKTMX-JOCHJYFZSA-N 2 0 341.543 3.459 20 0 EGADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512665689 312191558 /nfs/dbraw/zinc/19/15/58/312191558.db2.gz HBXBWSSRMARKSH-MHTWAQMVSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000514711140 312240079 /nfs/dbraw/zinc/24/00/79/312240079.db2.gz KOQGEDDIIMNHEU-SWXIYASGSA-N 2 0 345.575 3.303 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000516828986 312343653 /nfs/dbraw/zinc/34/36/53/312343653.db2.gz ZAYZCNKNNSVHQR-QGZVFWFLSA-N 2 0 339.911 3.181 20 0 EGADRP Clc1cccc([C@H]2C[NH2+]CCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000517948624 312399299 /nfs/dbraw/zinc/39/92/99/312399299.db2.gz WZZNUXFXVLREQP-HXUWFJFHSA-N 2 0 341.886 3.132 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000528392453 313081882 /nfs/dbraw/zinc/08/18/82/313081882.db2.gz CZIBTKVNMMGDIX-ICSRJNTNSA-N 2 0 334.479 3.047 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CCC2 ZINC000530242385 313503947 /nfs/dbraw/zinc/50/39/47/313503947.db2.gz UEWHDKIUJHWYME-QUCCMNQESA-N 2 0 332.463 3.294 20 0 EGADRP FC(F)(F)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530240364 313504171 /nfs/dbraw/zinc/50/41/71/313504171.db2.gz LCVBWEJFMIYONV-QGZVFWFLSA-N 2 0 342.405 3.296 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000531691367 313702012 /nfs/dbraw/zinc/70/20/12/313702012.db2.gz RZWZQEAKHHEBOC-SFTDATJTSA-N 2 0 329.532 3.389 20 0 EGADRP CCn1nc(C)c(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1C ZINC000532497754 313806729 /nfs/dbraw/zinc/80/67/29/313806729.db2.gz NDIYOGZGNJBBAJ-OAHLLOKOSA-N 2 0 344.503 3.311 20 0 EGADRP COCCOc1ccccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535083153 314025478 /nfs/dbraw/zinc/02/54/78/314025478.db2.gz LVYVMVAVINGXTR-UHFFFAOYSA-N 2 0 334.504 3.264 20 0 EGADRP Cc1cc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c(C)cn1 ZINC000535774761 314072527 /nfs/dbraw/zinc/07/25/27/314072527.db2.gz FKRVODPAXZVKBN-UHFFFAOYSA-N 2 0 340.471 3.152 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000536848976 314150084 /nfs/dbraw/zinc/15/00/84/314150084.db2.gz XRYDCASYPVXFIS-GUDVDZBRSA-N 2 0 334.891 3.295 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1(C)C ZINC000537288655 314172200 /nfs/dbraw/zinc/17/22/00/314172200.db2.gz LYIKZPNUOJPVSV-VAMGGRTRSA-N 2 0 330.516 3.344 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000539041500 314291177 /nfs/dbraw/zinc/29/11/77/314291177.db2.gz LHLBLNDGZWIESO-YXYSEUPNSA-N 3 0 329.532 3.359 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@H](C)C1 ZINC000539062395 314293889 /nfs/dbraw/zinc/29/38/89/314293889.db2.gz WXDBUSXRRJGSQK-DSTKQXLTSA-N 2 0 342.527 3.299 20 0 EGADRP COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000539294365 314304809 /nfs/dbraw/zinc/30/48/09/314304809.db2.gz CCQRMGWWBAUBDL-FOIQADDNSA-N 2 0 332.488 3.235 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000540139882 314364634 /nfs/dbraw/zinc/36/46/34/314364634.db2.gz GZXFGPRZMZOXNC-AOIWGVFYSA-N 2 0 326.488 3.371 20 0 EGADRP C[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540188057 314369038 /nfs/dbraw/zinc/36/90/38/314369038.db2.gz GJRFEZREWZSSNE-MRXNPFEDSA-N 2 0 346.446 3.496 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000549796749 315104706 /nfs/dbraw/zinc/10/47/06/315104706.db2.gz HPHWVHDSWVAKJT-TZIWHRDSSA-N 2 0 348.506 3.173 20 0 EGADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000552163168 315203379 /nfs/dbraw/zinc/20/33/79/315203379.db2.gz ZFJHGIXIYRBCID-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP O=C(C[NH2+]Cc1ccc(C2CCC2)cc1)NCC[NH+]1CCCCCC1 ZINC000552278747 315210985 /nfs/dbraw/zinc/21/09/85/315210985.db2.gz LCCBBNJDWZWCKV-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCC[NH+](C)C ZINC000552361566 315215908 /nfs/dbraw/zinc/21/59/08/315215908.db2.gz DMJOUNFNEAVFJQ-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP CC[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000554349138 315312265 /nfs/dbraw/zinc/31/22/65/315312265.db2.gz JYRJQYWSHRRGAQ-LEWJYISDSA-N 2 0 329.532 3.363 20 0 EGADRP O[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000554390630 315314991 /nfs/dbraw/zinc/31/49/91/315314991.db2.gz MHIPBWDXQYJJNM-FDKIHUSFSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000560115391 315661873 /nfs/dbraw/zinc/66/18/73/315661873.db2.gz VXBYNNWNRINJMJ-OPVJXMOQSA-N 2 0 346.515 3.249 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000562397939 315828609 /nfs/dbraw/zinc/82/86/09/315828609.db2.gz AZCKJBCECBXLJD-SFHVURJKSA-N 2 0 331.504 3.060 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000562838954 315910150 /nfs/dbraw/zinc/91/01/50/315910150.db2.gz TUPCWZMZNXXFPM-UYAOXDASSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1nc([C@H](C)N2CCCO[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670215 316053232 /nfs/dbraw/zinc/05/32/32/316053232.db2.gz MYSYZZVWPBWRIH-XJKSGUPXSA-N 2 0 349.862 3.414 20 0 EGADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563975902 316099416 /nfs/dbraw/zinc/09/94/16/316099416.db2.gz JZVSYHJCZDDGOO-BASYENTBSA-N 2 0 339.886 3.331 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000564096008 316112800 /nfs/dbraw/zinc/11/28/00/316112800.db2.gz DAQMFACJGHJLBC-BFHYXJOUSA-N 2 0 332.410 3.100 20 0 EGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000564713006 316192727 /nfs/dbraw/zinc/19/27/27/316192727.db2.gz DCIHZZGWQGFHAD-CYBMUJFWSA-N 2 0 345.468 3.018 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000564791788 316205675 /nfs/dbraw/zinc/20/56/75/316205675.db2.gz GZVLSTAJIHLWOU-ZDUSSCGKSA-N 2 0 332.879 3.484 20 0 EGADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000566088758 316413917 /nfs/dbraw/zinc/41/39/17/316413917.db2.gz JZJOCTIFUQATRG-AWEZNQCLSA-N 2 0 327.241 3.165 20 0 EGADRP COCc1cccc(OCC2(C[NH+]3CCC(CC[NH3+])CC3)CCC2)c1 ZINC000566801646 316528960 /nfs/dbraw/zinc/52/89/60/316528960.db2.gz ANRWDHUTLOJREB-UHFFFAOYSA-N 2 0 346.515 3.443 20 0 EGADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000567639129 316647688 /nfs/dbraw/zinc/64/76/88/316647688.db2.gz XXCCEOGTUHYPPM-GFCCVEGCSA-N 2 0 331.382 3.012 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000570360045 317044889 /nfs/dbraw/zinc/04/48/89/317044889.db2.gz KGMXNGPUNAIMBJ-CHWSQXEVSA-N 2 0 343.284 3.451 20 0 EGADRP CCOc1c(Br)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000570450711 317057850 /nfs/dbraw/zinc/05/78/50/317057850.db2.gz RKRVIQTZVLQVRQ-GHMZBOCLSA-N 2 0 345.281 3.072 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570941788 317131111 /nfs/dbraw/zinc/13/11/11/317131111.db2.gz LALCZKGQWWYHAL-HZPDHXFCSA-N 2 0 326.488 3.357 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000571073288 317147205 /nfs/dbraw/zinc/14/72/05/317147205.db2.gz PASBOMSORWIEGA-YJYMSZOUSA-N 2 0 346.906 3.456 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000571147821 317156805 /nfs/dbraw/zinc/15/68/05/317156805.db2.gz ZFZVFYJZSYYHOW-SFHVURJKSA-N 2 0 330.476 3.064 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000571329072 317183939 /nfs/dbraw/zinc/18/39/39/317183939.db2.gz ZKKHIXWFKYJDQI-SFHVURJKSA-N 2 0 345.531 3.284 20 0 EGADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000571711184 317235842 /nfs/dbraw/zinc/23/58/42/317235842.db2.gz ZPZDYSAUQAPTEW-WIYYLYMNSA-N 2 0 346.515 3.454 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178035396 323349548 /nfs/dbraw/zinc/34/95/48/323349548.db2.gz NGPBWGLDMHPCGD-GBESFXJTSA-N 2 0 348.531 3.495 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000350609765 324106352 /nfs/dbraw/zinc/10/63/52/324106352.db2.gz WUMSZBZXFSQKKJ-GJZGRUSLSA-N 2 0 344.459 3.050 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCCC[C@@H]45)[C@H]3C2)cc1 ZINC000385803310 324263624 /nfs/dbraw/zinc/26/36/24/324263624.db2.gz KKXWGCYTCJSPEN-KGWSWXIGSA-N 2 0 339.527 3.113 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386401414 324267923 /nfs/dbraw/zinc/26/79/23/324267923.db2.gz HBPIKUBYRFZDHE-CVEARBPZSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000575052902 324405890 /nfs/dbraw/zinc/40/58/90/324405890.db2.gz ROSXRRXFFFLPFI-OAQYLSRUSA-N 2 0 344.474 3.361 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]CCC(=O)Nc2cccnc2)c1 ZINC000576339537 324595622 /nfs/dbraw/zinc/59/56/22/324595622.db2.gz SFXOJLSBSYCSMT-UHFFFAOYSA-N 2 0 340.471 3.042 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)c2)CC1 ZINC000576706693 324667581 /nfs/dbraw/zinc/66/75/81/324667581.db2.gz VCYFQUCJKZUERF-FQEVSTJZSA-N 2 0 343.515 3.067 20 0 EGADRP CCC(CC)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579407930 325104211 /nfs/dbraw/zinc/10/42/11/325104211.db2.gz RBUMKANDPOSYDG-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C1 ZINC000579495124 325119067 /nfs/dbraw/zinc/11/90/67/325119067.db2.gz NUNBBJMXHWKOMK-CHWSQXEVSA-N 2 0 336.277 3.332 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)n1 ZINC000579700022 325146654 /nfs/dbraw/zinc/14/66/54/325146654.db2.gz IDKUOJGQNROZQV-IAGOWNOFSA-N 2 0 328.460 3.091 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000579822834 325163512 /nfs/dbraw/zinc/16/35/12/325163512.db2.gz ZTRJTJYVDKMEIN-NUEKZKHPSA-N 2 0 337.533 3.075 20 0 EGADRP CC(C)C[C@@H](CNC(=O)CC1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000579828773 325164309 /nfs/dbraw/zinc/16/43/09/325164309.db2.gz PSMLGXXBMHDYBT-PXNSSMCTSA-N 2 0 345.531 3.258 20 0 EGADRP CC(CC[NH+]1CC[C@@H](OC(C)C)C1)CC[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000580069216 325198396 /nfs/dbraw/zinc/19/83/96/325198396.db2.gz QOGSKFKGWRSKLM-WOJBJXKFSA-N 2 0 340.552 3.401 20 0 EGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000580314692 325233550 /nfs/dbraw/zinc/23/35/50/325233550.db2.gz DNZPPVXXOJZBHD-FQEVSTJZSA-N 2 0 343.515 3.211 20 0 EGADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1Br ZINC000581051470 325324176 /nfs/dbraw/zinc/32/41/76/325324176.db2.gz DYENMJUVBWZGCN-OAHLLOKOSA-N 2 0 329.282 3.068 20 0 EGADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000581318742 325351714 /nfs/dbraw/zinc/35/17/14/325351714.db2.gz GRXQTUTVCTWTQG-OAHLLOKOSA-N 2 0 345.409 3.034 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000582966888 325484398 /nfs/dbraw/zinc/48/43/98/325484398.db2.gz UKCGDEAFKFSFBG-YLJYHZDGSA-N 2 0 345.531 3.258 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000583629364 325538974 /nfs/dbraw/zinc/53/89/74/325538974.db2.gz DKGBMQNJNZBFHZ-WMZOPIPTSA-N 2 0 333.520 3.339 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000183262710 455264237 /nfs/dbraw/zinc/26/42/37/455264237.db2.gz YRXINGJHKRTBLY-GOSISDBHSA-N 2 0 344.528 3.435 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173319078 455264576 /nfs/dbraw/zinc/26/45/76/455264576.db2.gz NLDILAZSJWPDLW-HNNXBMFYSA-N 2 0 343.437 3.384 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173319573 455265078 /nfs/dbraw/zinc/26/50/78/455265078.db2.gz SNKLEQYVKPHRMF-OAHLLOKOSA-N 2 0 325.447 3.033 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC3(CCSCC3)CC2)cc1 ZINC000631837704 460577704 /nfs/dbraw/zinc/57/77/04/460577704.db2.gz WJXNHLATVWXQKM-QGZVFWFLSA-N 2 0 334.529 3.347 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000081333098 453862118 /nfs/dbraw/zinc/86/21/18/453862118.db2.gz CFKFDXPOYLADCM-LJQANCHMSA-N 2 0 343.515 3.086 20 0 EGADRP CC1CC[NH+](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000054779481 453946496 /nfs/dbraw/zinc/94/64/96/453946496.db2.gz PPOZEGMRNUQWKN-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524637 454064841 /nfs/dbraw/zinc/06/48/41/454064841.db2.gz WUWBNLQKGMSMCK-GOSISDBHSA-N 2 0 345.531 3.087 20 0 EGADRP CCCCc1oc2ccccc2c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000265901295 455401945 /nfs/dbraw/zinc/40/19/45/455401945.db2.gz UWYUHIDHCDOGKC-UHFFFAOYSA-N 2 0 330.472 3.322 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000265909379 455403432 /nfs/dbraw/zinc/40/34/32/455403432.db2.gz XILXHSLGIXLPLL-UHFFFAOYSA-N 2 0 334.460 3.101 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000057833890 454150417 /nfs/dbraw/zinc/15/04/17/454150417.db2.gz DVAHLQHAEYSNOQ-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000190999649 455422773 /nfs/dbraw/zinc/42/27/73/455422773.db2.gz VVFXCIMVQLPJTM-UHFFFAOYSA-N 2 0 332.492 3.088 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)ccn1 ZINC000130301921 454188259 /nfs/dbraw/zinc/18/82/59/454188259.db2.gz AULLZQYDSMRSNW-HUUCEWRRSA-N 2 0 345.409 3.233 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000130536157 454204081 /nfs/dbraw/zinc/20/40/81/454204081.db2.gz GVMSCQFDKYFMLJ-IBGZPJMESA-N 2 0 330.520 3.282 20 0 EGADRP CC(C)N(CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000131560839 454264828 /nfs/dbraw/zinc/26/48/28/454264828.db2.gz FCEAQYMLVNDTEC-HZPDHXFCSA-N 2 0 327.513 3.094 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000090038688 454265884 /nfs/dbraw/zinc/26/58/84/454265884.db2.gz OZWXQFXWXFJJGW-WOJBJXKFSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234853 454297096 /nfs/dbraw/zinc/29/70/96/454297096.db2.gz ITQQGKVKPYCQIC-VNHYZAJKSA-N 2 0 330.394 3.446 20 0 EGADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C(C)C ZINC000120684465 454334302 /nfs/dbraw/zinc/33/43/02/454334302.db2.gz OPRMDBXAZYWAFC-HXUWFJFHSA-N 2 0 334.504 3.168 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)CN1CC[NH+](C)CC1 ZINC000120886038 454360308 /nfs/dbraw/zinc/36/03/08/454360308.db2.gz IXNHEZAIJRMHJO-OFQRWUPVSA-N 2 0 339.574 3.147 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000062253072 454371145 /nfs/dbraw/zinc/37/11/45/454371145.db2.gz GTIFCXPLEMSPQN-GJZGRUSLSA-N 2 0 342.430 3.267 20 0 EGADRP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)C1CC[NH+](C)CC1 ZINC000097038047 454394051 /nfs/dbraw/zinc/39/40/51/454394051.db2.gz URNVGDDZHSWOFG-INIZCTEOSA-N 2 0 333.545 3.378 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000121285790 454416446 /nfs/dbraw/zinc/41/64/46/454416446.db2.gz DIJBRPYNQOVSRB-GUDVDZBRSA-N 2 0 347.547 3.050 20 0 EGADRP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1Br ZINC000133355724 454417064 /nfs/dbraw/zinc/41/70/64/454417064.db2.gz UGPFGCMRMFTRAL-AWEZNQCLSA-N 2 0 329.282 3.263 20 0 EGADRP COc1ccc([C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091283332 454421449 /nfs/dbraw/zinc/42/14/49/454421449.db2.gz PMVBBMCDIFGIND-NHCUHLMSSA-N 2 0 347.547 3.254 20 0 EGADRP COc1ccccc1[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000091333348 454427907 /nfs/dbraw/zinc/42/79/07/454427907.db2.gz FNOKERHDSYZXCJ-UWJYYQICSA-N 2 0 345.531 3.152 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000047978474 454428438 /nfs/dbraw/zinc/42/84/38/454428438.db2.gz HHCRKYMTDBYGPG-HXUWFJFHSA-N 2 0 348.531 3.097 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc(OC)c1OC ZINC000121451070 454436482 /nfs/dbraw/zinc/43/64/82/454436482.db2.gz KUPDLRBGTHCATK-KBPBESRZSA-N 2 0 347.459 3.204 20 0 EGADRP C[NH+](C)C1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCCC1 ZINC000073525265 454446772 /nfs/dbraw/zinc/44/67/72/454446772.db2.gz TYNLZFFULHIWCI-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073700819 454469058 /nfs/dbraw/zinc/46/90/58/454469058.db2.gz WXDRUWVTVVCXLD-RBUKOAKNSA-N 2 0 336.439 3.182 20 0 EGADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NC1CCCC1 ZINC000121744903 454472086 /nfs/dbraw/zinc/47/20/86/454472086.db2.gz IQWPFDUDBSIVMV-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121825544 454482287 /nfs/dbraw/zinc/48/22/87/454482287.db2.gz MOIQYRIJKDXBDC-UHFFFAOYSA-N 2 0 334.460 3.154 20 0 EGADRP CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000079843677 454488749 /nfs/dbraw/zinc/48/87/49/454488749.db2.gz QZCHFMKZNCRCBR-SFHVURJKSA-N 2 0 343.515 3.021 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000134168968 454511395 /nfs/dbraw/zinc/51/13/95/454511395.db2.gz ICKDJHSBSFMWLA-UHFFFAOYSA-N 2 0 341.503 3.416 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000122275563 454517797 /nfs/dbraw/zinc/51/77/97/454517797.db2.gz XFPGIIAGZLZIPC-FXAWDEMLSA-N 2 0 345.531 3.249 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000122274916 454518503 /nfs/dbraw/zinc/51/85/03/454518503.db2.gz XFPGIIAGZLZIPC-XLIONFOSSA-N 2 0 345.531 3.249 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000074177323 454540741 /nfs/dbraw/zinc/54/07/41/454540741.db2.gz UZBZWTZCSJOHDU-IBGZPJMESA-N 2 0 338.455 3.382 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000092381003 454559061 /nfs/dbraw/zinc/55/90/61/454559061.db2.gz CCAOXLCGGLCJDI-UHFFFAOYSA-N 2 0 326.431 3.494 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000080568622 454600050 /nfs/dbraw/zinc/60/00/50/454600050.db2.gz XSRLAZTYKBLKRR-PMACEKPBSA-N 2 0 343.515 3.017 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000123390667 454632363 /nfs/dbraw/zinc/63/23/63/454632363.db2.gz YNOOIIHEQXCCDN-UHFFFAOYSA-N 2 0 326.488 3.426 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@H](C)C1 ZINC000123517844 454645979 /nfs/dbraw/zinc/64/59/79/454645979.db2.gz CBIIHKVJSIIOFP-BEFAXECRSA-N 2 0 326.488 3.309 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635003704 460646616 /nfs/dbraw/zinc/64/66/16/460646616.db2.gz AZKPLHSRFUUNIB-ZOBUZTSGSA-N 2 0 332.492 3.385 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000093405495 454712465 /nfs/dbraw/zinc/71/24/65/454712465.db2.gz VXXNFYMPPQPKMS-FUHWJXTLSA-N 2 0 349.544 3.156 20 0 EGADRP CC(=O)NC1CCC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000161683560 454714714 /nfs/dbraw/zinc/71/47/14/454714714.db2.gz DFGJOYWWXWDVQE-UHFFFAOYSA-N 2 0 335.536 3.066 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000161795325 454723988 /nfs/dbraw/zinc/72/39/88/454723988.db2.gz IOUDAQNYSZVOPJ-PZJWPPBQSA-N 2 0 344.547 3.004 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1Cl ZINC000124376745 454726030 /nfs/dbraw/zinc/72/60/30/454726030.db2.gz MTBSADPBYBEBRO-AWEZNQCLSA-N 2 0 341.902 3.403 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cnn(Cc2ccccc2)c1 ZINC000635010639 460654036 /nfs/dbraw/zinc/65/40/36/460654036.db2.gz KTYHVQPXBMQTAB-QFBILLFUSA-N 2 0 326.488 3.360 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000635011580 460654548 /nfs/dbraw/zinc/65/45/48/460654548.db2.gz QYJLOGVNFWHAJC-PGRDOPGGSA-N 2 0 349.522 3.475 20 0 EGADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000162769147 454799605 /nfs/dbraw/zinc/79/96/05/454799605.db2.gz PABPFJVDEMKVHR-GOSISDBHSA-N 2 0 349.482 3.440 20 0 EGADRP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000162811935 454802014 /nfs/dbraw/zinc/80/20/14/454802014.db2.gz JMTRVANPRUSKAE-OTWHNJEPSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CC1 ZINC000177288183 454847415 /nfs/dbraw/zinc/84/74/15/454847415.db2.gz ZSJDMVUSFVIPMG-INIZCTEOSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000177301905 454849489 /nfs/dbraw/zinc/84/94/89/454849489.db2.gz KVXWKNCXCFXYLH-DYESRHJHSA-N 2 0 341.474 3.141 20 0 EGADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163524986 454853025 /nfs/dbraw/zinc/85/30/25/454853025.db2.gz GHPXBMWLZNOJCM-SJLPKXTDSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1C ZINC000163583668 454856825 /nfs/dbraw/zinc/85/68/25/454856825.db2.gz NHUAZXLZJRGYOA-KXBFYZLASA-N 2 0 335.923 3.377 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019389 454872788 /nfs/dbraw/zinc/87/27/88/454872788.db2.gz XGCOPWXVXSUVBV-LVCYWYKZSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000164309543 454879571 /nfs/dbraw/zinc/87/95/71/454879571.db2.gz SJBQLHXXYQCWSN-QFBILLFUSA-N 2 0 340.467 3.281 20 0 EGADRP CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000112380499 454885860 /nfs/dbraw/zinc/88/58/60/454885860.db2.gz NXJWYCYZJDAKII-YLJYHZDGSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768111 454888912 /nfs/dbraw/zinc/88/89/12/454888912.db2.gz LSWGIOHGDJWQQV-LSDHHAIUSA-N 2 0 335.879 3.085 20 0 EGADRP Cc1cccc(COc2ccc([C@H](C)NC[C@@H](O)C[NH+](C)C)cc2)c1 ZINC000154390383 454891330 /nfs/dbraw/zinc/89/13/30/454891330.db2.gz BCSCHMYVIMAMLM-FXAWDEMLSA-N 2 0 342.483 3.147 20 0 EGADRP Cc1ccnc(N2CCN(Cc3ccc(OC(F)F)cc3)CC2)c1 ZINC000166367830 454910682 /nfs/dbraw/zinc/91/06/82/454910682.db2.gz IUASVFABFUAPRT-UHFFFAOYSA-N 2 0 333.382 3.314 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000635012595 460656306 /nfs/dbraw/zinc/65/63/06/460656306.db2.gz WYMLKDUTNBCPAI-VGOFRKELSA-N 2 0 341.543 3.465 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178077655 454933092 /nfs/dbraw/zinc/93/30/92/454933092.db2.gz KPUREXYSPFVRFC-QUCCMNQESA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CC[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000151114337 454939871 /nfs/dbraw/zinc/93/98/71/454939871.db2.gz KYMRWPKVBHWPDJ-IBGZPJMESA-N 2 0 347.522 3.154 20 0 EGADRP O=C1Nc2ccccc2C12CCC([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC000178411199 454953654 /nfs/dbraw/zinc/95/36/54/454953654.db2.gz LWIPYHOWSGZQNH-UHFFFAOYSA-N 2 0 341.499 3.285 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114455822 454955174 /nfs/dbraw/zinc/95/51/74/454955174.db2.gz ARXHWZJEGWEOLY-SFHVURJKSA-N 2 0 345.531 3.285 20 0 EGADRP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178981963 454995830 /nfs/dbraw/zinc/99/58/30/454995830.db2.gz GCTRHKXAWMRABB-IBGZPJMESA-N 2 0 337.458 3.033 20 0 EGADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)ccc2c1 ZINC000127795436 454997883 /nfs/dbraw/zinc/99/78/83/454997883.db2.gz GTSIWQNYRIBKCC-DLBZAZTESA-N 2 0 341.499 3.135 20 0 EGADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000128018532 455018678 /nfs/dbraw/zinc/01/86/78/455018678.db2.gz WSCGZMRVLHMQJT-VKJFTORMSA-N 2 0 332.492 3.035 20 0 EGADRP Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000623648445 460658731 /nfs/dbraw/zinc/65/87/31/460658731.db2.gz KSDJTEYCBWGXTN-UHFFFAOYSA-N 2 0 341.499 3.398 20 0 EGADRP C[C@@H](CC[NH2+]C1CCN(CC(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000156211135 455093353 /nfs/dbraw/zinc/09/33/53/455093353.db2.gz UBTXMUGPHCMIGJ-INIZCTEOSA-N 2 0 339.474 3.216 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000152411810 455115476 /nfs/dbraw/zinc/11/54/76/455115476.db2.gz SCEYMCGAWXCYLM-NLWGTHIKSA-N 2 0 330.516 3.362 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@H]5OCC[C@@H]54)[C@@H]3C2)cc1 ZINC000180170807 455144238 /nfs/dbraw/zinc/14/42/38/455144238.db2.gz ICQYBUFWEZXHNB-LJUYRKFLSA-N 2 0 340.511 3.444 20 0 EGADRP C[C@H]1CCCN(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000156706823 455145500 /nfs/dbraw/zinc/14/55/00/455145500.db2.gz BJPJAVHKNVUEHJ-BQJIDLTASA-N 2 0 341.499 3.141 20 0 EGADRP CCCn1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000180181439 455145581 /nfs/dbraw/zinc/14/55/81/455145581.db2.gz OAYMMZYKZYEAIL-HDICACEKSA-N 2 0 348.535 3.004 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000180403708 455164161 /nfs/dbraw/zinc/16/41/61/455164161.db2.gz YLSIKVOZUIFOQH-UHFFFAOYSA-N 2 0 341.499 3.282 20 0 EGADRP O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)NCCC1CCCCC1 ZINC000157103402 455164998 /nfs/dbraw/zinc/16/49/98/455164998.db2.gz ZCYCLWDCRJBVFM-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182819664 455171461 /nfs/dbraw/zinc/17/14/61/455171461.db2.gz YMBIELGZOCBPMS-QFBILLFUSA-N 2 0 343.515 3.131 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000180455266 455172364 /nfs/dbraw/zinc/17/23/64/455172364.db2.gz SVMAAINNQILARI-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000180464756 455174405 /nfs/dbraw/zinc/17/44/05/455174405.db2.gz LALTZILJWJNZIV-PKOBYXMFSA-N 2 0 335.561 3.029 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCOc2ncc(Cl)cc2Cl)CC1 ZINC000180460153 455174817 /nfs/dbraw/zinc/17/48/17/455174817.db2.gz MOCZRZNFWPRADV-UHFFFAOYSA-N 2 0 332.275 3.230 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000180485166 455180010 /nfs/dbraw/zinc/18/00/10/455180010.db2.gz VVEPSBLJUBKMCH-QFIPXVFZSA-N 2 0 338.495 3.378 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCCCC[NH3+])CC1 ZINC000237390246 455180466 /nfs/dbraw/zinc/18/04/66/455180466.db2.gz WQOCPMIEHWGSFW-QGZVFWFLSA-N 2 0 331.504 3.237 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@]2(C)CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000237402630 455181767 /nfs/dbraw/zinc/18/17/67/455181767.db2.gz KSVRWKYHZMBWKD-YLJYHZDGSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000237498361 455190260 /nfs/dbraw/zinc/19/02/60/455190260.db2.gz GSGVIOXMDKMFKX-IBGZPJMESA-N 2 0 345.531 3.125 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000158565584 455313043 /nfs/dbraw/zinc/31/30/43/455313043.db2.gz PAUSBFIQXXUBGF-IYBDPMFKSA-N 2 0 349.485 3.361 20 0 EGADRP CCOc1ccc(NC(=O)[C@H](C)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173634342 455319680 /nfs/dbraw/zinc/31/96/80/455319680.db2.gz DQVWDSAESJXTFB-WMZOPIPTSA-N 2 0 347.503 3.219 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000159152241 455356072 /nfs/dbraw/zinc/35/60/72/455356072.db2.gz ZMXNAUVZWJZFEP-VDGAXYAQSA-N 2 0 334.504 3.219 20 0 EGADRP COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Cl)c1OC ZINC000245723019 455364260 /nfs/dbraw/zinc/36/42/60/455364260.db2.gz DODLRDRPPFRSNP-GOEBONIOSA-N 2 0 338.879 3.273 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C[C@@H]1OC ZINC000181948017 455402983 /nfs/dbraw/zinc/40/29/83/455402983.db2.gz CAZFZDLQJAGQRU-MSOLQXFVSA-N 2 0 338.536 3.205 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000190956256 455414347 /nfs/dbraw/zinc/41/43/47/455414347.db2.gz ONECEPSTTMJTLN-KRWDZBQOSA-N 2 0 344.421 3.340 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000182202024 455459602 /nfs/dbraw/zinc/45/96/02/455459602.db2.gz VOAVQSDOYHIZPF-QZTJIDSGSA-N 2 0 344.499 3.081 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182266394 455476317 /nfs/dbraw/zinc/47/63/17/455476317.db2.gz VGZKJVPYRFQEAH-BUVFEPMLSA-N 2 0 336.479 3.276 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000267156624 455508711 /nfs/dbraw/zinc/50/87/11/455508711.db2.gz OPCYLDIHORGMHR-HXUWFJFHSA-N 2 0 343.515 3.203 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000246919867 455535487 /nfs/dbraw/zinc/53/54/87/455535487.db2.gz GQYRDFQHJSXZRJ-LRDDRELGSA-N 2 0 343.284 3.451 20 0 EGADRP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247030523 455547119 /nfs/dbraw/zinc/54/71/19/455547119.db2.gz YJIOKEYBOPQVQH-OALUTQOASA-N 2 0 330.472 3.168 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000247048212 455550927 /nfs/dbraw/zinc/55/09/27/455550927.db2.gz OQJYKTFEIDYEPH-HLIPFELVSA-N 2 0 332.536 3.460 20 0 EGADRP CCSc1cccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000185462107 455560761 /nfs/dbraw/zinc/56/07/61/455560761.db2.gz PNDGRCFCXLDWFP-LJQANCHMSA-N 2 0 335.561 3.160 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000247150867 455566263 /nfs/dbraw/zinc/56/62/63/455566263.db2.gz SXWNCXWAHWGZSW-XLIONFOSSA-N 2 0 327.472 3.309 20 0 EGADRP CC(C)CN(C(=O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185671695 455593143 /nfs/dbraw/zinc/59/31/43/455593143.db2.gz FNZYPDPJQREHHI-ROUUACIJSA-N 2 0 337.552 3.122 20 0 EGADRP COc1cccc(OCC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185672708 455593522 /nfs/dbraw/zinc/59/35/22/455593522.db2.gz GBHUPBKMGYZXQP-IAGOWNOFSA-N 2 0 332.488 3.317 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000247505929 455614049 /nfs/dbraw/zinc/61/40/49/455614049.db2.gz MSNQNVIHSPGMNJ-GTAWCEEGSA-N 2 0 346.540 3.466 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000185896733 455647165 /nfs/dbraw/zinc/64/71/65/455647165.db2.gz CQPAYFNPMYURLL-UHFFFAOYSA-N 2 0 331.529 3.407 20 0 EGADRP CN(c1ccccc1C[NH2+]CC(C)(C)CCCO)C1CC[NH+](C)CC1 ZINC000271495238 455659275 /nfs/dbraw/zinc/65/92/75/455659275.db2.gz JVBKWKDXIFWJSB-UHFFFAOYSA-N 2 0 347.547 3.105 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192658730 455663268 /nfs/dbraw/zinc/66/32/68/455663268.db2.gz PNTYTADILDPETD-GDBMZVCRSA-N 2 0 346.471 3.216 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000247970961 455663373 /nfs/dbraw/zinc/66/33/73/455663373.db2.gz JIBMHFKJXOKODE-QFBILLFUSA-N 2 0 329.532 3.406 20 0 EGADRP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000192697180 455670664 /nfs/dbraw/zinc/67/06/64/455670664.db2.gz MTEBYQVTCAVVEU-INIZCTEOSA-N 2 0 332.492 3.140 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCC ZINC000248030088 455672242 /nfs/dbraw/zinc/67/22/42/455672242.db2.gz QCILPDQFWAWPJC-FUHWJXTLSA-N 2 0 334.504 3.346 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCCCC1 ZINC000248033602 455673485 /nfs/dbraw/zinc/67/34/85/455673485.db2.gz RAFLFTDTDULYNF-UYAOXDASSA-N 2 0 344.547 3.146 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000248126773 455684538 /nfs/dbraw/zinc/68/45/38/455684538.db2.gz NZUBRMZNLZFECT-RHSMWYFYSA-N 2 0 335.879 3.085 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000268448202 455685423 /nfs/dbraw/zinc/68/54/23/455685423.db2.gz VBYBNHLNAMGIBQ-UHFFFAOYSA-N 2 0 346.446 3.411 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248186260 455696603 /nfs/dbraw/zinc/69/66/03/455696603.db2.gz XKXWQTVLLSJZRN-HOCLYGCPSA-N 2 0 340.895 3.236 20 0 EGADRP CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268881879 455717195 /nfs/dbraw/zinc/71/71/95/455717195.db2.gz BEYNGPXLVMJTKI-MSOLQXFVSA-N 2 0 336.520 3.322 20 0 EGADRP Cc1ccc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)ccc2n1 ZINC000278027581 455737462 /nfs/dbraw/zinc/73/74/62/455737462.db2.gz WUVSIDQWOMECNL-KRWDZBQOSA-N 2 0 327.472 3.134 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249881348 455781187 /nfs/dbraw/zinc/78/11/87/455781187.db2.gz HQDJUGKPKBDFJR-AHJNKEMKSA-N 2 0 342.527 3.428 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000269066848 455781419 /nfs/dbraw/zinc/78/14/19/455781419.db2.gz ZDAHEFYFNVTSFK-GOSISDBHSA-N 2 0 345.531 3.438 20 0 EGADRP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C(C)(C)O1 ZINC000269091451 455787460 /nfs/dbraw/zinc/78/74/60/455787460.db2.gz QSZJYOLPTKUTFJ-LJQANCHMSA-N 2 0 346.515 3.079 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000186580126 455798278 /nfs/dbraw/zinc/79/82/78/455798278.db2.gz PWVPAUNFEMQBOY-UHFFFAOYSA-N 2 0 334.261 3.196 20 0 EGADRP CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000271880900 455798346 /nfs/dbraw/zinc/79/83/46/455798346.db2.gz PHOQXZDDATXFPX-QFBILLFUSA-N 2 0 334.504 3.075 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000186590916 455801231 /nfs/dbraw/zinc/80/12/31/455801231.db2.gz UBLHEWHADMOUIL-UHFFFAOYSA-N 2 0 340.309 3.446 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194275314 455822355 /nfs/dbraw/zinc/82/23/55/455822355.db2.gz HMMZJOBLWULNJH-UHFFFAOYSA-N 2 0 343.515 3.017 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000252696223 455829224 /nfs/dbraw/zinc/82/92/24/455829224.db2.gz XOLVEYXOTWUOQE-LNLFQRSKSA-N 2 0 329.488 3.047 20 0 EGADRP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000253351564 455833134 /nfs/dbraw/zinc/83/31/34/455833134.db2.gz KWRLNTFAACJLER-WMZOPIPTSA-N 2 0 330.520 3.280 20 0 EGADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000285587172 455876285 /nfs/dbraw/zinc/87/62/85/455876285.db2.gz HQDAFBJKMNHHBP-PBWTXFEYSA-N 2 0 336.426 3.481 20 0 EGADRP CCOC1CC(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000285644139 455888103 /nfs/dbraw/zinc/88/81/03/455888103.db2.gz RZAXPVNTPXUPAQ-CBNMVNINSA-N 2 0 328.500 3.400 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000194849284 455890706 /nfs/dbraw/zinc/89/07/06/455890706.db2.gz OBGZKWDGJLNGNE-FQEVSTJZSA-N 2 0 345.531 3.080 20 0 EGADRP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000272251450 455892414 /nfs/dbraw/zinc/89/24/14/455892414.db2.gz CCDHTKWMZBOXRB-WMZOPIPTSA-N 2 0 338.455 3.422 20 0 EGADRP C[C@@]1(C[NH3+])CCN(CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000261602405 455911481 /nfs/dbraw/zinc/91/14/81/455911481.db2.gz AAQSFJZGEXMQJN-FQEVSTJZSA-N 2 0 335.536 3.151 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652749 455922329 /nfs/dbraw/zinc/92/23/29/455922329.db2.gz GLZCTVGDWLUIHM-LZQZEXGQSA-N 2 0 348.450 3.472 20 0 EGADRP Cn1cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2cccs2)n1 ZINC000261665246 455923541 /nfs/dbraw/zinc/92/35/41/455923541.db2.gz IOYAZKMVVBFFAO-DLBZAZTESA-N 2 0 338.480 3.075 20 0 EGADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OC(F)F ZINC000261698019 455930258 /nfs/dbraw/zinc/93/02/58/455930258.db2.gz OKGIUDGQVWDZCE-OAHLLOKOSA-N 2 0 340.414 3.261 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)c1 ZINC000261721017 455934276 /nfs/dbraw/zinc/93/42/76/455934276.db2.gz JOZYDIRPBMOQJW-PXNSSMCTSA-N 2 0 338.455 3.190 20 0 EGADRP c1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000261728989 455935461 /nfs/dbraw/zinc/93/54/61/455935461.db2.gz RNQZSCPWDAYBMS-BURNTYAHSA-N 2 0 327.516 3.334 20 0 EGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261762745 455943864 /nfs/dbraw/zinc/94/38/64/455943864.db2.gz DDVKTAYMZUUHRG-INIZCTEOSA-N 2 0 349.544 3.064 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@H]1c1ccccc1 ZINC000261796950 455950255 /nfs/dbraw/zinc/95/02/55/455950255.db2.gz QNMQELWBBSWKOI-AEFFLSMTSA-N 2 0 332.394 3.462 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280343520 455950793 /nfs/dbraw/zinc/95/07/93/455950793.db2.gz QWIIKNWMGRGKQY-FUHWJXTLSA-N 2 0 332.488 3.076 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187770546 455951515 /nfs/dbraw/zinc/95/15/15/455951515.db2.gz QHUITLFAAJMIOL-HMXCVIKNSA-N 2 0 329.532 3.112 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000272476419 455963834 /nfs/dbraw/zinc/96/38/34/455963834.db2.gz AKEQNYXWOIWWOJ-CBPXPLCBSA-N 2 0 336.479 3.220 20 0 EGADRP OC[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000272476427 455963896 /nfs/dbraw/zinc/96/38/96/455963896.db2.gz AKEQNYXWOIWWOJ-DXBBTUNJSA-N 2 0 336.479 3.220 20 0 EGADRP Clc1ccc(O[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000261914726 455970356 /nfs/dbraw/zinc/97/03/56/455970356.db2.gz JTNBOHYETIZIHL-GXTWGEPZSA-N 2 0 329.271 3.446 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1c1ccccc1 ZINC000262039457 455989017 /nfs/dbraw/zinc/98/90/17/455989017.db2.gz YEZOQXKRRLJWOS-AEFFLSMTSA-N 2 0 338.480 3.313 20 0 EGADRP CC(C)(CCCO)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272571092 455997848 /nfs/dbraw/zinc/99/78/48/455997848.db2.gz PBMYXTFLHJGBIP-XUVXKRRUSA-N 2 0 330.516 3.285 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000262147989 456004524 /nfs/dbraw/zinc/00/45/24/456004524.db2.gz QSCVHLOKWGODSO-LZJOCLMNSA-N 2 0 345.531 3.298 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000272589301 456005390 /nfs/dbraw/zinc/00/53/90/456005390.db2.gz XAGVXBFGHXERQA-QFBILLFUSA-N 2 0 325.456 3.090 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000286250920 456008510 /nfs/dbraw/zinc/00/85/10/456008510.db2.gz UJJVAOMOOVNFGV-UHFFFAOYSA-N 2 0 328.456 3.305 20 0 EGADRP Cc1nccn1CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272606641 456011447 /nfs/dbraw/zinc/01/14/47/456011447.db2.gz VJTPKHFJODDXBL-PCCBWWKXSA-N 2 0 338.499 3.082 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000262614819 456046511 /nfs/dbraw/zinc/04/65/11/456046511.db2.gz CMJBEDDAZUCVME-FXAWDEMLSA-N 2 0 339.483 3.022 20 0 EGADRP C[C@@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262665094 456052658 /nfs/dbraw/zinc/05/26/58/456052658.db2.gz PFEPKJGABAJVCZ-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000262987458 456074916 /nfs/dbraw/zinc/07/49/16/456074916.db2.gz NIFMPGSMZSGCDZ-AZUAARDMSA-N 2 0 331.504 3.051 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000272809650 456075485 /nfs/dbraw/zinc/07/54/85/456075485.db2.gz CFFPPEXAUGLZGE-LJQANCHMSA-N 2 0 329.488 3.212 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000272848282 456089774 /nfs/dbraw/zinc/08/97/74/456089774.db2.gz ZQWBGPSEDIYEJD-OAQYLSRUSA-N 2 0 349.478 3.414 20 0 EGADRP CC(C)OCCC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271167814 456151251 /nfs/dbraw/zinc/15/12/51/456151251.db2.gz CXSCDTPNXHUYMR-UHFFFAOYSA-N 2 0 347.547 3.464 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2C1 ZINC000236721682 456174525 /nfs/dbraw/zinc/17/45/25/456174525.db2.gz DVTMFZXVSPAZPD-SFHVURJKSA-N 2 0 341.499 3.377 20 0 EGADRP COc1cccc([C@@H](C)[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000189003404 456195954 /nfs/dbraw/zinc/19/59/54/456195954.db2.gz JGOWKVZQDNZACK-LJQANCHMSA-N 2 0 345.531 3.250 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000297369357 456202421 /nfs/dbraw/zinc/20/24/21/456202421.db2.gz GJGXDSMDPLWLNP-LAUBAEHRSA-N 2 0 338.499 3.331 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189042200 456209812 /nfs/dbraw/zinc/20/98/12/456209812.db2.gz UDKBVJMWXADLCX-NRSPTQNISA-N 2 0 329.532 3.013 20 0 EGADRP Cc1cn2ccc(NC(=O)C3CCN(c4ccc(C)cn4)CC3)cc2n1 ZINC000620649205 460719318 /nfs/dbraw/zinc/71/93/18/460719318.db2.gz XLTFUFGLNMKHAN-UHFFFAOYSA-N 2 0 349.438 3.201 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC000237077473 456229054 /nfs/dbraw/zinc/22/90/54/456229054.db2.gz WPUUFBCMBLAULF-UHFFFAOYSA-N 2 0 343.437 3.125 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000237152813 456238635 /nfs/dbraw/zinc/23/86/35/456238635.db2.gz BUUPZTSBNCSODH-QFBILLFUSA-N 2 0 343.515 3.195 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189148990 456239847 /nfs/dbraw/zinc/23/98/47/456239847.db2.gz ZNIPHEZWIWOFAS-FCHUYYIVSA-N 2 0 343.559 3.261 20 0 EGADRP CCOc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1O ZINC000297649502 456270084 /nfs/dbraw/zinc/27/00/84/456270084.db2.gz IWPJDLMAXLWYEW-CYBMUJFWSA-N 2 0 326.868 3.218 20 0 EGADRP COc1ncccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000290245574 456273862 /nfs/dbraw/zinc/27/38/62/456273862.db2.gz SXOFXKUAGNGCBK-FXAWDEMLSA-N 2 0 339.483 3.133 20 0 EGADRP COc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1Br ZINC000290308787 456287403 /nfs/dbraw/zinc/28/74/03/456287403.db2.gz BZIGSZDIOKFXGP-WFASDCNBSA-N 2 0 341.293 3.230 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3csc(-c4ccccn4)n3)C2)CC1 ZINC000290328815 456293692 /nfs/dbraw/zinc/29/36/92/456293692.db2.gz DOLWUIDXZNIUPS-INIZCTEOSA-N 2 0 342.512 3.369 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@]1(C)CCCO1 ZINC000340240015 456334260 /nfs/dbraw/zinc/33/42/60/456334260.db2.gz QBWQKOBSPPQIMD-XLIONFOSSA-N 2 0 332.488 3.208 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCc2ccncc2C)cc1 ZINC000275874998 456337842 /nfs/dbraw/zinc/33/78/42/456337842.db2.gz OKYFKZIIDAXYOI-HXUWFJFHSA-N 2 0 335.455 3.254 20 0 EGADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337327289 456347024 /nfs/dbraw/zinc/34/70/24/456347024.db2.gz DBAFNQNFSKSQSD-OKZBNKHCSA-N 2 0 334.504 3.199 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1cscc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000352843186 456357663 /nfs/dbraw/zinc/35/76/63/456357663.db2.gz YGCRVXFQZZUONP-HNNXBMFYSA-N 2 0 349.466 3.129 20 0 EGADRP c1nc(C2CCC2)sc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352867785 456375845 /nfs/dbraw/zinc/37/58/45/456375845.db2.gz KMCQVEWNMLALJO-UHFFFAOYSA-N 2 0 349.544 3.345 20 0 EGADRP COc1cc2[nH+]ccc(N(C)C[C@@H]3CCC[N@H+](C)C3)c2cc1OC ZINC000298201283 456388973 /nfs/dbraw/zinc/38/89/73/456388973.db2.gz IFZNVQQAPBHSRS-CQSZACIVSA-N 2 0 329.444 3.030 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000298233383 456399105 /nfs/dbraw/zinc/39/91/05/456399105.db2.gz BMJZJJLGLKQWEO-UHFFFAOYSA-N 2 0 329.532 3.114 20 0 EGADRP C[N@@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000340375980 456423305 /nfs/dbraw/zinc/42/33/05/456423305.db2.gz VCDCETLULIVDLA-HAMDTZRPSA-N 2 0 327.516 3.428 20 0 EGADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000282139738 456423395 /nfs/dbraw/zinc/42/33/95/456423395.db2.gz CAFUPFFBIGMJBP-ZDUSSCGKSA-N 2 0 329.941 3.468 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000340449572 456468255 /nfs/dbraw/zinc/46/82/55/456468255.db2.gz NCCFJQCFUUEIMC-CABCVRRESA-N 2 0 329.444 3.139 20 0 EGADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256733 456487272 /nfs/dbraw/zinc/48/72/72/456487272.db2.gz PXAYVWRVNNNWGM-NQIIRXRSSA-N 2 0 329.532 3.348 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282513929 456537478 /nfs/dbraw/zinc/53/74/78/456537478.db2.gz ZEGPXWXLDSJNRA-QGZVFWFLSA-N 2 0 333.520 3.150 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000305505251 456546646 /nfs/dbraw/zinc/54/66/46/456546646.db2.gz YNMOVLIZNZIGHO-ALOPSCKCSA-N 2 0 339.524 3.237 20 0 EGADRP COC[C@H](CC(C)(C)C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000651741740 462321772 /nfs/dbraw/zinc/32/17/72/462321772.db2.gz UTTYLQOKSRNGOX-DOTOQJQBSA-N 2 0 334.508 3.085 20 0 EGADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276741637 456566776 /nfs/dbraw/zinc/56/67/76/456566776.db2.gz GQAHCYOMRBVMMR-QGZVFWFLSA-N 2 0 331.504 3.140 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308400922 456571461 /nfs/dbraw/zinc/57/14/61/456571461.db2.gz WOBONACKABIEFA-RSPOEFSDSA-N 2 0 328.500 3.444 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CC2CCC(C)(C)CC2)cc1 ZINC000348260568 456578908 /nfs/dbraw/zinc/57/89/08/456578908.db2.gz NYWWTRRCXUAUOQ-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCC(F)(F)CC1 ZINC000353239603 456579807 /nfs/dbraw/zinc/57/98/07/456579807.db2.gz XAEAMRQTZPVKFQ-HNNXBMFYSA-N 2 0 331.495 3.064 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000310059354 456580530 /nfs/dbraw/zinc/58/05/30/456580530.db2.gz XRUNFMZVLLDVJX-JKSUJKDBSA-N 2 0 339.524 3.001 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000348274809 456590212 /nfs/dbraw/zinc/59/02/12/456590212.db2.gz WGTDVAMWYYVRJV-QGZVFWFLSA-N 2 0 330.472 3.301 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCC(F)(F)CC1 ZINC000353275901 456603902 /nfs/dbraw/zinc/60/39/02/456603902.db2.gz KTOBVQZWWKYNLE-XKQJLSEDSA-N 2 0 330.463 3.168 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)N1CC[NH+](C)CC1 ZINC000353277009 456605371 /nfs/dbraw/zinc/60/53/71/456605371.db2.gz WZVOWKASVBRZAM-NVXWUHKLSA-N 2 0 331.495 3.062 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)s2)cn1 ZINC000282744825 456612256 /nfs/dbraw/zinc/61/22/56/456612256.db2.gz GFRAOYYPOMVJBG-PBHICJAKSA-N 2 0 330.501 3.065 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000353329036 456643188 /nfs/dbraw/zinc/64/31/88/456643188.db2.gz IVQCYCBWGHXIKR-KRWDZBQOSA-N 2 0 343.471 3.351 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000277091259 456677561 /nfs/dbraw/zinc/67/75/61/456677561.db2.gz KMZYRXKYTYGINQ-FQEVSTJZSA-N 2 0 347.572 3.066 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000343522823 456680778 /nfs/dbraw/zinc/68/07/78/456680778.db2.gz KLLQRRPVZCDBJK-FXAWDEMLSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353436362 456699018 /nfs/dbraw/zinc/69/90/18/456699018.db2.gz AXNYEMFMGUPCLH-UXHICEINSA-N 2 0 343.515 3.067 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCn2ccnc2)c2ccccc21 ZINC000283178232 456729775 /nfs/dbraw/zinc/72/97/75/456729775.db2.gz JQZKTWQDVHHVAZ-ZWKOTPCHSA-N 2 0 327.428 3.045 20 0 EGADRP Cc1ccccc1[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000283210303 456737099 /nfs/dbraw/zinc/73/70/99/456737099.db2.gz GZVZDCCSTITFFW-OAQYLSRUSA-N 2 0 329.532 3.452 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000291738580 456740071 /nfs/dbraw/zinc/74/00/71/456740071.db2.gz AJKCSBJCMBEQKC-KRWDZBQOSA-N 2 0 331.504 3.161 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543244 456746095 /nfs/dbraw/zinc/74/60/95/456746095.db2.gz AZVLUJYRLNUFNF-FUHWJXTLSA-N 2 0 332.488 3.218 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353545353 456748073 /nfs/dbraw/zinc/74/80/73/456748073.db2.gz LXFSVOKYRRULHR-UTKZUKDTSA-N 2 0 345.506 3.377 20 0 EGADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000291762893 456749014 /nfs/dbraw/zinc/74/90/14/456749014.db2.gz VQGSJLBWTACAFE-YOEHRIQHSA-N 2 0 345.512 3.231 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C[NH+](C)C ZINC000291775571 456753862 /nfs/dbraw/zinc/75/38/62/456753862.db2.gz UEYOUSLKMLQFAX-AWEZNQCLSA-N 2 0 341.902 3.231 20 0 EGADRP C[C@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343692108 456767752 /nfs/dbraw/zinc/76/77/52/456767752.db2.gz AQWYUPLXAKAJOG-HRAATJIYSA-N 2 0 345.506 3.303 20 0 EGADRP C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000277304047 456769207 /nfs/dbraw/zinc/76/92/07/456769207.db2.gz PHTXEBSWHSPETH-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@@H](c1ccc(F)cc1F)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343771662 456772780 /nfs/dbraw/zinc/77/27/80/456772780.db2.gz RGGBMGAIEPYELD-CABCVRRESA-N 2 0 337.458 3.126 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000277335415 456782845 /nfs/dbraw/zinc/78/28/45/456782845.db2.gz UPPNXFIBGXYJPW-QUCCMNQESA-N 2 0 348.556 3.263 20 0 EGADRP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2[nH+]1 ZINC000301064781 456787136 /nfs/dbraw/zinc/78/71/36/456787136.db2.gz GIGKRQSOFVIUFC-UHFFFAOYSA-N 2 0 347.466 3.302 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277353126 456790597 /nfs/dbraw/zinc/79/05/97/456790597.db2.gz WSOFGGNBHHXAHH-OAHLLOKOSA-N 2 0 335.517 3.153 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000348640204 456794909 /nfs/dbraw/zinc/79/49/09/456794909.db2.gz HWSJDSMCQULYAM-CVEARBPZSA-N 2 0 343.471 3.442 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)CN(Cc2ccccc2)C1 ZINC000344739464 456853475 /nfs/dbraw/zinc/85/34/75/456853475.db2.gz ULJKXAHGOIFNEL-WMZOPIPTSA-N 2 0 332.488 3.218 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341361241 456855361 /nfs/dbraw/zinc/85/53/61/456855361.db2.gz GGVXNOAVUVAIMM-UYSNPLJNSA-N 2 0 336.442 3.038 20 0 EGADRP C[C@H]1CCC[C@](C[NH2+]C2CCN(Cc3ccccn3)CC2)(N(C)C)C1 ZINC000341512398 456872197 /nfs/dbraw/zinc/87/21/97/456872197.db2.gz SHXHJQJMYZDLKO-RXVVDRJESA-N 2 0 344.547 3.146 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000292198929 456882944 /nfs/dbraw/zinc/88/29/44/456882944.db2.gz YCSCCHMKHFDAQL-AEFFLSMTSA-N 2 0 329.488 3.389 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(C)n2)[C@@H](C)C1 ZINC000353864820 456941699 /nfs/dbraw/zinc/94/16/99/456941699.db2.gz JXGZOWJNYZWKMV-FXAWDEMLSA-N 2 0 333.520 3.049 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000349375850 456957023 /nfs/dbraw/zinc/95/70/23/456957023.db2.gz DJTQHCCRWVVQPF-IJEWVQPXSA-N 2 0 339.574 3.289 20 0 EGADRP Cc1ccc(CCC[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000353945847 456975251 /nfs/dbraw/zinc/97/52/51/456975251.db2.gz SOKLWHKSZHKXGJ-UHFFFAOYSA-N 2 0 327.472 3.053 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000356598283 457075953 /nfs/dbraw/zinc/07/59/53/457075953.db2.gz PNFFVXJLVFDAKC-FUHWJXTLSA-N 2 0 346.519 3.010 20 0 EGADRP Cc1ccccc1Cc1nnc(CN2CCC[C@H](c3ncc[nH]3)C2)o1 ZINC000362828329 457111615 /nfs/dbraw/zinc/11/16/15/457111615.db2.gz DVWISNHYFWYRKM-INIZCTEOSA-N 2 0 337.427 3.072 20 0 EGADRP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000354272769 457167249 /nfs/dbraw/zinc/16/72/49/457167249.db2.gz QOEJSEMIJXVTBW-FXAWDEMLSA-N 2 0 345.531 3.354 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000339687058 457212777 /nfs/dbraw/zinc/21/27/77/457212777.db2.gz GAGPCMFXVVDGHY-INIZCTEOSA-N 2 0 335.561 3.475 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000354494479 457256542 /nfs/dbraw/zinc/25/65/42/457256542.db2.gz GEAUZTITBUJGOX-UMGGQSCQSA-N 2 0 346.515 3.464 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000342428181 457299228 /nfs/dbraw/zinc/29/92/28/457299228.db2.gz ZXRHFCRHNCOJPC-PMACEKPBSA-N 2 0 339.483 3.305 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000378104369 457374870 /nfs/dbraw/zinc/37/48/70/457374870.db2.gz RLWKHDMKSLGUQM-GOSISDBHSA-N 2 0 326.488 3.015 20 0 EGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000363671321 457408676 /nfs/dbraw/zinc/40/86/76/457408676.db2.gz KZCVIGHMIHWOHY-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP CC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000357312548 457440760 /nfs/dbraw/zinc/44/07/60/457440760.db2.gz JHIVXZSKWAZZPB-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000369894487 457449391 /nfs/dbraw/zinc/44/93/91/457449391.db2.gz WKHAJLOKPHTMJR-ONEGZZNKSA-N 2 0 345.506 3.188 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000369965723 457481404 /nfs/dbraw/zinc/48/14/04/457481404.db2.gz ZYWIONJOUOHSFF-AZUAARDMSA-N 2 0 343.515 3.028 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000397918070 457492251 /nfs/dbraw/zinc/49/22/51/457492251.db2.gz JJNSHYOGJWQSGY-HKUYNNGSSA-N 2 0 347.503 3.155 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000357409136 457504370 /nfs/dbraw/zinc/50/43/70/457504370.db2.gz HOPOBWRZZVGGJN-QFBILLFUSA-N 2 0 331.504 3.131 20 0 EGADRP Cc1cccc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000399698977 457509702 /nfs/dbraw/zinc/50/97/02/457509702.db2.gz AYEHGAOTPDUMCQ-SFTDATJTSA-N 2 0 335.495 3.386 20 0 EGADRP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347563265 457511733 /nfs/dbraw/zinc/51/17/33/457511733.db2.gz IEUUUTSEMHJSRZ-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000425409156 457541061 /nfs/dbraw/zinc/54/10/61/457541061.db2.gz ABNFKUXODNSRIZ-PWRODBHTSA-N 2 0 328.500 3.398 20 0 EGADRP OCc1ccccc1CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000347620371 457555241 /nfs/dbraw/zinc/55/52/41/457555241.db2.gz FCJDDNVZPZXXRX-UHFFFAOYSA-N 2 0 330.516 3.309 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C/C=C\c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000352756190 457584715 /nfs/dbraw/zinc/58/47/15/457584715.db2.gz OXGNBBUSTJTDAQ-HNXFAEETSA-N 2 0 338.442 3.457 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cnn(C)c1 ZINC000370329126 457621078 /nfs/dbraw/zinc/62/10/78/457621078.db2.gz ZLOJNWOHIJUJRU-AGKXRFJRSA-N 2 0 338.499 3.371 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361173385 457629071 /nfs/dbraw/zinc/62/90/71/457629071.db2.gz GRVVUXSMDITDJV-VQIMIIECSA-N 2 0 331.504 3.048 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000425933515 457654815 /nfs/dbraw/zinc/65/48/15/457654815.db2.gz VADDSXNEKPVBII-OXQOHEQNSA-N 2 0 327.472 3.161 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000357784916 457688482 /nfs/dbraw/zinc/68/84/82/457688482.db2.gz AOEKUMVNKFQYOF-JXFKEZNVSA-N 2 0 329.488 3.389 20 0 EGADRP CCC[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000374990937 457747003 /nfs/dbraw/zinc/74/70/03/457747003.db2.gz OVMLMKUCAHOTSY-RTWAWAEBSA-N 2 0 329.532 3.282 20 0 EGADRP CC(C)CC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000358049781 457754117 /nfs/dbraw/zinc/75/41/17/457754117.db2.gz RYDASLNLIRCOCH-SFHVURJKSA-N 2 0 345.531 3.427 20 0 EGADRP Cc1cccc([C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C(C)(C)C)c1 ZINC000433132058 457763347 /nfs/dbraw/zinc/76/33/47/457763347.db2.gz WONFYPVRGYSMHH-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000433175403 457769560 /nfs/dbraw/zinc/76/95/60/457769560.db2.gz OAENAVNPBIKANY-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCC[C@H]1C ZINC000361542135 457782036 /nfs/dbraw/zinc/78/20/36/457782036.db2.gz WQHPXWQGIYWLHN-SQNIBIBYSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000433319292 457810857 /nfs/dbraw/zinc/81/08/57/457810857.db2.gz QUMTWYVISZVURT-HXUWFJFHSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358177305 457837052 /nfs/dbraw/zinc/83/70/52/457837052.db2.gz PAXQSAMHDKZCGG-QRWLVFNGSA-N 2 0 346.446 3.150 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC000375239478 457847024 /nfs/dbraw/zinc/84/70/24/457847024.db2.gz UUSXBNWMACIKPI-NRFANRHFSA-N 2 0 341.543 3.414 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccnc2ccncc21 ZINC000444077881 457848336 /nfs/dbraw/zinc/84/83/36/457848336.db2.gz UNBLGHJSIWSSRY-APWZRJJASA-N 2 0 332.451 3.374 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC000361791513 457862038 /nfs/dbraw/zinc/86/20/38/457862038.db2.gz ZTOJQFDHJUIDSU-QZTJIDSGSA-N 2 0 340.556 3.010 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000371325420 457866889 /nfs/dbraw/zinc/86/68/89/457866889.db2.gz FKPKYTUAFGMUFR-OAQYLSRUSA-N 3 0 341.543 3.459 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000411440325 457888966 /nfs/dbraw/zinc/88/89/66/457888966.db2.gz BLFIVBJEHHDPGP-AWEZNQCLSA-N 2 0 337.533 3.005 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000411626368 457931923 /nfs/dbraw/zinc/93/19/23/457931923.db2.gz ZQVHMIQQJXPYIS-YLJYHZDGSA-N 2 0 344.499 3.304 20 0 EGADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332370 457937513 /nfs/dbraw/zinc/93/75/13/457937513.db2.gz VZSTWZWPJGUYEG-CZUORRHYSA-N 2 0 330.394 3.195 20 0 EGADRP COCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCO[C@@H]1C ZINC000411651995 457940231 /nfs/dbraw/zinc/94/02/31/457940231.db2.gz DBIIYKAXHQGKCE-WIYYLYMNSA-N 2 0 346.515 3.298 20 0 EGADRP c1c[nH]c([C@H]([NH2+]CCc2cn3c(n2)CCCC3)C2CCCCC2)n1 ZINC000367615119 457968311 /nfs/dbraw/zinc/96/83/11/457968311.db2.gz JXIUXBQPJQZQAU-GOSISDBHSA-N 2 0 327.476 3.396 20 0 EGADRP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)ccc1C[NH+](C)C ZINC000458297483 458005254 /nfs/dbraw/zinc/00/52/54/458005254.db2.gz YXZDFDYKDORHPQ-IBGZPJMESA-N 2 0 329.488 3.402 20 0 EGADRP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445411555 458046766 /nfs/dbraw/zinc/04/67/66/458046766.db2.gz KQGJVHOQWCWOOT-JBYIUTFZSA-N 2 0 341.543 3.194 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428045770 458070634 /nfs/dbraw/zinc/07/06/34/458070634.db2.gz RGAWKXCLZRYCDU-CZUORRHYSA-N 2 0 328.378 3.158 20 0 EGADRP CCCc1nc(C)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000428253226 458108930 /nfs/dbraw/zinc/10/89/30/458108930.db2.gz AGBRNLIYYUPGCO-UHFFFAOYSA-N 2 0 335.492 3.012 20 0 EGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435370020 458122973 /nfs/dbraw/zinc/12/29/73/458122973.db2.gz HIDQCQCKOSVZJN-IAGOWNOFSA-N 2 0 347.466 3.103 20 0 EGADRP CC(C)O[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000428366810 458127906 /nfs/dbraw/zinc/12/79/06/458127906.db2.gz ZSJWIZZIVPSMRL-UWHLTILDSA-N 2 0 346.515 3.336 20 0 EGADRP C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@@H]1[NH3+] ZINC000435378831 458128499 /nfs/dbraw/zinc/12/84/99/458128499.db2.gz KDRPPIUIDOMYSL-UZLBHIALSA-N 2 0 347.466 3.103 20 0 EGADRP CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412210386 458129521 /nfs/dbraw/zinc/12/95/21/458129521.db2.gz QRRBITOPURKITI-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435386136 458132937 /nfs/dbraw/zinc/13/29/37/458132937.db2.gz VIUDNFPBNXXYHG-KRWDZBQOSA-N 2 0 346.906 3.372 20 0 EGADRP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000458762210 458163217 /nfs/dbraw/zinc/16/32/17/458163217.db2.gz HYFNDMHPHARKNN-FUHWJXTLSA-N 2 0 348.535 3.097 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428865267 458224433 /nfs/dbraw/zinc/22/44/33/458224433.db2.gz VUPIVRAMFXAMDX-UHFFFAOYSA-N 2 0 349.466 3.130 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCCc3ccccc3)C2)CC1 ZINC000372338365 458282035 /nfs/dbraw/zinc/28/20/35/458282035.db2.gz QLNMXZAIJGCOOT-OAQYLSRUSA-N 2 0 329.532 3.110 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC000436284937 458282911 /nfs/dbraw/zinc/28/29/11/458282911.db2.gz NCDAJKXEQZTVRF-XLIONFOSSA-N 2 0 329.532 3.316 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)o1 ZINC000447586017 458316254 /nfs/dbraw/zinc/31/62/54/458316254.db2.gz MGJGHKXGOQZCLR-OAHLLOKOSA-N 2 0 343.471 3.039 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429420999 458331406 /nfs/dbraw/zinc/33/14/06/458331406.db2.gz DSEIEFSXFNBCJH-ICSRJNTNSA-N 2 0 334.479 3.144 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447731106 458336093 /nfs/dbraw/zinc/33/60/93/458336093.db2.gz LZYNBCHDHVLWLJ-UHFFFAOYSA-N 2 0 342.886 3.454 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(C4CC4)cc3)ccn2)CC1 ZINC000459383344 458352314 /nfs/dbraw/zinc/35/23/14/458352314.db2.gz XQAMAOOWCKWZBP-UHFFFAOYSA-N 2 0 336.483 3.001 20 0 EGADRP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459408913 458361287 /nfs/dbraw/zinc/36/12/87/458361287.db2.gz IWGSEIFPXNDUCI-LPHOPBHVSA-N 2 0 331.504 3.481 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459422389 458366602 /nfs/dbraw/zinc/36/66/02/458366602.db2.gz HXUPITHIPOKITB-UHFFFAOYSA-N 3 0 344.547 3.398 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C3CC3)cc2)ccn1 ZINC000459466765 458381893 /nfs/dbraw/zinc/38/18/93/458381893.db2.gz RECUNAKBUFYSEO-UHFFFAOYSA-N 2 0 325.456 3.189 20 0 EGADRP CC1CCC(O)(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000448124390 458391920 /nfs/dbraw/zinc/39/19/20/458391920.db2.gz XNQAWWDZXNBHND-CKHPTIKVSA-N 2 0 330.516 3.382 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000373207032 458430297 /nfs/dbraw/zinc/43/02/97/458430297.db2.gz CATXFAQCSSTVOP-TZIWHRDSSA-N 2 0 329.532 3.281 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000423441813 458433529 /nfs/dbraw/zinc/43/35/29/458433529.db2.gz WGMRFQDKHSCAPM-OXJNMPFZSA-N 2 0 337.467 3.101 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000423441812 458433658 /nfs/dbraw/zinc/43/36/58/458433658.db2.gz WGMRFQDKHSCAPM-JXFKEZNVSA-N 2 0 337.467 3.101 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423442053 458433822 /nfs/dbraw/zinc/43/38/22/458433822.db2.gz UTLALLOLNPDJTJ-BULFRSBZSA-N 3 0 341.543 3.060 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423461421 458436309 /nfs/dbraw/zinc/43/63/09/458436309.db2.gz CMTQILYQBSRMJF-CUWPLCDZSA-N 2 0 339.483 3.481 20 0 EGADRP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000423469845 458437515 /nfs/dbraw/zinc/43/75/15/458437515.db2.gz KUYPHVLTBIMNMX-URLQWDBASA-N 2 0 330.451 3.086 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000423488861 458442153 /nfs/dbraw/zinc/44/21/53/458442153.db2.gz FDXNFOCRRDBYNO-XUJVJEKNSA-N 2 0 339.277 3.380 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(I)cc1 ZINC000423492159 458442367 /nfs/dbraw/zinc/44/23/67/458442367.db2.gz LYKPVWKWHPJJDZ-MISXGVKJSA-N 2 0 344.240 3.069 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CCc3ccccc3Cl)CC2)CC1 ZINC000373258353 458445182 /nfs/dbraw/zinc/44/51/82/458445182.db2.gz YOZOSZRTIJLDNG-UHFFFAOYSA-N 2 0 349.950 3.232 20 0 EGADRP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC000423510074 458447993 /nfs/dbraw/zinc/44/79/93/458447993.db2.gz RZFKBUCOAFAUPO-BURNTYAHSA-N 2 0 327.516 3.004 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000423517105 458449061 /nfs/dbraw/zinc/44/90/61/458449061.db2.gz ULOIRBDTNZTWDT-FDKIHUSFSA-N 3 0 327.516 3.147 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000423527202 458453050 /nfs/dbraw/zinc/45/30/50/458453050.db2.gz LYMJSDWGUDZDJN-TWHAJKEOSA-N 2 0 349.522 3.385 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423537454 458455150 /nfs/dbraw/zinc/45/51/50/458455150.db2.gz JZBSQIIUVVGBRY-MOPGFXCFSA-N 2 0 334.891 3.330 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423553455 458457121 /nfs/dbraw/zinc/45/71/21/458457121.db2.gz GXSPBNUVYMDJGN-MJGOQNOKSA-N 2 0 329.532 3.394 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373309546 458457922 /nfs/dbraw/zinc/45/79/22/458457922.db2.gz GQBIREZDBRQPST-INIZCTEOSA-N 2 0 336.549 3.214 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000459732488 458461246 /nfs/dbraw/zinc/46/12/46/458461246.db2.gz GABZDICMTQNREH-CLAROIROSA-N 3 0 341.543 3.219 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000430585825 458466898 /nfs/dbraw/zinc/46/68/98/458466898.db2.gz RJDBAOCJFGFORE-ZFWWWQNUSA-N 2 0 325.884 3.281 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000430583925 458466951 /nfs/dbraw/zinc/46/69/51/458466951.db2.gz YKWGGZLNOZURON-DZGCQCFKSA-N 2 0 325.884 3.281 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000430583927 458467183 /nfs/dbraw/zinc/46/71/83/458467183.db2.gz YKWGGZLNOZURON-UKRRQHHQSA-N 2 0 325.884 3.281 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423725507 458476734 /nfs/dbraw/zinc/47/67/34/458476734.db2.gz IQJQIANIVUUJCS-DPAMDZCMSA-N 2 0 347.547 3.004 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423735870 458477959 /nfs/dbraw/zinc/47/79/59/458477959.db2.gz XPTGARWVUPHGSB-MTHXSQLBSA-N 2 0 335.536 3.148 20 0 EGADRP [NH3+][C@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000423781872 458482290 /nfs/dbraw/zinc/48/22/90/458482290.db2.gz YFRBRCGPQCYHTB-HXUWFJFHSA-N 2 0 337.467 3.354 20 0 EGADRP C[N@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373423886 458489277 /nfs/dbraw/zinc/48/92/77/458489277.db2.gz WZVVCONOTBYMCB-SFHVURJKSA-N 2 0 337.458 3.225 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000430925765 458506082 /nfs/dbraw/zinc/50/60/82/458506082.db2.gz DTOGLAHECUFOME-UHFFFAOYSA-N 2 0 348.288 3.429 20 0 EGADRP FC(F)(F)COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430935505 458507239 /nfs/dbraw/zinc/50/72/39/458507239.db2.gz UKJUPAQELPRLBM-UHFFFAOYSA-N 2 0 328.378 3.203 20 0 EGADRP C[C@H]1C[C@@H](CCNC(=O)C2([NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423891731 458507853 /nfs/dbraw/zinc/50/78/53/458507853.db2.gz BRYKANIELGNFDU-PKOBYXMFSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000430945741 458508957 /nfs/dbraw/zinc/50/89/57/458508957.db2.gz SMNTXGQERZSHKS-IERDGZPVSA-N 2 0 343.515 3.093 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000430949856 458510045 /nfs/dbraw/zinc/51/00/45/458510045.db2.gz PCABXEUBZOPMIZ-GFCCVEGCSA-N 2 0 345.468 3.098 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423925130 458512989 /nfs/dbraw/zinc/51/29/89/458512989.db2.gz SVLVFTPLGKRDCY-HNNXBMFYSA-N 2 0 343.471 3.122 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000377833669 458545536 /nfs/dbraw/zinc/54/55/36/458545536.db2.gz FNSPLBKXHJYHDA-CEWLAPEOSA-N 2 0 344.499 3.161 20 0 EGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000373602673 458548079 /nfs/dbraw/zinc/54/80/79/458548079.db2.gz GDSLVQSVYQXRTK-FVQBIDKESA-N 2 0 342.405 3.089 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1)C(C)C ZINC000424063927 458549363 /nfs/dbraw/zinc/54/93/63/458549363.db2.gz DJJKRUDVYVXVQH-HLIPFELVSA-N 2 0 345.531 3.362 20 0 EGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424151568 458571411 /nfs/dbraw/zinc/57/14/11/458571411.db2.gz HZPPVSMABLQYFK-OTWHNJEPSA-N 2 0 335.536 3.150 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)[C@H](C)C1 ZINC000493895502 458595969 /nfs/dbraw/zinc/59/59/69/458595969.db2.gz XMLQATNTQXCKQJ-RLLQIKCJSA-N 2 0 346.515 3.107 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424273994 458601474 /nfs/dbraw/zinc/60/14/74/458601474.db2.gz XVTNSLXCGNURER-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493941490 458603621 /nfs/dbraw/zinc/60/36/21/458603621.db2.gz LCZMICFKHAAOEK-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493941494 458603984 /nfs/dbraw/zinc/60/39/84/458603984.db2.gz LCZMICFKHAAOEK-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424289599 458605575 /nfs/dbraw/zinc/60/55/75/458605575.db2.gz MBYSDMDVPDLDKN-GOSISDBHSA-N 2 0 328.435 3.414 20 0 EGADRP COC(=O)CC1CC([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000424300209 458609570 /nfs/dbraw/zinc/60/95/70/458609570.db2.gz JWKYZXPUQOUBHJ-OVZGMEQFSA-N 2 0 344.499 3.218 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000424326220 458615873 /nfs/dbraw/zinc/61/58/73/458615873.db2.gz YDTSFGNKWGOHHW-CABCVRRESA-N 2 0 340.895 3.236 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000424326225 458615897 /nfs/dbraw/zinc/61/58/97/458615897.db2.gz YDTSFGNKWGOHHW-GJZGRUSLSA-N 2 0 340.895 3.236 20 0 EGADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(OC(F)F)c1 ZINC000424385155 458631332 /nfs/dbraw/zinc/63/13/32/458631332.db2.gz WAFIXSDNCVOXFW-ZDUSSCGKSA-N 2 0 340.414 3.261 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000424435499 458643432 /nfs/dbraw/zinc/64/34/32/458643432.db2.gz IRIJNGRPHMNFHU-IYBDPMFKSA-N 2 0 346.519 3.332 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424445289 458644444 /nfs/dbraw/zinc/64/44/44/458644444.db2.gz OIRJUBOMIPXRCP-CQSZACIVSA-N 2 0 332.492 3.086 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000462810501 458656601 /nfs/dbraw/zinc/65/66/01/458656601.db2.gz CVWPBIOHVFFTAM-CAMMJAKZSA-N 2 0 331.479 3.114 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494349266 458661526 /nfs/dbraw/zinc/66/15/26/458661526.db2.gz LFUBOAKKXGSDAN-UZLBHIALSA-N 2 0 341.499 3.484 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC000546723446 458666069 /nfs/dbraw/zinc/66/60/69/458666069.db2.gz KZRPGZGCWZLZSB-LJQANCHMSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000502798244 458671007 /nfs/dbraw/zinc/67/10/07/458671007.db2.gz ZQPIZLFGIVMNJE-IAGOWNOFSA-N 2 0 348.535 3.145 20 0 EGADRP CC(C)COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432350889 458721247 /nfs/dbraw/zinc/72/12/47/458721247.db2.gz GLCUYTITHOASBO-GOSISDBHSA-N 2 0 334.504 3.312 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1(CC)CC ZINC000432408822 458734560 /nfs/dbraw/zinc/73/45/60/458734560.db2.gz VOOXZNNJEYQEOI-RCCFBDPRSA-N 2 0 326.525 3.061 20 0 EGADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432417297 458735409 /nfs/dbraw/zinc/73/54/09/458735409.db2.gz LLGNGEFSDIPDSO-TZIWHRDSSA-N 2 0 348.531 3.318 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc(F)cc(Cl)c2)CC1 ZINC000547604495 458761322 /nfs/dbraw/zinc/76/13/22/458761322.db2.gz CTPBOSDHDGCSGD-UHFFFAOYSA-N 2 0 334.826 3.238 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000439900667 458763623 /nfs/dbraw/zinc/76/36/23/458763623.db2.gz LVDLFUFNNHVURV-LJQANCHMSA-N 2 0 335.536 3.164 20 0 EGADRP CCc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000432855383 458802726 /nfs/dbraw/zinc/80/27/26/458802726.db2.gz RETKLWMIRGBMSL-MRXNPFEDSA-N 2 0 327.472 3.132 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000473295896 458823677 /nfs/dbraw/zinc/82/36/77/458823677.db2.gz MGKRLNKPDXOFNB-OALUTQOASA-N 2 0 333.520 3.135 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548124630 458841950 /nfs/dbraw/zinc/84/19/50/458841950.db2.gz KLZLKLBRLHPECI-CZUORRHYSA-N 2 0 339.911 3.226 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C)[NH+]1CCCC1 ZINC000474469214 458887616 /nfs/dbraw/zinc/88/76/16/458887616.db2.gz LKHJGURHWIIBNW-LULLPPNCSA-N 2 0 338.536 3.454 20 0 EGADRP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000474632826 458895208 /nfs/dbraw/zinc/89/52/08/458895208.db2.gz RHRNMCDICDUKRL-MJGOQNOKSA-N 2 0 330.520 3.138 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@H]1C ZINC000474799640 458901451 /nfs/dbraw/zinc/90/14/51/458901451.db2.gz IRXLWCOHOXMTEL-WDSOQIARSA-N 2 0 338.536 3.312 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495671415 458915236 /nfs/dbraw/zinc/91/52/36/458915236.db2.gz PVWFTGOTUVFJIX-HNNXBMFYSA-N 2 0 339.524 3.096 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000556247234 458941669 /nfs/dbraw/zinc/94/16/69/458941669.db2.gz SNUUEOQHXYVLNZ-FUHWJXTLSA-N 2 0 325.456 3.263 20 0 EGADRP Cc1nc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000566496584 458948432 /nfs/dbraw/zinc/94/84/32/458948432.db2.gz JPXHJYFOVRMZJH-BEFAXECRSA-N 2 0 326.488 3.417 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000576942149 458950941 /nfs/dbraw/zinc/95/09/41/458950941.db2.gz JYWIXKPIWRIDDA-QGZVFWFLSA-N 2 0 331.504 3.424 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]C(C2CC2)C2CC2)[C@@H](c2ccccc2)C1 ZINC000531685505 458960215 /nfs/dbraw/zinc/96/02/15/458960215.db2.gz CBAJQOFARLSANI-HXUWFJFHSA-N 2 0 327.516 3.143 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000566792203 459001418 /nfs/dbraw/zinc/00/14/18/459001418.db2.gz NLOREPYLWQKLRQ-OAQYLSRUSA-N 2 0 344.474 3.359 20 0 EGADRP C[NH+](C)C1(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CCCCCC1 ZINC000566794912 459001512 /nfs/dbraw/zinc/00/15/12/459001512.db2.gz UIOZGRSBWXKAGS-GOSISDBHSA-N 2 0 331.504 3.237 20 0 EGADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000531956682 459006650 /nfs/dbraw/zinc/00/66/50/459006650.db2.gz UAWJIHTXIMBAKG-MOPGFXCFSA-N 2 0 344.524 3.387 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577373697 459024047 /nfs/dbraw/zinc/02/40/47/459024047.db2.gz YBRHFDSOMQULAF-IRXDYDNUSA-N 2 0 325.456 3.065 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496048284 459049063 /nfs/dbraw/zinc/04/90/63/459049063.db2.gz PXPXOXKGHGBHDZ-OTBWCIGPSA-N 2 0 339.524 3.237 20 0 EGADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000567169603 459057645 /nfs/dbraw/zinc/05/76/45/459057645.db2.gz WTBDIHCGANGDCL-CRAIPNDOSA-N 2 0 329.488 3.388 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000442916742 459060053 /nfs/dbraw/zinc/06/00/53/459060053.db2.gz AGLDHNMALGEISD-QGZVFWFLSA-N 2 0 325.456 3.221 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442932171 459063016 /nfs/dbraw/zinc/06/30/16/459063016.db2.gz XILVEBNFDJFNAM-INIZCTEOSA-N 2 0 325.456 3.318 20 0 EGADRP CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999355 459065402 /nfs/dbraw/zinc/06/54/02/459065402.db2.gz BNWFXQUQPXBSEU-FXAWDEMLSA-N 2 0 345.531 3.265 20 0 EGADRP Fc1ccc(COc2cccc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000577633710 459066001 /nfs/dbraw/zinc/06/60/01/459066001.db2.gz VBWWZYNTRIHYMX-OALUTQOASA-N 2 0 340.442 3.446 20 0 EGADRP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000577708877 459078676 /nfs/dbraw/zinc/07/86/76/459078676.db2.gz BERCXBNTZJGEER-DFEOGRTESA-N 2 0 334.508 3.194 20 0 EGADRP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1cccs1 ZINC000443057672 459078647 /nfs/dbraw/zinc/07/86/47/459078647.db2.gz HRISJFMVMZFHCF-WMLDXEAASA-N 2 0 337.533 3.012 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000532449810 459089557 /nfs/dbraw/zinc/08/95/57/459089557.db2.gz KXFIBBWDEUOROX-RTWAWAEBSA-N 2 0 329.532 3.389 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c(F)c1 ZINC000557831718 459111856 /nfs/dbraw/zinc/11/18/56/459111856.db2.gz IPIZVHRBTSKJNM-UHFFFAOYSA-N 2 0 346.446 3.455 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479328720 459133682 /nfs/dbraw/zinc/13/36/82/459133682.db2.gz TVPVPJJIWYXTMM-IBGZPJMESA-N 2 0 339.474 3.279 20 0 EGADRP Fc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000567639774 459139270 /nfs/dbraw/zinc/13/92/70/459139270.db2.gz VZLPWLMSCFKWTK-QUCCMNQESA-N 2 0 344.405 3.353 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000567694149 459147684 /nfs/dbraw/zinc/14/76/84/459147684.db2.gz JTBWCLPYLBZYGS-GPANFISMSA-N 2 0 344.421 3.071 20 0 EGADRP O[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567700923 459149171 /nfs/dbraw/zinc/14/91/71/459149171.db2.gz VBNQDUKFHVVPBU-FCHUYYIVSA-N 2 0 338.495 3.092 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000567752332 459160281 /nfs/dbraw/zinc/16/02/81/459160281.db2.gz GNZKAWPEJGUUGM-VQTJNVASSA-N 2 0 327.472 3.025 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000521613698 459165705 /nfs/dbraw/zinc/16/57/05/459165705.db2.gz XQDZIAALESSKRF-OAQYLSRUSA-N 2 0 326.484 3.065 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000521823843 459179529 /nfs/dbraw/zinc/17/95/29/459179529.db2.gz PUQRYARQTLPDEF-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724537 459215880 /nfs/dbraw/zinc/21/58/80/459215880.db2.gz VTIAUQCHFMNVMG-FMKPAKJESA-N 2 0 341.421 3.214 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000480909847 459223276 /nfs/dbraw/zinc/22/32/76/459223276.db2.gz HIVNKMIUNQHBLN-WOJBJXKFSA-N 2 0 345.531 3.106 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000480922319 459223318 /nfs/dbraw/zinc/22/33/18/459223318.db2.gz WOOVAVZRYMWZQW-LWYYNNOASA-N 2 0 340.552 3.308 20 0 EGADRP CC(C)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000595339716 459280671 /nfs/dbraw/zinc/28/06/71/459280671.db2.gz POOLRWQIVSZILQ-NRFANRHFSA-N 2 0 329.532 3.410 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000582026470 459293294 /nfs/dbraw/zinc/29/32/94/459293294.db2.gz JDQVBQGSGGVJHC-JXFKEZNVSA-N 2 0 340.515 3.161 20 0 EGADRP COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000560268639 459317962 /nfs/dbraw/zinc/31/79/62/459317962.db2.gz ZGRFMPFWVWGMHK-APWZRJJASA-N 2 0 346.515 3.259 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCCC1 ZINC000591132874 459319513 /nfs/dbraw/zinc/31/95/13/459319513.db2.gz BXDFKNGTRKGYRW-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560336574 459324470 /nfs/dbraw/zinc/32/44/70/459324470.db2.gz YSYCUUAXQIJNDR-HXUWFJFHSA-N 2 0 348.531 3.095 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000523727073 459327243 /nfs/dbraw/zinc/32/72/43/459327243.db2.gz XCJBFEONVAGGBN-SFHVURJKSA-N 2 0 343.515 3.131 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000483736848 459387761 /nfs/dbraw/zinc/38/77/61/459387761.db2.gz SUBGUJQCHCLRQT-QZTJIDSGSA-N 2 0 340.556 3.013 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3ccc(F)cc3)CCC2)CC[NH2+]CC1 ZINC000591568327 459403196 /nfs/dbraw/zinc/40/31/96/459403196.db2.gz NOIGOUBKXMHCRK-HNNXBMFYSA-N 2 0 348.462 3.116 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000582689246 459409631 /nfs/dbraw/zinc/40/96/31/459409631.db2.gz INHQHLZGQXFLIJ-UHFFFAOYSA-N 2 0 335.398 3.249 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497177389 459473953 /nfs/dbraw/zinc/47/39/53/459473953.db2.gz KDOSCYGPZOISKC-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1)C1CC1 ZINC000569809670 459513500 /nfs/dbraw/zinc/51/35/00/459513500.db2.gz UNWWPDNTGJOKRS-QAQDUYKDSA-N 2 0 343.515 3.166 20 0 EGADRP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccn1 ZINC000527535097 459656668 /nfs/dbraw/zinc/65/66/68/459656668.db2.gz PXLIUMIDKUJNPJ-UHFFFAOYSA-N 3 0 344.547 3.018 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)CC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000562995288 459689875 /nfs/dbraw/zinc/68/98/75/459689875.db2.gz BNVDQKVYJGZWAP-PVAVHDDUSA-N 2 0 344.421 3.190 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527665506 459690891 /nfs/dbraw/zinc/69/08/91/459690891.db2.gz JCHHUDSADRQSFF-UHFFFAOYSA-N 2 0 344.272 3.195 20 0 EGADRP COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000596639263 459709304 /nfs/dbraw/zinc/70/93/04/459709304.db2.gz ORIDZPUATGSUBO-ZIAGYGMSSA-N 2 0 326.387 3.013 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000584361917 459719553 /nfs/dbraw/zinc/71/95/53/459719553.db2.gz HTPPAHBPFGXOOW-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000573783386 459734374 /nfs/dbraw/zinc/73/43/74/459734374.db2.gz FJSVRTIZGMCIJF-QGZVFWFLSA-N 2 0 344.503 3.325 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)c2ccccc21 ZINC000566089206 459803438 /nfs/dbraw/zinc/80/34/38/459803438.db2.gz GRTUMWOAQXBDIM-NEPJUHHUSA-N 2 0 327.375 3.439 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000566103423 459804974 /nfs/dbraw/zinc/80/49/74/459804974.db2.gz NRLCXYODTRANJK-KRWDZBQOSA-N 2 0 339.487 3.056 20 0 EGADRP Cc1ccc2cc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)[nH]c2c1 ZINC000597025921 459820385 /nfs/dbraw/zinc/82/03/85/459820385.db2.gz JWHPCRVHMHSQAR-HXUWFJFHSA-N 2 0 340.515 3.077 20 0 EGADRP COC(=O)c1oc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1C ZINC000597061757 459829961 /nfs/dbraw/zinc/82/99/61/459829961.db2.gz YESITGVMZYBVFR-UHFFFAOYSA-N 2 0 336.476 3.222 20 0 EGADRP Cc1cc(C)cc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000608749746 459874889 /nfs/dbraw/zinc/87/48/89/459874889.db2.gz UHHQUWKHVMDTTQ-UHFFFAOYSA-N 2 0 346.515 3.259 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000575052689 459917408 /nfs/dbraw/zinc/91/74/08/459917408.db2.gz GVSPAPKAVCXYQV-NRFANRHFSA-N 2 0 326.484 3.220 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000575115927 459930622 /nfs/dbraw/zinc/93/06/22/459930622.db2.gz OUSUFISGKDMUPS-UHFFFAOYSA-N 2 0 340.471 3.112 20 0 EGADRP CCOC(=O)c1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[nH]1 ZINC000602531471 459985807 /nfs/dbraw/zinc/98/58/07/459985807.db2.gz WEKKDIXDJYKBJC-UHFFFAOYSA-N 2 0 343.471 3.321 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)o1 ZINC000618385446 459992122 /nfs/dbraw/zinc/99/21/22/459992122.db2.gz RYGNXOXJONZMLU-JKSUJKDBSA-N 2 0 335.492 3.114 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599071664 460151286 /nfs/dbraw/zinc/15/12/86/460151286.db2.gz SBGWTPDHROINOT-JKSUJKDBSA-N 2 0 348.487 3.464 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000576820431 460218712 /nfs/dbraw/zinc/21/87/12/460218712.db2.gz RUJPNSAHBAALGA-CVEARBPZSA-N 2 0 339.483 3.015 20 0 EGADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000618990710 460244523 /nfs/dbraw/zinc/24/45/23/460244523.db2.gz NWVISAHODKHQDT-GOSISDBHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)o1 ZINC000622732026 460300264 /nfs/dbraw/zinc/30/02/64/460300264.db2.gz VQNSQSYULADCGN-UHFFFAOYSA-N 2 0 343.471 3.113 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000604727027 460467464 /nfs/dbraw/zinc/46/74/64/460467464.db2.gz PYENMOSIZVYUKZ-KRWDZBQOSA-N 2 0 337.508 3.218 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000634679176 460471783 /nfs/dbraw/zinc/47/17/83/460471783.db2.gz MZDWSTUZWZWBBI-BEFAXECRSA-N 2 0 339.474 3.135 20 0 EGADRP FC(F)(F)c1ccn(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000634687350 460477626 /nfs/dbraw/zinc/47/76/26/460477626.db2.gz IEMWYTJLJGUSPP-UHFFFAOYSA-N 2 0 344.425 3.289 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C(C)(C)C ZINC000604786391 460480165 /nfs/dbraw/zinc/48/01/65/460480165.db2.gz HBEZPPSKRIYNDC-HOTGVXAUSA-N 2 0 342.572 3.018 20 0 EGADRP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631667542 460500675 /nfs/dbraw/zinc/50/06/75/460500675.db2.gz QAYUAEUBKMHLNE-ZIFCJYIRSA-N 2 0 326.488 3.322 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623358636 460508827 /nfs/dbraw/zinc/50/88/27/460508827.db2.gz KNMKLIHDHRDNPX-UHFFFAOYSA-N 2 0 345.466 3.008 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000623358163 460509481 /nfs/dbraw/zinc/50/94/81/460509481.db2.gz QYLKZCCTPOWKST-INIZCTEOSA-N 2 0 345.466 3.008 20 0 EGADRP c1[nH]nc2cccc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)c12 ZINC000623400231 460529005 /nfs/dbraw/zinc/52/90/05/460529005.db2.gz MIPSFFGXTQXIEL-GOSISDBHSA-N 2 0 334.467 3.217 20 0 EGADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H](O)C(F)(F)F ZINC000631716189 460529464 /nfs/dbraw/zinc/52/94/64/460529464.db2.gz JQFPPZXBBVHZAG-LHUBUQBQSA-N 2 0 344.421 3.331 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3csc(C(F)(F)F)c3)C2)CC1 ZINC000623416088 460536750 /nfs/dbraw/zinc/53/67/50/460536750.db2.gz IHHBZWZWLRWWNN-ZDUSSCGKSA-N 2 0 347.450 3.025 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cc2c1 ZINC000629536900 460799838 /nfs/dbraw/zinc/79/98/38/460799838.db2.gz HSJUMYZEGHJRLG-CTNGQTDRSA-N 2 0 339.483 3.262 20 0 EGADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000635486252 460805926 /nfs/dbraw/zinc/80/59/26/460805926.db2.gz FPBHCLYLCIMMRP-HXUWFJFHSA-N 2 0 347.547 3.118 20 0 EGADRP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(c2ccccc2)CC1 ZINC000629557826 460807710 /nfs/dbraw/zinc/80/77/10/460807710.db2.gz YSHIWCBLEDNEEC-OMYXNUHHSA-N 2 0 328.500 3.292 20 0 EGADRP c1nc2c(s1)CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000624011456 460820488 /nfs/dbraw/zinc/82/04/88/460820488.db2.gz ANNSWUVTDYRYGH-KRWDZBQOSA-N 2 0 342.512 3.417 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)C2CC[NH+](C)CC2)cc1 ZINC000627619386 460862699 /nfs/dbraw/zinc/86/26/99/460862699.db2.gz FQYVRRROGJTPIO-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000624121434 460871156 /nfs/dbraw/zinc/87/11/56/460871156.db2.gz WIPHSOGQTXSYQE-OAHLLOKOSA-N 2 0 337.458 3.255 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000629705968 460878897 /nfs/dbraw/zinc/87/88/97/460878897.db2.gz QTWJZQAJNYGLFP-UHFFFAOYSA-N 2 0 331.485 3.176 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183145 461036187 /nfs/dbraw/zinc/03/61/87/461036187.db2.gz RVWVCTPRTXVWNY-UKRRQHHQSA-N 2 0 325.447 3.335 20 0 EGADRP COc1cc(Cl)c(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC ZINC000637906621 461117043 /nfs/dbraw/zinc/11/70/43/461117043.db2.gz BPEDFMIOJLBGNE-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH+]1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000637905261 461118525 /nfs/dbraw/zinc/11/85/25/461118525.db2.gz JNUZXCDWYMEPKE-LJQANCHMSA-N 2 0 344.499 3.499 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2ccncc2s1 ZINC000668155190 461140861 /nfs/dbraw/zinc/14/08/61/461140861.db2.gz HFORGGPRHVMPLT-UHFFFAOYSA-N 2 0 334.533 3.002 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000652348215 461141362 /nfs/dbraw/zinc/14/13/62/461141362.db2.gz XRSQIZQUJJOQAT-IYOUNJFTSA-N 2 0 340.870 3.240 20 0 EGADRP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000652349367 461141514 /nfs/dbraw/zinc/14/15/14/461141514.db2.gz MDPCIFWWPKFVMG-KKUMJFAQSA-N 2 0 337.533 3.159 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000652349167 461142779 /nfs/dbraw/zinc/14/27/79/461142779.db2.gz DAKAITUSFFSBJT-YQVWRLOYSA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(-c4cccs4)on3)C2)C1 ZINC000652346585 461143021 /nfs/dbraw/zinc/14/30/21/461143021.db2.gz ASUOLZBMBCJNBH-LZWOXQAQSA-N 2 0 347.484 3.121 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(-c4cccs4)on3)C2)C1 ZINC000652346586 461143434 /nfs/dbraw/zinc/14/34/34/461143434.db2.gz ASUOLZBMBCJNBH-SQWLQELKSA-N 2 0 347.484 3.121 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(C[NH+](C)C2CCCCC2)nn1 ZINC000641169404 461161804 /nfs/dbraw/zinc/16/18/04/461161804.db2.gz MBNMPUZKCNKQTI-IBGZPJMESA-N 2 0 333.524 3.306 20 0 EGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000662291431 461167171 /nfs/dbraw/zinc/16/71/71/461167171.db2.gz SESYFSGZYIQHDT-MRXNPFEDSA-N 2 0 349.906 3.380 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])on2)cc1 ZINC000662287108 461167945 /nfs/dbraw/zinc/16/79/45/461167945.db2.gz WBPYYPSNCQCIMV-KUHUBIRLSA-N 2 0 329.444 3.300 20 0 EGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1cccc(Cl)c1 ZINC000662290762 461168212 /nfs/dbraw/zinc/16/82/12/461168212.db2.gz JQQLIGWCHWHCFP-INIZCTEOSA-N 2 0 349.906 3.380 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296208 461175705 /nfs/dbraw/zinc/17/57/05/461175705.db2.gz XUEIDWVSQUOYSD-MRXNPFEDSA-N 2 0 349.906 3.299 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@@H]1CCC[NH3+] ZINC000662313391 461186410 /nfs/dbraw/zinc/18/64/10/461186410.db2.gz KYLGCFGOCHUGAX-DNVCBOLYSA-N 2 0 330.451 3.351 20 0 EGADRP Fc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000662327990 461194417 /nfs/dbraw/zinc/19/44/17/461194417.db2.gz NGPMKWDVBKCUNR-UHFFFAOYSA-N 2 0 342.462 3.395 20 0 EGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](c3nccn3C)C3CC3)C2)[nH+]1 ZINC000638008341 461194424 /nfs/dbraw/zinc/19/44/24/461194424.db2.gz YYIKUGLOJVPXAG-YJBOKZPZSA-N 2 0 325.460 3.009 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000659247460 461247458 /nfs/dbraw/zinc/24/74/58/461247458.db2.gz XQWVNYBGNROGBQ-OZOXKJRCSA-N 2 0 349.478 3.173 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2OCCCCO)C[C@@H]1n1ccnc1 ZINC000638170076 461284306 /nfs/dbraw/zinc/28/43/06/461284306.db2.gz CLSZWDUIGIPHRN-MJGOQNOKSA-N 2 0 343.471 3.118 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)cc1 ZINC000638173918 461286302 /nfs/dbraw/zinc/28/63/02/461286302.db2.gz HHERURVYBAXMJR-SFHVURJKSA-N 2 0 343.858 3.402 20 0 EGADRP Cn1cc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000668584496 461341837 /nfs/dbraw/zinc/34/18/37/461341837.db2.gz DEVHVCAXICXDGU-UHFFFAOYSA-N 2 0 334.467 3.374 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662674705 461343191 /nfs/dbraw/zinc/34/31/91/461343191.db2.gz FTRWLJXLSWTBOU-LPHOPBHVSA-N 2 0 343.515 3.065 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nsc3ccccc32)C1 ZINC000641818383 461387956 /nfs/dbraw/zinc/38/79/56/461387956.db2.gz DBNIOLOLFBOTPU-COXVUDFISA-N 2 0 331.485 3.157 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@](C)(OC)C3CC3)CC2)cc1 ZINC000638454609 461436448 /nfs/dbraw/zinc/43/64/48/461436448.db2.gz YJYJNRJNJCHPSZ-OAQYLSRUSA-N 2 0 346.515 3.312 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000655803962 461463717 /nfs/dbraw/zinc/46/37/17/461463717.db2.gz JXJMDRKBDGHNNV-XOKHGSTOSA-N 2 0 332.879 3.093 20 0 EGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@H]2CCc3ccccc32)CC1 ZINC000659891570 461485799 /nfs/dbraw/zinc/48/57/99/461485799.db2.gz OTQQOAQPVWUYGN-YLJYHZDGSA-N 2 0 330.516 3.131 20 0 EGADRP C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000655838005 461489176 /nfs/dbraw/zinc/48/91/76/461489176.db2.gz YSNWBBCRDKRIRF-IRXDYDNUSA-N 2 0 327.472 3.304 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849025 461496733 /nfs/dbraw/zinc/49/67/33/461496733.db2.gz OQZBUSVAKSYBAT-IOMROCGXSA-N 2 0 345.531 3.295 20 0 EGADRP c1ccc2c(c1)OC[C@@H](C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)O2 ZINC000642527474 461522639 /nfs/dbraw/zinc/52/26/39/461522639.db2.gz GSAQAVJKQYOPKR-LJQANCHMSA-N 2 0 344.499 3.414 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccc(C(C)C)cc2)CC1 ZINC000663260405 461533539 /nfs/dbraw/zinc/53/35/39/461533539.db2.gz YSUHXYRSYBFYIK-UHFFFAOYSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653168780 461533882 /nfs/dbraw/zinc/53/38/82/461533882.db2.gz QFDUKKDHEQPDLD-YTQUADARSA-N 2 0 335.536 3.007 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H](C)C[NH+]2CCCCC2)o1 ZINC000647172912 461543347 /nfs/dbraw/zinc/54/33/47/461543347.db2.gz OWXYQWPIGVHWHJ-HNNXBMFYSA-N 2 0 330.476 3.200 20 0 EGADRP COc1ccccc1C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000638726500 461550875 /nfs/dbraw/zinc/55/08/75/461550875.db2.gz TZTXXVUVPMUBMX-IBGZPJMESA-N 2 0 348.531 3.087 20 0 EGADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000663347075 461578120 /nfs/dbraw/zinc/57/81/20/461578120.db2.gz ZCINKIYLZBWBTN-QIJUGHKUSA-N 2 0 341.543 3.361 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC(=O)N(C)c2ccccc2)c1 ZINC000663357318 461585975 /nfs/dbraw/zinc/58/59/75/461585975.db2.gz JQLDEKHTUOQGIZ-UHFFFAOYSA-N 2 0 339.483 3.281 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]CCCc2cnn(C)c2)CC1 ZINC000638853398 461619333 /nfs/dbraw/zinc/61/93/33/461619333.db2.gz FIFPBVYVOWDIFE-UHFFFAOYSA-N 2 0 340.515 3.374 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638862210 461625424 /nfs/dbraw/zinc/62/54/24/461625424.db2.gz NXHZTXDLTRJVBX-PKOBYXMFSA-N 2 0 343.515 3.190 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CSc3ccc(Br)cc32)C1 ZINC000656198806 461643699 /nfs/dbraw/zinc/64/36/99/461643699.db2.gz WTGYTDSECDCEFE-NTZNESFSSA-N 2 0 327.291 3.455 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663466954 461654806 /nfs/dbraw/zinc/65/48/06/461654806.db2.gz CBZODALILONSBD-DOTOQJQBSA-N 2 0 332.488 3.476 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663470541 461660599 /nfs/dbraw/zinc/66/05/99/461660599.db2.gz VAWCITSZZQBOGT-PKOBYXMFSA-N 2 0 343.515 3.424 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000663469601 461660698 /nfs/dbraw/zinc/66/06/98/461660698.db2.gz QYKDINSKPNDGQS-AEFFLSMTSA-N 2 0 339.487 3.040 20 0 EGADRP COC[C@@H](C[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)OC ZINC000638973281 461663291 /nfs/dbraw/zinc/66/32/91/461663291.db2.gz YXWORIWQCWRBJI-CTNGQTDRSA-N 2 0 348.531 3.176 20 0 EGADRP C[NH2+]C[C@@H](C)NCc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000663511225 461680863 /nfs/dbraw/zinc/68/08/63/461680863.db2.gz WFZVFDOEBIWPIQ-CQSZACIVSA-N 2 0 330.476 3.011 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000643327600 461687624 /nfs/dbraw/zinc/68/76/24/461687624.db2.gz BLJUKNLGIVRVKO-UHFFFAOYSA-N 2 0 329.532 3.460 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000643346721 461698337 /nfs/dbraw/zinc/69/83/37/461698337.db2.gz SKFWQFIMTZIFHD-CQSZACIVSA-N 2 0 342.886 3.235 20 0 EGADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000643453514 461730551 /nfs/dbraw/zinc/73/05/51/461730551.db2.gz IXJUYGYJVARMRZ-UHOSZYNNSA-N 2 0 327.472 3.229 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462815 461735185 /nfs/dbraw/zinc/73/51/85/461735185.db2.gz LQQAWQHASLENKD-YJLNNSPDSA-N 2 0 345.437 3.092 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CCCC[NH2+]4)[C@H]3C2)cc1 ZINC000643501649 461746680 /nfs/dbraw/zinc/74/66/80/461746680.db2.gz NCLYCIJPJNEXCO-WOZUAGRISA-N 2 0 327.516 3.019 20 0 EGADRP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000643523508 461753116 /nfs/dbraw/zinc/75/31/16/461753116.db2.gz ZGFXNXIVBPWJSG-UHFFFAOYSA-N 2 0 347.462 3.212 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H](C)[NH3+] ZINC000643528181 461754485 /nfs/dbraw/zinc/75/44/85/461754485.db2.gz FETGDYWZCWWXOG-DTWKUNHWSA-N 2 0 337.773 3.013 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534668 461754685 /nfs/dbraw/zinc/75/46/85/461754685.db2.gz ZRNKEZSRXUWNHK-CABCVRRESA-N 2 0 339.252 3.307 20 0 EGADRP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647542979 461755906 /nfs/dbraw/zinc/75/59/06/461755906.db2.gz FNODBJNBGBAGOU-ROUUACIJSA-N 2 0 342.462 3.223 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543309 461755935 /nfs/dbraw/zinc/75/59/35/461755935.db2.gz KXIKVPVFYDJJGL-CVEARBPZSA-N 2 0 342.462 3.427 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535544 461756265 /nfs/dbraw/zinc/75/62/65/461756265.db2.gz GEKPJTOAZLIVQL-JQWIXIFHSA-N 2 0 327.291 3.230 20 0 EGADRP COc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCCC2)c1 ZINC000647548593 461761355 /nfs/dbraw/zinc/76/13/55/461761355.db2.gz JVYMOXYCCRYUGF-ZIFCJYIRSA-N 2 0 328.500 3.485 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC000669692207 461768279 /nfs/dbraw/zinc/76/82/79/461768279.db2.gz GYMDLUZWMLMGEX-CVEARBPZSA-N 2 0 335.458 3.065 20 0 EGADRP Cn1ccnc1[C@@H](C1CC1)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000639170385 461777945 /nfs/dbraw/zinc/77/79/45/461777945.db2.gz BHJSIMDJECRITQ-GOSISDBHSA-N 2 0 330.451 3.074 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cnc5ccccc5n4)C[C@H]3C2)cc1 ZINC000660446884 461783862 /nfs/dbraw/zinc/78/38/62/461783862.db2.gz IHJQPQLTBGXKIO-KDURUIRLSA-N 2 0 344.462 3.194 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C(C)(F)F)cc2)CC1 ZINC000639208388 461804269 /nfs/dbraw/zinc/80/42/69/461804269.db2.gz ZUHNTPFVOWFMJZ-UHFFFAOYSA-N 2 0 326.431 3.123 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786609 461834564 /nfs/dbraw/zinc/83/45/64/461834564.db2.gz UEWLMPHZLHNRRD-RWQQGDIJSA-N 2 0 331.479 3.081 20 0 EGADRP Clc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCOCC2)c1 ZINC000647786720 461834830 /nfs/dbraw/zinc/83/48/30/461834830.db2.gz XIWUTCCLODKROD-JTDSTZFVSA-N 2 0 348.918 3.366 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647789582 461835443 /nfs/dbraw/zinc/83/54/43/461835443.db2.gz HNIXATZITOBOFK-CMCXCUNFSA-N 3 0 341.543 3.396 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)n1 ZINC000647788325 461835691 /nfs/dbraw/zinc/83/56/91/461835691.db2.gz HXWJBSFQSGPMQW-SLFFLAALSA-N 2 0 338.499 3.009 20 0 EGADRP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796930 461839440 /nfs/dbraw/zinc/83/94/40/461839440.db2.gz RIGDBOJKLHGNEC-CKYFFXLPSA-N 2 0 334.332 3.461 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000647883343 461869819 /nfs/dbraw/zinc/86/98/19/461869819.db2.gz GLXFMFPFCZAPDF-HXUWFJFHSA-N 2 0 343.515 3.051 20 0 EGADRP [NH3+]C[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccc2ccccc2c1 ZINC000656785350 461895862 /nfs/dbraw/zinc/89/58/62/461895862.db2.gz GUVBMMAWXQMTED-JOCHJYFZSA-N 2 0 331.463 3.275 20 0 EGADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc2n1 ZINC000650707308 461899327 /nfs/dbraw/zinc/89/93/27/461899327.db2.gz CRLCOIWORFIVNU-IRFCIJBXSA-N 2 0 339.483 3.262 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000650706301 461900004 /nfs/dbraw/zinc/90/00/04/461900004.db2.gz ICYJZOKORRPALS-VBQJREDUSA-N 2 0 326.843 3.197 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650707544 461901242 /nfs/dbraw/zinc/90/12/42/461901242.db2.gz IJJZGJWOQMJVRB-MJKGWSOKSA-N 2 0 332.488 3.017 20 0 EGADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000666995129 461902698 /nfs/dbraw/zinc/90/26/98/461902698.db2.gz DQHVRSWCKMOHAD-HOJAQTOUSA-N 2 0 327.516 3.304 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000666995718 461903097 /nfs/dbraw/zinc/90/30/97/461903097.db2.gz XPYUHTVWSZPSEM-RDJZCZTQSA-N 2 0 329.488 3.285 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654814 461904570 /nfs/dbraw/zinc/90/45/70/461904570.db2.gz HKHWOQDTBCDEQX-IBGZPJMESA-N 2 0 329.419 3.398 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654854 461905642 /nfs/dbraw/zinc/90/56/42/461905642.db2.gz IJROGBNYFTVERJ-KDOFPFPSSA-N 2 0 335.879 3.085 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660655149 461906338 /nfs/dbraw/zinc/90/63/38/461906338.db2.gz KOIODGXQJDNFEW-KXBFYZLASA-N 2 0 347.528 3.153 20 0 EGADRP Cc1nsc(C)c1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000647962223 461910176 /nfs/dbraw/zinc/91/01/76/461910176.db2.gz SDXXZDJLSOVDKQ-KBPBESRZSA-N 2 0 337.533 3.081 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650721984 461913388 /nfs/dbraw/zinc/91/33/88/461913388.db2.gz HYKNLEZOXMTYOE-DFQSSKMNSA-N 2 0 332.488 3.335 20 0 EGADRP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2n1 ZINC000650723352 461914378 /nfs/dbraw/zinc/91/43/78/461914378.db2.gz MGWDQDKXGWKJIE-TYPHKJRUSA-N 2 0 339.483 3.404 20 0 EGADRP CC(C)(C)c1nc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722786 461914969 /nfs/dbraw/zinc/91/49/69/461914969.db2.gz BGOYDRAWLVJQQA-FVQBIDKESA-N 2 0 337.533 3.301 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000650723996 461915762 /nfs/dbraw/zinc/91/57/62/461915762.db2.gz WQQLAFZXJMIKSS-NSISKUIASA-N 2 0 325.456 3.096 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000650723642 461915882 /nfs/dbraw/zinc/91/58/82/461915882.db2.gz RHQBFKAQCMJNHP-PVAVHDDUSA-N 2 0 326.843 3.340 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000650723900 461916626 /nfs/dbraw/zinc/91/66/26/461916626.db2.gz VRCNEKOUQPZEDR-NEWSRXKRSA-N 2 0 341.455 3.202 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975329 461916672 /nfs/dbraw/zinc/91/66/72/461916672.db2.gz WIFKUCHHGXQMFZ-HZPDHXFCSA-N 2 0 349.906 3.299 20 0 EGADRP [NH3+]C1(CNCc2cscc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000667057064 461931213 /nfs/dbraw/zinc/93/12/13/461931213.db2.gz GOODNQACGJAWFD-UHFFFAOYSA-N 2 0 349.931 3.485 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650751850 461932919 /nfs/dbraw/zinc/93/29/19/461932919.db2.gz CLPVYZNLZGQQHU-IIBYNOLFSA-N 2 0 341.474 3.285 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650752227 461933340 /nfs/dbraw/zinc/93/33/40/461933340.db2.gz MGMQOADBJNJPLH-ZDUSSCGKSA-N 2 0 332.419 3.461 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CN1Cc1ccccc1 ZINC000650753750 461935409 /nfs/dbraw/zinc/93/54/09/461935409.db2.gz UZXILFNVCQJJLW-BEFAXECRSA-N 2 0 327.447 3.037 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000650761806 461940579 /nfs/dbraw/zinc/94/05/79/461940579.db2.gz KXODQXDGNVLUDQ-FSSWDIPSSA-N 3 0 341.543 3.409 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Cl ZINC000650763984 461942255 /nfs/dbraw/zinc/94/22/55/461942255.db2.gz NOBBBMNWRAPWDR-CQSZACIVSA-N 2 0 337.895 3.345 20 0 EGADRP O=C(Nc1cccc(Oc2ccncc2)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667099565 461949463 /nfs/dbraw/zinc/94/94/63/461949463.db2.gz BDSAUWBQYNGQOE-KSSFIOAISA-N 2 0 338.411 3.090 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1ccc(F)c(C(F)(F)F)c1)CCO2 ZINC000648071489 461968324 /nfs/dbraw/zinc/96/83/24/461968324.db2.gz FHTBGKVJMRVTHD-UHFFFAOYSA-N 2 0 346.368 3.141 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657293933 462023235 /nfs/dbraw/zinc/02/32/35/462023235.db2.gz XMYPLNAMQGYKPD-FXAWDEMLSA-N 2 0 332.488 3.208 20 0 EGADRP CCc1cccc2cc(C[NH2+]C[C@@H](C)CN3CC[NH+](CC)CC3)oc21 ZINC000657347252 462061703 /nfs/dbraw/zinc/06/17/03/462061703.db2.gz PMJGGIZTNPWLRO-QGZVFWFLSA-N 2 0 343.515 3.358 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000657367111 462076026 /nfs/dbraw/zinc/07/60/26/462076026.db2.gz LWOSYGBXRYVAON-STQMWFEESA-N 2 0 330.394 3.083 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000657367108 462076391 /nfs/dbraw/zinc/07/63/91/462076391.db2.gz LWOSYGBXRYVAON-BETUJISGSA-N 2 0 330.394 3.083 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc3n2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414568 462107845 /nfs/dbraw/zinc/10/78/45/462107845.db2.gz BSUWQIZXWVSUQN-IEBWSBKVSA-N 2 0 338.499 3.220 20 0 EGADRP CCOc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000657415959 462109478 /nfs/dbraw/zinc/10/94/78/462109478.db2.gz IOKNJTHTFCJBEI-UHFFFAOYSA-N 2 0 340.471 3.153 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)CCO1 ZINC000648425877 462114768 /nfs/dbraw/zinc/11/47/68/462114768.db2.gz URHKEBLXFVATAX-RBUKOAKNSA-N 2 0 334.504 3.454 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000648453589 462126301 /nfs/dbraw/zinc/12/63/01/462126301.db2.gz PAOFHCQLUAIXSF-OALUTQOASA-N 2 0 332.488 3.208 20 0 EGADRP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCC1 ZINC000651228809 462145994 /nfs/dbraw/zinc/14/59/94/462145994.db2.gz DIQDHCMDVXHRRE-XUVXKRRUSA-N 2 0 328.500 3.324 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000645085872 462173692 /nfs/dbraw/zinc/17/36/92/462173692.db2.gz PRXSDUMLERYVPU-QGZVFWFLSA-N 2 0 330.520 3.139 20 0 EGADRP Fc1cc(F)cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612949 462203719 /nfs/dbraw/zinc/20/37/19/462203719.db2.gz GNAPNJDSNOIXMI-UHFFFAOYSA-N 2 0 331.410 3.362 20 0 EGADRP C[NH+](C)CCOc1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000657675449 462225598 /nfs/dbraw/zinc/22/55/98/462225598.db2.gz VGYPYPBQTMHHFM-LJQANCHMSA-N 2 0 345.531 3.124 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731055 462236054 /nfs/dbraw/zinc/23/60/54/462236054.db2.gz LDKQCIKXKGWCHL-GJZGRUSLSA-N 2 0 332.492 3.023 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC000657813731 462279184 /nfs/dbraw/zinc/27/91/84/462279184.db2.gz YRBRIQVWKDLQJL-XMSQKQJNSA-N 2 0 341.543 3.361 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657836988 462289287 /nfs/dbraw/zinc/28/92/87/462289287.db2.gz WOAVJIGWBRFFBK-OAHLLOKOSA-N 2 0 340.462 3.088 20 0 EGADRP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000657885277 462306957 /nfs/dbraw/zinc/30/69/57/462306957.db2.gz DBSQGXVDWKHTPH-QZTJIDSGSA-N 2 0 332.532 3.423 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657905723 462313459 /nfs/dbraw/zinc/31/34/59/462313459.db2.gz LYCOVUBIWPUFCV-GOSISDBHSA-N 2 0 344.543 3.321 20 0 EGADRP OCCN1CCC([NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657942941 462324632 /nfs/dbraw/zinc/32/46/32/462324632.db2.gz GHYUXILKBWIBDT-HKUYNNGSSA-N 2 0 336.907 3.413 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC000657975777 462334516 /nfs/dbraw/zinc/33/45/16/462334516.db2.gz GAUVNXFEVDDCQM-OALUTQOASA-N 2 0 343.559 3.112 20 0 EGADRP CC(C)c1[nH+]c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c2ccccn21 ZINC000651808516 462343196 /nfs/dbraw/zinc/34/31/96/462343196.db2.gz UJJUMXKGPZHORQ-KRWDZBQOSA-N 2 0 344.503 3.000 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCC1 ZINC000658007415 462345624 /nfs/dbraw/zinc/34/56/24/462345624.db2.gz RGVKLUIDIVVKGN-INIZCTEOSA-N 2 0 332.488 3.207 20 0 EGADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069769 462367919 /nfs/dbraw/zinc/36/79/19/462367919.db2.gz RHNPHJZLMKGTAL-HXUWFJFHSA-N 2 0 332.463 3.294 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000645671107 462390954 /nfs/dbraw/zinc/39/09/54/462390954.db2.gz ABLVYCYSMJSFGB-IBGZPJMESA-N 2 0 343.515 3.065 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@](C)(COCc2ccccc2)OC)CC1 ZINC000658132258 462397419 /nfs/dbraw/zinc/39/74/19/462397419.db2.gz KAICXZALAVEFCO-HXUWFJFHSA-N 2 0 334.504 3.072 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000658166333 462415607 /nfs/dbraw/zinc/41/56/07/462415607.db2.gz NTHIISKKOODILD-HXUWFJFHSA-N 2 0 331.504 3.088 20 0 EGADRP CC(C)(C)OC1CC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658167254 462416414 /nfs/dbraw/zinc/41/64/14/462416414.db2.gz QZLGEZGWCRDLAP-UHFFFAOYSA-N 2 0 331.504 3.229 20 0 EGADRP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532043 462431002 /nfs/dbraw/zinc/43/10/02/462431002.db2.gz UFXHLVRQFLAYPX-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP CCC[N@@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658286772 462455598 /nfs/dbraw/zinc/45/55/98/462455598.db2.gz UZEFZGCDPDOQGO-BURNTYAHSA-N 2 0 327.516 3.256 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)[C@H](C)C1 ZINC000658350241 462485875 /nfs/dbraw/zinc/48/58/75/462485875.db2.gz XCRXVQSWQJECPG-UIFIKXQLSA-N 2 0 346.515 3.202 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354428 462486817 /nfs/dbraw/zinc/48/68/17/462486817.db2.gz CRWAHNSIRVVUPZ-OAHLLOKOSA-N 2 0 347.478 3.254 20 0 EGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358010 462489621 /nfs/dbraw/zinc/48/96/21/462489621.db2.gz XGWZEDVMMURRQN-OAQYLSRUSA-N 2 0 348.506 3.485 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358883 462489902 /nfs/dbraw/zinc/48/99/02/462489902.db2.gz ZTZCIWHIZQNLJH-INIZCTEOSA-N 2 0 344.499 3.448 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000187120398 533787199 /nfs/dbraw/zinc/78/71/99/533787199.db2.gz WGAMKIIESIGXSB-HNNXBMFYSA-N 2 0 334.479 3.477 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000155059348 533840730 /nfs/dbraw/zinc/84/07/30/533840730.db2.gz UWBFLFJBNNMUOQ-RYUDHWBXSA-N 2 0 348.293 3.419 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191523232 527718876 /nfs/dbraw/zinc/71/88/76/527718876.db2.gz YDAHXWXCZXKXFZ-DOTOQJQBSA-N 2 0 338.517 3.179 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000174628823 527802390 /nfs/dbraw/zinc/80/23/90/527802390.db2.gz MRJXDMLBHGRBJC-CZUORRHYSA-N 2 0 330.394 3.448 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000131274623 527858764 /nfs/dbraw/zinc/85/87/64/527858764.db2.gz XMIXINMWPJWKNA-VQTJNVASSA-N 2 0 343.515 3.156 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000177825460 528226345 /nfs/dbraw/zinc/22/63/45/528226345.db2.gz GNQZMNDRNFFUOV-FQEVSTJZSA-N 2 0 338.499 3.464 20 0 EGADRP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155036983 528328147 /nfs/dbraw/zinc/32/81/47/528328147.db2.gz BGVYJJMKSYZQGY-DLBZAZTESA-N 2 0 335.561 3.474 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000132408989 528465384 /nfs/dbraw/zinc/46/53/84/528465384.db2.gz MRDCYJPHUXLXPC-UYAOXDASSA-N 2 0 331.548 3.214 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000191456775 529041001 /nfs/dbraw/zinc/04/10/01/529041001.db2.gz HSOYSGRWSQGRMD-FQEVSTJZSA-N 2 0 333.495 3.379 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000191455009 529042028 /nfs/dbraw/zinc/04/20/28/529042028.db2.gz RGWJDRMPVRLLLH-UHFFFAOYSA-N 2 0 333.495 3.206 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000154314978 529144932 /nfs/dbraw/zinc/14/49/32/529144932.db2.gz RLQGPCPAHKIVDK-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccccn2)CC1 ZINC000158670307 529149731 /nfs/dbraw/zinc/14/97/31/529149731.db2.gz NVEQVGKKBDUGOF-GOSISDBHSA-N 2 0 338.499 3.070 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000172768901 535146849 /nfs/dbraw/zinc/14/68/49/535146849.db2.gz UPPNAGIUSJGQCB-QGZVFWFLSA-N 2 0 345.531 3.352 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000263653039 535501583 /nfs/dbraw/zinc/50/15/83/535501583.db2.gz FATHMBWASTUZHX-UHFFFAOYSA-N 2 0 333.520 3.380 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000236885466 535554810 /nfs/dbraw/zinc/55/48/10/535554810.db2.gz NVMURWHIYNIYOL-UHFFFAOYSA-N 2 0 347.503 3.126 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1 ZINC000338126386 535599677 /nfs/dbraw/zinc/59/96/77/535599677.db2.gz APKWJLVQVYLGOJ-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000263641717 535600604 /nfs/dbraw/zinc/60/06/04/535600604.db2.gz AQDXJUDDDLPTAF-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000338152963 535601983 /nfs/dbraw/zinc/60/19/83/535601983.db2.gz ZYBNTZCLEKDLLO-ZWKOTPCHSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CCC2CCCCC2)cc1 ZINC000361593824 535890055 /nfs/dbraw/zinc/89/00/55/535890055.db2.gz JPZMBMMYGYTCHR-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1(C)C ZINC000344698242 536802620 /nfs/dbraw/zinc/80/26/20/536802620.db2.gz NHTAHNWKXZXVPZ-UXHICEINSA-N 2 0 345.531 3.120 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(N(C)C)nc3)C2)CC1 ZINC000120624337 546716387 /nfs/dbraw/zinc/71/63/87/546716387.db2.gz CMBUSFKJQLLNJC-LJQANCHMSA-N 2 0 330.520 3.092 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121916309 546730505 /nfs/dbraw/zinc/73/05/05/546730505.db2.gz GNOHYXWITNSWRI-GJZGRUSLSA-N 2 0 329.488 3.416 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000123579046 546741101 /nfs/dbraw/zinc/74/11/01/546741101.db2.gz MQHGVIVFOJXBCX-QGZVFWFLSA-N 2 0 326.488 3.309 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000127206054 546767303 /nfs/dbraw/zinc/76/73/03/546767303.db2.gz HTYTZQPVWWRSCI-UYAOXDASSA-N 2 0 343.515 3.014 20 0 EGADRP C[N@H+](CCC1CCOCC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000129697132 546790602 /nfs/dbraw/zinc/79/06/02/546790602.db2.gz JYGNAZMKFJECOY-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C3CC[NH+](C)CC3)ccc2NC1=O ZINC000155500514 546902987 /nfs/dbraw/zinc/90/29/87/546902987.db2.gz NWMBJQIBJWFOPH-IYOUNJFTSA-N 2 0 345.487 3.177 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000158005468 546924888 /nfs/dbraw/zinc/92/48/88/546924888.db2.gz QYVHWLMGYVJVNX-UHFFFAOYSA-N 2 0 346.906 3.005 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166350338 546987070 /nfs/dbraw/zinc/98/70/70/546987070.db2.gz XKDOZPCVGDVOSD-TZIWHRDSSA-N 2 0 338.499 3.330 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000166525248 546990127 /nfs/dbraw/zinc/99/01/27/546990127.db2.gz FSUQBSSYWZWBBP-DLBZAZTESA-N 2 0 332.488 3.198 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000179678861 547048888 /nfs/dbraw/zinc/04/88/88/547048888.db2.gz KSWRJYVZGFNRHD-UHFFFAOYSA-N 2 0 349.519 3.124 20 0 EGADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000180460962 547056068 /nfs/dbraw/zinc/05/60/68/547056068.db2.gz KUKMUIPAOBPUTQ-ZIAGYGMSSA-N 2 0 345.466 3.021 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000248445665 547299170 /nfs/dbraw/zinc/29/91/70/547299170.db2.gz CESUCOOTVHRDNV-HSALFYBXSA-N 2 0 328.500 3.039 20 0 EGADRP Cc1cccc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000280212849 547371683 /nfs/dbraw/zinc/37/16/83/547371683.db2.gz UGVIMFPZMPHORX-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000327305763 547478843 /nfs/dbraw/zinc/47/88/43/547478843.db2.gz OJYBBXWVZZFTHA-GOSISDBHSA-N 2 0 347.547 3.398 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602773 /nfs/dbraw/zinc/60/27/73/547602773.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 2 0 329.532 3.348 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000390420052 547826240 /nfs/dbraw/zinc/82/62/40/547826240.db2.gz PRBUFTJYOCHKHT-NJDAHSKKSA-N 2 0 338.499 3.332 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398111920 547837504 /nfs/dbraw/zinc/83/75/04/547837504.db2.gz DJCSHUJWNMECBO-YSIASYRMSA-N 2 0 345.531 3.024 20 0 EGADRP CC1(C[NH2+]Cc2ccc(Br)c3cccnc23)CC[NH2+]CC1 ZINC000414899686 547860832 /nfs/dbraw/zinc/86/08/32/547860832.db2.gz HJWLLXXFIRHWQN-UHFFFAOYSA-N 2 0 348.288 3.477 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000670268607 548194021 /nfs/dbraw/zinc/19/40/21/548194021.db2.gz UEXWSRBIRRDZOO-QGZVFWFLSA-N 2 0 345.531 3.284 20 0 EGADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671302445 548275553 /nfs/dbraw/zinc/27/55/53/548275553.db2.gz XDTREJDMSKEZBL-AWEZNQCLSA-N 2 0 328.460 3.042 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)o1 ZINC000673942478 548658675 /nfs/dbraw/zinc/65/86/75/548658675.db2.gz WJDASFDWYAGMLD-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP Fc1ccc2c(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000675635335 548947705 /nfs/dbraw/zinc/94/77/05/548947705.db2.gz FCTVOHIVDARDRG-PKOBYXMFSA-N 2 0 329.419 3.429 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)cc1 ZINC000675876629 548995896 /nfs/dbraw/zinc/99/58/96/548995896.db2.gz YGDJCTOIJZEJOG-IFMALSPDSA-N 2 0 343.559 3.320 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(CO)o2)C[N@@H+]1Cc1ccccc1 ZINC000677129217 549214650 /nfs/dbraw/zinc/21/46/50/549214650.db2.gz OEXNWTRUTCDFDN-WMZOPIPTSA-N 2 0 328.456 3.162 20 0 EGADRP COc1ccc(-c2cc(CN(C)CCC[NH+]3CCCC3)on2)cc1 ZINC000677696531 549311765 /nfs/dbraw/zinc/31/17/65/549311765.db2.gz ISPLZXNBYWGZOL-UHFFFAOYSA-N 2 0 329.444 3.268 20 0 EGADRP C[C@@H]1[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1(C)C ZINC000678271151 549453036 /nfs/dbraw/zinc/45/30/36/549453036.db2.gz PDYXHZFRRYFWDC-KRWDZBQOSA-N 2 0 332.488 3.161 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000678281484 549458076 /nfs/dbraw/zinc/45/80/76/549458076.db2.gz XCMYQQVPZRTRHG-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000678281983 549459151 /nfs/dbraw/zinc/45/91/51/549459151.db2.gz KOVDDQAVDJOLLQ-OALUTQOASA-N 2 0 334.529 3.487 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678286380 549460264 /nfs/dbraw/zinc/46/02/64/549460264.db2.gz SOCZPKQHDYWQTF-LAUBAEHRSA-N 2 0 327.516 3.022 20 0 EGADRP CO[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000680004055 549804756 /nfs/dbraw/zinc/80/47/56/549804756.db2.gz WQKJSZJCDAYNMH-IBGZPJMESA-N 2 0 332.488 3.162 20 0 EGADRP CCc1cccc(Cl)c1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682730765 550137211 /nfs/dbraw/zinc/13/72/11/550137211.db2.gz OJLNDGIRHJJZHE-MRXNPFEDSA-N 2 0 335.923 3.161 20 0 EGADRP C[C@@H](CC[NH+]1CCN(c2cc[nH+]cc2)CC1)OCc1ccccc1 ZINC000682761866 550140392 /nfs/dbraw/zinc/14/03/92/550140392.db2.gz RTCWKIGFGFWOBV-SFHVURJKSA-N 2 0 325.456 3.199 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000683690198 550254338 /nfs/dbraw/zinc/25/43/38/550254338.db2.gz YSOCGBBVKRAFIM-WOJBJXKFSA-N 2 0 329.532 3.487 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000684955246 550387906 /nfs/dbraw/zinc/38/79/06/550387906.db2.gz JSUNWLVKRNWZML-SFHVURJKSA-N 2 0 325.456 3.189 20 0 EGADRP CC(C)c1ccc(CC[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457163 550419169 /nfs/dbraw/zinc/41/91/69/550419169.db2.gz HOKAIWTVZDXBKH-QFIPXVFZSA-N 2 0 343.559 3.453 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648166 550435990 /nfs/dbraw/zinc/43/59/90/550435990.db2.gz WKOWUHBWAJGHHD-ZMSDIMECSA-N 2 0 347.532 3.136 20 0 EGADRP C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C1CC[NH+](C)CC1 ZINC000685662767 550437326 /nfs/dbraw/zinc/43/73/26/550437326.db2.gz PZRDEZSCDCJVDJ-JXFKEZNVSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@H](COc1ccccc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000728782347 574770742 /nfs/dbraw/zinc/77/07/42/574770742.db2.gz KUTIJWNCFVJFJS-QGZVFWFLSA-N 2 0 328.456 3.184 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000729265973 574834807 /nfs/dbraw/zinc/83/48/07/574834807.db2.gz ODWINNDYGXONIV-MRXNPFEDSA-N 2 0 339.483 3.440 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729337601 574843672 /nfs/dbraw/zinc/84/36/72/574843672.db2.gz IIICSBZPQQYNLP-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP c1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1Cc1ccccc1 ZINC000678343047 576167408 /nfs/dbraw/zinc/16/74/08/576167408.db2.gz LTYMULCUNBSFFD-RTBURBONSA-N 2 0 331.463 3.341 20 0 EGADRP Cc1ccc(NC(=O)CCCC[NH+]2CCCC2)c(OCC[NH+](C)C)c1 ZINC000737979244 576277913 /nfs/dbraw/zinc/27/79/13/576277913.db2.gz JNPQANJIGPHORY-UHFFFAOYSA-N 2 0 347.503 3.140 20 0 EGADRP Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CC[NH+](C)C)CC3)C2=O)cc1 ZINC000743843506 576816740 /nfs/dbraw/zinc/81/67/40/576816740.db2.gz UMEKRKFRZRSCDT-HXUWFJFHSA-N 2 0 343.515 3.154 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000305892638 1297064656 /nfs/dbraw/zinc/06/46/56/1297064656.db2.gz FHPWFOGADCKQJQ-MRXNPFEDSA-N 2 0 341.540 3.342 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397936582 1297707280 /nfs/dbraw/zinc/70/72/80/1297707280.db2.gz ODUKZAZMOPFJBS-JKSUJKDBSA-N 2 0 339.524 3.142 20 0 EGADRP c1c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000687959445 1298121377 /nfs/dbraw/zinc/12/13/77/1298121377.db2.gz LTXBXKACMUOCJI-KRWDZBQOSA-N 2 0 342.508 3.433 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000693733552 1298150705 /nfs/dbraw/zinc/15/07/05/1298150705.db2.gz AKYSXEMJIJOQDU-BVJIBDCISA-N 2 0 341.543 3.406 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000695193340 1298157191 /nfs/dbraw/zinc/15/71/91/1298157191.db2.gz QWAZOQYJGNQSKU-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1F ZINC000057888600 1291866911 /nfs/dbraw/zinc/86/69/11/1291866911.db2.gz WHXVFHFQJBKVMP-FQEVSTJZSA-N 2 0 334.479 3.447 20 0 EGADRP COc1cc(C[NH2+]CCC[NH+](C)C)c(-c2ccccc2)cc1OC ZINC000067697394 1292169537 /nfs/dbraw/zinc/16/95/37/1292169537.db2.gz HHAVLIFCBNVICE-UHFFFAOYSA-N 2 0 328.456 3.412 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000069160235 1292232866 /nfs/dbraw/zinc/23/28/66/1292232866.db2.gz GKLLENLLNWGQQN-OAHLLOKOSA-N 2 0 330.394 3.449 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccco3)CC2)c1 ZINC000069674943 1292248196 /nfs/dbraw/zinc/24/81/96/1292248196.db2.gz VYLDEKXHZODHSO-UHFFFAOYSA-N 2 0 327.472 3.280 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1C ZINC000069785297 1292252905 /nfs/dbraw/zinc/25/29/05/1292252905.db2.gz FKUUKBLRONQSNH-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(C(=O)NC)cc2)cc1 ZINC000074230055 1292342139 /nfs/dbraw/zinc/34/21/39/1292342139.db2.gz WFMGJEUDTFGAOX-UHFFFAOYSA-N 2 0 339.483 3.178 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000075762958 1292409169 /nfs/dbraw/zinc/40/91/69/1292409169.db2.gz YLQWCIAEQVDMSK-QGZVFWFLSA-N 2 0 344.330 3.355 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000075762955 1292409414 /nfs/dbraw/zinc/40/94/14/1292409414.db2.gz GGXKAYPOXFZARR-QGZVFWFLSA-N 2 0 343.437 3.067 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000077506902 1292470022 /nfs/dbraw/zinc/47/00/22/1292470022.db2.gz SANCCTJQRPLPAN-SFHVURJKSA-N 2 0 345.531 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1cccs1 ZINC000830384009 1292715210 /nfs/dbraw/zinc/71/52/10/1292715210.db2.gz ZDIFYBSYVGMXIO-FUHWJXTLSA-N 2 0 343.496 3.020 20 0 EGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000831510786 1292874910 /nfs/dbraw/zinc/87/49/10/1292874910.db2.gz NDJLDZKRNUTEOZ-UHFFFAOYSA-N 2 0 346.519 3.065 20 0 EGADRP [NH3+]CCCCCCC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000831826381 1292923135 /nfs/dbraw/zinc/92/31/35/1292923135.db2.gz AFHWOPGBOGVEDO-LJQANCHMSA-N 2 0 331.504 3.239 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000105457176 1293036150 /nfs/dbraw/zinc/03/61/50/1293036150.db2.gz JWIRONOKFVTESE-MRXNPFEDSA-N 2 0 342.487 3.295 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000105442079 1293036299 /nfs/dbraw/zinc/03/62/99/1293036299.db2.gz GJAWKHTYVWGJMW-AWEZNQCLSA-N 2 0 344.330 3.357 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)N1CC[NH+](C)CC1 ZINC000105466883 1293038952 /nfs/dbraw/zinc/03/89/52/1293038952.db2.gz PDZCUWPGFDXHPV-INIZCTEOSA-N 2 0 329.513 3.141 20 0 EGADRP CCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)cn1 ZINC000112095926 1293117300 /nfs/dbraw/zinc/11/73/00/1293117300.db2.gz IQPPXKOEXTUZMB-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP CC1([NH+]2CCC2)CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000834784213 1293148088 /nfs/dbraw/zinc/14/80/88/1293148088.db2.gz ZYUOFGRHKXTCOP-BIXGBWIQSA-N 2 0 347.547 3.307 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000128251116 1293587089 /nfs/dbraw/zinc/58/70/89/1293587089.db2.gz BVDIFBBHRPMBFF-HRTMPFAESA-N 2 0 336.479 3.289 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000136605335 1293819902 /nfs/dbraw/zinc/81/99/02/1293819902.db2.gz DYEWGBRSWSQOOG-RTWAWAEBSA-N 2 0 339.483 3.092 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000153800155 1294029241 /nfs/dbraw/zinc/02/92/41/1294029241.db2.gz FNYGZXXUNLLQHL-OXQOHEQNSA-N 2 0 328.456 3.011 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000156615847 1294151004 /nfs/dbraw/zinc/15/10/04/1294151004.db2.gz GDKHLSQLBOMNFJ-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC000158734739 1294213781 /nfs/dbraw/zinc/21/37/81/1294213781.db2.gz ACVBKGSYVVPXAK-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000164587327 1294349903 /nfs/dbraw/zinc/34/99/03/1294349903.db2.gz XIUZMEUXIJKEEU-AHRSYUTCSA-N 2 0 343.515 3.195 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCO)cc1C[NH+]1CCCCC1 ZINC000183104646 1295099925 /nfs/dbraw/zinc/09/99/25/1295099925.db2.gz FATMLQXLRSHOSJ-DLBZAZTESA-N 2 0 334.504 3.493 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)ccc1OC ZINC000183580505 1295131885 /nfs/dbraw/zinc/13/18/85/1295131885.db2.gz UOGFMUDBDZBFON-JTDSTZFVSA-N 2 0 332.488 3.125 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(CO)CCC2)cc1C[NH+]1CCCCC1 ZINC000184531628 1295201374 /nfs/dbraw/zinc/20/13/74/1295201374.db2.gz JKBHXINRPOGCAD-KRWDZBQOSA-N 2 0 346.515 3.494 20 0 EGADRP C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190333988 1295584314 /nfs/dbraw/zinc/58/43/14/1295584314.db2.gz RNSZQWQOYKQFAJ-FUHWJXTLSA-N 2 0 336.520 3.162 20 0 EGADRP O=C1O[C@@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC12CCC2 ZINC000192125727 1295734767 /nfs/dbraw/zinc/73/47/67/1295734767.db2.gz KQUKYTJIFHFVSR-GOSISDBHSA-N 2 0 334.504 3.060 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[NH2+]CC3CC3)cc2)C1 ZINC000870865961 1296121236 /nfs/dbraw/zinc/12/12/36/1296121236.db2.gz IQZWBDMLGOFSIG-INIZCTEOSA-N 2 0 329.488 3.247 20 0 EGADRP [NH3+][C@H]1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000870875997 1296125841 /nfs/dbraw/zinc/12/58/41/1296125841.db2.gz SRNTYBPMZXGIHL-BGYRXZFFSA-N 2 0 343.515 3.196 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000236609658 1296192241 /nfs/dbraw/zinc/19/22/41/1296192241.db2.gz SKGLTIKZHNFKSX-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP CC(C)(c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[C@@H]([NH3+])c1ccccc1 ZINC000871796794 1296538598 /nfs/dbraw/zinc/53/85/98/1296538598.db2.gz LQSXLMCQSUDJAF-UYTSQGDYSA-N 2 0 326.444 3.045 20 0 EGADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261538175 1296594039 /nfs/dbraw/zinc/59/40/39/1296594039.db2.gz NLFBLYFONNBMLP-XSDIEEQYSA-N 2 0 327.516 3.161 20 0 EGADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000261701732 1296599789 /nfs/dbraw/zinc/59/97/89/1296599789.db2.gz OSGNUZFNPJSPNQ-MANSERQUSA-N 2 0 331.504 3.317 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OCC ZINC000261922235 1296607091 /nfs/dbraw/zinc/60/70/91/1296607091.db2.gz BSCBZYXCFVBTNH-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP CCOc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1OC(F)F ZINC000261998269 1296615525 /nfs/dbraw/zinc/61/55/25/1296615525.db2.gz LCGNJYADTRARSV-UHFFFAOYSA-N 2 0 340.414 3.262 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000872222753 1296825828 /nfs/dbraw/zinc/82/58/28/1296825828.db2.gz CSOKNVZOWGLLTA-UHFFFAOYSA-N 2 0 335.467 3.254 20 0 EGADRP CCCOc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000305138447 1296985692 /nfs/dbraw/zinc/98/56/92/1296985692.db2.gz LPHURFFABSQJHN-SFTDATJTSA-N 2 0 346.515 3.333 20 0 EGADRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000305344546 1297010061 /nfs/dbraw/zinc/01/00/61/1297010061.db2.gz XPHHNACDZGXEKH-DLBZAZTESA-N 2 0 341.540 3.484 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308387359 1297069514 /nfs/dbraw/zinc/06/95/14/1297069514.db2.gz FTDZCBPMJWSEKQ-VAMGGRTRSA-N 2 0 328.500 3.446 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000310820677 1297102288 /nfs/dbraw/zinc/10/22/88/1297102288.db2.gz GKHCJLPGFXVOQA-UHFFFAOYSA-N 2 0 347.503 3.143 20 0 EGADRP CCOC(=O)/C=C\C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310969251 1297104131 /nfs/dbraw/zinc/10/41/31/1297104131.db2.gz HUOLGUIUBUWBAQ-TWGQIWQCSA-N 2 0 342.483 3.094 20 0 EGADRP c1c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)sc2c1C[NH2+]CC2 ZINC000873204544 1297349725 /nfs/dbraw/zinc/34/97/25/1297349725.db2.gz GMCNCHVNLQLPRG-MRXNPFEDSA-N 2 0 342.464 3.460 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204381 1297349939 /nfs/dbraw/zinc/34/99/39/1297349939.db2.gz COWYCMOWRYFRGI-IAGOWNOFSA-N 2 0 347.572 3.480 20 0 EGADRP c1c(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)sc2c1C[NH2+]CC2 ZINC000873205966 1297350724 /nfs/dbraw/zinc/35/07/24/1297350724.db2.gz XYZJKFGWCUFCSA-QGZVFWFLSA-N 3 0 347.572 3.482 20 0 EGADRP CC1(C)C[C@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)c2cc(N)ccc2O1 ZINC000873213423 1297355828 /nfs/dbraw/zinc/35/58/28/1297355828.db2.gz ZBSREQBARIJIAH-INIZCTEOSA-N 2 0 343.496 3.368 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000873240938 1297381614 /nfs/dbraw/zinc/38/16/14/1297381614.db2.gz BPOVZXOWXHRYKJ-DOTOQJQBSA-N 2 0 329.488 3.242 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000873256818 1297393234 /nfs/dbraw/zinc/39/32/34/1297393234.db2.gz OSZSBTHZNZJQPD-DDHOLCJHSA-N 2 0 327.241 3.366 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000873259751 1297394321 /nfs/dbraw/zinc/39/43/21/1297394321.db2.gz KPVRUMIYXQCZFG-GQAVTEOGSA-N 2 0 349.316 3.427 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)ncc1F ZINC000873262937 1297397332 /nfs/dbraw/zinc/39/73/32/1297397332.db2.gz DTOQYASHNIJKOG-YFKTTZPYSA-N 2 0 342.256 3.164 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC[NH2+]CC1 ZINC000873272979 1297403589 /nfs/dbraw/zinc/40/35/89/1297403589.db2.gz XRJKOHLSGYRPTM-SWLSCSKDSA-N 2 0 337.305 3.284 20 0 EGADRP Fc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291087 1297412496 /nfs/dbraw/zinc/41/24/96/1297412496.db2.gz UFEKRBUMRAUAMO-CZUORRHYSA-N 2 0 336.476 3.111 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291469 1297412707 /nfs/dbraw/zinc/41/27/07/1297412707.db2.gz WFUCKXODYWDVQK-APWZRJJASA-N 2 0 332.488 3.283 20 0 EGADRP Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291085 1297412824 /nfs/dbraw/zinc/41/28/24/1297412824.db2.gz UFEKRBUMRAUAMO-CJNGLKHVSA-N 2 0 336.476 3.111 20 0 EGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCCO2 ZINC000873292689 1297414610 /nfs/dbraw/zinc/41/46/10/1297414610.db2.gz UTVRYURLGAXBTB-PKOBYXMFSA-N 2 0 344.499 3.265 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)ccc1F ZINC000873293391 1297415675 /nfs/dbraw/zinc/41/56/75/1297415675.db2.gz LRHYGUVOKWWTSM-QAPCUYQASA-N 2 0 338.442 3.410 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378902193 1297526220 /nfs/dbraw/zinc/52/62/20/1297526220.db2.gz CNXVWAVCGBXJNM-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP COc1ccc(Br)c(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000396444239 1297687904 /nfs/dbraw/zinc/68/79/04/1297687904.db2.gz BAILXXYEMAQLHN-LBPRGKRZSA-N 2 0 341.293 3.278 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000874245181 1297830963 /nfs/dbraw/zinc/83/09/63/1297830963.db2.gz TWBCZHGVXULVCO-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP C[NH2+]CC[C@H](C)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000691902862 1298139498 /nfs/dbraw/zinc/13/94/98/1298139498.db2.gz YEBHVZZELGLUOX-IBGZPJMESA-N 2 0 329.532 3.363 20 0 EGADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(Cc2ccccc2)CC1 ZINC000699316011 1298169388 /nfs/dbraw/zinc/16/93/88/1298169388.db2.gz VLIROKNTTSFPMG-IHWFROFDSA-N 2 0 327.516 3.113 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000708524464 1298239205 /nfs/dbraw/zinc/23/92/05/1298239205.db2.gz SLACIYOIXNTTOI-RSPOEFSDSA-N 2 0 328.500 3.302 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000715216965 1298278387 /nfs/dbraw/zinc/27/83/87/1298278387.db2.gz CXMDCSYFRPZEOZ-UYSNPLJNSA-N 2 0 339.524 3.237 20 0 EGADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000876724911 1298939322 /nfs/dbraw/zinc/93/93/22/1298939322.db2.gz BTWLKPYXWHINPP-WEHXZXSBSA-N 2 0 327.472 3.023 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000877201292 1299205255 /nfs/dbraw/zinc/20/52/55/1299205255.db2.gz XERIWYJUJVFVGF-LJQANCHMSA-N 2 0 345.531 3.339 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000749600610 1299242936 /nfs/dbraw/zinc/24/29/36/1299242936.db2.gz XZBJEPWTZJEWAG-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000877447226 1299306377 /nfs/dbraw/zinc/30/63/77/1299306377.db2.gz BJYBZJSNUGZAIQ-HNBVOPMISA-N 2 0 349.563 3.158 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)[C@H]3CCCCC[C@H]32)CC1 ZINC000749955606 1299313058 /nfs/dbraw/zinc/31/30/58/1299313058.db2.gz SMTLQJSVPMLFEH-RBUKOAKNSA-N 2 0 335.536 3.179 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000878445168 1300007979 /nfs/dbraw/zinc/00/79/79/1300007979.db2.gz DVIVIRWYZLIJQO-HOJAQTOUSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]1COCC[NH+](CCCCCCCC[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000754382216 1300132690 /nfs/dbraw/zinc/13/26/90/1300132690.db2.gz VPRKZULAWGBTET-PMACEKPBSA-N 2 0 340.552 3.264 20 0 EGADRP c1cc(N2CCCCC2)ccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754785353 1300215377 /nfs/dbraw/zinc/21/53/77/1300215377.db2.gz KPGKYWKLKIQFGZ-FPOVZHCZSA-N 2 0 327.516 3.436 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000879246228 1300451490 /nfs/dbraw/zinc/45/14/90/1300451490.db2.gz ATSCAKUUSFPJNF-UHFFFAOYSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000880004856 1300843995 /nfs/dbraw/zinc/84/39/95/1300843995.db2.gz ZOUQAZQIQZCXFU-QGZVFWFLSA-N 2 0 342.405 3.293 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000880517341 1301145753 /nfs/dbraw/zinc/14/57/53/1301145753.db2.gz NJUVVSRFNIJNFF-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP CN1c2ccc(C[N@H+](C)CCCC[NH+]3CCCCC3)cc2CCC1=O ZINC000880517945 1301145840 /nfs/dbraw/zinc/14/58/40/1301145840.db2.gz ZHTVFIVJBKKLAI-UHFFFAOYSA-N 2 0 343.515 3.294 20 0 EGADRP COC(=O)Cc1ccccc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516924 1301146019 /nfs/dbraw/zinc/14/60/19/1301146019.db2.gz DVYPUNNZMSQYHG-UHFFFAOYSA-N 2 0 332.488 3.100 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885937769 1303286537 /nfs/dbraw/zinc/28/65/37/1303286537.db2.gz JOMVPMHTEYLNFR-KURKYZTESA-N 2 0 338.536 3.061 20 0 EGADRP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)O2)CO1 ZINC000886330534 1303436417 /nfs/dbraw/zinc/43/64/17/1303436417.db2.gz TZMQUZFCMWXAPP-NSISKUIASA-N 2 0 336.520 3.100 20 0 EGADRP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386908 1303454038 /nfs/dbraw/zinc/45/40/38/1303454038.db2.gz LIVBTLUGFWTKPL-GTYQWKCWSA-N 2 0 338.536 3.011 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000886489299 1303475375 /nfs/dbraw/zinc/47/53/75/1303475375.db2.gz FSTMJXCXHKRXQC-GNZRSQJKSA-N 2 0 330.472 3.213 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2nnc(-c3ccccc3)[nH]2)CC1 ZINC000886581731 1303511882 /nfs/dbraw/zinc/51/18/82/1303511882.db2.gz MCOAKWYDIVPWHA-UHFFFAOYSA-N 2 0 339.487 3.358 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CCC(C)([NH+]4CCCC4)CC3)[C@H]2C1 ZINC000886610361 1303521872 /nfs/dbraw/zinc/52/18/72/1303521872.db2.gz ABJQIZXWJXSFBF-MFXISEHGSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2COC3(CCCC3)O2)CC1 ZINC000774474214 1303814195 /nfs/dbraw/zinc/81/41/95/1303814195.db2.gz FBMHUFOJWKYFCW-BHIYHBOVSA-N 2 0 336.520 3.305 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](CCO)C2CC2)cc1C[NH+]1CCCCC1 ZINC000775409699 1303959151 /nfs/dbraw/zinc/95/91/51/1303959151.db2.gz GIDSZVNURWWITI-OXJNMPFZSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2[nH]1 ZINC000775626242 1303996650 /nfs/dbraw/zinc/99/66/50/1303996650.db2.gz BGYSUUGGACSPOJ-GKCIPKSASA-N 2 0 327.472 3.196 20 0 EGADRP CCc1nccn1[C@@H](C)CC(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000888575875 1304202527 /nfs/dbraw/zinc/20/25/27/1304202527.db2.gz ASBQSOYRQNVMNO-HNNXBMFYSA-N 2 0 341.459 3.421 20 0 EGADRP C[C@H]1C[C@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000777598223 1304322940 /nfs/dbraw/zinc/32/29/40/1304322940.db2.gz MIZPOSNBWGYSSQ-PKOBYXMFSA-N 2 0 331.504 3.446 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000889834039 1304600557 /nfs/dbraw/zinc/60/05/57/1304600557.db2.gz VEUMFEREZFFVQN-FQEVSTJZSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000782185497 1304927101 /nfs/dbraw/zinc/92/71/01/1304927101.db2.gz XRTUKEFUOLTOEX-RXVVDRJESA-N 2 0 329.532 3.313 20 0 EGADRP C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000783234763 1305068649 /nfs/dbraw/zinc/06/86/49/1305068649.db2.gz SSUGVNANLJGZKX-JXFKEZNVSA-N 2 0 332.488 3.064 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(Cc3cnn(C)c3C3CC3)C2)CC1 ZINC000891823698 1305179012 /nfs/dbraw/zinc/17/90/12/1305179012.db2.gz ZJAVYUXOJNGIOX-QGZVFWFLSA-N 2 0 330.520 3.241 20 0 EGADRP C[C@H]1Cc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc2O1 ZINC000892129511 1305260721 /nfs/dbraw/zinc/26/07/21/1305260721.db2.gz AVTSHSKOWBTTKR-KRWDZBQOSA-N 2 0 344.499 3.087 20 0 EGADRP CCCSC[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000892398185 1305351882 /nfs/dbraw/zinc/35/18/82/1305351882.db2.gz XLOCRLIDJCDOSF-MJGOQNOKSA-N 2 0 335.561 3.096 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000892574816 1305448794 /nfs/dbraw/zinc/44/87/94/1305448794.db2.gz NQTGNZTYAITGRH-ROUUACIJSA-N 2 0 334.504 3.060 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C2CC2)c1 ZINC000892696818 1305512420 /nfs/dbraw/zinc/51/24/20/1305512420.db2.gz MXLLHQJKKHMMJS-UHFFFAOYSA-N 2 0 326.488 3.428 20 0 EGADRP Cn1ncc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000892739962 1305530854 /nfs/dbraw/zinc/53/08/54/1305530854.db2.gz KHQUHQGQWZKXIM-GOSISDBHSA-N 2 0 338.499 3.299 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000892740404 1305532399 /nfs/dbraw/zinc/53/23/99/1305532399.db2.gz LIZVFJRMDQMOES-SFHVURJKSA-N 2 0 334.504 3.204 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000893207519 1305762396 /nfs/dbraw/zinc/76/23/96/1305762396.db2.gz LVZBSCLOXTZDMK-UWJYYQICSA-N 2 0 346.515 3.243 20 0 EGADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000893304817 1305816159 /nfs/dbraw/zinc/81/61/59/1305816159.db2.gz OZZJRHRAMVGFGU-UHFFFAOYSA-N 2 0 341.503 3.482 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000894365283 1306361267 /nfs/dbraw/zinc/36/12/67/1306361267.db2.gz BJWUHFUCZFXCLS-KRWDZBQOSA-N 2 0 344.503 3.127 20 0 EGADRP CSC1(C[NH2+]Cc2ccnc(Cl)c2Cl)CC[NH+](C)CC1 ZINC000811513857 1318192588 /nfs/dbraw/zinc/19/25/88/1318192588.db2.gz SXFYMQVYKSZIEH-UHFFFAOYSA-N 2 0 334.316 3.305 20 0 EGADRP CSc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000894430988 1308878623 /nfs/dbraw/zinc/87/86/23/1308878623.db2.gz IJPOMSIERCEPMS-UHFFFAOYSA-N 2 0 338.517 3.326 20 0 EGADRP C[NH+]1CCC(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000894481994 1308914517 /nfs/dbraw/zinc/91/45/17/1308914517.db2.gz VLRIOAATOOWWEL-INIZCTEOSA-N 2 0 331.287 3.348 20 0 EGADRP CC(C)(C)[NH+]1CCC(N(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895110506 1309195165 /nfs/dbraw/zinc/19/51/65/1309195165.db2.gz NUDMCJHWSRPZME-QAQDUYKDSA-N 2 0 330.520 3.421 20 0 EGADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895377175 1309304938 /nfs/dbraw/zinc/30/49/38/1309304938.db2.gz KJCOIYZMWNUYOK-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)nn2C)cc1 ZINC000793523487 1309393053 /nfs/dbraw/zinc/39/30/53/1309393053.db2.gz ILQQNFWKVUXDKB-KRWDZBQOSA-N 2 0 344.503 3.300 20 0 EGADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)OCCc2ccccc21 ZINC000895640328 1309442939 /nfs/dbraw/zinc/44/29/39/1309442939.db2.gz SKDMQEQEGWHQFR-NRFANRHFSA-N 2 0 337.467 3.128 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896407602 1309846224 /nfs/dbraw/zinc/84/62/24/1309846224.db2.gz SOYDWESXAUFSGX-APWZRJJASA-N 2 0 343.515 3.201 20 0 EGADRP CCC(CC)[C@@H](C[NH2+]CC1CCC2(CC1)OCCO2)[NH+]1CCCC1 ZINC000795895188 1309855272 /nfs/dbraw/zinc/85/52/72/1309855272.db2.gz VODXLIBIWOXICV-LJQANCHMSA-N 2 0 338.536 3.410 20 0 EGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cc(Cl)n1 ZINC000797600495 1310219039 /nfs/dbraw/zinc/21/90/39/1310219039.db2.gz WRAHKEBRUSEZKI-UHFFFAOYSA-N 2 0 347.890 3.316 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897537307 1310368498 /nfs/dbraw/zinc/36/84/98/1310368498.db2.gz SHUSMVYMZQSHLV-WJMWBRGCSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CC2(C)CCC3(CC2)OCCO3)CC1 ZINC000897714718 1310441505 /nfs/dbraw/zinc/44/15/05/1310441505.db2.gz ABSNVLMLZOSDJE-UHFFFAOYSA-N 2 0 338.536 3.410 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000799179100 1310500144 /nfs/dbraw/zinc/50/01/44/1310500144.db2.gz CNEBJHZWNJWHHK-QGZVFWFLSA-N 2 0 340.870 3.320 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000839182174 1320887980 /nfs/dbraw/zinc/88/79/80/1320887980.db2.gz LHZQMHUHSNECLE-IAGOWNOFSA-N 2 0 341.540 3.105 20 0 EGADRP CCCN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000857295446 1328526829 /nfs/dbraw/zinc/52/68/29/1328526829.db2.gz PITRCSLQIJOOLO-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP CCN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000857310860 1328528135 /nfs/dbraw/zinc/52/81/35/1328528135.db2.gz JEGKOBVFCDTRJU-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000857867632 1328609028 /nfs/dbraw/zinc/60/90/28/1328609028.db2.gz ZANPCPHWGOVIDL-IBGZPJMESA-N 2 0 340.471 3.050 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001018971883 1316991819 /nfs/dbraw/zinc/99/18/19/1316991819.db2.gz YNRPLNGWIRYJQI-GJZGRUSLSA-N 2 0 349.906 3.076 20 0 EGADRP C[N@H+](Cc1cccc(-c2ccc(F)c(C[C@H](C[NH3+])CO)c2)c1)C1CC1 ZINC000899323768 1316992655 /nfs/dbraw/zinc/99/26/55/1316992655.db2.gz IIFFHPYJTLLLQA-MRXNPFEDSA-N 2 0 342.458 3.197 20 0 EGADRP CC1(C)CCC(C[NH2+][C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001019088555 1317039368 /nfs/dbraw/zinc/03/93/68/1317039368.db2.gz WTGUIFTVPHYOKV-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000899560575 1317091207 /nfs/dbraw/zinc/09/12/07/1317091207.db2.gz RRCFLIJSKHVUGZ-GOSISDBHSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001019466228 1317261947 /nfs/dbraw/zinc/26/19/47/1317261947.db2.gz RXYPQFRRBBVDND-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900530161 1317300672 /nfs/dbraw/zinc/30/06/72/1317300672.db2.gz VSTITPNQFXPILS-WOJBJXKFSA-N 2 0 343.515 3.114 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001019820441 1317439749 /nfs/dbraw/zinc/43/97/49/1317439749.db2.gz KNCZDJPAYDWVDG-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633684 1317509157 /nfs/dbraw/zinc/50/91/57/1317509157.db2.gz LPBCBUVVNHWDLJ-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902348422 1317567042 /nfs/dbraw/zinc/56/70/42/1317567042.db2.gz LVUZYPYIRXAEKY-CRAIPNDOSA-N 2 0 331.504 3.083 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000902368228 1317569493 /nfs/dbraw/zinc/56/94/93/1317569493.db2.gz FUSKNHWIERJSKX-JLSDUUJJSA-N 2 0 337.458 3.078 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCCCC[NH2+]2)C3)cc1 ZINC000902482760 1317582844 /nfs/dbraw/zinc/58/28/44/1317582844.db2.gz NKAYWTYCEUSEIE-NCYKPQTJSA-N 2 0 327.516 3.304 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001020289325 1317628110 /nfs/dbraw/zinc/62/81/10/1317628110.db2.gz XYVYBNYESACPTB-MUGJNUQGSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000957761123 1317628291 /nfs/dbraw/zinc/62/82/91/1317628291.db2.gz GLCOVERWSIOTSN-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)c1 ZINC000903089020 1317650225 /nfs/dbraw/zinc/65/02/25/1317650225.db2.gz OBWPHNZBDWDACM-HUBHPDRSSA-N 2 0 341.499 3.021 20 0 EGADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903107308 1317655198 /nfs/dbraw/zinc/65/51/98/1317655198.db2.gz QLBDNQWZBKVUST-VHRNVKJDSA-N 2 0 337.508 3.037 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000903115990 1317656123 /nfs/dbraw/zinc/65/61/23/1317656123.db2.gz FETSFUADVGHSEC-MYGYKHERSA-N 2 0 330.516 3.434 20 0 EGADRP c1ccc(COC2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903153149 1317664271 /nfs/dbraw/zinc/66/42/71/1317664271.db2.gz QPHIGVRZXOHZND-CVUDLSNHSA-N 2 0 326.484 3.482 20 0 EGADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000903153661 1317664444 /nfs/dbraw/zinc/66/44/44/1317664444.db2.gz UPJHWRIEOFKITG-XZBHBCHMSA-N 2 0 327.516 3.425 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903214090 1317675026 /nfs/dbraw/zinc/67/50/26/1317675026.db2.gz SBLFSIAVKBRGNR-VKZYCITMSA-N 2 0 349.519 3.037 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903398034 1317695461 /nfs/dbraw/zinc/69/54/61/1317695461.db2.gz TWYUZXUYYMSTPO-KRWDZBQOSA-N 2 0 342.483 3.013 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C)cc1C[NH+]1CCCCC1 ZINC000903394385 1317695747 /nfs/dbraw/zinc/69/57/47/1317695747.db2.gz BFXMPCVATOVOPK-GJYPPUQNSA-N 2 0 332.488 3.367 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001020463085 1317707246 /nfs/dbraw/zinc/70/72/46/1317707246.db2.gz UTFFZHBZJNEDQF-BHIYHBOVSA-N 2 0 343.515 3.167 20 0 EGADRP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717860 1317724660 /nfs/dbraw/zinc/72/46/60/1317724660.db2.gz FDLWENZKMUFDEY-INIZCTEOSA-N 2 0 342.405 3.296 20 0 EGADRP C[NH2+]C[C@@H]1CCCN(Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000903712983 1317725016 /nfs/dbraw/zinc/72/50/16/1317725016.db2.gz CSMBJJHKSKKSFZ-HNNXBMFYSA-N 2 0 343.446 3.328 20 0 EGADRP c1c2ccccc2[nH]c1C1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903726704 1317725545 /nfs/dbraw/zinc/72/55/45/1317725545.db2.gz NGAUMNZIASPDJV-WIYYLYMNSA-N 2 0 339.483 3.116 20 0 EGADRP c1c2ccccc2[nH]c1C1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903726703 1317725794 /nfs/dbraw/zinc/72/57/94/1317725794.db2.gz NGAUMNZIASPDJV-RXVVDRJESA-N 2 0 339.483 3.116 20 0 EGADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725831 1317726296 /nfs/dbraw/zinc/72/62/96/1317726296.db2.gz IBPIAFISOCHWII-CGXNFDGLSA-N 2 0 328.500 3.413 20 0 EGADRP c1c2c(oc1-c1ccccc1)C[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903734674 1317727088 /nfs/dbraw/zinc/72/70/88/1317727088.db2.gz UUQBDCFGUHSIBP-RXVVDRJESA-N 2 0 338.451 3.073 20 0 EGADRP c1ccc(SC[C@H]2CC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903733947 1317727608 /nfs/dbraw/zinc/72/76/08/1317727608.db2.gz NCAYHGFWDHJGDX-ROUUACIJSA-N 2 0 346.540 3.259 20 0 EGADRP Fc1ccccc1CC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903730319 1317727686 /nfs/dbraw/zinc/72/76/86/1317727686.db2.gz VJEYEDLCJYZVIO-LJQANCHMSA-N 2 0 346.490 3.239 20 0 EGADRP CCc1ccc(C2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903776368 1317732441 /nfs/dbraw/zinc/73/24/41/1317732441.db2.gz STTMUNZDPXHKNH-NHCUHLMSSA-N 2 0 328.500 3.197 20 0 EGADRP CC(C)(C)n1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cn1 ZINC000903794047 1317735933 /nfs/dbraw/zinc/73/59/33/1317735933.db2.gz YTZICYSAPHZCPA-UHFFFAOYSA-N 2 0 326.488 3.131 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000903794566 1317737062 /nfs/dbraw/zinc/73/70/62/1317737062.db2.gz ZYPDPXCLLMUSFY-UHFFFAOYSA-N 2 0 346.478 3.365 20 0 EGADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC000903823264 1317737530 /nfs/dbraw/zinc/73/75/30/1317737530.db2.gz FONMCPKGYLQXQI-AZUAARDMSA-N 3 0 327.516 3.201 20 0 EGADRP Cc1cc(C)cc(C2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903875974 1317740493 /nfs/dbraw/zinc/74/04/93/1317740493.db2.gz UWXIDLODDXAUOX-SFTDATJTSA-N 2 0 328.500 3.251 20 0 EGADRP O[C@H](c1ccc(F)cc1)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903893030 1317743334 /nfs/dbraw/zinc/74/33/34/1317743334.db2.gz ORKMYDMEAMCLIW-VWESTFDSSA-N 2 0 332.463 3.102 20 0 EGADRP O[C@@H](c1ccc(F)cc1)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903893031 1317743483 /nfs/dbraw/zinc/74/34/83/1317743483.db2.gz ORKMYDMEAMCLIW-ZNUQSRJQSA-N 2 0 332.463 3.102 20 0 EGADRP FC(F)(F)C1(C(F)(F)F)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908717 1317746169 /nfs/dbraw/zinc/74/61/69/1317746169.db2.gz OSJLGZSCNNCJIW-FGWVZKOKSA-N 2 0 330.316 3.334 20 0 EGADRP O=C(c1cc(F)ccc1F)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903903777 1317746268 /nfs/dbraw/zinc/74/62/68/1317746268.db2.gz NBJIFKCFOBLIPB-FUCXHRTASA-N 2 0 348.437 3.390 20 0 EGADRP [NH3+][C@H](C[NH2+]CC1(c2ccccc2Br)CC1)CC(F)F ZINC000903923437 1317750935 /nfs/dbraw/zinc/75/09/35/1317750935.db2.gz UHRLZRHLCREQIB-JTQLQIEISA-N 2 0 333.220 3.053 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000903939376 1317751949 /nfs/dbraw/zinc/75/19/49/1317751949.db2.gz YQYYKUPLKIYKCA-UHFFFAOYSA-N 2 0 335.455 3.151 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000903938424 1317752087 /nfs/dbraw/zinc/75/20/87/1317752087.db2.gz AABHBZMKCRGXQJ-OAHLLOKOSA-N 2 0 326.868 3.115 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001020591731 1317792278 /nfs/dbraw/zinc/79/22/78/1317792278.db2.gz UJKRHUQWPSRJJR-FHWLQOOXSA-N 2 0 343.515 3.106 20 0 EGADRP CCOc1ccc(C2(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)CCOCC2)cc1 ZINC000904361211 1317836655 /nfs/dbraw/zinc/83/66/55/1317836655.db2.gz YFCGNHYCPVTSCE-FQEVSTJZSA-N 2 0 346.515 3.113 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605537 1317842782 /nfs/dbraw/zinc/84/27/82/1317842782.db2.gz DOJASQAYSZXHFH-GTPINHCMSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC001020672938 1317848857 /nfs/dbraw/zinc/84/88/57/1317848857.db2.gz BCFDIZLVXKEJEA-DRRJLQACSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000904477054 1317852665 /nfs/dbraw/zinc/85/26/65/1317852665.db2.gz WXOHWOUDUXVFPE-CIWUYKSXSA-N 2 0 330.472 3.037 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1C[NH3+] ZINC000904634902 1317872860 /nfs/dbraw/zinc/87/28/60/1317872860.db2.gz UGPMVOHAODIIJP-UHFFFAOYSA-N 2 0 332.492 3.265 20 0 EGADRP CCOCOc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000809754920 1317891212 /nfs/dbraw/zinc/89/12/12/1317891212.db2.gz DCEQUBULVZSBSC-IBGZPJMESA-N 2 0 332.488 3.223 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@]3(O)CCC[NH2+]C3)cc2)cc1F ZINC000904759102 1317895481 /nfs/dbraw/zinc/89/54/81/1317895481.db2.gz COIKPLBZLMFVJE-FQEVSTJZSA-N 2 0 328.431 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)cc1 ZINC001020753907 1317906242 /nfs/dbraw/zinc/90/62/42/1317906242.db2.gz XQJLVBXFARZGGX-MXVIHJGJSA-N 2 0 341.499 3.099 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001021211445 1318142739 /nfs/dbraw/zinc/14/27/39/1318142739.db2.gz WPAUPJXYIQXMJZ-RAFMOHDBSA-N 2 0 345.531 3.083 20 0 EGADRP Cc1cnc2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(C)C)ccn12 ZINC001021257566 1318161812 /nfs/dbraw/zinc/16/18/12/1318161812.db2.gz INPMDEDOAUKWPC-AYHJJNSGSA-N 2 0 340.471 3.024 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCCC2)C1 ZINC001021460733 1318265688 /nfs/dbraw/zinc/26/56/88/1318265688.db2.gz HEQVUJBVHFVJDM-XUBOLADHSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000908501876 1318355927 /nfs/dbraw/zinc/35/59/27/1318355927.db2.gz JMQSIYIMVRYXEQ-IXDOHACOSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666565 1318528778 /nfs/dbraw/zinc/52/87/78/1318528778.db2.gz VNTFBVNNLUDWKZ-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP COC(=O)[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC(C)C ZINC000813332334 1318534903 /nfs/dbraw/zinc/53/49/03/1318534903.db2.gz VUNNHMRZYGKXDU-IBGZPJMESA-N 2 0 346.515 3.118 20 0 EGADRP CCSc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000930061131 1328775139 /nfs/dbraw/zinc/77/51/39/1328775139.db2.gz QOEMQPDOCSYKMM-OKZBNKHCSA-N 2 0 334.529 3.482 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858490587 1328777237 /nfs/dbraw/zinc/77/72/37/1328777237.db2.gz KBYNQXBNQVPWHW-DLBZAZTESA-N 2 0 329.488 3.196 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858491126 1328778248 /nfs/dbraw/zinc/77/82/48/1328778248.db2.gz YSMPWPRZEYYFAS-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]cn1 ZINC000960671437 1318785904 /nfs/dbraw/zinc/78/59/04/1318785904.db2.gz LAQAKNIBKMQADX-APWZRJJASA-N 2 0 340.471 3.026 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022069891 1318788056 /nfs/dbraw/zinc/78/80/56/1318788056.db2.gz OJDVPHQNXCARKU-ZCNNSNEGSA-N 2 0 349.563 3.457 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1)C1CC1 ZINC000960685098 1318792664 /nfs/dbraw/zinc/79/26/64/1318792664.db2.gz UASDRBZPDWDWRZ-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC000960694045 1318797796 /nfs/dbraw/zinc/79/77/96/1318797796.db2.gz WCVQXAXPKDFUHL-PKOBYXMFSA-N 2 0 343.515 3.155 20 0 EGADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815143359 1318908509 /nfs/dbraw/zinc/90/85/09/1318908509.db2.gz IWGQUHFNRVSPAK-NRFANRHFSA-N 2 0 343.515 3.440 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1C ZINC001022434806 1318940330 /nfs/dbraw/zinc/94/03/30/1318940330.db2.gz NVBHYQPZBCVCSD-KDURUIRLSA-N 2 0 348.450 3.002 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960829402 1318958549 /nfs/dbraw/zinc/95/85/49/1318958549.db2.gz MAGAVOQOQHUKBP-SFHVURJKSA-N 2 0 347.503 3.068 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001022492520 1318963646 /nfs/dbraw/zinc/96/36/46/1318963646.db2.gz FJGMAMHDDVEGEV-HSALFYBXSA-N 2 0 347.547 3.068 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960862706 1319007694 /nfs/dbraw/zinc/00/76/94/1319007694.db2.gz KWCALLMGEVOUCJ-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000815566771 1319018024 /nfs/dbraw/zinc/01/80/24/1319018024.db2.gz FAZLUFHNJHEFHI-INIZCTEOSA-N 2 0 342.462 3.132 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCC2)cc1 ZINC000960927818 1319071949 /nfs/dbraw/zinc/07/19/49/1319071949.db2.gz OFXXFXKZLQSLAV-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001022885668 1319150113 /nfs/dbraw/zinc/15/01/13/1319150113.db2.gz KLQSAPBMQWMIEN-BGYRXZFFSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000961034588 1319159083 /nfs/dbraw/zinc/15/90/83/1319159083.db2.gz NWXLCIRQWAEDKJ-QUCCMNQESA-N 2 0 343.515 3.075 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022975634 1319198569 /nfs/dbraw/zinc/19/85/69/1319198569.db2.gz PVRPWQDQZGRMPD-YSTOQKLRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCSC(C)(C)C)CC2)CC1 ZINC000817286335 1319314793 /nfs/dbraw/zinc/31/47/93/1319314793.db2.gz SRJPILNDFHGQQN-UHFFFAOYSA-N 2 0 327.582 3.010 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817894708 1319453044 /nfs/dbraw/zinc/45/30/44/1319453044.db2.gz NCVPKLFRVPBHJQ-MTQWCTHYSA-N 2 0 332.488 3.018 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1c(F)cccc1Cl ZINC000817905846 1319457079 /nfs/dbraw/zinc/45/70/79/1319457079.db2.gz OMKIGIBEIKESGB-KKBVYLPWSA-N 2 0 340.870 3.413 20 0 EGADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000817930421 1319465091 /nfs/dbraw/zinc/46/50/91/1319465091.db2.gz AEDCPKMYNBPWEP-HJOIGYKYSA-N 2 0 329.488 3.372 20 0 EGADRP COc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817940063 1319469081 /nfs/dbraw/zinc/46/90/81/1319469081.db2.gz CPTMNOJKKXNDCX-VQIMIIECSA-N 2 0 331.504 3.084 20 0 EGADRP COc1cc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc(OC)c1OC ZINC000817947085 1319473774 /nfs/dbraw/zinc/47/37/74/1319473774.db2.gz JPSUTHDGGZCKQB-AWEZNQCLSA-N 2 0 344.455 3.064 20 0 EGADRP COc1ccc([C@H](C)N[C@@H](C[NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960668 1319477738 /nfs/dbraw/zinc/47/77/38/1319477738.db2.gz OZRUYOYRGLEMAM-KXBFYZLASA-N 2 0 331.504 3.069 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1Cn1cccn1 ZINC000817958993 1319478655 /nfs/dbraw/zinc/47/86/55/1319478655.db2.gz AALOVWRPPVLPQZ-VDZJLULYSA-N 2 0 342.487 3.108 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1C[NH+]1CCCCC1 ZINC000817972660 1319482433 /nfs/dbraw/zinc/48/24/33/1319482433.db2.gz ZHKSFHCRLYPGRL-FUHIMQAGSA-N 3 0 345.531 3.472 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC[NH2+]CC1 ZINC000817974965 1319482575 /nfs/dbraw/zinc/48/25/75/1319482575.db2.gz OUHPSYNNIDHJRY-NSHDSACASA-N 2 0 346.302 3.242 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817985589 1319487100 /nfs/dbraw/zinc/48/71/00/1319487100.db2.gz FQPFNAGKNZHHCY-LEUOFYLZSA-N 2 0 343.471 3.072 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001023446477 1319546547 /nfs/dbraw/zinc/54/65/47/1319546547.db2.gz QJLVKZXHUKBISO-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](CC)C3)CC2)C1 ZINC000961397235 1319551923 /nfs/dbraw/zinc/55/19/23/1319551923.db2.gz SKPXSUMTTIECNK-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818943695 1319583236 /nfs/dbraw/zinc/58/32/36/1319583236.db2.gz XTGQBKMSKAMCIN-FQEVSTJZSA-N 2 0 330.447 3.491 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1F ZINC000818953392 1319587878 /nfs/dbraw/zinc/58/78/78/1319587878.db2.gz LBEQZOXDLPEJBS-HXUWFJFHSA-N 2 0 328.431 3.245 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000818959424 1319590216 /nfs/dbraw/zinc/59/02/16/1319590216.db2.gz JRUIRYGEZYBYLY-RDTXWAMCSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000818959709 1319591080 /nfs/dbraw/zinc/59/10/80/1319591080.db2.gz RHPCICTYYZFINH-YOEHRIQHSA-N 2 0 326.431 3.242 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000818959708 1319591198 /nfs/dbraw/zinc/59/11/98/1319591198.db2.gz RHPCICTYYZFINH-WMLDXEAASA-N 2 0 326.431 3.242 20 0 EGADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1c(F)cccc1F ZINC000819051018 1319621518 /nfs/dbraw/zinc/62/15/18/1319621518.db2.gz ZKRGHHRTRAAVOC-KRWDZBQOSA-N 2 0 326.431 3.244 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552730 1319663606 /nfs/dbraw/zinc/66/36/06/1319663606.db2.gz MCDCTTPCGKAGBC-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000819363712 1319710030 /nfs/dbraw/zinc/71/00/30/1319710030.db2.gz YNKYWLHUROWUMY-INIZCTEOSA-N 2 0 330.394 3.203 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819366162 1319710512 /nfs/dbraw/zinc/71/05/12/1319710512.db2.gz KERGONGRZWMHMF-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023763589 1319911848 /nfs/dbraw/zinc/91/18/48/1319911848.db2.gz UREXTHOSFGCESL-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962385575 1319945235 /nfs/dbraw/zinc/94/52/35/1319945235.db2.gz QXOMMJLONKENMU-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](O)C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000820814111 1319958788 /nfs/dbraw/zinc/95/87/88/1319958788.db2.gz FSVLESCWIKFIQH-ZCZPEFOYSA-N 2 0 328.500 3.289 20 0 EGADRP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820814114 1319959400 /nfs/dbraw/zinc/95/94/00/1319959400.db2.gz FSYBMTOXGWQVLT-OPECSJNASA-N 2 0 332.463 3.385 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000823408834 1320176822 /nfs/dbraw/zinc/17/68/22/1320176822.db2.gz RIUDTGABUASYMY-IAGOWNOFSA-N 2 0 341.540 3.057 20 0 EGADRP C[C@@H](NCc1cc(C2CC2)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824119352 1320230272 /nfs/dbraw/zinc/23/02/72/1320230272.db2.gz HHDFPJQWRLEURK-APWZRJJASA-N 2 0 338.499 3.298 20 0 EGADRP CCOC(=O)c1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)[nH]c1C ZINC000824384068 1320253721 /nfs/dbraw/zinc/25/37/21/1320253721.db2.gz YQDUJASDNZPQLH-UHFFFAOYSA-N 2 0 343.471 3.193 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1)C(C)C ZINC000827329484 1320444328 /nfs/dbraw/zinc/44/43/28/1320444328.db2.gz GWBVZADQXRWAJN-VQTJNVASSA-N 2 0 343.515 3.083 20 0 EGADRP c1cc(C[NH+]2CCC3(CC2)OCCCO3)ccc1C[NH+]1CCCCC1 ZINC000839609585 1320944387 /nfs/dbraw/zinc/94/43/87/1320944387.db2.gz NJIAMJKBJZOXAJ-UHFFFAOYSA-N 2 0 344.499 3.402 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)ccc1OC ZINC000840890041 1321171296 /nfs/dbraw/zinc/17/12/96/1321171296.db2.gz KZNZJBBINJKPRD-HZPDHXFCSA-N 2 0 349.519 3.101 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000841032943 1321204631 /nfs/dbraw/zinc/20/46/31/1321204631.db2.gz KKANXEPZURXOHN-GOSISDBHSA-N 2 0 339.483 3.367 20 0 EGADRP CC(C)[C@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[C@@H](C)[NH3+] ZINC000841823787 1321319240 /nfs/dbraw/zinc/31/92/40/1321319240.db2.gz PWOYUWLSSXVJHX-PBHICJAKSA-N 2 0 328.460 3.419 20 0 EGADRP CCc1ccc2c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc(=O)oc2c1 ZINC000842472900 1321392931 /nfs/dbraw/zinc/39/29/31/1321392931.db2.gz LLXNQAVPEOQLNS-IBGZPJMESA-N 2 0 340.467 3.319 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000843053741 1321462762 /nfs/dbraw/zinc/46/27/62/1321462762.db2.gz HLDGWRRMQTZHGM-DLZDZTESSA-N 2 0 330.472 3.089 20 0 EGADRP CCCCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1Cl ZINC000843125704 1321473143 /nfs/dbraw/zinc/47/31/43/1321473143.db2.gz FTVVPFUYEIVBMH-HZPDHXFCSA-N 2 0 338.927 3.467 20 0 EGADRP Clc1cc(Cl)cc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000843125715 1321473521 /nfs/dbraw/zinc/47/35/21/1321473521.db2.gz FZLONBMFWGMQOM-KRWDZBQOSA-N 2 0 342.314 3.299 20 0 EGADRP CC(C)[C@@H]([NH3+])c1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000843152139 1321479814 /nfs/dbraw/zinc/47/98/14/1321479814.db2.gz QJHLXWYTKGDFAK-GOEBONIOSA-N 2 0 332.423 3.244 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000843340512 1321502257 /nfs/dbraw/zinc/50/22/57/1321502257.db2.gz RHYYUDVIIQZWIP-WZGPROSRSA-N 2 0 341.499 3.242 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000843348264 1321503308 /nfs/dbraw/zinc/50/33/08/1321503308.db2.gz AEWTWBCFTFUUTD-CABCVRRESA-N 2 0 331.504 3.370 20 0 EGADRP Cc1cc(C(=O)C[N@@H+](C)C2CCC([NH3+])CC2)c(C)n1CC(F)(F)F ZINC000843354544 1321504970 /nfs/dbraw/zinc/50/49/70/1321504970.db2.gz BEXRGAYUFRUVPH-UHFFFAOYSA-N 2 0 345.409 3.052 20 0 EGADRP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843363461 1321506967 /nfs/dbraw/zinc/50/69/67/1321506967.db2.gz KRSNJDNVPFPZHF-UHFFFAOYSA-N 2 0 325.456 3.100 20 0 EGADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844332637 1321590859 /nfs/dbraw/zinc/59/08/59/1321590859.db2.gz VOUZCRVIACSPFY-IBGZPJMESA-N 2 0 339.524 3.099 20 0 EGADRP COc1cc(NC2CC[NH+](CCCCCC[NH3+])CC2)cc(OC)c1 ZINC000846219404 1321777146 /nfs/dbraw/zinc/77/71/46/1321777146.db2.gz AUIVUVDCGJKSQW-UHFFFAOYSA-N 2 0 335.492 3.099 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cc(=O)oc2c1 ZINC000846226431 1321777972 /nfs/dbraw/zinc/77/79/72/1321777972.db2.gz NASNLVGFJKBLMH-KSSFIOAISA-N 2 0 328.456 3.305 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H]1CC[NH3+] ZINC000846226640 1321778342 /nfs/dbraw/zinc/77/83/42/1321778342.db2.gz SDGYUBXQJUSWPM-IFXJQAMLSA-N 2 0 340.467 3.231 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2nonc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846848953 1321816558 /nfs/dbraw/zinc/81/65/58/1321816558.db2.gz QHWFVKWOZJDJDY-QAPCUYQASA-N 2 0 336.439 3.223 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000849059515 1322061675 /nfs/dbraw/zinc/06/16/75/1322061675.db2.gz ZLZXQVUHUUBDFP-GOSISDBHSA-N 2 0 346.519 3.066 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)Cc1ccccc1 ZINC000849063547 1322062650 /nfs/dbraw/zinc/06/26/50/1322062650.db2.gz JAVZXDOEPRWUOM-MJGOQNOKSA-N 2 0 330.520 3.196 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCCC1 ZINC000849071259 1322066425 /nfs/dbraw/zinc/06/64/25/1322066425.db2.gz ZSVCPWSAOQHRPQ-SFHVURJKSA-N 2 0 346.494 3.236 20 0 EGADRP C[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000849082848 1322071254 /nfs/dbraw/zinc/07/12/54/1322071254.db2.gz NSFRZQPCXMXCIO-GFCCVEGCSA-N 2 0 344.381 3.253 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000849091169 1322074826 /nfs/dbraw/zinc/07/48/26/1322074826.db2.gz XJLDURXUBVBWGC-SJLPKXTDSA-N 2 0 344.503 3.279 20 0 EGADRP [NH2+]=C(NCCNc1cc[nH+]cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000849091259 1322075307 /nfs/dbraw/zinc/07/53/07/1322075307.db2.gz PQVRRQYVTQFPAK-UHFFFAOYSA-N 2 0 347.422 3.344 20 0 EGADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849112275 1322083236 /nfs/dbraw/zinc/08/32/36/1322083236.db2.gz FNPGCRFIOPQFGT-BLLLJJGKSA-N 2 0 338.858 3.138 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920761930 1322219375 /nfs/dbraw/zinc/21/93/75/1322219375.db2.gz CDQRIFUPDQNWBU-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000850399570 1322238297 /nfs/dbraw/zinc/23/82/97/1322238297.db2.gz MWYCPLHJEZRIMD-WOSRLPQWSA-N 2 0 329.271 3.243 20 0 EGADRP Brc1ccoc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850421084 1322244186 /nfs/dbraw/zinc/24/41/86/1322244186.db2.gz VGLXLXIEGRZDIE-UHFFFAOYSA-N 2 0 327.266 3.254 20 0 EGADRP COc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(C)c1 ZINC000921548841 1322349294 /nfs/dbraw/zinc/34/92/94/1322349294.db2.gz ZZHZUJWGQCLBST-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922390076 1322517576 /nfs/dbraw/zinc/51/75/76/1322517576.db2.gz XEVXRLIXTJAGDY-CGXNFDGLSA-N 2 0 330.516 3.379 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000922846393 1322631570 /nfs/dbraw/zinc/63/15/70/1322631570.db2.gz ZHXCWKGHHVVPRM-UHFFFAOYSA-N 2 0 342.531 3.043 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923362490 1322740419 /nfs/dbraw/zinc/74/04/19/1322740419.db2.gz NMTNSTBQRCVSBE-GRDNDAEWSA-N 2 0 342.405 3.060 20 0 EGADRP O[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(F)cc1Cl ZINC000923391787 1322744466 /nfs/dbraw/zinc/74/44/66/1322744466.db2.gz ZDXZUWHHAOMOIN-KSSFIOAISA-N 2 0 340.870 3.224 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1SC(F)(F)F ZINC000923480683 1322759637 /nfs/dbraw/zinc/75/96/37/1322759637.db2.gz BIRRNBDUGISETO-LLVKDONJSA-N 2 0 334.407 3.478 20 0 EGADRP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](CC[NH3+])C3)c2cc1Cl ZINC000923484232 1322759739 /nfs/dbraw/zinc/75/97/39/1322759739.db2.gz IJHQINJZXPOTDF-LBPRGKRZSA-N 2 0 334.847 3.180 20 0 EGADRP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481852 1322759953 /nfs/dbraw/zinc/75/99/53/1322759953.db2.gz MUJBRRLJDRAMSF-GXTWGEPZSA-N 2 0 334.851 3.046 20 0 EGADRP CC(=O)Nc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505990 1322764914 /nfs/dbraw/zinc/76/49/14/1322764914.db2.gz RQZNZXGVEOJYNE-GOSISDBHSA-N 2 0 329.488 3.247 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cnnn1-c1ccccc1 ZINC000924524382 1323042732 /nfs/dbraw/zinc/04/27/32/1323042732.db2.gz AJAHFRVSROHSAD-IAGOWNOFSA-N 2 0 329.492 3.428 20 0 EGADRP COc1ccc(CC[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1OC ZINC000924529720 1323044028 /nfs/dbraw/zinc/04/40/28/1323044028.db2.gz WLEHFOHQLIXTPK-UHFFFAOYSA-N 2 0 334.504 3.346 20 0 EGADRP Cc1nc2ccccc2n1CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924582343 1323062241 /nfs/dbraw/zinc/06/22/41/1323062241.db2.gz QGEUWGQEADKYNU-UHFFFAOYSA-N 2 0 328.504 3.445 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1CN1CCSCC1 ZINC000931171497 1329066066 /nfs/dbraw/zinc/06/60/66/1329066066.db2.gz IUANDABWMKRZLN-GOSISDBHSA-N 2 0 347.528 3.047 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024008169 1323077150 /nfs/dbraw/zinc/07/71/50/1323077150.db2.gz CJOMDHWVVXNGQF-MRXNPFEDSA-N 2 0 349.544 3.052 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024024072 1323081512 /nfs/dbraw/zinc/08/15/12/1323081512.db2.gz SLFGCQIYAMZZPH-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CC1(C)OC[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000851799114 1323089713 /nfs/dbraw/zinc/08/97/13/1323089713.db2.gz PHIZLZYQQLQMBG-PZJWPPBQSA-N 2 0 344.499 3.126 20 0 EGADRP CC1(C)OC[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000851799115 1323091043 /nfs/dbraw/zinc/09/10/43/1323091043.db2.gz PHIZLZYQQLQMBG-TZIWHRDSSA-N 2 0 344.499 3.126 20 0 EGADRP Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924732483 1323138892 /nfs/dbraw/zinc/13/88/92/1323138892.db2.gz XJDCPVUUVDTLRQ-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP COc1ccc(OC)c(CC[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000924825539 1323178194 /nfs/dbraw/zinc/17/81/94/1323178194.db2.gz MNHJECJTOUCUGW-UHFFFAOYSA-N 2 0 334.504 3.346 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024156404 1323178604 /nfs/dbraw/zinc/17/86/04/1323178604.db2.gz MWNFOTBRGYSTHZ-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C(=O)NCc1ccccc1 ZINC000924825094 1323178900 /nfs/dbraw/zinc/17/89/00/1323178900.db2.gz BJAYETVYEMWERX-IAGOWNOFSA-N 2 0 339.483 3.104 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000924844826 1323183867 /nfs/dbraw/zinc/18/38/67/1323183867.db2.gz BKKDFUJUAARMHB-MRXNPFEDSA-N 2 0 327.476 3.182 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924958706 1323228721 /nfs/dbraw/zinc/22/87/21/1323228721.db2.gz GJSNVVSDDAHGBY-IAGOWNOFSA-N 2 0 327.476 3.038 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000924959916 1323229136 /nfs/dbraw/zinc/22/91/36/1323229136.db2.gz MSSKCMKPFFZSRG-HXUWFJFHSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1csc2ccccc21 ZINC000924966345 1323232198 /nfs/dbraw/zinc/23/21/98/1323232198.db2.gz SMALOBFXDJSKDV-CABCVRRESA-N 2 0 345.512 3.139 20 0 EGADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ncccc1Cl ZINC000925023703 1323247814 /nfs/dbraw/zinc/24/78/14/1323247814.db2.gz PGLIVTRVLOYBQQ-DOTOQJQBSA-N 2 0 339.911 3.403 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC1CCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479734 1323433660 /nfs/dbraw/zinc/43/36/60/1323433660.db2.gz OHMIDTDROYUEEA-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024522571 1323470362 /nfs/dbraw/zinc/47/03/62/1323470362.db2.gz GUYUNSNIAIFWBO-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024570677 1323508523 /nfs/dbraw/zinc/50/85/23/1323508523.db2.gz NGGSZKBQXXFEQU-IBGZPJMESA-N 2 0 345.531 3.175 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC=C(C)C)C1 ZINC001024614930 1323542475 /nfs/dbraw/zinc/54/24/75/1323542475.db2.gz LOZYTCFGCJFSDF-RTBURBONSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC(C)C)C1 ZINC001024614057 1323543050 /nfs/dbraw/zinc/54/30/50/1323543050.db2.gz FOVCXCLDZKZEOI-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811309 1323713373 /nfs/dbraw/zinc/71/33/73/1323713373.db2.gz PPXLEWJAPPWCKP-OALUTQOASA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024814022 1323714894 /nfs/dbraw/zinc/71/48/94/1323714894.db2.gz MATKNWORTLQKCS-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]2C1 ZINC000931429809 1329115549 /nfs/dbraw/zinc/11/55/49/1329115549.db2.gz IPARIYVMEXGKII-UXHICEINSA-N 2 0 349.478 3.322 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)cs1 ZINC001025085063 1323885700 /nfs/dbraw/zinc/88/57/00/1323885700.db2.gz KURMXEFCUJRBGW-MAUKXSAKSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025085559 1323885927 /nfs/dbraw/zinc/88/59/27/1323885927.db2.gz SGMJIWWUUVPGHP-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025168595 1323936685 /nfs/dbraw/zinc/93/66/85/1323936685.db2.gz NXKAXPLZMJECEJ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025168817 1323937892 /nfs/dbraw/zinc/93/78/92/1323937892.db2.gz XSSHRYJWYJGVGS-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259054 1324068783 /nfs/dbraw/zinc/06/87/83/1324068783.db2.gz NDJDLUBJYGWOTI-ROUUACIJSA-N 2 0 335.536 3.116 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001025301716 1324134982 /nfs/dbraw/zinc/13/49/82/1324134982.db2.gz OOCRCHVHGNQCCZ-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025584529 1324426364 /nfs/dbraw/zinc/42/63/64/1324426364.db2.gz IRXDGAJPTSIQBG-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001025630761 1324483040 /nfs/dbraw/zinc/48/30/40/1324483040.db2.gz VRUTXLNJOJSGAQ-IRXDYDNUSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026519910 1324864014 /nfs/dbraw/zinc/86/40/14/1324864014.db2.gz YZCZIRCQMZMAMF-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCCC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001026533858 1324871602 /nfs/dbraw/zinc/87/16/02/1324871602.db2.gz MNQRPIQXNQUOMG-SOAGJPPSSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001026611919 1324932917 /nfs/dbraw/zinc/93/29/17/1324932917.db2.gz OSIRJBVPLCBACQ-UHFFFAOYSA-N 2 0 335.492 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026887866 1325062799 /nfs/dbraw/zinc/06/27/99/1325062799.db2.gz WTQVPJYDOFJYDN-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000925231526 1325089193 /nfs/dbraw/zinc/08/91/93/1325089193.db2.gz FHXSMWMQEDMXCT-RTWAWAEBSA-N 2 0 346.563 3.479 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001026941190 1325093262 /nfs/dbraw/zinc/09/32/62/1325093262.db2.gz BSLGFCLGALLGBU-IAGOWNOFSA-N 2 0 348.450 3.147 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CC[NH2+]C34CCCC4)CC2)cc1F ZINC000925474887 1325166494 /nfs/dbraw/zinc/16/64/94/1325166494.db2.gz SERHPQJXEZFRNX-LJQANCHMSA-N 2 0 349.469 3.194 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000925486580 1325172740 /nfs/dbraw/zinc/17/27/40/1325172740.db2.gz RQDIPSNTHTZWBH-FUUYNRHESA-N 2 0 327.516 3.325 20 0 EGADRP c1ccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc1 ZINC000925495293 1325176264 /nfs/dbraw/zinc/17/62/64/1325176264.db2.gz TWYCLIJLRYKVEG-FGZHOGPDSA-N 2 0 341.543 3.409 20 0 EGADRP c1ccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc1 ZINC000925495299 1325176601 /nfs/dbraw/zinc/17/66/01/1325176601.db2.gz TWYCLIJLRYKVEG-YADHBBJMSA-N 2 0 341.543 3.409 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000925501882 1325181008 /nfs/dbraw/zinc/18/10/08/1325181008.db2.gz FBXAWRDJQCTNMN-SFHVURJKSA-N 2 0 326.440 3.070 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000925530033 1325193933 /nfs/dbraw/zinc/19/39/33/1325193933.db2.gz AVYKJHLEBIUHCK-GIOYIUAESA-N 3 0 333.545 3.066 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631699 1325238933 /nfs/dbraw/zinc/23/89/33/1325238933.db2.gz WPLRNXPEPGPXTD-CSBKYJRVSA-N 2 0 339.886 3.202 20 0 EGADRP FC(F)(F)CN1CCC(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925646804 1325245544 /nfs/dbraw/zinc/24/55/44/1325245544.db2.gz WQJOVMYZHLYJJQ-IRXDYDNUSA-N 2 0 347.469 3.019 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000925652512 1325249459 /nfs/dbraw/zinc/24/94/59/1325249459.db2.gz QJAOTLFHJMVVDO-PHKPGSCCSA-N 2 0 346.490 3.005 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000925806083 1325309254 /nfs/dbraw/zinc/30/92/54/1325309254.db2.gz XSSZHGGVUWZCDS-TZMCWYRMSA-N 2 0 332.414 3.111 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925807985 1325310286 /nfs/dbraw/zinc/31/02/86/1325310286.db2.gz IZWKKHQERWQYMR-QFIPXVFZSA-N 2 0 335.495 3.177 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925846353 1325327179 /nfs/dbraw/zinc/32/71/79/1325327179.db2.gz LZRXYBRVOGTJDX-VQTJNVASSA-N 2 0 344.547 3.081 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963907639 1325430035 /nfs/dbraw/zinc/43/00/35/1325430035.db2.gz FVUHYCMERFQDLX-KKXNLOMOSA-N 2 0 347.547 3.330 20 0 EGADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000964185187 1325486500 /nfs/dbraw/zinc/48/65/00/1325486500.db2.gz MOCFYRLSENIXCC-IPJUCJBFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926288741 1325504984 /nfs/dbraw/zinc/50/49/84/1325504984.db2.gz YOBHYZHTBYANSD-IAGOWNOFSA-N 2 0 334.504 3.066 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000964437027 1325525169 /nfs/dbraw/zinc/52/51/69/1325525169.db2.gz JUMVPTJOLLYUNO-ACBHZAAOSA-N 2 0 335.536 3.020 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC[NH+](C)CC1 ZINC000926447356 1325557976 /nfs/dbraw/zinc/55/79/76/1325557976.db2.gz AYWGVFOQXXEJOL-PKOBYXMFSA-N 2 0 347.572 3.066 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857140682 1325579165 /nfs/dbraw/zinc/57/91/65/1325579165.db2.gz BGYRMROJVQGXSR-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001027418217 1327643052 /nfs/dbraw/zinc/64/30/52/1327643052.db2.gz UOZWZPKEDABQRN-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000926776442 1327711347 /nfs/dbraw/zinc/71/13/47/1327711347.db2.gz AQQXOOLRDXEIBL-BXWFABGCSA-N 2 0 325.456 3.206 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000926791251 1327719588 /nfs/dbraw/zinc/71/95/88/1327719588.db2.gz QCKOVUXMOFPYJO-VQTJNVASSA-N 2 0 332.536 3.231 20 0 EGADRP CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000927065674 1327837523 /nfs/dbraw/zinc/83/75/23/1327837523.db2.gz IYKPSALGPSNIIQ-OXJNMPFZSA-N 2 0 344.503 3.408 20 0 EGADRP Cc1ccc(NCC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)nc1 ZINC000927073670 1327843266 /nfs/dbraw/zinc/84/32/66/1327843266.db2.gz NLGIAKZSMZJQTB-KRWDZBQOSA-N 2 0 342.487 3.093 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577093 1327915232 /nfs/dbraw/zinc/91/52/32/1327915232.db2.gz DLBPEGSTILXDFR-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682853 1328080267 /nfs/dbraw/zinc/08/02/67/1328080267.db2.gz YESINBQORMBRCH-VQTJNVASSA-N 2 0 343.515 3.156 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027694023 1328100480 /nfs/dbraw/zinc/10/04/80/1328100480.db2.gz PBAJKVYPZVDPOL-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC3CC3)C2)o1 ZINC001027699871 1328113909 /nfs/dbraw/zinc/11/39/09/1328113909.db2.gz LIYDIWYGRWLBCY-QGZVFWFLSA-N 2 0 347.503 3.068 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000966074538 1328170361 /nfs/dbraw/zinc/17/03/61/1328170361.db2.gz IJBZVOHWTALXGH-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027878852 1328345259 /nfs/dbraw/zinc/34/52/59/1328345259.db2.gz JGTAMKWMWJXHLG-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885414 1328350945 /nfs/dbraw/zinc/35/09/45/1328350945.db2.gz DYANVOVDUKDYKI-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001027924046 1328402691 /nfs/dbraw/zinc/40/26/91/1328402691.db2.gz CILZUNADAHTQQK-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027973013 1328447521 /nfs/dbraw/zinc/44/75/21/1328447521.db2.gz ZYXREMYDAMKCAT-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027986220 1328458030 /nfs/dbraw/zinc/45/80/30/1328458030.db2.gz URMYUPRPIUFIAZ-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001027992547 1328460032 /nfs/dbraw/zinc/46/00/32/1328460032.db2.gz CGOPPKKOKKDCGX-IBGZPJMESA-N 2 0 345.531 3.086 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001028003268 1328464644 /nfs/dbraw/zinc/46/46/44/1328464644.db2.gz LYZQHAFGGFPEFB-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000862483286 1329490045 /nfs/dbraw/zinc/49/00/45/1329490045.db2.gz RZYJIYOAHHCODC-CGZBRXJRSA-N 2 0 339.524 3.001 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]Cc2cccnc2Br)CC1 ZINC000865414485 1329693636 /nfs/dbraw/zinc/69/36/36/1329693636.db2.gz DDTAKTYMVXNWTE-UHFFFAOYSA-N 2 0 340.309 3.446 20 0 EGADRP CN(C)c1ccc(F)cc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000865417331 1329694308 /nfs/dbraw/zinc/69/43/08/1329694308.db2.gz HFLHWRWSSZPCMI-UHFFFAOYSA-N 2 0 345.462 3.122 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000865417271 1329694451 /nfs/dbraw/zinc/69/44/51/1329694451.db2.gz FEIYSLPASVTTII-GOSISDBHSA-N 2 0 347.503 3.143 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccc(OC(C)(C)C)c3)C2)CC1 ZINC000865459705 1329700215 /nfs/dbraw/zinc/70/02/15/1329700215.db2.gz BDKZFTHWXHHUDJ-SFHVURJKSA-N 2 0 345.531 3.122 20 0 EGADRP COC(C)(C)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000865755659 1329735272 /nfs/dbraw/zinc/73/52/72/1329735272.db2.gz AZVWRAYMDFOCSF-UHFFFAOYSA-N 2 0 333.520 3.122 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666321 1330139553 /nfs/dbraw/zinc/13/95/53/1330139553.db2.gz QJHQBJPTRMNOOH-JENIJYKNSA-N 2 0 329.488 3.034 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000939137247 1330384191 /nfs/dbraw/zinc/38/41/91/1330384191.db2.gz GCLYABZDPKBWNN-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CCCCC3)[C@@H](C)C2)CC1 ZINC000939446550 1330437524 /nfs/dbraw/zinc/43/75/24/1330437524.db2.gz FHSUYIXJXUCLAJ-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCCC1 ZINC000940747855 1331177523 /nfs/dbraw/zinc/17/75/23/1331177523.db2.gz PYPVXADDEFACNP-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093889 1331330030 /nfs/dbraw/zinc/33/00/30/1331330030.db2.gz UTUPFCBVFIIWBY-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256334 1331890361 /nfs/dbraw/zinc/89/03/61/1331890361.db2.gz DMBRKJFEYQRWPQ-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518505 1331950437 /nfs/dbraw/zinc/95/04/37/1331950437.db2.gz SMEVPVLDIOFPIK-DNVCBOLYSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558552 1331973000 /nfs/dbraw/zinc/97/30/00/1331973000.db2.gz YFYTXWIEQZADGF-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821119 1332042336 /nfs/dbraw/zinc/04/23/36/1332042336.db2.gz BSXIIMKUCUXFOA-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586636 1332858299 /nfs/dbraw/zinc/85/82/99/1332858299.db2.gz QEFJOLBNQKRYFF-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946615556 1332863567 /nfs/dbraw/zinc/86/35/67/1332863567.db2.gz NYEIHQUCBIVDCN-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631448 1332866379 /nfs/dbraw/zinc/86/63/79/1332866379.db2.gz IHVODWBBEGZXMC-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C(C)C)C[C@H]2CC1 ZINC000946856920 1332917287 /nfs/dbraw/zinc/91/72/87/1332917287.db2.gz UIJYPSVZIWUFAI-ZCNNSNEGSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947309866 1333084491 /nfs/dbraw/zinc/08/44/91/1333084491.db2.gz IIXCNSLYPUFVRT-ZWKOTPCHSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000947615363 1333193388 /nfs/dbraw/zinc/19/33/88/1333193388.db2.gz ICWRHJSATVJRGL-HKUYNNGSSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947615830 1333194151 /nfs/dbraw/zinc/19/41/51/1333194151.db2.gz LSMACOHJKQDSEK-WMZOPIPTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1=CCCCC1 ZINC000947780190 1333259632 /nfs/dbraw/zinc/25/96/32/1333259632.db2.gz XGZUVWRVPZIQCK-FXAWDEMLSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881876 1333289621 /nfs/dbraw/zinc/28/96/21/1333289621.db2.gz KNCWPAWZUHMWEY-PKOBYXMFSA-N 2 0 335.536 3.042 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC000948065474 1333361404 /nfs/dbraw/zinc/36/14/04/1333361404.db2.gz JVKZJXQCTSWWAO-COXPPRJISA-N 2 0 349.906 3.083 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000948245210 1333439465 /nfs/dbraw/zinc/43/94/65/1333439465.db2.gz NFEPGKHGFKWMMF-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948365707 1333496070 /nfs/dbraw/zinc/49/60/70/1333496070.db2.gz RWCHNLIOABWRIS-OALUTQOASA-N 2 0 335.536 3.138 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473956 1333540160 /nfs/dbraw/zinc/54/01/60/1333540160.db2.gz NQQHVRPNZPCFFU-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948552781 1333571444 /nfs/dbraw/zinc/57/14/44/1333571444.db2.gz BLPMVERJZRHNBQ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000948574342 1333582399 /nfs/dbraw/zinc/58/23/99/1333582399.db2.gz FILLMZOSIXEVMO-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575517 1333583206 /nfs/dbraw/zinc/58/32/06/1333583206.db2.gz ZPPZHMVXKYJOGF-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC000948711379 1333643029 /nfs/dbraw/zinc/64/30/29/1333643029.db2.gz PACCPVOXRFPKGN-PMACEKPBSA-N 2 0 349.563 3.388 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC000948765860 1333668678 /nfs/dbraw/zinc/66/86/78/1333668678.db2.gz DKSULBOLKSAWGB-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948775479 1333673948 /nfs/dbraw/zinc/67/39/48/1333673948.db2.gz JOFPUYMYSFJXQU-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000949012074 1333765311 /nfs/dbraw/zinc/76/53/11/1333765311.db2.gz NOLOJXGKPAGJDJ-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC000950367881 1334051618 /nfs/dbraw/zinc/05/16/18/1334051618.db2.gz QIKVJJWUDXHFSO-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)N1CC[NH+](CCC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000951192975 1334203326 /nfs/dbraw/zinc/20/33/26/1334203326.db2.gz ZNEUVKZETIFHJD-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000951200504 1334204554 /nfs/dbraw/zinc/20/45/54/1334204554.db2.gz AFGGCKSUCUSKSB-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000951616432 1334279412 /nfs/dbraw/zinc/27/94/12/1334279412.db2.gz JMYVMFZWABIUOY-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000967265122 1335681356 /nfs/dbraw/zinc/68/13/56/1335681356.db2.gz SINBFNRFWAEWMP-MAUKXSAKSA-N 2 0 342.487 3.211 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3CCCCC3)CC[C@H]2C)CC1 ZINC000968459556 1335931332 /nfs/dbraw/zinc/93/13/32/1335931332.db2.gz MQTKQPKMOMVDKQ-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968850391 1336067555 /nfs/dbraw/zinc/06/75/55/1336067555.db2.gz XTPCNXOMJDJUDY-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858930 1336071025 /nfs/dbraw/zinc/07/10/25/1336071025.db2.gz JZWOTPGHEJAQNG-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC(C)C ZINC000968882436 1336078927 /nfs/dbraw/zinc/07/89/27/1336078927.db2.gz NTTBHHBOCMSOHO-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153588 1336164584 /nfs/dbraw/zinc/16/45/84/1336164584.db2.gz KQFRBZITGFMDOU-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCCC[N@@H+]2CCCF)c1 ZINC000969153303 1336164673 /nfs/dbraw/zinc/16/46/73/1336164673.db2.gz FHZJIGOICROFEA-LJQANCHMSA-N 2 0 349.494 3.082 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000969215880 1336179258 /nfs/dbraw/zinc/17/92/58/1336179258.db2.gz HJSVDHCEXOFBND-FUHWJXTLSA-N 2 0 348.450 3.208 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000969564289 1336224460 /nfs/dbraw/zinc/22/44/60/1336224460.db2.gz OUQQMJPXLORHMP-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC000969706293 1336238520 /nfs/dbraw/zinc/23/85/20/1336238520.db2.gz KNGDURBFOCKOPA-LSTHTHJFSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000970029159 1336272860 /nfs/dbraw/zinc/27/28/60/1336272860.db2.gz XUNILWIIEYUSNC-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970528728 1336317723 /nfs/dbraw/zinc/31/77/23/1336317723.db2.gz JGKCRAJZCMLAFN-XLIONFOSSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCC3CCCC3)C2)CC1 ZINC000970672541 1336331840 /nfs/dbraw/zinc/33/18/40/1336331840.db2.gz MFLCKLOOHBJBJX-KRWDZBQOSA-N 2 0 349.563 3.124 20 0 EGADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005593708 1336376802 /nfs/dbraw/zinc/37/68/02/1336376802.db2.gz SFMNLQNBFAFEDY-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005661977 1336388547 /nfs/dbraw/zinc/38/85/47/1336388547.db2.gz DBCITNFMENIMHT-UHFFFAOYSA-N 2 0 345.531 3.038 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005814847 1336404158 /nfs/dbraw/zinc/40/41/58/1336404158.db2.gz JGPHUMOTTCTRDG-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006083659 1336449245 /nfs/dbraw/zinc/44/92/45/1336449245.db2.gz LLLJQNRAEDJCDD-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006091940 1336451402 /nfs/dbraw/zinc/45/14/02/1336451402.db2.gz RORZTISIVRPKRR-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(C)C)CC1 ZINC001006279815 1336481155 /nfs/dbraw/zinc/48/11/55/1336481155.db2.gz SRORHLYXICBVOF-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](F)C[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006444592 1336507526 /nfs/dbraw/zinc/50/75/26/1336507526.db2.gz WAUCOUVOXGUDOW-QGZVFWFLSA-N 2 0 349.494 3.033 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007457133 1336650078 /nfs/dbraw/zinc/65/00/78/1336650078.db2.gz IORXAIJZAWWIKQ-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001008281855 1336814186 /nfs/dbraw/zinc/81/41/86/1336814186.db2.gz WXPOBSWHXANLTA-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001008541573 1336877798 /nfs/dbraw/zinc/87/77/98/1336877798.db2.gz RLXKEVBCMKRHKB-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001014724854 1337885817 /nfs/dbraw/zinc/88/58/17/1337885817.db2.gz XRFQRZULCHWNBL-MSOLQXFVSA-N 2 0 349.544 3.010 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2=CCCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014724940 1337886721 /nfs/dbraw/zinc/88/67/21/1337886721.db2.gz YBQBLXLYMWWKHR-ICSRJNTNSA-N 2 0 345.531 3.084 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015053822 1338003315 /nfs/dbraw/zinc/00/33/15/1338003315.db2.gz STYISNAXEQCSPX-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710782 1338270571 /nfs/dbraw/zinc/27/05/71/1338270571.db2.gz RTCPHXSNZRXSDX-RBUKOAKNSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796802 1338315739 /nfs/dbraw/zinc/31/57/39/1338315739.db2.gz RAUNPJFLVZOBJB-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016250650 1338524905 /nfs/dbraw/zinc/52/49/05/1338524905.db2.gz DYONKGXIOBAFGX-PXNSSMCTSA-N 2 0 343.515 3.157 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016906577 1338765335 /nfs/dbraw/zinc/76/53/35/1338765335.db2.gz LTKOWJFKGFNUGI-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016982759 1338792011 /nfs/dbraw/zinc/79/20/11/1338792011.db2.gz LEUGEDUJUBMBGH-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001017141759 1338893295 /nfs/dbraw/zinc/89/32/95/1338893295.db2.gz IMIWEMNCNGLSHN-KRWDZBQOSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001017141001 1338894293 /nfs/dbraw/zinc/89/42/93/1338894293.db2.gz BDEYDWSZPMGORD-UYAOXDASSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017152020 1338901572 /nfs/dbraw/zinc/90/15/72/1338901572.db2.gz KDMQYNJCPJLTNZ-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017151964 1338902164 /nfs/dbraw/zinc/90/21/64/1338902164.db2.gz JHYANWJVMIBABJ-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017228934 1338967832 /nfs/dbraw/zinc/96/78/32/1338967832.db2.gz UDBRAOVHRHHUDS-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001028089363 1340418645 /nfs/dbraw/zinc/41/86/45/1340418645.db2.gz ZQHKJRAKQSZIJJ-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001028234857 1340497575 /nfs/dbraw/zinc/49/75/75/1340497575.db2.gz JGAOLSFANLUYNM-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028537699 1340692982 /nfs/dbraw/zinc/69/29/82/1340692982.db2.gz QJXKEZCPSRAUSM-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028537961 1340693260 /nfs/dbraw/zinc/69/32/60/1340693260.db2.gz WKAKSIGQCQDAJR-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028580383 1340713108 /nfs/dbraw/zinc/71/31/08/1340713108.db2.gz VOLAWAGEJDFLDE-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028845588 1340856887 /nfs/dbraw/zinc/85/68/87/1340856887.db2.gz NCNCPAZYPXWIAF-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001028918637 1340883990 /nfs/dbraw/zinc/88/39/90/1340883990.db2.gz KFBYIIBOGAIVCJ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001029135470 1340939654 /nfs/dbraw/zinc/93/96/54/1340939654.db2.gz UCKADOHBEWDSSK-ZWOKBUDYSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029172214 1340948231 /nfs/dbraw/zinc/94/82/31/1340948231.db2.gz AAVBKCRKVWLMMT-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001029173498 1340948545 /nfs/dbraw/zinc/94/85/45/1340948545.db2.gz OPKMSAKYUFJODC-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCCC2)CCC1 ZINC001029337985 1340973947 /nfs/dbraw/zinc/97/39/47/1340973947.db2.gz YUSLSBGMFZLYGN-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001029359510 1340977161 /nfs/dbraw/zinc/97/71/61/1340977161.db2.gz ATVZZYAMLRXZQW-ZCNNSNEGSA-N 2 0 345.531 3.036 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001029550187 1341010715 /nfs/dbraw/zinc/01/07/15/1341010715.db2.gz DDALTRVTIBASAZ-HAGHYFMRSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029738759 1341059343 /nfs/dbraw/zinc/05/93/43/1341059343.db2.gz DCTPMXXEPVZCAX-VQTJNVASSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001029755450 1341064294 /nfs/dbraw/zinc/06/42/94/1341064294.db2.gz NETZQYIHWOPEIQ-ROUUACIJSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001029755116 1341064348 /nfs/dbraw/zinc/06/43/48/1341064348.db2.gz HZUPBYCOLAYRTD-QUCCMNQESA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1)CC1CCCCC1 ZINC001029842635 1341093012 /nfs/dbraw/zinc/09/30/12/1341093012.db2.gz UKVWGKYSUHBQEZ-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)[C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001029996760 1341151393 /nfs/dbraw/zinc/15/13/93/1341151393.db2.gz KYJNCBKHQGSQTA-XLIONFOSSA-N 2 0 345.531 3.258 20 0 EGADRP C[C@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001030002914 1341153723 /nfs/dbraw/zinc/15/37/23/1341153723.db2.gz SKHWVTJSCWLBJB-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001030442004 1341187665 /nfs/dbraw/zinc/18/76/65/1341187665.db2.gz JTYCKKFEJGFEAV-IBGZPJMESA-N 2 0 349.563 3.266 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031766737 1341399194 /nfs/dbraw/zinc/39/91/94/1341399194.db2.gz MLFIIVOEAYNFRK-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033319370 1341779851 /nfs/dbraw/zinc/77/98/51/1341779851.db2.gz PSGUYPQFGBLKLP-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319306 1341779995 /nfs/dbraw/zinc/77/99/95/1341779995.db2.gz PFIFWZUHAUZAAR-MJGOQNOKSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033416742 1341821047 /nfs/dbraw/zinc/82/10/47/1341821047.db2.gz RGHXWTVAKFTKFZ-IEBWSBKVSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001033466000 1341836913 /nfs/dbraw/zinc/83/69/13/1341836913.db2.gz BLLWDTXKHBDKKN-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033472655 1341839979 /nfs/dbraw/zinc/83/99/79/1341839979.db2.gz ZRRVAJGLHVMPDP-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033570495 1341878577 /nfs/dbraw/zinc/87/85/77/1341878577.db2.gz AXTNFMNKUCZSKJ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033683546 1341949612 /nfs/dbraw/zinc/94/96/12/1341949612.db2.gz HWPRWNPGXWUNPV-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033927772 1342092171 /nfs/dbraw/zinc/09/21/71/1342092171.db2.gz PDSLRGBBKLAINW-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033933422 1342096313 /nfs/dbraw/zinc/09/63/13/1342096313.db2.gz BPQRMJKKMSQDFI-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034211511 1342321281 /nfs/dbraw/zinc/32/12/81/1342321281.db2.gz NLPOCUIIJDWHKO-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034212977 1342322221 /nfs/dbraw/zinc/32/22/21/1342322221.db2.gz SOAFPXIHLQRSPC-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034238481 1342339255 /nfs/dbraw/zinc/33/92/55/1342339255.db2.gz CQMKEOMYQIFZID-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034239205 1342340097 /nfs/dbraw/zinc/34/00/97/1342340097.db2.gz JBAWOOALEWJISB-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034271519 1342361922 /nfs/dbraw/zinc/36/19/22/1342361922.db2.gz OITRPVWWMQBUTP-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289023 1342375333 /nfs/dbraw/zinc/37/53/33/1342375333.db2.gz RPJFYSQCYMKKHA-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCCC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001034289665 1342375963 /nfs/dbraw/zinc/37/59/63/1342375963.db2.gz AMOADKSSHSCMBF-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308390 1342391522 /nfs/dbraw/zinc/39/15/22/1342391522.db2.gz AXSCTCLXSQGCTP-GOSISDBHSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360473 1342432559 /nfs/dbraw/zinc/43/25/59/1342432559.db2.gz IYCZNPUPWIQNIA-MJGOQNOKSA-N 2 0 335.536 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034367712 1342437587 /nfs/dbraw/zinc/43/75/87/1342437587.db2.gz HIEXWOOFNMSTDB-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001034385361 1342453624 /nfs/dbraw/zinc/45/36/24/1342453624.db2.gz LFNTXAVHATUPKC-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC2)C1 ZINC001034481937 1342538693 /nfs/dbraw/zinc/53/86/93/1342538693.db2.gz XTDVLVYQZBSWDQ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034486763 1342544792 /nfs/dbraw/zinc/54/47/92/1342544792.db2.gz LTDATIBMRPLRHA-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034538313 1342596125 /nfs/dbraw/zinc/59/61/25/1342596125.db2.gz LNTRRPCEONJFRE-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@H+](C/C=C/Cl)C1 ZINC001034543201 1342603286 /nfs/dbraw/zinc/60/32/86/1342603286.db2.gz ZLWJRFRKKHPDTF-VDZSZVPASA-N 2 0 349.906 3.085 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001034682442 1342689909 /nfs/dbraw/zinc/68/99/09/1342689909.db2.gz NPEJBZQBQJALFD-WGSAOQKQSA-N 2 0 347.547 3.212 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)C1 ZINC001034734338 1342728187 /nfs/dbraw/zinc/72/81/87/1342728187.db2.gz ONVRZHGBDSTYRQ-MISYRCLQSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001034974220 1342860460 /nfs/dbraw/zinc/86/04/60/1342860460.db2.gz YUXRETFUVZBFDX-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001034982562 1342864191 /nfs/dbraw/zinc/86/41/91/1342864191.db2.gz XQKSGZGVRPGZDA-CTWPCTMYSA-N 2 0 347.547 3.022 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001035047401 1342897922 /nfs/dbraw/zinc/89/79/22/1342897922.db2.gz CEXBESLBINLKNT-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001035052333 1342899655 /nfs/dbraw/zinc/89/96/55/1342899655.db2.gz KTBKLVFYPGWBBM-QUCCMNQESA-N 2 0 345.531 3.033 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035131542 1342947798 /nfs/dbraw/zinc/94/77/98/1342947798.db2.gz NJXNURIJCIJMNX-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184614 1342998945 /nfs/dbraw/zinc/99/89/45/1342998945.db2.gz FQFNUADDGXIFIQ-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035196828 1343009598 /nfs/dbraw/zinc/00/95/98/1343009598.db2.gz DPNAGRLRIHDUAS-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1 ZINC001035200064 1343013500 /nfs/dbraw/zinc/01/35/00/1343013500.db2.gz WYIIUMUPMFSITQ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035257533 1343084021 /nfs/dbraw/zinc/08/40/21/1343084021.db2.gz WWLZEGUHDOKMRP-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036098971 1343312330 /nfs/dbraw/zinc/31/23/30/1343312330.db2.gz XCAZGPNIPKIGSE-APWZRJJASA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001036429562 1343482338 /nfs/dbraw/zinc/48/23/38/1343482338.db2.gz HRGJIBAOTOMALT-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001036441637 1343490006 /nfs/dbraw/zinc/49/00/06/1343490006.db2.gz YMLSEAIKZYJQEH-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001036441624 1343490012 /nfs/dbraw/zinc/49/00/12/1343490012.db2.gz YMLSEAIKZYJQEH-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036556533 1343552418 /nfs/dbraw/zinc/55/24/18/1343552418.db2.gz MQBAVNDUCJJGSI-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036577332 1343562392 /nfs/dbraw/zinc/56/23/92/1343562392.db2.gz GHTOHZQFJUNJTL-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC(C)(C)C)C2)CC1 ZINC001036836874 1343776453 /nfs/dbraw/zinc/77/64/53/1343776453.db2.gz YVJAMSARZQXRCJ-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001037009642 1343926913 /nfs/dbraw/zinc/92/69/13/1343926913.db2.gz OCXMPQXFYXHTSH-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1CC ZINC001037871528 1344153575 /nfs/dbraw/zinc/15/35/75/1344153575.db2.gz CDZULGIDBNUDAF-FUHWJXTLSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1CC ZINC001037887086 1344161977 /nfs/dbraw/zinc/16/19/77/1344161977.db2.gz OJZBQWICDZWRKD-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037951595 1344199947 /nfs/dbraw/zinc/19/99/47/1344199947.db2.gz SRPVGENBCFIMPD-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038241420 1344338936 /nfs/dbraw/zinc/33/89/36/1344338936.db2.gz TXLSYGLKBXMEPC-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCCC2)CC[N@@H+]1C ZINC001038269834 1344350353 /nfs/dbraw/zinc/35/03/53/1344350353.db2.gz RSSOWVDRRGTVSN-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCCC2)CC[N@@H+]1C ZINC001038631765 1344512881 /nfs/dbraw/zinc/51/28/81/1344512881.db2.gz VRBGFLXNRWMKMG-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038777857 1344581672 /nfs/dbraw/zinc/58/16/72/1344581672.db2.gz CTDQFCXZEFIOAH-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038908383 1344646205 /nfs/dbraw/zinc/64/62/05/1344646205.db2.gz JGGYUWWHASZJAD-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001039047644 1344732870 /nfs/dbraw/zinc/73/28/70/1344732870.db2.gz FSAVUKMFWOFMOK-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039141135 1344821229 /nfs/dbraw/zinc/82/12/29/1344821229.db2.gz QWUDRSYHRZQMQF-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039313903 1345009689 /nfs/dbraw/zinc/00/96/89/1345009689.db2.gz WRVSGMUWVCTRFK-NXEWRWPSSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039448184 1345072899 /nfs/dbraw/zinc/07/28/99/1345072899.db2.gz ZSBVEFVASVYZCF-AABGKKOBSA-N 2 0 347.547 3.281 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039476228 1345090896 /nfs/dbraw/zinc/09/08/96/1345090896.db2.gz HUXDHDWCOTZWMV-SJORKVTESA-N 2 0 347.503 3.210 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001039490270 1345110587 /nfs/dbraw/zinc/11/05/87/1345110587.db2.gz XTMTUBXHRDBZRF-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(C)C ZINC001039969561 1345271497 /nfs/dbraw/zinc/27/14/97/1345271497.db2.gz MFUHKLKQKKINNO-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199965 1345372493 /nfs/dbraw/zinc/37/24/93/1345372493.db2.gz DHLHVZAQAVWHPP-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040202041 1345373186 /nfs/dbraw/zinc/37/31/86/1345373186.db2.gz PGGLUEMRAYEZSL-FPOVZHCZSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040245843 1345394426 /nfs/dbraw/zinc/39/44/26/1345394426.db2.gz YODIDFASAWOHEJ-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040544862 1345539564 /nfs/dbraw/zinc/53/95/64/1345539564.db2.gz LHXMKKDGYOLOGK-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2)[NH+](C)C ZINC001040744845 1345573423 /nfs/dbraw/zinc/57/34/23/1345573423.db2.gz CTODQZXETIHTFQ-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)CC1 ZINC001040829694 1345583959 /nfs/dbraw/zinc/58/39/59/1345583959.db2.gz FFHZGEDYOJFASR-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336364 1345705666 /nfs/dbraw/zinc/70/56/66/1345705666.db2.gz OKVHYCFOHHTCPL-IBGZPJMESA-N 2 0 349.544 3.004 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537584 1345755139 /nfs/dbraw/zinc/75/51/39/1345755139.db2.gz ZGDUSIVXIUSZLN-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536026 1345755472 /nfs/dbraw/zinc/75/54/72/1345755472.db2.gz LUQDCPLJINHPEX-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C(C)C)C3)C2)o1 ZINC001041852462 1345874089 /nfs/dbraw/zinc/87/40/89/1345874089.db2.gz UHDSRNYGSAWXOW-FQEVSTJZSA-N 2 0 347.503 3.068 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042187098 1345974439 /nfs/dbraw/zinc/97/44/39/1345974439.db2.gz LOSJDEAXEYIFSU-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+]CCCC(C)(C)C)C1CCCCC1 ZINC001131815644 1373819231 /nfs/dbraw/zinc/81/92/31/1373819231.db2.gz NCVSARNICPGYKU-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042254248 1346007279 /nfs/dbraw/zinc/00/72/79/1346007279.db2.gz JOOODYQSCWDYJO-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044184297 1346267842 /nfs/dbraw/zinc/26/78/42/1346267842.db2.gz ZXLYENRLWIUFDK-RTBURBONSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001044681331 1346402517 /nfs/dbraw/zinc/40/25/17/1346402517.db2.gz LSIRVJYNWXEBGH-VQIMIIECSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767445 1346424605 /nfs/dbraw/zinc/42/46/05/1346424605.db2.gz OSTZMKQITJQAIE-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001044778233 1346426486 /nfs/dbraw/zinc/42/64/86/1346426486.db2.gz XWZQDKVAYMYWMF-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044881222 1346453815 /nfs/dbraw/zinc/45/38/15/1346453815.db2.gz UXVMKPLCYMKGJN-WMZOPIPTSA-N 2 0 349.544 3.093 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045092954 1346493475 /nfs/dbraw/zinc/49/34/75/1346493475.db2.gz IFFWBJCPFVVDSK-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)ccc2c[nH+]cn21 ZINC001045100095 1346495263 /nfs/dbraw/zinc/49/52/63/1346495263.db2.gz UTUNREZHJNAYKA-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001045200376 1346528934 /nfs/dbraw/zinc/52/89/34/1346528934.db2.gz WHQYDZQVAZUJOB-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001045229920 1346536234 /nfs/dbraw/zinc/53/62/34/1346536234.db2.gz ZJVXFRANRGFZFI-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001045229864 1346536249 /nfs/dbraw/zinc/53/62/49/1346536249.db2.gz XCLLZVDTXJHTQM-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045270846 1346544777 /nfs/dbraw/zinc/54/47/77/1346544777.db2.gz CVBAOOPJIFEVLI-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045442302 1346594584 /nfs/dbraw/zinc/59/45/84/1346594584.db2.gz REZMTDVGEUVLPN-QGZVFWFLSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CCC(C)C)CC2)C1 ZINC001045531425 1346619332 /nfs/dbraw/zinc/61/93/32/1346619332.db2.gz IHHIJAXHNMZYCD-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2(C)CC[NH+](C/C=C/Cl)CC2)cc1 ZINC001045590246 1346639008 /nfs/dbraw/zinc/63/90/08/1346639008.db2.gz VTODUDHRKUDKLJ-NYYWCZLTSA-N 2 0 349.906 3.085 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001045803484 1346702761 /nfs/dbraw/zinc/70/27/61/1346702761.db2.gz WFBRGEAMFPJQFP-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001045847478 1346720123 /nfs/dbraw/zinc/72/01/23/1346720123.db2.gz HRTDDGCJFLIXFV-RLLQIKCJSA-N 2 0 345.531 3.036 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001045942097 1346777625 /nfs/dbraw/zinc/77/76/25/1346777625.db2.gz REDKZQGFYVJACD-LJQANCHMSA-N 2 0 349.544 3.148 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961095 1346796530 /nfs/dbraw/zinc/79/65/30/1346796530.db2.gz GHTIGJKZXTXMST-FPOVZHCZSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+](CC2=CCCCC2)C1 ZINC001046486140 1346991783 /nfs/dbraw/zinc/99/17/83/1346991783.db2.gz HNRMVSPBUBSUPH-FQEVSTJZSA-N 2 0 338.455 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046562320 1347018166 /nfs/dbraw/zinc/01/81/66/1347018166.db2.gz MJFPXDJRSLLIKL-CTNGQTDRSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047247317 1347272281 /nfs/dbraw/zinc/27/22/81/1347272281.db2.gz FLAHSEYMSYJVDJ-YSIASYRMSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001079687815 1357348487 /nfs/dbraw/zinc/34/84/87/1357348487.db2.gz WQJBDCJLSMXRAT-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001047870112 1347394853 /nfs/dbraw/zinc/39/48/53/1347394853.db2.gz UEDMXPPYIDIVHB-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047989544 1347435733 /nfs/dbraw/zinc/43/57/33/1347435733.db2.gz RRINBOIZSQFLST-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001048005674 1347438497 /nfs/dbraw/zinc/43/84/97/1347438497.db2.gz DIIXGVGZTJNYTO-AZUAARDMSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@H]2C)CC[N@@H+]1C ZINC001079730656 1357360682 /nfs/dbraw/zinc/36/06/82/1357360682.db2.gz HMAUWFWFFUAESV-GSEOLPGOSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543414 1347585836 /nfs/dbraw/zinc/58/58/36/1347585836.db2.gz YBVMAOBPPPTTLA-AKHDSKFASA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048558060 1347591960 /nfs/dbraw/zinc/59/19/60/1347591960.db2.gz WFABYTOMXNALOL-YSTOQKLRSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC001049370616 1347808532 /nfs/dbraw/zinc/80/85/32/1347808532.db2.gz XFLJJWIJJCZMLP-XUVXKRRUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049520216 1347889535 /nfs/dbraw/zinc/88/95/35/1347889535.db2.gz CCMDXZDYHQSVTG-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049524968 1347891926 /nfs/dbraw/zinc/89/19/26/1347891926.db2.gz OTKPUXNDGDRYQG-ZCNNSNEGSA-N 2 0 347.547 3.259 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001049532720 1347895075 /nfs/dbraw/zinc/89/50/75/1347895075.db2.gz JNMVWVYNHIRHDV-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049573289 1347916546 /nfs/dbraw/zinc/91/65/46/1347916546.db2.gz RRYHABZOZGWEHG-OALUTQOASA-N 2 0 340.471 3.059 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820650 1348037568 /nfs/dbraw/zinc/03/75/68/1348037568.db2.gz LPTJMHHISLIPEY-YSIASYRMSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050065657 1348171334 /nfs/dbraw/zinc/17/13/34/1348171334.db2.gz FIGAUGHZWJEQSS-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc([C@H](C)[NH2+]CC)cc2)C1 ZINC001050269945 1348223776 /nfs/dbraw/zinc/22/37/76/1348223776.db2.gz KLIQLBYYLLAWNC-LPHOPBHVSA-N 2 0 331.504 3.095 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001050392685 1348249346 /nfs/dbraw/zinc/24/93/46/1348249346.db2.gz UWOCWHQLPPWFDD-FOUKWCRFSA-N 2 0 349.563 3.173 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050636055 1348309815 /nfs/dbraw/zinc/30/98/15/1348309815.db2.gz ZESFGEHFNSEJPH-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050764417 1348351629 /nfs/dbraw/zinc/35/16/29/1348351629.db2.gz CGRLTQUTZZJCCB-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001051342184 1348438096 /nfs/dbraw/zinc/43/80/96/1348438096.db2.gz UNSORJKPSMGSDP-MISYRCLQSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376040 1348534837 /nfs/dbraw/zinc/53/48/37/1348534837.db2.gz CHAYKUUARGMJIG-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001052377696 1348535615 /nfs/dbraw/zinc/53/56/15/1348535615.db2.gz QBPZLRXCLRUPNB-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)CC[N@@H+]1C ZINC001052390444 1348539009 /nfs/dbraw/zinc/53/90/09/1348539009.db2.gz GEXBTBJSKWBSLD-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448295 1348544644 /nfs/dbraw/zinc/54/46/44/1348544644.db2.gz XBAURIBZSQSNOW-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052499566 1348560312 /nfs/dbraw/zinc/56/03/12/1348560312.db2.gz YHECPJJACGBOCL-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CC2)CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001052651874 1348614424 /nfs/dbraw/zinc/61/44/24/1348614424.db2.gz NYLFSEPXMNBXIJ-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052712513 1348644660 /nfs/dbraw/zinc/64/46/60/1348644660.db2.gz JOZQYBHJUNAYDR-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765467 1348669946 /nfs/dbraw/zinc/66/99/46/1348669946.db2.gz ZYIASDCGMHYMML-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)CC2)cc1 ZINC001052787019 1348679386 /nfs/dbraw/zinc/67/93/86/1348679386.db2.gz GHMZEGYZRJDETA-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857138 1348704338 /nfs/dbraw/zinc/70/43/38/1348704338.db2.gz IMKQOUDQEJJMEX-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934089 1348754346 /nfs/dbraw/zinc/75/43/46/1348754346.db2.gz HRGGHTBQLDPWRW-WOJBJXKFSA-N 2 0 343.515 3.204 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096717 1348926552 /nfs/dbraw/zinc/92/65/52/1348926552.db2.gz YPJATHPPOHWFSU-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(C)C)C3)C2)C1 ZINC001054182929 1349185861 /nfs/dbraw/zinc/18/58/61/1349185861.db2.gz UOIVWNGJNNVRKX-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001054183711 1349186838 /nfs/dbraw/zinc/18/68/38/1349186838.db2.gz OQNGWMDMTXBTLE-TZIWHRDSSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184500 1349187664 /nfs/dbraw/zinc/18/76/64/1349187664.db2.gz FRXJOOHRVKPPKG-ZJOUEHCJSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198291 1349200398 /nfs/dbraw/zinc/20/03/98/1349200398.db2.gz UVPMLNYEQBCWNK-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054244352 1349237453 /nfs/dbraw/zinc/23/74/53/1349237453.db2.gz DHHZVMJGCYPHGN-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054289807 1349294594 /nfs/dbraw/zinc/29/45/94/1349294594.db2.gz RQKDKXWUZOZJNS-PXNSSMCTSA-N 2 0 343.515 3.147 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001082748527 1358086130 /nfs/dbraw/zinc/08/61/30/1358086130.db2.gz PQRUNOYXUKODJF-AHRSYUTCSA-N 2 0 345.531 3.087 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCC1CCCC1 ZINC001071645212 1354824110 /nfs/dbraw/zinc/82/41/10/1354824110.db2.gz HSSLECAZZDOZIR-IEBWSBKVSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1Cc1ccccc1 ZINC001071653041 1354827887 /nfs/dbraw/zinc/82/78/87/1354827887.db2.gz RLCHQYQRGKTODJ-APWZRJJASA-N 2 0 348.450 3.117 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702086 1354861138 /nfs/dbraw/zinc/86/11/38/1354861138.db2.gz SYMSOWYRDJGPEF-PKOBYXMFSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCC(C)(C)C ZINC001071821062 1354961329 /nfs/dbraw/zinc/96/13/29/1354961329.db2.gz ITGYNXAUTVRFMK-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1CCCCC1 ZINC001071821645 1354963040 /nfs/dbraw/zinc/96/30/40/1354963040.db2.gz ROVJYVUFIWPGJA-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071897850 1355012692 /nfs/dbraw/zinc/01/26/92/1355012692.db2.gz QDQYRDOYQBNIKE-YLJYHZDGSA-N 2 0 345.531 3.377 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001071954571 1355041365 /nfs/dbraw/zinc/04/13/65/1355041365.db2.gz QWGRFCWMSVFKCK-FXAWDEMLSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCCC1CCCC1 ZINC001072081380 1355118963 /nfs/dbraw/zinc/11/89/63/1355118963.db2.gz KRKXHMQOSMOKMF-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074684286 1356223504 /nfs/dbraw/zinc/22/35/04/1356223504.db2.gz KIGJPOBWOOEUAJ-SXLOBPIMSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C)c1 ZINC001074687073 1356224661 /nfs/dbraw/zinc/22/46/61/1356224661.db2.gz PTUFAVQEYPZRBQ-ZWOKBUDYSA-N 2 0 343.515 3.119 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)c1ccc(Cl)cc1 ZINC001075110896 1356310608 /nfs/dbraw/zinc/31/06/08/1356310608.db2.gz DCISIBPMQJZRCO-VKJFTORMSA-N 2 0 349.906 3.076 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461305 1356394841 /nfs/dbraw/zinc/39/48/41/1356394841.db2.gz CCOIVNAMNFTYQB-QUCCMNQESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC(C)C ZINC001099297422 1363737178 /nfs/dbraw/zinc/73/71/78/1363737178.db2.gz GIUNBOJTJNMVKD-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001080998868 1357776918 /nfs/dbraw/zinc/77/69/18/1357776918.db2.gz QPPXPLKIKLGQGU-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CCCC1CCCC1 ZINC001183398865 1387306742 /nfs/dbraw/zinc/30/67/42/1387306742.db2.gz KGFBSCFBLOMQNR-WIYYLYMNSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001082944382 1358106873 /nfs/dbraw/zinc/10/68/73/1358106873.db2.gz RXJGJRSFAOKKEU-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)c1ccccc1 ZINC001082942771 1358107130 /nfs/dbraw/zinc/10/71/30/1358107130.db2.gz UTDACHDCRFURMU-WSTZPKSXSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958120 1358354715 /nfs/dbraw/zinc/35/47/15/1358354715.db2.gz MFAGEQIOHGRFNZ-AQNXPRMDSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085196878 1358431468 /nfs/dbraw/zinc/43/14/68/1358431468.db2.gz RCXINSVUINSPKL-KURKYZTESA-N 2 0 349.544 3.138 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001085778789 1358753906 /nfs/dbraw/zinc/75/39/06/1358753906.db2.gz HJDCFWFYMXHVQB-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086105390 1358998839 /nfs/dbraw/zinc/99/88/39/1358998839.db2.gz LSRJNHBMKDEUSA-AQNXPRMDSA-N 2 0 349.563 3.029 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001086118451 1359001315 /nfs/dbraw/zinc/00/13/15/1359001315.db2.gz AGLVOUGKYLIKEH-ZGXWSNOMSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086364478 1359078676 /nfs/dbraw/zinc/07/86/76/1359078676.db2.gz GSGXMBDJKHNYJN-HNBVOPMISA-N 2 0 343.515 3.105 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086402134 1359087842 /nfs/dbraw/zinc/08/78/42/1359087842.db2.gz IZIFATPUVXVUOD-SOAMZJECSA-N 2 0 343.515 3.025 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086456147 1359102513 /nfs/dbraw/zinc/10/25/13/1359102513.db2.gz SLYZUPKBDREZMT-QWFCFKBJSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086456149 1359102535 /nfs/dbraw/zinc/10/25/35/1359102535.db2.gz SMKGIDZKYFMUHZ-VAMGGRTRSA-N 2 0 347.547 3.093 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001086457844 1359103161 /nfs/dbraw/zinc/10/31/61/1359103161.db2.gz RVSSHZOHFRZWOO-LEAZDLGRSA-N 2 0 347.547 3.092 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086477853 1359113988 /nfs/dbraw/zinc/11/39/88/1359113988.db2.gz ASVRKZPHANJVDX-LEAZDLGRSA-N 2 0 349.563 3.029 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086530970 1359134136 /nfs/dbraw/zinc/13/41/36/1359134136.db2.gz ZSSGFMLVTRQDEJ-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086533497 1359134713 /nfs/dbraw/zinc/13/47/13/1359134713.db2.gz NVFCVWOQLGAVJN-LWYYNNOASA-N 2 0 347.547 3.092 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086534160 1359135353 /nfs/dbraw/zinc/13/53/53/1359135353.db2.gz SIRMINBPTABSSD-WTGUMLROSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926013 1359251150 /nfs/dbraw/zinc/25/11/50/1359251150.db2.gz NGBNICPOENNTIR-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926012 1359251287 /nfs/dbraw/zinc/25/12/87/1359251287.db2.gz NGBNICPOENNTIR-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942098 1359263482 /nfs/dbraw/zinc/26/34/82/1359263482.db2.gz IWXPVYMILKULLD-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC(C)C)CC2)[NH+](C)C ZINC001086942820 1359264307 /nfs/dbraw/zinc/26/43/07/1359264307.db2.gz BMTGQOLWLBSYFI-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CC2CCCCCC2)CC1)[NH+]1CCCCCC1 ZINC001323553903 1387386533 /nfs/dbraw/zinc/38/65/33/1387386533.db2.gz BPBPZFOCZSDEBV-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC=C(C)C)[C@@H]2CC)C1 ZINC001087696767 1359596673 /nfs/dbraw/zinc/59/66/73/1359596673.db2.gz LSZWWQXATSQHRT-CEXWTWQISA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CCC1CC1 ZINC001087749261 1359626326 /nfs/dbraw/zinc/62/63/26/1359626326.db2.gz BTEMCIKYFUZNJH-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCCCCC1 ZINC001087796488 1359650958 /nfs/dbraw/zinc/65/09/58/1359650958.db2.gz BXMMQZMLURHTBN-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCC(C)C ZINC001087838710 1359672843 /nfs/dbraw/zinc/67/28/43/1359672843.db2.gz REHJCECZSNFBBU-VQTJNVASSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840551 1359673462 /nfs/dbraw/zinc/67/34/62/1359673462.db2.gz CHJKHFJIZXUJGT-YTQUADARSA-N 2 0 349.494 3.079 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCCC1CCC1 ZINC001087840880 1359675610 /nfs/dbraw/zinc/67/56/10/1359675610.db2.gz RYNUYPVOFLVTOR-ZCNNSNEGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966583 1359721128 /nfs/dbraw/zinc/72/11/28/1359721128.db2.gz KNKGZADINDEUAV-QRVBRYPASA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc2c[nH+]cn21 ZINC001323657152 1387416971 /nfs/dbraw/zinc/41/69/71/1387416971.db2.gz WMWNCKXNTJMLHP-RKVPGOIHSA-N 2 0 340.471 3.120 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088280295 1359825327 /nfs/dbraw/zinc/82/53/27/1359825327.db2.gz NNPDHTGYQNLETM-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327333 1359831381 /nfs/dbraw/zinc/83/13/81/1359831381.db2.gz LCXFVYZSNFJWAD-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088708377 1360017580 /nfs/dbraw/zinc/01/75/80/1360017580.db2.gz RDPGTIFMRMQVNL-UZLBHIALSA-N 2 0 348.450 3.036 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088898559 1360097910 /nfs/dbraw/zinc/09/79/10/1360097910.db2.gz KPGXGZCIRZRNOU-NZSAHSFTSA-N 2 0 349.563 3.265 20 0 EGADRP CCC[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001323736537 1387437709 /nfs/dbraw/zinc/43/77/09/1387437709.db2.gz RECJRTBMQBOGHM-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(C(C)C)n1 ZINC001323738499 1387438833 /nfs/dbraw/zinc/43/88/33/1387438833.db2.gz AFHMMGOZIDWXCH-KRWDZBQOSA-N 2 0 338.565 3.114 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001184412609 1387453286 /nfs/dbraw/zinc/45/32/86/1387453286.db2.gz UPBNRPFBGHIXEA-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001184412612 1387453327 /nfs/dbraw/zinc/45/33/27/1387453327.db2.gz UPBNRPFBGHIXEA-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446638 1360435844 /nfs/dbraw/zinc/43/58/44/1360435844.db2.gz YNBNLHHDFTZHLM-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)CC1 ZINC001089509849 1360481430 /nfs/dbraw/zinc/48/14/30/1360481430.db2.gz KAFBXKOPPGBRRD-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089517838 1360487125 /nfs/dbraw/zinc/48/71/25/1360487125.db2.gz VWZILIMYSNPZHN-IBGZPJMESA-N 2 0 345.531 3.377 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)CC1 ZINC001089526339 1360490108 /nfs/dbraw/zinc/49/01/08/1360490108.db2.gz ATOTVDPMACUULX-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561972 1360508746 /nfs/dbraw/zinc/50/87/46/1360508746.db2.gz VGAHJEYMMZSUEV-IBGZPJMESA-N 2 0 345.531 3.377 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646032 1360558649 /nfs/dbraw/zinc/55/86/49/1360558649.db2.gz HGICZMXBCRMIGG-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646033 1360559241 /nfs/dbraw/zinc/55/92/41/1360559241.db2.gz HGICZMXBCRMIGG-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649461 1360562812 /nfs/dbraw/zinc/56/28/12/1360562812.db2.gz JIFSYKWJUPZLHD-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)CC1 ZINC001089690122 1360595802 /nfs/dbraw/zinc/59/58/02/1360595802.db2.gz LDYYRIMRQDBDSO-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001091037767 1360983794 /nfs/dbraw/zinc/98/37/94/1360983794.db2.gz YTGKCUXWQKQLNN-JYPHPWERSA-N 2 0 349.563 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091059157 1360987486 /nfs/dbraw/zinc/98/74/86/1360987486.db2.gz FQISUIWKNHPFTE-MHJFOBGBSA-N 2 0 347.547 3.236 20 0 EGADRP O=C(NCC1CC([NH2+]CCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001091143841 1360997860 /nfs/dbraw/zinc/99/78/60/1360997860.db2.gz CQWKAHHNWVUSOC-UHFFFAOYSA-N 2 0 340.471 3.013 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001324083676 1387534178 /nfs/dbraw/zinc/53/41/78/1387534178.db2.gz XIQBEQPWLGHHBN-PKOBYXMFSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094497229 1361830572 /nfs/dbraw/zinc/83/05/72/1361830572.db2.gz PLPVDQUEPSWLAP-QKNQBKEWSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001095405063 1362129948 /nfs/dbraw/zinc/12/99/48/1362129948.db2.gz MIJJNIFHXABHIP-FUMNGEBKSA-N 2 0 347.547 3.161 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)CC[N@@H+]1C ZINC001095438928 1362140847 /nfs/dbraw/zinc/14/08/47/1362140847.db2.gz RNONTCIWPYPRRZ-XLSIIYIISA-N 2 0 347.547 3.019 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001096012756 1362333777 /nfs/dbraw/zinc/33/37/77/1362333777.db2.gz YIYCUMUXQYPCJH-LMCOJAPRSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097176932 1362874641 /nfs/dbraw/zinc/87/46/41/1362874641.db2.gz CCNWSQGLJBHBJO-ZJPYXAASSA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185071928 1387609490 /nfs/dbraw/zinc/60/94/90/1387609490.db2.gz BXYNSGKDHYZJHS-AQIYZVDXSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185170979 1387632482 /nfs/dbraw/zinc/63/24/82/1387632482.db2.gz SIOHPKDKRIMUAE-MSOLQXFVSA-N 2 0 337.552 3.005 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2 ZINC001099026704 1363582491 /nfs/dbraw/zinc/58/24/91/1363582491.db2.gz FLDHGDNOILFGDV-LMNJBCLMSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069981 1363606611 /nfs/dbraw/zinc/60/66/11/1363606611.db2.gz QNSNKMKJCJSYBZ-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC[C@H](C)F ZINC001099131299 1363643350 /nfs/dbraw/zinc/64/33/50/1363643350.db2.gz ZQECGRMTMQCZGV-HOTGVXAUSA-N 2 0 343.531 3.072 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153566 1363659466 /nfs/dbraw/zinc/65/94/66/1363659466.db2.gz MVXGLVYXHIGJMZ-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099198429 1363687569 /nfs/dbraw/zinc/68/75/69/1363687569.db2.gz AQPANSUHLFZNMX-JTHGQSKGSA-N 2 0 337.552 3.291 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099204292 1363691584 /nfs/dbraw/zinc/69/15/84/1363691584.db2.gz YBTNITFYQXRLTQ-OVKVCFKUSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)CC1 ZINC001099258507 1363719382 /nfs/dbraw/zinc/71/93/82/1363719382.db2.gz RPCVINOHXYNNIM-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C/C=C\Cl ZINC001099320247 1363747935 /nfs/dbraw/zinc/74/79/35/1363747935.db2.gz HRUVEGOBXMYULC-DIEDAUMRSA-N 2 0 343.943 3.078 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354290 1363768349 /nfs/dbraw/zinc/76/83/49/1363768349.db2.gz QHUQJTDEEUJIRH-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319326 1364079259 /nfs/dbraw/zinc/07/92/59/1364079259.db2.gz HRKCZMNRRDNQEE-OLFFVLKBSA-N 2 0 335.536 3.090 20 0 EGADRP CC[C@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001100407773 1364104797 /nfs/dbraw/zinc/10/47/97/1364104797.db2.gz JAESRCBSYSQBRR-NLPFYKDJSA-N 2 0 343.515 3.106 20 0 EGADRP C[N@H+](CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC001100411689 1364105455 /nfs/dbraw/zinc/10/54/55/1364105455.db2.gz NHKGREQAJZKTRO-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100419616 1364108544 /nfs/dbraw/zinc/10/85/44/1364108544.db2.gz ZRHANSGTJPFQKA-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480441 1364129781 /nfs/dbraw/zinc/12/97/81/1364129781.db2.gz SSJSGQCUFGMVDZ-KLHKWILBSA-N 2 0 342.487 3.115 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100538386 1364151286 /nfs/dbraw/zinc/15/12/86/1364151286.db2.gz ROQSTZHSOLYFPJ-SREVYHEPSA-N 2 0 349.563 3.482 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100538061 1364151335 /nfs/dbraw/zinc/15/13/35/1364151335.db2.gz BGQWFCMEQNRNJW-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001100562377 1364163621 /nfs/dbraw/zinc/16/36/21/1364163621.db2.gz KTKSDRVXMRTIIR-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729726 1364238367 /nfs/dbraw/zinc/23/83/67/1364238367.db2.gz LIEABWRZTWTKMM-MZCYRKOTSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100729718 1364238405 /nfs/dbraw/zinc/23/84/05/1364238405.db2.gz LECDMGOEGTXYES-ABHNRTSZSA-N 2 0 337.552 3.170 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100731981 1364239573 /nfs/dbraw/zinc/23/95/73/1364239573.db2.gz OEYGJIQYQLXCLM-IZGDBNJFSA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100732260 1364239829 /nfs/dbraw/zinc/23/98/29/1364239829.db2.gz ZLYPODTXFJQEJH-MCHBXGQCSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001100850079 1364291170 /nfs/dbraw/zinc/29/11/70/1364291170.db2.gz NYQWAQCWHOWWBB-UHFFFAOYSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cc(C)ccc2C)C1 ZINC001100896814 1364319827 /nfs/dbraw/zinc/31/98/27/1364319827.db2.gz MBUFHLIPJUIWMG-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001101066838 1364398074 /nfs/dbraw/zinc/39/80/74/1364398074.db2.gz MLXRWELVQBFZDE-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102104162 1364859217 /nfs/dbraw/zinc/85/92/17/1364859217.db2.gz IOZVRIJDOISCLE-KZNAEPCWSA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)[C@]1(CO)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001324633785 1387710577 /nfs/dbraw/zinc/71/05/77/1387710577.db2.gz KVLHOKFDLOEKAU-OAQYLSRUSA-N 2 0 332.532 3.485 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648871 1387717493 /nfs/dbraw/zinc/71/74/93/1387717493.db2.gz XEKMZXQRJFZJMF-FXAWDEMLSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102475418 1365075866 /nfs/dbraw/zinc/07/58/66/1365075866.db2.gz NQDZSWJQAIZCMQ-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001102507814 1365092012 /nfs/dbraw/zinc/09/20/12/1365092012.db2.gz PVQGXXSRKYJKHC-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102524641 1365099458 /nfs/dbraw/zinc/09/94/58/1365099458.db2.gz PDUFYNRNABPRHC-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977037 1365324606 /nfs/dbraw/zinc/32/46/06/1365324606.db2.gz JXGZYNJVPOCBIV-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060568 1365359918 /nfs/dbraw/zinc/35/99/18/1365359918.db2.gz SXMYTTCGFGLPCY-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089905 1365375735 /nfs/dbraw/zinc/37/57/35/1365375735.db2.gz FYXYBPVIJGUOKF-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103149870 1365410937 /nfs/dbraw/zinc/41/09/37/1365410937.db2.gz OXESIYNMXKQHOP-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103543945 1365624719 /nfs/dbraw/zinc/62/47/19/1365624719.db2.gz AYQOBOKQLGZBHO-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001324740568 1387758779 /nfs/dbraw/zinc/75/87/79/1387758779.db2.gz HTEPVANCWHPWHV-OAQYLSRUSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001103663421 1365711695 /nfs/dbraw/zinc/71/16/95/1365711695.db2.gz AFKYHOGDLHTTBO-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753482 1365765198 /nfs/dbraw/zinc/76/51/98/1365765198.db2.gz KROOPMCNNHXZIS-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001104322496 1365980179 /nfs/dbraw/zinc/98/01/79/1365980179.db2.gz NQUBBDJLQNCHSU-KURKYZTESA-N 2 0 339.568 3.083 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104385271 1365997568 /nfs/dbraw/zinc/99/75/68/1365997568.db2.gz LJQOKULMAFLZSS-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001104598792 1366095406 /nfs/dbraw/zinc/09/54/06/1366095406.db2.gz CAXBITAGPCVWHL-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676346 1366127225 /nfs/dbraw/zinc/12/72/25/1366127225.db2.gz GBJSUFGRPSLVCP-VMASUYHGSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001105014511 1366274816 /nfs/dbraw/zinc/27/48/16/1366274816.db2.gz SYYVMXRDIFKHRV-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396729 1366445056 /nfs/dbraw/zinc/44/50/56/1366445056.db2.gz UABKMPBPNDJZKA-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)CCC1 ZINC001105546966 1366523493 /nfs/dbraw/zinc/52/34/93/1366523493.db2.gz WDOMLKGDUIYSQU-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105563544 1366532872 /nfs/dbraw/zinc/53/28/72/1366532872.db2.gz PBNBLYOQYKXRLX-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563328 1366532899 /nfs/dbraw/zinc/53/28/99/1366532899.db2.gz JYCCIJHIQNMOQZ-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579746 1366542990 /nfs/dbraw/zinc/54/29/90/1366542990.db2.gz UNPLEYBQFDGZDQ-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248776 1366633153 /nfs/dbraw/zinc/63/31/53/1366633153.db2.gz YRWBYVZQYHZMIZ-PFRNKHFKSA-N 2 0 349.563 3.005 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106272075 1366639929 /nfs/dbraw/zinc/63/99/29/1366639929.db2.gz RFFKNZWTCKNEON-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324943748 1387838917 /nfs/dbraw/zinc/83/89/17/1387838917.db2.gz LMKGJFJSIZCOKA-FQEVSTJZSA-N 2 0 342.487 3.275 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001107546909 1367037028 /nfs/dbraw/zinc/03/70/28/1367037028.db2.gz SWFDRPXZQMHVOX-FBBABVLZSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552693 1367040022 /nfs/dbraw/zinc/04/00/22/1367040022.db2.gz RTZDMGOQSBFRAB-WIYYLYMNSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001109371389 1367091379 /nfs/dbraw/zinc/09/13/79/1367091379.db2.gz BGFZIEBSKOJVBL-CARIKJKMSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189906123 1367127889 /nfs/dbraw/zinc/12/78/89/1367127889.db2.gz BDIZHLAVFSOWFI-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109463902 1367138539 /nfs/dbraw/zinc/13/85/39/1367138539.db2.gz BWHLEMNYADIAKG-IPDQBPKRSA-N 2 0 335.536 3.185 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001109471732 1367143436 /nfs/dbraw/zinc/14/34/36/1367143436.db2.gz IDVRHSMRZWOOTF-QYZOEREBSA-N 2 0 347.547 3.161 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177269 1367191054 /nfs/dbraw/zinc/19/10/54/1367191054.db2.gz QRXOCFCWVDCPBC-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589988 1367215218 /nfs/dbraw/zinc/21/52/18/1367215218.db2.gz NAITYFFZKCJSGP-SQNIBIBYSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190652761 1367317458 /nfs/dbraw/zinc/31/74/58/1367317458.db2.gz AJOAOSDWWKPIAL-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656326 1367319794 /nfs/dbraw/zinc/31/97/94/1367319794.db2.gz RZSKKJULIYDIMI-MOPGFXCFSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796838 1367328012 /nfs/dbraw/zinc/32/80/12/1367328012.db2.gz ICTRVKKYOVXOPF-YRPNKDGESA-N 2 0 349.563 3.409 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001109856636 1367360655 /nfs/dbraw/zinc/36/06/55/1367360655.db2.gz VNMHATKIUQGJJW-QYZOEREBSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061465 1367413252 /nfs/dbraw/zinc/41/32/52/1367413252.db2.gz KEYRDQOOPPFBGQ-GOSISDBHSA-N 2 0 337.552 3.362 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080010 1367419017 /nfs/dbraw/zinc/41/90/17/1367419017.db2.gz DGLJRXCJCZGZLF-SFHVURJKSA-N 2 0 342.487 3.369 20 0 EGADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001191223781 1367449801 /nfs/dbraw/zinc/44/98/01/1367449801.db2.gz PYHZQOBHIDUDNS-WOJBJXKFSA-N 2 0 338.511 3.416 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC2(CCC2)C1 ZINC001110018002 1367460231 /nfs/dbraw/zinc/46/02/31/1367460231.db2.gz WYABHPMJPQMHKH-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110153976 1367527787 /nfs/dbraw/zinc/52/77/87/1367527787.db2.gz VOZLZNBHNKSGGE-HOJAQTOUSA-N 2 0 343.515 3.274 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108733804 1367564895 /nfs/dbraw/zinc/56/48/95/1367564895.db2.gz HPFZJPLWIAXFSH-FHWLQOOXSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108766503 1367582316 /nfs/dbraw/zinc/58/23/16/1367582316.db2.gz ZEUISVZFQHDBIN-OTWHNJEPSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784716 1367594925 /nfs/dbraw/zinc/59/49/25/1367594925.db2.gz YNMXMTKHHVBMGP-MMLFBZMQSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108800706 1367603983 /nfs/dbraw/zinc/60/39/83/1367603983.db2.gz LNNGBCSZWJPZDT-GPXQEHKYSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCC(C)(C)C)C2)C1 ZINC001191923104 1367641353 /nfs/dbraw/zinc/64/13/53/1367641353.db2.gz QNJHVYQDCCEXPO-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950005 1367647875 /nfs/dbraw/zinc/64/78/75/1367647875.db2.gz SEFOGZZNDSMZRT-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192907274 1367901385 /nfs/dbraw/zinc/90/13/85/1367901385.db2.gz VGCFKWAQOYJDOC-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661502 1367903723 /nfs/dbraw/zinc/90/37/23/1367903723.db2.gz VTJASIWYVFNGHO-NMLBUPMWSA-N 2 0 349.563 3.122 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)C(C)C ZINC001192918193 1367905014 /nfs/dbraw/zinc/90/50/14/1367905014.db2.gz YGFKSCRZVCQILG-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1)C(C)C ZINC001192923930 1367905414 /nfs/dbraw/zinc/90/54/14/1367905414.db2.gz QKTFWVHNCNTUGT-PMACEKPBSA-N 2 0 349.563 3.386 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001110738711 1367955538 /nfs/dbraw/zinc/95/55/38/1367955538.db2.gz POZYOSQIBRUTRQ-KURKYZTESA-N 2 0 335.536 3.019 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754220 1367961894 /nfs/dbraw/zinc/96/18/94/1367961894.db2.gz JRQFVWISBMPKPP-MVUOPPMJSA-N 2 0 347.547 3.185 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204249 1367966206 /nfs/dbraw/zinc/96/62/06/1367966206.db2.gz DHMBYEHZJPSIEJ-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001193424783 1368027172 /nfs/dbraw/zinc/02/71/72/1368027172.db2.gz PAPSDZFQRRVJAX-QZTJIDSGSA-N 2 0 343.531 3.169 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001193424473 1368027509 /nfs/dbraw/zinc/02/75/09/1368027509.db2.gz MNCFJFGGEGUTRV-ROUUACIJSA-N 2 0 343.531 3.169 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001193423931 1368027619 /nfs/dbraw/zinc/02/76/19/1368027619.db2.gz HVSAIDKHSYZQQN-RTBURBONSA-N 2 0 339.568 3.467 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1)C1CCCCC1 ZINC001110857517 1368037630 /nfs/dbraw/zinc/03/76/30/1368037630.db2.gz FPBHHQHACMGCNW-AQNXPRMDSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193609783 1368073300 /nfs/dbraw/zinc/07/33/00/1368073300.db2.gz IVKFZNHWAIOYIP-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001193610126 1368073432 /nfs/dbraw/zinc/07/34/32/1368073432.db2.gz LSSGSQULNWFONF-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001193609539 1368073593 /nfs/dbraw/zinc/07/35/93/1368073593.db2.gz CMKLWNLZYXZMCN-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001193610463 1368073820 /nfs/dbraw/zinc/07/38/20/1368073820.db2.gz PIJZHRYTNWVUQN-IRXDYDNUSA-N 2 0 349.494 3.151 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097010 1368157835 /nfs/dbraw/zinc/15/78/35/1368157835.db2.gz GOKZPCBWIXIVLW-CIYDVTBMSA-N 2 0 347.547 3.329 20 0 EGADRP CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194409872 1368255300 /nfs/dbraw/zinc/25/53/00/1368255300.db2.gz QXKVWTYXARXFIA-INIZCTEOSA-N 2 0 335.492 3.068 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415316 1368302875 /nfs/dbraw/zinc/30/28/75/1368302875.db2.gz MBBBKIRAQVPFIX-MKXGPGLRSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467703 1368313061 /nfs/dbraw/zinc/31/30/61/1368313061.db2.gz SJJUBOYRRNPUOW-ZRNYENFQSA-N 2 0 349.563 3.265 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)CC[N@@H+]1C ZINC001111753278 1368443633 /nfs/dbraw/zinc/44/36/33/1368443633.db2.gz ONXDEILKAHACQY-IIMDRIAPSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195853092 1368504296 /nfs/dbraw/zinc/50/42/96/1368504296.db2.gz GSBPWNRKACDPIH-WEPWYQGCSA-N 2 0 347.547 3.142 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908861 1368549259 /nfs/dbraw/zinc/54/92/59/1368549259.db2.gz VNHCNUSNMXIRFV-VSQWLSRBSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163210 1368560244 /nfs/dbraw/zinc/56/02/44/1368560244.db2.gz IXSUXWCPUUGWNK-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201319 1368566739 /nfs/dbraw/zinc/56/67/39/1368566739.db2.gz YETPXCZIXDUFBE-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCc1cccc(C[NH+]2CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC2)c1 ZINC001196348826 1368595333 /nfs/dbraw/zinc/59/53/33/1368595333.db2.gz BORWPASIVDQOOE-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CCC(CC)C[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196657109 1368657413 /nfs/dbraw/zinc/65/74/13/1368657413.db2.gz ZAUQDRKXKVVGTA-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196718301 1368670136 /nfs/dbraw/zinc/67/01/36/1368670136.db2.gz ZEEBRWHEUHVRCA-VOTSOKGWSA-N 2 0 335.536 3.142 20 0 EGADRP C[N@H+](CC(=O)N1CCC[NH+](CC2CCCCC2)CC1)CC(C)(C)C ZINC001197187541 1368761517 /nfs/dbraw/zinc/76/15/17/1368761517.db2.gz IPZAZKLYZFGMSK-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[N@H+](CC(=O)N1CCC[NH+](CCC2CCCC2)CC1)CC(C)(C)C ZINC001197187788 1368761908 /nfs/dbraw/zinc/76/19/08/1368761908.db2.gz MLCDMMFYXJIMNG-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396737 1368805080 /nfs/dbraw/zinc/80/50/80/1368805080.db2.gz MFGWQKPLYFIYLZ-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510442 1368829817 /nfs/dbraw/zinc/82/98/17/1368829817.db2.gz BGGKNWUZEBUACE-LJQANCHMSA-N 2 0 349.494 3.153 20 0 EGADRP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001112410938 1368830758 /nfs/dbraw/zinc/83/07/58/1368830758.db2.gz XYBHQPWADYYQAS-ZJOUEHCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112518877 1368910808 /nfs/dbraw/zinc/91/08/08/1368910808.db2.gz HMLUGKNMIVLOCN-OIDOJQHXSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001197898625 1368922086 /nfs/dbraw/zinc/92/20/86/1368922086.db2.gz HITUUPRKXGEEFW-FQEVSTJZSA-N 2 0 345.531 3.404 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(CC)cc2)CC1 ZINC001197908012 1368923021 /nfs/dbraw/zinc/92/30/21/1368923021.db2.gz PKTFALFKZUFNBO-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112566114 1368929962 /nfs/dbraw/zinc/92/99/62/1368929962.db2.gz LIJJPBZRBHGXCM-HRSGFYEVSA-N 2 0 349.563 3.293 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC001198136514 1368966621 /nfs/dbraw/zinc/96/66/21/1368966621.db2.gz SZXHQEBYEBTVAG-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)c1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001198275224 1368996103 /nfs/dbraw/zinc/99/61/03/1368996103.db2.gz YOGXBYKZOVAGTJ-UHFFFAOYSA-N 2 0 345.531 3.185 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CCC3)CC2)CC1 ZINC001186604440 1387984363 /nfs/dbraw/zinc/98/43/63/1387984363.db2.gz DFABAMWHKNVOPD-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186605929 1387985428 /nfs/dbraw/zinc/98/54/28/1387985428.db2.gz WFHMZIDEPLGWDN-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CC1CCC(C[NH+]2CCN(C(=O)CC3([NH+](C)C)CCCC3)CC2)CC1 ZINC001113158580 1369234022 /nfs/dbraw/zinc/23/40/22/1369234022.db2.gz BFNKFJCNYCRRES-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200893610 1369445320 /nfs/dbraw/zinc/44/53/20/1369445320.db2.gz FYYBYHGACZNUQN-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201043806 1369470469 /nfs/dbraw/zinc/47/04/69/1369470469.db2.gz JPZSJFJIBOAXNZ-SFHVURJKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052601 1369472655 /nfs/dbraw/zinc/47/26/55/1369472655.db2.gz GQIGRSQMSOQCDA-APWZRJJASA-N 2 0 335.536 3.020 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC001113528896 1369479075 /nfs/dbraw/zinc/47/90/75/1369479075.db2.gz VLDZYFXZRHXZMV-UHFFFAOYSA-N 2 0 339.568 3.469 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001113571287 1369497033 /nfs/dbraw/zinc/49/70/33/1369497033.db2.gz GFFQSVILLFXHAV-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001113571288 1369497266 /nfs/dbraw/zinc/49/72/66/1369497266.db2.gz GFFQSVILLFXHAV-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001201229661 1369499885 /nfs/dbraw/zinc/49/98/85/1369499885.db2.gz FPTDGQMBIJOJJP-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001201229710 1369500079 /nfs/dbraw/zinc/50/00/79/1369500079.db2.gz HFCORDHNRDAAAC-RBUKOAKNSA-N 2 0 335.536 3.164 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001201415539 1369540889 /nfs/dbraw/zinc/54/08/89/1369540889.db2.gz CSKCJLKDJSWRQC-RBUKOAKNSA-N 2 0 336.907 3.424 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001201510153 1369561281 /nfs/dbraw/zinc/56/12/81/1369561281.db2.gz YMWRHAOINPCPAH-SFHVURJKSA-N 2 0 331.504 3.042 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cnc(Cl)c(Cl)c3)cc[nH+]2)CC1 ZINC001201651301 1369597252 /nfs/dbraw/zinc/59/72/52/1369597252.db2.gz PZCRHHXUEGMMLV-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc4c(c3)OC(C)(C)O4)cc[nH+]2)CC1 ZINC001201666717 1369601455 /nfs/dbraw/zinc/60/14/55/1369601455.db2.gz XCBBGRUGODXVPF-UHFFFAOYSA-N 2 0 340.427 3.084 20 0 EGADRP COc1ccc2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)ccc2n1 ZINC001201667579 1369601502 /nfs/dbraw/zinc/60/15/02/1369601502.db2.gz VCZRMYSOPZXYOM-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001201935486 1369646280 /nfs/dbraw/zinc/64/62/80/1369646280.db2.gz MRVDETLHFJOEOX-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001202239222 1369721499 /nfs/dbraw/zinc/72/14/99/1369721499.db2.gz TYYCGTYNBDEHKD-IBGZPJMESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001202316254 1369737143 /nfs/dbraw/zinc/73/71/43/1369737143.db2.gz SSQYTIXWUSDBCO-KRWDZBQOSA-N 2 0 345.531 3.403 20 0 EGADRP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](CCC2CCOCC2)CC3)c1 ZINC001202653255 1369838243 /nfs/dbraw/zinc/83/82/43/1369838243.db2.gz ZUWIBACOTZDHSZ-UHFFFAOYSA-N 2 0 343.515 3.186 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001202707850 1369859828 /nfs/dbraw/zinc/85/98/28/1369859828.db2.gz JUSXFDPSQGKHER-QGZVFWFLSA-N 2 0 348.535 3.269 20 0 EGADRP Cc1ccc(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1 ZINC001202742875 1369875814 /nfs/dbraw/zinc/87/58/14/1369875814.db2.gz MCPAAXWWDYWUPR-UHFFFAOYSA-N 2 0 334.508 3.041 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202928466 1369928466 /nfs/dbraw/zinc/92/84/66/1369928466.db2.gz GXNOUFXAXAAUIR-ZWKOTPCHSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202978426 1369944202 /nfs/dbraw/zinc/94/42/02/1369944202.db2.gz HKPFYNZXBIWQHG-CVEARBPZSA-N 2 0 349.544 3.240 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001114488231 1369973647 /nfs/dbraw/zinc/97/36/47/1369973647.db2.gz JDYJABJDHMAEHR-BWTSREIZSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624501 1369998890 /nfs/dbraw/zinc/99/88/90/1369998890.db2.gz UEAMSFMGIAOUMF-KXTWHKPSSA-N 2 0 349.563 3.124 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001203193326 1370019111 /nfs/dbraw/zinc/01/91/11/1370019111.db2.gz KUEHWTKXSCYQGD-YADHBBJMSA-N 2 0 336.479 3.133 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3CC3)C23CCC3)CCCC1 ZINC001203229505 1370032052 /nfs/dbraw/zinc/03/20/52/1370032052.db2.gz GLZZRQKJLQSYBV-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]([NH2+]CCC3CC3)C23CCC3)CCCC1 ZINC001203229508 1370032457 /nfs/dbraw/zinc/03/24/57/1370032457.db2.gz GLZZRQKJLQSYBV-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203248713 1370040163 /nfs/dbraw/zinc/04/01/63/1370040163.db2.gz JECPEQOCQQAQBW-WIJVFFIESA-N 2 0 347.547 3.234 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001203357635 1370096474 /nfs/dbraw/zinc/09/64/74/1370096474.db2.gz MDFBLBJREFUALB-APWZRJJASA-N 2 0 334.467 3.421 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)C12CCC2 ZINC001203356819 1370096978 /nfs/dbraw/zinc/09/69/78/1370096978.db2.gz BTPWYWDBKRTISD-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001203414020 1370116475 /nfs/dbraw/zinc/11/64/75/1370116475.db2.gz GNJNKXZCYAVDLY-DHZHZOJOSA-N 2 0 343.515 3.012 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2)CC(C)(C)C ZINC001203426794 1370121145 /nfs/dbraw/zinc/12/11/45/1370121145.db2.gz QPTNJEMPGWSRPG-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C12CCC2 ZINC001203506311 1370148040 /nfs/dbraw/zinc/14/80/40/1370148040.db2.gz IPSRJVGPUZLCRT-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203507788 1370148892 /nfs/dbraw/zinc/14/88/92/1370148892.db2.gz VKDHDQWHCREJII-MOPGFXCFSA-N 2 0 343.515 3.179 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC(CC)CC)C12CCC2 ZINC001203641776 1370198612 /nfs/dbraw/zinc/19/86/12/1370198612.db2.gz VDDJUUZGCZXEQT-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203739978 1370243649 /nfs/dbraw/zinc/24/36/49/1370243649.db2.gz NDAWNSXCVBQWJO-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203769880 1370257660 /nfs/dbraw/zinc/25/76/60/1370257660.db2.gz CABWMCMQKYEYKZ-FKDQEEMOSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770848 1370258016 /nfs/dbraw/zinc/25/80/16/1370258016.db2.gz JGUARXBQTZKVGM-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770160 1370258335 /nfs/dbraw/zinc/25/83/35/1370258335.db2.gz DRSQEKYFAIGAQQ-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203791329 1370266001 /nfs/dbraw/zinc/26/60/01/1370266001.db2.gz HGZODZGGKOHNFH-RBUKOAKNSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203903814 1370307525 /nfs/dbraw/zinc/30/75/25/1370307525.db2.gz OIUJVJVBDKIGEE-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001203927133 1370316838 /nfs/dbraw/zinc/31/68/38/1370316838.db2.gz HZAWIGORNCNVFD-VQTJNVASSA-N 2 0 329.488 3.484 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC001204263712 1370426103 /nfs/dbraw/zinc/42/61/03/1370426103.db2.gz AVDOXDMWBFDIAS-UHFFFAOYSA-N 2 0 327.472 3.087 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001204264034 1370426143 /nfs/dbraw/zinc/42/61/43/1370426143.db2.gz QQQJWZSMBVADQN-UHFFFAOYSA-N 2 0 340.467 3.281 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC001204268299 1370427364 /nfs/dbraw/zinc/42/73/64/1370427364.db2.gz HPAWWGNNFYTYOL-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271198 1370428386 /nfs/dbraw/zinc/42/83/86/1370428386.db2.gz ITDCTRXMIGENOC-UFRUDQCGSA-N 2 0 332.488 3.159 20 0 EGADRP CCCCC[NH+]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204268990 1370428461 /nfs/dbraw/zinc/42/84/61/1370428461.db2.gz RTKYTAAAIIEVPV-UHFFFAOYSA-N 2 0 347.547 3.325 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001187231185 1388077299 /nfs/dbraw/zinc/07/72/99/1388077299.db2.gz IDLLXTBZYHOBDX-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1)C1CCC1 ZINC001115573117 1370576006 /nfs/dbraw/zinc/57/60/06/1370576006.db2.gz IUIOBJNSIYQGPP-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1)C1CC1 ZINC001115573638 1370576781 /nfs/dbraw/zinc/57/67/81/1370576781.db2.gz RYDXCIFLCWDBDP-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](F)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579361 1370582823 /nfs/dbraw/zinc/58/28/23/1370582823.db2.gz KESGATKEGVCCGI-IRXDYDNUSA-N 2 0 341.515 3.018 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)CC)CCCCC1 ZINC001115601540 1370601020 /nfs/dbraw/zinc/60/10/20/1370601020.db2.gz GCATVIZEJSMDCJ-HJWRWDBZSA-N 2 0 337.552 3.482 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115601905 1370601830 /nfs/dbraw/zinc/60/18/30/1370601830.db2.gz YLYVQTMMFUKFCZ-UHFFFAOYSA-N 2 0 345.531 3.326 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617233 1370613924 /nfs/dbraw/zinc/61/39/24/1370613924.db2.gz KORWGEVULFPYEN-INIZCTEOSA-N 2 0 346.450 3.105 20 0 EGADRP C[C@@H](F)CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630298 1370624088 /nfs/dbraw/zinc/62/40/88/1370624088.db2.gz JJWOZZPIEQQGKX-OAHLLOKOSA-N 2 0 346.450 3.105 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c3cccc(OC)c23)C1 ZINC001205008435 1370626818 /nfs/dbraw/zinc/62/68/18/1370626818.db2.gz AOXGRKDCHKQOOT-HNNXBMFYSA-N 2 0 328.456 3.288 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648362 1370637258 /nfs/dbraw/zinc/63/72/58/1370637258.db2.gz MRTFLKGSHOLVMR-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2([NH2+]CCCF)CCCCC2)CCCC1 ZINC001115649812 1370637857 /nfs/dbraw/zinc/63/78/57/1370637857.db2.gz AORYKEJUPNHEGM-UHFFFAOYSA-N 2 0 341.515 3.019 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2c[nH]c3cc(F)c(Br)cc23)CC1 ZINC001205053042 1370638978 /nfs/dbraw/zinc/63/89/78/1370638978.db2.gz HRSUIPOJYFKTEF-UHFFFAOYSA-N 2 0 340.240 3.240 20 0 EGADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3ncc(Br)cc3c2)CC1 ZINC001205124363 1370657804 /nfs/dbraw/zinc/65/78/04/1370657804.db2.gz OZQJLRHJXQFGTM-OAHLLOKOSA-N 2 0 334.261 3.311 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697294 1370678587 /nfs/dbraw/zinc/67/85/87/1370678587.db2.gz BKUWEOUCDKHRTQ-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708164 1370687583 /nfs/dbraw/zinc/68/75/83/1370687583.db2.gz RJWXWWSSQJKMDW-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)CC1 ZINC001205221335 1370686175 /nfs/dbraw/zinc/68/61/75/1370686175.db2.gz RVOZCYXFZDYYMQ-FQEVSTJZSA-N 2 0 344.430 3.294 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715774 1370695155 /nfs/dbraw/zinc/69/51/55/1370695155.db2.gz VPEICTWPOJPSTK-GOSISDBHSA-N 2 0 339.568 3.418 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2cccc(C[NH+](C)C)c2F)cn1 ZINC001205256368 1370697984 /nfs/dbraw/zinc/69/79/84/1370697984.db2.gz ZDMDSYIGYXSJCQ-UHFFFAOYSA-N 2 0 331.435 3.280 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205270930 1370701949 /nfs/dbraw/zinc/70/19/49/1370701949.db2.gz COHLBNGHVGMEFT-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729378 1370711380 /nfs/dbraw/zinc/71/13/80/1370711380.db2.gz CTRJDNXHUHGCSG-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115729992 1370711861 /nfs/dbraw/zinc/71/18/61/1370711861.db2.gz AMPCUTKUEHRSCQ-MRXNPFEDSA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730482 1370713003 /nfs/dbraw/zinc/71/30/03/1370713003.db2.gz LAURHRBNWBEJLF-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115730948 1370714084 /nfs/dbraw/zinc/71/40/84/1370714084.db2.gz VNLNZTZKLAIMSX-PKOBYXMFSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001115768847 1370753182 /nfs/dbraw/zinc/75/31/82/1370753182.db2.gz JXFOLRLVXCBTCX-RTBURBONSA-N 2 0 347.547 3.212 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205460892 1370762231 /nfs/dbraw/zinc/76/22/31/1370762231.db2.gz ADEBYAKIWLQFAO-XJDXJNMNSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1)C1CC1 ZINC001205461450 1370762408 /nfs/dbraw/zinc/76/24/08/1370762408.db2.gz JRTMYCDCMIWHGS-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518942 1370778760 /nfs/dbraw/zinc/77/87/60/1370778760.db2.gz PUPDKMHODLNLJL-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545193 1370787229 /nfs/dbraw/zinc/78/72/29/1370787229.db2.gz AHFDJDQIISUHBL-IBGZPJMESA-N 2 0 330.451 3.142 20 0 EGADRP Cc1c(C(=O)N2CCC(C[NH2+]CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001205590932 1370802795 /nfs/dbraw/zinc/80/27/95/1370802795.db2.gz YHGRCNDAYWBJNO-UHFFFAOYSA-N 2 0 342.487 3.131 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)cs2)cc1 ZINC001205591235 1370802866 /nfs/dbraw/zinc/80/28/66/1370802866.db2.gz ICZWDQUEQGZSBJ-SFHVURJKSA-N 2 0 349.475 3.472 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205601631 1370806373 /nfs/dbraw/zinc/80/63/73/1370806373.db2.gz FLFBSOOHUXCHLD-QAPCUYQASA-N 2 0 326.488 3.296 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205601647 1370807068 /nfs/dbraw/zinc/80/70/68/1370807068.db2.gz FPGPFASQNMOZBW-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1Br ZINC001205627649 1370817577 /nfs/dbraw/zinc/81/75/77/1370817577.db2.gz RHFVRGMUEGOYJM-GXTWGEPZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(Br)ccc(O)c2F)CC[C@H]1C[NH3+] ZINC001205651266 1370829311 /nfs/dbraw/zinc/82/93/11/1370829311.db2.gz BUJKISNEULTJEO-MNOVXSKESA-N 2 0 345.256 3.101 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccnc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC001205665658 1370835071 /nfs/dbraw/zinc/83/50/71/1370835071.db2.gz SZFIHANXMZRZCC-PXNSSMCTSA-N 2 0 339.483 3.467 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001205687972 1370843388 /nfs/dbraw/zinc/84/33/88/1370843388.db2.gz CDCHXTOLGXGOEX-FQEVSTJZSA-N 2 0 328.431 3.168 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751941 1370860910 /nfs/dbraw/zinc/86/09/10/1370860910.db2.gz QFMUZQQSQKNPHE-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cnccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001205850499 1370891693 /nfs/dbraw/zinc/89/16/93/1370891693.db2.gz KPLXSEJBFAFXJS-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP CC(C)(C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001205861041 1370895419 /nfs/dbraw/zinc/89/54/19/1370895419.db2.gz XKQADMWGDGRAEO-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001205982556 1370929150 /nfs/dbraw/zinc/92/91/50/1370929150.db2.gz MHTRJWNWDFGGBP-GHTZIAJQSA-N 3 0 329.532 3.205 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205983813 1370929514 /nfs/dbraw/zinc/92/95/14/1370929514.db2.gz PIOTUPKZFYUNBE-NRSPTQNISA-N 2 0 329.532 3.348 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1OC ZINC001205992528 1370932055 /nfs/dbraw/zinc/93/20/55/1370932055.db2.gz DZSIQZGMXLNCLN-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205995853 1370932848 /nfs/dbraw/zinc/93/28/48/1370932848.db2.gz RDDGTVKSKROMSQ-WCQYABFASA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC[C@@H]1C[NH3+] ZINC001206004147 1370935136 /nfs/dbraw/zinc/93/51/36/1370935136.db2.gz QSUVPYMAXAXRKN-MAUKXSAKSA-N 2 0 332.488 3.449 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC[C@H]1C[NH3+] ZINC001206004149 1370935793 /nfs/dbraw/zinc/93/57/93/1370935793.db2.gz QSUVPYMAXAXRKN-YJBOKZPZSA-N 2 0 332.488 3.449 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c(F)c1Cl ZINC001206037514 1370945959 /nfs/dbraw/zinc/94/59/59/1370945959.db2.gz WAILOOXFTKLKKH-GHMZBOCLSA-N 2 0 332.822 3.434 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206175799 1370980990 /nfs/dbraw/zinc/98/09/90/1370980990.db2.gz CLNAPKWGFOOKTK-PKOBYXMFSA-N 2 0 339.568 3.083 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cc2)cn1 ZINC001116865804 1370989565 /nfs/dbraw/zinc/98/95/65/1370989565.db2.gz SAATXLUHPCIOTQ-UHFFFAOYSA-N 2 0 326.488 3.299 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206273829 1371010371 /nfs/dbraw/zinc/01/03/71/1371010371.db2.gz AHMSOLSGNKOGGP-GOSISDBHSA-N 2 0 347.547 3.189 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1OC(F)F ZINC001206304128 1371016035 /nfs/dbraw/zinc/01/60/35/1371016035.db2.gz GNIHLJXBPDWVAJ-KRWDZBQOSA-N 2 0 328.403 3.248 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001206311027 1371017368 /nfs/dbraw/zinc/01/73/68/1371017368.db2.gz GKXDRWLKPLOIMQ-MRXNPFEDSA-N 2 0 342.940 3.348 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001206318252 1371020518 /nfs/dbraw/zinc/02/05/18/1371020518.db2.gz OKWFVMXEZNXYAU-SFHVURJKSA-N 2 0 334.414 3.306 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)nc1 ZINC001206332222 1371026002 /nfs/dbraw/zinc/02/60/02/1371026002.db2.gz GGKFEIQQYUQRAK-IBGZPJMESA-N 2 0 327.476 3.054 20 0 EGADRP COc1ccc(-c2cnn(CC[NH+](C)C)c2)c(C[NH+]2CCCCC2)c1 ZINC001206373057 1371036418 /nfs/dbraw/zinc/03/64/18/1371036418.db2.gz ICWLDFDFFVOSCS-UHFFFAOYSA-N 2 0 342.487 3.106 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001117714881 1371067690 /nfs/dbraw/zinc/06/76/90/1371067690.db2.gz PGDFKDASJQOBSL-YZGWKJHDSA-N 2 0 343.515 3.030 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206488679 1371071292 /nfs/dbraw/zinc/07/12/92/1371071292.db2.gz WZLVSAKYZJDUEI-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2cc3ccc(Br)cc3[nH]2)CC1 ZINC001206500656 1371074670 /nfs/dbraw/zinc/07/46/70/1371074670.db2.gz OELKYKMSODCRSC-UHFFFAOYSA-N 2 0 336.277 3.491 20 0 EGADRP C[N@H+](Cc1cccc2ccoc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001117790214 1371084757 /nfs/dbraw/zinc/08/47/57/1371084757.db2.gz VRXSFXGNEHVWTD-LJQANCHMSA-N 2 0 327.472 3.033 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001206606458 1371107375 /nfs/dbraw/zinc/10/73/75/1371107375.db2.gz NPRSIASWXWAZDF-HNNXBMFYSA-N 2 0 325.294 3.443 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC(C[NH2+]CCC(C)C)CC1)C(C)C ZINC001206628936 1371113563 /nfs/dbraw/zinc/11/35/63/1371113563.db2.gz ZNYAWSLZQCAJBW-IBGZPJMESA-N 2 0 339.568 3.227 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ccc1OC(F)(F)F ZINC001206649759 1371119641 /nfs/dbraw/zinc/11/96/41/1371119641.db2.gz YQJJARUCFUVXBS-CYBMUJFWSA-N 2 0 332.366 3.155 20 0 EGADRP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001206772209 1371160375 /nfs/dbraw/zinc/16/03/75/1371160375.db2.gz ZFKSJLXBBUWCHK-VXGBXAGGSA-N 2 0 336.277 3.490 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206809632 1371176315 /nfs/dbraw/zinc/17/63/15/1371176315.db2.gz LZJVUDCCWOBEIR-JKSUJKDBSA-N 2 0 325.456 3.316 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(-c4ccc(F)cc4)on3)C2)CC1 ZINC001206836502 1371184469 /nfs/dbraw/zinc/18/44/69/1371184469.db2.gz OWBOFHWCZNDGKJ-UHFFFAOYSA-N 2 0 329.419 3.398 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001206856777 1371191217 /nfs/dbraw/zinc/19/12/17/1371191217.db2.gz ANPNOKBYTSKODP-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC(C[NH2+]CCCF)CC1 ZINC001206868899 1371197489 /nfs/dbraw/zinc/19/74/89/1371197489.db2.gz JOJZPRJCVZNMPX-UHFFFAOYSA-N 2 0 343.531 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001206890228 1371209943 /nfs/dbraw/zinc/20/99/43/1371209943.db2.gz HFKWXXSFRCDIJY-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206935453 1371232070 /nfs/dbraw/zinc/23/20/70/1371232070.db2.gz BKXPTZVIKUOJDQ-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001206955285 1371244686 /nfs/dbraw/zinc/24/46/86/1371244686.db2.gz PEEJMAAHQZWCHC-KZNAEPCWSA-N 2 0 337.552 3.122 20 0 EGADRP Fc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001207022614 1371270117 /nfs/dbraw/zinc/27/01/17/1371270117.db2.gz HZWKROCTJKQREK-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cccc(=O)[nH]1)CC2 ZINC001207067388 1371285048 /nfs/dbraw/zinc/28/50/48/1371285048.db2.gz WSQFDHJXTHEXBM-GOSISDBHSA-N 2 0 341.455 3.257 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001207282527 1371349916 /nfs/dbraw/zinc/34/99/16/1371349916.db2.gz SMADYBSVYXMNBD-NRFANRHFSA-N 2 0 347.522 3.454 20 0 EGADRP C[C@]1(CO)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286087 1371350102 /nfs/dbraw/zinc/35/01/02/1371350102.db2.gz DWCGJPKNBPMIFB-NRFANRHFSA-N 2 0 330.516 3.383 20 0 EGADRP O=c1[nH]ccc2c1CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207292852 1371353012 /nfs/dbraw/zinc/35/30/12/1371353012.db2.gz CERMEISPDDRGOK-UHFFFAOYSA-N 2 0 337.467 3.058 20 0 EGADRP CC(C)N(C)[C@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293447 1371353649 /nfs/dbraw/zinc/35/36/49/1371353649.db2.gz JLRSGKQOQYBMFT-NRFANRHFSA-N 2 0 329.532 3.313 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207314067 1371358480 /nfs/dbraw/zinc/35/84/80/1371358480.db2.gz SRBVISBIBBNOQE-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435224 1371395736 /nfs/dbraw/zinc/39/57/36/1371395736.db2.gz KNTMNISGOGWXOQ-MISYRCLQSA-N 2 0 347.572 3.280 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001207479022 1371408581 /nfs/dbraw/zinc/40/85/81/1371408581.db2.gz AXJLFDASUUJFLD-UHFFFAOYSA-N 2 0 332.463 3.452 20 0 EGADRP COc1ccccc1O[C@@H]1CCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207485158 1371410880 /nfs/dbraw/zinc/41/08/80/1371410880.db2.gz SFUVVPZWMHSPLC-GOSISDBHSA-N 2 0 332.488 3.270 20 0 EGADRP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001207487932 1371411954 /nfs/dbraw/zinc/41/19/54/1371411954.db2.gz ZCZDMPVKAVXCSL-LJQANCHMSA-N 2 0 336.520 3.164 20 0 EGADRP COc1cccc(CCC[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001207572670 1371439448 /nfs/dbraw/zinc/43/94/48/1371439448.db2.gz BCSBVUUALOMUGN-LJQANCHMSA-N 2 0 326.440 3.485 20 0 EGADRP C[NH+](C)CCCN(CCCc1cccc(Cl)c1)CCC[NH+](C)C ZINC001207590341 1371445394 /nfs/dbraw/zinc/44/53/94/1371445394.db2.gz GZPPAPSJNWZLKS-UHFFFAOYSA-N 2 0 339.955 3.478 20 0 EGADRP Fc1cccc(CCC[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC001207602665 1371449394 /nfs/dbraw/zinc/44/93/94/1371449394.db2.gz UALALYCNISNXGX-KDURUIRLSA-N 2 0 339.458 3.217 20 0 EGADRP Cc1cc(N2CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC2)cc[nH+]1 ZINC001207683316 1371473660 /nfs/dbraw/zinc/47/36/60/1371473660.db2.gz PWEGHJJMKNTLET-QGZVFWFLSA-N 2 0 333.520 3.479 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001120188653 1371502232 /nfs/dbraw/zinc/50/22/32/1371502232.db2.gz AFJLEJXLEYENQG-LQTPYWCBSA-N 2 0 341.927 3.020 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CC4(C)CCOCC4)C[C@H]3C2)cc1 ZINC001207967402 1371554026 /nfs/dbraw/zinc/55/40/26/1371554026.db2.gz OMETZGJMENCCDD-WOJBJXKFSA-N 2 0 328.500 3.175 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401027 1371562160 /nfs/dbraw/zinc/56/21/60/1371562160.db2.gz GEGHVNYPRQTTFB-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001120403637 1371563399 /nfs/dbraw/zinc/56/33/99/1371563399.db2.gz ZWAHHAROTFNWIZ-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208013893 1371568239 /nfs/dbraw/zinc/56/82/39/1371568239.db2.gz KWLBSNOMJFGVCL-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014993 1371569234 /nfs/dbraw/zinc/56/92/34/1371569234.db2.gz VRBMJXRQLTWSTH-LXORQPIJSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001120421771 1371569557 /nfs/dbraw/zinc/56/95/57/1371569557.db2.gz CXBPEMORNBGGJY-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120438867 1371577035 /nfs/dbraw/zinc/57/70/35/1371577035.db2.gz CPSFIVROQHXZBF-SLVIYJBESA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208049641 1371580463 /nfs/dbraw/zinc/58/04/63/1371580463.db2.gz PEOQGMFXSVUNBX-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450188 1371580933 /nfs/dbraw/zinc/58/09/33/1371580933.db2.gz SZPDPKJOLBWOOF-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208112845 1371598838 /nfs/dbraw/zinc/59/88/38/1371598838.db2.gz ZVLRIXVXXPWNDH-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP CC/C=C\CCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001208136155 1371606287 /nfs/dbraw/zinc/60/62/87/1371606287.db2.gz RWWPLKVPSJBSTO-SREVYHEPSA-N 2 0 346.519 3.036 20 0 EGADRP C[C@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@@]1(O)C(F)(F)F ZINC001208185225 1371625895 /nfs/dbraw/zinc/62/58/95/1371625895.db2.gz XQABHMMBPPLNRJ-HOCLYGCPSA-N 2 0 336.442 3.134 20 0 EGADRP Cc1cccnc1OC1CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208188242 1371626368 /nfs/dbraw/zinc/62/63/68/1371626368.db2.gz IGBUWVWNXYFIOR-UHFFFAOYSA-N 2 0 331.504 3.355 20 0 EGADRP CCCc1noc([C@@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208186810 1371627445 /nfs/dbraw/zinc/62/74/45/1371627445.db2.gz YYRUQCLJPIEZEW-MRXNPFEDSA-N 2 0 334.508 3.324 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208279357 1371696720 /nfs/dbraw/zinc/69/67/20/1371696720.db2.gz ODXPHYGHKQMDAS-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001208447154 1371769936 /nfs/dbraw/zinc/76/99/36/1371769936.db2.gz IXVREEVAFWLGGB-FUHWJXTLSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592933 1371832976 /nfs/dbraw/zinc/83/29/76/1371832976.db2.gz ZLJPSEHADYRBPZ-BDTNDASRSA-N 2 0 341.543 3.315 20 0 EGADRP CC[N@@H+]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C(C)(C)C1 ZINC001208595442 1371833919 /nfs/dbraw/zinc/83/39/19/1371833919.db2.gz SVYKNZBDYKWNAX-HXUWFJFHSA-N 2 0 329.532 3.457 20 0 EGADRP Cc1cc(N2CCC([NH2+]C3CCOCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC001121038636 1371839719 /nfs/dbraw/zinc/83/97/19/1371839719.db2.gz GDNKAHCMGNDDMM-UHFFFAOYSA-N 2 0 343.446 3.420 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619079 1371845185 /nfs/dbraw/zinc/84/51/85/1371845185.db2.gz VDIBZKDGPQZATG-FCHUYYIVSA-N 2 0 341.543 3.316 20 0 EGADRP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001208629882 1371847069 /nfs/dbraw/zinc/84/70/69/1371847069.db2.gz XMEZLAOKTJUEFY-UAPYVXQJSA-N 2 0 348.531 3.306 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759189 1371885829 /nfs/dbraw/zinc/88/58/29/1371885829.db2.gz RONAJHQWPRYCCU-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121260861 1371912352 /nfs/dbraw/zinc/91/23/52/1371912352.db2.gz KNHHRXQQUYTAMD-DRVBKLLFSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+](CCCc3ccc(C(=O)OCC)cc3)C[C@H]2C1 ZINC001208867576 1371924639 /nfs/dbraw/zinc/92/46/39/1371924639.db2.gz NUCKEUVNLHTASZ-WOJBJXKFSA-N 2 0 344.499 3.070 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001208918388 1371944056 /nfs/dbraw/zinc/94/40/56/1371944056.db2.gz HFAFQQISFGXJRX-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918038 1371944182 /nfs/dbraw/zinc/94/41/82/1371944182.db2.gz CYVCUVFXDZYNNU-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931537 1371950210 /nfs/dbraw/zinc/95/02/10/1371950210.db2.gz ABESVQPAUCXJJQ-NRFANRHFSA-N 3 0 329.532 3.172 20 0 EGADRP CN(CCC[NH+]1CCCC1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931984 1371950863 /nfs/dbraw/zinc/95/08/63/1371950863.db2.gz DYCPUMRSLYZWDR-NRFANRHFSA-N 2 0 329.532 3.316 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC001208935019 1371952017 /nfs/dbraw/zinc/95/20/17/1371952017.db2.gz HOLRPKXBLMMGDQ-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP COC(=O)[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939796 1371953252 /nfs/dbraw/zinc/95/32/52/1371953252.db2.gz JFEOHIWDQJHCGA-DFQSSKMNSA-N 2 0 344.499 3.030 20 0 EGADRP c1cnn(C2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208940184 1371955273 /nfs/dbraw/zinc/95/52/73/1371955273.db2.gz QBDVUYMWJGDERD-FQEVSTJZSA-N 2 0 338.499 3.432 20 0 EGADRP COC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208947447 1371959465 /nfs/dbraw/zinc/95/94/65/1371959465.db2.gz KDUMEUZMVJIZKT-WOJBJXKFSA-N 2 0 344.499 3.174 20 0 EGADRP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209222565 1372042556 /nfs/dbraw/zinc/04/25/56/1372042556.db2.gz JWUBTSBODZKQIG-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]C2CC3(CC(NC(=O)CC[NH+](C)C)C3)C2)C1 ZINC001121696284 1372049625 /nfs/dbraw/zinc/04/96/25/1372049625.db2.gz MWEMSNBDKBNNJU-YQTQZHKRSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121861420 1372106448 /nfs/dbraw/zinc/10/64/48/1372106448.db2.gz WAUDHVQVGNWJKZ-FCOWATRHSA-N 2 0 347.547 3.233 20 0 EGADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCC[NH+]2CCCCC2)c1 ZINC001209450117 1372108808 /nfs/dbraw/zinc/10/88/08/1372108808.db2.gz JIKJDNRAHAPVCB-HDICACEKSA-N 2 0 333.545 3.273 20 0 EGADRP CC1(C)[N@H+](CCC[NH+]2CCCCC2)CC[C@]12c1ccccc1OC2=O ZINC001209453116 1372110097 /nfs/dbraw/zinc/11/00/97/1372110097.db2.gz YRBPPQKPSZGYRX-OAQYLSRUSA-N 2 0 342.483 3.204 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2 ZINC001121918990 1372122826 /nfs/dbraw/zinc/12/28/26/1372122826.db2.gz LWVDQJBTJVMPIN-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)C(C)C ZINC001121924158 1372124479 /nfs/dbraw/zinc/12/44/79/1372124479.db2.gz OQCPRPDBQPWSIJ-FCOWATRHSA-N 2 0 349.563 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC001122022202 1372154903 /nfs/dbraw/zinc/15/49/03/1372154903.db2.gz FYPREDAHLLKCFM-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001209660647 1372163950 /nfs/dbraw/zinc/16/39/50/1372163950.db2.gz RLFJZDVBXFDPIP-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001209691915 1372171688 /nfs/dbraw/zinc/17/16/88/1372171688.db2.gz ZTOJVWMDANDGKA-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001122285496 1372221650 /nfs/dbraw/zinc/22/16/50/1372221650.db2.gz XZYKWFSUOLTDIX-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001209951488 1372240263 /nfs/dbraw/zinc/24/02/63/1372240263.db2.gz LNAMVVLFLHZEFK-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)cc1 ZINC001210132503 1372277671 /nfs/dbraw/zinc/27/76/71/1372277671.db2.gz DDBLSRJCYMVRAD-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190184 1372291247 /nfs/dbraw/zinc/29/12/47/1372291247.db2.gz RVTCRDCXSXMLLJ-MOPGFXCFSA-N 2 0 339.568 3.370 20 0 EGADRP CCOc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1Cl ZINC001210265448 1372309741 /nfs/dbraw/zinc/30/97/41/1372309741.db2.gz DUJDZPDSYDMQHJ-UHFFFAOYSA-N 2 0 332.835 3.287 20 0 EGADRP FC(F)(F)Oc1cccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210266332 1372310250 /nfs/dbraw/zinc/31/02/50/1372310250.db2.gz JPTCNVDRYABCPA-UHFFFAOYSA-N 2 0 338.333 3.133 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210615031 1372391285 /nfs/dbraw/zinc/39/12/85/1372391285.db2.gz KJDFZJYWGZKWDX-TZIWHRDSSA-N 2 0 345.531 3.090 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210690748 1372408892 /nfs/dbraw/zinc/40/88/92/1372408892.db2.gz PCFMNWXGJPBKHQ-MRXNPFEDSA-N 2 0 346.519 3.168 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210743599 1372417568 /nfs/dbraw/zinc/41/75/68/1372417568.db2.gz JPNQHAPYURVTMJ-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210751446 1372419297 /nfs/dbraw/zinc/41/92/97/1372419297.db2.gz YNPJIXXCAXVDDZ-MEJUDOHFSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210788675 1372426554 /nfs/dbraw/zinc/42/65/54/1372426554.db2.gz HNWCAMOBDXHILS-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210811091 1372430644 /nfs/dbraw/zinc/43/06/44/1372430644.db2.gz ITZNCUWIVLYMMS-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094598 1372484636 /nfs/dbraw/zinc/48/46/36/1372484636.db2.gz ICJZLJAOFZIUOA-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001211146700 1372490348 /nfs/dbraw/zinc/49/03/48/1372490348.db2.gz IUQDTVYSVPKTNA-SFHVURJKSA-N 2 0 349.544 3.095 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001211256573 1372513409 /nfs/dbraw/zinc/51/34/09/1372513409.db2.gz JFFSVPSIZSFZFQ-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001211371791 1372542562 /nfs/dbraw/zinc/54/25/62/1372542562.db2.gz WRTUMPFIVKWEBQ-QWFCFKBJSA-N 2 0 345.531 3.141 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374917 1372544109 /nfs/dbraw/zinc/54/41/09/1372544109.db2.gz SUERNWKSEGIJGO-MISYRCLQSA-N 2 0 347.547 3.044 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001326473793 1388206164 /nfs/dbraw/zinc/20/61/64/1388206164.db2.gz OAKGGFGOJSDNHR-IAGOWNOFSA-N 3 0 333.520 3.330 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001326473795 1388207276 /nfs/dbraw/zinc/20/72/76/1388207276.db2.gz OAKGGFGOJSDNHR-SJORKVTESA-N 3 0 333.520 3.330 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(C3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC001212124227 1372662060 /nfs/dbraw/zinc/66/20/60/1372662060.db2.gz CGKAWULBRZWBPM-UHFFFAOYSA-N 2 0 340.471 3.436 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001212335807 1372689154 /nfs/dbraw/zinc/68/91/54/1372689154.db2.gz KYPDPXAWGFIEPK-AWEZNQCLSA-N 2 0 346.328 3.197 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001127066262 1373078797 /nfs/dbraw/zinc/07/87/97/1373078797.db2.gz KLQCBNNKNOKMIK-LJQANCHMSA-N 2 0 345.531 3.063 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001127317134 1373114887 /nfs/dbraw/zinc/11/48/87/1373114887.db2.gz KVWFAFGUXGEUOJ-GOSISDBHSA-N 2 0 331.504 3.108 20 0 EGADRP CC1(C)CCC(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001188106675 1388243830 /nfs/dbraw/zinc/24/38/30/1388243830.db2.gz QCBQHOMZUZOYIH-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188140157 1388248202 /nfs/dbraw/zinc/24/82/02/1388248202.db2.gz ZCGXCTUWDINPJU-WYNBNGFRSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001216174264 1373275104 /nfs/dbraw/zinc/27/51/04/1373275104.db2.gz OOOMIEBDFSCVOP-HTJOGQSXSA-N 2 0 349.563 3.290 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001216226304 1373285673 /nfs/dbraw/zinc/28/56/73/1373285673.db2.gz RSWXCHVTCQOKQI-WSTZPKSXSA-N 2 0 345.531 3.143 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001128774584 1373310479 /nfs/dbraw/zinc/31/04/79/1373310479.db2.gz UPFHVNCEFZNDPZ-IBGZPJMESA-N 2 0 345.531 3.064 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001216845123 1373349859 /nfs/dbraw/zinc/34/98/59/1373349859.db2.gz YBCIGPDGNDOURS-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130190411 1373471887 /nfs/dbraw/zinc/47/18/87/1373471887.db2.gz YRDCJTUATIQWAD-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1c(C)cc(C(C)(C)C)cc1C)[NH+](C)C ZINC001130200594 1373473886 /nfs/dbraw/zinc/47/38/86/1373473886.db2.gz KQEKFPZGJMKFOP-LJQANCHMSA-N 2 0 347.547 3.147 20 0 EGADRP [NH3+]Cc1ccccc1CO[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001217911241 1373511135 /nfs/dbraw/zinc/51/11/35/1373511135.db2.gz NOAKQXZNRMXSOK-LJQANCHMSA-N 2 0 328.431 3.466 20 0 EGADRP C[C@@H]1CC[C@@H](OC[C@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C[NH2+]1 ZINC001217910247 1373511489 /nfs/dbraw/zinc/51/14/89/1373511489.db2.gz IDNDKJTUPSQJLZ-QFUCXCTJSA-N 2 0 346.515 3.213 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](OCCC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC001217928834 1373512961 /nfs/dbraw/zinc/51/29/61/1373512961.db2.gz HTTPGFMMHBOTRC-PCCBWWKXSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@@H]1OC[C@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217939518 1373514945 /nfs/dbraw/zinc/51/49/45/1373514945.db2.gz PWVHSGAMGDHDTF-LMNJBCLMSA-N 2 0 346.515 3.071 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]CC/C=C\c2ccccc2)ccc2c[nH+]cn21 ZINC001130658875 1373576923 /nfs/dbraw/zinc/57/69/23/1373576923.db2.gz USDBHXUZCMABSC-UITAMQMPSA-N 2 0 348.450 3.066 20 0 EGADRP C[NH+]1C(C)(C)CC(Oc2ccccc2N2CC[NH2+]CC2)CC1(C)C ZINC001218314960 1373593841 /nfs/dbraw/zinc/59/38/41/1373593841.db2.gz DYWLWYSSGWZPTK-UHFFFAOYSA-N 2 0 331.504 3.126 20 0 EGADRP C[C@H]1CC[C@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C[NH2+]1 ZINC001218401427 1373607762 /nfs/dbraw/zinc/60/77/62/1373607762.db2.gz HMPPMIXTGLJOBR-YOEHRIQHSA-N 2 0 327.472 3.496 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001218939007 1373668328 /nfs/dbraw/zinc/66/83/28/1373668328.db2.gz ZPCPHBYMUYTYHC-RTWAWAEBSA-N 2 0 349.478 3.197 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001131374677 1373686336 /nfs/dbraw/zinc/68/63/36/1373686336.db2.gz HXYLOTDLQDDCHN-MRXNPFEDSA-N 2 0 336.439 3.032 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001131794289 1373808953 /nfs/dbraw/zinc/80/89/53/1373808953.db2.gz RFQWNPFGIANAAR-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP Clc1ccc(-n2cccc2C[NH+]2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001222207954 1373821034 /nfs/dbraw/zinc/82/10/34/1373821034.db2.gz HFQNFOXGSDHZOJ-UHFFFAOYSA-N 2 0 345.874 3.085 20 0 EGADRP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390201 1373833937 /nfs/dbraw/zinc/83/39/37/1373833937.db2.gz MUWWYHSQUQGVLR-IBGZPJMESA-N 2 0 348.560 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)cc1C ZINC001326760166 1388301573 /nfs/dbraw/zinc/30/15/73/1388301573.db2.gz HHYLSIBDHJZHTN-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224796185 1375077457 /nfs/dbraw/zinc/07/74/57/1375077457.db2.gz NKTDSCYEODAOIR-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP COCC[NH+]1CCC(OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224825506 1375079409 /nfs/dbraw/zinc/07/94/09/1375079409.db2.gz KRVGUAKDXKWLKB-FQEVSTJZSA-N 2 0 346.515 3.026 20 0 EGADRP CCCCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224883830 1375082053 /nfs/dbraw/zinc/08/20/53/1375082053.db2.gz JTAXCFMXMCNCSN-LJQANCHMSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1cc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C3CCC3)CC[C@H]2C)cs1 ZINC001132106188 1375151189 /nfs/dbraw/zinc/15/11/89/1375151189.db2.gz QXRHBOSYNZDJIQ-RHSMWYFYSA-N 2 0 349.544 3.010 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCC2)C1 ZINC001132153152 1375172819 /nfs/dbraw/zinc/17/28/19/1375172819.db2.gz NTASNLJIDYLYSC-AEFFLSMTSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202190 1375206111 /nfs/dbraw/zinc/20/61/11/1375206111.db2.gz DPLQCUXBAHUQPH-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CC1CCCCCC1 ZINC001132265564 1375254853 /nfs/dbraw/zinc/25/48/53/1375254853.db2.gz OQEQYFJAVMHTDK-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001226541834 1375278586 /nfs/dbraw/zinc/27/85/86/1375278586.db2.gz IQSOARCMGWFGHT-IAGOWNOFSA-N 2 0 349.544 3.407 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001132310267 1375288975 /nfs/dbraw/zinc/28/89/75/1375288975.db2.gz JYRQRKPEKPFVCD-PKOBYXMFSA-N 2 0 345.531 3.134 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC2)C1 ZINC001132366144 1375330097 /nfs/dbraw/zinc/33/00/97/1375330097.db2.gz XDSPJQZVEHDFDL-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226892002 1375354081 /nfs/dbraw/zinc/35/40/81/1375354081.db2.gz XQWMOYWWFQNGHH-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001226891196 1375354223 /nfs/dbraw/zinc/35/42/23/1375354223.db2.gz RQJFAEAZSCVDAW-RCCFBDPRSA-N 2 0 337.552 3.314 20 0 EGADRP CCc1ccc(C[NH+]2C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]2C)cc1 ZINC001132409837 1375358305 /nfs/dbraw/zinc/35/83/05/1375358305.db2.gz FTBPCQNJYKFRKH-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132409850 1375358497 /nfs/dbraw/zinc/35/84/97/1375358497.db2.gz FVQKVDJSXUJCKE-HKUYNNGSSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132410704 1375359548 /nfs/dbraw/zinc/35/95/48/1375359548.db2.gz NADOOFHAKUFQJX-MOPGFXCFSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1)[NH+](C)C ZINC001226942397 1375363824 /nfs/dbraw/zinc/36/38/24/1375363824.db2.gz YZLIZLPUCDLTSY-QRVBRYPASA-N 2 0 337.552 3.170 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CCCCC1 ZINC001132517310 1375435549 /nfs/dbraw/zinc/43/55/49/1375435549.db2.gz AUGFWGXEEZUZAW-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227483516 1375436532 /nfs/dbraw/zinc/43/65/32/1375436532.db2.gz OZIWFPVHTKOLFM-BMGDILEWSA-N 2 0 328.460 3.011 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC001132519265 1375437071 /nfs/dbraw/zinc/43/70/71/1375437071.db2.gz VUPQMNVRKPBAOP-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132518671 1375437080 /nfs/dbraw/zinc/43/70/80/1375437080.db2.gz MNZQNUDABBYEPG-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132521850 1375438103 /nfs/dbraw/zinc/43/81/03/1375438103.db2.gz IBABVRWLHFKOAV-CSXIPAGWSA-N 2 0 343.515 3.009 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001132524820 1375440661 /nfs/dbraw/zinc/44/06/61/1375440661.db2.gz MGHWOGQXHJPTFK-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548992 1375455936 /nfs/dbraw/zinc/45/59/36/1375455936.db2.gz MAICCVFXFOCNHR-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703113 1375463636 /nfs/dbraw/zinc/46/36/36/1375463636.db2.gz BUYUYEQPTZHOEY-QRVBRYPASA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227807839 1375478113 /nfs/dbraw/zinc/47/81/13/1375478113.db2.gz YORNEOZERWGHGI-KRWDZBQOSA-N 2 0 343.515 3.121 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001227877249 1375485762 /nfs/dbraw/zinc/48/57/62/1375485762.db2.gz PSRRAQBCDRRLRE-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001132739836 1375538919 /nfs/dbraw/zinc/53/89/19/1375538919.db2.gz WEESZDJOIYSFMX-OALUTQOASA-N 2 0 345.531 3.192 20 0 EGADRP C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001132825344 1375585090 /nfs/dbraw/zinc/58/50/90/1375585090.db2.gz YEGBOUOKFGWMBN-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001132892325 1375628985 /nfs/dbraw/zinc/62/89/85/1375628985.db2.gz DJDYKXFJNFDJLP-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001132892945 1375629170 /nfs/dbraw/zinc/62/91/70/1375629170.db2.gz KOAGJTXQJIGFNL-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132925676 1375648766 /nfs/dbraw/zinc/64/87/66/1375648766.db2.gz ZRYJOKPRDAGYBX-RBUKOAKNSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941211 1375660579 /nfs/dbraw/zinc/66/05/79/1375660579.db2.gz HZCQAIYHJSGSIV-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132955241 1375671311 /nfs/dbraw/zinc/67/13/11/1375671311.db2.gz RBJRJLRZZFRBPF-FUHWJXTLSA-N 2 0 342.487 3.212 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228873087 1375700792 /nfs/dbraw/zinc/70/07/92/1375700792.db2.gz BQOOXCRLVLJBEH-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)[NH+]1CCCCCC1 ZINC001228932791 1375720858 /nfs/dbraw/zinc/72/08/58/1375720858.db2.gz WKEVAMMKKZGNDB-OUIQCJFTSA-N 2 0 341.927 3.020 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133084754 1375766027 /nfs/dbraw/zinc/76/60/27/1375766027.db2.gz XDYPDJSLRUBWPR-CWHLKURSSA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)C(C)C ZINC001229194049 1375785394 /nfs/dbraw/zinc/78/53/94/1375785394.db2.gz ILGZMUYIWCDSEY-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+](CC)CC)c1 ZINC001229231236 1375791731 /nfs/dbraw/zinc/79/17/31/1375791731.db2.gz OFHADFMZSQBEST-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133191701 1375832757 /nfs/dbraw/zinc/83/27/57/1375832757.db2.gz SBFRIZPBLKXVES-BGGMYYEUSA-N 2 0 337.552 3.149 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC001229496842 1375846524 /nfs/dbraw/zinc/84/65/24/1375846524.db2.gz WIHRLPWEIPZNDD-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229686695 1375876331 /nfs/dbraw/zinc/87/63/31/1375876331.db2.gz XXAJIDVYGDYYLM-LJQANCHMSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(CC)CC)C1 ZINC001133263012 1375879400 /nfs/dbraw/zinc/87/94/00/1375879400.db2.gz NOXXWPVRFOLNMC-PKOBYXMFSA-N 2 0 339.568 3.229 20 0 EGADRP CCC(=O)C1(c2cccc(O[C@H]3CC[N@@H+](CC)C3)c2)CC[NH+](C)CC1 ZINC001229731665 1375881404 /nfs/dbraw/zinc/88/14/04/1375881404.db2.gz BEJQKKBFUQDQBU-IBGZPJMESA-N 2 0 344.499 3.102 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229985911 1375924850 /nfs/dbraw/zinc/92/48/50/1375924850.db2.gz XXEDLWXHVPYCTG-DYESRHJHSA-N 2 0 345.531 3.090 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229985912 1375924955 /nfs/dbraw/zinc/92/49/55/1375924955.db2.gz XXEDLWXHVPYCTG-LAUBAEHRSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001230107590 1375943864 /nfs/dbraw/zinc/94/38/64/1375943864.db2.gz MYGDAUYOCOCKHX-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001230280264 1375982917 /nfs/dbraw/zinc/98/29/17/1375982917.db2.gz RWTPPMXSQNFXMU-ASOYJQDNSA-N 2 0 343.515 3.057 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230285162 1375983555 /nfs/dbraw/zinc/98/35/55/1375983555.db2.gz PTJMXNLQZHTNOH-ARJAWSKDSA-N 2 0 335.536 3.189 20 0 EGADRP Cc1cc(C)c(C[NH+]2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC001230374089 1376010330 /nfs/dbraw/zinc/01/03/30/1376010330.db2.gz IMPOOGRWWYYHAO-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378009 1376010790 /nfs/dbraw/zinc/01/07/90/1376010790.db2.gz IBFNSUFEQZFGIK-HCZHMGAMSA-N 2 0 349.563 3.434 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001230431390 1376028273 /nfs/dbraw/zinc/02/82/73/1376028273.db2.gz BHGVSTBZUPLXOS-UHFFFAOYSA-N 2 0 347.547 3.334 20 0 EGADRP Nc1[nH]c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2[nH+]1 ZINC001230516357 1376048101 /nfs/dbraw/zinc/04/81/01/1376048101.db2.gz PVKDDSXSBRDERL-UHFFFAOYSA-N 2 0 336.439 3.231 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612497 1376102657 /nfs/dbraw/zinc/10/26/57/1376102657.db2.gz BQGUMCAYDTYKNL-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001230617564 1376103727 /nfs/dbraw/zinc/10/37/27/1376103727.db2.gz CQYHWVAWDOKQQF-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631035 1376109626 /nfs/dbraw/zinc/10/96/26/1376109626.db2.gz WZBJRWRCEHVVJN-ROUKRRSUSA-N 2 0 349.563 3.386 20 0 EGADRP Cc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1Cl ZINC001231425249 1376240057 /nfs/dbraw/zinc/24/00/57/1376240057.db2.gz OWQZRXPQAYIGCE-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP CN1CCC([N@H+](Cc2cccc3c2OCCO3)C2CCCC2)CC1 ZINC001231888980 1376335734 /nfs/dbraw/zinc/33/57/34/1376335734.db2.gz XOEUZBNTSZUWAQ-UHFFFAOYSA-N 2 0 330.472 3.297 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cnc(F)cc1C ZINC001231984118 1376371372 /nfs/dbraw/zinc/37/13/72/1376371372.db2.gz OPQZTJYWNGGIFZ-UHFFFAOYSA-N 2 0 338.515 3.015 20 0 EGADRP C[C@@H]1CCN(Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001232015124 1376384751 /nfs/dbraw/zinc/38/47/51/1376384751.db2.gz BDFYTEOMZCEBIA-DYVFJYSZSA-N 2 0 344.459 3.298 20 0 EGADRP CCCc1noc([C@H]2CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001232016370 1376385395 /nfs/dbraw/zinc/38/53/95/1376385395.db2.gz WHOCECAEPVEHRF-ZDUSSCGKSA-N 2 0 325.416 3.278 20 0 EGADRP Oc1cncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001232044207 1376390186 /nfs/dbraw/zinc/39/01/86/1376390186.db2.gz FBYMXFDLUHWKKL-PMACEKPBSA-N 2 0 337.467 3.131 20 0 EGADRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3cccs3)cn2)CC1 ZINC001232366591 1376449061 /nfs/dbraw/zinc/44/90/61/1376449061.db2.gz YFSVIMSRLIPOHQ-KRWDZBQOSA-N 2 0 342.512 3.232 20 0 EGADRP Nc1ccc(F)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232511812 1376472825 /nfs/dbraw/zinc/47/28/25/1376472825.db2.gz RZBVGMAQLGZHGW-PKOBYXMFSA-N 2 0 339.458 3.362 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134518038 1376574632 /nfs/dbraw/zinc/57/46/32/1376574632.db2.gz AAHAWSPUCGQHEF-GJZGRUSLSA-N 2 0 339.549 3.486 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001233299815 1376607183 /nfs/dbraw/zinc/60/71/83/1376607183.db2.gz PBTKATUROMUPRY-BQYQJAHWSA-N 2 0 342.483 3.181 20 0 EGADRP CC[N@H+]1C[C@H]2CN(Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@H]2C1 ZINC001233340212 1376621766 /nfs/dbraw/zinc/62/17/66/1376621766.db2.gz SKMITCJGWXIOHI-CALCHBBNSA-N 2 0 345.487 3.417 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612334 1376623949 /nfs/dbraw/zinc/62/39/49/1376623949.db2.gz LEIGEVOBXJMBMW-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001134612172 1376624264 /nfs/dbraw/zinc/62/42/64/1376624264.db2.gz IUVZKEOBVBGJRW-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001134766777 1376710183 /nfs/dbraw/zinc/71/01/83/1376710183.db2.gz LZRVNVGDPGISEP-LHZAFZKQSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001134772372 1376711907 /nfs/dbraw/zinc/71/19/07/1376711907.db2.gz COCOPVWAIKXBFW-JKSUJKDBSA-N 2 0 327.557 3.416 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001134772442 1376712358 /nfs/dbraw/zinc/71/23/58/1376712358.db2.gz DFFBOSMHGOORBU-QZTJIDSGSA-N 2 0 347.547 3.407 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134774157 1376714089 /nfs/dbraw/zinc/71/40/89/1376714089.db2.gz VYMDNKLVXVKBQC-SFDDJJRUSA-N 2 0 325.541 3.336 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF)ccc2c[nH+]cn21 ZINC001134808908 1376737274 /nfs/dbraw/zinc/73/72/74/1376737274.db2.gz MVGBSTWDMXNZOU-GJZGRUSLSA-N 2 0 348.466 3.269 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857779 1376757509 /nfs/dbraw/zinc/75/75/09/1376757509.db2.gz JEHSMJXZRODUQB-ZWKOTPCHSA-N 2 0 349.563 3.458 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234216368 1376788420 /nfs/dbraw/zinc/78/84/20/1376788420.db2.gz WMTHWBCSYAOCMB-JNVNVXKGSA-N 2 0 335.536 3.138 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001189110540 1388459952 /nfs/dbraw/zinc/45/99/52/1388459952.db2.gz RDPVYKBYTYBSBV-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323910 1376810776 /nfs/dbraw/zinc/81/07/76/1376810776.db2.gz WDCXCKFHMPLBIT-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993998 1376832647 /nfs/dbraw/zinc/83/26/47/1376832647.db2.gz NRGLBPKJWIZALV-KBPBESRZSA-N 2 0 342.468 3.083 20 0 EGADRP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235190507 1376857895 /nfs/dbraw/zinc/85/78/95/1376857895.db2.gz KJEYOUKLOQKYLC-RTWAWAEBSA-N 2 0 335.495 3.461 20 0 EGADRP Fc1cc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc(OCc2ccccc2)c1 ZINC001235339324 1376868837 /nfs/dbraw/zinc/86/88/37/1376868837.db2.gz FRUDKGIHTAJPNT-SFHVURJKSA-N 2 0 340.442 3.446 20 0 EGADRP Oc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001235427801 1376869704 /nfs/dbraw/zinc/86/97/04/1376869704.db2.gz OHCZTHYYCVGOIP-RTBURBONSA-N 2 0 344.499 3.393 20 0 EGADRP c1ccc([C@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001235666783 1376883571 /nfs/dbraw/zinc/88/35/71/1376883571.db2.gz VVJMNQWNHOVECC-NRFANRHFSA-N 2 0 335.495 3.476 20 0 EGADRP Clc1ccc([C@@H]2C[NH2+]CCN2Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001235814978 1376897534 /nfs/dbraw/zinc/89/75/34/1376897534.db2.gz NWVRYUHVSKRTSF-KRWDZBQOSA-N 2 0 347.915 3.194 20 0 EGADRP CCOc1cc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)c(F)cn1 ZINC001235874782 1376907161 /nfs/dbraw/zinc/90/71/61/1376907161.db2.gz SBFCZGZZIVSZEK-UHFFFAOYSA-N 2 0 343.446 3.457 20 0 EGADRP [NH3+]Cc1cccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC001235969805 1376924112 /nfs/dbraw/zinc/92/41/12/1376924112.db2.gz CXZOQBSFVYXSDT-UHFFFAOYSA-N 2 0 332.451 3.016 20 0 EGADRP c1ccc(C[N@H+](C2CC2)[C@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236207912 1376941385 /nfs/dbraw/zinc/94/13/85/1376941385.db2.gz DDKGRMKIQPPOLZ-CTNGQTDRSA-N 2 0 327.516 3.115 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001135179917 1376953258 /nfs/dbraw/zinc/95/32/58/1376953258.db2.gz BQJROTFIOHZJAL-ROUUACIJSA-N 2 0 345.531 3.242 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1F)[NH+](C)C ZINC001327263955 1388472711 /nfs/dbraw/zinc/47/27/11/1388472711.db2.gz IILUTAJTYCPPFS-YJBOKZPZSA-N 2 0 337.483 3.007 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC001242152685 1377022839 /nfs/dbraw/zinc/02/28/39/1377022839.db2.gz NXRTVNMQJQQQPX-UHFFFAOYSA-N 2 0 343.471 3.020 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299120 1377027328 /nfs/dbraw/zinc/02/73/28/1377027328.db2.gz UNVPPGYXGXQYGY-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]CCc2cc(Br)ccc2OC)CC[NH2+]1 ZINC001246159215 1377050321 /nfs/dbraw/zinc/05/03/21/1377050321.db2.gz NXNAYMHOIQXYQF-HUUCEWRRSA-N 2 0 341.293 3.120 20 0 EGADRP CCCC[C@H]1C[C@@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380425 1377051608 /nfs/dbraw/zinc/05/16/08/1377051608.db2.gz HCGJRZVKWWOWKV-OALUTQOASA-N 2 0 347.522 3.391 20 0 EGADRP Fc1ccccc1CC1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246380819 1377051691 /nfs/dbraw/zinc/05/16/91/1377051691.db2.gz KPIYZOQSOVXNAH-AZUAARDMSA-N 3 0 345.506 3.002 20 0 EGADRP [NH3+]C[C@H]1CCCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246546262 1377052079 /nfs/dbraw/zinc/05/20/79/1377052079.db2.gz ZVDFOAVXOQOWNJ-PLACYPQZSA-N 2 0 327.516 3.385 20 0 EGADRP C[C@@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC001246547046 1377052228 /nfs/dbraw/zinc/05/22/28/1377052228.db2.gz ALBZHMALEPJXTI-FJWRRNOESA-N 2 0 329.532 3.345 20 0 EGADRP C[C@@H]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC001246547047 1377052657 /nfs/dbraw/zinc/05/26/57/1377052657.db2.gz ALBZHMALEPJXTI-LXZJYRNTSA-N 2 0 329.532 3.345 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764433 1377054533 /nfs/dbraw/zinc/05/45/33/1377054533.db2.gz GPZDFOJJDCTZHO-LPKWFMKBSA-N 2 0 327.516 3.237 20 0 EGADRP C[N@@H+]1CCC[C@@H](N(CC[NH3+])Cc2ccc(Cl)cc2Cl)CC1 ZINC001246820851 1377054957 /nfs/dbraw/zinc/05/49/57/1377054957.db2.gz KLEDMCWZOFJAOZ-OAHLLOKOSA-N 2 0 330.303 3.238 20 0 EGADRP C[C@@H]1CC[C@@H]([NH3+])CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246819996 1377055292 /nfs/dbraw/zinc/05/52/92/1377055292.db2.gz HIHNUXSCURNAEC-LELZANKISA-N 2 0 327.516 3.384 20 0 EGADRP Fc1ccc(CN(C2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246937492 1377055770 /nfs/dbraw/zinc/05/57/70/1377055770.db2.gz PHLXKBNEDDKSSG-OAQYLSRUSA-N 2 0 345.506 3.254 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)C2 ZINC001246938180 1377055944 /nfs/dbraw/zinc/05/59/44/1377055944.db2.gz RQOZHPIPTSYJJB-WOZUAGRISA-N 2 0 345.506 3.395 20 0 EGADRP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@H]2CC3CCN(CC3)C2)cc1 ZINC001246938962 1377056099 /nfs/dbraw/zinc/05/60/99/1377056099.db2.gz QMTTZGDTVFLISB-NRFANRHFSA-N 2 0 345.506 3.112 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375494 1377061244 /nfs/dbraw/zinc/06/12/44/1377061244.db2.gz MIYVIFFVDYKBFW-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](Cc2cccc3nc(C)ccc23)CC1 ZINC001248550530 1377069312 /nfs/dbraw/zinc/06/93/12/1377069312.db2.gz NUHKTZWJCWQNPE-UHFFFAOYSA-N 2 0 340.515 3.003 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CCCc1cccc(C)c1 ZINC001135436938 1377096962 /nfs/dbraw/zinc/09/69/62/1377096962.db2.gz GYGCCMFIKVXAKZ-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H](O)C(C)C)CC3)c1 ZINC001253759457 1377100092 /nfs/dbraw/zinc/10/00/92/1377100092.db2.gz BDLPTNGWMHYCID-HXUWFJFHSA-N 2 0 346.515 3.000 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001254509346 1377105151 /nfs/dbraw/zinc/10/51/51/1377105151.db2.gz ZSHKFIRGGDMRAQ-IAGOWNOFSA-N 2 0 337.305 3.380 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511120 1377105344 /nfs/dbraw/zinc/10/53/44/1377105344.db2.gz WCDCUFRXLKSRSY-FHWLQOOXSA-N 3 0 333.495 3.382 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)C(C)C ZINC001135474085 1377110011 /nfs/dbraw/zinc/11/00/11/1377110011.db2.gz GOBXETMUAFIAGD-WOJBJXKFSA-N 2 0 345.531 3.136 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C)C(C)C ZINC001135474025 1377110149 /nfs/dbraw/zinc/11/01/49/1377110149.db2.gz DPODWAYARTWCGF-QUCCMNQESA-N 2 0 347.547 3.437 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1cc2ccccc2o1)C(C)C ZINC001135478034 1377111626 /nfs/dbraw/zinc/11/16/26/1377111626.db2.gz UERXBHOBNFJRNB-IBGZPJMESA-N 2 0 345.487 3.005 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258570323 1377118000 /nfs/dbraw/zinc/11/80/00/1377118000.db2.gz MGQFSQCNRYGWTD-IOJLRTSASA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614718 1377163174 /nfs/dbraw/zinc/16/31/74/1377163174.db2.gz YTVWDIAVBUUSMX-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CCc1ccccc1CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135747573 1377200699 /nfs/dbraw/zinc/20/06/99/1377200699.db2.gz SLVUAAKSJOREGY-MSOLQXFVSA-N 2 0 347.547 3.006 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767543 1377206017 /nfs/dbraw/zinc/20/60/17/1377206017.db2.gz FLMULRVYSBCGPH-RBUKOAKNSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC(C)(C)C ZINC001135767516 1377206076 /nfs/dbraw/zinc/20/60/76/1377206076.db2.gz FEXNFFWTWGGLHO-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1=CCCCC1 ZINC001135767849 1377206429 /nfs/dbraw/zinc/20/64/29/1377206429.db2.gz IZVJAGBJTUTVJJ-MOPGFXCFSA-N 2 0 349.563 3.482 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788545 1377211266 /nfs/dbraw/zinc/21/12/66/1377211266.db2.gz HMIZPZMDMYNYBA-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135861915 1377238708 /nfs/dbraw/zinc/23/87/08/1377238708.db2.gz YUHVSNFVEPHWHK-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC1 ZINC001135906509 1377258109 /nfs/dbraw/zinc/25/81/09/1377258109.db2.gz CYAFTTXSGBMAAT-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944436 1377272514 /nfs/dbraw/zinc/27/25/14/1377272514.db2.gz JPGPYNQBYMBQBJ-HZPDHXFCSA-N 2 0 334.508 3.070 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944644 1377272917 /nfs/dbraw/zinc/27/29/17/1377272917.db2.gz NQQJAZHUVJXLQL-HZPDHXFCSA-N 2 0 348.535 3.460 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135974393 1377282705 /nfs/dbraw/zinc/28/27/05/1377282705.db2.gz OGOATVBWGASBKH-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CCCC[NH+](C)C ZINC001135974562 1377283567 /nfs/dbraw/zinc/28/35/67/1377283567.db2.gz RCCMMXRUGJTXBL-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135978979 1377284921 /nfs/dbraw/zinc/28/49/21/1377284921.db2.gz AHIQTXMMHTZHJM-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001135996441 1377292322 /nfs/dbraw/zinc/29/23/22/1377292322.db2.gz SWTOBXAUGQSOKW-CABCVRRESA-N 2 0 339.549 3.161 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135995671 1377292362 /nfs/dbraw/zinc/29/23/62/1377292362.db2.gz JFOJGHIIPBUVRG-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135997085 1377293307 /nfs/dbraw/zinc/29/33/07/1377293307.db2.gz YCWWRQJKNRKVAR-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266479703 1377317802 /nfs/dbraw/zinc/31/78/02/1377317802.db2.gz BFAFNIKNXHDQRF-OALUTQOASA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001266632317 1377352601 /nfs/dbraw/zinc/35/26/01/1377352601.db2.gz AGTDKVMOHJFTFM-HUYLIWGRSA-N 2 0 345.531 3.448 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001136163101 1377359742 /nfs/dbraw/zinc/35/97/42/1377359742.db2.gz UMJYHDWEMHODNZ-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001266913869 1377402114 /nfs/dbraw/zinc/40/21/14/1377402114.db2.gz RSOCPSHRVCROHM-MHJFOBGBSA-N 2 0 345.531 3.497 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266972090 1377406129 /nfs/dbraw/zinc/40/61/29/1377406129.db2.gz UISJXDCBOSZRCQ-DLBZAZTESA-N 2 0 333.520 3.128 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136974692 1377448708 /nfs/dbraw/zinc/44/87/08/1377448708.db2.gz IWPWTDISRSEQFN-UHFFFAOYSA-N 2 0 342.531 3.326 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cncc(Cl)c1 ZINC001136996476 1377453306 /nfs/dbraw/zinc/45/33/06/1377453306.db2.gz KKCIVJYQKNYLOB-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP c1[nH]c2ncccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137403686 1377541366 /nfs/dbraw/zinc/54/13/66/1377541366.db2.gz YAOLLKGPIKLSKD-OALUTQOASA-N 2 0 332.451 3.127 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001137412332 1377543241 /nfs/dbraw/zinc/54/32/41/1377543241.db2.gz WEVMURMANRUNFB-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP c1ccc(N2CCCCC2)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001138603690 1377751612 /nfs/dbraw/zinc/75/16/12/1377751612.db2.gz HNTPPIZJIYVKMU-UHFFFAOYSA-N 2 0 336.483 3.394 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CCCOC3)CC2)cc1 ZINC001138771766 1377782219 /nfs/dbraw/zinc/78/22/19/1377782219.db2.gz CBESYMDZDCPUQM-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCc2cccc(F)c2)cc1 ZINC001138772259 1377782225 /nfs/dbraw/zinc/78/22/25/1377782225.db2.gz VZKNCFGFJRPDKR-UHFFFAOYSA-N 2 0 330.447 3.441 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC001138772699 1377782257 /nfs/dbraw/zinc/78/22/57/1377782257.db2.gz XFJSRESOEHJVHX-HXUWFJFHSA-N 2 0 339.483 3.229 20 0 EGADRP Cc1c[nH]c(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)n1 ZINC001138936616 1377805356 /nfs/dbraw/zinc/80/53/56/1377805356.db2.gz MJABGSDGFLRMLH-QGZVFWFLSA-N 2 0 328.460 3.188 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001139360239 1377874254 /nfs/dbraw/zinc/87/42/54/1377874254.db2.gz NTQRFPQTKIUYKT-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP O=c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001139471488 1377890552 /nfs/dbraw/zinc/89/05/52/1377890552.db2.gz XRTXYQDUNDBPSD-PMACEKPBSA-N 2 0 337.467 3.131 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(C(=O)OC)c12 ZINC001139721887 1377941150 /nfs/dbraw/zinc/94/11/50/1377941150.db2.gz CRUNLJNWYIPWRW-UHFFFAOYSA-N 2 0 331.460 3.118 20 0 EGADRP Cc1nccn1-c1ccccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001140027343 1377992516 /nfs/dbraw/zinc/99/25/16/1377992516.db2.gz JFEBAESKSMTKGG-UHFFFAOYSA-N 2 0 347.466 3.206 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3ccncn3)C[C@H]21 ZINC001140343332 1378050183 /nfs/dbraw/zinc/05/01/83/1378050183.db2.gz DHTQUDNLSNXBIP-KFKAGJAMSA-N 2 0 342.512 3.271 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)CC1 ZINC001140412795 1378058900 /nfs/dbraw/zinc/05/89/00/1378058900.db2.gz GJBHZCNIDABLSJ-UHFFFAOYSA-N 2 0 342.874 3.325 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)CC1 ZINC001140526835 1378078102 /nfs/dbraw/zinc/07/81/02/1378078102.db2.gz ACJKYWITBYBWON-UHFFFAOYSA-N 2 0 338.499 3.426 20 0 EGADRP Fc1nccc(Cl)c1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001275532046 1378141338 /nfs/dbraw/zinc/14/13/38/1378141338.db2.gz KRBGRSCQGVZPDF-UHFFFAOYSA-N 2 0 348.853 3.300 20 0 EGADRP CS[C@@H](C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001276470723 1378174938 /nfs/dbraw/zinc/17/49/38/1378174938.db2.gz QQZDRILUWAPKCA-OKZBNKHCSA-N 2 0 336.549 3.049 20 0 EGADRP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3CCCCN3Cc3ccccc3)C[C@H]2CC1 ZINC001276492527 1378175770 /nfs/dbraw/zinc/17/57/70/1378175770.db2.gz VXHVIWVCSNIKQZ-BDTNDASRSA-N 2 0 341.543 3.315 20 0 EGADRP COc1ccc(-c2cccc(C[NH+]3CC4(C3)CC[NH+](C)CC4)n2)cc1 ZINC001140959941 1378194190 /nfs/dbraw/zinc/19/41/90/1378194190.db2.gz NNUCIGWKGBOXSI-UHFFFAOYSA-N 2 0 337.467 3.285 20 0 EGADRP Cc1ncoc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141056774 1378223682 /nfs/dbraw/zinc/22/36/82/1378223682.db2.gz DMWXHPUJTFRTCD-RTBURBONSA-N 2 0 325.456 3.327 20 0 EGADRP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[NH+](C[C@@H]1COCCO1)CC2 ZINC001277524620 1378230954 /nfs/dbraw/zinc/23/09/54/1378230954.db2.gz IKIUMORVCYLEBK-RTBURBONSA-N 2 0 338.536 3.016 20 0 EGADRP C[NH+]1CCC(N2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001277624659 1378240514 /nfs/dbraw/zinc/24/05/14/1378240514.db2.gz GFDQGQCPYWFGIM-KRWDZBQOSA-N 2 0 347.469 3.211 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3ccc(-c4ncccn4)cc3)CC2)cc[nH+]1 ZINC001141191108 1378262538 /nfs/dbraw/zinc/26/25/38/1378262538.db2.gz HFCJLOMXLBVIRZ-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](Cc3c[nH]c4cc(Cl)ccc34)CC2)CC1 ZINC001141583491 1378346374 /nfs/dbraw/zinc/34/63/74/1378346374.db2.gz IEEUTLPJFKBNGK-UHFFFAOYSA-N 2 0 346.906 3.033 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccsc1 ZINC001141610175 1378350873 /nfs/dbraw/zinc/35/08/73/1378350873.db2.gz FUFPDCFKHBMKBP-MRXNPFEDSA-N 2 0 339.549 3.225 20 0 EGADRP Cn1cc2c(cccc2C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001142460515 1378444884 /nfs/dbraw/zinc/44/48/84/1378444884.db2.gz LTLJDLQYPXZOFZ-WOJBJXKFSA-N 2 0 346.478 3.137 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001281888848 1378455804 /nfs/dbraw/zinc/45/58/04/1378455804.db2.gz HXLPTKUEEUEDIE-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C)cc1 ZINC001281968374 1378465586 /nfs/dbraw/zinc/46/55/86/1378465586.db2.gz KEIXSVLVLSPFHI-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)CC(C)(C)C ZINC001143140336 1378546109 /nfs/dbraw/zinc/54/61/09/1378546109.db2.gz NJFPVQXDEOBAKW-ZWKOTPCHSA-N 2 0 339.568 3.323 20 0 EGADRP Cc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(F)cc1Br ZINC001144583925 1378747900 /nfs/dbraw/zinc/74/79/00/1378747900.db2.gz OOGPURSCCSYUHI-OCCSQVGLSA-N 2 0 341.268 3.280 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CC/C=C/c1ccccc1 ZINC001146399063 1378835064 /nfs/dbraw/zinc/83/50/64/1378835064.db2.gz UHXFLZIMCSGVPV-QGLIQOTESA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cccc(F)c1 ZINC001146533856 1378861414 /nfs/dbraw/zinc/86/14/14/1378861414.db2.gz HRGPPPSDARLEES-SJORKVTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537228 1378863246 /nfs/dbraw/zinc/86/32/46/1378863246.db2.gz XNMDYTOLKJQVKR-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001146592730 1378873424 /nfs/dbraw/zinc/87/34/24/1378873424.db2.gz KXOJQUYTXBKGQW-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001147359183 1379008608 /nfs/dbraw/zinc/00/86/08/1379008608.db2.gz NGVSXOBUIJXPMX-ACBHZAAOSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+]CCC1CCCCC1)c1ccccc1 ZINC001147410116 1379015785 /nfs/dbraw/zinc/01/57/85/1379015785.db2.gz MHUIMWICYSGVKK-OAQYLSRUSA-N 2 0 345.531 3.140 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001147449542 1379022938 /nfs/dbraw/zinc/02/29/38/1379022938.db2.gz TUEOWRGADDIRHJ-WQLSENKSSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCCC1)C2 ZINC001148174583 1379128305 /nfs/dbraw/zinc/12/83/05/1379128305.db2.gz QCDPLHOHVGSCPW-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)C2 ZINC001148458132 1379175731 /nfs/dbraw/zinc/17/57/31/1379175731.db2.gz KJKIWADXQFRJBE-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827870 1379277807 /nfs/dbraw/zinc/27/78/07/1379277807.db2.gz PHSPXGZTGKPSCN-SNAWJCMRSA-N 2 0 347.547 3.143 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC001149140461 1379332946 /nfs/dbraw/zinc/33/29/46/1379332946.db2.gz WGIWYGYWYUPFCV-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313711 1380054008 /nfs/dbraw/zinc/05/40/08/1380054008.db2.gz VQZWTPKQQUCOQC-AEFFLSMTSA-N 2 0 325.541 3.122 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CCC2=CCCCC2)o1 ZINC001153266713 1380046691 /nfs/dbraw/zinc/04/66/91/1380046691.db2.gz KDVQWFBGWLXMRQ-UHFFFAOYSA-N 2 0 347.503 3.331 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153367682 1380066007 /nfs/dbraw/zinc/06/60/07/1380066007.db2.gz CBEZMWNWKRLWKK-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153677611 1380113397 /nfs/dbraw/zinc/11/33/97/1380113397.db2.gz JJRMGZYRZMMSEW-IAGOWNOFSA-N 2 0 331.520 3.073 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153727946 1380119411 /nfs/dbraw/zinc/11/94/11/1380119411.db2.gz ITWNZQRWPIKLOO-BGGMYYEUSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819094 1380136043 /nfs/dbraw/zinc/13/60/43/1380136043.db2.gz NEMVEOJCKGTCPF-UYAOXDASSA-N 2 0 345.531 3.276 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879253 1380148209 /nfs/dbraw/zinc/14/82/09/1380148209.db2.gz BYISTWMTEMDFSB-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879894 1380148878 /nfs/dbraw/zinc/14/88/78/1380148878.db2.gz ORJOUBSAVSPZNN-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879953 1380148904 /nfs/dbraw/zinc/14/89/04/1380148904.db2.gz QFLYEFGUMWRIKI-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccccc1C)[NH+](C)C ZINC001154001781 1380175122 /nfs/dbraw/zinc/17/51/22/1380175122.db2.gz WONCADLXLVGUBP-UYAOXDASSA-N 2 0 347.547 3.094 20 0 EGADRP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033699 1380187070 /nfs/dbraw/zinc/18/70/70/1380187070.db2.gz JTMJPXYDBJDDCQ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034349 1380188295 /nfs/dbraw/zinc/18/82/95/1380188295.db2.gz ZBZILBFHQAYEIQ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154887691 1380373122 /nfs/dbraw/zinc/37/31/22/1380373122.db2.gz CPHKFFGTKWPCMW-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CC[N@H+](CCCc1ccccc1C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154908928 1380374962 /nfs/dbraw/zinc/37/49/62/1380374962.db2.gz CYNAOFHCXKXIGL-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP COc1cc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)c2cc1OC ZINC001155024385 1380393359 /nfs/dbraw/zinc/39/33/59/1380393359.db2.gz HIYHCJOAOSIEDQ-ZFWWWQNUSA-N 2 0 329.444 3.300 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066674 1380401478 /nfs/dbraw/zinc/40/14/78/1380401478.db2.gz MVQUWCVGNHBFKN-LLSOJIOMSA-N 2 0 325.541 3.146 20 0 EGADRP CCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCC[C@H]2C)cc1 ZINC001155225839 1380426304 /nfs/dbraw/zinc/42/63/04/1380426304.db2.gz AJJLJQIXVAUIPK-QZTJIDSGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155262896 1380430238 /nfs/dbraw/zinc/43/02/38/1380430238.db2.gz KNEHKQDEZXKJNR-MRXNPFEDSA-N 2 0 327.557 3.227 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838686 1380497958 /nfs/dbraw/zinc/49/79/58/1380497958.db2.gz ARXSLCPMRAASQU-QGZVFWFLSA-N 2 0 331.504 3.155 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C)C(C)C ZINC001155883847 1380502420 /nfs/dbraw/zinc/50/24/20/1380502420.db2.gz MHFAMDRJZDCRPY-MSOLQXFVSA-N 2 0 325.541 3.146 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C\Cl ZINC001156306968 1380555021 /nfs/dbraw/zinc/55/50/21/1380555021.db2.gz YIPXUFHXBXEEEJ-OQUOUOFJSA-N 2 0 343.943 3.220 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374176 1380566806 /nfs/dbraw/zinc/56/68/06/1380566806.db2.gz LTGDLOMAAMMQEO-MJGOQNOKSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935762 1380733742 /nfs/dbraw/zinc/73/37/42/1380733742.db2.gz VZUOAGXZQSOZFC-GOSISDBHSA-N 2 0 345.531 3.232 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961329 1380737994 /nfs/dbraw/zinc/73/79/94/1380737994.db2.gz MWYRXKKHAWRWTK-GOSISDBHSA-N 2 0 325.541 3.269 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1c(Cl)ccc2ccc(Cl)nc21 ZINC001157102436 1380775875 /nfs/dbraw/zinc/77/58/75/1380775875.db2.gz XQNANTGPPROTQO-UHFFFAOYSA-N 2 0 326.231 3.217 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109235 1380777829 /nfs/dbraw/zinc/77/78/29/1380777829.db2.gz KEPNIMKQBGQRNI-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112997 1380778425 /nfs/dbraw/zinc/77/84/25/1380778425.db2.gz FNPCQWZJCTWAQR-LMICACPXSA-N 2 0 345.531 3.257 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157119205 1380780396 /nfs/dbraw/zinc/78/03/96/1380780396.db2.gz QTGWOBRZHYPZBY-MOPGFXCFSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(c3ccc([C@H]4CCCC[NH+]4CC)cn3)C[C@H]2C1 ZINC001157698061 1381006566 /nfs/dbraw/zinc/00/65/66/1381006566.db2.gz BICCEIIOIKEXOB-HSALFYBXSA-N 2 0 342.531 3.407 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC001157804209 1381038086 /nfs/dbraw/zinc/03/80/86/1381038086.db2.gz OQWNKUXUGBZDAJ-NZSAHSFTSA-N 2 0 331.504 3.045 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973405 1381089061 /nfs/dbraw/zinc/08/90/61/1381089061.db2.gz ASUQTEBIWPCEJM-PDTMIUJASA-N 2 0 349.563 3.386 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158089766 1381125416 /nfs/dbraw/zinc/12/54/16/1381125416.db2.gz AJYGCWMVOSZJCG-SFFCAUCYSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228320 1381167646 /nfs/dbraw/zinc/16/76/46/1381167646.db2.gz ZZTINHOSNCOPEX-LJQANCHMSA-N 2 0 340.471 3.227 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cc1C ZINC001328266103 1388704313 /nfs/dbraw/zinc/70/43/13/1388704313.db2.gz GVDAZHLXPGXXKB-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001158437951 1381247298 /nfs/dbraw/zinc/24/72/98/1381247298.db2.gz HQOYSSKNPRLQLG-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158445060 1381247853 /nfs/dbraw/zinc/24/78/53/1381247853.db2.gz ITOPIHSULNKKHV-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)CC1 ZINC001158450473 1381249729 /nfs/dbraw/zinc/24/97/29/1381249729.db2.gz RSNORTFAVZGKMI-CTWPCTMYSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC12CCCCC2 ZINC001158703728 1381358615 /nfs/dbraw/zinc/35/86/15/1381358615.db2.gz UPRFXKGEVGQOSC-IBGZPJMESA-N 2 0 347.547 3.260 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001158922821 1381465369 /nfs/dbraw/zinc/46/53/69/1381465369.db2.gz IRAGVVNMPCAQOE-GOSISDBHSA-N 2 0 339.568 3.466 20 0 EGADRP CCCn1c2ccccc2nc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328413320 1388739988 /nfs/dbraw/zinc/73/99/88/1388739988.db2.gz XNRNRFROGHVAKE-UHFFFAOYSA-N 2 0 326.488 3.412 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC2CC[NH+](C)CC2)cc1C ZINC001328414062 1388740490 /nfs/dbraw/zinc/74/04/90/1388740490.db2.gz IAAGJGQVQWUZFP-SFHVURJKSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001159335029 1381767871 /nfs/dbraw/zinc/76/78/71/1381767871.db2.gz PCIZGUGXFHSSRX-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP c1cc(N2CCOCC2)c(Nc2ccc(C3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001159366046 1381778140 /nfs/dbraw/zinc/77/81/40/1381778140.db2.gz SADMHJZAXOVWCA-UHFFFAOYSA-N 2 0 338.455 3.129 20 0 EGADRP c1cc(Nc2ccc3c(c2)CC[NH2+]C3)ccc1COC1CC[NH2+]CC1 ZINC001159603257 1381843480 /nfs/dbraw/zinc/84/34/80/1381843480.db2.gz FDXPRNCUMFOHQX-UHFFFAOYSA-N 2 0 337.467 3.345 20 0 EGADRP CC1CCC(C[N@H+]2CC=C(CCNC(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001159628381 1381852315 /nfs/dbraw/zinc/85/23/15/1381852315.db2.gz HHJYLJDIBAMOCM-UUKMXZOPSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1ccc(-c2csc3ncnc(N[C@H]([NH3+])CCC[NH3+])c23)cc1 ZINC001159784038 1381898754 /nfs/dbraw/zinc/89/87/54/1381898754.db2.gz GMHAFNNBFBHSLJ-AWEZNQCLSA-N 2 0 327.457 3.102 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])NC(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001159787690 1381900288 /nfs/dbraw/zinc/90/02/88/1381900288.db2.gz BGELOBMRWARPHC-GFCCVEGCSA-N 2 0 346.834 3.126 20 0 EGADRP c1ccc(C[N@@H+]2CCC=C(Nc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001159813036 1381908036 /nfs/dbraw/zinc/90/80/36/1381908036.db2.gz OCIBGYBZPGHZBT-UHFFFAOYSA-N 2 0 348.494 3.298 20 0 EGADRP COc1ccc2c(Nc3ccccc3N3CC[NH2+]CC3)cc[nH+]c2c1 ZINC001159812728 1381908072 /nfs/dbraw/zinc/90/80/72/1381908072.db2.gz DQWGWNLJVTUHLG-UHFFFAOYSA-N 2 0 334.423 3.397 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC001159838220 1381917161 /nfs/dbraw/zinc/91/71/61/1381917161.db2.gz JVPSSWXQWRSEQS-AZUAARDMSA-N 2 0 345.531 3.130 20 0 EGADRP [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc(N4CCCC4)cc[nH+]3)c2C1 ZINC001159947548 1381946072 /nfs/dbraw/zinc/94/60/72/1381946072.db2.gz FDKROKFUHASPAG-OAHLLOKOSA-N 2 0 332.451 3.442 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159980544 1381957633 /nfs/dbraw/zinc/95/76/33/1381957633.db2.gz VJQRCBMTJJYLBL-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP [NH3+]C1CCN(c2ccc(F)cc2Nc2cccc3c2CC[NH2+]C3)CC1 ZINC001160079563 1381991369 /nfs/dbraw/zinc/99/13/69/1381991369.db2.gz NVPYTPZQWKVICL-UHFFFAOYSA-N 2 0 340.446 3.143 20 0 EGADRP CC(C)([NH3+])c1ccc(N(c2ccc(F)cc2N)C2CC[NH2+]CC2)cc1 ZINC001160091829 1381994870 /nfs/dbraw/zinc/99/48/70/1381994870.db2.gz SMUDBHQCZDQYQZ-UHFFFAOYSA-N 2 0 342.462 3.492 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CCCC(C)C)CC2)CC[N@@H+]1C ZINC001160169355 1382023067 /nfs/dbraw/zinc/02/30/67/1382023067.db2.gz QGHKZJYEGNPZLK-VQTJNVASSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353052 1382081059 /nfs/dbraw/zinc/08/10/59/1382081059.db2.gz OKSKHHLVPLYPSU-UYAOXDASSA-N 2 0 349.563 3.149 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1)C1CC1 ZINC001160360285 1382081924 /nfs/dbraw/zinc/08/19/24/1382081924.db2.gz NGFHLLNQQLHZHE-LJQANCHMSA-N 2 0 349.563 3.291 20 0 EGADRP C[N@H+](CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)CC(C)(C)C ZINC001160368997 1382084497 /nfs/dbraw/zinc/08/44/97/1382084497.db2.gz RIYNSKCHWZMKIS-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160400536 1382094133 /nfs/dbraw/zinc/09/41/33/1382094133.db2.gz UPFKFZCDUUNBQR-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400443 1382094306 /nfs/dbraw/zinc/09/43/06/1382094306.db2.gz QTGBRSKBPWEKRX-DPZZJQGRSA-N 2 0 347.547 3.356 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1)[NH+](C)C ZINC001160479111 1382118088 /nfs/dbraw/zinc/11/80/88/1382118088.db2.gz ONFNFROERQJTRN-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001160501113 1382125095 /nfs/dbraw/zinc/12/50/95/1382125095.db2.gz XBQVRGITTSEBLT-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001160500742 1382125343 /nfs/dbraw/zinc/12/53/43/1382125343.db2.gz RRWBIZZNDGUDKW-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1c(Cl)ccc2ccc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)nc12 ZINC001160513723 1382127100 /nfs/dbraw/zinc/12/71/00/1382127100.db2.gz PVGBXFADIMBXDT-GOSISDBHSA-N 2 0 330.863 3.032 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567586 1382144453 /nfs/dbraw/zinc/14/44/53/1382144453.db2.gz GHTUFUBXMSXWLB-AZUAARDMSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567589 1382144667 /nfs/dbraw/zinc/14/46/67/1382144667.db2.gz GHTUFUBXMSXWLB-UYAOXDASSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568448 1382145139 /nfs/dbraw/zinc/14/51/39/1382145139.db2.gz VDFWUHWGYVSEBX-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)Cc1ccc([C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C)cc1 ZINC001160751321 1382186967 /nfs/dbraw/zinc/18/69/67/1382186967.db2.gz WGMDEIAHPILVEF-PMACEKPBSA-N 2 0 347.547 3.190 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786898 1382195861 /nfs/dbraw/zinc/19/58/61/1382195861.db2.gz HLXMNXFTMGWVHK-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160786622 1382196172 /nfs/dbraw/zinc/19/61/72/1382196172.db2.gz AQHNSEXPCNURNL-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC1CC(C[N@H+]2CC=C(CCNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001160855948 1382217070 /nfs/dbraw/zinc/21/70/70/1382217070.db2.gz DDZKZCQIOQLSON-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP [NH3+]CCc1cn(C(F)(F)c2ccc(F)c(Cl)n2)c2cc[nH+]cc12 ZINC001160944243 1382245777 /nfs/dbraw/zinc/24/57/77/1382245777.db2.gz ACBISHDVWCYXON-UHFFFAOYSA-N 2 0 340.736 3.323 20 0 EGADRP CCc1c(Cl)nnc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1CC ZINC001160945757 1382246725 /nfs/dbraw/zinc/24/67/25/1382246725.db2.gz KNODZIXFNZEWTN-UHFFFAOYSA-N 2 0 329.835 3.095 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001161029662 1382277640 /nfs/dbraw/zinc/27/76/40/1382277640.db2.gz QMEPURMTMOIKGD-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001293591213 1382309346 /nfs/dbraw/zinc/30/93/46/1382309346.db2.gz PYBMMENDVUONMO-LBPRGKRZSA-N 2 0 334.379 3.151 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161207281 1382341728 /nfs/dbraw/zinc/34/17/28/1382341728.db2.gz RTKZHXZSFLNCBW-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161207279 1382341918 /nfs/dbraw/zinc/34/19/18/1382341918.db2.gz RTKZHXZSFLNCBW-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CCC(C)C)CC1)[NH+](CC)CC ZINC001161214306 1382344417 /nfs/dbraw/zinc/34/44/17/1382344417.db2.gz YKGDYDSIBDUJFR-IBGZPJMESA-N 2 0 337.552 3.291 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219666 1382346340 /nfs/dbraw/zinc/34/63/40/1382346340.db2.gz KHKUEJRUZGUOQL-WAYWQWQTSA-N 2 0 347.547 3.213 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccccc1 ZINC001161229134 1382349856 /nfs/dbraw/zinc/34/98/56/1382349856.db2.gz FXVOEQQUQYMFJI-LNLFQRSKSA-N 2 0 331.504 3.059 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccccc1 ZINC001161229133 1382350165 /nfs/dbraw/zinc/35/01/65/1382350165.db2.gz FXVOEQQUQYMFJI-JENIJYKNSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391060 1382396056 /nfs/dbraw/zinc/39/60/56/1382396056.db2.gz OHGDXZFQSVPGBV-ICSRJNTNSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)N(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161399589 1382399670 /nfs/dbraw/zinc/39/96/70/1382399670.db2.gz CTCQYWRRHCSYPM-FRYIKTPZSA-N 2 0 345.531 3.228 20 0 EGADRP C[C@@H]([NH3+])c1cccc(C(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001161435644 1382410124 /nfs/dbraw/zinc/41/01/24/1382410124.db2.gz WTELRAMSISIDBW-MRXNPFEDSA-N 2 0 337.467 3.101 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001161505017 1382425872 /nfs/dbraw/zinc/42/58/72/1382425872.db2.gz YGUXVUAMTIOIMH-GOSISDBHSA-N 2 0 337.552 3.149 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001161518675 1382428859 /nfs/dbraw/zinc/42/88/59/1382428859.db2.gz MFWSRLGNNJYBRO-UHFFFAOYSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+][C@@H]2CCc3ccccc32)ccc2c[nH+]cn21 ZINC001161563745 1382439917 /nfs/dbraw/zinc/43/99/17/1382439917.db2.gz GFOOPJAGECUJAX-HXUWFJFHSA-N 2 0 348.450 3.040 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CCC2=CCCCC2)CC1 ZINC001161755293 1382496121 /nfs/dbraw/zinc/49/61/21/1382496121.db2.gz VCIWKGQUCCMDFT-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001161790126 1382506347 /nfs/dbraw/zinc/50/63/47/1382506347.db2.gz LPKIIJRCKYYTOE-NRFANRHFSA-N 2 0 347.547 3.047 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)c1ccn2c[nH+]cc2c1 ZINC001161864025 1382535256 /nfs/dbraw/zinc/53/52/56/1382535256.db2.gz VAAUYYOLMRMYFT-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938425 1382560880 /nfs/dbraw/zinc/56/08/80/1382560880.db2.gz MEEHMSGFOPIDSW-GOSISDBHSA-N 2 0 335.536 3.047 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952952 1382569804 /nfs/dbraw/zinc/56/98/04/1382569804.db2.gz MEHRZUKPBHFYCK-RRFGBZISSA-N 2 0 347.547 3.356 20 0 EGADRP CC(C)(C)c1cc2ncnc(NCCC[NH2+]CCCC[NH3+])c2s1 ZINC001162290498 1382723066 /nfs/dbraw/zinc/72/30/66/1382723066.db2.gz XEWNYUYFMFYOQB-UHFFFAOYSA-N 2 0 335.521 3.119 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nnc(Cl)c2ccc(Cl)cc21 ZINC001162294744 1382723925 /nfs/dbraw/zinc/72/39/25/1382723925.db2.gz VQAICDKLAFHSIS-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP CC(C)[PH+](CCNc1nc(Cl)nc2c1C[NH2+]CC2)C(C)C ZINC001162359042 1382739579 /nfs/dbraw/zinc/73/95/79/1382739579.db2.gz XQFAAVSERLPTTM-UHFFFAOYSA-N 2 0 328.828 3.486 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC001162394859 1382746634 /nfs/dbraw/zinc/74/66/34/1382746634.db2.gz ARELLSYXMPCNMA-ZIAGYGMSSA-N 2 0 340.393 3.159 20 0 EGADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1nccc1C[NH3+] ZINC001162597779 1382804049 /nfs/dbraw/zinc/80/40/49/1382804049.db2.gz SGSJVXVVMGSSFG-UHFFFAOYSA-N 2 0 326.366 3.192 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001328693121 1388810218 /nfs/dbraw/zinc/81/02/18/1388810218.db2.gz GRFUTLNKDOGMJV-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cnc(N[C@@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)c(C[NH3+])c1 ZINC001162817571 1382884910 /nfs/dbraw/zinc/88/49/10/1382884910.db2.gz YQJGOZPGERAVMH-ILCGBQQYSA-N 2 0 342.531 3.407 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)nc1 ZINC001162844839 1382892580 /nfs/dbraw/zinc/89/25/80/1382892580.db2.gz OLUGZQHRQFANPP-APWZRJJASA-N 2 0 336.483 3.478 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](Nc2cccc(OCC[NH+]3CCCC3)n2)[C@H](C)C1 ZINC001163366274 1383033411 /nfs/dbraw/zinc/03/34/11/1383033411.db2.gz TZOUTVHRIQRZGO-MSOLQXFVSA-N 2 0 346.519 3.087 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2c(C)cccc2C)C1 ZINC001164449964 1383188129 /nfs/dbraw/zinc/18/81/29/1383188129.db2.gz VTJASNXJPYVBMU-LJQANCHMSA-N 2 0 345.531 3.021 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001164455584 1383188386 /nfs/dbraw/zinc/18/83/86/1383188386.db2.gz DKUMSFXVAQAJOR-AEFFLSMTSA-N 2 0 349.494 3.105 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001164456378 1383188713 /nfs/dbraw/zinc/18/87/13/1383188713.db2.gz QQMGQDIONIJQSH-UYAOXDASSA-N 2 0 345.531 3.274 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)C[NH2+]CC5)[C@H]3C2)cc1 ZINC001164486436 1383192043 /nfs/dbraw/zinc/19/20/43/1383192043.db2.gz NZQZRPBVIMHRFG-UFYCRDLUSA-N 2 0 348.494 3.050 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001164509195 1383194814 /nfs/dbraw/zinc/19/48/14/1383194814.db2.gz WOSLTXPEUGNCEG-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164540876 1383197690 /nfs/dbraw/zinc/19/76/90/1383197690.db2.gz QSVHRCOSAZFPBW-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001164574197 1383200631 /nfs/dbraw/zinc/20/06/31/1383200631.db2.gz AZAASTHDPWUTHY-PXNSSMCTSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001164583085 1383201928 /nfs/dbraw/zinc/20/19/28/1383201928.db2.gz SOAQYWKMQGBURJ-ZWKOTPCHSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001164582685 1383202182 /nfs/dbraw/zinc/20/21/82/1383202182.db2.gz MVYJRRIZMDMRMH-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(C[NH+](C)C)ccn1 ZINC001165202977 1383249151 /nfs/dbraw/zinc/24/91/51/1383249151.db2.gz QSYSKOPPHRTTSH-ZWKOTPCHSA-N 2 0 338.499 3.242 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2cccnc2O[C@H]2CC[NH2+]C2)cc1 ZINC001165213130 1383249756 /nfs/dbraw/zinc/24/97/56/1383249756.db2.gz LRJXHMWYDJJTIZ-SFHVURJKSA-N 2 0 340.471 3.408 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165334097 1383276228 /nfs/dbraw/zinc/27/62/28/1383276228.db2.gz VAXJVTFCVUDJTI-OOFWQKGWSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001165359530 1383281833 /nfs/dbraw/zinc/28/18/33/1383281833.db2.gz DEBJDVKWYGZFSC-KRWDZBQOSA-N 2 0 347.547 3.483 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165465249 1383299058 /nfs/dbraw/zinc/29/90/58/1383299058.db2.gz ZKUZUQDQNSPVBO-VOTSOKGWSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1)[NH+](C)C ZINC001165628516 1383317192 /nfs/dbraw/zinc/31/71/92/1383317192.db2.gz UYOQYIRNPGUTPG-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001165728957 1383334062 /nfs/dbraw/zinc/33/40/62/1383334062.db2.gz WQLTWNITTDKZTL-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165735551 1383335119 /nfs/dbraw/zinc/33/51/19/1383335119.db2.gz CPAQADDGAVMQKS-ROUUACIJSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001165781018 1383344744 /nfs/dbraw/zinc/34/47/44/1383344744.db2.gz CLCSOJVDKLHMER-MRXNPFEDSA-N 2 0 333.520 3.093 20 0 EGADRP CCc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001328766144 1388851528 /nfs/dbraw/zinc/85/15/28/1388851528.db2.gz UAEPKZGHDTVQPS-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189907 1383400204 /nfs/dbraw/zinc/40/02/04/1383400204.db2.gz SKYDCTBJXHMQLT-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166389723 1383417885 /nfs/dbraw/zinc/41/78/85/1383417885.db2.gz FXHUSNDYHVFHFY-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[N@H+](CCC(=O)NCCC1(C[NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001166389174 1383417952 /nfs/dbraw/zinc/41/79/52/1383417952.db2.gz BXXWWVGYGBAFGM-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1)[NH+](CC)CC ZINC001166425789 1383421011 /nfs/dbraw/zinc/42/10/11/1383421011.db2.gz VVDITBCTZJPCGW-LJQANCHMSA-N 2 0 333.520 3.020 20 0 EGADRP CCc1ccccc1CC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166439619 1383422772 /nfs/dbraw/zinc/42/27/72/1383422772.db2.gz ISXGXGUBXMCAOV-FQEVSTJZSA-N 2 0 347.547 3.008 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)[NH+](CC)CC ZINC001166448197 1383423666 /nfs/dbraw/zinc/42/36/66/1383423666.db2.gz RQZDGAZNCDTZKP-WOJBJXKFSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1)[NH+](CC)CC ZINC001166454841 1383424031 /nfs/dbraw/zinc/42/40/31/1383424031.db2.gz OJASIHPUYSJZAC-CRAIPNDOSA-N 2 0 337.483 3.103 20 0 EGADRP [NH3+]C1CCN(c2cccc(N3CCCC[C@H]3c3cccnc3)[nH+]2)CC1 ZINC001166577527 1383440518 /nfs/dbraw/zinc/44/05/18/1383440518.db2.gz WTRPARXJJDMHKU-SFHVURJKSA-N 2 0 337.471 3.136 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179926 1383559533 /nfs/dbraw/zinc/55/95/33/1383559533.db2.gz VWXLKVONAHXSDS-BBVFFXRHSA-N 2 0 337.552 3.339 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385659 1383619042 /nfs/dbraw/zinc/61/90/42/1383619042.db2.gz MXCUMZLXBBRZBM-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC1(C[NH2+]CC=C(C)C)CC1)C(C)C ZINC001167466512 1383641209 /nfs/dbraw/zinc/64/12/09/1383641209.db2.gz QQAPDRCPSFCPEN-GOSISDBHSA-N 2 0 337.552 3.195 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC001300214382 1383653207 /nfs/dbraw/zinc/65/32/07/1383653207.db2.gz QPDOPSMSABHALE-INIZCTEOSA-N 2 0 338.455 3.306 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167609575 1383689092 /nfs/dbraw/zinc/68/90/92/1383689092.db2.gz NKGHEILSNVANQI-RBUKOAKNSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)[NH+]1CCCCCC1 ZINC001167609326 1383689103 /nfs/dbraw/zinc/68/91/03/1383689103.db2.gz NEWSAKIBNDOSML-RKWFYDHTSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001167619395 1383690406 /nfs/dbraw/zinc/69/04/06/1383690406.db2.gz BKTUKZKUUDXADP-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001167628365 1383693174 /nfs/dbraw/zinc/69/31/74/1383693174.db2.gz ZTGAUVPYXZJCSP-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001167636622 1383695236 /nfs/dbraw/zinc/69/52/36/1383695236.db2.gz WFXXBCKGUJUHDI-UXHICEINSA-N 2 0 345.531 3.497 20 0 EGADRP [NH3+]Cc1nn(-c2ccc(SC3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001167701276 1383716153 /nfs/dbraw/zinc/71/61/53/1383716153.db2.gz OTHMIMAWCAIDOM-UHFFFAOYSA-N 2 0 338.480 3.328 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001167814663 1383747532 /nfs/dbraw/zinc/74/75/32/1383747532.db2.gz AUVADTOARGIZDN-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC2(CCN2Cc2ccccc2)C1 ZINC001167825447 1383750127 /nfs/dbraw/zinc/75/01/27/1383750127.db2.gz JDOPKCURQPQDFA-LJQANCHMSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1cc[nH+]cc1C)C1CC[NH2+]CC1 ZINC001167833952 1383753091 /nfs/dbraw/zinc/75/30/91/1383753091.db2.gz GLZKIIDUNWOYLQ-SFHVURJKSA-N 3 0 332.536 3.459 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2nccnc2C)C1 ZINC001167833916 1383753096 /nfs/dbraw/zinc/75/30/96/1383753096.db2.gz FWAPGLVZNQOYAO-FUHWJXTLSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC001167840755 1383755580 /nfs/dbraw/zinc/75/55/80/1383755580.db2.gz IIDNDAPDXQCKLB-MRXNPFEDSA-N 2 0 332.488 3.342 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)n1c2ccccc2nc1N1CC[NH2+]CC1 ZINC001167841915 1383756595 /nfs/dbraw/zinc/75/65/95/1383756595.db2.gz UJVRDWWKTMCOGC-QGZVFWFLSA-N 2 0 343.519 3.129 20 0 EGADRP CC(C)c1cc(Br)cc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167883618 1383765255 /nfs/dbraw/zinc/76/52/55/1383765255.db2.gz KCSAMZSFDMXCND-UHFFFAOYSA-N 2 0 327.270 3.248 20 0 EGADRP C(OC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935721 1383771978 /nfs/dbraw/zinc/77/19/78/1383771978.db2.gz LJQBSRGSPQRUOU-LILSUDLASA-N 2 0 344.543 3.245 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167959444 1383779082 /nfs/dbraw/zinc/77/90/82/1383779082.db2.gz PTKKNVFFALBGQM-XCSKNGGISA-N 2 0 339.527 3.256 20 0 EGADRP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1OC ZINC001167962051 1383780030 /nfs/dbraw/zinc/78/00/30/1383780030.db2.gz SZZZWBYOHJUACK-YQQQUEKLSA-N 2 0 344.499 3.241 20 0 EGADRP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167964614 1383780898 /nfs/dbraw/zinc/78/08/98/1383780898.db2.gz UYHSJTQPSRPJOV-VTHDOGFWSA-N 2 0 327.516 3.284 20 0 EGADRP c1cnn(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167967028 1383781677 /nfs/dbraw/zinc/78/16/77/1383781677.db2.gz AFVWCLVTDKFCTQ-IHWFROFDSA-N 2 0 336.483 3.367 20 0 EGADRP C[C@H]1CC([NH2+][C@H]2CN3CCC2CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008621 1383795682 /nfs/dbraw/zinc/79/56/82/1383795682.db2.gz FPVLWPCNMWSHBG-FIKGOQFSSA-N 2 0 327.516 3.112 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009772 1383795845 /nfs/dbraw/zinc/79/58/45/1383795845.db2.gz IBRWFXNIONSBMX-YHELAOLJSA-N 2 0 329.532 3.359 20 0 EGADRP CC(=O)N1CCC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168008726 1383795979 /nfs/dbraw/zinc/79/59/79/1383795979.db2.gz FXBPFPBJOAOOPA-HRQSHJORSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019374 1383798532 /nfs/dbraw/zinc/79/85/32/1383798532.db2.gz IKKBJQNYJAQYGH-GNBUJSLZSA-N 2 0 338.499 3.439 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168031331 1383800408 /nfs/dbraw/zinc/80/04/08/1383800408.db2.gz ZBEMCQSCUPTORA-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039260 1383802343 /nfs/dbraw/zinc/80/23/43/1383802343.db2.gz CORSHCHCLZEEPI-BBPUYGCGSA-N 2 0 329.532 3.358 20 0 EGADRP C[C@@H]1CC(N2CCC[C@@H]3C[N@H+](C)C[C@@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065700 1383808341 /nfs/dbraw/zinc/80/83/41/1383808341.db2.gz XSWMHSXDDZQZHE-DBQGFPOUSA-N 2 0 341.543 3.454 20 0 EGADRP Cc1nc2c(n1C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C[NH2+]CC2 ZINC001168065306 1383808631 /nfs/dbraw/zinc/80/86/31/1383808631.db2.gz VOUXBFWIOKSHQK-HOTGVXAUSA-N 2 0 338.499 3.451 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CC3CCC(C)(C)CC3)CC2)C1 ZINC001168137292 1383824848 /nfs/dbraw/zinc/82/48/48/1383824848.db2.gz MPHGAXKHSYPNNS-SFHVURJKSA-N 2 0 349.563 3.031 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168290345 1383864271 /nfs/dbraw/zinc/86/42/71/1383864271.db2.gz DLMKAWLUTVRYQI-HDICACEKSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Br)c(Cl)n2)CC1 ZINC001168300515 1383867615 /nfs/dbraw/zinc/86/76/15/1383867615.db2.gz YXRPXGKTICVDFN-UHFFFAOYSA-N 2 0 346.700 3.460 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168320516 1383872217 /nfs/dbraw/zinc/87/22/17/1383872217.db2.gz AHHBDOFZRVWZAV-QGZVFWFLSA-N 2 0 345.531 3.284 20 0 EGADRP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001168326596 1383873099 /nfs/dbraw/zinc/87/30/99/1383873099.db2.gz CBNBYMZQKVOXCZ-RYTJFDOTSA-N 2 0 339.524 3.189 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001168327330 1383874020 /nfs/dbraw/zinc/87/40/20/1383874020.db2.gz JRNCLXCQLHXUIN-UHFFFAOYSA-N 3 0 341.543 3.457 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168335629 1383875967 /nfs/dbraw/zinc/87/59/67/1383875967.db2.gz NFEOPEJCXPVEQR-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001168345281 1383879028 /nfs/dbraw/zinc/87/90/28/1383879028.db2.gz NKWYWBHUKLWYIY-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP COC(=O)CCC[N@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168373406 1383888055 /nfs/dbraw/zinc/88/80/55/1383888055.db2.gz RAHSYXYGVCTELU-UHFFFAOYSA-N 2 0 344.499 3.316 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001168456316 1383911008 /nfs/dbraw/zinc/91/10/08/1383911008.db2.gz PCENHRBPWJQXDS-KRWDZBQOSA-N 2 0 341.474 3.298 20 0 EGADRP CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001306909390 1383918976 /nfs/dbraw/zinc/91/89/76/1383918976.db2.gz KETJNIQELYPPAO-YLJYHZDGSA-N 2 0 345.531 3.346 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]C3CCC([NH+](C)C)CC3)CCO2)cc1 ZINC001168600989 1383945914 /nfs/dbraw/zinc/94/59/14/1383945914.db2.gz NHYCSIYXGJOKOW-MKQGEQSTSA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[C@@H]([NH+](C)C)CC3)CCO2)cc1 ZINC001168624262 1383951153 /nfs/dbraw/zinc/95/11/53/1383951153.db2.gz NHYCSIYXGJOKOW-PNYFIKQUSA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([N@@H+]3CCC4(C3)CC[NH+](C)CC4)CCO2)cc1 ZINC001168666899 1383964586 /nfs/dbraw/zinc/96/45/86/1383964586.db2.gz YMLUWPYBKXLZIC-QUCCMNQESA-N 2 0 344.499 3.333 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743366 1383988562 /nfs/dbraw/zinc/98/85/62/1383988562.db2.gz KMGRVMJJINMKDP-MRXNPFEDSA-N 2 0 327.859 3.333 20 0 EGADRP COC(=O)C1(C)CCC([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001168762820 1383994566 /nfs/dbraw/zinc/99/45/66/1383994566.db2.gz XANPYLDZCCNMNF-PPDQVPDSSA-N 2 0 332.488 3.205 20 0 EGADRP COC(=O)C1(C)CCC([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001168770316 1383998511 /nfs/dbraw/zinc/99/85/11/1383998511.db2.gz FRLJBWIUDTWDJV-UHFFFAOYSA-N 2 0 330.472 3.058 20 0 EGADRP COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091730 1384104940 /nfs/dbraw/zinc/10/49/40/1384104940.db2.gz USUMMJDDLPIJPJ-LLLHUVSDSA-N 2 0 327.472 3.337 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(F)cc3F)CC1)C2 ZINC001169109037 1384108081 /nfs/dbraw/zinc/10/80/81/1384108081.db2.gz GUKVQHOMOSYOSB-REPLKXPHSA-N 2 0 349.469 3.144 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001169109421 1384108357 /nfs/dbraw/zinc/10/83/57/1384108357.db2.gz IFVQSXZNTFSAGD-CAOSSQGBSA-N 2 0 327.447 3.394 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169110598 1384108519 /nfs/dbraw/zinc/10/85/19/1384108519.db2.gz NQNNACHNWOCRND-MZADTFQBSA-N 3 0 333.564 3.494 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001169116980 1384109059 /nfs/dbraw/zinc/10/90/59/1384109059.db2.gz VJSMUVMHCGZENI-OWZKRDHZSA-N 2 0 346.490 3.380 20 0 EGADRP CN([C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155131 1384116094 /nfs/dbraw/zinc/11/60/94/1384116094.db2.gz YIIKUPJAXMWIBL-WOZUAGRISA-N 2 0 327.516 3.208 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC001308383915 1384123099 /nfs/dbraw/zinc/12/30/99/1384123099.db2.gz APPGKYSTYQOPDI-ICSRJNTNSA-N 2 0 329.532 3.219 20 0 EGADRP CC[NH+]1CCC(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001169251742 1384127670 /nfs/dbraw/zinc/12/76/70/1384127670.db2.gz YWOVYJLIXPHKBJ-CTNGQTDRSA-N 2 0 327.516 3.067 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169269459 1384130351 /nfs/dbraw/zinc/13/03/51/1384130351.db2.gz WRKCXAYUFLKMGA-UHFFFAOYSA-N 2 0 332.488 3.476 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169272239 1384130703 /nfs/dbraw/zinc/13/07/03/1384130703.db2.gz LWZCLPFEOPWXDY-UHFFFAOYSA-N 2 0 344.499 3.476 20 0 EGADRP CCC(CC)[NH+]1CCC(C[NH2+][C@H](C)CC(=O)N(CC)CC)CC1 ZINC001169446544 1384149032 /nfs/dbraw/zinc/14/90/32/1384149032.db2.gz IWYUQFIBBBVBFR-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169568587 1384160533 /nfs/dbraw/zinc/16/05/33/1384160533.db2.gz CVVNWTJDTICDRI-CYBMUJFWSA-N 2 0 326.282 3.065 20 0 EGADRP C[NH+](C)CCC(C)(C)Nc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001169717475 1384177707 /nfs/dbraw/zinc/17/77/07/1384177707.db2.gz ILQZXSXDSBFCMV-KRWDZBQOSA-N 2 0 343.519 3.493 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001169798928 1384187393 /nfs/dbraw/zinc/18/73/93/1384187393.db2.gz SYCKYMGYACBRRH-QUCCMNQESA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982111 1384210127 /nfs/dbraw/zinc/21/01/27/1384210127.db2.gz JJBINWINICXQQY-INIZCTEOSA-N 2 0 333.520 3.494 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001170211122 1384265800 /nfs/dbraw/zinc/26/58/00/1384265800.db2.gz KJKZZIHJWFXKDH-KRWDZBQOSA-N 2 0 333.520 3.309 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001170211945 1384265953 /nfs/dbraw/zinc/26/59/53/1384265953.db2.gz SNSBJBCURNQFNO-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001170432146 1384317749 /nfs/dbraw/zinc/31/77/49/1384317749.db2.gz QMRMQIKNKHKLOG-JQHSSLGASA-N 2 0 332.488 3.445 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2cc(O[C@H]3CCOC3)cc[nH+]2)CC1(C)C ZINC001170453383 1384323029 /nfs/dbraw/zinc/32/30/29/1384323029.db2.gz KBNMPDMWJAWBHA-INIZCTEOSA-N 2 0 333.476 3.313 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170462592 1384325525 /nfs/dbraw/zinc/32/55/25/1384325525.db2.gz DQVVEORSFGUABR-PHZGNYQRSA-N 2 0 327.513 3.272 20 0 EGADRP CC[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170476096 1384326604 /nfs/dbraw/zinc/32/66/04/1384326604.db2.gz CLRMOMALLYNAIV-WCXIOVBPSA-N 2 0 339.524 3.413 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001170540862 1384337505 /nfs/dbraw/zinc/33/75/05/1384337505.db2.gz UXXRYHIEJWEQPS-LMCOJAPRSA-N 2 0 344.499 3.076 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001170756732 1384380306 /nfs/dbraw/zinc/38/03/06/1384380306.db2.gz PETSBJRYMJKEMZ-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769956 1384382802 /nfs/dbraw/zinc/38/28/02/1384382802.db2.gz QUBFOYFSJVMNOJ-SLWQEBJJSA-N 2 0 343.943 3.268 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170817109 1384390599 /nfs/dbraw/zinc/39/05/99/1384390599.db2.gz KVJBFKKPLIZNBQ-YLJYHZDGSA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820082 1384391358 /nfs/dbraw/zinc/39/13/58/1384391358.db2.gz WOTZOYUMFAKLQA-PKOBYXMFSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820121 1384391401 /nfs/dbraw/zinc/39/14/01/1384391401.db2.gz WYPJDIHMXAFQRM-YZKSSJSGSA-N 2 0 349.563 3.339 20 0 EGADRP CC/C=C\CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170868165 1384401645 /nfs/dbraw/zinc/40/16/45/1384401645.db2.gz PWIXMZVPCZXYNM-LIXSYLKWSA-N 2 0 331.504 3.132 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CCc4ccc(Br)cc4C3)C[C@H]2C1 ZINC001170888089 1384405860 /nfs/dbraw/zinc/40/58/60/1384405860.db2.gz BOQXWYBFIKOOFG-NUJGCVRESA-N 2 0 349.316 3.190 20 0 EGADRP COc1ccc2cc(Br)ccc2c1N[C@H]([NH3+])CCC[NH3+] ZINC001170900801 1384407969 /nfs/dbraw/zinc/40/79/69/1384407969.db2.gz QANRKIBNDFUXDS-AWEZNQCLSA-N 2 0 338.249 3.047 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170917302 1384410912 /nfs/dbraw/zinc/41/09/12/1384410912.db2.gz QDEXUDWEGKBCLA-GOSISDBHSA-N 2 0 349.950 3.157 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171247742 1384477755 /nfs/dbraw/zinc/47/77/55/1384477755.db2.gz NUYAEOJERRGCII-XLIONFOSSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248912 1384478026 /nfs/dbraw/zinc/47/80/26/1384478026.db2.gz YKKPTSIDXOSCMF-YLJYHZDGSA-N 2 0 349.563 3.482 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171248943 1384478831 /nfs/dbraw/zinc/47/88/31/1384478831.db2.gz ZFQPEWPFPJJBJA-MSOLQXFVSA-N 2 0 325.541 3.314 20 0 EGADRP C[NH+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171580233 1384570965 /nfs/dbraw/zinc/57/09/65/1384570965.db2.gz UBNNJRQYSIMBNK-JKSUJKDBSA-N 2 0 341.540 3.342 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001171586370 1384572612 /nfs/dbraw/zinc/57/26/12/1384572612.db2.gz NDTCGWAHCHWWCJ-MRXNPFEDSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171621491 1384582963 /nfs/dbraw/zinc/58/29/63/1384582963.db2.gz LQAHZKXTKUKGCO-ZDUSSCGKSA-N 2 0 327.513 3.141 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@@H](CO)Cc2ccc(Cl)cc2)CC1(C)C ZINC001171621566 1384583371 /nfs/dbraw/zinc/58/33/71/1384583371.db2.gz MYUNZIMIAYQVFF-MRXNPFEDSA-N 2 0 338.923 3.484 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2(Cc3ccncc3)CCOCC2)CC1(C)C ZINC001171626908 1384584477 /nfs/dbraw/zinc/58/44/77/1384584477.db2.gz GRZXLPSLABKKIS-UHFFFAOYSA-N 2 0 345.531 3.414 20 0 EGADRP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1Cc2cccc(F)c2C1 ZINC001171797717 1384641002 /nfs/dbraw/zinc/64/10/02/1384641002.db2.gz BFSQUYJPVHTDHK-IAGOWNOFSA-N 2 0 346.490 3.305 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812250 1384646284 /nfs/dbraw/zinc/64/62/84/1384646284.db2.gz NLGBCHRKCUSCLW-HNNXBMFYSA-N 2 0 328.460 3.013 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171867477 1384665881 /nfs/dbraw/zinc/66/58/81/1384665881.db2.gz ZEVOIKZLAQHTLE-LJQANCHMSA-N 2 0 343.515 3.144 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171870789 1384666598 /nfs/dbraw/zinc/66/65/98/1384666598.db2.gz UWZOLNIAPVTVTC-ICSRJNTNSA-N 2 0 343.515 3.003 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171923843 1384683939 /nfs/dbraw/zinc/68/39/39/1384683939.db2.gz JFVDJUIFZMVJPF-QGZVFWFLSA-N 2 0 345.531 3.079 20 0 EGADRP CCOC(=O)C1(C)CCC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001171945856 1384691734 /nfs/dbraw/zinc/69/17/34/1384691734.db2.gz CDFFLGSVAMZFRS-USZBZKHASA-N 2 0 336.520 3.480 20 0 EGADRP CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171974724 1384701101 /nfs/dbraw/zinc/70/11/01/1384701101.db2.gz AKNYMGROYHYGJO-WOJBJXKFSA-N 2 0 339.483 3.148 20 0 EGADRP C[NH+](C)C[C@@H]1CCCN1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988233 1384705813 /nfs/dbraw/zinc/70/58/13/1384705813.db2.gz PMUOKKNBKARVCU-PMACEKPBSA-N 2 0 329.532 3.456 20 0 EGADRP CN1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061589 1384714724 /nfs/dbraw/zinc/71/47/24/1384714724.db2.gz HQBBWLOAWFJWQN-BURNTYAHSA-N 2 0 327.516 3.256 20 0 EGADRP CC(C)[C@](C)([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172066283 1384717200 /nfs/dbraw/zinc/71/72/00/1384717200.db2.gz UUSJJUWYYGJIJG-HUUJSLGLSA-N 2 0 343.515 3.062 20 0 EGADRP C[NH+](C)C1(C)CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172076315 1384719515 /nfs/dbraw/zinc/71/95/15/1384719515.db2.gz XTOSSVVEZWTHSR-ACDBMABISA-N 2 0 327.516 3.208 20 0 EGADRP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076752 1384720545 /nfs/dbraw/zinc/72/05/45/1384720545.db2.gz HNNLPYLSZZWCCD-AERCQKQUSA-N 2 0 327.516 3.210 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001316948758 1384721631 /nfs/dbraw/zinc/72/16/31/1384721631.db2.gz VPDXLVACMKQBRL-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CCC1OCCO1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083180 1384722171 /nfs/dbraw/zinc/72/21/71/1384722171.db2.gz OBLHHRUQYUCFAD-PMOLBWCYSA-N 2 0 344.499 3.267 20 0 EGADRP Cc1ncc(Br)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117113 1384733494 /nfs/dbraw/zinc/73/34/94/1384733494.db2.gz KIYAEIAYUDYUSL-PHZGNYQRSA-N 2 0 338.293 3.257 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC1)OC(=O)c1ccccc13)C2 ZINC001172123619 1384734372 /nfs/dbraw/zinc/73/43/72/1384734372.db2.gz HEJVAHLSCHLTNW-FVQHAEBGSA-N 2 0 340.467 3.163 20 0 EGADRP Cc1cccc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172132815 1384737176 /nfs/dbraw/zinc/73/71/76/1384737176.db2.gz OLUAQFSAMGAVPU-FCGDIQPGSA-N 2 0 329.488 3.249 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172237433 1384753722 /nfs/dbraw/zinc/75/37/22/1384753722.db2.gz LTHKMUPCPKWDIW-AQDPXUSMSA-N 2 0 342.483 3.442 20 0 EGADRP COCCC[NH+]1CCC(n2c3ccccc3c3c2CC[C@H]([NH3+])C3)CC1 ZINC001172246301 1384755121 /nfs/dbraw/zinc/75/51/21/1384755121.db2.gz JLOIWZULSASMQU-INIZCTEOSA-N 2 0 341.499 3.131 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172285947 1384760163 /nfs/dbraw/zinc/76/01/63/1384760163.db2.gz WFDQVHFXQVIGDY-LJQANCHMSA-N 2 0 343.515 3.326 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001172319176 1384768705 /nfs/dbraw/zinc/76/87/05/1384768705.db2.gz OYPKQFAQELPTHV-RTBURBONSA-N 2 0 347.547 3.117 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001172319879 1384769196 /nfs/dbraw/zinc/76/91/96/1384769196.db2.gz UKCLEJXIGFGXDY-ROUUACIJSA-N 2 0 333.520 3.122 20 0 EGADRP CC(C)COCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172467566 1384798945 /nfs/dbraw/zinc/79/89/45/1384798945.db2.gz LORYQJIZJJWUGK-SFHVURJKSA-N 2 0 333.520 3.334 20 0 EGADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)O1 ZINC001172541176 1384809795 /nfs/dbraw/zinc/80/97/95/1384809795.db2.gz UXPNISWNGDRRAC-IVDHNXQLSA-N 2 0 332.488 3.027 20 0 EGADRP CC(C)[NH+]1CCN(CC[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172543790 1384809988 /nfs/dbraw/zinc/80/99/88/1384809988.db2.gz UAEUTDWAJQRJOX-RTWAWAEBSA-N 2 0 329.532 3.328 20 0 EGADRP C[C@H](CCc1c(F)cc(Cl)cc1F)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001172579099 1384815057 /nfs/dbraw/zinc/81/50/57/1384815057.db2.gz VWWABIVMKDGWAV-UPJWGTAASA-N 2 0 328.834 3.433 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001172601996 1384817338 /nfs/dbraw/zinc/81/73/38/1384817338.db2.gz MKVHESABUOPXEB-HKUYNNGSSA-N 2 0 336.520 3.353 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172626343 1384822590 /nfs/dbraw/zinc/82/25/90/1384822590.db2.gz DLTPZAVORCWREJ-ZCNNSNEGSA-N 2 0 344.499 3.172 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172753160 1384843713 /nfs/dbraw/zinc/84/37/13/1384843713.db2.gz RZQOKNKYMOVLEJ-BHIYHBOVSA-N 2 0 347.503 3.274 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001172779755 1384850612 /nfs/dbraw/zinc/85/06/12/1384850612.db2.gz HBHXQTHCBMMUOK-SJLPKXTDSA-N 2 0 330.472 3.058 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001317089775 1384851333 /nfs/dbraw/zinc/85/13/33/1384851333.db2.gz ZDPWNNJFWRFDJW-VAMGGRTRSA-N 2 0 345.531 3.161 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172817652 1384858018 /nfs/dbraw/zinc/85/80/18/1384858018.db2.gz ZHBJBGSGQISVGY-UHFFFAOYSA-N 2 0 329.532 3.015 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(Cc3ccccn3)CC1)CC2 ZINC001172829490 1384860112 /nfs/dbraw/zinc/86/01/12/1384860112.db2.gz XHIISYLUNPQGQB-NRFANRHFSA-N 2 0 335.495 3.283 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001172943979 1384885684 /nfs/dbraw/zinc/88/56/84/1384885684.db2.gz NIRWBVJKNKAKRI-QGZVFWFLSA-N 2 0 341.540 3.344 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173055165 1384902499 /nfs/dbraw/zinc/90/24/99/1384902499.db2.gz RKUGXTVUOYSJPD-IAGOWNOFSA-N 2 0 341.540 3.486 20 0 EGADRP C[C@@H]1CC[C@H]([NH+]2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173072505 1384907330 /nfs/dbraw/zinc/90/73/30/1384907330.db2.gz WISUGMWIRIKPFS-WBVHZDCISA-N 2 0 339.524 3.048 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001317145072 1384913508 /nfs/dbraw/zinc/91/35/08/1384913508.db2.gz WVDWIWAUKNUXBZ-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CC(=O)OC)c2cccc(O)c2)CC1 ZINC001173107755 1384916014 /nfs/dbraw/zinc/91/60/14/1384916014.db2.gz LHJCPEYNXXFDLD-TVPLGVNVSA-N 2 0 348.487 3.239 20 0 EGADRP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173108431 1384916277 /nfs/dbraw/zinc/91/62/77/1384916277.db2.gz KKLMQAMYZQBFCG-LMDPOFIKSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3ccc(O)cc3)CC2)CC1 ZINC001173108429 1384916429 /nfs/dbraw/zinc/91/64/29/1384916429.db2.gz KFOYNYVHFQXMHM-UHFFFAOYSA-N 2 0 331.504 3.167 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001173111117 1384916906 /nfs/dbraw/zinc/91/69/06/1384916906.db2.gz SALXEGCVWWBORW-YNIZLOQISA-N 2 0 349.563 3.218 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cnc(SC)nc3C2)CC1 ZINC001173113082 1384917976 /nfs/dbraw/zinc/91/79/76/1384917976.db2.gz IBFYEVJBIFRHMD-UHFFFAOYSA-N 2 0 334.533 3.210 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)CO2 ZINC001173153865 1384925114 /nfs/dbraw/zinc/92/51/14/1384925114.db2.gz RCMIHZAYTURCSR-AUSJPIAWSA-N 2 0 332.488 3.132 20 0 EGADRP CC[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)C1 ZINC001173355796 1384963559 /nfs/dbraw/zinc/96/35/59/1384963559.db2.gz WWENAEDWJVLTSK-CYBMUJFWSA-N 2 0 341.377 3.308 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001173443875 1384972227 /nfs/dbraw/zinc/97/22/27/1384972227.db2.gz DEMOOLCRTLKLHQ-KRWDZBQOSA-N 2 0 347.503 3.005 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]CCc2ccc(C[NH+](C)C)cc2)C1 ZINC001173629667 1384991442 /nfs/dbraw/zinc/99/14/42/1384991442.db2.gz CGZKIXFTKJXTPT-OALUTQOASA-N 2 0 332.488 3.002 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)C1 ZINC001173648353 1384995396 /nfs/dbraw/zinc/99/53/96/1384995396.db2.gz JIZWXDSSXUZCPD-VQIMIIECSA-N 2 0 336.520 3.162 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001173649828 1384996013 /nfs/dbraw/zinc/99/60/13/1384996013.db2.gz IDBIFWIVZXOTSV-PKOBYXMFSA-N 2 0 336.520 3.353 20 0 EGADRP C[C@@H]1CC([NH2+]CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173674786 1385001406 /nfs/dbraw/zinc/00/14/06/1385001406.db2.gz FECAMBHRLUNVHB-INMHGKMJSA-N 2 0 339.524 3.237 20 0 EGADRP C[C@@H]1CC([NH2+]Cc2ccccc2C[NH3+])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173678189 1385002874 /nfs/dbraw/zinc/00/28/74/1385002874.db2.gz JSARRAAFEMTERB-HUUCEWRRSA-N 2 0 347.503 3.411 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650630 1385130280 /nfs/dbraw/zinc/13/02/80/1385130280.db2.gz RYWGUINUNXBGFP-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP COc1cc(Nc2cc[nH+]c(C)c2)ccc1OCC[NH+]1CCCC1 ZINC001174659753 1385131478 /nfs/dbraw/zinc/13/14/78/1385131478.db2.gz BHQOXGVRLTTYDV-UHFFFAOYSA-N 2 0 327.428 3.039 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174882331 1385164456 /nfs/dbraw/zinc/16/44/56/1385164456.db2.gz QJWOGSBVSJAOTN-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265135 1385234273 /nfs/dbraw/zinc/23/42/73/1385234273.db2.gz XKZOVRUFOOTKBM-QGZVFWFLSA-N 2 0 333.520 3.079 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273245 1385236899 /nfs/dbraw/zinc/23/68/99/1385236899.db2.gz QEBZNDBPJWLIPP-GOSISDBHSA-N 2 0 345.531 3.183 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273483 1385237776 /nfs/dbraw/zinc/23/77/76/1385237776.db2.gz SGSDZFNWSJUJNS-DKFQHHCZSA-N 2 0 337.552 3.339 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273801 1385237904 /nfs/dbraw/zinc/23/79/04/1385237904.db2.gz WOPRCKZYXVTMEJ-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001175317551 1385251018 /nfs/dbraw/zinc/25/10/18/1385251018.db2.gz PGSWTZFCVMKONX-ICSRJNTNSA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581257 1385338613 /nfs/dbraw/zinc/33/86/13/1385338613.db2.gz JTONACKKJJRBQW-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581608 1385338774 /nfs/dbraw/zinc/33/87/74/1385338774.db2.gz OYYLHUHZOVTYGL-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001175786772 1385405682 /nfs/dbraw/zinc/40/56/82/1385405682.db2.gz PLAYZBOSHUONSF-PXNSSMCTSA-N 2 0 345.531 3.280 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175968265 1385448289 /nfs/dbraw/zinc/44/82/89/1385448289.db2.gz XXYRIVFCVOIOFU-GOSISDBHSA-N 2 0 337.552 3.338 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001317769754 1385460328 /nfs/dbraw/zinc/46/03/28/1385460328.db2.gz JYECLTRUGNFISX-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001317771322 1385463154 /nfs/dbraw/zinc/46/31/54/1385463154.db2.gz YQPJOPHLXHTBBN-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176024519 1385464048 /nfs/dbraw/zinc/46/40/48/1385464048.db2.gz PEVATYLTQSLVDC-MSOLQXFVSA-N 2 0 327.557 3.275 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)CCCC[NH2+]CCF ZINC001176120349 1385489604 /nfs/dbraw/zinc/48/96/04/1385489604.db2.gz OCZFHRMJKZVARF-KRWDZBQOSA-N 2 0 331.520 3.123 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185213 1385505536 /nfs/dbraw/zinc/50/55/36/1385505536.db2.gz UHOLHQSSSDRXEG-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001176230419 1385520775 /nfs/dbraw/zinc/52/07/75/1385520775.db2.gz IJIRZTYSDXLNLM-GOSISDBHSA-N 2 0 333.520 3.183 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001176269760 1385533164 /nfs/dbraw/zinc/53/31/64/1385533164.db2.gz XVEVLOISTMSWQZ-QGZVFWFLSA-N 2 0 331.520 3.123 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176279642 1385537138 /nfs/dbraw/zinc/53/71/38/1385537138.db2.gz OQTYDHVQJUMHSJ-LMICACPXSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176284737 1385538654 /nfs/dbraw/zinc/53/86/54/1385538654.db2.gz JROBPGOOPOJXMU-HZPDHXFCSA-N 2 0 347.494 3.028 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176283972 1385538725 /nfs/dbraw/zinc/53/87/25/1385538725.db2.gz CBXRBOUMZUDIOR-MSOLQXFVSA-N 2 0 327.557 3.275 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001176285738 1385539164 /nfs/dbraw/zinc/53/91/64/1385539164.db2.gz QIEGTSKIVICZEW-BLGFXRMMSA-N 2 0 325.541 3.339 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001176318914 1385550087 /nfs/dbraw/zinc/55/00/87/1385550087.db2.gz PZTLVJNFPZEHPM-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001317876539 1385556045 /nfs/dbraw/zinc/55/60/45/1385556045.db2.gz IDDGVIDYZGRZDM-IEBWSBKVSA-N 2 0 339.568 3.179 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001176358831 1385562739 /nfs/dbraw/zinc/56/27/39/1385562739.db2.gz NELYECWGZWXGKA-BBCKOWNQSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566148 1385627237 /nfs/dbraw/zinc/62/72/37/1385627237.db2.gz YWVKOIUXRNQUBQ-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)C[NH+]1CCCC1 ZINC001176573978 1385629312 /nfs/dbraw/zinc/62/93/12/1385629312.db2.gz POKYUCWWGZPQTJ-KRWDZBQOSA-N 2 0 349.494 3.017 20 0 EGADRP CC[C@H]([NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001176591125 1385634379 /nfs/dbraw/zinc/63/43/79/1385634379.db2.gz HSGIWSGIASALBS-QUCCMNQESA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176754452 1385684646 /nfs/dbraw/zinc/68/46/46/1385684646.db2.gz VZZXCRKKCMLLTJ-HOTGVXAUSA-N 2 0 347.494 3.027 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001176884524 1385730810 /nfs/dbraw/zinc/73/08/10/1385730810.db2.gz LPOWYOJDQAYKSR-RBUKOAKNSA-N 2 0 337.552 3.175 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001176991413 1385765951 /nfs/dbraw/zinc/76/59/51/1385765951.db2.gz ATKISXPVWLHHDL-WOJBJXKFSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997613 1385769429 /nfs/dbraw/zinc/76/94/29/1385769429.db2.gz UARHXDIUPCUBOT-RBUKOAKNSA-N 2 0 339.568 3.275 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001318664193 1385824870 /nfs/dbraw/zinc/82/48/70/1385824870.db2.gz KPWVFXDAZACLLV-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001318960158 1385898709 /nfs/dbraw/zinc/89/87/09/1385898709.db2.gz ZPVUOQYCRWDJIO-VAMGGRTRSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1)[NH+](C)C ZINC001318975474 1385904278 /nfs/dbraw/zinc/90/42/78/1385904278.db2.gz IKAOQFYYYIDHCQ-OSEILGGNSA-N 2 0 343.515 3.057 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)CC[N@@H+]1C ZINC001177395025 1385941906 /nfs/dbraw/zinc/94/19/06/1385941906.db2.gz ZAWSJTLMZKXSPO-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)[NH+](CC)CC ZINC001177412712 1385947059 /nfs/dbraw/zinc/94/70/59/1385947059.db2.gz HLKXXBUYBLTVJL-SFHVURJKSA-N 2 0 325.541 3.125 20 0 EGADRP CC[C@@H](C(=O)N(CCC[NH2+]CC[C@H](C)F)CC1CCCC1)[NH+](C)C ZINC001177415790 1385948692 /nfs/dbraw/zinc/94/86/92/1385948692.db2.gz LOQDAONIDPYOPQ-WMZOPIPTSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001177440679 1385958432 /nfs/dbraw/zinc/95/84/32/1385958432.db2.gz PKKSSBQKMQLYHY-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177463075 1385965269 /nfs/dbraw/zinc/96/52/69/1385965269.db2.gz MRSYTFHGORAVMA-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001177463213 1385966075 /nfs/dbraw/zinc/96/60/75/1385966075.db2.gz UIHNYGSMAGIBEZ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC001177483214 1385973483 /nfs/dbraw/zinc/97/34/83/1385973483.db2.gz JCUATRFBIPPJME-KRWDZBQOSA-N 2 0 326.444 3.090 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319209186 1386006333 /nfs/dbraw/zinc/00/63/33/1386006333.db2.gz NJHHIOXIPNRNEY-PXNSSMCTSA-N 2 0 345.531 3.136 20 0 EGADRP O=c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC001178285080 1386180190 /nfs/dbraw/zinc/18/01/90/1386180190.db2.gz JRRGSCAWUJKXOA-VAMGGRTRSA-N 2 0 337.467 3.178 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)CC ZINC001178633660 1386265379 /nfs/dbraw/zinc/26/53/79/1386265379.db2.gz CPZNPJVBICWNBX-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001178693512 1386279573 /nfs/dbraw/zinc/27/95/73/1386279573.db2.gz UWNBGBMDLXTMRX-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CCCC1CCC1)C1CC1 ZINC001178698649 1386281807 /nfs/dbraw/zinc/28/18/07/1386281807.db2.gz PRKPYNQOQYSHGH-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001178816045 1386315608 /nfs/dbraw/zinc/31/56/08/1386315608.db2.gz SAFTZFSFTRABRV-LJQANCHMSA-N 2 0 333.520 3.101 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001178827671 1386319620 /nfs/dbraw/zinc/31/96/20/1386319620.db2.gz MEYZRSIOQCKELH-FQEVSTJZSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001178908119 1386345299 /nfs/dbraw/zinc/34/52/99/1386345299.db2.gz IIXFJLJVVFBAII-UHFFFAOYSA-N 2 0 342.487 3.489 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178921081 1386350236 /nfs/dbraw/zinc/35/02/36/1386350236.db2.gz VRJVUWDTDWCZBG-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001319918582 1386390385 /nfs/dbraw/zinc/39/03/85/1386390385.db2.gz QHXKTPIFAJIREX-YJBOKZPZSA-N 2 0 349.494 3.101 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1c(C)cc(C)cc1C)C(C)C)[NH+](C)C ZINC001319945516 1386408022 /nfs/dbraw/zinc/40/80/22/1386408022.db2.gz VFBCMXKOKDWNBT-UXHICEINSA-N 2 0 347.547 3.182 20 0 EGADRP CC(C)(C(=O)NCCCCCC[NH2+]CCCCCF)[NH+]1CCCC1 ZINC001179212787 1386425467 /nfs/dbraw/zinc/42/54/67/1386425467.db2.gz WDEVFFJUOANHKJ-UHFFFAOYSA-N 2 0 343.531 3.267 20 0 EGADRP CC(C)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CCCC1 ZINC001319969320 1386426437 /nfs/dbraw/zinc/42/64/37/1386426437.db2.gz XMOSCEVSBQGZTP-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC(C)C)C1 ZINC001179357412 1386462048 /nfs/dbraw/zinc/46/20/48/1386462048.db2.gz BDFYOGMONAYHAZ-GOSISDBHSA-N 2 0 325.541 3.031 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179392775 1386472757 /nfs/dbraw/zinc/47/27/57/1386472757.db2.gz KHFYBGLAROYXMH-VOTSOKGWSA-N 2 0 337.552 3.341 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001179395353 1386473758 /nfs/dbraw/zinc/47/37/58/1386473758.db2.gz LLTMYWUSWICDKP-GOSISDBHSA-N 2 0 345.531 3.356 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001179393127 1386474012 /nfs/dbraw/zinc/47/40/12/1386474012.db2.gz QTNDDQJTRNHYGC-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179400744 1386474995 /nfs/dbraw/zinc/47/49/95/1386474995.db2.gz WFSOBDUFFPTZKP-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H]1C)[NH+](CC)CC ZINC001179521964 1386504810 /nfs/dbraw/zinc/50/48/10/1386504810.db2.gz WNMDAJLMRHADEF-YSIASYRMSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179546583 1386512201 /nfs/dbraw/zinc/51/22/01/1386512201.db2.gz XCWZUWSOFGVZRG-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H]1C)[NH+](C)C ZINC001179554038 1386512733 /nfs/dbraw/zinc/51/27/33/1386512733.db2.gz LUEAYSVCPSSBDI-FJIULQGVSA-N 2 0 343.515 3.009 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@H+]2CCC[C@H]2C)c1 ZINC001179580645 1386522475 /nfs/dbraw/zinc/52/24/75/1386522475.db2.gz KYOJYHVJWIJBFU-LJQANCHMSA-N 2 0 345.531 3.246 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001179585259 1386523461 /nfs/dbraw/zinc/52/34/61/1386523461.db2.gz FNTJANSVWNODLM-LJQANCHMSA-N 2 0 345.531 3.103 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179589898 1386524900 /nfs/dbraw/zinc/52/49/00/1386524900.db2.gz DXFSUGLOZJKWPG-IBGZPJMESA-N 2 0 343.531 3.265 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001179746011 1386570082 /nfs/dbraw/zinc/57/00/82/1386570082.db2.gz LASMNKVTGCFJER-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001179746080 1386570391 /nfs/dbraw/zinc/57/03/91/1386570391.db2.gz NZFODLISTGPYHP-MSOLQXFVSA-N 2 0 343.531 3.264 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC001320364968 1386589213 /nfs/dbraw/zinc/58/92/13/1386589213.db2.gz SQEPMURKFLRPHR-HZPDHXFCSA-N 2 0 341.499 3.355 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179891923 1386620529 /nfs/dbraw/zinc/62/05/29/1386620529.db2.gz IXVIFDAFVLKEOZ-KRWDZBQOSA-N 2 0 325.541 3.031 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C[NH2+]C(C)(C)C)c2)CC1 ZINC001320522122 1386636231 /nfs/dbraw/zinc/63/62/31/1386636231.db2.gz GERDIETVCPQGFK-UHFFFAOYSA-N 2 0 331.504 3.288 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179965107 1386651246 /nfs/dbraw/zinc/65/12/46/1386651246.db2.gz RTWJZWMTTOFABL-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967500 1386652055 /nfs/dbraw/zinc/65/20/55/1386652055.db2.gz CSXNCTFGHWFJMJ-HBFSDRIKSA-N 2 0 345.531 3.367 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)[C@@H]1C ZINC001179976058 1386655129 /nfs/dbraw/zinc/65/51/29/1386655129.db2.gz GVVYMUULRYOYQW-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001180035373 1386675278 /nfs/dbraw/zinc/67/52/78/1386675278.db2.gz BCXFVGLFFVZEQF-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCCCCCC[NH2+]CC1CC1)c1ccccc1 ZINC001180039510 1386676914 /nfs/dbraw/zinc/67/69/14/1386676914.db2.gz AKLPVRPMVZEQLG-NRFANRHFSA-N 2 0 345.531 3.140 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001180060863 1386683618 /nfs/dbraw/zinc/68/36/18/1386683618.db2.gz RWMURFISFSZSOV-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180065519 1386685447 /nfs/dbraw/zinc/68/54/47/1386685447.db2.gz QQZZPMNGTWAGAI-GOSISDBHSA-N 2 0 325.541 3.175 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065597 1386685526 /nfs/dbraw/zinc/68/55/26/1386685526.db2.gz VIKZIQBEJJQVCU-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CCC ZINC001180118129 1386702474 /nfs/dbraw/zinc/70/24/74/1386702474.db2.gz WOVPPZYGJOYULU-VOTSOKGWSA-N 2 0 325.541 3.341 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180156998 1386716860 /nfs/dbraw/zinc/71/68/60/1386716860.db2.gz PLRFPUHIPDWWQL-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCCCCC[NH2+]CC1CCC1 ZINC001180294361 1386757486 /nfs/dbraw/zinc/75/74/86/1386757486.db2.gz CHIKLAJJBKLECV-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CCc1cccc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001180369813 1386776747 /nfs/dbraw/zinc/77/67/47/1386776747.db2.gz YYUSCDFAGRRQET-UHFFFAOYSA-N 2 0 347.547 3.355 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180372892 1386777490 /nfs/dbraw/zinc/77/74/90/1386777490.db2.gz LOEDZLQDLPTVIT-ROUUACIJSA-N 2 0 343.531 3.121 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180372878 1386777867 /nfs/dbraw/zinc/77/78/67/1386777867.db2.gz KHBJZFJLCBBJPS-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180372858 1386777971 /nfs/dbraw/zinc/77/79/71/1386777971.db2.gz JNBVBXZGVSEZMA-FQEVSTJZSA-N 2 0 345.531 3.327 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321069244 1386799242 /nfs/dbraw/zinc/79/92/42/1386799242.db2.gz AFIXFEDHHGHYPM-KRWDZBQOSA-N 2 0 326.488 3.441 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001322033738 1387035094 /nfs/dbraw/zinc/03/50/94/1387035094.db2.gz ANTSSFPKAJGHSW-FXAWDEMLSA-N 2 0 345.531 3.352 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC1=CCCCC1 ZINC001181930499 1387078821 /nfs/dbraw/zinc/07/88/21/1387078821.db2.gz AKRYLFBPNLGHCX-YFVAEKQCSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001181997165 1387089511 /nfs/dbraw/zinc/08/95/11/1387089511.db2.gz GCWNXQLPYFKSFF-IBGZPJMESA-N 2 0 329.488 3.309 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001322274949 1387134341 /nfs/dbraw/zinc/13/43/41/1387134341.db2.gz RZDYBNPZKMBCRT-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589515 1387192406 /nfs/dbraw/zinc/19/24/06/1387192406.db2.gz HAEWMMZJJKXOTF-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001182591229 1387193007 /nfs/dbraw/zinc/19/30/07/1387193007.db2.gz WNYPJRNITKTTHQ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182806488 1387227540 /nfs/dbraw/zinc/22/75/40/1387227540.db2.gz GQMRGGRHGHQYPI-WSTZPKSXSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001182974039 1387252251 /nfs/dbraw/zinc/25/22/51/1387252251.db2.gz WSCSTWLDKBVXAP-MRXNPFEDSA-N 2 0 337.533 3.050 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CCC([NH2+]Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001329243294 1389033387 /nfs/dbraw/zinc/03/33/87/1389033387.db2.gz LEXJKVBQVLGDQD-MHJFOBGBSA-N 2 0 345.531 3.194 20 0 EGADRP [NH3+][C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC001329565136 1389158720 /nfs/dbraw/zinc/15/87/20/1389158720.db2.gz VLOLRKFCHAHRTG-LJQANCHMSA-N 2 0 335.536 3.055 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336785653 1389168976 /nfs/dbraw/zinc/16/89/76/1389168976.db2.gz QRQQKRIJLNRAOT-XJKSGUPXSA-N 2 0 344.421 3.449 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001698718582 1406363258 /nfs/dbraw/zinc/36/32/58/1406363258.db2.gz ZXZUFYFYKIZNQB-SNRMKQJTSA-N 2 0 349.494 3.246 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccccc2)CCC1 ZINC001329924514 1389261583 /nfs/dbraw/zinc/26/15/83/1389261583.db2.gz WIWFVTLWYXTNHY-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001698721619 1406367362 /nfs/dbraw/zinc/36/73/62/1406367362.db2.gz PLSKCWNUOJZTDY-LYBXBRPPSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)C1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001330545436 1389451293 /nfs/dbraw/zinc/45/12/93/1389451293.db2.gz VIESAZZWOQXDDG-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ncccc2C)cc1 ZINC001331382278 1389726504 /nfs/dbraw/zinc/72/65/04/1389726504.db2.gz GUTJDAACUNIJQG-UHFFFAOYSA-N 2 0 327.472 3.400 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001698749940 1406400661 /nfs/dbraw/zinc/40/06/61/1406400661.db2.gz YDQPOXSLRUNWAV-MAUKXSAKSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC001332093409 1389979444 /nfs/dbraw/zinc/97/94/44/1389979444.db2.gz JUSRMXWJAJGOKO-UTKZUKDTSA-N 2 0 343.515 3.067 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]C1 ZINC001332120321 1389996736 /nfs/dbraw/zinc/99/67/36/1389996736.db2.gz SBMWKRVDIOXHMQ-FQEVSTJZSA-N 2 0 329.488 3.391 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc(NC(C)C)nc1 ZINC001339395184 1390017194 /nfs/dbraw/zinc/01/71/94/1390017194.db2.gz KPPIMYXDIPBQOD-UHFFFAOYSA-N 2 0 336.399 3.043 20 0 EGADRP Cc1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001332423418 1390112767 /nfs/dbraw/zinc/11/27/67/1390112767.db2.gz BDLTWBAEFTZERJ-UHFFFAOYSA-N 2 0 335.879 3.053 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC001332555225 1390134342 /nfs/dbraw/zinc/13/43/42/1390134342.db2.gz HAUPWSXRAJMBTH-GDBMZVCRSA-N 2 0 336.549 3.391 20 0 EGADRP C[C@H]([NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC001332839877 1390197930 /nfs/dbraw/zinc/19/79/30/1390197930.db2.gz BEILKRWPSFAJBG-FUHWJXTLSA-N 2 0 333.520 3.210 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc2)C1 ZINC001340107487 1390228040 /nfs/dbraw/zinc/22/80/40/1390228040.db2.gz YOOWTTJMJMGWEO-CRAIPNDOSA-N 2 0 347.503 3.109 20 0 EGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340242671 1390257516 /nfs/dbraw/zinc/25/75/16/1390257516.db2.gz VZKAOLRPGGYZCK-OALUTQOASA-N 2 0 345.531 3.121 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC001340515467 1390303620 /nfs/dbraw/zinc/30/36/20/1390303620.db2.gz OEBNVCVFJFZJLI-LSDHHAIUSA-N 2 0 329.488 3.299 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001698777497 1406442686 /nfs/dbraw/zinc/44/26/86/1406442686.db2.gz ZDKGWKLUOJAGTF-OALUTQOASA-N 2 0 345.531 3.130 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC001334121081 1390482609 /nfs/dbraw/zinc/48/26/09/1390482609.db2.gz HKHUABXCXDZWIW-HNNXBMFYSA-N 2 0 340.427 3.254 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001341701026 1390519159 /nfs/dbraw/zinc/51/91/59/1390519159.db2.gz MPPATERGBNMGOJ-HOJAQTOUSA-N 2 0 345.531 3.261 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]CC2)cc1 ZINC001342082986 1390569384 /nfs/dbraw/zinc/56/93/84/1390569384.db2.gz TULAXUPJTCIHNS-QGZVFWFLSA-N 2 0 331.504 3.038 20 0 EGADRP c1ccc(C2CCC(C[NH2+]C[C@H]3CN4CCC[C@H]4CO3)CC2)cc1 ZINC001343259927 1390703147 /nfs/dbraw/zinc/70/31/47/1390703147.db2.gz AHVIFCRFQPGDSO-BOWFFMLLSA-N 2 0 328.500 3.413 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cn1 ZINC001343334292 1390708002 /nfs/dbraw/zinc/70/80/02/1390708002.db2.gz RTLBMUVLGIHGEO-OTWHNJEPSA-N 2 0 330.520 3.088 20 0 EGADRP CSC[C@@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001344032104 1390751457 /nfs/dbraw/zinc/75/14/57/1390751457.db2.gz OZTBOUMSFHZOQM-XUBOLADHSA-N 2 0 348.556 3.276 20 0 EGADRP Cn1cc(-c2ccc(C[N@H+](CCC[NH3+])CC3CCCC3)cc2)cn1 ZINC001349326082 1391320964 /nfs/dbraw/zinc/32/09/64/1391320964.db2.gz SSFWLGQNMBSBHX-UHFFFAOYSA-N 2 0 326.488 3.428 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001353548568 1392037461 /nfs/dbraw/zinc/03/74/61/1392037461.db2.gz KWCZJMPOKDJSKD-ZIFCJYIRSA-N 2 0 345.531 3.400 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001479391377 1392232075 /nfs/dbraw/zinc/23/20/75/1392232075.db2.gz HOYLAGJGLKOQNM-IYARVYRRSA-N 2 0 349.563 3.029 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001479503282 1392259526 /nfs/dbraw/zinc/25/95/26/1392259526.db2.gz NDHTXCBAJPHOJQ-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](C(C)C)CC1 ZINC001479995584 1392527442 /nfs/dbraw/zinc/52/74/42/1392527442.db2.gz PBPCJMUADGRHJC-UHFFFAOYSA-N 2 0 337.552 3.218 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001480739541 1392905126 /nfs/dbraw/zinc/90/51/26/1392905126.db2.gz QXNWYYDEJCCHKO-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001480791829 1392936132 /nfs/dbraw/zinc/93/61/32/1392936132.db2.gz DCFGHSKKAMXLKK-JXFKEZNVSA-N 2 0 341.499 3.164 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001481319477 1393163234 /nfs/dbraw/zinc/16/32/34/1393163234.db2.gz GGOZESKCRRERLF-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001481358745 1393180561 /nfs/dbraw/zinc/18/05/61/1393180561.db2.gz XTVWNYROWDGASB-VQTJNVASSA-N 2 0 345.531 3.307 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1)CC(C)(C)C ZINC001481537178 1394397492 /nfs/dbraw/zinc/39/74/92/1394397492.db2.gz KXUTXXLWJFUBGY-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001491119270 1394438361 /nfs/dbraw/zinc/43/83/61/1394438361.db2.gz CJVOHMKIDIWUAG-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001491128228 1394443824 /nfs/dbraw/zinc/44/38/24/1394443824.db2.gz KOPMQBZBDVELRX-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001491128232 1394444049 /nfs/dbraw/zinc/44/40/49/1394444049.db2.gz KOPMQBZBDVELRX-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1 ZINC001698951235 1406692034 /nfs/dbraw/zinc/69/20/34/1406692034.db2.gz DZKXYACSNJIXTP-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491167984 1394455984 /nfs/dbraw/zinc/45/59/84/1394455984.db2.gz CETZJWHHPODKNM-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001481748174 1394493510 /nfs/dbraw/zinc/49/35/10/1394493510.db2.gz GUMPDGCDTWXTFD-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491302809 1394502093 /nfs/dbraw/zinc/50/20/93/1394502093.db2.gz YWGBMBDZWYKXAE-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491302807 1394502295 /nfs/dbraw/zinc/50/22/95/1394502295.db2.gz YWGBMBDZWYKXAE-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C)c1ccccc1 ZINC001482062853 1394723263 /nfs/dbraw/zinc/72/32/63/1394723263.db2.gz DJBXJAGDSPWJAA-QYZOEREBSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2C)CCCC1)[NH+](C)C ZINC001482235964 1394831694 /nfs/dbraw/zinc/83/16/94/1394831694.db2.gz ZBOKOCVFNAPZSL-IEBWSBKVSA-N 2 0 345.531 3.415 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H](C)C1 ZINC001482433917 1394994168 /nfs/dbraw/zinc/99/41/68/1394994168.db2.gz MBNDCOUGBXSUFR-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001482475318 1395029744 /nfs/dbraw/zinc/02/97/44/1395029744.db2.gz IIADQMGQGXVFLD-XLIONFOSSA-N 2 0 345.531 3.031 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001483913100 1395141845 /nfs/dbraw/zinc/14/18/45/1395141845.db2.gz SMKHKPUCZYATJE-AEFFLSMTSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001483943144 1395155156 /nfs/dbraw/zinc/15/51/56/1395155156.db2.gz UHCXMSNIUMZAAD-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484534809 1395420285 /nfs/dbraw/zinc/42/02/85/1395420285.db2.gz AEUBBKBLMLLWQW-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C/c2ccccc2)[C@H](C)C1 ZINC001484982961 1395623728 /nfs/dbraw/zinc/62/37/28/1395623728.db2.gz USJRQWZREIYUAC-FFQNAWCLSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001485515844 1395992601 /nfs/dbraw/zinc/99/26/01/1395992601.db2.gz OFMADYPHPZOWQS-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001503503180 1396257662 /nfs/dbraw/zinc/25/76/62/1396257662.db2.gz XGDWBYOUZKSWBR-ROUUACIJSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001690312131 1404468428 /nfs/dbraw/zinc/46/84/28/1404468428.db2.gz FKOKJJHBLFTETQ-YQQQUEKLSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690392516 1404533905 /nfs/dbraw/zinc/53/39/05/1404533905.db2.gz ZOSSZHUECRYURN-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCCCC2)CC1 ZINC001690452399 1404578728 /nfs/dbraw/zinc/57/87/28/1404578728.db2.gz DFGJHFMHXGZXOP-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001690484336 1404600944 /nfs/dbraw/zinc/60/09/44/1404600944.db2.gz OVMJOEKQMBWHQQ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690783209 1404731121 /nfs/dbraw/zinc/73/11/21/1404731121.db2.gz BIRYVPOEWWAHFR-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690824390 1404760469 /nfs/dbraw/zinc/76/04/69/1404760469.db2.gz CJKUKVYDEYIVQP-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCCC2)CC1 ZINC001691065889 1404992548 /nfs/dbraw/zinc/99/25/48/1404992548.db2.gz HZVMYJLIHHLPBD-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001725631051 1426299295 /nfs/dbraw/zinc/29/92/95/1426299295.db2.gz OEXCDPBHMKSYBZ-SJLPKXTDSA-N 2 0 339.568 3.370 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001691098310 1405036078 /nfs/dbraw/zinc/03/60/78/1405036078.db2.gz GRZLQPCXSHTCBU-HDICACEKSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC[N@H+](CC2CCCCCC2)C2CC2)CC1 ZINC001691228053 1405167725 /nfs/dbraw/zinc/16/77/25/1405167725.db2.gz NQCUGWZEDYQIMT-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001691889285 1405612599 /nfs/dbraw/zinc/61/25/99/1405612599.db2.gz ZKGHHQHAIIKPNC-INIZCTEOSA-N 2 0 349.544 3.052 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001731803291 1427969811 /nfs/dbraw/zinc/96/98/11/1427969811.db2.gz JVTONOWBKRKYOQ-PMACEKPBSA-N 2 0 345.531 3.449 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001698547605 1406145353 /nfs/dbraw/zinc/14/53/53/1406145353.db2.gz YQGICAPQGFHDOK-UXPWSPDFSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001698576702 1406185948 /nfs/dbraw/zinc/18/59/48/1406185948.db2.gz YMOYYGFOHVIODH-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698585240 1406200433 /nfs/dbraw/zinc/20/04/33/1406200433.db2.gz LQSZPJWHOJLDGI-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001732055692 1428299267 /nfs/dbraw/zinc/29/92/67/1428299267.db2.gz YJGQPGBAZUEQNZ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001732081800 1428337232 /nfs/dbraw/zinc/33/72/32/1428337232.db2.gz QRXDXBSHBXKWTG-LJQANCHMSA-N 2 0 345.531 3.007 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH+](CCCC(C)(C)C)C2)c1 ZINC001732138949 1428384849 /nfs/dbraw/zinc/38/48/49/1428384849.db2.gz NBXDWNDRHRMYKD-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732153193 1428396485 /nfs/dbraw/zinc/39/64/85/1428396485.db2.gz XZOAZWGGUMHISS-SGSXCFNPSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001732314219 1428526081 /nfs/dbraw/zinc/52/60/81/1428526081.db2.gz OHDAWTVUBWRPCI-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CCC2CC2)CCCC1)[NH+]1CCCCC1 ZINC001732399570 1428565729 /nfs/dbraw/zinc/56/57/29/1428565729.db2.gz BVZLBNKQDRNIIX-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2cccc(C)c2)CCCC1 ZINC001732400085 1428566095 /nfs/dbraw/zinc/56/60/95/1428566095.db2.gz VGNQSTRDCBCOKV-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001732400555 1428566582 /nfs/dbraw/zinc/56/65/82/1428566582.db2.gz SRAXUYWBZJLGOT-YRNVUSSQSA-N 2 0 341.927 3.024 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467824 1412838741 /nfs/dbraw/zinc/83/87/41/1412838741.db2.gz OGUUYQDTGUIFST-OALUTQOASA-N 2 0 345.531 3.224 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001699579861 1412935812 /nfs/dbraw/zinc/93/58/12/1412935812.db2.gz TXDBQTRENGWQOQ-UZLBHIALSA-N 2 0 343.515 3.025 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001699606802 1412970690 /nfs/dbraw/zinc/97/06/90/1412970690.db2.gz OSVPXUIBFFCNHF-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1nccn1CCCC(=O)N[C@]1(C)CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001699856856 1413288417 /nfs/dbraw/zinc/28/84/17/1413288417.db2.gz XZEOCKSIWLFAMB-YLJYHZDGSA-N 2 0 348.535 3.235 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699978959 1413424002 /nfs/dbraw/zinc/42/40/02/1413424002.db2.gz IRSYGWANEXEJJH-FHWLQOOXSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700177764 1413587574 /nfs/dbraw/zinc/58/75/74/1413587574.db2.gz SRIXYPNHEQFQCE-IEBWSBKVSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CCC)C1 ZINC001700199109 1413640632 /nfs/dbraw/zinc/64/06/32/1413640632.db2.gz SYZHEWUKGUMODF-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)C1CCC([NH2+]CC2CCC2)CC1 ZINC001700437545 1414006263 /nfs/dbraw/zinc/00/62/63/1414006263.db2.gz IANKQIKXRFHAGM-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CC2)CCCCC1 ZINC001700529692 1414195961 /nfs/dbraw/zinc/19/59/61/1414195961.db2.gz ZJKWHLLWOCUQKW-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001700903659 1414558752 /nfs/dbraw/zinc/55/87/52/1414558752.db2.gz IWXHWABYLJQVJX-OALUTQOASA-N 2 0 345.531 3.039 20 0 EGADRP C[C@@H]1CC2(CN1C(=O)C[N@H+](C)CC(C)(C)C)CC[NH+](CC1CC1)CC2 ZINC001707125475 1417211367 /nfs/dbraw/zinc/21/13/67/1417211367.db2.gz RJZGKDTYJUYPIT-QGZVFWFLSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCCCC1 ZINC001707450150 1417354244 /nfs/dbraw/zinc/35/42/44/1417354244.db2.gz ZMJABCKWNHVWFX-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713060738 1417616625 /nfs/dbraw/zinc/61/66/25/1417616625.db2.gz IWCGLVQDMVTDGY-IIMWHKGRSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001713064341 1417623039 /nfs/dbraw/zinc/62/30/39/1417623039.db2.gz GIPHTFDDFQIKCZ-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]([NH2+]CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001713112154 1417674867 /nfs/dbraw/zinc/67/48/67/1417674867.db2.gz GIMIGEBTVSTISZ-IBGZPJMESA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001713222156 1417808526 /nfs/dbraw/zinc/80/85/26/1417808526.db2.gz XRVSPFHWHTVGCE-LJQANCHMSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713276519 1417896845 /nfs/dbraw/zinc/89/68/45/1417896845.db2.gz WTJXCRCISHUDOE-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001713279873 1417906055 /nfs/dbraw/zinc/90/60/55/1417906055.db2.gz VPCIARVKXLWSOU-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001713279872 1417906246 /nfs/dbraw/zinc/90/62/46/1417906246.db2.gz VPCIARVKXLWSOU-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001713514679 1418248154 /nfs/dbraw/zinc/24/81/54/1418248154.db2.gz GGIFIOCFZIVDHK-ICSRJNTNSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH+](C)CCCC3CCC3)CC2)C1 ZINC001713766429 1418579913 /nfs/dbraw/zinc/57/99/13/1418579913.db2.gz ZOMBHEKFWVBNFF-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CCc1ccc(C[NH+]2CCC(N(C)C(=O)CC[N@@H+](C)CC)CC2)cc1 ZINC001713784208 1418600378 /nfs/dbraw/zinc/60/03/78/1418600378.db2.gz LRVCKRCUWWEVBS-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001713788377 1418605269 /nfs/dbraw/zinc/60/52/69/1418605269.db2.gz FGADGBMGEUKWPH-MISYRCLQSA-N 2 0 345.531 3.223 20 0 EGADRP CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCC)CC1 ZINC001713857637 1418654389 /nfs/dbraw/zinc/65/43/89/1418654389.db2.gz CDTLYLPZWUUZJC-SFHVURJKSA-N 2 0 337.552 3.364 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001713890849 1418687153 /nfs/dbraw/zinc/68/71/53/1418687153.db2.gz CEKPSXFPWUMZLH-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713897198 1418695644 /nfs/dbraw/zinc/69/56/44/1418695644.db2.gz HWUGMLKMPRPSDX-RBUKOAKNSA-N 2 0 345.531 3.260 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCCC2)c1 ZINC001714150742 1418957113 /nfs/dbraw/zinc/95/71/13/1418957113.db2.gz HGCCQAZLBKSDQH-IEBWSBKVSA-N 2 0 343.515 3.026 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714154779 1418963347 /nfs/dbraw/zinc/96/33/47/1418963347.db2.gz ZIXVUWMGSAGSTR-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001714191474 1418998105 /nfs/dbraw/zinc/99/81/05/1418998105.db2.gz NOMPNTDPFMLTFI-UHFFFAOYSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001714308378 1419088266 /nfs/dbraw/zinc/08/82/66/1419088266.db2.gz CVKIUMZEGPYTJC-KRWDZBQOSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714446999 1419178949 /nfs/dbraw/zinc/17/89/49/1419178949.db2.gz XUIYUUQBFMAMNX-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]cn1)[C@H](C)c1ccccc1C ZINC001714593034 1419341823 /nfs/dbraw/zinc/34/18/23/1419341823.db2.gz CYBKVFFCQKAMKI-IAGOWNOFSA-N 2 0 342.487 3.096 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001714881378 1419618562 /nfs/dbraw/zinc/61/85/62/1419618562.db2.gz AZNRSVNBTWUSEK-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2C[NH+](CCC3CCCC3)C2)CCCCC1 ZINC001714971318 1419706300 /nfs/dbraw/zinc/70/63/00/1419706300.db2.gz JPHMHGJIZSQLQI-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001715023887 1419755155 /nfs/dbraw/zinc/75/51/55/1419755155.db2.gz GUQCZHMBBSQEFU-RTBURBONSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001715045820 1419786338 /nfs/dbraw/zinc/78/63/38/1419786338.db2.gz LDQODWDFFVLDCK-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H](CNC(=O)CC[N@H+](C)CC)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001715079655 1419815881 /nfs/dbraw/zinc/81/58/81/1419815881.db2.gz AAWSIOVBPSQLEF-PKOBYXMFSA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2c(C)cccc2C)CCCC1)[NH+](C)C ZINC001715306890 1420015735 /nfs/dbraw/zinc/01/57/35/1420015735.db2.gz URBKUAYOWKEWGZ-IBGZPJMESA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc2ccccc2c1)N(C)C(=O)CCC[NH+](C)C ZINC001715352537 1420053194 /nfs/dbraw/zinc/05/31/94/1420053194.db2.gz GOQHTVNXEYEMLV-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001715554207 1420248721 /nfs/dbraw/zinc/24/87/21/1420248721.db2.gz HDJHTTATZSFFSN-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001715949023 1420416399 /nfs/dbraw/zinc/41/63/99/1420416399.db2.gz LAUPOXJFJWDNJQ-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715961120 1420427724 /nfs/dbraw/zinc/42/77/24/1420427724.db2.gz ZMODZSJNOUDBPK-APWZRJJASA-N 2 0 349.494 3.009 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001716043381 1420506819 /nfs/dbraw/zinc/50/68/19/1420506819.db2.gz WFDKISNEZPVJNW-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001716407245 1420639137 /nfs/dbraw/zinc/63/91/37/1420639137.db2.gz DPQRAYDNYUJLSB-JTDSTZFVSA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001716728108 1420887089 /nfs/dbraw/zinc/88/70/89/1420887089.db2.gz OAPXVYQJPCFAFJ-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CCCCC2)C2CCCC2)CC1 ZINC001716821394 1420947451 /nfs/dbraw/zinc/94/74/51/1420947451.db2.gz PDQVYLSWVHHBRL-FQEVSTJZSA-N 2 0 349.563 3.173 20 0 EGADRP CCc1cccc(C[N@H+](C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001717207904 1421178907 /nfs/dbraw/zinc/17/89/07/1421178907.db2.gz USOOVNQFFZENKJ-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](CC)CC)cc2C1 ZINC001717271162 1421228738 /nfs/dbraw/zinc/22/87/38/1421228738.db2.gz ZLSPTFWVVZNIKN-LJQANCHMSA-N 2 0 331.504 3.149 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC001717333641 1421269523 /nfs/dbraw/zinc/26/95/23/1421269523.db2.gz KDBIVZJULCTXIZ-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001717340995 1421278721 /nfs/dbraw/zinc/27/87/21/1421278721.db2.gz VYQNKJKQTHVWBR-DLBZAZTESA-N 2 0 331.504 3.025 20 0 EGADRP CCC(CC)C[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001717454465 1421383723 /nfs/dbraw/zinc/38/37/23/1421383723.db2.gz CFAQHCOACNNDJZ-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001717500822 1421444819 /nfs/dbraw/zinc/44/48/19/1421444819.db2.gz YEWTWQAAXFAJRS-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)[C@@H]1C ZINC001717859649 1421672100 /nfs/dbraw/zinc/67/21/00/1421672100.db2.gz CSRDBDCZWZLLFX-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)[C@H]1C ZINC001717859987 1421672518 /nfs/dbraw/zinc/67/25/18/1421672518.db2.gz HGRYWVBISKFIPO-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CC2CCCCC2)C2CCCC2)CC1 ZINC001733384687 1429571218 /nfs/dbraw/zinc/57/12/18/1429571218.db2.gz YSUGDWILTFDHMF-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CCCC(C)(C)C)C1 ZINC001733461995 1429688739 /nfs/dbraw/zinc/68/87/39/1429688739.db2.gz LDRZTDGBQPRGFC-FQEVSTJZSA-N 2 0 339.568 3.373 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001723859019 1424587272 /nfs/dbraw/zinc/58/72/72/1424587272.db2.gz HTWURPJBWRCQSK-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001724303543 1424788033 /nfs/dbraw/zinc/78/80/33/1424788033.db2.gz ZQNINAXVXFKDPW-IBGZPJMESA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCC1)[NH+]1CCCCC1 ZINC001724802206 1425170667 /nfs/dbraw/zinc/17/06/67/1425170667.db2.gz YNXPJYAGFGRXSO-ACBHZAAOSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001724859502 1425241976 /nfs/dbraw/zinc/24/19/76/1425241976.db2.gz AYCXTHHEJYNDCI-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724864401 1425247348 /nfs/dbraw/zinc/24/73/48/1425247348.db2.gz SXMRGFDWVRTRQY-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001724939698 1425323199 /nfs/dbraw/zinc/32/31/99/1425323199.db2.gz BVAUFZXXSMJCJD-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001724939695 1425323318 /nfs/dbraw/zinc/32/33/18/1425323318.db2.gz BVAUFZXXSMJCJD-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001724943562 1425328718 /nfs/dbraw/zinc/32/87/18/1425328718.db2.gz FZJBRCWIADDYKF-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CCc1ccc(C[NH+](C)C[C@H]2CCCN2C(=O)CC[N@@H+](C)CC)cc1 ZINC001725047299 1425477256 /nfs/dbraw/zinc/47/72/56/1425477256.db2.gz FZRZATRPDLLWAQ-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001725212895 1425775049 /nfs/dbraw/zinc/77/50/49/1425775049.db2.gz NNSCWXQAMWHJGO-KRWDZBQOSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001725464036 1426131182 /nfs/dbraw/zinc/13/11/82/1426131182.db2.gz WVXAGOWXZPEWMK-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001725526622 1426216930 /nfs/dbraw/zinc/21/69/30/1426216930.db2.gz WWPZFAOVLSLGGE-ZWKOTPCHSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1C/C=C\c1ccccc1 ZINC001731543948 1427560003 /nfs/dbraw/zinc/56/00/03/1427560003.db2.gz OXDHCMUWGQMVRR-FNUUXAGOSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731561066 1427597861 /nfs/dbraw/zinc/59/78/61/1427597861.db2.gz YQIUERUHXQHYBQ-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1)c1ccccc1F ZINC001731639087 1427696059 /nfs/dbraw/zinc/69/60/59/1427696059.db2.gz GONMRTZFXNWLFZ-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001731721621 1427791539 /nfs/dbraw/zinc/79/15/39/1427791539.db2.gz WATXGJSBAWNCNP-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001733670568 1429864317 /nfs/dbraw/zinc/86/43/17/1429864317.db2.gz LWFIFIZFHRWONY-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001733766134 1429988531 /nfs/dbraw/zinc/98/85/31/1429988531.db2.gz BYIAZGFEDBIXAJ-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001734061450 1437855095 /nfs/dbraw/zinc/85/50/95/1437855095.db2.gz FDJWQAWLYQBOEG-XLIONFOSSA-N 2 0 347.547 3.333 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001734332333 1438055519 /nfs/dbraw/zinc/05/55/19/1438055519.db2.gz SUALVANCZUJBCO-PKOBYXMFSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001734422943 1438090651 /nfs/dbraw/zinc/09/06/51/1438090651.db2.gz KFTPFQVTFPAJMS-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001751974571 1440129997 /nfs/dbraw/zinc/12/99/97/1440129997.db2.gz HTSBRERHJZDTPW-LPHOPBHVSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001752154274 1440146680 /nfs/dbraw/zinc/14/66/80/1440146680.db2.gz CHBWMFHOKISVOM-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001752155418 1440146980 /nfs/dbraw/zinc/14/69/80/1440146980.db2.gz GQZPVMLPLJYNGR-QFBILLFUSA-N 2 0 349.494 3.025 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001752181970 1440151117 /nfs/dbraw/zinc/15/11/17/1440151117.db2.gz REMSHCHAIPPDCE-MISYRCLQSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001752425673 1440177058 /nfs/dbraw/zinc/17/70/58/1440177058.db2.gz SIXFINFWZZUWLZ-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC001752765073 1440205540 /nfs/dbraw/zinc/20/55/40/1440205540.db2.gz GWJBBVMEBZOUNU-KANFNMMFSA-N 2 0 331.504 3.105 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001752806841 1440215864 /nfs/dbraw/zinc/21/58/64/1440215864.db2.gz TWPACTRVQZDHOV-LJQANCHMSA-N 2 0 347.547 3.047 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752822918 1440221831 /nfs/dbraw/zinc/22/18/31/1440221831.db2.gz QPNLNUKRUFQVGZ-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752836953 1440228266 /nfs/dbraw/zinc/22/82/66/1440228266.db2.gz QEFOGOVLOZSFBU-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001752948847 1440251844 /nfs/dbraw/zinc/25/18/44/1440251844.db2.gz GGNLIKIPCATSBK-IHPCNDPISA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCCC1 ZINC001753084385 1440295473 /nfs/dbraw/zinc/29/54/73/1440295473.db2.gz NDQVRXCNKPTJIV-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1F ZINC001753091033 1440298974 /nfs/dbraw/zinc/29/89/74/1440298974.db2.gz GOOWISQCMZQKIT-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753203141 1440338515 /nfs/dbraw/zinc/33/85/15/1440338515.db2.gz SKQYUIWUFPOLPT-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)c1cnc[nH]1)c1cccc(Cl)c1 ZINC001753251867 1440343168 /nfs/dbraw/zinc/34/31/68/1440343168.db2.gz CKVHNKHROCUMMM-CYBMUJFWSA-N 2 0 348.878 3.150 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CC1CCCCC1 ZINC001753287005 1440349083 /nfs/dbraw/zinc/34/90/83/1440349083.db2.gz LVBNNQITODHPJP-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CCCC1 ZINC001753290414 1440349940 /nfs/dbraw/zinc/34/99/40/1440349940.db2.gz WOXLOBHHKWGCKT-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001753293363 1440351278 /nfs/dbraw/zinc/35/12/78/1440351278.db2.gz CVOOTWFUZYUUMD-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001753294276 1440351587 /nfs/dbraw/zinc/35/15/87/1440351587.db2.gz JGZUOCQNIFIDQW-PXNSSMCTSA-N 2 0 345.531 3.307 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1ccccc1 ZINC001753295542 1440352107 /nfs/dbraw/zinc/35/21/07/1440352107.db2.gz VYCBPZKHDJECHB-OALUTQOASA-N 2 0 345.531 3.276 20 0 EGADRP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001753313244 1440357800 /nfs/dbraw/zinc/35/78/00/1440357800.db2.gz WGEOAGKOZCCNML-VQTJNVASSA-N 2 0 345.531 3.352 20 0 EGADRP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753318510 1440361234 /nfs/dbraw/zinc/36/12/34/1440361234.db2.gz KPUYCPMUVCGTSC-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001753326675 1440366978 /nfs/dbraw/zinc/36/69/78/1440366978.db2.gz HYNIZDAOUSARMZ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@H](CCNC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001753328679 1440368128 /nfs/dbraw/zinc/36/81/28/1440368128.db2.gz YHUHVTOHEHDADK-XBMUEBEBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001753334156 1440371302 /nfs/dbraw/zinc/37/13/02/1440371302.db2.gz CTWBUAAGRDGWHO-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP CC1CCC(C[NH+]2CC(NC(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001753381990 1440387885 /nfs/dbraw/zinc/38/78/85/1440387885.db2.gz DRLFSCQDXVAHKG-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001753462276 1440411506 /nfs/dbraw/zinc/41/15/06/1440411506.db2.gz USGJDZVZHODTPB-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]CC2=CCCCC2)C1 ZINC001753484101 1440417377 /nfs/dbraw/zinc/41/73/77/1440417377.db2.gz MSRVRERBHWWYNW-RTBURBONSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001753523339 1440428952 /nfs/dbraw/zinc/42/89/52/1440428952.db2.gz HSWYUGMWMCFEDY-ZWOKBUDYSA-N 2 0 337.552 3.027 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001753527996 1440430135 /nfs/dbraw/zinc/43/01/35/1440430135.db2.gz KKXYYWWSFFLOJO-RXVVDRJESA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753547871 1440434479 /nfs/dbraw/zinc/43/44/79/1440434479.db2.gz FZOWRPUZSGXYKM-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753551906 1440435161 /nfs/dbraw/zinc/43/51/61/1440435161.db2.gz RZLIABCFGSPBBB-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC3CCCC3)C2)CC[N@@H+]1C ZINC001753554346 1440435642 /nfs/dbraw/zinc/43/56/42/1440435642.db2.gz XSRYHHVYGWMRQD-IHPCNDPISA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001753586916 1440441473 /nfs/dbraw/zinc/44/14/73/1440441473.db2.gz GVEXNXXAEWGFOI-ULQDDVLXSA-N 2 0 349.494 3.246 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001753599656 1440446076 /nfs/dbraw/zinc/44/60/76/1440446076.db2.gz SBJSROLDOGOHDR-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001753616208 1440449756 /nfs/dbraw/zinc/44/97/56/1440449756.db2.gz AWXVLYZDTPWFRB-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC1CCCCCC1 ZINC001753637821 1440453617 /nfs/dbraw/zinc/45/36/17/1440453617.db2.gz ONNGCDXBZUJJKO-MJGOQNOKSA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753639486 1440454093 /nfs/dbraw/zinc/45/40/93/1440454093.db2.gz HBEXCBZPAAOILC-HKUYNNGSSA-N 2 0 349.563 3.031 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001753699830 1440468199 /nfs/dbraw/zinc/46/81/99/1440468199.db2.gz DKCGWYUUXFTWMG-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC2CCCC2)C1 ZINC001753709320 1440470167 /nfs/dbraw/zinc/47/01/67/1440470167.db2.gz WEAQHCQRPGGPAC-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753716744 1440471997 /nfs/dbraw/zinc/47/19/97/1440471997.db2.gz AAHWEUMZVUBQTC-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001753781506 1440487340 /nfs/dbraw/zinc/48/73/40/1440487340.db2.gz MPFWUPNLJXFKJJ-INIZCTEOSA-N 2 0 328.460 3.027 20 0 EGADRP Cc1ccccc1C[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001753784237 1440487824 /nfs/dbraw/zinc/48/78/24/1440487824.db2.gz MGOJNYVUWIUWOJ-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001753786596 1440488181 /nfs/dbraw/zinc/48/81/81/1440488181.db2.gz RJMSIHSJIFVENH-IBGZPJMESA-N 2 0 349.494 3.028 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001753812541 1440493124 /nfs/dbraw/zinc/49/31/24/1440493124.db2.gz QOLSSUIGTAXHCG-ZYHOBAKYSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1CCCC1 ZINC001753842302 1440503112 /nfs/dbraw/zinc/50/31/12/1440503112.db2.gz KDRWEMRCXATPJC-LJQANCHMSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001753879036 1440520193 /nfs/dbraw/zinc/52/01/93/1440520193.db2.gz ZQMKWDVHFPHUMM-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001753895654 1440522729 /nfs/dbraw/zinc/52/27/29/1440522729.db2.gz YXVVLXZVWFRXJM-OALUTQOASA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001753895653 1440522730 /nfs/dbraw/zinc/52/27/30/1440522730.db2.gz YXVVLXZVWFRXJM-MOPGFXCFSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001754026238 1440533176 /nfs/dbraw/zinc/53/31/76/1440533176.db2.gz XMOQMVNXIHYJCL-MRXNPFEDSA-N 2 0 333.520 3.282 20 0 EGADRP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001754173350 1440547395 /nfs/dbraw/zinc/54/73/95/1440547395.db2.gz LUVWEBAJKQYZDS-JGPFYOFESA-N 2 0 349.906 3.005 20 0 EGADRP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CCC2CCCCCC2)CC1 ZINC001754180027 1440547963 /nfs/dbraw/zinc/54/79/63/1440547963.db2.gz TZTWPBHWEVNYPF-VOTSOKGWSA-N 2 0 349.563 3.341 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001754314518 1440574780 /nfs/dbraw/zinc/57/47/80/1440574780.db2.gz DRGWERREFFJFMB-JLAWEPINSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754400814 1440595183 /nfs/dbraw/zinc/59/51/83/1440595183.db2.gz IIWXRKHQAFGXLW-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001754538608 1440625507 /nfs/dbraw/zinc/62/55/07/1440625507.db2.gz MYURBCBSAMUVLO-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001754547809 1440628623 /nfs/dbraw/zinc/62/86/23/1440628623.db2.gz RPLDDWRTCKLQAY-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001754604425 1440643074 /nfs/dbraw/zinc/64/30/74/1440643074.db2.gz WSDDPIILBCASIU-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001754619030 1440644948 /nfs/dbraw/zinc/64/49/48/1440644948.db2.gz PQSPIONLZZEGMT-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC1(C)CC[NH+](C[C@@H](C)CC)CC1)[NH+](CC)CC ZINC001754629171 1440647173 /nfs/dbraw/zinc/64/71/73/1440647173.db2.gz SROVMDZQKXEOGH-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)C)C2CCCC2)CC[N@@H+]1C ZINC001754649338 1440651451 /nfs/dbraw/zinc/65/14/51/1440651451.db2.gz JBHSNZCERACIKX-GBESFXJTSA-N 2 0 337.552 3.027 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001754655205 1440653194 /nfs/dbraw/zinc/65/31/94/1440653194.db2.gz ZMHJSPKYFDHOSF-AEFFLSMTSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001754655721 1440653421 /nfs/dbraw/zinc/65/34/21/1440653421.db2.gz SNJIVCXKKZRKBR-RBUKOAKNSA-N 2 0 337.552 3.170 20 0 EGADRP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001754675378 1440659604 /nfs/dbraw/zinc/65/96/04/1440659604.db2.gz ODDDAFOLUKLFAX-HXUWFJFHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@]1(C[NH2+]CC2CCCC2)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001754711546 1440670434 /nfs/dbraw/zinc/67/04/34/1440670434.db2.gz AYJRQOZJAGKDHB-OAQYLSRUSA-N 2 0 349.563 3.271 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730791 1440679067 /nfs/dbraw/zinc/67/90/67/1440679067.db2.gz YXXVWMYYBGWLFW-IZRJCCQOSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001754838833 1440697308 /nfs/dbraw/zinc/69/73/08/1440697308.db2.gz QHJIPEKBVBNIIH-HXUWFJFHSA-N 2 0 343.515 3.055 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001754916250 1440708688 /nfs/dbraw/zinc/70/86/88/1440708688.db2.gz RVSVUPLGTHMVBS-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754981663 1440721405 /nfs/dbraw/zinc/72/14/05/1440721405.db2.gz BAKNOTZVUDSEHP-IBGZPJMESA-N 2 0 347.547 3.380 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001755024432 1440728133 /nfs/dbraw/zinc/72/81/33/1440728133.db2.gz YLVANBSLZWJVKI-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027590 1440729548 /nfs/dbraw/zinc/72/95/48/1440729548.db2.gz CHMJGWZAQGYSAO-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP CCC1([NH2+]C/C=C/Cl)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755072927 1440747271 /nfs/dbraw/zinc/74/72/71/1440747271.db2.gz ZBUWMWWOHSEXFZ-JXMROGBWSA-N 2 0 343.943 3.078 20 0 EGADRP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001755118877 1440755395 /nfs/dbraw/zinc/75/53/95/1440755395.db2.gz TWEIWWBRQQKEJD-QFBILLFUSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001755120814 1440755614 /nfs/dbraw/zinc/75/56/14/1440755614.db2.gz AFJBKIWUBZYNHU-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC2CCCCCC2)CC1 ZINC001755136267 1440758328 /nfs/dbraw/zinc/75/83/28/1440758328.db2.gz RWZKHTLNZRCAMH-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001755209097 1440782729 /nfs/dbraw/zinc/78/27/29/1440782729.db2.gz IJPIVBCDHGXMJT-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001755254899 1440792894 /nfs/dbraw/zinc/79/28/94/1440792894.db2.gz AHAKRZYIOXFHKA-ZWKOTPCHSA-N 2 0 347.547 3.264 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001755289382 1440803170 /nfs/dbraw/zinc/80/31/70/1440803170.db2.gz LTXQJZVFPLSYDO-QZTJIDSGSA-N 2 0 345.531 3.164 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001755367602 1440835294 /nfs/dbraw/zinc/83/52/94/1440835294.db2.gz GDQZZZPAQYRZGG-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414900 1440848146 /nfs/dbraw/zinc/84/81/46/1440848146.db2.gz CKYKVPGWSZIMGQ-QAPCUYQASA-N 2 0 349.494 3.055 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@H+](CCC1=CCCCC1)C2 ZINC001755457115 1440856040 /nfs/dbraw/zinc/85/60/40/1440856040.db2.gz JZMNDZARYBLXFH-UHFFFAOYSA-N 2 0 347.547 3.143 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC1CCC1)C2 ZINC001755457164 1440856047 /nfs/dbraw/zinc/85/60/47/1440856047.db2.gz LZIQMDKVFBATRK-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](CCC[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001755521123 1440864914 /nfs/dbraw/zinc/86/49/14/1440864914.db2.gz WWQMUEDUXBIRSR-GOSISDBHSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001755534312 1440868699 /nfs/dbraw/zinc/86/86/99/1440868699.db2.gz JGDNGLABQBDYSM-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001755561012 1440874503 /nfs/dbraw/zinc/87/45/03/1440874503.db2.gz LMQNIBFPWAYYOS-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001755705205 1440902305 /nfs/dbraw/zinc/90/23/05/1440902305.db2.gz VWOYSZXNTVJEFI-QUCCMNQESA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755712522 1440904048 /nfs/dbraw/zinc/90/40/48/1440904048.db2.gz MSVBOWSPKFDTKC-ZCNNSNEGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001755722815 1440908179 /nfs/dbraw/zinc/90/81/79/1440908179.db2.gz OSCZOTCMHHBPHC-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001755743879 1440912169 /nfs/dbraw/zinc/91/21/69/1440912169.db2.gz OURFPNVOQXLSLF-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001755763497 1440915591 /nfs/dbraw/zinc/91/55/91/1440915591.db2.gz SIZNDQWJMKOVCH-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C(C)(C)C1 ZINC001755765558 1440916077 /nfs/dbraw/zinc/91/60/77/1440916077.db2.gz RMAAPVKWALEJTI-OALUTQOASA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001755812522 1440921297 /nfs/dbraw/zinc/92/12/97/1440921297.db2.gz RTSJZFQYXHSJNN-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001755845465 1440933084 /nfs/dbraw/zinc/93/30/84/1440933084.db2.gz KYKAWUVZRMZSGG-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001755850242 1440934679 /nfs/dbraw/zinc/93/46/79/1440934679.db2.gz IBAWBQPEWPKQSF-HKUYNNGSSA-N 2 0 337.552 3.290 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001755858717 1440936197 /nfs/dbraw/zinc/93/61/97/1440936197.db2.gz ORGPEDSPGCAIKU-XIMCWOHTSA-N 2 0 335.536 3.042 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001755858715 1440936251 /nfs/dbraw/zinc/93/62/51/1440936251.db2.gz ORGPEDSPGCAIKU-RFEKHPBVSA-N 2 0 335.536 3.042 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001755861450 1440936690 /nfs/dbraw/zinc/93/66/90/1440936690.db2.gz VXRRTQWKAHYGOR-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001755860925 1440936719 /nfs/dbraw/zinc/93/67/19/1440936719.db2.gz AAPHGRJAIOYWDJ-YUKKFIBKSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC001755864117 1440937444 /nfs/dbraw/zinc/93/74/44/1440937444.db2.gz YRIQMNFFZHWKCV-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(F)c1 ZINC001755901049 1440944049 /nfs/dbraw/zinc/94/40/49/1440944049.db2.gz BZXVDDPFXVZTBU-CRAIPNDOSA-N 2 0 349.494 3.062 20 0 EGADRP Nc1cc[nH+]c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995129 722191253 /nfs/dbraw/zinc/19/12/53/722191253.db2.gz RXYQOCIIACAPTL-IBGZPJMESA-N 2 0 326.419 3.048 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584319 946827339 /nfs/dbraw/zinc/82/73/39/946827339.db2.gz ACDZFSXQPBAOPC-CVEARBPZSA-N 2 0 342.491 3.172 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000368578663 168376929 /nfs/dbraw/zinc/37/69/29/168376929.db2.gz OXAIVYFUGCCZIY-XUJQIHCRSA-N 2 0 338.442 3.037 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000158505322 529778525 /nfs/dbraw/zinc/77/85/25/529778525.db2.gz WSEGSBUDCJMNDJ-KRWDZBQOSA-N 2 0 342.512 3.062 20 0 EGADRP C[N@@H+](CCCc1cccc2ccccc21)CCCN1CC[NH+](C)CC1 ZINC000174717780 529896537 /nfs/dbraw/zinc/89/65/37/529896537.db2.gz SVUINNISJYNXNF-UHFFFAOYSA-N 2 0 339.527 3.342 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370624608 168520544 /nfs/dbraw/zinc/52/05/44/168520544.db2.gz NBQJIRBQFMQKCU-ZOCZFRKYSA-N 2 0 345.506 3.207 20 0 EGADRP C[C@H](C[NH2+]C1c2ccccc2-c2ccccc21)CN1CC[NH+](C)CC1 ZINC000183790602 235227885 /nfs/dbraw/zinc/22/78/85/235227885.db2.gz WUSHLXPRKUUCOO-QGZVFWFLSA-N 2 0 335.495 3.230 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132339336 223322201 /nfs/dbraw/zinc/32/22/01/223322201.db2.gz DCZNNTGPSIGHNH-APWZRJJASA-N 2 0 335.561 3.331 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237967214 242877443 /nfs/dbraw/zinc/87/74/43/242877443.db2.gz TVQSJCAZEMRWBR-IHPCNDPISA-N 2 0 341.499 3.184 20 0 EGADRP O=C(CCC1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000237969433 242877470 /nfs/dbraw/zinc/87/74/70/242877470.db2.gz LRFBSPYPYOAVHD-UHFFFAOYSA-N 2 0 329.488 3.043 20 0 EGADRP COc1cccc(NC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000378126969 169073596 /nfs/dbraw/zinc/07/35/96/169073596.db2.gz OIUVIHUIBOJHCQ-IBGZPJMESA-N 2 0 331.504 3.446 20 0 EGADRP [NH3+][C@@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000378197852 169083885 /nfs/dbraw/zinc/08/38/85/169083885.db2.gz DABRYKICCXXFFL-FQEVSTJZSA-N 2 0 343.515 3.237 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCOCc2ccccc2)[C@@H](C)C1 ZINC000268750418 252202185 /nfs/dbraw/zinc/20/21/85/252202185.db2.gz UVHSBDJHPDMANU-PZJWPPBQSA-N 2 0 348.531 3.320 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000268755764 252206149 /nfs/dbraw/zinc/20/61/49/252206149.db2.gz LPQMBZWPXBBFSD-HBGVWJBISA-N 2 0 342.458 3.359 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268804059 252257275 /nfs/dbraw/zinc/25/72/75/252257275.db2.gz IGNAKQHISKVDHJ-BEFAXECRSA-N 2 0 342.487 3.089 20 0 EGADRP C[C@H](C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000116993728 221020366 /nfs/dbraw/zinc/02/03/66/221020366.db2.gz WNIRGFGGNGLDOO-AABGKKOBSA-N 2 0 329.532 3.281 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C)(COC)CC2)CC1 ZINC000354748928 285339185 /nfs/dbraw/zinc/33/91/85/285339185.db2.gz LSWOPCOAFWJCBT-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181418804 533380756 /nfs/dbraw/zinc/38/07/56/533380756.db2.gz NTIMEVVUPCCFBU-CQSZACIVSA-N 2 0 335.879 3.374 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CCOC1 ZINC000164494660 533459826 /nfs/dbraw/zinc/45/98/26/533459826.db2.gz SOGUKHRWHSKDFA-APWZRJJASA-N 2 0 328.456 3.426 20 0 EGADRP COc1cccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000158628729 533517148 /nfs/dbraw/zinc/51/71/48/533517148.db2.gz LPXISEAIYGSXKK-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@H]1CCC[C@](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)(N(C)C)C1 ZINC000298257534 132388062 /nfs/dbraw/zinc/38/80/62/132388062.db2.gz FEMFSMOYFAKSAX-PXNSSMCTSA-N 2 0 330.520 3.151 20 0 EGADRP c1ccc2c(c1)CCN2CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298342166 132390309 /nfs/dbraw/zinc/39/03/09/132390309.db2.gz JJKILIYUCKKXIY-UHFFFAOYSA-N 2 0 336.483 3.093 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237557678 141007573 /nfs/dbraw/zinc/00/75/73/141007573.db2.gz NODCHSRCACGPEV-IYWMVGAKSA-N 2 0 349.563 3.125 20 0 EGADRP CCOC(=O)C1CCC([N@H+](CC)CCCCn2ccnc2C)CC1 ZINC000338364664 141108415 /nfs/dbraw/zinc/10/84/15/141108415.db2.gz CLJJNPLDJZOETQ-UHFFFAOYSA-N 2 0 335.492 3.416 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342810260 141149664 /nfs/dbraw/zinc/14/96/64/141149664.db2.gz PYWFEZLRLGWVNV-OXJNMPFZSA-N 2 0 349.482 3.001 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1(C)C ZINC000342809071 141149706 /nfs/dbraw/zinc/14/97/06/141149706.db2.gz GTQPZRZRYHICCC-PMACEKPBSA-N 2 0 346.515 3.453 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352964168 141278515 /nfs/dbraw/zinc/27/85/15/141278515.db2.gz RUMUHKPFYIRSBD-KLAILNCOSA-N 2 0 335.923 3.202 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000353444865 141297027 /nfs/dbraw/zinc/29/70/27/141297027.db2.gz IJWGLVFXYYKDHF-UXHICEINSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806389 549334983 /nfs/dbraw/zinc/33/49/83/549334983.db2.gz ZBGVMYZFMGSLFM-QUCCMNQESA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000185239173 144108209 /nfs/dbraw/zinc/10/82/09/144108209.db2.gz UEMUEODOYSPIQE-RTBURBONSA-N 2 0 331.504 3.480 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000344812729 144226634 /nfs/dbraw/zinc/22/66/34/144226634.db2.gz XCXAYCVZCCVANX-IAGOWNOFSA-N 2 0 331.504 3.017 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]12 ZINC000351486810 144267755 /nfs/dbraw/zinc/26/77/55/144267755.db2.gz BFXYNNZJLISJJD-KZNAEPCWSA-N 2 0 332.451 3.170 20 0 EGADRP C[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)Oc1ccccc1F ZINC000361725860 144355683 /nfs/dbraw/zinc/35/56/83/144355683.db2.gz HTXDONXFIBVRAX-MRXNPFEDSA-N 2 0 343.446 3.242 20 0 EGADRP [NH3+]CCCCCCC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000375508968 144602220 /nfs/dbraw/zinc/60/22/20/144602220.db2.gz AYIXAEHKGBQPJG-UXHICEINSA-N 2 0 345.531 3.094 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118770047 152152531 /nfs/dbraw/zinc/15/25/31/152152531.db2.gz MUGYGDMMAYUFIT-OAHLLOKOSA-N 2 0 343.471 3.099 20 0 EGADRP CN(Cc1ccccc1)C(=O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000119073556 152170374 /nfs/dbraw/zinc/17/03/74/152170374.db2.gz SAUBLTZADQTOPH-UHFFFAOYSA-N 2 0 343.515 3.032 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3C[C@@H](C)N(C4CC4)C3)cc2)n1 ZINC000119303601 152193094 /nfs/dbraw/zinc/19/30/94/152193094.db2.gz YTCLIEOVXWAUSF-PBHICJAKSA-N 2 0 340.471 3.056 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192752375 153257738 /nfs/dbraw/zinc/25/77/38/153257738.db2.gz YGGVFXDQXLHPIK-VCSGRIEYSA-N 2 0 338.499 3.328 20 0 EGADRP CCO[C@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000193431782 153291359 /nfs/dbraw/zinc/29/13/59/153291359.db2.gz CWVLAOPQYLXCSP-OAQYLSRUSA-N 2 0 339.483 3.413 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CCSCC1 ZINC000249962393 153631311 /nfs/dbraw/zinc/63/13/11/153631311.db2.gz JUOJHTHGVKKPNY-UZLBHIALSA-N 2 0 348.556 3.265 20 0 EGADRP Cc1ncsc1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310456939 154141849 /nfs/dbraw/zinc/14/18/49/154141849.db2.gz ZLIQBYPERXVPBU-OALUTQOASA-N 2 0 341.524 3.448 20 0 EGADRP Cc1ncsc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310456937 154142636 /nfs/dbraw/zinc/14/26/36/154142636.db2.gz ZLIQBYPERXVPBU-MOPGFXCFSA-N 2 0 341.524 3.448 20 0 EGADRP c1nn2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000311798653 154148581 /nfs/dbraw/zinc/14/85/81/154148581.db2.gz KDCRMETWAXFZRJ-CEWLAPEOSA-N 2 0 346.478 3.335 20 0 EGADRP COc1cc(C)c(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1OC ZINC000336724300 154212417 /nfs/dbraw/zinc/21/24/17/154212417.db2.gz MIHAGMFYAAMUET-UHFFFAOYSA-N 2 0 328.456 3.363 20 0 EGADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCOCC[NH+](C)C ZINC000337305843 154272440 /nfs/dbraw/zinc/27/24/40/154272440.db2.gz ROIIMSGDXWSRBT-WYMLVPIESA-N 2 0 330.394 3.277 20 0 EGADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc(F)c1 ZINC000337337409 154291988 /nfs/dbraw/zinc/29/19/88/154291988.db2.gz OPAVAMFJMPKWEY-UHFFFAOYSA-N 2 0 335.511 3.452 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000337361394 154307187 /nfs/dbraw/zinc/30/71/87/154307187.db2.gz GEXXXKYXPUCNQV-FQEVSTJZSA-N 2 0 329.532 3.317 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000337383569 154324820 /nfs/dbraw/zinc/32/48/20/154324820.db2.gz KAIHGIXQFZQITH-JQHSSLGASA-N 2 0 332.488 3.160 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C[C@@H](C)O1 ZINC000346851039 156164843 /nfs/dbraw/zinc/16/48/43/156164843.db2.gz QGDDGLSPAIODDP-HLIPFELVSA-N 2 0 328.500 3.148 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107368674 162065900 /nfs/dbraw/zinc/06/59/00/162065900.db2.gz ZTBWWFSFKSCSPU-HXUWFJFHSA-N 2 0 329.532 3.196 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000248459419 163006454 /nfs/dbraw/zinc/00/64/54/163006454.db2.gz VQYBYGLOHBPJQD-YADHBBJMSA-N 2 0 336.479 3.494 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(OC)cn2)CC1)CC1CC1 ZINC000338278741 163205163 /nfs/dbraw/zinc/20/51/63/163205163.db2.gz HPAVSQFXUMKOAZ-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000268951445 287019343 /nfs/dbraw/zinc/01/93/43/287019343.db2.gz CKPWDBKGMRJDRV-GFCCVEGCSA-N 2 0 330.444 3.109 20 0 EGADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343921745 164066787 /nfs/dbraw/zinc/06/67/87/164066787.db2.gz DTVKAFUICPBOQS-LJQANCHMSA-N 2 0 325.456 3.108 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000343970474 164074729 /nfs/dbraw/zinc/07/47/29/164074729.db2.gz CJVHEGKMAYZSGS-VDGAXYAQSA-N 2 0 339.483 3.304 20 0 EGADRP C[C@H](CCc1ccsc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000344011470 164082378 /nfs/dbraw/zinc/08/23/78/164082378.db2.gz DKBWFPXDLHCXTR-OAHLLOKOSA-N 2 0 333.501 3.194 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cn4c(n3)SCC4)CC2)C1 ZINC000344118142 164107377 /nfs/dbraw/zinc/10/73/77/164107377.db2.gz AYHLBJTYBPFCMP-CRAIPNDOSA-N 2 0 348.560 3.164 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1 ZINC000344421151 164175382 /nfs/dbraw/zinc/17/53/82/164175382.db2.gz HANIZBVCCOSARV-QZTJIDSGSA-N 2 0 345.531 3.473 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@H](C)C1 ZINC000344532573 164187466 /nfs/dbraw/zinc/18/74/66/164187466.db2.gz GBXKUJIHNYOZIC-DYESRHJHSA-N 2 0 339.483 3.481 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151845224 287048373 /nfs/dbraw/zinc/04/83/73/287048373.db2.gz KEZPOZQBFQELEC-ZWKOTPCHSA-N 2 0 333.520 3.152 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC000345992276 164312136 /nfs/dbraw/zinc/31/21/36/164312136.db2.gz NMLFQLRATIIHTL-FXAWDEMLSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000346184399 164359205 /nfs/dbraw/zinc/35/92/05/164359205.db2.gz TXEHKNWAZFSZPK-LJQANCHMSA-N 2 0 333.439 3.262 20 0 EGADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000347575618 164524093 /nfs/dbraw/zinc/52/40/93/164524093.db2.gz XKBUYBAPTJHXCT-HXUWFJFHSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000183225982 287073168 /nfs/dbraw/zinc/07/31/68/287073168.db2.gz URLSOGZTTCPJAD-TTYHFUOFSA-N 2 0 344.499 3.235 20 0 EGADRP CN1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000352091011 165230464 /nfs/dbraw/zinc/23/04/64/165230464.db2.gz CPKXCLQCWBNEHF-NQIIRXRSSA-N 2 0 338.451 3.035 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000352178398 165270188 /nfs/dbraw/zinc/27/01/88/165270188.db2.gz MPQSTPAASWOCRG-IAGOWNOFSA-N 2 0 335.492 3.008 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353314570 165725566 /nfs/dbraw/zinc/72/55/66/165725566.db2.gz MYJCBGUHMHIITI-VQIMIIECSA-N 2 0 334.504 3.364 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000355413348 166190305 /nfs/dbraw/zinc/19/03/05/166190305.db2.gz QSICGRDCTURYDN-CALCHBBNSA-N 2 0 329.488 3.484 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000355413693 166190719 /nfs/dbraw/zinc/19/07/19/166190719.db2.gz GADGNHMGWRRIME-IAGOWNOFSA-N 2 0 348.535 3.145 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000355742121 166293831 /nfs/dbraw/zinc/29/38/31/166293831.db2.gz SMFXHYJXJPYSGV-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP CC[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000355791177 166311015 /nfs/dbraw/zinc/31/10/15/166311015.db2.gz IBXBBEZBIMGUFN-AZUAARDMSA-N 2 0 345.531 3.278 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1)CC1CC1 ZINC000355905034 166343656 /nfs/dbraw/zinc/34/36/56/166343656.db2.gz YPUWRHPGLHHHIT-UHFFFAOYSA-N 2 0 349.544 3.181 20 0 EGADRP COC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000359724700 167214832 /nfs/dbraw/zinc/21/48/32/167214832.db2.gz UGQWZLSJBHJTPO-UHFFFAOYSA-N 2 0 332.488 3.210 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCCC1 ZINC000359740577 167220377 /nfs/dbraw/zinc/22/03/77/167220377.db2.gz UMFMGWRYDOSNSC-UHFFFAOYSA-N 2 0 346.515 3.082 20 0 EGADRP CCN(CC)C(=O)CCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000359862909 167252810 /nfs/dbraw/zinc/25/28/10/167252810.db2.gz RNVOCVLDOZDMMO-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000360250236 167282018 /nfs/dbraw/zinc/28/20/18/167282018.db2.gz OHSQGAMJGJDUHZ-CZUORRHYSA-N 2 0 331.287 3.491 20 0 EGADRP Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(C[NH+](C)C)CC3)o2)c1 ZINC000360403613 167321723 /nfs/dbraw/zinc/32/17/23/167321723.db2.gz ZEGMJSANVNGSLW-OAHLLOKOSA-N 2 0 328.460 3.380 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552317 167356032 /nfs/dbraw/zinc/35/60/32/167356032.db2.gz NTIKMTATAXJRJN-VGSWGCGISA-N 2 0 349.478 3.366 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000360587948 167364183 /nfs/dbraw/zinc/36/41/83/167364183.db2.gz FXERJOXERPRTHP-PXNSSMCTSA-N 2 0 334.504 3.058 20 0 EGADRP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000366246342 168097741 /nfs/dbraw/zinc/09/77/41/168097741.db2.gz DSLTXYMWXMLUKD-QGZVFWFLSA-N 2 0 335.455 3.294 20 0 EGADRP Cc1ccncc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366451456 168122752 /nfs/dbraw/zinc/12/27/52/168122752.db2.gz SFHSPLZJEKIQII-UHFFFAOYSA-N 2 0 344.547 3.018 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367210909 168194144 /nfs/dbraw/zinc/19/41/44/168194144.db2.gz IGKRGAUUPNCVFL-XYPWUTKMSA-N 2 0 347.528 3.294 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nccn4C)C3)s2)cn1 ZINC000367348357 168212073 /nfs/dbraw/zinc/21/20/73/168212073.db2.gz HXLUZHOMVPESBK-CQSZACIVSA-N 2 0 341.484 3.262 20 0 EGADRP COCCn1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000367423858 168223576 /nfs/dbraw/zinc/22/35/76/168223576.db2.gz XTRWEZYRQJOHJC-SFHVURJKSA-N 2 0 348.535 3.006 20 0 EGADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000367552066 168240678 /nfs/dbraw/zinc/24/06/78/168240678.db2.gz MMVSJZZGSCBFME-MLBCHFTJSA-N 2 0 342.527 3.285 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000358614052 287288073 /nfs/dbraw/zinc/28/80/73/287288073.db2.gz ZYLKAQDEPKJIEZ-UZLBHIALSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(C)s1 ZINC000158441067 225016051 /nfs/dbraw/zinc/01/60/51/225016051.db2.gz KPYKSYACEFLNNK-OAHLLOKOSA-N 2 0 344.528 3.363 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000159116428 225149686 /nfs/dbraw/zinc/14/96/86/225149686.db2.gz IXTDVAIOCWHJAC-AWEZNQCLSA-N 2 0 342.430 3.440 20 0 EGADRP Cc1ccsc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159160277 225160850 /nfs/dbraw/zinc/16/08/50/225160850.db2.gz RBTNPNAXWFPKOP-HNNXBMFYSA-N 2 0 330.501 3.054 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000159216877 225173136 /nfs/dbraw/zinc/17/31/36/225173136.db2.gz ZQDUANISRKBBOD-NRFANRHFSA-N 2 0 330.516 3.407 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000123971961 222359766 /nfs/dbraw/zinc/35/97/66/222359766.db2.gz PVZDBKYZZDFCEO-INIZCTEOSA-N 2 0 339.936 3.104 20 0 EGADRP c1ccc(SCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173954905 265014106 /nfs/dbraw/zinc/01/41/06/265014106.db2.gz FAYGCAMNYDVQLM-UHFFFAOYSA-N 2 0 334.529 3.356 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(Br)c2)CN1C1CC1 ZINC000177927394 265287443 /nfs/dbraw/zinc/28/74/43/265287443.db2.gz NPCNSSNMAAMYAS-OCCSQVGLSA-N 2 0 339.277 3.043 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H](C)C2 ZINC000180452995 265403213 /nfs/dbraw/zinc/40/32/13/265403213.db2.gz BYBHXMKKGJCCTM-LAUBAEHRSA-N 2 0 329.532 3.092 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(OCC3CC3)cc2)C[C@H](C)O1 ZINC000190893346 265868112 /nfs/dbraw/zinc/86/81/12/265868112.db2.gz XGGNYVHELZHYDM-ROUUACIJSA-N 2 0 346.515 3.454 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000195132898 266162730 /nfs/dbraw/zinc/16/27/30/266162730.db2.gz AVDVWEZQTJFJOV-XUVXKRRUSA-N 2 0 328.500 3.446 20 0 EGADRP [NH3+]C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000237840607 266246756 /nfs/dbraw/zinc/24/67/56/266246756.db2.gz IZHKQTVWOWAJCX-FQEVSTJZSA-N 2 0 337.467 3.354 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000266148262 266273762 /nfs/dbraw/zinc/27/37/62/266273762.db2.gz MWRBJCCSRUSKSA-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000271880904 266742551 /nfs/dbraw/zinc/74/25/51/266742551.db2.gz PHOQXZDDATXFPX-VQIMIIECSA-N 2 0 334.504 3.075 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1C ZINC000272581170 266874458 /nfs/dbraw/zinc/87/44/58/266874458.db2.gz QNAKVNGPZDOURL-INIZCTEOSA-N 2 0 331.504 3.342 20 0 EGADRP Cc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000274474949 267244291 /nfs/dbraw/zinc/24/42/91/267244291.db2.gz NCHTZDIUUDTQMS-AWEZNQCLSA-N 2 0 330.451 3.120 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000274802233 267288743 /nfs/dbraw/zinc/28/87/43/267288743.db2.gz NFFGNIAFAMWWRD-MRXNPFEDSA-N 2 0 331.504 3.430 20 0 EGADRP C[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000275638474 267395429 /nfs/dbraw/zinc/39/54/29/267395429.db2.gz LJOVPJRIWLMDMQ-QGZVFWFLSA-N 2 0 346.519 3.033 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000278460672 268018315 /nfs/dbraw/zinc/01/83/15/268018315.db2.gz MPWHIICIGPMTPU-MRXNPFEDSA-N 2 0 341.499 3.338 20 0 EGADRP Cc1nc(F)ccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000278487585 268024123 /nfs/dbraw/zinc/02/41/23/268024123.db2.gz STPLJRMLPCOILU-HOTGVXAUSA-N 2 0 349.494 3.240 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000229506528 274476632 /nfs/dbraw/zinc/47/66/32/274476632.db2.gz HFTSGUHPHRAWNE-MRVPVSSYSA-N 2 0 325.172 3.295 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000237859344 275231885 /nfs/dbraw/zinc/23/18/85/275231885.db2.gz DLHHIHISIKVQGA-RBUKOAKNSA-N 2 0 335.536 3.197 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279221797 275313803 /nfs/dbraw/zinc/31/38/03/275313803.db2.gz CWQNQIUXBLACOB-SFTDATJTSA-N 2 0 326.484 3.159 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756012 275356705 /nfs/dbraw/zinc/35/67/05/275356705.db2.gz QWQRBXGWLRUVCB-WIYYLYMNSA-N 2 0 326.484 3.017 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000279818672 275362612 /nfs/dbraw/zinc/36/26/12/275362612.db2.gz XZXBXYRHDYQDTD-OSZJIOELSA-N 2 0 338.495 3.466 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C[NH+]1CCCCC1 ZINC000279866345 275367532 /nfs/dbraw/zinc/36/75/32/275367532.db2.gz JGZCPSRDACHTQJ-OAHLLOKOSA-N 2 0 347.894 3.132 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354666716 275665528 /nfs/dbraw/zinc/66/55/28/275665528.db2.gz SVTBCGQZSWNFEN-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+](C)C ZINC000112673512 275695075 /nfs/dbraw/zinc/69/50/75/275695075.db2.gz OBQUAHMKVHOSSC-HXUWFJFHSA-N 2 0 345.531 3.265 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000262710836 276051372 /nfs/dbraw/zinc/05/13/72/276051372.db2.gz QHCPRYITSRONFC-UZLBHIALSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000286871827 276052329 /nfs/dbraw/zinc/05/23/29/276052329.db2.gz BVWFPIMIFINUIA-YUXAGFNASA-N 2 0 338.495 3.233 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000354081737 276100359 /nfs/dbraw/zinc/10/03/59/276100359.db2.gz GWIZIEBVDAYEOZ-GOSISDBHSA-N 2 0 346.471 3.374 20 0 EGADRP Cc1nc2ccccc2n1CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287764493 276155092 /nfs/dbraw/zinc/15/50/92/276155092.db2.gz RDLYYPZCFLACSZ-SWLSCSKDSA-N 2 0 327.350 3.044 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287839853 276162148 /nfs/dbraw/zinc/16/21/48/276162148.db2.gz WCVBUXDHWJITAD-MRXNPFEDSA-N 2 0 339.487 3.325 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC000351762433 276202755 /nfs/dbraw/zinc/20/27/55/276202755.db2.gz YWORUFUGIORGGK-HUUCEWRRSA-N 2 0 325.447 3.366 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347516911 276207352 /nfs/dbraw/zinc/20/73/52/276207352.db2.gz HERGSMXIEWEBGV-IXDOHACOSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000342674436 276334846 /nfs/dbraw/zinc/33/48/46/276334846.db2.gz HKEAWHARICPBBW-CALCHBBNSA-N 2 0 331.504 3.017 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000290288722 276475461 /nfs/dbraw/zinc/47/54/61/276475461.db2.gz MQRVBZYJMPNCPH-WMZOPIPTSA-N 2 0 337.483 3.420 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)[NH+]1CCCCC1 ZINC000292004907 276719793 /nfs/dbraw/zinc/71/97/93/276719793.db2.gz BAZVOLNEWRDLAC-SJORKVTESA-N 2 0 331.504 3.304 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292130619 276738271 /nfs/dbraw/zinc/73/82/71/276738271.db2.gz RJIJAGIQMOACDX-KRWDZBQOSA-N 2 0 347.528 3.015 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cc(Cl)ccc43)C2)CC1 ZINC000370638706 277028370 /nfs/dbraw/zinc/02/83/70/277028370.db2.gz YRPCUBJARXVOTB-APWZRJJASA-N 2 0 333.907 3.085 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)c4ccccc43)C2)CC1 ZINC000370634374 277028601 /nfs/dbraw/zinc/02/86/01/277028601.db2.gz LJFLMBYRQOCXMM-OXJNMPFZSA-N 2 0 327.516 3.167 20 0 EGADRP COc1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc(OC)c1OC ZINC000261607927 277819261 /nfs/dbraw/zinc/81/92/61/277819261.db2.gz DCRHIQXSGGYKLC-ZBFHGGJFSA-N 2 0 336.476 3.113 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccnc1Cl ZINC000178035954 278257226 /nfs/dbraw/zinc/25/72/26/278257226.db2.gz NMVVJQNVECMMBQ-KFWWJZLASA-N 2 0 325.884 3.275 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCCS2)CC1 ZINC000344324927 279375602 /nfs/dbraw/zinc/37/56/02/279375602.db2.gz LHQZUBCUGQQQMJ-SFHVURJKSA-N 2 0 333.545 3.204 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370704662 281351574 /nfs/dbraw/zinc/35/15/74/281351574.db2.gz ALMKGNYSZBYPQO-KRWDZBQOSA-N 2 0 329.488 3.130 20 0 EGADRP COc1cccc([C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)[NH+](C)C)c1 ZINC000261701829 295325969 /nfs/dbraw/zinc/32/59/69/295325969.db2.gz OTOFFZBCPOZQKD-AABGKKOBSA-N 2 0 325.456 3.032 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000122489560 307530132 /nfs/dbraw/zinc/53/01/32/307530132.db2.gz TXDVEBYRNSBNFL-LJQANCHMSA-N 2 0 331.548 3.216 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1C[C@@H]1C ZINC000414093584 309060651 /nfs/dbraw/zinc/06/06/51/309060651.db2.gz MJWRATHECIKCTN-VDGAXYAQSA-N 2 0 343.515 3.036 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000414176111 309064923 /nfs/dbraw/zinc/06/49/23/309064923.db2.gz HZJFPYKDSNLTKL-UKRRQHHQSA-N 2 0 325.522 3.023 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCc2ccccc2)CC1 ZINC000153939176 307784393 /nfs/dbraw/zinc/78/43/93/307784393.db2.gz LMEZGCQXAHYWDP-PMACEKPBSA-N 2 0 329.532 3.110 20 0 EGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCCO2 ZINC000154419914 307794378 /nfs/dbraw/zinc/79/43/78/307794378.db2.gz CIIXKCYCZCSTDF-FQEVSTJZSA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000155665344 307818459 /nfs/dbraw/zinc/81/84/59/307818459.db2.gz DLGMGAIRUZPYAW-RBUKOAKNSA-N 2 0 347.547 3.398 20 0 EGADRP COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000414308467 309072015 /nfs/dbraw/zinc/07/20/15/309072015.db2.gz QHTIIYICFRUHGV-OJAHFUOMSA-N 2 0 328.500 3.444 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000248392471 308001828 /nfs/dbraw/zinc/00/18/28/308001828.db2.gz DDTGGCNYURTGLR-FKBYEOEOSA-N 2 0 341.543 3.363 20 0 EGADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248417570 308002611 /nfs/dbraw/zinc/00/26/11/308002611.db2.gz RLGQUNKLPLUCRX-MTQWCTHYSA-N 2 0 330.516 3.284 20 0 EGADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249762002 308027967 /nfs/dbraw/zinc/02/79/67/308027967.db2.gz NVNXJICGDQONFK-KSZLIROESA-N 2 0 345.531 3.454 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292896377 308077585 /nfs/dbraw/zinc/07/75/85/308077585.db2.gz DFRNKSHKHIHHMR-INIZCTEOSA-N 2 0 339.483 3.301 20 0 EGADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293577503 308143430 /nfs/dbraw/zinc/14/34/30/308143430.db2.gz BTKJEBNBAVTNBH-KRWDZBQOSA-N 2 0 348.487 3.155 20 0 EGADRP COc1ccc(CC[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)c1OC ZINC000293683949 308152452 /nfs/dbraw/zinc/15/24/52/308152452.db2.gz KNPCISBXGKHHSK-UHFFFAOYSA-N 2 0 340.895 3.362 20 0 EGADRP C[NH+](C)Cc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000414493539 309084277 /nfs/dbraw/zinc/08/42/77/309084277.db2.gz CDVPGAVZUYEHBS-UHFFFAOYSA-N 2 0 342.462 3.359 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293771094 308160398 /nfs/dbraw/zinc/16/03/98/308160398.db2.gz PPNXXFSEZCYYOY-FQEVSTJZSA-N 2 0 349.950 3.278 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000293919307 308173992 /nfs/dbraw/zinc/17/39/92/308173992.db2.gz PGQJFEAUDZFNDA-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP c1cn(-c2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000294256279 308204275 /nfs/dbraw/zinc/20/42/75/308204275.db2.gz QJOJCVRKRPBNDZ-UHFFFAOYSA-N 2 0 333.439 3.026 20 0 EGADRP Cc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1F ZINC000294673685 308244701 /nfs/dbraw/zinc/24/47/01/308244701.db2.gz CSQGWWFOKRTHKL-UHFFFAOYSA-N 2 0 333.495 3.125 20 0 EGADRP CCC[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000295082683 308289267 /nfs/dbraw/zinc/28/92/67/308289267.db2.gz IKWADRPIQIUMAP-IBGZPJMESA-N 2 0 333.520 3.122 20 0 EGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414656808 309093992 /nfs/dbraw/zinc/09/39/92/309093992.db2.gz GEUWWBKACLSKRG-CVEARBPZSA-N 2 0 339.487 3.229 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OCc1ccccc1 ZINC000414658862 309094160 /nfs/dbraw/zinc/09/41/60/309094160.db2.gz KGJMXFZOCJQQBU-APWZRJJASA-N 2 0 340.467 3.443 20 0 EGADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1C(F)(F)F ZINC000414661943 309094351 /nfs/dbraw/zinc/09/43/51/309094351.db2.gz PFOPQDAWDVVCQS-UHFFFAOYSA-N 2 0 330.394 3.344 20 0 EGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000414664515 309094375 /nfs/dbraw/zinc/09/43/75/309094375.db2.gz TZGHQOUXIUHMEW-OAHLLOKOSA-N 2 0 348.443 3.033 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771661 309099975 /nfs/dbraw/zinc/09/99/75/309099975.db2.gz AFAVZNUCKBBYKV-JKSUJKDBSA-N 2 0 328.435 3.037 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744344 309098414 /nfs/dbraw/zinc/09/84/14/309098414.db2.gz PLXMVWAJRXBMCQ-CEMLEFRQSA-N 3 0 341.543 3.363 20 0 EGADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)OCCc2sccc21 ZINC000297549094 308544634 /nfs/dbraw/zinc/54/46/34/308544634.db2.gz ZITBAFWQXHOEFM-LJQANCHMSA-N 2 0 343.496 3.190 20 0 EGADRP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772234 309099915 /nfs/dbraw/zinc/09/99/15/309099915.db2.gz BMBPRWKBDIEHEN-HOTGVXAUSA-N 2 0 328.485 3.027 20 0 EGADRP [NH3+]C[C@@H]1CN(Cc2ccc(F)c(Cl)c2Cl)CC12CCOCC2 ZINC000414781539 309100627 /nfs/dbraw/zinc/10/06/27/309100627.db2.gz NEIPQUPHMRVMMA-GFCCVEGCSA-N 2 0 347.261 3.320 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000414783880 309100966 /nfs/dbraw/zinc/10/09/66/309100966.db2.gz HQIYEGJVUANDDK-MJGOQNOKSA-N 2 0 345.874 3.216 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000414786197 309101112 /nfs/dbraw/zinc/10/11/12/309101112.db2.gz UGUXJOMKCXJIKJ-ZWKOTPCHSA-N 2 0 338.499 3.217 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000414786602 309101150 /nfs/dbraw/zinc/10/11/50/309101150.db2.gz KRZUQERRZFWPKO-RTWAWAEBSA-N 2 0 344.499 3.336 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414788134 309101403 /nfs/dbraw/zinc/10/14/03/309101403.db2.gz WIBINTIQPVTFIF-RYQLBKOJSA-N 2 0 334.479 3.334 20 0 EGADRP Cc1ccc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000298345315 308605339 /nfs/dbraw/zinc/60/53/39/308605339.db2.gz JNISWJLWMBPGBX-OAQYLSRUSA-N 2 0 338.499 3.251 20 0 EGADRP CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414796925 309102132 /nfs/dbraw/zinc/10/21/32/309102132.db2.gz YCUORCAJORCBFF-OAHLLOKOSA-N 2 0 328.456 3.183 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414810978 309102975 /nfs/dbraw/zinc/10/29/75/309102975.db2.gz VTRXSAVBGOXQHZ-MJGOQNOKSA-N 2 0 325.456 3.364 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775224 309100088 /nfs/dbraw/zinc/10/00/88/309100088.db2.gz GHMGZVALZGPIGI-LSDHHAIUSA-N 2 0 328.435 3.037 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OCc1ccccc1 ZINC000414829994 309104184 /nfs/dbraw/zinc/10/41/84/309104184.db2.gz LKXPODCXBZXRCD-KRWDZBQOSA-N 2 0 340.467 3.363 20 0 EGADRP FC(F)Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414833101 309104396 /nfs/dbraw/zinc/10/43/96/309104396.db2.gz PDQCWYDLXTXXSE-SNVBAGLBSA-N 2 0 349.219 3.140 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301513269 308703300 /nfs/dbraw/zinc/70/33/00/308703300.db2.gz GGQDEHYZPCHMSK-IAGOWNOFSA-N 2 0 339.524 3.285 20 0 EGADRP Cn1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)nc2cc(C(F)(F)F)ccc21 ZINC000414847327 309105314 /nfs/dbraw/zinc/10/53/14/309105314.db2.gz IYNHHSFEXOKOQB-GFCCVEGCSA-N 2 0 340.393 3.071 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000356892379 308890582 /nfs/dbraw/zinc/89/05/82/308890582.db2.gz JHNHRIZKLGUYKU-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP COCCOC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411269729 308933128 /nfs/dbraw/zinc/93/31/28/308933128.db2.gz CAVRSCCLRYKCAC-UHFFFAOYSA-N 2 0 346.515 3.300 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414848742 309105386 /nfs/dbraw/zinc/10/53/86/309105386.db2.gz XEASOSYTMSCEOK-MRXNPFEDSA-N 2 0 335.923 3.284 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414854537 309105742 /nfs/dbraw/zinc/10/57/42/309105742.db2.gz VDMJMTPEISMTFP-OAHLLOKOSA-N 2 0 327.476 3.005 20 0 EGADRP Cc1cc(Br)cc(C[NH2+]C[C@@H](C)C[NH3+])c1OC(F)F ZINC000414886585 309107342 /nfs/dbraw/zinc/10/73/42/309107342.db2.gz YKVKRWGNBWAYAA-QMMMGPOBSA-N 2 0 337.208 3.043 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(Cl)c1 ZINC000414897998 309108050 /nfs/dbraw/zinc/10/80/50/309108050.db2.gz APDCJLSLWFJYIB-KDOFPFPSSA-N 2 0 337.895 3.345 20 0 EGADRP CC1(C)CCC[NH2+][C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000414921119 309109539 /nfs/dbraw/zinc/10/95/39/309109539.db2.gz ATLCEJMBSKRSNX-HXUWFJFHSA-N 2 0 329.532 3.061 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000414932879 309110057 /nfs/dbraw/zinc/11/00/57/309110057.db2.gz WCRXKAHYPIDKJR-NEPJUHHUSA-N 2 0 349.219 3.410 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946694 309110723 /nfs/dbraw/zinc/11/07/23/309110723.db2.gz JUQUQHBYBVJDBS-MDZLAQPJSA-N 2 0 329.257 3.249 20 0 EGADRP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414971162 309112168 /nfs/dbraw/zinc/11/21/68/309112168.db2.gz HQTOJVXWVIHLED-FQEVSTJZSA-N 2 0 346.519 3.210 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414974660 309112428 /nfs/dbraw/zinc/11/24/28/309112428.db2.gz NULFNWYSDWAMFY-LJQANCHMSA-N 2 0 326.488 3.170 20 0 EGADRP COc1ccc(Br)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414976823 309112536 /nfs/dbraw/zinc/11/25/36/309112536.db2.gz QKFVUHYIYFDBIK-CYBMUJFWSA-N 2 0 327.266 3.080 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414992556 309113099 /nfs/dbraw/zinc/11/30/99/309113099.db2.gz KRPGHKIGURNAJX-UXHICEINSA-N 2 0 340.515 3.464 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000414993650 309113140 /nfs/dbraw/zinc/11/31/40/309113140.db2.gz LPCRZRIWYLSJEE-TZMCWYRMSA-N 2 0 328.403 3.294 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002360 309113583 /nfs/dbraw/zinc/11/35/83/309113583.db2.gz MDCLKCICOOVTSZ-XRULBBBTSA-N 2 0 347.522 3.419 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000415014311 309114442 /nfs/dbraw/zinc/11/44/42/309114442.db2.gz WOPQMHKPHQSVIH-DZGCQCFKSA-N 2 0 327.241 3.066 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])cc(Br)c1OC ZINC000415019052 309114698 /nfs/dbraw/zinc/11/46/98/309114698.db2.gz VLXSCTZMBGLGDX-NSHDSACASA-N 2 0 345.281 3.073 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415025275 309115030 /nfs/dbraw/zinc/11/50/30/309115030.db2.gz PLOJOOHDPPZSLR-IYARVYRRSA-N 2 0 326.488 3.344 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000415042524 309116115 /nfs/dbraw/zinc/11/61/15/309116115.db2.gz QZNXHZBMZQHTQO-KOLCDFICSA-N 2 0 349.219 3.268 20 0 EGADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000415084167 309119233 /nfs/dbraw/zinc/11/92/33/309119233.db2.gz OHJQAHWWRKPRKC-PKSQDBQZSA-N 2 0 329.257 3.379 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1-n1ccnc1 ZINC000415087447 309119364 /nfs/dbraw/zinc/11/93/64/309119364.db2.gz UODSDJFAYIYRPK-RYQLBKOJSA-N 2 0 328.435 3.022 20 0 EGADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415090223 309119519 /nfs/dbraw/zinc/11/95/19/309119519.db2.gz XRFHPJHVKBHGFQ-XUVXKRRUSA-N 2 0 342.531 3.472 20 0 EGADRP Cc1cccc(N2CCC([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)n1 ZINC000415091214 309119687 /nfs/dbraw/zinc/11/96/87/309119687.db2.gz PYPALFUVBSSTSJ-MJGOQNOKSA-N 2 0 330.520 3.259 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415115265 309121233 /nfs/dbraw/zinc/12/12/33/309121233.db2.gz GTZMEHZOBLUVJN-MJBXVCDLSA-N 2 0 325.294 3.358 20 0 EGADRP Clc1cc(Cl)cc(CN2CCC([NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC000415117757 309121427 /nfs/dbraw/zinc/12/14/27/309121427.db2.gz JCNHSBNCHDBNGI-UHFFFAOYSA-N 2 0 342.314 3.299 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Cl)c3F)CC2)C1 ZINC000415127801 309122424 /nfs/dbraw/zinc/12/24/24/309122424.db2.gz RKMXUPOYQRFACO-ZBFHGGJFSA-N 2 0 326.843 3.197 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000415906750 309147497 /nfs/dbraw/zinc/14/74/97/309147497.db2.gz LQILSMXCUJQNPW-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415956451 309151130 /nfs/dbraw/zinc/15/11/30/309151130.db2.gz LFKMGTQQZPRMGI-UHFFFAOYSA-N 2 0 332.492 3.312 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415960744 309151285 /nfs/dbraw/zinc/15/12/85/309151285.db2.gz CAWZEMVFLZNACW-LLVKDONJSA-N 2 0 346.397 3.016 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415970149 309151908 /nfs/dbraw/zinc/15/19/08/309151908.db2.gz HHSXBAIETQXYMB-INIZCTEOSA-N 2 0 332.492 3.040 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415971992 309152016 /nfs/dbraw/zinc/15/20/16/309152016.db2.gz ODVDQFPILBFWFF-UHFFFAOYSA-N 2 0 346.397 3.018 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982387 309152787 /nfs/dbraw/zinc/15/27/87/309152787.db2.gz XNJOYUXVGTZDGI-GJZGRUSLSA-N 2 0 332.492 3.023 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000416133903 309160233 /nfs/dbraw/zinc/16/02/33/309160233.db2.gz ILYNWRSBLSVTLL-ZWKOTPCHSA-N 2 0 345.512 3.160 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312473 309201246 /nfs/dbraw/zinc/20/12/46/309201246.db2.gz NVHVFKRPTJNZIB-XYVMCAHJSA-N 2 0 334.529 3.331 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000417817348 309223794 /nfs/dbraw/zinc/22/37/94/309223794.db2.gz DSEIRHDDMHFJRW-ZDUSSCGKSA-N 2 0 331.382 3.127 20 0 EGADRP C[N@H+](CCCC[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)C1CC1 ZINC000419295597 309263520 /nfs/dbraw/zinc/26/35/20/309263520.db2.gz CUZMRRVMDVLXCT-HXUWFJFHSA-N 2 0 343.515 3.204 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420303082 309280579 /nfs/dbraw/zinc/28/05/79/309280579.db2.gz GVZDIWWHJSFNQQ-UHFFFAOYSA-N 2 0 342.439 3.185 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)CCC2)c1 ZINC000420308925 309280873 /nfs/dbraw/zinc/28/08/73/309280873.db2.gz KUXJCHIRMPACDJ-SFHVURJKSA-N 2 0 346.515 3.443 20 0 EGADRP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420315221 309281611 /nfs/dbraw/zinc/28/16/11/309281611.db2.gz KXDLQRCOSITWGI-BEFAXECRSA-N 2 0 337.458 3.033 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326051 309282366 /nfs/dbraw/zinc/28/23/66/309282366.db2.gz WYYADTLXCQXWEM-FQEVSTJZSA-N 3 0 347.547 3.181 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3nccs3)CC2)cc1 ZINC000420327331 309282439 /nfs/dbraw/zinc/28/24/39/309282439.db2.gz YNTFTTXYVXOWAL-MRXNPFEDSA-N 2 0 331.485 3.074 20 0 EGADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420328917 309282697 /nfs/dbraw/zinc/28/26/97/309282697.db2.gz NLSAXYVTTZXJHH-CVEARBPZSA-N 2 0 329.419 3.302 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337089 309282936 /nfs/dbraw/zinc/28/29/36/309282936.db2.gz JKILTUQISVAEIO-CXAGYDPISA-N 2 0 335.879 3.131 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336103 309282963 /nfs/dbraw/zinc/28/29/63/309282963.db2.gz ILQAJRXVEWPGPZ-XHSDSOJGSA-N 2 0 349.906 3.297 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)n1 ZINC000420340554 309283251 /nfs/dbraw/zinc/28/32/51/309283251.db2.gz SNJFKZYOJURSFL-NRFANRHFSA-N 2 0 338.499 3.453 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344707 309283463 /nfs/dbraw/zinc/28/34/63/309283463.db2.gz UIUHQRYJRHUQOF-OKZBNKHCSA-N 2 0 343.515 3.377 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344042 309283532 /nfs/dbraw/zinc/28/35/32/309283532.db2.gz RUODCXOQDGQSIN-IPMKNSEASA-N 2 0 343.515 3.260 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000420355417 309283910 /nfs/dbraw/zinc/28/39/10/309283910.db2.gz DZVZVXHOOTYNAL-CQSZACIVSA-N 2 0 344.286 3.300 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000420373814 309284959 /nfs/dbraw/zinc/28/49/59/309284959.db2.gz GRPGJRGYYLDHPS-MSOLQXFVSA-N 2 0 340.870 3.240 20 0 EGADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376446 309285019 /nfs/dbraw/zinc/28/50/19/309285019.db2.gz JWAQIIGRCVHLQQ-FOIQADDNSA-N 2 0 335.455 3.288 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000420374189 309285081 /nfs/dbraw/zinc/28/50/81/309285081.db2.gz NSBPMTZGEQPWKC-KSSFIOAISA-N 2 0 341.455 3.047 20 0 EGADRP CCc1nc2ccccc2n1C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420376694 309285180 /nfs/dbraw/zinc/28/51/80/309285180.db2.gz QYRPEJRVGRVORI-INIZCTEOSA-N 2 0 326.488 3.235 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000420382362 309285585 /nfs/dbraw/zinc/28/55/85/309285585.db2.gz PRPJXWSOCKJXJL-MOPGFXCFSA-N 2 0 336.907 3.491 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000420396967 309286303 /nfs/dbraw/zinc/28/63/03/309286303.db2.gz FNZKVHNPVVVFAI-LPHOPBHVSA-N 2 0 337.467 3.356 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420399103 309286529 /nfs/dbraw/zinc/28/65/29/309286529.db2.gz ZNHVWMQHPRLFFE-CTNGQTDRSA-N 2 0 346.515 3.291 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000420410526 309286950 /nfs/dbraw/zinc/28/69/50/309286950.db2.gz XVWXDHZYMGOAQN-PZJWPPBQSA-N 2 0 338.499 3.453 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3ccccc3F)CC2)CC1 ZINC000420983321 309305570 /nfs/dbraw/zinc/30/55/70/309305570.db2.gz QLQZKODXQPYWED-QGZVFWFLSA-N 2 0 333.495 3.379 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3cccc(C)c3)CC2)CC1 ZINC000420979934 309305686 /nfs/dbraw/zinc/30/56/86/309305686.db2.gz LCUAKMUUQOLIIJ-UHFFFAOYSA-N 2 0 343.559 3.420 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1 ZINC000421380642 309321776 /nfs/dbraw/zinc/32/17/76/309321776.db2.gz YROWUHSHIHTPQO-WWDZGPRUSA-N 2 0 331.504 3.483 20 0 EGADRP C[NH+](C)C1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000421679149 309334388 /nfs/dbraw/zinc/33/43/88/309334388.db2.gz HUTXMCHKFPSAFW-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP COc1ccccc1[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000422707292 309363962 /nfs/dbraw/zinc/36/39/62/309363962.db2.gz HEYBXCNRWBLJOT-WMWLNJEOSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422706099 309364075 /nfs/dbraw/zinc/36/40/75/309364075.db2.gz DITUIAKNZXQRNK-ZIAGYGMSSA-N 2 0 329.419 3.293 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422711402 309364238 /nfs/dbraw/zinc/36/42/38/309364238.db2.gz MRDTURCSIBFLLN-KGLIPLIRSA-N 2 0 340.309 3.135 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422715256 309364330 /nfs/dbraw/zinc/36/43/30/309364330.db2.gz SDGMARRYTAVHDO-PKOBYXMFSA-N 2 0 329.488 3.422 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723337 309365049 /nfs/dbraw/zinc/36/50/49/309365049.db2.gz RBPWMLIYZMEQJI-DNVCBOLYSA-N 2 0 337.458 3.036 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422722608 309365123 /nfs/dbraw/zinc/36/51/23/309365123.db2.gz PMBZIKDGLJLZDB-RBUKOAKNSA-N 2 0 337.458 3.179 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422726325 309365218 /nfs/dbraw/zinc/36/52/18/309365218.db2.gz DOTIJOMEYMKKJM-PBHICJAKSA-N 2 0 343.437 3.387 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422728581 309365537 /nfs/dbraw/zinc/36/55/37/309365537.db2.gz JKRLVKUJPSDCBG-HUUCEWRRSA-N 2 0 326.444 3.112 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000422736079 309365848 /nfs/dbraw/zinc/36/58/48/309365848.db2.gz XCZZNHJONZQYGR-IERDGZPVSA-N 2 0 338.499 3.336 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000422737713 309366115 /nfs/dbraw/zinc/36/61/15/309366115.db2.gz XTJVNWVZDYPHSL-IYWMVGAKSA-N 2 0 333.495 3.329 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000422746685 309366290 /nfs/dbraw/zinc/36/62/90/309366290.db2.gz OECBEGUMHUILAX-OKDNKWQNSA-N 2 0 337.458 3.078 20 0 EGADRP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422767615 309367258 /nfs/dbraw/zinc/36/72/58/309367258.db2.gz TWCGUYBKAIEZMS-ICIURTGMSA-N 2 0 328.378 3.345 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000422769555 309367401 /nfs/dbraw/zinc/36/74/01/309367401.db2.gz VGDRTQSAVUVCNE-QXCFHYIPSA-N 2 0 335.923 3.453 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423278221 309393875 /nfs/dbraw/zinc/39/38/75/309393875.db2.gz QVUHGJIOQDNVGM-SMDDNHRTSA-N 2 0 327.266 3.108 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)CCCC[NH3+])CC2)cc1 ZINC000422791071 309368500 /nfs/dbraw/zinc/36/85/00/309368500.db2.gz YCZYGIZTAHGTDF-QGZVFWFLSA-N 3 0 333.520 3.014 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422793004 309368512 /nfs/dbraw/zinc/36/85/12/309368512.db2.gz FMKQNRXRBHVEJS-WMZOPIPTSA-N 2 0 344.499 3.247 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000422812546 309369831 /nfs/dbraw/zinc/36/98/31/309369831.db2.gz QQNWAWFMEKFUHG-NLWGTHIKSA-N 2 0 330.472 3.037 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820813 309370160 /nfs/dbraw/zinc/37/01/60/309370160.db2.gz SIONLQDYDQARHC-RXVVDRJESA-N 2 0 348.494 3.022 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422817269 309370167 /nfs/dbraw/zinc/37/01/67/309370167.db2.gz CRFOLOXGXOXRFB-QAPCUYQASA-N 2 0 340.467 3.241 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422824763 309370380 /nfs/dbraw/zinc/37/03/80/309370380.db2.gz OIAJOMMTHIDRDV-CZUORRHYSA-N 2 0 330.394 3.243 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000422842948 309371528 /nfs/dbraw/zinc/37/15/28/309371528.db2.gz ZVWBXQWESJWBAF-FQEVSTJZSA-N 2 0 337.467 3.181 20 0 EGADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000422843895 309371628 /nfs/dbraw/zinc/37/16/28/309371628.db2.gz KAFDZUXELFJXDW-RCCFBDPRSA-N 2 0 332.488 3.494 20 0 EGADRP CCOc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422851269 309371914 /nfs/dbraw/zinc/37/19/14/309371914.db2.gz WSYBCVANRDAXMJ-CYBMUJFWSA-N 2 0 329.444 3.107 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(O[C@@H]2CCOC2)c1 ZINC000422869887 309372842 /nfs/dbraw/zinc/37/28/42/309372842.db2.gz AXFZKSJORDGADJ-YSTOQKLRSA-N 2 0 344.499 3.173 20 0 EGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422875857 309373230 /nfs/dbraw/zinc/37/32/30/309373230.db2.gz PPOLFCDOODIUFW-DARKYYSBSA-N 2 0 330.516 3.442 20 0 EGADRP Cc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+]2CCCC2)o1 ZINC000422876270 309373564 /nfs/dbraw/zinc/37/35/64/309373564.db2.gz FKCMVECOOIJNLG-RLLQIKCJSA-N 2 0 341.499 3.273 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883515 309373937 /nfs/dbraw/zinc/37/39/37/309373937.db2.gz QOHZJMCSJLAFPD-ZEDDUWKQSA-N 3 0 327.516 3.434 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422889176 309374529 /nfs/dbraw/zinc/37/45/29/309374529.db2.gz FLGJWXHVKIHVNX-QUCCMNQESA-N 3 0 333.520 3.014 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422893579 309374660 /nfs/dbraw/zinc/37/46/60/309374660.db2.gz AHLFFRNIEFWWFE-XFWGSAIBSA-N 2 0 331.479 3.162 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc3ccccc3s2)CC[NH2+]CC1 ZINC000422901937 309375149 /nfs/dbraw/zinc/37/51/49/309375149.db2.gz LWDFBFGDPIHRQH-CQSZACIVSA-N 2 0 346.496 3.312 20 0 EGADRP c1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000422909249 309375665 /nfs/dbraw/zinc/37/56/65/309375665.db2.gz FJRQMQGMDSGSFJ-GVDBMIGSSA-N 2 0 342.512 3.258 20 0 EGADRP COc1ccc(COCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422913999 309376125 /nfs/dbraw/zinc/37/61/25/309376125.db2.gz ZPQJBTVNRVUMTM-UXHICEINSA-N 2 0 326.440 3.336 20 0 EGADRP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422930578 309376647 /nfs/dbraw/zinc/37/66/47/309376647.db2.gz VCRXAHNAFQXGPL-SLFFLAALSA-N 2 0 346.515 3.110 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932644 309376836 /nfs/dbraw/zinc/37/68/36/309376836.db2.gz GEULYKLTDNGHEL-DBVUQKKJSA-N 2 0 340.467 3.074 20 0 EGADRP CCOCCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422943736 309377303 /nfs/dbraw/zinc/37/73/03/309377303.db2.gz RGJFDVUDQRVUTO-RXVVDRJESA-N 2 0 344.499 3.429 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422941478 309377319 /nfs/dbraw/zinc/37/73/19/309377319.db2.gz OQGJRQZQQPFATN-VAMGGRTRSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000422940565 309377378 /nfs/dbraw/zinc/37/73/78/309377378.db2.gz HBKZRCBUNIIPDO-QFBILLFUSA-N 2 0 325.456 3.474 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422946898 309377526 /nfs/dbraw/zinc/37/75/26/309377526.db2.gz PREQXFMFDFIPRP-BDAKNGLRSA-N 2 0 337.208 3.266 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422949921 309377686 /nfs/dbraw/zinc/37/76/86/309377686.db2.gz UYFVYGUMVJKVMJ-HOCLYGCPSA-N 2 0 344.528 3.372 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1 ZINC000422981288 309379246 /nfs/dbraw/zinc/37/92/46/309379246.db2.gz NPXZVRBYYIHGAH-PBEJRMEISA-N 2 0 338.451 3.299 20 0 EGADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422983306 309379551 /nfs/dbraw/zinc/37/95/51/309379551.db2.gz SSEZXEWKQYRYPB-IRLDBZIGSA-N 2 0 334.463 3.247 20 0 EGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)C3C[NH2+]C3)s2)cc1 ZINC000422982511 309379573 /nfs/dbraw/zinc/37/95/73/309379573.db2.gz QYAGMRXIQIJCAA-NWDGAFQWSA-N 2 0 331.485 3.386 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423008479 309380633 /nfs/dbraw/zinc/38/06/33/309380633.db2.gz SUUTXZWAVRIPSV-OXJNMPFZSA-N 3 0 327.472 3.129 20 0 EGADRP C[C@@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423011108 309380788 /nfs/dbraw/zinc/38/07/88/309380788.db2.gz YZYAQYBMZFCVEP-UZLBHIALSA-N 2 0 327.472 3.142 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000423011396 309380862 /nfs/dbraw/zinc/38/08/62/309380862.db2.gz ZKUFVMQLQDFYOG-FGTMMUONSA-N 2 0 325.456 3.254 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC[NH2+]CC1 ZINC000423022472 309381344 /nfs/dbraw/zinc/38/13/44/309381344.db2.gz HSIQSHXRDMGZAC-BXWFABGCSA-N 2 0 344.499 3.221 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423025103 309381612 /nfs/dbraw/zinc/38/16/12/309381612.db2.gz NNNZENOLPLCXAO-IGCXYCKISA-N 2 0 325.859 3.036 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H](C)CCC[NH3+] ZINC000423028320 309381709 /nfs/dbraw/zinc/38/17/09/309381709.db2.gz FZTITDKUFUZKCV-GFCCVEGCSA-N 2 0 329.282 3.107 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000423027890 309381885 /nfs/dbraw/zinc/38/18/85/309381885.db2.gz FKEIPTFYIBSELG-BEQLGVGBSA-N 3 0 327.516 3.147 20 0 EGADRP COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423033929 309382258 /nfs/dbraw/zinc/38/22/58/309382258.db2.gz ZXXWZCCTVSGHJA-LSDHHAIUSA-N 2 0 343.471 3.223 20 0 EGADRP Cc1cnc([C@H](C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423038293 309382490 /nfs/dbraw/zinc/38/24/90/309382490.db2.gz OEZICVGVQXJJKU-AZOIQLNYSA-N 2 0 343.496 3.401 20 0 EGADRP CC[C@@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423043849 309382574 /nfs/dbraw/zinc/38/25/74/309382574.db2.gz ADDRQSIRQSVRHR-IXDOHACOSA-N 2 0 343.437 3.428 20 0 EGADRP Brc1ccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC000423050543 309383274 /nfs/dbraw/zinc/38/32/74/309383274.db2.gz MCPNYZLMQDJDOE-PBWFPOADSA-N 2 0 334.261 3.303 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056572 309383609 /nfs/dbraw/zinc/38/36/09/309383609.db2.gz YMROWHIUHZLMMA-XYPHTWIQSA-N 2 0 343.437 3.286 20 0 EGADRP C[C@@H](O)[C@@](C)(C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])Cc1ccccc1 ZINC000423079087 309384742 /nfs/dbraw/zinc/38/47/42/309384742.db2.gz QADFUMQFOFVOPT-GKJHBJHPSA-N 2 0 340.511 3.164 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092485 309385621 /nfs/dbraw/zinc/38/56/21/309385621.db2.gz CAMMFNMDHJCBNK-YYWHXJBOSA-N 2 0 329.532 3.332 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423095093 309385739 /nfs/dbraw/zinc/38/57/39/309385739.db2.gz LJFVPODYEGTJCK-UUAYOZFRSA-N 2 0 342.405 3.293 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1C[NH2+]C1 ZINC000423105290 309386165 /nfs/dbraw/zinc/38/61/65/309386165.db2.gz YYHLZIONUMCWAC-GAFUQQFSSA-N 2 0 327.241 3.032 20 0 EGADRP C[C@@H]([NH2+]CC1(c2ccc(Br)s2)CCC1)C1C[NH2+]C1 ZINC000423111824 309386392 /nfs/dbraw/zinc/38/63/92/309386392.db2.gz WTDDJJWIVLCQOD-SNVBAGLBSA-N 2 0 329.307 3.130 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116549 309386882 /nfs/dbraw/zinc/38/68/82/309386882.db2.gz QJJVYCCIDLDCGV-XNMUZJSGSA-N 2 0 327.516 3.160 20 0 EGADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423131566 309387388 /nfs/dbraw/zinc/38/73/88/309387388.db2.gz OGYNCJCRXKHHPW-YZGWKJHDSA-N 2 0 330.516 3.328 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC000423145158 309388074 /nfs/dbraw/zinc/38/80/74/309388074.db2.gz JJKGNXKFLHBWRM-SJLPKXTDSA-N 2 0 344.499 3.018 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000423177546 309389381 /nfs/dbraw/zinc/38/93/81/309389381.db2.gz FDDYLONAVRNTNL-QGZVFWFLSA-N 2 0 327.875 3.061 20 0 EGADRP Fc1cc(Br)ccc1[C@@H](N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423184920 309389552 /nfs/dbraw/zinc/38/95/52/309389552.db2.gz IZMFPWYKYRPOJR-WFASDCNBSA-N 2 0 327.241 3.381 20 0 EGADRP Clc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423189199 309389702 /nfs/dbraw/zinc/38/97/02/309389702.db2.gz QMPGZJPPHMKZHV-FQEVSTJZSA-N 2 0 343.902 3.314 20 0 EGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423199775 309390019 /nfs/dbraw/zinc/39/00/19/309390019.db2.gz CQQCUJNXTOUMOA-AWEZNQCLSA-N 2 0 333.476 3.110 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423252356 309392359 /nfs/dbraw/zinc/39/23/59/309392359.db2.gz UAHNKKOMJJCXSZ-ZFWWWQNUSA-N 2 0 332.879 3.484 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256229 309392527 /nfs/dbraw/zinc/39/25/27/309392527.db2.gz BNNKRCRLAKIUHQ-PWSUYJOCSA-N 2 0 329.307 3.477 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C2 ZINC000423257579 309392600 /nfs/dbraw/zinc/39/26/00/309392600.db2.gz KEMJTCOGDPVHPB-SUMWQHHRSA-N 2 0 337.305 3.286 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423275640 309393655 /nfs/dbraw/zinc/39/36/55/309393655.db2.gz MBQQSAUGENGRNJ-NQIIRXRSSA-N 2 0 344.547 3.194 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000423279669 309393758 /nfs/dbraw/zinc/39/37/58/309393758.db2.gz SQINYCXZUWDWIK-CJNGLKHVSA-N 2 0 343.309 3.362 20 0 EGADRP COc1ccc([C@H]([NH2+]C[C@H](C)C[NH3+])C(C)C)c(Br)c1 ZINC000423314025 309394873 /nfs/dbraw/zinc/39/48/73/309394873.db2.gz XVCZNOYJASAVPJ-IAQYHMDHSA-N 2 0 329.282 3.339 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423335860 309395672 /nfs/dbraw/zinc/39/56/72/309395672.db2.gz SFLOAFDVVKLDTA-OXJNMPFZSA-N 2 0 342.487 3.039 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H](C)[NH3+] ZINC000423342652 309396128 /nfs/dbraw/zinc/39/61/28/309396128.db2.gz VDZLEJWRBJEPIQ-ZWOKBUDYSA-N 2 0 345.531 3.297 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)CC1(C[NH3+])CC1)C1CCCCC1 ZINC000423342798 309396158 /nfs/dbraw/zinc/39/61/58/309396158.db2.gz DFPFPWHPURTGMJ-UHFFFAOYSA-N 2 0 343.515 3.196 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H](C)[NH3+] ZINC000423347220 309396462 /nfs/dbraw/zinc/39/64/62/309396462.db2.gz ZWRCYFKQKOIAPD-HLIPFELVSA-N 2 0 345.531 3.297 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000423363149 309396998 /nfs/dbraw/zinc/39/69/98/309396998.db2.gz BNFOOWGHGOCSCP-QAPCUYQASA-N 2 0 341.455 3.175 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423375938 309397710 /nfs/dbraw/zinc/39/77/10/309397710.db2.gz YDAJJRTXAZRCGV-ABAIWWIYSA-N 2 0 327.241 3.307 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000423377068 309397854 /nfs/dbraw/zinc/39/78/54/309397854.db2.gz VRFCAVOXKNBRGB-XDWAVFMPSA-N 3 0 327.516 3.289 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CCN1Cc1ccccc1 ZINC000423388191 309398072 /nfs/dbraw/zinc/39/80/72/309398072.db2.gz NFQFUGSBPSSKIV-JTSKRJEESA-N 2 0 335.495 3.433 20 0 EGADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423392567 309398342 /nfs/dbraw/zinc/39/83/42/309398342.db2.gz OKYXJDXVDCINCL-MRXNPFEDSA-N 2 0 342.430 3.345 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423390596 309398399 /nfs/dbraw/zinc/39/83/99/309398399.db2.gz OZNUFKANMHLASU-SFHVURJKSA-N 2 0 331.504 3.093 20 0 EGADRP COCC1(C[NH2+][C@H](c2cc(F)ccc2F)C(C)C)CC[NH2+]CC1 ZINC000423395712 309398538 /nfs/dbraw/zinc/39/85/38/309398538.db2.gz ARKILMOHWXPNQF-KRWDZBQOSA-N 2 0 326.431 3.268 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000423404427 309398780 /nfs/dbraw/zinc/39/87/80/309398780.db2.gz INNOPBCNZYMULK-CYBMUJFWSA-N 2 0 330.394 3.372 20 0 EGADRP COCC1(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000423408185 309398993 /nfs/dbraw/zinc/39/89/93/309398993.db2.gz ODUQXBBNGUNAFN-HNNXBMFYSA-N 2 0 340.920 3.483 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423451590 309400930 /nfs/dbraw/zinc/40/09/30/309400930.db2.gz YHCGRRHFZXSWLV-IDCJVQTKSA-N 2 0 332.488 3.174 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCc2nccn2C)cc1 ZINC000423464247 309401141 /nfs/dbraw/zinc/40/11/41/309401141.db2.gz QNDVRQRMHBRREH-JZXOWHBKSA-N 2 0 342.487 3.167 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccn2)cc1 ZINC000423550256 309406139 /nfs/dbraw/zinc/40/61/39/309406139.db2.gz STHJBIFDZMQSBT-CIWUYKSXSA-N 2 0 325.431 3.288 20 0 EGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000423557953 309406233 /nfs/dbraw/zinc/40/62/33/309406233.db2.gz IQEJTLFISLRPMV-MRXNPFEDSA-N 2 0 329.513 3.392 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423558256 309406241 /nfs/dbraw/zinc/40/62/41/309406241.db2.gz RZIBDTAXLJYDER-UZWSLXQKSA-N 2 0 341.318 3.476 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000423742384 309411230 /nfs/dbraw/zinc/41/12/30/309411230.db2.gz LBSAYSCWKVHUIF-UXHICEINSA-N 2 0 345.531 3.394 20 0 EGADRP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423804061 309413623 /nfs/dbraw/zinc/41/36/23/309413623.db2.gz XJHONDPMIVMWCQ-AABGKKOBSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC12CCCCC2 ZINC000423893990 309419192 /nfs/dbraw/zinc/41/91/92/309419192.db2.gz GVVFFYQCKTUAAC-QGZVFWFLSA-N 2 0 335.536 3.009 20 0 EGADRP Cc1cc(Cl)ccc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424374219 309440713 /nfs/dbraw/zinc/44/07/13/309440713.db2.gz HVRFJCUQORXRQC-UHFFFAOYSA-N 2 0 330.863 3.285 20 0 EGADRP O=C(C[C@H]1CCC[NH2+]CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000427266434 309526043 /nfs/dbraw/zinc/52/60/43/309526043.db2.gz SPBJMCXGZQOANP-IBGZPJMESA-N 2 0 343.515 3.433 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000430834423 309618909 /nfs/dbraw/zinc/61/89/09/309618909.db2.gz CWPYYTIGOKLHDD-PMACEKPBSA-N 2 0 345.531 3.379 20 0 EGADRP CCOc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000430921116 309621067 /nfs/dbraw/zinc/62/10/67/309621067.db2.gz XARRXZVOMWVWHO-UHFFFAOYSA-N 2 0 340.414 3.262 20 0 EGADRP CCOc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc(Cl)c1OC ZINC000430951669 309622012 /nfs/dbraw/zinc/62/20/12/309622012.db2.gz WCDREEYAHAHVSP-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000433144255 309679870 /nfs/dbraw/zinc/67/98/70/309679870.db2.gz BNXLRQFWTMCACH-GOSISDBHSA-N 2 0 349.906 3.207 20 0 EGADRP CCn1nnc(C)c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000449037444 310031948 /nfs/dbraw/zinc/03/19/48/310031948.db2.gz NEXCPRNIFDHCAA-INIZCTEOSA-N 2 0 333.524 3.083 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)CC1 ZINC000449060503 310033840 /nfs/dbraw/zinc/03/38/40/310033840.db2.gz SMMRARZJRIMSCW-FQEVSTJZSA-N 2 0 328.500 3.456 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000449078481 310035342 /nfs/dbraw/zinc/03/53/42/310035342.db2.gz XWPKGCXERFDITI-IBGZPJMESA-N 2 0 330.520 3.282 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCC[C@H]1C ZINC000449082473 310035572 /nfs/dbraw/zinc/03/55/72/310035572.db2.gz NOLKVSAPXALYJH-AOIWGVFYSA-N 2 0 330.520 3.138 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000449104545 310037300 /nfs/dbraw/zinc/03/73/00/310037300.db2.gz ABQYWPNHDZZCAO-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP Cc1cccc(CC[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000449175337 310042139 /nfs/dbraw/zinc/04/21/39/310042139.db2.gz JSYUPOWCSINHBY-UHFFFAOYSA-N 2 0 338.495 3.284 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449227005 310046006 /nfs/dbraw/zinc/04/60/06/310046006.db2.gz ZDFWOVSJDGGPAM-GOSISDBHSA-N 2 0 330.472 3.295 20 0 EGADRP COc1cccc2c(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)cccc12 ZINC000449282628 310049996 /nfs/dbraw/zinc/04/99/96/310049996.db2.gz IHTWAYZGMKNCEN-KRWDZBQOSA-N 2 0 342.483 3.439 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449501020 310067114 /nfs/dbraw/zinc/06/71/14/310067114.db2.gz DYXPXAVDTUFXOU-DVMWJLJYSA-N 2 0 334.548 3.416 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449582877 310073897 /nfs/dbraw/zinc/07/38/97/310073897.db2.gz HJYWOBOQVUVMDM-KANFNMMFSA-N 2 0 336.520 3.351 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000449757739 310084922 /nfs/dbraw/zinc/08/49/22/310084922.db2.gz YGEJOMOFTAHFHD-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449926650 310094516 /nfs/dbraw/zinc/09/45/16/310094516.db2.gz MTNNNZZAJGDEBW-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000450353769 310117378 /nfs/dbraw/zinc/11/73/78/310117378.db2.gz GUMGQFCTUQTCHL-GOSISDBHSA-N 2 0 339.483 3.346 20 0 EGADRP CCc1nccn1[C@H]1CCCN(Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450379430 310119220 /nfs/dbraw/zinc/11/92/20/310119220.db2.gz NZLIJCMXTFJXEV-AWEZNQCLSA-N 2 0 341.381 3.041 20 0 EGADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833624 310144930 /nfs/dbraw/zinc/14/49/30/310144930.db2.gz KLZSVKBCBYHYLQ-NHCUHLMSSA-N 2 0 330.516 3.319 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000451133005 310162041 /nfs/dbraw/zinc/16/20/41/310162041.db2.gz YDWRVSIGPHBXCW-YYAJDYIMSA-N 2 0 349.494 3.184 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000451132997 310162116 /nfs/dbraw/zinc/16/21/16/310162116.db2.gz YDWRVSIGPHBXCW-PASDCYSWSA-N 2 0 349.494 3.184 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2ccccc2Cl)CC1 ZINC000451981225 310206372 /nfs/dbraw/zinc/20/63/72/310206372.db2.gz IJMAUTRKVOCFQP-UHFFFAOYSA-N 2 0 337.939 3.278 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000453068232 310255690 /nfs/dbraw/zinc/25/56/90/310255690.db2.gz XZNQZCCVYUBVJQ-ZWKOTPCHSA-N 2 0 338.499 3.429 20 0 EGADRP C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453074472 310256115 /nfs/dbraw/zinc/25/61/15/310256115.db2.gz GVMQGAXQWYJJAN-HBMCJLEFSA-N 2 0 327.516 3.113 20 0 EGADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000453095613 310257470 /nfs/dbraw/zinc/25/74/70/310257470.db2.gz WMMOPEZVIWFZBN-IBGZPJMESA-N 2 0 344.528 3.396 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000453097366 310257701 /nfs/dbraw/zinc/25/77/01/310257701.db2.gz XYJZNJHBAYRTRF-KRWDZBQOSA-N 2 0 344.528 3.314 20 0 EGADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453140871 310260388 /nfs/dbraw/zinc/26/03/88/310260388.db2.gz ZRMBEKCVEIXWOC-JSXRDJHFSA-N 2 0 330.516 3.426 20 0 EGADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453140870 310260433 /nfs/dbraw/zinc/26/04/33/310260433.db2.gz ZRMBEKCVEIXWOC-DOIPELPJSA-N 2 0 330.516 3.426 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](C2CC2)C2CCCC2)cc1 ZINC000453147401 310260927 /nfs/dbraw/zinc/26/09/27/310260927.db2.gz QDYGMWXONHVQEJ-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453237354 310265977 /nfs/dbraw/zinc/26/59/77/310265977.db2.gz PUVRQHAAPFJHIM-KCLUMXDGSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)(CO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453274013 310268628 /nfs/dbraw/zinc/26/86/28/310268628.db2.gz JYVNLYFKTISIEN-AQNXPRMDSA-N 2 0 330.516 3.428 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000453354600 310272641 /nfs/dbraw/zinc/27/26/41/310272641.db2.gz KAHSWSPMSDVSIP-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CCC1 ZINC000453369109 310273333 /nfs/dbraw/zinc/27/33/33/310273333.db2.gz FFYKWRMMCDTJNN-JSXRDJHFSA-N 2 0 328.500 3.180 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H](C)C1 ZINC000453372654 310273509 /nfs/dbraw/zinc/27/35/09/310273509.db2.gz GQTFGJJMVGGZIX-ZWKOTPCHSA-N 2 0 340.552 3.044 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)nnn1-c1ccc(F)cc1 ZINC000453418501 310276052 /nfs/dbraw/zinc/27/60/52/310276052.db2.gz YFVQPWBTNSCEBF-CQSZACIVSA-N 2 0 345.466 3.240 20 0 EGADRP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455931786 310382612 /nfs/dbraw/zinc/38/26/12/310382612.db2.gz PRFFLPRVGITHAB-DNVCBOLYSA-N 2 0 344.503 3.089 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455933208 310382678 /nfs/dbraw/zinc/38/26/78/310382678.db2.gz QLTYFQNQVSQWAF-KDOFPFPSSA-N 2 0 332.492 3.087 20 0 EGADRP CC[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000456176554 310391995 /nfs/dbraw/zinc/39/19/95/310391995.db2.gz WMIOXYKSYVBLEB-SFHVURJKSA-N 2 0 333.520 3.134 20 0 EGADRP CC[NH+](CC)CCSCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456271259 310395915 /nfs/dbraw/zinc/39/59/15/310395915.db2.gz KTSAXGDMJRKOPL-SFHVURJKSA-N 2 0 349.544 3.249 20 0 EGADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000468551200 310690516 /nfs/dbraw/zinc/69/05/16/310690516.db2.gz CKYPOYBYTMXRHW-PYTPGESOSA-N 2 0 346.515 3.009 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000474173688 310787097 /nfs/dbraw/zinc/78/70/97/310787097.db2.gz SNMBQZLNWGMFQO-KRWDZBQOSA-N 2 0 327.472 3.480 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)[C@@H]1C ZINC000474475435 310794494 /nfs/dbraw/zinc/79/44/94/310794494.db2.gz YKZXGXZYZPGRSM-XWSJACJDSA-N 2 0 338.536 3.454 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCCCC1 ZINC000474805264 310799824 /nfs/dbraw/zinc/79/98/24/310799824.db2.gz BPGPFSLDWHZALV-INIZCTEOSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]1C[C@H](CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H](C)C1 ZINC000490696978 311149580 /nfs/dbraw/zinc/14/95/80/311149580.db2.gz KLYGAIRGQMGVFU-LUYSREMJSA-N 2 0 335.580 3.407 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490993545 311160189 /nfs/dbraw/zinc/16/01/89/311160189.db2.gz HKCXWRSFPURPHJ-MDZRGWNJSA-N 2 0 335.923 3.359 20 0 EGADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000492275170 311232511 /nfs/dbraw/zinc/23/25/11/311232511.db2.gz HMYQLGXLXSPSCW-OAHLLOKOSA-N 2 0 339.524 3.096 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000493969576 311448664 /nfs/dbraw/zinc/44/86/64/311448664.db2.gz OEZQGBHVXIDLRS-UWJYYQICSA-N 2 0 342.483 3.493 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494660784 311500589 /nfs/dbraw/zinc/50/05/89/311500589.db2.gz YKBRLJBAVWYYGV-GJZGRUSLSA-N 2 0 327.513 3.142 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000496126641 311665439 /nfs/dbraw/zinc/66/54/39/311665439.db2.gz FHBMXMGUBTZRTC-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507466013 312073534 /nfs/dbraw/zinc/07/35/34/312073534.db2.gz CBFGRXFUTHRWKL-OUJGAGHGSA-N 2 0 330.516 3.284 20 0 EGADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000507471482 312073822 /nfs/dbraw/zinc/07/38/22/312073822.db2.gz PHGLOQILCQLUII-MRXNPFEDSA-N 2 0 327.472 3.435 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000508859681 312104065 /nfs/dbraw/zinc/10/40/65/312104065.db2.gz XQINAGAXJKNJPR-UHFFFAOYSA-N 2 0 341.293 3.102 20 0 EGADRP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512656346 312191672 /nfs/dbraw/zinc/19/16/72/312191672.db2.gz ZGJYQGNZJOMBIE-IVAOSVALSA-N 2 0 330.516 3.428 20 0 EGADRP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C)c1 ZINC000512677722 312192039 /nfs/dbraw/zinc/19/20/39/312192039.db2.gz LJYLSJCIBKRGLV-PMACEKPBSA-N 2 0 329.532 3.294 20 0 EGADRP CCc1ccc(-c2ccc(C[N@H+](C)C3CCN(CCO)CC3)o2)cc1 ZINC000513516342 312211929 /nfs/dbraw/zinc/21/19/29/312211929.db2.gz VESUFOFHLSFVOA-UHFFFAOYSA-N 2 0 342.483 3.398 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000514782116 312245009 /nfs/dbraw/zinc/24/50/09/312245009.db2.gz YKFYSQDPPYMEPR-SJLPKXTDSA-N 2 0 325.456 3.138 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1OC ZINC000515556606 312289581 /nfs/dbraw/zinc/28/95/81/312289581.db2.gz LZSQXDYWTNOADQ-RDJZCZTQSA-N 2 0 334.504 3.263 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)c1ccsc1 ZINC000516056736 312306616 /nfs/dbraw/zinc/30/66/16/312306616.db2.gz ZHZBHJQDYCFJKV-JKSUJKDBSA-N 2 0 339.549 3.271 20 0 EGADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000517122548 312364535 /nfs/dbraw/zinc/36/45/35/312364535.db2.gz XWJXYRLOCXYUEH-LBPRGKRZSA-N 2 0 331.382 3.012 20 0 EGADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000517122546 312364550 /nfs/dbraw/zinc/36/45/50/312364550.db2.gz XWJXYRLOCXYUEH-GFCCVEGCSA-N 2 0 331.382 3.012 20 0 EGADRP CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000527801376 312944853 /nfs/dbraw/zinc/94/48/53/312944853.db2.gz IVLTYMVPURZIIR-RTWAWAEBSA-N 2 0 345.531 3.263 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC23CC(C2)CO3)ccc1OC ZINC000527987124 312990778 /nfs/dbraw/zinc/99/07/78/312990778.db2.gz ZIYLBNNLIIQHEC-LSWWBPAMSA-N 2 0 332.488 3.367 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C[C@H](C)O1 ZINC000529525239 313342760 /nfs/dbraw/zinc/34/27/60/313342760.db2.gz FMFQROVEWLCSRK-CALCHBBNSA-N 2 0 341.499 3.489 20 0 EGADRP Clc1cccc2c1CC[C@H]2[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240058 313504209 /nfs/dbraw/zinc/50/42/09/313504209.db2.gz KFJBKBITRFUXPV-DNVCBOLYSA-N 2 0 334.891 3.418 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000535083025 314025465 /nfs/dbraw/zinc/02/54/65/314025465.db2.gz TUQKIJFTGWSGLX-UHFFFAOYSA-N 2 0 341.503 3.034 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)c1ccccc1 ZINC000536842566 314149332 /nfs/dbraw/zinc/14/93/32/314149332.db2.gz AAYZYPKBCMIWOK-KRWDZBQOSA-N 2 0 341.499 3.478 20 0 EGADRP CCc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000536998292 314156183 /nfs/dbraw/zinc/15/61/83/314156183.db2.gz NEFXSCYIEFOLCT-UXHICEINSA-N 2 0 345.531 3.123 20 0 EGADRP COC(=O)c1oc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000537037166 314158300 /nfs/dbraw/zinc/15/83/00/314158300.db2.gz RBIZWSFUIQBACA-OAHLLOKOSA-N 2 0 336.476 3.488 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1)CC(C)C ZINC000537996792 314223099 /nfs/dbraw/zinc/22/30/99/314223099.db2.gz XVIAWBCVNHUTII-GOSISDBHSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000539558249 314320607 /nfs/dbraw/zinc/32/06/07/314320607.db2.gz LYYNAYMJXVLLPH-MLGOLLRUSA-N 2 0 331.287 3.440 20 0 EGADRP CC[C@](C)(COc1ncccc1Cl)[NH2+]CCC[NH+]1CCCC1 ZINC000539881482 314348341 /nfs/dbraw/zinc/34/83/41/314348341.db2.gz BXEFHVCDTUIZPC-QGZVFWFLSA-N 2 0 325.884 3.358 20 0 EGADRP CCC[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000540520184 314386667 /nfs/dbraw/zinc/38/66/67/314386667.db2.gz OGOLDVWBGJMKCY-SFTDATJTSA-N 2 0 329.532 3.457 20 0 EGADRP CCCc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000541665981 314478245 /nfs/dbraw/zinc/47/82/45/314478245.db2.gz UZDNDZMSFSUFIA-UHFFFAOYSA-N 2 0 343.559 3.489 20 0 EGADRP Cn1cc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)c2ccc(F)cc21 ZINC000547431496 314901475 /nfs/dbraw/zinc/90/14/75/314901475.db2.gz WJBXYEKRWPAWMH-UHFFFAOYSA-N 2 0 329.463 3.324 20 0 EGADRP C[N@H+](CCC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000548716948 315038952 /nfs/dbraw/zinc/03/89/52/315038952.db2.gz NZELJTLGNGBQSP-UHFFFAOYSA-N 2 0 335.536 3.164 20 0 EGADRP Cc1cc(Cl)cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000550175278 315118959 /nfs/dbraw/zinc/11/89/59/315118959.db2.gz NQVLDQRCIPRWQV-UHFFFAOYSA-N 2 0 330.863 3.407 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)C[NH+](C)C ZINC000550218626 315120877 /nfs/dbraw/zinc/12/08/77/315120877.db2.gz ULGDSPDLGCXAAP-GXTWGEPZSA-N 2 0 325.294 3.094 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[NH+](C)C2)CC1 ZINC000552246066 315208734 /nfs/dbraw/zinc/20/87/34/315208734.db2.gz HIOQCIAXGNCLTM-QNGMFEMESA-N 3 0 329.532 3.361 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000553781152 315281932 /nfs/dbraw/zinc/28/19/32/315281932.db2.gz ALOXJLBNLOFFPJ-IPMKNSEASA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000562397938 315828643 /nfs/dbraw/zinc/82/86/43/315828643.db2.gz AZCKJBCECBXLJD-GOSISDBHSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563349814 316003698 /nfs/dbraw/zinc/00/36/98/316003698.db2.gz KCLCCODZHMCRSA-GXTWGEPZSA-N 2 0 338.377 3.203 20 0 EGADRP CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000563505762 316030790 /nfs/dbraw/zinc/03/07/90/316030790.db2.gz DIZJVSNOVSZEAM-LJQANCHMSA-N 2 0 344.503 3.168 20 0 EGADRP Cc1ccc(-c2noc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563668513 316053546 /nfs/dbraw/zinc/05/35/46/316053546.db2.gz ADQRSLGXRCPQBN-IRXDYDNUSA-N 2 0 326.444 3.009 20 0 EGADRP Clc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc1 ZINC000563742264 316063488 /nfs/dbraw/zinc/06/34/88/316063488.db2.gz CPUDPSUDEHJFLY-UHFFFAOYSA-N 2 0 337.895 3.059 20 0 EGADRP Cc1cnc2cc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccn12 ZINC000564352930 316142237 /nfs/dbraw/zinc/14/22/37/316142237.db2.gz YODBJOZPDYTVDQ-RDJZCZTQSA-N 2 0 340.471 3.026 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3CCCC[C@@H]3O)C2)s1 ZINC000565049426 316256151 /nfs/dbraw/zinc/25/61/51/316256151.db2.gz PQJBISRBSITQSR-LMMKCTJWSA-N 2 0 336.545 3.361 20 0 EGADRP FC(F)(F)Oc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000565421883 316321652 /nfs/dbraw/zinc/32/16/52/316321652.db2.gz KIZXEMBOIVISTH-CQSZACIVSA-N 2 0 328.378 3.407 20 0 EGADRP Cc1cccc(OC[C@H](O)C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000566909370 316543698 /nfs/dbraw/zinc/54/36/98/316543698.db2.gz COHGDVNNWWOBOK-HXUWFJFHSA-N 2 0 348.531 3.082 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000567647691 316649107 /nfs/dbraw/zinc/64/91/07/316649107.db2.gz LBJPYAMBKSTTFB-SNRMKQJTSA-N 2 0 337.467 3.136 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCC2 ZINC000569484400 316922260 /nfs/dbraw/zinc/92/22/60/316922260.db2.gz IPIWMJYPGJWBDB-FQEVSTJZSA-N 2 0 347.572 3.402 20 0 EGADRP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000571735363 317238897 /nfs/dbraw/zinc/23/88/97/317238897.db2.gz WQFALZVCUMEKBI-UZLBHIALSA-N 2 0 339.483 3.169 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)CC1 ZINC000571951851 317270137 /nfs/dbraw/zinc/27/01/37/317270137.db2.gz WLBDLTXXFFJXQJ-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000572056887 317284997 /nfs/dbraw/zinc/28/49/97/317284997.db2.gz CSELUYBKGGMMKN-UHFFFAOYSA-N 2 0 339.483 3.413 20 0 EGADRP CN(Cc1cccc(O)c1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000572065355 317285628 /nfs/dbraw/zinc/28/56/28/317285628.db2.gz MAOOLOFQAVURJQ-OAQYLSRUSA-N 2 0 340.467 3.115 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000572257780 317313684 /nfs/dbraw/zinc/31/36/84/317313684.db2.gz VEHRHUKHHIUFMA-CNXCKVANSA-N 2 0 332.488 3.171 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000572361888 317328496 /nfs/dbraw/zinc/32/84/96/317328496.db2.gz HOMNPRALDQSPBV-HXUWFJFHSA-N 2 0 339.483 3.301 20 0 EGADRP CN1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000572666669 317372759 /nfs/dbraw/zinc/37/27/59/317372759.db2.gz UNZDNMLLDRBORC-QUCCMNQESA-N 2 0 334.467 3.302 20 0 EGADRP Cc1cccc(OC[C@H](O)C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000573084445 317435172 /nfs/dbraw/zinc/43/51/72/317435172.db2.gz VVPGSMDHWMIWLG-SLFFLAALSA-N 2 0 348.531 3.082 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000573815385 317531946 /nfs/dbraw/zinc/53/19/46/317531946.db2.gz PUEJYFRIQWXFDM-UCLAIMLFSA-N 2 0 338.455 3.254 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(Cl)c2F)C[C@H](C)O1 ZINC000177568202 323341247 /nfs/dbraw/zinc/34/12/47/323341247.db2.gz JAQRVUFNLFIXSH-KBPBESRZSA-N 2 0 328.859 3.458 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccoc2)CC1 ZINC000178133565 323352058 /nfs/dbraw/zinc/35/20/58/323352058.db2.gz ITKVKIPABCETAY-KRWDZBQOSA-N 2 0 327.472 3.268 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCNc3ccccc32)ccn1 ZINC000193058928 323831193 /nfs/dbraw/zinc/83/11/93/323831193.db2.gz MCYYIGLGLZNHLL-IBGZPJMESA-N 2 0 340.471 3.059 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000350609636 324106976 /nfs/dbraw/zinc/10/69/76/324106976.db2.gz VVKYOTIDLSRVBS-GJZGRUSLSA-N 2 0 344.459 3.050 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc(C34CCC[NH+]3CCC4)n2)c1 ZINC000351234582 324203912 /nfs/dbraw/zinc/20/39/12/324203912.db2.gz ZPBCYUAHNWRSIP-UHFFFAOYSA-N 2 0 338.455 3.417 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCCC[C@H]45)[C@@H]3C2)cc1 ZINC000385803311 324263986 /nfs/dbraw/zinc/26/39/86/324263986.db2.gz KKXWGCYTCJSPEN-MLBCHFTJSA-N 2 0 339.527 3.113 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000395715346 324293055 /nfs/dbraw/zinc/29/30/55/324293055.db2.gz KRRRQHVTNJZLGY-SFHVURJKSA-N 2 0 333.520 3.169 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000576268600 324579855 /nfs/dbraw/zinc/57/98/55/324579855.db2.gz NLRMTMOMAKISRX-KDOFPFPSSA-N 2 0 334.410 3.379 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc2s1 ZINC000578423025 324966754 /nfs/dbraw/zinc/96/67/54/324966754.db2.gz WTVQKJUXYMUXJY-APWZRJJASA-N 2 0 345.512 3.323 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cc2c1 ZINC000580297611 325230507 /nfs/dbraw/zinc/23/05/07/325230507.db2.gz MHKIOJUVVCPCIZ-JXFKEZNVSA-N 2 0 344.455 3.160 20 0 EGADRP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580315408 325233740 /nfs/dbraw/zinc/23/37/40/325233740.db2.gz HKDATTWUEVBIST-CABCVRRESA-N 2 0 330.451 3.017 20 0 EGADRP CN(CCC[NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000580408935 325245714 /nfs/dbraw/zinc/24/57/14/325245714.db2.gz NNQLRUROUKHEDZ-UHFFFAOYSA-N 2 0 332.492 3.264 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000580541170 325265267 /nfs/dbraw/zinc/26/52/67/325265267.db2.gz HEOLSKONFSIGPI-LBPRGKRZSA-N 2 0 331.273 3.497 20 0 EGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000581543345 325370347 /nfs/dbraw/zinc/37/03/47/325370347.db2.gz CMENEVHSFUUQEJ-PMACEKPBSA-N 2 0 348.531 3.001 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)C)c(Cl)c1 ZINC000581878586 325395626 /nfs/dbraw/zinc/39/56/26/325395626.db2.gz QZJWYSVNJXPOGO-AWEZNQCLSA-N 2 0 325.884 3.343 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000583439378 325524762 /nfs/dbraw/zinc/52/47/62/325524762.db2.gz NQVKXEPQABEFBV-LJQANCHMSA-N 2 0 325.456 3.475 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000394317444 457471527 /nfs/dbraw/zinc/47/15/27/457471527.db2.gz BEIZBZGYDOIMME-MRXNPFEDSA-N 2 0 341.540 3.246 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173341061 455269191 /nfs/dbraw/zinc/26/91/91/455269191.db2.gz ZNCPKZMDSHMZEB-SJORKVTESA-N 2 0 339.524 3.001 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCC2 ZINC000181524722 455349211 /nfs/dbraw/zinc/34/92/11/455349211.db2.gz SMQRQASUOJKXJA-RBUKOAKNSA-N 2 0 332.488 3.064 20 0 EGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000605518216 460596979 /nfs/dbraw/zinc/59/69/79/460596979.db2.gz NDSSIDJJBOEKRR-FQEVSTJZSA-N 2 0 343.515 3.277 20 0 EGADRP CN(C)c1c(C[NH2+]CCCCC[NH+]2CCCC2)ccc(F)c1F ZINC000623534088 460599759 /nfs/dbraw/zinc/59/97/59/460599759.db2.gz WYSYMSPJAQMKBD-UHFFFAOYSA-N 2 0 325.447 3.387 20 0 EGADRP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](C)C1 ZINC000245732422 455367702 /nfs/dbraw/zinc/36/77/02/455367702.db2.gz IWVSSZVDIFHGLC-LPHOPBHVSA-N 2 0 333.545 3.378 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000068115398 453998867 /nfs/dbraw/zinc/99/88/67/453998867.db2.gz HELOONODWLWFMA-SFHVURJKSA-N 2 0 345.531 3.380 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000077290306 454086604 /nfs/dbraw/zinc/08/66/04/454086604.db2.gz DBPRFHCTTOKNIJ-UHFFFAOYSA-N 2 0 329.513 3.142 20 0 EGADRP C(CC[N@@H+]1CCCO[C@@H]2CCC[C@H]21)C[NH+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316991 454090028 /nfs/dbraw/zinc/09/00/28/454090028.db2.gz IFBXPPGHDLXSJB-FGYAAKKASA-N 2 0 336.520 3.053 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C2CC2)cc1 ZINC000057704868 454141636 /nfs/dbraw/zinc/14/16/36/454141636.db2.gz VXKHQTNKKUFXJE-INIZCTEOSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728345 454183544 /nfs/dbraw/zinc/18/35/44/454183544.db2.gz LRQBCJIKZYFKAG-XJKCOSOUSA-N 2 0 348.878 3.251 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000130548022 454205231 /nfs/dbraw/zinc/20/52/31/454205231.db2.gz BLGQQPNEHKBVBO-INIZCTEOSA-N 2 0 328.460 3.157 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096003529 454260380 /nfs/dbraw/zinc/26/03/80/454260380.db2.gz YKDVPLKSZMDAST-RXVVDRJESA-N 3 0 329.532 3.219 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC(C)(C)C ZINC000120235288 454275924 /nfs/dbraw/zinc/27/59/24/454275924.db2.gz VKLOGYLSFVAINL-SJORKVTESA-N 2 0 345.531 3.454 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000060335587 454278618 /nfs/dbraw/zinc/27/86/18/454278618.db2.gz ZNIXKLCXSILNAR-IBGZPJMESA-N 2 0 329.488 3.485 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234851 454296280 /nfs/dbraw/zinc/29/62/80/454296280.db2.gz ITQQGKVKPYCQIC-UMVBOHGHSA-N 2 0 330.394 3.446 20 0 EGADRP Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000090520078 454314695 /nfs/dbraw/zinc/31/46/95/454314695.db2.gz XZMVPZCJTYZXNW-UWJYYQICSA-N 2 0 342.483 3.320 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1F ZINC000090920042 454351769 /nfs/dbraw/zinc/35/17/69/454351769.db2.gz PUNBHBQOTKVPKS-UHFFFAOYSA-N 2 0 348.491 3.102 20 0 EGADRP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937312 454352673 /nfs/dbraw/zinc/35/26/73/454352673.db2.gz DXGYMUYNDNVJDM-INIZCTEOSA-N 2 0 343.471 3.190 20 0 EGADRP Cc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000120858742 454357101 /nfs/dbraw/zinc/35/71/01/454357101.db2.gz XTJYVDMOMSYBFC-FQEVSTJZSA-N 2 0 344.478 3.366 20 0 EGADRP CC[NH+](CC)[C@H](CNC1CC[NH+](Cc2cccnc2)CC1)CC(C)C ZINC000132941229 454379811 /nfs/dbraw/zinc/37/98/11/454379811.db2.gz PSBSOUWRGXJMHA-NRFANRHFSA-N 2 0 346.563 3.392 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000121055634 454385547 /nfs/dbraw/zinc/38/55/47/454385547.db2.gz DXYDOOXTNYOXID-ZWKOTPCHSA-N 2 0 341.499 3.481 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000047978473 454428288 /nfs/dbraw/zinc/42/82/88/454428288.db2.gz HHCRKYMTDBYGPG-FQEVSTJZSA-N 2 0 348.531 3.097 20 0 EGADRP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000091336485 454429286 /nfs/dbraw/zinc/42/92/86/454429286.db2.gz DCHQYZMKJDFYLC-UYAOXDASSA-N 2 0 334.504 3.219 20 0 EGADRP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000097376334 454434207 /nfs/dbraw/zinc/43/42/07/454434207.db2.gz MEZWMNWDJYIFIK-DNVCBOLYSA-N 2 0 344.528 3.382 20 0 EGADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143009 454540229 /nfs/dbraw/zinc/54/02/29/454540229.db2.gz QXLBGZCQTORBOY-GOSISDBHSA-N 2 0 345.531 3.087 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000104318535 454581157 /nfs/dbraw/zinc/58/11/57/454581157.db2.gz LIRJANQBTULQIA-IBGZPJMESA-N 2 0 329.488 3.138 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000092746333 454624216 /nfs/dbraw/zinc/62/42/16/454624216.db2.gz WZRQGHGNPGTBAH-PXNSSMCTSA-N 2 0 345.531 3.136 20 0 EGADRP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123505164 454645019 /nfs/dbraw/zinc/64/50/19/454645019.db2.gz DJTMFLBDWLHHLV-UHFFFAOYSA-N 2 0 331.504 3.296 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000052208889 454661530 /nfs/dbraw/zinc/66/15/30/454661530.db2.gz NKAZMKJYIVIHIM-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000093088894 454680112 /nfs/dbraw/zinc/68/01/12/454680112.db2.gz IJWHOEPXGNUJAU-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000635004381 460648365 /nfs/dbraw/zinc/64/83/65/460648365.db2.gz DDPKOEYAOJCXNE-KKUMJFAQSA-N 2 0 337.895 3.473 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161664647 454712312 /nfs/dbraw/zinc/71/23/12/454712312.db2.gz ZSUHPQQPTABSFE-YOEHRIQHSA-N 2 0 341.902 3.403 20 0 EGADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2ccccc2n1 ZINC000635006982 460650459 /nfs/dbraw/zinc/65/04/59/460650459.db2.gz CTLNUJCFONGWOD-HNNXBMFYSA-N 2 0 333.439 3.213 20 0 EGADRP CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC)cc1 ZINC000124346842 454722157 /nfs/dbraw/zinc/72/21/57/454722157.db2.gz WLGYEVLSAIOTRH-NRFANRHFSA-N 2 0 347.547 3.400 20 0 EGADRP Cc1nccn1CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000136376445 454739126 /nfs/dbraw/zinc/73/91/26/454739126.db2.gz AMXOYBHEISJCMW-UHFFFAOYSA-N 2 0 340.515 3.426 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124778055 454769203 /nfs/dbraw/zinc/76/92/03/454769203.db2.gz GYPWWKSMYUJTCL-YWZLYKJASA-N 2 0 346.446 3.150 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1NC(C)=O ZINC000635010718 460653850 /nfs/dbraw/zinc/65/38/50/460653850.db2.gz KZXKTGDSDWFRLC-CZUORRHYSA-N 2 0 333.476 3.082 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)CCCO2 ZINC000635010407 460653996 /nfs/dbraw/zinc/65/39/96/460653996.db2.gz KNGPKUXCHHDOQC-LJQANCHMSA-N 2 0 326.415 3.475 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000162496493 454779717 /nfs/dbraw/zinc/77/97/17/454779717.db2.gz RMWFQBHDPNXCRJ-QGZVFWFLSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125289183 454812068 /nfs/dbraw/zinc/81/20/68/454812068.db2.gz PVCLGHPAFWEFFD-QGZVFWFLSA-N 3 0 333.520 3.010 20 0 EGADRP CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000112380504 454885330 /nfs/dbraw/zinc/88/53/30/454885330.db2.gz NXJWYCYZJDAKII-PXNSSMCTSA-N 2 0 334.504 3.048 20 0 EGADRP CCOc1ccccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000154531106 454904956 /nfs/dbraw/zinc/90/49/56/454904956.db2.gz OUASQYQHPATGQN-SFHVURJKSA-N 2 0 333.520 3.154 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)c1ccccc1 ZINC000165990973 454906729 /nfs/dbraw/zinc/90/67/29/454906729.db2.gz QFMSBJWOWYSDJT-RMVXJAJNSA-N 2 0 347.547 3.014 20 0 EGADRP COc1cc(CN2CCN(c3cc(C)ccn3)CC2)ccc1SC ZINC000166310001 454910861 /nfs/dbraw/zinc/91/08/61/454910861.db2.gz RWZLZVRYHKKVFS-UHFFFAOYSA-N 2 0 343.496 3.443 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150961175 454918691 /nfs/dbraw/zinc/91/86/91/454918691.db2.gz HBEQCGMITLSGKI-MRXNPFEDSA-N 2 0 329.488 3.418 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1F ZINC000150978654 454920828 /nfs/dbraw/zinc/92/08/28/454920828.db2.gz JQRFEDGDDFWFDY-GOSISDBHSA-N 2 0 325.447 3.032 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150978277 454920999 /nfs/dbraw/zinc/92/09/99/454920999.db2.gz HPPHBTICODELCO-GOSISDBHSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000150992649 454923305 /nfs/dbraw/zinc/92/33/05/454923305.db2.gz XUEMISJYPVTFAJ-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178077681 454933121 /nfs/dbraw/zinc/93/31/21/454933121.db2.gz KPUREXYSPFVRFC-ICSRJNTNSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000151166024 454947038 /nfs/dbraw/zinc/94/70/38/454947038.db2.gz MVNDBAPBVONSFK-YJBOKZPZSA-N 2 0 336.907 3.318 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000127394619 454960430 /nfs/dbraw/zinc/96/04/30/454960430.db2.gz MORRJAWMFLHJTO-RHSMWYFYSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000127565724 454977671 /nfs/dbraw/zinc/97/76/71/454977671.db2.gz HXZRPEZEPMKSBQ-ARFHVFGLSA-N 2 0 346.544 3.014 20 0 EGADRP CCC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000155273012 454981815 /nfs/dbraw/zinc/98/18/15/454981815.db2.gz NOSGTDHXHSAJJI-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CCC(CC)(CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000155342660 454989748 /nfs/dbraw/zinc/98/97/48/454989748.db2.gz USXHTAHNJWLUQH-UHFFFAOYSA-N 2 0 332.532 3.472 20 0 EGADRP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000151491478 454992653 /nfs/dbraw/zinc/99/26/53/454992653.db2.gz OQNIKYSCAMROBV-INIZCTEOSA-N 2 0 329.488 3.484 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000155673415 455029779 /nfs/dbraw/zinc/02/97/79/455029779.db2.gz ILXXEQHSJGCWMD-LPHOPBHVSA-N 2 0 331.504 3.052 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@H]2CCCO2)CC1 ZINC000151868661 455042036 /nfs/dbraw/zinc/04/20/36/455042036.db2.gz NPAQCPZKLRUQMX-AZUAARDMSA-N 2 0 345.531 3.266 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128299662 455043476 /nfs/dbraw/zinc/04/34/76/455043476.db2.gz CSXQMQODHMHBFS-QGZVFWFLSA-N 2 0 329.488 3.419 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(Cl)ccc1Cl ZINC000151877556 455043575 /nfs/dbraw/zinc/04/35/75/455043575.db2.gz XRZPEBUSODGFEZ-LBPRGKRZSA-N 2 0 331.287 3.348 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000151971456 455056335 /nfs/dbraw/zinc/05/63/35/455056335.db2.gz VDKWJVCUDDGWKW-IBGZPJMESA-N 2 0 331.504 3.046 20 0 EGADRP CCCC(O)(CCC)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000152048364 455065812 /nfs/dbraw/zinc/06/58/12/455065812.db2.gz FBKFMNDMAWWWCO-HKUYNNGSSA-N 2 0 333.520 3.213 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000623656474 460662725 /nfs/dbraw/zinc/66/27/25/460662725.db2.gz VEGFRIWFSMVPCI-OAHLLOKOSA-N 2 0 330.394 3.449 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccncc1 ZINC000156440743 455118280 /nfs/dbraw/zinc/11/82/80/455118280.db2.gz VWQUOTAREMFTCB-GHTZIAJQSA-N 2 0 338.499 3.111 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000152458894 455121874 /nfs/dbraw/zinc/12/18/74/455121874.db2.gz MCPGBGIXBUUHFP-FXAWDEMLSA-N 2 0 346.515 3.063 20 0 EGADRP Fc1cccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000156706330 455145517 /nfs/dbraw/zinc/14/55/17/455145517.db2.gz XGNFCFDJQXPZOV-LLVKDONJSA-N 2 0 327.241 3.162 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1F ZINC000172575409 455162541 /nfs/dbraw/zinc/16/25/41/455162541.db2.gz JMLLOONUMKXEOJ-MRXNPFEDSA-N 2 0 333.451 3.105 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000237347957 455176352 /nfs/dbraw/zinc/17/63/52/455176352.db2.gz KAOOLWXGFOWPFO-QGZVFWFLSA-N 2 0 343.515 3.339 20 0 EGADRP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237398316 455182341 /nfs/dbraw/zinc/18/23/41/455182341.db2.gz BHYUEASTMJZXII-XLIONFOSSA-N 2 0 339.483 3.103 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237520648 455191453 /nfs/dbraw/zinc/19/14/53/455191453.db2.gz CQTPZOCTCNVBSI-LAUBAEHRSA-N 2 0 343.515 3.209 20 0 EGADRP Clc1cnccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182950355 455197760 /nfs/dbraw/zinc/19/77/60/455197760.db2.gz LNDWOCGKHHRBOZ-UHFFFAOYSA-N 2 0 337.895 3.059 20 0 EGADRP COc1ccc(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000182951446 455198045 /nfs/dbraw/zinc/19/80/45/455198045.db2.gz MUIKWKXLAIXUQK-UHFFFAOYSA-N 2 0 346.515 3.062 20 0 EGADRP c1ccc2oc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nc2c1 ZINC000182958176 455198751 /nfs/dbraw/zinc/19/87/51/455198751.db2.gz BEQHLSIRTMNASN-UHFFFAOYSA-N 2 0 343.471 3.152 20 0 EGADRP C[NH+](C)CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000180608268 455207215 /nfs/dbraw/zinc/20/72/15/455207215.db2.gz PYEWMJYUPMWJQI-UHFFFAOYSA-N 2 0 332.492 3.134 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCC2 ZINC000181627302 455365217 /nfs/dbraw/zinc/36/52/17/455365217.db2.gz SGTGWMGUXGPDMS-OALUTQOASA-N 2 0 332.488 3.064 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCSC)CC1 ZINC000181639081 455366364 /nfs/dbraw/zinc/36/63/64/455366364.db2.gz PHDFWECWHJPSHK-HNNXBMFYSA-N 2 0 339.524 3.371 20 0 EGADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000181775699 455381229 /nfs/dbraw/zinc/38/12/29/455381229.db2.gz SPNTZOGOPRKIPL-YTQUADARSA-N 2 0 338.536 3.061 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)oc21 ZINC000245840180 455384222 /nfs/dbraw/zinc/38/42/22/455384222.db2.gz DGWPHUSAAPUKFV-RDJZCZTQSA-N 2 0 346.471 3.329 20 0 EGADRP C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H](O)Cc1ccccc1 ZINC000246335394 455473384 /nfs/dbraw/zinc/47/33/84/455473384.db2.gz GLWISBGDMKYHLL-UBBRYJJRSA-N 2 0 338.495 3.089 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000182294547 455482260 /nfs/dbraw/zinc/48/22/60/455482260.db2.gz ZHHQAYOZWUKUJY-FGZHOGPDSA-N 2 0 344.543 3.424 20 0 EGADRP C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246530089 455505530 /nfs/dbraw/zinc/50/55/30/455505530.db2.gz JMTRVANPRUSKAE-GUDVDZBRSA-N 2 0 349.563 3.362 20 0 EGADRP COc1ccccc1CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000182525255 455533087 /nfs/dbraw/zinc/53/30/87/455533087.db2.gz OZJRJCSZDSJTFU-UHFFFAOYSA-N 2 0 346.515 3.205 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000246915482 455535413 /nfs/dbraw/zinc/53/54/13/455535413.db2.gz GLRWERFVGCBRLL-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247030557 455546370 /nfs/dbraw/zinc/54/63/70/455546370.db2.gz YJIOKEYBOPQVQH-RBUKOAKNSA-N 2 0 330.472 3.168 20 0 EGADRP [NH3+]CC1(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000185358434 455548007 /nfs/dbraw/zinc/54/80/07/455548007.db2.gz DJYKRRCCXTTZAE-LJQANCHMSA-N 2 0 343.515 3.067 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000247076692 455555256 /nfs/dbraw/zinc/55/52/56/455555256.db2.gz NIWIRZWFTUENFH-MAUKXSAKSA-N 2 0 326.488 3.121 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CN1Cc1ccccc1 ZINC000247124497 455562626 /nfs/dbraw/zinc/56/26/26/455562626.db2.gz PYBMMICBIRLVPR-JUSBFGHESA-N 2 0 328.500 3.443 20 0 EGADRP FC(F)(F)C1CCC(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000185495156 455567924 /nfs/dbraw/zinc/56/79/24/455567924.db2.gz UCKWHMFCNVXXFM-UHFFFAOYSA-N 2 0 348.453 3.399 20 0 EGADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182785328 455586676 /nfs/dbraw/zinc/58/66/76/455586676.db2.gz NSDDVOUXJBUAEP-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000292206732 455595924 /nfs/dbraw/zinc/59/59/24/455595924.db2.gz YOBDRYRIGOYLLC-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708419 455601705 /nfs/dbraw/zinc/60/17/05/455601705.db2.gz CFJCKUNZRCHDPD-DEYYWGMASA-N 2 0 338.442 3.241 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000185872346 455639490 /nfs/dbraw/zinc/63/94/90/455639490.db2.gz IFAMKBQRJLIZNJ-KRWDZBQOSA-N 2 0 343.471 3.188 20 0 EGADRP C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000271464774 455647633 /nfs/dbraw/zinc/64/76/33/455647633.db2.gz KVNKZKFPXYCULG-MGPUTAFESA-N 2 0 346.446 3.150 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000271476505 455652388 /nfs/dbraw/zinc/65/23/88/455652388.db2.gz JSPVSYNLERCRDR-BYCMXARLSA-N 2 0 331.287 3.347 20 0 EGADRP CCCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247937451 455658150 /nfs/dbraw/zinc/65/81/50/455658150.db2.gz CPTCKJCUPFOURV-VQIMIIECSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000248021156 455670481 /nfs/dbraw/zinc/67/04/81/455670481.db2.gz NSCYDFIXAJYENQ-DLBZAZTESA-N 2 0 327.476 3.182 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192717149 455677269 /nfs/dbraw/zinc/67/72/69/455677269.db2.gz KBFSOHINBLSMCP-INIZCTEOSA-N 2 0 339.474 3.374 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000248130966 455685583 /nfs/dbraw/zinc/68/55/83/455685583.db2.gz OKOMLOHBQZNPGB-ZBFHGGJFSA-N 2 0 342.430 3.176 20 0 EGADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000248178049 455695939 /nfs/dbraw/zinc/69/59/39/455695939.db2.gz VYNQNELUEGPZTJ-YJBOKZPZSA-N 2 0 326.431 3.242 20 0 EGADRP COc1ccsc1[C@@H](C)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000186114608 455697005 /nfs/dbraw/zinc/69/70/05/455697005.db2.gz WSSDRXFFJOTVDR-OAHLLOKOSA-N 2 0 346.496 3.440 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@H]5CC[C@@H]4O5)[C@H]3C2)cc1 ZINC000248401962 455713846 /nfs/dbraw/zinc/71/38/46/455713846.db2.gz MNGBZGVUMXZYQD-ONCDUWEWSA-N 2 0 326.484 3.197 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923194 455718781 /nfs/dbraw/zinc/71/87/81/455718781.db2.gz JMPALJXEOZTAKB-YADHBBJMSA-N 2 0 338.495 3.356 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000268898183 455723227 /nfs/dbraw/zinc/72/32/27/455723227.db2.gz OAOUXFNQGXHUFG-IMFGXOCKSA-N 2 0 328.456 3.130 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000268898188 455723589 /nfs/dbraw/zinc/72/35/89/455723589.db2.gz OAOUXFNQGXHUFG-YVWKXTFCSA-N 2 0 328.456 3.130 20 0 EGADRP CO[C@H](C)[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000268905225 455726059 /nfs/dbraw/zinc/72/60/59/455726059.db2.gz GNZZMMKIWYDGFU-QZTJIDSGSA-N 2 0 334.504 3.071 20 0 EGADRP CC(C)c1nnc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292672431 455727893 /nfs/dbraw/zinc/72/78/93/455727893.db2.gz CISSADRJNWPLAC-KRWDZBQOSA-N 2 0 341.503 3.318 20 0 EGADRP COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000186283560 455733761 /nfs/dbraw/zinc/73/37/61/455733761.db2.gz VDXWFRSXFWLYPD-PBHICJAKSA-N 2 0 346.496 3.174 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186318648 455742225 /nfs/dbraw/zinc/74/22/25/455742225.db2.gz LEPHFNCOHBCJCF-HOTGVXAUSA-N 2 0 338.565 3.191 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000268995186 455757502 /nfs/dbraw/zinc/75/75/02/455757502.db2.gz XIWCSUGILAIHSB-QMAUXMRRSA-N 2 0 328.500 3.447 20 0 EGADRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1OC(C)C ZINC000278104335 455759516 /nfs/dbraw/zinc/75/95/16/455759516.db2.gz AMXRRRUEHOIZII-UHFFFAOYSA-N 2 0 332.488 3.446 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000271788295 455760791 /nfs/dbraw/zinc/76/07/91/455760791.db2.gz GEMZXBCMMOVSIM-UHFFFAOYSA-N 2 0 329.669 3.454 20 0 EGADRP Cc1ccc2ccccc2c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000269038209 455770784 /nfs/dbraw/zinc/77/07/84/455770784.db2.gz UQYKAVWDUZCERN-UHFFFAOYSA-N 2 0 326.484 3.427 20 0 EGADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000271815585 455772698 /nfs/dbraw/zinc/77/26/98/455772698.db2.gz BNGANRLYTJCITM-AQNXPRMDSA-N 2 0 326.484 3.330 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000249973081 455783488 /nfs/dbraw/zinc/78/34/88/455783488.db2.gz KOSFVPRLLNQKKB-XIYVOTBMSA-N 2 0 328.500 3.038 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000186519936 455785134 /nfs/dbraw/zinc/78/51/34/455785134.db2.gz VBEDHZGYSUVCGF-SFTDATJTSA-N 2 0 339.483 3.279 20 0 EGADRP COCCC[NH+]1CCC(N[C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194017381 455791670 /nfs/dbraw/zinc/79/16/70/455791670.db2.gz MTKXFSJEANEYKF-SFHVURJKSA-N 2 0 340.895 3.118 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(Br)c1 ZINC000271872507 455794236 /nfs/dbraw/zinc/79/42/36/455794236.db2.gz NCMQRKDBHPORDP-GFCCVEGCSA-N 2 0 339.277 3.370 20 0 EGADRP COCCSCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278311722 455813985 /nfs/dbraw/zinc/81/39/85/455813985.db2.gz BKHOIBUWGAJXAS-LJQANCHMSA-N 2 0 336.545 3.210 20 0 EGADRP CCN(C)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000253351563 455833413 /nfs/dbraw/zinc/83/34/13/455833413.db2.gz KWRLNTFAACJLER-AEFFLSMTSA-N 2 0 330.520 3.280 20 0 EGADRP CCC(=O)N1CC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000285407314 455838836 /nfs/dbraw/zinc/83/88/36/455838836.db2.gz XNEZRYSNVPQTPL-GPJFCIFZSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617001266 460697698 /nfs/dbraw/zinc/69/76/98/460697698.db2.gz LIGYQYGCKCUMKM-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209592 455877759 /nfs/dbraw/zinc/87/77/59/455877759.db2.gz PZCONSSUSVHLAL-FUHWJXTLSA-N 2 0 347.503 3.011 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744837 455907600 /nfs/dbraw/zinc/90/76/00/455907600.db2.gz YJDHPMPJUXZBRN-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307528 455909277 /nfs/dbraw/zinc/90/92/77/455909277.db2.gz IDFXZKZSRCJZRL-NSHGMRRFSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285769251 455911960 /nfs/dbraw/zinc/91/19/60/455911960.db2.gz SRODUHMTVLQJQY-HZPDHXFCSA-N 2 0 345.487 3.180 20 0 EGADRP Cc1nccn1CCC[NH2+][C@H](C)c1ncc(Br)s1 ZINC000270248559 455912135 /nfs/dbraw/zinc/91/21/35/455912135.db2.gz RORPBSVIQDHUQA-SECBINFHSA-N 2 0 329.267 3.151 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1-n1ccnn1 ZINC000285937337 455945142 /nfs/dbraw/zinc/94/51/42/455945142.db2.gz FNJVJYZLFWVTKG-MRXNPFEDSA-N 2 0 339.487 3.325 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000272508990 455975549 /nfs/dbraw/zinc/97/55/49/455975549.db2.gz MIKZUGXESZCJRM-UWJYYQICSA-N 2 0 345.506 3.235 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1 ZINC000286097822 455976314 /nfs/dbraw/zinc/97/63/14/455976314.db2.gz NKORIHHVFPSSCL-LJQANCHMSA-N 2 0 331.504 3.262 20 0 EGADRP CC[C@@H](C)NC(=O)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286165594 455992408 /nfs/dbraw/zinc/99/24/08/455992408.db2.gz QBVHUASLLKZPNI-QHGAOEGBSA-N 2 0 345.531 3.324 20 0 EGADRP Cc1noc(C)c1CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272559490 455994445 /nfs/dbraw/zinc/99/44/45/455994445.db2.gz UGFKTQUEBDTLSS-HNAYVOBHSA-N 2 0 327.472 3.334 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c(C)c1OC ZINC000286181240 455995204 /nfs/dbraw/zinc/99/52/04/455995204.db2.gz QWJNWVUCXPXUKH-VBQJREDUSA-N 2 0 332.488 3.158 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000272588828 456003671 /nfs/dbraw/zinc/00/36/71/456003671.db2.gz RQXBOJWONGILBR-IYWMVGAKSA-N 2 0 340.467 3.122 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000272632434 456019951 /nfs/dbraw/zinc/01/99/51/456019951.db2.gz YCXTYHPZCNOXIX-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000272642735 456022821 /nfs/dbraw/zinc/02/28/21/456022821.db2.gz ZIRXPGNMHGVRAW-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000262476886 456039701 /nfs/dbraw/zinc/03/97/01/456039701.db2.gz JQJGJPFVODYHTC-INIZCTEOSA-N 2 0 342.270 3.007 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000262614824 456046924 /nfs/dbraw/zinc/04/69/24/456046924.db2.gz CMJBEDDAZUCVME-XLIONFOSSA-N 2 0 339.483 3.022 20 0 EGADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272730672 456054519 /nfs/dbraw/zinc/05/45/19/456054519.db2.gz IJVZIFXBNRRKHN-PXNSSMCTSA-N 2 0 339.483 3.198 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)c2coc(C[NH3+])c2)CCCC1)c1ccccc1 ZINC000262823753 456060772 /nfs/dbraw/zinc/06/07/72/456060772.db2.gz ZDXMKJBVADDCNK-OAHLLOKOSA-N 2 0 341.455 3.132 20 0 EGADRP Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272800954 456073234 /nfs/dbraw/zinc/07/32/34/456073234.db2.gz ZQKASVPSIUTGJN-MAUKXSAKSA-N 2 0 330.497 3.474 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)CC3 ZINC000272905647 456107383 /nfs/dbraw/zinc/10/73/83/456107383.db2.gz KWGKBDMPPPRWME-ZMOMAAQPSA-N 2 0 339.483 3.106 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000227330545 456113794 /nfs/dbraw/zinc/11/37/94/456113794.db2.gz POWJVUFREWYTTL-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000263302300 456122633 /nfs/dbraw/zinc/12/26/33/456122633.db2.gz ZSPDFDHODUEHKQ-QRQLOZEOSA-N 2 0 331.504 3.093 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000301762334 456207742 /nfs/dbraw/zinc/20/77/42/456207742.db2.gz NESUWFXNJLJNAJ-IRXDYDNUSA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237052910 456225093 /nfs/dbraw/zinc/22/50/93/456225093.db2.gz RBIHKTKAYJSRPF-PKOBYXMFSA-N 2 0 345.531 3.483 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)CC1 ZINC000237089914 456229598 /nfs/dbraw/zinc/22/95/98/456229598.db2.gz TWIYUCMJRFUSQP-UHFFFAOYSA-N 2 0 348.494 3.205 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000237084998 456230527 /nfs/dbraw/zinc/23/05/27/456230527.db2.gz DPCILXPREVTPHM-TXPKVOOTSA-N 2 0 331.504 3.051 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C1([NH3+])CCCC1)C1CCCCC1 ZINC000237151095 456238653 /nfs/dbraw/zinc/23/86/53/456238653.db2.gz ORSANNWXVFIILJ-UHFFFAOYSA-N 2 0 343.515 3.339 20 0 EGADRP C[NH2+]CCCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000237148317 456239085 /nfs/dbraw/zinc/23/90/85/456239085.db2.gz JVFQRDZOYPAMKD-UHFFFAOYSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc(C2CC2)no1 ZINC000297693355 456276207 /nfs/dbraw/zinc/27/62/07/456276207.db2.gz PYEOFVOERGVSGB-KRWDZBQOSA-N 2 0 341.459 3.298 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000290265977 456277050 /nfs/dbraw/zinc/27/70/50/456277050.db2.gz XYGXKWLAHOEXMI-SJLPKXTDSA-N 2 0 329.488 3.375 20 0 EGADRP CO[C@H](C)c1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000297754547 456287177 /nfs/dbraw/zinc/28/71/77/456287177.db2.gz UMJGOASQYROWNS-CYBMUJFWSA-N 2 0 332.473 3.004 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1CCn2ccnc21 ZINC000297853884 456309168 /nfs/dbraw/zinc/30/91/68/456309168.db2.gz SZYBOANZAQHRMR-IBGZPJMESA-N 2 0 336.439 3.343 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000275879840 456339448 /nfs/dbraw/zinc/33/94/48/456339448.db2.gz PFHFIKYQKYZLBC-QUCCMNQESA-N 2 0 341.503 3.039 20 0 EGADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352823804 456340049 /nfs/dbraw/zinc/34/00/49/456340049.db2.gz LKRZBTJFZIYMNK-NRFANRHFSA-N 2 0 344.499 3.174 20 0 EGADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337327287 456346314 /nfs/dbraw/zinc/34/63/14/456346314.db2.gz DBAFNQNFSKSQSD-KURKYZTESA-N 2 0 334.504 3.199 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000340276530 456356770 /nfs/dbraw/zinc/35/67/70/456356770.db2.gz GGXYSTUQIUJZKK-HLLBOEOZSA-N 2 0 330.463 3.243 20 0 EGADRP C[C@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000298144467 456374746 /nfs/dbraw/zinc/37/47/46/456374746.db2.gz QZXXGPCDMVDYOE-NQIIRXRSSA-N 2 0 327.516 3.067 20 0 EGADRP C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000337584533 456401406 /nfs/dbraw/zinc/40/14/06/456401406.db2.gz DROKVCJLRBCOOV-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1ccc2c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc(O)c2n1 ZINC000352922341 456414893 /nfs/dbraw/zinc/41/48/93/456414893.db2.gz QHRMUYKZZBIIBI-SJPCQFCGSA-N 2 0 325.456 3.306 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479852 456484804 /nfs/dbraw/zinc/48/48/04/456484804.db2.gz NGDOKOUFRXFLIU-TZIWHRDSSA-N 2 0 344.547 3.148 20 0 EGADRP Cc1cccn2c(C[NH2+]Cc3ccccc3Cn3ccnc3)cnc12 ZINC000343160587 456442253 /nfs/dbraw/zinc/44/22/53/456442253.db2.gz YGWCSRBIDXQIAW-UHFFFAOYSA-N 2 0 331.423 3.177 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000282257712 456459241 /nfs/dbraw/zinc/45/92/41/456459241.db2.gz QSBTWYOXECNOKV-SFTDATJTSA-N 2 0 342.527 3.490 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cc[nH]c(=O)c1 ZINC000340449576 456468342 /nfs/dbraw/zinc/46/83/42/456468342.db2.gz NCCFJQCFUUEIMC-LSDHHAIUSA-N 2 0 329.444 3.139 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1(C)C ZINC000282498954 456533300 /nfs/dbraw/zinc/53/33/00/456533300.db2.gz YAELPRAJJNNSMI-OALUTQOASA-N 2 0 333.495 3.077 20 0 EGADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282498286 456533405 /nfs/dbraw/zinc/53/34/05/456533405.db2.gz RQEZTSKUMSKZKY-FQEVSTJZSA-N 2 0 329.532 3.361 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1(C)C ZINC000282512891 456537990 /nfs/dbraw/zinc/53/79/90/456537990.db2.gz XONNHYDXBNPBQT-UHFFFAOYSA-N 2 0 327.472 3.062 20 0 EGADRP COc1ccc(F)cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000291197220 456561779 /nfs/dbraw/zinc/56/17/79/456561779.db2.gz MPHQXPHTVWBVPD-UHFFFAOYSA-N 2 0 329.419 3.236 20 0 EGADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(Cl)c1 ZINC000353224929 456571752 /nfs/dbraw/zinc/57/17/52/456571752.db2.gz VOOYECYPVBKJCT-UHFFFAOYSA-N 2 0 328.909 3.266 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291253654 456579886 /nfs/dbraw/zinc/57/98/86/456579886.db2.gz POCSOIMMJFHXCK-LJQANCHMSA-N 2 0 340.467 3.500 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000343439964 456622812 /nfs/dbraw/zinc/62/28/12/456622812.db2.gz GMIFWZZLGNMXNH-HSALFYBXSA-N 2 0 344.547 3.032 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC4CCOCC4)C3)C2)cc1 ZINC000340692035 456628850 /nfs/dbraw/zinc/62/88/50/456628850.db2.gz RIMWFPCEJYXLJT-OAQYLSRUSA-N 2 0 328.500 3.401 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)cc1)C(C)C ZINC000343455460 456632536 /nfs/dbraw/zinc/63/25/36/456632536.db2.gz PXVRQQCXAGYEHI-VQIMIIECSA-N 2 0 331.504 3.129 20 0 EGADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000337991572 456641728 /nfs/dbraw/zinc/64/17/28/456641728.db2.gz XKAOHKKTIPJPST-WMLDXEAASA-N 2 0 344.421 3.073 20 0 EGADRP O[C@@H]1CCC[C@]1(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000277012500 456652885 /nfs/dbraw/zinc/65/28/85/456652885.db2.gz CELICMMBLCHHBX-UWHLTILDSA-N 2 0 346.490 3.116 20 0 EGADRP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328215128 456710992 /nfs/dbraw/zinc/71/09/92/456710992.db2.gz JSFYFQYHGSHHAB-WMQCIHAUSA-N 2 0 336.479 3.490 20 0 EGADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343586234 456726949 /nfs/dbraw/zinc/72/69/49/456726949.db2.gz YYPTXQQMMJBUFK-HKUYNNGSSA-N 2 0 337.552 3.220 20 0 EGADRP CCCn1ccnc1CCCN(C)Cc1nccn1CC(F)(F)F ZINC000277222162 456730500 /nfs/dbraw/zinc/73/05/00/456730500.db2.gz OAYJFUMMSIELBQ-UHFFFAOYSA-N 2 0 343.397 3.117 20 0 EGADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000353534050 456739776 /nfs/dbraw/zinc/73/97/76/456739776.db2.gz SGEYWMIFMNRFIA-HNNXBMFYSA-N 2 0 346.393 3.083 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000283270558 456748718 /nfs/dbraw/zinc/74/87/18/456748718.db2.gz WQBOVQISFRBHMO-JOCHJYFZSA-N 2 0 349.522 3.488 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553603 456754779 /nfs/dbraw/zinc/75/47/79/456754779.db2.gz SNZIFYYAHYOHDU-MOPGFXCFSA-N 2 0 344.499 3.363 20 0 EGADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343692110 456767852 /nfs/dbraw/zinc/76/78/52/456767852.db2.gz AQWYUPLXAKAJOG-IIBYNOLFSA-N 2 0 345.506 3.303 20 0 EGADRP CC(C)SCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338321645 456769902 /nfs/dbraw/zinc/76/99/02/456769902.db2.gz UWICOZLZFPTJRD-CALCHBBNSA-N 2 0 328.566 3.339 20 0 EGADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000353633058 456816697 /nfs/dbraw/zinc/81/66/97/456816697.db2.gz VSWFSDYLYJRHDL-GFCCVEGCSA-N 2 0 342.530 3.013 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1 ZINC000344421153 456826598 /nfs/dbraw/zinc/82/65/98/456826598.db2.gz HANIZBVCCOSARV-ROUUACIJSA-N 2 0 345.531 3.473 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292013695 456829986 /nfs/dbraw/zinc/82/99/86/456829986.db2.gz BSGGSSVXCFAOFE-IAGOWNOFSA-N 2 0 331.504 3.159 20 0 EGADRP CC/C=C\CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000341316977 456843652 /nfs/dbraw/zinc/84/36/52/456843652.db2.gz KDDBCGMPZPEYLF-ARJAWSKDSA-N 2 0 335.536 3.047 20 0 EGADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169502 456875577 /nfs/dbraw/zinc/87/55/77/456875577.db2.gz OAQIEXWNVPZLBX-KSZLIROESA-N 2 0 345.531 3.407 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000345016327 456897791 /nfs/dbraw/zinc/89/77/91/456897791.db2.gz JIAKYKYKNDUKRX-NSHGMRRFSA-N 2 0 343.515 3.121 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000349276890 456929133 /nfs/dbraw/zinc/92/91/33/456929133.db2.gz KOGCHKNNGDQENT-SFHVURJKSA-N 2 0 345.531 3.076 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000353948365 456975911 /nfs/dbraw/zinc/97/59/11/456975911.db2.gz UGQNHUJGDPJGQZ-YPMHNXCESA-N 2 0 332.366 3.024 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000353953017 456977338 /nfs/dbraw/zinc/97/73/38/456977338.db2.gz XLCNNPGTDIKFCD-MJGOQNOKSA-N 2 0 348.535 3.017 20 0 EGADRP CCC1(C[NH2+][C@H](C)CC(=O)N(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000362637092 457018308 /nfs/dbraw/zinc/01/83/08/457018308.db2.gz GQRYLHRNKPMUQR-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000354081033 457049334 /nfs/dbraw/zinc/04/93/34/457049334.db2.gz DKAXNMCBYIKBCE-OAHLLOKOSA-N 2 0 325.522 3.199 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000362711399 457055004 /nfs/dbraw/zinc/05/50/04/457055004.db2.gz KQBCAXPWKRMSHG-LPHOPBHVSA-N 2 0 329.488 3.199 20 0 EGADRP COc1ccc(-n2c(CNCC3([NH3+])CCC3)nc3ccccc32)cc1 ZINC000342100369 457108899 /nfs/dbraw/zinc/10/88/99/457108899.db2.gz JZAUILFGJKLSQH-UHFFFAOYSA-N 2 0 336.439 3.005 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219775 457137582 /nfs/dbraw/zinc/13/75/82/457137582.db2.gz DICVXNTWQPQUMK-ROUUACIJSA-N 2 0 331.504 3.355 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+](C)C(C)C)cc1)C1CC1 ZINC000356748735 457147875 /nfs/dbraw/zinc/14/78/75/457147875.db2.gz WHIHMFFMTUQGKF-MRXNPFEDSA-N 2 0 331.504 3.129 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342219800 457174715 /nfs/dbraw/zinc/17/47/15/457174715.db2.gz NWBUXDZUGWBMDD-IYBDPMFKSA-N 2 0 329.488 3.135 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCCC(C)C ZINC000346842448 457183179 /nfs/dbraw/zinc/18/31/79/457183179.db2.gz HUZLUQIXBFRRHX-RCCFBDPRSA-N 2 0 332.488 3.289 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000356861683 457183923 /nfs/dbraw/zinc/18/39/23/457183923.db2.gz HTKZLCKPJOBFLY-TZMCWYRMSA-N 2 0 346.393 3.066 20 0 EGADRP COC[C@@H](CC(C)C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000360056102 457230038 /nfs/dbraw/zinc/23/00/38/457230038.db2.gz QKRZPHMIAJODOC-NHCUHLMSSA-N 2 0 347.547 3.016 20 0 EGADRP c1cc2cccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c2[nH]1 ZINC000356950825 457239063 /nfs/dbraw/zinc/23/90/63/457239063.db2.gz XUJOEWKJAJPPPQ-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1(C)CC1 ZINC000360429781 457310014 /nfs/dbraw/zinc/31/00/14/457310014.db2.gz UJGOTSKVLKDSKY-IBGZPJMESA-N 2 0 329.532 3.363 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357088126 457315029 /nfs/dbraw/zinc/31/50/29/457315029.db2.gz OCTGWECRIZPPFS-WMLDXEAASA-N 2 0 326.444 3.119 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354861205 457325165 /nfs/dbraw/zinc/32/51/65/457325165.db2.gz MWRZOQOTGUJLRS-OALUTQOASA-N 2 0 339.568 3.072 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000352494860 457413597 /nfs/dbraw/zinc/41/35/97/457413597.db2.gz GIEANFYELNXTCD-HNNXBMFYSA-N 2 0 334.851 3.136 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374075576 457470207 /nfs/dbraw/zinc/47/02/07/457470207.db2.gz VIDCCLBRYRDPRF-SFHVURJKSA-N 2 0 343.515 3.438 20 0 EGADRP CC(C)[NH+](CCNC(=O)c1ccccc1CC1CC[NH2+]CC1)C(C)C ZINC000342713781 457475044 /nfs/dbraw/zinc/47/50/44/457475044.db2.gz TXCHDHIXNWRFCE-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000397659502 457490292 /nfs/dbraw/zinc/49/02/92/457490292.db2.gz ZLXOQSIPXKNEPW-UHFFFAOYSA-N 2 0 337.678 3.193 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000397889662 457492426 /nfs/dbraw/zinc/49/24/26/457492426.db2.gz PCHBZBRGDVXFPY-PKOBYXMFSA-N 2 0 347.503 3.013 20 0 EGADRP COc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000399023803 457504232 /nfs/dbraw/zinc/50/42/32/457504232.db2.gz GIBOUWTXIPNWQX-UHFFFAOYSA-N 2 0 331.485 3.154 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342758517 457504356 /nfs/dbraw/zinc/50/43/56/457504356.db2.gz UICISIKMECLSTE-ZWOKBUDYSA-N 2 0 343.515 3.065 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000364204857 457526396 /nfs/dbraw/zinc/52/63/96/457526396.db2.gz BYLLUPYQXJYTCB-SFHVURJKSA-N 2 0 339.483 3.205 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000374218660 457528808 /nfs/dbraw/zinc/52/88/08/457528808.db2.gz UEGXRSMCOXEHBL-MOPGFXCFSA-N 2 0 344.547 3.032 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1OC(F)F ZINC000404444555 457543010 /nfs/dbraw/zinc/54/30/10/457543010.db2.gz WUPXXUTVHYMPIY-TZMCWYRMSA-N 2 0 328.403 3.246 20 0 EGADRP CO[C@H](C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000425417380 457543796 /nfs/dbraw/zinc/54/37/96/457543796.db2.gz HOWDNNWAWHRZAR-HXUWFJFHSA-N 2 0 328.500 3.400 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000357470394 457548663 /nfs/dbraw/zinc/54/86/63/457548663.db2.gz HNQJDMCXZXVZTI-HNNXBMFYSA-N 2 0 331.504 3.429 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000374284673 457568715 /nfs/dbraw/zinc/56/87/15/457568715.db2.gz QSNHICUWENUGAF-UHFFFAOYSA-N 2 0 333.520 3.216 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000374305463 457577793 /nfs/dbraw/zinc/57/77/93/457577793.db2.gz JWOYLJGTIKMVEP-PXNSSMCTSA-N 2 0 331.504 3.198 20 0 EGADRP Cc1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)s1 ZINC000356445622 457629372 /nfs/dbraw/zinc/62/93/72/457629372.db2.gz JBTOJYQSRIAASW-UHFFFAOYSA-N 2 0 337.533 3.084 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425928274 457653280 /nfs/dbraw/zinc/65/32/80/457653280.db2.gz ROJRTCNTTIJYNZ-IAGOWNOFSA-N 2 0 329.488 3.418 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1)C(C)C ZINC000374622468 457674897 /nfs/dbraw/zinc/67/48/97/457674897.db2.gz LHIWWUSILHAWEK-UFYCRDLUSA-N 2 0 343.515 3.116 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000357789084 457689808 /nfs/dbraw/zinc/68/98/08/457689808.db2.gz JPUYHWLZOYQFAT-UWJYYQICSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000358026549 457743795 /nfs/dbraw/zinc/74/37/95/457743795.db2.gz QLTPVMDYDQXXMK-YLJYHZDGSA-N 2 0 331.504 3.231 20 0 EGADRP CCOC(=O)CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433066412 457748386 /nfs/dbraw/zinc/74/83/86/457748386.db2.gz HEWKCTKIVCPXIS-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000433231958 457784914 /nfs/dbraw/zinc/78/49/14/457784914.db2.gz ZKWFQXMCTCWNDF-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443604995 457786059 /nfs/dbraw/zinc/78/60/59/457786059.db2.gz UHDPJMXTVNJJPP-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443607382 457788012 /nfs/dbraw/zinc/78/80/12/457788012.db2.gz ZVPGAOAWXCEDEF-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000433317744 457809203 /nfs/dbraw/zinc/80/92/03/457809203.db2.gz LYUOFNJVRHHXTN-HXUWFJFHSA-N 2 0 347.547 3.260 20 0 EGADRP CC(C)CN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000433344892 457816661 /nfs/dbraw/zinc/81/66/61/457816661.db2.gz URRUFRAGSKBTGL-FQEVSTJZSA-N 2 0 345.531 3.258 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1O ZINC000426417519 457827241 /nfs/dbraw/zinc/82/72/41/457827241.db2.gz BAZQJSLYGDOGNE-DLBZAZTESA-N 2 0 334.504 3.434 20 0 EGADRP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000358284910 457910598 /nfs/dbraw/zinc/91/05/98/457910598.db2.gz FTBFLJKHQXFXMQ-SLFFLAALSA-N 2 0 344.499 3.040 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC12CCOCC2)N1CCc2ccccc2C1 ZINC000367079684 457926785 /nfs/dbraw/zinc/92/67/85/457926785.db2.gz HOBNCMURNSGTRK-LJQANCHMSA-N 2 0 328.500 3.372 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC000411620662 457930317 /nfs/dbraw/zinc/93/03/17/457930317.db2.gz QGGRHRKEXJCFEY-LPHOPBHVSA-N 2 0 330.472 3.056 20 0 EGADRP COC[C@]1(C)CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@](C)(COC)C2)C1 ZINC000411773448 457976266 /nfs/dbraw/zinc/97/62/66/457976266.db2.gz LWNJMBFJYFCNNO-OWZKRDHZSA-N 2 0 340.552 3.120 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(C)(C)c3ccccc3)C2)CC1 ZINC000367751842 457979121 /nfs/dbraw/zinc/97/91/21/457979121.db2.gz VAPDEXPRWBFIIF-FQEVSTJZSA-N 2 0 329.532 3.065 20 0 EGADRP C[C@@H]1C[N@H+](CCSC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375599382 457984568 /nfs/dbraw/zinc/98/45/68/457984568.db2.gz QEWIEBPWFMEXND-MJGOQNOKSA-N 2 0 339.593 3.010 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504151 458042942 /nfs/dbraw/zinc/04/29/42/458042942.db2.gz HHGOKGGVZASROA-CQSZACIVSA-N 2 0 335.879 3.051 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000434783159 458050919 /nfs/dbraw/zinc/05/09/19/458050919.db2.gz KLMZCDIEDDUWKM-NVXWUHKLSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000375903588 458116848 /nfs/dbraw/zinc/11/68/48/458116848.db2.gz IFZSZEGPCIPLRH-HXUWFJFHSA-N 2 0 349.950 3.373 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435376967 458125967 /nfs/dbraw/zinc/12/59/67/458125967.db2.gz WUKJXEIHWJNLOQ-IEBWSBKVSA-N 2 0 339.483 3.447 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412275785 458151844 /nfs/dbraw/zinc/15/18/44/458151844.db2.gz FEYHAHYGJWVLEU-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP C[C@@H]1C[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH2+]1 ZINC000358695353 458156856 /nfs/dbraw/zinc/15/68/56/458156856.db2.gz SPKIZLTVJYEFSR-SJLPKXTDSA-N 2 0 329.488 3.042 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000376017932 458164154 /nfs/dbraw/zinc/16/41/54/458164154.db2.gz GSASUXVXSPRLST-XNIRIUNOSA-N 2 0 339.524 3.285 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cn3cccnc3n2)CC1)CC(C)C ZINC000358752668 458192732 /nfs/dbraw/zinc/19/27/32/458192732.db2.gz QGHDBSKXTSZORL-UHFFFAOYSA-N 2 0 343.519 3.309 20 0 EGADRP CC(C)(C)C(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000435741027 458194509 /nfs/dbraw/zinc/19/45/09/458194509.db2.gz NFOKWWMEZUECBT-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP CCOC1(C)CC[NH+](C/C=C\C[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000428714462 458196779 /nfs/dbraw/zinc/19/67/79/458196779.db2.gz SROIKVWNGOKOMB-FPLPWBNLSA-N 2 0 338.536 3.325 20 0 EGADRP CCOc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000362502612 458224797 /nfs/dbraw/zinc/22/47/97/458224797.db2.gz MNPGKIXNAOXJPP-SJLPKXTDSA-N 2 0 347.503 3.219 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2s1 ZINC000446816271 458230785 /nfs/dbraw/zinc/23/07/85/458230785.db2.gz BCJJCOGKYKTLLR-GDBMZVCRSA-N 2 0 345.512 3.139 20 0 EGADRP Cc1cnccc1OC1CCN(Cc2ccc([S@](C)=O)cc2)CC1 ZINC000447093980 458265531 /nfs/dbraw/zinc/26/55/31/458265531.db2.gz OAEJPBGFXNTSMB-DEOSSOPVSA-N 2 0 344.480 3.171 20 0 EGADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000436295920 458283761 /nfs/dbraw/zinc/28/37/61/458283761.db2.gz IFEBBIHUTIVHGF-VQIMIIECSA-N 2 0 331.504 3.408 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459383084 458353162 /nfs/dbraw/zinc/35/31/62/458353162.db2.gz FBVDYHRULUBBQR-GJZGRUSLSA-N 2 0 330.501 3.298 20 0 EGADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459408915 458360970 /nfs/dbraw/zinc/36/09/70/458360970.db2.gz IWGSEIFPXNDUCI-VQIMIIECSA-N 2 0 331.504 3.481 20 0 EGADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Oc1ccc(F)cc1 ZINC000459416800 458363557 /nfs/dbraw/zinc/36/35/57/458363557.db2.gz CYGSDQXNIYWLCQ-OAHLLOKOSA-N 2 0 329.419 3.247 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)[C@H]1SC ZINC000459424093 458365761 /nfs/dbraw/zinc/36/57/61/458365761.db2.gz KUBGMYNKGXIMCN-ABHMUUKNSA-N 2 0 348.556 3.396 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccn1 ZINC000459455037 458377828 /nfs/dbraw/zinc/37/78/28/458377828.db2.gz FWYNIQVCNCNLFU-UHFFFAOYSA-N 2 0 333.863 3.008 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459462319 458378353 /nfs/dbraw/zinc/37/83/53/458378353.db2.gz KVMQKWDDHXEEDI-MSOLQXFVSA-N 3 0 342.531 3.293 20 0 EGADRP c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(C[NH+]2CCCC2)c1 ZINC000373221960 458434281 /nfs/dbraw/zinc/43/42/81/458434281.db2.gz ADTNOPQGQXWJLW-ZCNNSNEGSA-N 2 0 326.484 3.330 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(I)cc1 ZINC000423455645 458435695 /nfs/dbraw/zinc/43/56/95/458435695.db2.gz MSVZKENSIMCSIO-WDEREUQCSA-N 2 0 332.229 3.069 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423455878 458435778 /nfs/dbraw/zinc/43/57/78/458435778.db2.gz FVKYCTWARRGBKM-BMOCKDEFSA-N 2 0 332.463 3.399 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000423471564 458437364 /nfs/dbraw/zinc/43/73/64/458437364.db2.gz MNBZYOYBOGFBCR-QLFBSQMISA-N 2 0 334.460 3.249 20 0 EGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423477985 458438720 /nfs/dbraw/zinc/43/87/20/458438720.db2.gz STDPFNFLGOFANY-XEYPJELSSA-N 2 0 334.479 3.314 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661589 458439489 /nfs/dbraw/zinc/43/94/89/458439489.db2.gz MOSNMQJWHFXITI-LSDHHAIUSA-N 2 0 334.426 3.152 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423494834 458443429 /nfs/dbraw/zinc/44/34/29/458443429.db2.gz BCCAYSKNKOEEQO-VQIMIIECSA-N 2 0 325.456 3.474 20 0 EGADRP CC1(C(=O)Nc2ccc(C[NH3+])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000423554535 458456810 /nfs/dbraw/zinc/45/68/10/458456810.db2.gz WSDPHPJCKBMHSY-UHFFFAOYSA-N 2 0 337.467 3.386 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000459725060 458458159 /nfs/dbraw/zinc/45/81/59/458458159.db2.gz FNVHQJIRIIZNQJ-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459726043 458458563 /nfs/dbraw/zinc/45/85/63/458458563.db2.gz BFFYXRPNHPSEMF-AEFFLSMTSA-N 2 0 334.504 3.346 20 0 EGADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423608503 458462769 /nfs/dbraw/zinc/46/27/69/458462769.db2.gz JXAPLUDSLJVDOK-MGPUTAFESA-N 2 0 337.467 3.055 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000430585449 458466253 /nfs/dbraw/zinc/46/62/53/458466253.db2.gz SKDJNPYLEKBEOK-AVGNSLFASA-N 2 0 343.393 3.092 20 0 EGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000430603520 458470545 /nfs/dbraw/zinc/47/05/45/458470545.db2.gz NVUUVTMQTQTQCD-HZPDHXFCSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1cccc2ccccc21 ZINC000430614549 458471887 /nfs/dbraw/zinc/47/18/87/458471887.db2.gz ZECFNJCQHSIIBC-BEFAXECRSA-N 2 0 325.456 3.370 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000373434076 458492145 /nfs/dbraw/zinc/49/21/45/458492145.db2.gz BOHVJQXMXODUCO-RXVVDRJESA-N 2 0 341.499 3.389 20 0 EGADRP CN1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423826189 458492181 /nfs/dbraw/zinc/49/21/81/458492181.db2.gz MJNMMQFDNDWGFG-IMBTUZDBSA-N 2 0 349.906 3.109 20 0 EGADRP CN1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423826187 458492262 /nfs/dbraw/zinc/49/22/62/458492262.db2.gz MJNMMQFDNDWGFG-DWRORGKVSA-N 2 0 349.906 3.109 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000423832554 458493783 /nfs/dbraw/zinc/49/37/83/458493783.db2.gz ABGJPIVVAOUUAA-QZTJIDSGSA-N 2 0 329.488 3.027 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000423846029 458496385 /nfs/dbraw/zinc/49/63/85/458496385.db2.gz NKFSHWIUJMXSPV-LJQANCHMSA-N 2 0 329.488 3.042 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000423887945 458507605 /nfs/dbraw/zinc/50/76/05/458507605.db2.gz HRNQCFYABCJHNK-HXUWFJFHSA-N 2 0 343.515 3.117 20 0 EGADRP CCOc1c(Cl)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430947945 458508660 /nfs/dbraw/zinc/50/86/60/458508660.db2.gz GIRCXBDLIMXYQQ-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000430957531 458510151 /nfs/dbraw/zinc/51/01/51/458510151.db2.gz PGFCLCJJBNMKDT-MRXNPFEDSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccc(F)cc1 ZINC000437969576 458516179 /nfs/dbraw/zinc/51/61/79/458516179.db2.gz JCEHTXSPRQXHHW-GOSISDBHSA-N 2 0 347.522 3.279 20 0 EGADRP [NH3+]C1(CNC(=O)CC2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424039346 458542942 /nfs/dbraw/zinc/54/29/42/458542942.db2.gz NQVGFHUZCCSTCJ-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000461211280 458551536 /nfs/dbraw/zinc/55/15/36/458551536.db2.gz GTWOSPBAKOEZMM-ZIFCJYIRSA-N 2 0 348.535 3.097 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438561337 458598088 /nfs/dbraw/zinc/59/80/88/458598088.db2.gz KQIVQMQQFWLJCA-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)c3c(c1)OCCO3)CC[NH2+]CC2 ZINC000424284640 458603765 /nfs/dbraw/zinc/60/37/65/458603765.db2.gz DKPNHQGKMOKOFR-ZDUSSCGKSA-N 2 0 336.863 3.075 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(-c3ccc(F)cc3)no1)CC[NH2+]CC2 ZINC000424285115 458603855 /nfs/dbraw/zinc/60/38/55/458603855.db2.gz FDPRUNHBTNUBRE-AWEZNQCLSA-N 2 0 329.419 3.445 20 0 EGADRP CCC[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289005 458605519 /nfs/dbraw/zinc/60/55/19/458605519.db2.gz LEXVTOIGTLSFEH-MJGOQNOKSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431721504 458612897 /nfs/dbraw/zinc/61/28/97/458612897.db2.gz DPAIETZPDYMAAB-NSHGMRRFSA-N 2 0 345.531 3.164 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000424334144 458618729 /nfs/dbraw/zinc/61/87/29/458618729.db2.gz NCXDYWBVFGLPHK-CHWSQXEVSA-N 2 0 330.259 3.182 20 0 EGADRP CSc1cc2c(cc1C[N@@H+]1CC3(C[C@H]1C)CC[NH2+]CC3)OCCO2 ZINC000424370476 458628151 /nfs/dbraw/zinc/62/81/51/458628151.db2.gz COELAIGEQBQEIW-CQSZACIVSA-N 2 0 348.512 3.144 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424387613 458631640 /nfs/dbraw/zinc/63/16/40/458631640.db2.gz YRGTVQVUIKFNDF-HNNXBMFYSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1c(F)cccc1N1CCCC1)CC[NH2+]CC2 ZINC000424388948 458632179 /nfs/dbraw/zinc/63/21/79/458632179.db2.gz ZQNAZSSTKSWTTJ-MRXNPFEDSA-N 2 0 331.479 3.390 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424435709 458642572 /nfs/dbraw/zinc/64/25/72/458642572.db2.gz LTBVLLOBJZWTSN-MRXNPFEDSA-N 2 0 346.519 3.476 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000530028297 458663744 /nfs/dbraw/zinc/66/37/44/458663744.db2.gz NVJJIAODKNRZJZ-FQEVSTJZSA-N 2 0 341.499 3.029 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000546722721 458666839 /nfs/dbraw/zinc/66/68/39/458666839.db2.gz QWEMGWCQWJYQHJ-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000471025531 458673506 /nfs/dbraw/zinc/67/35/06/458673506.db2.gz MUVMLMJFHNZSAW-OYRHEFFESA-N 2 0 328.500 3.257 20 0 EGADRP Clc1ccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530177549 458709904 /nfs/dbraw/zinc/70/99/04/458709904.db2.gz KIABYRPOQYPJQX-GOSISDBHSA-N 2 0 333.907 3.179 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)n1 ZINC000530232129 458725661 /nfs/dbraw/zinc/72/56/61/458725661.db2.gz NPLQVXOBMBBFHO-AWEZNQCLSA-N 2 0 332.423 3.171 20 0 EGADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432417294 458736206 /nfs/dbraw/zinc/73/62/06/458736206.db2.gz LLGNGEFSDIPDSO-CTNGQTDRSA-N 2 0 348.531 3.318 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000547431043 458738660 /nfs/dbraw/zinc/73/86/60/458738660.db2.gz CKSNTRXVTYYVMW-CABCVRRESA-N 2 0 339.911 3.025 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000547431046 458738937 /nfs/dbraw/zinc/73/89/37/458738937.db2.gz CKSNTRXVTYYVMW-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCOCC(F)(F)F ZINC000471842003 458740653 /nfs/dbraw/zinc/74/06/53/458740653.db2.gz BYHDFAFRUNPZJF-IRXDYDNUSA-N 2 0 344.421 3.237 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)C[NH+]1CCCCC1 ZINC000494926239 458766706 /nfs/dbraw/zinc/76/67/06/458766706.db2.gz WYDJMYNVNVNRQF-SJORKVTESA-N 2 0 331.504 3.161 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000518176288 458846696 /nfs/dbraw/zinc/84/66/96/458846696.db2.gz RLNOAHLPZKLDQV-RTBURBONSA-N 2 0 331.504 3.237 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000474479923 458888812 /nfs/dbraw/zinc/88/88/12/458888812.db2.gz TUNIFJWKCAIJPT-PJVZLEMVSA-N 2 0 338.536 3.312 20 0 EGADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000474709919 458897536 /nfs/dbraw/zinc/89/75/36/458897536.db2.gz FTNKUAUWCLEZMP-CTNGQTDRSA-N 2 0 346.515 3.456 20 0 EGADRP Cc1cc(C)cc(OCCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441268414 458908784 /nfs/dbraw/zinc/90/87/84/458908784.db2.gz XQIVOHIIYMIUJV-CEWLAPEOSA-N 2 0 346.515 3.256 20 0 EGADRP Cc1nc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000566496591 458947731 /nfs/dbraw/zinc/94/77/31/458947731.db2.gz JPXHJYFOVRMZJH-KXBFYZLASA-N 2 0 326.488 3.417 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2OC)[C@H](C)C1 ZINC000531689501 458961484 /nfs/dbraw/zinc/96/14/84/458961484.db2.gz KTCVOYCWVKGVFL-UYAOXDASSA-N 2 0 348.531 3.273 20 0 EGADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(F)cc1 ZINC000531703420 458963873 /nfs/dbraw/zinc/96/38/73/458963873.db2.gz XXSWXRASTLSYJK-UTKZUKDTSA-N 2 0 341.474 3.465 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000468133569 459005332 /nfs/dbraw/zinc/00/53/32/459005332.db2.gz RKKRFOVLZXURTQ-UHFFFAOYSA-N 2 0 329.532 3.111 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000556909706 459030982 /nfs/dbraw/zinc/03/09/82/459030982.db2.gz IVCIEFJMHMLZAI-XNJGSVPQSA-N 2 0 326.431 3.441 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000442806186 459040427 /nfs/dbraw/zinc/04/04/27/459040427.db2.gz BIWNKCBPVBUJKF-YLJYHZDGSA-N 2 0 343.515 3.437 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442820946 459043669 /nfs/dbraw/zinc/04/36/69/459043669.db2.gz CIFAHRFQRAQULV-MMADZMRASA-N 2 0 330.463 3.168 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442874131 459047965 /nfs/dbraw/zinc/04/79/65/459047965.db2.gz LVMYEPYEMUERGK-LJQANCHMSA-N 2 0 349.588 3.419 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OCC(F)(F)F ZINC000442916972 459059854 /nfs/dbraw/zinc/05/98/54/459059854.db2.gz BGFLCIUREAXTKQ-ZDUSSCGKSA-N 2 0 346.393 3.197 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCc3cc(OC)ccc3C2)cc1 ZINC000557334585 459063202 /nfs/dbraw/zinc/06/32/02/459063202.db2.gz GKMQOPYIOLUVCA-IBGZPJMESA-N 2 0 340.467 3.195 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000443003865 459073822 /nfs/dbraw/zinc/07/38/22/459073822.db2.gz BJENIACOXDJJQG-OAHLLOKOSA-N 2 0 343.437 3.129 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C(C)(C)CN2CCCC2)C1 ZINC000496121841 459075197 /nfs/dbraw/zinc/07/51/97/459075197.db2.gz QUIYFTJMNJCPSY-IBGZPJMESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056811 459078899 /nfs/dbraw/zinc/07/88/99/459078899.db2.gz DEKWPYLKXKQUIY-CVEARBPZSA-N 2 0 325.456 3.228 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1F ZINC000443062732 459080731 /nfs/dbraw/zinc/08/07/31/459080731.db2.gz VHUVCWPDFZOSGF-HNNXBMFYSA-N 2 0 346.450 3.178 20 0 EGADRP CCOc1cc2c(cc1CN[C@@H]1CC[N@H+](CC)C[C@H]1C)O[C@@H](C)C2 ZINC000532454886 459092062 /nfs/dbraw/zinc/09/20/62/459092062.db2.gz SSWCVMJMJXIBKR-RVKKMQEKSA-N 2 0 332.488 3.229 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000567390512 459098901 /nfs/dbraw/zinc/09/89/01/459098901.db2.gz CADVFIHDJWPLBI-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000590344750 459117404 /nfs/dbraw/zinc/11/74/04/459117404.db2.gz MKKTXVOONLGQLE-UHFFFAOYSA-N 2 0 340.556 3.107 20 0 EGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567605788 459132974 /nfs/dbraw/zinc/13/29/74/459132974.db2.gz FLNMDWMKOUGVPN-UZKOGDIHSA-N 2 0 338.495 3.263 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000521305599 459139399 /nfs/dbraw/zinc/13/93/99/459139399.db2.gz WRAOZLXLERCSKW-FQEVSTJZSA-N 2 0 337.511 3.497 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000479475835 459143769 /nfs/dbraw/zinc/14/37/69/459143769.db2.gz WSPXTVRSXOXBOS-HXUWFJFHSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C(C)(C)C[NH+](C)C ZINC000567689003 459146687 /nfs/dbraw/zinc/14/66/87/459146687.db2.gz AKHNMQHIPVKHSU-ILZDJORESA-N 2 0 348.531 3.007 20 0 EGADRP CC(C)C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000578130135 459151037 /nfs/dbraw/zinc/15/10/37/459151037.db2.gz UAUGXTCJWINYQT-BHIYHBOVSA-N 2 0 331.504 3.010 20 0 EGADRP [NH3+]C1(c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)CCCCC1 ZINC000521424914 459152073 /nfs/dbraw/zinc/15/20/73/459152073.db2.gz PJEAKDHANRHMIS-UHFFFAOYSA-N 2 0 326.444 3.451 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000558501305 459168314 /nfs/dbraw/zinc/16/83/14/459168314.db2.gz KZFYDCKXVGKSEQ-NLWGTHIKSA-N 2 0 332.536 3.002 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000521823842 459180819 /nfs/dbraw/zinc/18/08/19/459180819.db2.gz PUQRYARQTLPDEF-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP CSC1(C[NH2+]Cc2cccc(F)c2OC(F)F)CC[NH+](C)CC1 ZINC000594944969 459187338 /nfs/dbraw/zinc/18/73/38/459187338.db2.gz UMJIDKZXCGONEU-UHFFFAOYSA-N 2 0 348.434 3.344 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480710503 459214916 /nfs/dbraw/zinc/21/49/16/459214916.db2.gz DPJPHTUWKIBMDW-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480710504 459215096 /nfs/dbraw/zinc/21/50/96/459215096.db2.gz DPJPHTUWKIBMDW-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000590798688 459224436 /nfs/dbraw/zinc/22/44/36/459224436.db2.gz RLERQMYYRFFJRW-UHFFFAOYSA-N 2 0 338.455 3.183 20 0 EGADRP C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000496517546 459224753 /nfs/dbraw/zinc/22/47/53/459224753.db2.gz ZHWQBKHBVWLLTB-WBVHZDCISA-N 2 0 331.460 3.120 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000590818984 459232336 /nfs/dbraw/zinc/23/23/36/459232336.db2.gz OVLYUZNSDFDYHK-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@@H+]1C ZINC000496568366 459242311 /nfs/dbraw/zinc/24/23/11/459242311.db2.gz GVEUGIUMYPJJNJ-YYIAUSFCSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC000595094696 459243226 /nfs/dbraw/zinc/24/32/26/459243226.db2.gz HHWJTQNKWJYDSU-ULQDDVLXSA-N 2 0 326.525 3.453 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000524156052 459348174 /nfs/dbraw/zinc/34/81/74/459348174.db2.gz DRNDOJJFZVSZFJ-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCOC[C@H]2CCCO2)CC1 ZINC000582413889 459360538 /nfs/dbraw/zinc/36/05/38/459360538.db2.gz XOMXEXBDVVFHDD-XVAXZDLZSA-N 2 0 346.515 3.215 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000569001322 459380893 /nfs/dbraw/zinc/38/08/93/459380893.db2.gz XASGZZGHAVYGKN-GOSISDBHSA-N 2 0 339.483 3.488 20 0 EGADRP COc1cccc(Oc2ncccc2CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000582534114 459382006 /nfs/dbraw/zinc/38/20/06/459382006.db2.gz NHVVDKRPFKEBHJ-MRXNPFEDSA-N 2 0 327.428 3.114 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000591451731 459383631 /nfs/dbraw/zinc/38/36/31/459383631.db2.gz HJRXRXRYUGKVPV-MOPGFXCFSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCc1cncn1C ZINC000496972540 459391073 /nfs/dbraw/zinc/39/10/73/459391073.db2.gz DNWZYZJFQPXSPO-OAHLLOKOSA-N 2 0 342.443 3.002 20 0 EGADRP C[C@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000525180784 459424581 /nfs/dbraw/zinc/42/45/81/459424581.db2.gz DNDADPHAWDZTPI-FPOVZHCZSA-N 2 0 329.532 3.363 20 0 EGADRP CC(C)(C)OC(=O)N1CC=C(CC[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000497096669 459437654 /nfs/dbraw/zinc/43/76/54/459437654.db2.gz GHAVKCNNMXHRKU-UHFFFAOYSA-N 2 0 349.519 3.160 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000497155974 459465154 /nfs/dbraw/zinc/46/51/54/459465154.db2.gz UFVZYTFXRZVVAG-WBVHZDCISA-N 2 0 331.460 3.044 20 0 EGADRP CN(CCC[NH+](C)C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000561974298 459497573 /nfs/dbraw/zinc/49/75/73/459497573.db2.gz RMHLCMUWASPCBL-UHFFFAOYSA-N 2 0 340.393 3.275 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000561976689 459498335 /nfs/dbraw/zinc/49/83/35/459498335.db2.gz QBDZOVWPTOFETK-MSOLQXFVSA-N 2 0 334.504 3.345 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000570004416 459545563 /nfs/dbraw/zinc/54/55/63/459545563.db2.gz AQKDJIGUSUUGNH-LJQANCHMSA-N 2 0 329.488 3.493 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000542671782 459580484 /nfs/dbraw/zinc/58/04/84/459580484.db2.gz VVJMYPJNPYTLKG-QPCUUSJWSA-N 2 0 333.564 3.209 20 0 EGADRP CSc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000542824064 459600219 /nfs/dbraw/zinc/60/02/19/459600219.db2.gz BCKZUJBKFFKADN-GOSISDBHSA-N 2 0 333.545 3.009 20 0 EGADRP CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000584225913 459685452 /nfs/dbraw/zinc/68/54/52/459685452.db2.gz JRMIQHYFQRPCDP-PCCBWWKXSA-N 2 0 329.532 3.265 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000562986886 459687372 /nfs/dbraw/zinc/68/73/72/459687372.db2.gz CPXUFQBMPHXHTH-HLIPFELVSA-N 2 0 336.495 3.077 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)CC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000562995287 459689382 /nfs/dbraw/zinc/68/93/82/459689382.db2.gz BNVDQKVYJGZWAP-OIISXLGYSA-N 2 0 344.421 3.190 20 0 EGADRP CC(C)C[C@H](CNC(=O)c1coc(C[NH3+])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000563074795 459711000 /nfs/dbraw/zinc/71/10/00/459711000.db2.gz PQZHBGWRUDZEQM-MAUKXSAKSA-N 2 0 343.471 3.234 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000563135770 459721783 /nfs/dbraw/zinc/72/17/83/459721783.db2.gz RYZKWFXKLYXECU-UHFFFAOYSA-N 3 0 325.500 3.393 20 0 EGADRP CC[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000544372057 459753438 /nfs/dbraw/zinc/75/34/38/459753438.db2.gz VJTYXSBBBFSUFR-PKOBYXMFSA-N 2 0 345.531 3.284 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CC12CC2 ZINC000527853290 459757901 /nfs/dbraw/zinc/75/79/01/459757901.db2.gz UHHYFUGKWUNJNG-SXLOBPIMSA-N 2 0 327.516 3.143 20 0 EGADRP CC(C)[NH2+]C1(CO)CCN([C@H](C)CCSc2ccccc2)CC1 ZINC000573931518 459759381 /nfs/dbraw/zinc/75/93/81/459759381.db2.gz WZLBUDYUMNEXHU-QGZVFWFLSA-N 2 0 336.545 3.382 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@@H]1CC12CC2 ZINC000527858459 459761152 /nfs/dbraw/zinc/76/11/52/459761152.db2.gz KMRJPSQJKZHVOL-DAYGRLMNSA-N 2 0 331.479 3.417 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH2+]CC1 ZINC000566088018 459803328 /nfs/dbraw/zinc/80/33/28/459803328.db2.gz MCSLRFVPMSDKSH-GFCCVEGCSA-N 2 0 343.393 3.012 20 0 EGADRP COC(=O)c1oc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000597048945 459824864 /nfs/dbraw/zinc/82/48/64/459824864.db2.gz YSEKQTIDNLMVNX-GASCZTMLSA-N 2 0 336.476 3.222 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)c2ccccc21 ZINC000593324749 459842949 /nfs/dbraw/zinc/84/29/49/459842949.db2.gz ZJVRMLWNINYSSE-OALUTQOASA-N 2 0 330.472 3.148 20 0 EGADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000574889802 459889604 /nfs/dbraw/zinc/88/96/04/459889604.db2.gz GAGKCFMPOAOMFR-OAHLLOKOSA-N 2 0 340.471 3.109 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000575059754 459918335 /nfs/dbraw/zinc/91/83/35/459918335.db2.gz IVMQCDVILOTIDL-MISYRCLQSA-N 2 0 349.478 3.351 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000621642091 459993884 /nfs/dbraw/zinc/99/38/84/459993884.db2.gz DDBONXZAGCTDNG-UYAOXDASSA-N 2 0 343.515 3.110 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000621652062 459997625 /nfs/dbraw/zinc/99/76/25/459997625.db2.gz VCSFESGOYSPGQX-GPMSIDNRSA-N 2 0 349.544 3.027 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602642677 460039531 /nfs/dbraw/zinc/03/95/31/460039531.db2.gz FXVYDFUFYLCAQL-HLNWXESRSA-N 2 0 342.483 3.286 20 0 EGADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000576364417 460127295 /nfs/dbraw/zinc/12/72/95/460127295.db2.gz GPGZNCAQBZFGFM-QKNQBKEWSA-N 2 0 327.516 3.428 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cc(C)c(OC)cc3C)C2)CC1 ZINC000614962716 460253273 /nfs/dbraw/zinc/25/32/73/460253273.db2.gz FAYMOHYZCGJLTF-OALUTQOASA-N 2 0 345.531 3.085 20 0 EGADRP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000622507908 460269955 /nfs/dbraw/zinc/26/99/55/460269955.db2.gz FNLZKJKJICKDIY-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)oc1C ZINC000603696981 460334618 /nfs/dbraw/zinc/33/46/18/460334618.db2.gz WOQYGQPMNRNTIM-UHFFFAOYSA-N 2 0 348.487 3.463 20 0 EGADRP CCN(Cc1nnc(C(C)(C)C)[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063578 460359456 /nfs/dbraw/zinc/35/94/56/460359456.db2.gz ITEFSABWZIWOSS-UHFFFAOYSA-N 2 0 329.492 3.186 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000631568671 460447516 /nfs/dbraw/zinc/44/75/16/460447516.db2.gz CIVBJWCKNHEWMT-NRFANRHFSA-N 2 0 340.467 3.413 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1F ZINC000634680095 460473114 /nfs/dbraw/zinc/47/31/14/460473114.db2.gz KDNPSRINLNJRJF-LJQANCHMSA-N 2 0 339.474 3.279 20 0 EGADRP CC1(C)C[NH2+]CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000634733655 460497411 /nfs/dbraw/zinc/49/74/11/460497411.db2.gz KRVIYJRWJUESQX-FQEVSTJZSA-N 2 0 329.532 3.061 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000634732527 460497435 /nfs/dbraw/zinc/49/74/35/460497435.db2.gz ILWOJMARFYHCQM-AWEZNQCLSA-N 2 0 330.394 3.496 20 0 EGADRP CC(C)[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667366 460500712 /nfs/dbraw/zinc/50/07/12/460500712.db2.gz OIZRELGRSLRZNZ-QUCCMNQESA-N 2 0 329.532 3.217 20 0 EGADRP CC(C)[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667367 460501846 /nfs/dbraw/zinc/50/18/46/460501846.db2.gz OIZRELGRSLRZNZ-UYAOXDASSA-N 2 0 329.532 3.217 20 0 EGADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000623424729 460541615 /nfs/dbraw/zinc/54/16/15/460541615.db2.gz BOUQKBBDZMIXBJ-GJZGRUSLSA-N 2 0 340.895 3.328 20 0 EGADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000629399235 460747760 /nfs/dbraw/zinc/74/77/60/460747760.db2.gz DPWSMBUEJCTHSZ-HOTGVXAUSA-N 2 0 330.394 3.297 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000623903851 460769869 /nfs/dbraw/zinc/76/98/69/460769869.db2.gz PYFSOPXRTDHCMZ-SUMWQHHRSA-N 2 0 328.859 3.413 20 0 EGADRP COc1ccccc1CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565933 460812688 /nfs/dbraw/zinc/81/26/88/460812688.db2.gz XHQYITBOJHVRHZ-GJZGRUSLSA-N 2 0 330.394 3.087 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000635564826 460832452 /nfs/dbraw/zinc/83/24/52/460832452.db2.gz KRFHZWUPIXLFTI-HBFSDRIKSA-N 2 0 347.547 3.116 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCN2C2CCCCC2)c2ccccc21 ZINC000624078156 460848395 /nfs/dbraw/zinc/84/83/95/460848395.db2.gz UPEFDIKLILOZER-UYAOXDASSA-N 2 0 341.499 3.481 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)c1OC ZINC000624122869 460872861 /nfs/dbraw/zinc/87/28/61/460872861.db2.gz AHWSFTNWEHNQEJ-DOTOQJQBSA-N 2 0 334.504 3.265 20 0 EGADRP C[C@@H]([NH3+])c1ccc(-c2ccc([C@H](C)N3CC[NH2+]CC3)cc2)cc1F ZINC000629737622 460898175 /nfs/dbraw/zinc/89/81/75/460898175.db2.gz KMBLWUGPESCTQL-CABCVRRESA-N 2 0 327.447 3.479 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000608061651 460973609 /nfs/dbraw/zinc/97/36/09/460973609.db2.gz WWZCQBSAIUHYDB-YOEHRIQHSA-N 2 0 338.455 3.406 20 0 EGADRP COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000608061844 460974670 /nfs/dbraw/zinc/97/46/70/460974670.db2.gz VMEAGVSEMMKBHP-QGZVFWFLSA-N 2 0 334.504 3.454 20 0 EGADRP CC(C)c1nccn1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000635996227 461001235 /nfs/dbraw/zinc/00/12/35/461001235.db2.gz CMFCFAAQQNERLV-KRWDZBQOSA-N 2 0 326.444 3.194 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000652347771 461143052 /nfs/dbraw/zinc/14/30/52/461143052.db2.gz LMHBTPRISROMIW-BHIYHBOVSA-N 2 0 336.907 3.491 20 0 EGADRP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000662261728 461149794 /nfs/dbraw/zinc/14/97/94/461149794.db2.gz NEHZWPQSWVCPHT-HXUWFJFHSA-N 2 0 338.499 3.200 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652354661 461151347 /nfs/dbraw/zinc/15/13/47/461151347.db2.gz DPTFRUPDPHVYQC-APWZRJJASA-N 2 0 331.504 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641168429 461161700 /nfs/dbraw/zinc/16/17/00/461161700.db2.gz FEMUDLYWFFHARN-AEFFLSMTSA-N 2 0 347.894 3.243 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1C ZINC000662291268 461167276 /nfs/dbraw/zinc/16/72/76/461167276.db2.gz RAJAFNCNTSFUEW-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290727 461168515 /nfs/dbraw/zinc/16/85/15/461168515.db2.gz IUCXHDGAPZMLJP-RDJZCZTQSA-N 2 0 347.478 3.173 20 0 EGADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CCOCC1 ZINC000637978488 461169263 /nfs/dbraw/zinc/16/92/63/461169263.db2.gz PIECMSGZIBGSGE-WSTZPKSXSA-N 2 0 338.536 3.014 20 0 EGADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000662293565 461169724 /nfs/dbraw/zinc/16/97/24/461169724.db2.gz LYIVGWQYSQXGBY-AWEZNQCLSA-N 2 0 327.394 3.312 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291617 461169907 /nfs/dbraw/zinc/16/99/07/461169907.db2.gz VUORVNFITUZIAE-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)[C@@H]1CCC[NH3+] ZINC000662314985 461186029 /nfs/dbraw/zinc/18/60/29/461186029.db2.gz QGNRDCBUKBNCIM-MLGOLLRUSA-N 2 0 348.878 3.328 20 0 EGADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](c3nccn3C)C3CC3)C2)[nH+]1 ZINC000638008338 461194523 /nfs/dbraw/zinc/19/45/23/461194523.db2.gz YYIKUGLOJVPXAG-MAUKXSAKSA-N 2 0 325.460 3.009 20 0 EGADRP CC(C)CCOCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326980 461195117 /nfs/dbraw/zinc/19/51/17/461195117.db2.gz CBHVVOFQMXWCRL-UHFFFAOYSA-N 2 0 348.535 3.119 20 0 EGADRP C[C@H](c1ccncc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327483 461195185 /nfs/dbraw/zinc/19/51/85/461195185.db2.gz PEBXGNXJFSIERK-OAHLLOKOSA-N 2 0 339.487 3.212 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000638100501 461240259 /nfs/dbraw/zinc/24/02/59/461240259.db2.gz MHBJWTHZGXYFRD-LPHOPBHVSA-N 2 0 331.504 3.092 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445512 461254457 /nfs/dbraw/zinc/25/44/57/461254457.db2.gz AAANHWYWEUCIMN-PZJWPPBQSA-N 2 0 341.499 3.043 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(C)(C)Oc1ccccc1 ZINC000638181036 461294421 /nfs/dbraw/zinc/29/44/21/461294421.db2.gz LOFMUYGHRKPQKR-QRQLOZEOSA-N 2 0 332.488 3.028 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)CC1CCCCC1 ZINC000662588216 461307697 /nfs/dbraw/zinc/30/76/97/461307697.db2.gz RYCGEDSDABNHOD-VQTJNVASSA-N 2 0 349.563 3.303 20 0 EGADRP c1cc(N2CCC([NH2+][C@@H]3CCN(C4CCCCC4)C3)CC2)cc[nH+]1 ZINC000668587893 461342158 /nfs/dbraw/zinc/34/21/58/461342158.db2.gz SSVUOERUGULARM-GOSISDBHSA-N 2 0 328.504 3.047 20 0 EGADRP CC(C)[NH+](CCNC(=O)N(C)CCCC[NH+]1CCCCC1)C(C)C ZINC000641739139 461343325 /nfs/dbraw/zinc/34/33/25/461343325.db2.gz VFPLBJBTXBDXKU-UHFFFAOYSA-N 2 0 340.556 3.013 20 0 EGADRP CC(C)NC(=O)CNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638278507 461346085 /nfs/dbraw/zinc/34/60/85/461346085.db2.gz CDGIXMDVQLLYTD-OAQYLSRUSA-N 2 0 345.531 3.039 20 0 EGADRP Cn1cc(CCC[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000638312647 461361062 /nfs/dbraw/zinc/36/10/62/461361062.db2.gz ICGSJBOQCLXZCY-UHFFFAOYSA-N 2 0 326.488 3.128 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000668629085 461362191 /nfs/dbraw/zinc/36/21/91/461362191.db2.gz OJABEPXGMCUWMH-OAQYLSRUSA-N 2 0 346.515 3.408 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C[C@H]1C ZINC000662743201 461364705 /nfs/dbraw/zinc/36/47/05/461364705.db2.gz LAKIGYAPAQFLAO-MNEFBYGVSA-N 2 0 343.515 3.010 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000655758151 461424731 /nfs/dbraw/zinc/42/47/31/461424731.db2.gz RQWTUKYGSXXXEL-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000655783749 461444510 /nfs/dbraw/zinc/44/45/10/461444510.db2.gz WYHFCKBHOXTHKS-UHFFFAOYSA-N 2 0 330.451 3.282 20 0 EGADRP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659836925 461446043 /nfs/dbraw/zinc/44/60/43/461446043.db2.gz CXLIDIIQWRNSJT-AQNXPRMDSA-N 2 0 347.547 3.022 20 0 EGADRP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638565839 461486579 /nfs/dbraw/zinc/48/65/79/461486579.db2.gz XWFOBYHYTLFHIN-OPYAIIAOSA-N 2 0 325.500 3.181 20 0 EGADRP CC(C)c1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000659903424 461490676 /nfs/dbraw/zinc/49/06/76/461490676.db2.gz OJXHTFJYRGINHC-UHFFFAOYSA-N 2 0 338.499 3.247 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1C ZINC000631039694 461492204 /nfs/dbraw/zinc/49/22/04/461492204.db2.gz BGPSSMSMZZOXGC-FPLPWBNLSA-N 2 0 329.532 3.242 20 0 EGADRP [NH3+]C1(Cc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCC1 ZINC000647120633 461507462 /nfs/dbraw/zinc/50/74/62/461507462.db2.gz NYUBEVUYGLPZAK-UHFFFAOYSA-N 2 0 326.444 3.146 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)c2cc1OC ZINC000663243184 461524706 /nfs/dbraw/zinc/52/47/06/461524706.db2.gz YCYUTBPRZYTSFH-IHRRRGAJSA-N 2 0 329.444 3.062 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@]12CCCO2 ZINC000638722135 461548633 /nfs/dbraw/zinc/54/86/33/461548633.db2.gz PCYXHKXPIJXKTG-XUVXKRRUSA-N 2 0 338.536 3.061 20 0 EGADRP CC(C)c1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000663314124 461552141 /nfs/dbraw/zinc/55/21/41/461552141.db2.gz GDTNJSGBYRZYJR-UHFFFAOYSA-N 2 0 329.532 3.458 20 0 EGADRP Cn1c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc2ccccc21 ZINC000638751415 461562338 /nfs/dbraw/zinc/56/23/38/461562338.db2.gz QQVZJOVHFLIQPK-RTWAWAEBSA-N 2 0 341.499 3.036 20 0 EGADRP COc1ccccc1N1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000631122256 461570003 /nfs/dbraw/zinc/57/00/03/461570003.db2.gz YXGWKYUPXRLCCE-UHFFFAOYSA-N 2 0 343.515 3.128 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC[C@H]1CCc2ccccc21 ZINC000660115554 461587747 /nfs/dbraw/zinc/58/77/47/461587747.db2.gz BIBNDFCXSGHXFZ-UKAVVXHISA-N 2 0 328.500 3.290 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@]2(C)CCCc3ccccc32)CC1 ZINC000638829957 461605443 /nfs/dbraw/zinc/60/54/43/461605443.db2.gz KUGZPJDNFYNEKZ-NRFANRHFSA-N 2 0 330.516 3.106 20 0 EGADRP CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000666419046 461616111 /nfs/dbraw/zinc/61/61/11/461616111.db2.gz YQALLGFJLKELIT-UTKZUKDTSA-N 2 0 346.515 3.454 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCC2 ZINC000647291285 461617462 /nfs/dbraw/zinc/61/74/62/461617462.db2.gz LPIXMHVHVGEQGA-FQEVSTJZSA-N 2 0 347.572 3.402 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000656197750 461642884 /nfs/dbraw/zinc/64/28/84/461642884.db2.gz HOFROVMSFOPIKT-ZFWWWQNUSA-N 2 0 330.501 3.125 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663467093 461657353 /nfs/dbraw/zinc/65/73/53/461657353.db2.gz ZNFLTCXTWJPTFO-IPMKNSEASA-N 2 0 330.520 3.158 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000663470652 461659455 /nfs/dbraw/zinc/65/94/55/461659455.db2.gz VZYIDHJHEKQCAI-DOTOQJQBSA-N 2 0 341.499 3.344 20 0 EGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469959 461659658 /nfs/dbraw/zinc/65/96/58/461659658.db2.gz RZQXGPYGQXHUQF-PZJWPPBQSA-N 2 0 348.506 3.485 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471833 461661586 /nfs/dbraw/zinc/66/15/86/461661586.db2.gz YOVRKMBZQBHLEV-RDJZCZTQSA-N 2 0 347.478 3.254 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471834 461662667 /nfs/dbraw/zinc/66/26/67/461662667.db2.gz YOVRKMBZQBHLEV-WBVHZDCISA-N 2 0 347.478 3.254 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637808450 461727078 /nfs/dbraw/zinc/72/70/78/461727078.db2.gz GMCGFWCTFHINMY-LJQANCHMSA-N 2 0 337.467 3.257 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1F ZINC000643453071 461731029 /nfs/dbraw/zinc/73/10/29/461731029.db2.gz FNFYXYUDDDBQOT-BXIUTXANSA-N 2 0 349.469 3.301 20 0 EGADRP FC(F)(F)c1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643455393 461733540 /nfs/dbraw/zinc/73/35/40/461733540.db2.gz BTZIFAGEQBXMJM-QGPPMGRFSA-N 2 0 339.405 3.157 20 0 EGADRP C[C@H]([NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CC[NH2+]C1 ZINC000643458584 461735179 /nfs/dbraw/zinc/73/51/79/461735179.db2.gz IAODRMFXDQGCSO-LNFKQOIKSA-N 2 0 332.332 3.484 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)c2ccccc21 ZINC000643462849 461735146 /nfs/dbraw/zinc/73/51/46/461735146.db2.gz MZCLSKNQEFBMOV-VHSSKADRSA-N 2 0 329.394 3.278 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000643465042 461737122 /nfs/dbraw/zinc/73/71/22/461737122.db2.gz PUVQRUPDQMYVSI-IRXDYDNUSA-N 2 0 336.464 3.482 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508182 461748199 /nfs/dbraw/zinc/74/81/99/461748199.db2.gz RLOZRGFADBHLFN-AWEZNQCLSA-N 2 0 325.884 3.343 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)nnn1-c1cccc(Cl)c1 ZINC000643534301 461755525 /nfs/dbraw/zinc/75/55/25/461755525.db2.gz PYWCIYNZXVBMBO-LRDDRELGSA-N 2 0 345.878 3.022 20 0 EGADRP Cc1cc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2cccnc2)ccc1F ZINC000643536380 461756822 /nfs/dbraw/zinc/75/68/22/461756822.db2.gz UBHWCNBXKDHCJU-MOPGFXCFSA-N 2 0 325.431 3.350 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647544244 461760018 /nfs/dbraw/zinc/76/00/18/461760018.db2.gz YMTUZWVDJUBGEB-CABCVRRESA-N 2 0 346.906 3.438 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)CC(C)C ZINC000639146451 461761906 /nfs/dbraw/zinc/76/19/06/461761906.db2.gz JITOXMHHVGEKCQ-FQEVSTJZSA-N 2 0 334.504 3.310 20 0 EGADRP CC1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cccs2)CC1 ZINC000647550493 461762773 /nfs/dbraw/zinc/76/27/73/461762773.db2.gz UDRYCMOMMOPDTQ-WJFTUGDTSA-N 2 0 347.572 3.499 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OCc1ccccc1 ZINC000647552151 461764938 /nfs/dbraw/zinc/76/49/38/461764938.db2.gz IPMKKLIXWFLGDT-CVEARBPZSA-N 2 0 328.456 3.490 20 0 EGADRP c1ccc2c(CC[N@@H+]3CC[C@@H](Oc4ccncc4)C3)nsc2c1 ZINC000660435029 461777512 /nfs/dbraw/zinc/77/75/12/461777512.db2.gz JFVRDBMBBUJPMO-OAHLLOKOSA-N 2 0 325.437 3.387 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000656537508 461778928 /nfs/dbraw/zinc/77/89/28/461778928.db2.gz BVKGCDFEMMSJFI-LJQANCHMSA-N 2 0 337.467 3.206 20 0 EGADRP O=c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC000639204474 461801908 /nfs/dbraw/zinc/80/19/08/461801908.db2.gz AASFEKLNXLKQQS-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCC2)c(Cl)cc1O ZINC000639210101 461806581 /nfs/dbraw/zinc/80/65/81/461806581.db2.gz GXUXQRZBGJLZQJ-UHFFFAOYSA-N 2 0 326.868 3.410 20 0 EGADRP Clc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCOCC2)c1 ZINC000647786721 461834427 /nfs/dbraw/zinc/83/44/27/461834427.db2.gz XIWUTCCLODKROD-TXPKVOOTSA-N 2 0 348.918 3.366 20 0 EGADRP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789179 461835428 /nfs/dbraw/zinc/83/54/28/461835428.db2.gz ZWAIWCCQHSHQGA-RCCFBDPRSA-N 2 0 341.524 3.406 20 0 EGADRP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647790241 461837004 /nfs/dbraw/zinc/83/70/04/461837004.db2.gz VBRAHVPOSFVGQC-RRFJBIMHSA-N 2 0 328.378 3.105 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1 ZINC000666859550 461839910 /nfs/dbraw/zinc/83/99/10/461839910.db2.gz YZOUNAYOUNSSJW-OAQYLSRUSA-N 2 0 339.483 3.376 20 0 EGADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647796749 461840103 /nfs/dbraw/zinc/84/01/03/461840103.db2.gz LZIDOPWNCGFVJZ-HRCADAONSA-N 2 0 342.405 3.148 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000647796476 461840132 /nfs/dbraw/zinc/84/01/32/461840132.db2.gz AQSWYYJYZRWAPQ-CFAJVAMVSA-N 2 0 343.298 3.395 20 0 EGADRP Fc1cc(Br)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000647796788 461840479 /nfs/dbraw/zinc/84/04/79/461840479.db2.gz NSWRVOAXSBZMIL-JFGNBEQYSA-N 2 0 345.231 3.205 20 0 EGADRP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798812 461841484 /nfs/dbraw/zinc/84/14/84/461841484.db2.gz XTATWCCMXPTTHU-RBSFLKMASA-N 2 0 330.863 3.003 20 0 EGADRP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc(OC)c1OC ZINC000647804550 461845045 /nfs/dbraw/zinc/84/50/45/461845045.db2.gz UCNKQLUYMAJDCR-ZDUSSCGKSA-N 2 0 330.428 3.022 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000643973793 461849106 /nfs/dbraw/zinc/84/91/06/461849106.db2.gz VEFQUMSIPKJQLV-OAHLLOKOSA-N 2 0 340.471 3.049 20 0 EGADRP Clc1ccccc1Cn1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cn1 ZINC000666901568 461859926 /nfs/dbraw/zinc/85/99/26/461859926.db2.gz GANYQVVIESYTJX-QGZVFWFLSA-N 2 0 332.879 3.207 20 0 EGADRP CC1([NH3+])CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000666906878 461863477 /nfs/dbraw/zinc/86/34/77/461863477.db2.gz MAEXQRZQDUCXMX-UHFFFAOYSA-N 2 0 344.503 3.060 20 0 EGADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647873402 461867455 /nfs/dbraw/zinc/86/74/55/461867455.db2.gz FWPNRPSGXYQQCO-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP Clc1ccc(O[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647891539 461872428 /nfs/dbraw/zinc/87/24/28/461872428.db2.gz NIUZHZYREOAFSB-TZMCWYRMSA-N 2 0 329.271 3.446 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953841 461886575 /nfs/dbraw/zinc/88/65/75/461886575.db2.gz IYZGZMSLGAEHIL-XJKSGUPXSA-N 2 0 335.879 3.097 20 0 EGADRP Cc1cc(CO)cc(NCC2([N@H+](C)Cc3ccccc3)CCC2)n1 ZINC000663963334 461889806 /nfs/dbraw/zinc/88/98/06/461889806.db2.gz NXPABAWRXAJPMZ-UHFFFAOYSA-N 2 0 325.456 3.349 20 0 EGADRP CC[C@@H]1C[N@H+](CC2(COc3cccc(COC)c3)CCC2)CC[C@H]1[NH3+] ZINC000647934878 461891969 /nfs/dbraw/zinc/89/19/69/461891969.db2.gz SZICLSGZNWCJCR-UYAOXDASSA-N 2 0 346.515 3.441 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(-c2cccs2)n1 ZINC000656784023 461893908 /nfs/dbraw/zinc/89/39/08/461893908.db2.gz XTWVODRWVBVVPY-INIZCTEOSA-N 2 0 344.528 3.360 20 0 EGADRP c1ccc(-c2ncc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cn2)cc1 ZINC000656784544 461894514 /nfs/dbraw/zinc/89/45/14/461894514.db2.gz DUZYCYDOZZKKOV-HXUWFJFHSA-N 2 0 336.483 3.355 20 0 EGADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647938357 461896625 /nfs/dbraw/zinc/89/66/25/461896625.db2.gz KQLBOQKYBZUVAO-MAUKXSAKSA-N 2 0 325.456 3.228 20 0 EGADRP Fc1ccc(-n2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cn2)cc1 ZINC000656786984 461897152 /nfs/dbraw/zinc/89/71/52/461897152.db2.gz YXCIZOKYTSRDEG-SFHVURJKSA-N 2 0 342.462 3.223 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705985 461899065 /nfs/dbraw/zinc/89/90/65/461899065.db2.gz BLTKNFIEKFQFNI-NLWGTHIKSA-N 2 0 332.488 3.194 20 0 EGADRP CCCOc1c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1OCC ZINC000650708570 461903163 /nfs/dbraw/zinc/90/31/63/461903163.db2.gz DUFXRLPNDAMOLN-PXNSSMCTSA-N 2 0 332.488 3.435 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000650724112 461916034 /nfs/dbraw/zinc/91/60/34/461916034.db2.gz YIXCEFZZZHAOFK-XOKHGSTOSA-N 2 0 326.843 3.340 20 0 EGADRP CC1(C)Cc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2O1 ZINC000650723918 461916176 /nfs/dbraw/zinc/91/61/76/461916176.db2.gz VTYSIHROIQMPFI-QWFCFKBJSA-N 2 0 344.499 3.261 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000647975918 461916783 /nfs/dbraw/zinc/91/67/83/461916783.db2.gz HOVTVRFSWXYFSP-HOTGVXAUSA-N 2 0 349.906 3.380 20 0 EGADRP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000667030333 461920188 /nfs/dbraw/zinc/92/01/88/461920188.db2.gz GBMGLYAMDIIPNV-MHORFTMASA-N 2 0 334.508 3.024 20 0 EGADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647978888 461920540 /nfs/dbraw/zinc/92/05/40/461920540.db2.gz ZWWPOLOTVKQVBW-KBPBESRZSA-N 2 0 327.394 3.312 20 0 EGADRP FC(F)(F)c1ccn([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647989978 461925645 /nfs/dbraw/zinc/92/56/45/461925645.db2.gz LSHLUVZETYHYMP-HNNXBMFYSA-N 2 0 344.425 3.319 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Cl ZINC000650763983 461941933 /nfs/dbraw/zinc/94/19/33/461941933.db2.gz NOBBBMNWRAPWDR-AWEZNQCLSA-N 2 0 337.895 3.345 20 0 EGADRP CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC[C@H]1[NH3+] ZINC000667099720 461949318 /nfs/dbraw/zinc/94/93/18/461949318.db2.gz UNUUUFKZWGBZEG-RDTXWAMCSA-N 2 0 340.427 3.465 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@@](O)(C(F)(F)F)C3)CC2)C1 ZINC000644553621 461983977 /nfs/dbraw/zinc/98/39/77/461983977.db2.gz SVISUPNKZPWNMU-IWCQGFGOSA-N 2 0 348.453 3.465 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000644562884 461985928 /nfs/dbraw/zinc/98/59/28/461985928.db2.gz FXGQGLXESPVDLM-KKSFZXQISA-N 2 0 326.484 3.063 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C(C)(C)C ZINC000644569864 461989968 /nfs/dbraw/zinc/98/99/68/461989968.db2.gz HVMYUWUHMCAQRP-DLBZAZTESA-N 2 0 326.912 3.199 20 0 EGADRP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000667196572 461991514 /nfs/dbraw/zinc/99/15/14/461991514.db2.gz ZRUJEYXHQQUWFF-SFHVURJKSA-N 2 0 346.519 3.477 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660856604 461996678 /nfs/dbraw/zinc/99/66/78/461996678.db2.gz QGLOJBQFXNZKOH-QGZVFWFLSA-N 2 0 326.488 3.302 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579088 462000249 /nfs/dbraw/zinc/00/02/49/462000249.db2.gz GRXKOOJLMBBCAM-XYJFISCASA-N 2 0 330.472 3.069 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000657260434 462008508 /nfs/dbraw/zinc/00/85/08/462008508.db2.gz JGQGSJJLLBSJGM-LEWJYISDSA-N 2 0 346.515 3.000 20 0 EGADRP CC(C)O[C@@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000644667799 462029909 /nfs/dbraw/zinc/02/99/09/462029909.db2.gz UNEDBMIXNUNNFT-FQEVSTJZSA-N 2 0 334.504 3.195 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000657317517 462040450 /nfs/dbraw/zinc/04/04/50/462040450.db2.gz YKLFVQYOVYVUIX-ROUUACIJSA-N 2 0 334.504 3.312 20 0 EGADRP CC(C)c1n[nH]c(CC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000639719167 462075137 /nfs/dbraw/zinc/07/51/37/462075137.db2.gz ZWJJOZNAEKYZCJ-KRWDZBQOSA-N 2 0 333.524 3.057 20 0 EGADRP C[N@H+](Cc1ccc2c(c1)CCCC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644833915 462097978 /nfs/dbraw/zinc/09/79/78/462097978.db2.gz NDVHTBFZCWNAAT-JOCHJYFZSA-N 2 0 341.543 3.166 20 0 EGADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657432070 462120083 /nfs/dbraw/zinc/12/00/83/462120083.db2.gz NSZAESPXXFSUMK-SESVDKBCSA-N 2 0 338.499 3.119 20 0 EGADRP CC(C)(C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C[NH+]1CCCC1 ZINC000657448051 462130201 /nfs/dbraw/zinc/13/02/01/462130201.db2.gz RXYGAUPYCVTNRE-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000651406821 462216395 /nfs/dbraw/zinc/21/63/95/462216395.db2.gz PYYNVAMMMFCOMJ-SUMWQHHRSA-N 2 0 344.421 3.449 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000667733418 462236547 /nfs/dbraw/zinc/23/65/47/462236547.db2.gz CTODXWXOIKERFA-HNAYVOBHSA-N 2 0 340.471 3.267 20 0 EGADRP CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648794085 462280245 /nfs/dbraw/zinc/28/02/45/462280245.db2.gz QVNFONRCDUFGML-LJQANCHMSA-N 2 0 346.515 3.144 20 0 EGADRP CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000648798806 462282774 /nfs/dbraw/zinc/28/27/74/462282774.db2.gz INZNPKZDXUAOHR-RTBURBONSA-N 2 0 332.488 3.016 20 0 EGADRP c1cc2c(c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c1)CCC2 ZINC000651646313 462287661 /nfs/dbraw/zinc/28/76/61/462287661.db2.gz ZDAMSFNTMOMIRC-UHFFFAOYSA-N 2 0 328.500 3.252 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000657838169 462291370 /nfs/dbraw/zinc/29/13/70/462291370.db2.gz ZHRKDGSRWDPOHD-LPHOPBHVSA-N 2 0 337.939 3.277 20 0 EGADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657843508 462294290 /nfs/dbraw/zinc/29/42/90/462294290.db2.gz CVVMAWNDJWZXHK-DLBZAZTESA-N 2 0 344.421 3.073 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc4c3CCC4)CC2)CC1 ZINC000651833482 462351961 /nfs/dbraw/zinc/35/19/61/462351961.db2.gz CMJXRHHILLOTPC-UHFFFAOYSA-N 2 0 341.543 3.167 20 0 EGADRP CSc1ccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000645508848 462352793 /nfs/dbraw/zinc/35/27/93/462352793.db2.gz QHAVHCBYPWJRLA-KXBFYZLASA-N 2 0 335.561 3.331 20 0 EGADRP CN(C(=O)CCC1CCCCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654774089 462378916 /nfs/dbraw/zinc/37/89/16/462378916.db2.gz VHNRNJYEGLSHNV-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090367 462378996 /nfs/dbraw/zinc/37/89/96/462378996.db2.gz GROCXUZSJKLXJH-AEFFLSMTSA-N 2 0 333.520 3.150 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000665275310 462379560 /nfs/dbraw/zinc/37/95/60/462379560.db2.gz HIBWRKHDHDEPID-MISYRCLQSA-N 2 0 330.472 3.037 20 0 EGADRP CO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000665283886 462384440 /nfs/dbraw/zinc/38/44/40/462384440.db2.gz WRVHQVQDNMFFEZ-TYPHKJRUSA-N 2 0 344.499 3.427 20 0 EGADRP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CCN2)cc1 ZINC000665299446 462390680 /nfs/dbraw/zinc/39/06/80/462390680.db2.gz NDQZAHXDDBJEOX-RTWAWAEBSA-N 2 0 327.516 3.191 20 0 EGADRP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658212365 462431129 /nfs/dbraw/zinc/43/11/29/462431129.db2.gz HOPGBMLKJXIFTH-OAHLLOKOSA-N 2 0 342.487 3.089 20 0 EGADRP COc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532292 462432094 /nfs/dbraw/zinc/43/20/94/462432094.db2.gz SFCDUYAFFULURD-KRWDZBQOSA-N 2 0 347.503 3.220 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC1CC1 ZINC000658257300 462445279 /nfs/dbraw/zinc/44/52/79/462445279.db2.gz ZLDYAXYHIYVFIO-XSDIEEQYSA-N 2 0 328.500 3.180 20 0 EGADRP CC[N@H+](CCCNC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000652208757 462472851 /nfs/dbraw/zinc/47/28/51/462472851.db2.gz OGGLSCPDNRYZOX-LJQANCHMSA-N 2 0 346.519 3.030 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CC2([NH3+])CCC2)CCCC1)c1ccccc1 ZINC000645958942 462479397 /nfs/dbraw/zinc/47/93/97/462479397.db2.gz SFFKEKVQNHLKAK-MRXNPFEDSA-N 2 0 329.488 3.038 20 0 EGADRP c1nnc([C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CCCCC2)[nH]1 ZINC000658352410 462487475 /nfs/dbraw/zinc/48/74/75/462487475.db2.gz GCTIWKUTJNJHML-SFHVURJKSA-N 2 0 331.508 3.138 20 0 EGADRP FC(F)Cn1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000646053785 462504873 /nfs/dbraw/zinc/50/48/73/462504873.db2.gz YMWJHZLPRKGYHB-UHFFFAOYSA-N 2 0 340.462 3.236 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000130842219 533932733 /nfs/dbraw/zinc/93/27/33/533932733.db2.gz UNJLKEDPUBMGRN-HNNXBMFYSA-N 2 0 342.439 3.207 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000456533830 517756354 /nfs/dbraw/zinc/75/63/54/517756354.db2.gz RWCZNEZEBIDOGT-QGZVFWFLSA-N 2 0 331.504 3.085 20 0 EGADRP OCC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000188017583 534373698 /nfs/dbraw/zinc/37/36/98/534373698.db2.gz KOSFVPRLLNQKKB-XNTOXWQXSA-N 2 0 328.500 3.038 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000171460327 528226317 /nfs/dbraw/zinc/22/63/17/528226317.db2.gz QXXJEWFZOWUBTD-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154968187 528475308 /nfs/dbraw/zinc/47/53/08/528475308.db2.gz NMOMAWNIDVAAHH-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000177986243 528665128 /nfs/dbraw/zinc/66/51/28/528665128.db2.gz LVYGDHHXJSYDIX-IEBWSBKVSA-N 2 0 334.504 3.230 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000178692084 528725336 /nfs/dbraw/zinc/72/53/36/528725336.db2.gz PLZJJPLLSZRSIT-MSOLQXFVSA-N 2 0 333.520 3.010 20 0 EGADRP CCC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000158425590 529014335 /nfs/dbraw/zinc/01/43/35/529014335.db2.gz KVASEJHZWIIYCW-HXUWFJFHSA-N 2 0 338.499 3.464 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000154453442 529143810 /nfs/dbraw/zinc/14/38/10/529143810.db2.gz SOFKFWLUDQTITN-NRFANRHFSA-N 2 0 329.532 3.015 20 0 EGADRP CC[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000339519769 535406183 /nfs/dbraw/zinc/40/61/83/535406183.db2.gz VMFXTWYGFGLFAP-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000338029149 535782140 /nfs/dbraw/zinc/78/21/40/535782140.db2.gz MVIAOGZKGIIQHE-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1F ZINC000337832333 536011676 /nfs/dbraw/zinc/01/16/76/536011676.db2.gz WJKQJQYDSYKEGP-UHFFFAOYSA-N 2 0 347.400 3.004 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000266180419 536403164 /nfs/dbraw/zinc/40/31/64/536403164.db2.gz SFXPCFSHTRELOV-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000092218700 546671756 /nfs/dbraw/zinc/67/17/56/546671756.db2.gz ZRQADDQLGYUPGP-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP O=C(C1CCCC1)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000126776565 546762719 /nfs/dbraw/zinc/76/27/19/546762719.db2.gz SCLLCCBUYHGCCG-IBGZPJMESA-N 2 0 347.547 3.164 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166190849 546987921 /nfs/dbraw/zinc/98/79/21/546987921.db2.gz XZBHJQIAXCMBEK-WOJBJXKFSA-N 2 0 345.531 3.124 20 0 EGADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000167158250 546991275 /nfs/dbraw/zinc/99/12/75/546991275.db2.gz JMBOBTXYTCWXEB-QGZVFWFLSA-N 2 0 334.504 3.230 20 0 EGADRP Cc1cc2cc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)oc2cc1C ZINC000174977263 547008092 /nfs/dbraw/zinc/00/80/92/547008092.db2.gz FNIJJKYERPGONM-UHFFFAOYSA-N 2 0 329.488 3.167 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178071019 547033314 /nfs/dbraw/zinc/03/33/14/547033314.db2.gz SZTPRZXVLIYSJT-RHSMWYFYSA-N 2 0 338.492 3.189 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCOc2ncc(Cl)cc2Cl)CC1 ZINC000183337958 547095991 /nfs/dbraw/zinc/09/59/91/547095991.db2.gz QTYDDIBGRCAFHW-UHFFFAOYSA-N 2 0 332.275 3.231 20 0 EGADRP C[C@H]([NH2+]CC1(CO)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310119082 547461953 /nfs/dbraw/zinc/46/19/53/547461953.db2.gz HRKNMGGMVCGWFM-ICSRJNTNSA-N 2 0 330.516 3.429 20 0 EGADRP c1csc(C[NH+]2CCC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567679 /nfs/dbraw/zinc/56/76/79/547567679.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 2 0 333.545 3.177 20 0 EGADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339070028 547568346 /nfs/dbraw/zinc/56/83/46/547568346.db2.gz VSTSKIKCBMYCOA-SJORKVTESA-N 2 0 342.405 3.482 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068638 547569414 /nfs/dbraw/zinc/56/94/14/547569414.db2.gz RWHYWBWGZUNTBC-GJZGRUSLSA-N 2 0 335.879 3.193 20 0 EGADRP CC[NH+](CC)C[C@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000344207873 547609418 /nfs/dbraw/zinc/60/94/18/547609418.db2.gz HCIBDOYHCYCIOK-SFHVURJKSA-N 2 0 346.563 3.037 20 0 EGADRP C[C@H]1[N@H+](CCCCC[NH+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000357649084 547739326 /nfs/dbraw/zinc/73/93/26/547739326.db2.gz ISUPCVNKBYYTTF-CALCHBBNSA-N 2 0 326.525 3.155 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCC(F)(F)[C@H]3O)CC2)C1 ZINC000414310179 547855689 /nfs/dbraw/zinc/85/56/89/547855689.db2.gz ZJBUJVWQNQSWAA-DZUCGIPZSA-N 2 0 330.463 3.168 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414928029 547861914 /nfs/dbraw/zinc/86/19/14/547861914.db2.gz PUAVSOLTBQRTDB-MOPGFXCFSA-N 2 0 326.488 3.216 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000671309255 548276548 /nfs/dbraw/zinc/27/65/48/548276548.db2.gz QTHRGMNBGKYRRC-LEWJYISDSA-N 2 0 344.499 3.305 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000675492053 548929114 /nfs/dbraw/zinc/92/91/14/548929114.db2.gz RPYCEAFOFZIJJQ-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)C3CC[NH+](C)CC3)ccc2NC1=O ZINC000675924677 549005959 /nfs/dbraw/zinc/00/59/59/549005959.db2.gz NWMBJQIBJWFOPH-LBTNJELSSA-N 2 0 345.487 3.177 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000678133463 549405500 /nfs/dbraw/zinc/40/55/00/549405500.db2.gz BERUFKGWAXZHKS-NRFANRHFSA-N 2 0 340.467 3.201 20 0 EGADRP C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678185204 549420346 /nfs/dbraw/zinc/42/03/46/549420346.db2.gz WRONIXMJCUADFS-SFHVURJKSA-N 2 0 342.483 3.010 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286381 549460388 /nfs/dbraw/zinc/46/03/88/549460388.db2.gz SOCZPKQHDYWQTF-UTKZUKDTSA-N 2 0 327.516 3.022 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000678599150 549527913 /nfs/dbraw/zinc/52/79/13/549527913.db2.gz VIXXSMVBJFWFSN-HBMCJLEFSA-N 2 0 328.500 3.340 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000679366248 549696941 /nfs/dbraw/zinc/69/69/41/549696941.db2.gz SXSZTCCYXACKBG-ZFWWWQNUSA-N 2 0 339.886 3.378 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000680460239 549868011 /nfs/dbraw/zinc/86/80/11/549868011.db2.gz NDYBJRLZFRDVRH-IBGZPJMESA-N 2 0 333.520 3.435 20 0 EGADRP COC1CCC(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000680485326 549871330 /nfs/dbraw/zinc/87/13/30/549871330.db2.gz VZGNKAIWYBBJCO-UHFFFAOYSA-N 2 0 334.504 3.312 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)OC(C)C ZINC000681140356 549960097 /nfs/dbraw/zinc/96/00/97/549960097.db2.gz VAUBLHIONINWKF-JXFKEZNVSA-N 2 0 334.504 3.481 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000682373085 550090914 /nfs/dbraw/zinc/09/09/14/550090914.db2.gz GUEJGXVCMDVRFQ-UHFFFAOYSA-N 2 0 343.437 3.129 20 0 EGADRP CCn1ccc(C[NH+](C)C/C=C\C[N@@H+](C)Cc2ccn(CC)c2)c1 ZINC000683031301 550181094 /nfs/dbraw/zinc/18/10/94/550181094.db2.gz UMZRCPQXTQVXCH-FPLPWBNLSA-N 2 0 328.504 3.449 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000684559948 550343389 /nfs/dbraw/zinc/34/33/89/550343389.db2.gz BUNFCWOPKKMVRQ-RYUDHWBXSA-N 2 0 326.282 3.225 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000684953082 550387477 /nfs/dbraw/zinc/38/74/77/550387477.db2.gz GTYKMYZODQTSEB-IBGZPJMESA-N 2 0 325.456 3.189 20 0 EGADRP C[C@@H]1CN(CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H](C)O1 ZINC000731674871 575196742 /nfs/dbraw/zinc/19/67/42/575196742.db2.gz GFFNRBXHIINFSO-CALCHBBNSA-N 2 0 346.515 3.379 20 0 EGADRP C[C@@H]([N@H+](C)CCS(=O)(=O)CC[NH+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742588358 576791086 /nfs/dbraw/zinc/79/10/86/576791086.db2.gz IZNHRGQYYCPDQA-IYBDPMFKSA-N 2 0 348.597 3.134 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825412982 609321999 /nfs/dbraw/zinc/32/19/99/609321999.db2.gz WTLQVRGNYNPFBS-KGLIPLIRSA-N 2 0 348.470 3.167 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000877767460 1299544380 /nfs/dbraw/zinc/54/43/80/1299544380.db2.gz KFCCWKSWEKNJTK-QZTJIDSGSA-N 2 0 346.494 3.006 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920975 1303194303 /nfs/dbraw/zinc/19/43/03/1303194303.db2.gz SHBSNUMUGPIWML-DLBZAZTESA-N 2 0 339.524 3.144 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc4ccccc4o3)CC2)CC1 ZINC000051189705 1291666751 /nfs/dbraw/zinc/66/67/51/1291666751.db2.gz XALUGWSIRQRYPU-UHFFFAOYSA-N 2 0 327.472 3.081 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000052210113 1291698538 /nfs/dbraw/zinc/69/85/38/1291698538.db2.gz VOJCGZHEAOJGJX-LJQANCHMSA-N 2 0 340.458 3.442 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccccc2F)CC1 ZINC000061070344 1291959041 /nfs/dbraw/zinc/95/90/41/1291959041.db2.gz FUUZZHFRCWSGEP-UHFFFAOYSA-N 2 0 341.474 3.253 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000067223222 1292154295 /nfs/dbraw/zinc/15/42/95/1292154295.db2.gz HVTPHMMFQNVCDH-AWEZNQCLSA-N 2 0 328.403 3.118 20 0 EGADRP CN(C)[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccs1 ZINC000069645777 1292247029 /nfs/dbraw/zinc/24/70/29/1292247029.db2.gz HNBCDSAJGHEQGT-GOSISDBHSA-N 2 0 347.528 3.081 20 0 EGADRP COCc1cccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000069707417 1292249572 /nfs/dbraw/zinc/24/95/72/1292249572.db2.gz LCUCBSZYJMDYEU-UHFFFAOYSA-N 2 0 328.456 3.063 20 0 EGADRP Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000072720193 1292288833 /nfs/dbraw/zinc/28/88/33/1292288833.db2.gz VXRFLUCEYPVLJM-KRWDZBQOSA-N 2 0 347.478 3.271 20 0 EGADRP C[C@@]1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000828748253 1292494955 /nfs/dbraw/zinc/49/49/55/1292494955.db2.gz DZKPDKMNJBHZMB-INIZCTEOSA-N 2 0 349.346 3.395 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088735295 1292755675 /nfs/dbraw/zinc/75/56/75/1292755675.db2.gz CZSFWOOKKILIPM-RXVVDRJESA-N 2 0 329.532 3.219 20 0 EGADRP CC(C)c1noc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000089577734 1292771875 /nfs/dbraw/zinc/77/18/75/1292771875.db2.gz DVPBIDYHMIMEOV-HNNXBMFYSA-N 2 0 346.475 3.027 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831089377 1292806892 /nfs/dbraw/zinc/80/68/92/1292806892.db2.gz ZWIVHNFMOUQXPA-CTWPCTMYSA-N 2 0 335.536 3.197 20 0 EGADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1cccs1)C[NH+]1CCCCC1 ZINC000093948071 1292939354 /nfs/dbraw/zinc/93/93/54/1292939354.db2.gz FQMMHOITEMIELN-HNNXBMFYSA-N 2 0 332.517 3.360 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cn1 ZINC000095976400 1292946230 /nfs/dbraw/zinc/94/62/30/1292946230.db2.gz WDIJUXAZFQWXIM-WDSOQIARSA-N 2 0 338.455 3.013 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)Nc1cccc(OCC[NH3+])c1)c1ccccc1 ZINC000832607502 1293026235 /nfs/dbraw/zinc/02/62/35/1293026235.db2.gz YXDORPQIRFKXIL-LJQANCHMSA-N 2 0 341.455 3.046 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000105455143 1293036978 /nfs/dbraw/zinc/03/69/78/1293036978.db2.gz WHJXTUOIYUAOFI-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]CCCC[N@H+](C)C3CC3)CC2)cc1 ZINC000834908082 1293173089 /nfs/dbraw/zinc/17/30/89/1293173089.db2.gz BBZZQBXGHNKWGN-UHFFFAOYSA-N 2 0 344.547 3.185 20 0 EGADRP COCCN1CCC([NH2+]Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000115614076 1293191369 /nfs/dbraw/zinc/19/13/69/1293191369.db2.gz WFNLQDVFFDJCSQ-UHFFFAOYSA-N 2 0 345.512 3.319 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000126031191 1293523029 /nfs/dbraw/zinc/52/30/29/1293523029.db2.gz KKSHUBBMTZOALF-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000151595908 1293932380 /nfs/dbraw/zinc/93/23/80/1293932380.db2.gz DGMLMOGIKZTVEV-PXNSSMCTSA-N 2 0 329.532 3.359 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000153315285 1294009379 /nfs/dbraw/zinc/00/93/79/1294009379.db2.gz QTRDZDBQYSDRQN-NQIIRXRSSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000154133874 1294042950 /nfs/dbraw/zinc/04/29/50/1294042950.db2.gz WAADCGCSDFFYAP-FQEVSTJZSA-N 2 0 345.531 3.078 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCCCC[NH3+])C1 ZINC000155444234 1294097812 /nfs/dbraw/zinc/09/78/12/1294097812.db2.gz PUFIQLNFRVQZDH-HDICACEKSA-N 2 0 345.531 3.300 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)CCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000155692865 1294110619 /nfs/dbraw/zinc/11/06/19/1294110619.db2.gz UNZBCSFQXRAVLC-MJGOQNOKSA-N 2 0 331.504 3.017 20 0 EGADRP c1nc2cnccn2c1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000156723902 1294157175 /nfs/dbraw/zinc/15/71/75/1294157175.db2.gz VHZUFBJTBOQMIT-UHFFFAOYSA-N 2 0 349.482 3.395 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000157163211 1294169957 /nfs/dbraw/zinc/16/99/57/1294169957.db2.gz VDYKCDVZWMOEFE-TZIWHRDSSA-N 2 0 344.499 3.208 20 0 EGADRP CCn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000159994991 1294254024 /nfs/dbraw/zinc/25/40/24/1294254024.db2.gz UARZDKCOBYCIKG-QGZVFWFLSA-N 2 0 326.488 3.425 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000165736936 1294359891 /nfs/dbraw/zinc/35/98/91/1294359891.db2.gz BANMLKYYSJMBFL-RHSMWYFYSA-N 2 0 340.558 3.126 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194424821 1295975844 /nfs/dbraw/zinc/97/58/44/1295975844.db2.gz WALRGDLDASAVOL-WMZOPIPTSA-N 2 0 347.478 3.311 20 0 EGADRP O=C(CC[NH2+]CC1CC1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000870875155 1296126207 /nfs/dbraw/zinc/12/62/07/1296126207.db2.gz ZQWALGFUDMTTEV-UHFFFAOYSA-N 2 0 329.488 3.391 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)c2)CC1 ZINC000870878685 1296127586 /nfs/dbraw/zinc/12/75/86/1296127586.db2.gz POIQNSYZWXPQFJ-BGYRXZFFSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000870955203 1296153015 /nfs/dbraw/zinc/15/30/15/1296153015.db2.gz QLFFFJCKXXHNPA-HXUWFJFHSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNCc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000236934035 1296210941 /nfs/dbraw/zinc/21/09/41/1296210941.db2.gz PJBHPPSARYUQPU-OAHLLOKOSA-N 2 0 332.879 3.347 20 0 EGADRP C[C@@H]1C[C@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000237592056 1296251557 /nfs/dbraw/zinc/25/15/57/1296251557.db2.gz UUIFRTSUGGDXND-MJGOQNOKSA-N 2 0 329.532 3.359 20 0 EGADRP [NH3+]CCCCCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237961038 1296274371 /nfs/dbraw/zinc/27/43/71/1296274371.db2.gz AISMMMLGOJNTFP-KRWDZBQOSA-N 2 0 337.895 3.112 20 0 EGADRP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000247003566 1296380349 /nfs/dbraw/zinc/38/03/49/1296380349.db2.gz JYYALEWMALVCTB-BRWVUGGUSA-N 2 0 341.540 3.390 20 0 EGADRP CCCCC[C@H](C)NC(=O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248547845 1296419548 /nfs/dbraw/zinc/41/95/48/1296419548.db2.gz FHYWCUWUBLJLGP-KSZLIROESA-N 2 0 337.552 3.314 20 0 EGADRP CC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)OCCO1 ZINC000248894005 1296432072 /nfs/dbraw/zinc/43/20/72/1296432072.db2.gz UKKGWCRPBCYURK-XUVXKRRUSA-N 2 0 344.499 3.030 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261542732 1296593541 /nfs/dbraw/zinc/59/35/41/1296593541.db2.gz CKMMASMPBZGEJF-IVAOSVALSA-N 3 0 327.516 3.019 20 0 EGADRP C[C@H](CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000262890251 1296652913 /nfs/dbraw/zinc/65/29/13/1296652913.db2.gz AFDNMNCJIHOAQR-YPMHNXCESA-N 2 0 343.393 3.128 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)Sc2ccccc21 ZINC000872034293 1296685452 /nfs/dbraw/zinc/68/54/52/1296685452.db2.gz NLPZQTJRDFZIJF-NVXWUHKLSA-N 2 0 333.545 3.228 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc(O)ccc1F ZINC000872085688 1296725251 /nfs/dbraw/zinc/72/52/51/1296725251.db2.gz ORQXKXNFQVGSFP-HNNXBMFYSA-N 2 0 343.446 3.489 20 0 EGADRP CC1(C)CCc2onc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2C1 ZINC000872144065 1296764659 /nfs/dbraw/zinc/76/46/59/1296764659.db2.gz BDJYVEHRLTUGPP-MRXNPFEDSA-N 2 0 331.504 3.401 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000301465831 1296789398 /nfs/dbraw/zinc/78/93/98/1296789398.db2.gz FYJWJVCMMIBIHB-CVEARBPZSA-N 2 0 341.540 3.247 20 0 EGADRP CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857188796 1328524298 /nfs/dbraw/zinc/52/42/98/1328524298.db2.gz RYCCRFRPFLDELN-LJQANCHMSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000305133364 1296985390 /nfs/dbraw/zinc/98/53/90/1296985390.db2.gz NDBDMNDUGPIVRW-IKGGRYGDSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310917510 1297103830 /nfs/dbraw/zinc/10/38/30/1297103830.db2.gz QPAQQGWEUZEPJJ-SFTDATJTSA-N 2 0 340.515 3.410 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](O)c1ccccc1 ZINC000873193595 1297338842 /nfs/dbraw/zinc/33/88/42/1297338842.db2.gz MFAHHLFIGXBMJJ-RTWAWAEBSA-N 2 0 342.483 3.229 20 0 EGADRP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccccc2)O1 ZINC000873204000 1297349250 /nfs/dbraw/zinc/34/92/50/1297349250.db2.gz VZCKMPDJXKATET-KBXCAEBGSA-N 2 0 328.481 3.356 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873219965 1297360599 /nfs/dbraw/zinc/36/05/99/1297360599.db2.gz CUIQTGQXIIXFGQ-CYBMUJFWSA-N 2 0 332.879 3.312 20 0 EGADRP Fc1ccc(O[C@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000873228408 1297371505 /nfs/dbraw/zinc/37/15/05/1297371505.db2.gz TUWVGNDKORJTFI-INIZCTEOSA-N 2 0 332.444 3.186 20 0 EGADRP c1nc([C@H]2CCCO2)sc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873233001 1297375139 /nfs/dbraw/zinc/37/51/39/1297375139.db2.gz VQORIZJZONKIMW-HZPDHXFCSA-N 2 0 335.517 3.397 20 0 EGADRP c1ccc(C[NH+]2CCC(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000873241267 1297382519 /nfs/dbraw/zinc/38/25/19/1297382519.db2.gz FRTMQJGZOQJUOY-WCRBZPEASA-N 3 0 327.516 3.161 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(F)F ZINC000873260319 1297394172 /nfs/dbraw/zinc/39/41/72/1297394172.db2.gz YJPGVYGXJIFZBF-VIRABCJISA-N 2 0 340.414 3.478 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259400 1297394222 /nfs/dbraw/zinc/39/42/22/1297394222.db2.gz DLBFZNIZWSGNIB-DIECFANBSA-N 2 0 349.906 3.486 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873263550 1297396789 /nfs/dbraw/zinc/39/67/89/1297396789.db2.gz JIUMCDODCZBRPN-URZNZNTCSA-N 3 0 327.516 3.017 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)ncc1F ZINC000873262936 1297397464 /nfs/dbraw/zinc/39/74/64/1297397464.db2.gz DTOQYASHNIJKOG-WISYIIOYSA-N 2 0 342.256 3.164 20 0 EGADRP O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCCC2 ZINC000873277526 1297406204 /nfs/dbraw/zinc/40/62/04/1297406204.db2.gz TVISGRLLEFSBRW-BHIYHBOVSA-N 2 0 329.488 3.066 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2c(c1)CCCO2 ZINC000873292232 1297414490 /nfs/dbraw/zinc/41/44/90/1297414490.db2.gz PQONOQTZWONTDB-RTBURBONSA-N 2 0 344.499 3.211 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1C ZINC000873293778 1297415798 /nfs/dbraw/zinc/41/57/98/1297415798.db2.gz PDOYLXPPIDKENG-IAGOWNOFSA-N 2 0 332.488 3.121 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000873296604 1297417526 /nfs/dbraw/zinc/41/75/26/1297417526.db2.gz JOINBRKKCUZQRP-WJFTUGDTSA-N 2 0 336.907 3.144 20 0 EGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379615035 1297535207 /nfs/dbraw/zinc/53/52/07/1297535207.db2.gz AAYUNSNICUCMON-MGPUTAFESA-N 2 0 348.437 3.498 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000379899366 1297541946 /nfs/dbraw/zinc/54/19/46/1297541946.db2.gz IFSFEPGSOJFWOX-ZACQAIPSSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000379899364 1297542181 /nfs/dbraw/zinc/54/21/81/1297542181.db2.gz IFSFEPGSOJFWOX-IKGGRYGDSA-N 2 0 339.524 3.286 20 0 EGADRP CC(C)(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000391120663 1297638039 /nfs/dbraw/zinc/63/80/39/1297638039.db2.gz JVLAGPVFCKQBTA-SFHVURJKSA-N 2 0 345.531 3.182 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000391820084 1297645794 /nfs/dbraw/zinc/64/57/94/1297645794.db2.gz NZORGJBNVPLSFY-OAHLLOKOSA-N 2 0 330.394 3.060 20 0 EGADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000392472422 1297657327 /nfs/dbraw/zinc/65/73/27/1297657327.db2.gz APJZPSVTHKSKGK-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(F)cc1Br)C1CC[NH+](C)CC1 ZINC000396473132 1297688035 /nfs/dbraw/zinc/68/80/35/1297688035.db2.gz ZFHBJZVRUHZJQI-LLVKDONJSA-N 2 0 329.257 3.408 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000404542247 1297755474 /nfs/dbraw/zinc/75/54/74/1297755474.db2.gz RGVMZHXESSLASH-VVLHAWIVSA-N 2 0 349.519 3.039 20 0 EGADRP COC(=O)CCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000691876658 1298139216 /nfs/dbraw/zinc/13/92/16/1298139216.db2.gz SLFBYTDTZNJRAA-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000699211204 1298169584 /nfs/dbraw/zinc/16/95/84/1298169584.db2.gz QIBIZLBNNYJTEJ-OTYNDTSQSA-N 2 0 327.516 3.113 20 0 EGADRP COc1cncc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000700071431 1298173759 /nfs/dbraw/zinc/17/37/59/1298173759.db2.gz HGWXCGYFTXQQCD-IBGZPJMESA-N 2 0 339.483 3.482 20 0 EGADRP COc1cncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000700118231 1298175561 /nfs/dbraw/zinc/17/55/61/1298175561.db2.gz ZDTNZUUKOAAQPA-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000708524458 1298240135 /nfs/dbraw/zinc/24/01/35/1298240135.db2.gz SLACIYOIXNTTOI-BTHPGYMESA-N 2 0 328.500 3.302 20 0 EGADRP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000709285745 1298247732 /nfs/dbraw/zinc/24/77/32/1298247732.db2.gz HBWZFMLTPOVBKX-JWTNVVGKSA-N 2 0 345.487 3.084 20 0 EGADRP [NH3+]CCCCCC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709627920 1298249780 /nfs/dbraw/zinc/24/97/80/1298249780.db2.gz KEZRENNHVYHZGO-LJQANCHMSA-N 2 0 331.504 3.067 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715394504 1298279422 /nfs/dbraw/zinc/27/94/22/1298279422.db2.gz OEWCVLYAHPVEEZ-DBOLQNLKSA-N 2 0 328.500 3.444 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000715514708 1298280351 /nfs/dbraw/zinc/28/03/51/1298280351.db2.gz WKFULXUXLQKOHO-ZIAGYGMSSA-N 2 0 341.293 3.420 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724031147 1298344835 /nfs/dbraw/zinc/34/48/35/1298344835.db2.gz WVUIJMZKRCPCKZ-IRXDYDNUSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2N)cc1 ZINC000876942253 1299080075 /nfs/dbraw/zinc/08/00/75/1299080075.db2.gz SKOZQVLXBUWGSQ-UHFFFAOYSA-N 2 0 333.863 3.152 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CCCC1 ZINC000877450189 1299310165 /nfs/dbraw/zinc/31/01/65/1299310165.db2.gz ZFUCVMHDYINOMF-AEOXZHQRSA-N 2 0 347.547 3.053 20 0 EGADRP [NH3+][C@H](CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)c1ccccc1 ZINC000877452840 1299311966 /nfs/dbraw/zinc/31/19/66/1299311966.db2.gz SITDZTTUVMXKBR-LSTHTHJFSA-N 2 0 343.515 3.223 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877479912 1299332710 /nfs/dbraw/zinc/33/27/10/1299332710.db2.gz YKBIPEINIWHNII-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP CCC1([NH+]2CCCC2)CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000877673153 1299470155 /nfs/dbraw/zinc/47/01/55/1299470155.db2.gz AUORSPWFEPRVGJ-UHFFFAOYSA-N 2 0 336.520 3.260 20 0 EGADRP COC(=O)c1ccc(OC)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000878046825 1299723742 /nfs/dbraw/zinc/72/37/42/1299723742.db2.gz BJXDCDNEDROZKU-UHFFFAOYSA-N 2 0 348.487 3.034 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000879208614 1300429185 /nfs/dbraw/zinc/42/91/85/1300429185.db2.gz BUEVUPJZIPRGGF-SFHVURJKSA-N 2 0 336.520 3.055 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](CCc3ccc4ccccc4c3)CC2)CC1 ZINC000879593056 1300617982 /nfs/dbraw/zinc/61/79/82/1300617982.db2.gz UBAGMZVBHPFLTR-UHFFFAOYSA-N 2 0 337.511 3.094 20 0 EGADRP COCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000879710679 1300690807 /nfs/dbraw/zinc/69/08/07/1300690807.db2.gz HDIFWQLTYGFCCN-UHFFFAOYSA-N 2 0 346.515 3.300 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1c(F)cccc1F ZINC000880517029 1301145880 /nfs/dbraw/zinc/14/58/80/1301145880.db2.gz IFCCHJQHXIQJRN-QGZVFWFLSA-N 2 0 326.431 3.196 20 0 EGADRP C[NH+](C)C1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC1 ZINC000763029825 1301807057 /nfs/dbraw/zinc/80/70/57/1301807057.db2.gz OTMVRRVPLUTNID-UHFFFAOYSA-N 2 0 329.488 3.138 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000765349798 1302252014 /nfs/dbraw/zinc/25/20/14/1302252014.db2.gz NOHQOHFCKDMBKE-KCXAZCMYSA-N 2 0 330.394 3.059 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000765750648 1302318716 /nfs/dbraw/zinc/31/87/16/1302318716.db2.gz CEVBREXAPUWFHJ-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000883279610 1302355409 /nfs/dbraw/zinc/35/54/09/1302355409.db2.gz ZAOLKXZPBQWUBK-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]([NH2+]CCNc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000766516908 1302466802 /nfs/dbraw/zinc/46/68/02/1302466802.db2.gz YJLDAPIVASDNMV-QGZVFWFLSA-N 2 0 327.472 3.390 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nc(Cl)c4ccccc43)C2)CC1 ZINC000769651043 1303153144 /nfs/dbraw/zinc/15/31/44/1303153144.db2.gz AIRGWDLXWIXFOT-HNNXBMFYSA-N 2 0 332.879 3.311 20 0 EGADRP C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)O2)CO1 ZINC000886330535 1303436538 /nfs/dbraw/zinc/43/65/38/1303436538.db2.gz TZMQUZFCMWXAPP-UXPWSPDFSA-N 2 0 336.520 3.100 20 0 EGADRP C[NH+](C[C@@H]1CCCCO1)[C@H]1CC[C@H]([N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000886392111 1303455386 /nfs/dbraw/zinc/45/53/86/1303455386.db2.gz VNOAILSQXOCUMV-HKJRMUSSSA-N 2 0 338.536 3.299 20 0 EGADRP CC(C)(C)N1C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1=O ZINC000886639543 1303535320 /nfs/dbraw/zinc/53/53/20/1303535320.db2.gz FYNNHLLEKOXYGB-VXESANQCSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](COCc1ccccc1)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000886839400 1303616657 /nfs/dbraw/zinc/61/66/57/1303616657.db2.gz DITRWMBNQDWLIL-IOMROCGXSA-N 2 0 346.515 3.058 20 0 EGADRP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C[NH+](C)C ZINC000887679718 1303891143 /nfs/dbraw/zinc/89/11/43/1303891143.db2.gz GYZAIOGMWJGKNR-QGZVFWFLSA-N 2 0 346.519 3.034 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)ccc1OC ZINC000775369811 1303948616 /nfs/dbraw/zinc/94/86/16/1303948616.db2.gz RFUKFNGODNXBCM-IRXDYDNUSA-N 2 0 344.503 3.473 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2)cc1C[NH+]1CCCCC1 ZINC000775379329 1303950503 /nfs/dbraw/zinc/95/05/03/1303950503.db2.gz QMIARAOFLKOSOX-SJORKVTESA-N 2 0 332.488 3.368 20 0 EGADRP C[C@@H]1C[C@@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000777598222 1304322807 /nfs/dbraw/zinc/32/28/07/1304322807.db2.gz MIZPOSNBWGYSSQ-MJGOQNOKSA-N 2 0 331.504 3.446 20 0 EGADRP C[C@H]1C[C@@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777697661 1304336220 /nfs/dbraw/zinc/33/62/20/1304336220.db2.gz YNPFKBFULLVSOC-PXNSSMCTSA-N 2 0 344.547 3.359 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000779003681 1304517347 /nfs/dbraw/zinc/51/73/47/1304517347.db2.gz YLUPLCRXCTXNRF-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCC(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000892160489 1305271985 /nfs/dbraw/zinc/27/19/85/1305271985.db2.gz DJLCVQFPAMZHIB-UHFFFAOYSA-N 2 0 331.287 3.130 20 0 EGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892179989 1305275448 /nfs/dbraw/zinc/27/54/48/1305275448.db2.gz MYPLPXYWFWXCOU-GOSISDBHSA-N 2 0 326.488 3.151 20 0 EGADRP COc1ccccc1[C@H](C[NH2+]CC1CC[NH+](C)CC1)N1CCCCC1 ZINC000892626247 1305477859 /nfs/dbraw/zinc/47/78/59/1305477859.db2.gz PXGKDNPZPJKGPT-FQEVSTJZSA-N 2 0 345.531 3.154 20 0 EGADRP C[N@H+](Cc1ccccc1C[NH2+]C1CCS(=O)CC1)C1CCCCC1 ZINC000892654119 1305490882 /nfs/dbraw/zinc/49/08/82/1305490882.db2.gz OFYWIKFSVIZHJM-UHFFFAOYSA-N 2 0 348.556 3.452 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC1 ZINC000892808560 1305560253 /nfs/dbraw/zinc/56/02/53/1305560253.db2.gz BHDFIBYWUOIXDM-UHFFFAOYSA-N 2 0 329.419 3.444 20 0 EGADRP COc1cccc(-c2csc(C[NH2+]CC3CC[NH+](C)CC3)n2)c1 ZINC000892944039 1305618993 /nfs/dbraw/zinc/61/89/93/1305618993.db2.gz NHQBFXBGMOKKNT-UHFFFAOYSA-N 2 0 331.485 3.250 20 0 EGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCNC2=O)cc1 ZINC000786829636 1305636840 /nfs/dbraw/zinc/63/68/40/1305636840.db2.gz LZZMNNQIIZOFMQ-CRAIPNDOSA-N 2 0 346.519 3.233 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000893103728 1305708386 /nfs/dbraw/zinc/70/83/86/1305708386.db2.gz SPXAUMONXPAATC-BAIPTCSOSA-N 2 0 341.543 3.358 20 0 EGADRP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000788488642 1305952891 /nfs/dbraw/zinc/95/28/91/1305952891.db2.gz RMQYERCSCBHMHO-IBGZPJMESA-N 2 0 328.456 3.157 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000788497924 1305956662 /nfs/dbraw/zinc/95/66/62/1305956662.db2.gz LCBHWGGGXKOJLH-JKSUJKDBSA-N 2 0 341.540 3.199 20 0 EGADRP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000893969952 1306154690 /nfs/dbraw/zinc/15/46/90/1306154690.db2.gz VAOGCLBUPCWPFD-UHFFFAOYSA-N 2 0 343.471 3.118 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nccc3ccccc32)c1 ZINC000894189595 1306268685 /nfs/dbraw/zinc/26/86/85/1306268685.db2.gz BSQURQNERNRAGQ-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](CF)C1)C1CC[NH+](C)CC1 ZINC000895546285 1309394982 /nfs/dbraw/zinc/39/49/82/1309394982.db2.gz ZBUYGZSSRNSNNI-KRWDZBQOSA-N 2 0 333.495 3.399 20 0 EGADRP C[C@@H](c1ccccc1)N1CCN(Cc2ncc(CN(C)C)s2)CC1 ZINC000895553090 1309397474 /nfs/dbraw/zinc/39/74/74/1309397474.db2.gz XNDUTLJTEXRCOY-INIZCTEOSA-N 2 0 344.528 3.084 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896407606 1309846127 /nfs/dbraw/zinc/84/61/27/1309846127.db2.gz SOYDWESXAUFSGX-VQIMIIECSA-N 2 0 343.515 3.201 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@H]1c1cccs1 ZINC000896642938 1309951316 /nfs/dbraw/zinc/95/13/16/1309951316.db2.gz FMYRBDNFRSIKGQ-INMHGKMJSA-N 2 0 349.544 3.120 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC000798180424 1310311038 /nfs/dbraw/zinc/31/10/38/1310311038.db2.gz FYFQWAHRJAXTHL-ACBHZAAOSA-N 2 0 328.456 3.346 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000897420785 1310330492 /nfs/dbraw/zinc/33/04/92/1310330492.db2.gz HOTDVKFWZXTBCJ-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP O=C(OCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000800174012 1310690811 /nfs/dbraw/zinc/69/08/11/1310690811.db2.gz LTBJOBQWKXQTJN-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000898611941 1310802470 /nfs/dbraw/zinc/80/24/70/1310802470.db2.gz YNZCMYMYWSXRCC-BOMAWHNGSA-N 2 0 336.520 3.351 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857262057 1328525473 /nfs/dbraw/zinc/52/54/73/1328525473.db2.gz AQPRYIYQANBGTL-FXAWDEMLSA-N 2 0 345.531 3.346 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CC[NH+](C(C)(C)C)C3)c2)C1 ZINC000857303679 1328527053 /nfs/dbraw/zinc/52/70/53/1328527053.db2.gz KUYOYEHQEOSONX-OALUTQOASA-N 2 0 343.515 3.098 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)c2)C1 ZINC000857303647 1328527358 /nfs/dbraw/zinc/52/73/58/1328527358.db2.gz YUEPEKKPTFRQQW-MOPGFXCFSA-N 2 0 343.515 3.098 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001019149813 1317071582 /nfs/dbraw/zinc/07/15/82/1317071582.db2.gz GLEDDTIPKKDFQS-ICSRJNTNSA-N 2 0 348.450 3.290 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019279561 1317144010 /nfs/dbraw/zinc/14/40/10/1317144010.db2.gz HWWJHAIAYLPDPW-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001019342839 1317178075 /nfs/dbraw/zinc/17/80/75/1317178075.db2.gz KQPUNWSUJXXMIK-VQTJNVASSA-N 2 0 345.531 3.087 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000900230219 1317254754 /nfs/dbraw/zinc/25/47/54/1317254754.db2.gz YWDIRQLEZIVYCN-UXHICEINSA-N 2 0 343.515 3.160 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001019469906 1317264067 /nfs/dbraw/zinc/26/40/67/1317264067.db2.gz UFQKBKLEBBSHHW-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000957422275 1317347647 /nfs/dbraw/zinc/34/76/47/1317347647.db2.gz RDDAXBQFQROPHG-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561590 1317459015 /nfs/dbraw/zinc/45/90/15/1317459015.db2.gz VSUYOQXXLUXKIT-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957603707 1317491572 /nfs/dbraw/zinc/49/15/72/1317491572.db2.gz VPVABFFEWKRIHC-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605934 1317492803 /nfs/dbraw/zinc/49/28/03/1317492803.db2.gz QUEPABOCHSYRSH-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC)CC2 ZINC000957631685 1317507095 /nfs/dbraw/zinc/50/70/95/1317507095.db2.gz PKSRDRDORJMNOM-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001020029178 1317508574 /nfs/dbraw/zinc/50/85/74/1317508574.db2.gz XARNKPGMIKZGGV-XLNTUCKNSA-N 2 0 343.515 3.202 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001020152253 1317565685 /nfs/dbraw/zinc/56/56/85/1317565685.db2.gz BVDREOBSVWTIMJ-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP CSc1ccc(Br)cc1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000902430131 1317577918 /nfs/dbraw/zinc/57/79/18/1317577918.db2.gz OVTMQBQYMGEILG-CHWSQXEVSA-N 2 0 329.307 3.183 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC2)C1 ZINC000902438347 1317578379 /nfs/dbraw/zinc/57/83/79/1317578379.db2.gz MVVAPTOEBYEXCF-GDVKCFTOSA-N 2 0 327.516 3.244 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001020214327 1317596035 /nfs/dbraw/zinc/59/60/35/1317596035.db2.gz PVACDQSJCZYXPP-LWYYNNOASA-N 2 0 343.515 3.249 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020214044 1317596617 /nfs/dbraw/zinc/59/66/17/1317596617.db2.gz FTMNFUIMUMXHLJ-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020238771 1317604406 /nfs/dbraw/zinc/60/44/06/1317604406.db2.gz BTLRUFJQPXRFOO-UFYCRDLUSA-N 2 0 347.547 3.377 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020297312 1317634009 /nfs/dbraw/zinc/63/40/09/1317634009.db2.gz HBWJHZAXIJCZJQ-BNEJOLLZSA-N 2 0 349.906 3.122 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020302882 1317636045 /nfs/dbraw/zinc/63/60/45/1317636045.db2.gz WHEPBKGVUORXKD-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000957776592 1317639625 /nfs/dbraw/zinc/63/96/25/1317639625.db2.gz OOHMGLKGICOLSV-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C2 ZINC000903115854 1317656438 /nfs/dbraw/zinc/65/64/38/1317656438.db2.gz DOORWOVDAGHMLX-LDFOPSEGSA-N 2 0 336.907 3.470 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001020352995 1317657504 /nfs/dbraw/zinc/65/75/04/1317657504.db2.gz KHKAYMQMAGXACP-ATZDWAIDSA-N 2 0 348.450 3.254 20 0 EGADRP CN(C)Cc1csc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000903220941 1317675887 /nfs/dbraw/zinc/67/58/87/1317675887.db2.gz RMOVCQSNETUFCJ-UHFFFAOYSA-N 2 0 336.549 3.091 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903326911 1317687704 /nfs/dbraw/zinc/68/77/04/1317687704.db2.gz VYBCYPHEDMDPNI-AWEZNQCLSA-N 2 0 340.427 3.014 20 0 EGADRP Cn1nc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000903337514 1317688396 /nfs/dbraw/zinc/68/83/96/1317688396.db2.gz VVYPWHYRHZLPTA-UHFFFAOYSA-N 2 0 344.425 3.326 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@H](O)C2CC2)cc1C[NH+]1CCCCC1 ZINC000903409132 1317698028 /nfs/dbraw/zinc/69/80/28/1317698028.db2.gz VRQBWJBHTSNQMF-UZLBHIALSA-N 2 0 346.515 3.493 20 0 EGADRP Brc1cncc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)c1 ZINC000903565865 1317708284 /nfs/dbraw/zinc/70/82/84/1317708284.db2.gz FJQZAXZFBUGHTG-MRXNPFEDSA-N 2 0 338.293 3.371 20 0 EGADRP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734502 1317726811 /nfs/dbraw/zinc/72/68/11/1317726811.db2.gz RPCYIOHVDGJXJB-YJBOKZPZSA-N 2 0 336.907 3.362 20 0 EGADRP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730393 1317726985 /nfs/dbraw/zinc/72/69/85/1317726985.db2.gz WBVLBAJUAIOTBT-WOJBJXKFSA-N 2 0 328.500 3.161 20 0 EGADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733245 1317727233 /nfs/dbraw/zinc/72/72/33/1317727233.db2.gz JCRFTFCDNWNCRJ-HHXXYDBFSA-N 2 0 332.463 3.162 20 0 EGADRP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734714 1317727583 /nfs/dbraw/zinc/72/75/83/1317727583.db2.gz VERBSBRTWYOSOL-ACRUOGEOSA-N 2 0 328.500 3.100 20 0 EGADRP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903739763 1317728608 /nfs/dbraw/zinc/72/86/08/1317728608.db2.gz OYQUGCYXCXFSNT-CABCVRRESA-N 2 0 337.533 3.165 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000903794530 1317736332 /nfs/dbraw/zinc/73/63/32/1317736332.db2.gz YPLPXJYUKSBYBU-UHFFFAOYSA-N 2 0 346.478 3.365 20 0 EGADRP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892034 1317743791 /nfs/dbraw/zinc/74/37/91/1317743791.db2.gz PBRHISCBBXHVQL-DUZACMNTSA-N 2 0 349.469 3.174 20 0 EGADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000903900112 1317745511 /nfs/dbraw/zinc/74/55/11/1317745511.db2.gz YPUMZZHCMANDDM-ROUUACIJSA-N 2 0 331.508 3.137 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC000903922694 1317748542 /nfs/dbraw/zinc/74/85/42/1317748542.db2.gz CAVCMDGQMJFIEH-UHFFFAOYSA-N 2 0 326.440 3.029 20 0 EGADRP CC1(C)C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2cc(N)ccc2O1 ZINC000903919557 1317749171 /nfs/dbraw/zinc/74/91/71/1317749171.db2.gz OAEKHMGCJSEYEA-IBGZPJMESA-N 2 0 337.467 3.307 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000903939766 1317751658 /nfs/dbraw/zinc/75/16/58/1317751658.db2.gz LZAFTPIXAVHHAF-UHFFFAOYSA-N 2 0 340.393 3.167 20 0 EGADRP c1c2ccccc2sc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980082 1317760948 /nfs/dbraw/zinc/76/09/48/1317760948.db2.gz GLXOLOGCMIWBFB-HDICACEKSA-N 2 0 341.524 3.302 20 0 EGADRP C[NH2+][C@@H](CC(C)C)c1nc(-c2cccc(Cn3ccnc3)c2)no1 ZINC000904088078 1317786749 /nfs/dbraw/zinc/78/67/49/1317786749.db2.gz KJUMDJFVKSCEMB-INIZCTEOSA-N 2 0 325.416 3.288 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001020587561 1317792158 /nfs/dbraw/zinc/79/21/58/1317792158.db2.gz LAADSQJATRMREJ-WDSOQIARSA-N 2 0 343.515 3.031 20 0 EGADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000809545935 1317828345 /nfs/dbraw/zinc/82/83/45/1317828345.db2.gz UFVXXWFOCALWGW-UHFFFAOYSA-N 2 0 347.894 3.003 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000904374755 1317838999 /nfs/dbraw/zinc/83/89/99/1317838999.db2.gz WGMLKVQFINKXAM-JJRVBVJISA-N 2 0 342.405 3.482 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000904374753 1317839083 /nfs/dbraw/zinc/83/90/83/1317839083.db2.gz WGMLKVQFINKXAM-CKEIUWERSA-N 2 0 342.405 3.482 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1OCc1ccccc1 ZINC000904406013 1317842917 /nfs/dbraw/zinc/84/29/17/1317842917.db2.gz NKLWVZCJLXARRN-QGZVFWFLSA-N 2 0 340.467 3.445 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904527012 1317857183 /nfs/dbraw/zinc/85/71/83/1317857183.db2.gz JLOSQRHEZKDYTH-DLBZAZTESA-N 2 0 326.444 3.317 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000904651918 1317876633 /nfs/dbraw/zinc/87/66/33/1317876633.db2.gz KELBMAZDDDTVCT-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904663842 1317878424 /nfs/dbraw/zinc/87/84/24/1317878424.db2.gz ATPMPIPPNFKAPK-MAUKXSAKSA-N 2 0 338.455 3.102 20 0 EGADRP CC(C)Oc1cncc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC000906196562 1318052079 /nfs/dbraw/zinc/05/20/79/1318052079.db2.gz RPIJUUMYPCLOFJ-UHFFFAOYSA-N 2 0 325.456 3.459 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001021089364 1318077780 /nfs/dbraw/zinc/07/77/80/1318077780.db2.gz BIIWBXLJMPZHOV-WGSAOQKQSA-N 2 0 343.515 3.179 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001021096379 1318081882 /nfs/dbraw/zinc/08/18/82/1318081882.db2.gz PZVQNZNCOAHMAT-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001021357704 1318209238 /nfs/dbraw/zinc/20/92/38/1318209238.db2.gz NDYXERVIGYUJLA-UMQXSMKFSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)C1 ZINC001021380695 1318222921 /nfs/dbraw/zinc/22/29/21/1318222921.db2.gz QGUDWXLMEBVRSI-OHSMVPPVSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCCC2)C1 ZINC001021460779 1318265327 /nfs/dbraw/zinc/26/53/27/1318265327.db2.gz JOVWQOFREVEEHE-UMQXSMKFSA-N 2 0 347.547 3.020 20 0 EGADRP CN(C)Cc1ccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1Cl ZINC000907907340 1318278497 /nfs/dbraw/zinc/27/84/97/1318278497.db2.gz BKNHWWNFHZCCAD-NVXWUHKLSA-N 2 0 335.879 3.357 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC000960007430 1318309928 /nfs/dbraw/zinc/30/99/28/1318309928.db2.gz FYJLGNLQJQHRQE-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC000960132659 1318373866 /nfs/dbraw/zinc/37/38/66/1318373866.db2.gz XEVPIQVJEHGDSL-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000960310762 1318454798 /nfs/dbraw/zinc/45/47/98/1318454798.db2.gz OFZQBMHJSKOMOK-VAMGGRTRSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670620 1318535141 /nfs/dbraw/zinc/53/51/41/1318535141.db2.gz NEIDDPKELGOBHI-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739196 1318647361 /nfs/dbraw/zinc/64/73/61/1318647361.db2.gz HJXVOLRJDVRZPB-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCC2)CC[N@@H+]1C ZINC000960643790 1318763070 /nfs/dbraw/zinc/76/30/70/1318763070.db2.gz MQFHRZDZTPHURX-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001022165036 1318825667 /nfs/dbraw/zinc/82/56/67/1318825667.db2.gz STMINAKGVXDRIW-IJXRJRJASA-N 2 0 343.515 3.167 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001022434675 1318939978 /nfs/dbraw/zinc/93/99/78/1318939978.db2.gz LOXFKYOEGZZJPS-NXHRZFHOSA-N 2 0 348.450 3.254 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H](O)c2cccc(C)c2)CC1 ZINC000930146053 1328798158 /nfs/dbraw/zinc/79/81/58/1328798158.db2.gz PBKUUILOBMUTLF-NRFANRHFSA-N 2 0 348.531 3.099 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960868361 1319012178 /nfs/dbraw/zinc/01/21/78/1319012178.db2.gz IRLIALHOSGOPRW-PMACEKPBSA-N 2 0 345.531 3.066 20 0 EGADRP C[NH+](C)C1(C)CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000913389931 1319022399 /nfs/dbraw/zinc/02/23/99/1319022399.db2.gz NLLSRZQCGVJTPS-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960913139 1319060030 /nfs/dbraw/zinc/06/00/30/1319060030.db2.gz GDQORWSDDYCBNJ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C2CCN(C(C)=O)CC2)CC1)CC(C)C ZINC000930179269 1328805407 /nfs/dbraw/zinc/80/54/07/1328805407.db2.gz JTRFNOZZMQWJIO-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC001022711965 1319079546 /nfs/dbraw/zinc/07/95/46/1319079546.db2.gz HBPJCOGPPBVPPL-HCXYKTFWSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC(C)C2)CC1 ZINC000960960535 1319091935 /nfs/dbraw/zinc/09/19/35/1319091935.db2.gz XAQYHEYHZBDWDW-AFMYVXGZSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001022804399 1319117968 /nfs/dbraw/zinc/11/79/68/1319117968.db2.gz MSTURLSVGCOOGA-BWPNAZKDSA-N 2 0 343.515 3.249 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029764 1319152037 /nfs/dbraw/zinc/15/20/37/1319152037.db2.gz YMUIKBQBMAQAJQ-GOSISDBHSA-N 2 0 349.544 3.047 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)C(C)C)o1 ZINC000961047097 1319170191 /nfs/dbraw/zinc/17/01/91/1319170191.db2.gz KQMLZYBORHMODF-INIZCTEOSA-N 2 0 335.492 3.066 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022958275 1319186904 /nfs/dbraw/zinc/18/69/04/1319186904.db2.gz HUIDKRDELOGEQM-ZCNNSNEGSA-N 2 0 349.563 3.458 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)c2ccccc2OC)CC[NH2+]CC1 ZINC000817901087 1319454792 /nfs/dbraw/zinc/45/47/92/1319454792.db2.gz YWHFPYXKPOETSA-DOTOQJQBSA-N 2 0 348.487 3.057 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817905456 1319456274 /nfs/dbraw/zinc/45/62/74/1319456274.db2.gz NMMDSQIMRLHBSJ-IPZZXCBHSA-N 2 0 330.447 3.186 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000817902284 1319456636 /nfs/dbraw/zinc/45/66/36/1319456636.db2.gz MHQLPWUBHZTBJM-APWZRJJASA-N 2 0 343.858 3.123 20 0 EGADRP O[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCc2ccccc21 ZINC000817913575 1319458107 /nfs/dbraw/zinc/45/81/07/1319458107.db2.gz KFWINMBRQLPXJI-WJMWBRGCSA-N 2 0 328.500 3.111 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000817916264 1319459541 /nfs/dbraw/zinc/45/95/41/1319459541.db2.gz DNFQTIMJHSPILW-KKBVYLPWSA-N 2 0 326.843 3.023 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000817922971 1319462210 /nfs/dbraw/zinc/46/22/10/1319462210.db2.gz CBCZIBXRTSSDTB-ZWOKBUDYSA-N 2 0 340.467 3.229 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc(Br)ncc1F ZINC000817960204 1319477799 /nfs/dbraw/zinc/47/77/99/1319477799.db2.gz LMUFIZLUJNJJJS-OUJBWJOFSA-N 2 0 330.245 3.151 20 0 EGADRP COc1ccc([C@H](C)NC[C@@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000817959473 1319477815 /nfs/dbraw/zinc/47/78/15/1319477815.db2.gz ROOVZZHLEYCKKY-QFBILLFUSA-N 2 0 333.520 3.315 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1C[NH+]1CCCCC1 ZINC000817972662 1319482869 /nfs/dbraw/zinc/48/28/69/1319482869.db2.gz ZHKSFHCRLYPGRL-ZWOKBUDYSA-N 3 0 345.531 3.472 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817976449 1319484121 /nfs/dbraw/zinc/48/41/21/1319484121.db2.gz YPSJEGCCRKITQP-ULQDDVLXSA-N 2 0 329.488 3.229 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1C[NH+]1CCCCC1 ZINC000817983082 1319485138 /nfs/dbraw/zinc/48/51/38/1319485138.db2.gz YAENDPSKDCOBDC-ZWOKBUDYSA-N 3 0 345.531 3.459 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961366540 1319522278 /nfs/dbraw/zinc/52/22/78/1319522278.db2.gz IPOUEKGSWJOHPX-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP [NH3+]CCOc1cccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)c1 ZINC000818542718 1319555522 /nfs/dbraw/zinc/55/55/22/1319555522.db2.gz TUFICRLVMMYFQP-INIZCTEOSA-N 2 0 333.476 3.041 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])ccc1OC ZINC000818616030 1319571929 /nfs/dbraw/zinc/57/19/29/1319571929.db2.gz SQRVTUCBALSVEQ-KFKAGJAMSA-N 2 0 333.520 3.458 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001023569880 1319684978 /nfs/dbraw/zinc/68/49/78/1319684978.db2.gz VRZJBBFZPCEUNX-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819366163 1319710385 /nfs/dbraw/zinc/71/03/85/1319710385.db2.gz KERGONGRZWMHMF-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023632247 1319754234 /nfs/dbraw/zinc/75/42/34/1319754234.db2.gz HVKWFUWOPZXSTE-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000917394531 1319799858 /nfs/dbraw/zinc/79/98/58/1319799858.db2.gz BALLWAUYJVXGFT-UHFFFAOYSA-N 2 0 337.511 3.471 20 0 EGADRP CCCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000827519654 1320458223 /nfs/dbraw/zinc/45/82/23/1320458223.db2.gz QMUAPDFXIUQZBZ-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP CCOc1cc(C[NH2+]CC2CC[NH+](CC)CC2)ccc1OC(=O)CC ZINC000840894197 1321171707 /nfs/dbraw/zinc/17/17/07/1321171707.db2.gz SKFWLGHOVSPYHX-UHFFFAOYSA-N 2 0 348.487 3.222 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032801 1321204405 /nfs/dbraw/zinc/20/44/05/1321204405.db2.gz YIYLZDYNPGEPRQ-UHFFFAOYSA-N 2 0 348.494 3.339 20 0 EGADRP Cc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000841035756 1321206206 /nfs/dbraw/zinc/20/62/06/1321206206.db2.gz IJAMIOGPVJHMPQ-GOSISDBHSA-N 2 0 339.483 3.367 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc3nsnc32)cc1 ZINC000859214630 1328948208 /nfs/dbraw/zinc/94/82/08/1328948208.db2.gz LTFJPSXXDXHYQI-UHFFFAOYSA-N 2 0 326.469 3.385 20 0 EGADRP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215119 1328948278 /nfs/dbraw/zinc/94/82/78/1328948278.db2.gz ZQEKGIBOPRPUEX-OKZBNKHCSA-N 2 0 345.531 3.358 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC(=O)NCC2CCCCC2)cc1 ZINC000859214805 1328948287 /nfs/dbraw/zinc/94/82/87/1328948287.db2.gz OREFFBLNDDOYDA-UHFFFAOYSA-N 2 0 345.531 3.267 20 0 EGADRP CC[C@@]1([NH2+]CC[Si](C)(C)CC[NH2+][C@@]2(CC)CCOC2)CCOC1 ZINC000859276070 1328959119 /nfs/dbraw/zinc/95/91/19/1328959119.db2.gz GGWMYGTVPCKFMV-HDICACEKSA-N 2 0 342.600 3.012 20 0 EGADRP [NH3+]CCCCCCc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000843173333 1321481560 /nfs/dbraw/zinc/48/15/60/1321481560.db2.gz PCRZZMRCISNVJF-UHFFFAOYSA-N 2 0 328.460 3.394 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000843186042 1321484288 /nfs/dbraw/zinc/48/42/88/1321484288.db2.gz CKNIIRKERCHRPA-INIZCTEOSA-N 2 0 346.475 3.374 20 0 EGADRP c1cc(N2CCCCC2)ccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843342526 1321503052 /nfs/dbraw/zinc/50/30/52/1321503052.db2.gz NBSZPUIYMHMSPV-HSALFYBXSA-N 2 0 327.516 3.197 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+](C)C3CCC([NH3+])CC3)n2)cc1F ZINC000843354653 1321504720 /nfs/dbraw/zinc/50/47/20/1321504720.db2.gz AFWGNARCLJOTLS-UHFFFAOYSA-N 2 0 346.450 3.318 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2cc1C ZINC000843387209 1321509488 /nfs/dbraw/zinc/50/94/88/1321509488.db2.gz FQHDRVCXGLNTLE-IAGOWNOFSA-N 2 0 340.467 3.231 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843386790 1321509766 /nfs/dbraw/zinc/50/97/66/1321509766.db2.gz MJHNZPFYNIYHQK-DLBZAZTESA-N 2 0 340.467 3.313 20 0 EGADRP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843388692 1321510133 /nfs/dbraw/zinc/51/01/33/1321510133.db2.gz WJAPCULVUIHFCA-DLBZAZTESA-N 2 0 343.515 3.244 20 0 EGADRP COc1cccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)oc21 ZINC000844903110 1321656244 /nfs/dbraw/zinc/65/62/44/1321656244.db2.gz SIQCMJGZIGOVEQ-FCEWJHQRSA-N 2 0 344.455 3.160 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846224954 1321777547 /nfs/dbraw/zinc/77/75/47/1321777547.db2.gz GJUUKVHCZQAQQO-XERREHJYSA-N 2 0 337.467 3.228 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000846218402 1321777560 /nfs/dbraw/zinc/77/75/60/1321777560.db2.gz NDCJYZCAKGWRTI-SFHVURJKSA-N 2 0 332.492 3.182 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(Br)CC1 ZINC000846856736 1321817144 /nfs/dbraw/zinc/81/71/44/1321817144.db2.gz GLAOHKLMKIWYJW-GOEBONIOSA-N 2 0 337.305 3.414 20 0 EGADRP [NH2+]=C(NCCc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849056677 1322061061 /nfs/dbraw/zinc/06/10/61/1322061061.db2.gz APIBRVHHIPPQFX-UHFFFAOYSA-N 2 0 336.483 3.008 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000849058917 1322061682 /nfs/dbraw/zinc/06/16/82/1322061682.db2.gz TZQLQIILRUZGJU-LJQANCHMSA-N 2 0 330.520 3.365 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cc1 ZINC000849058757 1322061745 /nfs/dbraw/zinc/06/17/45/1322061745.db2.gz NSMRWPIEIMEIAN-KRWDZBQOSA-N 2 0 346.519 3.163 20 0 EGADRP C[C@H](CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000849102776 1322079251 /nfs/dbraw/zinc/07/92/51/1322079251.db2.gz UOOJBIRILIEQRO-MNOVXSKESA-N 2 0 331.291 3.366 20 0 EGADRP C[N@H+](CCCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000849116042 1322083756 /nfs/dbraw/zinc/08/37/56/1322083756.db2.gz ILASKNZGWSRHGM-UHFFFAOYSA-N 2 0 344.381 3.396 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000920759250 1322218896 /nfs/dbraw/zinc/21/88/96/1322218896.db2.gz YEEHZQUZKJUCHH-SFHVURJKSA-N 2 0 347.503 3.189 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCCC[NH+]2CCC(C)CC2)CC1 ZINC000850424659 1322246017 /nfs/dbraw/zinc/24/60/17/1322246017.db2.gz LRVXGKQLNGRWTA-UHFFFAOYSA-N 2 0 339.524 3.145 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1Cl ZINC000922388459 1322515780 /nfs/dbraw/zinc/51/57/80/1322515780.db2.gz FEGFDILCMUAAGQ-YRXWBPOGSA-N 2 0 336.907 3.218 20 0 EGADRP CCc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000923346195 1322738786 /nfs/dbraw/zinc/73/87/86/1322738786.db2.gz WCEMPOGXNMOZQI-IEBWSBKVSA-N 2 0 327.472 3.409 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923362492 1322740644 /nfs/dbraw/zinc/74/06/44/1322740644.db2.gz NMTNSTBQRCVSBE-JKIFEVAISA-N 2 0 342.405 3.060 20 0 EGADRP COc1ccc(C2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000923388540 1322744666 /nfs/dbraw/zinc/74/46/66/1322744666.db2.gz OUUYKKHAYWSTGV-ZNXRZULTSA-N 2 0 329.488 3.190 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H](CC[NH3+])C3)CCC2)c1 ZINC000923483437 1322759603 /nfs/dbraw/zinc/75/96/03/1322759603.db2.gz OQVGKULOHIZCSI-KRWDZBQOSA-N 2 0 332.488 3.053 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](CC[NH3+])C3)CCC2)c1 ZINC000923483438 1322759859 /nfs/dbraw/zinc/75/98/59/1322759859.db2.gz OQVGKULOHIZCSI-QGZVFWFLSA-N 2 0 332.488 3.053 20 0 EGADRP COc1ccccc1OCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924557349 1323055730 /nfs/dbraw/zinc/05/57/30/1323055730.db2.gz SYDWFCQJRBNQJZ-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000924578528 1323061273 /nfs/dbraw/zinc/06/12/73/1323061273.db2.gz BBAKXRDPBKRZRI-LEWJYISDSA-N 2 0 340.515 3.243 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)CCC1 ZINC001024016532 1323079186 /nfs/dbraw/zinc/07/91/86/1323079186.db2.gz HUQNZJNESYBFIO-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000924647109 1323091670 /nfs/dbraw/zinc/09/16/70/1323091670.db2.gz YMGVVSNGCILEAM-MRXNPFEDSA-N 2 0 326.488 3.174 20 0 EGADRP CN(CC=C(Cl)Cl)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000851802899 1323092609 /nfs/dbraw/zinc/09/26/09/1323092609.db2.gz MWHKUKOFFFKJBI-UHFFFAOYSA-N 3 0 348.362 3.434 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001024118746 1323147997 /nfs/dbraw/zinc/14/79/97/1323147997.db2.gz KAPWSZZUTSDPBS-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000924870704 1323194671 /nfs/dbraw/zinc/19/46/71/1323194671.db2.gz UGXZHPBQERUEQX-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000852563964 1323209692 /nfs/dbraw/zinc/20/96/92/1323209692.db2.gz XHVXBNPLHAPQNK-WOJBJXKFSA-N 2 0 332.536 3.377 20 0 EGADRP COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924998389 1323240638 /nfs/dbraw/zinc/24/06/38/1323240638.db2.gz BECGGONUWOFZGU-KRWDZBQOSA-N 2 0 347.547 3.288 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1coc2ccccc12 ZINC000925042739 1323254075 /nfs/dbraw/zinc/25/40/75/1323254075.db2.gz SWPGZXOCBBMIRO-HOTGVXAUSA-N 2 0 327.472 3.252 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001024366705 1323340816 /nfs/dbraw/zinc/34/08/16/1323340816.db2.gz UTHUIZWOATYUQX-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440288 1323402061 /nfs/dbraw/zinc/40/20/61/1323402061.db2.gz MLKFLZISPQUUNE-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448360 1323407474 /nfs/dbraw/zinc/40/74/74/1323407474.db2.gz KMGVUNZVHGGOHI-CEXWTWQISA-N 2 0 337.552 3.124 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CCC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479769 1323433694 /nfs/dbraw/zinc/43/36/94/1323433694.db2.gz PHDXLJAQGZDTMP-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024692577 1323608716 /nfs/dbraw/zinc/60/87/16/1323608716.db2.gz PBRHEAKGKNNWIV-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024692575 1323609404 /nfs/dbraw/zinc/60/94/04/1323609404.db2.gz PBRHEAKGKNNWIV-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811600 1323713328 /nfs/dbraw/zinc/71/33/28/1323713328.db2.gz VBJWHMJAKPXMND-PXNSSMCTSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024820158 1323725514 /nfs/dbraw/zinc/72/55/14/1323725514.db2.gz VXRCQRWAVHCZPO-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024989198 1323814306 /nfs/dbraw/zinc/81/43/06/1323814306.db2.gz FHWMFWPFQYZOGH-QZTJIDSGSA-N 2 0 349.544 3.093 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025002332 1323820252 /nfs/dbraw/zinc/82/02/52/1323820252.db2.gz BQJINEJFRCJSHA-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001025279333 1324100598 /nfs/dbraw/zinc/10/05/98/1324100598.db2.gz ZYBJTAITUNRMMC-PMACEKPBSA-N 2 0 343.515 3.227 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025286291 1324107569 /nfs/dbraw/zinc/10/75/69/1324107569.db2.gz IOUYTZIZVLIYNB-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001025301694 1324135718 /nfs/dbraw/zinc/13/57/18/1324135718.db2.gz OKPRKJXYQDHUJX-VQTJNVASSA-N 2 0 343.515 3.227 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001025465944 1324310809 /nfs/dbraw/zinc/31/08/09/1324310809.db2.gz XCBSFHLYMLGKQR-WBVHZDCISA-N 2 0 342.487 3.129 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630416 1324481639 /nfs/dbraw/zinc/48/16/39/1324481639.db2.gz SQNHPICNGOYIDN-IAGOWNOFSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)CC[N@@H+]1C ZINC001026496898 1324847522 /nfs/dbraw/zinc/84/75/22/1324847522.db2.gz ZHSCZYAKMWEXFB-SGZDXZSOSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026502868 1324852562 /nfs/dbraw/zinc/85/25/62/1324852562.db2.gz DPKDFBGVCGNKAV-MHJFOBGBSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026515975 1324862667 /nfs/dbraw/zinc/86/26/67/1324862667.db2.gz PRLGVTGJJPBOCQ-CTWPCTMYSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001026561125 1324896840 /nfs/dbraw/zinc/89/68/40/1324896840.db2.gz PCSYVQMHGKXEGK-IVMQYODDSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133945 1325059332 /nfs/dbraw/zinc/05/93/32/1325059332.db2.gz QAYVFMQVURWPFP-VGSWGCGISA-N 2 0 349.478 3.456 20 0 EGADRP Cc1nonc1[C@H](C)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925135529 1325059529 /nfs/dbraw/zinc/05/95/29/1325059529.db2.gz XSDQBUAJNSTGNK-AWEZNQCLSA-N 2 0 340.427 3.454 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026897908 1325067559 /nfs/dbraw/zinc/06/75/59/1325067559.db2.gz WQGXAUMUZMNXQF-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3CC[C@H](C4CCCCC4)C3=O)C2)CC1 ZINC000853504726 1325106979 /nfs/dbraw/zinc/10/69/79/1325106979.db2.gz ODVDAOKFJXNLFY-WOJBJXKFSA-N 2 0 347.547 3.036 20 0 EGADRP COc1ccc(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1OC ZINC000925487322 1325172689 /nfs/dbraw/zinc/17/26/89/1325172689.db2.gz BZPIDPPRFOCJTB-SFHVURJKSA-N 2 0 328.456 3.316 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925493880 1325176919 /nfs/dbraw/zinc/17/69/19/1325176919.db2.gz RZSGJHPGMMJIOT-QAPCUYQASA-N 2 0 333.907 3.431 20 0 EGADRP COc1ccc(OC)c(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925502865 1325181368 /nfs/dbraw/zinc/18/13/68/1325181368.db2.gz HVSMJTMYXJZHJF-IBGZPJMESA-N 2 0 328.456 3.316 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1coc2ccccc21 ZINC000925554881 1325205475 /nfs/dbraw/zinc/20/54/75/1325205475.db2.gz DWDGFAIAFSIBSM-ZOCIIQOWSA-N 2 0 328.456 3.461 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000925604444 1325230200 /nfs/dbraw/zinc/23/02/00/1325230200.db2.gz YTZGBORZDVIRAK-GIOYIUAESA-N 2 0 331.529 3.163 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854232542 1325233248 /nfs/dbraw/zinc/23/32/48/1325233248.db2.gz SUZFDAKXFJCHSY-FUHWJXTLSA-N 2 0 344.503 3.007 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426456 1325234423 /nfs/dbraw/zinc/23/44/23/1325234423.db2.gz AXDHYZPRSBZACP-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(c3ccc(F)c(Cl)c3)C1)[NH2+]2 ZINC000925628814 1325237949 /nfs/dbraw/zinc/23/79/49/1325237949.db2.gz JOZMGJUPJQWUEV-VQOQZMAISA-N 2 0 337.870 3.176 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000925651968 1325247371 /nfs/dbraw/zinc/24/73/71/1325247371.db2.gz MLWBSKDMAJHBOR-IKGGRYGDSA-N 2 0 328.591 3.466 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000925657476 1325251769 /nfs/dbraw/zinc/25/17/69/1325251769.db2.gz SQPFBDNPUZRQAL-KWOWKCNFSA-N 2 0 342.405 3.276 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000925669667 1325256159 /nfs/dbraw/zinc/25/61/59/1325256159.db2.gz DJIOVMMYKALQDW-OSHAMATESA-N 2 0 337.467 3.266 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000925672589 1325257040 /nfs/dbraw/zinc/25/70/40/1325257040.db2.gz IJJCFNYMNVPSSB-BHYGNILZSA-N 2 0 344.503 3.163 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925671097 1325257084 /nfs/dbraw/zinc/25/70/84/1325257084.db2.gz QMCSWXVROFZIFV-QRWLVFNGSA-N 2 0 330.447 3.142 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(c3ccc(Cl)cc3F)C1)[NH2+]2 ZINC000925719005 1325269939 /nfs/dbraw/zinc/26/99/39/1325269939.db2.gz PFQLLKSNOROLHD-VTQNTBAGSA-N 2 0 337.870 3.176 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1 ZINC000925830232 1325320605 /nfs/dbraw/zinc/32/06/05/1325320605.db2.gz COYKOCDVXHMMIP-JKSUJKDBSA-N 2 0 329.410 3.083 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000963565289 1325322469 /nfs/dbraw/zinc/32/24/69/1325322469.db2.gz YZSSKQXGFLGINK-MHJFOBGBSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000925843794 1325325905 /nfs/dbraw/zinc/32/59/05/1325325905.db2.gz PGIPLHSJWPYFLY-CWJKEVGVSA-N 2 0 327.516 3.161 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(C)c1OC ZINC000925876784 1325339797 /nfs/dbraw/zinc/33/97/97/1325339797.db2.gz IGKMACPXVKPVQS-MSOLQXFVSA-N 2 0 332.488 3.270 20 0 EGADRP CC(C)[NH+](CCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)C(C)C ZINC000856725484 1325513478 /nfs/dbraw/zinc/51/34/78/1325513478.db2.gz LYGMJAIVFOHVAY-FQEVSTJZSA-N 2 0 345.531 3.344 20 0 EGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(-c2ccccc2)no1 ZINC000926356058 1325525528 /nfs/dbraw/zinc/52/55/28/1325525528.db2.gz CQJKKWPURIDYID-INIZCTEOSA-N 2 0 342.487 3.018 20 0 EGADRP C[NH+](C)C1(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CCCC1 ZINC000856960080 1325545815 /nfs/dbraw/zinc/54/58/15/1325545815.db2.gz LMNJZNQAPDSCKG-IBGZPJMESA-N 2 0 343.515 3.100 20 0 EGADRP C[C@@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)C(C)(C)C[NH+](C)C ZINC000857136372 1325577949 /nfs/dbraw/zinc/57/79/49/1325577949.db2.gz IKFSOTOGQOIVIT-APWZRJJASA-N 2 0 345.531 3.202 20 0 EGADRP CC(C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000964645220 1327617956 /nfs/dbraw/zinc/61/79/56/1327617956.db2.gz XDFIJAQAHKMVRT-JDKNDNFBSA-N 2 0 347.547 3.209 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027432685 1327672025 /nfs/dbraw/zinc/67/20/25/1327672025.db2.gz HZTBIDYLPMRWNM-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442437 1327680997 /nfs/dbraw/zinc/68/09/97/1327680997.db2.gz UMBQDPIZHRNJLQ-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001027451523 1327693894 /nfs/dbraw/zinc/69/38/94/1327693894.db2.gz CBBRJEVKLKDJQB-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027470390 1327725118 /nfs/dbraw/zinc/72/51/18/1327725118.db2.gz PEROYONBQKVSMN-GOSISDBHSA-N 2 0 337.552 3.218 20 0 EGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000926909455 1327770535 /nfs/dbraw/zinc/77/05/35/1327770535.db2.gz CDNBEEXLASZJLP-SWLSCSKDSA-N 2 0 325.294 3.372 20 0 EGADRP Cc1ccc(NCC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000927073376 1327842986 /nfs/dbraw/zinc/84/29/86/1327842986.db2.gz KVPBKBXDOSHILT-AZUAARDMSA-N 2 0 338.499 3.302 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CC3CCCCCC3)C2)C1 ZINC001027576535 1327914268 /nfs/dbraw/zinc/91/42/68/1327914268.db2.gz QNPWRAACKYJLNX-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965347287 1327983159 /nfs/dbraw/zinc/98/31/59/1327983159.db2.gz OTMPQKREYAQVPL-MBEFBZSESA-N 2 0 347.547 3.066 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC)C2 ZINC000965814629 1328037008 /nfs/dbraw/zinc/03/70/08/1328037008.db2.gz NKPSYYOKNQVUQF-QAELIBMJSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027694354 1328101318 /nfs/dbraw/zinc/10/13/18/1328101318.db2.gz WDOOHOKLUZJXBS-ROUUACIJSA-N 2 0 349.544 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027695366 1328102930 /nfs/dbraw/zinc/10/29/30/1328102930.db2.gz RZQYUVPUHYKLPH-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)C(C)C)C2)o1 ZINC001027699522 1328113556 /nfs/dbraw/zinc/11/35/56/1328113556.db2.gz GBGVBVNQBNCAHT-INIZCTEOSA-N 2 0 335.492 3.066 20 0 EGADRP CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000928011519 1328171267 /nfs/dbraw/zinc/17/12/67/1328171267.db2.gz VNJLGTIMMZTPDP-BIXGBWIQSA-N 2 0 347.547 3.307 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027919393 1328397306 /nfs/dbraw/zinc/39/73/06/1328397306.db2.gz VPCYPTRGWAVNDO-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027973012 1328447880 /nfs/dbraw/zinc/44/78/80/1328447880.db2.gz ZYXREMYDAMKCAT-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027986401 1328457954 /nfs/dbraw/zinc/45/79/54/1328457954.db2.gz WCDXHDIPSDDZBO-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028046091 1328512168 /nfs/dbraw/zinc/51/21/68/1328512168.db2.gz YJRILRWOVTUZCI-PKOBYXMFSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000865715360 1329731960 /nfs/dbraw/zinc/73/19/60/1329731960.db2.gz QDGRNTSOQGWCNS-UHFFFAOYSA-N 2 0 345.466 3.007 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000935196184 1330034824 /nfs/dbraw/zinc/03/48/24/1330034824.db2.gz FIOYRYZQYPTMPP-IBGZPJMESA-N 2 0 329.488 3.136 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)OCCO1 ZINC000866423954 1330109870 /nfs/dbraw/zinc/10/98/70/1330109870.db2.gz BINSHPKUPPUUTF-BJLQDIEVSA-N 2 0 346.515 3.276 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868188153 1330260528 /nfs/dbraw/zinc/26/05/28/1330260528.db2.gz VOLQYFKRULHJTD-RBUKOAKNSA-N 2 0 344.503 3.085 20 0 EGADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC000939064161 1330367948 /nfs/dbraw/zinc/36/79/48/1330367948.db2.gz RRUQBRQNWKPYDV-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780190 1331190878 /nfs/dbraw/zinc/19/08/78/1331190878.db2.gz LEYSEDFFABTVKJ-OAHLLOKOSA-N 2 0 337.533 3.050 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC000942206466 1331878769 /nfs/dbraw/zinc/87/87/69/1331878769.db2.gz ZTIUFQUQYPHRIZ-KXBFYZLASA-N 2 0 342.487 3.129 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598364 1331996683 /nfs/dbraw/zinc/99/66/83/1331996683.db2.gz WNGWAHVVSCLOMX-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289318 1332138694 /nfs/dbraw/zinc/13/86/94/1332138694.db2.gz PZBLUEDSMHRKAM-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943516774 1332191847 /nfs/dbraw/zinc/19/18/47/1332191847.db2.gz MTGNDOPRVDESJQ-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631411 1332866443 /nfs/dbraw/zinc/86/64/43/1332866443.db2.gz GDMSKDLNVKEZCC-VNTMZGSJSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904538 1332929183 /nfs/dbraw/zinc/92/91/83/1332929183.db2.gz ITEDRFWHKCZHPU-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947473612 1333142500 /nfs/dbraw/zinc/14/25/00/1333142500.db2.gz NWIBKZXTAKEVFV-ZBFHGGJFSA-N 2 0 328.460 3.026 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC000947685293 1333222786 /nfs/dbraw/zinc/22/27/86/1333222786.db2.gz MJPOMWGFRAJPKM-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947775518 1333257599 /nfs/dbraw/zinc/25/75/99/1333257599.db2.gz OJMKAXWKDXSVTH-QFBILLFUSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC(C)(C)C ZINC000947776063 1333258569 /nfs/dbraw/zinc/25/85/69/1333258569.db2.gz TVMSRKKGZGOULU-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947776452 1333258769 /nfs/dbraw/zinc/25/87/69/1333258769.db2.gz WFVIRFWEXDGUFI-LPHOPBHVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000948039399 1333350001 /nfs/dbraw/zinc/35/00/01/1333350001.db2.gz GPCKCLYFUFOREC-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCCC1CCCC1 ZINC000948040645 1333350244 /nfs/dbraw/zinc/35/02/44/1333350244.db2.gz REBYIOSNDNDIKZ-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948055449 1333357323 /nfs/dbraw/zinc/35/73/23/1333357323.db2.gz CEJZLTAGJCYIQJ-YLJYHZDGSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC000948389822 1333505005 /nfs/dbraw/zinc/50/50/05/1333505005.db2.gz YMBBMQCUSSFPJH-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948552786 1333571840 /nfs/dbraw/zinc/57/18/40/1333571840.db2.gz BLPMVERJZRHNBQ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948583172 1333584434 /nfs/dbraw/zinc/58/44/34/1333584434.db2.gz KDOUMAAWKXAPHR-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948771836 1333672074 /nfs/dbraw/zinc/67/20/74/1333672074.db2.gz QPVASLKQUZMYBB-HXUWFJFHSA-N 2 0 345.531 3.126 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948772629 1333672285 /nfs/dbraw/zinc/67/22/85/1333672285.db2.gz ZNRCWZAHAIRGCO-HXUWFJFHSA-N 2 0 345.531 3.127 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772146 1333672582 /nfs/dbraw/zinc/67/25/82/1333672582.db2.gz UEMGLGCSEPOFID-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829590 1333702016 /nfs/dbraw/zinc/70/20/16/1333702016.db2.gz RBZUJSVRZCUJIG-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CCCC3CCC3)C2)C1 ZINC000951211826 1334209632 /nfs/dbraw/zinc/20/96/32/1334209632.db2.gz BBHSKJWUZBZBGK-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[N@H+](CCC(C)C)CC[C@@H]2C)ccc2c[nH+]cn21 ZINC000967086930 1335658719 /nfs/dbraw/zinc/65/87/19/1335658719.db2.gz MOYZQFNYUOKPFC-KXBFYZLASA-N 2 0 342.487 3.129 20 0 EGADRP C[C@H]1CC[N@H+](CCC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330594 1335891608 /nfs/dbraw/zinc/89/16/08/1335891608.db2.gz BREUUJAAUGGNQW-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968646204 1335994690 /nfs/dbraw/zinc/99/46/90/1335994690.db2.gz BVLLIQJZEBMDMX-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC000968673513 1336004759 /nfs/dbraw/zinc/00/47/59/1336004759.db2.gz YCXXAWQYZZNENH-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cnc2cc(C(=O)NC[C@H]3CCCCC[N@H+]3CC(C)C)ccn12 ZINC000968858369 1336070550 /nfs/dbraw/zinc/07/05/50/1336070550.db2.gz CNAHBHBDZITWPU-GOSISDBHSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC000968990015 1336111609 /nfs/dbraw/zinc/11/16/09/1336111609.db2.gz PWUFCQSEQZCEQO-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCCCC2)CC1 ZINC000969013785 1336118366 /nfs/dbraw/zinc/11/83/66/1336118366.db2.gz GPRMIKQZPOUYIE-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000969353044 1336202424 /nfs/dbraw/zinc/20/24/24/1336202424.db2.gz MSTJLMJVDCHDPD-SJLPKXTDSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680831 1336236690 /nfs/dbraw/zinc/23/66/90/1336236690.db2.gz OZORZJJEECKOLQ-MSOLQXFVSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969969661 1336267949 /nfs/dbraw/zinc/26/79/49/1336267949.db2.gz PDQLICWRNLDSET-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005569492 1336372785 /nfs/dbraw/zinc/37/27/85/1336372785.db2.gz NGWDSEBUAQFLDA-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005872273 1336413765 /nfs/dbraw/zinc/41/37/65/1336413765.db2.gz UJCUMWPXMKABFI-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001006183314 1336463453 /nfs/dbraw/zinc/46/34/53/1336463453.db2.gz JKCRASUBKBACJO-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001006183346 1336463679 /nfs/dbraw/zinc/46/36/79/1336463679.db2.gz MBFGAEKIGGPLHG-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006293188 1336484787 /nfs/dbraw/zinc/48/47/87/1336484787.db2.gz XOAAIHLYZXYPSV-PKOBYXMFSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006441093 1336506280 /nfs/dbraw/zinc/50/62/80/1336506280.db2.gz BXYONRXHCFHKFT-IAGOWNOFSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006444013 1336506833 /nfs/dbraw/zinc/50/68/33/1336506833.db2.gz PDGMULVUMMURKM-QZTJIDSGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001007496645 1336657637 /nfs/dbraw/zinc/65/76/37/1336657637.db2.gz QHMCATZYRIABIC-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007649675 1336684234 /nfs/dbraw/zinc/68/42/34/1336684234.db2.gz WTTHIKHRQRYKJK-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008052748 1336759447 /nfs/dbraw/zinc/75/94/47/1336759447.db2.gz OPITTXXHTLGBMR-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014415382 1337771491 /nfs/dbraw/zinc/77/14/91/1337771491.db2.gz UGJNKTPWNBFXSG-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014631966 1337853573 /nfs/dbraw/zinc/85/35/73/1337853573.db2.gz PTLKFYWKLGMCQR-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014724657 1337885852 /nfs/dbraw/zinc/88/58/52/1337885852.db2.gz WOTMVQHIBDWEIK-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015056695 1338004340 /nfs/dbraw/zinc/00/43/40/1338004340.db2.gz IEVHGZHJHQENNO-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015795421 1338314503 /nfs/dbraw/zinc/31/45/03/1338314503.db2.gz OYLLIOJCAXURRA-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCC(C)C)CC3)C1 ZINC001016788809 1338728053 /nfs/dbraw/zinc/72/80/53/1338728053.db2.gz DOLJBSWZMMENAR-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001017225408 1338965928 /nfs/dbraw/zinc/96/59/28/1338965928.db2.gz YMLVGDIBULCBAC-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)C(C)C)C1 ZINC001017247233 1338977717 /nfs/dbraw/zinc/97/77/17/1338977717.db2.gz VFGDPMZINRFVDO-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001017262650 1338989521 /nfs/dbraw/zinc/98/95/21/1338989521.db2.gz DKGXWIIENAAGBZ-MOPGFXCFSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018312504 1339572484 /nfs/dbraw/zinc/57/24/84/1339572484.db2.gz FEYGMLAAWORGPV-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093032 1340421830 /nfs/dbraw/zinc/42/18/30/1340421830.db2.gz GKBXFAHNXIKDHY-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001028181133 1340471266 /nfs/dbraw/zinc/47/12/66/1340471266.db2.gz OONHVBJMEBCFPZ-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001028181132 1340471340 /nfs/dbraw/zinc/47/13/40/1340471340.db2.gz OONHVBJMEBCFPZ-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CC2)o1 ZINC001028343520 1340583510 /nfs/dbraw/zinc/58/35/10/1340583510.db2.gz ONOUEHWQCBMEKK-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028579865 1340712801 /nfs/dbraw/zinc/71/28/01/1340712801.db2.gz KEOLUKZHECKYLN-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028647681 1340742569 /nfs/dbraw/zinc/74/25/69/1340742569.db2.gz LQKWGINKPDPOHB-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001028756153 1340792013 /nfs/dbraw/zinc/79/20/13/1340792013.db2.gz YBNUHPIEZSLAEZ-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001029108178 1340931701 /nfs/dbraw/zinc/93/17/01/1340931701.db2.gz XTGWMKZWKPAVEK-OXQOHEQNSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001029124461 1340935792 /nfs/dbraw/zinc/93/57/92/1340935792.db2.gz IBLVJTMZBPMNOW-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001029151249 1340943510 /nfs/dbraw/zinc/94/35/10/1340943510.db2.gz ADHZLKKHVRWQNF-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)C)o1 ZINC001029605275 1341020858 /nfs/dbraw/zinc/02/08/58/1341020858.db2.gz BWFKWFXSUMLPLP-CALCHBBNSA-N 2 0 347.503 3.066 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029751633 1341063841 /nfs/dbraw/zinc/06/38/41/1341063841.db2.gz YQDFMWJYPNAXOT-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029755011 1341064378 /nfs/dbraw/zinc/06/43/78/1341064378.db2.gz HHWATEPXMCRPBJ-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001029910428 1341113664 /nfs/dbraw/zinc/11/36/64/1341113664.db2.gz LBKMBLWVXKIBHO-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C[N@H+](C)CC3CCCCC3)CC2)CCC1 ZINC001029970087 1341139057 /nfs/dbraw/zinc/13/90/57/1341139057.db2.gz LAZASMILSFJQMO-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH+](C)CC3CCCCC3)CC2)C1 ZINC001029995675 1341151196 /nfs/dbraw/zinc/15/11/96/1341151196.db2.gz UVKUQTXIARRBKR-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH+](C)CC2CCCCC2)CC1 ZINC001029995258 1341151259 /nfs/dbraw/zinc/15/12/59/1341151259.db2.gz DWSFLIGOOHNSHK-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)C1 ZINC001030010467 1341156864 /nfs/dbraw/zinc/15/68/64/1341156864.db2.gz ROCHLLGMNAMARS-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001031254573 1341304346 /nfs/dbraw/zinc/30/43/46/1341304346.db2.gz VNKMVQVSKHYSFU-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001031706896 1341391662 /nfs/dbraw/zinc/39/16/62/1341391662.db2.gz KGSYKDZCOKYHAP-UHFFFAOYSA-N 2 0 349.544 3.052 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001031918974 1341421926 /nfs/dbraw/zinc/42/19/26/1341421926.db2.gz ZPMGGCVJAPKYIQ-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001032129031 1341459983 /nfs/dbraw/zinc/45/99/83/1341459983.db2.gz PAQUDMVYYYWTFU-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032445235 1341511822 /nfs/dbraw/zinc/51/18/22/1341511822.db2.gz ANIZCYZQXPBVKU-UFYCRDLUSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033126393 1341733994 /nfs/dbraw/zinc/73/39/94/1341733994.db2.gz MPFKEOXISOXBJC-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033144767 1341738939 /nfs/dbraw/zinc/73/89/39/1341738939.db2.gz BQHRXBYOJVQLGX-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033270310 1341764863 /nfs/dbraw/zinc/76/48/63/1341764863.db2.gz DKEPDRJPHAZLQT-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033319446 1341779939 /nfs/dbraw/zinc/77/99/39/1341779939.db2.gz QABPBEZGRUZDJD-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033354042 1341793402 /nfs/dbraw/zinc/79/34/02/1341793402.db2.gz LXYMZRIRXXODQZ-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001033420288 1341821781 /nfs/dbraw/zinc/82/17/81/1341821781.db2.gz NTKNUNKTSYXGJM-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033472639 1341840050 /nfs/dbraw/zinc/84/00/50/1341840050.db2.gz ZLEACGGHOHRXBN-MOPGFXCFSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033472599 1341840103 /nfs/dbraw/zinc/84/01/03/1341840103.db2.gz YXPRSOFBMQETAN-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033472229 1341840360 /nfs/dbraw/zinc/84/03/60/1341840360.db2.gz UOYUAZZQGZTJMK-ROUUACIJSA-N 2 0 337.552 3.218 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033856686 1342047022 /nfs/dbraw/zinc/04/70/22/1342047022.db2.gz VOZBFFYERVZCFD-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001033939626 1342101632 /nfs/dbraw/zinc/10/16/32/1342101632.db2.gz CDVMAHIMPYGLHU-QLOJAFMTSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034204306 1342315196 /nfs/dbraw/zinc/31/51/96/1342315196.db2.gz LQHGXCYWERFAMU-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP CC1CC(C[N@@H+]2CCCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001034211380 1342320737 /nfs/dbraw/zinc/32/07/37/1342320737.db2.gz LZYUFZJDXJCQPJ-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001034214704 1342322148 /nfs/dbraw/zinc/32/21/48/1342322148.db2.gz PGQFNBKJIPWZOJ-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034248430 1342346283 /nfs/dbraw/zinc/34/62/83/1342346283.db2.gz CAACQJCWVOKECY-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285183 1342373261 /nfs/dbraw/zinc/37/32/61/1342373261.db2.gz QXKJPNQOLQDXQD-DOTOQJQBSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331146 1342405821 /nfs/dbraw/zinc/40/58/21/1342405821.db2.gz RYDRCRYSQKJKMT-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001034339392 1342413582 /nfs/dbraw/zinc/41/35/82/1342413582.db2.gz DVGYORWJWJUBKR-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034394295 1342462335 /nfs/dbraw/zinc/46/23/35/1342462335.db2.gz KVXRQTUIVWLHTL-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444337 1342504567 /nfs/dbraw/zinc/50/45/67/1342504567.db2.gz FOFBPQHCANKLRG-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445030 1342505041 /nfs/dbraw/zinc/50/50/41/1342505041.db2.gz PGDHTBVOCDIBTI-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001034462446 1342517925 /nfs/dbraw/zinc/51/79/25/1342517925.db2.gz NTSGQOAAEFLMNH-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034463988 1342519031 /nfs/dbraw/zinc/51/90/31/1342519031.db2.gz WFSXQGWWCXJZQF-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034491860 1342548163 /nfs/dbraw/zinc/54/81/63/1342548163.db2.gz ZEHPKEIIXBVWFC-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535220 1342590879 /nfs/dbraw/zinc/59/08/79/1342590879.db2.gz CWKKIZVZXOWYBG-VQIMIIECSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034537499 1342594756 /nfs/dbraw/zinc/59/47/56/1342594756.db2.gz CFLINYOBHRXZPB-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543330 1342604082 /nfs/dbraw/zinc/60/40/82/1342604082.db2.gz ZXINEWCOFZPXNF-MJGOQNOKSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034610407 1342646380 /nfs/dbraw/zinc/64/63/80/1342646380.db2.gz NVFXNDZRDIJRDW-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034659675 1342675936 /nfs/dbraw/zinc/67/59/36/1342675936.db2.gz XHILLLOFBCUXRJ-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001034757385 1342741502 /nfs/dbraw/zinc/74/15/02/1342741502.db2.gz YMOONLOKRRVXEW-WGSAOQKQSA-N 2 0 331.504 3.035 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)C1 ZINC001034775519 1342752904 /nfs/dbraw/zinc/75/29/04/1342752904.db2.gz BTTXVZJTSFKNAH-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001035020350 1342880401 /nfs/dbraw/zinc/88/04/01/1342880401.db2.gz XVJIKWGGQQOKMA-NSHGMRRFSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001035020294 1342880899 /nfs/dbraw/zinc/88/08/99/1342880899.db2.gz UCHBRSXIKBKGHX-RLLQIKCJSA-N 2 0 343.515 3.121 20 0 EGADRP CCCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001035051930 1342899616 /nfs/dbraw/zinc/89/96/16/1342899616.db2.gz AILBFSVTTASBGQ-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035101011 1342927160 /nfs/dbraw/zinc/92/71/60/1342927160.db2.gz CVBAOOPJIFEVLI-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233559 1343054926 /nfs/dbraw/zinc/05/49/26/1343054926.db2.gz IRWWEAIHOIJQIB-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(C[NH+](C[C@@H](C)CC)C3)CC2)C1 ZINC001035773322 1343184638 /nfs/dbraw/zinc/18/46/38/1343184638.db2.gz XBDQJKGPKGXLFY-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035837174 1343220472 /nfs/dbraw/zinc/22/04/72/1343220472.db2.gz QNNKJZDCQCTLEU-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001036399756 1343464987 /nfs/dbraw/zinc/46/49/87/1343464987.db2.gz ILMNEIAAZQKZHB-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001036423702 1343478251 /nfs/dbraw/zinc/47/82/51/1343478251.db2.gz DPWWLOCKGOQNNP-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036577334 1343562474 /nfs/dbraw/zinc/56/24/74/1343562474.db2.gz GHTOHZQFJUNJTL-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036581584 1343564598 /nfs/dbraw/zinc/56/45/98/1343564598.db2.gz ULKFECVTDGSDDP-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCC2)cc1 ZINC001037091602 1343974034 /nfs/dbraw/zinc/97/40/34/1343974034.db2.gz HDQBPBKWIHAUFZ-PMACEKPBSA-N 2 0 343.515 3.036 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001037220451 1344051606 /nfs/dbraw/zinc/05/16/06/1344051606.db2.gz IGCFIZASDVZVRI-SJLPKXTDSA-N 2 0 347.503 3.020 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037856947 1344142296 /nfs/dbraw/zinc/14/22/96/1344142296.db2.gz AQOMHWBEJCHQSB-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038329379 1344381959 /nfs/dbraw/zinc/38/19/59/1344381959.db2.gz PVILKIMKHZECJH-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353485 1344393886 /nfs/dbraw/zinc/39/38/86/1344393886.db2.gz NKSSVAVSEWCVDM-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038464252 1344435329 /nfs/dbraw/zinc/43/53/29/1344435329.db2.gz CEJURCFANKLAIE-VQIMIIECSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039133748 1344811467 /nfs/dbraw/zinc/81/14/67/1344811467.db2.gz LPOSXJSQUPVYJS-WOJBJXKFSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167568 1344854792 /nfs/dbraw/zinc/85/47/92/1344854792.db2.gz XSFZZQSMCMAHJB-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1)[NH+]1CCCC1 ZINC001039176238 1344868637 /nfs/dbraw/zinc/86/86/37/1344868637.db2.gz QEIODDDHFSVSNR-WOJBJXKFSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182895 1344881413 /nfs/dbraw/zinc/88/14/13/1344881413.db2.gz UBYRMJRBOIKMQD-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235232 1344956402 /nfs/dbraw/zinc/95/64/02/1344956402.db2.gz VSORCWCKKWMUOE-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241779 1344968300 /nfs/dbraw/zinc/96/83/00/1344968300.db2.gz IIWPGSWOIOZVCT-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039289652 1344998626 /nfs/dbraw/zinc/99/86/26/1344998626.db2.gz WNEDHWJZVQQOEQ-MSRNWOCLSA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039448185 1345073439 /nfs/dbraw/zinc/07/34/39/1345073439.db2.gz ZSBVEFVASVYZCF-HSALFYBXSA-N 2 0 347.547 3.281 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001040013992 1345288078 /nfs/dbraw/zinc/28/80/78/1345288078.db2.gz BRYNQBSCRXZUMV-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC1CCC1)C2)[NH+](C)C ZINC001040397674 1345475943 /nfs/dbraw/zinc/47/59/43/1345475943.db2.gz CEISZCABNJDZAA-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040912500 1345598936 /nfs/dbraw/zinc/59/89/36/1345598936.db2.gz OXUXWSXQDAAXNS-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001041646601 1345809269 /nfs/dbraw/zinc/80/92/69/1345809269.db2.gz SVGWAYNJELXWPQ-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368581 1346059300 /nfs/dbraw/zinc/05/93/00/1346059300.db2.gz RXQCXIUPGNBCME-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001044008101 1346232967 /nfs/dbraw/zinc/23/29/67/1346232967.db2.gz RLGHZAKVYRUVNC-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CC2CCCCCC2)C1 ZINC001044182876 1346267941 /nfs/dbraw/zinc/26/79/41/1346267941.db2.gz LJGGEOPOUPWVPP-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]CC3CCC3)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001044662200 1346395921 /nfs/dbraw/zinc/39/59/21/1346395921.db2.gz YEEMOYLCGSDHMZ-WMLDXEAASA-N 2 0 340.471 3.026 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044882091 1346453665 /nfs/dbraw/zinc/45/36/65/1346453665.db2.gz XTCOLPBXNFFMRW-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045034625 1346484119 /nfs/dbraw/zinc/48/41/19/1346484119.db2.gz PUGMGZDFOCGIDC-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+]2CCCCC2)cs1 ZINC001045322876 1346560015 /nfs/dbraw/zinc/56/00/15/1346560015.db2.gz PWBCKFXEMUZLEM-SFHVURJKSA-N 2 0 349.544 3.013 20 0 EGADRP CC1(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC[NH+](CC2CCCC2)CC1 ZINC001045438943 1346594125 /nfs/dbraw/zinc/59/41/25/1346594125.db2.gz XSBGCNACZWPVJK-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438689 1346594223 /nfs/dbraw/zinc/59/42/23/1346594223.db2.gz VTVIHMLHYHYWED-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441632 1346594721 /nfs/dbraw/zinc/59/47/21/1346594721.db2.gz IHOYGROFMGBDEY-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045532050 1346619682 /nfs/dbraw/zinc/61/96/82/1346619682.db2.gz XLHZTAVFDGENLY-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)CC1 ZINC001045545071 1346625385 /nfs/dbraw/zinc/62/53/85/1346625385.db2.gz SJCVDSJRQJEJTH-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH+]1CCC(C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001045556912 1346628857 /nfs/dbraw/zinc/62/88/57/1346628857.db2.gz PRYOBERSOZCTDR-UHFFFAOYSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001045615501 1346648534 /nfs/dbraw/zinc/64/85/34/1346648534.db2.gz KVGARHAHGGPJBT-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045619506 1346649808 /nfs/dbraw/zinc/64/98/08/1346649808.db2.gz HTNRITCSIPMUNE-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045620808 1346649993 /nfs/dbraw/zinc/64/99/93/1346649993.db2.gz VFYMGIQAYGWNSM-MSOLQXFVSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001045732155 1346681773 /nfs/dbraw/zinc/68/17/73/1346681773.db2.gz PWIMFIVTEQCZIA-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921178 1346758672 /nfs/dbraw/zinc/75/86/72/1346758672.db2.gz HDUGPRZMTJRUDE-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942968 1346778494 /nfs/dbraw/zinc/77/84/94/1346778494.db2.gz DKZWEOGACCOSAD-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943938 1346779110 /nfs/dbraw/zinc/77/91/10/1346779110.db2.gz RSLKROFNQKVWQM-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943731 1346779254 /nfs/dbraw/zinc/77/92/54/1346779254.db2.gz NKMCVCPUZMXINT-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045944218 1346779699 /nfs/dbraw/zinc/77/96/99/1346779699.db2.gz ZZCTWXOBPHPSOK-PZJWPPBQSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001045949744 1346785007 /nfs/dbraw/zinc/78/50/07/1346785007.db2.gz ONMZFDVRQADTEC-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045960124 1346794739 /nfs/dbraw/zinc/79/47/39/1346794739.db2.gz AQRAMBUWYPUZLW-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961069 1346796156 /nfs/dbraw/zinc/79/61/56/1346796156.db2.gz FLCZTIZTCKLNNK-ZJOUEHCJSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045975511 1346811449 /nfs/dbraw/zinc/81/14/49/1346811449.db2.gz CWOKMVZKFYPADP-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980164 1346817307 /nfs/dbraw/zinc/81/73/07/1346817307.db2.gz SFACSXHYPZFDDX-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001046315634 1346930915 /nfs/dbraw/zinc/93/09/15/1346930915.db2.gz KQEQDYMKMFIYOP-UYAOXDASSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001046315285 1346931043 /nfs/dbraw/zinc/93/10/43/1346931043.db2.gz JNGRPJYSCJRSRO-PZJWPPBQSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001046315633 1346931302 /nfs/dbraw/zinc/93/13/02/1346931302.db2.gz KQEQDYMKMFIYOP-QUCCMNQESA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CCC(C)(C)C)C2)C1 ZINC001046561036 1347017781 /nfs/dbraw/zinc/01/77/81/1347017781.db2.gz AVIXJUVQFAXXOX-FXAWDEMLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587744 1347027872 /nfs/dbraw/zinc/02/78/72/1347027872.db2.gz HALQVXFFHHDQAV-FPOVZHCZSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2)[NH+]1CCCC1 ZINC001047120246 1347212228 /nfs/dbraw/zinc/21/22/28/1347212228.db2.gz CKEFFFPPUODFLI-OTWHNJEPSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(C)(C)C)C3)CC1 ZINC001047159867 1347225030 /nfs/dbraw/zinc/22/50/30/1347225030.db2.gz RQTPJHLMHNZDMN-OTWHNJEPSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(C)(C)C)C3)CC1 ZINC001047165328 1347226755 /nfs/dbraw/zinc/22/67/55/1347226755.db2.gz OOTKOROZQWMYJS-FHWLQOOXSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047244411 1347270104 /nfs/dbraw/zinc/27/01/04/1347270104.db2.gz RJLQHJZTHXZBTH-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001047265648 1347286404 /nfs/dbraw/zinc/28/64/04/1347286404.db2.gz KZUZPHCRXRCDOG-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047266000 1347287115 /nfs/dbraw/zinc/28/71/15/1347287115.db2.gz NNIZECVKBWMACM-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047843677 1347386827 /nfs/dbraw/zinc/38/68/27/1347386827.db2.gz JSOCWTNRVXDHOR-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001047890353 1347400179 /nfs/dbraw/zinc/40/01/79/1347400179.db2.gz ZMEAJZFNCMXQCW-WMZOPIPTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047923915 1347410777 /nfs/dbraw/zinc/41/07/77/1347410777.db2.gz JQWXRBHPSUYFPF-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538250 1347583372 /nfs/dbraw/zinc/58/33/72/1347583372.db2.gz NNVRPWNKLUSCOU-KNJMJIDISA-N 2 0 347.547 3.163 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001048583394 1347605921 /nfs/dbraw/zinc/60/59/21/1347605921.db2.gz JIIYVNADEOKVSW-IYWMVGAKSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048618768 1347620380 /nfs/dbraw/zinc/62/03/80/1347620380.db2.gz BUONXYQIPXWXLU-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001049476190 1347867724 /nfs/dbraw/zinc/86/77/24/1347867724.db2.gz CSAHPJBURPPMBK-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCCC1)C1CCC1 ZINC001049514512 1347887084 /nfs/dbraw/zinc/88/70/84/1347887084.db2.gz GHMQNPCKMALMHD-WOJBJXKFSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563806 1347911636 /nfs/dbraw/zinc/91/16/36/1347911636.db2.gz DTSXFRXOIZWMHO-AQNXPRMDSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789500 1348023395 /nfs/dbraw/zinc/02/33/95/1348023395.db2.gz AJPVNCUBPKWQIW-WOJBJXKFSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819689 1348036794 /nfs/dbraw/zinc/03/67/94/1348036794.db2.gz GVOGTXLFUIVOMZ-VQTJNVASSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079806420 1357388342 /nfs/dbraw/zinc/38/83/42/1357388342.db2.gz GDHXXBYNKGHZEU-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049918893 1348112356 /nfs/dbraw/zinc/11/23/56/1348112356.db2.gz NHXJRPLYDLVICG-GBESFXJTSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC001050265220 1348222590 /nfs/dbraw/zinc/22/25/90/1348222590.db2.gz LJJVUJVOXXEWRZ-FXAWDEMLSA-N 2 0 345.531 3.482 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001050272100 1348224539 /nfs/dbraw/zinc/22/45/39/1348224539.db2.gz CNJQNSCDZVYRMW-OXJNMPFZSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368079 1348240643 /nfs/dbraw/zinc/24/06/43/1348240643.db2.gz RIXHQNCICHQHGP-AFYVEPGGSA-N 2 0 349.563 3.029 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001050375062 1348242775 /nfs/dbraw/zinc/24/27/75/1348242775.db2.gz DWNFCUOUYGXTFA-UAFMIMERSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)CC1 ZINC001050384058 1348245846 /nfs/dbraw/zinc/24/58/46/1348245846.db2.gz QRUHYPSHFSOVRV-KESTWPANSA-N 2 0 349.563 3.172 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001050389940 1348247818 /nfs/dbraw/zinc/24/78/18/1348247818.db2.gz IWARMLKLOHBBHM-PWKSQPCKSA-N 2 0 349.563 3.029 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001050391907 1348248597 /nfs/dbraw/zinc/24/85/97/1348248597.db2.gz IKQREYZCZFQHHO-WKILWMFISA-N 2 0 335.492 3.020 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC001051356343 1348442301 /nfs/dbraw/zinc/44/23/01/1348442301.db2.gz DLKKVFVTSQQUIL-QRQLOZEOSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001052376872 1348535150 /nfs/dbraw/zinc/53/51/50/1348535150.db2.gz KEBDEWKVJDIXJQ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513936 1348563751 /nfs/dbraw/zinc/56/37/51/1348563751.db2.gz KZOJXNCNDFWVIS-MRXNPFEDSA-N 2 0 328.460 3.027 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526313 1348565929 /nfs/dbraw/zinc/56/59/29/1348565929.db2.gz BBLJABFLCDXVAS-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531450 1348567618 /nfs/dbraw/zinc/56/76/18/1348567618.db2.gz JHRZGGSCYMUMCE-SFHVURJKSA-N 2 0 342.487 3.355 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001052590807 1348588618 /nfs/dbraw/zinc/58/86/18/1348588618.db2.gz HAGWFQYHIVPLLC-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052762751 1348667893 /nfs/dbraw/zinc/66/78/93/1348667893.db2.gz BQUDEYVEABQDKM-MOPGFXCFSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052764381 1348669443 /nfs/dbraw/zinc/66/94/43/1348669443.db2.gz NSCHIMJROIMJOR-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001052764714 1348669586 /nfs/dbraw/zinc/66/95/86/1348669586.db2.gz RJXUAROYFGSULW-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052765055 1348670476 /nfs/dbraw/zinc/67/04/76/1348670476.db2.gz VLOQZYLUZJURRM-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788605 1348680179 /nfs/dbraw/zinc/68/01/79/1348680179.db2.gz TYZSICYTOZDQTR-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052859800 1348705722 /nfs/dbraw/zinc/70/57/22/1348705722.db2.gz NJOSFXQYXASLDH-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052955403 1348769588 /nfs/dbraw/zinc/76/95/88/1348769588.db2.gz FLVGDQYCXZNUFB-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956859 1348770720 /nfs/dbraw/zinc/77/07/20/1348770720.db2.gz AHZRAWRACYQOJH-WMZOPIPTSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052957813 1348771194 /nfs/dbraw/zinc/77/11/94/1348771194.db2.gz JHCQOAJMIFOCCH-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054244575 1349238491 /nfs/dbraw/zinc/23/84/91/1349238491.db2.gz HHAMBSMXUJLYMZ-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)cc2C1 ZINC001054268316 1349266414 /nfs/dbraw/zinc/26/64/14/1349266414.db2.gz UITMGYQOBHOWGB-FQEVSTJZSA-N 2 0 341.499 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](C(C)C)C2 ZINC001054272017 1349271844 /nfs/dbraw/zinc/27/18/44/1349271844.db2.gz AZPXHWAZFMHZIW-HXUWFJFHSA-N 2 0 343.515 3.147 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)c3ccn4c[nH+]cc4c3)cc2C1 ZINC001054272746 1349272116 /nfs/dbraw/zinc/27/21/16/1349272116.db2.gz BNSMLSBCMQQEOL-UHFFFAOYSA-N 2 0 348.450 3.380 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037975 1357463711 /nfs/dbraw/zinc/46/37/11/1357463711.db2.gz WWXUKIWGDSRZBL-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554380 1357676603 /nfs/dbraw/zinc/67/66/03/1357676603.db2.gz NOJSOWNROBGBIW-ZHALLVOQSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001183082409 1387259487 /nfs/dbraw/zinc/25/94/87/1387259487.db2.gz TUQGEHAMCJFKOS-QWFCFKBJSA-N 2 0 339.568 3.085 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001082748409 1358086265 /nfs/dbraw/zinc/08/62/65/1358086265.db2.gz KLUOTWHMFLOAFZ-QRQLOZEOSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1CCCCC1 ZINC001071645609 1354823862 /nfs/dbraw/zinc/82/38/62/1354823862.db2.gz LDGGJWAJUNZCPP-PKOBYXMFSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1=CCCCC1 ZINC001071646053 1354824028 /nfs/dbraw/zinc/82/40/28/1354824028.db2.gz RKLQYLOHNGOKQV-MJGOQNOKSA-N 2 0 345.531 3.084 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CC1CCCC1 ZINC001071682964 1354850121 /nfs/dbraw/zinc/85/01/21/1354850121.db2.gz VIHQVBUSBFZFHB-MAUKXSAKSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1CC1CCC1 ZINC001071898198 1355013429 /nfs/dbraw/zinc/01/34/29/1355013429.db2.gz XATBZTBTOBPEAZ-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001072309252 1355231964 /nfs/dbraw/zinc/23/19/64/1355231964.db2.gz GBLFLHZVJFEXPP-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)C)C2 ZINC001073116592 1355605791 /nfs/dbraw/zinc/60/57/91/1355605791.db2.gz VQVVEBWSKKZFTA-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074684651 1356224323 /nfs/dbraw/zinc/22/43/23/1356224323.db2.gz ZLWAMCRGDMHAQE-SXLOBPIMSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074693449 1356224497 /nfs/dbraw/zinc/22/44/97/1356224497.db2.gz ASZSPZVCXONMCS-UHOSZYNNSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)[C@@H]1C)[NH+](C)C ZINC001074709950 1356227783 /nfs/dbraw/zinc/22/77/83/1356227783.db2.gz XKNDRWXKGSJLDF-LCLWPZTBSA-N 2 0 345.531 3.284 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C)c1ccccc1 ZINC001074745780 1356230328 /nfs/dbraw/zinc/23/03/28/1356230328.db2.gz WWQUCZHBOGVFRI-GUXCAODWSA-N 2 0 348.450 3.288 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074812072 1356250979 /nfs/dbraw/zinc/25/09/79/1356250979.db2.gz WDDUZBYUZVRRKX-WDSOQIARSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126843 1363639370 /nfs/dbraw/zinc/63/93/70/1363639370.db2.gz YLXIFUPEWFRFHQ-GBXWSJCFSA-N 2 0 337.552 3.290 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001099126909 1363639536 /nfs/dbraw/zinc/63/95/36/1363639536.db2.gz ZHLMIKOBHOWSLG-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078639140 1357046934 /nfs/dbraw/zinc/04/69/34/1357046934.db2.gz CMBJXROMQOEQIE-JKSUJKDBSA-N 2 0 349.544 3.096 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082544547 1358057157 /nfs/dbraw/zinc/05/71/57/1358057157.db2.gz HYLHDLKWLAFKLQ-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082559335 1358057162 /nfs/dbraw/zinc/05/71/62/1358057162.db2.gz BNBOBKFGFBPRGS-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701028 1358285499 /nfs/dbraw/zinc/28/54/99/1358285499.db2.gz LAICNWBAFZFLFD-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751946 1358300348 /nfs/dbraw/zinc/30/03/48/1358300348.db2.gz KXICJOPSHHMEFP-WOJBJXKFSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084953514 1358353684 /nfs/dbraw/zinc/35/36/84/1358353684.db2.gz RCQCSLRHNLWLEQ-QRVBRYPASA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084963379 1358355767 /nfs/dbraw/zinc/35/57/67/1358355767.db2.gz QDPOHUGXOCKKGX-QYZOEREBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001085198511 1358431441 /nfs/dbraw/zinc/43/14/41/1358431441.db2.gz YJTVULFXFFLSNN-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001085309372 1358462007 /nfs/dbraw/zinc/46/20/07/1358462007.db2.gz MDGKMFSPRQECBU-IJXRJRJASA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085308272 1358462282 /nfs/dbraw/zinc/46/22/82/1358462282.db2.gz KOCUWADQMJAWBE-GUDVDZBRSA-N 2 0 335.536 3.209 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695926 1358691811 /nfs/dbraw/zinc/69/18/11/1358691811.db2.gz VIUSXGISKLVMQJ-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCCC1CCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724222 1358712937 /nfs/dbraw/zinc/71/29/37/1358712937.db2.gz QLEMTWULBSTPAF-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085778940 1358753482 /nfs/dbraw/zinc/75/34/82/1358753482.db2.gz KMINZHQYFMRBJR-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782571 1358758238 /nfs/dbraw/zinc/75/82/38/1358758238.db2.gz XUZJZRIHWVAADI-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856168 1358824216 /nfs/dbraw/zinc/82/42/16/1358824216.db2.gz SRTDQHOFSCWSLW-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCC1 ZINC001085918647 1358878516 /nfs/dbraw/zinc/87/85/16/1358878516.db2.gz JKJAHVSKUBXHCD-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085987734 1358939146 /nfs/dbraw/zinc/93/91/46/1358939146.db2.gz KKWRRXXUIRKZGD-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)[C@@H]1CN(C)CCN1C ZINC001183920046 1387370730 /nfs/dbraw/zinc/37/07/30/1387370730.db2.gz UDTGTZWQNXSDMP-KCLUMXDGSA-N 2 0 329.532 3.327 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001086221685 1359031436 /nfs/dbraw/zinc/03/14/36/1359031436.db2.gz FMVYAJQJJNDVOM-ZGXWSNOMSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1C[N@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001183991571 1387379170 /nfs/dbraw/zinc/37/91/70/1387379170.db2.gz LMFSKEWAADVTFZ-LMNJBCLMSA-N 2 0 330.516 3.237 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086694147 1359187384 /nfs/dbraw/zinc/18/73/84/1359187384.db2.gz FBYSWAGYYPOJHH-ZCNNSNEGSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC001086829479 1359209627 /nfs/dbraw/zinc/20/96/27/1359209627.db2.gz BESIDSNNVSUHJE-AZUAARDMSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921154 1359248206 /nfs/dbraw/zinc/24/82/06/1359248206.db2.gz IYQBXNIVULZDJJ-MOPGFXCFSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926708 1359251361 /nfs/dbraw/zinc/25/13/61/1359251361.db2.gz HTCOVHKAMRDFLY-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001086931055 1359254927 /nfs/dbraw/zinc/25/49/27/1359254927.db2.gz YDJUOYYIKBNFAZ-INIZCTEOSA-N 2 0 340.471 3.061 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958028 1359278595 /nfs/dbraw/zinc/27/85/95/1359278595.db2.gz BSHJAWAXMDJXBB-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCCC1CCC1 ZINC001087699854 1359598791 /nfs/dbraw/zinc/59/87/91/1359598791.db2.gz OVQFABRBXZPTTC-FRYIKTPZSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1CC ZINC001087792059 1359648141 /nfs/dbraw/zinc/64/81/41/1359648141.db2.gz LAZAOFUSPGVCEA-ZCNNSNEGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCC1CCCCC1 ZINC001087796683 1359650527 /nfs/dbraw/zinc/65/05/27/1359650527.db2.gz JUIPZYYBNUBBLL-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001088373732 1359854814 /nfs/dbraw/zinc/85/48/14/1359854814.db2.gz NDUSCVJRSLBXBA-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088394543 1359870809 /nfs/dbraw/zinc/87/08/09/1359870809.db2.gz JBSFNWUQFKIMMC-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413056 1359884064 /nfs/dbraw/zinc/88/40/64/1359884064.db2.gz XAQWOXWEQPYAMP-FPOVZHCZSA-N 2 0 345.531 3.233 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088413280 1359884107 /nfs/dbraw/zinc/88/41/07/1359884107.db2.gz BXVYYQASBIJZHQ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001088424941 1359893748 /nfs/dbraw/zinc/89/37/48/1359893748.db2.gz JPLKVKXNXURCSN-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001088426109 1359894531 /nfs/dbraw/zinc/89/45/31/1359894531.db2.gz LXNBCODJSIDQTJ-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088431266 1359898739 /nfs/dbraw/zinc/89/87/39/1359898739.db2.gz NZNHJCYPBFGPTK-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001089188719 1360238475 /nfs/dbraw/zinc/23/84/75/1360238475.db2.gz BGXGGSBGRBTTCF-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089473307 1360456414 /nfs/dbraw/zinc/45/64/14/1360456414.db2.gz VIPDHLRMAPZZBM-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089538582 1360496734 /nfs/dbraw/zinc/49/67/34/1360496734.db2.gz XDFAENSNLYHGII-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558196 1360506441 /nfs/dbraw/zinc/50/64/41/1360506441.db2.gz FPEGRMOVUNIUHE-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001089674840 1360583528 /nfs/dbraw/zinc/58/35/28/1360583528.db2.gz FBPYKLADKNCYEM-GOSISDBHSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089710081 1360614208 /nfs/dbraw/zinc/61/42/08/1360614208.db2.gz ANQTVXPQNJZTFD-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091377781 1361068678 /nfs/dbraw/zinc/06/86/78/1361068678.db2.gz AEHYXCADCNLQLF-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184578076 1387497521 /nfs/dbraw/zinc/49/75/21/1387497521.db2.gz QPNMLEDBQSRQQV-FNYRVFDFSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071087 1361288547 /nfs/dbraw/zinc/28/85/47/1361288547.db2.gz FYIWPBUGGLWAAS-DYXWJJEUSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302111 1361359415 /nfs/dbraw/zinc/35/94/15/1361359415.db2.gz UBCGSLCZCLDQPS-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676927 1361439692 /nfs/dbraw/zinc/43/96/92/1361439692.db2.gz PZBIXXFQVHTBRD-GGPKGHCWSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184734175 1387523255 /nfs/dbraw/zinc/52/32/55/1387523255.db2.gz HPYQYUWOJIDSOS-AEFFLSMTSA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001094088628 1361736628 /nfs/dbraw/zinc/73/66/28/1361736628.db2.gz DUGQHBPOFFCNKE-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094430376 1361799290 /nfs/dbraw/zinc/79/92/90/1361799290.db2.gz NIDGFJUQZUSQEA-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184823085 1387545192 /nfs/dbraw/zinc/54/51/92/1387545192.db2.gz XIVHLLYCOVDMHA-IRXDYDNUSA-N 2 0 342.487 3.212 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1C ZINC001184852127 1387549472 /nfs/dbraw/zinc/54/94/72/1387549472.db2.gz SYZPGTSKKRPDNB-CRAIPNDOSA-N 2 0 331.504 3.495 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417410 1362133633 /nfs/dbraw/zinc/13/36/33/1362133633.db2.gz QHRVGVXFKQHNFJ-RNQOJCNYSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCC2)C1 ZINC001095904015 1362280488 /nfs/dbraw/zinc/28/04/88/1362280488.db2.gz WLFMARLBRHRXSJ-ZRNYENFQSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001097065790 1362830921 /nfs/dbraw/zinc/83/09/21/1362830921.db2.gz FCYMWVBXPZKJSG-ZRNYENFQSA-N 2 0 345.531 3.081 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H](C[C@@H]([NH2+]CC2CC2)C2CCCC2)C1 ZINC001098821327 1363482181 /nfs/dbraw/zinc/48/21/81/1363482181.db2.gz ODJSTUXPANQBCV-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098827555 1363484937 /nfs/dbraw/zinc/48/49/37/1363484937.db2.gz XFIINZOXADFKQU-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CC1)C2 ZINC001098875458 1363501320 /nfs/dbraw/zinc/50/13/20/1363501320.db2.gz PIPDBZCVHWYXQW-ZVDOUQERSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCC(C)(C)C)C3)CC[N@@H+]1C ZINC001098996397 1363562284 /nfs/dbraw/zinc/56/22/84/1363562284.db2.gz FSGLNSQBYVYARW-NTLWEQJWSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079189 1363610929 /nfs/dbraw/zinc/61/09/29/1363610929.db2.gz AWAKMPRUZYYCDY-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001099106602 1363625245 /nfs/dbraw/zinc/62/52/45/1363625245.db2.gz JWSGMKHZNWVBCY-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116743 1363632899 /nfs/dbraw/zinc/63/28/99/1363632899.db2.gz VFMRNLLMFVDRSM-MSOLQXFVSA-N 2 0 339.568 3.226 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099200022 1363688718 /nfs/dbraw/zinc/68/87/18/1363688718.db2.gz VFWNFGWSYAVFAY-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099204291 1363691627 /nfs/dbraw/zinc/69/16/27/1363691627.db2.gz YBTNITFYQXRLTQ-LIXSYLKWSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099230048 1363703095 /nfs/dbraw/zinc/70/30/95/1363703095.db2.gz PWUNYZXZHFJBCE-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C)[NH+](C)C ZINC001099239620 1363708453 /nfs/dbraw/zinc/70/84/53/1363708453.db2.gz HUFCXPYDBWAZHN-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240914 1363709567 /nfs/dbraw/zinc/70/95/67/1363709567.db2.gz VQJMJLBUOUWLDO-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cncn1C ZINC001099324516 1363751185 /nfs/dbraw/zinc/75/11/85/1363751185.db2.gz NKXCXBHJKRRSJW-SJLPKXTDSA-N 2 0 348.535 3.006 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099355298 1363769357 /nfs/dbraw/zinc/76/93/57/1363769357.db2.gz ZKVXRVPHGREMQI-KRWDZBQOSA-N 2 0 325.541 3.124 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405688 1364104267 /nfs/dbraw/zinc/10/42/67/1364104267.db2.gz IZNDBTVXVFIPOA-QLOJAFMTSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001100456866 1364120474 /nfs/dbraw/zinc/12/04/74/1364120474.db2.gz GFGCXQCJBOGWCW-FHERZECASA-N 2 0 349.494 3.101 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2c(C)cccc2C)C1 ZINC001100459199 1364121616 /nfs/dbraw/zinc/12/16/16/1364121616.db2.gz UVMBFRHSLFKFCQ-UHFFFAOYSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100471259 1364126983 /nfs/dbraw/zinc/12/69/83/1364126983.db2.gz WJDKREADXIFXJL-DAWZGUTISA-N 2 0 337.552 3.027 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185261846 1387661773 /nfs/dbraw/zinc/66/17/73/1387661773.db2.gz YJXRMTROXVZSMY-HOHWPDKRSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1)[NH+](CC)CC ZINC001100669401 1364211134 /nfs/dbraw/zinc/21/11/34/1364211134.db2.gz WXOPEDPGTAWJNL-MHJFOBGBSA-N 2 0 349.563 3.482 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001100669313 1364211162 /nfs/dbraw/zinc/21/11/62/1364211162.db2.gz SXPZWBBJLJHFOE-SOAGJPPSSA-N 2 0 345.531 3.100 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001100668611 1364211238 /nfs/dbraw/zinc/21/12/38/1364211238.db2.gz CSTXSZRHQKAZGD-SOAGJPPSSA-N 2 0 345.531 3.100 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001100669328 1364211327 /nfs/dbraw/zinc/21/13/27/1364211327.db2.gz UGMBWJBFNNKFME-VMWRSERWSA-N 2 0 337.552 3.027 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)C1 ZINC001100681168 1364215992 /nfs/dbraw/zinc/21/59/92/1364215992.db2.gz ZFJINIJIBHPJKX-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001100683813 1364217593 /nfs/dbraw/zinc/21/75/93/1364217593.db2.gz SZZLVYLMXZBQEM-ABHNRTSZSA-N 2 0 337.552 3.027 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100997045 1364362801 /nfs/dbraw/zinc/36/28/01/1364362801.db2.gz RLHSSTSTFOMTFA-ONEGZZNKSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101437030 1364562851 /nfs/dbraw/zinc/56/28/51/1364562851.db2.gz ZEXOPTQJINXLFD-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001101551274 1364613946 /nfs/dbraw/zinc/61/39/46/1364613946.db2.gz BNQOZELKWZBVCA-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001101582296 1364634964 /nfs/dbraw/zinc/63/49/64/1364634964.db2.gz JGYAABZLKFLUKO-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119613 1364869783 /nfs/dbraw/zinc/86/97/83/1364869783.db2.gz WAAFKGHLCODTJJ-CQQBRXBZSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285541 1364985049 /nfs/dbraw/zinc/98/50/49/1364985049.db2.gz WLBIWQFTAPUICE-SJLPKXTDSA-N 2 0 349.519 3.219 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001102356411 1365020190 /nfs/dbraw/zinc/02/01/90/1365020190.db2.gz JDKCLTODUUNENU-MISYRCLQSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324647136 1387717066 /nfs/dbraw/zinc/71/70/66/1387717066.db2.gz LUPOWIZCILXNEC-UTKZUKDTSA-N 2 0 345.531 3.306 20 0 EGADRP CCCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](CCC)CCC)[C@H](C)C1 ZINC001102507807 1365091604 /nfs/dbraw/zinc/09/16/04/1365091604.db2.gz PPROBBUESPTHRJ-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185446463 1387719100 /nfs/dbraw/zinc/71/91/00/1387719100.db2.gz MKXGVFZPCDKIRB-JCMVTEASSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001103086481 1365373431 /nfs/dbraw/zinc/37/34/31/1365373431.db2.gz FIEAPHYMKURBOE-VAMGGRTRSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103149597 1365410773 /nfs/dbraw/zinc/41/07/73/1365410773.db2.gz DDGQFKOPKBNUDT-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103376407 1365523962 /nfs/dbraw/zinc/52/39/62/1365523962.db2.gz ZFYJLSBULWEHMF-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103755406 1365765890 /nfs/dbraw/zinc/76/58/90/1365765890.db2.gz GCKHHRLDEFCCSH-WSTZPKSXSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196090 1365948030 /nfs/dbraw/zinc/94/80/30/1365948030.db2.gz ILBRBFDUIBKLGJ-QRVBRYPASA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104287825 1365976457 /nfs/dbraw/zinc/97/64/57/1365976457.db2.gz LVQKRKHJSDWRKB-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291878 1365977705 /nfs/dbraw/zinc/97/77/05/1365977705.db2.gz YHZMOVCCOXXZCK-AQNXPRMDSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104421080 1366017559 /nfs/dbraw/zinc/01/75/59/1366017559.db2.gz ASWLNQLUJYDQKR-BRWVUGGUSA-N 2 0 342.487 3.068 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104450570 1366033394 /nfs/dbraw/zinc/03/33/94/1366033394.db2.gz DMYUQBOWSFTICC-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001324834672 1387785683 /nfs/dbraw/zinc/78/56/83/1387785683.db2.gz SOVUUZVPHSYDGJ-QUCCMNQESA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104753630 1366157244 /nfs/dbraw/zinc/15/72/44/1366157244.db2.gz LFNULEVNXQGKIM-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001185764343 1387793346 /nfs/dbraw/zinc/79/33/46/1387793346.db2.gz YHEHGKJHVIRBCV-VANUVFSVSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001185778348 1387797232 /nfs/dbraw/zinc/79/72/32/1387797232.db2.gz IDFKFXOXPBRDPU-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105517975 1366505476 /nfs/dbraw/zinc/50/54/76/1366505476.db2.gz NTYCPRDSVWVPCA-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518512 1366505920 /nfs/dbraw/zinc/50/59/20/1366505920.db2.gz ZZTPOOCQUHXGQO-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544868 1366521752 /nfs/dbraw/zinc/52/17/52/1366521752.db2.gz WUKYBCNARKBOEI-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105571931 1366538505 /nfs/dbraw/zinc/53/85/05/1366538505.db2.gz CDUKTYROQDHNJY-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105575438 1366540568 /nfs/dbraw/zinc/54/05/68/1366540568.db2.gz ZEAVJNMXNFYFBF-OALUTQOASA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577307 1366541453 /nfs/dbraw/zinc/54/14/53/1366541453.db2.gz UFHVLPZLUHRABI-MOPGFXCFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105579507 1366542807 /nfs/dbraw/zinc/54/28/07/1366542807.db2.gz PRVOBUREIGHXHE-LJQANCHMSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001105941948 1366600529 /nfs/dbraw/zinc/60/05/29/1366600529.db2.gz RTWINCPJTXPCFB-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106210689 1366624486 /nfs/dbraw/zinc/62/44/86/1366624486.db2.gz AEMXOHFMBBSEAP-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001106998642 1366855000 /nfs/dbraw/zinc/85/50/00/1366855000.db2.gz NVJNAXAEYVDHQC-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001107035846 1366862128 /nfs/dbraw/zinc/86/21/28/1366862128.db2.gz AZYNNXSNWVOWTH-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442635 1366965179 /nfs/dbraw/zinc/96/51/79/1366965179.db2.gz HHYSGKUYJHZITA-NLWGTHIKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109306144 1367047289 /nfs/dbraw/zinc/04/72/89/1367047289.db2.gz VELGCFPSJDOKCU-YVSOQSDKSA-N 2 0 347.547 3.185 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609573 1367069855 /nfs/dbraw/zinc/06/98/55/1367069855.db2.gz XQTATYIPBDCOCN-LGVOAYDWSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609409 1367070326 /nfs/dbraw/zinc/07/03/26/1367070326.db2.gz QTJVYGMBSZNKFE-QKNQBKEWSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001107617532 1367076019 /nfs/dbraw/zinc/07/60/19/1367076019.db2.gz LLPUWFYNNWQCOC-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001324958415 1387851628 /nfs/dbraw/zinc/85/16/28/1387851628.db2.gz SSMRDDBVWIKPJD-FQEVSTJZSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001107646288 1367090053 /nfs/dbraw/zinc/09/00/53/1367090053.db2.gz GHMPKKJLVFCZOL-TZIWHRDSSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396405 1367103218 /nfs/dbraw/zinc/10/32/18/1367103218.db2.gz DIVXOTLZOHXPRJ-MIIYPZDFSA-N 2 0 347.547 3.042 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109419252 1367113385 /nfs/dbraw/zinc/11/33/85/1367113385.db2.gz LDCOSHSVHGWWAG-YRXWBPOGSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001190246450 1367207896 /nfs/dbraw/zinc/20/78/96/1367207896.db2.gz CGCFVXBGWBZZLE-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001190246452 1367208805 /nfs/dbraw/zinc/20/88/05/1367208805.db2.gz CGCFVXBGWBZZLE-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714574 1367289471 /nfs/dbraw/zinc/28/94/71/1367289471.db2.gz PEBMBCSELYLKGK-PKEXKMAMSA-N 2 0 335.536 3.185 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001109714634 1367290168 /nfs/dbraw/zinc/29/01/68/1367290168.db2.gz QVOXUVVJRQRNAF-XDNAFOTISA-N 2 0 337.552 3.265 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743217 1367340695 /nfs/dbraw/zinc/34/06/95/1367340695.db2.gz IPAGLQUKLACJBK-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001190777871 1367348085 /nfs/dbraw/zinc/34/80/85/1367348085.db2.gz XGAGMFRTCHFBEY-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cccc(C)c1 ZINC001109868301 1367370410 /nfs/dbraw/zinc/37/04/10/1367370410.db2.gz KCKULJPMJCZMGB-RNQOJCNYSA-N 2 0 343.515 3.119 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190996216 1367397490 /nfs/dbraw/zinc/39/74/90/1367397490.db2.gz ATPNVOFIXBKAHP-MAUKXSAKSA-N 2 0 349.494 3.150 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550762 1367525754 /nfs/dbraw/zinc/52/57/54/1367525754.db2.gz GZCYABBPECEETJ-LJQANCHMSA-N 2 0 337.552 3.364 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001110161903 1367534838 /nfs/dbraw/zinc/53/48/38/1367534838.db2.gz XXMCUMNRTJBGET-FUMNGEBKSA-N 2 0 347.547 3.019 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684667 1367560016 /nfs/dbraw/zinc/56/00/16/1367560016.db2.gz TVFWZTYLNXPNPO-QGZVFWFLSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765823 1367581533 /nfs/dbraw/zinc/58/15/33/1367581533.db2.gz SYFWTTDMVHRZBX-OISZBXDOSA-N 2 0 347.547 3.044 20 0 EGADRP CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191948149 1367646251 /nfs/dbraw/zinc/64/62/51/1367646251.db2.gz MDCGCTSZEBMSSE-OALUTQOASA-N 2 0 335.536 3.116 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001191967477 1367651855 /nfs/dbraw/zinc/65/18/55/1367651855.db2.gz INBQDEDNFIFINO-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001192326870 1367753606 /nfs/dbraw/zinc/75/36/06/1367753606.db2.gz UBGYHVSQIKIDTB-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001192461527 1367788834 /nfs/dbraw/zinc/78/88/34/1367788834.db2.gz BTOFTFJRBMGNRT-UHFFFAOYSA-N 2 0 347.547 3.231 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)CCC1 ZINC001110664801 1367905762 /nfs/dbraw/zinc/90/57/62/1367905762.db2.gz YNFYMBWMZVZTPO-QRVBRYPASA-N 2 0 347.547 3.163 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204299 1367965556 /nfs/dbraw/zinc/96/55/56/1367965556.db2.gz FCDJPEJKIIUICK-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561493 1368062659 /nfs/dbraw/zinc/06/26/59/1368062659.db2.gz ZODXHFHCYHIHSL-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001194266252 1368219427 /nfs/dbraw/zinc/21/94/27/1368219427.db2.gz MWZCEZCFGRTBSB-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293570 1368225721 /nfs/dbraw/zinc/22/57/21/1368225721.db2.gz IBXMGYBGUYWFCJ-OALUTQOASA-N 2 0 349.494 3.150 20 0 EGADRP CC1CCC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)CC1 ZINC001111298712 1368258572 /nfs/dbraw/zinc/25/85/72/1368258572.db2.gz MZRCKEUMCUQJPI-WKXIVMOISA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001186421082 1387938864 /nfs/dbraw/zinc/93/88/64/1387938864.db2.gz XWJREHPBGSLBQT-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2)C1CCC1 ZINC001111778928 1368457573 /nfs/dbraw/zinc/45/75/73/1368457573.db2.gz OZLUWHUPGZTZKP-RXVVDRJESA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)C(C)C ZINC001186427635 1387941103 /nfs/dbraw/zinc/94/11/03/1387941103.db2.gz HYTCBSPYLXBVDX-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428380 1387941205 /nfs/dbraw/zinc/94/12/05/1387941205.db2.gz QZKANSBOYZDKNI-MMKWGKFASA-N 2 0 337.552 3.290 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785834 1368490067 /nfs/dbraw/zinc/49/00/67/1368490067.db2.gz XNEOLQVVKLHDJV-GHOSXJJBSA-N 2 0 335.536 3.140 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)(C)C)C3)CC1 ZINC001111860176 1368510298 /nfs/dbraw/zinc/51/02/98/1368510298.db2.gz UCMMTLKJOHFTIH-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870593 1368517809 /nfs/dbraw/zinc/51/78/09/1368517809.db2.gz FKWNEXMHIHNJSH-WHGMVNQHSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155659 1368559067 /nfs/dbraw/zinc/55/90/67/1368559067.db2.gz QFLLPOASEUTJBY-HCZHMGAMSA-N 2 0 349.563 3.245 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163685 1368559638 /nfs/dbraw/zinc/55/96/38/1368559638.db2.gz SADRDOLTTMWQFI-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111952392 1368572300 /nfs/dbraw/zinc/57/23/00/1368572300.db2.gz GELRJMROCJTTMD-LGYYHMKYSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196382643 1368603541 /nfs/dbraw/zinc/60/35/41/1368603541.db2.gz RBSDMCHGZJIVNB-PLNGDYQASA-N 2 0 340.471 3.147 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@H]1C[N@H+](CC1CCCC1)C2 ZINC001112004364 1368607630 /nfs/dbraw/zinc/60/76/30/1368607630.db2.gz YHYQMWUPCXHEFY-FPOVZHCZSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1=CCCCC1)C2 ZINC001112009743 1368613401 /nfs/dbraw/zinc/61/34/01/1368613401.db2.gz RSURQARXMGRKCB-FPOVZHCZSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001112009643 1368613514 /nfs/dbraw/zinc/61/35/14/1368613514.db2.gz MRTQRIPKWAXOJG-FPOVZHCZSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196656573 1368657353 /nfs/dbraw/zinc/65/73/53/1368657353.db2.gz RLZJFKGGSLPRDN-AATRIKPKSA-N 2 0 335.536 3.142 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197331313 1368789543 /nfs/dbraw/zinc/78/95/43/1368789543.db2.gz JOWFQGVLBMLRQT-SFFCAUCYSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197331548 1368790131 /nfs/dbraw/zinc/79/01/31/1368790131.db2.gz MOKRCALZDXYEFG-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001197768451 1368893158 /nfs/dbraw/zinc/89/31/58/1368893158.db2.gz NRXWDUKHSJWQQQ-IBGZPJMESA-N 2 0 337.552 3.366 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](CC=C(C)C)CC1 ZINC001197794485 1368897908 /nfs/dbraw/zinc/89/79/08/1368897908.db2.gz JSWIVQNDQAMRMX-UHFFFAOYSA-N 2 0 337.552 3.389 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1)[NH+](CC)CC ZINC001112528791 1368915487 /nfs/dbraw/zinc/91/54/87/1368915487.db2.gz QUPOSRSXLVLHAT-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557348 1368926759 /nfs/dbraw/zinc/92/67/59/1368926759.db2.gz BLLZWWITLIFGPM-QGELVWPYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001112586168 1368938536 /nfs/dbraw/zinc/93/85/36/1368938536.db2.gz KRVDDBGKKQROFS-FPOVZHCZSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364389 1369016531 /nfs/dbraw/zinc/01/65/31/1369016531.db2.gz TUIOBOSKNNGBQF-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001112965158 1369112474 /nfs/dbraw/zinc/11/24/74/1369112474.db2.gz FMPYSZVELIVOAM-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCCC[C@H]1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001200046163 1369307057 /nfs/dbraw/zinc/30/70/57/1369307057.db2.gz KFWQNYQHANRPSD-HLAWJBBLSA-N 2 0 329.532 3.391 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CCC2CCCC2)CC1)C(C)C ZINC001113441511 1369430891 /nfs/dbraw/zinc/43/08/91/1369430891.db2.gz DCEWWDPLUPXSLF-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001113536491 1369483425 /nfs/dbraw/zinc/48/34/25/1369483425.db2.gz SGTZRDRHSKHIBD-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001201182633 1369491597 /nfs/dbraw/zinc/49/15/97/1369491597.db2.gz LQTBBYYMVQPRLA-IBGZPJMESA-N 2 0 348.535 3.487 20 0 EGADRP O=C(N1CCC([NH2+]CCCC2CCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001201239789 1369502191 /nfs/dbraw/zinc/50/21/91/1369502191.db2.gz MYIHZHGKPDOQDR-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1)c1ccccc1 ZINC001201314196 1369516080 /nfs/dbraw/zinc/51/60/80/1369516080.db2.gz PIWAWRMJZMGURA-LJQANCHMSA-N 2 0 345.531 3.449 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001201328077 1369521184 /nfs/dbraw/zinc/52/11/84/1369521184.db2.gz VWAKYFOWVMXSBA-UHFFFAOYSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201399949 1369537253 /nfs/dbraw/zinc/53/72/53/1369537253.db2.gz LPBFWEVVUFPLGO-UEKDZROGSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1ccccc1-n1nccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201657903 1369598071 /nfs/dbraw/zinc/59/80/71/1369598071.db2.gz PPCRFNHUDHFEKA-UHFFFAOYSA-N 2 0 348.454 3.071 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(Br)cc3)cc[nH+]2)CC1 ZINC001201658569 1369598426 /nfs/dbraw/zinc/59/84/26/1369598426.db2.gz FBJBPGQSYOKHSA-UHFFFAOYSA-N 2 0 347.260 3.340 20 0 EGADRP CCCOc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201659453 1369598758 /nfs/dbraw/zinc/59/87/58/1369598758.db2.gz YVOFTEFCXFTXCK-UHFFFAOYSA-N 2 0 326.444 3.366 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156976 1369703499 /nfs/dbraw/zinc/70/34/99/1369703499.db2.gz RHWWWCNOXHSNQL-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001202197113 1369713295 /nfs/dbraw/zinc/71/32/95/1369713295.db2.gz MTKCHARJOWWCPD-INIZCTEOSA-N 2 0 349.519 3.218 20 0 EGADRP COC(=O)CCCN1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001202228192 1369718288 /nfs/dbraw/zinc/71/82/88/1369718288.db2.gz NEBUBIZYHARSDQ-BJLQDIEVSA-N 2 0 330.472 3.050 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001202238396 1369721048 /nfs/dbraw/zinc/72/10/48/1369721048.db2.gz DXCNIAWGVPMLDN-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1)[NH+](C)C ZINC001202360055 1369748740 /nfs/dbraw/zinc/74/87/40/1369748740.db2.gz XYCMZNFMRZULEQ-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202764498 1369883376 /nfs/dbraw/zinc/88/33/76/1369883376.db2.gz NZKVVZCIHBKCFE-SFFCAUCYSA-N 2 0 335.536 3.186 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001186981044 1388034995 /nfs/dbraw/zinc/03/49/95/1388034995.db2.gz KGLYMYJGFNGWIN-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202872804 1369914070 /nfs/dbraw/zinc/91/40/70/1369914070.db2.gz QFHOCGCKMOQVOC-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP c1nc(-c2ccccc2)sc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001325742713 1388038970 /nfs/dbraw/zinc/03/89/70/1388038970.db2.gz GTZYNSUWSNHQMO-OKZBNKHCSA-N 2 0 343.496 3.057 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027125 1369959154 /nfs/dbraw/zinc/95/91/54/1369959154.db2.gz CPNBPXOQMJAFBY-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203102229 1369983317 /nfs/dbraw/zinc/98/33/17/1369983317.db2.gz HAJLWTXWEMGGPH-PIIXRYACSA-N 2 0 335.536 3.090 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203100936 1369983545 /nfs/dbraw/zinc/98/35/45/1369983545.db2.gz BVUODTUCTPNMRC-ZWKOTPCHSA-N 2 0 347.547 3.066 20 0 EGADRP Cc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cn1 ZINC001203109357 1369986222 /nfs/dbraw/zinc/98/62/22/1369986222.db2.gz PEPKWGQPTAWQHC-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP C[N@H+](Cc1cccc2nonc21)C1CCN(Cc2ccccc2)CC1 ZINC001203129047 1369991411 /nfs/dbraw/zinc/99/14/11/1369991411.db2.gz ZMRBHSFUUMFILO-UHFFFAOYSA-N 2 0 336.439 3.319 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001203130755 1369992363 /nfs/dbraw/zinc/99/23/63/1369992363.db2.gz GATLLZJPZFGHNU-QZTJIDSGSA-N 2 0 340.471 3.155 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21)C1CCCCC1 ZINC001114623922 1369998857 /nfs/dbraw/zinc/99/88/57/1369998857.db2.gz IDPVPKJBMKDTQK-RUYXUALKSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)CC1 ZINC001203157762 1370003623 /nfs/dbraw/zinc/00/36/23/1370003623.db2.gz DZUVRZRDFAOIIM-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034992 1388043433 /nfs/dbraw/zinc/04/34/33/1388043433.db2.gz RQSIWRYMFFDXOP-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203355419 1370096801 /nfs/dbraw/zinc/09/68/01/1370096801.db2.gz TZRMQHKQVJURQB-UHFFFAOYSA-N 2 0 346.519 3.168 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001203408427 1370114897 /nfs/dbraw/zinc/11/48/97/1370114897.db2.gz YAAAYRUWMQTFDC-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417718 1370118067 /nfs/dbraw/zinc/11/80/67/1370118067.db2.gz BMOUQZYJKKPGEN-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001203442761 1370128701 /nfs/dbraw/zinc/12/87/01/1370128701.db2.gz NPHZJDGKUNLXFC-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C23CCC3)CC1 ZINC001203462204 1370134844 /nfs/dbraw/zinc/13/48/44/1370134844.db2.gz LWNBFSGAWDTECX-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203521113 1370153365 /nfs/dbraw/zinc/15/33/65/1370153365.db2.gz ITAAGKJZZGMJBB-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203554887 1370167550 /nfs/dbraw/zinc/16/75/50/1370167550.db2.gz GNXBBQHFFQUZSR-OALUTQOASA-N 2 0 349.563 3.170 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203640518 1370196805 /nfs/dbraw/zinc/19/68/05/1370196805.db2.gz CURIFRAZVSLGRD-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203641437 1370198245 /nfs/dbraw/zinc/19/82/45/1370198245.db2.gz QZFDXFBSZSNRGR-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203642788 1370198588 /nfs/dbraw/zinc/19/85/88/1370198588.db2.gz YUBHWXSUAYJMHZ-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001203877138 1370297417 /nfs/dbraw/zinc/29/74/17/1370297417.db2.gz QYXRMQYXSNOWOP-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)c1 ZINC001203887499 1370299780 /nfs/dbraw/zinc/29/97/80/1370299780.db2.gz CTAZIMPBDBPMFT-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC001203889089 1370299885 /nfs/dbraw/zinc/29/98/85/1370299885.db2.gz VMUOVRIKLUYRGV-GOSISDBHSA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001203902012 1370306926 /nfs/dbraw/zinc/30/69/26/1370306926.db2.gz BCRHONSMOAASAM-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001203903795 1370307587 /nfs/dbraw/zinc/30/75/87/1370307587.db2.gz NQRAEQLBCGKAAQ-OVKVCFKUSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203904371 1370308379 /nfs/dbraw/zinc/30/83/79/1370308379.db2.gz UDPPPLLJBSPPGN-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001203925509 1370317250 /nfs/dbraw/zinc/31/72/50/1370317250.db2.gz QLDIGWUZEBGKLC-YRNVUSSQSA-N 2 0 343.515 3.011 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001204267380 1370427033 /nfs/dbraw/zinc/42/70/33/1370427033.db2.gz RMHQHZLNLMJWSX-ICSRJNTNSA-N 2 0 332.488 3.018 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(F)c1C)C2 ZINC001204508865 1370498203 /nfs/dbraw/zinc/49/82/03/1370498203.db2.gz KTOPXWMQFXYEBO-CTNGQTDRSA-N 2 0 346.490 3.314 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115535350 1370532092 /nfs/dbraw/zinc/53/20/92/1370532092.db2.gz SJFQLJQDODCXDL-IRXDYDNUSA-N 2 0 341.515 3.016 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535246 1370532213 /nfs/dbraw/zinc/53/22/13/1370532213.db2.gz OVQPWFTVWUTTFB-GOSISDBHSA-N 2 0 337.552 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115535096 1370532364 /nfs/dbraw/zinc/53/23/64/1370532364.db2.gz JQUJRYMNMUGVTK-CTWPCTMYSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001115537015 1370534281 /nfs/dbraw/zinc/53/42/81/1370534281.db2.gz RVVHCPRBZHKWRK-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537135 1370534347 /nfs/dbraw/zinc/53/43/47/1370534347.db2.gz XWMPEQSNQGMHCD-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540466 1370537221 /nfs/dbraw/zinc/53/72/21/1370537221.db2.gz LZFWOMGSHQSJKE-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP Brc1ccsc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735412 1370559279 /nfs/dbraw/zinc/55/92/79/1370559279.db2.gz UAELDFVPJRNHMP-UHFFFAOYSA-N 2 0 329.307 3.476 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571795 1370574053 /nfs/dbraw/zinc/57/40/53/1370574053.db2.gz PDZZAIBVZRUNFO-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)CCC1 ZINC001115572042 1370574715 /nfs/dbraw/zinc/57/47/15/1370574715.db2.gz ZOXDFASJXTYGGH-UHFFFAOYSA-N 2 0 347.547 3.380 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579335 1370582608 /nfs/dbraw/zinc/58/26/08/1370582608.db2.gz IPQQCZHRNKSEBL-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP COc1ccc(CC[N@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1OC ZINC001204870428 1370594035 /nfs/dbraw/zinc/59/40/35/1370594035.db2.gz SUGDPOQRXFTEHY-UHFFFAOYSA-N 2 0 340.467 3.024 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630201 1370623065 /nfs/dbraw/zinc/62/30/65/1370623065.db2.gz DYMNRCFSDAURFA-INIZCTEOSA-N 2 0 346.450 3.105 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cnc3cc(Br)ccc3c2)CC1 ZINC001205058369 1370639868 /nfs/dbraw/zinc/63/98/68/1370639868.db2.gz KFIISIDADNNPGA-UHFFFAOYSA-N 2 0 334.261 3.168 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)CC1 ZINC001115696276 1370677457 /nfs/dbraw/zinc/67/74/57/1370677457.db2.gz NSVXXZZTNZZPQO-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696098 1370677592 /nfs/dbraw/zinc/67/75/92/1370677592.db2.gz FZDYXXJKAZTKAC-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC001205221174 1370686532 /nfs/dbraw/zinc/68/65/32/1370686532.db2.gz QKDIGQGMTDDQJU-HXUWFJFHSA-N 2 0 328.431 3.168 20 0 EGADRP CCc1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCCC2)cc1 ZINC001115707922 1370686869 /nfs/dbraw/zinc/68/68/69/1370686869.db2.gz DIAOIRUTWDRZHM-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001205241777 1370692051 /nfs/dbraw/zinc/69/20/51/1370692051.db2.gz VPASVHOEGGGRSD-HXUWFJFHSA-N 2 0 344.430 3.294 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)ccc1OC(F)(F)F ZINC001205296504 1370711084 /nfs/dbraw/zinc/71/10/84/1370711084.db2.gz QIPLYYPZFGMZDH-HNNXBMFYSA-N 2 0 332.366 3.297 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205297232 1370711480 /nfs/dbraw/zinc/71/14/80/1370711480.db2.gz QIZRPZJCQZKJLI-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC1CCCC1 ZINC001205303446 1370714278 /nfs/dbraw/zinc/71/42/78/1370714278.db2.gz FSKXOBMBYQZFEG-RDJZCZTQSA-N 2 0 332.488 3.433 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc3cc(Br)ccc3n2)C[C@@H]1C[NH3+] ZINC001205305871 1370714947 /nfs/dbraw/zinc/71/49/47/1370714947.db2.gz TUBFCMNIOXWJMJ-JSGCOSHPSA-N 2 0 348.288 3.414 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c2c1 ZINC001205318292 1370720026 /nfs/dbraw/zinc/72/00/26/1370720026.db2.gz TYRNULWBRADDEG-GDBMZVCRSA-N 2 0 328.456 3.274 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc3ncc(Br)cc3c2)C[C@H]1C[NH3+] ZINC001205317680 1370720144 /nfs/dbraw/zinc/72/01/44/1370720144.db2.gz PLKWYUNQFHUGAO-IUODEOHRSA-N 2 0 348.288 3.414 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cnc3cc(Br)ccc3c2)C[C@H]1C[NH3+] ZINC001205319476 1370721248 /nfs/dbraw/zinc/72/12/48/1370721248.db2.gz ZXKXGXKYAPUCHL-IUODEOHRSA-N 2 0 348.288 3.414 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115778652 1370761620 /nfs/dbraw/zinc/76/16/20/1370761620.db2.gz KDMHMIXCVHFXOA-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464285 1370763630 /nfs/dbraw/zinc/76/36/30/1370763630.db2.gz NANIOQDDZCLGMD-KKHYBRAUSA-N 2 0 349.563 3.149 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483440 1370768593 /nfs/dbraw/zinc/76/85/93/1370768593.db2.gz DHXUUCVZKXHYHK-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205519766 1370779182 /nfs/dbraw/zinc/77/91/82/1370779182.db2.gz GAQOADQDWFLAQS-ONEGZZNKSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001325942778 1388093755 /nfs/dbraw/zinc/09/37/55/1388093755.db2.gz OHWOQBVKKMVDMD-CMKODMSKSA-N 2 0 349.563 3.076 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559934 1370791358 /nfs/dbraw/zinc/79/13/58/1370791358.db2.gz XLJUJHNZXZMRSG-FQEVSTJZSA-N 2 0 344.478 3.201 20 0 EGADRP Cc1ccc(Br)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205559450 1370791426 /nfs/dbraw/zinc/79/14/26/1370791426.db2.gz QYXHQCVOCKWJKK-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP Cc1nc(-c2ccccc2)ncc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570083 1370794892 /nfs/dbraw/zinc/79/48/92/1370794892.db2.gz FGVFLOQQOPYLPD-LJQANCHMSA-N 2 0 328.435 3.105 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)cc21 ZINC001205591991 1370804095 /nfs/dbraw/zinc/80/40/95/1370804095.db2.gz PLLNTWLCZDRURF-HXUWFJFHSA-N 3 0 331.479 3.341 20 0 EGADRP CC(C)(C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592316 1370804181 /nfs/dbraw/zinc/80/41/81/1370804181.db2.gz SMVHEAYTAIHQPH-IBGZPJMESA-N 2 0 335.467 3.324 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205599816 1370806936 /nfs/dbraw/zinc/80/69/36/1370806936.db2.gz AFKBKBNWVCVIJZ-HLAWJBBLSA-N 2 0 329.532 3.348 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205624390 1370814830 /nfs/dbraw/zinc/81/48/30/1370814830.db2.gz CHYQRRVWFOXJTH-UHFFFAOYSA-N 2 0 342.487 3.212 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625512 1370816327 /nfs/dbraw/zinc/81/63/27/1370816327.db2.gz SGSFNWVAYWSJJO-ARJAWSKDSA-N 2 0 340.471 3.132 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651631 1370828852 /nfs/dbraw/zinc/82/88/52/1370828852.db2.gz HSTPAHFUXXNIPQ-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205652034 1370828892 /nfs/dbraw/zinc/82/88/92/1370828892.db2.gz NQCWNZRNGRYTPP-UONOGXRCSA-N 2 0 338.879 3.324 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205651916 1370829149 /nfs/dbraw/zinc/82/91/49/1370829149.db2.gz LQWVJQMBTKWTAG-ZBFHGGJFSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205654198 1370830597 /nfs/dbraw/zinc/83/05/97/1370830597.db2.gz WRGHXXNJONKIGM-HOCLYGCPSA-N 2 0 332.879 3.333 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001205664137 1370833755 /nfs/dbraw/zinc/83/37/55/1370833755.db2.gz MHYHNEGNZLPBCI-FQEVSTJZSA-N 2 0 326.440 3.155 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC001205672323 1370838252 /nfs/dbraw/zinc/83/82/52/1370838252.db2.gz IVEZFPVFTJLDDS-FQEVSTJZSA-N 2 0 326.440 3.155 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700711 1370846075 /nfs/dbraw/zinc/84/60/75/1370846075.db2.gz SSBAWBDWIWRBPX-UHFFFAOYSA-N 2 0 342.487 3.212 20 0 EGADRP [NH3+]C[C@H]1CN(Cc2cccc(-c3ccc(F)cc3)n2)CCC1(F)F ZINC001205781272 1370867823 /nfs/dbraw/zinc/86/78/23/1370867823.db2.gz VOQJBTCDEZGNOL-AWEZNQCLSA-N 2 0 335.373 3.304 20 0 EGADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCc1cccc(Br)c1 ZINC001205903001 1370906018 /nfs/dbraw/zinc/90/60/18/1370906018.db2.gz MKJLTUQBOHNVDF-HIFRSBDPSA-N 2 0 325.294 3.441 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)c1 ZINC001206003256 1370935593 /nfs/dbraw/zinc/93/55/93/1370935593.db2.gz GDPLHYZLZPIESF-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OC3CCOCC3)cc2)CCC[C@H]1C[NH3+] ZINC001206003430 1370935741 /nfs/dbraw/zinc/93/57/41/1370935741.db2.gz HTTLIOLWUJCTQF-AEFFLSMTSA-N 2 0 332.488 3.051 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CCC[C@H]1C[NH3+] ZINC001206013508 1370937679 /nfs/dbraw/zinc/93/76/79/1370937679.db2.gz RTQGSVKOBZXJOJ-MNOVXSKESA-N 2 0 346.422 3.221 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(OCc3ccccc3)no2)CCC[C@H]1C[NH3+] ZINC001206012099 1370937697 /nfs/dbraw/zinc/93/76/97/1370937697.db2.gz ITYYOPVQWASEIV-RDJZCZTQSA-N 2 0 329.444 3.060 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)no2)CCC[C@@H]1C[NH3+] ZINC001206012098 1370938643 /nfs/dbraw/zinc/93/86/43/1370938643.db2.gz ITYYOPVQWASEIV-NVXWUHKLSA-N 2 0 329.444 3.060 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2Br)CCC[C@H]1C[NH3+] ZINC001206026847 1370942439 /nfs/dbraw/zinc/94/24/39/1370942439.db2.gz UJASRDSXGXPOCU-MNOVXSKESA-N 2 0 346.700 3.304 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cn2)CCC[C@H]1C[NH3+] ZINC001206036564 1370944869 /nfs/dbraw/zinc/94/48/69/1370944869.db2.gz LLFRWLAQKRQSPB-HKUYNNGSSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccnc2OCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001206036046 1370945316 /nfs/dbraw/zinc/94/53/16/1370945316.db2.gz FSQALNJAKZUBBX-IEBWSBKVSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@H]1C[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CCC[C@H]1C[NH3+] ZINC001206037509 1370945978 /nfs/dbraw/zinc/94/59/78/1370945978.db2.gz VZAVZXBRRJFKAK-UWVGGRQHSA-N 2 0 342.274 3.023 20 0 EGADRP CC(C)Cc1ccc([C@H](C[NH2+]CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC001206136954 1370968769 /nfs/dbraw/zinc/96/87/69/1370968769.db2.gz VSLITSAWMMYOKA-NRFANRHFSA-N 2 0 331.548 3.419 20 0 EGADRP [NH3+]C[C@@]1(F)CCCCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206335250 1371026336 /nfs/dbraw/zinc/02/63/36/1371026336.db2.gz DDWQXCJLRDUOBX-PMACEKPBSA-N 2 0 333.495 3.052 20 0 EGADRP COc1cnccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001206466239 1371063045 /nfs/dbraw/zinc/06/30/45/1371063045.db2.gz JYZNKKCHOVWPNB-UHFFFAOYSA-N 2 0 341.455 3.171 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481812 1371068639 /nfs/dbraw/zinc/06/86/39/1371068639.db2.gz MMDQGWWBBPNAIZ-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206500685 1371074690 /nfs/dbraw/zinc/07/46/90/1371074690.db2.gz PCEJSXSASARSEG-UHFFFAOYSA-N 2 0 332.366 3.155 20 0 EGADRP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206507017 1371076734 /nfs/dbraw/zinc/07/67/34/1371076734.db2.gz WPZHWXLGHHMVSI-UHFFFAOYSA-N 2 0 343.471 3.214 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206548952 1371090334 /nfs/dbraw/zinc/09/03/34/1371090334.db2.gz SJGZXBOOOXTILB-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001206549362 1371091712 /nfs/dbraw/zinc/09/17/12/1371091712.db2.gz LXLNAGGVRRPRSZ-LJQANCHMSA-N 2 0 326.444 3.220 20 0 EGADRP COc1cccc(-c2ncc(C[N@@H+]3CCCC[C@](C)(C[NH3+])C3)cn2)c1 ZINC001206554023 1371092311 /nfs/dbraw/zinc/09/23/11/1371092311.db2.gz AJCWFLYJAIUEEX-HXUWFJFHSA-N 2 0 340.471 3.103 20 0 EGADRP COc1cccc(-c2ncc(C[N@@H+]3CCCC[C@@](C)(C[NH3+])C3)cn2)c1 ZINC001206554017 1371092789 /nfs/dbraw/zinc/09/27/89/1371092789.db2.gz AJCWFLYJAIUEEX-FQEVSTJZSA-N 2 0 340.471 3.103 20 0 EGADRP CCOc1cc(C(=O)OC)ccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206583843 1371100763 /nfs/dbraw/zinc/10/07/63/1371100763.db2.gz XGFCIQYQCPJNDH-SFHVURJKSA-N 2 0 348.487 3.224 20 0 EGADRP CC(C)[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]CC1 ZINC001206591617 1371101947 /nfs/dbraw/zinc/10/19/47/1371101947.db2.gz UELXBZJGPIYGDJ-AWEZNQCLSA-N 2 0 326.387 3.361 20 0 EGADRP COC(=O)c1cc2cc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)ccc2[nH]1 ZINC001206599491 1371105664 /nfs/dbraw/zinc/10/56/64/1371105664.db2.gz SPFWUSCLKSSMKD-QGZVFWFLSA-N 2 0 343.471 3.307 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c(-c3ccccc3)nc3n2CCS3)C1 ZINC001206623603 1371111558 /nfs/dbraw/zinc/11/15/58/1371111558.db2.gz NTRFLPRJXNWJKB-HNNXBMFYSA-N 2 0 342.512 3.217 20 0 EGADRP Nc1ccc(F)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1F ZINC001206750047 1371152880 /nfs/dbraw/zinc/15/28/80/1371152880.db2.gz SOFDFCFDRUEXML-UHFFFAOYSA-N 2 0 331.410 3.040 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(F)cc(O)cc2F)CC1 ZINC001206755164 1371154712 /nfs/dbraw/zinc/15/47/12/1371154712.db2.gz CRGYUIBPLXEAAS-UHFFFAOYSA-N 2 0 332.394 3.163 20 0 EGADRP CN(C)c1cc(F)cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001206760240 1371155438 /nfs/dbraw/zinc/15/54/38/1371155438.db2.gz BMPNUHKMOLXXPW-UHFFFAOYSA-N 2 0 341.474 3.384 20 0 EGADRP [NH3+][C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC001118287433 1371158423 /nfs/dbraw/zinc/15/84/23/1371158423.db2.gz ZLCZDJPWLDTIGU-MJGOQNOKSA-N 2 0 335.536 3.009 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC(C[NH2+]CC(C)C)CC1)c1ccccc1 ZINC001206868766 1371196786 /nfs/dbraw/zinc/19/67/86/1371196786.db2.gz CRSYDOVKLFADII-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206947662 1371239697 /nfs/dbraw/zinc/23/96/97/1371239697.db2.gz DQFFPLAXPLSAGX-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952213 1371243129 /nfs/dbraw/zinc/24/31/29/1371243129.db2.gz DJPFOBOHZWZGAR-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001206952409 1371243713 /nfs/dbraw/zinc/24/37/13/1371243713.db2.gz NUCKRDSBDZAZSQ-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001206954464 1371244609 /nfs/dbraw/zinc/24/46/09/1371244609.db2.gz KARWMBFPLICZDD-GOSISDBHSA-N 2 0 345.531 3.224 20 0 EGADRP CN(C[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001207276085 1371347757 /nfs/dbraw/zinc/34/77/57/1371347757.db2.gz UCFHMNPRSJOZKN-MRXNPFEDSA-N 2 0 341.540 3.153 20 0 EGADRP COc1cccc(OCC2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001207283484 1371350158 /nfs/dbraw/zinc/35/01/58/1371350158.db2.gz ZANGSSCZSGUQIR-UHFFFAOYSA-N 2 0 334.504 3.374 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)CC(C)(C)C[NH+](C)C ZINC001207286873 1371351035 /nfs/dbraw/zinc/35/10/35/1371351035.db2.gz VZCITUIKGIZYGW-AZUAARDMSA-N 2 0 331.548 3.417 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC001207286746 1371351556 /nfs/dbraw/zinc/35/15/56/1371351556.db2.gz LNHKMZQQGXLKIY-RTWAWAEBSA-N 2 0 328.500 3.400 20 0 EGADRP COC(=O)[C@H](C(C)C)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294819 1371354155 /nfs/dbraw/zinc/35/41/55/1371354155.db2.gz VFONLPDOSBYGKI-IBGZPJMESA-N 2 0 332.488 3.028 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001207399178 1371384144 /nfs/dbraw/zinc/38/41/44/1371384144.db2.gz GJCCSPSZRAQSNS-IBGZPJMESA-N 2 0 339.524 3.050 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001207399686 1371384967 /nfs/dbraw/zinc/38/49/67/1371384967.db2.gz QXCYVDYFYZZIMX-SJORKVTESA-N 2 0 339.524 3.096 20 0 EGADRP Clc1cccc(Cl)c1CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207438222 1371396614 /nfs/dbraw/zinc/39/66/14/1371396614.db2.gz ZBIZOQICBLROBA-UHFFFAOYSA-N 2 0 342.314 3.111 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207463015 1371403008 /nfs/dbraw/zinc/40/30/08/1371403008.db2.gz DJELPRLEGKLBSL-IEBWSBKVSA-N 2 0 332.488 3.383 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCc2cccc(Br)c2)CC1 ZINC001207505243 1371419495 /nfs/dbraw/zinc/41/94/95/1371419495.db2.gz RQSVTBLWOGQLAZ-UHFFFAOYSA-N 2 0 325.294 3.265 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207541174 1371430653 /nfs/dbraw/zinc/43/06/53/1371430653.db2.gz XGBZRHSVNWFNKT-MISYRCLQSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001120005659 1371451928 /nfs/dbraw/zinc/45/19/28/1371451928.db2.gz UJKYZIDJTWOXOL-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001120005437 1371452126 /nfs/dbraw/zinc/45/21/26/1371452126.db2.gz QDYCFKWIBATTKL-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120022235 1371459169 /nfs/dbraw/zinc/45/91/69/1371459169.db2.gz YZLHQHAFFLLYCE-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001120046380 1371468123 /nfs/dbraw/zinc/46/81/23/1371468123.db2.gz WTYMOYIHXRBMRM-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP C[C@H](CCCC(C)(C)O)CCN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001207678089 1371472400 /nfs/dbraw/zinc/47/24/00/1371472400.db2.gz DJYGWZNFWSIXIY-LJQANCHMSA-N 2 0 343.600 3.159 20 0 EGADRP Cc1cc(N2CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC2)cc[nH+]1 ZINC001207683315 1371473987 /nfs/dbraw/zinc/47/39/87/1371473987.db2.gz PWEGHJJMKNTLET-KRWDZBQOSA-N 2 0 333.520 3.479 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190080 1371503410 /nfs/dbraw/zinc/50/34/10/1371503410.db2.gz RCCPHBDDYCZBAD-ROUUACIJSA-N 2 0 337.552 3.458 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CCCCC2)cc1 ZINC001120208245 1371505661 /nfs/dbraw/zinc/50/56/61/1371505661.db2.gz XCRNFZQZWDXULB-UHFFFAOYSA-N 2 0 345.531 3.244 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C[C@H](C)c3ccccc3)CC2)C1 ZINC001207912960 1371536300 /nfs/dbraw/zinc/53/63/00/1371536300.db2.gz AAKXGHZIJXCIDV-HKUYNNGSSA-N 2 0 344.499 3.140 20 0 EGADRP Cc1ccc(CCC[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)o1 ZINC001207944233 1371544856 /nfs/dbraw/zinc/54/48/56/1371544856.db2.gz OFZZNRBQNHIUBH-FQEVSTJZSA-N 2 0 334.504 3.343 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421876 1371568924 /nfs/dbraw/zinc/56/89/24/1371568924.db2.gz FUWGOCPWZBSCRX-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439649 1371577664 /nfs/dbraw/zinc/57/76/64/1371577664.db2.gz HTFIDKVQGPWXML-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120438864 1371577798 /nfs/dbraw/zinc/57/77/98/1371577798.db2.gz CPSFIVROQHXZBF-KJYWSYJISA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120469608 1371588253 /nfs/dbraw/zinc/58/82/53/1371588253.db2.gz LDAIZCMNZURLIB-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208107806 1371596682 /nfs/dbraw/zinc/59/66/82/1371596682.db2.gz KPDCEKAJWAZRRB-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001208105263 1371596794 /nfs/dbraw/zinc/59/67/94/1371596794.db2.gz TTYJUOOVWPSBOZ-UHFFFAOYSA-N 2 0 336.907 3.355 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001208105699 1371597121 /nfs/dbraw/zinc/59/71/21/1371597121.db2.gz AWGOXIWRDHWOFY-IBGZPJMESA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001208112291 1371598398 /nfs/dbraw/zinc/59/83/98/1371598398.db2.gz UTCSYHRWTPRQOU-JOCHJYFZSA-N 2 0 341.543 3.459 20 0 EGADRP CN(C(=O)OC(C)(C)C)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208113505 1371599616 /nfs/dbraw/zinc/59/96/16/1371599616.db2.gz KMTYCDXASBMLDH-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)c1 ZINC001208115169 1371599689 /nfs/dbraw/zinc/59/96/89/1371599689.db2.gz GAXHHIYJNLCUNU-SFHVURJKSA-N 2 0 330.472 3.342 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC001208154459 1371612279 /nfs/dbraw/zinc/61/22/79/1371612279.db2.gz GUUBZLQMRDMAJQ-SFHVURJKSA-N 2 0 335.536 3.431 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330623 1371719539 /nfs/dbraw/zinc/71/95/39/1371719539.db2.gz AUDKSNCLOZHWJK-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208335617 1371723462 /nfs/dbraw/zinc/72/34/62/1371723462.db2.gz WSENQUVJRUIPPZ-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001208453885 1371772384 /nfs/dbraw/zinc/77/23/84/1371772384.db2.gz QUQOUFXGLROOBQ-IBGZPJMESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001208453854 1371772784 /nfs/dbraw/zinc/77/27/84/1371772784.db2.gz PUVNIZQIZHOMPE-DAWZGUTISA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001208454400 1371773082 /nfs/dbraw/zinc/77/30/82/1371773082.db2.gz WNASAXXWNHNOJK-LJQANCHMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001208454072 1371773145 /nfs/dbraw/zinc/77/31/45/1371773145.db2.gz SDEOUPMJOSJMDZ-LJQANCHMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474168 1371781348 /nfs/dbraw/zinc/78/13/48/1371781348.db2.gz JIYNBMYIBFARLC-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208492130 1371786811 /nfs/dbraw/zinc/78/68/11/1371786811.db2.gz FIHZEWZGBQPRAA-FUHIMQAGSA-N 2 0 345.531 3.259 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498876 1371788789 /nfs/dbraw/zinc/78/87/89/1371788789.db2.gz YQTFRMRLSFGKGO-XDXAGZTOSA-N 2 0 340.471 3.275 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208571742 1371822301 /nfs/dbraw/zinc/82/23/01/1371822301.db2.gz RWAPIOUDYNKGKO-QRQLOZEOSA-N 2 0 335.536 3.044 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CC[NH+](C3CCC3)CC2)cc1 ZINC001208581976 1371826594 /nfs/dbraw/zinc/82/65/94/1371826594.db2.gz BVHCGRIJVYFVRO-NRFANRHFSA-N 2 0 327.516 3.211 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CC[NH+](CC3CC3)CC2)cc1 ZINC001208589161 1371829670 /nfs/dbraw/zinc/82/96/70/1371829670.db2.gz RZYUKHNKXJHLSZ-NRFANRHFSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208597996 1371834874 /nfs/dbraw/zinc/83/48/74/1371834874.db2.gz PFDQJRRPRMDYBJ-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC001208606754 1371838542 /nfs/dbraw/zinc/83/85/42/1371838542.db2.gz HFDCNNIIBDCUSO-AWEZNQCLSA-N 2 0 331.435 3.488 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001208727878 1371875166 /nfs/dbraw/zinc/87/51/66/1371875166.db2.gz UCHVDWPEECRCOL-FBQMEGEOSA-N 2 0 343.515 3.493 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208748490 1371882525 /nfs/dbraw/zinc/88/25/25/1371882525.db2.gz JRJYRANXNHDAEN-WEPWYQGCSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208750080 1371883473 /nfs/dbraw/zinc/88/34/73/1371883473.db2.gz YFAKSRQKXXKBSO-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121193816 1371885534 /nfs/dbraw/zinc/88/55/34/1371885534.db2.gz JEUUIJHETNNLNS-GEUNIFFNSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CCCC1 ZINC001208771348 1371891303 /nfs/dbraw/zinc/89/13/03/1371891303.db2.gz ZLKCLBCKZVGASV-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121233945 1371902886 /nfs/dbraw/zinc/90/28/86/1371902886.db2.gz UFGOSLGRFUGTQR-SGPNKGFISA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121267769 1371915743 /nfs/dbraw/zinc/91/57/43/1371915743.db2.gz SCDOEAQZPDZSJR-WZXTXQKWSA-N 2 0 337.552 3.026 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121325710 1371937789 /nfs/dbraw/zinc/93/77/89/1371937789.db2.gz LVGMKZGJATWXEE-KTKRTIGZSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918037 1371944128 /nfs/dbraw/zinc/94/41/28/1371944128.db2.gz CYVCUVFXDZYNNU-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001208928792 1371948436 /nfs/dbraw/zinc/94/84/36/1371948436.db2.gz LFNZZJMNWDAUEC-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP CN(CCC[NH+]1CCCC1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931991 1371950990 /nfs/dbraw/zinc/95/09/90/1371950990.db2.gz DYCPUMRSLYZWDR-OAQYLSRUSA-N 2 0 329.532 3.316 20 0 EGADRP CCOC(=O)[C@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208952568 1371960573 /nfs/dbraw/zinc/96/05/73/1371960573.db2.gz KWOBZIWVORXCQM-HOJAQTOUSA-N 2 0 344.499 3.172 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208956862 1371962104 /nfs/dbraw/zinc/96/21/04/1371962104.db2.gz JEXYWOULVFFFRC-OAQYLSRUSA-N 3 0 341.543 3.316 20 0 EGADRP C[N@H+](CCC(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2)C1CCCCC1 ZINC001121462640 1371982707 /nfs/dbraw/zinc/98/27/07/1371982707.db2.gz LJMBWQDQJAJKCG-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204507 1372037827 /nfs/dbraw/zinc/03/78/27/1372037827.db2.gz IYNWJDXAGHAIHU-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209278422 1372056440 /nfs/dbraw/zinc/05/64/40/1372056440.db2.gz PVAWDKWKRGPVGL-SJLPKXTDSA-N 2 0 349.519 3.218 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001209305295 1372064632 /nfs/dbraw/zinc/06/46/32/1372064632.db2.gz XWQITPRNBDDISY-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323810 1372070069 /nfs/dbraw/zinc/07/00/69/1372070069.db2.gz MRNHXBZWGUTFDN-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121767392 1372074403 /nfs/dbraw/zinc/07/44/03/1372074403.db2.gz DNWDSVAREQYVPN-WOLZCAMPSA-N 2 0 347.547 3.068 20 0 EGADRP COC(C)(C)CC[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001209403472 1372094034 /nfs/dbraw/zinc/09/40/34/1372094034.db2.gz PFFROSDFVWDJEX-UHFFFAOYSA-N 2 0 331.504 3.185 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121859359 1372105523 /nfs/dbraw/zinc/10/55/23/1372105523.db2.gz DMJABPMOMBTVQU-SGPNKGFISA-N 2 0 349.563 3.312 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC001209452149 1372109614 /nfs/dbraw/zinc/10/96/14/1372109614.db2.gz FNGXEFNPDIHXQV-VXKWHMMOSA-N 2 0 341.543 3.316 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001121947423 1372130828 /nfs/dbraw/zinc/13/08/28/1372130828.db2.gz BORPAFCNCDFPQB-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCCC1 ZINC001121971823 1372139304 /nfs/dbraw/zinc/13/93/04/1372139304.db2.gz HKSVOQSTXXFDDG-YSIASYRMSA-N 2 0 347.547 3.007 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)C(C)C ZINC001209586235 1372143661 /nfs/dbraw/zinc/14/36/61/1372143661.db2.gz ZBZOKOURZGVCJM-MISYRCLQSA-N 2 0 349.563 3.290 20 0 EGADRP CCOC(=O)c1c(C)[nH]c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1C ZINC001209607069 1372150420 /nfs/dbraw/zinc/15/04/20/1372150420.db2.gz PDTDSCKBYMMLJJ-UHFFFAOYSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209688254 1372170582 /nfs/dbraw/zinc/17/05/82/1372170582.db2.gz CKQYFWQCQHGQCX-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP Cc1nc[nH]c1CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001122117886 1372179144 /nfs/dbraw/zinc/17/91/44/1372179144.db2.gz FWXUYSSMERCVLF-UHFFFAOYSA-N 2 0 346.519 3.104 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122237759 1372208646 /nfs/dbraw/zinc/20/86/46/1372208646.db2.gz NCHPZRKZOVHVFT-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133416 1372278422 /nfs/dbraw/zinc/27/84/22/1372278422.db2.gz POWTWYUOGSYLEV-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC001210226596 1372299082 /nfs/dbraw/zinc/29/90/82/1372299082.db2.gz HYPHIYGDJDIBNO-HXUWFJFHSA-N 2 0 327.447 3.034 20 0 EGADRP Cc1ccc(Br)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210268811 1372311500 /nfs/dbraw/zinc/31/15/00/1372311500.db2.gz IQNTVLDFZZHAAD-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP CC(=O)c1cccc(Cl)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210270517 1372311788 /nfs/dbraw/zinc/31/17/88/1372311788.db2.gz CVGPXUYDQWHAFS-UHFFFAOYSA-N 2 0 330.819 3.091 20 0 EGADRP c1ccc(-c2ccncc2)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210270720 1372312104 /nfs/dbraw/zinc/31/21/04/1372312104.db2.gz GQBUWOKYQKSFES-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428570 1372351058 /nfs/dbraw/zinc/35/10/58/1372351058.db2.gz SYFINKIMKSKDRW-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001210493246 1372365901 /nfs/dbraw/zinc/36/59/01/1372365901.db2.gz KETLDNFNFWYMNE-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210596413 1372387643 /nfs/dbraw/zinc/38/76/43/1372387643.db2.gz WKLJDRLHXIGZQU-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]C[C@@H](F)CC)C1 ZINC001210633602 1372396116 /nfs/dbraw/zinc/39/61/16/1372396116.db2.gz GFTACIHYRPLEDC-ZWKOTPCHSA-N 2 0 343.531 3.217 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210689348 1372408434 /nfs/dbraw/zinc/40/84/34/1372408434.db2.gz BMVYOCYZEGCDIU-SJORKVTESA-N 2 0 346.519 3.024 20 0 EGADRP CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750980 1372419327 /nfs/dbraw/zinc/41/93/27/1372419327.db2.gz PVBQWMPUXBTSDD-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001210797478 1372427930 /nfs/dbraw/zinc/42/79/30/1372427930.db2.gz SSDZYHABDVAVGB-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210810595 1372430883 /nfs/dbraw/zinc/43/08/83/1372430883.db2.gz AIPHXQJIZONQJQ-HXKWKUIBSA-N 2 0 343.515 3.012 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001211125905 1372488111 /nfs/dbraw/zinc/48/81/11/1372488111.db2.gz KRAQHLNSOJZTIE-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211240612 1372509433 /nfs/dbraw/zinc/50/94/33/1372509433.db2.gz NVOQBVYSNPDOIT-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001211240965 1372509773 /nfs/dbraw/zinc/50/97/73/1372509773.db2.gz PXDIIHIFGYROHQ-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350057 1372538346 /nfs/dbraw/zinc/53/83/46/1372538346.db2.gz NKYZEZKNCFXIMH-WSTZPKSXSA-N 2 0 343.515 3.060 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367080 1372541798 /nfs/dbraw/zinc/54/17/98/1372541798.db2.gz NMOGYCCKAVGALC-NCPJDUFYSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@H](C)[NH2+]C/C=C/Cl)cc1)[NH+](C)C ZINC001326479356 1388208089 /nfs/dbraw/zinc/20/80/89/1388208089.db2.gz HFHHYLKUTKBRED-AVFNPQDESA-N 2 0 337.895 3.046 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211730119 1372609007 /nfs/dbraw/zinc/60/90/07/1372609007.db2.gz PUVUBFLXCUNTKU-VQTJNVASSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC001212335814 1372689264 /nfs/dbraw/zinc/68/92/64/1372689264.db2.gz LGGAZJLBPXWHPM-AWEZNQCLSA-N 2 0 346.328 3.197 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001326524638 1388229012 /nfs/dbraw/zinc/22/90/12/1388229012.db2.gz DVUUNNKGHUYWNI-HNBVOPMISA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)(C(=O)NCC[NH2+]CCC1CCCCCC1)[NH+]1CCCCC1 ZINC001127322137 1373115550 /nfs/dbraw/zinc/11/55/50/1373115550.db2.gz KYJRFLSSAJWCJR-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CSc1ncc(C)cc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001216240998 1373288047 /nfs/dbraw/zinc/28/80/47/1373288047.db2.gz KEUVMGGTEQPHGX-UHFFFAOYSA-N 2 0 329.473 3.002 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001128743344 1373307403 /nfs/dbraw/zinc/30/74/03/1373307403.db2.gz BZWXMSGWJPDJOG-OALUTQOASA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001216494104 1373311882 /nfs/dbraw/zinc/31/18/82/1373311882.db2.gz GWKVWBXGRDOFSM-WSTZPKSXSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001216490794 1373311989 /nfs/dbraw/zinc/31/19/89/1373311989.db2.gz PDBHLCMAUNFWGM-JTDSTZFVSA-N 2 0 349.494 3.055 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001216828895 1373348463 /nfs/dbraw/zinc/34/84/63/1373348463.db2.gz NBVDCXASXDHWNR-OXQOHEQNSA-N 2 0 345.531 3.235 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846377 1373350705 /nfs/dbraw/zinc/35/07/05/1373350705.db2.gz AIDOJVAJNKNPKC-DSTKZSRVSA-N 2 0 349.563 3.290 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001216954269 1373369888 /nfs/dbraw/zinc/36/98/88/1373369888.db2.gz RMTZRWWMZMUHPU-SJLPKXTDSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1ccc2ccccc2c1 ZINC001129380808 1373378162 /nfs/dbraw/zinc/37/81/62/1373378162.db2.gz NDSHKAMXEABIEP-MRXNPFEDSA-N 2 0 339.483 3.091 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)C1CCCCC1)c1ccccc1 ZINC001326629477 1388263145 /nfs/dbraw/zinc/26/31/45/1388263145.db2.gz XVWSPYHVHBGFBM-IBGZPJMESA-N 2 0 345.531 3.354 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190412 1373471737 /nfs/dbraw/zinc/47/17/37/1373471737.db2.gz YRDCJTUATIQWAD-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217790133 1373500531 /nfs/dbraw/zinc/50/05/31/1373500531.db2.gz XPTJSQNCYSSCJE-WIYYLYMNSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218334736 1373599209 /nfs/dbraw/zinc/59/92/09/1373599209.db2.gz FSDVYHLESLUSLS-OXJNMPFZSA-N 2 0 337.467 3.017 20 0 EGADRP Cc1ccc2nc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)sc2c1 ZINC001218526817 1373630924 /nfs/dbraw/zinc/63/09/24/1373630924.db2.gz SPXMPYNWHAINDV-ZDUSSCGKSA-N 2 0 334.489 3.039 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001221374405 1373770881 /nfs/dbraw/zinc/77/08/81/1373770881.db2.gz JKOGIORKVFMSIT-UHFFFAOYSA-N 2 0 335.492 3.293 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221553088 1373780777 /nfs/dbraw/zinc/78/07/77/1373780777.db2.gz QNHYDNQLUHLTKB-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664565 1373787391 /nfs/dbraw/zinc/78/73/91/1373787391.db2.gz ZMQYDOYIOKBIJX-VAMGGRTRSA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccc(C3CC3)cc2)CCCC1 ZINC001131840169 1373832674 /nfs/dbraw/zinc/83/26/74/1373832674.db2.gz BJIHBTMEORMYRH-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@H+](CC3CCCCC3)[C@H]2C1 ZINC001223954807 1375048941 /nfs/dbraw/zinc/04/89/41/1375048941.db2.gz DJNJWZCDOFROON-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663749 1388355577 /nfs/dbraw/zinc/35/55/77/1388355577.db2.gz BKMYQRXMCHFSSN-CMKODMSKSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](CC[C@H](C)F)CC1 ZINC001224884690 1375082623 /nfs/dbraw/zinc/08/26/23/1375082623.db2.gz YWJDEFJDODRZAL-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP CCCCC[NH+]1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001225063536 1375090779 /nfs/dbraw/zinc/09/07/79/1375090779.db2.gz FQNGTLXIENUXTP-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557059 1375123726 /nfs/dbraw/zinc/12/37/26/1375123726.db2.gz DZEPUNZBQCJTHE-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557981 1375124772 /nfs/dbraw/zinc/12/47/72/1375124772.db2.gz XUFHYQWUPCGTOZ-PLNGDYQASA-N 2 0 349.563 3.437 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207844 1375210478 /nfs/dbraw/zinc/21/04/78/1375210478.db2.gz XSPASZDSZLUYBO-QZTJIDSGSA-N 2 0 337.552 3.410 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297429 1375234716 /nfs/dbraw/zinc/23/47/16/1375234716.db2.gz VLVRFNXZZXNGEL-KNPSKYOESA-N 2 0 347.547 3.092 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1C/C=C\c1ccccc1 ZINC001132265561 1375254637 /nfs/dbraw/zinc/25/46/37/1375254637.db2.gz OLOQVTKCFFHRIJ-GDSCYZHGSA-N 2 0 343.515 3.011 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132269485 1375257629 /nfs/dbraw/zinc/25/76/29/1375257629.db2.gz KOEGCZANTSDIOC-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001226765832 1375328856 /nfs/dbraw/zinc/32/88/56/1375328856.db2.gz FXVDDXMRYBHFOI-GUDVDZBRSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001226773064 1375330120 /nfs/dbraw/zinc/33/01/20/1375330120.db2.gz BXPARIYLWZGSIR-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1)C1CC1 ZINC001226801191 1375338260 /nfs/dbraw/zinc/33/82/60/1375338260.db2.gz UWZMMCVFJLDPML-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132409671 1375359020 /nfs/dbraw/zinc/35/90/20/1375359020.db2.gz COZBIGOKSDVCMQ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC)C1 ZINC001132420275 1375368539 /nfs/dbraw/zinc/36/85/39/1375368539.db2.gz PVUPNNUCYJFRIC-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132436999 1375381781 /nfs/dbraw/zinc/38/17/81/1375381781.db2.gz ORXXMZXXNHSSFU-YZPMEYCISA-N 2 0 337.552 3.434 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524497 1375440619 /nfs/dbraw/zinc/44/06/19/1375440619.db2.gz HYFXZRPIEWBFSV-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC001132524365 1375440872 /nfs/dbraw/zinc/44/08/72/1375440872.db2.gz GJKBHIAHTMYHLX-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525901 1375441749 /nfs/dbraw/zinc/44/17/49/1375441749.db2.gz WPYRVWMJQGAESY-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132526100 1375442571 /nfs/dbraw/zinc/44/25/71/1375442571.db2.gz YGPDSKQUAIZBBM-NYQZOWANSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001228064992 1375514557 /nfs/dbraw/zinc/51/45/57/1375514557.db2.gz MMYLLSUCRKFJSM-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791263 1375567129 /nfs/dbraw/zinc/56/71/29/1375567129.db2.gz WAPAXWWJGJGZJF-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCC[NH2+]CC1CCCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790983 1375567219 /nfs/dbraw/zinc/56/72/19/1375567219.db2.gz OSBSNNSGUNGCGW-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228618539 1375618431 /nfs/dbraw/zinc/61/84/31/1375618431.db2.gz MFJWXUCGWDIVSF-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)C1 ZINC001228623575 1375620874 /nfs/dbraw/zinc/62/08/74/1375620874.db2.gz DZGDJYPPJCUJGE-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C(C)C ZINC001228853006 1375694164 /nfs/dbraw/zinc/69/41/64/1375694164.db2.gz MVCPQKYLDLIBOO-QZTJIDSGSA-N 2 0 348.535 3.460 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2F)CC1)[NH+](CC)CC ZINC001229170397 1375780426 /nfs/dbraw/zinc/78/04/26/1375780426.db2.gz AJVQYCCPJSXZOL-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP C[N@H+](CC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001229214912 1375789255 /nfs/dbraw/zinc/78/92/55/1375789255.db2.gz KWSWUOIXBLVOFG-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC001229496958 1375846860 /nfs/dbraw/zinc/84/68/60/1375846860.db2.gz ZKKUTANWPXNWHZ-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC001229523997 1375850957 /nfs/dbraw/zinc/85/09/57/1375850957.db2.gz LNPPWQDLIVJXAO-RCCFBDPRSA-N 2 0 325.541 3.027 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001229545074 1375853084 /nfs/dbraw/zinc/85/30/84/1375853084.db2.gz RCZRUAHPRFDFHU-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001229664897 1375873807 /nfs/dbraw/zinc/87/38/07/1375873807.db2.gz WZBUIOHLFKGKIH-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(CC)CC)C1 ZINC001133263010 1375879371 /nfs/dbraw/zinc/87/93/71/1375879371.db2.gz NOXXWPVRFOLNMC-IEBWSBKVSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133263415 1375880092 /nfs/dbraw/zinc/88/00/92/1375880092.db2.gz UZKCBQHGGAGWBQ-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230016626 1375931666 /nfs/dbraw/zinc/93/16/66/1375931666.db2.gz QRGIXAXEFOCXRJ-PXNSSMCTSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133347581 1375935800 /nfs/dbraw/zinc/93/58/00/1375935800.db2.gz XUBCGPRIOGEUKX-FAPWYTRCSA-N 2 0 337.552 3.147 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001230107668 1375944982 /nfs/dbraw/zinc/94/49/82/1375944982.db2.gz SDLJBKIYAAMRHI-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001230274637 1375981148 /nfs/dbraw/zinc/98/11/48/1375981148.db2.gz DETJNGXMAPDYNN-GJGSYKPXSA-N 2 0 335.536 3.234 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230431629 1376029875 /nfs/dbraw/zinc/02/98/75/1376029875.db2.gz RAMVHKCTALLEBX-ARJAWSKDSA-N 2 0 335.536 3.189 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC001230591777 1376090235 /nfs/dbraw/zinc/09/02/35/1376090235.db2.gz JERURRHUMAZEPC-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cccs2)cc1 ZINC001231430865 1376240316 /nfs/dbraw/zinc/24/03/16/1376240316.db2.gz KYSPKSOXCOWARS-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP c1[nH]c2cnccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001231519181 1376255691 /nfs/dbraw/zinc/25/56/91/1376255691.db2.gz YNPMNRGCFCXMEW-OALUTQOASA-N 2 0 332.451 3.127 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC001133965838 1376290058 /nfs/dbraw/zinc/29/00/58/1376290058.db2.gz MBJZFVIGQHWUPD-NHYWBVRUSA-N 2 0 346.302 3.100 20 0 EGADRP Oc1cncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001232044219 1376390084 /nfs/dbraw/zinc/39/00/84/1376390084.db2.gz FBYMXFDLUHWKKL-VQTJNVASSA-N 2 0 337.467 3.131 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1c(Br)[nH]c3ccccc31)CC2 ZINC001232143773 1376408228 /nfs/dbraw/zinc/40/82/28/1376408228.db2.gz IMVUXTHJOJKJBH-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP c1ccc(CN2C[C@@H]3C[N@@H+](Cc4nccc5ccccc54)C[C@@H]3C2)nc1 ZINC001232250486 1376425006 /nfs/dbraw/zinc/42/50/06/1376425006.db2.gz SRTAUXOMRBULNR-KDURUIRLSA-N 2 0 344.462 3.194 20 0 EGADRP Cc1nc(N)ccc1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232343011 1376445441 /nfs/dbraw/zinc/44/54/41/1376445441.db2.gz VFMPQLPCXMSUDU-UHFFFAOYSA-N 2 0 338.499 3.316 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3ccc(-n4cccn4)cc3Cl)C2)CC1 ZINC001232596064 1376486056 /nfs/dbraw/zinc/48/60/56/1376486056.db2.gz JNQQJCJKMRPPHG-UHFFFAOYSA-N 2 0 330.863 3.053 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1CCC1 ZINC001134520349 1376575387 /nfs/dbraw/zinc/57/53/87/1376575387.db2.gz PGBMMGLHNGNRME-KGLIPLIRSA-N 2 0 337.533 3.096 20 0 EGADRP Cc1c[nH]c(=O)c(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c1 ZINC001233190288 1376581424 /nfs/dbraw/zinc/58/14/24/1376581424.db2.gz FDENZDBBCUHGTM-UHFFFAOYSA-N 2 0 325.456 3.192 20 0 EGADRP CC(C)[N@H+](Cc1ccc(O)c(OCC2CC2)c1)C1CCN(C)CC1 ZINC001233230472 1376594377 /nfs/dbraw/zinc/59/43/77/1376594377.db2.gz IIHKOPMZTOGGEY-UHFFFAOYSA-N 2 0 332.488 3.486 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)cc1C ZINC001327226152 1388452713 /nfs/dbraw/zinc/45/27/13/1388452713.db2.gz WSUHKKVERAFWBS-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607872 1376622079 /nfs/dbraw/zinc/62/20/79/1376622079.db2.gz MZAYFQITROKOGW-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001134612410 1376625015 /nfs/dbraw/zinc/62/50/15/1376625015.db2.gz MDQJBFZXTGFHBI-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001134756230 1376701506 /nfs/dbraw/zinc/70/15/06/1376701506.db2.gz AQWHFPKAGULAHQ-GOSISDBHSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)[NH+]1CCCCCC1 ZINC001134758172 1376704098 /nfs/dbraw/zinc/70/40/98/1376704098.db2.gz YTLAEKFXWQASSM-QGZVFWFLSA-N 2 0 343.515 3.034 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001134773659 1376713840 /nfs/dbraw/zinc/71/38/40/1376713840.db2.gz QDUKRKCGLHXTJG-MSOLQXFVSA-N 2 0 347.547 3.141 20 0 EGADRP CC(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790935 1376724566 /nfs/dbraw/zinc/72/45/66/1376724566.db2.gz LHEMUWYAOOECRZ-HOTGVXAUSA-N 2 0 325.541 3.168 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999102 1376836542 /nfs/dbraw/zinc/83/65/42/1376836542.db2.gz NVCRJKCPNOLNBQ-JKSUJKDBSA-N 2 0 342.487 3.401 20 0 EGADRP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235042156 1376839236 /nfs/dbraw/zinc/83/92/36/1376839236.db2.gz VBGRTKUVCDGEIR-MLGOLLRUSA-N 2 0 329.271 3.112 20 0 EGADRP Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427715 1376870293 /nfs/dbraw/zinc/87/02/93/1376870293.db2.gz MYUGPYYZFKSVKR-VQTJNVASSA-N 2 0 338.499 3.392 20 0 EGADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2nccn2c1 ZINC001235431157 1376872048 /nfs/dbraw/zinc/87/20/48/1376872048.db2.gz LGUBLVZJOQPDIM-CABCVRRESA-N 2 0 332.879 3.199 20 0 EGADRP Fc1ccc(-n2cc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)cn2)cc1 ZINC001235702239 1376884540 /nfs/dbraw/zinc/88/45/40/1376884540.db2.gz QKJMNNJJAUSMQQ-UHFFFAOYSA-N 2 0 342.462 3.223 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101948 1376899722 /nfs/dbraw/zinc/89/97/22/1376899722.db2.gz UNFXUBVHYIGGCO-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP [NH3+]CCN(CC[NH3+])Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001235876931 1376908225 /nfs/dbraw/zinc/90/82/25/1376908225.db2.gz GGRITXNGATWRJL-UHFFFAOYSA-N 2 0 337.389 3.092 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001327258631 1388469671 /nfs/dbraw/zinc/46/96/71/1388469671.db2.gz SSBFYBXHYPRVQB-UYAOXDASSA-N 2 0 347.547 3.423 20 0 EGADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC001236074506 1376931301 /nfs/dbraw/zinc/93/13/01/1376931301.db2.gz ZEKIKERNJMLTCS-LJQANCHMSA-N 2 0 337.467 3.086 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135298141 1377025950 /nfs/dbraw/zinc/02/59/50/1377025950.db2.gz LAWQYXQZHQIOQR-HZPDHXFCSA-N 2 0 337.508 3.264 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCCC1CCCC1 ZINC001135298110 1377026206 /nfs/dbraw/zinc/02/62/06/1377026206.db2.gz KMILGVWIJXJKQA-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001135314948 1377034016 /nfs/dbraw/zinc/03/40/16/1377034016.db2.gz JBQWTQUFFLPFKA-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCC[NH+](C)C ZINC001135317327 1377034650 /nfs/dbraw/zinc/03/46/50/1377034650.db2.gz XPWCLTWCRNZUCV-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[C@@H]1C[C@@H](NC2(c3ccc(OC)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380745 1377051479 /nfs/dbraw/zinc/05/14/79/1377051479.db2.gz MVRVLBAAJCSPLV-MOPGFXCFSA-N 2 0 345.531 3.174 20 0 EGADRP CC(C)(C)[C@H]1C[C@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381956 1377051723 /nfs/dbraw/zinc/05/17/23/1377051723.db2.gz VKKIICDUKHEOQF-IEBWSBKVSA-N 2 0 347.522 3.247 20 0 EGADRP [NH3+]C[C@@H]1CCCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246546256 1377052130 /nfs/dbraw/zinc/05/21/30/1377052130.db2.gz ZVDFOAVXOQOWNJ-JSXRDJHFSA-N 2 0 327.516 3.385 20 0 EGADRP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC[NH2+]1 ZINC001246724922 1377053535 /nfs/dbraw/zinc/05/35/35/1377053535.db2.gz ZWGLDFMVYMYZAW-QCFAMHMHSA-N 2 0 343.515 3.339 20 0 EGADRP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C3)c1 ZINC001246727874 1377053656 /nfs/dbraw/zinc/05/36/56/1377053656.db2.gz WYUSVMRGPHSATO-KCLUMXDGSA-N 2 0 343.515 3.149 20 0 EGADRP C[C@H]1C[C@@H](N2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755220 1377054066 /nfs/dbraw/zinc/05/40/66/1377054066.db2.gz HSXINISIGMDDPD-IRXDYDNUSA-N 2 0 333.545 3.177 20 0 EGADRP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246749143 1377054375 /nfs/dbraw/zinc/05/43/75/1377054375.db2.gz VIFRBOWKESETNH-XYVMCAHJSA-N 2 0 347.528 3.239 20 0 EGADRP Fc1cccc(CN([C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246938757 1377056264 /nfs/dbraw/zinc/05/62/64/1377056264.db2.gz TWGUZZOVNLKZTJ-PWRODBHTSA-N 3 0 345.506 3.302 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]CC2(Cc3ccccc3F)CCOCC2)CC1 ZINC001254510737 1377105467 /nfs/dbraw/zinc/10/54/67/1377105467.db2.gz QBAMYCFNUFOCOA-SFHVURJKSA-N 2 0 334.479 3.239 20 0 EGADRP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254510379 1377105798 /nfs/dbraw/zinc/10/57/98/1377105798.db2.gz VERQTJNKSMRUTP-DZGCQCFKSA-N 2 0 325.294 3.454 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001254508504 1377105825 /nfs/dbraw/zinc/10/58/25/1377105825.db2.gz JXAYLLSXFJRPHC-SFHVURJKSA-N 2 0 335.923 3.378 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471263 1377108896 /nfs/dbraw/zinc/10/88/96/1377108896.db2.gz JKANMSHMONMTCR-ROUUACIJSA-N 2 0 347.547 3.467 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471722 1377109758 /nfs/dbraw/zinc/10/97/58/1377109758.db2.gz ORMUHNIUISBGBB-IAGOWNOFSA-N 2 0 333.520 3.077 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518266 1377116881 /nfs/dbraw/zinc/11/68/81/1377116881.db2.gz FPXIDSJTJWJVLY-UHFFFAOYSA-N 2 0 326.525 3.410 20 0 EGADRP CC1CC[NH+](CCC[NH2+]C2CCC3(CC2)OCC(C)(C)CO3)CC1 ZINC001258518504 1377117305 /nfs/dbraw/zinc/11/73/05/1377117305.db2.gz OUOJLFSXJKEYTK-UHFFFAOYSA-N 2 0 338.536 3.410 20 0 EGADRP O=C1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC001258570705 1377117947 /nfs/dbraw/zinc/11/79/47/1377117947.db2.gz SKXDGWVATPVLBK-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)CC(C)(C)CC[NH3+] ZINC001258638807 1377118450 /nfs/dbraw/zinc/11/84/50/1377118450.db2.gz DILUXXITNZLBHM-KRWDZBQOSA-N 2 0 345.531 3.282 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC001135524543 1377128908 /nfs/dbraw/zinc/12/89/08/1377128908.db2.gz VYWRWRLFLKTENE-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC1CCCCCC1 ZINC001265848145 1377169522 /nfs/dbraw/zinc/16/95/22/1377169522.db2.gz IMBNPNHLMFMGCE-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675628 1377181053 /nfs/dbraw/zinc/18/10/53/1377181053.db2.gz JLMPAVXLNCILOL-DLBZAZTESA-N 2 0 331.504 3.201 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135690527 1377184950 /nfs/dbraw/zinc/18/49/50/1377184950.db2.gz IKYUANUDOLVSDK-MSOLQXFVSA-N 2 0 327.557 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135705972 1377190686 /nfs/dbraw/zinc/19/06/86/1377190686.db2.gz MGYWWYYMEYOXMV-GJZGRUSLSA-N 2 0 347.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2cccc(C)c2)C1 ZINC001266116104 1377192441 /nfs/dbraw/zinc/19/24/41/1377192441.db2.gz FNQZKFAALOWVGU-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135742903 1377199052 /nfs/dbraw/zinc/19/90/52/1377199052.db2.gz ATDMPRLWJAKGNP-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135746600 1377200547 /nfs/dbraw/zinc/20/05/47/1377200547.db2.gz IJCMHPJVNKVWDS-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CCc1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135747576 1377200609 /nfs/dbraw/zinc/20/06/09/1377200609.db2.gz SLVUAAKSJOREGY-ZWKOTPCHSA-N 2 0 347.547 3.006 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135746435 1377200725 /nfs/dbraw/zinc/20/07/25/1377200725.db2.gz HNPQYVFESKDWLP-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767542 1377206039 /nfs/dbraw/zinc/20/60/39/1377206039.db2.gz FLMULRVYSBCGPH-OALUTQOASA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767955 1377206194 /nfs/dbraw/zinc/20/61/94/1377206194.db2.gz KURZACXWOAWQQI-ROUUACIJSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001266190014 1377221170 /nfs/dbraw/zinc/22/11/70/1377221170.db2.gz NYMCNAXFNPHSHE-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827567 1377224000 /nfs/dbraw/zinc/22/40/00/1377224000.db2.gz YJHADGYHBYMZRN-DLBZAZTESA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135860804 1377238328 /nfs/dbraw/zinc/23/83/28/1377238328.db2.gz HTIILQQYSMHHGH-RBUKOAKNSA-N 2 0 347.547 3.327 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944573 1377272691 /nfs/dbraw/zinc/27/26/91/1377272691.db2.gz MBWVLORXFBJOHZ-LSDHHAIUSA-N 2 0 346.519 3.070 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961438 1377277286 /nfs/dbraw/zinc/27/72/86/1377277286.db2.gz QKKHKDZHZCLAPZ-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135965251 1377278086 /nfs/dbraw/zinc/27/80/86/1377278086.db2.gz BGKXQDNFILBHGN-ZWKOTPCHSA-N 2 0 333.520 3.100 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CCCC[NH+](C)C ZINC001135974225 1377282812 /nfs/dbraw/zinc/28/28/12/1377282812.db2.gz KVLMTTNVRHBHKO-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135975867 1377284727 /nfs/dbraw/zinc/28/47/27/1377284727.db2.gz DQYKVWRNYFCIJA-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135977778 1377285069 /nfs/dbraw/zinc/28/50/69/1377285069.db2.gz YWCJBNISROXVFH-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135980332 1377286307 /nfs/dbraw/zinc/28/63/07/1377286307.db2.gz NVKPUFLAWMWRSV-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135979971 1377286413 /nfs/dbraw/zinc/28/64/13/1377286413.db2.gz KRDUXSRZNFPQHN-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135981067 1377286555 /nfs/dbraw/zinc/28/65/55/1377286555.db2.gz XFBQGQPKLYVQID-GJZGRUSLSA-N 2 0 347.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001135995158 1377291682 /nfs/dbraw/zinc/29/16/82/1377291682.db2.gz AEIKYSGTXXHJRY-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001267095477 1377412457 /nfs/dbraw/zinc/41/24/57/1377412457.db2.gz ZDKOYWDDALVVHN-PMACEKPBSA-N 2 0 343.515 3.080 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)CC(C)C ZINC001136648834 1377413530 /nfs/dbraw/zinc/41/35/30/1377413530.db2.gz AAZRWPLDICZAIA-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1)C1CCC1 ZINC001267271147 1377436604 /nfs/dbraw/zinc/43/66/04/1377436604.db2.gz ZUJMWIDMCQAFQW-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563686 1377458100 /nfs/dbraw/zinc/45/81/00/1377458100.db2.gz CYYZSQXFABESCA-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(N4CCCC4)o3)CC2)CC1 ZINC001137067632 1377471561 /nfs/dbraw/zinc/47/15/61/1377471561.db2.gz BTMVVRUYSZVARS-UHFFFAOYSA-N 2 0 331.504 3.434 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)C2(C[NH+](C)C)CC2)C(C)C)c1 ZINC001268219396 1377496880 /nfs/dbraw/zinc/49/68/80/1377496880.db2.gz NCYSSEXJRYXBON-IEBWSBKVSA-N 2 0 345.531 3.128 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)n2c1 ZINC001137309106 1377514337 /nfs/dbraw/zinc/51/43/37/1377514337.db2.gz ZXHHFNBDHRGEJZ-UHFFFAOYSA-N 2 0 326.488 3.197 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(-n2ccnn2)cc1 ZINC001137368106 1377533928 /nfs/dbraw/zinc/53/39/28/1377533928.db2.gz DOZNOATVFHROMK-PMACEKPBSA-N 2 0 339.487 3.106 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001269291259 1377547860 /nfs/dbraw/zinc/54/78/60/1377547860.db2.gz HRSRNGJEQYYKRS-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001269345928 1377552286 /nfs/dbraw/zinc/55/22/86/1377552286.db2.gz WVRGOZGOBLEJSD-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP C[N@@H+](Cc1cc(O)cc(O)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001138331164 1377703818 /nfs/dbraw/zinc/70/38/18/1377703818.db2.gz PHHKLUZUNGURCW-UHFFFAOYSA-N 2 0 340.467 3.442 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ncccc1O)CC2 ZINC001138390753 1377714269 /nfs/dbraw/zinc/71/42/69/1377714269.db2.gz HHDLRHUQTRYVNB-LJQANCHMSA-N 2 0 341.455 3.257 20 0 EGADRP Cc1ccc2[nH]c(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1 ZINC001138419924 1377720837 /nfs/dbraw/zinc/72/08/37/1377720837.db2.gz IOGVWUZEVQZEKI-UHFFFAOYSA-N 2 0 330.520 3.182 20 0 EGADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001138575406 1377746209 /nfs/dbraw/zinc/74/62/09/1377746209.db2.gz RLFVHQIENLNBEN-UHFFFAOYSA-N 2 0 348.535 3.032 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[NH+]1CCCCCC1 ZINC001139362004 1377874267 /nfs/dbraw/zinc/87/42/67/1377874267.db2.gz SGNJWOQMFCJFLR-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP O=c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001139471490 1377890619 /nfs/dbraw/zinc/89/06/19/1377890619.db2.gz XRTXYQDUNDBPSD-VQTJNVASSA-N 2 0 337.467 3.131 20 0 EGADRP Cn1ncc2ccc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cc21 ZINC001139907790 1377975428 /nfs/dbraw/zinc/97/54/28/1377975428.db2.gz NITWVZHXPNODIR-OALUTQOASA-N 2 0 326.488 3.412 20 0 EGADRP Cn1ncc2ccc(C[N@H+](C3CCCC3)C3CCN(C)CC3)cc21 ZINC001139910638 1377976564 /nfs/dbraw/zinc/97/65/64/1377976564.db2.gz SFBLWNKUSYVBGJ-UHFFFAOYSA-N 2 0 326.488 3.412 20 0 EGADRP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001275164100 1378136050 /nfs/dbraw/zinc/13/60/50/1378136050.db2.gz CHOMKMVVDHAKKH-OAQYLSRUSA-N 2 0 340.515 3.017 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001140972826 1378195727 /nfs/dbraw/zinc/19/57/27/1378195727.db2.gz AMXCFLMQCIYAMR-MRXNPFEDSA-N 2 0 341.421 3.213 20 0 EGADRP CN1CCC([NH2+][C@@]23CC[C@@]([NH2+]CCCC(F)(F)F)(C2)CCC3)CC1 ZINC001277624879 1378240705 /nfs/dbraw/zinc/24/07/05/1378240705.db2.gz KTCIQLBTDYKIKY-SJORKVTESA-N 3 0 347.469 3.448 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@]12CC[N@H+](C[C@H]1CCC[NH+](C)C1)C2)C(C)C ZINC001278148778 1378259825 /nfs/dbraw/zinc/25/98/25/1378259825.db2.gz PWWAHSPMYDRDIQ-IRFCIJBXSA-N 2 0 349.563 3.077 20 0 EGADRP Fc1ccc(-c2noc([C@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC001327513531 1388543925 /nfs/dbraw/zinc/54/39/25/1388543925.db2.gz XJDPTFMNAXZNKJ-HOCLYGCPSA-N 2 0 344.434 3.055 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001280761370 1378370167 /nfs/dbraw/zinc/37/01/67/1378370167.db2.gz XCVHAMSJFHSEIP-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(Cc3c(C)onc3-c3ccccc3)C[C@H]2C1 ZINC001141992152 1378402434 /nfs/dbraw/zinc/40/24/34/1378402434.db2.gz DGDSUTCSXPDMKP-HDICACEKSA-N 2 0 325.456 3.424 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1c[nH]c3cc(Br)ccc13)CC2 ZINC001142405489 1378440799 /nfs/dbraw/zinc/44/07/99/1378440799.db2.gz RCSIKSBXBAAZSP-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP COc1cc(Cl)cc(CN2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001144494809 1378736815 /nfs/dbraw/zinc/73/68/15/1378736815.db2.gz FGNGRPSXVOSXQY-UHFFFAOYSA-N 2 0 331.847 3.374 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535293 1378862380 /nfs/dbraw/zinc/86/23/80/1378862380.db2.gz LWGQMLQEPPBKJU-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584733 1378871105 /nfs/dbraw/zinc/87/11/05/1378871105.db2.gz UQTPUCXUGUFXRU-SJORKVTESA-N 2 0 331.504 3.201 20 0 EGADRP CCc1ccc(CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146599605 1378874844 /nfs/dbraw/zinc/87/48/44/1378874844.db2.gz CGDCCQNXMRZBCS-ROUUACIJSA-N 2 0 347.547 3.005 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001146611569 1378877849 /nfs/dbraw/zinc/87/78/49/1378877849.db2.gz MKZAXUWQRCFLNM-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CC2)o1 ZINC001146699007 1378899321 /nfs/dbraw/zinc/89/93/21/1378899321.db2.gz BJGRUYOZGSLVGV-LSDHHAIUSA-N 2 0 335.492 3.018 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1cccc(C)c1 ZINC001147449315 1379023260 /nfs/dbraw/zinc/02/32/60/1379023260.db2.gz NUHCDPNZFXFDLH-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001283621428 1379060576 /nfs/dbraw/zinc/06/05/76/1379060576.db2.gz KPWCTPSBMVYINM-VQIMIIECSA-N 2 0 331.504 3.059 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985992 1379103218 /nfs/dbraw/zinc/10/32/18/1379103218.db2.gz LVQVNNLJOTUVIS-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001283721575 1379143546 /nfs/dbraw/zinc/14/35/46/1379143546.db2.gz JENUVNSRUQWMHP-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001148365548 1379157840 /nfs/dbraw/zinc/15/78/40/1379157840.db2.gz SJBCBRSJUFSPKM-QGZVFWFLSA-N 2 0 339.911 3.229 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)(C)CC1)C2 ZINC001148469588 1379178910 /nfs/dbraw/zinc/17/89/10/1379178910.db2.gz OGLORYKMCKZNTC-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001148625985 1379229146 /nfs/dbraw/zinc/22/91/46/1379229146.db2.gz RMAFEAIWJKFUMY-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)CC1)C2 ZINC001148656762 1379235128 /nfs/dbraw/zinc/23/51/28/1379235128.db2.gz CVAICKLCBQRTIR-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839557 1379280744 /nfs/dbraw/zinc/28/07/44/1379280744.db2.gz RABUSBFRTADWSU-PLNGDYQASA-N 2 0 347.547 3.143 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001149346922 1379367359 /nfs/dbraw/zinc/36/73/59/1379367359.db2.gz MKXISNUOOJXAMK-OAHLLOKOSA-N 2 0 340.471 3.030 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001284028775 1379377644 /nfs/dbraw/zinc/37/76/44/1379377644.db2.gz BIBBXZBGVPWFRV-CRAIPNDOSA-N 2 0 349.544 3.012 20 0 EGADRP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC001327865893 1388609683 /nfs/dbraw/zinc/60/96/83/1388609683.db2.gz VNAPMHJOOYYSAW-GOEBONIOSA-N 2 0 344.434 3.055 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001152246511 1379893094 /nfs/dbraw/zinc/89/30/94/1379893094.db2.gz ZVDDSCVGWIGTIA-HXUWFJFHSA-N 2 0 339.483 3.219 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001152339911 1379914783 /nfs/dbraw/zinc/91/47/83/1379914783.db2.gz DWJHBNCIKCSGQR-SFHVURJKSA-N 2 0 345.531 3.453 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001152479309 1379940645 /nfs/dbraw/zinc/94/06/45/1379940645.db2.gz DYGOCSBQDPYMJL-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH]cn1 ZINC001284600084 1380001138 /nfs/dbraw/zinc/00/11/38/1380001138.db2.gz YXYZSWFBQCGQNY-GOSISDBHSA-N 2 0 348.535 3.433 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361961 1380063681 /nfs/dbraw/zinc/06/36/81/1380063681.db2.gz IZNDYQHVQPSWMP-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1CC ZINC001153446093 1380077941 /nfs/dbraw/zinc/07/79/41/1380077941.db2.gz OOMUXABXUDXEFY-IAGOWNOFSA-N 2 0 336.524 3.413 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814684 1380134840 /nfs/dbraw/zinc/13/48/40/1380134840.db2.gz RUPMLQQFVHUQLT-RTBURBONSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819055 1380136181 /nfs/dbraw/zinc/13/61/81/1380136181.db2.gz LPJUVNIFSBFZFR-MJGOQNOKSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154030041 1380186108 /nfs/dbraw/zinc/18/61/08/1380186108.db2.gz VEPKWGVNYNBWHG-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580162 1380308995 /nfs/dbraw/zinc/30/89/95/1380308995.db2.gz QPZANOYQKJRJGH-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580009 1380309283 /nfs/dbraw/zinc/30/92/83/1380309283.db2.gz KFUWOKRXQUWDOA-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C)C1 ZINC001154784809 1380350594 /nfs/dbraw/zinc/35/05/94/1380350594.db2.gz LZPFKBOHPGCNQR-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844326 1380362950 /nfs/dbraw/zinc/36/29/50/1380362950.db2.gz BGMWZYMXCLDNGG-IEBWSBKVSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844622 1380364141 /nfs/dbraw/zinc/36/41/41/1380364141.db2.gz QHRNPIFIBVGGDQ-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898783 1380374466 /nfs/dbraw/zinc/37/44/66/1380374466.db2.gz SLWAYUZMCPAKLC-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909871 1380375604 /nfs/dbraw/zinc/37/56/04/1380375604.db2.gz VDFOUHBMKPTJPP-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066145 1380401578 /nfs/dbraw/zinc/40/15/78/1380401578.db2.gz DVXQEFLIGBQKGF-UYAOXDASSA-N 2 0 347.547 3.216 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085959 1380405990 /nfs/dbraw/zinc/40/59/90/1380405990.db2.gz VXPIPNQLUHJZEQ-IEBWSBKVSA-N 2 0 337.552 3.290 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)(C)C)[NH+](CC)CC ZINC001155180912 1380420209 /nfs/dbraw/zinc/42/02/09/1380420209.db2.gz WQJNOEDJHXJIQP-IAGOWNOFSA-N 2 0 327.557 3.370 20 0 EGADRP CC[N@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226113 1380426295 /nfs/dbraw/zinc/42/62/95/1380426295.db2.gz HMCARMIOBGSUDZ-OBIQQPLYSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226684 1380426765 /nfs/dbraw/zinc/42/67/65/1380426765.db2.gz NGEJLVGVTYRZPV-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc2c(c1)[C@H](Nc1cc(N(C)C)ncn1)CC21CC[NH2+]CC1 ZINC001155430106 1380451342 /nfs/dbraw/zinc/45/13/42/1380451342.db2.gz DQXZFWIMLUPUSJ-QGZVFWFLSA-N 2 0 337.471 3.029 20 0 EGADRP CC1(C)CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)Cc2ccccc21 ZINC001155469852 1380457171 /nfs/dbraw/zinc/45/71/71/1380457171.db2.gz YYHZYMUMWYCMDO-UHFFFAOYSA-N 2 0 336.483 3.307 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001155520856 1380463604 /nfs/dbraw/zinc/46/36/04/1380463604.db2.gz DQZXKXYFXJGMFR-IAGOWNOFSA-N 2 0 332.492 3.161 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001155802148 1380493495 /nfs/dbraw/zinc/49/34/95/1380493495.db2.gz GVTCEXKKDPOGAE-OXQOHEQNSA-N 2 0 339.483 3.091 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCC1CC1 ZINC001155877914 1380501802 /nfs/dbraw/zinc/50/18/02/1380501802.db2.gz NCLHAMVQVKBPEH-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CN(C)c1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001156315372 1380556836 /nfs/dbraw/zinc/55/68/36/1380556836.db2.gz BEPAKDYBHQDBSE-MISYRCLQSA-N 2 0 336.483 3.470 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465863 1380579333 /nfs/dbraw/zinc/57/93/33/1380579333.db2.gz FLXUSPQIWABSEQ-GOSISDBHSA-N 2 0 333.520 3.054 20 0 EGADRP c1ncn(-c2ccc(C[NH+]3CCCC3)cn2)c1C[NH2+]Cc1ccccc1 ZINC001156508594 1380585781 /nfs/dbraw/zinc/58/57/81/1380585781.db2.gz HNHZVPRQGUKCJY-UHFFFAOYSA-N 2 0 347.466 3.153 20 0 EGADRP Cc1cc2[nH]ccc2c(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)[nH+]1 ZINC001156800613 1380639225 /nfs/dbraw/zinc/63/92/25/1380639225.db2.gz ALVUONIEFDEEPZ-UHFFFAOYSA-N 2 0 344.459 3.265 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098495 1380775288 /nfs/dbraw/zinc/77/52/88/1380775288.db2.gz IEDHHIQTIVQGDV-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109944 1380779013 /nfs/dbraw/zinc/77/90/13/1380779013.db2.gz WHILZWUUPVCJBN-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)n1ncc2c1[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC001328215891 1388690593 /nfs/dbraw/zinc/69/05/93/1388690593.db2.gz RDQPXRBSMDJLLE-IBGZPJMESA-N 2 0 339.487 3.495 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701643 1381007620 /nfs/dbraw/zinc/00/76/20/1381007620.db2.gz GVUBZIBWWHPCJF-KAGICYHLSA-N 2 0 335.536 3.140 20 0 EGADRP C[N@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702597 1381008347 /nfs/dbraw/zinc/00/83/47/1381008347.db2.gz ZAAYSMGMORZRDO-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001157887879 1381061327 /nfs/dbraw/zinc/06/13/27/1381061327.db2.gz ZNKKEKSOGBKBTD-HXUWFJFHSA-N 2 0 345.531 3.081 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc1 ZINC001157987732 1381094086 /nfs/dbraw/zinc/09/40/86/1381094086.db2.gz PYNJGNGDXKCHGV-IEBWSBKVSA-N 2 0 339.487 3.020 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158098783 1381126551 /nfs/dbraw/zinc/12/65/51/1381126551.db2.gz JUBKWQSOGCYNKG-HMECNJMJSA-N 2 0 349.563 3.483 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158336178 1381206149 /nfs/dbraw/zinc/20/61/49/1381206149.db2.gz JAGNGEQUDXGCLT-MOPGFXCFSA-N 2 0 337.552 3.364 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158386015 1381227958 /nfs/dbraw/zinc/22/79/58/1381227958.db2.gz UZVGTNPODVTFQH-GBESFXJTSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450391 1381249010 /nfs/dbraw/zinc/24/90/10/1381249010.db2.gz PHKCREQQDBTGKT-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP C[NH+]1CCC(N(c2cc(-n3ccnc3)cc[nH+]2)C2CCCC2)CC1 ZINC001158493669 1381267582 /nfs/dbraw/zinc/26/75/82/1381267582.db2.gz FWYBMIZPAZCRSK-UHFFFAOYSA-N 2 0 325.460 3.111 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158554392 1381295837 /nfs/dbraw/zinc/29/58/37/1381295837.db2.gz JIVLIAYWXPMBKZ-RRFGBZISSA-N 2 0 349.563 3.388 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001158714523 1381362899 /nfs/dbraw/zinc/36/28/99/1381362899.db2.gz RPGADWNJEDYMPX-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158786820 1381399763 /nfs/dbraw/zinc/39/97/63/1381399763.db2.gz HPJIZMBQFACKDO-CSHXORCISA-N 2 0 337.552 3.388 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCCF)c1 ZINC001158913763 1381461778 /nfs/dbraw/zinc/46/17/78/1381461778.db2.gz BRDVZKHWQIXBHO-LJQANCHMSA-N 2 0 349.494 3.034 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158922527 1381464935 /nfs/dbraw/zinc/46/49/35/1381464935.db2.gz BZOVPLPLBGCSHK-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159122460 1381615891 /nfs/dbraw/zinc/61/58/91/1381615891.db2.gz ZEKCMYQVHQPIMV-UHFFFAOYSA-N 2 0 339.487 3.077 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC001159168772 1381702507 /nfs/dbraw/zinc/70/25/07/1381702507.db2.gz AKCIAWSMHDPDIZ-OAHLLOKOSA-N 2 0 345.512 3.280 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001159334275 1381768085 /nfs/dbraw/zinc/76/80/85/1381768085.db2.gz BNVOIZGFFBCHKX-PKOBYXMFSA-N 2 0 331.504 3.026 20 0 EGADRP c1ccc(C[NH+]2CCN(c3ccc(NC4=CCC[NH2+]C4)cc3)CC2)cc1 ZINC001159508671 1381811674 /nfs/dbraw/zinc/81/16/74/1381811674.db2.gz QZCFFZPVIBMEDP-UHFFFAOYSA-N 2 0 348.494 3.298 20 0 EGADRP Fc1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)ccc1N1CC[NH2+]CC1 ZINC001159537579 1381820585 /nfs/dbraw/zinc/82/05/85/1381820585.db2.gz HZIHNRVBJUYQPT-GOSISDBHSA-N 2 0 344.478 3.179 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001159615211 1381848284 /nfs/dbraw/zinc/84/82/84/1381848284.db2.gz HCDRUBVENNHGRW-UHFFFAOYSA-N 2 0 325.456 3.406 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001159837211 1381917076 /nfs/dbraw/zinc/91/70/76/1381917076.db2.gz BTUYQEOBJLLUIK-IBGZPJMESA-N 2 0 337.552 3.031 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159907576 1381934163 /nfs/dbraw/zinc/93/41/63/1381934163.db2.gz AFFQFNRFKDTMRC-HXUWFJFHSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159908702 1381934249 /nfs/dbraw/zinc/93/42/49/1381934249.db2.gz IWLJHJDAQQTECQ-ROUUACIJSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001159909209 1381934793 /nfs/dbraw/zinc/93/47/93/1381934793.db2.gz LEVWCOMVTWVVON-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159915782 1381936716 /nfs/dbraw/zinc/93/67/16/1381936716.db2.gz NUTWSDVJYPLJMO-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP c1cc(O[C@@H]2CC[NH2+]C2)ccc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001159923553 1381939233 /nfs/dbraw/zinc/93/92/33/1381939233.db2.gz QAIKYQBITOXCPI-UYAOXDASSA-N 2 0 327.472 3.371 20 0 EGADRP C[NH+](C)CCOc1cc(F)ccc1Nc1cccc2c1CC[NH2+]C2 ZINC001159996300 1381963894 /nfs/dbraw/zinc/96/38/94/1381963894.db2.gz WAOYKEJZBLDKAV-UHFFFAOYSA-N 2 0 329.419 3.155 20 0 EGADRP Fc1cccc(N2CC[NH2+]CC2)c1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001160056932 1381985187 /nfs/dbraw/zinc/98/51/87/1381985187.db2.gz ABRFAGGQZSIEGK-KRWDZBQOSA-N 2 0 344.478 3.179 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119750 1382003558 /nfs/dbraw/zinc/00/35/58/1382003558.db2.gz HUPQEFFNCKTJPS-PRPIBZDOSA-N 2 0 347.547 3.354 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1c(F)cccc1O[C@@H]1CC[NH2+]C1 ZINC001160127795 1382006023 /nfs/dbraw/zinc/00/60/23/1382006023.db2.gz FMXRKXBFEULVDM-OAHLLOKOSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1 ZINC001160163017 1382021218 /nfs/dbraw/zinc/02/12/18/1382021218.db2.gz YRCBTMVOVASAOJ-MRXNPFEDSA-N 2 0 329.419 3.372 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175537 1382025107 /nfs/dbraw/zinc/02/51/07/1382025107.db2.gz XJUSGAMISDXLSU-QWFCFKBJSA-N 2 0 349.563 3.147 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001160273202 1382058531 /nfs/dbraw/zinc/05/85/31/1382058531.db2.gz JJUXPDPLLLJJKU-OALUTQOASA-N 2 0 349.494 3.247 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001160273349 1382058739 /nfs/dbraw/zinc/05/87/39/1382058739.db2.gz KSMFPGPRSSCOHT-IEBWSBKVSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160285165 1382060705 /nfs/dbraw/zinc/06/07/05/1382060705.db2.gz CIJCMJWYVBIVMU-LYBXBRPPSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160286526 1382062352 /nfs/dbraw/zinc/06/23/52/1382062352.db2.gz TYITVUKWFYZKRS-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001160479200 1382119097 /nfs/dbraw/zinc/11/90/97/1382119097.db2.gz TZFKJUWVOOMHOM-GOSISDBHSA-N 2 0 337.552 3.291 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001160500744 1382125439 /nfs/dbraw/zinc/12/54/39/1382125439.db2.gz RRWBIZZNDGUDKW-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC001292112353 1382170669 /nfs/dbraw/zinc/17/06/69/1382170669.db2.gz JDAYQFWNKUTFDP-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP COc1ccc2c(cc[nH+]c2N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160736226 1382181445 /nfs/dbraw/zinc/18/14/45/1382181445.db2.gz LGWBHGKHKGZVPU-KBPBESRZSA-N 2 0 325.334 3.196 20 0 EGADRP CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C)cc1 ZINC001160751325 1382186364 /nfs/dbraw/zinc/18/63/64/1382186364.db2.gz WGMDEIAHPILVEF-VQTJNVASSA-N 2 0 347.547 3.190 20 0 EGADRP CC(C)(C[NH3+])c1cn(-c2cc(-n3ccnc3)cc[nH+]2)c2ccccc12 ZINC001160847485 1382214912 /nfs/dbraw/zinc/21/49/12/1382214912.db2.gz KRTFLMFPSLDOJV-UHFFFAOYSA-N 2 0 331.423 3.448 20 0 EGADRP [NH3+]CCc1cn(-c2nc(C(F)F)nc3ccccc32)c2cc[nH+]cc12 ZINC001160951517 1382249248 /nfs/dbraw/zinc/24/92/48/1382249248.db2.gz FIEMPLIVCIMIJY-UHFFFAOYSA-N 2 0 339.349 3.408 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)[C@H](C)c1cccc2ccccc21 ZINC001161047230 1382282497 /nfs/dbraw/zinc/28/24/97/1382282497.db2.gz VVHKLKDSLWAHQE-BEFAXECRSA-N 2 0 327.472 3.076 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161102139 1382297880 /nfs/dbraw/zinc/29/78/80/1382297880.db2.gz VBUAGNCTGHTYDF-SFHVURJKSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161207057 1382341506 /nfs/dbraw/zinc/34/15/06/1382341506.db2.gz PQFSTWGXCDVGQS-QGZVFWFLSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)[NH+](CC)CC ZINC001161212746 1382343731 /nfs/dbraw/zinc/34/37/31/1382343731.db2.gz AEIQLAXHMYFONH-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161220197 1382347151 /nfs/dbraw/zinc/34/71/51/1382347151.db2.gz YMMQKPBCAPMCQP-RTBURBONSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383273 1382391954 /nfs/dbraw/zinc/39/19/54/1382391954.db2.gz OSSDGVSCCKXRFF-RBUKOAKNSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391946 1382397762 /nfs/dbraw/zinc/39/77/62/1382397762.db2.gz ZNBPAASUZWBBMC-HXUWFJFHSA-N 2 0 347.547 3.354 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC001161532562 1382433136 /nfs/dbraw/zinc/43/31/36/1382433136.db2.gz XKPBCKDWUJHQMD-UHFFFAOYSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001161643728 1382468479 /nfs/dbraw/zinc/46/84/79/1382468479.db2.gz AJTRCSXTDFWRMM-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001161644926 1382468606 /nfs/dbraw/zinc/46/86/06/1382468606.db2.gz VGEFNONLXPQPLQ-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645717 1382469474 /nfs/dbraw/zinc/46/94/74/1382469474.db2.gz PJFJFZXWWMHEKO-BQYQJAHWSA-N 2 0 335.536 3.213 20 0 EGADRP [NH3+]C1CCN(c2cccc(NCC3(CC4CC4)CCOCC3)[nH+]2)CC1 ZINC001161652044 1382470816 /nfs/dbraw/zinc/47/08/16/1382470816.db2.gz QTPKFKRCKOLJSS-UHFFFAOYSA-N 2 0 344.503 3.018 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704857 1382485302 /nfs/dbraw/zinc/48/53/02/1382485302.db2.gz IGYSNWQQOMHWPT-RTBURBONSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+](C)CCCCNc1nccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001161724441 1382489472 /nfs/dbraw/zinc/48/94/72/1382489472.db2.gz IQRYNVRYGPHJJU-UHFFFAOYSA-N 2 0 338.499 3.394 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001161733438 1382491647 /nfs/dbraw/zinc/49/16/47/1382491647.db2.gz CBAUFIJZQXLVOJ-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP Fc1cccc([C@@H](Nc2ccc3c(n2)CC[NH2+]C3)C2CC[NH2+]CC2)c1 ZINC001161821015 1382520388 /nfs/dbraw/zinc/52/03/88/1382520388.db2.gz SDZCGTIOMLPSIM-FQEVSTJZSA-N 2 0 340.446 3.019 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1)c1ccccc1 ZINC001161872324 1382535843 /nfs/dbraw/zinc/53/58/43/1382535843.db2.gz AYAIFUMBQSECIY-LJQANCHMSA-N 2 0 336.439 3.195 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001161924619 1382554218 /nfs/dbraw/zinc/55/42/18/1382554218.db2.gz GPOXUCHZTOPQIG-HDICACEKSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938490 1382562644 /nfs/dbraw/zinc/56/26/44/1382562644.db2.gz OMHANUFHPMLSDT-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161993559 1382592509 /nfs/dbraw/zinc/59/25/09/1382592509.db2.gz DTUBXAYXOSJHQA-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001162455168 1382761446 /nfs/dbraw/zinc/76/14/46/1382761446.db2.gz BYYFMRKYMFEZEO-FUHWJXTLSA-N 2 0 325.500 3.382 20 0 EGADRP CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001162935456 1382920927 /nfs/dbraw/zinc/92/09/27/1382920927.db2.gz XFZPVZGHNJJBGF-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncnc2cc(C(C)(C)C)sc21 ZINC001163123064 1382970639 /nfs/dbraw/zinc/97/06/39/1382970639.db2.gz XQVCHJZXUNKETM-UHFFFAOYSA-N 2 0 348.520 3.267 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc2c(Cl)ccc(F)c2n1 ZINC001163128958 1382972296 /nfs/dbraw/zinc/97/22/96/1382972296.db2.gz DWLUTLCOGSVXFI-UHFFFAOYSA-N 2 0 337.830 3.305 20 0 EGADRP C[N@@H+]1CCN(c2ccc(C[NH+]3CCCC3)cn2)[C@H](c2ccccc2)C1 ZINC001163675165 1383102577 /nfs/dbraw/zinc/10/25/77/1383102577.db2.gz YGJYCPWUENBWNU-FQEVSTJZSA-N 2 0 336.483 3.171 20 0 EGADRP Nc1[nH]c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)cc2[nH+]1 ZINC001164491171 1383192858 /nfs/dbraw/zinc/19/28/58/1383192858.db2.gz CMHGNIKVTAAQDF-BPQIPLTHSA-N 2 0 347.466 3.468 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164508479 1383194703 /nfs/dbraw/zinc/19/47/03/1383194703.db2.gz AUYKQRUSSMPDMI-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)nc1 ZINC001165152686 1383237767 /nfs/dbraw/zinc/23/77/67/1383237767.db2.gz VLPNCMCCJQHJMK-GBESFXJTSA-N 2 0 328.504 3.016 20 0 EGADRP C[C@@H]1CN(c2cc(C[NH+](C)C)ccn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165202973 1383248619 /nfs/dbraw/zinc/24/86/19/1383248619.db2.gz QSYSKOPPHRTTSH-MSOLQXFVSA-N 2 0 338.499 3.242 20 0 EGADRP c1ccc(O[C@H]2CC[NH2+]C2)c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001165213600 1383249641 /nfs/dbraw/zinc/24/96/41/1383249641.db2.gz AVPUUSVXDVAZTE-ROUUACIJSA-N 2 0 327.472 3.371 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001165245712 1383257255 /nfs/dbraw/zinc/25/72/55/1383257255.db2.gz CMKBMZGXWNUJJV-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473280 1383300057 /nfs/dbraw/zinc/30/00/57/1383300057.db2.gz ZGGPQGJJYGNUEE-ZMBJWTFHSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001165627735 1383316861 /nfs/dbraw/zinc/31/68/61/1383316861.db2.gz OVNDGOGYWYMUPZ-MJGOQNOKSA-N 2 0 345.531 3.210 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165736032 1383335001 /nfs/dbraw/zinc/33/50/01/1383335001.db2.gz GTJIHHFOIYNEMV-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001165764126 1383341690 /nfs/dbraw/zinc/34/16/90/1383341690.db2.gz MPDPDWFAHFZKQR-CTWPCTMYSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927296 1383365816 /nfs/dbraw/zinc/36/58/16/1383365816.db2.gz ZRZWADPUKQKOPV-UEKDZROGSA-N 2 0 349.563 3.339 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926848 1383366014 /nfs/dbraw/zinc/36/60/14/1383366014.db2.gz GUALLDPZSYOTMF-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)c2cccc3nccn32)CC1 ZINC001166138348 1383394406 /nfs/dbraw/zinc/39/44/06/1383394406.db2.gz LDXGRXDRXQKHML-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166190348 1383400165 /nfs/dbraw/zinc/40/01/65/1383400165.db2.gz ZLEBBGYYEJFRPH-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1 ZINC001166446617 1383423483 /nfs/dbraw/zinc/42/34/83/1383423483.db2.gz CQPACPKKZJHKBS-MOPGFXCFSA-N 2 0 333.520 3.354 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001166677406 1383458400 /nfs/dbraw/zinc/45/84/00/1383458400.db2.gz IZZYAXUUCQGTHL-QZTJIDSGSA-N 2 0 345.531 3.309 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001166744269 1383469946 /nfs/dbraw/zinc/46/99/46/1383469946.db2.gz OJJCZSHWDAUNJQ-UHFFFAOYSA-N 2 0 347.547 3.213 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001166985581 1383509233 /nfs/dbraw/zinc/50/92/33/1383509233.db2.gz BUGBQXCGKJNTJF-GOSISDBHSA-N 2 0 349.494 3.105 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167035425 1383524215 /nfs/dbraw/zinc/52/42/15/1383524215.db2.gz IJBWHIGKITZCKX-ZWKOTPCHSA-N 2 0 339.568 3.131 20 0 EGADRP c1ccc2c(c1)N(c1cc(N3CCCC3)cc[nH+]1)CC21CC[NH2+]CC1 ZINC001167072301 1383533139 /nfs/dbraw/zinc/53/31/39/1383533139.db2.gz YWYGZDUBCFNJJY-UHFFFAOYSA-N 2 0 334.467 3.455 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001167481070 1383647059 /nfs/dbraw/zinc/64/70/59/1383647059.db2.gz YVELGROVJCDREF-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001167608543 1383688465 /nfs/dbraw/zinc/68/84/65/1383688465.db2.gz GBSRFTIJNXTMTO-XBMUEBEBSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001167640027 1383695608 /nfs/dbraw/zinc/69/56/08/1383695608.db2.gz KMFNDPRHSMIHPN-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001167655597 1383700325 /nfs/dbraw/zinc/70/03/25/1383700325.db2.gz VPJWECWWDLSYHW-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001167737674 1383726154 /nfs/dbraw/zinc/72/61/54/1383726154.db2.gz YJTFSQVUTQPROR-IBGZPJMESA-N 2 0 347.547 3.095 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167814973 1383746842 /nfs/dbraw/zinc/74/68/42/1383746842.db2.gz LBDUGVPBKZCSLL-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC001167824045 1383749662 /nfs/dbraw/zinc/74/96/62/1383749662.db2.gz BEWOLZNQRCZJRL-INIZCTEOSA-N 2 0 332.488 3.342 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC2(CCN2Cc2ccccc2)C1 ZINC001167825443 1383749944 /nfs/dbraw/zinc/74/99/44/1383749944.db2.gz JDOPKCURQPQDFA-IBGZPJMESA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC001167825410 1383750420 /nfs/dbraw/zinc/75/04/20/1383750420.db2.gz IPBBMIQFIUCCII-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001167826278 1383750423 /nfs/dbraw/zinc/75/04/23/1383750423.db2.gz OERVITYREVPKJQ-UYAOXDASSA-N 2 0 337.552 3.364 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167825228 1383750428 /nfs/dbraw/zinc/75/04/28/1383750428.db2.gz ICQIWPGRXDWAMX-IRXDYDNUSA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001167826235 1383750478 /nfs/dbraw/zinc/75/04/78/1383750478.db2.gz NASIBMSZHRYPOM-GOSISDBHSA-N 3 0 349.567 3.049 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2ncccc2OC)C1 ZINC001167834760 1383753200 /nfs/dbraw/zinc/75/32/00/1383753200.db2.gz MTVGOAGMBUXVRQ-DLBZAZTESA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2OC)C1 ZINC001167834171 1383753458 /nfs/dbraw/zinc/75/34/58/1383753458.db2.gz IMWIVAXDHLCTAI-ROUUACIJSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N(C(C)=O)C(C)C)CC1 ZINC001167841900 1383756947 /nfs/dbraw/zinc/75/69/47/1383756947.db2.gz UERQUFHRLHJORU-KRWDZBQOSA-N 2 0 325.541 3.218 20 0 EGADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc2c(N)cc[nH+]c2c1 ZINC001167944364 1383775715 /nfs/dbraw/zinc/77/57/15/1383775715.db2.gz FPJUMEXPYLHDIB-INIZCTEOSA-N 2 0 344.459 3.068 20 0 EGADRP C(CC1CCC2(CC1)OCCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971275 1383782814 /nfs/dbraw/zinc/78/28/14/1383782814.db2.gz VVEDCPNBQZOORV-IHWFROFDSA-N 2 0 348.531 3.305 20 0 EGADRP O=C(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccnc1 ZINC001167981848 1383786919 /nfs/dbraw/zinc/78/69/19/1383786919.db2.gz MZPLDOKARPMJTJ-YQQQUEKLSA-N 2 0 327.472 3.040 20 0 EGADRP CCOC(=O)[C@@]1(C)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168003536 1383793916 /nfs/dbraw/zinc/79/39/16/1383793916.db2.gz OUTURRZUIUTYAK-WMWLNJEOSA-N 2 0 334.504 3.057 20 0 EGADRP C[C@H]1CC([NH2+]CCCN2CCCC2=O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006210 1383794750 /nfs/dbraw/zinc/79/47/50/1383794750.db2.gz MOEOLTZYMTWROR-ROUUACIJSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC([NH2+]C[C@@H](O)c2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168020419 1383798501 /nfs/dbraw/zinc/79/85/01/1383798501.db2.gz NACARCKLUXGOOZ-CBGDNZLLSA-N 2 0 339.483 3.146 20 0 EGADRP C[C@H]1CC(N(C)C2CC[NH+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040226 1383802967 /nfs/dbraw/zinc/80/29/67/1383802967.db2.gz LIPZYIVMWUNGBY-ROUUACIJSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H]1CC(N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059891 1383806995 /nfs/dbraw/zinc/80/69/95/1383806995.db2.gz VSCZCWBTKOGFTG-WOIUINJBSA-N 2 0 341.543 3.456 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168171034 1383833469 /nfs/dbraw/zinc/83/34/69/1383833469.db2.gz UAVSVGAJVKXOOR-CQSZACIVSA-N 2 0 338.879 3.018 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168197791 1383841764 /nfs/dbraw/zinc/84/17/64/1383841764.db2.gz AAFKCDWFVKDBFT-GOSISDBHSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001168291441 1383865233 /nfs/dbraw/zinc/86/52/33/1383865233.db2.gz XIHBVGYGCOEFCM-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168290859 1383865528 /nfs/dbraw/zinc/86/55/28/1383865528.db2.gz LJOKMXFCAGSZSY-HDICACEKSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)C3CCCC3)CC2)CC1 ZINC001168305723 1383868225 /nfs/dbraw/zinc/86/82/25/1383868225.db2.gz LTHOZFPBQXQIEM-BIZGZAPZSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326554 1383873188 /nfs/dbraw/zinc/87/31/88/1383873188.db2.gz BAFWNCMVBGYOJA-NUWOQIAWSA-N 2 0 339.524 3.094 20 0 EGADRP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324623 1383873261 /nfs/dbraw/zinc/87/32/61/1383873261.db2.gz RSPZMZKCDHLSPQ-KLAILNCOSA-N 2 0 339.524 3.191 20 0 EGADRP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326552 1383873617 /nfs/dbraw/zinc/87/36/17/1383873617.db2.gz BAFWNCMVBGYOJA-JUVOFCAFSA-N 2 0 339.524 3.094 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC1 ZINC001168328697 1383874470 /nfs/dbraw/zinc/87/44/70/1383874470.db2.gz BHXLFZXWZOYVRG-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(CC[NH3+])c2cc(O)ccc2n1C1CC[NH+](CC2CC2)CC1 ZINC001168371568 1383886209 /nfs/dbraw/zinc/88/62/09/1383886209.db2.gz OKEHIEWJGKNQTC-UHFFFAOYSA-N 2 0 327.472 3.203 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]CCC[NH+]3CCCCC3)CCO2)cc1 ZINC001168602116 1383946408 /nfs/dbraw/zinc/94/64/08/1383946408.db2.gz RFIBWVBPMPSWAC-ICSRJNTNSA-N 2 0 332.488 3.381 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+]CCC[NH+]3CCCCC3)CCO2)cc1 ZINC001168602121 1383946563 /nfs/dbraw/zinc/94/65/63/1383946563.db2.gz RFIBWVBPMPSWAC-UYAOXDASSA-N 2 0 332.488 3.381 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(CC)cc1 ZINC001168606614 1383947347 /nfs/dbraw/zinc/94/73/47/1383947347.db2.gz JQOQPZUTQGQBOW-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)CCO2)cc1 ZINC001168613662 1383949124 /nfs/dbraw/zinc/94/91/24/1383949124.db2.gz JODIFMXSSCKKCE-XFKSJGNHSA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)CCO2)cc1 ZINC001168613663 1383949198 /nfs/dbraw/zinc/94/91/98/1383949198.db2.gz JODIFMXSSCKKCE-XSYGEPLQSA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH+]3CCC([N@H+](C)C4CC4)CC3)CCO2)cc1 ZINC001168665369 1383964257 /nfs/dbraw/zinc/96/42/57/1383964257.db2.gz PNWHMLPUTPFJRE-PZJWPPBQSA-N 2 0 344.499 3.474 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC)c1 ZINC001168666717 1383964573 /nfs/dbraw/zinc/96/45/73/1383964573.db2.gz JRAKYSOZLHIBNP-FQEVSTJZSA-N 2 0 347.547 3.211 20 0 EGADRP CC[N@H+](C)C1CC[NH+]([C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168673502 1383966072 /nfs/dbraw/zinc/96/60/72/1383966072.db2.gz RPUACICXIIZLMV-UYAOXDASSA-N 2 0 332.488 3.331 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C1CCCCCCC1)c1ccccc1 ZINC001307451185 1383993078 /nfs/dbraw/zinc/99/30/78/1383993078.db2.gz TZZZHCDVOFAKJC-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP COC(=O)C1(C)CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001168761365 1383995003 /nfs/dbraw/zinc/99/50/03/1383995003.db2.gz BNSQXZQGZQIMGA-UHFFFAOYSA-N 2 0 336.520 3.495 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CN1C(=O)OC(C)(C)C ZINC001168806207 1384014032 /nfs/dbraw/zinc/01/40/32/1384014032.db2.gz JUYRNKOTCMPWRV-YJBOKZPZSA-N 2 0 347.503 3.236 20 0 EGADRP CC[NH+](CC)Cc1cccc(-n2cnc3ccc(C[NH3+])cc32)c1F ZINC001168845607 1384032343 /nfs/dbraw/zinc/03/23/43/1384032343.db2.gz COFZNHQAWUWLNB-UHFFFAOYSA-N 2 0 326.419 3.465 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001169091252 1384105386 /nfs/dbraw/zinc/10/53/86/1384105386.db2.gz PZGMOSSMTBLYHM-ZHCJQAHYSA-N 2 0 337.508 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3F)CC1)C2 ZINC001169111279 1384108602 /nfs/dbraw/zinc/10/86/02/1384108602.db2.gz OKVJMGZOAHAWDF-ACDBMABISA-N 3 0 345.506 3.253 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(C3CC[NH2+]CC3)c3ccc(F)cc31)C2 ZINC001169146103 1384114460 /nfs/dbraw/zinc/11/44/60/1384114460.db2.gz OMYOVDZUUFBAIV-BJWYYQGGSA-N 2 0 342.462 3.440 20 0 EGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148101 1384114946 /nfs/dbraw/zinc/11/49/46/1384114946.db2.gz YSAMTNNOEGSPCT-UWHLTILDSA-N 2 0 327.516 3.066 20 0 EGADRP C[NH+](C)CCCOc1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cn1 ZINC001169151412 1384115187 /nfs/dbraw/zinc/11/51/87/1384115187.db2.gz JHYCLDKTUPTZBY-PXNSSMCTSA-N 2 0 348.535 3.368 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]([C@H]3CCCc4ccccc43)CC1)C2 ZINC001169156425 1384116760 /nfs/dbraw/zinc/11/67/60/1384116760.db2.gz YDQFOQPZHHOARA-IIZPIQPGSA-N 2 0 339.527 3.307 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160490 1384117407 /nfs/dbraw/zinc/11/74/07/1384117407.db2.gz GQVFRIFIDIUVAJ-LPOYBJAFSA-N 2 0 327.516 3.206 20 0 EGADRP CC[NH+]1CCC(NCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001169220360 1384123830 /nfs/dbraw/zinc/12/38/30/1384123830.db2.gz NPHKKDXJFURHKE-UHFFFAOYSA-N 2 0 329.532 3.015 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(Cc3cccc(F)c3)CCOCC2)CC1 ZINC001169241502 1384126335 /nfs/dbraw/zinc/12/63/35/1384126335.db2.gz MLAZPZHANFVKBT-UHFFFAOYSA-N 2 0 334.479 3.239 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169271716 1384130646 /nfs/dbraw/zinc/13/06/46/1384130646.db2.gz GDCZIFMLXFQUPI-IPJUCJBFSA-N 2 0 330.472 3.086 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001169457867 1384150071 /nfs/dbraw/zinc/15/00/71/1384150071.db2.gz XPDIVUFNJMMLHO-QZTJIDSGSA-N 2 0 335.536 3.044 20 0 EGADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169756314 1384183073 /nfs/dbraw/zinc/18/30/73/1384183073.db2.gz HZNQCXRYBFOCPG-UYAOXDASSA-N 2 0 343.515 3.132 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809737 1384187596 /nfs/dbraw/zinc/18/75/96/1384187596.db2.gz JVOPMDPJJFQKML-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001170138900 1384245465 /nfs/dbraw/zinc/24/54/65/1384245465.db2.gz SOBLJEYXLAXJKZ-WTNASJBWSA-N 2 0 342.531 3.247 20 0 EGADRP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)CCO1 ZINC001170214518 1384266982 /nfs/dbraw/zinc/26/69/82/1384266982.db2.gz PYHLLZSEDCMDQV-JSXRDJHFSA-N 2 0 328.500 3.316 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H](CC)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001170456046 1384324285 /nfs/dbraw/zinc/32/42/85/1384324285.db2.gz NHICOGJUWCYFFN-KSZLIROESA-N 2 0 330.472 3.010 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cn(-c3cccc(F)n3)c3ccccc23)CC1 ZINC001170528541 1384336223 /nfs/dbraw/zinc/33/62/23/1384336223.db2.gz RSGHBJSPLYODPV-UHFFFAOYSA-N 2 0 338.430 3.130 20 0 EGADRP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001170670840 1384360482 /nfs/dbraw/zinc/36/04/82/1384360482.db2.gz UEPNTFUPMQGZHM-QGZVFWFLSA-N 2 0 343.421 3.476 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001170785066 1384384876 /nfs/dbraw/zinc/38/48/76/1384384876.db2.gz NFESHIMZBRSLLK-IBGZPJMESA-N 2 0 349.494 3.076 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCOCC4)CC[C@H]3C2)cc1 ZINC001170846204 1384397479 /nfs/dbraw/zinc/39/74/79/1384397479.db2.gz YOWNRQYOJUUJJS-PWRODBHTSA-N 2 0 328.500 3.400 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3cccc(F)c3C2)cc1 ZINC001170956813 1384417842 /nfs/dbraw/zinc/41/78/42/1384417842.db2.gz HTRMRTWWTMJKAG-GOSISDBHSA-N 2 0 342.458 3.413 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCCCC2)CC1 ZINC001316602913 1384470977 /nfs/dbraw/zinc/47/09/77/1384470977.db2.gz AJSLHXFDZCEYLO-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237187 1384476595 /nfs/dbraw/zinc/47/65/95/1384476595.db2.gz QAAFHVJDGMDLJP-MSOLQXFVSA-N 2 0 345.531 3.497 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171245968 1384477647 /nfs/dbraw/zinc/47/76/47/1384477647.db2.gz CMCOSARPYFGWSK-PKOBYXMFSA-N 2 0 337.552 3.458 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261195 1384481413 /nfs/dbraw/zinc/48/14/13/1384481413.db2.gz RLITYMWDEJBBCS-ROUUACIJSA-N 2 0 345.531 3.497 20 0 EGADRP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001171519738 1384549480 /nfs/dbraw/zinc/54/94/80/1384549480.db2.gz JABBDHOLDLNYCT-HNNXBMFYSA-N 2 0 338.417 3.425 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618894 1384581728 /nfs/dbraw/zinc/58/17/28/1384581728.db2.gz NNAUPUVQMIXDPC-QZTJIDSGSA-N 2 0 348.535 3.219 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618136 1384581838 /nfs/dbraw/zinc/58/18/38/1384581838.db2.gz FQBFYJINLCVXBD-MRXNPFEDSA-N 2 0 325.541 3.314 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CCC(=O)Nc2ccc(F)cc2)CC1(C)C ZINC001171623013 1384582969 /nfs/dbraw/zinc/58/29/69/1384582969.db2.gz GSPRKAZXVWMEHE-UHFFFAOYSA-N 2 0 335.467 3.395 20 0 EGADRP C[NH+]1C(C)(C)CC(n2nc(-c3ccncc3)cc2C[NH3+])CC1(C)C ZINC001171626323 1384584630 /nfs/dbraw/zinc/58/46/30/1384584630.db2.gz YIMHBQFPCOGBCV-UHFFFAOYSA-N 2 0 327.476 3.228 20 0 EGADRP C[NH+]1C(C)(C)CC(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC1(C)C ZINC001171627599 1384585300 /nfs/dbraw/zinc/58/53/00/1384585300.db2.gz YGZWFANIBXNPRE-WKILWMFISA-N 2 0 345.535 3.204 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171629941 1384585855 /nfs/dbraw/zinc/58/58/55/1384585855.db2.gz SPOGNKHQFXTNRS-HOCLYGCPSA-N 2 0 348.466 3.269 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171630013 1384586354 /nfs/dbraw/zinc/58/63/54/1384586354.db2.gz VNENYYXCTWTZMP-HNNXBMFYSA-N 2 0 330.476 3.321 20 0 EGADRP C[NH+]1C(C)(C)CC([NH+]2CCC(N3CC(F)(F)C3)CC2)CC1(C)C ZINC001171639773 1384589129 /nfs/dbraw/zinc/58/91/29/1384589129.db2.gz STUMSBMBFZLYSC-UHFFFAOYSA-N 2 0 329.479 3.053 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171645924 1384591312 /nfs/dbraw/zinc/59/13/12/1384591312.db2.gz DDCDZJYRDBZEDO-JSMQFAGNSA-N 2 0 343.943 3.124 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669560 1384596529 /nfs/dbraw/zinc/59/65/29/1384596529.db2.gz ZPJYPBUQPDQAKV-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP COc1ccc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1C[NH3+] ZINC001171740310 1384621510 /nfs/dbraw/zinc/62/15/10/1384621510.db2.gz JAKMRDKTKKHSCZ-BEFAXECRSA-N 2 0 325.456 3.229 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829805 1384653605 /nfs/dbraw/zinc/65/36/05/1384653605.db2.gz OHZIESNFJGBFIV-MRXNPFEDSA-N 2 0 339.524 3.240 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171924586 1384683838 /nfs/dbraw/zinc/68/38/38/1384683838.db2.gz PYHQOVJDQXDTBV-PXNSSMCTSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931372 1384686731 /nfs/dbraw/zinc/68/67/31/1384686731.db2.gz SSBLKCBDBCAKKB-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931409 1384687065 /nfs/dbraw/zinc/68/70/65/1384687065.db2.gz UKSCVVKPORGYNI-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[NH+]1C[C@H]2C[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001171933152 1384687422 /nfs/dbraw/zinc/68/74/22/1384687422.db2.gz QAFQJYLBXQTTRY-SAGYGOJTSA-N 2 0 336.520 3.161 20 0 EGADRP CC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171961651 1384696633 /nfs/dbraw/zinc/69/66/33/1384696633.db2.gz ACWZFWWQUCZCQP-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP COCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC001171977468 1384701638 /nfs/dbraw/zinc/70/16/38/1384701638.db2.gz BNDNBVHKUPZSRX-IBGZPJMESA-N 2 0 346.515 3.215 20 0 EGADRP CC1(C)C[C@@H](n2cc3c(n2)CC[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC001171977557 1384701927 /nfs/dbraw/zinc/70/19/27/1384701927.db2.gz CKCCEFOHSKJCHD-OALUTQOASA-N 2 0 338.499 3.315 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171983461 1384703717 /nfs/dbraw/zinc/70/37/17/1384703717.db2.gz XJGIEXLVCGEVOK-NSHGMRRFSA-N 2 0 329.532 3.454 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987315 1384706204 /nfs/dbraw/zinc/70/62/04/1384706204.db2.gz UFQLTCSOTJXBND-IFMALSPDSA-N 2 0 341.543 3.457 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCc2cnccn2)C3)cc1 ZINC001172073629 1384720782 /nfs/dbraw/zinc/72/07/82/1384720782.db2.gz SBAGOPMAFMVYJV-WKCHPHFGSA-N 2 0 336.483 3.194 20 0 EGADRP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc(F)cc1 ZINC001172113471 1384730401 /nfs/dbraw/zinc/73/04/01/1384730401.db2.gz HKWQLWYIPWAJOT-RDGPPVDQSA-N 2 0 347.478 3.394 20 0 EGADRP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172197419 1384745227 /nfs/dbraw/zinc/74/52/27/1384745227.db2.gz KSVXXCPNXJCNJG-SFHVURJKSA-N 2 0 339.508 3.134 20 0 EGADRP COCCC[NH+]1CCC(n2cc(CC[NH3+])c3ccc(C)cc32)CC1 ZINC001172245540 1384755099 /nfs/dbraw/zinc/75/50/99/1384755099.db2.gz WINZCYWRLYUSOR-UHFFFAOYSA-N 2 0 329.488 3.124 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001172336707 1384773394 /nfs/dbraw/zinc/77/33/94/1384773394.db2.gz NSULCHPAAFMKNC-IAGOWNOFSA-N 2 0 326.525 3.061 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001172336709 1384773556 /nfs/dbraw/zinc/77/35/56/1384773556.db2.gz NSULCHPAAFMKNC-SJORKVTESA-N 2 0 326.525 3.061 20 0 EGADRP CC(C)COCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172475464 1384801489 /nfs/dbraw/zinc/80/14/89/1384801489.db2.gz JHLMYOUFUYUDAQ-QGZVFWFLSA-N 2 0 326.525 3.013 20 0 EGADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172667287 1384830353 /nfs/dbraw/zinc/83/03/53/1384830353.db2.gz DSDSSFHYVKRINQ-PMACEKPBSA-N 2 0 343.515 3.019 20 0 EGADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172667291 1384830597 /nfs/dbraw/zinc/83/05/97/1384830597.db2.gz DSDSSFHYVKRINQ-VQTJNVASSA-N 2 0 343.515 3.019 20 0 EGADRP C[NH+]1CCC(CN2CC[NH+](C3CCC4(CCCC4)CC3)CC2)CC1 ZINC001172730295 1384839793 /nfs/dbraw/zinc/83/97/93/1384839793.db2.gz COMDRHXSTXJOCE-UHFFFAOYSA-N 2 0 333.564 3.449 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001172767448 1384847624 /nfs/dbraw/zinc/84/76/24/1384847624.db2.gz GKELDNTUHVPFLC-GUDVDZBRSA-N 2 0 332.488 3.391 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001172797129 1384854528 /nfs/dbraw/zinc/85/45/28/1384854528.db2.gz GMOMELLYFLTCIR-QRQLOZEOSA-N 2 0 332.488 3.205 20 0 EGADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172812284 1384857626 /nfs/dbraw/zinc/85/76/26/1384857626.db2.gz VDBWVPSTLJSZBS-NFRJWYAWSA-N 2 0 349.519 3.155 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)CC2 ZINC001172825749 1384859579 /nfs/dbraw/zinc/85/95/79/1384859579.db2.gz IOQIWCQLOWYAFN-QFIPXVFZSA-N 2 0 349.522 3.394 20 0 EGADRP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172953182 1384889090 /nfs/dbraw/zinc/88/90/90/1384889090.db2.gz ZGJNJHORCAKOGQ-XSDIEEQYSA-N 2 0 328.500 3.398 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3cccc(C)n3)CC2)CC1 ZINC001173108406 1384916145 /nfs/dbraw/zinc/91/61/45/1384916145.db2.gz JKZXVYSRCKPVIR-UHFFFAOYSA-N 2 0 330.520 3.165 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC1 ZINC001173111658 1384916857 /nfs/dbraw/zinc/91/68/57/1384916857.db2.gz JLKFVRQNVLBLQK-ACBHZAAOSA-N 2 0 335.536 3.116 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3ncccc3C)C2)CC1 ZINC001173113683 1384917932 /nfs/dbraw/zinc/91/79/32/1384917932.db2.gz KJBNNUJUXBCXQJ-ACBHZAAOSA-N 2 0 331.504 3.496 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(N3CC(F)(F)C3)CC2)CC1 ZINC001173114703 1384917943 /nfs/dbraw/zinc/91/79/43/1384917943.db2.gz QQDBNRWGQJKDHC-UHFFFAOYSA-N 2 0 329.479 3.055 20 0 EGADRP COc1cccc2c1C[C@H]([N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)CO2 ZINC001173163381 1384928772 /nfs/dbraw/zinc/92/87/72/1384928772.db2.gz DHTLMGQLINWHCB-KSZLIROESA-N 2 0 344.499 3.338 20 0 EGADRP CCCC[C@@H](CC(C)C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001173257385 1384945925 /nfs/dbraw/zinc/94/59/25/1384945925.db2.gz ZNOVCUDMCJJQLK-SFHVURJKSA-N 2 0 348.535 3.116 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001173438208 1384969890 /nfs/dbraw/zinc/96/98/90/1384969890.db2.gz YWAJZYFRZNIHIQ-HKUYNNGSSA-N 2 0 332.488 3.220 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317196264 1384970052 /nfs/dbraw/zinc/97/00/52/1384970052.db2.gz ROLTXAHTELTRCX-WDSOQIARSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001317201270 1384977464 /nfs/dbraw/zinc/97/74/64/1384977464.db2.gz AQZHRBNMKRADIH-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173608490 1384987114 /nfs/dbraw/zinc/98/71/14/1384987114.db2.gz UDDXCJNPVXQPOG-XVUAGMNHSA-N 2 0 348.531 3.480 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](C3CCN(CC(F)(F)F)CC3)CC2)CC1 ZINC001173671082 1385000613 /nfs/dbraw/zinc/00/06/13/1385000613.db2.gz TUULDKMUFPPIRD-UHFFFAOYSA-N 2 0 347.469 3.067 20 0 EGADRP C[C@@H]1CC([NH2+]CCCCC[NH+](C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173672403 1385001259 /nfs/dbraw/zinc/00/12/59/1385001259.db2.gz BCVYIRMTIPTSGP-HZPDHXFCSA-N 2 0 341.540 3.484 20 0 EGADRP CC(C)[N@H+](CCC[NH3+])C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173673978 1385001443 /nfs/dbraw/zinc/00/14/43/1385001443.db2.gz WRMJZYBJVFACAW-HUUCEWRRSA-N 2 0 327.513 3.222 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001173708429 1385006299 /nfs/dbraw/zinc/00/62/99/1385006299.db2.gz HYINVPHRPQIAFY-KURKYZTESA-N 2 0 346.515 3.362 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC001173709360 1385006605 /nfs/dbraw/zinc/00/66/05/1385006605.db2.gz NHHDFFTUQQMAJP-QGZVFWFLSA-N 2 0 332.488 3.116 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001173714937 1385008010 /nfs/dbraw/zinc/00/80/10/1385008010.db2.gz LJFMFSHTRUSOMZ-IAGOWNOFSA-N 2 0 332.488 3.258 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CC2CC[NH+](CC(C)C)CC2)cc1 ZINC001173721888 1385009525 /nfs/dbraw/zinc/00/95/25/1385009525.db2.gz QQRMIWPCWQQEMS-KRWDZBQOSA-N 2 0 346.515 3.362 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)cs1 ZINC001317349492 1385099118 /nfs/dbraw/zinc/09/91/18/1385099118.db2.gz GPHBKIPCGGESAO-DLBZAZTESA-N 2 0 349.544 3.058 20 0 EGADRP Cc1cc(Nc2c(F)cccc2OCC2CC[NH+](C)CC2)cc[nH+]1 ZINC001174658184 1385131051 /nfs/dbraw/zinc/13/10/51/1385131051.db2.gz WMZUSBIJIJQEHY-UHFFFAOYSA-N 2 0 329.419 3.415 20 0 EGADRP C[C@@H](CCCC[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880383 1385164067 /nfs/dbraw/zinc/16/40/67/1385164067.db2.gz DJOFCTKAPNCCCS-FUHWJXTLSA-N 2 0 341.515 3.018 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880778 1385164217 /nfs/dbraw/zinc/16/42/17/1385164217.db2.gz HJPRHYCAKZGETF-MJGOQNOKSA-N 2 0 337.552 3.458 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001317471692 1385166470 /nfs/dbraw/zinc/16/64/70/1385166470.db2.gz NWBNZIXEEDMXOZ-HXUWFJFHSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174948386 1385173269 /nfs/dbraw/zinc/17/32/69/1385173269.db2.gz LKKUAMPUVSBAOU-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)c1cccc(C)c1 ZINC001317481176 1385176932 /nfs/dbraw/zinc/17/69/32/1385176932.db2.gz HGIVYRZOGVFHOK-GOSISDBHSA-N 2 0 343.515 3.123 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001175041337 1385185545 /nfs/dbraw/zinc/18/55/45/1385185545.db2.gz OTOGXZLUIZQPRZ-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001175049160 1385186339 /nfs/dbraw/zinc/18/63/39/1385186339.db2.gz OMGDHEMCHPQRIF-OAHLLOKOSA-N 2 0 339.911 3.056 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001175107722 1385195906 /nfs/dbraw/zinc/19/59/06/1385195906.db2.gz PDLXQVCZCUITRJ-AZUAARDMSA-N 2 0 347.547 3.346 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255029 1385229771 /nfs/dbraw/zinc/22/97/71/1385229771.db2.gz BVVXYNWRABVVRP-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264284 1385234663 /nfs/dbraw/zinc/23/46/63/1385234663.db2.gz RXDZRQNGJLXYHZ-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001317641709 1385369120 /nfs/dbraw/zinc/36/91/20/1385369120.db2.gz KMRDVNMDIUCPIX-IBGZPJMESA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175730677 1385388021 /nfs/dbraw/zinc/38/80/21/1385388021.db2.gz OMCHRVRFPVIERG-QGZVFWFLSA-N 2 0 333.520 3.282 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1)C(C)C ZINC001175747212 1385394679 /nfs/dbraw/zinc/39/46/79/1385394679.db2.gz OSAJFHFWYDJIHZ-PKOBYXMFSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001175786119 1385405666 /nfs/dbraw/zinc/40/56/66/1385405666.db2.gz GNKJPEPTNOFSDC-HOTGVXAUSA-N 2 0 347.494 3.028 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC001335985272 1388983543 /nfs/dbraw/zinc/98/35/43/1388983543.db2.gz BXMUFMVWDNRBIV-RTBURBONSA-N 2 0 348.531 3.062 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874124 1385427574 /nfs/dbraw/zinc/42/75/74/1385427574.db2.gz QGMHFNIZVCRNNE-GOSISDBHSA-N 2 0 343.531 3.123 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176023854 1385463987 /nfs/dbraw/zinc/46/39/87/1385463987.db2.gz KDTCHKFEYNDMGB-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001176023858 1385464231 /nfs/dbraw/zinc/46/42/31/1385464231.db2.gz KFRVMCPQVKXYJW-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176110624 1385486209 /nfs/dbraw/zinc/48/62/09/1385486209.db2.gz ACYBCTJBHNGLRU-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165401 1385500868 /nfs/dbraw/zinc/50/08/68/1385500868.db2.gz KPELKDJVZWAFJY-FUHWJXTLSA-N 2 0 325.541 3.029 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317845312 1385531605 /nfs/dbraw/zinc/53/16/05/1385531605.db2.gz OPQLLDCIQVJDNK-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)C1CCN(C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC001317902534 1385565549 /nfs/dbraw/zinc/56/55/49/1385565549.db2.gz FWXILXSRGZEPES-FQEVSTJZSA-N 2 0 348.531 3.158 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318281366 1385640059 /nfs/dbraw/zinc/64/00/59/1385640059.db2.gz GIWYVBWRNFHKIS-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318410588 1385678616 /nfs/dbraw/zinc/67/86/16/1385678616.db2.gz UIFNXFMVKKTIAW-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753660 1385684260 /nfs/dbraw/zinc/68/42/60/1385684260.db2.gz JPEFAHBZMIHJJI-RBUKOAKNSA-N 2 0 337.552 3.338 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176759290 1385686019 /nfs/dbraw/zinc/68/60/19/1385686019.db2.gz IERUERJNLIRRBN-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318435966 1385688178 /nfs/dbraw/zinc/68/81/78/1385688178.db2.gz DOZVSWPCNSINGQ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318484855 1385717885 /nfs/dbraw/zinc/71/78/85/1385717885.db2.gz ZTMUMVONXLJHLW-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001176855862 1385724946 /nfs/dbraw/zinc/72/49/46/1385724946.db2.gz DZPGVWNSOKGNFT-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176857192 1385725727 /nfs/dbraw/zinc/72/57/27/1385725727.db2.gz RWYHAPQFRNPATD-CALCHBBNSA-N 2 0 343.515 3.033 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CCC2=CCCCC2)c1 ZINC001176890462 1385733703 /nfs/dbraw/zinc/73/37/03/1385733703.db2.gz UROSKTWGBGWCIV-UHFFFAOYSA-N 2 0 343.515 3.348 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001176937311 1385748563 /nfs/dbraw/zinc/74/85/63/1385748563.db2.gz ILKVUBJTRBGSLE-LJQANCHMSA-N 2 0 331.504 3.110 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176992255 1385766368 /nfs/dbraw/zinc/76/63/68/1385766368.db2.gz KSVDBRLKUGYCIP-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001176996787 1385767938 /nfs/dbraw/zinc/76/79/38/1385767938.db2.gz DDWJHXLUNCVKRK-HXUWFJFHSA-N 2 0 349.563 3.483 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176999516 1385768892 /nfs/dbraw/zinc/76/88/92/1385768892.db2.gz ZDWZDMAJRSDWHX-QUCCMNQESA-N 2 0 345.531 3.272 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001176998809 1385769415 /nfs/dbraw/zinc/76/94/15/1385769415.db2.gz GDAUIGDBPNHGCO-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCC[NH+]2C)CCCCC1 ZINC001177180237 1385848374 /nfs/dbraw/zinc/84/83/74/1385848374.db2.gz OWDXVHGBLVCCJK-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1C ZINC001698620110 1406257549 /nfs/dbraw/zinc/25/75/49/1406257549.db2.gz GDURNAFWYKUXOM-PKOBYXMFSA-N 2 0 345.531 3.272 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001318969631 1385903438 /nfs/dbraw/zinc/90/34/38/1385903438.db2.gz QCLQONFCZFTGPF-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CCc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001318977126 1385906667 /nfs/dbraw/zinc/90/66/67/1385906667.db2.gz ZRRZQYGSGDGZKN-MXVIHJGJSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001177317319 1385912425 /nfs/dbraw/zinc/91/24/25/1385912425.db2.gz UNGQFFBBLDXZRZ-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1)[NH+](C)C ZINC001319000483 1385919160 /nfs/dbraw/zinc/91/91/60/1385919160.db2.gz RTSCECRRRXUZEA-IBGZPJMESA-N 2 0 345.531 3.169 20 0 EGADRP C[NH+]1CCC(CC(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)CC1 ZINC001177436736 1385956776 /nfs/dbraw/zinc/95/67/76/1385956776.db2.gz IRIZKPCLLNNJJZ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC3CCCCC3)CCCC2)CCC1 ZINC001319361614 1386078839 /nfs/dbraw/zinc/07/88/39/1386078839.db2.gz JBCHWGJFZADTCW-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CCCC1)[NH+](C)C ZINC001319384903 1386094756 /nfs/dbraw/zinc/09/47/56/1386094756.db2.gz FSCSYGWLKMEHIL-QTJNJRLBSA-N 2 0 343.515 3.059 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC001178267601 1386176932 /nfs/dbraw/zinc/17/69/32/1386176932.db2.gz MPGHVKMEEJHKLU-GOSISDBHSA-N 2 0 326.488 3.015 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(CF)cc2)CCCC1)[NH+](C)C ZINC001698635211 1406280061 /nfs/dbraw/zinc/28/00/61/1406280061.db2.gz HULNQGJUBMKOEO-GOSISDBHSA-N 2 0 349.494 3.015 20 0 EGADRP CC(C)(C(=O)NCCCCCC[NH2+]C/C=C/Cl)[NH+]1CCCCC1 ZINC001178491178 1386234273 /nfs/dbraw/zinc/23/42/73/1386234273.db2.gz XQPUZPNBLFEPIC-ZHACJKMWSA-N 2 0 343.943 3.270 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178612117 1386262574 /nfs/dbraw/zinc/26/25/74/1386262574.db2.gz BUQHUEIYSZGGRQ-LKGOPFMKSA-N 2 0 343.531 3.289 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698725 1386282413 /nfs/dbraw/zinc/28/24/13/1386282413.db2.gz RUZKBXKZLBHCTC-PKOBYXMFSA-N 2 0 339.568 3.275 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1)C1CCC1 ZINC001178705432 1386285261 /nfs/dbraw/zinc/28/52/61/1386285261.db2.gz QQIIGJBNYBCTGH-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C)[NH+](C)C ZINC001178815591 1386315259 /nfs/dbraw/zinc/31/52/59/1386315259.db2.gz FTQNXBIYOPJWIV-QZTJIDSGSA-N 2 0 327.557 3.275 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178833067 1386322225 /nfs/dbraw/zinc/32/22/25/1386322225.db2.gz OUVHYWYIHQHQMA-MOPGFXCFSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001178902746 1386343289 /nfs/dbraw/zinc/34/32/89/1386343289.db2.gz FOSWVVYIEYCQEV-UHFFFAOYSA-N 2 0 325.541 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C[C@H](C)CC)C1 ZINC001179357851 1386462480 /nfs/dbraw/zinc/46/24/80/1386462480.db2.gz NJNCHZHANVZLMZ-RTBURBONSA-N 2 0 339.568 3.421 20 0 EGADRP CCc1ccccc1C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179400011 1386475211 /nfs/dbraw/zinc/47/52/11/1386475211.db2.gz JCLNGVKYRVEEHR-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001179461638 1386487811 /nfs/dbraw/zinc/48/78/11/1386487811.db2.gz UGDLZIIGHGAASA-SFHVURJKSA-N 2 0 345.531 3.356 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179525810 1386506256 /nfs/dbraw/zinc/50/62/56/1386506256.db2.gz QLAIXEWAGVJOKG-RYQLBKOJSA-N 2 0 325.541 3.122 20 0 EGADRP Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179549746 1386512292 /nfs/dbraw/zinc/51/22/92/1386512292.db2.gz ITGQGSHAJUDMDL-HKUYNNGSSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc2c[nH+]cn21 ZINC001320101257 1386512647 /nfs/dbraw/zinc/51/26/47/1386512647.db2.gz BTSOLMZDZDJEST-GOEBONIOSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179580811 1386522402 /nfs/dbraw/zinc/52/24/02/1386522402.db2.gz QWUUPSJCDSCBSX-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592438 1386526326 /nfs/dbraw/zinc/52/63/26/1386526326.db2.gz BRRHICSAEXFQOU-KRWDZBQOSA-N 2 0 327.557 3.277 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001179609358 1386530226 /nfs/dbraw/zinc/53/02/26/1386530226.db2.gz PRDGQOSIZOAHAW-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001179826576 1386598048 /nfs/dbraw/zinc/59/80/48/1386598048.db2.gz XPUISGCZWODGEM-OIIZEAPSSA-N 2 0 335.536 3.042 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001179825287 1386598353 /nfs/dbraw/zinc/59/83/53/1386598353.db2.gz IYATZXMBHIVSKK-KDCRJJDASA-N 2 0 349.563 3.432 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC001179840573 1386603923 /nfs/dbraw/zinc/60/39/23/1386603923.db2.gz HBDPSPJYIHOJBE-LPHOPBHVSA-N 2 0 340.471 3.111 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001179850328 1386606415 /nfs/dbraw/zinc/60/64/15/1386606415.db2.gz BHIKCFCQCOOHFD-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001179850657 1386607822 /nfs/dbraw/zinc/60/78/22/1386607822.db2.gz JPXPSADBDDFRCE-QRVBRYPASA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179964634 1386650108 /nfs/dbraw/zinc/65/01/08/1386650108.db2.gz DEDZUKGIOFNASR-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065537 1386685304 /nfs/dbraw/zinc/68/53/04/1386685304.db2.gz REJOINRFNQAEEF-RTBURBONSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001180260138 1386749584 /nfs/dbraw/zinc/74/95/84/1386749584.db2.gz UQHISNDIWSVRPN-IBGZPJMESA-N 2 0 345.531 3.021 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180272326 1386751271 /nfs/dbraw/zinc/75/12/71/1386751271.db2.gz ASROAAGRWFIQNJ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001180369514 1386776100 /nfs/dbraw/zinc/77/61/00/1386776100.db2.gz JRFAZVZPICEOFL-UHFFFAOYSA-N 2 0 347.547 3.410 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001180369648 1386777031 /nfs/dbraw/zinc/77/70/31/1386777031.db2.gz QJTHARFDKMTZGL-CEXWTWQISA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CCCF)[NH+]1CCCCC1 ZINC001180373046 1386777551 /nfs/dbraw/zinc/77/75/51/1386777551.db2.gz OYPROFIVWDOBSI-GOSISDBHSA-N 2 0 343.531 3.123 20 0 EGADRP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001321188269 1386835338 /nfs/dbraw/zinc/83/53/38/1386835338.db2.gz GXQORXOBGBYYBK-JTDRTSHGSA-N 2 0 349.906 3.147 20 0 EGADRP C[N@H+](CC(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC001180629277 1386852392 /nfs/dbraw/zinc/85/23/92/1386852392.db2.gz RMWRIXFUZLETEX-UHFFFAOYSA-N 2 0 329.488 3.309 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001321642825 1386947192 /nfs/dbraw/zinc/94/71/92/1386947192.db2.gz XWPLYMAKQLURJX-SJORKVTESA-N 2 0 345.531 3.307 20 0 EGADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)[nH]n1 ZINC001321654882 1386950550 /nfs/dbraw/zinc/95/05/50/1386950550.db2.gz UAIGLCKISFBBCF-UHFFFAOYSA-N 2 0 332.879 3.373 20 0 EGADRP CC(C)N(C(=O)C12CC(C1)CC[N@@H+]2Cc1ccccc1)C(C)(C)C[NH3+] ZINC001181495513 1387005212 /nfs/dbraw/zinc/00/52/12/1387005212.db2.gz SVFYQWVSJDZHSA-UHFFFAOYSA-N 2 0 343.515 3.015 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671012 1387035940 /nfs/dbraw/zinc/03/59/40/1387035940.db2.gz HLEPVCQOYWHBAL-QWFCFKBJSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181728250 1387046837 /nfs/dbraw/zinc/04/68/37/1387046837.db2.gz IWGONQKGPZBTQO-YFVAEKQCSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181728249 1387046877 /nfs/dbraw/zinc/04/68/77/1387046877.db2.gz IWGONQKGPZBTQO-SLYNCCJLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001181801251 1387057432 /nfs/dbraw/zinc/05/74/32/1387057432.db2.gz RYVBFGXVESMKJL-WSTZPKSXSA-N 2 0 339.568 3.083 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC001322150453 1387078706 /nfs/dbraw/zinc/07/87/06/1387078706.db2.gz UJHGEEVBAREJHX-UHFFFAOYSA-N 2 0 348.560 3.406 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C3)CC2)CC1 ZINC001181975464 1387086019 /nfs/dbraw/zinc/08/60/19/1387086019.db2.gz DRRQVAVJWVKZJU-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)NCC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC001182236545 1387128878 /nfs/dbraw/zinc/12/88/78/1387128878.db2.gz ROUGSCRPOVFORG-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@]1(C)C[NH2+]CCCC(C)(C)C ZINC001182411058 1387162875 /nfs/dbraw/zinc/16/28/75/1387162875.db2.gz UNJGCOFIDPKMRZ-YLJYHZDGSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623733 1387198076 /nfs/dbraw/zinc/19/80/76/1387198076.db2.gz UKPWGLBTAGCZGD-YLJYHZDGSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001182807239 1387228128 /nfs/dbraw/zinc/22/81/28/1387228128.db2.gz OUTYPFSEUJSGKB-LVCYWYKZSA-N 2 0 349.563 3.125 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001329491949 1389130788 /nfs/dbraw/zinc/13/07/88/1389130788.db2.gz YPKFRMLRMOWTEV-HNNXBMFYSA-N 2 0 347.528 3.201 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001698725661 1406375279 /nfs/dbraw/zinc/37/52/79/1406375279.db2.gz NFHMURSXMPLNDC-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001331069025 1389618765 /nfs/dbraw/zinc/61/87/65/1389618765.db2.gz QFGCOPHZQUBQGY-LJQANCHMSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)CCC[NH+](C)C ZINC001331919570 1389910590 /nfs/dbraw/zinc/91/05/90/1389910590.db2.gz PZIRENWMTDEDSF-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(CN2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001331979508 1389933301 /nfs/dbraw/zinc/93/33/01/1389933301.db2.gz CLBCAGDARNDZDY-SEJPIABJSA-N 2 0 327.516 3.033 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001332184741 1390027447 /nfs/dbraw/zinc/02/74/47/1390027447.db2.gz KQNMOPUTMNINNK-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001332221086 1390053417 /nfs/dbraw/zinc/05/34/17/1390053417.db2.gz WUGMKKGKFUDSJW-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001332424383 1390113625 /nfs/dbraw/zinc/11/36/25/1390113625.db2.gz LWDKVENQYMABDU-UHFFFAOYSA-N 2 0 329.488 3.016 20 0 EGADRP Fc1ccc2c(c1)[nH+]ccc2N1CCC([NH2+]C2CCOCC2)CC1 ZINC001340111359 1390228838 /nfs/dbraw/zinc/22/88/38/1390228838.db2.gz SMLGDWQRRPDDDQ-UHFFFAOYSA-N 2 0 329.419 3.111 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001698772182 1406433029 /nfs/dbraw/zinc/43/30/29/1406433029.db2.gz RCCYXPNOSWKFIM-OXJNMPFZSA-N 2 0 341.499 3.022 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001333839644 1390419803 /nfs/dbraw/zinc/41/98/03/1390419803.db2.gz AAFWEIUVXCINPC-ABSDTBQOSA-N 2 0 342.462 3.174 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001334335548 1390519434 /nfs/dbraw/zinc/51/94/34/1390519434.db2.gz JEBIBDMVUIVEPO-XHSDSOJGSA-N 2 0 325.456 3.410 20 0 EGADRP COc1ccc2[nH+]ccc(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c2c1 ZINC001334337168 1390519806 /nfs/dbraw/zinc/51/98/06/1390519806.db2.gz RXCUMWWWFIJSGA-ARFHVFGLSA-N 2 0 325.456 3.410 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2c(C)cnn2COC)CC1 ZINC001334983426 1390628428 /nfs/dbraw/zinc/62/84/28/1390628428.db2.gz CYRWGXCWLPWFEN-UHFFFAOYSA-N 2 0 336.524 3.129 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@H]2C1 ZINC001335133196 1390646545 /nfs/dbraw/zinc/64/65/45/1390646545.db2.gz DQCONCTXWBQZJG-ANQUJSFKSA-N 2 0 335.517 3.157 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001344430660 1390790947 /nfs/dbraw/zinc/79/09/47/1390790947.db2.gz YNCBAMOBYWFHBW-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2nccn2C)cc1 ZINC001345632069 1390870533 /nfs/dbraw/zinc/87/05/33/1390870533.db2.gz ISMGUBFIVZVQOE-INIZCTEOSA-N 2 0 340.471 3.366 20 0 EGADRP Fc1ccc(Cn2cc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001345955582 1390897055 /nfs/dbraw/zinc/89/70/55/1390897055.db2.gz HALZPIYOFHGTJV-UHFFFAOYSA-N 2 0 342.462 3.036 20 0 EGADRP Cc1sc(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1C ZINC001346018371 1390901262 /nfs/dbraw/zinc/90/12/62/1390901262.db2.gz UYDJRBWDPIIMSQ-UHFFFAOYSA-N 2 0 335.517 3.077 20 0 EGADRP Cn1cc(-c2ccc(C[N@H+](CCC[NH3+])Cc3ccccc3)cc2)cn1 ZINC001349324470 1391321017 /nfs/dbraw/zinc/32/10/17/1391321017.db2.gz GHQJFEALROTVFI-UHFFFAOYSA-N 2 0 334.467 3.438 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001698829319 1406522120 /nfs/dbraw/zinc/52/21/20/1406522120.db2.gz VWERTQXDFFVLAS-FUHWJXTLSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001698831468 1406525387 /nfs/dbraw/zinc/52/53/87/1406525387.db2.gz ARBDWVSZOQSLEI-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP CC1([NH+]2CCCC2)CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC001354822396 1392171020 /nfs/dbraw/zinc/17/10/20/1392171020.db2.gz XYPGPWSWYKYDFB-BIXGBWIQSA-N 2 0 341.499 3.134 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001698848842 1406551272 /nfs/dbraw/zinc/55/12/72/1406551272.db2.gz QWIOQMQICVRDNO-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001479315206 1392212020 /nfs/dbraw/zinc/21/20/20/1392212020.db2.gz QKBXHJWNFLKKJD-MKXGPGLRSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001479826022 1392414069 /nfs/dbraw/zinc/41/40/69/1392414069.db2.gz LTKIEJBPOVGTMS-KDOFPFPSSA-N 2 0 328.460 3.026 20 0 EGADRP CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001479826025 1392414072 /nfs/dbraw/zinc/41/40/72/1392414072.db2.gz LTKIEJBPOVGTMS-RDTXWAMCSA-N 2 0 328.460 3.026 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001479831085 1392417312 /nfs/dbraw/zinc/41/73/12/1392417312.db2.gz CSFBXIGMRCMJJI-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001479831083 1392417525 /nfs/dbraw/zinc/41/75/25/1392417525.db2.gz CSFBXIGMRCMJJI-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001479889387 1392460162 /nfs/dbraw/zinc/46/01/62/1392460162.db2.gz XWBVWDDTGMYQRY-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001479969263 1392505864 /nfs/dbraw/zinc/50/58/64/1392505864.db2.gz ZPLSNEPZJNBNRQ-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264248 1392648375 /nfs/dbraw/zinc/64/83/75/1392648375.db2.gz BWKKYQHDOMDRRF-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(C)cccc1C)[NH+](C)C ZINC001480333347 1392693015 /nfs/dbraw/zinc/69/30/15/1392693015.db2.gz RMOVDPGGLBDGPP-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001480351402 1392700138 /nfs/dbraw/zinc/70/01/38/1392700138.db2.gz LHIZUJZHYUSXOD-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC1CC1)CC(C)(C)C ZINC001480373854 1392716983 /nfs/dbraw/zinc/71/69/83/1392716983.db2.gz SXBMFZKYYNUVNK-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2CCC([NH2+]CCC3CC3)CC2)CCCCC1 ZINC001480407299 1392744563 /nfs/dbraw/zinc/74/45/63/1392744563.db2.gz VGFRKBVOKCULQW-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480734095 1392898164 /nfs/dbraw/zinc/89/81/64/1392898164.db2.gz YPLYFGAEIQBDNN-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cccc(C)c1C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480864508 1392987505 /nfs/dbraw/zinc/98/75/05/1392987505.db2.gz RBFYKWSAARGLCR-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H](C)c1ccccc1 ZINC001481004454 1393082832 /nfs/dbraw/zinc/08/28/32/1393082832.db2.gz CCCSKVTYMRHEIZ-RTBURBONSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](C/C=C\c2ccccc2)C1 ZINC001490456350 1394233955 /nfs/dbraw/zinc/23/39/55/1394233955.db2.gz AKTILVDHKIAFNM-RVPHRTOXSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481779677 1394525004 /nfs/dbraw/zinc/52/50/04/1394525004.db2.gz WFKUQMNGGZYQIQ-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(CC)CC)CC1 ZINC001482017465 1394674292 /nfs/dbraw/zinc/67/42/92/1394674292.db2.gz POIATDITDFXRIO-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001482035346 1394696411 /nfs/dbraw/zinc/69/64/11/1394696411.db2.gz XJKYVHYAYSFTNY-XLIONFOSSA-N 2 0 345.531 3.026 20 0 EGADRP CCC[NH+]1CCC(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001482049352 1394711792 /nfs/dbraw/zinc/71/17/92/1394711792.db2.gz ADMNAIOCAOZYMI-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482055870 1394717693 /nfs/dbraw/zinc/71/76/93/1394717693.db2.gz KWXVDUUPGXBPGV-XCLUONLBSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001482100343 1394747051 /nfs/dbraw/zinc/74/70/51/1394747051.db2.gz DDJSBIUMAARQOH-ICSRJNTNSA-N 2 0 345.531 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001482356447 1394919191 /nfs/dbraw/zinc/91/91/91/1394919191.db2.gz NSOMWAWGQADLEU-FXAWDEMLSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001482356321 1394919570 /nfs/dbraw/zinc/91/95/70/1394919570.db2.gz NHKQSLQSVIBTPE-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001482504314 1395057170 /nfs/dbraw/zinc/05/71/70/1395057170.db2.gz ICXMIBYVUCWHMA-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484164758 1395301552 /nfs/dbraw/zinc/30/15/52/1395301552.db2.gz DUSYHBMRBOVZQG-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001484390423 1395360116 /nfs/dbraw/zinc/36/01/16/1395360116.db2.gz OPLAYRHGFDGUER-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001484723344 1395486323 /nfs/dbraw/zinc/48/63/23/1395486323.db2.gz NRQVMVARADAYFB-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CC(C)C1 ZINC001484760996 1395514016 /nfs/dbraw/zinc/51/40/16/1395514016.db2.gz ORNVMAVPQRGSGO-ACBHZAAOSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001484765816 1395519536 /nfs/dbraw/zinc/51/95/36/1395519536.db2.gz SVWKDENUQANJGT-HKUYNNGSSA-N 2 0 333.520 3.177 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001484983688 1395625080 /nfs/dbraw/zinc/62/50/80/1395625080.db2.gz XBSXMQOEBNJBAL-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001485767920 1396145177 /nfs/dbraw/zinc/14/51/77/1396145177.db2.gz SHODMXGBICRNCQ-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccccc21)[NH+](C)C ZINC001503276137 1396249704 /nfs/dbraw/zinc/24/97/04/1396249704.db2.gz UAJSRRRWZBDSMX-DBVUQKKJSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001690030629 1404269438 /nfs/dbraw/zinc/26/94/38/1404269438.db2.gz CIGMQDQQZKQYSE-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001690487266 1404601865 /nfs/dbraw/zinc/60/18/65/1404601865.db2.gz MNZLIKHXWYWHKL-IEBWSBKVSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC001690632443 1404666196 /nfs/dbraw/zinc/66/61/96/1404666196.db2.gz YUVTXPPDZHHJNM-SJORKVTESA-N 2 0 339.483 3.217 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001690713903 1404696114 /nfs/dbraw/zinc/69/61/14/1404696114.db2.gz ZDZZIMMGRFBPBM-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690780804 1404728961 /nfs/dbraw/zinc/72/89/61/1404728961.db2.gz LYVPMCWZCRHTFJ-ROUUACIJSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690785579 1404732855 /nfs/dbraw/zinc/73/28/55/1404732855.db2.gz WAHKGGHYEHOBFL-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001690822959 1404759226 /nfs/dbraw/zinc/75/92/26/1404759226.db2.gz OXSWVFOKXLFUBH-IBGZPJMESA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001690989602 1404906371 /nfs/dbraw/zinc/90/63/71/1404906371.db2.gz CJPNIVKTAQAUBY-PBHICJAKSA-N 2 0 339.911 3.035 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001691678546 1405412974 /nfs/dbraw/zinc/41/29/74/1405412974.db2.gz NQARZGKRHGVNCY-QZTJIDSGSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CCC1)CC2 ZINC001691690333 1405425096 /nfs/dbraw/zinc/42/50/96/1405425096.db2.gz RBHYXDPKNCOCBT-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)Cc2cccc(C)c2)CC1 ZINC001692026278 1405744039 /nfs/dbraw/zinc/74/40/39/1405744039.db2.gz FTZILVHURHLCIM-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001698586378 1406203466 /nfs/dbraw/zinc/20/34/66/1406203466.db2.gz BTJNCYRSWOUGEB-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+](C)C ZINC001698588818 1406209362 /nfs/dbraw/zinc/20/93/62/1406209362.db2.gz UNZJYPHRECGVIC-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCCCC1 ZINC001698601640 1406227572 /nfs/dbraw/zinc/22/75/72/1406227572.db2.gz SDGIYTOQTPFFIK-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]C[C@H](C)CC(C)C ZINC001698604485 1406231099 /nfs/dbraw/zinc/23/10/99/1406231099.db2.gz OQWGYWXHOJMSLM-WBVHZDCISA-N 2 0 344.503 3.423 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001732058368 1428303767 /nfs/dbraw/zinc/30/37/67/1428303767.db2.gz FJKLDSMNIXYFEF-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001732151031 1428394562 /nfs/dbraw/zinc/39/45/62/1428394562.db2.gz VNECTINSPAPCTN-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC001732393592 1428562007 /nfs/dbraw/zinc/56/20/07/1428562007.db2.gz CCZFFMUQQNDZHN-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732442300 1428582876 /nfs/dbraw/zinc/58/28/76/1428582876.db2.gz GHDKUAJPUZTJQX-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001732488901 1428611877 /nfs/dbraw/zinc/61/18/77/1428611877.db2.gz ONNBXOSWAMFOCX-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001732530600 1428650918 /nfs/dbraw/zinc/65/09/18/1428650918.db2.gz IMSVBFFUWVZFHO-IRXDYDNUSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699471749 1412853140 /nfs/dbraw/zinc/85/31/40/1412853140.db2.gz LQGXWRNWAOBRNP-ZWKOTPCHSA-N 2 0 339.568 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001699489647 1412886403 /nfs/dbraw/zinc/88/64/03/1412886403.db2.gz ZZLYGEGFAQUFRL-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001699630680 1413000932 /nfs/dbraw/zinc/00/09/32/1413000932.db2.gz ROGDYBNGRRFULX-IBGZPJMESA-N 2 0 345.531 3.016 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699700920 1413114454 /nfs/dbraw/zinc/11/44/54/1413114454.db2.gz BFXNLBULCFAWNE-NQIIRXRSSA-N 2 0 343.515 3.014 20 0 EGADRP CC[C@H](C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC001699772700 1413180311 /nfs/dbraw/zinc/18/03/11/1413180311.db2.gz RTRDLCMFSXIQHO-LJQANCHMSA-N 2 0 345.531 3.278 20 0 EGADRP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001699877124 1413337097 /nfs/dbraw/zinc/33/70/97/1413337097.db2.gz QRADXPKLTXMQPS-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001700185352 1413604536 /nfs/dbraw/zinc/60/45/36/1413604536.db2.gz ZSYMRDVKPXTJBQ-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001700190880 1413619385 /nfs/dbraw/zinc/61/93/85/1413619385.db2.gz LTCYFOCBUWYWHX-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001700196404 1413638037 /nfs/dbraw/zinc/63/80/37/1413638037.db2.gz DZJMTPKVFLCBHQ-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001700291824 1413745193 /nfs/dbraw/zinc/74/51/93/1413745193.db2.gz GQLGCAURMUBERZ-DLBZAZTESA-N 2 0 339.568 3.370 20 0 EGADRP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCCCCC1 ZINC001700327516 1413797598 /nfs/dbraw/zinc/79/75/98/1413797598.db2.gz JIAWNMHYFUZDJV-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001700537589 1414205069 /nfs/dbraw/zinc/20/50/69/1414205069.db2.gz FLEZVZPUONUUQN-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001700822131 1414478325 /nfs/dbraw/zinc/47/83/25/1414478325.db2.gz NXVVOFBRIZOMKQ-YLJYHZDGSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001700844559 1414493755 /nfs/dbraw/zinc/49/37/55/1414493755.db2.gz WOYOFUZWHNTLKC-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001700880437 1414536312 /nfs/dbraw/zinc/53/63/12/1414536312.db2.gz MKFVDZPXDCSRKN-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)N(CC[N@H+](C)Cc1ccccc1C)C(C)C)[NH+](C)C ZINC001700976964 1414613353 /nfs/dbraw/zinc/61/33/53/1414613353.db2.gz BRGFKHPTUXNAHG-LJQANCHMSA-N 2 0 333.520 3.004 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733037409 1429163370 /nfs/dbraw/zinc/16/33/70/1429163370.db2.gz GIIOXPLIQUZCMO-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC1CCCC1 ZINC001707442629 1417346739 /nfs/dbraw/zinc/34/67/39/1417346739.db2.gz HLVVDGXCSAKICY-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713052729 1417604964 /nfs/dbraw/zinc/60/49/64/1417604964.db2.gz IZFHMEVZSSYOCQ-KRWDZBQOSA-N 2 0 343.515 3.155 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+](CCC3CC3)C2)CCCCC1 ZINC001713217923 1417797033 /nfs/dbraw/zinc/79/70/33/1417797033.db2.gz LGVSQNXIPQMSJV-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001713309859 1417934583 /nfs/dbraw/zinc/93/45/83/1417934583.db2.gz KPEWGQSQECIJHG-HGZMWJMZSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001733067601 1429221907 /nfs/dbraw/zinc/22/19/07/1429221907.db2.gz QULVGTLEINQENU-UZRURVBFSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001713399536 1418019328 /nfs/dbraw/zinc/01/93/28/1418019328.db2.gz OQOALAGDTCSZFF-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP CCc1ccccc1C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001713469723 1418136350 /nfs/dbraw/zinc/13/63/50/1418136350.db2.gz XCERCJOREAMFHR-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001713602612 1418390103 /nfs/dbraw/zinc/39/01/03/1418390103.db2.gz SEFVDNBSJZXCMW-PBHICJAKSA-N 2 0 339.911 3.035 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713719768 1418490454 /nfs/dbraw/zinc/49/04/54/1418490454.db2.gz HGLLXXLGXLJLHJ-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)c1 ZINC001713735929 1418529291 /nfs/dbraw/zinc/52/92/91/1418529291.db2.gz ZOQJGWTZABHUCU-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713804719 1418617319 /nfs/dbraw/zinc/61/73/19/1418617319.db2.gz CKRGZIIAZVWOHX-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001714141607 1418943943 /nfs/dbraw/zinc/94/39/43/1418943943.db2.gz CTMVMXKDLXXKNM-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714154781 1418963142 /nfs/dbraw/zinc/96/31/42/1418963142.db2.gz ZIXVUWMGSAGSTR-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001714491205 1419214669 /nfs/dbraw/zinc/21/46/69/1419214669.db2.gz XGDWBYOUZKSWBR-QZTJIDSGSA-N 2 0 345.531 3.272 20 0 EGADRP C[N@H+](CCCC(C)(C)C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714543752 1419269600 /nfs/dbraw/zinc/26/96/00/1419269600.db2.gz RTOPDJJACMKZQV-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP O=C(NCC[C@H]1CC[N@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001714868196 1419596478 /nfs/dbraw/zinc/59/64/78/1419596478.db2.gz OOSHZVMSHLOWEO-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001714879898 1419615521 /nfs/dbraw/zinc/61/55/21/1419615521.db2.gz KCLIYWSEIPBNRF-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC[C@@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001714882442 1419620002 /nfs/dbraw/zinc/62/00/02/1419620002.db2.gz OSBIEMLYRJHXMY-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CC1CCCCC1 ZINC001715069911 1419805101 /nfs/dbraw/zinc/80/51/01/1419805101.db2.gz WCVKPYGGXJXZFZ-QGZVFWFLSA-N 2 0 342.487 3.321 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1ccccc1F ZINC001715082456 1419819220 /nfs/dbraw/zinc/81/92/20/1419819220.db2.gz IWLPVWAAFLLKJF-DLBZAZTESA-N 2 0 349.494 3.103 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001715211831 1419944137 /nfs/dbraw/zinc/94/41/37/1419944137.db2.gz YXTNVGDDZPDAMP-AFMYVXGZSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CCCC1 ZINC001715307987 1420017278 /nfs/dbraw/zinc/01/72/78/1420017278.db2.gz PJGYGAVOROUEQN-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001715422350 1420114362 /nfs/dbraw/zinc/11/43/62/1420114362.db2.gz PLFOGZDDMZWZPO-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001715457498 1420138527 /nfs/dbraw/zinc/13/85/27/1420138527.db2.gz GRGPVZAVYSQAJS-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001715457574 1420138797 /nfs/dbraw/zinc/13/87/97/1420138797.db2.gz HMSARKUCTRQFQB-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCC2CC2)CC1 ZINC001715472088 1420150970 /nfs/dbraw/zinc/15/09/70/1420150970.db2.gz TXZCJYXKPYYRAA-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001715497331 1420179040 /nfs/dbraw/zinc/17/90/40/1420179040.db2.gz DMIMXHSXSLCKLM-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](CC[NH2+][C@@H]1CCCc2ccc(F)cc21)NC(=O)CCC[NH+](C)C ZINC001715678840 1420291158 /nfs/dbraw/zinc/29/11/58/1420291158.db2.gz LBXFAXNYQQOBTM-HNAYVOBHSA-N 2 0 349.494 3.029 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716044181 1420507336 /nfs/dbraw/zinc/50/73/36/1420507336.db2.gz AWLMQZGDNKUEJD-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC(C)(C)C)C1 ZINC001716051941 1420516337 /nfs/dbraw/zinc/51/63/37/1420516337.db2.gz UCUHORUMVCHBDT-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCC[NH+](C)C)c1 ZINC001716068322 1420525856 /nfs/dbraw/zinc/52/58/56/1420525856.db2.gz YTMUKIKEVOOVSL-VQTJNVASSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001716420630 1420647890 /nfs/dbraw/zinc/64/78/90/1420647890.db2.gz WYKGXRQAAVTXPN-DNVCBOLYSA-N 2 0 349.494 3.029 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733274997 1429437880 /nfs/dbraw/zinc/43/78/80/1429437880.db2.gz RXWFDELGKGYHIP-MOPGFXCFSA-N 2 0 335.536 3.116 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2CC2CCC(C)(C)CC2)CC1 ZINC001716666271 1420820511 /nfs/dbraw/zinc/82/05/11/1420820511.db2.gz CRNORGMUZGEYFW-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001733278577 1429446606 /nfs/dbraw/zinc/44/66/06/1429446606.db2.gz UYKWBFRSOTZSRN-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001716886359 1421010059 /nfs/dbraw/zinc/01/00/59/1421010059.db2.gz HSLYTLJOFFUAFM-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717145177 1421138019 /nfs/dbraw/zinc/13/80/19/1421138019.db2.gz KASWJPGRZHKVNG-HWYAZIHESA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001717357337 1421293261 /nfs/dbraw/zinc/29/32/61/1421293261.db2.gz JWRSXJPIPTWLJY-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCCc2ccccc21 ZINC001717494618 1421434541 /nfs/dbraw/zinc/43/45/41/1421434541.db2.gz KRYYDFXAPNZAMP-YLJYHZDGSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CCC1CCCC1 ZINC001717751414 1421614282 /nfs/dbraw/zinc/61/42/82/1421614282.db2.gz WJZXHDHXSDBGFK-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@H]1C ZINC001717801966 1421630049 /nfs/dbraw/zinc/63/00/49/1421630049.db2.gz JPJUKMMAOJCVTF-POQYLXETSA-N 2 0 343.515 3.011 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001717827058 1421640740 /nfs/dbraw/zinc/64/07/40/1421640740.db2.gz VHOYAIHSLLVGJG-LPHOPBHVSA-N 2 0 337.552 3.122 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001717882745 1421686478 /nfs/dbraw/zinc/68/64/78/1421686478.db2.gz HLGZLRBHRXFZFS-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001717996550 1421764437 /nfs/dbraw/zinc/76/44/37/1421764437.db2.gz IPIZOTIRQNQITO-UHFFFAOYSA-N 2 0 345.531 3.052 20 0 EGADRP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CC2CCCCC2)C1)CC(C)(C)C ZINC001733415153 1429618741 /nfs/dbraw/zinc/61/87/41/1429618741.db2.gz YUXUNQWXJVTBPR-FQEVSTJZSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH2+]CC3CCC3)C2)CCCCC1 ZINC001733432840 1429640355 /nfs/dbraw/zinc/64/03/55/1429640355.db2.gz KFUBUEKTRBNTQB-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001733463077 1429691908 /nfs/dbraw/zinc/69/19/08/1429691908.db2.gz PTPIBTKTPGONPR-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCCCCC3)CC2)C1 ZINC001723552126 1424460518 /nfs/dbraw/zinc/46/05/18/1424460518.db2.gz MPGBITWTFLBNPG-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001724748936 1425118151 /nfs/dbraw/zinc/11/81/51/1425118151.db2.gz XITJQEUDXPHGQF-QGZVFWFLSA-N 2 0 331.504 3.095 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)CC2)CCC1 ZINC001724836275 1425184553 /nfs/dbraw/zinc/18/45/53/1425184553.db2.gz GVPCENXLXQARFN-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001724846778 1425200267 /nfs/dbraw/zinc/20/02/67/1425200267.db2.gz TZTZGJSRYREKGN-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724850005 1425209912 /nfs/dbraw/zinc/20/99/12/1425209912.db2.gz BZKUWZUMNLUTQQ-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CCC1CCCC1 ZINC001724850582 1425213224 /nfs/dbraw/zinc/21/32/24/1425213224.db2.gz IXMKCZCLNHHYFE-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001724859292 1425239872 /nfs/dbraw/zinc/23/98/72/1425239872.db2.gz CIJKBWOLTIOXID-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)Cc3c[nH]cn3)cc2C1 ZINC001724924174 1425314996 /nfs/dbraw/zinc/31/49/96/1425314996.db2.gz VNPHJCNHHCBTMU-HNNXBMFYSA-N 2 0 340.471 3.020 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001724991470 1425394064 /nfs/dbraw/zinc/39/40/64/1425394064.db2.gz HICYURVZYXPHGP-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001725003481 1425413977 /nfs/dbraw/zinc/41/39/77/1425413977.db2.gz PQQZJDJWAQRCBT-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(F)c2)[C@@H](C)C1 ZINC001725003287 1425414184 /nfs/dbraw/zinc/41/41/84/1425414184.db2.gz PAAYZIQBPZCFSV-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001725265148 1425898508 /nfs/dbraw/zinc/89/85/08/1425898508.db2.gz JOXZJPAQHMEDNJ-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001725506885 1426190795 /nfs/dbraw/zinc/19/07/95/1426190795.db2.gz VFYJRAHBEOFRCA-QGZVFWFLSA-N 2 0 347.547 3.262 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001725613103 1426273828 /nfs/dbraw/zinc/27/38/28/1426273828.db2.gz AYFXWRSDWKIFNC-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)[C@@H]1C ZINC001725627494 1426293919 /nfs/dbraw/zinc/29/39/19/1426293919.db2.gz LNDCFRPHDMBWGW-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001725656825 1426339167 /nfs/dbraw/zinc/33/91/67/1426339167.db2.gz MFWDLPLVVKGWTJ-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001725657153 1426339918 /nfs/dbraw/zinc/33/99/18/1426339918.db2.gz UGXPEZCWHXSBIP-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001725669527 1426353676 /nfs/dbraw/zinc/35/36/76/1426353676.db2.gz XTDHAWHEPHDNSW-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C ZINC001725753326 1426432265 /nfs/dbraw/zinc/43/22/65/1426432265.db2.gz DDAFZMNLDBFQQF-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731560327 1427595605 /nfs/dbraw/zinc/59/56/05/1427595605.db2.gz VOZCQXGCYMDYGS-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731561063 1427597675 /nfs/dbraw/zinc/59/76/75/1427597675.db2.gz YQIUERUHXQHYBQ-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)CCC1 ZINC001731568842 1427608513 /nfs/dbraw/zinc/60/85/13/1427608513.db2.gz FEAZHXGPJCOFJK-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719463 1427785819 /nfs/dbraw/zinc/78/58/19/1427785819.db2.gz GVZNFHCNGFLVDV-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001731728996 1427803737 /nfs/dbraw/zinc/80/37/37/1427803737.db2.gz FAJGSYGVODAIDS-FXAWDEMLSA-N 2 0 345.531 3.279 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001731782161 1427906150 /nfs/dbraw/zinc/90/61/50/1427906150.db2.gz FNSNUGGAZKIRGJ-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCCCC2)CCC1 ZINC001731829540 1428036417 /nfs/dbraw/zinc/03/64/17/1428036417.db2.gz QUWZTBNKBGERGP-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001733670567 1429864691 /nfs/dbraw/zinc/86/46/91/1429864691.db2.gz LWFIFIZFHRWONY-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001733711053 1429927047 /nfs/dbraw/zinc/92/70/47/1429927047.db2.gz JZDJJWKUGPAAFD-AZUAARDMSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@@H](C(=O)N1CCC(CC)([NH2+]Cc2ccccc2C)CC1)[NH+](C)C ZINC001733805495 1430075635 /nfs/dbraw/zinc/07/56/35/1430075635.db2.gz RFSCFTHQALQYBP-IBGZPJMESA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001733939433 1437755378 /nfs/dbraw/zinc/75/53/78/1437755378.db2.gz BGWZKEIJHFJKKZ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001734322526 1438049508 /nfs/dbraw/zinc/04/95/08/1438049508.db2.gz IEUXTFRWTMIJGG-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C)cc1 ZINC001734405502 1438084452 /nfs/dbraw/zinc/08/44/52/1438084452.db2.gz PMNNMXPJGFBIRU-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC1=CCCCC1 ZINC001752229535 1440158008 /nfs/dbraw/zinc/15/80/08/1440158008.db2.gz LTOWJQIHHCOQSV-ROUUACIJSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCCCC1)CC2 ZINC001752423557 1440176393 /nfs/dbraw/zinc/17/63/93/1440176393.db2.gz IBGQYMWLOWGKJF-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001752470544 1440184279 /nfs/dbraw/zinc/18/42/79/1440184279.db2.gz HCBCIRHNGGJXEK-RBUKOAKNSA-N 2 0 349.563 3.027 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)CC(C)(C)C ZINC001752483734 1440186059 /nfs/dbraw/zinc/18/60/59/1440186059.db2.gz AASWZEAKDQIYCB-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001752634429 1440197292 /nfs/dbraw/zinc/19/72/92/1440197292.db2.gz KKQRGDAGNDEDLX-BZSNNMDCSA-N 2 0 343.515 3.086 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC(C)C ZINC001752702769 1440201737 /nfs/dbraw/zinc/20/17/37/1440201737.db2.gz NDABTJHOPWWMFJ-QBUWPKIASA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001752813169 1440217024 /nfs/dbraw/zinc/21/70/24/1440217024.db2.gz XUXUNCAJFXBSAA-UYAOXDASSA-N 2 0 343.515 3.062 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752825210 1440223224 /nfs/dbraw/zinc/22/32/24/1440223224.db2.gz NHQNHKOTLOVNSQ-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1F ZINC001752825626 1440223652 /nfs/dbraw/zinc/22/36/52/1440223652.db2.gz XKRIWGAHVNJQMC-SFHVURJKSA-N 2 0 349.494 3.028 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752831129 1440225273 /nfs/dbraw/zinc/22/52/73/1440225273.db2.gz AQHIYGTZVCNZSD-MOPGFXCFSA-N 2 0 337.552 3.364 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001752839139 1440229229 /nfs/dbraw/zinc/22/92/29/1440229229.db2.gz BRKBTQTXMXGYIM-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1=CCCCC1 ZINC001752873122 1440237395 /nfs/dbraw/zinc/23/73/95/1440237395.db2.gz OYBRNHNTJWHOLM-MJGOQNOKSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001752891697 1440241059 /nfs/dbraw/zinc/24/10/59/1440241059.db2.gz PCEHFTDAQJJXCF-IRXDYDNUSA-N 2 0 331.504 3.025 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001752891698 1440241072 /nfs/dbraw/zinc/24/10/72/1440241072.db2.gz PCEHFTDAQJJXCF-SJORKVTESA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001752910436 1440245229 /nfs/dbraw/zinc/24/52/29/1440245229.db2.gz SEXSJZFZUCYBQP-JKSUJKDBSA-N 2 0 349.494 3.101 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001752973228 1440255530 /nfs/dbraw/zinc/25/55/30/1440255530.db2.gz GHKYTEZMQYNTFN-OALUTQOASA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2=CCCCC2)CC[N@@H+]1C ZINC001753028352 1440272051 /nfs/dbraw/zinc/27/20/51/1440272051.db2.gz ZUOWMOBKQPZUGL-YZGWKJHDSA-N 2 0 347.547 3.188 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001753033121 1440273691 /nfs/dbraw/zinc/27/36/91/1440273691.db2.gz FISMVQUJZAOFHC-HMECNJMJSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001753061727 1440283571 /nfs/dbraw/zinc/28/35/71/1440283571.db2.gz MXCREKMEQPLZHS-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CCC1CCCCC1)C1CC1 ZINC001753164747 1440335810 /nfs/dbraw/zinc/33/58/10/1440335810.db2.gz FOEVFEUUWDZVOV-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CCCCCC1 ZINC001753295600 1440352052 /nfs/dbraw/zinc/35/20/52/1440352052.db2.gz XVRARLAXUJMOSN-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001753336688 1440372816 /nfs/dbraw/zinc/37/28/16/1440372816.db2.gz YPZAMESLVSQRGL-IBGZPJMESA-N 2 0 347.547 3.047 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753340396 1440374998 /nfs/dbraw/zinc/37/49/98/1440374998.db2.gz ATCAXNAEEIHUDR-HXUWFJFHSA-N 2 0 347.547 3.191 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753354345 1440379340 /nfs/dbraw/zinc/37/93/40/1440379340.db2.gz DRCHPFGXUUUWIP-PCUMXMLJSA-N 2 0 349.563 3.243 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753359545 1440382142 /nfs/dbraw/zinc/38/21/42/1440382142.db2.gz JPXZZLLXDINRFC-RURPWVQCSA-N 2 0 349.563 3.243 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001753368095 1440386547 /nfs/dbraw/zinc/38/65/47/1440386547.db2.gz YILLPODVZSVFOW-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001753458756 1440409434 /nfs/dbraw/zinc/40/94/34/1440409434.db2.gz KBEIZIUKLLVIML-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CCCC(C)C ZINC001753478134 1440415838 /nfs/dbraw/zinc/41/58/38/1440415838.db2.gz RKWWQCDIOGZHBZ-INIZCTEOSA-N 2 0 330.476 3.177 20 0 EGADRP CC(C)CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001753523338 1440428978 /nfs/dbraw/zinc/42/89/78/1440428978.db2.gz HSWYUGMWMCFEDY-ABSDTBQOSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H]1CCCC[C@]1(C[NH2+]CCCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001753535742 1440432517 /nfs/dbraw/zinc/43/25/17/1440432517.db2.gz LRYBXCGDZFHRSN-FXAWDEMLSA-N 2 0 339.568 3.419 20 0 EGADRP CCCCCC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001753536612 1440432702 /nfs/dbraw/zinc/43/27/02/1440432702.db2.gz WPDJPEPWPFYHOU-RXVVDRJESA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001753550430 1440434945 /nfs/dbraw/zinc/43/49/45/1440434945.db2.gz QWSNGRNIPLYYOT-IBGZPJMESA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(CC[NH2+]CCC3CC3)CC2)C1 ZINC001753577336 1440439544 /nfs/dbraw/zinc/43/95/44/1440439544.db2.gz ZGBMHBPZNWXWRQ-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CC3CCCC3)C2)CC1 ZINC001753603351 1440447279 /nfs/dbraw/zinc/44/72/79/1440447279.db2.gz WDUZKWXEFGRJLY-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001753605040 1440447801 /nfs/dbraw/zinc/44/78/01/1440447801.db2.gz VPBGSOHVHCUSMD-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001753673994 1440462950 /nfs/dbraw/zinc/46/29/50/1440462950.db2.gz ICLRXMXAJXHULO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001753695591 1440467417 /nfs/dbraw/zinc/46/74/17/1440467417.db2.gz SURIIWRJYZDITE-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753708476 1440470031 /nfs/dbraw/zinc/47/00/31/1440470031.db2.gz GXWWRXKMODQBRS-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001753729807 1440475459 /nfs/dbraw/zinc/47/54/59/1440475459.db2.gz RPDZDLRBVIJISW-OAHLLOKOSA-N 2 0 345.512 3.060 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CC(C)C1)C1CCCCC1 ZINC001753749836 1440482278 /nfs/dbraw/zinc/48/22/78/1440482278.db2.gz RFHRLXCMLJISMK-FAFZWHIHSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1C ZINC001753787300 1440488380 /nfs/dbraw/zinc/48/83/80/1440488380.db2.gz DDMOAACYBNCTMA-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C\c1ccccc1 ZINC001753796524 1440489971 /nfs/dbraw/zinc/48/99/71/1440489971.db2.gz KEYBTQYEHQGABJ-NHHWLVAYSA-N 2 0 343.515 3.012 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001753812540 1440493081 /nfs/dbraw/zinc/49/30/81/1440493081.db2.gz QOLSSUIGTAXHCG-OBNUAKFSSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001753878144 1440520013 /nfs/dbraw/zinc/52/00/13/1440520013.db2.gz NXPIQTGCCRMUTG-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1C ZINC001754004902 1440530559 /nfs/dbraw/zinc/53/05/59/1440530559.db2.gz LGAWOVXJNYBDEX-SFHVURJKSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1 ZINC001754007380 1440530963 /nfs/dbraw/zinc/53/09/63/1440530963.db2.gz LQPWRQILPBFXRW-IEBWSBKVSA-N 2 0 335.536 3.234 20 0 EGADRP CCN(CC[NH2+]CCCC1CCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001754052349 1440535818 /nfs/dbraw/zinc/53/58/18/1440535818.db2.gz ZEEMWRLAAKRKIO-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001754278228 1440562678 /nfs/dbraw/zinc/56/26/78/1440562678.db2.gz QLWFSNPUEHREME-DLBZAZTESA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC1=CCCCC1 ZINC001754314060 1440574625 /nfs/dbraw/zinc/57/46/25/1440574625.db2.gz JRQRNFNFAZJIIO-IEBWSBKVSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001754374280 1440592824 /nfs/dbraw/zinc/59/28/24/1440592824.db2.gz YXZMFKXEOIDOAP-AZUAARDMSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC001754490927 1440610161 /nfs/dbraw/zinc/61/01/61/1440610161.db2.gz YRNJVEFCDDUOIY-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001754534774 1440623780 /nfs/dbraw/zinc/62/37/80/1440623780.db2.gz BAXPPRHNVKCGAT-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001754539757 1440625833 /nfs/dbraw/zinc/62/58/33/1440625833.db2.gz VANMJIYDCSQHAP-RLWBPELLSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001754557701 1440632290 /nfs/dbraw/zinc/63/22/90/1440632290.db2.gz LIYFJQRTDLDIJI-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001754604875 1440643017 /nfs/dbraw/zinc/64/30/17/1440643017.db2.gz SHFNNYYHXSTOBE-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C2CCCC2)C1 ZINC001754656897 1440653809 /nfs/dbraw/zinc/65/38/09/1440653809.db2.gz WRGRFKUJNIJVOO-UXHICEINSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)C ZINC001754661077 1440654898 /nfs/dbraw/zinc/65/48/98/1440654898.db2.gz WAHSDYBZLVUHCZ-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001754682796 1440663334 /nfs/dbraw/zinc/66/33/34/1440663334.db2.gz FHNVSFVNSYCLOZ-OXJNMPFZSA-N 2 0 349.494 3.199 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730792 1440679135 /nfs/dbraw/zinc/67/91/35/1440679135.db2.gz YXXVWMYYBGWLFW-NGXITPROSA-N 2 0 349.563 3.293 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1=CCCCC1)C2 ZINC001754782821 1440686719 /nfs/dbraw/zinc/68/67/19/1440686719.db2.gz HLVHVLVKQYVRQI-ZCNNSNEGSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[NH+]1CCCCCC1 ZINC001754830979 1440695144 /nfs/dbraw/zinc/69/51/44/1440695144.db2.gz KLIOVZXTQULVJJ-FFGOWVMKSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001754837658 1440697124 /nfs/dbraw/zinc/69/71/24/1440697124.db2.gz QHJIPEKBVBNIIH-FQEVSTJZSA-N 2 0 343.515 3.055 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001754945014 1440712529 /nfs/dbraw/zinc/71/25/29/1440712529.db2.gz PKQLTRDHPLGWQZ-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001754980369 1440721114 /nfs/dbraw/zinc/72/11/14/1440721114.db2.gz AAPVQOQYWZONLH-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCC1 ZINC001754982483 1440721651 /nfs/dbraw/zinc/72/16/51/1440721651.db2.gz BYAHKVWXWPCWAP-UHFFFAOYSA-N 2 0 335.517 3.018 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001755078101 1440749912 /nfs/dbraw/zinc/74/99/12/1440749912.db2.gz IQQSAISYTOZCRR-FQEVSTJZSA-N 2 0 347.547 3.120 20 0 EGADRP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001755135570 1440757994 /nfs/dbraw/zinc/75/79/94/1440757994.db2.gz VDFAUYZWJPNENY-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC1(C)C)C1CCC1 ZINC001755137708 1440758992 /nfs/dbraw/zinc/75/89/92/1440758992.db2.gz CMPRBOPXDGPWMH-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001755161832 1440765028 /nfs/dbraw/zinc/76/50/28/1440765028.db2.gz NDXYWWFWAKXQLE-QZTJIDSGSA-N 2 0 335.536 3.164 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C)[NH+](CC)CC ZINC001755198804 1440778379 /nfs/dbraw/zinc/77/83/79/1440778379.db2.gz HRLNKTHADZVLJB-ROUUACIJSA-N 2 0 339.568 3.466 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755242082 1440789709 /nfs/dbraw/zinc/78/97/09/1440789709.db2.gz KTQQIJVQLWILJL-XLBHYRNJSA-N 2 0 342.487 3.486 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755276145 1440799096 /nfs/dbraw/zinc/79/90/96/1440799096.db2.gz UUPDXWKRGVULIO-IVMQYODDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]CC1=CCCCC1 ZINC001755287218 1440802464 /nfs/dbraw/zinc/80/24/64/1440802464.db2.gz RZAWWZYXCGPSMM-QZTJIDSGSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001755379971 1440839136 /nfs/dbraw/zinc/83/91/36/1440839136.db2.gz WRHCVDPLXHAJLY-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001755411311 1440846666 /nfs/dbraw/zinc/84/66/66/1440846666.db2.gz BNDLRZIHNVCJKI-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755413230 1440847218 /nfs/dbraw/zinc/84/72/18/1440847218.db2.gz VMWKNUGTCPPGCR-PXEQJPNCSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001755413211 1440847399 /nfs/dbraw/zinc/84/73/99/1440847399.db2.gz VGUXTLGCWVFQCX-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755458455 1440856570 /nfs/dbraw/zinc/85/65/70/1440856570.db2.gz HGLXVPNPGIGLDJ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001755480929 1440860132 /nfs/dbraw/zinc/86/01/32/1440860132.db2.gz ROMKBACYSDIPSM-DSBJASEKSA-N 2 0 347.547 3.234 20 0 EGADRP C[C@H](CCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755507643 1440863149 /nfs/dbraw/zinc/86/31/49/1440863149.db2.gz UFUILNMMLVFCLQ-QSTIEPAZSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755513726 1440863850 /nfs/dbraw/zinc/86/38/50/1440863850.db2.gz UCVCGEVXGOMJJB-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755519631 1440864895 /nfs/dbraw/zinc/86/48/95/1440864895.db2.gz BHRQAPBQPUZDDQ-RBUKOAKNSA-N 2 0 345.531 3.020 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001755536574 1440869826 /nfs/dbraw/zinc/86/98/26/1440869826.db2.gz YWDGISWHBDWMMN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001755663296 1440893119 /nfs/dbraw/zinc/89/31/19/1440893119.db2.gz JSIGGDQORBDYTD-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755685931 1440895944 /nfs/dbraw/zinc/89/59/44/1440895944.db2.gz CWWWTLZRIJVCCA-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001755699515 1440899262 /nfs/dbraw/zinc/89/92/62/1440899262.db2.gz BYWJXQMBVCBBFU-BJLQDIEVSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001755717840 1440905782 /nfs/dbraw/zinc/90/57/82/1440905782.db2.gz JPIZYCPILHQGDS-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)[C@H]1C ZINC001755722255 1440907920 /nfs/dbraw/zinc/90/79/20/1440907920.db2.gz HEUMSDAVQLYRJT-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001755746029 1440912567 /nfs/dbraw/zinc/91/25/67/1440912567.db2.gz KQGFABDHPHZKFF-MJGOQNOKSA-N 2 0 337.552 3.027 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001755766545 1440916366 /nfs/dbraw/zinc/91/63/66/1440916366.db2.gz MHNXGXHNGCJPKO-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001755826002 1440927287 /nfs/dbraw/zinc/92/72/87/1440927287.db2.gz YTUSOOVVTHOGFM-IAGOWNOFSA-N 2 0 339.568 3.273 20 0 EGADRP CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001755827516 1440927746 /nfs/dbraw/zinc/92/77/46/1440927746.db2.gz NGRGNPFZHIZJRF-MRXNPFEDSA-N 2 0 325.541 3.170 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001755834014 1440929618 /nfs/dbraw/zinc/92/96/18/1440929618.db2.gz UQAFXSVKPTUPHX-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001755837099 1440930565 /nfs/dbraw/zinc/93/05/65/1440930565.db2.gz IXFNMCDYTLVFFV-HKUYNNGSSA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@@H]([NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001755857728 1440936047 /nfs/dbraw/zinc/93/60/47/1440936047.db2.gz ZOHVZUWMBKEBAM-CTWPCTMYSA-N 2 0 343.515 3.201 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001755894401 1440942348 /nfs/dbraw/zinc/94/23/48/1440942348.db2.gz RIBRHSVBRPKZSN-ZWKOTPCHSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H](C(=O)NCC1=CC[N@H+](CCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC001755894200 1440942352 /nfs/dbraw/zinc/94/23/52/1440942352.db2.gz PAFYOIVGQKEOPI-SFHVURJKSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001755894978 1440942519 /nfs/dbraw/zinc/94/25/19/1440942519.db2.gz RKXWBLUNMVIFGZ-FPLPWBNLSA-N 2 0 335.536 3.069 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824584773 946831171 /nfs/dbraw/zinc/83/11/71/946831171.db2.gz HAPFTPWIMHLASH-HOTGVXAUSA-N 2 0 342.491 3.172 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccc(CO)o1 ZINC000174272129 231163136 /nfs/dbraw/zinc/16/31/36/231163136.db2.gz SAUMXXOBWJFKFL-MRXNPFEDSA-N 2 0 328.456 3.436 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cc(F)ccc1F ZINC000154472524 529596523 /nfs/dbraw/zinc/59/65/23/529596523.db2.gz VEEGQACMKRTZCZ-IBGZPJMESA-N 2 0 339.474 3.423 20 0 EGADRP CN(c1ccccc1C[NH2+][C@@H]1CCCSC1)C1CC[NH+](C)CC1 ZINC000151077371 530037180 /nfs/dbraw/zinc/03/71/80/530037180.db2.gz OHXHMVZQJHUGJN-QGZVFWFLSA-N 2 0 333.545 3.202 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178118905 232088550 /nfs/dbraw/zinc/08/85/50/232088550.db2.gz OMMCEXLJJLNFGR-KRWDZBQOSA-N 2 0 329.488 3.341 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1O ZINC000178408967 232158003 /nfs/dbraw/zinc/15/80/03/232158003.db2.gz NLUBCJYBMCHKPP-OAHLLOKOSA-N 2 0 344.455 3.192 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(C)ccc1OC ZINC000371450469 168609799 /nfs/dbraw/zinc/60/97/99/168609799.db2.gz ZKIUVJYPYLVBGA-XLIONFOSSA-N 2 0 345.531 3.213 20 0 EGADRP c1ccc2c(c1)C=C(C[NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000180275843 233814153 /nfs/dbraw/zinc/81/41/53/233814153.db2.gz PRZBGGQMAUGDTM-UHFFFAOYSA-N 2 0 335.451 3.364 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3ccccc23)C1 ZINC000181142247 234095256 /nfs/dbraw/zinc/09/52/56/234095256.db2.gz YGOPYHMXZNPWDI-SFHVURJKSA-N 2 0 333.435 3.414 20 0 EGADRP C[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000073122939 216351506 /nfs/dbraw/zinc/35/15/06/216351506.db2.gz VGWMCAIVOOEXGJ-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1Cn1cccn1 ZINC000132163909 223307059 /nfs/dbraw/zinc/30/70/59/223307059.db2.gz COJWFQMAWMVTJO-MRXNPFEDSA-N 2 0 344.503 3.178 20 0 EGADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193951624 240375922 /nfs/dbraw/zinc/37/59/22/240375922.db2.gz BNGANRLYTJCITM-VAMGGRTRSA-N 2 0 326.484 3.330 20 0 EGADRP C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)CC1CCOCC1 ZINC000337179426 241603193 /nfs/dbraw/zinc/60/31/93/241603193.db2.gz LLOOENAUAYIXJZ-UHFFFAOYSA-N 2 0 338.536 3.160 20 0 EGADRP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000262538174 245024243 /nfs/dbraw/zinc/02/42/43/245024243.db2.gz QQRBTAGEPKXZMI-ZDUSSCGKSA-N 2 0 331.803 3.009 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262680020 245114706 /nfs/dbraw/zinc/11/47/06/245114706.db2.gz WHIHPTXPCJCGKT-HQRMLTQVSA-N 2 0 331.504 3.015 20 0 EGADRP O=C(CCC1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000263144021 245342280 /nfs/dbraw/zinc/34/22/80/245342280.db2.gz CNWXYWXAPHDINH-UHFFFAOYSA-N 2 0 343.515 3.433 20 0 EGADRP CCC[N@H+](Cc1ccc(OC)c(Br)c1)C1CC[NH2+]CC1 ZINC000049597515 214021846 /nfs/dbraw/zinc/02/18/46/214021846.db2.gz NVYWRPGKYFQGBM-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000264386399 246436095 /nfs/dbraw/zinc/43/60/95/246436095.db2.gz QMRRKTRQVPWRFH-INIZCTEOSA-N 2 0 328.456 3.053 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377631847 169051438 /nfs/dbraw/zinc/05/14/38/169051438.db2.gz RRSBHEHUPQVXSN-DYESRHJHSA-N 2 0 347.522 3.247 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1)C(C)C ZINC000378402969 169114845 /nfs/dbraw/zinc/11/48/45/169114845.db2.gz MLRLVMWXDHZSLW-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cc(C)ccc1OC ZINC000093397609 218220499 /nfs/dbraw/zinc/22/04/99/218220499.db2.gz DCWRJVRQOOBEJJ-FQEVSTJZSA-N 2 0 347.547 3.462 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1sccc1C[NH+](C)C)CC(C)C ZINC000268117000 251628648 /nfs/dbraw/zinc/62/86/48/251628648.db2.gz NDXXMDSCCFIFSJ-MRXNPFEDSA-N 2 0 339.549 3.296 20 0 EGADRP CCn1cc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](CC)CC)cn1 ZINC000268802203 252255111 /nfs/dbraw/zinc/25/51/11/252255111.db2.gz ZCWZKUGYXYQAOY-QGZVFWFLSA-N 2 0 344.503 3.474 20 0 EGADRP Brc1cccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246084633 532968659 /nfs/dbraw/zinc/96/86/59/532968659.db2.gz ZDNMXYXVBBIIKN-GJZGRUSLSA-N 2 0 339.277 3.044 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000345913900 285099056 /nfs/dbraw/zinc/09/90/56/285099056.db2.gz VTZOFZTXDJUION-SFHVURJKSA-N 2 0 345.531 3.361 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1 ZINC000112542231 220344877 /nfs/dbraw/zinc/34/48/77/220344877.db2.gz PMTNKYHZHZPSAG-FQEVSTJZSA-N 2 0 339.483 3.219 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000269120720 255531863 /nfs/dbraw/zinc/53/18/63/255531863.db2.gz XMIBTRUHICPMDE-HOCLYGCPSA-N 2 0 340.533 3.425 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000347974658 141226958 /nfs/dbraw/zinc/22/69/58/141226958.db2.gz UZURVCVXSNYQMP-NRFANRHFSA-N 2 0 326.484 3.017 20 0 EGADRP CCCn1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350561664 141253660 /nfs/dbraw/zinc/25/36/60/141253660.db2.gz YHLHETCMOMUYOB-RTWAWAEBSA-N 2 0 340.515 3.465 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2c1OCO2 ZINC000353437808 141295643 /nfs/dbraw/zinc/29/56/43/141295643.db2.gz DXDKVDQFOWDVGS-UHFFFAOYSA-N 2 0 326.440 3.499 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356299028 141338416 /nfs/dbraw/zinc/33/84/16/141338416.db2.gz JRPYZRAAXVMSJC-UHFFFAOYSA-N 2 0 327.350 3.438 20 0 EGADRP CCc1cccnc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000356839510 141351996 /nfs/dbraw/zinc/35/19/96/141351996.db2.gz DUUGGLDZVBRSSH-QAPCUYQASA-N 2 0 339.487 3.352 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359592614 141381211 /nfs/dbraw/zinc/38/12/11/141381211.db2.gz NZZLYGDFALFPOE-QUCCMNQESA-N 3 0 344.547 3.146 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000365457512 304319278 /nfs/dbraw/zinc/31/92/78/304319278.db2.gz CMIQNIMDVFJIBX-QUCCMNQESA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178409885 144070941 /nfs/dbraw/zinc/07/09/41/144070941.db2.gz QMZZFEPNIRHQFN-GOSISDBHSA-N 3 0 333.520 3.154 20 0 EGADRP CCOC(=O)CCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184744166 144098783 /nfs/dbraw/zinc/09/87/83/144098783.db2.gz LRPMZUDNLSMKPM-IRXDYDNUSA-N 2 0 332.488 3.076 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344621580 144200585 /nfs/dbraw/zinc/20/05/85/144200585.db2.gz GHEBXGMYPWVGOF-DYVFJYSZSA-N 2 0 332.879 3.406 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1 ZINC000344791062 144224824 /nfs/dbraw/zinc/22/48/24/144224824.db2.gz QFJDODAKNYFHDU-UHFFFAOYSA-N 2 0 333.520 3.331 20 0 EGADRP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000344873408 144234833 /nfs/dbraw/zinc/23/48/33/144234833.db2.gz NUBNAZFNMUAALF-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCSCC2)[C@H](C)C1 ZINC000250079207 286064362 /nfs/dbraw/zinc/06/43/62/286064362.db2.gz OXNASVFSKLZPHF-NUJGCVRESA-N 2 0 328.566 3.245 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000115628596 152023216 /nfs/dbraw/zinc/02/32/16/152023216.db2.gz VIBQFZRPCDNRIF-APWZRJJASA-N 2 0 329.488 3.395 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000341566744 155360490 /nfs/dbraw/zinc/36/04/90/155360490.db2.gz PJCQHWXPLAZBIR-BEFAXECRSA-N 2 0 336.439 3.064 20 0 EGADRP Cc1ccn2c(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cnc2c1 ZINC000192929132 153268824 /nfs/dbraw/zinc/26/88/24/153268824.db2.gz GRIVGSZJXOPCII-IBGZPJMESA-N 2 0 334.467 3.254 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000193058589 153274143 /nfs/dbraw/zinc/27/41/43/153274143.db2.gz QJVFXEGORNQYQB-CCNLRDMRSA-N 2 0 332.488 3.097 20 0 EGADRP CC(C)n1ncc2cc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cnc21 ZINC000236744112 153468641 /nfs/dbraw/zinc/46/86/41/153468641.db2.gz FYVDJILRIRXFAV-UHFFFAOYSA-N 2 0 329.492 3.411 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000305063184 154081174 /nfs/dbraw/zinc/08/11/74/154081174.db2.gz HHNCJQLKMDLWAZ-UIAACRFSSA-N 2 0 334.479 3.492 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310097544 154138566 /nfs/dbraw/zinc/13/85/66/154138566.db2.gz AGWFLFYAZXMKCP-LPHOPBHVSA-N 2 0 325.456 3.090 20 0 EGADRP COc1ccc2ccccc2c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000325208232 154178315 /nfs/dbraw/zinc/17/83/15/154178315.db2.gz FZABVCCEKPFDJV-UHFFFAOYSA-N 2 0 328.456 3.178 20 0 EGADRP COC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000336667917 154208942 /nfs/dbraw/zinc/20/89/42/154208942.db2.gz ACXCCXAHNFLXOE-BEQLGVGBSA-N 2 0 328.500 3.444 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000337377834 154319137 /nfs/dbraw/zinc/31/91/37/154319137.db2.gz HLYZTPKWIQOSRW-QGZVFWFLSA-N 2 0 334.504 3.409 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000337461325 154364216 /nfs/dbraw/zinc/36/42/16/154364216.db2.gz KKGKEGSZCWFBKE-UHFFFAOYSA-N 2 0 341.902 3.327 20 0 EGADRP FC(F)(F)c1csc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000347003445 156240507 /nfs/dbraw/zinc/24/05/07/156240507.db2.gz LKTFJZLBROOQLH-VXGBXAGGSA-N 2 0 333.423 3.341 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347016746 156249577 /nfs/dbraw/zinc/24/95/77/156249577.db2.gz KBYIFKLLAANZFV-CZUORRHYSA-N 2 0 330.451 3.187 20 0 EGADRP Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455452 162233876 /nfs/dbraw/zinc/23/38/76/162233876.db2.gz GHQAAAVWBHZIRA-FQEVSTJZSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130684367 162375931 /nfs/dbraw/zinc/37/59/31/162375931.db2.gz VMVBLACQDGAQBW-QGZVFWFLSA-N 2 0 345.531 3.164 20 0 EGADRP COc1ccc(OCCC[N@@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)cc1 ZINC000337074976 163121786 /nfs/dbraw/zinc/12/17/86/163121786.db2.gz PSQBGSXEXNVUGJ-WIYYLYMNSA-N 2 0 340.467 3.138 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000338793768 163350684 /nfs/dbraw/zinc/35/06/84/163350684.db2.gz NXCJZNHLGCQMBZ-IZZQQSIFSA-N 2 0 331.504 3.229 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000343982829 164077291 /nfs/dbraw/zinc/07/72/91/164077291.db2.gz KZAMNYAORLCEHV-UHFFFAOYSA-N 2 0 331.504 3.471 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344164142 164117512 /nfs/dbraw/zinc/11/75/12/164117512.db2.gz IABYUHDIKCCNJH-OXQOHEQNSA-N 2 0 333.495 3.066 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@@H](C)C1 ZINC000344532577 164187537 /nfs/dbraw/zinc/18/75/37/164187537.db2.gz GBXKUJIHNYOZIC-LAUBAEHRSA-N 2 0 339.483 3.481 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@@H](C)C1 ZINC000344532586 164187820 /nfs/dbraw/zinc/18/78/20/164187820.db2.gz GBXKUJIHNYOZIC-UWJYYQICSA-N 2 0 339.483 3.481 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000345937812 164299687 /nfs/dbraw/zinc/29/96/87/164299687.db2.gz RSBCLSXYIGVKPJ-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346552817 164395609 /nfs/dbraw/zinc/39/56/09/164395609.db2.gz JEUQXTVNUJIDBC-UYAOXDASSA-N 2 0 345.462 3.257 20 0 EGADRP CC[C@@H]1C[C@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350263737 165023603 /nfs/dbraw/zinc/02/36/03/165023603.db2.gz JUUUMNSIOORRJE-UYAOXDASSA-N 2 0 331.504 3.435 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000352045441 165208248 /nfs/dbraw/zinc/20/82/48/165208248.db2.gz PSENBVLHJAZZTN-GJGATLCTSA-N 2 0 331.504 3.055 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352145586 165258800 /nfs/dbraw/zinc/25/88/00/165258800.db2.gz BBMWTCDWHBLZAM-KURKYZTESA-N 2 0 325.541 3.027 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(F)c3cccnc23)CC[NH+](C)CC1 ZINC000353191916 165667349 /nfs/dbraw/zinc/66/73/49/165667349.db2.gz LCVQQRIDAFVFQM-UHFFFAOYSA-N 2 0 333.476 3.291 20 0 EGADRP CCOc1c(OC)cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000353498669 165782714 /nfs/dbraw/zinc/78/27/14/165782714.db2.gz SBMLMYAIGJSAPX-UHFFFAOYSA-N 2 0 336.476 3.065 20 0 EGADRP Cc1nn2c(C[NH2+]CC3(C)CC[NH+](C)CC3)c(C(C)C)nc2s1 ZINC000355764958 166301192 /nfs/dbraw/zinc/30/11/92/166301192.db2.gz IKBFABLWWKDZQW-UHFFFAOYSA-N 2 0 335.521 3.044 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357045689 166570910 /nfs/dbraw/zinc/57/09/10/166570910.db2.gz IAIPGMLNMXPHOI-QGZVFWFLSA-N 2 0 331.479 3.247 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000359249060 167106428 /nfs/dbraw/zinc/10/64/28/167106428.db2.gz UZOIYKMGOZUQEJ-RTBURBONSA-N 2 0 343.446 3.028 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000359549502 167189737 /nfs/dbraw/zinc/18/97/37/167189737.db2.gz WOLMGXOIJPPBRH-YJBOKZPZSA-N 2 0 343.471 3.200 20 0 EGADRP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000360587947 167364467 /nfs/dbraw/zinc/36/44/67/167364467.db2.gz FXERJOXERPRTHP-FXAWDEMLSA-N 2 0 334.504 3.058 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C)C3)cc2)CC1 ZINC000360720168 167395946 /nfs/dbraw/zinc/39/59/46/167395946.db2.gz XOVWLMHFMBMOIJ-WIYYLYMNSA-N 2 0 329.532 3.492 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000360720236 167396627 /nfs/dbraw/zinc/39/66/27/167396627.db2.gz XZXIECSSQIHKPD-GHTZIAJQSA-N 2 0 329.532 3.492 20 0 EGADRP CCOc1cc2[nH+]ccc(N3C[C@H]4C[NH+](C)C[C@@H]4C3)c2cc1OCC ZINC000362672820 167820053 /nfs/dbraw/zinc/82/00/53/167820053.db2.gz VUMBKWNBQMBKAC-HUUCEWRRSA-N 2 0 341.455 3.030 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)c2ccccc2C1 ZINC000365800927 168045117 /nfs/dbraw/zinc/04/51/17/168045117.db2.gz ZOCWGDUNEDFAPY-CTNGQTDRSA-N 2 0 341.499 3.086 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)CC1 ZINC000366868558 168150637 /nfs/dbraw/zinc/15/06/37/168150637.db2.gz YPCCPFLDHYXWQM-UHFFFAOYSA-N 2 0 326.444 3.044 20 0 EGADRP CCOC1CC(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000368089336 168309276 /nfs/dbraw/zinc/30/92/76/168309276.db2.gz LEIAPHLYMFBSPJ-JWFWCLOMSA-N 2 0 328.500 3.255 20 0 EGADRP c1ccc(OCCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173958621 265013757 /nfs/dbraw/zinc/01/37/57/265013757.db2.gz SELJLXDRWNZAFF-UHFFFAOYSA-N 2 0 332.488 3.032 20 0 EGADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCCC1 ZINC000175315579 265108248 /nfs/dbraw/zinc/10/82/48/265108248.db2.gz VUXBGBWPSWFJBL-SFHVURJKSA-N 2 0 343.515 3.163 20 0 EGADRP CCOc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000179172456 265364953 /nfs/dbraw/zinc/36/49/53/265364953.db2.gz YFTNKZBKDDSFOE-DYESRHJHSA-N 2 0 344.499 3.413 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180118534 265395600 /nfs/dbraw/zinc/39/56/00/265395600.db2.gz BAHVWIFAYQPIRD-LJQANCHMSA-N 2 0 337.511 3.392 20 0 EGADRP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[NH+](C)C ZINC000223973152 266198412 /nfs/dbraw/zinc/19/84/12/266198412.db2.gz GPCVVHFFNZXSSX-JKSUJKDBSA-N 2 0 327.513 3.096 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236709747 266211571 /nfs/dbraw/zinc/21/15/71/266211571.db2.gz QBGDDTVMPHQNTG-OALUTQOASA-N 2 0 337.552 3.255 20 0 EGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000237882226 266248472 /nfs/dbraw/zinc/24/84/72/266248472.db2.gz HIQSFRHBQRXHBS-YQQQUEKLSA-N 2 0 347.547 3.212 20 0 EGADRP Cc1ccncc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000269650998 266333447 /nfs/dbraw/zinc/33/34/47/266333447.db2.gz VGHMSEYYNHLVOS-QZTJIDSGSA-N 2 0 331.504 3.101 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Br)ncc1F ZINC000273843104 267122262 /nfs/dbraw/zinc/12/22/62/267122262.db2.gz IIAJQKLPONODTR-LLVKDONJSA-N 2 0 344.272 3.366 20 0 EGADRP Cc1nccn1CCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000274128111 267185854 /nfs/dbraw/zinc/18/58/54/267185854.db2.gz XZFGQTSWZKNZRN-ROUUACIJSA-N 2 0 340.515 3.328 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000274666101 267269843 /nfs/dbraw/zinc/26/98/43/267269843.db2.gz HYDCIDMFEFDGBQ-OAHLLOKOSA-N 2 0 335.492 3.122 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000274678100 267271084 /nfs/dbraw/zinc/27/10/84/267271084.db2.gz ZWNFUVAQOZNEII-QGZVFWFLSA-N 2 0 345.531 3.182 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc3nccn32)CCN1C(=O)OC(C)(C)C ZINC000278527088 268032389 /nfs/dbraw/zinc/03/23/89/268032389.db2.gz UFEQYOGZINHAEI-HUUCEWRRSA-N 2 0 344.459 3.212 20 0 EGADRP C[C@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000092566973 275154609 /nfs/dbraw/zinc/15/46/09/275154609.db2.gz LNUBIILKIUGQKQ-FUHWJXTLSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000274612470 275247976 /nfs/dbraw/zinc/24/79/76/275247976.db2.gz UCVSYHTZWRCFCW-AWEZNQCLSA-N 2 0 335.879 3.202 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)c2ccccc21 ZINC000278852332 275280953 /nfs/dbraw/zinc/28/09/53/275280953.db2.gz VSBRRAMFSDGBMM-DUXKGJEZSA-N 2 0 329.532 3.487 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000279665813 275348103 /nfs/dbraw/zinc/34/81/03/275348103.db2.gz DXADUYXYMVTNJP-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000279736217 275354812 /nfs/dbraw/zinc/35/48/12/275354812.db2.gz ODSIRJVUEVFFSM-IZZBFERCSA-N 2 0 348.531 3.489 20 0 EGADRP CCCCOC[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000280043023 275395931 /nfs/dbraw/zinc/39/59/31/275395931.db2.gz OGAOHGHFRYHTRE-OAQYLSRUSA-N 2 0 348.531 3.008 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000281459168 275551267 /nfs/dbraw/zinc/55/12/67/275551267.db2.gz UCTNQQJZFITVFA-UHFFFAOYSA-N 2 0 330.476 3.003 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281529758 275556277 /nfs/dbraw/zinc/55/62/77/275556277.db2.gz IDNGGORMMCGFII-GUDVDZBRSA-N 2 0 333.520 3.363 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000283979807 275765363 /nfs/dbraw/zinc/76/53/63/275765363.db2.gz MQSWRTSQAWKOLA-UHFFFAOYSA-N 2 0 336.439 3.058 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000286990837 276067782 /nfs/dbraw/zinc/06/77/82/276067782.db2.gz JQBYRJNJYWVLSF-YYWHXJBOSA-N 2 0 347.547 3.396 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289148644 276297017 /nfs/dbraw/zinc/29/70/17/276297017.db2.gz GDTGYRHKEPTZMJ-OXJNMPFZSA-N 2 0 341.499 3.372 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc([C@H](C)O)s2)c1 ZINC000289219926 276306184 /nfs/dbraw/zinc/30/61/84/276306184.db2.gz JHCSNRDFJHREDR-AWEZNQCLSA-N 2 0 333.501 3.328 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000343436512 276327986 /nfs/dbraw/zinc/32/79/86/276327986.db2.gz BHYHFOQNECRCQV-MOPGFXCFSA-N 2 0 333.520 3.364 20 0 EGADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1cccc(Cl)c1 ZINC000289556605 276357348 /nfs/dbraw/zinc/35/73/48/276357348.db2.gz YCUFSQYNXMMRAK-KRWDZBQOSA-N 2 0 349.950 3.403 20 0 EGADRP CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182226232 277174558 /nfs/dbraw/zinc/17/45/58/277174558.db2.gz QEMLVPMHQPRABV-AEFFLSMTSA-N 2 0 336.520 3.447 20 0 EGADRP CSC1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC[NH+](C)CC1 ZINC000353621639 277508184 /nfs/dbraw/zinc/50/81/84/277508184.db2.gz KXLRVQKYLDLQML-INIZCTEOSA-N 2 0 336.549 3.448 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)c2ccccc2C1 ZINC000357852858 278055326 /nfs/dbraw/zinc/05/53/26/278055326.db2.gz PMWMOXMFDSYSKB-FQEVSTJZSA-N 2 0 343.515 3.192 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccccc2C1 ZINC000371881015 278055644 /nfs/dbraw/zinc/05/56/44/278055644.db2.gz CPVVHSBPVPTSSO-FQEVSTJZSA-N 2 0 343.515 3.192 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374058533 279044036 /nfs/dbraw/zinc/04/40/36/279044036.db2.gz TWUDSOSBECAIFF-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000078725457 280249354 /nfs/dbraw/zinc/24/93/54/280249354.db2.gz XKDNPXYHPZGOAJ-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCCCC1 ZINC000237519321 290393378 /nfs/dbraw/zinc/39/33/78/290393378.db2.gz UAWFOMFNZOJPJF-KRWDZBQOSA-N 2 0 343.515 3.339 20 0 EGADRP COc1ccc(C[N@H+](CC2CCC2)CC2CC[NH2+]CC2)c(OC)c1 ZINC000261640421 295126343 /nfs/dbraw/zinc/12/63/43/295126343.db2.gz AFJSXRSERJAVEB-UHFFFAOYSA-N 2 0 332.488 3.306 20 0 EGADRP COc1ccc(C[N@H+](CC2CCC2)C[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000262072666 295126366 /nfs/dbraw/zinc/12/63/66/295126366.db2.gz SEMYJZHOMTZDHM-HXUWFJFHSA-N 2 0 332.488 3.306 20 0 EGADRP C[C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000163623623 298303543 /nfs/dbraw/zinc/30/35/43/298303543.db2.gz SCKZFFKQGKLOSB-NVXWUHKLSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127515984 298785489 /nfs/dbraw/zinc/78/54/89/298785489.db2.gz VIYLNPNMIIQGJE-CZUORRHYSA-N 2 0 339.936 3.102 20 0 EGADRP CCc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091320447 307463138 /nfs/dbraw/zinc/46/31/38/307463138.db2.gz MQFVMJOKOIYWOC-NQIIRXRSSA-N 2 0 331.548 3.419 20 0 EGADRP CCOC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000127274230 307582300 /nfs/dbraw/zinc/58/23/00/307582300.db2.gz LFBCUGHSUGGFBM-JKSUJKDBSA-N 2 0 337.483 3.043 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000128231369 307596968 /nfs/dbraw/zinc/59/69/68/307596968.db2.gz QKNYYNKDUGHECM-HNNXBMFYSA-N 2 0 331.435 3.054 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)c1 ZINC000414084544 309060017 /nfs/dbraw/zinc/06/00/17/309060017.db2.gz FLIMNWIMDNIOLS-CWFSZBLJSA-N 2 0 332.488 3.032 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)c1 ZINC000414084538 309060077 /nfs/dbraw/zinc/06/00/77/309060077.db2.gz FLIMNWIMDNIOLS-BEVDRBHNSA-N 2 0 332.488 3.032 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414112291 309061440 /nfs/dbraw/zinc/06/14/40/309061440.db2.gz XTAPXSDSBMNUCB-JENIJYKNSA-N 2 0 326.488 3.371 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000414114170 309061641 /nfs/dbraw/zinc/06/16/41/309061641.db2.gz STQMPPRJAWECMY-JZXOWHBKSA-N 2 0 331.504 3.264 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H](O)C(C)C ZINC000414295322 309071186 /nfs/dbraw/zinc/07/11/86/309071186.db2.gz NPLDNQXXDFCZBV-YMQHIKHWSA-N 2 0 330.516 3.282 20 0 EGADRP CCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414321855 309072843 /nfs/dbraw/zinc/07/28/43/309072843.db2.gz FXCZHKCHVLFJRZ-MRXNPFEDSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248398019 308002062 /nfs/dbraw/zinc/00/20/62/308002062.db2.gz IOIZHIZSTWXCDS-XRXFAXGQSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248575695 308006173 /nfs/dbraw/zinc/00/61/73/308006173.db2.gz SYQWOZWHGTYIPU-DEPWHIHDSA-N 3 0 329.532 3.215 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CCC4OCCCO4)C3)CC2)cc1 ZINC000293382893 308125767 /nfs/dbraw/zinc/12/57/67/308125767.db2.gz PVPHYDGLASAKNR-UHFFFAOYSA-N 2 0 344.499 3.128 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C[NH+]1CCCC1 ZINC000293850121 308167861 /nfs/dbraw/zinc/16/78/61/308167861.db2.gz UDROXFJEXHIQQC-IRXDYDNUSA-N 2 0 345.487 3.416 20 0 EGADRP CC1(c2ccccc2)CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000294115426 308191442 /nfs/dbraw/zinc/19/14/42/308191442.db2.gz DEZDZEJKWCUUMF-INAZGPRKSA-N 2 0 342.527 3.464 20 0 EGADRP CC1(c2ccccc2)CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000294115434 308191615 /nfs/dbraw/zinc/19/16/15/308191615.db2.gz DEZDZEJKWCUUMF-UTZODRGISA-N 2 0 342.527 3.464 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000294937321 308273707 /nfs/dbraw/zinc/27/37/07/308273707.db2.gz JKDDTNRMCCJHAM-HNNXBMFYSA-N 2 0 338.879 3.290 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108031 308292120 /nfs/dbraw/zinc/29/21/20/308292120.db2.gz UYQVOCIWXOQYNV-HNNXBMFYSA-N 2 0 338.879 3.290 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CSC[C@@H]3C)CC2)cc1 ZINC000295189100 308300919 /nfs/dbraw/zinc/30/09/19/308300919.db2.gz NUJBAHRMZDSPCT-HNAYVOBHSA-N 2 0 334.529 3.248 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cs1 ZINC000295939332 308376762 /nfs/dbraw/zinc/37/67/62/308376762.db2.gz KUSVMOIVGUHTQU-OAHLLOKOSA-N 2 0 330.501 3.054 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC000414653749 309093638 /nfs/dbraw/zinc/09/36/38/309093638.db2.gz IGFJCCZTAPFYDI-DNVCBOLYSA-N 2 0 334.479 3.477 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OCc1ccccc1 ZINC000414654220 309093851 /nfs/dbraw/zinc/09/38/51/309093851.db2.gz BPFMTKIUXFKLNN-LPHOPBHVSA-N 2 0 340.467 3.443 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000414676337 309095105 /nfs/dbraw/zinc/09/51/05/309095105.db2.gz HHTNQWYVLNDGFN-KGLIPLIRSA-N 2 0 341.293 3.148 20 0 EGADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695459 309095770 /nfs/dbraw/zinc/09/57/70/309095770.db2.gz GMCAOLDBMWQMOX-PKOBYXMFSA-N 2 0 330.520 3.008 20 0 EGADRP COc1cccc(C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C2CCC(O)CC2)c1 ZINC000414746074 309098643 /nfs/dbraw/zinc/09/86/43/309098643.db2.gz LPLXTHIJIOWLKJ-FVPXHTFXSA-N 2 0 346.515 3.189 20 0 EGADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC[NH2+]1 ZINC000414749441 309098744 /nfs/dbraw/zinc/09/87/44/309098744.db2.gz PYUJTDTZJSOMBU-UONOGXRCSA-N 2 0 336.426 3.248 20 0 EGADRP Fc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776697 309100299 /nfs/dbraw/zinc/10/02/99/309100299.db2.gz HLFXLZKIESYOEK-QWHCGFSZSA-N 2 0 341.268 3.410 20 0 EGADRP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414779600 309100625 /nfs/dbraw/zinc/10/06/25/309100625.db2.gz KMXFLWLXCKJOJH-HZPDHXFCSA-N 2 0 342.405 3.449 20 0 EGADRP Brc1csc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414785264 309101202 /nfs/dbraw/zinc/10/12/02/309101202.db2.gz SGBLJZGYPKACRI-RYUDHWBXSA-N 2 0 329.307 3.332 20 0 EGADRP c1cc(N2CCC([NH2+]CCc3nc4c(s3)CCCC4)CC2)cc[nH+]1 ZINC000298402634 308610816 /nfs/dbraw/zinc/61/08/16/308610816.db2.gz LVPJEICVNVMELN-UHFFFAOYSA-N 2 0 342.512 3.218 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000414827135 309104159 /nfs/dbraw/zinc/10/41/59/309104159.db2.gz GQVAUBKOGORBPU-ZDUSSCGKSA-N 2 0 326.868 3.227 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000414837136 309104577 /nfs/dbraw/zinc/10/45/77/309104577.db2.gz KBEGWMWEGNXVOR-CQSZACIVSA-N 2 0 334.485 3.281 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000310254085 308763667 /nfs/dbraw/zinc/76/36/67/308763667.db2.gz KXJWNDFWNPKMOO-WBVHZDCISA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400324871 308907045 /nfs/dbraw/zinc/90/70/45/308907045.db2.gz BDBCJCOGTHPLSV-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411530807 308942919 /nfs/dbraw/zinc/94/29/19/308942919.db2.gz KGXOABQJDZCJHA-DLBZAZTESA-N 2 0 332.488 3.350 20 0 EGADRP CCOc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414851210 309105432 /nfs/dbraw/zinc/10/54/32/309105432.db2.gz NTUMFCBDTICEHH-CYBMUJFWSA-N 2 0 328.403 3.166 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@H]1CCC[NH2+]C1 ZINC000414866439 309106344 /nfs/dbraw/zinc/10/63/44/309106344.db2.gz MWPDKKXCSCEDDL-KRWDZBQOSA-N 2 0 332.879 3.043 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414881553 309106995 /nfs/dbraw/zinc/10/69/95/309106995.db2.gz KZXFRCKJDOGFSB-MRVPVSSYSA-N 2 0 336.071 3.039 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414914137 309108976 /nfs/dbraw/zinc/10/89/76/309108976.db2.gz XANRJJRBBGUISJ-UHFFFAOYSA-N 2 0 334.467 3.427 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)NC[C@H]2[NH2+]CCCC2(C)C)c1C ZINC000414928507 309109626 /nfs/dbraw/zinc/10/96/26/309109626.db2.gz NIYIJPHIQDDAAH-MAUKXSAKSA-N 2 0 331.504 3.388 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000414936053 309110118 /nfs/dbraw/zinc/11/01/18/309110118.db2.gz YZAQZQJHDKTJMU-KBPBESRZSA-N 2 0 338.377 3.251 20 0 EGADRP COCC1(C[NH2+]Cc2ccccc2OC2CCCC2)CC[NH2+]CC1 ZINC000414941393 309110327 /nfs/dbraw/zinc/11/03/27/309110327.db2.gz AQBDXUJXJCJMAE-UHFFFAOYSA-N 2 0 332.488 3.114 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH2+]1 ZINC000414959008 309111466 /nfs/dbraw/zinc/11/14/66/309111466.db2.gz WWAUAHZEVUVITR-VQIMIIECSA-N 2 0 347.466 3.164 20 0 EGADRP COCC1(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414979724 309112581 /nfs/dbraw/zinc/11/25/81/309112581.db2.gz VFVSVVXPGLXZSZ-CQSZACIVSA-N 2 0 344.421 3.242 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414984135 309112745 /nfs/dbraw/zinc/11/27/45/309112745.db2.gz DBCCIAYZRBQHKD-QOARYFPJSA-N 2 0 327.241 3.194 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000415006764 309113972 /nfs/dbraw/zinc/11/39/72/309113972.db2.gz ABTDAGBSSXYLBP-GJZGRUSLSA-N 2 0 339.911 3.184 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415011992 309114178 /nfs/dbraw/zinc/11/41/78/309114178.db2.gz WTNIJKQMZGGTBF-FFGOWVMKSA-N 2 0 334.479 3.312 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415013763 309114406 /nfs/dbraw/zinc/11/44/06/309114406.db2.gz KXTVWYGDYCLEPZ-GFCCVEGCSA-N 2 0 336.430 3.374 20 0 EGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415015224 309114492 /nfs/dbraw/zinc/11/44/92/309114492.db2.gz NSJVMMDFLWKFEQ-LSDHHAIUSA-N 2 0 339.911 3.184 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018873 309114735 /nfs/dbraw/zinc/11/47/35/309114735.db2.gz CZJXLBVHYGTXMI-BQFCYCMXSA-N 2 0 334.504 3.380 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000415028454 309115224 /nfs/dbraw/zinc/11/52/24/309115224.db2.gz YQABMVYFGHZDHC-WKILWMFISA-N 2 0 326.444 3.124 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415045114 309116178 /nfs/dbraw/zinc/11/61/78/309116178.db2.gz TVJLAVBHLKRWGI-MJGOQNOKSA-N 2 0 340.467 3.491 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000415049739 309116654 /nfs/dbraw/zinc/11/66/54/309116654.db2.gz YANQVPBWWAAWPN-LPHOPBHVSA-N 2 0 347.466 3.151 20 0 EGADRP Fc1ccc(CN2CCC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000415075446 309118594 /nfs/dbraw/zinc/11/85/94/309118594.db2.gz BJVYOFNEVLMNGY-PBHICJAKSA-N 2 0 339.886 3.033 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415077801 309118746 /nfs/dbraw/zinc/11/87/46/309118746.db2.gz FMJNXADWMLGEKA-DOTOQJQBSA-N 2 0 330.451 3.412 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]CC2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC000415082566 309118974 /nfs/dbraw/zinc/11/89/74/309118974.db2.gz LYPGGRXIKGZPAO-ZIAGYGMSSA-N 2 0 337.305 3.458 20 0 EGADRP [NH3+]C1CCC([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000415087074 309119293 /nfs/dbraw/zinc/11/92/93/309119293.db2.gz TUTGESSJDSWXHA-JCYILVPMSA-N 2 0 339.886 3.303 20 0 EGADRP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000415088122 309119458 /nfs/dbraw/zinc/11/94/58/309119458.db2.gz XBGLFZDVASTMBP-SOUVJXGZSA-N 2 0 343.393 3.033 20 0 EGADRP COc1ccc([C@H](C[NH2+]C2CCC(C[NH3+])CC2)N2CCCCC2)cc1 ZINC000415091758 309119600 /nfs/dbraw/zinc/11/96/00/309119600.db2.gz ZYIUZVNHBNOUQH-XTXLOEGASA-N 2 0 345.531 3.329 20 0 EGADRP COc1cccc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c1OC1CCCC1 ZINC000415093855 309119737 /nfs/dbraw/zinc/11/97/37/309119737.db2.gz WIJVICKOYZZPFE-CVEARBPZSA-N 2 0 332.488 3.494 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415115263 309121245 /nfs/dbraw/zinc/12/12/45/309121245.db2.gz GTZMEHZOBLUVJN-MCIONIFRSA-N 2 0 325.294 3.358 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000415121952 309121766 /nfs/dbraw/zinc/12/17/66/309121766.db2.gz IXYKWGJOCRWGFK-PBHICJAKSA-N 2 0 326.843 3.197 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415124006 309122050 /nfs/dbraw/zinc/12/20/50/309122050.db2.gz LYKCLEHYJQHBKF-PZJWPPBQSA-N 2 0 346.515 3.440 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)C1 ZINC000415125591 309122260 /nfs/dbraw/zinc/12/22/60/309122260.db2.gz OMCNRVZBGKUAKN-OCCSQVGLSA-N 2 0 348.434 3.485 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415136705 309123142 /nfs/dbraw/zinc/12/31/42/309123142.db2.gz XPFQDRYQBMMETK-DLBZAZTESA-N 2 0 342.405 3.424 20 0 EGADRP CCn1c2ccccc2c2cc(C[NH+]3CCC(O)(C[NH3+])CC3)ccc21 ZINC000415143965 309123575 /nfs/dbraw/zinc/12/35/75/309123575.db2.gz TZCOGPOPGMWCDL-UHFFFAOYSA-N 2 0 337.467 3.100 20 0 EGADRP Cc1cc(NC(=O)NC2(C)CC[NH2+]CC2)cnc1N1CCCC[C@H]1C ZINC000415452726 309133919 /nfs/dbraw/zinc/13/39/19/309133919.db2.gz KUGVPAKNUNXZQM-OAHLLOKOSA-N 2 0 345.491 3.032 20 0 EGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415783429 309143714 /nfs/dbraw/zinc/14/37/14/309143714.db2.gz GAZUYJQZCGBOMS-ZWKOTPCHSA-N 2 0 332.492 3.073 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)CC(C)C ZINC000415880831 309145691 /nfs/dbraw/zinc/14/56/91/309145691.db2.gz GVNNZYGYZSJKKU-LJQANCHMSA-N 2 0 346.519 3.210 20 0 EGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccccc1C[NH2+]C)c1ccco1 ZINC000415901951 309147078 /nfs/dbraw/zinc/14/70/78/309147078.db2.gz NZDSKSDXVUGOIL-RHSMWYFYSA-N 2 0 344.459 3.250 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000415910671 309147871 /nfs/dbraw/zinc/14/78/71/309147871.db2.gz WCMKJQNDAAZAEM-KRWDZBQOSA-N 2 0 334.508 3.284 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415939713 309150198 /nfs/dbraw/zinc/15/01/98/309150198.db2.gz ZJCHVLYQQWERMZ-HZPDHXFCSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccco1 ZINC000415969589 309151942 /nfs/dbraw/zinc/15/19/42/309151942.db2.gz GMHKPJYKADNFLG-KRWDZBQOSA-N 2 0 344.459 3.204 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972028 309152059 /nfs/dbraw/zinc/15/20/59/309152059.db2.gz OLMXSLNVONWEKZ-LLVKDONJSA-N 2 0 346.397 3.014 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981911 309152685 /nfs/dbraw/zinc/15/26/85/309152685.db2.gz WUNCHHJGHBWZDZ-UHFFFAOYSA-N 2 0 340.471 3.261 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416210991 309164053 /nfs/dbraw/zinc/16/40/53/309164053.db2.gz UIVCVHMMAQGMAO-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417700659 309218666 /nfs/dbraw/zinc/21/86/66/309218666.db2.gz GZBKRTVULITPDI-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP Cc1ccc(CC(C)(C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000419310237 309264235 /nfs/dbraw/zinc/26/42/35/309264235.db2.gz AEFAKVSLPMAIAO-UHFFFAOYSA-N 2 0 331.548 3.322 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2cc1OCC ZINC000420261096 309278330 /nfs/dbraw/zinc/27/83/30/309278330.db2.gz OQVKDQCBPRGTJQ-CABCVRRESA-N 2 0 341.455 3.078 20 0 EGADRP c1cc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313140 309281229 /nfs/dbraw/zinc/28/12/29/309281229.db2.gz PEBRZCBXNKKKHQ-SJLPKXTDSA-N 3 0 333.545 3.082 20 0 EGADRP c1csc(C[N@@H+](CCCc2ccncc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420312690 309281317 /nfs/dbraw/zinc/28/13/17/309281317.db2.gz OTLGGYNQYJKSHG-KRWDZBQOSA-N 2 0 342.512 3.115 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000420320554 309282151 /nfs/dbraw/zinc/28/21/51/309282151.db2.gz QOWVGICYFVWBPN-FKBYEOEOSA-N 2 0 336.479 3.069 20 0 EGADRP COc1cccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420323425 309282430 /nfs/dbraw/zinc/28/24/30/309282430.db2.gz UGCZVZPRTIBEGG-YLJYHZDGSA-N 2 0 332.488 3.066 20 0 EGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420334801 309282783 /nfs/dbraw/zinc/28/27/83/309282783.db2.gz GNINZORRZPDGEK-GJZGRUSLSA-N 2 0 346.500 3.052 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336637 309283050 /nfs/dbraw/zinc/28/30/50/309283050.db2.gz IYVYJXWZBNVBNP-AEFFLSMTSA-N 2 0 329.488 3.094 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000420341165 309283274 /nfs/dbraw/zinc/28/32/74/309283274.db2.gz NWHYUMDMUOVPPW-VQIMIIECSA-N 2 0 329.488 3.094 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344637 309283521 /nfs/dbraw/zinc/28/35/21/309283521.db2.gz UIKBONRPGJRESY-PBHICJAKSA-N 2 0 349.906 3.439 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000420371090 309284706 /nfs/dbraw/zinc/28/47/06/309284706.db2.gz KEWUCJZIHYQNJF-YLJYHZDGSA-N 2 0 328.456 3.487 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000420380497 309285339 /nfs/dbraw/zinc/28/53/39/309285339.db2.gz BYJAMBZFMXDRFI-YOEHRIQHSA-N 2 0 335.879 3.133 20 0 EGADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420384229 309285473 /nfs/dbraw/zinc/28/54/73/309285473.db2.gz GFEQQHLNQDPXPW-SJLPKXTDSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000420396646 309286342 /nfs/dbraw/zinc/28/63/42/309286342.db2.gz VSWBZKCSMXCWDQ-YZGWKJHDSA-N 2 0 332.463 3.421 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000420396644 309286411 /nfs/dbraw/zinc/28/64/11/309286411.db2.gz VSWBZKCSMXCWDQ-MISYRCLQSA-N 2 0 332.463 3.421 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000421318837 309318152 /nfs/dbraw/zinc/31/81/52/309318152.db2.gz IKUHTKVGCHPQKX-DYESRHJHSA-N 2 0 327.516 3.022 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(F)c(C)c3)CC2)CC1 ZINC000421377793 309321613 /nfs/dbraw/zinc/32/16/13/309321613.db2.gz RZFCMLHCECFIKB-UHFFFAOYSA-N 2 0 333.495 3.126 20 0 EGADRP COC1([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398886 309322973 /nfs/dbraw/zinc/32/29/73/309322973.db2.gz GWHIJZLRXNZZEX-WSTZPKSXSA-N 2 0 346.515 3.071 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccncc1Cl ZINC000421834396 309342220 /nfs/dbraw/zinc/34/22/20/309342220.db2.gz CFXBQMYKBUJVOH-RHSMWYFYSA-N 2 0 345.874 3.152 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000421868886 309344348 /nfs/dbraw/zinc/34/43/48/309344348.db2.gz CWBJYHXPTDOWID-IUDNXUCKSA-N 2 0 329.488 3.440 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1ccc(F)cc1 ZINC000421885887 309345018 /nfs/dbraw/zinc/34/50/18/309345018.db2.gz UVXKHQIOZLKPHH-NVPAJSRCSA-N 2 0 345.466 3.238 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000422559123 309361577 /nfs/dbraw/zinc/36/15/77/309361577.db2.gz CBZGUSLAVOCVKM-HLIPFELVSA-N 2 0 339.483 3.466 20 0 EGADRP CC(C)C[C@@H](CNC(=O)NC(C)(C)CC[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422605160 309362444 /nfs/dbraw/zinc/36/24/44/309362444.db2.gz PMXREDSDGYIZGG-AEFFLSMTSA-N 2 0 348.535 3.179 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)ccc2o1 ZINC000422637394 309363246 /nfs/dbraw/zinc/36/32/46/309363246.db2.gz OOHNPQTYVHEFML-WWGRRREGSA-N 2 0 330.428 3.025 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422702951 309363804 /nfs/dbraw/zinc/36/38/04/309363804.db2.gz LWQCKMQVPYEUNO-PWRODBHTSA-N 2 0 341.543 3.334 20 0 EGADRP Fc1ccc(Br)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422706554 309364005 /nfs/dbraw/zinc/36/40/05/309364005.db2.gz UPNWANJLQNHNKU-PBWFPOADSA-N 2 0 327.241 3.003 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422712537 309364343 /nfs/dbraw/zinc/36/43/43/309364343.db2.gz IMIVFLDQIRYWLA-LEWJYISDSA-N 2 0 339.483 3.252 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422711776 309364441 /nfs/dbraw/zinc/36/44/41/309364441.db2.gz GGADVPPZNWUBEV-JXFKEZNVSA-N 2 0 325.456 3.138 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422725498 309365047 /nfs/dbraw/zinc/36/50/47/309365047.db2.gz YDVILMSDSXHNBD-IUODEOHRSA-N 2 0 326.868 3.225 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422731277 309365709 /nfs/dbraw/zinc/36/57/09/309365709.db2.gz NJUHVSXELPBSQU-FPOVZHCZSA-N 2 0 338.451 3.083 20 0 EGADRP Fc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422734780 309365931 /nfs/dbraw/zinc/36/59/31/309365931.db2.gz UAEUIKBGDNYKQM-UYAOXDASSA-N 2 0 326.415 3.214 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)c2)CC1 ZINC000422737440 309366011 /nfs/dbraw/zinc/36/60/11/309366011.db2.gz IFMUTILEQDYRCL-RXVVDRJESA-N 3 0 329.532 3.396 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000422737715 309366048 /nfs/dbraw/zinc/36/60/48/309366048.db2.gz XTJVNWVZDYPHSL-UAFMIMERSA-N 2 0 333.495 3.329 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422750525 309366400 /nfs/dbraw/zinc/36/64/00/309366400.db2.gz DEFWIFIRFLDSHP-RCCFBDPRSA-N 2 0 326.488 3.245 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422749479 309366426 /nfs/dbraw/zinc/36/64/26/309366426.db2.gz ZJMYIBYCJBBIFU-CJNGLKHVSA-N 2 0 337.305 3.458 20 0 EGADRP CC1CC[NH+]([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccs2)CC1 ZINC000422748139 309366550 /nfs/dbraw/zinc/36/65/50/309366550.db2.gz SDXCIZQLFUFZMN-UJJTZGENSA-N 2 0 333.545 3.394 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2csc3ccccc23)CC[NH2+]CC1 ZINC000422764471 309367198 /nfs/dbraw/zinc/36/71/98/309367198.db2.gz PSHHPNJHENLFBU-AWEZNQCLSA-N 2 0 346.496 3.312 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422768474 309367336 /nfs/dbraw/zinc/36/73/36/309367336.db2.gz UPRIPYFJJGETLV-XUVXKRRUSA-N 2 0 346.490 3.384 20 0 EGADRP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422772936 309367536 /nfs/dbraw/zinc/36/75/36/309367536.db2.gz ZUUACIDLZGQYNC-MTFMMBMASA-N 2 0 331.479 3.305 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422773292 309367546 /nfs/dbraw/zinc/36/75/46/309367546.db2.gz ZRQVUSFNYYXGQD-RYGJVYDSSA-N 2 0 344.524 3.415 20 0 EGADRP Cc1ccc(N2CCC([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000422778756 309367955 /nfs/dbraw/zinc/36/79/55/309367955.db2.gz HTKXVROSEBGUTR-PKOBYXMFSA-N 2 0 330.520 3.259 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000422790882 309368409 /nfs/dbraw/zinc/36/84/09/309368409.db2.gz UNLOUCQFEMYNLQ-MRXNPFEDSA-N 2 0 326.488 3.021 20 0 EGADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422789742 309368434 /nfs/dbraw/zinc/36/84/34/309368434.db2.gz BNFOXAVDTNWNDW-CEXWTWQISA-N 2 0 329.488 3.291 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccc(Br)cc1 ZINC000422794091 309368598 /nfs/dbraw/zinc/36/85/98/309368598.db2.gz GHWYVSCFSZTCPJ-XJKCOSOUSA-N 2 0 341.293 3.324 20 0 EGADRP COc1cccc(O[C@H](C)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422793820 309368620 /nfs/dbraw/zinc/36/86/20/309368620.db2.gz SWLRWZSVWZNBGA-QINHECLXSA-N 2 0 328.456 3.011 20 0 EGADRP COc1cccc(O[C@H](C)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422793816 309368652 /nfs/dbraw/zinc/36/86/52/309368652.db2.gz SWLRWZSVWZNBGA-GQIGUUNPSA-N 2 0 328.456 3.011 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000422798482 309369116 /nfs/dbraw/zinc/36/91/16/309369116.db2.gz RIISONFTAAIJRB-NSISKUIASA-N 2 0 333.520 3.056 20 0 EGADRP c1ccc(C2CCC([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422807810 309369609 /nfs/dbraw/zinc/36/96/09/309369609.db2.gz NGMCAXXAGRUQHR-JRGKDQQJSA-N 2 0 328.500 3.460 20 0 EGADRP c1ccc(C2CCC([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422807809 309369629 /nfs/dbraw/zinc/36/96/29/309369629.db2.gz NGMCAXXAGRUQHR-DPVAKWRKSA-N 2 0 328.500 3.460 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000422813368 309369755 /nfs/dbraw/zinc/36/97/55/309369755.db2.gz RRASIZGJKAAKJD-CABCVRRESA-N 2 0 335.455 3.446 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422814095 309369859 /nfs/dbraw/zinc/36/98/59/309369859.db2.gz ZMVFTOGCQANODJ-GCJKJVERSA-N 2 0 337.511 3.331 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422820811 309370086 /nfs/dbraw/zinc/37/00/86/309370086.db2.gz SIONLQDYDQARHC-GHTZIAJQSA-N 2 0 348.494 3.022 20 0 EGADRP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422820957 309370143 /nfs/dbraw/zinc/37/01/43/309370143.db2.gz TUOATIHSAOHDIZ-BRWVUGGUSA-N 2 0 347.469 3.161 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422824300 309370394 /nfs/dbraw/zinc/37/03/94/309370394.db2.gz NKAROJGMNBRLKD-CVEARBPZSA-N 2 0 330.394 3.373 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422839607 309371273 /nfs/dbraw/zinc/37/12/73/309371273.db2.gz QVLAXJUKECPMNB-UWVAXJGDSA-N 3 0 332.536 3.400 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422854942 309372214 /nfs/dbraw/zinc/37/22/14/309372214.db2.gz USUPMYDMBQTCMJ-IRXDYDNUSA-N 2 0 332.488 3.091 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@H]3CCCCC[C@H]3[NH3+])cc2c(OC)c1 ZINC000422867445 309372785 /nfs/dbraw/zinc/37/27/85/309372785.db2.gz SGJZGJQVEUAZEG-MSOLQXFVSA-N 2 0 345.487 3.367 20 0 EGADRP Cc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+]2CCCC2)o1 ZINC000422876271 309373405 /nfs/dbraw/zinc/37/34/05/309373405.db2.gz FKCMVECOOIJNLG-SXLOBPIMSA-N 2 0 341.499 3.273 20 0 EGADRP Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)c(OC[C@@H]2CCCO2)c1 ZINC000422876534 309373537 /nfs/dbraw/zinc/37/35/37/309373537.db2.gz QIEXQAMFPMDYGO-KVZIAJEVSA-N 2 0 332.488 3.160 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884091 309374176 /nfs/dbraw/zinc/37/41/76/309374176.db2.gz RSDYMNMXGFPVGC-BBWFWOEESA-N 3 0 332.536 3.257 20 0 EGADRP C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887466 309374312 /nfs/dbraw/zinc/37/43/12/309374312.db2.gz YTVFZFAWTNXVLH-DNVCBOLYSA-N 2 0 341.524 3.045 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422889177 309374431 /nfs/dbraw/zinc/37/44/31/309374431.db2.gz FLGJWXHVKIHVNX-UYAOXDASSA-N 3 0 333.520 3.014 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901792 309375233 /nfs/dbraw/zinc/37/52/33/309375233.db2.gz CJIJZEFFXGIINW-FDQGKXFDSA-N 2 0 339.886 3.161 20 0 EGADRP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000422909248 309375669 /nfs/dbraw/zinc/37/56/69/309375669.db2.gz FJRQMQGMDSGSFJ-BRWVUGGUSA-N 2 0 342.512 3.258 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422951679 309377733 /nfs/dbraw/zinc/37/77/33/309377733.db2.gz ZRXVBRPKXGWUFL-GDBMZVCRSA-N 2 0 344.528 3.385 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422956585 309378149 /nfs/dbraw/zinc/37/81/49/309378149.db2.gz LMUAWBXTHXMFEY-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccco1 ZINC000422972440 309378921 /nfs/dbraw/zinc/37/89/21/309378921.db2.gz LQDDHSDAEBSUFM-KSSFIOAISA-N 2 0 330.476 3.175 20 0 EGADRP COCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422969616 309379015 /nfs/dbraw/zinc/37/90/15/309379015.db2.gz UWFSPSRGOQMDJB-XUVXKRRUSA-N 2 0 331.504 3.145 20 0 EGADRP c1ccc2c(c1)CC(C[NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422983307 309379450 /nfs/dbraw/zinc/37/94/50/309379450.db2.gz SSEZXEWKQYRYPB-RBBKRZOGSA-N 2 0 334.463 3.247 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000422990117 309379795 /nfs/dbraw/zinc/37/97/95/309379795.db2.gz BQCYPPOWHLUXNS-DYESRHJHSA-N 3 0 341.499 3.389 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423013858 309380891 /nfs/dbraw/zinc/38/08/91/309380891.db2.gz NOJKDDWXURBSCZ-LPHOPBHVSA-N 2 0 326.488 3.488 20 0 EGADRP COc1ccc(Oc2ccc(CC[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000423015519 309381201 /nfs/dbraw/zinc/38/12/01/309381201.db2.gz RIOHYPZYUFGHQP-PMACEKPBSA-N 2 0 326.440 3.499 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423029254 309381784 /nfs/dbraw/zinc/38/17/84/309381784.db2.gz HWJIBKJHOSMDMZ-QFBILLFUSA-N 2 0 326.488 3.488 20 0 EGADRP C[C@H]([NH2+][C@@H](Cc1cccc(Br)c1)CC1CC1)C1C[NH2+]C1 ZINC000423053210 309383126 /nfs/dbraw/zinc/38/31/26/309383126.db2.gz RNPPRCZTRYFZJZ-YVEFUNNKSA-N 2 0 337.305 3.358 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000423055195 309383468 /nfs/dbraw/zinc/38/34/68/309383468.db2.gz CWPDJTCXXROQAL-ZHALLVOQSA-N 2 0 335.536 3.211 20 0 EGADRP Fc1ccc(CCCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423059558 309383807 /nfs/dbraw/zinc/38/38/07/309383807.db2.gz FUJMRVVMZKBBTN-XUVXKRRUSA-N 2 0 334.479 3.285 20 0 EGADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423064576 309383893 /nfs/dbraw/zinc/38/38/93/309383893.db2.gz RUKIQEGKYIBJHE-MBOZISHXSA-N 2 0 339.405 3.157 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423069100 309384229 /nfs/dbraw/zinc/38/42/29/309384229.db2.gz DEFPUCQNHLPJOH-JNAXZKDPSA-N 2 0 325.456 3.277 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068099 309384286 /nfs/dbraw/zinc/38/42/86/309384286.db2.gz AWLYRECAKZNMBV-ZIAGYGMSSA-N 2 0 331.382 3.119 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423086037 309385260 /nfs/dbraw/zinc/38/52/60/309385260.db2.gz MCWOGJMDRFLFJB-WMZOPIPTSA-N 2 0 338.499 3.416 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423088029 309385348 /nfs/dbraw/zinc/38/53/48/309385348.db2.gz PCWZGLQFUPLENH-SBGRQLAYSA-N 2 0 339.483 3.056 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC(c2ccccc2)C1 ZINC000423088913 309385387 /nfs/dbraw/zinc/38/53/87/309385387.db2.gz RGHFLVZMDFISPN-ZLVKKYOXSA-N 2 0 342.527 3.443 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000423090382 309385444 /nfs/dbraw/zinc/38/54/44/309385444.db2.gz VKCLIDJLEZNSBR-HOTGVXAUSA-N 2 0 342.487 3.021 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423098275 309385868 /nfs/dbraw/zinc/38/58/68/309385868.db2.gz RXVZQCQIUXXRRC-JKSUJKDBSA-N 2 0 330.394 3.420 20 0 EGADRP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423130094 309387354 /nfs/dbraw/zinc/38/73/54/309387354.db2.gz YCRGMORFYLTPHZ-XERREHJYSA-N 2 0 336.435 3.008 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423134217 309387638 /nfs/dbraw/zinc/38/76/38/309387638.db2.gz DRFAEIRYUPDLPZ-NRSPTQNISA-N 3 0 329.532 3.266 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423135313 309387798 /nfs/dbraw/zinc/38/77/98/309387798.db2.gz NMOQIZNUAUUDOY-YOEHRIQHSA-N 2 0 334.533 3.032 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000423135893 309387814 /nfs/dbraw/zinc/38/78/14/309387814.db2.gz OMVUAVDDYDGONB-FPOVZHCZSA-N 3 0 343.515 3.098 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(Cl)c1OC ZINC000423140125 309388059 /nfs/dbraw/zinc/38/80/59/309388059.db2.gz XKDYJTKZORFQIW-ZIAGYGMSSA-N 2 0 326.868 3.149 20 0 EGADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423142832 309388178 /nfs/dbraw/zinc/38/81/78/309388178.db2.gz BJDBXDRNAIOMTG-NXWXRZEISA-N 2 0 336.426 3.089 20 0 EGADRP Fc1cc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423146507 309388420 /nfs/dbraw/zinc/38/84/20/309388420.db2.gz AOUNJMIUYXHIAR-IAOVAPTHSA-N 2 0 326.843 3.368 20 0 EGADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423170429 309388969 /nfs/dbraw/zinc/38/89/69/309388969.db2.gz LVXSZDVWMKZJOJ-PWGAFSCYSA-N 2 0 338.854 3.082 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193569 309389961 /nfs/dbraw/zinc/38/99/61/309389961.db2.gz WYZUOYZXAIXPEW-TYPHKJRUSA-N 3 0 327.516 3.019 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000423195038 309390091 /nfs/dbraw/zinc/39/00/91/309390091.db2.gz XHRQWOGFDFNITR-NQIIRXRSSA-N 2 0 337.467 3.205 20 0 EGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423201594 309390208 /nfs/dbraw/zinc/39/02/08/309390208.db2.gz JASBJPPPHCNOBD-HNNXBMFYSA-N 2 0 345.437 3.188 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423202323 309390254 /nfs/dbraw/zinc/39/02/54/309390254.db2.gz AQZGSJIQLICYIB-KJJMTIBFSA-N 2 0 341.543 3.266 20 0 EGADRP Fc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423205154 309390335 /nfs/dbraw/zinc/39/03/35/309390335.db2.gz PADDTEIJEPFRIM-IBGZPJMESA-N 2 0 347.865 3.063 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423212713 309390603 /nfs/dbraw/zinc/39/06/03/309390603.db2.gz MDAOYXQUNURYCF-HZPDHXFCSA-N 2 0 332.492 3.211 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249323 309392114 /nfs/dbraw/zinc/39/21/14/309392114.db2.gz OQMLNCYDLVBSHH-DOMZBBRYSA-N 2 0 339.277 3.252 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423260486 309392730 /nfs/dbraw/zinc/39/27/30/309392730.db2.gz QEMLTAVMQZOTLK-HOCLYGCPSA-N 2 0 330.451 3.360 20 0 EGADRP CCC([NH3+])(CC)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423286319 309394129 /nfs/dbraw/zinc/39/41/29/309394129.db2.gz GNXOYXRECPGMBK-HSALFYBXSA-N 2 0 329.532 3.394 20 0 EGADRP CCC([NH3+])(CC)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423286320 309394204 /nfs/dbraw/zinc/39/42/04/309394204.db2.gz GNXOYXRECPGMBK-SLFFLAALSA-N 2 0 329.532 3.394 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000423314610 309394771 /nfs/dbraw/zinc/39/47/71/309394771.db2.gz YOKNORCXLFOVSV-WMLDXEAASA-N 2 0 343.496 3.335 20 0 EGADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000423312316 309394823 /nfs/dbraw/zinc/39/48/23/309394823.db2.gz RNPQVOUIFMBFNG-LJQANCHMSA-N 2 0 343.515 3.067 20 0 EGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423318495 309395014 /nfs/dbraw/zinc/39/50/14/309395014.db2.gz BUHLETTXTIEVHL-OFCAXSSNSA-N 2 0 345.531 3.041 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423327711 309395270 /nfs/dbraw/zinc/39/52/70/309395270.db2.gz LRXORFHTQHCXDT-IFXJQAMLSA-N 2 0 330.476 3.011 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccccc21 ZINC000423326502 309395384 /nfs/dbraw/zinc/39/53/84/309395384.db2.gz KQLHVBZYANWDSJ-QZTJIDSGSA-N 2 0 330.472 3.148 20 0 EGADRP CC(C)[C@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000423341933 309396139 /nfs/dbraw/zinc/39/61/39/309396139.db2.gz YGCYMXBMMDBXKB-APWZRJJASA-N 2 0 331.504 3.193 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423340550 309396219 /nfs/dbraw/zinc/39/62/19/309396219.db2.gz XJTBBXAPYHNMQN-HSALFYBXSA-N 2 0 327.516 3.148 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000423356508 309396820 /nfs/dbraw/zinc/39/68/20/309396820.db2.gz KAKUTIBWPWRQCI-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423356159 309396872 /nfs/dbraw/zinc/39/68/72/309396872.db2.gz JHRXGFYBFOQFEI-QUCCMNQESA-N 2 0 325.456 3.106 20 0 EGADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000423367085 309397334 /nfs/dbraw/zinc/39/73/34/309397334.db2.gz YORNIVJEMVXPMW-QFBILLFUSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423369465 309397386 /nfs/dbraw/zinc/39/73/86/309397386.db2.gz CGQNWSSUPHEGRW-APWZRJJASA-N 2 0 343.515 3.106 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000423384932 309397998 /nfs/dbraw/zinc/39/79/98/309397998.db2.gz LDYMNMCDXAGNPU-HRAATJIYSA-N 2 0 327.516 3.423 20 0 EGADRP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423384179 309398027 /nfs/dbraw/zinc/39/80/27/309398027.db2.gz JYIHJWCYIVGVRC-SXLOBPIMSA-N 2 0 329.532 3.265 20 0 EGADRP COCC1(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC[NH2+]CC1 ZINC000423396854 309398527 /nfs/dbraw/zinc/39/85/27/309398527.db2.gz BMDFEEPHYLSTNA-SFHVURJKSA-N 2 0 336.907 3.267 20 0 EGADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423402323 309398788 /nfs/dbraw/zinc/39/87/88/309398788.db2.gz HBTHQQMDMHTHPJ-INIZCTEOSA-N 2 0 340.895 3.406 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)CC[NH2+]CC1 ZINC000423408069 309398859 /nfs/dbraw/zinc/39/88/59/309398859.db2.gz OAXPFVXHRFQWEA-AWEZNQCLSA-N 2 0 332.444 3.108 20 0 EGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423411898 309399050 /nfs/dbraw/zinc/39/90/50/309399050.db2.gz VRTAZIXAPLYCDL-CQSZACIVSA-N 2 0 340.895 3.406 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000423428303 309399995 /nfs/dbraw/zinc/39/99/95/309399995.db2.gz GJJVMVLDLCYYPB-GQIGUUNPSA-N 2 0 337.467 3.099 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000423438286 309400503 /nfs/dbraw/zinc/40/05/03/309400503.db2.gz NBKGVAYRNNQCNO-HZUKXOBISA-N 2 0 338.879 3.396 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465773 309401347 /nfs/dbraw/zinc/40/13/47/309401347.db2.gz HVIHQIJEYATIFZ-SXLOBPIMSA-N 2 0 344.478 3.030 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000423489797 309402614 /nfs/dbraw/zinc/40/26/14/309402614.db2.gz GXCSZTBEFCODPH-GPCCPHFNSA-N 2 0 327.241 3.293 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423493715 309403080 /nfs/dbraw/zinc/40/30/80/309403080.db2.gz QVNFXOHZGZKCGU-LNSITVRQSA-N 2 0 333.867 3.007 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000423506054 309403532 /nfs/dbraw/zinc/40/35/32/309403532.db2.gz LXFSOKAZFMGGKO-SRCQZFHVSA-N 2 0 337.305 3.487 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)nc1 ZINC000423545212 309405996 /nfs/dbraw/zinc/40/59/96/309405996.db2.gz OZBCJLNSWLFNFD-IXIUHKBRSA-N 2 0 325.431 3.288 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423783114 309412435 /nfs/dbraw/zinc/41/24/35/309412435.db2.gz ZYHDKYABGYUDDT-CVEARBPZSA-N 2 0 339.911 3.083 20 0 EGADRP [NH3+]C[C@H](CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000424275939 309435678 /nfs/dbraw/zinc/43/56/78/309435678.db2.gz BJPJGUISQFHBPI-APWZRJJASA-N 2 0 347.865 3.168 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000424308930 309437992 /nfs/dbraw/zinc/43/79/92/309437992.db2.gz HQGOQZVNXSOKJI-UHFFFAOYSA-N 2 0 344.499 3.494 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccco1 ZINC000424438554 309443936 /nfs/dbraw/zinc/44/39/36/309443936.db2.gz PYOUKKQSCJZATB-QGZVFWFLSA-N 2 0 344.459 3.251 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)CC(C)C ZINC000424444315 309444145 /nfs/dbraw/zinc/44/41/45/309444145.db2.gz MEUCPHYEYONPJX-SFHVURJKSA-N 2 0 334.508 3.332 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000430949857 309621956 /nfs/dbraw/zinc/62/19/56/309621956.db2.gz PCABXEUBZOPMIZ-LBPRGKRZSA-N 2 0 345.468 3.098 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000431600193 309637691 /nfs/dbraw/zinc/63/76/91/309637691.db2.gz NGMHURBQFZCOCQ-IBGZPJMESA-N 2 0 331.504 3.065 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432228099 309655171 /nfs/dbraw/zinc/65/51/71/309655171.db2.gz HNRPNOXLMHIILJ-UHFFFAOYSA-N 2 0 336.332 3.172 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000433223493 309682718 /nfs/dbraw/zinc/68/27/18/309682718.db2.gz PSDNYTJYTROGGA-LJQANCHMSA-N 2 0 325.456 3.380 20 0 EGADRP CC[C@H](F)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000440614533 309852746 /nfs/dbraw/zinc/85/27/46/309852746.db2.gz UBLAIVAGSZZEJZ-GJZGRUSLSA-N 2 0 325.447 3.366 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447541874 309981588 /nfs/dbraw/zinc/98/15/88/309981588.db2.gz NYVBPCMBRVABJK-NHCUHLMSSA-N 2 0 329.532 3.488 20 0 EGADRP C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000448021627 309996348 /nfs/dbraw/zinc/99/63/48/309996348.db2.gz JRZOFAZLODDZBF-FXAWDEMLSA-N 2 0 347.547 3.398 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449114101 310038089 /nfs/dbraw/zinc/03/80/89/310038089.db2.gz YDCIZLPQWHSCHQ-INIZCTEOSA-N 2 0 330.472 3.454 20 0 EGADRP C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000449145184 310040157 /nfs/dbraw/zinc/04/01/57/310040157.db2.gz KTSOIHWHPKWGIR-APWZRJJASA-N 2 0 345.531 3.298 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449222984 310045789 /nfs/dbraw/zinc/04/57/89/310045789.db2.gz NIJGSDZOOGSKEY-GXTWGEPZSA-N 2 0 330.394 3.038 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CN3CCSC[C@H]3C3CC3)sc2C1 ZINC000449526428 310069221 /nfs/dbraw/zinc/06/92/21/310069221.db2.gz DREJOXFDTIJOLV-HNNXBMFYSA-N 2 0 337.558 3.237 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)n1-c1ccccc1 ZINC000449555478 310071509 /nfs/dbraw/zinc/07/15/09/310071509.db2.gz QJZMLKYAUHKXNU-HLIPFELVSA-N 2 0 325.456 3.164 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000449745020 310083827 /nfs/dbraw/zinc/08/38/27/310083827.db2.gz KWKAKYCUIRIPFK-UHFFFAOYSA-N 2 0 349.466 3.273 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450333224 310116054 /nfs/dbraw/zinc/11/60/54/310116054.db2.gz YTJRWMUUZGYGER-ROUUACIJSA-N 2 0 349.950 3.373 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1)CC1CC1 ZINC000450657494 310135564 /nfs/dbraw/zinc/13/55/64/310135564.db2.gz ZVWFIAUXZZKRDL-JOCHJYFZSA-N 2 0 344.543 3.424 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450798428 310143053 /nfs/dbraw/zinc/14/30/53/310143053.db2.gz ZBERUZPRNSBNBS-HBMCJLEFSA-N 2 0 344.547 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000450891235 310148187 /nfs/dbraw/zinc/14/81/87/310148187.db2.gz YYMJVWINPZLEQJ-BHIFYINESA-N 2 0 341.543 3.313 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000450940655 310150961 /nfs/dbraw/zinc/15/09/61/310150961.db2.gz MCCBGNCWXTUJSM-NHCUHLMSSA-N 2 0 329.532 3.108 20 0 EGADRP C[N@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776555 310196710 /nfs/dbraw/zinc/19/67/10/310196710.db2.gz AOPWWNYMRDHHOY-WOJBJXKFSA-N 2 0 348.531 3.006 20 0 EGADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092985 310257367 /nfs/dbraw/zinc/25/73/67/310257367.db2.gz ROWWQUXBWNTVFX-VYDXJSESSA-N 2 0 330.501 3.452 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)CO2 ZINC000453123658 310259489 /nfs/dbraw/zinc/25/94/89/310259489.db2.gz PKFFWNWFKUHKSG-SFHVURJKSA-N 2 0 332.488 3.245 20 0 EGADRP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000453171986 310262184 /nfs/dbraw/zinc/26/21/84/310262184.db2.gz YCUFHBKTYKDXFV-UIFIKXQLSA-N 2 0 345.531 3.150 20 0 EGADRP FC(F)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453224223 310265117 /nfs/dbraw/zinc/26/51/17/310265117.db2.gz PSJBXLRZAKSEQH-KURKYZTESA-N 2 0 338.442 3.301 20 0 EGADRP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453334960 310271651 /nfs/dbraw/zinc/27/16/51/310271651.db2.gz XPQZPXUWBYOPQK-WCHWRFHJSA-N 2 0 346.515 3.071 20 0 EGADRP CC1CC[NH+](CCC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2ccc(F)cc2)CC1 ZINC000453376775 310273663 /nfs/dbraw/zinc/27/36/63/310273663.db2.gz UWDVPHBAYARWCF-HSALFYBXSA-N 2 0 334.479 3.492 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455933209 310382715 /nfs/dbraw/zinc/38/27/15/310382715.db2.gz QLTYFQNQVSQWAF-KSSFIOAISA-N 2 0 332.492 3.087 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000456533829 310410890 /nfs/dbraw/zinc/41/08/90/310410890.db2.gz RWCZNEZEBIDOGT-KRWDZBQOSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CC3CCC(F)(F)CC3)CC2)CC1 ZINC000459371496 310547774 /nfs/dbraw/zinc/54/77/74/310547774.db2.gz SYWBHDUIVZFNRC-UHFFFAOYSA-N 2 0 343.506 3.302 20 0 EGADRP CC/C=C\CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000466220435 310647420 /nfs/dbraw/zinc/64/74/20/310647420.db2.gz VCLWMRNBEQAYNW-WAYWQWQTSA-N 2 0 331.504 3.105 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474045545 310784075 /nfs/dbraw/zinc/78/40/75/310784075.db2.gz KQRBVAIBPZTXLG-IBGZPJMESA-N 2 0 334.504 3.366 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000479067478 310868568 /nfs/dbraw/zinc/86/85/68/310868568.db2.gz KECZBAZWSGNPII-KXBFYZLASA-N 2 0 339.474 3.135 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479557149 310877897 /nfs/dbraw/zinc/87/78/97/310877897.db2.gz NPTYWUGNJQXHDJ-HNAYVOBHSA-N 2 0 335.923 3.191 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480900557 310902412 /nfs/dbraw/zinc/90/24/12/310902412.db2.gz RDUXTHZOUTVHBQ-RBUKOAKNSA-N 3 0 347.547 3.400 20 0 EGADRP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000488399413 311063501 /nfs/dbraw/zinc/06/35/01/311063501.db2.gz QMLMBTRWEUKORN-QGZVFWFLSA-N 2 0 328.500 3.281 20 0 EGADRP CC1CC[NH+](CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000489880336 311123890 /nfs/dbraw/zinc/12/38/90/311123890.db2.gz FDLIGWIWFWZLHO-NRFANRHFSA-N 2 0 329.532 3.172 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCSc3ccccc3)CC2)CC1 ZINC000490333207 311139222 /nfs/dbraw/zinc/13/92/22/311139222.db2.gz UHOSIKQUCXUCOR-UHFFFAOYSA-N 2 0 347.572 3.269 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000492694865 311281231 /nfs/dbraw/zinc/28/12/31/311281231.db2.gz FLIAXOJTDDWLNM-BRWVUGGUSA-N 2 0 339.524 3.144 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000496542855 311727994 /nfs/dbraw/zinc/72/79/94/311727994.db2.gz NVRDFVLIVNNIIP-MSOLQXFVSA-N 2 0 345.487 3.019 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496765414 311761583 /nfs/dbraw/zinc/76/15/83/311761583.db2.gz XADAWKRGTQFPDW-QRNKSROTSA-N 2 0 327.513 3.141 20 0 EGADRP CC(C)[NH2+]C1CC[NH+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000497069727 311811181 /nfs/dbraw/zinc/81/11/81/311811181.db2.gz FLNMWVOSPXVUHH-MRXNPFEDSA-N 2 0 341.540 3.246 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CCCCC1 ZINC000501792821 311953695 /nfs/dbraw/zinc/95/36/95/311953695.db2.gz FKYIVUOCTTZNSB-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@H+](CCOc1ccccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000508876686 312104520 /nfs/dbraw/zinc/10/45/20/312104520.db2.gz VVAVBLBNOWWMNC-CQSZACIVSA-N 2 0 341.293 3.102 20 0 EGADRP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C)c1 ZINC000512677723 312192144 /nfs/dbraw/zinc/19/21/44/312192144.db2.gz LJYLSJCIBKRGLV-WOJBJXKFSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C1CC1 ZINC000512672614 312192312 /nfs/dbraw/zinc/19/23/12/312192312.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 2 0 341.543 3.359 20 0 EGADRP C[C@H](c1c(F)cccc1F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819326 312218304 /nfs/dbraw/zinc/21/83/04/312218304.db2.gz UTWBWUPFVOOYER-OAHLLOKOSA-N 2 0 338.442 3.460 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000515487500 312285303 /nfs/dbraw/zinc/28/53/03/312285303.db2.gz WLRSAFLWFAGCQI-QGZVFWFLSA-N 2 0 337.552 3.255 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2nc(C3CC3)nn2C)CC1 ZINC000516565655 312330005 /nfs/dbraw/zinc/33/00/05/312330005.db2.gz HLRBRXGFPROLLT-INIZCTEOSA-N 2 0 345.535 3.169 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000516876221 312347401 /nfs/dbraw/zinc/34/74/01/312347401.db2.gz RHTBOYFJLXNIOP-UHFFFAOYSA-N 2 0 345.531 3.175 20 0 EGADRP CCOCC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517127812 312364963 /nfs/dbraw/zinc/36/49/63/312364963.db2.gz PGAYHCRYDHQGIO-UEXGIBASSA-N 2 0 348.531 3.042 20 0 EGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCCCC[NH2+]1 ZINC000519406210 312453060 /nfs/dbraw/zinc/45/30/60/312453060.db2.gz NKJUXUJCFYBSNH-HXUWFJFHSA-N 2 0 343.515 3.211 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424800 313090261 /nfs/dbraw/zinc/09/02/61/313090261.db2.gz NDWAPWWWTGYKRW-IOMROCGXSA-N 2 0 346.490 3.332 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530218695 313499667 /nfs/dbraw/zinc/49/96/67/313499667.db2.gz GTCIEVJNVXMNJF-BXKDBHETSA-N 2 0 333.220 3.334 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC(C)C)C2)[C@H](C)C1 ZINC000537478709 314183926 /nfs/dbraw/zinc/18/39/26/314183926.db2.gz ZWHYTSKPDCFCRR-WTGUMLROSA-N 2 0 340.552 3.307 20 0 EGADRP CO[C@H](C)[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000539295220 314304874 /nfs/dbraw/zinc/30/48/74/314304874.db2.gz LWZDVWZKLLHOLB-CADBVGFASA-N 2 0 348.531 3.209 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000539546237 314319779 /nfs/dbraw/zinc/31/97/79/314319779.db2.gz LLXRPNXNJMMFPU-UZLBHIALSA-N 2 0 329.488 3.355 20 0 EGADRP COc1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000539861351 314346410 /nfs/dbraw/zinc/34/64/10/314346410.db2.gz MLYPUNJROXYCFH-QZTJIDSGSA-N 2 0 346.515 3.407 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000544579601 314704000 /nfs/dbraw/zinc/70/40/00/314704000.db2.gz UXBFSQGHPLLXCC-LJQANCHMSA-N 2 0 335.923 3.333 20 0 EGADRP CCC(CC)(C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC ZINC000548486952 315016012 /nfs/dbraw/zinc/01/60/12/315016012.db2.gz KUYLZRQYJZXSNN-HKUYNNGSSA-N 2 0 346.515 3.466 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000548721098 315039409 /nfs/dbraw/zinc/03/94/09/315039409.db2.gz GQDOKWAEPQRWNB-UHFFFAOYSA-N 2 0 335.536 3.118 20 0 EGADRP C[C@H]1C[C@@H](CCNC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000548875927 315057820 /nfs/dbraw/zinc/05/78/20/315057820.db2.gz ZNRRSCKRSSUEKE-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCC[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000555022874 315362359 /nfs/dbraw/zinc/36/23/59/315362359.db2.gz RQEGLBIEZIIEIT-MKXGPGLRSA-N 2 0 326.525 3.155 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000562657450 315871014 /nfs/dbraw/zinc/87/10/14/315871014.db2.gz IWYGDFPIXPSTCB-DZFIZOCASA-N 2 0 334.504 3.453 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000562838953 315909873 /nfs/dbraw/zinc/90/98/73/315909873.db2.gz TUPCWZMZNXXFPM-QUCCMNQESA-N 2 0 341.455 3.060 20 0 EGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000563214951 315979370 /nfs/dbraw/zinc/97/93/70/315979370.db2.gz LOKWRSSNFNTUMB-QGZVFWFLSA-N 2 0 325.456 3.472 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nccn2Cc2ccccc2)c2ccccc21 ZINC000563528332 316033258 /nfs/dbraw/zinc/03/32/58/316033258.db2.gz XVCVEQQOYQETCA-WOJBJXKFSA-N 2 0 332.451 3.208 20 0 EGADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563975896 316099460 /nfs/dbraw/zinc/09/94/60/316099460.db2.gz JZVSYHJCZDDGOO-ADAWSYLGSA-N 2 0 339.886 3.331 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000564211646 316124521 /nfs/dbraw/zinc/12/45/21/316124521.db2.gz VBDROZPWDWCQEK-KXBFYZLASA-N 2 0 333.545 3.011 20 0 EGADRP O=C(Nc1ccn2ccnc2c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000564377308 316144179 /nfs/dbraw/zinc/14/41/79/316144179.db2.gz FZQNNMVMKDFAAH-GOSISDBHSA-N 2 0 349.438 3.120 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000564444858 316153436 /nfs/dbraw/zinc/15/34/36/316153436.db2.gz UNXGCZMLJKRKFP-OAGGEKHMSA-N 2 0 344.421 3.071 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000564847279 316216817 /nfs/dbraw/zinc/21/68/17/316216817.db2.gz ZKBNMZPQYAHKKA-FQEVSTJZSA-N 2 0 346.902 3.485 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000564970016 316239482 /nfs/dbraw/zinc/23/94/82/316239482.db2.gz HIDLXWMOQYSDTC-ZENOOKHLSA-N 2 0 326.868 3.113 20 0 EGADRP O[C@H](CCc1ccccc1)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000565594041 316344491 /nfs/dbraw/zinc/34/44/91/316344491.db2.gz OPWMXIPKTYAGLJ-JOCHJYFZSA-N 2 0 338.495 3.366 20 0 EGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000565813087 316372251 /nfs/dbraw/zinc/37/22/51/316372251.db2.gz SKCYSVVNCYRERS-ZCNNSNEGSA-N 2 0 344.499 3.040 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000567801906 316676660 /nfs/dbraw/zinc/67/66/60/316676660.db2.gz ADRYNYBWXHZPSB-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1nc(N2C[C@@H](N3CCOCC3)C[C@@H]2C)cc(C(C)(C)C)n1 ZINC000570232930 317025772 /nfs/dbraw/zinc/02/57/72/317025772.db2.gz GWTAYYDFFXIQBJ-HOTGVXAUSA-N 2 0 346.519 3.197 20 0 EGADRP CC(C)c1nc(N2C[C@H](N3CCOCC3)C[C@H]2C)cc(C(C)(C)C)n1 ZINC000570232931 317025872 /nfs/dbraw/zinc/02/58/72/317025872.db2.gz GWTAYYDFFXIQBJ-HZPDHXFCSA-N 2 0 346.519 3.197 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000570507527 317065729 /nfs/dbraw/zinc/06/57/29/317065729.db2.gz MSKIGJCYYILMHR-VLIAUNLRSA-N 2 0 349.478 3.454 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)c(SC)cc1OC ZINC000570569969 317074725 /nfs/dbraw/zinc/07/47/25/317074725.db2.gz IAYLYCONGUNCBQ-UHFFFAOYSA-N 2 0 332.469 3.174 20 0 EGADRP CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000570864442 317118489 /nfs/dbraw/zinc/11/84/89/317118489.db2.gz WGGZRIQHQAVRRR-HDICACEKSA-N 2 0 343.515 3.227 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000571526898 317212617 /nfs/dbraw/zinc/21/26/17/317212617.db2.gz NDSYIWIKNRWPIC-QAPCUYQASA-N 2 0 349.544 3.102 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000571770153 317245516 /nfs/dbraw/zinc/24/55/16/317245516.db2.gz MDWQFYWTNDCGCK-JTDSTZFVSA-N 2 0 326.488 3.488 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000571789567 317247974 /nfs/dbraw/zinc/24/79/74/317247974.db2.gz RRZLQTDFNQLFBF-DNVCBOLYSA-N 2 0 329.488 3.293 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000572009685 317279072 /nfs/dbraw/zinc/27/90/72/317279072.db2.gz WZAHSORUYMXPNB-STQMWFEESA-N 2 0 343.393 3.012 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)CC1 ZINC000572323953 317320172 /nfs/dbraw/zinc/32/01/72/317320172.db2.gz BFLXBECHMIBNEM-QGZVFWFLSA-N 2 0 338.442 3.494 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000572516456 317350238 /nfs/dbraw/zinc/35/02/38/317350238.db2.gz WJNSYWRDDXUHGC-KRWDZBQOSA-N 2 0 331.504 3.067 20 0 EGADRP C[C@@H]1CCC[C@@](CNC(=O)c2ccc(CC[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000572732887 317384723 /nfs/dbraw/zinc/38/47/23/317384723.db2.gz SZHYKSMAPFNFMJ-DYESRHJHSA-N 2 0 345.531 3.031 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000572733386 317384891 /nfs/dbraw/zinc/38/48/91/317384891.db2.gz YWXWOGGTWGJKLD-OALUTQOASA-N 2 0 341.455 3.060 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000177612186 323342679 /nfs/dbraw/zinc/34/26/79/323342679.db2.gz CVFFFRCHEGJYBE-LJQANCHMSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)cc2Cl)C[C@@H](C)O1 ZINC000178619882 323359039 /nfs/dbraw/zinc/35/90/39/323359039.db2.gz NZDYHPKCBXUCOR-ZIAGYGMSSA-N 2 0 328.859 3.458 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCSC)CC1 ZINC000181639064 323494078 /nfs/dbraw/zinc/49/40/78/323494078.db2.gz PHDFWECWHJPSHK-OAHLLOKOSA-N 2 0 339.524 3.371 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCNc3ccccc32)ccn1 ZINC000193058905 323830859 /nfs/dbraw/zinc/83/08/59/323830859.db2.gz MCYYIGLGLZNHLL-LJQANCHMSA-N 2 0 340.471 3.059 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379676220 324241257 /nfs/dbraw/zinc/24/12/57/324241257.db2.gz YWEYUNKLCLJVGH-NZSAHSFTSA-N 2 0 345.531 3.180 20 0 EGADRP CC[NH+]1CCC([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000381114732 324244574 /nfs/dbraw/zinc/24/45/74/324244574.db2.gz VRQDANRKZRKTEW-UHFFFAOYSA-N 2 0 347.503 3.285 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(I)cc1)C[NH+](C)C ZINC000383753555 324257559 /nfs/dbraw/zinc/25/75/59/324257559.db2.gz CNLHPHQKFGTENX-VXGBXAGGSA-N 2 0 346.256 3.140 20 0 EGADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386483751 324267653 /nfs/dbraw/zinc/26/76/53/324267653.db2.gz IUAOAMYNMGXKGU-DZFGPLHGSA-N 2 0 336.479 3.490 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000578994877 325046967 /nfs/dbraw/zinc/04/69/67/325046967.db2.gz VPLCYVAULHQCHF-SOUVJXGZSA-N 2 0 340.414 3.307 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000579129370 325067868 /nfs/dbraw/zinc/06/78/68/325067868.db2.gz WHCRCCNKRWHKCM-MOPGFXCFSA-N 3 0 327.472 3.271 20 0 EGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000579177874 325071778 /nfs/dbraw/zinc/07/17/78/325071778.db2.gz VFRPEGSBSYUVNM-UHFFFAOYSA-N 2 0 330.303 3.491 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cn2)c1 ZINC000579252002 325085274 /nfs/dbraw/zinc/08/52/74/325085274.db2.gz QCRAJMOSNPOKMC-HOTGVXAUSA-N 2 0 327.428 3.242 20 0 EGADRP CC(C)c1[nH+]c(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)c2ccccn21 ZINC000579482527 325117077 /nfs/dbraw/zinc/11/70/77/325117077.db2.gz WMRIHYDMTFZTTM-CVEARBPZSA-N 2 0 342.487 3.337 20 0 EGADRP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000580336163 325237546 /nfs/dbraw/zinc/23/75/46/325237546.db2.gz ASHVXHLXPNKYMK-VQIMIIECSA-N 2 0 331.504 3.093 20 0 EGADRP [NH3+]CCC[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000583683227 325543319 /nfs/dbraw/zinc/54/33/19/325543319.db2.gz YPNKJYQYZMRJFO-RTBURBONSA-N 2 0 325.456 3.063 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SC)C2)[C@@H](C)C1 ZINC000361523870 457769850 /nfs/dbraw/zinc/76/98/50/457769850.db2.gz HBIRCTAJMJCFQW-MLHJIOFPSA-N 2 0 328.566 3.387 20 0 EGADRP [NH3+]Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)o1 ZINC000237973076 455239612 /nfs/dbraw/zinc/23/96/12/455239612.db2.gz LTVHDGDMQLYUBM-UHFFFAOYSA-N 2 0 341.455 3.044 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000158137350 455273217 /nfs/dbraw/zinc/27/32/17/455273217.db2.gz CVUZJNMMLIHEBS-QWHCGFSZSA-N 2 0 328.403 3.289 20 0 EGADRP [NH3+]Cc1cn([C@@H]2CC[N@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000631845578 460579641 /nfs/dbraw/zinc/57/96/41/460579641.db2.gz FLHLWEGUSIGTHI-HXUWFJFHSA-N 2 0 339.487 3.232 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(Br)c1 ZINC000181700230 455374289 /nfs/dbraw/zinc/37/42/89/455374289.db2.gz BNZYZYAPKODFGB-LBPRGKRZSA-N 2 0 341.293 3.450 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[NH+](C)C2CCC2)C1 ZINC000075841559 453930853 /nfs/dbraw/zinc/93/08/53/453930853.db2.gz MSWFAHCHCPGRHV-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP C[N@H+](CCOc1cccc(C[NH2+]C2CCCC2)c1)C1CCOCC1 ZINC000076399883 453997297 /nfs/dbraw/zinc/99/72/97/453997297.db2.gz SKJFINGAIOUMMQ-UHFFFAOYSA-N 2 0 332.488 3.208 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc2)cs1 ZINC000068353147 454019491 /nfs/dbraw/zinc/01/94/91/454019491.db2.gz KZHGXFUPHZSCSD-AWEZNQCLSA-N 2 0 333.501 3.460 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCO2 ZINC000089214777 454127107 /nfs/dbraw/zinc/12/71/07/454127107.db2.gz INISUAFJLOWXKK-OAHLLOKOSA-N 2 0 339.439 3.378 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000057912597 454156095 /nfs/dbraw/zinc/15/60/95/454156095.db2.gz SNJHANJZZVDURK-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000089552078 454161566 /nfs/dbraw/zinc/16/15/66/454161566.db2.gz IZQURMMKYTYKMZ-UKRRQHHQSA-N 2 0 330.394 3.404 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627784 454169865 /nfs/dbraw/zinc/16/98/65/454169865.db2.gz SFDDCBIWOOHROP-JFIYKMOQSA-N 2 0 327.472 3.322 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669478 454175663 /nfs/dbraw/zinc/17/56/63/454175663.db2.gz PKAAOJGSUNCPFC-BFYDXBDKSA-N 2 0 344.528 3.456 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728346 454184055 /nfs/dbraw/zinc/18/40/55/454184055.db2.gz LRQBCJIKZYFKAG-DVOMOZLQSA-N 2 0 348.878 3.251 20 0 EGADRP CC(C)(C)OC(=O)NCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000119714858 454215266 /nfs/dbraw/zinc/21/52/66/454215266.db2.gz VZPSZUPSVUELQN-UHFFFAOYSA-N 2 0 339.524 3.288 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)s1 ZINC000095976747 454247366 /nfs/dbraw/zinc/24/73/66/454247366.db2.gz FXJFZUOZTKAPHQ-AWEZNQCLSA-N 2 0 330.501 3.054 20 0 EGADRP CC[N@H+](CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)C1CC1 ZINC000131873911 454294687 /nfs/dbraw/zinc/29/46/87/454294687.db2.gz LSYPCJRZAIGBFI-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090936898 454351115 /nfs/dbraw/zinc/35/11/15/454351115.db2.gz GYVQMBYFZLQUJF-CQSZACIVSA-N 2 0 325.522 3.032 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000090937262 454352921 /nfs/dbraw/zinc/35/29/21/454352921.db2.gz JGFSQVOQSPINCP-CQSZACIVSA-N 2 0 333.501 3.497 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000120887028 454360712 /nfs/dbraw/zinc/36/07/12/454360712.db2.gz LUQSLCLPADRBSD-CABCVRRESA-N 2 0 339.524 3.082 20 0 EGADRP CC(C)[NH+](CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000079121908 454371828 /nfs/dbraw/zinc/37/18/28/454371828.db2.gz YIWGVGDQVJWRND-SFHVURJKSA-N 2 0 340.556 3.059 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)CCO2 ZINC000132876115 454373673 /nfs/dbraw/zinc/37/36/73/454373673.db2.gz XDLKWZPSHOSDDE-UZLBHIALSA-N 2 0 344.499 3.163 20 0 EGADRP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000079303708 454394599 /nfs/dbraw/zinc/39/45/99/454394599.db2.gz CULKWAHOZCDZFM-ZWKOTPCHSA-N 2 0 345.531 3.265 20 0 EGADRP Brc1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197912 454396649 /nfs/dbraw/zinc/39/66/49/454396649.db2.gz RCYRSEPGLDFEMV-AWEZNQCLSA-N 2 0 329.307 3.475 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000121246704 454410326 /nfs/dbraw/zinc/41/03/26/454410326.db2.gz VFGRHEJOCXHZCI-NRFANRHFSA-N 2 0 346.515 3.107 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000121264215 454413965 /nfs/dbraw/zinc/41/39/65/454413965.db2.gz IZVCOHQXCKYYEW-DNVCBOLYSA-N 2 0 339.474 3.279 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000121306370 454419097 /nfs/dbraw/zinc/41/90/97/454419097.db2.gz IJEIGAPKQXMBTA-OALUTQOASA-N 2 0 347.547 3.398 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285162 454422547 /nfs/dbraw/zinc/42/25/47/454422547.db2.gz JZTRGKYDCAHFHW-NRFANRHFSA-N 2 0 347.547 3.400 20 0 EGADRP COc1ccccc1[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000091333346 454427204 /nfs/dbraw/zinc/42/72/04/454427204.db2.gz FNOKERHDSYZXCJ-LAUBAEHRSA-N 2 0 345.531 3.152 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000121443169 454435331 /nfs/dbraw/zinc/43/53/31/454435331.db2.gz JJFRXIAJNKOEDG-SNRMKQJTSA-N 2 0 341.430 3.367 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000133650964 454451256 /nfs/dbraw/zinc/45/12/56/454451256.db2.gz IZSQWDAIDZTJNK-XJKCOSOUSA-N 2 0 341.293 3.146 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000091734885 454464714 /nfs/dbraw/zinc/46/47/14/454464714.db2.gz QPBMCLASIBNUFV-KBPBESRZSA-N 2 0 325.522 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000048271512 454465938 /nfs/dbraw/zinc/46/59/38/454465938.db2.gz MUUPNGPQBZBZDN-CALCHBBNSA-N 2 0 349.519 3.219 20 0 EGADRP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121893634 454491356 /nfs/dbraw/zinc/49/13/56/454491356.db2.gz WZWKWSFIQOSFHJ-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1sc(NC(=O)CN2CCC(n3ccnc3)CC2)c(C)c1C ZINC000266769717 455450265 /nfs/dbraw/zinc/45/02/65/455450265.db2.gz WOXDDLRVIZVQKC-UHFFFAOYSA-N 2 0 332.473 3.145 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000092381264 454558163 /nfs/dbraw/zinc/55/81/63/454558163.db2.gz UENBEFNYMIVWSU-UHFFFAOYSA-N 2 0 341.293 3.318 20 0 EGADRP CC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000134600800 454566450 /nfs/dbraw/zinc/56/64/50/454566450.db2.gz JWRFCNCMWHCHHM-SLYNCCJLSA-N 2 0 343.515 3.030 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000104318531 454581661 /nfs/dbraw/zinc/58/16/61/454581661.db2.gz LIRJANQBTULQIA-LJQANCHMSA-N 2 0 329.488 3.138 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000104832653 454606820 /nfs/dbraw/zinc/60/68/20/454606820.db2.gz QMXWGESMYZEWBZ-GOSISDBHSA-N 2 0 345.531 3.495 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CC3 ZINC000123350916 454627541 /nfs/dbraw/zinc/62/75/41/454627541.db2.gz JVXPXRMFEPSEOI-OAGGEKHMSA-N 2 0 341.499 3.496 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000123531343 454648841 /nfs/dbraw/zinc/64/88/41/454648841.db2.gz BUGCUIBAZPRCCV-GMBSWORKSA-N 2 0 326.488 3.307 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003928 460646815 /nfs/dbraw/zinc/64/68/15/460646815.db2.gz FZAQXDFIYNAFBB-XNRPHZJLSA-N 2 0 325.294 3.487 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)CCCn1ccnc1 ZINC000124441708 454733289 /nfs/dbraw/zinc/73/32/89/454733289.db2.gz ARGDZUXEESVDAD-INIZCTEOSA-N 2 0 336.439 3.385 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000124462277 454736625 /nfs/dbraw/zinc/73/66/25/454736625.db2.gz QPFZTMZXOIMQOY-AWEZNQCLSA-N 2 0 341.902 3.403 20 0 EGADRP Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000635008929 460651845 /nfs/dbraw/zinc/65/18/45/460651845.db2.gz WJGXCDYJBUWADH-WBHUJUFNSA-N 2 0 329.469 3.358 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152977660 454749130 /nfs/dbraw/zinc/74/91/30/454749130.db2.gz VKOYWZVIPGRYMP-UKAVVXHISA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635010628 460654008 /nfs/dbraw/zinc/65/40/08/460654008.db2.gz UGLZPIYIXFBQNY-AEFFLSMTSA-N 2 0 348.560 3.035 20 0 EGADRP COc1ccc([C@H](CCC(C)C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162488717 454778731 /nfs/dbraw/zinc/77/87/31/454778731.db2.gz ZRUPRGUCFQBYBG-NRFANRHFSA-N 2 0 347.547 3.400 20 0 EGADRP CC(C)CCC1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000124906939 454781547 /nfs/dbraw/zinc/78/15/47/454781547.db2.gz FDYMAALNLKDVIB-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000162551524 454783295 /nfs/dbraw/zinc/78/32/95/454783295.db2.gz RVYKAQYPFJKMKF-NRFANRHFSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000162569018 454784813 /nfs/dbraw/zinc/78/48/13/454784813.db2.gz RKYSOKJBPFDNDR-MRXNPFEDSA-N 2 0 344.528 3.098 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163078382 454821830 /nfs/dbraw/zinc/82/18/30/454821830.db2.gz RBQDVUQIMXCYNB-UZLBHIALSA-N 2 0 334.504 3.219 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177253446 454843092 /nfs/dbraw/zinc/84/30/92/454843092.db2.gz PZFJRHOSHMXMMK-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000635013717 460655890 /nfs/dbraw/zinc/65/58/90/460655890.db2.gz VKHOHUYHZNUPHY-QWRGUYRKSA-N 2 0 326.400 3.107 20 0 EGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635011843 460656116 /nfs/dbraw/zinc/65/61/16/460656116.db2.gz IAMFJGWPAKNXHB-XSDIEEQYSA-N 2 0 327.516 3.080 20 0 EGADRP Cc1nccn1-c1ccc([C@H](C)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000126062088 454867725 /nfs/dbraw/zinc/86/77/25/454867725.db2.gz WMTJSJQNZZBFGP-LIRRHRJNSA-N 2 0 334.423 3.058 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019262 454872522 /nfs/dbraw/zinc/87/25/22/454872522.db2.gz XGCOPWXVXSUVBV-DBXWQHBBSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000164585864 454885558 /nfs/dbraw/zinc/88/55/58/454885558.db2.gz SVMQFZCKFOTYJF-KRWDZBQOSA-N 2 0 343.515 3.196 20 0 EGADRP CCCN(CC[NH+](C)C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000165368697 454899534 /nfs/dbraw/zinc/89/95/34/454899534.db2.gz YEOIQHSELXECNQ-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CN1C1CC1 ZINC000166315916 454910821 /nfs/dbraw/zinc/91/08/21/454910821.db2.gz CGALNZVALMOMKP-XAHBDIOTSA-N 2 0 339.483 3.034 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000166739114 454915362 /nfs/dbraw/zinc/91/53/62/454915362.db2.gz KVZQBBRIOAEGMY-IBGZPJMESA-N 2 0 325.456 3.209 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150978319 454921136 /nfs/dbraw/zinc/92/11/36/454921136.db2.gz HPPHBTICODELCO-SFHVURJKSA-N 2 0 347.547 3.398 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000168757486 454927422 /nfs/dbraw/zinc/92/74/22/454927422.db2.gz NODQOPQORXSORY-AEFFLSMTSA-N 2 0 331.504 3.012 20 0 EGADRP c1sc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1-c1ccncc1 ZINC000246474812 455496237 /nfs/dbraw/zinc/49/62/37/455496237.db2.gz QVOLFPDIGBJKLE-IRXDYDNUSA-N 2 0 342.512 3.354 20 0 EGADRP C[C@@H]1CCN(C(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000178840786 454983168 /nfs/dbraw/zinc/98/31/68/454983168.db2.gz VVIWRNLJLQBMKW-GOSISDBHSA-N 2 0 331.504 3.019 20 0 EGADRP COc1ccc(CC[N@H+](CC(C)C)CC2CC[NH2+]CC2)cc1OC ZINC000178973906 454994794 /nfs/dbraw/zinc/99/47/94/454994794.db2.gz JXFCZZJHFYLSJP-UHFFFAOYSA-N 2 0 334.504 3.204 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000171127003 455033272 /nfs/dbraw/zinc/03/32/72/455033272.db2.gz SHEFBWDJWFFMIP-OAHLLOKOSA-N 2 0 326.440 3.370 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000155718942 455035861 /nfs/dbraw/zinc/03/58/61/455035861.db2.gz JFMAWRULZYGGTP-QZTJIDSGSA-N 2 0 329.532 3.242 20 0 EGADRP Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)c(C[NH+](C)C)c1 ZINC000156447713 455119575 /nfs/dbraw/zinc/11/95/75/455119575.db2.gz OHQLLFUHIOPHLQ-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000623656203 460663210 /nfs/dbraw/zinc/66/32/10/460663210.db2.gz PAPZQBWTHBSNMR-KRWDZBQOSA-N 2 0 326.444 3.090 20 0 EGADRP CC(C)[NH+]1CCC(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000180404317 455164779 /nfs/dbraw/zinc/16/47/79/455164779.db2.gz IKCPEXAGPPQKTQ-KRWDZBQOSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237409214 455182758 /nfs/dbraw/zinc/18/27/58/455182758.db2.gz HZEZSIWLVYQJPN-OXQOHEQNSA-N 2 0 337.467 3.028 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237520684 455191096 /nfs/dbraw/zinc/19/10/96/455191096.db2.gz BIEUGLPFJADJJP-UWJYYQICSA-N 2 0 343.515 3.067 20 0 EGADRP COc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182958710 455199300 /nfs/dbraw/zinc/19/93/00/455199300.db2.gz RBYCIRJZWJXYNV-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2)C1 ZINC000237676315 455206609 /nfs/dbraw/zinc/20/66/09/455206609.db2.gz FYLHHFQCZYGMDW-AWEZNQCLSA-N 2 0 327.428 3.223 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CC2([NH3+])CCC2)C1 ZINC000237684878 455207417 /nfs/dbraw/zinc/20/74/17/455207417.db2.gz WZMCHRNFAIGAMT-CALCHBBNSA-N 2 0 343.515 3.052 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183440832 455292540 /nfs/dbraw/zinc/29/25/40/455292540.db2.gz TUFHYFJKTZPSSK-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000180640585 455216124 /nfs/dbraw/zinc/21/61/24/455216124.db2.gz YIXRUAXUTISQOW-YWZLYKJASA-N 2 0 328.431 3.243 20 0 EGADRP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000157662236 455218816 /nfs/dbraw/zinc/21/88/16/455218816.db2.gz GAPBTCWPVPUFOA-WAOWUJCRSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000158179323 455277910 /nfs/dbraw/zinc/27/79/10/455277910.db2.gz SUUJOKQMAXMTCY-BVYCBKJFSA-N 2 0 338.495 3.233 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000158188539 455278487 /nfs/dbraw/zinc/27/84/87/455278487.db2.gz KRAQWQDMWDNZRS-QGZVFWFLSA-N 2 0 335.923 3.236 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000245511714 455318482 /nfs/dbraw/zinc/31/84/82/455318482.db2.gz ZCFREHLRPSYVGJ-YVWKXTFCSA-N 2 0 329.532 3.407 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccncc1 ZINC000245513495 455318869 /nfs/dbraw/zinc/31/88/69/455318869.db2.gz CRQPEBZGWMFMSP-IAGOWNOFSA-N 2 0 325.456 3.153 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000183692023 455322260 /nfs/dbraw/zinc/32/22/60/455322260.db2.gz VJEMFSUQLQXNJK-MRXNPFEDSA-N 2 0 332.488 3.492 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798165 455330023 /nfs/dbraw/zinc/33/00/23/455330023.db2.gz ZYUKFANLFNWBFQ-HOCLYGCPSA-N 2 0 346.862 3.306 20 0 EGADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159153903 455355432 /nfs/dbraw/zinc/35/54/32/455355432.db2.gz VKGCKUMXIDBJQS-MOPGFXCFSA-N 2 0 330.520 3.138 20 0 EGADRP Cn1cc([C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000245935649 455402577 /nfs/dbraw/zinc/40/25/77/455402577.db2.gz JBEYWMAYBHFQRW-IPMKNSEASA-N 2 0 330.451 3.111 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000245989710 455410362 /nfs/dbraw/zinc/41/03/62/455410362.db2.gz QNPIHLBIRZJPER-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000191017221 455425305 /nfs/dbraw/zinc/42/53/05/455425305.db2.gz GYGZTPWMUZCNCC-INIZCTEOSA-N 2 0 332.410 3.460 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1)c1ccccc1 ZINC000601007946 460673388 /nfs/dbraw/zinc/67/33/88/460673388.db2.gz SNMKWTMQOCRZAY-PKOBYXMFSA-N 2 0 343.515 3.251 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000182258770 455474942 /nfs/dbraw/zinc/47/49/42/455474942.db2.gz FAEDGEPGQNIRNY-FPOVZHCZSA-N 2 0 340.442 3.169 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000246370654 455478597 /nfs/dbraw/zinc/47/85/97/455478597.db2.gz LQTXZHVSZFNDFV-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246440835 455490932 /nfs/dbraw/zinc/49/09/32/455490932.db2.gz NISPYSYNDAISMM-RXVVDRJESA-N 2 0 338.499 3.405 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246491723 455500279 /nfs/dbraw/zinc/50/02/79/455500279.db2.gz IJGAWIWUGQMYIK-DFQSSKMNSA-N 2 0 343.515 3.030 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000246497379 455501625 /nfs/dbraw/zinc/50/16/25/455501625.db2.gz SJUNJTYBJNLBKS-NJDAHSKKSA-N 2 0 344.499 3.040 20 0 EGADRP CC[NH+](CC)CCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000191819150 455523083 /nfs/dbraw/zinc/52/30/83/455523083.db2.gz IBKCHHLHUSBXTF-UHFFFAOYSA-N 3 0 332.536 3.352 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246913562 455535283 /nfs/dbraw/zinc/53/52/83/455535283.db2.gz FZSYLXUAIYJGIV-BBRMVZONSA-N 2 0 330.394 3.404 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000182630637 455556117 /nfs/dbraw/zinc/55/61/17/455556117.db2.gz BMLAMYJCKGTSJL-IEBWSBKVSA-N 2 0 346.515 3.261 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000247119845 455561538 /nfs/dbraw/zinc/56/15/38/455561538.db2.gz RAVWHMPNAXHMPI-CVEARBPZSA-N 2 0 344.503 3.353 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@@H+]1C1CC1 ZINC000267987092 455575538 /nfs/dbraw/zinc/57/55/38/455575538.db2.gz PMNHVRYJMMZTQJ-LPHOPBHVSA-N 2 0 341.499 3.028 20 0 EGADRP CC(=O)Nc1cccc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185693385 455598391 /nfs/dbraw/zinc/59/83/91/455598391.db2.gz GCZPSMNQYXNVPT-YJBOKZPZSA-N 2 0 329.488 3.388 20 0 EGADRP CCN(C(=O)[C@@H](C)N1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000247452057 455603059 /nfs/dbraw/zinc/60/30/59/455603059.db2.gz HNMHATSFPOCASC-QZTJIDSGSA-N 2 0 331.504 3.092 20 0 EGADRP COc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185758684 455615120 /nfs/dbraw/zinc/61/51/20/455615120.db2.gz ISOZWNCKUMYNII-IRXDYDNUSA-N 2 0 332.488 3.317 20 0 EGADRP CCN1CCC[C@@H]1C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993265 455620145 /nfs/dbraw/zinc/62/01/45/455620145.db2.gz HLBJOGQFJJCMSE-ZWKOTPCHSA-N 2 0 345.487 3.114 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000271425892 455632138 /nfs/dbraw/zinc/63/21/38/455632138.db2.gz ABHXMLXJIQTUQW-SLFFLAALSA-N 2 0 328.500 3.376 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000192517396 455635596 /nfs/dbraw/zinc/63/55/96/455635596.db2.gz ORSLRMUJYLMIDY-NRFANRHFSA-N 2 0 339.483 3.019 20 0 EGADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000192590572 455646656 /nfs/dbraw/zinc/64/66/56/455646656.db2.gz BKYBTCWXELHTKX-JXFKEZNVSA-N 2 0 328.456 3.426 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000284176069 455647191 /nfs/dbraw/zinc/64/71/91/455647191.db2.gz QUMBREYSRXJXHP-CABCVRRESA-N 2 0 345.466 3.103 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000247890596 455652529 /nfs/dbraw/zinc/65/25/29/455652529.db2.gz FGLJMFGZZARGPQ-JRGCBEDISA-N 2 0 345.531 3.152 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000271492131 455657979 /nfs/dbraw/zinc/65/79/79/455657979.db2.gz KNKNZYGXGWKBPZ-IPMKNSEASA-N 2 0 334.891 3.295 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000247946626 455658728 /nfs/dbraw/zinc/65/87/28/455658728.db2.gz HVJYAKLHDQNPAD-GHTZIAJQSA-N 3 0 329.532 3.492 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000247955736 455660704 /nfs/dbraw/zinc/66/07/04/455660704.db2.gz FNWWXOPLIGAUGL-SMDDNHRTSA-N 2 0 331.291 3.120 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@@H](C)C1 ZINC000247962815 455660842 /nfs/dbraw/zinc/66/08/42/455660842.db2.gz GKOABNYTRJIBHR-ZWKOTPCHSA-N 2 0 339.593 3.058 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000248062700 455677718 /nfs/dbraw/zinc/67/77/18/455677718.db2.gz YXFOXFIKUODBDI-PZBISTMVSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000248130961 455686070 /nfs/dbraw/zinc/68/60/70/455686070.db2.gz OKOMLOHBQZNPGB-HOCLYGCPSA-N 2 0 342.430 3.176 20 0 EGADRP C[C@@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268775878 455712581 /nfs/dbraw/zinc/71/25/81/455712581.db2.gz VTUWREHBNUHQLY-YLJYHZDGSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248394277 455712650 /nfs/dbraw/zinc/71/26/50/455712650.db2.gz FMENDGNLYWUOOC-OKZBNKHCSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000268888381 455719081 /nfs/dbraw/zinc/71/90/81/455719081.db2.gz JGFDOJSRHKSAEY-HXUWFJFHSA-N 2 0 337.511 3.360 20 0 EGADRP C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268908343 455726938 /nfs/dbraw/zinc/72/69/38/455726938.db2.gz HIJZTEZAOHNTBE-KRWDZBQOSA-N 2 0 334.504 3.220 20 0 EGADRP CCOc1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000268915710 455729345 /nfs/dbraw/zinc/72/93/45/455729345.db2.gz QAFROJQORZXPJF-UHFFFAOYSA-N 2 0 347.503 3.219 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000292782023 455756143 /nfs/dbraw/zinc/75/61/43/455756143.db2.gz PXZIMSWXZFFWFL-MRXNPFEDSA-N 2 0 331.460 3.170 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000268991328 455756655 /nfs/dbraw/zinc/75/66/55/455756655.db2.gz MLRKQTGGDQSMNB-OAHLLOKOSA-N 2 0 340.920 3.313 20 0 EGADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(=O)N1CCCC1 ZINC000284977939 455771821 /nfs/dbraw/zinc/77/18/21/455771821.db2.gz GANFBHRNPCPITF-KKXNLOMOSA-N 2 0 343.515 3.030 20 0 EGADRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OCCC(C)C ZINC000271859023 455789457 /nfs/dbraw/zinc/78/94/57/455789457.db2.gz VNKMNAGTRNFDCD-UHFFFAOYSA-N 2 0 332.488 3.472 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000186600388 455803142 /nfs/dbraw/zinc/80/31/42/455803142.db2.gz RTFANXRQXXWBLH-ROUUACIJSA-N 2 0 329.532 3.242 20 0 EGADRP CCn1cc(CC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000285236640 455810685 /nfs/dbraw/zinc/81/06/85/455810685.db2.gz YJDFTLZKPLAOCS-WGMWDUQUSA-N 2 0 340.515 3.192 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000278306527 455813054 /nfs/dbraw/zinc/81/30/54/455813054.db2.gz AVUUNSHHMKAHDY-OAQYLSRUSA-N 2 0 327.516 3.166 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)C[C@H](C)O1 ZINC000194193508 455813712 /nfs/dbraw/zinc/81/37/12/455813712.db2.gz DYSRMNBPRSBIPM-ZWOKBUDYSA-N 2 0 330.472 3.078 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616995208 460692410 /nfs/dbraw/zinc/69/24/10/460692410.db2.gz NAPUBBMUUQOJMD-MJGOQNOKSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000285336405 455826385 /nfs/dbraw/zinc/82/63/85/455826385.db2.gz CJTDEHUTTBDWHV-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP CCC(=O)N1CC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000285407325 455838458 /nfs/dbraw/zinc/83/84/58/455838458.db2.gz XNEZRYSNVPQTPL-IOJLRTSASA-N 2 0 343.515 3.030 20 0 EGADRP C[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]C1 ZINC000269373089 455845206 /nfs/dbraw/zinc/84/52/06/455845206.db2.gz YZGVZCXWHFHJQY-FQEVSTJZSA-N 2 0 329.488 3.043 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCOCC4)[C@@H]3C2)cc1 ZINC000285507990 455860910 /nfs/dbraw/zinc/86/09/10/455860910.db2.gz ALIYATOSSHTNKY-TYPHKJRUSA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000285633161 455885550 /nfs/dbraw/zinc/88/55/50/455885550.db2.gz LJDQCVRGBZBUCK-MRXNPFEDSA-N 2 0 327.476 3.038 20 0 EGADRP CCOC1CC(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000285644148 455888675 /nfs/dbraw/zinc/88/86/75/455888675.db2.gz RZAXPVNTPXUPAQ-XVAXZDLZSA-N 2 0 328.500 3.400 20 0 EGADRP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000272251438 455892618 /nfs/dbraw/zinc/89/26/18/455892618.db2.gz CCDHTKWMZBOXRB-FUHWJXTLSA-N 2 0 338.455 3.422 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744850 455908073 /nfs/dbraw/zinc/90/80/73/455908073.db2.gz YJDHPMPJUXZBRN-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccncc1C ZINC000296407227 455929565 /nfs/dbraw/zinc/92/95/65/455929565.db2.gz LVQXFGUVRYCCAG-UHFFFAOYSA-N 2 0 327.472 3.400 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CO2 ZINC000296444845 455939761 /nfs/dbraw/zinc/93/97/61/455939761.db2.gz MWCCPMCVFSQAPS-RYRKJORJSA-N 2 0 344.499 3.241 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285926242 455943275 /nfs/dbraw/zinc/94/32/75/455943275.db2.gz CQZQCEHGJCMQOL-CVEARBPZSA-N 2 0 345.487 3.036 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H]1C ZINC000280315054 455944920 /nfs/dbraw/zinc/94/49/20/455944920.db2.gz OYIIJQLSNQJLAU-UXPWSPDFSA-N 2 0 344.499 3.350 20 0 EGADRP Cc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1Cl ZINC000195439471 455959986 /nfs/dbraw/zinc/95/99/86/455959986.db2.gz YPWJVWLNOQEDPE-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261910009 455969664 /nfs/dbraw/zinc/96/96/64/455969664.db2.gz IVBBIKMTOBKBDK-XYPHTWIQSA-N 2 0 343.298 3.283 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262098297 455996747 /nfs/dbraw/zinc/99/67/47/455996747.db2.gz IJSJZXAZKPXTNI-HXUWFJFHSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)(CCCO)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272571086 455997659 /nfs/dbraw/zinc/99/76/59/455997659.db2.gz PBMYXTFLHJGBIP-HSALFYBXSA-N 2 0 330.516 3.285 20 0 EGADRP Cc1ccc2ccccc2c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272569969 455997693 /nfs/dbraw/zinc/99/76/93/455997693.db2.gz VFFCPDSVIUSTQQ-UHFFFAOYSA-N 2 0 325.500 3.218 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272657439 456027930 /nfs/dbraw/zinc/02/79/30/456027930.db2.gz LZJTYXRPFUMVBX-YTQUADARSA-N 2 0 328.456 3.122 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCSCCCO)CC1 ZINC000286365486 456034262 /nfs/dbraw/zinc/03/42/62/456034262.db2.gz ZIVFZVXHAVLTHG-UHFFFAOYSA-N 2 0 336.545 3.135 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000280768552 456048618 /nfs/dbraw/zinc/04/86/18/456048618.db2.gz DYRZNBFROIXDOG-UHFFFAOYSA-N 2 0 344.421 3.074 20 0 EGADRP COC(=O)c1cccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1Cl ZINC000296838024 456049946 /nfs/dbraw/zinc/04/99/46/456049946.db2.gz XAINYBURYOTEDS-SFHVURJKSA-N 2 0 336.863 3.044 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000262713900 456055214 /nfs/dbraw/zinc/05/52/14/456055214.db2.gz SVVZBJMJLRCJIN-VQIMIIECSA-N 2 0 331.504 3.284 20 0 EGADRP C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1Cl ZINC000272772247 456065725 /nfs/dbraw/zinc/06/57/25/456065725.db2.gz SWUUYZMQJIBRJC-YOEHRIQHSA-N 2 0 345.874 3.152 20 0 EGADRP C[C@H](CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000262893531 456066383 /nfs/dbraw/zinc/06/63/83/456066383.db2.gz ALWDKCDYCMMQLK-LLVKDONJSA-N 2 0 343.393 3.128 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263219956 456111663 /nfs/dbraw/zinc/11/16/63/456111663.db2.gz LSGJIHYSBLLATI-LMNJBCLMSA-N 2 0 343.515 3.017 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236635146 456161026 /nfs/dbraw/zinc/16/10/26/456161026.db2.gz DLTWOEBERZNDPW-PKOBYXMFSA-N 2 0 345.531 3.263 20 0 EGADRP CC(C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236657857 456163745 /nfs/dbraw/zinc/16/37/45/456163745.db2.gz VHZHSJMTAJSGGZ-PMACEKPBSA-N 2 0 345.531 3.339 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C(CC)(CC)C[NH3+])c1ccsc1 ZINC000236818123 456187109 /nfs/dbraw/zinc/18/71/09/456187109.db2.gz ZHZSOGQFVXAAPK-HNNXBMFYSA-N 2 0 325.522 3.012 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000289949667 456193241 /nfs/dbraw/zinc/19/32/41/456193241.db2.gz MCFIDQVKJPJVHN-DBVUQKKJSA-N 2 0 343.515 3.065 20 0 EGADRP C[NH+](C)CCCOc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000237108347 456233757 /nfs/dbraw/zinc/23/37/57/456233757.db2.gz DPTLLGRYYHMQGL-IBGZPJMESA-N 2 0 341.455 3.046 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000237153009 456239336 /nfs/dbraw/zinc/23/93/36/456239336.db2.gz CAUCERVRCDIREP-OAQYLSRUSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000342872604 456286515 /nfs/dbraw/zinc/28/65/15/456286515.db2.gz DLTFUNMSMOIBLJ-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCOC2)CC3)cc1 ZINC000342872540 456286758 /nfs/dbraw/zinc/28/67/58/456286758.db2.gz CKBIWOSTHIXVAD-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ncc(CN(C)C)s2)C1 ZINC000352767756 456289159 /nfs/dbraw/zinc/28/91/59/456289159.db2.gz CZFVKVLUDVUHAK-HZPDHXFCSA-N 2 0 338.565 3.052 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc2c(c1)C[NH2+]C2 ZINC000347679568 456301032 /nfs/dbraw/zinc/30/10/32/456301032.db2.gz YNRNAWBALCHJCV-UHFFFAOYSA-N 2 0 335.451 3.180 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCCC34CCCC4)ccn2)CC1 ZINC000340189593 456302609 /nfs/dbraw/zinc/30/26/09/456302609.db2.gz YBYNZCVQLIWFTA-LJQANCHMSA-N 2 0 342.531 3.426 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C[C@@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000342924129 456316739 /nfs/dbraw/zinc/31/67/39/456316739.db2.gz CVFWBXNFRGIYGP-HBMCJLEFSA-N 2 0 328.500 3.400 20 0 EGADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416356 456322135 /nfs/dbraw/zinc/32/21/35/456322135.db2.gz KJVWLOPVEUBVCW-MJGOQNOKSA-N 2 0 338.455 3.185 20 0 EGADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744141 456343996 /nfs/dbraw/zinc/34/39/96/456343996.db2.gz RJQQORZSXRWWCV-WIYYLYMNSA-N 2 0 329.532 3.348 20 0 EGADRP CSc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000352831539 456345951 /nfs/dbraw/zinc/34/59/51/456345951.db2.gz DUHNRAZXWJOZMX-INIZCTEOSA-N 2 0 348.537 3.326 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000347746807 456346989 /nfs/dbraw/zinc/34/69/89/456346989.db2.gz YTCRLORBLGOMBI-AZUAARDMSA-N 2 0 345.531 3.230 20 0 EGADRP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000298054999 456354952 /nfs/dbraw/zinc/35/49/52/456354952.db2.gz JGRSNNNNJIWJKZ-ZIAGYGMSSA-N 2 0 328.464 3.033 20 0 EGADRP CCc1cc(NC[C@H](C)C[NH+]2CCN(CC)CC2)c2ccccc2[nH+]1 ZINC000302669628 456371568 /nfs/dbraw/zinc/37/15/68/456371568.db2.gz NNEXOQBMDAIYMK-KRWDZBQOSA-N 2 0 340.515 3.483 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Br)nc1 ZINC000290597655 456378302 /nfs/dbraw/zinc/37/83/02/456378302.db2.gz GYMLYZNKNNYDBK-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]C3CC(C)(c4ccccc4)C3)CC2)CC1 ZINC000298245341 456401882 /nfs/dbraw/zinc/40/18/82/456401882.db2.gz CXYFQJCEAPGBOM-UHFFFAOYSA-N 2 0 341.543 3.255 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000343099939 456406223 /nfs/dbraw/zinc/40/62/23/456406223.db2.gz PBEGEMYTLNWHIM-INIZCTEOSA-N 2 0 331.504 3.065 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282093218 456410549 /nfs/dbraw/zinc/41/05/49/456410549.db2.gz IGBZVOLOJIFIMS-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCCC2)ncn1 ZINC000302862136 456418404 /nfs/dbraw/zinc/41/84/04/456418404.db2.gz VXAVOPLTMJSMQZ-SJLPKXTDSA-N 2 0 337.471 3.009 20 0 EGADRP C[N@@H+]1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC000340375982 456423566 /nfs/dbraw/zinc/42/35/66/456423566.db2.gz VCDCETLULIVDLA-WCHWRFHJSA-N 2 0 327.516 3.428 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000290973321 456483382 /nfs/dbraw/zinc/48/33/82/456483382.db2.gz QYLFXYYXHVWDNF-HNNXBMFYSA-N 2 0 345.487 3.345 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000353059496 456466529 /nfs/dbraw/zinc/46/65/29/456466529.db2.gz WNVXPLKHHFBRHZ-DEPWHIHDSA-N 2 0 328.500 3.364 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000348107782 456486987 /nfs/dbraw/zinc/48/69/87/456486987.db2.gz REYNVFMWVVGPPW-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP Cc1ccccc1O[C@@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298555196 456489620 /nfs/dbraw/zinc/48/96/20/456489620.db2.gz VFJFFVDIUYGGOO-KRWDZBQOSA-N 2 0 325.456 3.416 20 0 EGADRP CCOCc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298557678 456489714 /nfs/dbraw/zinc/48/97/14/456489714.db2.gz VPHPIKMWFPSIJJ-UHFFFAOYSA-N 2 0 325.456 3.377 20 0 EGADRP CN(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000298567596 456492382 /nfs/dbraw/zinc/49/23/82/456492382.db2.gz WQSRVFBEUPTQQE-HXUWFJFHSA-N 2 0 342.462 3.082 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000340523436 456508862 /nfs/dbraw/zinc/50/88/62/456508862.db2.gz DEHHOONHSPMSPJ-ICSRJNTNSA-N 2 0 328.504 3.408 20 0 EGADRP CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000305095726 456525622 /nfs/dbraw/zinc/52/56/22/456525622.db2.gz SDSRTXMZXONUQM-UTKZUKDTSA-N 2 0 347.547 3.104 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298914729 456568071 /nfs/dbraw/zinc/56/80/71/456568071.db2.gz NGINXDRKNZPNNG-HOTGVXAUSA-N 2 0 347.478 3.397 20 0 EGADRP CSC1(C[NH2+]Cc2cc(Br)cs2)CC[NH+](C)CC1 ZINC000353220094 456569101 /nfs/dbraw/zinc/56/91/01/456569101.db2.gz CDUVGTFFDOUGPN-UHFFFAOYSA-N 2 0 349.363 3.428 20 0 EGADRP Cc1cccc2nc(CN3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cn21 ZINC000348318796 456619471 /nfs/dbraw/zinc/61/94/71/456619471.db2.gz BHAIIARNJYPDAP-WOJBJXKFSA-N 2 0 346.478 3.207 20 0 EGADRP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000319994526 456625134 /nfs/dbraw/zinc/62/51/34/456625134.db2.gz FKPQMUFCJKTFNK-TXEJJXNPSA-N 2 0 330.806 3.373 20 0 EGADRP CC[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000340689538 456627316 /nfs/dbraw/zinc/62/73/16/456627316.db2.gz HTZJPTNPWNJJCP-SFHVURJKSA-N 2 0 347.528 3.048 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000348360064 456647726 /nfs/dbraw/zinc/64/77/26/456647726.db2.gz BYSWGCVVVYEKFG-RBUKOAKNSA-N 2 0 331.504 3.036 20 0 EGADRP CN(C)Cc1cnc(CN2CCC(F)(c3cccnc3)CC2)s1 ZINC000348360747 456647960 /nfs/dbraw/zinc/64/79/60/456647960.db2.gz QRNJNKHMJZIKPN-UHFFFAOYSA-N 2 0 334.464 3.061 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000326511440 456695115 /nfs/dbraw/zinc/69/51/15/456695115.db2.gz AOJHJFNPRHZBKG-CEXWTWQISA-N 2 0 331.504 3.093 20 0 EGADRP COC1(C[C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000277226719 456733209 /nfs/dbraw/zinc/73/32/09/456733209.db2.gz YHZZYGLQLYNPHK-KRWDZBQOSA-N 2 0 334.504 3.107 20 0 EGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000291725575 456734835 /nfs/dbraw/zinc/73/48/35/456734835.db2.gz NFJCDNDVDQQADM-RTWAWAEBSA-N 2 0 328.500 3.033 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1)C1CC1 ZINC000343606510 456738726 /nfs/dbraw/zinc/73/87/26/456738726.db2.gz UNWWPDNTGJOKRS-UHFFFAOYSA-N 2 0 343.515 3.166 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1)C(C)C ZINC000277244443 456740067 /nfs/dbraw/zinc/74/00/67/456740067.db2.gz JMIXSWMXTIHOSN-FQEVSTJZSA-N 2 0 345.531 3.473 20 0 EGADRP Clc1ccccc1N1CCN(CCCNc2ccccn2)CC1 ZINC000301103490 456796465 /nfs/dbraw/zinc/79/64/65/456796465.db2.gz ITPMAOQFOMVGSG-UHFFFAOYSA-N 2 0 330.863 3.359 20 0 EGADRP CSC1(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000353631428 456815943 /nfs/dbraw/zinc/81/59/43/456815943.db2.gz QFQRTQJESHEQCM-IBGZPJMESA-N 2 0 347.572 3.068 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[N@H+](Cc2ccccc2)C1 ZINC000344487363 456831360 /nfs/dbraw/zinc/83/13/60/456831360.db2.gz VIDYNMKKANAHQA-PBASOCQRSA-N 2 0 327.516 3.113 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC[NH+](C)CC1 ZINC000353651972 456831630 /nfs/dbraw/zinc/83/16/30/456831630.db2.gz VYROBYJOYUJMDB-AWEZNQCLSA-N 2 0 338.565 3.425 20 0 EGADRP CCOC(=O)c1coc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000353656164 456834588 /nfs/dbraw/zinc/83/45/88/456834588.db2.gz CTVLEPALPCGIKD-OAHLLOKOSA-N 2 0 343.427 3.094 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc21 ZINC000338687376 456853045 /nfs/dbraw/zinc/85/30/45/456853045.db2.gz OJUGGZZCYWHQGW-RTBURBONSA-N 2 0 332.488 3.488 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+](C2CCC2)C1 ZINC000344769837 456857489 /nfs/dbraw/zinc/85/74/89/456857489.db2.gz IODOKWSCFPRKQW-PXNSSMCTSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752089 456890264 /nfs/dbraw/zinc/89/02/64/456890264.db2.gz ZWTRDRUSUCXPFK-HOCLYGCPSA-N 2 0 336.476 3.017 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349246903 456922719 /nfs/dbraw/zinc/92/27/19/456922719.db2.gz YLAPVXMUHCTHJF-LNLFQRSKSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000353867875 456942609 /nfs/dbraw/zinc/94/26/09/456942609.db2.gz ORSGNAYGJIVESV-INIZCTEOSA-N 2 0 338.455 3.126 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000353953018 456977800 /nfs/dbraw/zinc/97/78/00/456977800.db2.gz XLCNNPGTDIKFCD-PKOBYXMFSA-N 2 0 348.535 3.017 20 0 EGADRP CC[C@@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@H+](C)Cc1ccccc1 ZINC000339288039 457043359 /nfs/dbraw/zinc/04/33/59/457043359.db2.gz UECFHCGRYLMFNP-FQEVSTJZSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+](CC)CC ZINC000359152253 457061154 /nfs/dbraw/zinc/06/11/54/457061154.db2.gz BUOYDPYOIBAHLS-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CCOc1cccc(CN(C)CC[C@@H]([NH3+])C(C)C)c1OC(F)F ZINC000346644926 457088149 /nfs/dbraw/zinc/08/81/49/457088149.db2.gz NQJFBYQRJOGMNB-CQSZACIVSA-N 2 0 330.419 3.492 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000346695345 457116625 /nfs/dbraw/zinc/11/66/25/457116625.db2.gz ZXBKBPPXICGKMC-UHFFFAOYSA-N 2 0 332.488 3.338 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[NH+]1CCCCC1 ZINC000354281166 457170350 /nfs/dbraw/zinc/17/03/50/457170350.db2.gz JJOPMEJXAZAWTF-RBUKOAKNSA-N 2 0 349.494 3.055 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000354293166 457177673 /nfs/dbraw/zinc/17/76/73/457177673.db2.gz ZSBLDWMHRKXJPT-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000359970150 457178789 /nfs/dbraw/zinc/17/87/89/457178789.db2.gz KUSYZRMGLRWTLL-YOEHRIQHSA-N 2 0 344.421 3.464 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCOC1 ZINC000356849507 457183534 /nfs/dbraw/zinc/18/35/34/457183534.db2.gz PNWIDYJQAJDLLT-IKVWTGGYSA-N 2 0 346.515 3.201 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000339681094 457209830 /nfs/dbraw/zinc/20/98/30/457209830.db2.gz DWSXYMBHFJWEGS-DLBZAZTESA-N 2 0 335.561 3.475 20 0 EGADRP CCc1ccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000342306410 457227704 /nfs/dbraw/zinc/22/77/04/457227704.db2.gz SSTWQATYRPRICC-UHFFFAOYSA-N 2 0 330.516 3.368 20 0 EGADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC4=CCCOC4)C3)C2)cc1 ZINC000360072291 457238737 /nfs/dbraw/zinc/23/87/37/457238737.db2.gz BGMXUZQWZJBESM-NRFANRHFSA-N 2 0 326.484 3.321 20 0 EGADRP CC[C@@H]1C[C@H](C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000356989069 457260979 /nfs/dbraw/zinc/26/09/79/457260979.db2.gz KVMSIRIFWUBLBK-RAUXBKROSA-N 2 0 338.536 3.013 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(OC(F)F)c1 ZINC000357060301 457303925 /nfs/dbraw/zinc/30/39/25/457303925.db2.gz YBJWQZZEJOHWJS-CQSZACIVSA-N 2 0 340.414 3.118 20 0 EGADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357088320 457315529 /nfs/dbraw/zinc/31/55/29/457315529.db2.gz RPWCTYWTMPZFES-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354861202 457325004 /nfs/dbraw/zinc/32/50/04/457325004.db2.gz MWRZOQOTGUJLRS-KDURUIRLSA-N 2 0 339.568 3.072 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000363448257 457332107 /nfs/dbraw/zinc/33/21/07/457332107.db2.gz FNXBMRDXHQXBHP-OAHLLOKOSA-N 2 0 332.879 3.151 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000352140954 457341642 /nfs/dbraw/zinc/34/16/42/457341642.db2.gz PHCJPQFDTUQDDB-RBUKOAKNSA-N 2 0 331.504 3.106 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000355411508 457371905 /nfs/dbraw/zinc/37/19/05/457371905.db2.gz MZBUGYFUZJOCSU-ZHALLVOQSA-N 2 0 331.504 3.059 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000342586644 457381353 /nfs/dbraw/zinc/38/13/53/457381353.db2.gz MZBGVDWCDNRBSF-ZCNNSNEGSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000363671324 457408640 /nfs/dbraw/zinc/40/86/40/457408640.db2.gz KZCVIGHMIHWOHY-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379674386 457417723 /nfs/dbraw/zinc/41/77/23/457417723.db2.gz UGRLTJVDIJIJHU-YSIASYRMSA-N 2 0 345.531 3.167 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000360944728 457451590 /nfs/dbraw/zinc/45/15/90/457451590.db2.gz AHCMFOZGLQVOIY-IBGZPJMESA-N 2 0 338.499 3.253 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c2cccs2)CC1 ZINC000342695176 457460628 /nfs/dbraw/zinc/46/06/28/457460628.db2.gz OYBKPRRTRMGMOG-GVDBMIGSSA-N 2 0 349.544 3.025 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000342699909 457464089 /nfs/dbraw/zinc/46/40/89/457464089.db2.gz WSIXUKYMHWVBGB-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@](O)(C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000393886140 457468108 /nfs/dbraw/zinc/46/81/08/457468108.db2.gz RXDTVSVVZPHQSA-IAGOWNOFSA-N 2 0 344.421 3.192 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000357384574 457485648 /nfs/dbraw/zinc/48/56/48/457485648.db2.gz FKXJMEFYQZSBBW-VQIMIIECSA-N 2 0 331.504 3.129 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000397918071 457491962 /nfs/dbraw/zinc/49/19/62/457491962.db2.gz JJNSHYOGJWQSGY-IEBWSBKVSA-N 2 0 347.503 3.155 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000356166933 457501630 /nfs/dbraw/zinc/50/16/30/457501630.db2.gz PCXIHCMGELHVCN-IBGZPJMESA-N 2 0 333.520 3.257 20 0 EGADRP CC(C)n1cncc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000425334893 457503470 /nfs/dbraw/zinc/50/34/70/457503470.db2.gz HPUCKHFAYDSBDK-HDICACEKSA-N 2 0 348.535 3.175 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400324873 457512475 /nfs/dbraw/zinc/51/24/75/457512475.db2.gz BDBCJCOGTHPLSV-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401010086 457521442 /nfs/dbraw/zinc/52/14/42/457521442.db2.gz RFBMAAWGIZQDSN-UWHLTILDSA-N 2 0 327.516 3.019 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]C/C=C\c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000352756191 457585028 /nfs/dbraw/zinc/58/50/28/457585028.db2.gz OXGNBBUSTJTDAQ-ILNYKDOHSA-N 2 0 338.442 3.457 20 0 EGADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000370526855 457665899 /nfs/dbraw/zinc/66/58/99/457665899.db2.gz GHIVZZOVZOJSIU-RTBURBONSA-N 2 0 349.519 3.298 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2n1 ZINC000370637620 457688628 /nfs/dbraw/zinc/68/86/28/457688628.db2.gz VDUNWHSRVVLKFS-FUHWJXTLSA-N 2 0 338.499 3.054 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)[C@H](C)C1 ZINC000370678581 457698732 /nfs/dbraw/zinc/69/87/32/457698732.db2.gz COUXISZHEXOBDB-CLCXKQKWSA-N 2 0 337.458 3.111 20 0 EGADRP CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000361485484 457747320 /nfs/dbraw/zinc/74/73/20/457747320.db2.gz NXPGVAGQEYQPQW-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccccc1[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)(C)C ZINC000433124534 457762022 /nfs/dbraw/zinc/76/20/22/457762022.db2.gz DCMOUGIYGCLJRK-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H](c1ccccc1Cl)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433170318 457769300 /nfs/dbraw/zinc/76/93/00/457769300.db2.gz VWLLMGUEILUJNR-AWEZNQCLSA-N 2 0 337.895 3.063 20 0 EGADRP O[C@@H](CNCc1ccc(Oc2cccc(F)c2)cc1)C[NH+]1CCCC1 ZINC000443959858 457829585 /nfs/dbraw/zinc/82/95/85/457829585.db2.gz FJWMYJIQDDBECV-SFHVURJKSA-N 2 0 344.430 3.164 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000371346528 457877539 /nfs/dbraw/zinc/87/75/39/457877539.db2.gz YERGUUULOICMTI-QGZVFWFLSA-N 2 0 333.495 3.377 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](CC(C)C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358257970 457893124 /nfs/dbraw/zinc/89/31/24/457893124.db2.gz VFPKITWITAIKBX-SJLPKXTDSA-N 2 0 340.895 3.092 20 0 EGADRP COC(=O)CC1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC000411474421 457898099 /nfs/dbraw/zinc/89/80/99/457898099.db2.gz BUQJCLRAXQUVEO-UHFFFAOYSA-N 2 0 330.472 3.248 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000358282302 457908676 /nfs/dbraw/zinc/90/86/76/457908676.db2.gz CEVQLKWSKZBTPN-PCCBWWKXSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516488 457909235 /nfs/dbraw/zinc/90/92/35/457909235.db2.gz KCTQVOQHOZCBBO-MJGOQNOKSA-N 2 0 349.563 3.316 20 0 EGADRP CC1(C)C[C@H]([NH2+]C/C=C\C[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000444633874 457923292 /nfs/dbraw/zinc/92/32/92/457923292.db2.gz FLPPOOGRAYGVRU-VNEPOGMYSA-N 2 0 338.536 3.414 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1C ZINC000411621726 457932413 /nfs/dbraw/zinc/93/24/13/457932413.db2.gz REUTXWOJJSPDHE-QFBILLFUSA-N 2 0 330.472 3.056 20 0 EGADRP C[C@H]1CC[S@](=O)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411640174 457936248 /nfs/dbraw/zinc/93/62/48/457936248.db2.gz VEZYYIFRNMMYLS-SBUREZEXSA-N 2 0 334.529 3.015 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000371510862 457969450 /nfs/dbraw/zinc/96/94/50/457969450.db2.gz OLWBSQRCTBDKDX-VQTJNVASSA-N 2 0 343.515 3.274 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358426409 457997316 /nfs/dbraw/zinc/99/73/16/457997316.db2.gz MSMHUCYYTAYQDN-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458358913 458023893 /nfs/dbraw/zinc/02/38/93/458023893.db2.gz NUAGZWGJSYMKFZ-KRWDZBQOSA-N 2 0 340.556 3.061 20 0 EGADRP Clc1cccc(Cl)c1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503894 458043558 /nfs/dbraw/zinc/04/35/58/458043558.db2.gz GAFFETMQFCSLSH-UHFFFAOYSA-N 2 0 329.271 3.448 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000358599569 458099851 /nfs/dbraw/zinc/09/98/51/458099851.db2.gz WEIGITVLNLHBMS-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP Cc1cnc([C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000428221682 458100678 /nfs/dbraw/zinc/10/06/78/458100678.db2.gz LFLDJMGVAKFGCG-KSZLIROESA-N 2 0 346.519 3.057 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000369184137 458115591 /nfs/dbraw/zinc/11/55/91/458115591.db2.gz PKJKTDZGXOHZSR-YFVAEKQCSA-N 2 0 327.516 3.113 20 0 EGADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435368807 458121110 /nfs/dbraw/zinc/12/11/10/458121110.db2.gz JDUNXXHGORWVOE-QGZVFWFLSA-N 2 0 347.466 3.105 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000435372831 458122849 /nfs/dbraw/zinc/12/28/49/458122849.db2.gz SRPAAGUJPNXAFP-PKOBYXMFSA-N 2 0 339.483 3.447 20 0 EGADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435383683 458130749 /nfs/dbraw/zinc/13/07/49/458130749.db2.gz IHQCVFMUPPBVQN-IBGZPJMESA-N 2 0 346.478 3.379 20 0 EGADRP CN(c1ccccc1C[N@H+](C)C[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000362369793 458130842 /nfs/dbraw/zinc/13/08/42/458130842.db2.gz TYCFHGCUDQTIKR-HXUWFJFHSA-N 2 0 345.531 3.218 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000435382163 458131273 /nfs/dbraw/zinc/13/12/73/458131273.db2.gz ZUCFDDOFRDXUTP-SXLOBPIMSA-N 2 0 337.467 3.316 20 0 EGADRP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435447267 458149787 /nfs/dbraw/zinc/14/97/87/458149787.db2.gz OKDLGNYGAUCVTJ-LJQANCHMSA-N 2 0 325.456 3.235 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000376000912 458157135 /nfs/dbraw/zinc/15/71/35/458157135.db2.gz RWXHVXGKYZFCCY-UHFFFAOYSA-N 2 0 348.487 3.020 20 0 EGADRP CCN(Cc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435627361 458175973 /nfs/dbraw/zinc/17/59/73/458175973.db2.gz QXXFPYGYPLUMJC-OAHLLOKOSA-N 2 0 334.851 3.354 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066199 458181662 /nfs/dbraw/zinc/18/16/62/458181662.db2.gz XLNWHJPYBVGDGF-DQLDELGASA-N 2 0 337.467 3.262 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000358758217 458197459 /nfs/dbraw/zinc/19/74/59/458197459.db2.gz PDVMBWATMAWHIC-IRXDYDNUSA-N 2 0 331.504 3.082 20 0 EGADRP CCOc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000362502611 458224192 /nfs/dbraw/zinc/22/41/92/458224192.db2.gz MNPGKIXNAOXJPP-FUHWJXTLSA-N 2 0 347.503 3.219 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000446763496 458225879 /nfs/dbraw/zinc/22/58/79/458225879.db2.gz WKQZOMGSNGGYTH-UHFFFAOYSA-N 2 0 349.950 3.498 20 0 EGADRP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000429053319 458267039 /nfs/dbraw/zinc/26/70/39/458267039.db2.gz KJRIYHJZKGBGFP-KRWDZBQOSA-N 2 0 337.895 3.475 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429183116 458288646 /nfs/dbraw/zinc/28/86/46/458288646.db2.gz DZZZJWCTUMFUGG-FQEVSTJZSA-N 2 0 331.504 3.164 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447541876 458307516 /nfs/dbraw/zinc/30/75/16/458307516.db2.gz NYVBPCMBRVABJK-RTWAWAEBSA-N 2 0 329.532 3.488 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000447569261 458313796 /nfs/dbraw/zinc/31/37/96/458313796.db2.gz OOLSVQDDUWIWKB-AWEZNQCLSA-N 2 0 341.499 3.441 20 0 EGADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000447594601 458319010 /nfs/dbraw/zinc/31/90/10/458319010.db2.gz ZYVSYXKYVGKAAH-OLZOCXBDSA-N 2 0 349.302 3.317 20 0 EGADRP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000372734848 458327969 /nfs/dbraw/zinc/32/79/69/458327969.db2.gz DDUKXHHGITVFHK-CTNGQTDRSA-N 2 0 333.564 3.469 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459324438 458329894 /nfs/dbraw/zinc/32/98/94/458329894.db2.gz KOMRSAJPPJTYEL-DLBZAZTESA-N 2 0 328.504 3.440 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000429521679 458340241 /nfs/dbraw/zinc/34/02/41/458340241.db2.gz NFPKKQIUFNGFFL-KXBFYZLASA-N 2 0 325.456 3.016 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000459368932 458347258 /nfs/dbraw/zinc/34/72/58/458347258.db2.gz ZZHMRMKWGBXXRR-UNMCSNQZSA-N 2 0 341.543 3.281 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1SC ZINC000459370957 458348022 /nfs/dbraw/zinc/34/80/22/458348022.db2.gz HVCFZHAZJFLELV-RZFLPCETSA-N 2 0 328.566 3.243 20 0 EGADRP Cc1ccccc1OCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459402997 458360034 /nfs/dbraw/zinc/36/00/34/458360034.db2.gz GOFYVJZLQAKMFC-UHFFFAOYSA-N 2 0 325.456 3.418 20 0 EGADRP CCC[N@H+](CCc1cncn1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000459420835 458364779 /nfs/dbraw/zinc/36/47/79/458364779.db2.gz GNFUQZXAWRGDQA-MRXNPFEDSA-N 2 0 328.460 3.010 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000376740193 458380137 /nfs/dbraw/zinc/38/01/37/458380137.db2.gz RESVXLVMFKVMSE-FQEVSTJZSA-N 2 0 346.515 3.456 20 0 EGADRP c1cc2c(cc1C[N@H+]1CCC[C@@H](CN3CCOCC3)C1)CCCC2 ZINC000430070785 458395039 /nfs/dbraw/zinc/39/50/39/458395039.db2.gz YMCOUTCRXLGBBS-IBGZPJMESA-N 2 0 328.500 3.110 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423464953 458436664 /nfs/dbraw/zinc/43/66/64/458436664.db2.gz WCGAZESZQGGELU-BLLLJJGKSA-N 2 0 325.294 3.487 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423457193 458435642 /nfs/dbraw/zinc/43/56/42/458435642.db2.gz HSZWBQGXHHEKMR-USXIJHARSA-N 2 0 327.476 3.052 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423479215 458439869 /nfs/dbraw/zinc/43/98/69/458439869.db2.gz URXZVRVCTCBCKK-HGJUEJDCSA-N 3 0 327.516 3.289 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423480409 458440003 /nfs/dbraw/zinc/44/00/03/458440003.db2.gz WBVUKDDJZNIZTC-AHJNKEMKSA-N 3 0 341.543 3.394 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(I)cc1 ZINC000423492161 458442748 /nfs/dbraw/zinc/44/27/48/458442748.db2.gz LYKPVWKWHPJJDZ-WDMOLILDSA-N 2 0 344.240 3.069 20 0 EGADRP [NH3+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C2CC3CC(C2)CC1C3 ZINC000423532169 458453764 /nfs/dbraw/zinc/45/37/64/458453764.db2.gz UYUHHHOQDTVBSH-AXFMOXGKSA-N 2 0 330.516 3.077 20 0 EGADRP C[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000423536258 458454559 /nfs/dbraw/zinc/45/45/59/458454559.db2.gz ZEOSPZHCSFITBE-KJJMTIBFSA-N 2 0 335.495 3.167 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccn2)cc1 ZINC000423550258 458455863 /nfs/dbraw/zinc/45/58/63/458455863.db2.gz STHJBIFDZMQSBT-QXOCSCLMSA-N 2 0 325.431 3.288 20 0 EGADRP Cc1ccc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)o1 ZINC000423572784 458457912 /nfs/dbraw/zinc/45/79/12/458457912.db2.gz OMTZDNLAFIHAOH-KRWDZBQOSA-N 2 0 327.472 3.232 20 0 EGADRP C[C@@](C[NH3+])([NH2+]CCOc1ccc(Cl)cc1Br)C1CC1 ZINC000430560485 458462695 /nfs/dbraw/zinc/46/26/95/458462695.db2.gz WNHRAQMXMPABCJ-AWEZNQCLSA-N 2 0 347.684 3.198 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000459744774 458466254 /nfs/dbraw/zinc/46/62/54/458466254.db2.gz XURMRAHZJKPNEJ-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP Cc1ccnc(N2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)c1 ZINC000437587535 458471201 /nfs/dbraw/zinc/47/12/01/458471201.db2.gz GXEOIEAKFIOGGL-UHFFFAOYSA-N 2 0 339.468 3.164 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616809 458472094 /nfs/dbraw/zinc/47/20/94/458472094.db2.gz HZIRCWHZFIVESH-LPHOPBHVSA-N 2 0 329.488 3.014 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000430618794 458472228 /nfs/dbraw/zinc/47/22/28/458472228.db2.gz WYPHJOVHIRBMKE-WFASDCNBSA-N 2 0 343.393 3.236 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C[NH2+]C)cc1)[N@H+](C)Cc1ccccc1 ZINC000423706129 458474666 /nfs/dbraw/zinc/47/46/66/458474666.db2.gz MCMRSFXPHBLQNW-LJQANCHMSA-N 2 0 325.456 3.255 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000459792560 458479999 /nfs/dbraw/zinc/47/99/99/458479999.db2.gz SKKZQXIHPBINOE-RDJZCZTQSA-N 2 0 334.504 3.265 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000459793819 458480108 /nfs/dbraw/zinc/48/01/08/458480108.db2.gz TZDSYUYMAXNYNC-CYBMUJFWSA-N 2 0 341.293 3.279 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423768129 458481002 /nfs/dbraw/zinc/48/10/02/458481002.db2.gz DXCNVKRFJQTZPQ-PKOBYXMFSA-N 2 0 329.488 3.171 20 0 EGADRP COc1ccccc1-n1nccc1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000430764864 458489802 /nfs/dbraw/zinc/48/98/02/458489802.db2.gz UHVZVTRHYBVBLW-KRWDZBQOSA-N 2 0 342.487 3.187 20 0 EGADRP CC(C)n1nccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373427133 458490556 /nfs/dbraw/zinc/49/05/56/458490556.db2.gz PDMVJSZDBXOOIK-ROUUACIJSA-N 2 0 348.535 3.175 20 0 EGADRP CC[C@@H](CN(CC)C(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000423854057 458498070 /nfs/dbraw/zinc/49/80/70/458498070.db2.gz UDPZKUMBNUJWGP-SFHVURJKSA-N 2 0 345.531 3.232 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[NH+]2CCCC2)o1 ZINC000430888837 458501833 /nfs/dbraw/zinc/50/18/33/458501833.db2.gz KCDXEPUUDSRKJN-KURKYZTESA-N 2 0 347.503 3.139 20 0 EGADRP C/C(=C\c1ccccc1)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633603 458506913 /nfs/dbraw/zinc/50/69/13/458506913.db2.gz VRGAQWCTNRZOCC-RHYRFBSLSA-N 2 0 327.516 3.190 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423909197 458511227 /nfs/dbraw/zinc/51/12/27/458511227.db2.gz UAURGCMCAIJFRZ-PKOBYXMFSA-N 2 0 345.531 3.168 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423912533 458512366 /nfs/dbraw/zinc/51/23/66/458512366.db2.gz WDWCUNUXCLQBGS-UFYCRDLUSA-N 2 0 343.515 3.017 20 0 EGADRP CCc1nc2cc(CNC(=O)c3ccc(C[NH3+])cc3)ccc2n1C1CC1 ZINC000423930653 458514458 /nfs/dbraw/zinc/51/44/58/458514458.db2.gz LBZRTROGIPGFIW-UHFFFAOYSA-N 2 0 348.450 3.322 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000438092635 458530437 /nfs/dbraw/zinc/53/04/37/458530437.db2.gz AADDZCQVTVVNRO-RTWAWAEBSA-N 2 0 328.500 3.401 20 0 EGADRP C[NH2+]CCCN(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000424016669 458538341 /nfs/dbraw/zinc/53/83/41/458538341.db2.gz CZEUFUPOLUFGJA-UHFFFAOYSA-N 2 0 339.483 3.000 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000438186843 458546802 /nfs/dbraw/zinc/54/68/02/458546802.db2.gz GEOKTVRXGXHVOQ-HXUWFJFHSA-N 2 0 346.515 3.074 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000461211277 458551330 /nfs/dbraw/zinc/55/13/30/458551330.db2.gz GTWOSPBAKOEZMM-AOIWGVFYSA-N 2 0 348.535 3.097 20 0 EGADRP [NH3+][C@@H](CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2)CC1CCCCC1 ZINC000424084385 458554359 /nfs/dbraw/zinc/55/43/59/458554359.db2.gz YEWBEMAXMDZWJS-SFHVURJKSA-N 2 0 329.488 3.349 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424139858 458568254 /nfs/dbraw/zinc/56/82/54/458568254.db2.gz FPCQUOORZKBJKT-MOPGFXCFSA-N 2 0 337.552 3.158 20 0 EGADRP [NH3+][C@H](CCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)CC1CCCCC1 ZINC000424181873 458578698 /nfs/dbraw/zinc/57/86/98/458578698.db2.gz YKIZFQVGINTWEL-QGZVFWFLSA-N 2 0 345.487 3.185 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424234224 458588698 /nfs/dbraw/zinc/58/86/98/458588698.db2.gz GNLOYYTVMIHBQA-IBGZPJMESA-N 2 0 325.456 3.475 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438544437 458595191 /nfs/dbraw/zinc/59/51/91/458595191.db2.gz IMYVKKJDGDKSHJ-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493941492 458603686 /nfs/dbraw/zinc/60/36/86/458603686.db2.gz LCZMICFKHAAOEK-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CCCc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000424301563 458609561 /nfs/dbraw/zinc/60/95/61/458609561.db2.gz XRIIZUHEDYWODC-INIZCTEOSA-N 2 0 340.471 3.133 20 0 EGADRP c1ccc(C(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2)cc1 ZINC000462386730 458616370 /nfs/dbraw/zinc/61/63/70/458616370.db2.gz GPANBBKXRVNXLR-JOCHJYFZSA-N 2 0 336.479 3.478 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455928083 458622517 /nfs/dbraw/zinc/62/25/17/458622517.db2.gz NVQKSAXHHQBSIW-KBXCAEBGSA-N 2 0 332.492 3.087 20 0 EGADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1OC ZINC000424368967 458626727 /nfs/dbraw/zinc/62/67/27/458626727.db2.gz AYMTYQIBTDMLIR-CYBMUJFWSA-N 2 0 338.879 3.321 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000424374145 458627273 /nfs/dbraw/zinc/62/72/73/458627273.db2.gz YQROMGLHQMVJRV-QZTJIDSGSA-N 2 0 339.886 3.303 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000424388055 458631287 /nfs/dbraw/zinc/63/12/87/458631287.db2.gz ZBUQSIJKZHMIGS-HOTGVXAUSA-N 2 0 334.479 3.477 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456309066 458636739 /nfs/dbraw/zinc/63/67/39/458636739.db2.gz JIAKRQWJIFPYLP-DNVCBOLYSA-N 2 0 329.488 3.439 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000439000818 458640991 /nfs/dbraw/zinc/64/09/91/458640991.db2.gz XGDVDMSODFTUMV-DOTOQJQBSA-N 2 0 347.503 3.425 20 0 EGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470717343 458644914 /nfs/dbraw/zinc/64/49/14/458644914.db2.gz IVKJEECWLOYKBH-QFIPXVFZSA-N 2 0 340.511 3.407 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000530025200 458657824 /nfs/dbraw/zinc/65/78/24/458657824.db2.gz PLMCSCDYAJHMQF-HXUWFJFHSA-N 2 0 341.499 3.029 20 0 EGADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000462826586 458659978 /nfs/dbraw/zinc/65/99/78/458659978.db2.gz QIQKBXZLEXUFSF-GJZGRUSLSA-N 2 0 347.890 3.396 20 0 EGADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000502721973 458666038 /nfs/dbraw/zinc/66/60/38/458666038.db2.gz HUHNWBMMZQAAON-CTNGQTDRSA-N 2 0 346.515 3.456 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000546722722 458666812 /nfs/dbraw/zinc/66/68/12/458666812.db2.gz QWEMGWCQWJYQHJ-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439464052 458706182 /nfs/dbraw/zinc/70/61/82/458706182.db2.gz CQWZSUZJTZQURN-SQGPQFPESA-N 2 0 336.520 3.305 20 0 EGADRP Clc1cccc2c1CC[C@@H]2[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240063 458727322 /nfs/dbraw/zinc/72/73/22/458727322.db2.gz KFJBKBITRFUXPV-KXBFYZLASA-N 2 0 334.891 3.418 20 0 EGADRP FC(F)(F)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530248844 458729966 /nfs/dbraw/zinc/72/99/66/458729966.db2.gz QKTGGDVUSDSTDQ-CYBMUJFWSA-N 2 0 348.434 3.357 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)CCCNC(=O)C3CCC3)CC2)C1 ZINC000432799700 458789117 /nfs/dbraw/zinc/78/91/17/458789117.db2.gz ZBVIKFSUNHWJPU-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000531051587 458863854 /nfs/dbraw/zinc/86/38/54/458863854.db2.gz ZJYGJQLHAHHUEA-UHFFFAOYSA-N 2 0 340.471 3.127 20 0 EGADRP CCc1cccc(Cl)c1C[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000474372571 458880900 /nfs/dbraw/zinc/88/09/00/458880900.db2.gz NAEDKNKXLAMLLL-INIZCTEOSA-N 2 0 337.939 3.266 20 0 EGADRP Cc1cccc(C)c1OCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441271433 458908724 /nfs/dbraw/zinc/90/87/24/458908724.db2.gz XYYAOJIVRPMKLX-SLFFLAALSA-N 2 0 346.515 3.256 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000519228295 458927101 /nfs/dbraw/zinc/92/71/01/458927101.db2.gz FWDGGUNYRVEONQ-GOSISDBHSA-N 2 0 345.531 3.482 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)CC(C)C ZINC000519354642 458937860 /nfs/dbraw/zinc/93/78/60/458937860.db2.gz FORGXZVQWKGMTK-QGZVFWFLSA-N 2 0 346.519 3.210 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000576943735 458953038 /nfs/dbraw/zinc/95/30/38/458953038.db2.gz VCHQMKLPYFELRC-KBPBESRZSA-N 2 0 328.378 3.016 20 0 EGADRP Cc1cnc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)nc1 ZINC000566619157 458970927 /nfs/dbraw/zinc/97/09/27/458970927.db2.gz AHZCUBJNSFKFED-IBGZPJMESA-N 2 0 336.483 3.114 20 0 EGADRP CCN(CCO)CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556573481 458974094 /nfs/dbraw/zinc/97/40/94/458974094.db2.gz KICSHNMOEGZHRX-IRXDYDNUSA-N 2 0 344.421 3.245 20 0 EGADRP C[N@@H+](Cc1c(F)cccc1OC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000556603333 458976589 /nfs/dbraw/zinc/97/65/89/458976589.db2.gz HYTJGUPHDSRLJO-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP C[N@H+](CCCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000495880142 458992014 /nfs/dbraw/zinc/99/20/14/458992014.db2.gz YABCVOKENXPVPX-UHFFFAOYSA-N 2 0 339.524 3.286 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000531899716 458996481 /nfs/dbraw/zinc/99/64/81/458996481.db2.gz MYJCWOVYRYMYIF-IEBWSBKVSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000531956683 459006973 /nfs/dbraw/zinc/00/69/73/459006973.db2.gz UAWJIHTXIMBAKG-OALUTQOASA-N 2 0 344.524 3.387 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000495950415 459015883 /nfs/dbraw/zinc/01/58/83/459015883.db2.gz ODSGJTYUNOXQFM-BZUAXINKSA-N 2 0 327.513 3.142 20 0 EGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566985351 459031663 /nfs/dbraw/zinc/03/16/63/459031663.db2.gz GMDNOGNJKVRRLR-AQNXPRMDSA-N 2 0 329.532 3.319 20 0 EGADRP CCCCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000532120002 459033632 /nfs/dbraw/zinc/03/36/32/459033632.db2.gz LBOMUBYZQOLIEB-UHFFFAOYSA-N 2 0 334.504 3.190 20 0 EGADRP CC(C)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000442864267 459047224 /nfs/dbraw/zinc/04/72/24/459047224.db2.gz CGHLGUCPOCJZGT-GOSISDBHSA-N 2 0 339.474 3.278 20 0 EGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc2c(s1)CCCC2 ZINC000442873676 459048243 /nfs/dbraw/zinc/04/82/43/459048243.db2.gz KYLAZLNCJNSUMY-HNNXBMFYSA-N 2 0 335.561 3.304 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442878030 459049957 /nfs/dbraw/zinc/04/99/57/459049957.db2.gz SBJZVRUSDGEXOL-SFHVURJKSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000577584699 459054234 /nfs/dbraw/zinc/05/42/34/459054234.db2.gz UCWGGOAFZOCZRD-ASOPQSNTSA-N 2 0 346.515 3.341 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000442893309 459057190 /nfs/dbraw/zinc/05/71/90/459057190.db2.gz XTTZTDICSDYRTK-HZPDHXFCSA-N 2 0 337.939 3.448 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1)c1cc2ccccc2o1 ZINC000443058134 459080046 /nfs/dbraw/zinc/08/00/46/459080046.db2.gz JLDQODDJVWEEOV-HRCADAONSA-N 2 0 343.471 3.059 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000532450339 459089619 /nfs/dbraw/zinc/08/96/19/459089619.db2.gz JWLCLDPDRNWACY-SFHVURJKSA-N 2 0 333.520 3.072 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000532450037 459089661 /nfs/dbraw/zinc/08/96/61/459089661.db2.gz GYQQOVPLBPDKKL-GOSISDBHSA-N 2 0 333.520 3.154 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000532516938 459105169 /nfs/dbraw/zinc/10/51/69/459105169.db2.gz SAHSWBUKCAGQFF-DXIQSLLYSA-N 2 0 338.495 3.405 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000532537893 459107456 /nfs/dbraw/zinc/10/74/56/459107456.db2.gz UMHFUDKYUQVQPU-UHFFFAOYSA-N 3 0 326.488 3.425 20 0 EGADRP Cc1cccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000567456308 459109479 /nfs/dbraw/zinc/10/94/79/459109479.db2.gz HZQLJXLITKWSQL-IAGOWNOFSA-N 2 0 326.444 3.009 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000496217431 459113276 /nfs/dbraw/zinc/11/32/76/459113276.db2.gz PSAUMABUXZBHOF-GVDBMIGSSA-N 2 0 339.524 3.238 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1NC(C)=O ZINC000577946784 459120986 /nfs/dbraw/zinc/12/09/86/459120986.db2.gz OQJPMNXUVOUFHE-RCCFBDPRSA-N 2 0 345.487 3.054 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000496254241 459126508 /nfs/dbraw/zinc/12/65/08/459126508.db2.gz MDJMDANNZSMECQ-CVEARBPZSA-N 2 0 344.459 3.260 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000496254242 459126575 /nfs/dbraw/zinc/12/65/75/459126575.db2.gz MDJMDANNZSMECQ-HOTGVXAUSA-N 2 0 344.459 3.260 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000578050562 459137830 /nfs/dbraw/zinc/13/78/30/459137830.db2.gz DUGFYQABLCBZIK-FQEVSTJZSA-N 2 0 336.483 3.307 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000558419330 459156807 /nfs/dbraw/zinc/15/68/07/459156807.db2.gz NPDQJSCAAMRJFB-FQEVSTJZSA-N 2 0 331.548 3.465 20 0 EGADRP FC(F)(F)c1cccc(OCCCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479756531 459165295 /nfs/dbraw/zinc/16/52/95/459165295.db2.gz OQRNHRUAJHDDPZ-OKILXGFUSA-N 2 0 328.378 3.016 20 0 EGADRP COC1(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCCCC1 ZINC000480368631 459196428 /nfs/dbraw/zinc/19/64/28/459196428.db2.gz DLBWHOXANWXFCW-FQEVSTJZSA-N 2 0 330.516 3.490 20 0 EGADRP CCN(C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786728 459218719 /nfs/dbraw/zinc/21/87/19/459218719.db2.gz KKMIJCKYVTZYDF-SFHVURJKSA-N 2 0 345.531 3.480 20 0 EGADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496580430 459246272 /nfs/dbraw/zinc/24/62/72/459246272.db2.gz CIKIQSBCOWDUJH-LTIDMASMSA-N 2 0 339.524 3.142 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496580435 459246664 /nfs/dbraw/zinc/24/66/64/459246664.db2.gz CIKIQSBCOWDUJH-LUKYLMHMSA-N 2 0 339.524 3.142 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568249309 459257841 /nfs/dbraw/zinc/25/78/41/459257841.db2.gz NLNBEXATICNCFI-HUUCEWRRSA-N 2 0 341.293 3.250 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496639575 459268998 /nfs/dbraw/zinc/26/89/98/459268998.db2.gz KDOSCYGPZOISKC-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000568383901 459278757 /nfs/dbraw/zinc/27/87/57/459278757.db2.gz NYYZZHAUYXTITO-QGZVFWFLSA-N 2 0 344.421 3.321 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000560251780 459315378 /nfs/dbraw/zinc/31/53/78/459315378.db2.gz SYGRVRBTWOUWSY-FCHUYYIVSA-N 2 0 343.559 3.178 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000534332154 459315966 /nfs/dbraw/zinc/31/59/66/459315966.db2.gz OCGFYAZMEGLVAV-UHFFFAOYSA-N 2 0 345.535 3.021 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CC2(OC)CCCCC2)CC1 ZINC000483261744 459355089 /nfs/dbraw/zinc/35/50/89/459355089.db2.gz SXWRTNOATBXLPB-UHFFFAOYSA-N 2 0 340.552 3.406 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000496877045 459355385 /nfs/dbraw/zinc/35/53/85/459355385.db2.gz SVGNIHHYCSOTPA-PMPSAXMXSA-N 2 0 339.524 3.285 20 0 EGADRP CC(C)C[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)NC(=O)OC(C)(C)C ZINC000496918589 459370687 /nfs/dbraw/zinc/37/06/87/459370687.db2.gz FMYSOEYKSGGPED-SJORKVTESA-N 2 0 341.540 3.246 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000483736847 459388063 /nfs/dbraw/zinc/38/80/63/459388063.db2.gz SUBGUJQCHCLRQT-MSOLQXFVSA-N 2 0 340.556 3.013 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Cl)cc4c3OCC4)C2)CC1 ZINC000582718527 459414613 /nfs/dbraw/zinc/41/46/13/459414613.db2.gz PNBKYGLZIGOTCE-INIZCTEOSA-N 2 0 334.891 3.439 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC12CCOCC2 ZINC000582725148 459417358 /nfs/dbraw/zinc/41/73/58/459417358.db2.gz GSMZXJOPFHWDKV-OAHLLOKOSA-N 2 0 345.874 3.076 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907109 459434301 /nfs/dbraw/zinc/43/43/01/459434301.db2.gz IVEBORUPYDAFHO-BZSNNMDCSA-N 2 0 325.541 3.122 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907120 459434443 /nfs/dbraw/zinc/43/44/43/459434443.db2.gz IVEBORUPYDAFHO-SQNIBIBYSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000561476021 459456011 /nfs/dbraw/zinc/45/60/11/459456011.db2.gz HRRPDYZNGUMGDJ-MMKMLUHNSA-N 2 0 329.532 3.184 20 0 EGADRP CC1(C)CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000541544138 459464310 /nfs/dbraw/zinc/46/43/10/459464310.db2.gz QOLGLZSRUNPHTL-MOPGFXCFSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541882161 459505760 /nfs/dbraw/zinc/50/57/60/459505760.db2.gz GVTHGCIZQVUWNG-OAHLLOKOSA-N 2 0 344.503 3.353 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000562039373 459506056 /nfs/dbraw/zinc/50/60/56/459506056.db2.gz GTJIKUCWWLDKAO-XGUBFFRZSA-N 2 0 336.442 3.442 20 0 EGADRP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000497314533 459525022 /nfs/dbraw/zinc/52/50/22/459525022.db2.gz YDESCDAPGOKPCL-GOSISDBHSA-N 2 0 345.531 3.457 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527035289 459579492 /nfs/dbraw/zinc/57/94/92/459579492.db2.gz OXUVIAVGCMZTPX-UHFFFAOYSA-N 2 0 325.447 3.130 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542701805 459583842 /nfs/dbraw/zinc/58/38/42/459583842.db2.gz LCQXFOMUEZARAJ-XFHJGTJQSA-N 2 0 338.442 3.411 20 0 EGADRP Cc1nc2cc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)ccc2n1C1CC1 ZINC000572898710 459592105 /nfs/dbraw/zinc/59/21/05/459592105.db2.gz IEKFSRWNVDBSPI-KBPBESRZSA-N 2 0 340.471 3.169 20 0 EGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000584101130 459654922 /nfs/dbraw/zinc/65/49/22/459654922.db2.gz NIGDDALBYHBJIQ-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000584225914 459685803 /nfs/dbraw/zinc/68/58/03/459685803.db2.gz JRMIQHYFQRPCDP-PWRODBHTSA-N 2 0 329.532 3.265 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1 ZINC000562987619 459686653 /nfs/dbraw/zinc/68/66/53/459686653.db2.gz TYEXQMBRPYOUNW-LAUBAEHRSA-N 2 0 326.484 3.393 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC000563060445 459707674 /nfs/dbraw/zinc/70/76/74/459707674.db2.gz GMBSMFWRCSISDG-USXIJHARSA-N 2 0 337.533 3.155 20 0 EGADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000563064525 459707994 /nfs/dbraw/zinc/70/79/94/459707994.db2.gz MRQSHNQKMMYAPI-UZLBHIALSA-N 2 0 343.515 3.065 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCC(C3CCC3)CC2)CC[NH2+]CC1 ZINC000596655764 459715704 /nfs/dbraw/zinc/71/57/04/459715704.db2.gz YVVHSUJKIRGMKG-ZLPCBKJTSA-N 2 0 336.520 3.256 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000573712704 459724051 /nfs/dbraw/zinc/72/40/51/459724051.db2.gz HSHNUZFRDUCEAR-MRXNPFEDSA-N 2 0 344.421 3.071 20 0 EGADRP Fc1ccc(-c2cnc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000563150081 459724659 /nfs/dbraw/zinc/72/46/59/459724659.db2.gz AMNVEDRDWPTYHD-INIZCTEOSA-N 2 0 329.419 3.302 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584503443 459754291 /nfs/dbraw/zinc/75/42/91/459754291.db2.gz KTPHTCQCCGONSO-FQEVSTJZSA-N 2 0 345.531 3.137 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544578709 459770222 /nfs/dbraw/zinc/77/02/22/459770222.db2.gz DGYOJWCFKZIAGV-HINLZNOGSA-N 2 0 333.564 3.207 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1-c1cc(C)ccc1C ZINC000584584766 459772260 /nfs/dbraw/zinc/77/22/60/459772260.db2.gz QMYCSYHPKKGROT-INIZCTEOSA-N 2 0 326.488 3.448 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 ZINC000574053574 459774104 /nfs/dbraw/zinc/77/41/04/459774104.db2.gz NGZJBYDOLGBYIU-PKOBYXMFSA-N 2 0 341.430 3.438 20 0 EGADRP O[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000574280908 459801987 /nfs/dbraw/zinc/80/19/87/459801987.db2.gz NMIBFPNIQZNCQP-HBMCJLEFSA-N 2 0 328.500 3.136 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)c1 ZINC000566411725 459860638 /nfs/dbraw/zinc/86/06/38/459860638.db2.gz JGTREQKMDNGZNC-ZWKOTPCHSA-N 2 0 343.858 3.001 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000546016885 459889072 /nfs/dbraw/zinc/88/90/72/459889072.db2.gz QBUBMFOCTPASLE-HDICACEKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000593723572 459963627 /nfs/dbraw/zinc/96/36/27/459963627.db2.gz YNFFOBXLIKVFTL-PLMTUMEDSA-N 2 0 346.515 3.358 20 0 EGADRP Cc1cccc(OCC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000588710066 459974096 /nfs/dbraw/zinc/97/40/96/459974096.db2.gz GYTFJPAFXFIAQA-RTBURBONSA-N 2 0 346.515 3.195 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000621642080 459994178 /nfs/dbraw/zinc/99/41/78/459994178.db2.gz CUJZHHXSVXBJLU-LJQANCHMSA-N 2 0 343.515 3.433 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614255199 460070179 /nfs/dbraw/zinc/07/01/79/460070179.db2.gz OZCDAVJLIOHQLO-CQSZACIVSA-N 2 0 326.444 3.352 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCCC[NH2+]3)cc2)CC1 ZINC000576640008 460183189 /nfs/dbraw/zinc/18/31/89/460183189.db2.gz NIFDNUFCIZVJRT-IBGZPJMESA-N 2 0 329.488 3.389 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000576811664 460217569 /nfs/dbraw/zinc/21/75/69/460217569.db2.gz KKPOUFHCUDQLCB-HOTGVXAUSA-N 2 0 349.485 3.361 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000576816728 460218929 /nfs/dbraw/zinc/21/89/29/460218929.db2.gz HDUQUIPBTFWGQV-INIZCTEOSA-N 2 0 335.467 3.112 20 0 EGADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000618986335 460243819 /nfs/dbraw/zinc/24/38/19/460243819.db2.gz YJYMAPQAESVIFZ-SFHVURJKSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cc(C)c(OC)cc3C)C2)CC1 ZINC000614962714 460253766 /nfs/dbraw/zinc/25/37/66/460253766.db2.gz FAYMOHYZCGJLTF-MOPGFXCFSA-N 2 0 345.531 3.085 20 0 EGADRP FC1(F)CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000625772093 460257876 /nfs/dbraw/zinc/25/78/76/460257876.db2.gz MXUQWGYCHYVLDE-UHFFFAOYSA-N 2 0 337.458 3.320 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000623068125 460402701 /nfs/dbraw/zinc/40/27/01/460402701.db2.gz UKLZLALWNGDDFG-IBGZPJMESA-N 2 0 340.471 3.350 20 0 EGADRP Cc1cc(C)c([C@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000604389354 460418128 /nfs/dbraw/zinc/41/81/28/460418128.db2.gz ZKEDRZZDTZRQOV-PMACEKPBSA-N 2 0 329.532 3.385 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(OC)ccc32)[C@H](C)C1 ZINC000631579930 460455771 /nfs/dbraw/zinc/45/57/71/460455771.db2.gz CRNMNESNZWNUIM-CZAAIQMYSA-N 2 0 346.515 3.409 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000631665027 460499957 /nfs/dbraw/zinc/49/99/57/460499957.db2.gz UOFUUBXVVYDSSU-NQIIRXRSSA-N 2 0 341.543 3.219 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000631666088 460500013 /nfs/dbraw/zinc/50/00/13/460500013.db2.gz ZUGPANOOWPIWQN-YVWKXTFCSA-N 2 0 338.499 3.155 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668097 460501966 /nfs/dbraw/zinc/50/19/66/460501966.db2.gz VLLBEXFSZAOWRJ-LQWHRVPQSA-N 3 0 329.532 3.074 20 0 EGADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H](O)C(F)(F)F ZINC000631716192 460528550 /nfs/dbraw/zinc/52/85/50/460528550.db2.gz JQFPPZXBBVHZAG-YJNKEBTESA-N 2 0 344.421 3.331 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000629535008 460799313 /nfs/dbraw/zinc/79/93/13/460799313.db2.gz BSSCTNOQAMEACD-GHTZIAJQSA-N 2 0 345.531 3.486 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000629537633 460799848 /nfs/dbraw/zinc/79/98/48/460799848.db2.gz KKUQRDNCGKFVAI-AZUAARDMSA-N 2 0 331.504 3.232 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000629543841 460802657 /nfs/dbraw/zinc/80/26/57/460802657.db2.gz FTRYHLQJNGHHQK-PESDSKBTSA-N 2 0 325.859 3.165 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351303 460825000 /nfs/dbraw/zinc/82/50/00/460825000.db2.gz IMPAZOWLEJVRCE-QZTJIDSGSA-N 2 0 331.504 3.059 20 0 EGADRP C[N@H+](CCOCC[NH3+])Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000629667125 460857575 /nfs/dbraw/zinc/85/75/75/460857575.db2.gz URNXVGCVOVLBIZ-UHFFFAOYSA-N 2 0 336.382 3.164 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000624119672 460868450 /nfs/dbraw/zinc/86/84/50/460868450.db2.gz GVHOZSITUICRGH-AEFFLSMTSA-N 2 0 331.504 3.342 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122152 460870946 /nfs/dbraw/zinc/87/09/46/460870946.db2.gz KWWNGLFBTYYWEE-MSOLQXFVSA-N 2 0 334.504 3.346 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CC3 ZINC000624121838 460870969 /nfs/dbraw/zinc/87/09/69/460870969.db2.gz DPIPUGPHHNRIHP-JKSUJKDBSA-N 2 0 341.499 3.355 20 0 EGADRP C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000624123547 460872052 /nfs/dbraw/zinc/87/20/52/460872052.db2.gz NWEWRPGQZUGOFD-STQMWFEESA-N 2 0 326.282 3.227 20 0 EGADRP Cc1csc([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662260180 461148139 /nfs/dbraw/zinc/14/81/39/461148139.db2.gz IXZHJLRUDJLVJE-QGZVFWFLSA-N 2 0 327.497 3.477 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2OC(F)F)C1 ZINC000652361973 461155022 /nfs/dbraw/zinc/15/50/22/461155022.db2.gz UZRXYDXXDGYEQL-HLLBOEOZSA-N 2 0 340.414 3.149 20 0 EGADRP Cn1cncc1CCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662269981 461157170 /nfs/dbraw/zinc/15/71/70/461157170.db2.gz FVFFDOKJCSJIBL-TZIWHRDSSA-N 2 0 340.515 3.025 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)on2)cc1 ZINC000662283818 461165004 /nfs/dbraw/zinc/16/50/04/461165004.db2.gz QDPDVYJYNXKUDC-OAHLLOKOSA-N 2 0 341.455 3.314 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000662290235 461168608 /nfs/dbraw/zinc/16/86/08/461168608.db2.gz BLJMXJUTCGOSNR-DOTOQJQBSA-N 2 0 347.478 3.173 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646382912 461225381 /nfs/dbraw/zinc/22/53/81/461225381.db2.gz VXWXBVQCMFEJCC-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000638100768 461239817 /nfs/dbraw/zinc/23/98/17/461239817.db2.gz MHBJWTHZGXYFRD-VQIMIIECSA-N 2 0 331.504 3.092 20 0 EGADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc2c(c1)C[NH2+]C2 ZINC000646408836 461242601 /nfs/dbraw/zinc/24/26/01/461242601.db2.gz MGTFDVJUXVPCEV-NRFANRHFSA-N 2 0 349.478 3.247 20 0 EGADRP Cc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)c(C[NH+](C)C)c1 ZINC000662459726 461251958 /nfs/dbraw/zinc/25/19/58/461251958.db2.gz KSBOBGCFTFBYSS-UHFFFAOYSA-N 2 0 329.469 3.016 20 0 EGADRP CC[N@@H+](Cc1ccc(=O)[nH]c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638138404 461266973 /nfs/dbraw/zinc/26/69/73/461266973.db2.gz AIDBSWLZOIJKDI-LJQANCHMSA-N 2 0 325.456 3.131 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc2c1C[NH2+]C2 ZINC000662526314 461281781 /nfs/dbraw/zinc/28/17/81/461281781.db2.gz CBVAJMMZFSFSRC-UHFFFAOYSA-N 2 0 335.451 3.180 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662536149 461285186 /nfs/dbraw/zinc/28/51/86/461285186.db2.gz VZOYXEFTLZZOKI-LJQANCHMSA-N 2 0 345.531 3.259 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000668511269 461309147 /nfs/dbraw/zinc/30/91/47/461309147.db2.gz DXZXWJJKMBOHML-RBUKOAKNSA-N 2 0 333.545 3.413 20 0 EGADRP C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@@H]1CCC[NH3+] ZINC000659375806 461320356 /nfs/dbraw/zinc/32/03/56/461320356.db2.gz PEPDLWMBHLAAJG-XFQXTVEOSA-N 2 0 343.515 3.045 20 0 EGADRP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662698426 461352266 /nfs/dbraw/zinc/35/22/66/461352266.db2.gz MFFGVTZFNTXHQS-IBGZPJMESA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000641770736 461364301 /nfs/dbraw/zinc/36/43/01/461364301.db2.gz CBEMCZVLZMXAQC-SFTDATJTSA-N 2 0 329.532 3.389 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CS1 ZINC000638335619 461374940 /nfs/dbraw/zinc/37/49/40/461374940.db2.gz QECGENRIGWMILH-OLMMMNRUSA-N 2 0 334.529 3.279 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CS1 ZINC000638335613 461375641 /nfs/dbraw/zinc/37/56/41/461375641.db2.gz QECGENRIGWMILH-JEWRLFTDSA-N 2 0 334.529 3.279 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCOC1 ZINC000638363302 461388840 /nfs/dbraw/zinc/38/88/40/461388840.db2.gz LAYDEXDAFPNHIG-JRGCBEDISA-N 2 0 346.515 3.060 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871462 461393571 /nfs/dbraw/zinc/39/35/71/461393571.db2.gz KFLSILMYCRNNOI-UHFFFAOYSA-N 2 0 335.517 3.155 20 0 EGADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398063 /nfs/dbraw/zinc/39/80/63/461398063.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 2 0 327.516 3.286 20 0 EGADRP COCCc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000631042626 461496437 /nfs/dbraw/zinc/49/64/37/461496437.db2.gz KHDKKJCUOXDLPV-HZPDHXFCSA-N 2 0 339.549 3.180 20 0 EGADRP Cc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000642341684 461501180 /nfs/dbraw/zinc/50/11/80/461501180.db2.gz IDZUGIDJSBMLHS-UHFFFAOYSA-N 2 0 337.511 3.293 20 0 EGADRP C[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)CC[C@@H]1CCCC[NH+]1C ZINC000659958999 461515401 /nfs/dbraw/zinc/51/54/01/461515401.db2.gz BPCXGFATHHJQNX-MAUKXSAKSA-N 2 0 347.528 3.296 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(OC)c2Cl)C1 ZINC000659978588 461526159 /nfs/dbraw/zinc/52/61/59/461526159.db2.gz FQTCQNCFNDZMLX-INIZCTEOSA-N 2 0 340.895 3.281 20 0 EGADRP COc1ccccc1C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000638726501 461550459 /nfs/dbraw/zinc/55/04/59/461550459.db2.gz TZTXXVUVPMUBMX-LJQANCHMSA-N 2 0 348.531 3.087 20 0 EGADRP CC[N@H+](CCCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000653200512 461554882 /nfs/dbraw/zinc/55/48/82/461554882.db2.gz GYYQVHZXLUEECQ-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1nnsc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000638796564 461582806 /nfs/dbraw/zinc/58/28/06/461582806.db2.gz KXDKKDCOYDKJRR-YOEHRIQHSA-N 2 0 330.501 3.237 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000653256643 461593362 /nfs/dbraw/zinc/59/33/62/461593362.db2.gz RQTTUURYGFDERO-UHFFFAOYSA-N 2 0 331.504 3.120 20 0 EGADRP Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000643031897 461594465 /nfs/dbraw/zinc/59/44/65/461594465.db2.gz ZDJYJLZEYNHGMU-LRDDRELGSA-N 2 0 333.382 3.333 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@]2(C)CCCc3ccccc32)CC1 ZINC000638829958 461605028 /nfs/dbraw/zinc/60/50/28/461605028.db2.gz KUGZPJDNFYNEKZ-OAQYLSRUSA-N 2 0 330.516 3.106 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000647288042 461615135 /nfs/dbraw/zinc/61/51/35/461615135.db2.gz FEGVJKZPUHSXPO-FXAWDEMLSA-N 2 0 333.520 3.008 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)CNC(C)(c1ccccc1)c1ccccc1 ZINC000660194286 461629171 /nfs/dbraw/zinc/62/91/71/461629171.db2.gz HUXILYJRFSPIHG-FQEVSTJZSA-N 2 0 326.484 3.241 20 0 EGADRP CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000650236662 461655086 /nfs/dbraw/zinc/65/50/86/461655086.db2.gz BWYJDLPFMXWRMB-LJQANCHMSA-N 2 0 344.503 3.185 20 0 EGADRP c1coc([C@@H]2C[C@H]2[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000666484111 461658723 /nfs/dbraw/zinc/65/87/23/461658723.db2.gz SXVZDXGOGNCHTF-RTBURBONSA-N 2 0 326.440 3.400 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663470534 461659191 /nfs/dbraw/zinc/65/91/91/461659191.db2.gz VAWCITSZZQBOGT-IEBWSBKVSA-N 2 0 343.515 3.424 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660244304 461660732 /nfs/dbraw/zinc/66/07/32/461660732.db2.gz PFZMTFZNFLLAGK-XUVXKRRUSA-N 2 0 349.563 3.268 20 0 EGADRP COc1cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccn1 ZINC000638969821 461662278 /nfs/dbraw/zinc/66/22/78/461662278.db2.gz IUTMFDIXPQEFOO-LZLYRXPVSA-N 2 0 331.504 3.264 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000660256357 461670071 /nfs/dbraw/zinc/67/00/71/461670071.db2.gz KSBNRWKBXBYWEA-QLFBSQMISA-N 2 0 346.437 3.488 20 0 EGADRP [NH3+]C[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c2ccccc21 ZINC000639063849 461701857 /nfs/dbraw/zinc/70/18/57/461701857.db2.gz IQQMAHMHPCKUPR-MSOLQXFVSA-N 2 0 349.478 3.158 20 0 EGADRP CC[NH+](CC)Cc1ccc(NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639093283 461723002 /nfs/dbraw/zinc/72/30/02/461723002.db2.gz JWBWCOQNICVXSA-UHFFFAOYSA-N 2 0 333.520 3.176 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455558 461733312 /nfs/dbraw/zinc/73/33/12/461733312.db2.gz VCGWFADHJWSGRW-UKPHBRMFSA-N 2 0 341.421 3.262 20 0 EGADRP COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000643457578 461733633 /nfs/dbraw/zinc/73/36/33/461733633.db2.gz OJTOSYJPHLEPKL-AWEZNQCLSA-N 2 0 327.472 3.486 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)c2ccccc21 ZINC000643462850 461734811 /nfs/dbraw/zinc/73/48/11/461734811.db2.gz MZCLSKNQEFBMOV-XWIAVFTESA-N 2 0 329.394 3.278 20 0 EGADRP O=C1[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCN1C1CCCCC1 ZINC000643467621 461737183 /nfs/dbraw/zinc/73/71/83/461737183.db2.gz DMUSXLYHXJOBRL-DFQSSKMNSA-N 2 0 341.499 3.003 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(N2CCCC2)n1 ZINC000643471268 461738330 /nfs/dbraw/zinc/73/83/30/461738330.db2.gz LEIUZMKNFTUOCZ-OAHLLOKOSA-N 2 0 339.487 3.003 20 0 EGADRP CO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000669621127 461744883 /nfs/dbraw/zinc/74/48/83/461744883.db2.gz ITZDYBUYPGRRBJ-PXNSSMCTSA-N 2 0 332.488 3.161 20 0 EGADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000643527872 461752727 /nfs/dbraw/zinc/75/27/27/461752727.db2.gz UPADQOITIXITHB-IUCAKERBSA-N 2 0 337.773 3.013 20 0 EGADRP Brc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522374 461752892 /nfs/dbraw/zinc/75/28/92/461752892.db2.gz MFUVFMPKDVURON-IUODEOHRSA-N 2 0 339.277 3.395 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000639140433 461756307 /nfs/dbraw/zinc/75/63/07/461756307.db2.gz XNIMISHIYRJKQP-RULNRJAQSA-N 2 0 343.240 3.094 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cnn1-c1ccc(F)cc1 ZINC000643536175 461757519 /nfs/dbraw/zinc/75/75/19/461757519.db2.gz SAOMUCNIIQKHPR-UGSOOPFHSA-N 2 0 328.435 3.113 20 0 EGADRP Fc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)c(F)c1 ZINC000643546936 461758073 /nfs/dbraw/zinc/75/80/73/461758073.db2.gz WYLSLLTTZUAVJQ-MRXNPFEDSA-N 2 0 335.442 3.198 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547832 461760907 /nfs/dbraw/zinc/76/09/07/461760907.db2.gz JOPJVHOEGNHNDG-MXEMCNAFSA-N 2 0 339.527 3.446 20 0 EGADRP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647550289 461762498 /nfs/dbraw/zinc/76/24/98/461762498.db2.gz JTCJVHQLUMRYQQ-NXOAAHMSSA-N 2 0 333.907 3.287 20 0 EGADRP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)c1 ZINC000647550726 461762823 /nfs/dbraw/zinc/76/28/23/461762823.db2.gz DZVLFANGCFRQSO-SOLBZPMBSA-N 2 0 341.430 3.491 20 0 EGADRP Brc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647549549 461763151 /nfs/dbraw/zinc/76/31/51/461763151.db2.gz HDGWSTDREDHKDM-RBSFLKMASA-N 2 0 349.316 3.458 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000647551531 461763785 /nfs/dbraw/zinc/76/37/85/461763785.db2.gz TVVGWAHZCVBRKH-ADSMDIBLSA-N 2 0 346.862 3.429 20 0 EGADRP Fc1cc(F)c(F)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000656504720 461770672 /nfs/dbraw/zinc/77/06/72/461770672.db2.gz UPTYMTLVWZTRTH-UHFFFAOYSA-N 2 0 339.336 3.397 20 0 EGADRP COCC[N@H+](C)CCCC1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663758494 461790864 /nfs/dbraw/zinc/79/08/64/461790864.db2.gz CXEDNKDFZMJCEA-UHFFFAOYSA-N 2 0 330.476 3.138 20 0 EGADRP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647785854 461832943 /nfs/dbraw/zinc/83/29/43/461832943.db2.gz FSWXGWYYGRDYDL-AEGPPILISA-N 2 0 328.378 3.105 20 0 EGADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)nc1 ZINC000647783869 461833309 /nfs/dbraw/zinc/83/33/09/461833309.db2.gz DDARXBNCGMVEMC-IPMKNSEASA-N 2 0 337.467 3.138 20 0 EGADRP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789176 461835265 /nfs/dbraw/zinc/83/52/65/461835265.db2.gz ZWAIWCCQHSHQGA-FGTMMUONSA-N 2 0 341.524 3.406 20 0 EGADRP Clc1cccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)c1 ZINC000647788989 461835548 /nfs/dbraw/zinc/83/55/48/461835548.db2.gz WKUXINRPUVLIEY-XEYPJELSSA-N 2 0 347.934 3.455 20 0 EGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788458 461835653 /nfs/dbraw/zinc/83/56/53/461835653.db2.gz JWRSZVKYNAKINR-ONUIULTDSA-N 2 0 328.500 3.440 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000666855542 461837033 /nfs/dbraw/zinc/83/70/33/461837033.db2.gz YYUQQTKPMYFQMJ-CQSZACIVSA-N 2 0 326.868 3.369 20 0 EGADRP Brc1cccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791894 461837335 /nfs/dbraw/zinc/83/73/35/461837335.db2.gz PJDIJLMIGAXLKL-BFYDXBDKSA-N 2 0 337.305 3.359 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1 ZINC000647794189 461838022 /nfs/dbraw/zinc/83/80/22/461838022.db2.gz TXWHTLKORMOLGL-XUVXKRRUSA-N 2 0 349.478 3.417 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000647796477 461839357 /nfs/dbraw/zinc/83/93/57/461839357.db2.gz AQSWYYJYZRWAPQ-OEUWWYETSA-N 2 0 343.298 3.395 20 0 EGADRP Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccc(Cl)cc21 ZINC000647795847 461840527 /nfs/dbraw/zinc/84/05/27/461840527.db2.gz YCUSSPXDHVAPDQ-UKPHBRMFSA-N 2 0 331.891 3.352 20 0 EGADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799947 461841945 /nfs/dbraw/zinc/84/19/45/461841945.db2.gz VJQAMILVJDKUDH-ATNYBXOESA-N 2 0 329.463 3.226 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccnc(-c3ccccc3)c2)CC1 ZINC000639355528 461879872 /nfs/dbraw/zinc/87/98/72/461879872.db2.gz ZOHFLHVPSRBRJH-UHFFFAOYSA-N 2 0 339.483 3.074 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950813 461885295 /nfs/dbraw/zinc/88/52/95/461885295.db2.gz JKFCVQSXVIBZPM-HXUWFJFHSA-N 2 0 338.499 3.088 20 0 EGADRP CC[C@H]1C[N@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC[C@@H]1[NH3+] ZINC000647937859 461894299 /nfs/dbraw/zinc/89/42/99/461894299.db2.gz DDTOQSNYTFDDHG-YOEHRIQHSA-N 2 0 346.450 3.176 20 0 EGADRP COc1cc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656785955 461895551 /nfs/dbraw/zinc/89/55/51/461895551.db2.gz OFNJPXJNSMRMSZ-QGZVFWFLSA-N 2 0 332.488 3.224 20 0 EGADRP [NH3+]C[C@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccc2ccccc2c1 ZINC000656785353 461896451 /nfs/dbraw/zinc/89/64/51/461896451.db2.gz GUVBMMAWXQMTED-QFIPXVFZSA-N 2 0 331.463 3.275 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH3+])CCCC1 ZINC000656788871 461899306 /nfs/dbraw/zinc/89/93/06/461899306.db2.gz FDZUKJBRBRDBRH-GFCCVEGCSA-N 2 0 343.393 3.284 20 0 EGADRP COc1ccc2oc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cc2c1 ZINC000650707263 461899433 /nfs/dbraw/zinc/89/94/33/461899433.db2.gz BXMRHCPCIFDJKZ-UVFQYZLESA-N 2 0 344.455 3.160 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000650707664 461902171 /nfs/dbraw/zinc/90/21/71/461902171.db2.gz KLHXRKLCCHQPKU-SRCQZFHVSA-N 2 0 326.843 3.197 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707334 461902353 /nfs/dbraw/zinc/90/23/53/461902353.db2.gz CXKTZLUFFKGJCQ-FTRWYGJKSA-N 2 0 328.456 3.460 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995109 461903184 /nfs/dbraw/zinc/90/31/84/461903184.db2.gz DKYYQXLPZPRVKX-DOTOQJQBSA-N 2 0 329.488 3.230 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(SC)cc1OC ZINC000650711032 461904949 /nfs/dbraw/zinc/90/49/49/461904949.db2.gz GQYBNENENNOTAR-HIFRSBDPSA-N 2 0 338.517 3.375 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(SC)cc1OC ZINC000650711034 461905007 /nfs/dbraw/zinc/90/50/07/461905007.db2.gz GQYBNENENNOTAR-ZFWWWQNUSA-N 2 0 338.517 3.375 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711740 461905421 /nfs/dbraw/zinc/90/54/21/461905421.db2.gz BWOPQQBNARMBRD-KUHUBIRLSA-N 2 0 330.451 3.269 20 0 EGADRP C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)c2ccccc2C[NH2+]1 ZINC000667000356 461907201 /nfs/dbraw/zinc/90/72/01/461907201.db2.gz JRNUIOUELDWVCO-QGZVFWFLSA-N 2 0 339.483 3.125 20 0 EGADRP C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000650718140 461909167 /nfs/dbraw/zinc/90/91/67/461909167.db2.gz ZMHVQFDVJNGWQS-OXQOHEQNSA-N 2 0 341.474 3.427 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000650721003 461912414 /nfs/dbraw/zinc/91/24/14/461912414.db2.gz LJDVXWJIMXCHQR-UHFFFAOYSA-N 2 0 332.879 3.146 20 0 EGADRP Cn1cc(C[NH+]2CCC(CC[NH3+])CC2)c(-c2cc3ccccc3o2)n1 ZINC000650721177 461913056 /nfs/dbraw/zinc/91/30/56/461913056.db2.gz UKEDUGWMFQDPQJ-UHFFFAOYSA-N 2 0 338.455 3.394 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000650723741 461916189 /nfs/dbraw/zinc/91/61/89/461916189.db2.gz SNSMWAKYZCOYSG-QOPWDLMFSA-N 2 0 336.426 3.339 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647974927 461916916 /nfs/dbraw/zinc/91/69/16/461916916.db2.gz CCDLQQPKBXGLPU-OALUTQOASA-N 2 0 343.515 3.262 20 0 EGADRP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978278 461921250 /nfs/dbraw/zinc/92/12/50/461921250.db2.gz PGVWYYALQCHHPO-ROUUACIJSA-N 2 0 340.471 3.257 20 0 EGADRP c1cc2c(cc1[C@H]([NH2+]CCCC1CC[NH2+]CC1)C1CC1)OCCO2 ZINC000647992245 461927033 /nfs/dbraw/zinc/92/70/33/461927033.db2.gz WNUYGXRBEIGJHD-HXUWFJFHSA-N 2 0 330.472 3.278 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CN1Cc1ccccc1 ZINC000650753753 461934768 /nfs/dbraw/zinc/93/47/68/461934768.db2.gz UZXILFNVCQJJLW-KXBFYZLASA-N 2 0 327.447 3.037 20 0 EGADRP O=C(Nc1cccc(Oc2ccncc2)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667099564 461949120 /nfs/dbraw/zinc/94/91/20/461949120.db2.gz BDSAUWBQYNGQOE-KDOFPFPSSA-N 2 0 338.411 3.090 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nc1C ZINC000657000248 461951615 /nfs/dbraw/zinc/95/16/15/461951615.db2.gz DYHMRYYZOZXVGY-UHFFFAOYSA-N 2 0 339.483 3.463 20 0 EGADRP c1ccc(CN2CCO[C@@H]3CN(c4cc[nH+]c5ccccc54)C[C@@H]32)cc1 ZINC000664189700 461974540 /nfs/dbraw/zinc/97/45/40/461974540.db2.gz QIJGOOKNLDWGBH-FCHUYYIVSA-N 2 0 345.446 3.324 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2CC2CC2)c1 ZINC000657332847 462052583 /nfs/dbraw/zinc/05/25/83/462052583.db2.gz RLTWJMQRFAFNIE-UHFFFAOYSA-N 2 0 326.488 3.423 20 0 EGADRP CCO[C@@H](C)c1nc(CN2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639682668 462054859 /nfs/dbraw/zinc/05/48/59/462054859.db2.gz IIKNVVOUSVJBSE-HNNXBMFYSA-N 2 0 346.500 3.348 20 0 EGADRP CO[C@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000639683742 462056809 /nfs/dbraw/zinc/05/68/09/462056809.db2.gz AJMUZELKOIAFOF-LJQANCHMSA-N 2 0 329.419 3.121 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657348114 462062000 /nfs/dbraw/zinc/06/20/00/462062000.db2.gz KXFXMQCJPISSBE-AZUAARDMSA-N 2 0 332.488 3.064 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cc21 ZINC000657398929 462097541 /nfs/dbraw/zinc/09/75/41/462097541.db2.gz FZXYJRPQFASIAC-SFTDATJTSA-N 2 0 341.499 3.334 20 0 EGADRP CC[C@](C)([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000639928172 462179463 /nfs/dbraw/zinc/17/94/63/462179463.db2.gz JXUUFTWGINYEEZ-FQEVSTJZSA-N 2 0 335.511 3.457 20 0 EGADRP CCc1cnc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657613215 462204151 /nfs/dbraw/zinc/20/41/51/462204151.db2.gz IWKSCELJZASQOB-UHFFFAOYSA-N 2 0 330.501 3.102 20 0 EGADRP CCc1noc(C)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645187811 462223981 /nfs/dbraw/zinc/22/39/81/462223981.db2.gz ZAIJBKTYRDGRQW-UHFFFAOYSA-N 2 0 343.471 3.310 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657833564 462287675 /nfs/dbraw/zinc/28/76/75/462287675.db2.gz VFDWMARORLIUOS-SFHVURJKSA-N 2 0 343.559 3.112 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000657838744 462291252 /nfs/dbraw/zinc/29/12/52/462291252.db2.gz FZECRRAYYYGWMS-LJQANCHMSA-N 2 0 342.487 3.228 20 0 EGADRP CCOC1CCC([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000657871124 462302705 /nfs/dbraw/zinc/30/27/05/462302705.db2.gz HKGVUJOIMJFMSF-UHFFFAOYSA-N 2 0 334.504 3.107 20 0 EGADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)c(Cl)c1 ZINC000657986289 462338604 /nfs/dbraw/zinc/33/86/04/462338604.db2.gz FYVFBSDYNTXGHP-LLVKDONJSA-N 2 0 349.700 3.331 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658071632 462368075 /nfs/dbraw/zinc/36/80/75/462368075.db2.gz XNVITJMQAANIEZ-RBUKOAKNSA-N 2 0 338.536 3.059 20 0 EGADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000658108812 462389195 /nfs/dbraw/zinc/38/91/95/462389195.db2.gz SQYABCVGQLZYSK-GJZGRUSLSA-N 2 0 334.533 3.219 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000640532129 462430211 /nfs/dbraw/zinc/43/02/11/462430211.db2.gz APSXZLKIHXEFGP-FQEVSTJZSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1)c1cccs1 ZINC000640531183 462430827 /nfs/dbraw/zinc/43/08/27/462430827.db2.gz HETDOKTVCDNLEL-INIZCTEOSA-N 2 0 337.533 3.123 20 0 EGADRP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000652150459 462451412 /nfs/dbraw/zinc/45/14/12/462451412.db2.gz XLAVXWIVJKHENW-IEBWSBKVSA-N 2 0 349.494 3.090 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150995 462452221 /nfs/dbraw/zinc/45/22/21/462452221.db2.gz GFBRHCHQXMHZOG-GDBMZVCRSA-N 2 0 336.476 3.095 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649288517 462467877 /nfs/dbraw/zinc/46/78/77/462467877.db2.gz WKKNCKIUKKTBBH-MRXNPFEDSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000649330131 462479867 /nfs/dbraw/zinc/47/98/67/462479867.db2.gz ZGQLLRDRTMYHRX-AEFFLSMTSA-N 2 0 331.504 3.015 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000649340670 462482036 /nfs/dbraw/zinc/48/20/36/462482036.db2.gz UISCTVHCXNHVCY-SFTDATJTSA-N 2 0 329.532 3.456 20 0 EGADRP CC[N@H+](CCC[NH2+][C@H](C)C1(OC)CCOCC1)C1CCCCC1 ZINC000652237764 462485692 /nfs/dbraw/zinc/48/56/92/462485692.db2.gz CUCOIFYLOAFSEW-QGZVFWFLSA-N 2 0 326.525 3.205 20 0 EGADRP C(=C/C[N@@H+]1CC[C@@H](c2cccnc2)C1)\C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645983218 462487513 /nfs/dbraw/zinc/48/75/13/462487513.db2.gz BBBFPWDJYZDHMS-XFDDJKQHSA-N 2 0 348.494 3.312 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000658355838 462489171 /nfs/dbraw/zinc/48/91/71/462489171.db2.gz LAROXJGFOZVWAF-OAHLLOKOSA-N 2 0 341.499 3.344 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132439858 534428530 /nfs/dbraw/zinc/42/85/30/534428530.db2.gz VCFPVXZJVNWEOD-VQTJNVASSA-N 2 0 345.531 3.070 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000178132104 528155418 /nfs/dbraw/zinc/15/54/18/528155418.db2.gz MIJWLKXUOOPEKL-INIZCTEOSA-N 2 0 344.503 3.300 20 0 EGADRP CCOC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000186533394 528429949 /nfs/dbraw/zinc/42/99/49/528429949.db2.gz JVHSMGVXOKEEQI-UHFFFAOYSA-N 2 0 333.520 3.122 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000191385920 529042537 /nfs/dbraw/zinc/04/25/37/529042537.db2.gz UHHDVLMJERGUGM-UHFFFAOYSA-N 2 0 343.559 3.357 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000354678660 535579432 /nfs/dbraw/zinc/57/94/32/535579432.db2.gz UUYYXAXKVKSTJC-IPMKNSEASA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC000338179711 535600842 /nfs/dbraw/zinc/60/08/42/535600842.db2.gz DHSQRUVBOWQYTO-DLBZAZTESA-N 2 0 331.504 3.083 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)C1CC[NH+](C)CC1 ZINC000122520171 546733258 /nfs/dbraw/zinc/73/32/58/546733258.db2.gz DFFXKLGYACXOEX-HNNXBMFYSA-N 2 0 329.488 3.245 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000152428379 546869732 /nfs/dbraw/zinc/86/97/32/546869732.db2.gz WMEVDCKPOBRXMJ-SFHVURJKSA-N 2 0 330.516 3.363 20 0 EGADRP O=C(Nc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)C1CCC1 ZINC000166065363 546987343 /nfs/dbraw/zinc/98/73/43/546987343.db2.gz QOKIIWRHCTXLTB-IEBWSBKVSA-N 2 0 327.472 3.142 20 0 EGADRP FC(F)(F)Oc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166198053 546988705 /nfs/dbraw/zinc/98/87/05/546988705.db2.gz KHRHDFADQJRUPJ-LSDHHAIUSA-N 2 0 328.378 3.344 20 0 EGADRP Cc1nc2ccccc2nc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000179705361 547048690 /nfs/dbraw/zinc/04/86/90/547048690.db2.gz FKFJJNQEQNEMJO-UHFFFAOYSA-N 2 0 326.488 3.492 20 0 EGADRP CCc1cc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)nc(C)n1 ZINC000180434480 547056250 /nfs/dbraw/zinc/05/62/50/547056250.db2.gz YQCXXYVDFOOGFW-OAHLLOKOSA-N 2 0 340.471 3.239 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000182242397 547078398 /nfs/dbraw/zinc/07/83/98/547078398.db2.gz DIXXTSDWHYONTI-KBXCAEBGSA-N 2 0 345.512 3.259 20 0 EGADRP C[C@]([NH3+])(C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000192519358 547199126 /nfs/dbraw/zinc/19/91/26/547199126.db2.gz NNXCWKKKZMIKFP-OAQYLSRUSA-N 2 0 337.467 3.485 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000312010937 547463032 /nfs/dbraw/zinc/46/30/32/547463032.db2.gz WITOZPDCPJPGNU-CYBMUJFWSA-N 2 0 325.294 3.312 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105351 547462178 /nfs/dbraw/zinc/46/21/78/547462178.db2.gz ZVTAWAYTXSJABZ-NJDAHSKKSA-N 2 0 327.516 3.115 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000324234665 547472159 /nfs/dbraw/zinc/47/21/59/547472159.db2.gz YJCNKIIBWYTHMN-CQSZACIVSA-N 2 0 343.437 3.382 20 0 EGADRP COCC1(C)CC[NH+](CC[C@H](C)[NH+]2CCC(C)(COC)CC2)CC1 ZINC000358774153 547747151 /nfs/dbraw/zinc/74/71/51/547747151.db2.gz VNCZSBZNZFNBJJ-SFHVURJKSA-N 2 0 340.552 3.262 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)CC2 ZINC000358998060 547749007 /nfs/dbraw/zinc/74/90/07/547749007.db2.gz FLFTTXVWCLWOHX-KRWDZBQOSA-N 2 0 332.488 3.403 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000370735920 547791209 /nfs/dbraw/zinc/79/12/09/547791209.db2.gz DDQRUJOJPHCENI-SFHVURJKSA-N 2 0 336.907 3.051 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC000414845428 547860797 /nfs/dbraw/zinc/86/07/97/547860797.db2.gz DKQXKIVYRHZHIW-STQMWFEESA-N 2 0 348.288 3.475 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OCc1cccnc1 ZINC000414935531 547861604 /nfs/dbraw/zinc/86/16/04/547861604.db2.gz YRGNPCWBCKHYMQ-ROUUACIJSA-N 2 0 341.455 3.029 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000414929192 547861660 /nfs/dbraw/zinc/86/16/60/547861660.db2.gz RDWLHQMXXVDSSY-STQMWFEESA-N 2 0 334.261 3.357 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474461621 547954501 /nfs/dbraw/zinc/95/45/01/547954501.db2.gz PUHHWBNDXANMQX-NUWOQIAWSA-N 2 0 349.485 3.359 20 0 EGADRP CC1=CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000671117779 548249022 /nfs/dbraw/zinc/24/90/22/548249022.db2.gz LCYGRMKFYFSJDW-FQEVSTJZSA-N 2 0 341.499 3.101 20 0 EGADRP CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000672211209 548409187 /nfs/dbraw/zinc/40/91/87/548409187.db2.gz AQXGUEBUYQKFFC-UHFFFAOYSA-N 2 0 335.492 3.069 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742573 548971633 /nfs/dbraw/zinc/97/16/33/548971633.db2.gz SMADGCMDQYSDII-DNVCBOLYSA-N 2 0 333.495 3.065 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000675789730 548981795 /nfs/dbraw/zinc/98/17/95/548981795.db2.gz JWYWLJHVLGIIRQ-QFBILLFUSA-N 2 0 329.488 3.395 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)C[C@H](C)O1 ZINC000677129136 549214747 /nfs/dbraw/zinc/21/47/47/549214747.db2.gz GZLBUEYFACEPOG-BIENJYKASA-N 2 0 338.442 3.431 20 0 EGADRP CCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000677751992 549325898 /nfs/dbraw/zinc/32/58/98/549325898.db2.gz DJKWQUOJQVHZBM-UHFFFAOYSA-N 2 0 332.488 3.210 20 0 EGADRP Cc1ccc([C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CCC2)o1 ZINC000680464999 549868575 /nfs/dbraw/zinc/86/85/75/549868575.db2.gz MXKSJXDJFKFCFZ-FXAWDEMLSA-N 2 0 331.504 3.187 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000680969672 549934799 /nfs/dbraw/zinc/93/47/99/549934799.db2.gz RWRNKHJMBSXLBM-RTBURBONSA-N 2 0 329.532 3.184 20 0 EGADRP CC(C)c1ccc(CC[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000681115056 549956420 /nfs/dbraw/zinc/95/64/20/549956420.db2.gz KJTQDTVDNYWMDN-HXUWFJFHSA-N 2 0 329.532 3.111 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000681137473 549959761 /nfs/dbraw/zinc/95/97/61/549959761.db2.gz PDZGZQGHKCXCIC-LJQANCHMSA-N 2 0 329.532 3.296 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000681256723 549974107 /nfs/dbraw/zinc/97/41/07/549974107.db2.gz NTYVKFFXIDPVHT-MJGOQNOKSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401523 549993246 /nfs/dbraw/zinc/99/32/46/549993246.db2.gz HIDFNIDNAMEFIP-DYESRHJHSA-N 2 0 329.532 3.217 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000682130772 550076017 /nfs/dbraw/zinc/07/60/17/550076017.db2.gz JJIXGGCRCKEZDN-FPOVZHCZSA-N 2 0 329.532 3.112 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(O)cc3)CC2)CC1 ZINC000682405439 550095085 /nfs/dbraw/zinc/09/50/85/550095085.db2.gz WKFSIPHWOIOJQA-UHFFFAOYSA-N 3 0 345.531 3.020 20 0 EGADRP C[C@@H]1CSCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683109545 550191710 /nfs/dbraw/zinc/19/17/10/550191710.db2.gz SPTHZEZYPRFAFF-KRWDZBQOSA-N 2 0 334.529 3.346 20 0 EGADRP C[N@H+]1C[C@H]2CN(Cc3ccc(OCc4cccc(F)c4)cc3)C[C@H]2C1 ZINC000683844605 550267787 /nfs/dbraw/zinc/26/77/87/550267787.db2.gz SFHKPCFHBCCUME-KDURUIRLSA-N 2 0 340.442 3.398 20 0 EGADRP C[N@H+](Cc1coc2ccccc12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457593 550419257 /nfs/dbraw/zinc/41/92/57/550419257.db2.gz GBCJAOGPMNDMHU-SFHVURJKSA-N 2 0 327.472 3.033 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000685466580 550420292 /nfs/dbraw/zinc/42/02/92/550420292.db2.gz WEWAACWZPSSNTD-UHFFFAOYSA-N 2 0 325.456 3.187 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000732273817 575252301 /nfs/dbraw/zinc/25/23/01/575252301.db2.gz DRPLUONLBMZRQW-CEXWTWQISA-N 2 0 337.552 3.362 20 0 EGADRP c1cc(-c2nn[nH]n2)sc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000823748235 606417342 /nfs/dbraw/zinc/41/73/42/606417342.db2.gz RQBDRQLRUUTGEJ-UHFFFAOYSA-N 2 0 348.520 3.064 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000055933927 1291795345 /nfs/dbraw/zinc/79/53/45/1291795345.db2.gz QODRDSUNDIUEDH-SFHVURJKSA-N 2 0 343.515 3.277 20 0 EGADRP CCc1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC000066593760 1292123832 /nfs/dbraw/zinc/12/38/32/1292123832.db2.gz FFJSHLDWMBIVQH-UHFFFAOYSA-N 2 0 343.540 3.348 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000069160344 1292232594 /nfs/dbraw/zinc/23/25/94/1292232594.db2.gz LAPMRBNFWHZAJA-IBGZPJMESA-N 2 0 339.483 3.482 20 0 EGADRP Cc1cccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1C ZINC000069785338 1292252473 /nfs/dbraw/zinc/25/24/73/1292252473.db2.gz JWWMSCMKEJBGFY-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000075763115 1292409559 /nfs/dbraw/zinc/40/95/59/1292409559.db2.gz CIPLKWDHVGWLRP-QGZVFWFLSA-N 2 0 344.330 3.355 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000075763020 1292409807 /nfs/dbraw/zinc/40/98/07/1292409807.db2.gz IIGMNBVOBAUUJI-KRWDZBQOSA-N 2 0 344.330 3.355 20 0 EGADRP COc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1C#N ZINC000080373609 1292597297 /nfs/dbraw/zinc/59/72/97/1292597297.db2.gz BJVNMDXNHRHFPD-UHFFFAOYSA-N 2 0 327.472 3.454 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092743007 1292888720 /nfs/dbraw/zinc/88/87/20/1292888720.db2.gz DYJFYRUFSVEFLU-ZFWWWQNUSA-N 2 0 325.522 3.023 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1F ZINC000105421394 1293034077 /nfs/dbraw/zinc/03/40/77/1293034077.db2.gz BZZAHXDSJZQJME-UHFFFAOYSA-N 2 0 341.474 3.171 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000105451468 1293035807 /nfs/dbraw/zinc/03/58/07/1293035807.db2.gz RRQVUMXRYWYGBO-UHFFFAOYSA-N 2 0 344.330 3.357 20 0 EGADRP CCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000112096551 1293117247 /nfs/dbraw/zinc/11/72/47/1293117247.db2.gz WFFLVJXXNKQQQM-KRWDZBQOSA-N 2 0 326.488 3.425 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000121238255 1293361690 /nfs/dbraw/zinc/36/16/90/1293361690.db2.gz OFDIINKCUJYILJ-ZWKOTPCHSA-N 2 0 333.520 3.010 20 0 EGADRP Cc1cc(Cl)ccc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000128975980 1293610540 /nfs/dbraw/zinc/61/05/40/1293610540.db2.gz QIXPOEOVSVSKOV-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000131355479 1293687548 /nfs/dbraw/zinc/68/75/48/1293687548.db2.gz UVDHWVLRKQLPDF-BDJLRTHQSA-N 2 0 331.287 3.347 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000133288072 1293741260 /nfs/dbraw/zinc/74/12/60/1293741260.db2.gz UNXUWMLEOCVEPT-INIZCTEOSA-N 2 0 327.513 3.094 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc1 ZINC000133775364 1293754219 /nfs/dbraw/zinc/75/42/19/1293754219.db2.gz GGWVNPCBRBHYJR-HDICACEKSA-N 2 0 339.483 3.289 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000136605379 1293819816 /nfs/dbraw/zinc/81/98/16/1293819816.db2.gz DYEWGBRSWSQOOG-SFTDATJTSA-N 2 0 339.483 3.092 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000136603897 1293819932 /nfs/dbraw/zinc/81/99/32/1293819932.db2.gz ASDLWTJRZPDWDR-UXHICEINSA-N 2 0 339.483 3.092 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000150994959 1293901507 /nfs/dbraw/zinc/90/15/07/1293901507.db2.gz RUSCTRHNTLAUEP-AWEZNQCLSA-N 2 0 349.302 3.448 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)c1 ZINC000154488348 1294057814 /nfs/dbraw/zinc/05/78/14/1294057814.db2.gz DASBCRHNJOZUBF-GOSISDBHSA-N 2 0 333.520 3.154 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000160128243 1294258533 /nfs/dbraw/zinc/25/85/33/1294258533.db2.gz HFSYYGWKSBLFEE-MRXNPFEDSA-N 2 0 326.488 3.250 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2C)cc1C[NH+]1CCCCC1 ZINC000182611336 1295062276 /nfs/dbraw/zinc/06/22/76/1295062276.db2.gz BLVDGAUGRHJIFT-FXAWDEMLSA-N 2 0 345.531 3.426 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC000192954920 1295818830 /nfs/dbraw/zinc/81/88/30/1295818830.db2.gz HCQIIBFYOARDEO-OAHLLOKOSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870867535 1296121195 /nfs/dbraw/zinc/12/11/95/1296121195.db2.gz QLMPBCOGPMCOBW-ABSDTBQOSA-N 2 0 343.515 3.052 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc(Cl)c1OC ZINC000236853373 1296208140 /nfs/dbraw/zinc/20/81/40/1296208140.db2.gz VTNLROFYNJAYGV-ZDUSSCGKSA-N 2 0 338.879 3.321 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000248617984 1296422563 /nfs/dbraw/zinc/42/25/63/1296422563.db2.gz BCBISTKOWPENSQ-RBUKOAKNSA-N 2 0 349.563 3.399 20 0 EGADRP CC[NH+](CC)Cc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)o1 ZINC000871794856 1296536522 /nfs/dbraw/zinc/53/65/22/1296536522.db2.gz DQNUEKHFARDVGN-AGUYFDCRSA-N 2 0 330.432 3.169 20 0 EGADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871884870 1296593393 /nfs/dbraw/zinc/59/33/93/1296593393.db2.gz AMOUFTLDEYSHDP-QGZVFWFLSA-N 2 0 349.544 3.129 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000301962849 1296795662 /nfs/dbraw/zinc/79/56/62/1296795662.db2.gz PNUJLPBIYYMCMV-IAGOWNOFSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000872223387 1296828188 /nfs/dbraw/zinc/82/81/88/1296828188.db2.gz QOZZQUHSRGUJOQ-GOSISDBHSA-N 2 0 326.431 3.098 20 0 EGADRP CCCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000305138446 1296986250 /nfs/dbraw/zinc/98/62/50/1296986250.db2.gz LPHURFFABSQJHN-RTWAWAEBSA-N 2 0 346.515 3.333 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000309939999 1297081568 /nfs/dbraw/zinc/08/15/68/1297081568.db2.gz FAWJPLYHDOZLEW-IRXDYDNUSA-N 2 0 339.524 3.288 20 0 EGADRP C[C@@]1(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000310889661 1297103490 /nfs/dbraw/zinc/10/34/90/1297103490.db2.gz KGKMGQHAXCCULC-RTWAWAEBSA-N 2 0 342.458 3.361 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000873079485 1297263051 /nfs/dbraw/zinc/26/30/51/1297263051.db2.gz FWVMGDXNWHPOGP-RTWAWAEBSA-N 2 0 339.483 3.092 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H](O)c1ccccc1 ZINC000873193593 1297338395 /nfs/dbraw/zinc/33/83/95/1297338395.db2.gz MFAHHLFIGXBMJJ-LEWJYISDSA-N 2 0 342.483 3.229 20 0 EGADRP C[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccc(F)cc2)O1 ZINC000873205604 1297350187 /nfs/dbraw/zinc/35/01/87/1297350187.db2.gz PNEHJHWRDSODFX-FZKQIMNGSA-N 2 0 346.471 3.495 20 0 EGADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)C1CCCC1 ZINC000873231783 1297374213 /nfs/dbraw/zinc/37/42/13/1297374213.db2.gz DFIGUUBBNRUOJM-LPHOPBHVSA-N 2 0 326.488 3.454 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000873255726 1297393599 /nfs/dbraw/zinc/39/35/99/1297393599.db2.gz JAOZRJMTPBNRHR-CZIWCDLHSA-N 2 0 330.422 3.446 20 0 EGADRP c1ccc(CN2CCCC[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000873266837 1297398241 /nfs/dbraw/zinc/39/82/41/1297398241.db2.gz RFBMAAWGIZQDSN-BURNTYAHSA-N 2 0 327.516 3.019 20 0 EGADRP O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCCC2 ZINC000873277531 1297405913 /nfs/dbraw/zinc/40/59/13/1297405913.db2.gz TVISGRLLEFSBRW-YTQUADARSA-N 2 0 329.488 3.066 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC(F)F)cc1 ZINC000873289357 1297410644 /nfs/dbraw/zinc/41/06/44/1297410644.db2.gz IAARVIOGNFKZNX-CJNGLKHVSA-N 2 0 340.414 3.097 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290141 1297412504 /nfs/dbraw/zinc/41/25/04/1297412504.db2.gz BEVXTSACDYDJHU-UFYCRDLUSA-N 2 0 328.500 3.379 20 0 EGADRP COc1ccc([C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C(C)C)cc1 ZINC000873292304 1297414625 /nfs/dbraw/zinc/41/46/25/1297414625.db2.gz PTTYFSHZTHESJX-RTBURBONSA-N 2 0 332.488 3.141 20 0 EGADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293457 1297415424 /nfs/dbraw/zinc/41/54/24/1297415424.db2.gz MWNGBACGEFZNLM-RDJZCZTQSA-N 2 0 334.529 3.088 20 0 EGADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873293082 1297415633 /nfs/dbraw/zinc/41/56/33/1297415633.db2.gz XLOLSDLJXCXYNN-ZCNNSNEGSA-N 2 0 328.500 3.146 20 0 EGADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873293079 1297415666 /nfs/dbraw/zinc/41/56/66/1297415666.db2.gz XLOLSDLJXCXYNN-SLFFLAALSA-N 2 0 328.500 3.146 20 0 EGADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000379621071 1297536597 /nfs/dbraw/zinc/53/65/97/1297536597.db2.gz DWUJDHSECWWRAP-UWJYYQICSA-N 2 0 337.467 3.092 20 0 EGADRP c1nn2ccccc2c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385662703 1297585455 /nfs/dbraw/zinc/58/54/55/1297585455.db2.gz YAHIPJPNGNSMTR-IBGZPJMESA-N 2 0 334.467 3.336 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000398154087 1297716416 /nfs/dbraw/zinc/71/64/16/1297716416.db2.gz ZJSPUPMRGXZZLF-DBXWQHBBSA-N 2 0 329.532 3.217 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399082722 1297723695 /nfs/dbraw/zinc/72/36/95/1297723695.db2.gz QGAOGVQBUZHXDA-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C2 ZINC000423523095 1297797364 /nfs/dbraw/zinc/79/73/64/1297797364.db2.gz VKZGJJAVJBCTHL-IEBWSBKVSA-N 2 0 326.440 3.069 20 0 EGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444793704 1297861707 /nfs/dbraw/zinc/86/17/07/1297861707.db2.gz QGJAQUTXBYCJQF-CHWSQXEVSA-N 2 0 343.456 3.472 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444804519 1297862028 /nfs/dbraw/zinc/86/20/28/1297862028.db2.gz PPAATNVYDOXFKK-RDJZCZTQSA-N 2 0 340.471 3.189 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C12CCC2 ZINC000453107593 1297890110 /nfs/dbraw/zinc/89/01/10/1297890110.db2.gz LLKGCDWIBOZSBC-VAMGGRTRSA-N 2 0 328.500 3.098 20 0 EGADRP CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000686980381 1298118202 /nfs/dbraw/zinc/11/82/02/1298118202.db2.gz NEPPVKQNMGYFCO-UYSNPLJNSA-N 2 0 339.524 3.272 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1)C(C)C ZINC000874840607 1298121092 /nfs/dbraw/zinc/12/10/92/1298121092.db2.gz PQCGRKAOJKYRRC-PMACEKPBSA-N 2 0 343.515 3.226 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000708522878 1298241288 /nfs/dbraw/zinc/24/12/88/1298241288.db2.gz YFRBMEASWZHOLG-IEBWSBKVSA-N 2 0 344.499 3.030 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000708557546 1298243133 /nfs/dbraw/zinc/24/31/33/1298243133.db2.gz XPBDORMWLGOKDM-FUHWJXTLSA-N 2 0 334.467 3.421 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000709322868 1298248807 /nfs/dbraw/zinc/24/88/07/1298248807.db2.gz AORHCXDOOSYFSB-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+]1CCC(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000746173015 1298547951 /nfs/dbraw/zinc/54/79/51/1298547951.db2.gz DGKXAJKRPPNVAX-UHFFFAOYSA-N 2 0 329.488 3.343 20 0 EGADRP CC1(C)CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000748837443 1299088922 /nfs/dbraw/zinc/08/89/22/1299088922.db2.gz JTTVCHZPHBFIDR-HNNXBMFYSA-N 2 0 335.536 3.066 20 0 EGADRP COc1cc(C[C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000877075455 1299146045 /nfs/dbraw/zinc/14/60/45/1299146045.db2.gz CPRNKVZJTWJKAP-IPJUCJBFSA-N 2 0 331.504 3.408 20 0 EGADRP COC(=O)c1csc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000877077027 1299147624 /nfs/dbraw/zinc/14/76/24/1299147624.db2.gz UJQPNHAJLAMWAJ-UHFFFAOYSA-N 2 0 336.501 3.421 20 0 EGADRP CCOC(=O)N1CCC(C)(C[NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000877144077 1299179914 /nfs/dbraw/zinc/17/99/14/1299179914.db2.gz GFYYZSDCGRWNHP-UHFFFAOYSA-N 2 0 347.503 3.096 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000877201291 1299205500 /nfs/dbraw/zinc/20/55/00/1299205500.db2.gz XERIWYJUJVFVGF-IBGZPJMESA-N 2 0 345.531 3.339 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877450242 1299310180 /nfs/dbraw/zinc/31/01/80/1299310180.db2.gz FEXLFQXHYHMPGT-MMTROXRISA-N 2 0 335.536 3.040 20 0 EGADRP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC(CC[NH+](C)C)CC3)cc12 ZINC000750283317 1299370614 /nfs/dbraw/zinc/37/06/14/1299370614.db2.gz COUWDPFOIIOLFB-UHFFFAOYSA-N 2 0 349.910 3.094 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccnc1C(F)(F)F)CC2 ZINC000879251337 1300454339 /nfs/dbraw/zinc/45/43/39/1300454339.db2.gz UFMXMAQYVJBKNZ-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CCCC1 ZINC000759186510 1301034192 /nfs/dbraw/zinc/03/41/92/1301034192.db2.gz LUCYCONLFFRBKJ-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000883434244 1302443239 /nfs/dbraw/zinc/44/32/39/1302443239.db2.gz KVSSQTLXEJKLHO-ONUIULTDSA-N 2 0 344.499 3.125 20 0 EGADRP COc1ccccc1OCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768821670 1302987825 /nfs/dbraw/zinc/98/78/25/1302987825.db2.gz DMJXWRVXVPXUMY-UHFFFAOYSA-N 2 0 328.456 3.268 20 0 EGADRP C[C@H](C(=O)OCC[N@H+](C)Cc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000769110102 1303049056 /nfs/dbraw/zinc/04/90/56/1303049056.db2.gz VZSBCUIEVLVSRT-BZUAXINKSA-N 2 0 336.451 3.062 20 0 EGADRP C[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)CC1CC[NH+](C)CC1 ZINC000769327475 1303093522 /nfs/dbraw/zinc/09/35/22/1303093522.db2.gz BWMMXRSMGPNZDF-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000885919019 1303276133 /nfs/dbraw/zinc/27/61/33/1303276133.db2.gz HRJWEYWHSHNYQH-OALUTQOASA-N 2 0 338.536 3.205 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2OCC(F)F)CC[NH+](C)CC1 ZINC000886121105 1303362260 /nfs/dbraw/zinc/36/22/60/1303362260.db2.gz VOGNRKHTLOLPNH-UHFFFAOYSA-N 2 0 344.471 3.248 20 0 EGADRP C[C@H]1OCC[C@@H]1C[N@H+](C)[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386907 1303454474 /nfs/dbraw/zinc/45/44/74/1303454474.db2.gz LIVBTLUGFWTKPL-DNDRQTMDSA-N 2 0 338.536 3.011 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccnc2-n2cccn2)CC1 ZINC000886501562 1303478031 /nfs/dbraw/zinc/47/80/31/1303478031.db2.gz ORWQBBNUTBUEIZ-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](CO)c2c(F)cccc2F)CC1 ZINC000886548177 1303495611 /nfs/dbraw/zinc/49/56/11/1303495611.db2.gz YKAKRBBZRKXKKW-KGYZHSKHSA-N 2 0 338.442 3.385 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC000886552188 1303498023 /nfs/dbraw/zinc/49/80/23/1303498023.db2.gz WBCOTAYFZROTRR-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000774160707 1303782062 /nfs/dbraw/zinc/78/20/62/1303782062.db2.gz ZRINQQAHYSGLMV-DWIQEWEKSA-N 2 0 336.483 3.193 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2COC3(CCCC3)O2)CC1 ZINC000774474223 1303813545 /nfs/dbraw/zinc/81/35/45/1303813545.db2.gz FBMHUFOJWKYFCW-QRQLOZEOSA-N 2 0 336.520 3.305 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC ZINC000775416263 1303961655 /nfs/dbraw/zinc/96/16/55/1303961655.db2.gz OVSIKCZKQVVEGK-ATZDWAIDSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@@H]1C[C@H](Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC[N@@H+]1C ZINC000777649005 1304329996 /nfs/dbraw/zinc/32/99/96/1304329996.db2.gz BIQZDOFRSAWQFN-UKRRQHHQSA-N 2 0 325.884 3.175 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000779385642 1304564626 /nfs/dbraw/zinc/56/46/26/1304564626.db2.gz SOPOZCGTTKNOOJ-CHWSQXEVSA-N 2 0 346.462 3.252 20 0 EGADRP CCCCn1nc(C)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1Cl ZINC000779985225 1304628801 /nfs/dbraw/zinc/62/88/01/1304628801.db2.gz AUMCFTDKFYWRSO-UHFFFAOYSA-N 2 0 326.916 3.467 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000892581635 1305451253 /nfs/dbraw/zinc/45/12/53/1305451253.db2.gz ZVJZBGSDZDOLGA-MSOLQXFVSA-N 2 0 334.504 3.202 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892815510 1305564925 /nfs/dbraw/zinc/56/49/25/1305564925.db2.gz CEVBQUWWEOGTIM-KRWDZBQOSA-N 2 0 335.923 3.406 20 0 EGADRP CCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893412269 1305881964 /nfs/dbraw/zinc/88/19/64/1305881964.db2.gz LQZGQRUOSCWLNV-VQIMIIECSA-N 2 0 326.488 3.212 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788497512 1305956757 /nfs/dbraw/zinc/95/67/57/1305956757.db2.gz JDNNUNPIPILHHB-DLBZAZTESA-N 2 0 341.540 3.344 20 0 EGADRP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895377174 1309305334 /nfs/dbraw/zinc/30/53/34/1309305334.db2.gz KJCOIYZMWNUYOK-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP CC1(c2cccc(Cl)c2)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000796572142 1310036865 /nfs/dbraw/zinc/03/68/65/1310036865.db2.gz FUANXUXMPAFGLX-SFHVURJKSA-N 2 0 336.907 3.150 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000798957826 1310463674 /nfs/dbraw/zinc/46/36/74/1310463674.db2.gz HZMBGGUTBUXGNC-KRWDZBQOSA-N 2 0 339.524 3.051 20 0 EGADRP Cn1cnc(CNC[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000898042176 1310559914 /nfs/dbraw/zinc/55/99/14/1310559914.db2.gz KAJGYXXXFAJDDR-OAQYLSRUSA-N 2 0 340.515 3.448 20 0 EGADRP Cn1cnc(CNC[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000898042175 1310560015 /nfs/dbraw/zinc/56/00/15/1310560015.db2.gz KAJGYXXXFAJDDR-NRFANRHFSA-N 2 0 340.515 3.448 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(CCO)cc2)CC1 ZINC000898171066 1310612701 /nfs/dbraw/zinc/61/27/01/1310612701.db2.gz PXGAOYVGFMYGHC-UWJYYQICSA-N 2 0 330.516 3.354 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000800473611 1310764720 /nfs/dbraw/zinc/76/47/20/1310764720.db2.gz BMRMKXDWZIQXOR-WOJBJXKFSA-N 2 0 328.500 3.447 20 0 EGADRP Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000800898233 1310830393 /nfs/dbraw/zinc/83/03/93/1310830393.db2.gz UJKZFNHIMDJEBC-OAQYLSRUSA-N 2 0 342.483 3.067 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000824765289 1320283952 /nfs/dbraw/zinc/28/39/52/1320283952.db2.gz JGJSZZHOHYCUCU-OAHLLOKOSA-N 2 0 331.287 3.301 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001018961460 1316986985 /nfs/dbraw/zinc/98/69/85/1316986985.db2.gz FSCDTBZIWUMZDY-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018967629 1316987847 /nfs/dbraw/zinc/98/78/47/1316987847.db2.gz HEPGKDPACFIXQD-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1Cl ZINC001018963030 1316988157 /nfs/dbraw/zinc/98/81/57/1316988157.db2.gz VRSIHIDAYROLLM-CABCVRRESA-N 2 0 349.906 3.076 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001019149765 1317071870 /nfs/dbraw/zinc/07/18/70/1317071870.db2.gz DJALVYSABSWUHU-APWZRJJASA-N 2 0 348.450 3.208 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001019468507 1317263679 /nfs/dbraw/zinc/26/36/79/1317263679.db2.gz XXDLBMMJOBJSAC-ROUUACIJSA-N 2 0 349.544 3.010 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000957324630 1317285242 /nfs/dbraw/zinc/28/52/42/1317285242.db2.gz AYXVRTVQWYYNEI-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000957325511 1317286121 /nfs/dbraw/zinc/28/61/21/1317286121.db2.gz OHAOZKLDJBHXHK-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001019823189 1317439695 /nfs/dbraw/zinc/43/96/95/1317439695.db2.gz BMCZFWIKGSTMDF-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000957559382 1317456133 /nfs/dbraw/zinc/45/61/33/1317456133.db2.gz HDVPQYPVQOTEAX-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]cn3)CC2)CC1 ZINC000957559602 1317456719 /nfs/dbraw/zinc/45/67/19/1317456719.db2.gz LPKYYGCNNOFRBU-UHFFFAOYSA-N 2 0 344.503 3.013 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)C1 ZINC000957559464 1317456864 /nfs/dbraw/zinc/45/68/64/1317456864.db2.gz JOBXDEFRMPAFGH-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957559921 1317457195 /nfs/dbraw/zinc/45/71/95/1317457195.db2.gz RAKWGGCDOICLAS-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957561194 1317458776 /nfs/dbraw/zinc/45/87/76/1317458776.db2.gz JCEPLGPSUYSWFR-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000957568274 1317465981 /nfs/dbraw/zinc/46/59/81/1317465981.db2.gz GORLODSPNLRSTR-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000957596557 1317486351 /nfs/dbraw/zinc/48/63/51/1317486351.db2.gz CDPQRHZFKHZPNF-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633686 1317509098 /nfs/dbraw/zinc/50/90/98/1317509098.db2.gz LPBCBUVVNHWDLJ-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000902335056 1317565200 /nfs/dbraw/zinc/56/52/00/1317565200.db2.gz ICGZFHXPHKTTQE-IRXDYDNUSA-N 2 0 335.561 3.328 20 0 EGADRP C[C@H]1C[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000902437501 1317578328 /nfs/dbraw/zinc/57/83/28/1317578328.db2.gz JOKYXKCCEHPLPQ-ZHODDXKCSA-N 2 0 335.495 3.254 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1)C(C)C ZINC000957728735 1317594405 /nfs/dbraw/zinc/59/44/05/1317594405.db2.gz WKAKGAIWZRQHOH-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000902586663 1317597549 /nfs/dbraw/zinc/59/75/49/1317597549.db2.gz RQUGIRUWYHKNPM-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000903096457 1317652447 /nfs/dbraw/zinc/65/24/47/1317652447.db2.gz CSKHNNFYJMNLRI-DITUJHHDSA-N 2 0 326.444 3.077 20 0 EGADRP Fc1ccccc1N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903175884 1317668906 /nfs/dbraw/zinc/66/89/06/1317668906.db2.gz WYWUXRIIBDPKIN-UNPWZGGWSA-N 2 0 329.463 3.152 20 0 EGADRP c1cc([C@@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)ccn1 ZINC000903186451 1317669736 /nfs/dbraw/zinc/66/97/36/1317669736.db2.gz KRDLZOGNOPBQLU-MWDBYQCVSA-N 2 0 327.472 3.049 20 0 EGADRP CC(=O)NCC1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000903252383 1317680966 /nfs/dbraw/zinc/68/09/66/1317680966.db2.gz CDSPZIGITWQSAP-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001020463437 1317708125 /nfs/dbraw/zinc/70/81/25/1317708125.db2.gz COMDKCBWFCVLHS-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccn2)CC(C)C)cc1 ZINC000903575427 1317708171 /nfs/dbraw/zinc/70/81/71/1317708171.db2.gz OINNUOWAGWXZDO-SFHVURJKSA-N 2 0 327.472 3.291 20 0 EGADRP C[N@@H+](Cc1csc2ccccc12)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725181 1317725624 /nfs/dbraw/zinc/72/56/24/1317725624.db2.gz XSWZEJUJQWOKRD-INIZCTEOSA-N 2 0 330.497 3.492 20 0 EGADRP c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903725810 1317725645 /nfs/dbraw/zinc/72/56/45/1317725645.db2.gz HVXGVTYVEPUVFW-WOJBJXKFSA-N 2 0 328.500 3.415 20 0 EGADRP c1ccc(C[C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729000 1317725963 /nfs/dbraw/zinc/72/59/63/1317725963.db2.gz JBABEAHVMYFHPQ-WOJBJXKFSA-N 2 0 328.500 3.100 20 0 EGADRP c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903725808 1317726102 /nfs/dbraw/zinc/72/61/02/1317726102.db2.gz HVXGVTYVEPUVFW-UXHICEINSA-N 2 0 328.500 3.415 20 0 EGADRP C[C@@H]1SCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000903733453 1317727390 /nfs/dbraw/zinc/72/73/90/1317727390.db2.gz KLALLQMBWTYVAR-QXAKKESOSA-N 2 0 346.540 3.324 20 0 EGADRP CCc1csc([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903738172 1317728129 /nfs/dbraw/zinc/72/81/29/1317728129.db2.gz YWVIEJKALOBHBP-DOTOQJQBSA-N 2 0 349.544 3.044 20 0 EGADRP CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903770717 1317732271 /nfs/dbraw/zinc/73/22/71/1317732271.db2.gz YTHMPNVVPWFITO-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000903900113 1317744549 /nfs/dbraw/zinc/74/45/49/1317744549.db2.gz YPUMZZHCMANDDM-ZWKOTPCHSA-N 2 0 331.508 3.137 20 0 EGADRP C[C@@]1(CN2CCC[N@H+](CCCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904302568 1317827666 /nfs/dbraw/zinc/82/76/66/1317827666.db2.gz YBDFFMGKDFEAOG-OAQYLSRUSA-N 2 0 329.532 3.017 20 0 EGADRP CCOc1ccc(C2(C[NH2+]C[C@]3(C)CCC[NH2+]C3)CCOCC2)cc1 ZINC000904361212 1317836690 /nfs/dbraw/zinc/83/66/90/1317836690.db2.gz YFCGNHYCPVTSCE-HXUWFJFHSA-N 2 0 346.515 3.113 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000904404677 1317841952 /nfs/dbraw/zinc/84/19/52/1317841952.db2.gz CKNUVYRYBSEJOZ-KRWDZBQOSA-N 2 0 338.499 3.396 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001020719775 1317885122 /nfs/dbraw/zinc/88/51/22/1317885122.db2.gz QLXDISYNNBNROU-MUGJNUQGSA-N 2 0 347.547 3.211 20 0 EGADRP COCCOc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809739174 1317886517 /nfs/dbraw/zinc/88/65/17/1317886517.db2.gz ZZGXSEDFVFALTP-UHFFFAOYSA-N 2 0 342.483 3.405 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001021091120 1318078328 /nfs/dbraw/zinc/07/83/28/1318078328.db2.gz RZMLZXAFGSLRBV-CAMMJAKZSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960026385 1318318813 /nfs/dbraw/zinc/31/88/13/1318318813.db2.gz ANDQYZWKXXOVOP-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960033968 1318319981 /nfs/dbraw/zinc/31/99/81/1318319981.db2.gz VXOUZUNUEPKIQC-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC000960041755 1318324835 /nfs/dbraw/zinc/32/48/35/1318324835.db2.gz DEJQJDOXZSEWPX-VQTJNVASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000960041778 1318325112 /nfs/dbraw/zinc/32/51/12/1318325112.db2.gz DLKKVFVTSQQUIL-NZSAHSFTSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000960091740 1318349186 /nfs/dbraw/zinc/34/91/86/1318349186.db2.gz MDSWIJMEKLTSIU-YSIASYRMSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(F)c1)[NH+](C)C ZINC000960131236 1318372166 /nfs/dbraw/zinc/37/21/66/1318372166.db2.gz RMPOOLHIHAIDTJ-SNRMKQJTSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC000960132658 1318373621 /nfs/dbraw/zinc/37/36/21/1318373621.db2.gz XEVPIQVJEHGDSL-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960221710 1318417525 /nfs/dbraw/zinc/41/75/25/1318417525.db2.gz XSSHRYJWYJGVGS-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000960310761 1318454705 /nfs/dbraw/zinc/45/47/05/1318454705.db2.gz OFZQBMHJSKOMOK-HSALFYBXSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021742121 1318655168 /nfs/dbraw/zinc/65/51/68/1318655168.db2.gz JWTVBIGZAVHPCM-WOJBJXKFSA-N 2 0 343.515 3.083 20 0 EGADRP FC(F)Cn1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000814294304 1318718289 /nfs/dbraw/zinc/71/82/89/1318718289.db2.gz KPGZATOMDZHUHF-UHFFFAOYSA-N 2 0 326.435 3.035 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960679789 1318789083 /nfs/dbraw/zinc/78/90/83/1318789083.db2.gz FZBORUMNNDIWQF-ROUUACIJSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC000960694037 1318797854 /nfs/dbraw/zinc/79/78/54/1318797854.db2.gz WCVQXAXPKDFUHL-HKUYNNGSSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022200999 1318838209 /nfs/dbraw/zinc/83/82/09/1318838209.db2.gz CATVNTDSSXTVLP-ZCNNSNEGSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022202101 1318840555 /nfs/dbraw/zinc/84/05/55/1318840555.db2.gz PWLLMQOXLJCWQS-ZCNNSNEGSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001022291359 1318880293 /nfs/dbraw/zinc/88/02/93/1318880293.db2.gz YFTGCPXSFSHQQU-RUGDWHBFSA-N 2 0 349.906 3.122 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)CC1CCCCC1 ZINC000960785754 1318887409 /nfs/dbraw/zinc/88/74/09/1318887409.db2.gz IQOHYEPNMIXYNC-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]Cc2cnn(C)c2Cl)C[N@@H+]1Cc1ccccc1 ZINC000815131447 1318905947 /nfs/dbraw/zinc/90/59/47/1318905947.db2.gz DINQPRSPJGABDI-RDJZCZTQSA-N 2 0 346.906 3.464 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)c1ccccc1 ZINC001022363241 1318906927 /nfs/dbraw/zinc/90/69/27/1318906927.db2.gz LCISFJNQJMALOP-OTWHNJEPSA-N 2 0 341.499 3.003 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960827484 1318953864 /nfs/dbraw/zinc/95/38/64/1318953864.db2.gz ZSPDXPGRLUVQPL-FXAWDEMLSA-N 2 0 343.515 3.012 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001022589453 1319005876 /nfs/dbraw/zinc/00/58/76/1319005876.db2.gz XBQLSIODICSMGE-NSHGMRRFSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1)[NH+](C)C ZINC000960865627 1319011384 /nfs/dbraw/zinc/01/13/84/1319011384.db2.gz XKDUEWRKROWFBM-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000815560564 1319015999 /nfs/dbraw/zinc/01/59/99/1319015999.db2.gz KIAXWSYUWSVJST-MRXNPFEDSA-N 2 0 342.462 3.132 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000815576624 1319019360 /nfs/dbraw/zinc/01/93/60/1319019360.db2.gz VIRGGKGOIBXDFA-HNNXBMFYSA-N 2 0 331.460 3.026 20 0 EGADRP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1OC ZINC000815639215 1319034086 /nfs/dbraw/zinc/03/40/86/1319034086.db2.gz PZWLMVUBGJHTID-GOOCMWNKSA-N 2 0 338.879 3.115 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960913138 1319060136 /nfs/dbraw/zinc/06/01/36/1319060136.db2.gz GDQORWSDDYCBNJ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022808597 1319119266 /nfs/dbraw/zinc/11/92/66/1319119266.db2.gz YBAVITJQFUMOEI-HSALFYBXSA-N 2 0 349.563 3.457 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022975534 1319197977 /nfs/dbraw/zinc/19/79/77/1319197977.db2.gz OBRDFXXQZMZQEA-HAGHYFMRSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001023088995 1319257655 /nfs/dbraw/zinc/25/76/55/1319257655.db2.gz UCWGJKISUPOBGQ-AHRSYUTCSA-N 2 0 343.515 3.204 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817286004 1319313974 /nfs/dbraw/zinc/31/39/74/1319313974.db2.gz OXYIUESCHWDLBZ-MRXNPFEDSA-N 2 0 348.362 3.062 20 0 EGADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817414026 1319352778 /nfs/dbraw/zinc/35/27/78/1319352778.db2.gz PPKQYSHEWDSRNF-UHFFFAOYSA-N 2 0 347.894 3.192 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902558 1319456782 /nfs/dbraw/zinc/45/67/82/1319456782.db2.gz TYWIMIVLXXSFLT-IAQYHMDHSA-N 2 0 329.257 3.108 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817906195 1319456894 /nfs/dbraw/zinc/45/68/94/1319456894.db2.gz YARBUPCUFZZXCD-SPLOXXLWSA-N 2 0 335.451 3.386 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817917928 1319460487 /nfs/dbraw/zinc/46/04/87/1319460487.db2.gz VOJQARFIGOXGHK-HACGYAERSA-N 2 0 328.859 3.413 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817926861 1319462677 /nfs/dbraw/zinc/46/26/77/1319462677.db2.gz AZONOJLTTAGIOF-BTDLBPIBSA-N 2 0 337.826 3.025 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000817927861 1319463701 /nfs/dbraw/zinc/46/37/01/1319463701.db2.gz RKIROUOEGRSECS-YSSFQJQWSA-N 2 0 327.472 3.258 20 0 EGADRP C[C@]1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1(Cl)Cl ZINC000817935313 1319464426 /nfs/dbraw/zinc/46/44/26/1319464426.db2.gz BSPTWWDLEHRQNW-NUEKZKHPSA-N 2 0 341.282 3.416 20 0 EGADRP C[C@@H](N[C@@H](C)c1cc(Br)ncc1F)[C@@H]1CCC[NH2+]C1 ZINC000817946848 1319472384 /nfs/dbraw/zinc/47/23/84/1319472384.db2.gz GKKPXRZBEDWSIK-OUAUKWLOSA-N 2 0 330.245 3.022 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(Br)nc1 ZINC000817948623 1319473404 /nfs/dbraw/zinc/47/34/04/1319473404.db2.gz JBLSSYPTPJZWCC-GFCCVEGCSA-N 2 0 334.261 3.196 20 0 EGADRP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817959393 1319477776 /nfs/dbraw/zinc/47/77/76/1319477776.db2.gz CTMKSMALFLZBFW-HUUCEWRRSA-N 2 0 327.513 3.272 20 0 EGADRP CCC[NH2+]CCN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817961802 1319477855 /nfs/dbraw/zinc/47/78/55/1319477855.db2.gz CPCCPARDEYQTHL-KRWDZBQOSA-N 2 0 333.520 3.331 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC[NH2+]CC1 ZINC000817974964 1319482244 /nfs/dbraw/zinc/48/22/44/1319482244.db2.gz OUHPSYNNIDHJRY-LLVKDONJSA-N 2 0 346.302 3.242 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cn1cccn1 ZINC000817980163 1319483731 /nfs/dbraw/zinc/48/37/31/1319483731.db2.gz JKHXMCMPLKVNQK-VQIMIIECSA-N 2 0 342.487 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023402917 1319509933 /nfs/dbraw/zinc/50/99/33/1319509933.db2.gz WPERMNGGTWZRPN-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)sc2nc(C)nc(C)c12 ZINC000915681877 1319519310 /nfs/dbraw/zinc/51/93/10/1319519310.db2.gz GNBOQJUMGWSYDC-HUUCEWRRSA-N 2 0 330.501 3.333 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc(=O)oc2c1 ZINC000818340359 1319529716 /nfs/dbraw/zinc/52/97/16/1319529716.db2.gz LFCGQLPODUJNKN-OAHLLOKOSA-N 2 0 340.467 3.319 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379921 1319536632 /nfs/dbraw/zinc/53/66/32/1319536632.db2.gz XEFCZMCZKCEOGK-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961378549 1319536776 /nfs/dbraw/zinc/53/67/76/1319536776.db2.gz OGEOBOQICZPEPZ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001023445943 1319546632 /nfs/dbraw/zinc/54/66/32/1319546632.db2.gz FUCLDFSOPGWFIB-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453614 1319556683 /nfs/dbraw/zinc/55/66/83/1319556683.db2.gz CYRKFEJOZBWCFS-NVXWUHKLSA-N 2 0 342.487 3.131 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961415209 1319572935 /nfs/dbraw/zinc/57/29/35/1319572935.db2.gz IZKSMQOCNIWVRZ-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000818960455 1319591983 /nfs/dbraw/zinc/59/19/83/1319591983.db2.gz ZGPYGFSNPYFDQZ-KBXCAEBGSA-N 2 0 326.431 3.242 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961441690 1319595386 /nfs/dbraw/zinc/59/53/86/1319595386.db2.gz PYXNAVPPEOCLDZ-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000818971413 1319598245 /nfs/dbraw/zinc/59/82/45/1319598245.db2.gz WEMADDOJWAMVBX-GOSISDBHSA-N 2 0 334.410 3.240 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818980914 1319601468 /nfs/dbraw/zinc/60/14/68/1319601468.db2.gz PEKLZAFGVVMEOS-BLLLJJGKSA-N 2 0 331.287 3.348 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(F)c1 ZINC000819015572 1319613723 /nfs/dbraw/zinc/61/37/23/1319613723.db2.gz KHUCDPGSOPXRGG-NQIIRXRSSA-N 2 0 342.458 3.013 20 0 EGADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000819049662 1319622638 /nfs/dbraw/zinc/62/26/38/1319622638.db2.gz MVZVKFGFBHKWOR-SFHVURJKSA-N 2 0 326.431 3.244 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819133064 1319644444 /nfs/dbraw/zinc/64/44/44/1319644444.db2.gz KTNWHSJTLMUZNV-SQWLQELKSA-N 2 0 346.393 3.081 20 0 EGADRP Cc1ccccc1OC[C@H](O)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819142553 1319647389 /nfs/dbraw/zinc/64/73/89/1319647389.db2.gz OEBYYRDDCCHXOD-SOAGJPPSSA-N 2 0 346.515 3.121 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001023696821 1319824432 /nfs/dbraw/zinc/82/44/32/1319824432.db2.gz XIFRSPBGEMGZAX-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761984 1319907450 /nfs/dbraw/zinc/90/74/50/1319907450.db2.gz OHJICSZAJLZWEQ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962385562 1319945482 /nfs/dbraw/zinc/94/54/82/1319945482.db2.gz QNAMUHJUFMIOQS-NKELODKYSA-N 2 0 349.563 3.170 20 0 EGADRP CCCC1(C[NH2+]CCC[NH+](C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822452389 1320083985 /nfs/dbraw/zinc/08/39/85/1320083985.db2.gz ZLMXQCFIZYTWMS-UHFFFAOYSA-N 2 0 341.540 3.345 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1 ZINC000822919560 1320136683 /nfs/dbraw/zinc/13/66/83/1320136683.db2.gz JSSDBHXVTJNTHB-QGZVFWFLSA-N 2 0 344.459 3.272 20 0 EGADRP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccnc(Cl)c3F)nc2)C1 ZINC000824027681 1320223253 /nfs/dbraw/zinc/22/32/53/1320223253.db2.gz OCZZUHYPFNBGHD-AWEZNQCLSA-N 2 0 349.841 3.022 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930545562 1328892174 /nfs/dbraw/zinc/89/21/74/1328892174.db2.gz NVKLPEAFJNRPMS-IAGOWNOFSA-N 2 0 347.503 3.116 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OCC ZINC000841032596 1321204426 /nfs/dbraw/zinc/20/44/26/1321204426.db2.gz UKUGVXFPZRGKDI-UHFFFAOYSA-N 2 0 328.456 3.275 20 0 EGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032170 1321204431 /nfs/dbraw/zinc/20/44/31/1321204431.db2.gz NTRWAINZEGMPFT-HXUWFJFHSA-N 2 0 330.447 3.064 20 0 EGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032169 1321204490 /nfs/dbraw/zinc/20/44/90/1321204490.db2.gz NTRWAINZEGMPFT-FQEVSTJZSA-N 2 0 330.447 3.064 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(-c2cnn(C)c2)c1 ZINC000841035403 1321205022 /nfs/dbraw/zinc/20/50/22/1321205022.db2.gz ZUEFFNOGXDHSHL-UHFFFAOYSA-N 2 0 334.467 3.187 20 0 EGADRP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215003 1328947924 /nfs/dbraw/zinc/94/79/24/1328947924.db2.gz WTOSURCVKMTUKI-KURKYZTESA-N 2 0 345.531 3.073 20 0 EGADRP CC(C)[C@@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[C@@H](C)[NH3+] ZINC000841826290 1321320084 /nfs/dbraw/zinc/32/00/84/1321320084.db2.gz GSEKWGQMMHZIGT-RHSMWYFYSA-N 2 0 328.460 3.419 20 0 EGADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216065 1328949458 /nfs/dbraw/zinc/94/94/58/1328949458.db2.gz WZIDXADDGOBDAV-XLIONFOSSA-N 2 0 345.531 3.360 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000842475997 1321392862 /nfs/dbraw/zinc/39/28/62/1321392862.db2.gz DAOVZDXGBXAUEL-KRWDZBQOSA-N 2 0 333.524 3.093 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842710737 1321422517 /nfs/dbraw/zinc/42/25/17/1321422517.db2.gz CDSYLYWNLTZOLA-LLVKDONJSA-N 2 0 346.700 3.319 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000843104933 1321471264 /nfs/dbraw/zinc/47/12/64/1321471264.db2.gz OUZHAPRSMPGXKB-OFLPRAFFSA-N 2 0 338.879 3.257 20 0 EGADRP CC(C)n1ncc2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)c(Cl)nc21 ZINC000843127364 1321474311 /nfs/dbraw/zinc/47/43/11/1321474311.db2.gz QJWNFTPBZUNUDL-UHFFFAOYSA-N 2 0 347.894 3.241 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000843186671 1321484158 /nfs/dbraw/zinc/48/41/58/1321484158.db2.gz BMESQLXQFKWDGW-HNNXBMFYSA-N 2 0 346.475 3.374 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000843340508 1321502061 /nfs/dbraw/zinc/50/20/61/1321502061.db2.gz RHYYUDVIIQZWIP-GDAAHCPNSA-N 2 0 341.499 3.242 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000843348730 1321503513 /nfs/dbraw/zinc/50/35/13/1321503513.db2.gz OQVPZDXOQKSLHJ-INIZCTEOSA-N 2 0 337.467 3.351 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000843386873 1321509219 /nfs/dbraw/zinc/50/92/19/1321509219.db2.gz DOCISLPFVFNXDP-IRXDYDNUSA-N 2 0 340.467 3.231 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843386796 1321509476 /nfs/dbraw/zinc/50/94/76/1321509476.db2.gz MJHNZPFYNIYHQK-IRXDYDNUSA-N 2 0 340.467 3.313 20 0 EGADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2ccccc2c1 ZINC000843387086 1321509755 /nfs/dbraw/zinc/50/97/55/1321509755.db2.gz DUPJHNUMJLNQTE-RTBURBONSA-N 2 0 337.467 3.100 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000843386871 1321509840 /nfs/dbraw/zinc/50/98/40/1321509840.db2.gz DOCISLPFVFNXDP-DLBZAZTESA-N 2 0 340.467 3.231 20 0 EGADRP [NH3+]CCCCCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000846695629 1321802032 /nfs/dbraw/zinc/80/20/32/1321802032.db2.gz DUPCWDMUSUQRSX-UHFFFAOYSA-N 2 0 335.517 3.332 20 0 EGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808809 1321810840 /nfs/dbraw/zinc/81/08/40/1321810840.db2.gz JPYCZVRCMZURAG-MRXNPFEDSA-N 2 0 337.305 3.368 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000848894849 1322034363 /nfs/dbraw/zinc/03/43/63/1322034363.db2.gz PQTNFFGBUGIRHN-SNGWPZLWSA-N 2 0 334.460 3.210 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000848895949 1322036148 /nfs/dbraw/zinc/03/61/48/1322036148.db2.gz ZHCPNQMAZQLYJQ-SCOAYWHSSA-N 2 0 334.460 3.068 20 0 EGADRP C[C@H]1CCC[C@@H]1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849075830 1322068280 /nfs/dbraw/zinc/06/82/80/1322068280.db2.gz NDWMURRLSCYPOC-FUHWJXTLSA-N 2 0 328.504 3.201 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849090821 1322074878 /nfs/dbraw/zinc/07/48/78/1322074878.db2.gz QUOJXKKRRBVCCP-GFCCVEGCSA-N 2 0 330.398 3.050 20 0 EGADRP [NH2+]=C(NC[C@@H]1CSCCN1Cc1ccccc1)N1CCCCCC1 ZINC000849103363 1322079285 /nfs/dbraw/zinc/07/92/85/1322079285.db2.gz PNSFLGRBGGKSSZ-GOSISDBHSA-N 2 0 346.544 3.004 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000849105403 1322079848 /nfs/dbraw/zinc/07/98/48/1322079848.db2.gz KPZVDLHEYFYQMY-HSALFYBXSA-N 2 0 336.483 3.294 20 0 EGADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000849107095 1322080845 /nfs/dbraw/zinc/08/08/45/1322080845.db2.gz HXCSFEWQWMAEEP-UHFFFAOYSA-N 2 0 332.370 3.300 20 0 EGADRP CC(C)[C@@H](CNC(=O)CCCC[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000920762478 1322219460 /nfs/dbraw/zinc/21/94/60/1322219460.db2.gz IUTPASVWUAGGAD-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850435486 1322249023 /nfs/dbraw/zinc/24/90/23/1322249023.db2.gz AHMMIHVIVPDORP-SJORKVTESA-N 2 0 344.499 3.163 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)cc1C[NH+]1CCCCC1 ZINC000850517595 1322260451 /nfs/dbraw/zinc/26/04/51/1322260451.db2.gz XKZPHSJJJOUSBU-SJORKVTESA-N 2 0 346.515 3.493 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000922180663 1322473164 /nfs/dbraw/zinc/47/31/64/1322473164.db2.gz FDXJXHPWQYPIJR-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)c1nc([C@@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)no1 ZINC000923369791 1322741312 /nfs/dbraw/zinc/74/13/12/1322741312.db2.gz OQLHPLNUZKZYOI-IFFAKLHKSA-N 2 0 332.492 3.293 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC000923390860 1322744073 /nfs/dbraw/zinc/74/40/73/1322744073.db2.gz WKGVELHPTSFAPA-RDTXWAMCSA-N 2 0 340.870 3.224 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923483575 1322760246 /nfs/dbraw/zinc/76/02/46/1322760246.db2.gz CQTDOZXDKLKFLO-YLJYHZDGSA-N 2 0 337.467 3.346 20 0 EGADRP O[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000923508391 1322765322 /nfs/dbraw/zinc/76/53/22/1322765322.db2.gz VBKZZIMUDOBGTG-AUUYWEPGSA-N 2 0 338.442 3.100 20 0 EGADRP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1cccc(C)c1 ZINC000924566232 1323056240 /nfs/dbraw/zinc/05/62/40/1323056240.db2.gz WFGNJDZGNQHLMR-VCSGRIEYSA-N 2 0 345.531 3.053 20 0 EGADRP CC1(C)CC([NH2+]C2CCN(OCc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000924570094 1323057673 /nfs/dbraw/zinc/05/76/73/1323057673.db2.gz MJVUPBOCQRLCIQ-UHFFFAOYSA-N 2 0 345.531 3.481 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024010161 1323078187 /nfs/dbraw/zinc/07/81/87/1323078187.db2.gz HPVKETFSYIABES-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001024017017 1323079204 /nfs/dbraw/zinc/07/92/04/1323079204.db2.gz RQTGUGVZCXXHFW-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000924647105 1323092563 /nfs/dbraw/zinc/09/25/63/1323092563.db2.gz YMGVVSNGCILEAM-INIZCTEOSA-N 2 0 326.488 3.174 20 0 EGADRP CON1CCC([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000924670412 1323104260 /nfs/dbraw/zinc/10/42/60/1323104260.db2.gz ZYFKLDQNEWDVAS-QGZVFWFLSA-N 2 0 331.504 3.034 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924689040 1323113499 /nfs/dbraw/zinc/11/34/99/1323113499.db2.gz WGZGNXJWDDZCCZ-RLLQIKCJSA-N 2 0 332.536 3.233 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2CCCO)c1 ZINC000924704414 1323122450 /nfs/dbraw/zinc/12/24/50/1323122450.db2.gz PBVVSJNMFKPLEC-ICSRJNTNSA-N 2 0 334.504 3.048 20 0 EGADRP CC1(C)OC[C@H](CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000852039633 1323137101 /nfs/dbraw/zinc/13/71/01/1323137101.db2.gz HJOQLFTWYWHIOD-FPOVZHCZSA-N 2 0 344.499 3.126 20 0 EGADRP CC1(C)OC[C@@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)O1 ZINC000852087415 1323144511 /nfs/dbraw/zinc/14/45/11/1323144511.db2.gz ZSWWZBCGMLYZGR-LJQANCHMSA-N 2 0 344.499 3.126 20 0 EGADRP CCCC[NH+]1CCC([NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000924848753 1323186344 /nfs/dbraw/zinc/18/63/44/1323186344.db2.gz ZQFZYYUIVZYOAT-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1cc(C[NH2+]C2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cs1 ZINC000963158267 1323220427 /nfs/dbraw/zinc/22/04/27/1323220427.db2.gz WHTPQUUSZHBHEF-ABHNRTSZSA-N 2 0 349.544 3.010 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000924962159 1323229485 /nfs/dbraw/zinc/22/94/85/1323229485.db2.gz ZSVVSXYSEUDWKZ-LEWJYISDSA-N 2 0 340.515 3.373 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001024278144 1323256249 /nfs/dbraw/zinc/25/62/49/1323256249.db2.gz DPCSMBSDQRDZKB-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000925089798 1323275974 /nfs/dbraw/zinc/27/59/74/1323275974.db2.gz SHAUVDZOGMKFMW-IBGZPJMESA-N 2 0 343.515 3.171 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925093834 1323277525 /nfs/dbraw/zinc/27/75/25/1323277525.db2.gz MAEYASJNBJVYHA-SJORKVTESA-N 2 0 346.515 3.066 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853100191 1323281687 /nfs/dbraw/zinc/28/16/87/1323281687.db2.gz ZJKKELLLFRLUKF-UTKZUKDTSA-N 2 0 339.483 3.279 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479154 1323430907 /nfs/dbraw/zinc/43/09/07/1323430907.db2.gz AOEDDZKKHBCTGA-RTBURBONSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520384 1323468371 /nfs/dbraw/zinc/46/83/71/1323468371.db2.gz JLLKIKILPKKFQW-KRWDZBQOSA-N 2 0 340.471 3.193 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024570680 1323507903 /nfs/dbraw/zinc/50/79/03/1323507903.db2.gz NGGSZKBQXXFEQU-LJQANCHMSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618864 1323547081 /nfs/dbraw/zinc/54/70/81/1323547081.db2.gz ZDXMJMDQWUFUPJ-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2=CCCCC2)CC1 ZINC001024633276 1323558646 /nfs/dbraw/zinc/55/86/46/1323558646.db2.gz GYJBRTAXCZVHPF-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811555 1323713351 /nfs/dbraw/zinc/71/33/51/1323713351.db2.gz UWSAADVITNDOAM-APWZRJJASA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001024968497 1323804104 /nfs/dbraw/zinc/80/41/04/1323804104.db2.gz YXRCALPULRQQFD-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024979766 1323811984 /nfs/dbraw/zinc/81/19/84/1323811984.db2.gz YISWUFSRFOFGMP-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024989662 1323815408 /nfs/dbraw/zinc/81/54/08/1323815408.db2.gz VXOUZUNUEPKIQC-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025008775 1323824171 /nfs/dbraw/zinc/82/41/71/1323824171.db2.gz BGSWRELWGUDADV-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CC1 ZINC001025067351 1323866227 /nfs/dbraw/zinc/86/62/27/1323866227.db2.gz PIJALFBZEFSFGN-AFMYVXGZSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001025104996 1323897094 /nfs/dbraw/zinc/89/70/94/1323897094.db2.gz KTVDUTXOCXWPPE-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC1CCC1)C1CCC1 ZINC001025241380 1324036394 /nfs/dbraw/zinc/03/63/94/1324036394.db2.gz WWWAKUBFQFCPLI-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261583 1324072467 /nfs/dbraw/zinc/07/24/67/1324072467.db2.gz XAHVXDABASQJSI-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCSc1ccccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000931550046 1329141735 /nfs/dbraw/zinc/14/17/35/1329141735.db2.gz SFOUWJLNULGXRW-UHFFFAOYSA-N 2 0 333.545 3.010 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557241 1324406499 /nfs/dbraw/zinc/40/64/99/1324406499.db2.gz FPRSSOKNVFQAKK-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559956 1324407340 /nfs/dbraw/zinc/40/73/40/1324407340.db2.gz YGYIKSDPDIZRRW-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP COc1cccc([C@@H](O)C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000860144348 1329158105 /nfs/dbraw/zinc/15/81/05/1329158105.db2.gz XACHRQJYYONJMZ-CTNGQTDRSA-N 2 0 346.515 3.315 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026492736 1324846988 /nfs/dbraw/zinc/84/69/88/1324846988.db2.gz VWUVDLICYFMVAY-SOAGJPPSSA-N 2 0 349.563 3.457 20 0 EGADRP C[NH+]1CCC(C(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001026553554 1324889460 /nfs/dbraw/zinc/88/94/60/1324889460.db2.gz HAFFRWRZMPPZGL-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026561341 1324896451 /nfs/dbraw/zinc/89/64/51/1324896451.db2.gz XBFLCTANJIOKRD-IVMQYODDSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)CC1 ZINC001026572162 1324904277 /nfs/dbraw/zinc/90/42/77/1324904277.db2.gz DFZXRBUYQUKTBS-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001026844345 1325043231 /nfs/dbraw/zinc/04/32/31/1325043231.db2.gz HOKQCOXBBRGYME-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315766 1325100587 /nfs/dbraw/zinc/10/05/87/1325100587.db2.gz YGFYWPITURMRIO-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CN2CC[C@@H](C3CCCCC3)C2=O)CC1 ZINC000853496731 1325106052 /nfs/dbraw/zinc/10/60/52/1325106052.db2.gz JUWBJIAWQJJTBK-FQEVSTJZSA-N 2 0 349.563 3.425 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC1 ZINC000925417025 1325146063 /nfs/dbraw/zinc/14/60/63/1325146063.db2.gz KAHAQKGCYREINE-LJQANCHMSA-N 2 0 340.458 3.272 20 0 EGADRP c1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)OCCCO2 ZINC000925480262 1325168226 /nfs/dbraw/zinc/16/82/26/1325168226.db2.gz JHMLDDAKYGATFS-QZTJIDSGSA-N 2 0 330.472 3.106 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)c2)c1 ZINC000925494229 1325176322 /nfs/dbraw/zinc/17/63/22/1325176322.db2.gz JGJSAVRMMQZPKA-SFTDATJTSA-N 2 0 338.499 3.189 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000925549898 1325203705 /nfs/dbraw/zinc/20/37/05/1325203705.db2.gz ZXMZPUVLNKFOLM-FQEVSTJZSA-N 2 0 337.467 3.383 20 0 EGADRP CCNC(=O)c1cccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925586901 1325222436 /nfs/dbraw/zinc/22/24/36/1325222436.db2.gz VJDFCWUGRAFHGF-LJQANCHMSA-N 2 0 325.456 3.006 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc[nH+]1 ZINC000925613818 1325231293 /nfs/dbraw/zinc/23/12/93/1325231293.db2.gz FCWWCRRLQDHGET-LEWJYISDSA-N 2 0 342.531 3.056 20 0 EGADRP [NH3+]CCC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1 ZINC000925676500 1325259339 /nfs/dbraw/zinc/25/93/39/1325259339.db2.gz NEQREGXVZIGWNC-WMZOPIPTSA-N 2 0 341.430 3.001 20 0 EGADRP c1cc([C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CCO2)ccn1 ZINC000925691533 1325263521 /nfs/dbraw/zinc/26/35/21/1325263521.db2.gz NRSJWMCMZFJLKD-ZRNYENFQSA-N 2 0 329.488 3.060 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCCC2 ZINC000925768952 1325292200 /nfs/dbraw/zinc/29/22/00/1325292200.db2.gz MYIXOKAUAFQLMI-IMBTUZDBSA-N 2 0 344.499 3.449 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000925768949 1325292713 /nfs/dbraw/zinc/29/27/13/1325292713.db2.gz MYIXOKAUAFQLMI-DODZYUBVSA-N 2 0 344.499 3.449 20 0 EGADRP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806738 1325309008 /nfs/dbraw/zinc/30/90/08/1325309008.db2.gz AERABQCCEMYXDM-NRFANRHFSA-N 2 0 339.458 3.008 20 0 EGADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925807949 1325310121 /nfs/dbraw/zinc/31/01/21/1325310121.db2.gz IRPOOMBCEINTHE-NRFANRHFSA-N 2 0 339.458 3.008 20 0 EGADRP Fc1ccc(N2CCC([NH2+]C[C@]34CCC[C@H]3[NH2+]CC4)CC2)c(F)c1 ZINC000925841188 1325324096 /nfs/dbraw/zinc/32/40/96/1325324096.db2.gz HOIARFJYTJKQFM-RTBURBONSA-N 2 0 335.442 3.055 20 0 EGADRP CC(C)C[NH2+]C1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000964021764 1325476882 /nfs/dbraw/zinc/47/68/82/1325476882.db2.gz GSQXWUNJXQKCBH-UHFFFAOYSA-N 2 0 345.531 3.377 20 0 EGADRP CC(C)c1ccc([C@@H]([NH2+]CCOCC[NH+](C)C)c2cccnc2)cc1 ZINC000926258786 1325493555 /nfs/dbraw/zinc/49/35/55/1325493555.db2.gz WRJNPSLPSHUFEJ-OAQYLSRUSA-N 2 0 341.499 3.462 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C[C@H]1C ZINC000857165769 1325586911 /nfs/dbraw/zinc/58/69/11/1325586911.db2.gz AVOWEPNZRHGHJY-UWVAXJGDSA-N 2 0 343.515 3.051 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)n1 ZINC000926572216 1327620020 /nfs/dbraw/zinc/62/00/20/1327620020.db2.gz CVQIYRDBLYBRHS-OLZOCXBDSA-N 2 0 326.282 3.227 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001027417527 1327643181 /nfs/dbraw/zinc/64/31/81/1327643181.db2.gz ALUXOIQKYUEPOW-GBESFXJTSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926675468 1327660992 /nfs/dbraw/zinc/66/09/92/1327660992.db2.gz ACDWTDANVKMBHG-UMQXSMKFSA-N 2 0 334.479 3.378 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000926694559 1327670067 /nfs/dbraw/zinc/67/00/67/1327670067.db2.gz RNLCYOPQVMDJKA-OHSMVPPVSA-N 2 0 328.500 3.323 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC001027445105 1327685927 /nfs/dbraw/zinc/68/59/27/1327685927.db2.gz ZWENOCQPXFEIQJ-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001027461855 1327710686 /nfs/dbraw/zinc/71/06/86/1327710686.db2.gz QOPITVZLDGGTAP-VQTJNVASSA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027473641 1327730669 /nfs/dbraw/zinc/73/06/69/1327730669.db2.gz PQRLEJLGBIADPK-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cccc(C[NH+](C)C)c1 ZINC000926829529 1327735324 /nfs/dbraw/zinc/73/53/24/1327735324.db2.gz IGLVLXNIESXXFE-ZDUSSCGKSA-N 2 0 340.393 3.314 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC1 ZINC000927059041 1327833271 /nfs/dbraw/zinc/83/32/71/1327833271.db2.gz XKIWZWIIDGNODQ-SJQORLFUSA-N 2 0 336.520 3.302 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1)[NH+](C)C ZINC001027578110 1327913384 /nfs/dbraw/zinc/91/33/84/1327913384.db2.gz CUPNIOBJBPXTBK-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCC3CCCCC3)C2)C1 ZINC001027576366 1327914127 /nfs/dbraw/zinc/91/41/27/1327914127.db2.gz NNTXHMZUGWPTTL-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027694353 1328100397 /nfs/dbraw/zinc/10/03/97/1328100397.db2.gz WDOOHOKLUZJXBS-QZTJIDSGSA-N 2 0 349.544 3.045 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694643 1328101134 /nfs/dbraw/zinc/10/11/34/1328101134.db2.gz FETBCOXUYSWKRU-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027694503 1328101184 /nfs/dbraw/zinc/10/11/84/1328101184.db2.gz AQMTYJZBNKQQAR-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966076849 1328171303 /nfs/dbraw/zinc/17/13/03/1328171303.db2.gz ODCLTHCFOCTCGO-QZTJIDSGSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027879198 1328344663 /nfs/dbraw/zinc/34/46/63/1328344663.db2.gz PAJBKDISWUMJFL-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001027893482 1328358807 /nfs/dbraw/zinc/35/88/07/1328358807.db2.gz XIJZVFPEJBIUMO-HSALFYBXSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001027963606 1328435182 /nfs/dbraw/zinc/43/51/82/1328435182.db2.gz BOUVLPJMOXKLAI-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029512 1328492250 /nfs/dbraw/zinc/49/22/50/1328492250.db2.gz GKDYZSVFSSDJIN-JXFKEZNVSA-N 2 0 348.450 3.290 20 0 EGADRP Cc1c(Cl)cccc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000865416280 1329694107 /nfs/dbraw/zinc/69/41/07/1329694107.db2.gz XHYPVVIFNWHENN-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1cccs1 ZINC000933458281 1329890767 /nfs/dbraw/zinc/89/07/67/1329890767.db2.gz ZLOJDMPLKWFUTK-RHSMWYFYSA-N 2 0 337.533 3.025 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000933770720 1329921026 /nfs/dbraw/zinc/92/10/26/1329921026.db2.gz MJOLWSCPEVVSIB-KRWDZBQOSA-N 2 0 347.503 3.069 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000935584215 1330061867 /nfs/dbraw/zinc/06/18/67/1330061867.db2.gz DZXYJQPPQOXDLM-UHFFFAOYSA-N 2 0 335.492 3.069 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866423957 1330109760 /nfs/dbraw/zinc/10/97/60/1330109760.db2.gz BINSHPKUPPUUTF-NSHGMRRFSA-N 2 0 346.515 3.276 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000866467973 1330116068 /nfs/dbraw/zinc/11/60/68/1330116068.db2.gz WDYUEIXTEXSCIV-IKGGRYGDSA-N 2 0 328.591 3.466 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000866469315 1330116489 /nfs/dbraw/zinc/11/64/89/1330116489.db2.gz KZLRRNNYANBBBX-KRWDZBQOSA-N 2 0 341.503 3.428 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000866666465 1330139419 /nfs/dbraw/zinc/13/94/19/1330139419.db2.gz SAOQIDUZQJJPEN-OALUTQOASA-N 2 0 329.488 3.176 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000866666110 1330139560 /nfs/dbraw/zinc/13/95/60/1330139560.db2.gz NVGAAOOUCXXHGR-HOTGVXAUSA-N 2 0 341.455 3.172 20 0 EGADRP Cc1cccc(C(=O)NC2CC[NH+](CCCCCCC[NH3+])CC2)c1 ZINC000866697496 1330142173 /nfs/dbraw/zinc/14/21/73/1330142173.db2.gz RBFCTDHRKZNIOD-UHFFFAOYSA-N 2 0 331.504 3.098 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000939810361 1330992352 /nfs/dbraw/zinc/99/23/52/1330992352.db2.gz LXOQXSCSNTUBPY-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102348 1331830969 /nfs/dbraw/zinc/83/09/69/1331830969.db2.gz XQJMYHOYLHFTGQ-ZBFHGGJFSA-N 2 0 337.533 3.050 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558554 1331973218 /nfs/dbraw/zinc/97/32/18/1331973218.db2.gz YFYTXWIEQZADGF-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028269 1332480876 /nfs/dbraw/zinc/48/08/76/1332480876.db2.gz GVWRDZNQIBRZMO-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]2CC1)[NH+](C)C ZINC000946642831 1332869470 /nfs/dbraw/zinc/86/94/70/1332869470.db2.gz QXSOVEZNPWUQOV-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904570 1332929268 /nfs/dbraw/zinc/92/92/68/1332929268.db2.gz JZKRCOKOJIKFFY-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CC1CCCC1 ZINC000947506043 1333149362 /nfs/dbraw/zinc/14/93/62/1333149362.db2.gz JEMCWYLQCXCCFQ-CRAIPNDOSA-N 2 0 340.471 3.107 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947505721 1333149808 /nfs/dbraw/zinc/14/98/08/1333149808.db2.gz CZPBVRGSFPACAS-QAPCUYQASA-N 2 0 342.487 3.353 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC(C)(C)C ZINC000947727546 1333242264 /nfs/dbraw/zinc/24/22/64/1333242264.db2.gz YXABLTAJFNQLFP-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C/C=C/Cl ZINC000947799618 1333264828 /nfs/dbraw/zinc/26/48/28/1333264828.db2.gz CAZMCHZKWKLUEW-PRQNKSSRSA-N 2 0 349.906 3.083 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947853881 1333281112 /nfs/dbraw/zinc/28/11/12/1333281112.db2.gz XOVUTKHVKJOBQU-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1c(C(=O)N(C)[C@H]2CCC[N@@H+](CC(C)C)CC2)ccc2c[nH+]cn21 ZINC000948571070 1333581893 /nfs/dbraw/zinc/58/18/93/1333581893.db2.gz YNHXITZLUNLQDA-KRWDZBQOSA-N 2 0 342.487 3.225 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620844 1333599763 /nfs/dbraw/zinc/59/97/63/1333599763.db2.gz JLWCLSCQTUITPX-AEFFLSMTSA-N 2 0 342.487 3.307 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620878 1333599847 /nfs/dbraw/zinc/59/98/47/1333599847.db2.gz KABXACCKPPVFSL-DOTOQJQBSA-N 2 0 346.450 3.009 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710961 1333642847 /nfs/dbraw/zinc/64/28/47/1333642847.db2.gz IZTXUFYJVQQFEE-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948743087 1333654776 /nfs/dbraw/zinc/65/47/76/1333654776.db2.gz OVWMDFHKDCFWEJ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948775376 1333673752 /nfs/dbraw/zinc/67/37/52/1333673752.db2.gz HALVTHHEBGENES-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)Cc1cnc[nH]1)[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000948811975 1333692311 /nfs/dbraw/zinc/69/23/11/1333692311.db2.gz CTHLNUMUIAWZRF-IBGZPJMESA-N 2 0 346.519 3.236 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948828970 1333700694 /nfs/dbraw/zinc/70/06/94/1333700694.db2.gz ALDWKLAYLRZKIS-RBUKOAKNSA-N 2 0 337.552 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851849 1333709469 /nfs/dbraw/zinc/70/94/69/1333709469.db2.gz CKODJRHPJXGPNR-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851863 1333709515 /nfs/dbraw/zinc/70/95/15/1333709515.db2.gz COPWDXNIDQKPEB-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC000952407679 1334450989 /nfs/dbraw/zinc/45/09/89/1334450989.db2.gz YFXTZJZEWKOQJY-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC000952407678 1334451273 /nfs/dbraw/zinc/45/12/73/1334451273.db2.gz YFXTZJZEWKOQJY-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396865 1335725505 /nfs/dbraw/zinc/72/55/05/1335725505.db2.gz IUBWRPWRAQGXSD-DNVCBOLYSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968332750 1335891789 /nfs/dbraw/zinc/89/17/89/1335891789.db2.gz YLMKVOFKALVVTE-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378682 1335910521 /nfs/dbraw/zinc/91/05/21/1335910521.db2.gz ROYCOYDMAOEDOX-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C)CC1 ZINC000968458754 1335931658 /nfs/dbraw/zinc/93/16/58/1335931658.db2.gz DUFSYMABUQGJKI-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683008 1336009271 /nfs/dbraw/zinc/00/92/71/1336009271.db2.gz XGZDBBWMYIQOGA-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968882851 1336079049 /nfs/dbraw/zinc/07/90/49/1336079049.db2.gz VQMLTOIWWVTAQN-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968888272 1336080876 /nfs/dbraw/zinc/08/08/76/1336080876.db2.gz SBENWQCHUUHAKA-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928628 1336092998 /nfs/dbraw/zinc/09/29/98/1336092998.db2.gz QHAJUOGTFYWPGW-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000969968827 1336267640 /nfs/dbraw/zinc/26/76/40/1336267640.db2.gz LACJMRSRICEOFK-LPHOPBHVSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325840 1336294684 /nfs/dbraw/zinc/29/46/84/1336294684.db2.gz KHLQKOHPWMPEPM-QFBILLFUSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000970792155 1336338039 /nfs/dbraw/zinc/33/80/39/1336338039.db2.gz GGPGVBCSLGZLAG-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503140 1336363064 /nfs/dbraw/zinc/36/30/64/1336363064.db2.gz IFABQWFXJMHQJE-MJGOQNOKSA-N 2 0 337.552 3.218 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005814910 1336404006 /nfs/dbraw/zinc/40/40/06/1336404006.db2.gz MSHONXIDQZPMNU-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005874226 1336414061 /nfs/dbraw/zinc/41/40/61/1336414061.db2.gz WASUVFPEKXSEKO-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC(C)C)CC1 ZINC001006279812 1336481249 /nfs/dbraw/zinc/48/12/49/1336481249.db2.gz SRORHLYXICBVOF-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001006923968 1336607685 /nfs/dbraw/zinc/60/76/85/1336607685.db2.gz GRZNCMUBTWLJMO-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007618628 1336678183 /nfs/dbraw/zinc/67/81/83/1336678183.db2.gz KPQHKZWMIYVTBB-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007746682 1336693415 /nfs/dbraw/zinc/69/34/15/1336693415.db2.gz NZXIYTNNHVQTKQ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001008529235 1336876453 /nfs/dbraw/zinc/87/64/53/1336876453.db2.gz DVBZTZQOHUVQMP-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC1 ZINC001008554701 1336880334 /nfs/dbraw/zinc/88/03/34/1336880334.db2.gz ZPJICOWZNXQACG-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001008762605 1336922698 /nfs/dbraw/zinc/92/26/98/1336922698.db2.gz VAVWRNAZIZALGZ-UUKMXZOPSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001008767991 1336923395 /nfs/dbraw/zinc/92/33/95/1336923395.db2.gz MHJOOQGVBOXCTE-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001009049013 1336960460 /nfs/dbraw/zinc/96/04/60/1336960460.db2.gz FLOPRHSZJVXYLY-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)C2)o1 ZINC001009682411 1337059171 /nfs/dbraw/zinc/05/91/71/1337059171.db2.gz NNOOPMFWNPBBEM-QGZVFWFLSA-N 2 0 347.503 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014636605 1337854911 /nfs/dbraw/zinc/85/49/11/1337854911.db2.gz ZCIBJYAXYCNBLC-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1)[NH+]1CCCC1 ZINC001015497205 1338159935 /nfs/dbraw/zinc/15/99/35/1338159935.db2.gz BTFAUNWPUPWPEH-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001015596367 1338200431 /nfs/dbraw/zinc/20/04/31/1338200431.db2.gz BOXLDFINCLJJLM-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001015597187 1338201629 /nfs/dbraw/zinc/20/16/29/1338201629.db2.gz NVMASJBCRMLTBA-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710780 1338270802 /nfs/dbraw/zinc/27/08/02/1338270802.db2.gz RTCPHXSNZRXSDX-MOPGFXCFSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015791175 1338312727 /nfs/dbraw/zinc/31/27/27/1338312727.db2.gz BQGUIWVNCBZAPJ-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015796039 1338315529 /nfs/dbraw/zinc/31/55/29/1338315529.db2.gz UZYIHMWKJFFSAP-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001015796114 1338315566 /nfs/dbraw/zinc/31/55/66/1338315566.db2.gz JNOIQJMIYBLDNK-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015974770 1338387218 /nfs/dbraw/zinc/38/72/18/1338387218.db2.gz HVTBZXQNSTVGHX-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016250653 1338524523 /nfs/dbraw/zinc/52/45/23/1338524523.db2.gz DYONKGXIOBAFGX-YLJYHZDGSA-N 2 0 343.515 3.157 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384261 1338583252 /nfs/dbraw/zinc/58/32/52/1338583252.db2.gz NVZHSJQZFNLBHA-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016661587 1338682064 /nfs/dbraw/zinc/68/20/64/1338682064.db2.gz GOMINQGNTXNKMC-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662559 1338682814 /nfs/dbraw/zinc/68/28/14/1338682814.db2.gz KRHMAYVYSYZDMT-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016820513 1338738371 /nfs/dbraw/zinc/73/83/71/1338738371.db2.gz QGSSFTCFIHWHIS-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016862640 1338751886 /nfs/dbraw/zinc/75/18/86/1338751886.db2.gz HDFXGBDQKNOTMI-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016923831 1338771728 /nfs/dbraw/zinc/77/17/28/1338771728.db2.gz NHUFCHDEWZXELW-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016924807 1338772452 /nfs/dbraw/zinc/77/24/52/1338772452.db2.gz ZWANMUYTYRFGNM-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001016974226 1338788951 /nfs/dbraw/zinc/78/89/51/1338788951.db2.gz JYQPYSLBMCEARY-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016984486 1338792487 /nfs/dbraw/zinc/79/24/87/1338792487.db2.gz ZAEPJTOMDZASJB-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001017141818 1338893043 /nfs/dbraw/zinc/89/30/43/1338893043.db2.gz JHBTZDJRSCYLRP-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2=CCCCC2)C1)[NH+](C)C ZINC001017147473 1338896800 /nfs/dbraw/zinc/89/68/00/1338896800.db2.gz XTCHGMUALLQFNI-UXHICEINSA-N 2 0 349.563 3.243 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(C)cc2)C1)[NH+](C)C ZINC001017152230 1338902628 /nfs/dbraw/zinc/90/26/28/1338902628.db2.gz LUBWFFNXDJPNDJ-WOJBJXKFSA-N 2 0 345.531 3.006 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017159649 1338908009 /nfs/dbraw/zinc/90/80/09/1338908009.db2.gz CDVYZSLDBXXVIL-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCC1 ZINC001017265946 1338992330 /nfs/dbraw/zinc/99/23/30/1338992330.db2.gz HBXFDYYRVQFXFN-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018306057 1339570233 /nfs/dbraw/zinc/57/02/33/1339570233.db2.gz OONSNDQODJHHPU-FFZOFVMBSA-N 2 0 343.515 3.083 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018313836 1339572700 /nfs/dbraw/zinc/57/27/00/1339572700.db2.gz OJNLRROPONFRET-HAGHYFMRSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018838315 1339736349 /nfs/dbraw/zinc/73/63/49/1339736349.db2.gz XOHCURYXBHWSOE-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)c1ccccc1 ZINC001018850459 1339738438 /nfs/dbraw/zinc/73/84/38/1339738438.db2.gz UPJYEBVGLARJJK-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001028088678 1340418221 /nfs/dbraw/zinc/41/82/21/1340418221.db2.gz NQAIJSDGFHBACP-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093304 1340421766 /nfs/dbraw/zinc/42/17/66/1340421766.db2.gz JTUYOMBFGSVUMH-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCC2)CC1 ZINC001028234835 1340496533 /nfs/dbraw/zinc/49/65/33/1340496533.db2.gz IOSXBDNUTZDSMN-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001028636276 1340737868 /nfs/dbraw/zinc/73/78/68/1340737868.db2.gz NQYVLJMNJXSFPZ-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028647682 1340741894 /nfs/dbraw/zinc/74/18/94/1340741894.db2.gz LQKWGINKPDPOHB-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101756 1340930320 /nfs/dbraw/zinc/93/03/20/1340930320.db2.gz MAKZJRQUVBVTNC-MBOZVWFJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001029115468 1340933659 /nfs/dbraw/zinc/93/36/59/1340933659.db2.gz DNYXKWUKEDGHQV-QGZVFWFLSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001029125132 1340936015 /nfs/dbraw/zinc/93/60/15/1340936015.db2.gz RWHQQFNUPORZEM-ADKAHSJRSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)[NH+]1CCCC1 ZINC001029418865 1340986174 /nfs/dbraw/zinc/98/61/74/1340986174.db2.gz BAMVQKMGWUWKEW-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029738757 1341059407 /nfs/dbraw/zinc/05/94/07/1341059407.db2.gz DCTPMXXEPVZCAX-PMACEKPBSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029755013 1341064246 /nfs/dbraw/zinc/06/42/46/1341064246.db2.gz HHWATEPXMCRPBJ-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001029819628 1341085482 /nfs/dbraw/zinc/08/54/82/1341085482.db2.gz OKMYJBIOUSGOHS-SXLOBPIMSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029969705 1341138656 /nfs/dbraw/zinc/13/86/56/1341138656.db2.gz RIMWDJGYVWZPJN-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1)c1ccccc1 ZINC001030019538 1341159721 /nfs/dbraw/zinc/15/97/21/1341159721.db2.gz VPGNLSGURWGKED-IPMKNSEASA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031584895 1341371746 /nfs/dbraw/zinc/37/17/46/1341371746.db2.gz LLEWSETVKNXBLX-OXQOHEQNSA-N 2 0 343.515 3.013 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001032128380 1341460005 /nfs/dbraw/zinc/46/00/05/1341460005.db2.gz BVZRCORUIWUDRU-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032828611 1341628633 /nfs/dbraw/zinc/62/86/33/1341628633.db2.gz XUWBLSLQWMRYTQ-LSTHTHJFSA-N 2 0 343.515 3.156 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144670 1341738734 /nfs/dbraw/zinc/73/87/34/1341738734.db2.gz ACYLNSCIILJZMP-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033198726 1341750556 /nfs/dbraw/zinc/75/05/56/1341750556.db2.gz MZFHSWRIHQJCLQ-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033353040 1341793160 /nfs/dbraw/zinc/79/31/60/1341793160.db2.gz CYXKXDDHFOCJGJ-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033359684 1341795948 /nfs/dbraw/zinc/79/59/48/1341795948.db2.gz AOSLWYQZKADVME-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033392995 1341810505 /nfs/dbraw/zinc/81/05/05/1341810505.db2.gz CUFCJQWZSLFNTP-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001033420286 1341821809 /nfs/dbraw/zinc/82/18/09/1341821809.db2.gz NTKNUNKTSYXGJM-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033511309 1341853287 /nfs/dbraw/zinc/85/32/87/1341853287.db2.gz ZSCYHMGNUZANNY-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033593118 1341888488 /nfs/dbraw/zinc/88/84/88/1341888488.db2.gz GDQSXMPWSLMDKF-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033878627 1342056318 /nfs/dbraw/zinc/05/63/18/1342056318.db2.gz MNXLHBICMTWADA-SFHVURJKSA-N 2 0 340.471 3.145 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033896511 1342068842 /nfs/dbraw/zinc/06/88/42/1342068842.db2.gz DRQVTFWIQGVEFH-SFHVURJKSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459136 1356392849 /nfs/dbraw/zinc/39/28/49/1356392849.db2.gz ZSSFLCIOBBCXEQ-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](F)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046217 1342186283 /nfs/dbraw/zinc/18/62/83/1342186283.db2.gz QSZLEABBPQUBFC-RBUKOAKNSA-N 2 0 349.494 3.033 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034132251 1342261611 /nfs/dbraw/zinc/26/16/11/1342261611.db2.gz QJJAINGXSYIOFF-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001034215377 1342322876 /nfs/dbraw/zinc/32/28/76/1342322876.db2.gz YTPIELZEDPWPQR-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034240132 1342341891 /nfs/dbraw/zinc/34/18/91/1342341891.db2.gz POMDEUUMYPRUKH-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258291 1342351291 /nfs/dbraw/zinc/35/12/91/1342351291.db2.gz UUUBGAVMXXGHFF-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034272089 1342362580 /nfs/dbraw/zinc/36/25/80/1342362580.db2.gz RFFNSTAYJKCQDM-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCCC[N@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001034284704 1342373137 /nfs/dbraw/zinc/37/31/37/1342373137.db2.gz MOUSUNVIKCVELQ-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034397776 1342464628 /nfs/dbraw/zinc/46/46/28/1342464628.db2.gz LKVKWJGZCITJKC-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034397202 1342464776 /nfs/dbraw/zinc/46/47/76/1342464776.db2.gz JIQLAHFIHNXRHN-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034432907 1342495021 /nfs/dbraw/zinc/49/50/21/1342495021.db2.gz AASRUUFAYVBDNC-OALUTQOASA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034537492 1342595191 /nfs/dbraw/zinc/59/51/91/1342595191.db2.gz CFLINYOBHRXZPB-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034715495 1342710551 /nfs/dbraw/zinc/71/05/51/1342710551.db2.gz MMBABIPWICXBTH-LNLFQRSKSA-N 2 0 335.536 3.211 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034736655 1342729198 /nfs/dbraw/zinc/72/91/98/1342729198.db2.gz ZOBSCQGKUDYGLI-IHPCNDPISA-N 2 0 349.563 3.458 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCC3)CC2)C1 ZINC001034736661 1342729336 /nfs/dbraw/zinc/72/93/36/1342729336.db2.gz ZQWCMJJPJXHKET-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034796555 1342763058 /nfs/dbraw/zinc/76/30/58/1342763058.db2.gz ITIUFGNKSXSOSJ-HNBVOPMISA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)[NH+]1CCCCC1 ZINC001034937337 1342843506 /nfs/dbraw/zinc/84/35/06/1342843506.db2.gz NALXRWNMGCJRDQ-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001034965553 1342855234 /nfs/dbraw/zinc/85/52/34/1342855234.db2.gz JYFPERIYPCNLOD-IPELMVKDSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034980414 1342863170 /nfs/dbraw/zinc/86/31/70/1342863170.db2.gz VJUCVSRFRQHSNJ-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001035022386 1342881287 /nfs/dbraw/zinc/88/12/87/1342881287.db2.gz CHCGRXBNKJBJCD-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001035071605 1342911678 /nfs/dbraw/zinc/91/16/78/1342911678.db2.gz ZJVXFRANRGFZFI-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCC3CCCC3)C2)CC1)[NH+](C)C ZINC001035229591 1343050222 /nfs/dbraw/zinc/05/02/22/1343050222.db2.gz SUTMQVDWQFGFLE-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035257923 1343084667 /nfs/dbraw/zinc/08/46/67/1343084667.db2.gz AYIPDVQWMLYJTB-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035858188 1343234471 /nfs/dbraw/zinc/23/44/71/1343234471.db2.gz PWZMYDQGUKIHJO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036204411 1343362561 /nfs/dbraw/zinc/36/25/61/1343362561.db2.gz SACPKEDFPZBAAA-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001036577286 1343562468 /nfs/dbraw/zinc/56/24/68/1343562468.db2.gz FSERCSDUHIVBJV-YLJYHZDGSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001036597330 1343569513 /nfs/dbraw/zinc/56/95/13/1343569513.db2.gz DWJGZOSJQCQBJF-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717091 1343649446 /nfs/dbraw/zinc/64/94/46/1343649446.db2.gz PRRIFKYQVLGTJZ-MOPGFXCFSA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902517 1343848926 /nfs/dbraw/zinc/84/89/26/1343848926.db2.gz LQPYYWZIZHHPMJ-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP O=C(N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001037045572 1343946923 /nfs/dbraw/zinc/94/69/23/1343946923.db2.gz WQEGQYUPSYLZDY-LPHOPBHVSA-N 2 0 340.471 3.013 20 0 EGADRP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)c1ccn2c[nH+]cc2c1 ZINC001037205189 1344040911 /nfs/dbraw/zinc/04/09/11/1344040911.db2.gz YIKDVTUDLTXYSA-MJGOQNOKSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037237152 1344059977 /nfs/dbraw/zinc/05/99/77/1344059977.db2.gz USWJCXMJWVLABE-MOPGFXCFSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC(C)C ZINC001037853376 1344139523 /nfs/dbraw/zinc/13/95/23/1344139523.db2.gz IJOQQBFSVWDHAI-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1[NH2+]CC(C)C ZINC001037982034 1344219137 /nfs/dbraw/zinc/21/91/37/1344219137.db2.gz INDCIRQUEUQBSW-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1CCCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038407768 1344414604 /nfs/dbraw/zinc/41/46/04/1344414604.db2.gz ZLOVRAIONMEREO-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCC1CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038461009 1344433793 /nfs/dbraw/zinc/43/37/93/1344433793.db2.gz BNVFJJLIRDQVMR-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038461011 1344434530 /nfs/dbraw/zinc/43/45/30/1344434530.db2.gz BNVFJJLIRDQVMR-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038621657 1344508147 /nfs/dbraw/zinc/50/81/47/1344508147.db2.gz GHOBFTMPYXNUIF-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001038629585 1344511833 /nfs/dbraw/zinc/51/18/33/1344511833.db2.gz IMACFUGHIQYIGK-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038908382 1344646069 /nfs/dbraw/zinc/64/60/69/1344646069.db2.gz JGGYUWWHASZJAD-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001039046658 1344733120 /nfs/dbraw/zinc/73/31/20/1344733120.db2.gz AKLBMDQHWCFCCB-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](CC)C2)CC1 ZINC001039185729 1344885314 /nfs/dbraw/zinc/88/53/14/1344885314.db2.gz WDXLQKYUGIVAFW-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039313904 1345009585 /nfs/dbraw/zinc/00/95/85/1345009585.db2.gz WRVSGMUWVCTRFK-RAFMOHDBSA-N 2 0 349.563 3.265 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039387163 1345039392 /nfs/dbraw/zinc/03/93/92/1345039392.db2.gz VVRVIQUZJRWCEX-HSALFYBXSA-N 2 0 347.547 3.259 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349129 1345447337 /nfs/dbraw/zinc/44/73/37/1345447337.db2.gz VGUALUWYJUXYHY-TZIWHRDSSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001040726601 1345571513 /nfs/dbraw/zinc/57/15/13/1345571513.db2.gz LXCJVHXXXAYUQE-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275527 1345691948 /nfs/dbraw/zinc/69/19/48/1345691948.db2.gz DYNWEHCRHJUSHV-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001041644494 1345808743 /nfs/dbraw/zinc/80/87/43/1345808743.db2.gz DUJQUIYWAKWSCW-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722865 1345832477 /nfs/dbraw/zinc/83/24/77/1345832477.db2.gz BSNBRJVVBYEAKD-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125638 1345950853 /nfs/dbraw/zinc/95/08/53/1345950853.db2.gz VZIBQXMBKAENOH-HKUYNNGSSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@H+](CCC(C)(C)C)[C@@H]3C2)CC1 ZINC001042257014 1346007822 /nfs/dbraw/zinc/00/78/22/1346007822.db2.gz CKKPCOYTKSBLTN-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CCC(C[NH+]2CC(N(C)C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001042722967 1346110438 /nfs/dbraw/zinc/11/04/38/1346110438.db2.gz DGAPNBZHOXCWLW-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CC2CCCCCC2)C1 ZINC001044182874 1346267902 /nfs/dbraw/zinc/26/79/02/1346267902.db2.gz LJGGEOPOUPWVPP-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044333586 1346300501 /nfs/dbraw/zinc/30/05/01/1346300501.db2.gz WXLFOCUWTPSJHU-ROUUACIJSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044627603 1346386475 /nfs/dbraw/zinc/38/64/75/1346386475.db2.gz ASYLIKZWJQAWHW-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C[C@H]2C)CC1 ZINC001044794324 1346429345 /nfs/dbraw/zinc/42/93/45/1346429345.db2.gz VMWYYUXEHGUTLP-QUCCMNQESA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825951 1346436258 /nfs/dbraw/zinc/43/62/58/1346436258.db2.gz XOYQWPVALCRFFR-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)cs1 ZINC001045034234 1346483667 /nfs/dbraw/zinc/48/36/67/1346483667.db2.gz KKHVRMOMXROUAT-ZWKOTPCHSA-N 2 0 349.544 3.010 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045076450 1346490618 /nfs/dbraw/zinc/49/06/18/1346490618.db2.gz TYMYGRZMGXFNPS-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC001045147010 1346504059 /nfs/dbraw/zinc/50/40/59/1346504059.db2.gz CVGGRRFQBBWHKC-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045200667 1346529299 /nfs/dbraw/zinc/52/92/99/1346529299.db2.gz LCSVEUPBTODCPM-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001045438107 1346594000 /nfs/dbraw/zinc/59/40/00/1346594000.db2.gz JNQZZQMWKDEGTA-IBGZPJMESA-N 2 0 343.515 3.030 20 0 EGADRP CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441665 1346594412 /nfs/dbraw/zinc/59/44/12/1346594412.db2.gz IQCAYDFWYGJCDG-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045646586 1346657803 /nfs/dbraw/zinc/65/78/03/1346657803.db2.gz JJSZLLAAMSEUMK-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2(C)CC[NH+](CC(C)C)CC2)o1 ZINC001045650855 1346659777 /nfs/dbraw/zinc/65/97/77/1346659777.db2.gz QMZIGXXJSWVDKW-UHFFFAOYSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001045842032 1346717541 /nfs/dbraw/zinc/71/75/41/1346717541.db2.gz SPLKTJZEELEKNJ-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921179 1346758881 /nfs/dbraw/zinc/75/88/81/1346758881.db2.gz HDUGPRZMTJRUDE-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045944781 1346780940 /nfs/dbraw/zinc/78/09/40/1346780940.db2.gz IFHQEUYUVAFEJE-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045975510 1346811801 /nfs/dbraw/zinc/81/18/01/1346811801.db2.gz CWOKMVZKFYPADP-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045982486 1346821641 /nfs/dbraw/zinc/82/16/41/1346821641.db2.gz AKELMTQPNIZBHQ-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001046315631 1346931349 /nfs/dbraw/zinc/93/13/49/1346931349.db2.gz KQEQDYMKMFIYOP-ICSRJNTNSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046316727 1346932137 /nfs/dbraw/zinc/93/21/37/1346932137.db2.gz QGZOMOVLKALRSR-CTNGQTDRSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001046316371 1346932237 /nfs/dbraw/zinc/93/22/37/1346932237.db2.gz PFILETUHEMVOKV-UYAOXDASSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046561445 1347017510 /nfs/dbraw/zinc/01/75/10/1347017510.db2.gz GURSDQPLFZLHGF-PZJWPPBQSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046562322 1347018107 /nfs/dbraw/zinc/01/81/07/1347018107.db2.gz MJFPXDJRSLLIKL-PZJWPPBQSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046561993 1347018293 /nfs/dbraw/zinc/01/82/93/1347018293.db2.gz LCENLLJFMKBVDT-CTNGQTDRSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739860 1347078064 /nfs/dbraw/zinc/07/80/64/1347078064.db2.gz XGNXHAINPFMIKI-FQEVSTJZSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C2CC[NH+](CC3CCC3)CC2)C1)[NH+](C)C ZINC001047243372 1347269148 /nfs/dbraw/zinc/26/91/48/1347269148.db2.gz KVBMQAFVPBNDGM-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001047247544 1347272927 /nfs/dbraw/zinc/27/29/27/1347272927.db2.gz KBUBCKZIVCODIU-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001047258386 1347281085 /nfs/dbraw/zinc/28/10/85/1347281085.db2.gz YQZCYBZBYXWZFF-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047971203 1347429243 /nfs/dbraw/zinc/42/92/43/1347429243.db2.gz CIEUWWRGFDJDNG-PKOBYXMFSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048480626 1347562370 /nfs/dbraw/zinc/56/23/70/1347562370.db2.gz VAPBMERMLJYHGZ-UYAOXDASSA-N 2 0 347.547 3.047 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001048537483 1347583437 /nfs/dbraw/zinc/58/34/37/1347583437.db2.gz CEYDPQVLGKLRGP-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048539266 1347583907 /nfs/dbraw/zinc/58/39/07/1347583907.db2.gz MMTXQMBQUDOBTG-IYWMVGAKSA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC)o1 ZINC001048592272 1347610647 /nfs/dbraw/zinc/61/06/47/1347610647.db2.gz UCDNTJQZSXBPDB-BJWYYQGGSA-N 2 0 347.503 3.114 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001229232305 1375791089 /nfs/dbraw/zinc/79/10/89/1375791089.db2.gz ZNJACTJARAQGKD-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097792 1347724662 /nfs/dbraw/zinc/72/46/62/1347724662.db2.gz TYVPQVRXFLRXQY-ZCNNSNEGSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1=CCCCC1 ZINC001049370510 1347808514 /nfs/dbraw/zinc/80/85/14/1347808514.db2.gz VYBQTEZKAXDCHY-SLFFLAALSA-N 2 0 345.531 3.036 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049462688 1347860916 /nfs/dbraw/zinc/86/09/16/1347860916.db2.gz ABKDJLVQFTTYHU-AQNXPRMDSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514390 1347886424 /nfs/dbraw/zinc/88/64/24/1347886424.db2.gz DLOTWSJPTDNALO-SLFFLAALSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568432 1347914595 /nfs/dbraw/zinc/91/45/95/1347914595.db2.gz UETPNMPZMWHQGV-QZTJIDSGSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672387 1347966443 /nfs/dbraw/zinc/96/64/43/1347966443.db2.gz SJJVMXAGYONRMI-FFGOWVMKSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049725174 1347991017 /nfs/dbraw/zinc/99/10/17/1347991017.db2.gz VRAMZOGZPXIVNN-MISYRCLQSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049726667 1347991651 /nfs/dbraw/zinc/99/16/51/1347991651.db2.gz GGXPOPZCZZXZJC-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913966 1348108799 /nfs/dbraw/zinc/10/87/99/1348108799.db2.gz KZBYKAQOTQKJKK-AQNXPRMDSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001050252428 1348218912 /nfs/dbraw/zinc/21/89/12/1348218912.db2.gz KDBXNGCEOZTNSX-PMACEKPBSA-N 2 0 343.515 3.160 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050325978 1348228204 /nfs/dbraw/zinc/22/82/04/1348228204.db2.gz PVVADKXSPQPGHD-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001050357102 1348236711 /nfs/dbraw/zinc/23/67/11/1348236711.db2.gz KWYNMAHSTLEQMO-ZHALLVOQSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)cc1 ZINC001050377149 1348243133 /nfs/dbraw/zinc/24/31/33/1348243133.db2.gz ZQZFQROSAZXION-IRJFHVNHSA-N 2 0 343.515 3.036 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)CC1 ZINC001050391913 1348248946 /nfs/dbraw/zinc/24/89/46/1348248946.db2.gz FIGHWBYFIVOWBV-MXVIHJGJSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050543873 1348286960 /nfs/dbraw/zinc/28/69/60/1348286960.db2.gz MSYUUFCLUIMSQH-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050687074 1348327557 /nfs/dbraw/zinc/32/75/57/1348327557.db2.gz GAFDIGMHGFQDEG-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447472 1348543486 /nfs/dbraw/zinc/54/34/86/1348543486.db2.gz FLHZYQMMFDAYRP-QUCCMNQESA-N 2 0 347.547 3.330 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052499154 1348559654 /nfs/dbraw/zinc/55/96/54/1348559654.db2.gz OTAHAYHHFZJCRW-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001052529331 1348567205 /nfs/dbraw/zinc/56/72/05/1348567205.db2.gz PWLMJTSKUSCNQZ-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651889 1348614251 /nfs/dbraw/zinc/61/42/51/1348614251.db2.gz OLKHNGVFDVJNIG-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052717075 1348646512 /nfs/dbraw/zinc/64/65/12/1348646512.db2.gz SJJFZARBRPQWTB-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857668 1348704377 /nfs/dbraw/zinc/70/43/77/1348704377.db2.gz REHHDKZWOLMUQU-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1 ZINC001052859460 1348705168 /nfs/dbraw/zinc/70/51/68/1348705168.db2.gz MDMOIZZVPWLNII-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958352 1348772080 /nfs/dbraw/zinc/77/20/80/1348772080.db2.gz MAAJJQFZFWHNRW-LJQANCHMSA-N 2 0 343.515 3.299 20 0 EGADRP CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052985959 1348789268 /nfs/dbraw/zinc/78/92/68/1348789268.db2.gz BKFDNRWDLLLORZ-YSIASYRMSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142496 1349152881 /nfs/dbraw/zinc/15/28/81/1349152881.db2.gz CZDZEJALNWVKAX-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174427 1349175434 /nfs/dbraw/zinc/17/54/34/1349175434.db2.gz OZHGRJCAECQDST-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054195721 1349198889 /nfs/dbraw/zinc/19/88/89/1349198889.db2.gz BUQYOTICGXXLHA-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001054198776 1349200130 /nfs/dbraw/zinc/20/01/30/1349200130.db2.gz GUUZMNSWXUVLEZ-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223274 1349218497 /nfs/dbraw/zinc/21/84/97/1349218497.db2.gz RVXBOZIICSTPQJ-NRFANRHFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267391 1349264460 /nfs/dbraw/zinc/26/44/60/1349264460.db2.gz RJVNRFGKPZQHDS-FQEVSTJZSA-N 2 0 343.515 3.293 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054292543 1349297854 /nfs/dbraw/zinc/29/78/54/1349297854.db2.gz KWNQUWBDKIOFNB-HXUWFJFHSA-N 2 0 343.515 3.149 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc3c(c2)C[NH+](CCC(C)(C)C)C3)C1 ZINC001054292236 1349298727 /nfs/dbraw/zinc/29/87/27/1349298727.db2.gz WIVRKDUBIGHRQJ-SFHVURJKSA-N 2 0 343.515 3.006 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001054296217 1349301210 /nfs/dbraw/zinc/30/12/10/1349301210.db2.gz JDCALBZVLJIVII-AQNXPRMDSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1)[NH+](C)C ZINC001054296495 1349301557 /nfs/dbraw/zinc/30/15/57/1349301557.db2.gz VPGNLSGURWGKED-CEXWTWQISA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001054659366 1349430947 /nfs/dbraw/zinc/43/09/47/1349430947.db2.gz PVDUXENKWYFYFX-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054823358 1349479407 /nfs/dbraw/zinc/47/94/07/1349479407.db2.gz LHANSDPMYPMBFJ-APWZRJJASA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2C)C1 ZINC001080310787 1357569208 /nfs/dbraw/zinc/56/92/08/1357569208.db2.gz FAUSNAYLPBOCOH-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCC(C)(C)C ZINC001071646159 1354824362 /nfs/dbraw/zinc/82/43/62/1354824362.db2.gz SNLDPTRBDFBCED-DLBZAZTESA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165166 1387270809 /nfs/dbraw/zinc/27/08/09/1387270809.db2.gz QDQWRPKNECDTRP-VWICVCDTSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1=CCCCC1 ZINC001071821288 1354960862 /nfs/dbraw/zinc/96/08/62/1354960862.db2.gz MEOLKTLSNGOGFY-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895971 1355011221 /nfs/dbraw/zinc/01/12/21/1355011221.db2.gz CRVUZEARPDSFCR-PXNSSMCTSA-N 2 0 343.515 3.297 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CC1CCCCCC1 ZINC001071996260 1355065687 /nfs/dbraw/zinc/06/56/87/1355065687.db2.gz PRHKOZXPQVLDEL-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CC3)C2)o1 ZINC001072109577 1355137000 /nfs/dbraw/zinc/13/70/00/1355137000.db2.gz JHSLWRDJRPABJQ-RDJZCZTQSA-N 2 0 347.503 3.114 20 0 EGADRP C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001072309249 1355231724 /nfs/dbraw/zinc/23/17/24/1355231724.db2.gz GBLFLHZVJFEXPP-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072734378 1355416944 /nfs/dbraw/zinc/41/69/44/1355416944.db2.gz GGQIJHXIDQXGKW-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)C2 ZINC001073116346 1355605572 /nfs/dbraw/zinc/60/55/72/1355605572.db2.gz LYLVQRDJPPMBPN-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@]1(C)C[NH2+]CC1=CCCCC1 ZINC001183201057 1387277370 /nfs/dbraw/zinc/27/73/70/1387277370.db2.gz YQQDKVZPNPLODP-WIYYLYMNSA-N 2 0 349.563 3.293 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460666 1355794472 /nfs/dbraw/zinc/79/44/72/1355794472.db2.gz GXZAXPYCUNVIOJ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C)c1 ZINC001075108699 1356309319 /nfs/dbraw/zinc/30/93/19/1356309319.db2.gz DLMONTROAGVZFZ-HBFSDRIKSA-N 2 0 343.515 3.039 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 ZINC001075451414 1356385956 /nfs/dbraw/zinc/38/59/56/1356385956.db2.gz SWDPQKHOWSJIOQ-KRWDZBQOSA-N 2 0 346.519 3.093 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461539 1356394903 /nfs/dbraw/zinc/39/49/03/1356394903.db2.gz KQCANQJXTVCDGQ-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099315121 1363745662 /nfs/dbraw/zinc/74/56/62/1363745662.db2.gz BBFUMDORQNUYDN-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CCC1CCCCC1 ZINC001183399454 1387306643 /nfs/dbraw/zinc/30/66/43/1387306643.db2.gz WHLMWEJOBRZNDD-WIYYLYMNSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082558341 1358057179 /nfs/dbraw/zinc/05/71/79/1358057179.db2.gz LGVQKHJKALXOJC-MISYRCLQSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082705427 1358078471 /nfs/dbraw/zinc/07/84/71/1358078471.db2.gz BZEMNQPYXXAEAL-LCLWPZTBSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001082782387 1358092513 /nfs/dbraw/zinc/09/25/13/1358092513.db2.gz UTRXSMQEGKJIAQ-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001082944383 1358106836 /nfs/dbraw/zinc/10/68/36/1358106836.db2.gz RXJGJRSFAOKKEU-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016770 1358367568 /nfs/dbraw/zinc/36/75/68/1358367568.db2.gz LSIJHKVFSFCZJX-RNQOJCNYSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCC(C)(C)C)[C@H]3C2)CC[N@@H+]1C ZINC001085016856 1358367846 /nfs/dbraw/zinc/36/78/46/1358367846.db2.gz RKHOZIIVCOOVQJ-RDGPPVDQSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001085152730 1358413927 /nfs/dbraw/zinc/41/39/27/1358413927.db2.gz PANLNNYPHDXDFB-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085255088 1358445189 /nfs/dbraw/zinc/44/51/89/1358445189.db2.gz MYFIAJJZPHUGTE-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085307037 1358461709 /nfs/dbraw/zinc/46/17/09/1358461709.db2.gz COLNXAVITTZRLD-AQNXPRMDSA-N 2 0 347.547 3.211 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)C1 ZINC001085394216 1358487683 /nfs/dbraw/zinc/48/76/83/1358487683.db2.gz ZZXKWDJBAHAVSA-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085594068 1358619820 /nfs/dbraw/zinc/61/98/20/1358619820.db2.gz YDJCUSBTDIUIMZ-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856169 1358824470 /nfs/dbraw/zinc/82/44/70/1358824470.db2.gz SRTDQHOFSCWSLW-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001183844925 1387357419 /nfs/dbraw/zinc/35/74/19/1387357419.db2.gz KSJLFDJZBXCNRS-FUTAKVPZSA-N 2 0 340.471 3.193 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875936 1358840406 /nfs/dbraw/zinc/84/04/06/1358840406.db2.gz MTKQPRJJNGHUGE-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)C ZINC001085919048 1358879337 /nfs/dbraw/zinc/87/93/37/1358879337.db2.gz RHVZLIKMABBMCC-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)c1ccccc1C[NH+](C)C ZINC001085987068 1358938846 /nfs/dbraw/zinc/93/88/46/1358938846.db2.gz SYSNGXINZOROHU-LJQANCHMSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086098542 1358996806 /nfs/dbraw/zinc/99/68/06/1358996806.db2.gz KRDOPRBXPUVPOC-WOVMCDHWSA-N 2 0 349.544 3.098 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086133901 1359005442 /nfs/dbraw/zinc/00/54/42/1359005442.db2.gz JPWCVZWCSMDZIG-UHOSZYNNSA-N 2 0 349.563 3.027 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086253658 1359043142 /nfs/dbraw/zinc/04/31/42/1359043142.db2.gz PPQIKAGLMOWDGI-VNTMZGSJSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086253732 1359043272 /nfs/dbraw/zinc/04/32/72/1359043272.db2.gz SIRMINBPTABSSD-YSTOQKLRSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001086418117 1359091993 /nfs/dbraw/zinc/09/19/93/1359091993.db2.gz BCNYHHGGZBIZIQ-SAABIXHNSA-N 2 0 340.471 3.013 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086454344 1359101414 /nfs/dbraw/zinc/10/14/14/1359101414.db2.gz GDEKEFBEQMKAEW-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001086466446 1359108253 /nfs/dbraw/zinc/10/82/53/1359108253.db2.gz CWFBVXDTPNSNSA-UAPYVXQJSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086534158 1359134885 /nfs/dbraw/zinc/13/48/85/1359134885.db2.gz SIRMINBPTABSSD-MUGJNUQGSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086694481 1359187116 /nfs/dbraw/zinc/18/71/16/1359187116.db2.gz VAEHACAKSGDGHT-UHOSZYNNSA-N 2 0 349.563 3.170 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001086717427 1359191020 /nfs/dbraw/zinc/19/10/20/1359191020.db2.gz XHQBLMNPYYPFDB-NLWGTHIKSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086940891 1359262770 /nfs/dbraw/zinc/26/27/70/1359262770.db2.gz CTMOFRYJVFKRLC-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1CC ZINC001087593669 1359547593 /nfs/dbraw/zinc/54/75/93/1359547593.db2.gz QDTVZTQZHKYCRM-ZCNNSNEGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CCC1CC1 ZINC001087749232 1359625928 /nfs/dbraw/zinc/62/59/28/1359625928.db2.gz AIUBEXPYFSHKHK-OTWHNJEPSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CCC(C)C ZINC001087762706 1359632008 /nfs/dbraw/zinc/63/20/08/1359632008.db2.gz JAXBGAMAQQWNLH-VQTJNVASSA-N 2 0 345.531 3.377 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)C1CCC1 ZINC001088327433 1359831490 /nfs/dbraw/zinc/83/14/90/1359831490.db2.gz NDFWUIMEFNAXMV-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088382621 1359865183 /nfs/dbraw/zinc/86/51/83/1359865183.db2.gz GZRVBMJUOXASGB-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088381489 1359865500 /nfs/dbraw/zinc/86/55/00/1359865500.db2.gz FYSJEGABSXCKBH-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)[NH+]1CCCCCC1 ZINC001088394126 1359870381 /nfs/dbraw/zinc/87/03/81/1359870381.db2.gz XDSQEPCNCUORHG-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088413371 1359884096 /nfs/dbraw/zinc/88/40/96/1359884096.db2.gz DRUOIMOAQGJAEI-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088414175 1359884985 /nfs/dbraw/zinc/88/49/85/1359884985.db2.gz YYTMSXAZLNTIBK-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001088424805 1359893509 /nfs/dbraw/zinc/89/35/09/1359893509.db2.gz GKQWQDWIRUNCIO-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088425858 1359894598 /nfs/dbraw/zinc/89/45/98/1359894598.db2.gz FTILDJXYTUELFB-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001088433320 1359902263 /nfs/dbraw/zinc/90/22/63/1359902263.db2.gz SFKLNDLUBRBNLQ-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088562727 1359974662 /nfs/dbraw/zinc/97/46/62/1359974662.db2.gz KFNQCDCICPYDHJ-YZGWKJHDSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897717 1360096932 /nfs/dbraw/zinc/09/69/32/1360096932.db2.gz UQJUOPXGQRGKAF-GGPKGHCWSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088898612 1360097625 /nfs/dbraw/zinc/09/76/25/1360097625.db2.gz NGECYPPPDFXYFP-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088898613 1360097777 /nfs/dbraw/zinc/09/77/77/1360097777.db2.gz NGECYPPPDFXYFP-YZGWKJHDSA-N 2 0 349.563 3.409 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001089252788 1360284115 /nfs/dbraw/zinc/28/41/15/1360284115.db2.gz WJERFVBGLPHLHJ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407474 1360406154 /nfs/dbraw/zinc/40/61/54/1360406154.db2.gz ZYKNVVZEBWUQKB-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089407276 1360406181 /nfs/dbraw/zinc/40/61/81/1360406181.db2.gz XUHYUSMVPPZDPC-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416603 1360410751 /nfs/dbraw/zinc/41/07/51/1360410751.db2.gz NWSWUJILOYDCFP-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416602 1360411026 /nfs/dbraw/zinc/41/10/26/1360411026.db2.gz NWSWUJILOYDCFP-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421023 1360415168 /nfs/dbraw/zinc/41/51/68/1360415168.db2.gz QETYJHWNWMNWEC-ROUUACIJSA-N 2 0 335.536 3.044 20 0 EGADRP CC1(C)C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+](CC2CCC2)C1 ZINC001089429585 1360421072 /nfs/dbraw/zinc/42/10/72/1360421072.db2.gz CZMNWVYRKVUSNV-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493626 1360470541 /nfs/dbraw/zinc/47/05/41/1360470541.db2.gz YLVYDTGUVWTDTP-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089528020 1360491820 /nfs/dbraw/zinc/49/18/20/1360491820.db2.gz ZFKWNSYCEJTDET-LJQANCHMSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533899 1360493781 /nfs/dbraw/zinc/49/37/81/1360493781.db2.gz LCFDNGMTKNQGPE-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)CC1 ZINC001089534679 1360494759 /nfs/dbraw/zinc/49/47/59/1360494759.db2.gz UQGLDNISXJTNKZ-SFHVURJKSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638418 1360552286 /nfs/dbraw/zinc/55/22/86/1360552286.db2.gz BQYWOXBECFICDQ-ZWKOTPCHSA-N 2 0 337.552 3.122 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[N@H+](CCC2CC2)C1 ZINC001089665322 1360576133 /nfs/dbraw/zinc/57/61/33/1360576133.db2.gz VQGCKKDFAKRLMB-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089684184 1360589246 /nfs/dbraw/zinc/58/92/46/1360589246.db2.gz NINKUNUGZFBJTI-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184655215 1387505145 /nfs/dbraw/zinc/50/51/45/1387505145.db2.gz YIGLKBIQLGVHFF-MOPGFXCFSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC001323991985 1387505222 /nfs/dbraw/zinc/50/52/22/1387505222.db2.gz URARPPTWJTXGMX-VDGAXYAQSA-N 2 0 333.520 3.150 20 0 EGADRP CN(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC001323991730 1387505508 /nfs/dbraw/zinc/50/55/08/1387505508.db2.gz SDICQYSILUJFNR-PKOBYXMFSA-N 2 0 337.458 3.396 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676612 1361439825 /nfs/dbraw/zinc/43/98/25/1361439825.db2.gz GBEUZERKHKDTFW-GGPKGHCWSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736785 1361450557 /nfs/dbraw/zinc/45/05/57/1361450557.db2.gz YJAOJJVJGBOTCU-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782652 1361453536 /nfs/dbraw/zinc/45/35/36/1361453536.db2.gz UOXMIQHDFZPNOV-NVXWUHKLSA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001093025162 1361510705 /nfs/dbraw/zinc/51/07/05/1361510705.db2.gz TTZQKMCHENDROW-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184711896 1387517094 /nfs/dbraw/zinc/51/70/94/1387517094.db2.gz HVMWADUPVNLQGB-SJLPKXTDSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094414080 1361790770 /nfs/dbraw/zinc/79/07/70/1361790770.db2.gz SDJXCIPZCMJGER-SFHLNBCPSA-N 2 0 347.547 3.186 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434235 1361800402 /nfs/dbraw/zinc/80/04/02/1361800402.db2.gz YQRVROGHAMKRSX-SFHLNBCPSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458284 1361809772 /nfs/dbraw/zinc/80/97/72/1361809772.db2.gz MOPCYTLIVOIZFG-NLWGTHIKSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)[C@H](C)C2)c(C)n1 ZINC001184852845 1387549634 /nfs/dbraw/zinc/54/96/34/1387549634.db2.gz XFPVSYVVSJZBNX-BEFAXECRSA-N 2 0 343.515 3.495 20 0 EGADRP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C[NH2+]CC1CC1 ZINC001184891257 1387556135 /nfs/dbraw/zinc/55/61/35/1387556135.db2.gz CRBLDCKDTUFWSH-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001096105327 1362385057 /nfs/dbraw/zinc/38/50/57/1362385057.db2.gz YOLGYICBCWXNIR-FYQPLNBISA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097076839 1362834896 /nfs/dbraw/zinc/83/48/96/1362834896.db2.gz TUWCUYJGUDFRHX-KURKYZTESA-N 2 0 335.536 3.019 20 0 EGADRP C[C@H](C(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1)[NH+]1CCCCCC1 ZINC001324336390 1387597268 /nfs/dbraw/zinc/59/72/68/1387597268.db2.gz YQDDRGRMICNYOX-JLAWEPINSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185071929 1387609432 /nfs/dbraw/zinc/60/94/32/1387609432.db2.gz BXYNSGKDHYZJHS-GGVAOPBYSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCC2)C1 ZINC001097695313 1363103184 /nfs/dbraw/zinc/10/31/84/1363103184.db2.gz WLFMARLBRHRXSJ-NMLBUPMWSA-N 2 0 347.547 3.020 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)C1 ZINC001097860556 1363143442 /nfs/dbraw/zinc/14/34/42/1363143442.db2.gz NJHMPYUMPHOQJC-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C1CCCC1 ZINC001098812763 1363478136 /nfs/dbraw/zinc/47/81/36/1363478136.db2.gz DFYWZKVZXUFYGT-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[C@@H]([NH2+]CC2CC2)C2CCCC2)C1 ZINC001098821323 1363482149 /nfs/dbraw/zinc/48/21/49/1363482149.db2.gz ODJSTUXPANQBCV-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098822065 1363482738 /nfs/dbraw/zinc/48/27/38/1363482738.db2.gz WSERJIZANRSIRL-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098822064 1363482818 /nfs/dbraw/zinc/48/28/18/1363482818.db2.gz WSERJIZANRSIRL-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185170982 1387632446 /nfs/dbraw/zinc/63/24/46/1387632446.db2.gz SIOHPKDKRIMUAE-ROUUACIJSA-N 2 0 337.552 3.005 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCC1)C2 ZINC001099028414 1363583203 /nfs/dbraw/zinc/58/32/03/1363583203.db2.gz XOCMBEIGDHQOKX-LMNJBCLMSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106462 1363625490 /nfs/dbraw/zinc/62/54/90/1363625490.db2.gz GKROLWRWZVMJQR-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001099110937 1363629054 /nfs/dbraw/zinc/62/90/54/1363629054.db2.gz MIBUOMOSFFLPKQ-FAFZWHIHSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116474 1363632844 /nfs/dbraw/zinc/63/28/44/1363632844.db2.gz RHZVOZIMLRLSMB-MSOLQXFVSA-N 2 0 337.552 3.146 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099198677 1363688133 /nfs/dbraw/zinc/68/81/33/1363688133.db2.gz CVNRDQCFMBVZCD-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240558 1363709605 /nfs/dbraw/zinc/70/96/05/1363709605.db2.gz SJWWUYFHWVFFSB-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099276410 1363727633 /nfs/dbraw/zinc/72/76/33/1363727633.db2.gz SIAGKLLMAAFSSD-BBVFFXRHSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099276419 1363727851 /nfs/dbraw/zinc/72/78/51/1363727851.db2.gz SIOKYSLIXKDLLY-LJQANCHMSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C[C@@H](F)CC ZINC001099320971 1363748691 /nfs/dbraw/zinc/74/86/91/1363748691.db2.gz NIHOVTWLFSXCFN-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339993 1363760050 /nfs/dbraw/zinc/76/00/50/1363760050.db2.gz NHTFNFRFPGMOPA-LIXSYLKWSA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354573 1363769133 /nfs/dbraw/zinc/76/91/33/1363769133.db2.gz UYWHBMNQDALOCG-GOSISDBHSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100403328 1364103318 /nfs/dbraw/zinc/10/33/18/1364103318.db2.gz KFGKURPAIACLTI-IOJLRTSASA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405853 1364104098 /nfs/dbraw/zinc/10/40/98/1364104098.db2.gz PKLFSYNTOZVYJU-QLOJAFMTSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100419178 1364108607 /nfs/dbraw/zinc/10/86/07/1364108607.db2.gz OUDBGWDLGBHWIU-DAWZGUTISA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100460001 1364122355 /nfs/dbraw/zinc/12/23/55/1364122355.db2.gz KMMWSCNZOCSLOF-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2CC([NH2+]CCCC3CCC3)C2)CCCC1 ZINC001100538042 1364151379 /nfs/dbraw/zinc/15/13/79/1364151379.db2.gz AMGUCWGCGUFMJA-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)CCCC1 ZINC001100538213 1364151435 /nfs/dbraw/zinc/15/14/35/1364151435.db2.gz JSWPYHZHGOUIJY-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562669 1364163580 /nfs/dbraw/zinc/16/35/80/1364163580.db2.gz WQCMMOOBBLOECP-WWDZGPRUSA-N 2 0 337.552 3.027 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562525 1364163614 /nfs/dbraw/zinc/16/36/14/1364163614.db2.gz QAKOROHUBVIZNJ-VOTSOKGWSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001324544625 1387664559 /nfs/dbraw/zinc/66/45/59/1387664559.db2.gz HSPUBABGUZHWQQ-SXLOBPIMSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001100668610 1364210817 /nfs/dbraw/zinc/21/08/17/1364210817.db2.gz CSTXSZRHQKAZGD-MHJFOBGBSA-N 2 0 345.531 3.100 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001100669036 1364211348 /nfs/dbraw/zinc/21/13/48/1364211348.db2.gz LUUGPWMDCLJHPB-NKELODKYSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)CC1 ZINC001100732006 1364239254 /nfs/dbraw/zinc/23/92/54/1364239254.db2.gz PIBDZUXCBPYHRI-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001100765135 1364251639 /nfs/dbraw/zinc/25/16/39/1364251639.db2.gz UTXWZDYQGSONOH-UHFFFAOYSA-N 2 0 345.531 3.183 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)C(C)C ZINC001100766108 1364251908 /nfs/dbraw/zinc/25/19/08/1364251908.db2.gz QCRXPHKWWBASLX-DAWZGUTISA-N 2 0 339.568 3.273 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]C/C=C\Cl)C1 ZINC001100858472 1364295481 /nfs/dbraw/zinc/29/54/81/1364295481.db2.gz WIFCWTQIQUJDJI-VURMDHGXSA-N 2 0 343.943 3.126 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001100904776 1364324211 /nfs/dbraw/zinc/32/42/11/1364324211.db2.gz GEFQLNOLWIDREM-PPSBMQLTSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033514 1364382653 /nfs/dbraw/zinc/38/26/53/1364382653.db2.gz YRJIUNBRPVRSQZ-LMDPOFIKSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC)[C@@H](C)C1 ZINC001185316007 1387680401 /nfs/dbraw/zinc/68/04/01/1387680401.db2.gz BEDMDYJAHMWGIA-OALUTQOASA-N 2 0 339.568 3.373 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362981 1364528206 /nfs/dbraw/zinc/52/82/06/1364528206.db2.gz LUORZIBBWLHDBI-AFFHPAEBSA-N 2 0 349.563 3.243 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001101549610 1364612866 /nfs/dbraw/zinc/61/28/66/1364612866.db2.gz QVQFCMBVWJMHQT-SFHVURJKSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001101582165 1364634326 /nfs/dbraw/zinc/63/43/26/1364634326.db2.gz BMRLTBVMHQKIRR-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001101595289 1364645416 /nfs/dbraw/zinc/64/54/16/1364645416.db2.gz ADLPRYKDYFHOGX-AATRIKPKSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001101596360 1364647286 /nfs/dbraw/zinc/64/72/86/1364647286.db2.gz VHJFPMDUULCYQR-CALCHBBNSA-N 2 0 337.552 3.122 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001102045043 1364821550 /nfs/dbraw/zinc/82/15/50/1364821550.db2.gz PPWAABZXTWARJX-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104081 1364858826 /nfs/dbraw/zinc/85/88/26/1364858826.db2.gz FDYBXGUWYMVGJB-QAZIKRLUSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185410307 1387706963 /nfs/dbraw/zinc/70/69/63/1387706963.db2.gz BSQBMSKDPUKVPP-UYAOXDASSA-N 2 0 349.563 3.147 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102475279 1365076252 /nfs/dbraw/zinc/07/62/52/1365076252.db2.gz GZYNJMLNSNMNGC-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001324661725 1387722411 /nfs/dbraw/zinc/72/24/11/1387722411.db2.gz OWROZVAGXIXBDS-UYAOXDASSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001103086600 1365373816 /nfs/dbraw/zinc/37/38/16/1365373816.db2.gz KAICMBREWZCSNQ-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103722 1365382184 /nfs/dbraw/zinc/38/21/84/1365382184.db2.gz WDXBRHFKCZRLFE-SHOKJUJBSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C[NH2+]CCC(C)(C)C ZINC001185525641 1387739176 /nfs/dbraw/zinc/73/91/76/1387739176.db2.gz DILAGJSDMMJTHS-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268446 1365463890 /nfs/dbraw/zinc/46/38/90/1365463890.db2.gz XSGQRKUFRNCXEF-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308708 1365486168 /nfs/dbraw/zinc/48/61/68/1365486168.db2.gz DVKZPNLRMKDTPM-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103550255 1365629455 /nfs/dbraw/zinc/62/94/55/1365629455.db2.gz HHKUALYEUYNKIC-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185235 1365941364 /nfs/dbraw/zinc/94/13/64/1365941364.db2.gz AREMEMJVJAKSCZ-JCHUFIKGSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104291602 1365977563 /nfs/dbraw/zinc/97/75/63/1365977563.db2.gz PNMFYQXXEOGKGX-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185749204 1387789142 /nfs/dbraw/zinc/78/91/42/1387789142.db2.gz AUMUSWUIDHYIRJ-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104872652 1366205844 /nfs/dbraw/zinc/20/58/44/1366205844.db2.gz SGSZSHPROGOLLD-TYFAACHXSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001185770989 1387794323 /nfs/dbraw/zinc/79/43/23/1387794323.db2.gz IVKNZWSGHLYROW-DLBZAZTESA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395664 1366443949 /nfs/dbraw/zinc/44/39/49/1366443949.db2.gz CKSHDJJJNZAYOS-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536724 1366516344 /nfs/dbraw/zinc/51/63/44/1366516344.db2.gz IBSQTLFVUUZSCZ-RTBURBONSA-N 2 0 349.563 3.409 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)CCC1 ZINC001105578990 1366542479 /nfs/dbraw/zinc/54/24/79/1366542479.db2.gz IYPAFRVXIIRJDV-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106588210 1366746139 /nfs/dbraw/zinc/74/61/39/1366746139.db2.gz LNEUDRBWOCKZHQ-NVXWUHKLSA-N 2 0 349.519 3.075 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C)c1ccccc1 ZINC001106839365 1366813340 /nfs/dbraw/zinc/81/33/40/1366813340.db2.gz DPEZCABMZDLOQZ-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107030838 1366861204 /nfs/dbraw/zinc/86/12/04/1366861204.db2.gz YTABVRQLUHTOKE-BGEOSOQGSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001107030475 1366861224 /nfs/dbraw/zinc/86/12/24/1366861224.db2.gz ICGKCQNUXSFAMK-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001107042505 1366863582 /nfs/dbraw/zinc/86/35/82/1366863582.db2.gz PHQLFXPZAPKKPT-WSTZPKSXSA-N 2 0 345.531 3.080 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442907 1366965119 /nfs/dbraw/zinc/96/51/19/1366965119.db2.gz QUTOZBFZCHKISH-QKNQBKEWSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444615 1366965544 /nfs/dbraw/zinc/96/55/44/1366965544.db2.gz RQKVTZHMNYXBGG-QLUPPNIVSA-N 2 0 349.563 3.290 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451639 1366968658 /nfs/dbraw/zinc/96/86/58/1366968658.db2.gz ZOYWNQBURGMSDC-SBMPZUJASA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521032 1367015650 /nfs/dbraw/zinc/01/56/50/1367015650.db2.gz IJULZMJJYZDYLZ-WYTZPYIFSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567376 1367049076 /nfs/dbraw/zinc/04/90/76/1367049076.db2.gz UCFRDMBVUIFMIK-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001107618010 1367076232 /nfs/dbraw/zinc/07/62/32/1367076232.db2.gz ZGIJUCHLDCLGDD-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107634993 1367085775 /nfs/dbraw/zinc/08/57/75/1367085775.db2.gz BMWYILJBSYEWJK-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1)C1CCC1 ZINC001109410798 1367109182 /nfs/dbraw/zinc/10/91/82/1367109182.db2.gz WHWMYFSCDJQRCU-AABGKKOBSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001109417459 1367112111 /nfs/dbraw/zinc/11/21/11/1367112111.db2.gz CNCOSLSWSKPLKI-ZRNYENFQSA-N 2 0 345.531 3.083 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001109447430 1367127024 /nfs/dbraw/zinc/12/70/24/1367127024.db2.gz LPLLLHYPUWQJLG-WCIQWLHISA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190483250 1367274654 /nfs/dbraw/zinc/27/46/54/1367274654.db2.gz QJLAWODXNZAGCI-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190652762 1367317521 /nfs/dbraw/zinc/31/75/21/1367317521.db2.gz AJOAOSDWWKPIAL-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654801 1367319084 /nfs/dbraw/zinc/31/90/84/1367319084.db2.gz LOELZFSLAPKVEW-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743218 1367341377 /nfs/dbraw/zinc/34/13/77/1367341377.db2.gz IPAGLQUKLACJBK-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890571 1367376446 /nfs/dbraw/zinc/37/64/46/1367376446.db2.gz SPKRMDUUMDZKIL-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001109932869 1367410673 /nfs/dbraw/zinc/41/06/73/1367410673.db2.gz WSWVGEHBJOBLRP-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001191257020 1367460602 /nfs/dbraw/zinc/46/06/02/1367460602.db2.gz HWXAVCKPXPLNDC-UYAOXDASSA-N 2 0 345.531 3.400 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351784 1367481951 /nfs/dbraw/zinc/48/19/51/1367481951.db2.gz LTEZHKZVVPWUGC-SFHVURJKSA-N 2 0 328.460 3.061 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108688337 1367533923 /nfs/dbraw/zinc/53/39/23/1367533923.db2.gz YQYBOWATZKEEME-KSZLIROESA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001108713869 1367551557 /nfs/dbraw/zinc/55/15/57/1367551557.db2.gz BNVUNUGLKICJBA-LNLFQRSKSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188988 1367556110 /nfs/dbraw/zinc/55/61/10/1367556110.db2.gz YXGMNTJKWAXJNK-RDGPPVDQSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108804026 1367606105 /nfs/dbraw/zinc/60/61/05/1367606105.db2.gz JBAGBERUWXLRFN-TYTUHHLSSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828160 1367623063 /nfs/dbraw/zinc/62/30/63/1367623063.db2.gz GWCHFFOGNADAEO-UFYCRDLUSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1)[NH+](CC)CC ZINC001192325066 1367752358 /nfs/dbraw/zinc/75/23/58/1367752358.db2.gz JRPGDJNOLWNUNU-VQTJNVASSA-N 2 0 345.531 3.148 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192327022 1367754063 /nfs/dbraw/zinc/75/40/63/1367754063.db2.gz WBXFOBZBPZGGOY-ZWKOTPCHSA-N 2 0 325.541 3.220 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110544827 1367821886 /nfs/dbraw/zinc/82/18/86/1367821886.db2.gz HGKBEZSLIUBUOL-RPCZBFAQSA-N 2 0 347.547 3.327 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917441 1367904347 /nfs/dbraw/zinc/90/43/47/1367904347.db2.gz OMCKESZEWOYRRN-RTBURBONSA-N 2 0 339.568 3.466 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)C(C)C ZINC001192918191 1367905043 /nfs/dbraw/zinc/90/50/43/1367905043.db2.gz YGFKSCRZVCQILG-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947078 1367908762 /nfs/dbraw/zinc/90/87/62/1367908762.db2.gz HLEVZGSYRBFWBO-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684519 1367926243 /nfs/dbraw/zinc/92/62/43/1367926243.db2.gz NGAXGUWBEPPGHJ-UXKFTAHHSA-N 2 0 347.547 3.329 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)CCCC(C)(C)C)C2)CC1 ZINC001193026550 1367926798 /nfs/dbraw/zinc/92/67/98/1367926798.db2.gz LASQYVYVNHSINJ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001193423694 1368025973 /nfs/dbraw/zinc/02/59/73/1368025973.db2.gz DEXKFINYLMPPTE-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558963 1368061503 /nfs/dbraw/zinc/06/15/03/1368061503.db2.gz FVWLLIXCRXLSJD-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001193609414 1368073162 /nfs/dbraw/zinc/07/31/62/1368073162.db2.gz AEJMJZUMRTVWKZ-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098645 1368157869 /nfs/dbraw/zinc/15/78/69/1368157869.db2.gz JDLFKNLBJRRMIZ-XWHCPSPJSA-N 2 0 347.547 3.327 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099441 1368158407 /nfs/dbraw/zinc/15/84/07/1368158407.db2.gz HEJRUIMBZWYDPJ-QFTWQFLFSA-N 2 0 347.547 3.186 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001111125805 1368161458 /nfs/dbraw/zinc/16/14/58/1368161458.db2.gz NDSLUUWPVIJMBK-RWSQOZJESA-N 2 0 344.503 3.056 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001111160395 1368169989 /nfs/dbraw/zinc/16/99/89/1368169989.db2.gz VNMHATKIUQGJJW-QRVBRYPASA-N 2 0 335.536 3.186 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164280 1368174426 /nfs/dbraw/zinc/17/44/26/1368174426.db2.gz RDDVVULRSWWCEH-INNIWQNCSA-N 2 0 349.563 3.431 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081927 1368179988 /nfs/dbraw/zinc/17/99/88/1368179988.db2.gz ZDHILVMVQLCINL-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001111171414 1368180180 /nfs/dbraw/zinc/18/01/80/1368180180.db2.gz CGFOYFWXMYESJN-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([N@H+](C)CCCCCF)C2)c1 ZINC001194228217 1368213310 /nfs/dbraw/zinc/21/33/10/1368213310.db2.gz PSZGXEJZPIGXKK-IBGZPJMESA-N 2 0 349.494 3.034 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001111465416 1368312252 /nfs/dbraw/zinc/31/22/52/1368312252.db2.gz UKQVQUPLQXIACA-GDFACCDQSA-N 2 0 347.547 3.329 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753291 1368443725 /nfs/dbraw/zinc/44/37/25/1368443725.db2.gz QSAJMFDOTSDJGJ-VZZLZSSXSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782343 1368459451 /nfs/dbraw/zinc/45/94/51/1368459451.db2.gz FBPWVNUDFLZPFN-YMAKWFKZSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2 ZINC001111782470 1368459913 /nfs/dbraw/zinc/45/99/13/1368459913.db2.gz KOJQZHXXQAMMBK-ZJOUEHCJSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001195852838 1368504095 /nfs/dbraw/zinc/50/40/95/1368504095.db2.gz DVLGNAYNQCKFTR-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986858 1368592108 /nfs/dbraw/zinc/59/21/08/1368592108.db2.gz CXTZPRGCAZIPNF-DYXWJJEUSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+](CC2CCCCCC2)CC1 ZINC001196342180 1368593309 /nfs/dbraw/zinc/59/33/09/1368593309.db2.gz YWKJZUZYAKQHMM-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196620032 1368650597 /nfs/dbraw/zinc/65/05/97/1368650597.db2.gz SKNQONIGRRJYLG-ICSRJNTNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641370 1368654147 /nfs/dbraw/zinc/65/41/47/1368654147.db2.gz CMIWMAAOAZPMMS-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485831 1368824349 /nfs/dbraw/zinc/82/43/49/1368824349.db2.gz YIIFZUKGHVOQRF-JBVUFVISSA-N 2 0 337.552 3.243 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401658 1368825732 /nfs/dbraw/zinc/82/57/32/1368825732.db2.gz QVMYKDAVKFSUOQ-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001112491488 1368888321 /nfs/dbraw/zinc/88/83/21/1368888321.db2.gz YUMVEHKQKGNOQS-RXVVDRJESA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197817012 1368904983 /nfs/dbraw/zinc/90/49/83/1368904983.db2.gz CPXULZFMYGZEAK-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529936 1368915843 /nfs/dbraw/zinc/91/58/43/1368915843.db2.gz VZELIMSBKUQJKS-ZJOUEHCJSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529871 1368916178 /nfs/dbraw/zinc/91/61/78/1368916178.db2.gz SIQFNQAGXRRJQS-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1)[NH+](C)C ZINC001112531900 1368916864 /nfs/dbraw/zinc/91/68/64/1368916864.db2.gz WGPYDQJVCCKXAU-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001112567223 1368930674 /nfs/dbraw/zinc/93/06/74/1368930674.db2.gz CTPIFRZRSKINLC-FPOVZHCZSA-N 2 0 347.547 3.047 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC001198135929 1368965629 /nfs/dbraw/zinc/96/56/29/1368965629.db2.gz CUOWGXSNUYAHSW-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1cncn1-c1cc[nH+]cc1 ZINC001198555570 1369060612 /nfs/dbraw/zinc/06/06/12/1369060612.db2.gz HDCWFYOFUBZUSA-QGZVFWFLSA-N 2 0 347.422 3.016 20 0 EGADRP CC(C)CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252435 1369293543 /nfs/dbraw/zinc/29/35/43/1369293543.db2.gz OSBSNKPLYSDUFG-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577728 1369392690 /nfs/dbraw/zinc/39/26/90/1369392690.db2.gz FNCRVBPOBBHUBH-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)Oc1cccc(F)c1 ZINC001200802004 1369431719 /nfs/dbraw/zinc/43/17/19/1369431719.db2.gz DMSOJWAHSOXOCX-INIZCTEOSA-N 2 0 346.446 3.323 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001113561518 1369494760 /nfs/dbraw/zinc/49/47/60/1369494760.db2.gz FYKIYFKTNMSJRL-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001201229895 1369499875 /nfs/dbraw/zinc/49/98/75/1369499875.db2.gz HNTSEZDECGBOIB-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201230530 1369499891 /nfs/dbraw/zinc/49/98/91/1369499891.db2.gz UBPJLKKGPJFONK-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001201313523 1369516353 /nfs/dbraw/zinc/51/63/53/1369516353.db2.gz CDTMECGTHRKXMP-HNNXBMFYSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001201379025 1369530615 /nfs/dbraw/zinc/53/06/15/1369530615.db2.gz UZDNINQIHPRJIK-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001201502340 1369558570 /nfs/dbraw/zinc/55/85/70/1369558570.db2.gz HPOHVZHVZRCKHA-ICSRJNTNSA-N 2 0 345.531 3.431 20 0 EGADRP CCCCCC[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001113680803 1369562249 /nfs/dbraw/zinc/56/22/49/1369562249.db2.gz UUUIHQGCURGHKW-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CCC[C@@H](C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201551122 1369572743 /nfs/dbraw/zinc/57/27/43/1369572743.db2.gz PJWHOWFTVBFVEJ-MISYRCLQSA-N 2 0 331.504 3.041 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cnc4ccsc4c3)cc[nH+]2)CC1 ZINC001201657809 1369597729 /nfs/dbraw/zinc/59/77/29/1369597729.db2.gz MXSBCKGFTKTSNH-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccnc3-c3ccccn3)cc[nH+]2)CC1 ZINC001201659383 1369598891 /nfs/dbraw/zinc/59/88/91/1369598891.db2.gz VLEAKSIMRYRVCO-UHFFFAOYSA-N 2 0 346.438 3.034 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201838462 1369631297 /nfs/dbraw/zinc/63/12/97/1369631297.db2.gz CPBLYWUHRXPIFK-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CCC[C@H](C)CC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001201980841 1369657896 /nfs/dbraw/zinc/65/78/96/1369657896.db2.gz GBAUUQBIYMPPRR-SFHVURJKSA-N 2 0 349.563 3.421 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001202197820 1369712911 /nfs/dbraw/zinc/71/29/11/1369712911.db2.gz WBIHSFMKSVIMSE-UHFFFAOYSA-N 2 0 335.492 3.116 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001202474310 1369783044 /nfs/dbraw/zinc/78/30/44/1369783044.db2.gz YVJGVBNCUAHEJM-IEBWSBKVSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CCC2CCCC2)CC1)[NH+](CC)CC ZINC001202473893 1369783124 /nfs/dbraw/zinc/78/31/24/1369783124.db2.gz RHRAAYYROVRKQZ-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001202510105 1369794844 /nfs/dbraw/zinc/79/48/44/1369794844.db2.gz HSZDSCQUPLJYAO-UHFFFAOYSA-N 2 0 345.531 3.031 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001114403461 1369933916 /nfs/dbraw/zinc/93/39/16/1369933916.db2.gz SMNMEAKZZZYYND-WCIQWLHISA-N 2 0 347.547 3.020 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203100934 1369983458 /nfs/dbraw/zinc/98/34/58/1369983458.db2.gz BVUODTUCTPNMRC-QZTJIDSGSA-N 2 0 347.547 3.066 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203104033 1369984686 /nfs/dbraw/zinc/98/46/86/1369984686.db2.gz PRSWGJQUPQNMGM-MSOLQXFVSA-N 2 0 349.563 3.457 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)CCCC1 ZINC001114629491 1369999388 /nfs/dbraw/zinc/99/93/88/1369999388.db2.gz ILPNLOKICLDFSA-DZFIZOCASA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203166837 1370007342 /nfs/dbraw/zinc/00/73/42/1370007342.db2.gz AQJBYVQDAURNEM-MSOLQXFVSA-N 2 0 340.471 3.011 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034752 1388043097 /nfs/dbraw/zinc/04/30/97/1388043097.db2.gz NAJLUUBLNPUJGD-KJYWSYJISA-N 2 0 343.515 3.226 20 0 EGADRP CC(C)[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230666 1370033027 /nfs/dbraw/zinc/03/30/27/1370033027.db2.gz PHRAKTNTTVBLNW-ROUUACIJSA-N 2 0 335.536 3.066 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001203288041 1370063692 /nfs/dbraw/zinc/06/36/92/1370063692.db2.gz NIWGWZMREXCDQS-ONEGZZNKSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330596 1370085035 /nfs/dbraw/zinc/08/50/35/1370085035.db2.gz LQPQIVHEBLUFDV-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C12CCC2 ZINC001203356817 1370096294 /nfs/dbraw/zinc/09/62/94/1370096294.db2.gz BTPWYWDBKRTISD-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828638 1370100998 /nfs/dbraw/zinc/10/09/98/1370100998.db2.gz HMXSTTZUUXJGOF-ZGXWSNOMSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccccc1F ZINC001203393067 1370109445 /nfs/dbraw/zinc/10/94/45/1370109445.db2.gz FIHNUVVHYGJHGW-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419779 1370118874 /nfs/dbraw/zinc/11/88/74/1370118874.db2.gz NKBDVGKTTBFULQ-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203631414 1370194049 /nfs/dbraw/zinc/19/40/49/1370194049.db2.gz NMFITSWHGCBNEB-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203641439 1370198116 /nfs/dbraw/zinc/19/81/16/1370198116.db2.gz QZFDXFBSZSNRGR-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(C)c1C ZINC001203727330 1370237373 /nfs/dbraw/zinc/23/73/73/1370237373.db2.gz QMIMQWYNFNOIPY-UHFFFAOYSA-N 2 0 325.456 3.338 20 0 EGADRP CC1(C)CC(C[NH2+]C2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001203739201 1370243993 /nfs/dbraw/zinc/24/39/93/1370243993.db2.gz FEZBUZIRODJCMG-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203773299 1370258926 /nfs/dbraw/zinc/25/89/26/1370258926.db2.gz VDMUYZRXWOVUJZ-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203794246 1370267822 /nfs/dbraw/zinc/26/78/22/1370267822.db2.gz WFWNCDGKGWBLDM-DLBZAZTESA-N 2 0 337.552 3.170 20 0 EGADRP COc1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001203817828 1370275986 /nfs/dbraw/zinc/27/59/86/1370275986.db2.gz LLJHTUJTTSMDJJ-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203823114 1370277883 /nfs/dbraw/zinc/27/78/83/1370277883.db2.gz GTNGFYDAOJORSQ-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C[C@@H]21 ZINC001204269152 1370428025 /nfs/dbraw/zinc/42/80/25/1370428025.db2.gz WBGARRSZYJSDLX-HLAWJBBLSA-N 2 0 346.515 3.264 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC001204269098 1370428555 /nfs/dbraw/zinc/42/85/55/1370428555.db2.gz UOHCWXZMASUVRS-HNNXBMFYSA-N 2 0 330.394 3.401 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573731 1370576372 /nfs/dbraw/zinc/57/63/72/1370576372.db2.gz VKSKXILHLVOJRK-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579385 1370582498 /nfs/dbraw/zinc/58/24/98/1370582498.db2.gz LGBLPFNLIXXPBG-IRXDYDNUSA-N 2 0 341.515 3.018 20 0 EGADRP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([NH3+])CC3)c2)cc1 ZINC001205123674 1370656734 /nfs/dbraw/zinc/65/67/34/1370656734.db2.gz DYIZBWJMBVOTJW-FQEVSTJZSA-N 2 0 338.451 3.453 20 0 EGADRP CCCCCCOc1ccccc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210104 1370681387 /nfs/dbraw/zinc/68/13/87/1370681387.db2.gz MRFUQXHNSTXFTC-FQEVSTJZSA-N 2 0 334.504 3.321 20 0 EGADRP CC(C)(C[N@@H+]1CCC[C@](O)(C[NH3+])CC1)Sc1ccc(Cl)cc1 ZINC001205210503 1370682338 /nfs/dbraw/zinc/68/23/38/1370682338.db2.gz OYNKLYVMSYRJDA-QGZVFWFLSA-N 2 0 342.936 3.386 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CCCCC1 ZINC001115708274 1370687655 /nfs/dbraw/zinc/68/76/55/1370687655.db2.gz XZHDWJVPKBHOLR-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001205231007 1370688654 /nfs/dbraw/zinc/68/86/54/1370688654.db2.gz VGMMEIIVLACXCH-CQSZACIVSA-N 2 0 336.785 3.035 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC001205247415 1370694491 /nfs/dbraw/zinc/69/44/91/1370694491.db2.gz HEVXPSCVJROKOQ-HXUWFJFHSA-N 2 0 346.421 3.308 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc(C[NH+]3CCC3)cc2)cn1 ZINC001205248594 1370694574 /nfs/dbraw/zinc/69/45/74/1370694574.db2.gz PSFJZHKYCUAHSJ-UHFFFAOYSA-N 2 0 325.456 3.285 20 0 EGADRP CC[NH+](CC)Cc1ccncc1-c1ccc(OCCC[NH+](C)C)nc1 ZINC001205255250 1370697214 /nfs/dbraw/zinc/69/72/14/1370697214.db2.gz DLVULGONBLBGNE-UHFFFAOYSA-N 2 0 342.487 3.316 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205296514 1370711178 /nfs/dbraw/zinc/71/11/78/1370711178.db2.gz QMOYTIVRCFKLNP-FQEVSTJZSA-N 2 0 325.456 3.461 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730438 1370713185 /nfs/dbraw/zinc/71/31/85/1370713185.db2.gz JQPCNMGBYQVIPN-AATRIKPKSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@H]1C[NH3+] ZINC001205305928 1370714855 /nfs/dbraw/zinc/71/48/55/1370714855.db2.gz UNWCAALHCSEMQC-NWDGAFQWSA-N 2 0 336.277 3.347 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490373 1370771021 /nfs/dbraw/zinc/77/10/21/1370771021.db2.gz CLNAPKWGFOOKTK-MJGOQNOKSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518944 1370778478 /nfs/dbraw/zinc/77/84/78/1370778478.db2.gz PUPDKMHODLNLJL-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001115806360 1370789808 /nfs/dbraw/zinc/78/98/08/1370789808.db2.gz VFJKCSLPVOLILE-CEXWTWQISA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205562024 1370792153 /nfs/dbraw/zinc/79/21/53/1370792153.db2.gz NUIHVJSNENHTRX-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616746 1370811807 /nfs/dbraw/zinc/81/18/07/1370811807.db2.gz PEDGSZNAFKXFHA-PLNGDYQASA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(F)cccc2Br)CC[C@@H]1C[NH3+] ZINC001205617925 1370812475 /nfs/dbraw/zinc/81/24/75/1370812475.db2.gz PGNSKKDUINDFFQ-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618419 1370813134 /nfs/dbraw/zinc/81/31/34/1370813134.db2.gz VVJITXKONMBNDX-OXJNMPFZSA-N 2 0 340.515 3.355 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625513 1370815906 /nfs/dbraw/zinc/81/59/06/1370815906.db2.gz SGSFNWVAYWSJJO-ONEGZZNKSA-N 2 0 340.471 3.132 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Br)c1 ZINC001205629205 1370817444 /nfs/dbraw/zinc/81/74/44/1370817444.db2.gz YKMWMGHXYQANPW-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205652032 1370829006 /nfs/dbraw/zinc/82/90/06/1370829006.db2.gz NQCWNZRNGRYTPP-KBPBESRZSA-N 2 0 338.879 3.324 20 0 EGADRP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC)c1Cl ZINC001205651208 1370829017 /nfs/dbraw/zinc/82/90/17/1370829017.db2.gz BBMFRANMXWINFS-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1OC(F)(F)F ZINC001205663342 1370833688 /nfs/dbraw/zinc/83/36/88/1370833688.db2.gz HWQJALLBWUQPSC-GXTWGEPZSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662653 1370833934 /nfs/dbraw/zinc/83/39/34/1370833934.db2.gz CWZXLBJSSCFZJQ-UTKZUKDTSA-N 2 0 332.532 3.338 20 0 EGADRP Cn1c2ccccc2c2cc(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)ccc21 ZINC001205672176 1370837937 /nfs/dbraw/zinc/83/79/37/1370837937.db2.gz GQLIBXJCAHNGRH-NRFANRHFSA-N 2 0 337.467 3.007 20 0 EGADRP [NH3+]C[C@H]1CN(Cc2ccc(-c3ccc(O)cc3)cc2)CCC1(F)F ZINC001205797110 1370874596 /nfs/dbraw/zinc/87/45/96/1370874596.db2.gz ZQMXRPNBHVJWRS-KRWDZBQOSA-N 2 0 332.394 3.475 20 0 EGADRP Cc1cnccc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001205851018 1370891276 /nfs/dbraw/zinc/89/12/76/1370891276.db2.gz SYRLWGGYBUPHFR-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP CC(C)(C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001205860357 1370895522 /nfs/dbraw/zinc/89/55/22/1370895522.db2.gz GGHJZOIWVCAESR-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001116480736 1370921081 /nfs/dbraw/zinc/92/10/81/1370921081.db2.gz QHYKYVRCOOKPNG-SWLSCSKDSA-N 2 0 326.868 3.177 20 0 EGADRP C[C@H]1C[N@H+](CCc2ccc(Br)cc2)CCC[C@H]1C[NH3+] ZINC001205981907 1370929021 /nfs/dbraw/zinc/92/90/21/1370929021.db2.gz IWLQAUMFYIUIJD-ZFWWWQNUSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)CCC[C@@H]1C[NH3+] ZINC001205994395 1370933049 /nfs/dbraw/zinc/93/30/49/1370933049.db2.gz LJVJNRRDEQDOKV-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1)[NH+](CC)CC ZINC001206246123 1371003008 /nfs/dbraw/zinc/00/30/08/1371003008.db2.gz RRWCCKVASWDXPI-IBGZPJMESA-N 2 0 339.568 3.371 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001206327420 1371023299 /nfs/dbraw/zinc/02/32/99/1371023299.db2.gz WGJQNOGLOIULLU-SFHVURJKSA-N 2 0 332.879 3.477 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Br ZINC001206326850 1371023323 /nfs/dbraw/zinc/02/33/23/1371023323.db2.gz PTKVUCHFTAQZOG-MRXNPFEDSA-N 2 0 341.293 3.409 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(OC3CCOCC3)cc2)C1 ZINC001206554431 1371092034 /nfs/dbraw/zinc/09/20/34/1371092034.db2.gz CHKHMNXFOYNTGN-HXUWFJFHSA-N 2 0 332.488 3.195 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)C1 ZINC001206564859 1371095587 /nfs/dbraw/zinc/09/55/87/1371095587.db2.gz QPHBIDBDGPUDMU-SFHVURJKSA-N 2 0 334.414 3.306 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615082 1371109061 /nfs/dbraw/zinc/10/90/61/1371109061.db2.gz BMALYLACOYHDTH-IBGZPJMESA-N 2 0 326.488 3.109 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001206616983 1371109913 /nfs/dbraw/zinc/10/99/13/1371109913.db2.gz WCBOHZIZKSDHOS-HNNXBMFYSA-N 2 0 328.456 3.418 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]C[C@@H](C)CC)CC1 ZINC001206621750 1371110847 /nfs/dbraw/zinc/11/08/47/1371110847.db2.gz FVLMRXIWUWXROK-SFHVURJKSA-N 2 0 339.568 3.373 20 0 EGADRP c1ccc2c(c1)CCC[N@@H+](Cc1ccc(CN3CCOCC3)cc1)C2 ZINC001206716917 1371143510 /nfs/dbraw/zinc/14/35/10/1371143510.db2.gz KVUGPVHBCDGXMV-UHFFFAOYSA-N 2 0 336.479 3.467 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)ccc1F ZINC001206749297 1371152743 /nfs/dbraw/zinc/15/27/43/1371152743.db2.gz DDYZDYGDXQIDND-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCc1cccc(Br)c1 ZINC001206761331 1371156866 /nfs/dbraw/zinc/15/68/66/1371156866.db2.gz WYRZYCDRJVHVDI-DZGCQCFKSA-N 2 0 325.294 3.441 20 0 EGADRP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001206772206 1371160343 /nfs/dbraw/zinc/16/03/43/1371160343.db2.gz ZFKSJLXBBUWCHK-NEPJUHHUSA-N 2 0 336.277 3.490 20 0 EGADRP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206772227 1371160668 /nfs/dbraw/zinc/16/06/68/1371160668.db2.gz ZJXGVOIACGAUTD-NWDGAFQWSA-N 2 0 336.277 3.490 20 0 EGADRP Cc1ncc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1C ZINC001206794586 1371168987 /nfs/dbraw/zinc/16/89/87/1371168987.db2.gz AYMINGGQGCNGQK-UHFFFAOYSA-N 2 0 326.488 3.073 20 0 EGADRP Cc1ncc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)n1C ZINC001206793480 1371169040 /nfs/dbraw/zinc/16/90/40/1371169040.db2.gz YMRPTBYCMGTQFR-IBGZPJMESA-N 2 0 342.487 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC001206794138 1371169455 /nfs/dbraw/zinc/16/94/55/1371169455.db2.gz JHAQJKWMYGQFTG-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206812532 1371177716 /nfs/dbraw/zinc/17/77/16/1371177716.db2.gz ZGUGVVAEFWOXAW-CABCVRRESA-N 2 0 329.488 3.472 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871294 1371198309 /nfs/dbraw/zinc/19/83/09/1371198309.db2.gz GMLZQTBABCWNDV-BGEOSOQGSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001206889446 1371209893 /nfs/dbraw/zinc/20/98/93/1371209893.db2.gz RPCREOVLUIUFCP-FPLPWBNLSA-N 2 0 337.552 3.293 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951516 1371243120 /nfs/dbraw/zinc/24/31/20/1371243120.db2.gz VPWFTGSCBYIXTO-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974981 1371255309 /nfs/dbraw/zinc/25/53/09/1371255309.db2.gz ZGQSZTIUDIVFRF-JNVNVXKGSA-N 2 0 349.563 3.434 20 0 EGADRP O=c1[nH]cccc1C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001207008753 1371265628 /nfs/dbraw/zinc/26/56/28/1371265628.db2.gz LXGIAKKMWWWSSK-MTQWCTHYSA-N 2 0 339.483 3.182 20 0 EGADRP O=c1[nH]cccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207012848 1371266879 /nfs/dbraw/zinc/26/68/79/1371266879.db2.gz ZEJKIRGEVUFORA-OALUTQOASA-N 2 0 337.467 3.131 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cccc(=O)[nH]1)CC2 ZINC001207067389 1371284636 /nfs/dbraw/zinc/28/46/36/1371284636.db2.gz WSQFDHJXTHEXBM-SFHVURJKSA-N 2 0 341.455 3.257 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC001326200184 1388127053 /nfs/dbraw/zinc/12/70/53/1388127053.db2.gz OMNQCQLWBOXMJD-UHFFFAOYSA-N 2 0 343.515 3.020 20 0 EGADRP O=c1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC001207128244 1371303335 /nfs/dbraw/zinc/30/33/35/1371303335.db2.gz ZSOBVQNRRPLNJN-OAQYLSRUSA-N 2 0 337.467 3.275 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001207261205 1371344370 /nfs/dbraw/zinc/34/43/70/1371344370.db2.gz NAEYWSOSJUKDLR-SFHVURJKSA-N 2 0 336.520 3.306 20 0 EGADRP c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1C[NH+]1CCCCC1 ZINC001119451025 1371346673 /nfs/dbraw/zinc/34/66/73/1371346673.db2.gz SWVKESYAYJZQBD-OAQYLSRUSA-N 2 0 343.515 3.338 20 0 EGADRP C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207274758 1371347800 /nfs/dbraw/zinc/34/78/00/1371347800.db2.gz GCZDDAXLVJFMJD-HZPDHXFCSA-N 2 0 341.540 3.199 20 0 EGADRP COC(=O)C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC001207292570 1371352521 /nfs/dbraw/zinc/35/25/21/1371352521.db2.gz UUWBUKAHXUYHDY-UHFFFAOYSA-N 2 0 344.499 3.316 20 0 EGADRP COC(=O)[C@@H]1CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC001207292337 1371352636 /nfs/dbraw/zinc/35/26/36/1371352636.db2.gz OIPIWXIWFHXKEW-FXAWDEMLSA-N 2 0 344.499 3.172 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207314065 1371358120 /nfs/dbraw/zinc/35/81/20/1371358120.db2.gz SRBVISBIBBNOQE-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207317741 1371359581 /nfs/dbraw/zinc/35/95/81/1371359581.db2.gz HCRGXRFCOYDMBU-INIZCTEOSA-N 2 0 327.513 3.050 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)CC1 ZINC001207395532 1371384046 /nfs/dbraw/zinc/38/40/46/1371384046.db2.gz SXQPWYFOAGEPRU-UHFFFAOYSA-N 2 0 330.447 3.088 20 0 EGADRP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH+](C)CC1 ZINC001207398880 1371384543 /nfs/dbraw/zinc/38/45/43/1371384543.db2.gz SIWWWZXUMQPBND-DFNIBXOVSA-N 2 0 345.535 3.220 20 0 EGADRP Fc1ccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c(Cl)c1Cl ZINC001207443315 1371396623 /nfs/dbraw/zinc/39/66/23/1371396623.db2.gz QQIRXPLRMIXVJG-UHFFFAOYSA-N 2 0 346.277 3.254 20 0 EGADRP CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CC1CC[NH2+]CC1 ZINC001207441712 1371396694 /nfs/dbraw/zinc/39/66/94/1371396694.db2.gz LGNSQVNVPPFDQI-RBUKOAKNSA-N 2 0 330.472 3.145 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001207487064 1371410361 /nfs/dbraw/zinc/41/03/61/1371410361.db2.gz GMJXUIANYBKSLY-OAQYLSRUSA-N 2 0 342.483 3.060 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001207486835 1371410761 /nfs/dbraw/zinc/41/07/61/1371410761.db2.gz NYGFTBAMBZAIIO-UHFFFAOYSA-N 2 0 328.500 3.282 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001207493974 1371412651 /nfs/dbraw/zinc/41/26/51/1371412651.db2.gz UVNLBRCLIQZVNS-KRWDZBQOSA-N 2 0 339.524 3.096 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C1)O[C@@H](C)C2 ZINC001119988564 1371443733 /nfs/dbraw/zinc/44/37/33/1371443733.db2.gz KGOGBIKVSLYSIM-MRHSLFKSSA-N 2 0 344.499 3.181 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001120010704 1371454122 /nfs/dbraw/zinc/45/41/22/1371454122.db2.gz VDOFGPCFIPMWLR-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCCC1 ZINC001120045905 1371467241 /nfs/dbraw/zinc/46/72/41/1371467241.db2.gz ICGHFTAZKIBVDT-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)(C)CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120140343 1371494115 /nfs/dbraw/zinc/49/41/15/1371494115.db2.gz CYCFDEIRBMAUFC-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CCCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001207790425 1371505374 /nfs/dbraw/zinc/50/53/74/1371505374.db2.gz SVXHJOJGLKISEG-DNVCBOLYSA-N 2 0 342.487 3.129 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3(C)COC3)C[C@H]21 ZINC001207796624 1371506770 /nfs/dbraw/zinc/50/67/70/1371506770.db2.gz YUNKHLDMLBMVQZ-KBAYOESNSA-N 2 0 334.529 3.317 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207838062 1371516117 /nfs/dbraw/zinc/51/61/17/1371516117.db2.gz DUNLSXVXCPOYPK-UHFFFAOYSA-N 2 0 329.532 3.068 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C[C@H](C)c3ccccc3)CC2)C1 ZINC001207912963 1371536049 /nfs/dbraw/zinc/53/60/49/1371536049.db2.gz AAKXGHZIJXCIDV-PKOBYXMFSA-N 2 0 344.499 3.140 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207954333 1371550600 /nfs/dbraw/zinc/55/06/00/1371550600.db2.gz HICLKGNFHAVBCB-HXUWFJFHSA-N 2 0 343.515 3.327 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCCO4)CC[C@@H]3C2)cc1 ZINC001207963317 1371552763 /nfs/dbraw/zinc/55/27/63/1371552763.db2.gz FVCLGXMKDAOHPN-NJYVYQBISA-N 2 0 328.500 3.400 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001120432119 1371575704 /nfs/dbraw/zinc/57/57/04/1371575704.db2.gz YGFVPTYADYCMJD-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048693 1371580313 /nfs/dbraw/zinc/58/03/13/1371580313.db2.gz JVYXEBVHLKKRLC-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120463287 1371585277 /nfs/dbraw/zinc/58/52/77/1371585277.db2.gz YFNBYLORARFXGL-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092323 1371593869 /nfs/dbraw/zinc/59/38/69/1371593869.db2.gz OBYFUOVZMARGDL-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001208112294 1371598692 /nfs/dbraw/zinc/59/86/92/1371598692.db2.gz UTCSYHRWTPRQOU-QFIPXVFZSA-N 2 0 341.543 3.459 20 0 EGADRP C[NH+](C)CC1(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)CCCC1 ZINC001208187928 1371627213 /nfs/dbraw/zinc/62/72/13/1371627213.db2.gz PONJQDSUMCSRKL-UHFFFAOYSA-N 2 0 341.540 3.345 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)CCCC1 ZINC001208189611 1371629906 /nfs/dbraw/zinc/62/99/06/1371629906.db2.gz WANHGTLZVKVAPM-UHFFFAOYSA-N 2 0 335.467 3.186 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](CC3(c4ccccc4)CCOCC3)C2)CC1 ZINC001208235345 1371670452 /nfs/dbraw/zinc/67/04/52/1371670452.db2.gz CYMSEQMQNJMXFB-UHFFFAOYSA-N 2 0 328.500 3.153 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208280008 1371696114 /nfs/dbraw/zinc/69/61/14/1371696114.db2.gz XHODLDFIXRHPEF-MGBKSAOESA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1)c1ccccc1 ZINC001208447020 1371768937 /nfs/dbraw/zinc/76/89/37/1371768937.db2.gz FWPRFOHTYQPNIH-RTBURBONSA-N 2 0 345.531 3.449 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001208447156 1371769537 /nfs/dbraw/zinc/76/95/37/1371769537.db2.gz IXVREEVAFWLGGB-WMZOPIPTSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460213 1371775666 /nfs/dbraw/zinc/77/56/66/1371775666.db2.gz QFLUYBWYKQMBRR-IAGOWNOFSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208459555 1371775790 /nfs/dbraw/zinc/77/57/90/1371775790.db2.gz BYFQCOLCRKAHNS-KRWDZBQOSA-N 2 0 337.552 3.410 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471738 1371780462 /nfs/dbraw/zinc/78/04/62/1371780462.db2.gz YOSQAGRXPOBWLX-QGZVFWFLSA-N 2 0 342.487 3.417 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208596016 1371835396 /nfs/dbraw/zinc/83/53/96/1371835396.db2.gz ZIJJSRRZRNGRIJ-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001208630460 1371846981 /nfs/dbraw/zinc/84/69/81/1371846981.db2.gz AJJVYVSAIPCXBA-RUCARUNLSA-N 2 0 336.520 3.020 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001121111712 1371856388 /nfs/dbraw/zinc/85/63/88/1371856388.db2.gz JNYOFMHDRBLOPJ-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](CCC1CCCC1)CC2 ZINC001208692864 1371863494 /nfs/dbraw/zinc/86/34/94/1371863494.db2.gz DMRIVJVXLVHDBX-UHFFFAOYSA-N 2 0 330.520 3.307 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](CCC2CCCC2)CC3)cn1 ZINC001208694498 1371864155 /nfs/dbraw/zinc/86/41/55/1371864155.db2.gz YPYYBLDTUGCWEB-UHFFFAOYSA-N 2 0 330.520 3.431 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121193384 1371885565 /nfs/dbraw/zinc/88/55/65/1371885565.db2.gz BADVZCDBEXAAHZ-MBEFBZSESA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2)[NH+](C)C ZINC001121267278 1371915583 /nfs/dbraw/zinc/91/55/83/1371915583.db2.gz JFAOYRHATWUGIG-FCOWATRHSA-N 2 0 349.563 3.170 20 0 EGADRP OCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927636 1371948195 /nfs/dbraw/zinc/94/81/95/1371948195.db2.gz AYPSHGPTGYJAEF-JOCHJYFZSA-N 2 0 338.495 3.393 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208931025 1371950885 /nfs/dbraw/zinc/95/08/85/1371950885.db2.gz GYWZGWJPPDXAPX-HBMCJLEFSA-N 2 0 328.500 3.400 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CCC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC001208938086 1371955026 /nfs/dbraw/zinc/95/50/26/1371955026.db2.gz WUNNNDNWHHAMTN-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP CCOC(=O)CC1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940761 1371955709 /nfs/dbraw/zinc/95/57/09/1371955709.db2.gz GJSDNLWGRLRPDD-HXUWFJFHSA-N 2 0 344.499 3.174 20 0 EGADRP CC[N@@H+]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208949444 1371960957 /nfs/dbraw/zinc/96/09/57/1371960957.db2.gz VKUKFXSVWWHYGV-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001121508149 1371994176 /nfs/dbraw/zinc/99/41/76/1371994176.db2.gz HLUXKWJQZPTPST-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(CCCc1cccnc1)[C@@H]2C ZINC001209173702 1372024686 /nfs/dbraw/zinc/02/46/86/1372024686.db2.gz GZMJYYFYNOEXLR-QGZVFWFLSA-N 2 0 341.503 3.128 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC001209186381 1372030305 /nfs/dbraw/zinc/03/03/05/1372030305.db2.gz XXRASHPJLOCDPE-FGZHOGPDSA-N 2 0 335.495 3.386 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001121653546 1372036820 /nfs/dbraw/zinc/03/68/20/1372036820.db2.gz JBXNFMNWXSJFCP-UFQJCFOOSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001209250901 1372051164 /nfs/dbraw/zinc/05/11/64/1372051164.db2.gz JCJGKNYFGVFQKH-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC001209377975 1372082718 /nfs/dbraw/zinc/08/27/18/1372082718.db2.gz IQCAXCVSOXVSCG-ROUUACIJSA-N 2 0 338.536 3.014 20 0 EGADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209414377 1372099057 /nfs/dbraw/zinc/09/90/57/1372099057.db2.gz LVQOJIFOTUWLTQ-DBOLQNLKSA-N 2 0 332.532 3.103 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001326408792 1388180397 /nfs/dbraw/zinc/18/03/97/1388180397.db2.gz OGHAVDMKTUFNHG-LJQANCHMSA-N 2 0 331.504 3.051 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001209588811 1372144594 /nfs/dbraw/zinc/14/45/94/1372144594.db2.gz JQOMQKRYIYNUQQ-UXHICEINSA-N 2 0 345.531 3.196 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3n2CC[NH2+][C@H]3C)c1 ZINC001121991597 1372147780 /nfs/dbraw/zinc/14/77/80/1372147780.db2.gz UYAHEKBMIOMWAU-HNNXBMFYSA-N 2 0 340.471 3.246 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@H]([NH3+])CC(C)C ZINC001121997609 1372149125 /nfs/dbraw/zinc/14/91/25/1372149125.db2.gz XYDNNIHROFAZJE-QGZVFWFLSA-N 2 0 349.544 3.246 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209613085 1372150825 /nfs/dbraw/zinc/15/08/25/1372150825.db2.gz GQCVFPIFKIILRG-MMKWGKFASA-N 2 0 337.552 3.434 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+](CC)CC ZINC001209613615 1372151070 /nfs/dbraw/zinc/15/10/70/1372151070.db2.gz KFRMFMRVDGKOHK-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001209614722 1372151858 /nfs/dbraw/zinc/15/18/58/1372151858.db2.gz PZRKUOFNNPRKDG-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001209615962 1372152435 /nfs/dbraw/zinc/15/24/35/1372152435.db2.gz XTOXFJJJXANEHT-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC001209641350 1372159768 /nfs/dbraw/zinc/15/97/68/1372159768.db2.gz ZKTOLJKIDUHRLB-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP Cc1nc2ccccn2c1C[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001209653176 1372162389 /nfs/dbraw/zinc/16/23/89/1372162389.db2.gz MHZJGEDJNJOTCJ-UHFFFAOYSA-N 2 0 326.488 3.482 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122063937 1372166401 /nfs/dbraw/zinc/16/64/01/1372166401.db2.gz PNQGLDFGKONITP-CGAYHSHTSA-N 2 0 347.547 3.090 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122081003 1372171165 /nfs/dbraw/zinc/17/11/65/1372171165.db2.gz YQKLCCQFXBWZGF-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2 ZINC001122093513 1372173011 /nfs/dbraw/zinc/17/30/11/1372173011.db2.gz FFXUWKBHTVJZER-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1ccccc1)C2 ZINC001122106515 1372175557 /nfs/dbraw/zinc/17/55/57/1372175557.db2.gz KOIQSGIEIAOYHB-GICSWVMSSA-N 2 0 343.515 3.106 20 0 EGADRP [NH3+]CC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC001122194141 1372198875 /nfs/dbraw/zinc/19/88/75/1372198875.db2.gz NWLVMAHRHIUFJN-GHTZIAJQSA-N 2 0 349.478 3.130 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231089 1372206762 /nfs/dbraw/zinc/20/67/62/1372206762.db2.gz CKNMPIDJIZXZCF-OOHKROOZSA-N 2 0 347.547 3.233 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC001122243019 1372210111 /nfs/dbraw/zinc/21/01/11/1372210111.db2.gz XBNLWZNMHCELIL-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122248083 1372211956 /nfs/dbraw/zinc/21/19/56/1372211956.db2.gz FCTQVPZNWNYAQI-BQYQJAHWSA-N 2 0 335.536 3.090 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001209939721 1372237946 /nfs/dbraw/zinc/23/79/46/1372237946.db2.gz GQCYEJCPBBRBOM-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210229166 1372300242 /nfs/dbraw/zinc/30/02/42/1372300242.db2.gz MOYGIFCCDASEBS-VPLQDYMCSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1nc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)c(C)cc2s1 ZINC001210267524 1372310696 /nfs/dbraw/zinc/31/06/96/1372310696.db2.gz HKCREAAWLOPPOV-UHFFFAOYSA-N 2 0 339.468 3.461 20 0 EGADRP Clc1cnc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc2c1 ZINC001210268083 1372310938 /nfs/dbraw/zinc/31/09/38/1372310938.db2.gz UYMLQZBJXPUWTP-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001210427605 1372350444 /nfs/dbraw/zinc/35/04/44/1372350444.db2.gz GYCZDGVSTZRTDS-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001210485399 1372364477 /nfs/dbraw/zinc/36/44/77/1372364477.db2.gz JIWZVOSZPUGWNP-WSTZPKSXSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001210634893 1372396811 /nfs/dbraw/zinc/39/68/11/1372396811.db2.gz UEICDMKBDIYDTJ-PYUISTEWSA-N 2 0 343.943 3.222 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210743597 1372417640 /nfs/dbraw/zinc/41/76/40/1372417640.db2.gz JPNQHAPYURVTMJ-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+]1CCC(n2cc(Nc3c[nH+]ccc3N3CCCCC3)cn2)CC1 ZINC001210754269 1372419566 /nfs/dbraw/zinc/41/95/66/1372419566.db2.gz ZEOHBOWINDIPEH-UHFFFAOYSA-N 2 0 340.475 3.279 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001210774318 1372424342 /nfs/dbraw/zinc/42/43/42/1372424342.db2.gz RUJALXNCEJHUHA-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211240611 1372509379 /nfs/dbraw/zinc/50/93/79/1372509379.db2.gz NVOQBVYSNPDOIT-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240760 1372510121 /nfs/dbraw/zinc/51/01/21/1372510121.db2.gz PIHCULNIJYOYFC-VZSQWMKGSA-N 2 0 335.536 3.189 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001211241029 1372510271 /nfs/dbraw/zinc/51/02/71/1372510271.db2.gz RBWHEACTZLMMTI-HXUWFJFHSA-N 2 0 347.547 3.334 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001211278685 1372518892 /nfs/dbraw/zinc/51/88/92/1372518892.db2.gz UCDDVWOAOXNWIS-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@@H](C)[NH2+]C/C=C/Cl)cc1)[NH+](C)C ZINC001326479366 1388208153 /nfs/dbraw/zinc/20/81/53/1388208153.db2.gz HFHHYLKUTKBRED-RCILALKUSA-N 2 0 337.895 3.046 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C(C)C)C1)[NH+](CC)CC ZINC001211674380 1372600593 /nfs/dbraw/zinc/60/05/93/1372600593.db2.gz CAVDETZXHRFHTL-XUVXKRRUSA-N 2 0 345.531 3.099 20 0 EGADRP Clc1cc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)cc2ccoc21 ZINC001212320764 1372685541 /nfs/dbraw/zinc/68/55/41/1372685541.db2.gz ZLURAXOIRAFPKY-UHFFFAOYSA-N 2 0 346.818 3.225 20 0 EGADRP C[NH+]1CCN(c2cccc(Nc3c[nH+]ccc3N3CCCC3)c2)CC1 ZINC001212712753 1372758976 /nfs/dbraw/zinc/75/89/76/1372758976.db2.gz BBHPNLKQOSLDTK-UHFFFAOYSA-N 2 0 337.471 3.177 20 0 EGADRP CC(C)(C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)[NH+]1CCCCC1 ZINC001127321644 1373115364 /nfs/dbraw/zinc/11/53/64/1373115364.db2.gz BFHZPNYMBZSRQJ-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214755283 1373115543 /nfs/dbraw/zinc/11/55/43/1373115543.db2.gz YQXUCXNCVJJGDB-RUBBHVMPSA-N 2 0 349.544 3.216 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC001127538213 1373137205 /nfs/dbraw/zinc/13/72/05/1373137205.db2.gz DQHFOGBMVRTCPD-IBGZPJMESA-N 2 0 329.488 3.135 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@H]1C ZINC001214917394 1373141665 /nfs/dbraw/zinc/14/16/65/1373141665.db2.gz YTQYEGSYQZYPHL-QRVBRYPASA-N 2 0 348.535 3.343 20 0 EGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584287 1388248143 /nfs/dbraw/zinc/24/81/43/1388248143.db2.gz VBKHULBGKHVTSN-QZTJIDSGSA-N 2 0 343.515 3.026 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1sccc1C[NH+](C)C)c1ccccc1F ZINC001128545287 1373288174 /nfs/dbraw/zinc/28/81/74/1373288174.db2.gz WYXRKHPLMWUKQY-ZDUSSCGKSA-N 2 0 349.475 3.029 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216323589 1373300076 /nfs/dbraw/zinc/30/00/76/1373300076.db2.gz HTIVYOAZRCZTQO-CNQOUZKXSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001216511356 1373313009 /nfs/dbraw/zinc/31/30/09/1373313009.db2.gz PEQARAQNOJTVFN-QWFCFKBJSA-N 2 0 345.531 3.224 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001216843149 1373350056 /nfs/dbraw/zinc/35/00/56/1373350056.db2.gz YEYLXTSXASUYHS-LDBCMITESA-N 2 0 343.515 3.155 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001129421768 1373382310 /nfs/dbraw/zinc/38/23/10/1373382310.db2.gz BSPCHWHXWDKPCC-MOPGFXCFSA-N 2 0 345.531 3.333 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001129954020 1373439541 /nfs/dbraw/zinc/43/95/41/1373439541.db2.gz XDQNKRGIJSQYBY-JXFKEZNVSA-N 2 0 341.499 3.193 20 0 EGADRP Clc1ccc([C@H]2C[C@H]2c2nnc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1 ZINC001217756860 1373498799 /nfs/dbraw/zinc/49/87/99/1373498799.db2.gz AOHSXEWGFAIXQL-HZPDHXFCSA-N 2 0 346.862 3.083 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CO[C@H]3CCC[C@]34CC[NH2+]C4)C2)cc1 ZINC001217803135 1373502337 /nfs/dbraw/zinc/50/23/37/1373502337.db2.gz PNRIDVGEHOMYEA-PCCBWWKXSA-N 2 0 328.500 3.447 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4C[NH2+]CCC[C@H]4F)cc32)CC1 ZINC001217982725 1373525971 /nfs/dbraw/zinc/52/59/71/1373525971.db2.gz WJDIFQCNINILJF-UYAOXDASSA-N 2 0 345.462 3.446 20 0 EGADRP c1ccc2c(c1)ccc(O[C@H]1C[NH2+]CCOC1)c2C[NH+]1CCCCC1 ZINC001218042644 1373546859 /nfs/dbraw/zinc/54/68/59/1373546859.db2.gz SBJFKHZOBWSFRV-SFHVURJKSA-N 2 0 340.467 3.193 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001130615631 1373571228 /nfs/dbraw/zinc/57/12/28/1373571228.db2.gz ORBLQVNQLFMPBH-FMIVXFBMSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001130808457 1373593976 /nfs/dbraw/zinc/59/39/76/1373593976.db2.gz BUVSTRCPXYCYDN-QGZVFWFLSA-N 2 0 343.515 3.205 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC001130809858 1373594072 /nfs/dbraw/zinc/59/40/72/1373594072.db2.gz JPYYNPHOKMPKTF-QGZVFWFLSA-N 2 0 349.906 3.125 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218334738 1373599347 /nfs/dbraw/zinc/59/93/47/1373599347.db2.gz FSDVYHLESLUSLS-UZLBHIALSA-N 2 0 337.467 3.017 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001130874730 1373600842 /nfs/dbraw/zinc/60/08/42/1373600842.db2.gz LKWHIECREPMHMI-INIZCTEOSA-N 2 0 336.439 3.032 20 0 EGADRP CC[C@]1(c2cccc(OCCO[C@@H]3CC[NH2+]C3)c2)CCCC[N@H+](C)C1 ZINC001218388287 1373605162 /nfs/dbraw/zinc/60/51/62/1373605162.db2.gz QGUXAMYBBMADPC-RTWAWAEBSA-N 2 0 346.515 3.207 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)C1CC[NH2+]CC1 ZINC001326664240 1388271969 /nfs/dbraw/zinc/27/19/69/1388271969.db2.gz NJLADLLLOYVORM-INIZCTEOSA-N 2 0 329.488 3.247 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001218938798 1373667883 /nfs/dbraw/zinc/66/78/83/1373667883.db2.gz LBLMLANHPZLILF-FQEVSTJZSA-N 2 0 335.451 3.052 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001218937605 1373668072 /nfs/dbraw/zinc/66/80/72/1373668072.db2.gz DXSGSJJSTHEDPD-FPOVZHCZSA-N 2 0 349.478 3.054 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001188246348 1388274968 /nfs/dbraw/zinc/27/49/68/1388274968.db2.gz JEIJEODEHGOXNW-IPMKNSEASA-N 2 0 349.563 3.220 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@@H]3C[C@H](c4ccccc4)CC[NH2+]3)cc2)CCC1 ZINC001218973324 1373672564 /nfs/dbraw/zinc/67/25/64/1373672564.db2.gz YBSIHDUOHQLGAQ-XLIONFOSSA-N 2 0 349.478 3.499 20 0 EGADRP [NH3+][C@@H](C(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1)C1CC[NH2+]CC1 ZINC001218988645 1373675000 /nfs/dbraw/zinc/67/50/00/1373675000.db2.gz JHZUTDSZCQYJJX-HXUWFJFHSA-N 2 0 348.450 3.100 20 0 EGADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205076 1373768040 /nfs/dbraw/zinc/76/80/40/1373768040.db2.gz PMYPGDIPZTYNDW-QZTJIDSGSA-N 2 0 349.494 3.136 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001221374488 1373771308 /nfs/dbraw/zinc/77/13/08/1373771308.db2.gz MUYRXAGVEXSLKB-MSOLQXFVSA-N 2 0 331.504 3.284 20 0 EGADRP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001221848872 1373798504 /nfs/dbraw/zinc/79/85/04/1373798504.db2.gz KBPWAKUGKVNLTI-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccc(F)cc1 ZINC001131799513 1373810081 /nfs/dbraw/zinc/81/00/81/1373810081.db2.gz QNSLLRLJNUJERJ-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+]CC1CCC2(CC2)CC1)C1CCCCC1 ZINC001131818885 1373820439 /nfs/dbraw/zinc/82/04/39/1373820439.db2.gz DYWICDLNJLCPOA-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001131844841 1373833779 /nfs/dbraw/zinc/83/37/79/1373833779.db2.gz NXPXNAJYESIKNO-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401560 1373838210 /nfs/dbraw/zinc/83/82/10/1373838210.db2.gz WMOFYPKNTYAPPH-UHFFFAOYSA-N 2 0 332.532 3.295 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001188346605 1388294300 /nfs/dbraw/zinc/29/43/00/1388294300.db2.gz RSPCHGGYELDAEO-HXUWFJFHSA-N 2 0 347.547 3.334 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929430 1375047622 /nfs/dbraw/zinc/04/76/22/1375047622.db2.gz VNYVRRMGLUVKLY-HZQHCPKGSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929489 1375047998 /nfs/dbraw/zinc/04/79/98/1375047998.db2.gz YAVLRZNBZDFHRX-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001225087458 1375092445 /nfs/dbraw/zinc/09/24/45/1375092445.db2.gz FUIPPYSHMQUACY-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001225246009 1375099451 /nfs/dbraw/zinc/09/94/51/1375099451.db2.gz ZPLGBEWHOUEJPN-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225447923 1375112104 /nfs/dbraw/zinc/11/21/04/1375112104.db2.gz BQCDJXMEIFVBTO-HXUWFJFHSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132106790 1375151888 /nfs/dbraw/zinc/15/18/88/1375151888.db2.gz VKDWQEXYDWZUSW-HKUYNNGSSA-N 2 0 347.547 3.330 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCC2)C1 ZINC001132152786 1375172958 /nfs/dbraw/zinc/17/29/58/1375172958.db2.gz IVHBIDXGVXQKCV-SJLPKXTDSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132153138 1375173525 /nfs/dbraw/zinc/17/35/25/1375173525.db2.gz NRIJMKALRWNPOF-RDJZCZTQSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CCCCCF ZINC001132173073 1375188007 /nfs/dbraw/zinc/18/80/07/1375188007.db2.gz HADOQNXYROONCF-NVXWUHKLSA-N 2 0 346.450 3.057 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132202046 1375205417 /nfs/dbraw/zinc/20/54/17/1375205417.db2.gz BJQFQXIRZBOYHY-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207224 1375209542 /nfs/dbraw/zinc/20/95/42/1375209542.db2.gz RJWJWKCCNLVBBS-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001226332816 1375241274 /nfs/dbraw/zinc/24/12/74/1375241274.db2.gz BBCWQYDEKOUPHS-WFPOREQPSA-N 2 0 335.536 3.090 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC1CCCCCC1 ZINC001132270993 1375258705 /nfs/dbraw/zinc/25/87/05/1375258705.db2.gz YKWQJHFMUFYKOQ-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132270263 1375258922 /nfs/dbraw/zinc/25/89/22/1375258922.db2.gz RNYUZMJCJOANFG-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132274475 1375260230 /nfs/dbraw/zinc/26/02/30/1375260230.db2.gz UVPVJIYMZLFWCU-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277456 1375261036 /nfs/dbraw/zinc/26/10/36/1375261036.db2.gz HGCXRYOUEMWDRN-HKUYNNGSSA-N 2 0 345.531 3.231 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001226613810 1375292406 /nfs/dbraw/zinc/29/24/06/1375292406.db2.gz KUPUGPYSQVGCNX-QRVBRYPASA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C)CCC1 ZINC001226782083 1375332812 /nfs/dbraw/zinc/33/28/12/1375332812.db2.gz JAVNTWAESVJDTK-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132409554 1375358378 /nfs/dbraw/zinc/35/83/78/1375358378.db2.gz AWFRNRFGEDKZPA-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCC1CCCC1 ZINC001132434642 1375380169 /nfs/dbraw/zinc/38/01/69/1375380169.db2.gz ZWYDFCOPHCUYCB-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCC2)C1 ZINC001132436791 1375380921 /nfs/dbraw/zinc/38/09/21/1375380921.db2.gz OHUWIUYYKSPYIK-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132436382 1375381751 /nfs/dbraw/zinc/38/17/51/1375381751.db2.gz LCAFGVGNXKYMMJ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132437156 1375382083 /nfs/dbraw/zinc/38/20/83/1375382083.db2.gz QWPAVOUAQDHMIR-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001227083853 1375386387 /nfs/dbraw/zinc/38/63/87/1375386387.db2.gz ZCBVRLNSENTVRR-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1C ZINC001327089793 1388375676 /nfs/dbraw/zinc/37/56/76/1388375676.db2.gz NZDUBGSKXROMGU-KRWDZBQOSA-N 2 0 329.488 3.096 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517290 1375435493 /nfs/dbraw/zinc/43/54/93/1375435493.db2.gz AOZAUQOSSIAMIL-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521235 1375438289 /nfs/dbraw/zinc/43/82/89/1375438289.db2.gz ABRPLADUWGUCGW-PXNSSMCTSA-N 2 0 345.531 3.058 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132522770 1375439500 /nfs/dbraw/zinc/43/95/00/1375439500.db2.gz SAWABBYIZFUCLW-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132526103 1375442326 /nfs/dbraw/zinc/44/23/26/1375442326.db2.gz YGPDSKQUAIZBBM-XOIGSVRCSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548806 1375455994 /nfs/dbraw/zinc/45/59/94/1375455994.db2.gz JGSPYFHJPXCQMS-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC[NH+](CCCC3CCCC3)CC2)CCC1 ZINC001227807026 1375478098 /nfs/dbraw/zinc/47/80/98/1375478098.db2.gz LCSUTXITROPAPB-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CCC(C[NH+]2CCC(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001227877756 1375486025 /nfs/dbraw/zinc/48/60/25/1375486025.db2.gz YDFIGXXYOFVPGC-AFMYVXGZSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001227877783 1375486103 /nfs/dbraw/zinc/48/61/03/1375486103.db2.gz YXBOFCUNEQTRMN-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001228168947 1375523137 /nfs/dbraw/zinc/52/31/37/1375523137.db2.gz NJGWRZUBVQHHKH-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c(C)c1 ZINC001228355885 1375555992 /nfs/dbraw/zinc/55/59/92/1375555992.db2.gz VIHLYDJOAFAVJD-WOJBJXKFSA-N 2 0 345.531 3.081 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001228440499 1375572749 /nfs/dbraw/zinc/57/27/49/1375572749.db2.gz JPNAASUUEQHOTI-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001228569363 1375599976 /nfs/dbraw/zinc/59/99/76/1375599976.db2.gz PCHVIISAOLCEAV-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133011831 1375710299 /nfs/dbraw/zinc/71/02/99/1375710299.db2.gz NFGJHYNRPVXIAA-MOPGFXCFSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133039939 1375731816 /nfs/dbraw/zinc/73/18/16/1375731816.db2.gz XYLUTSAILDPGKC-HMTUNPETSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133084755 1375766163 /nfs/dbraw/zinc/76/61/63/1375766163.db2.gz XDYPDJSLRUBWPR-DDRDIHNTSA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC001229231676 1375791552 /nfs/dbraw/zinc/79/15/52/1375791552.db2.gz SMOSWMNHFRZUKT-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001229524712 1375851654 /nfs/dbraw/zinc/85/16/54/1375851654.db2.gz REAXMURPXJQQMD-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133250554 1375869696 /nfs/dbraw/zinc/86/96/96/1375869696.db2.gz YKFKORKTPHQPQS-IRXDYDNUSA-N 2 0 346.519 3.026 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001229651456 1375871910 /nfs/dbraw/zinc/87/19/10/1375871910.db2.gz BNPNIOHVTYTWMN-AQNXPRMDSA-N 2 0 345.531 3.497 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133261441 1375877167 /nfs/dbraw/zinc/87/71/67/1375877167.db2.gz AOBRJIQZYCGUCF-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133274861 1375890181 /nfs/dbraw/zinc/89/01/81/1375890181.db2.gz NJBNIEGKZSOUOC-TYFAACHXSA-N 2 0 337.552 3.149 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229800324 1375895634 /nfs/dbraw/zinc/89/56/34/1375895634.db2.gz DHELAQJUNUZMTQ-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001229852857 1375904099 /nfs/dbraw/zinc/90/40/99/1375904099.db2.gz MRDMKAZBJPAPOY-WOJBJXKFSA-N 2 0 345.531 3.244 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001230257281 1375979606 /nfs/dbraw/zinc/97/96/06/1375979606.db2.gz OQUFAPAQNWBPTC-WOJBJXKFSA-N 2 0 347.547 3.380 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001230274784 1375980760 /nfs/dbraw/zinc/98/07/60/1375980760.db2.gz LGTBJWOYVPHFQT-VAMGGRTRSA-N 2 0 345.531 3.495 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC001133410686 1375993460 /nfs/dbraw/zinc/99/34/60/1375993460.db2.gz VHZQASRCQMJQFM-UHFFFAOYSA-N 2 0 339.911 3.008 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001230378596 1376011271 /nfs/dbraw/zinc/01/12/71/1376011271.db2.gz QKGAKIDJBPAWFI-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230506690 1376044229 /nfs/dbraw/zinc/04/42/29/1376044229.db2.gz BTEADRPXYRSHBU-AUUYWEPGSA-N 2 0 336.439 3.435 20 0 EGADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230518956 1376051348 /nfs/dbraw/zinc/05/13/48/1376051348.db2.gz WHEYXBNLBQMPHO-HIFRSBDPSA-N 2 0 337.427 3.145 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598786 1376094446 /nfs/dbraw/zinc/09/44/46/1376094446.db2.gz YYOFSUQDYRJQSI-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC(C)C2)CC1 ZINC001230611148 1376100482 /nfs/dbraw/zinc/10/04/82/1376100482.db2.gz NSUUTQIZQXIDOW-AFMYVXGZSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872968 1376332843 /nfs/dbraw/zinc/33/28/43/1376332843.db2.gz VHHQAYHXVSCZKT-HXUWFJFHSA-N 2 0 329.488 3.321 20 0 EGADRP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015651 1376384301 /nfs/dbraw/zinc/38/43/01/1376384301.db2.gz JXTFCUJFYLUJBU-INIZCTEOSA-N 2 0 344.459 3.442 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnsc3)C[C@H]21 ZINC001232228141 1376419160 /nfs/dbraw/zinc/41/91/60/1376419160.db2.gz MRHPNSXVIMQXCF-QXAKKESOSA-N 2 0 342.512 3.271 20 0 EGADRP Cc1nc(N)ccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001232339085 1376444138 /nfs/dbraw/zinc/44/41/38/1376444138.db2.gz OLGCNVOUIFZYGB-UHFFFAOYSA-N 2 0 340.471 3.053 20 0 EGADRP Nc1ccc(F)cc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001232510556 1376471076 /nfs/dbraw/zinc/47/10/76/1376471076.db2.gz ZQWZOKGGQNVLFX-UHFFFAOYSA-N 2 0 343.446 3.489 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2ncsc2c1 ZINC001232741250 1376511397 /nfs/dbraw/zinc/51/13/97/1376511397.db2.gz JUKZHHZWSLTFNK-UHFFFAOYSA-N 2 0 334.533 3.002 20 0 EGADRP Cc1ccc(Cl)cc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001233250246 1376599960 /nfs/dbraw/zinc/59/99/60/1376599960.db2.gz CATAXVPLFZSLSZ-UHFFFAOYSA-N 2 0 325.928 3.354 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001134582927 1376607211 /nfs/dbraw/zinc/60/72/11/1376607211.db2.gz BPJOMIYIRPVZLH-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)cc1 ZINC001134772833 1376712657 /nfs/dbraw/zinc/71/26/57/1376712657.db2.gz IETSZQUBULKDKF-DLBZAZTESA-N 2 0 347.547 3.352 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001134773394 1376713642 /nfs/dbraw/zinc/71/36/42/1376713642.db2.gz OHRJFDCCWFNADG-QZTJIDSGSA-N 2 0 347.547 3.407 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791375 1376724276 /nfs/dbraw/zinc/72/42/76/1376724276.db2.gz RALOFJBNLFMPOJ-IAGOWNOFSA-N 2 0 337.552 3.479 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858509 1376757342 /nfs/dbraw/zinc/75/73/42/1376757342.db2.gz VFPOJJVLNWJKFN-IAGOWNOFSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858155 1376757580 /nfs/dbraw/zinc/75/75/80/1376757580.db2.gz OXYJMNOTOYSEDL-ZWKOTPCHSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cs1 ZINC001134858647 1376758374 /nfs/dbraw/zinc/75/83/74/1376758374.db2.gz XGTWZTCKTQXNAP-LSDHHAIUSA-N 2 0 349.544 3.058 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892090 1376771089 /nfs/dbraw/zinc/77/10/89/1376771089.db2.gz JXTTUOBDKVKGQH-HUUCEWRRSA-N 2 0 342.487 3.257 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892887 1376772129 /nfs/dbraw/zinc/77/21/29/1376772129.db2.gz QLROYQZPXGEJFH-JKSUJKDBSA-N 2 0 342.487 3.401 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001134903329 1376778198 /nfs/dbraw/zinc/77/81/98/1376778198.db2.gz FQQYSGPJOYPIKZ-IBGZPJMESA-N 2 0 347.503 3.219 20 0 EGADRP Fc1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235036586 1376834009 /nfs/dbraw/zinc/83/40/09/1376834009.db2.gz LTPROXYUEILSQB-TZIWHRDSSA-N 2 0 340.442 3.303 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235243264 1376862427 /nfs/dbraw/zinc/86/24/27/1376862427.db2.gz WQNVYOHFAWWGLU-SQUSKLHYSA-N 2 0 342.483 3.227 20 0 EGADRP c1cc(OC2CCCCC2)ncc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235338115 1376869205 /nfs/dbraw/zinc/86/92/05/1376869205.db2.gz BUVVCVOHIJBVSM-UHFFFAOYSA-N 2 0 329.488 3.225 20 0 EGADRP COc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431110 1376871564 /nfs/dbraw/zinc/87/15/64/1376871564.db2.gz UQILFCRQBGJZDJ-JKSUJKDBSA-N 2 0 327.472 3.388 20 0 EGADRP Clc1cccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)c1 ZINC001235473546 1376872968 /nfs/dbraw/zinc/87/29/68/1376872968.db2.gz PEHVFMKYLTWQBU-UHFFFAOYSA-N 2 0 347.915 3.369 20 0 EGADRP CCOc1cc(Br)cc(C[N@H+](CC)C2CC[NH2+]CC2)c1 ZINC001235764503 1376890104 /nfs/dbraw/zinc/89/01/04/1376890104.db2.gz HMIUZYUEGXWGIY-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C)[NH2+]CCC1CC1 ZINC001135102171 1376899944 /nfs/dbraw/zinc/89/99/44/1376899944.db2.gz XXDFCDIGQCCLGB-SJORKVTESA-N 2 0 345.531 3.077 20 0 EGADRP c1csc([C@@H]2C[NH2+]CCN2C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001236113778 1376933677 /nfs/dbraw/zinc/93/36/77/1376933677.db2.gz IUHDVKCXANUKMH-OALUTQOASA-N 2 0 341.524 3.217 20 0 EGADRP COC(=O)c1ccc(-c2cccc(C[NH+]3CCC[NH2+]CCC3)c2)cc1 ZINC001236240830 1376944668 /nfs/dbraw/zinc/94/46/68/1376944668.db2.gz NBFMEADGDTUAHW-UHFFFAOYSA-N 2 0 338.451 3.326 20 0 EGADRP c1cc2c(cccc2C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)o1 ZINC001236737356 1376963565 /nfs/dbraw/zinc/96/35/65/1376963565.db2.gz JOQIHTRMOUQSMD-HDICACEKSA-N 2 0 333.435 3.392 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135299513 1377027219 /nfs/dbraw/zinc/02/72/19/1377027219.db2.gz XJSQVFJCHVSBFO-HZPDHXFCSA-N 2 0 349.519 3.408 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1C ZINC001135316638 1377034313 /nfs/dbraw/zinc/03/43/13/1377034313.db2.gz VOWXJDATFMUIEU-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]CCc2cc(Br)ccc2OC)CC[NH2+]1 ZINC001246159010 1377050235 /nfs/dbraw/zinc/05/02/35/1377050235.db2.gz NXNAYMHOIQXYQF-GJZGRUSLSA-N 2 0 341.293 3.120 20 0 EGADRP COc1cc(CC[NH2+]C2CCC3(CCC[NH2+]C3)CC2)cc(OC)c1 ZINC001246159305 1377050343 /nfs/dbraw/zinc/05/03/43/1377050343.db2.gz PJUJDNPASVHRBP-UHFFFAOYSA-N 2 0 332.488 3.148 20 0 EGADRP Clc1cccc(CC[NH2+]C2CCC3(CC2)C[NH2+]CCO3)c1Cl ZINC001246160633 1377050428 /nfs/dbraw/zinc/05/04/28/1377050428.db2.gz UKMIHGUAFOBAJR-UHFFFAOYSA-N 2 0 343.298 3.427 20 0 EGADRP Fc1ccccc1CC1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246380822 1377051486 /nfs/dbraw/zinc/05/14/86/1377051486.db2.gz KPIYZOQSOVXNAH-UYAOXDASSA-N 3 0 345.506 3.002 20 0 EGADRP Fc1ccccc1CC1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001246380493 1377051714 /nfs/dbraw/zinc/05/17/14/1377051714.db2.gz HPUOUCWDBRIEOT-GOSISDBHSA-N 3 0 345.506 3.002 20 0 EGADRP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC001246714772 1377053232 /nfs/dbraw/zinc/05/32/32/1377053232.db2.gz NFTGDGNJOFWJSP-FYKRDEHLSA-N 2 0 326.484 3.308 20 0 EGADRP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246746739 1377054055 /nfs/dbraw/zinc/05/40/55/1377054055.db2.gz LPZMFAGTQXCCJT-OYBTXZFASA-N 2 0 345.556 3.319 20 0 EGADRP Fc1ccc(CN2CCC[N@@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246822719 1377055345 /nfs/dbraw/zinc/05/53/45/1377055345.db2.gz MTHZEUMTERQXAS-SFTDATJTSA-N 2 0 345.506 3.256 20 0 EGADRP C[NH2+]C[C@H]1CCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246939218 1377055832 /nfs/dbraw/zinc/05/58/32/1377055832.db2.gz QZNPZCROSXGSFG-PLACYPQZSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135376244 1377062224 /nfs/dbraw/zinc/06/22/24/1377062224.db2.gz RXMGJVRPSDOAFX-IRXDYDNUSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001135379030 1377063944 /nfs/dbraw/zinc/06/39/44/1377063944.db2.gz OIRHTWSHCYVQPA-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001135440597 1377098663 /nfs/dbraw/zinc/09/86/63/1377098663.db2.gz PHLNJHOFPMPNJH-SFHVURJKSA-N 2 0 333.520 3.274 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481234 1377113929 /nfs/dbraw/zinc/11/39/29/1377113929.db2.gz RQLBBCBFFYVLEG-DLBZAZTESA-N 2 0 339.568 3.418 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001135607754 1377161045 /nfs/dbraw/zinc/16/10/45/1377161045.db2.gz BZRWFIKPTYYGCD-ZWKOTPCHSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675687 1377180881 /nfs/dbraw/zinc/18/08/81/1377180881.db2.gz KFOBCATZCGGLAK-JKSUJKDBSA-N 2 0 331.504 3.035 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135743352 1377199300 /nfs/dbraw/zinc/19/93/00/1377199300.db2.gz IZXHFVAXMCMTGB-OLZOCXBDSA-N 2 0 345.940 3.116 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788386 1377211042 /nfs/dbraw/zinc/21/10/42/1377211042.db2.gz DPHFMEFZJCLWIS-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135789249 1377211193 /nfs/dbraw/zinc/21/11/93/1377211193.db2.gz QMWRCNNNCDDHPN-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001135908290 1377258218 /nfs/dbraw/zinc/25/82/18/1377258218.db2.gz WDDIKTQKHFOHGX-ROUUACIJSA-N 2 0 327.557 3.418 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935489 1377269071 /nfs/dbraw/zinc/26/90/71/1377269071.db2.gz UMQYZUPPOPIEGU-HZPDHXFCSA-N 2 0 344.503 3.135 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135965390 1377278555 /nfs/dbraw/zinc/27/85/55/1377278555.db2.gz BSJNITOMECFXHZ-NUQYTELCSA-N 2 0 325.541 3.338 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135966698 1377279375 /nfs/dbraw/zinc/27/93/75/1377279375.db2.gz QJSGWUPGBADESK-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135974471 1377283904 /nfs/dbraw/zinc/28/39/04/1377283904.db2.gz PTYKKYWOEDNLHE-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CCCC[NH+](C)C ZINC001135977288 1377284532 /nfs/dbraw/zinc/28/45/32/1377284532.db2.gz RRLAPRAOHPDABS-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135980299 1377285856 /nfs/dbraw/zinc/28/58/56/1377285856.db2.gz NGRMFVFWABEAHK-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001135995164 1377291764 /nfs/dbraw/zinc/29/17/64/1377291764.db2.gz AEPRCFIMTMIZGW-IRXDYDNUSA-N 2 0 327.557 3.418 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135995626 1377292194 /nfs/dbraw/zinc/29/21/94/1377292194.db2.gz IRYWLPTYNLOBAZ-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266639762 1377355896 /nfs/dbraw/zinc/35/58/96/1377355896.db2.gz GZVYZIIIFCEDNT-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001266653707 1377359863 /nfs/dbraw/zinc/35/98/63/1377359863.db2.gz QZMRCJDAJMHEEW-RAFMOHDBSA-N 2 0 347.547 3.185 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC001136640010 1377411776 /nfs/dbraw/zinc/41/17/76/1377411776.db2.gz IHJNSRUDQYJFGT-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001267095481 1377412083 /nfs/dbraw/zinc/41/20/83/1377412083.db2.gz ZDKOYWDDALVVHN-WOJBJXKFSA-N 2 0 343.515 3.080 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cnccc1Cl ZINC001137237736 1377502445 /nfs/dbraw/zinc/50/24/45/1377502445.db2.gz HJHMNARRGLIWEC-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP C[C@@H]1CCc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)sc2C1 ZINC001327386693 1388509487 /nfs/dbraw/zinc/50/94/87/1388509487.db2.gz MGCJJRVBPASSNA-GDBMZVCRSA-N 2 0 333.545 3.480 20 0 EGADRP Cc1c2ccccc2[nH]c1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001138402616 1377717967 /nfs/dbraw/zinc/71/79/67/1377717967.db2.gz QSRPFTLBODOQLJ-UHFFFAOYSA-N 2 0 330.520 3.182 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC001138772012 1377782273 /nfs/dbraw/zinc/78/22/73/1377782273.db2.gz CSLPVVHCRHKIOQ-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(-c3cnccn3)cc1)CC2 ZINC001139395172 1377878395 /nfs/dbraw/zinc/87/83/95/1377878395.db2.gz SBYXMYBOKQSDKR-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP C[NH+](C)CCN1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC001139411530 1377880652 /nfs/dbraw/zinc/88/06/52/1377880652.db2.gz QSSJVGCYYUUXAQ-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2ccccc2)s1 ZINC001139414646 1377880732 /nfs/dbraw/zinc/88/07/32/1377880732.db2.gz RSQTUMKZZXKYSJ-UHFFFAOYSA-N 2 0 331.529 3.340 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC001139507458 1377894781 /nfs/dbraw/zinc/89/47/81/1377894781.db2.gz IVEDULGNGZREGH-UHFFFAOYSA-N 2 0 345.531 3.075 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccnn2)CC3)cc1 ZINC001139971099 1377985200 /nfs/dbraw/zinc/98/52/00/1377985200.db2.gz BXASYDYYGIEFSU-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCC[N@H+](Cc4ccncn4)C3)CC2)cc1 ZINC001140350075 1378050594 /nfs/dbraw/zinc/05/05/94/1378050594.db2.gz XFRGEVHHLLNGPI-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(-c3cncnc3)cc1)CC2 ZINC001140357189 1378051998 /nfs/dbraw/zinc/05/19/98/1378051998.db2.gz TWCHCPXNWLOAKJ-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4cccc(F)c4)s3)C[C@@H]2C1 ZINC001140415184 1378059851 /nfs/dbraw/zinc/05/98/51/1378059851.db2.gz VGZWBSDSNAMMCG-CABCVRRESA-N 2 0 331.460 3.333 20 0 EGADRP CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc2c[nH+]cn21 ZINC001274111428 1378117002 /nfs/dbraw/zinc/11/70/02/1378117002.db2.gz ZCMCPZIVGKNAGJ-JXFKEZNVSA-N 2 0 340.471 3.090 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140705309 1378119359 /nfs/dbraw/zinc/11/93/59/1378119359.db2.gz HTHRUHXVZYHDOT-FQEVSTJZSA-N 2 0 339.483 3.270 20 0 EGADRP Cc1nccnc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001140936673 1378184910 /nfs/dbraw/zinc/18/49/10/1378184910.db2.gz XAUDFOLABCUZBU-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c2c1ccnc2Cl ZINC001277364872 1378219473 /nfs/dbraw/zinc/21/94/73/1378219473.db2.gz IYPCMSAUCHOGHD-OKILXGFUSA-N 2 0 332.879 3.000 20 0 EGADRP CCCC[C@H](CC)C[N@H+]1CC[C@H]2C[NH+](Cc3nncn3C)C[C@H]2CC1 ZINC001277623840 1378241096 /nfs/dbraw/zinc/24/10/96/1378241096.db2.gz NLISLTQIEDILFD-GBESFXJTSA-N 2 0 347.551 3.175 20 0 EGADRP CC(C)[NH+]1CCC(CN(C)Cc2ncc(Cl)nc2Cl)CC1 ZINC001141136910 1378246558 /nfs/dbraw/zinc/24/65/58/1378246558.db2.gz MZLUXBPWDCSHBS-UHFFFAOYSA-N 2 0 331.291 3.336 20 0 EGADRP CC[N@H+]1C[C@H]2CN(Cc3cccc(-c4ccc(F)cc4)n3)C[C@H]2C1 ZINC001141210369 1378269838 /nfs/dbraw/zinc/26/98/38/1378269838.db2.gz MEKZBCMHCDIUBK-CALCHBBNSA-N 2 0 325.431 3.271 20 0 EGADRP COc1cc(C(F)(F)F)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001141609076 1378349512 /nfs/dbraw/zinc/34/95/12/1378349512.db2.gz WJZWNFCSSRIMON-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccsc1 ZINC001141610174 1378350809 /nfs/dbraw/zinc/35/08/09/1378350809.db2.gz FUFPDCFKHBMKBP-INIZCTEOSA-N 2 0 339.549 3.225 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141740353 1378369476 /nfs/dbraw/zinc/36/94/76/1378369476.db2.gz ZBXJUQXKNDQGKM-UHFFFAOYSA-N 2 0 349.522 3.327 20 0 EGADRP Cc1ccc(-c2ccc(C[N@H+](C)CCN3CC[NH+](C)CC3)cc2)cc1 ZINC001142309587 1378432976 /nfs/dbraw/zinc/43/29/76/1378432976.db2.gz IHNJUPSFIALTOU-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP c1coc(C[N@H+]2C[C@@H]3C[C@@H](CN(Cc4ccnc5[nH]ccc54)C3)C2)c1 ZINC001142874266 1378500947 /nfs/dbraw/zinc/50/09/47/1378500947.db2.gz OGWNHNADKATBIW-IYBDPMFKSA-N 2 0 336.439 3.110 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001142923253 1378509958 /nfs/dbraw/zinc/50/99/58/1378509958.db2.gz QPQNHXJQQIBNSO-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CCC(C)(C)C ZINC001143139995 1378546076 /nfs/dbraw/zinc/54/60/76/1378546076.db2.gz ICJPONZGKZZWFC-QZTJIDSGSA-N 2 0 339.568 3.323 20 0 EGADRP COc1ccc(CN2CCC3(C[NH+](C)C3)CC2)cc1C(F)(F)F ZINC001143646352 1378630765 /nfs/dbraw/zinc/63/07/65/1378630765.db2.gz PNRPZDIQAKGFRZ-UHFFFAOYSA-N 2 0 328.378 3.242 20 0 EGADRP CCc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c1 ZINC001144326723 1378717359 /nfs/dbraw/zinc/71/73/59/1378717359.db2.gz PJOLXPXYVLPYRW-LJQANCHMSA-N 2 0 344.499 3.098 20 0 EGADRP CN(C)[C@H](C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1 ZINC001144590167 1378748951 /nfs/dbraw/zinc/74/89/51/1378748951.db2.gz XTECFMCLYQMBNI-FQEVSTJZSA-N 2 0 346.434 3.489 20 0 EGADRP C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283222579 1378764834 /nfs/dbraw/zinc/76/48/34/1378764834.db2.gz SLXLRBAJFCXGGF-HKUYNNGSSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001283316789 1378801073 /nfs/dbraw/zinc/80/10/73/1378801073.db2.gz HZKRCTQLGUAEKE-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CCCC1CCCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001283325601 1378810296 /nfs/dbraw/zinc/81/02/96/1378810296.db2.gz NXGXPFBIOUYQOZ-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146535327 1378862105 /nfs/dbraw/zinc/86/21/05/1378862105.db2.gz MDGSLTMCYQMDBS-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001146592686 1378873353 /nfs/dbraw/zinc/87/33/53/1378873353.db2.gz KKNUOHGEIWFFIC-HOTGVXAUSA-N 2 0 345.487 3.146 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001146590870 1378874087 /nfs/dbraw/zinc/87/40/87/1378874087.db2.gz CNILUNFEIGXFRW-SHDPZIPESA-N 2 0 345.531 3.303 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146614316 1378878071 /nfs/dbraw/zinc/87/80/71/1378878071.db2.gz XTDUPRGHPGHDBE-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001147204668 1378986654 /nfs/dbraw/zinc/98/66/54/1378986654.db2.gz PEQMCKHTOAQNTI-GOSISDBHSA-N 2 0 345.531 3.087 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001147359139 1379008362 /nfs/dbraw/zinc/00/83/62/1379008362.db2.gz LYBNJSDNJNBZGK-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001147358542 1379008512 /nfs/dbraw/zinc/00/85/12/1379008512.db2.gz GIZGLEQSPXIGMF-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541335 1379039821 /nfs/dbraw/zinc/03/98/21/1379039821.db2.gz MLZREPQVURUSPN-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCCCC1 ZINC001283611713 1379052956 /nfs/dbraw/zinc/05/29/56/1379052956.db2.gz JTZKLAQCGGBTCZ-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658165 1379056600 /nfs/dbraw/zinc/05/66/00/1379056600.db2.gz IRJQGRGUBJGGGL-GHOSXJJBSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147835508 1379088097 /nfs/dbraw/zinc/08/80/97/1379088097.db2.gz TUKCYQLCACPWPW-HKUYNNGSSA-N 2 0 345.531 3.136 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCCCC)C2 ZINC001148458725 1379175760 /nfs/dbraw/zinc/17/57/60/1379175760.db2.gz VFJMABYINHCQQH-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839558 1379280903 /nfs/dbraw/zinc/28/09/03/1379280903.db2.gz RABUSBFRTADWSU-SNAWJCMRSA-N 2 0 347.547 3.143 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001327841101 1388604189 /nfs/dbraw/zinc/60/41/89/1388604189.db2.gz VFCBQRXBMLTQLK-DLBZAZTESA-N 3 0 333.520 3.187 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CN1C(=O)CCC[NH+](C)C ZINC001284006293 1379357208 /nfs/dbraw/zinc/35/72/08/1379357208.db2.gz ZEPXCRJOEXYSHN-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001284133057 1379518189 /nfs/dbraw/zinc/51/81/89/1379518189.db2.gz UBGMBWPIDYVONA-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754326291 1440580800 /nfs/dbraw/zinc/58/08/00/1440580800.db2.gz HAKQHUHMSOOVEI-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237232 1379892066 /nfs/dbraw/zinc/89/20/66/1379892066.db2.gz KJPMNLDLVHTBPE-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H](C[NH2+]CC2CCC2)C(C)(C)C)cc1 ZINC001284630506 1380034444 /nfs/dbraw/zinc/03/44/44/1380034444.db2.gz IJCIJABAPJHMIW-IBGZPJMESA-N 2 0 345.531 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C ZINC001153720590 1380118925 /nfs/dbraw/zinc/11/89/25/1380118925.db2.gz LXGPCOCXKMKAJU-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818863 1380136099 /nfs/dbraw/zinc/13/60/99/1380136099.db2.gz DBQYYRMHRQXCGU-MJGOQNOKSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823940 1380137700 /nfs/dbraw/zinc/13/77/00/1380137700.db2.gz FNIUXALXGCTPFS-APWZRJJASA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123047 1380213077 /nfs/dbraw/zinc/21/30/77/1380213077.db2.gz MIXONONROLMWOI-MSOLQXFVSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC001154465941 1380283102 /nfs/dbraw/zinc/28/31/02/1380283102.db2.gz PAENNZJDSJNEFA-WSTZPKSXSA-N 2 0 345.531 3.224 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579695 1380309184 /nfs/dbraw/zinc/30/91/84/1380309184.db2.gz ADORHSKWTVWYNS-QGZVFWFLSA-N 2 0 325.541 3.268 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1)[NH+](CC)CC ZINC001155174608 1380419567 /nfs/dbraw/zinc/41/95/67/1380419567.db2.gz GYAJLTCJBRQMQO-MJGOQNOKSA-N 2 0 333.520 3.134 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282990 1380433354 /nfs/dbraw/zinc/43/33/54/1380433354.db2.gz GNAKYOQAGVGDEK-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[C@H](C)n1ccnc1 ZINC001155520768 1380463661 /nfs/dbraw/zinc/46/36/61/1380463661.db2.gz CBTBVAVBPHTEHN-DLBZAZTESA-N 2 0 334.508 3.241 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC001155803039 1380493343 /nfs/dbraw/zinc/49/33/43/1380493343.db2.gz VUBDAOOIGNXEQY-OXQOHEQNSA-N 2 0 339.483 3.091 20 0 EGADRP COc1cc2c[nH+]c(NCC[C@H]3CCC[N@H+](C)C3)cc2cc1OC ZINC001156386406 1380569296 /nfs/dbraw/zinc/56/92/96/1380569296.db2.gz SHECNYBSCVIWCZ-CQSZACIVSA-N 2 0 329.444 3.396 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC001156432387 1380575517 /nfs/dbraw/zinc/57/55/17/1380575517.db2.gz SCOGKOUUVNGPKC-MRXNPFEDSA-N 2 0 338.455 3.308 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1 ZINC001156510103 1380586222 /nfs/dbraw/zinc/58/62/22/1380586222.db2.gz HORWVWCZIOJYNS-GOSISDBHSA-N 2 0 333.520 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(Cl)cc1 ZINC001156525452 1380588086 /nfs/dbraw/zinc/58/80/86/1380588086.db2.gz OZGJFAUBZFKQQT-OAHLLOKOSA-N 2 0 339.911 3.008 20 0 EGADRP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701407 1381007937 /nfs/dbraw/zinc/00/79/37/1381007937.db2.gz DNQZUCGJTZMDBU-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP Cc1ccc2ccnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)c2c1 ZINC001157837455 1381047818 /nfs/dbraw/zinc/04/78/18/1381047818.db2.gz CILABVBKJDTWQS-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001157893398 1381063101 /nfs/dbraw/zinc/06/31/01/1381063101.db2.gz FFDHKICGTVAKLI-LHZAFZKQSA-N 2 0 343.515 3.059 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978183 1381091546 /nfs/dbraw/zinc/09/15/46/1381091546.db2.gz OODAYKIHKNAWDB-ODWICZQRSA-N 2 0 349.563 3.386 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001158012077 1381103460 /nfs/dbraw/zinc/10/34/60/1381103460.db2.gz CWEBPCIZQWBUNC-GOSISDBHSA-N 2 0 335.455 3.426 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158039557 1381109384 /nfs/dbraw/zinc/10/93/84/1381109384.db2.gz SIUZPZNHYFVKIK-UXHICEINSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CC1 ZINC001158061569 1381116962 /nfs/dbraw/zinc/11/69/62/1381116962.db2.gz OPTYBSHWFWTOKR-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001158065660 1381117799 /nfs/dbraw/zinc/11/77/99/1381117799.db2.gz LVMHBFSCNWRFCR-WOJBJXKFSA-N 2 0 349.563 3.243 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158418882 1381239374 /nfs/dbraw/zinc/23/93/74/1381239374.db2.gz CHXSVGDJEYDNRT-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419105 1381240173 /nfs/dbraw/zinc/24/01/73/1381240173.db2.gz KMUZNSXNHARJRU-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434783 1381245532 /nfs/dbraw/zinc/24/55/32/1381245532.db2.gz MGOZJWILZWPMDV-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001158445698 1381247787 /nfs/dbraw/zinc/24/77/87/1381247787.db2.gz NRTSHZHJCKNSFK-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480547 1381260577 /nfs/dbraw/zinc/26/05/77/1381260577.db2.gz NTPVJMADRROBKF-LIXSYLKWSA-N 2 0 349.563 3.388 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158689246 1381354870 /nfs/dbraw/zinc/35/48/70/1381354870.db2.gz FZUKIIBMHLEPPT-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704133 1381360183 /nfs/dbraw/zinc/36/01/83/1381360183.db2.gz DIQTWONGHDZSIO-CSHXORCISA-N 2 0 337.552 3.388 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001158714647 1381363011 /nfs/dbraw/zinc/36/30/11/1381363011.db2.gz XVYWEGZDNGSQBY-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158750565 1381381965 /nfs/dbraw/zinc/38/19/65/1381381965.db2.gz MTPSLLJXIZKUTB-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccccc1Nc1cccnc1N1CC[C@@H]([NH3+])C1 ZINC001159330417 1381765563 /nfs/dbraw/zinc/76/55/63/1381765563.db2.gz NMJUVYNXARJNST-QGZVFWFLSA-N 2 0 339.487 3.204 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(Nc2cccnc2N2CC[C@@H]([NH3+])C2)cc1 ZINC001159330905 1381766504 /nfs/dbraw/zinc/76/65/04/1381766504.db2.gz ZAJCEIYLDYBNIB-QGZVFWFLSA-N 2 0 339.487 3.108 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001159334186 1381767908 /nfs/dbraw/zinc/76/79/08/1381767908.db2.gz ACFATXSGVDEMEN-YLZBSDIZSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001159334717 1381768037 /nfs/dbraw/zinc/76/80/37/1381768037.db2.gz GFJQLANJJIDPGD-RTBURBONSA-N 2 0 349.494 3.247 20 0 EGADRP c1[nH+]cn(Cc2ccccc2)c1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159456173 1381798571 /nfs/dbraw/zinc/79/85/71/1381798571.db2.gz WUFOZSQCJJZSNR-UHFFFAOYSA-N 2 0 333.439 3.085 20 0 EGADRP c1cc(CN2CC[NH2+]CC2)cc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001159637024 1381855665 /nfs/dbraw/zinc/85/56/65/1381855665.db2.gz JOWZCXRFHATSJC-NRFANRHFSA-N 2 0 336.483 3.260 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCC(F)(F)c3ccccn3)c2)CC1 ZINC001159793845 1381902426 /nfs/dbraw/zinc/90/24/26/1381902426.db2.gz BGJIYVSPQDHHQB-UHFFFAOYSA-N 2 0 348.397 3.154 20 0 EGADRP C[NH2+]Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)cc1 ZINC001159862542 1381924107 /nfs/dbraw/zinc/92/41/07/1381924107.db2.gz WDPXZVOSEZMOLG-UHFFFAOYSA-N 2 0 330.863 3.213 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001159979255 1381956986 /nfs/dbraw/zinc/95/69/86/1381956986.db2.gz HOHIRHJZDYZFIT-VQTJNVASSA-N 2 0 345.531 3.306 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[NH+](CC)CC)cc1 ZINC001160110330 1381999709 /nfs/dbraw/zinc/99/97/09/1381999709.db2.gz AIOBUSMFJSGYSN-WOJBJXKFSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120278 1382003114 /nfs/dbraw/zinc/00/31/14/1382003114.db2.gz KWNYOXIECPTBHD-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1[nH]c2ccc(Nc3cc(F)ccc3O[C@@H]3CC[NH2+]C3)cc2[nH+]1 ZINC001160141599 1382013429 /nfs/dbraw/zinc/01/34/29/1382013429.db2.gz IKUUQXVIHFBTNH-CQSZACIVSA-N 2 0 326.375 3.495 20 0 EGADRP C[NH+]1CCC(COc2ccc(F)cc2NC=CC2CC[NH2+]CC2)CC1 ZINC001160144743 1382016034 /nfs/dbraw/zinc/01/60/34/1382016034.db2.gz PBMXPTQKMSLYAP-IZZDOVSWSA-N 2 0 347.478 3.472 20 0 EGADRP [NH3+]Cc1cnccc1Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001160357984 1382083020 /nfs/dbraw/zinc/08/30/20/1382083020.db2.gz BOEAZWXJPBZMBD-FQEVSTJZSA-N 2 0 336.483 3.049 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379832 1382088064 /nfs/dbraw/zinc/08/80/64/1382088064.db2.gz NWPXCTJGBUOJDZ-GOSISDBHSA-N 2 0 349.563 3.291 20 0 EGADRP COc1ccc2c(Nc3cccc4c3[C@@H]3C[NH2+]C[C@H]3O4)cc[nH+]c2c1 ZINC001160397408 1382093391 /nfs/dbraw/zinc/09/33/91/1382093391.db2.gz YFWYYWOIXRQZLA-AUUYWEPGSA-N 2 0 333.391 3.435 20 0 EGADRP c1cc2c(c(Nc3ccc(C4CC[NH2+]CC4)cc3)c1)[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160400270 1382094238 /nfs/dbraw/zinc/09/42/38/1382094238.db2.gz QXADPJSIXQFZCU-XLIONFOSSA-N 2 0 335.451 3.345 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC001290680865 1382103432 /nfs/dbraw/zinc/10/34/32/1382103432.db2.gz JURHFWPUDOTMPS-BZSNNMDCSA-N 2 0 325.541 3.074 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492400 1382121669 /nfs/dbraw/zinc/12/16/69/1382121669.db2.gz RHPSSMSUWYURDV-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617028 1382154057 /nfs/dbraw/zinc/15/40/57/1382154057.db2.gz CASKYRDCHWJHMK-UHFFFAOYSA-N 2 0 340.471 3.277 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160955937 1382251129 /nfs/dbraw/zinc/25/11/29/1382251129.db2.gz CLSNODLFHKYBJG-IHPCNDPISA-N 2 0 345.531 3.119 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)c1cc2c[nH]ccc-2n1)c1ccc(F)cc1 ZINC001160990312 1382263674 /nfs/dbraw/zinc/26/36/74/1382263674.db2.gz IFFKUCJODHMYSW-ZDUSSCGKSA-N 2 0 340.402 3.173 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161021295 1382275320 /nfs/dbraw/zinc/27/53/20/1382275320.db2.gz NHTPLZMBKGARID-SREVYHEPSA-N 2 0 347.547 3.213 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@](C)([NH3+])CC(C)C)CC2)CC1 ZINC001161046873 1382283165 /nfs/dbraw/zinc/28/31/65/1382283165.db2.gz ADAGEMVODYCOQW-HXUWFJFHSA-N 2 0 337.552 3.111 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CCC(C)C)CC1)[NH+](CC)CC ZINC001161214307 1382344758 /nfs/dbraw/zinc/34/47/58/1382344758.db2.gz YKGDYDSIBDUJFR-LJQANCHMSA-N 2 0 337.552 3.291 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001161226355 1382348648 /nfs/dbraw/zinc/34/86/48/1382348648.db2.gz FEGQXEJHPCLONZ-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391945 1382397835 /nfs/dbraw/zinc/39/78/35/1382397835.db2.gz ZNBPAASUZWBBMC-FQEVSTJZSA-N 2 0 347.547 3.354 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444931 1382412777 /nfs/dbraw/zinc/41/27/77/1382412777.db2.gz MUZOZKIVKFVNBT-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@H+](Cc1ccc(N2CCC([NH3+])(CC3CCC3)CC2)nc1)C1CC1 ZINC001161576578 1382444362 /nfs/dbraw/zinc/44/43/62/1382444362.db2.gz PWUVGMLGIXVMDJ-UHFFFAOYSA-N 2 0 328.504 3.164 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001161643807 1382468183 /nfs/dbraw/zinc/46/81/83/1382468183.db2.gz BOZMQWZHDDKJDQ-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161705501 1382486138 /nfs/dbraw/zinc/48/61/38/1382486138.db2.gz ULVDJBZJQLHKTE-ICSRJNTNSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001161750091 1382494889 /nfs/dbraw/zinc/49/48/89/1382494889.db2.gz WHZMTARXGLDYPA-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[NH+](C)Cc1ccnc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161828332 1382523050 /nfs/dbraw/zinc/52/30/50/1382523050.db2.gz WMLJSHAKBCJIPK-HXUWFJFHSA-N 2 0 342.462 3.435 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161924433 1382554019 /nfs/dbraw/zinc/55/40/19/1382554019.db2.gz CHFSCPHGACUQIP-HDICACEKSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947059 1382566080 /nfs/dbraw/zinc/56/60/80/1382566080.db2.gz VEXKHYCCXPEHBC-ARJAWSKDSA-N 2 0 347.547 3.357 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001161952969 1382568646 /nfs/dbraw/zinc/56/86/46/1382568646.db2.gz NHVMWDZPYHNWER-LYBXBRPPSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](C(C)C)CC1)[NH+]1CCCCC1 ZINC001161953561 1382569477 /nfs/dbraw/zinc/56/94/77/1382569477.db2.gz VKUSDVVBOBRHRZ-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001161952970 1382569934 /nfs/dbraw/zinc/56/99/34/1382569934.db2.gz NHVMWDZPYHNWER-UUKMXZOPSA-N 2 0 347.547 3.045 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nc(Cl)nc2c(Cl)cccc12 ZINC001162290120 1382722951 /nfs/dbraw/zinc/72/29/51/1382722951.db2.gz JTSLHJQRVFGSKR-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001162396927 1382747415 /nfs/dbraw/zinc/74/74/15/1382747415.db2.gz PTEWINGYDPGYJD-HLLBOEOZSA-N 2 0 327.476 3.033 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001162617496 1382810795 /nfs/dbraw/zinc/81/07/95/1382810795.db2.gz JQUQNXUKYZVIBY-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001162617375 1382811181 /nfs/dbraw/zinc/81/11/81/1382811181.db2.gz IOXCKHJRYWHSEU-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CCC(CC)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162919361 1382917166 /nfs/dbraw/zinc/91/71/66/1382917166.db2.gz QPBHTYCQWANSSA-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CC[NH2+]CCC(C)C)CCc1ccccc1 ZINC001162977145 1382934432 /nfs/dbraw/zinc/93/44/32/1382934432.db2.gz HERXULJUPBZNON-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP CC(C)(C)Oc1cc[nH+]c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163066904 1382959992 /nfs/dbraw/zinc/95/99/92/1382959992.db2.gz XZHSUEARKCPWRZ-OAHLLOKOSA-N 2 0 328.460 3.282 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]C/C=C\c2ccccc2)CCCC1 ZINC001163297684 1383014685 /nfs/dbraw/zinc/01/46/85/1383014685.db2.gz QNWMKVXKAJNISL-WQLSENKSSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]CC/C=C\c1ccccc1)[NH+]1CCCC1 ZINC001163852045 1383129454 /nfs/dbraw/zinc/12/94/54/1383129454.db2.gz XLMISEPRIFWSAC-MLPAPPSSSA-N 2 0 343.515 3.060 20 0 EGADRP CC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491242 1383192696 /nfs/dbraw/zinc/19/26/96/1383192696.db2.gz CSDDSWJFDRROIL-ZRHASKPBSA-N 2 0 335.536 3.236 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@H]([NH3+])C(F)(F)C2)nc1 ZINC001165127126 1383233486 /nfs/dbraw/zinc/23/34/86/1383233486.db2.gz CMYVZURXGJEJQV-HOTGVXAUSA-N 2 0 338.446 3.191 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001165244624 1383256424 /nfs/dbraw/zinc/25/64/24/1383256424.db2.gz TZJPBUKNVSKUEP-ICSRJNTNSA-N 2 0 328.504 3.208 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2occc2C[NH+](C)C)c1 ZINC001165246122 1383257038 /nfs/dbraw/zinc/25/70/38/1383257038.db2.gz LHMKKYFAVLDFKB-MRXNPFEDSA-N 2 0 343.471 3.120 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001165360522 1383281660 /nfs/dbraw/zinc/28/16/60/1383281660.db2.gz QUFHEPHIWCQTOZ-QGZVFWFLSA-N 2 0 339.911 3.229 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC001165794660 1383345660 /nfs/dbraw/zinc/34/56/60/1383345660.db2.gz ZYXVXGGNHGMDLH-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CCCC1)[NH+](C)C ZINC001328763465 1388848611 /nfs/dbraw/zinc/84/86/11/1388848611.db2.gz DWMDOUBQFFFTIS-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001165992815 1383374335 /nfs/dbraw/zinc/37/43/35/1383374335.db2.gz JSFWKAIKEQDLDU-UHFFFAOYSA-N 2 0 340.471 3.014 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001166009945 1383376447 /nfs/dbraw/zinc/37/64/47/1383376447.db2.gz DEPXMFGAKFXGFS-PKOBYXMFSA-N 2 0 333.520 3.047 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)Nc2c[nH+]ccc2NC(CC)CC)C1 ZINC001298610949 1383413536 /nfs/dbraw/zinc/41/35/36/1383413536.db2.gz WXSLAJOVPPHVCC-HNNXBMFYSA-N 2 0 332.492 3.165 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166403943 1383419027 /nfs/dbraw/zinc/41/90/27/1383419027.db2.gz QYIWVIVTWUUBLC-AATRIKPKSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001298638694 1383419232 /nfs/dbraw/zinc/41/92/32/1383419232.db2.gz FRHRVJMEUHAANE-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166803840 1383479636 /nfs/dbraw/zinc/47/96/36/1383479636.db2.gz YZGUMYWWKGMVHW-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166803838 1383479645 /nfs/dbraw/zinc/47/96/45/1383479645.db2.gz YZGUMYWWKGMVHW-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166843380 1383486487 /nfs/dbraw/zinc/48/64/87/1383486487.db2.gz RFBFZDJPNZZEHA-WMZOPIPTSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001166883157 1383493427 /nfs/dbraw/zinc/49/34/27/1383493427.db2.gz RIFPNHLEQMPAEC-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP c1ccc([C@H](CNc2ccnc(N3CCCC3)n2)[NH+]2CCCC2)cc1 ZINC001166888149 1383493965 /nfs/dbraw/zinc/49/39/65/1383493965.db2.gz DGWZQVIFKAFBBV-SFHVURJKSA-N 2 0 337.471 3.326 20 0 EGADRP c1ccc2c(c1)CN(c1cc(N3CCCC3)cc[nH+]1)CC21CC[NH2+]CC1 ZINC001167161087 1383555623 /nfs/dbraw/zinc/55/56/23/1383555623.db2.gz UQIACPFJTHABIE-UHFFFAOYSA-N 2 0 348.494 3.323 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167180342 1383560114 /nfs/dbraw/zinc/56/01/14/1383560114.db2.gz XYWBCLPHWOFHOX-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001167232441 1383571202 /nfs/dbraw/zinc/57/12/02/1383571202.db2.gz CPYAXXSXXPYEPD-GOSISDBHSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001167232855 1383571676 /nfs/dbraw/zinc/57/16/76/1383571676.db2.gz SDWXQEFJHFLLOB-GOSISDBHSA-N 2 0 347.547 3.095 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167236064 1383572021 /nfs/dbraw/zinc/57/20/21/1383572021.db2.gz GWWBGDYRTMOFGC-IEBWSBKVSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@H]([NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1)c1ccccc1 ZINC001167251656 1383576007 /nfs/dbraw/zinc/57/60/07/1383576007.db2.gz YMVWULRJIYAXHE-OALUTQOASA-N 2 0 345.531 3.354 20 0 EGADRP [NH3+]CC1(N(Cc2ccccc2)c2cccc(C3=[NH+]CCC3)c2)COC1 ZINC001167378644 1383616272 /nfs/dbraw/zinc/61/62/72/1383616272.db2.gz YSYAQJXXVJFHTO-UHFFFAOYSA-N 2 0 335.451 3.004 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385423 1383618725 /nfs/dbraw/zinc/61/87/25/1383618725.db2.gz CJYVTMYFZQNTJY-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001167426745 1383631180 /nfs/dbraw/zinc/63/11/80/1383631180.db2.gz YEDUVAFGDZTPFB-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001167470794 1383642571 /nfs/dbraw/zinc/64/25/71/1383642571.db2.gz BTEFXJXBNBMYQT-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001167480582 1383646446 /nfs/dbraw/zinc/64/64/46/1383646446.db2.gz MDSQZQRCBKPBFM-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP COc1cc2cccnc2c(N(c2c[nH+]cn2C)[C@H](C)CCC[NH3+])c1 ZINC001167610255 1383689120 /nfs/dbraw/zinc/68/91/20/1383689120.db2.gz DBERMTQDIQIPCG-CQSZACIVSA-N 2 0 339.443 3.242 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001167812211 1383746401 /nfs/dbraw/zinc/74/64/01/1383746401.db2.gz HRRLNUHDCHNAMQ-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001167824605 1383749756 /nfs/dbraw/zinc/74/97/56/1383749756.db2.gz POLHDMRIIHHTDD-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001167833334 1383753578 /nfs/dbraw/zinc/75/35/78/1383753578.db2.gz AMAXMNLFSLYHQS-FHWLQOOXSA-N 2 0 327.532 3.395 20 0 EGADRP CCOc1cccc(N2CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC2)n1 ZINC001167838085 1383755720 /nfs/dbraw/zinc/75/57/20/1383755720.db2.gz PNBLXLHZNFRXJZ-SFHVURJKSA-N 2 0 348.535 3.113 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC001167840347 1383756083 /nfs/dbraw/zinc/75/60/83/1383756083.db2.gz FHNXRGOJKSVLSU-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)n1nc(C(F)(F)F)c2c1C[NH2+]CC2 ZINC001167841848 1383756966 /nfs/dbraw/zinc/75/69/66/1383756966.db2.gz SIZAANJBTQCSSY-LBPRGKRZSA-N 2 0 332.414 3.231 20 0 EGADRP [NH2+]=C(Nc1ccc(NC(=O)Oc2ccccc2)cc1)SCC[NH3+] ZINC001167915411 1383769087 /nfs/dbraw/zinc/76/90/87/1383769087.db2.gz HBYDZXWFAHZVIP-UHFFFAOYSA-N 2 0 330.413 3.336 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CCC3CC3)C2)CC1 ZINC001328812018 1388877826 /nfs/dbraw/zinc/87/78/26/1388877826.db2.gz HPVPHLSAQWWFDR-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCOC(=O)CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963933 1383780460 /nfs/dbraw/zinc/78/04/60/1383780460.db2.gz ILWYATXMKLQNKL-YQQQUEKLSA-N 2 0 336.520 3.495 20 0 EGADRP Cn1c2ccccc2nc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963734 1383780773 /nfs/dbraw/zinc/78/07/73/1383780773.db2.gz CABOSZOZJVASFH-AYHJJNSGSA-N 2 0 338.499 3.111 20 0 EGADRP COC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CCCCC1 ZINC001167973071 1383782561 /nfs/dbraw/zinc/78/25/61/1383782561.db2.gz FKGCFWNIAAWFSZ-NXEWRWPSSA-N 2 0 348.531 3.493 20 0 EGADRP CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001943 1383792514 /nfs/dbraw/zinc/79/25/14/1383792514.db2.gz AKVISWRRJBEXKO-HTUJPFKRSA-N 2 0 348.531 3.446 20 0 EGADRP C[C@@H]1CC([NH2+]C[C@@H](O)c2ccncc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168035044 1383800968 /nfs/dbraw/zinc/80/09/68/1383800968.db2.gz SIRIOWDSXZRLDZ-CBGDNZLLSA-N 2 0 339.483 3.146 20 0 EGADRP CC[N@@H+]1CCCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039361 1383802640 /nfs/dbraw/zinc/80/26/40/1383802640.db2.gz DOLJOPRWWRCGCK-CEQLMSFQSA-N 2 0 329.532 3.456 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[NH+](C)C(C)(C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059485 1383806702 /nfs/dbraw/zinc/80/67/02/1383806702.db2.gz FYDFOFKOMPEJGJ-OPVJXMOQSA-N 2 0 329.532 3.454 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CCO[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC001168120343 1383821967 /nfs/dbraw/zinc/82/19/67/1383821967.db2.gz ZQLHINCTPQVSDU-IRXDYDNUSA-N 2 0 325.456 3.233 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(NC3(c4ccccn4)CC3)cc2)CC1 ZINC001168151696 1383827837 /nfs/dbraw/zinc/82/78/37/1383827837.db2.gz UOVVFYGEQLRYOV-UHFFFAOYSA-N 2 0 336.483 3.354 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001168162076 1383829469 /nfs/dbraw/zinc/82/94/69/1383829469.db2.gz DZHVVPOWOCIXFA-OALUTQOASA-N 2 0 349.563 3.175 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001168250589 1383853943 /nfs/dbraw/zinc/85/39/43/1383853943.db2.gz BMWSKALZWXZSLZ-FQEVSTJZSA-N 2 0 328.500 3.407 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001168290619 1383864462 /nfs/dbraw/zinc/86/44/62/1383864462.db2.gz SAAJJMPPCWOSCZ-UHFFFAOYSA-N 2 0 343.559 3.404 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCC3(CCC(=O)N3CC3CC3)CC2)CC1 ZINC001168294749 1383865901 /nfs/dbraw/zinc/86/59/01/1383865901.db2.gz FWXKXWNUOFLZMF-UHFFFAOYSA-N 2 0 347.547 3.163 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN(Cc3cccc(Cl)c3)C2)CC1 ZINC001168306079 1383868231 /nfs/dbraw/zinc/86/82/31/1383868231.db2.gz ZLWMKCQVDUVRGZ-XBMUEBEBSA-N 2 0 335.923 3.377 20 0 EGADRP C[NH+](C)C1CCC([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168312271 1383870633 /nfs/dbraw/zinc/87/06/33/1383870633.db2.gz NQCUHLPDBDSXNE-OFVLBHHSSA-N 3 0 330.520 3.026 20 0 EGADRP Cc1ccc2nc(C3CC[NH+](C4CCC([NH+](C)C)CC4)CC3)nn2c1 ZINC001168322798 1383872708 /nfs/dbraw/zinc/87/27/08/1383872708.db2.gz WNISCZZQQAUDJK-UHFFFAOYSA-N 2 0 341.503 3.090 20 0 EGADRP COC(=O)c1ccc([C@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168328843 1383874171 /nfs/dbraw/zinc/87/41/71/1383874171.db2.gz DAYBZRFEKPZHQE-CTWPCTMYSA-N 2 0 330.472 3.483 20 0 EGADRP COc1cccc2c1SC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168368797 1383885617 /nfs/dbraw/zinc/88/56/17/1383885617.db2.gz PNEYCBPHGWBYSH-QGZVFWFLSA-N 2 0 332.513 3.176 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168417075 1383901025 /nfs/dbraw/zinc/90/10/25/1383901025.db2.gz NUXXFLVRZGJHHY-SFHLNBCPSA-N 2 0 346.490 3.434 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168448759 1383908337 /nfs/dbraw/zinc/90/83/37/1383908337.db2.gz PUYVIQGKKVKSMK-IBGZPJMESA-N 2 0 325.431 3.209 20 0 EGADRP CC1CC(C[NH2+]CC2(CCNC(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001168454446 1383910536 /nfs/dbraw/zinc/91/05/36/1383910536.db2.gz HAPJYNXJPGQWOQ-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168454323 1383910631 /nfs/dbraw/zinc/91/06/31/1383910631.db2.gz FZWXGTPATJIAIB-SFHVURJKSA-N 2 0 337.552 3.175 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1C ZINC001168607479 1383946873 /nfs/dbraw/zinc/94/68/73/1383946873.db2.gz UHJAMBMABYAZGK-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CCC1CCCCC1)C(C)C ZINC001168666792 1383964719 /nfs/dbraw/zinc/96/47/19/1383964719.db2.gz MAJNDIMGOXJUJH-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001169100115 1384107510 /nfs/dbraw/zinc/10/75/10/1384107510.db2.gz GOERJAHMKBRGNU-QDMKHBRRSA-N 2 0 328.378 3.343 20 0 EGADRP COc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1C(C)(C)C ZINC001308193667 1384107657 /nfs/dbraw/zinc/10/76/57/1384107657.db2.gz LWPBIGTXXQBVIS-UHFFFAOYSA-N 2 0 347.547 3.108 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cc(F)cc(F)c3)CC1)C2 ZINC001169108894 1384108074 /nfs/dbraw/zinc/10/80/74/1384108074.db2.gz DZNSZUZTHCKZLS-ACDBMABISA-N 2 0 349.469 3.144 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(CC(=O)OC(C)(C)C)c1)C2 ZINC001169123106 1384110210 /nfs/dbraw/zinc/11/02/10/1384110210.db2.gz JDAQRRHWGGYCQB-LDLYASANSA-N 2 0 344.499 3.286 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129937 1384111071 /nfs/dbraw/zinc/11/10/71/1384111071.db2.gz MGMWMQWUGJWBJV-NHAYFPRASA-N 2 0 349.519 3.087 20 0 EGADRP C[NH+](C)CCCOc1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cn1 ZINC001169151411 1384115302 /nfs/dbraw/zinc/11/53/02/1384115302.db2.gz JHYCLDKTUPTZBY-FXAWDEMLSA-N 2 0 348.535 3.368 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001308344367 1384120465 /nfs/dbraw/zinc/12/04/65/1384120465.db2.gz GYTNQMADNNTNAB-JOCHJYFZSA-N 2 0 338.495 3.496 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2-n2nnc3ccccc32)CC1 ZINC001308340877 1384120710 /nfs/dbraw/zinc/12/07/10/1384120710.db2.gz CEDOBHTUIWVXNV-UHFFFAOYSA-N 2 0 349.482 3.242 20 0 EGADRP [NH3+]Cc1cccc2c1cnn2-c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001169193258 1384121533 /nfs/dbraw/zinc/12/15/33/1384121533.db2.gz WTTGGVQZTWZZNJ-UHFFFAOYSA-N 2 0 332.451 3.052 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001308745033 1384146977 /nfs/dbraw/zinc/14/69/77/1384146977.db2.gz PFSQMDBQKHEAGH-MRXNPFEDSA-N 2 0 329.529 3.057 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001169457866 1384150088 /nfs/dbraw/zinc/15/00/88/1384150088.db2.gz XPDIVUFNJMMLHO-MSOLQXFVSA-N 2 0 335.536 3.044 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC001308970412 1384163134 /nfs/dbraw/zinc/16/31/34/1384163134.db2.gz KDUXDRZDHCZASU-QGZVFWFLSA-N 2 0 339.524 3.240 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001169647275 1384168377 /nfs/dbraw/zinc/16/83/77/1384168377.db2.gz ZJGSMNAEBUPZAB-RBUKOAKNSA-N 2 0 347.503 3.280 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+]C2CCC([NH+](CC)CC)CC2)CC1 ZINC001169665024 1384170549 /nfs/dbraw/zinc/17/05/49/1384170549.db2.gz VHHBBEQCOVFVDT-WWDZGPRUSA-N 2 0 339.524 3.240 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729708 1384179824 /nfs/dbraw/zinc/17/98/24/1384179824.db2.gz UYRFALPFLFMYTN-AZUAARDMSA-N 2 0 343.515 3.145 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)CC(C)(C)CC[NH3+] ZINC001169749275 1384182315 /nfs/dbraw/zinc/18/23/15/1384182315.db2.gz VETVBDUUCHVSEX-IEBWSBKVSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001169959473 1384205018 /nfs/dbraw/zinc/20/50/18/1384205018.db2.gz WZEOMHIUHXPDRS-MRXNPFEDSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1cc(N(C)C(C)(C)C[NH3+])nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001170052132 1384225432 /nfs/dbraw/zinc/22/54/32/1384225432.db2.gz IGUGMPRWUNNUNL-UHFFFAOYSA-N 2 0 338.499 3.122 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccnc(N3CCCCC3)c2)CC1 ZINC001311247018 1384270005 /nfs/dbraw/zinc/27/00/05/1384270005.db2.gz GVKWAGHBDALVAK-INIZCTEOSA-N 2 0 345.491 3.020 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H](CC)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001170456047 1384324092 /nfs/dbraw/zinc/32/40/92/1384324092.db2.gz NHICOGJUWCYFFN-KURKYZTESA-N 2 0 330.472 3.010 20 0 EGADRP CC1(C)[C@@H]2C[C@H]([NH2+]CC3(O)CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001170727286 1384373877 /nfs/dbraw/zinc/37/38/77/1384373877.db2.gz KTMPYVKPVHFOPU-REPLKXPHSA-N 2 0 328.500 3.038 20 0 EGADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4[C@@H](CCN4Cc4nccs4)C3)C[C@@H]21 ZINC001170752071 1384378745 /nfs/dbraw/zinc/37/87/45/1384378745.db2.gz UDBMTMTVYNPPOS-VIQHNZTISA-N 2 0 331.529 3.474 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170785462 1384384356 /nfs/dbraw/zinc/38/43/56/1384384356.db2.gz MNBKBMWKKXFFJQ-HKUYNNGSSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001170786012 1384385406 /nfs/dbraw/zinc/38/54/06/1384385406.db2.gz YZMBHKZTXKBVGK-LJQANCHMSA-N 2 0 349.494 3.076 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170830458 1384393732 /nfs/dbraw/zinc/39/37/32/1384393732.db2.gz WPZYZLGISPOWNI-FQEVSTJZSA-N 2 0 333.520 3.140 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCCC[NH2+]CC1CCCCC1)c1ccccc1 ZINC001170830549 1384393836 /nfs/dbraw/zinc/39/38/36/1384393836.db2.gz YPVBFUWELJDMPN-OAQYLSRUSA-N 2 0 345.531 3.140 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170854619 1384399458 /nfs/dbraw/zinc/39/94/58/1384399458.db2.gz RLNJSDCYOXSGBU-MRXNPFEDSA-N 2 0 339.321 3.484 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170870872 1384401930 /nfs/dbraw/zinc/40/19/30/1384401930.db2.gz LAALTLRYIITLPH-YQVWRLOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)Cc1cc(OC)ccc1N[C@@H]1C[C@H]2CC[N@H+](C1)[C@@H]2C ZINC001170980865 1384422739 /nfs/dbraw/zinc/42/27/39/1384422739.db2.gz TXDFVFOBHDYTQJ-JFIYKMOQSA-N 2 0 331.504 3.432 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171068833 1384440467 /nfs/dbraw/zinc/44/04/67/1384440467.db2.gz LFFQMILRIFKAOW-SJORKVTESA-N 2 0 331.520 3.121 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001171162105 1384458442 /nfs/dbraw/zinc/45/84/42/1384458442.db2.gz ULSVXPZXNUJCRF-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001171226660 1384473776 /nfs/dbraw/zinc/47/37/76/1384473776.db2.gz JBOHOUPBYQXSJM-MSOLQXFVSA-N 2 0 345.531 3.309 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246609 1384477678 /nfs/dbraw/zinc/47/76/78/1384477678.db2.gz GHWBALMWGNSKQP-FXAWDEMLSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171248492 1384478168 /nfs/dbraw/zinc/47/81/68/1384478168.db2.gz VWHBEAARXRDBCJ-OALUTQOASA-N 2 0 337.552 3.480 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248909 1384478443 /nfs/dbraw/zinc/47/84/43/1384478443.db2.gz YKKPTSIDXOSCMF-FXAWDEMLSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171248356 1384478448 /nfs/dbraw/zinc/47/84/48/1384478448.db2.gz TULRUSGHGXPWSR-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP [NH3+]CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171250037 1384478914 /nfs/dbraw/zinc/47/89/14/1384478914.db2.gz OIRJGCGTVFZULT-IHWFROFDSA-N 2 0 343.515 3.321 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248955 1384478920 /nfs/dbraw/zinc/47/89/20/1384478920.db2.gz ZHWSPRFNRKQZFU-QFBILLFUSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253326 1384479440 /nfs/dbraw/zinc/47/94/40/1384479440.db2.gz CBHXINAOHGCGOH-INIZCTEOSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254463 1384479709 /nfs/dbraw/zinc/47/97/09/1384479709.db2.gz RMBZJJJVKJQUGG-ZWKOTPCHSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171328425 1384495664 /nfs/dbraw/zinc/49/56/64/1384495664.db2.gz JEZFHPFBCYVCRN-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001171499732 1384543186 /nfs/dbraw/zinc/54/31/86/1384543186.db2.gz GKCXUKMLLCZTDU-FCEBOWQDSA-N 2 0 345.531 3.305 20 0 EGADRP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC001171511553 1384547515 /nfs/dbraw/zinc/54/75/15/1384547515.db2.gz ILHZRORSFRUXAU-CQSZACIVSA-N 2 0 326.406 3.427 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171538911 1384556311 /nfs/dbraw/zinc/55/63/11/1384556311.db2.gz PPWGQYAYDORALD-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001171578787 1384570541 /nfs/dbraw/zinc/57/05/41/1384570541.db2.gz IQESAPJETVNLQT-UHFFFAOYSA-N 2 0 347.528 3.229 20 0 EGADRP COC1CC[NH+](C2CC[NH+]([C@H]3CCc4c(C)cccc4C3)CC2)CC1 ZINC001171580246 1384571294 /nfs/dbraw/zinc/57/12/94/1384571294.db2.gz UIMWKSLWAIIUDI-FQEVSTJZSA-N 2 0 342.527 3.428 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586260 1384572203 /nfs/dbraw/zinc/57/22/03/1384572203.db2.gz KMROLQQZQMHZTN-DOOKAGJSSA-N 2 0 325.541 3.338 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001171586821 1384572836 /nfs/dbraw/zinc/57/28/36/1384572836.db2.gz UDZKOWYJIRIEMR-KRWDZBQOSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001329024511 1388934098 /nfs/dbraw/zinc/93/40/98/1388934098.db2.gz PHKGDCJJONCMAR-HRAATJIYSA-N 2 0 341.474 3.343 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618888 1384581754 /nfs/dbraw/zinc/58/17/54/1384581754.db2.gz NMRDBKICLLSRCR-GOSISDBHSA-N 2 0 346.519 3.139 20 0 EGADRP Cc1c(C(=O)N[C@H](C)CCCC[NH2+]CC[C@H](C)F)ccc2c[nH+]cn21 ZINC001171629346 1384585637 /nfs/dbraw/zinc/58/56/37/1384585637.db2.gz LXKLBMBNFSQQJB-LSDHHAIUSA-N 2 0 348.466 3.269 20 0 EGADRP COC(=O)Cc1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171631106 1384586472 /nfs/dbraw/zinc/58/64/72/1384586472.db2.gz WEZIKVIDVHDYHL-UHFFFAOYSA-N 2 0 332.488 3.143 20 0 EGADRP Cc1cnc(O[C@@H]2CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)nc1 ZINC001171640589 1384590172 /nfs/dbraw/zinc/59/01/72/1384590172.db2.gz GRPWDYBIACFAFC-QGZVFWFLSA-N 2 0 346.519 3.280 20 0 EGADRP C[NH+]1C(C)(C)CC(N(c2ccccn2)C2CC[NH2+]CC2)CC1(C)C ZINC001171642194 1384590405 /nfs/dbraw/zinc/59/04/05/1384590405.db2.gz ZDHLINKZTHILGA-UHFFFAOYSA-N 2 0 330.520 3.291 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171692252 1384604165 /nfs/dbraw/zinc/60/41/65/1384604165.db2.gz VRSHFAQYYGCJGT-MRXNPFEDSA-N 2 0 330.476 3.259 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CN1Cc1ccccc1 ZINC001171739741 1384621783 /nfs/dbraw/zinc/62/17/83/1384621783.db2.gz GARXYAASIQKNIJ-NRSPTQNISA-N 2 0 329.532 3.490 20 0 EGADRP Fc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001171780217 1384633865 /nfs/dbraw/zinc/63/38/65/1384633865.db2.gz GJLWZNDITDXZJZ-LJQANCHMSA-N 2 0 346.490 3.021 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccn3)CC1)C2 ZINC001171784836 1384635534 /nfs/dbraw/zinc/63/55/34/1384635534.db2.gz IIPXDRFGOQEBGE-IBGZPJMESA-N 2 0 339.458 3.190 20 0 EGADRP Cc1cncn1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCCC1 ZINC001171817394 1384649280 /nfs/dbraw/zinc/64/92/80/1384649280.db2.gz VKWMBEQQLNHBDH-QGZVFWFLSA-N 2 0 348.535 3.427 20 0 EGADRP C[N@H+](C1CC1)C1CC[NH+](C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171929249 1384685107 /nfs/dbraw/zinc/68/51/07/1384685107.db2.gz BIGJNBRTCKMIRL-UHFFFAOYSA-N 2 0 336.520 3.446 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929063 1384685448 /nfs/dbraw/zinc/68/54/48/1384685448.db2.gz DJTYALMJSHGOHG-IAGOWNOFSA-N 2 0 343.531 3.264 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171930409 1384685896 /nfs/dbraw/zinc/68/58/96/1384685896.db2.gz OUOPKNCOEQUBEP-GOSISDBHSA-N 2 0 337.552 3.482 20 0 EGADRP CCOC(=O)C1(C)CCC(n2cc(CC[NH3+])c3c[nH+]ccc32)CC1 ZINC001171944269 1384691649 /nfs/dbraw/zinc/69/16/49/1384691649.db2.gz LZYQWLJJNBAZJP-UHFFFAOYSA-N 2 0 329.444 3.222 20 0 EGADRP CC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)OCCO1 ZINC001171971894 1384699901 /nfs/dbraw/zinc/69/99/01/1384699901.db2.gz KZOPHVRFUZSGFX-SFHVURJKSA-N 2 0 332.488 3.172 20 0 EGADRP CC(C)N1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC001171977327 1384702345 /nfs/dbraw/zinc/70/23/45/1384702345.db2.gz AVBKUFGGPLBVJC-RTBURBONSA-N 2 0 343.515 3.029 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001316933716 1384704654 /nfs/dbraw/zinc/70/46/54/1384704654.db2.gz KJOYSCNUJDTLOM-FQEVSTJZSA-N 2 0 345.531 3.004 20 0 EGADRP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988234 1384705016 /nfs/dbraw/zinc/70/50/16/1384705016.db2.gz PMUOKKNBKARVCU-UXHICEINSA-N 2 0 329.532 3.456 20 0 EGADRP CN1CC[C@H]2C[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988045 1384706490 /nfs/dbraw/zinc/70/64/90/1384706490.db2.gz ODUWRYREXXRGHS-SLFFLAALSA-N 2 0 327.516 3.066 20 0 EGADRP CCN1CC[C@H]([N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172040495 1384712149 /nfs/dbraw/zinc/71/21/49/1384712149.db2.gz XRSWAHKGZNVQTP-UFYCRDLUSA-N 2 0 343.515 3.078 20 0 EGADRP COC(C)(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC001172076650 1384720958 /nfs/dbraw/zinc/72/09/58/1384720958.db2.gz KCUAEZISLVBSEC-LDLYASANSA-N 2 0 332.488 3.171 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001316951442 1384725702 /nfs/dbraw/zinc/72/57/02/1384725702.db2.gz JTOZFWSPODUIGO-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001172100228 1384726578 /nfs/dbraw/zinc/72/65/78/1384726578.db2.gz BOUDGGDYKJLJGT-BURNTYAHSA-N 2 0 327.516 3.428 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117523 1384732220 /nfs/dbraw/zinc/73/22/20/1384732220.db2.gz HLIIAQNITWTFNV-FLXSYLCISA-N 2 0 349.519 3.085 20 0 EGADRP COc1cccc(C[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172223378 1384751259 /nfs/dbraw/zinc/75/12/59/1384751259.db2.gz SZTGOOOOIFUSEF-IODSQDMPSA-N 2 0 344.499 3.477 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3COC(C)(C)C3)CC2)c2ccccc2[nH+]1 ZINC001172284087 1384759230 /nfs/dbraw/zinc/75/92/30/1384759230.db2.gz OOVMEPRMQRROTN-MRXNPFEDSA-N 2 0 325.456 3.233 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001172350404 1384775880 /nfs/dbraw/zinc/77/58/80/1384775880.db2.gz YEJZGKSCCUYUNG-SJORKVTESA-N 2 0 326.525 3.155 20 0 EGADRP CC(C)COCC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001172465723 1384798804 /nfs/dbraw/zinc/79/88/04/1384798804.db2.gz XPICVTLIQSBHOV-IBGZPJMESA-N 2 0 348.531 3.054 20 0 EGADRP CCCC[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172622760 1384820660 /nfs/dbraw/zinc/82/06/60/1384820660.db2.gz NNSDQPRDUVIPOS-IRXDYDNUSA-N 2 0 341.540 3.486 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001172621759 1384820887 /nfs/dbraw/zinc/82/08/87/1384820887.db2.gz GKEIUDNTTUAJIG-QZTJIDSGSA-N 2 0 334.504 3.059 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172652308 1384826562 /nfs/dbraw/zinc/82/65/62/1384826562.db2.gz OZULPIQYYWTPQM-UHFFFAOYSA-N 2 0 327.557 3.198 20 0 EGADRP O=C1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001172683901 1384833298 /nfs/dbraw/zinc/83/32/98/1384833298.db2.gz TVUBEONVHZETOH-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172717154 1384836202 /nfs/dbraw/zinc/83/62/02/1384836202.db2.gz QLNKGMLGKQAUIN-KRWDZBQOSA-N 2 0 337.939 3.283 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001172769111 1384847523 /nfs/dbraw/zinc/84/75/23/1384847523.db2.gz AHGTWEKBQIXNBO-RBUKOAKNSA-N 2 0 332.488 3.002 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172959999 1384890745 /nfs/dbraw/zinc/89/07/45/1384890745.db2.gz JKMICOWRYODYFA-BZUAXINKSA-N 2 0 327.513 3.094 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173055168 1384902721 /nfs/dbraw/zinc/90/27/21/1384902721.db2.gz RKUGXTVUOYSJPD-SJORKVTESA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054903 1384902905 /nfs/dbraw/zinc/90/29/05/1384902905.db2.gz QNUBXIGVAPDXBZ-IAGOWNOFSA-N 2 0 341.540 3.486 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001317145075 1384913370 /nfs/dbraw/zinc/91/33/70/1384913370.db2.gz WVDWIWAUKNUXBZ-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3ccccc3NC2=O)CC1 ZINC001173102901 1384915072 /nfs/dbraw/zinc/91/50/72/1384915072.db2.gz CVAFOJDBHZOBHJ-FAFZWHIHSA-N 2 0 329.488 3.183 20 0 EGADRP CCOC(=O)c1cccc(C[NH2+]C2CCC([NH+](CC)CC)CC2)n1 ZINC001173104452 1384915783 /nfs/dbraw/zinc/91/57/83/1384915783.db2.gz PNBYTGWOPSAKOP-UHFFFAOYSA-N 2 0 333.476 3.001 20 0 EGADRP CCOC[C@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2cnn(C)c21 ZINC001173109116 1384916418 /nfs/dbraw/zinc/91/64/18/1384916418.db2.gz GHNUJOMDIIIGLE-LMDPOFIKSA-N 2 0 348.535 3.009 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(N3CCCCC3=O)CC2)CC1 ZINC001173113071 1384917863 /nfs/dbraw/zinc/91/78/63/1384917863.db2.gz HTHHSHJWZMLDRU-UHFFFAOYSA-N 2 0 335.536 3.116 20 0 EGADRP CCC(CC)[NH+]1CCC([NH2+][C@H]2COc3cccc(OC)c3C2)CC1 ZINC001173149867 1384924612 /nfs/dbraw/zinc/92/46/12/1384924612.db2.gz JHSZGHKGCQJDTR-MRXNPFEDSA-N 2 0 332.488 3.241 20 0 EGADRP CCC(CC)[NH+]1CCC(C[NH2+][C@H]2COc3cccc(OC)c3C2)CC1 ZINC001173150226 1384924649 /nfs/dbraw/zinc/92/46/49/1384924649.db2.gz KMEQQJCIABZPGL-QGZVFWFLSA-N 2 0 346.515 3.489 20 0 EGADRP COc1cccc2c1C[C@@H]([N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173162806 1384927810 /nfs/dbraw/zinc/92/78/10/1384927810.db2.gz ZANBEJCNXCDAJB-DJIMGWMZSA-N 2 0 330.472 3.123 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001173445579 1384971794 /nfs/dbraw/zinc/97/17/94/1384971794.db2.gz MHOIZTGSLWNYBX-QGZVFWFLSA-N 2 0 347.503 3.005 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CC2 ZINC001173606074 1384987140 /nfs/dbraw/zinc/98/71/40/1384987140.db2.gz OCIVJQQZTFUACU-HMFCVHIJSA-N 2 0 338.536 3.489 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCCC[C@H](CCC[NH3+])C1)CC2 ZINC001173613981 1384988515 /nfs/dbraw/zinc/98/85/15/1384988515.db2.gz MLFMJVFMODQGIJ-BOHSKOPMSA-N 2 0 336.520 3.339 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001173613938 1384988725 /nfs/dbraw/zinc/98/87/25/1384988725.db2.gz LQFOBMHAENCUHG-KGXSXCIVSA-N 2 0 334.504 3.059 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001317217864 1384998189 /nfs/dbraw/zinc/99/81/89/1384998189.db2.gz LIHXMGRFTHULMT-AOCRQIFASA-N 2 0 337.552 3.314 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)C1 ZINC001173664981 1384999645 /nfs/dbraw/zinc/99/96/45/1384999645.db2.gz QMSYBTCKUACIPY-AEFFLSMTSA-N 2 0 345.487 3.070 20 0 EGADRP [NH3+]CCCCN1CC[NH+](C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173685594 1385004561 /nfs/dbraw/zinc/00/45/61/1385004561.db2.gz DPAHJEUYHHTGQC-UHFFFAOYSA-N 2 0 341.543 3.170 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC001173710295 1385006059 /nfs/dbraw/zinc/00/60/59/1385006059.db2.gz WIEVTFVZJVIOAR-MRXNPFEDSA-N 2 0 340.467 3.256 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(CC3CCC3)CC2)cc1 ZINC001173715710 1385007698 /nfs/dbraw/zinc/00/76/98/1385007698.db2.gz WXEWUMCWPUOLFN-MRXNPFEDSA-N 2 0 344.499 3.388 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649174 1385130001 /nfs/dbraw/zinc/13/00/01/1385130001.db2.gz ARUYWMKREMIDMZ-KRWDZBQOSA-N 2 0 343.531 3.265 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)C1 ZINC001174880774 1385164058 /nfs/dbraw/zinc/16/40/58/1385164058.db2.gz HEWBUMXLQALGEJ-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880751 1385164105 /nfs/dbraw/zinc/16/41/05/1385164105.db2.gz GVYHYIFMWAJRPD-PXNSSMCTSA-N 2 0 349.563 3.458 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906728 1385168663 /nfs/dbraw/zinc/16/86/63/1385168663.db2.gz WWMBDNJCDBKXIL-NEPBSLMDSA-N 2 0 337.552 3.338 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174961095 1385174789 /nfs/dbraw/zinc/17/47/89/1385174789.db2.gz JVGGFFJBHUYVIW-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)CC[NH+](C)C ZINC001175048974 1385186055 /nfs/dbraw/zinc/18/60/55/1385186055.db2.gz MYGQSDONOSSKBL-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H]([NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1ccccc1 ZINC001175047639 1385186134 /nfs/dbraw/zinc/18/61/34/1385186134.db2.gz ABWJAXXAYRLOKD-HKUYNNGSSA-N 2 0 333.520 3.354 20 0 EGADRP C[C@H](CCCC[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CC[NH+](C)C ZINC001175048828 1385186160 /nfs/dbraw/zinc/18/61/60/1385186160.db2.gz LABWVIQBCHMONJ-CVEARBPZSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)CC[NH+](C)C ZINC001175049310 1385186342 /nfs/dbraw/zinc/18/63/42/1385186342.db2.gz SQVXJIKDHVGSLR-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCOc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1F ZINC001175067606 1385189198 /nfs/dbraw/zinc/18/91/98/1385189198.db2.gz YFBFEYYXZVHJBB-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255884 1385231113 /nfs/dbraw/zinc/23/11/13/1385231113.db2.gz IMXLZFUULIENLQ-IAGOWNOFSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262113 1385232655 /nfs/dbraw/zinc/23/26/55/1385232655.db2.gz AZJDRKHCHNNWNI-RBUKOAKNSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262650 1385233483 /nfs/dbraw/zinc/23/34/83/1385233483.db2.gz JCGJJWAJRHKBMM-ZWKOTPCHSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175265030 1385234286 /nfs/dbraw/zinc/23/42/86/1385234286.db2.gz WTRMLHLRKWTTGA-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273800 1385237841 /nfs/dbraw/zinc/23/78/41/1385237841.db2.gz WOPRCKZYXVTMEJ-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295609 1385242539 /nfs/dbraw/zinc/24/25/39/1385242539.db2.gz HLZRHDMZMFOILN-IAGOWNOFSA-N 2 0 327.557 3.275 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1F ZINC001317544681 1385289917 /nfs/dbraw/zinc/28/99/17/1385289917.db2.gz AQLYJSUNPQPXOC-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001175582136 1385339653 /nfs/dbraw/zinc/33/96/53/1385339653.db2.gz YOPUUOYITAGHJK-TVRKMHQQSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001317623132 1385358488 /nfs/dbraw/zinc/35/84/88/1385358488.db2.gz LCBPKZHXNAINCH-UXHICEINSA-N 2 0 345.531 3.308 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001175769303 1385399832 /nfs/dbraw/zinc/39/98/32/1385399832.db2.gz QCIQZZWBWBRURV-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001176111413 1385486691 /nfs/dbraw/zinc/48/66/91/1385486691.db2.gz HQSTXLOKLJCQTR-ZWKOTPCHSA-N 2 0 325.541 3.314 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176111065 1385487069 /nfs/dbraw/zinc/48/70/69/1385487069.db2.gz FPWJMDXIFNHPSL-WIYYLYMNSA-N 2 0 347.547 3.384 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176193074 1385508300 /nfs/dbraw/zinc/50/83/00/1385508300.db2.gz RMMTUWJGKIVBCR-QZTJIDSGSA-N 2 0 343.515 3.108 20 0 EGADRP CC[C@@H](C(=O)N(Cc1ccccc1)[C@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001317865439 1385549527 /nfs/dbraw/zinc/54/95/27/1385549527.db2.gz KXLJEZQXVJWEHN-PMACEKPBSA-N 2 0 345.531 3.228 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccccc2C[NH+](C)C)cn1 ZINC001176360691 1385564340 /nfs/dbraw/zinc/56/43/40/1385564340.db2.gz XHPDVZKEVGIEGB-UHFFFAOYSA-N 2 0 328.460 3.217 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001176573536 1385629110 /nfs/dbraw/zinc/62/91/10/1385629110.db2.gz NAADJAOJHYWKMV-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629380 1385643290 /nfs/dbraw/zinc/64/32/90/1385643290.db2.gz WPIBJFIHENNYNH-NLZINVLXSA-N 2 0 343.943 3.270 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300969 1385645530 /nfs/dbraw/zinc/64/55/30/1385645530.db2.gz IJBSZAGMALDQBF-OBNUAKFSSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001318301759 1385646019 /nfs/dbraw/zinc/64/60/19/1385646019.db2.gz UWPVISWNNKOWCQ-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753661 1385684407 /nfs/dbraw/zinc/68/44/07/1385684407.db2.gz JPEFAHBZMIHJJI-RTBURBONSA-N 2 0 337.552 3.338 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001176754672 1385684942 /nfs/dbraw/zinc/68/49/42/1385684942.db2.gz XTPNJVPPZCWITO-GOSISDBHSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001176805475 1385707932 /nfs/dbraw/zinc/70/79/32/1385707932.db2.gz JBQFYXBTQQVTEJ-MRXNPFEDSA-N 2 0 337.508 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001176986423 1385764254 /nfs/dbraw/zinc/76/42/54/1385764254.db2.gz NWBMDBZCSGXVNL-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001176991457 1385765981 /nfs/dbraw/zinc/76/59/81/1385765981.db2.gz BTXHYKONNWIJLK-VQTJNVASSA-N 2 0 345.531 3.354 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccc(F)cc1 ZINC001176992662 1385767484 /nfs/dbraw/zinc/76/74/84/1385767484.db2.gz WZQLUXVWNWFORP-RBUKOAKNSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC001176999295 1385769240 /nfs/dbraw/zinc/76/92/40/1385769240.db2.gz ULNOTBXNSUXLFO-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177266339 1385889772 /nfs/dbraw/zinc/88/97/72/1385889772.db2.gz DWLZULNUUCRBOT-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177267815 1385890443 /nfs/dbraw/zinc/89/04/43/1385890443.db2.gz YVZNJZHYFHONMK-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001177349110 1385924473 /nfs/dbraw/zinc/92/44/73/1385924473.db2.gz YIAYQQNQVAILPQ-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(NCCC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001319021018 1385931272 /nfs/dbraw/zinc/93/12/72/1385931272.db2.gz QVNCCWJJSJOPMC-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)C1 ZINC001177415579 1385948842 /nfs/dbraw/zinc/94/88/42/1385948842.db2.gz DBUTZEHPVKUXJA-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001177440144 1385957673 /nfs/dbraw/zinc/95/76/73/1385957673.db2.gz AFFBSYMLVZIBEC-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001177440154 1385957702 /nfs/dbraw/zinc/95/77/02/1385957702.db2.gz BDRRQTRDTRHHPW-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177485080 1385975097 /nfs/dbraw/zinc/97/50/97/1385975097.db2.gz QIQRCZPSXMQBFL-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)CC1 ZINC001319290252 1386046168 /nfs/dbraw/zinc/04/61/68/1386046168.db2.gz OMFNUMYMVBLDAN-QFIPXVFZSA-N 2 0 335.495 3.211 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CCCC1)[NH+](C)C ZINC001319361625 1386078531 /nfs/dbraw/zinc/07/85/31/1386078531.db2.gz JLPBYAQCGDCRFL-IEBWSBKVSA-N 2 0 345.531 3.415 20 0 EGADRP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1)c1ccccc1 ZINC001319368835 1386084696 /nfs/dbraw/zinc/08/46/96/1386084696.db2.gz JQUUCVUCCURJII-RBUKOAKNSA-N 2 0 343.515 3.251 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001177948067 1386092508 /nfs/dbraw/zinc/09/25/08/1386092508.db2.gz FBFBSFHRSSMFLK-INIZCTEOSA-N 2 0 329.488 3.400 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+][C@@H](C)c2cccc(C)c2)CCCC1)[NH+](C)C ZINC001698631743 1406275499 /nfs/dbraw/zinc/27/54/99/1406275499.db2.gz SUHCAOAEFMDZAU-PKOBYXMFSA-N 2 0 345.531 3.415 20 0 EGADRP Cc1cc(F)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001178291591 1386181792 /nfs/dbraw/zinc/18/17/92/1386181792.db2.gz ZJUFPNOMGOUREW-OAQYLSRUSA-N 2 0 342.458 3.381 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001698635141 1406280136 /nfs/dbraw/zinc/28/01/36/1406280136.db2.gz ZBEXMCWFKWVWFA-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483586 1386231346 /nfs/dbraw/zinc/23/13/46/1386231346.db2.gz FMELDVWFWLPEQP-RTBURBONSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001178528305 1386241975 /nfs/dbraw/zinc/24/19/75/1386241975.db2.gz VJVOGONQDZFLHT-VQTJNVASSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001178688534 1386277731 /nfs/dbraw/zinc/27/77/31/1386277731.db2.gz LNPZXKQYZFIYIE-IBGZPJMESA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688256 1386277873 /nfs/dbraw/zinc/27/78/73/1386277873.db2.gz JCBFESDAEHWIEW-LJQANCHMSA-N 2 0 337.552 3.197 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001178693176 1386279768 /nfs/dbraw/zinc/27/97/68/1386279768.db2.gz JRHWGEWLIYIYAL-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001178702388 1386282952 /nfs/dbraw/zinc/28/29/52/1386282952.db2.gz NTRNZHRHGDRIGJ-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178728721 1386290942 /nfs/dbraw/zinc/29/09/42/1386290942.db2.gz CBLXKNDPZKYTAO-MSOLQXFVSA-N 2 0 325.541 3.173 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178832106 1386321412 /nfs/dbraw/zinc/32/14/12/1386321412.db2.gz DNVRLOWERWCPTN-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001319828138 1386321465 /nfs/dbraw/zinc/32/14/65/1386321465.db2.gz UBOHRDHUUJCFQB-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CCC(CC)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001320009623 1386451276 /nfs/dbraw/zinc/45/12/76/1386451276.db2.gz VNNWHVCDYZMUFC-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C)C1 ZINC001179388490 1386471241 /nfs/dbraw/zinc/47/12/41/1386471241.db2.gz JLQUYJRVVZHZFF-KSZLIROESA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388776 1386472250 /nfs/dbraw/zinc/47/22/50/1386472250.db2.gz QVFKZZLIAARWBU-HBCQFFLPSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179395266 1386474006 /nfs/dbraw/zinc/47/40/06/1386474006.db2.gz HOHSYKOZCNDSTL-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179399950 1386474966 /nfs/dbraw/zinc/47/49/66/1386474966.db2.gz HSPAWHLDRFDIPE-SREVYHEPSA-N 2 0 325.541 3.341 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)c(C)c1 ZINC001179403514 1386476599 /nfs/dbraw/zinc/47/65/99/1386476599.db2.gz POVZDAZHHQRMHX-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)CCC[NH+](C)C)c1ccccc1 ZINC001179403925 1386477529 /nfs/dbraw/zinc/47/75/29/1386477529.db2.gz YGTYPEOLXQIXMK-SFHVURJKSA-N 2 0 333.520 3.356 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439411 1386484089 /nfs/dbraw/zinc/48/40/89/1386484089.db2.gz NXVVOFBRIZOMKQ-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001179499527 1386500214 /nfs/dbraw/zinc/50/02/14/1386500214.db2.gz UTTUSOOEIKYABM-QGZVFWFLSA-N 2 0 339.549 3.101 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179585485 1386523968 /nfs/dbraw/zinc/52/39/68/1386523968.db2.gz IXOMHXIWGBSBOD-OXUXSNCKSA-N 2 0 337.552 3.197 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179591223 1386526034 /nfs/dbraw/zinc/52/60/34/1386526034.db2.gz PZHBIVSNSYYDAC-MJGOQNOKSA-N 2 0 337.552 3.031 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179592818 1386526537 /nfs/dbraw/zinc/52/65/37/1386526537.db2.gz PZPROEGGUHUEDE-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001179609274 1386530405 /nfs/dbraw/zinc/53/04/05/1386530405.db2.gz LWHMVPFHIKHSER-FQEVSTJZSA-N 2 0 347.547 3.410 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001320155519 1386539607 /nfs/dbraw/zinc/53/96/07/1386539607.db2.gz SYXDJOKJHFSNKQ-UXHICEINSA-N 2 0 345.531 3.020 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001179719359 1386564130 /nfs/dbraw/zinc/56/41/30/1386564130.db2.gz CQGIQVJDWXLTLI-DGKOWBFYSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788305 1386586451 /nfs/dbraw/zinc/58/64/51/1386586451.db2.gz VHGSCWZAQASJFO-MOPGFXCFSA-N 2 0 335.536 3.236 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H]1C ZINC001179861177 1386610263 /nfs/dbraw/zinc/61/02/63/1386610263.db2.gz ONZCMZJHRVBTKM-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179897628 1386621953 /nfs/dbraw/zinc/62/19/53/1386621953.db2.gz POWLVIALXNBLAZ-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001179972251 1386653852 /nfs/dbraw/zinc/65/38/52/1386653852.db2.gz KMASSWZLLXIXRN-LNLFQRSKSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001179989221 1386659774 /nfs/dbraw/zinc/65/97/74/1386659774.db2.gz VAUFZSYTOBRRGG-QRVBRYPASA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001180035915 1386676285 /nfs/dbraw/zinc/67/62/85/1386676285.db2.gz ZGTWDTQXJNMKEV-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065534 1386685475 /nfs/dbraw/zinc/68/54/75/1386685475.db2.gz REJOINRFNQAEEF-MOPGFXCFSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068762 1386687139 /nfs/dbraw/zinc/68/71/39/1386687139.db2.gz OBZCCAMKNNAIEA-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CCc1ccc(C)cc1 ZINC001180123228 1386703639 /nfs/dbraw/zinc/70/36/39/1386703639.db2.gz BNQHVYURNWJHMV-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP CC[C@@H]([NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001320756560 1386710330 /nfs/dbraw/zinc/71/03/30/1386710330.db2.gz OIHUKGHBHIJSQN-GOSISDBHSA-N 2 0 349.494 3.199 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001180142376 1386711931 /nfs/dbraw/zinc/71/19/31/1386711931.db2.gz NYWYBLIAAXNHMC-MOPGFXCFSA-N 2 0 329.532 3.313 20 0 EGADRP C[C@H]1CCCC[C@@]1(C[NH2+]Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001698662846 1406313756 /nfs/dbraw/zinc/31/37/56/1406313756.db2.gz NLKDAHCPABDDJJ-RXVVDRJESA-N 2 0 345.531 3.183 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180156816 1386717209 /nfs/dbraw/zinc/71/72/09/1386717209.db2.gz HNMITLFDENBCLG-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C)c1ccccc1 ZINC001180226672 1386738914 /nfs/dbraw/zinc/73/89/14/1386738914.db2.gz GBKICRNZEUIDBP-UHOSZYNNSA-N 2 0 331.504 3.057 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)c1 ZINC001180278892 1386753489 /nfs/dbraw/zinc/75/34/89/1386753489.db2.gz SJCSHPRHDRKSNW-IBGZPJMESA-N 2 0 345.531 3.418 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCCCCC[NH2+]C/C=C/Cl ZINC001180294573 1386758405 /nfs/dbraw/zinc/75/84/05/1386758405.db2.gz MZPNWQQHYJBCHR-PKNBQFBNSA-N 2 0 343.943 3.271 20 0 EGADRP CCc1ccc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001180369493 1386775743 /nfs/dbraw/zinc/77/57/43/1386775743.db2.gz ISPONDRBYAVAQH-UHFFFAOYSA-N 2 0 347.547 3.355 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001180369404 1386775935 /nfs/dbraw/zinc/77/59/35/1386775935.db2.gz DCNGPKXUYRBKEC-INIZCTEOSA-N 2 0 347.494 3.028 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180372583 1386777832 /nfs/dbraw/zinc/77/78/32/1386777832.db2.gz DAAQTXQHRNOOTK-OALUTQOASA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H](F)CC[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180452190 1386800820 /nfs/dbraw/zinc/80/08/20/1386800820.db2.gz PRNXUPBAVIILNJ-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC001321267832 1386860808 /nfs/dbraw/zinc/86/08/08/1386860808.db2.gz KYPBORRPALYNON-HKUYNNGSSA-N 2 0 333.495 3.446 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736311 1387048257 /nfs/dbraw/zinc/04/82/57/1387048257.db2.gz LRJLIQMKCCICSX-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001322127720 1387066505 /nfs/dbraw/zinc/06/65/05/1387066505.db2.gz SWFXDEDMYUACRF-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCC1CCCC1 ZINC001181903408 1387073533 /nfs/dbraw/zinc/07/35/33/1387073533.db2.gz HXMGNGAQVWOCFS-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322267938 1387128622 /nfs/dbraw/zinc/12/86/22/1387128622.db2.gz AGYCUPHZQZPEEL-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322268688 1387129652 /nfs/dbraw/zinc/12/96/52/1387129652.db2.gz GFJHPJPTIUSLDI-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182590781 1387193003 /nfs/dbraw/zinc/19/30/03/1387193003.db2.gz SZTHSBKAOLUIJR-RAEMOODJSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182629929 1387198993 /nfs/dbraw/zinc/19/89/93/1387198993.db2.gz PKWAMHJJQBDOIT-YLJYHZDGSA-N 2 0 339.568 3.085 20 0 EGADRP Cc1cc2ccccc2n1CC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001322844838 1387245421 /nfs/dbraw/zinc/24/54/21/1387245421.db2.gz DEFJNWUHUMXIJR-UHFFFAOYSA-N 2 0 345.406 3.478 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001336071466 1389006848 /nfs/dbraw/zinc/00/68/48/1389006848.db2.gz JQPJEOBDKVOVHU-FDYSRKEFSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001329490752 1389130921 /nfs/dbraw/zinc/13/09/21/1389130921.db2.gz NYCNMSDUAVEORY-SFHVURJKSA-N 2 0 343.515 3.404 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC001330084643 1389303471 /nfs/dbraw/zinc/30/34/71/1389303471.db2.gz IOAXMZHKXGEASF-AHRSYUTCSA-N 2 0 343.515 3.236 20 0 EGADRP Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)ccc2c[nH+]cn21 ZINC001337335798 1389308788 /nfs/dbraw/zinc/30/87/88/1389308788.db2.gz CIVATTYVLMLIQR-GJZGRUSLSA-N 2 0 342.487 3.129 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001330992443 1389589979 /nfs/dbraw/zinc/58/99/79/1389589979.db2.gz VTAHURNQEQRZLM-QGZVFWFLSA-N 2 0 329.488 3.391 20 0 EGADRP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCCCCC1 ZINC001331575250 1389808163 /nfs/dbraw/zinc/80/81/63/1389808163.db2.gz DYVBDVQLJSWLHI-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001331820207 1389879619 /nfs/dbraw/zinc/87/96/19/1389879619.db2.gz GIWKJKQARKKJFO-AWEZNQCLSA-N 2 0 342.462 3.307 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001339092676 1389896231 /nfs/dbraw/zinc/89/62/31/1389896231.db2.gz DNSFCGOATFHFTB-UHFFFAOYSA-N 2 0 336.182 3.463 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]CCC23CCC3)cc1)C(C)C ZINC001332048856 1389957833 /nfs/dbraw/zinc/95/78/33/1389957833.db2.gz GTWYENIIAVMTSQ-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[NH2+][C@H](C)CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001332173597 1390020752 /nfs/dbraw/zinc/02/07/52/1390020752.db2.gz KTNWQEFBGMYVQL-QGZVFWFLSA-N 2 0 339.483 3.046 20 0 EGADRP CSCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001340012062 1390207345 /nfs/dbraw/zinc/20/73/45/1390207345.db2.gz NIWCFVUCMCMVGG-QGZVFWFLSA-N 2 0 349.544 3.470 20 0 EGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@H]([NH3+])C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001340428777 1390287453 /nfs/dbraw/zinc/28/74/53/1390287453.db2.gz KIYROVDEEJCGSV-NEWSRXKRSA-N 2 0 345.531 3.167 20 0 EGADRP CC(C)(C[NH3+])CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001340839481 1390381319 /nfs/dbraw/zinc/38/13/19/1390381319.db2.gz PYSFPADPBYEHGU-UHFFFAOYSA-N 2 0 331.504 3.054 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC001333749429 1390391920 /nfs/dbraw/zinc/39/19/20/1390391920.db2.gz HXDWJZQBJDJKKI-ICSRJNTNSA-N 2 0 327.472 3.001 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCN(c4ccccc4)C3)C[C@H]2C1 ZINC001333841081 1390420363 /nfs/dbraw/zinc/42/03/63/1390420363.db2.gz KGFFVTWZNKHWBO-ANTGDGSKSA-N 2 0 327.516 3.175 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001341605311 1390508707 /nfs/dbraw/zinc/50/87/07/1390508707.db2.gz MIOBUIABUPBVEX-BXWFABGCSA-N 2 0 331.504 3.092 20 0 EGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001341620511 1390510886 /nfs/dbraw/zinc/51/08/86/1390510886.db2.gz YMHJRDMAQSHBQZ-DBVUQKKJSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)CC[NH+]1CCC(NCc2cc(OCC(F)F)ccn2)CC1 ZINC001334388746 1390530339 /nfs/dbraw/zinc/53/03/39/1390530339.db2.gz DFUPFKWLQKUQEI-UHFFFAOYSA-N 2 0 341.446 3.326 20 0 EGADRP C[NH+](C)C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC001342281211 1390595439 /nfs/dbraw/zinc/59/54/39/1390595439.db2.gz PCBYOYIXJBQPET-MOPGFXCFSA-N 2 0 343.446 3.025 20 0 EGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccco1 ZINC001342717394 1390644809 /nfs/dbraw/zinc/64/48/09/1390644809.db2.gz MREAGSLPHUEOKB-SUMWQHHRSA-N 2 0 340.427 3.095 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cn1 ZINC001343334278 1390707931 /nfs/dbraw/zinc/70/79/31/1390707931.db2.gz RTLBMUVLGIHGEO-GBESFXJTSA-N 2 0 330.520 3.088 20 0 EGADRP CC(C)C(NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C(C)C ZINC001343609279 1390726129 /nfs/dbraw/zinc/72/61/29/1390726129.db2.gz MWTJJMYYHJNZIP-UHFFFAOYSA-N 2 0 345.531 3.167 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H](n2cncn2)C1 ZINC001343916174 1390744115 /nfs/dbraw/zinc/74/41/15/1390744115.db2.gz LKBLVIXOHPMIPM-RSYAAINLSA-N 2 0 345.535 3.395 20 0 EGADRP Fc1cccc2c1CC[C@H]2[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC001347792702 1391125130 /nfs/dbraw/zinc/12/51/30/1391125130.db2.gz CQMNVMNXSMVCRJ-HXUWFJFHSA-N 2 0 332.463 3.247 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)co2)c1 ZINC001348560209 1391238875 /nfs/dbraw/zinc/23/88/75/1391238875.db2.gz BJOZZONOOJMZFP-UHFFFAOYSA-N 2 0 341.455 3.316 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3N[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC001350925717 1391560257 /nfs/dbraw/zinc/56/02/57/1391560257.db2.gz DCHGCDUEJNMPET-INFJVKRUSA-N 2 0 339.527 3.113 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001351288023 1391621786 /nfs/dbraw/zinc/62/17/86/1391621786.db2.gz KNTVYTSKZBOVTN-RTBURBONSA-N 2 0 331.504 3.059 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001488869873 1391736045 /nfs/dbraw/zinc/73/60/45/1391736045.db2.gz CXCFZSDOJPDXIG-UAPYVXQJSA-N 2 0 337.552 3.027 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC12CCC2)c1ccsc1 ZINC001353481238 1392020474 /nfs/dbraw/zinc/02/04/74/1392020474.db2.gz CLIJIGOBSHKSHL-IRXDYDNUSA-N 2 0 349.544 3.027 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC001353548565 1392037445 /nfs/dbraw/zinc/03/74/45/1392037445.db2.gz KWCZJMPOKDJSKD-ZHALLVOQSA-N 2 0 345.531 3.400 20 0 EGADRP c1cc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)oc1C[NH+]1CCCCC1 ZINC001354193672 1392126420 /nfs/dbraw/zinc/12/64/20/1392126420.db2.gz OSGFZJHKVZRJHA-INIZCTEOSA-N 2 0 342.443 3.125 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001479257052 1392199893 /nfs/dbraw/zinc/19/98/93/1392199893.db2.gz JKURCDMQTJAQGN-ICSRJNTNSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001479672422 1392313015 /nfs/dbraw/zinc/31/30/15/1392313015.db2.gz IWXDLXSTTCFINU-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001479826017 1392413985 /nfs/dbraw/zinc/41/39/85/1392413985.db2.gz LTKIEJBPOVGTMS-KBXCAEBGSA-N 2 0 328.460 3.026 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001479895544 1392464250 /nfs/dbraw/zinc/46/42/50/1392464250.db2.gz LUCGRESOGUREMJ-BEFAXECRSA-N 2 0 349.494 3.150 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001698858821 1406568360 /nfs/dbraw/zinc/56/83/60/1406568360.db2.gz FLZZEVRRLMATAT-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)cc1 ZINC001480410034 1392745811 /nfs/dbraw/zinc/74/58/11/1392745811.db2.gz ZKOBLHDMPJXOAO-BASWHVEKSA-N 2 0 349.906 3.131 20 0 EGADRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCCCC1 ZINC001480776172 1392926439 /nfs/dbraw/zinc/92/64/39/1392926439.db2.gz NIRJRPYBGFFUAP-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480849348 1392982159 /nfs/dbraw/zinc/98/21/59/1392982159.db2.gz WPLLEVPKVCXTQZ-VQIMIIECSA-N 2 0 345.531 3.187 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480945945 1393039768 /nfs/dbraw/zinc/03/97/68/1393039768.db2.gz GOMKGGFXNIJXKF-SJLPKXTDSA-N 2 0 345.531 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCC1CCCC1)[NH+]1CCCCC1 ZINC001480951936 1393042984 /nfs/dbraw/zinc/04/29/84/1393042984.db2.gz RYSBAHLDKLTZML-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480982752 1393066089 /nfs/dbraw/zinc/06/60/89/1393066089.db2.gz GHXFYTRBALAXSV-NBSXQYNISA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001481121272 1393125445 /nfs/dbraw/zinc/12/54/45/1393125445.db2.gz WTUDEGZWMWVTBO-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1)c1ccccc1F ZINC001481317827 1393162957 /nfs/dbraw/zinc/16/29/57/1393162957.db2.gz RFDMVFCYTLFUPE-QGZVFWFLSA-N 2 0 349.494 3.201 20 0 EGADRP CC(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[NH2+]CC2CC2)cc1 ZINC001481357706 1393179056 /nfs/dbraw/zinc/17/90/56/1393179056.db2.gz IRTZKVAAKRSBNF-WOJBJXKFSA-N 2 0 343.515 3.061 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC001481367379 1394206609 /nfs/dbraw/zinc/20/66/09/1394206609.db2.gz QYDCWKRMLXXVRA-KRWDZBQOSA-N 2 0 345.512 3.279 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001490421000 1394221771 /nfs/dbraw/zinc/22/17/71/1394221771.db2.gz FZJYSHBVJCPPDS-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001481404078 1394257095 /nfs/dbraw/zinc/25/70/95/1394257095.db2.gz VJNMMWMVRKRXGA-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001490579867 1394272128 /nfs/dbraw/zinc/27/21/28/1394272128.db2.gz YYPWXQWELYZISJ-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001490777719 1394341596 /nfs/dbraw/zinc/34/15/96/1394341596.db2.gz RITHFCIAFWLYDB-HXUWFJFHSA-N 2 0 345.531 3.007 20 0 EGADRP C[C@H](C(=O)NCC1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001481648544 1394431530 /nfs/dbraw/zinc/43/15/30/1394431530.db2.gz UXSUQVMFZVXPGC-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001491126775 1394442876 /nfs/dbraw/zinc/44/28/76/1394442876.db2.gz SQQCHNWFYHCNHD-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001481749740 1394494393 /nfs/dbraw/zinc/49/43/93/1394494393.db2.gz VMFWXVNLEQUMIM-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001482066875 1394727782 /nfs/dbraw/zinc/72/77/82/1394727782.db2.gz UWMJQNQCTAXWMV-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CC2CC2)CC1 ZINC001482505329 1395058367 /nfs/dbraw/zinc/05/83/67/1395058367.db2.gz HKBUENMZQQKCLA-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C[C@H]1C ZINC001483917296 1395143924 /nfs/dbraw/zinc/14/39/24/1395143924.db2.gz VFBQJGHLPDVNCI-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001485300731 1395779942 /nfs/dbraw/zinc/77/99/42/1395779942.db2.gz FPMKFRRYASLCBB-ROUUACIJSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001486211714 1396183189 /nfs/dbraw/zinc/18/31/89/1396183189.db2.gz XPUUWXCYPUFLET-VQTJNVASSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001494214430 1396403663 /nfs/dbraw/zinc/40/36/63/1396403663.db2.gz INVXRUMROXYOQY-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001494271990 1396414883 /nfs/dbraw/zinc/41/48/83/1396414883.db2.gz RRZDEYPXZYKDNV-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001495963641 1396579397 /nfs/dbraw/zinc/57/93/97/1396579397.db2.gz MUBYOMCOAIIJAE-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001689109149 1396915788 /nfs/dbraw/zinc/91/57/88/1396915788.db2.gz YAMURWSRDFDGQB-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690785577 1404733068 /nfs/dbraw/zinc/73/30/68/1404733068.db2.gz WAHKGGHYEHOBFL-UXHICEINSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001690872328 1404788372 /nfs/dbraw/zinc/78/83/72/1404788372.db2.gz VGXDWPDJZLVHQP-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](CC)[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001691047421 1404959492 /nfs/dbraw/zinc/95/94/92/1404959492.db2.gz BHGXFPXEPHRTAY-YOEHRIQHSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001691085108 1405019148 /nfs/dbraw/zinc/01/91/48/1405019148.db2.gz BGQIKYBLLOUJRR-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001691108388 1405048881 /nfs/dbraw/zinc/04/88/81/1405048881.db2.gz IEDQGNANCNGMSI-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001691441363 1405271215 /nfs/dbraw/zinc/27/12/15/1405271215.db2.gz OPSCDYYFAZVQEX-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001732004745 1428216858 /nfs/dbraw/zinc/21/68/58/1428216858.db2.gz WRCSGGMHAIVTIH-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CC(C)C1)CC2 ZINC001691960024 1405676807 /nfs/dbraw/zinc/67/68/07/1405676807.db2.gz JAGBQILFGGFSJR-XBMUEBEBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001698587368 1406206669 /nfs/dbraw/zinc/20/66/69/1406206669.db2.gz NQTUBEWJIOEEID-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001732134614 1428380969 /nfs/dbraw/zinc/38/09/69/1428380969.db2.gz PIHJXWSPGKALSN-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1C ZINC001732222848 1428471681 /nfs/dbraw/zinc/47/16/81/1428471681.db2.gz ORXCQRJBVVINRM-RBUKOAKNSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001732317952 1428528474 /nfs/dbraw/zinc/52/84/74/1428528474.db2.gz SYPPKZZSGRTBMK-HXUWFJFHSA-N 2 0 345.531 3.169 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001732399186 1428565668 /nfs/dbraw/zinc/56/56/68/1428565668.db2.gz XIKLMBSRYWKOSD-MSOLQXFVSA-N 2 0 343.515 3.026 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001732477373 1428603446 /nfs/dbraw/zinc/60/34/46/1428603446.db2.gz MOSVWMFNKTUPAA-WOJBJXKFSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H](C[N@H+](C)CC/C=C/c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699445914 1412779567 /nfs/dbraw/zinc/77/95/67/1412779567.db2.gz JABOZNIMYDRLEE-RORWEDLISA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccc2ccccc2c1)NC(=O)CCC[NH+](C)C ZINC001699460851 1412814632 /nfs/dbraw/zinc/81/46/32/1412814632.db2.gz FQBNUCXVDUBAAM-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001699696043 1413105441 /nfs/dbraw/zinc/10/54/41/1413105441.db2.gz YIJJBTAGNMXLIV-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC001699799431 1413210402 /nfs/dbraw/zinc/21/04/02/1413210402.db2.gz IYPCSSPMASKNQV-FQEVSTJZSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](Cc2cccc(C)c2)C1 ZINC001699876302 1413333454 /nfs/dbraw/zinc/33/34/54/1413333454.db2.gz DKQBECCCOHSUAF-NRFANRHFSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001700196403 1413638227 /nfs/dbraw/zinc/63/82/27/1413638227.db2.gz DZJMTPKVFLCBHQ-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001700200366 1413644123 /nfs/dbraw/zinc/64/41/23/1413644123.db2.gz GSQRVCQARIWTNH-WOJBJXKFSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC(C)(C)C ZINC001700318990 1413782432 /nfs/dbraw/zinc/78/24/32/1413782432.db2.gz XVOBRLBVWNKASL-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001700488528 1414139115 /nfs/dbraw/zinc/13/91/15/1414139115.db2.gz ZWDJJILIMIBINR-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCC2CCCCCC2)CC[N@@H+]1C ZINC001732582159 1428789061 /nfs/dbraw/zinc/78/90/61/1428789061.db2.gz VZTTVBHMIFNTDT-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001700555795 1414225930 /nfs/dbraw/zinc/22/59/30/1414225930.db2.gz UDAYBTIWNRQVJO-BEFAXECRSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001700638004 1414304654 /nfs/dbraw/zinc/30/46/54/1414304654.db2.gz HKJVVLFWPYXTHW-QZHFEQFPSA-N 2 0 349.494 3.101 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700698468 1414358442 /nfs/dbraw/zinc/35/84/42/1414358442.db2.gz QIYGZLGTUJIAQV-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001700777032 1414457182 /nfs/dbraw/zinc/45/71/82/1414457182.db2.gz CINDPNWJYGEZSX-MOPGFXCFSA-N 2 0 345.531 3.450 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001700851676 1414499608 /nfs/dbraw/zinc/49/96/08/1414499608.db2.gz NSVHWWBLJGTOBV-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001700880436 1414536053 /nfs/dbraw/zinc/53/60/53/1414536053.db2.gz MKFVDZPXDCSRKN-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(C(=O)N2CCC[C@H](C)[C@H]2CC[NH2+]C(C)C)ccc2c[nH+]cn21 ZINC001707133912 1417215693 /nfs/dbraw/zinc/21/56/93/1417215693.db2.gz MAUGJPYKBXDKPM-HNAYVOBHSA-N 2 0 342.487 3.272 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001713257306 1417859783 /nfs/dbraw/zinc/85/97/83/1417859783.db2.gz ZPSHLWYYKAKYAT-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1)[NH+](C)C ZINC001713263171 1417871361 /nfs/dbraw/zinc/87/13/61/1417871361.db2.gz CFMVXHDYFLHCRM-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCC2=CCCCC2)C1 ZINC001713267714 1417876895 /nfs/dbraw/zinc/87/68/95/1417876895.db2.gz AQHYLUFCUMSHED-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001713309857 1417934510 /nfs/dbraw/zinc/93/45/10/1417934510.db2.gz KPEWGQSQECIJHG-ADYSOMBNSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC[C@@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001713739865 1418539598 /nfs/dbraw/zinc/53/95/98/1418539598.db2.gz YLPOEZHCFJPELB-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713838361 1418635491 /nfs/dbraw/zinc/63/54/91/1418635491.db2.gz FIILZQKAKHYWMK-OALUTQOASA-N 2 0 343.515 3.123 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001714048888 1418846137 /nfs/dbraw/zinc/84/61/37/1418846137.db2.gz DZGJXMGYBJLLTB-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCCCC2)CCC1 ZINC001714107292 1418907459 /nfs/dbraw/zinc/90/74/59/1418907459.db2.gz GTYLSHVDOMHLCT-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)NC1(C[NH2+]Cc2cc(C)ccc2C)CCCC1)[NH+](C)C ZINC001714141173 1418943585 /nfs/dbraw/zinc/94/35/85/1418943585.db2.gz JPUOAARSQXIVLV-IBGZPJMESA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001714149063 1418955338 /nfs/dbraw/zinc/95/53/38/1418955338.db2.gz CEUKJTOOBAWWKC-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001714152065 1418959276 /nfs/dbraw/zinc/95/92/76/1418959276.db2.gz XHPXFSOZFHCZAF-ZWKOTPCHSA-N 2 0 343.515 3.026 20 0 EGADRP CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001714317136 1419095665 /nfs/dbraw/zinc/09/56/65/1419095665.db2.gz PUWHHZZQPLWAPY-FOUKWCRFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[NH+]1CCC(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001714328314 1419107368 /nfs/dbraw/zinc/10/73/68/1419107368.db2.gz BQRHLZPRBUXANW-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001714484441 1419207916 /nfs/dbraw/zinc/20/79/16/1419207916.db2.gz GETMLWVBQBIKPV-IRXDYDNUSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](CC2CCCCC2)C2CC2)C1 ZINC001714669125 1419458529 /nfs/dbraw/zinc/45/85/29/1419458529.db2.gz PGRDMSJIRNKBGT-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001715034086 1419768398 /nfs/dbraw/zinc/76/83/98/1419768398.db2.gz YMMISCQSAVOTEG-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001715034084 1419768437 /nfs/dbraw/zinc/76/84/37/1419768437.db2.gz YMMISCQSAVOTEG-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+][C@H](C)c1ccccc1 ZINC001715238544 1419968627 /nfs/dbraw/zinc/96/86/27/1419968627.db2.gz ZQWIFULQNLHWAH-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]2CCCCC2)cc1 ZINC001715377786 1420073734 /nfs/dbraw/zinc/07/37/34/1420073734.db2.gz SJMVGUBVYUYIMO-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001715580295 1420261036 /nfs/dbraw/zinc/26/10/36/1420261036.db2.gz XDZDBJWPTMHAJV-PMACEKPBSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001715587329 1420261721 /nfs/dbraw/zinc/26/17/21/1420261721.db2.gz LSPLDKVDCCWKNZ-YJBOKZPZSA-N 2 0 349.494 3.101 20 0 EGADRP CC(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)c1ccccc1 ZINC001715590204 1420261968 /nfs/dbraw/zinc/26/19/68/1420261968.db2.gz FKYQCMDJAYTQTQ-MJGOQNOKSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCCCC1 ZINC001715645486 1420277298 /nfs/dbraw/zinc/27/72/98/1420277298.db2.gz NJFTWFWRNMPRDA-SFHVURJKSA-N 2 0 339.568 3.275 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001715961171 1420428123 /nfs/dbraw/zinc/42/81/23/1420428123.db2.gz ZMODZSJNOUDBPK-QFBILLFUSA-N 2 0 349.494 3.009 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048504 1420512475 /nfs/dbraw/zinc/51/24/75/1420512475.db2.gz AWWLMCUKIIKIEK-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001716219942 1420570449 /nfs/dbraw/zinc/57/04/49/1420570449.db2.gz HQZNKLNZXGPVHN-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001716407244 1420639171 /nfs/dbraw/zinc/63/91/71/1420639171.db2.gz DPQRAYDNYUJLSB-GPMSIDNRSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001716451987 1420667678 /nfs/dbraw/zinc/66/76/78/1420667678.db2.gz LYBGZCJPKJANKB-JJRVBVJISA-N 2 0 339.911 3.082 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001716464459 1420677039 /nfs/dbraw/zinc/67/70/39/1420677039.db2.gz QYFSLIPDOJLDQW-RBUKOAKNSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716508786 1420740616 /nfs/dbraw/zinc/74/06/16/1420740616.db2.gz PUYPNFDROYLQRC-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001716514582 1420744617 /nfs/dbraw/zinc/74/46/17/1420744617.db2.gz NMSRINCTWOMXNL-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001733268972 1429429768 /nfs/dbraw/zinc/42/97/68/1429429768.db2.gz UQWWQJSGMVZPGT-OUNFKRFRSA-N 2 0 347.547 3.329 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccccc1C ZINC001716635343 1420793130 /nfs/dbraw/zinc/79/31/30/1420793130.db2.gz BSVDEDPVIOWRSE-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC[NH+](CC2CCC2)C2CCCCCC2)CC[N@@H+]1C ZINC001733277521 1429443945 /nfs/dbraw/zinc/44/39/45/1429443945.db2.gz GPARFAUBDNTGKA-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001716883850 1421007633 /nfs/dbraw/zinc/00/76/33/1421007633.db2.gz KSGYTDVICAXJMR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001716902688 1421035087 /nfs/dbraw/zinc/03/50/87/1421035087.db2.gz LVZXDBKDUFEEMK-FQEVSTJZSA-N 2 0 349.519 3.363 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)C2 ZINC001716999672 1421069474 /nfs/dbraw/zinc/06/94/74/1421069474.db2.gz NONMEZKDQCFZHI-REPLKXPHSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2CCCCC2)CCC1)[NH+]1CCCCC1 ZINC001717149779 1421140999 /nfs/dbraw/zinc/14/09/99/1421140999.db2.gz BRJDRYXWXXDGSR-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1C)[NH+](C)C ZINC001717214322 1421190849 /nfs/dbraw/zinc/19/08/49/1421190849.db2.gz QZIIMZWARGCAFY-IEBWSBKVSA-N 2 0 333.520 3.177 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](CC)CC)cc2C1 ZINC001717271161 1421228713 /nfs/dbraw/zinc/22/87/13/1421228713.db2.gz ZLSPTFWVVZNIKN-IBGZPJMESA-N 2 0 331.504 3.149 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001717281386 1421232874 /nfs/dbraw/zinc/23/28/74/1421232874.db2.gz KBAOVTLMHUPCHQ-KUHUBIRLSA-N 2 0 342.487 3.129 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001717748086 1421610816 /nfs/dbraw/zinc/61/08/16/1421610816.db2.gz AFLJKVMLARNIEQ-RTBURBONSA-N 2 0 345.531 3.224 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001717882743 1421686346 /nfs/dbraw/zinc/68/63/46/1421686346.db2.gz HLGZLRBHRXFZFS-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001717882744 1421686524 /nfs/dbraw/zinc/68/65/24/1421686524.db2.gz HLGZLRBHRXFZFS-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001733336375 1429521629 /nfs/dbraw/zinc/52/16/29/1429521629.db2.gz TYCFQPBWXJSEEO-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001723649558 1424514410 /nfs/dbraw/zinc/51/44/10/1424514410.db2.gz QTSUOXYGRWDIEZ-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC001723859016 1424587230 /nfs/dbraw/zinc/58/72/30/1424587230.db2.gz HTWURPJBWRCQSK-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001723875930 1424594889 /nfs/dbraw/zinc/59/48/89/1424594889.db2.gz OBVWJBIFKPVQGU-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001724340537 1424832914 /nfs/dbraw/zinc/83/29/14/1424832914.db2.gz LTUIPFOZTBNFPC-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCCCC3)CCC2)C1 ZINC001724794998 1425162125 /nfs/dbraw/zinc/16/21/25/1425162125.db2.gz GJPOMQPEFZBUNL-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001725028384 1425449104 /nfs/dbraw/zinc/44/91/04/1425449104.db2.gz ZHRXGGNYOBUNOS-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001725255949 1425879722 /nfs/dbraw/zinc/87/97/22/1425879722.db2.gz DCBSGVMJGAJIHR-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001725270255 1425905907 /nfs/dbraw/zinc/90/59/07/1425905907.db2.gz VGMNYLAJRKLRJR-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001725561235 1426224705 /nfs/dbraw/zinc/22/47/05/1426224705.db2.gz AJZPUBCBNNKRAH-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCCC1CCCC1 ZINC001725634114 1426304772 /nfs/dbraw/zinc/30/47/72/1426304772.db2.gz RMARKWKYHURNSH-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001731629764 1427681101 /nfs/dbraw/zinc/68/11/01/1427681101.db2.gz SSSBMOHTAOLYJT-FXAWDEMLSA-N 2 0 345.531 3.352 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001731696316 1427746280 /nfs/dbraw/zinc/74/62/80/1427746280.db2.gz WWYSORHAQFMAAG-PMACEKPBSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1cccc(F)c1 ZINC001731812534 1427997128 /nfs/dbraw/zinc/99/71/28/1427997128.db2.gz ACQJJCFJFWASJA-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CCC(CC)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001733679673 1429881858 /nfs/dbraw/zinc/88/18/58/1429881858.db2.gz CDYCVTZNGJYXFO-HXUWFJFHSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)C1 ZINC001733722295 1429944778 /nfs/dbraw/zinc/94/47/78/1429944778.db2.gz QXQANDGZOGNORR-ZWKOTPCHSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)C1 ZINC001733722293 1429945063 /nfs/dbraw/zinc/94/50/63/1429945063.db2.gz QXQANDGZOGNORR-QZTJIDSGSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001733773350 1430009948 /nfs/dbraw/zinc/00/99/48/1430009948.db2.gz DDBMUENRPDDVPM-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001734593623 1438180080 /nfs/dbraw/zinc/18/00/80/1438180080.db2.gz CIVMSPSLHYYAKX-AOCRQIFASA-N 2 0 343.515 3.119 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752008419 1440132424 /nfs/dbraw/zinc/13/24/24/1440132424.db2.gz GJVXZHQWYJOKOK-OALUTQOASA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001752160034 1440148769 /nfs/dbraw/zinc/14/87/69/1440148769.db2.gz XHHKLPPKQHKRER-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001752423196 1440176286 /nfs/dbraw/zinc/17/62/86/1440176286.db2.gz GPFMNQPTQQJJOV-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCC1CCCCCC1)CC2 ZINC001752423556 1440176454 /nfs/dbraw/zinc/17/64/54/1440176454.db2.gz IBGQYMWLOWGKJF-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001752426236 1440176981 /nfs/dbraw/zinc/17/69/81/1440176981.db2.gz ICGMTJSHQBGGQN-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001752427001 1440177483 /nfs/dbraw/zinc/17/74/83/1440177483.db2.gz MPXSXECMUMNLAS-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001752432009 1440178558 /nfs/dbraw/zinc/17/85/58/1440178558.db2.gz RDYXNGNGKPRDRR-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001752479289 1440185121 /nfs/dbraw/zinc/18/51/21/1440185121.db2.gz DNWDRGPNGHQLAY-VDGAXYAQSA-N 2 0 349.563 3.172 20 0 EGADRP CC1CCC(C[NH2+][C@H](CNC(=O)C[NH+]2CCC(C)CC2)C2CC2)CC1 ZINC001752491177 1440186873 /nfs/dbraw/zinc/18/68/73/1440186873.db2.gz PJQKJTRYXGJIBT-OUNSHVDWSA-N 2 0 349.563 3.029 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001752516283 1440191185 /nfs/dbraw/zinc/19/11/85/1440191185.db2.gz CMSZJCABLRUVCH-FAPWYTRCSA-N 2 0 337.552 3.099 20 0 EGADRP CC(C)(C)CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001752815118 1440217812 /nfs/dbraw/zinc/21/78/12/1440217812.db2.gz NWEZXFSPURBIMQ-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001752841712 1440230990 /nfs/dbraw/zinc/23/09/90/1440230990.db2.gz SINIVFQZJYMTQC-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)CC[NH2+]C1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001752852905 1440233994 /nfs/dbraw/zinc/23/39/94/1440233994.db2.gz WEFGXCFAXZZNTA-VIQWUECVSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001752885670 1440239847 /nfs/dbraw/zinc/23/98/47/1440239847.db2.gz OHZAMBCXGHHBCB-QGZVFWFLSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCCCC1 ZINC001752902833 1440243365 /nfs/dbraw/zinc/24/33/65/1440243365.db2.gz IDTQBXOBLVQESM-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC1=CCCCC1 ZINC001752907703 1440244704 /nfs/dbraw/zinc/24/47/04/1440244704.db2.gz JFPNDWLYHUDYRV-QGZVFWFLSA-N 2 0 343.515 3.347 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995232 1440261477 /nfs/dbraw/zinc/26/14/77/1440261477.db2.gz QRBAQZUIMQGORI-KDHUBKHVSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752999842 1440263892 /nfs/dbraw/zinc/26/38/92/1440263892.db2.gz ISGVQFCOLBHADV-VQTJNVASSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001753008618 1440266356 /nfs/dbraw/zinc/26/63/56/1440266356.db2.gz IHGVPVJGJVAUEG-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001753014550 1440268066 /nfs/dbraw/zinc/26/80/66/1440268066.db2.gz OVYYXNISUAFSOZ-VQIMIIECSA-N 2 0 349.494 3.073 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001753029896 1440272432 /nfs/dbraw/zinc/27/24/32/1440272432.db2.gz LRQZKPHTHHKYKM-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001753061840 1440283758 /nfs/dbraw/zinc/28/37/58/1440283758.db2.gz YJLARTBOUQRVRQ-KRWDZBQOSA-N 2 0 341.499 3.291 20 0 EGADRP CC(C)[C@H](C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001753074361 1440290323 /nfs/dbraw/zinc/29/03/23/1440290323.db2.gz ITMCSAVBYQCOKG-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753105898 1440306233 /nfs/dbraw/zinc/30/62/33/1440306233.db2.gz JUDGSKNDFJXVPH-RBUKOAKNSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cccc(F)c1 ZINC001753147568 1440325444 /nfs/dbraw/zinc/32/54/44/1440325444.db2.gz JAIZLBDGRVNXTD-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CC1CCC(C[N@H+](CCNC(=O)CC[C@H]2CCC[NH+]2C)C2CC2)CC1 ZINC001753155950 1440330784 /nfs/dbraw/zinc/33/07/84/1440330784.db2.gz LRIINNIQDMCFCA-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001753156186 1440331054 /nfs/dbraw/zinc/33/10/54/1440331054.db2.gz NZDYGPPTRVIUMH-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[N@@H+](CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C2CC2)cs1 ZINC001753165168 1440335583 /nfs/dbraw/zinc/33/55/83/1440335583.db2.gz PJPPNEPURQHRNR-HUUCEWRRSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001753209106 1440339096 /nfs/dbraw/zinc/33/90/96/1440339096.db2.gz ZTSPAHMONSCRPB-LPHOPBHVSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001753360020 1440382385 /nfs/dbraw/zinc/38/23/85/1440382385.db2.gz OGYMLLAAOQJCDE-IRXDYDNUSA-N 2 0 349.494 3.007 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753368335 1440386512 /nfs/dbraw/zinc/38/65/12/1440386512.db2.gz KTMUTXBYFAWFRL-OBNUAKFSSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753428816 1440397637 /nfs/dbraw/zinc/39/76/37/1440397637.db2.gz WITIEIXXGAQVFC-RAEMOODJSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](CC)c1ccccc1 ZINC001753487281 1440418137 /nfs/dbraw/zinc/41/81/37/1440418137.db2.gz GNNKNBFUPUNSCW-WOJBJXKFSA-N 2 0 345.531 3.354 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001753514152 1440426919 /nfs/dbraw/zinc/42/69/19/1440426919.db2.gz CLWZJJSZABJQNU-GHTZIAJQSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH2+]CC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001753523836 1440429094 /nfs/dbraw/zinc/42/90/94/1440429094.db2.gz RFQDFQABWHJHLR-DJPFJPOOSA-N 2 0 347.547 3.092 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001753527994 1440430090 /nfs/dbraw/zinc/43/00/90/1440430090.db2.gz KKXYYWWSFFLOJO-GHTZIAJQSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)C[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001753535723 1440432564 /nfs/dbraw/zinc/43/25/64/1440432564.db2.gz LOMUKAMVADQEPL-PXNSSMCTSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001753536611 1440432764 /nfs/dbraw/zinc/43/27/64/1440432764.db2.gz WPDJPEPWPFYHOU-NQIIRXRSSA-N 2 0 349.563 3.317 20 0 EGADRP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001753587382 1440441812 /nfs/dbraw/zinc/44/18/12/1440441812.db2.gz UIOMXSCXWZURDV-UFYCRDLUSA-N 2 0 345.531 3.497 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001753596677 1440444899 /nfs/dbraw/zinc/44/48/99/1440444899.db2.gz DQXLINJBVXJHAJ-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC(C)=CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001753598959 1440445690 /nfs/dbraw/zinc/44/56/90/1440445690.db2.gz XNVQASQYVFGZEY-UHFFFAOYSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH2+]CC1CCCC1 ZINC001753641541 1440454598 /nfs/dbraw/zinc/45/45/98/1440454598.db2.gz XJNZTGYZKIUKTK-YLJYHZDGSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001753645213 1440455683 /nfs/dbraw/zinc/45/56/83/1440455683.db2.gz UTRDIQWMWWFCAO-QGZVFWFLSA-N 2 0 347.547 3.166 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001753664235 1440459782 /nfs/dbraw/zinc/45/97/82/1440459782.db2.gz REPJRMUYYCEESI-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001753665833 1440460146 /nfs/dbraw/zinc/46/01/46/1440460146.db2.gz PDXFLZXMLGSFDZ-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001753669952 1440461626 /nfs/dbraw/zinc/46/16/26/1440461626.db2.gz MFHXLWGYZPNXER-YQHFQFMOSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001753747541 1440481538 /nfs/dbraw/zinc/48/15/38/1440481538.db2.gz UAUILAHOLAYPGC-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753776125 1440486453 /nfs/dbraw/zinc/48/64/53/1440486453.db2.gz AMOVZKOVWWUJFV-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1)C1CCC1 ZINC001753779672 1440487086 /nfs/dbraw/zinc/48/70/86/1440487086.db2.gz MUTMAGTWNRDZMU-FQEVSTJZSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001753786727 1440488270 /nfs/dbraw/zinc/48/82/70/1440488270.db2.gz SMPMWWRNMIJETM-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753796445 1440489903 /nfs/dbraw/zinc/48/99/03/1440489903.db2.gz KPXYBGROUXNREW-XOIGSVRCSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001753811949 1440493039 /nfs/dbraw/zinc/49/30/39/1440493039.db2.gz BWHPMBRRIKSENG-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1)CC1CCC1 ZINC001753820737 1440495892 /nfs/dbraw/zinc/49/58/92/1440495892.db2.gz BYCMSBNXWHSTHH-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CCCC1CCC1)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001753824059 1440497569 /nfs/dbraw/zinc/49/75/69/1440497569.db2.gz UAAWSVQQVWVLGC-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)cc1C ZINC001753831358 1440499789 /nfs/dbraw/zinc/49/97/89/1440499789.db2.gz RWVJXIPDZPZCFV-IBGZPJMESA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753864623 1440513601 /nfs/dbraw/zinc/51/36/01/1440513601.db2.gz QZKMBPWFUMMXQQ-MOPGFXCFSA-N 2 0 345.531 3.402 20 0 EGADRP CN(CC[N@H+](C)CC1CCC(C)(C)CC1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001753868101 1440515900 /nfs/dbraw/zinc/51/59/00/1440515900.db2.gz SEABJCZNLMQQFB-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869313 1440516770 /nfs/dbraw/zinc/51/67/70/1440516770.db2.gz OLCULZYYJPCTGX-GOSISDBHSA-N 2 0 331.504 3.014 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)CC[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001753977917 1440527782 /nfs/dbraw/zinc/52/77/82/1440527782.db2.gz FDRAEGSGPCYWBS-HNNXBMFYSA-N 2 0 342.487 3.321 20 0 EGADRP CCN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754063725 1440537113 /nfs/dbraw/zinc/53/71/13/1440537113.db2.gz RHNFEBBYYGSPQQ-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCN(CC[NH2+]CC1CCCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001754071205 1440538133 /nfs/dbraw/zinc/53/81/33/1440538133.db2.gz ZLFBCXHSMHMREH-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754070811 1440538216 /nfs/dbraw/zinc/53/82/16/1440538216.db2.gz QEHWYCKGOUXOEW-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001754231477 1440554141 /nfs/dbraw/zinc/55/41/41/1440554141.db2.gz ZNESCOHFYDKUPB-GQIGUUNPSA-N 2 0 341.499 3.335 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001754335414 1440586298 /nfs/dbraw/zinc/58/62/98/1440586298.db2.gz CHKDRRUVSNBEGF-HNNXBMFYSA-N 2 0 345.512 3.060 20 0 EGADRP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001754371103 1440592651 /nfs/dbraw/zinc/59/26/51/1440592651.db2.gz XXQROLBRAMIALT-FQEVSTJZSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001754493308 1440611124 /nfs/dbraw/zinc/61/11/24/1440611124.db2.gz UTILPSCVYVPJCG-LPHOPBHVSA-N 2 0 331.504 3.013 20 0 EGADRP CCCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001754545873 1440627686 /nfs/dbraw/zinc/62/76/86/1440627686.db2.gz XIOLMUTYRGLQOI-LJQANCHMSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001754561340 1440633843 /nfs/dbraw/zinc/63/38/43/1440633843.db2.gz QFSNJWIZRWKKMX-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754566158 1440635652 /nfs/dbraw/zinc/63/56/52/1440635652.db2.gz WUPLVRORUCUYDL-UYAOXDASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](CC)CC ZINC001754567982 1440636282 /nfs/dbraw/zinc/63/62/82/1440636282.db2.gz YBRPYSXMZGUXDM-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001754629640 1440647260 /nfs/dbraw/zinc/64/72/60/1440647260.db2.gz IHMFHJQEOUXZJB-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2(C)CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001754630849 1440647746 /nfs/dbraw/zinc/64/77/46/1440647746.db2.gz NVQLMQLFYXIWAC-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001754659039 1440654279 /nfs/dbraw/zinc/65/42/79/1440654279.db2.gz ALADKXXUJOVACZ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)C ZINC001754661078 1440654888 /nfs/dbraw/zinc/65/48/88/1440654888.db2.gz WAHSDYBZLVUHCZ-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001754674740 1440659485 /nfs/dbraw/zinc/65/94/85/1440659485.db2.gz BFBQVMXFWRXJHA-GGVAOPBYSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001754696508 1440667178 /nfs/dbraw/zinc/66/71/78/1440667178.db2.gz YCQWFNQLEYOOKD-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001754703173 1440668374 /nfs/dbraw/zinc/66/83/74/1440668374.db2.gz JVNGRAIKPGUBPC-CTNGQTDRSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001754707979 1440669610 /nfs/dbraw/zinc/66/96/10/1440669610.db2.gz QUAOOGRVNBQMAO-HRSGFYEVSA-N 2 0 349.563 3.435 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@]2(C)CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001754712739 1440670572 /nfs/dbraw/zinc/67/05/72/1440670572.db2.gz MGODSOXKNOXWAB-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CC1CC(C[NH+]2CCC(C)(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001754718459 1440672311 /nfs/dbraw/zinc/67/23/11/1440672311.db2.gz BVUHAWJUBOHOGD-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001754797777 1440689857 /nfs/dbraw/zinc/68/98/57/1440689857.db2.gz TVZDBZAYXCMKKG-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001754828225 1440693855 /nfs/dbraw/zinc/69/38/55/1440693855.db2.gz GMRCFJMOAPMDNL-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754866974 1440703262 /nfs/dbraw/zinc/70/32/62/1440703262.db2.gz GEHMCILZXIJKJK-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001754940343 1440711639 /nfs/dbraw/zinc/71/16/39/1440711639.db2.gz NKGOYTZLWCZBFV-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001755026684 1440729238 /nfs/dbraw/zinc/72/92/38/1440729238.db2.gz UZIQUMUOZHCPBX-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001755031304 1440731706 /nfs/dbraw/zinc/73/17/06/1440731706.db2.gz OOACDUVOPXBSJL-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP CN(CCC[N@H+](C)CCC1=CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001755040329 1440736919 /nfs/dbraw/zinc/73/69/19/1440736919.db2.gz QTBNMXUKWJPWBH-UHFFFAOYSA-N 2 0 347.547 3.286 20 0 EGADRP CC(C)CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001755114186 1440754644 /nfs/dbraw/zinc/75/46/44/1440754644.db2.gz MATIFXKEAHBTJX-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001755121375 1440755612 /nfs/dbraw/zinc/75/56/12/1440755612.db2.gz HKFVCYCTNXUMBG-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001755165640 1440767184 /nfs/dbraw/zinc/76/71/84/1440767184.db2.gz PEYZLAQLCACXDN-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC=C(C)C)C2)CC1 ZINC001755205035 1440781977 /nfs/dbraw/zinc/78/19/77/1440781977.db2.gz PFDXDGPCEHZSIR-FQEVSTJZSA-N 2 0 349.563 3.245 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001755241643 1440789597 /nfs/dbraw/zinc/78/95/97/1440789597.db2.gz FRKKEYPDNHUKDX-ZIAGYGMSSA-N 2 0 330.476 3.175 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001755245847 1440790521 /nfs/dbraw/zinc/79/05/21/1440790521.db2.gz HPZBTFRSJRGGEL-SJORKVTESA-N 2 0 345.531 3.077 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001755249220 1440791382 /nfs/dbraw/zinc/79/13/82/1440791382.db2.gz OCJKAAXHDVFHEJ-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@@H]([NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001755275285 1440798822 /nfs/dbraw/zinc/79/88/22/1440798822.db2.gz SVQQUQQWRMDBPZ-VNCLNFNDSA-N 2 0 349.494 3.198 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001755286399 1440802197 /nfs/dbraw/zinc/80/21/97/1440802197.db2.gz UNWMNZWUEALSLO-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001755289598 1440803363 /nfs/dbraw/zinc/80/33/63/1440803363.db2.gz POCUFEZSKGPFER-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001755327074 1440822364 /nfs/dbraw/zinc/82/23/64/1440822364.db2.gz DQUORGYYOKPHNW-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001755355895 1440829383 /nfs/dbraw/zinc/82/93/83/1440829383.db2.gz ZLLVIRSBKLBTNO-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414898 1440847991 /nfs/dbraw/zinc/84/79/91/1440847991.db2.gz CKYKVPGWSZIMGQ-CRAIPNDOSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001755473807 1440859198 /nfs/dbraw/zinc/85/91/98/1440859198.db2.gz XSBKHLADELLBOL-LFGUQSLTSA-N 2 0 343.515 3.106 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001755479742 1440859829 /nfs/dbraw/zinc/85/98/29/1440859829.db2.gz YXILFKPLJMBKFJ-FHWLQOOXSA-N 2 0 337.552 3.170 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001755535372 1440869020 /nfs/dbraw/zinc/86/90/20/1440869020.db2.gz HIMJOBWRAVPQJE-CEXWTWQISA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001755549068 1440871540 /nfs/dbraw/zinc/87/15/40/1440871540.db2.gz DSIARPMWACXYQT-WOJBJXKFSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001755552909 1440872647 /nfs/dbraw/zinc/87/26/47/1440872647.db2.gz GNKCHJZEVKLTBM-RTBURBONSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001755573481 1440877495 /nfs/dbraw/zinc/87/74/95/1440877495.db2.gz RVTLASIOESKFJQ-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001755603802 1440884858 /nfs/dbraw/zinc/88/48/58/1440884858.db2.gz ISGNWKJGZTYNME-QZTJIDSGSA-N 2 0 345.531 3.088 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755618163 1440889713 /nfs/dbraw/zinc/88/97/13/1440889713.db2.gz IEPQQAOSOVHIQI-HNNXBMFYSA-N 2 0 347.528 3.178 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)[C@H]1C ZINC001755666612 1440893478 /nfs/dbraw/zinc/89/34/78/1440893478.db2.gz GOUORMJOJMVQOO-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001755766978 1440916441 /nfs/dbraw/zinc/91/64/41/1440916441.db2.gz SSCYSFOOJQRNFA-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)N(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001755811845 1440920812 /nfs/dbraw/zinc/92/08/12/1440920812.db2.gz CJOLAHYLDHRRAV-HXUWFJFHSA-N 2 0 345.531 3.185 20 0 EGADRP CCCCCC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001755822643 1440926217 /nfs/dbraw/zinc/92/62/17/1440926217.db2.gz UNMHFDHXVIDFGA-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccc(C[NH+]2CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001755844640 1440932824 /nfs/dbraw/zinc/93/28/24/1440932824.db2.gz DIFNGGBJSJPWLR-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755845166 1440932967 /nfs/dbraw/zinc/93/29/67/1440932967.db2.gz ZDZRVBJQXHNBQT-OOFWQKGWSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001755845965 1440933387 /nfs/dbraw/zinc/93/33/87/1440933387.db2.gz GPUIKHNYTISFQP-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001755846102 1440933436 /nfs/dbraw/zinc/93/34/36/1440933436.db2.gz MGVSQNGMQRIGCT-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001755901577 1440944082 /nfs/dbraw/zinc/94/40/82/1440944082.db2.gz WTJPVCIMSRSYBK-GOSISDBHSA-N 2 0 349.494 3.062 20 0 EGADRP Cc1cc2[nH]ccc2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)[nH+]1 ZINC001164725883 720393822 /nfs/dbraw/zinc/39/38/22/720393822.db2.gz OBJSNXUNYOXVRL-OALUTQOASA-N 2 0 333.439 3.120 20 0 EGADRP Cc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)cc(N2CCCC2)[nH+]1 ZINC001165046813 721966034 /nfs/dbraw/zinc/96/60/34/721966034.db2.gz PCTQBVTWDRGNIZ-GOSISDBHSA-N 2 0 343.519 3.230 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(I)cc1 ZINC000051694177 214101274 /nfs/dbraw/zinc/10/12/74/214101274.db2.gz XHTGZOFTJBKLOI-GWMXKSKGSA-N 2 0 344.240 3.212 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1cc(F)ccc1F ZINC000191608150 529597466 /nfs/dbraw/zinc/59/74/66/529597466.db2.gz WIRLJVQPESCVGB-IBGZPJMESA-N 2 0 339.474 3.422 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)s1 ZINC000159209554 529721682 /nfs/dbraw/zinc/72/16/82/529721682.db2.gz NIABZKAZEPAINE-HNNXBMFYSA-N 2 0 344.528 3.308 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177969170 232044970 /nfs/dbraw/zinc/04/49/70/232044970.db2.gz OCIXGJFOVCRRSQ-DBXWQHBBSA-N 2 0 329.532 3.012 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3ccccc23)C1 ZINC000181142271 234095896 /nfs/dbraw/zinc/09/58/96/234095896.db2.gz YGOPYHMXZNPWDI-GOSISDBHSA-N 2 0 333.435 3.414 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354421485 283208110 /nfs/dbraw/zinc/20/81/10/283208110.db2.gz FZKPVUUZAQOXBQ-QZTJIDSGSA-N 2 0 325.541 3.220 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344694735 283208983 /nfs/dbraw/zinc/20/89/83/283208983.db2.gz DMUAECODEDEIIH-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000193931233 240366474 /nfs/dbraw/zinc/36/64/74/240366474.db2.gz LCVAFFPNTWAMKX-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1Cn1cccn1 ZINC000132163721 223306781 /nfs/dbraw/zinc/30/67/81/223306781.db2.gz COJWFQMAWMVTJO-INIZCTEOSA-N 2 0 344.503 3.178 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000230046688 242225302 /nfs/dbraw/zinc/22/53/02/242225302.db2.gz MMXABYFBSLXGOK-TUKIKUTGSA-N 2 0 327.241 3.147 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC(C)(C)C ZINC000249774528 296135653 /nfs/dbraw/zinc/13/56/53/296135653.db2.gz VKLOGYLSFVAINL-DLBZAZTESA-N 2 0 345.531 3.454 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000262339080 244931704 /nfs/dbraw/zinc/93/17/04/244931704.db2.gz ZZWZKOPURFAAPP-CGTJXYLNSA-N 2 0 349.906 3.111 20 0 EGADRP C[C@@H]1[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC000377560526 169042459 /nfs/dbraw/zinc/04/24/59/169042459.db2.gz GKTJGARGMQEDBT-PWIZWCRZSA-N 2 0 339.483 3.304 20 0 EGADRP C[N@@H+](Cc1ccccc1OCc1cccnc1)CC1CC[NH+](C)CC1 ZINC000093089152 218192750 /nfs/dbraw/zinc/19/27/50/218192750.db2.gz GGWVRESLPCKGRE-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000093132949 218195411 /nfs/dbraw/zinc/19/54/11/218195411.db2.gz XZCKZNXKKBOLPS-QGZVFWFLSA-N 2 0 341.499 3.207 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133113 218195836 /nfs/dbraw/zinc/19/58/36/218195836.db2.gz RIMSHAJZYXUXBS-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093372848 218219974 /nfs/dbraw/zinc/21/99/74/218219974.db2.gz UJDMZHBFJBEJGQ-UXHICEINSA-N 2 0 347.547 3.316 20 0 EGADRP COCCOc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000093688690 218242215 /nfs/dbraw/zinc/24/22/15/218242215.db2.gz AQJJZRCDYXCJDU-UHFFFAOYSA-N 2 0 334.504 3.266 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000268801362 252255066 /nfs/dbraw/zinc/25/50/66/252255066.db2.gz QFMZPQUXKVTCJR-RBUKOAKNSA-N 2 0 345.531 3.296 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)C[NH+]1CCCCC1 ZINC000268801361 252256149 /nfs/dbraw/zinc/25/61/49/252256149.db2.gz QFMZPQUXKVTCJR-OALUTQOASA-N 2 0 345.531 3.296 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000268797665 252250219 /nfs/dbraw/zinc/25/02/19/252250219.db2.gz GRZYNSDSIDQRKY-HZPDHXFCSA-N 2 0 344.503 3.351 20 0 EGADRP CC[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000345210171 285095080 /nfs/dbraw/zinc/09/50/80/285095080.db2.gz QOWWKWAURKVVOM-OAHLLOKOSA-N 2 0 338.879 3.465 20 0 EGADRP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000154084099 224200690 /nfs/dbraw/zinc/20/06/90/224200690.db2.gz OBGFAOAMRGHWIF-LPHOPBHVSA-N 2 0 345.487 3.174 20 0 EGADRP C[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]C1 ZINC000269373092 255571498 /nfs/dbraw/zinc/57/14/98/255571498.db2.gz YZGVZCXWHFHJQY-HXUWFJFHSA-N 2 0 329.488 3.043 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000178173646 533457230 /nfs/dbraw/zinc/45/72/30/533457230.db2.gz RQTBOZNFIKJUAF-MRXNPFEDSA-N 2 0 340.467 3.413 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000236906937 141001273 /nfs/dbraw/zinc/00/12/73/141001273.db2.gz JDRBFKQJHJCDBK-MSOLQXFVSA-N 2 0 345.531 3.170 20 0 EGADRP C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC[NH2+]C1 ZINC000237568025 141008529 /nfs/dbraw/zinc/00/85/29/141008529.db2.gz RLMCEFGAJRZDFY-NRFANRHFSA-N 2 0 343.515 3.069 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)CCSc3ccccc3)C2)CC1 ZINC000246760719 141033236 /nfs/dbraw/zinc/03/32/36/141033236.db2.gz YCPWHHAPVYXAEE-MOPGFXCFSA-N 2 0 347.572 3.269 20 0 EGADRP C[C@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000269083890 141059922 /nfs/dbraw/zinc/05/99/22/141059922.db2.gz PDFWAEPOSAEXBH-BWPNAZKDSA-N 2 0 327.516 3.254 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346219546 141183507 /nfs/dbraw/zinc/18/35/07/141183507.db2.gz MYSOBYPUGNCLIP-FQEVSTJZSA-N 2 0 341.499 3.476 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1OC ZINC000347904539 141212984 /nfs/dbraw/zinc/21/29/84/141212984.db2.gz BNBWTNWIEYMQCD-MJGOQNOKSA-N 2 0 344.499 3.461 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)CCn1cccn1)N1CCc2ccccc2C1 ZINC000353354683 141294088 /nfs/dbraw/zinc/29/40/88/141294088.db2.gz PZVHEKBPJYHLQK-WIYYLYMNSA-N 2 0 340.515 3.334 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+](C)C(C)C)cc1)C(C)C ZINC000356816894 141347935 /nfs/dbraw/zinc/34/79/35/141347935.db2.gz RPXMKBVKWLEGTE-QGZVFWFLSA-N 2 0 333.520 3.375 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H]4C4CC4)[C@@H]3C2)cc1 ZINC000356825752 141349469 /nfs/dbraw/zinc/34/94/69/141349469.db2.gz AQFIAZWMMYSGGM-LUYSREMJSA-N 2 0 326.484 3.054 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000356834555 141351300 /nfs/dbraw/zinc/35/13/00/141351300.db2.gz BSPNMGPPTFCCFQ-ICSRJNTNSA-N 2 0 346.515 3.108 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000185431616 144112217 /nfs/dbraw/zinc/11/22/17/144112217.db2.gz DLSRHSAJHBXXOQ-GOSISDBHSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN(Cc2ccccc2)C1 ZINC000344723524 144215584 /nfs/dbraw/zinc/21/55/84/144215584.db2.gz KWJAJWSSBIBESP-ICSRJNTNSA-N 2 0 329.532 3.219 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@H]12 ZINC000351477553 144266372 /nfs/dbraw/zinc/26/63/72/144266372.db2.gz NQUAIGSTNIRLEF-YSIASYRMSA-N 2 0 349.478 3.351 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000262661286 292202485 /nfs/dbraw/zinc/20/24/85/292202485.db2.gz NSRIBGMGQFBODX-AZUAARDMSA-N 2 0 343.515 3.109 20 0 EGADRP CC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000116396345 152058427 /nfs/dbraw/zinc/05/84/27/152058427.db2.gz YLGJDPRJEDMMOZ-QZTJIDSGSA-N 2 0 333.520 3.037 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000120211015 152259900 /nfs/dbraw/zinc/25/99/00/152259900.db2.gz URNZMXPIJGLCAA-LEWJYISDSA-N 2 0 330.516 3.034 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000122121076 152392244 /nfs/dbraw/zinc/39/22/44/152392244.db2.gz WJCMCZAFETYUSV-UHFFFAOYSA-N 2 0 325.522 3.022 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000192923866 153266567 /nfs/dbraw/zinc/26/65/67/153266567.db2.gz IMYZJWADVRBEKI-IBGZPJMESA-N 2 0 338.451 3.070 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135798 153382189 /nfs/dbraw/zinc/38/21/89/153382189.db2.gz KQAPCBTWXPHOKB-WMZOPIPTSA-N 2 0 332.488 3.218 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000195137220 153383110 /nfs/dbraw/zinc/38/31/10/153383110.db2.gz FTEMRRXPYBOORZ-HAGHYFMRSA-N 2 0 328.500 3.302 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337286261 154260553 /nfs/dbraw/zinc/26/05/53/154260553.db2.gz KLKOUSNJAXJWOA-RZXSNQJFSA-N 2 0 343.515 3.075 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCC23CCC3)[C@@H](c2ccccc2)C1 ZINC000337402678 154334437 /nfs/dbraw/zinc/33/44/37/154334437.db2.gz QPZXEACHHMUGKT-WOJBJXKFSA-N 2 0 327.516 3.288 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000337403357 154334853 /nfs/dbraw/zinc/33/48/53/154334853.db2.gz RYYSZDQHUFFUBW-CGTJXYLNSA-N 2 0 332.488 3.160 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000346810762 156146304 /nfs/dbraw/zinc/14/63/04/156146304.db2.gz AOOPHRXHSHGZBZ-WMZOPIPTSA-N 2 0 331.504 3.106 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(C)C ZINC000346848905 156162852 /nfs/dbraw/zinc/16/28/52/156162852.db2.gz FOMFSRQGRWTBGJ-OKZBNKHCSA-N 2 0 332.488 3.289 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000346995431 156236329 /nfs/dbraw/zinc/23/63/29/156236329.db2.gz BYPCXLHIWCNWIK-QGZVFWFLSA-N 2 0 346.425 3.319 20 0 EGADRP FC(F)(F)c1csc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000347003444 156241117 /nfs/dbraw/zinc/24/11/17/156241117.db2.gz LKTFJZLBROOQLH-RYUDHWBXSA-N 2 0 333.423 3.341 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)cc1F ZINC000348919783 156287727 /nfs/dbraw/zinc/28/77/27/156287727.db2.gz HKCPGAUNRVRIHW-UHFFFAOYSA-N 2 0 329.891 3.185 20 0 EGADRP CC(C)COc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000349060890 156338823 /nfs/dbraw/zinc/33/88/23/156338823.db2.gz HDPQOIUCMZPZDP-UHFFFAOYSA-N 2 0 347.547 3.179 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c1)O[C@H](C)C2 ZINC000349131020 156363581 /nfs/dbraw/zinc/36/35/81/156363581.db2.gz PDJCVHDARDTVKV-NVXWUHKLSA-N 2 0 344.499 3.182 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000081333272 161836510 /nfs/dbraw/zinc/83/65/10/161836510.db2.gz DOLIXAKBAUSPRO-UYAOXDASSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccc(O)c3)CC2)C[C@H](C)O1 ZINC000093844395 162031206 /nfs/dbraw/zinc/03/12/06/162031206.db2.gz TVSSIYLAOHRBQL-IRXDYDNUSA-N 2 0 332.488 3.104 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107368676 162066141 /nfs/dbraw/zinc/06/61/41/162066141.db2.gz ZTBWWFSFKSCSPU-FQEVSTJZSA-N 2 0 329.532 3.196 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000125387476 162271444 /nfs/dbraw/zinc/27/14/44/162271444.db2.gz YNUINXMHGNZBSV-MRXNPFEDSA-N 2 0 329.488 3.196 20 0 EGADRP COC(=O)c1ccc(F)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000248408556 163001668 /nfs/dbraw/zinc/00/16/68/163001668.db2.gz VPWCEZWYPNDWKN-HNAYVOBHSA-N 2 0 346.446 3.061 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@@H]5OCC[C@@H]54)[C@@H]3C2)cc1 ZINC000248411333 163001951 /nfs/dbraw/zinc/00/19/51/163001951.db2.gz ICQYBUFWEZXHNB-JVTHYKSUSA-N 2 0 340.511 3.444 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000248909175 163045999 /nfs/dbraw/zinc/04/59/99/163045999.db2.gz ZLWFSCHYEKYSDD-UYAOXDASSA-N 2 0 344.547 3.004 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248969250 163048085 /nfs/dbraw/zinc/04/80/85/163048085.db2.gz CGUJRMAGUZCWFB-JRSUCEMESA-N 2 0 328.500 3.038 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCCC1 ZINC000337278679 163192611 /nfs/dbraw/zinc/19/26/11/163192611.db2.gz SZQHWKJSWDOQNF-HNNXBMFYSA-N 2 0 337.895 3.393 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338606877 163290059 /nfs/dbraw/zinc/29/00/59/163290059.db2.gz NBUMJBFVMBCZSP-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP COC(=O)c1occc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000343710582 164017587 /nfs/dbraw/zinc/01/75/87/164017587.db2.gz KAJGLPFYGXOPAX-UHFFFAOYSA-N 2 0 342.439 3.068 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343921742 164066999 /nfs/dbraw/zinc/06/69/99/164066999.db2.gz DTVKAFUICPBOQS-IBGZPJMESA-N 2 0 325.456 3.108 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000343991288 164078514 /nfs/dbraw/zinc/07/85/14/164078514.db2.gz PXWWOYSFAVOWEN-PKOBYXMFSA-N 2 0 331.504 3.471 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCCS2)CC1 ZINC000344324926 164156768 /nfs/dbraw/zinc/15/67/68/164156768.db2.gz LHQZUBCUGQQQMJ-GOSISDBHSA-N 2 0 333.545 3.204 20 0 EGADRP CC1CCC(N(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)C2CC2)CC1 ZINC000354852667 166048491 /nfs/dbraw/zinc/04/84/91/166048491.db2.gz NQZSHBQWLYWZLR-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CCOc1cccc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354882863 166055021 /nfs/dbraw/zinc/05/50/21/166055021.db2.gz QIMMUMYCZNKXTJ-UHFFFAOYSA-N 2 0 343.446 3.448 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C[NH+](C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000350953019 165085988 /nfs/dbraw/zinc/08/59/88/165085988.db2.gz UOYFFVURSZDRHU-INIZCTEOSA-N 2 0 349.494 3.009 20 0 EGADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000336865709 287138945 /nfs/dbraw/zinc/13/89/45/287138945.db2.gz FLBLDUFWMOFRDH-ZDUSSCGKSA-N 2 0 328.403 3.179 20 0 EGADRP CCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000355207713 166133576 /nfs/dbraw/zinc/13/35/76/166133576.db2.gz XZGZQTFSGQLWLZ-HXUWFJFHSA-N 2 0 338.499 3.149 20 0 EGADRP Cn1cnc2cc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000355216836 166137831 /nfs/dbraw/zinc/13/78/31/166137831.db2.gz JKGJEOKLJCVSIB-IBGZPJMESA-N 2 0 334.467 3.185 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000355409434 166188430 /nfs/dbraw/zinc/18/84/30/166188430.db2.gz IIJGCPUEKBQJAT-ROUUACIJSA-N 2 0 343.515 3.162 20 0 EGADRP Cc1[nH+]ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1Cl ZINC000355684010 166282362 /nfs/dbraw/zinc/28/23/62/166282362.db2.gz OLLVHWLAVFAAFV-KRWDZBQOSA-N 2 0 345.874 3.168 20 0 EGADRP c1csc(-c2noc(CCC[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000357091608 166582294 /nfs/dbraw/zinc/58/22/94/166582294.db2.gz SMDAXJHBFBETMF-HNNXBMFYSA-N 2 0 346.500 3.052 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000357340738 166652387 /nfs/dbraw/zinc/65/23/87/166652387.db2.gz BJHIZFMCGBWDKL-TZIWHRDSSA-N 2 0 345.531 3.122 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]C[C@H]2CC=CCC2)[C@H](c2ccccc2)C1 ZINC000359080014 167061720 /nfs/dbraw/zinc/06/17/20/167061720.db2.gz DCUDWHJAQIBFRZ-FPOVZHCZSA-N 2 0 327.516 3.311 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000359680182 167207456 /nfs/dbraw/zinc/20/74/56/167207456.db2.gz YVQQXIIHDHYIQA-FQEVSTJZSA-N 2 0 346.515 3.082 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000359805822 167237271 /nfs/dbraw/zinc/23/72/71/167237271.db2.gz ZEUUEFTWPVHRNV-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000360720238 167397955 /nfs/dbraw/zinc/39/79/55/167397955.db2.gz XZXIECSSQIHKPD-NQIIRXRSSA-N 2 0 329.532 3.492 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3csc(Cl)c3Cl)C2)CC1 ZINC000366782559 168139837 /nfs/dbraw/zinc/13/98/37/168139837.db2.gz WSJJUUWWORMWPB-LBPRGKRZSA-N 2 0 348.343 3.313 20 0 EGADRP CC[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000366951331 168160011 /nfs/dbraw/zinc/16/00/11/168160011.db2.gz IVVZQEISAWXYGF-WOJBJXKFSA-N 2 0 326.488 3.373 20 0 EGADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000367552065 168241080 /nfs/dbraw/zinc/24/10/80/168241080.db2.gz MMVSJZZGSCBFME-LILSUDLASA-N 2 0 342.527 3.285 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000151153887 287265387 /nfs/dbraw/zinc/26/53/87/287265387.db2.gz OGQKSEAGCNOQAI-XLIONFOSSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC[N@@H+]1C ZINC000159272255 225184579 /nfs/dbraw/zinc/18/45/79/225184579.db2.gz WDWYYRAJZJADEX-YOEHRIQHSA-N 2 0 327.428 3.104 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[N@@H+]1C ZINC000230975529 266205289 /nfs/dbraw/zinc/20/52/89/266205289.db2.gz ZLTUMOJZTDZEFX-LSDHHAIUSA-N 2 0 327.513 3.094 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3OC)[C@H](C)C1 ZINC000268880261 266285035 /nfs/dbraw/zinc/28/50/35/266285035.db2.gz HYOODXOECHCIQK-LSTHTHJFSA-N 2 0 346.515 3.409 20 0 EGADRP Cc1ccncc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000269650999 266334378 /nfs/dbraw/zinc/33/43/78/266334378.db2.gz VGHMSEYYNHLVOS-ROUUACIJSA-N 2 0 331.504 3.101 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000269677445 266340331 /nfs/dbraw/zinc/34/03/31/266340331.db2.gz MJIVCRBKZKUBPI-UHFFFAOYSA-N 2 0 348.535 3.010 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000269896224 266377612 /nfs/dbraw/zinc/37/76/12/266377612.db2.gz XQSANUAEYWOLCJ-UHFFFAOYSA-N 2 0 331.287 3.318 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(C)c1 ZINC000272487723 266853757 /nfs/dbraw/zinc/85/37/57/266853757.db2.gz BWEJIVJDRDVKLA-QGZVFWFLSA-N 2 0 331.504 3.342 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000273266423 267008579 /nfs/dbraw/zinc/00/85/79/267008579.db2.gz ULZPKXPARQPRGQ-INIZCTEOSA-N 2 0 331.504 3.430 20 0 EGADRP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000274599348 267261182 /nfs/dbraw/zinc/26/11/82/267261182.db2.gz HHQLGMQGLVJYIR-JXFKEZNVSA-N 2 0 339.483 3.169 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274779562 267285762 /nfs/dbraw/zinc/28/57/62/267285762.db2.gz OSRDNQDHSJNOPU-OFOKGCAXSA-N 2 0 340.511 3.444 20 0 EGADRP Cc1n[nH]cc1CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274897679 267302984 /nfs/dbraw/zinc/30/29/84/267302984.db2.gz KPLKCKOKJDVBST-JXFKEZNVSA-N 2 0 326.488 3.151 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275584382 267385476 /nfs/dbraw/zinc/38/54/76/267385476.db2.gz NWTUXWAYNKJHIC-PMACEKPBSA-N 2 0 330.516 3.223 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000278349892 267992633 /nfs/dbraw/zinc/99/26/33/267992633.db2.gz HUATURPAUZTHQQ-IBGZPJMESA-N 2 0 348.556 3.400 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000278471382 268020270 /nfs/dbraw/zinc/02/02/70/268020270.db2.gz NSPNISXDZBCMIE-GOSISDBHSA-N 2 0 330.472 3.373 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278486671 268024243 /nfs/dbraw/zinc/02/42/43/268024243.db2.gz PFYCEAQJWDVEIY-HNNXBMFYSA-N 2 0 330.472 3.200 20 0 EGADRP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000278485639 268024311 /nfs/dbraw/zinc/02/43/11/268024311.db2.gz BAMZWUSRXSLSIF-CWJKEVGVSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000278499823 268025773 /nfs/dbraw/zinc/02/57/73/268025773.db2.gz QKGGHZJCLJEUIM-HNNXBMFYSA-N 2 0 330.472 3.373 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000154919955 274218753 /nfs/dbraw/zinc/21/87/53/274218753.db2.gz GWOQSQDTOZAUKP-STQMWFEESA-N 2 0 330.303 3.280 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)N1CC[NH+](C)CC1 ZINC000127843325 274225921 /nfs/dbraw/zinc/22/59/21/274225921.db2.gz RLBZBLWEZBREFY-LRDDRELGSA-N 2 0 342.314 3.206 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000177346149 275200957 /nfs/dbraw/zinc/20/09/57/275200957.db2.gz OHICFLZNAQQRHY-MRXNPFEDSA-N 2 0 341.540 3.342 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180716419 275203745 /nfs/dbraw/zinc/20/37/45/275203745.db2.gz OVKMMUCYHDXTMT-GQGLESIBSA-N 2 0 339.524 3.285 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000189030637 275219486 /nfs/dbraw/zinc/21/94/86/275219486.db2.gz FODRRLHCZBPWHE-VSKRKVRLSA-N 2 0 343.559 3.259 20 0 EGADRP CSc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000194883664 275229261 /nfs/dbraw/zinc/22/92/61/275229261.db2.gz ZYBMWSHFSVYECU-INIZCTEOSA-N 2 0 335.561 3.333 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000278626535 275260379 /nfs/dbraw/zinc/26/03/79/275260379.db2.gz HSVKPCRSAQAWEY-HNNXBMFYSA-N 2 0 334.479 3.477 20 0 EGADRP COC(=O)c1coc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000278828827 275278683 /nfs/dbraw/zinc/27/86/83/275278683.db2.gz TUJSMVCUKKKIAW-CQSZACIVSA-N 2 0 343.427 3.028 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000279797101 275360373 /nfs/dbraw/zinc/36/03/73/275360373.db2.gz DHKBXUSSKSCELA-NRFANRHFSA-N 2 0 331.548 3.434 20 0 EGADRP CCSCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000282124888 275604468 /nfs/dbraw/zinc/60/44/68/275604468.db2.gz UZVUCPSFYWSZQL-UHFFFAOYSA-N 2 0 335.561 3.450 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)C1 ZINC000286969862 276064655 /nfs/dbraw/zinc/06/46/55/276064655.db2.gz IIGNRTHCXVQRBX-DZFGPLHGSA-N 2 0 330.516 3.223 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000173895260 276072803 /nfs/dbraw/zinc/07/28/03/276072803.db2.gz PJHAGAUCONSULF-ZDUSSCGKSA-N 2 0 341.858 3.081 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000288511437 276222090 /nfs/dbraw/zinc/22/20/90/276222090.db2.gz IVBWIKHYSIIGSO-UHFFFAOYSA-N 2 0 327.472 3.264 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289148659 276297023 /nfs/dbraw/zinc/29/70/23/276297023.db2.gz GDTGYRHKEPTZMJ-UZLBHIALSA-N 2 0 341.499 3.372 20 0 EGADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000289200864 276303597 /nfs/dbraw/zinc/30/35/97/276303597.db2.gz VLHUVHGNEKXWHK-QGZVFWFLSA-N 2 0 333.476 3.312 20 0 EGADRP CC[N@H+](Cc1cnc(N(C)C)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289433719 276338591 /nfs/dbraw/zinc/33/85/91/276338591.db2.gz LEFMIFXICMKVRD-UHFFFAOYSA-N 2 0 332.517 3.293 20 0 EGADRP CO[C@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000291089350 276587565 /nfs/dbraw/zinc/58/75/65/276587565.db2.gz WYFJLGXIVCHJKB-OAQYLSRUSA-N 2 0 345.531 3.122 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246128797 276784880 /nfs/dbraw/zinc/78/48/80/276784880.db2.gz DYHNPNRKSAQVJZ-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP COc1cc2c(c(C[NH2+]CCCCC[NH+]3CCCC3)c1)O[C@H](C)C2 ZINC000339499022 277842984 /nfs/dbraw/zinc/84/29/84/277842984.db2.gz BFQSMPPLPFEVAA-MRXNPFEDSA-N 2 0 332.488 3.374 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000375612625 278331775 /nfs/dbraw/zinc/33/17/75/278331775.db2.gz NWWUBQMLVRLEBZ-GOEBONIOSA-N 2 0 336.442 3.276 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000373507908 279011187 /nfs/dbraw/zinc/01/11/87/279011187.db2.gz CUXRDNGOCCSQFU-QGZVKYPTSA-N 2 0 343.515 3.059 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000357669116 279137901 /nfs/dbraw/zinc/13/79/01/279137901.db2.gz WHECZACSKMZYHW-KRWDZBQOSA-N 2 0 348.535 3.056 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263055463 279607414 /nfs/dbraw/zinc/60/74/14/279607414.db2.gz UWFJOOYMGYPSOM-OZOXKJRCSA-N 2 0 343.515 3.236 20 0 EGADRP Cc1ccc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)ccc2n1 ZINC000375356393 281142318 /nfs/dbraw/zinc/14/23/18/281142318.db2.gz NJLWDBWXKLJNQO-CEWLAPEOSA-N 2 0 339.483 3.227 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000375621407 289374489 /nfs/dbraw/zinc/37/44/89/289374489.db2.gz SHKLPNYMVRSECS-QFBILLFUSA-N 2 0 339.524 3.050 20 0 EGADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178037983 293244952 /nfs/dbraw/zinc/24/49/52/293244952.db2.gz ZAXROGBYEAVTIQ-MJBXVCDLSA-N 2 0 325.522 3.300 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413710692 309044468 /nfs/dbraw/zinc/04/44/68/309044468.db2.gz IJDJVZTVEIGNGN-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C1=CC[N@H+](C)CC1 ZINC000413715889 309044656 /nfs/dbraw/zinc/04/46/56/309044656.db2.gz LBNYYZNFPHYRAZ-KRWDZBQOSA-N 2 0 341.499 3.053 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(OC(F)F)c2)C[C@H](C)O1 ZINC000057969335 307347680 /nfs/dbraw/zinc/34/76/80/307347680.db2.gz IBTIPSCLEQVHDC-GJZGRUSLSA-N 2 0 342.430 3.267 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000081023303 307436962 /nfs/dbraw/zinc/43/69/62/307436962.db2.gz IFYZXLRTSGDPSV-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCOC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000127274896 307582178 /nfs/dbraw/zinc/58/21/78/307582178.db2.gz LFBCUGHSUGGFBM-CVEARBPZSA-N 2 0 337.483 3.043 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1 ZINC000414082167 309059907 /nfs/dbraw/zinc/05/99/07/309059907.db2.gz FMKNHHXGJBIIJI-DLBZAZTESA-N 2 0 332.488 3.155 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)C[NH+]1CCCC1 ZINC000414086022 309060237 /nfs/dbraw/zinc/06/02/37/309060237.db2.gz ZEASGAQBJWOSPQ-QXAKKESOSA-N 2 0 336.907 3.413 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000414095645 309060711 /nfs/dbraw/zinc/06/07/11/309060711.db2.gz GWMCTINKROWGKR-KRWDZBQOSA-N 2 0 333.520 3.369 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414112293 309061545 /nfs/dbraw/zinc/06/15/45/309061545.db2.gz XTAPXSDSBMNUCB-ZIFCJYIRSA-N 2 0 326.488 3.371 20 0 EGADRP CSC1(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000414169375 309064517 /nfs/dbraw/zinc/06/45/17/309064517.db2.gz VLXSGQZHYAZZBX-LSDHHAIUSA-N 2 0 328.566 3.386 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000155610629 307817548 /nfs/dbraw/zinc/81/75/48/307817548.db2.gz IHAGAJGBQPAJDT-WBVHZDCISA-N 2 0 329.488 3.418 20 0 EGADRP Cc1occc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000414292484 309070980 /nfs/dbraw/zinc/07/09/80/309070980.db2.gz LOEBSVRYPQBOKI-HOTGVXAUSA-N 2 0 328.456 3.487 20 0 EGADRP CC(C)CC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414325067 309072952 /nfs/dbraw/zinc/07/29/52/309072952.db2.gz LMLJAONFJATSKD-KRWDZBQOSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000163538322 307923068 /nfs/dbraw/zinc/92/30/68/307923068.db2.gz RZAQKOMHZJWFEA-HNNXBMFYSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000247070543 307988830 /nfs/dbraw/zinc/98/88/30/307988830.db2.gz MZGHOMDRIRYADB-DBVUQKKJSA-N 2 0 334.504 3.219 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000248166494 308000137 /nfs/dbraw/zinc/00/01/37/308000137.db2.gz TUDMCRAJMUXREK-DOTOQJQBSA-N 2 0 334.504 3.301 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248386013 308001388 /nfs/dbraw/zinc/00/13/88/308001388.db2.gz KUUHJGDENSIKBI-GVDBMIGSSA-N 2 0 339.524 3.238 20 0 EGADRP CCOC(=O)CCCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248400946 308002146 /nfs/dbraw/zinc/00/21/46/308002146.db2.gz RDZMKMOKSIVXHJ-WGMWDUQUSA-N 2 0 346.515 3.466 20 0 EGADRP CC[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000248726323 308010156 /nfs/dbraw/zinc/01/01/56/308010156.db2.gz NDJKXXIUBMSGEX-DYESRHJHSA-N 2 0 343.515 3.209 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248817987 308012160 /nfs/dbraw/zinc/01/21/60/308012160.db2.gz LDNJSAKVGZLDQO-LWASTNQWSA-N 2 0 344.499 3.074 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000248841037 308013135 /nfs/dbraw/zinc/01/31/35/308013135.db2.gz QQYLAYSEEXOHSW-IZZBFERCSA-N 2 0 346.515 3.276 20 0 EGADRP C[C@@H](CCC1CC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248972618 308015976 /nfs/dbraw/zinc/01/59/76/308015976.db2.gz GZEMLRNYGKSKOE-OXJNMPFZSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000249190386 308021002 /nfs/dbraw/zinc/02/10/02/308021002.db2.gz NNYXJJROKHKFCU-FKBYEOEOSA-N 2 0 343.559 3.358 20 0 EGADRP Clc1ccc(/C=C\C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000255122909 308041043 /nfs/dbraw/zinc/04/10/43/308041043.db2.gz HROYYBXROYHLOC-UPHRSURJSA-N 2 0 334.891 3.397 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292881316 308076063 /nfs/dbraw/zinc/07/60/63/308076063.db2.gz DZNNBZFLFLZVPY-IBGZPJMESA-N 2 0 347.528 3.155 20 0 EGADRP C[NH+](C)Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000414504534 309085199 /nfs/dbraw/zinc/08/51/99/309085199.db2.gz YFZYOVUUDOOCFY-UHFFFAOYSA-N 2 0 328.435 3.363 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)cc1)C(C)C ZINC000294017926 308183252 /nfs/dbraw/zinc/18/32/52/308183252.db2.gz YUMZNKNJROMFNU-NRFANRHFSA-N 2 0 343.515 3.085 20 0 EGADRP Cc1cnccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000294829646 308261909 /nfs/dbraw/zinc/26/19/09/308261909.db2.gz NHRZIGURGVZJQP-ROUUACIJSA-N 2 0 331.504 3.101 20 0 EGADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295108117 308292016 /nfs/dbraw/zinc/29/20/16/308292016.db2.gz LHICVOMVXPFGFD-WMLDXEAASA-N 2 0 344.421 3.073 20 0 EGADRP COCC[N@H+](C)CCCN[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296012301 308384478 /nfs/dbraw/zinc/38/44/78/308384478.db2.gz OWVPXEPQTQROFB-QGZVFWFLSA-N 2 0 343.471 3.493 20 0 EGADRP CC(C)c1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414716333 309096970 /nfs/dbraw/zinc/09/69/70/309096970.db2.gz ZUVHXVSNZSYLMU-YLJYHZDGSA-N 2 0 343.515 3.144 20 0 EGADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC(F)F ZINC000414670015 309094698 /nfs/dbraw/zinc/09/46/98/309094698.db2.gz CMQFRSZFAIGVPM-GXTWGEPZSA-N 2 0 328.403 3.117 20 0 EGADRP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)c1ccccc1 ZINC000414673178 309094872 /nfs/dbraw/zinc/09/48/72/309094872.db2.gz IPPWLZDSRHAYKM-HKUYNNGSSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414723496 309097542 /nfs/dbraw/zinc/09/75/42/309097542.db2.gz POZILJIGTZSCNM-JFIYKMOQSA-N 3 0 333.545 3.080 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414745544 309098578 /nfs/dbraw/zinc/09/85/78/309098578.db2.gz KZQRNLZSNAHELF-NWDGAFQWSA-N 2 0 329.257 3.408 20 0 EGADRP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766932 309099547 /nfs/dbraw/zinc/09/95/47/309099547.db2.gz IVBPFPVBOMRTNP-BGYRXZFFSA-N 2 0 329.532 3.076 20 0 EGADRP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766834 309099572 /nfs/dbraw/zinc/09/95/72/309099572.db2.gz IKOKDCYVGLNACN-HDICACEKSA-N 2 0 325.431 3.319 20 0 EGADRP Cc1cc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000414768816 309099703 /nfs/dbraw/zinc/09/97/03/309099703.db2.gz LJDBFNVCBGFRRT-UHFFFAOYSA-N 2 0 329.307 3.395 20 0 EGADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000414772211 309099951 /nfs/dbraw/zinc/09/99/51/309099951.db2.gz BKWDFIMBUYKBJG-MSOLQXFVSA-N 2 0 325.456 3.472 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414774455 309100144 /nfs/dbraw/zinc/10/01/44/309100144.db2.gz UTOLMINDIXWOJP-KRWDZBQOSA-N 2 0 342.462 3.141 20 0 EGADRP CSc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000414777912 309100514 /nfs/dbraw/zinc/10/05/14/309100514.db2.gz IOTLCERJUOMYCG-LSDHHAIUSA-N 2 0 348.512 3.001 20 0 EGADRP Brc1ccsc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784451 309100946 /nfs/dbraw/zinc/10/09/46/309100946.db2.gz RHIAFEPCXREWQN-RYUDHWBXSA-N 2 0 329.307 3.332 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414788136 309101267 /nfs/dbraw/zinc/10/12/67/309101267.db2.gz WIBINTIQPVTFIF-SZMVWBNQSA-N 2 0 334.479 3.334 20 0 EGADRP CCOc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000298251348 308597302 /nfs/dbraw/zinc/59/73/02/308597302.db2.gz DLUUOWUEYFUPLP-UHFFFAOYSA-N 2 0 329.419 3.378 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414793730 309101819 /nfs/dbraw/zinc/10/18/19/309101819.db2.gz DURKZQSJIOWYEK-AAEUAGOBSA-N 2 0 340.393 3.199 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414796580 309101952 /nfs/dbraw/zinc/10/19/52/309101952.db2.gz HUBCKDXKEFZBBW-DZGCQCFKSA-N 2 0 326.868 3.354 20 0 EGADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000298402083 308610969 /nfs/dbraw/zinc/61/09/69/308610969.db2.gz KCCVGYYVUQGXRC-INIZCTEOSA-N 2 0 339.483 3.029 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000414807406 309102913 /nfs/dbraw/zinc/10/29/13/309102913.db2.gz QYOCWQZJRYSMDL-OCCSQVGLSA-N 2 0 327.266 3.065 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414810976 309103047 /nfs/dbraw/zinc/10/30/47/309103047.db2.gz VTRXSAVBGOXQHZ-HKUYNNGSSA-N 2 0 325.456 3.364 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414825627 309104010 /nfs/dbraw/zinc/10/40/10/309104010.db2.gz HIWXSHPUTKPKJQ-CQSZACIVSA-N 2 0 346.393 3.116 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414826369 309104177 /nfs/dbraw/zinc/10/41/77/309104177.db2.gz VQHDDXRYUITKJE-YJBOKZPZSA-N 2 0 325.456 3.235 20 0 EGADRP Fc1ccc(COc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000414828785 309104202 /nfs/dbraw/zinc/10/42/02/309104202.db2.gz MVGKKKLWQHYMPS-GOSISDBHSA-N 2 0 328.431 3.494 20 0 EGADRP c1c(C[NH2+]CC[C@H]2CC[NH2+]C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000414835407 309104576 /nfs/dbraw/zinc/10/45/76/309104576.db2.gz RROOBNFTZHRVSE-QGZVFWFLSA-N 2 0 347.466 3.024 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414846389 309105173 /nfs/dbraw/zinc/10/51/73/309105173.db2.gz FEKHWJKRLZBXRI-RRFJBIMHSA-N 2 0 337.895 3.343 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CC(C)C)c2ccccc2C)CC1 ZINC000411457220 308939897 /nfs/dbraw/zinc/93/98/97/308939897.db2.gz HIROYWFVJGNWTN-HXUWFJFHSA-N 2 0 345.531 3.272 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCc1cncs1 ZINC000411545903 308943607 /nfs/dbraw/zinc/94/36/07/308943607.db2.gz YPRFXOVOJUESRZ-HOTGVXAUSA-N 2 0 329.513 3.432 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412166174 308972576 /nfs/dbraw/zinc/97/25/76/308972576.db2.gz PFNGRUGXMFUPFU-VQTJNVASSA-N 2 0 343.515 3.275 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412166173 308972580 /nfs/dbraw/zinc/97/25/80/308972580.db2.gz PFNGRUGXMFUPFU-UXHICEINSA-N 2 0 343.515 3.275 20 0 EGADRP C[NH2+]CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414859053 309106034 /nfs/dbraw/zinc/10/60/34/309106034.db2.gz LXJXCOPTASYGKW-UHFFFAOYSA-N 2 0 334.467 3.298 20 0 EGADRP C[C@H]1CN(Cc2nccn2CC(F)(F)F)c2cc(F)ccc2C[NH2+]1 ZINC000414872758 309106550 /nfs/dbraw/zinc/10/65/50/309106550.db2.gz QBVFJAYPNGRFGP-NSHDSACASA-N 2 0 342.340 3.083 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414887789 309107500 /nfs/dbraw/zinc/10/75/00/309107500.db2.gz ZNXLJDKPAWSRGD-ZDUSSCGKSA-N 2 0 331.847 3.277 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414894999 309107850 /nfs/dbraw/zinc/10/78/50/309107850.db2.gz MHFONXOMQGIPBA-HNNXBMFYSA-N 2 0 340.496 3.487 20 0 EGADRP C[C@]1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[NH2+]C1 ZINC000414896461 309108023 /nfs/dbraw/zinc/10/80/23/309108023.db2.gz BXEHIJJAJDDDRG-FQEVSTJZSA-N 2 0 325.456 3.140 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414899663 309108168 /nfs/dbraw/zinc/10/81/68/309108168.db2.gz CQNBGZPIMDNBKT-BLLLJJGKSA-N 2 0 343.284 3.499 20 0 EGADRP CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414974789 309112297 /nfs/dbraw/zinc/11/22/97/309112297.db2.gz KQXLHQZBIKGJLG-UHFFFAOYSA-N 2 0 346.519 3.164 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OC ZINC000414990609 309113018 /nfs/dbraw/zinc/11/30/18/309113018.db2.gz ISJVCGGUCNPUPQ-TZMCWYRMSA-N 2 0 326.868 3.354 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414992562 309113214 /nfs/dbraw/zinc/11/32/14/309113214.db2.gz KRPGHKIGURNAJX-VQTJNVASSA-N 2 0 340.515 3.464 20 0 EGADRP Cn1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000415000954 309113646 /nfs/dbraw/zinc/11/36/46/309113646.db2.gz UJPRDAMJGIMZEP-ZFWWWQNUSA-N 2 0 332.879 3.348 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415005748 309113738 /nfs/dbraw/zinc/11/37/38/309113738.db2.gz PSFAHKXZIHSLCC-GOEBONIOSA-N 2 0 348.441 3.374 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000415011018 309114051 /nfs/dbraw/zinc/11/40/51/309114051.db2.gz VQSYBEJXSUHDAF-NVXWUHKLSA-N 2 0 335.923 3.412 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012347 309114265 /nfs/dbraw/zinc/11/42/65/309114265.db2.gz SJDKMNKGGOMPNX-VQTJNVASSA-N 3 0 329.532 3.122 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018874 309114700 /nfs/dbraw/zinc/11/47/00/309114700.db2.gz CZJXLBVHYGTXMI-JFIYKMOQSA-N 2 0 334.504 3.380 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000415026254 309115062 /nfs/dbraw/zinc/11/50/62/309115062.db2.gz SIDFDCHUMFFMKL-XCJLJZCSSA-N 2 0 329.532 3.394 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000415031143 309115435 /nfs/dbraw/zinc/11/54/35/309115435.db2.gz GNHKCAFXXWQVPV-DZGCQCFKSA-N 2 0 339.886 3.161 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000415040750 309116032 /nfs/dbraw/zinc/11/60/32/309116032.db2.gz PIBLURYJYRQWSX-NHYWBVRUSA-N 2 0 338.377 3.313 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057066 309117091 /nfs/dbraw/zinc/11/70/91/309117091.db2.gz TTZHQLOCMMUJHA-JBACZVJFSA-N 2 0 344.499 3.208 20 0 EGADRP Fc1ccc(CN2CCC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000415083953 309119131 /nfs/dbraw/zinc/11/91/31/309119131.db2.gz OKCREOFKNUHYDH-KRWDZBQOSA-N 2 0 339.886 3.033 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415104162 309120614 /nfs/dbraw/zinc/12/06/14/309120614.db2.gz GRHKQVWYYVQEIL-RTWAWAEBSA-N 2 0 346.515 3.440 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415120427 309121711 /nfs/dbraw/zinc/12/17/11/309121711.db2.gz FZMSCFUDIWWGDX-WFASDCNBSA-N 2 0 348.441 3.184 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Cl)c3F)CC2)C1 ZINC000415127800 309122373 /nfs/dbraw/zinc/12/23/73/309122373.db2.gz RKMXUPOYQRFACO-HOCLYGCPSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000415133224 309122912 /nfs/dbraw/zinc/12/29/12/309122912.db2.gz UYVPEZUQESFWJH-DLBZAZTESA-N 2 0 342.405 3.424 20 0 EGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415783418 309143704 /nfs/dbraw/zinc/14/37/04/309143704.db2.gz GAZUYJQZCGBOMS-MSOLQXFVSA-N 2 0 332.492 3.073 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415901364 309147044 /nfs/dbraw/zinc/14/70/44/309147044.db2.gz MSXHCFZIGFNVHM-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccco1 ZINC000415928799 309149335 /nfs/dbraw/zinc/14/93/35/309149335.db2.gz IFWZVLNLZYBTDZ-PBHICJAKSA-N 2 0 344.459 3.250 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000415931570 309149507 /nfs/dbraw/zinc/14/95/07/309149507.db2.gz MFQQJWLVRVMRKJ-SFHVURJKSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000415940053 309150194 /nfs/dbraw/zinc/15/01/94/309150194.db2.gz DHIXKFSNZKCSIL-UHFFFAOYSA-N 2 0 340.471 3.179 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+](C)C)cc1 ZINC000415964008 309151693 /nfs/dbraw/zinc/15/16/93/309151693.db2.gz VRGOGIOFMRGZMB-LJQANCHMSA-N 2 0 340.471 3.132 20 0 EGADRP CC[N@H+](CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)C ZINC000415977687 309152414 /nfs/dbraw/zinc/15/24/14/309152414.db2.gz XBKZXHQHQNUNLT-UHFFFAOYSA-N 2 0 346.397 3.016 20 0 EGADRP C[C@@H](CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000416196657 309163398 /nfs/dbraw/zinc/16/33/98/309163398.db2.gz HLZSDYNBOHBGGS-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP CCC(CC)(CNC(=O)N1CCC[C@H]([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417696211 309218458 /nfs/dbraw/zinc/21/84/58/309218458.db2.gz CDGIWXOUKWYMTG-WMZOPIPTSA-N 2 0 346.519 3.029 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000417699649 309218541 /nfs/dbraw/zinc/21/85/41/309218541.db2.gz HMMCMTFRGQQOGS-INIZCTEOSA-N 2 0 346.519 3.077 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000417702677 309218750 /nfs/dbraw/zinc/21/87/50/309218750.db2.gz KOJWFGPDLYCRCB-SOLBZPMBSA-N 2 0 346.519 3.027 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000417788571 309222267 /nfs/dbraw/zinc/22/22/67/309222267.db2.gz FTJXCISRHBKHEG-MRXNPFEDSA-N 2 0 334.508 3.014 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3COC(C)(C)C3)CC2)c1 ZINC000417856804 309225502 /nfs/dbraw/zinc/22/55/02/309225502.db2.gz NFRVGFGTBIWITD-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420266955 309278598 /nfs/dbraw/zinc/27/85/98/309278598.db2.gz WKJSESOIWBSYNX-OLZOCXBDSA-N 2 0 333.382 3.190 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000420300602 309280177 /nfs/dbraw/zinc/28/01/77/309280177.db2.gz UZHLECZGIYCCML-MRXNPFEDSA-N 2 0 325.456 3.220 20 0 EGADRP COC(=O)CC1(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000420301764 309280395 /nfs/dbraw/zinc/28/03/95/309280395.db2.gz AXMQKJKEIHESQP-MRXNPFEDSA-N 2 0 348.512 3.036 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420306862 309280831 /nfs/dbraw/zinc/28/08/31/309280831.db2.gz BCRXQQLYXKUWRD-SBHAEUEKSA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000420319407 309281848 /nfs/dbraw/zinc/28/18/48/309281848.db2.gz PHGDXNWVWYVXCM-CVEARBPZSA-N 2 0 331.485 3.074 20 0 EGADRP CC[C@H](C)[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420318284 309281894 /nfs/dbraw/zinc/28/18/94/309281894.db2.gz OILINXJOFLKCOH-HOTGVXAUSA-N 2 0 342.487 3.326 20 0 EGADRP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420317965 309281928 /nfs/dbraw/zinc/28/19/28/309281928.db2.gz NMDNEFMBNCNCBX-HZPDHXFCSA-N 2 0 337.458 3.033 20 0 EGADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420317964 309281955 /nfs/dbraw/zinc/28/19/55/309281955.db2.gz NMDNEFMBNCNCBX-HOTGVXAUSA-N 2 0 337.458 3.033 20 0 EGADRP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321229 309282187 /nfs/dbraw/zinc/28/21/87/309282187.db2.gz CNZLNWIBAPQNGP-NXHRZFHOSA-N 2 0 340.471 3.043 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000420327357 309282316 /nfs/dbraw/zinc/28/23/16/309282316.db2.gz YOIKMMDXBMERTB-SJORKVTESA-N 2 0 345.512 3.382 20 0 EGADRP CCOc1ccccc1C[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420325656 309282410 /nfs/dbraw/zinc/28/24/10/309282410.db2.gz WMONPHXIVHUDDE-GOSISDBHSA-N 2 0 328.456 3.268 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000420330767 309282582 /nfs/dbraw/zinc/28/25/82/309282582.db2.gz BRQKLIKDVXZKLD-QFBILLFUSA-N 2 0 329.488 3.094 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343823 309283506 /nfs/dbraw/zinc/28/35/06/309283506.db2.gz RMRGNCSBPVUBKU-PVAVHDDUSA-N 2 0 326.444 3.119 20 0 EGADRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000420359427 309284100 /nfs/dbraw/zinc/28/41/00/309284100.db2.gz KMEQJFQRAHMGEA-DLBZAZTESA-N 2 0 326.488 3.440 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000420371088 309284875 /nfs/dbraw/zinc/28/48/75/309284875.db2.gz KEWUCJZIHYQNJF-PXNSSMCTSA-N 2 0 328.456 3.487 20 0 EGADRP CCc1nc2ccccc2n1C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420376698 309285038 /nfs/dbraw/zinc/28/50/38/309285038.db2.gz QYRPEJRVGRVORI-MRXNPFEDSA-N 2 0 326.488 3.235 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCc3c(F)cccc3Cl)CC2)C1 ZINC000420389623 309285905 /nfs/dbraw/zinc/28/59/05/309285905.db2.gz MHBRUJQAUNJPCX-RDTXWAMCSA-N 2 0 340.870 3.240 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000420396645 309286231 /nfs/dbraw/zinc/28/62/31/309286231.db2.gz VSWBZKCSMXCWDQ-RLLQIKCJSA-N 2 0 332.463 3.421 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C[NH3+] ZINC000420417862 309287142 /nfs/dbraw/zinc/28/71/42/309287142.db2.gz WNDLCGZWHWZQCA-AEFFLSMTSA-N 2 0 334.467 3.418 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C)cc3C)CC2)CC1 ZINC000420974410 309305340 /nfs/dbraw/zinc/30/53/40/309305340.db2.gz DOWPOWCQOOIWJE-UHFFFAOYSA-N 2 0 329.532 3.295 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421371032 309321286 /nfs/dbraw/zinc/32/12/86/309321286.db2.gz XKLNUZWVLWREGA-SFTDATJTSA-N 2 0 328.500 3.422 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1OC ZINC000421376917 309321721 /nfs/dbraw/zinc/32/17/21/309321721.db2.gz RGNIPGIPNDOFPA-RWBZWWBESA-N 2 0 334.504 3.406 20 0 EGADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c(SC)cc1OC ZINC000421380702 309321859 /nfs/dbraw/zinc/32/18/59/309321859.db2.gz ZFJWQKNABBEAPH-UHFFFAOYSA-N 2 0 338.517 3.388 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000421679163 309334370 /nfs/dbraw/zinc/33/43/70/309334370.db2.gz HXVOEBNNSCEMDL-CTWPCTMYSA-N 2 0 331.504 3.059 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421820714 309341503 /nfs/dbraw/zinc/34/15/03/309341503.db2.gz NLRDJFCEYWFUQT-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP c1cnc2c(c1)CC[C@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000421844426 309342985 /nfs/dbraw/zinc/34/29/85/309342985.db2.gz OHCHJLATQQNJPZ-IBGZPJMESA-N 2 0 336.483 3.230 20 0 EGADRP Cc1c([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1ccccc1 ZINC000421879136 309344786 /nfs/dbraw/zinc/34/47/86/309344786.db2.gz OPDRLSYPJIAQFT-OOHWJJMZSA-N 2 0 327.476 3.099 20 0 EGADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000422543523 309361374 /nfs/dbraw/zinc/36/13/74/309361374.db2.gz SJWOMFLSIQXVKY-FQEVSTJZSA-N 2 0 339.483 3.002 20 0 EGADRP COc1sc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Br ZINC000422559452 309361658 /nfs/dbraw/zinc/36/16/58/309361658.db2.gz DAJDEZHUMUVXRC-MXWKQRLJSA-N 2 0 347.322 3.324 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1C[NH3+] ZINC000422631147 309362950 /nfs/dbraw/zinc/36/29/50/309362950.db2.gz FBUYXVUWRVOQHI-HLIPFELVSA-N 2 0 343.515 3.118 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422691770 309363334 /nfs/dbraw/zinc/36/33/34/309363334.db2.gz IYCWKBXJROXHCZ-HUUCEWRRSA-N 2 0 329.444 3.488 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000422711168 309364268 /nfs/dbraw/zinc/36/42/68/309364268.db2.gz MZRVPUPTEVJKDP-UYAOXDASSA-N 2 0 337.467 3.464 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccccc2)C2CCC2)CC[NH2+]CC1 ZINC000422719349 309364824 /nfs/dbraw/zinc/36/48/24/309364824.db2.gz QVMOALCLLZAZEH-APWZRJJASA-N 2 0 344.499 3.439 20 0 EGADRP CCc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422730823 309365594 /nfs/dbraw/zinc/36/55/94/309365594.db2.gz KLWMMURLPKHDJW-MHTWAQMVSA-N 2 0 329.532 3.362 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422734790 309365804 /nfs/dbraw/zinc/36/58/04/309365804.db2.gz CTQXHERYJJREQQ-NYVOZVTQSA-N 2 0 337.511 3.199 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[NH3+])CCCCC2)cc1OC ZINC000422738010 309366067 /nfs/dbraw/zinc/36/60/67/309366067.db2.gz YGEIDVAMLHPHCG-IAGOWNOFSA-N 2 0 332.488 3.375 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCCN(C)c1ccccc1 ZINC000422744394 309366228 /nfs/dbraw/zinc/36/62/28/309366228.db2.gz VYGKUUBGXYSZJF-MRXNPFEDSA-N 2 0 326.488 3.416 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)[C@@H](C)C1 ZINC000422746371 309366324 /nfs/dbraw/zinc/36/63/24/309366324.db2.gz NTSRSXDQFNSSIK-NMLBUPMWSA-N 2 0 339.568 3.024 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422773290 309367562 /nfs/dbraw/zinc/36/75/62/309367562.db2.gz ZRQVUSFNYYXGQD-BEVDRBHNSA-N 2 0 344.524 3.415 20 0 EGADRP CCC(CC)(CN[C@H](C)C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000422773973 309367705 /nfs/dbraw/zinc/36/77/05/309367705.db2.gz ZNEOTWYTYLPJHY-QWFCFKBJSA-N 2 0 347.547 3.253 20 0 EGADRP Clc1ccc(SCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422774756 309367742 /nfs/dbraw/zinc/36/77/42/309367742.db2.gz YJBGWTCBONXWPZ-YESZJQIVSA-N 2 0 340.920 3.179 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422784056 309368050 /nfs/dbraw/zinc/36/80/50/309368050.db2.gz PEGMHIKTIQPLES-IPELMVKDSA-N 2 0 326.440 3.321 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784729 309368146 /nfs/dbraw/zinc/36/81/46/309368146.db2.gz JBEMXDJFSGBLLY-QFBILLFUSA-N 2 0 344.478 3.454 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422788501 309368279 /nfs/dbraw/zinc/36/82/79/309368279.db2.gz AVFNAENFCRSIFZ-MISYRCLQSA-N 2 0 333.520 3.185 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422789534 309368308 /nfs/dbraw/zinc/36/83/08/309368308.db2.gz UATOISHLZLRTGX-CZUORRHYSA-N 2 0 337.305 3.458 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Oc1cccc(Br)c1 ZINC000422788548 309368357 /nfs/dbraw/zinc/36/83/57/309368357.db2.gz AWZGZHUKEAKFRQ-UHOFOFEASA-N 2 0 341.293 3.466 20 0 EGADRP Fc1cccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422792289 309368400 /nfs/dbraw/zinc/36/84/00/309368400.db2.gz WCUKXVLTMYSJJK-AZUAARDMSA-N 2 0 326.415 3.214 20 0 EGADRP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000422792164 309368467 /nfs/dbraw/zinc/36/84/67/309368467.db2.gz QWIWNTOUCUBHTB-ZCNNSNEGSA-N 2 0 342.462 3.064 20 0 EGADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccc(Br)cc1 ZINC000422797287 309368949 /nfs/dbraw/zinc/36/89/49/309368949.db2.gz LVDGAEPWQGBUJL-DNOWBOINSA-N 2 0 341.293 3.324 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)c1 ZINC000422812674 309369820 /nfs/dbraw/zinc/36/98/20/309369820.db2.gz YEFFFBJRQBJRPV-QHAWAJNXSA-N 2 0 338.499 3.332 20 0 EGADRP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422820959 309370148 /nfs/dbraw/zinc/37/01/48/309370148.db2.gz TUOATIHSAOHDIZ-ZACQAIPSSA-N 2 0 347.469 3.161 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422839230 309371319 /nfs/dbraw/zinc/37/13/19/309371319.db2.gz QANBTJSSITVUQV-PXNSSMCTSA-N 2 0 347.466 3.151 20 0 EGADRP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422843428 309371511 /nfs/dbraw/zinc/37/15/11/309371511.db2.gz IFVAEAKBGDZWRQ-SLFFLAALSA-N 2 0 330.516 3.273 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422842762 309371594 /nfs/dbraw/zinc/37/15/94/309371594.db2.gz GIXUJRXXCBMQAN-KBXCAEBGSA-N 2 0 329.419 3.491 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422857143 309372299 /nfs/dbraw/zinc/37/22/99/309372299.db2.gz HAIAYTLUXOICKT-XVSDAANHSA-N 3 0 327.516 3.434 20 0 EGADRP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422874273 309373163 /nfs/dbraw/zinc/37/31/63/309373163.db2.gz COPQDUHILZZTRD-CQSZACIVSA-N 2 0 340.471 3.438 20 0 EGADRP Cc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+]2CCCC2)o1 ZINC000422876269 309373516 /nfs/dbraw/zinc/37/35/16/309373516.db2.gz FKCMVECOOIJNLG-IHPCNDPISA-N 2 0 341.499 3.273 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422884093 309374115 /nfs/dbraw/zinc/37/41/15/309374115.db2.gz RSDYMNMXGFPVGC-ULQDDVLXSA-N 3 0 332.536 3.257 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422895016 309374909 /nfs/dbraw/zinc/37/49/09/309374909.db2.gz UXBOZRRPVIRUQE-NDXORKPFSA-N 2 0 340.467 3.108 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000422898122 309374952 /nfs/dbraw/zinc/37/49/52/309374952.db2.gz LFKDDBMLMFCUHZ-PKOBYXMFSA-N 3 0 333.520 3.027 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902682 309375306 /nfs/dbraw/zinc/37/53/06/309375306.db2.gz UYNAWNCRAODCNX-IEBWSBKVSA-N 2 0 330.520 3.472 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccc1-n1ccnc1 ZINC000422905734 309375570 /nfs/dbraw/zinc/37/55/70/309375570.db2.gz SPPBFZPABLCRSK-BHIYHBOVSA-N 2 0 342.462 3.412 20 0 EGADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000422943853 309377428 /nfs/dbraw/zinc/37/74/28/309377428.db2.gz YUIJUXCDCTZSDO-YSGRDPCXSA-N 2 0 328.431 3.272 20 0 EGADRP CCC(CC)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[NH+](C)C ZINC000422965680 309378790 /nfs/dbraw/zinc/37/87/90/309378790.db2.gz PJZOCPNQWHAYJN-IRFCIJBXSA-N 2 0 345.531 3.198 20 0 EGADRP COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)O[C@H](C)C2 ZINC000422968015 309378845 /nfs/dbraw/zinc/37/88/45/309378845.db2.gz QJFSJQGFHBYOPJ-CHWSQXEVSA-N 2 0 341.455 3.032 20 0 EGADRP COc1cc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(OC)c1 ZINC000423003445 309380269 /nfs/dbraw/zinc/38/02/69/309380269.db2.gz MCDQCSKVSGJBBI-VAMGGRTRSA-N 2 0 347.503 3.016 20 0 EGADRP COCCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423004373 309380370 /nfs/dbraw/zinc/38/03/70/309380370.db2.gz OUIHFJLVLOGCSX-XUVXKRRUSA-N 2 0 332.488 3.112 20 0 EGADRP CCOCCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423006275 309380549 /nfs/dbraw/zinc/38/05/49/309380549.db2.gz UVSOQAUHMCLGOY-PXNSSMCTSA-N 2 0 330.472 3.039 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(OC2CCC2)n1 ZINC000423015111 309380988 /nfs/dbraw/zinc/38/09/88/309380988.db2.gz QLWGHDHDSDAPLZ-GBESFXJTSA-N 2 0 329.488 3.413 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000423024562 309381523 /nfs/dbraw/zinc/38/15/23/309381523.db2.gz MBDPOGMXMPAKKZ-JXQTWKCFSA-N 2 0 325.859 3.165 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423022734 309381531 /nfs/dbraw/zinc/38/15/31/309381531.db2.gz IITVJVOMHMFTHL-UCKNYWNBSA-N 2 0 344.499 3.426 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423024925 309381648 /nfs/dbraw/zinc/38/16/48/309381648.db2.gz KFQQKFOHBKQBFG-BLLLJJGKSA-N 2 0 331.287 3.488 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423024928 309381657 /nfs/dbraw/zinc/38/16/57/309381657.db2.gz KFQQKFOHBKQBFG-LRDDRELGSA-N 2 0 331.287 3.488 20 0 EGADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@@H]1CCC[NH2+]1 ZINC000423038720 309382348 /nfs/dbraw/zinc/38/23/48/309382348.db2.gz ZEWQTRQCWBIPGJ-NHYWBVRUSA-N 2 0 336.277 3.203 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423058991 309383600 /nfs/dbraw/zinc/38/36/00/309383600.db2.gz DQKVXASBHWFNLN-ZIAGYGMSSA-N 2 0 329.410 3.391 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423084514 309385283 /nfs/dbraw/zinc/38/52/83/309385283.db2.gz IDWSEIJKMHHWOC-HOTGVXAUSA-N 2 0 326.488 3.085 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423088028 309385322 /nfs/dbraw/zinc/38/53/22/309385322.db2.gz PCWZGLQFUPLENH-AZOSJMHDSA-N 2 0 339.483 3.056 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000423104966 309386158 /nfs/dbraw/zinc/38/61/58/309386158.db2.gz HVBRPFAFUQVLCP-LLLHUVSDSA-N 2 0 348.491 3.068 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000423122138 309387008 /nfs/dbraw/zinc/38/70/08/309387008.db2.gz JDMXUJVUWYABTP-UGSOOPFHSA-N 2 0 333.863 3.276 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000423130850 309387443 /nfs/dbraw/zinc/38/74/43/309387443.db2.gz SGRKUPYGDYWGQQ-XGHQBKJUSA-N 2 0 338.499 3.162 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000423135892 309387821 /nfs/dbraw/zinc/38/78/21/309387821.db2.gz OMVUAVDDYDGONB-CTNGQTDRSA-N 3 0 343.515 3.098 20 0 EGADRP Fc1cc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423146508 309388259 /nfs/dbraw/zinc/38/82/59/309388259.db2.gz AOUNJMIUYXHIAR-KBRIMQKVSA-N 2 0 326.843 3.368 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423151230 309388603 /nfs/dbraw/zinc/38/86/03/309388603.db2.gz CAWSIEYDDDWOJW-ACJLOTCBSA-N 2 0 336.838 3.406 20 0 EGADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423181714 309389363 /nfs/dbraw/zinc/38/93/63/309389363.db2.gz PILRNQQPCVGTAU-GOSISDBHSA-N 2 0 333.520 3.057 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000423195040 309390022 /nfs/dbraw/zinc/39/00/22/309390022.db2.gz XHRQWOGFDFNITR-WIYYLYMNSA-N 2 0 337.467 3.205 20 0 EGADRP Brc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423216331 309390841 /nfs/dbraw/zinc/39/08/41/309390841.db2.gz RRFKQGLDCYBNQB-CXAGYDPISA-N 2 0 337.305 3.359 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423222688 309391189 /nfs/dbraw/zinc/39/11/89/309391189.db2.gz CCFZDWGZJRSYPO-JKSUJKDBSA-N 2 0 338.455 3.301 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423221158 309391284 /nfs/dbraw/zinc/39/12/84/309391284.db2.gz WLHWNVQBSYBHKG-BQFCYCMXSA-N 2 0 342.487 3.038 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423259590 309392715 /nfs/dbraw/zinc/39/27/15/309392715.db2.gz OLJRQSNOXPMJHZ-CABCVRRESA-N 2 0 330.476 3.011 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423269921 309393272 /nfs/dbraw/zinc/39/32/72/309393272.db2.gz HJDGDYCMDVJUFT-IERDGZPVSA-N 2 0 342.483 3.433 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000423279670 309393756 /nfs/dbraw/zinc/39/37/56/309393756.db2.gz SQINYCXZUWDWIK-CZUORRHYSA-N 2 0 343.309 3.362 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423281180 309393829 /nfs/dbraw/zinc/39/38/29/309393829.db2.gz ASDKRHUUILPGFE-HNNXBMFYSA-N 2 0 325.294 3.414 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423282658 309393924 /nfs/dbraw/zinc/39/39/24/309393924.db2.gz WQIKMUCESWFDJE-WIYYLYMNSA-N 2 0 339.483 3.353 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000423320282 309394960 /nfs/dbraw/zinc/39/49/60/309394960.db2.gz DKEYQBIZFXEKBY-UWVAXJGDSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000423317545 309394970 /nfs/dbraw/zinc/39/49/70/309394970.db2.gz BTBDECRKAKIVBF-OXJNMPFZSA-N 2 0 337.467 3.273 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423317477 309395025 /nfs/dbraw/zinc/39/50/25/309395025.db2.gz BMVDJMDAJVOXDL-CQSZACIVSA-N 2 0 330.476 3.011 20 0 EGADRP COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc(OC)c1OC ZINC000423355614 309396706 /nfs/dbraw/zinc/39/67/06/309396706.db2.gz IKTSGHYWBRNOCJ-ZDUSSCGKSA-N 2 0 342.439 3.166 20 0 EGADRP Brc1ccccc1C[C@@H]([NH2+]CC1=CC[NH2+]CC1)C1CC1 ZINC000423362289 309397000 /nfs/dbraw/zinc/39/70/00/309397000.db2.gz XRPRGZQXWCQLID-QGZVFWFLSA-N 2 0 335.289 3.280 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000423371158 309397546 /nfs/dbraw/zinc/39/75/46/309397546.db2.gz HOFDLOMEVOUHOH-QZTJIDSGSA-N 2 0 343.515 3.435 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000423382039 309398018 /nfs/dbraw/zinc/39/80/18/309398018.db2.gz JRSUXWLBLNBLJL-ZETOZRRWSA-N 2 0 327.241 3.435 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H](C)[NH3+] ZINC000423402910 309398705 /nfs/dbraw/zinc/39/87/05/309398705.db2.gz HJWHPEDZDBCJKQ-LNLFQRSKSA-N 2 0 345.531 3.386 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423401459 309398784 /nfs/dbraw/zinc/39/87/84/309398784.db2.gz XQHGRJMXGHWVAM-COXVUDFISA-N 2 0 341.421 3.051 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000423408494 309398948 /nfs/dbraw/zinc/39/89/48/309398948.db2.gz OQQIYKHVCHJTBV-CYBMUJFWSA-N 2 0 346.393 3.252 20 0 EGADRP Brc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423430726 309400064 /nfs/dbraw/zinc/40/00/64/309400064.db2.gz IGTSMYPYPFSHQW-UWWQBHOKSA-N 2 0 349.316 3.284 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423463141 309401146 /nfs/dbraw/zinc/40/11/46/309401146.db2.gz UZRFNPGPNAKMOT-SMDDNHRTSA-N 2 0 327.266 3.380 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423470896 309401511 /nfs/dbraw/zinc/40/15/11/309401511.db2.gz ZIWPNCKMCOEZQZ-DLVCFXQMSA-N 2 0 343.515 3.107 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000423476811 309401694 /nfs/dbraw/zinc/40/16/94/309401694.db2.gz RPXGALNYUWVIDF-HOJAQTOUSA-N 2 0 346.490 3.458 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)nnn1-c1ccc(C)cc1 ZINC000423490395 309402668 /nfs/dbraw/zinc/40/26/68/309402668.db2.gz XQPZKZVLCVTUNP-NVXWUHKLSA-N 2 0 327.476 3.067 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423548068 309405913 /nfs/dbraw/zinc/40/59/13/309405913.db2.gz GOJBODWEQYFGJT-HXUWFJFHSA-N 2 0 325.456 3.106 20 0 EGADRP C[C@@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000423802003 309413492 /nfs/dbraw/zinc/41/34/92/309413492.db2.gz URPDPYIGDPGSJZ-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000424016369 309425540 /nfs/dbraw/zinc/42/55/40/309425540.db2.gz BYEJNEAYCSQNFS-IBGZPJMESA-N 2 0 345.531 3.168 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2c(CC)cccc2CC)CC1 ZINC000430586300 309612084 /nfs/dbraw/zinc/61/20/84/309612084.db2.gz SNDHLTQOQOJINF-INIZCTEOSA-N 2 0 345.531 3.460 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000430592340 309612205 /nfs/dbraw/zinc/61/22/05/309612205.db2.gz QHEIOICYKJEOJZ-IAGOWNOFSA-N 2 0 345.531 3.136 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000430928363 309621214 /nfs/dbraw/zinc/62/12/14/309621214.db2.gz TZFZYXLVQDIKNF-HNNXBMFYSA-N 2 0 331.504 3.070 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000431048251 309624401 /nfs/dbraw/zinc/62/44/01/309624401.db2.gz FDPBFESAGYTOTH-OALUTQOASA-N 2 0 335.536 3.055 20 0 EGADRP Cc1ccc([C@@H]2CCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1C ZINC000433132410 309679662 /nfs/dbraw/zinc/67/96/62/309679662.db2.gz XHXFPXGFSUYSMR-FQEVSTJZSA-N 2 0 343.515 3.170 20 0 EGADRP CCC1CCC(N(C(=O)CCC[NH+]2CCC([NH3+])CC2)C2CC2)CC1 ZINC000433149511 309680127 /nfs/dbraw/zinc/68/01/27/309680127.db2.gz UCJAEOQGRPOVBU-UHFFFAOYSA-N 2 0 335.536 3.150 20 0 EGADRP Cc1cccc([C@H]2CCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)c1C ZINC000433170562 309680603 /nfs/dbraw/zinc/68/06/03/309680603.db2.gz XSVNUELRQWJWRT-HXUWFJFHSA-N 2 0 343.515 3.170 20 0 EGADRP Cc1ccc([C@H](C)N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000433179401 309680983 /nfs/dbraw/zinc/68/09/83/309680983.db2.gz XYAGUKPVWHXJCN-KRWDZBQOSA-N 2 0 331.504 3.026 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000447532119 309981023 /nfs/dbraw/zinc/98/10/23/309981023.db2.gz SEGXIKQRIJROIM-KRWDZBQOSA-N 2 0 342.487 3.154 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448234158 310000652 /nfs/dbraw/zinc/00/06/52/310000652.db2.gz LKORZJNXALFOED-IPMKNSEASA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000448234799 310000757 /nfs/dbraw/zinc/00/07/57/310000757.db2.gz RHQHYAPRCJZNGE-UXPWSPDFSA-N 2 0 337.467 3.028 20 0 EGADRP Cc1ccccc1-c1ccccc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000449120041 310038508 /nfs/dbraw/zinc/03/85/08/310038508.db2.gz BUTXMZSIOLKCEY-IBGZPJMESA-N 2 0 337.511 3.388 20 0 EGADRP Cc1ccccc1-c1ccccc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000449122627 310038645 /nfs/dbraw/zinc/03/86/45/310038645.db2.gz MFTMXNLQDHPONK-UHFFFAOYSA-N 2 0 338.495 3.456 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000449148245 310040420 /nfs/dbraw/zinc/04/04/20/310040420.db2.gz JHMPKWFAQJACPA-WMZOPIPTSA-N 2 0 330.472 3.190 20 0 EGADRP Cc1ccncc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449526549 310069376 /nfs/dbraw/zinc/06/93/76/310069376.db2.gz WHEUHINRJJKBPV-UHFFFAOYSA-N 2 0 338.499 3.210 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc3ccccc23)CC1 ZINC000449749522 310084258 /nfs/dbraw/zinc/08/42/58/310084258.db2.gz GEFNCMNMOAJXDY-UHFFFAOYSA-N 2 0 331.529 3.407 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000450604626 310132717 /nfs/dbraw/zinc/13/27/17/310132717.db2.gz XBSQPYWZTPGWIL-FRTACKCFSA-N 2 0 328.500 3.100 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC1 ZINC000451411078 310176732 /nfs/dbraw/zinc/17/67/32/310176732.db2.gz UMUXVAMKDRUOLZ-JKSUJKDBSA-N 2 0 335.458 3.065 20 0 EGADRP COCC[C@@H]([NH2+]CCn1ccnc1)c1cccc(C(F)(F)F)c1 ZINC000451688477 310192673 /nfs/dbraw/zinc/19/26/73/310192673.db2.gz GJAMETZTXDNLAL-OAHLLOKOSA-N 2 0 327.350 3.269 20 0 EGADRP C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453075175 310256076 /nfs/dbraw/zinc/25/60/76/310256076.db2.gz GVMQGAXQWYJJAN-PWRODBHTSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCc3ccccc3CC2)C[C@@H](C)O1 ZINC000453080868 310256741 /nfs/dbraw/zinc/25/67/41/310256741.db2.gz KREOJWMFFLUNOD-QZTJIDSGSA-N 2 0 330.516 3.413 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453200046 310263793 /nfs/dbraw/zinc/26/37/93/310263793.db2.gz UMLVSXFXZHISQE-SFTDATJTSA-N 2 0 328.500 3.312 20 0 EGADRP FC(F)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453224227 310265146 /nfs/dbraw/zinc/26/51/46/310265146.db2.gz PSJBXLRZAKSEQH-RCCFBDPRSA-N 2 0 338.442 3.301 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000453256695 310267135 /nfs/dbraw/zinc/26/71/35/310267135.db2.gz QZBHMJVTKGHNIC-ICSRJNTNSA-N 2 0 338.499 3.300 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273170 310268423 /nfs/dbraw/zinc/26/84/23/310268423.db2.gz VLDVWESXWUEVPX-LAUBAEHRSA-N 2 0 339.483 3.246 20 0 EGADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000453407398 310275368 /nfs/dbraw/zinc/27/53/68/310275368.db2.gz PSWATEGABIYURY-SRHPJPHMSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cnn(Cc2ccccc2)c1 ZINC000453408261 310275584 /nfs/dbraw/zinc/27/55/84/310275584.db2.gz SRSHGTYIHNAUIM-QGZVFWFLSA-N 2 0 326.488 3.456 20 0 EGADRP CC(C)C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455900438 310381707 /nfs/dbraw/zinc/38/17/07/310381707.db2.gz FXRDZKBNYQSCEP-LJQANCHMSA-N 2 0 344.503 3.041 20 0 EGADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C[NH+]1CCCC1 ZINC000455946664 310383087 /nfs/dbraw/zinc/38/30/87/310383087.db2.gz WZIMYZQOSIXWKE-KXBFYZLASA-N 2 0 344.503 3.089 20 0 EGADRP c1cc(C2CC2)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000459326491 310544126 /nfs/dbraw/zinc/54/41/26/310544126.db2.gz MWQJAAUONCGUHE-UHFFFAOYSA-N 2 0 328.500 3.498 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480172652 310890542 /nfs/dbraw/zinc/89/05/42/310890542.db2.gz WXWLKCPNWKCREF-IBGZPJMESA-N 3 0 347.547 3.400 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)CC1CC1 ZINC000486950378 311003449 /nfs/dbraw/zinc/00/34/49/311003449.db2.gz LDAUYSDZHSNLGV-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C[C@H]2CCSC2)C[C@@H](C)O1 ZINC000486974984 311005389 /nfs/dbraw/zinc/00/53/89/311005389.db2.gz XMDVFVWLLUGCJY-BRWVUGGUSA-N 2 0 334.529 3.139 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000487181891 311014155 /nfs/dbraw/zinc/01/41/55/311014155.db2.gz BGDXVYRJMDTYRA-MISYRCLQSA-N 2 0 345.531 3.305 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000490208955 311135987 /nfs/dbraw/zinc/13/59/87/311135987.db2.gz FTMXPDKHMXOYBZ-LJQANCHMSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H](c1ccccn1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000493281324 311353438 /nfs/dbraw/zinc/35/34/38/311353438.db2.gz PAKALKMOHSDSOF-GOSISDBHSA-N 3 0 344.547 3.271 20 0 EGADRP CC(C)(C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000495973088 311641291 /nfs/dbraw/zinc/64/12/91/311641291.db2.gz AUWFEUWVPNYGGV-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496028644 311650757 /nfs/dbraw/zinc/65/07/57/311650757.db2.gz TUBRICKDJCNWBQ-HOTGVXAUSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496568705 311731746 /nfs/dbraw/zinc/73/17/46/311731746.db2.gz IPCBUKTYEGEAPC-IRXDYDNUSA-N 2 0 333.476 3.147 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000496911135 311784075 /nfs/dbraw/zinc/78/40/75/311784075.db2.gz VVSUGVKZCOZLLY-LJQANCHMSA-N 2 0 347.503 3.313 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000497180037 311832009 /nfs/dbraw/zinc/83/20/09/311832009.db2.gz QZXNXCBNYHOSNA-UHFFFAOYSA-N 2 0 341.540 3.247 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000506930493 312055840 /nfs/dbraw/zinc/05/58/40/312055840.db2.gz OUPWRRAYHYPPBS-UHFFFAOYSA-N 2 0 348.487 3.368 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000510845807 312149254 /nfs/dbraw/zinc/14/92/54/312149254.db2.gz NYAGKWVQPOKMRG-AOCRQIFASA-N 2 0 349.950 3.449 20 0 EGADRP CC(C)CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512428622 312185049 /nfs/dbraw/zinc/18/50/49/312185049.db2.gz WVWFQUIIZOVUHA-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190551 /nfs/dbraw/zinc/19/05/51/312190551.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 2 0 329.532 3.217 20 0 EGADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648719 312191276 /nfs/dbraw/zinc/19/12/76/312191276.db2.gz OTPMQOVUVNERCF-FNAHDJPLSA-N 2 0 341.543 3.361 20 0 EGADRP CN(Cc1ccccc1)CC(C)(C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000513726438 312216350 /nfs/dbraw/zinc/21/63/50/312216350.db2.gz ZRQKVSWNQVAHAF-UHFFFAOYSA-N 2 0 331.548 3.418 20 0 EGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000516181400 312313173 /nfs/dbraw/zinc/31/31/73/312313173.db2.gz DXKBKQYBLJXUCR-CABCVRRESA-N 2 0 341.455 3.163 20 0 EGADRP CN(C)[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000516767567 312340742 /nfs/dbraw/zinc/34/07/42/312340742.db2.gz GRRJAYUCGCNPSN-SFHVURJKSA-N 2 0 331.504 3.060 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000516957885 312354326 /nfs/dbraw/zinc/35/43/26/312354326.db2.gz ABZZTHIREUELPL-IEBWSBKVSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1Cl ZINC000519381530 312451870 /nfs/dbraw/zinc/45/18/70/312451870.db2.gz SQIUEKPBPSXQGD-AWEZNQCLSA-N 2 0 325.884 3.343 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528392580 313082514 /nfs/dbraw/zinc/08/25/14/313082514.db2.gz ULKOZKHIFXQSGY-AZUAARDMSA-N 2 0 334.479 3.191 20 0 EGADRP Cc1nc(CN2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)[nH]c1C ZINC000529641635 313376770 /nfs/dbraw/zinc/37/67/70/313376770.db2.gz OGLLAWCYANVDJF-IBGZPJMESA-N 2 0 326.488 3.369 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000536697459 314139909 /nfs/dbraw/zinc/13/99/09/314139909.db2.gz LUURPMULNBVXFB-UHFFFAOYSA-N 2 0 344.503 3.133 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1(C)C ZINC000537288656 314172057 /nfs/dbraw/zinc/17/20/57/314172057.db2.gz LYIKZPNUOJPVSV-XUVXKRRUSA-N 2 0 330.516 3.344 20 0 EGADRP C[C@@H]([NH2+]CCOc1ccccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000539071010 314294361 /nfs/dbraw/zinc/29/43/61/314294361.db2.gz CHOLDDZJHXBZGF-MRXNPFEDSA-N 2 0 346.446 3.496 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)CC1CC1 ZINC000540050622 314360539 /nfs/dbraw/zinc/36/05/39/314360539.db2.gz WDNQXZSFPICHFF-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000540173147 314367943 /nfs/dbraw/zinc/36/79/43/314367943.db2.gz FCBCIOMNILHDAM-MRXNPFEDSA-N 2 0 346.446 3.496 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCCC2 ZINC000540597699 314391613 /nfs/dbraw/zinc/39/16/13/314391613.db2.gz SSLSVTCPGGMFNS-WOJBJXKFSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000546724976 314852532 /nfs/dbraw/zinc/85/25/32/314852532.db2.gz WSJNDYJFJRMHDW-KXBFYZLASA-N 2 0 335.923 3.333 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)C1 ZINC000549754880 315103468 /nfs/dbraw/zinc/10/34/68/315103468.db2.gz SKWQZFHFXCEHGW-RCCFBDPRSA-N 2 0 336.520 3.495 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000550896054 315136877 /nfs/dbraw/zinc/13/68/77/315136877.db2.gz VWFYBAXYIUKDDB-DOIPELPJSA-N 2 0 328.500 3.302 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000550896055 315137086 /nfs/dbraw/zinc/13/70/86/315137086.db2.gz VWFYBAXYIUKDDB-PLACYPQZSA-N 2 0 328.500 3.302 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000551210931 315145435 /nfs/dbraw/zinc/14/54/35/315145435.db2.gz CSCBRZRVVOAHMJ-QUCCMNQESA-N 2 0 332.488 3.064 20 0 EGADRP C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000551274146 315147809 /nfs/dbraw/zinc/14/78/09/315147809.db2.gz LEAZLHPDJBODSY-PXNSSMCTSA-N 2 0 348.531 3.466 20 0 EGADRP CC(C)C(C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C(C)C ZINC000551554510 315158443 /nfs/dbraw/zinc/15/84/43/315158443.db2.gz JPZRRERDGPQHBL-NRFANRHFSA-N 2 0 331.548 3.493 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098653 315197864 /nfs/dbraw/zinc/19/78/64/315197864.db2.gz KQNYLTFASRUXID-TYPHKJRUSA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000553465118 315264694 /nfs/dbraw/zinc/26/46/94/315264694.db2.gz AUUCBZAIWCRLDI-GOSISDBHSA-N 2 0 346.515 3.233 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000555232922 315374479 /nfs/dbraw/zinc/37/44/79/315374479.db2.gz PUQVHSGVFNXXBT-LXZJYRNTSA-N 2 0 340.552 3.307 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555231331 315374508 /nfs/dbraw/zinc/37/45/08/315374508.db2.gz YTZWQFVIBYVCNN-BBRMVZONSA-N 2 0 339.911 3.226 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000563506618 316030809 /nfs/dbraw/zinc/03/08/09/316030809.db2.gz SSSWOMGCZBZBJE-LJQANCHMSA-N 2 0 342.487 3.208 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894123 316086652 /nfs/dbraw/zinc/08/66/52/316086652.db2.gz GZXFAUJUPZFQCX-HXUWFJFHSA-N 2 0 339.483 3.434 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000564444851 316153309 /nfs/dbraw/zinc/15/33/09/316153309.db2.gz UNXGCZMLJKRKFP-ARFHVFGLSA-N 2 0 344.421 3.071 20 0 EGADRP CC(C)CC1(C)CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000564681759 316187246 /nfs/dbraw/zinc/18/72/46/316187246.db2.gz BIWCHODGRKORLZ-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP Cn1cc([C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC2(C)C)cn1 ZINC000565930261 316389102 /nfs/dbraw/zinc/38/91/02/316389102.db2.gz LKXIKAWAWGEIAR-LJQANCHMSA-N 2 0 335.455 3.231 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000566852698 316535719 /nfs/dbraw/zinc/53/57/19/316535719.db2.gz MVBADJHTYOZYDA-SJLPKXTDSA-N 2 0 347.528 3.082 20 0 EGADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(OC(F)F)c1 ZINC000568415560 316773223 /nfs/dbraw/zinc/77/32/23/316773223.db2.gz XSXBHMZXIUEOQM-KBPBESRZSA-N 2 0 328.403 3.436 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000569713447 316953668 /nfs/dbraw/zinc/95/36/68/316953668.db2.gz ONWSUJJKIPSIES-IBGZPJMESA-N 2 0 335.536 3.055 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000570237100 317026277 /nfs/dbraw/zinc/02/62/77/317026277.db2.gz ZEDYALMXMVEQSJ-IBGZPJMESA-N 2 0 346.515 3.257 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000570642519 317086114 /nfs/dbraw/zinc/08/61/14/317086114.db2.gz VMLMYQFQSDTQBG-UKPHBRMFSA-N 2 0 344.421 3.244 20 0 EGADRP CC(C)[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178879310 323361436 /nfs/dbraw/zinc/36/14/36/323361436.db2.gz QOKCGGIMPKSWJT-WDSOQIARSA-N 2 0 337.552 3.074 20 0 EGADRP CCC[C@H](C(=O)OCC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393579 323385611 /nfs/dbraw/zinc/38/56/11/323385611.db2.gz PYRDRZYHSODVLG-LJQANCHMSA-N 2 0 347.503 3.352 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382731086 324252760 /nfs/dbraw/zinc/25/27/60/324252760.db2.gz BAKFVUDVFUGJOX-MJGOQNOKSA-N 2 0 345.531 3.134 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382766631 324254272 /nfs/dbraw/zinc/25/42/72/324254272.db2.gz VUMUYMBLXPALAL-PKOBYXMFSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCCC[NH+]1C ZINC000397985290 324294753 /nfs/dbraw/zinc/29/47/53/324294753.db2.gz ODTYVCMIDANMRG-NRSPTQNISA-N 2 0 329.532 3.361 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@]3(c4ccccc4)CC[NH2+]C3)n2)cc1 ZINC000577995284 324899837 /nfs/dbraw/zinc/89/98/37/324899837.db2.gz ARDATNAQGDNKMX-OAQYLSRUSA-N 2 0 348.450 3.078 20 0 EGADRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC1(C)C ZINC000578857794 325028177 /nfs/dbraw/zinc/02/81/77/325028177.db2.gz YTVINRVUENRTJO-HSALFYBXSA-N 2 0 329.532 3.389 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000579254486 325085427 /nfs/dbraw/zinc/08/54/27/325085427.db2.gz KZBAOYYEGZAREC-YLJYHZDGSA-N 2 0 326.484 3.109 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)CC3 ZINC000580545612 325264880 /nfs/dbraw/zinc/26/48/80/325264880.db2.gz KRXHIEFXKFZNEJ-CVEARBPZSA-N 2 0 341.499 3.354 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000580644429 325278004 /nfs/dbraw/zinc/27/80/04/325278004.db2.gz QFJFKVPUNCYAIJ-PKOBYXMFSA-N 2 0 345.531 3.341 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000581009654 325320806 /nfs/dbraw/zinc/32/08/06/325320806.db2.gz ZIFHSOHLJDQEIC-VQIMIIECSA-N 2 0 331.504 3.051 20 0 EGADRP Cn1c(CN[C@@H](C[NH3+])C2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000581479256 325364897 /nfs/dbraw/zinc/36/48/97/325364897.db2.gz MYYOTONSZVZHLG-INIZCTEOSA-N 2 0 347.894 3.133 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(Br)c1OC ZINC000581548893 325370829 /nfs/dbraw/zinc/37/08/29/325370829.db2.gz ZPVBHQXLZYBEPB-GHMZBOCLSA-N 2 0 345.281 3.072 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CN[C@H]2C[C@@H](C)C[NH+](Cc3ccccc3)C2)C1 ZINC000581694588 325383074 /nfs/dbraw/zinc/38/30/74/325383074.db2.gz YHMYHFQLKCMTQW-GIVPXCGWSA-N 2 0 329.532 3.217 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000581958327 325402554 /nfs/dbraw/zinc/40/25/54/325402554.db2.gz VGWHRNDBQUHEOD-HXUWFJFHSA-N 2 0 349.950 3.278 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000301138812 456805877 /nfs/dbraw/zinc/80/58/77/456805877.db2.gz PFSBOVGILBDVTF-INIZCTEOSA-N 2 0 341.540 3.486 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000157898828 455246659 /nfs/dbraw/zinc/24/66/59/455246659.db2.gz WJLOGHPXZAICGQ-IBGZPJMESA-N 2 0 344.547 3.290 20 0 EGADRP c1cc2c(cccc2C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)[nH]1 ZINC000180795567 455246921 /nfs/dbraw/zinc/24/69/21/455246921.db2.gz RNKIZAPPEUKUQC-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC(=O)OC(C)(C)C ZINC000595094695 459243181 /nfs/dbraw/zinc/24/31/81/459243181.db2.gz HHWJTQNKWJYDSU-IXDOHACOSA-N 2 0 326.525 3.453 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2ccc(-c3nc(CC)no3)cc2)CC1 ZINC000183211637 455251297 /nfs/dbraw/zinc/25/12/97/455251297.db2.gz MHGFRHMSBPGTMG-UHFFFAOYSA-N 2 0 342.487 3.306 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000183242711 455258995 /nfs/dbraw/zinc/25/89/95/455258995.db2.gz WTRNDHGGDDCGMB-DLBZAZTESA-N 2 0 339.524 3.142 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173319559 455265015 /nfs/dbraw/zinc/26/50/15/455265015.db2.gz SNKLEQYVKPHRMF-HNNXBMFYSA-N 2 0 325.447 3.033 20 0 EGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000605374285 460573663 /nfs/dbraw/zinc/57/36/63/460573663.db2.gz VFFSOCKTCYQFBZ-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)co2)c1 ZINC000631828864 460575406 /nfs/dbraw/zinc/57/54/06/460575406.db2.gz AJUWVSQBLJMBTL-OAHLLOKOSA-N 2 0 341.455 3.314 20 0 EGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845873 460579895 /nfs/dbraw/zinc/57/98/95/460579895.db2.gz MXBHYJVRSNJIKW-KBXCAEBGSA-N 2 0 327.476 3.042 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000245603527 455338938 /nfs/dbraw/zinc/33/89/38/455338938.db2.gz MXJVUDNKDZKNRT-IZZQQSIFSA-N 2 0 345.531 3.263 20 0 EGADRP COc1ccc(Br)c(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631891438 460591003 /nfs/dbraw/zinc/59/10/03/460591003.db2.gz ZXKFYOCXNYVOJS-MLGOLLRUSA-N 2 0 339.277 3.032 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCSCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000600778206 460599730 /nfs/dbraw/zinc/59/97/30/460599730.db2.gz WRLBVNRJGXODSE-HUUCEWRRSA-N 2 0 332.435 3.379 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000075734193 453922799 /nfs/dbraw/zinc/92/27/99/453922799.db2.gz PJAMXWMTOBTNTR-KRWDZBQOSA-N 2 0 325.456 3.407 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000190839255 455390006 /nfs/dbraw/zinc/39/00/06/455390006.db2.gz DUISBRSYMINXTK-HNNXBMFYSA-N 2 0 343.437 3.129 20 0 EGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000084381427 453986517 /nfs/dbraw/zinc/98/65/17/453986517.db2.gz RCSNSFCXXILBPJ-UHFFFAOYSA-N 2 0 345.512 3.014 20 0 EGADRP CC(C)C[NH+]1CCC(NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000084544263 453996928 /nfs/dbraw/zinc/99/69/28/453996928.db2.gz KEPAMRZRJMWBLA-UHFFFAOYSA-N 2 0 329.532 3.361 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000044292280 454095487 /nfs/dbraw/zinc/09/54/87/454095487.db2.gz RJQSSTQAEYSDEI-MRXNPFEDSA-N 2 0 346.500 3.234 20 0 EGADRP Cc1csc(N2CCC([NH2+]C3CC[NH+](C(C)(C)C)CC3)CC2)n1 ZINC000089512928 454157355 /nfs/dbraw/zinc/15/73/55/454157355.db2.gz INIZHBDTISNHHB-UHFFFAOYSA-N 2 0 336.549 3.273 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCc4sccc43)ccn2)CC1 ZINC000095420397 454207797 /nfs/dbraw/zinc/20/77/97/454207797.db2.gz YGBPDAAZORNERM-QGZVFWFLSA-N 2 0 342.512 3.062 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000119672638 454212376 /nfs/dbraw/zinc/21/23/76/454212376.db2.gz INMHAHNOFVLWGT-RMVXJAJNSA-N 2 0 329.532 3.359 20 0 EGADRP C[N@H+](Cc1ccccc1C[NH2+][C@H]1CCNC(=O)CC1)C1CCCCC1 ZINC000634954919 460628725 /nfs/dbraw/zinc/62/87/25/460628725.db2.gz RFLQUWGIQSRGRR-LJQANCHMSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@H](c1cnccn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000184709343 455433205 /nfs/dbraw/zinc/43/32/05/455433205.db2.gz NALPIJKRHDUEMN-MRXNPFEDSA-N 2 0 325.460 3.171 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450652 454307632 /nfs/dbraw/zinc/30/76/32/454307632.db2.gz XNUHHIONULKYPX-GYSYKLTISA-N 2 0 332.275 3.086 20 0 EGADRP FC(F)(F)COCc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090716007 454338178 /nfs/dbraw/zinc/33/81/78/454338178.db2.gz KBMAPMXTAQZUSM-DLBZAZTESA-N 2 0 342.405 3.482 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132615326 454352057 /nfs/dbraw/zinc/35/20/57/454352057.db2.gz RLAUCVCCXMIKGR-GOSISDBHSA-N 2 0 345.531 3.278 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC(C)(C)Cc3occc32)ccn1 ZINC000090937306 454352945 /nfs/dbraw/zinc/35/29/45/454352945.db2.gz XSCXQTWXSYZUJW-KRWDZBQOSA-N 2 0 343.471 3.418 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1 ZINC000090937338 454353044 /nfs/dbraw/zinc/35/30/44/454353044.db2.gz KVMGFNXIOZTZMK-ZDUSSCGKSA-N 2 0 335.398 3.151 20 0 EGADRP c1cnc2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)ccc2n1 ZINC000634974481 460636635 /nfs/dbraw/zinc/63/66/35/460636635.db2.gz BUSDLPMMTNOPMX-UHFFFAOYSA-N 2 0 333.439 3.031 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000120950325 454368227 /nfs/dbraw/zinc/36/82/27/454368227.db2.gz WQRPJRXUGIPGPK-UONOGXRCSA-N 2 0 327.875 3.013 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000121021535 454379015 /nfs/dbraw/zinc/37/90/15/454379015.db2.gz ZDHQFHYBIQPNMY-FPOVZHCZSA-N 2 0 331.548 3.117 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000073032948 454385091 /nfs/dbraw/zinc/38/50/91/454385091.db2.gz UFJVNVAEMNQWST-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000079303725 454394658 /nfs/dbraw/zinc/39/46/58/454394658.db2.gz FIKNLFDROBTZPV-ROUUACIJSA-N 2 0 345.531 3.169 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H](c3ccccc3)C3CC3)ccn2)CC1 ZINC000091286943 454423398 /nfs/dbraw/zinc/42/33/98/454423398.db2.gz GKZBIALUZLIRGH-NRFANRHFSA-N 2 0 336.483 3.074 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000047978318 454427233 /nfs/dbraw/zinc/42/72/33/454427233.db2.gz JJAQHMZECZUABC-HXUWFJFHSA-N 2 0 348.531 3.097 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000121379830 454428138 /nfs/dbraw/zinc/42/81/38/454428138.db2.gz RPMOEQJTAGHROM-IRXDYDNUSA-N 2 0 329.488 3.357 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000121407929 454432035 /nfs/dbraw/zinc/43/20/35/454432035.db2.gz GKYOQVFEWBYTCQ-KNQAVFIVSA-N 2 0 343.559 3.179 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000063662102 454434948 /nfs/dbraw/zinc/43/49/48/454434948.db2.gz ZAYZCNKNNSVHQR-KRWDZBQOSA-N 2 0 339.911 3.181 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000064310206 454472369 /nfs/dbraw/zinc/47/23/69/454472369.db2.gz NYMBSSJDODPOKO-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564045 454499004 /nfs/dbraw/zinc/49/90/04/454499004.db2.gz LIRFWHVHYKQLCT-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122564979 454547571 /nfs/dbraw/zinc/54/75/71/454547571.db2.gz WMEUSZIMRUNZIV-IAGOWNOFSA-N 2 0 339.524 3.144 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1)C1CC1 ZINC000122701223 454560429 /nfs/dbraw/zinc/56/04/29/454560429.db2.gz ACNZFMKVMFGCAW-OXQOHEQNSA-N 2 0 343.515 3.226 20 0 EGADRP CC[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000134564088 454560891 /nfs/dbraw/zinc/56/08/91/454560891.db2.gz SZTBZQQOSYLOGX-LAUBAEHRSA-N 2 0 343.515 3.067 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000092720718 454617244 /nfs/dbraw/zinc/61/72/44/454617244.db2.gz SRNILSRNWLQASP-SFHVURJKSA-N 2 0 345.531 3.138 20 0 EGADRP CCC[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051686402 454635103 /nfs/dbraw/zinc/63/51/03/454635103.db2.gz SGMNFOFQGIFBHV-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000106458554 454695766 /nfs/dbraw/zinc/69/57/66/454695766.db2.gz JFZVZGFECZYVRV-FXAWDEMLSA-N 2 0 345.531 3.121 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161671223 454712180 /nfs/dbraw/zinc/71/21/80/454712180.db2.gz VFTHKHKFHNYOOY-BBRMVZONSA-N 2 0 327.875 3.156 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000635009590 460651245 /nfs/dbraw/zinc/65/12/45/460651245.db2.gz IHUULWYLHXQGGN-IBGZPJMESA-N 2 0 338.451 3.127 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2ccccc21 ZINC000124488050 454739486 /nfs/dbraw/zinc/73/94/86/454739486.db2.gz XXPVMCGWWGOBJW-UWJYYQICSA-N 2 0 329.532 3.488 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1OC ZINC000124514120 454742755 /nfs/dbraw/zinc/74/27/55/454742755.db2.gz SSGDVDLCNRBKQK-LJQANCHMSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635010636 460653262 /nfs/dbraw/zinc/65/32/62/460653262.db2.gz UGLZPIYIXFBQNY-WMZOPIPTSA-N 2 0 348.560 3.035 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000162568891 454785273 /nfs/dbraw/zinc/78/52/73/454785273.db2.gz RKYSOKJBPFDNDR-INIZCTEOSA-N 2 0 344.528 3.098 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccn(C)c2)CC1 ZINC000125024084 454791120 /nfs/dbraw/zinc/79/11/20/454791120.db2.gz QRMAXZQOWBIHKT-MRXNPFEDSA-N 2 0 344.478 3.157 20 0 EGADRP FC(F)Oc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000635011665 460655019 /nfs/dbraw/zinc/65/50/19/460655019.db2.gz GEBWCDYUSPTUPA-IJLUTSLNSA-N 2 0 330.806 3.419 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000139939066 454814050 /nfs/dbraw/zinc/81/40/50/454814050.db2.gz INRJYRZTVGNXNS-RDJZCZTQSA-N 2 0 347.528 3.153 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000266861967 455465273 /nfs/dbraw/zinc/46/52/73/455465273.db2.gz VAMXGHYYKVMANW-ZWKOTPCHSA-N 2 0 333.520 3.134 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1=O ZINC000177426410 454862622 /nfs/dbraw/zinc/86/26/22/454862622.db2.gz UMZRCUQXOXPFLX-FXAWDEMLSA-N 2 0 343.515 3.017 20 0 EGADRP FC(F)(F)CN1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000164615803 454886341 /nfs/dbraw/zinc/88/63/41/454886341.db2.gz RWJGMMXZLBGCPY-UHFFFAOYSA-N 2 0 335.458 3.259 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4ccccc43)cn2)CC1 ZINC000112519859 454889468 /nfs/dbraw/zinc/88/94/68/454889468.db2.gz BAOAXDISMIQEDH-FQEVSTJZSA-N 2 0 336.483 3.001 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000164844581 454890530 /nfs/dbraw/zinc/89/05/30/454890530.db2.gz OOAHAJKIANZBDK-ROUUACIJSA-N 2 0 345.531 3.169 20 0 EGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000165652645 454902087 /nfs/dbraw/zinc/90/20/87/454902087.db2.gz GKIOCUSPAMWKGR-IHWFROFDSA-N 2 0 347.547 3.022 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000154551799 454906743 /nfs/dbraw/zinc/90/67/43/454906743.db2.gz UCUJPLZFFGERBJ-JXFKEZNVSA-N 2 0 333.495 3.066 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000166368752 454910996 /nfs/dbraw/zinc/91/09/96/454910996.db2.gz RLNOAHLPZKLDQV-OALUTQOASA-N 2 0 331.504 3.237 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150950247 454916930 /nfs/dbraw/zinc/91/69/30/454916930.db2.gz FKQZDMDLBHNNIC-YWZLYKJASA-N 2 0 333.495 3.065 20 0 EGADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000150995824 454923276 /nfs/dbraw/zinc/92/32/76/454923276.db2.gz KKGIVTBTFKDSNW-AWEZNQCLSA-N 2 0 329.941 3.468 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000150993271 454923485 /nfs/dbraw/zinc/92/34/85/454923485.db2.gz VZLYEWTWOVELQL-KRWDZBQOSA-N 2 0 329.532 3.242 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000127795962 454998006 /nfs/dbraw/zinc/99/80/06/454998006.db2.gz YZMVZOSLMQYJEO-STQMWFEESA-N 2 0 330.303 3.280 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000127796429 454998913 /nfs/dbraw/zinc/99/89/13/454998913.db2.gz YZMVZOSLMQYJEO-QWHCGFSZSA-N 2 0 330.303 3.280 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151857511 455040765 /nfs/dbraw/zinc/04/07/65/455040765.db2.gz MPLMGQJISJPENW-CYBMUJFWSA-N 2 0 339.549 3.104 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1)C1CC1 ZINC000151917186 455048158 /nfs/dbraw/zinc/04/81/58/455048158.db2.gz AASWDOGEYHLKML-UHFFFAOYSA-N 2 0 331.504 3.083 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000151961947 455054550 /nfs/dbraw/zinc/05/45/50/455054550.db2.gz KJZQXZWDHDUJEK-FQEVSTJZSA-N 2 0 339.483 3.301 20 0 EGADRP C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)nc2)CC1 ZINC000128543830 455065958 /nfs/dbraw/zinc/06/59/58/455065958.db2.gz CMTQRTRPEJJADB-KGLIPLIRSA-N 2 0 342.409 3.366 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171767829 455093157 /nfs/dbraw/zinc/09/31/57/455093157.db2.gz ISROFBNGOHGMDA-UHFFFAOYSA-N 2 0 345.462 3.203 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000129014500 455094358 /nfs/dbraw/zinc/09/43/58/455094358.db2.gz JMOSZNKAVUMZRV-CTWPCTMYSA-N 2 0 335.536 3.020 20 0 EGADRP CCn1c(CN2CC[C@@H](Oc3ccncc3)C2)nc2cc(F)ccc21 ZINC000156338176 455106498 /nfs/dbraw/zinc/10/64/98/455106498.db2.gz SOGBAJALSFKATQ-MRXNPFEDSA-N 2 0 340.402 3.244 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000156457106 455120412 /nfs/dbraw/zinc/12/04/12/455120412.db2.gz TVJXZACDLMVNLK-LZLYRXPVSA-N 2 0 335.923 3.405 20 0 EGADRP CCN(Cc1ccnn1CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100189 455132221 /nfs/dbraw/zinc/13/22/21/455132221.db2.gz GLTUSVGVDXKJBH-IBGZPJMESA-N 2 0 326.488 3.247 20 0 EGADRP C[C@H]1CCC[N@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000156679093 455144228 /nfs/dbraw/zinc/14/42/28/455144228.db2.gz OVXJRCWOSHHAQI-SFHVURJKSA-N 2 0 347.522 3.154 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000156956790 455158507 /nfs/dbraw/zinc/15/85/07/455158507.db2.gz DEGUYTDEWZHXBX-JXFKEZNVSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182819684 455171249 /nfs/dbraw/zinc/17/12/49/455171249.db2.gz YMBIELGZOCBPMS-VQIMIIECSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H](CCNC(=O)C[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237456850 455185676 /nfs/dbraw/zinc/18/56/76/455185676.db2.gz WICURCQDJAYDAO-XLIONFOSSA-N 2 0 339.483 3.103 20 0 EGADRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237538598 455193003 /nfs/dbraw/zinc/19/30/03/455193003.db2.gz BHYUEASTMJZXII-FXAWDEMLSA-N 2 0 339.483 3.103 20 0 EGADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000237664957 455203979 /nfs/dbraw/zinc/20/39/79/455203979.db2.gz HTXQYDQSJKIGKW-HNAYVOBHSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)C1 ZINC000237710122 455210944 /nfs/dbraw/zinc/21/09/44/455210944.db2.gz SAFJIBALQLGSDO-IRXDYDNUSA-N 2 0 326.488 3.188 20 0 EGADRP CC(C)OC1CC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000189521366 455213003 /nfs/dbraw/zinc/21/30/03/455213003.db2.gz WQPQTJPKLIEGLA-UHFFFAOYSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)OC1CC([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000189528192 455214290 /nfs/dbraw/zinc/21/42/90/455214290.db2.gz BMMLTQBZPDBUCW-AGXSTUJCSA-N 2 0 346.515 3.341 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000190095285 455278050 /nfs/dbraw/zinc/27/80/50/455278050.db2.gz RIXVJJZBJMORKO-UHFFFAOYSA-N 2 0 340.556 3.059 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccncc1 ZINC000245513493 455318438 /nfs/dbraw/zinc/31/84/38/455318438.db2.gz CRQPEBZGWMFMSP-DLBZAZTESA-N 2 0 325.456 3.153 20 0 EGADRP C[C@H](c1ccccn1)[NH+](C)CCOCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245545257 455326250 /nfs/dbraw/zinc/32/62/50/455326250.db2.gz TTZLDAFHGWADDU-QZTJIDSGSA-N 2 0 342.487 3.179 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CCOc2ncccc2C(F)(F)F)CC1 ZINC000181539733 455352169 /nfs/dbraw/zinc/35/21/69/455352169.db2.gz CQEDRELBWXVGSH-UHFFFAOYSA-N 2 0 345.409 3.332 20 0 EGADRP COc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000190707224 455370803 /nfs/dbraw/zinc/37/08/03/455370803.db2.gz QFWRZYITXJEANQ-UHFFFAOYSA-N 2 0 325.456 3.366 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CCC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000245763445 455374839 /nfs/dbraw/zinc/37/48/39/455374839.db2.gz QMGBDIIWSGXTGR-APWZRJJASA-N 2 0 349.544 3.027 20 0 EGADRP CCOC(=O)CCCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184751266 455441150 /nfs/dbraw/zinc/44/11/50/455441150.db2.gz RDZMKMOKSIVXHJ-ROUUACIJSA-N 2 0 346.515 3.466 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000182202007 455460159 /nfs/dbraw/zinc/46/01/59/455460159.db2.gz VOAVQSDOYHIZPF-ROUUACIJSA-N 2 0 344.499 3.081 20 0 EGADRP C[C@@H](CCNC(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000182448781 455516569 /nfs/dbraw/zinc/51/65/69/455516569.db2.gz TXMINMWPZRLYRB-INIZCTEOSA-N 2 0 332.492 3.134 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1(C)C ZINC000185210246 455521450 /nfs/dbraw/zinc/52/14/50/455521450.db2.gz MCSRHANEZVJMAB-FJIDUMEYSA-N 2 0 326.525 3.058 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246837370 455529209 /nfs/dbraw/zinc/52/92/09/455529209.db2.gz ASRVLQUWJNMUQD-JBACZVJFSA-N 2 0 329.532 3.452 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@@H](C)C1 ZINC000246874003 455532327 /nfs/dbraw/zinc/53/23/27/455532327.db2.gz DPZMTJUVWRMTIK-AZUAARDMSA-N 2 0 330.516 3.363 20 0 EGADRP CCCC[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000246967721 455539573 /nfs/dbraw/zinc/53/95/73/455539573.db2.gz JEBDHTDTLFRGHW-NQIIRXRSSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000182586309 455547799 /nfs/dbraw/zinc/54/77/99/455547799.db2.gz ZRFLYCXZOOCKTO-SFHVURJKSA-N 2 0 326.488 3.164 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000247048239 455551124 /nfs/dbraw/zinc/55/11/24/455551124.db2.gz OQJYKTFEIDYEPH-MBOZVWFJSA-N 2 0 332.536 3.460 20 0 EGADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000192101236 455557508 /nfs/dbraw/zinc/55/75/08/455557508.db2.gz SWTRSGKOWROQPV-HZPDHXFCSA-N 2 0 331.504 3.051 20 0 EGADRP CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247115915 455561748 /nfs/dbraw/zinc/56/17/48/455561748.db2.gz AGOLLZQMUDGETH-ZCNNSNEGSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000247124305 455562617 /nfs/dbraw/zinc/56/26/17/455562617.db2.gz DTHSVPKVSAVVJW-GTAWCEEGSA-N 2 0 346.540 3.151 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192138302 455563365 /nfs/dbraw/zinc/56/33/65/455563365.db2.gz GNNADEYTAIZWDF-ROUUACIJSA-N 2 0 335.398 3.370 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000247164717 455568308 /nfs/dbraw/zinc/56/83/08/455568308.db2.gz XZLFZFIRXVMOFG-XJKSGUPXSA-N 2 0 337.895 3.297 20 0 EGADRP COc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185758667 455615172 /nfs/dbraw/zinc/61/51/72/455615172.db2.gz ISOZWNCKUMYNII-IAGOWNOFSA-N 2 0 332.488 3.317 20 0 EGADRP Cc1ccc2nc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000283999467 455621562 /nfs/dbraw/zinc/62/15/62/455621562.db2.gz PFEMFSMGWOSVNY-UHFFFAOYSA-N 2 0 335.455 3.044 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000271432563 455634475 /nfs/dbraw/zinc/63/44/75/455634475.db2.gz BEAJQFNZAURFMO-QMKUDKLTSA-N 2 0 346.515 3.155 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271438603 455636455 /nfs/dbraw/zinc/63/64/55/455636455.db2.gz CCVYWPBUUCYPPE-MSPZUWAUSA-N 2 0 346.490 3.417 20 0 EGADRP CC(C)CCOc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185880824 455640819 /nfs/dbraw/zinc/64/08/19/455640819.db2.gz FVRJZCSQHXCWOH-IBGZPJMESA-N 2 0 347.547 3.227 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000271464771 455647419 /nfs/dbraw/zinc/64/74/19/455647419.db2.gz KVNKZKFPXYCULG-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000247944399 455658076 /nfs/dbraw/zinc/65/80/76/455658076.db2.gz DISSCLQXDYXUCZ-OWCLPIDISA-N 2 0 346.544 3.014 20 0 EGADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247951611 455659322 /nfs/dbraw/zinc/65/93/22/455659322.db2.gz FBKFMNDMAWWWCO-IEBWSBKVSA-N 2 0 333.520 3.213 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc(OCC[NH+](C)C)c1 ZINC000271513485 455667583 /nfs/dbraw/zinc/66/75/83/455667583.db2.gz OCCVKCQSXBITMA-RDTXWAMCSA-N 2 0 328.460 3.078 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000268447150 455685718 /nfs/dbraw/zinc/68/57/18/455685718.db2.gz UTHAOALFUDGRNN-UHFFFAOYSA-N 2 0 331.287 3.318 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1F ZINC000248146139 455688033 /nfs/dbraw/zinc/68/80/33/455688033.db2.gz QFJPXBOISKYSJL-HOCLYGCPSA-N 2 0 340.508 3.435 20 0 EGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)Cc1ccsc1 ZINC000192834750 455703709 /nfs/dbraw/zinc/70/37/09/455703709.db2.gz HVMIBMQWNXTXJV-SFHVURJKSA-N 2 0 337.577 3.417 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000186152151 455704120 /nfs/dbraw/zinc/70/41/20/455704120.db2.gz QXTAKKYMRYWBNB-OXQOHEQNSA-N 2 0 329.532 3.154 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1(C)C ZINC000248827360 455732952 /nfs/dbraw/zinc/73/29/52/455732952.db2.gz MCSRHANEZVJMAB-ZJPYXAASSA-N 2 0 326.525 3.058 20 0 EGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000268951446 455741638 /nfs/dbraw/zinc/74/16/38/455741638.db2.gz CKPWDBKGMRJDRV-LBPRGKRZSA-N 2 0 330.444 3.109 20 0 EGADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268954025 455742685 /nfs/dbraw/zinc/74/26/85/455742685.db2.gz CYSZAYMIQFQNEO-CQSZACIVSA-N 2 0 344.421 3.073 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCC4OCCCO4)CC[C@@H]32)cc1 ZINC000268975821 455750157 /nfs/dbraw/zinc/75/01/57/455750157.db2.gz JDBKGKSEYKCGSN-UXHICEINSA-N 2 0 344.499 3.126 20 0 EGADRP COCCC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000268994719 455757404 /nfs/dbraw/zinc/75/74/04/455757404.db2.gz HKCYFAPZEGCRCA-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP COCC[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000269014076 455763637 /nfs/dbraw/zinc/76/36/37/455763637.db2.gz XZXXKGIOPLUMKO-GOSISDBHSA-N 2 0 334.504 3.072 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(C)o1 ZINC000278213566 455787533 /nfs/dbraw/zinc/78/75/33/455787533.db2.gz IFDGNINHGVMCFT-KRWDZBQOSA-N 2 0 341.499 3.495 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000186582881 455798734 /nfs/dbraw/zinc/79/87/34/455798734.db2.gz MLERMNRGZLBIHS-PKOBYXMFSA-N 2 0 333.520 3.070 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000186601508 455803618 /nfs/dbraw/zinc/80/36/18/455803618.db2.gz NJCGKLJPLGYGLB-KMFTYDHNSA-N 2 0 329.532 3.328 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH2+]CC)CC2)cc1 ZINC000269186425 455807405 /nfs/dbraw/zinc/80/74/05/455807405.db2.gz GKKVZEISLWNPHB-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP c1cnc2c(c1)cccc2CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294241695 455808465 /nfs/dbraw/zinc/80/84/65/455808465.db2.gz PFVSKKBIFVGAPB-UHFFFAOYSA-N 2 0 332.451 3.431 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000285561326 455870316 /nfs/dbraw/zinc/87/03/16/455870316.db2.gz HGTQBLHXWPLNMX-QGTPRVQTSA-N 2 0 332.488 3.160 20 0 EGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000194807498 455886043 /nfs/dbraw/zinc/88/60/43/455886043.db2.gz FBQMUUJEQMEOFL-AWEZNQCLSA-N 2 0 327.476 3.227 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261605472 455911570 /nfs/dbraw/zinc/91/15/70/455911570.db2.gz COOJTWZIOZWLLU-OKDNKWQNSA-N 2 0 330.476 3.139 20 0 EGADRP CO[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000261643603 455919547 /nfs/dbraw/zinc/91/95/47/455919547.db2.gz IPAIXSABVPIEBU-PKOBYXMFSA-N 2 0 326.440 3.417 20 0 EGADRP [NH3+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261646310 455921406 /nfs/dbraw/zinc/92/14/06/455921406.db2.gz ASTOYFSNNRAPMZ-GFCCVEGCSA-N 2 0 338.377 3.266 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1c1ccccc1 ZINC000261656395 455922755 /nfs/dbraw/zinc/92/27/55/455922755.db2.gz HUUCVIXEXKLSKO-WBVHZDCISA-N 2 0 338.480 3.313 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272372806 455929094 /nfs/dbraw/zinc/92/90/94/455929094.db2.gz UZEWIRHGFMMSKB-XCZFOBESSA-N 2 0 328.500 3.300 20 0 EGADRP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272378426 455930887 /nfs/dbraw/zinc/93/08/87/455930887.db2.gz BMOLYBYCHXWUQB-CRAIPNDOSA-N 2 0 329.513 3.494 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1c1ccccc1 ZINC000261703900 455931417 /nfs/dbraw/zinc/93/14/17/455931417.db2.gz JWHDJBPILNOKRQ-CTNGQTDRSA-N 2 0 332.451 3.047 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261815463 455953513 /nfs/dbraw/zinc/95/35/13/455953513.db2.gz NRRPARNDSYUPLK-VQIMIIECSA-N 2 0 331.504 3.118 20 0 EGADRP OC[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000272476431 455963935 /nfs/dbraw/zinc/96/39/35/455963935.db2.gz AKEQNYXWOIWWOJ-FNAHDJPLSA-N 2 0 336.479 3.220 20 0 EGADRP CC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)C1(C(=O)OC)CCC1 ZINC000272478962 455964298 /nfs/dbraw/zinc/96/42/98/455964298.db2.gz JBCBKAXFOMCNTM-INIZCTEOSA-N 2 0 329.444 3.207 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000261882325 455964991 /nfs/dbraw/zinc/96/49/91/455964991.db2.gz ZFQHJSXZZURURL-IEBWSBKVSA-N 2 0 329.488 3.376 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000270502631 455969870 /nfs/dbraw/zinc/96/98/70/455969870.db2.gz NZJNULSDAGDAOC-NJYVYQBISA-N 2 0 340.511 3.446 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187962132 455972958 /nfs/dbraw/zinc/97/29/58/455972958.db2.gz SXMSZNUPSMPGGJ-VXKWHMMOSA-N 2 0 343.559 3.360 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccccc1-n1ccnn1 ZINC000286078281 455973548 /nfs/dbraw/zinc/97/35/48/455973548.db2.gz LJMRPIGXMRVYCL-DLBZAZTESA-N 2 0 327.476 3.182 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000272509707 455975811 /nfs/dbraw/zinc/97/58/11/455975811.db2.gz FZXJVZXBFFOKKL-KRWDZBQOSA-N 2 0 326.488 3.314 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000261983596 455981435 /nfs/dbraw/zinc/98/14/35/455981435.db2.gz JAFVAVBNIDFHQO-MRXNPFEDSA-N 2 0 339.483 3.488 20 0 EGADRP COc1c(O)cccc1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272612920 456013603 /nfs/dbraw/zinc/01/36/03/456013603.db2.gz KSYSOSBDPIMHFC-APWZRJJASA-N 2 0 340.467 3.401 20 0 EGADRP CS[C@@H](CO)[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286336872 456026485 /nfs/dbraw/zinc/02/64/85/456026485.db2.gz YDBHESDKOIHZBC-RXQRSOPUSA-N 2 0 336.545 3.132 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272657432 456027719 /nfs/dbraw/zinc/02/77/19/456027719.db2.gz LZJTYXRPFUMVBX-BHIYHBOVSA-N 2 0 328.456 3.122 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000262661287 456051110 /nfs/dbraw/zinc/05/11/10/456051110.db2.gz NSRIBGMGQFBODX-ICSRJNTNSA-N 2 0 343.515 3.109 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000262713892 456054203 /nfs/dbraw/zinc/05/42/03/456054203.db2.gz SVVZBJMJLRCJIN-APWZRJJASA-N 2 0 331.504 3.284 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)c1 ZINC000280811321 456056964 /nfs/dbraw/zinc/05/69/64/456056964.db2.gz IBMARAWFSMOIAG-ZYSHUDEJSA-N 2 0 332.488 3.206 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)cc1 ZINC000272757855 456062360 /nfs/dbraw/zinc/06/23/60/456062360.db2.gz FOZFWAJWYQYIDP-KRWDZBQOSA-N 2 0 343.515 3.299 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000280900023 456076008 /nfs/dbraw/zinc/07/60/08/456076008.db2.gz PRMJFLRSJHOIMC-XLIONFOSSA-N 2 0 329.532 3.415 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000297069006 456108043 /nfs/dbraw/zinc/10/80/43/456108043.db2.gz JKNRYSOSKLQQPI-UHFFFAOYSA-N 2 0 327.472 3.080 20 0 EGADRP CC[N@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226438943 456110845 /nfs/dbraw/zinc/11/08/45/456110845.db2.gz OPXQQNLJOVHWFN-CQSZACIVSA-N 2 0 341.293 3.149 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000272955524 456123648 /nfs/dbraw/zinc/12/36/48/456123648.db2.gz QXXWCQHZKPCCEI-INIZCTEOSA-N 2 0 343.471 3.190 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297154069 456135627 /nfs/dbraw/zinc/13/56/27/456135627.db2.gz AZGVCQABLYMSLW-HIFRSBDPSA-N 2 0 325.884 3.059 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236687020 456169572 /nfs/dbraw/zinc/16/95/72/456169572.db2.gz DUOADNZNUCUAGI-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1c(Cl)cccc1-n1ccnc1 ZINC000297280117 456169984 /nfs/dbraw/zinc/16/99/84/456169984.db2.gz LHEUBMSPXSENEC-CKEIUWERSA-N 3 0 332.879 3.344 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1)C(C)C ZINC000289956780 456194448 /nfs/dbraw/zinc/19/44/48/456194448.db2.gz PONHQSWTVGEMQS-NRFANRHFSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189004246 456195195 /nfs/dbraw/zinc/19/51/95/456195195.db2.gz VJQBARPVSNQEHD-KRWDZBQOSA-N 2 0 344.478 3.425 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000236937165 456204416 /nfs/dbraw/zinc/20/44/16/456204416.db2.gz MWVOPICDLPFNKB-UGSOOPFHSA-N 2 0 326.444 3.198 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1C ZINC000273187384 456206352 /nfs/dbraw/zinc/20/63/52/456206352.db2.gz PDRDWFGULWNZDP-ZWKOTPCHSA-N 2 0 334.504 3.200 20 0 EGADRP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000273186286 456206919 /nfs/dbraw/zinc/20/69/19/456206919.db2.gz GAGGMJFQFQFBNX-AYWYSENESA-N 2 0 330.516 3.428 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189040482 456207864 /nfs/dbraw/zinc/20/78/64/456207864.db2.gz RCTPGIVXAOEDOJ-VXKWHMMOSA-N 2 0 343.559 3.405 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000271313725 456215643 /nfs/dbraw/zinc/21/56/43/456215643.db2.gz JDTBQNSWKNUKRB-OAHLLOKOSA-N 2 0 331.435 3.054 20 0 EGADRP CCc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301811345 456220758 /nfs/dbraw/zinc/22/07/58/456220758.db2.gz XOFUOWFQCXKFGS-GOSISDBHSA-N 2 0 338.499 3.013 20 0 EGADRP COCCC1(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000189093472 456224530 /nfs/dbraw/zinc/22/45/30/456224530.db2.gz YTCNZKMZHIYVBM-OALUTQOASA-N 2 0 340.552 3.452 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237191988 456244179 /nfs/dbraw/zinc/24/41/79/456244179.db2.gz VBFZNIIOQMPGJH-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP COc1ncccc1CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290204595 456266173 /nfs/dbraw/zinc/26/61/73/456266173.db2.gz PJZIBBCKSXHDRD-PXNSSMCTSA-N 2 0 339.483 3.275 20 0 EGADRP C[C@@H]1CN(c2ccccc2C[NH+]2CCC(CC[NH+](C)C)CC2)CCO1 ZINC000297629505 456267066 /nfs/dbraw/zinc/26/70/66/456267066.db2.gz HPRXYARMLYNQRA-GOSISDBHSA-N 2 0 345.531 3.075 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CCCCCOc1ccccc1 ZINC000275670373 456281351 /nfs/dbraw/zinc/28/13/51/456281351.db2.gz FUWINISDIWPRGL-LJQANCHMSA-N 2 0 334.504 3.062 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCOCC2CC2)CC3)cc1 ZINC000342868562 456284463 /nfs/dbraw/zinc/28/44/63/456284463.db2.gz OQSLIDZVAHMEIO-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(C2CC2)c1)N1CC[NH+](C)CC1 ZINC000340175047 456292267 /nfs/dbraw/zinc/29/22/67/456292267.db2.gz WEKZUDOJPFEWMF-UTKZUKDTSA-N 2 0 329.532 3.487 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000290339901 456297519 /nfs/dbraw/zinc/29/75/19/456297519.db2.gz FICBKLYALTZSOG-SFHVURJKSA-N 2 0 332.488 3.258 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000347685689 456305754 /nfs/dbraw/zinc/30/57/54/456305754.db2.gz HRTFICPJASGILO-ZWKOTPCHSA-N 2 0 340.556 3.057 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000336791812 456310376 /nfs/dbraw/zinc/31/03/76/456310376.db2.gz PDNUQOHKCJOVLI-LJQANCHMSA-N 2 0 340.467 3.403 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C[C@H](C)O1 ZINC000352808795 456327359 /nfs/dbraw/zinc/32/73/59/456327359.db2.gz ZJXPOIGHVZPUOP-CALCHBBNSA-N 2 0 341.499 3.489 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000275853006 456333230 /nfs/dbraw/zinc/33/32/30/456333230.db2.gz LJYPPPBIKJSTHQ-AABGKKOBSA-N 2 0 341.503 3.180 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+]C3CCC4(CCCC4)CC3)ccn2)CC1 ZINC000352845334 456359431 /nfs/dbraw/zinc/35/94/31/456359431.db2.gz IAZAYZYUYOBPBY-UHFFFAOYSA-N 2 0 342.531 3.426 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)nnn1-c1ccccc1 ZINC000340477374 456485078 /nfs/dbraw/zinc/48/50/78/456485078.db2.gz VBIUNBYBGJVIDF-QGZVFWFLSA-N 2 0 341.503 3.492 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1Cl ZINC000282141714 456424303 /nfs/dbraw/zinc/42/43/03/456424303.db2.gz CCUJRHCJRFEPEO-CYBMUJFWSA-N 2 0 327.875 3.156 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)oc1C ZINC000282146185 456425645 /nfs/dbraw/zinc/42/56/45/456425645.db2.gz KVUFXRXOGFVLCM-HNNXBMFYSA-N 2 0 343.471 3.039 20 0 EGADRP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347971596 456432194 /nfs/dbraw/zinc/43/21/94/456432194.db2.gz XYUFCUMNRNHOHF-DFQSSKMNSA-N 2 0 341.499 3.383 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000353044545 456459160 /nfs/dbraw/zinc/45/91/60/456459160.db2.gz FXGFABHAFOUMHD-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(N(C)C)s2)c1 ZINC000340438020 456462685 /nfs/dbraw/zinc/46/26/85/456462685.db2.gz XYXUGENEJAOFOC-UHFFFAOYSA-N 2 0 332.517 3.339 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340455058 456469937 /nfs/dbraw/zinc/46/99/37/456469937.db2.gz QSADBAQOOGGQFX-UAGQMJEPSA-N 2 0 328.435 3.289 20 0 EGADRP C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474007 456480952 /nfs/dbraw/zinc/48/09/52/456480952.db2.gz GBKNXHPAHUONBL-SJLPKXTDSA-N 2 0 327.447 3.436 20 0 EGADRP Cc1cccc(OC[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298556581 456489034 /nfs/dbraw/zinc/48/90/34/456489034.db2.gz VLWYNZSLKDIOFA-KRWDZBQOSA-N 2 0 325.456 3.416 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000282423815 456508746 /nfs/dbraw/zinc/50/87/46/456508746.db2.gz STYWZNKWFUHGMI-AWEZNQCLSA-N 2 0 339.524 3.224 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298887962 456562845 /nfs/dbraw/zinc/56/28/45/456562845.db2.gz KXDKXNKZOBZKTB-HOTGVXAUSA-N 2 0 347.478 3.397 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000307946234 456570936 /nfs/dbraw/zinc/57/09/36/456570936.db2.gz JDVOUBWPZKFVSM-DLBZAZTESA-N 2 0 344.421 3.192 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@H]([NH+](C)C)CC3)c2cc1OC ZINC000298939627 456572246 /nfs/dbraw/zinc/57/22/46/456572246.db2.gz PNWHXZAEEYSRLE-AWEZNQCLSA-N 2 0 329.444 3.173 20 0 EGADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000310139113 456579700 /nfs/dbraw/zinc/57/97/00/456579700.db2.gz MRIGONYSZPOZEI-XIYVOTBMSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@H]([NH2+]CCCOCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310474108 456584289 /nfs/dbraw/zinc/58/42/89/456584289.db2.gz CEPJDEVYIBUTHU-RDJZCZTQSA-N 2 0 344.421 3.456 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C(F)F)c1 ZINC000291284906 456591568 /nfs/dbraw/zinc/59/15/68/456591568.db2.gz VCXGQYFDLFRTNZ-UHFFFAOYSA-N 2 0 336.430 3.488 20 0 EGADRP Cc1nccn1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291411243 456637253 /nfs/dbraw/zinc/63/72/53/456637253.db2.gz GJZYELRFQKRGRS-UHFFFAOYSA-N 2 0 338.499 3.180 20 0 EGADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000337991573 456642021 /nfs/dbraw/zinc/64/20/21/456642021.db2.gz XKAOHKKTIPJPST-YOEHRIQHSA-N 2 0 344.421 3.073 20 0 EGADRP O[C@@H]1CCC[C@]1(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000277012495 456653494 /nfs/dbraw/zinc/65/34/94/456653494.db2.gz CELICMMBLCHHBX-DOIPELPJSA-N 2 0 346.490 3.116 20 0 EGADRP COC1(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CCOCC1 ZINC000277078183 456672883 /nfs/dbraw/zinc/67/28/83/456672883.db2.gz TZTPMNCQWRJGOT-UHFFFAOYSA-N 2 0 346.515 3.348 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000291591206 456689880 /nfs/dbraw/zinc/68/98/80/456689880.db2.gz QXYONKSFUJMILB-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000299431812 456690717 /nfs/dbraw/zinc/69/07/17/456690717.db2.gz LUOGMKUPFYDELM-HXUWFJFHSA-N 2 0 337.467 3.351 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000343563182 456708865 /nfs/dbraw/zinc/70/88/65/456708865.db2.gz GIHMSFBIKKXMSH-HNNXBMFYSA-N 2 0 343.471 3.099 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000353490434 456711262 /nfs/dbraw/zinc/71/12/62/456711262.db2.gz QQECYHOEHPRFEO-MAUKXSAKSA-N 2 0 332.467 3.359 20 0 EGADRP CSC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000291675073 456716586 /nfs/dbraw/zinc/71/65/86/456716586.db2.gz WQGUFDFONOEHJP-GOSISDBHSA-N 2 0 334.529 3.153 20 0 EGADRP COCC1(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000291689346 456721105 /nfs/dbraw/zinc/72/11/05/456721105.db2.gz IWBLHRRHKOYKGW-UHFFFAOYSA-N 2 0 348.531 3.177 20 0 EGADRP C[C@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)CCN1C1CC[NH+](C)CC1 ZINC000343714093 456768047 /nfs/dbraw/zinc/76/80/47/456768047.db2.gz POOQDTDJVMZCNM-YWZLYKJASA-N 2 0 347.934 3.428 20 0 EGADRP C[C@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000343723144 456769679 /nfs/dbraw/zinc/76/96/79/456769679.db2.gz MYTPRMHOTCTETO-LAUBAEHRSA-N 2 0 327.516 3.164 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277335140 456783146 /nfs/dbraw/zinc/78/31/46/456783146.db2.gz SCDKDSKVDRCDJX-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC[NH+](C)CC1 ZINC000353629987 456816231 /nfs/dbraw/zinc/81/62/31/456816231.db2.gz LLCNSFMJXUQWMB-INIZCTEOSA-N 2 0 344.528 3.350 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000338434495 456817251 /nfs/dbraw/zinc/81/72/51/456817251.db2.gz CUOBJRCQCPTXTQ-ZWKOTPCHSA-N 2 0 343.515 3.275 20 0 EGADRP CCc1nc2c(s1)[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CCC2 ZINC000353649401 456829832 /nfs/dbraw/zinc/82/98/32/456829832.db2.gz NVXGZLGRKXQLGM-CYBMUJFWSA-N 2 0 339.574 3.500 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH+](CC)CC)c2ccccc21 ZINC000338686512 456853156 /nfs/dbraw/zinc/85/31/56/456853156.db2.gz HIRBJJZEYRKLDG-MOPGFXCFSA-N 2 0 332.488 3.490 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CCCOC(C)C)CC1 ZINC000353741581 456883329 /nfs/dbraw/zinc/88/33/29/456883329.db2.gz SCRBXAMOZXRHHZ-UHFFFAOYSA-N 2 0 333.520 3.075 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000345156452 456945810 /nfs/dbraw/zinc/94/58/10/456945810.db2.gz KCNPIHMVXMCRAQ-IAGOWNOFSA-N 2 0 331.504 3.016 20 0 EGADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCCCC(C)(C)C ZINC000341806680 456952365 /nfs/dbraw/zinc/95/23/65/456952365.db2.gz KXROFKZXWOABOD-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(N(C)C)nc2)CC1)CC(C)C ZINC000349411063 456964616 /nfs/dbraw/zinc/96/46/16/456964616.db2.gz WNBSOWYXXLRYGN-UHFFFAOYSA-N 2 0 347.551 3.123 20 0 EGADRP COc1ccc(C)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000353997176 456995634 /nfs/dbraw/zinc/99/56/34/456995634.db2.gz QOMZUQORXQFCIJ-UHFFFAOYSA-N 2 0 332.488 3.080 20 0 EGADRP CCOc1ccccc1C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000354025597 457017549 /nfs/dbraw/zinc/01/75/49/457017549.db2.gz GMDGAWHFFXFGDP-UHFFFAOYSA-N 2 0 334.504 3.408 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000346286629 457028785 /nfs/dbraw/zinc/02/87/85/457028785.db2.gz RFEVYMNDUZIJBC-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000354100392 457061784 /nfs/dbraw/zinc/06/17/84/457061784.db2.gz LYSYBZDAGNMHPI-LJQANCHMSA-N 2 0 327.472 3.168 20 0 EGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000359567339 457097288 /nfs/dbraw/zinc/09/72/88/457097288.db2.gz WZZDMWGTYVZIHT-CGTJXYLNSA-N 2 0 347.503 3.232 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C/C=C\c2ccc(F)cc2F)C[C@H](C)O1 ZINC000349904312 457101189 /nfs/dbraw/zinc/10/11/89/457101189.db2.gz JHLDZVDOVTXYNO-HNXFAEETSA-N 2 0 338.442 3.457 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]21 ZINC000342091855 457103557 /nfs/dbraw/zinc/10/35/57/457103557.db2.gz CXRKVVKJGAACOX-SESVDKBCSA-N 2 0 337.467 3.220 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000346693560 457114544 /nfs/dbraw/zinc/11/45/44/457114544.db2.gz NWENITLIOYAKJW-UHFFFAOYSA-N 2 0 348.878 3.060 20 0 EGADRP CSc1ccc([C@H](C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)N(C)C)cc1 ZINC000339590274 457158815 /nfs/dbraw/zinc/15/88/15/457158815.db2.gz HYHVVQZGGUUEEX-QOKNQOGYSA-N 2 0 333.545 3.226 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362924813 457159008 /nfs/dbraw/zinc/15/90/08/457159008.db2.gz AFMVRNHKRLRHLU-FQEVSTJZSA-N 2 0 328.500 3.456 20 0 EGADRP CCc1ccc(CN(C)C(=O)CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000350066070 457159100 /nfs/dbraw/zinc/15/91/00/457159100.db2.gz CVXPXLGSVRCUNR-PXNSSMCTSA-N 2 0 345.531 3.012 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356901403 457208544 /nfs/dbraw/zinc/20/85/44/457208544.db2.gz PNIORODZZIKOKX-HKUYNNGSSA-N 2 0 334.504 3.312 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000339681096 457210734 /nfs/dbraw/zinc/21/07/34/457210734.db2.gz DWSXYMBHFJWEGS-IRXDYDNUSA-N 2 0 335.561 3.475 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363136448 457234914 /nfs/dbraw/zinc/23/49/14/457234914.db2.gz IRQBENNNQMYAGP-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP Fc1cccc(-c2cnc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000357077651 457310885 /nfs/dbraw/zinc/31/08/85/457310885.db2.gz KUTUCQQWTIPGNW-INIZCTEOSA-N 2 0 329.419 3.302 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCCn2ccnc2C)CC1)CC1CC1 ZINC000357090129 457317175 /nfs/dbraw/zinc/31/71/75/457317175.db2.gz VTMMUXFSKZZYBI-UHFFFAOYSA-N 2 0 332.536 3.416 20 0 EGADRP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000357106611 457326204 /nfs/dbraw/zinc/32/62/04/457326204.db2.gz DBIXDSNHWIAKIB-PJVZLEMVSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[NH+](CC)CC ZINC000342507977 457341109 /nfs/dbraw/zinc/34/11/09/457341109.db2.gz KXJGAUVSFHESCI-GOSISDBHSA-N 2 0 344.503 3.262 20 0 EGADRP Cc1cnc([C@H](C)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447233 457373426 /nfs/dbraw/zinc/37/34/26/457373426.db2.gz JNUVTPRJWSOCAD-WDSOQIARSA-N 2 0 325.456 3.498 20 0 EGADRP [NH3+]C1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)Cc2ccccc2C1 ZINC000373866709 457375506 /nfs/dbraw/zinc/37/55/06/457375506.db2.gz CMOQKZRRKKFBNA-UHFFFAOYSA-N 2 0 349.478 3.107 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000390809069 457441558 /nfs/dbraw/zinc/44/15/58/457441558.db2.gz PRMZYNFNEJGZJX-CVEARBPZSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@](O)(C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000393886142 457469446 /nfs/dbraw/zinc/46/94/46/457469446.db2.gz RXDTVSVVZPHQSA-SJORKVTESA-N 2 0 344.421 3.192 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1)C1CC1 ZINC000357363083 457472901 /nfs/dbraw/zinc/47/29/01/457472901.db2.gz NOOWYPLTWUKMIE-IBGZPJMESA-N 2 0 329.488 3.014 20 0 EGADRP C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395230783 457476688 /nfs/dbraw/zinc/47/66/88/457476688.db2.gz VRLYTEUUSZSCPS-SESVDKBCSA-N 2 0 329.532 3.409 20 0 EGADRP C[C@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000347527564 457486783 /nfs/dbraw/zinc/48/67/83/457486783.db2.gz RZSCPPUETQZZCH-KRWDZBQOSA-N 2 0 349.478 3.026 20 0 EGADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401047003 457522998 /nfs/dbraw/zinc/52/29/98/457522998.db2.gz RKVFDRXKUNZZRX-BURNTYAHSA-N 2 0 329.532 3.121 20 0 EGADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000425409149 457539602 /nfs/dbraw/zinc/53/96/02/457539602.db2.gz ABNFKUXODNSRIZ-NJDAHSKKSA-N 2 0 328.500 3.398 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc2C1 ZINC000361052201 457545597 /nfs/dbraw/zinc/54/55/97/457545597.db2.gz MHYQASXECDQRGA-WIYYLYMNSA-N 2 0 343.515 3.190 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000374271676 457559302 /nfs/dbraw/zinc/55/93/02/457559302.db2.gz UOAKPMSTAYLOAO-PZJWPPBQSA-N 2 0 346.515 3.072 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCSC3CCCCC3)C2)CC1 ZINC000374278221 457564187 /nfs/dbraw/zinc/56/41/87/457564187.db2.gz DQIFXVPCJCYKHZ-GOSISDBHSA-N 2 0 339.593 3.153 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccs3)CC2)CC1 ZINC000374284168 457568474 /nfs/dbraw/zinc/56/84/74/457568474.db2.gz OMAYSBCQAUORDY-UHFFFAOYSA-N 2 0 335.561 3.376 20 0 EGADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357532754 457582844 /nfs/dbraw/zinc/58/28/44/457582844.db2.gz VKOKEVPTFCWQSC-YLJYHZDGSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]CCc2ccc(F)cc2Cl)CCCO1 ZINC000356393084 457602124 /nfs/dbraw/zinc/60/21/24/457602124.db2.gz KTUGQORZLCKGIR-AWEZNQCLSA-N 2 0 328.859 3.112 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000370267226 457603106 /nfs/dbraw/zinc/60/31/06/457603106.db2.gz RCPKHWXYFJWBLF-ALXJQNPVSA-N 2 0 332.488 3.205 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000370304851 457614662 /nfs/dbraw/zinc/61/46/62/457614662.db2.gz CJNSDFXVCLRCSA-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000357640416 457635802 /nfs/dbraw/zinc/63/58/02/457635802.db2.gz ZZCPLAJGMUTVIV-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP CN(CCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000361273434 457674313 /nfs/dbraw/zinc/67/43/13/457674313.db2.gz OJTVMQRYDFUXON-GOSISDBHSA-N 2 0 349.906 3.253 20 0 EGADRP CO[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000374695291 457689171 /nfs/dbraw/zinc/68/91/71/457689171.db2.gz SGRCUXLREAWKEZ-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP Cc1csc(N2CCC([NH2+]C[C@@H](C)N3CCCC[C@@H]3C)CC2)n1 ZINC000361344236 457700317 /nfs/dbraw/zinc/70/03/17/457700317.db2.gz RLKMKGSUCBJSKH-JKSUJKDBSA-N 2 0 336.549 3.273 20 0 EGADRP CCOc1ccccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370687589 457701555 /nfs/dbraw/zinc/70/15/55/457701555.db2.gz FGWAUSPPQWBOCN-UHFFFAOYSA-N 2 0 345.531 3.076 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000357882367 457722297 /nfs/dbraw/zinc/72/22/97/457722297.db2.gz XLKVBQJERFROGI-XLIONFOSSA-N 2 0 345.531 3.223 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000357889338 457724615 /nfs/dbraw/zinc/72/46/15/457724615.db2.gz ZMJAYHHGQXAVGJ-HIFRSBDPSA-N 2 0 345.409 3.189 20 0 EGADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358042619 457749251 /nfs/dbraw/zinc/74/92/51/457749251.db2.gz VYYILZNLBKDRBV-APWZRJJASA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000433075516 457751161 /nfs/dbraw/zinc/75/11/61/457751161.db2.gz KYZKKVZFRWTLDS-NRFANRHFSA-N 2 0 329.532 3.282 20 0 EGADRP CCc1ccc([C@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000433078164 457753268 /nfs/dbraw/zinc/75/32/68/457753268.db2.gz UXKSWWLUWLOAFZ-QFIPXVFZSA-N 2 0 343.559 3.454 20 0 EGADRP CCCn1ccc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc21 ZINC000433131408 457763227 /nfs/dbraw/zinc/76/32/27/457763227.db2.gz VAZRSWMVNJSNHD-UHFFFAOYSA-N 2 0 342.487 3.193 20 0 EGADRP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000375088173 457787000 /nfs/dbraw/zinc/78/70/00/457787000.db2.gz QEUAGZAAYQQGJJ-LSDHHAIUSA-N 2 0 336.549 3.086 20 0 EGADRP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443607379 457787012 /nfs/dbraw/zinc/78/70/12/457787012.db2.gz ZVPGAOAWXCEDEF-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375234761 457842377 /nfs/dbraw/zinc/84/23/77/457842377.db2.gz UAPCJVHTVHBTTP-LJQANCHMSA-N 2 0 329.532 3.406 20 0 EGADRP C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411295523 457851602 /nfs/dbraw/zinc/85/16/02/457851602.db2.gz QJPCKVFHANVVKV-DGGJZMOXSA-N 2 0 334.529 3.014 20 0 EGADRP COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411325602 457857206 /nfs/dbraw/zinc/85/72/06/457857206.db2.gz ZURFBSAOCLKYOM-HXUWFJFHSA-N 2 0 330.472 3.058 20 0 EGADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411475703 457898127 /nfs/dbraw/zinc/89/81/27/457898127.db2.gz TUXBPVXGLXYKMR-VQTJNVASSA-N 2 0 341.499 3.029 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358282297 457909031 /nfs/dbraw/zinc/90/90/31/457909031.db2.gz CEVQLKWSKZBTPN-ACRUOGEOSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000411661080 457941529 /nfs/dbraw/zinc/94/15/29/457941529.db2.gz LMOQSYXXVPBYRT-NQIIRXRSSA-N 2 0 344.499 3.052 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000458157126 457948283 /nfs/dbraw/zinc/94/82/83/457948283.db2.gz CGKXLHPVKDQNJB-SFHVURJKSA-N 2 0 345.531 3.379 20 0 EGADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358346696 457948526 /nfs/dbraw/zinc/94/85/26/457948526.db2.gz BVDOPUNJQVKXOZ-PMACEKPBSA-N 2 0 344.499 3.099 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000427160995 457951576 /nfs/dbraw/zinc/95/15/76/457951576.db2.gz DXBVILNJRCLLMH-FXAWDEMLSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000427265278 457969679 /nfs/dbraw/zinc/96/96/79/457969679.db2.gz MQJAHEGJYYQOCX-FRQCXROJSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361971948 457986047 /nfs/dbraw/zinc/98/60/47/457986047.db2.gz OIKUCNIKHADLEU-SJORKVTESA-N 2 0 327.472 3.304 20 0 EGADRP Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)ccc1C[NH+](C)C ZINC000458289354 458002264 /nfs/dbraw/zinc/00/22/64/458002264.db2.gz QJAZXNSTVJYJQE-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358517177 458050810 /nfs/dbraw/zinc/05/08/10/458050810.db2.gz PLQDBPXJAPOAOU-HNNXBMFYSA-N 2 0 349.906 3.359 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000428217950 458099018 /nfs/dbraw/zinc/09/90/18/458099018.db2.gz VGAASUQYZGZOTI-TUFLPTIASA-N 2 0 328.500 3.446 20 0 EGADRP CC[N@H+](C)CCN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100073 /nfs/dbraw/zinc/10/00/73/458100073.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 2 0 329.532 3.219 20 0 EGADRP Cc1nc(COc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cs1 ZINC000435368302 458120631 /nfs/dbraw/zinc/12/06/31/458120631.db2.gz AKCBBSMRMIMVOP-UHFFFAOYSA-N 2 0 331.485 3.201 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000369199326 458120820 /nfs/dbraw/zinc/12/08/20/458120820.db2.gz VEYZXRLYYNGSLU-UXHICEINSA-N 2 0 344.547 3.033 20 0 EGADRP Cc1nc(C)c(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000435391377 458134722 /nfs/dbraw/zinc/13/47/22/458134722.db2.gz SFIJMNJBDYVXHN-KRWDZBQOSA-N 2 0 330.501 3.299 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435395992 458135668 /nfs/dbraw/zinc/13/56/68/458135668.db2.gz UAVCLVDEOOKVHN-KRWDZBQOSA-N 2 0 325.456 3.058 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000435396180 458138256 /nfs/dbraw/zinc/13/82/56/458138256.db2.gz UXJMVGMPPJCYGH-UHFFFAOYSA-N 2 0 332.879 3.313 20 0 EGADRP CC[C@@H]1C[C@@H](C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435427292 458145083 /nfs/dbraw/zinc/14/50/83/458145083.db2.gz MEUBDFVIAGLYAG-GVDBMIGSSA-N 2 0 349.544 3.292 20 0 EGADRP COc1ccc(-c2nc(CN(C)[C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000435437310 458145886 /nfs/dbraw/zinc/14/58/86/458145886.db2.gz KDYJOXZATLHXLF-INIZCTEOSA-N 2 0 331.485 3.393 20 0 EGADRP CC1=CC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412254073 458145869 /nfs/dbraw/zinc/14/58/69/458145869.db2.gz SBDNYNDJWCFCCC-UHFFFAOYSA-N 2 0 341.499 3.054 20 0 EGADRP C[C@@H](NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626370 458176651 /nfs/dbraw/zinc/17/66/51/458176651.db2.gz ODVIHWXUJRYCHR-SJLPKXTDSA-N 2 0 339.483 3.091 20 0 EGADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000358755426 458195530 /nfs/dbraw/zinc/19/55/30/458195530.db2.gz SNWJLIPGLAUCLP-APWZRJJASA-N 2 0 340.458 3.488 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000446570807 458199398 /nfs/dbraw/zinc/19/93/98/458199398.db2.gz FKCDMQBCQBLPNW-UHFFFAOYSA-N 2 0 346.519 3.129 20 0 EGADRP CCn1nc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c2ccccc21 ZINC000372124011 458200277 /nfs/dbraw/zinc/20/02/77/458200277.db2.gz HONQEHAPAWZTAN-MRXNPFEDSA-N 2 0 337.471 3.244 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c(F)c1 ZINC000412561993 458234513 /nfs/dbraw/zinc/23/45/13/458234513.db2.gz VMAZFRAWOGAQNB-GOSISDBHSA-N 2 0 333.451 3.233 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000369615632 458290046 /nfs/dbraw/zinc/29/00/46/458290046.db2.gz LGJCNSKNKAYXIV-LJISPDSOSA-N 2 0 341.952 3.119 20 0 EGADRP O=C(Nc1ccc(-c2ncc[nH]2)cc1)[C@H]1CCCN1Cc1ccccn1 ZINC000369614264 458290317 /nfs/dbraw/zinc/29/03/17/458290317.db2.gz WSPBWGGSXZNTLH-GOSISDBHSA-N 2 0 347.422 3.075 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000429288935 458308031 /nfs/dbraw/zinc/30/80/31/458308031.db2.gz BCAGMLPNYQDKTN-RBUKOAKNSA-N 2 0 331.504 3.166 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459326433 458331218 /nfs/dbraw/zinc/33/12/18/458331218.db2.gz MMEFBOUSLZOUSX-MXNKGDRCSA-N 2 0 341.543 3.281 20 0 EGADRP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCc2cncn2C)CC1 ZINC000459335551 458333875 /nfs/dbraw/zinc/33/38/75/458333875.db2.gz GTVZGAABUNZMGF-IBGZPJMESA-N 2 0 348.441 3.010 20 0 EGADRP CN(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000459385442 458353644 /nfs/dbraw/zinc/35/36/44/458353644.db2.gz HRTILNWNCFHZOP-FQEVSTJZSA-N 2 0 342.462 3.082 20 0 EGADRP CS[C@@H]1CCCC[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429681575 458357789 /nfs/dbraw/zinc/35/77/89/458357789.db2.gz CQVQEABFDFMWKJ-VQTJNVASSA-N 2 0 348.556 3.495 20 0 EGADRP Cc1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459437490 458371754 /nfs/dbraw/zinc/37/17/54/458371754.db2.gz KZHCOXGGZMKLPC-UHFFFAOYSA-N 2 0 343.471 3.144 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000376738248 458379306 /nfs/dbraw/zinc/37/93/06/458379306.db2.gz DFTBVCJCNXPJSA-FQEVSTJZSA-N 2 0 346.515 3.456 20 0 EGADRP c1cc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc[nH+]1 ZINC000459546393 458407074 /nfs/dbraw/zinc/40/70/74/458407074.db2.gz UWUHQWKSODBMTG-NRFANRHFSA-N 3 0 342.531 3.437 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000437185997 458433398 /nfs/dbraw/zinc/43/33/98/458433398.db2.gz TXIUHNBAJYWAOX-HXUWFJFHSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423452588 458435165 /nfs/dbraw/zinc/43/51/65/458435165.db2.gz ZFKQKJWZDKPIBR-IEBWSBKVSA-N 2 0 343.515 3.047 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]2CCCO[C@@H]21 ZINC000423469788 458437572 /nfs/dbraw/zinc/43/75/72/458437572.db2.gz KOSSJWPAWRVDAN-FKICDVMDSA-N 2 0 346.490 3.312 20 0 EGADRP FC1(F)CNCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423473416 458438587 /nfs/dbraw/zinc/43/85/87/458438587.db2.gz ISBHHYKHVCCWSS-SMDDNHRTSA-N 2 0 330.806 3.388 20 0 EGADRP FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423473401 458438602 /nfs/dbraw/zinc/43/86/02/458438602.db2.gz ISBHHYKHVCCWSS-BXUZGUMPSA-N 2 0 330.806 3.388 20 0 EGADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ncc(Br)cc1F ZINC000423476719 458438638 /nfs/dbraw/zinc/43/86/38/458438638.db2.gz JLUMASZWHQVSFF-CMPLNLGQSA-N 2 0 330.245 3.166 20 0 EGADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423486401 458441140 /nfs/dbraw/zinc/44/11/40/458441140.db2.gz SPLNOSDDLJGRIZ-GDBMZVCRSA-N 2 0 330.476 3.153 20 0 EGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423511556 458447421 /nfs/dbraw/zinc/44/74/21/458447421.db2.gz NLWLAFAPPGYYHZ-XVAXZDLZSA-N 2 0 329.532 3.060 20 0 EGADRP CCOC[C@@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1COCC ZINC000459700039 458451533 /nfs/dbraw/zinc/45/15/33/458451533.db2.gz DICDLHFGAGLAES-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP C[C@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000423527199 458452494 /nfs/dbraw/zinc/45/24/94/458452494.db2.gz LYMJSDWGUDZDJN-FDTGPBLFSA-N 2 0 349.522 3.385 20 0 EGADRP Brc1cc2c(s1)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536714 458455166 /nfs/dbraw/zinc/45/51/66/458455166.db2.gz IGKGEOILVHPMQN-GFCCVEGCSA-N 2 0 327.291 3.397 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423537856 458455321 /nfs/dbraw/zinc/45/53/21/458455321.db2.gz LEJQSLCIROATBD-YPAWHYETSA-N 3 0 339.527 3.187 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1-c1ccc(F)cc1 ZINC000423536992 458455357 /nfs/dbraw/zinc/45/53/57/458455357.db2.gz BNRHVSMNKDHKEU-JXSMBQFASA-N 2 0 342.462 3.359 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000430576601 458465068 /nfs/dbraw/zinc/46/50/68/458465068.db2.gz SIPXJYCFBRVSMI-UHFFFAOYSA-N 2 0 329.444 3.172 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1OC ZINC000459740982 458465093 /nfs/dbraw/zinc/46/50/93/458465093.db2.gz UTHYQGFINQHOND-ZDUSSCGKSA-N 2 0 326.868 3.179 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000459744770 458465857 /nfs/dbraw/zinc/46/58/57/458465857.db2.gz XURMRAHZJKPNEJ-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000430583862 458466284 /nfs/dbraw/zinc/46/62/84/458466284.db2.gz XZKJBMBEDWTKLV-CRAIPNDOSA-N 2 0 333.520 3.444 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000459745904 458466503 /nfs/dbraw/zinc/46/65/03/458466503.db2.gz YTWFMAPBVQVZJU-ZDUSSCGKSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586028 458466724 /nfs/dbraw/zinc/46/67/24/458466724.db2.gz XTVGFDCQAMDRFZ-ROUUACIJSA-N 2 0 343.515 3.412 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000430595015 458469635 /nfs/dbraw/zinc/46/96/35/458469635.db2.gz WWKMMCPVVRKOQB-MRXNPFEDSA-N 2 0 336.277 3.460 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@H](C[NH3+])C1 ZINC000430617771 458471869 /nfs/dbraw/zinc/47/18/69/458471869.db2.gz OWAOEYXPPPBFNY-GVDBMIGSSA-N 2 0 339.483 3.076 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000459792561 458480132 /nfs/dbraw/zinc/48/01/32/458480132.db2.gz SKKZQXIHPBINOE-WBVHZDCISA-N 2 0 334.504 3.265 20 0 EGADRP C[NH2+]C[C@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430928768 458506459 /nfs/dbraw/zinc/50/64/59/458506459.db2.gz MHMNJFHIGULRKN-QGZVFWFLSA-N 2 0 326.440 3.399 20 0 EGADRP C[C@@H]1CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430944912 458508965 /nfs/dbraw/zinc/50/89/65/458508965.db2.gz OPKHRKBHWGMGJI-AYOQOUSVSA-N 2 0 348.450 3.495 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000430951911 458509969 /nfs/dbraw/zinc/50/99/69/458509969.db2.gz NKSHJQNTEZIJDK-MRXNPFEDSA-N 2 0 331.504 3.377 20 0 EGADRP CCCc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000468750355 458533748 /nfs/dbraw/zinc/53/37/48/458533748.db2.gz YNAPNWMPOCQENG-INIZCTEOSA-N 2 0 327.472 3.080 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC[C@H]1CCOC1 ZINC000438190317 458547333 /nfs/dbraw/zinc/54/73/33/458547333.db2.gz OGEXXUXSZSAPQH-KRWDZBQOSA-N 2 0 328.456 3.428 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000461225977 458552355 /nfs/dbraw/zinc/55/23/55/458552355.db2.gz KXDAWVGKSBVFOC-ZIFCJYIRSA-N 2 0 348.535 3.097 20 0 EGADRP CC(C)C[NH+]1CCC(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424136030 458567810 /nfs/dbraw/zinc/56/78/10/458567810.db2.gz QBQXWSZXARHXMO-GOSISDBHSA-N 2 0 337.552 3.301 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CC1CCCCC1 ZINC000424151136 458571565 /nfs/dbraw/zinc/57/15/65/458571565.db2.gz HAKXMXWLJNDWAZ-RBUKOAKNSA-N 2 0 335.536 3.151 20 0 EGADRP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)CC1CCCCC1 ZINC000424155585 458573076 /nfs/dbraw/zinc/57/30/76/458573076.db2.gz MXPZDYZDIJOZJQ-ZWKOTPCHSA-N 2 0 335.536 3.197 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438546581 458594963 /nfs/dbraw/zinc/59/49/63/458594963.db2.gz PVYRVCCLEUVSIY-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccc(Cl)c(F)c1)CC[NH2+]CC2 ZINC000424290539 458604968 /nfs/dbraw/zinc/60/49/68/458604968.db2.gz MUOKKESHDZNNKY-CYBMUJFWSA-N 2 0 326.843 3.322 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297412 458607504 /nfs/dbraw/zinc/60/75/04/458607504.db2.gz SOAPJVNNPPSFEO-AWEZNQCLSA-N 2 0 335.879 3.051 20 0 EGADRP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424295871 458607684 /nfs/dbraw/zinc/60/76/84/458607684.db2.gz RMYKPKMFIHRRTA-CQSZACIVSA-N 2 0 325.456 3.123 20 0 EGADRP [NH3+]C[C@H](CN1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000424306203 458610639 /nfs/dbraw/zinc/61/06/39/458610639.db2.gz UNMKJLCDFPWIGS-HXUWFJFHSA-N 2 0 341.474 3.076 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302466 458610684 /nfs/dbraw/zinc/61/06/84/458610684.db2.gz ZOPXTDZHAQEKLM-HNNXBMFYSA-N 2 0 330.472 3.252 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455928089 458622747 /nfs/dbraw/zinc/62/27/47/458622747.db2.gz NVQKSAXHHQBSIW-KSSFIOAISA-N 2 0 332.492 3.087 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455928092 458622756 /nfs/dbraw/zinc/62/27/56/458622756.db2.gz NVQKSAXHHQBSIW-RDTXWAMCSA-N 2 0 332.492 3.087 20 0 EGADRP CCCOc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424376284 458628971 /nfs/dbraw/zinc/62/89/71/458628971.db2.gz KVYHPZBNWKFCBC-MRXNPFEDSA-N 2 0 332.488 3.448 20 0 EGADRP CCc1cccc(F)c1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424376718 458629535 /nfs/dbraw/zinc/62/95/35/458629535.db2.gz LJACJDCMWFVXQK-UHFFFAOYSA-N 2 0 328.435 3.025 20 0 EGADRP CCCn1c2ccccc2nc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424383747 458629964 /nfs/dbraw/zinc/62/99/64/458629964.db2.gz ULZKVYYMHBTLPL-MRXNPFEDSA-N 2 0 326.488 3.410 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000439000820 458640710 /nfs/dbraw/zinc/64/07/10/458640710.db2.gz XGDVDMSODFTUMV-NVXWUHKLSA-N 2 0 347.503 3.425 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000502699829 458666535 /nfs/dbraw/zinc/66/65/35/458666535.db2.gz TWKDGKYHRAOVSP-MRXNPFEDSA-N 2 0 334.504 3.407 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000463026140 458672717 /nfs/dbraw/zinc/67/27/17/458672717.db2.gz ZBQWQMBJRQIBGQ-RTBURBONSA-N 2 0 334.504 3.309 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470979803 458672840 /nfs/dbraw/zinc/67/28/40/458672840.db2.gz PAQPROYINHMTCQ-ZBFHGGJFSA-N 2 0 349.906 3.331 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503378030 458704202 /nfs/dbraw/zinc/70/42/02/458704202.db2.gz MWZTZNBQIBLUEV-LJQANCHMSA-N 2 0 327.516 3.388 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)cc2c1C ZINC000432369481 458726165 /nfs/dbraw/zinc/72/61/65/458726165.db2.gz VWWSYQMMVOEMFP-INIZCTEOSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1)C[NH+]1CCCCC1 ZINC000494926234 458766630 /nfs/dbraw/zinc/76/66/30/458766630.db2.gz WYDJMYNVNVNRQF-IAGOWNOFSA-N 2 0 331.504 3.161 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000472092416 458766997 /nfs/dbraw/zinc/76/69/97/458766997.db2.gz BYOAFNCNSMGBIM-QZTJIDSGSA-N 2 0 340.556 3.013 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472452297 458797755 /nfs/dbraw/zinc/79/77/55/458797755.db2.gz XJWIBYRGQUFWDX-AEFFLSMTSA-N 2 0 343.515 3.240 20 0 EGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440273346 458800092 /nfs/dbraw/zinc/80/00/92/458800092.db2.gz XPGIANPFFBEKCW-HXUWFJFHSA-N 2 0 347.547 3.307 20 0 EGADRP C[C@H]([NH2+]CCCCn1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828537 458800665 /nfs/dbraw/zinc/80/06/65/458800665.db2.gz ZHIXZBSVHLNYBO-AZUAARDMSA-N 2 0 326.488 3.164 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000518349113 458860118 /nfs/dbraw/zinc/86/01/18/458860118.db2.gz TVZXXSSSILUNGD-QAPCUYQASA-N 2 0 347.484 3.121 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474462868 458887628 /nfs/dbraw/zinc/88/76/28/458887628.db2.gz VVNDPWNVJGUUEH-IKGGRYGDSA-N 2 0 337.939 3.448 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000474801790 458902022 /nfs/dbraw/zinc/90/20/22/458902022.db2.gz ZIKHHLQQOLURKE-FQBWVUSXSA-N 2 0 338.536 3.454 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223314 458902226 /nfs/dbraw/zinc/90/22/26/458902226.db2.gz GSPVJVLLQKVHDE-XLIONFOSSA-N 2 0 349.478 3.348 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495679778 458918417 /nfs/dbraw/zinc/91/84/17/458918417.db2.gz NKYRENVMFIRMQP-OAHLLOKOSA-N 2 0 347.503 3.093 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576864180 458936656 /nfs/dbraw/zinc/93/66/56/458936656.db2.gz PYDYTHMSFQMBJZ-RXVVDRJESA-N 3 0 329.532 3.219 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000531945283 459005189 /nfs/dbraw/zinc/00/51/89/459005189.db2.gz USQKBSLGPRFXCG-TZMCWYRMSA-N 2 0 328.403 3.117 20 0 EGADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000531956685 459007102 /nfs/dbraw/zinc/00/71/02/459007102.db2.gz UAWJIHTXIMBAKG-RTBURBONSA-N 2 0 344.524 3.387 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000531979780 459011488 /nfs/dbraw/zinc/01/14/88/459011488.db2.gz UXKVNXFBEAQENG-WBVHZDCISA-N 2 0 331.495 3.206 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000566858637 459012691 /nfs/dbraw/zinc/01/26/91/459012691.db2.gz SJEMAOAMNRAOIW-VQTJNVASSA-N 2 0 338.499 3.311 20 0 EGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566985353 459031605 /nfs/dbraw/zinc/03/16/05/459031605.db2.gz GMDNOGNJKVRRLR-ZCNNSNEGSA-N 2 0 329.532 3.319 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000556952934 459036253 /nfs/dbraw/zinc/03/62/53/459036253.db2.gz ZVNQNYVNWPUFEV-BXUZGUMPSA-N 2 0 349.276 3.056 20 0 EGADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000442810579 459041373 /nfs/dbraw/zinc/04/13/73/459041373.db2.gz MRIGONYSZPOZEI-WHZJULEDSA-N 2 0 328.500 3.444 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC000577528448 459047993 /nfs/dbraw/zinc/04/79/93/459047993.db2.gz GTIBVOBMJOUVMT-ZACQAIPSSA-N 2 0 339.886 3.303 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496064307 459053066 /nfs/dbraw/zinc/05/30/66/459053066.db2.gz JVSSUUDFZHOSRZ-IKGGRYGDSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442918943 459059869 /nfs/dbraw/zinc/05/98/69/459059869.db2.gz IKJBYEXECXVPNG-INIZCTEOSA-N 2 0 330.451 3.189 20 0 EGADRP CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1cccs1 ZINC000443057673 459079711 /nfs/dbraw/zinc/07/97/11/459079711.db2.gz HRISJFMVMZFHCF-YOEHRIQHSA-N 2 0 337.533 3.012 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1cc2ccccc2o1 ZINC000443058137 459080061 /nfs/dbraw/zinc/08/00/61/459080061.db2.gz JLDQODDJVWEEOV-JYJNAYRXSA-N 2 0 343.471 3.059 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000590182596 459098921 /nfs/dbraw/zinc/09/89/21/459098921.db2.gz MLSANKQIKLWKQA-QFBILLFUSA-N 2 0 336.520 3.353 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CCOCC1 ZINC000532487693 459098902 /nfs/dbraw/zinc/09/89/02/459098902.db2.gz UTSLDRYKMOBUDH-FQEVSTJZSA-N 2 0 334.504 3.312 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000578064537 459140555 /nfs/dbraw/zinc/14/05/55/459140555.db2.gz JIXQYYABVWKURA-JOCHJYFZSA-N 2 0 338.495 3.207 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000567730136 459156008 /nfs/dbraw/zinc/15/60/08/459156008.db2.gz RCSLJUHCDLZJKU-KSZLIROESA-N 2 0 345.531 3.169 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000532949785 459165202 /nfs/dbraw/zinc/16/52/02/459165202.db2.gz HHVHHKTULXPVCY-UHFFFAOYSA-N 2 0 335.467 3.207 20 0 EGADRP C[N@H+](CCC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000567864893 459180300 /nfs/dbraw/zinc/18/03/00/459180300.db2.gz YAOFPVPDTHUKBP-UHFFFAOYSA-N 2 0 340.496 3.441 20 0 EGADRP C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480133602 459183637 /nfs/dbraw/zinc/18/36/37/459183637.db2.gz FAFFPEFYZNIQED-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590786918 459218607 /nfs/dbraw/zinc/21/86/07/459218607.db2.gz SVPWQRIUZBSLPG-HXUWFJFHSA-N 2 0 348.531 3.095 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590786917 459219925 /nfs/dbraw/zinc/21/99/25/459219925.db2.gz SVPWQRIUZBSLPG-FQEVSTJZSA-N 2 0 348.531 3.095 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000481032676 459230010 /nfs/dbraw/zinc/23/00/10/459230010.db2.gz CRQHYIYOCPGFDG-HLAWJBBLSA-N 2 0 329.532 3.389 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537078 459231367 /nfs/dbraw/zinc/23/13/67/459231367.db2.gz CNTUCDVRRMUPCK-DLBZAZTESA-N 2 0 341.540 3.057 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000559272485 459247866 /nfs/dbraw/zinc/24/78/66/459247866.db2.gz AHDLBUBTBPLYSB-UHFFFAOYSA-N 2 0 327.472 3.477 20 0 EGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000559842558 459279988 /nfs/dbraw/zinc/27/99/88/459279988.db2.gz JZFQKJPWJYDNLL-YPAWHYETSA-N 2 0 338.495 3.324 20 0 EGADRP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000560268642 459317651 /nfs/dbraw/zinc/31/76/51/459317651.db2.gz ZGRFMPFWVWGMHK-QFBILLFUSA-N 2 0 346.515 3.259 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000582199866 459324624 /nfs/dbraw/zinc/32/46/24/459324624.db2.gz GVRDNPPFVNULET-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000497031613 459412124 /nfs/dbraw/zinc/41/21/24/459412124.db2.gz LILHLSJWSYPOFX-IBGZPJMESA-N 2 0 331.504 3.430 20 0 EGADRP CC[N@H+]1C[C@H](N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000484503839 459417547 /nfs/dbraw/zinc/41/75/47/459417547.db2.gz SWPAVZLSWJWZJZ-GCGJSEPQSA-N 2 0 329.532 3.073 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000591717211 459425391 /nfs/dbraw/zinc/42/53/91/459425391.db2.gz UUDIRHSJYTZIER-UHFFFAOYSA-N 2 0 345.462 3.203 20 0 EGADRP Cc1ccccc1[C@@H]1CN(C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331178 459433019 /nfs/dbraw/zinc/43/30/19/459433019.db2.gz KRLDLWPPZMGMJB-PXNSSMCTSA-N 2 0 328.431 3.250 20 0 EGADRP COc1cccc([C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[NH+]2CCCC2)c1 ZINC000569349528 459436599 /nfs/dbraw/zinc/43/65/99/459436599.db2.gz JGQMEROBFGOGLE-ZCNNSNEGSA-N 2 0 331.504 3.082 20 0 EGADRP COc1cccc([C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])[NH+]2CCCC2)c1 ZINC000569349527 459436672 /nfs/dbraw/zinc/43/66/72/459436672.db2.gz JGQMEROBFGOGLE-UFYCRDLUSA-N 2 0 331.504 3.082 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000541348896 459448710 /nfs/dbraw/zinc/44/87/10/459448710.db2.gz JHFWTIWBCOATBW-UYAOXDASSA-N 2 0 347.934 3.428 20 0 EGADRP CC1(C)CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000541544307 459464837 /nfs/dbraw/zinc/46/48/37/459464837.db2.gz QOLGLZSRUNPHTL-RTBURBONSA-N 2 0 343.515 3.052 20 0 EGADRP COC(=O)c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)s1 ZINC000595900587 459481858 /nfs/dbraw/zinc/48/18/58/459481858.db2.gz HJHQOVRGAZEFRM-OAHLLOKOSA-N 2 0 336.501 3.055 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000596095408 459518761 /nfs/dbraw/zinc/51/87/61/459518761.db2.gz QDJDJUAOQMHUPG-YGJVYZRNSA-N 2 0 334.529 3.197 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000497433608 459535967 /nfs/dbraw/zinc/53/59/67/459535967.db2.gz GSQZWMVELABPCD-MJGOQNOKSA-N 2 0 348.535 3.017 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000526055932 459540408 /nfs/dbraw/zinc/54/04/08/459540408.db2.gz MSKLDCHWAYBDSO-YADGQWAMSA-N 2 0 347.934 3.454 20 0 EGADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000572929193 459596376 /nfs/dbraw/zinc/59/63/76/459596376.db2.gz SAYCZRKCMGXJFA-XCDZQEORSA-N 2 0 332.536 3.402 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000583791323 459596799 /nfs/dbraw/zinc/59/67/99/459596799.db2.gz FEIOGYLQPFFXGN-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP Cc1oc2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2c1C ZINC000527132622 459597258 /nfs/dbraw/zinc/59/72/58/459597258.db2.gz FPUBGCXBBFHSGK-UHFFFAOYSA-N 2 0 346.475 3.007 20 0 EGADRP Cc1cnccc1CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000573087095 459624587 /nfs/dbraw/zinc/62/45/87/459624587.db2.gz RQZQDFBGCQZXCZ-UHFFFAOYSA-N 2 0 332.451 3.303 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000500126668 459666122 /nfs/dbraw/zinc/66/61/22/459666122.db2.gz UHTHBCRNGGBWCZ-KRWDZBQOSA-N 2 0 328.566 3.485 20 0 EGADRP COc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000527672232 459694230 /nfs/dbraw/zinc/69/42/30/459694230.db2.gz FDFKSAXAHDWOQV-ZBEGNZNMSA-N 2 0 328.378 3.286 20 0 EGADRP c1ccc(COc2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)nc1 ZINC000596639266 459709266 /nfs/dbraw/zinc/70/92/66/459709266.db2.gz PYAWNVOMTQDVEW-QUCCMNQESA-N 2 0 337.467 3.377 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000573727700 459724940 /nfs/dbraw/zinc/72/49/40/459724940.db2.gz RLVJFGQRAPWCPB-SJORKVTESA-N 2 0 339.483 3.174 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784201 459743624 /nfs/dbraw/zinc/74/36/24/459743624.db2.gz CXESEBBYKSSNAG-OALUTQOASA-N 2 0 336.907 3.194 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527858886 459760661 /nfs/dbraw/zinc/76/06/61/459760661.db2.gz MLTRXMMWPXZOKY-FFZOFVMBSA-N 2 0 328.500 3.210 20 0 EGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000574071356 459775885 /nfs/dbraw/zinc/77/58/85/459775885.db2.gz FICZVVKMTVGZHC-PMACEKPBSA-N 2 0 348.531 3.287 20 0 EGADRP Cc1cc(CN2CC[C@@H]([NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017200 459793699 /nfs/dbraw/zinc/79/36/99/459793699.db2.gz ACJOVFGYGQTISW-CZUORRHYSA-N 2 0 330.863 3.417 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000584782880 459801730 /nfs/dbraw/zinc/80/17/30/459801730.db2.gz VBSZHOSRZKGJLW-YPAWHYETSA-N 2 0 335.495 3.146 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000566087710 459803599 /nfs/dbraw/zinc/80/35/99/459803599.db2.gz DRLUKPLAWYXWTH-ZDUSSCGKSA-N 2 0 345.409 3.400 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000566115152 459808781 /nfs/dbraw/zinc/80/87/81/459808781.db2.gz BMTRQWVBUBHVBJ-XLIONFOSSA-N 2 0 342.483 3.023 20 0 EGADRP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000597238825 459889998 /nfs/dbraw/zinc/88/99/98/459889998.db2.gz JLOQLGPVQQLPCA-ICSRJNTNSA-N 2 0 336.520 3.495 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000574922008 459895065 /nfs/dbraw/zinc/89/50/65/459895065.db2.gz ZQBQORPEGGNUHT-INIZCTEOSA-N 2 0 339.483 3.078 20 0 EGADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000621502487 459934405 /nfs/dbraw/zinc/93/44/05/459934405.db2.gz XFAPQPIXTNRFMZ-VQIMIIECSA-N 2 0 331.504 3.051 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000575172868 459941563 /nfs/dbraw/zinc/94/15/63/459941563.db2.gz OABVTHKDVQGDSU-ZAAXVRCTSA-N 2 0 340.471 3.371 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000576268601 460104920 /nfs/dbraw/zinc/10/49/20/460104920.db2.gz NLRMTMOMAKISRX-KSSFIOAISA-N 2 0 334.410 3.379 20 0 EGADRP CC(C)c1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc(C(C)C)n1 ZINC000576359402 460126455 /nfs/dbraw/zinc/12/64/55/460126455.db2.gz ICSDCCPJBVZOGD-KRWDZBQOSA-N 2 0 346.519 3.415 20 0 EGADRP COC(=O)CC1CCC([NH2+]CCCN2CCc3ccccc3C2)CC1 ZINC000599019454 460128472 /nfs/dbraw/zinc/12/84/72/460128472.db2.gz KZQBKDRSIIQPMH-UHFFFAOYSA-N 2 0 344.499 3.146 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599071663 460151398 /nfs/dbraw/zinc/15/13/98/460151398.db2.gz SBGWTPDHROINOT-HZPDHXFCSA-N 2 0 348.487 3.464 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599311620 460226572 /nfs/dbraw/zinc/22/65/72/460226572.db2.gz ZFLRWTMUBGWTCF-YLJYHZDGSA-N 2 0 343.515 3.019 20 0 EGADRP COC(=O)CCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000599426242 460250114 /nfs/dbraw/zinc/25/01/14/460250114.db2.gz AAMQXENSJZIAKX-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP FC(F)(F)c1cccc(OCCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000615456654 460331494 /nfs/dbraw/zinc/33/14/94/460331494.db2.gz OQRNHRUAJHDDPZ-ZIAGYGMSSA-N 2 0 328.378 3.016 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000631575856 460452363 /nfs/dbraw/zinc/45/23/63/460452363.db2.gz HQXOYLFTFVXWIP-FQEVSTJZSA-N 2 0 340.467 3.413 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631591647 460461672 /nfs/dbraw/zinc/46/16/72/460461672.db2.gz XAHHZTYAMGVISI-KRWDZBQOSA-N 2 0 343.515 3.314 20 0 EGADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H](O)C(F)(F)F ZINC000631716191 460528587 /nfs/dbraw/zinc/52/85/87/460528587.db2.gz JQFPPZXBBVHZAG-MFNRNEDNSA-N 2 0 344.421 3.331 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1c(Cl)cccc1Cl ZINC000629558123 460807901 /nfs/dbraw/zinc/80/79/01/460807901.db2.gz AVHFBNLPQQDZNC-STQMWFEESA-N 2 0 331.287 3.143 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629655888 460851318 /nfs/dbraw/zinc/85/13/18/460851318.db2.gz LPQIWJDSARCFDM-XNRPHZJLSA-N 2 0 330.394 3.258 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624119396 460868719 /nfs/dbraw/zinc/86/87/19/460868719.db2.gz ANRSXOUCIQZGGH-HUUCEWRRSA-N 2 0 337.895 3.379 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121562 460870372 /nfs/dbraw/zinc/87/03/72/460870372.db2.gz YBLGAUAHTXZHSH-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP c1cc(-c2cccc(C3=CC[NH2+]CC3)c2)sc1CN1CC[NH2+]CC1 ZINC000629723868 460889731 /nfs/dbraw/zinc/88/97/31/460889731.db2.gz SPIILNQHQMXOLJ-UHFFFAOYSA-N 2 0 339.508 3.197 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)[C@H](C)C1 ZINC000607957038 460947603 /nfs/dbraw/zinc/94/76/03/460947603.db2.gz TWAUDHQIYGASHZ-DYESRHJHSA-N 2 0 339.483 3.481 20 0 EGADRP CN(C)c1c(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc(F)c1F ZINC000628152593 461020380 /nfs/dbraw/zinc/02/03/80/461020380.db2.gz HMJGXNOFABMYGY-UHFFFAOYSA-N 2 0 325.447 3.195 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628170076 461030922 /nfs/dbraw/zinc/03/09/22/461030922.db2.gz PTBLZSIAWUFRNZ-UHFFFAOYSA-N 2 0 344.421 3.291 20 0 EGADRP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000633372014 461061664 /nfs/dbraw/zinc/06/16/64/461061664.db2.gz GYAMRGYLVSMXRV-LJQANCHMSA-N 2 0 347.503 3.206 20 0 EGADRP Cc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ncc1Br ZINC000628281430 461071903 /nfs/dbraw/zinc/07/19/03/461071903.db2.gz YWBOFJMABCSXEO-CJNGLKHVSA-N 2 0 338.293 3.069 20 0 EGADRP C[NH2+]C[C@@H](C)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000658982206 461125696 /nfs/dbraw/zinc/12/56/96/461125696.db2.gz LADLWTKZILVOQF-OAHLLOKOSA-N 2 0 332.492 3.181 20 0 EGADRP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000652349370 461141794 /nfs/dbraw/zinc/14/17/94/461141794.db2.gz MDPCIFWWPKFVMG-ZNMIVQPWSA-N 2 0 337.533 3.159 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c2ccccc2n1 ZINC000652349587 461144162 /nfs/dbraw/zinc/14/41/62/461144162.db2.gz UNUJPRBJOCETFV-YRISNDGFSA-N 2 0 339.483 3.262 20 0 EGADRP C[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CC[NH3+] ZINC000652354740 461149601 /nfs/dbraw/zinc/14/96/01/461149601.db2.gz GWSJHSTXZFMCFI-XJKSGUPXSA-N 2 0 348.878 3.382 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)CC1 ZINC000668169672 461153303 /nfs/dbraw/zinc/15/33/03/461153303.db2.gz XDFJJZUZDZNLOM-TZIWHRDSSA-N 2 0 344.499 3.018 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362751 461155447 /nfs/dbraw/zinc/15/54/47/461155447.db2.gz OCSJUWRBTFXXAB-PVAVHDDUSA-N 2 0 347.484 3.264 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000652359509 461155918 /nfs/dbraw/zinc/15/59/18/461155918.db2.gz LUZIXIPGTVNCCW-UHFFFAOYSA-N 2 0 342.462 3.061 20 0 EGADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c2ccccc2n1 ZINC000652363063 461157459 /nfs/dbraw/zinc/15/74/59/461157459.db2.gz XDKBLYFLGGZLEX-IOMROCGXSA-N 2 0 339.483 3.404 20 0 EGADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c2ccccc2n1 ZINC000652363062 461157693 /nfs/dbraw/zinc/15/76/93/461157693.db2.gz XDKBLYFLGGZLEX-DUXKGJEZSA-N 2 0 339.483 3.404 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000662281650 461162648 /nfs/dbraw/zinc/16/26/48/461162648.db2.gz KTRCSFCVAHLFFS-YJBOKZPZSA-N 2 0 338.879 3.067 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000662282164 461166494 /nfs/dbraw/zinc/16/64/94/461166494.db2.gz SVKTZIHWVIZBCL-NVXWUHKLSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000662294650 461173118 /nfs/dbraw/zinc/17/31/18/461173118.db2.gz DIJKBLQKZKPHQO-DOTOQJQBSA-N 2 0 347.478 3.173 20 0 EGADRP Clc1ccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000662299027 461177206 /nfs/dbraw/zinc/17/72/06/461177206.db2.gz JAHDDOYBSDDSHS-ZDUSSCGKSA-N 2 0 328.287 3.115 20 0 EGADRP CC(C)[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000646300295 461178573 /nfs/dbraw/zinc/17/85/73/461178573.db2.gz RPNQQOVPDHVBIR-OAQYLSRUSA-N 2 0 346.515 3.408 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662455254 461250132 /nfs/dbraw/zinc/25/01/32/461250132.db2.gz WGOIEJWVJJAYKR-CQSZACIVSA-N 2 0 349.544 3.024 20 0 EGADRP [NH3+]C1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC2(CCC2)C1 ZINC000659284124 461274774 /nfs/dbraw/zinc/27/47/74/461274774.db2.gz FYPSSCWAHJFFJB-UHFFFAOYSA-N 2 0 341.499 3.315 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)c2cccs2)CC1 ZINC000662664005 461339491 /nfs/dbraw/zinc/33/94/91/461339491.db2.gz SAZBSHYRAXXJQP-NVXWUHKLSA-N 2 0 349.544 3.025 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)c2cccs2)CC1 ZINC000662664006 461340016 /nfs/dbraw/zinc/34/00/16/461340016.db2.gz SAZBSHYRAXXJQP-RDJZCZTQSA-N 2 0 349.544 3.025 20 0 EGADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638292059 461351267 /nfs/dbraw/zinc/35/12/67/461351267.db2.gz UESMVWCHWJKXOD-FPOVZHCZSA-N 2 0 327.516 3.428 20 0 EGADRP CC(C)C[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000659469087 461359538 /nfs/dbraw/zinc/35/95/38/461359538.db2.gz KFXSITYXTFBTQZ-FUHWJXTLSA-N 2 0 348.535 3.131 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000633965742 461360304 /nfs/dbraw/zinc/36/03/04/461360304.db2.gz RZOUVGBWLUBIQE-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000638313138 461360440 /nfs/dbraw/zinc/36/04/40/461360440.db2.gz PUYPWFQKNXOGBE-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP CC[N@H+](CCCNC(=O)c1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000662828295 461386675 /nfs/dbraw/zinc/38/66/75/461386675.db2.gz HGXCXYHTKOEKJL-UHFFFAOYSA-N 2 0 343.515 3.107 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nsc3ccccc32)C1 ZINC000641818384 461388472 /nfs/dbraw/zinc/38/84/72/461388472.db2.gz DBNIOLOLFBOTPU-KBRIMQKVSA-N 2 0 331.485 3.157 20 0 EGADRP Cc1nnsc1CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000638366427 461390385 /nfs/dbraw/zinc/39/03/85/461390385.db2.gz JBHCOJDRMBXWNQ-AWEZNQCLSA-N 2 0 330.501 3.368 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000655730771 461399254 /nfs/dbraw/zinc/39/92/54/461399254.db2.gz SYNLFVPYTICBDV-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP C[N@H+](Cc1ccccc1C[NH2+][C@@H]1CCCNC(=O)C1)C1CCCCC1 ZINC000638402359 461409012 /nfs/dbraw/zinc/40/90/12/461409012.db2.gz NWWCSEKVUDAAOU-LJQANCHMSA-N 2 0 343.515 3.209 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655752583 461418557 /nfs/dbraw/zinc/41/85/57/461418557.db2.gz RARWUUNQZAVXRB-IBGZPJMESA-N 2 0 331.504 3.112 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCOC1 ZINC000638444992 461429918 /nfs/dbraw/zinc/42/99/18/461429918.db2.gz HDYUZLUAFIYBQJ-NHCUHLMSSA-N 2 0 346.515 3.204 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000655766945 461433065 /nfs/dbraw/zinc/43/30/65/461433065.db2.gz OEPRXCHOYKJYLG-UHFFFAOYSA-N 2 0 342.462 3.284 20 0 EGADRP CC[N@H+](CCN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638479451 461447637 /nfs/dbraw/zinc/44/76/37/461447637.db2.gz MYWWEFKMCCMYJZ-GHTZIAJQSA-N 2 0 327.516 3.428 20 0 EGADRP [NH3+]Cc1cccc2c1N(C(=O)c1ccc3c(c1)[C@H](C[NH3+])CCC3)CCC2 ZINC000638543130 461474946 /nfs/dbraw/zinc/47/49/46/461474946.db2.gz RBFXZBJWDWETRW-SFHVURJKSA-N 2 0 349.478 3.117 20 0 EGADRP CC[C@](C)(C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)OC ZINC000638566870 461489922 /nfs/dbraw/zinc/48/99/22/461489922.db2.gz GDUMQVBXOUWANT-DNVCBOLYSA-N 2 0 337.483 3.043 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccncc2Br)C1 ZINC000631042120 461492929 /nfs/dbraw/zinc/49/29/29/461492929.db2.gz GJZIJEAXRPLWCD-AWEZNQCLSA-N 2 0 340.309 3.446 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848630 461495894 /nfs/dbraw/zinc/49/58/94/461495894.db2.gz JDMOQZGGINDXDJ-WMQCIHAUSA-N 2 0 345.531 3.295 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000638609235 461503587 /nfs/dbraw/zinc/50/35/87/461503587.db2.gz IZZCFDCRDCNJAY-SFTDATJTSA-N 2 0 346.515 3.204 20 0 EGADRP COc1cc(Cl)c(C[NH2+]CCC2CC[NH+](C)CC2)cc1OC ZINC000631064708 461517968 /nfs/dbraw/zinc/51/79/68/461517968.db2.gz MWZAIKHQTAVDET-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C[N@@H+]1Cc1ccccc1 ZINC000631099164 461548477 /nfs/dbraw/zinc/54/84/77/461548477.db2.gz GEKFRAYEWAZBRB-FUHWJXTLSA-N 2 0 325.456 3.178 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000653194410 461549955 /nfs/dbraw/zinc/54/99/55/461549955.db2.gz HATYSWDDKOUEOT-FPOVZHCZSA-N 2 0 343.515 3.120 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H]([NH3+])c1ccccc1C)C1CCCCC1 ZINC000653201078 461556728 /nfs/dbraw/zinc/55/67/28/461556728.db2.gz ZHSQITDRGXENDU-LJQANCHMSA-N 2 0 331.504 3.156 20 0 EGADRP COc1cc(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663345910 461573818 /nfs/dbraw/zinc/57/38/18/461573818.db2.gz OMAHELNOZDQFNR-QGZVFWFLSA-N 2 0 332.488 3.224 20 0 EGADRP O=C(CC[NH2+]CC1CC[NH+](CC2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000663374596 461600592 /nfs/dbraw/zinc/60/05/92/461600592.db2.gz LKXSMPGXWIIFII-UHFFFAOYSA-N 2 0 349.906 3.380 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000656201351 461646338 /nfs/dbraw/zinc/64/63/38/461646338.db2.gz WHCQBUAZJGUHKN-NORZTCDRSA-N 2 0 331.287 3.268 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663465349 461653619 /nfs/dbraw/zinc/65/36/19/461653619.db2.gz JIMCCEGDLQICAB-DZGCQCFKSA-N 2 0 329.444 3.306 20 0 EGADRP c1nc([C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)n[nH]1 ZINC000663466721 461654375 /nfs/dbraw/zinc/65/43/75/461654375.db2.gz XHGJHOWFXMPHAY-AEFFLSMTSA-N 2 0 331.508 3.138 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663472194 461661164 /nfs/dbraw/zinc/66/11/64/461661164.db2.gz ZKJLNARUFNQDGR-MJGOQNOKSA-N 2 0 346.515 3.484 20 0 EGADRP CCC1([NH+](C)C)CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000638979608 461666595 /nfs/dbraw/zinc/66/65/95/461666595.db2.gz GMWZJZYEALDKEW-GOSISDBHSA-N 2 0 343.515 3.012 20 0 EGADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483736 461698478 /nfs/dbraw/zinc/69/84/78/461698478.db2.gz KMHQDKRUTIUUMG-GOSISDBHSA-N 2 0 346.519 3.030 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@H+](C)C[C@@H]1CCc3nccn3C1)CC2 ZINC000639076643 461709224 /nfs/dbraw/zinc/70/92/24/461709224.db2.gz GWVBPRZLCPJDLT-WMLDXEAASA-N 2 0 341.455 3.082 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075459 461710060 /nfs/dbraw/zinc/71/00/60/461710060.db2.gz JPYAVUXRNNQXTI-BVPXEZJJSA-N 2 0 328.500 3.495 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000643455381 461732950 /nfs/dbraw/zinc/73/29/50/461732950.db2.gz AXCXPYMVUJNMOR-BCLQGDPASA-N 2 0 341.421 3.391 20 0 EGADRP COc1cccc(OC)c1C[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000639111159 461735205 /nfs/dbraw/zinc/73/52/05/461735205.db2.gz URTWOFGHFQJJFD-UHFFFAOYSA-N 2 0 342.439 3.451 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1[NH3+] ZINC000647497795 461736043 /nfs/dbraw/zinc/73/60/43/461736043.db2.gz VYEOYZKZTYYJGK-QUCCMNQESA-N 2 0 325.456 3.220 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@@H]2CCCOC2)cc1 ZINC000656406074 461736064 /nfs/dbraw/zinc/73/60/64/461736064.db2.gz LTPUKYYTSOGRNO-ZPAWYTMASA-N 2 0 326.484 3.008 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000647541414 461754453 /nfs/dbraw/zinc/75/44/53/461754453.db2.gz YGMZOGDLNYXGDB-UHFFFAOYSA-N 2 0 342.487 3.426 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000647541377 461755217 /nfs/dbraw/zinc/75/52/17/461755217.db2.gz CWDCYUITYZOPHU-UHFFFAOYSA-N 2 0 330.476 3.330 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OCC(F)(F)F)cc1 ZINC000643535896 461756574 /nfs/dbraw/zinc/75/65/74/461756574.db2.gz PTJWANRSPJMMLG-IUODEOHRSA-N 2 0 328.378 3.420 20 0 EGADRP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542968 461756806 /nfs/dbraw/zinc/75/68/06/461756806.db2.gz FKWOCUBEIOVNNG-SJORKVTESA-N 2 0 342.462 3.223 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543154 461757003 /nfs/dbraw/zinc/75/70/03/461757003.db2.gz IHKCTVWXYUQWDN-IAGOWNOFSA-N 2 0 325.456 3.152 20 0 EGADRP Cc1cc([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2cccnc2)ccc1F ZINC000643536483 461757344 /nfs/dbraw/zinc/75/73/44/461757344.db2.gz UBHWCNBXKDHCJU-RTBURBONSA-N 2 0 325.431 3.350 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543367 461757395 /nfs/dbraw/zinc/75/73/95/461757395.db2.gz LWIOYUUOJZUVKD-RTWAWAEBSA-N 2 0 338.499 3.143 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643547859 461761583 /nfs/dbraw/zinc/76/15/83/461761583.db2.gz JWGFNQRAHHKTIQ-PBHICJAKSA-N 2 0 329.444 3.495 20 0 EGADRP c1sc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1-c1ccncc1 ZINC000647550527 461762725 /nfs/dbraw/zinc/76/27/25/461762725.db2.gz WJEHVCCRBOPMAD-BRWVUGGUSA-N 2 0 342.512 3.115 20 0 EGADRP Clc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000647549055 461763239 /nfs/dbraw/zinc/76/32/39/461763239.db2.gz GXUJVCRYYPYKTN-GVDBMIGSSA-N 2 0 348.918 3.366 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC000639162369 461774622 /nfs/dbraw/zinc/77/46/22/461774622.db2.gz NVAUOHXEDDAFPM-IXEWLPCDSA-N 2 0 330.472 3.248 20 0 EGADRP Cc1nc2ccccc2n1C[C@H]1CCCN1c1cc(CO)cc(C)n1 ZINC000663747270 461786490 /nfs/dbraw/zinc/78/64/90/461786490.db2.gz UEHGREDTIBORGG-QGZVFWFLSA-N 2 0 336.439 3.209 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000669848470 461814584 /nfs/dbraw/zinc/81/45/84/461814584.db2.gz KPYLSOPTSDIFIA-TYPHKJRUSA-N 2 0 328.500 3.482 20 0 EGADRP CC[C@@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)C(=O)NC ZINC000639241135 461821365 /nfs/dbraw/zinc/82/13/65/461821365.db2.gz HWBBTWOHQIHYGO-WIYYLYMNSA-N 2 0 345.531 3.039 20 0 EGADRP CC(C)c1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828253 461826485 /nfs/dbraw/zinc/82/64/85/461826485.db2.gz JYUCQJQFTOACDD-KRWDZBQOSA-N 2 0 344.499 3.040 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647784335 461833020 /nfs/dbraw/zinc/83/30/20/461833020.db2.gz RABQCTHPBKHUTM-RRFJBIMHSA-N 2 0 338.879 3.225 20 0 EGADRP Clc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCOCC2)cc1 ZINC000647792301 461836667 /nfs/dbraw/zinc/83/66/67/461836667.db2.gz YVLDJIUMNKMNMD-GPMSIDNRSA-N 2 0 348.918 3.366 20 0 EGADRP FC(F)(F)c1ccccc1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647791755 461836962 /nfs/dbraw/zinc/83/69/62/461836962.db2.gz MKKGYKGOGIRQFF-HZSPNIEDSA-N 2 0 328.378 3.062 20 0 EGADRP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000647791717 461837371 /nfs/dbraw/zinc/83/73/71/461837371.db2.gz KZSJOBVNDRRAAG-GRDNDAEWSA-N 2 0 335.879 3.036 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000639275522 461837605 /nfs/dbraw/zinc/83/76/05/461837605.db2.gz LQBGJDUVLOTHDD-CZUORRHYSA-N 2 0 340.870 3.160 20 0 EGADRP Brc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c2ncccc12 ZINC000666856639 461838583 /nfs/dbraw/zinc/83/85/83/461838583.db2.gz VSCWVRFGICBHPF-CYBMUJFWSA-N 2 0 334.261 3.229 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000643972925 461849926 /nfs/dbraw/zinc/84/99/26/461849926.db2.gz CBQBRDWKMDQRHG-FQEVSTJZSA-N 2 0 343.515 3.062 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000663882566 461854335 /nfs/dbraw/zinc/85/43/35/461854335.db2.gz KXBRPXCGMKQNIX-UWJYYQICSA-N 2 0 343.515 3.019 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000663884759 461854344 /nfs/dbraw/zinc/85/43/44/461854344.db2.gz ZSWWLBGEEMZMLN-UWJYYQICSA-N 2 0 343.515 3.019 20 0 EGADRP OC1CC[NH+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)CC1 ZINC000647866924 461864065 /nfs/dbraw/zinc/86/40/65/461864065.db2.gz QXTZWFTZFOWUNA-UHFFFAOYSA-N 2 0 336.439 3.132 20 0 EGADRP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878160 461867173 /nfs/dbraw/zinc/86/71/73/461867173.db2.gz RJHVOCSQIDVAED-AWEZNQCLSA-N 2 0 341.484 3.286 20 0 EGADRP Clc1ccc(O[C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647891537 461872238 /nfs/dbraw/zinc/87/22/38/461872238.db2.gz NIUZHZYREOAFSB-JSGCOSHPSA-N 2 0 329.271 3.446 20 0 EGADRP Clc1cc(Br)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952304 461885614 /nfs/dbraw/zinc/88/56/14/461885614.db2.gz PTZRMEMAHGTGTF-CYBMUJFWSA-N 2 0 329.669 3.334 20 0 EGADRP CC[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CC[C@H]1[NH3+] ZINC000647934605 461892386 /nfs/dbraw/zinc/89/23/86/461892386.db2.gz KFSDNIAZJNVVFW-IAQYHMDHSA-N 2 0 345.256 3.026 20 0 EGADRP Clc1ccc2ncc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2c1 ZINC000656783936 461893596 /nfs/dbraw/zinc/89/35/96/461893596.db2.gz BJSCIHUNALFPHF-OAHLLOKOSA-N 2 0 332.879 3.199 20 0 EGADRP CN(c1ccccc1C[NH2+]Cc1cccc(N)c1)C1CC[NH+](C)CC1 ZINC000656786937 461898353 /nfs/dbraw/zinc/89/83/53/461898353.db2.gz DRIIVUSSXYWVHG-UHFFFAOYSA-N 2 0 338.499 3.089 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000656787503 461898570 /nfs/dbraw/zinc/89/85/70/461898570.db2.gz ZQERCEAGALZXGL-KRWDZBQOSA-N 2 0 342.487 3.200 20 0 EGADRP COc1ccc2oc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cc2c1 ZINC000650707261 461899300 /nfs/dbraw/zinc/89/93/00/461899300.db2.gz BXMRHCPCIFDJKZ-DKICVRJWSA-N 2 0 344.455 3.160 20 0 EGADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650707047 461899968 /nfs/dbraw/zinc/89/99/68/461899968.db2.gz XLEBBZADGQOPBR-SQWLQELKSA-N 2 0 337.533 3.159 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000650707606 461901091 /nfs/dbraw/zinc/90/10/91/461901091.db2.gz JGAFJUVIEZGDFX-MGQJPEQZSA-N 2 0 336.426 3.196 20 0 EGADRP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708190 461902423 /nfs/dbraw/zinc/90/24/23/461902423.db2.gz VBBHOGWDDTWZGT-RRFJBIMHSA-N 2 0 337.533 3.159 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000666995132 461902557 /nfs/dbraw/zinc/90/25/57/461902557.db2.gz DQHVRSWCKMOHAD-YZGWKJHDSA-N 2 0 327.516 3.304 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OCC(C)C ZINC000650708962 461902835 /nfs/dbraw/zinc/90/28/35/461902835.db2.gz WUQFWCOORLXCTJ-PXNSSMCTSA-N 2 0 332.488 3.291 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(SC)cc1OC ZINC000650711031 461904795 /nfs/dbraw/zinc/90/47/95/461904795.db2.gz GQYBNENENNOTAR-DZGCQCFKSA-N 2 0 338.517 3.375 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc2)n1 ZINC000660657194 461907897 /nfs/dbraw/zinc/90/78/97/461907897.db2.gz OLVRCUSLIKQBGO-NRFANRHFSA-N 2 0 338.499 3.407 20 0 EGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717731 461909071 /nfs/dbraw/zinc/90/90/71/461909071.db2.gz KPTMXLHCHHANLW-CQSZACIVSA-N 2 0 329.419 3.100 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717610 461910083 /nfs/dbraw/zinc/91/00/83/461910083.db2.gz HEUHHGCCDDJFAH-BEFAXECRSA-N 2 0 327.447 3.210 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)c(F)c1 ZINC000650718858 461911392 /nfs/dbraw/zinc/91/13/92/461911392.db2.gz YDXFSBKKMXDSIK-LJQANCHMSA-N 2 0 344.430 3.132 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650721987 461913170 /nfs/dbraw/zinc/91/31/70/461913170.db2.gz HYKNLEZOXMTYOE-SXLOBPIMSA-N 2 0 332.488 3.335 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000650721994 461915010 /nfs/dbraw/zinc/91/50/10/461915010.db2.gz HZPONRVUERFBEY-CEXWTWQISA-N 2 0 325.456 3.096 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975212 461916383 /nfs/dbraw/zinc/91/63/83/461916383.db2.gz QIXMOMISUZKFOR-ROUUACIJSA-N 2 0 343.515 3.460 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000650723943 461916413 /nfs/dbraw/zinc/91/64/13/461916413.db2.gz WDDFGUIFBYPSHS-AABGKKOBSA-N 2 0 325.456 3.096 20 0 EGADRP c1ccc(CCOCCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978270 461920851 /nfs/dbraw/zinc/92/08/51/461920851.db2.gz PDUYKVLTKQZJMO-RTWAWAEBSA-N 2 0 330.516 3.347 20 0 EGADRP COc1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CCCCC2)cc1OC ZINC000647991289 461926590 /nfs/dbraw/zinc/92/65/90/461926590.db2.gz WGSDZIVYGONRGJ-KRWDZBQOSA-N 2 0 332.488 3.448 20 0 EGADRP Cn1ccc([C@@H]([NH2+]CCC2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000650762543 461940242 /nfs/dbraw/zinc/94/02/42/461940242.db2.gz DLPPFSYMDXUPSN-SFHVURJKSA-N 2 0 332.879 3.142 20 0 EGADRP O=C(Nc1cccc(Oc2ccncc2)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000667099623 461949279 /nfs/dbraw/zinc/94/92/79/461949279.db2.gz JAMXCVDTCQYQBE-CQSZACIVSA-N 2 0 326.400 3.138 20 0 EGADRP CC(C)O[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000648047715 461956543 /nfs/dbraw/zinc/95/65/43/461956543.db2.gz ZUTYWWCZFKVBTP-HXUWFJFHSA-N 2 0 345.531 3.216 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000657315332 462039535 /nfs/dbraw/zinc/03/95/35/462039535.db2.gz QSMGXWYTUKGVIZ-UHFFFAOYSA-N 2 0 326.488 3.429 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000657317514 462041557 /nfs/dbraw/zinc/04/15/57/462041557.db2.gz YKLFVQYOVYVUIX-MSOLQXFVSA-N 2 0 334.504 3.312 20 0 EGADRP c1nc2n(c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CCC2 ZINC000657358302 462068596 /nfs/dbraw/zinc/06/85/96/462068596.db2.gz JSAAXQHIWRWUPP-UHFFFAOYSA-N 2 0 338.499 3.495 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639724739 462076722 /nfs/dbraw/zinc/07/67/22/462076722.db2.gz DJELBTXYWRRGOZ-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP CC[C@H](C)[N@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661110458 462107104 /nfs/dbraw/zinc/10/71/04/462107104.db2.gz YKVQFETUIVAHLZ-KRWDZBQOSA-N 2 0 331.504 3.019 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000648576238 462184997 /nfs/dbraw/zinc/18/49/97/462184997.db2.gz ZRKJBECAPGPFSF-ROUUACIJSA-N 2 0 332.488 3.207 20 0 EGADRP c1cn2c(n1)[C@@H](N[C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000648629216 462206738 /nfs/dbraw/zinc/20/67/38/462206738.db2.gz VARITUOJCOFWKU-MUGJNUQGSA-N 2 0 336.483 3.218 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000667817612 462277079 /nfs/dbraw/zinc/27/70/79/462277079.db2.gz ZHECKQHKKVXNSU-UHFFFAOYSA-N 2 0 344.503 3.265 20 0 EGADRP c1cn2c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c(C3CC3)nc2s1 ZINC000657813229 462279508 /nfs/dbraw/zinc/27/95/08/462279508.db2.gz LAUPXQBHNITABD-UHFFFAOYSA-N 2 0 344.528 3.485 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812914 462279557 /nfs/dbraw/zinc/27/95/57/462279557.db2.gz WTVYZLKKBYENGD-UHFFFAOYSA-N 2 0 338.499 3.392 20 0 EGADRP COc1cc(F)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000657813808 462279787 /nfs/dbraw/zinc/27/97/87/462279787.db2.gz AAHZWRQVSBJESH-UHFFFAOYSA-N 2 0 336.451 3.055 20 0 EGADRP Clc1ccc2ncc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)n2c1 ZINC000657812441 462279850 /nfs/dbraw/zinc/27/98/50/462279850.db2.gz BYQOTXCJIBMDQE-UHFFFAOYSA-N 2 0 332.879 3.199 20 0 EGADRP CO[C@H]([C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000648796994 462281448 /nfs/dbraw/zinc/28/14/48/462281448.db2.gz AEBVQQVJDOUNKI-OXQOHEQNSA-N 2 0 332.488 3.064 20 0 EGADRP COc1cc(OC)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1F ZINC000657814675 462281787 /nfs/dbraw/zinc/28/17/87/462281787.db2.gz KFMKZYAGKZGTBA-UHFFFAOYSA-N 2 0 336.451 3.055 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000667854264 462295922 /nfs/dbraw/zinc/29/59/22/462295922.db2.gz GIPIULZYTLQKSA-QFBILLFUSA-N 2 0 344.503 3.312 20 0 EGADRP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000651699091 462307309 /nfs/dbraw/zinc/30/73/09/462307309.db2.gz GRHVQMROOHEELB-VQIMIIECSA-N 2 0 331.504 3.036 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645385266 462308162 /nfs/dbraw/zinc/30/81/62/462308162.db2.gz UOPUAUNLXLJNLO-UHFFFAOYSA-N 2 0 339.483 3.407 20 0 EGADRP CN1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385446 462308343 /nfs/dbraw/zinc/30/83/43/462308343.db2.gz KLBXIWHYLRUYFS-GOTSBHOMSA-N 2 0 349.522 3.470 20 0 EGADRP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000651758878 462326628 /nfs/dbraw/zinc/32/66/28/462326628.db2.gz QXLGYCIXBUNKPE-UXHICEINSA-N 2 0 348.531 3.184 20 0 EGADRP COc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c(Cl)c1OC ZINC000645480966 462342921 /nfs/dbraw/zinc/34/29/21/462342921.db2.gz RDNLBEWXCRAIPB-CYBMUJFWSA-N 2 0 340.895 3.220 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCC1 ZINC000658007416 462345650 /nfs/dbraw/zinc/34/56/50/462345650.db2.gz RGVKLUIDIVVKGN-MRXNPFEDSA-N 2 0 332.488 3.207 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000658165271 462414593 /nfs/dbraw/zinc/41/45/93/462414593.db2.gz HQNVYMUCPCZKOC-OAHLLOKOSA-N 2 0 328.435 3.179 20 0 EGADRP COc1ccc(-c2cc(C[NH2+][C@H](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000658185388 462423500 /nfs/dbraw/zinc/42/35/00/462423500.db2.gz CKJNAOFVNOYYIK-CQSZACIVSA-N 2 0 329.444 3.170 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc2NC1=O ZINC000640534662 462432987 /nfs/dbraw/zinc/43/29/87/462432987.db2.gz RGFMMMHLOIIWIC-LJQANCHMSA-N 2 0 329.488 3.138 20 0 EGADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140370 462447308 /nfs/dbraw/zinc/44/73/08/462447308.db2.gz MIUVXGUXMPPQQB-ULQDDVLXSA-N 2 0 348.487 3.380 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)C1 ZINC000658305348 462468376 /nfs/dbraw/zinc/46/83/76/462468376.db2.gz ZHLVCFNAVVZZET-AOIWGVFYSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000658353525 462487579 /nfs/dbraw/zinc/48/75/79/462487579.db2.gz NZNJLTLRASRZGU-CYBMUJFWSA-N 2 0 329.444 3.306 20 0 EGADRP COC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC000658357660 462489178 /nfs/dbraw/zinc/48/91/78/462489178.db2.gz VDPKEFFVOYXLBS-LJQANCHMSA-N 2 0 338.442 3.364 20 0 EGADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000658358571 462489525 /nfs/dbraw/zinc/48/95/25/462489525.db2.gz WLKOPSMZSGJZDJ-OAHLLOKOSA-N 2 0 332.488 3.476 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000180848415 533947051 /nfs/dbraw/zinc/94/70/51/533947051.db2.gz HXARJNOFLKFRSR-GDBMZVCRSA-N 2 0 330.501 3.210 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OCC ZINC000154902481 528425091 /nfs/dbraw/zinc/42/50/91/528425091.db2.gz UOWJMUMEBSNYNE-XYJFISCASA-N 2 0 334.504 3.345 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000178694695 528720027 /nfs/dbraw/zinc/72/00/27/528720027.db2.gz WVBFITWWJBEJGA-RTBURBONSA-N 2 0 347.547 3.400 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000191605187 529042675 /nfs/dbraw/zinc/04/26/75/529042675.db2.gz DOVXRSCUPXMTLP-HNNXBMFYSA-N 2 0 325.447 3.032 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000154523171 529143544 /nfs/dbraw/zinc/14/35/44/529143544.db2.gz ZRNHZUPERXKFKH-INIZCTEOSA-N 2 0 346.544 3.365 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000263641716 535601161 /nfs/dbraw/zinc/60/11/61/535601161.db2.gz AQDXJUDDDLPTAF-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000351419839 536357438 /nfs/dbraw/zinc/35/74/38/536357438.db2.gz RGCSKBCCCNOPIU-QUCCMNQESA-N 2 0 343.515 3.003 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1CC[NH+](C)CC1 ZINC000089510169 546644911 /nfs/dbraw/zinc/64/49/11/546644911.db2.gz URUPMMZUEIURJK-CYBMUJFWSA-N 2 0 338.879 3.321 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000090943629 546661303 /nfs/dbraw/zinc/66/13/03/546661303.db2.gz LRRNYTISHGTMSJ-DZGCQCFKSA-N 2 0 339.886 3.378 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000090943635 546661312 /nfs/dbraw/zinc/66/13/12/546661312.db2.gz LRRNYTISHGTMSJ-HIFRSBDPSA-N 2 0 339.886 3.378 20 0 EGADRP Cc1cc(C)cc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134924632 546831200 /nfs/dbraw/zinc/83/12/00/546831200.db2.gz XNXJQVKCOYGOBY-XLIONFOSSA-N 2 0 341.499 3.191 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000162193108 546964188 /nfs/dbraw/zinc/96/41/88/546964188.db2.gz BKBFULNDCJDBQU-LBPRGKRZSA-N 2 0 343.284 3.451 20 0 EGADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166327556 546987466 /nfs/dbraw/zinc/98/74/66/546987466.db2.gz VTXOZRQWMDEXHQ-HUUCEWRRSA-N 2 0 341.268 3.347 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000178378497 547036963 /nfs/dbraw/zinc/03/69/63/547036963.db2.gz IQZRVEVADWELHN-BBRMVZONSA-N 2 0 326.481 3.309 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3c[nH]nc3C)CC2)cc1 ZINC000180328932 547055009 /nfs/dbraw/zinc/05/50/09/547055009.db2.gz LENLZFUACKNZRL-OAHLLOKOSA-N 2 0 342.487 3.290 20 0 EGADRP CCSc1cccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000185612569 547119817 /nfs/dbraw/zinc/11/98/17/547119817.db2.gz XPSCWADWPUJTMA-UHFFFAOYSA-N 2 0 345.512 3.424 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068635 547568282 /nfs/dbraw/zinc/56/82/82/547568282.db2.gz RWHYWBWGZUNTBC-CABCVRRESA-N 2 0 335.879 3.193 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)o1 ZINC000339253872 547572638 /nfs/dbraw/zinc/57/26/38/547572638.db2.gz FLYNXPRFRYCAOS-AEFFLSMTSA-N 2 0 347.503 3.106 20 0 EGADRP C[C@@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)C1CC[NH+](C)CC1 ZINC000387452667 547823208 /nfs/dbraw/zinc/82/32/08/547823208.db2.gz QTYHGBHPUOUZJI-GOSISDBHSA-N 3 0 329.532 3.361 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000391883311 547831727 /nfs/dbraw/zinc/83/17/27/547831727.db2.gz MSFVCSVQKLEYEP-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414933945 547861427 /nfs/dbraw/zinc/86/14/27/547861427.db2.gz XJNNLMWDVXSQOU-FRRDWIJNSA-N 2 0 343.393 3.282 20 0 EGADRP CC(C)Oc1ccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000672617460 548453497 /nfs/dbraw/zinc/45/34/97/548453497.db2.gz BCHZXPORIKJNSH-LAUBAEHRSA-N 2 0 347.547 3.396 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000672617461 548453674 /nfs/dbraw/zinc/45/36/74/548453674.db2.gz BCHZXPORIKJNSH-UTKZUKDTSA-N 2 0 347.547 3.396 20 0 EGADRP Cc1cc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(C)c1F ZINC000675876786 548995109 /nfs/dbraw/zinc/99/51/09/548995109.db2.gz SOTDKPKYXDLJBH-WMZOPIPTSA-N 2 0 333.495 3.262 20 0 EGADRP CCCc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000677238394 549234654 /nfs/dbraw/zinc/23/46/54/549234654.db2.gz UZDXWUYVJQLCHV-KRWDZBQOSA-N 2 0 325.456 3.098 20 0 EGADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000678769648 549557099 /nfs/dbraw/zinc/55/70/99/549557099.db2.gz YLLBBDODTZLSMC-LAUBAEHRSA-N 2 0 329.532 3.173 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000678775015 549558424 /nfs/dbraw/zinc/55/84/24/549558424.db2.gz XDDXQIVUWJCFAT-IERDGZPVSA-N 2 0 339.483 3.435 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000679186912 549652067 /nfs/dbraw/zinc/65/20/67/549652067.db2.gz AMNBQYPYRIRKNO-QGZVFWFLSA-N 2 0 339.483 3.407 20 0 EGADRP C[C@H]([NH2+]CCNc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000679371167 549698527 /nfs/dbraw/zinc/69/85/27/549698527.db2.gz RXFNHSIWIDYTGR-ZDUSSCGKSA-N 2 0 340.309 3.181 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000679387287 549701664 /nfs/dbraw/zinc/70/16/64/549701664.db2.gz XDMCUJCWKXFESF-FQEVSTJZSA-N 2 0 345.506 3.377 20 0 EGADRP Cc1ccncc1[C@@H](C)[NH2+]CCOCC[NH2+][C@H](C)c1cnccc1C ZINC000679941480 549793988 /nfs/dbraw/zinc/79/39/88/549793988.db2.gz DOSUVNGTCGSWRZ-QZTJIDSGSA-N 2 0 342.487 3.111 20 0 EGADRP Cc1noc(C)c1[C@H](C)[NH2+]C/C=C\C[NH2+][C@@H](C)c1c(C)noc1C ZINC000680380127 549859336 /nfs/dbraw/zinc/85/93/36/549859336.db2.gz CQQCKVUUPCQBFK-XPOJSHTGSA-N 2 0 332.448 3.454 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000680460812 549868083 /nfs/dbraw/zinc/86/80/83/549868083.db2.gz KLURBWVONLQUAK-LJQANCHMSA-N 2 0 326.488 3.373 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000680464387 549868545 /nfs/dbraw/zinc/86/85/45/549868545.db2.gz GKOGNHAAWKFECT-YKOJYSHRSA-N 2 0 345.575 3.349 20 0 EGADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)OC(C)C ZINC000681140357 549960172 /nfs/dbraw/zinc/96/01/72/549960172.db2.gz VAUBLHIONINWKF-OXJNMPFZSA-N 2 0 334.504 3.481 20 0 EGADRP COCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000683001377 550176872 /nfs/dbraw/zinc/17/68/72/550176872.db2.gz UBWRKTOQQZRGAL-IEBWSBKVSA-N 2 0 334.504 3.264 20 0 EGADRP CCn1ccc(C[NH+](C)C/C=C/C[N@@H+](C)Cc2ccn(CC)c2)c1 ZINC000683031300 550181195 /nfs/dbraw/zinc/18/11/95/550181195.db2.gz UMZRCPQXTQVXCH-BQYQJAHWSA-N 2 0 328.504 3.449 20 0 EGADRP C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000683146014 550196334 /nfs/dbraw/zinc/19/63/34/550196334.db2.gz FSBWJPJQMPYSMQ-CPLUKWAASA-N 2 0 332.488 3.001 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930769 550274876 /nfs/dbraw/zinc/27/48/76/550274876.db2.gz YTCWSOOGTGMFIC-OAQYLSRUSA-N 2 0 349.478 3.414 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684366917 550320401 /nfs/dbraw/zinc/32/04/01/550320401.db2.gz GSOAIRSVVGIZBG-HOTGVXAUSA-N 2 0 337.939 3.448 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1)C(C)C ZINC000684848891 550376269 /nfs/dbraw/zinc/37/62/69/550376269.db2.gz YLWNWMSMDHIFAL-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[N@H+](Cc1ccc(O)cc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685462546 550419571 /nfs/dbraw/zinc/41/95/71/550419571.db2.gz KXMZYAGSGVWFMU-UHFFFAOYSA-N 2 0 340.467 3.499 20 0 EGADRP C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C1CC[NH+](C)CC1 ZINC000685662768 550437411 /nfs/dbraw/zinc/43/74/11/550437411.db2.gz PZRDEZSCDCJVDJ-OXJNMPFZSA-N 2 0 328.500 3.401 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000685849566 550448044 /nfs/dbraw/zinc/44/80/44/550448044.db2.gz NBUFWQXWODNXEM-OALUTQOASA-N 2 0 332.488 3.016 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000729680679 574878234 /nfs/dbraw/zinc/87/82/34/574878234.db2.gz NHUISIBCWQSGST-IBGZPJMESA-N 2 0 337.511 3.327 20 0 EGADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000309967042 574981074 /nfs/dbraw/zinc/98/10/74/574981074.db2.gz LKNQEEFMSLVQFT-UHFFFAOYSA-N 2 0 327.513 3.189 20 0 EGADRP C=Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000683704740 576186254 /nfs/dbraw/zinc/18/62/54/576186254.db2.gz FEEDTAGCYKOLED-NJDAHSKKSA-N 2 0 336.483 3.374 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687948730 1298121489 /nfs/dbraw/zinc/12/14/89/1298121489.db2.gz LLMJOWNQTBAFNR-INIZCTEOSA-N 2 0 341.524 3.100 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000691658932 1298136214 /nfs/dbraw/zinc/13/62/14/1298136214.db2.gz FISDUZXYQIKULR-CVEARBPZSA-N 2 0 327.513 3.096 20 0 EGADRP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000693665690 1298151304 /nfs/dbraw/zinc/15/13/04/1298151304.db2.gz UIRBJITWMQTKFO-PMACEKPBSA-N 3 0 329.532 3.109 20 0 EGADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000693665691 1298151346 /nfs/dbraw/zinc/15/13/46/1298151346.db2.gz UIRBJITWMQTKFO-UXHICEINSA-N 3 0 329.532 3.109 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1F ZINC000067121581 1292148834 /nfs/dbraw/zinc/14/88/34/1292148834.db2.gz BVPKPOBTHXTNGL-UHFFFAOYSA-N 2 0 342.458 3.381 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000067223126 1292154404 /nfs/dbraw/zinc/15/44/04/1292154404.db2.gz FSSDVYRAUQRQND-AWEZNQCLSA-N 2 0 328.403 3.118 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000067671742 1292167213 /nfs/dbraw/zinc/16/72/13/1292167213.db2.gz FWWMUOYGKJZFBK-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP c1csc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000069748062 1292249547 /nfs/dbraw/zinc/24/95/47/1292249547.db2.gz GSVGGZKQHLSEDT-UHFFFAOYSA-N 2 0 343.540 3.436 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000073023721 1292302004 /nfs/dbraw/zinc/30/20/04/1292302004.db2.gz ILHWWKUXGQUSGX-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000827863284 1292389957 /nfs/dbraw/zinc/38/99/57/1292389957.db2.gz HEEIKYYTCGJXCS-INIZCTEOSA-N 2 0 343.515 3.481 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000075771654 1292411350 /nfs/dbraw/zinc/41/13/50/1292411350.db2.gz WWGRFVIIIVBIAX-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP [NH3+]CCCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000830999616 1292798695 /nfs/dbraw/zinc/79/86/95/1292798695.db2.gz PVHCUMNFBSVWKY-NRFANRHFSA-N 2 0 343.515 3.020 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000831088975 1292807031 /nfs/dbraw/zinc/80/70/31/1292807031.db2.gz QQMWERXNZXKQBY-WQUXRXDGSA-N 2 0 343.515 3.236 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](CNCc2ccn(-c3ccccc3)n2)C1 ZINC000091064192 1292814198 /nfs/dbraw/zinc/81/41/98/1292814198.db2.gz LNEVXZCUNAWZPE-SFHVURJKSA-N 2 0 326.488 3.330 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C(C)(C)C)c1 ZINC000093963643 1292939087 /nfs/dbraw/zinc/93/90/87/1292939087.db2.gz NHZOZZLDLGMHKK-UHFFFAOYSA-N 2 0 328.504 3.459 20 0 EGADRP COc1ccc(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)cc1Cl ZINC000104171779 1293018792 /nfs/dbraw/zinc/01/87/92/1293018792.db2.gz MBIIGYMXPOSZNR-UHFFFAOYSA-N 2 0 346.862 3.337 20 0 EGADRP CCOc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1OC(F)F ZINC000105459379 1293038721 /nfs/dbraw/zinc/03/87/21/1293038721.db2.gz PGDJAJMEHQFVGC-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP COc1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc(OC)c1OC ZINC000116379023 1293204527 /nfs/dbraw/zinc/20/45/27/1293204527.db2.gz VDTWTKMFRXRESO-KRWDZBQOSA-N 2 0 338.492 3.168 20 0 EGADRP Cc1nn(C)c(Cl)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121809049 1293391524 /nfs/dbraw/zinc/39/15/24/1293391524.db2.gz QIFOMMBEOVISJD-UHFFFAOYSA-N 2 0 338.927 3.470 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000124520817 1293477964 /nfs/dbraw/zinc/47/79/64/1293477964.db2.gz MLIKGHFHKSRUGH-IBGZPJMESA-N 2 0 345.462 3.334 20 0 EGADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000124939050 1293489532 /nfs/dbraw/zinc/48/95/32/1293489532.db2.gz GWSYAKVIPGSCAJ-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000125443497 1293508270 /nfs/dbraw/zinc/50/82/70/1293508270.db2.gz ZWSBINDNPMMZGH-OAHLLOKOSA-N 2 0 330.394 3.449 20 0 EGADRP CC(C)c1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000126069093 1293523565 /nfs/dbraw/zinc/52/35/65/1293523565.db2.gz OHSRIKJLFUZVII-UHFFFAOYSA-N 2 0 338.499 3.247 20 0 EGADRP Cc1nccn1-c1ccc(CN[C@@H](C)c2cccnc2Cl)cn1 ZINC000126358389 1293532158 /nfs/dbraw/zinc/53/21/58/1293532158.db2.gz LGYUJIHVZNBSNO-LBPRGKRZSA-N 2 0 327.819 3.475 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCCCC[NH3+])C1 ZINC000155444447 1294098016 /nfs/dbraw/zinc/09/80/16/1294098016.db2.gz PUFIQLNFRVQZDH-QZTJIDSGSA-N 2 0 345.531 3.300 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000157162918 1294169781 /nfs/dbraw/zinc/16/97/81/1294169781.db2.gz VDYKCDVZWMOEFE-CTNGQTDRSA-N 2 0 344.499 3.208 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(C)cs2)[C@H](C)C1 ZINC000157268411 1294172470 /nfs/dbraw/zinc/17/24/70/1294172470.db2.gz KBYIAJJRCFOTLV-NVXWUHKLSA-N 2 0 339.549 3.111 20 0 EGADRP [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166417193 1294362479 /nfs/dbraw/zinc/36/24/79/1294362479.db2.gz SHSHEBQEJPFTNA-UXHICEINSA-N 2 0 343.515 3.196 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000173338558 1294459766 /nfs/dbraw/zinc/45/97/66/1294459766.db2.gz GCLIPJHYMIHBLV-SJORKVTESA-N 2 0 339.524 3.145 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000180013856 1294851928 /nfs/dbraw/zinc/85/19/28/1294851928.db2.gz VHOBPZRHKVWURE-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP CC(=O)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185767812 1295284526 /nfs/dbraw/zinc/28/45/26/1295284526.db2.gz DHNSDLFEBGDRQZ-QAPCUYQASA-N 2 0 330.472 3.355 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870867539 1296121146 /nfs/dbraw/zinc/12/11/46/1296121146.db2.gz QLMPBCOGPMCOBW-ZWOKBUDYSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)C1 ZINC000870866444 1296121157 /nfs/dbraw/zinc/12/11/57/1296121157.db2.gz WHEMDKYOAUHKPL-NXHRZFHOSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000870865645 1296121483 /nfs/dbraw/zinc/12/14/83/1296121483.db2.gz AVAFDVZXFMCIKM-PWIZWCRZSA-N 2 0 343.515 3.195 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000236610833 1296192527 /nfs/dbraw/zinc/19/25/27/1296192527.db2.gz XATZYRMXFNFFGL-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP [NH3+]CCCCCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237960270 1296272306 /nfs/dbraw/zinc/27/23/06/1296272306.db2.gz AISMMMLGOJNTFP-QGZVFWFLSA-N 2 0 337.895 3.112 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000247223152 1296386070 /nfs/dbraw/zinc/38/60/70/1296386070.db2.gz WNSHJPFRMRSJAV-HZPDHXFCSA-N 2 0 341.540 3.390 20 0 EGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538111 1296593271 /nfs/dbraw/zinc/59/32/71/1296593271.db2.gz DBDITEGQVUEKTA-UWHLTILDSA-N 2 0 327.516 3.161 20 0 EGADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261538172 1296594753 /nfs/dbraw/zinc/59/47/53/1296594753.db2.gz NLFBLYFONNBMLP-DOIPELPJSA-N 2 0 327.516 3.161 20 0 EGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1Cl ZINC000261830261 1296606079 /nfs/dbraw/zinc/60/60/79/1296606079.db2.gz XMBJINQVINGQKK-MRXNPFEDSA-N 2 0 335.879 3.133 20 0 EGADRP Clc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1OCCCO2 ZINC000262042259 1296616753 /nfs/dbraw/zinc/61/67/53/1296616753.db2.gz PIIMZZZLEMNYKG-UHFFFAOYSA-N 2 0 336.863 3.077 20 0 EGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000262203699 1296621598 /nfs/dbraw/zinc/62/15/98/1296621598.db2.gz KUCOHCSHYGIOOR-UHFFFAOYSA-N 2 0 341.499 3.208 20 0 EGADRP C[C@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000262508628 1296637261 /nfs/dbraw/zinc/63/72/61/1296637261.db2.gz MTQPOQYPUXUQBW-RYUDHWBXSA-N 2 0 344.286 3.239 20 0 EGADRP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156223 1296776655 /nfs/dbraw/zinc/77/66/55/1296776655.db2.gz GKFLFDQLXKBCCW-PXNSSMCTSA-N 2 0 343.515 3.166 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000872223388 1296829993 /nfs/dbraw/zinc/82/99/93/1296829993.db2.gz QOZZQUHSRGUJOQ-SFHVURJKSA-N 2 0 326.431 3.098 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000872279949 1296889324 /nfs/dbraw/zinc/88/93/24/1296889324.db2.gz NGBNXTZBNJVIAO-RBUKOAKNSA-N 2 0 335.536 3.055 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000304716240 1296936299 /nfs/dbraw/zinc/93/62/99/1296936299.db2.gz NIILNWVCXDUSND-UHFFFAOYSA-N 2 0 328.431 3.072 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000310056350 1297085762 /nfs/dbraw/zinc/08/57/62/1297085762.db2.gz LPFDBKVNHXNGTP-MRXNPFEDSA-N 2 0 333.476 3.465 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000310191953 1297092354 /nfs/dbraw/zinc/09/23/54/1297092354.db2.gz QGEUZGOWLNEUHI-RXVVDRJESA-N 2 0 329.532 3.359 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](n2cncn2)C1 ZINC000340522137 1297314783 /nfs/dbraw/zinc/31/47/83/1297314783.db2.gz BMZNBUVNRLMNFU-AHRSYUTCSA-N 2 0 345.535 3.395 20 0 EGADRP Cc1cccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)c1 ZINC000873202018 1297347410 /nfs/dbraw/zinc/34/74/10/1297347410.db2.gz KAZSDWMDJALSDR-UHFFFAOYSA-N 2 0 327.497 3.024 20 0 EGADRP COC(=O)c1coc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232148 1297371854 /nfs/dbraw/zinc/37/18/54/1297371854.db2.gz LKRXJQZUIPHBDA-RDTXWAMCSA-N 2 0 334.460 3.186 20 0 EGADRP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232143 1297372932 /nfs/dbraw/zinc/37/29/32/1297372932.db2.gz LKRXJQZUIPHBDA-KBXCAEBGSA-N 2 0 334.460 3.186 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(N2CCCC2=O)c1 ZINC000873236806 1297379068 /nfs/dbraw/zinc/37/90/68/1297379068.db2.gz FHLVQBVFCGDVOC-INIZCTEOSA-N 2 0 349.478 3.310 20 0 EGADRP FC(F)(F)[C@H]1CCC[C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000873246503 1297387616 /nfs/dbraw/zinc/38/76/16/1297387616.db2.gz VVTQGSUVDHPLGZ-QWHCGFSZSA-N 2 0 328.382 3.024 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCSc3ccc(Br)cc32)C1 ZINC000873253717 1297390617 /nfs/dbraw/zinc/39/06/17/1297390617.db2.gz CYODFVDRRBHGKR-NDMJEZRESA-N 2 0 327.291 3.313 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1C[NH+]1CCCCC1 ZINC000873252668 1297391666 /nfs/dbraw/zinc/39/16/66/1297391666.db2.gz UZCYJOROJBEFMH-TXPKVOOTSA-N 3 0 331.504 3.069 20 0 EGADRP COc1ccc([C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C(C)C)c(Br)c1 ZINC000873255877 1297393521 /nfs/dbraw/zinc/39/35/21/1297393521.db2.gz JNIMMYWMMKTYEW-XHBSWPGZSA-N 2 0 341.293 3.482 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000873260188 1297395404 /nfs/dbraw/zinc/39/54/04/1297395404.db2.gz UTRAZIISIQOZGM-BWUHRYBWSA-N 2 0 327.516 3.160 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000873291577 1297412631 /nfs/dbraw/zinc/41/26/31/1297412631.db2.gz KOYLFTPZLVNBQB-PMACEKPBSA-N 2 0 328.500 3.064 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291766 1297414064 /nfs/dbraw/zinc/41/40/64/1297414064.db2.gz XIEOUTPYGCNVSR-LPHOPBHVSA-N 2 0 332.488 3.285 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(C)ccc1OC ZINC000873291943 1297414470 /nfs/dbraw/zinc/41/44/70/1297414470.db2.gz OIGBSFFMQUGHCN-SJLPKXTDSA-N 2 0 332.488 3.203 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291707 1297414479 /nfs/dbraw/zinc/41/44/79/1297414479.db2.gz IEPBJFKSBLJGEF-RDJZCZTQSA-N 2 0 328.456 3.112 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(C)ccc1OC ZINC000873291941 1297414572 /nfs/dbraw/zinc/41/45/72/1297414572.db2.gz OIGBSFFMQUGHCN-AEFFLSMTSA-N 2 0 332.488 3.203 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291765 1297414594 /nfs/dbraw/zinc/41/45/94/1297414594.db2.gz XIEOUTPYGCNVSR-APWZRJJASA-N 2 0 332.488 3.285 20 0 EGADRP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379615036 1297534369 /nfs/dbraw/zinc/53/43/69/1297534369.db2.gz AAYUNSNICUCMON-QRWLVFNGSA-N 2 0 348.437 3.498 20 0 EGADRP CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559342 1297731234 /nfs/dbraw/zinc/73/12/34/1297731234.db2.gz HIUQLNUCYYRZKF-OAGGEKHMSA-N 2 0 327.513 3.093 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400432572 1297731523 /nfs/dbraw/zinc/73/15/23/1297731523.db2.gz LOJWQFYNMSQGHD-OAHLLOKOSA-N 2 0 341.540 3.199 20 0 EGADRP C[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000585085577 1298024819 /nfs/dbraw/zinc/02/48/19/1298024819.db2.gz DWQHORMUPZYNDN-SEJPIABJSA-N 3 0 327.516 3.256 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000693029466 1298146995 /nfs/dbraw/zinc/14/69/95/1298146995.db2.gz AAWNIIDUKTURCJ-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700803862 1298180364 /nfs/dbraw/zinc/18/03/64/1298180364.db2.gz NFXUEEWHJOJEOM-IXDOHACOSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000704493328 1298208090 /nfs/dbraw/zinc/20/80/90/1298208090.db2.gz FBFARANFGONLLD-OALUTQOASA-N 2 0 345.531 3.167 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000708524460 1298240513 /nfs/dbraw/zinc/24/05/13/1298240513.db2.gz SLACIYOIXNTTOI-FRYIKTPZSA-N 2 0 328.500 3.302 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000709322853 1298248183 /nfs/dbraw/zinc/24/81/83/1298248183.db2.gz AORHCXDOOSYFSB-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP OCc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000714966776 1298274284 /nfs/dbraw/zinc/27/42/84/1298274284.db2.gz LYTLDSWVPHBBAQ-NQIIRXRSSA-N 2 0 337.467 3.065 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000715551197 1298279678 /nfs/dbraw/zinc/27/96/78/1298279678.db2.gz GOZAQRLGPXRZSZ-YVSFHVDLSA-N 2 0 339.524 3.237 20 0 EGADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000717501625 1298303399 /nfs/dbraw/zinc/30/33/99/1298303399.db2.gz FTSIYBOWPZCWSB-XLIONFOSSA-N 2 0 345.531 3.121 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H](C)[NH3+] ZINC000719928724 1298326790 /nfs/dbraw/zinc/32/67/90/1298326790.db2.gz XIWHYQPQMUVNQF-IHPCNDPISA-N 2 0 345.531 3.119 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]12CCC[C@H]1OCC2 ZINC000720142233 1298327002 /nfs/dbraw/zinc/32/70/02/1298327002.db2.gz KDIBNBTVQAVFFD-PMXSJFBMSA-N 2 0 328.500 3.446 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724043655 1298345253 /nfs/dbraw/zinc/34/52/53/1298345253.db2.gz BSUQMECGRPIFAQ-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000877007107 1299111268 /nfs/dbraw/zinc/11/12/68/1299111268.db2.gz CZNGNYAWQIRQGJ-HOTGVXAUSA-N 2 0 327.299 3.334 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000877137461 1299177039 /nfs/dbraw/zinc/17/70/39/1299177039.db2.gz WXZLVBVFAXJLND-LEWJYISDSA-N 2 0 349.478 3.296 20 0 EGADRP CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000752802349 1299797472 /nfs/dbraw/zinc/79/74/72/1299797472.db2.gz IGUXWNFHSOIMGD-FQEVSTJZSA-N 2 0 349.563 3.427 20 0 EGADRP CCC1(N2CCOCC2)CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000879060852 1300345221 /nfs/dbraw/zinc/34/52/21/1300345221.db2.gz HDYWQDHPHYMHFY-QGZVFWFLSA-N 2 0 338.536 3.157 20 0 EGADRP Cc1ccccc1-c1noc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879246748 1300451350 /nfs/dbraw/zinc/45/13/50/1300451350.db2.gz IDBULDROHOKMDD-UHFFFAOYSA-N 2 0 340.471 3.353 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nnc(-c3cccc(F)c3)o1)CC2 ZINC000879248289 1300453283 /nfs/dbraw/zinc/45/32/83/1300453283.db2.gz QFMBBCYLHMJMGX-UHFFFAOYSA-N 2 0 344.434 3.184 20 0 EGADRP Cc1cccc(Cl)c1NC(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249767 1300453361 /nfs/dbraw/zinc/45/33/61/1300453361.db2.gz ALZAKTBEQQIHAM-UHFFFAOYSA-N 2 0 349.906 3.395 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759125934 1301019083 /nfs/dbraw/zinc/01/90/83/1301019083.db2.gz MMGJUKGIRFZQIK-MRXNPFEDSA-N 2 0 331.287 3.300 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759133850 1301020582 /nfs/dbraw/zinc/02/05/82/1301020582.db2.gz FXUNJWZMNBGAFW-INIZCTEOSA-N 2 0 341.540 3.391 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000760155058 1301227921 /nfs/dbraw/zinc/22/79/21/1301227921.db2.gz CBNDYEKNYPJWAT-NSHDSACASA-N 2 0 334.291 3.195 20 0 EGADRP CCCCCCNC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760832142 1301346521 /nfs/dbraw/zinc/34/65/21/1301346521.db2.gz VSUKWXOHARYYTR-MOPGFXCFSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000765240699 1302225778 /nfs/dbraw/zinc/22/57/78/1302225778.db2.gz XPVVEAWNKKHDKW-KRWDZBQOSA-N 2 0 349.588 3.444 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000765805509 1302333333 /nfs/dbraw/zinc/33/33/33/1302333333.db2.gz OAYWMUFGQVQUIP-IRXDYDNUSA-N 2 0 341.540 3.342 20 0 EGADRP Cc1nccn1CC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766253709 1302416667 /nfs/dbraw/zinc/41/66/67/1302416667.db2.gz WHUORNMDZUUDGG-UHFFFAOYSA-N 2 0 348.491 3.055 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000768094829 1302821940 /nfs/dbraw/zinc/82/19/40/1302821940.db2.gz CUWDWYHJTAKZES-ILXRZTDVSA-N 2 0 344.421 3.244 20 0 EGADRP c1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000885916160 1303274060 /nfs/dbraw/zinc/27/40/60/1303274060.db2.gz QFILFVZAJVMCJS-FQEVSTJZSA-N 2 0 344.499 3.100 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885923738 1303277985 /nfs/dbraw/zinc/27/79/85/1303277985.db2.gz BUXJOZHTHDCDLU-QRVBRYPASA-N 2 0 338.536 3.062 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2CCSC2=S)CC1)CC1CC1 ZINC000770684785 1303306709 /nfs/dbraw/zinc/30/67/09/1303306709.db2.gz MJXFHYFZUIPTDN-UHFFFAOYSA-N 2 0 341.590 3.112 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000886012528 1303318635 /nfs/dbraw/zinc/31/86/35/1303318635.db2.gz JPPYWAVXGFSGRY-LJQANCHMSA-N 2 0 338.536 3.062 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000886081128 1303349503 /nfs/dbraw/zinc/34/95/03/1303349503.db2.gz JHEQMBMXAGXKMC-MJUUVYJYSA-N 2 0 346.515 3.023 20 0 EGADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000886160632 1303380288 /nfs/dbraw/zinc/38/02/88/1303380288.db2.gz YSOLYIHADQQVRX-UXHICEINSA-N 2 0 331.504 3.231 20 0 EGADRP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)O2)CO1 ZINC000886330533 1303436480 /nfs/dbraw/zinc/43/64/80/1303436480.db2.gz TZMQUZFCMWXAPP-LSTHTHJFSA-N 2 0 336.520 3.100 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000886540332 1303492471 /nfs/dbraw/zinc/49/24/71/1303492471.db2.gz CTCPTTLPXPVEFJ-MOMVYJMYSA-N 2 0 341.499 3.179 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](CO)c2c(F)cccc2F)CC1 ZINC000886548178 1303495888 /nfs/dbraw/zinc/49/58/88/1303495888.db2.gz YKAKRBBZRKXKKW-LTCLLZNKSA-N 2 0 338.442 3.385 20 0 EGADRP CC(C)(C)N1C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1=O ZINC000886639544 1303535739 /nfs/dbraw/zinc/53/57/39/1303535739.db2.gz FYNNHLLEKOXYGB-ZRZPHAQCSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCc2ccccc2C1 ZINC000774108028 1303774524 /nfs/dbraw/zinc/77/45/24/1303774524.db2.gz DTPJQKSWPMYOPZ-ASJDWODUSA-N 2 0 327.516 3.038 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)Cn2cccn2)ccc1OC ZINC000775399173 1303956317 /nfs/dbraw/zinc/95/63/17/1303956317.db2.gz AFEMMCMSOFFCMC-SJORKVTESA-N 2 0 344.503 3.473 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cn1 ZINC000779517413 1304580042 /nfs/dbraw/zinc/58/00/42/1304580042.db2.gz YTTDGOBNJCYSHR-HNNXBMFYSA-N 2 0 339.830 3.401 20 0 EGADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000783234768 1305068188 /nfs/dbraw/zinc/06/81/88/1305068188.db2.gz SSUGVNANLJGZKX-UZLBHIALSA-N 2 0 332.488 3.064 20 0 EGADRP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000892611657 1305471131 /nfs/dbraw/zinc/47/11/31/1305471131.db2.gz YYOOIJDVXCEXIC-UHFFFAOYSA-N 2 0 344.503 3.311 20 0 EGADRP C[N@H+](CCOC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ccc(F)cc1 ZINC000786893838 1305649843 /nfs/dbraw/zinc/64/98/43/1305649843.db2.gz XOCPDESXWKYUNB-LJQANCHMSA-N 2 0 348.462 3.208 20 0 EGADRP CNc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ncn1 ZINC000893038244 1305675444 /nfs/dbraw/zinc/67/54/44/1305675444.db2.gz WUTKASNARRDBFG-UHFFFAOYSA-N 2 0 337.471 3.011 20 0 EGADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1ccc(Br)cc1 ZINC000893078983 1305695405 /nfs/dbraw/zinc/69/54/05/1305695405.db2.gz SRKYCHOYJGDPRS-ZDUSSCGKSA-N 2 0 341.293 3.148 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000788474252 1305951663 /nfs/dbraw/zinc/95/16/63/1305951663.db2.gz OHDYFEMPGOFJGM-UHFFFAOYSA-N 2 0 337.511 3.299 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000788489675 1305955436 /nfs/dbraw/zinc/95/54/36/1305955436.db2.gz ZSWMRWIESJOGMX-IBGZPJMESA-N 2 0 344.503 3.004 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCc3ccc(Cl)nc32)C[C@@H](C)O1 ZINC000788646883 1305989262 /nfs/dbraw/zinc/98/92/62/1305989262.db2.gz TVGKRRAMKWSYLE-FMKPAKJESA-N 2 0 337.895 3.201 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCc3ccc(Cl)nc32)C[C@H](C)O1 ZINC000788646893 1305990309 /nfs/dbraw/zinc/99/03/09/1305990309.db2.gz TVGKRRAMKWSYLE-LZWOXQAQSA-N 2 0 337.895 3.201 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790749104 1308858239 /nfs/dbraw/zinc/85/82/39/1308858239.db2.gz CLAHTMZVVSWRGV-HZPDHXFCSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc(CC(F)(F)F)s3)C2)CC1 ZINC000894480293 1308914990 /nfs/dbraw/zinc/91/49/90/1308914990.db2.gz YLAAFNNWFPAVQD-CYBMUJFWSA-N 2 0 347.450 3.412 20 0 EGADRP Fc1ccc(CC[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000895347493 1309292241 /nfs/dbraw/zinc/29/22/41/1309292241.db2.gz ZFWUBSFRHRRCLO-UHFFFAOYSA-N 2 0 345.437 3.404 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc(Cl)n1 ZINC000797596455 1310217727 /nfs/dbraw/zinc/21/77/27/1310217727.db2.gz YLIAPGNCXWEPEL-UHFFFAOYSA-N 2 0 333.863 3.274 20 0 EGADRP c1ccc([C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4ccccn4)C3)C2)nc1 ZINC000799189896 1310501937 /nfs/dbraw/zinc/50/19/37/1310501937.db2.gz IGTMSURAIPAPRV-OALUTQOASA-N 2 0 336.483 3.146 20 0 EGADRP C(=C\C[N@@H+]1CC[C@@H](c2ccccn2)C1)\C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799192904 1310506634 /nfs/dbraw/zinc/50/66/34/1310506634.db2.gz FBUHRQSRJYNRKS-GGJLBNBESA-N 2 0 348.494 3.312 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccccc1OC ZINC000800368743 1310744181 /nfs/dbraw/zinc/74/41/81/1310744181.db2.gz BJJQOLLQKYITDV-IBGZPJMESA-N 2 0 333.520 3.152 20 0 EGADRP c1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000839478910 1320927283 /nfs/dbraw/zinc/92/72/83/1320927283.db2.gz IPLAQYCHZMFCOL-FQEVSTJZSA-N 2 0 344.499 3.257 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018968208 1316989661 /nfs/dbraw/zinc/98/96/61/1316989661.db2.gz XYAVSRHVLQZVTA-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCC2CCCC2)C1 ZINC000957278854 1317256197 /nfs/dbraw/zinc/25/61/97/1317256197.db2.gz QJWARWCGSMNYPR-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000957325202 1317285634 /nfs/dbraw/zinc/28/56/34/1317285634.db2.gz IZCTZDHKUNEYKA-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019632313 1317311601 /nfs/dbraw/zinc/31/16/01/1317311601.db2.gz IIKQDQPCOJFSGL-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)c1 ZINC000900650589 1317318605 /nfs/dbraw/zinc/31/86/05/1317318605.db2.gz CRFBKBWZDRKBTB-UXHICEINSA-N 2 0 343.515 3.160 20 0 EGADRP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000957445518 1317367943 /nfs/dbraw/zinc/36/79/43/1317367943.db2.gz NTLOZMGEHRMQAG-MRXNPFEDSA-N 2 0 349.519 3.314 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001019816410 1317438569 /nfs/dbraw/zinc/43/85/69/1317438569.db2.gz ZBBRQICZKQTGSB-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000902334596 1317564433 /nfs/dbraw/zinc/56/44/33/1317564433.db2.gz RBICMVANJBCLDZ-RDTXWAMCSA-N 2 0 329.488 3.464 20 0 EGADRP COc1cccc(N2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)C2)c1 ZINC000902327107 1317564539 /nfs/dbraw/zinc/56/45/39/1317564539.db2.gz DSQCFOPMHOLQSK-IAGOWNOFSA-N 2 0 331.504 3.032 20 0 EGADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)ccc2NC1=O ZINC000902333177 1317564854 /nfs/dbraw/zinc/56/48/54/1317564854.db2.gz HUEGOBZFQXCZED-KMFMINBZSA-N 2 0 345.487 3.225 20 0 EGADRP CN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000902373009 1317569136 /nfs/dbraw/zinc/56/91/36/1317569136.db2.gz VKFSPVPZLNFMHM-BZSNNMDCSA-N 2 0 335.923 3.453 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000902388330 1317571420 /nfs/dbraw/zinc/57/14/20/1317571420.db2.gz OMRIHSAWWNHIAS-NVXWUHKLSA-N 2 0 344.503 3.035 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000902385944 1317571671 /nfs/dbraw/zinc/57/16/71/1317571671.db2.gz AUKHVXVABQVTAH-HOCLYGCPSA-N 2 0 330.451 3.440 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000902428793 1317577946 /nfs/dbraw/zinc/57/79/46/1317577946.db2.gz AKTRVWPWMVMVLU-NQIIRXRSSA-N 2 0 344.499 3.285 20 0 EGADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000902436997 1317578728 /nfs/dbraw/zinc/57/87/28/1317578728.db2.gz GDNSUWFSSKESBM-QGAVKGNSSA-N 2 0 347.506 3.396 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502496 1317584468 /nfs/dbraw/zinc/58/44/68/1317584468.db2.gz MWODAQRGVBSHIS-WOGUSJMUSA-N 2 0 330.472 3.037 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000957720836 1317588769 /nfs/dbraw/zinc/58/87/69/1317588769.db2.gz ZXPJYYBXYUWHFX-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1)C(C)C ZINC000957726604 1317593530 /nfs/dbraw/zinc/59/35/30/1317593530.db2.gz VWEYEWQTAGOMAE-UHFFFAOYSA-N 2 0 342.487 3.225 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001020214328 1317595845 /nfs/dbraw/zinc/59/58/45/1317595845.db2.gz PVACDQSJCZYXPP-MUGJNUQGSA-N 2 0 343.515 3.249 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001020214431 1317596505 /nfs/dbraw/zinc/59/65/05/1317596505.db2.gz STMINAKGVXDRIW-VBSBHUPXSA-N 2 0 343.515 3.167 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020239281 1317604860 /nfs/dbraw/zinc/60/48/60/1317604860.db2.gz VKZJECGBVZOKPD-LEAZDLGRSA-N 2 0 343.515 3.247 20 0 EGADRP CCO[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000902793472 1317616887 /nfs/dbraw/zinc/61/68/87/1317616887.db2.gz IPYOSBMORWOZGY-ICSRJNTNSA-N 2 0 334.504 3.107 20 0 EGADRP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000902792500 1317616942 /nfs/dbraw/zinc/61/69/42/1317616942.db2.gz AOERVWROYOCNJT-TZIWHRDSSA-N 2 0 346.515 3.081 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000957753395 1317622700 /nfs/dbraw/zinc/62/27/00/1317622700.db2.gz MWGBFOLTCYYESQ-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001020301320 1317635608 /nfs/dbraw/zinc/63/56/08/1317635608.db2.gz XNKIRCMITLDUKY-VAMGGRTRSA-N 2 0 343.515 3.031 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903076878 1317647873 /nfs/dbraw/zinc/64/78/73/1317647873.db2.gz VLPLCAORRCWEJJ-NPZYAJIESA-N 2 0 333.564 3.490 20 0 EGADRP COc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1OC ZINC000903078328 1317648523 /nfs/dbraw/zinc/64/85/23/1317648523.db2.gz GHSMTIDZRGQUIC-JLYLLQBASA-N 2 0 344.499 3.384 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000903089867 1317650622 /nfs/dbraw/zinc/65/06/22/1317650622.db2.gz UKPYEANWIZHMBP-ZEIDCXACSA-N 2 0 339.483 3.014 20 0 EGADRP COc1ccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)c2c1 ZINC000903096714 1317652095 /nfs/dbraw/zinc/65/20/95/1317652095.db2.gz JLNQHDCYFOJLFF-ZNXRZULTSA-N 2 0 339.483 3.466 20 0 EGADRP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1C ZINC000903116334 1317656293 /nfs/dbraw/zinc/65/62/93/1317656293.db2.gz HEYLFKPCQOBXJP-MYGYKHERSA-N 2 0 330.516 3.434 20 0 EGADRP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)c1 ZINC000903121001 1317657122 /nfs/dbraw/zinc/65/71/22/1317657122.db2.gz ZHMUIZMNYCVBHV-YNWKUBOOSA-N 2 0 330.516 3.434 20 0 EGADRP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000903121092 1317657196 /nfs/dbraw/zinc/65/71/96/1317657196.db2.gz RSHUDLZWSALMIP-MAWREPJSSA-N 2 0 345.531 3.164 20 0 EGADRP CC1CCC2(CC1)OC[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)O2 ZINC000903141893 1317662557 /nfs/dbraw/zinc/66/25/57/1317662557.db2.gz TVRQEEOBABWUSA-LFIDDVRHSA-N 2 0 334.504 3.056 20 0 EGADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903179684 1317668794 /nfs/dbraw/zinc/66/87/94/1317668794.db2.gz SRXVMBGQJFYKKN-ZBSSRIJBSA-N 2 0 337.508 3.037 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000903214332 1317674575 /nfs/dbraw/zinc/67/45/75/1317674575.db2.gz YGUWSDZKZGIJHG-DITUJHHDSA-N 2 0 327.428 3.342 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001020396026 1317678374 /nfs/dbraw/zinc/67/83/74/1317678374.db2.gz BETCBTAATHMOIN-SNRMKQJTSA-N 2 0 348.450 3.254 20 0 EGADRP O[C@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000903408513 1317697705 /nfs/dbraw/zinc/69/77/05/1317697705.db2.gz RXHMLVDLDXJXGB-OTYNDTSQSA-N 2 0 328.500 3.323 20 0 EGADRP C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1CC[NH3+] ZINC000903496438 1317706256 /nfs/dbraw/zinc/70/62/56/1317706256.db2.gz NTIKBCXYLGVOSS-VXGBXAGGSA-N 2 0 344.286 3.239 20 0 EGADRP Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903507215 1317706697 /nfs/dbraw/zinc/70/66/97/1317706697.db2.gz RJZPNOGKGSRGDZ-HDICACEKSA-N 2 0 333.907 3.049 20 0 EGADRP FC(F)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903508435 1317707000 /nfs/dbraw/zinc/70/70/00/1317707000.db2.gz GTNOYGOVFTVWTI-HDICACEKSA-N 2 0 335.442 3.025 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001020464079 1317708531 /nfs/dbraw/zinc/70/85/31/1317708531.db2.gz XMNXAJWXAUBNAD-KZNAEPCWSA-N 2 0 343.515 3.167 20 0 EGADRP c1ccc(CC2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903717832 1317724766 /nfs/dbraw/zinc/72/47/66/1317724766.db2.gz XHUVKSSXBMFIAC-HXUWFJFHSA-N 2 0 328.500 3.100 20 0 EGADRP Clc1ccc([C@@H]2CC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729433 1317726743 /nfs/dbraw/zinc/72/67/43/1317726743.db2.gz MUTSFFSDVUOIJW-AEFFLSMTSA-N 2 0 334.891 3.288 20 0 EGADRP c1ccc(-c2noc(C3CC[NH+](C[C@H]4CCCC[NH2+]C4)CC3)n2)cc1 ZINC000903730264 1317727252 /nfs/dbraw/zinc/72/72/52/1317727252.db2.gz VCVFIJSQPHSHKE-INIZCTEOSA-N 2 0 340.471 3.306 20 0 EGADRP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735414 1317728346 /nfs/dbraw/zinc/72/83/46/1317728346.db2.gz ZSEBTLDPZQECFP-GPMSIDNRSA-N 2 0 332.463 3.367 20 0 EGADRP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757169 1317730451 /nfs/dbraw/zinc/73/04/51/1317730451.db2.gz YVGIQLZNOWJUCZ-CQSZACIVSA-N 2 0 326.843 3.070 20 0 EGADRP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000903759881 1317731109 /nfs/dbraw/zinc/73/11/09/1317731109.db2.gz STYHHRVJUODWOG-WMLDXEAASA-N 2 0 343.446 3.313 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020499927 1317731171 /nfs/dbraw/zinc/73/11/71/1317731171.db2.gz INIGPMLZFXHTQZ-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CCc1ccc(C2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903776366 1317732396 /nfs/dbraw/zinc/73/23/96/1317732396.db2.gz STTMUNZDPXHKNH-LEWJYISDSA-N 2 0 328.500 3.197 20 0 EGADRP Cc1cccc(NC(=O)CN2CCCC[C@@H]2C2(C[NH3+])CCC2)c1C ZINC000903813367 1317737004 /nfs/dbraw/zinc/73/70/04/1317737004.db2.gz DPSQYANLBRZZPW-GOSISDBHSA-N 2 0 329.488 3.225 20 0 EGADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000903848855 1317739521 /nfs/dbraw/zinc/73/95/21/1317739521.db2.gz UHKPEOMIBNZIAI-SRVKXCTJSA-N 2 0 342.270 3.134 20 0 EGADRP CCC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCc2ccccc21 ZINC000903883948 1317740423 /nfs/dbraw/zinc/74/04/23/1317740423.db2.gz MVWCQPNVRJFFRV-DYESRHJHSA-N 2 0 340.515 3.245 20 0 EGADRP CC[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000903980093 1317760418 /nfs/dbraw/zinc/76/04/18/1317760418.db2.gz HBLYMUIWHYYDFQ-DZFGPLHGSA-N 2 0 327.516 3.081 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000904374754 1317838442 /nfs/dbraw/zinc/83/84/42/1317838442.db2.gz WGMLKVQFINKXAM-CPUCHLNUSA-N 2 0 342.405 3.482 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)C1 ZINC000904380407 1317839737 /nfs/dbraw/zinc/83/97/37/1317839737.db2.gz LWMNMJAPXANOKQ-OSAQELSMSA-N 2 0 341.318 3.353 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc(OC)c1 ZINC000904459298 1317849979 /nfs/dbraw/zinc/84/99/79/1317849979.db2.gz QICZSNNLRKTSDJ-UHFFFAOYSA-N 2 0 340.467 3.196 20 0 EGADRP CCc1ncc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904476190 1317853301 /nfs/dbraw/zinc/85/33/01/1317853301.db2.gz RYERKYQRECZWDD-YJBOKZPZSA-N 2 0 329.469 3.051 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1OC ZINC000809660001 1317858774 /nfs/dbraw/zinc/85/87/74/1317858774.db2.gz INNXDGQJUQFURX-UHFFFAOYSA-N 2 0 332.488 3.320 20 0 EGADRP CN(C)[C@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccccc1Cl ZINC000904663896 1317878544 /nfs/dbraw/zinc/87/85/44/1317878544.db2.gz ALVKLCOYUCLZFU-QGZVFWFLSA-N 2 0 346.862 3.223 20 0 EGADRP C[C@](O)(C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C(F)F ZINC000905076572 1317919499 /nfs/dbraw/zinc/91/94/99/1317919499.db2.gz QKEZDYVZHRYZJS-SFHVURJKSA-N 2 0 326.431 3.168 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@@](C)(O)C(F)F)c2)CC1 ZINC000905088202 1317923177 /nfs/dbraw/zinc/92/31/77/1317923177.db2.gz HPAOPTQFGNZOJA-GOSISDBHSA-N 2 0 326.431 3.024 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)F ZINC000905135162 1317927525 /nfs/dbraw/zinc/92/75/25/1317927525.db2.gz WAFGLVWMJYJNOA-GOSISDBHSA-N 2 0 338.398 3.017 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262811 1317988646 /nfs/dbraw/zinc/98/86/46/1317988646.db2.gz XWKQWKHTNDGINT-HQRMLTQVSA-N 2 0 341.499 3.481 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)cc1 ZINC000905888411 1318014322 /nfs/dbraw/zinc/01/43/22/1318014322.db2.gz DABOICZFAHSBPD-FQEVSTJZSA-N 2 0 348.531 3.064 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC000959925381 1318268695 /nfs/dbraw/zinc/26/86/95/1318268695.db2.gz NJQKFQDVBGIADS-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021470003 1318269597 /nfs/dbraw/zinc/26/95/97/1318269597.db2.gz QWDDTDNQUJJZOH-IPQPSQTFSA-N 2 0 335.536 3.019 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC000960021362 1318317019 /nfs/dbraw/zinc/31/70/19/1318317019.db2.gz BPAWNYATZHGXOG-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC2(CCC(NC(=O)C(C)(C)[NH+]3CCCCC3)CC2)CC1 ZINC000908490740 1318352299 /nfs/dbraw/zinc/35/22/99/1318352299.db2.gz INCKNZCKURISLY-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960131769 1318373659 /nfs/dbraw/zinc/37/36/59/1318373659.db2.gz WGDAEMKHWJJSFA-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C)[NH+](C)C ZINC000960137910 1318376062 /nfs/dbraw/zinc/37/60/62/1318376062.db2.gz WYOVULLGKLHJJW-BJLQDIEVSA-N 2 0 345.531 3.367 20 0 EGADRP C[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC000960156428 1318389656 /nfs/dbraw/zinc/38/96/56/1318389656.db2.gz MAKLLQNZJHJJSW-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624868 1318475714 /nfs/dbraw/zinc/47/57/14/1318475714.db2.gz ZSKMHQSSTHIWIU-HKUYNNGSSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670621 1318534478 /nfs/dbraw/zinc/53/44/78/1318534478.db2.gz NEIDDPKELGOBHI-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705964 1318578362 /nfs/dbraw/zinc/57/83/62/1318578362.db2.gz HQQQIGAYNULPIJ-PMACEKPBSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021742120 1318655576 /nfs/dbraw/zinc/65/55/76/1318655576.db2.gz JWTVBIGZAVHPCM-VQTJNVASSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960631020 1318755842 /nfs/dbraw/zinc/75/58/42/1318755842.db2.gz ZLDICYNDAMAKFD-MOPGFXCFSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C)CC1CCCCCC1 ZINC000960712801 1318816889 /nfs/dbraw/zinc/81/68/89/1318816889.db2.gz UYQAEFRWYZYKBF-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022195621 1318837793 /nfs/dbraw/zinc/83/77/93/1318837793.db2.gz DXBJQOPWYQLVHZ-SLFFLAALSA-N 2 0 347.547 3.092 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)CCn1ccnc1)CC1CCCCCC1 ZINC000960774302 1318874591 /nfs/dbraw/zinc/87/45/91/1318874591.db2.gz IJKFXXFDETVYRQ-IBGZPJMESA-N 2 0 346.519 3.166 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960785724 1318887820 /nfs/dbraw/zinc/88/78/20/1318887820.db2.gz IBEDTMHFKZGYQC-QGZVFWFLSA-N 2 0 349.544 3.045 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960787530 1318890075 /nfs/dbraw/zinc/89/00/75/1318890075.db2.gz NTJMXKRQFGTKJT-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000815200322 1318926553 /nfs/dbraw/zinc/92/65/53/1318926553.db2.gz IXRMRDOEIWNKQF-OALUTQOASA-N 2 0 338.923 3.344 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCCC2)C1 ZINC000960859990 1319002964 /nfs/dbraw/zinc/00/29/64/1319002964.db2.gz CXRGMWUZHLIWNG-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000913648212 1319087123 /nfs/dbraw/zinc/08/71/23/1319087123.db2.gz VQSZVFAABLGJMH-UHFFFAOYSA-N 2 0 335.536 3.118 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)cc1 ZINC001022852319 1319136827 /nfs/dbraw/zinc/13/68/27/1319136827.db2.gz CZZWMYNWVKVJIW-BGYRXZFFSA-N 2 0 343.515 3.179 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000961030804 1319153869 /nfs/dbraw/zinc/15/38/69/1319153869.db2.gz FXBLDIZQUCGDOM-MSOLQXFVSA-N 2 0 349.544 3.045 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001023274258 1319408278 /nfs/dbraw/zinc/40/82/78/1319408278.db2.gz WPEUNVAZZVLTOU-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902364 1319457066 /nfs/dbraw/zinc/45/70/66/1319457066.db2.gz OVUDORRWVFGNEJ-IUODEOHRSA-N 2 0 329.257 3.238 20 0 EGADRP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCc2ccccc21 ZINC000817913574 1319457711 /nfs/dbraw/zinc/45/77/11/1319457711.db2.gz KFWINMBRQLPXJI-PMXSJFBMSA-N 2 0 328.500 3.111 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000817922689 1319461731 /nfs/dbraw/zinc/46/17/31/1319461731.db2.gz KIEPZSMDFIDICT-FDPIWHGQSA-N 2 0 336.907 3.448 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000817923279 1319462025 /nfs/dbraw/zinc/46/20/25/1319462025.db2.gz VQHNXPMMMPFUKM-KPZWWZAWSA-N 2 0 333.863 3.060 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817939701 1319467920 /nfs/dbraw/zinc/46/79/20/1319467920.db2.gz ASNRGYNWQWMYJW-QGZVFWFLSA-N 3 0 345.531 3.331 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(Br)nc1 ZINC000817948628 1319473977 /nfs/dbraw/zinc/47/39/77/1319473977.db2.gz JBLSSYPTPJZWCC-LBPRGKRZSA-N 2 0 334.261 3.196 20 0 EGADRP COc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817951588 1319474537 /nfs/dbraw/zinc/47/45/37/1319474537.db2.gz GVOAAHWCYVWTIB-VQIMIIECSA-N 2 0 331.504 3.084 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1C[NH+]1CCCCC1 ZINC000817977727 1319483967 /nfs/dbraw/zinc/48/39/67/1319483967.db2.gz NQQPHOWMOMYLGM-IRXDYDNUSA-N 3 0 333.520 3.459 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)ccc1OC ZINC000817985588 1319486883 /nfs/dbraw/zinc/48/68/83/1319486883.db2.gz MEZDXKZYRXTMCO-QGZVFWFLSA-N 3 0 345.531 3.497 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961411458 1319566270 /nfs/dbraw/zinc/56/62/70/1319566270.db2.gz NNKNKLKLGKHXAI-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961415065 1319570758 /nfs/dbraw/zinc/57/07/58/1319570758.db2.gz LMXOXJLVOFGZAF-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000818959806 1319590902 /nfs/dbraw/zinc/59/09/02/1319590902.db2.gz TYZCQMQQPBDYQF-SFHVURJKSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000819101818 1319634637 /nfs/dbraw/zinc/63/46/37/1319634637.db2.gz FHARGTZZQAZVQI-WFASDCNBSA-N 2 0 343.309 3.048 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000819152633 1319649006 /nfs/dbraw/zinc/64/90/06/1319649006.db2.gz YCXPSOOYJAEATP-UTKZUKDTSA-N 2 0 326.484 3.441 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819182902 1319660837 /nfs/dbraw/zinc/66/08/37/1319660837.db2.gz RWQVOYYREUGJKO-KBXCAEBGSA-N 2 0 342.886 3.470 20 0 EGADRP CC(C)(C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC000961840498 1319745964 /nfs/dbraw/zinc/74/59/64/1319745964.db2.gz XBHOJZUNMASUNQ-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646219 1319766637 /nfs/dbraw/zinc/76/66/37/1319766637.db2.gz KEYTZQQZXXMUIY-HKUYNNGSSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001023678129 1319792704 /nfs/dbraw/zinc/79/27/04/1319792704.db2.gz QCDGWTVXPOWQJT-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000962215867 1319861449 /nfs/dbraw/zinc/86/14/49/1319861449.db2.gz DZSMZQSBALFLOY-CUYAVPTFSA-N 2 0 349.563 3.029 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820809506 1319957699 /nfs/dbraw/zinc/95/76/99/1319957699.db2.gz CHGIHOOMHZFSOD-JAGQDSLRSA-N 2 0 328.500 3.465 20 0 EGADRP C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000820829203 1319964603 /nfs/dbraw/zinc/96/46/03/1319964603.db2.gz GMCXNRXMOZVZJS-FOIQADDNSA-N 2 0 330.447 3.446 20 0 EGADRP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C2 ZINC000820829941 1319964686 /nfs/dbraw/zinc/96/46/86/1319964686.db2.gz NPOZJQQULOZFLZ-KXBFYZLASA-N 2 0 340.467 3.411 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000821982885 1320045196 /nfs/dbraw/zinc/04/51/96/1320045196.db2.gz NLUGOZDHSQYELE-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CC[NH2+][C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000822659192 1320109434 /nfs/dbraw/zinc/10/94/34/1320109434.db2.gz MUHBAGFNECYIAU-YOEHRIQHSA-N 2 0 326.444 3.393 20 0 EGADRP Fc1ccccc1OCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000838894470 1320830485 /nfs/dbraw/zinc/83/04/85/1320830485.db2.gz GQDDNTQOJCBLHW-UHFFFAOYSA-N 2 0 329.419 3.248 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]1SC ZINC000838971084 1320845328 /nfs/dbraw/zinc/84/53/28/1320845328.db2.gz NVMHRTJBQGKXJV-ILEACXBISA-N 2 0 326.550 3.282 20 0 EGADRP C[C@](Cc1ccccc1)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000839681147 1320960395 /nfs/dbraw/zinc/96/03/95/1320960395.db2.gz PZJDFRRNEWITOP-FGZHOGPDSA-N 2 0 338.495 3.191 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000840001289 1321011985 /nfs/dbraw/zinc/01/19/85/1321011985.db2.gz ZBHICSLHAUMIGB-WOJBJXKFSA-N 2 0 347.547 3.035 20 0 EGADRP COc1ccc2nc(C[NH2+]Cc3ccc(CC[NH3+])cc3)sc2c1 ZINC000841033106 1321204067 /nfs/dbraw/zinc/20/40/67/1321204067.db2.gz KPKJLCZFBHBVQE-UHFFFAOYSA-N 2 0 327.453 3.096 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1C ZINC000841032673 1321204542 /nfs/dbraw/zinc/20/45/42/1321204542.db2.gz VOCNDPJVXADQNT-INIZCTEOSA-N 2 0 339.483 3.312 20 0 EGADRP COC(=O)c1ccc([C@@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859215042 1328947876 /nfs/dbraw/zinc/94/78/76/1328947876.db2.gz XNTYQKHXRKMUCR-CQSZACIVSA-N 2 0 330.428 3.321 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216063 1328949467 /nfs/dbraw/zinc/94/94/67/1328949467.db2.gz WZIDXADDGOBDAV-FXAWDEMLSA-N 2 0 345.531 3.360 20 0 EGADRP COc1ccc(OCc2nc(C[NH2+]C3CCC([NH3+])CC3)cs2)cc1 ZINC000843104206 1321470347 /nfs/dbraw/zinc/47/03/47/1321470347.db2.gz HLBDVAXATXSPFX-UHFFFAOYSA-N 2 0 347.484 3.090 20 0 EGADRP O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000843339712 1321501998 /nfs/dbraw/zinc/50/19/98/1321501998.db2.gz GNOODGMFOSPQQW-CSEOROSGSA-N 2 0 336.479 3.439 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000843342368 1321502048 /nfs/dbraw/zinc/50/20/48/1321502048.db2.gz LEJSLSUUSZWPDY-INIZCTEOSA-N 2 0 325.294 3.415 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000843342410 1321502618 /nfs/dbraw/zinc/50/26/18/1321502618.db2.gz QGNCFQYVTNUULG-QHAWAJNXSA-N 3 0 329.532 3.396 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843348279 1321503634 /nfs/dbraw/zinc/50/36/34/1321503634.db2.gz BBDQBCAWVDKNBQ-HUUCEWRRSA-N 2 0 325.456 3.226 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843352447 1321504033 /nfs/dbraw/zinc/50/40/33/1321504033.db2.gz GHUIOSIFWPZUPZ-MRXNPFEDSA-N 2 0 339.483 3.488 20 0 EGADRP C[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCC([NH3+])CC1 ZINC000843353818 1321504961 /nfs/dbraw/zinc/50/49/61/1321504961.db2.gz LOJMZOPWDORGSZ-UHFFFAOYSA-N 2 0 337.467 3.494 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1F ZINC000844188042 1321576885 /nfs/dbraw/zinc/57/68/85/1321576885.db2.gz MZHIDIBMCSYYQG-GOSISDBHSA-N 2 0 329.419 3.306 20 0 EGADRP [NH3+][C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000844189600 1321577228 /nfs/dbraw/zinc/57/72/28/1321577228.db2.gz QWAPCCXFSPWVCB-DAWZGUTISA-N 2 0 349.906 3.253 20 0 EGADRP C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C1CCC([NH3+])CC1 ZINC000844220882 1321580206 /nfs/dbraw/zinc/58/02/06/1321580206.db2.gz NVNJISOYDIVPHP-UHFFFAOYSA-N 2 0 327.259 3.343 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844701861 1321638031 /nfs/dbraw/zinc/63/80/31/1321638031.db2.gz ZWYLXWPDMQNXFE-UHFFFAOYSA-N 2 0 335.536 3.323 20 0 EGADRP CC(C)c1ccccc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000848528344 1321968908 /nfs/dbraw/zinc/96/89/08/1321968908.db2.gz KXNUTCLWTKCWKH-UHFFFAOYSA-N 2 0 338.499 3.247 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(F)(F)c1ccc(Cl)cc1 ZINC000849051055 1322058616 /nfs/dbraw/zinc/05/86/16/1322058616.db2.gz UKUYKLPQKPYTHR-AWEZNQCLSA-N 2 0 344.837 3.030 20 0 EGADRP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000849080689 1322069663 /nfs/dbraw/zinc/06/96/63/1322069663.db2.gz MONNFUGVXABLJK-HNNXBMFYSA-N 2 0 332.398 3.074 20 0 EGADRP CC(C)C[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[NH+](C)C ZINC000849083000 1322070695 /nfs/dbraw/zinc/07/06/95/1322070695.db2.gz IGRROAUGLARHAY-ZDUSSCGKSA-N 2 0 346.397 3.498 20 0 EGADRP COc1ccc(NC(=[NH2+])NCC2(C[NH+](C)C)CCCC2)cc1Cl ZINC000849084104 1322071830 /nfs/dbraw/zinc/07/18/30/1322071830.db2.gz XKHAQQFCAIQRLJ-UHFFFAOYSA-N 2 0 338.883 3.407 20 0 EGADRP [NH2+]=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000849085538 1322073368 /nfs/dbraw/zinc/07/33/68/1322073368.db2.gz RUBAGKFXEJOTHV-LJQANCHMSA-N 2 0 328.504 3.299 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000850423560 1322245608 /nfs/dbraw/zinc/24/56/08/1322245608.db2.gz BTNZEUIAWWUGSK-AOCRQIFASA-N 2 0 339.524 3.288 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C(=O)OC)cc2F)c1 ZINC000921687219 1322378689 /nfs/dbraw/zinc/37/86/89/1322378689.db2.gz ZKEXKDYIPTZERY-UHFFFAOYSA-N 2 0 344.430 3.354 20 0 EGADRP CN(C)C(=O)c1cccc(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000921735965 1322387009 /nfs/dbraw/zinc/38/70/09/1322387009.db2.gz CENPPOYUXAWHTP-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)c1 ZINC000922135257 1322463564 /nfs/dbraw/zinc/46/35/64/1322463564.db2.gz NPXBQFHXRUSVEN-UHFFFAOYSA-N 2 0 343.471 3.019 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923296004 1322728352 /nfs/dbraw/zinc/72/83/52/1322728352.db2.gz MSBNXZFNEQIAKN-HRAATJIYSA-N 2 0 339.483 3.118 20 0 EGADRP FC(F)(F)c1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312755 1322731165 /nfs/dbraw/zinc/73/11/65/1322731165.db2.gz PWTGOKKIFUBLMM-BBRMVZONSA-N 2 0 340.389 3.221 20 0 EGADRP O[C@@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923358295 1322739850 /nfs/dbraw/zinc/73/98/50/1322739850.db2.gz YDBNWRJQQCINHD-YADHBBJMSA-N 2 0 338.495 3.065 20 0 EGADRP O[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(F)cc1Cl ZINC000923391782 1322744148 /nfs/dbraw/zinc/74/41/48/1322744148.db2.gz ZDXZUWHHAOMOIN-KBXCAEBGSA-N 2 0 340.870 3.224 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923490008 1322760733 /nfs/dbraw/zinc/76/07/33/1322760733.db2.gz GTMNHEFITOWQHO-INIZCTEOSA-N 2 0 332.879 3.064 20 0 EGADRP CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923493035 1322761956 /nfs/dbraw/zinc/76/19/56/1322761956.db2.gz QERJFKCYSJOMGW-QAPCUYQASA-N 2 0 349.494 3.090 20 0 EGADRP FC(F)(F)[C@@H]1CC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)O1 ZINC000923506822 1322765631 /nfs/dbraw/zinc/76/56/31/1322765631.db2.gz MADCUIDUMYAVSD-IMJJTQAJSA-N 2 0 334.426 3.198 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924577185 1323060870 /nfs/dbraw/zinc/06/08/70/1323060870.db2.gz GOIAQACLJLBCRM-JXFKEZNVSA-N 2 0 349.494 3.103 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000924586259 1323064804 /nfs/dbraw/zinc/06/48/04/1323064804.db2.gz IUXFYXZEOITOKO-HXUWFJFHSA-N 2 0 344.499 3.100 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001023985485 1323064849 /nfs/dbraw/zinc/06/48/49/1323064849.db2.gz XALXEPATSOWFQC-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001023984728 1323065467 /nfs/dbraw/zinc/06/54/67/1323065467.db2.gz JKBNEPSMAWYFMQ-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001023987630 1323066633 /nfs/dbraw/zinc/06/66/33/1323066633.db2.gz UVEJTZSXHINBME-XBMUEBEBSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(-n2cnnc2)c1 ZINC000924680999 1323110114 /nfs/dbraw/zinc/11/01/14/1323110114.db2.gz JZRCHQXOISCNGM-GOSISDBHSA-N 2 0 341.503 3.430 20 0 EGADRP Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924779506 1323159264 /nfs/dbraw/zinc/15/92/64/1323159264.db2.gz QMBDFPLPLBGHSU-XLIONFOSSA-N 2 0 342.483 3.147 20 0 EGADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000924870703 1323193908 /nfs/dbraw/zinc/19/39/08/1323193908.db2.gz UGXZHPBQERUEQX-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924895229 1323203859 /nfs/dbraw/zinc/20/38/59/1323203859.db2.gz JYVFAXRXHRJPFB-CQSZACIVSA-N 2 0 343.437 3.426 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000924955263 1323227543 /nfs/dbraw/zinc/22/75/43/1323227543.db2.gz MUNGNIZDEYQAQL-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001024278244 1323256985 /nfs/dbraw/zinc/25/69/85/1323256985.db2.gz ICLMYBGEFCSSKL-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000925055299 1323259059 /nfs/dbraw/zinc/25/90/59/1323259059.db2.gz URSKCYQTEKIWBB-INIZCTEOSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)C1 ZINC000853061737 1323271731 /nfs/dbraw/zinc/27/17/31/1323271731.db2.gz FTMJSZVNJLIQOQ-DYESRHJHSA-N 2 0 339.483 3.137 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001024557566 1323496700 /nfs/dbraw/zinc/49/67/00/1323496700.db2.gz YIDAETUQINXCHB-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001024759520 1323660205 /nfs/dbraw/zinc/66/02/05/1323660205.db2.gz JJWMADJGRWZTKA-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811557 1323714524 /nfs/dbraw/zinc/71/45/24/1323714524.db2.gz UWSAADVITNDOAM-QFBILLFUSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024984890 1323813599 /nfs/dbraw/zinc/81/35/99/1323813599.db2.gz JRWBFTLPEOWECB-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001025038075 1323840907 /nfs/dbraw/zinc/84/09/07/1323840907.db2.gz QFRBDIWUXGBYID-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(-c2noc([C@H](C)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432723 1329115898 /nfs/dbraw/zinc/11/58/98/1329115898.db2.gz BLPIHTLUIGZXQS-CWRNSKLLSA-N 2 0 344.434 3.129 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)[NH+](C)C ZINC001025073552 1323874743 /nfs/dbraw/zinc/87/47/43/1323874743.db2.gz KZTIZLIGOTZXAO-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265011 1324077757 /nfs/dbraw/zinc/07/77/57/1324077757.db2.gz CUBYWVNLVMXXQE-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CC1 ZINC001025301717 1324135128 /nfs/dbraw/zinc/13/51/28/1324135128.db2.gz OOCRCHVHGNQCCZ-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450895 1324293317 /nfs/dbraw/zinc/29/33/17/1324293317.db2.gz CDYDTBQFXJKRTF-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474027 1324319394 /nfs/dbraw/zinc/31/93/94/1324319394.db2.gz IHWKIUUAEWXNPU-SJLPKXTDSA-N 2 0 340.471 3.131 20 0 EGADRP CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026548040 1324885298 /nfs/dbraw/zinc/88/52/98/1324885298.db2.gz MMBABIPWICXBTH-FAFZWHIHSA-N 2 0 335.536 3.211 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC001026560819 1324896198 /nfs/dbraw/zinc/89/61/98/1324896198.db2.gz FZGIXSPLQXVLKF-KKXNLOMOSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026591274 1324917586 /nfs/dbraw/zinc/91/75/86/1324917586.db2.gz YFBSPZJVTJNDCI-SOAGJPPSSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H]1COC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925131840 1325057843 /nfs/dbraw/zinc/05/78/43/1325057843.db2.gz DPXPBNZJANVNCS-OXJNMPFZSA-N 2 0 328.456 3.426 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360727 1325157608 /nfs/dbraw/zinc/15/76/08/1325157608.db2.gz OJELIGNURYNHKK-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925457405 1325159581 /nfs/dbraw/zinc/15/95/81/1325159581.db2.gz TZSAPYSWDAGXJB-FZKQIMNGSA-N 2 0 334.410 3.411 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)c1 ZINC000925477678 1325167185 /nfs/dbraw/zinc/16/71/85/1325167185.db2.gz LIACPNRYJKHAEH-IOMROCGXSA-N 2 0 343.515 3.032 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1 ZINC000925506137 1325182583 /nfs/dbraw/zinc/18/25/83/1325182583.db2.gz WDBKNSBXQVUZNL-FXAWDEMLSA-N 2 0 330.447 3.047 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383129 1325183716 /nfs/dbraw/zinc/18/37/16/1325183716.db2.gz MFEUQXLFLAAMLO-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925532485 1325194268 /nfs/dbraw/zinc/19/42/68/1325194268.db2.gz GVEYCDOJQHBEHQ-NHCUHLMSSA-N 2 0 338.499 3.189 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925554898 1325205944 /nfs/dbraw/zinc/20/59/44/1325205944.db2.gz FALHSQITPDCHOX-BWPNAZKDSA-N 2 0 327.516 3.017 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027103901 1325228365 /nfs/dbraw/zinc/22/83/65/1325228365.db2.gz IFPYNWYWXLPGSO-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426457 1325234038 /nfs/dbraw/zinc/23/40/38/1325234038.db2.gz AXDHYZPRSBZACP-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925631777 1325239725 /nfs/dbraw/zinc/23/97/25/1325239725.db2.gz KBVZEKCAFCYFRK-WJFTUGDTSA-N 2 0 349.469 3.348 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1 ZINC000925642467 1325245242 /nfs/dbraw/zinc/24/52/42/1325245242.db2.gz TUTHMABXSNGAQC-KBWCOIMZSA-N 2 0 339.483 3.282 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925671095 1325257490 /nfs/dbraw/zinc/25/74/90/1325257490.db2.gz QMCSWXVROFZIFV-FOIQADDNSA-N 2 0 330.447 3.142 20 0 EGADRP COc1cccc([C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)OC)c1 ZINC000925719717 1325269362 /nfs/dbraw/zinc/26/93/62/1325269362.db2.gz BZXFLRFHDOGZOS-WOJBJXKFSA-N 2 0 328.456 3.453 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000925730636 1325273714 /nfs/dbraw/zinc/27/37/14/1325273714.db2.gz PLOHMPRHSHFRAU-MOPGFXCFSA-N 2 0 332.875 3.313 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000963907723 1325430788 /nfs/dbraw/zinc/43/07/88/1325430788.db2.gz JVBYTFJKYVEKJM-QHGAOEGBSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000926157782 1325451704 /nfs/dbraw/zinc/45/17/04/1325451704.db2.gz WQYFNJYFRCGOEH-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926172277 1325456618 /nfs/dbraw/zinc/45/66/18/1325456618.db2.gz TYXWGCQVUYQASO-BEFAXECRSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C2CCC(O)(c3cccnc3)CC2)CC1 ZINC000926205352 1325470012 /nfs/dbraw/zinc/47/00/12/1325470012.db2.gz ZVTRNPSQOGNXSB-UHFFFAOYSA-N 2 0 345.531 3.312 20 0 EGADRP C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926288742 1325505091 /nfs/dbraw/zinc/50/50/91/1325505091.db2.gz YOBHYZHTBYANSD-IRXDYDNUSA-N 2 0 334.504 3.066 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857120952 1325576063 /nfs/dbraw/zinc/57/60/63/1325576063.db2.gz QIIRYTAIXWTQLZ-PMACEKPBSA-N 2 0 343.515 3.100 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027432682 1327671895 /nfs/dbraw/zinc/67/18/95/1327671895.db2.gz HZTBIDYLPMRWNM-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CNC(=O)CC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC000926720696 1327682467 /nfs/dbraw/zinc/68/24/67/1327682467.db2.gz CMROUJZUEGBHAF-QGZVFWFLSA-N 2 0 345.531 3.485 20 0 EGADRP C[N@H+](CCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442673 1327682830 /nfs/dbraw/zinc/68/28/30/1327682830.db2.gz DUAUUSPBKRHOTL-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001027444542 1327684343 /nfs/dbraw/zinc/68/43/43/1327684343.db2.gz SSUYJRGDZGOENP-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027521034 1327792333 /nfs/dbraw/zinc/79/23/33/1327792333.db2.gz VWLVRFDYCBEVNY-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027581923 1327915655 /nfs/dbraw/zinc/91/56/55/1327915655.db2.gz IHCQWIVMVUIKAR-PMACEKPBSA-N 2 0 345.531 3.012 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001027602195 1327954365 /nfs/dbraw/zinc/95/43/65/1327954365.db2.gz NFPMAEHSZJJBMT-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681939 1328080104 /nfs/dbraw/zinc/08/01/04/1328080104.db2.gz GBDMQIREXGCRMI-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027919218 1328396352 /nfs/dbraw/zinc/39/63/52/1328396352.db2.gz UKMFKXYLYJXTQG-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001027927781 1328405584 /nfs/dbraw/zinc/40/55/84/1328405584.db2.gz CVCJDRNFRCKDID-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929875 1328408789 /nfs/dbraw/zinc/40/87/89/1328408789.db2.gz KNQMZQHEVMVOKS-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CC[NH2+][C@@H](C)c1nc(-c2ccccc2OCC[NH+](CC)CC)no1 ZINC000863669381 1329572898 /nfs/dbraw/zinc/57/28/98/1329572898.db2.gz WVLZMRZHSNEJLU-AWEZNQCLSA-N 2 0 332.448 3.128 20 0 EGADRP Cc1nc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)no1 ZINC000931934474 1329772414 /nfs/dbraw/zinc/77/24/14/1329772414.db2.gz DQANAXQUUPAYOY-IBGZPJMESA-N 2 0 340.471 3.353 20 0 EGADRP c1cc2n(c1)CC[NH+](CCCCCC[N@@H+]1CCn3cccc3C1)C2 ZINC000932529023 1329820365 /nfs/dbraw/zinc/82/03/65/1329820365.db2.gz VVLOZPRIIQHLDL-UHFFFAOYSA-N 2 0 326.488 3.181 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@H]1C ZINC000933368100 1329883483 /nfs/dbraw/zinc/88/34/83/1329883483.db2.gz IPRPOENIYVGNKF-SJORKVTESA-N 2 0 347.503 3.210 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000933455189 1329890717 /nfs/dbraw/zinc/89/07/17/1329890717.db2.gz DCAMTCZURZERPB-JZXOWHBKSA-N 2 0 349.544 3.120 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000866088712 1330064475 /nfs/dbraw/zinc/06/44/75/1330064475.db2.gz AELSAAINPIHJDX-UHFFFAOYSA-N 2 0 346.519 3.380 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000935662550 1330069176 /nfs/dbraw/zinc/06/91/76/1330069176.db2.gz HBABGZRFJFJUBN-KRWDZBQOSA-N 2 0 345.487 3.012 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CCC([NH+]3CCN(C)CC3)CC2)c1C ZINC000866212566 1330079469 /nfs/dbraw/zinc/07/94/69/1330079469.db2.gz LSEGBURYCKCAOH-UHFFFAOYSA-N 2 0 338.499 3.068 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866466977 1330116040 /nfs/dbraw/zinc/11/60/40/1330116040.db2.gz QGYFMUKGXBLUBK-QAETUUGQSA-N 2 0 339.524 3.142 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000866666271 1330139551 /nfs/dbraw/zinc/13/95/51/1330139551.db2.gz PAMMBAIQSPANGQ-MJGOQNOKSA-N 2 0 329.488 3.034 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)CC1(C)C ZINC000940625179 1331131067 /nfs/dbraw/zinc/13/10/67/1331131067.db2.gz PJXUXMYJIPICEH-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780189 1331191226 /nfs/dbraw/zinc/19/12/26/1331191226.db2.gz LEYSEDFFABTVKJ-HNNXBMFYSA-N 2 0 337.533 3.050 20 0 EGADRP C[C@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942101717 1331830298 /nfs/dbraw/zinc/83/02/98/1331830298.db2.gz SPVSKFBGGWRSFQ-YOEHRIQHSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821367 1332042308 /nfs/dbraw/zinc/04/23/08/1332042308.db2.gz DVKHPHGVARVRCN-MJGOQNOKSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089054 1332496766 /nfs/dbraw/zinc/49/67/66/1332496766.db2.gz DSXBNMBUUIJQRJ-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946615559 1332863181 /nfs/dbraw/zinc/86/31/81/1332863181.db2.gz NYEIHQUCBIVDCN-ZRNYENFQSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904571 1332929126 /nfs/dbraw/zinc/92/91/26/1332929126.db2.gz JZKRCOKOJIKFFY-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1)[NH+]1CCCCC1 ZINC000946904463 1332929328 /nfs/dbraw/zinc/92/93/28/1332929328.db2.gz HGAGNRMTTYRLOJ-ZCNNSNEGSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC000947361602 1333103430 /nfs/dbraw/zinc/10/34/30/1333103430.db2.gz PXCCMBOQOUKMNB-WMLDXEAASA-N 2 0 349.544 3.193 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC000947615265 1333193396 /nfs/dbraw/zinc/19/33/96/1333193396.db2.gz GZNZSMDEYIUHKO-MJGOQNOKSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722003 1333240570 /nfs/dbraw/zinc/24/05/70/1333240570.db2.gz CRBSAJZATDGOAS-XLIONFOSSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC(C)(C)C ZINC000947776062 1333258257 /nfs/dbraw/zinc/25/82/57/1333258257.db2.gz TVMSRKKGZGOULU-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCCCCC1 ZINC000948040830 1333350181 /nfs/dbraw/zinc/35/01/81/1333350181.db2.gz UKLGVSCYBMQLTG-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000948245213 1333439659 /nfs/dbraw/zinc/43/96/59/1333439659.db2.gz NFEPGKHGFKWMMF-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948436011 1333523519 /nfs/dbraw/zinc/52/35/19/1333523519.db2.gz RSQKNKHKFNFEBL-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948439305 1333525371 /nfs/dbraw/zinc/52/53/71/1333525371.db2.gz MHHXEWPYIFIVAI-QUCCMNQESA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553574 1333572294 /nfs/dbraw/zinc/57/22/94/1333572294.db2.gz ITXNIVRWGGBUEH-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948575138 1333583400 /nfs/dbraw/zinc/58/34/00/1333583400.db2.gz QIPVAODZYGTEOY-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591484 1333588092 /nfs/dbraw/zinc/58/80/92/1333588092.db2.gz YFITXYRSKYFGCD-WMZOPIPTSA-N 2 0 342.487 3.307 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621471 1333600491 /nfs/dbraw/zinc/60/04/91/1333600491.db2.gz QOLXMJMISZRTFN-IAGOWNOFSA-N 2 0 346.450 3.009 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948673564 1333623142 /nfs/dbraw/zinc/62/31/42/1333623142.db2.gz BXSAESFJYLGYNU-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000948674242 1333623918 /nfs/dbraw/zinc/62/39/18/1333623918.db2.gz SFTZHMMQFDHVBG-ACBHZAAOSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726483 1333649004 /nfs/dbraw/zinc/64/90/04/1333649004.db2.gz SCNBJWDIZYLXGP-GOSISDBHSA-N 2 0 347.503 3.234 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000948755686 1333663607 /nfs/dbraw/zinc/66/36/07/1333663607.db2.gz ILZGNEOAVKKVOW-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CCC2CCCC2)CC1 ZINC000948760107 1333665323 /nfs/dbraw/zinc/66/53/23/1333665323.db2.gz SUMGWURNYYIHLI-FQEVSTJZSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767560 1333670589 /nfs/dbraw/zinc/67/05/89/1333670589.db2.gz YGBABVMJAKFWKS-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CCC2CCCCC2)C1 ZINC000950063080 1334005992 /nfs/dbraw/zinc/00/59/92/1334005992.db2.gz DBPAONPEPDGUPW-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CCCCCC2)C1 ZINC000950469734 1334076683 /nfs/dbraw/zinc/07/66/83/1334076683.db2.gz PYFUDEZKHFUZIC-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC000951212197 1334209370 /nfs/dbraw/zinc/20/93/70/1334209370.db2.gz HVOCPULECCCLSF-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[NH+](CC[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000952394348 1334445845 /nfs/dbraw/zinc/44/58/45/1334445845.db2.gz YASWHWCSLRUELW-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000967398729 1335726169 /nfs/dbraw/zinc/72/61/69/1335726169.db2.gz ZYJRZWQFDZIFOG-YJBOKZPZSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCCCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968192268 1335868458 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0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680837 1336236452 /nfs/dbraw/zinc/23/64/52/1336236452.db2.gz OZORZJJEECKOLQ-QZTJIDSGSA-N 2 0 347.547 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969794521 1336247956 /nfs/dbraw/zinc/24/79/56/1336247956.db2.gz WPDRRCHLIRKZBE-PXNSSMCTSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969969660 1336267842 /nfs/dbraw/zinc/26/78/42/1336267842.db2.gz PDQLICWRNLDSET-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000970029163 1336273031 /nfs/dbraw/zinc/27/30/31/1336273031.db2.gz XUNILWIIEYUSNC-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970028643 1336273049 /nfs/dbraw/zinc/27/30/49/1336273049.db2.gz WGNUDGKCZHKTJO-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503134 1336363317 /nfs/dbraw/zinc/36/33/17/1336363317.db2.gz IFABQWFXJMHQJE-IEBWSBKVSA-N 2 0 337.552 3.218 20 0 EGADRP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005533840 1336369064 /nfs/dbraw/zinc/36/90/64/1336369064.db2.gz RLMYYSDNVCMNJU-QZTJIDSGSA-N 2 0 344.503 3.016 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006398817 1336499471 /nfs/dbraw/zinc/49/94/71/1336499471.db2.gz GBLPBOZIVVHAGV-ICSRJNTNSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006441244 1336506577 /nfs/dbraw/zinc/50/65/77/1336506577.db2.gz CNKWBUQPGHZTER-QZTJIDSGSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCc1cccc(Br)c1 ZINC001205903000 1370905821 /nfs/dbraw/zinc/90/58/21/1370905821.db2.gz MKJLTUQBOHNVDF-DZGCQCFKSA-N 2 0 325.294 3.441 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001007649652 1336684253 /nfs/dbraw/zinc/68/42/53/1336684253.db2.gz WMPMHPFBKBRVEY-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751453 1336694770 /nfs/dbraw/zinc/69/47/70/1336694770.db2.gz ZMPCUMUFVWAHLZ-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751448 1336694812 /nfs/dbraw/zinc/69/48/12/1336694812.db2.gz ZMPCUMUFVWAHLZ-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001008277211 1336812708 /nfs/dbraw/zinc/81/27/08/1336812708.db2.gz MWTHRVZBORRCBA-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001008278749 1336813155 /nfs/dbraw/zinc/81/31/55/1336813155.db2.gz PXTFUINQEAVADT-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001008297760 1336817976 /nfs/dbraw/zinc/81/79/76/1336817976.db2.gz FUTBWZUSNVLWDG-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001008763773 1336922539 /nfs/dbraw/zinc/92/25/39/1336922539.db2.gz ANXRLFKQTCSWSN-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001009170208 1336980803 /nfs/dbraw/zinc/98/08/03/1336980803.db2.gz RCKWBUMIFSBDMD-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014415568 1337771672 /nfs/dbraw/zinc/77/16/72/1337771672.db2.gz VMLOZZKVMFBHNC-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014633881 1337854240 /nfs/dbraw/zinc/85/42/40/1337854240.db2.gz UMEIGDSLTYZTOJ-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001014705364 1337876122 /nfs/dbraw/zinc/87/61/22/1337876122.db2.gz OWAOVDFHYCOCAA-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014721159 1337883100 /nfs/dbraw/zinc/88/31/00/1337883100.db2.gz IJGAYPFXEMNSSC-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001015035041 1337997237 /nfs/dbraw/zinc/99/72/37/1337997237.db2.gz XZNDTDPNSXHBLL-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015392742 1338122396 /nfs/dbraw/zinc/12/23/96/1338122396.db2.gz PLUZAXHKKQNKCT-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001015596340 1338200077 /nfs/dbraw/zinc/20/00/77/1338200077.db2.gz AZJWIZLSUXDVFZ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603789 1338204631 /nfs/dbraw/zinc/20/46/31/1338204631.db2.gz YIXYAIQHIAFTFJ-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015793593 1338313199 /nfs/dbraw/zinc/31/31/99/1338313199.db2.gz AOIHWNKEZMMUSC-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015974111 1338387729 /nfs/dbraw/zinc/38/77/29/1338387729.db2.gz YYSQATKUWDUOPW-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)C1CCC(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001016260804 1338526313 /nfs/dbraw/zinc/52/63/13/1338526313.db2.gz HQBPEBFOYWHFQQ-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016661589 1338682483 /nfs/dbraw/zinc/68/24/83/1338682483.db2.gz GOMINQGNTXNKMC-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016689250 1338691186 /nfs/dbraw/zinc/69/11/86/1338691186.db2.gz XKPOYLVAEIWSDK-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2)[NH+]1CCCCCC1 ZINC001016861665 1338750909 /nfs/dbraw/zinc/75/09/09/1338750909.db2.gz OWYXMKGCSOQPGB-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862392 1338751487 /nfs/dbraw/zinc/75/14/87/1338751487.db2.gz XVBLUNMSJYCVNQ-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016923832 1338771627 /nfs/dbraw/zinc/77/16/27/1338771627.db2.gz NHUFCHDEWZXELW-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924162 1338771805 /nfs/dbraw/zinc/77/18/05/1338771805.db2.gz RKLBXEVNHZTCFZ-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016984986 1338792826 /nfs/dbraw/zinc/79/28/26/1338792826.db2.gz HSHOAIPKSPHXOV-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC23CC[NH+](C(C)C)CC3)o1 ZINC001016993977 1338797372 /nfs/dbraw/zinc/79/73/72/1338797372.db2.gz RNZYGTQXMMBQLF-GOSISDBHSA-N 2 0 347.503 3.114 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2C)C1)[NH+](C)C ZINC001017155659 1338906299 /nfs/dbraw/zinc/90/62/99/1338906299.db2.gz ZVMYULBXNUJOQD-AZUAARDMSA-N 2 0 345.531 3.006 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001017246064 1338976851 /nfs/dbraw/zinc/97/68/51/1338976851.db2.gz LWDDCQMFGQLKSJ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017616460 1339377377 /nfs/dbraw/zinc/37/73/77/1339377377.db2.gz BGNRFEVZWFAGFI-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001028088679 1340418171 /nfs/dbraw/zinc/41/81/71/1340418171.db2.gz NQAIJSDGFHBACP-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001028089379 1340418996 /nfs/dbraw/zinc/41/89/96/1340418996.db2.gz ZXHFUPUTJFNJAP-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001028089307 1340419146 /nfs/dbraw/zinc/41/91/46/1340419146.db2.gz YGYWQLICDQSNLU-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001028180525 1340471074 /nfs/dbraw/zinc/47/10/74/1340471074.db2.gz BTSVUCUFUXZAKE-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001028180527 1340471288 /nfs/dbraw/zinc/47/12/88/1340471288.db2.gz BTSVUCUFUXZAKE-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001028252651 1340512471 /nfs/dbraw/zinc/51/24/71/1340512471.db2.gz ZZJXUULGZNKFOE-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC=C(C)C)o1 ZINC001028342819 1340582586 /nfs/dbraw/zinc/58/25/86/1340582586.db2.gz HCRVTHGEPWHLBA-QGZVFWFLSA-N 2 0 347.503 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028537959 1340694095 /nfs/dbraw/zinc/69/40/95/1340694095.db2.gz WKAKSIGQCQDAJR-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028580384 1340713485 /nfs/dbraw/zinc/71/34/85/1340713485.db2.gz VOLAWAGEJDFLDE-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028580385 1340713677 /nfs/dbraw/zinc/71/36/77/1340713677.db2.gz VOLAWAGEJDFLDE-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001028636279 1340737352 /nfs/dbraw/zinc/73/73/52/1340737352.db2.gz NQYVLJMNJXSFPZ-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692921 1340761576 /nfs/dbraw/zinc/76/15/76/1340761576.db2.gz DRCQSLJOTBEASQ-DLBZAZTESA-N 2 0 348.450 3.147 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001028762375 1340797882 /nfs/dbraw/zinc/79/78/82/1340797882.db2.gz KWFJJAOEUOGHBX-SXLOBPIMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028845141 1340855840 /nfs/dbraw/zinc/85/58/40/1340855840.db2.gz GXSZNTGRPBUODX-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001029111685 1340932695 /nfs/dbraw/zinc/93/26/95/1340932695.db2.gz MSFLQAPGVBPHLM-QFBILLFUSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029114284 1340933305 /nfs/dbraw/zinc/93/33/05/1340933305.db2.gz WXUURFSUTIOZBT-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001029144689 1340942289 /nfs/dbraw/zinc/94/22/89/1340942289.db2.gz MSFLQAPGVBPHLM-LPHOPBHVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001029172555 1340948595 /nfs/dbraw/zinc/94/85/95/1340948595.db2.gz FXBTZLYYNSSGMJ-JLAWEPINSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCCC2)CCC1 ZINC001029337243 1340973749 /nfs/dbraw/zinc/97/37/49/1340973749.db2.gz MMKXOMXVBDVCOK-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1)C1CCC1 ZINC001029340017 1340974092 /nfs/dbraw/zinc/97/40/92/1340974092.db2.gz VUYLXUDFONIMNH-BGYRXZFFSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1C)[NH+](C)C ZINC001029357363 1340976873 /nfs/dbraw/zinc/97/68/73/1340976873.db2.gz GDASYSCWFTZTKA-FTEYMNFISA-N 2 0 343.515 3.071 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001029474034 1340998205 /nfs/dbraw/zinc/99/82/05/1340998205.db2.gz FIZQLLMBRHQEKY-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001029478702 1340998381 /nfs/dbraw/zinc/99/83/81/1340998381.db2.gz XIJYOSSSCGODML-OTWHNJEPSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001029550196 1341010768 /nfs/dbraw/zinc/01/07/68/1341010768.db2.gz DHSKIVYWUFZOGT-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001029742085 1341059966 /nfs/dbraw/zinc/05/99/66/1341059966.db2.gz KVUGGHPWRGRPAD-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029751556 1341063810 /nfs/dbraw/zinc/06/38/10/1341063810.db2.gz XHNKJJFEGLFNEU-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1)C1CC1 ZINC001029969925 1341138936 /nfs/dbraw/zinc/13/89/36/1341138936.db2.gz DANJGXUZHIMECR-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001029970242 1341139037 /nfs/dbraw/zinc/13/90/37/1341139037.db2.gz QTSMFMWYKMCXOX-UHFFFAOYSA-N 2 0 344.503 3.013 20 0 EGADRP CC1CC(C[N@H+](C)CC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001030014559 1341158358 /nfs/dbraw/zinc/15/83/58/1341158358.db2.gz AISBEKDKNGWTRM-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CC1CCCC1)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001030014603 1341158432 /nfs/dbraw/zinc/15/84/32/1341158432.db2.gz CYXKNTMRLBWZBP-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030020544 1341159863 /nfs/dbraw/zinc/15/98/63/1341159863.db2.gz JZMCEPFJSGOVBL-HBFSDRIKSA-N 2 0 343.515 3.121 20 0 EGADRP CCC(CC)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001030831739 1341232731 /nfs/dbraw/zinc/23/27/31/1341232731.db2.gz OZQMQMOMCXOTMA-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031660282 1341384068 /nfs/dbraw/zinc/38/40/68/1341384068.db2.gz GRKZRRLPSRUDPL-WOJBJXKFSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072886267 1355485199 /nfs/dbraw/zinc/48/51/99/1355485199.db2.gz MQYYRMLKSSYDPL-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001032119585 1341458639 /nfs/dbraw/zinc/45/86/39/1341458639.db2.gz VQSMADZEAVRQNI-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001032128377 1341459880 /nfs/dbraw/zinc/45/98/80/1341459880.db2.gz BVZRCORUIWUDRU-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001032129303 1341460194 /nfs/dbraw/zinc/46/01/94/1341460194.db2.gz VBUOUYRRELNTFM-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032432767 1341510889 /nfs/dbraw/zinc/51/08/89/1341510889.db2.gz ANTYRFHKLIOZJG-UFYCRDLUSA-N 2 0 345.531 3.036 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)C)o1 ZINC001032812922 1341624640 /nfs/dbraw/zinc/62/46/40/1341624640.db2.gz UIHXFSYOLHXCEP-IRXDYDNUSA-N 2 0 347.503 3.066 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033143540 1341738238 /nfs/dbraw/zinc/73/82/38/1341738238.db2.gz HMMOJCLSDQQFDK-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033319448 1341779935 /nfs/dbraw/zinc/77/99/35/1341779935.db2.gz QABPBEZGRUZDJD-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033350361 1341791648 /nfs/dbraw/zinc/79/16/48/1341791648.db2.gz AGOPPUQMPHIRJR-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(CC)CC)C2)C1 ZINC001033353003 1341793351 /nfs/dbraw/zinc/79/33/51/1341793351.db2.gz CHTSOANVYGLIST-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033422662 1341821534 /nfs/dbraw/zinc/82/15/34/1341821534.db2.gz HXHPZJSZPIBGMC-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033470887 1341839397 /nfs/dbraw/zinc/83/93/97/1341839397.db2.gz FOWCLDNMQLYCGF-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001033549598 1341867129 /nfs/dbraw/zinc/86/71/29/1341867129.db2.gz CKUTZEJXKJWRPD-SFHVURJKSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3cccc(Br)c3)C[C@@H]2C1 ZINC001208822489 1371907567 /nfs/dbraw/zinc/90/75/67/1371907567.db2.gz MNUFOFQHIVVYAF-CVEARBPZSA-N 2 0 337.305 3.265 20 0 EGADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033883552 1342058116 /nfs/dbraw/zinc/05/81/16/1342058116.db2.gz PYVBCFFGBYVKDI-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC001033988384 1342132808 /nfs/dbraw/zinc/13/28/08/1342132808.db2.gz DNVDIHGOKDIWLG-LPHOPBHVSA-N 2 0 349.494 3.033 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001034046738 1342186024 /nfs/dbraw/zinc/18/60/24/1342186024.db2.gz VABCTIMGQLHLDF-VQIMIIECSA-N 2 0 349.494 3.033 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046219 1342186551 /nfs/dbraw/zinc/18/65/51/1342186551.db2.gz QSZLEABBPQUBFC-RTBURBONSA-N 2 0 349.494 3.033 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050607 1342191997 /nfs/dbraw/zinc/19/19/97/1342191997.db2.gz NTIKEBJTBJDMSY-QGZVFWFLSA-N 2 0 349.519 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034248437 1342345568 /nfs/dbraw/zinc/34/55/68/1342345568.db2.gz CEGZTSIGZXTYBL-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251024 1342347481 /nfs/dbraw/zinc/34/74/81/1342347481.db2.gz UZJCDQUDMVUJTE-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCCC[N@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001034284263 1342372576 /nfs/dbraw/zinc/37/25/76/1342372576.db2.gz IJXGDHRZIZFJRC-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034287969 1342375168 /nfs/dbraw/zinc/37/51/68/1342375168.db2.gz JRMSDCAFYJGCKJ-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CCC(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001034386598 1342454696 /nfs/dbraw/zinc/45/46/96/1342454696.db2.gz SXNVFDGDKZDLCZ-QLOJAFMTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001034437673 1342500027 /nfs/dbraw/zinc/50/00/27/1342500027.db2.gz IBACOWOHCGJHCI-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034537873 1342595477 /nfs/dbraw/zinc/59/54/77/1342595477.db2.gz GGDUBQGZAXDZMO-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542860 1342602380 /nfs/dbraw/zinc/60/23/80/1342602380.db2.gz BPMFSQSMTXQWSY-FUHWJXTLSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544969 1342605920 /nfs/dbraw/zinc/60/59/20/1342605920.db2.gz WROOLLIROGDNRI-QZTJIDSGSA-N 2 0 349.494 3.081 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001034675095 1342686612 /nfs/dbraw/zinc/68/66/12/1342686612.db2.gz NWYGWMXAQIBUKB-MUGJNUQGSA-N 2 0 347.547 3.211 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)C1 ZINC001034736261 1342728955 /nfs/dbraw/zinc/72/89/55/1342728955.db2.gz UYVVYUGFBPQGSJ-WGSAOQKQSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)CC1 ZINC001034747479 1342735477 /nfs/dbraw/zinc/73/54/77/1342735477.db2.gz DFZXRBUYQUKTBS-MXVIHJGJSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034776414 1342753787 /nfs/dbraw/zinc/75/37/87/1342753787.db2.gz SGXWLEHPVMKTCX-MUGJNUQGSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)C1CCC1 ZINC001034957873 1342852868 /nfs/dbraw/zinc/85/28/68/1342852868.db2.gz NMVRTUAYMJANQT-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001035011257 1342874978 /nfs/dbraw/zinc/87/49/78/1342874978.db2.gz UQLYMOZLKSSXAG-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001035070082 1342910960 /nfs/dbraw/zinc/91/09/60/1342910960.db2.gz HHUROKVCQMTDHF-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035705226 1343143254 /nfs/dbraw/zinc/14/32/54/1343143254.db2.gz ZJVQAXSBSYUZTJ-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035721136 1343151821 /nfs/dbraw/zinc/15/18/21/1343151821.db2.gz QLTFEYFEHPCPPE-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035737007 1343161558 /nfs/dbraw/zinc/16/15/58/1343161558.db2.gz NSROPHZVRSSFLB-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036139229 1343324406 /nfs/dbraw/zinc/32/44/06/1343324406.db2.gz XOUGDZNTFGSNJJ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036409212 1343470030 /nfs/dbraw/zinc/47/00/30/1343470030.db2.gz HBRHCGJCSXOVHZ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036412746 1343471741 /nfs/dbraw/zinc/47/17/41/1343471741.db2.gz LYYCPKCTBLTJCL-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001036450332 1343494593 /nfs/dbraw/zinc/49/45/93/1343494593.db2.gz KMWMKKNENSUMEX-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755270 1343677584 /nfs/dbraw/zinc/67/75/84/1343677584.db2.gz TWJCGUNLUJGBKA-PKOBYXMFSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCC2)cc1 ZINC001037091605 1343973986 /nfs/dbraw/zinc/97/39/86/1343973986.db2.gz HDQBPBKWIHAUFZ-WOJBJXKFSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1[NH2+]C(C)C ZINC001037854430 1344140347 /nfs/dbraw/zinc/14/03/47/1344140347.db2.gz XMQWGYDZUSCVFP-GOEBONIOSA-N 2 0 337.533 3.048 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038340389 1344386620 /nfs/dbraw/zinc/38/66/20/1344386620.db2.gz NCLNVZOANMLFHI-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520948 1344464477 /nfs/dbraw/zinc/46/44/77/1344464477.db2.gz TXBYPNGDODEBDO-LJQANCHMSA-N 2 0 340.471 3.109 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCC2)o1 ZINC001039071578 1344754387 /nfs/dbraw/zinc/75/43/87/1344754387.db2.gz AUQGZTKJABROJE-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167152 1344852681 /nfs/dbraw/zinc/85/26/81/1344852681.db2.gz MZBULMWBQQLEKV-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001039709742 1345166387 /nfs/dbraw/zinc/16/63/87/1345166387.db2.gz DVXKTQSSTGPQFN-KDURUIRLSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001040014977 1345288231 /nfs/dbraw/zinc/28/82/31/1345288231.db2.gz VJBGWHPHMFMTGP-QGFMHUBQSA-N 2 0 349.563 3.361 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241640 1345391314 /nfs/dbraw/zinc/39/13/14/1345391314.db2.gz QKPBLNRMLPHJQW-FPOVZHCZSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040242183 1345392460 /nfs/dbraw/zinc/39/24/60/1345392460.db2.gz WZDQBKNGQCKJDC-TZIWHRDSSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275152 1345407517 /nfs/dbraw/zinc/40/75/17/1345407517.db2.gz JADCASWQXQFYJC-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)[NH+](C)C ZINC001040398959 1345476371 /nfs/dbraw/zinc/47/63/71/1345476371.db2.gz MRKNLXXSDFIVDX-FXAWDEMLSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001040852604 1345588384 /nfs/dbraw/zinc/58/83/84/1345588384.db2.gz AYRZMYVPPSYNBN-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882326 1345593703 /nfs/dbraw/zinc/59/37/03/1345593703.db2.gz CSISOYVSWUSHIO-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726441 1345833599 /nfs/dbraw/zinc/83/35/99/1345833599.db2.gz YLSHUBNMGJJAFF-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845931 1345871719 /nfs/dbraw/zinc/87/17/19/1345871719.db2.gz SJVNWCNKUOKIJT-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2C[NH+](CC3CCCCCC3)C2)C1 ZINC001042910687 1346124647 /nfs/dbraw/zinc/12/46/47/1346124647.db2.gz DYACNJHXELANTL-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001043886510 1346218297 /nfs/dbraw/zinc/21/82/97/1346218297.db2.gz WLZOQPPDOOMSCR-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044184282 1346268239 /nfs/dbraw/zinc/26/82/39/1346268239.db2.gz ZXLYENRLWIUFDK-MOPGFXCFSA-N 2 0 347.547 3.140 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045037236 1346484088 /nfs/dbraw/zinc/48/40/88/1346484088.db2.gz JWUXWGLTWBPRHX-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045475801 1346603185 /nfs/dbraw/zinc/60/31/85/1346603185.db2.gz RAGCHAQWEOIFSR-MSOLQXFVSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045797355 1346701021 /nfs/dbraw/zinc/70/10/21/1346701021.db2.gz CQPYJYSPXMWMKN-AQNXPRMDSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045943903 1346779031 /nfs/dbraw/zinc/77/90/31/1346779031.db2.gz RGQAIZDURBOSRI-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974053 1346810305 /nfs/dbraw/zinc/81/03/05/1346810305.db2.gz XCSRWLYRUWWXJX-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986119 1346826534 /nfs/dbraw/zinc/82/65/34/1346826534.db2.gz HJHISIYRVZARLH-NRFANRHFSA-N 2 0 349.563 3.367 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046705730 1347068419 /nfs/dbraw/zinc/06/84/19/1347068419.db2.gz DGSXGVCWQAIBTL-OAQYLSRUSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047240942 1347266990 /nfs/dbraw/zinc/26/69/90/1347266990.db2.gz LVGOWAOEUWUDCC-PMACEKPBSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047245140 1347270455 /nfs/dbraw/zinc/27/04/55/1347270455.db2.gz XRRXXEUGMRTFMY-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001047256817 1347280188 /nfs/dbraw/zinc/28/01/88/1347280188.db2.gz CGSSQWWEFCBZDL-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047258146 1347281178 /nfs/dbraw/zinc/28/11/78/1347281178.db2.gz YEJGYNZMLODNOC-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079687736 1357348733 /nfs/dbraw/zinc/34/87/33/1357348733.db2.gz UTRCGZXVIPVPSZ-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001047890351 1347400363 /nfs/dbraw/zinc/40/03/63/1347400363.db2.gz ZMEAJZFNCMXQCW-SJLPKXTDSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049097298 1347724814 /nfs/dbraw/zinc/72/48/14/1347724814.db2.gz JUQWORFRPCNMHH-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572668 1347916020 /nfs/dbraw/zinc/91/60/20/1347916020.db2.gz MRTMSIGXOBEAEW-SNRMKQJTSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001049630614 1347943926 /nfs/dbraw/zinc/94/39/26/1347943926.db2.gz RPZTZXHBNKGCQJ-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049655830 1347958100 /nfs/dbraw/zinc/95/81/00/1347958100.db2.gz RWLVUBXOYGJFBV-AQNXPRMDSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001049707146 1347983786 /nfs/dbraw/zinc/98/37/86/1347983786.db2.gz CJWWGGVJGBMRRH-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719674 1347990213 /nfs/dbraw/zinc/99/02/13/1347990213.db2.gz RYUQRRRNEFHJSK-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764647 1348009591 /nfs/dbraw/zinc/00/95/91/1348009591.db2.gz DVMPEZHVMBOZSD-GBESFXJTSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768683 1348011638 /nfs/dbraw/zinc/01/16/38/1348011638.db2.gz YPJUFGMKXBAOBK-XUVXKRRUSA-N 2 0 349.563 3.361 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049918894 1348111896 /nfs/dbraw/zinc/11/18/96/1348111896.db2.gz NHXJRPLYDLVICG-GUDVDZBRSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046468 1348164842 /nfs/dbraw/zinc/16/48/42/1348164842.db2.gz FWOLVLALKWNMTQ-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001050524110 1348283200 /nfs/dbraw/zinc/28/32/00/1348283200.db2.gz SYQUDVJOZMQWQZ-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050550267 1348287830 /nfs/dbraw/zinc/28/78/30/1348287830.db2.gz JFXHVQVXUGMKKB-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001050729849 1348340135 /nfs/dbraw/zinc/34/01/35/1348340135.db2.gz CTVBFUJMVQQBKP-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CC2)CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001052381186 1348536873 /nfs/dbraw/zinc/53/68/73/1348536873.db2.gz MBQFLSRRTQACRR-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052446997 1348543638 /nfs/dbraw/zinc/54/36/38/1348543638.db2.gz VHBPSLJLTLXJLZ-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052507217 1348561891 /nfs/dbraw/zinc/56/18/91/1348561891.db2.gz SZTCDXHWLQRQGE-QGZVFWFLSA-N 2 0 340.471 3.193 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052529915 1348567285 /nfs/dbraw/zinc/56/72/85/1348567285.db2.gz UWWHTDNTIWXQFW-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589498 1348587624 /nfs/dbraw/zinc/58/76/24/1348587624.db2.gz JLNOYNMZXJLTIS-LJQANCHMSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052762753 1348668318 /nfs/dbraw/zinc/66/83/18/1348668318.db2.gz BQUDEYVEABQDKM-RBUKOAKNSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764387 1348669386 /nfs/dbraw/zinc/66/93/86/1348669386.db2.gz NTYLAOFRHHOANK-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001052764722 1348669496 /nfs/dbraw/zinc/66/94/96/1348669496.db2.gz RMTVKANRCIVJPO-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052956561 1348770680 /nfs/dbraw/zinc/77/06/80/1348770680.db2.gz UUJGMVMDVTYBKD-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054155890 1349158679 /nfs/dbraw/zinc/15/86/79/1349158679.db2.gz CPAXLOSZJKDGGR-OAQYLSRUSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001054191780 1349194029 /nfs/dbraw/zinc/19/40/29/1349194029.db2.gz MEHBWPRRHNYUHS-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245229 1349238259 /nfs/dbraw/zinc/23/82/59/1349238259.db2.gz QKUXARJFWWWAOS-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245044 1349238638 /nfs/dbraw/zinc/23/86/38/1349238638.db2.gz NSYXNGHURYHVEE-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1)[NH+]1CCCCC1 ZINC001054244821 1349238694 /nfs/dbraw/zinc/23/86/94/1349238694.db2.gz IWVSEWCQRIKGHI-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCc2ccc3c(c2)C[NH+](CC(C)C)C3)CC[N@@H+]1C ZINC001054266354 1349264244 /nfs/dbraw/zinc/26/42/44/1349264244.db2.gz UJCJTHWSVWLPBD-VQTJNVASSA-N 2 0 343.515 3.005 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054736743 1349450081 /nfs/dbraw/zinc/45/00/81/1349450081.db2.gz NIKALGQVNRRJEX-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001054970660 1349531472 /nfs/dbraw/zinc/53/14/72/1349531472.db2.gz HDZMOZSODFXSMY-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080449497 1357623709 /nfs/dbraw/zinc/62/37/09/1357623709.db2.gz NIONFYFUKZGPPX-NLWGTHIKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001071508587 1354734021 /nfs/dbraw/zinc/73/40/21/1354734021.db2.gz QHLLLAIBSYSYDL-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC1CCCCCC1 ZINC001071796819 1354941880 /nfs/dbraw/zinc/94/18/80/1354941880.db2.gz YADSCSWLRDXNOZ-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1CCCCC1 ZINC001071821644 1354962359 /nfs/dbraw/zinc/96/23/59/1354962359.db2.gz ROVJYVUFIWPGJA-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1CCCCC1 ZINC001071871669 1354996408 /nfs/dbraw/zinc/99/64/08/1354996408.db2.gz JFWRNCLZCZNQSC-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CCC1CCCCC1 ZINC001071996836 1355065712 /nfs/dbraw/zinc/06/57/12/1355065712.db2.gz VMKGPACHWPOVEX-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCC2(CC2)CC1 ZINC001072081452 1355119376 /nfs/dbraw/zinc/11/93/76/1355119376.db2.gz MAHONLKMUMLRIY-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001072301114 1355228720 /nfs/dbraw/zinc/22/87/20/1355228720.db2.gz NMTCRUMCPUZMCF-PKOBYXMFSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072735800 1355417124 /nfs/dbraw/zinc/41/71/24/1355417124.db2.gz RDMRAQYQHCRKDL-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001073033417 1355561632 /nfs/dbraw/zinc/56/16/32/1355561632.db2.gz LHLFOEZIWULXOD-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073099715 1355596166 /nfs/dbraw/zinc/59/61/66/1355596166.db2.gz HOWUBPHUHXWIIN-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC=C(C)C)C2 ZINC001073116679 1355605253 /nfs/dbraw/zinc/60/52/53/1355605253.db2.gz YUEBRVNSVDGOEC-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001323061665 1387278698 /nfs/dbraw/zinc/27/86/98/1387278698.db2.gz AMKOOFKJAIKPIR-IBGZPJMESA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001323061670 1387278708 /nfs/dbraw/zinc/27/87/08/1387278708.db2.gz AMKOOFKJAIKPIR-LJQANCHMSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC001074014679 1356036535 /nfs/dbraw/zinc/03/65/35/1356036535.db2.gz HUFNFTZBGUVPNA-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001074086132 1356074575 /nfs/dbraw/zinc/07/45/75/1356074575.db2.gz OJSJUKIGOHKPBB-SOAGJPPSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C ZINC001074648538 1356221272 /nfs/dbraw/zinc/22/12/72/1356221272.db2.gz DDRSGWRIGQFGER-YTQUADARSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)CC1 ZINC001075452813 1356387410 /nfs/dbraw/zinc/38/74/10/1356387410.db2.gz QOYXPOBDSSYKKT-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881210 1356438187 /nfs/dbraw/zinc/43/81/87/1356438187.db2.gz IMGFOBQPRPZZLW-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099297831 1363737424 /nfs/dbraw/zinc/73/74/24/1363737424.db2.gz JGMXIISCOIHIEV-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084476240 1358222600 /nfs/dbraw/zinc/22/26/00/1358222600.db2.gz PHADDCOLGBXIAN-GUDVDZBRSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC=C(C)C)C[C@H]21 ZINC001084767750 1358304963 /nfs/dbraw/zinc/30/49/63/1358304963.db2.gz IAAZOTLKPSKVIA-VAMGGRTRSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085196886 1358431587 /nfs/dbraw/zinc/43/15/87/1358431587.db2.gz RKOYWKSLTCFVSB-QRVBRYPASA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085308273 1358462165 /nfs/dbraw/zinc/46/21/65/1358462165.db2.gz KOCUWADQMJAWBE-QRVBRYPASA-N 2 0 335.536 3.209 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085365414 1358479785 /nfs/dbraw/zinc/47/97/85/1358479785.db2.gz VVWNMUCUVYHFAP-RTBURBONSA-N 2 0 331.504 3.035 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001085389560 1358486045 /nfs/dbraw/zinc/48/60/45/1358486045.db2.gz MYNFYNYAIQTAPA-QRVBRYPASA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)c1 ZINC001085421442 1358495755 /nfs/dbraw/zinc/49/57/55/1358495755.db2.gz DYKVZAABOSAQJM-MISYRCLQSA-N 2 0 343.515 3.169 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001183759567 1387345045 /nfs/dbraw/zinc/34/50/45/1387345045.db2.gz MKZQZASTQUZCBX-RKWFYDHTSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001183764974 1387345557 /nfs/dbraw/zinc/34/55/57/1387345557.db2.gz LBHXCIPZWIVHKD-ZWKOTPCHSA-N 2 0 345.531 3.285 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085687093 1358687943 /nfs/dbraw/zinc/68/79/43/1358687943.db2.gz ICGCLECFZDFCRO-MOPGFXCFSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086084201 1358991718 /nfs/dbraw/zinc/99/17/18/1358991718.db2.gz HQWDMCXCBLACCI-ZCNNSNEGSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086175493 1359015025 /nfs/dbraw/zinc/01/50/25/1359015025.db2.gz ZBQJHJSZDBOFJS-QRQLOZEOSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086198665 1359024925 /nfs/dbraw/zinc/02/49/25/1359024925.db2.gz ASVRKZPHANJVDX-FFGOWVMKSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086497193 1359120671 /nfs/dbraw/zinc/12/06/71/1359120671.db2.gz AVBVZCKNAKJQFR-UFYCRDLUSA-N 2 0 347.547 3.234 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086530969 1359133989 /nfs/dbraw/zinc/13/39/89/1359133989.db2.gz ZSSGFMLVTRQDEJ-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]C(C)C)C2)o1 ZINC001086886445 1359221507 /nfs/dbraw/zinc/22/15/07/1359221507.db2.gz CMRHVYAVRCTYJD-JKSUJKDBSA-N 2 0 335.492 3.018 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001086932709 1359256169 /nfs/dbraw/zinc/25/61/69/1359256169.db2.gz RTSKVARNCPNORP-MRXNPFEDSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942550 1359264381 /nfs/dbraw/zinc/26/43/81/1359264381.db2.gz VDQKHOBNIIEJNR-RBUKOAKNSA-N 2 0 347.547 3.140 20 0 EGADRP CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001086957827 1359278962 /nfs/dbraw/zinc/27/89/62/1359278962.db2.gz WZXXMMPGEZKVOR-KRWDZBQOSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087245713 1359330101 /nfs/dbraw/zinc/33/01/01/1359330101.db2.gz HBPLUNQCBYKBIW-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1CC ZINC001087593610 1359547516 /nfs/dbraw/zinc/54/75/16/1359547516.db2.gz MWMZCICQXKPQHJ-ZCNNSNEGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@@H+]1CCC1CC1 ZINC001087634587 1359565477 /nfs/dbraw/zinc/56/54/77/1359565477.db2.gz IMZHFLIPRQHNCA-RBUKOAKNSA-N 2 0 340.471 3.026 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087640494 1359566978 /nfs/dbraw/zinc/56/69/78/1359566978.db2.gz GJXVDDBXBPDGLE-ZWKOTPCHSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087725517 1359612513 /nfs/dbraw/zinc/61/25/13/1359612513.db2.gz RYOBBSJVTLMEDE-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC1CCCCCC1 ZINC001087726831 1359613812 /nfs/dbraw/zinc/61/38/12/1359613812.db2.gz UMGSFZCGRDRLFR-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CC1CCCC1 ZINC001087749282 1359626677 /nfs/dbraw/zinc/62/66/77/1359626677.db2.gz CTADRHXOMKMXKX-XUVXKRRUSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCCC1CCC1 ZINC001087773890 1359637072 /nfs/dbraw/zinc/63/70/72/1359637072.db2.gz NNXNNGZHCIKJLV-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCC1CC1 ZINC001087838310 1359673030 /nfs/dbraw/zinc/67/30/30/1359673030.db2.gz AOUWYOZGBAVJHH-VQTJNVASSA-N 2 0 343.515 3.131 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(C)C)CC[C@@H]2C1 ZINC001088166774 1359778663 /nfs/dbraw/zinc/77/86/63/1359778663.db2.gz QSWQUYDTBQJTTI-AABGKKOBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327195 1359831281 /nfs/dbraw/zinc/83/12/81/1359831281.db2.gz HSIZVYKUEZEESY-MJGOQNOKSA-N 2 0 335.536 3.163 20 0 EGADRP CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001088367993 1359852297 /nfs/dbraw/zinc/85/22/97/1359852297.db2.gz YVDCXHTYGOTJOU-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001088383152 1359865290 /nfs/dbraw/zinc/86/52/90/1359865290.db2.gz WKSAVQQUAIHFPS-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001088384181 1359865802 /nfs/dbraw/zinc/86/58/02/1359865802.db2.gz YUPGFGAEKGKSIF-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088430285 1359897587 /nfs/dbraw/zinc/89/75/87/1359897587.db2.gz LLIFBGLFEUAZNR-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088617056 1359992262 /nfs/dbraw/zinc/99/22/62/1359992262.db2.gz WKVZGUPPIQHOCE-HOJAQTOUSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCCC1 ZINC001088899035 1360098746 /nfs/dbraw/zinc/09/87/46/1360098746.db2.gz INDDENPBWGXHPQ-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCC1CCCCCC1 ZINC001088980396 1360122942 /nfs/dbraw/zinc/12/29/42/1360122942.db2.gz GVSHBCUVMPRCFB-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001089226330 1360267671 /nfs/dbraw/zinc/26/76/71/1360267671.db2.gz FTCVUXZGNYENEA-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089380542 1360383242 /nfs/dbraw/zinc/38/32/42/1360383242.db2.gz FJZVLLPTZFZKQV-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089401938 1360401591 /nfs/dbraw/zinc/40/15/91/1360401591.db2.gz ZPPLCZXEFGIFOQ-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421504 1360415592 /nfs/dbraw/zinc/41/55/92/1360415592.db2.gz VEELPPORJFHDRG-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCC)CC(C)(C)C2)C1 ZINC001089472208 1360455414 /nfs/dbraw/zinc/45/54/14/1360455414.db2.gz DPYKHMRLBJCINI-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089473309 1360456630 /nfs/dbraw/zinc/45/66/30/1360456630.db2.gz VIPDHLRMAPZZBM-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089564506 1360511392 /nfs/dbraw/zinc/51/13/92/1360511392.db2.gz ARKMNEZYTOKJHI-OALUTQOASA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089565390 1360512180 /nfs/dbraw/zinc/51/21/80/1360512180.db2.gz QNZUUQQMNNXSCM-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089639163 1360552239 /nfs/dbraw/zinc/55/22/39/1360552239.db2.gz OYBQBFNEIOGXBW-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089639446 1360553564 /nfs/dbraw/zinc/55/35/64/1360553564.db2.gz WELYAVHLNKBLSP-MOPGFXCFSA-N 2 0 349.563 3.432 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089647050 1360559623 /nfs/dbraw/zinc/55/96/23/1360559623.db2.gz RTCYWPMFYRZXJZ-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717787 1360619285 /nfs/dbraw/zinc/61/92/85/1360619285.db2.gz DVIZTBVEAYQZNC-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC ZINC001089721716 1360623910 /nfs/dbraw/zinc/62/39/10/1360623910.db2.gz JSPDXVDVIZFBRX-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001323872845 1387485861 /nfs/dbraw/zinc/48/58/61/1387485861.db2.gz LEUUVNDTBRWVPI-FQEVSTJZSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091267261 1361026921 /nfs/dbraw/zinc/02/69/21/1361026921.db2.gz FZCKMLXHYPGTCR-KVZIAJEVSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094414079 1361790495 /nfs/dbraw/zinc/79/04/95/1361790495.db2.gz SDJXCIPZCMJGER-QKNQBKEWSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095532776 1362162947 /nfs/dbraw/zinc/16/29/47/1362162947.db2.gz PWUGDPVEPHCTSK-RDGPPVDQSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533739 1362163825 /nfs/dbraw/zinc/16/38/25/1362163825.db2.gz LPLOJFYPPFKVRW-FUMNGEBKSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001096104415 1362384321 /nfs/dbraw/zinc/38/43/21/1362384321.db2.gz IJXGUTNLEISZDN-YDZRNGNQSA-N 2 0 349.563 3.407 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001096313513 1362459751 /nfs/dbraw/zinc/45/97/51/1362459751.db2.gz IXKDOTGZHLNMLU-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001097063470 1362830106 /nfs/dbraw/zinc/83/01/06/1362830106.db2.gz MIJJNIFHXABHIP-YSTOQKLRSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001097639047 1363085865 /nfs/dbraw/zinc/08/58/65/1363085865.db2.gz NDKMFUNYFQNBRJ-KURKYZTESA-N 2 0 347.547 3.019 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185071930 1387609269 /nfs/dbraw/zinc/60/92/69/1387609269.db2.gz BXYNSGKDHYZJHS-PVTFFILZSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001098191447 1363250464 /nfs/dbraw/zinc/25/04/64/1363250464.db2.gz GSZDOYSRXXTLEM-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098464136 1363333547 /nfs/dbraw/zinc/33/35/47/1363333547.db2.gz NKTRIMBQXZIPKU-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[NH2+][C@H](C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098827556 1363485074 /nfs/dbraw/zinc/48/50/74/1363485074.db2.gz XFIINZOXADFKQU-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098836261 1363487485 /nfs/dbraw/zinc/48/74/85/1363487485.db2.gz AELCAFVKCQHFRX-LQWHRVPQSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168599 1387631821 /nfs/dbraw/zinc/63/18/21/1387631821.db2.gz HTOZSXCJPDJZNH-MSOLQXFVSA-N 2 0 339.568 3.085 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099116947 1363633250 /nfs/dbraw/zinc/63/32/50/1363633250.db2.gz XXLYCSXZVJDJMQ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001099203415 1363690765 /nfs/dbraw/zinc/69/07/65/1363690765.db2.gz MPNPPJYXZIGECB-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCCCF)[NH+](C)C ZINC001099239814 1363708475 /nfs/dbraw/zinc/70/84/75/1363708475.db2.gz KWBLATAKUSIEHW-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099275877 1363727309 /nfs/dbraw/zinc/72/73/09/1363727309.db2.gz KGQWDXDLXHJUGP-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309250 1363742311 /nfs/dbraw/zinc/74/23/11/1363742311.db2.gz CAKNNNMVDPVFFC-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310411 1363743105 /nfs/dbraw/zinc/74/31/05/1363743105.db2.gz LGLAVIPVWQUTHJ-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310327 1363743233 /nfs/dbraw/zinc/74/32/33/1363743233.db2.gz JTVUMQQDRVMNSN-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099320762 1363748208 /nfs/dbraw/zinc/74/82/08/1363748208.db2.gz MDHDHISGWXTCDC-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001099324360 1363750857 /nfs/dbraw/zinc/75/08/57/1363750857.db2.gz KWDUVXZANUELNX-QGZVFWFLSA-N 2 0 348.535 3.448 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353803 1363768597 /nfs/dbraw/zinc/76/85/97/1363768597.db2.gz GMRFAIFTGCLHFV-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099525050 1363832067 /nfs/dbraw/zinc/83/20/67/1363832067.db2.gz OLPZBSBQQRGGGW-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001100405641 1364103648 /nfs/dbraw/zinc/10/36/48/1364103648.db2.gz GRZLQPCXSHTCBU-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480440 1364129835 /nfs/dbraw/zinc/12/98/35/1364129835.db2.gz SSJSGQCUFGMVDZ-HJOIGYKYSA-N 2 0 342.487 3.115 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536100 1364150852 /nfs/dbraw/zinc/15/08/52/1364150852.db2.gz KCGGLNLVAARFFY-AOCRQIFASA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001101036024 1364383308 /nfs/dbraw/zinc/38/33/08/1364383308.db2.gz GZVRGIDMMYXRRY-SBDAGSLNSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487303 1364579475 /nfs/dbraw/zinc/57/94/75/1364579475.db2.gz XIRWSJNSKKZRAL-CTNGQTDRSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101546530 1364610061 /nfs/dbraw/zinc/61/00/61/1364610061.db2.gz FSNJFCDYRFLYKC-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001101548002 1364611920 /nfs/dbraw/zinc/61/19/20/1364611920.db2.gz ZCQRZCHMIMRYFB-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001101548739 1364612484 /nfs/dbraw/zinc/61/24/84/1364612484.db2.gz GZBYZJPGCJTXKH-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001101550407 1364613510 /nfs/dbraw/zinc/61/35/10/1364613510.db2.gz HKACKCCZBISQDY-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CCC2)CC1 ZINC001101551572 1364614634 /nfs/dbraw/zinc/61/46/34/1364614634.db2.gz QRGRZTYIEHDRBD-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001101573988 1364628311 /nfs/dbraw/zinc/62/83/11/1364628311.db2.gz MMLNNRCCJROOOD-GOSISDBHSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]CC)CC1 ZINC001101582193 1364634935 /nfs/dbraw/zinc/63/49/35/1364634935.db2.gz DAQMUTMJNWFQCT-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001101582312 1364635077 /nfs/dbraw/zinc/63/50/77/1364635077.db2.gz KRNPEPVEPOMIDW-SFHVURJKSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185361126 1387691677 /nfs/dbraw/zinc/69/16/77/1387691677.db2.gz UXAZSGDJTVSDSK-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101595989 1364646714 /nfs/dbraw/zinc/64/67/14/1364646714.db2.gz DSFFOBPRXHUPRZ-KRWDZBQOSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059514 1364827827 /nfs/dbraw/zinc/82/78/27/1364827827.db2.gz SLTFXBUFCNDDBL-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185410300 1387707005 /nfs/dbraw/zinc/70/70/05/1387707005.db2.gz BSQBMSKDPUKVPP-AZUAARDMSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102190666 1364924037 /nfs/dbraw/zinc/92/40/37/1364924037.db2.gz DVVKOGCQRBIWOI-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102475278 1365075622 /nfs/dbraw/zinc/07/56/22/1365075622.db2.gz GZYNJMLNSNMNGC-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C[NH2+]C(C)C)[C@H](C)C1 ZINC001185472936 1387724722 /nfs/dbraw/zinc/72/47/22/1387724722.db2.gz YCEXVZDYBKUYKG-MOPGFXCFSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185525872 1387739134 /nfs/dbraw/zinc/73/91/34/1387739134.db2.gz GYCXEGLCJHJXFO-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398562 1365535564 /nfs/dbraw/zinc/53/55/64/1365535564.db2.gz YMRFWPXPZOOLAH-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655167 1365705740 /nfs/dbraw/zinc/70/57/40/1365705740.db2.gz SPVSMEYDCDUWKD-LXORQPIJSA-N 2 0 337.552 3.149 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655823 1365706304 /nfs/dbraw/zinc/70/63/04/1365706304.db2.gz DDRRDHOBDZNDJO-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663767 1365711984 /nfs/dbraw/zinc/71/19/84/1365711984.db2.gz SXNVQEYCTKANGC-TYFAACHXSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452307 1366033929 /nfs/dbraw/zinc/03/39/29/1366033929.db2.gz IHPVUBXJZRZBKM-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001324834674 1387785929 /nfs/dbraw/zinc/78/59/29/1387785929.db2.gz SOVUUZVPHSYDGJ-UYAOXDASSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C[NH2+]CC1CCCC1 ZINC001185740686 1387787441 /nfs/dbraw/zinc/78/74/41/1387787441.db2.gz DJEXSBKFKXNTIG-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676739 1366127282 /nfs/dbraw/zinc/12/72/82/1366127282.db2.gz WAEFJCFVYCZOFA-CEXWTWQISA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932644 1366229503 /nfs/dbraw/zinc/22/95/03/1366229503.db2.gz FMDYWXFMUWTVON-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CC[C@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105562122 1366531772 /nfs/dbraw/zinc/53/17/72/1366531772.db2.gz WXRMYTAVJOMPNS-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105563041 1366532420 /nfs/dbraw/zinc/53/24/20/1366532420.db2.gz BKYTZRTYYSSPDQ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577310 1366541570 /nfs/dbraw/zinc/54/15/70/1366541570.db2.gz UFHVLPZLUHRABI-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)CCC1 ZINC001105582418 1366543378 /nfs/dbraw/zinc/54/33/78/1366543378.db2.gz SMOWAMMZYHQYKD-IBGZPJMESA-N 2 0 349.563 3.413 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106478528 1366707627 /nfs/dbraw/zinc/70/76/27/1366707627.db2.gz YZABQCMQYPMXIC-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001106479937 1366707997 /nfs/dbraw/zinc/70/79/97/1366707997.db2.gz YHNPORPIFJZBLQ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571221 1366740570 /nfs/dbraw/zinc/74/05/70/1366740570.db2.gz PYGXMKCGFMGUGG-IVCWSTDESA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1)C(C)C ZINC001106776302 1366794620 /nfs/dbraw/zinc/79/46/20/1366794620.db2.gz GFJWEMXABUWLEC-GUDVDZBRSA-N 2 0 337.552 3.003 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001106865460 1366819787 /nfs/dbraw/zinc/81/97/87/1366819787.db2.gz LYNIVWICSSRSNV-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106998707 1366855009 /nfs/dbraw/zinc/85/50/09/1366855009.db2.gz ZYKCSPRBTKLFCH-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106998706 1366855016 /nfs/dbraw/zinc/85/50/16/1366855016.db2.gz ZYKCSPRBTKLFCH-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)[NH+]1CCCCC1 ZINC001107409211 1366955387 /nfs/dbraw/zinc/95/53/87/1366955387.db2.gz LSOIKQKCEBFFDL-WIYYLYMNSA-N 2 0 347.547 3.022 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439089 1366963825 /nfs/dbraw/zinc/96/38/25/1366963825.db2.gz RCYFMVYAPIKWDO-JPKVPHHRSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107482954 1366984855 /nfs/dbraw/zinc/98/48/55/1366984855.db2.gz PIJPJBGOSHLIRH-UYAOXDASSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2)[NH+](CC)CC ZINC001107544116 1367035716 /nfs/dbraw/zinc/03/57/16/1367035716.db2.gz MTENLBFUBLUPAV-NLWGTHIKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614020 1367073167 /nfs/dbraw/zinc/07/31/67/1367073167.db2.gz LKCLXCRGWDBVSA-UYAOXDASSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419300 1367113280 /nfs/dbraw/zinc/11/32/80/1367113280.db2.gz NGAXGUWBEPPGHJ-DIYYGHKSSA-N 2 0 347.547 3.329 20 0 EGADRP CC1CCC(C[N@@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)CC1 ZINC001189871044 1367121400 /nfs/dbraw/zinc/12/14/00/1367121400.db2.gz JBXGOJMDZBGOGF-GHBBCFCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473711 1367145358 /nfs/dbraw/zinc/14/53/58/1367145358.db2.gz AYYBKZCNQCAEET-YDZRNGNQSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473750 1367145718 /nfs/dbraw/zinc/14/57/18/1367145718.db2.gz DBROXUCZORGKKW-FUMNGEBKSA-N 2 0 349.563 3.409 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084904 1367169841 /nfs/dbraw/zinc/16/98/41/1367169841.db2.gz TYXVCSMUFKQIAN-YZBXUTEPSA-N 2 0 335.536 3.138 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CC2)CCCCC1 ZINC001109560492 1367198237 /nfs/dbraw/zinc/19/82/37/1367198237.db2.gz CJVQHYFDBXDTAA-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635409 1367255604 /nfs/dbraw/zinc/25/56/04/1367255604.db2.gz BDSMAYKUYQPUOL-YRPNKDGESA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186083233 1387862765 /nfs/dbraw/zinc/86/27/65/1387862765.db2.gz WHWBYUUSPHXLFL-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654802 1367318862 /nfs/dbraw/zinc/31/88/62/1367318862.db2.gz LOELZFSLAPKVEW-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796815 1367327726 /nfs/dbraw/zinc/32/77/26/1367327726.db2.gz GOKZPCBWIXIVLW-YTALSMMISA-N 2 0 347.547 3.329 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798789 1367328466 /nfs/dbraw/zinc/32/84/66/1367328466.db2.gz SBHCMLFPGQDSQQ-XWSJACJDSA-N 2 0 335.536 3.161 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860227 1367364331 /nfs/dbraw/zinc/36/43/31/1367364331.db2.gz RDDVVULRSWWCEH-RVMWWGBKSA-N 2 0 349.563 3.431 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190996215 1367397676 /nfs/dbraw/zinc/39/76/76/1367397676.db2.gz ATPNVOFIXBKAHP-CRAIPNDOSA-N 2 0 349.494 3.150 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351587 1367481816 /nfs/dbraw/zinc/48/18/16/1367481816.db2.gz JGOSKZVMGQMICN-QFBILLFUSA-N 2 0 342.487 3.163 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191352059 1367482966 /nfs/dbraw/zinc/48/29/66/1367482966.db2.gz PMZLSMVLIKRCRL-SFFCAUCYSA-N 2 0 340.471 3.227 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@H+](C)CC3CCCCC3)C2)CCCC1 ZINC001191561704 1367528794 /nfs/dbraw/zinc/52/87/94/1367528794.db2.gz RWLNZLGRQIMGEB-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561696 1367528836 /nfs/dbraw/zinc/52/88/36/1367528836.db2.gz RPFRKNBSHDYQLB-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704513 1367543789 /nfs/dbraw/zinc/54/37/89/1367543789.db2.gz NVNUDJGVMLXHDT-SCTDSRPQSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717152 1367553870 /nfs/dbraw/zinc/55/38/70/1367553870.db2.gz BQGLMMWDCAPXSB-ACBYSDGPSA-N 2 0 349.563 3.432 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719640 1367555412 /nfs/dbraw/zinc/55/54/12/1367555412.db2.gz WKWHFEJSNGHCRI-KSZLIROESA-N 2 0 347.547 3.020 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765817 1367581605 /nfs/dbraw/zinc/58/16/05/1367581605.db2.gz SYFWTTDMVHRZBX-GPXQEHKYSA-N 2 0 347.547 3.044 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834382 1367627302 /nfs/dbraw/zinc/62/73/02/1367627302.db2.gz MCZPBUUKQPUHOD-ZCNNSNEGSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834676 1367627865 /nfs/dbraw/zinc/62/78/65/1367627865.db2.gz YNNHDFFOGZFSKY-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001192158280 1367704177 /nfs/dbraw/zinc/70/41/77/1367704177.db2.gz LDLRLSQPAPROFZ-PMACEKPBSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192324513 1367752595 /nfs/dbraw/zinc/75/25/95/1367752595.db2.gz GSVJCQABTUDGDM-VVZAMHAXSA-N 2 0 337.552 3.386 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192656949 1367844102 /nfs/dbraw/zinc/84/41/02/1367844102.db2.gz VYCMVUUALMZVGK-MOPGFXCFSA-N 2 0 337.552 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001192671600 1367845812 /nfs/dbraw/zinc/84/58/12/1367845812.db2.gz OEJKIQLPHBQAFO-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846813 1367886388 /nfs/dbraw/zinc/88/63/88/1367886388.db2.gz PSIOXUCJVQRSCO-PXDRNWIDSA-N 2 0 343.515 3.251 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765709 1367967496 /nfs/dbraw/zinc/96/74/96/1367967496.db2.gz MTAWPKJSNTYACR-IBMHEYTHSA-N 2 0 345.531 3.083 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765755 1367968027 /nfs/dbraw/zinc/96/80/27/1367968027.db2.gz OKEOPFJBPLBJOR-MANSERQUSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424562 1368027520 /nfs/dbraw/zinc/02/75/20/1368027520.db2.gz NEOYXNKMDTWWML-VQTJNVASSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857868 1368038179 /nfs/dbraw/zinc/03/81/79/1368038179.db2.gz URDLVOLPYTZIOC-MANSERQUSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCC2)CCCC1 ZINC001110860416 1368040334 /nfs/dbraw/zinc/04/03/34/1368040334.db2.gz ZPKZKIXSNNPFQY-QRVBRYPASA-N 2 0 347.547 3.163 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1)CC(C)(C)C ZINC001111030875 1368146460 /nfs/dbraw/zinc/14/64/60/1368146460.db2.gz IPEMXKMREMQUBX-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001111160409 1368170026 /nfs/dbraw/zinc/17/00/26/1368170026.db2.gz VYYPBQIGUIDORD-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081929 1368179728 /nfs/dbraw/zinc/17/97/28/1368179728.db2.gz ZFBQEIMAZIGSNQ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111218577 1368197027 /nfs/dbraw/zinc/19/70/27/1368197027.db2.gz PEHABZPWLMHZEP-AQNXPRMDSA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274181 1368221399 /nfs/dbraw/zinc/22/13/99/1368221399.db2.gz DIIXCWIIPKGFMX-NHQAVIFJSA-N 2 0 349.563 3.386 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274443 1368221662 /nfs/dbraw/zinc/22/16/62/1368221662.db2.gz HULUXNHTDDTRSH-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001111268944 1368235886 /nfs/dbraw/zinc/23/58/86/1368235886.db2.gz JPWWERYSIYTGQY-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494289 1368320887 /nfs/dbraw/zinc/32/08/87/1368320887.db2.gz IQQFECNABYLACO-FSIHAKKGSA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001186403926 1387934642 /nfs/dbraw/zinc/93/46/42/1387934642.db2.gz CDCPEEQCEKBGIE-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821111 1368482431 /nfs/dbraw/zinc/48/24/31/1368482431.db2.gz LFRUXNCOBJSTII-PXNSSMCTSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195845783 1368502091 /nfs/dbraw/zinc/50/20/91/1368502091.db2.gz NOVBDJPPUQALNL-AATRIKPKSA-N 2 0 335.536 3.142 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111859979 1368510644 /nfs/dbraw/zinc/51/06/44/1368510644.db2.gz JSRYDWWNWJNTAW-SFMFPFJOSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCC1)C2)[NH+](CC)CC ZINC001111869104 1368516189 /nfs/dbraw/zinc/51/61/89/1368516189.db2.gz XWLZMHZVFBENMG-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004292 1368607499 /nfs/dbraw/zinc/60/74/99/1368607499.db2.gz UXEDGBBFKUYACK-AJEASFTHSA-N 2 0 347.547 3.189 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](CCC1CC1)C2 ZINC001112020476 1368622638 /nfs/dbraw/zinc/62/26/38/1368622638.db2.gz JAXSJCRDDCURHI-FPOVZHCZSA-N 2 0 347.547 3.023 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112382203 1368810192 /nfs/dbraw/zinc/81/01/92/1368810192.db2.gz KODSHVLELYUQQG-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001112396991 1368822523 /nfs/dbraw/zinc/82/25/23/1368822523.db2.gz NPVKHOYHKWECDM-DSKINZAPSA-N 2 0 347.547 3.022 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485836 1368824275 /nfs/dbraw/zinc/82/42/75/1368824275.db2.gz YIIFZUKGHVOQRF-ZBTAVZRMSA-N 2 0 337.552 3.243 20 0 EGADRP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001112491319 1368888215 /nfs/dbraw/zinc/88/82/15/1368888215.db2.gz QBZSTUHFPMOQJU-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506887 1368906345 /nfs/dbraw/zinc/90/63/45/1368906345.db2.gz KJRHVONSLHETNE-LQWHRVPQSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCCC2)C1 ZINC001112523138 1368912696 /nfs/dbraw/zinc/91/26/96/1368912696.db2.gz DYBAXQJTFKWOQC-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529550 1368916312 /nfs/dbraw/zinc/91/63/12/1368916312.db2.gz FOIMLAOAEPAMTB-LMNJBCLMSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886350 1368919581 /nfs/dbraw/zinc/91/95/81/1368919581.db2.gz QBWHUGUGGWVERW-IBGZPJMESA-N 2 0 345.531 3.322 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001197898483 1368921668 /nfs/dbraw/zinc/92/16/68/1368921668.db2.gz DVNFGQKNNGKJRW-IBGZPJMESA-N 2 0 345.531 3.322 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001197907240 1368922832 /nfs/dbraw/zinc/92/28/32/1368922832.db2.gz AHEBEPHMPWKOKJ-UHFFFAOYSA-N 2 0 335.536 3.143 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112548746 1368923343 /nfs/dbraw/zinc/92/33/43/1368923343.db2.gz PBKBTPKLOLGZFS-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557610 1368927204 /nfs/dbraw/zinc/92/72/04/1368927204.db2.gz PHYVJZDKXUKAQO-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198135878 1368965826 /nfs/dbraw/zinc/96/58/26/1368965826.db2.gz BQXDBERPMNPMBX-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001186604752 1387984066 /nfs/dbraw/zinc/98/40/66/1387984066.db2.gz HTWIJVOUMAZNDM-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[NH+]1CCC([NH2+]Cc2ccccc2-n2nnc3ccccc32)CC1 ZINC001199022128 1369172143 /nfs/dbraw/zinc/17/21/43/1369172143.db2.gz VOEIOSBGBLKULN-UHFFFAOYSA-N 2 0 349.482 3.385 20 0 EGADRP CC(C)CCC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156453 1369233041 /nfs/dbraw/zinc/23/30/41/1369233041.db2.gz GHYGSHCKRQDJGR-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCNC(=S)N(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001200054750 1369308609 /nfs/dbraw/zinc/30/86/09/1369308609.db2.gz OHLZUYZSNNLJKY-UHFFFAOYSA-N 2 0 344.613 3.037 20 0 EGADRP CS[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001200335041 1369350618 /nfs/dbraw/zinc/35/06/18/1369350618.db2.gz XMECXZHVMHMFLN-MJGOQNOKSA-N 2 0 336.545 3.433 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113439796 1369429647 /nfs/dbraw/zinc/42/96/47/1369429647.db2.gz VIPKETNMKQPLSG-AQNXPRMDSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201398772 1369536969 /nfs/dbraw/zinc/53/69/69/1369536969.db2.gz ARZLPQRLQMHLHT-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201399083 1369537008 /nfs/dbraw/zinc/53/70/08/1369537008.db2.gz GQPPDTDNKVISKR-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001201415383 1369540271 /nfs/dbraw/zinc/54/02/71/1369540271.db2.gz CSKCJLKDJSWRQC-MOPGFXCFSA-N 2 0 336.907 3.424 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201462543 1369549714 /nfs/dbraw/zinc/54/97/14/1369549714.db2.gz RKIUCSFEBLCQHJ-SNAWJCMRSA-N 2 0 340.471 3.275 20 0 EGADRP Cc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC001201633376 1369593474 /nfs/dbraw/zinc/59/34/74/1369593474.db2.gz IXZKCZFJACSZNF-FQEVSTJZSA-N 2 0 342.458 3.381 20 0 EGADRP COc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc2cccnc21 ZINC001201667074 1369601402 /nfs/dbraw/zinc/60/14/02/1369601402.db2.gz AOYIRCDSYOMQKC-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP CSCCC[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001201681025 1369604571 /nfs/dbraw/zinc/60/45/71/1369604571.db2.gz QAOGYYOKHUHGPH-UHFFFAOYSA-N 2 0 337.533 3.475 20 0 EGADRP CCCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201727260 1369610967 /nfs/dbraw/zinc/61/09/67/1369610967.db2.gz PIVBGJVJZXHUPA-LJQANCHMSA-N 2 0 331.504 3.327 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1)[NH+](CC)CC ZINC001202473880 1369783042 /nfs/dbraw/zinc/78/30/42/1369783042.db2.gz QXVHESIRTWGMHJ-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001202538959 1369803158 /nfs/dbraw/zinc/80/31/58/1369803158.db2.gz GHCFFUYHYRFABI-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001325679919 1388028828 /nfs/dbraw/zinc/02/88/28/1388028828.db2.gz OFGVGIAJQALOPL-MXVIHJGJSA-N 2 0 349.563 3.175 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)CC1 ZINC001202771511 1369885847 /nfs/dbraw/zinc/88/58/47/1369885847.db2.gz FSXAKDGXQDVGAU-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001202771533 1369885967 /nfs/dbraw/zinc/88/59/67/1369885967.db2.gz GQNLGGWDZSGLQW-WAYWQWQTSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH2+]CCC(C)C)C1 ZINC001187034293 1388043150 /nfs/dbraw/zinc/04/31/50/1388043150.db2.gz CKFQLUGBSPVSNE-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001187004433 1388038705 /nfs/dbraw/zinc/03/87/05/1388038705.db2.gz OLECKWADFVWIBZ-TZIWHRDSSA-N 2 0 345.531 3.234 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001325743074 1388039004 /nfs/dbraw/zinc/03/90/04/1388039004.db2.gz JFIZOXDFIWQTHE-OXJNMPFZSA-N 2 0 335.451 3.432 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027124 1369958848 /nfs/dbraw/zinc/95/88/48/1369958848.db2.gz CPNBPXOQMJAFBY-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C23CCC3)CCC1 ZINC001203027532 1369959284 /nfs/dbraw/zinc/95/92/84/1369959284.db2.gz GGJVQGYSADMLFY-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001203041857 1369964205 /nfs/dbraw/zinc/96/42/05/1369964205.db2.gz MDUCBZDSKMMKDH-AATRIKPKSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1nn(C)c(C)c1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001203057146 1369968977 /nfs/dbraw/zinc/96/89/77/1369968977.db2.gz LFPZMIVRGNKVFU-UHFFFAOYSA-N 2 0 342.487 3.118 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203103247 1369984260 /nfs/dbraw/zinc/98/42/60/1369984260.db2.gz KOKOAPFAIFSXLU-MSOLQXFVSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC001203203174 1370023364 /nfs/dbraw/zinc/02/33/64/1370023364.db2.gz HXTWVKBYBBNFLV-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1)c1ccccc1 ZINC001203215816 1370028887 /nfs/dbraw/zinc/02/88/87/1370028887.db2.gz ZOOBZYCHIMELGT-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230060 1370032893 /nfs/dbraw/zinc/03/28/93/1370032893.db2.gz KBABCTKYNICPME-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203231440 1370033920 /nfs/dbraw/zinc/03/39/20/1370033920.db2.gz SKHMJEJGPKCQMX-RBUKOAKNSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001203283658 1370061770 /nfs/dbraw/zinc/06/17/70/1370061770.db2.gz UWPDQRWEZIXVGI-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203431418 1370123606 /nfs/dbraw/zinc/12/36/06/1370123606.db2.gz GWMSUECMJKJBKA-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461954 1370134680 /nfs/dbraw/zinc/13/46/80/1370134680.db2.gz JITUXFNMYXWEAZ-RBUKOAKNSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(C)C)C12CCC2 ZINC001203506314 1370148331 /nfs/dbraw/zinc/14/83/31/1370148331.db2.gz IPSRJVGPUZLCRT-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203630475 1370193195 /nfs/dbraw/zinc/19/31/95/1370193195.db2.gz GWOFALXSSFHXHX-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203633064 1370194383 /nfs/dbraw/zinc/19/43/83/1370194383.db2.gz WFIZXWWOQPXKBR-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203823057 1370278467 /nfs/dbraw/zinc/27/84/67/1370278467.db2.gz FJYSMFKIHYWXKG-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP Oc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001203860901 1370293066 /nfs/dbraw/zinc/29/30/66/1370293066.db2.gz VOZYUNSICIQPGS-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCCCC2)cs1 ZINC001115450662 1370459085 /nfs/dbraw/zinc/45/90/85/1370459085.db2.gz JADROVSBDBRFTL-KRWDZBQOSA-N 2 0 349.544 3.059 20 0 EGADRP Cc1nn(C)cc1CN1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001204582915 1370523725 /nfs/dbraw/zinc/52/37/25/1370523725.db2.gz PUEIDQBYKNIXME-NRFANRHFSA-N 2 0 338.499 3.217 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115574825 1370577826 /nfs/dbraw/zinc/57/78/26/1370577826.db2.gz RXBYOOUPXUEUMS-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579338 1370582799 /nfs/dbraw/zinc/58/27/99/1370582799.db2.gz IPQQCZHRNKSEBL-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579383 1370582964 /nfs/dbraw/zinc/58/29/64/1370582964.db2.gz LGBLPFNLIXXPBG-DLBZAZTESA-N 2 0 341.515 3.018 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115596828 1370598307 /nfs/dbraw/zinc/59/83/07/1370598307.db2.gz XRGBRKPSFOSMKV-QGZVFWFLSA-N 2 0 349.544 3.141 20 0 EGADRP CNc1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001204952554 1370614222 /nfs/dbraw/zinc/61/42/22/1370614222.db2.gz FTVTXGWINDXPKD-UHFFFAOYSA-N 2 0 331.504 3.053 20 0 EGADRP CCOc1cc(Br)cc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205057946 1370639669 /nfs/dbraw/zinc/63/96/69/1370639669.db2.gz AQJDNMRDRLPEDI-UHFFFAOYSA-N 2 0 327.266 3.019 20 0 EGADRP COc1ccc2c(c1)CC[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001205164505 1370667213 /nfs/dbraw/zinc/66/72/13/1370667213.db2.gz GVZJNZQBGKQRJG-UHFFFAOYSA-N 2 0 347.462 3.311 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001205219197 1370685335 /nfs/dbraw/zinc/68/53/35/1370685335.db2.gz AENHZMQMRIRZRE-AWEZNQCLSA-N 2 0 336.785 3.035 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)CC1 ZINC001205247829 1370694930 /nfs/dbraw/zinc/69/49/30/1370694930.db2.gz JZEMFOGYVDUHST-FQEVSTJZSA-N 2 0 346.421 3.308 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205257975 1370697698 /nfs/dbraw/zinc/69/76/98/1370697698.db2.gz ZPVWSVWJEWRAMI-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)cc1 ZINC001187289047 1388089049 /nfs/dbraw/zinc/08/90/49/1388089049.db2.gz QEEVWLAGBZSTQA-UHFFFAOYSA-N 2 0 349.478 3.030 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115730495 1370712735 /nfs/dbraw/zinc/71/27/35/1370712735.db2.gz LFHVFMCWPLCVMH-SJLPKXTDSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115730456 1370712963 /nfs/dbraw/zinc/71/29/63/1370712963.db2.gz JVCAPYDIOXUAPA-PKOBYXMFSA-N 2 0 349.563 3.173 20 0 EGADRP COc1ccc2c(c1)C[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001205339408 1370726211 /nfs/dbraw/zinc/72/62/11/1370726211.db2.gz IMRWGKOMHNVHSP-UHFFFAOYSA-N 2 0 347.462 3.311 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001187298348 1388090909 /nfs/dbraw/zinc/09/09/09/1388090909.db2.gz DGSIFPYQLFRYKG-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)C(C)C ZINC001115775882 1370758569 /nfs/dbraw/zinc/75/85/69/1370758569.db2.gz BWPCTHMYCRSZDM-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115776140 1370759552 /nfs/dbraw/zinc/75/95/52/1370759552.db2.gz KPOHQGFHHUTBLL-UHFFFAOYSA-N 2 0 343.531 3.267 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115777416 1370760963 /nfs/dbraw/zinc/76/09/63/1370760963.db2.gz YTHSSAXTQOGPOQ-CMDGGOBGSA-N 2 0 337.552 3.483 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)CCC1 ZINC001205457724 1370761756 /nfs/dbraw/zinc/76/17/56/1370761756.db2.gz MMHAUTYXXDPRHJ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC001205548586 1370787858 /nfs/dbraw/zinc/78/78/58/1370787858.db2.gz YHYAARMIWQNYNS-UHFFFAOYSA-N 2 0 330.520 3.131 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115805661 1370788963 /nfs/dbraw/zinc/78/89/63/1370788963.db2.gz AIIRUCVDVPWJIH-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115805759 1370789205 /nfs/dbraw/zinc/78/92/05/1370789205.db2.gz FBHFQUCTEHMIMU-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Br ZINC001205617479 1370813195 /nfs/dbraw/zinc/81/31/95/1370813195.db2.gz KFXGDSMMWARILV-JSGCOSHPSA-N 2 0 341.293 3.265 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205617838 1370813303 /nfs/dbraw/zinc/81/33/03/1370813303.db2.gz OLPBQTATOSEGCZ-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@H]1C[NH3+] ZINC001205629539 1370817278 /nfs/dbraw/zinc/81/72/78/1370817278.db2.gz ZTIPMOFNOYVDAT-QAPCUYQASA-N 2 0 332.488 3.449 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@H]1C[NH3+] ZINC001205629540 1370817528 /nfs/dbraw/zinc/81/75/28/1370817528.db2.gz ZTIPMOFNOYVDAT-YJBOKZPZSA-N 2 0 332.488 3.449 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205627392 1370817649 /nfs/dbraw/zinc/81/76/49/1370817649.db2.gz PCBRJOCHVABUNH-WBVHZDCISA-N 2 0 348.487 3.063 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205636011 1370820416 /nfs/dbraw/zinc/82/04/16/1370820416.db2.gz BQOMPPZBFLJTRW-WCQYABFASA-N 2 0 332.366 3.098 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC001205652215 1370829266 /nfs/dbraw/zinc/82/92/66/1370829266.db2.gz OMVQLXGSARIXOU-YLJYHZDGSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@H]1CC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC[C@@H]1C[NH3+] ZINC001205653721 1370829906 /nfs/dbraw/zinc/82/99/06/1370829906.db2.gz UUALZABEMNQWFN-DZGCQCFKSA-N 2 0 331.485 3.323 20 0 EGADRP CC(C)(C[N@@H+]1CCCC[C@](O)(C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001205662732 1370833693 /nfs/dbraw/zinc/83/36/93/1370833693.db2.gz DHZCBOLIDSNKSW-KRWDZBQOSA-N 2 0 342.936 3.386 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662650 1370834460 /nfs/dbraw/zinc/83/44/60/1370834460.db2.gz CWZXLBJSSCFZJQ-LAUBAEHRSA-N 2 0 332.532 3.338 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001205674105 1370837485 /nfs/dbraw/zinc/83/74/85/1370837485.db2.gz ZJPRBECZIDHARJ-SFHVURJKSA-N 2 0 334.847 3.276 20 0 EGADRP CC(C)(C)C(=O)Nc1ccccc1CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205796977 1370874703 /nfs/dbraw/zinc/87/47/03/1370874703.db2.gz WOOBMBJCAIAMNN-CQSZACIVSA-N 2 0 339.430 3.087 20 0 EGADRP Cc1c(C(=O)NCC2([NH+](C)C)CCCCCC2)ccc2c[nH+]cn21 ZINC001116486094 1370922861 /nfs/dbraw/zinc/92/28/61/1370922861.db2.gz BNEZGFYGMSQLNK-UHFFFAOYSA-N 2 0 328.460 3.027 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC[C@@H]1C[NH3+] ZINC001206004146 1370935599 /nfs/dbraw/zinc/93/55/99/1370935599.db2.gz QSUVPYMAXAXRKN-CRAIPNDOSA-N 2 0 332.488 3.449 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206005228 1370935671 /nfs/dbraw/zinc/93/56/71/1370935671.db2.gz XDPOBRAQYMITPB-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)cc1Cl ZINC001206013552 1370937963 /nfs/dbraw/zinc/93/79/63/1370937963.db2.gz SBPNWOGFEUZNSX-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC(F)(F)F)c1 ZINC001206013988 1370939338 /nfs/dbraw/zinc/93/93/38/1370939338.db2.gz UQAISESYAAVQMJ-STQMWFEESA-N 2 0 346.393 3.401 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC001206024213 1370941539 /nfs/dbraw/zinc/94/15/39/1370941539.db2.gz YALKBVDNSDSTHW-NRFANRHFSA-N 2 0 330.516 3.036 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206057196 1370949952 /nfs/dbraw/zinc/94/99/52/1370949952.db2.gz PZOLOUUNBZWYCG-UHFFFAOYSA-N 2 0 349.519 3.219 20 0 EGADRP Cc1nc(C)c(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)s1 ZINC001206151336 1370973757 /nfs/dbraw/zinc/97/37/57/1370973757.db2.gz SUFWZMOJXDGPSI-GOSISDBHSA-N 2 0 337.533 3.083 20 0 EGADRP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC001326056871 1388106960 /nfs/dbraw/zinc/10/69/60/1388106960.db2.gz CVPQUTCKPZPZPQ-FQEVSTJZSA-N 2 0 337.467 3.447 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001206246033 1371002646 /nfs/dbraw/zinc/00/26/46/1371002646.db2.gz PGMVHAJARGXNIH-VJIACCKLSA-N 2 0 337.552 3.291 20 0 EGADRP Cc1cc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c2ccccc2[nH+]1 ZINC001206286979 1371012851 /nfs/dbraw/zinc/01/28/51/1371012851.db2.gz XTMZTLBDVZLKBT-GOSISDBHSA-N 3 0 338.499 3.055 20 0 EGADRP CC(C)(C)C(=O)Nc1ncccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304872 1371017014 /nfs/dbraw/zinc/01/70/14/1371017014.db2.gz QDZMEJDJJOZJSU-IBGZPJMESA-N 2 0 332.492 3.017 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001206318235 1371019729 /nfs/dbraw/zinc/01/97/29/1371019729.db2.gz OFIYHLLKWHJPCT-GOSISDBHSA-N 2 0 332.879 3.477 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1CN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206343542 1371028073 /nfs/dbraw/zinc/02/80/73/1371028073.db2.gz GJOCQYLUIXRMLL-LJQANCHMSA-N 2 0 330.451 3.142 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC001206500205 1371074980 /nfs/dbraw/zinc/07/49/80/1371074980.db2.gz HRZZHXPCTUYRNJ-UHFFFAOYSA-N 2 0 336.277 3.491 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001206506657 1371076939 /nfs/dbraw/zinc/07/69/39/1371076939.db2.gz JPRYXUMLVYBVRR-UHFFFAOYSA-N 2 0 336.277 3.491 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550006 1371091240 /nfs/dbraw/zinc/09/12/40/1371091240.db2.gz SWGFIQSIFDAGQJ-NRFANRHFSA-N 2 0 340.515 3.499 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)C1 ZINC001206563736 1371093915 /nfs/dbraw/zinc/09/39/15/1371093915.db2.gz IECOMSBZQRMIGT-GOSISDBHSA-N 2 0 332.879 3.477 20 0 EGADRP COC(=O)c1ccc2[nH]cc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c2c1 ZINC001206590531 1371102501 /nfs/dbraw/zinc/10/25/01/1371102501.db2.gz NBEIHDSZKHSBRY-QGZVFWFLSA-N 2 0 343.471 3.307 20 0 EGADRP CC(C)[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCC[NH2+]CC1 ZINC001206598430 1371105279 /nfs/dbraw/zinc/10/52/79/1371105279.db2.gz JLPBYZGDHHGNMM-LJQANCHMSA-N 3 0 340.515 3.097 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001206653690 1371121775 /nfs/dbraw/zinc/12/17/75/1371121775.db2.gz MUHXZUTVGSGDJG-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP COc1c(F)ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1F ZINC001206756115 1371154868 /nfs/dbraw/zinc/15/48/68/1371154868.db2.gz XLKXUZJDMGMHDE-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001206768748 1371158713 /nfs/dbraw/zinc/15/87/13/1371158713.db2.gz LWJXNMQNOJQNMQ-VXGBXAGGSA-N 2 0 336.277 3.490 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC001118351995 1371166255 /nfs/dbraw/zinc/16/62/55/1371166255.db2.gz RADVCOOYQSKPCC-GFCCVEGCSA-N 2 0 344.381 3.253 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797123 1371170610 /nfs/dbraw/zinc/17/06/10/1371170610.db2.gz UPXRNXIYRRMICD-WOJBJXKFSA-N 2 0 338.499 3.073 20 0 EGADRP Cc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001206852367 1371189645 /nfs/dbraw/zinc/18/96/45/1371189645.db2.gz MTUVYWTUTZJPIL-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP CC(C)(C)CCC[NH2+]CC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001206901204 1371215493 /nfs/dbraw/zinc/21/54/93/1371215493.db2.gz KZESNQZJJYISTA-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001206948218 1371240795 /nfs/dbraw/zinc/24/07/95/1371240795.db2.gz ZUCKNYBXALOAMP-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950118 1371241383 /nfs/dbraw/zinc/24/13/83/1371241383.db2.gz BIOJCASTLKAWDK-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951285 1371242268 /nfs/dbraw/zinc/24/22/68/1371242268.db2.gz IZFBSVNTZCPOAI-PLNGDYQASA-N 2 0 349.563 3.437 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951408 1371243097 /nfs/dbraw/zinc/24/30/97/1371243097.db2.gz PPABZEOIESWLCN-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206953385 1371243801 /nfs/dbraw/zinc/24/38/01/1371243801.db2.gz HKYVWVXXHRHYSW-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP O=c1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001207072545 1371285569 /nfs/dbraw/zinc/28/55/69/1371285569.db2.gz JFERWLGTHPJKOQ-RTBURBONSA-N 2 0 337.467 3.131 20 0 EGADRP O=c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc[nH]1 ZINC001207126357 1371302207 /nfs/dbraw/zinc/30/22/07/1371302207.db2.gz POVWNYSLHOPZON-WOJBJXKFSA-N 2 0 337.467 3.131 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207175816 1371321440 /nfs/dbraw/zinc/32/14/40/1371321440.db2.gz CVYOJRQXAJGPKZ-UYAOXDASSA-N 2 0 349.950 3.403 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC001207189047 1371324077 /nfs/dbraw/zinc/32/40/77/1371324077.db2.gz XNWYYQJFDPBFKP-PXNSSMCTSA-N 2 0 347.934 3.155 20 0 EGADRP CC1=CC[C@@H](CC[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)C1(C)C ZINC001207275509 1371347420 /nfs/dbraw/zinc/34/74/20/1371347420.db2.gz KPGPELZHCFKMGF-FQEVSTJZSA-N 2 0 333.564 3.328 20 0 EGADRP C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207278929 1371348958 /nfs/dbraw/zinc/34/89/58/1371348958.db2.gz HDZYVAMSLJIGLE-HZPDHXFCSA-N 2 0 341.540 3.199 20 0 EGADRP Cc1cccc(N2C[C@]3(CC[N@@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)c1 ZINC001207281455 1371348974 /nfs/dbraw/zinc/34/89/74/1371348974.db2.gz DMUABKSCXMTCGN-OAQYLSRUSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001207284234 1371350022 /nfs/dbraw/zinc/35/00/22/1371350022.db2.gz MGLVGVCTDDBXNZ-IBGZPJMESA-N 2 0 341.540 3.201 20 0 EGADRP OC[C@]1(F)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286859 1371351321 /nfs/dbraw/zinc/35/13/21/1371351321.db2.gz OFTPLTJTYCJUSL-FQEVSTJZSA-N 2 0 334.479 3.085 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207382440 1371380075 /nfs/dbraw/zinc/38/00/75/1371380075.db2.gz MNQICWQGPBCTCC-UHFFFAOYSA-N 2 0 325.294 3.265 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)CC1 ZINC001207392332 1371382751 /nfs/dbraw/zinc/38/27/51/1371382751.db2.gz YXKDPTHHAIQUMV-UHFFFAOYSA-N 2 0 342.314 3.457 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)CC1 ZINC001207397045 1371383802 /nfs/dbraw/zinc/38/38/02/1371383802.db2.gz CUVAAJRUKXLCGG-HXUWFJFHSA-N 2 0 328.500 3.367 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207463016 1371403058 /nfs/dbraw/zinc/40/30/58/1371403058.db2.gz DJELPRLEGKLBSL-MJGOQNOKSA-N 2 0 332.488 3.383 20 0 EGADRP C[N@@H+](CCc1cccc(C(F)(F)F)n1)CCC1CC[NH+](C)CC1 ZINC001207480092 1371408664 /nfs/dbraw/zinc/40/86/64/1371408664.db2.gz UDDLSCKOZLYNCC-UHFFFAOYSA-N 2 0 329.410 3.307 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001119987921 1371443006 /nfs/dbraw/zinc/44/30/06/1371443006.db2.gz CNMALJMTWYPXEU-YZGWKJHDSA-N 2 0 327.516 3.449 20 0 EGADRP COC(=O)CC[N@@H+](CCCc1cccc(Cl)c1)CCC[NH+](C)C ZINC001207589370 1371444624 /nfs/dbraw/zinc/44/46/24/1371444624.db2.gz LATYSCBQYQQHDI-UHFFFAOYSA-N 2 0 340.895 3.089 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001120005193 1371451476 /nfs/dbraw/zinc/45/14/76/1371451476.db2.gz MDWZFUACLCAGHI-OALUTQOASA-N 2 0 349.563 3.482 20 0 EGADRP O=C(NCC1([NH2+]CCC2CCCC2)CCCCC1)C12CC[NH+](CC1)C2 ZINC001120020322 1371457443 /nfs/dbraw/zinc/45/74/43/1371457443.db2.gz AFLPXDWEPYQXNG-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCCC1 ZINC001120045673 1371467096 /nfs/dbraw/zinc/46/70/96/1371467096.db2.gz CXQLRLJRONZILO-FPLPWBNLSA-N 2 0 337.552 3.483 20 0 EGADRP CC1CCC(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCCCC2)CC1 ZINC001120129844 1371492065 /nfs/dbraw/zinc/49/20/65/1371492065.db2.gz OZEYKOPFDAEVQH-CTWPCTMYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207750243 1371493477 /nfs/dbraw/zinc/49/34/77/1371493477.db2.gz NIFKGXAYMOJFEZ-BHIYHBOVSA-N 2 0 345.531 3.305 20 0 EGADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCC2=CCCCC2)CCCCC1 ZINC001120140377 1371494075 /nfs/dbraw/zinc/49/40/75/1371494075.db2.gz DRZPXMQVNPSABT-UHFFFAOYSA-N 2 0 347.547 3.381 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208424 1371504773 /nfs/dbraw/zinc/50/47/73/1371504773.db2.gz ZFMCUVQEPUXHBG-DLBZAZTESA-N 2 0 341.515 3.018 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207923458 1371539785 /nfs/dbraw/zinc/53/97/85/1371539785.db2.gz QTPMLIFRVVSBOQ-ROUUACIJSA-N 2 0 348.487 3.108 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208015059 1371569528 /nfs/dbraw/zinc/56/95/28/1371569528.db2.gz XBARVMGCEFTKAP-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001120430561 1371573988 /nfs/dbraw/zinc/57/39/88/1371573988.db2.gz LTILGNSZZCWZRG-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001120430915 1371574629 /nfs/dbraw/zinc/57/46/29/1371574629.db2.gz NZSGIPJMUAUWLP-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001120432228 1371574701 /nfs/dbraw/zinc/57/47/01/1371574701.db2.gz ZATVEEKRJCOZIE-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120438866 1371577492 /nfs/dbraw/zinc/57/74/92/1371577492.db2.gz CPSFIVROQHXZBF-RLWBPELLSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120449444 1371581221 /nfs/dbraw/zinc/58/12/21/1371581221.db2.gz MGNUBZIPHHQIPE-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C/CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120450342 1371581374 /nfs/dbraw/zinc/58/13/74/1371581374.db2.gz VEBGYLNEQPPGMR-NHQAVIFJSA-N 2 0 349.563 3.388 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001208095048 1371595105 /nfs/dbraw/zinc/59/51/05/1371595105.db2.gz VEBLXRPZLOGRDQ-SFHVURJKSA-N 2 0 336.520 3.306 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208109430 1371597850 /nfs/dbraw/zinc/59/78/50/1371597850.db2.gz MXNHAWZUQXWTGB-UHFFFAOYSA-N 2 0 340.515 3.485 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC001208154458 1371612593 /nfs/dbraw/zinc/61/25/93/1371612593.db2.gz GUUBZLQMRDMAJQ-GOSISDBHSA-N 2 0 335.536 3.431 20 0 EGADRP COCC[C@H]1CO[C@]2(C1)CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185765 1371626952 /nfs/dbraw/zinc/62/69/52/1371626952.db2.gz QBJPTAQIUGKKGB-QUCCMNQESA-N 2 0 338.536 3.016 20 0 EGADRP Cc1cccc(N2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)CC2)n1 ZINC001208185883 1371627672 /nfs/dbraw/zinc/62/76/72/1371627672.db2.gz JWEKTCUBWRZPCJ-UHFFFAOYSA-N 2 0 330.520 3.024 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001326310406 1388149364 /nfs/dbraw/zinc/14/93/64/1388149364.db2.gz DXRDKAJIRCHECR-QGZVFWFLSA-N 2 0 329.488 3.096 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258241 1371687487 /nfs/dbraw/zinc/68/74/87/1371687487.db2.gz DTPMOLMYPMNKOF-INIZCTEOSA-N 2 0 337.533 3.050 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208261735 1371688769 /nfs/dbraw/zinc/68/87/69/1371688769.db2.gz RERZUVOCEJTLGH-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208363361 1371735865 /nfs/dbraw/zinc/73/58/65/1371735865.db2.gz XYPOSYMSRYKEMC-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208459556 1371775304 /nfs/dbraw/zinc/77/53/04/1371775304.db2.gz BYFQCOLCRKAHNS-QGZVFWFLSA-N 2 0 337.552 3.410 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001208588679 1371830424 /nfs/dbraw/zinc/83/04/24/1371830424.db2.gz KIPYWYFNKQWSNJ-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001208592937 1371832834 /nfs/dbraw/zinc/83/28/34/1371832834.db2.gz MMEWEDFYISRTRB-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)CC1 ZINC001208597971 1371834881 /nfs/dbraw/zinc/83/48/81/1371834881.db2.gz OKSNZGAGCBKQTO-UHFFFAOYSA-N 2 0 328.500 3.341 20 0 EGADRP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208602846 1371835973 /nfs/dbraw/zinc/83/59/73/1371835973.db2.gz OZWCAQJYVSELCR-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC001208602986 1371837159 /nfs/dbraw/zinc/83/71/59/1371837159.db2.gz QJIDEEHHPKAHHI-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)C1 ZINC001208606267 1371838668 /nfs/dbraw/zinc/83/86/68/1371838668.db2.gz DPHMAYXGGHSASW-MRXNPFEDSA-N 2 0 340.471 3.258 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001121112808 1371856473 /nfs/dbraw/zinc/85/64/73/1371856473.db2.gz YRZUGFYRELMYGQ-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP COc1ccc(CC[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1OC ZINC001208755689 1371884964 /nfs/dbraw/zinc/88/49/64/1371884964.db2.gz FZILYMCGGWQSIW-UHFFFAOYSA-N 2 0 346.515 3.300 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)CCCC1 ZINC001208769530 1371890294 /nfs/dbraw/zinc/89/02/94/1371890294.db2.gz KXMNSYNRXRBGIX-QGZVFWFLSA-N 2 0 349.544 3.093 20 0 EGADRP CC[C@@H](CCC(=O)OC)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208793668 1371898396 /nfs/dbraw/zinc/89/83/96/1371898396.db2.gz WSDRWFRTPTWXMR-YSIASYRMSA-N 2 0 344.499 3.030 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121247015 1371906809 /nfs/dbraw/zinc/90/68/09/1371906809.db2.gz VEKFMGFZCHTRBG-IFKQDFQBSA-N 2 0 347.547 3.090 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121267482 1371915902 /nfs/dbraw/zinc/91/59/02/1371915902.db2.gz OHDVPVNXAVIAHF-UJBLGMEYSA-N 2 0 349.563 3.336 20 0 EGADRP COc1ccnc(N2CC[NH+](CCCc3ccccc3Cl)CC2)c1 ZINC001208873770 1371927492 /nfs/dbraw/zinc/92/74/92/1371927492.db2.gz DMSVDWJHWWOVMR-UHFFFAOYSA-N 2 0 345.874 3.498 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2)[NH+](C)C ZINC001121302257 1371929659 /nfs/dbraw/zinc/92/96/59/1371929659.db2.gz UXTSMFBNAXVKBJ-RSXKDLDNSA-N 2 0 337.552 3.170 20 0 EGADRP CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001121340651 1371942735 /nfs/dbraw/zinc/94/27/35/1371942735.db2.gz CDCORORUAOQGFG-UHFFFAOYSA-N 2 0 335.536 3.066 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)C2)cc1 ZINC001208940475 1371954907 /nfs/dbraw/zinc/95/49/07/1371954907.db2.gz SDBPQRNDPWNJMV-AFDCHOCNSA-N 2 0 326.484 3.008 20 0 EGADRP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H](COCC4CC4)C3)C2)cc1 ZINC001208951293 1371960725 /nfs/dbraw/zinc/96/07/25/1371960725.db2.gz BKYPOFAZJGACNS-LEWJYISDSA-N 2 0 328.500 3.257 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@H](COCC4CC4)C3)C2)cc1 ZINC001208951295 1371961252 /nfs/dbraw/zinc/96/12/52/1371961252.db2.gz BKYPOFAZJGACNS-RTWAWAEBSA-N 2 0 328.500 3.257 20 0 EGADRP FC(F)(F)c1ccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001209124808 1372005691 /nfs/dbraw/zinc/00/56/91/1372005691.db2.gz RZUNCUPATFVYQW-UHFFFAOYSA-N 2 0 335.373 3.465 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209133575 1372009458 /nfs/dbraw/zinc/00/94/58/1372009458.db2.gz HNJOBJZUEXWIOA-CEXWTWQISA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142163 1372012011 /nfs/dbraw/zinc/01/20/11/1372012011.db2.gz GJPZXARBMNGIFP-QRVBRYPASA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC=C(C)C)C3)C1 ZINC001121618102 1372027716 /nfs/dbraw/zinc/02/77/16/1372027716.db2.gz YNFBWZMSVYHASP-PMRGXDQWSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001121687373 1372046523 /nfs/dbraw/zinc/04/65/23/1372046523.db2.gz NTIXNLYCNJWVGM-GICSWVMSSA-N 2 0 349.563 3.027 20 0 EGADRP C[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)CC1 ZINC001121687346 1372046576 /nfs/dbraw/zinc/04/65/76/1372046576.db2.gz MIQUMDMCYHEZDR-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCCC1)C2 ZINC001121702744 1372051558 /nfs/dbraw/zinc/05/15/58/1372051558.db2.gz JIJKRMKSCQLKHP-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767762 1372074825 /nfs/dbraw/zinc/07/48/25/1372074825.db2.gz KAKFCHMFNKQODM-PPDYRMFTSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772502 1372076559 /nfs/dbraw/zinc/07/65/59/1372076559.db2.gz BTOVSTOVSWVGRC-IPHBXJNRSA-N 2 0 349.563 3.027 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121790819 1372081873 /nfs/dbraw/zinc/08/18/73/1372081873.db2.gz DKLISOAFONTHPZ-AKJOHPPZSA-N 2 0 337.552 3.027 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001121860770 1372105827 /nfs/dbraw/zinc/10/58/27/1372105827.db2.gz ORTCXJJLYKLLBI-PLNGDYQASA-N 2 0 347.547 3.092 20 0 EGADRP CC[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209449817 1372109448 /nfs/dbraw/zinc/10/94/48/1372109448.db2.gz AFTIQRPSJGPVGN-KRWDZBQOSA-N 2 0 339.524 3.194 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2F)C1)[NH+](CC)CC ZINC001209588294 1372144606 /nfs/dbraw/zinc/14/46/06/1372144606.db2.gz GCLUKGULROTANC-HKUYNNGSSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055376 1372163732 /nfs/dbraw/zinc/16/37/32/1372163732.db2.gz BPQCIVVTAKCUCG-IAAUGFHKSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209660203 1372164538 /nfs/dbraw/zinc/16/45/38/1372164538.db2.gz OJGUNCRWQPCHBW-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1ccccc1)C2 ZINC001122106516 1372175645 /nfs/dbraw/zinc/17/56/45/1372175645.db2.gz KOIQSGIEIAOYHB-WOLZCAMPSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)(C)c1ccc(C[NH+]2CCN(Cc3c[nH+]ccc3N)CC2)cc1 ZINC001209731581 1372179243 /nfs/dbraw/zinc/17/92/43/1372179243.db2.gz UFCLIPZPZHIWCM-UHFFFAOYSA-N 2 0 338.499 3.109 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c2cccnc21 ZINC001209748622 1372182629 /nfs/dbraw/zinc/18/26/29/1372182629.db2.gz FOKLURBQAKLFCI-ROUUACIJSA-N 2 0 326.488 3.412 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC001122197608 1372199488 /nfs/dbraw/zinc/19/94/88/1372199488.db2.gz PXYJTZHGEQABDF-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231091 1372207122 /nfs/dbraw/zinc/20/71/22/1372207122.db2.gz CKNMPIDJIZXZCF-QDKZHEGCSA-N 2 0 347.547 3.233 20 0 EGADRP [NH3+]CCN1CC[NH+](Cc2cccc3c4ccccc4sc32)CC1 ZINC001209976644 1372246257 /nfs/dbraw/zinc/24/62/57/1372246257.db2.gz VQBRZBLXGTWUKS-UHFFFAOYSA-N 2 0 325.481 3.131 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001210235901 1372300682 /nfs/dbraw/zinc/30/06/82/1372300682.db2.gz HETUUVXXSOYEBB-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP Clc1cccc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccnc12 ZINC001210262745 1372308344 /nfs/dbraw/zinc/30/83/44/1372308344.db2.gz PUZUKJQSHKTSOS-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP Clc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c2ccccc2n1 ZINC001210262186 1372308931 /nfs/dbraw/zinc/30/89/31/1372308931.db2.gz BVOPDEURWAWCDI-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433615 1372352776 /nfs/dbraw/zinc/35/27/76/1372352776.db2.gz UUAYLGCBYAPPKT-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001210645397 1372398846 /nfs/dbraw/zinc/39/88/46/1372398846.db2.gz QZJHXWSMZUMNPO-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643786 1372399028 /nfs/dbraw/zinc/39/90/28/1372399028.db2.gz LEUYGAXEKIIKBC-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cnc3sccc3c2)CC1 ZINC001210692909 1372409163 /nfs/dbraw/zinc/40/91/63/1372409163.db2.gz PLDDXBAWOJTUAN-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP C[NH+]1CCC(n2cc(Nc3ccccc3C[NH+]3CCCC3)cn2)CC1 ZINC001210756716 1372420281 /nfs/dbraw/zinc/42/02/81/1372420281.db2.gz RWTUAFUPVJPJAQ-UHFFFAOYSA-N 2 0 339.487 3.489 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001210784408 1372426182 /nfs/dbraw/zinc/42/61/82/1372426182.db2.gz ZSAFVUUFOGMDRZ-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001210783490 1372426201 /nfs/dbraw/zinc/42/62/01/1372426201.db2.gz TXDLOLQUYMGIJX-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240757 1372509868 /nfs/dbraw/zinc/50/98/68/1372509868.db2.gz PIHCULNIJYOYFC-HMECNJMJSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211242023 1372510072 /nfs/dbraw/zinc/51/00/72/1372510072.db2.gz YAZRJVCNFDHDIE-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211247969 1372511481 /nfs/dbraw/zinc/51/14/81/1372511481.db2.gz CZPVLWILHXPLQD-VOFKWLDRSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261924 1372515276 /nfs/dbraw/zinc/51/52/76/1372515276.db2.gz HARMLERTYDQHLL-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH2+]Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC001326485202 1388212278 /nfs/dbraw/zinc/21/22/78/1388212278.db2.gz BJSLXJPCJFRWIZ-UHFFFAOYSA-N 2 0 328.460 3.468 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001127322824 1373115474 /nfs/dbraw/zinc/11/54/74/1373115474.db2.gz XRMAYZZFGWMCIK-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001127327559 1373115736 /nfs/dbraw/zinc/11/57/36/1373115736.db2.gz POMWOZFLMCFVLQ-GOSISDBHSA-N 2 0 349.494 3.247 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214947681 1373147016 /nfs/dbraw/zinc/14/70/16/1373147016.db2.gz CUZHUDPENMEQEL-CQQBRXBZSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001215027048 1373159133 /nfs/dbraw/zinc/15/91/33/1373159133.db2.gz MNSYIPVVXOOJKL-DNVCBOLYSA-N 2 0 342.487 3.129 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153181 1373179808 /nfs/dbraw/zinc/17/98/08/1373179808.db2.gz GNDRMYBMKRJNLI-FRQCXROJSA-N 2 0 342.487 3.067 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188140159 1388247740 /nfs/dbraw/zinc/24/77/40/1388247740.db2.gz ZCGXCTUWDINPJU-YSKLNCTFSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001188139404 1388247764 /nfs/dbraw/zinc/24/77/64/1388247764.db2.gz NNQVYUDOQXXMKM-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001216834797 1373349103 /nfs/dbraw/zinc/34/91/03/1373349103.db2.gz XZTKAHGYWGZYSU-CQJJOKNBSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3cc4c(s3)C[NH2+]CC4)n2)cc1 ZINC001217305323 1373421452 /nfs/dbraw/zinc/42/14/52/1373421452.db2.gz OSSYRCUCOBRFFU-UHFFFAOYSA-N 2 0 340.452 3.172 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccc(Cl)cc1 ZINC001129949631 1373439780 /nfs/dbraw/zinc/43/97/80/1373439780.db2.gz GVQZIVWOGSNAOP-IRXDYDNUSA-N 2 0 339.911 3.083 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001130187422 1373471524 /nfs/dbraw/zinc/47/15/24/1373471524.db2.gz UVFUGHBYDIZWKC-VQTJNVASSA-N 2 0 343.515 3.033 20 0 EGADRP c1cc(OCC[NH+]2CCCCCC2)ccc1CO[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001217814334 1373503829 /nfs/dbraw/zinc/50/38/29/1373503829.db2.gz IMWPHXZOMQDGII-KXTWHKPSSA-N 2 0 344.499 3.066 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCCC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC001217928830 1373513352 /nfs/dbraw/zinc/51/33/52/1373513352.db2.gz HTTPGFMMHBOTRC-HBMCJLEFSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@@H]1C[NH2+]C[C@H]1Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC001218035608 1373543801 /nfs/dbraw/zinc/54/38/01/1373543801.db2.gz JKOHRQWNKFIPDU-GREXAQRUSA-N 2 0 340.511 3.362 20 0 EGADRP CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@H]3C[NH2+]CCOC3)c2C1 ZINC001218040648 1373546205 /nfs/dbraw/zinc/54/62/05/1373546205.db2.gz AZWANHQXTHGZCF-MOPGFXCFSA-N 2 0 346.515 3.033 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)c1ccccc1Cl ZINC001130874653 1373600352 /nfs/dbraw/zinc/60/03/52/1373600352.db2.gz IOCZFWKEWZIXIN-CYBMUJFWSA-N 2 0 342.830 3.068 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)c1ccc(Cl)cc1 ZINC001130874915 1373601738 /nfs/dbraw/zinc/60/17/38/1373601738.db2.gz UEWQAWKSCRSFQF-ZDUSSCGKSA-N 2 0 342.830 3.068 20 0 EGADRP C[C@H]1CC[C@@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C[NH2+]1 ZINC001218401424 1373608184 /nfs/dbraw/zinc/60/81/84/1373608184.db2.gz HMPPMIXTGLJOBR-WMLDXEAASA-N 2 0 327.472 3.496 20 0 EGADRP CCCCC[C@H]([NH2+]C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001218862748 1373663128 /nfs/dbraw/zinc/66/31/28/1373663128.db2.gz YLJBBMAZVQYACQ-IBGZPJMESA-N 2 0 347.503 3.268 20 0 EGADRP COc1cccc([C@H]([NH3+])CC(=O)Nc2ccc(C3([NH3+])CCC3)cc2)c1 ZINC001218971696 1373672726 /nfs/dbraw/zinc/67/27/26/1373672726.db2.gz AMRKRLHZKCHJNW-GOSISDBHSA-N 2 0 339.439 3.062 20 0 EGADRP Cc1ccc(C2(CC(=O)Nc3cccc4c3C[NH2+]C4)CC[NH2+]CC2)cc1 ZINC001218992737 1373675143 /nfs/dbraw/zinc/67/51/43/1373675143.db2.gz DEKJRVZCERKOSP-UHFFFAOYSA-N 2 0 349.478 3.248 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC001219585096 1373719280 /nfs/dbraw/zinc/71/92/80/1373719280.db2.gz UWIDESHQHGTFBQ-YTQUADARSA-N 2 0 331.504 3.106 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001221196553 1373767650 /nfs/dbraw/zinc/76/76/50/1373767650.db2.gz SIXMSTVLRLWYOV-ZWKOTPCHSA-N 2 0 345.874 3.002 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCCCC)C[C@H]21 ZINC001221876653 1373800927 /nfs/dbraw/zinc/80/09/27/1373800927.db2.gz NHLFSRJWXUPDPO-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccc(F)cc1 ZINC001131799515 1373809949 /nfs/dbraw/zinc/80/99/49/1373809949.db2.gz QNSLLRLJNUJERJ-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132089953 1375140271 /nfs/dbraw/zinc/14/02/71/1375140271.db2.gz BDRLUZRBHIPWKS-BGYNLAARSA-N 2 0 332.492 3.058 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132123457 1375157978 /nfs/dbraw/zinc/15/79/78/1375157978.db2.gz DUJWXBPGFNCGNN-NYQZOWANSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150166 1375170552 /nfs/dbraw/zinc/17/05/52/1375170552.db2.gz OSIKBAFLTNUSMQ-MSOLQXFVSA-N 2 0 335.536 3.164 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132153894 1375174326 /nfs/dbraw/zinc/17/43/26/1375174326.db2.gz USTVXDZRCSQTEH-IMBPEULASA-N 2 0 340.471 3.273 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132157656 1375175981 /nfs/dbraw/zinc/17/59/81/1375175981.db2.gz RVXQZPOLATXALT-FUHWJXTLSA-N 2 0 342.487 3.497 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CC1CCC1 ZINC001132210321 1375211681 /nfs/dbraw/zinc/21/16/81/1375211681.db2.gz GGOHFNHWYUGFAV-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CC1CCCCCC1 ZINC001132265565 1375254845 /nfs/dbraw/zinc/25/48/45/1375254845.db2.gz OQEQYFJAVMHTDK-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCCC1CCCC1 ZINC001132269067 1375256546 /nfs/dbraw/zinc/25/65/46/1375256546.db2.gz DVDJFPOPPAKRRK-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CCC(C)(C)C ZINC001132310570 1375288229 /nfs/dbraw/zinc/28/82/29/1375288229.db2.gz LUZKUSFMACMSLU-DLBZAZTESA-N 2 0 339.568 3.370 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CCC(C)(C)C ZINC001132310575 1375288423 /nfs/dbraw/zinc/28/84/23/1375288423.db2.gz LUZKUSFMACMSLU-SJORKVTESA-N 2 0 339.568 3.370 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]2C)c1 ZINC001132376143 1375339084 /nfs/dbraw/zinc/33/90/84/1375339084.db2.gz KDYVNDYVBCRNTQ-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376191 1375339351 /nfs/dbraw/zinc/33/93/51/1375339351.db2.gz KXRLVUDOEZKYSX-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132381003 1375341181 /nfs/dbraw/zinc/34/11/81/1375341181.db2.gz SXRYSSDXAPQYPV-CQQBRXBZSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132440900 1375385207 /nfs/dbraw/zinc/38/52/07/1375385207.db2.gz HRYJIOUZHZVVNZ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132442306 1375387181 /nfs/dbraw/zinc/38/71/81/1375387181.db2.gz ZBARESCDDJQTIK-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227090914 1375388718 /nfs/dbraw/zinc/38/87/18/1375388718.db2.gz IDIJUIBXSOWECT-GJGSYKPXSA-N 2 0 335.536 3.234 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001132517498 1375435423 /nfs/dbraw/zinc/43/54/23/1375435423.db2.gz DCQXYTHFFOJXOO-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519473 1375436682 /nfs/dbraw/zinc/43/66/82/1375436682.db2.gz ZJRDHWWFOAVEAD-WFRZBGSESA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132549311 1375456027 /nfs/dbraw/zinc/45/60/27/1375456027.db2.gz QFLFCNUBMXOBSH-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC001227807508 1375478273 /nfs/dbraw/zinc/47/82/73/1375478273.db2.gz RTOOFHBTGUVPMB-QGZVFWFLSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227867214 1375484087 /nfs/dbraw/zinc/48/40/87/1375484087.db2.gz CCYVIYLXGJQARK-FXAWDEMLSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1)[NH+]1CCCC1 ZINC001227900179 1375489303 /nfs/dbraw/zinc/48/93/03/1375489303.db2.gz JJALUBIWFFCDOZ-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228039449 1375509090 /nfs/dbraw/zinc/50/90/90/1375509090.db2.gz GYUGXXZPEHGMEU-LJQANCHMSA-N 2 0 345.531 3.449 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001228254995 1375534907 /nfs/dbraw/zinc/53/49/07/1375534907.db2.gz MJHDTPFIEAATLW-AJAZOWGGSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001228261869 1375536768 /nfs/dbraw/zinc/53/67/68/1375536768.db2.gz OCRCUEGDOQNMOO-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCC[NH2+]CCCC1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790610 1375566181 /nfs/dbraw/zinc/56/61/81/1375566181.db2.gz IOJCYTGBGCLNSP-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415996 1375568985 /nfs/dbraw/zinc/56/89/85/1375568985.db2.gz XTJMBLFVAZUENP-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001228646509 1375626368 /nfs/dbraw/zinc/62/63/68/1375626368.db2.gz GWAQDGCJSYMDEW-OPQOLIRYSA-N 2 0 337.552 3.027 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C(C)C ZINC001228852969 1375694306 /nfs/dbraw/zinc/69/43/06/1375694306.db2.gz MEWAWNPBFREMEM-PJHKVULZSA-N 2 0 346.519 3.380 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001228932494 1375720235 /nfs/dbraw/zinc/72/02/35/1375720235.db2.gz OKKVLBAKXHPYIE-XOIGSVRCSA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001229172016 1375780907 /nfs/dbraw/zinc/78/09/07/1375780907.db2.gz TZDDKKAKXXNOQN-OEIFXAAASA-N 2 0 337.552 3.434 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C)C(C)C ZINC001229194503 1375785439 /nfs/dbraw/zinc/78/54/39/1375785439.db2.gz LMUUQQXAJMFLEZ-GUDVDZBRSA-N 2 0 337.552 3.336 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122487 1375787463 /nfs/dbraw/zinc/78/74/63/1375787463.db2.gz RNJJPMGNFYNVJR-ZWKOTPCHSA-N 2 0 339.568 3.085 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001229231612 1375790949 /nfs/dbraw/zinc/79/09/49/1375790949.db2.gz RPSLPRORWAHPLP-CSODTCANSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001229615292 1375865899 /nfs/dbraw/zinc/86/58/99/1375865899.db2.gz GJHDRUMACZHVTN-KURKYZTESA-N 2 0 341.515 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133261648 1375876515 /nfs/dbraw/zinc/87/65/15/1375876515.db2.gz BVOLERVPAVUFRZ-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133342047 1375932738 /nfs/dbraw/zinc/93/27/38/1375932738.db2.gz NGWDCUIJGRNBTQ-MJGOQNOKSA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133345456 1375933990 /nfs/dbraw/zinc/93/39/90/1375933990.db2.gz CJZIODNXPMIOFS-QUCCMNQESA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001230107779 1375944275 /nfs/dbraw/zinc/94/42/75/1375944275.db2.gz XSNANDTXWJHUOQ-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1F ZINC001230274803 1375980876 /nfs/dbraw/zinc/98/08/76/1375980876.db2.gz MKPBJAAYXDMAJJ-KFKAGJAMSA-N 2 0 349.494 3.244 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230377894 1376009501 /nfs/dbraw/zinc/00/95/01/1376009501.db2.gz CBBRCZBOCFWABV-RRFGBZISSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377905 1376010327 /nfs/dbraw/zinc/01/03/27/1376010327.db2.gz COSHXJQRWRVOCA-SFFCAUCYSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377917 1376011556 /nfs/dbraw/zinc/01/15/56/1376011556.db2.gz CYVLWTGYTNVBEY-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP Nc1[nH]c2ccc(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)cc2[nH+]1 ZINC001230515288 1376049141 /nfs/dbraw/zinc/04/91/41/1376049141.db2.gz ADKSGJQMNADJJP-OXFYSEKESA-N 2 0 348.450 3.435 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1)C(C)C ZINC001230611644 1376102307 /nfs/dbraw/zinc/10/23/07/1376102307.db2.gz WXFUNTGZWQMFHV-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1)[NH+](C)C ZINC001133966066 1376289992 /nfs/dbraw/zinc/28/99/92/1376289992.db2.gz VVSVCUIDRDRABB-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP Cc1ccc2nc(C3CC[NH+](Cc4cc5c[nH+]ccc5[nH]4)CC3)nn2c1 ZINC001232013562 1376382502 /nfs/dbraw/zinc/38/25/02/1376382502.db2.gz ACDBQBTVEHJVLA-UHFFFAOYSA-N 2 0 346.438 3.294 20 0 EGADRP CN(C[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1)C(=O)OC(C)(C)C ZINC001232017769 1376385354 /nfs/dbraw/zinc/38/53/54/1376385354.db2.gz WHYVIKJDAUAMNI-CQSZACIVSA-N 2 0 344.459 3.252 20 0 EGADRP COc1ccnc(Cl)c1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001232154771 1376409961 /nfs/dbraw/zinc/40/99/61/1376409961.db2.gz CPVRKHQPBSXIJT-UHFFFAOYSA-N 2 0 325.884 3.296 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnsc3)C[C@H]21 ZINC001232228138 1376420102 /nfs/dbraw/zinc/42/01/02/1376420102.db2.gz MRHPNSXVIMQXCF-BHIYHBOVSA-N 2 0 342.512 3.271 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134521103 1376575493 /nfs/dbraw/zinc/57/54/93/1376575493.db2.gz WERQRDPLCXRPNF-GJZGRUSLSA-N 2 0 337.533 3.262 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582900 1376607594 /nfs/dbraw/zinc/60/75/94/1376607594.db2.gz BGTVPVIQYHPUET-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134584147 1376608584 /nfs/dbraw/zinc/60/85/84/1376608584.db2.gz QWIZSPPWYJNELT-SJORKVTESA-N 2 0 345.531 3.106 20 0 EGADRP Clc1cncc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n1 ZINC001233448608 1376647896 /nfs/dbraw/zinc/64/78/96/1376647896.db2.gz XHRBBACQQCZWED-UHFFFAOYSA-N 2 0 346.862 3.211 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730036 1376682182 /nfs/dbraw/zinc/68/21/82/1376682182.db2.gz SCBYYZQNLIVDHB-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)[NH+]1CCCCCC1 ZINC001134757923 1376703605 /nfs/dbraw/zinc/70/36/05/1376703605.db2.gz UFSWZHBTAYFUFE-INWINEHPSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001134767040 1376709658 /nfs/dbraw/zinc/70/96/58/1376709658.db2.gz QCPIJXJZXRKKSV-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134781869 1376717033 /nfs/dbraw/zinc/71/70/33/1376717033.db2.gz BOGYIGKASNVGHK-DLBZAZTESA-N 2 0 348.535 3.217 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857533 1376757383 /nfs/dbraw/zinc/75/73/83/1376757383.db2.gz DZEDJBFFICILFS-QZTJIDSGSA-N 2 0 347.547 3.378 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1)[NH2+]CC1CCCCC1 ZINC001134892884 1376772705 /nfs/dbraw/zinc/77/27/05/1376772705.db2.gz QLROYQZPXGEJFH-CVEARBPZSA-N 2 0 342.487 3.401 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994669 1376833628 /nfs/dbraw/zinc/83/36/28/1376833628.db2.gz VEQATPNLHDCMMJ-JKSUJKDBSA-N 2 0 336.439 3.021 20 0 EGADRP Clc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC001235190465 1376857285 /nfs/dbraw/zinc/85/72/85/1376857285.db2.gz ISAVLFDSRHOKRB-SJORKVTESA-N 2 0 327.859 3.443 20 0 EGADRP FC(F)(F)Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339278 1376867933 /nfs/dbraw/zinc/86/79/33/1376867933.db2.gz FGJLEEDWEZOOQA-SNVBAGLBSA-N 2 0 334.769 3.280 20 0 EGADRP FC(F)(F)Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339271 1376868121 /nfs/dbraw/zinc/86/81/21/1376868121.db2.gz FGJLEEDWEZOOQA-JTQLQIEISA-N 2 0 334.769 3.280 20 0 EGADRP Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427711 1376870238 /nfs/dbraw/zinc/87/02/38/1376870238.db2.gz MYUGPYYZFKSVKR-UXHICEINSA-N 2 0 338.499 3.392 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC001235429758 1376870786 /nfs/dbraw/zinc/87/07/86/1376870786.db2.gz ZLHRXOFMJYBFMS-IAGOWNOFSA-N 2 0 347.503 3.020 20 0 EGADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001235430440 1376872427 /nfs/dbraw/zinc/87/24/27/1376872427.db2.gz SYVXDTPKHYCBIK-HUUCEWRRSA-N 2 0 336.863 3.280 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1)[NH+](C)C ZINC001235589835 1376877061 /nfs/dbraw/zinc/87/70/61/1376877061.db2.gz VBJYRXSTRIIWKF-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076351 1376880984 /nfs/dbraw/zinc/88/09/84/1376880984.db2.gz AOMAGLZSOPMAKJ-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP Clc1cnc2[nH]ccc2c1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702339 1376884557 /nfs/dbraw/zinc/88/45/57/1376884557.db2.gz SKPSAEJAEGJFAM-UHFFFAOYSA-N 2 0 332.879 3.380 20 0 EGADRP c1ccc(N2CCCC2)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235702450 1376884591 /nfs/dbraw/zinc/88/45/91/1376884591.db2.gz VDRLVUZHWAXJKI-UHFFFAOYSA-N 2 0 327.516 3.498 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1)[NH2+]Cc1ccccc1 ZINC001135082262 1376884639 /nfs/dbraw/zinc/88/46/39/1376884639.db2.gz ZUZYSHJXZVDWBX-MSOLQXFVSA-N 2 0 345.531 3.324 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101016 1376898062 /nfs/dbraw/zinc/89/80/62/1376898062.db2.gz HSRZLYJIQJOPKN-ZVYLKZBJSA-N 2 0 343.943 3.124 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102316 1376899398 /nfs/dbraw/zinc/89/93/98/1376899398.db2.gz YNMCILVDNMIUGA-MSOLQXFVSA-N 2 0 347.547 3.467 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101951 1376899484 /nfs/dbraw/zinc/89/94/84/1376899484.db2.gz UNFXUBVHYIGGCO-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(F)nc1C ZINC001235817650 1376899658 /nfs/dbraw/zinc/89/96/58/1376899658.db2.gz PXYNIDORPDXQKM-UHFFFAOYSA-N 2 0 338.515 3.015 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2)cc1 ZINC001235883812 1376910143 /nfs/dbraw/zinc/91/01/43/1376910143.db2.gz PSZHWPDKQMQEFB-RBBKRZOGSA-N 3 0 341.543 3.363 20 0 EGADRP Fc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1N1CCCC1 ZINC001235887123 1376911725 /nfs/dbraw/zinc/91/17/25/1376911725.db2.gz CVHUXDYNDATLDF-LJQANCHMSA-N 2 0 331.479 3.390 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236252900 1376946433 /nfs/dbraw/zinc/94/64/33/1376946433.db2.gz BXJBANBJEMBUED-QHCPKHFHSA-N 2 0 349.522 3.429 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180465 1376953621 /nfs/dbraw/zinc/95/36/21/1376953621.db2.gz HUJIOCPBVPVOFW-HZPDHXFCSA-N 2 0 349.494 3.073 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001135180028 1376953729 /nfs/dbraw/zinc/95/37/29/1376953729.db2.gz CDRRPJBOVDQOFG-CVEARBPZSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccc2c(c1)OCO2 ZINC001236662132 1376960387 /nfs/dbraw/zinc/96/03/87/1376960387.db2.gz INEFNRXBWAGNSM-UHFFFAOYSA-N 2 0 330.453 3.145 20 0 EGADRP Cc1cc(N(C)C)ncc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001241249977 1377019711 /nfs/dbraw/zinc/01/97/11/1377019711.db2.gz CBDAGJFOWSUYSJ-UHFFFAOYSA-N 2 0 338.499 3.294 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001135298060 1377026203 /nfs/dbraw/zinc/02/62/03/1377026203.db2.gz KGBAKFYSWJEJKC-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135298140 1377026442 /nfs/dbraw/zinc/02/64/42/1377026442.db2.gz LAWQYXQZHQIOQR-HOTGVXAUSA-N 2 0 337.508 3.264 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135307702 1377029011 /nfs/dbraw/zinc/02/90/11/1377029011.db2.gz HWYNWNZPKZBUOO-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135314515 1377033389 /nfs/dbraw/zinc/03/33/89/1377033389.db2.gz CAUUCWOZLSJZSN-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246158232 1377050331 /nfs/dbraw/zinc/05/03/31/1377050331.db2.gz UGGONCMKTCUBIQ-PWRODBHTSA-N 2 0 330.516 3.392 20 0 EGADRP NCC[N@H+]([C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246292375 1377051240 /nfs/dbraw/zinc/05/12/40/1377051240.db2.gz VYBRPPAIQOANRP-ATUZJQTBSA-N 2 0 331.548 3.138 20 0 EGADRP CCOC(=O)C[C@H]([NH2+]C1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC001246292769 1377051269 /nfs/dbraw/zinc/05/12/69/1377051269.db2.gz QJKOEPGIHNCTLI-FDYSRKEFSA-N 2 0 330.472 3.193 20 0 EGADRP CC[NH+](CC)CC[C@H](C)[NH2+]CC1(Cc2cccc(F)c2)CC[NH2+]CC1 ZINC001246380894 1377051625 /nfs/dbraw/zinc/05/16/25/1377051625.db2.gz ZAXNEQWRPQMCTN-SFHVURJKSA-N 3 0 349.538 3.448 20 0 EGADRP c1nc(C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)cc(OCC2CCC2)n1 ZINC001246382194 1377051699 /nfs/dbraw/zinc/05/16/99/1377051699.db2.gz AQXNUUJNBACLOE-UHFFFAOYSA-N 2 0 344.503 3.058 20 0 EGADRP CC(C)[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC[NH2+]1 ZINC001246728026 1377053549 /nfs/dbraw/zinc/05/35/49/1377053549.db2.gz JNUWRLHUFFZZPV-MTQWCTHYSA-N 2 0 341.499 3.033 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755223 1377054228 /nfs/dbraw/zinc/05/42/28/1377054228.db2.gz HSXINISIGMDDPD-SJORKVTESA-N 2 0 333.545 3.177 20 0 EGADRP C[C@@H]1CC[C@H]([NH3+])CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246819992 1377055060 /nfs/dbraw/zinc/05/50/60/1377055060.db2.gz HIHNUXSCURNAEC-KPACCLEDSA-N 2 0 327.516 3.384 20 0 EGADRP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246821067 1377055397 /nfs/dbraw/zinc/05/53/97/1377055397.db2.gz ICLMPKCWXDEFAJ-LWYYNNOASA-N 2 0 327.516 3.112 20 0 EGADRP Fc1cccc(CN([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001246937509 1377056308 /nfs/dbraw/zinc/05/63/08/1377056308.db2.gz PJPHGQFWFHNAJL-WOJBJXKFSA-N 2 0 345.506 3.302 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001135379031 1377063819 /nfs/dbraw/zinc/06/38/19/1377063819.db2.gz OIRHTWSHCYVQPA-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(Cl)s1 ZINC001135436814 1377096913 /nfs/dbraw/zinc/09/69/13/1377096913.db2.gz ARSFLZWRTZAJSB-UHFFFAOYSA-N 2 0 345.940 3.119 20 0 EGADRP [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254373266 1377103368 /nfs/dbraw/zinc/10/33/68/1377103368.db2.gz ZVWVZZIBSBAQAT-MRXNPFEDSA-N 2 0 342.405 3.220 20 0 EGADRP CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254529241 1377107057 /nfs/dbraw/zinc/10/70/57/1377107057.db2.gz FKVGWRMHKJJEDM-IAGOWNOFSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)C(C)C ZINC001135474084 1377109977 /nfs/dbraw/zinc/10/99/77/1377109977.db2.gz GOBXETMUAFIAGD-VQTJNVASSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1)[NH2+]CC1CCCCC1 ZINC001135476195 1377110586 /nfs/dbraw/zinc/11/05/86/1377110586.db2.gz JFMIYGWXCAPALF-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1C)C(C)C ZINC001135478152 1377111866 /nfs/dbraw/zinc/11/18/66/1377111866.db2.gz WRFQTCUFOWBIEA-MJGOQNOKSA-N 2 0 333.520 3.128 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135480330 1377112134 /nfs/dbraw/zinc/11/21/34/1377112134.db2.gz ASZOQDGABKNEPR-DLBZAZTESA-N 2 0 327.557 3.418 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614755 1377163261 /nfs/dbraw/zinc/16/32/61/1377163261.db2.gz ZTJYIAKTTKZFMK-HZPDHXFCSA-N 2 0 337.552 3.027 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135691630 1377185505 /nfs/dbraw/zinc/18/55/05/1377185505.db2.gz XTTVNSUISVTQTK-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135743532 1377198993 /nfs/dbraw/zinc/19/89/93/1377198993.db2.gz LUTRBTKAYRWQFL-HOTGVXAUSA-N 2 0 345.487 3.148 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135743534 1377199270 /nfs/dbraw/zinc/19/92/70/1377199270.db2.gz LUTRBTKAYRWQFL-JKSUJKDBSA-N 2 0 345.487 3.148 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135746434 1377200307 /nfs/dbraw/zinc/20/03/07/1377200307.db2.gz HNPQYVFESKDWLP-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001135824610 1377222505 /nfs/dbraw/zinc/22/25/05/1377222505.db2.gz VCKFSKOIJRHXNG-SJORKVTESA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266246866 1377245400 /nfs/dbraw/zinc/24/54/00/1377245400.db2.gz XVLPPFKQLAVSEB-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001266282590 1377258367 /nfs/dbraw/zinc/25/83/67/1377258367.db2.gz IIJKEVNZOVSVKV-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCCC[NH+](C)C ZINC001135973839 1377282329 /nfs/dbraw/zinc/28/23/29/1377282329.db2.gz DPAGNJNSIYBKKC-DLBZAZTESA-N 2 0 327.557 3.418 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135977790 1377284793 /nfs/dbraw/zinc/28/47/93/1377284793.db2.gz ZFUQWTQHKILWNO-HOTGVXAUSA-N 2 0 345.487 3.148 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135980536 1377286341 /nfs/dbraw/zinc/28/63/41/1377286341.db2.gz PPMKDANNEWQZOO-SJORKVTESA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135995673 1377292326 /nfs/dbraw/zinc/29/23/26/1377292326.db2.gz JFOJGHIIPBUVRG-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCCC(C)(C)C)C2)c1 ZINC001266361000 1377295766 /nfs/dbraw/zinc/29/57/66/1377295766.db2.gz HKNFPDTUHNWHRZ-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc2nccnc2c1 ZINC001137091303 1377476143 /nfs/dbraw/zinc/47/61/43/1377476143.db2.gz VSVQFPGXDWQFCB-UHFFFAOYSA-N 2 0 329.407 3.448 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+]1[C@H](C)CC[C@H]1C ZINC001137992903 1377660406 /nfs/dbraw/zinc/66/04/06/1377660406.db2.gz TVZPCNPYGJOUEU-KFWWJZLASA-N 2 0 327.472 3.364 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC001272179181 1377660409 /nfs/dbraw/zinc/66/04/09/1377660409.db2.gz ZJDWGBXSGYOQPU-HXUWFJFHSA-N 2 0 345.531 3.087 20 0 EGADRP CCn1nc(C)c(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138642651 1377761005 /nfs/dbraw/zinc/76/10/05/1377761005.db2.gz ITVCOVMTIZNEDA-CALCHBBNSA-N 2 0 344.528 3.145 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)cc1 ZINC001138768990 1377782341 /nfs/dbraw/zinc/78/23/41/1377782341.db2.gz HBBDHMFAMBWZKW-UHFFFAOYSA-N 2 0 326.431 3.494 20 0 EGADRP COc1ccc(CC[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001138772445 1377782351 /nfs/dbraw/zinc/78/23/51/1377782351.db2.gz NLCIOJVFLXWXQR-UHFFFAOYSA-N 2 0 342.483 3.310 20 0 EGADRP c1cc2cc(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)ccc2o1 ZINC001138823172 1377792058 /nfs/dbraw/zinc/79/20/58/1377792058.db2.gz QVQBTESKODBKPJ-KDURUIRLSA-N 2 0 333.435 3.392 20 0 EGADRP CCn1ccc2ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc21 ZINC001139124920 1377833907 /nfs/dbraw/zinc/83/39/07/1377833907.db2.gz WHQDOEPRDOKRDO-UHFFFAOYSA-N 2 0 344.547 3.367 20 0 EGADRP C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc3cc(Br)ccc3[nH]1)C2 ZINC001139186779 1377846195 /nfs/dbraw/zinc/84/61/95/1377846195.db2.gz ZRUOBXJTTJQEGG-CXAGYDPISA-N 2 0 348.288 3.314 20 0 EGADRP CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139355857 1377872643 /nfs/dbraw/zinc/87/26/43/1377872643.db2.gz CGXFAAUBJKLXKW-FQEVSTJZSA-N 2 0 341.455 3.428 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[NH+]1CCCCCC1 ZINC001139362009 1377874289 /nfs/dbraw/zinc/87/42/89/1377874289.db2.gz SGNJWOQMFCJFLR-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001140513628 1378076863 /nfs/dbraw/zinc/07/68/63/1378076863.db2.gz BCIRWOHGBXMBJC-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C\CCCCC[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273134760 1378089986 /nfs/dbraw/zinc/08/99/86/1378089986.db2.gz KRPXESLAQPFECJ-PRPIBZDOSA-N 2 0 335.536 3.142 20 0 EGADRP Cc1ccc(F)cc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001140590468 1378090926 /nfs/dbraw/zinc/09/09/26/1378090926.db2.gz HPOFTHPUIHMOIR-RTBURBONSA-N 2 0 325.431 3.093 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001276492583 1378175952 /nfs/dbraw/zinc/17/59/52/1378175952.db2.gz WMJSZYFZZPCFPW-FGZHOGPDSA-N 2 0 341.543 3.459 20 0 EGADRP CCOc1cc(OC)ccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277123092 1378205431 /nfs/dbraw/zinc/20/54/31/1378205431.db2.gz WULMKHRPBWDSBR-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC001141039706 1378216881 /nfs/dbraw/zinc/21/68/81/1378216881.db2.gz VVJGSDHNJVPJEX-UHFFFAOYSA-N 2 0 330.472 3.012 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001141117214 1378243742 /nfs/dbraw/zinc/24/37/42/1378243742.db2.gz XLGVHSKHZOCMLC-MSOLQXFVSA-N 2 0 325.431 3.271 20 0 EGADRP CC(C)CC[NH+]1CCC2(C=C(C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC001278175006 1378260837 /nfs/dbraw/zinc/26/08/37/1378260837.db2.gz ARZIGPCAWFVXAL-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278450661 1378271093 /nfs/dbraw/zinc/27/10/93/1378271093.db2.gz RTKWSPIEPQVTLT-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH+](CC)CC)cc1 ZINC001141585112 1378346274 /nfs/dbraw/zinc/34/62/74/1378346274.db2.gz IOMMBGKCLGBOLY-RTBURBONSA-N 2 0 333.520 3.088 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2cc(F)ccc2n1 ZINC001141649165 1378357841 /nfs/dbraw/zinc/35/78/41/1378357841.db2.gz RBISDMOKYASHQO-UHFFFAOYSA-N 2 0 346.494 3.079 20 0 EGADRP CC[C@H](C(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001281499372 1378435420 /nfs/dbraw/zinc/43/54/20/1378435420.db2.gz AFSCQSMDVLDAJQ-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP Cn1cc2c(cccc2C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)n1 ZINC001142460791 1378444572 /nfs/dbraw/zinc/44/45/72/1378444572.db2.gz XFCRTQARHPQUIP-UHFFFAOYSA-N 2 0 326.488 3.127 20 0 EGADRP Cn1cc2c(cccc2C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001142464995 1378445062 /nfs/dbraw/zinc/44/50/62/1378445062.db2.gz JXZURLYXDAVUNC-ZWKOTPCHSA-N 2 0 326.488 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001142623354 1378465774 /nfs/dbraw/zinc/46/57/74/1378465774.db2.gz ZKNZRGXNKWUWBG-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(C)c1 ZINC001142949654 1378515401 /nfs/dbraw/zinc/51/54/01/1378515401.db2.gz MDBFQXVQKQJNCD-UHFFFAOYSA-N 2 0 325.456 3.338 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(OC(F)(F)F)ccc1F)CC2 ZINC001143550369 1378615489 /nfs/dbraw/zinc/61/54/89/1378615489.db2.gz KMDJBOCSJKHZFM-UHFFFAOYSA-N 2 0 332.341 3.252 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144418640 1378728948 /nfs/dbraw/zinc/72/89/48/1378728948.db2.gz KUTXQFGWACLOBP-UHFFFAOYSA-N 2 0 341.846 3.242 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001146533855 1378861100 /nfs/dbraw/zinc/86/11/00/1378861100.db2.gz HRGPPPSDARLEES-IRXDYDNUSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1C ZINC001146593896 1378873405 /nfs/dbraw/zinc/87/34/05/1378873405.db2.gz RDFMGBRRELMANL-QZTJIDSGSA-N 2 0 333.520 3.017 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146613164 1378877693 /nfs/dbraw/zinc/87/76/93/1378877693.db2.gz RMCVZMWNMXJCAN-ROUUACIJSA-N 2 0 335.536 3.236 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001147358332 1379008504 /nfs/dbraw/zinc/00/85/04/1379008504.db2.gz GFLBUJWMZNDMSO-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001147359192 1379009397 /nfs/dbraw/zinc/00/93/97/1379009397.db2.gz NPOHRLBGEUAODY-LJQANCHMSA-N 2 0 335.536 3.237 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001283721576 1379143544 /nfs/dbraw/zinc/14/35/44/1379143544.db2.gz JENUVNSRUQWMHP-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C)cc1 ZINC001148360441 1379156655 /nfs/dbraw/zinc/15/66/55/1379156655.db2.gz VBTXKZZUASJCMB-KRWDZBQOSA-N 2 0 333.520 3.309 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386679 1379161547 /nfs/dbraw/zinc/16/15/47/1379161547.db2.gz YMORYJYOOUHWLF-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001148833565 1379279130 /nfs/dbraw/zinc/27/91/30/1379279130.db2.gz ALNPLSHLFYCIEI-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001327925913 1388625310 /nfs/dbraw/zinc/62/53/10/1388625310.db2.gz PZNADZMKJZOIGP-FXAWDEMLSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001152393586 1379925873 /nfs/dbraw/zinc/92/58/73/1379925873.db2.gz QAGSXROVBOYDAU-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001152432566 1379933562 /nfs/dbraw/zinc/93/35/62/1379933562.db2.gz LCNMOZYWVMYQAH-MRXNPFEDSA-N 2 0 333.520 3.091 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001152458379 1379936918 /nfs/dbraw/zinc/93/69/18/1379936918.db2.gz OLUPCFWFCQWTLQ-XLIONFOSSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC001152471626 1379939940 /nfs/dbraw/zinc/93/99/40/1379939940.db2.gz NBRBOMQZVYHMJF-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC001152470442 1379940016 /nfs/dbraw/zinc/94/00/16/1379940016.db2.gz AMXKQVHCIGAZES-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CCc1cccc(C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C)c1 ZINC001284604311 1380004743 /nfs/dbraw/zinc/00/47/43/1380004743.db2.gz PNCZPJTXZJRKFM-MOPGFXCFSA-N 2 0 347.547 3.210 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313503 1380054234 /nfs/dbraw/zinc/05/42/34/1380054234.db2.gz UBLBAOAQBDKUGW-MJGOQNOKSA-N 2 0 335.536 3.186 20 0 EGADRP CCc1nccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C ZINC001153445739 1380078280 /nfs/dbraw/zinc/07/82/80/1380078280.db2.gz IHYIPERJCUMNTC-IAGOWNOFSA-N 2 0 336.524 3.269 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819091 1380136186 /nfs/dbraw/zinc/13/61/86/1380136186.db2.gz NDIRZKWVUKBGBR-MSOLQXFVSA-N 2 0 343.531 3.216 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990933 1380172297 /nfs/dbraw/zinc/17/22/97/1380172297.db2.gz YBQJWHBKGDRCRN-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116297 1380211934 /nfs/dbraw/zinc/21/19/34/1380211934.db2.gz GSJQVZNQYRVMMB-KXPUMZMLSA-N 2 0 342.487 3.439 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178429 1380222196 /nfs/dbraw/zinc/22/21/96/1380222196.db2.gz IUQIWWNQCAMPGD-MRXNPFEDSA-N 2 0 342.487 3.355 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464098 1380282586 /nfs/dbraw/zinc/28/25/86/1380282586.db2.gz DFRWOOWRKZTDRQ-QGZVFWFLSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2CCCC2)C1 ZINC001154784849 1380350658 /nfs/dbraw/zinc/35/06/58/1380350658.db2.gz NHCATHSQEKYQRO-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888595 1380373021 /nfs/dbraw/zinc/37/30/21/1380373021.db2.gz SJYBRGGXGWZIOC-OAHLLOKOSA-N 2 0 337.508 3.218 20 0 EGADRP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226654 1380426808 /nfs/dbraw/zinc/42/68/08/1380426808.db2.gz MDZIBAFJGYVIBC-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255275 1380429521 /nfs/dbraw/zinc/42/95/21/1380429521.db2.gz PQGXRNDDZFEQQJ-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCCC1)[NH+](C)C ZINC001155289110 1380433649 /nfs/dbraw/zinc/43/36/49/1380433649.db2.gz KCJGVKIFMDMDLP-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP Cc1ccc2c(c1)[C@H](Nc1ncc(C)cc1C[NH3+])CC21CC[NH2+]CC1 ZINC001155442071 1380454151 /nfs/dbraw/zinc/45/41/51/1380454151.db2.gz IPVFYLZGYXBKRD-LJQANCHMSA-N 2 0 336.483 3.335 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631550 1380476603 /nfs/dbraw/zinc/47/66/03/1380476603.db2.gz STJYKARMUUDIMU-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP [NH2+]=C(Nc1ccc(N2CC[NH2+]CC2)cn1)C12CC3CC(CC(C3)C1)C2 ZINC001155962259 1380508336 /nfs/dbraw/zinc/50/83/36/1380508336.db2.gz FJIRTLNYVNAYFL-UHFFFAOYSA-N 2 0 339.487 3.097 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428385 1380574916 /nfs/dbraw/zinc/57/49/16/1380574916.db2.gz MVRSARAOQIQJAX-DLBZAZTESA-N 2 0 348.535 3.270 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1cc(C)cc(C)c1 ZINC001156510108 1380586111 /nfs/dbraw/zinc/58/61/11/1380586111.db2.gz HVXJTEWWAWQVOY-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)CC(C)C ZINC001156516972 1380587326 /nfs/dbraw/zinc/58/73/26/1380587326.db2.gz KXSRWXCOBIWSRE-QZTJIDSGSA-N 2 0 327.557 3.227 20 0 EGADRP CC1(C)CC([NH3+])CC(C)(C)N1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001156773954 1380631808 /nfs/dbraw/zinc/63/18/08/1380631808.db2.gz PBXRGFZERFPJJV-UHFFFAOYSA-N 2 0 346.519 3.041 20 0 EGADRP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156967489 1380738895 /nfs/dbraw/zinc/73/88/95/1380738895.db2.gz ZGTHWMQHHATZDB-JLAWEPINSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098570 1380775206 /nfs/dbraw/zinc/77/52/06/1380775206.db2.gz MDILUOVFIMILGC-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112864 1380778601 /nfs/dbraw/zinc/77/86/01/1380778601.db2.gz BCQKWXPYVQTEEO-OAHLLOKOSA-N 2 0 339.911 3.007 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001157241395 1380821863 /nfs/dbraw/zinc/82/18/63/1380821863.db2.gz PXQWQVFNSCTMKF-MRXNPFEDSA-N 2 0 337.508 3.362 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255053 1380824678 /nfs/dbraw/zinc/82/46/78/1380824678.db2.gz AARSJHOIZKSYFX-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256266 1380825444 /nfs/dbraw/zinc/82/54/44/1380825444.db2.gz ROGPRKFUEMKYTP-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[NH+](C)[C@@H]3C2)nc1 ZINC001157281262 1380831755 /nfs/dbraw/zinc/83/17/55/1380831755.db2.gz DZFRGJHXGWWVEL-GUDVDZBRSA-N 2 0 328.504 3.159 20 0 EGADRP [NH3+]C1CCN(c2cccc(N[C@@H]3C[C@H]3c3ccc(F)c(F)c3)[nH+]2)CC1 ZINC001157301778 1380837219 /nfs/dbraw/zinc/83/72/19/1380837219.db2.gz QVKODLRZSHIABY-WMLDXEAASA-N 2 0 344.409 3.255 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158061551 1381117308 /nfs/dbraw/zinc/11/73/08/1381117308.db2.gz NTFXVIMDCRQFRZ-RBUKOAKNSA-N 2 0 337.552 3.362 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158328902 1381201755 /nfs/dbraw/zinc/20/17/55/1381201755.db2.gz DUHGYFKOXPYRJX-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccc(F)cc1 ZINC001158412589 1381236652 /nfs/dbraw/zinc/23/66/52/1381236652.db2.gz QEACVHLPIINVRZ-GBESFXJTSA-N 2 0 349.494 3.103 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158473917 1381258114 /nfs/dbraw/zinc/25/81/14/1381258114.db2.gz QEGFABPCMYESGT-ZYHOBAKYSA-N 2 0 335.536 3.140 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001158549344 1381292661 /nfs/dbraw/zinc/29/26/61/1381292661.db2.gz CMBVNFZABYAIDD-RBUKOAKNSA-N 2 0 337.552 3.364 20 0 EGADRP C[NH+]1CCC(N(c2nccc3c(F)cccc32)C2CC[NH2+]CC2)CC1 ZINC001158580284 1381307793 /nfs/dbraw/zinc/30/77/93/1381307793.db2.gz ATMXDHGIVQYFEU-UHFFFAOYSA-N 2 0 342.462 3.027 20 0 EGADRP Cc1cccc2c1ccnc2N(C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001158580677 1381308067 /nfs/dbraw/zinc/30/80/67/1381308067.db2.gz JBSPGFYXIPCWGF-UHFFFAOYSA-N 2 0 338.499 3.196 20 0 EGADRP Cc1cc(Cl)c(C)c(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)n1 ZINC001158580301 1381308138 /nfs/dbraw/zinc/30/81/38/1381308138.db2.gz CAMXNLPJQWSPEL-UHFFFAOYSA-N 2 0 336.911 3.004 20 0 EGADRP Cc1cc(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)nc2ccccc12 ZINC001158581420 1381308719 /nfs/dbraw/zinc/30/87/19/1381308719.db2.gz SCRIYRDLLPPEOM-UHFFFAOYSA-N 2 0 338.499 3.196 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC ZINC001158605222 1381316644 /nfs/dbraw/zinc/31/66/44/1381316644.db2.gz QNOZAZZLIMPKGE-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704134 1381359950 /nfs/dbraw/zinc/35/99/50/1381359950.db2.gz DIQTWONGHDZSIO-OLHLWXQYSA-N 2 0 337.552 3.388 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763622 1381388175 /nfs/dbraw/zinc/38/81/75/1381388175.db2.gz HCTYFSWVVOFANJ-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768285 1381391522 /nfs/dbraw/zinc/39/15/22/1381391522.db2.gz REKJAZKTXVGIBD-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158853366 1381435018 /nfs/dbraw/zinc/43/50/18/1381435018.db2.gz ULABQMRYBSUYAI-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP c1ccc(Oc2c[nH+]ccc2Nc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001159114959 1381605408 /nfs/dbraw/zinc/60/54/08/1381605408.db2.gz BJEQQBFEDZKZJC-UHFFFAOYSA-N 2 0 346.434 3.449 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3cccc4c3CC[NH2+]C4)cc2)CC1 ZINC001159449702 1381796844 /nfs/dbraw/zinc/79/68/44/1381796844.db2.gz LDWDZYFAQRNETF-UHFFFAOYSA-N 2 0 336.483 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001159908751 1381934667 /nfs/dbraw/zinc/93/46/67/1381934667.db2.gz JVELLMUQWHRZQN-QFBILLFUSA-N 2 0 349.494 3.246 20 0 EGADRP O=C(NCCC[NH2+]CC1CC2(CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159915240 1381936103 /nfs/dbraw/zinc/93/61/03/1381936103.db2.gz HYGSFEDBDAYTKW-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1)C1CCC1 ZINC001159997609 1381963537 /nfs/dbraw/zinc/96/35/37/1381963537.db2.gz UFFNTUAOFUSURE-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360255 1382082691 /nfs/dbraw/zinc/08/26/91/1382082691.db2.gz MJXLCEDNOCOAEB-XLIONFOSSA-N 2 0 349.563 3.147 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359933 1382082808 /nfs/dbraw/zinc/08/28/08/1382082808.db2.gz GOJPOKCGQGCZBD-FQEVSTJZSA-N 2 0 347.547 3.332 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2=CC[N@H+](CCC(C)(C)C)CC2)CCC1 ZINC001160360741 1382083801 /nfs/dbraw/zinc/08/38/01/1382083801.db2.gz WHRUCSTZZJYUKM-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400201 1382094630 /nfs/dbraw/zinc/09/46/30/1382094630.db2.gz LENQWZUPHFKRHE-PKOBYXMFSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC001160479449 1382118814 /nfs/dbraw/zinc/11/88/14/1382118814.db2.gz WLWXLKWODCWCCE-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC001328491576 1388763267 /nfs/dbraw/zinc/76/32/67/1388763267.db2.gz GWCGNRBCACIZJW-UHFFFAOYSA-N 2 0 340.467 3.321 20 0 EGADRP Cc1cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc2cc(Cl)ccc12 ZINC001160514885 1382127587 /nfs/dbraw/zinc/12/75/87/1382127587.db2.gz ZMUIHPXFMDAKMJ-GOSISDBHSA-N 2 0 330.863 3.032 20 0 EGADRP COc1cccc2c1c(C[NH3+])cn2-c1ncccc1C[NH+]1CCCC1 ZINC001160764688 1382189979 /nfs/dbraw/zinc/18/99/79/1382189979.db2.gz LBJROQIEJKAVAD-UHFFFAOYSA-N 2 0 336.439 3.089 20 0 EGADRP CC(C)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778429 1382193910 /nfs/dbraw/zinc/19/39/10/1382193910.db2.gz NEGFZTDANGWXNA-UHFFFAOYSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC001160889107 1382225639 /nfs/dbraw/zinc/22/56/39/1382225639.db2.gz CUARHSQAWVDZMQ-IAGOWNOFSA-N 2 0 339.911 3.227 20 0 EGADRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001161088578 1382294324 /nfs/dbraw/zinc/29/43/24/1382294324.db2.gz CHTQLTZHBPDULV-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP c1cc(C[NH+]2CCC(Nc3cc(N4CCCC4)cc[nH+]3)CC2)ccn1 ZINC001161103489 1382297815 /nfs/dbraw/zinc/29/78/15/1382297815.db2.gz DTEDTIJPILMPQA-UHFFFAOYSA-N 2 0 337.471 3.153 20 0 EGADRP c1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ncc1C[NH+]1CCCC1 ZINC001161187429 1382332931 /nfs/dbraw/zinc/33/29/31/1382332931.db2.gz OZZNCRSYQUOBBT-IBGZPJMESA-N 2 0 328.504 3.354 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001161251514 1382354148 /nfs/dbraw/zinc/35/41/48/1382354148.db2.gz QVGHVRFYHWRTRG-UHFFFAOYSA-N 2 0 341.499 3.166 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001161524857 1382430358 /nfs/dbraw/zinc/43/03/58/1382430358.db2.gz OWRYJEJWEBAPOD-FGTMMUONSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]CC2CCCCCC2)ccc2c[nH+]cn21 ZINC001161563743 1382439825 /nfs/dbraw/zinc/43/98/25/1382439825.db2.gz GEZIEFXTFJAVTI-UHFFFAOYSA-N 2 0 342.487 3.323 20 0 EGADRP CC(C)(c1ccnc(Cl)c1)N1CCC([NH3+])(c2cccnc2)CC1 ZINC001161588012 1382447947 /nfs/dbraw/zinc/44/79/47/1382447947.db2.gz RQCZGXUEVRAEAW-UHFFFAOYSA-N 2 0 330.863 3.315 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704536 1382485070 /nfs/dbraw/zinc/48/50/70/1382485070.db2.gz CDMXIQOHMRPICB-VQTJNVASSA-N 2 0 347.547 3.211 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)C1 ZINC001161704661 1382485464 /nfs/dbraw/zinc/48/54/64/1382485464.db2.gz DMDRNWJNNJVWLM-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)C1 ZINC001161704944 1382486023 /nfs/dbraw/zinc/48/60/23/1382486023.db2.gz MEPPSXJCVQYMNQ-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001161873145 1382535771 /nfs/dbraw/zinc/53/57/71/1382535771.db2.gz TXRBUPPGCALIIQ-INIZCTEOSA-N 2 0 336.439 3.113 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925180 1382556369 /nfs/dbraw/zinc/55/63/69/1382556369.db2.gz YLHZJJXLDQFLOF-ROUUACIJSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161952003 1382567623 /nfs/dbraw/zinc/56/76/23/1382567623.db2.gz AIQZRXXAUIGMMT-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)[NH+]1CCCC1 ZINC001161952027 1382567866 /nfs/dbraw/zinc/56/78/66/1382567866.db2.gz APBFHZHUPILRSO-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953018 1382568929 /nfs/dbraw/zinc/56/89/29/1382568929.db2.gz OPCYYRXDYYNSEA-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953011 1382569888 /nfs/dbraw/zinc/56/98/88/1382569888.db2.gz OKEOERNUJGBMAG-PKOBYXMFSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952659 1382570037 /nfs/dbraw/zinc/57/00/37/1382570037.db2.gz ICDUDGMXABHABU-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001162617327 1382810733 /nfs/dbraw/zinc/81/07/33/1382810733.db2.gz GPWHUDUHNLVUPX-SJORKVTESA-N 2 0 342.487 3.260 20 0 EGADRP CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001162924813 1382918458 /nfs/dbraw/zinc/91/84/58/1382918458.db2.gz UJMFDFPYBNKWHJ-HXUWFJFHSA-N 2 0 347.547 3.034 20 0 EGADRP CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001162959837 1382927880 /nfs/dbraw/zinc/92/78/80/1382927880.db2.gz CDIRHLVYQMJPSV-FQEVSTJZSA-N 2 0 347.547 3.034 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC2CCCCC2)CCCCC1 ZINC001163249087 1383005032 /nfs/dbraw/zinc/00/50/32/1383005032.db2.gz VPGVYSSQOVOKNT-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163291010 1383014080 /nfs/dbraw/zinc/01/40/80/1383014080.db2.gz XNHQKAAWWPPCBQ-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H](C)C1 ZINC001163371653 1383035751 /nfs/dbraw/zinc/03/57/51/1383035751.db2.gz RWRWPKSRQTUPOB-APWZRJJASA-N 3 0 346.519 3.085 20 0 EGADRP C[N@@H+]1CCN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H](c2ccccc2)C1 ZINC001163675167 1383102558 /nfs/dbraw/zinc/10/25/58/1383102558.db2.gz YGJYCPWUENBWNU-HXUWFJFHSA-N 2 0 336.483 3.171 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001163852224 1383129377 /nfs/dbraw/zinc/12/93/77/1383129377.db2.gz ZSZGDIRKLYSNAY-GOSISDBHSA-N 2 0 345.531 3.335 20 0 EGADRP Nc1cc[nH+]c2cc(NCc3cccnc3C3CC[NH2+]CC3)ccc12 ZINC001163914961 1383135303 /nfs/dbraw/zinc/13/53/03/1383135303.db2.gz MSVKWLRACHGCFJ-UHFFFAOYSA-N 2 0 333.439 3.291 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531363 1383196871 /nfs/dbraw/zinc/19/68/71/1383196871.db2.gz FVAIDJXGDMNDGY-MSOLQXFVSA-N 2 0 349.563 3.173 20 0 EGADRP [NH3+][C@H]1CCN(c2cccc(F)c2NC2=CC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC001165213397 1383249585 /nfs/dbraw/zinc/24/95/85/1383249585.db2.gz JESQIIPDJUPPHI-DOTOQJQBSA-N 2 0 344.478 3.307 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cc(F)ccc2O[C@H]2CC[NH2+]C2)c1 ZINC001165213540 1383249709 /nfs/dbraw/zinc/24/97/09/1383249709.db2.gz POQYQAZLGBMBQF-KRWDZBQOSA-N 2 0 329.419 3.372 20 0 EGADRP [NH3+][C@H]1CCN(c2c(F)cccc2NC2=CC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC001165213556 1383249814 /nfs/dbraw/zinc/24/98/14/1383249814.db2.gz ROVSEIPYPAHEMV-DOTOQJQBSA-N 2 0 344.478 3.307 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNc2cc(Br)cc3c[nH+]cn32)C1 ZINC001165299808 1383268744 /nfs/dbraw/zinc/26/87/44/1383268744.db2.gz DGHJUMGKUNSBLC-LBPRGKRZSA-N 2 0 337.265 3.241 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165331796 1383274704 /nfs/dbraw/zinc/27/47/04/1383274704.db2.gz CMMWHRGKLMNJBY-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001165471789 1383300235 /nfs/dbraw/zinc/30/02/35/1383300235.db2.gz AIWIOECCASKJJI-LJQANCHMSA-N 2 0 349.563 3.031 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165569346 1383311599 /nfs/dbraw/zinc/31/15/99/1383311599.db2.gz XAWDZYYTIGIENS-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001165777395 1383344338 /nfs/dbraw/zinc/34/43/38/1383344338.db2.gz RCXKHWHCEWTUTD-UHFFFAOYSA-N 2 0 345.531 3.008 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165967610 1383371713 /nfs/dbraw/zinc/37/17/13/1383371713.db2.gz DHTYQLSECDIIPG-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1sccc1Cl)[NH+](CC)CC ZINC001166425958 1383421141 /nfs/dbraw/zinc/42/11/41/1383421141.db2.gz XWKMQYBMBSMZNE-AWEZNQCLSA-N 2 0 345.940 3.118 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CCC1CCCCC1)[NH+](CC)CC ZINC001166439938 1383422725 /nfs/dbraw/zinc/42/27/25/1383422725.db2.gz MPNXUSASTUGEJX-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21)[NH+](CC)CC ZINC001166447645 1383423642 /nfs/dbraw/zinc/42/36/42/1383423642.db2.gz MLOHPEYGQKVCLX-RTBURBONSA-N 2 0 349.494 3.029 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]CCC1CCCCC1)CC(C)(C)C ZINC001166744149 1383469808 /nfs/dbraw/zinc/46/98/08/1383469808.db2.gz KCHYMEBWPFUGMH-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001166751437 1383471347 /nfs/dbraw/zinc/47/13/47/1383471347.db2.gz RHPPYMZIRJASDY-ZWKOTPCHSA-N 2 0 339.568 3.277 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001166787593 1383477494 /nfs/dbraw/zinc/47/74/94/1383477494.db2.gz SWQRZTPSHDPABR-LJQANCHMSA-N 2 0 349.563 3.175 20 0 EGADRP C[NH2+]Cc1cccc(Nc2nc(Cl)cc(C3CC[NH2+]CC3)n2)c1 ZINC001167032980 1383523955 /nfs/dbraw/zinc/52/39/55/1383523955.db2.gz OKHJSFWSBJLBMY-UHFFFAOYSA-N 2 0 331.851 3.060 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179848 1383559388 /nfs/dbraw/zinc/55/93/88/1383559388.db2.gz SYGBDIAAUMGRSQ-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccccc1F ZINC001328786849 1388864286 /nfs/dbraw/zinc/86/42/86/1388864286.db2.gz RGAFCUGLAUCAFS-SJORKVTESA-N 2 0 349.494 3.151 20 0 EGADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)CC(C)(C)C ZINC001167240971 1383573313 /nfs/dbraw/zinc/57/33/13/1383573313.db2.gz XVKJFAAYZPUHQK-UHFFFAOYSA-N 2 0 349.563 3.341 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001167260940 1383578005 /nfs/dbraw/zinc/57/80/05/1383578005.db2.gz RBEZLKHEKBSLQH-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP [NH3+]Cc1cnc2c(ccn2-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c1 ZINC001167311105 1383593149 /nfs/dbraw/zinc/59/31/49/1383593149.db2.gz BHPRKYIVWHICMF-UHFFFAOYSA-N 2 0 330.435 3.132 20 0 EGADRP C[C@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)[NH+]1CCCCCC1 ZINC001167385732 1383619325 /nfs/dbraw/zinc/61/93/25/1383619325.db2.gz QKGBFJLZTBHTNZ-JLAWEPINSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425058 1383629913 /nfs/dbraw/zinc/62/99/13/1383629913.db2.gz AAWXFPSRQDZEAI-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426318 1383630615 /nfs/dbraw/zinc/63/06/15/1383630615.db2.gz RQQLQYLEIBXCEI-ZWKOTPCHSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425762 1383630842 /nfs/dbraw/zinc/63/08/42/1383630842.db2.gz JODDEGIBZNWVFC-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001167484241 1383647142 /nfs/dbraw/zinc/64/71/42/1383647142.db2.gz ZZRJRGUNSWWIHT-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167522787 1383658119 /nfs/dbraw/zinc/65/81/19/1383658119.db2.gz FKTXPEUWEDUACL-WAYWQWQTSA-N 2 0 349.563 3.341 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627447 1383692566 /nfs/dbraw/zinc/69/25/66/1383692566.db2.gz OAMGHRWMPUNHKZ-AZUAARDMSA-N 2 0 345.531 3.415 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001167667844 1383705544 /nfs/dbraw/zinc/70/55/44/1383705544.db2.gz NINGUOVCYZMQNP-IBGZPJMESA-N 2 0 349.494 3.105 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001167737424 1383726263 /nfs/dbraw/zinc/72/62/63/1383726263.db2.gz SSDKWAIXRVDVTL-IBGZPJMESA-N 2 0 349.563 3.175 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001167812826 1383746236 /nfs/dbraw/zinc/74/62/36/1383746236.db2.gz WTWLFCUDRUTKAA-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC001167826875 1383750364 /nfs/dbraw/zinc/75/03/64/1383750364.db2.gz RQBCAQYAQDMZCX-GOSISDBHSA-N 2 0 346.519 3.347 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc(OC)ccn2)C1 ZINC001167833661 1383752904 /nfs/dbraw/zinc/75/29/04/1383752904.db2.gz CXPNKCWYWCQSLM-FUHWJXTLSA-N 2 0 335.492 3.054 20 0 EGADRP CCOC(=O)N1CCC([N@H+](C)[C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167837508 1383754675 /nfs/dbraw/zinc/75/46/75/1383754675.db2.gz LTGWONBTTSZGGU-MRXNPFEDSA-N 2 0 327.513 3.050 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001302477266 1383754804 /nfs/dbraw/zinc/75/48/04/1383754804.db2.gz QOUDCEUWKRTXEB-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccc(NC(=[NH2+])NCCCC[NH3+])cc1OCc1ccccc1 ZINC001167883143 1383765501 /nfs/dbraw/zinc/76/55/01/1383765501.db2.gz AHDAUYSJXWUSBU-UHFFFAOYSA-N 2 0 326.444 3.249 20 0 EGADRP c1ccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)nc1 ZINC001167995607 1383791694 /nfs/dbraw/zinc/79/16/94/1383791694.db2.gz KXUUVSPABZOLSX-DFNIBXOVSA-N 2 0 341.499 3.330 20 0 EGADRP Cc1cnc(CC[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168007362 1383795198 /nfs/dbraw/zinc/79/51/98/1383795198.db2.gz RTQXDNCQEKPICV-ROUUACIJSA-N 2 0 338.499 3.359 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009770 1383795923 /nfs/dbraw/zinc/79/59/23/1383795923.db2.gz IBRWFXNIONSBMX-KOUHRCEDSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H]1CC([NH2+]C2CCN(CCF)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168018325 1383797804 /nfs/dbraw/zinc/79/78/04/1383797804.db2.gz CUHUUSGWQRMNAZ-ROUUACIJSA-N 2 0 347.522 3.452 20 0 EGADRP C[C@H]1CC([NH2+]C[C@@H](O)c2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168020422 1383798413 /nfs/dbraw/zinc/79/84/13/1383798413.db2.gz NACARCKLUXGOOZ-XGHQBKJUSA-N 2 0 339.483 3.146 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccncc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168035048 1383801123 /nfs/dbraw/zinc/80/11/23/1383801123.db2.gz SIRIOWDSXZRLDZ-JWWGGVBKSA-N 2 0 339.483 3.146 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168047046 1383804642 /nfs/dbraw/zinc/80/46/42/1383804642.db2.gz QEHWZUGVQGXXSS-WQIFRTTPSA-N 3 0 341.543 3.312 20 0 EGADRP CCC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168058841 1383806790 /nfs/dbraw/zinc/80/67/90/1383806790.db2.gz CSMNWSVSYCVWHU-CEQLMSFQSA-N 2 0 329.532 3.456 20 0 EGADRP CC[N@@H+]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001168066274 1383809900 /nfs/dbraw/zinc/80/99/00/1383809900.db2.gz MOANYJOKLRZWTF-GBESFXJTSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001168142449 1383825454 /nfs/dbraw/zinc/82/54/54/1383825454.db2.gz CTKRSTFCUBDQIM-CWJKEVGVSA-N 2 0 328.500 3.398 20 0 EGADRP C[C@H](Cc1ccc(Cl)cc1)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001168155833 1383829099 /nfs/dbraw/zinc/82/90/99/1383829099.db2.gz HWDAXHDWQHPDFH-SECBINFHSA-N 2 0 330.910 3.155 20 0 EGADRP COc1ccc2c(c1)C[C@H](N(c1cc[nH+]cc1C)C1CC[NH2+]CC1)C2 ZINC001168291406 1383865134 /nfs/dbraw/zinc/86/51/34/1383865134.db2.gz LJHJTDCUBHKOOD-LJQANCHMSA-N 2 0 337.467 3.124 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168301756 1383867525 /nfs/dbraw/zinc/86/75/25/1383867525.db2.gz CHCKJRYEQOXNCQ-UHFFFAOYSA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001168305583 1383868521 /nfs/dbraw/zinc/86/85/21/1383868521.db2.gz OJTUUMUVEOMOFV-XBMUEBEBSA-N 2 0 335.923 3.377 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](C4CCC([NH+](C)C)CC4)C[C@@H]3C2)cc1 ZINC001168319280 1383871344 /nfs/dbraw/zinc/87/13/44/1383871344.db2.gz QKIWTZFYVOERQL-PHZLKFDYSA-N 3 0 341.543 3.231 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)Cc2cncc(Br)c2)CC1 ZINC001168319805 1383871893 /nfs/dbraw/zinc/87/18/93/1383871893.db2.gz ZJEORBJNXWQAPB-UHFFFAOYSA-N 2 0 326.282 3.149 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC3(CC2)OC(=O)c2ccccc23)CC1 ZINC001168324639 1383873141 /nfs/dbraw/zinc/87/31/41/1383873141.db2.gz SEIXXSBIEZVMDV-UHFFFAOYSA-N 2 0 328.456 3.021 20 0 EGADRP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168328299 1383873907 /nfs/dbraw/zinc/87/39/07/1383873907.db2.gz DPUOZUMPWZJDLL-IPJUCJBFSA-N 2 0 332.488 3.313 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328934 1383873965 /nfs/dbraw/zinc/87/39/65/1383873965.db2.gz MMKFRTCXDUYBRR-JTVPBKEVSA-N 3 0 341.543 3.313 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CNC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168352742 1383880500 /nfs/dbraw/zinc/88/05/00/1383880500.db2.gz BPQIOTZCGXFJPT-NRFANRHFSA-N 2 0 341.543 3.363 20 0 EGADRP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389419 1383893006 /nfs/dbraw/zinc/89/30/06/1383893006.db2.gz PIJFXAJYAXENGF-KRWDZBQOSA-N 2 0 344.499 3.315 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CCc4cc(F)ccc4C3)CC2)cc[nH+]1 ZINC001168447471 1383908571 /nfs/dbraw/zinc/90/85/71/1383908571.db2.gz DDHONJLEJRHSQT-IBGZPJMESA-N 2 0 325.431 3.209 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC2(C[NH2+]C(C)C)CC2)o1 ZINC001168454461 1383910297 /nfs/dbraw/zinc/91/02/97/1383910297.db2.gz HOWSQTGYWJEKAM-UHFFFAOYSA-N 2 0 335.492 3.020 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168591417 1383943746 /nfs/dbraw/zinc/94/37/46/1383943746.db2.gz VKXJMOYJXQBETP-UYAOXDASSA-N 2 0 332.488 3.237 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001168596461 1383944240 /nfs/dbraw/zinc/94/42/40/1383944240.db2.gz WWLVRFZWODMPGX-GOSISDBHSA-N 2 0 327.557 3.277 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168594810 1383944632 /nfs/dbraw/zinc/94/46/32/1383944632.db2.gz ALEGSCZTAJMFIX-CSKARUKUSA-N 2 0 325.541 3.341 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([N@H+](C)CCC[NH+]3CCCC3)CCO2)cc1 ZINC001168654848 1383959245 /nfs/dbraw/zinc/95/92/45/1383959245.db2.gz WJDRPTPRJCCFNR-AZUAARDMSA-N 2 0 332.488 3.333 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)C(C)C ZINC001168666925 1383964626 /nfs/dbraw/zinc/96/46/26/1383964626.db2.gz NCDOUDBSJFNFFJ-ZWKOTPCHSA-N 2 0 327.557 3.131 20 0 EGADRP C[NH+](C)CC(C)(C)CNc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001168767561 1383996584 /nfs/dbraw/zinc/99/65/84/1383996584.db2.gz FYAREUQRTADZBC-KRWDZBQOSA-N 2 0 343.519 3.351 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168825385 1384021069 /nfs/dbraw/zinc/02/10/69/1384021069.db2.gz SHTHMTPZIYRDBJ-NVXWUHKLSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3c[nH+]ccc32)CN1C(=O)OC(C)(C)C ZINC001168829486 1384022382 /nfs/dbraw/zinc/02/23/82/1384022382.db2.gz NTCDLXBARIVYQN-UKRRQHHQSA-N 2 0 344.459 3.108 20 0 EGADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CN1C(=O)OC(C)(C)C ZINC001168840313 1384028769 /nfs/dbraw/zinc/02/87/69/1384028769.db2.gz ULWVGCSHDIIKHV-BRWVUGGUSA-N 2 0 339.524 3.225 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(-n3cnc4ccc(C[NH3+])cc43)c(C)c2)CC1 ZINC001168841348 1384030334 /nfs/dbraw/zinc/03/03/34/1384030334.db2.gz SRKRJARAJWXRBL-UHFFFAOYSA-N 2 0 347.466 3.297 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169095303 1384106178 /nfs/dbraw/zinc/10/61/78/1384106178.db2.gz OYLUSCZRMVHEFR-NSGFAUEGSA-N 2 0 349.519 3.132 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099550 1384107420 /nfs/dbraw/zinc/10/74/20/1384107420.db2.gz BCTCMUKIAARBJO-ZSHCYNCHSA-N 2 0 327.472 3.257 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3c(F)cccc3F)CC1)C2 ZINC001169109468 1384108857 /nfs/dbraw/zinc/10/88/57/1384108857.db2.gz IWNXNGWJUQMJHA-OSYLJGHBSA-N 2 0 349.469 3.144 20 0 EGADRP COC(=O)CCC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124450 1384110313 /nfs/dbraw/zinc/11/03/13/1384110313.db2.gz CTYHTNRPIARVML-BWTSREIZSA-N 2 0 330.472 3.067 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169144614 1384113764 /nfs/dbraw/zinc/11/37/64/1384113764.db2.gz KQFMLHMNPCGXAW-PCCRXHMLSA-N 2 0 334.504 3.054 20 0 EGADRP CC[NH+]1CCC([NH2+]Cc2ccc(OCC3CCOCC3)cc2)CC1 ZINC001169241651 1384126390 /nfs/dbraw/zinc/12/63/90/1384126390.db2.gz YAJXIICIUQMPHV-UHFFFAOYSA-N 2 0 332.488 3.066 20 0 EGADRP CCN1CCC([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241338 1384126539 /nfs/dbraw/zinc/12/65/39/1384126539.db2.gz VMMCUZJUOZFCLE-WGSAOQKQSA-N 2 0 333.495 3.382 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@H](C)C3)C[C@@H]2C)C1 ZINC001169511529 1384155501 /nfs/dbraw/zinc/15/55/01/1384155501.db2.gz WIYPPXMGCJGXKP-OPJUNPOJSA-N 2 0 349.563 3.155 20 0 EGADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169728341 1384179055 /nfs/dbraw/zinc/17/90/55/1384179055.db2.gz KTKLZJMJDUQIPX-SFHVURJKSA-N 2 0 343.515 3.272 20 0 EGADRP C1=CC[C@@H](C[NH+]2CCC([NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)CC1 ZINC001169937177 1384201769 /nfs/dbraw/zinc/20/17/69/1384201769.db2.gz VJCFFWVWALNXHW-IEBWSBKVSA-N 2 0 334.504 3.082 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CCCC(C)(C)C)CC1 ZINC001169948091 1384201972 /nfs/dbraw/zinc/20/19/72/1384201972.db2.gz JUMHODNSZVSTAE-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001170233889 1384272338 /nfs/dbraw/zinc/27/23/38/1384272338.db2.gz RNTPDLOQWHJTQT-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001170420841 1384314316 /nfs/dbraw/zinc/31/43/16/1384314316.db2.gz NIHFZZOCEUGETH-QGZVFWFLSA-N 2 0 332.488 3.446 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2ccc3c(C4C[NH2+]C4)ncn3c2)CC1(C)C ZINC001170451345 1384322588 /nfs/dbraw/zinc/32/25/88/1384322588.db2.gz UBTIEDMECIIHMD-UHFFFAOYSA-N 2 0 341.503 3.084 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2cc(O[C@@H]3CCOC3)cc[nH+]2)CC1(C)C ZINC001170453384 1384322885 /nfs/dbraw/zinc/32/28/85/1384322885.db2.gz KBNMPDMWJAWBHA-MRXNPFEDSA-N 2 0 333.476 3.313 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001170503990 1384330377 /nfs/dbraw/zinc/33/03/77/1384330377.db2.gz ZMRAMAQBTVIWEE-LTFPLMDUSA-N 2 0 342.483 3.113 20 0 EGADRP CCCCCC[C@@H](CC)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001170598404 1384347094 /nfs/dbraw/zinc/34/70/94/1384347094.db2.gz HVOTYRDBFVJINT-GOSISDBHSA-N 2 0 348.535 3.260 20 0 EGADRP [NH3+]Cc1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)ccn1 ZINC001170648721 1384355909 /nfs/dbraw/zinc/35/59/09/1384355909.db2.gz ZZRKERBONRLKEW-LNHIOMRXSA-N 2 0 336.483 3.173 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170750503 1384378432 /nfs/dbraw/zinc/37/84/32/1384378432.db2.gz KWANUXQDPZLBTK-ZWKOTPCHSA-N 2 0 325.541 3.314 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C ZINC001170785087 1384384556 /nfs/dbraw/zinc/38/45/56/1384384556.db2.gz NSMRCFKEBAWYNN-HXUWFJFHSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170794273 1384386810 /nfs/dbraw/zinc/38/68/10/1384386810.db2.gz CGKIDBPJDVRDIG-ZWKOTPCHSA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCCC[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001170819644 1384391247 /nfs/dbraw/zinc/39/12/47/1384391247.db2.gz NARKJPADYXVNHF-OAQYLSRUSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCCC[NH2+]CCCC1CCC1)c1ccccc1 ZINC001170828636 1384393467 /nfs/dbraw/zinc/39/34/67/1384393467.db2.gz FIISTJLUCXIOPQ-OAQYLSRUSA-N 2 0 345.531 3.140 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862584 1384400887 /nfs/dbraw/zinc/40/08/87/1384400887.db2.gz OSEXUWJRICKEFL-ZHALLVOQSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861331 1384400992 /nfs/dbraw/zinc/40/09/92/1384400992.db2.gz COWFVWACECCFTO-KZNAEPCWSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861953 1384401004 /nfs/dbraw/zinc/40/10/04/1384401004.db2.gz ISGIXCVXJBALKC-LZLYRXPVSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]CC1CC(C)(C)C1)c1ccccc1 ZINC001170867381 1384401292 /nfs/dbraw/zinc/40/12/92/1384401292.db2.gz GAKZOPYYPHHREU-LJQANCHMSA-N 2 0 345.531 3.212 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CC1CCCC1 ZINC001170876153 1384403165 /nfs/dbraw/zinc/40/31/65/1384403165.db2.gz DIVKBJHURNCEME-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001170879477 1384403973 /nfs/dbraw/zinc/40/39/73/1384403973.db2.gz XXFXNGYWXFBUGQ-YSIASYRMSA-N 2 0 349.563 3.482 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171031065 1384433109 /nfs/dbraw/zinc/43/31/09/1384433109.db2.gz SALZWFHEHMIWMY-JYJNAYRXSA-N 2 0 334.891 3.168 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001171069761 1384441153 /nfs/dbraw/zinc/44/11/53/1384441153.db2.gz USHAGJBQNOESEO-ZWKOTPCHSA-N 2 0 345.547 3.367 20 0 EGADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171172514 1384459949 /nfs/dbraw/zinc/45/99/49/1384459949.db2.gz OVEXRWDMOBXZDA-QLFBSQMISA-N 2 0 325.283 3.344 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001171226661 1384473658 /nfs/dbraw/zinc/47/36/58/1384473658.db2.gz JBOHOUPBYQXSJM-QZTJIDSGSA-N 2 0 345.531 3.309 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001171235655 1384476662 /nfs/dbraw/zinc/47/66/62/1384476662.db2.gz IGRDSXSYHBFJQP-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238923 1384477096 /nfs/dbraw/zinc/47/70/96/1384477096.db2.gz ZUKKASHXRASPQI-KRWDZBQOSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171245966 1384477575 /nfs/dbraw/zinc/47/75/75/1384477575.db2.gz CMCOSARPYFGWSK-MJGOQNOKSA-N 2 0 337.552 3.458 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248650 1384478410 /nfs/dbraw/zinc/47/84/10/1384478410.db2.gz WWXSDLZWZVLUPF-VQIMIIECSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248382 1384478432 /nfs/dbraw/zinc/47/84/32/1384478432.db2.gz UAJQCVOSQCJLRF-LPHOPBHVSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260472 1384480994 /nfs/dbraw/zinc/48/09/94/1384480994.db2.gz ITRLFYXDKGYDCF-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP CCCCc1nc(C)cc(NCc2ccccc2N2CC[NH2+]CC2)n1 ZINC001171281985 1384485093 /nfs/dbraw/zinc/48/50/93/1384485093.db2.gz VYBVJCXLZYHHGT-UHFFFAOYSA-N 2 0 339.487 3.149 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001316624785 1384490082 /nfs/dbraw/zinc/49/00/82/1384490082.db2.gz OJXVOZGFAXAQRL-AKHDSKFASA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171359404 1384501918 /nfs/dbraw/zinc/50/19/18/1384501918.db2.gz RCUMPTPGOJWKLF-QUCCMNQESA-N 2 0 347.547 3.346 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001171359489 1384502274 /nfs/dbraw/zinc/50/22/74/1384502274.db2.gz RTNDALOPMDPIKJ-MJGOQNOKSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C[NH2+]CC2CC2)C1 ZINC001316702627 1384530070 /nfs/dbraw/zinc/53/00/70/1384530070.db2.gz MCNLIQLUXZJZFG-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509088 1384545639 /nfs/dbraw/zinc/54/56/39/1384545639.db2.gz LXYGKIRFYSGVES-VZSQWMKGSA-N 2 0 349.563 3.483 20 0 EGADRP COC1CC[NH+](C2CC[NH+]([C@@H]3CCc4c(C)cccc4C3)CC2)CC1 ZINC001171580247 1384570826 /nfs/dbraw/zinc/57/08/26/1384570826.db2.gz UIMWKSLWAIIUDI-HXUWFJFHSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1ccccc1Cl ZINC001171585414 1384572275 /nfs/dbraw/zinc/57/22/75/1384572275.db2.gz SITXLKYVYHEJNJ-HNNXBMFYSA-N 2 0 339.911 3.229 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC[C@@H]2COc3ccccc3O2)CC1(C)C ZINC001171629698 1384585871 /nfs/dbraw/zinc/58/58/71/1384585871.db2.gz COJASLJNJMAVLW-MRXNPFEDSA-N 2 0 332.488 3.458 20 0 EGADRP C[NH+]1C(C)(C)CC(N(c2ccc(F)cn2)C2CC[NH2+]CC2)CC1(C)C ZINC001171641263 1384589365 /nfs/dbraw/zinc/58/93/65/1384589365.db2.gz NWCKSEWIGCPQFE-UHFFFAOYSA-N 2 0 348.510 3.431 20 0 EGADRP CCC[N@H+](C1CCN(C(C)=O)CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643927 1384590419 /nfs/dbraw/zinc/59/04/19/1384590419.db2.gz YEGYSLKRVLINSG-UHFFFAOYSA-N 2 0 337.552 3.361 20 0 EGADRP CCCCC[NH+]1CCN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171761330 1384627445 /nfs/dbraw/zinc/62/74/45/1384627445.db2.gz CZAOOPFZELUQDT-FPOVZHCZSA-N 2 0 329.532 3.457 20 0 EGADRP C[NH2+]CCc1c(C)nn([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC001171759846 1384628100 /nfs/dbraw/zinc/62/81/00/1384628100.db2.gz NPXUPOABXRALOJ-KXBFYZLASA-N 2 0 326.488 3.097 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931883 1384686766 /nfs/dbraw/zinc/68/67/66/1384686766.db2.gz XDKAUSHTVLUZDB-QGZVFWFLSA-N 2 0 325.541 3.316 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171963543 1384697403 /nfs/dbraw/zinc/69/74/03/1384697403.db2.gz IBFZKKXPYXPMCO-HXUWFJFHSA-N 3 0 329.532 3.361 20 0 EGADRP CC1(C)C[C@@H](N(CC[NH3+])c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171982490 1384701933 /nfs/dbraw/zinc/70/19/33/1384701933.db2.gz JALYSKXBLVPSIV-IBGZPJMESA-N 2 0 338.499 3.290 20 0 EGADRP C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]12 ZINC001171985928 1384703870 /nfs/dbraw/zinc/70/38/70/1384703870.db2.gz DJFSTRGFXXNERQ-GSEOLPGOSA-N 2 0 328.500 3.396 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983184 1384703993 /nfs/dbraw/zinc/70/39/93/1384703993.db2.gz VSUVKKQDZDUTQL-HKBOAZHASA-N 3 0 341.543 3.313 20 0 EGADRP CN1CC2(C1)CC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987133 1384706713 /nfs/dbraw/zinc/70/67/13/1384706713.db2.gz PFOFVFWQEXUHKG-IBGZPJMESA-N 2 0 327.516 3.067 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062759 1384714751 /nfs/dbraw/zinc/71/47/51/1384714751.db2.gz RXCWPCMPFTVOFC-PLACYPQZSA-N 2 0 327.516 3.256 20 0 EGADRP Cc1cnc(CC[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061600 1384715362 /nfs/dbraw/zinc/71/53/62/1384715362.db2.gz HTSQQGACRWUFPM-ACDBMABISA-N 2 0 338.499 3.451 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CC4(COC4)C2)C3)cc1 ZINC001172066484 1384717258 /nfs/dbraw/zinc/71/72/58/1384717258.db2.gz XXIOHDQYOCGPRA-FNLKRUPLSA-N 2 0 326.484 3.341 20 0 EGADRP COC(=O)c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC001172104939 1384727859 /nfs/dbraw/zinc/72/78/59/1384727859.db2.gz FBAGDFSHRRKPDM-QKDCVEJESA-N 2 0 336.863 3.232 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCCC3=O)cc1)C2 ZINC001172112109 1384729939 /nfs/dbraw/zinc/72/99/39/1384729939.db2.gz RPPHLJKAVOTTNR-VJDPLVQDSA-N 2 0 341.499 3.308 20 0 EGADRP COC(C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)OC ZINC001172121328 1384734069 /nfs/dbraw/zinc/73/40/69/1384734069.db2.gz PLPWASORLRJFDJ-BWTSREIZSA-N 2 0 332.488 3.123 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121646 1384735026 /nfs/dbraw/zinc/73/50/26/1384735026.db2.gz RQOQNOVQYRYNPN-CLWJZODNSA-N 2 0 349.519 3.087 20 0 EGADRP COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128886 1384738105 /nfs/dbraw/zinc/73/81/05/1384738105.db2.gz VHPDVJZCLHFWBJ-AJYBTWMASA-N 2 0 346.515 3.454 20 0 EGADRP CN(C)C[C@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)C12CC3CC(CC(C3)C1)C2 ZINC001172236179 1384753437 /nfs/dbraw/zinc/75/34/37/1384753437.db2.gz HLCVENGFGNXCFD-KCUCDVLQSA-N 2 0 330.516 3.209 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001172325342 1384770269 /nfs/dbraw/zinc/77/02/69/1384770269.db2.gz UNTFGHDYIHGTTD-OALUTQOASA-N 2 0 348.531 3.197 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001172334834 1384772617 /nfs/dbraw/zinc/77/26/17/1384772617.db2.gz JCHJHLXAYCOXIH-SJORKVTESA-N 2 0 326.525 3.061 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)N(c1cc(OC)cc[nH+]1)C1CC[NH2+]CC1 ZINC001172363032 1384778085 /nfs/dbraw/zinc/77/80/85/1384778085.db2.gz ZRRINSXEIWVFHV-CVEARBPZSA-N 2 0 335.492 3.242 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172799134 1384854417 /nfs/dbraw/zinc/85/44/17/1384854417.db2.gz DJOPXWRKAZBIKN-AYHJJNSGSA-N 2 0 349.519 3.014 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001172800561 1384854558 /nfs/dbraw/zinc/85/45/58/1384854558.db2.gz YSROHFQBQVJRGW-DOTOQJQBSA-N 2 0 340.483 3.007 20 0 EGADRP CC(C)[NH+]1CCN(CC[NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172818467 1384858038 /nfs/dbraw/zinc/85/80/38/1384858038.db2.gz NEMCLNJVFPTWQN-UHFFFAOYSA-N 2 0 343.559 3.404 20 0 EGADRP [NH3+]CCCCN1CC[NH+](C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172821236 1384859001 /nfs/dbraw/zinc/85/90/01/1384859001.db2.gz OFAQJOOWNZYNAY-UHFFFAOYSA-N 2 0 329.532 3.144 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172857984 1384866921 /nfs/dbraw/zinc/86/69/21/1384866921.db2.gz AUGUIHXJYRYXBZ-CQSZACIVSA-N 2 0 341.902 3.026 20 0 EGADRP CO[C@H]1CCC[C@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)C1 ZINC001172914353 1384877086 /nfs/dbraw/zinc/87/70/86/1384877086.db2.gz BMKRVPQWWPGPJW-GJZGRUSLSA-N 2 0 326.506 3.122 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001172946952 1384886183 /nfs/dbraw/zinc/88/61/83/1384886183.db2.gz BBNJBPNZGWJLGE-HNNXBMFYSA-N 2 0 339.524 3.238 20 0 EGADRP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172953179 1384888459 /nfs/dbraw/zinc/88/84/59/1384888459.db2.gz ZGJNJHORCAKOGQ-IVAOSVALSA-N 2 0 328.500 3.398 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172965214 1384891779 /nfs/dbraw/zinc/89/17/79/1384891779.db2.gz YZEYRARLXGMLNV-SJORKVTESA-N 2 0 341.540 3.473 20 0 EGADRP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001173081963 1384910098 /nfs/dbraw/zinc/91/00/98/1384910098.db2.gz HZSOAFGNJZTYHC-HIFRSBDPSA-N 2 0 330.394 3.448 20 0 EGADRP CCCOC1CCC([NH+]2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)CC1 ZINC001173099432 1384914389 /nfs/dbraw/zinc/91/43/89/1384914389.db2.gz CPKVJJMOUDAIJC-SKINQDTJSA-N 2 0 338.536 3.299 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC1 ZINC001173108261 1384916333 /nfs/dbraw/zinc/91/63/33/1384916333.db2.gz IASQIJHAQLBYRC-UHFFFAOYSA-N 2 0 348.510 3.386 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC001173111368 1384916761 /nfs/dbraw/zinc/91/67/61/1384916761.db2.gz CCUNYWWQHUQBNY-XEVCZEQESA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H]([C@H](N)C(F)(F)F)C2)CC1 ZINC001173109754 1384917106 /nfs/dbraw/zinc/91/71/06/1384917106.db2.gz GFCGOOUUGBNLKQ-LMPOIIKSSA-N 2 0 335.458 3.241 20 0 EGADRP CC[NH+](CC)C1CCC(N(c2ccc(F)cn2)C2CC[NH2+]CC2)CC1 ZINC001173113679 1384917926 /nfs/dbraw/zinc/91/79/26/1384917926.db2.gz KHILBLHBWAXRPS-UHFFFAOYSA-N 2 0 348.510 3.432 20 0 EGADRP CCc1ccc(C[C@H](C)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC001173245701 1384944693 /nfs/dbraw/zinc/94/46/93/1384944693.db2.gz URDHVIZGXAEUAO-YJBOKZPZSA-N 2 0 349.519 3.359 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC([NH+](CC)CC)CC1)CC2 ZINC001173616436 1384988795 /nfs/dbraw/zinc/98/87/95/1384988795.db2.gz RJVVVCBEDWSRKE-IPCDKGFNSA-N 2 0 336.520 3.305 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001173621607 1384990157 /nfs/dbraw/zinc/99/01/57/1384990157.db2.gz YUBBFGWXUQKZCP-PMACEKPBSA-N 2 0 344.499 3.494 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CCc2ccc(C[NH+](C)C)cc2)C1 ZINC001173629669 1384992288 /nfs/dbraw/zinc/99/22/88/1384992288.db2.gz CGZKIXFTKJXTPT-RBUKOAKNSA-N 2 0 332.488 3.002 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@](C)(C[NH3+])C1 ZINC001173660637 1384998176 /nfs/dbraw/zinc/99/81/76/1384998176.db2.gz ZPLJVFXSLTXOQS-HOCLYGCPSA-N 2 0 335.458 3.146 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001317220860 1385001599 /nfs/dbraw/zinc/00/15/99/1385001599.db2.gz MRIXBXFENQFJBI-MNNVXMFVSA-N 2 0 349.494 3.246 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001173929357 1385032423 /nfs/dbraw/zinc/03/24/23/1385032423.db2.gz CMHHVTGIHUZANM-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP CC(C)Oc1cccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001174113048 1385060927 /nfs/dbraw/zinc/06/09/27/1385060927.db2.gz QRKPUPMQECPQJV-UHFFFAOYSA-N 2 0 326.444 3.364 20 0 EGADRP C[C@@H](CCNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001317404569 1385118191 /nfs/dbraw/zinc/11/81/91/1385118191.db2.gz XCRRJALWIFDYCR-HNAYVOBHSA-N 2 0 349.494 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001317448473 1385148637 /nfs/dbraw/zinc/14/86/37/1385148637.db2.gz MWSYUBBZABCRAS-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928934 1385171364 /nfs/dbraw/zinc/17/13/64/1385171364.db2.gz NDCDIMPZPCLEIA-HZPDHXFCSA-N 2 0 337.508 3.266 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)c1ccccc1 ZINC001174960143 1385174947 /nfs/dbraw/zinc/17/49/47/1385174947.db2.gz FDUNCUWNIUOUHH-ZWKOTPCHSA-N 2 0 333.520 3.354 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H]1CCCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001175047816 1385186113 /nfs/dbraw/zinc/18/61/13/1385186113.db2.gz CQJJZDBNSUPLAQ-FXAWDEMLSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175055831 1385187245 /nfs/dbraw/zinc/18/72/45/1385187245.db2.gz IACVWPIPPHJAHM-SFHVURJKSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001175056909 1385187426 /nfs/dbraw/zinc/18/74/26/1385187426.db2.gz QPTPYDIWQVODPO-QZTJIDSGSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255042 1385229785 /nfs/dbraw/zinc/22/97/85/1385229785.db2.gz BVVXYNWRABVVRP-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256892 1385230897 /nfs/dbraw/zinc/23/08/97/1385230897.db2.gz PVZJCEMHQJPUIP-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001317533493 1385262431 /nfs/dbraw/zinc/26/24/31/1385262431.db2.gz VZWYSXVAJLZLOW-GOSISDBHSA-N 2 0 345.531 3.090 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001175574530 1385336561 /nfs/dbraw/zinc/33/65/61/1385336561.db2.gz XOFZPBUKCMJZHA-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001317675762 1385381700 /nfs/dbraw/zinc/38/17/00/1385381700.db2.gz MYIRQUVCGVUJSC-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001317678779 1385387030 /nfs/dbraw/zinc/38/70/30/1385387030.db2.gz YGSRSZJFALTSPQ-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001175747814 1385394768 /nfs/dbraw/zinc/39/47/68/1385394768.db2.gz UHLFHAIMUVTJGE-MSOLQXFVSA-N 2 0 327.557 3.418 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175768756 1385399761 /nfs/dbraw/zinc/39/97/61/1385399761.db2.gz NITASHWGJQUMGK-BBVFFXRHSA-N 2 0 325.541 3.339 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001175786361 1385405710 /nfs/dbraw/zinc/40/57/10/1385405710.db2.gz JVFTZRAZVKTBGG-QZTJIDSGSA-N 2 0 333.520 3.354 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1)CC(C)(C)C ZINC001317722885 1385423834 /nfs/dbraw/zinc/42/38/34/1385423834.db2.gz BFISDFNGZIVBBW-IBGZPJMESA-N 2 0 345.531 3.212 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176024474 1385463885 /nfs/dbraw/zinc/46/38/85/1385463885.db2.gz OPICHMNLKUEOBN-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176024805 1385463969 /nfs/dbraw/zinc/46/39/69/1385463969.db2.gz SFIMHAKBCZWDED-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(Nc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC001176195505 1385508703 /nfs/dbraw/zinc/50/87/03/1385508703.db2.gz BOAPOLWLGKNSCU-UHFFFAOYSA-N 2 0 338.455 3.258 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176269248 1385532377 /nfs/dbraw/zinc/53/23/77/1385532377.db2.gz SSENIKYOWSVFPJ-LJQANCHMSA-N 2 0 347.547 3.492 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176269741 1385533222 /nfs/dbraw/zinc/53/32/22/1385533222.db2.gz XAGOTLXLGYXYDQ-INIZCTEOSA-N 2 0 339.549 3.245 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001176286413 1385540124 /nfs/dbraw/zinc/54/01/24/1385540124.db2.gz VNNPPWWZFDQUFS-LJQANCHMSA-N 2 0 347.547 3.144 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001317856906 1385541717 /nfs/dbraw/zinc/54/17/17/1385541717.db2.gz KPXXQRNXOHUKRS-ICSRJNTNSA-N 2 0 345.531 3.260 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+]CCCC1CCCC1 ZINC001176318352 1385550325 /nfs/dbraw/zinc/55/03/25/1385550325.db2.gz MEOCYQXOAFIOFV-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001317879441 1385557860 /nfs/dbraw/zinc/55/78/60/1385557860.db2.gz DPOTYNQGWXBHDF-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)CCn1cc(Nc2ccccc2C[NH+]2CCCCC2)cn1 ZINC001176447850 1385590212 /nfs/dbraw/zinc/59/02/12/1385590212.db2.gz WDWSOPLDFJVFBR-UHFFFAOYSA-N 2 0 327.476 3.174 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001176574995 1385630390 /nfs/dbraw/zinc/63/03/90/1385630390.db2.gz XOEPFYBJVQKMOG-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H](CCCC[NH2+][C@H]1CCc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001176582564 1385631606 /nfs/dbraw/zinc/63/16/06/1385631606.db2.gz HPEOJZKDIGTTLC-XLIONFOSSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176592220 1385635842 /nfs/dbraw/zinc/63/58/42/1385635842.db2.gz XGTODMLZKWSQDM-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001176628667 1385643052 /nfs/dbraw/zinc/64/30/52/1385643052.db2.gz NFWFABGIYXHEJS-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176753727 1385683753 /nfs/dbraw/zinc/68/37/53/1385683753.db2.gz LRXWROPNSKOCFK-RTBURBONSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754870 1385685262 /nfs/dbraw/zinc/68/52/62/1385685262.db2.gz ZTIOHBWBTVOBCK-IBGZPJMESA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948195 1385751362 /nfs/dbraw/zinc/75/13/62/1385751362.db2.gz KDWAMDXPXANBNS-KRWDZBQOSA-N 2 0 333.520 3.140 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001176996771 1385768357 /nfs/dbraw/zinc/76/83/57/1385768357.db2.gz CPINEKYWOXLUQD-ICSRJNTNSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176999517 1385768984 /nfs/dbraw/zinc/76/89/84/1385768984.db2.gz ZDWZDMAJRSDWHX-UYAOXDASSA-N 2 0 345.531 3.272 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC001176998811 1385769201 /nfs/dbraw/zinc/76/92/01/1385769201.db2.gz GDKLSXWEXSEQKU-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177266438 1385889504 /nfs/dbraw/zinc/88/95/04/1385889504.db2.gz HMVNOALJXLHYCT-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345032 1385922273 /nfs/dbraw/zinc/92/22/73/1385922273.db2.gz JQMPMDHCKNXSFS-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001177406255 1385945572 /nfs/dbraw/zinc/94/55/72/1385945572.db2.gz SRERUAKSVGTRJO-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001177440682 1385958492 /nfs/dbraw/zinc/95/84/92/1385958492.db2.gz PKKSSBQKMQLYHY-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001177445893 1385959440 /nfs/dbraw/zinc/95/94/40/1385959440.db2.gz RXFVLRXXNNTNIB-IBGZPJMESA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282267 1386041329 /nfs/dbraw/zinc/04/13/29/1386041329.db2.gz JLJKQNUILPOBBB-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001698626774 1406268978 /nfs/dbraw/zinc/26/89/78/1406268978.db2.gz OOYFAGBZLGFIBZ-RCCFBDPRSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+][C@H](C)c2cccc(C)c2)CCCC1)[NH+](C)C ZINC001698631742 1406275608 /nfs/dbraw/zinc/27/56/08/1406275608.db2.gz SUHCAOAEFMDZAU-IEBWSBKVSA-N 2 0 345.531 3.415 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001319588901 1386192155 /nfs/dbraw/zinc/19/21/55/1386192155.db2.gz GDKWDBAJQBGJLB-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001698635142 1406280154 /nfs/dbraw/zinc/28/01/54/1406280154.db2.gz ZBEXMCWFKWVWFA-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178688241 1386277677 /nfs/dbraw/zinc/27/76/77/1386277677.db2.gz IFAJOONJSZQNPI-LJQANCHMSA-N 2 0 339.568 3.277 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178688477 1386278063 /nfs/dbraw/zinc/27/80/63/1386278063.db2.gz JTLBFSCCNBMAAJ-GOSISDBHSA-N 2 0 325.541 3.031 20 0 EGADRP O=C(NCCCCCC[NH2+]CCCF)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001178692990 1386280033 /nfs/dbraw/zinc/28/00/33/1386280033.db2.gz GECXOBXMFCKJAH-GOSISDBHSA-N 2 0 341.515 3.019 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001178693390 1386280048 /nfs/dbraw/zinc/28/00/48/1386280048.db2.gz PKQYNBXGIPNBNH-QRVBRYPASA-N 2 0 349.563 3.173 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1CCC1 ZINC001178701978 1386283435 /nfs/dbraw/zinc/28/34/35/1386283435.db2.gz HPJSMQPDWXBNNL-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178833607 1386321908 /nfs/dbraw/zinc/32/19/08/1386321908.db2.gz YRSWIIALLQFJOO-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925851 1386351012 /nfs/dbraw/zinc/35/10/12/1386351012.db2.gz KYEAHLTYVHLEAA-OJUCNMNVSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)c1ccn2c[nH+]cc2c1 ZINC001178947452 1386358035 /nfs/dbraw/zinc/35/80/35/1386358035.db2.gz YJZRNRZHCGGQGT-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP O=C(NCCCCCC[NH2+]CCCCCF)c1ccc2c[nH+]cn2c1 ZINC001179026022 1386380512 /nfs/dbraw/zinc/38/05/12/1386380512.db2.gz HJDQCAYAGITUHI-UHFFFAOYSA-N 2 0 348.466 3.354 20 0 EGADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001319919740 1386391588 /nfs/dbraw/zinc/39/15/88/1386391588.db2.gz XBDKSFWRVJKHMX-HNAYVOBHSA-N 2 0 349.494 3.101 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179134654 1386407192 /nfs/dbraw/zinc/40/71/92/1386407192.db2.gz PYGGQIAKAOSKPX-HXUWFJFHSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179134701 1386407345 /nfs/dbraw/zinc/40/73/45/1386407345.db2.gz RMRJLKFDCGHSDJ-IBGZPJMESA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179392856 1386474019 /nfs/dbraw/zinc/47/40/19/1386474019.db2.gz NDNRKIWRULPYGV-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001179464317 1386488603 /nfs/dbraw/zinc/48/86/03/1386488603.db2.gz QFEAPOATELKHFX-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC(C)C)[C@@H]1C)[NH+](CC)CC ZINC001179525845 1386506275 /nfs/dbraw/zinc/50/62/75/1386506275.db2.gz SERNPURPXZJDIH-BZSNNMDCSA-N 2 0 325.541 3.122 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001179557181 1386513781 /nfs/dbraw/zinc/51/37/81/1386513781.db2.gz CDOPKJXVMDWPPU-HOTGVXAUSA-N 2 0 334.508 3.142 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)[NH+](CC)CC ZINC001179565217 1386516211 /nfs/dbraw/zinc/51/62/11/1386516211.db2.gz NBHXWEYQIQUZPW-SJORKVTESA-N 2 0 331.520 3.121 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179585458 1386524013 /nfs/dbraw/zinc/52/40/13/1386524013.db2.gz IFTAMWUGUFTUIY-ROUUACIJSA-N 2 0 339.568 3.277 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C)c1ccc(F)cc1 ZINC001179744221 1386569696 /nfs/dbraw/zinc/56/96/96/1386569696.db2.gz IMVYNWOGUSBPBG-SNRMKQJTSA-N 2 0 349.494 3.198 20 0 EGADRP O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179792604 1386587732 /nfs/dbraw/zinc/58/77/32/1386587732.db2.gz TWFMBNUEXUMYTJ-ANDZVCCMSA-N 2 0 341.927 3.022 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCCCCC[NH2+]CC1CC1)C(C)C ZINC001179842855 1386604341 /nfs/dbraw/zinc/60/43/41/1386604341.db2.gz BHOWUSHEVVYQMB-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001179850838 1386607810 /nfs/dbraw/zinc/60/78/10/1386607810.db2.gz NRFUONMGHSGNJH-SFHVURJKSA-N 2 0 327.557 3.277 20 0 EGADRP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)CC1 ZINC001179864178 1386610788 /nfs/dbraw/zinc/61/07/88/1386610788.db2.gz URDNZABOPDJZBG-FQEVSTJZSA-N 2 0 346.515 3.408 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968100 1386652061 /nfs/dbraw/zinc/65/20/61/1386652061.db2.gz MIDRNTXZVNYSAZ-JEVOJNTISA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967498 1386652231 /nfs/dbraw/zinc/65/22/31/1386652231.db2.gz CSXNCTFGHWFJMJ-BJLQDIEVSA-N 2 0 345.531 3.367 20 0 EGADRP C[C@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC001179967800 1386652257 /nfs/dbraw/zinc/65/22/57/1386652257.db2.gz JGGYKCISCZWLPS-DOQDTIJOSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001320571319 1386653962 /nfs/dbraw/zinc/65/39/62/1386653962.db2.gz WDCAKXWFSIJSOM-JKSUJKDBSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179988470 1386660079 /nfs/dbraw/zinc/66/00/79/1386660079.db2.gz IELHLAQTLAQMPM-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001180117880 1386702539 /nfs/dbraw/zinc/70/25/39/1386702539.db2.gz KFJLVDVTYYIENK-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001180123668 1386704186 /nfs/dbraw/zinc/70/41/86/1386704186.db2.gz KLFQAPZKGZVPJL-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320864468 1386742281 /nfs/dbraw/zinc/74/22/81/1386742281.db2.gz WMHKWBLXOJTZOD-QUCCMNQESA-N 2 0 345.531 3.449 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC001180264962 1386750165 /nfs/dbraw/zinc/75/01/65/1386750165.db2.gz LQKVCILMGNIAEI-FUHWJXTLSA-N 2 0 349.494 3.105 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001180274428 1386751996 /nfs/dbraw/zinc/75/19/96/1386751996.db2.gz CULBYZXGPZMABQ-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320929537 1386761613 /nfs/dbraw/zinc/76/16/13/1386761613.db2.gz RFMZIZLACGATTA-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180372718 1386777629 /nfs/dbraw/zinc/77/76/29/1386777629.db2.gz IASCMKBJUKCJPG-SFFCAUCYSA-N 2 0 337.552 3.483 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC001321267836 1386861233 /nfs/dbraw/zinc/86/12/33/1386861233.db2.gz KYPBORRPALYNON-PKOBYXMFSA-N 2 0 333.495 3.446 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCCC1CCC1 ZINC001181904425 1387073188 /nfs/dbraw/zinc/07/31/88/1387073188.db2.gz SLUUJHYQMSFJOW-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001181977505 1387086078 /nfs/dbraw/zinc/08/60/78/1387086078.db2.gz LIKCHUBLYPWGIQ-GOSISDBHSA-N 2 0 329.488 3.165 20 0 EGADRP C[C@H](C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)CC1CCCCC1 ZINC001182109744 1387106412 /nfs/dbraw/zinc/10/64/12/1387106412.db2.gz SIYIEBDOUKFSIF-SFHVURJKSA-N 2 0 337.552 3.175 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)NCC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC001182236543 1387128772 /nfs/dbraw/zinc/12/87/72/1387128772.db2.gz ROUGSCRPOVFORG-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322268685 1387129338 /nfs/dbraw/zinc/12/93/38/1387129338.db2.gz GFJHPJPTIUSLDI-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C2)C1 ZINC001182346797 1387154329 /nfs/dbraw/zinc/15/43/29/1387154329.db2.gz XURAUCTWLDOFLC-SFHLNBCPSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182806460 1387227365 /nfs/dbraw/zinc/22/73/65/1387227365.db2.gz GBADKNBYVPHUQU-SVFBPWRDSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001336071467 1389007201 /nfs/dbraw/zinc/00/72/01/1389007201.db2.gz JQPJEOBDKVOVHU-QPIRBTGLSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001329622367 1389188313 /nfs/dbraw/zinc/18/83/13/1389188313.db2.gz DAEUZLNCVBCRQI-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001337472495 1389360104 /nfs/dbraw/zinc/36/01/04/1389360104.db2.gz PERPUDMDJNHQLD-QGZVFWFLSA-N 2 0 338.499 3.247 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001698724401 1406373317 /nfs/dbraw/zinc/37/33/17/1406373317.db2.gz JUFPZNGORYVEBC-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001330499979 1389433058 /nfs/dbraw/zinc/43/30/58/1389433058.db2.gz PNGLRRNYELYIEJ-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001330529705 1389445915 /nfs/dbraw/zinc/44/59/15/1389445915.db2.gz UEGCVFUIDCENPF-UHFFFAOYSA-N 2 0 333.520 3.393 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001698735455 1406386314 /nfs/dbraw/zinc/38/63/14/1406386314.db2.gz LZPJKWSQFNWVAG-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[N@H+](CC(=O)N1CCC2(CC[NH+](CCC3CC3)C2)CC1)CC(C)(C)C ZINC001698736559 1406387788 /nfs/dbraw/zinc/38/77/88/1406387788.db2.gz ZZZQGVRGPBAJIY-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001332199538 1390036550 /nfs/dbraw/zinc/03/65/50/1390036550.db2.gz QDOPQOJKQTVNFU-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001332221080 1390053318 /nfs/dbraw/zinc/05/33/18/1390053318.db2.gz WUGMKKGKFUDSJW-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1cccs1 ZINC001333465679 1390311190 /nfs/dbraw/zinc/31/11/90/1390311190.db2.gz MDFAZHCUQPNCEP-MRXNPFEDSA-N 2 0 329.513 3.346 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001340866040 1390389077 /nfs/dbraw/zinc/38/90/77/1390389077.db2.gz WVTVLARBEKBXDQ-HNJRGHQBSA-N 2 0 345.531 3.261 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001340874285 1390390674 /nfs/dbraw/zinc/39/06/74/1390390674.db2.gz YXBQHVXOZFUVGN-LNLFQRSKSA-N 2 0 345.531 3.023 20 0 EGADRP CC(C)(C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC001341526971 1390498375 /nfs/dbraw/zinc/49/83/75/1390498375.db2.gz SOYLHXAQEVEXHN-APWZRJJASA-N 2 0 337.467 3.192 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]([NH3+])C(C)(C)C)c1ccsc1 ZINC001341555954 1390501851 /nfs/dbraw/zinc/50/18/51/1390501851.db2.gz QFTUYOIDEOLCAN-GJZGRUSLSA-N 2 0 325.522 3.011 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@@H]2C1 ZINC001335133197 1390646387 /nfs/dbraw/zinc/64/63/87/1390646387.db2.gz DQCONCTXWBQZJG-DLTWYDFYSA-N 2 0 335.517 3.157 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C2CCCC2)n1 ZINC001335582961 1390706156 /nfs/dbraw/zinc/70/61/56/1390706156.db2.gz OSCQVYGUPLGVOJ-JENIJYKNSA-N 2 0 330.520 3.240 20 0 EGADRP Cc1c(C(=O)Nc2ccnc(N3CCCCC3)c2)ccc2c[nH+]cn21 ZINC001343400671 1390711399 /nfs/dbraw/zinc/71/13/99/1390711399.db2.gz TVCLKKAPQVZSNG-UHFFFAOYSA-N 2 0 335.411 3.280 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H](n2cncn2)C1 ZINC001343916169 1390744102 /nfs/dbraw/zinc/74/41/02/1390744102.db2.gz LKBLVIXOHPMIPM-AWUBQHKLSA-N 2 0 345.535 3.395 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1)[NH+]1CCCCC1 ZINC001344406866 1390789350 /nfs/dbraw/zinc/78/93/50/1390789350.db2.gz VPVXOBHPGIBNLG-KRWDZBQOSA-N 2 0 326.488 3.441 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)c(F)c1 ZINC001346289365 1390920108 /nfs/dbraw/zinc/92/01/08/1390920108.db2.gz UAXBEYNXKCNKLH-KBXCAEBGSA-N 2 0 340.870 3.224 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001488855848 1391735373 /nfs/dbraw/zinc/73/53/73/1391735373.db2.gz IRYBAWMEDSXDFF-GUDVDZBRSA-N 2 0 337.552 3.027 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cn3ccc(-c4ccsc4)n3)C[C@H]2C1 ZINC001352760949 1391844749 /nfs/dbraw/zinc/84/47/49/1391844749.db2.gz MWTJRBYOMUTQSU-USXIJHARSA-N 2 0 330.501 3.231 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCC[NH+](C)C ZINC001698841681 1406538738 /nfs/dbraw/zinc/53/87/38/1406538738.db2.gz SAZPFBSZZBMNMN-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])CC(C)C)c1ccsc1 ZINC001353481220 1392020504 /nfs/dbraw/zinc/02/05/04/1392020504.db2.gz BTXDMSXDQAWIFB-JKSUJKDBSA-N 2 0 325.522 3.011 20 0 EGADRP [NH3+]Cc1nccnc1NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001354110231 1392120857 /nfs/dbraw/zinc/12/08/57/1392120857.db2.gz YJXXTXWCGWIQFW-MRXNPFEDSA-N 2 0 345.878 3.055 20 0 EGADRP C[C@H](c1ccccc1F)[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001479891357 1392461498 /nfs/dbraw/zinc/46/14/98/1392461498.db2.gz OSLLUIVCVWRWAS-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2)[NH+](C)C ZINC001479985770 1392517916 /nfs/dbraw/zinc/51/79/16/1392517916.db2.gz WFOPOVQQWWPPJL-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001698862255 1406573533 /nfs/dbraw/zinc/57/35/33/1406573533.db2.gz XHDVXBJOJDFIRH-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCc1ccc(C[NH2+]C2CCC(NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001480407077 1392744270 /nfs/dbraw/zinc/74/42/70/1392744270.db2.gz OGDKCDZVBUSSQI-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCC1CCCC1 ZINC001480597703 1392812776 /nfs/dbraw/zinc/81/27/76/1392812776.db2.gz SKLBWJDCBOIOLG-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1c(C(=O)N[C@H](C[NH2+]CC(C)C)CC(C)C)ccc2c[nH+]cn21 ZINC001698873974 1406596320 /nfs/dbraw/zinc/59/63/20/1406596320.db2.gz AAAFMDKJUKVQMM-INIZCTEOSA-N 2 0 330.476 3.033 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001480739539 1392904821 /nfs/dbraw/zinc/90/48/21/1392904821.db2.gz QXNWYYDEJCCHKO-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001480806303 1392946274 /nfs/dbraw/zinc/94/62/74/1392946274.db2.gz ZPPQNESTSVUYCY-SJLPKXTDSA-N 2 0 339.568 3.273 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001481119865 1393124795 /nfs/dbraw/zinc/12/47/95/1393124795.db2.gz RPCNKJCOSDQQRP-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC(C)C ZINC001481144278 1393132418 /nfs/dbraw/zinc/13/24/18/1393132418.db2.gz FFCQBTXZVFXZLW-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](CCNC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001481173282 1393141046 /nfs/dbraw/zinc/14/10/46/1393141046.db2.gz NZLQUQWGRRDTLF-KRWDZBQOSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001481287827 1393158849 /nfs/dbraw/zinc/15/88/49/1393158849.db2.gz ORKVBVRYOZGMMM-VQIMIIECSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001490560869 1394260791 /nfs/dbraw/zinc/26/07/91/1394260791.db2.gz YZWFREYPHZSNCH-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP CCCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](CC)CC1 ZINC001490615757 1394284034 /nfs/dbraw/zinc/28/40/34/1394284034.db2.gz AUKKRPCBAUXHTC-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001481444196 1394297438 /nfs/dbraw/zinc/29/74/38/1394297438.db2.gz KJRKQPGAGQAHIW-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+](CC)CC ZINC001490925690 1394375899 /nfs/dbraw/zinc/37/58/99/1394375899.db2.gz GDSWWXFSFWRIKX-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001481661626 1394436501 /nfs/dbraw/zinc/43/65/01/1394436501.db2.gz ZWJVVKHCBAPJIE-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001491299635 1394500982 /nfs/dbraw/zinc/50/09/82/1394500982.db2.gz HPVUDXCIZBNZKE-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481869363 1394569067 /nfs/dbraw/zinc/56/90/67/1394569067.db2.gz KYJKGNYVSSWHHE-MSOLQXFVSA-N 2 0 339.568 3.273 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001482477786 1395032077 /nfs/dbraw/zinc/03/20/77/1395032077.db2.gz IDZPRKZHDHWSAK-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CCC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001482509066 1395062737 /nfs/dbraw/zinc/06/27/37/1395062737.db2.gz PKJMYMQKSMRKGB-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001483957189 1395161867 /nfs/dbraw/zinc/16/18/67/1395161867.db2.gz DAQLYLKKGJKCNE-HXUWFJFHSA-N 2 0 347.547 3.334 20 0 EGADRP CC[C@H](C(=O)NCC1(C)CC[NH+](C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001484138900 1395275511 /nfs/dbraw/zinc/27/55/11/1395275511.db2.gz QZIVXHYCKLYCMM-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001484176866 1395322622 /nfs/dbraw/zinc/32/26/22/1395322622.db2.gz ZJOAWYNPRUDGCJ-OAQYLSRUSA-N 2 0 345.531 3.055 20 0 EGADRP CCCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001484324104 1395341644 /nfs/dbraw/zinc/34/16/44/1395341644.db2.gz OKGAQYISQUZZBD-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)CC1)[NH+](C)C ZINC001484396958 1395366599 /nfs/dbraw/zinc/36/65/99/1395366599.db2.gz VYYANWZGMNEAHK-UFYCRDLUSA-N 2 0 345.531 3.039 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001494908458 1396508926 /nfs/dbraw/zinc/50/89/26/1396508926.db2.gz ABKXHUSGUSRQML-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001498370075 1396977721 /nfs/dbraw/zinc/97/77/21/1396977721.db2.gz UPFGJJBIHJOEEG-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001498457738 1397005275 /nfs/dbraw/zinc/00/52/75/1397005275.db2.gz TWQZVLSIJLAXMH-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001690030058 1404269031 /nfs/dbraw/zinc/26/90/31/1404269031.db2.gz RIHDDJLCQBFQRC-UXHICEINSA-N 2 0 345.531 3.401 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001690049539 1404283554 /nfs/dbraw/zinc/28/35/54/1404283554.db2.gz WZONNFSVODIVQH-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001690300268 1404459410 /nfs/dbraw/zinc/45/94/10/1404459410.db2.gz VUHPTDSUEZRPEF-IYWMVGAKSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001690498428 1404611486 /nfs/dbraw/zinc/61/14/86/1404611486.db2.gz HZHLTHYEUXPQEW-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690780955 1404728844 /nfs/dbraw/zinc/72/88/44/1404728844.db2.gz NMDPBFLQXOPKHQ-RTBURBONSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC001691019663 1404934375 /nfs/dbraw/zinc/93/43/75/1404934375.db2.gz DSETVPLVTYSAKT-UHFFFAOYSA-N 2 0 349.494 3.028 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cc(C)ccc1C ZINC001691055298 1404974219 /nfs/dbraw/zinc/97/42/19/1404974219.db2.gz AHMRIZDVMADHGT-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001725505220 1426187293 /nfs/dbraw/zinc/18/72/93/1426187293.db2.gz KGYUXWKAOHTFTI-DLBZAZTESA-N 2 0 333.520 3.162 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691154052 1405087954 /nfs/dbraw/zinc/08/79/54/1405087954.db2.gz JEUCGCPVSNIAKR-QFBILLFUSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001691463014 1405284768 /nfs/dbraw/zinc/28/47/68/1405284768.db2.gz DHXSWYBKPBXOLQ-LMMKCTJWSA-N 2 0 345.531 3.210 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001698547606 1406145138 /nfs/dbraw/zinc/14/51/38/1406145138.db2.gz YQGICAPQGFHDOK-VDGAXYAQSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001698572864 1406178477 /nfs/dbraw/zinc/17/84/77/1406178477.db2.gz KFRJFXWYEUVTSD-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001698588631 1406208590 /nfs/dbraw/zinc/20/85/90/1406208590.db2.gz RPVRHUDADQRRIY-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001732041609 1428270910 /nfs/dbraw/zinc/27/09/10/1428270910.db2.gz SQHAVZHFNSTHRT-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001732165011 1428407171 /nfs/dbraw/zinc/40/71/71/1428407171.db2.gz JBXKBTFCAYKPAF-VQTJNVASSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)C[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001732262316 1428502828 /nfs/dbraw/zinc/50/28/28/1428502828.db2.gz ROHZYJOCGYFMDZ-QUCCMNQESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1 ZINC001732394707 1428562487 /nfs/dbraw/zinc/56/24/87/1428562487.db2.gz PJTTTXGQCBQFLR-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467825 1412838710 /nfs/dbraw/zinc/83/87/10/1412838710.db2.gz OGUUYQDTGUIFST-RBUKOAKNSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001699737708 1413148790 /nfs/dbraw/zinc/14/87/90/1413148790.db2.gz JIJCHRANJIXQNL-OALUTQOASA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001699853021 1413282678 /nfs/dbraw/zinc/28/26/78/1413282678.db2.gz GQTPCYITBJBIDR-OXJNMPFZSA-N 2 0 349.494 3.057 20 0 EGADRP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001699977357 1413420832 /nfs/dbraw/zinc/42/08/32/1413420832.db2.gz FMQVVFMKONSGQH-RDGPPVDQSA-N 2 0 337.552 3.122 20 0 EGADRP Cc1ccc(C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001700473891 1414095353 /nfs/dbraw/zinc/09/53/53/1414095353.db2.gz JPWBIWCCFZQHNP-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001700479884 1414113775 /nfs/dbraw/zinc/11/37/75/1414113775.db2.gz CTQHNKJOFVCUOL-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CCCC2CCCC2)C1 ZINC001700548643 1414218365 /nfs/dbraw/zinc/21/83/65/1414218365.db2.gz CNOFKCBNFCIJKV-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001700777109 1414457665 /nfs/dbraw/zinc/45/76/65/1414457665.db2.gz DXSJKEOQRYGRFY-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001700802027 1414467707 /nfs/dbraw/zinc/46/77/07/1414467707.db2.gz SLXGGJBOXRIZGP-IRXDYDNUSA-N 2 0 345.531 3.015 20 0 EGADRP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001700880439 1414535853 /nfs/dbraw/zinc/53/58/53/1414535853.db2.gz MKFVDZPXDCSRKN-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001732957353 1429080906 /nfs/dbraw/zinc/08/09/06/1429080906.db2.gz CUPVXRUHTZENSX-MRXNPFEDSA-N 2 0 345.531 3.063 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001733040833 1429169674 /nfs/dbraw/zinc/16/96/74/1429169674.db2.gz AHBSAVLXHZKTBP-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001707439012 1417342989 /nfs/dbraw/zinc/34/29/89/1417342989.db2.gz BRMNZFIXKPUSSU-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC1CCCC1 ZINC001707442626 1417346639 /nfs/dbraw/zinc/34/66/39/1417346639.db2.gz HLVVDGXCSAKICY-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CC2CCCCC2)ccc2c[nH+]cn21 ZINC001733044627 1429177188 /nfs/dbraw/zinc/17/71/88/1429177188.db2.gz ZRZKQGDHNLZYSG-HNNXBMFYSA-N 2 0 342.487 3.273 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713060739 1417616328 /nfs/dbraw/zinc/61/63/28/1417616328.db2.gz IWCGLVQDMVTDGY-KFONASLZSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CC23CC[NH+](CCC2CCCC2)CC3)CCC1 ZINC001713094674 1417643207 /nfs/dbraw/zinc/64/32/07/1417643207.db2.gz ITWJQKCELJYZQR-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2)[NH+](C)C ZINC001713098830 1417649303 /nfs/dbraw/zinc/64/93/03/1417649303.db2.gz WFOPOVQQWWPPJL-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001713180672 1417754570 /nfs/dbraw/zinc/75/45/70/1417754570.db2.gz SKQRBQSGIVQMCL-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001713381772 1417991998 /nfs/dbraw/zinc/99/19/98/1417991998.db2.gz MIUCVRVHXCAOAY-PMACEKPBSA-N 2 0 349.563 3.460 20 0 EGADRP CCc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713396043 1418012192 /nfs/dbraw/zinc/01/21/92/1418012192.db2.gz UASSMPGUUCGCIF-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001713541789 1418303694 /nfs/dbraw/zinc/30/36/94/1418303694.db2.gz NUNRJPIMHIPBGB-RTBURBONSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC001713623128 1418398205 /nfs/dbraw/zinc/39/82/05/1418398205.db2.gz SIBUCZHXBCYRHV-OXJNMPFZSA-N 2 0 339.483 3.043 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[C@@H](C)C1 ZINC001713711229 1418470923 /nfs/dbraw/zinc/47/09/23/1418470923.db2.gz DVAVVLARVKLIHJ-WTGUMLROSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H](C[N@H+](C)CCC3CCCC3)C2)CC1 ZINC001713757923 1418563709 /nfs/dbraw/zinc/56/37/09/1418563709.db2.gz NCIUTHGYVCHQAM-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(CC)c2)C1 ZINC001713791221 1418609534 /nfs/dbraw/zinc/60/95/34/1418609534.db2.gz RDMPYOKHKCYGFU-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CCCF)CC1 ZINC001713858984 1418656312 /nfs/dbraw/zinc/65/63/12/1418656312.db2.gz ZXTQBDQMRNEENU-UHFFFAOYSA-N 2 0 343.531 3.027 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCCC2)CCC1 ZINC001714106935 1418906654 /nfs/dbraw/zinc/90/66/54/1418906654.db2.gz DJHXCYJCKKCVMU-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001714117330 1418921026 /nfs/dbraw/zinc/92/10/26/1418921026.db2.gz VDWFOLLMVIJDSX-IBGZPJMESA-N 2 0 349.494 3.028 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001714334912 1419113525 /nfs/dbraw/zinc/11/35/25/1419113525.db2.gz XMBXJBJBEVDMCX-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C2CCC2)cc1 ZINC001714549107 1419275697 /nfs/dbraw/zinc/27/56/97/1419275697.db2.gz ZWHNWUPIRVIZHJ-KRWDZBQOSA-N 2 0 345.531 3.403 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714616362 1419378500 /nfs/dbraw/zinc/37/85/00/1419378500.db2.gz HRTNPQPXANGNTM-AZUAARDMSA-N 2 0 343.515 3.060 20 0 EGADRP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001715017401 1419746421 /nfs/dbraw/zinc/74/64/21/1419746421.db2.gz FPJSKEPTFJQNTO-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001715343397 1420045846 /nfs/dbraw/zinc/04/58/46/1420045846.db2.gz JNXHMFWHUKYRHQ-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001715377141 1420073297 /nfs/dbraw/zinc/07/32/97/1420073297.db2.gz MITHTKZTBFGDKF-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001715961722 1420428396 /nfs/dbraw/zinc/42/83/96/1420428396.db2.gz FDKUVHIAWYYMAM-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001715962943 1420429019 /nfs/dbraw/zinc/42/90/19/1420429019.db2.gz QYFSLIPDOJLDQW-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001716864179 1420993710 /nfs/dbraw/zinc/99/37/10/1420993710.db2.gz BUNLYVHWHMCJHU-UTKZUKDTSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717125039 1421127196 /nfs/dbraw/zinc/12/71/96/1421127196.db2.gz XITLFFBUVFDWGY-SZMVWBNQSA-N 2 0 346.519 3.043 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717145178 1421138166 /nfs/dbraw/zinc/13/81/66/1421138166.db2.gz KASWJPGRZHKVNG-MRNGTQDMSA-N 2 0 349.563 3.434 20 0 EGADRP CCc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001717208654 1421180700 /nfs/dbraw/zinc/18/07/00/1421180700.db2.gz HLJHOKGVFVGIQD-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001717213512 1421189120 /nfs/dbraw/zinc/18/91/20/1421189120.db2.gz OKOSGWYODACEJO-UHFFFAOYSA-N 2 0 345.531 3.087 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](C(C)C)C1 ZINC001717217239 1421195509 /nfs/dbraw/zinc/19/55/09/1421195509.db2.gz PJNBUNZLLUFJII-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001717217547 1421195703 /nfs/dbraw/zinc/19/57/03/1421195703.db2.gz SKLYERZVEVZHCU-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717371315 1421310046 /nfs/dbraw/zinc/31/00/46/1421310046.db2.gz OBSVZLZJIYOMRG-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001717705494 1421580566 /nfs/dbraw/zinc/58/05/66/1421580566.db2.gz OLGCXSRFZXHPPX-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001717741690 1421605239 /nfs/dbraw/zinc/60/52/39/1421605239.db2.gz VCEWAXCBCHHMDT-KRWDZBQOSA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC(C)C ZINC001724118689 1424672786 /nfs/dbraw/zinc/67/27/86/1424672786.db2.gz HVJSJLVUHJXEKY-QRVBRYPASA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724238474 1424749662 /nfs/dbraw/zinc/74/96/62/1424749662.db2.gz DXGFERCUODEIJC-WIYYLYMNSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001724613682 1424957470 /nfs/dbraw/zinc/95/74/70/1424957470.db2.gz NRSIZUASJSTXGM-GGPHIMKMSA-N 2 0 335.536 3.020 20 0 EGADRP CCc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC2)cc1 ZINC001724848237 1425203936 /nfs/dbraw/zinc/20/39/36/1425203936.db2.gz YHZVTVWJKMDTQE-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1C ZINC001724859269 1425240334 /nfs/dbraw/zinc/24/03/34/1425240334.db2.gz BMNOMQHAXNLJGM-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)C[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001724893515 1425282606 /nfs/dbraw/zinc/28/26/06/1425282606.db2.gz WGMJYOKCEGLDEY-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001725010537 1425423299 /nfs/dbraw/zinc/42/32/99/1425423299.db2.gz JHTCNRNLCPGONE-DLBZAZTESA-N 2 0 345.531 3.061 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001725030728 1425450423 /nfs/dbraw/zinc/45/04/23/1425450423.db2.gz BRHGVASRJLZFAD-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001725149109 1425633025 /nfs/dbraw/zinc/63/30/25/1425633025.db2.gz YTUYUIIPARJMSV-UHFFFAOYSA-N 2 0 333.520 3.092 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCCC1CCCC1 ZINC001725634113 1426303738 /nfs/dbraw/zinc/30/37/38/1426303738.db2.gz RMARKWKYHURNSH-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001731539412 1427542403 /nfs/dbraw/zinc/54/24/03/1427542403.db2.gz RQEIBBXERDGDGN-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC2CCCC2)CC1 ZINC001731539953 1427543878 /nfs/dbraw/zinc/54/38/78/1427543878.db2.gz XTFWQRWDBDPMTB-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001731613991 1427660270 /nfs/dbraw/zinc/66/02/70/1427660270.db2.gz DNQFAXCCYXAZQS-DLBZAZTESA-N 2 0 345.531 3.307 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001731694726 1427744242 /nfs/dbraw/zinc/74/42/42/1427744242.db2.gz LYHODSKTKKEYLL-DGDLXGGDSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731711855 1427771252 /nfs/dbraw/zinc/77/12/52/1427771252.db2.gz DLLHZCGIVDCIEU-LJQANCHMSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001731721593 1427791849 /nfs/dbraw/zinc/79/18/49/1427791849.db2.gz VIYCDFGXKAKTSA-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1cccc(C)c1 ZINC001731868322 1428119632 /nfs/dbraw/zinc/11/96/32/1428119632.db2.gz GFRHPBVDDXGTAM-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001733711054 1429927676 /nfs/dbraw/zinc/92/76/76/1429927676.db2.gz JZDJJWKUGPAAFD-UYAOXDASSA-N 2 0 345.531 3.367 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001733773502 1430012360 /nfs/dbraw/zinc/01/23/60/1430012360.db2.gz IXMHCDITCMDKBY-AZUAARDMSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001734012993 1437804137 /nfs/dbraw/zinc/80/41/37/1437804137.db2.gz GMJISXQPPOJZIL-UHFFFAOYSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001734125579 1437904519 /nfs/dbraw/zinc/90/45/19/1437904519.db2.gz DXNMFJPZMUNSOQ-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001734272803 1438004303 /nfs/dbraw/zinc/00/43/03/1438004303.db2.gz XWWUTWATUPQCMQ-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001734628093 1438191766 /nfs/dbraw/zinc/19/17/66/1438191766.db2.gz DQIXKDIYGHHTGJ-UUKMXZOPSA-N 2 0 349.563 3.147 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCCC(C)(C)C ZINC001752077395 1440138704 /nfs/dbraw/zinc/13/87/04/1440138704.db2.gz XELDKDBESOQKNG-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001752431889 1440178523 /nfs/dbraw/zinc/17/85/23/1440178523.db2.gz PQZGBNAGFDVYRQ-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CCC2=CCCCC2)C1 ZINC001752527234 1440193170 /nfs/dbraw/zinc/19/31/70/1440193170.db2.gz JTEHRIIEWFZBSY-HXUWFJFHSA-N 2 0 349.563 3.389 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752706773 1440202896 /nfs/dbraw/zinc/20/28/96/1440202896.db2.gz RFWQFRHEOVDGDD-ICSRJNTNSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001752753516 1440205175 /nfs/dbraw/zinc/20/51/75/1440205175.db2.gz FDSKPTGEDNNXOR-KDURUIRLSA-N 2 0 345.531 3.063 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752775182 1440206688 /nfs/dbraw/zinc/20/66/88/1440206688.db2.gz GZVYZIIIFCEDNT-CEXWTWQISA-N 2 0 337.552 3.170 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752815813 1440217952 /nfs/dbraw/zinc/21/79/52/1440217952.db2.gz SYYMVAYVWQYPDW-LJQANCHMSA-N 2 0 345.531 3.380 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752822920 1440221690 /nfs/dbraw/zinc/22/16/90/1440221690.db2.gz QPNLNUKRUFQVGZ-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001752850754 1440233505 /nfs/dbraw/zinc/23/35/05/1440233505.db2.gz LODJPASUOFCRNE-AFMYVXGZSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001752880832 1440238842 /nfs/dbraw/zinc/23/88/42/1440238842.db2.gz ZHUCZJPFHIRHNF-APWZRJJASA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC/C=C/c1ccccc1 ZINC001752891574 1440240980 /nfs/dbraw/zinc/24/09/80/1440240980.db2.gz NABSUVCGILPQTB-UTGRISEESA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]CCCCCF)C1)[NH+]1CCCC1 ZINC001752973807 1440255675 /nfs/dbraw/zinc/25/56/75/1440255675.db2.gz MYMPHTOKMFDSQX-DLBZAZTESA-N 2 0 341.515 3.018 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001752977478 1440256474 /nfs/dbraw/zinc/25/64/74/1440256474.db2.gz VQJOJABJPGRQQU-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001752990602 1440259470 /nfs/dbraw/zinc/25/94/70/1440259470.db2.gz HPNKDHLXSULNMH-YXPHPVBUSA-N 2 0 349.563 3.386 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001752996884 1440262401 /nfs/dbraw/zinc/26/24/01/1440262401.db2.gz QHJKKDGGAGVUPU-MJGOQNOKSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001753007292 1440266205 /nfs/dbraw/zinc/26/62/05/1440266205.db2.gz IVBWJQIBEGIWCC-QUCCMNQESA-N 2 0 345.531 3.162 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753015699 1440268258 /nfs/dbraw/zinc/26/82/58/1440268258.db2.gz AMRGEFBRFKNOCQ-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001753038693 1440275562 /nfs/dbraw/zinc/27/55/62/1440275562.db2.gz WMOLJFCPVXADGU-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@@H](C)c1cc(C)ccc1C ZINC001753083643 1440295245 /nfs/dbraw/zinc/29/52/45/1440295245.db2.gz MHJKAXCGIKFGAQ-SFHVURJKSA-N 2 0 345.531 3.287 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753105896 1440306272 /nfs/dbraw/zinc/30/62/72/1440306272.db2.gz JUDGSKNDFJXVPH-MOPGFXCFSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753105897 1440306323 /nfs/dbraw/zinc/30/63/23/1440306323.db2.gz JUDGSKNDFJXVPH-OALUTQOASA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001753136351 1440318939 /nfs/dbraw/zinc/31/89/39/1440318939.db2.gz UIIQCILDLAYVJF-UXHICEINSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(C)cc1 ZINC001753143142 1440322633 /nfs/dbraw/zinc/32/26/33/1440322633.db2.gz KWMQDHDQVKTOGP-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001753254776 1440343459 /nfs/dbraw/zinc/34/34/59/1440343459.db2.gz NDDRPMKWZQTGGT-KRWDZBQOSA-N 2 0 347.547 3.435 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753274978 1440346006 /nfs/dbraw/zinc/34/60/06/1440346006.db2.gz UTMOLZLDSFPQHP-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001753281321 1440347637 /nfs/dbraw/zinc/34/76/37/1440347637.db2.gz XZYRAINSLWLFRG-MGBKSAOESA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCC(C)(C)C ZINC001753290534 1440350072 /nfs/dbraw/zinc/35/00/72/1440350072.db2.gz BDQOUDDYAUMFOQ-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001753297757 1440352916 /nfs/dbraw/zinc/35/29/16/1440352916.db2.gz RESWZNLNUUZQLD-PMACEKPBSA-N 2 0 343.515 3.108 20 0 EGADRP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001753314524 1440358536 /nfs/dbraw/zinc/35/85/36/1440358536.db2.gz HGZQORDUZAYSBI-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753319419 1440362197 /nfs/dbraw/zinc/36/21/97/1440362197.db2.gz DSHJKZWHWJXRAU-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001753319368 1440362266 /nfs/dbraw/zinc/36/22/66/1440362266.db2.gz DJEBTEQECFPIND-MOPGFXCFSA-N 2 0 337.552 3.364 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001753351507 1440378187 /nfs/dbraw/zinc/37/81/87/1440378187.db2.gz FDSULUHPTKDTKK-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001753366069 1440385284 /nfs/dbraw/zinc/38/52/84/1440385284.db2.gz OUFPXNMCGQAKKP-MRXNPFEDSA-N 2 0 349.494 3.009 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753448662 1440405039 /nfs/dbraw/zinc/40/50/39/1440405039.db2.gz YWJBCIBUKGSRAM-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753461092 1440410719 /nfs/dbraw/zinc/41/07/19/1440410719.db2.gz DDRPWVCCOMMTCG-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCCCC1 ZINC001753476738 1440415416 /nfs/dbraw/zinc/41/54/16/1440415416.db2.gz HETSFAUJFYCCSI-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC001753585639 1440441312 /nfs/dbraw/zinc/44/13/12/1440441312.db2.gz LOIYGIAMNFVXHD-BJLQDIEVSA-N 2 0 343.515 3.033 20 0 EGADRP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001753604170 1440447736 /nfs/dbraw/zinc/44/77/36/1440447736.db2.gz CDQNHXVDANTOMQ-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001753636383 1440453270 /nfs/dbraw/zinc/45/32/70/1440453270.db2.gz VBNDYIDKHIQPTE-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001753668008 1440460948 /nfs/dbraw/zinc/46/09/48/1440460948.db2.gz RBZWDYWUXNTLKD-FNYRVFDFSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753690119 1440466436 /nfs/dbraw/zinc/46/64/36/1440466436.db2.gz SVEVOKCKORMSSA-HKUYNNGSSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001753729806 1440475481 /nfs/dbraw/zinc/47/54/81/1440475481.db2.gz RPDZDLRBVIJISW-HNNXBMFYSA-N 2 0 345.512 3.060 20 0 EGADRP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001753739412 1440478644 /nfs/dbraw/zinc/47/86/44/1440478644.db2.gz CYTGCUAPLJHUMC-GOSISDBHSA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001753740723 1440479125 /nfs/dbraw/zinc/47/91/25/1440479125.db2.gz ZYYASLMLCNORIF-OALUTQOASA-N 2 0 337.552 3.336 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001753744696 1440480510 /nfs/dbraw/zinc/48/05/10/1440480510.db2.gz MOSVWMFNKTUPAA-PMACEKPBSA-N 2 0 347.547 3.236 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC001753831668 1440499876 /nfs/dbraw/zinc/49/98/76/1440499876.db2.gz YJNZIJOZWXPWMZ-PMACEKPBSA-N 2 0 345.531 3.100 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1cccc(C)c1 ZINC001753854196 1440508085 /nfs/dbraw/zinc/50/80/85/1440508085.db2.gz AJRUQJWPHKNJKY-UYAOXDASSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753860888 1440511294 /nfs/dbraw/zinc/51/12/94/1440511294.db2.gz NEPJLEPTBOKPFE-JZXOWHBKSA-N 2 0 349.494 3.007 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001753878096 1440519874 /nfs/dbraw/zinc/51/98/74/1440519874.db2.gz NNSTYNVILJLMHR-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753966804 1440526615 /nfs/dbraw/zinc/52/66/15/1440526615.db2.gz WHBSBVSUTOXQFR-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753992311 1440529219 /nfs/dbraw/zinc/52/92/19/1440529219.db2.gz DYMDBJVFSQCZKB-HKUYNNGSSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]([NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001754022280 1440532669 /nfs/dbraw/zinc/53/26/69/1440532669.db2.gz YOWQJOPKZDHLGB-ICSRJNTNSA-N 2 0 345.531 3.354 20 0 EGADRP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001754049001 1440535468 /nfs/dbraw/zinc/53/54/68/1440535468.db2.gz DQRHHYOPHBJQMO-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001754139860 1440544333 /nfs/dbraw/zinc/54/43/33/1440544333.db2.gz JHUOIXUDYRQOIK-PSTGNYPNSA-N 2 0 349.563 3.195 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754273783 1440561911 /nfs/dbraw/zinc/56/19/11/1440561911.db2.gz FOJKDZVKBNMKPY-KRWDZBQOSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001754288911 1440564595 /nfs/dbraw/zinc/56/45/95/1440564595.db2.gz JUHHDEKMOWEQRE-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754312026 1440573575 /nfs/dbraw/zinc/57/35/75/1440573575.db2.gz VMVCPDWNYLRMHV-KRWDZBQOSA-N 2 0 335.536 3.188 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754326292 1440580631 /nfs/dbraw/zinc/58/06/31/1440580631.db2.gz HAKQHUHMSOOVEI-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001754350821 1440590821 /nfs/dbraw/zinc/59/08/21/1440590821.db2.gz FZKLYHGBYGNYPH-MSOLQXFVSA-N 2 0 337.552 3.027 20 0 EGADRP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001754380600 1440593378 /nfs/dbraw/zinc/59/33/78/1440593378.db2.gz XUEWZPHFOKVSCJ-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001754416798 1440597016 /nfs/dbraw/zinc/59/70/16/1440597016.db2.gz TXXJBXMFDDHGMC-OALUTQOASA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H](CC)C1 ZINC001754466132 1440604325 /nfs/dbraw/zinc/60/43/25/1440604325.db2.gz AZWAMCDAHQADBP-UXHICEINSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754496040 1440612263 /nfs/dbraw/zinc/61/22/63/1440612263.db2.gz SFFHXOZPEBEZIO-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001754505074 1440616084 /nfs/dbraw/zinc/61/60/84/1440616084.db2.gz PZMCRPGUSMCDKQ-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001754554381 1440630833 /nfs/dbraw/zinc/63/08/33/1440630833.db2.gz GUDYOTOTWNIQBD-BGYRXZFFSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001754557219 1440632062 /nfs/dbraw/zinc/63/20/62/1440632062.db2.gz NIQILPUOHSVGDW-FPOVZHCZSA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001754561548 1440633816 /nfs/dbraw/zinc/63/38/16/1440633816.db2.gz XHCFYCQBWDRFLT-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001754598184 1440641848 /nfs/dbraw/zinc/64/18/48/1440641848.db2.gz RPHQUYKUYOTKPN-ROUUACIJSA-N 2 0 337.552 3.410 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001754605055 1440643185 /nfs/dbraw/zinc/64/31/85/1440643185.db2.gz VSVMKFRAPDYBQH-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCC[NH+]1CCC(C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001754631299 1440647916 /nfs/dbraw/zinc/64/79/16/1440647916.db2.gz WBBVUNMNAUORRL-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001754661506 1440655073 /nfs/dbraw/zinc/65/50/73/1440655073.db2.gz GLVPKGTYUVTLGQ-QEVIJRNUSA-N 2 0 349.563 3.389 20 0 EGADRP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754670257 1440657916 /nfs/dbraw/zinc/65/79/16/1440657916.db2.gz MFQOWIMDSFBDCZ-WIYYLYMNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754727473 1440677022 /nfs/dbraw/zinc/67/70/22/1440677022.db2.gz MLBIJFOIVJIYNF-GHTZIAJQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734489 1440681447 /nfs/dbraw/zinc/68/14/47/1440681447.db2.gz WOQXMKQRYBCUQQ-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CCCC1)C2 ZINC001754783078 1440686910 /nfs/dbraw/zinc/68/69/10/1440686910.db2.gz LBLHYZOVHCDMJE-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[NH+]1CCCCC1 ZINC001754830252 1440694746 /nfs/dbraw/zinc/69/47/46/1440694746.db2.gz JXSDUROTJQAFTQ-REPLKXPHSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCCC(C)C)CC[N@@H+]1C ZINC001754864224 1440702269 /nfs/dbraw/zinc/70/22/69/1440702269.db2.gz AFURHDZLOWTFMA-MTQWCTHYSA-N 2 0 349.563 3.218 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754920846 1440709281 /nfs/dbraw/zinc/70/92/81/1440709281.db2.gz JVSRBFIAAKATOS-GNAXCBTBSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001754948832 1440714237 /nfs/dbraw/zinc/71/42/37/1440714237.db2.gz QCWMCBLAMIXQPS-IRXDYDNUSA-N 2 0 343.515 3.095 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC2)cs1 ZINC001754984513 1440722282 /nfs/dbraw/zinc/72/22/82/1440722282.db2.gz LVNMDGSQVLPLFK-UHFFFAOYSA-N 2 0 349.544 3.059 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001755034914 1440733571 /nfs/dbraw/zinc/73/35/71/1440733571.db2.gz BRHMFFHSEXNYSG-MOPGFXCFSA-N 2 0 349.494 3.151 20 0 EGADRP CN(CCC[N@H+](C)CCCC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755036410 1440734787 /nfs/dbraw/zinc/73/47/87/1440734787.db2.gz DEOWLTVJGOHEFA-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC2CC(C)C2)CC1 ZINC001755068673 1440745782 /nfs/dbraw/zinc/74/57/82/1440745782.db2.gz BXDMOIQQMKWYPC-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001755129040 1440756693 /nfs/dbraw/zinc/75/66/93/1440756693.db2.gz AIPFLRGTZLSMNE-DKFQHHCZSA-N 2 0 335.536 3.188 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001755142570 1440761279 /nfs/dbraw/zinc/76/12/79/1440761279.db2.gz BOUXPXPIYNWXOI-HPFMTEOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1c2ccccc2CC[NH+]1CC=C(C)C ZINC001755171145 1440768920 /nfs/dbraw/zinc/76/89/20/1440768920.db2.gz LLCGAIWGTFWCKD-FQEVSTJZSA-N 2 0 343.515 3.010 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)cc1C ZINC001755197844 1440777810 /nfs/dbraw/zinc/77/78/10/1440777810.db2.gz OIALWRXDIOJWTA-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001755204592 1440781821 /nfs/dbraw/zinc/78/18/21/1440781821.db2.gz LRPOBZWDTYZWFC-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001755275947 1440799065 /nfs/dbraw/zinc/79/90/65/1440799065.db2.gz MOGRJFHYCHLKKQ-LMDPOFIKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc(C)c1C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001755300484 1440808312 /nfs/dbraw/zinc/80/83/12/1440808312.db2.gz QMYWCKWEPQZMHN-ICSRJNTNSA-N 2 0 345.531 3.113 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)CC1=CCCCC1 ZINC001755327507 1440822674 /nfs/dbraw/zinc/82/26/74/1440822674.db2.gz IRSNUIMPCJYIEF-SFHVURJKSA-N 2 0 335.536 3.189 20 0 EGADRP Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCCCC2)cs1 ZINC001755350094 1440827549 /nfs/dbraw/zinc/82/75/49/1440827549.db2.gz ZIBUJNSLVKAXQY-KRWDZBQOSA-N 2 0 349.544 3.059 20 0 EGADRP C[N@H+](CC(=O)NC1(C[NH2+]CCC2CC2)CCCCC1)CC(C)(C)C ZINC001755354391 1440828843 /nfs/dbraw/zinc/82/88/43/1440828843.db2.gz LBDSVDZBZOETDL-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1)C1CCC1 ZINC001755364561 1440833617 /nfs/dbraw/zinc/83/36/17/1440833617.db2.gz WOLOTRHQLQIPNM-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCC1 ZINC001755368621 1440836514 /nfs/dbraw/zinc/83/65/14/1440836514.db2.gz UCOAACLVNBMMDG-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755414973 1440848027 /nfs/dbraw/zinc/84/80/27/1440848027.db2.gz CNZDQYBRKXCXHT-VOFKWLDRSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755416447 1440849103 /nfs/dbraw/zinc/84/91/03/1440849103.db2.gz UGBNLOTVSDOIPB-HKVOBHHDSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H](CCC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001755490487 1440861483 /nfs/dbraw/zinc/86/14/83/1440861483.db2.gz RCYREOAKGLUXAH-JXFKEZNVSA-N 2 0 343.515 3.033 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001755535374 1440869046 /nfs/dbraw/zinc/86/90/46/1440869046.db2.gz HIMJOBWRAVPQJE-QRVBRYPASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001755571147 1440876908 /nfs/dbraw/zinc/87/69/08/1440876908.db2.gz OBXLHYKVTBRZHG-PMACEKPBSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001755599455 1440883566 /nfs/dbraw/zinc/88/35/66/1440883566.db2.gz ITOOUDGHBYBSBU-ADKAHSJRSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001755617133 1440889377 /nfs/dbraw/zinc/88/93/77/1440889377.db2.gz FRMRQNWZMODFEP-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001755617618 1440889493 /nfs/dbraw/zinc/88/94/93/1440889493.db2.gz CTMYWQYZMSUAKJ-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001755617617 1440889521 /nfs/dbraw/zinc/88/95/21/1440889521.db2.gz CTMYWQYZMSUAKJ-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001755664586 1440893197 /nfs/dbraw/zinc/89/31/97/1440893197.db2.gz OCIYVQJGCJMOBM-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001755691139 1440896693 /nfs/dbraw/zinc/89/66/93/1440896693.db2.gz SSTZQBGHTUULFN-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001755690413 1440896697 /nfs/dbraw/zinc/89/66/97/1440896697.db2.gz OBMSEPRKRGXUDQ-RBUKOAKNSA-N 2 0 345.531 3.033 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001755690867 1440896741 /nfs/dbraw/zinc/89/67/41/1440896741.db2.gz ZALJHDBCOBUOLM-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC1CCCCCC1 ZINC001755722831 1440908295 /nfs/dbraw/zinc/90/82/95/1440908295.db2.gz OTILJTRUZMDWMX-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001755724493 1440908898 /nfs/dbraw/zinc/90/88/98/1440908898.db2.gz VXRRLKPDJQVLFY-WYNBNGFRSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]CCC1CC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001755822717 1440926270 /nfs/dbraw/zinc/92/62/70/1440926270.db2.gz VXIZTNGYGWCBJN-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000368294726 168338914 /nfs/dbraw/zinc/33/89/14/168338914.db2.gz VHIRHAFIMCNRCE-PKOBYXMFSA-N 2 0 345.531 3.253 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000052210119 214122944 /nfs/dbraw/zinc/12/29/44/214122944.db2.gz OGTWMPKDSGZRNV-GOSISDBHSA-N 2 0 340.458 3.442 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054241507 214226112 /nfs/dbraw/zinc/22/61/12/214226112.db2.gz AXQFBSJPAQKLSM-HIFRSBDPSA-N 2 0 325.294 3.312 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000175171844 282149666 /nfs/dbraw/zinc/14/96/66/282149666.db2.gz UMCMKUJFQAIUNP-UHFFFAOYSA-N 2 0 344.503 3.277 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(F)c1 ZINC000187781468 529633374 /nfs/dbraw/zinc/63/33/74/529633374.db2.gz UMGGMUXBJIODHZ-IBGZPJMESA-N 2 0 342.462 3.213 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159133117 529721527 /nfs/dbraw/zinc/72/15/27/529721527.db2.gz ZMQQYXQAQJWREN-KRWDZBQOSA-N 2 0 338.499 3.247 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000177956740 232041861 /nfs/dbraw/zinc/04/18/61/232041861.db2.gz ZEQGULIDURZERE-CABCVRRESA-N 2 0 330.476 3.081 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000356583244 283208521 /nfs/dbraw/zinc/20/85/21/283208521.db2.gz FVVBPKIYFYCXCG-UHFFFAOYSA-N 2 0 325.541 3.220 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2s1)CN1CC[NH+](C)CC1 ZINC000187956034 236355812 /nfs/dbraw/zinc/35/58/12/236355812.db2.gz HHRMGJGVAUUZAR-CVEARBPZSA-N 2 0 331.529 3.435 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)Cc3ccccc3)CC2)C1 ZINC000130415410 223150784 /nfs/dbraw/zinc/15/07/84/223150784.db2.gz WFTXAZNICODSCC-YYWHXJBOSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCS1 ZINC000131377645 223227227 /nfs/dbraw/zinc/22/72/27/223227227.db2.gz KSFPVKJRYKPXLA-MRXNPFEDSA-N 2 0 333.545 3.154 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132110010 223301436 /nfs/dbraw/zinc/30/14/36/223301436.db2.gz RTNRRFAOYHJTFT-AWEZNQCLSA-N 2 0 332.492 3.209 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000132373006 223325443 /nfs/dbraw/zinc/32/54/43/223325443.db2.gz UETQEZPUAHXPEK-SFTDATJTSA-N 2 0 329.532 3.308 20 0 EGADRP c1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000132776063 223361784 /nfs/dbraw/zinc/36/17/84/223361784.db2.gz VOGOLYBWGBKFMO-WIYYLYMNSA-N 2 0 328.500 3.098 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000237871060 242829460 /nfs/dbraw/zinc/82/94/60/242829460.db2.gz YIVTVXXBYGLEEO-YLJYHZDGSA-N 2 0 343.515 3.196 20 0 EGADRP C[N@H+](Cc1ccc2occc2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633593 169052296 /nfs/dbraw/zinc/05/22/96/169052296.db2.gz VOLGKPVQVXSECN-IBGZPJMESA-N 2 0 327.472 3.033 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378632932 169150209 /nfs/dbraw/zinc/15/02/09/169150209.db2.gz NKOVIQJGGPPAJC-GEALJGNFSA-N 2 0 334.479 3.330 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415083829 309119222 /nfs/dbraw/zinc/11/92/22/309119222.db2.gz FUMWOIHOQUPYED-OUCADQQQSA-N 2 0 341.293 3.496 20 0 EGADRP COc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1OC(F)F ZINC000092381170 218138422 /nfs/dbraw/zinc/13/84/22/218138422.db2.gz HRBOWNBMNFGBTF-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cn2ccccc2n1 ZINC000092821143 218172319 /nfs/dbraw/zinc/17/23/19/218172319.db2.gz GFFIVCMAORINLR-UHFFFAOYSA-N 2 0 349.482 3.468 20 0 EGADRP CCn1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000093006763 218184796 /nfs/dbraw/zinc/18/47/96/218184796.db2.gz AOVQVBRDMIVNIY-UHFFFAOYSA-N 2 0 326.488 3.247 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133112 218197085 /nfs/dbraw/zinc/19/70/85/218197085.db2.gz RIMSHAJZYXUXBS-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)s1 ZINC000095976749 218481544 /nfs/dbraw/zinc/48/15/44/218481544.db2.gz BHJLTTMKGMTNPY-AWEZNQCLSA-N 2 0 345.512 3.259 20 0 EGADRP COCc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000268813363 252264039 /nfs/dbraw/zinc/26/40/39/252264039.db2.gz UTWDMDPCKVIUFJ-UHFFFAOYSA-N 2 0 328.456 3.428 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000268872540 252320510 /nfs/dbraw/zinc/32/05/10/252320510.db2.gz GLRADIVYUHHAPK-KNXALSJPSA-N 2 0 331.287 3.347 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000069321992 285096764 /nfs/dbraw/zinc/09/67/64/285096764.db2.gz IXTZXSWZRVDYAB-UHFFFAOYSA-N 2 0 331.504 3.083 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000108115056 285273966 /nfs/dbraw/zinc/27/39/66/285273966.db2.gz MQIZFJNWHJYANY-PKOBYXMFSA-N 2 0 344.499 3.259 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000269089226 255527287 /nfs/dbraw/zinc/52/72/87/255527287.db2.gz QDBIGUANPXJALA-BBRMVZONSA-N 2 0 330.419 3.295 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344287917 285316689 /nfs/dbraw/zinc/31/66/89/285316689.db2.gz JFJXTOLIBLIMSD-SLFFLAALSA-N 2 0 332.463 3.171 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC000230246777 285338487 /nfs/dbraw/zinc/33/84/87/285338487.db2.gz NCISLTXGLIKPMC-SOLBZPMBSA-N 2 0 349.494 3.186 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1F ZINC000180644774 258014833 /nfs/dbraw/zinc/01/48/33/258014833.db2.gz PHPVIVWZSIHPRO-QAPCUYQASA-N 2 0 328.431 3.243 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1Cl ZINC000171644867 533446913 /nfs/dbraw/zinc/44/69/13/533446913.db2.gz LBGZXOQLUOKMDY-OAHLLOKOSA-N 2 0 344.890 3.338 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000153705434 533500879 /nfs/dbraw/zinc/50/08/79/533500879.db2.gz TTYPJQSYSLMEKZ-UMVBOHGHSA-N 2 0 342.430 3.157 20 0 EGADRP FC(F)Oc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298605206 132394228 /nfs/dbraw/zinc/39/42/28/132394228.db2.gz ZOIZGQJWADRSDK-UHFFFAOYSA-N 2 0 333.382 3.442 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000237535059 141006613 /nfs/dbraw/zinc/00/66/13/141006613.db2.gz VIHIBBUZHJPDHK-TZIWHRDSSA-N 2 0 329.532 3.363 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C)[C@H]2C)cc1 ZINC000356832600 141350669 /nfs/dbraw/zinc/35/06/69/141350669.db2.gz ASBKAXLFPZRQOJ-DLBZAZTESA-N 2 0 331.504 3.083 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000359601405 141383237 /nfs/dbraw/zinc/38/32/37/141383237.db2.gz UZGVGHBYRPVBEI-HLAWJBBLSA-N 2 0 347.547 3.016 20 0 EGADRP CC(C)OC(=O)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184754158 144099032 /nfs/dbraw/zinc/09/90/32/144099032.db2.gz QPLOJYLEWHKEQZ-IRXDYDNUSA-N 2 0 332.488 3.074 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000347032587 144251218 /nfs/dbraw/zinc/25/12/18/144251218.db2.gz ATUJOVXZQTXPSD-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847580 144315997 /nfs/dbraw/zinc/31/59/97/144315997.db2.gz ANJDENXNCQPZDI-QILLFSRXSA-N 2 0 349.494 3.088 20 0 EGADRP CO[C@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374695290 286041775 /nfs/dbraw/zinc/04/17/75/286041775.db2.gz SGRCUXLREAWKEZ-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP c1cnc2c(c1)cccc2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957416 296634421 /nfs/dbraw/zinc/63/44/21/296634421.db2.gz PBDYUJKDESGFNZ-UHFFFAOYSA-N 2 0 339.483 3.312 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341407059 155274745 /nfs/dbraw/zinc/27/47/45/155274745.db2.gz VDINVAMKCDQPMK-FXAWDEMLSA-N 2 0 343.515 3.203 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341407062 155274903 /nfs/dbraw/zinc/27/49/03/155274903.db2.gz VDINVAMKCDQPMK-YLJYHZDGSA-N 2 0 343.515 3.203 20 0 EGADRP COc1cc2c(c(C[NH2+]CCCCC[NH+]3CCCC3)c1)O[C@@H](C)C2 ZINC000339499020 286250938 /nfs/dbraw/zinc/25/09/38/286250938.db2.gz BFQSMPPLPFEVAA-INIZCTEOSA-N 2 0 332.488 3.374 20 0 EGADRP FC(F)(F)CN1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000120729278 152295934 /nfs/dbraw/zinc/29/59/34/152295934.db2.gz ZPVOGOKVAONMEJ-UHFFFAOYSA-N 2 0 347.469 3.257 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000375892676 286315352 /nfs/dbraw/zinc/31/53/52/286315352.db2.gz ZMQUTTMSEBEGIB-JCGIZDLHSA-N 2 0 332.488 3.160 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C(C)C)cc1 ZINC000091333592 286359008 /nfs/dbraw/zinc/35/90/08/286359008.db2.gz QRYUNMPVKAIKEF-FQEVSTJZSA-N 2 0 333.520 3.010 20 0 EGADRP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC(F)F ZINC000192798398 153260337 /nfs/dbraw/zinc/26/03/37/153260337.db2.gz LDVYRRDRBYPPPB-GOOCMWNKSA-N 2 0 340.414 3.054 20 0 EGADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCC2(CC1)OCCO2 ZINC000193377634 153289385 /nfs/dbraw/zinc/28/93/85/153289385.db2.gz ZVOGZFGUTJNOFV-UHFFFAOYSA-N 2 0 336.520 3.306 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CN1Cc1ccccc1 ZINC000194078172 153320425 /nfs/dbraw/zinc/32/04/25/153320425.db2.gz RPKSUSDIWWYLEW-HKUYMTLNSA-N 2 0 326.484 3.197 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262437045 153820336 /nfs/dbraw/zinc/82/03/36/153820336.db2.gz UKVPJEZNCGTXQZ-GHTZIAJQSA-N 2 0 341.499 3.391 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(CO)c1 ZINC000305676049 154101728 /nfs/dbraw/zinc/10/17/28/154101728.db2.gz ZWYRRZASWURRCA-RXVVDRJESA-N 2 0 338.495 3.394 20 0 EGADRP C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088349 154139289 /nfs/dbraw/zinc/13/92/89/154139289.db2.gz PHIUMTMIAPRFNO-QHAWAJNXSA-N 2 0 327.516 3.115 20 0 EGADRP OCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000310955928 154145155 /nfs/dbraw/zinc/14/51/55/154145155.db2.gz ZRTUBRKAESPOKJ-FGZHOGPDSA-N 2 0 336.479 3.133 20 0 EGADRP Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC000337349381 154299340 /nfs/dbraw/zinc/29/93/40/154299340.db2.gz PLKISJDCXWUJJN-KRWDZBQOSA-N 2 0 340.471 3.031 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000337383567 154324317 /nfs/dbraw/zinc/32/43/17/154324317.db2.gz KAIHGIXQFZQITH-CGTJXYLNSA-N 2 0 332.488 3.160 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347003934 156239629 /nfs/dbraw/zinc/23/96/29/156239629.db2.gz ADNOFTRYDIUPCV-IAGOWNOFSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000348892119 156277616 /nfs/dbraw/zinc/27/76/16/156277616.db2.gz HSWWFJVYOKEBNY-RBUKOAKNSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000365406669 157115837 /nfs/dbraw/zinc/11/58/37/157115837.db2.gz XEBQFJXNKZHKIU-AWEZNQCLSA-N 2 0 341.858 3.224 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000107371371 162065531 /nfs/dbraw/zinc/06/55/31/162065531.db2.gz AWPWHPCOEDSQLO-OAQYLSRUSA-N 2 0 329.532 3.097 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000110919236 162137478 /nfs/dbraw/zinc/13/74/78/162137478.db2.gz RSLLRUJQAASJMS-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121658341 162245044 /nfs/dbraw/zinc/24/50/44/162245044.db2.gz FLCQMDKEDJSRGX-IBGZPJMESA-N 2 0 347.503 3.076 20 0 EGADRP Cc1ccccc1NC(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123379819 162256973 /nfs/dbraw/zinc/25/69/73/162256973.db2.gz JQYAKAYETGVOMY-UHFFFAOYSA-N 2 0 331.504 3.377 20 0 EGADRP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)CCC[NH+]1CCCC1 ZINC000337269824 163189391 /nfs/dbraw/zinc/18/93/91/163189391.db2.gz MHCIMXXIZPOPLV-ROUUACIJSA-N 2 0 343.515 3.161 20 0 EGADRP Cc1ccc2c(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)ccc(O)c2n1 ZINC000338317261 163211726 /nfs/dbraw/zinc/21/17/26/163211726.db2.gz PRWDTSWDKCDHTL-QGZVFWFLSA-N 2 0 339.483 3.413 20 0 EGADRP CO[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000338571167 163276701 /nfs/dbraw/zinc/27/67/01/163276701.db2.gz OTQRFXWYHKFSKP-OAQYLSRUSA-N 2 0 346.515 3.199 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000354807567 166036850 /nfs/dbraw/zinc/03/68/50/166036850.db2.gz DSXNFDKSOFBJSK-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000343992126 164078130 /nfs/dbraw/zinc/07/81/30/164078130.db2.gz RIMYSSJPYNRVKL-KRWDZBQOSA-N 2 0 343.496 3.349 20 0 EGADRP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000343988913 164078492 /nfs/dbraw/zinc/07/84/92/164078492.db2.gz OWXXKRHBAIXUQQ-ZDUSSCGKSA-N 2 0 348.516 3.336 20 0 EGADRP CN(c1ccccc1C[NH2+]CCC1CCOCC1)C1CC[NH+](C)CC1 ZINC000344336968 164160266 /nfs/dbraw/zinc/16/02/66/164160266.db2.gz CNQMSQJAPPVWQW-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000344438970 164179182 /nfs/dbraw/zinc/17/91/82/164179182.db2.gz KKKNGQJZLPNZGB-OALUTQOASA-N 2 0 333.520 3.162 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000344451517 164181634 /nfs/dbraw/zinc/18/16/34/164181634.db2.gz BYQLQPPUTSGFQS-IRXDYDNUSA-N 2 0 347.503 3.219 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000344451514 164181918 /nfs/dbraw/zinc/18/19/18/164181918.db2.gz BYQLQPPUTSGFQS-CALCHBBNSA-N 2 0 347.503 3.219 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](CC)CC ZINC000346154182 164351767 /nfs/dbraw/zinc/35/17/67/164351767.db2.gz SNLAVGNXSDOIOY-CEXWTWQISA-N 2 0 337.552 3.220 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(Cl)c1OC ZINC000350178097 165016420 /nfs/dbraw/zinc/01/64/20/165016420.db2.gz WVPQCBCJQVIQRH-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000350319811 165029619 /nfs/dbraw/zinc/02/96/19/165029619.db2.gz FWIZGHVJMJLVIE-GOEBONIOSA-N 2 0 326.431 3.459 20 0 EGADRP CC[C@@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000354989777 166080799 /nfs/dbraw/zinc/08/07/99/166080799.db2.gz HXVXMSCHKMGFRI-IBGZPJMESA-N 2 0 331.504 3.240 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000352140387 165255583 /nfs/dbraw/zinc/25/55/83/165255583.db2.gz LGGANSDRPZSOCH-FQEVSTJZSA-N 2 0 345.531 3.455 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353435427 165770610 /nfs/dbraw/zinc/77/06/10/165770610.db2.gz AAULIXHCJJFYSB-MOPGFXCFSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000359737817 167219187 /nfs/dbraw/zinc/21/91/87/167219187.db2.gz URKFBBFFXIHSMH-CZUORRHYSA-N 2 0 330.394 3.195 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360554344 167356684 /nfs/dbraw/zinc/35/66/84/167356684.db2.gz VZMLJPCKJVIMPQ-INIZCTEOSA-N 2 0 328.378 3.160 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3cccc(Cl)c3)C2)CC1 ZINC000366867910 168150300 /nfs/dbraw/zinc/15/03/00/168150300.db2.gz WGZRLJRWARFCDI-UHFFFAOYSA-N 2 0 335.879 3.086 20 0 EGADRP CC[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000366951329 168160644 /nfs/dbraw/zinc/16/06/44/168160644.db2.gz IVVZQEISAWXYGF-VQTJNVASSA-N 2 0 326.488 3.373 20 0 EGADRP C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030481 168170008 /nfs/dbraw/zinc/17/00/08/168170008.db2.gz QSFDFKFAPPWDSU-FXAWDEMLSA-N 2 0 349.950 3.230 20 0 EGADRP Cc1cc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000367600793 168247760 /nfs/dbraw/zinc/24/77/60/168247760.db2.gz ZWOCOZIZQFEECO-DFQSSKMNSA-N 2 0 325.456 3.026 20 0 EGADRP Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(-c2cccs2)n1 ZINC000367681500 168258010 /nfs/dbraw/zinc/25/80/10/168258010.db2.gz CJYJZPGOAAMPKL-MRXNPFEDSA-N 2 0 344.528 3.312 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000158949587 225114945 /nfs/dbraw/zinc/11/49/45/225114945.db2.gz MBQVEFUPLHXOHK-KRWDZBQOSA-N 2 0 343.515 3.262 20 0 EGADRP O=C(CC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000166410885 226156425 /nfs/dbraw/zinc/15/64/25/226156425.db2.gz RBBZHTUWTCZWGF-UHFFFAOYSA-N 2 0 343.515 3.069 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)CC2 ZINC000122309285 222057813 /nfs/dbraw/zinc/05/78/13/222057813.db2.gz VVDKOALOCBWZAB-HXUWFJFHSA-N 2 0 340.467 3.413 20 0 EGADRP COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122322477 222060696 /nfs/dbraw/zinc/06/06/96/222060696.db2.gz AEHMOSRQPKNSSL-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123207801 222235575 /nfs/dbraw/zinc/23/55/75/222235575.db2.gz WWKZFSIYOCZGBT-OAHLLOKOSA-N 2 0 343.475 3.246 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000174407233 265048101 /nfs/dbraw/zinc/04/81/01/265048101.db2.gz HEOCAVSEWKVUOG-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000194260342 266102251 /nfs/dbraw/zinc/10/22/51/266102251.db2.gz DHDXZTPNYPNMEF-RXVVDRJESA-N 2 0 347.547 3.398 20 0 EGADRP CC(C)[NH2+]C1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195166234 266164276 /nfs/dbraw/zinc/16/42/76/266164276.db2.gz FUUZPJANZLZOAO-LJQANCHMSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCC([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 ZINC000224406099 266198262 /nfs/dbraw/zinc/19/82/62/266198262.db2.gz IGYZISFZBIAWEL-UHFFFAOYSA-N 2 0 327.513 3.144 20 0 EGADRP C[N@@H+](CCc1ccc(Br)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000259009669 266264236 /nfs/dbraw/zinc/26/42/36/266264236.db2.gz MXQBTJFKJJIOLI-OAHLLOKOSA-N 2 0 325.294 3.313 20 0 EGADRP CCCC[C@H](COC)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000268880376 266284610 /nfs/dbraw/zinc/28/46/10/266284610.db2.gz MQBDHJMQMFCIJP-NHCUHLMSSA-N 2 0 348.531 3.227 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000270492051 266518978 /nfs/dbraw/zinc/51/89/78/266518978.db2.gz ATJYLISKVOTFMB-KRWDZBQOSA-N 2 0 333.495 3.377 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273446134 267040303 /nfs/dbraw/zinc/04/03/03/267040303.db2.gz ZZNGLKADAHFEMB-LJQANCHMSA-N 2 0 335.923 3.335 20 0 EGADRP Cc1cc(C)n(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000274852133 267297604 /nfs/dbraw/zinc/29/76/04/267297604.db2.gz REIDNKXTSAXMOZ-OXJNMPFZSA-N 2 0 326.488 3.000 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCCc3ccccc3)CC2)CC1 ZINC000274865351 267298205 /nfs/dbraw/zinc/29/82/05/267298205.db2.gz VMSBXQHCMNULCR-UHFFFAOYSA-N 2 0 343.559 3.500 20 0 EGADRP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924625 267306826 /nfs/dbraw/zinc/30/68/26/267306826.db2.gz PPWITBKFPGHSBP-HKUYNNGSSA-N 2 0 327.516 3.113 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000275869572 267442187 /nfs/dbraw/zinc/44/21/87/267442187.db2.gz YTTBYIOEIYCZFC-GOSISDBHSA-N 2 0 347.522 3.420 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000278447372 268014686 /nfs/dbraw/zinc/01/46/86/268014686.db2.gz IBSYNIOOJIMUFF-MSOLQXFVSA-N 2 0 342.487 3.024 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000278460669 268018361 /nfs/dbraw/zinc/01/83/61/268018361.db2.gz MPWHIICIGPMTPU-INIZCTEOSA-N 2 0 341.499 3.338 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000361529290 274135329 /nfs/dbraw/zinc/13/53/29/274135329.db2.gz DJNQLTPAKCFLQU-HRAATJIYSA-N 2 0 344.499 3.163 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000044533221 275131763 /nfs/dbraw/zinc/13/17/63/275131763.db2.gz RWSBXSFRIVIDNA-CHWSQXEVSA-N 2 0 341.293 3.450 20 0 EGADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000194844260 275227943 /nfs/dbraw/zinc/22/79/43/275227943.db2.gz YVNCDXBZGVCNTA-AEFFLSMTSA-N 2 0 335.561 3.331 20 0 EGADRP C[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237432977 275231604 /nfs/dbraw/zinc/23/16/04/275231604.db2.gz BNUKIIKWAAQROG-QFBILLFUSA-N 2 0 331.504 3.093 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278734734 275270007 /nfs/dbraw/zinc/27/00/07/275270007.db2.gz WLCKQUSAWBCTNF-HKUYNNGSSA-N 2 0 332.488 3.299 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)c2ccccc21 ZINC000278852347 275280811 /nfs/dbraw/zinc/28/08/11/275280811.db2.gz VSBRRAMFSDGBMM-JRGCBEDISA-N 2 0 329.532 3.487 20 0 EGADRP COCCSCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000278924573 275288027 /nfs/dbraw/zinc/28/80/27/275288027.db2.gz VJIWLSRUMRZXLK-HKUYNNGSSA-N 2 0 336.545 3.256 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000279758565 275356839 /nfs/dbraw/zinc/35/68/39/275356839.db2.gz RDCYLCKTIXONHK-SIKLNZKXSA-N 2 0 338.495 3.161 20 0 EGADRP Cn1c(Cl)cnc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000281747871 275572956 /nfs/dbraw/zinc/57/29/56/275572956.db2.gz QVXBJFYJSPOFMI-UHFFFAOYSA-N 2 0 332.879 3.075 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000282301269 275620347 /nfs/dbraw/zinc/62/03/47/275620347.db2.gz SOQBVZMEXPJWRM-FQEVSTJZSA-N 2 0 346.515 3.108 20 0 EGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000187224346 275672197 /nfs/dbraw/zinc/67/21/97/275672197.db2.gz QQFDKOROSLDUFV-PZJWPPBQSA-N 2 0 330.516 3.344 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000284064484 275771497 /nfs/dbraw/zinc/77/14/97/275771497.db2.gz KZVDMOQXUVQLFB-LJQANCHMSA-N 2 0 346.544 3.471 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000285808962 275914802 /nfs/dbraw/zinc/91/48/02/275914802.db2.gz VRDKFRVEROZRST-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000286978320 276065812 /nfs/dbraw/zinc/06/58/12/276065812.db2.gz IWFXWFWQCFPSOQ-POAQFYNOSA-N 2 0 333.520 3.149 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000339008880 276100432 /nfs/dbraw/zinc/10/04/32/276100432.db2.gz ALSDZMRNTMVTTM-LJQANCHMSA-N 2 0 333.520 3.446 20 0 EGADRP COc1cc([C@H](C)NCc2ccccc2OCC[NH+](C)C)c(F)cn1 ZINC000287606772 276138901 /nfs/dbraw/zinc/13/89/01/276138901.db2.gz IXEDDKGRSOHNBA-AWEZNQCLSA-N 2 0 347.434 3.021 20 0 EGADRP COC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000287699706 276148431 /nfs/dbraw/zinc/14/84/31/276148431.db2.gz NOESUEPOJLAZFS-MRXNPFEDSA-N 2 0 328.859 3.488 20 0 EGADRP COC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845830 276162786 /nfs/dbraw/zinc/16/27/86/276162786.db2.gz WMBXPCLXFNNEDO-BLLLJJGKSA-N 2 0 326.843 3.241 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287904237 276168234 /nfs/dbraw/zinc/16/82/34/276168234.db2.gz ZUNARHMIJFXQHI-DLBZAZTESA-N 2 0 327.476 3.038 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)CC1 ZINC000268855367 276203169 /nfs/dbraw/zinc/20/31/69/276203169.db2.gz GRAKASKGIJXYPY-HRCADAONSA-N 2 0 337.483 3.042 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc21 ZINC000289185114 276301413 /nfs/dbraw/zinc/30/14/13/276301413.db2.gz INJMALMQGIYUFQ-UZLBHIALSA-N 2 0 336.483 3.172 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)c1 ZINC000289355072 276326846 /nfs/dbraw/zinc/32/68/46/276326846.db2.gz XZADMPOTWSTFRW-CQSZACIVSA-N 2 0 333.501 3.326 20 0 EGADRP CC[C@H](c1cccc(OC)c1)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000289363494 276328083 /nfs/dbraw/zinc/32/80/83/276328083.db2.gz HOZCUBHKVWEEOL-OAQYLSRUSA-N 2 0 347.547 3.494 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000289509800 276350037 /nfs/dbraw/zinc/35/00/37/276350037.db2.gz UPWSXOHZBSXDKZ-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000162586072 277105813 /nfs/dbraw/zinc/10/58/13/277105813.db2.gz OHWIBWUIKVJLQK-INIZCTEOSA-N 2 0 342.314 3.208 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000347223056 277264843 /nfs/dbraw/zinc/26/48/43/277264843.db2.gz UWTGJTALOQGAOA-UHFFFAOYSA-N 2 0 326.488 3.427 20 0 EGADRP C[C@@H](CC(N)=O)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000340539903 277560879 /nfs/dbraw/zinc/56/08/79/277560879.db2.gz DFAGWNRNHMQWQS-LPHOPBHVSA-N 2 0 349.494 3.232 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000360717872 278336588 /nfs/dbraw/zinc/33/65/88/278336588.db2.gz KDSAZJGEIXQYGR-HZPDHXFCSA-N 2 0 348.560 3.355 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000340208942 278343644 /nfs/dbraw/zinc/34/36/44/278343644.db2.gz ZTIWNPKPBXOHIX-TZIWHRDSSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000364684775 278884747 /nfs/dbraw/zinc/88/47/47/278884747.db2.gz JPIKQSJQVLIPJE-HZPDHXFCSA-N 2 0 336.549 3.070 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168661407 279177162 /nfs/dbraw/zinc/17/71/62/279177162.db2.gz MIXYHJYNVFNQHO-WMZOPIPTSA-N 2 0 331.504 3.140 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)cc1)C(C)C ZINC000108781712 279235433 /nfs/dbraw/zinc/23/54/33/279235433.db2.gz FQPQIXZUZCIEHA-GOSISDBHSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000359970145 279254134 /nfs/dbraw/zinc/25/41/34/279254134.db2.gz KUSYZRMGLRWTLL-PBHICJAKSA-N 2 0 344.421 3.464 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000366877953 280391491 /nfs/dbraw/zinc/39/14/91/280391491.db2.gz CPCKAEJIEPZYGG-UHFFFAOYSA-N 2 0 343.515 3.358 20 0 EGADRP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc(O)c2n1 ZINC000338276222 281045912 /nfs/dbraw/zinc/04/59/12/281045912.db2.gz CJPUOLMFVKPUCA-FUHWJXTLSA-N 2 0 325.456 3.165 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000357787414 290392433 /nfs/dbraw/zinc/39/24/33/290392433.db2.gz HQIAJQJHHCOOCK-UWJYYQICSA-N 2 0 343.515 3.209 20 0 EGADRP COc1ccc(C[N@H+](CC2CCC2)C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000261650372 295126432 /nfs/dbraw/zinc/12/64/32/295126432.db2.gz BAGNXZMRQXGLHC-QGZVFWFLSA-N 2 0 332.488 3.306 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000261625994 295315234 /nfs/dbraw/zinc/31/52/34/295315234.db2.gz BHLVCWVPLTZQER-FXAWDEMLSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H]1C[N@@H+]([C@H]2CCc3ccc(Cl)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343753383 300294120 /nfs/dbraw/zinc/29/41/20/300294120.db2.gz SWTGRELVOFNHOY-YWZLYKJASA-N 2 0 347.934 3.428 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000158979517 533695974 /nfs/dbraw/zinc/69/59/74/533695974.db2.gz YWYSMRVECLKFGF-GSTYJUAJSA-N 2 0 340.515 3.408 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCc1ccc(C[NH+](C)C)cc1)C(C)C ZINC000080658878 307434478 /nfs/dbraw/zinc/43/44/78/307434478.db2.gz CGLVBIKVHBWYGO-UHFFFAOYSA-N 2 0 348.535 3.056 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000113441298 307476066 /nfs/dbraw/zinc/47/60/66/307476066.db2.gz LSIFGAGZFDQHLU-LBPRGKRZSA-N 2 0 331.287 3.348 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414076694 309059514 /nfs/dbraw/zinc/05/95/14/309059514.db2.gz QGXDIEWTCUXLTM-QGZVFWFLSA-N 2 0 338.499 3.392 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414115279 309061777 /nfs/dbraw/zinc/06/17/77/309061777.db2.gz MSFONYXWZZGUFL-SUMDDJOVSA-N 2 0 335.923 3.202 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414128023 309062525 /nfs/dbraw/zinc/06/25/25/309062525.db2.gz SSKZVVXBNGXBPI-SJLPKXTDSA-N 2 0 336.907 3.413 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1csc(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000414130632 309062710 /nfs/dbraw/zinc/06/27/10/309062710.db2.gz WVCHYQGXMLMIEF-HZPDHXFCSA-N 2 0 344.528 3.097 20 0 EGADRP CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000134586745 307690387 /nfs/dbraw/zinc/69/03/87/307690387.db2.gz NQMVNUNCFHGCKF-OAQYLSRUSA-N 2 0 343.515 3.211 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000414168689 309064438 /nfs/dbraw/zinc/06/44/38/309064438.db2.gz APYRVIAVZWZXCB-CVEARBPZSA-N 2 0 348.487 3.464 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414173800 309064626 /nfs/dbraw/zinc/06/46/26/309064626.db2.gz GDXVKLNHNCWGDA-ICSRJNTNSA-N 2 0 341.503 3.039 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000414176112 309064870 /nfs/dbraw/zinc/06/48/70/309064870.db2.gz HZJFPYKDSNLTKL-ZFWWWQNUSA-N 2 0 325.522 3.023 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000414191386 309065885 /nfs/dbraw/zinc/06/58/85/309065885.db2.gz RWADOOYMOKKBHO-NSISKUIASA-N 2 0 344.499 3.490 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414191434 309065983 /nfs/dbraw/zinc/06/59/83/309065983.db2.gz SMAFELWXZIKQMB-JKSUJKDBSA-N 2 0 344.503 3.353 20 0 EGADRP Cc1occc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000414271576 309069864 /nfs/dbraw/zinc/06/98/64/309069864.db2.gz QWUVTCVKNPMZRB-HZPDHXFCSA-N 2 0 328.456 3.487 20 0 EGADRP Cc1occc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000414274029 309070197 /nfs/dbraw/zinc/07/01/97/309070197.db2.gz PBXUVIAARJATMP-FQEVSTJZSA-N 2 0 327.472 3.056 20 0 EGADRP Cc1occc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414292488 309070897 /nfs/dbraw/zinc/07/08/97/309070897.db2.gz LOEBSVRYPQBOKI-IYBDPMFKSA-N 2 0 328.456 3.487 20 0 EGADRP CC1CCC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414329461 309073262 /nfs/dbraw/zinc/07/32/62/309073262.db2.gz QOEGZGSRWOMFJW-UHFFFAOYSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000164957565 307928622 /nfs/dbraw/zinc/92/86/22/307928622.db2.gz CSEUZKQWJYDBPI-MOPGFXCFSA-N 2 0 331.504 3.093 20 0 EGADRP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248422477 308003157 /nfs/dbraw/zinc/00/31/57/308003157.db2.gz YPSYNBPYBYIEQO-JRSUCEMESA-N 2 0 328.500 3.038 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000248634880 308007993 /nfs/dbraw/zinc/00/79/93/308007993.db2.gz JYTGSWILJIJQIT-IMFGXOCKSA-N 2 0 334.504 3.481 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000249133021 308020035 /nfs/dbraw/zinc/02/00/35/308020035.db2.gz YHWQPDFAHXCGQZ-XYPHTWIQSA-N 2 0 326.843 3.383 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000262639677 308064897 /nfs/dbraw/zinc/06/48/97/308064897.db2.gz JNNSIUIPUOFNQO-AABGKKOBSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCc3nc(-c4ccccc4)no3)C2)C1 ZINC000292966654 308085064 /nfs/dbraw/zinc/08/50/64/308085064.db2.gz LWJGAMKUPFZZPB-FQEVSTJZSA-N 2 0 340.471 3.087 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292997966 308088400 /nfs/dbraw/zinc/08/84/00/308088400.db2.gz OPCXNDYAGYLGFK-DNVCBOLYSA-N 2 0 326.444 3.215 20 0 EGADRP Cc1sccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000293143812 308103515 /nfs/dbraw/zinc/10/35/15/308103515.db2.gz DCZNZWJASGOTJS-LJQANCHMSA-N 2 0 330.497 3.303 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1OC ZINC000293695098 308153206 /nfs/dbraw/zinc/15/32/06/308153206.db2.gz LNIWUFKCGUDWFK-KRWDZBQOSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)CN1CC[NH+](C)CC1 ZINC000293765369 308160018 /nfs/dbraw/zinc/16/00/18/308160018.db2.gz PGWIOKHCQYVFFM-OXQOHEQNSA-N 2 0 349.950 3.134 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H](O)C(C)C ZINC000414530993 309086860 /nfs/dbraw/zinc/08/68/60/309086860.db2.gz RFPZVHMBUJLKDW-FPOVZHCZSA-N 2 0 347.547 3.102 20 0 EGADRP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+](Cc2ccccc2)C1 ZINC000295122711 308294238 /nfs/dbraw/zinc/29/42/38/308294238.db2.gz XOYHLPMYRWHWFH-BELYLAKWSA-N 2 0 327.516 3.112 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000295209103 308302929 /nfs/dbraw/zinc/30/29/29/308302929.db2.gz PVNZUZRLUOVUIP-PXNSSMCTSA-N 2 0 339.483 3.022 20 0 EGADRP [NH3+]Cc1ccc(-c2noc(-c3ccccc3CC3CC[NH2+]CC3)n2)cc1 ZINC000414644278 309093382 /nfs/dbraw/zinc/09/33/82/309093382.db2.gz LYVRNVRFTTXCPR-UHFFFAOYSA-N 2 0 348.450 3.404 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCc1ccccc1 ZINC000414654223 309093900 /nfs/dbraw/zinc/09/39/00/309093900.db2.gz BPFMTKIUXFKLNN-QFBILLFUSA-N 2 0 340.467 3.443 20 0 EGADRP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697860 309095989 /nfs/dbraw/zinc/09/59/89/309095989.db2.gz CLCYVDCEMQZJNK-NRSPTQNISA-N 3 0 329.532 3.219 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC[NH2+]1 ZINC000414715668 309097073 /nfs/dbraw/zinc/09/70/73/309097073.db2.gz ZBJGNEKGCVHHOJ-JKIFEVAISA-N 2 0 340.414 3.049 20 0 EGADRP CCOc1cc2c(cc1OCC)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414682058 309095215 /nfs/dbraw/zinc/09/52/15/309095215.db2.gz XNCYUKKIOTZJAW-HOTGVXAUSA-N 2 0 332.488 3.230 20 0 EGADRP CCCC1CCC([N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)CC1 ZINC000414692412 309095730 /nfs/dbraw/zinc/09/57/30/309095730.db2.gz QATLLSYABZKMPI-JLAWEPINSA-N 2 0 337.552 3.253 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414743511 309098455 /nfs/dbraw/zinc/09/84/55/309098455.db2.gz HGMHKQYQYZDKDC-NVXWUHKLSA-N 2 0 326.488 3.370 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC[NH2+]1 ZINC000414749440 309098676 /nfs/dbraw/zinc/09/86/76/309098676.db2.gz PYUJTDTZJSOMBU-KGLIPLIRSA-N 2 0 336.426 3.248 20 0 EGADRP CCOc1c(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414763873 309099333 /nfs/dbraw/zinc/09/93/33/309099333.db2.gz CRSQDCWOFCYHPZ-GASCZTMLSA-N 2 0 338.879 3.179 20 0 EGADRP C[C@@H](O)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000414768318 309099622 /nfs/dbraw/zinc/09/96/22/309099622.db2.gz USBJQHPDLCULQZ-HPFXQQBRSA-N 2 0 338.923 3.342 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC(F)F ZINC000414778974 309100489 /nfs/dbraw/zinc/10/04/89/309100489.db2.gz JVGQGQLSELDEMT-LSDHHAIUSA-N 2 0 340.414 3.118 20 0 EGADRP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778443 309100499 /nfs/dbraw/zinc/10/04/99/309100499.db2.gz IWDLRABZIVSECH-GJZGRUSLSA-N 2 0 328.485 3.027 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414782239 309100903 /nfs/dbraw/zinc/10/09/03/309100903.db2.gz OBSKKYWRJXPDMP-MSOLQXFVSA-N 2 0 332.488 3.306 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000414789192 309101462 /nfs/dbraw/zinc/10/14/62/309101462.db2.gz XXOBLKCMFQLDDV-GJZGRUSLSA-N 2 0 330.501 3.095 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000414793952 309101876 /nfs/dbraw/zinc/10/18/76/309101876.db2.gz UXHSFNFIJVVRRW-CVEARBPZSA-N 2 0 328.378 3.034 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CN3CC[NH2+]Cc4ccccc43)sc2C1 ZINC000414822331 309103833 /nfs/dbraw/zinc/10/38/33/309103833.db2.gz DURINBQNXFITKC-UHFFFAOYSA-N 2 0 342.512 3.019 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000414835994 309104587 /nfs/dbraw/zinc/10/45/87/309104587.db2.gz JASKGDWKYQQXJI-OAHLLOKOSA-N 2 0 344.503 3.259 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000310254084 308763558 /nfs/dbraw/zinc/76/35/58/308763558.db2.gz KXJWNDFWNPKMOO-RDJZCZTQSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414847762 309105327 /nfs/dbraw/zinc/10/53/27/309105327.db2.gz GBUBJHDBIWJRAK-YPMHNXCESA-N 2 0 334.357 3.245 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333824369 308869097 /nfs/dbraw/zinc/86/90/97/308869097.db2.gz IFSGQFPXGRQACM-NQIIRXRSSA-N 2 0 339.483 3.438 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411673049 308948061 /nfs/dbraw/zinc/94/80/61/308948061.db2.gz SHGBJSNFPHEZSE-HNNXBMFYSA-N 2 0 349.544 3.048 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000413168301 309019361 /nfs/dbraw/zinc/01/93/61/309019361.db2.gz LAVBPYQMXUZOQY-OAHLLOKOSA-N 2 0 343.471 3.420 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414848919 309105402 /nfs/dbraw/zinc/10/54/02/309105402.db2.gz GWLMFQMKVWRXFC-JSGCOSHPSA-N 2 0 326.868 3.225 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414887199 309107279 /nfs/dbraw/zinc/10/72/79/309107279.db2.gz ZCKYSHAQSDQKQC-HNNXBMFYSA-N 2 0 340.496 3.344 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414901322 309108252 /nfs/dbraw/zinc/10/82/52/309108252.db2.gz FVSPKGWSXIRNJD-KDOFPFPSSA-N 2 0 337.895 3.345 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)cc2)cs1 ZINC000414936080 309110178 /nfs/dbraw/zinc/11/01/78/309110178.db2.gz GOIWEOIILBEXMY-FZKQIMNGSA-N 2 0 331.485 3.118 20 0 EGADRP CC1([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[NH2+]CC1 ZINC000414941610 309110334 /nfs/dbraw/zinc/11/03/34/309110334.db2.gz LTCOJBZQIBKEJW-UHFFFAOYSA-N 2 0 349.219 3.282 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(F)ccc1Br ZINC000415001389 309113688 /nfs/dbraw/zinc/11/36/88/309113688.db2.gz YCQLPDKOWJOTLA-NWSOVMFYSA-N 2 0 327.241 3.194 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011903 309114296 /nfs/dbraw/zinc/11/42/96/309114296.db2.gz RKRPQMOCMCYPDN-AFAVFJNCSA-N 2 0 337.305 3.358 20 0 EGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415014556 309114356 /nfs/dbraw/zinc/11/43/56/309114356.db2.gz MRPHMMSSNMVZMI-OLZOCXBDSA-N 2 0 341.883 3.173 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000415027715 309115168 /nfs/dbraw/zinc/11/51/68/309115168.db2.gz XHAXMANYEBRRRY-CYBMUJFWSA-N 2 0 340.393 3.167 20 0 EGADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415029444 309115352 /nfs/dbraw/zinc/11/53/52/309115352.db2.gz BBXOYRVVNIGSHT-SLFFLAALSA-N 2 0 332.488 3.078 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415033125 309115548 /nfs/dbraw/zinc/11/55/48/309115548.db2.gz IOYHJIJMUMCJHH-WBVHZDCISA-N 2 0 326.488 3.387 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cc2)cs1 ZINC000415034252 309115665 /nfs/dbraw/zinc/11/56/65/309115665.db2.gz JUKYOCIPZKFQMN-CVEARBPZSA-N 2 0 331.485 3.248 20 0 EGADRP CC(C)COc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415058573 309117481 /nfs/dbraw/zinc/11/74/81/309117481.db2.gz UCNWPYJSUKEEEZ-UHFFFAOYSA-N 2 0 345.531 3.027 20 0 EGADRP CCc1ccccc1[C@@H]([NH3+])CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000415068216 309118194 /nfs/dbraw/zinc/11/81/94/309118194.db2.gz QRSWZFNIELCENV-KRWDZBQOSA-N 2 0 343.437 3.255 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1OCC[NH+](C)C ZINC000415075128 309118599 /nfs/dbraw/zinc/11/85/99/309118599.db2.gz BBWGAPOYQRKWQR-MJGOQNOKSA-N 2 0 333.520 3.027 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415085064 309119172 /nfs/dbraw/zinc/11/91/72/309119172.db2.gz HTJSWFQDQIONEP-NZSAHSFTSA-N 2 0 335.536 3.068 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1-n1ccnc1 ZINC000415087445 309119273 /nfs/dbraw/zinc/11/92/73/309119273.db2.gz UODSDJFAYIYRPK-CGTJXYLNSA-N 2 0 328.435 3.022 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000415090968 309119713 /nfs/dbraw/zinc/11/97/13/309119713.db2.gz YGSKNWCBHVKPAA-UHFFFAOYSA-N 2 0 341.455 3.490 20 0 EGADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415104285 309120565 /nfs/dbraw/zinc/12/05/65/309120565.db2.gz KQFXRHXLUJIHBG-NJDAHSKKSA-N 2 0 342.531 3.161 20 0 EGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000415142980 309123497 /nfs/dbraw/zinc/12/34/97/309123497.db2.gz QYARQZLZLXGULD-UHFFFAOYSA-N 2 0 336.888 3.354 20 0 EGADRP C[C@H](CCC[NH3+])NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415384338 309132374 /nfs/dbraw/zinc/13/23/74/309132374.db2.gz CSVJYJZQTJLEBK-QGZVFWFLSA-N 2 0 346.519 3.210 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000415927928 309149240 /nfs/dbraw/zinc/14/92/40/309149240.db2.gz DWASGMIBPCEHRF-JKSUJKDBSA-N 2 0 332.492 3.181 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415960747 309151366 /nfs/dbraw/zinc/15/13/66/309151366.db2.gz CAWZEMVFLZNACW-NSHDSACASA-N 2 0 346.397 3.016 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000415982767 309152780 /nfs/dbraw/zinc/15/27/80/309152780.db2.gz YGZYEKVBWIUCGR-IBGZPJMESA-N 2 0 338.455 3.104 20 0 EGADRP C[C@H](CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000416196655 309163344 /nfs/dbraw/zinc/16/33/44/309163344.db2.gz HLZSDYNBOHBGGS-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000416849661 309183673 /nfs/dbraw/zinc/18/36/73/309183673.db2.gz YNFYRGYUAKJQIO-RBUKOAKNSA-N 2 0 348.535 3.084 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417308965 309201135 /nfs/dbraw/zinc/20/11/35/309201135.db2.gz INCPAKKQLCKNQS-MWTISTBLSA-N 2 0 334.529 3.208 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000417353282 309202649 /nfs/dbraw/zinc/20/26/49/309202649.db2.gz ILHZQKHVKFATGE-XUVXKRRUSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@H](CCC[NH3+])NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000417709053 309219099 /nfs/dbraw/zinc/21/90/99/309219099.db2.gz SPSXAVVTCDMPDK-IAGOWNOFSA-N 2 0 346.519 3.077 20 0 EGADRP CCC(CC)(CNC(=O)NCC1([NH3+])CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000417714436 309219389 /nfs/dbraw/zinc/21/93/89/309219389.db2.gz ZVFQDJHMCIKYNS-MRXNPFEDSA-N 2 0 346.519 3.077 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000418176469 309238766 /nfs/dbraw/zinc/23/87/66/309238766.db2.gz HBIAVDZRNBHFOH-NEWSRXKRSA-N 2 0 348.535 3.001 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(COC)CC2)CC1 ZINC000419814274 309272486 /nfs/dbraw/zinc/27/24/86/309272486.db2.gz IDRQJBOAFDLITM-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420301299 309280472 /nfs/dbraw/zinc/28/04/72/309280472.db2.gz AMULHAXNYDPIEO-HKBOAZHASA-N 3 0 329.532 3.048 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CCC2)c1 ZINC000420316181 309281613 /nfs/dbraw/zinc/28/16/13/309281613.db2.gz LLJIWAPDFGLWBI-FUHWJXTLSA-N 2 0 332.488 3.051 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337099 309283052 /nfs/dbraw/zinc/28/30/52/309283052.db2.gz JKILTUQISVAEIO-GUYCJALGSA-N 2 0 335.879 3.131 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336640 309283059 /nfs/dbraw/zinc/28/30/59/309283059.db2.gz IYVYJXWZBNVBNP-FUHWJXTLSA-N 2 0 329.488 3.094 20 0 EGADRP Fc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000420336165 309283091 /nfs/dbraw/zinc/28/30/91/309283091.db2.gz LOKZIZMLMYBRJM-MRXNPFEDSA-N 2 0 326.843 3.322 20 0 EGADRP FC(F)Oc1ccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420354207 309283587 /nfs/dbraw/zinc/28/35/87/309283587.db2.gz CMWBTOCRIIURRT-KRWDZBQOSA-N 2 0 340.414 3.051 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000420357296 309283907 /nfs/dbraw/zinc/28/39/07/309283907.db2.gz HDBYNMDILYLPEP-HNNXBMFYSA-N 2 0 330.394 3.452 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC[C@@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367680 309284454 /nfs/dbraw/zinc/28/44/54/309284454.db2.gz HIQRHSUSFBJAGX-KSEOMHKRSA-N 3 0 341.543 3.363 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000420392462 309286170 /nfs/dbraw/zinc/28/61/70/309286170.db2.gz PPGYZJARPWMDGP-PZJWPPBQSA-N 2 0 346.515 3.291 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420397970 309286283 /nfs/dbraw/zinc/28/62/83/309286283.db2.gz XYYUFEIAMHLREN-PZJWPPBQSA-N 2 0 346.515 3.291 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000421821248 309341524 /nfs/dbraw/zinc/34/15/24/309341524.db2.gz QJLQBYHQVTZLAT-AWEZNQCLSA-N 2 0 341.902 3.026 20 0 EGADRP COC1([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000421830388 309342114 /nfs/dbraw/zinc/34/21/14/309342114.db2.gz BMIOYAPAHIWBEZ-KSZLIROESA-N 2 0 326.525 3.203 20 0 EGADRP C[NH+](C)C1CCC(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000422006241 309350535 /nfs/dbraw/zinc/35/05/35/309350535.db2.gz LIGXBOWKQLTTBY-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000422559125 309361574 /nfs/dbraw/zinc/36/15/74/309361574.db2.gz CBZGUSLAVOCVKM-UWVAXJGDSA-N 2 0 339.483 3.466 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C[NH3+] ZINC000422559437 309361615 /nfs/dbraw/zinc/36/16/15/309361615.db2.gz CWABVTWHRVBGLO-HLLBOEOZSA-N 2 0 326.444 3.074 20 0 EGADRP c1csc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422735785 309365801 /nfs/dbraw/zinc/36/58/01/309365801.db2.gz WPRBDRYBPQJOCA-MLHJIOFPSA-N 2 0 333.545 3.395 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422736396 309365875 /nfs/dbraw/zinc/36/58/75/309365875.db2.gz WBTHHOFKOXWCCQ-ZIAGYGMSSA-N 2 0 345.409 3.271 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737673 309366016 /nfs/dbraw/zinc/36/60/16/309366016.db2.gz XQXQCNOFWKKYBH-LMNJBCLMSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000422740503 309366121 /nfs/dbraw/zinc/36/61/21/309366121.db2.gz MWIWSECJONVTIS-HXHBTQRASA-N 2 0 337.511 3.370 20 0 EGADRP CCOc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422746023 309366330 /nfs/dbraw/zinc/36/63/30/309366330.db2.gz YVCBUILATWUPRQ-RXVVDRJESA-N 2 0 338.451 3.431 20 0 EGADRP CC[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)Cc1cccc(Br)c1 ZINC000422753430 309366635 /nfs/dbraw/zinc/36/66/35/309366635.db2.gz IGWUHNNZFLVVJL-OLZOCXBDSA-N 2 0 325.294 3.215 20 0 EGADRP Fc1ccccc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422753350 309366639 /nfs/dbraw/zinc/36/66/39/309366639.db2.gz CEAXCOMHCOGJGM-ICSRJNTNSA-N 2 0 326.415 3.214 20 0 EGADRP C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422765919 309367190 /nfs/dbraw/zinc/36/71/90/309367190.db2.gz PVGUMCCIJYNOQZ-NLWGTHIKSA-N 2 0 345.531 3.007 20 0 EGADRP COc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C ZINC000422764818 309367195 /nfs/dbraw/zinc/36/71/95/309367195.db2.gz QKYHMUDYWRHJBI-WIYYLYMNSA-N 2 0 338.451 3.349 20 0 EGADRP C[NH+](C)C1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422766702 309367339 /nfs/dbraw/zinc/36/73/39/309367339.db2.gz XPDAABNKLOXNDR-GHTZIAJQSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422773291 309367528 /nfs/dbraw/zinc/36/75/28/309367528.db2.gz ZRQVUSFNYYXGQD-CWFSZBLJSA-N 2 0 344.524 3.415 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000422781097 309367948 /nfs/dbraw/zinc/36/79/48/309367948.db2.gz KIUVNMWAKOYBGZ-IAGOWNOFSA-N 2 0 332.488 3.010 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000422785444 309368077 /nfs/dbraw/zinc/36/80/77/309368077.db2.gz JSXVSEFYHBZFHF-PMACEKPBSA-N 2 0 336.414 3.288 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422787472 309368220 /nfs/dbraw/zinc/36/82/20/309368220.db2.gz MEYBNACICIEMQA-ICSRJNTNSA-N 2 0 326.488 3.155 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422793028 309368463 /nfs/dbraw/zinc/36/84/63/309368463.db2.gz XMSSRAFDHSEWFE-RDTXWAMCSA-N 2 0 327.428 3.100 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000422790881 309368549 /nfs/dbraw/zinc/36/85/49/309368549.db2.gz UNLOUCQFEMYNLQ-INIZCTEOSA-N 2 0 326.488 3.021 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000422793589 309368609 /nfs/dbraw/zinc/36/86/09/309368609.db2.gz FVSJCWPKNBXKMK-OLZOCXBDSA-N 2 0 329.282 3.324 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422799011 309368999 /nfs/dbraw/zinc/36/89/99/309368999.db2.gz URFPTUQAAIDFNA-AZUAARDMSA-N 2 0 326.415 3.480 20 0 EGADRP CCC(CC)(CCO)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422807243 309369414 /nfs/dbraw/zinc/36/94/14/309369414.db2.gz JNONZKVYZGAMRG-PXNSSMCTSA-N 2 0 332.488 3.021 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(c3ccccc3)CCC2)CC[NH2+]CC1 ZINC000422805727 309369438 /nfs/dbraw/zinc/36/94/38/309369438.db2.gz HGLNXMOGXJDIBB-KRWDZBQOSA-N 2 0 344.499 3.019 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422809375 309369651 /nfs/dbraw/zinc/36/96/51/309369651.db2.gz MDWJGBIRTBLMTE-HKUYNNGSSA-N 2 0 346.515 3.337 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)c1 ZINC000422812671 309369722 /nfs/dbraw/zinc/36/97/22/309369722.db2.gz YEFFFBJRQBJRPV-NJDAHSKKSA-N 2 0 338.499 3.332 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422811865 309369728 /nfs/dbraw/zinc/36/97/28/309369728.db2.gz PTAWWMZQAZLCDY-FXAWDEMLSA-N 2 0 326.488 3.332 20 0 EGADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422817732 309370070 /nfs/dbraw/zinc/37/00/70/309370070.db2.gz IDRYVVGBONXMCM-DGADGQDISA-N 2 0 334.426 3.102 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422831218 309371006 /nfs/dbraw/zinc/37/10/06/309371006.db2.gz JJGSHWASBGAPJV-LNRXMEIDSA-N 2 0 343.559 3.450 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422839606 309371346 /nfs/dbraw/zinc/37/13/46/309371346.db2.gz QVLAXJUKECPMNB-FUHIMQAGSA-N 3 0 332.536 3.400 20 0 EGADRP [NH3+][C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000422848433 309371896 /nfs/dbraw/zinc/37/18/96/309371896.db2.gz TUORTNCSHACAMJ-YADHBBJMSA-N 2 0 335.495 3.428 20 0 EGADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422851712 309371967 /nfs/dbraw/zinc/37/19/67/309371967.db2.gz FSSWVHSQRFSOBQ-XUVXKRRUSA-N 2 0 346.515 3.421 20 0 EGADRP CC[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)Oc1cccc(F)c1 ZINC000422857504 309372416 /nfs/dbraw/zinc/37/24/16/309372416.db2.gz YIXCAPCVHWJJLP-CXAGYDPISA-N 2 0 331.435 3.496 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cc2)n1 ZINC000422869312 309372833 /nfs/dbraw/zinc/37/28/33/309372833.db2.gz XHPKQWYPJKAIRQ-YWZLYKJASA-N 2 0 326.488 3.009 20 0 EGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422875860 309373307 /nfs/dbraw/zinc/37/33/07/309373307.db2.gz PPOLFCDOODIUFW-OUJGAGHGSA-N 2 0 330.516 3.442 20 0 EGADRP Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)c(OC[C@H]2CCCO2)c1 ZINC000422876535 309373355 /nfs/dbraw/zinc/37/33/55/309373355.db2.gz QIEXQAMFPMDYGO-NKELODKYSA-N 2 0 332.488 3.160 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)Cc2ccc(C)cc2C)CC[NH2+]CC1 ZINC000422886495 309374295 /nfs/dbraw/zinc/37/42/95/309374295.db2.gz JFLRODWYMSKMGF-ZWKOTPCHSA-N 2 0 346.515 3.145 20 0 EGADRP CC[C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000422888497 309374367 /nfs/dbraw/zinc/37/43/67/309374367.db2.gz NBAUWFAPNMJHHV-OXQOHEQNSA-N 2 0 339.483 3.233 20 0 EGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422899757 309375073 /nfs/dbraw/zinc/37/50/73/309375073.db2.gz IFIZZLXQXOPMHO-KGLIPLIRSA-N 2 0 340.895 3.112 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cn2)c1 ZINC000422905139 309375362 /nfs/dbraw/zinc/37/53/62/309375362.db2.gz YQHAHLMDHMKSGD-UHFFFAOYSA-N 2 0 341.455 3.490 20 0 EGADRP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422930577 309376578 /nfs/dbraw/zinc/37/65/78/309376578.db2.gz VCRXAHNAFQXGPL-HSALFYBXSA-N 2 0 346.515 3.110 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422951144 309377609 /nfs/dbraw/zinc/37/76/09/309377609.db2.gz XQXIYHXCDQXSBX-HUUCEWRRSA-N 2 0 327.266 3.078 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1C ZINC000423000516 309380126 /nfs/dbraw/zinc/38/01/26/309380126.db2.gz VIDYZIHFMYZZIP-NJDAHSKKSA-N 2 0 330.516 3.475 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423003011 309380454 /nfs/dbraw/zinc/38/04/54/309380454.db2.gz KNKORODQQWWIMV-MMKMLUHNSA-N 2 0 329.532 3.407 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423009055 309380774 /nfs/dbraw/zinc/38/07/74/309380774.db2.gz BUYHGXSKZXTVEW-WDSOQIARSA-N 2 0 329.492 3.062 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423019430 309381420 /nfs/dbraw/zinc/38/14/20/309381420.db2.gz VOCWJHLUVBNEJA-ZOWXZIJZSA-N 2 0 329.282 3.242 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423025206 309381675 /nfs/dbraw/zinc/38/16/75/309381675.db2.gz NNNZENOLPLCXAO-XNJGSVPQSA-N 2 0 325.859 3.036 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423030808 309381993 /nfs/dbraw/zinc/38/19/93/309381993.db2.gz WIWCHEIEKRCLOE-NOSGZIGASA-N 2 0 327.875 3.187 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423030804 309382117 /nfs/dbraw/zinc/38/21/17/309382117.db2.gz WIWCHEIEKRCLOE-DIGLBZAJSA-N 2 0 327.875 3.187 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Cl)c(C)c2)CC[NH2+]CC1 ZINC000423039330 309382411 /nfs/dbraw/zinc/38/24/11/309382411.db2.gz QIOLOZNIGIMABX-AWEZNQCLSA-N 2 0 338.879 3.059 20 0 EGADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccc(F)cc21 ZINC000423044358 309382741 /nfs/dbraw/zinc/38/27/41/309382741.db2.gz AHZQPRZVNSRPMX-QRVBRYPASA-N 2 0 329.463 3.370 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO[C@H]1C1CC1 ZINC000423050367 309383278 /nfs/dbraw/zinc/38/32/78/309383278.db2.gz LRKZATNHKLAMGG-PMXSJFBMSA-N 2 0 342.483 3.037 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066257 309384196 /nfs/dbraw/zinc/38/41/96/309384196.db2.gz DGWHAEUZBGUDOS-MJVIPROJSA-N 2 0 344.286 3.204 20 0 EGADRP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423070237 309384260 /nfs/dbraw/zinc/38/42/60/309384260.db2.gz FUPKWAMOQVUBGL-NXNFSMPISA-N 2 0 328.500 3.460 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000423079090 309384888 /nfs/dbraw/zinc/38/48/88/309384888.db2.gz QADFUMQFOFVOPT-YHDSQAASSA-N 2 0 340.511 3.164 20 0 EGADRP COCC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000423116008 309386601 /nfs/dbraw/zinc/38/66/01/309386601.db2.gz OOZVYPOCYIYYRR-IMFGXOCKSA-N 2 0 332.488 3.283 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C)C3C[NH2+]C3)cc2)c1 ZINC000423113448 309386611 /nfs/dbraw/zinc/38/66/11/309386611.db2.gz YYZQPALGOUNGIL-AWEZNQCLSA-N 2 0 342.439 3.194 20 0 EGADRP CC[C@H](NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423125216 309387299 /nfs/dbraw/zinc/38/72/99/309387299.db2.gz NKXKOCBBCGJWCL-UFYCRDLUSA-N 2 0 333.520 3.197 20 0 EGADRP c1c2ccccc2sc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423133951 309387654 /nfs/dbraw/zinc/38/76/54/309387654.db2.gz LPMDNOUXQSSZEW-KZNAEPCWSA-N 2 0 330.497 3.191 20 0 EGADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423164431 309388926 /nfs/dbraw/zinc/38/89/26/309388926.db2.gz OPLZENMRQZMGLM-HNBVOPMISA-N 2 0 330.472 3.180 20 0 EGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423217768 309390858 /nfs/dbraw/zinc/39/08/58/309390858.db2.gz UTANMGWPZMVZHU-DOMZBBRYSA-N 2 0 339.277 3.252 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423250919 309392360 /nfs/dbraw/zinc/39/23/60/309392360.db2.gz RFQDCRDANRWMGS-GBAJDQEWSA-N 3 0 341.543 3.266 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C2 ZINC000423257577 309392706 /nfs/dbraw/zinc/39/27/06/309392706.db2.gz KEMJTCOGDPVHPB-DYVFJYSZSA-N 2 0 337.305 3.286 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423260487 309392772 /nfs/dbraw/zinc/39/27/72/309392772.db2.gz QEMLTAVMQZOTLK-ZBFHGGJFSA-N 2 0 330.451 3.360 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000423273498 309393650 /nfs/dbraw/zinc/39/36/50/309393650.db2.gz JBECAJLOEBUZIV-VLQPXKRTSA-N 2 0 330.472 3.275 20 0 EGADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000423300731 309394484 /nfs/dbraw/zinc/39/44/84/309394484.db2.gz FEWXVZOIVVNJPW-TWGBQZSLSA-N 2 0 340.511 3.426 20 0 EGADRP CC(C)(C(=O)NCCC[NH+]1CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423299285 309394526 /nfs/dbraw/zinc/39/45/26/309394526.db2.gz BOYXCUYBZOUZFW-SFHVURJKSA-N 2 0 331.504 3.095 20 0 EGADRP CC(C)(C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423316321 309394765 /nfs/dbraw/zinc/39/47/65/309394765.db2.gz ALHAQYOUBUDTGB-LJQANCHMSA-N 2 0 343.515 3.047 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000423314195 309394883 /nfs/dbraw/zinc/39/48/83/309394883.db2.gz VMCKEOQNRJSJMP-FQEVSTJZSA-N 2 0 343.515 3.196 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423340284 309395878 /nfs/dbraw/zinc/39/58/78/309395878.db2.gz VWAMFALDOXJXBX-MRXNPFEDSA-N 2 0 332.879 3.142 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423340282 309395968 /nfs/dbraw/zinc/39/59/68/309395968.db2.gz VWAMFALDOXJXBX-INIZCTEOSA-N 2 0 332.879 3.142 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423338891 309395992 /nfs/dbraw/zinc/39/59/92/309395992.db2.gz BADJHZCYYRCHAO-HNNXBMFYSA-N 2 0 325.456 3.088 20 0 EGADRP C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000423353856 309396532 /nfs/dbraw/zinc/39/65/32/309396532.db2.gz DYNYJRMWTDOVLK-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@H](C)C1 ZINC000423353334 309396537 /nfs/dbraw/zinc/39/65/37/309396537.db2.gz LSUNSBRZZDHBLA-TYCQWZJGSA-N 2 0 345.531 3.373 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423352843 309396590 /nfs/dbraw/zinc/39/65/90/309396590.db2.gz CCJPSHWFAUHWKG-AWEZNQCLSA-N 2 0 326.440 3.028 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H](C)[NH3+] ZINC000423352821 309396690 /nfs/dbraw/zinc/39/66/90/309396690.db2.gz BYLCVZWESSDUSN-YLJYHZDGSA-N 2 0 345.531 3.154 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000423355994 309396723 /nfs/dbraw/zinc/39/67/23/309396723.db2.gz GGWXSOXAPXZHDY-FTRWYGJKSA-N 2 0 337.467 3.272 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423356160 309396804 /nfs/dbraw/zinc/39/68/04/309396804.db2.gz JHRXGFYBFOQFEI-UYAOXDASSA-N 2 0 325.456 3.106 20 0 EGADRP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H](C)[NH3+] ZINC000423359351 309396932 /nfs/dbraw/zinc/39/69/32/309396932.db2.gz OXVVBJQYWIFDRH-XLIONFOSSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423359927 309397010 /nfs/dbraw/zinc/39/70/10/309397010.db2.gz LEEPSPHGEYAXRG-OWCLPIDISA-N 2 0 331.504 3.193 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H](C)[NH3+] ZINC000423365906 309397229 /nfs/dbraw/zinc/39/72/29/309397229.db2.gz WWSKKTJFZOCPML-XLIONFOSSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OCC[NH+](C)C)cc1 ZINC000423384350 309397994 /nfs/dbraw/zinc/39/79/94/309397994.db2.gz KZKOKOXBHDZNEX-INIZCTEOSA-N 3 0 339.483 3.081 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000423380928 309398050 /nfs/dbraw/zinc/39/80/50/309398050.db2.gz DYXOGISBXQRZMM-ZDUSSCGKSA-N 2 0 330.394 3.372 20 0 EGADRP COCC1(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC[NH2+]CC1 ZINC000423396853 309398644 /nfs/dbraw/zinc/39/86/44/309398644.db2.gz BMDFEEPHYLSTNA-GOSISDBHSA-N 2 0 336.907 3.267 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000423401228 309398802 /nfs/dbraw/zinc/39/88/02/309398802.db2.gz XASPHSGQJWVDEL-GVXVVHGQSA-N 2 0 327.266 3.249 20 0 EGADRP CCOc1cccc2cc([C@@H](C)[NH2+]CC3(COC)CC[NH2+]CC3)oc21 ZINC000423406998 309398991 /nfs/dbraw/zinc/39/89/91/309398991.db2.gz LMFLBNKTFPSYOZ-OAHLLOKOSA-N 2 0 346.471 3.498 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418659 309399534 /nfs/dbraw/zinc/39/95/34/309399534.db2.gz HXXOPYPQZSMJRS-FVQBIDKESA-N 2 0 333.476 3.069 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423424216 309399926 /nfs/dbraw/zinc/39/99/26/309399926.db2.gz FMLAEVUYGFVXPD-RNQOJCNYSA-N 2 0 348.918 3.408 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@@H]1c1cccs1 ZINC000423426516 309399934 /nfs/dbraw/zinc/39/99/34/309399934.db2.gz PMAAFPBEDJPDKZ-OIISXLGYSA-N 2 0 349.544 3.025 20 0 EGADRP COC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423444134 309400599 /nfs/dbraw/zinc/40/05/99/309400599.db2.gz QWKNNRWUSOXOSG-BBWFWOEESA-N 2 0 342.405 3.371 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000423459902 309401002 /nfs/dbraw/zinc/40/10/02/309401002.db2.gz AGCZWFMQHJVPAG-SAKMYQHLSA-N 2 0 330.472 3.275 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423537630 309405690 /nfs/dbraw/zinc/40/56/90/309405690.db2.gz DJYTVMPTEYGTCL-LKCYJCQHSA-N 2 0 344.503 3.255 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cccnc2)cc1 ZINC000423542222 309405822 /nfs/dbraw/zinc/40/58/22/309405822.db2.gz MEIJWZVWEOOQLE-VUBSUSDNSA-N 2 0 325.431 3.288 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cccnc2)c(F)c1 ZINC000423551201 309406087 /nfs/dbraw/zinc/40/60/87/309406087.db2.gz UDTFELXIECTECA-ISNZEAQHSA-N 2 0 343.421 3.427 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423783109 309412447 /nfs/dbraw/zinc/41/24/47/309412447.db2.gz ZXVCTYVUDAEUHW-ICSRJNTNSA-N 2 0 329.488 3.171 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC2(CC[NH2+]CC2)CC1)CC1CCCCC1 ZINC000424166721 309431715 /nfs/dbraw/zinc/43/17/15/309431715.db2.gz ZYVQIUHLRTXGBW-SFHVURJKSA-N 2 0 335.536 3.057 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000424435497 309443814 /nfs/dbraw/zinc/44/38/14/309443814.db2.gz IRIJNGRPHMNFHU-HZPDHXFCSA-N 2 0 346.519 3.332 20 0 EGADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)cc1 ZINC000429561242 309584689 /nfs/dbraw/zinc/58/46/89/309584689.db2.gz PZMOFHDWAARTNW-CQSZACIVSA-N 2 0 336.439 3.262 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH2+]CC)CC1)c1ccccc1 ZINC000430566169 309611037 /nfs/dbraw/zinc/61/10/37/309611037.db2.gz BSYIQHFQYIQRAP-PXNSSMCTSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccc2ccccc2c1 ZINC000430934465 309621408 /nfs/dbraw/zinc/62/14/08/309621408.db2.gz OYNODQRFALQWJI-JKSUJKDBSA-N 2 0 339.483 3.076 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC000431024660 309623713 /nfs/dbraw/zinc/62/37/13/309623713.db2.gz VZTGGVWTKBHHHE-KRWDZBQOSA-N 2 0 329.488 3.014 20 0 EGADRP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431042793 309624320 /nfs/dbraw/zinc/62/43/20/309624320.db2.gz LHEYNTDEZWXEFN-HXUWFJFHSA-N 2 0 349.478 3.442 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000433175402 309680722 /nfs/dbraw/zinc/68/07/22/309680722.db2.gz OAENAVNPBIKANY-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP CC1(C)CCc2ccccc2[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000436287025 309751857 /nfs/dbraw/zinc/75/18/57/309751857.db2.gz RXEYYPYUASEULH-FQEVSTJZSA-N 2 0 330.516 3.384 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000437778623 309799398 /nfs/dbraw/zinc/79/93/98/309799398.db2.gz VHYWQAGUPXOUCX-UHFFFAOYSA-N 2 0 338.377 3.251 20 0 EGADRP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443607380 309904418 /nfs/dbraw/zinc/90/44/18/309904418.db2.gz ZVPGAOAWXCEDEF-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447529240 309980941 /nfs/dbraw/zinc/98/09/41/309980941.db2.gz JQZUEOSTJACFSU-UIFIKXQLSA-N 2 0 329.532 3.487 20 0 EGADRP COC(=O)c1coc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000447546742 309981658 /nfs/dbraw/zinc/98/16/58/309981658.db2.gz YMDFJGQKAHTEMR-OAGGEKHMSA-N 2 0 336.476 3.475 20 0 EGADRP c1ccc(C[NH+]2CCN(CCC[NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000448070321 309997387 /nfs/dbraw/zinc/99/73/87/309997387.db2.gz QYCQQAGERXRQAQ-UHFFFAOYSA-N 2 0 327.516 3.117 20 0 EGADRP Cc1cccc(CC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000449014854 310029104 /nfs/dbraw/zinc/02/91/04/310029104.db2.gz ADOWSKJLVCLNFT-PMACEKPBSA-N 2 0 329.532 3.028 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc4ccoc43)CC2)CC1 ZINC000449036395 310031905 /nfs/dbraw/zinc/03/19/05/310031905.db2.gz JQSLAPCKIJEVLV-UHFFFAOYSA-N 2 0 341.499 3.423 20 0 EGADRP CC(C)COc1ccccc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000449078085 310035370 /nfs/dbraw/zinc/03/53/70/310035370.db2.gz UGZVMFFNWJIRIB-HXUWFJFHSA-N 2 0 347.547 3.083 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000449185070 310042992 /nfs/dbraw/zinc/04/29/92/310042992.db2.gz FTZGHSPMQUAZEK-YSGRDPCXSA-N 2 0 342.483 3.331 20 0 EGADRP C[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449515181 310068601 /nfs/dbraw/zinc/06/86/01/310068601.db2.gz ZPQBMAUJPJXAAT-JJCGOBCMSA-N 2 0 342.527 3.284 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc3ccccc32)CC1 ZINC000449754750 310084676 /nfs/dbraw/zinc/08/46/76/310084676.db2.gz ROCGYDOADKOAQJ-UHFFFAOYSA-N 2 0 325.500 3.346 20 0 EGADRP CCc1cc(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc[nH+]1 ZINC000450235232 310110090 /nfs/dbraw/zinc/11/00/90/310110090.db2.gz WUKVXMUUFNNIGY-UHFFFAOYSA-N 2 0 325.456 3.365 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456833 310123707 /nfs/dbraw/zinc/12/37/07/310123707.db2.gz UNOKZFGHWFMNMY-QGZVFWFLSA-N 2 0 332.463 3.452 20 0 EGADRP COc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000450603072 310132607 /nfs/dbraw/zinc/13/26/07/310132607.db2.gz SJDGHWPHYTYBFT-QGPMSJSTSA-N 2 0 338.879 3.032 20 0 EGADRP CCC[N@H+](CC/C=C\c1ccccc1)CCN1CC[NH+](CC)CC1 ZINC000451039417 310157208 /nfs/dbraw/zinc/15/72/08/310157208.db2.gz YGZWBDRCUNAPBE-WQLSENKSSA-N 2 0 329.532 3.439 20 0 EGADRP CO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451568536 310186993 /nfs/dbraw/zinc/18/69/93/310186993.db2.gz RULGBCUDBHJUTK-NNZMDNLPSA-N 2 0 340.552 3.116 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451697901 310192853 /nfs/dbraw/zinc/19/28/53/310192853.db2.gz IVADLDQVYMISFM-YVWKXTFCSA-N 2 0 325.456 3.164 20 0 EGADRP C[N@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776552 310196717 /nfs/dbraw/zinc/19/67/17/310196717.db2.gz AOPWWNYMRDHHOY-PMACEKPBSA-N 2 0 348.531 3.006 20 0 EGADRP CN(CC[NH2+]C1(Cc2ccccc2)CCOCC1)Cc1ccccc1 ZINC000451944266 310204529 /nfs/dbraw/zinc/20/45/29/310204529.db2.gz NRPXJHHKGTULFF-UHFFFAOYSA-N 2 0 338.495 3.500 20 0 EGADRP c1cnn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453062400 310255321 /nfs/dbraw/zinc/25/53/21/310255321.db2.gz DOYXNERHHNCYNY-PCCBWWKXSA-N 2 0 338.499 3.306 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453070161 310255844 /nfs/dbraw/zinc/25/58/44/310255844.db2.gz MSBYHFVWGWJFAC-PLACYPQZSA-N 2 0 327.516 3.113 20 0 EGADRP OCCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453106378 310258318 /nfs/dbraw/zinc/25/83/18/310258318.db2.gz YTLHQHNNIPOMLT-VAMGGRTRSA-N 2 0 348.556 3.135 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453107517 310258434 /nfs/dbraw/zinc/25/84/34/310258434.db2.gz LICKBTKQDCFJDT-BDTNDASRSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453184286 310262893 /nfs/dbraw/zinc/26/28/93/310262893.db2.gz UOFSWDDUMRKRCU-OYNPSCLESA-N 2 0 330.516 3.428 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000453335681 310271610 /nfs/dbraw/zinc/27/16/10/310271610.db2.gz IXRHTBKFTXHMPQ-PWRODBHTSA-N 2 0 342.527 3.429 20 0 EGADRP C[N@H+](CCCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CC1 ZINC000453397011 310274855 /nfs/dbraw/zinc/27/48/55/310274855.db2.gz JEDUNWMNXYZYQN-UHFFFAOYSA-N 2 0 347.522 3.297 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)nnn1-c1ccc(F)cc1 ZINC000453418499 310275953 /nfs/dbraw/zinc/27/59/53/310275953.db2.gz YFVQPWBTNSCEBF-AWEZNQCLSA-N 2 0 345.466 3.240 20 0 EGADRP C[N@H+](CCCC[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)C1CC1 ZINC000453592452 310283280 /nfs/dbraw/zinc/28/32/80/310283280.db2.gz FGOMGSDKOXQEFP-UHFFFAOYSA-N 2 0 334.414 3.319 20 0 EGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455843969 310379216 /nfs/dbraw/zinc/37/92/16/310379216.db2.gz GUVFTHYDCNJTMI-PKOBYXMFSA-N 2 0 344.503 3.184 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC(C)(C)C[NH+]3CCCC3)ccc21 ZINC000455873375 310380476 /nfs/dbraw/zinc/38/04/76/310380476.db2.gz ZNQPDKHCIPVTJG-SFHVURJKSA-N 2 0 344.503 3.231 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(F)cc(C)cc2Cl)CC1 ZINC000459415708 310551170 /nfs/dbraw/zinc/55/11/70/310551170.db2.gz WXYJIFLHPBFCNY-HNNXBMFYSA-N 2 0 341.902 3.151 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474045546 310784088 /nfs/dbraw/zinc/78/40/88/310784088.db2.gz KQRBVAIBPZTXLG-LJQANCHMSA-N 2 0 334.504 3.366 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000476897404 310835922 /nfs/dbraw/zinc/83/59/22/310835922.db2.gz VKPJFOXUICWTAO-IXDOHACOSA-N 2 0 325.541 3.170 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000483681087 310954401 /nfs/dbraw/zinc/95/44/01/310954401.db2.gz NBODMEBYMDKQJX-JXFKEZNVSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000487205970 311015830 /nfs/dbraw/zinc/01/58/30/311015830.db2.gz WFGCMXSJWWVMQX-FUHIMQAGSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000488449067 311066303 /nfs/dbraw/zinc/06/63/03/311066303.db2.gz OPJBFNHILOJTGM-ZIAGYGMSSA-N 2 0 341.421 3.203 20 0 EGADRP CN(c1ccccc1C[NH2+]CC1CC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000491580501 311185692 /nfs/dbraw/zinc/18/56/92/311185692.db2.gz CAPRYFWHTYXIJG-UHFFFAOYSA-N 2 0 337.458 3.352 20 0 EGADRP c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000491999285 311207166 /nfs/dbraw/zinc/20/71/66/311207166.db2.gz LLSPXXNXLFTIEM-LJQANCHMSA-N 2 0 337.467 3.281 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492213508 311227010 /nfs/dbraw/zinc/22/70/10/311227010.db2.gz BMPWYXPTJSXTEO-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CC[C@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000494647721 311498526 /nfs/dbraw/zinc/49/85/26/311498526.db2.gz IYLRBHCQXQMJEG-IEBWSBKVSA-N 2 0 343.515 3.298 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000496082954 311658991 /nfs/dbraw/zinc/65/89/91/311658991.db2.gz MVKILRUTLWLQEI-IBGZPJMESA-N 2 0 341.540 3.344 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000501114217 311938967 /nfs/dbraw/zinc/93/89/67/311938967.db2.gz CYILSSSHWRFGMR-UHFFFAOYSA-N 2 0 332.488 3.416 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000504575687 312008166 /nfs/dbraw/zinc/00/81/66/312008166.db2.gz QJEDFCYXBQVIAK-IRXDYDNUSA-N 2 0 336.907 3.488 20 0 EGADRP CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506471591 312049681 /nfs/dbraw/zinc/04/96/81/312049681.db2.gz DNLBNVWEGLOVRO-SQNIBIBYSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512636684 312190884 /nfs/dbraw/zinc/19/08/84/312190884.db2.gz NFLHYYCYTNVKQC-SLFFLAALSA-N 2 0 330.516 3.428 20 0 EGADRP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512656348 312191628 /nfs/dbraw/zinc/19/16/28/312191628.db2.gz ZGJYQGNZJOMBIE-UWHLTILDSA-N 2 0 330.516 3.428 20 0 EGADRP CCCC[NH+]1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000513045636 312200156 /nfs/dbraw/zinc/20/01/56/312200156.db2.gz FQMWLXBPQYGIES-UHFFFAOYSA-N 2 0 335.458 3.257 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000515056080 312262985 /nfs/dbraw/zinc/26/29/85/312262985.db2.gz KTTUIPCJHICUAT-HOTGVXAUSA-N 2 0 337.533 3.025 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c1ccsc1 ZINC000516056735 312306637 /nfs/dbraw/zinc/30/66/37/312306637.db2.gz ZHZBHJQDYCFJKV-HZPDHXFCSA-N 2 0 339.549 3.271 20 0 EGADRP CCOCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000517127811 312365049 /nfs/dbraw/zinc/36/50/49/312365049.db2.gz PGAYHCRYDHQGIO-OPYAIIAOSA-N 2 0 348.531 3.042 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000517358489 312375967 /nfs/dbraw/zinc/37/59/67/312375967.db2.gz FKXATWAFDKDOLV-NRFANRHFSA-N 2 0 326.484 3.222 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1OC(F)F ZINC000517378572 312377049 /nfs/dbraw/zinc/37/70/49/312377049.db2.gz IXAJHEWLBLTBHU-UHFFFAOYSA-N 2 0 328.403 3.248 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000526112785 312794409 /nfs/dbraw/zinc/79/44/09/312794409.db2.gz KWBJAUXOXBBTFA-KBPBESRZSA-N 2 0 342.409 3.366 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527851127 312957641 /nfs/dbraw/zinc/95/76/41/312957641.db2.gz QBHKJINFZVUPIZ-KRWDZBQOSA-N 2 0 339.886 3.082 20 0 EGADRP c1cc(OCC2CC2)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247889 313505419 /nfs/dbraw/zinc/50/54/19/313505419.db2.gz CLNXYRCLSCQPTJ-NRFANRHFSA-N 2 0 344.499 3.066 20 0 EGADRP COc1cc2c(cc1CN(C)CC[C@@H]1CCCC[N@@H+]1C)O[C@H](C)C2 ZINC000536678533 314138204 /nfs/dbraw/zinc/13/82/04/314138204.db2.gz CALXDVHZJXOMJC-QAPCUYQASA-N 2 0 332.488 3.325 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2c(C)cccc2C)[C@@H](C)C1 ZINC000536876399 314151442 /nfs/dbraw/zinc/15/14/42/314151442.db2.gz KXYVSPIHPKCPDN-PMACEKPBSA-N 2 0 348.531 3.409 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)[C@@H](C)C1 ZINC000537478710 314183949 /nfs/dbraw/zinc/18/39/49/314183949.db2.gz ZWHYTSKPDCFCRR-YRPNKDGESA-N 2 0 340.552 3.307 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3c2cccc3Cl)ccn1 ZINC000537942415 314218997 /nfs/dbraw/zinc/21/89/97/314218997.db2.gz BMRQGZYPALIGOF-SFHVURJKSA-N 2 0 345.874 3.453 20 0 EGADRP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000537992212 314222135 /nfs/dbraw/zinc/22/21/35/314222135.db2.gz ZPPRDXPHCNKQRM-OSZJIOELSA-N 2 0 343.559 3.388 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000538691550 314265607 /nfs/dbraw/zinc/26/56/07/314265607.db2.gz FUZUBMMOAUVRPS-NRFANRHFSA-N 2 0 329.532 3.239 20 0 EGADRP CO[C@H](C)[C@H](C)[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000539295222 314304725 /nfs/dbraw/zinc/30/47/25/314304725.db2.gz LWZDVWZKLLHOLB-ZSYWTGECSA-N 2 0 348.531 3.209 20 0 EGADRP C[C@@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000541667653 314478053 /nfs/dbraw/zinc/47/80/53/314478053.db2.gz VGXGALJQWRDUAA-IBGZPJMESA-N 2 0 329.532 3.140 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000548860827 315056130 /nfs/dbraw/zinc/05/61/30/315056130.db2.gz WOGDEBOUGYUFFG-WOJBJXKFSA-N 2 0 328.500 3.100 20 0 EGADRP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552247138 315208697 /nfs/dbraw/zinc/20/86/97/315208697.db2.gz CPDWZCCXRUYCSZ-UWHLTILDSA-N 2 0 330.516 3.428 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000552252703 315209427 /nfs/dbraw/zinc/20/94/27/315209427.db2.gz UIJUWLPHPHGIAV-CTWPCTMYSA-N 2 0 342.483 3.042 20 0 EGADRP O[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000554390634 315314984 /nfs/dbraw/zinc/31/49/84/315314984.db2.gz MHIPBWDXQYJJNM-SRHPJPHMSA-N 2 0 328.500 3.180 20 0 EGADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000556877979 315478890 /nfs/dbraw/zinc/47/88/90/315478890.db2.gz YIKHUCPICZSMSH-UYAOXDASSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563349817 316003482 /nfs/dbraw/zinc/00/34/82/316003482.db2.gz KCLCCODZHMCRSA-JSGCOSHPSA-N 2 0 338.377 3.203 20 0 EGADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000565769255 316367360 /nfs/dbraw/zinc/36/73/60/316367360.db2.gz UQMLACZHHHJPET-HSALFYBXSA-N 2 0 329.488 3.088 20 0 EGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000565813084 316372633 /nfs/dbraw/zinc/37/26/33/316372633.db2.gz SKCYSVVNCYRERS-UFYCRDLUSA-N 2 0 344.499 3.040 20 0 EGADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000567641630 316648545 /nfs/dbraw/zinc/64/85/45/316648545.db2.gz YWINGBRRBBCQND-VIZZQPHQSA-N 2 0 341.455 3.068 20 0 EGADRP Cn1cc([C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2cccc(F)c2)cn1 ZINC000567653781 316649525 /nfs/dbraw/zinc/64/95/25/316649525.db2.gz WFBCJRFQAYEYFJ-DOXZYTNZSA-N 2 0 330.451 3.003 20 0 EGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567674959 316652591 /nfs/dbraw/zinc/65/25/91/316652591.db2.gz SUXNLJIAXIFZOB-GOSISDBHSA-N 2 0 345.512 3.119 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000568518705 316786481 /nfs/dbraw/zinc/78/64/81/316786481.db2.gz MSNNYCOIAKHWCS-UHFFFAOYSA-N 2 0 334.357 3.328 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000570642518 317086485 /nfs/dbraw/zinc/08/64/85/317086485.db2.gz VMLMYQFQSDTQBG-KMFMINBZSA-N 2 0 344.421 3.244 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCC2 ZINC000570785419 317107300 /nfs/dbraw/zinc/10/73/00/317107300.db2.gz VBCXPWKBURXWJH-OAHLLOKOSA-N 2 0 348.487 3.464 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000571073285 317147702 /nfs/dbraw/zinc/14/77/02/317147702.db2.gz PASBOMSORWIEGA-BFUOFWGJSA-N 2 0 346.906 3.456 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)Nc1cc(CC)nc(-c2ccncc2)n1 ZINC000571132403 317153967 /nfs/dbraw/zinc/15/39/67/317153967.db2.gz FRVSHSDTQKQWSS-OAHLLOKOSA-N 2 0 327.476 3.055 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1(CC)CC ZINC000181660299 323494685 /nfs/dbraw/zinc/49/46/85/323494685.db2.gz FXHQOJWKRHYRKE-QZTJIDSGSA-N 2 0 326.525 3.061 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379680651 324242252 /nfs/dbraw/zinc/24/22/52/324242252.db2.gz NJLUXDYFLMEBQJ-SJLPKXTDSA-N 2 0 333.520 3.037 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000382325935 324249971 /nfs/dbraw/zinc/24/99/71/324249971.db2.gz LVXXBZFXYXADKZ-SJORKVTESA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000382749198 324252555 /nfs/dbraw/zinc/25/25/55/324252555.db2.gz YOFLFDQSTYTUQL-HOJAQTOUSA-N 2 0 343.515 3.017 20 0 EGADRP O[C@H](CC1CCCC1)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385898993 324264543 /nfs/dbraw/zinc/26/45/43/324264543.db2.gz FSDCTNPMLNAVAV-BHDDXSALSA-N 2 0 342.527 3.382 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398010113 324294474 /nfs/dbraw/zinc/29/44/74/324294474.db2.gz RZPODAWBUMBJMZ-NZSAHSFTSA-N 2 0 345.531 3.037 20 0 EGADRP Cc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000417948344 324302555 /nfs/dbraw/zinc/30/25/55/324302555.db2.gz HOTVJNUYWCCDRD-PKOBYXMFSA-N 2 0 326.488 3.119 20 0 EGADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)Cc1cccc(Cl)c1 ZINC000575917012 324507310 /nfs/dbraw/zinc/50/73/10/324507310.db2.gz FRAQEFXONFHWFD-IBGZPJMESA-N 2 0 338.923 3.489 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000577484209 324815014 /nfs/dbraw/zinc/81/50/14/324815014.db2.gz IDCPJLNHIGYNDW-UHFFFAOYSA-N 2 0 335.467 3.256 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000578763868 325015858 /nfs/dbraw/zinc/01/58/58/325015858.db2.gz PEVVDAGLESNBHO-HKUYNNGSSA-N 2 0 331.504 3.095 20 0 EGADRP O=C(CC[NH2+]CC1CC[NH+](C2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000580183852 325214179 /nfs/dbraw/zinc/21/41/79/325214179.db2.gz YMEISMVFZVJROJ-UHFFFAOYSA-N 2 0 335.879 3.133 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000580202164 325217799 /nfs/dbraw/zinc/21/77/99/325217799.db2.gz VNROJQAJDKXEEW-LLVKDONJSA-N 2 0 344.286 3.381 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000580659440 325280434 /nfs/dbraw/zinc/28/04/34/325280434.db2.gz SNEKSFVDQFVBTD-VQIMIIECSA-N 2 0 329.488 3.395 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000581247980 325345880 /nfs/dbraw/zinc/34/58/80/325345880.db2.gz HVEQAWWUPGWWGE-NVXWUHKLSA-N 2 0 333.520 3.256 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1C ZINC000581440384 325362068 /nfs/dbraw/zinc/36/20/68/325362068.db2.gz FSTWFOFHMQQWDU-MRXNPFEDSA-N 2 0 326.488 3.250 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000174344250 533716353 /nfs/dbraw/zinc/71/63/53/533716353.db2.gz ISDMWODFKGHLJF-PKOBYXMFSA-N 2 0 346.515 3.454 20 0 EGADRP OCCCCCC[NH2+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000183156893 455241144 /nfs/dbraw/zinc/24/11/44/455241144.db2.gz YIPJPIDFGNKIBG-NJYVYQBISA-N 2 0 330.516 3.429 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000157913046 455247798 /nfs/dbraw/zinc/24/77/98/455247798.db2.gz MSBRHDLVXFTVLV-HNNXBMFYSA-N 2 0 335.458 3.115 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000180812775 455250256 /nfs/dbraw/zinc/25/02/56/455250256.db2.gz HOVZTSJTOUDSLG-NVXWUHKLSA-N 2 0 339.524 3.094 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000180850454 455255109 /nfs/dbraw/zinc/25/51/09/455255109.db2.gz PTAFHQMLWFBTHN-UHFFFAOYSA-N 2 0 325.522 3.022 20 0 EGADRP COc1cccc(-c2nc(CN3CCC[C@H](C)[C@H]3CC[NH3+])co2)c1 ZINC000631829246 460575082 /nfs/dbraw/zinc/57/50/82/460575082.db2.gz LNQUZDVUXVQMKL-KBXCAEBGSA-N 2 0 329.444 3.300 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000158959438 455341128 /nfs/dbraw/zinc/34/11/28/455341128.db2.gz FUDRINUGCCLDDX-KRWDZBQOSA-N 2 0 343.515 3.262 20 0 EGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000066531355 453850770 /nfs/dbraw/zinc/85/07/70/453850770.db2.gz KUSISZKUZLSZIO-QZTJIDSGSA-N 2 0 343.515 3.162 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000066960817 453890023 /nfs/dbraw/zinc/89/00/23/453890023.db2.gz YXLYSRIEDKHGHF-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1nn(C)cc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812134 455382135 /nfs/dbraw/zinc/38/21/35/455382135.db2.gz ZPGDTTCSVUFRKZ-OXJNMPFZSA-N 2 0 326.488 3.213 20 0 EGADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523718 454064366 /nfs/dbraw/zinc/06/43/66/454064366.db2.gz ZWVAXJOJFXKUFV-INIZCTEOSA-N 2 0 349.494 3.009 20 0 EGADRP C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000088699589 454117215 /nfs/dbraw/zinc/11/72/15/454117215.db2.gz WIVFCZVNKBJPKA-LAUBAEHRSA-N 2 0 346.515 3.454 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccncc2)cc1OC ZINC000069750065 454141318 /nfs/dbraw/zinc/14/13/18/454141318.db2.gz BYEOZEFYZSMKAK-UHFFFAOYSA-N 2 0 343.471 3.101 20 0 EGADRP CN(CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000089427474 454148092 /nfs/dbraw/zinc/14/80/92/454148092.db2.gz IYZBYOARULVHHZ-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP FC(F)(F)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089552071 454161669 /nfs/dbraw/zinc/16/16/69/454161669.db2.gz ZQZINUYHKGCGTQ-ZIAGYGMSSA-N 2 0 328.378 3.301 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000089555888 454161896 /nfs/dbraw/zinc/16/18/96/454161896.db2.gz HUCJLJIOSFUTQB-CZUORRHYSA-N 2 0 348.878 3.252 20 0 EGADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058470783 454207443 /nfs/dbraw/zinc/20/74/43/454207443.db2.gz YMKDKYFSNWSKRZ-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP c1cc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)no1 ZINC000634961130 460630317 /nfs/dbraw/zinc/63/03/17/460630317.db2.gz LTOABDPFEOONNH-UHFFFAOYSA-N 2 0 327.472 3.499 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000131552225 454263595 /nfs/dbraw/zinc/26/35/95/454263595.db2.gz XOQKHJAJEDTLED-QGZVFWFLSA-N 2 0 341.430 3.135 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000120191037 454269557 /nfs/dbraw/zinc/26/95/57/454269557.db2.gz DQLLUCHYOZPVQT-KKSFZXQISA-N 2 0 342.458 3.286 20 0 EGADRP Brc1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000131869238 454292630 /nfs/dbraw/zinc/29/26/30/454292630.db2.gz IBZXQCNFRYHZBH-MRXNPFEDSA-N 2 0 333.229 3.497 20 0 EGADRP Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000090520084 454315224 /nfs/dbraw/zinc/31/52/24/454315224.db2.gz XZMVPZCJTYZXNW-UTKZUKDTSA-N 2 0 342.483 3.320 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)CC1 ZINC000061069996 454327739 /nfs/dbraw/zinc/32/77/39/454327739.db2.gz PEPJLFJCOOGYFV-UHFFFAOYSA-N 2 0 347.890 3.360 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132316507 454329718 /nfs/dbraw/zinc/32/97/18/454329718.db2.gz VUWXSNWVLFXKCG-LEWJYISDSA-N 2 0 329.532 3.316 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](O)Cc1ccccc1 ZINC000090655760 454331882 /nfs/dbraw/zinc/33/18/82/454331882.db2.gz VKEFSOGDFAFJJF-DYESRHJHSA-N 2 0 330.516 3.365 20 0 EGADRP C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072826288 454346463 /nfs/dbraw/zinc/34/64/63/454346463.db2.gz FPHYRYNOWWAINR-UHFFFAOYSA-N 2 0 326.444 3.143 20 0 EGADRP CCN1CCN(C(=O)CC2CC[NH+](CCCC3CCCC3)CC2)CC1 ZINC000120778942 454346528 /nfs/dbraw/zinc/34/65/28/454346528.db2.gz VGOZVCXTLZYCCB-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000062426900 454376646 /nfs/dbraw/zinc/37/66/46/454376646.db2.gz ACHRZTNHMKKMFS-OAHLLOKOSA-N 2 0 330.394 3.448 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCCC2)CN1CC[NH+](C)CC1 ZINC000121036478 454381612 /nfs/dbraw/zinc/38/16/12/454381612.db2.gz IIXICHWTDAXSTQ-QZTJIDSGSA-N 2 0 329.532 3.100 20 0 EGADRP C[C@H](NCC[N@H+](C)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000133228309 454403710 /nfs/dbraw/zinc/40/37/10/454403710.db2.gz YAURBSKPPDLVHB-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121291672 454417401 /nfs/dbraw/zinc/41/74/01/454417401.db2.gz RNTQPDQFBNISCT-ZCNNSNEGSA-N 2 0 344.499 3.064 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000121306792 454419532 /nfs/dbraw/zinc/41/95/32/454419532.db2.gz IJEIGAPKQXMBTA-RTBURBONSA-N 2 0 347.547 3.398 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000101652938 454479063 /nfs/dbraw/zinc/47/90/63/454479063.db2.gz LTPNDMLAGPPHEP-BBWFWOEESA-N 2 0 331.504 3.016 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122350457 454526106 /nfs/dbraw/zinc/52/61/06/454526106.db2.gz KKJMRQZIUZATRW-ZACQAIPSSA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)c1ccc(CC[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000122496292 454539276 /nfs/dbraw/zinc/53/92/76/454539276.db2.gz IRHYIPFFHIEMKD-UHFFFAOYSA-N 2 0 331.548 3.216 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000122871260 454577289 /nfs/dbraw/zinc/57/72/89/454577289.db2.gz RMNISVUYQFEWCQ-HKBOAZHASA-N 2 0 343.559 3.430 20 0 EGADRP CCc1ncc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587010 454590942 /nfs/dbraw/zinc/59/09/42/454590942.db2.gz ZLNCVMUQVKCMNC-GJZGRUSLSA-N 2 0 337.533 3.027 20 0 EGADRP Cc1cncc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000123010353 454592456 /nfs/dbraw/zinc/59/24/56/454592456.db2.gz COKFQEDTASDXMR-UHFFFAOYSA-N 2 0 338.499 3.210 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000092665338 454605592 /nfs/dbraw/zinc/60/55/92/454605592.db2.gz MMEFBOUSLZOUSX-YUVXSKOASA-N 2 0 341.543 3.281 20 0 EGADRP COc1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939670 454614490 /nfs/dbraw/zinc/61/44/90/454614490.db2.gz BIGIPANUCLNFQE-UZLBHIALSA-N 2 0 330.472 3.023 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123403369 454633271 /nfs/dbraw/zinc/63/32/71/454633271.db2.gz SHPRLOTZKBSUKD-VQTJNVASSA-N 2 0 329.532 3.184 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CC)c2ccccc2)CC1 ZINC000052209613 454661267 /nfs/dbraw/zinc/66/12/67/454661267.db2.gz NOFPHQYGCHOORV-UHFFFAOYSA-N 2 0 345.531 3.483 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000606313021 460648086 /nfs/dbraw/zinc/64/80/86/460648086.db2.gz CWJKKAGVRZJOGB-QGZVFWFLSA-N 2 0 347.503 3.212 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161664554 454712105 /nfs/dbraw/zinc/71/21/05/454712105.db2.gz ZSUHPQQPTABSFE-RHSMWYFYSA-N 2 0 341.902 3.403 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000124303082 454715953 /nfs/dbraw/zinc/71/59/53/454715953.db2.gz PDWCCQDIKYQSAK-IBGZPJMESA-N 2 0 331.504 3.017 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1F ZINC000136076985 454718430 /nfs/dbraw/zinc/71/84/30/454718430.db2.gz IHJBENVYLAHSSJ-UHFFFAOYSA-N 2 0 326.415 3.453 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1F ZINC000124460747 454736419 /nfs/dbraw/zinc/73/64/19/454736419.db2.gz JFULBTONJIFPEF-LJQANCHMSA-N 2 0 339.474 3.279 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2ccccc21 ZINC000124487894 454739577 /nfs/dbraw/zinc/73/95/77/454739577.db2.gz XXPVMCGWWGOBJW-UTKZUKDTSA-N 2 0 329.532 3.488 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162189352 454757334 /nfs/dbraw/zinc/75/73/34/454757334.db2.gz HFEKYEPDIMSIFD-ABAIWWIYSA-N 2 0 329.257 3.061 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(OCC[NH+](C)C)cc1 ZINC000124834304 454774451 /nfs/dbraw/zinc/77/44/51/454774451.db2.gz BHRBTZORXSKNAB-HUYLIWGRSA-N 2 0 332.488 3.235 20 0 EGADRP c1cc2c(cc1[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CC1)OCCO2 ZINC000162452929 454776356 /nfs/dbraw/zinc/77/63/56/454776356.db2.gz IRDIRNKOBQYHKN-FQEVSTJZSA-N 2 0 330.472 3.375 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000137736520 454784668 /nfs/dbraw/zinc/78/46/68/454784668.db2.gz OLPXHCIOGAWOHR-KRWDZBQOSA-N 2 0 347.503 3.078 20 0 EGADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000162769047 454799238 /nfs/dbraw/zinc/79/92/38/454799238.db2.gz PABPFJVDEMKVHR-SFHVURJKSA-N 2 0 349.482 3.440 20 0 EGADRP COc1ccc(Br)cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125270641 454809809 /nfs/dbraw/zinc/80/98/09/454809809.db2.gz BTHNFCYBDXLXQW-GLQYFDAESA-N 2 0 339.277 3.017 20 0 EGADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000153599648 454810869 /nfs/dbraw/zinc/81/08/69/454810869.db2.gz RVPLUHPVOJCVOV-FXAWDEMLSA-N 2 0 329.532 3.407 20 0 EGADRP CC[N@@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031355 454818462 /nfs/dbraw/zinc/81/84/62/454818462.db2.gz GKOABNYTRJIBHR-MSOLQXFVSA-N 2 0 339.593 3.058 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000163457209 454848877 /nfs/dbraw/zinc/84/88/77/454848877.db2.gz MSHSSNRPVDTJBF-INIZCTEOSA-N 2 0 329.488 3.389 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011893 460656051 /nfs/dbraw/zinc/65/60/51/460656051.db2.gz QANLOPCJUWUADY-XJKSGUPXSA-N 2 0 333.476 3.082 20 0 EGADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163785826 454864572 /nfs/dbraw/zinc/86/45/72/454864572.db2.gz FOWJITZMLSIALP-QGZVFWFLSA-N 2 0 342.487 3.175 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177677217 454891015 /nfs/dbraw/zinc/89/10/15/454891015.db2.gz DYYQFXYFQLONBR-LJQANCHMSA-N 2 0 343.515 3.019 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000166052791 454907264 /nfs/dbraw/zinc/90/72/64/454907264.db2.gz VDIDPKVBDUXTTM-CJNGLKHVSA-N 2 0 343.309 3.457 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000166107880 454907395 /nfs/dbraw/zinc/90/73/95/454907395.db2.gz YILZJXAACFIHAB-NHCUHLMSSA-N 2 0 329.532 3.234 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000151108620 454938871 /nfs/dbraw/zinc/93/88/71/454938871.db2.gz LYHHFDDUNZLEMJ-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000170607433 454940102 /nfs/dbraw/zinc/94/01/02/454940102.db2.gz CUIMTDNHKZWYQL-UHFFFAOYSA-N 2 0 347.522 3.454 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000155059663 454958910 /nfs/dbraw/zinc/95/89/10/454958910.db2.gz UWBFLFJBNNMUOQ-VXGBXAGGSA-N 2 0 348.293 3.419 20 0 EGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127407896 454962553 /nfs/dbraw/zinc/96/25/53/454962553.db2.gz LZYOPJDJHCJJNX-DENIHFKCSA-N 2 0 337.511 3.196 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000127665299 454986321 /nfs/dbraw/zinc/98/63/21/454986321.db2.gz WDJDABOHTYAILI-NEPJUHHUSA-N 2 0 348.293 3.419 20 0 EGADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000128018994 455018940 /nfs/dbraw/zinc/01/89/40/455018940.db2.gz WSCGZMRVLHMQJT-RVKKMQEKSA-N 2 0 332.492 3.035 20 0 EGADRP CCSc1ccccc1[C@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128033930 455020173 /nfs/dbraw/zinc/02/01/73/455020173.db2.gz IDXIGJFKEQPUOB-HOTGVXAUSA-N 2 0 349.544 3.037 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000155596740 455021523 /nfs/dbraw/zinc/02/15/23/455021523.db2.gz NGQBWFQTADCBSY-HUUCEWRRSA-N 2 0 338.565 3.252 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000155624711 455023656 /nfs/dbraw/zinc/02/36/56/455023656.db2.gz MEFCNSJDOXJIRM-IJEWVQPXSA-N 2 0 339.574 3.289 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000155659594 455027824 /nfs/dbraw/zinc/02/78/24/455027824.db2.gz DYYRKEYJZNDELO-PXNSSMCTSA-N 2 0 335.511 3.008 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Cl)c1Cl ZINC000151799034 455031718 /nfs/dbraw/zinc/03/17/18/455031718.db2.gz QRLIYZIYYUBMDY-LBPRGKRZSA-N 2 0 331.287 3.348 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013929 460657973 /nfs/dbraw/zinc/65/79/73/460657973.db2.gz JYZHUDIBBIRXLB-JCHJZTRSSA-N 2 0 336.907 3.316 20 0 EGADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)ccc1F ZINC000128306385 455044284 /nfs/dbraw/zinc/04/42/84/455044284.db2.gz QIRDFRLUQDQDRH-SFHVURJKSA-N 2 0 325.447 3.033 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000171239196 455049060 /nfs/dbraw/zinc/04/90/60/455049060.db2.gz YFKJROMGZYVRIE-UHFFFAOYSA-N 2 0 340.556 3.061 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000116308471 455051691 /nfs/dbraw/zinc/05/16/91/455051691.db2.gz OKKZVQIHDSJMQF-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C(C)C ZINC000155840018 455052462 /nfs/dbraw/zinc/05/24/62/455052462.db2.gz ZRDFPYZBBPCXBP-CTNGQTDRSA-N 2 0 346.563 3.391 20 0 EGADRP Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155930217 455062842 /nfs/dbraw/zinc/06/28/42/455062842.db2.gz QMOXBICGSFKQKY-AWEZNQCLSA-N 2 0 331.460 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000623656088 460663191 /nfs/dbraw/zinc/66/31/91/460663191.db2.gz MPWSUBLTXOGSDD-UYAOXDASSA-N 2 0 332.488 3.066 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000180058182 455124536 /nfs/dbraw/zinc/12/45/36/455124536.db2.gz UNFOJPKTCRLALN-FQEVSTJZSA-N 2 0 336.483 3.074 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000156504761 455126212 /nfs/dbraw/zinc/12/62/12/455126212.db2.gz GEEORODREJNUKF-IBGZPJMESA-N 2 0 338.499 3.335 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000119193020 455131730 /nfs/dbraw/zinc/13/17/30/455131730.db2.gz KZHNXLABBJEGKI-BJLQDIEVSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H]1CCCN(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000156706687 455145764 /nfs/dbraw/zinc/14/57/64/455145764.db2.gz BJPJAVHKNVUEHJ-ZGGTZUKQSA-N 2 0 341.499 3.141 20 0 EGADRP c1cn(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000182863741 455179664 /nfs/dbraw/zinc/17/96/64/455179664.db2.gz QNJJPASSZBUQEM-SFTDATJTSA-N 2 0 338.499 3.260 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]CCCC[N@H+]3CCCC[C@@H]3C)cc12 ZINC000237503090 455189960 /nfs/dbraw/zinc/18/99/60/455189960.db2.gz CSSHKFJHGNQWSM-HNNXBMFYSA-N 2 0 329.492 3.021 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000237615143 455198687 /nfs/dbraw/zinc/19/86/87/455198687.db2.gz APVQOQAUSPOLEQ-LSTHTHJFSA-N 2 0 339.483 3.050 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CCCCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000237776710 455217213 /nfs/dbraw/zinc/21/72/13/455217213.db2.gz NQFZPHPYULHZRL-LJQANCHMSA-N 2 0 331.504 3.157 20 0 EGADRP C[N@H+](Cc1cccc2[nH]ccc21)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310916 455296361 /nfs/dbraw/zinc/29/63/61/455296361.db2.gz RJZUEWVRBZGYPY-JOCHJYFZSA-N 2 0 349.478 3.237 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442276 455301428 /nfs/dbraw/zinc/30/14/28/455301428.db2.gz WEXASNAYWQOLFT-HUUCEWRRSA-N 2 0 337.895 3.331 20 0 EGADRP COc1cc2c(c(CN3CCC[C@@H]([NH+]4CCCC4)CC3)c1)O[C@H](C)C2 ZINC000245754805 455373735 /nfs/dbraw/zinc/37/37/35/455373735.db2.gz OKRUCCGCSSLNGV-VQIMIIECSA-N 2 0 344.499 3.469 20 0 EGADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000181948076 455403355 /nfs/dbraw/zinc/40/33/55/455403355.db2.gz CAZFZDLQJAGQRU-ZWKOTPCHSA-N 2 0 338.536 3.205 20 0 EGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000175004929 455419672 /nfs/dbraw/zinc/41/96/72/455419672.db2.gz MQFAJNPKFDOYAT-KRWDZBQOSA-N 2 0 347.547 3.164 20 0 EGADRP CCOC(=O)[C@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000191633480 455505356 /nfs/dbraw/zinc/50/53/56/455505356.db2.gz NQSOTIGKKXPKHX-OAQYLSRUSA-N 2 0 346.515 3.360 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000246941235 455537516 /nfs/dbraw/zinc/53/75/16/455537516.db2.gz HRMJPOQQLSFYDC-SJORKVTESA-N 2 0 345.487 3.414 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](Cc2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000247019675 455544724 /nfs/dbraw/zinc/54/47/24/455544724.db2.gz MUCRCGFLBBIZLU-DBXWQHBBSA-N 2 0 330.516 3.487 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247087588 455557592 /nfs/dbraw/zinc/55/75/92/455557592.db2.gz NUPVROCZRUBSGF-QXAKKESOSA-N 3 0 333.520 3.150 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000182751319 455581508 /nfs/dbraw/zinc/58/15/08/455581508.db2.gz KPXIQPWSDKCGCG-QGZVFWFLSA-N 2 0 325.541 3.076 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000268073713 455589198 /nfs/dbraw/zinc/58/91/98/455589198.db2.gz DIYRQWYQJVGMMW-AWEZNQCLSA-N 2 0 325.522 3.050 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)NCc2cnc3ccc(C)cn23)cc1 ZINC000283910122 455610569 /nfs/dbraw/zinc/61/05/69/455610569.db2.gz IGLKVAQJRFKTHD-IBGZPJMESA-N 2 0 338.455 3.044 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C(N)=O)CCCC2)CC1 ZINC000284038367 455626654 /nfs/dbraw/zinc/62/66/54/455626654.db2.gz JRMWZLATACJOJX-UHFFFAOYSA-N 2 0 343.515 3.065 20 0 EGADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCC2(C)C)c1)C1CCOCC1 ZINC000284102449 455636191 /nfs/dbraw/zinc/63/61/91/455636191.db2.gz BUTKQISRUHKMPY-FQEVSTJZSA-N 2 0 346.515 3.454 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1Cl ZINC000284131883 455640853 /nfs/dbraw/zinc/64/08/53/455640853.db2.gz CWTBIFUGOMYDNZ-AWEZNQCLSA-N 2 0 340.895 3.235 20 0 EGADRP CC(C)CCOc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185880839 455642070 /nfs/dbraw/zinc/64/20/70/455642070.db2.gz FVRJZCSQHXCWOH-LJQANCHMSA-N 2 0 347.547 3.227 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000271523732 455671573 /nfs/dbraw/zinc/67/15/73/455671573.db2.gz VJBVBINQAWACET-WIYYLYMNSA-N 2 0 348.531 3.354 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000268404503 455673873 /nfs/dbraw/zinc/67/38/73/455673873.db2.gz SOWCZYMWTYUMSB-IBGZPJMESA-N 2 0 345.531 3.236 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000284368530 455674658 /nfs/dbraw/zinc/67/46/58/455674658.db2.gz ODXBTFQUPBQDTH-AVRDEDQJSA-N 2 0 342.527 3.407 20 0 EGADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284396383 455679380 /nfs/dbraw/zinc/67/93/80/455679380.db2.gz PMAAJSXTOMMYDX-RTBURBONSA-N 2 0 347.547 3.400 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000635136796 460686127 /nfs/dbraw/zinc/68/61/27/460686127.db2.gz YTNPXLWNHZRLDU-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OC)cc1 ZINC000268938964 455736558 /nfs/dbraw/zinc/73/65/58/455736558.db2.gz SGXNATZVKRGTAT-ICSRJNTNSA-N 2 0 334.504 3.363 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000268962849 455746924 /nfs/dbraw/zinc/74/69/24/455746924.db2.gz GCJNAYKDUKARFM-NSHDSACASA-N 2 0 349.327 3.479 20 0 EGADRP Fc1ccc(CC2([NH2+]CCC[NH+]3CCCCC3)CCOCC2)cc1 ZINC000292757971 455749789 /nfs/dbraw/zinc/74/97/89/455749789.db2.gz BSFNHPFXYRBPQK-UHFFFAOYSA-N 2 0 334.479 3.383 20 0 EGADRP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269047123 455775009 /nfs/dbraw/zinc/77/50/09/455775009.db2.gz VCVGBPPCUFHLII-ZIAGYGMSSA-N 2 0 348.409 3.245 20 0 EGADRP CCC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000186585331 455798876 /nfs/dbraw/zinc/79/88/76/455798876.db2.gz JCWHOXULCTUYPL-XLIONFOSSA-N 2 0 333.520 3.152 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000186582863 455799199 /nfs/dbraw/zinc/79/91/99/455799199.db2.gz MLERMNRGZLBIHS-HKUYNNGSSA-N 2 0 333.520 3.070 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000269175737 455803919 /nfs/dbraw/zinc/80/39/19/455803919.db2.gz ILIUHMIGFBHVSE-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186621141 455807137 /nfs/dbraw/zinc/80/71/37/455807137.db2.gz UMXYSTDCRIMLSD-GTPINHCMSA-N 2 0 349.485 3.218 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CCCCCC[NH3+] ZINC000269264572 455824134 /nfs/dbraw/zinc/82/41/34/455824134.db2.gz YCXLANBDVOPXNX-UHFFFAOYSA-N 2 0 333.520 3.266 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000278354510 455826872 /nfs/dbraw/zinc/82/68/72/455826872.db2.gz AZZDZEWQZFUVNI-ROUUACIJSA-N 2 0 342.487 3.024 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272191926 455872363 /nfs/dbraw/zinc/87/23/63/455872363.db2.gz MKJPZFRZWMFXHV-PXNSSMCTSA-N 2 0 338.499 3.148 20 0 EGADRP CC1(C)CC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC(C)(C)[NH2+]1 ZINC000279840101 455874610 /nfs/dbraw/zinc/87/46/10/455874610.db2.gz HAVJYOWQVSBCNE-UHFFFAOYSA-N 2 0 347.894 3.320 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744841 455907695 /nfs/dbraw/zinc/90/76/95/455907695.db2.gz YJDHPMPJUXZBRN-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)CCn2cccn2)cc1 ZINC000272330802 455916686 /nfs/dbraw/zinc/91/66/86/455916686.db2.gz KKMNRGUTVLBUHS-GOSISDBHSA-N 2 0 344.503 3.172 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000272334084 455917259 /nfs/dbraw/zinc/91/72/59/455917259.db2.gz YJUWFKWVHPXCJW-CBGDNZLLSA-N 2 0 345.531 3.032 20 0 EGADRP [NH3+]Cc1cc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)ccn1 ZINC000261659960 455923549 /nfs/dbraw/zinc/92/35/49/455923549.db2.gz FOKJBXBZIVORFX-UHFFFAOYSA-N 2 0 349.438 3.243 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272474796 455963617 /nfs/dbraw/zinc/96/36/17/455963617.db2.gz ABBBCWPHPRBYLM-CQSZACIVSA-N 2 0 337.895 3.379 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000261898555 455966834 /nfs/dbraw/zinc/96/68/34/455966834.db2.gz USRTWHXGVYLCJJ-DLBZAZTESA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000195526831 455979482 /nfs/dbraw/zinc/97/94/82/455979482.db2.gz ZCVHOYCBWXYCMF-BZSNNMDCSA-N 2 0 343.515 3.160 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000261995701 455983003 /nfs/dbraw/zinc/98/30/03/455983003.db2.gz NRQXDSNKCPKXTH-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262035156 455988473 /nfs/dbraw/zinc/98/84/73/455988473.db2.gz ZKULLYNCOJZJLE-GFCCVEGCSA-N 2 0 344.286 3.383 20 0 EGADRP Cc1nccn1CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272601948 456010503 /nfs/dbraw/zinc/01/05/03/456010503.db2.gz YNSULFFINOZLFR-YLJYHZDGSA-N 2 0 326.488 3.082 20 0 EGADRP CC(C)(C)CC[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000188269572 456032823 /nfs/dbraw/zinc/03/28/23/456032823.db2.gz CGTPDWIFNGAWOV-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272669151 456033176 /nfs/dbraw/zinc/03/31/76/456033176.db2.gz OVGFCDFZZOJCOS-WJMWBRGCSA-N 2 0 327.516 3.113 20 0 EGADRP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000262415578 456033709 /nfs/dbraw/zinc/03/37/09/456033709.db2.gz DNBULXPCEYADRV-LBPRGKRZSA-N 2 0 344.286 3.396 20 0 EGADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(Br)c1 ZINC000219308044 456035556 /nfs/dbraw/zinc/03/55/56/456035556.db2.gz HXZFQJWNAPQXFT-HNNXBMFYSA-N 2 0 329.282 3.068 20 0 EGADRP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000280922070 456082638 /nfs/dbraw/zinc/08/26/38/456082638.db2.gz GLQUDPVAYKNCBY-HKBOAZHASA-N 2 0 344.499 3.127 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000263317220 456125433 /nfs/dbraw/zinc/12/54/33/456125433.db2.gz ZQYIQYDTPVFDMO-HKUYNNGSSA-N 2 0 347.528 3.082 20 0 EGADRP CCCC[NH+]1CCC([NH2+]Cc2ccc(COCCOC)cc2)CC1 ZINC000289823734 456145528 /nfs/dbraw/zinc/14/55/28/456145528.db2.gz STWWIHCNLZGFEB-UHFFFAOYSA-N 2 0 334.504 3.204 20 0 EGADRP CC(C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236657747 456163759 /nfs/dbraw/zinc/16/37/59/456163759.db2.gz VHZHSJMTAJSGGZ-UXHICEINSA-N 2 0 345.531 3.339 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H]([NH2+]CC4=CCCOC4)[C@@H]3C2)cc1 ZINC000273077495 456170631 /nfs/dbraw/zinc/17/06/31/456170631.db2.gz PYOGJJLCFFKZFW-NJDAHSKKSA-N 2 0 326.484 3.223 20 0 EGADRP Cc1cccc(C)c1OCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297301132 456179301 /nfs/dbraw/zinc/17/93/01/456179301.db2.gz ABIAHNNEOOVPIV-UHFFFAOYSA-N 2 0 325.456 3.336 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189040248 456208715 /nfs/dbraw/zinc/20/87/15/456208715.db2.gz MNPZQILVHIBJRS-NHCUHLMSSA-N 2 0 329.532 3.015 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189123110 456233958 /nfs/dbraw/zinc/23/39/58/456233958.db2.gz GYTOBPMEAIREEP-PZJWPPBQSA-N 2 0 330.516 3.488 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1C ZINC000333889297 456272516 /nfs/dbraw/zinc/27/25/16/456272516.db2.gz WRZZTSJQTHJMOC-XLIONFOSSA-N 2 0 325.456 3.184 20 0 EGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000352784041 456303031 /nfs/dbraw/zinc/30/30/31/456303031.db2.gz MCAMUKBXEWTDRN-UHFFFAOYSA-N 2 0 345.531 3.148 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000281730798 456304335 /nfs/dbraw/zinc/30/43/35/456304335.db2.gz OCCPFMVFPDRIBV-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cnccc2C)[C@@H](C)C1 ZINC000290387390 456313755 /nfs/dbraw/zinc/31/37/55/456313755.db2.gz OJRNVDCGRFCBRJ-AZUAARDMSA-N 2 0 333.520 3.049 20 0 EGADRP COC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000275872485 456338417 /nfs/dbraw/zinc/33/84/17/456338417.db2.gz OGEAPBDJOKLQMS-UZLBHIALSA-N 2 0 331.504 3.402 20 0 EGADRP CSc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000352824401 456339911 /nfs/dbraw/zinc/33/99/11/456339911.db2.gz QDBRXBYUAGRDJF-OKILXGFUSA-N 2 0 328.547 3.449 20 0 EGADRP Cc1ccnc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000347742779 456343115 /nfs/dbraw/zinc/34/31/15/456343115.db2.gz RJRAPHSDDNBWAH-UHFFFAOYSA-N 3 0 330.520 3.023 20 0 EGADRP Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000343055552 456376844 /nfs/dbraw/zinc/37/68/44/456376844.db2.gz ADXXYEXYILQFJE-QZTJIDSGSA-N 2 0 345.874 3.414 20 0 EGADRP C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298266677 456411360 /nfs/dbraw/zinc/41/13/60/456411360.db2.gz GCMANCGLGJRZOY-KRWDZBQOSA-N 2 0 330.520 3.151 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000348011500 456438257 /nfs/dbraw/zinc/43/82/57/456438257.db2.gz SSSSZCRFUZXPND-HOTGVXAUSA-N 2 0 334.529 3.281 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cc[nH]c(=O)c1 ZINC000340448850 456468077 /nfs/dbraw/zinc/46/80/77/456468077.db2.gz PVKNWYHPLGGOMZ-JOCLIGHLSA-N 2 0 337.467 3.348 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000348087510 456469202 /nfs/dbraw/zinc/46/92/02/456469202.db2.gz PHQGWSRGNYXUNT-IRXDYDNUSA-N 2 0 327.476 3.182 20 0 EGADRP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000340494564 456492636 /nfs/dbraw/zinc/49/26/36/456492636.db2.gz FGDHCKPSUFWKLR-MSOLQXFVSA-N 2 0 345.531 3.313 20 0 EGADRP CC(C)[NH+]1CCC(NC2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000291085873 456523319 /nfs/dbraw/zinc/52/33/19/456523319.db2.gz OMAIAYHEFVRYGL-UHFFFAOYSA-N 2 0 347.522 3.295 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccccc2OC2CCCC2)CC1(C)C ZINC000282503846 456534233 /nfs/dbraw/zinc/53/42/33/456534233.db2.gz WXOUQGKDFPQPSH-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000282582384 456560443 /nfs/dbraw/zinc/56/04/43/456560443.db2.gz ZTFWUQOYMBVBCY-AHRSYUTCSA-N 2 0 334.479 3.261 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CCOCC1 ZINC000276948554 456628848 /nfs/dbraw/zinc/62/88/48/456628848.db2.gz CCXWZMZBHGXAAT-UHFFFAOYSA-N 2 0 346.515 3.348 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000343468221 456641922 /nfs/dbraw/zinc/64/19/22/456641922.db2.gz LUGCRXZQHPIJKR-AABGKKOBSA-N 2 0 345.531 3.243 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC[C@H](C)C2)cc1 ZINC000338001956 456648852 /nfs/dbraw/zinc/64/88/52/456648852.db2.gz MQZQTDCTDUHJFG-SFHVURJKSA-N 2 0 345.531 3.380 20 0 EGADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000277012502 456652330 /nfs/dbraw/zinc/65/23/30/456652330.db2.gz CELICMMBLCHHBX-XRXFAXGQSA-N 2 0 346.490 3.116 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353389348 456668256 /nfs/dbraw/zinc/66/82/56/456668256.db2.gz VFFFCMJGEXNUSX-XUVXKRRUSA-N 2 0 342.462 3.282 20 0 EGADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000326305796 456691671 /nfs/dbraw/zinc/69/16/71/456691671.db2.gz SWTWMQRUDZAMRJ-SFHVURJKSA-N 2 0 326.484 3.375 20 0 EGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000353513243 456726819 /nfs/dbraw/zinc/72/68/19/456726819.db2.gz FIIJEZXVHOOTDE-CRAIPNDOSA-N 2 0 340.458 3.112 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000283194065 456732540 /nfs/dbraw/zinc/73/25/40/456732540.db2.gz KVXGNYVIDDWKCA-BEVDRBHNSA-N 2 0 342.483 3.242 20 0 EGADRP Cc1csc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1Cl ZINC000277236009 456737893 /nfs/dbraw/zinc/73/78/93/456737893.db2.gz JVKNPISRSIGDNO-UHFFFAOYSA-N 2 0 345.940 3.056 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1)C(C)C ZINC000277244445 456741816 /nfs/dbraw/zinc/74/18/16/456741816.db2.gz JMIXSWMXTIHOSN-HXUWFJFHSA-N 2 0 345.531 3.473 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353548998 456751521 /nfs/dbraw/zinc/75/15/21/456751521.db2.gz CZEIQWFVSDFZBQ-LEWJYISDSA-N 2 0 346.490 3.444 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353567541 456767616 /nfs/dbraw/zinc/76/76/16/456767616.db2.gz ZLADAEVTADOIEX-QUCCMNQESA-N 2 0 326.488 3.164 20 0 EGADRP COc1ccc([C@H](O)C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000291855068 456778229 /nfs/dbraw/zinc/77/82/29/456778229.db2.gz PEYCQFGDEWRQAH-CTNGQTDRSA-N 2 0 346.515 3.315 20 0 EGADRP CCCC[N@H+](CCOC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000353586550 456784087 /nfs/dbraw/zinc/78/40/87/456784087.db2.gz DKGAFXCRHYKLER-UHFFFAOYSA-N 2 0 333.520 3.077 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000344109567 456797412 /nfs/dbraw/zinc/79/74/12/456797412.db2.gz DWZWCMAFKLMMAT-FOIQADDNSA-N 2 0 332.463 3.294 20 0 EGADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186905 456804394 /nfs/dbraw/zinc/80/43/94/456804394.db2.gz FXZMVWHZXQHYOL-NQIIRXRSSA-N 2 0 329.532 3.348 20 0 EGADRP COC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000353632362 456817447 /nfs/dbraw/zinc/81/74/47/456817447.db2.gz SHGCJCMIRBPDIR-MRXNPFEDSA-N 2 0 342.936 3.445 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC[NH+](C)CC1 ZINC000353660826 456839491 /nfs/dbraw/zinc/83/94/91/456839491.db2.gz OWQHGPXNMABOCT-INIZCTEOSA-N 2 0 344.528 3.350 20 0 EGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000348764650 456846933 /nfs/dbraw/zinc/84/69/33/456846933.db2.gz PXLXIQHLMLPLLZ-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000341572859 456878564 /nfs/dbraw/zinc/87/85/64/456878564.db2.gz HWJMEAHTDAMXMM-UHFFFAOYSA-N 2 0 328.460 3.061 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000292192574 456880805 /nfs/dbraw/zinc/88/08/05/456880805.db2.gz XPIIRKKCJLSOHQ-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000292192576 456880811 /nfs/dbraw/zinc/88/08/11/456880811.db2.gz XPIIRKKCJLSOHQ-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353960165 456980582 /nfs/dbraw/zinc/98/05/82/456980582.db2.gz UORRXGMUHXICGW-GJZGRUSLSA-N 2 0 336.442 3.446 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccsc3C)cc2)CC1 ZINC000339189961 456985075 /nfs/dbraw/zinc/98/50/75/456985075.db2.gz QLJDQZWALORTBF-UHFFFAOYSA-N 2 0 343.540 3.484 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CCC(OC)CC2)[C@H](C)C1 ZINC000349686858 457016943 /nfs/dbraw/zinc/01/69/43/457016943.db2.gz YBDVJOICEPBMRC-OAHAVBBTSA-N 2 0 340.552 3.308 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000354032552 457021886 /nfs/dbraw/zinc/02/18/86/457021886.db2.gz BRQBGXUGTUHRGW-UHFFFAOYSA-N 2 0 338.467 3.157 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000346614372 457080623 /nfs/dbraw/zinc/08/06/23/457080623.db2.gz VBMHOTCBMHIATB-TWOQFEAHSA-N 2 0 349.494 3.186 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000356620390 457087892 /nfs/dbraw/zinc/08/78/92/457087892.db2.gz NYMJIVLIIWZBLN-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C/C=C/c2ccc(F)cc2F)C[C@H](C)O1 ZINC000349904310 457101577 /nfs/dbraw/zinc/10/15/77/457101577.db2.gz JHLDZVDOVTXYNO-AXHPFZFWSA-N 2 0 338.442 3.457 20 0 EGADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)nn1 ZINC000342092422 457105050 /nfs/dbraw/zinc/10/50/50/457105050.db2.gz XGJUAQXHWVFBOH-KRWDZBQOSA-N 2 0 341.503 3.177 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342113207 457113706 /nfs/dbraw/zinc/11/37/06/457113706.db2.gz BLUXQQUYLXTHMN-TWKWOARYSA-N 2 0 337.467 3.226 20 0 EGADRP O[C@H](C[NH2+]CCCCc1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000354207826 457131165 /nfs/dbraw/zinc/13/11/65/457131165.db2.gz FYPZZSSPDJNSOA-OAHLLOKOSA-N 2 0 345.314 3.362 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]21 ZINC000342143767 457133623 /nfs/dbraw/zinc/13/36/23/457133623.db2.gz QSBKRUAXLCKDAK-KCQAQPDRSA-N 2 0 328.378 3.143 20 0 EGADRP COCCSCCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000362913190 457152373 /nfs/dbraw/zinc/15/23/73/457152373.db2.gz PUVUYVBXMQGVJY-SFHVURJKSA-N 2 0 328.566 3.200 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000359932407 457155281 /nfs/dbraw/zinc/15/52/81/457155281.db2.gz GAPBTCWPVPUFOA-OPYAIIAOSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000359932405 457155447 /nfs/dbraw/zinc/15/54/47/457155447.db2.gz GAPBTCWPVPUFOA-LQWHRVPQSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000354444843 457226850 /nfs/dbraw/zinc/22/68/50/457226850.db2.gz YJTBHHCAFNWWDM-LMMKCTJWSA-N 2 0 343.515 3.059 20 0 EGADRP c1cnc(Oc2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)cn1 ZINC000347168303 457267516 /nfs/dbraw/zinc/26/75/16/457267516.db2.gz MJKPBODYHABYIX-LJQANCHMSA-N 2 0 338.455 3.233 20 0 EGADRP CCOCc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000357055440 457301535 /nfs/dbraw/zinc/30/15/35/457301535.db2.gz RKMZXBQIOSMWOH-GOSISDBHSA-N 2 0 332.488 3.053 20 0 EGADRP CC(C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354658326 457302306 /nfs/dbraw/zinc/30/23/06/457302306.db2.gz QRFHXNRTXNENFN-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cccc([C@H](C)[NH+]2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000351545870 457304050 /nfs/dbraw/zinc/30/40/50/457304050.db2.gz SIECQJCMOFEKQY-AZUAARDMSA-N 2 0 345.531 3.248 20 0 EGADRP Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000354708284 457314398 /nfs/dbraw/zinc/31/43/98/457314398.db2.gz DSWHOIAITBWZAP-KRWDZBQOSA-N 2 0 338.499 3.148 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000355737758 457412764 /nfs/dbraw/zinc/41/27/64/457412764.db2.gz PXLQGIQOVLPLQB-UHFFFAOYSA-N 3 0 331.548 3.466 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000352496225 457415303 /nfs/dbraw/zinc/41/53/03/457415303.db2.gz SXQLZKTVQSEPMJ-OAHLLOKOSA-N 2 0 343.393 3.237 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000352505206 457423191 /nfs/dbraw/zinc/42/31/91/457423191.db2.gz YWFGVKHVRNVPQU-LJQANCHMSA-N 2 0 329.488 3.016 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000352536127 457447710 /nfs/dbraw/zinc/44/77/10/457447710.db2.gz ZWUWTOICCPKPPG-CQSZACIVSA-N 2 0 346.393 3.340 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000347474864 457451429 /nfs/dbraw/zinc/45/14/29/457451429.db2.gz LEOCEMQTTOCTFP-LPHOPBHVSA-N 2 0 331.504 3.052 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352539813 457451597 /nfs/dbraw/zinc/45/15/97/457451597.db2.gz CYRSOPAUJQPORF-UHFFFAOYSA-N 2 0 342.487 3.426 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352551407 457461831 /nfs/dbraw/zinc/46/18/31/457461831.db2.gz XMVFKFZAWPSWPR-JCYILVPMSA-N 2 0 336.907 3.413 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342724772 457480612 /nfs/dbraw/zinc/48/06/12/457480612.db2.gz HIYCEVKWBVILLZ-BXWFABGCSA-N 2 0 329.488 3.388 20 0 EGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000347520132 457481714 /nfs/dbraw/zinc/48/17/14/457481714.db2.gz IQXYKJSZWVQTSF-UHFFFAOYSA-N 2 0 349.478 3.206 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342732732 457485329 /nfs/dbraw/zinc/48/53/29/457485329.db2.gz LTUYIXLLVKIWCP-XUVXKRRUSA-N 2 0 343.515 3.118 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC000342749706 457498114 /nfs/dbraw/zinc/49/81/14/457498114.db2.gz ZUCMILVCKRBJKM-HOJAQTOUSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000364152065 457502517 /nfs/dbraw/zinc/50/25/17/457502517.db2.gz XDKNWJOZTKYYSE-ORYQWCPZSA-N 2 0 346.515 3.483 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000399751857 457510449 /nfs/dbraw/zinc/51/04/49/457510449.db2.gz ARAJWDZGRGLAKZ-BAGYTPMASA-N 2 0 335.495 3.433 20 0 EGADRP C[N@H+](CCSCc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370033335 457511000 /nfs/dbraw/zinc/51/10/00/457511000.db2.gz ZCVDXPNIPGJYKJ-HXUWFJFHSA-N 2 0 347.572 3.020 20 0 EGADRP Brc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400996456 457522885 /nfs/dbraw/zinc/52/28/85/457522885.db2.gz JAJQVBSGOFRDOY-IJLUTSLNSA-N 2 0 329.307 3.031 20 0 EGADRP CC[N@H+](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000352688245 457532793 /nfs/dbraw/zinc/53/27/93/457532793.db2.gz WAFYPBCUASJJPK-HKUYNNGSSA-N 2 0 348.535 3.016 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CN3CC(C)(C)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000356254960 457550933 /nfs/dbraw/zinc/55/09/33/457550933.db2.gz HQVGNCJRECXSER-CRAIPNDOSA-N 2 0 349.544 3.299 20 0 EGADRP c1cn([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000425500744 457577936 /nfs/dbraw/zinc/57/79/36/457577936.db2.gz DOEUGLVGXQVAMA-HXUWFJFHSA-N 2 0 339.487 3.101 20 0 EGADRP Cc1[nH+]ccc(NCc2ccc(OCCC[NH+](C)C)cc2)c1Cl ZINC000352747457 457578875 /nfs/dbraw/zinc/57/88/75/457578875.db2.gz WPCLXEJWLZVTAO-UHFFFAOYSA-N 2 0 333.863 3.408 20 0 EGADRP CC(C)[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000370479119 457658277 /nfs/dbraw/zinc/65/82/77/457658277.db2.gz YZFHRCLFOULDSV-BAGYTPMASA-N 2 0 343.559 3.384 20 0 EGADRP CC(C)[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000370479134 457658338 /nfs/dbraw/zinc/65/83/38/457658338.db2.gz YZFHRCLFOULDSV-HJNYFJLDSA-N 2 0 343.559 3.384 20 0 EGADRP CCc1nc(CN2CCC(C[NH2+]C[C@@H]3CCSC3)CC2)cs1 ZINC000370526371 457665958 /nfs/dbraw/zinc/66/59/58/457665958.db2.gz JTDFOZOFWMTJFN-HNNXBMFYSA-N 2 0 339.574 3.260 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCCc4ccccc43)C2)CC1 ZINC000370632838 457687083 /nfs/dbraw/zinc/68/70/83/457687083.db2.gz DGIBWXSECGRQEI-NQIIRXRSSA-N 2 0 327.516 3.212 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cnc2ccsc2c1 ZINC000370634348 457687316 /nfs/dbraw/zinc/68/73/16/457687316.db2.gz LCMROXLNRCHPKL-GDBMZVCRSA-N 2 0 344.528 3.115 20 0 EGADRP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370633370 457687406 /nfs/dbraw/zinc/68/74/06/457687406.db2.gz HBGZHNJOVPYLQI-TZIWHRDSSA-N 2 0 329.532 3.458 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370634876 457687636 /nfs/dbraw/zinc/68/76/36/457687636.db2.gz NHQFMUJPYWZJCE-HKUYNNGSSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000357789896 457690783 /nfs/dbraw/zinc/69/07/83/457690783.db2.gz FSCUZIZFNLOBPK-HBFSDRIKSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCCC1 ZINC000357813399 457699957 /nfs/dbraw/zinc/69/99/57/457699957.db2.gz GWNLDNDIPUXSAJ-NLWGTHIKSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370712381 457704488 /nfs/dbraw/zinc/70/44/88/457704488.db2.gz UYMSEHXIRDKXNZ-UZLBHIALSA-N 2 0 341.499 3.199 20 0 EGADRP CC[N@H+](CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000361396014 457717354 /nfs/dbraw/zinc/71/73/54/457717354.db2.gz CPTMVAAKVNZOSH-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000370842143 457727486 /nfs/dbraw/zinc/72/74/86/457727486.db2.gz DTWPAUDJQJFBAX-UWJYYQICSA-N 2 0 343.515 3.067 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358027194 457743967 /nfs/dbraw/zinc/74/39/67/457743967.db2.gz WMMGEATUPWMXSO-WFXMLNOXSA-N 2 0 348.531 3.447 20 0 EGADRP COC(=O)c1ccc(Cl)c(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000358039242 457747293 /nfs/dbraw/zinc/74/72/93/457747293.db2.gz URYDCCCLPVQRAB-INIZCTEOSA-N 2 0 346.814 3.175 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000433120937 457761308 /nfs/dbraw/zinc/76/13/08/457761308.db2.gz POLIMXXVWZRCCE-WOJBJXKFSA-N 2 0 343.515 3.203 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000433317743 457809187 /nfs/dbraw/zinc/80/91/87/457809187.db2.gz LYUOFNJVRHHXTN-FQEVSTJZSA-N 2 0 347.547 3.260 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000433347963 457817488 /nfs/dbraw/zinc/81/74/88/457817488.db2.gz QVSGCLRWVGMNII-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)OC(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361676813 457818775 /nfs/dbraw/zinc/81/87/75/457818775.db2.gz AUJNJNBZTSZUOP-WOJBJXKFSA-N 2 0 344.499 3.315 20 0 EGADRP CC(C)Oc1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371292048 457851594 /nfs/dbraw/zinc/85/15/94/457851594.db2.gz ARZCULMCOFAEDY-YZGWKJHDSA-N 2 0 332.488 3.157 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000411321820 457857450 /nfs/dbraw/zinc/85/74/50/457857450.db2.gz JBPWLOCAQLPICB-VQTJNVASSA-N 2 0 346.540 3.379 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000411346165 457861266 /nfs/dbraw/zinc/86/12/66/457861266.db2.gz IBLWUEWHWNMMMV-LJQANCHMSA-N 2 0 349.494 3.103 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CCOCC5)[C@H]3C2)cc1 ZINC000433776111 457882961 /nfs/dbraw/zinc/88/29/61/457882961.db2.gz XCBRIEGBCRLNJE-TUFLPTIASA-N 2 0 340.511 3.303 20 0 EGADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411475701 457898192 /nfs/dbraw/zinc/89/81/92/457898192.db2.gz TUXBPVXGLXYKMR-PMACEKPBSA-N 2 0 341.499 3.029 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000411541997 457915539 /nfs/dbraw/zinc/91/55/39/457915539.db2.gz XRXHGALEPJSIQR-LBPRGKRZSA-N 2 0 343.924 3.041 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000358307175 457923512 /nfs/dbraw/zinc/92/35/12/457923512.db2.gz UVDLSOJKRBOJPA-NWTFUFRBSA-N 2 0 332.463 3.026 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000444638746 457925582 /nfs/dbraw/zinc/92/55/82/457925582.db2.gz LSAOOWLUYSTNPL-GJZGRUSLSA-N 2 0 326.525 3.248 20 0 EGADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000361892377 457937087 /nfs/dbraw/zinc/93/70/87/457937087.db2.gz KVUZJQUDCZIGRF-LJQANCHMSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000411661079 457941470 /nfs/dbraw/zinc/94/14/70/457941470.db2.gz LMOQSYXXVPBYRT-GHTZIAJQSA-N 2 0 344.499 3.052 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000427161097 457950941 /nfs/dbraw/zinc/95/09/41/457950941.db2.gz DXBVILNJRCLLMH-XLIONFOSSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000367366508 457950954 /nfs/dbraw/zinc/95/09/54/457950954.db2.gz ANZCVYTZPDAFHZ-CTWPCTMYSA-N 2 0 343.515 3.076 20 0 EGADRP COc1cc(F)c([C@@H](C)[NH2+]CCCNc2ccccn2)cc1OC ZINC000361931636 457963140 /nfs/dbraw/zinc/96/31/40/457963140.db2.gz XLMOORYREKHBKP-CYBMUJFWSA-N 2 0 333.407 3.391 20 0 EGADRP OCC1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCSCC1 ZINC000411828469 457989262 /nfs/dbraw/zinc/98/92/62/457989262.db2.gz VMSHIFICJMKRMH-UHFFFAOYSA-N 2 0 334.529 3.020 20 0 EGADRP Clc1cccc(CC[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1Cl ZINC000434544050 458016190 /nfs/dbraw/zinc/01/61/90/458016190.db2.gz KKPWOBHYBSEALS-AWEZNQCLSA-N 2 0 343.298 3.190 20 0 EGADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506370 458047002 /nfs/dbraw/zinc/04/70/02/458047002.db2.gz JRXPEYAKFHBGLI-FQEVSTJZSA-N 2 0 349.478 3.442 20 0 EGADRP C/C(=C\c1ccccc1)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371869432 458102722 /nfs/dbraw/zinc/10/27/22/458102722.db2.gz HIXXTTCFJGXIBU-LVZFUZTISA-N 2 0 341.543 3.439 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412145648 458106790 /nfs/dbraw/zinc/10/67/90/458106790.db2.gz DFPOPGPSTGJAGO-IBGZPJMESA-N 2 0 343.515 3.086 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435372862 458122515 /nfs/dbraw/zinc/12/25/15/458122515.db2.gz SUFUVKBZHZYLRO-TZMCWYRMSA-N 2 0 346.393 3.196 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000435376148 458126047 /nfs/dbraw/zinc/12/60/47/458126047.db2.gz PUCWJYDVXQDJCX-CZUORRHYSA-N 2 0 346.906 3.371 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000435376990 458126885 /nfs/dbraw/zinc/12/68/85/458126885.db2.gz WYPWQLWVKSYFAF-MRXNPFEDSA-N 2 0 325.456 3.220 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc2)cs1 ZINC000435376939 458126998 /nfs/dbraw/zinc/12/69/98/458126998.db2.gz WKZHRQOUOAJDBX-BBRMVZONSA-N 2 0 331.485 3.200 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1C ZINC000435726760 458190841 /nfs/dbraw/zinc/19/08/41/458190841.db2.gz RUMWWKSPCISDTC-CAMMJAKZSA-N 2 0 336.520 3.351 20 0 EGADRP CC(C)[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000376098310 458195164 /nfs/dbraw/zinc/19/51/64/458195164.db2.gz VFMJZSWUIOUGQT-LEWJYISDSA-N 2 0 329.532 3.138 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435756229 458197821 /nfs/dbraw/zinc/19/78/21/458197821.db2.gz PBUCIXKNMBWTSC-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP Cc1nn(C)c(Cl)c1CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376145347 458212070 /nfs/dbraw/zinc/21/20/70/458212070.db2.gz ALQKWSJDZYKOOQ-LJQANCHMSA-N 2 0 346.906 3.384 20 0 EGADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000435877042 458216679 /nfs/dbraw/zinc/21/66/79/458216679.db2.gz MVCSQNWXWYJINM-AWEZNQCLSA-N 2 0 334.851 3.179 20 0 EGADRP C[NH2+]CCCN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000435884654 458218562 /nfs/dbraw/zinc/21/85/62/458218562.db2.gz VMVPXPGENADZII-OAQYLSRUSA-N 2 0 340.467 3.261 20 0 EGADRP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000446825799 458232651 /nfs/dbraw/zinc/23/26/51/458232651.db2.gz KVDNFLVBUQUCAJ-TZIWHRDSSA-N 2 0 330.516 3.346 20 0 EGADRP c1ccc(CN2CCC[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446884429 458242411 /nfs/dbraw/zinc/24/24/11/458242411.db2.gz OGMYMMCLGUXKJY-HXUWFJFHSA-N 2 0 327.516 3.115 20 0 EGADRP C[N@H+](CCCO[C@@H]1CCCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000358828783 458243321 /nfs/dbraw/zinc/24/33/21/458243321.db2.gz LIOKMSQJMLNQLX-LEWJYISDSA-N 2 0 346.515 3.374 20 0 EGADRP CC(C)[C@H]([NH3+])CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429141390 458280286 /nfs/dbraw/zinc/28/02/86/458280286.db2.gz KYBVERGLZAQSSG-HXUWFJFHSA-N 2 0 339.483 3.032 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000429147694 458282150 /nfs/dbraw/zinc/28/21/50/458282150.db2.gz CCCYOYSPPBKKCF-APWZRJJASA-N 2 0 331.504 3.118 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1)C(C)C ZINC000429153502 458282200 /nfs/dbraw/zinc/28/22/00/458282200.db2.gz VSRGPPHWPIKESM-QFBILLFUSA-N 2 0 331.504 3.116 20 0 EGADRP COc1cc(F)c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000447553834 458310414 /nfs/dbraw/zinc/31/04/14/458310414.db2.gz SINWDHPOAUOVFF-ZDUSSCGKSA-N 2 0 336.451 3.368 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000436489806 458313338 /nfs/dbraw/zinc/31/33/38/458313338.db2.gz WAOBUVXLJVAVKW-TYPHKJRUSA-N 2 0 330.516 3.176 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)o1 ZINC000447586016 458316772 /nfs/dbraw/zinc/31/67/72/458316772.db2.gz MGJGHKXGOQZCLR-HNNXBMFYSA-N 2 0 343.471 3.039 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCOCC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000447604315 458321115 /nfs/dbraw/zinc/32/11/15/458321115.db2.gz ZVYZKFCZFDBKQN-QGZVFWFLSA-N 2 0 344.503 3.026 20 0 EGADRP COc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000414889173 458326333 /nfs/dbraw/zinc/32/63/33/458326333.db2.gz FZPIHWMIYVAKDC-QZTJIDSGSA-N 2 0 344.430 3.078 20 0 EGADRP COCc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000459431953 458369034 /nfs/dbraw/zinc/36/90/34/458369034.db2.gz GDOYSJLHUUNSGU-AEFFLSMTSA-N 2 0 343.471 3.211 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000373207029 458430132 /nfs/dbraw/zinc/43/01/32/458430132.db2.gz CATXFAQCSSTVOP-PZJWPPBQSA-N 2 0 329.532 3.281 20 0 EGADRP C[C@H](CCNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000423442613 458433861 /nfs/dbraw/zinc/43/38/61/458433861.db2.gz ZHRPHNYBISDYSI-SJORKVTESA-N 2 0 339.483 3.347 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000423492514 458442338 /nfs/dbraw/zinc/44/23/38/458442338.db2.gz NILXDZDMOCDVSL-DMDPSCGWSA-N 2 0 327.266 3.236 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536124 458454198 /nfs/dbraw/zinc/45/41/98/458454198.db2.gz GQQLVXUIEIOWRG-LBPRGKRZSA-N 2 0 341.268 3.419 20 0 EGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000423557948 458456643 /nfs/dbraw/zinc/45/66/43/458456643.db2.gz IQEJTLFISLRPMV-INIZCTEOSA-N 2 0 329.513 3.392 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1Br ZINC000423555223 458457325 /nfs/dbraw/zinc/45/73/25/458457325.db2.gz LZRUZEOQJCBTDT-GFCCVEGCSA-N 2 0 339.277 3.418 20 0 EGADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000459729681 458459689 /nfs/dbraw/zinc/45/96/89/458459689.db2.gz DIAKDHONJOKMFU-KRWDZBQOSA-N 2 0 326.488 3.217 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000459732483 458460904 /nfs/dbraw/zinc/46/09/04/458460904.db2.gz GABZDICMTQNREH-CIAFKFPVSA-N 3 0 341.543 3.219 20 0 EGADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(SC)cc1OC ZINC000459739177 458465078 /nfs/dbraw/zinc/46/50/78/458465078.db2.gz SGOXBODXQMAUHS-AWEZNQCLSA-N 2 0 338.517 3.247 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000430585451 458466803 /nfs/dbraw/zinc/46/68/03/458466803.db2.gz SKDJNPYLEKBEOK-RWMBFGLXSA-N 2 0 343.393 3.092 20 0 EGADRP C[NH2+][C@@H]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430614665 458471479 /nfs/dbraw/zinc/47/14/79/458471479.db2.gz ZQVLPKJBIDWOOI-QGZVFWFLSA-N 2 0 339.439 3.101 20 0 EGADRP C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000430616739 458471746 /nfs/dbraw/zinc/47/17/46/458471746.db2.gz HINNWCSEANQNNN-ULQDDVLXSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000423720215 458475763 /nfs/dbraw/zinc/47/57/63/458475763.db2.gz AJWLETJZXGNYTQ-FPXQBCRKSA-N 2 0 329.488 3.184 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC000430687200 458480851 /nfs/dbraw/zinc/48/08/51/458480851.db2.gz PRYAIPAUEBTELB-QRVBRYPASA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000423791163 458484370 /nfs/dbraw/zinc/48/43/70/458484370.db2.gz YFDRPVBRQXDRFX-INIZCTEOSA-N 2 0 329.488 3.120 20 0 EGADRP Fc1cccc2[nH]c(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc21 ZINC000437716463 458485582 /nfs/dbraw/zinc/48/55/82/458485582.db2.gz MFGWXFZIUVCEKP-UHFFFAOYSA-N 2 0 345.462 3.241 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000430933600 458507929 /nfs/dbraw/zinc/50/79/29/458507929.db2.gz IZICKTOVLXNMJX-NEPJUHHUSA-N 2 0 343.393 3.092 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000430965437 458511665 /nfs/dbraw/zinc/51/16/65/458511665.db2.gz JKVRCYOLGGLZAR-QGZVFWFLSA-N 2 0 343.515 3.412 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]3CCC[C@H]32)cc1 ZINC000453117523 458519058 /nfs/dbraw/zinc/51/90/58/458519058.db2.gz JJYZJWHODOODJB-RZTRGMPVSA-N 2 0 326.484 3.339 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100589 458532003 /nfs/dbraw/zinc/53/20/03/458532003.db2.gz QGTLPLMLNRLODN-KRWDZBQOSA-N 2 0 348.516 3.071 20 0 EGADRP C[N@H+](CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000493891693 458595834 /nfs/dbraw/zinc/59/58/34/458595834.db2.gz OWNLHFMVDUNMCN-HSALFYBXSA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)(C)c1cn2c(n1)CC[C@@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCC3)C2 ZINC000493933662 458602488 /nfs/dbraw/zinc/60/24/88/458602488.db2.gz DVXYJNZFCTWFLE-KJWYOANISA-N 2 0 329.488 3.043 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ncc(-c3ccccc3F)o1)CC[NH2+]CC2 ZINC000424287432 458603670 /nfs/dbraw/zinc/60/36/70/458603670.db2.gz ITQPHMQZNPSZSP-CQSZACIVSA-N 2 0 329.419 3.445 20 0 EGADRP COC(=O)CC1CC([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000424300207 458609278 /nfs/dbraw/zinc/60/92/78/458609278.db2.gz JWKYZXPUQOUBHJ-HSFDUWRESA-N 2 0 344.499 3.218 20 0 EGADRP Cc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1Cl ZINC000424384753 458631398 /nfs/dbraw/zinc/63/13/98/458631398.db2.gz VMXZVZRMQNRUAM-UHFFFAOYSA-N 2 0 330.863 3.285 20 0 EGADRP COc1ccc2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)sc2c1 ZINC000424388578 458632261 /nfs/dbraw/zinc/63/22/61/458632261.db2.gz ZEXVLPUPZWJKRO-CYBMUJFWSA-N 2 0 331.485 3.269 20 0 EGADRP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000502281803 458643370 /nfs/dbraw/zinc/64/33/70/458643370.db2.gz AZCRQVDAIVTKSR-FQEVSTJZSA-N 2 0 334.504 3.190 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000462810502 458657035 /nfs/dbraw/zinc/65/70/35/458657035.db2.gz CVWPBIOHVFFTAM-NBMJBFSESA-N 2 0 331.479 3.114 20 0 EGADRP CC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)CC1 ZINC000462851368 458660383 /nfs/dbraw/zinc/66/03/83/458660383.db2.gz CNKOHONBZKNCRB-INIZCTEOSA-N 2 0 347.890 3.398 20 0 EGADRP COCC(C)(C)C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000494388162 458669518 /nfs/dbraw/zinc/66/95/18/458669518.db2.gz VKGHWMWCYZKRKU-IAGOWNOFSA-N 2 0 334.504 3.058 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000463026220 458671726 /nfs/dbraw/zinc/67/17/26/458671726.db2.gz VTKGTEFVNRRWNI-RTBURBONSA-N 2 0 334.504 3.309 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061951 458690836 /nfs/dbraw/zinc/69/08/36/458690836.db2.gz HUERBJYDIHFRMA-KRWDZBQOSA-N 2 0 335.467 3.349 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C12CCCCC2 ZINC000432430662 458738798 /nfs/dbraw/zinc/73/87/98/458738798.db2.gz UDXNGSVNSGHPTB-CEXWTWQISA-N 2 0 338.536 3.205 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1cncn1C ZINC000530355234 458753715 /nfs/dbraw/zinc/75/37/15/458753715.db2.gz MJMFPBXOATUTBW-LBPRGKRZSA-N 2 0 327.457 3.140 20 0 EGADRP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000472588762 458804048 /nfs/dbraw/zinc/80/40/48/458804048.db2.gz GGXHPSGWKZVQTK-HNNXBMFYSA-N 2 0 340.870 3.066 20 0 EGADRP Cc1ccc2[nH]c(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2c1C ZINC000473137404 458821999 /nfs/dbraw/zinc/82/19/99/458821999.db2.gz HVUICSWNDFOPSO-MRXNPFEDSA-N 2 0 343.515 3.309 20 0 EGADRP Cc1cc(C)cc(OCCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441268420 458908209 /nfs/dbraw/zinc/90/82/09/458908209.db2.gz XQIVOHIIYMIUJV-HMXCVIKNSA-N 2 0 346.515 3.256 20 0 EGADRP CCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000555774568 458910938 /nfs/dbraw/zinc/91/09/38/458910938.db2.gz CGJLHUWYTVVSDL-UHFFFAOYSA-N 2 0 337.552 3.410 20 0 EGADRP Cc1nnsc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000555880518 458917906 /nfs/dbraw/zinc/91/79/06/458917906.db2.gz OVLOBLRCNQQBNW-UHFFFAOYSA-N 2 0 330.501 3.191 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716307 458928867 /nfs/dbraw/zinc/92/88/67/458928867.db2.gz KKFYUVGVQYRLPH-LPHOPBHVSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566482980 458947179 /nfs/dbraw/zinc/94/71/79/458947179.db2.gz QVRQDPHTCGGEGC-DDTOSNHZSA-N 2 0 329.257 3.379 20 0 EGADRP COC[C@@H]1CCCC[NH+](CC(C)C[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000467123378 458952301 /nfs/dbraw/zinc/95/23/01/458952301.db2.gz YBEIAHJVTAGLQH-WOJBJXKFSA-N 2 0 340.552 3.120 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000495818261 458966189 /nfs/dbraw/zinc/96/61/89/458966189.db2.gz QJKBNABHOXSHFE-YZUHTNEWSA-N 2 0 339.524 3.285 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556872701 459025714 /nfs/dbraw/zinc/02/57/14/459025714.db2.gz RDANHBBMYRSQEJ-HNNXBMFYSA-N 2 0 340.458 3.376 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)CCCC[NH+](C)C)c2)CC1 ZINC000556939387 459034984 /nfs/dbraw/zinc/03/49/84/459034984.db2.gz CYIKHLHDYTYVID-UHFFFAOYSA-N 2 0 345.531 3.267 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000556939616 459035229 /nfs/dbraw/zinc/03/52/29/459035229.db2.gz HHJLCBBATNKTKH-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000577482199 459040162 /nfs/dbraw/zinc/04/01/62/459040162.db2.gz JVZZISXHDWCUQY-SJORKVTESA-N 2 0 334.533 3.303 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000442806184 459040317 /nfs/dbraw/zinc/04/03/17/459040317.db2.gz BIWNKCBPVBUJKF-XLIONFOSSA-N 2 0 343.515 3.437 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3C)CC1)C2 ZINC000532202525 459045651 /nfs/dbraw/zinc/04/56/51/459045651.db2.gz IGIWYFOKQNARMR-JJXUHFIVSA-N 2 0 342.531 3.275 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000442921628 459061355 /nfs/dbraw/zinc/06/13/55/459061355.db2.gz IXFUCDUUGVQWLN-GFCCVEGCSA-N 2 0 334.357 3.328 20 0 EGADRP CCCCc1noc(CN(CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000589999725 459064484 /nfs/dbraw/zinc/06/44/84/459064484.db2.gz WCMPSSFOZYFQBU-UHFFFAOYSA-N 2 0 330.476 3.496 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000557336958 459065706 /nfs/dbraw/zinc/06/57/06/459065706.db2.gz XQTGNOCFWMZPIC-OAQYLSRUSA-N 2 0 329.532 3.110 20 0 EGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443057568 459079886 /nfs/dbraw/zinc/07/98/86/459079886.db2.gz HAEYWRBCUUIGKP-DLBZAZTESA-N 2 0 339.483 3.078 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060892 459080366 /nfs/dbraw/zinc/08/03/66/459080366.db2.gz QAVGXAASXAGAMJ-NWDGAFQWSA-N 2 0 344.286 3.381 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CS1 ZINC000567302535 459082146 /nfs/dbraw/zinc/08/21/46/459082146.db2.gz PEAYWHCVOXEDSA-ZCNNSNEGSA-N 2 0 347.572 3.095 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000443064979 459082348 /nfs/dbraw/zinc/08/23/48/459082348.db2.gz ZEUXGOXJZSZXLM-OAHLLOKOSA-N 2 0 342.462 3.061 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000443077932 459086145 /nfs/dbraw/zinc/08/61/45/459086145.db2.gz VJEYYPPSIOACHD-ZDUSSCGKSA-N 2 0 343.393 3.095 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000532450038 459090730 /nfs/dbraw/zinc/09/07/30/459090730.db2.gz GYQQOVPLBPDKKL-SFHVURJKSA-N 2 0 333.520 3.154 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000532492512 459098251 /nfs/dbraw/zinc/09/82/51/459098251.db2.gz FYWWKRVJGSTEDX-HUUCEWRRSA-N 2 0 339.911 3.007 20 0 EGADRP COC(=O)c1ccc(Cl)c(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000590376383 459123022 /nfs/dbraw/zinc/12/30/22/459123022.db2.gz YZCJPORDECDMFS-UHFFFAOYSA-N 2 0 338.879 3.482 20 0 EGADRP O=C(CC[NH2+]CCCCC[NH+]1CCCC1)Nc1cc(F)cc(F)c1 ZINC000567606031 459133477 /nfs/dbraw/zinc/13/34/77/459133477.db2.gz RDBHTOVGXFBVLR-UHFFFAOYSA-N 2 0 339.430 3.149 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000558167981 459136194 /nfs/dbraw/zinc/13/61/94/459136194.db2.gz ZRKUCPZHFCOVCA-QGZVFWFLSA-N 2 0 331.504 3.065 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2c(C)c1 ZINC000479384742 459137549 /nfs/dbraw/zinc/13/75/49/459137549.db2.gz WZVXHDHDBWVTPW-KRWDZBQOSA-N 2 0 341.499 3.375 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578070501 459141939 /nfs/dbraw/zinc/14/19/39/459141939.db2.gz VPNANTIZYRGGQV-ZDUSSCGKSA-N 2 0 331.847 3.306 20 0 EGADRP Brc1cccc2c1C[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000578249873 459169927 /nfs/dbraw/zinc/16/99/27/459169927.db2.gz DNZCLVCIHLVXIV-UKRRQHHQSA-N 2 0 349.316 3.380 20 0 EGADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724538 459215512 /nfs/dbraw/zinc/21/55/12/459215512.db2.gz VTIAUQCHFMNVMG-IIAWOOMASA-N 2 0 341.421 3.214 20 0 EGADRP CC1(C)CC[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc21 ZINC000578640467 459234627 /nfs/dbraw/zinc/23/46/27/459234627.db2.gz XBUCRQXIVORTBL-QGZVFWFLSA-N 2 0 339.487 3.174 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000595100848 459246140 /nfs/dbraw/zinc/24/61/40/459246140.db2.gz BBZVHYYMZJCQRN-IQMFZBJNSA-N 2 0 334.529 3.197 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496625362 459264002 /nfs/dbraw/zinc/26/40/02/459264002.db2.gz SZOWAMZPBKAAJZ-IXDOHACOSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1nn(C)cc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000533739198 459265618 /nfs/dbraw/zinc/26/56/18/459265618.db2.gz XPOZUOOLKDJUCK-VQIMIIECSA-N 2 0 326.488 3.119 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000533865797 459274787 /nfs/dbraw/zinc/27/47/87/459274787.db2.gz AZRQEOBNONMLDK-WBVHZDCISA-N 2 0 348.450 3.390 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000496683885 459285228 /nfs/dbraw/zinc/28/52/28/459285228.db2.gz QECLQJDTVYETFS-HNNXBMFYSA-N 2 0 339.524 3.286 20 0 EGADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(OC(F)F)c1 ZINC000568415561 459286099 /nfs/dbraw/zinc/28/60/99/459286099.db2.gz XSXBHMZXIUEOQM-KGLIPLIRSA-N 2 0 328.403 3.436 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000482102592 459290027 /nfs/dbraw/zinc/29/00/27/459290027.db2.gz TVJXZACDLMVNLK-JFIYKMOQSA-N 2 0 335.923 3.405 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000496744306 459308202 /nfs/dbraw/zinc/30/82/02/459308202.db2.gz XARQYUMYDDBSEO-KZYLPZIUSA-N 2 0 339.524 3.237 20 0 EGADRP Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000582122819 459312752 /nfs/dbraw/zinc/31/27/52/459312752.db2.gz DGQLIMHENSYWBC-HZPDHXFCSA-N 2 0 329.419 3.302 20 0 EGADRP CCCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000482546200 459314462 /nfs/dbraw/zinc/31/44/62/459314462.db2.gz DCDXDXQPRUJRHY-PXNSSMCTSA-N 2 0 345.531 3.267 20 0 EGADRP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC[C@@H](C[NH3+])C1 ZINC000582181811 459321749 /nfs/dbraw/zinc/32/17/49/459321749.db2.gz SIFXZAIOKXBMLW-JSGCOSHPSA-N 2 0 334.851 3.046 20 0 EGADRP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000568859785 459357713 /nfs/dbraw/zinc/35/77/13/459357713.db2.gz VIKZXOFMDDJUFO-IBGZPJMESA-N 2 0 331.504 3.242 20 0 EGADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000568901183 459363704 /nfs/dbraw/zinc/36/37/04/459363704.db2.gz OMVSQQKAAUBDKL-OWCLPIDISA-N 2 0 329.410 3.168 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)c2ccccc2)CC1 ZINC000560577478 459374847 /nfs/dbraw/zinc/37/48/47/459374847.db2.gz SQIOWBBHMSMTDM-SOAGJPPSSA-N 2 0 329.532 3.389 20 0 EGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000568976443 459375913 /nfs/dbraw/zinc/37/59/13/459375913.db2.gz WBGDPCJFXYLSHH-QRWLVFNGSA-N 2 0 330.447 3.142 20 0 EGADRP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000582601473 459392565 /nfs/dbraw/zinc/39/25/65/459392565.db2.gz NMBPWKFFSVSMTK-GOSISDBHSA-N 2 0 348.531 3.402 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)N(CC(C)C)C(C)C)CC2)CC1 ZINC000569118245 459400183 /nfs/dbraw/zinc/40/01/83/459400183.db2.gz UYZVWHUYJWAFHH-UHFFFAOYSA-N 2 0 337.552 3.076 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000561396350 459449609 /nfs/dbraw/zinc/44/96/09/459449609.db2.gz HNABQVVNVZXLDI-QZTJIDSGSA-N 2 0 332.488 3.400 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000569460261 459455870 /nfs/dbraw/zinc/45/58/70/459455870.db2.gz FQVBSRSCFFTMJJ-HXUWFJFHSA-N 2 0 337.467 3.399 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000541572471 459467363 /nfs/dbraw/zinc/46/73/63/459467363.db2.gz MZISHMUDEHBRIP-PKOBYXMFSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000527298400 459624872 /nfs/dbraw/zinc/62/48/72/459624872.db2.gz SAVCBYFQSVTWSH-UHFFFAOYSA-N 2 0 346.384 3.253 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000562772754 459644372 /nfs/dbraw/zinc/64/43/72/459644372.db2.gz ZCVOPYLQRISWNP-GJZGRUSLSA-N 2 0 344.503 3.168 20 0 EGADRP O[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)N(Cc2ccccc2)C1 ZINC000527523718 459654566 /nfs/dbraw/zinc/65/45/66/459654566.db2.gz SAKNDWSNQXVUSP-RBUKOAKNSA-N 2 0 346.421 3.349 20 0 EGADRP Cc1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccn1 ZINC000527532948 459657466 /nfs/dbraw/zinc/65/74/66/459657466.db2.gz FIZOQNZJRRECNY-ROUUACIJSA-N 2 0 331.504 3.101 20 0 EGADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)CC(F)(F)F ZINC000562985166 459686509 /nfs/dbraw/zinc/68/65/09/459686509.db2.gz HYPRXSWXFWRCPW-KRWDZBQOSA-N 2 0 344.421 3.466 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000562986869 459687159 /nfs/dbraw/zinc/68/71/59/459687159.db2.gz CPXUFQBMPHXHTH-FUHIMQAGSA-N 2 0 336.495 3.077 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000584269230 459695630 /nfs/dbraw/zinc/69/56/30/459695630.db2.gz RSMZYILILBBERK-UHFFFAOYSA-N 2 0 336.332 3.172 20 0 EGADRP C[N@H+](C[C@@H](O)CN[C@@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676416 459716610 /nfs/dbraw/zinc/71/66/10/459716610.db2.gz JXZARNZRYRGLIS-PMACEKPBSA-N 2 0 344.886 3.474 20 0 EGADRP CCCN(C(=O)CCCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563202094 459737785 /nfs/dbraw/zinc/73/77/85/459737785.db2.gz SXJWHCRLGMTKEU-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCN2C2CCCC2)CC1 ZINC000527804898 459741482 /nfs/dbraw/zinc/74/14/82/459741482.db2.gz CMSONUJPHIBCKP-GOSISDBHSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000527868484 459762572 /nfs/dbraw/zinc/76/25/72/459762572.db2.gz UQKQVRWDDIAGGY-VQTJNVASSA-N 2 0 330.516 3.488 20 0 EGADRP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000566032284 459795953 /nfs/dbraw/zinc/79/59/53/459795953.db2.gz BBLUGOIAWMVERZ-XUVXKRRUSA-N 2 0 330.516 3.380 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000566063382 459800386 /nfs/dbraw/zinc/80/03/86/459800386.db2.gz RQLBPKXAGNSEGY-RHSMWYFYSA-N 2 0 344.421 3.321 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000566115449 459808915 /nfs/dbraw/zinc/80/89/15/459808915.db2.gz JGJSHDHPHDYIDA-HYVNUMGLSA-N 2 0 344.421 3.190 20 0 EGADRP COc1cc(F)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000566339616 459845768 /nfs/dbraw/zinc/84/57/68/459845768.db2.gz XXHLZYUSRYNYTO-OAHLLOKOSA-N 2 0 336.451 3.007 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621645978 459995536 /nfs/dbraw/zinc/99/55/36/459995536.db2.gz OUIBGBRBJPQDBU-ZWKOTPCHSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000621645597 459995958 /nfs/dbraw/zinc/99/59/58/459995958.db2.gz ILMFLVJAVTUMBQ-IAGOWNOFSA-N 2 0 331.504 3.012 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc21 ZINC000621756297 460051943 /nfs/dbraw/zinc/05/19/43/460051943.db2.gz KLTPIQMUOXHOAE-ICSRJNTNSA-N 2 0 343.515 3.442 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000598964812 460106674 /nfs/dbraw/zinc/10/66/74/460106674.db2.gz YRQRYTPHGNUNEP-MRXNPFEDSA-N 2 0 335.492 3.018 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000615617669 460360204 /nfs/dbraw/zinc/36/02/04/460360204.db2.gz BKRXRNWBSBEGAZ-PZJWPPBQSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000634678265 460472127 /nfs/dbraw/zinc/47/21/27/460472127.db2.gz NPDCHVOBGLYQMS-SFHVURJKSA-N 2 0 339.474 3.278 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3ncccc23)[C@H](C)C1 ZINC000634687501 460477824 /nfs/dbraw/zinc/47/78/24/460477824.db2.gz NGXMKUVTUJYRSN-YLJYHZDGSA-N 2 0 341.499 3.461 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(-c2ccnn2C)c1 ZINC000634733422 460497185 /nfs/dbraw/zinc/49/71/85/460497185.db2.gz FMDAGTBDNHQLKB-KRWDZBQOSA-N 2 0 326.488 3.263 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631668117 460501684 /nfs/dbraw/zinc/50/16/84/460501684.db2.gz VSNBRNMXHKLFOE-AZUAARDMSA-N 2 0 329.532 3.219 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000628742025 460520828 /nfs/dbraw/zinc/52/08/28/460520828.db2.gz AGGAFVPXIPWHFI-IBGZPJMESA-N 2 0 343.515 3.134 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623402222 460528883 /nfs/dbraw/zinc/52/88/83/460528883.db2.gz CGFLLSNTOYUAPB-CYBMUJFWSA-N 2 0 349.466 3.130 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623403357 460530397 /nfs/dbraw/zinc/53/03/97/460530397.db2.gz SNMGSTIUFSZJFN-UHFFFAOYSA-N 2 0 349.466 3.130 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cc2c1 ZINC000629539930 460800924 /nfs/dbraw/zinc/80/09/24/460800924.db2.gz SOHVUXAHRCYUCQ-DSKINZAPSA-N 2 0 339.483 3.262 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547504 460804515 /nfs/dbraw/zinc/80/45/15/460804515.db2.gz UDAODSIZVNDVGD-XPKDYRNWSA-N 2 0 325.859 3.036 20 0 EGADRP C[N@H+](Cc1ccccc1NC[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000629583023 460814329 /nfs/dbraw/zinc/81/43/29/460814329.db2.gz ZVUSRCCDFXWURA-FQEVSTJZSA-N 2 0 345.531 3.320 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1C ZINC000624119674 460868759 /nfs/dbraw/zinc/86/87/59/460868759.db2.gz GVHOZSITUICRGH-SJLPKXTDSA-N 2 0 331.504 3.342 20 0 EGADRP C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121763 460869299 /nfs/dbraw/zinc/86/92/99/460869299.db2.gz CRWKMFSINITCQL-JBACZVJFSA-N 2 0 329.532 3.219 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120994 460869873 /nfs/dbraw/zinc/86/98/73/460869873.db2.gz LHHQEFQMJZTPJH-DLBZAZTESA-N 2 0 331.504 3.288 20 0 EGADRP C[NH2+]CCn1cc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)cn1 ZINC000629697215 460870728 /nfs/dbraw/zinc/87/07/28/460870728.db2.gz WFKIRAOGEJOKHL-UHFFFAOYSA-N 2 0 342.487 3.024 20 0 EGADRP [NH3+]C[C@H](CO)Cc1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000629697259 460871397 /nfs/dbraw/zinc/87/13/97/460871397.db2.gz YGWJLWVXMISGLT-HXUWFJFHSA-N 2 0 338.495 3.449 20 0 EGADRP Cn1nc(C(F)(F)F)cc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000629722833 460888218 /nfs/dbraw/zinc/88/82/18/460888218.db2.gz WPLGCXMCUZQJES-UHFFFAOYSA-N 2 0 338.377 3.029 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183222 461036125 /nfs/dbraw/zinc/03/61/25/461036125.db2.gz UPRISHQOYQVXLQ-DZGCQCFKSA-N 2 0 340.309 3.457 20 0 EGADRP Cc1ccc(OCCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000652348130 461141963 /nfs/dbraw/zinc/14/19/63/461141963.db2.gz VKWQONPWOQKXMA-IRFCIJBXSA-N 2 0 346.515 3.291 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000652348217 461142087 /nfs/dbraw/zinc/14/20/87/461142087.db2.gz XRSQIZQUJJOQAT-PMUMKWKESA-N 2 0 340.870 3.240 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3coc(-c4cccs4)n3)C2)C1 ZINC000652348826 461142866 /nfs/dbraw/zinc/14/28/66/461142866.db2.gz SKJJLNNFPOYEAB-SQWLQELKSA-N 2 0 347.484 3.121 20 0 EGADRP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652347225 461143074 /nfs/dbraw/zinc/14/30/74/461143074.db2.gz WPXOVOAZSWRVJJ-IRFCIJBXSA-N 2 0 346.515 3.291 20 0 EGADRP C[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CC[NH3+] ZINC000652355142 461150921 /nfs/dbraw/zinc/15/09/21/461150921.db2.gz QBIPSWCYYOHGQQ-CZUORRHYSA-N 2 0 348.878 3.382 20 0 EGADRP C[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CC[NH3+] ZINC000652354737 461151439 /nfs/dbraw/zinc/15/14/39/461151439.db2.gz GWSJHSTXZFMCFI-BBRMVZONSA-N 2 0 348.878 3.382 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2OC(F)F)C1 ZINC000652361974 461155157 /nfs/dbraw/zinc/15/51/57/461155157.db2.gz UZRXYDXXDGYEQL-INMHGKMJSA-N 2 0 340.414 3.149 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc3ccccc3s2)C1 ZINC000652363989 461157719 /nfs/dbraw/zinc/15/77/19/461157719.db2.gz UFESOUOHYLGHEL-FVQBIDKESA-N 2 0 331.485 3.157 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCc3nsc4ccccc43)CC2)C1 ZINC000662281543 461163853 /nfs/dbraw/zinc/16/38/53/461163853.db2.gz NQBMNPLBIQZIEP-MAUKXSAKSA-N 2 0 345.512 3.057 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000662279953 461163992 /nfs/dbraw/zinc/16/39/92/461163992.db2.gz BLHSUTHXRTVGDY-IOMROCGXSA-N 2 0 328.500 3.325 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)on2)cc1 ZINC000662284873 461164572 /nfs/dbraw/zinc/16/45/72/461164572.db2.gz ZTSKUMLVPCCWOB-YCPHGPKFSA-N 2 0 329.444 3.155 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662290408 461167387 /nfs/dbraw/zinc/16/73/87/461167387.db2.gz UGYAQGHWLIDIKO-LJQANCHMSA-N 2 0 343.515 3.140 20 0 EGADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312827 461183647 /nfs/dbraw/zinc/18/36/47/461183647.db2.gz FVFMELLTHPEXAP-JTDSTZFVSA-N 2 0 349.494 3.185 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCC[C@H]1O ZINC000649572666 461184553 /nfs/dbraw/zinc/18/45/53/461184553.db2.gz DTNSCNZPLGBRSG-AZUAARDMSA-N 2 0 331.504 3.171 20 0 EGADRP Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662316482 461187914 /nfs/dbraw/zinc/18/79/14/461187914.db2.gz WXIYHQJHZFQWNQ-SJLPKXTDSA-N 2 0 342.487 3.308 20 0 EGADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000638023465 461204434 /nfs/dbraw/zinc/20/44/34/461204434.db2.gz NYCZDDUFMKZTDB-AZUAARDMSA-N 2 0 338.536 3.016 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662381634 461222651 /nfs/dbraw/zinc/22/26/51/461222651.db2.gz YLYOPROHIRIDLR-FPOVZHCZSA-N 2 0 349.478 3.002 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662583729 461304047 /nfs/dbraw/zinc/30/40/47/461304047.db2.gz ICVPITXKNDVOAI-SFHVURJKSA-N 2 0 343.515 3.012 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CCCC[NH+]2CCCCC2)o1 ZINC000641661939 461310264 /nfs/dbraw/zinc/31/02/64/461310264.db2.gz QZHGNRSZKBHGER-UHFFFAOYSA-N 2 0 349.519 3.460 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000633943735 461341884 /nfs/dbraw/zinc/34/18/84/461341884.db2.gz RVUMLKGOQYSUCU-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000662693362 461350052 /nfs/dbraw/zinc/35/00/52/461350052.db2.gz ULJPVIGKZTXMOP-GOSISDBHSA-N 2 0 329.488 3.042 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000668631028 461364278 /nfs/dbraw/zinc/36/42/78/461364278.db2.gz MVDREGGRRWZVJV-PZJWPPBQSA-N 2 0 346.515 3.408 20 0 EGADRP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000655712244 461382869 /nfs/dbraw/zinc/38/28/69/461382869.db2.gz PIKDLGXVJIKBRT-AZUAARDMSA-N 2 0 327.516 3.049 20 0 EGADRP CCC(CC)(CNC(=O)C1([NH+](C)C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000668716713 461394364 /nfs/dbraw/zinc/39/43/64/461394364.db2.gz FFVCFKCTBZUWTR-INIZCTEOSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655752568 461418208 /nfs/dbraw/zinc/41/82/08/461418208.db2.gz QRMYONKCICHIAR-FQEVSTJZSA-N 2 0 343.515 3.256 20 0 EGADRP CNC(=O)CCC[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638438690 461428117 /nfs/dbraw/zinc/42/81/17/461428117.db2.gz LSJPLCXCTMVNSY-OAQYLSRUSA-N 2 0 345.531 3.041 20 0 EGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@@H]2CCc3ccccc32)CC1 ZINC000659891565 461485543 /nfs/dbraw/zinc/48/55/43/461485543.db2.gz OTQQOAQPVWUYGN-PXNSSMCTSA-N 2 0 330.516 3.131 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000647085204 461497176 /nfs/dbraw/zinc/49/71/76/461497176.db2.gz VGKJUYCKSMWGJV-SFHVURJKSA-N 2 0 343.471 3.331 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653110847 461505983 /nfs/dbraw/zinc/50/59/83/461505983.db2.gz WQNAOPAGNRUJMS-RTBURBONSA-N 2 0 327.472 3.142 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631064026 461517861 /nfs/dbraw/zinc/51/78/61/461517861.db2.gz KTBWOWFPKYMSMF-UHFFFAOYSA-N 2 0 329.463 3.096 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638722465 461548728 /nfs/dbraw/zinc/54/87/28/461548728.db2.gz REPWSCWSYIASRZ-LIRRHRJNSA-N 2 0 334.479 3.274 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638781532 461575430 /nfs/dbraw/zinc/57/54/30/461575430.db2.gz VONJJEWYXMFWAL-QQOZLPODSA-N 2 0 339.527 3.427 20 0 EGADRP [NH3+]C1(CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC1 ZINC000653253147 461591873 /nfs/dbraw/zinc/59/18/73/461591873.db2.gz IOTRLMDYCIOMIO-UHFFFAOYSA-N 2 0 333.501 3.085 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000643057126 461599467 /nfs/dbraw/zinc/59/94/67/461599467.db2.gz AGZZOPKCNDVAOU-FXAWDEMLSA-N 2 0 326.440 3.280 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000638853317 461619409 /nfs/dbraw/zinc/61/94/09/461619409.db2.gz DXXYJQINYVEDHY-RTWAWAEBSA-N 2 0 346.515 3.060 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000638862209 461624854 /nfs/dbraw/zinc/62/48/54/461624854.db2.gz NXHZTXDLTRJVBX-MJGOQNOKSA-N 2 0 343.515 3.190 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000656197850 461642857 /nfs/dbraw/zinc/64/28/57/461642857.db2.gz CBJUDXRGVCJPQN-AGIUHOORSA-N 2 0 328.287 3.432 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C(C)(C)C ZINC000666471337 461649534 /nfs/dbraw/zinc/64/95/34/461649534.db2.gz SEYLGZGQWGIWEV-MRXNPFEDSA-N 2 0 345.531 3.156 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000663466256 461655645 /nfs/dbraw/zinc/65/56/45/461655645.db2.gz QDTUWYIUWYBWBO-SJLPKXTDSA-N 2 0 343.515 3.161 20 0 EGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663467167 461656552 /nfs/dbraw/zinc/65/65/52/461656552.db2.gz DDNZHCBBGDPOKK-MAUKXSAKSA-N 2 0 329.488 3.418 20 0 EGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663467171 461658117 /nfs/dbraw/zinc/65/81/17/461658117.db2.gz DDNZHCBBGDPOKK-YJBOKZPZSA-N 2 0 329.488 3.418 20 0 EGADRP C[NH2+]C[C@@H](C)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000663508791 461678236 /nfs/dbraw/zinc/67/82/36/461678236.db2.gz DTNXPQUFRUSPMK-CYBMUJFWSA-N 2 0 331.847 3.290 20 0 EGADRP CC[C@H](CC(F)F)C[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660333695 461715056 /nfs/dbraw/zinc/71/50/56/461715056.db2.gz DHWNYDQAMZFICC-APWZRJJASA-N 2 0 340.458 3.237 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)cn2)n1 ZINC000643463513 461734665 /nfs/dbraw/zinc/73/46/65/461734665.db2.gz UGKKKOJCBPAGNO-BEFAXECRSA-N 2 0 341.503 3.285 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2cc(-c3ccncc3)ccc2OC)CC[C@@H]1[NH3+] ZINC000647497878 461737865 /nfs/dbraw/zinc/73/78/65/461737865.db2.gz YYDCYFSKKCOVMX-BEFAXECRSA-N 2 0 325.456 3.316 20 0 EGADRP CC[C@H]1C[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647498773 461739438 /nfs/dbraw/zinc/73/94/38/461739438.db2.gz QGTTYZLHWYXCSD-FPOVZHCZSA-N 2 0 340.515 3.416 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523426 461752979 /nfs/dbraw/zinc/75/29/79/461752979.db2.gz CTTWJLJIYOLLNJ-ZDUSSCGKSA-N 2 0 343.858 3.450 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534670 461754261 /nfs/dbraw/zinc/75/42/61/461754261.db2.gz ZRNKEZSRXUWNHK-HUUCEWRRSA-N 2 0 339.252 3.307 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)nnn1-c1ccc(Cl)cc1 ZINC000643534856 461754564 /nfs/dbraw/zinc/75/45/64/461754564.db2.gz DTIRSILAVCPFFZ-LRDDRELGSA-N 2 0 345.878 3.022 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533759 461754719 /nfs/dbraw/zinc/75/47/19/461754719.db2.gz DDJGYAHYGUOKGC-WFASDCNBSA-N 2 0 328.485 3.306 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533756 461754888 /nfs/dbraw/zinc/75/48/88/461754888.db2.gz DDJGYAHYGUOKGC-DOMZBBRYSA-N 2 0 328.485 3.306 20 0 EGADRP C[C@@H](Cc1cccs1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000643544690 461758931 /nfs/dbraw/zinc/75/89/31/461758931.db2.gz YPZCVDCDSJBVPA-KRWDZBQOSA-N 2 0 343.540 3.262 20 0 EGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000653616619 461762546 /nfs/dbraw/zinc/76/25/46/461762546.db2.gz QRFBRQNLIQSLPP-QFBILLFUSA-N 2 0 344.503 3.231 20 0 EGADRP Clc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000647549054 461763287 /nfs/dbraw/zinc/76/32/87/461763287.db2.gz GXUJVCRYYPYKTN-BRWVUGGUSA-N 2 0 348.918 3.366 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000669685422 461764885 /nfs/dbraw/zinc/76/48/85/461764885.db2.gz HNCDEAAHLRHRDQ-UHFFFAOYSA-N 2 0 332.488 3.068 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498704 461767609 /nfs/dbraw/zinc/76/76/09/461767609.db2.gz AHABNLNORGWSAS-MTFMMBMASA-N 2 0 346.540 3.399 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](N4CCOCC4)CC3)cc2c1 ZINC000660472230 461798467 /nfs/dbraw/zinc/79/84/67/461798467.db2.gz CHQWETXSKRTRHO-HXUWFJFHSA-N 2 0 339.483 3.230 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1)C1CCCC1 ZINC000647785557 461832933 /nfs/dbraw/zinc/83/29/33/461832933.db2.gz AYALWITYBMDBMX-GBESFXJTSA-N 2 0 341.499 3.293 20 0 EGADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647784422 461833111 /nfs/dbraw/zinc/83/31/11/461833111.db2.gz TUXMACQEMFSZKV-VNHYZAJKSA-N 2 0 341.268 3.108 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1)c1ccco1 ZINC000647786791 461834420 /nfs/dbraw/zinc/83/44/20/461834420.db2.gz YTNLOXIYQCHIST-LZLYRXPVSA-N 2 0 339.439 3.010 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788586 461835566 /nfs/dbraw/zinc/83/55/66/461835566.db2.gz MNFPUBLJLHJFRG-PWRODBHTSA-N 3 0 327.516 3.150 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)cc1 ZINC000647788561 461835708 /nfs/dbraw/zinc/83/57/08/461835708.db2.gz MCVVMDJGVORTGF-BURNTYAHSA-N 2 0 327.516 3.110 20 0 EGADRP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789178 461836025 /nfs/dbraw/zinc/83/60/25/461836025.db2.gz ZWAIWCCQHSHQGA-OKZBNKHCSA-N 2 0 341.524 3.406 20 0 EGADRP Clc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCOCC2)cc1 ZINC000647792303 461836708 /nfs/dbraw/zinc/83/67/08/461836708.db2.gz YVLDJIUMNKMNMD-TXPKVOOTSA-N 2 0 348.918 3.366 20 0 EGADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000647792078 461836782 /nfs/dbraw/zinc/83/67/82/461836782.db2.gz SHIYBIDONHPQKT-MELADBBJSA-N 2 0 341.268 3.108 20 0 EGADRP Brc1cccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647791287 461836854 /nfs/dbraw/zinc/83/68/54/461836854.db2.gz BMKDJMAZAOSDNV-WOSRLPQWSA-N 2 0 335.289 3.416 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1)c1ccccc1 ZINC000647794187 461838547 /nfs/dbraw/zinc/83/85/47/461838547.db2.gz TXWHTLKORMOLGL-SLFFLAALSA-N 2 0 349.478 3.417 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n(-c2ccccc2)n1 ZINC000647792855 461838730 /nfs/dbraw/zinc/83/87/30/461838730.db2.gz BGORMHNHUPNVGZ-GDAAHCPNSA-N 2 0 338.499 3.089 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)cc1 ZINC000666907951 461862954 /nfs/dbraw/zinc/86/29/54/461862954.db2.gz YEAJXRDCZJCIDH-UHFFFAOYSA-N 2 0 339.483 3.275 20 0 EGADRP c1ccc(CCOC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000647881207 461868990 /nfs/dbraw/zinc/86/89/90/461868990.db2.gz SLYBCXZPYUGIRC-UHFFFAOYSA-N 2 0 330.516 3.490 20 0 EGADRP Clc1ccc(Br)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952125 461885758 /nfs/dbraw/zinc/88/57/58/461885758.db2.gz GVZDNTIGPNWLSS-ZDUSSCGKSA-N 2 0 329.669 3.334 20 0 EGADRP CC[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000647934606 461892451 /nfs/dbraw/zinc/89/24/51/461892451.db2.gz KFSDNIAZJNVVFW-NHYWBVRUSA-N 2 0 345.256 3.026 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785584 461896230 /nfs/dbraw/zinc/89/62/30/461896230.db2.gz MJRXYBPTQGEFIM-QGZVFWFLSA-N 2 0 325.456 3.152 20 0 EGADRP FC(F)(F)c1cccnc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786420 461897730 /nfs/dbraw/zinc/89/77/30/461897730.db2.gz MJSFERQOQJKDDV-AWEZNQCLSA-N 2 0 327.394 3.312 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786209 461898394 /nfs/dbraw/zinc/89/83/94/461898394.db2.gz PRUFZPRIIUEPPG-NRFANRHFSA-N 2 0 338.499 3.143 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000650707354 461901389 /nfs/dbraw/zinc/90/13/89/461901389.db2.gz DHJMQMWYKPVMSL-SCRDCRAPSA-N 2 0 348.434 3.485 20 0 EGADRP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000650710135 461902461 /nfs/dbraw/zinc/90/24/61/461902461.db2.gz FNEGRQASXXZPHC-YQQAZPJKSA-N 2 0 341.430 3.491 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995110 461902858 /nfs/dbraw/zinc/90/28/58/461902858.db2.gz DKYYQXLPZPRVKX-NVXWUHKLSA-N 2 0 329.488 3.230 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654975 461904671 /nfs/dbraw/zinc/90/46/71/461904671.db2.gz JRBOTDZRRMKCLU-LJQANCHMSA-N 2 0 329.419 3.398 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998434 461905687 /nfs/dbraw/zinc/90/56/87/461905687.db2.gz UDEIJPRQTKSNLU-AWEZNQCLSA-N 2 0 328.378 3.392 20 0 EGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717730 461910173 /nfs/dbraw/zinc/91/01/73/461910173.db2.gz KPTMXLHCHHANLW-AWEZNQCLSA-N 2 0 329.419 3.100 20 0 EGADRP CC(C)(C)c1nc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722787 461914131 /nfs/dbraw/zinc/91/41/31/461914131.db2.gz BGOYDRAWLVJQQA-IMJJTQAJSA-N 2 0 337.533 3.301 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000650724069 461915897 /nfs/dbraw/zinc/91/58/97/461915897.db2.gz XWDPWFQFTAATKB-HYVNUMGLSA-N 2 0 326.843 3.340 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974967 461917802 /nfs/dbraw/zinc/91/78/02/461917802.db2.gz DRDZJZMQNOKIGO-OAGGEKHMSA-N 2 0 349.906 3.379 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977335 461918193 /nfs/dbraw/zinc/91/81/93/461918193.db2.gz AAGYQOHCLXNMRH-IPMKNSEASA-N 2 0 343.515 3.342 20 0 EGADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647978889 461920671 /nfs/dbraw/zinc/92/06/71/461920671.db2.gz ZWWPOLOTVKQVBW-KGLIPLIRSA-N 2 0 327.394 3.312 20 0 EGADRP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647977887 461921272 /nfs/dbraw/zinc/92/12/72/461921272.db2.gz JLGAOPBWLNKPGZ-SJORKVTESA-N 2 0 342.462 3.223 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc2cccnc12 ZINC000667041685 461925413 /nfs/dbraw/zinc/92/54/13/461925413.db2.gz HACSQTLURZGHEE-PZJWPPBQSA-N 2 0 339.483 3.262 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650751849 461932661 /nfs/dbraw/zinc/93/26/61/461932661.db2.gz CLPVYZNLZGQQHU-IERDGZPVSA-N 2 0 341.474 3.285 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762032 461940457 /nfs/dbraw/zinc/94/04/57/461940457.db2.gz QUXHDALIMVZDBT-LBPRGKRZSA-N 2 0 329.307 3.477 20 0 EGADRP Cn1c2cc(F)ccc2nc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664153726 461962138 /nfs/dbraw/zinc/96/21/38/461962138.db2.gz YZPYEYJJFLPERO-UHFFFAOYSA-N 2 0 346.450 3.015 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000644522330 461969277 /nfs/dbraw/zinc/96/92/77/461969277.db2.gz NSSIVZMVOBNAAY-RXVVDRJESA-N 2 0 348.531 3.184 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC2(CCCC2)O1 ZINC000648077405 461971583 /nfs/dbraw/zinc/97/15/83/461971583.db2.gz OVOIFSGLIFKLIZ-KRWDZBQOSA-N 2 0 332.488 3.161 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c2)CC1 ZINC000644535771 461974880 /nfs/dbraw/zinc/97/48/80/461974880.db2.gz AHJSFVTVTFUWJO-KRWDZBQOSA-N 2 0 344.421 3.321 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594242 462008007 /nfs/dbraw/zinc/00/80/07/462008007.db2.gz YEQUWCXSCPLSBL-ZWKOTPCHSA-N 2 0 326.488 3.233 20 0 EGADRP Cc1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cnc1N1CCCC[C@@H]1C ZINC000667345696 462050488 /nfs/dbraw/zinc/05/04/88/462050488.db2.gz MEAUPHCXRMUQBP-HOTGVXAUSA-N 2 0 345.491 3.032 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657398850 462097576 /nfs/dbraw/zinc/09/75/76/462097576.db2.gz DBYGLABWTZJKFU-QZTJIDSGSA-N 2 0 345.512 3.154 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)cc21 ZINC000657420636 462112678 /nfs/dbraw/zinc/11/26/78/462112678.db2.gz FMXUYEWBRBWNMT-UHFFFAOYSA-N 2 0 338.455 3.102 20 0 EGADRP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000651210961 462135728 /nfs/dbraw/zinc/13/57/28/462135728.db2.gz JEERRAVJHALZLP-QUCCMNQESA-N 2 0 346.515 3.072 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000654309117 462151458 /nfs/dbraw/zinc/15/14/58/462151458.db2.gz VSWUKDCYVBKPMB-PMACEKPBSA-N 2 0 343.515 3.275 20 0 EGADRP Cc1c(Br)cncc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000657493457 462155844 /nfs/dbraw/zinc/15/58/44/462155844.db2.gz DFXCDDJLYOSRAX-UHFFFAOYSA-N 2 0 326.282 3.115 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000648576236 462185130 /nfs/dbraw/zinc/18/51/30/462185130.db2.gz ZRKJBECAPGPFSF-MSOLQXFVSA-N 2 0 332.488 3.207 20 0 EGADRP COc1ccc(F)cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613213 462203603 /nfs/dbraw/zinc/20/36/03/462203603.db2.gz IVNQYRGAYKDADT-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000639984147 462204876 /nfs/dbraw/zinc/20/48/76/462204876.db2.gz QHRHLQBGNNHSJB-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000667705533 462224940 /nfs/dbraw/zinc/22/49/40/462224940.db2.gz FXSOXHGSCSHNHV-ILZDJORESA-N 2 0 332.488 3.016 20 0 EGADRP CC(C)(C)N1C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000657754936 462253592 /nfs/dbraw/zinc/25/35/92/462253592.db2.gz JSNLMXMHPLOGPF-INIZCTEOSA-N 2 0 335.536 3.020 20 0 EGADRP CCOc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000657811433 462277889 /nfs/dbraw/zinc/27/78/89/462277889.db2.gz BQYDFHZWXSAMOZ-UHFFFAOYSA-N 2 0 332.488 3.306 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812474 462279280 /nfs/dbraw/zinc/27/92/80/462279280.db2.gz DEBSJJMXYYHARG-GCJKJVERSA-N 2 0 341.543 3.219 20 0 EGADRP CC(C)(O)C(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648832603 462298056 /nfs/dbraw/zinc/29/80/56/462298056.db2.gz KMKVCHJIAHCJEE-UHFFFAOYSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000651727933 462316864 /nfs/dbraw/zinc/31/68/64/462316864.db2.gz FYMKIVYOTBEJNI-WMZOPIPTSA-N 2 0 337.552 3.172 20 0 EGADRP CSc1ccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000645508845 462352478 /nfs/dbraw/zinc/35/24/78/462352478.db2.gz QHAVHCBYPWJRLA-BEFAXECRSA-N 2 0 335.561 3.331 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000648996089 462361481 /nfs/dbraw/zinc/36/14/81/462361481.db2.gz MEEAUBPKIVHMQD-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000648996646 462364114 /nfs/dbraw/zinc/36/41/14/462364114.db2.gz XECLMZMNDIFJHQ-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000658068416 462366597 /nfs/dbraw/zinc/36/65/97/462366597.db2.gz FCVSTSUTWVZWCV-HOTGVXAUSA-N 2 0 335.923 3.486 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000665283885 462384497 /nfs/dbraw/zinc/38/44/97/462384497.db2.gz WRVHQVQDNMFFEZ-NRSPTQNISA-N 2 0 344.499 3.427 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(O)c1 ZINC000658163715 462413684 /nfs/dbraw/zinc/41/36/84/462413684.db2.gz AEMZYTAYVJBFJC-MRXNPFEDSA-N 2 0 325.456 3.350 20 0 EGADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163912 462414526 /nfs/dbraw/zinc/41/45/26/462414526.db2.gz BXYRYLSHTIZQJA-UXHICEINSA-N 2 0 331.504 3.088 20 0 EGADRP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000652049896 462418110 /nfs/dbraw/zinc/41/81/10/462418110.db2.gz QDSGBGSBIWFLGW-LJQANCHMSA-N 2 0 343.515 3.149 20 0 EGADRP CC(C)C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000652149021 462451694 /nfs/dbraw/zinc/45/16/94/462451694.db2.gz OQQHWLYBZAPBJX-FXAWDEMLSA-N 2 0 335.511 3.386 20 0 EGADRP CC(C)([NH3+])CCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000649280950 462465479 /nfs/dbraw/zinc/46/54/79/462465479.db2.gz XOEYADJPQZXQCH-UHFFFAOYSA-N 2 0 339.483 3.002 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCCCCC1 ZINC000649280429 462465715 /nfs/dbraw/zinc/46/57/15/462465715.db2.gz RJNDUDUAXHYDHI-MRXNPFEDSA-N 2 0 337.895 3.111 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)C1CC[NH+](C)CC1 ZINC000658346515 462483935 /nfs/dbraw/zinc/48/39/35/462483935.db2.gz CEKUDCIMOVJMOO-UTKZUKDTSA-N 2 0 346.515 3.202 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000646105862 462518716 /nfs/dbraw/zinc/51/87/16/462518716.db2.gz KCRJWMXKRMEHRG-JXFKEZNVSA-N 2 0 337.467 3.053 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)Cc3ccccc3)CC2)C1 ZINC000130415609 533762830 /nfs/dbraw/zinc/76/28/30/533762830.db2.gz WFTXAZNICODSCC-JRGCBEDISA-N 2 0 330.516 3.223 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC[N@@H+]1C ZINC000180902494 533949568 /nfs/dbraw/zinc/94/95/68/533949568.db2.gz DVJKZGSXPZJJBE-IUODEOHRSA-N 2 0 334.851 3.005 20 0 EGADRP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155122452 527783246 /nfs/dbraw/zinc/78/32/46/527783246.db2.gz LWRORWQQGKOBRS-RBUKOAKNSA-N 2 0 347.547 3.398 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184228190 527839731 /nfs/dbraw/zinc/83/97/31/527839731.db2.gz VBKYKELRYZFIEX-UHFFFAOYSA-N 2 0 331.504 3.054 20 0 EGADRP CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155037284 528329291 /nfs/dbraw/zinc/32/92/91/528329291.db2.gz BGVYJJMKSYZQGY-SJORKVTESA-N 2 0 335.561 3.474 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000182326012 528465532 /nfs/dbraw/zinc/46/55/32/528465532.db2.gz HGEDDOCMLAOBBQ-VQTJNVASSA-N 2 0 333.495 3.065 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000132343883 529014416 /nfs/dbraw/zinc/01/44/16/529014416.db2.gz RLFBYKFRKAEFCJ-WMZOPIPTSA-N 2 0 329.488 3.355 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000191606538 529041100 /nfs/dbraw/zinc/04/11/00/529041100.db2.gz MHMNIBQKPBJCOD-IBGZPJMESA-N 2 0 331.548 3.358 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000187191963 529152412 /nfs/dbraw/zinc/15/24/12/529152412.db2.gz SBXRRGGRMJAEBJ-APWZRJJASA-N 2 0 335.923 3.155 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1cc(F)ccc1F ZINC000191608163 529161702 /nfs/dbraw/zinc/16/17/02/529161702.db2.gz WIRLJVQPESCVGB-LJQANCHMSA-N 2 0 339.474 3.422 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C)cc1 ZINC000177825920 529183660 /nfs/dbraw/zinc/18/36/60/529183660.db2.gz OJKRNLOTQNDTNM-HXUWFJFHSA-N 2 0 338.499 3.383 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1(C)C ZINC000342809073 535508183 /nfs/dbraw/zinc/50/81/83/535508183.db2.gz GTQPZRZRYHICCC-VQTJNVASSA-N 2 0 346.515 3.453 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000344856115 535593041 /nfs/dbraw/zinc/59/30/41/535593041.db2.gz YTAUMXCMSQEUKA-QUCCMNQESA-N 2 0 341.503 3.258 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)c1ccsc1 ZINC000262621240 535677165 /nfs/dbraw/zinc/67/71/65/535677165.db2.gz FBZZRNSFPQTREO-QZTJIDSGSA-N 2 0 345.512 3.256 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000363922347 536034455 /nfs/dbraw/zinc/03/44/55/536034455.db2.gz FCVFFKLSLKXZKM-MOPGFXCFSA-N 2 0 326.488 3.298 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000351419837 536353131 /nfs/dbraw/zinc/35/31/31/536353131.db2.gz RGCSKBCCCNOPIU-AZUAARDMSA-N 2 0 343.515 3.003 20 0 EGADRP C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)C1CC[NH+](C)CC1 ZINC000089669497 546646475 /nfs/dbraw/zinc/64/64/75/546646475.db2.gz NAAMIYXHTRWUNS-OAHLLOKOSA-N 2 0 344.528 3.458 20 0 EGADRP CCCO[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093316787 546683047 /nfs/dbraw/zinc/68/30/47/546683047.db2.gz DPMOHXXJOZSQMP-IBGZPJMESA-N 2 0 334.504 3.408 20 0 EGADRP CCN(CC)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000151731775 546859323 /nfs/dbraw/zinc/85/93/23/546859323.db2.gz LAXTXTTWHCUADT-WIYYLYMNSA-N 2 0 331.548 3.259 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000152428469 546869669 /nfs/dbraw/zinc/86/96/69/546869669.db2.gz WMEVDCKPOBRXMJ-GOSISDBHSA-N 2 0 330.516 3.363 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC000153155277 546877831 /nfs/dbraw/zinc/87/78/31/546877831.db2.gz PYSFVXDLFQAZPP-UHFFFAOYSA-N 2 0 334.504 3.445 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000155437042 546903178 /nfs/dbraw/zinc/90/31/78/546903178.db2.gz FTFAQTADSKCWOV-KKSFZXQISA-N 2 0 337.467 3.398 20 0 EGADRP CCC[NH+]1CCC(NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000162129246 546963012 /nfs/dbraw/zinc/96/30/12/546963012.db2.gz JFNWTHGKWJJQFP-UHFFFAOYSA-N 2 0 329.532 3.423 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000163080234 546971326 /nfs/dbraw/zinc/97/13/26/546971326.db2.gz UMROOEJBLXGVET-UHFFFAOYSA-N 2 0 331.291 3.264 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000222646714 547245139 /nfs/dbraw/zinc/24/51/39/547245139.db2.gz QLLPTHBRSGONLA-MRXNPFEDSA-N 2 0 337.467 3.101 20 0 EGADRP C[C@H]([NH2+]CC1(CO)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310119081 547461577 /nfs/dbraw/zinc/46/15/77/547461577.db2.gz HRKNMGGMVCGWFM-AZUAARDMSA-N 2 0 330.516 3.429 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000344207870 547609456 /nfs/dbraw/zinc/60/94/56/547609456.db2.gz HCIBDOYHCYCIOK-GOSISDBHSA-N 2 0 346.563 3.037 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000353933088 547699938 /nfs/dbraw/zinc/69/99/38/547699938.db2.gz UTZMHACJCWWBHB-FHERZECASA-N 2 0 349.485 3.359 20 0 EGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)nn1 ZINC000415120514 547863817 /nfs/dbraw/zinc/86/38/17/547863817.db2.gz GEABPZIKSMXLEH-OAQYLSRUSA-N 2 0 347.466 3.241 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474461622 547954458 /nfs/dbraw/zinc/95/44/58/547954458.db2.gz PUHHWBNDXANMQX-XNIRIUNOSA-N 2 0 349.485 3.359 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000671295970 548274631 /nfs/dbraw/zinc/27/46/31/548274631.db2.gz GERTVUGGIZWBQI-OAQYLSRUSA-N 2 0 330.516 3.407 20 0 EGADRP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000671715622 548341816 /nfs/dbraw/zinc/34/18/16/548341816.db2.gz OJFPQZNHYZYUJL-STOZHHMFSA-N 2 0 336.426 3.069 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740094 548349267 /nfs/dbraw/zinc/34/92/67/548349267.db2.gz FIMUQMPBYVVVQM-ZDUSSCGKSA-N 2 0 325.412 3.446 20 0 EGADRP Cc1occc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000675335840 548898088 /nfs/dbraw/zinc/89/80/88/548898088.db2.gz VUCXCOITXPUFSY-UHFFFAOYSA-N 2 0 327.472 3.408 20 0 EGADRP Fc1ccc2c(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000675635332 548947789 /nfs/dbraw/zinc/94/77/89/548947789.db2.gz FCTVOHIVDARDRG-HKUYNNGSSA-N 2 0 329.419 3.429 20 0 EGADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000675742816 548971798 /nfs/dbraw/zinc/97/17/98/548971798.db2.gz WSUXHJZFSIHONT-KRWDZBQOSA-N 2 0 325.447 3.032 20 0 EGADRP c1ccc([C@H](C[NH+]2CCCCC2)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677237094 549235039 /nfs/dbraw/zinc/23/50/39/549235039.db2.gz ASBJXIBTUOAEGD-ACRUOGEOSA-N 2 0 327.516 3.430 20 0 EGADRP CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678733355 549550650 /nfs/dbraw/zinc/55/06/50/549550650.db2.gz IRPXYNIQOUPBLL-QUCCMNQESA-N 2 0 332.488 3.066 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000679189266 549653099 /nfs/dbraw/zinc/65/30/99/549653099.db2.gz UMBPOUSVIZPVOZ-KRWDZBQOSA-N 2 0 339.483 3.193 20 0 EGADRP C[C@@H]([NH2+]Cc1cnc2ccccn12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679288026 549679942 /nfs/dbraw/zinc/67/99/42/549679942.db2.gz BOVMEVYUPHQKCF-IEBWSBKVSA-N 2 0 334.467 3.335 20 0 EGADRP C[N@H+](CCc1ccncc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680477382 549870245 /nfs/dbraw/zinc/87/02/45/549870245.db2.gz FDRDXRGLADBCJX-UHFFFAOYSA-N 2 0 339.483 3.231 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681138737 549959587 /nfs/dbraw/zinc/95/95/87/549959587.db2.gz YUNVRNIDLIYWBR-RXVVDRJESA-N 2 0 341.543 3.439 20 0 EGADRP Cc1ccc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000682787554 550144023 /nfs/dbraw/zinc/14/40/23/550144023.db2.gz AHNNFKHCTYOEKD-UHFFFAOYSA-N 2 0 339.483 3.497 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc2cnccc2c1 ZINC000683767734 550259504 /nfs/dbraw/zinc/25/95/04/550259504.db2.gz ONAMSMZFAPCEPS-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000684022135 550283107 /nfs/dbraw/zinc/28/31/07/550283107.db2.gz HCYFBZALEYSYPM-UHFFFAOYSA-N 2 0 340.515 3.158 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000684112537 550292416 /nfs/dbraw/zinc/29/24/16/550292416.db2.gz WBSRCGHMWDCBNV-MOPGFXCFSA-N 2 0 326.488 3.298 20 0 EGADRP C[N@H+](C/C=C\c1ccc(F)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457196 550418741 /nfs/dbraw/zinc/41/87/41/550418741.db2.gz JNXOVAASSYORHQ-LLHWWHOWSA-N 2 0 349.469 3.078 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457618 550418829 /nfs/dbraw/zinc/41/88/29/550418829.db2.gz HCAXZUUUIBWJNG-KNQAVFIVSA-N 2 0 343.559 3.356 20 0 EGADRP CCCc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457897 550418876 /nfs/dbraw/zinc/41/88/76/550418876.db2.gz RUOSROMXOWUJPJ-OAQYLSRUSA-N 2 0 329.532 3.239 20 0 EGADRP Cc1nc(C)c(Br)c(NC(C)(C)C[NH+]2CCCC2)n1 ZINC000308659757 574709996 /nfs/dbraw/zinc/70/99/96/574709996.db2.gz VBIWRPBXLWHADA-UHFFFAOYSA-N 2 0 327.270 3.142 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000729369214 574847232 /nfs/dbraw/zinc/84/72/32/574847232.db2.gz WSQNBHXXTFQERB-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000732268766 575250896 /nfs/dbraw/zinc/25/08/96/575250896.db2.gz LVJUYLZUMFAUIY-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCCCCCC1 ZINC000741693790 576711756 /nfs/dbraw/zinc/71/17/56/576711756.db2.gz UFLJKYMMKPFYDS-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000695193342 1298157029 /nfs/dbraw/zinc/15/70/29/1298157029.db2.gz QWAZOQYJGNQSKU-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000067452614 1292161177 /nfs/dbraw/zinc/16/11/77/1292161177.db2.gz GSARAGKDDQXRIW-OKILXGFUSA-N 2 0 328.859 3.458 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000079756540 1292575266 /nfs/dbraw/zinc/57/52/66/1292575266.db2.gz LESALHSQFPQNMP-LMDPOFIKSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000089553972 1292772424 /nfs/dbraw/zinc/77/24/24/1292772424.db2.gz YZAXJGMAIOIEMG-MLGOLLRUSA-N 2 0 330.394 3.059 20 0 EGADRP CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000089632412 1292773349 /nfs/dbraw/zinc/77/33/49/1292773349.db2.gz QAQYGBJAKCTHLD-QAPCUYQASA-N 2 0 345.487 3.196 20 0 EGADRP [NH3+][C@@H](CCC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000831088994 1292806427 /nfs/dbraw/zinc/80/64/27/1292806427.db2.gz QVZSOLPSNQCSLI-MHJFOBGBSA-N 2 0 343.515 3.380 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000105450932 1293037941 /nfs/dbraw/zinc/03/79/41/1293037941.db2.gz LAZXHASFDPONHA-UHFFFAOYSA-N 2 0 344.330 3.357 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000105459307 1293038519 /nfs/dbraw/zinc/03/85/19/1293038519.db2.gz VCNNFHDAYVKZDE-UHFFFAOYSA-N 2 0 332.879 3.266 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(SC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000105466460 1293040244 /nfs/dbraw/zinc/04/02/44/1293040244.db2.gz UIQKKAGJAFSNRS-CYBMUJFWSA-N 2 0 347.450 3.024 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000121809909 1293391103 /nfs/dbraw/zinc/39/11/03/1293391103.db2.gz REUSFDFYUYGFIG-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000154133978 1294042921 /nfs/dbraw/zinc/04/29/21/1294042921.db2.gz WAADCGCSDFFYAP-HXUWFJFHSA-N 2 0 345.531 3.078 20 0 EGADRP CCCCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156885843 1294162211 /nfs/dbraw/zinc/16/22/11/1294162211.db2.gz WOJDUQOQIISWJO-PXNSSMCTSA-N 2 0 345.531 3.442 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000160098183 1294257545 /nfs/dbraw/zinc/25/75/45/1294257545.db2.gz YTSBKJHMDRKKBC-MRXNPFEDSA-N 2 0 326.488 3.393 20 0 EGADRP CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160752784 1294277496 /nfs/dbraw/zinc/27/74/96/1294277496.db2.gz FRLPWWLUUYIPAN-IBGZPJMESA-N 2 0 337.552 3.271 20 0 EGADRP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000161265116 1294288558 /nfs/dbraw/zinc/28/85/58/1294288558.db2.gz QVDGFNQKEBCCOD-WBVHZDCISA-N 2 0 341.540 3.246 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cnn(C)c2)ccc1OC ZINC000182564646 1295059474 /nfs/dbraw/zinc/05/94/74/1295059474.db2.gz CDVQAWSWWPUATN-HNNXBMFYSA-N 2 0 330.476 3.121 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCN2C)ccc1OC ZINC000182611250 1295062338 /nfs/dbraw/zinc/06/23/38/1295062338.db2.gz TZIIMKSKZYQELE-VQIMIIECSA-N 2 0 333.520 3.282 20 0 EGADRP O=C1O[C@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC12CCC2 ZINC000192125721 1295735237 /nfs/dbraw/zinc/73/52/37/1295735237.db2.gz KQUKYTJIFHFVSR-SFHVURJKSA-N 2 0 334.504 3.060 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)c2cccs2)CC1 ZINC000870854206 1296113849 /nfs/dbraw/zinc/11/38/49/1296113849.db2.gz ONSUBSFTSXXXSF-ULQDDVLXSA-N 2 0 349.544 3.155 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000870903845 1296134324 /nfs/dbraw/zinc/13/43/24/1296134324.db2.gz GPQQKGJFEAPTMQ-MXVIHJGJSA-N 2 0 345.531 3.442 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)C(C)C ZINC000870974529 1296162762 /nfs/dbraw/zinc/16/27/62/1296162762.db2.gz LCNFIYYOCSWVRU-FNLKRUPLSA-N 2 0 343.515 3.177 20 0 EGADRP Brc1csc(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000236590330 1296192266 /nfs/dbraw/zinc/19/22/66/1296192266.db2.gz NLKVNGWLGMIHOX-UHFFFAOYSA-N 2 0 329.307 3.475 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cnc(C)s1 ZINC000236875089 1296209823 /nfs/dbraw/zinc/20/98/23/1296209823.db2.gz OPBJUQIGABGSER-UHFFFAOYSA-N 2 0 333.501 3.462 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000247956950 1296403249 /nfs/dbraw/zinc/40/32/49/1296403249.db2.gz DEAZWGCAEDOFJF-VQTJNVASSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248146758 1296406776 /nfs/dbraw/zinc/40/67/76/1296406776.db2.gz QGYFMUKGXBLUBK-ZGRYLRDCSA-N 2 0 339.524 3.142 20 0 EGADRP Fc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1-c1cccs1 ZINC000262111866 1296619570 /nfs/dbraw/zinc/61/95/70/1296619570.db2.gz KOLNAJOIEDFGGV-INIZCTEOSA-N 2 0 345.487 3.034 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262547970 1296638648 /nfs/dbraw/zinc/63/86/48/1296638648.db2.gz NPNRYXBXCIYSJI-YSGRDPCXSA-N 2 0 339.483 3.262 20 0 EGADRP CC1([NH+]2CCCCC2)CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000872146390 1296767651 /nfs/dbraw/zinc/76/76/51/1296767651.db2.gz MUODRASLYPQQKU-UHFFFAOYSA-N 2 0 327.516 3.173 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000304788365 1296943971 /nfs/dbraw/zinc/94/39/71/1296943971.db2.gz AYRPCAOFBWZMGK-IAGOWNOFSA-N 2 0 341.540 3.486 20 0 EGADRP CC(C)(C)[NH2+]CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000324816354 1297216208 /nfs/dbraw/zinc/21/62/08/1297216208.db2.gz WKHNHMAHTLEUPA-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2n2cncn2)CC1 ZINC000340257511 1297310430 /nfs/dbraw/zinc/31/04/30/1297310430.db2.gz KIKWBRMRSBPFRS-RLLQIKCJSA-N 2 0 347.551 3.356 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340469824 1297313509 /nfs/dbraw/zinc/31/35/09/1297313509.db2.gz MJDBFTWWXJWSCK-QRQLOZEOSA-N 2 0 333.524 3.252 20 0 EGADRP Fc1ccccc1[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873204920 1297349905 /nfs/dbraw/zinc/34/99/05/1297349905.db2.gz LEIOPXDESGFKGT-KRWDZBQOSA-N 2 0 332.444 3.106 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204380 1297350386 /nfs/dbraw/zinc/35/03/86/1297350386.db2.gz COWYCMOWRYFRGI-DLBZAZTESA-N 2 0 347.572 3.480 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000873204854 1297350527 /nfs/dbraw/zinc/35/05/27/1297350527.db2.gz HVZUCSYDKGWGLI-KRWDZBQOSA-N 3 0 347.572 3.338 20 0 EGADRP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H](O)c1ccc(C)cc1 ZINC000873208435 1297352489 /nfs/dbraw/zinc/35/24/89/1297352489.db2.gz WEBBMEPXNGNZAD-GOSISDBHSA-N 2 0 330.497 3.258 20 0 EGADRP C[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)c2cc(F)ccc2C[NH2+]1 ZINC000873210365 1297356436 /nfs/dbraw/zinc/35/64/36/1297356436.db2.gz DAQGJCJWMYECOX-GFCCVEGCSA-N 2 0 331.460 3.031 20 0 EGADRP COC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(Br)c1 ZINC000873224129 1297364103 /nfs/dbraw/zinc/36/41/03/1297364103.db2.gz XGGFMMRPXXIHQC-ZENOOKHLSA-N 2 0 341.293 3.114 20 0 EGADRP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000873241708 1297382901 /nfs/dbraw/zinc/38/29/01/1297382901.db2.gz ILVLHYXIKSTZIY-YPAWHYETSA-N 3 0 341.543 3.266 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000873250406 1297390692 /nfs/dbraw/zinc/39/06/92/1297390692.db2.gz HGPWONCVTXESNZ-XJNFMUPTSA-N 2 0 336.451 3.162 20 0 EGADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254409 1297391889 /nfs/dbraw/zinc/39/18/89/1297391889.db2.gz SLTBSSYBOPFRGK-IMJJTQAJSA-N 2 0 325.294 3.487 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873260814 1297394266 /nfs/dbraw/zinc/39/42/66/1297394266.db2.gz IFGAQXQVTWLQLL-ZVMONYEMSA-N 2 0 332.463 3.414 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000873259614 1297395302 /nfs/dbraw/zinc/39/53/02/1297395302.db2.gz HZMDDHKXLCLLNF-LUYZLQTOSA-N 2 0 327.472 3.098 20 0 EGADRP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(Br)c1 ZINC000873274028 1297404903 /nfs/dbraw/zinc/40/49/03/1297404903.db2.gz QTEASTUCGNLEQU-WFASDCNBSA-N 2 0 329.282 3.244 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291599 1297414453 /nfs/dbraw/zinc/41/44/53/1297414453.db2.gz LIPIANVBOGSWJJ-PMACEKPBSA-N 2 0 330.516 3.392 20 0 EGADRP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293802 1297415911 /nfs/dbraw/zinc/41/59/11/1297415911.db2.gz PJIGQSXBAIUINE-NKELODKYSA-N 2 0 336.520 3.005 20 0 EGADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000382945693 1297566313 /nfs/dbraw/zinc/56/63/13/1297566313.db2.gz RTOYYLUAFOTHHO-HXUWFJFHSA-N 3 0 329.532 3.363 20 0 EGADRP CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323608 1297729608 /nfs/dbraw/zinc/72/96/08/1297729608.db2.gz AQMAABTYBHMQFX-HZPDHXFCSA-N 2 0 341.540 3.340 20 0 EGADRP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cc2C1 ZINC000404757315 1297758752 /nfs/dbraw/zinc/75/87/52/1297758752.db2.gz GENKDBCJAWEWPP-IAGOWNOFSA-N 2 0 345.487 3.153 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000687673297 1298120112 /nfs/dbraw/zinc/12/01/12/1298120112.db2.gz UHQGXXZBDRXTIE-JCNLHEQBSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000693912852 1298152515 /nfs/dbraw/zinc/15/25/15/1298152515.db2.gz SHKFZBPIECOPHD-CZUORRHYSA-N 2 0 325.294 3.454 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000715558558 1298280229 /nfs/dbraw/zinc/28/02/29/1298280229.db2.gz PNUBQYVREVJXRW-CVEARBPZSA-N 2 0 341.540 3.484 20 0 EGADRP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000746707779 1298645548 /nfs/dbraw/zinc/64/55/48/1298645548.db2.gz NZMJMNICXNXWJZ-HXUWFJFHSA-N 2 0 338.495 3.476 20 0 EGADRP CCOC(=O)N1CCC(C)(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)CC1 ZINC000876760046 1298966479 /nfs/dbraw/zinc/96/64/79/1298966479.db2.gz RUCVAWYFIVZARD-DLBZAZTESA-N 2 0 339.524 3.050 20 0 EGADRP CSC(C)(C)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000876791899 1298989213 /nfs/dbraw/zinc/98/92/13/1298989213.db2.gz JRYJXEKGLQFXDE-UHFFFAOYSA-N 2 0 327.582 3.009 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000876887300 1299049379 /nfs/dbraw/zinc/04/93/79/1299049379.db2.gz RAOYDLNICWDIIN-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877154474 1299185918 /nfs/dbraw/zinc/18/59/18/1299185918.db2.gz RCAHQSQCYGPSOX-LMNJBCLMSA-N 2 0 327.516 3.428 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CCCCC1 ZINC000877450368 1299309338 /nfs/dbraw/zinc/30/93/38/1299309338.db2.gz GESNBTBIEXGOAP-PKOBYXMFSA-N 2 0 349.563 3.432 20 0 EGADRP COc1ncc(Br)cc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000877568403 1299404344 /nfs/dbraw/zinc/40/43/44/1299404344.db2.gz NDPDGOSELYHNBN-UHFFFAOYSA-N 2 0 344.297 3.063 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCN(c3ccccc3)C1)CC2 ZINC000877683413 1299476688 /nfs/dbraw/zinc/47/66/88/1299476688.db2.gz AQBCADILUTVVOQ-LJQANCHMSA-N 2 0 327.516 3.321 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000751069970 1299506784 /nfs/dbraw/zinc/50/67/84/1299506784.db2.gz LQJYEDWORDTUNE-FCWGVCEXSA-N 2 0 335.536 3.161 20 0 EGADRP CN(C)c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccn1 ZINC000754070647 1300075812 /nfs/dbraw/zinc/07/58/12/1300075812.db2.gz KRQNPZKCBGMBKD-UHFFFAOYSA-N 2 0 330.520 3.236 20 0 EGADRP C=C/C=C/CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878607798 1300104169 /nfs/dbraw/zinc/10/41/69/1300104169.db2.gz ZATIIOLBNZGACK-SHTLVRLNSA-N 2 0 325.500 3.011 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000755919389 1300417317 /nfs/dbraw/zinc/41/73/17/1300417317.db2.gz HXIKYOJVIKNCOW-INIZCTEOSA-N 2 0 325.456 3.412 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)CC2 ZINC000879251272 1300453981 /nfs/dbraw/zinc/45/39/81/1300453981.db2.gz RZMWYTOQTFNWMJ-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000879250163 1300453997 /nfs/dbraw/zinc/45/39/97/1300453997.db2.gz OKKWWZAYAUSBOY-KRWDZBQOSA-N 2 0 340.870 3.320 20 0 EGADRP FC[C@@H]1CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@@H](CF)C3)c2)C1 ZINC000880238082 1300998636 /nfs/dbraw/zinc/99/86/36/1300998636.db2.gz NVNCKMVXJRVUBU-IRXDYDNUSA-N 2 0 337.458 3.445 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000882504270 1301995244 /nfs/dbraw/zinc/99/52/44/1301995244.db2.gz QAEREKHWZLYWCI-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000765872080 1302342955 /nfs/dbraw/zinc/34/29/55/1302342955.db2.gz UPEDCDHGCMGOFV-LRDDRELGSA-N 2 0 343.284 3.451 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000883387853 1302426327 /nfs/dbraw/zinc/42/63/27/1302426327.db2.gz GMXLNZKLJKZDNA-NVXWUHKLSA-N 2 0 329.444 3.334 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)c1 ZINC000884014553 1302697871 /nfs/dbraw/zinc/69/78/71/1302697871.db2.gz PPDQRKUHUIKYRG-GOSISDBHSA-N 2 0 337.423 3.051 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000884185848 1302766386 /nfs/dbraw/zinc/76/63/86/1302766386.db2.gz JQCNJEUAPBMBSD-LJQANCHMSA-N 2 0 345.531 3.085 20 0 EGADRP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(OC)c1 ZINC000768169594 1302841396 /nfs/dbraw/zinc/84/13/96/1302841396.db2.gz WDXCKIWUYCSKEM-UHFFFAOYSA-N 2 0 328.456 3.397 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CC(C(F)F)C3)cc2)C[C@H](C)O1 ZINC000768676601 1302958533 /nfs/dbraw/zinc/95/85/33/1302958533.db2.gz PRJHUHMGTMESSQ-DIOPXHOYSA-N 2 0 338.442 3.429 20 0 EGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000886422609 1303462242 /nfs/dbraw/zinc/46/22/42/1303462242.db2.gz UGHCPXOCJDXVOG-OAQYLSRUSA-N 2 0 331.548 3.259 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000886606955 1303521327 /nfs/dbraw/zinc/52/13/27/1303521327.db2.gz IWFKUKNCZJRGJC-QRVBRYPASA-N 2 0 344.499 3.218 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000773072302 1303619216 /nfs/dbraw/zinc/61/92/16/1303619216.db2.gz WLOCRMNGSZRZJX-PCCBWWKXSA-N 2 0 328.500 3.340 20 0 EGADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000773142371 1303633229 /nfs/dbraw/zinc/63/32/29/1303633229.db2.gz YGJBJKDSRSTSCR-LJQANCHMSA-N 2 0 325.456 3.108 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000774300856 1303795858 /nfs/dbraw/zinc/79/58/58/1303795858.db2.gz FFFJXEKLCQFSSN-YQQQUEKLSA-N 2 0 331.504 3.444 20 0 EGADRP C[NH+](C)CCOc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000774326925 1303798347 /nfs/dbraw/zinc/79/83/47/1303798347.db2.gz JLTZKOZHDMOEHJ-MQVJKMGUSA-N 2 0 337.895 3.318 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)ccc1OC ZINC000775369810 1303948792 /nfs/dbraw/zinc/94/87/92/1303948792.db2.gz RFUKFNGODNXBCM-IAGOWNOFSA-N 2 0 344.503 3.473 20 0 EGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc2ccccc2[nH]1 ZINC000775622281 1303996625 /nfs/dbraw/zinc/99/66/25/1303996625.db2.gz SVPCLRRDCLSLGI-MRXNPFEDSA-N 2 0 349.482 3.166 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC ZINC000776167066 1304104545 /nfs/dbraw/zinc/10/45/45/1304104545.db2.gz JRAXXAWGVJNETB-QGZVFWFLSA-N 3 0 345.531 3.450 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(N[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000777584466 1304321494 /nfs/dbraw/zinc/32/14/94/1304321494.db2.gz YZZRXNIKRSALMJ-LMMKCTJWSA-N 2 0 331.504 3.302 20 0 EGADRP C[C@@H]1C[C@@H](Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC[N@@H+]1C ZINC000777649002 1304329957 /nfs/dbraw/zinc/32/99/57/1304329957.db2.gz BIQZDOFRSAWQFN-HIFRSBDPSA-N 2 0 325.884 3.175 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C[C@](C)(C4CCCC4)CC3=O)C2)CC1 ZINC000780438540 1304691566 /nfs/dbraw/zinc/69/15/66/1304691566.db2.gz PBKAOKODOKORKK-WIYYLYMNSA-N 2 0 347.547 3.036 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC4CCC4)[C@@H]3C2)cc1 ZINC000781420794 1304825259 /nfs/dbraw/zinc/82/52/59/1304825259.db2.gz FFGLESAUTFIVRE-TYPHKJRUSA-N 2 0 328.500 3.446 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)cc1C[NH+]1CCCCC1 ZINC000783537177 1305105662 /nfs/dbraw/zinc/10/56/62/1305105662.db2.gz VRTKPHUHLDAPQK-IKGGRYGDSA-N 2 0 334.504 3.491 20 0 EGADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C2CC2)n1 ZINC000891610569 1305109985 /nfs/dbraw/zinc/10/99/85/1305109985.db2.gz AXZBOVPOEFLWTD-UHFFFAOYSA-N 2 0 330.520 3.386 20 0 EGADRP CCOC(=O)c1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000892583796 1305453615 /nfs/dbraw/zinc/45/36/15/1305453615.db2.gz FJLGEHQASXQIAE-CQSZACIVSA-N 2 0 339.505 3.064 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)C1 ZINC000892598988 1305460984 /nfs/dbraw/zinc/46/09/84/1305460984.db2.gz FOZNGPSNTAYQTC-LYNMMZOZSA-N 2 0 348.556 3.165 20 0 EGADRP Cc1cc(F)ncc1C[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000892677018 1305501562 /nfs/dbraw/zinc/50/15/62/1305501562.db2.gz SNIUAOBJDLKHTE-INIZCTEOSA-N 2 0 343.446 3.040 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000893086386 1305698418 /nfs/dbraw/zinc/69/84/18/1305698418.db2.gz OZMWZJZVMPCZHN-MEDUHNTESA-N 2 0 331.287 3.347 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788241257 1305903763 /nfs/dbraw/zinc/90/37/63/1305903763.db2.gz AELANMHHADUUCH-HOTGVXAUSA-N 2 0 341.540 3.390 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788241259 1305904673 /nfs/dbraw/zinc/90/46/73/1305904673.db2.gz AELANMHHADUUCH-JKSUJKDBSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000788497921 1305956295 /nfs/dbraw/zinc/95/62/95/1305956295.db2.gz LCBHWGGGXKOJLH-HZPDHXFCSA-N 2 0 341.540 3.199 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788497513 1305956559 /nfs/dbraw/zinc/95/65/59/1305956559.db2.gz JDNNUNPIPILHHB-IAGOWNOFSA-N 2 0 341.540 3.344 20 0 EGADRP CCOc1ccc([C@H](O)C2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC000894564507 1308956157 /nfs/dbraw/zinc/95/61/57/1308956157.db2.gz DGOLOHLBLWEDDZ-NRFANRHFSA-N 2 0 346.515 3.173 20 0 EGADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894943720 1309131471 /nfs/dbraw/zinc/13/14/71/1309131471.db2.gz GQEXYVJBDVMQDT-TZUVLKIQSA-N 2 0 329.463 3.463 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)CC1 ZINC000895341624 1309290458 /nfs/dbraw/zinc/29/04/58/1309290458.db2.gz LBGUHDSYBUCCGW-IBGZPJMESA-N 2 0 336.907 3.363 20 0 EGADRP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895377173 1309305761 /nfs/dbraw/zinc/30/57/61/1309305761.db2.gz KJCOIYZMWNUYOK-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895693870 1309470132 /nfs/dbraw/zinc/47/01/32/1309470132.db2.gz NXNKDKUUYAHJFN-OXJNMPFZSA-N 2 0 338.499 3.155 20 0 EGADRP COc1ccc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000895765093 1309509895 /nfs/dbraw/zinc/50/98/95/1309509895.db2.gz MQQXSMSADUMDDO-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CN(CC[N@H+](C)[C@@H]1CCc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000795971357 1309873108 /nfs/dbraw/zinc/87/31/08/1309873108.db2.gz KMZDXCAYKBTYPT-LJQANCHMSA-N 2 0 335.923 3.285 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000897006829 1310132350 /nfs/dbraw/zinc/13/23/50/1310132350.db2.gz UUYPYGGNOBZTQR-PKOBYXMFSA-N 2 0 349.563 3.362 20 0 EGADRP CN(CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C)C(=O)OC(C)(C)C ZINC000797965747 1310276960 /nfs/dbraw/zinc/27/69/60/1310276960.db2.gz TUYRJWPMIPATMI-INIZCTEOSA-N 2 0 327.513 3.050 20 0 EGADRP C([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798088149 1310293886 /nfs/dbraw/zinc/29/38/86/1310293886.db2.gz HZJHEMWTKCXJFC-LJQANCHMSA-N 2 0 336.520 3.306 20 0 EGADRP c1ccc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4ccccn4)C3)C2)nc1 ZINC000799189892 1310501414 /nfs/dbraw/zinc/50/14/14/1310501414.db2.gz IGTMSURAIPAPRV-KDURUIRLSA-N 2 0 336.483 3.146 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cnn(CC2CCC2)c1 ZINC000898181189 1310617301 /nfs/dbraw/zinc/61/73/01/1310617301.db2.gz BXLLPEAGUJFSJA-INIZCTEOSA-N 2 0 339.487 3.398 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000800473609 1310764875 /nfs/dbraw/zinc/76/48/75/1310764875.db2.gz BMRMKXDWZIQXOR-UXHICEINSA-N 2 0 328.500 3.447 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000839180454 1320887156 /nfs/dbraw/zinc/88/71/56/1320887156.db2.gz DEWUZVSQJUQNBI-IAGOWNOFSA-N 2 0 329.488 3.196 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000839480082 1320927532 /nfs/dbraw/zinc/92/75/32/1320927532.db2.gz OZYOJDXGTHRQSF-HXUWFJFHSA-N 2 0 344.499 3.257 20 0 EGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857281351 1328525908 /nfs/dbraw/zinc/52/59/08/1328525908.db2.gz YFWPRTBNGPDWAT-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019151284 1317072592 /nfs/dbraw/zinc/07/25/92/1317072592.db2.gz RQMBKPXKJOASLU-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001019231050 1317114243 /nfs/dbraw/zinc/11/42/43/1317114243.db2.gz IVCLMXKWRHBLRP-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001019230071 1317114820 /nfs/dbraw/zinc/11/48/20/1317114820.db2.gz OUQQMJPXLORHMP-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000957286784 1317261850 /nfs/dbraw/zinc/26/18/50/1317261850.db2.gz FTRROSDSTQWCOL-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001019774727 1317413460 /nfs/dbraw/zinc/41/34/60/1317413460.db2.gz FWUMGVNKCUAKCA-PXNSSMCTSA-N 2 0 343.515 3.157 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000858167569 1328701890 /nfs/dbraw/zinc/70/18/90/1328701890.db2.gz VALGMKRWEKNFOL-DOTOQJQBSA-N 2 0 344.503 3.130 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957603710 1317492521 /nfs/dbraw/zinc/49/25/21/1317492521.db2.gz VPVABFFEWKRIHC-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001020029175 1317508543 /nfs/dbraw/zinc/50/85/43/1317508543.db2.gz XARNKPGMIKZGGV-HUYLIWGRSA-N 2 0 343.515 3.202 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2NC)[C@@H](C)C1 ZINC000902245360 1317552337 /nfs/dbraw/zinc/55/23/37/1317552337.db2.gz QCKBUKBHOVHULV-HKUYNNGSSA-N 2 0 333.520 3.263 20 0 EGADRP CC[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000957689377 1317557674 /nfs/dbraw/zinc/55/76/74/1317557674.db2.gz BAQSIZTVPPBCBS-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000957690937 1317558048 /nfs/dbraw/zinc/55/80/48/1317558048.db2.gz VLVRDJFNXMHMKI-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000902372081 1317569638 /nfs/dbraw/zinc/56/96/38/1317569638.db2.gz QVIMHGMHMZVXQP-LSDHHAIUSA-N 2 0 330.394 3.107 20 0 EGADRP CSc1ccc(Br)cc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000902431759 1317578055 /nfs/dbraw/zinc/57/80/55/1317578055.db2.gz ULJIDAYCXMJPLW-GHMZBOCLSA-N 2 0 331.323 3.429 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000902437499 1317579138 /nfs/dbraw/zinc/57/91/38/1317579138.db2.gz JOKYXKCCEHPLPQ-JCXROGDPSA-N 2 0 335.495 3.254 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000957720549 1317588907 /nfs/dbraw/zinc/58/89/07/1317588907.db2.gz RCIKLWIBYGCQGQ-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020208147 1317595438 /nfs/dbraw/zinc/59/54/38/1317595438.db2.gz ZBVBXGFSBRNQJA-QAQDUYKDSA-N 2 0 347.528 3.161 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020238775 1317603844 /nfs/dbraw/zinc/60/38/44/1317603844.db2.gz CATVNTDSSXTVLP-UFYCRDLUSA-N 2 0 349.563 3.457 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](CC)CC2=CCCCC2)CC1)[NH+](C)C ZINC000957753614 1317621455 /nfs/dbraw/zinc/62/14/55/1317621455.db2.gz YNMIJZAMFRSFIH-FQEVSTJZSA-N 2 0 349.563 3.388 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000957753523 1317622645 /nfs/dbraw/zinc/62/26/45/1317622645.db2.gz UGNSLXFNYNMWMG-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001020289266 1317628064 /nfs/dbraw/zinc/62/80/64/1317628064.db2.gz WHQPUYDHQBUYCI-MUGJNUQGSA-N 2 0 345.531 3.131 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000957771979 1317636321 /nfs/dbraw/zinc/63/63/21/1317636321.db2.gz YQRPKJUMFJQNMM-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC[C@]1(C)CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000808169433 1317637591 /nfs/dbraw/zinc/63/75/91/1317637591.db2.gz AHCUXGBNFRQAAH-HXUWFJFHSA-N 2 0 335.536 3.181 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000957786358 1317643968 /nfs/dbraw/zinc/64/39/68/1317643968.db2.gz MQKXSGGXJZSIJP-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[NH+](CC2CCCCCC2)CC1)[NH+]1CCCC1 ZINC000957782657 1317645081 /nfs/dbraw/zinc/64/50/81/1317645081.db2.gz OBKQRZNMIGYHCZ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc2c(c1)OCO2 ZINC000903083684 1317648667 /nfs/dbraw/zinc/64/86/67/1317648667.db2.gz LRLQCNAAXSOTFM-ZNXRZULTSA-N 2 0 342.483 3.440 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903104912 1317653666 /nfs/dbraw/zinc/65/36/66/1317653666.db2.gz YTZZGLZWNZKTAK-HNNXBMFYSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)C2 ZINC000903116313 1317655870 /nfs/dbraw/zinc/65/58/70/1317655870.db2.gz GSZJTFFBZMZZRV-MCBQPRCJSA-N 2 0 342.527 3.306 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000903118315 1317656968 /nfs/dbraw/zinc/65/69/68/1317656968.db2.gz XGBYOEONVFRPSM-SHQCPXRQSA-N 2 0 346.515 3.216 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020355276 1317657342 /nfs/dbraw/zinc/65/73/42/1317657342.db2.gz VQLOUEXJNFHWFS-IYARVYRRSA-N 2 0 348.450 3.002 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000903129622 1317660031 /nfs/dbraw/zinc/66/00/31/1317660031.db2.gz ZMRAMAQBTVIWEE-IVDHNXQLSA-N 2 0 342.483 3.113 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c(C)c1 ZINC001020396066 1317678487 /nfs/dbraw/zinc/67/84/87/1317678487.db2.gz DGUMCOSBECZYIO-WGSAOQKQSA-N 2 0 348.450 3.002 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001020396472 1317678640 /nfs/dbraw/zinc/67/86/40/1317678640.db2.gz VXUQJSSZGBLSTR-IYARVYRRSA-N 2 0 340.471 3.155 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000903258332 1317680945 /nfs/dbraw/zinc/68/09/45/1317680945.db2.gz AJDKBPJLRNGDFE-UWVAXJGDSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2nonc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000903322693 1317687312 /nfs/dbraw/zinc/68/73/12/1317687312.db2.gz AMXUEEPFKIKJFW-CQSZACIVSA-N 2 0 340.427 3.014 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000903396190 1317696117 /nfs/dbraw/zinc/69/61/17/1317696117.db2.gz KJTVVJGJPMLSDN-XMSQKQJNSA-N 2 0 338.495 3.222 20 0 EGADRP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000903404814 1317696546 /nfs/dbraw/zinc/69/65/46/1317696546.db2.gz ADPGABBSYGSIGF-DOIPELPJSA-N 2 0 328.500 3.180 20 0 EGADRP c1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903728999 1317725817 /nfs/dbraw/zinc/72/58/17/1317725817.db2.gz JBABEAHVMYFHPQ-VQTJNVASSA-N 2 0 328.500 3.100 20 0 EGADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727963 1317726439 /nfs/dbraw/zinc/72/64/39/1317726439.db2.gz ZZPICNGQUUYJLO-JENIJYKNSA-N 2 0 334.891 3.116 20 0 EGADRP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734611 1317727511 /nfs/dbraw/zinc/72/75/11/1317727511.db2.gz SVMTVDZMSMPETP-AYOQOUSVSA-N 2 0 332.463 3.367 20 0 EGADRP c1c2c(oc1-c1ccccc1)C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903734673 1317727712 /nfs/dbraw/zinc/72/77/12/1317727712.db2.gz UUQBDCFGUHSIBP-NQIIRXRSSA-N 2 0 338.451 3.073 20 0 EGADRP CC(C)c1csc([C@@H]2CCC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739684 1317728935 /nfs/dbraw/zinc/72/89/35/1317728935.db2.gz NXXUTDDKRAIXRF-MDZRGWNJSA-N 2 0 349.544 3.215 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2noc3c2COCC3)CC1 ZINC000929843509 1328718253 /nfs/dbraw/zinc/71/82/53/1328718253.db2.gz XYATUIYOLLBLJI-MRXNPFEDSA-N 2 0 347.503 3.224 20 0 EGADRP CC1(C)C[C@H](c2ccccc2)C[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788726 1317733750 /nfs/dbraw/zinc/73/37/50/1317733750.db2.gz PEXKRZBRYUMBCH-RBUKOAKNSA-N 2 0 328.500 3.413 20 0 EGADRP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[NH2+]CCC34CCOCC4)C2)cc1 ZINC000903818793 1317737606 /nfs/dbraw/zinc/73/76/06/1317737606.db2.gz VPFDVWYLKDQCLV-UYAOXDASSA-N 2 0 328.500 3.415 20 0 EGADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000903848856 1317739462 /nfs/dbraw/zinc/73/94/62/1317739462.db2.gz UHKPEOMIBNZIAI-TUAOUCFPSA-N 2 0 342.270 3.134 20 0 EGADRP Cc1ccc(C)c(C2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903875622 1317740324 /nfs/dbraw/zinc/74/03/24/1317740324.db2.gz RXNZOOSNWYDQNW-FPOVZHCZSA-N 2 0 328.500 3.251 20 0 EGADRP C[C@H]1Cc2ccccc2N1C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903939531 1317752269 /nfs/dbraw/zinc/75/22/69/1317752269.db2.gz ILZHFCYRNDABKW-KOQQBVACSA-N 2 0 339.527 3.433 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)c1ccccc1Cl ZINC001020586723 1317790775 /nfs/dbraw/zinc/79/07/75/1317790775.db2.gz XFDWZCNGBFLXON-FZKCQIBNSA-N 2 0 349.906 3.122 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@]1(C)CCC[NH2+]C1 ZINC000904312585 1317829151 /nfs/dbraw/zinc/82/91/51/1317829151.db2.gz KMHWXQZFPLQAKU-HXUWFJFHSA-N 2 0 344.478 3.470 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1OCC(F)(F)F ZINC000904405497 1317843711 /nfs/dbraw/zinc/84/37/11/1317843711.db2.gz MCOVQKZAAMJQBW-ZDUSSCGKSA-N 2 0 346.393 3.197 20 0 EGADRP Cc1cccn2c(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)cnc12 ZINC000904459430 1317850183 /nfs/dbraw/zinc/85/01/83/1317850183.db2.gz RYJLPCGMUSRONY-UHFFFAOYSA-N 2 0 334.467 3.135 20 0 EGADRP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474829 1317852176 /nfs/dbraw/zinc/85/21/76/1317852176.db2.gz LIRNKJYTNOSPNR-AZUAARDMSA-N 2 0 326.415 3.480 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001020675968 1317852294 /nfs/dbraw/zinc/85/22/94/1317852294.db2.gz MSTURLSVGCOOGA-PIKOESSRSA-N 2 0 343.515 3.249 20 0 EGADRP Cc1ccc(F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475715 1317852802 /nfs/dbraw/zinc/85/28/02/1317852802.db2.gz QBQPHRXSAZTKNO-UYAOXDASSA-N 2 0 326.415 3.480 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001020679308 1317857344 /nfs/dbraw/zinc/85/73/44/1317857344.db2.gz MHWZEYGWWFBXFU-HNBVOPMISA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccc(Cl)cc1 ZINC000904651933 1317876023 /nfs/dbraw/zinc/87/60/23/1317876023.db2.gz KLBREVIBEKOAHL-KRWDZBQOSA-N 2 0 346.862 3.223 20 0 EGADRP Cn1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C(C)(C)C)n1 ZINC000809738781 1317884006 /nfs/dbraw/zinc/88/40/06/1317884006.db2.gz JLXMXOQXNMXJRE-UHFFFAOYSA-N 2 0 328.504 3.411 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)c2cc(C[NH3+])ccn2)cc1 ZINC000906226517 1318057486 /nfs/dbraw/zinc/05/74/86/1318057486.db2.gz CFNXOAURLQBDJB-UHFFFAOYSA-N 2 0 340.471 3.049 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001021049586 1318059773 /nfs/dbraw/zinc/05/97/73/1318059773.db2.gz QQBPTJGRGVVWAS-HUYLIWGRSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC000960181310 1318398103 /nfs/dbraw/zinc/39/81/03/1318398103.db2.gz DZFBEKHTVJZUOF-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960275505 1318438930 /nfs/dbraw/zinc/43/89/30/1318438930.db2.gz MBMPJHIZSUORLB-WOJBJXKFSA-N 2 0 348.450 3.038 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021703939 1318576234 /nfs/dbraw/zinc/57/62/34/1318576234.db2.gz CXAGATXGOBSYAH-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[C@H]1CN(c2cc[nH+]c(CO)c2)CC[N@@H+]1Cc1ccccc1 ZINC000858469520 1328770732 /nfs/dbraw/zinc/77/07/32/1328770732.db2.gz VRRBLCPMEKWEDL-FQEVSTJZSA-N 2 0 325.456 3.065 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960679222 1318789843 /nfs/dbraw/zinc/78/98/43/1318789843.db2.gz CERVBQSGGQCNTK-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657835 1318794956 /nfs/dbraw/zinc/79/49/56/1318794956.db2.gz SXHFEQZIQPRATP-RDJZCZTQSA-N 2 0 331.460 3.168 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)c(C)c1)[NH+](C)C ZINC000960714069 1318823204 /nfs/dbraw/zinc/82/32/04/1318823204.db2.gz XIUABOYTRXUSHG-VQTJNVASSA-N 2 0 345.531 3.066 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022163843 1318825938 /nfs/dbraw/zinc/82/59/38/1318825938.db2.gz AQYPZTCXNVGLOD-CEXWTWQISA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960720488 1318830031 /nfs/dbraw/zinc/83/00/31/1318830031.db2.gz UTWKRCOLXUFBBC-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)CC1CCCCC1 ZINC000960785753 1318886539 /nfs/dbraw/zinc/88/65/39/1318886539.db2.gz IQOHYEPNMIXYNC-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960785723 1318887388 /nfs/dbraw/zinc/88/73/88/1318887388.db2.gz IBEDTMHFKZGYQC-KRWDZBQOSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001022362575 1318905678 /nfs/dbraw/zinc/90/56/78/1318905678.db2.gz BAZPRUPJFZZBLX-HCXYKTFWSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001022493077 1318962855 /nfs/dbraw/zinc/96/28/55/1318962855.db2.gz MQQJOAHNYYWGHY-HSALFYBXSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000960843267 1318977508 /nfs/dbraw/zinc/97/75/08/1318977508.db2.gz JBQUQSZYESGFNR-WOJBJXKFSA-N 2 0 345.531 3.004 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022585001 1319004290 /nfs/dbraw/zinc/00/42/90/1319004290.db2.gz INIGPMLZFXHTQZ-AQNXPRMDSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)C1 ZINC001022585237 1319004375 /nfs/dbraw/zinc/00/43/75/1319004375.db2.gz LTMDEBDBYJMMSJ-OJAHFUOMSA-N 2 0 343.515 3.106 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)c(C)c1)[NH+](C)C ZINC000960871450 1319015989 /nfs/dbraw/zinc/01/59/89/1319015989.db2.gz XIUABOYTRXUSHG-PMACEKPBSA-N 2 0 345.531 3.066 20 0 EGADRP CCc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)c1 ZINC000960885688 1319022158 /nfs/dbraw/zinc/02/21/58/1319022158.db2.gz VGIOSLQPXOGGKU-UXHICEINSA-N 2 0 345.531 3.012 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)n1ccnc1 ZINC000960905020 1319047267 /nfs/dbraw/zinc/04/72/67/1319047267.db2.gz UUJNNUMVEAMIHE-AEFFLSMTSA-N 2 0 346.519 3.193 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC000960979141 1319113281 /nfs/dbraw/zinc/11/32/81/1319113281.db2.gz OURBHIPKHRNFQT-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001022806849 1319119169 /nfs/dbraw/zinc/11/91/69/1319119169.db2.gz BUWHBXQIYCCUMO-YSIASYRMSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022807677 1319119321 /nfs/dbraw/zinc/11/93/21/1319119321.db2.gz KKWUIJAMYGBVSJ-OTWHNJEPSA-N 2 0 335.536 3.066 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000961031737 1319155648 /nfs/dbraw/zinc/15/56/48/1319155648.db2.gz OFDVQZJBDFGWML-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031587 1319156417 /nfs/dbraw/zinc/15/64/17/1319156417.db2.gz ZQKPPQASLTYAID-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000961034590 1319159602 /nfs/dbraw/zinc/15/96/02/1319159602.db2.gz NWXLCIRQWAEDKJ-UYAOXDASSA-N 2 0 343.515 3.075 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189312 1319303445 /nfs/dbraw/zinc/30/34/45/1319303445.db2.gz ZCEFJLPCGMVZTK-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)c2cc1C ZINC000817880479 1319450801 /nfs/dbraw/zinc/45/08/01/1319450801.db2.gz VYQCGQZFMHDFFG-ZOBUZTSGSA-N 2 0 328.456 3.215 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817893001 1319453809 /nfs/dbraw/zinc/45/38/09/1319453809.db2.gz BFOPTUSXYZGXMO-MTQWCTHYSA-N 2 0 332.488 3.018 20 0 EGADRP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000817917095 1319459778 /nfs/dbraw/zinc/45/97/78/1319459778.db2.gz KPGGYODWZBMHCE-MTQWCTHYSA-N 2 0 328.500 3.401 20 0 EGADRP O=C1OCCN1c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000817922122 1319462324 /nfs/dbraw/zinc/46/23/24/1319462324.db2.gz QRRYPSMANKXNRW-CEXWTWQISA-N 2 0 343.471 3.044 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c(C)c1OC ZINC000817949524 1319473321 /nfs/dbraw/zinc/47/33/21/1319473321.db2.gz RYBBBGQLMXPGNS-HNNXBMFYSA-N 2 0 328.456 3.364 20 0 EGADRP COc1ccc([C@H](C)NC[C@H]2CCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817951587 1319474842 /nfs/dbraw/zinc/47/48/42/1319474842.db2.gz GVOAAHWCYVWTIB-QFBILLFUSA-N 2 0 331.504 3.084 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961343986 1319498243 /nfs/dbraw/zinc/49/82/43/1319498243.db2.gz YXTNWVYIAUBZQR-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961343987 1319498746 /nfs/dbraw/zinc/49/87/46/1319498746.db2.gz YXTNWVYIAUBZQR-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961434748 1319588427 /nfs/dbraw/zinc/58/84/27/1319588427.db2.gz HHDUWFGXFNXVNB-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000818959910 1319590055 /nfs/dbraw/zinc/59/00/55/1319590055.db2.gz VSCVIXJSIRTBLW-KDOFPFPSSA-N 2 0 326.431 3.100 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818962581 1319593875 /nfs/dbraw/zinc/59/38/75/1319593875.db2.gz TVQSXLPGVJRKDE-FQEVSTJZSA-N 2 0 330.447 3.489 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000818968630 1319594570 /nfs/dbraw/zinc/59/45/70/1319594570.db2.gz DAMJRDOGDACTAK-WMLDXEAASA-N 2 0 344.421 3.450 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000818967356 1319595464 /nfs/dbraw/zinc/59/54/64/1319595464.db2.gz UFDMMCNQYWSGFC-BBRMVZONSA-N 2 0 330.394 3.060 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000818984334 1319606031 /nfs/dbraw/zinc/60/60/31/1319606031.db2.gz DYGNQCNOOUXBTQ-SFHVURJKSA-N 2 0 348.874 3.104 20 0 EGADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000819137386 1319645109 /nfs/dbraw/zinc/64/51/09/1319645109.db2.gz CAGBWJVNLFGTHJ-SOAGJPPSSA-N 2 0 334.479 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819151819 1319649519 /nfs/dbraw/zinc/64/95/19/1319649519.db2.gz FLWDBOSZSLJTEE-PBHICJAKSA-N 2 0 344.421 3.306 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000819182154 1319659072 /nfs/dbraw/zinc/65/90/72/1319659072.db2.gz JIMCTHOHQCCGGW-RDTXWAMCSA-N 2 0 342.886 3.470 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001023554979 1319665980 /nfs/dbraw/zinc/66/59/80/1319665980.db2.gz SECJGYFCPDDRTI-SXLOBPIMSA-N 2 0 349.563 3.125 20 0 EGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819353306 1319707937 /nfs/dbraw/zinc/70/79/37/1319707937.db2.gz BBUJVPZJAKHPOH-QGZVFWFLSA-N 2 0 342.405 3.345 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646103 1319766401 /nfs/dbraw/zinc/76/64/01/1319766401.db2.gz HZRFYIPVHWHZLA-LJQANCHMSA-N 2 0 345.531 3.236 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001023696822 1319822670 /nfs/dbraw/zinc/82/26/70/1319822670.db2.gz XIFRSPBGEMGZAX-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001023696824 1319823634 /nfs/dbraw/zinc/82/36/34/1319823634.db2.gz XIFRSPBGEMGZAX-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC)C1 ZINC001023696984 1319824025 /nfs/dbraw/zinc/82/40/25/1319824025.db2.gz ZSDZRGREVJVZQG-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000962308504 1319909848 /nfs/dbraw/zinc/90/98/48/1319909848.db2.gz GKQSIWATPCIMCC-IVMQYODDSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820808978 1319957359 /nfs/dbraw/zinc/95/73/59/1319957359.db2.gz QYNVLMVYRUAMKA-QGZVFWFLSA-N 2 0 339.483 3.105 20 0 EGADRP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820814115 1319958528 /nfs/dbraw/zinc/95/85/28/1319958528.db2.gz FSYBMTOXGWQVLT-SRWPAKMTSA-N 2 0 332.463 3.385 20 0 EGADRP C[C@H]1CC[NH2+][C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000822766529 1320121931 /nfs/dbraw/zinc/12/19/31/1320121931.db2.gz SPBNESOFCKJLTL-WMLDXEAASA-N 2 0 326.444 3.393 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(C[C@@H]4CC[NH2+]C4)n3)cc2)CC1 ZINC000822918944 1320136732 /nfs/dbraw/zinc/13/67/32/1320136732.db2.gz FCTFYTDKBDQJHV-KRWDZBQOSA-N 2 0 340.471 3.121 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000859155672 1328933581 /nfs/dbraw/zinc/93/35/81/1328933581.db2.gz ODAJWYZMPTTXAE-WBVHZDCISA-N 2 0 339.524 3.048 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1F ZINC000841032411 1321204219 /nfs/dbraw/zinc/20/42/19/1321204219.db2.gz BTLWBYMBIYHLHU-OAHLLOKOSA-N 2 0 330.447 3.304 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(F)c(Br)c2)cc1 ZINC000841036062 1321206224 /nfs/dbraw/zinc/20/62/24/1321206224.db2.gz NXEFLWXTXQENBE-UHFFFAOYSA-N 2 0 337.236 3.379 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841072658 1321213561 /nfs/dbraw/zinc/21/35/61/1321213561.db2.gz MDOJAPXBAXIJGN-HNNXBMFYSA-N 2 0 332.879 3.456 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)oc21 ZINC000841104868 1321218750 /nfs/dbraw/zinc/21/87/50/1321218750.db2.gz VTSGAHGTUFSJBZ-APWZRJJASA-N 2 0 344.455 3.160 20 0 EGADRP O[C@@H](C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1ccsc1 ZINC000842473115 1321393325 /nfs/dbraw/zinc/39/33/25/1321393325.db2.gz POEDLDJCQPUKIV-APWZRJJASA-N 2 0 330.497 3.283 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000842478671 1321393875 /nfs/dbraw/zinc/39/38/75/1321393875.db2.gz MCMLKLYXIPCJPV-UHFFFAOYSA-N 2 0 330.451 3.279 20 0 EGADRP CCC[N@H+](Cc1ccc(OC(=O)CC)c(OCC)c1)C1CC[NH2+]CC1 ZINC000843044608 1321460444 /nfs/dbraw/zinc/46/04/44/1321460444.db2.gz LQAFAYAWUGDUBZ-UHFFFAOYSA-N 2 0 348.487 3.365 20 0 EGADRP CCOc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1OC(=O)CC ZINC000843129543 1321474100 /nfs/dbraw/zinc/47/41/00/1321474100.db2.gz VTCYKARRGXRWLA-UHFFFAOYSA-N 2 0 342.439 3.149 20 0 EGADRP CC[C@]1([NH2+]CC[Si](C)(C)CC[NH2+][C@@]2(CC)CCOC2)CCOC1 ZINC000859276074 1328959190 /nfs/dbraw/zinc/95/91/90/1328959190.db2.gz GGWMYGTVPCKFMV-ROUUACIJSA-N 2 0 342.600 3.012 20 0 EGADRP CC(C)[C@H]([NH3+])c1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000843152142 1321479757 /nfs/dbraw/zinc/47/97/57/1321479757.db2.gz QJHLXWYTKGDFAK-HOCLYGCPSA-N 2 0 332.423 3.244 20 0 EGADRP c1cc(-c2noc([C@H]3CC34CC[NH2+]CC4)n2)ccc1C[NH+]1CCCC1 ZINC000843173631 1321481735 /nfs/dbraw/zinc/48/17/35/1321481735.db2.gz PZJBZSXHOIQYBC-QGZVFWFLSA-N 2 0 338.455 3.190 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000843342282 1321501941 /nfs/dbraw/zinc/50/19/41/1321501941.db2.gz LNJBJRJWYLFQEW-PDUOOLKUSA-N 2 0 329.271 3.005 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1c(Cl)cccc1Cl ZINC000843339981 1321501945 /nfs/dbraw/zinc/50/19/45/1321501945.db2.gz GLSWJYCIOKDWBC-FUTJPDQTSA-N 2 0 329.271 3.005 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000843342277 1321502115 /nfs/dbraw/zinc/50/21/15/1321502115.db2.gz LNJBJRJWYLFQEW-GDJRKYJOSA-N 2 0 329.271 3.005 20 0 EGADRP [NH3+][C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000844189599 1321577440 /nfs/dbraw/zinc/57/74/40/1321577440.db2.gz QWAPCCXFSPWVCB-ABHNRTSZSA-N 2 0 349.906 3.253 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000844322019 1321589579 /nfs/dbraw/zinc/58/95/79/1321589579.db2.gz XQRLQHIGWAICSS-QGZVFWFLSA-N 2 0 341.540 3.488 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000844926565 1321659600 /nfs/dbraw/zinc/65/96/00/1321659600.db2.gz WJICXTIHEIHKGA-OAHLLOKOSA-N 2 0 331.460 3.074 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cc(=O)oc2c1 ZINC000846226432 1321778023 /nfs/dbraw/zinc/77/80/23/1321778023.db2.gz NASNLVGFJKBLMH-RDTXWAMCSA-N 2 0 328.456 3.305 20 0 EGADRP C[C@H]1C[C@@H](CCNC(=[NH2+])NC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989173 1322056900 /nfs/dbraw/zinc/05/69/00/1322056900.db2.gz CSLRHPFBGAQMNW-FUHWJXTLSA-N 2 0 328.504 3.344 20 0 EGADRP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000849071965 1322066669 /nfs/dbraw/zinc/06/66/69/1322066669.db2.gz VZQAXDHRLGCVAX-LBPRGKRZSA-N 2 0 344.381 3.396 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000849097276 1322076926 /nfs/dbraw/zinc/07/69/26/1322076926.db2.gz LLLDYEZYWFARBE-LSTHTHJFSA-N 2 0 336.483 3.294 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2ccco2)cc1F ZINC000849111073 1322082204 /nfs/dbraw/zinc/08/22/04/1322082204.db2.gz USNPLWWVFJQQFZ-INIZCTEOSA-N 2 0 344.434 3.184 20 0 EGADRP C[N@H+](CCCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000849116862 1322085315 /nfs/dbraw/zinc/08/53/15/1322085315.db2.gz ZCGDVBXTSSFJFI-UHFFFAOYSA-N 2 0 344.381 3.396 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000921696146 1322379950 /nfs/dbraw/zinc/37/99/50/1322379950.db2.gz GHWKHOMYQRZAOK-UYAOXDASSA-N 2 0 348.556 3.407 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC000922388032 1322515882 /nfs/dbraw/zinc/51/58/82/1322515882.db2.gz NQFWOTWGGNBOJK-JYBIWHBTSA-N 2 0 328.456 3.002 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000922846676 1322631898 /nfs/dbraw/zinc/63/18/98/1322631898.db2.gz FOGGVYCORQWXET-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP O[C@H](CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363799 1322740556 /nfs/dbraw/zinc/74/05/56/1322740556.db2.gz FVCNVHLGNSBIGW-OAUYIBNBSA-N 2 0 343.298 3.491 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000923479702 1322759770 /nfs/dbraw/zinc/75/97/70/1322759770.db2.gz BKCKLEYCYZHTKS-CQSZACIVSA-N 2 0 330.863 3.276 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000923489671 1322760390 /nfs/dbraw/zinc/76/03/90/1322760390.db2.gz GCBJGDBREJCXRC-INIZCTEOSA-N 2 0 339.439 3.088 20 0 EGADRP Cc1nc2ccccn2c1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508509 1322765098 /nfs/dbraw/zinc/76/50/98/1322765098.db2.gz WHPKLPUBCPHMBO-KRWDZBQOSA-N 2 0 326.488 3.244 20 0 EGADRP O[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000923508397 1322765144 /nfs/dbraw/zinc/76/51/44/1322765144.db2.gz VBKZZIMUDOBGTG-KUHUBIRLSA-N 2 0 338.442 3.100 20 0 EGADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccc(OC)cc1 ZINC000924566726 1323056949 /nfs/dbraw/zinc/05/69/49/1323056949.db2.gz GSSWQKMWFVAKDJ-DLZDZTESSA-N 2 0 332.488 3.378 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024010162 1323078729 /nfs/dbraw/zinc/07/87/29/1323078729.db2.gz HPVKETFSYIABES-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001024017974 1323081104 /nfs/dbraw/zinc/08/11/04/1323081104.db2.gz ZHFLJMYZQBSDDZ-ZWKOTPCHSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024024071 1323081587 /nfs/dbraw/zinc/08/15/87/1323081587.db2.gz SLFGCQIYAMZZPH-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC1(C)OC[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000851799110 1323089975 /nfs/dbraw/zinc/08/99/75/1323089975.db2.gz PHIZLZYQQLQMBG-CTNGQTDRSA-N 2 0 344.499 3.126 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000924679574 1323109978 /nfs/dbraw/zinc/10/99/78/1323109978.db2.gz LDDIOLGRHLADKP-HLIPFELVSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(Br)CC1 ZINC000924704877 1323123023 /nfs/dbraw/zinc/12/30/23/1323123023.db2.gz UXGPATCYVSRYTB-ZDUSSCGKSA-N 2 0 341.293 3.033 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CCCO)cc1 ZINC000924704339 1323123075 /nfs/dbraw/zinc/12/30/75/1323123075.db2.gz MYUZHQQTJHEISL-AZUAARDMSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924716301 1323129475 /nfs/dbraw/zinc/12/94/75/1323129475.db2.gz DWFLUFRFJMDFJB-KRWDZBQOSA-N 2 0 339.483 3.057 20 0 EGADRP C[C@@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000924719742 1323131936 /nfs/dbraw/zinc/13/19/36/1323131936.db2.gz ADSXHLGBAHPCKJ-GTPINHCMSA-N 2 0 339.524 3.001 20 0 EGADRP Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924739758 1323141675 /nfs/dbraw/zinc/14/16/75/1323141675.db2.gz YSTSSLMZVYJDLI-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924779499 1323159142 /nfs/dbraw/zinc/15/91/42/1323159142.db2.gz QMBDFPLPLBGHSU-FXAWDEMLSA-N 2 0 342.483 3.147 20 0 EGADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ncccc1Cl ZINC000925023704 1323247875 /nfs/dbraw/zinc/24/78/75/1323247875.db2.gz PGLIVTRVLOYBQQ-NVXWUHKLSA-N 2 0 339.911 3.403 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000853092717 1323278113 /nfs/dbraw/zinc/27/81/13/1323278113.db2.gz JKPXPKWIGRKBNI-QGZVFWFLSA-N 2 0 332.488 3.224 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024437336 1323397634 /nfs/dbraw/zinc/39/76/34/1323397634.db2.gz QQTSXTWBQBENBM-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024467780 1323423596 /nfs/dbraw/zinc/42/35/96/1323423596.db2.gz HCFJENDUWLBYGG-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024469249 1323424797 /nfs/dbraw/zinc/42/47/97/1323424797.db2.gz QVIHLPFXJWOCJZ-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749826 1323653800 /nfs/dbraw/zinc/65/38/00/1323653800.db2.gz HGRNNZZKHZLNRL-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814892 1323717420 /nfs/dbraw/zinc/71/74/20/1323717420.db2.gz YACKTOZYDCTZOX-QZTJIDSGSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001024963064 1323803313 /nfs/dbraw/zinc/80/33/13/1323803313.db2.gz GXDWTNJMVSQPRL-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001025002868 1323821272 /nfs/dbraw/zinc/82/12/72/1323821272.db2.gz LDROPXSJCACHJY-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025004753 1323823250 /nfs/dbraw/zinc/82/32/50/1323823250.db2.gz AZURWDOGSWCWJH-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)[NH+]1CCCC1 ZINC001025038455 1323842001 /nfs/dbraw/zinc/84/20/01/1323842001.db2.gz XPVSNKYEGQHZPU-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1)[NH+](C)C ZINC001025087411 1323885730 /nfs/dbraw/zinc/88/57/30/1323885730.db2.gz CDICPQRYZRZEFN-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025084571 1323886052 /nfs/dbraw/zinc/88/60/52/1323886052.db2.gz DJAMMRSQWWNUHY-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000931481270 1329128223 /nfs/dbraw/zinc/12/82/23/1329128223.db2.gz FZGXWKRYCXRLMW-UHFFFAOYSA-N 2 0 330.497 3.304 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247419 1324047468 /nfs/dbraw/zinc/04/74/68/1324047468.db2.gz KUMQADQOASHNEK-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025248097 1324048161 /nfs/dbraw/zinc/04/81/61/1324048161.db2.gz VJZMMESZEPDZPL-RBUKOAKNSA-N 2 0 347.547 3.260 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266435 1324077936 /nfs/dbraw/zinc/07/79/36/1324077936.db2.gz JREHCXOLBZEGPA-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001025525415 1324371472 /nfs/dbraw/zinc/37/14/72/1324371472.db2.gz NYJXYVKACLLQLC-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559957 1324408029 /nfs/dbraw/zinc/40/80/29/1324408029.db2.gz YGYIKSDPDIZRRW-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025629066 1324480096 /nfs/dbraw/zinc/48/00/96/1324480096.db2.gz ZPSMSEBBOIMJBP-XLIONFOSSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025629065 1324480176 /nfs/dbraw/zinc/48/01/76/1324480176.db2.gz ZPSMSEBBOIMJBP-PXNSSMCTSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001026496963 1324847296 /nfs/dbraw/zinc/84/72/96/1324847296.db2.gz DGMHXMYRRPMFEK-GHBBCFCZSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC001026547691 1324885682 /nfs/dbraw/zinc/88/56/82/1324885682.db2.gz WLARWOCJZZBWMC-HDYDNRTBSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026561129 1324896214 /nfs/dbraw/zinc/89/62/14/1324896214.db2.gz PDYJOWIYNZPGFL-IVMQYODDSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH2+]CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001026571908 1324904735 /nfs/dbraw/zinc/90/47/35/1324904735.db2.gz SNTRKNVVHBJJKX-KKXNLOMOSA-N 2 0 349.563 3.458 20 0 EGADRP CC1CC[NH+](CC(=O)NC2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC001026582424 1324910731 /nfs/dbraw/zinc/91/07/31/1324910731.db2.gz DSKBWLCKXJWYEW-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1Cl ZINC000853131657 1325054179 /nfs/dbraw/zinc/05/41/79/1325054179.db2.gz KVENHRKIJMPBJN-GOSISDBHSA-N 2 0 340.870 3.224 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026874891 1325059306 /nfs/dbraw/zinc/05/93/06/1325059306.db2.gz BPWDIELRMPGWEG-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccn2cc(CC[NH2+]C3CC[NH+](CCC(C)C)CC3)nc12 ZINC000925202715 1325079659 /nfs/dbraw/zinc/07/96/59/1325079659.db2.gz XDJRPNTWKFWVIL-UHFFFAOYSA-N 2 0 328.504 3.285 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000925231525 1325088599 /nfs/dbraw/zinc/08/85/99/1325088599.db2.gz FHXSMWMQEDMXCT-NHCUHLMSSA-N 2 0 346.563 3.479 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCCNC(=O)c2cccc(F)c2)CC1 ZINC000925385247 1325137149 /nfs/dbraw/zinc/13/71/49/1325137149.db2.gz MMBWRHOEGSYNSR-UHFFFAOYSA-N 2 0 349.494 3.046 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1 ZINC000925472146 1325164845 /nfs/dbraw/zinc/16/48/45/1325164845.db2.gz BSYMMJICMBNLBP-HXUWFJFHSA-N 2 0 339.483 3.093 20 0 EGADRP COc1cccc(N2CC[C@@H]([NH2+][C@@H](CCC[NH3+])c3ccccc3)C2)c1 ZINC000925480628 1325168666 /nfs/dbraw/zinc/16/86/66/1325168666.db2.gz WBGJJHLLHANZTC-NQIIRXRSSA-N 2 0 339.483 3.344 20 0 EGADRP CN(C(=O)c1sccc1C[NH+](C)C)C1CCC([NH2+]CC2CC2)CC1 ZINC000963370776 1325175661 /nfs/dbraw/zinc/17/56/61/1325175661.db2.gz BZRRLQAUHADFOG-UHFFFAOYSA-N 2 0 349.544 3.193 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCCN(Cc3c(F)cccc3F)C1)[NH2+]2 ZINC000925565871 1325213290 /nfs/dbraw/zinc/21/32/90/1325213290.db2.gz ASHWQBROJFOPPF-PULXTJHUSA-N 2 0 349.469 3.048 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963418164 1325225606 /nfs/dbraw/zinc/22/56/06/1325225606.db2.gz RBSDEVXDKGTROY-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963418161 1325225985 /nfs/dbraw/zinc/22/59/85/1325225985.db2.gz RBSDEVXDKGTROY-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426458 1325234175 /nfs/dbraw/zinc/23/41/75/1325234175.db2.gz AXDHYZPRSBZACP-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(N2CCCCC2=O)cc1 ZINC000925677274 1325258917 /nfs/dbraw/zinc/25/89/17/1325258917.db2.gz RYHIKWLSJKPXAN-BMGDILEWSA-N 2 0 327.472 3.124 20 0 EGADRP CC(=O)N(C)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925721053 1325269462 /nfs/dbraw/zinc/26/94/62/1325269462.db2.gz XKNLNPVNBZCTEG-HXUWFJFHSA-N 2 0 325.456 3.239 20 0 EGADRP C[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000854676196 1325292745 /nfs/dbraw/zinc/29/27/45/1325292745.db2.gz GDAVVIGPNOAAMO-FGTMMUONSA-N 2 0 349.563 3.361 20 0 EGADRP C[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000854676197 1325293016 /nfs/dbraw/zinc/29/30/16/1325293016.db2.gz GDAVVIGPNOAAMO-KSZLIROESA-N 2 0 349.563 3.361 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(C)c1OC ZINC000925876785 1325339520 /nfs/dbraw/zinc/33/95/20/1325339520.db2.gz IGKMACPXVKPVQS-QZTJIDSGSA-N 2 0 332.488 3.270 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CCCC1 ZINC000926170662 1325456949 /nfs/dbraw/zinc/45/69/49/1325456949.db2.gz MBSUGFNQHALBIZ-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000926382010 1325534997 /nfs/dbraw/zinc/53/49/97/1325534997.db2.gz GHUQBFJXMLALIN-NRFANRHFSA-N 2 0 347.547 3.398 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000926436769 1325553231 /nfs/dbraw/zinc/55/32/31/1325553231.db2.gz MLEYXRIJHGRIML-KQLYMOGASA-N 2 0 343.515 3.046 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926553726 1327613112 /nfs/dbraw/zinc/61/31/12/1327613112.db2.gz AILDOCMKRLPPRJ-IPELMVKDSA-N 2 0 342.487 3.053 20 0 EGADRP Cc1cccc2c1[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000926679116 1327663285 /nfs/dbraw/zinc/66/32/85/1327663285.db2.gz WVQCJRXIRWBTEC-FQEVSTJZSA-N 2 0 328.500 3.463 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027432778 1327672600 /nfs/dbraw/zinc/67/26/00/1327672600.db2.gz KLCFFHRRJMPSPF-MSOLQXFVSA-N 2 0 349.544 3.045 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027470256 1327724372 /nfs/dbraw/zinc/72/43/72/1327724372.db2.gz OGBNUYLBUPKOJI-IBGZPJMESA-N 2 0 349.563 3.362 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926876682 1327751403 /nfs/dbraw/zinc/75/14/03/1327751403.db2.gz BUNNXIMWYPDFHY-UHFFFAOYSA-N 2 0 346.441 3.310 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518988 1327790793 /nfs/dbraw/zinc/79/07/93/1327790793.db2.gz CJWLFBHORAOAFM-KRWDZBQOSA-N 2 0 349.544 3.045 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519567 1327791465 /nfs/dbraw/zinc/79/14/65/1327791465.db2.gz QGIQNHHNZWVQJN-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542940 1327846762 /nfs/dbraw/zinc/84/67/62/1327846762.db2.gz VOXRKOSXCWALAU-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001027682559 1328080047 /nfs/dbraw/zinc/08/00/47/1328080047.db2.gz RDZGIAGVLQZMMQ-UYAOXDASSA-N 2 0 343.515 3.075 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027879696 1328346201 /nfs/dbraw/zinc/34/62/01/1328346201.db2.gz WTKXPAFJXKPOJN-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cs1 ZINC001027879486 1328346234 /nfs/dbraw/zinc/34/62/34/1328346234.db2.gz SVHPVWZGGMUMLX-MSOLQXFVSA-N 2 0 349.544 3.010 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027919221 1328397028 /nfs/dbraw/zinc/39/70/28/1328397028.db2.gz UKMFKXYLYJXTQG-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027918261 1328397656 /nfs/dbraw/zinc/39/76/56/1328397656.db2.gz LNNYTUDOQVPVSU-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001027982534 1328456113 /nfs/dbraw/zinc/45/61/13/1328456113.db2.gz SNWPRGYUDMCNCH-INIZCTEOSA-N 2 0 342.487 3.273 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCCC1CCC1)c1ccc2c[nH+]cn2c1 ZINC001028028656 1328490588 /nfs/dbraw/zinc/49/05/88/1328490588.db2.gz CWBFHZMESIQPDV-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccnc1Br ZINC000865397248 1329691582 /nfs/dbraw/zinc/69/15/82/1329691582.db2.gz BEBWCPHOVQDEJW-CYBMUJFWSA-N 2 0 328.298 3.444 20 0 EGADRP Cc1nn(C)cc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717538 1329732114 /nfs/dbraw/zinc/73/21/14/1329732114.db2.gz DFFJVYMQEOJGSM-UHFFFAOYSA-N 2 0 326.488 3.120 20 0 EGADRP Cc1nc([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)no1 ZINC000931936318 1329772913 /nfs/dbraw/zinc/77/29/13/1329772913.db2.gz XMTRODPYCODIFY-IBGZPJMESA-N 2 0 340.471 3.353 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932043721 1329781819 /nfs/dbraw/zinc/78/18/19/1329781819.db2.gz QZXDJTMFAVOXLH-IBGZPJMESA-N 2 0 344.499 3.305 20 0 EGADRP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)CC1(C)OCCO1 ZINC000866426024 1330110441 /nfs/dbraw/zinc/11/04/41/1330110441.db2.gz QQWQZXYIHWNREO-LMMKCTJWSA-N 2 0 338.536 3.408 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000866467811 1330116168 /nfs/dbraw/zinc/11/61/68/1330116168.db2.gz QWJHFTHTVJUKCQ-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940864366 1331226179 /nfs/dbraw/zinc/22/61/79/1331226179.db2.gz KZRNQLPTGJFDRA-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102346 1331831289 /nfs/dbraw/zinc/83/12/89/1331831289.db2.gz XQJMYHOYLHFTGQ-GOEBONIOSA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942206318 1331879031 /nfs/dbraw/zinc/87/90/31/1331879031.db2.gz XVAQKDLVRAHBOT-BEFAXECRSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556168 1331971432 /nfs/dbraw/zinc/97/14/32/1331971432.db2.gz WKDZFOBQSPDVIH-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028266 1332480783 /nfs/dbraw/zinc/48/07/83/1332480783.db2.gz GVWRDZNQIBRZMO-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808693 1332905622 /nfs/dbraw/zinc/90/56/22/1332905622.db2.gz RLRZMJYPWXXSSY-ZCNNSNEGSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947473609 1333142507 /nfs/dbraw/zinc/14/25/07/1333142507.db2.gz NWIBKZXTAKEVFV-GDBMZVCRSA-N 2 0 328.460 3.026 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CC1CCCC1 ZINC000947506045 1333149593 /nfs/dbraw/zinc/14/95/93/1333149593.db2.gz JEMCWYLQCXCCFQ-QAPCUYQASA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC000947615726 1333194302 /nfs/dbraw/zinc/19/43/02/1333194302.db2.gz KPBSAJOVWJULNH-IRXDYDNUSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000947775674 1333257776 /nfs/dbraw/zinc/25/77/76/1333257776.db2.gz PFJGMIUGZBCYRT-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C/C=C/Cl ZINC000948055432 1333357300 /nfs/dbraw/zinc/35/73/00/1333357300.db2.gz BXJPLWVREQONQB-QYNAMDDNSA-N 2 0 349.906 3.083 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948243661 1333438994 /nfs/dbraw/zinc/43/89/94/1333438994.db2.gz BSLGBTZJWAWNKD-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948416672 1333516561 /nfs/dbraw/zinc/51/65/61/1333516561.db2.gz MALDUUGQYWSZKQ-RBUKOAKNSA-N 2 0 335.536 3.140 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000948589390 1333587041 /nfs/dbraw/zinc/58/70/41/1333587041.db2.gz APRRTWBDCQEWAN-SEJWUHKESA-N 2 0 346.862 3.013 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673645 1333623276 /nfs/dbraw/zinc/62/32/76/1333623276.db2.gz FFKNZSXUJKQFKQ-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948743564 1333655530 /nfs/dbraw/zinc/65/55/30/1333655530.db2.gz XVWKYHIOGRFYGK-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948828963 1333701352 /nfs/dbraw/zinc/70/13/52/1333701352.db2.gz ALDWKLAYLRZKIS-MOPGFXCFSA-N 2 0 337.552 3.364 20 0 EGADRP CC(C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000948936524 1333740336 /nfs/dbraw/zinc/74/03/36/1333740336.db2.gz SKXSPEGMPQSGNE-FQEVSTJZSA-N 2 0 348.450 3.072 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000949042944 1333769821 /nfs/dbraw/zinc/76/98/21/1333769821.db2.gz PYDSCDJDUGOMBI-SOAGJPPSSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000950708055 1334119666 /nfs/dbraw/zinc/11/96/66/1334119666.db2.gz JWEMIZQSQKUJTQ-IBGZPJMESA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206254 1335676957 /nfs/dbraw/zinc/67/69/57/1335676957.db2.gz NGVXQFHZXJDZSV-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCC1 ZINC000968673250 1336005119 /nfs/dbraw/zinc/00/51/19/1336005119.db2.gz TVGFCJJNMREIAE-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3cc(Br)ccc3n2)CC1 ZINC001205117858 1370655751 /nfs/dbraw/zinc/65/57/51/1370655751.db2.gz XCBCDOXTVPTBQK-CQSZACIVSA-N 2 0 334.261 3.311 20 0 EGADRP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858928 1336070799 /nfs/dbraw/zinc/07/07/99/1336070799.db2.gz JZWOTPGHEJAQNG-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968882853 1336079228 /nfs/dbraw/zinc/07/92/28/1336079228.db2.gz VQMLTOIWWVTAQN-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000969059673 1336132743 /nfs/dbraw/zinc/13/27/43/1336132743.db2.gz QJQIGOPJWPKOIH-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000969156140 1336165296 /nfs/dbraw/zinc/16/52/96/1336165296.db2.gz KTNFNTFQOMIELW-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000969674371 1336236001 /nfs/dbraw/zinc/23/60/01/1336236001.db2.gz JRIGSECWZHVAKF-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969969664 1336267917 /nfs/dbraw/zinc/26/79/17/1336267917.db2.gz PDQLICWRNLDSET-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325842 1336294529 /nfs/dbraw/zinc/29/45/29/1336294529.db2.gz KHLQKOHPWMPEPM-VQIMIIECSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC000970325456 1336294801 /nfs/dbraw/zinc/29/48/01/1336294801.db2.gz GBWLDHRALCJAEG-SCTDSRPQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005580490 1336375134 /nfs/dbraw/zinc/37/51/34/1336375134.db2.gz HCGOZTFJQRRFON-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005999674 1336436092 /nfs/dbraw/zinc/43/60/92/1336436092.db2.gz DBEULEDGOHIVOP-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006276281 1336480372 /nfs/dbraw/zinc/48/03/72/1336480372.db2.gz BOCCATNAHGKABP-IBGZPJMESA-N 2 0 337.552 3.364 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001006292496 1336484662 /nfs/dbraw/zinc/48/46/62/1336484662.db2.gz QPBGVGKDIMNIHS-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001006413978 1336501750 /nfs/dbraw/zinc/50/17/50/1336501750.db2.gz VLIKQZLKDNGUEQ-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053490 1336759653 /nfs/dbraw/zinc/75/96/53/1336759653.db2.gz USQFUVSVGZJFGC-MJGOQNOKSA-N 2 0 345.531 3.031 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001008277659 1336812449 /nfs/dbraw/zinc/81/24/49/1336812449.db2.gz UMCXPIQZUYKUDL-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001008277663 1336812859 /nfs/dbraw/zinc/81/28/59/1336812859.db2.gz UMCXPIQZUYKUDL-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001008298535 1336818046 /nfs/dbraw/zinc/81/80/46/1336818046.db2.gz ITPRJBULZKAWRJ-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001008763211 1336922453 /nfs/dbraw/zinc/92/24/53/1336922453.db2.gz XWVPCJSSZARWIJ-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001009171675 1336981252 /nfs/dbraw/zinc/98/12/52/1336981252.db2.gz WXMAFAHQRRMJMF-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001014505185 1337801309 /nfs/dbraw/zinc/80/13/09/1337801309.db2.gz AFUSXKMHGTXEKJ-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724632 1337885525 /nfs/dbraw/zinc/88/55/25/1337885525.db2.gz WDBOXNRBUCMUAN-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001014724862 1337885605 /nfs/dbraw/zinc/88/56/05/1337885605.db2.gz XRFQRZULCHWNBL-QZTJIDSGSA-N 2 0 349.544 3.010 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501532 1338160596 /nfs/dbraw/zinc/16/05/96/1338160596.db2.gz BFELZAGTWKGCCM-OALUTQOASA-N 2 0 343.515 3.203 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001015704568 1338270047 /nfs/dbraw/zinc/27/00/47/1338270047.db2.gz CZBXFBZGZBUYGC-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001015976387 1338388444 /nfs/dbraw/zinc/38/84/44/1338388444.db2.gz MLTATMCHKIHIGJ-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251390 1338524633 /nfs/dbraw/zinc/52/46/33/1338524633.db2.gz LJUULKVKBFFTQB-QZTJIDSGSA-N 2 0 349.906 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001016339378 1338556074 /nfs/dbraw/zinc/55/60/74/1338556074.db2.gz PTIBSEOHJJPXAL-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623566 1338667757 /nfs/dbraw/zinc/66/77/57/1338667757.db2.gz FAFWDKZDBCVSID-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016686908 1338689935 /nfs/dbraw/zinc/68/99/35/1338689935.db2.gz DQXUPGQDYDFRIL-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016703341 1338696408 /nfs/dbraw/zinc/69/64/08/1338696408.db2.gz XFAYMUXFFIPWIO-OALUTQOASA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016830410 1338740045 /nfs/dbraw/zinc/74/00/45/1338740045.db2.gz SAIACOIHMFAAFF-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016860991 1338750618 /nfs/dbraw/zinc/75/06/18/1338750618.db2.gz MDYKFMDAURLPCW-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC)CC2 ZINC001016924417 1338771915 /nfs/dbraw/zinc/77/19/15/1338771915.db2.gz WVQFBEUWEZIZSD-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001017137440 1338891318 /nfs/dbraw/zinc/89/13/18/1338891318.db2.gz FOTSLGLPYFRDGF-HNNXBMFYSA-N 2 0 337.533 3.002 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)[NH+](C)C ZINC001017147472 1338896882 /nfs/dbraw/zinc/89/68/82/1338896882.db2.gz XTCHGMUALLQFNI-PMACEKPBSA-N 2 0 349.563 3.243 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001017172259 1338917565 /nfs/dbraw/zinc/91/75/65/1338917565.db2.gz KMDCQRQEKZQWOC-IBGZPJMESA-N 2 0 346.519 3.024 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001017249281 1338979580 /nfs/dbraw/zinc/97/95/80/1338979580.db2.gz AJWYEDSMWIIIHL-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017267546 1338993792 /nfs/dbraw/zinc/99/37/92/1338993792.db2.gz QJHHMTJWYZAOID-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001018851170 1339738684 /nfs/dbraw/zinc/73/86/84/1339738684.db2.gz NKMRSOOSRCIVGP-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001028098843 1340425240 /nfs/dbraw/zinc/42/52/40/1340425240.db2.gz WGAVTNDZUUBFFC-YSIASYRMSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001028762278 1340797176 /nfs/dbraw/zinc/79/71/76/1340797176.db2.gz IRTLYCUAGSOYGD-IHPCNDPISA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001028902474 1340879502 /nfs/dbraw/zinc/87/95/02/1340879502.db2.gz WQPQLVUNAJLZNG-IBGZPJMESA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)C)C1 ZINC001028918440 1340884172 /nfs/dbraw/zinc/88/41/72/1340884172.db2.gz IATOUBSCXJJJCL-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001029100617 1340930038 /nfs/dbraw/zinc/93/00/38/1340930038.db2.gz KPQWLAWLBZIVMM-PKOBYXMFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029099890 1340930051 /nfs/dbraw/zinc/93/00/51/1340930051.db2.gz XWXJVXWJVNWLBH-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001029108302 1340931664 /nfs/dbraw/zinc/93/16/64/1340931664.db2.gz ZCBJUBMCTLXUOX-UZLBHIALSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001029107612 1340931712 /nfs/dbraw/zinc/93/17/12/1340931712.db2.gz PSOBTFYHALWYPC-OXJNMPFZSA-N 2 0 347.547 3.044 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001029144904 1340942414 /nfs/dbraw/zinc/94/24/14/1340942414.db2.gz OMVLSWUIHDRWMN-XLIONFOSSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001029147088 1340942622 /nfs/dbraw/zinc/94/26/22/1340942622.db2.gz NHHNLGZKRLWBJI-DLBZAZTESA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1)[NH+]1CCCCC1 ZINC001029172828 1340948526 /nfs/dbraw/zinc/94/85/26/1340948526.db2.gz GQTHAXXXGSLCBX-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001029503023 1341002435 /nfs/dbraw/zinc/00/24/35/1341002435.db2.gz HAKHJVGHTZEVHJ-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029596112 1341018614 /nfs/dbraw/zinc/01/86/14/1341018614.db2.gz ZTQJEBVKIFLSTD-QGZVKYPTSA-N 2 0 345.531 3.035 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001029858378 1341098018 /nfs/dbraw/zinc/09/80/18/1341098018.db2.gz BOXQMIFPZXRBKS-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC(C[N@H+](C)CC2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001029970774 1341138806 /nfs/dbraw/zinc/13/88/06/1341138806.db2.gz PEWMZKBBRMETSM-LYBXBRPPSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001030010350 1341156977 /nfs/dbraw/zinc/15/69/77/1341156977.db2.gz MMQLLWLFZKRLDL-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001030014619 1341158549 /nfs/dbraw/zinc/15/85/49/1341158549.db2.gz DVJGDLXTLRVZFO-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001030019297 1341159670 /nfs/dbraw/zinc/15/96/70/1341159670.db2.gz IDPKLACKJBVZIV-HBFSDRIKSA-N 2 0 345.531 3.223 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001030019316 1341159679 /nfs/dbraw/zinc/15/96/79/1341159679.db2.gz OQKZEWIWIOGDHU-MNEFBYGVSA-N 2 0 349.494 3.054 20 0 EGADRP O=C(NC1C[NH+](CC2CCCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001030314366 1341178262 /nfs/dbraw/zinc/17/82/62/1341178262.db2.gz CAAPJKLOOVSNNW-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001031766343 1341398594 /nfs/dbraw/zinc/39/85/94/1341398594.db2.gz GHWGIOXXFTXDPQ-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CC3CCCCCC3)C2)CC1 ZINC001032094320 1341454178 /nfs/dbraw/zinc/45/41/78/1341454178.db2.gz GYGKQQHCQNPYDN-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001032117320 1341457831 /nfs/dbraw/zinc/45/78/31/1341457831.db2.gz ATYAQZRUHMVKLP-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032433189 1341511509 /nfs/dbraw/zinc/51/15/09/1341511509.db2.gz LHXNSMTZCQWMHC-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)c1 ZINC001032799794 1341618362 /nfs/dbraw/zinc/61/83/62/1341618362.db2.gz MQXAVHWHAWUWDB-OALUTQOASA-N 2 0 343.515 3.083 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1 ZINC001032803108 1341618982 /nfs/dbraw/zinc/61/89/82/1341618982.db2.gz WHPQIROQQWVXLB-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001032828357 1341628809 /nfs/dbraw/zinc/62/88/09/1341628809.db2.gz MISAPURZOQORNS-WZOJCFFYSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033144772 1341738689 /nfs/dbraw/zinc/73/86/89/1341738689.db2.gz BQHRXBYOJVQLGX-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033353311 1341793428 /nfs/dbraw/zinc/79/34/28/1341793428.db2.gz GHAOIMLHZRBKEJ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001033357748 1341795776 /nfs/dbraw/zinc/79/57/76/1341795776.db2.gz BUGHGMQYZJZUTA-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467725 1341837745 /nfs/dbraw/zinc/83/77/45/1341837745.db2.gz RBXJILBLWOOSIL-QUCCMNQESA-N 2 0 347.547 3.284 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033833532 1342034072 /nfs/dbraw/zinc/03/40/72/1342034072.db2.gz IOLPTHAZMUWMDL-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001033833791 1342034101 /nfs/dbraw/zinc/03/41/01/1342034101.db2.gz AEEGRWFTNOBKQI-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033883554 1342057794 /nfs/dbraw/zinc/05/77/94/1342057794.db2.gz PYVBCFFGBYVKDI-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033888745 1342061641 /nfs/dbraw/zinc/06/16/41/1342061641.db2.gz SYPOOSPSUJSLHO-QGZVFWFLSA-N 2 0 342.487 3.307 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033937501 1342099859 /nfs/dbraw/zinc/09/98/59/1342099859.db2.gz MLWCHAZYRVLBDQ-YTQUADARSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001033939625 1342102132 /nfs/dbraw/zinc/10/21/32/1342102132.db2.gz CDVMAHIMPYGLHU-AFMYVXGZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003949 1342141888 /nfs/dbraw/zinc/14/18/88/1342141888.db2.gz JKRXILFYIKYBSG-PKOBYXMFSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034136930 1342263859 /nfs/dbraw/zinc/26/38/59/1342263859.db2.gz MJIZREWWNZOJSP-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034211513 1342320933 /nfs/dbraw/zinc/32/09/33/1342320933.db2.gz NLPOCUIIJDWHKO-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250513 1342348056 /nfs/dbraw/zinc/34/80/56/1342348056.db2.gz RGNNYAQYGHLGMC-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001034289663 1342376253 /nfs/dbraw/zinc/37/62/53/1342376253.db2.gz AMOADKSSHSCMBF-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289485 1342376493 /nfs/dbraw/zinc/37/64/93/1342376493.db2.gz UNVJWRYZPLGUNI-OALUTQOASA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001034362944 1342434463 /nfs/dbraw/zinc/43/44/63/1342434463.db2.gz KCXAHCWCHZENCP-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034394293 1342462591 /nfs/dbraw/zinc/46/25/91/1342462591.db2.gz KVXRQTUIVWLHTL-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034397200 1342464663 /nfs/dbraw/zinc/46/46/63/1342464663.db2.gz JIQLAHFIHNXRHN-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400196 1342466724 /nfs/dbraw/zinc/46/67/24/1342466724.db2.gz WWTFIGQMPXYSGL-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444336 1342504279 /nfs/dbraw/zinc/50/42/79/1342504279.db2.gz FOFBPQHCANKLRG-XLIONFOSSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474951 1342529819 /nfs/dbraw/zinc/52/98/19/1342529819.db2.gz NQDPVWDRHQQWNT-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(C)C)C1 ZINC001034479753 1342536172 /nfs/dbraw/zinc/53/61/72/1342536172.db2.gz BBJPMOXCWJYQAF-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001034527783 1342584734 /nfs/dbraw/zinc/58/47/34/1342584734.db2.gz HYFVDGUORZDAQN-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001034528780 1342585262 /nfs/dbraw/zinc/58/52/62/1342585262.db2.gz RAKMKOVRITVHKG-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034671993 1342682198 /nfs/dbraw/zinc/68/21/98/1342682198.db2.gz GIQUPPCVPZWHFP-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1ccccc1 ZINC001034733469 1342728525 /nfs/dbraw/zinc/72/85/25/1342728525.db2.gz CPKRLOJMJGUYNX-HNJRGHQBSA-N 2 0 343.515 3.106 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)C1 ZINC001034775845 1342753096 /nfs/dbraw/zinc/75/30/96/1342753096.db2.gz KQEUMQUMCAWHNC-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001034792123 1342760844 /nfs/dbraw/zinc/76/08/44/1342760844.db2.gz FQZPYVZKEZMMJK-LEAZDLGRSA-N 2 0 343.515 3.025 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CC[C@H]2CCC[N@H+]2C)cs1 ZINC001034962287 1342854194 /nfs/dbraw/zinc/85/41/94/1342854194.db2.gz RBBRQRWKPLXOHM-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001035020349 1342880966 /nfs/dbraw/zinc/88/09/66/1342880966.db2.gz XVJIKWGGQQOKMA-GGPKGHCWSA-N 2 0 343.515 3.121 20 0 EGADRP O=C(N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001035112286 1342936230 /nfs/dbraw/zinc/93/62/30/1342936230.db2.gz LHMPPNAQXTUFOP-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+](CCC(C)C)C3)CC2)CC[N@@H+]1C ZINC001035187723 1343000922 /nfs/dbraw/zinc/00/09/22/1343000922.db2.gz DMAGYOKUPXIYAR-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217346 1343037907 /nfs/dbraw/zinc/03/79/07/1343037907.db2.gz QTWMIBGBRFZQTF-FHWLQOOXSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035257047 1343083718 /nfs/dbraw/zinc/08/37/18/1343083718.db2.gz RLZILHLGKFSWNA-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1)[NH+]1CCCCC1 ZINC001035260369 1343087249 /nfs/dbraw/zinc/08/72/49/1343087249.db2.gz UVWFHVKEAZXZHT-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035725587 1343154251 /nfs/dbraw/zinc/15/42/51/1343154251.db2.gz ZLNMASJGTYFHQM-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035773078 1343184603 /nfs/dbraw/zinc/18/46/03/1343184603.db2.gz QECJKXKQRQNRKT-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035856791 1343233171 /nfs/dbraw/zinc/23/31/71/1343233171.db2.gz COBYKSHAROSOJS-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035856793 1343233259 /nfs/dbraw/zinc/23/32/59/1343233259.db2.gz COBYKSHAROSOJS-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035857708 1343233904 /nfs/dbraw/zinc/23/39/04/1343233904.db2.gz CAMBTUNPJRVNBX-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001036399758 1343465041 /nfs/dbraw/zinc/46/50/41/1343465041.db2.gz ILMNEIAAZQKZHB-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036409217 1343470259 /nfs/dbraw/zinc/47/02/59/1343470259.db2.gz HBRHCGJCSXOVHZ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001036477174 1343506403 /nfs/dbraw/zinc/50/64/03/1343506403.db2.gz XVDLMQZMFXOEHA-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036556388 1343552309 /nfs/dbraw/zinc/55/23/09/1343552309.db2.gz JYIKYDALMJATIX-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001037045574 1343947206 /nfs/dbraw/zinc/94/72/06/1343947206.db2.gz WQEGQYUPSYLZDY-VQIMIIECSA-N 2 0 340.471 3.013 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001037056310 1343953438 /nfs/dbraw/zinc/95/34/38/1343953438.db2.gz DURZVLVYJHWFGU-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001037201992 1344038320 /nfs/dbraw/zinc/03/83/20/1344038320.db2.gz DGJLAUAYQXSOKG-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038238223 1344338138 /nfs/dbraw/zinc/33/81/38/1344338138.db2.gz GJOOFHASDCWRFE-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1=CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038354557 1344395421 /nfs/dbraw/zinc/39/54/21/1344395421.db2.gz UMLWEMCICTUOSQ-PMACEKPBSA-N 2 0 345.531 3.084 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCC2)ccc2c[nH+]cn21 ZINC001038432571 1344426619 /nfs/dbraw/zinc/42/66/19/1344426619.db2.gz RZGRISWLFFBLMW-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038443007 1344430002 /nfs/dbraw/zinc/43/00/02/1344430002.db2.gz FXCLPPLGIKTNSA-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520991 1344464092 /nfs/dbraw/zinc/46/40/92/1344464092.db2.gz UCPYTXGGGCMKLI-IBGZPJMESA-N 2 0 340.471 3.109 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038556131 1344481907 /nfs/dbraw/zinc/48/19/07/1344481907.db2.gz PREHYZKUZIAVBT-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001039046657 1344733433 /nfs/dbraw/zinc/73/34/33/1344733433.db2.gz AKLBMDQHWCFCCB-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001039051397 1344736619 /nfs/dbraw/zinc/73/66/19/1344736619.db2.gz VPXVUYIBSKOPPD-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001039126469 1344803922 /nfs/dbraw/zinc/80/39/22/1344803922.db2.gz LGYONCMXMPPBGV-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139479 1344819178 /nfs/dbraw/zinc/81/91/78/1344819178.db2.gz HDOQMEAPYZVEMT-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140521 1344821315 /nfs/dbraw/zinc/82/13/15/1344821315.db2.gz GPJQCACLWQJMCM-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039141134 1344821339 /nfs/dbraw/zinc/82/13/39/1344821339.db2.gz QWUDRSYHRZQMQF-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039166480 1344852004 /nfs/dbraw/zinc/85/20/04/1344852004.db2.gz ZAZOWBFRYWBGSZ-QUCCMNQESA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039296064 1345001221 /nfs/dbraw/zinc/00/12/21/1345001221.db2.gz YFHYAFIHOUGVBL-QZNYNHHHSA-N 2 0 347.547 3.305 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039309473 1345007088 /nfs/dbraw/zinc/00/70/88/1345007088.db2.gz ZPXXTGOXHWIGHK-IHWFROFDSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415294 1345056059 /nfs/dbraw/zinc/05/60/59/1345056059.db2.gz CIIJNSOLHZHDPS-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+](CC)CC2CC2)CC1 ZINC001039490975 1345110832 /nfs/dbraw/zinc/11/08/32/1345110832.db2.gz IUNVZZHYUFSKNF-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001039861191 1345217902 /nfs/dbraw/zinc/21/79/02/1345217902.db2.gz ZWAWLOAJIPXQDD-SLFFLAALSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2)[NH+](C)C ZINC001040381553 1345466552 /nfs/dbraw/zinc/46/65/52/1345466552.db2.gz XLLKUBGULWTJRW-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2)[NH+](C)C ZINC001040744783 1345573405 /nfs/dbraw/zinc/57/34/05/1345573405.db2.gz BMXWZGOIZXCAFQ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001040847912 1345587776 /nfs/dbraw/zinc/58/77/76/1345587776.db2.gz CCSBIBWMANJAHT-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001040914739 1345599351 /nfs/dbraw/zinc/59/93/51/1345599351.db2.gz SSUMQTYWSGSMPD-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001040947909 1345607737 /nfs/dbraw/zinc/60/77/37/1345607737.db2.gz HWXMRMNFQJBKSS-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357364 1345708917 /nfs/dbraw/zinc/70/89/17/1345708917.db2.gz GVBJKXMOEGNNII-FPOVZHCZSA-N 2 0 347.547 3.118 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001041725672 1345832995 /nfs/dbraw/zinc/83/29/95/1345832995.db2.gz PNPBGFWFXDFRJZ-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726511 1345833518 /nfs/dbraw/zinc/83/35/18/1345833518.db2.gz ZNWXXCTVWLXZJQ-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001041757396 1345840874 /nfs/dbraw/zinc/84/08/74/1345840874.db2.gz UNCIZLACXRXBDH-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233083 1345998763 /nfs/dbraw/zinc/99/87/63/1345998763.db2.gz CJGAJMUYJFNQCD-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042286694 1346017681 /nfs/dbraw/zinc/01/76/81/1346017681.db2.gz BUEZGPAZFVEKOO-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001042925179 1346125352 /nfs/dbraw/zinc/12/53/52/1346125352.db2.gz YKYZBAXNFHSDKM-FQEVSTJZSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044335217 1346301234 /nfs/dbraw/zinc/30/12/34/1346301234.db2.gz DKQVADYIIKEKEB-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044629698 1346387490 /nfs/dbraw/zinc/38/74/90/1346387490.db2.gz OSOMAEOJEGTBLN-SJLPKXTDSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044742541 1346418521 /nfs/dbraw/zinc/41/85/21/1346418521.db2.gz HXEUSHQVSQNXKU-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044856976 1346446989 /nfs/dbraw/zinc/44/69/89/1346446989.db2.gz CTLXMSFMRDKQED-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044881682 1346453683 /nfs/dbraw/zinc/45/36/83/1346453683.db2.gz WLMYFRDFHNDBHX-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044881219 1346453803 /nfs/dbraw/zinc/45/38/03/1346453803.db2.gz UXVMKPLCYMKGJN-AEFFLSMTSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)[NH+]1CCCCC1 ZINC001045037216 1346484063 /nfs/dbraw/zinc/48/40/63/1346484063.db2.gz JIYVRKWFEGCUFL-KRWDZBQOSA-N 2 0 349.544 3.093 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045093543 1346494001 /nfs/dbraw/zinc/49/40/01/1346494001.db2.gz YUXRETFUVZBFDX-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001045149304 1346506511 /nfs/dbraw/zinc/50/65/11/1346506511.db2.gz YXYSBDGOZASASP-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001045203711 1346529538 /nfs/dbraw/zinc/52/95/38/1346529538.db2.gz KTBKLVFYPGWBBM-ICSRJNTNSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001045474850 1346602494 /nfs/dbraw/zinc/60/24/94/1346602494.db2.gz BTVSYENUTAEWDH-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045488827 1346607171 /nfs/dbraw/zinc/60/71/71/1346607171.db2.gz JCZIJDIBHANVNO-OAHLLOKOSA-N 2 0 342.487 3.273 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001045536511 1346620966 /nfs/dbraw/zinc/62/09/66/1346620966.db2.gz YCQYUHUINTYEGX-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045557859 1346628840 /nfs/dbraw/zinc/62/88/40/1346628840.db2.gz XHTDSEDQSSOFHA-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585507 1346637788 /nfs/dbraw/zinc/63/77/88/1346637788.db2.gz RYPLQAUMRLZXMY-ROUUACIJSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045588574 1346638196 /nfs/dbraw/zinc/63/81/96/1346638196.db2.gz BDMQUYPWPVEMFF-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H](F)CC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045646344 1346657649 /nfs/dbraw/zinc/65/76/49/1346657649.db2.gz GWTVZQMZUKJRGB-INIZCTEOSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001045824014 1346709121 /nfs/dbraw/zinc/70/91/21/1346709121.db2.gz PLJKMXKVLZHQME-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045895592 1346736474 /nfs/dbraw/zinc/73/64/74/1346736474.db2.gz KKWUGIJDFOHBDB-CEXWTWQISA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1)[NH+](C)C ZINC001045948301 1346783164 /nfs/dbraw/zinc/78/31/64/1346783164.db2.gz XSHVVCMVSZMNMT-QUCCMNQESA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960449 1346795840 /nfs/dbraw/zinc/79/58/40/1346795840.db2.gz KBQAWJDDJQTHFY-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986185 1346827979 /nfs/dbraw/zinc/82/79/79/1346827979.db2.gz JLVKPBOOQFSYCW-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001046316274 1346931830 /nfs/dbraw/zinc/93/18/30/1346931830.db2.gz NKGLKXIXTOZRKV-IEBWSBKVSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+](CCC2CCCC2)C1 ZINC001046487419 1346992186 /nfs/dbraw/zinc/99/21/86/1346992186.db2.gz XDWYBACEDZJNMQ-FQEVSTJZSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001046570017 1347021935 /nfs/dbraw/zinc/02/19/35/1347021935.db2.gz UBROHNBNXDNULS-CUWPLCDZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001047249462 1347274107 /nfs/dbraw/zinc/27/41/07/1347274107.db2.gz YJPZZUQRTCVOES-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252287 1347276705 /nfs/dbraw/zinc/27/67/05/1347276705.db2.gz AWTUPIBGQRYCJA-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266249 1347287694 /nfs/dbraw/zinc/28/76/94/1347287694.db2.gz UPPYWKWBZQIAAC-AZUAARDMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700586 1357350916 /nfs/dbraw/zinc/35/09/16/1357350916.db2.gz FBGZODUGHCLZNK-QWFCFKBJSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047887854 1347399663 /nfs/dbraw/zinc/39/96/63/1347399663.db2.gz CCHBYDCLCXULMD-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CC3CCCC3)C2)CC1 ZINC001048022331 1347442086 /nfs/dbraw/zinc/44/20/86/1347442086.db2.gz UOWSVBSFTNXYQY-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048338942 1347523381 /nfs/dbraw/zinc/52/33/81/1347523381.db2.gz OQOOLYOVVRLZLI-PKOBYXMFSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048582993 1347605197 /nfs/dbraw/zinc/60/51/97/1347605197.db2.gz BNJSDOCTCAXCJO-SWBPCFCJSA-N 2 0 349.563 3.122 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001048601031 1347614504 /nfs/dbraw/zinc/61/45/04/1347614504.db2.gz YFLUZIFBILVTRD-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001048615689 1347619291 /nfs/dbraw/zinc/61/92/91/1347619291.db2.gz LRKZWQWERHVOKT-BJLQDIEVSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001048623971 1347623097 /nfs/dbraw/zinc/62/30/97/1347623097.db2.gz YVCVIFOKPZBWHH-QAQDUYKDSA-N 2 0 349.519 3.267 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049466122 1347861801 /nfs/dbraw/zinc/86/18/01/1347861801.db2.gz ZNBWNHZZXBUPSQ-CEXWTWQISA-N 2 0 349.563 3.361 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482465 1347870407 /nfs/dbraw/zinc/87/04/07/1347870407.db2.gz NKXLVBMAQIACMH-MTQWCTHYSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001049533125 1347894944 /nfs/dbraw/zinc/89/49/44/1347894944.db2.gz MOONIKFQWRGSOL-AQNXPRMDSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049534972 1347896191 /nfs/dbraw/zinc/89/61/91/1347896191.db2.gz XURMQOPRIRGFCA-FHWLQOOXSA-N 2 0 349.563 3.074 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049535664 1347896940 /nfs/dbraw/zinc/89/69/40/1347896940.db2.gz IHCZXQXHBRHZOU-CEXWTWQISA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049725297 1347991555 /nfs/dbraw/zinc/99/15/55/1347991555.db2.gz WHKFIOVXRQEMJD-YZGWKJHDSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919229 1348111958 /nfs/dbraw/zinc/11/19/58/1348111958.db2.gz OBIICRWHTVZVPH-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050067121 1348171258 /nfs/dbraw/zinc/17/12/58/1348171258.db2.gz OHISLIIVJZNLGX-SLFFLAALSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001050393018 1348249039 /nfs/dbraw/zinc/24/90/39/1348249039.db2.gz ONTFLZKJWWWAAZ-SAABIXHNSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)CC2)[NH+](C)C ZINC001050553391 1348288388 /nfs/dbraw/zinc/28/83/88/1348288388.db2.gz BVCMZPAPGZIMGK-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001050635098 1348309917 /nfs/dbraw/zinc/30/99/17/1348309917.db2.gz HHHMTSMPPGATJC-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001050728194 1348339790 /nfs/dbraw/zinc/33/97/90/1348339790.db2.gz ODEXJHFLQAQFHD-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001051342113 1348437972 /nfs/dbraw/zinc/43/79/72/1348437972.db2.gz BIBCSGUTCUITKQ-ATZDWAIDSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376041 1348534662 /nfs/dbraw/zinc/53/46/62/1348534662.db2.gz CHAYKUUARGMJIG-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)CC1)[NH+]1CCCC1 ZINC001052618896 1348598162 /nfs/dbraw/zinc/59/81/62/1348598162.db2.gz AGTGATFDVIZPPT-KRWDZBQOSA-N 2 0 349.544 3.093 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)CC2)CC1 ZINC001052680464 1348627312 /nfs/dbraw/zinc/62/73/12/1348627312.db2.gz LNAOBSGXLDWUPI-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)cs1 ZINC001052716870 1348646490 /nfs/dbraw/zinc/64/64/90/1348646490.db2.gz QDYYPBLWYGQCJW-QAPCUYQASA-N 2 0 349.544 3.012 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC001052820171 1348689660 /nfs/dbraw/zinc/68/96/60/1348689660.db2.gz MQYAYDXYOFOKHB-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)CC2)CC1 ZINC001052836213 1348695404 /nfs/dbraw/zinc/69/54/04/1348695404.db2.gz GKDQZWNJLSHYGL-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954322 1348768192 /nfs/dbraw/zinc/76/81/92/1348768192.db2.gz MWEMMNKNKHJSAQ-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028458 1348827107 /nfs/dbraw/zinc/82/71/07/1348827107.db2.gz MEABUGWMKNKLLF-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053102869 1348936320 /nfs/dbraw/zinc/93/63/20/1348936320.db2.gz WPBGDTCQEWLBEL-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001054152733 1349156248 /nfs/dbraw/zinc/15/62/48/1349156248.db2.gz GUUZMNSWXUVLEZ-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054267516 1349265030 /nfs/dbraw/zinc/26/50/30/1349265030.db2.gz YGWQAYBVFYDZHE-FQEVSTJZSA-N 2 0 343.515 3.149 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCc2ccc3c(c2)C[NH+](C(C)C)C3)C1 ZINC001054268555 1349267069 /nfs/dbraw/zinc/26/70/69/1349267069.db2.gz PQAXOCONAYAYCM-IBGZPJMESA-N 2 0 343.515 3.005 20 0 EGADRP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270766 1349269709 /nfs/dbraw/zinc/26/97/09/1349269709.db2.gz ZZQRNKKYIXFNIB-FQEVSTJZSA-N 2 0 343.515 3.149 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285718 1349288511 /nfs/dbraw/zinc/28/85/11/1349288511.db2.gz WIFJHTGNYAFXRW-WOJBJXKFSA-N 2 0 341.499 3.045 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054648894 1349428905 /nfs/dbraw/zinc/42/89/05/1349428905.db2.gz KKPLXVKQKJUSCN-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001054650893 1349429547 /nfs/dbraw/zinc/42/95/47/1349429547.db2.gz UMDWBPAJNMNQKQ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC001322962222 1387256737 /nfs/dbraw/zinc/25/67/37/1387256737.db2.gz RJZMHQIFIARAHB-FQEVSTJZSA-N 2 0 343.515 3.012 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001183129767 1387267012 /nfs/dbraw/zinc/26/70/12/1387267012.db2.gz YHOXILLYVGDDHS-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001071508719 1354733386 /nfs/dbraw/zinc/73/33/86/1354733386.db2.gz SHWJSDDBPVHQQM-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCC1=CCCCC1 ZINC001071796015 1354941086 /nfs/dbraw/zinc/94/10/86/1354941086.db2.gz PERCVSRLTFMVOT-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873522 1354998707 /nfs/dbraw/zinc/99/87/07/1354998707.db2.gz YATNNPMWKOFOSS-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953776 1355038908 /nfs/dbraw/zinc/03/89/08/1355038908.db2.gz FMQOINZQACMDJP-IEBWSBKVSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096040 1355127694 /nfs/dbraw/zinc/12/76/94/1355127694.db2.gz SELLBVVRYKVODB-LPHOPBHVSA-N 2 0 331.504 3.131 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813180 1355448472 /nfs/dbraw/zinc/44/84/72/1355448472.db2.gz HTBNPUHCBVAMER-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(CC)CC)C1 ZINC001183221541 1387281689 /nfs/dbraw/zinc/28/16/89/1387281689.db2.gz PKPXHKITFIDDHC-YLJYHZDGSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCCC2)CC[N@@H+]1C ZINC001074018275 1356037656 /nfs/dbraw/zinc/03/76/56/1356037656.db2.gz UEMQSNDJGLJRSR-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1)[NH+]1CCCCCC1 ZINC001074075590 1356069755 /nfs/dbraw/zinc/06/97/55/1356069755.db2.gz HQHJCPJDCYSBGL-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001074767349 1356234196 /nfs/dbraw/zinc/23/41/96/1356234196.db2.gz SPWBHLQKCKVRJS-FFZOFVMBSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832499 1356260121 /nfs/dbraw/zinc/26/01/21/1356260121.db2.gz UMHUUOSZICLSHU-NPFFOCMASA-N 2 0 349.563 3.122 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)CC1 ZINC001075452815 1356387265 /nfs/dbraw/zinc/38/72/65/1356387265.db2.gz QOYXPOBDSSYKKT-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461624 1356395446 /nfs/dbraw/zinc/39/54/46/1356395446.db2.gz MXPPMKRGDXRORM-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001082589224 1358063800 /nfs/dbraw/zinc/06/38/00/1358063800.db2.gz PQRUNOYXUKODJF-NSISKUIASA-N 2 0 345.531 3.087 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC001323206174 1387311338 /nfs/dbraw/zinc/31/13/38/1387311338.db2.gz JVZOWUZFJXAGLY-HXUWFJFHSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCCC3CCCC3)C[C@H]21)[NH+](C)C ZINC001084639441 1358265927 /nfs/dbraw/zinc/26/59/27/1358265927.db2.gz SLMXKHHQEPETFM-VAMGGRTRSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084701538 1358286913 /nfs/dbraw/zinc/28/69/13/1358286913.db2.gz IJIVJTBXHPPGNH-CEXWTWQISA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085196558 1358430450 /nfs/dbraw/zinc/43/04/50/1358430450.db2.gz DRTILCHGXQNTGL-AQNXPRMDSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001085352577 1358476310 /nfs/dbraw/zinc/47/63/10/1358476310.db2.gz NRBVJCHWOZCCMU-QXAKKESOSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CC2)cc1 ZINC001085365181 1358479184 /nfs/dbraw/zinc/47/91/84/1358479184.db2.gz LGRQNXZVCGRETP-WOJBJXKFSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597767 1358624442 /nfs/dbraw/zinc/62/44/42/1358624442.db2.gz FSQQOKNGEDOJDQ-UYAOXDASSA-N 2 0 347.547 3.140 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1CCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725847 1358714335 /nfs/dbraw/zinc/71/43/35/1358714335.db2.gz HLYWVFPNYBONIJ-IBGZPJMESA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2=CCCCC2)C1 ZINC001085778804 1358754011 /nfs/dbraw/zinc/75/40/11/1358754011.db2.gz HYUWYVGOENFONL-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183827305 1387355129 /nfs/dbraw/zinc/35/51/29/1387355129.db2.gz ZGYMIZBFXNINMV-QGZVFWFLSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1cccnc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001323412003 1387365258 /nfs/dbraw/zinc/36/52/58/1387365258.db2.gz VUTCCNVUWGXDRC-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994167 1358948343 /nfs/dbraw/zinc/94/83/43/1358948343.db2.gz DOXSRADYXWDOSW-IAGOWNOFSA-N 2 0 349.519 3.314 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001323440362 1387369839 /nfs/dbraw/zinc/36/98/39/1387369839.db2.gz AOAXFEFNOIPVBT-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001086122436 1359002895 /nfs/dbraw/zinc/00/28/95/1359002895.db2.gz KXYAILXAQHAKQJ-CEXWTWQISA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086413380 1359091029 /nfs/dbraw/zinc/09/10/29/1359091029.db2.gz FVOFFXBPHAVIEK-VAMGGRTRSA-N 2 0 347.547 3.092 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086477851 1359113981 /nfs/dbraw/zinc/11/39/81/1359113981.db2.gz ASVRKZPHANJVDX-AFYVEPGGSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001086523043 1359131168 /nfs/dbraw/zinc/13/11/68/1359131168.db2.gz XBQUGLWVOLSWRQ-KESTWPANSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086558376 1359144989 /nfs/dbraw/zinc/14/49/89/1359144989.db2.gz JAEKNMFAPABUDL-UAPYVXQJSA-N 2 0 343.515 3.036 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086558545 1359145279 /nfs/dbraw/zinc/14/52/79/1359145279.db2.gz AEHYXCADCNLQLF-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318443 1359409806 /nfs/dbraw/zinc/40/98/06/1359409806.db2.gz XVFHNZDUDPIAAX-NEWSRXKRSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCC1CCCCCC1 ZINC001087523037 1359509224 /nfs/dbraw/zinc/50/92/24/1359509224.db2.gz GWRBJKLPDLMVOI-XUVXKRRUSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2CC)CC[NH+]1C ZINC001087578819 1359539482 /nfs/dbraw/zinc/53/94/82/1359539482.db2.gz QTDULJAJWIAFKD-WNRNVDISSA-N 2 0 337.552 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087593416 1359547008 /nfs/dbraw/zinc/54/70/08/1359547008.db2.gz GCLCTPDZRUVXEN-OTWHNJEPSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCC1 ZINC001087749909 1359626291 /nfs/dbraw/zinc/62/62/91/1359626291.db2.gz HEKLCBPAIYFNME-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792277 1359648627 /nfs/dbraw/zinc/64/86/27/1359648627.db2.gz WSZCZAZCIFXJGQ-IPMKNSEASA-N 2 0 337.552 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCC1=CCCCC1 ZINC001087797062 1359650371 /nfs/dbraw/zinc/65/03/71/1359650371.db2.gz WHTXFSFYBHZCLQ-HSALFYBXSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087838882 1359672276 /nfs/dbraw/zinc/67/22/76/1359672276.db2.gz ZNJPYVKNNVIQPZ-FFZOFVMBSA-N 2 0 345.531 3.377 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087963692 1359720776 /nfs/dbraw/zinc/72/07/76/1359720776.db2.gz CNYFPXLSPVWROT-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129931 1359768096 /nfs/dbraw/zinc/76/80/96/1359768096.db2.gz NBBYLVHBNBOYMV-AQNXPRMDSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001323639040 1387414571 /nfs/dbraw/zinc/41/45/71/1387414571.db2.gz WRXQUCXXKQCABE-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001323640991 1387415103 /nfs/dbraw/zinc/41/51/03/1387415103.db2.gz HLUZNJRQHFWVIV-IBGZPJMESA-N 2 0 347.462 3.144 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001088382991 1359864819 /nfs/dbraw/zinc/86/48/19/1359864819.db2.gz RBVOTKDEBDAXTM-SJLPKXTDSA-N 2 0 349.544 3.093 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001088381769 1359865526 /nfs/dbraw/zinc/86/55/26/1359865526.db2.gz MDEBYAAWJNFGAW-FQEVSTJZSA-N 2 0 345.531 3.175 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088414173 1359884677 /nfs/dbraw/zinc/88/46/77/1359884677.db2.gz YYTMSXAZLNTIBK-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001088425374 1359893686 /nfs/dbraw/zinc/89/36/86/1359893686.db2.gz ULLTZBDGGBYPOH-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C[C@@H]1C ZINC001184272443 1387421863 /nfs/dbraw/zinc/42/18/63/1387421863.db2.gz FYDYKCPZQWIMJZ-SLXDBMQSSA-N 2 0 346.519 3.163 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC001089060441 1360152490 /nfs/dbraw/zinc/15/24/90/1360152490.db2.gz MFKUFMSXQPSEQH-APWZRJJASA-N 2 0 345.531 3.377 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCC1 ZINC001089186387 1360237125 /nfs/dbraw/zinc/23/71/25/1360237125.db2.gz VZCLTKNIRJIDST-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406696 1360404922 /nfs/dbraw/zinc/40/49/22/1360404922.db2.gz QRJWLRHWJCXKHR-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558237 1360507237 /nfs/dbraw/zinc/50/72/37/1360507237.db2.gz GBPJNCVUDJYRPP-RBUKOAKNSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089564543 1360511706 /nfs/dbraw/zinc/51/17/06/1360511706.db2.gz BPQLQHYZTWYTAB-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089645855 1360558399 /nfs/dbraw/zinc/55/83/99/1360558399.db2.gz BQYLGONYWPCZGS-OALUTQOASA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CC2)CC[N@@H+]1C ZINC001089686392 1360591584 /nfs/dbraw/zinc/59/15/84/1360591584.db2.gz RQJJKYYGDWFPER-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723161 1360626602 /nfs/dbraw/zinc/62/66/02/1360626602.db2.gz HJYDCRSEPCIKJO-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCCC2)C1 ZINC001089732097 1360636465 /nfs/dbraw/zinc/63/64/65/1360636465.db2.gz MCHZOYGUYIUGJU-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089734861 1360639432 /nfs/dbraw/zinc/63/94/32/1360639432.db2.gz ZFRWZZZBKKOAGT-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001091038973 1360983572 /nfs/dbraw/zinc/98/35/72/1360983572.db2.gz INJJAQHADOGEEV-GHBBCFCZSA-N 2 0 347.547 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC001091198765 1361004820 /nfs/dbraw/zinc/00/48/20/1361004820.db2.gz SMKGIDZKYFMUHZ-IOJLRTSASA-N 2 0 347.547 3.093 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1)c1ccccc1 ZINC001184629200 1387501448 /nfs/dbraw/zinc/50/14/48/1387501448.db2.gz UGAUELILEREHOL-PKOBYXMFSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCC3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022301 1361275801 /nfs/dbraw/zinc/27/58/01/1361275801.db2.gz RSENFRBTLZAPFF-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094430263 1361799257 /nfs/dbraw/zinc/79/92/57/1361799257.db2.gz JCICGGCMJFQMQA-SFHLNBCPSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001095405664 1362130360 /nfs/dbraw/zinc/13/03/60/1362130360.db2.gz ZJOWZESELGWZBY-YDZRNGNQSA-N 2 0 347.547 3.017 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001184893713 1387557566 /nfs/dbraw/zinc/55/75/66/1387557566.db2.gz YMQJUMXIVFENKJ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)CC1 ZINC001095962728 1362311446 /nfs/dbraw/zinc/31/14/46/1362311446.db2.gz BPQDDOPSILDKLV-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001096012757 1362333943 /nfs/dbraw/zinc/33/39/43/1362333943.db2.gz YIYCUMUXQYPCJH-RNQOJCNYSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176555 1362415969 /nfs/dbraw/zinc/41/59/69/1362415969.db2.gz ZINDPHUGSUPPRM-LDTOTXGLSA-N 2 0 343.515 3.129 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001324264718 1387574615 /nfs/dbraw/zinc/57/46/15/1387574615.db2.gz YRQKLTKNDGYRAO-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001097177298 1362875461 /nfs/dbraw/zinc/87/54/61/1362875461.db2.gz NARCJXBSFKWCPY-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185053592 1387600136 /nfs/dbraw/zinc/60/01/36/1387600136.db2.gz UPZVQGGWJMXRBU-PXEQJPNCSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097974903 1363186039 /nfs/dbraw/zinc/18/60/39/1363186039.db2.gz YOLGYICBCWXNIR-ZRNYENFQSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098461179 1363332358 /nfs/dbraw/zinc/33/23/58/1363332358.db2.gz RRAYMAOUARGKBZ-RLLQIKCJSA-N 2 0 341.499 3.050 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459664 1363332424 /nfs/dbraw/zinc/33/24/24/1363332424.db2.gz PASGJOJRXVTHGT-OBZTUIKSSA-N 2 0 343.515 3.129 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185119921 1387622900 /nfs/dbraw/zinc/62/29/00/1387622900.db2.gz MHVQATVTIFTJCZ-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098975366 1363550618 /nfs/dbraw/zinc/55/06/18/1363550618.db2.gz HBZHYGQLOHBKEH-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976535 1363551654 /nfs/dbraw/zinc/55/16/54/1363551654.db2.gz UZCGEMNRBOSTEE-IKSUFZCESA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099081248 1363612948 /nfs/dbraw/zinc/61/29/48/1363612948.db2.gz ZHYZMGADFPZVAU-XCLUONLBSA-N 2 0 349.563 3.290 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)C1CC1 ZINC001099106368 1363625229 /nfs/dbraw/zinc/62/52/29/1363625229.db2.gz DVJDXNMJPWLVMH-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111280 1363629740 /nfs/dbraw/zinc/62/97/40/1363629740.db2.gz XCUQIHCFCOSSAV-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125559 1363638161 /nfs/dbraw/zinc/63/81/61/1363638161.db2.gz IKMAIDYDYQFZHR-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153728 1363659490 /nfs/dbraw/zinc/65/94/90/1363659490.db2.gz OXPRKACEEXLDRE-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001099241356 1363709827 /nfs/dbraw/zinc/70/98/27/1363709827.db2.gz ZHLMIKOBHOWSLG-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310906 1363743768 /nfs/dbraw/zinc/74/37/68/1363743768.db2.gz VTWKPJPEPLGDDW-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353622 1363768126 /nfs/dbraw/zinc/76/81/26/1363768126.db2.gz DPWRKUCQBXPZMU-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001099484396 1363814987 /nfs/dbraw/zinc/81/49/87/1363814987.db2.gz PKBGWARRESWPKQ-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100383204 1364097629 /nfs/dbraw/zinc/09/76/29/1364097629.db2.gz PQIYCWIWJJJVGY-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100405876 1364104037 /nfs/dbraw/zinc/10/40/37/1364104037.db2.gz QNVJPTSALDYGEP-ACBHZAAOSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100407023 1364104179 /nfs/dbraw/zinc/10/41/79/1364104179.db2.gz UWORDPGVJVPCNC-DAWZGUTISA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471100 1364126636 /nfs/dbraw/zinc/12/66/36/1364126636.db2.gz OVWBHLQMBXCAFE-ACBHZAAOSA-N 2 0 337.552 3.027 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100470812 1364126905 /nfs/dbraw/zinc/12/69/05/1364126905.db2.gz CCKZXNMVQRLYAH-ACBHZAAOSA-N 2 0 337.552 3.027 20 0 EGADRP CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100601969 1364184580 /nfs/dbraw/zinc/18/45/80/1364184580.db2.gz MJBIGZIUTHNGEZ-TVPLGVNVSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100613922 1364188985 /nfs/dbraw/zinc/18/89/85/1364188985.db2.gz CECFQRLKRPRICP-HJOIGYKYSA-N 2 0 349.519 3.121 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100613923 1364188991 /nfs/dbraw/zinc/18/89/91/1364188991.db2.gz CECFQRLKRPRICP-KLHKWILBSA-N 2 0 349.519 3.121 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001100669327 1364211289 /nfs/dbraw/zinc/21/12/89/1364211289.db2.gz UGMBWJBFNNKFME-VJFUWPCTSA-N 2 0 337.552 3.027 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100668689 1364211339 /nfs/dbraw/zinc/21/13/39/1364211339.db2.gz FDMLGKHVWOYOHG-YODWLWQJSA-N 2 0 337.552 3.338 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100680880 1364215757 /nfs/dbraw/zinc/21/57/57/1364215757.db2.gz JWTMQITUPDENPQ-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100731794 1364239237 /nfs/dbraw/zinc/23/92/37/1364239237.db2.gz GNELAIHVHHCXRQ-LMDPOFIKSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001100731887 1364239346 /nfs/dbraw/zinc/23/93/46/1364239346.db2.gz KKLZEFTYHAZTHT-QHGAOEGBSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]C[C@H](F)CC)C1 ZINC001100856739 1364294494 /nfs/dbraw/zinc/29/44/94/1364294494.db2.gz QOTZIOIGUACERN-LXPRWKDFSA-N 2 0 343.531 3.121 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101024805 1364379872 /nfs/dbraw/zinc/37/98/72/1364379872.db2.gz HHNSSMIPWZUUGL-PLNGDYQASA-N 2 0 335.536 3.093 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001101033111 1364382460 /nfs/dbraw/zinc/38/24/60/1364382460.db2.gz BXNSJKSONUDHJR-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001101033148 1364382492 /nfs/dbraw/zinc/38/24/92/1364382492.db2.gz DXQBDTUAQYNMBR-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037466 1364383630 /nfs/dbraw/zinc/38/36/30/1364383630.db2.gz OGFXPDXAMVYZMX-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037607 1364384342 /nfs/dbraw/zinc/38/43/42/1364384342.db2.gz UOSNTHQFZWBFPF-CTWPCTMYSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001101037562 1364384614 /nfs/dbraw/zinc/38/46/14/1364384614.db2.gz RUEYJMQWDUVIHQ-MHJFOBGBSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001101060108 1364396128 /nfs/dbraw/zinc/39/61/28/1364396128.db2.gz MXIISNRMXJAOAA-UHFFFAOYSA-N 2 0 349.519 3.410 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382390 1364538486 /nfs/dbraw/zinc/53/84/86/1364538486.db2.gz FISGSKFOVQKNKQ-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101418551 1364553597 /nfs/dbraw/zinc/55/35/97/1364553597.db2.gz XBKQSAGLPXDDOB-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101540509 1364606768 /nfs/dbraw/zinc/60/67/68/1364606768.db2.gz HGHUVOJOWHBAIQ-GOSISDBHSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001101550410 1364613395 /nfs/dbraw/zinc/61/33/95/1364613395.db2.gz HKACKCCZBISQDY-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001101569434 1364624447 /nfs/dbraw/zinc/62/44/47/1364624447.db2.gz ALKNBQIARGNRBU-BQYQJAHWSA-N 2 0 337.552 3.149 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185357961 1387691540 /nfs/dbraw/zinc/69/15/40/1387691540.db2.gz GUANOOKZUBXCSQ-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001101583468 1364635367 /nfs/dbraw/zinc/63/53/67/1364635367.db2.gz ZNFDUOLKKZRCOF-QGZVFWFLSA-N 2 0 339.568 3.229 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101597722 1364648714 /nfs/dbraw/zinc/64/87/14/1364648714.db2.gz YWHYUTZQRNZINN-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045088 1364821459 /nfs/dbraw/zinc/82/14/59/1364821459.db2.gz REENEFUKUAMUFJ-AHSYYPKJSA-N 2 0 349.563 3.290 20 0 EGADRP Cc1cccc([C@H](C)[N@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001102294296 1364988249 /nfs/dbraw/zinc/98/82/49/1364988249.db2.gz RNMAXEATQFDPFN-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596581 1365130616 /nfs/dbraw/zinc/13/06/16/1365130616.db2.gz NDSVSOBJSKPQAN-SBUVDCAVSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601851 1365131354 /nfs/dbraw/zinc/13/13/54/1365131354.db2.gz SOGAKYCGOHNZAL-AHSYYPKJSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103005073 1365334281 /nfs/dbraw/zinc/33/42/81/1365334281.db2.gz OFHXOEPBWNCGAT-YTWUFAMPSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001103495531 1365597415 /nfs/dbraw/zinc/59/74/15/1365597415.db2.gz GSJKSRRINOJYRB-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+](CC)CC ZINC001185610115 1387760230 /nfs/dbraw/zinc/76/02/30/1387760230.db2.gz RHCPLZJBIWZKHD-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001104000203 1365868031 /nfs/dbraw/zinc/86/80/31/1365868031.db2.gz YYTGLCJQWHKLNT-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185723575 1387785263 /nfs/dbraw/zinc/78/52/63/1387785263.db2.gz OEZSUZTWKCPMEC-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104641344 1366115313 /nfs/dbraw/zinc/11/53/13/1366115313.db2.gz MERIAXQUELLWLB-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185741489 1387787633 /nfs/dbraw/zinc/78/76/33/1387787633.db2.gz MVRZOPVDRQYBFR-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001104690481 1366131800 /nfs/dbraw/zinc/13/18/00/1366131800.db2.gz FVMUJPWEVLRJAG-KURKYZTESA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754599 1366158165 /nfs/dbraw/zinc/15/81/65/1366158165.db2.gz FTSXJUUDKOSVLH-YHTLKTDXSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832825 1366193091 /nfs/dbraw/zinc/19/30/91/1366193091.db2.gz VPGARCZDIUYRES-SBUVDCAVSA-N 2 0 349.563 3.149 20 0 EGADRP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517816 1366504930 /nfs/dbraw/zinc/50/49/30/1366504930.db2.gz KIEURNBPEQWQMR-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001105544339 1366521719 /nfs/dbraw/zinc/52/17/19/1366521719.db2.gz HTLZOJTXCNWHFQ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105562084 1366531703 /nfs/dbraw/zinc/53/17/03/1366531703.db2.gz VZYHAKSJYBSRMZ-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105562216 1366532150 /nfs/dbraw/zinc/53/21/50/1366532150.db2.gz ZKSWJGFSBQZFMJ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001105566321 1366534454 /nfs/dbraw/zinc/53/44/54/1366534454.db2.gz HTLZOJTXCNWHFQ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572319 1366538569 /nfs/dbraw/zinc/53/85/69/1366538569.db2.gz OGDMUGUCSRDRQO-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105574988 1366539863 /nfs/dbraw/zinc/53/98/63/1366539863.db2.gz OGXTYCINZZWQST-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)CCC1 ZINC001105579820 1366542986 /nfs/dbraw/zinc/54/29/86/1366542986.db2.gz WPHQXHVUNSENCP-LJQANCHMSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106119511 1366612619 /nfs/dbraw/zinc/61/26/19/1366612619.db2.gz CFDBRYDAVSOUGB-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106371153 1366673455 /nfs/dbraw/zinc/67/34/55/1366673455.db2.gz URNVKDAZWHXYKP-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599457 1366750965 /nfs/dbraw/zinc/75/09/65/1366750965.db2.gz IQQMLJZMRNHFMH-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673375 1366770498 /nfs/dbraw/zinc/77/04/98/1366770498.db2.gz XAPYDJDPKOUBIA-MHEJJFAZSA-N 2 0 337.552 3.005 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106730916 1366782815 /nfs/dbraw/zinc/78/28/15/1366782815.db2.gz WUTYDYKIWFBZQB-CWHLKURSSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001107033762 1366861619 /nfs/dbraw/zinc/86/16/19/1366861619.db2.gz ZRHGYWTUHCNECX-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328989 1366929958 /nfs/dbraw/zinc/92/99/58/1366929958.db2.gz DQGDUVVVZNZROQ-NLWGTHIKSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450530 1366968285 /nfs/dbraw/zinc/96/82/85/1366968285.db2.gz KHUJBOVAEVUDEP-LGVOAYDWSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312943 1366986213 /nfs/dbraw/zinc/98/62/13/1366986213.db2.gz YYUAQYANRHUBHD-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534004 1367024607 /nfs/dbraw/zinc/02/46/07/1367024607.db2.gz RQKVTZHMNYXBGG-BWPKTWLJSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546461 1367037865 /nfs/dbraw/zinc/03/78/65/1367037865.db2.gz DHVOJGADTJMQBZ-BAPOODPFSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554106 1367039945 /nfs/dbraw/zinc/03/99/45/1367039945.db2.gz ZOYWNQBURGMSDC-PCAREKGMSA-N 2 0 349.563 3.434 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@@]3(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]23)C1 ZINC001107614245 1367073233 /nfs/dbraw/zinc/07/32/33/1367073233.db2.gz ZOYIGCPPWOLDOM-SDVBZNEUSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643449 1367089658 /nfs/dbraw/zinc/08/96/58/1367089658.db2.gz JKBGCTSHIOBSQD-TZIWHRDSSA-N 2 0 347.547 3.189 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001107643895 1367089811 /nfs/dbraw/zinc/08/98/11/1367089811.db2.gz XJYVRAYARNRWSR-TZIWHRDSSA-N 2 0 347.547 3.023 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646624 1367092299 /nfs/dbraw/zinc/09/22/99/1367092299.db2.gz NBNWBYAKSZQELX-UYAOXDASSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399852 1367103854 /nfs/dbraw/zinc/10/38/54/1367103854.db2.gz ZMAQAPRFWAKRRK-CFXMGXPISA-N 2 0 347.547 3.327 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399289 1367104317 /nfs/dbraw/zinc/10/43/17/1367104317.db2.gz FIOQIDROPZNHST-YRXWBPOGSA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001109428257 1367115714 /nfs/dbraw/zinc/11/57/14/1367115714.db2.gz WIZQCDSOGKMFCY-FYQPLNBISA-N 2 0 349.563 3.265 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1)[NH+](C)C ZINC001109447629 1367127162 /nfs/dbraw/zinc/12/71/62/1367127162.db2.gz XRIWTWSSOQBWTM-HCXYKTFWSA-N 2 0 347.547 3.019 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178931 1367192137 /nfs/dbraw/zinc/19/21/37/1367192137.db2.gz XUYXEWOXZZKREJ-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324261 1367227018 /nfs/dbraw/zinc/22/70/18/1367227018.db2.gz JLRRYHCNASGIKR-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190444602 1367267001 /nfs/dbraw/zinc/26/70/01/1367267001.db2.gz RKXZACGCWKIUCI-MRXNPFEDSA-N 2 0 337.533 3.146 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719940 1367292066 /nfs/dbraw/zinc/29/20/66/1367292066.db2.gz SEQUMPWVIFARFY-CNGCZUSVSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001109733489 1367294994 /nfs/dbraw/zinc/29/49/94/1367294994.db2.gz RAHLHTMPSKZJBM-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868361 1367370699 /nfs/dbraw/zinc/37/06/99/1367370699.db2.gz MWOBADSPNFSJRQ-FYQPLNBISA-N 2 0 343.515 3.201 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082279 1367420336 /nfs/dbraw/zinc/42/03/36/1367420336.db2.gz WAEXDWNLFTWJBZ-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082213 1367420484 /nfs/dbraw/zinc/42/04/84/1367420484.db2.gz WAEXDWNLFTWJBZ-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001191223779 1367450250 /nfs/dbraw/zinc/45/02/50/1367450250.db2.gz PYHZQOBHIDUDNS-UXHICEINSA-N 2 0 338.511 3.416 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560261 1367527671 /nfs/dbraw/zinc/52/76/71/1367527671.db2.gz CJUZRPPTVJXVMM-MJRGOJFPSA-N 2 0 335.536 3.140 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001110158697 1367530506 /nfs/dbraw/zinc/53/05/06/1367530506.db2.gz UKQVQUPLQXIACA-ZVFVRTEYSA-N 2 0 347.547 3.329 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108702922 1367542571 /nfs/dbraw/zinc/54/25/71/1367542571.db2.gz GLXIITVUSFUEJP-BZSNNMDCSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108718969 1367555137 /nfs/dbraw/zinc/55/51/37/1367555137.db2.gz CQTOXEGRCAPGSJ-OTWHNJEPSA-N 2 0 347.547 3.164 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749478 1367573270 /nfs/dbraw/zinc/57/32/70/1367573270.db2.gz BPBXRHLLDJNLIP-TYTUHHLSSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001192158282 1367703927 /nfs/dbraw/zinc/70/39/27/1367703927.db2.gz LDLRLSQPAPROFZ-VQTJNVASSA-N 2 0 345.531 3.306 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192848887 1367887285 /nfs/dbraw/zinc/88/72/85/1367887285.db2.gz YFUMCLBDQFQSAI-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660553 1367903062 /nfs/dbraw/zinc/90/30/62/1367903062.db2.gz FIOQIDROPZNHST-MKXGPGLRSA-N 2 0 335.536 3.161 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001110748532 1367958672 /nfs/dbraw/zinc/95/86/72/1367958672.db2.gz IDVRHSMRZWOOTF-QRVBRYPASA-N 2 0 347.547 3.161 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001110748456 1367958934 /nfs/dbraw/zinc/95/89/34/1367958934.db2.gz DYIIXBWZVFSAAU-QRVBRYPASA-N 2 0 347.547 3.161 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001193290813 1367990874 /nfs/dbraw/zinc/99/08/74/1367990874.db2.gz FFMFODRPONCFQJ-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408133 1368020123 /nfs/dbraw/zinc/02/01/23/1368020123.db2.gz DRVREWJIEBUXON-CTNGQTDRSA-N 2 0 345.531 3.186 20 0 EGADRP CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001193560336 1368060717 /nfs/dbraw/zinc/06/07/17/1368060717.db2.gz QPBSRRAZHYUSAO-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001110958981 1368124392 /nfs/dbraw/zinc/12/43/92/1368124392.db2.gz CNKQVIFRSDDHAA-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001111018370 1368143621 /nfs/dbraw/zinc/14/36/21/1368143621.db2.gz RZGDKOJZHRVXDD-WTGUMLROSA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164279 1368174399 /nfs/dbraw/zinc/17/43/99/1368174399.db2.gz RDDVVULRSWWCEH-GMQMTFFASA-N 2 0 349.563 3.431 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228066 1368212993 /nfs/dbraw/zinc/21/29/93/1368212993.db2.gz PJQOYPFRDZKGHJ-HXUWFJFHSA-N 2 0 347.547 3.286 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227687 1368213076 /nfs/dbraw/zinc/21/30/76/1368213076.db2.gz LVWIMBARVMOLDF-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001194275371 1368222810 /nfs/dbraw/zinc/22/28/10/1368222810.db2.gz SAVODAOCCNEZHE-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001111466355 1368311265 /nfs/dbraw/zinc/31/12/65/1368311265.db2.gz RYQHHKSCQLTDKM-QRVBRYPASA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001111467779 1368313550 /nfs/dbraw/zinc/31/35/50/1368313550.db2.gz VRDHSFBKZADOLB-YSTOQKLRSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494543 1368321432 /nfs/dbraw/zinc/32/14/32/1368321432.db2.gz VTGIGOHMVBEDTP-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111816972 1368479760 /nfs/dbraw/zinc/47/97/60/1368479760.db2.gz HGEHHKPZTLLITM-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155158 1368559007 /nfs/dbraw/zinc/55/90/07/1368559007.db2.gz LWXVSNULKADCDD-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163661 1368560326 /nfs/dbraw/zinc/56/03/26/1368560326.db2.gz RJPAPBFNGGZEAO-HZQHCPKGSA-N 2 0 347.547 3.284 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111951009 1368571164 /nfs/dbraw/zinc/57/11/64/1368571164.db2.gz NXUJWVNHWXAJCR-ICSRJNTNSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111952384 1368572693 /nfs/dbraw/zinc/57/26/93/1368572693.db2.gz FTDITQGGXDEARD-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001111959064 1368574540 /nfs/dbraw/zinc/57/45/40/1368574540.db2.gz ZYXOSDMHIHCTIM-JBACZVJFSA-N 2 0 347.547 3.023 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001196275134 1368581783 /nfs/dbraw/zinc/58/17/83/1368581783.db2.gz GRTROXGQJBGRHT-PSCPARJHSA-N 2 0 347.547 3.284 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196382645 1368602915 /nfs/dbraw/zinc/60/29/15/1368602915.db2.gz RBSDMCHGZJIVNB-SNAWJCMRSA-N 2 0 340.471 3.147 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004134 1368607738 /nfs/dbraw/zinc/60/77/38/1368607738.db2.gz MDPGGKZFAAAQIH-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006234 1368608531 /nfs/dbraw/zinc/60/85/31/1368608531.db2.gz PDTUGBZXSHVSQN-FPOVZHCZSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001196962914 1368721702 /nfs/dbraw/zinc/72/17/02/1368721702.db2.gz LDPOTGWDOJPHLN-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001196962913 1368721958 /nfs/dbraw/zinc/72/19/58/1368721958.db2.gz LDPOTGWDOJPHLN-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001112396990 1368822390 /nfs/dbraw/zinc/82/23/90/1368822390.db2.gz NPVKHOYHKWECDM-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396762 1368822441 /nfs/dbraw/zinc/82/24/41/1368822441.db2.gz COTKQECUHDLFTQ-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001197708128 1368877491 /nfs/dbraw/zinc/87/74/91/1368877491.db2.gz WSEUGNNARUBUBL-IBGZPJMESA-N 2 0 345.531 3.241 20 0 EGADRP CCCc1ccc(C[N@@H+]2CCCN(C(=O)CC[NH+](C)CC)CC2)cc1 ZINC001197707937 1368877606 /nfs/dbraw/zinc/87/76/06/1368877606.db2.gz SAHVPVZMAHCZNQ-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001197768237 1368892851 /nfs/dbraw/zinc/89/28/51/1368892851.db2.gz KPBFSWAWHKIDEU-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197817011 1368905320 /nfs/dbraw/zinc/90/53/20/1368905320.db2.gz CPXULZFMYGZEAK-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001112531742 1368917008 /nfs/dbraw/zinc/91/70/08/1368917008.db2.gz ONQVTQQSNFBJKN-BJLQDIEVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879979 1368918776 /nfs/dbraw/zinc/91/87/76/1368918776.db2.gz PVRCHCHVADBRPC-HXUWFJFHSA-N 2 0 345.531 3.404 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001197885944 1368920121 /nfs/dbraw/zinc/92/01/21/1368920121.db2.gz LFCBQLCRFZBIQS-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112565509 1368930042 /nfs/dbraw/zinc/93/00/42/1368930042.db2.gz FZTPDDDVQKFCGS-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)Nc2ccsc2)cc1 ZINC001198008292 1368941144 /nfs/dbraw/zinc/94/11/44/1368941144.db2.gz VSDNOTRZQIJKHJ-UHFFFAOYSA-N 2 0 331.485 3.384 20 0 EGADRP CCC(CC)C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136486 1368966641 /nfs/dbraw/zinc/96/66/41/1368966641.db2.gz SFBCXIWDESMJJL-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001198337025 1369011212 /nfs/dbraw/zinc/01/12/12/1369011212.db2.gz IUDFKWAAAXBVCQ-UHFFFAOYSA-N 2 0 349.519 3.460 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)c1cncn1-c1cc[nH+]cc1 ZINC001198555565 1369060342 /nfs/dbraw/zinc/06/03/42/1369060342.db2.gz HDCWFYOFUBZUSA-KRWDZBQOSA-N 2 0 347.422 3.016 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001113032671 1369153848 /nfs/dbraw/zinc/15/38/48/1369153848.db2.gz AQEGQWWQCAVVAV-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[NH+](CCC3CCCC3)CC2)CCCCC1 ZINC001113155115 1369232398 /nfs/dbraw/zinc/23/23/98/1369232398.db2.gz IPBPLWFICNMLOG-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[NH+](CC3CC(C)(C)C3)CC2)CCCCC1 ZINC001113155730 1369232481 /nfs/dbraw/zinc/23/24/81/1369232481.db2.gz ZZNNXCJRSXYJTI-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)C(C)C ZINC001113441544 1369431009 /nfs/dbraw/zinc/43/10/09/1369431009.db2.gz GOIHGOYSJNSTKC-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CCC2CCCC2)CC1)C(C)C ZINC001113441512 1369431367 /nfs/dbraw/zinc/43/13/67/1369431367.db2.gz DCEWWDPLUPXSLF-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200842582 1369437486 /nfs/dbraw/zinc/43/74/86/1369437486.db2.gz ZVVITWBMGMLHOH-AATRIKPKSA-N 2 0 349.544 3.360 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201043624 1369470782 /nfs/dbraw/zinc/47/07/82/1369470782.db2.gz FAVHMTYEVBINLH-LJQANCHMSA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044163 1369470834 /nfs/dbraw/zinc/47/08/34/1369470834.db2.gz QVHJTZXFOWBPAY-GHOSXJJBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044175 1369470911 /nfs/dbraw/zinc/47/09/11/1369470911.db2.gz QVHJTZXFOWBPAY-OVKVCFKUSA-N 2 0 349.563 3.291 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052390 1369472507 /nfs/dbraw/zinc/47/25/07/1369472507.db2.gz DVDRPEZIRUPNJK-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201230997 1369500880 /nfs/dbraw/zinc/50/08/80/1369500880.db2.gz YTQNRWJJNGIROJ-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001201314181 1369516528 /nfs/dbraw/zinc/51/65/28/1369516528.db2.gz PCPYZWIJBAHIFI-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1)c1ccccc1 ZINC001201314194 1369516610 /nfs/dbraw/zinc/51/66/10/1369516610.db2.gz PIWAWRMJZMGURA-IBGZPJMESA-N 2 0 345.531 3.449 20 0 EGADRP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CC3CCCCC3)CC[C@@H]21 ZINC001201392607 1369535511 /nfs/dbraw/zinc/53/55/11/1369535511.db2.gz CDISVJAWLJVXTM-AABGKKOBSA-N 2 0 345.535 3.032 20 0 EGADRP CC(C)Nc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001201492198 1369556409 /nfs/dbraw/zinc/55/64/09/1369556409.db2.gz WRDBFVMJRNCLNH-UHFFFAOYSA-N 2 0 325.460 3.397 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001113679223 1369562540 /nfs/dbraw/zinc/56/25/40/1369562540.db2.gz IRYOZWYKHKDTBT-UXHICEINSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(Cl)nc(Cl)c3)cc[nH+]2)CC1 ZINC001201650912 1369596670 /nfs/dbraw/zinc/59/66/70/1369596670.db2.gz IZGHRGDPAQYMLY-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP CCNc1ccnc(Cl)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201654150 1369596992 /nfs/dbraw/zinc/59/69/92/1369596992.db2.gz IIFCJOQZXSEJEC-UHFFFAOYSA-N 2 0 346.866 3.057 20 0 EGADRP Cc1cncc2cccc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)c12 ZINC001201667429 1369601277 /nfs/dbraw/zinc/60/12/77/1369601277.db2.gz QQZKGHXOHMOWRP-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP CC(=O)c1ccc(Cl)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201668201 1369601371 /nfs/dbraw/zinc/60/13/71/1369601371.db2.gz SREDURAJCCYBTL-UHFFFAOYSA-N 2 0 344.846 3.433 20 0 EGADRP Cc1cc(=O)[nH]c2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)ccc12 ZINC001201666869 1369601588 /nfs/dbraw/zinc/60/15/88/1369601588.db2.gz HEDYQUNPFZMKPG-UHFFFAOYSA-N 2 0 349.438 3.139 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(O)c4ccccc34)cc[nH+]2)CC1 ZINC001201666185 1369601801 /nfs/dbraw/zinc/60/18/01/1369601801.db2.gz MHMFPYVZPRCXDA-UHFFFAOYSA-N 2 0 334.423 3.436 20 0 EGADRP COc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(Cl)c1 ZINC001201667593 1369602157 /nfs/dbraw/zinc/60/21/57/1369602157.db2.gz VOJUZGKCXCWJCI-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)CCCC1 ZINC001201840685 1369631991 /nfs/dbraw/zinc/63/19/91/1369631991.db2.gz SLIUVNCDXQEWSE-UHFFFAOYSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156841 1369703282 /nfs/dbraw/zinc/70/32/82/1369703282.db2.gz LXZFCPYRWOIBCF-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202197583 1369712955 /nfs/dbraw/zinc/71/29/55/1369712955.db2.gz TZRDFMZVITUEEF-UHFFFAOYSA-N 2 0 347.503 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1)[NH+](C)C ZINC001202531702 1369800824 /nfs/dbraw/zinc/80/08/24/1369800824.db2.gz LRLBKCDNMYRLOH-MEJUDOHFSA-N 2 0 343.515 3.011 20 0 EGADRP C[NH+](C)CCCn1cc(Nc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC001186997182 1388036891 /nfs/dbraw/zinc/03/68/91/1388036891.db2.gz OAYNCZMYBYYHNR-UHFFFAOYSA-N 2 0 327.476 3.174 20 0 EGADRP CCC1(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)COC1 ZINC001202935880 1369930403 /nfs/dbraw/zinc/93/04/03/1369930403.db2.gz GXFHVGNXYPLBBG-SFHVURJKSA-N 2 0 332.488 3.383 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001202940888 1369932408 /nfs/dbraw/zinc/93/24/08/1369932408.db2.gz UEWLGYRNFHOAAZ-WAYWQWQTSA-N 2 0 343.515 3.299 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203035546 1369962211 /nfs/dbraw/zinc/96/22/11/1369962211.db2.gz CCGVXFXCJDFPON-YSKLNCTFSA-N 2 0 347.547 3.234 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2)C1CCC1 ZINC001203044560 1369965330 /nfs/dbraw/zinc/96/53/30/1369965330.db2.gz MHCXGGAFSXZOJO-RBUKOAKNSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105359 1369985396 /nfs/dbraw/zinc/98/53/96/1369985396.db2.gz XHOZBQMIZTUDLE-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203122748 1369989843 /nfs/dbraw/zinc/98/98/43/1369989843.db2.gz JPIVIQQJSARAOP-ZWKOTPCHSA-N 2 0 340.471 3.073 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001325760698 1388042249 /nfs/dbraw/zinc/04/22/49/1388042249.db2.gz GORAECDMMZXINU-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001203208912 1370024996 /nfs/dbraw/zinc/02/49/96/1370024996.db2.gz NXHHALSTGJEMSQ-XFFZJAGNSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)o1 ZINC001203291698 1370064903 /nfs/dbraw/zinc/06/49/03/1370064903.db2.gz AADSDYKOIBMFTA-UHFFFAOYSA-N 2 0 330.428 3.048 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312757 1370077329 /nfs/dbraw/zinc/07/73/29/1370077329.db2.gz UJYMXDHAWOUJEC-SJORKVTESA-N 2 0 347.503 3.162 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330089 1370083962 /nfs/dbraw/zinc/08/39/62/1370083962.db2.gz CQCHMDMXABDNBW-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407497 1370114888 /nfs/dbraw/zinc/11/48/88/1370114888.db2.gz NBRUQBKQTWDZPZ-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP COc1ccccc1CN1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001203427381 1370121953 /nfs/dbraw/zinc/12/19/53/1370121953.db2.gz GMEXGFKOUUNZQM-HXUWFJFHSA-N 2 0 332.488 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001203443343 1370128803 /nfs/dbraw/zinc/12/88/03/1370128803.db2.gz SIIZREDRCLRXCB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203524618 1370155190 /nfs/dbraw/zinc/15/51/90/1370155190.db2.gz XUFMJUQETIPNBZ-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524477 1370155419 /nfs/dbraw/zinc/15/54/19/1370155419.db2.gz WAONLVLOUDHHTC-RKQNLGICSA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524474 1370155514 /nfs/dbraw/zinc/15/55/14/1370155514.db2.gz WAONLVLOUDHHTC-GNBGVQPESA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577003 1370176392 /nfs/dbraw/zinc/17/63/92/1370176392.db2.gz MNLKDJRPKFEYHF-YQJUVHNHSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203641218 1370198308 /nfs/dbraw/zinc/19/83/08/1370198308.db2.gz PMVUQKYQQZNMCO-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203652548 1370202191 /nfs/dbraw/zinc/20/21/91/1370202191.db2.gz VMPOCZCWJQYDTD-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(Oc2ccccc2)c1 ZINC001203811841 1370273272 /nfs/dbraw/zinc/27/32/72/1370273272.db2.gz UILSQHLFWJUSSY-UHFFFAOYSA-N 2 0 341.499 3.404 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)C)C[C@H]21 ZINC001115102974 1370281259 /nfs/dbraw/zinc/28/12/59/1370281259.db2.gz BMAYEQGAJBIYPO-ZGXWSNOMSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001203853735 1370290039 /nfs/dbraw/zinc/29/00/39/1370290039.db2.gz XNODKWXJYPGWER-IKSUFZCESA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203887915 1370300085 /nfs/dbraw/zinc/30/00/85/1370300085.db2.gz FOJOEUFNMARJDL-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP COc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1C ZINC001203895068 1370303204 /nfs/dbraw/zinc/30/32/04/1370303204.db2.gz OTKHICBNFQRDMR-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904348 1370308371 /nfs/dbraw/zinc/30/83/71/1370308371.db2.gz SQMDNORYMRFONG-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC001204056839 1370362401 /nfs/dbraw/zinc/36/24/01/1370362401.db2.gz MPOMOLICGVPVMT-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCCCC1 ZINC001115450566 1370458408 /nfs/dbraw/zinc/45/84/08/1370458408.db2.gz FZUPNKOHCRSWMD-IBGZPJMESA-N 2 0 347.547 3.380 20 0 EGADRP Cc1cc(C)cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001204522154 1370503077 /nfs/dbraw/zinc/50/30/77/1370503077.db2.gz SJGMTCPPPSQQRG-FGZHOGPDSA-N 2 0 342.527 3.484 20 0 EGADRP COC(=O)c1cccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001204665717 1370539904 /nfs/dbraw/zinc/53/99/04/1370539904.db2.gz KGTYMNWCKCRXAL-UHFFFAOYSA-N 2 0 330.472 3.027 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)CC1 ZINC001204714454 1370552169 /nfs/dbraw/zinc/55/21/69/1370552169.db2.gz RIYSVLNCCPAXBR-LJQANCHMSA-N 2 0 326.488 3.442 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727853 1370556583 /nfs/dbraw/zinc/55/65/83/1370556583.db2.gz SCCUTUMOYSGQCZ-OAQYLSRUSA-N 3 0 341.543 3.364 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001115591717 1370592515 /nfs/dbraw/zinc/59/25/15/1370592515.db2.gz AZTRXHHIRVZYOU-RBUKOAKNSA-N 2 0 347.547 3.212 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001115592174 1370593070 /nfs/dbraw/zinc/59/30/70/1370593070.db2.gz XEQGCSFTSANJLM-RBUKOAKNSA-N 2 0 347.547 3.378 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1)[NH+](C)C ZINC001115593983 1370595334 /nfs/dbraw/zinc/59/53/34/1370595334.db2.gz STMPONRHGVREKN-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115596320 1370597250 /nfs/dbraw/zinc/59/72/50/1370597250.db2.gz ASXOTDOTJIGCRJ-SFHVURJKSA-N 2 0 337.552 3.460 20 0 EGADRP [NH3+]C[C@@H]1[C@H]2C[N@@H+](Cc3c[nH]c4cc(OCc5ccccc5)ccc34)C[C@H]21 ZINC001204918566 1370605811 /nfs/dbraw/zinc/60/58/11/1370605811.db2.gz HSNRFVSNKMXGCP-MZADTFQBSA-N 2 0 347.462 3.383 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611595 1370610296 /nfs/dbraw/zinc/61/02/96/1370610296.db2.gz OMAYJOBPOJZBPC-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614482 1370612186 /nfs/dbraw/zinc/61/21/86/1370612186.db2.gz FYBKEMWZACIYEF-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648184 1370637105 /nfs/dbraw/zinc/63/71/05/1370637105.db2.gz DRPUIGVEKKIAAV-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP [NH3+][C@@H]1CCC[N@H+](Cc2cnc3cc(Br)ccc3c2)CC1 ZINC001205131414 1370659178 /nfs/dbraw/zinc/65/91/78/1370659178.db2.gz YCQLILPWDCCLGS-OAHLLOKOSA-N 2 0 334.261 3.311 20 0 EGADRP C[C@H]1CN(Cc2cc(F)ccc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205146108 1370662999 /nfs/dbraw/zinc/66/29/99/1370662999.db2.gz OOXFSVBUFZXNIF-MAUKXSAKSA-N 2 0 328.431 3.431 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)CC1 ZINC001205221336 1370686440 /nfs/dbraw/zinc/68/64/40/1370686440.db2.gz RVOZCYXFZDYYMQ-HXUWFJFHSA-N 2 0 344.430 3.294 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC001205228068 1370687875 /nfs/dbraw/zinc/68/78/75/1370687875.db2.gz BOSLJAYRVNMJLS-FQEVSTJZSA-N 2 0 344.430 3.294 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC001205247181 1370694845 /nfs/dbraw/zinc/69/48/45/1370694845.db2.gz CKYOFNDOZZCXTH-OAQYLSRUSA-N 2 0 346.515 3.321 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205271944 1370701911 /nfs/dbraw/zinc/70/19/11/1370701911.db2.gz RNOCYOLIBYLBQC-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001205273042 1370703423 /nfs/dbraw/zinc/70/34/23/1370703423.db2.gz CREBNZQWWVHAHD-HNNXBMFYSA-N 2 0 326.366 3.285 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205289905 1370708463 /nfs/dbraw/zinc/70/84/63/1370708463.db2.gz RGJHLXAGYRSHKL-UHFFFAOYSA-N 2 0 328.504 3.017 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115729847 1370711814 /nfs/dbraw/zinc/71/18/14/1370711814.db2.gz VEQPCQMNIQMWNB-SFHVURJKSA-N 2 0 347.547 3.380 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729838 1370712066 /nfs/dbraw/zinc/71/20/66/1370712066.db2.gz UVOYYKGBORVXHX-GOSISDBHSA-N 2 0 337.552 3.460 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729717 1370712508 /nfs/dbraw/zinc/71/25/08/1370712508.db2.gz QFVVFABHBHBGPR-WRFKIARRSA-N 2 0 335.536 3.236 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1)CC(C)(C)C ZINC001115730512 1370713140 /nfs/dbraw/zinc/71/31/40/1370713140.db2.gz LWNSXAXPDKLDRK-DHZHZOJOSA-N 2 0 343.943 3.126 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1([NH2+]CCC)CCCCC1 ZINC001115776155 1370759200 /nfs/dbraw/zinc/75/92/00/1370759200.db2.gz LLGBCQVDJMABRN-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)C(C)C ZINC001115776568 1370759448 /nfs/dbraw/zinc/75/94/48/1370759448.db2.gz UGZMWWYWPDROEX-QGZVFWFLSA-N 2 0 343.531 3.121 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205462174 1370763572 /nfs/dbraw/zinc/76/35/72/1370763572.db2.gz UOXXLDRZNLSNOS-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483797 1370769623 /nfs/dbraw/zinc/76/96/23/1370769623.db2.gz SCFMKQLWLYASDH-RRFGBZISSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519072 1370778822 /nfs/dbraw/zinc/77/88/22/1370778822.db2.gz UIXODRSGJGRNNU-WGLWSTOQSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001115806428 1370789917 /nfs/dbraw/zinc/78/99/17/1370789917.db2.gz WOJZMRSFTGXYNY-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205569979 1370794379 /nfs/dbraw/zinc/79/43/79/1370794379.db2.gz BJVCILXRJKVDFN-LJQANCHMSA-N 2 0 335.467 3.446 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Br ZINC001205571350 1370795543 /nfs/dbraw/zinc/79/55/43/1370795543.db2.gz SYNZAOCNXGXJSK-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205571650 1370795829 /nfs/dbraw/zinc/79/58/29/1370795829.db2.gz WVOURYPFVIOYOH-HNNXBMFYSA-N 2 0 334.357 3.367 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001205586159 1370801049 /nfs/dbraw/zinc/80/10/49/1370801049.db2.gz ONICTQLRVLWLJV-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592273 1370803466 /nfs/dbraw/zinc/80/34/66/1370803466.db2.gz RKSKXDAESIUMOG-HXUWFJFHSA-N 2 0 343.446 3.410 20 0 EGADRP C[C@H]1CC[N@H+](CCc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205601634 1370806200 /nfs/dbraw/zinc/80/62/00/1370806200.db2.gz FMFRUGFSEFNTDB-DZGCQCFKSA-N 2 0 325.294 3.298 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)no2)cc1 ZINC001205602627 1370807969 /nfs/dbraw/zinc/80/79/69/1370807969.db2.gz KPBYZUYXHJSIPO-ZBFHGGJFSA-N 2 0 329.444 3.157 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205602577 1370808180 /nfs/dbraw/zinc/80/81/80/1370808180.db2.gz JYBAEMBJNHOAER-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1Br ZINC001205627651 1370817852 /nfs/dbraw/zinc/81/78/52/1370817852.db2.gz RHFVRGMUEGOYJM-OCCSQVGLSA-N 2 0 341.293 3.265 20 0 EGADRP Cc1cc(Br)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1O ZINC001205651191 1370827888 /nfs/dbraw/zinc/82/78/88/1370827888.db2.gz AZALHDOUDOOKJD-WCQYABFASA-N 2 0 341.293 3.270 20 0 EGADRP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1OCC1CC1 ZINC001205663340 1370833667 /nfs/dbraw/zinc/83/36/67/1370833667.db2.gz HWEDVGYOWNZZHL-RDJZCZTQSA-N 2 0 332.488 3.291 20 0 EGADRP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1OC(F)(F)F ZINC001205663343 1370833717 /nfs/dbraw/zinc/83/37/17/1370833717.db2.gz HWQJALLBWUQPSC-JSGCOSHPSA-N 2 0 346.393 3.401 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001205734695 1370854106 /nfs/dbraw/zinc/85/41/06/1370854106.db2.gz GWESZDPVSYJOJG-HXUWFJFHSA-N 2 0 346.421 3.308 20 0 EGADRP CC1CC(C[NH2+]CC2CCN(C(=O)CC3([NH+](C)C)CCCC3)CC2)C1 ZINC001205769447 1370864947 /nfs/dbraw/zinc/86/49/47/1370864947.db2.gz YQUIPLOOVFLDTP-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(OC(F)(F)F)ccc1CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205781294 1370867909 /nfs/dbraw/zinc/86/79/09/1370867909.db2.gz VUGPNGGINGGBFG-LBPRGKRZSA-N 2 0 338.320 3.310 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001116294434 1370880667 /nfs/dbraw/zinc/88/06/67/1370880667.db2.gz YJPBJRAZSMDQPR-RTWAWAEBSA-N 2 0 347.522 3.295 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205853119 1370892631 /nfs/dbraw/zinc/89/26/31/1370892631.db2.gz LZFBRMSJAWYVDA-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205924441 1370912974 /nfs/dbraw/zinc/91/29/74/1370912974.db2.gz SYWSFBCIUPKRDH-YOEHRIQHSA-N 2 0 329.488 3.472 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n(C)n1 ZINC001205940981 1370918937 /nfs/dbraw/zinc/91/89/37/1370918937.db2.gz GVCZHCKWPRIHNW-UXHICEINSA-N 2 0 338.499 3.073 20 0 EGADRP C[C@@H]1C[N@H+](CCc2ccc(Br)cc2)CCC[C@H]1C[NH3+] ZINC001205981905 1370929460 /nfs/dbraw/zinc/92/94/60/1370929460.db2.gz IWLQAUMFYIUIJD-HIFRSBDPSA-N 2 0 325.294 3.298 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206004683 1370935219 /nfs/dbraw/zinc/93/52/19/1370935219.db2.gz ULMKGEXPZQDMGS-CHWSQXEVSA-N 2 0 346.393 3.401 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206013255 1370937623 /nfs/dbraw/zinc/93/76/23/1370937623.db2.gz QVLGNWCPZXWELP-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CCC[C@@H]1C[NH3+] ZINC001206011372 1370938344 /nfs/dbraw/zinc/93/83/44/1370938344.db2.gz BXIOYJWQOZTMJI-YLJYHZDGSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206026243 1370941889 /nfs/dbraw/zinc/94/18/89/1370941889.db2.gz RCAVIFBHFIKSQJ-GDBMZVCRSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2Oc2cnccn2)CCC[C@@H]1C[NH3+] ZINC001206027886 1370941964 /nfs/dbraw/zinc/94/19/64/1370941964.db2.gz XAWFDLHMMLFCSA-JKSUJKDBSA-N 2 0 326.444 3.076 20 0 EGADRP Cc1nc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093036 1370958531 /nfs/dbraw/zinc/95/85/31/1370958531.db2.gz KECUWWINHCVSEU-MOPGFXCFSA-N 2 0 325.456 3.327 20 0 EGADRP COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2c(OC)cccc12 ZINC001206166636 1370977437 /nfs/dbraw/zinc/97/74/37/1370977437.db2.gz TWHRKWRHVCPJNQ-CVEARBPZSA-N 2 0 332.419 3.118 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001206245973 1371003213 /nfs/dbraw/zinc/00/32/13/1371003213.db2.gz NSFCPJJIMZEHKZ-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC001116941503 1371004747 /nfs/dbraw/zinc/00/47/47/1371004747.db2.gz VETHGMRYBIQYDF-UHFFFAOYSA-N 2 0 327.516 3.497 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001206324366 1371022591 /nfs/dbraw/zinc/02/25/91/1371022591.db2.gz AITPDXALZBOSDO-SFHVURJKSA-N 2 0 332.879 3.477 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cnc1Br ZINC001206324851 1371023171 /nfs/dbraw/zinc/02/31/71/1371023171.db2.gz DWCSZIQNPYIVFG-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP [NH3+]C[C@@]1(F)CCCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001206335882 1371027274 /nfs/dbraw/zinc/02/72/74/1371027274.db2.gz HUTNLCQZJZKKGF-UXHICEINSA-N 2 0 333.495 3.194 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547577 1371090279 /nfs/dbraw/zinc/09/02/79/1371090279.db2.gz JKXZXDNWZYDMJV-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001206572556 1371096441 /nfs/dbraw/zinc/09/64/41/1371096441.db2.gz CNSGCDAPUQILCP-SFHVURJKSA-N 2 0 332.879 3.477 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587967 1371101183 /nfs/dbraw/zinc/10/11/83/1371101183.db2.gz SBXOSJRFQIBOSA-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]C[C@H](F)CC)CC1 ZINC001206621934 1371110988 /nfs/dbraw/zinc/11/09/88/1371110988.db2.gz MTPMEIRJINQUJP-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccnc(OCc3ccccc3)c2)C1 ZINC001206649603 1371119746 /nfs/dbraw/zinc/11/97/46/1371119746.db2.gz WSJQRPIHAYJYLE-LJQANCHMSA-N 2 0 325.456 3.221 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCCC[NH3+] ZINC001118020787 1371122121 /nfs/dbraw/zinc/12/21/21/1371122121.db2.gz YJSMSRKLMPWIHE-UHFFFAOYSA-N 2 0 341.286 3.375 20 0 EGADRP Cc1ccc2n[nH]c(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)c2c1 ZINC001206749565 1371153007 /nfs/dbraw/zinc/15/30/07/1371153007.db2.gz HBWZPROGLWXANG-UHFFFAOYSA-N 2 0 334.467 3.364 20 0 EGADRP COc1cccc(F)c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749728 1371153354 /nfs/dbraw/zinc/15/33/54/1371153354.db2.gz LNCQGTSTNXAANN-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206771724 1371160757 /nfs/dbraw/zinc/16/07/57/1371160757.db2.gz XKHOVBZHYOQCEV-WCQYABFASA-N 2 0 334.357 3.483 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001206780360 1371163891 /nfs/dbraw/zinc/16/38/91/1371163891.db2.gz WZSPTGPVDIJNHD-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(-c2ccccc2)cn1 ZINC001206805186 1371175092 /nfs/dbraw/zinc/17/50/92/1371175092.db2.gz ASIHWZSPFZKZNC-CVEARBPZSA-N 2 0 325.456 3.316 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951180 1371242985 /nfs/dbraw/zinc/24/29/85/1371242985.db2.gz BWBBVFSCYSAPTB-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952448 1371243777 /nfs/dbraw/zinc/24/37/77/1371243777.db2.gz OZGGOUNJRCDNBU-RRFGBZISSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001206954362 1371243928 /nfs/dbraw/zinc/24/39/28/1371243928.db2.gz FTKDSOYIVWSBOP-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC001207189049 1371323941 /nfs/dbraw/zinc/32/39/41/1371323941.db2.gz XNWYYQJFDPBFKP-YLJYHZDGSA-N 2 0 347.934 3.155 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@]4(C3)CCCOC4)CC2)cc1 ZINC001207292728 1371353162 /nfs/dbraw/zinc/35/31/62/1371353162.db2.gz XOGAKDULWIIMQC-OAQYLSRUSA-N 2 0 328.500 3.401 20 0 EGADRP O=C1CCC[C@H]2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001207293677 1371353819 /nfs/dbraw/zinc/35/38/19/1371353819.db2.gz CXZZRLSSVOPQEB-PMACEKPBSA-N 2 0 326.484 3.200 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)CC1 ZINC001207399337 1371383794 /nfs/dbraw/zinc/38/37/94/1371383794.db2.gz JDTZABIVYSZWMC-UHFFFAOYSA-N 2 0 348.874 3.143 20 0 EGADRP COc1cccc(CC[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001207430467 1371394338 /nfs/dbraw/zinc/39/43/38/1371394338.db2.gz FOZIAZSHKMPEDL-SFTDATJTSA-N 2 0 336.479 3.302 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436514 1371395009 /nfs/dbraw/zinc/39/50/09/1371395009.db2.gz LIBZZECPJJKAGB-GOSISDBHSA-N 2 0 329.488 3.096 20 0 EGADRP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](CC2CC[NH2+]CC2)C3)c1 ZINC001207435173 1371395599 /nfs/dbraw/zinc/39/55/99/1371395599.db2.gz JBFOQJLRCHHSCR-RTWAWAEBSA-N 2 0 343.515 3.008 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207463341 1371403232 /nfs/dbraw/zinc/40/32/32/1371403232.db2.gz BWYUQJMCDAJIAG-LJQANCHMSA-N 2 0 343.515 3.185 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207481996 1371410155 /nfs/dbraw/zinc/41/01/55/1371410155.db2.gz QAWJFKCOVQGYDZ-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487638 1371410446 /nfs/dbraw/zinc/41/04/46/1371410446.db2.gz PFSVOMBVACIETN-FCHUYYIVSA-N 3 0 341.543 3.172 20 0 EGADRP CN(Cc1ccccc1F)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487430 1371410588 /nfs/dbraw/zinc/41/05/88/1371410588.db2.gz IUJLXWKLRHHVSI-UHFFFAOYSA-N 3 0 347.522 3.454 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC(N3CCc4ccccc4C3)CC2)CC1 ZINC001207486051 1371411125 /nfs/dbraw/zinc/41/11/25/1371411125.db2.gz CKKLWWNAIMYGBQ-UHFFFAOYSA-N 3 0 341.543 3.241 20 0 EGADRP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001207487931 1371412040 /nfs/dbraw/zinc/41/20/40/1371412040.db2.gz ZCZDMPVKAVXCSL-IBGZPJMESA-N 2 0 336.520 3.164 20 0 EGADRP Cc1cccc(CC[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001207537915 1371428998 /nfs/dbraw/zinc/42/89/98/1371428998.db2.gz VPFQCDYWKZITTJ-YADHBBJMSA-N 2 0 335.495 3.386 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCCCC1 ZINC001120207740 1371503880 /nfs/dbraw/zinc/50/38/80/1371503880.db2.gz CQNSNGWFGFBVGA-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207789854 1371505426 /nfs/dbraw/zinc/50/54/26/1371505426.db2.gz GIRILPYHSVDUGJ-SJLPKXTDSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208078 1371505578 /nfs/dbraw/zinc/50/55/78/1371505578.db2.gz UJXOPDKJAHYSBO-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120239839 1371511124 /nfs/dbraw/zinc/51/11/24/1371511124.db2.gz HEOHMKXBHCWEFV-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccc(C)o1)C2 ZINC001207943170 1371545258 /nfs/dbraw/zinc/54/52/58/1371545258.db2.gz COGNWPMALKBEOX-CTNGQTDRSA-N 2 0 346.515 3.201 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](CCCc2ccc(C)o2)CC1 ZINC001207952415 1371549107 /nfs/dbraw/zinc/54/91/07/1371549107.db2.gz UXPBHTYOBWELMB-UHFFFAOYSA-N 2 0 335.536 3.260 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439746 1371577730 /nfs/dbraw/zinc/57/77/30/1371577730.db2.gz IQVWVOFSERZNMI-OYQYDDJWSA-N 2 0 349.563 3.388 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120439990 1371578097 /nfs/dbraw/zinc/57/80/97/1371578097.db2.gz KOVWQJFXVLXCMU-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208112843 1371598384 /nfs/dbraw/zinc/59/83/84/1371598384.db2.gz ZVLRIXVXXPWNDH-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208112841 1371598562 /nfs/dbraw/zinc/59/85/62/1371598562.db2.gz ZVLRIXVXXPWNDH-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001208113276 1371598613 /nfs/dbraw/zinc/59/86/13/1371598613.db2.gz GKBMBPXOHSBFPD-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)cc1 ZINC001208115150 1371599370 /nfs/dbraw/zinc/59/93/70/1371599370.db2.gz FSVZUTIOOQVAAY-SFHVURJKSA-N 2 0 330.472 3.342 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208123651 1371603872 /nfs/dbraw/zinc/60/38/72/1371603872.db2.gz PJDYVISFOCCVDR-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129102 1371604184 /nfs/dbraw/zinc/60/41/84/1371604184.db2.gz OIWWBGPRWVZMSG-YQVWRLOYSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CC1(CN2CCC([NH+]3CCC(F)CC3)CC2)CCCC1 ZINC001208185346 1371625892 /nfs/dbraw/zinc/62/58/92/1371625892.db2.gz AZIUMWJIIBPISL-UHFFFAOYSA-N 2 0 325.516 3.007 20 0 EGADRP Cc1cccc(O[C@@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208189621 1371631198 /nfs/dbraw/zinc/63/11/98/1371631198.db2.gz WJUCKUHMVMUSOQ-GOSISDBHSA-N 2 0 331.504 3.355 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331726 1371721458 /nfs/dbraw/zinc/72/14/58/1371721458.db2.gz WLNKNZKROQSYKO-RBUKOAKNSA-N 2 0 337.552 3.410 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001208341343 1371724581 /nfs/dbraw/zinc/72/45/81/1371724581.db2.gz ZHNORRUIPHERHE-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208358697 1371733399 /nfs/dbraw/zinc/73/33/99/1371733399.db2.gz LZEONEUNWVTETH-CQQBRXBZSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001208373128 1371740383 /nfs/dbraw/zinc/74/03/83/1371740383.db2.gz GLWGTQFFRAIQNP-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001208453307 1371771290 /nfs/dbraw/zinc/77/12/90/1371771290.db2.gz DOHIQTHQNCMTCJ-MSOLQXFVSA-N 2 0 345.531 3.367 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471582 1371780229 /nfs/dbraw/zinc/78/02/29/1371780229.db2.gz UPVNCRVSPCAAII-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208575783 1371824329 /nfs/dbraw/zinc/82/43/29/1371824329.db2.gz VEPQUXBKFZQZOV-LQVORQGVSA-N 2 0 337.552 3.290 20 0 EGADRP CCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588886 1371830277 /nfs/dbraw/zinc/83/02/77/1371830277.db2.gz MMSJWQCDNGVSSQ-OAQYLSRUSA-N 2 0 329.532 3.459 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)CC1 ZINC001208598751 1371834508 /nfs/dbraw/zinc/83/45/08/1371834508.db2.gz XCDKZBLEDHPHCF-UHFFFAOYSA-N 2 0 344.499 3.322 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001208597035 1371834710 /nfs/dbraw/zinc/83/47/10/1371834710.db2.gz AUPBAUHAVBWUFH-UHFFFAOYSA-N 2 0 333.495 3.065 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(N(C)Cc3ccc(F)cc3)CC2)CC1 ZINC001208603071 1371837092 /nfs/dbraw/zinc/83/70/92/1371837092.db2.gz UPMBSLPIVMARRZ-UHFFFAOYSA-N 2 0 347.522 3.454 20 0 EGADRP COc1ccccc1OCC1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208612116 1371839439 /nfs/dbraw/zinc/83/94/39/1371839439.db2.gz BCZUJZIXPDQWLJ-SFHVURJKSA-N 2 0 332.488 3.128 20 0 EGADRP C[N@H+](Cc1ccc(F)cc1)C1CCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208619888 1371844607 /nfs/dbraw/zinc/84/46/07/1371844607.db2.gz ZBTXFOVSSUSDSV-SFHVURJKSA-N 2 0 333.495 3.064 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103096 1371855098 /nfs/dbraw/zinc/85/50/98/1371855098.db2.gz RPBZMMCZHNRGRI-ODLLKVOJSA-N 2 0 347.547 3.233 20 0 EGADRP CC[C@@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001208783095 1371894744 /nfs/dbraw/zinc/89/47/44/1371894744.db2.gz OKQVGFSNDDDRLB-KRWDZBQOSA-N 2 0 336.520 3.306 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121247018 1371907184 /nfs/dbraw/zinc/90/71/84/1371907184.db2.gz VEKFMGFZCHTRBG-RTFOHNKSSA-N 2 0 347.547 3.090 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121326017 1371937572 /nfs/dbraw/zinc/93/75/72/1371937572.db2.gz SVDCESMDKZECPG-UHFFFAOYSA-N 2 0 337.552 3.170 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919114 1371944014 /nfs/dbraw/zinc/94/40/14/1371944014.db2.gz OXSNRHWQEGMPKF-HPFMTEOYSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@]1(CO)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208933016 1371951955 /nfs/dbraw/zinc/95/19/55/1371951955.db2.gz SRXUHLXMOVCKGO-LEWJYISDSA-N 2 0 330.516 3.383 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@]1(C)O ZINC001208932872 1371952030 /nfs/dbraw/zinc/95/20/30/1371952030.db2.gz RSMGADHWMMCSMU-GIVPXCGWSA-N 2 0 330.516 3.382 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208936212 1371952556 /nfs/dbraw/zinc/95/25/56/1371952556.db2.gz MRAYKRNZPPPXLR-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP FC1CN(C2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208939125 1371955086 /nfs/dbraw/zinc/95/50/86/1371955086.db2.gz FQMYNAMVOIYOLA-LJQANCHMSA-N 2 0 345.506 3.017 20 0 EGADRP C[N@H+](C1CC1)C1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208942934 1371957528 /nfs/dbraw/zinc/95/75/28/1371957528.db2.gz KCPFTVQEIUTXKP-HXUWFJFHSA-N 2 0 341.543 3.457 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CCCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950286 1371960640 /nfs/dbraw/zinc/96/06/40/1371960640.db2.gz RLBKPFFSURCFOV-FCHUYYIVSA-N 2 0 341.543 3.459 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]([NH3+])C1CCCCC1)c1ccccc1 ZINC001326371996 1388169752 /nfs/dbraw/zinc/16/97/52/1388169752.db2.gz VGFWAGHRPQWHSA-MAUKXSAKSA-N 2 0 331.504 3.140 20 0 EGADRP O=C(OCCN1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001209045769 1371981691 /nfs/dbraw/zinc/98/16/91/1371981691.db2.gz RGHDQJPAJIIOCO-LJQANCHMSA-N 2 0 330.472 3.184 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](CC3COC(C)(C)OC3)CC2)CC1 ZINC001209201628 1372036256 /nfs/dbraw/zinc/03/62/56/1372036256.db2.gz MJQCHUKFBSEVJS-UHFFFAOYSA-N 2 0 338.536 3.220 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223923 1372042358 /nfs/dbraw/zinc/04/23/58/1372042358.db2.gz XDTYLNVUJKZHNU-UYAOXDASSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2CCCCCc1ccccc1 ZINC001209230300 1372043904 /nfs/dbraw/zinc/04/39/04/1372043904.db2.gz OJBOWFRPWKYXEP-RTWAWAEBSA-N 2 0 329.532 3.110 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001187857832 1388178819 /nfs/dbraw/zinc/17/88/19/1388178819.db2.gz SNSJIXBPFJLVMO-IPMKNSEASA-N 2 0 349.563 3.218 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC001121848923 1372101137 /nfs/dbraw/zinc/10/11/37/1372101137.db2.gz SYELGQCGWMNDRH-CLDFGMERSA-N 2 0 344.503 3.208 20 0 EGADRP COc1cccc(O[C@H]2CCCN(CCC[NH+]3CCCCC3)C2)c1 ZINC001209448605 1372108455 /nfs/dbraw/zinc/10/84/55/1372108455.db2.gz FNLDWBGAVFTENR-FQEVSTJZSA-N 2 0 332.488 3.414 20 0 EGADRP COc1ccccc1[C@H](O)C[N@H+](CCC[NH+]1CCCCC1)C(C)C ZINC001209450016 1372108874 /nfs/dbraw/zinc/10/88/74/1372108874.db2.gz DQQVUSHCAYYZNT-LJQANCHMSA-N 2 0 334.504 3.315 20 0 EGADRP O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001209451539 1372109479 /nfs/dbraw/zinc/10/94/79/1372109479.db2.gz IGVSVTJPVCURCS-LJQANCHMSA-N 2 0 347.528 3.053 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651398 1372161620 /nfs/dbraw/zinc/16/16/20/1372161620.db2.gz SGKBTYYRBHZHFV-FXAWDEMLSA-N 2 0 345.531 3.031 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1)CC(C)(C)C ZINC001209688978 1372170568 /nfs/dbraw/zinc/17/05/68/1372170568.db2.gz IBPJLJWQRAWVIQ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(CC)CC)C2 ZINC001122101633 1372174355 /nfs/dbraw/zinc/17/43/55/1372174355.db2.gz UDGYFIAQZIQYRX-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCC[N@H+](Cc4cnccn4)C3)CC2)cc1 ZINC001209788149 1372197406 /nfs/dbraw/zinc/19/74/06/1372197406.db2.gz JYPDGBSDWFXGHP-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1ccccc1)C2 ZINC001122242616 1372210354 /nfs/dbraw/zinc/21/03/54/1372210354.db2.gz LPSXYAFHCDZDSP-WOLZCAMPSA-N 2 0 343.515 3.105 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122247952 1372211630 /nfs/dbraw/zinc/21/16/30/1372211630.db2.gz AWADJZZJKCPWIE-MBEFBZSESA-N 2 0 347.547 3.090 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122248481 1372211943 /nfs/dbraw/zinc/21/19/43/1372211943.db2.gz ITDLUBUXPKPEHI-RBUNFDSBSA-N 2 0 349.563 3.170 20 0 EGADRP Cc1cc(N)[nH+]cc1Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC001209968347 1372243508 /nfs/dbraw/zinc/24/35/08/1372243508.db2.gz YBUMNJDVYUETGM-UHFFFAOYSA-N 2 0 331.851 3.121 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210227508 1372299376 /nfs/dbraw/zinc/29/93/76/1372299376.db2.gz BYCRHYJVNBLOHD-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP c1ccc(-c2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cn2)cc1 ZINC001210261806 1372308642 /nfs/dbraw/zinc/30/86/42/1372308642.db2.gz HLKNFEQZXSDGBZ-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP COc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1C(C)C ZINC001210267518 1372310170 /nfs/dbraw/zinc/31/01/70/1372310170.db2.gz HDWYNYBRZIWYAY-UHFFFAOYSA-N 2 0 326.444 3.367 20 0 EGADRP COc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc2ccccc21 ZINC001210270423 1372311984 /nfs/dbraw/zinc/31/19/84/1372311984.db2.gz BEOCXFRZNIYRKN-UHFFFAOYSA-N 2 0 334.423 3.397 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428940 1372351017 /nfs/dbraw/zinc/35/10/17/1372351017.db2.gz WYEVXPWKIMZLNQ-PXDRNWIDSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210616055 1372392498 /nfs/dbraw/zinc/39/24/98/1372392498.db2.gz ZPHVLVNKPMBVLI-CTNGQTDRSA-N 2 0 343.515 3.010 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240583 1372509520 /nfs/dbraw/zinc/50/95/20/1372509520.db2.gz NHQZOOHLCDAPAM-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211258128 1372514039 /nfs/dbraw/zinc/51/40/39/1372514039.db2.gz YUELVVVTEAIRFF-SBUVDCAVSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211262687 1372515147 /nfs/dbraw/zinc/51/51/47/1372515147.db2.gz WHIZIDPJGUCZTG-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211443823 1372559430 /nfs/dbraw/zinc/55/94/30/1372559430.db2.gz IOTONLBRRNXZGC-SBUVDCAVSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)(C)Oc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)cc1 ZINC001212320632 1372685753 /nfs/dbraw/zinc/68/57/53/1372685753.db2.gz TXEAGWFKNYGVCX-UHFFFAOYSA-N 2 0 344.459 3.003 20 0 EGADRP Cc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)cc1C(F)(F)F ZINC001212335937 1372689529 /nfs/dbraw/zinc/68/95/29/1372689529.db2.gz OZMGUPXCCQWQET-HNNXBMFYSA-N 2 0 342.365 3.367 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(F)c3ccccc23)no1 ZINC001212336207 1372689690 /nfs/dbraw/zinc/68/96/90/1372689690.db2.gz VGWSZXSWDPGELW-SFHVURJKSA-N 2 0 328.391 3.332 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc3nccc(Cl)c3c2)no1 ZINC001212336268 1372690447 /nfs/dbraw/zinc/69/04/47/1372690447.db2.gz YEFMRZLVSKPOOP-KRWDZBQOSA-N 2 0 345.834 3.241 20 0 EGADRP C[NH+]1CCN(c2cncc(Nc3cc[nH+]c(C(C)(C)C)c3)c2)CC1 ZINC001213164386 1372851925 /nfs/dbraw/zinc/85/19/25/1372851925.db2.gz PLTKBMMABGVMFM-UHFFFAOYSA-N 2 0 325.460 3.270 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001326555474 1388238377 /nfs/dbraw/zinc/23/83/77/1388238377.db2.gz SOUUXMOHOQLJEB-UFYCRDLUSA-N 2 0 345.531 3.100 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322838 1373115286 /nfs/dbraw/zinc/11/52/86/1373115286.db2.gz YDPSAEMKMOKGJA-KRWDZBQOSA-N 2 0 331.504 3.026 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001188106352 1388243099 /nfs/dbraw/zinc/24/30/99/1388243099.db2.gz GYBHFQGVUVMQOS-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356562 1373118552 /nfs/dbraw/zinc/11/85/52/1373118552.db2.gz HNIHBOIXVWWBFK-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583337 1388247632 /nfs/dbraw/zinc/24/76/32/1388247632.db2.gz GZUGATZKRZMZTN-CQSZACIVSA-N 2 0 335.879 3.133 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001188139862 1388248378 /nfs/dbraw/zinc/24/83/78/1388248378.db2.gz SWQCASNSJPLUST-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139570 1388248476 /nfs/dbraw/zinc/24/84/76/1388248476.db2.gz PJTBWTQUPFDORD-KAGICYHLSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001128783040 1373311203 /nfs/dbraw/zinc/31/12/03/1373311203.db2.gz CVYGAJNOYWYSLZ-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838741 1373349466 /nfs/dbraw/zinc/34/94/66/1373349466.db2.gz DKGZJYCWMFQZLD-ASIGSXEYSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3csc4c3CC[NH2+]C4)n2)cc1 ZINC001217258501 1373412332 /nfs/dbraw/zinc/41/23/32/1373412332.db2.gz MPSLTOXRNHWNED-UHFFFAOYSA-N 2 0 340.452 3.172 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl)[NH+](C)C ZINC001130203600 1373474095 /nfs/dbraw/zinc/47/40/95/1373474095.db2.gz QRGRTMDEIGMAGD-IAQYHMDHSA-N 2 0 346.302 3.100 20 0 EGADRP [NH3+]Cc1cccc(Cc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)c1 ZINC001217711075 1373493049 /nfs/dbraw/zinc/49/30/49/1373493049.db2.gz DBHHVSFEWXRFBX-LJQANCHMSA-N 2 0 348.450 3.109 20 0 EGADRP O=C(NCC[NH2+]Cc1cccc2ccccc21)c1ccn2c[nH+]cc2c1 ZINC001130868043 1373600158 /nfs/dbraw/zinc/60/01/58/1373600158.db2.gz XMAKVAYCLHKSBH-UHFFFAOYSA-N 2 0 344.418 3.007 20 0 EGADRP Fc1ccccc1C[N@@H+]1CCC[C@H](Oc2ccc3c(c2)C[NH2+]C3)C1 ZINC001218390644 1373605357 /nfs/dbraw/zinc/60/53/57/1373605357.db2.gz LVSFAQMYFULAIN-IBGZPJMESA-N 2 0 326.415 3.472 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4[C@@H]5CC[C@H]4[NH2+]C5)cc32)CC1 ZINC001218444652 1373613412 /nfs/dbraw/zinc/61/34/12/1373613412.db2.gz OFRRJCMVVRBFMX-XMCHAPAWSA-N 2 0 325.456 3.106 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001218993162 1373675989 /nfs/dbraw/zinc/67/59/89/1373675989.db2.gz GMXIICUOZZOTRU-UHFFFAOYSA-N 2 0 335.451 3.084 20 0 EGADRP [NH3+][C@H](CC(=O)Nc1cccc2c1C[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC001218993966 1373676137 /nfs/dbraw/zinc/67/61/37/1373676137.db2.gz YYZDJXOHOYDWPL-OAHLLOKOSA-N 2 0 349.356 3.337 20 0 EGADRP O=C(Nc1cccc(-c2cccs2)c1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219272040 1373697531 /nfs/dbraw/zinc/69/75/31/1373697531.db2.gz ZVRJIFJWYQBYJV-MRXNPFEDSA-N 2 0 341.480 3.228 20 0 EGADRP COc1cccc2c(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)cccc12 ZINC001219361927 1373703838 /nfs/dbraw/zinc/70/38/38/1373703838.db2.gz BAWSTWAEPFRHSR-KRWDZBQOSA-N 2 0 343.471 3.283 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001219954555 1373741014 /nfs/dbraw/zinc/74/10/14/1373741014.db2.gz LKIANZUFQWCQPH-UYAOXDASSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)C[C@@](C)([NH3+])C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204199 1373768076 /nfs/dbraw/zinc/76/80/76/1373768076.db2.gz HXMOCZMGVINGNY-AZUAARDMSA-N 2 0 349.494 3.136 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)C(C)C ZINC001221876672 1373800051 /nfs/dbraw/zinc/80/00/51/1373800051.db2.gz NTYWHHAXNVDYTH-VAMGGRTRSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+]Cc1ccc(CF)cc1)C1CCCCC1 ZINC001131815654 1373819422 /nfs/dbraw/zinc/81/94/22/1373819422.db2.gz NOAQNYXCNMGTQP-UHFFFAOYSA-N 2 0 349.494 3.017 20 0 EGADRP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC1 ZINC001222514687 1373851094 /nfs/dbraw/zinc/85/10/94/1373851094.db2.gz BXDUXZLEGDEDOF-IBGZPJMESA-N 2 0 345.531 3.013 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224753715 1375074821 /nfs/dbraw/zinc/07/48/21/1375074821.db2.gz MUERCHHSOKLPME-AATRIKPKSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224883456 1375082285 /nfs/dbraw/zinc/08/22/85/1375082285.db2.gz AOWIIFNNAWOZLG-PKOBYXMFSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](Cc2ccccc2C)CC1 ZINC001225245765 1375099358 /nfs/dbraw/zinc/09/93/58/1375099358.db2.gz XPYHMJGCVOHDGH-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC(C)(C)C ZINC001132105034 1375150583 /nfs/dbraw/zinc/15/05/83/1375150583.db2.gz AIOGSGXEAVBFFR-SJORKVTESA-N 2 0 337.552 3.266 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132248876 1375244794 /nfs/dbraw/zinc/24/47/94/1375244794.db2.gz JWBJEQMDRUDHSO-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277458 1375260721 /nfs/dbraw/zinc/26/07/21/1375260721.db2.gz HGCXRYOUEMWDRN-MJGOQNOKSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CCC(C)(C)C ZINC001132310572 1375288037 /nfs/dbraw/zinc/28/80/37/1375288037.db2.gz LUZKUSFMACMSLU-IAGOWNOFSA-N 2 0 339.568 3.370 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226799586 1375338098 /nfs/dbraw/zinc/33/80/98/1375338098.db2.gz CQCFDTXHALWLTH-YSNLUETFSA-N 2 0 335.536 3.090 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132375251 1375338850 /nfs/dbraw/zinc/33/88/50/1375338850.db2.gz CCYATQHAGCCEOO-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCF)C1 ZINC001132419972 1375368598 /nfs/dbraw/zinc/36/85/98/1375368598.db2.gz KZVXYOUXVINKPL-ROUUACIJSA-N 2 0 343.531 3.217 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435390 1375379971 /nfs/dbraw/zinc/37/99/71/1375379971.db2.gz CMMKLVFLMPGKER-VXOKQSJXSA-N 2 0 337.552 3.434 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132436101 1375381654 /nfs/dbraw/zinc/38/16/54/1375381654.db2.gz IQQLGVVWYLABRK-ZWKOTPCHSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132437453 1375382035 /nfs/dbraw/zinc/38/20/35/1375382035.db2.gz UVVGGXBXNOYJOA-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132441417 1375384260 /nfs/dbraw/zinc/38/42/60/1375384260.db2.gz OOCDYGKIEFPLQH-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001227211340 1375407335 /nfs/dbraw/zinc/40/73/35/1375407335.db2.gz FOBCPSHXKQADBT-RTBURBONSA-N 2 0 340.471 3.240 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132519399 1375436859 /nfs/dbraw/zinc/43/68/59/1375436859.db2.gz YDKXDDZYFAZZAH-SJORKVTESA-N 2 0 325.541 3.122 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132517772 1375435690 /nfs/dbraw/zinc/43/56/90/1375435690.db2.gz GIVFKOURAQEHMK-MJGOQNOKSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132517425 1375436217 /nfs/dbraw/zinc/43/62/17/1375436217.db2.gz CCQYMRLRVDCLQI-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227508330 1375439930 /nfs/dbraw/zinc/43/99/30/1375439930.db2.gz ADJWFTLBDOITGT-RTBURBONSA-N 2 0 342.487 3.401 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CC1CCC1 ZINC001132549329 1375455409 /nfs/dbraw/zinc/45/54/09/1375455409.db2.gz QQFAFSKXAJYGDJ-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132549309 1375455649 /nfs/dbraw/zinc/45/56/49/1375455649.db2.gz QFLFCNUBMXOBSH-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001227703987 1375464378 /nfs/dbraw/zinc/46/43/78/1375464378.db2.gz PQQFCAHZJNRPDY-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001227807021 1375477961 /nfs/dbraw/zinc/47/79/61/1375477961.db2.gz KZXGNLSJTKCLTB-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001227876096 1375485675 /nfs/dbraw/zinc/48/56/75/1375485675.db2.gz FCBYEGIEUGKMQG-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001227900308 1375489360 /nfs/dbraw/zinc/48/93/60/1375489360.db2.gz RTZYGIUPYHDVNJ-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001327102798 1388380848 /nfs/dbraw/zinc/38/08/48/1388380848.db2.gz VMGFUDITMLLTOP-RBUKOAKNSA-N 2 0 331.504 3.131 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001228039819 1375508482 /nfs/dbraw/zinc/50/84/82/1375508482.db2.gz PGLAIIPZYAAPOE-HNNXBMFYSA-N 2 0 349.494 3.198 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001228138113 1375519812 /nfs/dbraw/zinc/51/98/12/1375519812.db2.gz OKWXFSCGGRHXCX-SHOKJUJBSA-N 2 0 349.563 3.482 20 0 EGADRP C[N@@H+]1CC[C@H](Oc2ccc(C[NH+]3CCCCC3)c3cccnc23)C1 ZINC001228375019 1375559732 /nfs/dbraw/zinc/55/97/32/1375559732.db2.gz VBLPUZCVXLWFJF-KRWDZBQOSA-N 2 0 325.456 3.304 20 0 EGADRP CC1CCC(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001132791138 1375566634 /nfs/dbraw/zinc/56/66/34/1375566634.db2.gz SLBHHFVIYRRFFA-AFMYVXGZSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001228559940 1375598355 /nfs/dbraw/zinc/59/83/55/1375598355.db2.gz JUUKCHVGDMWSFD-SREVYHEPSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228623454 1375621101 /nfs/dbraw/zinc/62/11/01/1375621101.db2.gz BHJWHUMZVTXQNU-BRWVUGGUSA-N 2 0 325.541 3.027 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132951290 1375667617 /nfs/dbraw/zinc/66/76/17/1375667617.db2.gz YORGHQUQADLZAS-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)c1ccc(C[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001228889037 1375705292 /nfs/dbraw/zinc/70/52/92/1375705292.db2.gz PUNWJBPZMZEOEJ-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133012304 1375710284 /nfs/dbraw/zinc/71/02/84/1375710284.db2.gz QSUNDNARQPXDMS-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001133073896 1375761098 /nfs/dbraw/zinc/76/10/98/1375761098.db2.gz XUEANOXCDNTXMU-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC001229214970 1375789116 /nfs/dbraw/zinc/78/91/16/1375789116.db2.gz SKNJYOFHSSRMNO-KFKAGJAMSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001229288105 1375802741 /nfs/dbraw/zinc/80/27/41/1375802741.db2.gz XCSKXSKCUPVCPE-RTBURBONSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)CCCn2ccnc2C)CC1 ZINC001229616437 1375865300 /nfs/dbraw/zinc/86/53/00/1375865300.db2.gz LIADMQWEEMKPIP-WAYWQWQTSA-N 2 0 346.519 3.299 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)c1ccccc1 ZINC001229651978 1375871896 /nfs/dbraw/zinc/87/18/96/1375871896.db2.gz GIVPUZXTPNLCGL-AQNXPRMDSA-N 2 0 343.515 3.106 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C)c1ccccc1 ZINC001229652949 1375872702 /nfs/dbraw/zinc/87/27/02/1375872702.db2.gz UFBZFHIOZWYQOY-GUDVDZBRSA-N 2 0 331.504 3.105 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001133263231 1375878889 /nfs/dbraw/zinc/87/88/89/1375878889.db2.gz REAXBWKWJQUYQT-RBUKOAKNSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133274495 1375888726 /nfs/dbraw/zinc/88/87/26/1375888726.db2.gz IYMLSAKRKKHALN-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229837202 1375901521 /nfs/dbraw/zinc/90/15/21/1375901521.db2.gz BATMUSVLZOGBHS-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001229860657 1375906640 /nfs/dbraw/zinc/90/66/40/1375906640.db2.gz YEMUZUPODKGOAN-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133360501 1375943582 /nfs/dbraw/zinc/94/35/82/1375943582.db2.gz MPGFLTSYMAMMBL-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001230107609 1375944920 /nfs/dbraw/zinc/94/49/20/1375944920.db2.gz ODDYIPZESZHVTG-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001230431568 1376029417 /nfs/dbraw/zinc/02/94/17/1376029417.db2.gz LLQJGXZTMPEACI-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230538552 1376062262 /nfs/dbraw/zinc/06/22/62/1376062262.db2.gz VVHXZJBLWTYKNG-UHDDOPSISA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21)[NH+](CC)CC ZINC001133683943 1376153707 /nfs/dbraw/zinc/15/37/07/1376153707.db2.gz AWTMMHLGVOCTEQ-OALUTQOASA-N 2 0 349.494 3.029 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)c1cccc(Cl)c1 ZINC001133899542 1376256521 /nfs/dbraw/zinc/25/65/21/1376256521.db2.gz LHLAXAJOSHOLIA-AWEZNQCLSA-N 2 0 339.911 3.085 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1Cl ZINC001133918468 1376264217 /nfs/dbraw/zinc/26/42/17/1376264217.db2.gz VCECFYLLBPCKGF-AWEZNQCLSA-N 2 0 339.911 3.085 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001327194692 1388436449 /nfs/dbraw/zinc/43/64/49/1388436449.db2.gz IGMLTHLUIWEIRZ-KRWDZBQOSA-N 2 0 325.456 3.234 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cnc(C(F)(F)F)cc1Cl)CC2 ZINC001231905032 1376340977 /nfs/dbraw/zinc/34/09/77/1376340977.db2.gz SKSQMDULXCSIEO-UHFFFAOYSA-N 2 0 333.785 3.281 20 0 EGADRP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232014605 1376384450 /nfs/dbraw/zinc/38/44/50/1376384450.db2.gz SHECCGLMRDWKET-AWEZNQCLSA-N 2 0 344.459 3.252 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3c[nH]c4c3cccc4Br)C[C@@H]2C1 ZINC001232017425 1376385595 /nfs/dbraw/zinc/38/55/95/1376385595.db2.gz GFNMQMMIHMZLPC-OCCSQVGLSA-N 2 0 348.288 3.314 20 0 EGADRP C[C@H]1CN(Cc2cc(F)cc(C[NH+](C)C)c2)CC[C@]1(O)C(F)(F)F ZINC001232144646 1376408893 /nfs/dbraw/zinc/40/88/93/1376408893.db2.gz MMXXQWXATDXGHL-BLLLJJGKSA-N 2 0 348.384 3.023 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccnc(C(F)(F)F)c1)CC2 ZINC001232244657 1376423416 /nfs/dbraw/zinc/42/34/16/1376423416.db2.gz SZUBVBWZSXOOAO-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP Fc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001232494195 1376468451 /nfs/dbraw/zinc/46/84/51/1376468451.db2.gz NHYREQZAWHBKIC-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001134520347 1376574936 /nfs/dbraw/zinc/57/49/36/1376574936.db2.gz PGBMMGLHNGNRME-KBPBESRZSA-N 2 0 337.533 3.096 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134524907 1376576305 /nfs/dbraw/zinc/57/63/05/1376576305.db2.gz SRNLXSINEAVDPU-HUUCEWRRSA-N 2 0 339.549 3.342 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(C)c(O)c1 ZINC001233234220 1376595231 /nfs/dbraw/zinc/59/52/31/1376595231.db2.gz OBDOOCAJBWEHHY-UHFFFAOYSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CCC1CCCCC1 ZINC001134611845 1376624842 /nfs/dbraw/zinc/62/48/42/1376624842.db2.gz CRIWXKITEQMEGF-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001134759559 1376704251 /nfs/dbraw/zinc/70/42/51/1376704251.db2.gz SPZULIDJYZCMHL-RTBURBONSA-N 2 0 345.531 3.335 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134767487 1376710375 /nfs/dbraw/zinc/71/03/75/1376710375.db2.gz YSTGBHQMXXFPNQ-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1)[NH2+]CCC(C)(C)C ZINC001134784954 1376718329 /nfs/dbraw/zinc/71/83/29/1376718329.db2.gz YJFOCWOPJWDPEG-SJORKVTESA-N 2 0 348.535 3.217 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1)[NH2+]Cc1ccccc1 ZINC001134887640 1376768861 /nfs/dbraw/zinc/76/88/61/1376768861.db2.gz DPXGOEXPJZFCHU-CVEARBPZSA-N 2 0 336.439 3.021 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891018 1376770179 /nfs/dbraw/zinc/77/01/79/1376770179.db2.gz BKXXOWQZIQDVPT-JKSUJKDBSA-N 2 0 342.487 3.401 20 0 EGADRP CN(C)c1ccnc(Cl)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001234151161 1376778123 /nfs/dbraw/zinc/77/81/23/1376778123.db2.gz PWPFYVUGCSBPMN-UHFFFAOYSA-N 2 0 336.911 3.109 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993474 1376832020 /nfs/dbraw/zinc/83/20/20/1376832020.db2.gz JJDVCOWDJUDHMW-CABCVRRESA-N 2 0 330.476 3.257 20 0 EGADRP FC(F)(F)c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235036765 1376837161 /nfs/dbraw/zinc/83/71/61/1376837161.db2.gz NGOIDGHDTJXMGL-IUODEOHRSA-N 2 0 348.796 3.169 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235338204 1376868500 /nfs/dbraw/zinc/86/85/00/1376868500.db2.gz VQRLBDQTRMLJHN-RTBURBONSA-N 2 0 349.563 3.076 20 0 EGADRP Clc1ccc2c(c1)n[nH]c2C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431228 1376871771 /nfs/dbraw/zinc/87/17/71/1376871771.db2.gz YZWKEQAMFDYYSJ-KGLIPLIRSA-N 2 0 332.879 3.428 20 0 EGADRP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1cccc(C[NH3+])c1)C2 ZINC001235633111 1376881775 /nfs/dbraw/zinc/88/17/75/1376881775.db2.gz PHONAMXWCKMYIE-UHFFFAOYSA-N 2 0 336.483 3.081 20 0 EGADRP Cn1ccc(-c2ccc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)cc2)n1 ZINC001235702626 1376884918 /nfs/dbraw/zinc/88/49/18/1376884918.db2.gz NJKVUAYMQMPBJU-UHFFFAOYSA-N 2 0 338.499 3.299 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102203 1376899406 /nfs/dbraw/zinc/89/94/06/1376899406.db2.gz YLSDHQHQCMPWSW-SJORKVTESA-N 2 0 333.520 3.077 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102202 1376900172 /nfs/dbraw/zinc/90/01/72/1376900172.db2.gz YLSDHQHQCMPWSW-IRXDYDNUSA-N 2 0 333.520 3.077 20 0 EGADRP [NH3+]CCCC[N@@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC001235883907 1376909255 /nfs/dbraw/zinc/90/92/55/1376909255.db2.gz BNJODHMLXIACQC-UHFFFAOYSA-N 2 0 338.908 3.201 20 0 EGADRP Brc1cccc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001235882561 1376909365 /nfs/dbraw/zinc/90/93/65/1376909365.db2.gz NQKMOXTXVYITBK-QGZVFWFLSA-N 2 0 337.305 3.456 20 0 EGADRP COc1cc(OC)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c2ccccc12 ZINC001236005622 1376925778 /nfs/dbraw/zinc/92/57/78/1376925778.db2.gz LKJXTNKNYLHINQ-UHFFFAOYSA-N 2 0 340.467 3.433 20 0 EGADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC001236074522 1376931403 /nfs/dbraw/zinc/93/14/03/1376931403.db2.gz ZSXLYJNYRCNQRH-QGZVFWFLSA-N 2 0 345.874 3.207 20 0 EGADRP c1ccc(Cc2ccc(C[NH+]3CCC(N4CC[NH2+]CC4)CC3)cc2)cc1 ZINC001236129619 1376934779 /nfs/dbraw/zinc/93/47/79/1376934779.db2.gz VVIBHAOVJXSICV-UHFFFAOYSA-N 2 0 349.522 3.147 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180360 1376953681 /nfs/dbraw/zinc/95/36/81/1376953681.db2.gz GDCIYQARQGMLCR-QZTJIDSGSA-N 2 0 345.531 3.242 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135182126 1376955046 /nfs/dbraw/zinc/95/50/46/1376955046.db2.gz YCAMUACKQJFYBI-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3ccccc3C3CCOCC3)C2)CC1 ZINC001237908212 1376989688 /nfs/dbraw/zinc/98/96/88/1376989688.db2.gz HACFEXWSQQXDSC-UHFFFAOYSA-N 2 0 328.500 3.498 20 0 EGADRP Cc1ccc(Cl)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001238570192 1376999368 /nfs/dbraw/zinc/99/93/68/1376999368.db2.gz VTLRENNVMBTZAL-UHFFFAOYSA-N 2 0 325.928 3.354 20 0 EGADRP COc1ccc(-c2ccc(OCC[NH+](C)C)cc2)c(C[NH+](C)C)c1 ZINC001242152810 1377022789 /nfs/dbraw/zinc/02/27/89/1377022789.db2.gz NVVAOCAVNIENCH-UHFFFAOYSA-N 2 0 328.456 3.364 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299524 1377027089 /nfs/dbraw/zinc/02/70/89/1377027089.db2.gz XLEMAFVCKGWQGN-KTYGHDLGSA-N 2 0 335.492 3.184 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)cc1 ZINC001135333901 1377043377 /nfs/dbraw/zinc/04/33/77/1377043377.db2.gz HJKPPVOCBQTRKI-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP c1ccc(Oc2cccc(CC[NH2+][C@@H]3CSC4(C[NH2+]C4)C3)c2)cc1 ZINC001246160061 1377050297 /nfs/dbraw/zinc/05/02/97/1377050297.db2.gz RMKNFXHKEGCDEI-KRWDZBQOSA-N 2 0 340.492 3.459 20 0 EGADRP COc1ccc(Br)cc1CC[NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246158156 1377050387 /nfs/dbraw/zinc/05/03/87/1377050387.db2.gz HLKXDEDMXIZWAD-JJLQDPRZSA-N 2 0 341.293 3.119 20 0 EGADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246293489 1377051063 /nfs/dbraw/zinc/05/10/63/1377051063.db2.gz ROAABCKJEXSNLF-HBFSDRIKSA-N 2 0 330.472 3.193 20 0 EGADRP CC(C)[C@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC[NH2+]1 ZINC001246724923 1377053564 /nfs/dbraw/zinc/05/35/64/1377053564.db2.gz ZWGLDFMVYMYZAW-UKAVVXHISA-N 2 0 343.515 3.339 20 0 EGADRP Fc1ccc(CN([C@@H]2CCC[NH2+]C2)[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001246938792 1377056208 /nfs/dbraw/zinc/05/62/08/1377056208.db2.gz UBGWJFCBWNQNKL-RTBURBONSA-N 2 0 331.479 3.054 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)CC[NH+](C)C ZINC001135371698 1377059553 /nfs/dbraw/zinc/05/95/53/1377059553.db2.gz HRDVUKKZKBLIPK-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135371922 1377059847 /nfs/dbraw/zinc/05/98/47/1377059847.db2.gz KNQFCTQZJROTOE-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001135373091 1377060661 /nfs/dbraw/zinc/06/06/61/1377060661.db2.gz UMWOPNCITNQTRQ-IAGOWNOFSA-N 2 0 333.520 3.135 20 0 EGADRP Clc1ccc(-c2noc([C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247908320 1377065303 /nfs/dbraw/zinc/06/53/03/1377065303.db2.gz YHPGBASSAUWNCE-AWEZNQCLSA-N 2 0 346.862 3.321 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252395194 1377089344 /nfs/dbraw/zinc/08/93/44/1377089344.db2.gz YEJHXEUIPLHLGV-LJQANCHMSA-N 2 0 344.499 3.291 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(CCC)cc1 ZINC001135436815 1377096755 /nfs/dbraw/zinc/09/67/55/1377096755.db2.gz ARWNCROHFQPIGF-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3F)CC2)CC1 ZINC001254508615 1377105210 /nfs/dbraw/zinc/10/52/10/1377105210.db2.gz KKWWBJSKNQGXTF-KRWDZBQOSA-N 2 0 337.458 3.003 20 0 EGADRP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254510418 1377105926 /nfs/dbraw/zinc/10/59/26/1377105926.db2.gz OBQFBWRIAKTFTD-UFYCRDLUSA-N 3 0 345.531 3.251 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)[C@H]1CCC[NH+](C)CC1 ZINC001254527987 1377107426 /nfs/dbraw/zinc/10/74/26/1377107426.db2.gz AJQSONYOYFBGMC-JBACZVJFSA-N 2 0 329.532 3.313 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC001135468153 1377107592 /nfs/dbraw/zinc/10/75/92/1377107592.db2.gz MZTSKVHEJGYKMJ-QZTJIDSGSA-N 2 0 345.531 3.100 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471264 1377109109 /nfs/dbraw/zinc/10/91/09/1377109109.db2.gz JKANMSHMONMTCR-ZWKOTPCHSA-N 2 0 347.547 3.467 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)C(C)C ZINC001135474650 1377110170 /nfs/dbraw/zinc/11/01/70/1377110170.db2.gz WONBGBDBFXGYAU-QNOJTCODSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCCC1 ZINC001135475480 1377110339 /nfs/dbraw/zinc/11/03/39/1377110339.db2.gz BDUFOHLMQRDGQC-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCC1CCCC1 ZINC001135481801 1377114109 /nfs/dbraw/zinc/11/41/09/1377114109.db2.gz XQOWVCZOIAQMQK-SJORKVTESA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481560 1377114116 /nfs/dbraw/zinc/11/41/16/1377114116.db2.gz VMTLWIYTVRAIEI-RBUKOAKNSA-N 2 0 345.531 3.000 20 0 EGADRP CC[NH+](CC)CCCC[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518307 1377117107 /nfs/dbraw/zinc/11/71/07/1377117107.db2.gz HNLAVYWTXYCNGS-UHFFFAOYSA-N 2 0 326.525 3.410 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258570322 1377117836 /nfs/dbraw/zinc/11/78/36/1377117836.db2.gz MGQFSQCNRYGWTD-GPJFCIFZSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614754 1377162928 /nfs/dbraw/zinc/16/29/28/1377162928.db2.gz ZTJYIAKTTKZFMK-HOTGVXAUSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675629 1377180972 /nfs/dbraw/zinc/18/09/72/1377180972.db2.gz JLMPAVXLNCILOL-IAGOWNOFSA-N 2 0 331.504 3.201 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823519 1377222397 /nfs/dbraw/zinc/22/23/97/1377222397.db2.gz BUMOMOYIGBKMRU-MSOLQXFVSA-N 2 0 339.568 3.416 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827063 1377223496 /nfs/dbraw/zinc/22/34/96/1377223496.db2.gz PNIMBXOZMFKMGF-DLBZAZTESA-N 2 0 339.568 3.416 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135861860 1377238773 /nfs/dbraw/zinc/23/87/73/1377238773.db2.gz YIUVIMHLCQJOAX-RBUKOAKNSA-N 2 0 347.547 3.224 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135861861 1377238824 /nfs/dbraw/zinc/23/88/24/1377238824.db2.gz YIUVIMHLCQJOAX-RTBURBONSA-N 2 0 347.547 3.224 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901174 1377255746 /nfs/dbraw/zinc/25/57/46/1377255746.db2.gz FHAUUONEYJBRNN-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC001135962648 1377278478 /nfs/dbraw/zinc/27/84/78/1377278478.db2.gz ALOFDSHQABQZMU-HXUWFJFHSA-N 2 0 345.531 3.267 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135974392 1377283151 /nfs/dbraw/zinc/28/31/51/1377283151.db2.gz OGOATVBWGASBKH-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135976320 1377284749 /nfs/dbraw/zinc/28/47/49/1377284749.db2.gz IXJLDHVKXGNCKJ-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001135995413 1377291696 /nfs/dbraw/zinc/29/16/96/1377291696.db2.gz FAPNTANWPVOKMH-RTBURBONSA-N 2 0 347.547 3.224 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995548 1377292300 /nfs/dbraw/zinc/29/23/00/1377292300.db2.gz HRTAJGNQQMZXNV-XRZRDHLVSA-N 2 0 325.541 3.338 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001266373865 1377298581 /nfs/dbraw/zinc/29/85/81/1377298581.db2.gz MZVWMQUEVWFZHA-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001266546869 1377330217 /nfs/dbraw/zinc/33/02/17/1377330217.db2.gz YLOAGFIVEUFFQL-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001136465384 1377395325 /nfs/dbraw/zinc/39/53/25/1377395325.db2.gz MAZNRHSBRPELOU-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001267090248 1377411827 /nfs/dbraw/zinc/41/18/27/1377411827.db2.gz IAJNMOZXFGHGOO-UXHICEINSA-N 2 0 345.531 3.108 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001136759397 1377420548 /nfs/dbraw/zinc/42/05/48/1377420548.db2.gz DMJYYGLUEPVTDD-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP COc1ncc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001137001686 1377454118 /nfs/dbraw/zinc/45/41/18/1377454118.db2.gz VBONPFAFUTYNIX-CALCHBBNSA-N 2 0 343.496 3.024 20 0 EGADRP COC(=O)c1ccc(OC)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001137247914 1377504148 /nfs/dbraw/zinc/50/41/48/1377504148.db2.gz ZDZLMJXNVSIRMX-UHFFFAOYSA-N 2 0 348.487 3.034 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001327378255 1388508799 /nfs/dbraw/zinc/50/87/99/1388508799.db2.gz WZJWAFMEXMDLRZ-UHFFFAOYSA-N 2 0 331.504 3.128 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)C(=O)CCC[NH+](C)C ZINC001272093128 1377656097 /nfs/dbraw/zinc/65/60/97/1377656097.db2.gz NBNAOQNGMUOLEL-UHFFFAOYSA-N 2 0 347.547 3.216 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(O)c2ccccc12 ZINC001138061535 1377672414 /nfs/dbraw/zinc/67/24/14/1377672414.db2.gz OGXDPOZZLBUWTA-UHFFFAOYSA-N 2 0 343.515 3.251 20 0 EGADRP CCCn1ncc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138634798 1377758524 /nfs/dbraw/zinc/75/85/24/1377758524.db2.gz HXONWVQOCWATQX-HDICACEKSA-N 2 0 344.528 3.227 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)cc1 ZINC001138771835 1377782308 /nfs/dbraw/zinc/78/23/08/1377782308.db2.gz GUDGYZYCXJNKBR-UHFFFAOYSA-N 2 0 344.499 3.352 20 0 EGADRP CCCn1cc(CN2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cn1 ZINC001139038582 1377820686 /nfs/dbraw/zinc/82/06/86/1377820686.db2.gz FUJKLULXWHAOKW-NHCUHLMSSA-N 2 0 338.499 3.165 20 0 EGADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001139100055 1377829651 /nfs/dbraw/zinc/82/96/51/1377829651.db2.gz PXNOJDVYBNAEDD-UXHICEINSA-N 2 0 338.499 3.371 20 0 EGADRP CCOc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1CC ZINC001139623719 1377920085 /nfs/dbraw/zinc/92/00/85/1377920085.db2.gz LZPQGKDYHFDORZ-UHFFFAOYSA-N 2 0 349.563 3.353 20 0 EGADRP CN1CCC([N@H+](C)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001139963987 1377984467 /nfs/dbraw/zinc/98/44/67/1377984467.db2.gz FQRTZORUNBSACL-UHFFFAOYSA-N 2 0 336.277 3.456 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1c[nH]c3cccc(Br)c13)CC2 ZINC001139966415 1377984746 /nfs/dbraw/zinc/98/47/46/1377984746.db2.gz UHAVHASUVAQTAM-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001327468527 1388528329 /nfs/dbraw/zinc/52/83/29/1388528329.db2.gz NHKBVYGLUYREAG-ZWKOTPCHSA-N 2 0 347.528 3.331 20 0 EGADRP Cn1cnc2cc(CN3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc21 ZINC001140507074 1378075299 /nfs/dbraw/zinc/07/52/99/1378075299.db2.gz OSXYFMJMVYCASJ-UHFFFAOYSA-N 2 0 338.499 3.414 20 0 EGADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc21 ZINC001140507736 1378075479 /nfs/dbraw/zinc/07/54/79/1378075479.db2.gz PFAUDQYIDZUKMF-SFHVURJKSA-N 2 0 326.488 3.414 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1)[NH+](C)C ZINC001272608735 1378075793 /nfs/dbraw/zinc/07/57/93/1378075793.db2.gz WGZTWDICFDVOEF-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140684193 1378114294 /nfs/dbraw/zinc/11/42/94/1378114294.db2.gz GYTNPSNNDDPORA-MOPGFXCFSA-N 2 0 340.467 3.116 20 0 EGADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2cc(Br)cnc12 ZINC001275164548 1378136314 /nfs/dbraw/zinc/13/63/14/1378136314.db2.gz NQWHPEVNCQOJOH-AGUYFDCRSA-N 2 0 349.276 3.040 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc3ccsc3c1)CC2 ZINC001275533300 1378141352 /nfs/dbraw/zinc/14/13/52/1378141352.db2.gz ZZJATHRKCSITQE-UHFFFAOYSA-N 2 0 343.540 3.361 20 0 EGADRP CS[C@H](C)CC[N@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276470764 1378174179 /nfs/dbraw/zinc/17/41/79/1378174179.db2.gz RZOPLRIDSFTIFX-ZACQAIPSSA-N 2 0 349.544 3.073 20 0 EGADRP C[N@@H+]1CCC2(C1)CCN(C[C@H]1CCCC[NH+]1Cc1ccccc1)CC2 ZINC001276491898 1378175888 /nfs/dbraw/zinc/17/58/88/1378175888.db2.gz ODKSVWNNJGGEHH-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c1 ZINC001276577084 1378180453 /nfs/dbraw/zinc/18/04/53/1378180453.db2.gz SVKWHCGGXHUKSJ-UHFFFAOYSA-N 2 0 345.506 3.338 20 0 EGADRP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001140962102 1378194199 /nfs/dbraw/zinc/19/41/99/1378194199.db2.gz ZWTUKEYMYSAHOG-CABCVRRESA-N 2 0 328.378 3.277 20 0 EGADRP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001140964963 1378196163 /nfs/dbraw/zinc/19/61/63/1378196163.db2.gz AMPTXDAPGVEULB-UHFFFAOYSA-N 2 0 328.378 3.421 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001140974322 1378197701 /nfs/dbraw/zinc/19/77/01/1378197701.db2.gz ZRWWHOWYUOGJCA-FQEVSTJZSA-N 2 0 336.483 3.171 20 0 EGADRP Cc1ncoc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001141056771 1378223447 /nfs/dbraw/zinc/22/34/47/1378223447.db2.gz DMWXHPUJTFRTCD-MOPGFXCFSA-N 2 0 325.456 3.327 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001277537689 1378234003 /nfs/dbraw/zinc/23/40/03/1378234003.db2.gz JTECPUDIGGBOTO-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP COc1ccc(C(F)(F)F)cc1CN1CC2(C1)CC[NH+](C)CC2 ZINC001141203547 1378268737 /nfs/dbraw/zinc/26/87/37/1378268737.db2.gz OBEYGNMEPNPDMN-UHFFFAOYSA-N 2 0 328.378 3.242 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001141284565 1378291074 /nfs/dbraw/zinc/29/10/74/1378291074.db2.gz DDPGOFBITHNPTK-PMACEKPBSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4cc(Br)ccc34)C2)C1 ZINC001142404825 1378440123 /nfs/dbraw/zinc/44/01/23/1378440123.db2.gz ICBKDKOADGKTLF-QGZVFWFLSA-N 2 0 348.288 3.458 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccnc5[nH]ccc54)C[C@H]3C2)cc1 ZINC001142873351 1378499815 /nfs/dbraw/zinc/49/98/15/1378499815.db2.gz NFLQCBAMWOQBHK-WOJBJXKFSA-N 2 0 346.478 3.435 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2c(C)cc(OC)cc2C)CC1 ZINC001142935321 1378512848 /nfs/dbraw/zinc/51/28/48/1378512848.db2.gz XXGACNJGOJBURX-UHFFFAOYSA-N 2 0 347.547 3.162 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)CC(C)C ZINC001144190009 1378695689 /nfs/dbraw/zinc/69/56/89/1378695689.db2.gz PYKSGTHVXLITQZ-XSLAGTTESA-N 2 0 325.541 3.120 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCCC1)[NH2+]CCCCCF ZINC001146398286 1378834326 /nfs/dbraw/zinc/83/43/26/1378834326.db2.gz NMCAPHSAUBXTLP-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001146537680 1378863179 /nfs/dbraw/zinc/86/31/79/1378863179.db2.gz ZVLKWNFAVBTNJR-IAGOWNOFSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCC1CC1)C2)[NH+](C)C ZINC001327685802 1388581311 /nfs/dbraw/zinc/58/13/11/1388581311.db2.gz RKSVQBQQRDAJCV-FQEVSTJZSA-N 2 0 343.515 3.005 20 0 EGADRP CC/C=C/CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327686282 1388582422 /nfs/dbraw/zinc/58/24/22/1388582422.db2.gz YSGWQODGFKYBBS-AQKVLALTSA-N 2 0 343.515 3.315 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001147358331 1379008131 /nfs/dbraw/zinc/00/81/31/1379008131.db2.gz GFLBUJWMZNDMSO-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001147359728 1379008983 /nfs/dbraw/zinc/00/89/83/1379008983.db2.gz URHKYPGOYQYZLG-UXHICEINSA-N 2 0 343.515 3.034 20 0 EGADRP CCC/C=C/CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001147456947 1379025431 /nfs/dbraw/zinc/02/54/31/1379025431.db2.gz AHDWKWCYVHVHGP-UCFODXPJSA-N 2 0 331.504 3.132 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CCCC1CCCC1)c1ccccc1 ZINC001147456980 1379025578 /nfs/dbraw/zinc/02/55/78/1379025578.db2.gz BFSVTSDVRSKHGY-FQEVSTJZSA-N 2 0 345.531 3.356 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541334 1379039117 /nfs/dbraw/zinc/03/91/17/1379039117.db2.gz MLZREPQVURUSPN-OALUTQOASA-N 2 0 349.563 3.076 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147716302 1379064423 /nfs/dbraw/zinc/06/44/23/1379064423.db2.gz DNEPUKYGQULGRF-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001147774160 1379076370 /nfs/dbraw/zinc/07/63/70/1379076370.db2.gz RPYMPTXDKUTDBE-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001283691227 1379120387 /nfs/dbraw/zinc/12/03/87/1379120387.db2.gz AQRZKZOMCGUJCD-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001284005940 1379357128 /nfs/dbraw/zinc/35/71/28/1379357128.db2.gz YNWOUGJFBXSJAS-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001284005943 1379357167 /nfs/dbraw/zinc/35/71/67/1379357167.db2.gz YNWOUGJFBXSJAS-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001284214042 1379603069 /nfs/dbraw/zinc/60/30/69/1379603069.db2.gz ZXMGIYHQUPLHJU-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)c1ccccc1C[NH+](C)C)c1ccccc1 ZINC001152384677 1379923867 /nfs/dbraw/zinc/92/38/67/1379923867.db2.gz XDXPQOGBFSOVRJ-HXUWFJFHSA-N 2 0 339.483 3.219 20 0 EGADRP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313814 1380053072 /nfs/dbraw/zinc/05/30/72/1380053072.db2.gz XOVOASYUORGVRO-APWZRJJASA-N 2 0 349.494 3.025 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824193 1380137475 /nfs/dbraw/zinc/13/74/75/1380137475.db2.gz OHPVCSRFDVJBBR-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116010 1380211950 /nfs/dbraw/zinc/21/19/50/1380211950.db2.gz BUJQZDYGMLUHST-OAHLLOKOSA-N 2 0 342.487 3.273 20 0 EGADRP CC[N@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167566 1380219738 /nfs/dbraw/zinc/21/97/38/1380219738.db2.gz KUWPECSOOWCZEW-OAHLLOKOSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464510 1380283011 /nfs/dbraw/zinc/28/30/11/1380283011.db2.gz NOEDPOBXEWPYEB-IAGOWNOFSA-N 2 0 343.531 3.216 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580665 1380310235 /nfs/dbraw/zinc/31/02/35/1380310235.db2.gz ZLIIYGWBQPJZPQ-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580292 1380310264 /nfs/dbraw/zinc/31/02/64/1380310264.db2.gz SGUVEJGQPLPYID-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1=CCCCC1)[NH+](CC)CC ZINC001155175596 1380419664 /nfs/dbraw/zinc/41/96/64/1380419664.db2.gz YQGUMKPVBOVBTG-IEBWSBKVSA-N 2 0 337.552 3.434 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2nc(Cl)nc3c2C[N@H+](C)CC3)c1 ZINC001155346677 1380440408 /nfs/dbraw/zinc/44/04/08/1380440408.db2.gz LNLCLFFMMCOQEJ-LLVKDONJSA-N 2 0 341.846 3.082 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839189 1380497937 /nfs/dbraw/zinc/49/79/37/1380497937.db2.gz QRNRITMUITUGSZ-QGZVFWFLSA-N 2 0 333.520 3.235 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CCC1 ZINC001155878122 1380501814 /nfs/dbraw/zinc/50/18/14/1380501814.db2.gz UIQCTAYRSQGVQP-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994281 1380511696 /nfs/dbraw/zinc/51/16/96/1380511696.db2.gz PHSLBOIJTJJRND-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131094 1380529176 /nfs/dbraw/zinc/52/91/76/1380529176.db2.gz DERXOZJKDFWLRR-QGZVFWFLSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](Cc1ccccc1C1CC1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193542 1380539433 /nfs/dbraw/zinc/53/94/33/1380539433.db2.gz BYGLWQQOGIMXLP-QGZVFWFLSA-N 2 0 345.531 3.232 20 0 EGADRP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200877 1380541571 /nfs/dbraw/zinc/54/15/71/1380541571.db2.gz SCMKIMTYRCDTAD-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CN(C)c1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001156315371 1380556968 /nfs/dbraw/zinc/55/69/68/1380556968.db2.gz BEPAKDYBHQDBSE-DFQSSKMNSA-N 2 0 336.483 3.470 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156960957 1380738571 /nfs/dbraw/zinc/73/85/71/1380738571.db2.gz AMTDHASWLWMDJF-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157108687 1380776774 /nfs/dbraw/zinc/77/67/74/1380776774.db2.gz ANXMKJCQUCHARM-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138263 1380783928 /nfs/dbraw/zinc/78/39/28/1380783928.db2.gz QUNBWQPQAOYJQW-DLBZAZTESA-N 2 0 333.520 3.235 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001157894198 1381063984 /nfs/dbraw/zinc/06/39/84/1381063984.db2.gz UXMNCJSUMIKIGN-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP O=C([C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971256 1381087318 /nfs/dbraw/zinc/08/73/18/1381087318.db2.gz WREDJLMMPUNLFZ-ACRUOGEOSA-N 2 0 349.478 3.043 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc1 ZINC001157987734 1381093976 /nfs/dbraw/zinc/09/39/76/1381093976.db2.gz PYNJGNGDXKCHGV-PKOBYXMFSA-N 2 0 339.487 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001158012078 1381103233 /nfs/dbraw/zinc/10/32/33/1381103233.db2.gz CWEBPCIZQWBUNC-SFHVURJKSA-N 2 0 335.455 3.426 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001158079825 1381122555 /nfs/dbraw/zinc/12/25/55/1381122555.db2.gz SQZWDTFDSSOTLA-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227474 1381166321 /nfs/dbraw/zinc/16/63/21/1381166321.db2.gz JIKYDDODNIVQSW-LJQANCHMSA-N 2 0 342.487 3.451 20 0 EGADRP Cc1cc(N2CCCC2)nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001158259219 1381175922 /nfs/dbraw/zinc/17/59/22/1381175922.db2.gz GGPHAEHXUPWBPQ-HNAYVOBHSA-N 2 0 331.508 3.341 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CC2)C1 ZINC001158398378 1381230606 /nfs/dbraw/zinc/23/06/06/1381230606.db2.gz VTZWSSXFINHOOE-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158473914 1381256403 /nfs/dbraw/zinc/25/64/03/1381256403.db2.gz QEGFABPCMYESGT-CQQBRXBZSA-N 2 0 335.536 3.140 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1)CC(C)(C)C ZINC001158481140 1381261033 /nfs/dbraw/zinc/26/10/33/1381261033.db2.gz ZXGMCEXAWIDZHU-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480557 1381261478 /nfs/dbraw/zinc/26/14/78/1381261478.db2.gz NYJVOJSPFQAPPD-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158624497 1381327573 /nfs/dbraw/zinc/32/75/73/1381327573.db2.gz DEKRNJMOYGFAAE-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCCCF ZINC001158768135 1381390396 /nfs/dbraw/zinc/39/03/96/1381390396.db2.gz KFDLITVZWUTPFS-GOSISDBHSA-N 2 0 343.531 3.171 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccccc1C ZINC001158787215 1381398440 /nfs/dbraw/zinc/39/84/40/1381398440.db2.gz NIXAGKPPJYMWDR-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccnc2OC2CC[NH2+]CC2)c1F ZINC001159247785 1381743238 /nfs/dbraw/zinc/74/32/38/1381743238.db2.gz ILKUMGOQJDGCJS-UHFFFAOYSA-N 2 0 344.434 3.157 20 0 EGADRP CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1 ZINC001159334356 1381767707 /nfs/dbraw/zinc/76/77/07/1381767707.db2.gz UJAFOTZDTYCVOR-GOSISDBHSA-N 2 0 340.471 3.454 20 0 EGADRP C[C@H]1C[C@@H](c2ccncc2Nc2cccc(OCC[NH3+])c2)C[C@@H]([NH3+])C1 ZINC001159389594 1381783738 /nfs/dbraw/zinc/78/37/38/1381783738.db2.gz KYSPXEHUZUHJEQ-XHSDSOJGSA-N 2 0 340.471 3.394 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cn(-c3cc(F)ccn3)c3ccccc23)CC1 ZINC001159459834 1381799716 /nfs/dbraw/zinc/79/97/16/1381799716.db2.gz GKFAQHLUAUTOHM-UHFFFAOYSA-N 2 0 338.430 3.130 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc(OCC[NH3+])cc2)cc1 ZINC001159689830 1381869064 /nfs/dbraw/zinc/86/90/64/1381869064.db2.gz FCQVXMKEYRPMQT-UHFFFAOYSA-N 2 0 329.444 3.098 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC[NH2+]Cc2ccc(C(C)(C)C)cc2)CCC1 ZINC001159853177 1381920424 /nfs/dbraw/zinc/92/04/24/1381920424.db2.gz ACPVTYZVAMCGRE-UHFFFAOYSA-N 2 0 345.531 3.064 20 0 EGADRP Cc1cc(Nc2ccc(OCC3CC[NH2+]CC3)c(F)c2)cc(C)[nH+]1 ZINC001159881440 1381927083 /nfs/dbraw/zinc/92/70/83/1381927083.db2.gz WTVNDVZTCALCBZ-UHFFFAOYSA-N 2 0 329.419 3.381 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001159901955 1381932825 /nfs/dbraw/zinc/93/28/25/1381932825.db2.gz QYWAZYAAVHPURG-HXUWFJFHSA-N 2 0 345.531 3.162 20 0 EGADRP C[NH+](C)CCOc1cccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001159923150 1381937863 /nfs/dbraw/zinc/93/78/63/1381937863.db2.gz PITXEJYLLLNEAS-HXUWFJFHSA-N 2 0 341.455 3.111 20 0 EGADRP [NH3+][C@H]1CCc2c3ccccc3n(-c3ncccc3C[NH+]3CCCC3)c2C1 ZINC001159950734 1381947927 /nfs/dbraw/zinc/94/79/27/1381947927.db2.gz AMCSAAWDKPNZLP-KRWDZBQOSA-N 2 0 346.478 3.437 20 0 EGADRP CC[NH+](CC)CCn1cc(Nc2ccccc2C2=CC[NH2+]CC2)cn1 ZINC001160023131 1381971103 /nfs/dbraw/zinc/97/11/03/1381971103.db2.gz HWQSTMUHDIEBQP-UHFFFAOYSA-N 2 0 339.487 3.345 20 0 EGADRP [NH3+]CCOc1cccc(Nc2cc(F)ccc2OC2CC[NH2+]CC2)c1 ZINC001160135060 1382010435 /nfs/dbraw/zinc/01/04/35/1382010435.db2.gz WJJQWTIPWLJHBF-UHFFFAOYSA-N 2 0 345.418 3.038 20 0 EGADRP C[NH+]1CCC(COc2cccc(F)c2NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001160135640 1382011127 /nfs/dbraw/zinc/01/11/27/1382011127.db2.gz ZMOWFNQYKUZMCA-CVEARBPZSA-N 2 0 345.462 3.366 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001160274491 1382058553 /nfs/dbraw/zinc/05/85/53/1382058553.db2.gz UIMRDDSUQPJCKQ-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(CC)CC)CC1 ZINC001160285911 1382062166 /nfs/dbraw/zinc/06/21/66/1382062166.db2.gz LBUVZHHQUNMGRF-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP c1ccc(C[N@@H+]2CCC=C(Nc3cccc4c3[C@H]3C[NH2+]C[C@H]3O4)C2)cc1 ZINC001160394261 1382092608 /nfs/dbraw/zinc/09/26/08/1382092608.db2.gz GTBZYJMNJAKCNF-GHTZIAJQSA-N 2 0 347.462 3.336 20 0 EGADRP c1cc2c(c(Nc3cccc(C[NH+]4CCCC4)c3)c1)[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394252 1382092848 /nfs/dbraw/zinc/09/28/48/1382092848.db2.gz GLTBIFFPPABAPD-YLJYHZDGSA-N 2 0 335.451 3.474 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160400719 1382094762 /nfs/dbraw/zinc/09/47/62/1382094762.db2.gz WLPOSYCAMQEXCF-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC001160407180 1382096204 /nfs/dbraw/zinc/09/62/04/1382096204.db2.gz YCQWQZDYERPTAM-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467892 1382114764 /nfs/dbraw/zinc/11/47/64/1382114764.db2.gz YPMUQGWWMDQLSK-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCc3noc4ccccc34)c2)CC1 ZINC001160586024 1382148703 /nfs/dbraw/zinc/14/87/03/1382148703.db2.gz FKCGZRHSIQRGNZ-UHFFFAOYSA-N 2 0 338.411 3.308 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593462 1382149460 /nfs/dbraw/zinc/14/94/60/1382149460.db2.gz UXFOWZJKQVSVSG-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788044 1382195939 /nfs/dbraw/zinc/19/59/39/1382195939.db2.gz WRNFKJVOHGUTNK-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786921 1382196304 /nfs/dbraw/zinc/19/63/04/1382196304.db2.gz IDMABVHTYCZGCJ-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001160826957 1382210060 /nfs/dbraw/zinc/21/00/60/1382210060.db2.gz RTFHZJLSKDFNNL-IBGZPJMESA-N 2 0 343.515 3.110 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160834250 1382212695 /nfs/dbraw/zinc/21/26/95/1382212695.db2.gz GJCVUNGFNMKBOR-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001160883887 1382224325 /nfs/dbraw/zinc/22/43/25/1382224325.db2.gz XZOODIYOKBGCPP-HXUWFJFHSA-N 2 0 347.547 3.165 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001160889343 1382225705 /nfs/dbraw/zinc/22/57/05/1382225705.db2.gz JIJDTJJRKMGHAD-OXQOHEQNSA-N 2 0 341.499 3.337 20 0 EGADRP Cc1cc(Cl)ncc1C(F)(F)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160945762 1382246563 /nfs/dbraw/zinc/24/65/63/1382246563.db2.gz KSJOKJIRQHWYRV-UHFFFAOYSA-N 2 0 336.773 3.492 20 0 EGADRP CSc1nc2ccsc2c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160946293 1382246777 /nfs/dbraw/zinc/24/67/77/1382246777.db2.gz ZQHMTODHPGCTIH-UHFFFAOYSA-N 2 0 341.465 3.253 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001160957506 1382250935 /nfs/dbraw/zinc/25/09/35/1382250935.db2.gz SMBXRCDNUMIDKD-YTQUADARSA-N 2 0 345.531 3.119 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](CC=C(C)C)CC2)C1 ZINC001160985509 1382261721 /nfs/dbraw/zinc/26/17/21/1382261721.db2.gz FLWGZXSCENXQIN-HXUWFJFHSA-N 2 0 347.547 3.213 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161036300 1382278721 /nfs/dbraw/zinc/27/87/21/1382278721.db2.gz HNNROGKREPLXRV-SFHVURJKSA-N 2 0 343.515 3.228 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC001161134008 1382314614 /nfs/dbraw/zinc/31/46/14/1382314614.db2.gz YCQWQZDYERPTAM-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP Clc1cccc(C[N@@H+]2CC[C@H](Nc3ccc4c(n3)CC[NH2+]C4)C2)c1 ZINC001161182932 1382329909 /nfs/dbraw/zinc/32/99/09/1382329909.db2.gz LMBBULJUPLEPGP-KRWDZBQOSA-N 2 0 342.874 3.067 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472745 1382418351 /nfs/dbraw/zinc/41/83/51/1382418351.db2.gz ZZYZFDUZRJOCFX-UHFFFAOYSA-N 2 0 343.515 3.156 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC1=CC[N@H+](CC(C)C)CC1)C(C)C ZINC001161491752 1382421715 /nfs/dbraw/zinc/42/17/15/1382421715.db2.gz NBWDJAFQHLCDTH-LJQANCHMSA-N 2 0 337.552 3.147 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)C1 ZINC001161704658 1382484884 /nfs/dbraw/zinc/48/48/84/1382484884.db2.gz DMDRNWJNNJVWLM-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001161750157 1382494754 /nfs/dbraw/zinc/49/47/54/1382494754.db2.gz ZXAPGYVHDPJMLY-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161931357 1382559256 /nfs/dbraw/zinc/55/92/56/1382559256.db2.gz MWQGKDJXQCORRO-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP [NH3+]CCN(c1cccc(N2CC[NH2+]CC2)c1)c1cccc2ccccc21 ZINC001162007736 1382598924 /nfs/dbraw/zinc/59/89/24/1382598924.db2.gz PVJFFBKDJBOTMX-UHFFFAOYSA-N 2 0 346.478 3.346 20 0 EGADRP Cc1ncc(CNc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)s1 ZINC001162163193 1382644982 /nfs/dbraw/zinc/64/49/82/1382644982.db2.gz OYTXZVCTLRCIBB-UHFFFAOYSA-N 2 0 330.501 3.234 20 0 EGADRP COc1cnc(NCCC[NH2+]CCCC[NH3+])c2cc(Cl)ccc12 ZINC001162289858 1382723019 /nfs/dbraw/zinc/72/30/19/1382723019.db2.gz BDSVADYSGSULCO-UHFFFAOYSA-N 2 0 336.867 3.027 20 0 EGADRP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162460774 1382763430 /nfs/dbraw/zinc/76/34/30/1382763430.db2.gz KGHVQYNZKGVNGJ-HIFRSBDPSA-N 2 0 332.492 3.422 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc1 ZINC001162808421 1382880212 /nfs/dbraw/zinc/88/02/12/1382880212.db2.gz JWRLSGHGLQKPCT-SZMVWBNQSA-N 2 0 334.483 3.378 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001162907484 1382911371 /nfs/dbraw/zinc/91/13/71/1382911371.db2.gz CUCGLLRMFKRRFD-MRXNPFEDSA-N 2 0 334.467 3.402 20 0 EGADRP C[NH+](C)CCC(=O)N(CC[NH2+]CCC(C)(C)C)CCc1ccccc1 ZINC001162911472 1382914155 /nfs/dbraw/zinc/91/41/55/1382914155.db2.gz OZTGLAWPBDJDMG-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N[C@H]3CCc4c3cccc4O)c2)CC1 ZINC001163195271 1382989867 /nfs/dbraw/zinc/98/98/67/1382989867.db2.gz NEYMEPHPXVGLJN-SFHVURJKSA-N 2 0 339.439 3.360 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001163242968 1383003676 /nfs/dbraw/zinc/00/36/76/1383003676.db2.gz QRZJAVBPGSZLNH-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP Cc1c(C)n(-c2ccc(N3CC[NH+](C)CC3)cc2)c2ccc(C[NH3+])cc12 ZINC001163761196 1383119152 /nfs/dbraw/zinc/11/91/52/1383119152.db2.gz HWVMLUFITPOBHG-UHFFFAOYSA-N 2 0 348.494 3.458 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001163834276 1383127308 /nfs/dbraw/zinc/12/73/08/1383127308.db2.gz YRDFJCPQZHNYDC-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP Cc1cc(C[NH3+])nn1-c1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001163985866 1383143180 /nfs/dbraw/zinc/14/31/80/1383143180.db2.gz HQARSIASCQGPAK-FQEVSTJZSA-N 2 0 349.482 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001164449585 1383187979 /nfs/dbraw/zinc/18/79/79/1383187979.db2.gz MUVLRKMGSIXPEC-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP O=C(NCCC[NH2+]CC1=CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491300 1383192779 /nfs/dbraw/zinc/19/27/79/1383192779.db2.gz FPVGXCZEDOODDJ-FQEVSTJZSA-N 2 0 347.547 3.380 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001164513639 1383194873 /nfs/dbraw/zinc/19/48/73/1383194873.db2.gz HDFNPCUHYAXNNG-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531222 1383196577 /nfs/dbraw/zinc/19/65/77/1383196577.db2.gz BOIWHYBZBQNSCH-OALUTQOASA-N 2 0 349.563 3.317 20 0 EGADRP Cc1[nH+]c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)cc2[nH]ccc21 ZINC001165270357 1383263444 /nfs/dbraw/zinc/26/34/44/1383263444.db2.gz LZGIFFMBCNTYCY-OAHLLOKOSA-N 2 0 338.377 3.382 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165569269 1383311571 /nfs/dbraw/zinc/31/15/71/1383311571.db2.gz UWIYYBUCAHSSFM-SFFCAUCYSA-N 2 0 349.563 3.483 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165568887 1383311795 /nfs/dbraw/zinc/31/17/95/1383311795.db2.gz OIGCNSHCHDKNMB-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328763751 1388847887 /nfs/dbraw/zinc/84/78/87/1388847887.db2.gz FYNJFYMVNIEJLG-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001165809851 1383348714 /nfs/dbraw/zinc/34/87/14/1383348714.db2.gz QTMAFVKBKHYTSH-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926847 1383366164 /nfs/dbraw/zinc/36/61/64/1383366164.db2.gz GUALLDPZSYOTMF-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2c[nH+]ccc2NC(CC)CC)C1 ZINC001298610951 1383413505 /nfs/dbraw/zinc/41/35/05/1383413505.db2.gz WXSLAJOVPPHVCC-OAHLLOKOSA-N 2 0 332.492 3.165 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1)[NH+](CC)CC ZINC001166439991 1383422451 /nfs/dbraw/zinc/42/24/51/1383422451.db2.gz OJVYRZKABNNLDB-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1 ZINC001166446619 1383423807 /nfs/dbraw/zinc/42/38/07/1383423807.db2.gz CQPACPKKZJHKBS-OALUTQOASA-N 2 0 333.520 3.354 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001298899222 1383442928 /nfs/dbraw/zinc/44/29/28/1383442928.db2.gz ULLBADGIMVPPIU-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001166677405 1383458487 /nfs/dbraw/zinc/45/84/87/1383458487.db2.gz IZZYAXUUCQGTHL-MSOLQXFVSA-N 2 0 345.531 3.309 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166751899 1383471461 /nfs/dbraw/zinc/47/14/61/1383471461.db2.gz ZDZCWBFRIWQEGI-WAYWQWQTSA-N 2 0 345.531 3.003 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(CCNC(=O)CCC[NH+](C)C)CC2)c1 ZINC001166883890 1383494214 /nfs/dbraw/zinc/49/42/14/1383494214.db2.gz YVUHJBIGUSDSOH-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP Cc1c[nH+]c(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)cc1N ZINC001166910371 1383498682 /nfs/dbraw/zinc/49/86/82/1383498682.db2.gz DGHARXMIYLXWKQ-UHFFFAOYSA-N 2 0 325.243 3.244 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167224258 1383569829 /nfs/dbraw/zinc/56/98/29/1383569829.db2.gz IETZTPUZDDLTHW-GOSISDBHSA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001167385648 1383618912 /nfs/dbraw/zinc/61/89/12/1383618912.db2.gz MGRAQHXUXYMJBT-ACBHZAAOSA-N 2 0 349.563 3.172 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426749 1383630666 /nfs/dbraw/zinc/63/06/66/1383630666.db2.gz YFWMTAFEJYDRBT-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001167610687 1383689081 /nfs/dbraw/zinc/68/90/81/1383689081.db2.gz WGHZVMPWHAZCII-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001167620763 1383690267 /nfs/dbraw/zinc/69/02/67/1383690267.db2.gz SKKZFLNJBKKBMH-ROUUACIJSA-N 2 0 331.504 3.108 20 0 EGADRP CCCC[NH+](CCCC)CCNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001167734586 1383724926 /nfs/dbraw/zinc/72/49/26/1383724926.db2.gz KDHMTWJVDBMARY-UHFFFAOYSA-N 2 0 347.551 3.148 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001167812349 1383746652 /nfs/dbraw/zinc/74/66/52/1383746652.db2.gz MQGABUWDGLEBJU-GOSISDBHSA-N 2 0 345.531 3.356 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001167825964 1383750407 /nfs/dbraw/zinc/75/04/07/1383750407.db2.gz LVPPMCZXKFQOPF-RYQLBKOJSA-N 2 0 349.544 3.438 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001167833546 1383753065 /nfs/dbraw/zinc/75/30/65/1383753065.db2.gz CGGJFHJNTADTJX-QUCCMNQESA-N 2 0 334.504 3.277 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2cccc(OC)n2)C1 ZINC001167834121 1383753222 /nfs/dbraw/zinc/75/32/22/1383753222.db2.gz HOQGOSNEXZREHN-QZTJIDSGSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC001167836492 1383755367 /nfs/dbraw/zinc/75/53/67/1383755367.db2.gz DYZXYOGIMIVVRO-MRXNPFEDSA-N 2 0 338.927 3.368 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971588 1383782261 /nfs/dbraw/zinc/78/22/61/1383782261.db2.gz ZTZHNFLSXHNGOW-ASJDWODUSA-N 2 0 328.500 3.239 20 0 EGADRP COC(=O)C1(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC001168009900 1383795761 /nfs/dbraw/zinc/79/57/61/1383795761.db2.gz IKXMDDWBMDTLKZ-IRXDYDNUSA-N 2 0 344.499 3.361 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168013582 1383797133 /nfs/dbraw/zinc/79/71/33/1383797133.db2.gz IELMBHUHWLTFKZ-HGKCTWBKSA-N 2 0 325.456 3.318 20 0 EGADRP C[C@@H]1CC([NH2+]Cc2cc[nH]c(=O)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014129 1383797420 /nfs/dbraw/zinc/79/74/20/1383797420.db2.gz KGBAQYFDHMNUMW-HZPDHXFCSA-N 2 0 325.456 3.318 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[NH+]3CCC2CC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062224 1383806409 /nfs/dbraw/zinc/80/64/09/1383806409.db2.gz JRKCALSXPFFDOQ-RMFSNUHRSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]1CO[C@@H]2C[N@@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001168065986 1383809706 /nfs/dbraw/zinc/80/97/06/1383809706.db2.gz ZNFCWXOZCNHROY-ZHOIUHGQSA-N 2 0 328.500 3.395 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001168162159 1383829702 /nfs/dbraw/zinc/82/97/02/1383829702.db2.gz DZHVVPOWOCIXFA-RTBURBONSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)[C@](O)(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC001168265983 1383856612 /nfs/dbraw/zinc/85/66/12/1383856612.db2.gz ZEQDOVCRPHNVHE-YUXAGFNASA-N 2 0 342.527 3.479 20 0 EGADRP COc1ccc2c(c1)C[C@@H](N(c1cc[nH+]cc1C)C1CC[NH2+]CC1)C2 ZINC001168291404 1383865175 /nfs/dbraw/zinc/86/51/75/1383865175.db2.gz LJHJTDCUBHKOOD-IBGZPJMESA-N 2 0 337.467 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC2(C[NH2+]CC3CCC3)CC2)c1 ZINC001168302289 1383867557 /nfs/dbraw/zinc/86/75/57/1383867557.db2.gz NGJRERYBCCWNRI-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320635 1383872848 /nfs/dbraw/zinc/87/28/48/1383872848.db2.gz HTCPIODFFZNZHD-SFHVURJKSA-N 2 0 345.531 3.272 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001168323797 1383873160 /nfs/dbraw/zinc/87/31/60/1383873160.db2.gz CPUFJYIDUDPKRR-WCHWRFHJSA-N 2 0 327.516 3.066 20 0 EGADRP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168328836 1383874627 /nfs/dbraw/zinc/87/46/27/1383874627.db2.gz DAYBZRFEKPZHQE-ACBHZAAOSA-N 2 0 330.472 3.483 20 0 EGADRP C(C1CC1)[NH+]1CCC(NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001168366533 1383884553 /nfs/dbraw/zinc/88/45/53/1383884553.db2.gz VGGGHLPQJAXNPF-UHFFFAOYSA-N 2 0 333.564 3.495 20 0 EGADRP Fc1cccc(CC2([NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)c1 ZINC001168368305 1383885257 /nfs/dbraw/zinc/88/52/57/1383885257.db2.gz HICQYAKAQXNIBZ-UHFFFAOYSA-N 2 0 346.490 3.381 20 0 EGADRP c1ccc2c(c1)CCOC21CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387558 1383892109 /nfs/dbraw/zinc/89/21/09/1383892109.db2.gz KFIFLKMBMYJNCL-UHFFFAOYSA-N 2 0 340.511 3.425 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168454322 1383910151 /nfs/dbraw/zinc/91/01/51/1383910151.db2.gz FZWXGTPATJIAIB-GOSISDBHSA-N 2 0 337.552 3.175 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC001168582788 1383942012 /nfs/dbraw/zinc/94/20/12/1383942012.db2.gz GZRXCUWLWXOPMV-UYAOXDASSA-N 2 0 332.488 3.378 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168592120 1383944007 /nfs/dbraw/zinc/94/40/07/1383944007.db2.gz XVGNMXWVHALLST-UYAOXDASSA-N 2 0 332.488 3.379 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1)C(C)C ZINC001168653253 1383959213 /nfs/dbraw/zinc/95/92/13/1383959213.db2.gz PGYGOUDAGTUISB-MJGOQNOKSA-N 2 0 333.520 3.210 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168666904 1383964836 /nfs/dbraw/zinc/96/48/36/1383964836.db2.gz MJUVPIVIIVYNAL-DOJUMQAQSA-N 2 0 325.541 3.195 20 0 EGADRP COC(=O)C1(C)CCC([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001168750069 1383992104 /nfs/dbraw/zinc/99/21/04/1383992104.db2.gz DXIJETSBOOJVER-FDYSRKEFSA-N 2 0 332.488 3.391 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001168806219 1384013510 /nfs/dbraw/zinc/01/35/10/1384013510.db2.gz KFNIBZWXQSSQDA-YJBOKZPZSA-N 2 0 347.503 3.236 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168806270 1384013926 /nfs/dbraw/zinc/01/39/26/1384013926.db2.gz KTIOMMOYOULHJH-HZPDHXFCSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168807250 1384014855 /nfs/dbraw/zinc/01/48/55/1384014855.db2.gz NRJAOZZFUFEADN-HZPDHXFCSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001307748633 1384025468 /nfs/dbraw/zinc/02/54/68/1384025468.db2.gz HOVYDPBZAHATBR-KRWDZBQOSA-N 2 0 341.540 3.488 20 0 EGADRP CO[C@H](CC(C)C)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001307759068 1384027720 /nfs/dbraw/zinc/02/77/20/1384027720.db2.gz WHFFDBBIPSQRSS-QGZVFWFLSA-N 2 0 327.472 3.418 20 0 EGADRP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001169077350 1384103742 /nfs/dbraw/zinc/10/37/42/1384103742.db2.gz FRTNFQRVSZHOIO-QFIPXVFZSA-N 2 0 343.559 3.356 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]13CCC[C@@H]1N(C(=O)OC(C)(C)C)CC3)C2 ZINC001169096899 1384106472 /nfs/dbraw/zinc/10/64/72/1384106472.db2.gz ZLWUNMOJUQCHJM-YPLULLRNSA-N 2 0 349.519 3.133 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)C2 ZINC001169113893 1384108903 /nfs/dbraw/zinc/10/89/03/1384108903.db2.gz VDUAMNDWYMOFLW-JONQDZQNSA-N 2 0 339.524 3.141 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001169118053 1384109375 /nfs/dbraw/zinc/10/93/75/1384109375.db2.gz CMUMPAVQDDLAKY-ACDBMABISA-N 2 0 346.490 3.380 20 0 EGADRP C[NH+](C)C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125231 1384110285 /nfs/dbraw/zinc/11/02/85/1384110285.db2.gz WTIHCIAAVIWWQB-KBGRMDLVSA-N 2 0 345.575 3.348 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CCC2CCCCCC2)CC1 ZINC001169127602 1384111454 /nfs/dbraw/zinc/11/14/54/1384111454.db2.gz QZDCGOLRAMXVIC-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+]1CCN(c2ccc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2)CC1 ZINC001169143026 1384113482 /nfs/dbraw/zinc/11/34/82/1384113482.db2.gz JAVYXUGVVIIMFJ-WIYYLYMNSA-N 2 0 344.547 3.394 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(CCC[NH+]3Cc3ccccc3)C1)C2 ZINC001169156415 1384116650 /nfs/dbraw/zinc/11/66/50/1384116650.db2.gz XQPXHVVKWBOOOB-CBPXPLCBSA-N 2 0 339.527 3.352 20 0 EGADRP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169162029 1384117806 /nfs/dbraw/zinc/11/78/06/1384117806.db2.gz RRNDZLUFVLLOAI-MANSERQUSA-N 2 0 328.456 3.235 20 0 EGADRP CCCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC001308777750 1384149522 /nfs/dbraw/zinc/14/95/22/1384149522.db2.gz OCLJWGDRTSWKFK-TYPHKJRUSA-N 2 0 330.516 3.354 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001169478329 1384151715 /nfs/dbraw/zinc/15/17/15/1384151715.db2.gz PUJHCWTYBFINMN-SFHVURJKSA-N 2 0 345.531 3.230 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001308896528 1384157648 /nfs/dbraw/zinc/15/76/48/1384157648.db2.gz BDVLNGJMBRFAIE-NQIIRXRSSA-N 3 0 329.532 3.076 20 0 EGADRP C[C@H](C[NH2+]C[C@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC001308966177 1384162841 /nfs/dbraw/zinc/16/28/41/1384162841.db2.gz OJYPZJPHUCTCJK-CJNGLKHVSA-N 2 0 337.305 3.484 20 0 EGADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169746164 1384181843 /nfs/dbraw/zinc/18/18/43/1384181843.db2.gz QUAKPYQXTQHEMZ-VAMGGRTRSA-N 2 0 343.515 3.272 20 0 EGADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169902455 1384196580 /nfs/dbraw/zinc/19/65/80/1384196580.db2.gz YKTWQPIPONZHOR-IBGZPJMESA-N 2 0 330.472 3.058 20 0 EGADRP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)C1 ZINC001170137807 1384245713 /nfs/dbraw/zinc/24/57/13/1384245713.db2.gz OUMWPOYQCCPGOF-MISYRCLQSA-N 2 0 343.515 3.326 20 0 EGADRP COCC[N@H+](C)Cc1ccnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001170451685 1384322353 /nfs/dbraw/zinc/32/23/53/1384322353.db2.gz WICKFIJFLYABHQ-UHFFFAOYSA-N 2 0 348.535 3.223 20 0 EGADRP CC[C@H]1CC([NH2+]CCC[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170460117 1384324896 /nfs/dbraw/zinc/32/48/96/1384324896.db2.gz QGJKGDHZZXYJOY-IRXDYDNUSA-N 2 0 341.540 3.484 20 0 EGADRP CCCCCC[C@@H](CC)[NH2+]CCCOCCOCCOCCC[NH3+] ZINC001170577979 1384345790 /nfs/dbraw/zinc/34/57/90/1384345790.db2.gz DLCSOSAUFHXLLT-LJQANCHMSA-N 2 0 346.556 3.114 20 0 EGADRP COc1ccccc1CC1([NH3+])CC[NH+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170736814 1384375438 /nfs/dbraw/zinc/37/54/38/1384375438.db2.gz CLOILPMSHAZZBH-NNZMDNLPSA-N 2 0 328.500 3.466 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769955 1384383034 /nfs/dbraw/zinc/38/30/34/1384383034.db2.gz QUBFOYFSJVMNOJ-PXUDHTSWSA-N 2 0 343.943 3.268 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170817752 1384390772 /nfs/dbraw/zinc/39/07/72/1384390772.db2.gz OCEDVNYTYDHUTJ-XLIONFOSSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCCC[NH2+]CCCC(C)(C)C)c1ccccc1 ZINC001170821333 1384391961 /nfs/dbraw/zinc/39/19/61/1384391961.db2.gz YGSCRLMPAWGECP-NRFANRHFSA-N 2 0 347.547 3.386 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170846927 1384397798 /nfs/dbraw/zinc/39/77/98/1384397798.db2.gz BMPDNHYIAIOIOW-SJORKVTESA-N 2 0 337.305 3.380 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001170872406 1384402693 /nfs/dbraw/zinc/40/26/93/1384402693.db2.gz WVUIECWZWRAWBO-YTQUADARSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]Cc1ccccc1C ZINC001170876335 1384403048 /nfs/dbraw/zinc/40/30/48/1384403048.db2.gz IISCGZQJQBYIMG-UHFFFAOYSA-N 2 0 347.547 3.493 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CCCCCF ZINC001170876288 1384403103 /nfs/dbraw/zinc/40/31/03/1384403103.db2.gz FYXCGJUEDMZTOV-UHFFFAOYSA-N 2 0 331.520 3.124 20 0 EGADRP CC(C)(C(=O)N1CC[NH+](CC2CCCCCC2)CC1)[NH+]1CCCCC1 ZINC001313444801 1384423673 /nfs/dbraw/zinc/42/36/73/1384423673.db2.gz JVPBMPUKQUXJPF-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000599 1384427669 /nfs/dbraw/zinc/42/76/69/1384427669.db2.gz KRDRQJPCPUXHFS-IBGZPJMESA-N 2 0 347.522 3.033 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CCc4cccc(F)c4C3)CC2)cc[nH+]1 ZINC001171013803 1384429698 /nfs/dbraw/zinc/42/96/98/1384429698.db2.gz VOKASGOONYHTQF-KRWDZBQOSA-N 2 0 325.431 3.209 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171069312 1384440839 /nfs/dbraw/zinc/44/08/39/1384440839.db2.gz OUNAAVHQXIVGHM-WMZOPIPTSA-N 2 0 343.531 3.121 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171069311 1384440902 /nfs/dbraw/zinc/44/09/02/1384440902.db2.gz OUNAAVHQXIVGHM-SJLPKXTDSA-N 2 0 343.531 3.121 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001171160288 1384457421 /nfs/dbraw/zinc/45/74/21/1384457421.db2.gz FOLBXZYNIAEFKI-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246991 1384477627 /nfs/dbraw/zinc/47/76/27/1384477627.db2.gz JEMNCGCREIEHKH-WBVHZDCISA-N 2 0 325.541 3.027 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246579 1384477763 /nfs/dbraw/zinc/47/77/63/1384477763.db2.gz FXOIMUBIDIXPFJ-YJBOKZPZSA-N 2 0 325.541 3.027 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248701 1384478406 /nfs/dbraw/zinc/47/84/06/1384478406.db2.gz YEXGKRBXTCUOND-JKLVOYIESA-N 2 0 337.552 3.338 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248935 1384478677 /nfs/dbraw/zinc/47/86/77/1384478677.db2.gz ZCMIOKRAMJLPDY-AEFFLSMTSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248938 1384478684 /nfs/dbraw/zinc/47/86/84/1384478684.db2.gz ZCMIOKRAMJLPDY-WMZOPIPTSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260282 1384480923 /nfs/dbraw/zinc/48/09/23/1384480923.db2.gz HFMKYHWQEVROPI-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP Fc1ccc2c(ccnc2NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001171283042 1384485075 /nfs/dbraw/zinc/48/50/75/1384485075.db2.gz JNTKNICYTGXDFB-UHFFFAOYSA-N 2 0 336.414 3.396 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C)c1ccccc1 ZINC001171362272 1384502739 /nfs/dbraw/zinc/50/27/39/1384502739.db2.gz NSBKEGYQTZJIAZ-GOSISDBHSA-N 2 0 340.471 3.008 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])nc1 ZINC001171399237 1384512349 /nfs/dbraw/zinc/51/23/49/1384512349.db2.gz GTRVMHCWTQPIIL-IAGOWNOFSA-N 2 0 338.455 3.096 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001171509433 1384546373 /nfs/dbraw/zinc/54/63/73/1384546373.db2.gz PZEOUFJMUWYAJC-IAGOWNOFSA-N 2 0 327.557 3.418 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509430 1384546648 /nfs/dbraw/zinc/54/66/48/1384546648.db2.gz PYZCWLJTQMYDLJ-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001171587167 1384572931 /nfs/dbraw/zinc/57/29/31/1384572931.db2.gz ZHONYVPPLWEEBK-HNNXBMFYSA-N 2 0 339.549 3.243 20 0 EGADRP C[C@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@@]1(O)C(F)(F)F ZINC001171632068 1384586761 /nfs/dbraw/zinc/58/67/61/1384586761.db2.gz UUHMRTFFANWCBI-LRDDRELGSA-N 2 0 336.442 3.273 20 0 EGADRP COc1cc(O[C@@H]2CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)ccn1 ZINC001171641704 1384589699 /nfs/dbraw/zinc/58/96/99/1384589699.db2.gz UHTMLKKVYAGQCR-QGZVFWFLSA-N 2 0 347.503 3.195 20 0 EGADRP Cc1cc(N2CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)cc[nH+]1 ZINC001171641210 1384589741 /nfs/dbraw/zinc/58/97/41/1384589741.db2.gz NKRFCUHUTOJFHQ-UHFFFAOYSA-N 2 0 330.520 3.163 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683461 1384601696 /nfs/dbraw/zinc/60/16/96/1384601696.db2.gz JXKICASKXCHJOT-OAHLLOKOSA-N 2 0 328.460 3.013 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001171726046 1384614873 /nfs/dbraw/zinc/61/48/73/1384614873.db2.gz UVOPUKJUDDOEGG-IBGZPJMESA-N 2 0 349.494 3.031 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC001171732457 1384618238 /nfs/dbraw/zinc/61/82/38/1384618238.db2.gz AMNKMVANACGVQO-RXVVDRJESA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC001171732458 1384618268 /nfs/dbraw/zinc/61/82/68/1384618268.db2.gz AMNKMVANACGVQO-WIYYLYMNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171769580 1384630363 /nfs/dbraw/zinc/63/03/63/1384630363.db2.gz UOEPNTSVOJUPLV-NRDMVMEKSA-N 2 0 345.506 3.158 20 0 EGADRP Fc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC001171784850 1384635442 /nfs/dbraw/zinc/63/54/42/1384635442.db2.gz IORYBFCDCAMHKI-LJQANCHMSA-N 2 0 339.458 3.190 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929065 1384685080 /nfs/dbraw/zinc/68/50/80/1384685080.db2.gz DJTYALMJSHGOHG-SJORKVTESA-N 2 0 343.531 3.264 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931371 1384687173 /nfs/dbraw/zinc/68/71/73/1384687173.db2.gz SSBLKCBDBCAKKB-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171985857 1384703209 /nfs/dbraw/zinc/70/32/09/1384703209.db2.gz CKRABAWVDXKMTQ-NJDAHSKKSA-N 2 0 341.543 3.456 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001316933582 1384704757 /nfs/dbraw/zinc/70/47/57/1384704757.db2.gz IQRWMVDTNDNQPY-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccccc2C)CC1 ZINC001316935018 1384706131 /nfs/dbraw/zinc/70/61/31/1384706131.db2.gz AROHWPWKAVLHOE-UHFFFAOYSA-N 2 0 345.531 3.150 20 0 EGADRP N=c1cc(C[NH3+])ccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063943 1384715555 /nfs/dbraw/zinc/71/55/55/1384715555.db2.gz FEJLQRCPEGGZTC-PMOLBWCYSA-N 2 0 336.483 3.184 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098861 1384725798 /nfs/dbraw/zinc/72/57/98/1384725798.db2.gz GYGPSZSFFUPPPB-MZADTFQBSA-N 3 0 327.516 3.387 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001172117666 1384733461 /nfs/dbraw/zinc/73/34/61/1384733461.db2.gz KMSYRUDAPNFOBQ-HGJUEJDCSA-N 2 0 348.531 3.052 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121645 1384733986 /nfs/dbraw/zinc/73/39/86/1384733986.db2.gz RQOQNOVQYRYNPN-AXVVYFOYSA-N 2 0 349.519 3.087 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CCN(Cc4ccccc4)[C@H]3C1)C2 ZINC001172123916 1384735185 /nfs/dbraw/zinc/73/51/85/1384735185.db2.gz HQWJDOGIHCNNHL-AANPDWTMSA-N 2 0 339.527 3.208 20 0 EGADRP Cc1cccc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172132818 1384737301 /nfs/dbraw/zinc/73/73/01/1384737301.db2.gz OLUAQFSAMGAVPU-YDZRNGNQSA-N 2 0 329.488 3.249 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1)C1CCC1 ZINC001316982978 1384740292 /nfs/dbraw/zinc/74/02/92/1384740292.db2.gz MKXPMECCNYLKJE-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(N2CC[NH+](C3C[C@@H]4C=C[C@H](C3)O4)CC2)c2ccccc2[nH+]1 ZINC001172240738 1384754460 /nfs/dbraw/zinc/75/44/60/1384754460.db2.gz SBYPCIAXKPSPBO-AYHJJNSGSA-N 2 0 335.451 3.151 20 0 EGADRP COc1ccccc1C[N@H+]([C@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172281659 1384758691 /nfs/dbraw/zinc/75/86/91/1384758691.db2.gz XOBXMRINHJAJLJ-KZNAEPCWSA-N 2 0 332.488 3.335 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001172334831 1384772948 /nfs/dbraw/zinc/77/29/48/1384772948.db2.gz JCHJHLXAYCOXIH-IAGOWNOFSA-N 2 0 326.525 3.061 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172339425 1384774169 /nfs/dbraw/zinc/77/41/69/1384774169.db2.gz ULNMXLIXALRZBQ-ZWKOTPCHSA-N 2 0 333.520 3.477 20 0 EGADRP C[C@@H]1CC[C@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C[C@@H]1C ZINC001172376252 1384780421 /nfs/dbraw/zinc/78/04/21/1384780421.db2.gz UFLQMEFNPJUELO-SQNIBIBYSA-N 2 0 330.520 3.162 20 0 EGADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)O1 ZINC001172541179 1384809843 /nfs/dbraw/zinc/80/98/43/1384809843.db2.gz UXPNISWNGDRRAC-WAPOTWQKSA-N 2 0 332.488 3.027 20 0 EGADRP C[NH+](C)CCCN1CC[NH+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172554332 1384811307 /nfs/dbraw/zinc/81/13/07/1384811307.db2.gz XZQZIQIEFZACTI-RTWAWAEBSA-N 2 0 329.532 3.282 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001172609122 1384818329 /nfs/dbraw/zinc/81/83/29/1384818329.db2.gz FCQUVYRQHGVYJK-LMMKCTJWSA-N 2 0 334.504 3.129 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172651887 1384826133 /nfs/dbraw/zinc/82/61/33/1384826133.db2.gz KALMWTDYLZZVAT-UHFFFAOYSA-N 2 0 334.504 3.453 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317059436 1384832479 /nfs/dbraw/zinc/83/24/79/1384832479.db2.gz NHZLRCDPLWBUKX-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)cc[nH+]1 ZINC001172722824 1384837732 /nfs/dbraw/zinc/83/77/32/1384837732.db2.gz KDQLRNXQZYFZJR-IBGZPJMESA-N 2 0 327.859 3.333 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172722374 1384838112 /nfs/dbraw/zinc/83/81/12/1384838112.db2.gz UMMVBDHZSIGKQA-IBGZPJMESA-N 2 0 337.939 3.013 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001172778499 1384849828 /nfs/dbraw/zinc/84/98/28/1384849828.db2.gz MQPOKSUZSLURTJ-QZTJIDSGSA-N 2 0 338.536 3.456 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001172791045 1384852352 /nfs/dbraw/zinc/85/23/52/1384852352.db2.gz GJEJAAGSDCCDNO-RTBURBONSA-N 2 0 336.520 3.162 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001172791044 1384852357 /nfs/dbraw/zinc/85/23/57/1384852357.db2.gz GJEJAAGSDCCDNO-RBUKOAKNSA-N 2 0 336.520 3.162 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001335838809 1388948547 /nfs/dbraw/zinc/94/85/47/1388948547.db2.gz GDQAQZJYXMNMIL-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)CSc1ccc(Cl)cc1 ZINC001172883739 1384872417 /nfs/dbraw/zinc/87/24/17/1384872417.db2.gz UAMNHTFSFNHIHN-OAHLLOKOSA-N 2 0 343.968 3.423 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944524 1384885658 /nfs/dbraw/zinc/88/56/58/1384885658.db2.gz VNMWDPLHKXCLJH-INIZCTEOSA-N 2 0 329.529 3.344 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](C)CCC[NH+]1CCCC1 ZINC001172966232 1384892104 /nfs/dbraw/zinc/89/21/04/1384892104.db2.gz ZWWKLXWBARELPY-INIZCTEOSA-N 2 0 327.513 3.050 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173063126 1384904724 /nfs/dbraw/zinc/90/47/24/1384904724.db2.gz XARQYUMYDDBSEO-QBPKDAKJSA-N 2 0 339.524 3.237 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075828 1384908723 /nfs/dbraw/zinc/90/87/23/1384908723.db2.gz LRMGYMPNMFIMLK-DLBZAZTESA-N 2 0 341.540 3.438 20 0 EGADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001173086244 1384911112 /nfs/dbraw/zinc/91/11/12/1384911112.db2.gz SOIBHCQTEBBPDJ-BMFZPTHFSA-N 2 0 342.405 3.400 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(F)cc3c2OCOC3)CC1 ZINC001173102880 1384915143 /nfs/dbraw/zinc/91/51/43/1384915143.db2.gz CKCCQNJJPAGBBV-UHFFFAOYSA-N 2 0 336.451 3.435 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C23CCC(C(=O)OC)(CC2)CC3)CC1 ZINC001173105644 1384915455 /nfs/dbraw/zinc/91/54/55/1384915455.db2.gz LKGFZUSPBHOUFQ-UHFFFAOYSA-N 2 0 336.520 3.495 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(OC(F)F)nc2)CC1 ZINC001173104782 1384915786 /nfs/dbraw/zinc/91/57/86/1384915786.db2.gz VNGOEFDSWOUWSP-UHFFFAOYSA-N 2 0 327.419 3.426 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001173107100 1384916404 /nfs/dbraw/zinc/91/64/04/1384916404.db2.gz JVSCHZJJHUMHNE-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]([C@@H](N)C(F)(F)F)C2)CC1 ZINC001173109758 1384916901 /nfs/dbraw/zinc/91/69/01/1384916901.db2.gz GFCGOOUUGBNLKQ-SLTXQBBLSA-N 2 0 335.458 3.241 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC1 ZINC001173111366 1384917021 /nfs/dbraw/zinc/91/70/21/1384917021.db2.gz CCUNYWWQHUQBNY-HDYDNRTBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)CC1 ZINC001173114071 1384917755 /nfs/dbraw/zinc/91/77/55/1384917755.db2.gz UYQUKWWZIFFYCJ-CTWPCTMYSA-N 2 0 346.519 3.281 20 0 EGADRP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001173257366 1384946294 /nfs/dbraw/zinc/94/62/94/1384946294.db2.gz SSLAWJLQCWMEKO-BZSNNMDCSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001173354563 1384963844 /nfs/dbraw/zinc/96/38/44/1384963844.db2.gz PYNKIVUOTBBAER-MRXNPFEDSA-N 2 0 341.421 3.049 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)C1 ZINC001173648351 1384995018 /nfs/dbraw/zinc/99/50/18/1384995018.db2.gz JIZWXDSSXUZCPD-QFBILLFUSA-N 2 0 336.520 3.162 20 0 EGADRP FC(F)(F)CN1CCC([NH2+][C@H]2CCN(CC3CCCCC3)C2)CC1 ZINC001173664111 1384998872 /nfs/dbraw/zinc/99/88/72/1384998872.db2.gz PTNLMFRYMRGHDE-KRWDZBQOSA-N 2 0 347.469 3.257 20 0 EGADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173665597 1384999893 /nfs/dbraw/zinc/99/98/93/1384999893.db2.gz BAJXLUKKYJRLBH-KOMQPUFPSA-N 2 0 335.458 3.256 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001317221037 1385001365 /nfs/dbraw/zinc/00/13/65/1385001365.db2.gz SGXWBAWRPBOJLU-YFHOEESVSA-N 2 0 343.515 3.059 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC001173710294 1385006137 /nfs/dbraw/zinc/00/61/37/1385006137.db2.gz WIEVTFVZJVIOAR-INIZCTEOSA-N 2 0 340.467 3.256 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH+]2CCC([NH3+])(CC3CCC3)CC2)cc1 ZINC001173715709 1385007933 /nfs/dbraw/zinc/00/79/33/1385007933.db2.gz WXEWUMCWPUOLFN-INIZCTEOSA-N 2 0 344.499 3.388 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC3CCC3)CC2)cc1 ZINC001173720699 1385009180 /nfs/dbraw/zinc/00/91/80/1385009180.db2.gz MCTHENZQAMYZGZ-MRXNPFEDSA-N 2 0 344.499 3.258 20 0 EGADRP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001335893923 1388962603 /nfs/dbraw/zinc/96/26/03/1388962603.db2.gz XECJHGXRXQHIIU-OAQYLSRUSA-N 2 0 330.516 3.224 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317322759 1385081301 /nfs/dbraw/zinc/08/13/01/1385081301.db2.gz PZGXLJTUHOTOCT-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)CCCC2CCCC2)CC1 ZINC001317467660 1385160959 /nfs/dbraw/zinc/16/09/59/1385160959.db2.gz JIYRHVACFBSVRJ-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)c1occc1C[NH+](C)C ZINC001174930699 1385171645 /nfs/dbraw/zinc/17/16/45/1385171645.db2.gz XUAMDRDABSRDFC-OAHLLOKOSA-N 2 0 335.492 3.020 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001174948061 1385173163 /nfs/dbraw/zinc/17/31/63/1385173163.db2.gz ICCACPORZJYPGS-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174963007 1385175446 /nfs/dbraw/zinc/17/54/46/1385175446.db2.gz WUVULYAMLJTTFE-LKGOPFMKSA-N 2 0 325.541 3.339 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174961735 1385175116 /nfs/dbraw/zinc/17/51/16/1385175116.db2.gz NIIDHLOBHLDESL-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001175106100 1385195657 /nfs/dbraw/zinc/19/56/57/1385195657.db2.gz FDRJGHCKKKTZHW-PKOBYXMFSA-N 2 0 333.520 3.037 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255429 1385229759 /nfs/dbraw/zinc/22/97/59/1385229759.db2.gz FLYZYZDTPFZOQX-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC001175256917 1385230499 /nfs/dbraw/zinc/23/04/99/1385230499.db2.gz QNMBMCIBEYFFGB-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256913 1385231250 /nfs/dbraw/zinc/23/12/50/1385231250.db2.gz QLKOOQUYCBAJEM-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC001175257289 1385231880 /nfs/dbraw/zinc/23/18/80/1385231880.db2.gz YJUCUHLWAKJIOW-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273484 1385237713 /nfs/dbraw/zinc/23/77/13/1385237713.db2.gz SGSDZFNWSJUJNS-HPFMTEOYSA-N 2 0 337.552 3.339 20 0 EGADRP CC[NH+](CC)CCCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC001335943034 1388972629 /nfs/dbraw/zinc/97/26/29/1388972629.db2.gz VJYHBXWIMBPEQE-MRXNPFEDSA-N 2 0 343.309 3.194 20 0 EGADRP COC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(Br)c1 ZINC001335948192 1388973281 /nfs/dbraw/zinc/97/32/81/1388973281.db2.gz OQJBCCBRMUPVDR-MOQPWLNLSA-N 2 0 341.293 3.244 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC1CCC(C)(C)CC1 ZINC001317537723 1385270340 /nfs/dbraw/zinc/27/03/40/1385270340.db2.gz ASAIMLQDWIXELP-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC001317541734 1385281105 /nfs/dbraw/zinc/28/11/05/1385281105.db2.gz ZWJJXLIDXKEAMI-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175564726 1385333331 /nfs/dbraw/zinc/33/33/31/1385333331.db2.gz DOWZYDRQIIAMCV-MOPGFXCFSA-N 2 0 337.552 3.482 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001175747815 1385394552 /nfs/dbraw/zinc/39/45/52/1385394552.db2.gz UHLFHAIMUVTJGE-QZTJIDSGSA-N 2 0 327.557 3.418 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001317769722 1385460563 /nfs/dbraw/zinc/46/05/63/1385460563.db2.gz JCEZTNDCFYQMHD-ICSRJNTNSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176024827 1385463992 /nfs/dbraw/zinc/46/39/92/1385463992.db2.gz SINSEXUJXHMJNZ-XBMUEBEBSA-N 2 0 339.568 3.419 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176024453 1385464182 /nfs/dbraw/zinc/46/41/82/1385464182.db2.gz OHKPOZOBUAUYKH-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001176111087 1385486719 /nfs/dbraw/zinc/48/67/19/1385486719.db2.gz FUJWSVOLOJPQHF-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176111064 1385486993 /nfs/dbraw/zinc/48/69/93/1385486993.db2.gz FPWJMDXIFNHPSL-RXVVDRJESA-N 2 0 347.547 3.384 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165196 1385501017 /nfs/dbraw/zinc/50/10/17/1385501017.db2.gz JCTUIEDACJPGBW-RJCMGOLDSA-N 2 0 337.552 3.339 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192591 1385508238 /nfs/dbraw/zinc/50/82/38/1385508238.db2.gz MZSZTNUVESTZER-JTGQJZMRSA-N 2 0 346.519 3.382 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176279641 1385537051 /nfs/dbraw/zinc/53/70/51/1385537051.db2.gz OQTYDHVQJUMHSJ-CPPNXCSESA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001176327119 1385552684 /nfs/dbraw/zinc/55/26/84/1385552684.db2.gz AYDMBHALHXJFKU-IBGZPJMESA-N 2 0 345.531 3.418 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574502 1385629358 /nfs/dbraw/zinc/62/93/58/1385629358.db2.gz SLBBHQCRHSMHKZ-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176583924 1385632134 /nfs/dbraw/zinc/63/21/34/1385632134.db2.gz ZTKYIDHPPOQPJT-MSOLQXFVSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176583926 1385632218 /nfs/dbraw/zinc/63/22/18/1385632218.db2.gz ZTKYIDHPPOQPJT-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001176752954 1385683194 /nfs/dbraw/zinc/68/31/94/1385683194.db2.gz BOWGOLKXYHYOJQ-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753659 1385683699 /nfs/dbraw/zinc/68/36/99/1385683699.db2.gz JPEFAHBZMIHJJI-OALUTQOASA-N 2 0 337.552 3.338 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176753365 1385683794 /nfs/dbraw/zinc/68/37/94/1385683794.db2.gz GYMLPAGCQZOJCA-QGZVFWFLSA-N 2 0 327.557 3.418 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176754146 1385684098 /nfs/dbraw/zinc/68/40/98/1385684098.db2.gz RRQBGLAOBFWXAN-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176754386 1385684324 /nfs/dbraw/zinc/68/43/24/1385684324.db2.gz UHQCLDVIMZSELI-XLIONFOSSA-N 2 0 345.531 3.279 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001176754689 1385684610 /nfs/dbraw/zinc/68/46/10/1385684610.db2.gz YHDFZONAOAKYQX-SFHVURJKSA-N 2 0 347.547 3.354 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176814731 1385712025 /nfs/dbraw/zinc/71/20/25/1385712025.db2.gz JQIGOFGMUKRKFZ-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001176992287 1385766301 /nfs/dbraw/zinc/76/63/01/1385766301.db2.gz LGLHCRREIALBMS-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1C ZINC001698620106 1406257452 /nfs/dbraw/zinc/25/74/52/1406257452.db2.gz GDURNAFWYKUXOM-HKUYNNGSSA-N 2 0 345.531 3.272 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc3c(c2)nnn3C)c1 ZINC001177315045 1385910665 /nfs/dbraw/zinc/91/06/65/1385910665.db2.gz HWUIKKLJJORFHQ-UHFFFAOYSA-N 2 0 337.471 3.100 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001177339612 1385919701 /nfs/dbraw/zinc/91/97/01/1385919701.db2.gz LRYHSQKNQATMRX-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001177375922 1385933657 /nfs/dbraw/zinc/93/36/57/1385933657.db2.gz QQOGZRYGEDMATR-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001177398661 1385943317 /nfs/dbraw/zinc/94/33/17/1385943317.db2.gz UUROKTQWAXAXHX-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001177416014 1385948361 /nfs/dbraw/zinc/94/83/61/1385948361.db2.gz RDYBEOFBOBAZIA-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)[NH+](C)C ZINC001177415673 1385948654 /nfs/dbraw/zinc/94/86/54/1385948654.db2.gz HYIFBNOWSRDPDW-ROUUACIJSA-N 2 0 343.531 3.073 20 0 EGADRP CC[NH+](CC)CC(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1 ZINC001177445715 1385959429 /nfs/dbraw/zinc/95/94/29/1385959429.db2.gz QPMAABXREHGSKM-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C1CC1)[NH+](C)C ZINC001319563783 1386182865 /nfs/dbraw/zinc/18/28/65/1386182865.db2.gz XBOPCYWTSBVNPZ-OXJNMPFZSA-N 2 0 345.531 3.087 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001319587778 1386191631 /nfs/dbraw/zinc/19/16/31/1386191631.db2.gz AOZJFJLUPQOXFD-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178484070 1386232102 /nfs/dbraw/zinc/23/21/02/1386232102.db2.gz NSKMCWVKHQOXER-WGLWSTOQSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178487677 1386233414 /nfs/dbraw/zinc/23/34/14/1386233414.db2.gz ZHCUYRUGVFPSIF-QGZVFWFLSA-N 2 0 343.531 3.265 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178526804 1386241039 /nfs/dbraw/zinc/24/10/39/1386241039.db2.gz CSOPKWGYLWTFHS-OXUXSNCKSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001178521785 1386241047 /nfs/dbraw/zinc/24/10/47/1386241047.db2.gz DQEFRGWMBFYAAN-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001178634296 1386265259 /nfs/dbraw/zinc/26/52/59/1386265259.db2.gz SSCMYRUMCUXDEL-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178633612 1386265482 /nfs/dbraw/zinc/26/54/82/1386265482.db2.gz AUUJOUIMXFNERG-CTWPCTMYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)CC ZINC001178633657 1386265513 /nfs/dbraw/zinc/26/55/13/1386265513.db2.gz CPZNPJVBICWNBX-MSOLQXFVSA-N 2 0 325.541 3.173 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693244 1386279913 /nfs/dbraw/zinc/27/99/13/1386279913.db2.gz MNQAXUYUJPFJKX-IBGZPJMESA-N 2 0 337.552 3.460 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC001319762937 1386284741 /nfs/dbraw/zinc/28/47/41/1386284741.db2.gz KJJSTAMNKJOQQO-UYAOXDASSA-N 2 0 327.516 3.497 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001178827672 1386319266 /nfs/dbraw/zinc/31/92/66/1386319266.db2.gz MEYZRSIOQCKELH-HXUWFJFHSA-N 2 0 345.531 3.246 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001178833029 1386322623 /nfs/dbraw/zinc/32/26/23/1386322623.db2.gz NGKLYNDWHAKSMW-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878703 1386336477 /nfs/dbraw/zinc/33/64/77/1386336477.db2.gz XBMYLLTZKKKTIV-COLAKMGYSA-N 2 0 349.563 3.290 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1C ZINC001319866067 1386344469 /nfs/dbraw/zinc/34/44/69/1386344469.db2.gz ZRDAUWQMYAYFSQ-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001319872499 1386348985 /nfs/dbraw/zinc/34/89/85/1386348985.db2.gz XWPCGXNTCFJXIN-MRXNPFEDSA-N 2 0 342.487 3.273 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178926122 1386351078 /nfs/dbraw/zinc/35/10/78/1386351078.db2.gz PSFMNPJYDDIINF-SXLOBPIMSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179025992 1386380454 /nfs/dbraw/zinc/38/04/54/1386380454.db2.gz FYYUYNCFVIHFMI-MRXNPFEDSA-N 2 0 330.476 3.260 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c1 ZINC001319919117 1386390654 /nfs/dbraw/zinc/39/06/54/1386390654.db2.gz SHIMCZQPVXKXLU-FQEVSTJZSA-N 2 0 345.531 3.018 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCCCCC[NH2+]CC2CCC2)CCCC1 ZINC001179139826 1386408612 /nfs/dbraw/zinc/40/86/12/1386408612.db2.gz QWTGDIQREDWFPL-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC1CC(C[NH2+][C@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C)C1 ZINC001179234058 1386428423 /nfs/dbraw/zinc/42/84/23/1386428423.db2.gz GWUWWINVOJCCOF-JEVOJNTISA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179239097 1386428844 /nfs/dbraw/zinc/42/88/44/1386428844.db2.gz QRSMSSXZYHCFCV-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461144 1386487192 /nfs/dbraw/zinc/48/71/92/1386487192.db2.gz CCCQUGXBRPDKNR-SFHVURJKSA-N 2 0 333.520 3.274 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C)cc1 ZINC001179550470 1386512088 /nfs/dbraw/zinc/51/20/88/1386512088.db2.gz XDNNKFDDNVMIAI-HKUYNNGSSA-N 2 0 345.531 3.052 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](F)CC)[NH+](CC)CC ZINC001179565877 1386516607 /nfs/dbraw/zinc/51/66/07/1386516607.db2.gz XSOXSXXPJNBYQE-DLBZAZTESA-N 2 0 331.520 3.121 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580858 1386522076 /nfs/dbraw/zinc/52/20/76/1386522076.db2.gz STIHUQMVEAAOFW-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001179580755 1386522757 /nfs/dbraw/zinc/52/27/57/1386522757.db2.gz OYHULMGWNFFZCM-QGZVFWFLSA-N 2 0 349.494 3.076 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001179590239 1386525087 /nfs/dbraw/zinc/52/50/87/1386525087.db2.gz FIIIJSHRECCQJP-MSOLQXFVSA-N 2 0 325.541 3.031 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179590751 1386525956 /nfs/dbraw/zinc/52/59/56/1386525956.db2.gz LJUAEBUCBVHDRJ-LJQANCHMSA-N 2 0 343.531 3.121 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CCCCCF)CC(C)(C)C ZINC001179592981 1386526933 /nfs/dbraw/zinc/52/69/33/1386526933.db2.gz SUGVGMNSNXPZFR-UHFFFAOYSA-N 2 0 345.547 3.370 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179592970 1386527010 /nfs/dbraw/zinc/52/70/10/1386527010.db2.gz SHQJLKIPZQDRHC-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001179609074 1386530695 /nfs/dbraw/zinc/53/06/95/1386530695.db2.gz FQRFVALVFVKZQD-IURSYISVSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)[NH+]1CCCCCC1 ZINC001179746067 1386570373 /nfs/dbraw/zinc/57/03/73/1386570373.db2.gz NMYPNNWJGKAKAR-DVQDXYAYSA-N 2 0 343.943 3.270 20 0 EGADRP O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179792606 1386588597 /nfs/dbraw/zinc/58/85/97/1386588597.db2.gz TWFMBNUEXUMYTJ-QZKWLWDQSA-N 2 0 341.927 3.022 20 0 EGADRP CCc1ccccc1C[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179846756 1386605957 /nfs/dbraw/zinc/60/59/57/1386605957.db2.gz SOAVGCSVNQWBEF-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320464637 1386616526 /nfs/dbraw/zinc/61/65/26/1386616526.db2.gz QMQKXMRNWPERRF-AEFFLSMTSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1ccc(F)cc1 ZINC001179959022 1386648917 /nfs/dbraw/zinc/64/89/17/1386648917.db2.gz UUJXERMZNVIPNH-BXWFABGCSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001179967417 1386652306 /nfs/dbraw/zinc/65/23/06/1386652306.db2.gz ALYIEQSPCVRPOB-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCCc1ccccc1 ZINC001179989436 1386659932 /nfs/dbraw/zinc/65/99/32/1386659932.db2.gz YPMNKZXAJQZXGL-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179989229 1386660086 /nfs/dbraw/zinc/66/00/86/1386660086.db2.gz VHEGEOXPUXLOSB-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001180035404 1386675249 /nfs/dbraw/zinc/67/52/49/1386675249.db2.gz CUWWGCPFDFNZAI-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180060935 1386683528 /nfs/dbraw/zinc/68/35/28/1386683528.db2.gz USQYEYJLDVIMFG-RTBURBONSA-N 2 0 339.568 3.277 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001180060592 1386683863 /nfs/dbraw/zinc/68/38/63/1386683863.db2.gz IUKXDDSXBHRNFR-QGZVFWFLSA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001180117809 1386701735 /nfs/dbraw/zinc/70/17/35/1386701735.db2.gz DJHCRBYVMHBTFT-UHFFFAOYSA-N 2 0 347.494 3.030 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320864469 1386742071 /nfs/dbraw/zinc/74/20/71/1386742071.db2.gz WMHKWBLXOJTZOD-UYAOXDASSA-N 2 0 345.531 3.449 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CCC(C)C)[C@@H]2C)o1 ZINC001180257110 1386748847 /nfs/dbraw/zinc/74/88/47/1386748847.db2.gz IOLQABSOFDQQLG-WMZOPIPTSA-N 2 0 349.519 3.360 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001180274521 1386751986 /nfs/dbraw/zinc/75/19/86/1386751986.db2.gz INSIBJAJFGJWBC-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180295056 1386758347 /nfs/dbraw/zinc/75/83/47/1386758347.db2.gz YQTCFRSGWHBKLH-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320929539 1386761587 /nfs/dbraw/zinc/76/15/87/1386761587.db2.gz RFMZIZLACGATTA-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180352044 1386771948 /nfs/dbraw/zinc/77/19/48/1386771948.db2.gz MPJHSXJJZVDWBE-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001321192324 1386836992 /nfs/dbraw/zinc/83/69/92/1386836992.db2.gz VCFHTNWHBXEKHW-KRWDZBQOSA-N 2 0 325.456 3.092 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181441884 1386994706 /nfs/dbraw/zinc/99/47/06/1386994706.db2.gz RZURRBDCZCJGRU-WSTZPKSXSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181441873 1386994901 /nfs/dbraw/zinc/99/49/01/1386994901.db2.gz RPMDGTAALCLXHY-SLYNCCJLSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1coc2ccccc12 ZINC001181485910 1387002417 /nfs/dbraw/zinc/00/24/17/1387002417.db2.gz KZBSMQKYMAIRKV-SFHVURJKSA-N 2 0 329.488 3.281 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)c1ccccc1Cl ZINC001321908892 1387007788 /nfs/dbraw/zinc/00/77/88/1387007788.db2.gz KHFDXXYVMXPTPK-LSDHHAIUSA-N 2 0 349.906 3.124 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181746637 1387049304 /nfs/dbraw/zinc/04/93/04/1387049304.db2.gz RTFYUXCFSPAEGX-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001181977506 1387085867 /nfs/dbraw/zinc/08/58/67/1387085867.db2.gz LIKCHUBLYPWGIQ-SFHVURJKSA-N 2 0 329.488 3.165 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182116131 1387107849 /nfs/dbraw/zinc/10/78/49/1387107849.db2.gz DPPVHMIAHOENRL-RZQQEMMASA-N 2 0 342.487 3.068 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@]2(C)CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001182485413 1387174714 /nfs/dbraw/zinc/17/47/14/1387174714.db2.gz AMVSEAWJOWLRLL-LVCYWYKZSA-N 2 0 345.531 3.082 20 0 EGADRP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182516180 1387180462 /nfs/dbraw/zinc/18/04/62/1387180462.db2.gz BSEAFJLVOVXPQW-YVWKXTFCSA-N 2 0 339.568 3.083 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182516588 1387180946 /nfs/dbraw/zinc/18/09/46/1387180946.db2.gz JUNGCFAMHHLZGK-KBIMGQHNSA-N 2 0 337.552 3.003 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182591211 1387193028 /nfs/dbraw/zinc/19/30/28/1387193028.db2.gz WDSHELDHSSSBAD-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634600 1387217018 /nfs/dbraw/zinc/21/70/18/1387217018.db2.gz VIEGMPPRWDCUHI-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001182932492 1387247718 /nfs/dbraw/zinc/24/77/18/1387247718.db2.gz ANZPKJBMCBJKAJ-QWFCFKBJSA-N 2 0 339.568 3.085 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336739479 1389151880 /nfs/dbraw/zinc/15/18/80/1389151880.db2.gz NUCRTWGOEFIIJT-WIYYLYMNSA-N 2 0 326.484 3.063 20 0 EGADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CCCC1CCCC1 ZINC001329590849 1389170052 /nfs/dbraw/zinc/17/00/52/1389170052.db2.gz ZAKAESHPWGLUAQ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CC(C)C1 ZINC001329936040 1389264996 /nfs/dbraw/zinc/26/49/96/1389264996.db2.gz IVWRWRJLYZJXRU-ACBHZAAOSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCCCCC1 ZINC001331643244 1389841257 /nfs/dbraw/zinc/84/12/57/1389841257.db2.gz GUUAUCXVDCCYMF-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001332066125 1389964450 /nfs/dbraw/zinc/96/44/50/1389964450.db2.gz VIUDFFUMTKYMJG-UZLBHIALSA-N 2 0 345.531 3.377 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001332326271 1390087611 /nfs/dbraw/zinc/08/76/11/1390087611.db2.gz ZXSFYODQMOIAET-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001340032684 1390211874 /nfs/dbraw/zinc/21/18/74/1390211874.db2.gz FBNHLYANYHRMMI-WQANXHIZSA-N 2 0 327.472 3.140 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340155190 1390238476 /nfs/dbraw/zinc/23/84/76/1390238476.db2.gz MKGMRKFXNIDVNW-QGZVFWFLSA-N 2 0 335.492 3.109 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2CCCCC2)CC1 ZINC001698771936 1406432439 /nfs/dbraw/zinc/43/24/39/1406432439.db2.gz DXTGQLGRRWLMPP-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340871565 1390390169 /nfs/dbraw/zinc/39/01/69/1390390169.db2.gz IJOHFSMLHUTTTP-HNAWSFBYSA-N 2 0 345.531 3.023 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc1OC ZINC001333841887 1390420277 /nfs/dbraw/zinc/42/02/77/1390420277.db2.gz OZADHKHMQDOYOC-BZSNNMDCSA-N 2 0 332.488 3.256 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]2C1 ZINC001334358013 1390524150 /nfs/dbraw/zinc/52/41/50/1390524150.db2.gz WEJBFPSRPILIDS-JJRVBVJISA-N 2 0 332.879 3.150 20 0 EGADRP COc1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001335151143 1390649570 /nfs/dbraw/zinc/64/95/70/1390649570.db2.gz TVTRMCJGWOCQHZ-SQWLQELKSA-N 2 0 336.451 3.005 20 0 EGADRP O=C(CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccccc1Cl ZINC001349389313 1391326563 /nfs/dbraw/zinc/32/65/63/1391326563.db2.gz KSFXZOYDKWQQMR-UHFFFAOYSA-N 2 0 335.879 3.134 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001698809439 1406495418 /nfs/dbraw/zinc/49/54/18/1406495418.db2.gz MCNZCLKUCLPTAL-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC001353533837 1392034338 /nfs/dbraw/zinc/03/43/38/1392034338.db2.gz AVVKWIYXUFQJAJ-QAPCUYQASA-N 2 0 331.504 3.092 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001479315203 1392211941 /nfs/dbraw/zinc/21/19/41/1392211941.db2.gz QKBXHJWNFLKKJD-HCXYKTFWSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479835313 1392421084 /nfs/dbraw/zinc/42/10/84/1392421084.db2.gz VQLWBUQJBJMLRZ-PXNSSMCTSA-N 2 0 345.531 3.377 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001480330436 1392689745 /nfs/dbraw/zinc/68/97/45/1392689745.db2.gz CUGHFQOOKWXOAK-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001480407140 1392744488 /nfs/dbraw/zinc/74/44/88/1392744488.db2.gz QIFDNXJWQBVDBR-POHAHGRESA-N 2 0 343.515 3.059 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001480873439 1392992263 /nfs/dbraw/zinc/99/22/63/1392992263.db2.gz DXPJTENKRQAYHD-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(C)c1 ZINC001480979351 1393063723 /nfs/dbraw/zinc/06/37/23/1393063723.db2.gz GWOJRRFLWUQCCN-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]1CCCc2ccccc21 ZINC001480981191 1393065412 /nfs/dbraw/zinc/06/54/12/1393065412.db2.gz ASPOXUPHCRIJMW-UXHICEINSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)CCC1 ZINC001481095825 1393118863 /nfs/dbraw/zinc/11/88/63/1393118863.db2.gz NMZKFYMVGZWPLH-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001698916435 1406649945 /nfs/dbraw/zinc/64/99/45/1406649945.db2.gz CNQXHUNZMVRSRT-HXUWFJFHSA-N 2 0 345.531 3.174 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001698941948 1406681957 /nfs/dbraw/zinc/68/19/57/1406681957.db2.gz YTVXLJRDLKTHDG-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001698948287 1406688207 /nfs/dbraw/zinc/68/82/07/1406688207.db2.gz VDNJNFSMQHZUGN-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481539357 1394401270 /nfs/dbraw/zinc/40/12/70/1394401270.db2.gz CTTMVLVYCLEVAD-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001481683325 1394447456 /nfs/dbraw/zinc/44/74/56/1394447456.db2.gz WXCLFEFRDTUENR-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1)C1CCC1 ZINC001491210301 1394472937 /nfs/dbraw/zinc/47/29/37/1394472937.db2.gz PFYCFZCKBMSAEV-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1C)[NH+](C)C ZINC001491220915 1394479276 /nfs/dbraw/zinc/47/92/76/1394479276.db2.gz IQWLJFQVFYAWTO-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001481731545 1394480369 /nfs/dbraw/zinc/48/03/69/1394480369.db2.gz VNHDQAQHOWZTAO-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CC3CCCCCC3)CCCC2)CC1 ZINC001481903683 1394588805 /nfs/dbraw/zinc/58/88/05/1394588805.db2.gz BZJUEVPOLJUVBT-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@](C)(C[NH2+]CC2CCC2)C2CC2)cc1 ZINC001481945276 1394609532 /nfs/dbraw/zinc/60/95/32/1394609532.db2.gz WGDBAGCKDWBFDR-NRFANRHFSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CCCC1)[NH+](C)C ZINC001482235404 1394830452 /nfs/dbraw/zinc/83/04/52/1394830452.db2.gz DSCMJUZXGPLOJW-LJQANCHMSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001482480518 1395033955 /nfs/dbraw/zinc/03/39/55/1395033955.db2.gz MSGXNVYGFNFSJB-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001482495727 1395047536 /nfs/dbraw/zinc/04/75/36/1395047536.db2.gz SOOQUUWDWAAWNC-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001698972994 1406738618 /nfs/dbraw/zinc/73/86/18/1406738618.db2.gz POZXEWAQOKXNMZ-FXAWDEMLSA-N 2 0 345.531 3.128 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C[C@@H]1C ZINC001483917292 1395144131 /nfs/dbraw/zinc/14/41/31/1395144131.db2.gz VFBQJGHLPDVNCI-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001484137359 1395274168 /nfs/dbraw/zinc/27/41/68/1395274168.db2.gz NZMNNTUYFDSTQT-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001484723112 1395486442 /nfs/dbraw/zinc/48/64/42/1395486442.db2.gz LTTWNROBPHCAHB-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001486207713 1396182470 /nfs/dbraw/zinc/18/24/70/1396182470.db2.gz MJIZFXRDTDURNI-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CCN(C)[C@@H](C)c1ccccc1Cl ZINC001699001864 1406814276 /nfs/dbraw/zinc/81/42/76/1406814276.db2.gz DIYUTZKICNBYOY-HNNXBMFYSA-N 2 0 339.911 3.133 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1ccccc1F ZINC001492442114 1396322304 /nfs/dbraw/zinc/32/23/04/1396322304.db2.gz UILKJHIAFMUESW-VQIMIIECSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156738 1396389085 /nfs/dbraw/zinc/38/90/85/1396389085.db2.gz IMIHKPJOCCMWKH-OALUTQOASA-N 2 0 345.531 3.178 20 0 EGADRP CN(C(=O)CCCn1ccnc1)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001494875810 1396504446 /nfs/dbraw/zinc/50/44/46/1396504446.db2.gz KOTWHDNIKCYDSR-IBGZPJMESA-N 2 0 346.519 3.166 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001499243476 1397065244 /nfs/dbraw/zinc/06/52/44/1397065244.db2.gz HNFKEQZDAXHXIU-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CCCC[NH+]1CCC(N(CCC)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001690138541 1404335603 /nfs/dbraw/zinc/33/56/03/1404335603.db2.gz GXCWBOKAEZHAEE-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](C(C)C)CC1 ZINC001690138681 1404336672 /nfs/dbraw/zinc/33/66/72/1404336672.db2.gz LXFRBVKAALFXNA-UHFFFAOYSA-N 2 0 345.531 3.473 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001690684010 1404689458 /nfs/dbraw/zinc/68/94/58/1404689458.db2.gz HYIZFCRDAXRBKP-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]CC3CCCC3)C2)CCCCC1 ZINC001690728017 1404699640 /nfs/dbraw/zinc/69/96/40/1404699640.db2.gz IUVMRNDXZQIPOF-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CCc1ccc(C[NH+](C)[C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001690822627 1404759241 /nfs/dbraw/zinc/75/92/41/1404759241.db2.gz JXLQLMXLBDCHES-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001690982139 1404896092 /nfs/dbraw/zinc/89/60/92/1404896092.db2.gz QLAFIKLURRTFMF-HKUYNNGSSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001691000313 1404916547 /nfs/dbraw/zinc/91/65/47/1404916547.db2.gz BTVWILNKZBFKBE-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1F ZINC001691021459 1404934819 /nfs/dbraw/zinc/93/48/19/1404934819.db2.gz AWGLUOVAWWJWGP-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCC[NH+](C)C ZINC001691055414 1404975525 /nfs/dbraw/zinc/97/55/25/1404975525.db2.gz MMCIUUPBOMBFHQ-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691154050 1405087771 /nfs/dbraw/zinc/08/77/71/1405087771.db2.gz JEUCGCPVSNIAKR-APWZRJJASA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691172458 1405107957 /nfs/dbraw/zinc/10/79/57/1405107957.db2.gz GFSTYCBCAOGCLF-KBAYOESNSA-N 2 0 346.519 3.043 20 0 EGADRP C[N@H+](CC(=O)NCC[NH+](CC1CCCCCC1)C1CC1)C1CCC1 ZINC001691213103 1405153292 /nfs/dbraw/zinc/15/32/92/1405153292.db2.gz LISXMDKOPQXVJA-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001691990127 1405703956 /nfs/dbraw/zinc/70/39/56/1405703956.db2.gz VORDJQOLMUOSLM-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001732058367 1428304262 /nfs/dbraw/zinc/30/42/62/1428304262.db2.gz FJKLDSMNIXYFEF-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001732186101 1428435298 /nfs/dbraw/zinc/43/52/98/1428435298.db2.gz JHMWICFOYJTODO-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001732275568 1428509825 /nfs/dbraw/zinc/50/98/25/1428509825.db2.gz DYUUVQDGJXESIF-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001732302419 1428520029 /nfs/dbraw/zinc/52/00/29/1428520029.db2.gz HACVAXZCYIWFDD-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001732330885 1428537472 /nfs/dbraw/zinc/53/74/72/1428537472.db2.gz RXFVWEVMVGGXDT-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001732358964 1428547422 /nfs/dbraw/zinc/54/74/22/1428547422.db2.gz ACYMFSUJVMZNDL-QUCCMNQESA-N 2 0 345.531 3.212 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001732396005 1428563417 /nfs/dbraw/zinc/56/34/17/1428563417.db2.gz FFFDCNVGFASLQN-MRXNPFEDSA-N 2 0 346.519 3.187 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001732399187 1428565486 /nfs/dbraw/zinc/56/54/86/1428565486.db2.gz XIKLMBSRYWKOSD-QZTJIDSGSA-N 2 0 343.515 3.026 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)CC[NH+]1CCCCC1 ZINC001699220296 1412584966 /nfs/dbraw/zinc/58/49/66/1412584966.db2.gz POJIVUGVJOXGRZ-QGZVFWFLSA-N 2 0 349.494 3.201 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463082 1412821518 /nfs/dbraw/zinc/82/15/18/1412821518.db2.gz DCKFPJLKGPVSHS-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001699737707 1413149082 /nfs/dbraw/zinc/14/90/82/1413149082.db2.gz JIJCHRANJIXQNL-MOPGFXCFSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C[C@H]1C ZINC001699742478 1413153467 /nfs/dbraw/zinc/15/34/67/1413153467.db2.gz ZHJZKFFLKSIURF-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001699873314 1413325092 /nfs/dbraw/zinc/32/50/92/1413325092.db2.gz KUAUEYVEIJCBNG-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001732547121 1428723916 /nfs/dbraw/zinc/72/39/16/1428723916.db2.gz KPLDSVLXVVGOMM-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001700180693 1413593517 /nfs/dbraw/zinc/59/35/17/1413593517.db2.gz GSQRVCQARIWTNH-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001700196030 1413636862 /nfs/dbraw/zinc/63/68/62/1413636862.db2.gz QSRFRUPUATTWNY-FRQCXROJSA-N 2 0 349.494 3.007 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001700203518 1413648535 /nfs/dbraw/zinc/64/85/35/1413648535.db2.gz RVXLQWPQOMAEIY-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@H](C)C1 ZINC001700321080 1413787490 /nfs/dbraw/zinc/78/74/90/1413787490.db2.gz WNOJWBKZJOITKJ-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001700361850 1413876716 /nfs/dbraw/zinc/87/67/16/1413876716.db2.gz HXTZOKORONRYBV-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP C[C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)[N@H+](C)CC1CCCC1 ZINC001700472474 1414090917 /nfs/dbraw/zinc/09/09/17/1414090917.db2.gz SUVFAXADNRTWEO-KRWDZBQOSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)C/C=C/c1ccccc1 ZINC001700473511 1414096064 /nfs/dbraw/zinc/09/60/64/1414096064.db2.gz FFWXPRCKIFCQEY-HGZMWJMZSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)cc1C ZINC001732582475 1428789975 /nfs/dbraw/zinc/78/99/75/1428789975.db2.gz OKIQBYJDJQUGAW-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc2ccccc2c1 ZINC001700765092 1414439209 /nfs/dbraw/zinc/43/92/09/1414439209.db2.gz XRGGDJFPXQPAGW-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001700780833 1414463072 /nfs/dbraw/zinc/46/30/72/1414463072.db2.gz PIDPKUPXGHVGMA-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001700878779 1414534491 /nfs/dbraw/zinc/53/44/91/1414534491.db2.gz IFFWABSGCWBPQM-HKUYNNGSSA-N 2 0 337.552 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)c2ccccc2)C1 ZINC001701025492 1414687257 /nfs/dbraw/zinc/68/72/57/1414687257.db2.gz UYCDKSMNEMKSJM-IPJUCJBFSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001732703817 1428917379 /nfs/dbraw/zinc/91/73/79/1428917379.db2.gz YVHMBWDBZSFYLS-SJORKVTESA-N 2 0 331.504 3.025 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC001733024222 1429143455 /nfs/dbraw/zinc/14/34/55/1429143455.db2.gz LGACKLZTFVPHHC-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001707439014 1417342852 /nfs/dbraw/zinc/34/28/52/1417342852.db2.gz BRMNZFIXKPUSSU-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001713136297 1417718178 /nfs/dbraw/zinc/71/81/78/1417718178.db2.gz CCKZOWHDAYXNJT-LJQANCHMSA-N 2 0 337.552 3.223 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001713309860 1417935372 /nfs/dbraw/zinc/93/53/72/1417935372.db2.gz KPEWGQSQECIJHG-LVMGUKCRSA-N 2 0 343.515 3.059 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713417414 1418041561 /nfs/dbraw/zinc/04/15/61/1418041561.db2.gz QTDPIDIWNWLIAA-KXBFYZLASA-N 2 0 343.531 3.120 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](CC)c1ccccc1 ZINC001713598531 1418388644 /nfs/dbraw/zinc/38/86/44/1418388644.db2.gz UJBCYJDGUBRGKH-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP O=C(NC[C@@H]([NH2+]CCC1CC1)c1ccccc1)c1cc2c[nH]ccc-2n1 ZINC001713701965 1418460341 /nfs/dbraw/zinc/46/03/41/1418460341.db2.gz ZOLSDOFUTMKQSJ-HXUWFJFHSA-N 2 0 348.450 3.424 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001713784099 1418600389 /nfs/dbraw/zinc/60/03/89/1418600389.db2.gz IHIGHIINZRESKC-SFHVURJKSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001713964894 1418744254 /nfs/dbraw/zinc/74/42/54/1418744254.db2.gz OYKQECCRIQSVKM-BZSNNMDCSA-N 2 0 331.504 3.025 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001713968420 1418747429 /nfs/dbraw/zinc/74/74/29/1418747429.db2.gz ICRIXBZLJQNAQX-MISYRCLQSA-N 2 0 343.515 3.169 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001714085934 1418879446 /nfs/dbraw/zinc/87/94/46/1418879446.db2.gz FQDLBVCMKFEFCI-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001714085932 1418879741 /nfs/dbraw/zinc/87/97/41/1418879741.db2.gz FQDLBVCMKFEFCI-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cc(C)ccc1C ZINC001714125331 1418929984 /nfs/dbraw/zinc/92/99/84/1418929984.db2.gz UFJQTMUVPOWCPG-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001714148696 1418954658 /nfs/dbraw/zinc/95/46/58/1418954658.db2.gz PLZLUOFDXKQRST-QGZVFWFLSA-N 2 0 331.504 3.108 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714149654 1418955904 /nfs/dbraw/zinc/95/59/04/1418955904.db2.gz FANOHGYBWSSLMV-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714155094 1418964536 /nfs/dbraw/zinc/96/45/36/1418964536.db2.gz DAZMPAAQRBWJNI-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H](CC)C1 ZINC001733196970 1429299490 /nfs/dbraw/zinc/29/94/90/1429299490.db2.gz HCRZXNVXGILKQQ-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CCc1cccc(C[NH2+]C2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001714195291 1419000547 /nfs/dbraw/zinc/00/05/47/1419000547.db2.gz XSBGMGQPCRTASG-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC1CCCC1 ZINC001714283184 1419063410 /nfs/dbraw/zinc/06/34/10/1419063410.db2.gz CCHHTWTVAIDJRT-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@H](C)c1cccc(F)c1 ZINC001714583435 1419323880 /nfs/dbraw/zinc/32/38/80/1419323880.db2.gz HPGXGYBBCBTHEY-VQIMIIECSA-N 2 0 349.494 3.198 20 0 EGADRP CCC(CC)C[N@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714588115 1419332261 /nfs/dbraw/zinc/33/22/61/1419332261.db2.gz VWQCBFZUEAWHDI-UHFFFAOYSA-N 2 0 330.476 3.131 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001714646721 1419422358 /nfs/dbraw/zinc/42/23/58/1419422358.db2.gz LZWHWYAZOIKYKO-QUCCMNQESA-N 2 0 345.531 3.088 20 0 EGADRP CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(C)cc1 ZINC001714659708 1419444022 /nfs/dbraw/zinc/44/40/22/1419444022.db2.gz UERVGUQQSDRISL-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1F ZINC001714796828 1419513008 /nfs/dbraw/zinc/51/30/08/1419513008.db2.gz ASHRVECFUHWJBB-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1c(C(=O)N2CCC([C@@H](C)[NH2+]CC(C)C)CC2)ccc2c[nH+]cn21 ZINC001714810799 1419521933 /nfs/dbraw/zinc/52/19/33/1419521933.db2.gz OULFOWDEPCATMR-OAHLLOKOSA-N 2 0 342.487 3.129 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1)CC(C)(C)C ZINC001714922443 1419675468 /nfs/dbraw/zinc/67/54/68/1419675468.db2.gz QJCVKOKKSQKVAB-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C(=O)NCC1C[NH+](CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001714965154 1419703171 /nfs/dbraw/zinc/70/31/71/1419703171.db2.gz PUPMHMDYXWLJGI-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001715021193 1419752359 /nfs/dbraw/zinc/75/23/59/1419752359.db2.gz ATUBBHMMAYKIBH-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001715333985 1420038938 /nfs/dbraw/zinc/03/89/38/1420038938.db2.gz BDIPHTGSDHRYCM-XLIONFOSSA-N 2 0 347.547 3.333 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715367482 1420063871 /nfs/dbraw/zinc/06/38/71/1420063871.db2.gz JNBBQMAIZNQGJH-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001715384422 1420081026 /nfs/dbraw/zinc/08/10/26/1420081026.db2.gz IJIWQSPANDUCLF-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001715932401 1420404633 /nfs/dbraw/zinc/40/46/33/1420404633.db2.gz FWSWREAIDNXVFD-CPUCHLNUSA-N 2 0 339.911 3.082 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716044180 1420507417 /nfs/dbraw/zinc/50/74/17/1420507417.db2.gz AWLMQZGDNKUEJD-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001716518134 1420747170 /nfs/dbraw/zinc/74/71/70/1420747170.db2.gz LKZKZGWTUXOKIL-RTBURBONSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001733268974 1429429775 /nfs/dbraw/zinc/42/97/75/1429429775.db2.gz UQWWQJSGMVZPGT-VPRPHCNOSA-N 2 0 347.547 3.329 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001716643204 1420799199 /nfs/dbraw/zinc/79/91/99/1420799199.db2.gz YEFNJKAWSVYPTM-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001716703508 1420857326 /nfs/dbraw/zinc/85/73/26/1420857326.db2.gz BAXPPRHNVKCGAT-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001733276850 1429441600 /nfs/dbraw/zinc/44/16/00/1429441600.db2.gz BZQHEZLRORCOLD-FQEVSTJZSA-N 2 0 349.563 3.242 20 0 EGADRP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001733277083 1429442028 /nfs/dbraw/zinc/44/20/28/1429442028.db2.gz NPDFDBBMNCEENE-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001716723155 1420880460 /nfs/dbraw/zinc/88/04/60/1420880460.db2.gz AFQYSAXVERSHCE-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC2(C1)CC[NH+](CC)CC2 ZINC001716727906 1420886488 /nfs/dbraw/zinc/88/64/88/1420886488.db2.gz LDGGITNRQQYSLQ-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001717007340 1421075120 /nfs/dbraw/zinc/07/51/20/1421075120.db2.gz XONSPDPDOYGURD-IBGZPJMESA-N 2 0 345.531 3.278 20 0 EGADRP CC[C@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CCCC2)cc1)[NH+](C)C ZINC001717115448 1421119396 /nfs/dbraw/zinc/11/93/96/1421119396.db2.gz MBAZRMQMLPDDFC-OXQOHEQNSA-N 2 0 345.531 3.484 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1C)[NH+](C)C ZINC001717214321 1421190511 /nfs/dbraw/zinc/19/05/11/1421190511.db2.gz QZIIMZWARGCAFY-HKUYNNGSSA-N 2 0 333.520 3.177 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](C(C)C)C1 ZINC001717217238 1421195348 /nfs/dbraw/zinc/19/53/48/1421195348.db2.gz PJNBUNZLLUFJII-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001717217550 1421195592 /nfs/dbraw/zinc/19/55/92/1421195592.db2.gz SKLYERZVEVZHCU-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001733335175 1429519588 /nfs/dbraw/zinc/51/95/88/1429519588.db2.gz FWIRVQPAJFUBPG-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H](C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1)[NH+](CC)CC ZINC001733450924 1429663103 /nfs/dbraw/zinc/66/31/03/1429663103.db2.gz CYPKCHOOHVSUSX-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CC2)CCCCC1 ZINC001722941859 1424268520 /nfs/dbraw/zinc/26/85/20/1424268520.db2.gz BPDSKDKZPSPQTE-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP CC1CC(C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)C2CCCCCC2)C1 ZINC001723639032 1424501851 /nfs/dbraw/zinc/50/18/51/1424501851.db2.gz DAKQKWYGEXDQMK-QLOJAFMTSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001723649559 1424515082 /nfs/dbraw/zinc/51/50/82/1424515082.db2.gz QTSUOXYGRWDIEZ-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001723864312 1424592720 /nfs/dbraw/zinc/59/27/20/1424592720.db2.gz YRWDZIMAMKVQDA-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CCCC1)[NH+](C)C ZINC001724082869 1424652432 /nfs/dbraw/zinc/65/24/32/1424652432.db2.gz CLDIFGCSLGAVKV-PMACEKPBSA-N 2 0 345.531 3.037 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724188446 1424720566 /nfs/dbraw/zinc/72/05/66/1424720566.db2.gz GLLPRJLSXHJWBX-GHTZIAJQSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001724285470 1424775162 /nfs/dbraw/zinc/77/51/62/1424775162.db2.gz MDGXTOPVYDUYIF-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001733563642 1429762825 /nfs/dbraw/zinc/76/28/25/1429762825.db2.gz OBTAFKLHUSVUMK-FNLKRUPLSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001724620752 1424971833 /nfs/dbraw/zinc/97/18/33/1424971833.db2.gz HATODDBHKRXSNY-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001724968704 1425365721 /nfs/dbraw/zinc/36/57/21/1425365721.db2.gz DSNUESZAEYZZCB-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@H](C)c1ccccc1F ZINC001725196610 1425751051 /nfs/dbraw/zinc/75/10/51/1425751051.db2.gz RIYQAUQTUQTKTK-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001725569262 1426229272 /nfs/dbraw/zinc/22/92/72/1426229272.db2.gz SVRRZLPRVVRLBT-AZUAARDMSA-N 2 0 345.531 3.033 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C ZINC001725753607 1426432484 /nfs/dbraw/zinc/43/24/84/1426432484.db2.gz WLIYGLPDPRYCAN-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731297631 1427240139 /nfs/dbraw/zinc/24/01/39/1427240139.db2.gz UJNWKCRCYNOIRY-HKUYNNGSSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731561064 1427597518 /nfs/dbraw/zinc/59/75/18/1427597518.db2.gz YQIUERUHXQHYBQ-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2C)C1 ZINC001731721739 1427793427 /nfs/dbraw/zinc/79/34/27/1427793427.db2.gz YTTJEPZHIABQFP-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001731786337 1427919168 /nfs/dbraw/zinc/91/91/68/1427919168.db2.gz QHNVFWUPMPZHAE-UXHICEINSA-N 2 0 345.531 3.449 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001731786338 1427920108 /nfs/dbraw/zinc/92/01/08/1427920108.db2.gz QHNVFWUPMPZHAE-VQTJNVASSA-N 2 0 345.531 3.449 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001731977545 1428192543 /nfs/dbraw/zinc/19/25/43/1428192543.db2.gz XLOOLMCPRANETP-WMLDXEAASA-N 2 0 339.911 3.035 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001733768779 1429995367 /nfs/dbraw/zinc/99/53/67/1429995367.db2.gz JYZPSAOKKWFUJB-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001733769033 1429996238 /nfs/dbraw/zinc/99/62/38/1429996238.db2.gz LUAOCKXEDYXISS-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC001733779554 1430037056 /nfs/dbraw/zinc/03/70/56/1430037056.db2.gz USXBDTOTQGGERV-UHFFFAOYSA-N 2 0 339.568 3.325 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001733863883 1437692437 /nfs/dbraw/zinc/69/24/37/1437692437.db2.gz GCJNTNQIOQTUII-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001733902127 1437720170 /nfs/dbraw/zinc/72/01/70/1437720170.db2.gz SYSJEHKMSWAKHD-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C)c1ccccc1 ZINC001733921732 1437735702 /nfs/dbraw/zinc/73/57/02/1437735702.db2.gz JXGXAQGQZHQTFI-ZCNNSNEGSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001734051234 1437841062 /nfs/dbraw/zinc/84/10/62/1437841062.db2.gz KSPAAEMKXCJTDT-QGZVFWFLSA-N 2 0 347.547 3.262 20 0 EGADRP C[C@@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC1CCCC1 ZINC001734344978 1438064378 /nfs/dbraw/zinc/06/43/78/1438064378.db2.gz JLJBFKFWGWNCTJ-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001734422937 1438090638 /nfs/dbraw/zinc/09/06/38/1438090638.db2.gz KFTPFQVTFPAJMS-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccccc1C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001751976421 1440129826 /nfs/dbraw/zinc/12/98/26/1440129826.db2.gz ZQPRIBYJWCEOBE-UHFFFAOYSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001752077164 1440138647 /nfs/dbraw/zinc/13/86/47/1440138647.db2.gz CPHUZPLXJYNBPI-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001752154674 1440146749 /nfs/dbraw/zinc/14/67/49/1440146749.db2.gz DJXISOQFBYTILS-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001752302798 1440168156 /nfs/dbraw/zinc/16/81/56/1440168156.db2.gz JYWQOLITMPEBTD-IEBWSBKVSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001752489841 1440186434 /nfs/dbraw/zinc/18/64/34/1440186434.db2.gz BLSXJGNNGBZOQO-AZUAARDMSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001752527922 1440193625 /nfs/dbraw/zinc/19/36/25/1440193625.db2.gz POZCUVNRFGMQNX-FQEVSTJZSA-N 2 0 345.531 3.007 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001752527923 1440193629 /nfs/dbraw/zinc/19/36/29/1440193629.db2.gz POZCUVNRFGMQNX-HXUWFJFHSA-N 2 0 345.531 3.007 20 0 EGADRP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)[NH+](CC)CC ZINC001752698419 1440201504 /nfs/dbraw/zinc/20/15/04/1440201504.db2.gz LUEQNXDFELTSFI-RAFMOHDBSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001752885669 1440239858 /nfs/dbraw/zinc/23/98/58/1440239858.db2.gz OHZAMBCXGHHBCB-KRWDZBQOSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCC(C)(C)CC1 ZINC001752885339 1440239864 /nfs/dbraw/zinc/23/98/64/1440239864.db2.gz TVHJWVRZYUSQRQ-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001752920023 1440248299 /nfs/dbraw/zinc/24/82/99/1440248299.db2.gz PVJXGCRSYFPAJW-ZWKOTPCHSA-N 2 0 331.504 3.108 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001752972159 1440255286 /nfs/dbraw/zinc/25/52/86/1440255286.db2.gz UZYWGCCBVRECLS-MSOLQXFVSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001752979526 1440256779 /nfs/dbraw/zinc/25/67/79/1440256779.db2.gz BUQYROGHUNNQTD-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753000102 1440264146 /nfs/dbraw/zinc/26/41/46/1440264146.db2.gz NJMGGBKGXVUEJW-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001753007293 1440266151 /nfs/dbraw/zinc/26/61/51/1440266151.db2.gz IVBWJQIBEGIWCC-UYAOXDASSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001753028493 1440272167 /nfs/dbraw/zinc/27/21/67/1440272167.db2.gz HSAACGRRNRAHDZ-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001753033887 1440273909 /nfs/dbraw/zinc/27/39/09/1440273909.db2.gz VJFCMPNPRMTJEO-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CC1CCC2(CC2)CC1 ZINC001753094770 1440301947 /nfs/dbraw/zinc/30/19/47/1440301947.db2.gz IKDBNUFPXZPPIG-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001753105240 1440305957 /nfs/dbraw/zinc/30/59/57/1440305957.db2.gz ANQCZLIRQZORHD-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001753105858 1440306109 /nfs/dbraw/zinc/30/61/09/1440306109.db2.gz IVIRKOAPULDDGI-MJGOQNOKSA-N 2 0 343.515 3.121 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753107558 1440306715 /nfs/dbraw/zinc/30/67/15/1440306715.db2.gz GLGVTIROKRJXMO-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH+]2CCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001753118415 1440312708 /nfs/dbraw/zinc/31/27/08/1440312708.db2.gz HUOXKKIXWVOIOA-MOPGFXCFSA-N 2 0 345.531 3.285 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1cccc(F)c1 ZINC001753147569 1440325505 /nfs/dbraw/zinc/32/55/05/1440325505.db2.gz JAIZLBDGRVNXTD-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CC1CCC(C[N@H+](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C2CC2)CC1 ZINC001753155949 1440330756 /nfs/dbraw/zinc/33/07/56/1440330756.db2.gz LRIINNIQDMCFCA-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC(C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C2CC2)C1 ZINC001753155873 1440330836 /nfs/dbraw/zinc/33/08/36/1440330836.db2.gz JRDAMTUHBPTDIQ-UHYCVJNDSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001753227660 1440340866 /nfs/dbraw/zinc/34/08/66/1440340866.db2.gz RWCAXGUFIFPAOO-GFCCVEGCSA-N 2 0 346.302 3.054 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001753262787 1440344361 /nfs/dbraw/zinc/34/43/61/1440344361.db2.gz LQPSOMPEDHXRND-KRWDZBQOSA-N 2 0 349.494 3.201 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCC1 ZINC001753293038 1440351038 /nfs/dbraw/zinc/35/10/38/1440351038.db2.gz VNDBGQASMKFKJQ-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001753315630 1440359282 /nfs/dbraw/zinc/35/92/82/1440359282.db2.gz CAUGTWJTTWOQCP-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001753322876 1440364562 /nfs/dbraw/zinc/36/45/62/1440364562.db2.gz KNDLECUKVLDIDH-IBGZPJMESA-N 2 0 331.504 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001753334161 1440371342 /nfs/dbraw/zinc/37/13/42/1440371342.db2.gz CTWBUAAGRDGWHO-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH+](C)CCC2CCCC2)CC1 ZINC001753367262 1440385945 /nfs/dbraw/zinc/38/59/45/1440385945.db2.gz CMBXQSNCLPNWMA-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001753446267 1440404121 /nfs/dbraw/zinc/40/41/21/1440404121.db2.gz HFLLENGMNLEOIE-RTBURBONSA-N 2 0 345.531 3.239 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001753448205 1440405014 /nfs/dbraw/zinc/40/50/14/1440405014.db2.gz PBDRLVIQDDQLCV-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753459336 1440409704 /nfs/dbraw/zinc/40/97/04/1440409704.db2.gz OUFWYLUWVUFOGQ-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCCCC1 ZINC001753476739 1440415336 /nfs/dbraw/zinc/41/53/36/1440415336.db2.gz HETSFAUJFYCCSI-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001753518973 1440427992 /nfs/dbraw/zinc/42/79/92/1440427992.db2.gz UKMPOAWGMZLAGF-FPOVZHCZSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@H]2C)c1 ZINC001753536303 1440432798 /nfs/dbraw/zinc/43/27/98/1440432798.db2.gz SCJUYTPWJOULMC-NQIIRXRSSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001753562444 1440437132 /nfs/dbraw/zinc/43/71/32/1440437132.db2.gz PQHNLLSWSNXDHO-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753570958 1440438431 /nfs/dbraw/zinc/43/84/31/1440438431.db2.gz UNRFDZDPZSYTFR-RRFGBZISSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[NH2+]CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001753577971 1440439621 /nfs/dbraw/zinc/43/96/21/1440439621.db2.gz PXLNYOQWGCARBX-HDICACEKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1 ZINC001753585166 1440441194 /nfs/dbraw/zinc/44/11/94/1440441194.db2.gz WMNJGMFSYPDCTK-BRSBDYLESA-N 2 0 341.515 3.014 20 0 EGADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CCC1CCCCCC1 ZINC001753637823 1440453525 /nfs/dbraw/zinc/45/35/25/1440453525.db2.gz ONNGCDXBZUJJKO-PKOBYXMFSA-N 2 0 337.552 3.031 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001753645422 1440455595 /nfs/dbraw/zinc/45/55/95/1440455595.db2.gz ZEYMRKHDKBPIPO-AEFFLSMTSA-N 2 0 333.520 3.047 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001753706929 1440469699 /nfs/dbraw/zinc/46/96/99/1440469699.db2.gz JCQHCQBYTQBENO-SFHVURJKSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)N(C)C(=O)CC[NH+](C)C ZINC001753710528 1440470447 /nfs/dbraw/zinc/47/04/47/1440470447.db2.gz DQGXUOJRTADJBD-WWDZGPRUSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001753739413 1440478642 /nfs/dbraw/zinc/47/86/42/1440478642.db2.gz CYTGCUAPLJHUMC-SFHVURJKSA-N 2 0 339.568 3.275 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001753745346 1440480751 /nfs/dbraw/zinc/48/07/51/1440480751.db2.gz UVKHKIADDNQJAW-UXHICEINSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001753759303 1440483732 /nfs/dbraw/zinc/48/37/32/1440483732.db2.gz LBSUUTNGSZPUJN-UYAOXDASSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1)C1CCC1 ZINC001753779673 1440487143 /nfs/dbraw/zinc/48/71/43/1440487143.db2.gz MUTMAGTWNRDZMU-HXUWFJFHSA-N 2 0 343.515 3.032 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001753785472 1440488042 /nfs/dbraw/zinc/48/80/42/1440488042.db2.gz UKILNNIYPULFJC-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753794668 1440489477 /nfs/dbraw/zinc/48/94/77/1440489477.db2.gz QCBBYKKDESMKTJ-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1F ZINC001753797948 1440490260 /nfs/dbraw/zinc/49/02/60/1440490260.db2.gz OVUQVTJLWBWEQI-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001753814386 1440493438 /nfs/dbraw/zinc/49/34/38/1440493438.db2.gz QCUCMIGZEBBLDM-MOPGFXCFSA-N 2 0 337.552 3.269 20 0 EGADRP CC1CC(C[N@H+](C)CCC2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001753820089 1440495514 /nfs/dbraw/zinc/49/55/14/1440495514.db2.gz OPXBEOIYGACOAP-LYBXBRPPSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869187 1440516530 /nfs/dbraw/zinc/51/65/30/1440516530.db2.gz KJHOWLXPFPYCEZ-QGZVFWFLSA-N 2 0 349.494 3.153 20 0 EGADRP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753889817 1440521776 /nfs/dbraw/zinc/52/17/76/1440521776.db2.gz UTTDOEJXXMNDCJ-AEFFLSMTSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753899816 1440523389 /nfs/dbraw/zinc/52/33/89/1440523389.db2.gz OZQNMIYJHFSMTJ-WOJBJXKFSA-N 2 0 345.531 3.282 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001753900560 1440523418 /nfs/dbraw/zinc/52/34/18/1440523418.db2.gz ZHGXMWUGYGPXGQ-XHHZUUQWSA-N 2 0 349.563 3.338 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753901730 1440523547 /nfs/dbraw/zinc/52/35/47/1440523547.db2.gz LNRIQIOXKFHXLT-UXHICEINSA-N 2 0 345.531 3.282 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001754025305 1440533094 /nfs/dbraw/zinc/53/30/94/1440533094.db2.gz ILQVUYAFTJDHLV-QFBILLFUSA-N 2 0 349.494 3.015 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001754225507 1440553240 /nfs/dbraw/zinc/55/32/40/1440553240.db2.gz YZDNLWGUZYZXBX-OXQOHEQNSA-N 2 0 343.515 3.031 20 0 EGADRP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001754317428 1440576172 /nfs/dbraw/zinc/57/61/72/1440576172.db2.gz DBHQJUVHFVWNLZ-KRWDZBQOSA-N 2 0 347.547 3.277 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001754336670 1440586645 /nfs/dbraw/zinc/58/66/45/1440586645.db2.gz OIPWMERDJYWBEH-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001754371104 1440592567 /nfs/dbraw/zinc/59/25/67/1440592567.db2.gz XXQROLBRAMIALT-HXUWFJFHSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCCCC1 ZINC001754400437 1440595121 /nfs/dbraw/zinc/59/51/21/1440595121.db2.gz AAYWBZDUPFDQPE-RBUKOAKNSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001754463978 1440603915 /nfs/dbraw/zinc/60/39/15/1440603915.db2.gz HHKIFAZXJACSPW-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001754468683 1440604854 /nfs/dbraw/zinc/60/48/54/1440604854.db2.gz VPTDIILNEWGJPQ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001754493307 1440610910 /nfs/dbraw/zinc/61/09/10/1440610910.db2.gz UTILPSCVYVPJCG-APWZRJJASA-N 2 0 331.504 3.013 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754495904 1440612332 /nfs/dbraw/zinc/61/23/32/1440612332.db2.gz AVJBSURGQGNJGA-XLIONFOSSA-N 2 0 345.531 3.403 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001754540250 1440625952 /nfs/dbraw/zinc/62/59/52/1440625952.db2.gz XPQFZNTXKLYRIN-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001754541023 1440626217 /nfs/dbraw/zinc/62/62/17/1440626217.db2.gz OVSFBLGKTQKFNR-BHNSQDDESA-N 2 0 347.547 3.186 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001754542284 1440626400 /nfs/dbraw/zinc/62/64/00/1440626400.db2.gz LMKHNEZNMMOVID-WKOLEINNSA-N 2 0 347.547 3.281 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001754565735 1440635388 /nfs/dbraw/zinc/63/53/88/1440635388.db2.gz SJYQTJVBKQZRFG-TZIWHRDSSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](CC)CC ZINC001754567983 1440636302 /nfs/dbraw/zinc/63/63/02/1440636302.db2.gz YBRPYSXMZGUXDM-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)c(C)c1 ZINC001754598404 1440642021 /nfs/dbraw/zinc/64/20/21/1440642021.db2.gz IYQOVHCAHATAFB-RTBURBONSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001754604426 1440642971 /nfs/dbraw/zinc/64/29/71/1440642971.db2.gz WSDDPIILBCASIU-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1)[NH+](CC)CC ZINC001754616706 1440644656 /nfs/dbraw/zinc/64/46/56/1440644656.db2.gz NNSDDVDOSOEAOU-RBUKOAKNSA-N 2 0 349.494 3.027 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001754626997 1440646624 /nfs/dbraw/zinc/64/66/24/1440646624.db2.gz SRCZNIZKKCDJLZ-INIZCTEOSA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)CCC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001754627753 1440646789 /nfs/dbraw/zinc/64/67/89/1440646789.db2.gz XHRFMJWEZPPJEJ-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001754679399 1440661542 /nfs/dbraw/zinc/66/15/42/1440661542.db2.gz QTVGNRCWEDGORC-AQIYZVDXSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CC2CCCCCC2)C1 ZINC001754685201 1440664667 /nfs/dbraw/zinc/66/46/67/1440664667.db2.gz GIQIZHVNFOTVED-NRFANRHFSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@@]1(C[NH2+]CC2CCCC2)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001754711545 1440670380 /nfs/dbraw/zinc/67/03/80/1440670380.db2.gz AYJRQOZJAGKDHB-NRFANRHFSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754727474 1440676924 /nfs/dbraw/zinc/67/69/24/1440676924.db2.gz MLBIJFOIVJIYNF-NQIIRXRSSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC(C)(C)C)C1 ZINC001754727844 1440677080 /nfs/dbraw/zinc/67/70/80/1440677080.db2.gz OMZNUAJCCAEVBC-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734265 1440681427 /nfs/dbraw/zinc/68/14/27/1440681427.db2.gz ULORVTXOHWRYTJ-RRFGBZISSA-N 2 0 335.536 3.047 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CCCC1)C2 ZINC001754783079 1440686837 /nfs/dbraw/zinc/68/68/37/1440686837.db2.gz LBLHYZOVHCDMJE-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCCC1)C2 ZINC001754784446 1440687226 /nfs/dbraw/zinc/68/72/26/1440687226.db2.gz ZYBFRVXMUKRAEV-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754796753 1440689708 /nfs/dbraw/zinc/68/97/08/1440689708.db2.gz GDGCQDLVHNGTPT-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754807129 1440691407 /nfs/dbraw/zinc/69/14/07/1440691407.db2.gz LWPSOATYGUEHIH-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001754871825 1440705449 /nfs/dbraw/zinc/70/54/49/1440705449.db2.gz MTQVWDLHGIYTIQ-OALUTQOASA-N 2 0 335.536 3.118 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001754948547 1440714339 /nfs/dbraw/zinc/71/43/39/1440714339.db2.gz KGSRKUUOHBISPH-QGZVFWFLSA-N 2 0 343.515 3.261 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1)C1CCC1 ZINC001754953157 1440715531 /nfs/dbraw/zinc/71/55/31/1440715531.db2.gz UVYTWSNXPNMMPL-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001755024680 1440728220 /nfs/dbraw/zinc/72/82/20/1440728220.db2.gz GILPZKBVAUONQF-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755034437 1440733636 /nfs/dbraw/zinc/73/36/36/1440733636.db2.gz RAKWKKLTVWCDDJ-RTBURBONSA-N 2 0 345.531 3.367 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC001755037478 1440735089 /nfs/dbraw/zinc/73/50/89/1440735089.db2.gz XEYUZNUGLLETOY-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001755101581 1440752860 /nfs/dbraw/zinc/75/28/60/1440752860.db2.gz QLTDPYFXUIBNDF-UHFFFAOYSA-N 2 0 343.515 3.150 20 0 EGADRP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001755129041 1440756766 /nfs/dbraw/zinc/75/67/66/1440756766.db2.gz AIPFLRGTZLSMNE-HPFMTEOYSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCC(C)(C)C ZINC001755163241 1440765685 /nfs/dbraw/zinc/76/56/85/1440765685.db2.gz FPJLHNQDJAHSCX-SJORKVTESA-N 2 0 339.568 3.370 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001755168081 1440767858 /nfs/dbraw/zinc/76/78/58/1440767858.db2.gz WWTBCYLPSKNJTE-GGVAOPBYSA-N 2 0 349.563 3.432 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001755170529 1440768433 /nfs/dbraw/zinc/76/84/33/1440768433.db2.gz ZEHCAVJNIHWBNR-JPLJXNOCSA-N 2 0 345.531 3.271 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1c2ccccc2CC[NH+]1CC=C(C)C ZINC001755171146 1440768943 /nfs/dbraw/zinc/76/89/43/1440768943.db2.gz LLCGAIWGTFWCKD-HXUWFJFHSA-N 2 0 343.515 3.010 20 0 EGADRP CCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001755176178 1440770855 /nfs/dbraw/zinc/77/08/55/1440770855.db2.gz VWBAWBIMBJHLFY-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccccc1C ZINC001755200348 1440779533 /nfs/dbraw/zinc/77/95/33/1440779533.db2.gz GNEQYCSZMBYMOR-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001755212896 1440783616 /nfs/dbraw/zinc/78/36/16/1440783616.db2.gz LFWJHPMGRCIICQ-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CCC1CCCC1 ZINC001755262840 1440795041 /nfs/dbraw/zinc/79/50/41/1440795041.db2.gz NHGYENYFVYYGKS-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001755271428 1440797862 /nfs/dbraw/zinc/79/78/62/1440797862.db2.gz SSBRDRPNNPBBNS-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755275813 1440799004 /nfs/dbraw/zinc/79/90/04/1440799004.db2.gz IEWKGWQDUFIUIJ-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1=CCCCC1 ZINC001755287567 1440802469 /nfs/dbraw/zinc/80/24/69/1440802469.db2.gz FOMKFFCXBJEEMT-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001755352845 1440828279 /nfs/dbraw/zinc/82/82/79/1440828279.db2.gz PBLYTLIMRVDPSJ-MOPGFXCFSA-N 2 0 347.547 3.212 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCC(C)(C)C)C1 ZINC001755367382 1440835330 /nfs/dbraw/zinc/83/53/30/1440835330.db2.gz GPUIHOFDBPXQEE-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755368484 1440836067 /nfs/dbraw/zinc/83/60/67/1440836067.db2.gz RXDNMQFYQVDDJS-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001755412559 1440846976 /nfs/dbraw/zinc/84/69/76/1440846976.db2.gz VPPUXBABCCLTLQ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001755531014 1440867337 /nfs/dbraw/zinc/86/73/37/1440867337.db2.gz YNDPLQXTEHGBSF-HXUWFJFHSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001755571150 1440876889 /nfs/dbraw/zinc/87/68/89/1440876889.db2.gz OBXLHYKVTBRZHG-WOJBJXKFSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001755590664 1440881481 /nfs/dbraw/zinc/88/14/81/1440881481.db2.gz PQYPLDJIESBLDT-PXNSSMCTSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001755658624 1440892379 /nfs/dbraw/zinc/89/23/79/1440892379.db2.gz KKMBPWOLZOSCRK-FXAWDEMLSA-N 2 0 345.531 3.231 20 0 EGADRP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001755699516 1440899295 /nfs/dbraw/zinc/89/92/95/1440899295.db2.gz BYWJXQMBVCBBFU-CMKODMSKSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001755703516 1440901366 /nfs/dbraw/zinc/90/13/66/1440901366.db2.gz YKERFBGOFPKUCG-ICSRJNTNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001755722003 1440907769 /nfs/dbraw/zinc/90/77/69/1440907769.db2.gz DNQKLVXKDTXWDH-IAGOWNOFSA-N 2 0 325.541 3.122 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755826301 1440927419 /nfs/dbraw/zinc/92/74/19/1440927419.db2.gz ODTQBNGZXRZQBS-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]CC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001755837534 1440930719 /nfs/dbraw/zinc/93/07/19/1440930719.db2.gz SJYFQORPJLZJLB-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001755851492 1440935119 /nfs/dbraw/zinc/93/51/19/1440935119.db2.gz YVQWTLDWEZUQDT-KRWDZBQOSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N(C)CC2CC[NH+](C)CC2)nc1 ZINC001165045128 721938657 /nfs/dbraw/zinc/93/86/57/721938657.db2.gz URNGTOVYOQDKKV-IBGZPJMESA-N 2 0 330.520 3.407 20 0 EGADRP CC[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530559 168369049 /nfs/dbraw/zinc/36/90/49/168369049.db2.gz NLRVELWZHQJGAW-ICSRJNTNSA-N 2 0 326.488 3.373 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159132982 529707319 /nfs/dbraw/zinc/70/73/19/529707319.db2.gz ZMQQYXQAQJWREN-QGZVFWFLSA-N 2 0 338.499 3.247 20 0 EGADRP C[N@H+](C[C@H](O)Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977801 529961733 /nfs/dbraw/zinc/96/17/33/529961733.db2.gz AZUPXUYNUSYJOA-FCHUYYIVSA-N 2 0 338.495 3.044 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000177927040 232034540 /nfs/dbraw/zinc/03/45/40/232034540.db2.gz QTRZTWUCDZZJPY-XJKCOSOUSA-N 2 0 341.293 3.146 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178105157 232083550 /nfs/dbraw/zinc/08/35/50/232083550.db2.gz XBRCVPQDLMZPMB-LJQANCHMSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC[N@@H+]1C ZINC000178462525 232174061 /nfs/dbraw/zinc/17/40/61/232174061.db2.gz AXRZVIOIRZWMFV-WMZOPIPTSA-N 2 0 344.499 3.342 20 0 EGADRP Cc1noc(CCC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000268643009 282396534 /nfs/dbraw/zinc/39/65/34/282396534.db2.gz HSIIBAKXYRQTRI-UHFFFAOYSA-N 2 0 342.487 3.155 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+]CCN3CCC([NH+](C)C)CC3)oc21 ZINC000181857886 234354813 /nfs/dbraw/zinc/35/48/13/234354813.db2.gz UYVBQMWDUFZQFM-HNNXBMFYSA-N 2 0 345.487 3.118 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(C)s1 ZINC000130453866 223154048 /nfs/dbraw/zinc/15/40/48/223154048.db2.gz OLKOUMKNCCYDKN-OAHLLOKOSA-N 2 0 344.528 3.363 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193994265 240392581 /nfs/dbraw/zinc/39/25/81/240392581.db2.gz NZJNULSDAGDAOC-NJDAHSKKSA-N 2 0 340.511 3.446 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000236659310 242308627 /nfs/dbraw/zinc/30/86/27/242308627.db2.gz HIVSZYZOCYWCSU-QGZVFWFLSA-N 2 0 349.544 3.027 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000236877283 242392902 /nfs/dbraw/zinc/39/29/02/242392902.db2.gz GMZKCICUWVKKND-QZTJIDSGSA-N 2 0 345.512 3.337 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cnn(C)c1 ZINC000370329129 299382694 /nfs/dbraw/zinc/38/26/94/299382694.db2.gz ZLOJNWOHIJUJRU-XIGKFDRGSA-N 2 0 338.499 3.371 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3occc3C)cc2)CC1 ZINC000266169266 248145918 /nfs/dbraw/zinc/14/59/18/248145918.db2.gz BWAOUBXVGABORP-UHFFFAOYSA-N 2 0 327.472 3.015 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378178502 169081109 /nfs/dbraw/zinc/08/11/09/169081109.db2.gz UDNIIHBNPREZJP-APIJFGDWSA-N 2 0 341.952 3.119 20 0 EGADRP COc1ccc([C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091283334 217988908 /nfs/dbraw/zinc/98/89/08/217988908.db2.gz PMVBBMCDIFGIND-RTWAWAEBSA-N 2 0 347.547 3.254 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(C)ccc1OC ZINC000093373041 218220004 /nfs/dbraw/zinc/22/00/04/218220004.db2.gz CIOBQHLKOJVWCH-LJQANCHMSA-N 2 0 333.520 3.070 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261679376 296314274 /nfs/dbraw/zinc/31/42/74/296314274.db2.gz GQTATEGDXKNVEL-MBOZVWFJSA-N 2 0 343.515 3.052 20 0 EGADRP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000262232442 296320854 /nfs/dbraw/zinc/32/08/54/296320854.db2.gz OBTJSXUGVMYSGN-SLFFLAALSA-N 2 0 341.499 3.214 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000268746920 252196932 /nfs/dbraw/zinc/19/69/32/252196932.db2.gz AYHILSFLDDGFRJ-ZRGWGRIASA-N 2 0 344.503 3.350 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257286 /nfs/dbraw/zinc/25/72/86/252257286.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268870838 252319557 /nfs/dbraw/zinc/31/95/57/252319557.db2.gz HNYMHVPMZLGDSV-QGZVFWFLSA-N 2 0 344.503 3.263 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000248434748 285322029 /nfs/dbraw/zinc/32/20/29/285322029.db2.gz FAEDGEPGQNIRNY-CTNGQTDRSA-N 2 0 340.442 3.169 20 0 EGADRP C[NH+](C)CCCOc1cccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000119697541 221379899 /nfs/dbraw/zinc/37/98/99/221379899.db2.gz UKPBCVXDXOXRNT-LJQANCHMSA-N 2 0 341.455 3.046 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000155109691 224360431 /nfs/dbraw/zinc/36/04/31/224360431.db2.gz JVNHGBISYGSVRB-KGLIPLIRSA-N 2 0 343.487 3.288 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000155144081 224366317 /nfs/dbraw/zinc/36/63/17/224366317.db2.gz YSJMBJWPSITIOW-QZTJIDSGSA-N 2 0 338.499 3.035 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000153170913 533364152 /nfs/dbraw/zinc/36/41/52/533364152.db2.gz AJLTVIARIJYCPH-HLLBOEOZSA-N 2 0 334.504 3.300 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000153705241 533502893 /nfs/dbraw/zinc/50/28/93/533502893.db2.gz TTYPJQSYSLMEKZ-NFAWXSAZSA-N 2 0 342.430 3.157 20 0 EGADRP CC(C)C[C@H](NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000246996076 141048366 /nfs/dbraw/zinc/04/83/66/141048366.db2.gz PTNRGOPTWQAUOR-ICSRJNTNSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338046758 141081257 /nfs/dbraw/zinc/08/12/57/141081257.db2.gz LDSONILYHZFZMH-GJNTUIEKSA-N 2 0 343.515 3.199 20 0 EGADRP Fc1ccc(-n2cc(C[NH2+]CCCCC[NH+]3CCCC3)cn2)cc1 ZINC000339501448 141124315 /nfs/dbraw/zinc/12/43/15/141124315.db2.gz XOUPDXYXLVCXGT-UHFFFAOYSA-N 2 0 330.451 3.367 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)cc1 ZINC000356832602 141350753 /nfs/dbraw/zinc/35/07/53/141350753.db2.gz ASBKAXLFPZRQOJ-IAGOWNOFSA-N 2 0 331.504 3.083 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000356832604 141350904 /nfs/dbraw/zinc/35/09/04/141350904.db2.gz ASBKAXLFPZRQOJ-IRXDYDNUSA-N 2 0 331.504 3.083 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000168757302 143994662 /nfs/dbraw/zinc/99/46/62/143994662.db2.gz NODQOPQORXSORY-WMZOPIPTSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)OC(=O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184754176 144098847 /nfs/dbraw/zinc/09/88/47/144098847.db2.gz QPLOJYLEWHKEQZ-IAGOWNOFSA-N 2 0 332.488 3.074 20 0 EGADRP CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185601935 144116208 /nfs/dbraw/zinc/11/62/08/144116208.db2.gz MWKIHTCLKLRPIE-XLIONFOSSA-N 2 0 343.515 3.019 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@H]12 ZINC000351489395 144268478 /nfs/dbraw/zinc/26/84/78/144268478.db2.gz HAFQDKMVHJOVJB-LSTHTHJFSA-N 2 0 347.547 3.150 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000351522839 144273683 /nfs/dbraw/zinc/27/36/83/144273683.db2.gz BLQSCXBQRWFBMO-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CCCO3)CC2)[C@H](C)C1 ZINC000370063682 286058723 /nfs/dbraw/zinc/05/87/23/286058723.db2.gz RSULDVMBRPDPOG-ADEKHHIBSA-N 2 0 338.536 3.205 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341407061 155275176 /nfs/dbraw/zinc/27/51/76/155275176.db2.gz VDINVAMKCDQPMK-XLIONFOSSA-N 2 0 343.515 3.203 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc(OC)c1OC ZINC000261607926 286221964 /nfs/dbraw/zinc/22/19/64/286221964.db2.gz DCRHIQXSGGYKLC-HOCLYGCPSA-N 2 0 336.476 3.113 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341450094 155297773 /nfs/dbraw/zinc/29/77/73/155297773.db2.gz GWLBTFMJSYZOOI-UHFFFAOYSA-N 2 0 344.547 3.148 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CCC[NH+]1C ZINC000120325033 152267955 /nfs/dbraw/zinc/26/79/55/152267955.db2.gz QQCOGBIABHJLLE-IBGZPJMESA-N 2 0 326.488 3.425 20 0 EGADRP COc1cccc(C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C2CC2)c1 ZINC000121049559 152321315 /nfs/dbraw/zinc/32/13/15/152321315.db2.gz NFZDVYHNOWMXCO-FQEVSTJZSA-N 2 0 339.483 3.381 20 0 EGADRP CCc1noc(C)c1C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000122125395 152391893 /nfs/dbraw/zinc/39/18/93/152391893.db2.gz WUMZIOPMEPNFDO-UHFFFAOYSA-N 2 0 337.508 3.116 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000192042641 153239001 /nfs/dbraw/zinc/23/90/01/153239001.db2.gz NFXQIYUBUPEIDR-LJQANCHMSA-N 2 0 338.499 3.489 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N1CCC(C)CC1 ZINC000341622095 155386984 /nfs/dbraw/zinc/38/69/84/155386984.db2.gz CQIGKMQUDNEMHV-UHFFFAOYSA-N 2 0 346.519 3.163 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000262965479 153876479 /nfs/dbraw/zinc/87/64/79/153876479.db2.gz LGFABCXSWIAPRO-UYAOXDASSA-N 2 0 347.503 3.253 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000166034619 286443165 /nfs/dbraw/zinc/44/31/65/286443165.db2.gz UIYUKPMVHOYPRO-MJGOQNOKSA-N 2 0 334.504 3.464 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000340003978 155067925 /nfs/dbraw/zinc/06/79/25/155067925.db2.gz OXDDKXVKKVKJRO-DLBZAZTESA-N 2 0 348.450 3.069 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347003933 156241177 /nfs/dbraw/zinc/24/11/77/156241177.db2.gz ADNOFTRYDIUPCV-DLBZAZTESA-N 2 0 325.456 3.220 20 0 EGADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000348892120 156277950 /nfs/dbraw/zinc/27/79/50/156277950.db2.gz HSWWFJVYOKEBNY-RTBURBONSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)cc1 ZINC000348964398 156302562 /nfs/dbraw/zinc/30/25/62/156302562.db2.gz QPZTWGSIMYCSRI-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC000349033785 156324750 /nfs/dbraw/zinc/32/47/50/156324750.db2.gz BCJRSNVFSFVYQG-UHFFFAOYSA-N 2 0 341.499 3.404 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc2[nH]ccc21 ZINC000349039490 156328770 /nfs/dbraw/zinc/32/87/70/156328770.db2.gz YJOBNSNSRREMPW-SFHVURJKSA-N 2 0 328.504 3.016 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000093769460 162026469 /nfs/dbraw/zinc/02/64/69/162026469.db2.gz DIGFGCHZDSSNJF-UHFFFAOYSA-N 2 0 334.504 3.266 20 0 EGADRP CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000126464962 162304516 /nfs/dbraw/zinc/30/45/16/162304516.db2.gz AXIXWDJOVWVCAL-FQEVSTJZSA-N 2 0 345.531 3.408 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000127235855 162327250 /nfs/dbraw/zinc/32/72/50/162327250.db2.gz MPICUUQHTRFYCR-IXDOHACOSA-N 2 0 349.494 3.043 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000130365064 162365183 /nfs/dbraw/zinc/36/51/83/162365183.db2.gz PAQRXXSQIZCSMI-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(Cl)ccc1OC ZINC000151803323 162604013 /nfs/dbraw/zinc/60/40/13/162604013.db2.gz QRCUVAMSKGMBDU-QGZVFWFLSA-N 2 0 340.895 3.094 20 0 EGADRP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248452007 163006244 /nfs/dbraw/zinc/00/62/44/163006244.db2.gz PQAPJHJRUVXHKT-SCLBCKFNSA-N 2 0 345.512 3.177 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248663329 163027450 /nfs/dbraw/zinc/02/74/50/163027450.db2.gz ZMRAMAQBTVIWEE-YHDCXSKOSA-N 2 0 342.483 3.113 20 0 EGADRP CCc1nc2cc(CNC(=O)C[N@@H+](CC)C3CC3)ccc2n1C1CC1 ZINC000338504554 163250625 /nfs/dbraw/zinc/25/06/25/163250625.db2.gz WBNGMVJLGNAIPN-UHFFFAOYSA-N 2 0 340.471 3.034 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2ccccc21 ZINC000338695483 163320881 /nfs/dbraw/zinc/32/08/81/163320881.db2.gz QJVHTIYUXCHLPH-DBVUQKKJSA-N 2 0 344.499 3.490 20 0 EGADRP C[C@H](C[NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1 ZINC000342458203 163884680 /nfs/dbraw/zinc/88/46/80/163884680.db2.gz SOVOCEGIRBPLIS-MRXNPFEDSA-N 2 0 345.462 3.445 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(F)c3cccnc23)C[C@H](C)O1 ZINC000343779821 164033525 /nfs/dbraw/zinc/03/35/25/164033525.db2.gz KZEWNSJNIQICQW-IYBDPMFKSA-N 2 0 345.462 3.353 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cn4c(n3)SCC4)CC2)C1 ZINC000344118151 164107913 /nfs/dbraw/zinc/10/79/13/164107913.db2.gz AYHLBJTYBPFCMP-YJBOKZPZSA-N 2 0 348.560 3.164 20 0 EGADRP CCN(CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000354823803 166041141 /nfs/dbraw/zinc/04/11/41/166041141.db2.gz XZRXEXUCUNUQLG-MRXNPFEDSA-N 2 0 335.458 3.211 20 0 EGADRP CC[C@@]1(C)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000344246271 164135831 /nfs/dbraw/zinc/13/58/31/164135831.db2.gz XCZQXYDLUBMCNM-NRFANRHFSA-N 2 0 343.515 3.021 20 0 EGADRP CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000345760191 164260513 /nfs/dbraw/zinc/26/05/13/164260513.db2.gz CYUSGBFNAPNSKQ-IBGZPJMESA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)cc1)C1CC1 ZINC000345891873 164288286 /nfs/dbraw/zinc/28/82/86/164288286.db2.gz SUIOCBKLZGNMNK-PMACEKPBSA-N 2 0 341.499 3.028 20 0 EGADRP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000345940135 164300437 /nfs/dbraw/zinc/30/04/37/164300437.db2.gz XCGIJIIXOITEGY-FQEVSTJZSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000126777453 287050526 /nfs/dbraw/zinc/05/05/26/287050526.db2.gz SNYPQTHWWZTZSU-CVEARBPZSA-N 2 0 349.494 3.043 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](CC)CC ZINC000346154185 164352310 /nfs/dbraw/zinc/35/23/10/164352310.db2.gz SNLAVGNXSDOIOY-IPMKNSEASA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000350144936 165011498 /nfs/dbraw/zinc/01/14/98/165011498.db2.gz FWYYUVJOOYWXCV-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP Cc1ccn2c(C[N@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)cnc2c1 ZINC000350230145 165020463 /nfs/dbraw/zinc/02/04/63/165020463.db2.gz YGIRHVRQMINLGI-UHFFFAOYSA-N 2 0 349.482 3.386 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C)cc1Br ZINC000350361110 165036478 /nfs/dbraw/zinc/03/64/78/165036478.db2.gz VTDHGMNXALZCKS-UHFFFAOYSA-N 2 0 343.309 3.206 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCCO2)[C@@H](C)C1 ZINC000354989411 166080443 /nfs/dbraw/zinc/08/04/43/166080443.db2.gz YVHQOECPKRLLTK-OTWHNJEPSA-N 2 0 326.525 3.062 20 0 EGADRP Cc1ccc2[nH]c(CN3CCC([N@H+](C)CCCO)CC3)cc2c1C ZINC000351996882 165184753 /nfs/dbraw/zinc/18/47/53/165184753.db2.gz QLJVCZWYOUHGEA-UHFFFAOYSA-N 2 0 329.488 3.063 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000352012472 165192215 /nfs/dbraw/zinc/19/22/15/165192215.db2.gz FOAUAUDTSBQIMU-DLBZAZTESA-N 2 0 331.504 3.082 20 0 EGADRP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000355051668 166093432 /nfs/dbraw/zinc/09/34/32/166093432.db2.gz IJJSTCLSXCPWCX-PMACEKPBSA-N 2 0 339.483 3.146 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CC[NH+](C)CC1 ZINC000353196480 165669057 /nfs/dbraw/zinc/66/90/57/165669057.db2.gz XBRZMCXUDUMZCV-UHFFFAOYSA-N 2 0 334.529 3.392 20 0 EGADRP C[N@H+](CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000355193473 166128010 /nfs/dbraw/zinc/12/80/10/166128010.db2.gz IIQPBIQZHXIUIO-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC(C)Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000355292422 166155633 /nfs/dbraw/zinc/15/56/33/166155633.db2.gz PAVXXYKYLJRIAV-OYRHEFFESA-N 2 0 338.499 3.103 20 0 EGADRP CN(C)[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1cccc(Cl)c1 ZINC000355347275 166170234 /nfs/dbraw/zinc/17/02/34/166170234.db2.gz MHQOWMXJTJFIKA-KRWDZBQOSA-N 2 0 349.906 3.030 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000355807195 166315132 /nfs/dbraw/zinc/31/51/32/166315132.db2.gz GOBWHVUVLINRKJ-MBOZVWFJSA-N 2 0 343.515 3.226 20 0 EGADRP CC[C@H](C(=O)N(CC)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000355996975 166369801 /nfs/dbraw/zinc/36/98/01/166369801.db2.gz ZPCVPPKHWXIYDD-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000359221721 167100279 /nfs/dbraw/zinc/10/02/79/167100279.db2.gz HYZGSLFAFQWJGC-MRXNPFEDSA-N 2 0 347.503 3.278 20 0 EGADRP CC(C)(C)OC1CC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000359240977 167104156 /nfs/dbraw/zinc/10/41/56/167104156.db2.gz ZFTJSPZVTYVWGN-IOJLRTSASA-N 2 0 346.515 3.079 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000359311017 167122468 /nfs/dbraw/zinc/12/24/68/167122468.db2.gz KJZJFMBRGSLQJM-QUCCMNQESA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000359332518 167128197 /nfs/dbraw/zinc/12/81/97/167128197.db2.gz OIRFIQVDHWSMRU-LJQANCHMSA-N 2 0 331.504 3.240 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000359535791 167183363 /nfs/dbraw/zinc/18/33/63/167183363.db2.gz VXHMGGWBCBBBHH-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000366965939 168163105 /nfs/dbraw/zinc/16/31/05/168163105.db2.gz JKMNDPRMKYCGQJ-CALCHBBNSA-N 2 0 348.535 3.094 20 0 EGADRP C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030484 168171292 /nfs/dbraw/zinc/17/12/92/168171292.db2.gz QSFDFKFAPPWDSU-YLJYHZDGSA-N 2 0 349.950 3.230 20 0 EGADRP CCCC[N@H+](CCCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000367656371 168255429 /nfs/dbraw/zinc/25/54/29/168255429.db2.gz BWVXAMLBOQZCFQ-UHFFFAOYSA-N 2 0 347.547 3.202 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)cc1 ZINC000367668657 168257302 /nfs/dbraw/zinc/25/73/02/168257302.db2.gz JDPGRISVHBHQND-IFMALSPDSA-N 2 0 339.527 3.235 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367904964 168282714 /nfs/dbraw/zinc/28/27/14/168282714.db2.gz SPNVIDQDAJCSKR-PMXSJFBMSA-N 2 0 330.516 3.285 20 0 EGADRP C[N@H+](C/C=C/c1ccc(F)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368051268 168303729 /nfs/dbraw/zinc/30/37/29/168303729.db2.gz LNRZMXLEHITBSQ-OAJJDEHYSA-N 2 0 349.469 3.078 20 0 EGADRP Cn1cncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368091043 168309184 /nfs/dbraw/zinc/30/91/84/168309184.db2.gz VFAKGGAHOIEINJ-CEWLAPEOSA-N 2 0 338.499 3.201 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000123280800 222247599 /nfs/dbraw/zinc/24/75/99/222247599.db2.gz QMBQKLKGGDUCIS-UHFFFAOYSA-N 2 0 335.467 3.208 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000125349607 222551136 /nfs/dbraw/zinc/55/11/36/222551136.db2.gz JJQIRRRFSSWIHO-CQSZACIVSA-N 2 0 336.476 3.095 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185895667 265506647 /nfs/dbraw/zinc/50/66/47/265506647.db2.gz PFRWOWZGZHMLGO-UHFFFAOYSA-N 2 0 343.437 3.211 20 0 EGADRP Cc1ccc(CN(C)CC(O)C[N@H+](C)Cc2ccc(C)s2)s1 ZINC000194473149 266120691 /nfs/dbraw/zinc/12/06/91/266120691.db2.gz BCTQQVDCCYNRLE-UHFFFAOYSA-N 2 0 338.542 3.351 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000269083833 266284823 /nfs/dbraw/zinc/28/48/23/266284823.db2.gz OZTSRHUEMRODRA-JSGCOSHPSA-N 2 0 348.409 3.435 20 0 EGADRP COc1c(C)cnc(CN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1C ZINC000269650258 266334268 /nfs/dbraw/zinc/33/42/68/266334268.db2.gz IFEDLLUBSDKBGD-SFHVURJKSA-N 2 0 345.487 3.072 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273138660 266982310 /nfs/dbraw/zinc/98/23/10/266982310.db2.gz DJSGPZFQZGJGDG-APWZRJJASA-N 2 0 347.547 3.236 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000273254779 267006398 /nfs/dbraw/zinc/00/63/98/267006398.db2.gz DYDWHUIDUVMRQZ-QZTJIDSGSA-N 2 0 346.515 3.464 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273258290 267007901 /nfs/dbraw/zinc/00/79/01/267007901.db2.gz SRYJJGNHCZLOGN-PKOBYXMFSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000274666528 267270318 /nfs/dbraw/zinc/27/03/18/267270318.db2.gz WVILOXMSLCTYAK-LSJNQWAISA-N 2 0 335.923 3.202 20 0 EGADRP Fc1cc(Cl)cc(CN2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000275270119 267339198 /nfs/dbraw/zinc/33/91/98/267339198.db2.gz LHOLGPXHGIPADP-UHFFFAOYSA-N 2 0 326.843 3.023 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275559850 267382816 /nfs/dbraw/zinc/38/28/16/267382816.db2.gz BAFQOOZOPHHQMR-UHFFFAOYSA-N 2 0 348.535 3.424 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCCCC1 ZINC000275926249 267452140 /nfs/dbraw/zinc/45/21/40/267452140.db2.gz VENJKOOGNYHOTP-LJQANCHMSA-N 2 0 331.504 3.240 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000361529298 274135559 /nfs/dbraw/zinc/13/55/59/274135559.db2.gz DJNQLTPAKCFLQU-IIBYNOLFSA-N 2 0 344.499 3.163 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181250115 274340535 /nfs/dbraw/zinc/34/05/35/274340535.db2.gz JCGUMFGZXSQZQG-UHQDVWGKSA-N 2 0 339.886 3.376 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2scnc2C)CC1 ZINC000179678472 275203131 /nfs/dbraw/zinc/20/31/31/275203131.db2.gz FYEPVCFEBUJFGH-UHFFFAOYSA-N 2 0 339.549 3.064 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(OCC[NH+](C)C)c1 ZINC000268819634 275235897 /nfs/dbraw/zinc/23/58/97/275235897.db2.gz NRUGTPSXBMXCJC-HNAYVOBHSA-N 2 0 342.487 3.089 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc(OCC[NH+](C)C)c1 ZINC000268819630 275235963 /nfs/dbraw/zinc/23/59/63/275235963.db2.gz NRUGTPSXBMXCJC-BEFAXECRSA-N 2 0 342.487 3.089 20 0 EGADRP Cc1nccn1CCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271908782 275240522 /nfs/dbraw/zinc/24/05/22/275240522.db2.gz ZZXGWUHWJUMWRJ-LBPRGKRZSA-N 2 0 331.851 3.473 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000279670172 275348434 /nfs/dbraw/zinc/34/84/34/275348434.db2.gz OSAIAACDEPUHLL-UHFFFAOYSA-N 2 0 347.894 3.084 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282099698 275602741 /nfs/dbraw/zinc/60/27/41/275602741.db2.gz ZIAMJFQLCLKMCI-KRWDZBQOSA-N 2 0 349.478 3.365 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)oc1C ZINC000282146186 275606352 /nfs/dbraw/zinc/60/63/52/275606352.db2.gz KVUFXRXOGFVLCM-OAHLLOKOSA-N 2 0 343.471 3.039 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000284216172 275783049 /nfs/dbraw/zinc/78/30/49/275783049.db2.gz SYOJPPQXAPWURD-QGZVFWFLSA-N 2 0 347.503 3.217 20 0 EGADRP COc1ccccc1O[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000286502294 276009021 /nfs/dbraw/zinc/00/90/21/276009021.db2.gz PTXOLKUQPHLGEC-QZTJIDSGSA-N 2 0 332.488 3.413 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352056453 276024823 /nfs/dbraw/zinc/02/48/23/276024823.db2.gz CNYQAMJXHWIGIO-WOJBJXKFSA-N 2 0 345.531 3.134 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000287351009 276110985 /nfs/dbraw/zinc/11/09/85/276110985.db2.gz GULXBPACMPALBV-BIRZXAFVSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000287551177 276132109 /nfs/dbraw/zinc/13/21/09/276132109.db2.gz FRBNQZPSYRHZGJ-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000287733430 276151702 /nfs/dbraw/zinc/15/17/02/276151702.db2.gz PGUVTNXIPBRSIH-BBRMVZONSA-N 2 0 346.874 3.113 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000360050931 276194947 /nfs/dbraw/zinc/19/49/47/276194947.db2.gz CWJXUZNZUYKALD-GDBMZVCRSA-N 2 0 339.574 3.291 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186904 276252141 /nfs/dbraw/zinc/25/21/41/276252141.db2.gz FXZMVWHZXQHYOL-GHTZIAJQSA-N 2 0 329.532 3.348 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000343466313 276262920 /nfs/dbraw/zinc/26/29/20/276262920.db2.gz IZTCFFZMOLPZMY-HXUWFJFHSA-N 2 0 345.531 3.220 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000289082873 276288571 /nfs/dbraw/zinc/28/85/71/276288571.db2.gz BCKHDXFNJSDFMV-GOSISDBHSA-N 2 0 345.487 3.115 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000355412751 276328575 /nfs/dbraw/zinc/32/85/75/276328575.db2.gz SHHJXLZPZODIHL-CALCHBBNSA-N 2 0 347.503 3.219 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000289366864 276328601 /nfs/dbraw/zinc/32/86/01/276328601.db2.gz ORWLGWRECGQTQT-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP COCCOCc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000289520361 276352072 /nfs/dbraw/zinc/35/20/72/276352072.db2.gz BCZSPHNWLWTNIW-IBGZPJMESA-N 2 0 348.531 3.451 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1nccc2ccccc21)N1CC[NH+](C)CC1 ZINC000289554206 276357247 /nfs/dbraw/zinc/35/72/47/276357247.db2.gz CJDDVALNOIDEMX-XLIONFOSSA-N 2 0 340.515 3.157 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3ccsc3C2)CC1 ZINC000353684357 276388512 /nfs/dbraw/zinc/38/85/12/276388512.db2.gz RVJMLPNLXYKZMH-UHFFFAOYSA-N 2 0 341.524 3.448 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000289993340 276431702 /nfs/dbraw/zinc/43/17/02/276431702.db2.gz OWKDVYJXRROIPZ-RBUKOAKNSA-N 2 0 329.488 3.042 20 0 EGADRP c1[nH]c2nccnc2c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000290925987 276561556 /nfs/dbraw/zinc/56/15/56/276561556.db2.gz RDVHZFLHXLUOQP-UHFFFAOYSA-N 2 0 335.455 3.234 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000351615994 277046167 /nfs/dbraw/zinc/04/61/67/277046167.db2.gz PILNHUZMTTYOKD-MSOLQXFVSA-N 2 0 345.535 3.058 20 0 EGADRP C[C@@H](C[NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000348138652 278282946 /nfs/dbraw/zinc/28/29/46/278282946.db2.gz GANOHLYQNRLXAE-HNNXBMFYSA-N 2 0 343.437 3.036 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)c2cccs2)CC1 ZINC000236653750 278550126 /nfs/dbraw/zinc/55/01/26/278550126.db2.gz GEGLEPJRDRWPLY-QFBILLFUSA-N 2 0 349.544 3.027 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000372553166 279136476 /nfs/dbraw/zinc/13/64/76/279136476.db2.gz OGOBCTPDEKYVOU-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000345771324 279137768 /nfs/dbraw/zinc/13/77/68/279137768.db2.gz GGSPBXOAVDRJHI-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000357657507 279138543 /nfs/dbraw/zinc/13/85/43/279138543.db2.gz ZMPDWYGBDHFAGW-KRWDZBQOSA-N 2 0 348.535 3.056 20 0 EGADRP C[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+]1CCCCCC1 ZINC000193407025 279231638 /nfs/dbraw/zinc/23/16/38/279231638.db2.gz QOSGTDBFNDKURH-OXQOHEQNSA-N 2 0 339.483 3.220 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000187159387 280949867 /nfs/dbraw/zinc/94/98/67/280949867.db2.gz XPIPVYQIEBEOBL-NQIIRXRSSA-N 2 0 329.532 3.309 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000349246904 289359729 /nfs/dbraw/zinc/35/97/29/289359729.db2.gz YLAPVXMUHCTHJF-SCTDSRPQSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378178503 298618048 /nfs/dbraw/zinc/61/80/48/298618048.db2.gz UDNIIHBNPREZJP-CBBWQLFWSA-N 2 0 341.952 3.119 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180464549 301805681 /nfs/dbraw/zinc/80/56/81/301805681.db2.gz WTKMIHYLCOHITJ-DENIHFKCSA-N 2 0 337.511 3.310 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000067671620 307367311 /nfs/dbraw/zinc/36/73/11/307367311.db2.gz ICIAHWLNUZOZIU-INIZCTEOSA-N 2 0 345.462 3.201 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000073639877 307387457 /nfs/dbraw/zinc/38/74/57/307387457.db2.gz NZXKIWUTYRVJNE-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000134553597 307689795 /nfs/dbraw/zinc/68/97/95/307689795.db2.gz ZKXDDTWBHXTQEV-LPHOPBHVSA-N 2 0 349.544 3.170 20 0 EGADRP CC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000134553637 307689831 /nfs/dbraw/zinc/68/98/31/307689831.db2.gz ZKXDDTWBHXTQEV-APWZRJJASA-N 2 0 349.544 3.170 20 0 EGADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000414193310 309066065 /nfs/dbraw/zinc/06/60/65/309066065.db2.gz TVEJSMVKTOWETC-XJKSGUPXSA-N 2 0 328.859 3.488 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000154405897 307794075 /nfs/dbraw/zinc/79/40/75/307794075.db2.gz AGAGLKKWKJLICH-HNNXBMFYSA-N 2 0 343.437 3.384 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154418910 307794371 /nfs/dbraw/zinc/79/43/71/307794371.db2.gz BKMLRLYYRUWEQZ-OAQYLSRUSA-N 2 0 331.548 3.261 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000155661412 307818017 /nfs/dbraw/zinc/81/80/17/307818017.db2.gz RROXKRTZYFQIQA-HUUCEWRRSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@H]1CCC[C@H](C)C1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163526941 307922991 /nfs/dbraw/zinc/92/29/91/307922991.db2.gz CNKCRZVYNGXNCV-HOTGVXAUSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336924 309073726 /nfs/dbraw/zinc/07/37/26/309073726.db2.gz ZZKDPSFJHYYOTA-JXFKEZNVSA-N 2 0 343.515 3.052 20 0 EGADRP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248422479 308003164 /nfs/dbraw/zinc/00/31/64/308003164.db2.gz YPSYNBPYBYIEQO-UQVNRYHBSA-N 2 0 328.500 3.038 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248424136 308003170 /nfs/dbraw/zinc/00/31/70/308003170.db2.gz HKHUYFGUXNNGFQ-WMQCIHAUSA-N 2 0 328.500 3.335 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cc(C)ccc2C)[C@@H](C)C1 ZINC000248865299 308013670 /nfs/dbraw/zinc/01/36/70/308013670.db2.gz AUQTYFFWPZAYAV-PMACEKPBSA-N 2 0 348.531 3.409 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000249094039 308018822 /nfs/dbraw/zinc/01/88/22/308018822.db2.gz HRRVFBGHJKYQRH-BAGYTPMASA-N 2 0 343.559 3.261 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249169647 308020606 /nfs/dbraw/zinc/02/06/06/308020606.db2.gz AQAQGRGYBSRPFJ-OXQOHEQNSA-N 2 0 342.458 3.113 20 0 EGADRP CCc1ncc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000414446343 309080731 /nfs/dbraw/zinc/08/07/31/309080731.db2.gz YIRKCXQIGYLKCH-NRFANRHFSA-N 2 0 336.483 3.137 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262664095 308065003 /nfs/dbraw/zinc/06/50/03/308065003.db2.gz IGRUWDITJPYPEF-MSOLQXFVSA-N 2 0 345.531 3.169 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292997962 308088500 /nfs/dbraw/zinc/08/85/00/308088500.db2.gz OPCXNDYAGYLGFK-BEFAXECRSA-N 2 0 326.444 3.215 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2ccc(OC)c(OC)c2Cl)CC1 ZINC000293585917 308144418 /nfs/dbraw/zinc/14/44/18/308144418.db2.gz CIPDEYFHQKVIKG-UHFFFAOYSA-N 2 0 340.895 3.364 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293718348 308155770 /nfs/dbraw/zinc/15/57/70/308155770.db2.gz MIEQSUJAHXSWAI-IBGZPJMESA-N 2 0 330.472 3.388 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000293977287 308179783 /nfs/dbraw/zinc/17/97/83/308179783.db2.gz RHDPVLBPBZFFON-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP CC1(c2ccccc2)CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000294115431 308191510 /nfs/dbraw/zinc/19/15/10/308191510.db2.gz DEZDZEJKWCUUMF-QSRFUDQGSA-N 2 0 342.527 3.464 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000294944379 308274710 /nfs/dbraw/zinc/27/47/10/308274710.db2.gz AALQNILOEYMZDS-UHFFFAOYSA-N 2 0 342.483 3.144 20 0 EGADRP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+](Cc2ccccc2)C1 ZINC000295122713 308294329 /nfs/dbraw/zinc/29/43/29/308294329.db2.gz XOYHLPMYRWHWFH-HYCNCBECSA-N 2 0 327.516 3.112 20 0 EGADRP CCOC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[nH]c1C ZINC000295563126 308338962 /nfs/dbraw/zinc/33/89/62/308338962.db2.gz ZFWTYVIANVLVGP-GOEBONIOSA-N 2 0 347.503 3.242 20 0 EGADRP COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414701222 309096248 /nfs/dbraw/zinc/09/62/48/309096248.db2.gz UKTOLGMJPGFJMO-KBPBESRZSA-N 2 0 328.859 3.316 20 0 EGADRP COc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414675231 309095086 /nfs/dbraw/zinc/09/50/86/309095086.db2.gz FLRTXSSQNCDYRM-QWHCGFSZSA-N 2 0 341.293 3.278 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000414719010 309097353 /nfs/dbraw/zinc/09/73/53/309097353.db2.gz XFGNDRDFNZCPEF-INIZCTEOSA-N 2 0 330.476 3.016 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771656 309099988 /nfs/dbraw/zinc/09/99/88/309099988.db2.gz AFAVZNUCKBBYKV-HOTGVXAUSA-N 2 0 328.435 3.037 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297154071 308504633 /nfs/dbraw/zinc/50/46/33/308504633.db2.gz AZGVCQABLYMSLW-UKRRQHHQSA-N 2 0 325.884 3.059 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744346 309098429 /nfs/dbraw/zinc/09/84/29/309098429.db2.gz PLXMVWAJRXBMCQ-FCEUIQTBSA-N 3 0 341.543 3.363 20 0 EGADRP COc1ccc(Br)c(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414752465 309098779 /nfs/dbraw/zinc/09/87/79/309098779.db2.gz KSZJHGHPOVDGMD-QWHCGFSZSA-N 2 0 341.293 3.278 20 0 EGADRP COc1ccc(Br)c(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414752460 309098786 /nfs/dbraw/zinc/09/87/86/309098786.db2.gz KSZJHGHPOVDGMD-CHWSQXEVSA-N 2 0 341.293 3.278 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)CC[NH2+]1 ZINC000414751037 309098816 /nfs/dbraw/zinc/09/88/16/309098816.db2.gz ZJCKGQSZVAKPMQ-KZNAEPCWSA-N 2 0 338.499 3.133 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cs1 ZINC000297507120 308540730 /nfs/dbraw/zinc/54/07/30/308540730.db2.gz CIOZAYVLAJMXEK-HNNXBMFYSA-N 2 0 345.512 3.199 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000414764011 309099435 /nfs/dbraw/zinc/09/94/35/309099435.db2.gz NRMJVTLAHUXWSL-UHFFFAOYSA-N 2 0 329.307 3.395 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414765838 309099477 /nfs/dbraw/zinc/09/94/77/309099477.db2.gz GMCPDANVXNIXHB-CALCHBBNSA-N 2 0 342.462 3.060 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000414777350 309100213 /nfs/dbraw/zinc/10/02/13/309100213.db2.gz ICTKYHNMWOHINL-ZWKOTPCHSA-N 2 0 330.520 3.289 20 0 EGADRP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778442 309100385 /nfs/dbraw/zinc/10/03/85/309100385.db2.gz IWDLRABZIVSECH-CABCVRRESA-N 2 0 328.485 3.027 20 0 EGADRP Cc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C)c1OCc1ccccn1 ZINC000414781777 309100662 /nfs/dbraw/zinc/10/06/62/309100662.db2.gz CVPRXRLFPALECG-QUCCMNQESA-N 2 0 337.467 3.071 20 0 EGADRP Fc1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783649 309100831 /nfs/dbraw/zinc/10/08/31/309100831.db2.gz QHBADPHBHJEGOF-CHWSQXEVSA-N 2 0 341.268 3.410 20 0 EGADRP CCOc1c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)nn1CC(C)C ZINC000414785392 309101066 /nfs/dbraw/zinc/10/10/66/309101066.db2.gz SOVRJDJCPJNBAE-MSOLQXFVSA-N 2 0 348.535 3.068 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414813934 309103160 /nfs/dbraw/zinc/10/31/60/309103160.db2.gz YVIYRTVRWIAPHB-UKRRQHHQSA-N 2 0 326.868 3.354 20 0 EGADRP c1c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000414827882 309104033 /nfs/dbraw/zinc/10/40/33/309104033.db2.gz KWGIKAFMSWHSPD-QGZVFWFLSA-N 2 0 347.466 3.024 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828464 309104122 /nfs/dbraw/zinc/10/41/22/309104122.db2.gz IXQHZLDMNASTMQ-OLZOCXBDSA-N 2 0 343.393 3.012 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414830917 309104287 /nfs/dbraw/zinc/10/42/87/309104287.db2.gz CPZZFUGGCOJRLM-HNNXBMFYSA-N 2 0 348.441 3.247 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414830679 309104297 /nfs/dbraw/zinc/10/42/97/309104297.db2.gz CGOHBSLKWHKWQM-STQMWFEESA-N 2 0 343.284 3.499 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414830671 309104314 /nfs/dbraw/zinc/10/43/14/309104314.db2.gz CGOHBSLKWHKWQM-CHWSQXEVSA-N 2 0 343.284 3.499 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414838251 309104860 /nfs/dbraw/zinc/10/48/60/309104860.db2.gz LCXMMFLEPWDNQO-INIZCTEOSA-N 2 0 335.923 3.284 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000305877010 308762483 /nfs/dbraw/zinc/76/24/83/308762483.db2.gz FTWBHEXHHVNVEX-NVXWUHKLSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411176256 308929647 /nfs/dbraw/zinc/92/96/47/308929647.db2.gz STWYWYNFWWWNKJ-UHFFFAOYSA-N 3 0 329.532 3.446 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414901319 309108235 /nfs/dbraw/zinc/10/82/35/309108235.db2.gz FVSPKGWSXIRNJD-KBXCAEBGSA-N 2 0 337.895 3.345 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414903392 309108369 /nfs/dbraw/zinc/10/83/69/309108369.db2.gz IJCVJKWTENKIIB-BBRMVZONSA-N 2 0 325.294 3.359 20 0 EGADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914495 309108971 /nfs/dbraw/zinc/10/89/71/309108971.db2.gz XJSXFKQKHZXGFH-UHFFFAOYSA-N 2 0 326.488 3.475 20 0 EGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2)n1 ZINC000414918656 309109330 /nfs/dbraw/zinc/10/93/30/309109330.db2.gz SOBSOIKTQIZURI-CQSZACIVSA-N 2 0 338.377 3.123 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)cc2)cs1 ZINC000414936085 309110212 /nfs/dbraw/zinc/11/02/12/309110212.db2.gz GOIWEOIILBEXMY-UGSOOPFHSA-N 2 0 331.485 3.118 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414969688 309112186 /nfs/dbraw/zinc/11/21/86/309112186.db2.gz JHBSQAVTTKFACJ-CABCVRRESA-N 2 0 337.895 3.487 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414969794 309112201 /nfs/dbraw/zinc/11/22/01/309112201.db2.gz JOFYXVGATBQUKG-LSDHHAIUSA-N 2 0 337.895 3.487 20 0 EGADRP c1ccc(COc2ccccc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)nc1 ZINC000414974480 309112316 /nfs/dbraw/zinc/11/23/16/309112316.db2.gz NNWMYQOPOICOLN-GOSISDBHSA-N 2 0 325.456 3.282 20 0 EGADRP c1ccc(COc2ccccc2C[NH2+]CCC[C@H]2CCC[NH2+]2)nc1 ZINC000414974486 309112318 /nfs/dbraw/zinc/11/23/18/309112318.db2.gz NNWMYQOPOICOLN-SFHVURJKSA-N 2 0 325.456 3.282 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[NH2+]CC1 ZINC000414977105 309112567 /nfs/dbraw/zinc/11/25/67/309112567.db2.gz QLLYJRYUOHJEDT-UHFFFAOYSA-N 2 0 335.250 3.238 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414997878 309113346 /nfs/dbraw/zinc/11/33/46/309113346.db2.gz QENYAXWKDDTREB-WMLDXEAASA-N 2 0 332.879 3.441 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c(F)cccc1Br ZINC000415000748 309113642 /nfs/dbraw/zinc/11/36/42/309113642.db2.gz UBIHRQQDTOWCRM-SWKMLJDHSA-N 2 0 327.241 3.194 20 0 EGADRP c1ccc(COc2cccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)nc1 ZINC000415004397 309113716 /nfs/dbraw/zinc/11/37/16/309113716.db2.gz HUMPJKFDAWWDLX-LEWJYISDSA-N 2 0 337.467 3.138 20 0 EGADRP COc1ccc(Br)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415003416 309113720 /nfs/dbraw/zinc/11/37/20/309113720.db2.gz XCQXBTBWOSPCDM-WCQYABFASA-N 2 0 327.266 3.065 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415005978 309113918 /nfs/dbraw/zinc/11/39/18/309113918.db2.gz ZRHJRLNVNZPIFU-WBVHZDCISA-N 2 0 330.451 3.235 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000415006685 309114003 /nfs/dbraw/zinc/11/40/03/309114003.db2.gz KVSSKYKHRMJRTO-MBPVOVBZSA-N 2 0 327.516 3.017 20 0 EGADRP Fc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009434 309114106 /nfs/dbraw/zinc/11/41/06/309114106.db2.gz OBTFNBPOYKEISL-DZGCQCFKSA-N 2 0 327.241 3.066 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000415011974 309114189 /nfs/dbraw/zinc/11/41/89/309114189.db2.gz WSPHFTYBFPAZRS-RRFJBIMHSA-N 2 0 337.895 3.473 20 0 EGADRP COc1sc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415011544 309114307 /nfs/dbraw/zinc/11/43/07/309114307.db2.gz WCESFUHINIAVMK-UWVGGRQHSA-N 2 0 333.295 3.126 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000415014507 309114463 /nfs/dbraw/zinc/11/44/63/309114463.db2.gz MMIWLQWMTWODNT-NSHDSACASA-N 2 0 342.274 3.181 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415031924 309115516 /nfs/dbraw/zinc/11/55/16/309115516.db2.gz HKIZBUKQUJCJQE-HKUYNNGSSA-N 2 0 340.467 3.491 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415045115 309116169 /nfs/dbraw/zinc/11/61/69/309116169.db2.gz TVJLAVBHLKRWGI-PKOBYXMFSA-N 2 0 340.467 3.491 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1cncc(Br)c1)c1ccccc1 ZINC000415052856 309116700 /nfs/dbraw/zinc/11/67/00/309116700.db2.gz LUWGZTFOLJOIMA-MRXNPFEDSA-N 2 0 334.261 3.414 20 0 EGADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415055396 309116976 /nfs/dbraw/zinc/11/69/76/309116976.db2.gz OSMSOYCDHLZHMD-MJGOQNOKSA-N 2 0 331.504 3.237 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415076133 309118466 /nfs/dbraw/zinc/11/84/66/309118466.db2.gz CLVZBNMSIDTHQL-GUDVDZBRSA-N 2 0 332.488 3.031 20 0 EGADRP COc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1OCC(F)(F)F ZINC000415075708 309118604 /nfs/dbraw/zinc/11/86/04/309118604.db2.gz BYXALURAYZXLQT-UHFFFAOYSA-N 2 0 346.393 3.243 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)ccc1OC1CCCC1 ZINC000415078201 309118712 /nfs/dbraw/zinc/11/87/12/309118712.db2.gz FXSJOMIUBQTBSH-WBVHZDCISA-N 2 0 332.488 3.494 20 0 EGADRP COC(=O)[C@](C)(C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000415093586 309119810 /nfs/dbraw/zinc/11/98/10/309119810.db2.gz CEJBAAQSXGWFJM-IMFGXOCKSA-N 2 0 332.488 3.018 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)C1 ZINC000415117216 309121417 /nfs/dbraw/zinc/12/14/17/309121417.db2.gz BYPOJWUVPQBSBN-DLBZAZTESA-N 2 0 326.843 3.197 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000415130019 309122498 /nfs/dbraw/zinc/12/24/98/309122498.db2.gz WHLXBLZIEGPFMC-QAPCUYQASA-N 2 0 338.879 3.067 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000415132337 309122758 /nfs/dbraw/zinc/12/27/58/309122758.db2.gz KYLLLOGWEOFDCO-GGPKGHCWSA-N 2 0 329.532 3.394 20 0 EGADRP C[C@H]1CC([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@H](C)C1 ZINC000415134508 309123127 /nfs/dbraw/zinc/12/31/27/309123127.db2.gz OQKHMNJDEPPSJV-QZTJIDSGSA-N 2 0 329.532 3.394 20 0 EGADRP CC(C)[C@H]([NH3+])CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415399025 309132729 /nfs/dbraw/zinc/13/27/29/309132729.db2.gz XTVOHYOHTGNOJI-LJQANCHMSA-N 2 0 346.519 3.066 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C[NH2+]C)CC(C)C ZINC000415905787 309147323 /nfs/dbraw/zinc/14/73/23/309147323.db2.gz VOCDFPBUHZMMFE-KRWDZBQOSA-N 2 0 334.508 3.284 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000415911989 309147916 /nfs/dbraw/zinc/14/79/16/309147916.db2.gz FQIXEEYVEDVSBV-QGZVFWFLSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000416893365 309185498 /nfs/dbraw/zinc/18/54/98/309185498.db2.gz XDFQYWPBJXQHFZ-LJQANCHMSA-N 2 0 348.535 3.043 20 0 EGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000416962545 309188150 /nfs/dbraw/zinc/18/81/50/309188150.db2.gz AQMNTAGAEMOQPO-LJQANCHMSA-N 2 0 348.535 3.042 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417308966 309201077 /nfs/dbraw/zinc/20/10/77/309201077.db2.gz INCPAKKQLCKNQS-PFPDTZPXSA-N 2 0 334.529 3.208 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417321391 309201557 /nfs/dbraw/zinc/20/15/57/309201557.db2.gz LMWUDSZEIHONLX-OKZBNKHCSA-N 2 0 335.561 3.247 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000417848348 309224946 /nfs/dbraw/zinc/22/49/46/309224946.db2.gz BINYQAIBVRDAQZ-QAPCUYQASA-N 2 0 348.535 3.085 20 0 EGADRP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000419134979 309260768 /nfs/dbraw/zinc/26/07/68/309260768.db2.gz JZNRIDZXCCFKPZ-SFHVURJKSA-N 2 0 345.531 3.457 20 0 EGADRP CN(C)c1ncc(C[NH2+]C/C=C/c2ccc(Br)cc2)n1C ZINC000419714230 309271346 /nfs/dbraw/zinc/27/13/46/309271346.db2.gz SXDJNWJRIPMIFS-SNAWJCMRSA-N 2 0 349.276 3.052 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc2ccccc2OC)cc1 ZINC000420299845 309280190 /nfs/dbraw/zinc/28/01/90/309280190.db2.gz JOEONXUVJCULCU-QFBILLFUSA-N 2 0 342.483 3.309 20 0 EGADRP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420303036 309280575 /nfs/dbraw/zinc/28/05/75/309280575.db2.gz MYMXVYTWXXGSGP-UDDWMFPDSA-N 2 0 338.495 3.104 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000420304801 309280728 /nfs/dbraw/zinc/28/07/28/309280728.db2.gz JDFZZVRNKXZAAI-UHFFFAOYSA-N 2 0 344.455 3.431 20 0 EGADRP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000420313601 309281361 /nfs/dbraw/zinc/28/13/61/309281361.db2.gz YDIFFWBJKFQRGG-MTFMMBMASA-N 2 0 346.515 3.263 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420311149 309281377 /nfs/dbraw/zinc/28/13/77/309281377.db2.gz NHTSXIIYEQUICI-CYBMUJFWSA-N 2 0 332.469 3.249 20 0 EGADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000420319943 309281685 /nfs/dbraw/zinc/28/16/85/309281685.db2.gz PQMIQLHXZSIOJT-GOPGUHFVSA-N 2 0 343.298 3.273 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000420319572 309281734 /nfs/dbraw/zinc/28/17/34/309281734.db2.gz PHGDXNWVWYVXCM-JKSUJKDBSA-N 2 0 331.485 3.074 20 0 EGADRP CCOc1ccc(C[N@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420319391 309281923 /nfs/dbraw/zinc/28/19/23/309281923.db2.gz PLJFWQHVDNSCQR-GOSISDBHSA-N 2 0 328.456 3.268 20 0 EGADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC1CCN(c2ccccn2)CC1 ZINC000420321663 309282220 /nfs/dbraw/zinc/28/22/20/309282220.db2.gz RKSHIXNIZQRRDZ-GOSISDBHSA-N 2 0 330.520 3.010 20 0 EGADRP CCOc1ccccc1C[N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420325657 309282360 /nfs/dbraw/zinc/28/23/60/309282360.db2.gz WMONPHXIVHUDDE-SFHVURJKSA-N 2 0 328.456 3.268 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420331230 309282529 /nfs/dbraw/zinc/28/25/29/309282529.db2.gz DLPIMDPJDSWHKT-LPHOPBHVSA-N 2 0 329.488 3.094 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000420338032 309282930 /nfs/dbraw/zinc/28/29/30/309282930.db2.gz NOCJKDIYVLAFLZ-HRCADAONSA-N 2 0 349.906 3.215 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420337356 309283102 /nfs/dbraw/zinc/28/31/02/309283102.db2.gz NCLPZLKFIRKUNX-GASCZTMLSA-N 2 0 342.405 3.406 20 0 EGADRP COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCOCC[NH3+])c1 ZINC000420370575 309284726 /nfs/dbraw/zinc/28/47/26/309284726.db2.gz JPRVBXILSXYPTE-RTWAWAEBSA-N 2 0 340.467 3.201 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000420374188 309285078 /nfs/dbraw/zinc/28/50/78/309285078.db2.gz NSBPMTZGEQPWKC-KDOFPFPSSA-N 2 0 341.455 3.047 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374171 309285125 /nfs/dbraw/zinc/28/51/25/309285125.db2.gz NONRJNIAKYWLIN-YADHBBJMSA-N 3 0 341.543 3.363 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420377962 309285358 /nfs/dbraw/zinc/28/53/58/309285358.db2.gz TUXKUQGRCPLEOV-KRWDZBQOSA-N 2 0 342.405 3.468 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420387283 309285691 /nfs/dbraw/zinc/28/56/91/309285691.db2.gz VSIRPTFOXGRHKL-HNAYVOBHSA-N 2 0 327.476 3.258 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420386917 309285775 /nfs/dbraw/zinc/28/57/75/309285775.db2.gz VGCFDUJYDWZHRL-NHCUHLMSSA-N 2 0 346.515 3.291 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)C1 ZINC000420393688 309286090 /nfs/dbraw/zinc/28/60/90/309286090.db2.gz QPPZLEPXBYHDJU-ROUUACIJSA-N 2 0 341.455 3.060 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423261593 309392767 /nfs/dbraw/zinc/39/27/67/309392767.db2.gz SMKGBEPMNXJKFS-MNOVXSKESA-N 2 0 330.245 3.024 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000422714103 309364360 /nfs/dbraw/zinc/36/43/60/309364360.db2.gz QSRGBIMQSMWMAT-RLLQIKCJSA-N 2 0 345.531 3.200 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422713265 309364446 /nfs/dbraw/zinc/36/44/46/309364446.db2.gz PHHTWSRDVWGSHU-CVEARBPZSA-N 2 0 325.456 3.463 20 0 EGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422716677 309364580 /nfs/dbraw/zinc/36/45/80/309364580.db2.gz NQAYOKIARNDRDF-VLIAUNLRSA-N 2 0 328.431 3.316 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCN(C)c1ccccc1F ZINC000422720063 309364891 /nfs/dbraw/zinc/36/48/91/309364891.db2.gz RZBLFSZYNNVYCF-VQIMIIECSA-N 2 0 329.463 3.200 20 0 EGADRP CCc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422727924 309365370 /nfs/dbraw/zinc/36/53/70/309365370.db2.gz DTUXKKXYQNJZKB-YHYVQYDKSA-N 2 0 339.527 3.400 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422732313 309365730 /nfs/dbraw/zinc/36/57/30/309365730.db2.gz POQMJHDVORXSOO-RBOXIYTFSA-N 2 0 328.859 3.099 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)c1 ZINC000422736656 309365824 /nfs/dbraw/zinc/36/58/24/309365824.db2.gz YNFUDCHQOLLWIW-PWRODBHTSA-N 2 0 338.499 3.332 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000422737717 309365994 /nfs/dbraw/zinc/36/59/94/309365994.db2.gz XTJVNWVZDYPHSL-VNTMZGSJSA-N 2 0 333.495 3.329 20 0 EGADRP CCOc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422746027 309366337 /nfs/dbraw/zinc/36/63/37/309366337.db2.gz YVCBUILATWUPRQ-WIYYLYMNSA-N 2 0 338.451 3.431 20 0 EGADRP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422744556 309366362 /nfs/dbraw/zinc/36/63/62/309366362.db2.gz WGVVZZQLYURIBC-CEXWTWQISA-N 2 0 332.488 3.112 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)N2CCCCC2)cc1 ZINC000422760902 309366951 /nfs/dbraw/zinc/36/69/51/309366951.db2.gz MHBHMYMXCNEZRQ-UIFIKXQLSA-N 2 0 345.531 3.200 20 0 EGADRP C[C@@H]([NH2+]C1(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422765922 309367148 /nfs/dbraw/zinc/36/71/48/309367148.db2.gz PVGUMCCIJYNOQZ-WSTZPKSXSA-N 2 0 345.531 3.007 20 0 EGADRP COc1ccccc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422765661 309367228 /nfs/dbraw/zinc/36/72/28/309367228.db2.gz QOMLOXZJIDNPFK-GHTZIAJQSA-N 2 0 338.451 3.083 20 0 EGADRP [NH3+]CC1CCC([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000422767795 309367398 /nfs/dbraw/zinc/36/73/98/309367398.db2.gz SGOWJDHKIBJBEP-UHFFFAOYSA-N 2 0 336.907 3.495 20 0 EGADRP C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCCC1)C1C[NH2+]C1 ZINC000422772313 309367576 /nfs/dbraw/zinc/36/75/76/309367576.db2.gz WWBNPJLFFVZDHM-ZDUSSCGKSA-N 2 0 337.305 3.458 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422782624 309368043 /nfs/dbraw/zinc/36/80/43/309368043.db2.gz JWEBMVXILXYXOS-WMZOPIPTSA-N 2 0 332.488 3.295 20 0 EGADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422788983 309368266 /nfs/dbraw/zinc/36/82/66/309368266.db2.gz WIWVMMJJQNZBHF-WCRBZPEASA-N 3 0 327.516 3.435 20 0 EGADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422786683 309368311 /nfs/dbraw/zinc/36/83/11/309368311.db2.gz LGFFSFYWPBMKAA-RYRKJORJSA-N 2 0 328.456 3.011 20 0 EGADRP c1ccc(OCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422787049 309368332 /nfs/dbraw/zinc/36/83/32/309368332.db2.gz LPKUWICBIWZBBV-PZJWPPBQSA-N 2 0 338.451 3.301 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422788255 309368351 /nfs/dbraw/zinc/36/83/51/309368351.db2.gz QWDXJINGQZZVNW-KXBFYZLASA-N 2 0 335.923 3.282 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Oc1ccc(Br)cc1 ZINC000422796508 309368947 /nfs/dbraw/zinc/36/89/47/309368947.db2.gz JTPPJNHSLVTFHA-WOSRLPQWSA-N 2 0 341.293 3.194 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000422798234 309369031 /nfs/dbraw/zinc/36/90/31/309369031.db2.gz QFHCEMCJNJBIDJ-STQMWFEESA-N 2 0 329.282 3.324 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000422798481 309369042 /nfs/dbraw/zinc/36/90/42/309369042.db2.gz RIISONFTAAIJRB-LSTHTHJFSA-N 2 0 333.520 3.056 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422818470 309370120 /nfs/dbraw/zinc/37/01/20/309370120.db2.gz GHUWXUKBJFIDHQ-PJODQICGSA-N 2 0 331.287 3.268 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422827875 309370483 /nfs/dbraw/zinc/37/04/83/309370483.db2.gz ABVNALXRQSZYOG-JKSUJKDBSA-N 2 0 335.455 3.150 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422827873 309370523 /nfs/dbraw/zinc/37/05/23/309370523.db2.gz ABVNALXRQSZYOG-HOTGVXAUSA-N 2 0 335.455 3.150 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422828884 309370630 /nfs/dbraw/zinc/37/06/30/309370630.db2.gz UCZADZNJKKYJTO-UTKZUKDTSA-N 2 0 329.532 3.332 20 0 EGADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422840719 309371429 /nfs/dbraw/zinc/37/14/29/309371429.db2.gz UNILTDFTCTUPNO-VAMGGRTRSA-N 2 0 330.516 3.273 20 0 EGADRP C[C@H](O)C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000422873557 309373253 /nfs/dbraw/zinc/37/32/53/309373253.db2.gz LOJKNNMIRHPKPS-ZCLUNYJNSA-N 2 0 326.484 3.089 20 0 EGADRP C[C@H]1CCNC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878566 309373365 /nfs/dbraw/zinc/37/33/65/309373365.db2.gz KHFVMAPPCCRYCM-KXBFYZLASA-N 2 0 335.923 3.140 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422878560 309373449 /nfs/dbraw/zinc/37/34/49/309373449.db2.gz KGXPSIHXQFLTOI-HNNXBMFYSA-N 2 0 339.487 3.085 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000422881490 309373829 /nfs/dbraw/zinc/37/38/29/309373829.db2.gz YRDWNPJNPRGGRL-BHIYHBOVSA-N 2 0 332.488 3.031 20 0 EGADRP COCCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422886441 309374207 /nfs/dbraw/zinc/37/42/07/309374207.db2.gz IZUUUCQSCFHGOI-PXNSSMCTSA-N 2 0 330.472 3.039 20 0 EGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000422900091 309375058 /nfs/dbraw/zinc/37/50/58/309375058.db2.gz PUUFSDVXWRZQFS-LJQANCHMSA-N 2 0 345.531 3.121 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422901650 309375185 /nfs/dbraw/zinc/37/51/85/309375185.db2.gz LJRPDDGAYUYMBY-NZSAHSFTSA-N 2 0 342.462 3.330 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422905494 309375525 /nfs/dbraw/zinc/37/55/25/309375525.db2.gz ZDVDVOKBOMFOSV-FDFHNCONSA-N 2 0 341.543 3.470 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000422908313 309375577 /nfs/dbraw/zinc/37/55/77/309375577.db2.gz DDRBZZIMNTXMMF-KRWDZBQOSA-N 2 0 346.515 3.166 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422912097 309375775 /nfs/dbraw/zinc/37/57/75/309375775.db2.gz VJQQWSSCQAPZKS-BPUTZDHNSA-N 2 0 337.895 3.034 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422924986 309376371 /nfs/dbraw/zinc/37/63/71/309376371.db2.gz ZOSITAFHUBPTBQ-HUBLWGQQSA-N 2 0 328.859 3.099 20 0 EGADRP Cc1cccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422926142 309376500 /nfs/dbraw/zinc/37/65/00/309376500.db2.gz COASRHFUPMNTSP-CTNGQTDRSA-N 2 0 338.451 3.219 20 0 EGADRP c1cc2c(cc1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)OCCO2 ZINC000422930406 309376598 /nfs/dbraw/zinc/37/65/98/309376598.db2.gz UFUUSIMJROMRFW-GBESFXJTSA-N 2 0 344.499 3.291 20 0 EGADRP COc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422936135 309377044 /nfs/dbraw/zinc/37/70/44/309377044.db2.gz IBPGZQXVHDYCIJ-FXAWDEMLSA-N 2 0 342.414 3.180 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422958716 309378286 /nfs/dbraw/zinc/37/82/86/309378286.db2.gz YUYHHPBVTXKADJ-HOCLYGCPSA-N 2 0 330.501 3.115 20 0 EGADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422961278 309378540 /nfs/dbraw/zinc/37/85/40/309378540.db2.gz BIINIFDXHHQHAL-XFQXTVEOSA-N 2 0 326.440 3.446 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422975524 309379050 /nfs/dbraw/zinc/37/90/50/309379050.db2.gz SUSUJDRBCNISGV-AWEZNQCLSA-N 2 0 340.471 3.416 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422975525 309379097 /nfs/dbraw/zinc/37/90/97/309379097.db2.gz SUSUJDRBCNISGV-CQSZACIVSA-N 2 0 340.471 3.416 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423002244 309380263 /nfs/dbraw/zinc/38/02/63/309380263.db2.gz JEYKRPNFUYSFQG-QCFAMHMHSA-N 3 0 329.532 3.265 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000423013141 309380903 /nfs/dbraw/zinc/38/09/03/309380903.db2.gz MEGJXKOAYHCDAT-PWRODBHTSA-N 2 0 338.499 3.488 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423013432 309381009 /nfs/dbraw/zinc/38/10/09/309381009.db2.gz MSHPYYWTJDRDQZ-OTWHNJEPSA-N 2 0 332.488 3.147 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c2ccccc21 ZINC000423015281 309381063 /nfs/dbraw/zinc/38/10/63/309381063.db2.gz QQTFLDYHNMLWTK-IEZWGBDMSA-N 2 0 329.488 3.385 20 0 EGADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423017226 309381250 /nfs/dbraw/zinc/38/12/50/309381250.db2.gz VZGSBUZYQCLADE-PEVDHWGLSA-N 2 0 341.503 3.062 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423051457 309383261 /nfs/dbraw/zinc/38/32/61/309383261.db2.gz NIYOTRBQMHRLLZ-ZDUSSCGKSA-N 2 0 340.446 3.373 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423061283 309383818 /nfs/dbraw/zinc/38/38/18/309383818.db2.gz QLQWNGUPTDTIMJ-APHBMKBZSA-N 2 0 342.405 3.079 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423064152 309384016 /nfs/dbraw/zinc/38/40/16/309384016.db2.gz QQKCWSYZNXIHKE-IIAWOOMASA-N 2 0 341.421 3.262 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423068013 309384117 /nfs/dbraw/zinc/38/41/17/309384117.db2.gz JETTYHLURKCKRJ-XSDIEEQYSA-N 2 0 330.516 3.248 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423072609 309384469 /nfs/dbraw/zinc/38/44/69/309384469.db2.gz PUZGHRSNOXAFGM-XUVXKRRUSA-N 2 0 332.488 3.031 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423075638 309384715 /nfs/dbraw/zinc/38/47/15/309384715.db2.gz PAKJMVKVCBZNRP-IJXRJRJASA-N 2 0 334.479 3.007 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423080216 309384897 /nfs/dbraw/zinc/38/48/97/309384897.db2.gz SFUQOBGCNIEDKH-GRDNDAEWSA-N 2 0 338.442 3.119 20 0 EGADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423098870 309386001 /nfs/dbraw/zinc/38/60/01/309386001.db2.gz SSTMLZOCVICWPY-XFUTXVRSSA-N 2 0 334.891 3.333 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423110557 309386437 /nfs/dbraw/zinc/38/64/37/309386437.db2.gz VBBKVHXLEWLQAT-UFYCRDLUSA-N 2 0 325.456 3.032 20 0 EGADRP CC(C)Oc1ccc([C@@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423121817 309387050 /nfs/dbraw/zinc/38/70/50/309387050.db2.gz JCGLVUHCRNCTKJ-LSTHTHJFSA-N 2 0 333.520 3.197 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423125134 309387334 /nfs/dbraw/zinc/38/73/34/309387334.db2.gz NASZPMDNFQSFEG-HOJAQTOUSA-N 2 0 333.520 3.184 20 0 EGADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423131564 309387372 /nfs/dbraw/zinc/38/73/72/309387372.db2.gz OGYNCJCRXKHHPW-MISYRCLQSA-N 2 0 330.516 3.328 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CCCC2)c(C)c1 ZINC000423128444 309387437 /nfs/dbraw/zinc/38/74/37/309387437.db2.gz CYBRZNZZSJNXKF-NLWGTHIKSA-N 2 0 330.516 3.457 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCCC(F)(F)C2)CC[NH2+]CC1 ZINC000423139206 309388058 /nfs/dbraw/zinc/38/80/58/309388058.db2.gz ZHSLUDZKXOTGJQ-CABCVRRESA-N 2 0 346.462 3.113 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423143738 309388156 /nfs/dbraw/zinc/38/81/56/309388156.db2.gz XSGIFIVSXRCRAG-PWRODBHTSA-N 2 0 346.515 3.250 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423144414 309388166 /nfs/dbraw/zinc/38/81/66/309388166.db2.gz YWLKJHKBDULQLA-GDBMZVCRSA-N 2 0 342.462 3.165 20 0 EGADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423169499 309389074 /nfs/dbraw/zinc/38/90/74/309389074.db2.gz WCEMXLYPCAWDEM-STQMWFEESA-N 2 0 331.435 3.278 20 0 EGADRP Clc1cccc(CC2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000423172228 309389116 /nfs/dbraw/zinc/38/91/16/309389116.db2.gz RVTGYUUORBGTFO-GBESFXJTSA-N 2 0 348.918 3.409 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCC2)c2ccccc21 ZINC000423177213 309389315 /nfs/dbraw/zinc/38/93/15/309389315.db2.gz IJWPNVFCQCIRLS-ROUUACIJSA-N 2 0 330.472 3.419 20 0 EGADRP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177817 309389362 /nfs/dbraw/zinc/38/93/62/309389362.db2.gz JPNYXAAQSCTCNI-QGZVFWFLSA-N 2 0 329.513 3.164 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193566 309389914 /nfs/dbraw/zinc/38/99/14/309389914.db2.gz WYZUOYZXAIXPEW-CEWLAPEOSA-N 3 0 327.516 3.019 20 0 EGADRP Clc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C2CC2)cc1Cl ZINC000423192047 309389987 /nfs/dbraw/zinc/38/99/87/309389987.db2.gz VFATZEKNAFEQIR-KRWDZBQOSA-N 2 0 342.314 3.329 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423205689 309390313 /nfs/dbraw/zinc/39/03/13/309390313.db2.gz FNEXZJIVFHVPOG-WFASDCNBSA-N 2 0 339.277 3.252 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000423212680 309390705 /nfs/dbraw/zinc/39/07/05/309390705.db2.gz JAPGGGITUYRWOX-RPFQZYLTSA-N 2 0 327.241 3.435 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249325 309392164 /nfs/dbraw/zinc/39/21/64/309392164.db2.gz OQMLNCYDLVBSHH-SWLSCSKDSA-N 2 0 339.277 3.252 20 0 EGADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423252869 309392308 /nfs/dbraw/zinc/39/23/08/309392308.db2.gz UYMVLTKXHKSIFE-SWLSCSKDSA-N 2 0 339.277 3.252 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423256411 309392467 /nfs/dbraw/zinc/39/24/67/309392467.db2.gz BWURDCZJGAEOMF-PELRDEGISA-N 3 0 329.532 3.409 20 0 EGADRP CC(C)([NH3+])C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423287435 309394052 /nfs/dbraw/zinc/39/40/52/309394052.db2.gz MHNSVXXBFHSGES-HNNXBMFYSA-N 2 0 341.293 3.244 20 0 EGADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423300612 309394521 /nfs/dbraw/zinc/39/45/21/309394521.db2.gz SAUXCFGSCDGXDK-XRXFAXGQSA-N 2 0 329.532 3.394 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423321369 309395179 /nfs/dbraw/zinc/39/51/79/309395179.db2.gz HLBRSWYYJCWWJS-INIZCTEOSA-N 2 0 339.483 3.478 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423327709 309395277 /nfs/dbraw/zinc/39/52/77/309395277.db2.gz LRXORFHTQHCXDT-AUUYWEPGSA-N 2 0 330.476 3.011 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423336397 309395670 /nfs/dbraw/zinc/39/56/70/309395670.db2.gz SNKGMOMAELLCPZ-MRXNPFEDSA-N 2 0 331.504 3.290 20 0 EGADRP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]CC1 ZINC000423336506 309395920 /nfs/dbraw/zinc/39/59/20/309395920.db2.gz SWRGTIWPMPCEPJ-QHAWAJNXSA-N 3 0 341.543 3.266 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCCC[C@H]3[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423351065 309396687 /nfs/dbraw/zinc/39/66/87/309396687.db2.gz HKAHRHBTSIJWEK-BHIFYINESA-N 3 0 339.527 3.187 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356448 309396761 /nfs/dbraw/zinc/39/67/61/309396761.db2.gz JRXTZNFAJNBKGM-SMDDNHRTSA-N 2 0 329.257 3.251 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423357574 309396836 /nfs/dbraw/zinc/39/68/36/309396836.db2.gz MHXUCLXAXYYGJD-YZGWKJHDSA-N 2 0 349.563 3.397 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423356861 309396879 /nfs/dbraw/zinc/39/68/79/309396879.db2.gz HJBFOFYWTLIPFW-NVXWUHKLSA-N 2 0 332.492 3.353 20 0 EGADRP CC(C)(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423373228 309397503 /nfs/dbraw/zinc/39/75/03/309397503.db2.gz RSZORMFPSGMUKL-LJQANCHMSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423388209 309398112 /nfs/dbraw/zinc/39/81/12/309398112.db2.gz IHRLGRQNPMFGRB-MBMVPVEPSA-N 3 0 341.543 3.265 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000423385313 309398213 /nfs/dbraw/zinc/39/82/13/309398213.db2.gz IMJIYSJLBRBHKN-LLVKDONJSA-N 2 0 347.322 3.177 20 0 EGADRP COCC1(C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC[NH2+]CC1 ZINC000423412520 309399124 /nfs/dbraw/zinc/39/91/24/309399124.db2.gz WZUUNAVKLNAQRF-GOSISDBHSA-N 2 0 332.488 3.023 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423416703 309399434 /nfs/dbraw/zinc/39/94/34/309399434.db2.gz DETODHZSQHOLAH-VNYTWHDVSA-N 3 0 329.532 3.252 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423424214 309399800 /nfs/dbraw/zinc/39/98/00/309399800.db2.gz FMLAEVUYGFVXPD-OJAHFUOMSA-N 2 0 348.918 3.408 20 0 EGADRP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423427070 309399840 /nfs/dbraw/zinc/39/98/40/309399840.db2.gz FQKSXZQNHPTMIJ-MBPVOVBZSA-N 2 0 327.516 3.017 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423489113 309402425 /nfs/dbraw/zinc/40/24/25/309402425.db2.gz WAYFOBVFFNQPHD-LZQZEXGQSA-N 2 0 330.472 3.290 20 0 EGADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000423504705 309403469 /nfs/dbraw/zinc/40/34/69/309403469.db2.gz NUNUIOKTAQOJDL-JXFKEZNVSA-N 2 0 335.455 3.398 20 0 EGADRP COC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423537100 309405480 /nfs/dbraw/zinc/40/54/80/309405480.db2.gz JBTLDNYIRPBXCZ-MRXNPFEDSA-N 2 0 328.378 3.292 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423744343 309411329 /nfs/dbraw/zinc/41/13/29/309411329.db2.gz NWAGAFPABSTFDV-QUCCMNQESA-N 2 0 331.504 3.004 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423783115 309412509 /nfs/dbraw/zinc/41/25/09/309412509.db2.gz ZYHDKYABGYUDDT-HOTGVXAUSA-N 2 0 339.911 3.083 20 0 EGADRP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423804063 309413644 /nfs/dbraw/zinc/41/36/44/309413644.db2.gz XJHONDPMIVMWCQ-AQNXPRMDSA-N 2 0 347.547 3.022 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC([NH2+]CC2CC2)CC1)CC1CCCCC1 ZINC000424077037 309428464 /nfs/dbraw/zinc/42/84/64/309428464.db2.gz NBCYFHAIGDNGRQ-SFHVURJKSA-N 2 0 335.536 3.055 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000424269954 309435449 /nfs/dbraw/zinc/43/54/49/309435449.db2.gz AQKVQDBBZGVROG-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430611343 309612887 /nfs/dbraw/zinc/61/28/87/309612887.db2.gz NTMAQIGUFJIZSD-MRXNPFEDSA-N 2 0 337.467 3.351 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430948032 309621840 /nfs/dbraw/zinc/62/18/40/309621840.db2.gz DEVLBRSHOWTGKH-INIZCTEOSA-N 2 0 337.467 3.351 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000437111167 309786858 /nfs/dbraw/zinc/78/68/58/309786858.db2.gz YXZWYFCJINIXTK-YYWHXJBOSA-N 2 0 330.516 3.223 20 0 EGADRP COC(=O)CC1(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000440529831 309851132 /nfs/dbraw/zinc/85/11/32/309851132.db2.gz IHXQBPHDYSMTKA-IRXDYDNUSA-N 2 0 344.499 3.076 20 0 EGADRP CC(C)(C)CCNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443597497 309904343 /nfs/dbraw/zinc/90/43/43/309904343.db2.gz ZZVRIKQMVGXVPH-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCOC(=O)c1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]c1C ZINC000449032989 310031365 /nfs/dbraw/zinc/03/13/65/310031365.db2.gz YKKZLNUMOUHXQC-UHFFFAOYSA-N 2 0 335.492 3.054 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)O[C@@H]3C)CC2)c1 ZINC000449072699 310034683 /nfs/dbraw/zinc/03/46/83/310034683.db2.gz KWCMHXKQZBTNER-SFHLNBCPSA-N 2 0 345.531 3.053 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449079231 310035298 /nfs/dbraw/zinc/03/52/98/310035298.db2.gz NWWDSGMXOUSLJR-SFHVURJKSA-N 2 0 343.515 3.371 20 0 EGADRP COc1cc(F)cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000449109573 310037870 /nfs/dbraw/zinc/03/78/70/310037870.db2.gz ZMPWDVVBKCGORM-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449222987 310045742 /nfs/dbraw/zinc/04/57/42/310045742.db2.gz NIJGSDZOOGSKEY-OCCSQVGLSA-N 2 0 330.394 3.038 20 0 EGADRP CSC1(C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC[NH+](C)CC1 ZINC000449335290 310054393 /nfs/dbraw/zinc/05/43/93/310054393.db2.gz KSZKEMRDURLFPL-ZDUSSCGKSA-N 2 0 328.472 3.485 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](O)Cc3cccc(F)c3)CC2)C1 ZINC000449359787 310056503 /nfs/dbraw/zinc/05/65/03/310056503.db2.gz IBBZARQHGNJDKQ-MAODMQOUSA-N 2 0 348.506 3.362 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](O)Cc3cccc(F)c3)CC2)C1 ZINC000449359784 310056517 /nfs/dbraw/zinc/05/65/17/310056517.db2.gz IBBZARQHGNJDKQ-CZAAIQMYSA-N 2 0 348.506 3.362 20 0 EGADRP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449409461 310059544 /nfs/dbraw/zinc/05/95/44/310059544.db2.gz UASMZDJDADBOCU-SLFFLAALSA-N 2 0 330.516 3.285 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449747176 310084021 /nfs/dbraw/zinc/08/40/21/310084021.db2.gz VRCMHKRMIYPAKB-HNNXBMFYSA-N 2 0 339.474 3.074 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC3CC(F)(F)C3)CC2)CC1 ZINC000450476038 310124900 /nfs/dbraw/zinc/12/49/00/310124900.db2.gz MNZPNTPCLSNNHZ-UHFFFAOYSA-N 2 0 343.506 3.160 20 0 EGADRP c1cn(CCc2ccccc2)nc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000450500505 310126590 /nfs/dbraw/zinc/12/65/90/310126590.db2.gz NKQWZSKYOVFZNU-OAQYLSRUSA-N 2 0 348.450 3.174 20 0 EGADRP C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000453105622 310258097 /nfs/dbraw/zinc/25/80/97/310258097.db2.gz XKGZRURXNHKQJZ-KXBFYZLASA-N 2 0 335.923 3.407 20 0 EGADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000453105289 310258233 /nfs/dbraw/zinc/25/82/33/310258233.db2.gz WMQNXJKWWYXAHJ-FQEVSTJZSA-N 2 0 327.472 3.305 20 0 EGADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453117430 310259000 /nfs/dbraw/zinc/25/90/00/310259000.db2.gz KQPHDBMCFTZQBC-DOIPELPJSA-N 2 0 330.516 3.426 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453132143 310260010 /nfs/dbraw/zinc/26/00/10/310260010.db2.gz XNUCPRXCFOLMPP-BQJUDKOJSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOC1 ZINC000453134343 310260070 /nfs/dbraw/zinc/26/00/70/310260070.db2.gz ZMYCFXAYRNAUAY-DOIPELPJSA-N 2 0 328.500 3.446 20 0 EGADRP CO[C@@H]1COCC[C@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453334957 310271706 /nfs/dbraw/zinc/27/17/06/310271706.db2.gz XPQZPXUWBYOPQK-GKYDQMIMSA-N 2 0 346.515 3.071 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453428343 310276717 /nfs/dbraw/zinc/27/67/17/310276717.db2.gz PUEHKZGAURGOPB-IAGOWNOFSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000455856644 310379745 /nfs/dbraw/zinc/37/97/45/310379745.db2.gz NXSQOSVUDYSNJI-LIRRHRJNSA-N 2 0 342.487 3.007 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455872780 310380524 /nfs/dbraw/zinc/38/05/24/310380524.db2.gz ZDLYBKMQGUOOKU-KDOFPFPSSA-N 2 0 332.492 3.086 20 0 EGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455912348 310382035 /nfs/dbraw/zinc/38/20/35/310382035.db2.gz JEWIJWGOOBZKMB-RTBURBONSA-N 2 0 344.503 3.039 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)ccc21 ZINC000456255635 310395171 /nfs/dbraw/zinc/39/51/71/310395171.db2.gz CMBMMDYXQQRJPA-OALUTQOASA-N 2 0 327.472 3.048 20 0 EGADRP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000458194282 310490833 /nfs/dbraw/zinc/49/08/33/310490833.db2.gz JYRLUPYXMQCORL-ULQDDVLXSA-N 2 0 347.503 3.135 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462799079 310605915 /nfs/dbraw/zinc/60/59/15/310605915.db2.gz QNBCXAAQHJOAFI-UHFFFAOYSA-N 2 0 329.532 3.460 20 0 EGADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000468559592 310690684 /nfs/dbraw/zinc/69/06/84/310690684.db2.gz JGMGRZUACVJYMB-WOJBJXKFSA-N 2 0 330.516 3.456 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477921957 310851833 /nfs/dbraw/zinc/85/18/33/310851833.db2.gz XTKSHPOYBZKVCN-INIZCTEOSA-N 2 0 332.488 3.448 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480161950 310890460 /nfs/dbraw/zinc/89/04/60/310890460.db2.gz KLSWWWUFWRYAIL-IBGZPJMESA-N 3 0 347.547 3.400 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nn1C ZINC000487410760 311022555 /nfs/dbraw/zinc/02/25/55/311022555.db2.gz GZRZPEUAKZXAEC-UHFFFAOYSA-N 2 0 326.488 3.073 20 0 EGADRP CC1CC[NH+](CCN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000489886361 311123790 /nfs/dbraw/zinc/12/37/90/311123790.db2.gz MILUIJUACAVZBJ-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000491142315 311165857 /nfs/dbraw/zinc/16/58/57/311165857.db2.gz WRTPFMQFADYCJN-GHTZIAJQSA-N 2 0 343.559 3.142 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495820663 311616640 /nfs/dbraw/zinc/61/66/40/311616640.db2.gz YRJKHILTLUNBIT-GTPINHCMSA-N 2 0 339.524 3.096 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000496126574 311665621 /nfs/dbraw/zinc/66/56/21/311665621.db2.gz DNIZVHKOUAYECX-FUHWJXTLSA-N 2 0 333.520 3.399 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000504424793 312006262 /nfs/dbraw/zinc/00/62/62/312006262.db2.gz SWOWQGKDAHLYEE-GHTZIAJQSA-N 2 0 343.559 3.142 20 0 EGADRP C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506474292 312049842 /nfs/dbraw/zinc/04/98/42/312049842.db2.gz MFNWMHHLHGEZOF-WTGUMLROSA-N 2 0 349.563 3.268 20 0 EGADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507521207 312075915 /nfs/dbraw/zinc/07/59/15/312075915.db2.gz WHHKEZIOXYTMDB-FDKIHUSFSA-N 2 0 328.500 3.302 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000509445014 312117430 /nfs/dbraw/zinc/11/74/30/312117430.db2.gz ALOUPYFFXHVJMM-IBGZPJMESA-N 2 0 340.467 3.110 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000513514077 312211954 /nfs/dbraw/zinc/21/19/54/312211954.db2.gz VXSZILKGGHJJGJ-JYAXBFRTSA-N 2 0 329.532 3.217 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000515008512 312260192 /nfs/dbraw/zinc/26/01/92/312260192.db2.gz FOMVPEGQPHHEJK-CALCHBBNSA-N 2 0 349.485 3.455 20 0 EGADRP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000516548882 312328974 /nfs/dbraw/zinc/32/89/74/312328974.db2.gz LKRLPUGFZDOLED-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP Fc1ccc(OCC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000517284605 312373718 /nfs/dbraw/zinc/37/37/18/312373718.db2.gz SHDOPLKHFRUFRU-UHFFFAOYSA-N 2 0 326.843 3.322 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527844505 312956459 /nfs/dbraw/zinc/95/64/59/312956459.db2.gz AWBPLKPGDBBFPV-SFHVURJKSA-N 2 0 339.886 3.084 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)cc1 ZINC000529538071 313349228 /nfs/dbraw/zinc/34/92/28/313349228.db2.gz JYMCSSMUFKEHTO-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP COc1ccc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)cn1 ZINC000529688789 313387497 /nfs/dbraw/zinc/38/74/97/313387497.db2.gz LBRVCWQBKKAOES-HXUWFJFHSA-N 2 0 338.455 3.195 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169728 454167335 /nfs/dbraw/zinc/16/73/35/454167335.db2.gz UNDLLOMOHCLVDU-GFCCVEGCSA-N 2 0 327.266 3.019 20 0 EGADRP CC[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000536709317 314140638 /nfs/dbraw/zinc/14/06/38/314140638.db2.gz AQIXAZJUJQMGMM-TZIWHRDSSA-N 2 0 329.532 3.281 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000536737621 314142804 /nfs/dbraw/zinc/14/28/04/314142804.db2.gz OKTAFSMYXLNHDY-UHFFFAOYSA-N 2 0 343.515 3.459 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2)[C@H](C)C1 ZINC000536874269 314151348 /nfs/dbraw/zinc/15/13/48/314151348.db2.gz CPNOXOPXBPOLSY-HBFSDRIKSA-N 2 0 334.504 3.181 20 0 EGADRP CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540175898 314367884 /nfs/dbraw/zinc/36/78/84/314367884.db2.gz KNTQUMMOLJSCHM-AZUAARDMSA-N 2 0 345.531 3.427 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000543598034 314639515 /nfs/dbraw/zinc/63/95/15/314639515.db2.gz PCHRPTKLXUWNOL-AWEZNQCLSA-N 2 0 343.309 3.458 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000548717434 315038767 /nfs/dbraw/zinc/03/87/67/315038767.db2.gz SJNCBJZWEIDUFD-IBGZPJMESA-N 2 0 335.536 3.118 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(O)CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552357501 315215747 /nfs/dbraw/zinc/21/57/47/315215747.db2.gz CMYIQECCVVZFDQ-CUWPLCDZSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)c1[nH+]c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccn21 ZINC000564217227 316125335 /nfs/dbraw/zinc/12/53/35/316125335.db2.gz DMNLQWCLCIQMII-FUHWJXTLSA-N 2 0 326.488 3.374 20 0 EGADRP CCOc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1OC(F)F ZINC000564328954 316137981 /nfs/dbraw/zinc/13/79/81/316137981.db2.gz NHTGPIQVBUGHCX-UHFFFAOYSA-N 2 0 336.382 3.435 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000564822850 316212622 /nfs/dbraw/zinc/21/26/22/316212622.db2.gz RRZSCRJDDCPPHN-FDFHNCONSA-N 2 0 341.543 3.266 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226296 316294441 /nfs/dbraw/zinc/29/44/41/316294441.db2.gz JEURKYDMRYMZFD-KGYLQXTDSA-N 2 0 329.257 3.379 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000565444519 316325260 /nfs/dbraw/zinc/32/52/60/316325260.db2.gz QUBPGMAQQXBSAX-VXGBXAGGSA-N 2 0 331.273 3.449 20 0 EGADRP C[C@@](O)(C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C(F)(F)F ZINC000567377840 316608507 /nfs/dbraw/zinc/60/85/07/316608507.db2.gz DZPYQNDITLHEIV-QGZVFWFLSA-N 2 0 344.421 3.466 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000567647692 316649102 /nfs/dbraw/zinc/64/91/02/316649102.db2.gz LBJPYAMBKSTTFB-ZYSHUDEJSA-N 2 0 337.467 3.136 20 0 EGADRP CCOc1c(Br)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000570450712 317057782 /nfs/dbraw/zinc/05/77/82/317057782.db2.gz RKRVIQTZVLQVRQ-MNOVXSKESA-N 2 0 345.281 3.072 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000570678696 317092880 /nfs/dbraw/zinc/09/28/80/317092880.db2.gz FHVMHHVQUVOZNJ-GBESFXJTSA-N 2 0 335.536 3.009 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000571536876 317213816 /nfs/dbraw/zinc/21/38/16/317213816.db2.gz ULXBLESPVWHFHZ-HXUWFJFHSA-N 2 0 335.451 3.024 20 0 EGADRP CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000571711181 317236047 /nfs/dbraw/zinc/23/60/47/317236047.db2.gz ZPZDYSAUQAPTEW-GHTZIAJQSA-N 2 0 346.515 3.454 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000572009955 317278830 /nfs/dbraw/zinc/27/88/30/317278830.db2.gz FHZLVVZPZSQBCV-BEFAXECRSA-N 2 0 325.456 3.174 20 0 EGADRP CN1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000572666670 317372376 /nfs/dbraw/zinc/37/23/76/317372376.db2.gz UNZDNMLLDRBORC-UYAOXDASSA-N 2 0 334.467 3.302 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+]1CC(C)C1 ZINC000574289734 317582413 /nfs/dbraw/zinc/58/24/13/317582413.db2.gz IXINPCGNMHANKA-SFHVURJKSA-N 2 0 343.515 3.019 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000574424341 317597360 /nfs/dbraw/zinc/59/73/60/317597360.db2.gz RJHOPROSEGORGX-AZUAARDMSA-N 2 0 343.446 3.092 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000382830310 324253566 /nfs/dbraw/zinc/25/35/66/324253566.db2.gz HTEJUEFSOUIAGU-NXHRZFHOSA-N 2 0 347.503 3.182 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000382829130 324253907 /nfs/dbraw/zinc/25/39/07/324253907.db2.gz GYIVQRVSQGCKEW-MAUKXSAKSA-N 2 0 347.503 3.141 20 0 EGADRP CCCCO[C@@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC000577990457 324898756 /nfs/dbraw/zinc/89/87/56/324898756.db2.gz PIBLEKPIGIKXKE-JKSUJKDBSA-N 2 0 328.566 3.387 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000578727353 325009290 /nfs/dbraw/zinc/00/92/90/325009290.db2.gz DQFUWYDBKBAILK-CQSZACIVSA-N 2 0 325.294 3.238 20 0 EGADRP CSc1cc(Br)ccc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000578903685 325034988 /nfs/dbraw/zinc/03/49/88/325034988.db2.gz RWAYEEMZWRAJFH-ZWNOBZJWSA-N 2 0 329.307 3.483 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2)n1 ZINC000579700021 325146435 /nfs/dbraw/zinc/14/64/35/325146435.db2.gz IDKUOJGQNROZQV-DLBZAZTESA-N 2 0 328.460 3.091 20 0 EGADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1F ZINC000579717573 325150060 /nfs/dbraw/zinc/15/00/60/325150060.db2.gz DHJDPMSXZPBTSN-HUUCEWRRSA-N 2 0 347.409 3.441 20 0 EGADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OC1CCCC1 ZINC000580049634 325195749 /nfs/dbraw/zinc/19/57/49/325195749.db2.gz GRLOPKOAINWSHR-WBVHZDCISA-N 2 0 332.488 3.494 20 0 EGADRP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000580095206 325203500 /nfs/dbraw/zinc/20/35/00/325203500.db2.gz LVINDKNCYOWQNN-HOCLYGCPSA-N 2 0 330.501 3.409 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000580336160 325237247 /nfs/dbraw/zinc/23/72/47/325237247.db2.gz ASHVXHLXPNKYMK-APWZRJJASA-N 2 0 331.504 3.093 20 0 EGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000581543348 325370406 /nfs/dbraw/zinc/37/04/06/325370406.db2.gz CMENEVHSFUUQEJ-WOJBJXKFSA-N 2 0 348.531 3.001 20 0 EGADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)ccn1 ZINC000582569253 325451727 /nfs/dbraw/zinc/45/17/27/325451727.db2.gz NGVDZZWNIFJOGP-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000582581254 325452610 /nfs/dbraw/zinc/45/26/10/325452610.db2.gz UAXLALVNHWCJPM-HNNXBMFYSA-N 2 0 344.503 3.353 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Br)cs1)CC[NH2+]CC2 ZINC000424298358 458607263 /nfs/dbraw/zinc/60/72/63/458607263.db2.gz UMZWIMAJVZKKSE-LLVKDONJSA-N 2 0 329.307 3.475 20 0 EGADRP Fc1cc(F)cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000180797105 455247114 /nfs/dbraw/zinc/24/71/14/455247114.db2.gz WTPACIXGTZXHSK-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000183242653 455259171 /nfs/dbraw/zinc/25/91/71/455259171.db2.gz WTRNDHGGDDCGMB-SJORKVTESA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000158025731 455260592 /nfs/dbraw/zinc/26/05/92/455260592.db2.gz NEMGJQOPHGJTDC-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000173319314 455264633 /nfs/dbraw/zinc/26/46/33/455264633.db2.gz YULHVTHSDFIUIK-KRWDZBQOSA-N 2 0 335.561 3.477 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CC[C@@H](C)C1 ZINC000584433325 459735996 /nfs/dbraw/zinc/73/59/96/459735996.db2.gz VUQCYBUJZHJRLQ-OLZOCXBDSA-N 2 0 343.284 3.451 20 0 EGADRP CC(C)N(CC[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000158754978 455327108 /nfs/dbraw/zinc/32/71/08/455327108.db2.gz CVDGDKYAVKNYJM-QGZVFWFLSA-N 2 0 348.535 3.097 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc3ncccc3c2)C[C@H](C)O1 ZINC000067453152 453932017 /nfs/dbraw/zinc/93/20/17/453932017.db2.gz LLTABRMPFKUBAZ-CALCHBBNSA-N 2 0 327.472 3.214 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1C ZINC000076329317 453989194 /nfs/dbraw/zinc/98/91/94/453989194.db2.gz AJFUDKYOGDQUAZ-SFHVURJKSA-N 2 0 346.519 3.183 20 0 EGADRP CCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000076331837 453990185 /nfs/dbraw/zinc/99/01/85/453990185.db2.gz OEQNDAWBBJFKBL-SFHVURJKSA-N 2 0 346.519 3.129 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000056522294 454064423 /nfs/dbraw/zinc/06/44/23/454064423.db2.gz DTKMXYDMLMAFGU-QGZVFWFLSA-N 2 0 331.504 3.294 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C2CC2)cc1)C(C)C ZINC000057704215 454142191 /nfs/dbraw/zinc/14/21/91/454142191.db2.gz IXUXLRZLBAIWHZ-INIZCTEOSA-N 2 0 331.504 3.129 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089512851 454157619 /nfs/dbraw/zinc/15/76/19/454157619.db2.gz JURNJAVYXUONJP-MRXNPFEDSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000089603571 454166945 /nfs/dbraw/zinc/16/69/45/454166945.db2.gz ZAIDGZHBBXAWGT-INIZCTEOSA-N 2 0 329.419 3.348 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)N1CC[NH+](C)CC1 ZINC000089701581 454179721 /nfs/dbraw/zinc/17/97/21/454179721.db2.gz NUNAGPHSNFQFPA-YVEFUNNKSA-N 2 0 342.314 3.206 20 0 EGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]CC2=CCCOC2)CC1 ZINC000089813919 454206308 /nfs/dbraw/zinc/20/63/08/454206308.db2.gz GLBGAWDZJUUDQH-UHFFFAOYSA-N 2 0 334.891 3.488 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000071857555 454233741 /nfs/dbraw/zinc/23/37/41/454233741.db2.gz VWWGKNAFEPVPFG-UHFFFAOYSA-N 2 0 326.440 3.199 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634959104 460630764 /nfs/dbraw/zinc/63/07/64/460630764.db2.gz ICMOYCSHWDGQDA-FQEVSTJZSA-N 2 0 346.478 3.284 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[C@H](Oc2ccncc2)C1 ZINC000131697949 454277230 /nfs/dbraw/zinc/27/72/30/454277230.db2.gz LPLPQTDNZIMTKC-AEFFLSMTSA-N 2 0 339.439 3.179 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000090408795 454301090 /nfs/dbraw/zinc/30/10/90/454301090.db2.gz ZDMHRRHBJJEAST-UWJYYQICSA-N 2 0 329.532 3.413 20 0 EGADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047257458 454347225 /nfs/dbraw/zinc/34/72/25/454347225.db2.gz QIRHATORUHZCGT-VQTJNVASSA-N 2 0 341.499 3.029 20 0 EGADRP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000090919888 454352029 /nfs/dbraw/zinc/35/20/29/454352029.db2.gz ZJJZPZNUOPOFNK-LJQANCHMSA-N 2 0 330.447 3.235 20 0 EGADRP CCC[NH+]1CCC(NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC000121342695 454423832 /nfs/dbraw/zinc/42/38/32/454423832.db2.gz OHBMKEHYXRAWNJ-OAQYLSRUSA-N 2 0 345.531 3.296 20 0 EGADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C(C)C)cc1 ZINC000091333135 454427596 /nfs/dbraw/zinc/42/75/96/454427596.db2.gz QWSQFEFGHBAIFS-OAQYLSRUSA-N 2 0 347.547 3.256 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073418226 454433941 /nfs/dbraw/zinc/43/39/41/454433941.db2.gz UCJOPLLTBONAFM-GOSISDBHSA-N 2 0 343.515 3.277 20 0 EGADRP Cc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000091453623 454436864 /nfs/dbraw/zinc/43/68/64/454436864.db2.gz CJVZHZCGIJFUIN-MRXNPFEDSA-N 2 0 325.456 3.233 20 0 EGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073887492 454497854 /nfs/dbraw/zinc/49/78/54/454497854.db2.gz XVKXCXXZICSMMG-IBGZPJMESA-N 2 0 338.455 3.237 20 0 EGADRP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564884 454498796 /nfs/dbraw/zinc/49/87/96/454498796.db2.gz VKOUCLUCMVBGBR-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000092381367 454558195 /nfs/dbraw/zinc/55/81/95/454558195.db2.gz PGARPVKEBFLSOO-UHFFFAOYSA-N 2 0 330.451 3.175 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122711996 454562379 /nfs/dbraw/zinc/56/23/79/454562379.db2.gz RKAGHLDLIFYSKJ-QVTFKHNJSA-N 2 0 349.563 3.407 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000122830915 454572771 /nfs/dbraw/zinc/57/27/71/454572771.db2.gz CINFQKQHOQZXIF-QZTJIDSGSA-N 2 0 347.503 3.284 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092740501 454622099 /nfs/dbraw/zinc/62/20/99/454622099.db2.gz ODGJVGUAARCCDK-ZFWWWQNUSA-N 2 0 325.522 3.023 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)c1 ZINC000105449062 454639624 /nfs/dbraw/zinc/63/96/24/454639624.db2.gz SSZBXMMDAPNVGN-UHFFFAOYSA-N 2 0 337.471 3.018 20 0 EGADRP Cc1noc(C)c1CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821066 454640345 /nfs/dbraw/zinc/64/03/45/454640345.db2.gz AMYVPAPYZYPFAV-UHFFFAOYSA-N 2 0 342.487 3.467 20 0 EGADRP C[C@H](N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000635004042 460646058 /nfs/dbraw/zinc/64/60/58/460646058.db2.gz MSUNQOYFIDOGDF-RCBQFDQVSA-N 2 0 329.410 3.038 20 0 EGADRP C[NH+](C)C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000635002861 460646384 /nfs/dbraw/zinc/64/63/84/460646384.db2.gz ALXWWWZBKLKDQZ-PMPSAXMXSA-N 2 0 329.410 3.168 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000066178623 454665330 /nfs/dbraw/zinc/66/53/30/454665330.db2.gz ZQUSQFTYQXQGMP-KRWDZBQOSA-N 2 0 348.535 3.056 20 0 EGADRP C[C@@H](N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000635004045 460647672 /nfs/dbraw/zinc/64/76/72/460647672.db2.gz MSUNQOYFIDOGDF-WQVCFCJDSA-N 2 0 329.410 3.038 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000093132712 454686567 /nfs/dbraw/zinc/68/65/67/454686567.db2.gz FVHHGYXIGCRUGR-GOSISDBHSA-N 2 0 335.923 3.169 20 0 EGADRP FC(F)(F)[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000635007058 460649251 /nfs/dbraw/zinc/64/92/51/460649251.db2.gz DKXPZLXMXMTNLR-INIZCTEOSA-N 2 0 336.361 3.207 20 0 EGADRP C[C@H](CC[NH2+]C1CCC2(CC1)OCCO2)[N@H+](C)Cc1ccccc1 ZINC000161601652 454706605 /nfs/dbraw/zinc/70/66/05/454706605.db2.gz XZWLDSQAVIHXCN-QGZVFWFLSA-N 2 0 332.488 3.172 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000152654727 454706961 /nfs/dbraw/zinc/70/69/61/454706961.db2.gz SXRAPJNJHKVVDK-AHIWAGSCSA-N 2 0 337.895 3.295 20 0 EGADRP CC(C)c1nc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cs1 ZINC000635006985 460649836 /nfs/dbraw/zinc/64/98/36/460649836.db2.gz CVFZFEZKLQNGFA-CYBMUJFWSA-N 2 0 331.489 3.244 20 0 EGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000152741898 454719729 /nfs/dbraw/zinc/71/97/29/454719729.db2.gz PMJAWHNSOQWRHC-AWEZNQCLSA-N 2 0 326.444 3.071 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc2c(c1)CCC2 ZINC000124375364 454725756 /nfs/dbraw/zinc/72/57/56/454725756.db2.gz LBDXIXXWJAVKHB-KRWDZBQOSA-N 2 0 329.532 3.100 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cccn3C)CC2)cc1 ZINC000161845215 454729309 /nfs/dbraw/zinc/72/93/09/454729309.db2.gz IMPNGNVCTNYHQR-UHFFFAOYSA-N 2 0 327.472 3.036 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635010634 460654142 /nfs/dbraw/zinc/65/41/42/460654142.db2.gz UGLZPIYIXFBQNY-FUHWJXTLSA-N 2 0 348.560 3.035 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010962 460654299 /nfs/dbraw/zinc/65/42/99/460654299.db2.gz WVYFHGWGWZGJRH-GOSISDBHSA-N 2 0 338.455 3.125 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000246291631 455465274 /nfs/dbraw/zinc/46/52/74/455465274.db2.gz NIQUNMAKDQWDRP-FYQPLNBISA-N 2 0 349.563 3.397 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1C ZINC000163583578 454856646 /nfs/dbraw/zinc/85/66/46/454856646.db2.gz NHUAZXLZJRGYOA-BEFAXECRSA-N 2 0 335.923 3.377 20 0 EGADRP Cc1ccc(CNc2ncnc3c2cnn3-c2ccncc2)c(C)c1 ZINC000163609203 454858809 /nfs/dbraw/zinc/85/88/09/454858809.db2.gz QRQYJYQBWDDOOL-UHFFFAOYSA-N 2 0 330.395 3.439 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CC1 ZINC000163971500 454870905 /nfs/dbraw/zinc/87/09/05/454870905.db2.gz AIJOMONGKDYBGK-NRFANRHFSA-N 2 0 346.515 3.454 20 0 EGADRP COCCCCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177508067 454871730 /nfs/dbraw/zinc/87/17/30/454871730.db2.gz PPVYGHMVZWINBM-QZTJIDSGSA-N 2 0 326.525 3.014 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000126382764 454889945 /nfs/dbraw/zinc/88/99/45/454889945.db2.gz HWYJTWCPRQUWST-LRDDRELGSA-N 2 0 343.284 3.451 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154408851 454894044 /nfs/dbraw/zinc/89/40/44/454894044.db2.gz HHXWMHOXYUUFTL-SFHVURJKSA-N 2 0 333.520 3.152 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154425564 454895743 /nfs/dbraw/zinc/89/57/43/454895743.db2.gz GRTWVNGJDXOLRD-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)C[NH+]1CCCC1 ZINC000165281577 454898070 /nfs/dbraw/zinc/89/80/70/454898070.db2.gz RYSRWHRFWDIUNP-HUUCEWRRSA-N 2 0 329.488 3.299 20 0 EGADRP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000165324424 454898082 /nfs/dbraw/zinc/89/80/82/454898082.db2.gz HKDULYZXIDISGV-ZWKOTPCHSA-N 2 0 326.488 3.314 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)[NH3+] ZINC000166288761 454909889 /nfs/dbraw/zinc/90/98/89/454909889.db2.gz DKJADNGPNIVTBN-LBPRGKRZSA-N 2 0 346.302 3.011 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CN1C1CC1 ZINC000166316171 454910298 /nfs/dbraw/zinc/91/02/98/454910298.db2.gz CGALNZVALMOMKP-KHQOZGCUSA-N 2 0 339.483 3.034 20 0 EGADRP CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151175424 454947849 /nfs/dbraw/zinc/94/78/49/454947849.db2.gz ICVKAQMBZAHKRN-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000114475714 454956656 /nfs/dbraw/zinc/95/66/56/454956656.db2.gz QYEVBDUHVHQGBQ-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP COCCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178758851 454974413 /nfs/dbraw/zinc/97/44/13/454974413.db2.gz PCWPYHLTZBFVMF-HZPDHXFCSA-N 2 0 337.483 3.043 20 0 EGADRP COC(=O)c1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000151626570 455009309 /nfs/dbraw/zinc/00/93/09/455009309.db2.gz HQZLVASIDKICHG-MRXNPFEDSA-N 2 0 336.501 3.293 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000115628786 455023804 /nfs/dbraw/zinc/02/38/04/455023804.db2.gz DGQMQFOQEMDJIG-XLIONFOSSA-N 2 0 344.499 3.189 20 0 EGADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151878844 455044083 /nfs/dbraw/zinc/04/40/83/455044083.db2.gz CWICUSWSQQGGBR-GOSISDBHSA-N 2 0 348.531 3.466 20 0 EGADRP Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000156355885 455108493 /nfs/dbraw/zinc/10/84/93/455108493.db2.gz AIUSIWAXPTXEOE-SFHVURJKSA-N 2 0 344.503 3.181 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+](C3c4ccccc4-c4ccccc43)C2)CC1 ZINC000118834573 455113588 /nfs/dbraw/zinc/11/35/88/455113588.db2.gz XBXVULXQSXPGGW-GOSISDBHSA-N 2 0 347.506 3.468 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000129575351 455116855 /nfs/dbraw/zinc/11/68/55/455116855.db2.gz RABFBBJDQJGBQL-ZBFHGGJFSA-N 2 0 347.469 3.256 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000152456637 455122303 /nfs/dbraw/zinc/12/23/03/455122303.db2.gz BKJOKYJQMRKAMN-CYBMUJFWSA-N 2 0 341.858 3.081 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000129794064 455125841 /nfs/dbraw/zinc/12/58/41/455125841.db2.gz IGLFDVHNNCACKW-QGZVFWFLSA-N 2 0 334.504 3.363 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000156956935 455158377 /nfs/dbraw/zinc/15/83/77/455158377.db2.gz DEGUYTDEWZHXBX-UZLBHIALSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2coc(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000237404910 455181923 /nfs/dbraw/zinc/18/19/23/455181923.db2.gz MMTHWZSLVRJKPW-IAGOWNOFSA-N 2 0 343.471 3.321 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2)C1 ZINC000237479394 455187639 /nfs/dbraw/zinc/18/76/39/455187639.db2.gz FYLHHFQCZYGMDW-CQSZACIVSA-N 2 0 327.428 3.223 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c(C[NH+](C)C)c1 ZINC000237583390 455196397 /nfs/dbraw/zinc/19/63/97/455196397.db2.gz JAJKMQXNAFESMR-KXBFYZLASA-N 2 0 325.456 3.331 20 0 EGADRP C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237606113 455198628 /nfs/dbraw/zinc/19/86/28/455198628.db2.gz BNUKIIKWAAQROG-VQIMIIECSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237671336 455205498 /nfs/dbraw/zinc/20/54/98/455205498.db2.gz QZOBEGJKHUQUCC-KRWDZBQOSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000237674147 455206266 /nfs/dbraw/zinc/20/62/66/455206266.db2.gz JPUYHWLZOYQFAT-LAUBAEHRSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CC2([NH3+])CCC2)C1 ZINC000237707289 455209768 /nfs/dbraw/zinc/20/97/68/455209768.db2.gz WZMCHRNFAIGAMT-IRXDYDNUSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000245395104 455285191 /nfs/dbraw/zinc/28/51/91/455285191.db2.gz ZHEDRQANLHMOHR-MUGJNUQGSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@H+](CCCc1nc(-c2ccccc2)no1)CC[C@H]1CCCC[NH+]1C ZINC000173635390 455320134 /nfs/dbraw/zinc/32/01/34/455320134.db2.gz ZWXOKPTUGVUEHQ-GOSISDBHSA-N 2 0 342.487 3.475 20 0 EGADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159153976 455355692 /nfs/dbraw/zinc/35/56/92/455355692.db2.gz VKGCKUMXIDBJQS-RBUKOAKNSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCCC1 ZINC000181687332 455372233 /nfs/dbraw/zinc/37/22/33/455372233.db2.gz FMENDGNLYWUOOC-RCCFBDPRSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000174453242 455392419 /nfs/dbraw/zinc/39/24/19/455392419.db2.gz NSQWTVPVDYAMHR-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP COC(=O)c1oc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246100824 455426333 /nfs/dbraw/zinc/42/63/33/455426333.db2.gz OQSCZLBNMPCVQG-ZOBUZTSGSA-N 2 0 346.471 3.384 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182259708 455474704 /nfs/dbraw/zinc/47/47/04/455474704.db2.gz YWICFHXMHFEANG-UZLBHIALSA-N 2 0 340.467 3.113 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(F)c1F ZINC000182270030 455477897 /nfs/dbraw/zinc/47/78/97/455477897.db2.gz JKBFUFBUMZIDAX-PBHICJAKSA-N 2 0 346.421 3.382 20 0 EGADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000185306179 455536850 /nfs/dbraw/zinc/53/68/50/455536850.db2.gz MJFSRINSPOATCL-SFHVURJKSA-N 2 0 339.483 3.400 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182605972 455551711 /nfs/dbraw/zinc/55/17/11/455551711.db2.gz NKJMXUYCIIBREV-IBGZPJMESA-N 2 0 326.488 3.373 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247110076 455560758 /nfs/dbraw/zinc/56/07/58/455560758.db2.gz SZYAFEFTXKDPKB-SVFBPWRDSA-N 2 0 344.547 3.002 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000182691450 455569372 /nfs/dbraw/zinc/56/93/72/455569372.db2.gz ARJMNDBXOLDQCA-KRWDZBQOSA-N 2 0 339.524 3.242 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000247303854 455585967 /nfs/dbraw/zinc/58/59/67/455585967.db2.gz VIBQFZRPCDNRIF-QFBILLFUSA-N 2 0 329.488 3.395 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688027 455596913 /nfs/dbraw/zinc/59/69/13/455596913.db2.gz UYQSOCBRYBRFAF-SLYNCCJLSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCCC1 ZINC000247466349 455605735 /nfs/dbraw/zinc/60/57/35/455605735.db2.gz RKHVQIZFDANHGM-HSALFYBXSA-N 2 0 349.563 3.364 20 0 EGADRP COC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185756302 455615258 /nfs/dbraw/zinc/61/52/58/455615258.db2.gz PDWMBCIASWDMFG-QAPCUYQASA-N 2 0 330.472 3.216 20 0 EGADRP COc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185758647 455615592 /nfs/dbraw/zinc/61/55/92/455615592.db2.gz ISOZWNCKUMYNII-DLBZAZTESA-N 2 0 332.488 3.317 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000192517380 455635033 /nfs/dbraw/zinc/63/50/33/455635033.db2.gz ORSLRMUJYLMIDY-OAQYLSRUSA-N 2 0 339.483 3.019 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271438601 455636566 /nfs/dbraw/zinc/63/65/66/455636566.db2.gz CCVYWPBUUCYPPE-AVQSHMDHSA-N 2 0 346.490 3.417 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000284244501 455656799 /nfs/dbraw/zinc/65/67/99/455656799.db2.gz VHBPZGHDSSLKHS-RTWAWAEBSA-N 2 0 340.515 3.062 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192657998 455663475 /nfs/dbraw/zinc/66/34/75/455663475.db2.gz PNTYTADILDPETD-HOCLYGCPSA-N 2 0 346.471 3.216 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000268424931 455680065 /nfs/dbraw/zinc/68/00/65/455680065.db2.gz MXQYIIMIVTUGDS-UHFFFAOYSA-N 2 0 331.287 3.318 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000192741491 455682494 /nfs/dbraw/zinc/68/24/94/455682494.db2.gz SOZAFGXUZWRWMZ-FPOVZHCZSA-N 2 0 329.532 3.281 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000248126775 455684389 /nfs/dbraw/zinc/68/43/89/455684389.db2.gz NZUBRMZNLZFECT-WMLDXEAASA-N 2 0 335.879 3.085 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000268445479 455684587 /nfs/dbraw/zinc/68/45/87/455684587.db2.gz TVEWTWUBXKFNKW-UHFFFAOYSA-N 2 0 345.512 3.135 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000271563705 455685608 /nfs/dbraw/zinc/68/56/08/455685608.db2.gz YEECFEHULNNHDF-ZBFHGGJFSA-N 2 0 330.501 3.068 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000268884638 455718375 /nfs/dbraw/zinc/71/83/75/455718375.db2.gz IGVOAXAKVJRISS-SJLPKXTDSA-N 2 0 327.472 3.122 20 0 EGADRP CO[C@H](C)[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000268905231 455725364 /nfs/dbraw/zinc/72/53/64/455725364.db2.gz GNZZMMKIWYDGFU-ZWKOTPCHSA-N 2 0 334.504 3.071 20 0 EGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268988946 455755819 /nfs/dbraw/zinc/75/58/19/455755819.db2.gz MDLKJFQKJUVURO-HNNXBMFYSA-N 2 0 342.936 3.257 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000268995306 455757871 /nfs/dbraw/zinc/75/78/71/455757871.db2.gz XMSQVGMNBBNYQQ-WOJBJXKFSA-N 2 0 327.472 3.025 20 0 EGADRP CCOc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1OC(F)F ZINC000271788118 455759621 /nfs/dbraw/zinc/75/96/21/455759621.db2.gz FYUNKZBPDUFAJE-UHFFFAOYSA-N 2 0 326.387 3.038 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024946 455766894 /nfs/dbraw/zinc/76/68/94/455766894.db2.gz REBKNTLXHLPZRR-FKPGQJDZSA-N 2 0 327.516 3.112 20 0 EGADRP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000269081628 455785709 /nfs/dbraw/zinc/78/57/09/455785709.db2.gz ZRYZTWUAJWTVHC-AZUAARDMSA-N 2 0 325.456 3.470 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000186565366 455794820 /nfs/dbraw/zinc/79/48/20/455794820.db2.gz HHOBIVANNIPNJT-HUUCEWRRSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000186600407 455803074 /nfs/dbraw/zinc/80/30/74/455803074.db2.gz RTFANXRQXXWBLH-MSOLQXFVSA-N 2 0 329.532 3.242 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000285561330 455869754 /nfs/dbraw/zinc/86/97/54/455869754.db2.gz HGTQBLHXWPLNMX-WBAXXEDZSA-N 2 0 332.488 3.160 20 0 EGADRP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(Cl)nc1 ZINC000272200377 455875078 /nfs/dbraw/zinc/87/50/78/455875078.db2.gz IXGWDJUOKGOHCL-CZUORRHYSA-N 2 0 345.878 3.443 20 0 EGADRP c1cn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000285611728 455881872 /nfs/dbraw/zinc/88/18/72/455881872.db2.gz KHJKHKQEQDDCSA-PCCBWWKXSA-N 2 0 338.499 3.164 20 0 EGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000272241044 455889323 /nfs/dbraw/zinc/88/93/23/455889323.db2.gz XKYAEQHRYMKJKC-QGZVFWFLSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)n1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272245415 455889843 /nfs/dbraw/zinc/88/98/43/455889843.db2.gz XGEAZMAYPNRVGI-YLJYHZDGSA-N 2 0 326.488 3.464 20 0 EGADRP CCn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000285716260 455902407 /nfs/dbraw/zinc/90/24/07/455902407.db2.gz PXJNLASXJIAERW-NJDAHSKKSA-N 2 0 338.499 3.293 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)CN1Cc1ccccc1 ZINC000187392611 455903979 /nfs/dbraw/zinc/90/39/79/455903979.db2.gz POGDMOIKMWBRJD-MJGOQNOKSA-N 2 0 348.494 3.368 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000296365918 455919622 /nfs/dbraw/zinc/91/96/22/455919622.db2.gz IZTUJEVZTKWXLK-CUJSOJNGSA-N 2 0 342.483 3.383 20 0 EGADRP CCCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000261703985 455930640 /nfs/dbraw/zinc/93/06/40/455930640.db2.gz OMPSGQLXCUQWPX-UHFFFAOYSA-N 2 0 344.286 3.396 20 0 EGADRP C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385157 455933840 /nfs/dbraw/zinc/93/38/40/455933840.db2.gz WYYJGJMCYBIQGY-WIYYLYMNSA-N 2 0 341.543 3.361 20 0 EGADRP CCCOc1c(Cl)cc(CN2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261745384 455939866 /nfs/dbraw/zinc/93/98/66/455939866.db2.gz KUSHLNGUSBPNEU-QGZVFWFLSA-N 2 0 326.868 3.308 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](COC)C2CCOCC2)cc1 ZINC000187713318 455942899 /nfs/dbraw/zinc/94/28/99/455942899.db2.gz LCDHTROEODUFFG-FQEVSTJZSA-N 2 0 334.504 3.060 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285926250 455943213 /nfs/dbraw/zinc/94/32/13/455943213.db2.gz CQZQCEHGJCMQOL-HZPDHXFCSA-N 2 0 345.487 3.036 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000187763526 455950316 /nfs/dbraw/zinc/95/03/16/455950316.db2.gz LCFZSZBLSBHLRW-KRWDZBQOSA-N 2 0 338.517 3.180 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000261835069 455955741 /nfs/dbraw/zinc/95/57/41/455955741.db2.gz UMUSBXJXGVPDON-KVSKMBFKSA-N 2 0 329.488 3.232 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261939408 455974692 /nfs/dbraw/zinc/97/46/92/455974692.db2.gz MZQGDUMQFZWACG-LJQANCHMSA-N 2 0 341.499 3.391 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000261985418 455981109 /nfs/dbraw/zinc/98/11/09/455981109.db2.gz JQJGZEPGNAKBPL-CQSZACIVSA-N 2 0 337.895 3.297 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566246 455997340 /nfs/dbraw/zinc/99/73/40/455997340.db2.gz UUXXGLQKPYNSDL-GHTZIAJQSA-N 2 0 340.515 3.472 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1ccc(C)cc1 ZINC000272616173 456015764 /nfs/dbraw/zinc/01/57/64/456015764.db2.gz XGQGPKOEJZQFIL-INIZCTEOSA-N 2 0 341.503 3.267 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000262306154 456022509 /nfs/dbraw/zinc/02/25/09/456022509.db2.gz YHGYWUWCIQSPHT-CTNGQTDRSA-N 2 0 332.451 3.047 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000262402236 456032758 /nfs/dbraw/zinc/03/27/58/456032758.db2.gz OHAANAQUWZZIFJ-WMZOPIPTSA-N 2 0 329.488 3.245 20 0 EGADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000272715075 456050092 /nfs/dbraw/zinc/05/00/92/456050092.db2.gz CLTODMAALZJSBT-MRXNPFEDSA-N 2 0 328.859 3.223 20 0 EGADRP C[C@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262665095 456052718 /nfs/dbraw/zinc/05/27/18/456052718.db2.gz PFEPKJGABAJVCZ-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)CC1 ZINC000270919866 456067472 /nfs/dbraw/zinc/06/74/72/456067472.db2.gz OYAFLFAUVBWLPX-UHFFFAOYSA-N 2 0 341.543 3.166 20 0 EGADRP CC[N@H+](CCO)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000270981377 456084289 /nfs/dbraw/zinc/08/42/89/456084289.db2.gz DAVANXSTEFTZMP-UHFFFAOYSA-N 2 0 339.439 3.036 20 0 EGADRP c1cncc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCC2)c1 ZINC000280934778 456087006 /nfs/dbraw/zinc/08/70/06/456087006.db2.gz SAZMVYOGNOKFOA-OXJNMPFZSA-N 2 0 329.488 3.013 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000229613974 456129145 /nfs/dbraw/zinc/12/91/45/456129145.db2.gz HAWYHVTXJBTRBX-UHFFFAOYSA-N 2 0 336.071 3.040 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236686974 456170109 /nfs/dbraw/zinc/17/01/09/456170109.db2.gz MTAAZXJLRHUNLV-UHFFFAOYSA-N 2 0 345.531 3.300 20 0 EGADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236722529 456174976 /nfs/dbraw/zinc/17/49/76/456174976.db2.gz XLDKHGGXDBZSMS-CVEARBPZSA-N 2 0 337.533 3.011 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236778894 456181949 /nfs/dbraw/zinc/18/19/49/456181949.db2.gz MSUHQBQLHJGVLA-VQIMIIECSA-N 2 0 331.504 3.052 20 0 EGADRP Cc1cc(N2CC[NH+](CCOC(C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000301689456 456186687 /nfs/dbraw/zinc/18/66/87/456186687.db2.gz VVYXHVHICVYAKN-UHFFFAOYSA-N 2 0 331.435 3.229 20 0 EGADRP CCC(CC)(CNC(=O)C1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000236826914 456190592 /nfs/dbraw/zinc/19/05/92/456190592.db2.gz BAULMXOBTKPJHN-INIZCTEOSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1cc([C@H](C)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)no1 ZINC000289951527 456192913 /nfs/dbraw/zinc/19/29/13/456192913.db2.gz WOARDEPRJSMNJK-ZACQAIPSSA-N 2 0 343.471 3.443 20 0 EGADRP CCCOc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000236876279 456196097 /nfs/dbraw/zinc/19/60/97/456196097.db2.gz OSNFVUSLCISSBA-ROUUACIJSA-N 2 0 334.504 3.454 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000236928737 456202405 /nfs/dbraw/zinc/20/24/05/456202405.db2.gz XLDZCJHQADGYNQ-IBGZPJMESA-N 2 0 325.456 3.209 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000281383511 456219164 /nfs/dbraw/zinc/21/91/64/456219164.db2.gz WICVFVCJIYZMCN-HXUWFJFHSA-N 2 0 345.531 3.218 20 0 EGADRP COc1ncccc1CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290028964 456219997 /nfs/dbraw/zinc/21/99/97/456219997.db2.gz CSWZEBMUBZUBQQ-PXNSSMCTSA-N 2 0 339.483 3.133 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237087103 456229921 /nfs/dbraw/zinc/22/99/21/456229921.db2.gz WIEIZPIQIVOPBK-QFBILLFUSA-N 2 0 331.504 3.052 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(Cl)cc1F ZINC000281511648 456253158 /nfs/dbraw/zinc/25/31/58/456253158.db2.gz YSQNZNBGRCPHFQ-UHFFFAOYSA-N 2 0 341.858 3.225 20 0 EGADRP COCCOCc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000290159967 456255545 /nfs/dbraw/zinc/25/55/45/456255545.db2.gz XJROALVBRMRJEN-NRFANRHFSA-N 2 0 346.515 3.300 20 0 EGADRP Clc1cc2c(cc1CN1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000290225025 456270792 /nfs/dbraw/zinc/27/07/92/456270792.db2.gz IGFZSZJOMRVOBK-CQSZACIVSA-N 2 0 336.863 3.029 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@]1(C)CCCO1 ZINC000340172651 456289610 /nfs/dbraw/zinc/28/96/10/456289610.db2.gz UJQAVUXGADNUEO-IIMDRIAPSA-N 2 0 346.515 3.343 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275721632 456296527 /nfs/dbraw/zinc/29/65/27/456296527.db2.gz NRQCPSLEBVZINB-NRSPTQNISA-N 2 0 329.532 3.013 20 0 EGADRP COc1ccc(C[N@H+](CCc2cncn2C)CC2CCC2)c(OC)c1 ZINC000297830907 456304141 /nfs/dbraw/zinc/30/41/41/456304141.db2.gz ZPKSMQOZUSQYKX-UHFFFAOYSA-N 2 0 343.471 3.282 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cncc(Br)c3)C2)CC1 ZINC000290364843 456307374 /nfs/dbraw/zinc/30/73/74/456307374.db2.gz HCQVPITWGYZMMM-OAHLLOKOSA-N 2 0 338.293 3.008 20 0 EGADRP CCn1nc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000290375665 456308991 /nfs/dbraw/zinc/30/89/91/456308991.db2.gz HUHZNFUTXZTNKT-QGZVFWFLSA-N 2 0 326.488 3.220 20 0 EGADRP c1cc(N2CCN(CCC[NH2+][C@H]3CCCC34CCCC4)CC2)cc[nH+]1 ZINC000340214482 456317592 /nfs/dbraw/zinc/31/75/92/456317592.db2.gz ICVMJQZDZRRQPB-FQEVSTJZSA-N 2 0 342.531 3.296 20 0 EGADRP COc1ccc(OC)c(C[N@H+](CCc2cncn2C)C(C)(C)C)c1 ZINC000297981218 456337198 /nfs/dbraw/zinc/33/71/98/456337198.db2.gz YDEXSUCYPVCGDZ-UHFFFAOYSA-N 2 0 331.460 3.281 20 0 EGADRP COC[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000275872471 456338648 /nfs/dbraw/zinc/33/86/48/456338648.db2.gz OGEAPBDJOKLQMS-OXQOHEQNSA-N 2 0 331.504 3.402 20 0 EGADRP COC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000275872456 456338695 /nfs/dbraw/zinc/33/86/95/456338695.db2.gz OGEAPBDJOKLQMS-OXJNMPFZSA-N 2 0 331.504 3.402 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000347746809 456346596 /nfs/dbraw/zinc/34/65/96/456346596.db2.gz YTCRLORBLGOMBI-ICSRJNTNSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000275943607 456355429 /nfs/dbraw/zinc/35/54/29/456355429.db2.gz ZLEZJDVUILJZMB-CBPXPLCBSA-N 2 0 342.527 3.464 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000290542219 456359896 /nfs/dbraw/zinc/35/98/96/456359896.db2.gz RHGKAJJSIQFVQH-PKOBYXMFSA-N 2 0 332.488 3.148 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290624725 456386976 /nfs/dbraw/zinc/38/69/76/456386976.db2.gz OWCDPKCMDBHGNT-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298220252 456394844 /nfs/dbraw/zinc/39/48/44/456394844.db2.gz AHSJUZWGPSNAQN-UHFFFAOYSA-N 3 0 338.499 3.292 20 0 EGADRP CN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340369591 456417330 /nfs/dbraw/zinc/41/73/30/456417330.db2.gz FJGMYLFCAMIFRL-FPOVZHCZSA-N 3 0 327.516 3.286 20 0 EGADRP O[C@@H](C[NH2+]CC1CCC(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000347878680 456422473 /nfs/dbraw/zinc/42/24/73/456422473.db2.gz NMLIYOMYQXTHKV-MNLRITNHSA-N 2 0 330.516 3.397 20 0 EGADRP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000290785002 456429461 /nfs/dbraw/zinc/42/94/61/456429461.db2.gz WWIOMQKHGTWUNM-QGZVFWFLSA-N 2 0 348.535 3.055 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000353032643 456450424 /nfs/dbraw/zinc/45/04/24/456450424.db2.gz HDDHSTFYVXOBIE-UHFFFAOYSA-N 2 0 341.421 3.261 20 0 EGADRP COc1cccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000337656180 456462911 /nfs/dbraw/zinc/46/29/11/456462911.db2.gz FNNMYXQQZNJYPB-IAGOWNOFSA-N 2 0 332.488 3.016 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC([NH2+]C(C)C)CC3)c2cc1OC ZINC000298461378 456464264 /nfs/dbraw/zinc/46/42/64/456464264.db2.gz YSJYISRPFFNFKK-UHFFFAOYSA-N 2 0 329.444 3.219 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348085486 456468211 /nfs/dbraw/zinc/46/82/11/456468211.db2.gz MEGDXOKRMWKLCW-KZNAEPCWSA-N 2 0 341.503 3.286 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000303598938 456470245 /nfs/dbraw/zinc/47/02/45/456470245.db2.gz UQUFPNNMXOTVGR-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NCc1ccccc1N1CC[NH+](CC)CC1 ZINC000353074530 456474107 /nfs/dbraw/zinc/47/41/07/456474107.db2.gz UICVRBJMALFEJQ-IBGZPJMESA-N 2 0 346.563 3.039 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000348126230 456501861 /nfs/dbraw/zinc/50/18/61/456501861.db2.gz PMYUTIWNFDMBSQ-MAUKXSAKSA-N 2 0 329.492 3.284 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC[N@@H+]1C ZINC000340517260 456504115 /nfs/dbraw/zinc/50/41/15/456504115.db2.gz ZSBBGOPDQOAQQN-ZBFHGGJFSA-N 2 0 334.533 3.126 20 0 EGADRP Cc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c(-c2cnn(C)c2)c1 ZINC000282539237 456544960 /nfs/dbraw/zinc/54/49/60/456544960.db2.gz BNAZUPDBMMTDFO-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP CSC1(C[NH2+]Cc2cnc(C(C)(C)C)s2)CC[NH+](C)CC1 ZINC000353188490 456547814 /nfs/dbraw/zinc/54/78/14/456547814.db2.gz HFKNJOBURCKVOH-UHFFFAOYSA-N 2 0 327.563 3.358 20 0 EGADRP CSC1(C[NH2+]Cc2cc(C)c3ncccc3c2)CC[NH+](C)CC1 ZINC000353206748 456558227 /nfs/dbraw/zinc/55/82/27/456558227.db2.gz GRDCQDPCVJDIHY-UHFFFAOYSA-N 2 0 329.513 3.460 20 0 EGADRP Cc1ccccc1-c1nc(CNC2CCN(c3ccccn3)CC2)no1 ZINC000276719673 456560685 /nfs/dbraw/zinc/56/06/85/456560685.db2.gz FHQIEFCFZIANSX-UHFFFAOYSA-N 2 0 349.438 3.199 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@]4(C3)CCC[N@H+](C)C4)c2cc1OC ZINC000298924584 456570118 /nfs/dbraw/zinc/57/01/18/456570118.db2.gz OXPBGIDIQRNRQU-HXUWFJFHSA-N 2 0 341.455 3.174 20 0 EGADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000310139108 456580183 /nfs/dbraw/zinc/58/01/83/456580183.db2.gz MRIGONYSZPOZEI-JRSUCEMESA-N 2 0 328.500 3.444 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)N1CC[NH+](C)CC1 ZINC000353277008 456605431 /nfs/dbraw/zinc/60/54/31/456605431.db2.gz WZVOWKASVBRZAM-DOTOQJQBSA-N 2 0 331.495 3.062 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)cc1)C(C)C ZINC000343455457 456632950 /nfs/dbraw/zinc/63/29/50/456632950.db2.gz PXVRQQCXAGYEHI-APWZRJJASA-N 2 0 331.504 3.129 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@H](C)C1 ZINC000277032501 456659715 /nfs/dbraw/zinc/65/97/15/456659715.db2.gz FJVRGAFBXMPUGQ-MBPVOVBZSA-N 2 0 348.506 3.219 20 0 EGADRP C[N@@H+](Cc1ccccc1OCc1ccncc1)CC1CC[NH+](C)CC1 ZINC000353421050 456690147 /nfs/dbraw/zinc/69/01/47/456690147.db2.gz XJGFZMVTNXFJIA-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000353490400 456710572 /nfs/dbraw/zinc/71/05/72/456710572.db2.gz KZFYDCKXVGKSEQ-CMKODMSKSA-N 2 0 332.536 3.002 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc(C2CCC2)cc1)C1CC[NH+](C)CC1 ZINC000353497982 456717137 /nfs/dbraw/zinc/71/71/37/456717137.db2.gz QWLNFRNJPAENNV-UHFFFAOYSA-N 2 0 329.532 3.412 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cc1 ZINC000299578340 456732750 /nfs/dbraw/zinc/73/27/50/456732750.db2.gz CGPAPSQBLKIFBP-WOJBJXKFSA-N 2 0 343.515 3.275 20 0 EGADRP CC(CC[NH+](C)Cc1cccnc1)CC[N@H+](C)Cc1cccnc1 ZINC000299582624 456734244 /nfs/dbraw/zinc/73/42/44/456734244.db2.gz HUNRMTOTVVRPNG-UHFFFAOYSA-N 2 0 326.488 3.457 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000343768536 456772930 /nfs/dbraw/zinc/77/29/30/456772930.db2.gz KIFPGSFTLLZYQS-UTKZUKDTSA-N 2 0 343.515 3.209 20 0 EGADRP Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)nc2)nc(C(C)C)n1 ZINC000301102195 456796877 /nfs/dbraw/zinc/79/68/77/456796877.db2.gz OMGCDQVTECPPLV-OAHLLOKOSA-N 2 0 341.459 3.141 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000291920079 456799634 /nfs/dbraw/zinc/79/96/34/456799634.db2.gz LBBYORCJUVULEX-UHFFFAOYSA-N 2 0 329.532 3.073 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCCC2 ZINC000353632429 456817674 /nfs/dbraw/zinc/81/76/74/456817674.db2.gz TXNPMBROMSXDNG-CVEARBPZSA-N 2 0 326.550 3.141 20 0 EGADRP C[C@@H]1CCC[C@](C[NH2+]C2CCN(Cc3ccccn3)CC2)(N(C)C)C1 ZINC000341512394 456871635 /nfs/dbraw/zinc/87/16/35/456871635.db2.gz SHXHJQJMYZDLKO-NQIIRXRSSA-N 2 0 344.547 3.146 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169504 456875068 /nfs/dbraw/zinc/87/50/68/456875068.db2.gz OAQIEXWNVPZLBX-KZNAEPCWSA-N 2 0 345.531 3.407 20 0 EGADRP CCCN(CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000349368068 456955013 /nfs/dbraw/zinc/95/50/13/456955013.db2.gz NLEIKNLGDFCIPZ-UHFFFAOYSA-N 2 0 330.476 3.249 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H](C)C1 ZINC000353988399 456992180 /nfs/dbraw/zinc/99/21/80/456992180.db2.gz VJSDZCTWPWXPHK-RBUKOAKNSA-N 2 0 345.531 3.230 20 0 EGADRP CC[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+](CC)CC ZINC000345792019 456994267 /nfs/dbraw/zinc/99/42/67/456994267.db2.gz GHOCBFUHWRDSDV-HZPDHXFCSA-N 2 0 337.533 3.122 20 0 EGADRP C[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000359103340 457055588 /nfs/dbraw/zinc/05/55/88/457055588.db2.gz HPMHERDTYLNGPX-OAHLLOKOSA-N 2 0 335.458 3.115 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354096728 457059071 /nfs/dbraw/zinc/05/90/71/457059071.db2.gz LDDVJCBAAGBXED-IBGZPJMESA-N 2 0 342.487 3.009 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339364367 457068541 /nfs/dbraw/zinc/06/85/41/457068541.db2.gz VXROXZCRTQRXSX-FQEVSTJZSA-N 2 0 345.531 3.135 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ncc(C)s2)[C@@H](C)C1 ZINC000349834207 457069968 /nfs/dbraw/zinc/06/99/68/457069968.db2.gz MSJBCKHMGRGJMK-VYDXJSESSA-N 2 0 339.549 3.282 20 0 EGADRP CCOc1cccc(CN(C)CC[C@H]([NH3+])C(C)C)c1OC(F)F ZINC000346644925 457088291 /nfs/dbraw/zinc/08/82/91/457088291.db2.gz NQJFBYQRJOGMNB-AWEZNQCLSA-N 2 0 330.419 3.492 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000354198931 457125776 /nfs/dbraw/zinc/12/57/76/457125776.db2.gz NDGYZNXKXCREOD-UHFFFAOYSA-N 2 0 332.488 3.078 20 0 EGADRP C[C@@H](C[NH2+]CC1(N2CCCCC2)CCOCC1)CC1CCOCC1 ZINC000350049597 457154672 /nfs/dbraw/zinc/15/46/72/457154672.db2.gz PDXGHBRQRLOQOK-GOSISDBHSA-N 2 0 338.536 3.064 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000359950762 457166770 /nfs/dbraw/zinc/16/67/70/457166770.db2.gz UVOIKXJJYQNXIC-DBXWQHBBSA-N 2 0 329.532 3.491 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[NH+](C2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000354287315 457174427 /nfs/dbraw/zinc/17/44/27/457174427.db2.gz ZQYGHWYYFDYCQG-ICSRJNTNSA-N 2 0 343.515 3.030 20 0 EGADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000363020858 457199389 /nfs/dbraw/zinc/19/93/89/457199389.db2.gz WNZAGVNAZBOSRT-VQTJNVASSA-N 2 0 341.499 3.029 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCCOC3)CC2)cc1 ZINC000356904427 457209752 /nfs/dbraw/zinc/20/97/52/457209752.db2.gz SYFCDNRZXWEZJZ-YLJYHZDGSA-N 2 0 346.515 3.312 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000360041294 457219528 /nfs/dbraw/zinc/21/95/28/457219528.db2.gz PDWMYNABVSVUJZ-CGTJXYLNSA-N 2 0 329.488 3.237 20 0 EGADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357019179 457280451 /nfs/dbraw/zinc/28/04/51/457280451.db2.gz VVTSSPURVRLOAO-BZSNNMDCSA-N 2 0 337.552 3.266 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000357111420 457328740 /nfs/dbraw/zinc/32/87/40/457328740.db2.gz NUCYITKQUMZVOX-BZSNNMDCSA-N 2 0 345.531 3.406 20 0 EGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000360837969 457375654 /nfs/dbraw/zinc/37/56/54/457375654.db2.gz SORYTBVEHMTBIT-ZBFHGGJFSA-N 2 0 344.421 3.073 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000342674438 457446909 /nfs/dbraw/zinc/44/69/09/457446909.db2.gz HKEAWHARICPBBW-IRXDYDNUSA-N 2 0 331.504 3.017 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000352536126 457447276 /nfs/dbraw/zinc/44/72/76/457447276.db2.gz ZWUWTOICCPKPPG-AWEZNQCLSA-N 2 0 346.393 3.340 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CNc2cc[nH+]cc2C)cc1OC ZINC000357328520 457449917 /nfs/dbraw/zinc/44/99/17/457449917.db2.gz XUQTYAYPGNVEHB-UHFFFAOYSA-N 2 0 343.471 3.153 20 0 EGADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000392294478 457459052 /nfs/dbraw/zinc/45/90/52/457459052.db2.gz PRQGFJQMXGJPCR-NVXWUHKLSA-N 2 0 337.508 3.016 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000342694497 457461006 /nfs/dbraw/zinc/46/10/06/457461006.db2.gz NXDQHLAJGUNNRO-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP CC[C@H](C[NH2+]Cc1cn(C)nc1C(F)F)N1CCc2ccccc2C1 ZINC000360963789 457470203 /nfs/dbraw/zinc/47/02/03/457470203.db2.gz GCDWDVUSWCUEOL-QGZVFWFLSA-N 2 0 348.441 3.284 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342724774 457480681 /nfs/dbraw/zinc/48/06/81/457480681.db2.gz HIYCEVKWBVILLZ-JTDSTZFVSA-N 2 0 329.488 3.388 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000398041130 457493996 /nfs/dbraw/zinc/49/39/96/457493996.db2.gz RXWFALASUMRVCW-QAPCUYQASA-N 2 0 332.879 3.037 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342751364 457499202 /nfs/dbraw/zinc/49/92/02/457499202.db2.gz ODFUNHIUUQRTKT-ZWOKBUDYSA-N 2 0 343.515 3.065 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000401022423 457522210 /nfs/dbraw/zinc/52/22/10/457522210.db2.gz YIBOWAVWNDYZEA-CLAROIROSA-N 3 0 341.543 3.266 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342807488 457538803 /nfs/dbraw/zinc/53/88/03/457538803.db2.gz ZYZRGWVUUDQDMD-SFHVURJKSA-N 2 0 334.504 3.310 20 0 EGADRP Cc1ncccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000374282245 457567467 /nfs/dbraw/zinc/56/74/67/457567467.db2.gz DNRIUNMUBWGDBP-UHFFFAOYSA-N 2 0 344.547 3.018 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425501488 457578040 /nfs/dbraw/zinc/57/80/40/457578040.db2.gz OKAZOOWNKALFSE-PCCBWWKXSA-N 2 0 327.516 3.067 20 0 EGADRP c1cc(CN2CCOC3(CCOCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000408521111 457578103 /nfs/dbraw/zinc/57/81/03/457578103.db2.gz IWXRZWQWZANPDN-UHFFFAOYSA-N 2 0 344.499 3.054 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)N1CC[NH+](C)CC1 ZINC000361174296 457629456 /nfs/dbraw/zinc/62/94/56/457629456.db2.gz WIGGEQHZDQRVMI-MSOLQXFVSA-N 2 0 338.499 3.035 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425935721 457655565 /nfs/dbraw/zinc/65/55/65/457655565.db2.gz FSKUVSBHTNDYEC-TZMCWYRMSA-N 2 0 325.884 3.153 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000370624512 457684851 /nfs/dbraw/zinc/68/48/51/457684851.db2.gz MAHBZKFQWBBENK-CHWSQXEVSA-N 2 0 327.925 3.221 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370624606 457684901 /nfs/dbraw/zinc/68/49/01/457684901.db2.gz NBQJIRBQFMQKCU-WHSLLNHNSA-N 2 0 345.506 3.207 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000370653446 457691593 /nfs/dbraw/zinc/69/15/93/457691593.db2.gz LZIFVBNBSTZBBA-QUCCMNQESA-N 2 0 326.488 3.373 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000370654307 457692226 /nfs/dbraw/zinc/69/22/26/457692226.db2.gz YFTRIHMFAJOPSI-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370670591 457696475 /nfs/dbraw/zinc/69/64/75/457696475.db2.gz FDXJUYUYLSBZDX-SZMVWBNQSA-N 2 0 329.488 3.183 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000361400504 457719196 /nfs/dbraw/zinc/71/91/96/457719196.db2.gz PGOCCGJSJGFBHC-IBGZPJMESA-N 2 0 345.531 3.308 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000426032549 457762945 /nfs/dbraw/zinc/76/29/45/457762945.db2.gz BLAIABVMBSRARP-ACBHZAAOSA-N 2 0 336.520 3.353 20 0 EGADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000358161858 457826324 /nfs/dbraw/zinc/82/63/24/457826324.db2.gz RMZPTCOIBOFADI-GDBMZVCRSA-N 2 0 330.501 3.068 20 0 EGADRP CCC[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411200479 457827881 /nfs/dbraw/zinc/82/78/81/457827881.db2.gz IKICGDGPHLLKKE-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC(C)Oc1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371292047 457851721 /nfs/dbraw/zinc/85/17/21/457851721.db2.gz ARZCULMCOFAEDY-YSIASYRMSA-N 2 0 332.488 3.157 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc(C(F)(F)F)c1 ZINC000371301181 457854926 /nfs/dbraw/zinc/85/49/26/457854926.db2.gz SPIZRRALZUHLPA-IXDOHACOSA-N 2 0 342.405 3.389 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000411420263 457882188 /nfs/dbraw/zinc/88/21/88/457882188.db2.gz JHCPPVYLKWLVQE-LEWJYISDSA-N 2 0 345.506 3.172 20 0 EGADRP Cc1ccccc1[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000411465918 457896789 /nfs/dbraw/zinc/89/67/89/457896789.db2.gz YWEXYQPDTWAYJX-OAQYLSRUSA-N 2 0 345.531 3.271 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411475702 457897396 /nfs/dbraw/zinc/89/73/96/457897396.db2.gz TUXBPVXGLXYKMR-UXHICEINSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000361884416 457930060 /nfs/dbraw/zinc/93/00/60/457930060.db2.gz DABZQLDGBKILFN-LLVKDONJSA-N 2 0 348.821 3.049 20 0 EGADRP Cc1noc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411721890 457962557 /nfs/dbraw/zinc/96/25/57/457962557.db2.gz XCWYPTNBCNKHNP-LJQANCHMSA-N 2 0 340.471 3.353 20 0 EGADRP c1c[nH]c([C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCCCC2)n1 ZINC000367614853 457968434 /nfs/dbraw/zinc/96/84/34/457968434.db2.gz JEZXYGKILAAMFN-LPHOPBHVSA-N 2 0 346.519 3.122 20 0 EGADRP Cc1cccc(NCC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000358400511 457980206 /nfs/dbraw/zinc/98/02/06/457980206.db2.gz MICWWKPNAABWFM-KRWDZBQOSA-N 2 0 342.487 3.093 20 0 EGADRP C[NH+]1CCC(CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411814773 457985806 /nfs/dbraw/zinc/98/58/06/457985806.db2.gz IFZIMDHAJYLAJC-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000367896270 457993878 /nfs/dbraw/zinc/99/38/78/457993878.db2.gz MYRTXVZEDLJRID-GOEBONIOSA-N 2 0 334.426 3.483 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687912 458035745 /nfs/dbraw/zinc/03/57/45/458035745.db2.gz GIGIXIXJFUTELS-GOSISDBHSA-N 2 0 330.520 3.273 20 0 EGADRP CCc1nccn1[C@@H]1CCCN(C(=O)CCn2ccnc2C(C)C)C1 ZINC000375863841 458100789 /nfs/dbraw/zinc/10/07/89/458100789.db2.gz YQWYDESKRPCKMQ-MRXNPFEDSA-N 2 0 343.475 3.019 20 0 EGADRP Cc1cnc([C@@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000428304717 458117870 /nfs/dbraw/zinc/11/78/70/458117870.db2.gz XMDWAGWNVVZBRJ-MRXNPFEDSA-N 2 0 325.460 3.089 20 0 EGADRP C[NH2+]C[C@@H]1CCN(Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435389916 458134507 /nfs/dbraw/zinc/13/45/07/458134507.db2.gz NCSRIUIKMUBMPV-INIZCTEOSA-N 2 0 331.485 3.072 20 0 EGADRP C[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435430590 458145264 /nfs/dbraw/zinc/14/52/64/458145264.db2.gz CWADTEDAPZGZEX-IBGZPJMESA-N 2 0 325.456 3.235 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000372057399 458177297 /nfs/dbraw/zinc/17/72/97/458177297.db2.gz GEAYUNWYAYWCRE-SFHVURJKSA-N 2 0 337.458 3.225 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000412378348 458186580 /nfs/dbraw/zinc/18/65/80/458186580.db2.gz LXSCXSYCRPETBH-PKOBYXMFSA-N 2 0 329.488 3.439 20 0 EGADRP [NH3+][C@@H]1CC[C@@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000435723287 458190143 /nfs/dbraw/zinc/19/01/43/458190143.db2.gz NUHGSBASDKJOFV-IAGOWNOFSA-N 2 0 326.444 3.317 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000446583995 458201166 /nfs/dbraw/zinc/20/11/66/458201166.db2.gz DKFYIFMXBJTANX-UHFFFAOYSA-N 2 0 346.519 3.177 20 0 EGADRP C[NH2+]CCCN1CCC[C@H]1c1ccccc1I ZINC000435886079 458217943 /nfs/dbraw/zinc/21/79/43/458217943.db2.gz RVQSKKIRBYHGFV-AWEZNQCLSA-N 2 0 344.240 3.038 20 0 EGADRP COC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000446825796 458233324 /nfs/dbraw/zinc/23/33/24/458233324.db2.gz KVDNFLVBUQUCAJ-CTNGQTDRSA-N 2 0 330.516 3.346 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000362551944 458264138 /nfs/dbraw/zinc/26/41/38/458264138.db2.gz KBONVBOZFWHEQM-JTDSTZFVSA-N 2 0 329.488 3.055 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000376325554 458267424 /nfs/dbraw/zinc/26/74/24/458267424.db2.gz RPVFOAMPEPKHFJ-SJORKVTESA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)OC1CC([NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000459350697 458339702 /nfs/dbraw/zinc/33/97/02/458339702.db2.gz WNCVTVNAKYBLQC-FWYSVENZSA-N 2 0 338.536 3.154 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1SC ZINC000459396580 458358763 /nfs/dbraw/zinc/35/87/63/458358763.db2.gz QHMVZKUTQJZWRE-ZCNNSNEGSA-N 2 0 348.556 3.397 20 0 EGADRP C[C@H](CN1CCCC1=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000376655203 458362964 /nfs/dbraw/zinc/36/29/64/458362964.db2.gz FSMZWAQWBQYVEM-QHGAOEGBSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000448021629 458380108 /nfs/dbraw/zinc/38/01/08/458380108.db2.gz JRZOFAZLODDZBF-XLIONFOSSA-N 2 0 347.547 3.398 20 0 EGADRP CCOc1cccc2cc([C@H](C)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)oc21 ZINC000373224355 458435565 /nfs/dbraw/zinc/43/55/65/458435565.db2.gz SLPUSOCSIJJBTQ-USXIJHARSA-N 2 0 344.455 3.345 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000423452556 458435850 /nfs/dbraw/zinc/43/58/50/458435850.db2.gz ZBWUZQGEIBQXPT-IBGZPJMESA-N 2 0 335.536 3.197 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000423453179 458435872 /nfs/dbraw/zinc/43/58/72/458435872.db2.gz AGVNFHPEPOYYSB-CSMYWGQOSA-N 2 0 337.305 3.414 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCc2nccn2C)cc1 ZINC000423464246 458436182 /nfs/dbraw/zinc/43/61/82/458436182.db2.gz QNDVRQRMHBRREH-BQFCYCMXSA-N 2 0 342.487 3.167 20 0 EGADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OCc2nccn2C)cc1 ZINC000423475440 458438513 /nfs/dbraw/zinc/43/85/13/458438513.db2.gz HXYQCRRZLSZPDS-AEFFLSMTSA-N 2 0 342.487 3.182 20 0 EGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491419 458442221 /nfs/dbraw/zinc/44/22/21/458442221.db2.gz JOXHCAGAZSNCCJ-HZPDHXFCSA-N 2 0 329.488 3.192 20 0 EGADRP NC1(C[NH2+][C@@H]2CCC23CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423548206 458455679 /nfs/dbraw/zinc/45/56/79/458455679.db2.gz DUHKPVPNMXLHNT-LJQANCHMSA-N 2 0 327.516 3.292 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000459722548 458456539 /nfs/dbraw/zinc/45/65/39/458456539.db2.gz BSKKWLQJRVPETL-QGZVFWFLSA-N 2 0 326.444 3.090 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(Br)c2F)C1 ZINC000459732510 458460563 /nfs/dbraw/zinc/46/05/63/458460563.db2.gz GBNOQDKXMNZWHW-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586064 458466300 /nfs/dbraw/zinc/46/63/00/458466300.db2.gz XXDKBEZKEUTCJZ-SOLBZPMBSA-N 2 0 339.483 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000459743161 458466409 /nfs/dbraw/zinc/46/64/09/458466409.db2.gz WQQXYGZSOCALNJ-ZDUSSCGKSA-N 2 0 334.414 3.176 20 0 EGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000423760818 458480831 /nfs/dbraw/zinc/48/08/31/458480831.db2.gz NTUBKBYUFKLMMR-IBGZPJMESA-N 2 0 331.504 3.047 20 0 EGADRP CCC[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CC[NH2+]CC1 ZINC000431085452 458526684 /nfs/dbraw/zinc/52/66/84/458526684.db2.gz QWMWRZDSFNQOBD-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000468551203 458526891 /nfs/dbraw/zinc/52/68/91/458526891.db2.gz CKYPOYBYTMXRHW-XDXAGZTOSA-N 2 0 346.515 3.009 20 0 EGADRP CCC[N@H+](CCC(=O)Nc1ccccc1SC)C1CC[NH2+]CC1 ZINC000431087633 458527945 /nfs/dbraw/zinc/52/79/45/458527945.db2.gz USRQKBGKMRLLGN-UHFFFAOYSA-N 2 0 335.517 3.201 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000438087351 458529158 /nfs/dbraw/zinc/52/91/58/458529158.db2.gz FONZWLIZSFZBAI-MRXNPFEDSA-N 2 0 330.447 3.487 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC[C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000438120842 458537950 /nfs/dbraw/zinc/53/79/50/458537950.db2.gz XJMDLCRETNZEFD-HBMCJLEFSA-N 2 0 328.500 3.400 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000424251362 458593057 /nfs/dbraw/zinc/59/30/57/458593057.db2.gz YERVGTFGUSZKHT-LJQANCHMSA-N 2 0 337.467 3.304 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000462120408 458596267 /nfs/dbraw/zinc/59/62/67/458596267.db2.gz JNFIOATUUXYTIT-CQSZACIVSA-N 2 0 342.886 3.094 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)c1 ZINC000438553017 458596170 /nfs/dbraw/zinc/59/61/70/458596170.db2.gz MLBDNIWHDCZKLC-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3cc(Cl)ccc3n1C)CC[NH2+]CC2 ZINC000424285058 458604476 /nfs/dbraw/zinc/60/44/76/458604476.db2.gz FACQUYWFYLKKNG-ZDUSSCGKSA-N 2 0 332.879 3.191 20 0 EGADRP [NH3+]C[C@@H](CN1CCC[N@H+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000424300112 458609441 /nfs/dbraw/zinc/60/94/41/458609441.db2.gz JRIBWLDWGPVVIL-FQEVSTJZSA-N 2 0 347.522 3.456 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431741864 458615052 /nfs/dbraw/zinc/61/50/52/458615052.db2.gz SGZZMUKZYBHCEG-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431745444 458616711 /nfs/dbraw/zinc/61/67/11/458616711.db2.gz QQYYSNLHGBVCSB-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424329969 458617232 /nfs/dbraw/zinc/61/72/32/458617232.db2.gz REEQAQQEJHAQGK-BZUAXINKSA-N 2 0 326.525 3.453 20 0 EGADRP COC(=O)CC1CC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000424349106 458623228 /nfs/dbraw/zinc/62/32/28/458623228.db2.gz MSEGGMVOMVEFOZ-HDYDNRTBSA-N 2 0 344.499 3.220 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424379190 458629288 /nfs/dbraw/zinc/62/92/88/458629288.db2.gz OFPXBANOXVERQF-AWEZNQCLSA-N 2 0 328.435 3.180 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424435708 458643468 /nfs/dbraw/zinc/64/34/68/458643468.db2.gz LTBVLLOBJZWTSN-INIZCTEOSA-N 2 0 346.519 3.476 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462776968 458652203 /nfs/dbraw/zinc/65/22/03/458652203.db2.gz LWIINRIMOMBAPZ-UHFFFAOYSA-N 2 0 329.532 3.461 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494349261 458662377 /nfs/dbraw/zinc/66/23/77/458662377.db2.gz LFUBOAKKXGSDAN-JXFKEZNVSA-N 2 0 341.499 3.484 20 0 EGADRP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000471593424 458702518 /nfs/dbraw/zinc/70/25/18/458702518.db2.gz KYNRKIHYDBOUTG-TZIWHRDSSA-N 2 0 331.548 3.404 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cncc(F)c3)CC2)cc1 ZINC000494615319 458710652 /nfs/dbraw/zinc/71/06/52/458710652.db2.gz BCZLPTLRAIJARA-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000503915074 458729221 /nfs/dbraw/zinc/72/92/21/458729221.db2.gz VKBYGKYCLOJUKQ-UHFFFAOYSA-N 2 0 332.488 3.463 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1(CC)CC ZINC000432408819 458734339 /nfs/dbraw/zinc/73/43/39/458734339.db2.gz VOOXZNNJEYQEOI-FGTMMUONSA-N 2 0 326.525 3.061 20 0 EGADRP CCCc1noc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852369 458743109 /nfs/dbraw/zinc/74/31/09/458743109.db2.gz VSQUNAUADVGBIF-MSOLQXFVSA-N 2 0 342.487 3.194 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472079705 458766088 /nfs/dbraw/zinc/76/60/88/458766088.db2.gz JEEVLCJZWRNQLQ-MRXNPFEDSA-N 2 0 342.531 3.148 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)C[NH+]1CCCCC1 ZINC000494926237 458767153 /nfs/dbraw/zinc/76/71/53/458767153.db2.gz WYDJMYNVNVNRQF-IRXDYDNUSA-N 2 0 331.504 3.161 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CCCC13CC[NH+](C)CC3)O[C@H](C)C2 ZINC000530441958 458767714 /nfs/dbraw/zinc/76/77/14/458767714.db2.gz PEFHIROYISKWQA-OAHLLOKOSA-N 2 0 330.472 3.079 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C2CCC2)cc1 ZINC000547653320 458768248 /nfs/dbraw/zinc/76/82/48/458768248.db2.gz RQKWNXRLTMOQJD-OAQYLSRUSA-N 2 0 329.532 3.453 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)CCCNC(=O)C3CCC3)CC2)C1 ZINC000432799702 458789901 /nfs/dbraw/zinc/78/99/01/458789901.db2.gz ZBVIKFSUNHWJPU-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000495084336 458796505 /nfs/dbraw/zinc/79/65/05/458796505.db2.gz MBWPMYKXPICVPT-MSOLQXFVSA-N 2 0 345.531 3.407 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000518176287 458846165 /nfs/dbraw/zinc/84/61/65/458846165.db2.gz RLNOAHLPZKLDQV-RBUKOAKNSA-N 2 0 331.504 3.237 20 0 EGADRP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000530939063 458847704 /nfs/dbraw/zinc/84/77/04/458847704.db2.gz ZTHHMABBRVJYKV-UHFFFAOYSA-N 2 0 336.476 3.181 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457198715 458895485 /nfs/dbraw/zinc/89/54/85/458895485.db2.gz KGUQXQFTVKVGDQ-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000518980812 458905197 /nfs/dbraw/zinc/90/51/97/458905197.db2.gz NBUKPUTUDOXTKH-IBGZPJMESA-N 2 0 331.504 3.190 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495711236 458927768 /nfs/dbraw/zinc/92/77/68/458927768.db2.gz JFEZPZQCYBDEGN-IAGOWNOFSA-N 2 0 339.524 3.050 20 0 EGADRP CC(C)CN(CC(C)C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441399997 458935864 /nfs/dbraw/zinc/93/58/64/458935864.db2.gz FYCGNRXGYVDTJJ-AZUAARDMSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]C(C2CC2)C2CC2)[C@H](c2ccccc2)C1 ZINC000531685501 458960240 /nfs/dbraw/zinc/96/02/40/458960240.db2.gz CBAJQOFARLSANI-FQEVSTJZSA-N 2 0 327.516 3.143 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](CC1CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000531691366 458961461 /nfs/dbraw/zinc/96/14/61/458961461.db2.gz RZWZQEAKHHEBOC-RTWAWAEBSA-N 2 0 329.532 3.389 20 0 EGADRP C[C@@H](CCc1ccccc1)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000519569333 458964889 /nfs/dbraw/zinc/96/48/89/458964889.db2.gz WZOKFUZBBYGXQS-IBGZPJMESA-N 2 0 331.548 3.213 20 0 EGADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000495873162 458987830 /nfs/dbraw/zinc/98/78/30/458987830.db2.gz GIHLGUFYRPMPQY-IAGOWNOFSA-N 2 0 337.508 3.016 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879821 458990205 /nfs/dbraw/zinc/99/02/05/458990205.db2.gz WJMDGWMZICUPKC-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1nc2ccccc2n1CCC(=O)Nc1ccccc1C[NH+](C)C ZINC000556734224 458999457 /nfs/dbraw/zinc/99/94/57/458999457.db2.gz LBCSZAQFTLBKAO-UHFFFAOYSA-N 2 0 336.439 3.435 20 0 EGADRP CN(C[C@H](O)C[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1)C1CC1 ZINC000519846580 459015194 /nfs/dbraw/zinc/01/51/94/459015194.db2.gz CLJDSZKJWYPNLG-UFFGUFBSSA-N 2 0 328.500 3.400 20 0 EGADRP CN(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924633 459022747 /nfs/dbraw/zinc/02/27/47/459022747.db2.gz RZSYANTXFFPPLW-MSOLQXFVSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556870150 459025725 /nfs/dbraw/zinc/02/57/25/459025725.db2.gz DTVZKTBYCPHRAE-NMIHRBCNSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC000442757555 459031714 /nfs/dbraw/zinc/03/17/14/459031714.db2.gz MJRNPOJKLBAXEP-QZWWFDLISA-N 2 0 339.483 3.075 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059408 459041717 /nfs/dbraw/zinc/04/17/17/459041717.db2.gz XOGYMAVMDQEJSW-WBMJQRKESA-N 2 0 331.287 3.347 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000532193338 459044340 /nfs/dbraw/zinc/04/43/40/459044340.db2.gz IDSLXSRXPSXWJU-UHFFFAOYSA-N 2 0 327.516 3.102 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3C)CC1)C2 ZINC000532202527 459046201 /nfs/dbraw/zinc/04/62/01/459046201.db2.gz IGIWYFOKQNARMR-PAXLWEDBSA-N 2 0 342.531 3.275 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000442875961 459050136 /nfs/dbraw/zinc/05/01/36/459050136.db2.gz QAMFOMRUSCZZPJ-PMACEKPBSA-N 2 0 329.532 3.487 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1(C)C ZINC000442876950 459050482 /nfs/dbraw/zinc/05/04/82/459050482.db2.gz SWHNYPQCHOWSME-IBGZPJMESA-N 2 0 329.532 3.415 20 0 EGADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000567169604 459057404 /nfs/dbraw/zinc/05/74/04/459057404.db2.gz WTBDIHCGANGDCL-MAUKXSAKSA-N 2 0 329.488 3.388 20 0 EGADRP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442917334 459060336 /nfs/dbraw/zinc/06/03/36/459060336.db2.gz AFOALFLUDWUVRD-ZDUSSCGKSA-N 2 0 326.868 3.308 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442922264 459061289 /nfs/dbraw/zinc/06/12/89/459061289.db2.gz KCPAMXNKVMEFGH-HNNXBMFYSA-N 2 0 332.879 3.395 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442932174 459062779 /nfs/dbraw/zinc/06/27/79/459062779.db2.gz XILVEBNFDJFNAM-MRXNPFEDSA-N 2 0 325.456 3.318 20 0 EGADRP CC(C)(C)OC(=O)NCCC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000496105810 459069287 /nfs/dbraw/zinc/06/92/87/459069287.db2.gz QPZHSRIVYJNZJS-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC3(CCC3(F)F)C2)CC1 ZINC000577687454 459072845 /nfs/dbraw/zinc/07/28/45/459072845.db2.gz XBOVATGNJHJACK-UHFFFAOYSA-N 2 0 349.469 3.450 20 0 EGADRP Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000520569214 459073043 /nfs/dbraw/zinc/07/30/43/459073043.db2.gz ZAMNQELPHYYWPW-HXUWFJFHSA-N 2 0 346.515 3.121 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1F ZINC000443057379 459079967 /nfs/dbraw/zinc/07/99/67/459079967.db2.gz GNMNCKLMIHGMKM-KGLIPLIRSA-N 2 0 332.423 3.306 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065160 459082932 /nfs/dbraw/zinc/08/29/32/459082932.db2.gz ZMHVPGPHFXGGCS-CVEARBPZSA-N 2 0 331.504 3.199 20 0 EGADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+]1CC(C)C1 ZINC000557583068 459088505 /nfs/dbraw/zinc/08/85/05/459088505.db2.gz XLGLDHWOIOMJDT-SFHVURJKSA-N 2 0 343.515 3.019 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496254395 459126666 /nfs/dbraw/zinc/12/66/66/459126666.db2.gz KSWDEYWKXQZALR-RTBURBONSA-N 2 0 347.503 3.333 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000496305824 459145325 /nfs/dbraw/zinc/14/53/25/459145325.db2.gz KETUHBBWZSZECZ-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)C[C@@H]1COCC[NH+]1CCCC[N@H+]1CCOC[C@H]1CC(C)C ZINC000558528519 459171174 /nfs/dbraw/zinc/17/11/74/459171174.db2.gz HEEJTCMJNJNONF-WOJBJXKFSA-N 2 0 340.552 3.260 20 0 EGADRP Cc1cc(C)cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000533077954 459185601 /nfs/dbraw/zinc/18/56/01/459185601.db2.gz BSYAVXCIMYZQGW-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCNCc2ccc(Br)o2)C1 ZINC000480650424 459210775 /nfs/dbraw/zinc/21/07/75/459210775.db2.gz YMLFPFOLZLTGFN-STQMWFEESA-N 2 0 329.282 3.500 20 0 EGADRP CCOc1ccc(NC(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000533271291 459210920 /nfs/dbraw/zinc/21/09/20/459210920.db2.gz PGZCSOQGHIFISX-UHFFFAOYSA-N 2 0 347.503 3.076 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCCCC2)[C@H](C)C1 ZINC000480694386 459214013 /nfs/dbraw/zinc/21/40/13/459214013.db2.gz PALOPKSFYKVVSQ-MSOLQXFVSA-N 2 0 326.525 3.062 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000568078288 459223154 /nfs/dbraw/zinc/22/31/54/459223154.db2.gz MGTPAOMGINUTGT-DZGCQCFKSA-N 2 0 346.437 3.175 20 0 EGADRP c1nc2cc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2[nH]1 ZINC000590798755 459224217 /nfs/dbraw/zinc/22/42/17/459224217.db2.gz YTDWGOUSURDNLT-IBGZPJMESA-N 2 0 334.467 3.217 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000595104200 459247031 /nfs/dbraw/zinc/24/70/31/459247031.db2.gz QKLXWDOKXWBLDN-ZYSHUDEJSA-N 2 0 336.520 3.066 20 0 EGADRP CC(C)c1ccc(C[NH+]2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000559321055 459251336 /nfs/dbraw/zinc/25/13/36/459251336.db2.gz SPQQITYTLAAQAP-NRFANRHFSA-N 2 0 329.532 3.412 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496625361 459264668 /nfs/dbraw/zinc/26/46/68/459264668.db2.gz SZOWAMZPBKAAJZ-IKGGRYGDSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@]1(C)CCCO1 ZINC000559787336 459277306 /nfs/dbraw/zinc/27/73/06/459277306.db2.gz NJDCNIRMAZADSJ-WIYYLYMNSA-N 2 0 346.515 3.251 20 0 EGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000582117453 459310258 /nfs/dbraw/zinc/31/02/58/459310258.db2.gz QJJAWRIZQHOBQT-HXUWFJFHSA-N 2 0 348.531 3.145 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN1CCCO)CCC2 ZINC000568628228 459319794 /nfs/dbraw/zinc/31/97/94/459319794.db2.gz PDLRMUCJERAEQJ-APWZRJJASA-N 2 0 334.529 3.222 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659328 459324712 /nfs/dbraw/zinc/32/47/12/459324712.db2.gz MOHFQFFVKRJBOP-FHLIZLRMSA-N 2 0 349.494 3.231 20 0 EGADRP CC(C)[NH2+]CCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000582299492 459342485 /nfs/dbraw/zinc/34/24/85/459342485.db2.gz PQKLOTCBSXMTSM-UHFFFAOYSA-N 2 0 331.504 3.288 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1)C(C)C ZINC000568864681 459356860 /nfs/dbraw/zinc/35/68/60/459356860.db2.gz HPRXEYPRLWQBBM-LJQANCHMSA-N 2 0 331.504 3.179 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000496884296 459357551 /nfs/dbraw/zinc/35/75/51/459357551.db2.gz NKXPNPNULPEUCW-QAPCUYQASA-N 2 0 333.476 3.308 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000496884294 459357728 /nfs/dbraw/zinc/35/77/28/459357728.db2.gz NKXPNPNULPEUCW-CRAIPNDOSA-N 2 0 333.476 3.308 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000497025954 459410831 /nfs/dbraw/zinc/41/08/31/459410831.db2.gz MPVDBZCIFZWKTE-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000540985622 459414937 /nfs/dbraw/zinc/41/49/37/459414937.db2.gz XOFBATWBAURDRK-GOSISDBHSA-N 2 0 348.506 3.363 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000582887312 459444969 /nfs/dbraw/zinc/44/49/69/459444969.db2.gz OFJIBGLIILQVMU-LZQZEXGQSA-N 2 0 336.907 3.362 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000569463240 459455724 /nfs/dbraw/zinc/45/57/24/459455724.db2.gz LPNOSGREECCVKM-LBPRGKRZSA-N 2 0 343.393 3.093 20 0 EGADRP Cc1ccc(NC(=O)CC[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nc1 ZINC000569474851 459459057 /nfs/dbraw/zinc/45/90/57/459459057.db2.gz SSESYZIYDXBQCV-HDICACEKSA-N 2 0 346.519 3.066 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000541572469 459467513 /nfs/dbraw/zinc/46/75/13/459467513.db2.gz MZISHMUDEHBRIP-IEBWSBKVSA-N 2 0 345.531 3.415 20 0 EGADRP CC[N@H+](C[C@@H](O)CN(C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034322 459504530 /nfs/dbraw/zinc/50/45/30/459504530.db2.gz UZTHJEFPUORBMT-PMACEKPBSA-N 2 0 336.495 3.170 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000486810465 459522965 /nfs/dbraw/zinc/52/29/65/459522965.db2.gz QZKLOUKLVOEFPC-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000526974484 459569482 /nfs/dbraw/zinc/56/94/82/459569482.db2.gz GSGIIIDLCPWBAE-DLBZAZTESA-N 2 0 337.939 3.449 20 0 EGADRP Cc1cccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC000573113121 459628240 /nfs/dbraw/zinc/62/82/40/459628240.db2.gz XNAQMOZOBQDNIJ-NRFANRHFSA-N 2 0 329.532 3.376 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000573111312 459628756 /nfs/dbraw/zinc/62/87/56/459628756.db2.gz QSIHHFZOFQTYBD-APWZRJJASA-N 2 0 338.923 3.488 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000500106891 459664163 /nfs/dbraw/zinc/66/41/63/459664163.db2.gz QHPSNVRBZHVKKU-SXLOBPIMSA-N 2 0 345.531 3.180 20 0 EGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000573369772 459666263 /nfs/dbraw/zinc/66/62/63/459666263.db2.gz OHTXOHLBNNOPIL-SFHVURJKSA-N 2 0 325.456 3.472 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527671623 459693504 /nfs/dbraw/zinc/69/35/04/459693504.db2.gz XQJKCLYQKTYEBQ-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc3cc(C)ccc3o2)CC[NH2+]CC1 ZINC000596649060 459713341 /nfs/dbraw/zinc/71/33/41/459713341.db2.gz AOZCYOPOBUANHW-HNNXBMFYSA-N 2 0 344.455 3.152 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000573683655 459717770 /nfs/dbraw/zinc/71/77/70/459717770.db2.gz BFZDMBOHVQIGKR-IBGZPJMESA-N 2 0 347.572 3.402 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000573712703 459723307 /nfs/dbraw/zinc/72/33/07/459723307.db2.gz HSHNUZFRDUCEAR-INIZCTEOSA-N 2 0 344.421 3.071 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000573727699 459724661 /nfs/dbraw/zinc/72/46/61/459724661.db2.gz RLVJFGQRAPWCPB-IRXDYDNUSA-N 2 0 339.483 3.174 20 0 EGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000574071357 459775926 /nfs/dbraw/zinc/77/59/26/459775926.db2.gz FICZVVKMTVGZHC-UXHICEINSA-N 2 0 348.531 3.287 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000574176113 459789217 /nfs/dbraw/zinc/78/92/17/459789217.db2.gz STKONPWSGNTSHX-UHFFFAOYSA-N 2 0 346.519 3.164 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000566005189 459792102 /nfs/dbraw/zinc/79/21/02/459792102.db2.gz WLWXPYMJGAQRFM-UYAOXDASSA-N 2 0 348.531 3.145 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000566107865 459806476 /nfs/dbraw/zinc/80/64/76/459806476.db2.gz BIUANDSIMDTJJX-UXHICEINSA-N 2 0 348.531 3.062 20 0 EGADRP C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc2ccccc2c1 ZINC000574630732 459844718 /nfs/dbraw/zinc/84/47/18/459844718.db2.gz QXFJUULCNFAYRV-AWEZNQCLSA-N 2 0 335.455 3.276 20 0 EGADRP CN(C)[C@@H](C(=O)N1CCNCc2ccccc21)c1cccc(Cl)c1 ZINC000574640066 459847296 /nfs/dbraw/zinc/84/72/96/459847296.db2.gz GKDBUORFYIZHTA-GOSISDBHSA-N 2 0 343.858 3.079 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCc2cncn2C)CC1 ZINC000566414847 459862727 /nfs/dbraw/zinc/86/27/27/459862727.db2.gz SGWNEUMBHQZGJR-GOSISDBHSA-N 2 0 332.536 3.329 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C(C)C)ccc3OC)C2)CC1 ZINC000593958956 460028059 /nfs/dbraw/zinc/02/80/59/460028059.db2.gz NENWERKJOSWVCG-HXUWFJFHSA-N 2 0 345.531 3.030 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618669063 460120046 /nfs/dbraw/zinc/12/00/46/460120046.db2.gz DVPKFICTWKFNJL-UYAOXDASSA-N 2 0 343.515 3.203 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1)C(C)C ZINC000576475804 460150993 /nfs/dbraw/zinc/15/09/93/460150993.db2.gz XEMYQJXCIGWZJA-UHFFFAOYSA-N 2 0 331.504 3.118 20 0 EGADRP COc1ccc(C2([NH2+]Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000598038054 460151681 /nfs/dbraw/zinc/15/16/81/460151681.db2.gz UBVDMLXDJVPIRI-UHFFFAOYSA-N 2 0 340.467 3.415 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000599100627 460162191 /nfs/dbraw/zinc/16/21/91/460162191.db2.gz LDPRYOKGTRCAGV-KRWDZBQOSA-N 2 0 331.504 3.108 20 0 EGADRP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000576607771 460179243 /nfs/dbraw/zinc/17/92/43/460179243.db2.gz GOKKHYHGDDFTBI-MJGOQNOKSA-N 2 0 336.907 3.051 20 0 EGADRP COC(=O)CCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000599405535 460248481 /nfs/dbraw/zinc/24/84/81/460248481.db2.gz YICUMTVFEAQOOA-MRXNPFEDSA-N 2 0 338.517 3.154 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000634679567 460472234 /nfs/dbraw/zinc/47/22/34/460472234.db2.gz YQBSKENLJVCOSP-IBGZPJMESA-N 2 0 345.531 3.136 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623335516 460494673 /nfs/dbraw/zinc/49/46/73/460494673.db2.gz QIJFYIYHJZSKJM-HNNXBMFYSA-N 2 0 333.455 3.007 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000634732528 460498730 /nfs/dbraw/zinc/49/87/30/460498730.db2.gz ILWOJMARFYHCQM-CQSZACIVSA-N 2 0 330.394 3.496 20 0 EGADRP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631667540 460501225 /nfs/dbraw/zinc/50/12/25/460501225.db2.gz QAYUAEUBKMHLNE-LNLFQRSKSA-N 2 0 326.488 3.322 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccsc3C(F)(F)F)C2)CC1 ZINC000623416193 460536803 /nfs/dbraw/zinc/53/68/03/460536803.db2.gz MWFPKBKRHCABLQ-ZDUSSCGKSA-N 2 0 347.450 3.025 20 0 EGADRP Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000629533181 460799032 /nfs/dbraw/zinc/79/90/32/460799032.db2.gz MFEQSRNQOURIIF-CABCVRRESA-N 2 0 329.419 3.302 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000629537284 460799057 /nfs/dbraw/zinc/79/90/57/460799057.db2.gz KACKPMSZUGPNLR-UHFFFAOYSA-N 2 0 339.487 3.150 20 0 EGADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629535009 460799586 /nfs/dbraw/zinc/79/95/86/460799586.db2.gz BVYZRYOOKOHTPB-BBTUJRGHSA-N 2 0 345.531 3.486 20 0 EGADRP c1cc2c(cccc2N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)[nH]1 ZINC000629575211 460812013 /nfs/dbraw/zinc/81/20/13/460812013.db2.gz NHSLQCONBSEDRG-UHFFFAOYSA-N 2 0 346.478 3.136 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000617341335 460817376 /nfs/dbraw/zinc/81/73/76/460817376.db2.gz OJFPEEJOJYELRZ-LJQANCHMSA-N 2 0 343.515 3.275 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@@H](C)C1 ZINC000624112748 460865350 /nfs/dbraw/zinc/86/53/50/460865350.db2.gz KCEFDTJFSWJUHW-OALUTQOASA-N 2 0 347.547 3.394 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000624121123 460871354 /nfs/dbraw/zinc/87/13/54/460871354.db2.gz OORMREBVQNJWIP-HLAWJBBLSA-N 2 0 329.532 3.219 20 0 EGADRP CN(C)CC[NH2+]Cc1ccc(-c2cc(C[NH+](C)C)ccc2F)cc1 ZINC000629736043 460897048 /nfs/dbraw/zinc/89/70/48/460897048.db2.gz AKYJGSIXVAWYGN-UHFFFAOYSA-N 2 0 329.463 3.206 20 0 EGADRP CC(C)c1nccn1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000635996229 461001417 /nfs/dbraw/zinc/00/14/17/461001417.db2.gz CMFCFAAQQNERLV-QGZVFWFLSA-N 2 0 326.444 3.194 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000628228372 461054072 /nfs/dbraw/zinc/05/40/72/461054072.db2.gz MIGZVQPONXYKJJ-DUXKGJEZSA-N 2 0 330.516 3.456 20 0 EGADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000624579321 461058742 /nfs/dbraw/zinc/05/87/42/461058742.db2.gz DXNAYTMYAINURA-OTWHNJEPSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000649489042 461122518 /nfs/dbraw/zinc/12/25/18/461122518.db2.gz JDJVBYKPKJRWPV-NRFANRHFSA-N 2 0 346.515 3.199 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000652349553 461141601 /nfs/dbraw/zinc/14/16/01/461141601.db2.gz SKRHYPWTHALDMI-IIAWOOMASA-N 2 0 331.485 3.015 20 0 EGADRP C[C@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652354183 461149327 /nfs/dbraw/zinc/14/93/27/461149327.db2.gz PEQKABXQMRMPCR-DOTOQJQBSA-N 2 0 328.460 3.119 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@H]1CC[NH3+] ZINC000652354573 461151368 /nfs/dbraw/zinc/15/13/68/461151368.db2.gz CAMWJZXREXRIAX-XLIONFOSSA-N 2 0 343.515 3.262 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000662272336 461159406 /nfs/dbraw/zinc/15/94/06/461159406.db2.gz DWTJIHADHPFPEL-QWHCGFSZSA-N 2 0 328.378 3.249 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000662281283 461162585 /nfs/dbraw/zinc/16/25/85/461162585.db2.gz MFWVSAYORKSMBZ-FBBABVLZSA-N 2 0 328.500 3.325 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291444 461167405 /nfs/dbraw/zinc/16/74/05/461167405.db2.gz SNCNKGYKUKTHHD-WMZOPIPTSA-N 2 0 329.488 3.034 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@H](c2nccn2C)C2CC2)C1 ZINC000637980732 461168809 /nfs/dbraw/zinc/16/88/09/461168809.db2.gz ZVJWXQDNHZFNQK-AOIWGVFYSA-N 2 0 330.520 3.458 20 0 EGADRP c1ccc(CCOCCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662292559 461170948 /nfs/dbraw/zinc/17/09/48/461170948.db2.gz OABQBTVIYOAOPH-OAQYLSRUSA-N 2 0 330.516 3.347 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000662294556 461173318 /nfs/dbraw/zinc/17/33/18/461173318.db2.gz QUJGXGDBHBUAJS-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662298341 461174689 /nfs/dbraw/zinc/17/46/89/461174689.db2.gz VPNMIJISAYZABB-GOSISDBHSA-N 2 0 340.471 3.257 20 0 EGADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298353 461175798 /nfs/dbraw/zinc/17/57/98/461175798.db2.gz VRYLONVPYQWWPD-GDBMZVCRSA-N 2 0 340.471 3.108 20 0 EGADRP CC[C@H](OCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000649566128 461179710 /nfs/dbraw/zinc/17/97/10/461179710.db2.gz CSLOTPKXYNZFBC-IVAOSVALSA-N 2 0 346.515 3.338 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCc2cncc(C)n2)CC1)CC1CC1 ZINC000649572570 461184110 /nfs/dbraw/zinc/18/41/10/461184110.db2.gz ABNMBJNDDRWVRJ-UHFFFAOYSA-N 2 0 330.520 3.162 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)[C@@H]1CCC[NH3+] ZINC000662315441 461187963 /nfs/dbraw/zinc/18/79/63/461187963.db2.gz SORIEFTXTDDTRM-RDTXWAMCSA-N 2 0 347.894 3.260 20 0 EGADRP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000638079404 461228826 /nfs/dbraw/zinc/22/88/26/461228826.db2.gz CTVOGIJRPGPTLX-INIZCTEOSA-N 2 0 331.504 3.065 20 0 EGADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000662400000 461232484 /nfs/dbraw/zinc/23/24/84/461232484.db2.gz YCDXQUMODWDSBB-LJQANCHMSA-N 2 0 331.504 3.065 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662411098 461235512 /nfs/dbraw/zinc/23/55/12/461235512.db2.gz SECXZPJFAPVUPG-VQTJNVASSA-N 2 0 337.467 3.161 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)c2C1 ZINC000655446783 461254913 /nfs/dbraw/zinc/25/49/13/461254913.db2.gz APKYGPIQYKGSCN-WIYYLYMNSA-N 2 0 341.499 3.377 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638135007 461264408 /nfs/dbraw/zinc/26/44/08/461264408.db2.gz RBJPCLDJPAZIJP-GOSISDBHSA-N 2 0 327.472 3.168 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662492600 461268165 /nfs/dbraw/zinc/26/81/65/461268165.db2.gz MNPBCXHUDMCXEF-LPHOPBHVSA-N 2 0 349.478 3.073 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000662497251 461270865 /nfs/dbraw/zinc/27/08/65/461270865.db2.gz HABRPPVOUCVXQR-BSIFCXSSSA-N 2 0 349.478 3.000 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662524530 461281585 /nfs/dbraw/zinc/28/15/85/461281585.db2.gz XZTABMRDEWORNB-QFBILLFUSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000649782713 461349814 /nfs/dbraw/zinc/34/98/14/461349814.db2.gz QIYMIAMFBYFUBY-NJAFHUGGSA-N 2 0 346.519 3.322 20 0 EGADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638292061 461350024 /nfs/dbraw/zinc/35/00/24/461350024.db2.gz UESMVWCHWJKXOD-PZJWPPBQSA-N 2 0 327.516 3.428 20 0 EGADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000655687762 461361683 /nfs/dbraw/zinc/36/16/83/461361683.db2.gz ZDMFXWUEZVMBLE-UXHICEINSA-N 2 0 329.532 3.152 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000668629084 461362481 /nfs/dbraw/zinc/36/24/81/461362481.db2.gz OJABEPXGMCUWMH-NRFANRHFSA-N 2 0 346.515 3.408 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662745548 461364478 /nfs/dbraw/zinc/36/44/78/461364478.db2.gz NOOPOQOMRAJRKN-OALUTQOASA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662825285 461384662 /nfs/dbraw/zinc/38/46/62/461384662.db2.gz HXXOSDHLQPAGBT-KRWDZBQOSA-N 2 0 347.547 3.151 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCOC1 ZINC000638362981 461387959 /nfs/dbraw/zinc/38/79/59/461387959.db2.gz HSHMGVCZWRSLCN-DUXKGJEZSA-N 2 0 346.515 3.202 20 0 EGADRP Nc1c(F)cccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638448499 461432789 /nfs/dbraw/zinc/43/27/89/461432789.db2.gz DKPWNPXZIMUCLP-KRWDZBQOSA-N 2 0 327.447 3.410 20 0 EGADRP CC(=O)N(c1nc(C[NH2+]CCCC[NH+](C)C)cs1)c1ccccc1 ZINC000638450812 461435525 /nfs/dbraw/zinc/43/55/25/461435525.db2.gz IFTQIVOUMSIDLW-UHFFFAOYSA-N 2 0 346.500 3.259 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cnc(C4CCC4)s3)c2)CC1 ZINC000630961165 461442369 /nfs/dbraw/zinc/44/23/69/461442369.db2.gz MKDHHPRXXLEFPK-UHFFFAOYSA-N 2 0 343.500 3.170 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C)[C@@H]1CC1(C)C ZINC000666136165 461467593 /nfs/dbraw/zinc/46/75/93/461467593.db2.gz SGCOTIMAUWPABD-YIOZNXECSA-N 2 0 344.503 3.029 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000659875859 461475944 /nfs/dbraw/zinc/47/59/44/461475944.db2.gz QNBYXTWNUNMTGC-FQEVSTJZSA-N 2 0 346.515 3.067 20 0 EGADRP Cc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000642341690 461500992 /nfs/dbraw/zinc/50/09/92/461500992.db2.gz KHRBYMVRIFKJNN-QFIPXVFZSA-N 2 0 337.511 3.463 20 0 EGADRP COCCc1ncc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000631052560 461506163 /nfs/dbraw/zinc/50/61/63/461506163.db2.gz OCSWBEURKXGIJJ-UHFFFAOYSA-N 2 0 347.528 3.462 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)o1 ZINC000647172913 461543467 /nfs/dbraw/zinc/54/34/67/461543467.db2.gz OWXYQWPIGVHWHJ-OAHLLOKOSA-N 2 0 330.476 3.200 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638722464 461548956 /nfs/dbraw/zinc/54/89/56/461548956.db2.gz REPWSCWSYIASRZ-KUHUBIRLSA-N 2 0 334.479 3.274 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000631113771 461561601 /nfs/dbraw/zinc/56/16/01/461561601.db2.gz LKIMFFNOPWNIFO-PXDRNWIDSA-N 2 0 329.532 3.241 20 0 EGADRP c1cc2c(cc1C[NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)OCCCCO2 ZINC000663344011 461571445 /nfs/dbraw/zinc/57/14/45/461571445.db2.gz LYSASFDWCPYDJA-LJQANCHMSA-N 2 0 344.499 3.450 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663357725 461586343 /nfs/dbraw/zinc/58/63/43/461586343.db2.gz WEOLZNCTEGDXOI-GOSISDBHSA-N 2 0 331.504 3.284 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253318 461591342 /nfs/dbraw/zinc/59/13/42/461591342.db2.gz PEWKDPQKCOIBDY-OAHLLOKOSA-N 2 0 335.517 3.201 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@@H]3C[C@H](C)N(Cc4ccccc4)C3)cn21 ZINC000647262715 461596375 /nfs/dbraw/zinc/59/63/75/461596375.db2.gz LWPWTTMHKXQWCJ-GHTZIAJQSA-N 2 0 348.494 3.438 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C)C1CCOCC1 ZINC000638853517 461619214 /nfs/dbraw/zinc/61/92/14/461619214.db2.gz ICTDMXCCUCFVJG-FQEVSTJZSA-N 2 0 334.504 3.058 20 0 EGADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638873983 461634112 /nfs/dbraw/zinc/63/41/12/461634112.db2.gz OJZUWINAEFDBHG-SLYNCCJLSA-N 2 0 327.516 3.286 20 0 EGADRP CCn1nc(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000631196204 461636582 /nfs/dbraw/zinc/63/65/82/461636582.db2.gz OSIZBAFOJSAERU-OXQOHEQNSA-N 2 0 340.515 3.378 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471832 461662430 /nfs/dbraw/zinc/66/24/30/461662430.db2.gz YOVRKMBZQBHLEV-NVXWUHKLSA-N 2 0 347.478 3.254 20 0 EGADRP COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)c2c1 ZINC000643453501 461730633 /nfs/dbraw/zinc/73/06/33/461730633.db2.gz ILLXLIFHNHOSPD-ZDUSSCGKSA-N 2 0 338.455 3.232 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1F ZINC000643453072 461731399 /nfs/dbraw/zinc/73/13/99/461731399.db2.gz FNFYXYUDDDBQOT-HIBPSGHXSA-N 2 0 349.469 3.301 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c(F)c1 ZINC000643462947 461734320 /nfs/dbraw/zinc/73/43/20/461734320.db2.gz RDYBHPCXZSDYQR-RNIPGJKVSA-N 2 0 349.469 3.444 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000643465043 461736196 /nfs/dbraw/zinc/73/61/96/461736196.db2.gz PUVQRUPDQMYVSI-SJORKVTESA-N 2 0 336.464 3.482 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647498617 461737062 /nfs/dbraw/zinc/73/70/62/461737062.db2.gz LEHZFYNAVSHAEX-RHSMWYFYSA-N 2 0 338.455 3.393 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000639118630 461738942 /nfs/dbraw/zinc/73/89/42/461738942.db2.gz DFIPLVQRGRWRSQ-APWZRJJASA-N 2 0 334.479 3.287 20 0 EGADRP COCCCC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000639121439 461740406 /nfs/dbraw/zinc/74/04/06/461740406.db2.gz OYPMGAMCRZYXBD-FQEVSTJZSA-N 2 0 348.531 3.369 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1(O)CCCC1 ZINC000643493474 461744550 /nfs/dbraw/zinc/74/45/50/461744550.db2.gz HRGPYIJHNMWZHR-PXNSSMCTSA-N 2 0 344.499 3.163 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521972 461752786 /nfs/dbraw/zinc/75/27/86/461752786.db2.gz GAEXFMXHHLARRY-FZMZJTMJSA-N 2 0 329.257 3.251 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535543 461756001 /nfs/dbraw/zinc/75/60/01/461756001.db2.gz GEKPJTOAZLIVQL-CMPLNLGQSA-N 2 0 327.291 3.230 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543382 461756079 /nfs/dbraw/zinc/75/60/79/461756079.db2.gz MDDMGTCGGQBEDY-UXHICEINSA-N 2 0 346.515 3.314 20 0 EGADRP C[C@@H]1C[C@@H](N[C@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000639140430 461757468 /nfs/dbraw/zinc/75/74/68/461757468.db2.gz XNIMISHIYRJKQP-BFVZDQMLSA-N 2 0 343.240 3.094 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1F ZINC000643536349 461757582 /nfs/dbraw/zinc/75/75/82/461757582.db2.gz TUUNAYZLZBTXPH-IINYFYTJSA-N 2 0 327.241 3.381 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542806 461757767 /nfs/dbraw/zinc/75/77/67/461757767.db2.gz CAIOMMZWSAYJIF-OALUTQOASA-N 2 0 330.520 3.138 20 0 EGADRP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647542980 461757841 /nfs/dbraw/zinc/75/78/41/461757841.db2.gz FNODBJNBGBAGOU-ZWKOTPCHSA-N 2 0 342.462 3.223 20 0 EGADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543661 461760246 /nfs/dbraw/zinc/76/02/46/461760246.db2.gz QYDICFSGNWZTKV-CABCVRRESA-N 2 0 332.879 3.199 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647548688 461760897 /nfs/dbraw/zinc/76/08/97/461760897.db2.gz OWZUJZAPFPZLCI-SYAUCNOPSA-N 2 0 337.305 3.358 20 0 EGADRP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549427 461763101 /nfs/dbraw/zinc/76/31/01/461763101.db2.gz ZBZHQGDDWVLJFH-YXJHDRRASA-N 2 0 341.430 3.491 20 0 EGADRP CC1(c2ccccc2)CC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000656499731 461767871 /nfs/dbraw/zinc/76/78/71/461767871.db2.gz ZRIDZQVXUBHULU-KBWCOIMZSA-N 2 0 328.500 3.340 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC000669692208 461769118 /nfs/dbraw/zinc/76/91/18/461769118.db2.gz GYMDLUZWMLMGEX-HOTGVXAUSA-N 2 0 335.458 3.065 20 0 EGADRP COc1cc(C)c([C@@H](C)[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000639169658 461778126 /nfs/dbraw/zinc/77/81/26/461778126.db2.gz ICSGFJKQKXIHJR-GOSISDBHSA-N 2 0 347.547 3.331 20 0 EGADRP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000639201592 461800245 /nfs/dbraw/zinc/80/02/45/461800245.db2.gz XFBRNHHZWYPMHZ-UHFFFAOYSA-N 2 0 332.532 3.406 20 0 EGADRP C[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656617980 461808472 /nfs/dbraw/zinc/80/84/72/461808472.db2.gz WYAJXOPGZOZTPI-NRFANRHFSA-N 2 0 327.516 3.164 20 0 EGADRP CNC(=O)C[C@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000639248423 461825597 /nfs/dbraw/zinc/82/55/97/461825597.db2.gz YIUGXWLGNYQEIE-UWJYYQICSA-N 2 0 345.531 3.039 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC000647784607 461833165 /nfs/dbraw/zinc/83/31/65/461833165.db2.gz ZOEOLYYGCLASDN-SOUVJXGZSA-N 2 0 340.414 3.164 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(OC)c1 ZINC000647789133 461835497 /nfs/dbraw/zinc/83/54/97/461835497.db2.gz ZDKPRZKVIXWXLC-CTAFRAEOSA-N 2 0 345.531 3.056 20 0 EGADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OC(F)F ZINC000647789660 461835507 /nfs/dbraw/zinc/83/55/07/461835507.db2.gz ITLKPJYZKZJUMY-BPLDGKMQSA-N 2 0 340.414 3.164 20 0 EGADRP Brc1cccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791896 461836459 /nfs/dbraw/zinc/83/64/59/461836459.db2.gz PJDIJLMIGAXLKL-YQQAZPJKSA-N 2 0 337.305 3.359 20 0 EGADRP Clc1cccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000647791890 461837015 /nfs/dbraw/zinc/83/70/15/461837015.db2.gz PHVSUSBQQYPHCG-FRRDWIJNSA-N 2 0 329.271 3.350 20 0 EGADRP Clc1cccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000647791891 461837297 /nfs/dbraw/zinc/83/72/97/461837297.db2.gz PHVSUSBQQYPHCG-JHJVBQTASA-N 2 0 329.271 3.350 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000647794210 461838551 /nfs/dbraw/zinc/83/85/51/461838551.db2.gz UNCDDEBXWGUHRP-KMKNWIINSA-N 3 0 341.543 3.265 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000647797937 461840142 /nfs/dbraw/zinc/84/01/42/461840142.db2.gz HSQJRXDZUHIZHQ-PQEBFOHHSA-N 2 0 328.435 3.050 20 0 EGADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647873403 461866779 /nfs/dbraw/zinc/86/67/79/461866779.db2.gz FWPNRPSGXYQQCO-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953838 461886195 /nfs/dbraw/zinc/88/61/95/461886195.db2.gz IYZGZMSLGAEHIL-BBRMVZONSA-N 2 0 335.879 3.097 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cs2)cc1 ZINC000666954344 461886259 /nfs/dbraw/zinc/88/62/59/461886259.db2.gz UYJVFEPAGUQNPS-KRWDZBQOSA-N 2 0 343.496 3.262 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954238 461886550 /nfs/dbraw/zinc/88/65/50/461886550.db2.gz SJPTWDHGPPIZDW-GOSISDBHSA-N 2 0 344.890 3.374 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)s2)cn1 ZINC000656783334 461892504 /nfs/dbraw/zinc/89/25/04/461892504.db2.gz PLHNHDZMQIDIJS-INIZCTEOSA-N 2 0 344.528 3.360 20 0 EGADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656782415 461892926 /nfs/dbraw/zinc/89/29/26/461892926.db2.gz GJOBDKXHBPRFAJ-OAHLLOKOSA-N 2 0 330.501 3.350 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784566 461894852 /nfs/dbraw/zinc/89/48/52/461894852.db2.gz BXDCWDRGCNSZAE-WBVHZDCISA-N 2 0 335.517 3.206 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000650706814 461899696 /nfs/dbraw/zinc/89/96/96/461899696.db2.gz SXMNVZVPWDEKHM-INMHGKMJSA-N 2 0 340.414 3.006 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660655261 461906245 /nfs/dbraw/zinc/90/62/45/461906245.db2.gz LLKGPVKDCLJEPV-RXVVDRJESA-N 2 0 343.515 3.357 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665692 461913921 /nfs/dbraw/zinc/91/39/21/461913921.db2.gz XHNKXXVUENYSMI-QGZVFWFLSA-N 2 0 326.843 3.276 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000650722579 461914556 /nfs/dbraw/zinc/91/45/56/461914556.db2.gz XGDRKFLLYVDLLQ-HOJAQTOUSA-N 2 0 325.456 3.096 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974969 461917229 /nfs/dbraw/zinc/91/72/29/461917229.db2.gz DRDZJZMQNOKIGO-PMPSAXMXSA-N 2 0 349.906 3.379 20 0 EGADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977683 461918214 /nfs/dbraw/zinc/91/82/14/461918214.db2.gz GBCNULLZDLEVFS-IRXDYDNUSA-N 2 0 339.483 3.371 20 0 EGADRP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647976192 461918448 /nfs/dbraw/zinc/91/84/48/461918448.db2.gz LHMSUHLERYDJHU-ZWKOTPCHSA-N 2 0 340.471 3.257 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647976624 461919235 /nfs/dbraw/zinc/91/92/35/461919235.db2.gz RFQPPESCWCSKCH-GBESFXJTSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978276 461921220 /nfs/dbraw/zinc/92/12/20/461921220.db2.gz PGVWYYALQCHHPO-MSOLQXFVSA-N 2 0 340.471 3.257 20 0 EGADRP CC(C)C[NH2+]C1(CO)CCN(Cc2ccc3ccccc3c2)CC1 ZINC000660692887 461927579 /nfs/dbraw/zinc/92/75/79/461927579.db2.gz SMNLILAFMVGOIH-UHFFFAOYSA-N 2 0 326.484 3.412 20 0 EGADRP CSc1cccc(F)c1CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644644730 462020257 /nfs/dbraw/zinc/02/02/57/462020257.db2.gz UTYNKOYWBUYOGL-INIZCTEOSA-N 2 0 348.487 3.130 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000657293706 462023295 /nfs/dbraw/zinc/02/32/95/462023295.db2.gz UBAQNNVICURQQG-ZWKOTPCHSA-N 2 0 334.504 3.454 20 0 EGADRP O=c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc[nH]1 ZINC000639655840 462043074 /nfs/dbraw/zinc/04/30/74/462043074.db2.gz OMEGXYHIGYTKIB-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP CO[C@@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000639683741 462056970 /nfs/dbraw/zinc/05/69/70/462056970.db2.gz AJMUZELKOIAFOF-IBGZPJMESA-N 2 0 329.419 3.121 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000657363770 462073510 /nfs/dbraw/zinc/07/35/10/462073510.db2.gz RULDOXIOHNCCKS-MAUKXSAKSA-N 2 0 340.533 3.121 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)c1 ZINC000657398870 462097313 /nfs/dbraw/zinc/09/73/13/462097313.db2.gz DQUWHFMJZOHPAH-SFTDATJTSA-N 2 0 346.515 3.251 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657412759 462106095 /nfs/dbraw/zinc/10/60/95/462106095.db2.gz DSCWPWIKAQVKAR-FPOVZHCZSA-N 2 0 346.515 3.312 20 0 EGADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657432068 462119474 /nfs/dbraw/zinc/11/94/74/462119474.db2.gz NSZAESPXXFSUMK-HMXCVIKNSA-N 2 0 338.499 3.119 20 0 EGADRP CCC[NH+]1CCC(N(C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667533969 462130891 /nfs/dbraw/zinc/13/08/91/462130891.db2.gz HUZMCWAFFNQOBB-HXUWFJFHSA-N 2 0 332.488 3.161 20 0 EGADRP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000651210960 462135274 /nfs/dbraw/zinc/13/52/74/462135274.db2.gz JEERRAVJHALZLP-ICSRJNTNSA-N 2 0 346.515 3.072 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC000645154265 462205375 /nfs/dbraw/zinc/20/53/75/462205375.db2.gz KIEXQVNGMLKSBA-UHFFFAOYSA-N 2 0 348.874 3.318 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CNc1cc2c(c[nH+]1)CCC2 ZINC000645212572 462236342 /nfs/dbraw/zinc/23/63/42/462236342.db2.gz XTDLTORGMOSRPL-UHFFFAOYSA-N 2 0 337.467 3.079 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000667732314 462237267 /nfs/dbraw/zinc/23/72/67/462237267.db2.gz GHXAYFBZPWDQNX-IBGZPJMESA-N 2 0 338.455 3.104 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC000657813727 462280013 /nfs/dbraw/zinc/28/00/13/462280013.db2.gz YRBRIQVWKDLQJL-AVRDEDQJSA-N 2 0 341.543 3.361 20 0 EGADRP COc1cc(OC)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000651621193 462280111 /nfs/dbraw/zinc/28/01/11/462280111.db2.gz GYIZDZVBBIEPAO-UHFFFAOYSA-N 2 0 338.467 3.395 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657835796 462290177 /nfs/dbraw/zinc/29/01/77/462290177.db2.gz OPBGNKJNDGMUFH-IBGZPJMESA-N 2 0 343.559 3.114 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000657882018 462306768 /nfs/dbraw/zinc/30/67/68/462306768.db2.gz WGWUQESVQAULEB-RTBURBONSA-N 2 0 338.923 3.488 20 0 EGADRP COC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648856783 462307010 /nfs/dbraw/zinc/30/70/10/462307010.db2.gz JDQXCSSFSCRVNZ-LJQANCHMSA-N 2 0 332.488 3.162 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657891482 462309502 /nfs/dbraw/zinc/30/95/02/462309502.db2.gz ZUOKJPPRHZFVII-WMZOPIPTSA-N 2 0 336.907 3.413 20 0 EGADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657891459 462310157 /nfs/dbraw/zinc/31/01/57/462310157.db2.gz ZILPVAYAIYWFJM-INIZCTEOSA-N 2 0 344.421 3.073 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658067396 462364593 /nfs/dbraw/zinc/36/45/93/462364593.db2.gz NFUHGFJFLRJKES-NRFANRHFSA-N 2 0 328.500 3.463 20 0 EGADRP Clc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC000658067932 462364891 /nfs/dbraw/zinc/36/48/91/462364891.db2.gz SHCKURYVYVSDCE-LJQANCHMSA-N 2 0 348.918 3.288 20 0 EGADRP Cc1nc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000658168416 462416235 /nfs/dbraw/zinc/41/62/35/462416235.db2.gz WXNNYCAMHAEDAK-CQSZACIVSA-N 2 0 330.501 3.409 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000640534575 462433191 /nfs/dbraw/zinc/43/31/91/462433191.db2.gz QABYXBPDYGDDCB-IBGZPJMESA-N 2 0 335.536 3.118 20 0 EGADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(OC)c(OC)c(OC)c1 ZINC000652204900 462471913 /nfs/dbraw/zinc/47/19/13/462471913.db2.gz GPOVEUPLYQTMRX-NPYXIHBLSA-N 2 0 348.487 3.378 20 0 EGADRP CCCc1ccc2[nH+]ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000649304582 462474347 /nfs/dbraw/zinc/47/43/47/462474347.db2.gz KVEWODZOQQWJLA-SFHVURJKSA-N 2 0 339.483 3.274 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CCC(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000649331648 462479190 /nfs/dbraw/zinc/47/91/90/462479190.db2.gz KKPCKRYSGIPFAE-INIZCTEOSA-N 2 0 331.504 3.284 20 0 EGADRP [NH3+][C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000649332385 462480708 /nfs/dbraw/zinc/48/07/08/462480708.db2.gz XTMDQOPLJPXOND-QGZVFWFLSA-N 2 0 337.895 3.112 20 0 EGADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000658354082 462486926 /nfs/dbraw/zinc/48/69/26/462486926.db2.gz WRBFEZGRPGCCFY-RBUKOAKNSA-N 2 0 330.520 3.158 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000174344239 534190552 /nfs/dbraw/zinc/19/05/52/534190552.db2.gz ISDMWODFKGHLJF-IEBWSBKVSA-N 2 0 346.515 3.454 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000131327892 528115674 /nfs/dbraw/zinc/11/56/74/528115674.db2.gz YPODQHOSEDTKEO-IAGOWNOFSA-N 2 0 329.492 3.428 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132312815 528203274 /nfs/dbraw/zinc/20/32/74/528203274.db2.gz OTVXBFLKZRPIEQ-WIYYLYMNSA-N 2 0 347.547 3.396 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133156957 528606302 /nfs/dbraw/zinc/60/63/02/528606302.db2.gz FWJCKFBGGPEHMZ-IRXDYDNUSA-N 2 0 332.488 3.237 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000132358444 529016504 /nfs/dbraw/zinc/01/65/04/529016504.db2.gz BYIPAZCVDDYDSL-KDOFPFPSSA-N 2 0 341.902 3.402 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000154251542 529144987 /nfs/dbraw/zinc/14/49/87/529144987.db2.gz JZLOBYKZXAKXCP-AWEZNQCLSA-N 2 0 327.875 3.157 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000344640846 535163186 /nfs/dbraw/zinc/16/31/86/535163186.db2.gz NQFHZDPDGGDKMB-UHFFFAOYSA-N 2 0 346.515 3.243 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192682683 535553833 /nfs/dbraw/zinc/55/38/33/535553833.db2.gz MIPBOXWIUUPJND-IHWFROFDSA-N 3 0 345.531 3.122 20 0 EGADRP CCn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350513374 536052796 /nfs/dbraw/zinc/05/27/96/536052796.db2.gz PFJIZCMIKSKGPX-WOJBJXKFSA-N 2 0 326.488 3.075 20 0 EGADRP COc1ccc2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)sc2c1 ZINC000186728154 537050473 /nfs/dbraw/zinc/05/04/73/537050473.db2.gz IOFPPBZVDXCUBZ-UHFFFAOYSA-N 2 0 333.501 3.469 20 0 EGADRP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000089514024 546645437 /nfs/dbraw/zinc/64/54/37/546645437.db2.gz DXCCWHDZHLZOSS-CVEARBPZSA-N 2 0 331.504 3.491 20 0 EGADRP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CC[NH+](C)CC1 ZINC000089728349 546649001 /nfs/dbraw/zinc/64/90/01/546649001.db2.gz XOABPIROMPQCPG-ZDUSSCGKSA-N 2 0 348.878 3.252 20 0 EGADRP COc1cc(CN2CCN(c3cc[nH+]cc3)CC2)ccc1SC ZINC000151300654 546853518 /nfs/dbraw/zinc/85/35/18/546853518.db2.gz XTNMFRLWIYZNOU-UHFFFAOYSA-N 2 0 329.469 3.134 20 0 EGADRP COc1cccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000154872599 546896483 /nfs/dbraw/zinc/89/64/83/546896483.db2.gz LSXVXJJFVZIJAZ-DYESRHJHSA-N 2 0 345.531 3.152 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000157938780 546924611 /nfs/dbraw/zinc/92/46/11/546924611.db2.gz VVYYSCJZIGKIIK-HNNXBMFYSA-N 2 0 337.458 3.255 20 0 EGADRP C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000163040509 546969043 /nfs/dbraw/zinc/96/90/43/546969043.db2.gz QORQVENWIPJYHK-KRWDZBQOSA-N 2 0 339.593 3.058 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000165074285 546983667 /nfs/dbraw/zinc/98/36/67/546983667.db2.gz IGMLQVFKJIJBDU-RHSMWYFYSA-N 2 0 349.906 3.155 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000166432792 546987143 /nfs/dbraw/zinc/98/71/43/546987143.db2.gz QZYSYCGLOCSAHU-HUUCEWRRSA-N 2 0 340.414 3.056 20 0 EGADRP O=C(CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000246433968 547279985 /nfs/dbraw/zinc/27/99/85/547279985.db2.gz INVPGEHUJZZBHI-IRXDYDNUSA-N 2 0 335.879 3.275 20 0 EGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ncc[nH]1 ZINC000285956165 547389912 /nfs/dbraw/zinc/38/99/12/547389912.db2.gz GLHZIOYAIKYRHU-QGZVFWFLSA-N 2 0 342.487 3.132 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000293194664 547418001 /nfs/dbraw/zinc/41/80/01/547418001.db2.gz IEZCSRUJIPLQCW-LEWJYISDSA-N 2 0 328.500 3.422 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000324100592 547471752 /nfs/dbraw/zinc/47/17/52/547471752.db2.gz CKERVEJEDSUPMP-CQSZACIVSA-N 2 0 343.437 3.382 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339066121 547569370 /nfs/dbraw/zinc/56/93/70/547569370.db2.gz BUJHVWVGJQQOPQ-UXHICEINSA-N 3 0 345.531 3.124 20 0 EGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000354542860 547708106 /nfs/dbraw/zinc/70/81/06/547708106.db2.gz FETSXKHCGWPCFE-FHERZECASA-N 2 0 349.485 3.359 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398111916 547837174 /nfs/dbraw/zinc/83/71/74/547837174.db2.gz DJCSHUJWNMECBO-IHPCNDPISA-N 2 0 345.531 3.024 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(-c2ccccc2)c1 ZINC000500426059 548001882 /nfs/dbraw/zinc/00/18/82/548001882.db2.gz YMOJSOBCWZEMOS-UHFFFAOYSA-N 2 0 337.511 3.423 20 0 EGADRP CNC(=O)[C@H](CC(C)C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000671758102 548354488 /nfs/dbraw/zinc/35/44/88/548354488.db2.gz HGZJNHOHVOQXBC-MHJFOBGBSA-N 2 0 345.531 3.180 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000675752169 548974808 /nfs/dbraw/zinc/97/48/08/548974808.db2.gz MEKNELUPJKKUQB-KYNGSXCRSA-N 2 0 342.487 3.248 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1F ZINC000677237867 549234699 /nfs/dbraw/zinc/23/46/99/549234699.db2.gz OLCPYZFOCMDGFD-OWCLPIDISA-N 2 0 335.442 3.008 20 0 EGADRP Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678125940 549403044 /nfs/dbraw/zinc/40/30/44/549403044.db2.gz YBKWTDZZLJSXAH-FQEVSTJZSA-N 2 0 327.472 3.303 20 0 EGADRP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H]1CCOC1 ZINC000678152127 549412100 /nfs/dbraw/zinc/41/21/00/549412100.db2.gz XIMZANNQJFOGKV-SFHVURJKSA-N 2 0 345.531 3.075 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000678212368 549425979 /nfs/dbraw/zinc/42/59/79/549425979.db2.gz BSSINZYIVRZRKS-UHFFFAOYSA-N 2 0 339.483 3.402 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCS1 ZINC000678270865 549453566 /nfs/dbraw/zinc/45/35/66/549453566.db2.gz LKIURZWYFOJFAI-IBGZPJMESA-N 2 0 334.529 3.489 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(N(C)C)nc2)CC1)CC1CC1 ZINC000678353335 549474906 /nfs/dbraw/zinc/47/49/06/549474906.db2.gz KJPQCYSODJSWIJ-UHFFFAOYSA-N 2 0 344.547 3.482 20 0 EGADRP Clc1ccc2c(c1)nccc2SCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000679312121 549686000 /nfs/dbraw/zinc/68/60/00/549686000.db2.gz QBMDKSWMQDRYFH-STQMWFEESA-N 2 0 333.888 3.132 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000680335076 549851195 /nfs/dbraw/zinc/85/11/95/549851195.db2.gz LLUGNJSJAYIWHI-HNNXBMFYSA-N 2 0 333.501 3.319 20 0 EGADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccccn1 ZINC000680477690 549870094 /nfs/dbraw/zinc/87/00/94/549870094.db2.gz ZNSFMRWLQUZNDL-UHFFFAOYSA-N 2 0 325.456 3.188 20 0 EGADRP COc1cc(C)c([C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000682070152 550068457 /nfs/dbraw/zinc/06/84/57/550068457.db2.gz KIWQEJMWLVUVOF-ROUUACIJSA-N 2 0 348.531 3.398 20 0 EGADRP Fc1ccc(COC2CC[NH+]([C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000682075084 550069308 /nfs/dbraw/zinc/06/93/08/550069308.db2.gz GBARTHNVTCAEDC-RTBURBONSA-N 2 0 332.463 3.434 20 0 EGADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000682912780 550162506 /nfs/dbraw/zinc/16/25/06/550162506.db2.gz JZFYFVSXNBOJEY-OALUTQOASA-N 2 0 344.547 3.420 20 0 EGADRP CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000683078772 550187489 /nfs/dbraw/zinc/18/74/89/550187489.db2.gz IJWDCLZRMIPRTG-HUUCEWRRSA-N 2 0 345.491 3.109 20 0 EGADRP C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684147931 550296458 /nfs/dbraw/zinc/29/64/58/550296458.db2.gz AQYHMZHJEBTFJZ-ICSRJNTNSA-N 2 0 346.515 3.287 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C2CC2)O1 ZINC000684411151 550326603 /nfs/dbraw/zinc/32/66/03/550326603.db2.gz BBLSVHFXPXWYMC-UWJYYQICSA-N 2 0 344.499 3.161 20 0 EGADRP CC(C)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000684554166 550341944 /nfs/dbraw/zinc/34/19/44/550341944.db2.gz XJHVIQBFDOQKHQ-GOSISDBHSA-N 2 0 339.474 3.278 20 0 EGADRP CCCc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000685455290 550418319 /nfs/dbraw/zinc/41/83/19/550418319.db2.gz MGAXIQQKIJENGT-UHFFFAOYSA-N 2 0 329.532 3.099 20 0 EGADRP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000685458043 550419196 /nfs/dbraw/zinc/41/91/96/550419196.db2.gz YVJWXLHQWGDFTK-OAQYLSRUSA-N 2 0 329.532 3.212 20 0 EGADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685471427 550421243 /nfs/dbraw/zinc/42/12/43/550421243.db2.gz VVJZTEDTUQPDAI-LJQANCHMSA-N 2 0 342.487 3.304 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648160 550435783 /nfs/dbraw/zinc/43/57/83/550435783.db2.gz WKOWUHBWAJGHHD-UXLLHSPISA-N 2 0 347.532 3.136 20 0 EGADRP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000305892781 1297064602 /nfs/dbraw/zinc/06/46/02/1297064602.db2.gz OMHMJSJJPJABRI-JKSUJKDBSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc3ncccc23)C[C@H](C)O1 ZINC000873057310 1297249768 /nfs/dbraw/zinc/24/97/68/1297249768.db2.gz ZBLGPEBSOVKKFT-CALCHBBNSA-N 2 0 327.472 3.214 20 0 EGADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000693698136 1298150876 /nfs/dbraw/zinc/15/08/76/1298150876.db2.gz TWQRCQVVVYRPIK-ZCNNSNEGSA-N 2 0 327.516 3.017 20 0 EGADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000693665693 1298151441 /nfs/dbraw/zinc/15/14/41/1298151441.db2.gz UIRBJITWMQTKFO-WOJBJXKFSA-N 3 0 329.532 3.109 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cccs2)CC1 ZINC000061070205 1291959440 /nfs/dbraw/zinc/95/94/40/1291959440.db2.gz OHDORQJHTNMJNL-UHFFFAOYSA-N 2 0 329.513 3.175 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000071825227 1292268926 /nfs/dbraw/zinc/26/89/26/1292268926.db2.gz MCEARLKATVKQMN-OAHLLOKOSA-N 2 0 338.455 3.265 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000073023738 1292302630 /nfs/dbraw/zinc/30/26/30/1292302630.db2.gz OMNHSBXOPDYZPF-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000074231025 1292342108 /nfs/dbraw/zinc/34/21/08/1292342108.db2.gz LEBVLYUPXUIRKO-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@H]([NH3+])C3CC3)ccc21 ZINC000827954110 1292411964 /nfs/dbraw/zinc/41/19/64/1292411964.db2.gz VXOMAEHWTYDQET-SFHVURJKSA-N 2 0 342.487 3.049 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000078876960 1292531161 /nfs/dbraw/zinc/53/11/61/1292531161.db2.gz UEBKTARZKORKGD-UHFFFAOYSA-N 2 0 349.482 3.399 20 0 EGADRP CCc1oc2ccccc2c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000078891815 1292533588 /nfs/dbraw/zinc/53/35/88/1292533588.db2.gz XMCIQIVOTVYAOY-IBGZPJMESA-N 2 0 343.515 3.357 20 0 EGADRP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000078911079 1292534826 /nfs/dbraw/zinc/53/48/26/1292534826.db2.gz ZURDTDSJOHCVJJ-KRWDZBQOSA-N 2 0 332.488 3.448 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000079461625 1292559654 /nfs/dbraw/zinc/55/96/54/1292559654.db2.gz DTWSZUZNVSAUGJ-CRAIPNDOSA-N 2 0 335.467 3.125 20 0 EGADRP CCCCOC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821588 1292892679 /nfs/dbraw/zinc/89/26/79/1292892679.db2.gz SPWYBTRNHJEFPN-KRWDZBQOSA-N 2 0 347.503 3.352 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000105442530 1293035932 /nfs/dbraw/zinc/03/59/32/1293035932.db2.gz ISCFZBXSTPEROT-GOSISDBHSA-N 2 0 331.548 3.347 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000105449547 1293037207 /nfs/dbraw/zinc/03/72/07/1293037207.db2.gz FXFVMUGLWMOJEY-UHFFFAOYSA-N 2 0 326.440 3.199 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000121809368 1293391666 /nfs/dbraw/zinc/39/16/66/1293391666.db2.gz VIIKYKQXYKILDC-JKSUJKDBSA-N 2 0 344.503 3.353 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000131379867 1293688022 /nfs/dbraw/zinc/68/80/22/1293688022.db2.gz JFIFGGMKZACUJN-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000132951923 1293733229 /nfs/dbraw/zinc/73/32/29/1293733229.db2.gz VGLCBJSJBCKPJR-SJORKVTESA-N 2 0 332.488 3.237 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cnc(C(C)(C)C)s2)ccn1 ZINC000136210547 1293812472 /nfs/dbraw/zinc/81/24/72/1293812472.db2.gz AOBFQJOVHFHERY-UHFFFAOYSA-N 2 0 348.516 3.066 20 0 EGADRP CSc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000136221728 1293812677 /nfs/dbraw/zinc/81/26/77/1293812677.db2.gz MOCBDYXXPCGKCZ-UHFFFAOYSA-N 2 0 331.485 3.034 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000158228638 1294200044 /nfs/dbraw/zinc/20/00/44/1294200044.db2.gz OGCOZTIXSSOACR-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc([C@H](O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174397107 1294498396 /nfs/dbraw/zinc/49/83/96/1294498396.db2.gz LTSLSKRBJSYJMF-RBBKRZOGSA-N 2 0 338.495 3.482 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(F)nc2)cc1 ZINC000188993086 1295494717 /nfs/dbraw/zinc/49/47/17/1295494717.db2.gz VPJGIWUSEHXQCK-UHFFFAOYSA-N 2 0 331.435 3.231 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000870907863 1296135694 /nfs/dbraw/zinc/13/56/94/1296135694.db2.gz PYADWWPQLICDNN-QXAKKESOSA-N 2 0 335.536 3.007 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870907253 1296136084 /nfs/dbraw/zinc/13/60/84/1296136084.db2.gz JIFPUIKRXHFVNB-WDSOQIARSA-N 2 0 335.536 3.007 20 0 EGADRP C[N@H+](Cc1cc(Br)cc2c1OCC2)C1CCC([NH3+])CC1 ZINC000228495947 1296152623 /nfs/dbraw/zinc/15/26/23/1296152623.db2.gz BSMVVAUSOCQBFQ-UHFFFAOYSA-N 2 0 339.277 3.086 20 0 EGADRP CC(C)C1CCC([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000236588931 1296191770 /nfs/dbraw/zinc/19/17/70/1296191770.db2.gz GTZMWMOJGXYKIW-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnn(C)c3)cc2)C1 ZINC000237472573 1296245208 /nfs/dbraw/zinc/24/52/08/1296245208.db2.gz SAAACAHHOULGOQ-IAGOWNOFSA-N 2 0 326.488 3.188 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCCC[NH3+] ZINC000237519565 1296247778 /nfs/dbraw/zinc/24/77/78/1296247778.db2.gz WGSOCVRXRGEMIP-KRWDZBQOSA-N 2 0 331.504 3.196 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)C1 ZINC000237552988 1296250406 /nfs/dbraw/zinc/25/04/06/1296250406.db2.gz CCVXHMPOCNNLTF-QGZVFWFLSA-N 2 0 331.504 3.054 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)ccc1OC ZINC000250073305 1296453941 /nfs/dbraw/zinc/45/39/41/1296453941.db2.gz OGRZDQKQUAVQIP-GDIGMMSISA-N 2 0 334.504 3.347 20 0 EGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000261944113 1296610088 /nfs/dbraw/zinc/61/00/88/1296610088.db2.gz FAYPMJUCTOJSPO-UHFFFAOYSA-N 2 0 330.863 3.101 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCCC2 ZINC000872035866 1296683510 /nfs/dbraw/zinc/68/35/10/1296683510.db2.gz NWYIODVHISSASJ-CRAIPNDOSA-N 2 0 332.488 3.403 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(O)c1F ZINC000872086705 1296725534 /nfs/dbraw/zinc/72/55/34/1296725534.db2.gz YQEVQAZPKMYURX-HNNXBMFYSA-N 2 0 343.446 3.489 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@H](n2cncn2)C1 ZINC000283887796 1296732841 /nfs/dbraw/zinc/73/28/41/1296732841.db2.gz CKBAJHUMGIRZOO-MISYRCLQSA-N 2 0 341.503 3.120 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC000872123638 1296751264 /nfs/dbraw/zinc/75/12/64/1296751264.db2.gz YYZMIZGWGVUTOU-AZUAARDMSA-N 2 0 338.499 3.161 20 0 EGADRP CC1(C)CCc2onc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2C1 ZINC000872144064 1296765569 /nfs/dbraw/zinc/76/55/69/1296765569.db2.gz BDJYVEHRLTUGPP-INIZCTEOSA-N 2 0 331.504 3.401 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000305160702 1296989587 /nfs/dbraw/zinc/98/95/87/1296989587.db2.gz RIJFJADQJOIAFK-RTWAWAEBSA-N 2 0 346.515 3.333 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000305160700 1296989683 /nfs/dbraw/zinc/98/96/83/1296989683.db2.gz RIJFJADQJOIAFK-NHCUHLMSSA-N 2 0 346.515 3.333 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2CCC3(CCC3)C2=O)CC1)CC1CC1 ZINC000872594972 1297021468 /nfs/dbraw/zinc/02/14/68/1297021468.db2.gz CKYNCCIKDGTFIS-UHFFFAOYSA-N 2 0 347.547 3.181 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000320093265 1297161978 /nfs/dbraw/zinc/16/19/78/1297161978.db2.gz DJOJCXNMUUQNJR-UHFFFAOYSA-N 2 0 336.329 3.249 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)C[NH2+]CC2 ZINC000327264504 1297246804 /nfs/dbraw/zinc/24/68/04/1297246804.db2.gz WHLRHDCICJWKTI-UHFFFAOYSA-N 2 0 335.451 3.180 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](C)C[C@H]2n2cncn2)CC1 ZINC000340464381 1297313726 /nfs/dbraw/zinc/31/37/26/1297313726.db2.gz OLCWHMVSMZDPPO-IPMKNSEASA-N 2 0 333.524 3.110 20 0 EGADRP C[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cccc(-n2cccn2)c1 ZINC000873211239 1297356199 /nfs/dbraw/zinc/35/61/99/1297356199.db2.gz LEPHGYDKIRKXFD-CQSZACIVSA-N 2 0 338.480 3.430 20 0 EGADRP c1cn(-c2csc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)c2)cn1 ZINC000873232555 1297374388 /nfs/dbraw/zinc/37/43/88/1297374388.db2.gz GQPGRZARIVJDFZ-QGZVFWFLSA-N 2 0 330.501 3.336 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873232829 1297374697 /nfs/dbraw/zinc/37/46/97/1297374697.db2.gz NXRXVYRTTLXYLU-GOSISDBHSA-N 2 0 330.520 3.328 20 0 EGADRP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC000873243209 1297384328 /nfs/dbraw/zinc/38/43/28/1297384328.db2.gz JQWXNOHEEUAFJP-DLBZAZTESA-N 2 0 327.476 3.030 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000873250287 1297391011 /nfs/dbraw/zinc/39/10/11/1297391011.db2.gz OSZSBTHZNZJQPD-UAKXVISKSA-N 2 0 327.241 3.366 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000873259705 1297395031 /nfs/dbraw/zinc/39/50/31/1297395031.db2.gz JYNLISSEUNPJLZ-LVQVYYBASA-N 2 0 349.906 3.486 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCS2 ZINC000873288837 1297411241 /nfs/dbraw/zinc/41/12/41/1297411241.db2.gz BQIJEHCIHWFHBT-HOCLYGCPSA-N 2 0 336.476 3.111 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000873292892 1297414003 /nfs/dbraw/zinc/41/40/03/1297414003.db2.gz WEUHWOSTNQWUJS-HIFRSBDPSA-N 2 0 338.492 3.357 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873294153 1297415549 /nfs/dbraw/zinc/41/55/49/1297415549.db2.gz UAUSVXSHBYJPTF-UXHICEINSA-N 2 0 328.500 3.064 20 0 EGADRP C[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000382023008 1297557480 /nfs/dbraw/zinc/55/74/80/1297557480.db2.gz YTRWQTBRLKCQIA-HNNXBMFYSA-N 2 0 327.513 3.001 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000389881246 1297618736 /nfs/dbraw/zinc/61/87/36/1297618736.db2.gz ZIXNVQKSGFGXRA-GHTZIAJQSA-N 2 0 329.532 3.217 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000396456551 1297688705 /nfs/dbraw/zinc/68/87/05/1297688705.db2.gz NDSLLMRHLNUIOB-GOSISDBHSA-N 2 0 329.532 3.013 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399077357 1297724142 /nfs/dbraw/zinc/72/41/42/1297724142.db2.gz OKOAPFZUKYHZOT-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP CCCCN(C(=O)C1CC[NH+](C)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000462010276 1297918661 /nfs/dbraw/zinc/91/86/61/1297918661.db2.gz SUQJTUFXTYRCCZ-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000693912851 1298153174 /nfs/dbraw/zinc/15/31/74/1298153174.db2.gz SHKFZBPIECOPHD-CJNGLKHVSA-N 2 0 325.294 3.454 20 0 EGADRP C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1)C1CC[NH+](C)CC1 ZINC000699594516 1298171223 /nfs/dbraw/zinc/17/12/23/1298171223.db2.gz BARDNHOFGVACNP-OAHLLOKOSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000708588443 1298242015 /nfs/dbraw/zinc/24/20/15/1298242015.db2.gz UMDGXZZFRQJCPT-YLJYHZDGSA-N 2 0 334.467 3.192 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000723701402 1298341547 /nfs/dbraw/zinc/34/15/47/1298341547.db2.gz BGQZTEHHNIJUTB-LBPRGKRZSA-N 2 0 334.261 3.168 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724031148 1298344702 /nfs/dbraw/zinc/34/47/02/1298344702.db2.gz WVUIJMZKRCPCKZ-SJORKVTESA-N 2 0 339.524 3.001 20 0 EGADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000876538231 1298814487 /nfs/dbraw/zinc/81/44/87/1298814487.db2.gz NTMUKRYFQUFRQV-NSHDSACASA-N 2 0 344.484 3.191 20 0 EGADRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2cc(F)ccc2F)n1 ZINC000876689812 1298921941 /nfs/dbraw/zinc/92/19/41/1298921941.db2.gz BTINOUKTIDHWPQ-UHFFFAOYSA-N 2 0 348.441 3.139 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876941562 1299078330 /nfs/dbraw/zinc/07/83/30/1299078330.db2.gz NSRRNDFBAGWMKH-TWPWWVQHSA-N 2 0 347.547 3.045 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1)C1CCCC1 ZINC000877451367 1299311213 /nfs/dbraw/zinc/31/12/13/1299311213.db2.gz KGHVEMXPTBGXGU-MGPUTAFESA-N 2 0 341.499 3.050 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000877685142 1299477553 /nfs/dbraw/zinc/47/75/53/1299477553.db2.gz NIFWYGGBLGPDJG-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP Cc1cc(-c2nnc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)o2)c(C)o1 ZINC000879247516 1300451843 /nfs/dbraw/zinc/45/18/43/1300451843.db2.gz CJSBASQJNHDLII-UHFFFAOYSA-N 2 0 344.459 3.254 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](CCC(=O)Nc1ccccc1Cl)CC2 ZINC000879248393 1300452851 /nfs/dbraw/zinc/45/28/51/1300452851.db2.gz MFOJWTAJEOCLSO-UHFFFAOYSA-N 2 0 349.906 3.476 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000879590809 1300617825 /nfs/dbraw/zinc/61/78/25/1300617825.db2.gz FIUDGPNBOKIOTF-UHFFFAOYSA-N 2 0 349.522 3.488 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(F)cc1F ZINC000880516839 1301143827 /nfs/dbraw/zinc/14/38/27/1301143827.db2.gz ACDSSGSEDJFMMR-GOSISDBHSA-N 2 0 326.431 3.196 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCCC1 ZINC000765257208 1302231635 /nfs/dbraw/zinc/23/16/35/1302231635.db2.gz XWIGEISEIQBETQ-QZTJIDSGSA-N 2 0 333.520 3.152 20 0 EGADRP COC[C@@H](Cc1ccccc1)[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000883387136 1302425961 /nfs/dbraw/zinc/42/59/61/1302425961.db2.gz SCLUKZABQUXNLD-RTWAWAEBSA-N 2 0 335.451 3.472 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@H](Cn2ccnc2)c2ccccc2)CCO1 ZINC000883387803 1302426058 /nfs/dbraw/zinc/42/60/58/1302426058.db2.gz FIECHEPXJOTDHY-XHSDSOJGSA-N 2 0 339.361 3.324 20 0 EGADRP C[C@@H](C(=O)OCC[N@H+](C)Cc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000769110103 1303049394 /nfs/dbraw/zinc/04/93/94/1303049394.db2.gz VZSBCUIEVLVSRT-OAGGEKHMSA-N 2 0 336.451 3.062 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc(Cl)c4ccccc43)C2)CC1 ZINC000769651053 1303153162 /nfs/dbraw/zinc/15/31/62/1303153162.db2.gz AIRGWDLXWIXFOT-OAHLLOKOSA-N 2 0 332.879 3.311 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000886060125 1303341288 /nfs/dbraw/zinc/34/12/88/1303341288.db2.gz VBFWNNSMNMYVTI-CIRMQIMFSA-N 2 0 340.442 3.195 20 0 EGADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000886160633 1303380511 /nfs/dbraw/zinc/38/05/11/1303380511.db2.gz YSOLYIHADQQVRX-VQTJNVASSA-N 2 0 331.504 3.231 20 0 EGADRP Cc1cc(N2CCC([NH2+]C3CCC(C)([NH+]4CCCC4)CC3)CC2)n[nH]1 ZINC000886596293 1303517474 /nfs/dbraw/zinc/51/74/74/1303517474.db2.gz BASFUMRCBUZXOH-UHFFFAOYSA-N 2 0 345.535 3.074 20 0 EGADRP C[C@H](COCc1ccccc1)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000886839401 1303617626 /nfs/dbraw/zinc/61/76/26/1303617626.db2.gz DITRWMBNQDWLIL-WMQCIHAUSA-N 2 0 346.515 3.058 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775414994 1303960842 /nfs/dbraw/zinc/96/08/42/1303960842.db2.gz POCNMCVMJZHYLF-WCXIOVBPSA-N 2 0 328.591 3.324 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(CF)cc3)CC2)CC1 ZINC000777622953 1304326581 /nfs/dbraw/zinc/32/65/81/1304326581.db2.gz RHCUJXVWVMINOC-UHFFFAOYSA-N 2 0 333.495 3.147 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000779385646 1304564398 /nfs/dbraw/zinc/56/43/98/1304564398.db2.gz SOPOZCGTTKNOOJ-QWHCGFSZSA-N 2 0 346.462 3.252 20 0 EGADRP c1ccc2c(c1)CC[C@@H]2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000780291890 1304672930 /nfs/dbraw/zinc/67/29/30/1304672930.db2.gz CSYMYNBGFYBLPX-LJQANCHMSA-N 2 0 328.500 3.293 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000781198694 1304788362 /nfs/dbraw/zinc/78/83/62/1304788362.db2.gz DHRRGQWGBNRIMB-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOC4CCC4)[C@@H]3C2)cc1 ZINC000781420791 1304825073 /nfs/dbraw/zinc/82/50/73/1304825073.db2.gz FFGLESAUTFIVRE-CEWLAPEOSA-N 2 0 328.500 3.446 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782761884 1305010190 /nfs/dbraw/zinc/01/01/90/1305010190.db2.gz AMNZFZYYAGPKGL-WOJBJXKFSA-N 2 0 334.504 3.101 20 0 EGADRP C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000783234767 1305068296 /nfs/dbraw/zinc/06/82/96/1305068296.db2.gz SSUGVNANLJGZKX-OXQOHEQNSA-N 2 0 332.488 3.064 20 0 EGADRP Cn1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1C1CC1 ZINC000891611681 1305109886 /nfs/dbraw/zinc/10/98/86/1305109886.db2.gz UKLNECHFVDCZHF-UHFFFAOYSA-N 2 0 330.520 3.386 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892143473 1305266650 /nfs/dbraw/zinc/26/66/50/1305266650.db2.gz IMRXTMSXUFYJRK-SFHVURJKSA-N 2 0 336.524 3.014 20 0 EGADRP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160205 1305272509 /nfs/dbraw/zinc/27/25/09/1305272509.db2.gz VPWQTDAWWOSIQM-NRFANRHFSA-N 3 0 329.532 3.172 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000893226434 1305771466 /nfs/dbraw/zinc/77/14/66/1305771466.db2.gz RDONGAISKSOTPG-MJGOQNOKSA-N 2 0 339.483 3.481 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC000893326159 1305831003 /nfs/dbraw/zinc/83/10/03/1305831003.db2.gz BVECEJOCOQJBQN-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[N@H+](CCc1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC000788482921 1305953698 /nfs/dbraw/zinc/95/36/98/1305953698.db2.gz PQSDOAUIPFYVLV-UHFFFAOYSA-N 2 0 325.294 3.265 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000893640229 1306000230 /nfs/dbraw/zinc/00/02/30/1306000230.db2.gz LSLSGPWSBRPUGR-UHFFFAOYSA-N 2 0 336.277 3.362 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000790747809 1308858847 /nfs/dbraw/zinc/85/88/47/1308858847.db2.gz GSAYVBVYICFFSE-GJZGRUSLSA-N 2 0 346.462 3.065 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000894694684 1309024205 /nfs/dbraw/zinc/02/42/05/1309024205.db2.gz MGQJVGKTLXAJMX-INIZCTEOSA-N 2 0 330.394 3.060 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC000894847665 1309098567 /nfs/dbraw/zinc/09/85/67/1309098567.db2.gz DOAFMSAXMCYQFU-HNNXBMFYSA-N 2 0 334.426 3.009 20 0 EGADRP CN(c1ccccc1C[NH+]1CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000793362903 1309352714 /nfs/dbraw/zinc/35/27/14/1309352714.db2.gz XWFDSDHXMNPGTE-UHFFFAOYSA-N 2 0 337.458 3.448 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795903958 1309857765 /nfs/dbraw/zinc/85/77/65/1309857765.db2.gz ROKPYAUKZDWUGG-CALCHBBNSA-N 2 0 338.536 3.266 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796342656 1309972004 /nfs/dbraw/zinc/97/20/04/1309972004.db2.gz WOASJKYHIICAMF-UHFFFAOYSA-N 2 0 341.286 3.463 20 0 EGADRP Cc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC000797603007 1310219372 /nfs/dbraw/zinc/21/93/72/1310219372.db2.gz YLEMPHDMRSVNAB-UHFFFAOYSA-N 2 0 330.863 3.445 20 0 EGADRP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898386849 1310702256 /nfs/dbraw/zinc/70/22/56/1310702256.db2.gz JDRNAXWIXLROCM-JCXROGDPSA-N 2 0 336.479 3.145 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](CCc2ccccc2)C2CC2)CC1 ZINC000800334614 1310737693 /nfs/dbraw/zinc/73/76/93/1310737693.db2.gz OJLJDEVVNDEPJF-UHFFFAOYSA-N 2 0 329.532 3.110 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]CC[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000839181000 1320888090 /nfs/dbraw/zinc/88/80/90/1320888090.db2.gz FZQYFGZNBDVRAB-SFHVURJKSA-N 2 0 344.547 3.043 20 0 EGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857281347 1328525923 /nfs/dbraw/zinc/52/59/23/1328525923.db2.gz YFWPRTBNGPDWAT-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001018967481 1316988133 /nfs/dbraw/zinc/98/81/33/1316988133.db2.gz DYQQGWIYXMHGJW-ICSRJNTNSA-N 2 0 345.531 3.084 20 0 EGADRP O=C(N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001019088389 1317038824 /nfs/dbraw/zinc/03/88/24/1317038824.db2.gz SECBJWHAAINMFL-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1C[NH+](CCC2CCCC2)C1 ZINC000957077295 1317174612 /nfs/dbraw/zinc/17/46/12/1317174612.db2.gz VGAYYGVNGQAJFQ-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000957279651 1317257442 /nfs/dbraw/zinc/25/74/42/1317257442.db2.gz ZFXCXKZBLXKRTH-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001019466061 1317261851 /nfs/dbraw/zinc/26/18/51/1317261851.db2.gz PJRTWHZZXSDWHC-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019468007 1317263039 /nfs/dbraw/zinc/26/30/39/1317263039.db2.gz BGUOYPUNJVQFHT-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000957325513 1317286341 /nfs/dbraw/zinc/28/63/41/1317286341.db2.gz OHAOZKLDJBHXHK-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764081 1317420343 /nfs/dbraw/zinc/42/03/43/1317420343.db2.gz VJZSGHGVZFMYAF-IRXDYDNUSA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568305 1317465855 /nfs/dbraw/zinc/46/58/55/1317465855.db2.gz HJDXESPKZYZOPK-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633340 1317508189 /nfs/dbraw/zinc/50/81/89/1317508189.db2.gz BBLGIXCBBHUNBV-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1)C(C)C ZINC000957720539 1317588811 /nfs/dbraw/zinc/58/88/11/1317588811.db2.gz QRAKMVFQXKCWKC-IBGZPJMESA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957773882 1317636850 /nfs/dbraw/zinc/63/68/50/1317636850.db2.gz XNRNXZSVPHACGB-FQEVSTJZSA-N 2 0 343.515 3.158 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2CC(C)(C)CC2=O)CC1)CC1CC1 ZINC000808175399 1317638821 /nfs/dbraw/zinc/63/88/21/1317638821.db2.gz PYCJDLZPYHBLLR-UHFFFAOYSA-N 2 0 335.536 3.036 20 0 EGADRP O=C1CCCN1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903059018 1317643738 /nfs/dbraw/zinc/64/37/38/1317643738.db2.gz LXPFIMUCUSDNMP-XGSMCBPESA-N 2 0 339.483 3.061 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903072540 1317647818 /nfs/dbraw/zinc/64/78/18/1317647818.db2.gz KHSAADXHVHYACD-MHVNKQBJSA-N 3 0 333.564 3.492 20 0 EGADRP CC(C)(C)OC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903090901 1317650735 /nfs/dbraw/zinc/65/07/35/1317650735.db2.gz IWYWBMYPPCVREY-ZNXRZULTSA-N 2 0 349.519 3.133 20 0 EGADRP Cn1cnc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000808377390 1317668747 /nfs/dbraw/zinc/66/87/47/1317668747.db2.gz UZUSZHNUOOSDNQ-UHFFFAOYSA-N 2 0 334.467 3.439 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C3)cc1 ZINC000903264933 1317682385 /nfs/dbraw/zinc/68/23/85/1317682385.db2.gz KEBQJGCZIHNARG-ADAARDCZSA-N 2 0 326.484 3.339 20 0 EGADRP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903739764 1317728535 /nfs/dbraw/zinc/72/85/35/1317728535.db2.gz OYQUGCYXCXFSNT-GJZGRUSLSA-N 2 0 337.533 3.165 20 0 EGADRP CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778186 1317731670 /nfs/dbraw/zinc/73/16/70/1317731670.db2.gz KEXMDDHYZBSPLS-SYNHAJSKSA-N 2 0 332.463 3.162 20 0 EGADRP COc1ccc([C@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000903879058 1317740456 /nfs/dbraw/zinc/74/04/56/1317740456.db2.gz QZLGTBBYBRZRAQ-NXCDMZCRSA-N 2 0 330.472 3.371 20 0 EGADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000903900110 1317745062 /nfs/dbraw/zinc/74/50/62/1317745062.db2.gz YPUMZZHCMANDDM-MSOLQXFVSA-N 2 0 331.508 3.137 20 0 EGADRP C[NH+](C)CCOc1ccccc1-c1noc(C[N@H+](C)CC(C)(C)C)n1 ZINC000904005333 1317766260 /nfs/dbraw/zinc/76/62/60/1317766260.db2.gz ZAONSDCZTYSVFN-UHFFFAOYSA-N 2 0 346.475 3.155 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001020591429 1317791706 /nfs/dbraw/zinc/79/17/06/1317791706.db2.gz NLBHFYHOQCJSRY-IYARVYRRSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001020591956 1317792231 /nfs/dbraw/zinc/79/22/31/1317792231.db2.gz XJNKYZIUTJVJKL-BZSNNMDCSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@]1(CN2CCC[N@H+](CCCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904302567 1317827140 /nfs/dbraw/zinc/82/71/40/1317827140.db2.gz YBDFFMGKDFEAOG-NRFANRHFSA-N 2 0 329.532 3.017 20 0 EGADRP [NH3+]CC1CC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000904365859 1317838073 /nfs/dbraw/zinc/83/80/73/1317838073.db2.gz AOTSTRASEJLDKW-UHFFFAOYSA-N 2 0 342.314 3.285 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904404602 1317841962 /nfs/dbraw/zinc/84/19/62/1317841962.db2.gz ADNVVSALJDGIGU-QGZVFWFLSA-N 2 0 346.906 3.372 20 0 EGADRP C[C@@H]1C[C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CC[NH2+]1 ZINC000904526426 1317857178 /nfs/dbraw/zinc/85/71/78/1317857178.db2.gz CLRPDHYECWGMEJ-RHSMWYFYSA-N 2 0 326.444 3.188 20 0 EGADRP CC(C)([NH3+])c1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000904602098 1317867380 /nfs/dbraw/zinc/86/73/80/1317867380.db2.gz KXECDQYTNPTMQB-DLBZAZTESA-N 2 0 330.476 3.019 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904665979 1317879300 /nfs/dbraw/zinc/87/93/00/1317879300.db2.gz QCQVDJQBGDQOOV-UHFFFAOYSA-N 2 0 332.492 3.121 20 0 EGADRP Cc1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000905095267 1317923299 /nfs/dbraw/zinc/92/32/99/1317923299.db2.gz DCQKWNSPQGCOGA-IRLDBZIGSA-N 2 0 338.495 3.183 20 0 EGADRP CSC1(C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)CC[NH+](C)CC1 ZINC000810170250 1317967694 /nfs/dbraw/zinc/96/76/94/1317967694.db2.gz JELTWKQMDIHTAU-UHFFFAOYSA-N 2 0 344.956 3.114 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001020866015 1317975774 /nfs/dbraw/zinc/97/57/74/1317975774.db2.gz UVQBQYHAWPINCX-MXVIHJGJSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000906927717 1318164496 /nfs/dbraw/zinc/16/44/96/1318164496.db2.gz GHAVVGLEIGSERC-LMDPOFIKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)C1 ZINC001021380786 1318223864 /nfs/dbraw/zinc/22/38/64/1318223864.db2.gz VQAQVRGDVSINKT-OHSMVPPVSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)C1 ZINC001021438253 1318250241 /nfs/dbraw/zinc/25/02/41/1318250241.db2.gz RHJVNOBTDNWUES-UMQXSMKFSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960007329 1318310218 /nfs/dbraw/zinc/31/02/18/1318310218.db2.gz NUMOUYIFRCEUSG-ROUUACIJSA-N 2 0 349.544 3.092 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC000960032786 1318320390 /nfs/dbraw/zinc/32/03/90/1318320390.db2.gz GWBMOQIUYXTAJX-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC000960129643 1318371384 /nfs/dbraw/zinc/37/13/84/1318371384.db2.gz DEJQJDOXZSEWPX-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000960132660 1318373179 /nfs/dbraw/zinc/37/31/79/1318373179.db2.gz XFMUNOJLYBYNPB-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C)c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC2CC2)c(C)n1 ZINC000960286588 1318445607 /nfs/dbraw/zinc/44/56/07/1318445607.db2.gz BSUAHFCSKYTRAP-TZIWHRDSSA-N 2 0 349.478 3.402 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC ZINC000960324170 1318461210 /nfs/dbraw/zinc/46/12/10/1318461210.db2.gz LIFFHYANTZSRAU-HSALFYBXSA-N 2 0 343.515 3.033 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666564 1318529451 /nfs/dbraw/zinc/52/94/51/1318529451.db2.gz VNTFBVNNLUDWKZ-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021703932 1318575583 /nfs/dbraw/zinc/57/55/83/1318575583.db2.gz CXAGATXGOBSYAH-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021742118 1318653915 /nfs/dbraw/zinc/65/39/15/1318653915.db2.gz JWTVBIGZAVHPCM-PMACEKPBSA-N 2 0 343.515 3.083 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2=CCCCC2)CC[N@@H+]1C ZINC000960641777 1318761016 /nfs/dbraw/zinc/76/10/16/1318761016.db2.gz GHDQKQCHDDOJTI-SLFFLAALSA-N 2 0 347.547 3.140 20 0 EGADRP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)C12CCC[NH+](CCC1)C2 ZINC000911926643 1318778977 /nfs/dbraw/zinc/77/89/77/1318778977.db2.gz WULVVWINOYMTFN-UHFFFAOYSA-N 2 0 336.439 3.062 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960679787 1318789436 /nfs/dbraw/zinc/78/94/36/1318789436.db2.gz FZBORUMNNDIWQF-MSOLQXFVSA-N 2 0 349.544 3.045 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)c1ccccc1 ZINC001022106461 1318797069 /nfs/dbraw/zinc/79/70/69/1318797069.db2.gz JDQCRWNJUIVDTG-LJDSDSDDSA-N 2 0 343.515 3.105 20 0 EGADRP Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001022341257 1318901077 /nfs/dbraw/zinc/90/10/77/1318901077.db2.gz WMPOGFKNXMPHMT-HDICACEKSA-N 2 0 348.450 3.002 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960811561 1318928422 /nfs/dbraw/zinc/92/84/22/1318928422.db2.gz BVYVCOBHNUHTDU-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001022535415 1318979426 /nfs/dbraw/zinc/97/94/26/1318979426.db2.gz IVPZPJDEIHVTOO-MKXGPGLRSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)n1ccnc1 ZINC000960905029 1319046279 /nfs/dbraw/zinc/04/62/79/1319046279.db2.gz UUJNNUMVEAMIHE-SJLPKXTDSA-N 2 0 346.519 3.193 20 0 EGADRP CC(C)c1nccn1CCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960911925 1319057827 /nfs/dbraw/zinc/05/78/27/1319057827.db2.gz AKCFKQBQSOEOBP-SFHVURJKSA-N 2 0 346.519 3.120 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)CC1 ZINC000960957137 1319086509 /nfs/dbraw/zinc/08/65/09/1319086509.db2.gz GDEFGSSMVKKHPQ-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001022885759 1319150075 /nfs/dbraw/zinc/15/00/75/1319150075.db2.gz NZVXOLFAHQMZCW-QRVBRYPASA-N 2 0 343.515 3.025 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC001022886835 1319150170 /nfs/dbraw/zinc/15/01/70/1319150170.db2.gz OGOUNEVOXUOCGY-HSALFYBXSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961157793 1319279807 /nfs/dbraw/zinc/27/98/07/1319279807.db2.gz OEZJLTLSGRZUHZ-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(CF)cc3)CC2)CC1 ZINC000817284989 1319315590 /nfs/dbraw/zinc/31/55/90/1319315590.db2.gz CUANHBFTHIBPGM-UHFFFAOYSA-N 2 0 333.495 3.148 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000817865687 1319449004 /nfs/dbraw/zinc/44/90/04/1319449004.db2.gz XEFGOVKGSVYMPV-VYDXJSESSA-N 2 0 348.487 3.206 20 0 EGADRP Clc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000817892912 1319452861 /nfs/dbraw/zinc/45/28/61/1319452861.db2.gz WULPNEFACCLVLN-CRAIPNDOSA-N 2 0 329.831 3.081 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817893508 1319453082 /nfs/dbraw/zinc/45/30/82/1319453082.db2.gz GDQHDUFATJOEJU-PLACYPQZSA-N 2 0 346.515 3.408 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(C)C ZINC000817901214 1319455182 /nfs/dbraw/zinc/45/51/82/1319455182.db2.gz UHEURFHRDQMSKQ-AWEZNQCLSA-N 2 0 343.471 3.495 20 0 EGADRP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000817917097 1319460587 /nfs/dbraw/zinc/46/05/87/1319460587.db2.gz KPGGYODWZBMHCE-UAFMIMERSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000817923190 1319461377 /nfs/dbraw/zinc/46/13/77/1319461377.db2.gz TZDCJWDNXXSKDE-OKYOBFRVSA-N 2 0 336.907 3.448 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922391 1319461644 /nfs/dbraw/zinc/46/16/44/1319461644.db2.gz DQAKYIDDCZCGKI-MPWLDHFDSA-N 2 0 338.495 3.365 20 0 EGADRP OC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000817922842 1319461868 /nfs/dbraw/zinc/46/18/68/1319461868.db2.gz MXQRHWBQIUKLDX-COPLXBQBSA-N 2 0 328.500 3.327 20 0 EGADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817943771 1319471993 /nfs/dbraw/zinc/47/19/93/1319471993.db2.gz SNZIAADRZWJVKU-KRWDZBQOSA-N 3 0 333.520 3.331 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)ncc1F ZINC000817960201 1319477842 /nfs/dbraw/zinc/47/78/42/1319477842.db2.gz LMUFIZLUJNJJJS-CWSCBRNRSA-N 2 0 330.245 3.151 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)ncc1F ZINC000817975347 1319482254 /nfs/dbraw/zinc/48/22/54/1319482254.db2.gz LHNBMKBZOFGFFP-IJLUTSLNSA-N 2 0 344.272 3.399 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414261 1319518646 /nfs/dbraw/zinc/51/86/46/1319518646.db2.gz PAIGJXDMBZHGGO-ICSRJNTNSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+](C(C)C)C3)CC2)CC[N@@H+]1C ZINC000961365944 1319521829 /nfs/dbraw/zinc/52/18/29/1319521829.db2.gz GMQBFKHYTCDHPK-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961366544 1319521854 /nfs/dbraw/zinc/52/18/54/1319521854.db2.gz IPOUEKGSWJOHPX-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961373348 1319530231 /nfs/dbraw/zinc/53/02/31/1319530231.db2.gz GVLGSFDZROVMTH-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccc2c(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc(=O)oc2c1C ZINC000818341216 1319531200 /nfs/dbraw/zinc/53/12/00/1319531200.db2.gz WYQMTGLLOIZLFK-OAHLLOKOSA-N 2 0 340.467 3.374 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961397720 1319554032 /nfs/dbraw/zinc/55/40/32/1319554032.db2.gz VRGJGIZEMAFXNL-IHPCNDPISA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818960401 1319590038 /nfs/dbraw/zinc/59/00/38/1319590038.db2.gz YXZKHNBBQDAJLK-RHSMWYFYSA-N 2 0 326.431 3.100 20 0 EGADRP CC[C@@H](CN1CCCC1)[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819077603 1319628393 /nfs/dbraw/zinc/62/83/93/1319628393.db2.gz BLGUPRJJLCDDCR-BBRMVZONSA-N 2 0 331.287 3.491 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)C(C)(C)C ZINC000819080830 1319631002 /nfs/dbraw/zinc/63/10/02/1319631002.db2.gz IYRUTNQRSBQJMR-HOTGVXAUSA-N 2 0 330.875 3.469 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCC3)C2)C1 ZINC001023548137 1319658015 /nfs/dbraw/zinc/65/80/15/1319658015.db2.gz BNMCBZNXSLBWLU-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000819220513 1319672646 /nfs/dbraw/zinc/67/26/46/1319672646.db2.gz PGTQNSIGTCXQPO-BZNIZROVSA-N 2 0 329.271 3.267 20 0 EGADRP CC(C)(C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000819259604 1319682265 /nfs/dbraw/zinc/68/22/65/1319682265.db2.gz KNDVWOXQXFHOIX-INIZCTEOSA-N 2 0 344.421 3.450 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC001023695443 1319820646 /nfs/dbraw/zinc/82/06/46/1319820646.db2.gz BASULCWULZYDBP-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001023749965 1319895303 /nfs/dbraw/zinc/89/53/03/1319895303.db2.gz DLRQTPDUDIFVCO-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000917998397 1319902379 /nfs/dbraw/zinc/90/23/79/1319902379.db2.gz KJOPXILWCBMBSZ-OAHLLOKOSA-N 2 0 340.496 3.494 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000820806730 1319955711 /nfs/dbraw/zinc/95/57/11/1319955711.db2.gz PRSGKGHYFGKPJV-CQSZACIVSA-N 2 0 326.444 3.090 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCCC2)CC1(C)C ZINC000821982181 1320044892 /nfs/dbraw/zinc/04/48/92/1320044892.db2.gz HVMJJRPCFPCUTL-INIZCTEOSA-N 2 0 339.524 3.240 20 0 EGADRP CCN1CCC[C@@H]1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823579123 1320188288 /nfs/dbraw/zinc/18/82/88/1320188288.db2.gz MRBRCJJSRUCRBB-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP CN(C)c1ncc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC000930602320 1328910931 /nfs/dbraw/zinc/91/09/31/1328910931.db2.gz PVXNUAMVOLQNGZ-NRFANRHFSA-N 2 0 338.499 3.219 20 0 EGADRP Cc1cccc(OCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000838894434 1320830738 /nfs/dbraw/zinc/83/07/38/1320830738.db2.gz FZFGHBVTWAKNIC-UHFFFAOYSA-N 2 0 325.456 3.418 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000840810036 1321154283 /nfs/dbraw/zinc/15/42/83/1321154283.db2.gz NPYGCSBTQUTERW-SJORKVTESA-N 2 0 345.487 3.416 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000841081993 1321215185 /nfs/dbraw/zinc/21/51/85/1321215185.db2.gz GNYVEVKGIUIYOZ-VGWMRTNUSA-N 2 0 346.462 3.098 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000859212951 1328947353 /nfs/dbraw/zinc/94/73/53/1328947353.db2.gz CYPSLNPCWBNRFN-LJQANCHMSA-N 2 0 334.410 3.192 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC(=O)OCc2ccccc2)cc1 ZINC000859213556 1328948217 /nfs/dbraw/zinc/94/82/17/1328948217.db2.gz XFYALGDRBDXROT-UHFFFAOYSA-N 2 0 340.467 3.314 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1 ZINC000842667184 1321415237 /nfs/dbraw/zinc/41/52/37/1321415237.db2.gz ISNAWQUCUIFNKE-KRWDZBQOSA-N 2 0 328.460 3.436 20 0 EGADRP [NH3+]CCCCCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000843039875 1321460130 /nfs/dbraw/zinc/46/01/30/1321460130.db2.gz WCXWLUISCROQBI-UHFFFAOYSA-N 2 0 346.519 3.356 20 0 EGADRP C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1CCC([NH3+])CC1 ZINC000843056075 1321462986 /nfs/dbraw/zinc/46/29/86/1321462986.db2.gz XPDRHODTVDISKL-UHFFFAOYSA-N 2 0 332.879 3.287 20 0 EGADRP CCCCn1nc(C)c(C[NH+]2CCC(CC[NH2+]C)CC2)c1Cl ZINC000843057765 1321463799 /nfs/dbraw/zinc/46/37/99/1321463799.db2.gz UNLXZRFKQAQLNS-UHFFFAOYSA-N 2 0 326.916 3.467 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843112649 1321472695 /nfs/dbraw/zinc/47/26/95/1321472695.db2.gz KMQYCPNRSGTXKC-KRWDZBQOSA-N 2 0 346.906 3.454 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CC[NH2+]CC4)no3)C2)c1 ZINC000843138218 1321475815 /nfs/dbraw/zinc/47/58/15/1321475815.db2.gz PNORIUVGEBSXRZ-INIZCTEOSA-N 2 0 344.434 3.055 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000843342001 1321502131 /nfs/dbraw/zinc/50/21/31/1321502131.db2.gz MNONOZKNHSRNCI-CQSZACIVSA-N 2 0 325.294 3.415 20 0 EGADRP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843342885 1321502489 /nfs/dbraw/zinc/50/24/89/1321502489.db2.gz RFAUGMHVIWOSSJ-VHRBIJSZSA-N 2 0 327.241 3.066 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000843363545 1321507023 /nfs/dbraw/zinc/50/70/23/1321507023.db2.gz UYIKWKZNXISBJZ-UHFFFAOYSA-N 2 0 328.456 3.231 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1C ZINC000843385864 1321509595 /nfs/dbraw/zinc/50/95/95/1321509595.db2.gz ZCGZEBDUHXJUJQ-QGZVFWFLSA-N 2 0 340.467 3.231 20 0 EGADRP COc1cccc([C@H](C)N2CC[NH+](CCCCCCC[NH3+])CC2)c1 ZINC000844222187 1321580156 /nfs/dbraw/zinc/58/01/56/1321580156.db2.gz ZKBYUZUDSXMVSQ-SFHVURJKSA-N 2 0 333.520 3.283 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844904139 1321656225 /nfs/dbraw/zinc/65/62/25/1321656225.db2.gz ZVXMASKNAUJEIB-UHFFFAOYSA-N 2 0 346.906 3.420 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845926782 1321754972 /nfs/dbraw/zinc/75/49/72/1321754972.db2.gz RGVMTHZUECHTPK-AQFXKWCLSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000846225046 1321777785 /nfs/dbraw/zinc/77/77/85/1321777785.db2.gz FQJPUBKLNBUQEQ-HNNXBMFYSA-N 2 0 325.456 3.228 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000848894843 1322034754 /nfs/dbraw/zinc/03/47/54/1322034754.db2.gz PQTNFFGBUGIRHN-BLIJAFNYSA-N 2 0 334.460 3.210 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000849056010 1322060505 /nfs/dbraw/zinc/06/05/05/1322060505.db2.gz QSNNTFXVVPJPRX-HXUWFJFHSA-N 2 0 336.483 3.446 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC[NH+]2CCCCC2)c1 ZINC000849055580 1322060894 /nfs/dbraw/zinc/06/08/94/1322060894.db2.gz MMEPFUGFLVUPIG-UHFFFAOYSA-N 2 0 348.491 3.296 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)CC1 ZINC000849058809 1322061606 /nfs/dbraw/zinc/06/16/06/1322061606.db2.gz UZOCVCUYYUNYRL-UHFFFAOYSA-N 2 0 328.504 3.429 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2ccccc2)o1 ZINC000849070120 1322066171 /nfs/dbraw/zinc/06/61/71/1322066171.db2.gz HLTINDXAAIKDNF-INIZCTEOSA-N 2 0 326.444 3.045 20 0 EGADRP C[C@@H](NC(=[NH2+])NC[C@H](C)C[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000849102778 1322079571 /nfs/dbraw/zinc/07/95/71/1322079571.db2.gz UOOJBIRILIEQRO-WDEREUQCSA-N 2 0 331.291 3.366 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849101748 1322079589 /nfs/dbraw/zinc/07/95/89/1322079589.db2.gz KGNQHUGUPMOZHG-HNNXBMFYSA-N 2 0 342.409 3.194 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849107713 1322081266 /nfs/dbraw/zinc/08/12/66/1322081266.db2.gz MNHFVIRVTXSFHQ-QAPCUYQASA-N 2 0 334.508 3.493 20 0 EGADRP Cc1csc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000849114772 1322083927 /nfs/dbraw/zinc/08/39/27/1322083927.db2.gz SYAQMZHFLQSSDN-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850423317 1322245196 /nfs/dbraw/zinc/24/51/96/1322245196.db2.gz TVPNNEUQYPMVBO-GOSISDBHSA-N 2 0 345.531 3.080 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850423318 1322245731 /nfs/dbraw/zinc/24/57/31/1322245731.db2.gz TVPNNEUQYPMVBO-SFHVURJKSA-N 2 0 345.531 3.080 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCC[NH+](C(C)C)C(C)C)CC1 ZINC000850439539 1322249428 /nfs/dbraw/zinc/24/94/28/1322249428.db2.gz PPZXSXUNESIFCE-UHFFFAOYSA-N 2 0 327.513 3.142 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)cc1C[NH+]1CCCCC1 ZINC000850517592 1322260955 /nfs/dbraw/zinc/26/09/55/1322260955.db2.gz XKZPHSJJJOUSBU-DLBZAZTESA-N 2 0 346.515 3.493 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C2 ZINC000922386093 1322515460 /nfs/dbraw/zinc/51/54/60/1322515460.db2.gz FRZMRKFTDPEAIY-BDXSIMOUSA-N 2 0 340.870 3.048 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922390078 1322517147 /nfs/dbraw/zinc/51/71/47/1322517147.db2.gz XEVXRLIXTJAGDY-NCYKPQTJSA-N 2 0 330.516 3.379 20 0 EGADRP Cc1c(Cl)cccc1C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922391134 1322517335 /nfs/dbraw/zinc/51/73/35/1322517335.db2.gz SUNAKIXDWDUWOM-MKXGPGLRSA-N 2 0 336.907 3.218 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000922389914 1322517505 /nfs/dbraw/zinc/51/75/05/1322517505.db2.gz YYDRFAGWXASQQM-YRXWBPOGSA-N 2 0 336.907 3.218 20 0 EGADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC2(CCOCC2)O1 ZINC000922805965 1322622753 /nfs/dbraw/zinc/62/27/53/1322622753.db2.gz BMJXSFHPLRCXMK-LJQANCHMSA-N 2 0 336.520 3.101 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CCN1Cc1ccccc1 ZINC000922868411 1322636423 /nfs/dbraw/zinc/63/64/23/1322636423.db2.gz AAERICKBTNTRCE-JUSBFGHESA-N 2 0 344.499 3.312 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)cc1)C(C)C ZINC000923295427 1322727775 /nfs/dbraw/zinc/72/77/75/1322727775.db2.gz WMQFVCMHOACFOU-UXHICEINSA-N 2 0 343.515 3.226 20 0 EGADRP O[C@@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923364058 1322740583 /nfs/dbraw/zinc/74/05/83/1322740583.db2.gz GMHIAMVMPCUGOV-VXKWHMMOSA-N 2 0 338.495 3.207 20 0 EGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000923453848 1322754087 /nfs/dbraw/zinc/75/40/87/1322754087.db2.gz ZGIVTQPRYWUBJH-RLLQIKCJSA-N 2 0 328.500 3.400 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000923485241 1322760492 /nfs/dbraw/zinc/76/04/92/1322760492.db2.gz RJSGMIXPBAJZPH-DNVCBOLYSA-N 2 0 341.430 3.176 20 0 EGADRP C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923531388 1322770655 /nfs/dbraw/zinc/77/06/55/1322770655.db2.gz PKGOSINYQCRUSK-GOEBONIOSA-N 2 0 340.920 3.177 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000924570530 1323058323 /nfs/dbraw/zinc/05/83/23/1323058323.db2.gz OZSROOWPMJJQRJ-ACJLOTCBSA-N 2 0 349.494 3.290 20 0 EGADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000924578531 1323060415 /nfs/dbraw/zinc/06/04/15/1323060415.db2.gz BBAKXRDPBKRZRI-SFTDATJTSA-N 2 0 340.515 3.243 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001023984579 1323064395 /nfs/dbraw/zinc/06/43/95/1323064395.db2.gz GHBHYVRCRSNYJY-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(-n2cnnc2)c1 ZINC000924610166 1323074330 /nfs/dbraw/zinc/07/43/30/1323074330.db2.gz YYTVXHAKHSXKIG-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024008168 1323077515 /nfs/dbraw/zinc/07/75/15/1323077515.db2.gz CJOMDHWVVXNGQF-INIZCTEOSA-N 2 0 349.544 3.052 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024019222 1323080495 /nfs/dbraw/zinc/08/04/95/1323080495.db2.gz WQQHWAVZXFBUSA-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001024018752 1323081005 /nfs/dbraw/zinc/08/10/05/1323081005.db2.gz SFWOZMFEEUIPMM-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000924682049 1323111710 /nfs/dbraw/zinc/11/17/10/1323111710.db2.gz UYRQTCAWWLFAEE-WOJBJXKFSA-N 2 0 332.536 3.233 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924756604 1323147270 /nfs/dbraw/zinc/14/72/70/1323147270.db2.gz NELGMTVUGHVUDA-XLIONFOSSA-N 2 0 326.484 3.250 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001024136131 1323161146 /nfs/dbraw/zinc/16/11/46/1323161146.db2.gz UDAZSXWBNMCGSO-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924969449 1323232868 /nfs/dbraw/zinc/23/28/68/1323232868.db2.gz JFIZHXQZEGFJLJ-CQSZACIVSA-N 2 0 343.471 3.099 20 0 EGADRP O[C@H](c1ccccc1)C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000852745485 1323234826 /nfs/dbraw/zinc/23/48/26/1323234826.db2.gz TVWKIVCFBYQOHK-JOCHJYFZSA-N 2 0 336.479 3.278 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000852754140 1323236362 /nfs/dbraw/zinc/23/63/62/1323236362.db2.gz QLDIPVBHEDGMNU-KRWDZBQOSA-N 2 0 340.467 3.313 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1coc2ccccc12 ZINC000925042740 1323254489 /nfs/dbraw/zinc/25/44/89/1323254489.db2.gz SWPGZXOCBBMIRO-HZPDHXFCSA-N 2 0 327.472 3.252 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000925048150 1323255340 /nfs/dbraw/zinc/25/53/40/1323255340.db2.gz JEXFSOYSOBNUHW-KRWDZBQOSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000925052311 1323258279 /nfs/dbraw/zinc/25/82/79/1323258279.db2.gz RSVPBXXPRVVPJS-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC(C)(C)CC1 ZINC001024366389 1323341290 /nfs/dbraw/zinc/34/12/90/1323341290.db2.gz RCRGZOICLODPQA-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024437339 1323398271 /nfs/dbraw/zinc/39/82/71/1323398271.db2.gz QQTSXTWBQBENBM-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001024446943 1323406119 /nfs/dbraw/zinc/40/61/19/1323406119.db2.gz LVKOYUFKBMCPEV-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479174 1323430870 /nfs/dbraw/zinc/43/08/70/1323430870.db2.gz AZPFFEWGBXONRW-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024513425 1323463932 /nfs/dbraw/zinc/46/39/32/1323463932.db2.gz PTCCGYKDCCDACS-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737625 1323637076 /nfs/dbraw/zinc/63/70/76/1323637076.db2.gz KPNPOCLDWSLCAQ-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750388 1323652924 /nfs/dbraw/zinc/65/29/24/1323652924.db2.gz QDMWYAJQUHZQTO-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001024982231 1323812354 /nfs/dbraw/zinc/81/23/54/1323812354.db2.gz JHMNMPZHXYSJDW-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001024979767 1323812449 /nfs/dbraw/zinc/81/24/49/1323812449.db2.gz YISWUFSRFOFGMP-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024989305 1323814285 /nfs/dbraw/zinc/81/42/85/1323814285.db2.gz GCGAIVKWBNVJIQ-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024989320 1323814650 /nfs/dbraw/zinc/81/46/50/1323814650.db2.gz GWBMOQIUYXTAJX-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001024992837 1323815905 /nfs/dbraw/zinc/81/59/05/1323815905.db2.gz YHZPQECRHFVUHH-PMACEKPBSA-N 2 0 345.531 3.052 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC001025087623 1323885570 /nfs/dbraw/zinc/88/55/70/1323885570.db2.gz ILETZZDKCIZZHL-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001025168428 1323936887 /nfs/dbraw/zinc/93/68/87/1323936887.db2.gz DLPMVQVSARGAOA-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CC1(O)CC[NH+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000931482822 1329128136 /nfs/dbraw/zinc/12/81/36/1329128136.db2.gz PIHIZMPWNIWXTI-UHFFFAOYSA-N 2 0 348.434 3.187 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240666 1324034531 /nfs/dbraw/zinc/03/45/31/1324034531.db2.gz PZWUUIJXABAYDN-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025258661 1324067466 /nfs/dbraw/zinc/06/74/66/1324067466.db2.gz LGBYJXOBQUYIGC-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001025279335 1324100965 /nfs/dbraw/zinc/10/09/65/1324100965.db2.gz ZYBJTAITUNRMMC-VQTJNVASSA-N 2 0 343.515 3.227 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300969 1324134113 /nfs/dbraw/zinc/13/41/13/1324134113.db2.gz GQDVGKQXSMNKHV-OALUTQOASA-N 2 0 335.536 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025494167 1324345874 /nfs/dbraw/zinc/34/58/74/1324345874.db2.gz VAVDUUDJIOYEGA-MJGOQNOKSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026492755 1324846957 /nfs/dbraw/zinc/84/69/57/1324846957.db2.gz XBIQGXHRGQELNQ-SOAGJPPSSA-N 2 0 347.547 3.377 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC001026560631 1324896627 /nfs/dbraw/zinc/89/66/27/1324896627.db2.gz ZQWCMJJPJXHKET-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CCC3CCCCCC3)CC2)C1 ZINC001026605140 1324928177 /nfs/dbraw/zinc/92/81/77/1324928177.db2.gz FFCIUMNNOBEQSO-XEVCZEQESA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001026856320 1325044923 /nfs/dbraw/zinc/04/49/23/1325044923.db2.gz XQGWRHKHBDOCFD-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328704 1325113716 /nfs/dbraw/zinc/11/37/16/1325113716.db2.gz RTRWEPYXSUGLMH-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345016 1325135309 /nfs/dbraw/zinc/13/53/09/1325135309.db2.gz CLSGESLVRMBAMN-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925472854 1325166450 /nfs/dbraw/zinc/16/64/50/1325166450.db2.gz JIBRVHHEGYIXRF-FQEVSTJZSA-N 2 0 345.531 3.483 20 0 EGADRP COc1cccc([C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)N(C)C)c1 ZINC000925493046 1325175248 /nfs/dbraw/zinc/17/52/48/1325175248.db2.gz JQWVAWCYYZGGHO-NHCUHLMSSA-N 2 0 341.499 3.368 20 0 EGADRP COc1ccc(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)c(OC)c1 ZINC000925517155 1325186614 /nfs/dbraw/zinc/18/66/14/1325186614.db2.gz MZTJJZKWTXFZIN-LJQANCHMSA-N 2 0 328.456 3.316 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1coc2ccccc21 ZINC000925554879 1325205694 /nfs/dbraw/zinc/20/56/94/1325205694.db2.gz DWDGFAIAFSIBSM-JVPBZIDWSA-N 2 0 328.456 3.461 20 0 EGADRP Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925553740 1325205986 /nfs/dbraw/zinc/20/59/86/1325205986.db2.gz VGBNWGMLORRTOB-XYJFISCASA-N 2 0 348.922 3.072 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556076 1325207432 /nfs/dbraw/zinc/20/74/32/1325207432.db2.gz JTLXPDMOSMBOPR-LHDHZVESSA-N 2 0 327.516 3.003 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027104211 1325228893 /nfs/dbraw/zinc/22/88/93/1325228893.db2.gz NCUJAHFUQNZROU-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccccc1 ZINC000925616801 1325230907 /nfs/dbraw/zinc/23/09/07/1325230907.db2.gz OBUSMIKBGZACPG-LJQANCHMSA-N 2 0 325.456 3.440 20 0 EGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925629536 1325237224 /nfs/dbraw/zinc/23/72/24/1325237224.db2.gz NYBTXSRZBOIYDD-IBGZPJMESA-N 2 0 346.496 3.050 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925638859 1325241942 /nfs/dbraw/zinc/24/19/42/1325241942.db2.gz HKLMVRWTPVZIQI-BJOMATTFSA-N 2 0 336.479 3.493 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1 ZINC000925673066 1325256983 /nfs/dbraw/zinc/25/69/83/1325256983.db2.gz LYMNQFKNDAJQRE-IEBWSBKVSA-N 2 0 327.447 3.474 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000925721118 1325269606 /nfs/dbraw/zinc/26/96/06/1325269606.db2.gz AFTYAPBOQJTTHO-FDRBHKFBSA-N 3 0 341.543 3.394 20 0 EGADRP c1ccc([C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)nc1 ZINC000925824261 1325318221 /nfs/dbraw/zinc/31/82/21/1325318221.db2.gz WFFDDBSXWDFUOR-TYPHKJRUSA-N 2 0 335.451 3.378 20 0 EGADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000963565291 1325322315 /nfs/dbraw/zinc/32/23/15/1325322315.db2.gz YZSSKQXGFLGINK-SOAGJPPSSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000926311456 1325511773 /nfs/dbraw/zinc/51/17/73/1325511773.db2.gz YKHWDHAHJUBDRK-UWJYYQICSA-N 2 0 327.516 3.113 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027430582 1327669818 /nfs/dbraw/zinc/66/98/18/1327669818.db2.gz SWUDGIIDOAJSBC-QGZVFWFLSA-N 2 0 349.544 3.146 20 0 EGADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000927039208 1327828263 /nfs/dbraw/zinc/82/82/63/1327828263.db2.gz TWCCZXLEOJAWDT-LHQJTOJGSA-N 2 0 330.520 3.128 20 0 EGADRP CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542072 1327843856 /nfs/dbraw/zinc/84/38/56/1327843856.db2.gz HPPLREADBGSORO-RTBURBONSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542941 1327847820 /nfs/dbraw/zinc/84/78/20/1327847820.db2.gz VOXRKOSXCWALAU-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001027602196 1327954950 /nfs/dbraw/zinc/95/49/50/1327954950.db2.gz NFPMAEHSZJJBMT-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCC3)C2)CC1 ZINC001027628730 1327992835 /nfs/dbraw/zinc/99/28/35/1327992835.db2.gz JLSJCRWSPDJTAK-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650926 1328032873 /nfs/dbraw/zinc/03/28/73/1328032873.db2.gz KGTWUOLLXPFUCO-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001027695402 1328102664 /nfs/dbraw/zinc/10/26/64/1328102664.db2.gz UGSJOIYMWWMTTO-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027918444 1328397104 /nfs/dbraw/zinc/39/71/04/1328397104.db2.gz NPNUVZMAANHHRT-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027918811 1328398154 /nfs/dbraw/zinc/39/81/54/1328398154.db2.gz QIHHNYDVUIMIJJ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027931771 1328410594 /nfs/dbraw/zinc/41/05/94/1328410594.db2.gz KJMHKVMMKCMZHW-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004253 1328467006 /nfs/dbraw/zinc/46/70/06/1328467006.db2.gz WQRSUNKQQNWFDR-LPHOPBHVSA-N 2 0 348.450 3.290 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000865484479 1329703854 /nfs/dbraw/zinc/70/38/54/1329703854.db2.gz XOXOZFWNISIYOK-ZWKOTPCHSA-N 2 0 331.504 3.126 20 0 EGADRP CCn1ccnc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717397 1329732289 /nfs/dbraw/zinc/73/22/89/1329732289.db2.gz BPJGDSPBHGEPIT-UHFFFAOYSA-N 2 0 326.488 3.295 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000933258940 1329875439 /nfs/dbraw/zinc/87/54/39/1329875439.db2.gz UTJSQCFHTPFLMB-HKUYNNGSSA-N 2 0 345.531 3.276 20 0 EGADRP c1cc(C[N@@H+]2CCC[C@H]2C2OCCO2)cc(C[NH+]2CCCCC2)c1 ZINC000933899666 1329931856 /nfs/dbraw/zinc/93/18/56/1329931856.db2.gz FSOFQUZFDNBXIF-IBGZPJMESA-N 2 0 330.472 3.010 20 0 EGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(SC(F)(F)F)c1 ZINC000866271095 1330088655 /nfs/dbraw/zinc/08/86/55/1330088655.db2.gz CTXJDNSAAMLYCV-LBPRGKRZSA-N 2 0 348.434 3.406 20 0 EGADRP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000866306880 1330093798 /nfs/dbraw/zinc/09/37/98/1330093798.db2.gz OFOOWGZUWVVWDR-YYWHXJBOSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)CC1(C)OCCO1 ZINC000866426022 1330110457 /nfs/dbraw/zinc/11/04/57/1330110457.db2.gz QQWQZXYIHWNREO-AOIWGVFYSA-N 2 0 338.536 3.408 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941244942 1331411516 /nfs/dbraw/zinc/41/15/16/1331411516.db2.gz QISQELWHZJHFGN-SFHVURJKSA-N 2 0 349.519 3.362 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C[C@@H]2C)o1 ZINC000945337248 1332560445 /nfs/dbraw/zinc/56/04/45/1332560445.db2.gz VJWWEOBLOZNTOX-FUHWJXTLSA-N 2 0 349.519 3.218 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728236 1332885791 /nfs/dbraw/zinc/88/57/91/1332885791.db2.gz AEWLRDKINXWXHB-HSALFYBXSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902441 1332928643 /nfs/dbraw/zinc/92/86/43/1332928643.db2.gz PRWWZOJJRPXXRW-LWYYNNOASA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC000947615266 1333193432 /nfs/dbraw/zinc/19/34/32/1333193432.db2.gz GZNZSMDEYIUHKO-PKOBYXMFSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC000947617393 1333194027 /nfs/dbraw/zinc/19/40/27/1333194027.db2.gz YBCMDNJKBBTAFB-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722002 1333240910 /nfs/dbraw/zinc/24/09/10/1333240910.db2.gz CRBSAJZATDGOAS-PXNSSMCTSA-N 2 0 345.531 3.174 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725711 1333241056 /nfs/dbraw/zinc/24/10/56/1333241056.db2.gz CARPCGUFQMIAOU-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCC1CCCCC1 ZINC000947934828 1333312459 /nfs/dbraw/zinc/31/24/59/1333312459.db2.gz MPMGSTVYSUVQDP-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948373978 1333499944 /nfs/dbraw/zinc/49/99/44/1333499944.db2.gz PYHFIBKBLPKNDO-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948416464 1333516489 /nfs/dbraw/zinc/51/64/89/1333516489.db2.gz GKPUOHCDONUUDX-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948436010 1333523623 /nfs/dbraw/zinc/52/36/23/1333523623.db2.gz RSQKNKHKFNFEBL-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c(C(=O)N(C)[C@@H]2CCC[N@@H+](CC(C)C)CC2)ccc2c[nH+]cn21 ZINC000948571071 1333581999 /nfs/dbraw/zinc/58/19/99/1333581999.db2.gz YNHXITZLUNLQDA-QGZVFWFLSA-N 2 0 342.487 3.225 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948621429 1333600753 /nfs/dbraw/zinc/60/07/53/1333600753.db2.gz PNHMERXLCVOCJF-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948706049 1333641117 /nfs/dbraw/zinc/64/11/17/1333641117.db2.gz SOPRZIDDITZZMT-MJGOQNOKSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000948935041 1333739589 /nfs/dbraw/zinc/73/95/89/1333739589.db2.gz CBCBLXJKWVLUAE-FQEVSTJZSA-N 2 0 348.450 3.072 20 0 EGADRP C[C@H](C(=O)N1CC[NH+](CCC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000951192976 1334202967 /nfs/dbraw/zinc/20/29/67/1334202967.db2.gz ZNEUVKZETIFHJD-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CC(CC)CC)C2)C1 ZINC000951211857 1334209554 /nfs/dbraw/zinc/20/95/54/1334209554.db2.gz CRJITSHVMHLFBA-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967085479 1335658811 /nfs/dbraw/zinc/65/88/11/1335658811.db2.gz KOZVAAIWMKGRPY-HNAYVOBHSA-N 2 0 340.471 3.049 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673825 1336004830 /nfs/dbraw/zinc/00/48/30/1336004830.db2.gz MNFIIEAEZDVMCL-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCCC1 ZINC000968782270 1336048597 /nfs/dbraw/zinc/04/85/97/1336048597.db2.gz UWJSSETVBNQPQG-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC=C(C)C ZINC000968882190 1336077975 /nfs/dbraw/zinc/07/79/75/1336077975.db2.gz JFJWPGRVNCHEPT-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000969059674 1336133237 /nfs/dbraw/zinc/13/32/37/1336133237.db2.gz QJQIGOPJWPKOIH-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000969059866 1336133709 /nfs/dbraw/zinc/13/37/09/1336133709.db2.gz TWLHJBYDZQLCEI-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970719504 1336335402 /nfs/dbraw/zinc/33/54/02/1336335402.db2.gz SBBZTDGYQQJIIY-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000970792223 1336338013 /nfs/dbraw/zinc/33/80/13/1336338013.db2.gz GSVAGFYBNBILPG-WOJBJXKFSA-N 2 0 343.515 3.204 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC000970792831 1336338050 /nfs/dbraw/zinc/33/80/50/1336338050.db2.gz YQKFVZBKXMOTEZ-AZUAARDMSA-N 2 0 343.515 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](CCC(C)C)CC2)C1 ZINC001005870282 1336413267 /nfs/dbraw/zinc/41/32/67/1336413267.db2.gz HBKDZZWCLGGSBC-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001005989975 1336435173 /nfs/dbraw/zinc/43/51/73/1336435173.db2.gz AVBXVQAQIMJXCX-UHFFFAOYSA-N 2 0 345.531 3.127 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001006084216 1336449874 /nfs/dbraw/zinc/44/98/74/1336449874.db2.gz PUEUIDGLYBQLFW-AFMYVXGZSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006133515 1336456833 /nfs/dbraw/zinc/45/68/33/1336456833.db2.gz SHHFLEJAXABCJF-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006293186 1336484521 /nfs/dbraw/zinc/48/45/21/1336484521.db2.gz XOAAIHLYZXYPSV-IEBWSBKVSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001006413980 1336501451 /nfs/dbraw/zinc/50/14/51/1336501451.db2.gz VLIKQZLKDNGUEQ-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](F)C[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006438779 1336506568 /nfs/dbraw/zinc/50/65/68/1336506568.db2.gz MDTAHFYXWBYWTR-GOSISDBHSA-N 2 0 349.494 3.033 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007501303 1336658262 /nfs/dbraw/zinc/65/82/62/1336658262.db2.gz XKARZDPLYRQTCD-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007622376 1336680041 /nfs/dbraw/zinc/68/00/41/1336680041.db2.gz UYBRSADDBBLNMG-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(Cl)ncc2Br)CCC[C@@H]1C[NH3+] ZINC001206003614 1370935437 /nfs/dbraw/zinc/93/54/37/1370935437.db2.gz KGSZMVVMHSIFOO-GHMZBOCLSA-N 2 0 346.700 3.304 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001008282676 1336814448 /nfs/dbraw/zinc/81/44/48/1336814448.db2.gz YRVJFBPSQAUNKC-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008297150 1336817566 /nfs/dbraw/zinc/81/75/66/1336817566.db2.gz BVKZZZONDZJVRL-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001008769102 1336923864 /nfs/dbraw/zinc/92/38/64/1336923864.db2.gz OUJXRRBUFIDGPW-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773075 1336924644 /nfs/dbraw/zinc/92/46/44/1336924644.db2.gz YGTAGJYBGNLOBU-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001009627198 1337049457 /nfs/dbraw/zinc/04/94/57/1337049457.db2.gz KVJQPBXAVQHIKY-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014627384 1337852409 /nfs/dbraw/zinc/85/24/09/1337852409.db2.gz HAWXIUZBPXLAJS-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014633884 1337854495 /nfs/dbraw/zinc/85/44/95/1337854495.db2.gz UMEIGDSLTYZTOJ-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014635692 1337854628 /nfs/dbraw/zinc/85/46/28/1337854628.db2.gz XFBMFIFSFVZVTA-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014721156 1337883295 /nfs/dbraw/zinc/88/32/95/1337883295.db2.gz IJGAYPFXEMNSSC-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001014724024 1337885334 /nfs/dbraw/zinc/88/53/34/1337885334.db2.gz SRUCDUJHFLTUCB-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014724624 1337885563 /nfs/dbraw/zinc/88/55/63/1337885563.db2.gz VZFNMGRRLWASHT-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014724660 1337885750 /nfs/dbraw/zinc/88/57/50/1337885750.db2.gz WOTMVQHIBDWEIK-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014724621 1337886021 /nfs/dbraw/zinc/88/60/21/1337886021.db2.gz VZFNMGRRLWASHT-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015110542 1338022888 /nfs/dbraw/zinc/02/28/88/1338022888.db2.gz UXHFEBBLJFVQPF-UYAOXDASSA-N 2 0 348.450 3.290 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015116011 1338023625 /nfs/dbraw/zinc/02/36/25/1338023625.db2.gz ZCYNGOFJQFVHBA-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291871 1338087216 /nfs/dbraw/zinc/08/72/16/1338087216.db2.gz WNSKBUPEGZFDCI-FUHWJXTLSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015388333 1338120875 /nfs/dbraw/zinc/12/08/75/1338120875.db2.gz PNVPWWHWJLDMSW-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)C2)cc1 ZINC001015856983 1338335576 /nfs/dbraw/zinc/33/55/76/1338335576.db2.gz AYCKNHUYOLRFIN-HXUWFJFHSA-N 2 0 341.499 3.053 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001015971809 1338385130 /nfs/dbraw/zinc/38/51/30/1338385130.db2.gz DPLJFLAQDBOCQG-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016611691 1338663609 /nfs/dbraw/zinc/66/36/09/1338663609.db2.gz FEDGANMCTRONSL-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016615807 1338665357 /nfs/dbraw/zinc/66/53/57/1338665357.db2.gz XSAKJOFPBQMPDZ-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016619652 1338666400 /nfs/dbraw/zinc/66/64/00/1338666400.db2.gz BWGKXYKQCCVBKA-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017153455 1338904430 /nfs/dbraw/zinc/90/44/30/1338904430.db2.gz PVRLEPYFFTUDAG-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H](C[N@H+](C)CC3CCCC3)C2)CC1 ZINC001017239706 1338972230 /nfs/dbraw/zinc/97/22/30/1338972230.db2.gz HVNWNCBOCFVYEM-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC1CCC(C)CC1)C2)[NH+](C)C ZINC001017906349 1339446383 /nfs/dbraw/zinc/44/63/83/1339446383.db2.gz VPBTWCJOTYYKSG-ZCFHBRKKSA-N 2 0 349.563 3.074 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001028089306 1340419017 /nfs/dbraw/zinc/41/90/17/1340419017.db2.gz YGYWQLICDQSNLU-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001028334611 1340571262 /nfs/dbraw/zinc/57/12/62/1340571262.db2.gz DXPDKMSNUWAZHF-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001028334610 1340571544 /nfs/dbraw/zinc/57/15/44/1340571544.db2.gz DXPDKMSNUWAZHF-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP O=C(NC[C@H]1CC[N@H+](CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028658666 1340743868 /nfs/dbraw/zinc/74/38/68/1340743868.db2.gz BXDUACWYVXNUOL-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755238 1340791989 /nfs/dbraw/zinc/79/19/89/1340791989.db2.gz JTENJLQYQKFKNI-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001028844736 1340855759 /nfs/dbraw/zinc/85/57/59/1340855759.db2.gz BGIQOUFRURHMDJ-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028845143 1340855906 /nfs/dbraw/zinc/85/59/06/1340855906.db2.gz GXSZNTGRPBUODX-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028844773 1340856158 /nfs/dbraw/zinc/85/61/58/1340856158.db2.gz CECSEUJKNYLNMC-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001029111676 1340932626 /nfs/dbraw/zinc/93/26/26/1340932626.db2.gz MIZZMHCPBCPIST-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001029347766 1340975015 /nfs/dbraw/zinc/97/50/15/1340975015.db2.gz HXBQTGLQCHQFSM-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029595254 1341018638 /nfs/dbraw/zinc/01/86/38/1341018638.db2.gz FDIVYYJOCOHQCW-QGZVKYPTSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029970160 1341138923 /nfs/dbraw/zinc/13/89/23/1341138923.db2.gz NYLQZVIEWGQOJP-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001030020187 1341159738 /nfs/dbraw/zinc/15/97/38/1341159738.db2.gz ULYODRITZQCGRP-FHLIZLRMSA-N 2 0 349.906 3.076 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032043055 1341444158 /nfs/dbraw/zinc/44/41/58/1341444158.db2.gz UDSJPYJUHBZRFZ-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032433299 1341511056 /nfs/dbraw/zinc/51/10/56/1341511056.db2.gz NFYZVNUGCYDHJM-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032583944 1341549337 /nfs/dbraw/zinc/54/93/37/1341549337.db2.gz JTDROKSQWHQOEA-UFYCRDLUSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)(C)C ZINC001032727158 1341593388 /nfs/dbraw/zinc/59/33/88/1341593388.db2.gz ZLVFIHSYGJXOSH-GBESFXJTSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840083 1341630958 /nfs/dbraw/zinc/63/09/58/1341630958.db2.gz JKNGUGSBDHTHEN-FFGOWVMKSA-N 2 0 343.515 3.059 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033319367 1341779907 /nfs/dbraw/zinc/77/99/07/1341779907.db2.gz PSGUYPQFGBLKLP-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033353307 1341793532 /nfs/dbraw/zinc/79/35/32/1341793532.db2.gz GHAOIMLHZRBKEJ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033365091 1341797065 /nfs/dbraw/zinc/79/70/65/1341797065.db2.gz KAUVESPNYMKIAH-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033416995 1341821077 /nfs/dbraw/zinc/82/10/77/1341821077.db2.gz SYWXBKCTLQKCSN-HKUYNNGSSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533257 1341861546 /nfs/dbraw/zinc/86/15/46/1341861546.db2.gz XQYKCADHIYUGFU-UYAOXDASSA-N 2 0 343.515 3.012 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033545802 1341865416 /nfs/dbraw/zinc/86/54/16/1341865416.db2.gz ASNSWZMRQJSXQA-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699750 1341966635 /nfs/dbraw/zinc/96/66/35/1341966635.db2.gz PQXDBONNXDIMGS-IRXDYDNUSA-N 2 0 349.519 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCC(C)C)C2)C1 ZINC001033936942 1342100193 /nfs/dbraw/zinc/10/01/93/1342100193.db2.gz ZNBSHTHZZIVCAZ-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033989704 1342133423 /nfs/dbraw/zinc/13/34/23/1342133423.db2.gz OMUIEUXVTZGGSJ-HXUWFJFHSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034205818 1342316123 /nfs/dbraw/zinc/31/61/23/1342316123.db2.gz YYTBLBVBOSQCPF-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209590 1342319366 /nfs/dbraw/zinc/31/93/66/1342319366.db2.gz BXJCXJUMIKYMSM-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211456 1342321119 /nfs/dbraw/zinc/32/11/19/1342321119.db2.gz MXCOPDNBINHNQL-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251449 1342347745 /nfs/dbraw/zinc/34/77/45/1342347745.db2.gz ZHBYHPULFCDAND-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034361788 1342432805 /nfs/dbraw/zinc/43/28/05/1342432805.db2.gz SCFRMZNCEVGVJH-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034398182 1342464906 /nfs/dbraw/zinc/46/49/06/1342464906.db2.gz NIEROTITKKAXGA-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405853 1342469465 /nfs/dbraw/zinc/46/94/65/1342469465.db2.gz VQPRBMBPZLIGPO-HXUWFJFHSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034436723 1342499622 /nfs/dbraw/zinc/49/96/22/1342499622.db2.gz BIDAUIVKDILVGI-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479226 1342536195 /nfs/dbraw/zinc/53/61/95/1342536195.db2.gz UZVGDMASFHDYEF-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034526727 1342582968 /nfs/dbraw/zinc/58/29/68/1342582968.db2.gz AIOORSYEDKOGHH-ICSRJNTNSA-N 2 0 343.515 3.123 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034526744 1342583545 /nfs/dbraw/zinc/58/35/45/1342583545.db2.gz AIOORSYEDKOGHH-UYAOXDASSA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529068 1342585340 /nfs/dbraw/zinc/58/53/40/1342585340.db2.gz WBKGANJODDWQLN-VQTJNVASSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034537388 1342594071 /nfs/dbraw/zinc/59/40/71/1342594071.db2.gz BCAPJPUYZXUKAS-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034656774 1342674337 /nfs/dbraw/zinc/67/43/37/1342674337.db2.gz IQHXCDOCDNGSKS-QAQDUYKDSA-N 2 0 349.544 3.240 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001034683226 1342690310 /nfs/dbraw/zinc/69/03/10/1342690310.db2.gz CTLHAFDTYNUURO-WGSAOQKQSA-N 2 0 345.531 3.132 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]([NH2+]CC3CC(C)C3)CC2)CC1 ZINC001034769555 1342748159 /nfs/dbraw/zinc/74/81/59/1342748159.db2.gz UFWWQGKUEBGCDL-NOKIBDOBSA-N 2 0 349.563 3.170 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001034784067 1342759647 /nfs/dbraw/zinc/75/96/47/1342759647.db2.gz CZJZGINGXGZXMR-ZJOUEHCJSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001078813279 1357094526 /nfs/dbraw/zinc/09/45/26/1357094526.db2.gz YJZHGZABYAUGEN-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035071176 1342912100 /nfs/dbraw/zinc/91/21/00/1342912100.db2.gz PWYQOUUJJUBYFC-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078820487 1357100612 /nfs/dbraw/zinc/10/06/12/1357100612.db2.gz XFLRCKTVDPMUPP-RTBURBONSA-N 2 0 343.515 3.035 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)CC[N@@H+]1C ZINC001035187135 1343001221 /nfs/dbraw/zinc/00/12/21/1343001221.db2.gz RSZGXFWEYMZOEC-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194412 1343008707 /nfs/dbraw/zinc/00/87/07/1343008707.db2.gz LZIPMLPWDLBYNG-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1)[NH+](C)C ZINC001035228793 1343050732 /nfs/dbraw/zinc/05/07/32/1343050732.db2.gz ABNGGNAASAGJQN-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233900 1343056163 /nfs/dbraw/zinc/05/61/63/1343056163.db2.gz OMPTXCDZCLQNGP-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035259966 1343086685 /nfs/dbraw/zinc/08/66/85/1343086685.db2.gz KGTNPSJSKIJDBF-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741377 1343163028 /nfs/dbraw/zinc/16/30/28/1343163028.db2.gz MEKKZKIXTIJBIP-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036409205 1343470299 /nfs/dbraw/zinc/47/02/99/1343470299.db2.gz HBRHCGJCSXOVHZ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001036423114 1343477415 /nfs/dbraw/zinc/47/74/15/1343477415.db2.gz ZUVFHACTUIGWKO-AEFFLSMTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001036438537 1343487862 /nfs/dbraw/zinc/48/78/62/1343487862.db2.gz HUFZXTJZLKEQLW-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001036448258 1343493506 /nfs/dbraw/zinc/49/35/06/1343493506.db2.gz BCBXOCCOCUNWIV-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001036481723 1343508287 /nfs/dbraw/zinc/50/82/87/1343508287.db2.gz ZKVQTUXLZBCKCN-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036556534 1343552394 /nfs/dbraw/zinc/55/23/94/1343552394.db2.gz MQBAVNDUCJJGSI-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]C(C)C)o1 ZINC001036601567 1343571141 /nfs/dbraw/zinc/57/11/41/1343571141.db2.gz WHWJNFLGGSJSAU-SJLPKXTDSA-N 2 0 349.519 3.360 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001037088545 1343972675 /nfs/dbraw/zinc/97/26/75/1343972675.db2.gz LLKMHXZDFZFVSU-VQTJNVASSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001037238599 1344061619 /nfs/dbraw/zinc/06/16/19/1344061619.db2.gz YUUXEBIYURXYJU-RTBURBONSA-N 2 0 331.504 3.035 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037857096 1344142322 /nfs/dbraw/zinc/14/23/22/1344142322.db2.gz SUXVQIRBLGTKOO-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037858086 1344143701 /nfs/dbraw/zinc/14/37/01/1344143701.db2.gz DRVCQXUPQWGLMW-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037883551 1344158835 /nfs/dbraw/zinc/15/88/35/1344158835.db2.gz IAUYXIRQXFABRA-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037928990 1344187119 /nfs/dbraw/zinc/18/71/19/1344187119.db2.gz VMCQVGKFBNZLHV-AZUAARDMSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038238226 1344337910 /nfs/dbraw/zinc/33/79/10/1344337910.db2.gz GJOOFHASDCWRFE-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038241419 1344338776 /nfs/dbraw/zinc/33/87/76/1344338776.db2.gz TXLSYGLKBXMEPC-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001038431657 1344426137 /nfs/dbraw/zinc/42/61/37/1344426137.db2.gz KCTYXLNSNXDLSM-DNVCBOLYSA-N 2 0 348.450 3.208 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC2=CCCCC2)c1 ZINC001039041174 1344727910 /nfs/dbraw/zinc/72/79/10/1344727910.db2.gz ZDEJALPMKUETHK-HXUWFJFHSA-N 2 0 341.499 3.053 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133339 1344811440 /nfs/dbraw/zinc/81/14/40/1344811440.db2.gz GUIZTQZFRIGGRW-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039133742 1344811978 /nfs/dbraw/zinc/81/19/78/1344811978.db2.gz LPOSXJSQUPVYJS-PMACEKPBSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CC[NH+](C(C)C)C3)CC2)C1 ZINC001039152360 1344836178 /nfs/dbraw/zinc/83/61/78/1344836178.db2.gz XPOXQZYWGQUEAM-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153782 1344837711 /nfs/dbraw/zinc/83/77/11/1344837711.db2.gz HQTWQQMXVPDOPZ-WOJBJXKFSA-N 2 0 349.563 3.099 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155840 1344841174 /nfs/dbraw/zinc/84/11/74/1344841174.db2.gz DUBKLIRFHUQLMY-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168279 1344855909 /nfs/dbraw/zinc/85/59/09/1344855909.db2.gz SJLQZABGPIBEKW-HXUWFJFHSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237584 1344960441 /nfs/dbraw/zinc/96/04/41/1344960441.db2.gz HQCMTZJGDAPBLJ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039280966 1344995075 /nfs/dbraw/zinc/99/50/75/1344995075.db2.gz SSVXIVQAGAQWMA-UMQXSMKFSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039301880 1345004012 /nfs/dbraw/zinc/00/40/12/1345004012.db2.gz QHMCPEACNLQBFS-XUBOLADHSA-N 2 0 349.563 3.409 20 0 EGADRP CC1(C)CC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C(=O)C[NH+]2CCCC2)C1 ZINC001039321703 1345013103 /nfs/dbraw/zinc/01/31/03/1345013103.db2.gz NAEKDZXKFKVUOB-YQQQUEKLSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447918 1345072545 /nfs/dbraw/zinc/07/25/45/1345072545.db2.gz PMOORMNUXGQDNJ-CEXWTWQISA-N 2 0 335.536 3.115 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447767 1345072690 /nfs/dbraw/zinc/07/26/90/1345072690.db2.gz JENNDZZNQVCNSM-OTWHNJEPSA-N 2 0 335.536 3.116 20 0 EGADRP CCc1nccn1[C@H](C)CC(=O)N1CCC([N@H+](CC)CC2CC2)CC1 ZINC001039486016 1345104108 /nfs/dbraw/zinc/10/41/08/1345104108.db2.gz XKFDCJZMHZZQSB-MRXNPFEDSA-N 2 0 346.519 3.120 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](CC)CC2CC2)CC1 ZINC001039490974 1345111223 /nfs/dbraw/zinc/11/12/23/1345111223.db2.gz IUNVZZHYUFSKNF-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001039658423 1345153974 /nfs/dbraw/zinc/15/39/74/1345153974.db2.gz JMHGZSIGKAVFES-OTWHNJEPSA-N 2 0 349.563 3.074 20 0 EGADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001040006196 1345285008 /nfs/dbraw/zinc/28/50/08/1345285008.db2.gz VEQNWPZDDTXEFP-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2)C1CCC1 ZINC001040240459 1345390696 /nfs/dbraw/zinc/39/06/96/1345390696.db2.gz GOJQOXXQLPSYHM-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260219 1345399586 /nfs/dbraw/zinc/39/95/86/1345399586.db2.gz CHVQZLYTPKTQEQ-QUCCMNQESA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC1CCC1)C2)[NH+](C)C ZINC001040260207 1345399615 /nfs/dbraw/zinc/39/96/15/1345399615.db2.gz CEISZCABNJDZAA-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040323347 1345432416 /nfs/dbraw/zinc/43/24/16/1345432416.db2.gz QGFFZQUYDAZPJR-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040397696 1345475521 /nfs/dbraw/zinc/47/55/21/1345475521.db2.gz CHVQZLYTPKTQEQ-ICSRJNTNSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463532 1345509781 /nfs/dbraw/zinc/50/97/81/1345509781.db2.gz HEDZHDRCAFECFW-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040721964 1345570601 /nfs/dbraw/zinc/57/06/01/1345570601.db2.gz HDBPLFRTKLXNPH-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001040817482 1345581859 /nfs/dbraw/zinc/58/18/59/1345581859.db2.gz RCFBFYSINQGSAF-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001040830776 1345583828 /nfs/dbraw/zinc/58/38/28/1345583828.db2.gz NKKGROWTGDMZEP-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882324 1345593673 /nfs/dbraw/zinc/59/36/73/1345593673.db2.gz CSISOYVSWUSHIO-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040912506 1345598790 /nfs/dbraw/zinc/59/87/90/1345598790.db2.gz PATWBMPJQDXPDJ-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041340064 1345705534 /nfs/dbraw/zinc/70/55/34/1345705534.db2.gz SDEIQRQVXYVGLK-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001041377720 1345712259 /nfs/dbraw/zinc/71/22/59/1345712259.db2.gz DUJQUIYWAKWSCW-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845465 1345871725 /nfs/dbraw/zinc/87/17/25/1345871725.db2.gz DKTVUIILULUPGO-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042187099 1345974424 /nfs/dbraw/zinc/97/44/24/1345974424.db2.gz LOSJDEAXEYIFSU-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001042917368 1346124384 /nfs/dbraw/zinc/12/43/84/1346124384.db2.gz FRBFJSBWOLZJNS-IBGZPJMESA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044184294 1346268103 /nfs/dbraw/zinc/26/81/03/1346268103.db2.gz ZXLYENRLWIUFDK-OALUTQOASA-N 2 0 347.547 3.140 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C[C@@H]2C)CC1 ZINC001044794253 1346429382 /nfs/dbraw/zinc/42/93/82/1346429382.db2.gz UYVVHUXWGIIBLY-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044859030 1346447043 /nfs/dbraw/zinc/44/70/43/1346447043.db2.gz YYJCCWYIXTZPCQ-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858942 1346447057 /nfs/dbraw/zinc/44/70/57/1346447057.db2.gz XQGDGFICPQJWRZ-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045061045 1346488326 /nfs/dbraw/zinc/48/83/26/1346488326.db2.gz RZZMLOQICSGMKS-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)C1CCC1 ZINC001045070604 1346489723 /nfs/dbraw/zinc/48/97/23/1346489723.db2.gz NMVRTUAYMJANQT-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001045438383 1346594256 /nfs/dbraw/zinc/59/42/56/1346594256.db2.gz RPCKVNNPXGXXOM-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045475670 1346602971 /nfs/dbraw/zinc/60/29/71/1346602971.db2.gz OFMNHPUBDGWNQQ-RTBURBONSA-N 2 0 347.547 3.164 20 0 EGADRP CC1(NC(=O)c2ccc3c[nH+]cn3c2)CC[NH+](CC2CCCC2)CC1 ZINC001045505278 1346612510 /nfs/dbraw/zinc/61/25/10/1346612510.db2.gz XLKLXYGXHKBFJV-UHFFFAOYSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CC3CC(C)C3)CC2)C1 ZINC001045531378 1346619170 /nfs/dbraw/zinc/61/91/70/1346619170.db2.gz GLMWWJRJORUGRX-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045545238 1346625468 /nfs/dbraw/zinc/62/54/68/1346625468.db2.gz VXTAIFQBDGDMRD-KRWDZBQOSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045640382 1346655981 /nfs/dbraw/zinc/65/59/81/1346655981.db2.gz PATGKTYWKYGANY-OALUTQOASA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001046316782 1346932000 /nfs/dbraw/zinc/93/20/00/1346932000.db2.gz RDQSKNJFNAACHH-UYAOXDASSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046368915 1346951916 /nfs/dbraw/zinc/95/19/16/1346951916.db2.gz KFMLNGGVJRJRHC-CTNGQTDRSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046375694 1346954443 /nfs/dbraw/zinc/95/44/43/1346954443.db2.gz OTXIJLFWOZLZAU-CTNGQTDRSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046558985 1347016364 /nfs/dbraw/zinc/01/63/64/1347016364.db2.gz WOEZXUAYMOSOBC-AZUAARDMSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC(C)(C)C)C2)C1 ZINC001046561037 1347017769 /nfs/dbraw/zinc/01/77/69/1347017769.db2.gz AVIXJUVQFAXXOX-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCCC1)C2 ZINC001047200943 1347240966 /nfs/dbraw/zinc/24/09/66/1347240966.db2.gz IYMTYQAVYHOVFN-ZCNNSNEGSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047242355 1347268110 /nfs/dbraw/zinc/26/81/10/1347268110.db2.gz CNAQACBHXAOWDN-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047248980 1347273793 /nfs/dbraw/zinc/27/37/93/1347273793.db2.gz PYYSDFHEFPVQQK-YSIASYRMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263311 1347284368 /nfs/dbraw/zinc/28/43/68/1347284368.db2.gz GASNNXSCCPAVSM-ICSRJNTNSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048338940 1347523267 /nfs/dbraw/zinc/52/32/67/1347523267.db2.gz OQOOLYOVVRLZLI-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)CC[N@@H+]1C ZINC001048529962 1347579748 /nfs/dbraw/zinc/57/97/48/1347579748.db2.gz ZUYANBWNEKYLHH-LJDSDSDDSA-N 2 0 347.547 3.042 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048534006 1347582571 /nfs/dbraw/zinc/58/25/71/1347582571.db2.gz ODONYILIVJTTHA-RNQOJCNYSA-N 2 0 347.547 3.163 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048539267 1347583955 /nfs/dbraw/zinc/58/39/55/1347583955.db2.gz MMTXQMBQUDOBTG-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543415 1347585820 /nfs/dbraw/zinc/58/58/20/1347585820.db2.gz YBVMAOBPPPTTLA-OKYOBFRVSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048573238 1347599629 /nfs/dbraw/zinc/59/96/29/1347599629.db2.gz YCNDTOAOCQFDPZ-RDGPPVDQSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048609739 1347617434 /nfs/dbraw/zinc/61/74/34/1347617434.db2.gz PDBRVEPPSLYWCR-UFYCRDLUSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)C1 ZINC001048615482 1347619542 /nfs/dbraw/zinc/61/95/42/1347619542.db2.gz HYNQELBMKUJWQR-GUDVDZBRSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001048620023 1347621258 /nfs/dbraw/zinc/62/12/58/1347621258.db2.gz XQZFGXXDHHJJGH-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC001049367685 1347807240 /nfs/dbraw/zinc/80/72/40/1347807240.db2.gz ASPXRFONBVQQIJ-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049462691 1347861221 /nfs/dbraw/zinc/86/12/21/1347861221.db2.gz ABKDJLVQFTTYHU-ZCNNSNEGSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049533040 1347895059 /nfs/dbraw/zinc/89/50/59/1347895059.db2.gz LXKGBBOBAYZDQJ-BZSNNMDCSA-N 2 0 337.552 3.074 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533034 1347895103 /nfs/dbraw/zinc/89/51/03/1347895103.db2.gz LXFODVMGRSRKIJ-OTWHNJEPSA-N 2 0 337.552 3.074 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049532371 1347895478 /nfs/dbraw/zinc/89/54/78/1347895478.db2.gz IHDUVGJOCBGRHL-AABGKKOBSA-N 2 0 347.547 3.138 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049557014 1347908495 /nfs/dbraw/zinc/90/84/95/1347908495.db2.gz FOOJXBFMNCARLL-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049711320 1347986243 /nfs/dbraw/zinc/98/62/43/1347986243.db2.gz LXFODVMGRSRKIJ-IPMKNSEASA-N 2 0 337.552 3.074 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC(C)(C)C)CC1 ZINC001049804690 1348028104 /nfs/dbraw/zinc/02/81/04/1348028104.db2.gz HLDBYURNMQSYSH-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820647 1348037507 /nfs/dbraw/zinc/03/75/07/1348037507.db2.gz LPTJMHHISLIPEY-DFQSSKMNSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919394 1348112729 /nfs/dbraw/zinc/11/27/29/1348112729.db2.gz OVLHACQPTKDIPG-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001050265229 1348222627 /nfs/dbraw/zinc/22/26/27/1348222627.db2.gz LMKNYQLLYYYOHB-OXQOHEQNSA-N 2 0 343.515 3.238 20 0 EGADRP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001050270933 1348224261 /nfs/dbraw/zinc/22/42/61/1348224261.db2.gz BKAOPGDJKUIVJI-QFBILLFUSA-N 2 0 331.504 3.236 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001050270563 1348224292 /nfs/dbraw/zinc/22/42/92/1348224292.db2.gz VBPMSACCDPFPRA-MRXNPFEDSA-N 2 0 343.515 3.095 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050385971 1348246762 /nfs/dbraw/zinc/24/67/62/1348246762.db2.gz DAVPPIBBYRTTPO-WTGUMLROSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001079848598 1357400454 /nfs/dbraw/zinc/40/04/54/1357400454.db2.gz CXFHZZNYJSDJKM-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050633691 1348309419 /nfs/dbraw/zinc/30/94/19/1348309419.db2.gz ZKXZDSXEOJJBHP-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764311 1348351701 /nfs/dbraw/zinc/35/17/01/1348351701.db2.gz BJXMZHWRSSUFRC-HDICACEKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052377115 1348535403 /nfs/dbraw/zinc/53/54/03/1348535403.db2.gz NJRWMDLUJXYNML-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001052395206 1348539481 /nfs/dbraw/zinc/53/94/81/1348539481.db2.gz NAHYVMFKMFISPN-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447424 1348543708 /nfs/dbraw/zinc/54/37/08/1348543708.db2.gz DVMPCZOZZBSVFN-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)CC2)CC1 ZINC001052677856 1348626361 /nfs/dbraw/zinc/62/63/61/1348626361.db2.gz RYEZBDIBFGYHBV-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052712382 1348645007 /nfs/dbraw/zinc/64/50/07/1348645007.db2.gz HTFCLJOZXJUMFX-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717764 1348647005 /nfs/dbraw/zinc/64/70/05/1348647005.db2.gz ZFOXSDOWWNHRRU-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC001052766511 1348671122 /nfs/dbraw/zinc/67/11/22/1348671122.db2.gz FSKAEVHLATXKMX-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC001052819716 1348689556 /nfs/dbraw/zinc/68/95/56/1348689556.db2.gz IHWAIMAJEMPFQY-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052868801 1348710630 /nfs/dbraw/zinc/71/06/30/1348710630.db2.gz YEWRBMGHVZYUTC-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052937621 1348756668 /nfs/dbraw/zinc/75/66/68/1348756668.db2.gz MLEGINNVLBQEBE-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052955466 1348769140 /nfs/dbraw/zinc/76/91/40/1348769140.db2.gz GPUAGSVZBFQAPW-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053037358 1348837744 /nfs/dbraw/zinc/83/77/44/1348837744.db2.gz ZBHIRUZLKGAKKZ-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087672 1348911991 /nfs/dbraw/zinc/91/19/91/1348911991.db2.gz MWSINEPBPBXSNQ-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096766 1348926736 /nfs/dbraw/zinc/92/67/36/1348926736.db2.gz ZIOSRBXUDIDRDG-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054197612 1349199764 /nfs/dbraw/zinc/19/97/64/1349199764.db2.gz FVEDWQBGIVOFRU-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245528 1349239574 /nfs/dbraw/zinc/23/95/74/1349239574.db2.gz UXQNXMPPTTVSCA-OAQYLSRUSA-N 2 0 347.547 3.143 20 0 EGADRP CCC(CC)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259309 1349254823 /nfs/dbraw/zinc/25/48/23/1349254823.db2.gz UKJCKYROADPTTI-FQEVSTJZSA-N 2 0 343.515 3.149 20 0 EGADRP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264413 1349261656 /nfs/dbraw/zinc/26/16/56/1349261656.db2.gz DNNVMDPAMAWCTA-HXUWFJFHSA-N 2 0 343.515 3.147 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2C1 ZINC001054278899 1349280281 /nfs/dbraw/zinc/28/02/81/1349280281.db2.gz QPGXVYYKMRFBSC-WMZOPIPTSA-N 2 0 343.515 3.149 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054290011 1349293939 /nfs/dbraw/zinc/29/39/39/1349293939.db2.gz YNVIYHBTYZSVHY-YLJYHZDGSA-N 2 0 343.515 3.149 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001054297847 1349302373 /nfs/dbraw/zinc/30/23/73/1349302373.db2.gz JDCALBZVLJIVII-VAMGGRTRSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183040375 1387255354 /nfs/dbraw/zinc/25/53/54/1387255354.db2.gz RBGHHLKKHLMDKW-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001080556999 1357678534 /nfs/dbraw/zinc/67/85/34/1357678534.db2.gz AZMKJCVLVGVDCS-QRQLOZEOSA-N 2 0 349.563 3.122 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001088359248 1359842930 /nfs/dbraw/zinc/84/29/30/1359842930.db2.gz VDUDZJBOGQYDKM-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCCC1CCCC1 ZINC001071796672 1354941956 /nfs/dbraw/zinc/94/19/56/1354941956.db2.gz VNWUDWQRLFTNNI-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1=CCCCC1 ZINC001071821289 1354960638 /nfs/dbraw/zinc/96/06/38/1354960638.db2.gz MEOLKTLSNGOGFY-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071896246 1355011984 /nfs/dbraw/zinc/01/19/84/1355011984.db2.gz FGSQPFDIUOPQLG-VQIMIIECSA-N 2 0 331.504 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3=CCCCC3)C2)CC1 ZINC001071920479 1355025269 /nfs/dbraw/zinc/02/52/69/1355025269.db2.gz SCOFZWFQDLZQHG-AZUAARDMSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071972903 1355054003 /nfs/dbraw/zinc/05/40/03/1355054003.db2.gz CGIGTQXDPWXGNA-FXAWDEMLSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001072297341 1355227151 /nfs/dbraw/zinc/22/71/51/1355227151.db2.gz IPLCHTJXFYBZNX-HKUYNNGSSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462638 1355795980 /nfs/dbraw/zinc/79/59/80/1355795980.db2.gz VPBXULIFTIMLFX-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)C1CCC1 ZINC001074023822 1356040307 /nfs/dbraw/zinc/04/03/07/1356040307.db2.gz IMNKVXYYEHLKGQ-HXUWFJFHSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001074877912 1356276630 /nfs/dbraw/zinc/27/66/30/1356276630.db2.gz RRVSTXREXKLADI-LNLFQRSKSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001074877438 1356276817 /nfs/dbraw/zinc/27/68/17/1356276817.db2.gz BYNXGXWJYFZQSC-LNLFQRSKSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001074877436 1356276833 /nfs/dbraw/zinc/27/68/33/1356276833.db2.gz BYNXGXWJYFZQSC-AOIWGVFYSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C)c1ccccc1 ZINC001075128578 1356320844 /nfs/dbraw/zinc/32/08/44/1356320844.db2.gz GUXYOZLMFWXTPF-BJLQDIEVSA-N 2 0 343.515 3.203 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CC2)C1 ZINC001099239648 1363708744 /nfs/dbraw/zinc/70/87/44/1363708744.db2.gz IHNXHIQSNREYDZ-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405394 1358207667 /nfs/dbraw/zinc/20/76/67/1358207667.db2.gz LGUDQRQNTXKDBK-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701555 1358286673 /nfs/dbraw/zinc/28/66/73/1358286673.db2.gz IWSWOQSGKYKKSQ-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001323309993 1387332428 /nfs/dbraw/zinc/33/24/28/1387332428.db2.gz KKTPHIDDLXHCKD-UHFFFAOYSA-N 2 0 336.549 3.215 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085224922 1358437603 /nfs/dbraw/zinc/43/76/03/1358437603.db2.gz ARVMLHMMIRDUHD-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001085260640 1358445965 /nfs/dbraw/zinc/44/59/65/1358445965.db2.gz XPYVMHVWJJUVFA-RTBURBONSA-N 2 0 340.471 3.155 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085307038 1358461635 /nfs/dbraw/zinc/46/16/35/1358461635.db2.gz COLNXAVITTZRLD-VAMGGRTRSA-N 2 0 347.547 3.211 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085629001 1358646587 /nfs/dbraw/zinc/64/65/87/1358646587.db2.gz JMYLREFEWFRGRF-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639555 1358653125 /nfs/dbraw/zinc/65/31/25/1358653125.db2.gz RDHRTPSZRQEFQV-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725310 1358713813 /nfs/dbraw/zinc/71/38/13/1358713813.db2.gz SEKYINFNWCMEBH-OXJNMPFZSA-N 2 0 348.450 3.242 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001085778750 1358753560 /nfs/dbraw/zinc/75/35/60/1358753560.db2.gz GMHLEOBGVZRMLC-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085855889 1358822711 /nfs/dbraw/zinc/82/27/11/1358822711.db2.gz LZHIQLFOVNFHCJ-OALUTQOASA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001086090513 1358993213 /nfs/dbraw/zinc/99/32/13/1358993213.db2.gz CJAYONJXIDQWKK-RSPOEFSDSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001086091350 1358993456 /nfs/dbraw/zinc/99/34/56/1358993456.db2.gz SXNRWUHIBFXOSX-ZGXWSNOMSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086133990 1359005414 /nfs/dbraw/zinc/00/54/14/1359005414.db2.gz MTJYDSYTNJAZIR-HSALFYBXSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086180122 1359017117 /nfs/dbraw/zinc/01/71/17/1359017117.db2.gz ASTLTSFOCXDFKX-MAEOIBBWSA-N 2 0 347.503 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086278512 1359051763 /nfs/dbraw/zinc/05/17/63/1359051763.db2.gz ZETLGXRALUUQSF-ZCNNSNEGSA-N 2 0 347.547 3.236 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001086418426 1359092046 /nfs/dbraw/zinc/09/20/46/1359092046.db2.gz RLIXBQRVIGWZAS-SAABIXHNSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001086466746 1359108075 /nfs/dbraw/zinc/10/80/75/1359108075.db2.gz RYVFXSKPNUKERE-KESTWPANSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001086466546 1359108178 /nfs/dbraw/zinc/10/81/78/1359108178.db2.gz IWOHHYFETQHJBS-AJYBTWMASA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086497406 1359120440 /nfs/dbraw/zinc/12/04/40/1359120440.db2.gz KOLGEXFZRIMWJL-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086534116 1359135182 /nfs/dbraw/zinc/13/51/82/1359135182.db2.gz PPQIKAGLMOWDGI-WTGUMLROSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001183991574 1387379127 /nfs/dbraw/zinc/37/91/27/1387379127.db2.gz LMFSKEWAADVTFZ-YFVAEKQCSA-N 2 0 330.516 3.237 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001086875602 1359219249 /nfs/dbraw/zinc/21/92/49/1359219249.db2.gz YLQPLVGWXSCYSG-GBESFXJTSA-N 2 0 349.563 3.029 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957255 1359278375 /nfs/dbraw/zinc/27/83/75/1359278375.db2.gz IUGNZIVZBSMCAW-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC(C)(C)C ZINC001087750204 1359627384 /nfs/dbraw/zinc/62/73/84/1359627384.db2.gz XVHSILGDJSJKSJ-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CC1CCCCC1 ZINC001087840682 1359675070 /nfs/dbraw/zinc/67/50/70/1359675070.db2.gz JCOSPAIMHJCGFG-XUVXKRRUSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088280728 1359825550 /nfs/dbraw/zinc/82/55/50/1359825550.db2.gz YOVPWRKCNJSZIR-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1)[NH+](C)C ZINC001088377002 1359859402 /nfs/dbraw/zinc/85/94/02/1359859402.db2.gz XEVUUCSEZOVTKH-WOJBJXKFSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088381633 1359865318 /nfs/dbraw/zinc/86/53/18/1359865318.db2.gz JEODMZPGRCCHDO-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088381492 1359865401 /nfs/dbraw/zinc/86/54/01/1359865401.db2.gz FYSJEGABSXCKBH-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1 ZINC001088411908 1359883451 /nfs/dbraw/zinc/88/34/51/1359883451.db2.gz SVCRQAUYFDZFEV-OALUTQOASA-N 2 0 337.552 3.410 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001088426508 1359894894 /nfs/dbraw/zinc/89/48/94/1359894894.db2.gz WVNPAHSXNHYAFT-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088431264 1359898799 /nfs/dbraw/zinc/89/87/99/1359898799.db2.gz NZNHJCYPBFGPTK-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431485 1359899000 /nfs/dbraw/zinc/89/90/00/1359899000.db2.gz XNBUJJOQJHKJHC-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001088567364 1359977203 /nfs/dbraw/zinc/97/72/03/1359977203.db2.gz JKZGTNIGLPROCC-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088692870 1360013982 /nfs/dbraw/zinc/01/39/82/1360013982.db2.gz BBNUSQVFDMSFGF-NEWSRXKRSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001088792080 1360046499 /nfs/dbraw/zinc/04/64/99/1360046499.db2.gz UAHCDKBSQNRDDM-CHPDAQJUSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001088792478 1360046712 /nfs/dbraw/zinc/04/67/12/1360046712.db2.gz PSWBYFODEPNWBO-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897753 1360097164 /nfs/dbraw/zinc/09/71/64/1360097164.db2.gz VYIWWBTXXJOWGK-LMMKCTJWSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001089061091 1360152172 /nfs/dbraw/zinc/15/21/72/1360152172.db2.gz XSJIRPKYILQCOX-HOJAQTOUSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001089060949 1360152789 /nfs/dbraw/zinc/15/27/89/1360152789.db2.gz PAPKUIWKRSVXLP-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001089215584 1360261382 /nfs/dbraw/zinc/26/13/82/1360261382.db2.gz TZMCNQVVRSINHZ-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383405 1360385582 /nfs/dbraw/zinc/38/55/82/1360385582.db2.gz YCFANCNTTFZFBA-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407476 1360405888 /nfs/dbraw/zinc/40/58/88/1360405888.db2.gz ZYKNVVZEBWUQKB-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089428561 1360420214 /nfs/dbraw/zinc/42/02/14/1360420214.db2.gz ZGQZDYAUXZSVIV-MSOLQXFVSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446637 1360435461 /nfs/dbraw/zinc/43/54/61/1360435461.db2.gz YNBNLHHDFTZHLM-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509938 1360481301 /nfs/dbraw/zinc/48/13/01/1360481301.db2.gz KUYVXWOCLRSUSE-LJQANCHMSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCC2)CC[N@@H+]1C ZINC001089642202 1360555380 /nfs/dbraw/zinc/55/53/80/1360555380.db2.gz DZMOJEZXWNCPNT-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089660762 1360572025 /nfs/dbraw/zinc/57/20/25/1360572025.db2.gz PSHJEWXWORTVPT-INIZCTEOSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091112154 1360993739 /nfs/dbraw/zinc/99/37/39/1360993739.db2.gz JPWCVZWCSMDZIG-NKELODKYSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001091201851 1361005709 /nfs/dbraw/zinc/00/57/09/1361005709.db2.gz KFEWMKPBBBGADS-VHBXLISGSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184557215 1387491635 /nfs/dbraw/zinc/49/16/35/1387491635.db2.gz UHEYPCQXOFTMGN-PXEQJPNCSA-N 2 0 349.563 3.291 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)C1)C1CCCCC1 ZINC001184609794 1387499983 /nfs/dbraw/zinc/49/99/83/1387499983.db2.gz UIRDFQPBTRKIGD-QGZVFWFLSA-N 2 0 349.544 3.093 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)CCCC1 ZINC001184628339 1387501470 /nfs/dbraw/zinc/50/14/70/1387501470.db2.gz JANBYWUEVZRQQB-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736781 1361451058 /nfs/dbraw/zinc/45/10/58/1361451058.db2.gz YJAOJJVJGBOTCU-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001094449915 1361804972 /nfs/dbraw/zinc/80/49/72/1361804972.db2.gz ZDPAHVJVMKHPCH-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC)CC3)o1 ZINC001094587734 1361873018 /nfs/dbraw/zinc/87/30/18/1361873018.db2.gz RARJNPHJAUYAEK-UYAOXDASSA-N 2 0 347.503 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095863590 1362258260 /nfs/dbraw/zinc/25/82/60/1362258260.db2.gz WBVVCFWPHHMILJ-SQNIBIBYSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001184936109 1387566079 /nfs/dbraw/zinc/56/60/79/1387566079.db2.gz ZKLXISLXFQSEOT-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001096015768 1362335241 /nfs/dbraw/zinc/33/52/41/1362335241.db2.gz RPAOTMFVHPQKEL-RNQOJCNYSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218863 1362890194 /nfs/dbraw/zinc/89/01/94/1362890194.db2.gz LPLOJFYPPFKVRW-ZRNYENFQSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097220365 1362890437 /nfs/dbraw/zinc/89/04/37/1362890437.db2.gz PWUGDPVEPHCTSK-MANSERQUSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097974341 1363185371 /nfs/dbraw/zinc/18/53/71/1363185371.db2.gz IJXGUTNLEISZDN-YRXWBPOGSA-N 2 0 349.563 3.407 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC1 ZINC001097975733 1363186238 /nfs/dbraw/zinc/18/62/38/1363186238.db2.gz BBWHMVACBXOPCK-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001098463957 1363333359 /nfs/dbraw/zinc/33/33/59/1363333359.db2.gz IYMYKLQRSIYIIF-AKHDSKFASA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821407 1363482095 /nfs/dbraw/zinc/48/20/95/1363482095.db2.gz PAKUWSDCRVXCDL-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837438 1363487251 /nfs/dbraw/zinc/48/72/51/1363487251.db2.gz PTLOPGRSFSCKOQ-LQWHRVPQSA-N 2 0 347.547 3.020 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110720 1363628387 /nfs/dbraw/zinc/62/83/87/1363628387.db2.gz HJMFAJNRFWAPRM-RURPWVQCSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110718 1363628660 /nfs/dbraw/zinc/62/86/60/1363628660.db2.gz HJMFAJNRFWAPRM-LIXSYLKWSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111140 1363629075 /nfs/dbraw/zinc/62/90/75/1363629075.db2.gz SEINFRSGBHRIBL-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099131043 1363643824 /nfs/dbraw/zinc/64/38/24/1363643824.db2.gz VYWJRYIMUDWROH-QGZVFWFLSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+](CC)CC ZINC001099228974 1363702490 /nfs/dbraw/zinc/70/24/90/1363702490.db2.gz FGYPXLRMTYMXDY-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001099251376 1363713410 /nfs/dbraw/zinc/71/34/10/1363713410.db2.gz JFZAKMHRBKGZGD-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099299020 1363737881 /nfs/dbraw/zinc/73/78/81/1363737881.db2.gz QQGDOOZNEBEDJY-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C[C@H](F)CC ZINC001099320972 1363748176 /nfs/dbraw/zinc/74/81/76/1363748176.db2.gz NIHOVTWLFSXCFN-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099338822 1363758604 /nfs/dbraw/zinc/75/86/04/1363758604.db2.gz ATCWZPXKMVPZBB-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548612 1363841872 /nfs/dbraw/zinc/84/18/72/1363841872.db2.gz YGJKHHYDICINHG-YRPNKDGESA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548611 1363842093 /nfs/dbraw/zinc/84/20/93/1363842093.db2.gz YGJKHHYDICINHG-NMLBUPMWSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548179 1363842228 /nfs/dbraw/zinc/84/22/28/1363842228.db2.gz QZBOQGNEWGYLCV-NMLBUPMWSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406723 1364104148 /nfs/dbraw/zinc/10/41/48/1364104148.db2.gz KJOHPSIVGGKKBS-MZCYRKOTSA-N 2 0 335.536 3.090 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001100467731 1364125779 /nfs/dbraw/zinc/12/57/79/1364125779.db2.gz MCIJIFTYDKKBBE-UHFFFAOYSA-N 2 0 342.487 3.177 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185261850 1387662965 /nfs/dbraw/zinc/66/29/65/1387662965.db2.gz YJXRMTROXVZSMY-XZZFYQAUSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537485 1364151293 /nfs/dbraw/zinc/15/12/93/1364151293.db2.gz WALMAZYCHLVKAC-WWDZGPRUSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100538260 1364151546 /nfs/dbraw/zinc/15/15/46/1364151546.db2.gz LLNPAYBYXUQFFC-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001100617185 1364191529 /nfs/dbraw/zinc/19/15/29/1364191529.db2.gz HOYLAGJGLKOQNM-UHFFFAOYSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001100850214 1364290888 /nfs/dbraw/zinc/29/08/88/1364290888.db2.gz UZAXMXZLSZIBFB-UHFFFAOYSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100857999 1364295279 /nfs/dbraw/zinc/29/52/79/1364295279.db2.gz ADHJNRZGSXXTSD-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100860033 1364296228 /nfs/dbraw/zinc/29/62/28/1364296228.db2.gz NRZACWWQWPSPNM-LYBXBRPPSA-N 2 0 345.531 3.354 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001101028005 1364380800 /nfs/dbraw/zinc/38/08/00/1364380800.db2.gz WCDDKBGTWANUOE-AATRIKPKSA-N 2 0 343.515 3.203 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271738 1364493425 /nfs/dbraw/zinc/49/34/25/1364493425.db2.gz UTEYTAIQKUNYMC-DYXWJJEUSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365727 1364529884 /nfs/dbraw/zinc/52/98/84/1364529884.db2.gz GVTRXCNEGXTVOR-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001101381213 1364538362 /nfs/dbraw/zinc/53/83/62/1364538362.db2.gz GMIAWCPHJJPLHF-SBHAEUEKSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001101582297 1364634915 /nfs/dbraw/zinc/63/49/15/1364634915.db2.gz JGYAABZLKFLUKO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1 ZINC001101583077 1364635196 /nfs/dbraw/zinc/63/51/96/1364635196.db2.gz CVGKYKCRKIQCFT-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001101590313 1364641297 /nfs/dbraw/zinc/64/12/97/1364641297.db2.gz KQLPIPIHGQKTES-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001101597259 1364647719 /nfs/dbraw/zinc/64/77/19/1364647719.db2.gz BUAKBCPUQNNFSC-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114858 1364866074 /nfs/dbraw/zinc/86/60/74/1364866074.db2.gz HATZVBHWNQPGAJ-VJQBDMSCSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC001185401599 1387705558 /nfs/dbraw/zinc/70/55/58/1387705558.db2.gz ULGIOQNXLSJETE-OXJNMPFZSA-N 2 0 339.483 3.043 20 0 EGADRP CCCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189915 1364923959 /nfs/dbraw/zinc/92/39/59/1364923959.db2.gz ICWGRPMLEWHUFJ-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366997 1365025678 /nfs/dbraw/zinc/02/56/78/1365025678.db2.gz XRCFQMOJEWSKLF-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185515193 1387736093 /nfs/dbraw/zinc/73/60/93/1387736093.db2.gz CZXGSESQLZYUDL-SJORKVTESA-N 2 0 346.519 3.026 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103149598 1365410821 /nfs/dbraw/zinc/41/08/21/1365410821.db2.gz DDGQFKOPKBNUDT-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001103168753 1365418833 /nfs/dbraw/zinc/41/88/33/1365418833.db2.gz WDAOVZSTBKVLNS-IAGOWNOFSA-N 2 0 337.552 3.122 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)c1 ZINC001103398284 1365535607 /nfs/dbraw/zinc/53/56/07/1365535607.db2.gz LKUFAGVMNRJXII-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C)C(C)C ZINC001103544493 1365625298 /nfs/dbraw/zinc/62/52/98/1365625298.db2.gz VBGUGPBTRNLEQO-QRVBRYPASA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598469 1365664150 /nfs/dbraw/zinc/66/41/50/1365664150.db2.gz NRHODMWSHCGSRX-UYAOXDASSA-N 2 0 349.563 3.147 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001103662745 1365710689 /nfs/dbraw/zinc/71/06/89/1365710689.db2.gz OHHCBBRYKHEEGK-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001103662782 1365710853 /nfs/dbraw/zinc/71/08/53/1365710853.db2.gz QHKLYRUGNNLTQX-IEBWSBKVSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)[NH+](CC)CC ZINC001185609181 1387760346 /nfs/dbraw/zinc/76/03/46/1387760346.db2.gz FGUBNQNNHHPWSU-UXCKKACVSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104185499 1365941604 /nfs/dbraw/zinc/94/16/04/1365941604.db2.gz GEZJRKTVSWRXCS-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001185682652 1387776798 /nfs/dbraw/zinc/77/67/98/1387776798.db2.gz SDMIFAYRKZYZEP-UYAOXDASSA-N 2 0 347.547 3.047 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264741 1365971778 /nfs/dbraw/zinc/97/17/78/1365971778.db2.gz CDFPDLTXCIFWKF-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385398 1365997493 /nfs/dbraw/zinc/99/74/93/1365997493.db2.gz TXELEIAGYYDBTR-NYQZOWANSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001104860921 1366201947 /nfs/dbraw/zinc/20/19/47/1366201947.db2.gz PZGGLTATBQKPTD-UYAOXDASSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001185779646 1387797970 /nfs/dbraw/zinc/79/79/70/1387797970.db2.gz QFWSANOLXOLEEQ-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001105064139 1366302354 /nfs/dbraw/zinc/30/23/54/1366302354.db2.gz ZGZSVJXMBVFAIW-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067402 1366304632 /nfs/dbraw/zinc/30/46/32/1366304632.db2.gz ZEYQHSOLNCSCBW-AQNXPRMDSA-N 2 0 349.563 3.147 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396647 1366445160 /nfs/dbraw/zinc/44/51/60/1366445160.db2.gz RJEDFWQJXNUYPV-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCC1 ZINC001105541562 1366520133 /nfs/dbraw/zinc/52/01/33/1366520133.db2.gz DOSQCVRBYATINO-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544321 1366521147 /nfs/dbraw/zinc/52/11/47/1366521147.db2.gz HGWXRODNHQBGMH-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105562141 1366531828 /nfs/dbraw/zinc/53/18/28/1366531828.db2.gz XGHWWXSWURDZLL-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001105568804 1366537022 /nfs/dbraw/zinc/53/70/22/1366537022.db2.gz ZOXLKHFEPFDPOD-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106111713 1366612440 /nfs/dbraw/zinc/61/24/40/1366612440.db2.gz PYCCWRXHMGZWTO-FBYXPACISA-N 2 0 349.563 3.290 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479730 1366707808 /nfs/dbraw/zinc/70/78/08/1366707808.db2.gz OMSYCGZLDBRCRM-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673376 1366770525 /nfs/dbraw/zinc/77/05/25/1366770525.db2.gz XAPYDJDPKOUBIA-RKQNLGICSA-N 2 0 337.552 3.005 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860141 1366818306 /nfs/dbraw/zinc/81/83/06/1366818306.db2.gz KYXFMXWQFPGYPL-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106860381 1366818499 /nfs/dbraw/zinc/81/84/99/1366818499.db2.gz WZTQQPRZWXRRRF-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106910709 1366830427 /nfs/dbraw/zinc/83/04/27/1366830427.db2.gz KZBHYNJXXWJDOS-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040498 1366863861 /nfs/dbraw/zinc/86/38/61/1366863861.db2.gz GZNYIVXYEJYINO-CEXWTWQISA-N 2 0 345.531 3.080 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C)c1ccccc1 ZINC001107042676 1366863930 /nfs/dbraw/zinc/86/39/30/1366863930.db2.gz XSKKDILTUDLYJL-MISYRCLQSA-N 2 0 345.531 3.162 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328995 1366930208 /nfs/dbraw/zinc/93/02/08/1366930208.db2.gz DTBXDMLFAGSGRQ-SKCPSPIOSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484996 1366986795 /nfs/dbraw/zinc/98/67/95/1366986795.db2.gz DKVAJHMXDJFXNR-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001107524308 1367017542 /nfs/dbraw/zinc/01/75/42/1367017542.db2.gz RYQSZMNQQQBIPY-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107529781 1367023393 /nfs/dbraw/zinc/02/33/93/1367023393.db2.gz CTHZFFFZZNBLIO-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554031 1367040084 /nfs/dbraw/zinc/04/00/84/1367040084.db2.gz VMNWGXGJQBIVHI-RHGXJLFNSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554855 1367041049 /nfs/dbraw/zinc/04/10/49/1367041049.db2.gz NCBDRQXOIVZHNI-NLWGTHIKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001107582427 1367056774 /nfs/dbraw/zinc/05/67/74/1367056774.db2.gz DGIQDCZEBJDPEH-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646713 1367091298 /nfs/dbraw/zinc/09/12/98/1367091298.db2.gz RQMNPGSEJFMFDX-UYAOXDASSA-N 2 0 337.552 3.124 20 0 EGADRP CCc1cccc(C)c1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001189967214 1367140986 /nfs/dbraw/zinc/14/09/86/1367140986.db2.gz CWYQPEVIVWIBFZ-UHFFFAOYSA-N 2 0 348.535 3.295 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001109471652 1367144363 /nfs/dbraw/zinc/14/43/63/1367144363.db2.gz DYIIXBWZVFSAAU-QYZOEREBSA-N 2 0 347.547 3.161 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001109473007 1367145057 /nfs/dbraw/zinc/14/50/57/1367145057.db2.gz QWRQDXQIYSRXRV-MNEFBYGVSA-N 2 0 340.471 3.168 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190175395 1367191856 /nfs/dbraw/zinc/19/18/56/1367191856.db2.gz JTZCFWZSRUKGIR-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212565 1367200505 /nfs/dbraw/zinc/20/05/05/1367200505.db2.gz FSOZMEGHSMEFHL-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643632 1367260279 /nfs/dbraw/zinc/26/02/79/1367260279.db2.gz SCHVTNBJYOUOSE-NECFDHOKSA-N 2 0 347.547 3.185 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480581 1367273462 /nfs/dbraw/zinc/27/34/62/1367273462.db2.gz DKOOESUSFHPYPL-YIYNPQHWSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H](c1cccc(Cl)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672568 1367275042 /nfs/dbraw/zinc/27/50/42/1367275042.db2.gz KRRIGVNNPZDBIL-NBMRYCAZSA-N 2 0 349.906 3.074 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109721475 1367292634 /nfs/dbraw/zinc/29/26/34/1367292634.db2.gz GJGSPLBGQGRXQR-SQNIBIBYSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190655154 1367318580 /nfs/dbraw/zinc/31/85/80/1367318580.db2.gz OATPXGRFPTYURY-RTBURBONSA-N 2 0 337.552 3.362 20 0 EGADRP CCc1cccc(C[NH+](C)[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)c1 ZINC001191019600 1367404231 /nfs/dbraw/zinc/40/42/31/1367404231.db2.gz NUVORXUCNHJTFQ-LJQANCHMSA-N 2 0 345.531 3.012 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001191029912 1367406108 /nfs/dbraw/zinc/40/61/08/1367406108.db2.gz PCYCMKSVVRHLRS-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001109932547 1367410595 /nfs/dbraw/zinc/41/05/95/1367410595.db2.gz MAABLFOAWSPFJX-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515664 1367519777 /nfs/dbraw/zinc/51/97/77/1367519777.db2.gz TYQMRBJPBTUIFL-LJQANCHMSA-N 2 0 345.531 3.127 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+](C)CC3CCCC3)C2)CCCCC1 ZINC001191542861 1367525520 /nfs/dbraw/zinc/52/55/20/1367525520.db2.gz JGEQZBMNWIITOT-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148101 1367525975 /nfs/dbraw/zinc/52/59/75/1367525975.db2.gz ISYBUCGRJFFJCA-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153988 1367527431 /nfs/dbraw/zinc/52/74/31/1367527431.db2.gz WEZFEFLXKSBMGK-ZRNYENFQSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159603 1367531935 /nfs/dbraw/zinc/53/19/35/1367531935.db2.gz SODAOIOUDSKFMJ-JYBIWHBTSA-N 2 0 343.515 3.118 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161837 1367534674 /nfs/dbraw/zinc/53/46/74/1367534674.db2.gz VAQTWMOHZCSMGV-YDZRNGNQSA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704884 1367544579 /nfs/dbraw/zinc/54/45/79/1367544579.db2.gz UCUAWZIVLDWILO-GEHBYACWSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719638 1367555514 /nfs/dbraw/zinc/55/55/14/1367555514.db2.gz WJEUMEQWIJETKF-OTWHNJEPSA-N 2 0 347.547 3.020 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764082 1367580167 /nfs/dbraw/zinc/58/01/67/1367580167.db2.gz DHDPHGFPXQPKAG-BKFNIVOESA-N 2 0 349.563 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)CCCC(C)C)C2)C1 ZINC001191921415 1367639663 /nfs/dbraw/zinc/63/96/63/1367639663.db2.gz CKHCYZIEYCEDBG-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001192047049 1367674402 /nfs/dbraw/zinc/67/44/02/1367674402.db2.gz QPDUZRBMLXUUGI-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110550407 1367826782 /nfs/dbraw/zinc/82/67/82/1367826782.db2.gz OZYRVYPNMSWUOD-YRXWBPOGSA-N 2 0 335.536 3.017 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566978 1367837631 /nfs/dbraw/zinc/83/76/31/1367837631.db2.gz SNLSKOREEWAAFI-KURKYZTESA-N 2 0 335.536 3.163 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1)C(C)C ZINC001192923933 1367905850 /nfs/dbraw/zinc/90/58/50/1367905850.db2.gz QKTFWVHNCNTUGT-WOJBJXKFSA-N 2 0 349.563 3.386 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001192968738 1367913579 /nfs/dbraw/zinc/91/35/79/1367913579.db2.gz CCJFFVUFKBHJAH-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857976 1368037955 /nfs/dbraw/zinc/03/79/55/1368037955.db2.gz ZDXVKYHDTICRFG-QRVBRYPASA-N 2 0 347.547 3.186 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001193610127 1368073840 /nfs/dbraw/zinc/07/38/40/1368073840.db2.gz LSSGSQULNWFONF-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962013 1368126603 /nfs/dbraw/zinc/12/66/03/1368126603.db2.gz KBBCCURYQJTDOF-ZRNYENFQSA-N 2 0 343.515 3.201 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081458 1368178957 /nfs/dbraw/zinc/17/89/57/1368178957.db2.gz PMPDXHHSXQVVPT-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC1CCC(C[N@H+](C)[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001194229625 1368213231 /nfs/dbraw/zinc/21/32/31/1368213231.db2.gz ZABLXLLTZJKGFY-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293566 1368225389 /nfs/dbraw/zinc/22/53/89/1368225389.db2.gz IBXMGYBGUYWFCJ-MOPGFXCFSA-N 2 0 349.494 3.150 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429101 1368259459 /nfs/dbraw/zinc/25/94/59/1368259459.db2.gz FGGHZXZTSINNPJ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429850 1368259643 /nfs/dbraw/zinc/25/96/43/1368259643.db2.gz NZCJDBANDXNITJ-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454135 1368310198 /nfs/dbraw/zinc/31/01/98/1368310198.db2.gz MUSOBRRJWVDMAZ-GESBFJBKSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001111457652 1368310610 /nfs/dbraw/zinc/31/06/10/1368310610.db2.gz IFWQFKOAXOUQIG-AQNXPRMDSA-N 2 0 347.547 3.164 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891187 1368536471 /nfs/dbraw/zinc/53/64/71/1368536471.db2.gz IOOLZSYAUIWHCA-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196060509 1368542234 /nfs/dbraw/zinc/54/22/34/1368542234.db2.gz YMCGQJGJLHDILI-OVKVCFKUSA-N 2 0 335.536 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC(C)CC1)C2 ZINC001111926658 1368563838 /nfs/dbraw/zinc/56/38/38/1368563838.db2.gz BIWPPKIGWJDNNV-XSNSTOHYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001111927047 1368564162 /nfs/dbraw/zinc/56/41/62/1368564162.db2.gz WEWCNOKQORJMCD-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@@H+]2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001196943817 1368717865 /nfs/dbraw/zinc/71/78/65/1368717865.db2.gz SVQDQQNLUYGOLP-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197181198 1368760832 /nfs/dbraw/zinc/76/08/32/1368760832.db2.gz TVIHYQINITVHFK-CMDGGOBGSA-N 2 0 337.552 3.245 20 0 EGADRP C[N@H+](CC(=O)N1CCC[NH+](CC2CC3(CCC3)C2)CC1)CC(C)(C)C ZINC001197187781 1368761969 /nfs/dbraw/zinc/76/19/69/1368761969.db2.gz MERJILRADJZRKB-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448237 1368816599 /nfs/dbraw/zinc/81/65/99/1368816599.db2.gz RUDFKIGOERPMGS-WAYWQWQTSA-N 2 0 343.515 3.252 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](C[C@@H](C)CC)CC1 ZINC001197478578 1368823305 /nfs/dbraw/zinc/82/33/05/1368823305.db2.gz YRTXIFVSGRIWFB-SFHVURJKSA-N 2 0 325.541 3.079 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510441 1368830355 /nfs/dbraw/zinc/83/03/55/1368830355.db2.gz BGGKNWUZEBUACE-IBGZPJMESA-N 2 0 349.494 3.153 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001197794888 1368899428 /nfs/dbraw/zinc/89/94/28/1368899428.db2.gz OCHYKLVMVHATSI-UHFFFAOYSA-N 2 0 339.568 3.469 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112529650 1368916121 /nfs/dbraw/zinc/91/61/21/1368916121.db2.gz JCLAHJQFNMQIPM-WFXMLNOXSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197871696 1368917137 /nfs/dbraw/zinc/91/71/37/1368917137.db2.gz XCQWSBHBFWUWAY-SFHVURJKSA-N 2 0 331.504 3.014 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540219 1368920748 /nfs/dbraw/zinc/92/07/48/1368920748.db2.gz LQGDJGFLIMBAIM-ZVDOUQERSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1 ZINC001112547558 1368922581 /nfs/dbraw/zinc/92/25/81/1368922581.db2.gz ZIGMHOUDVPIOHK-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198259879 1368992016 /nfs/dbraw/zinc/99/20/16/1368992016.db2.gz SMXGRKVTYGEODR-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198259468 1368992420 /nfs/dbraw/zinc/99/24/20/1368992420.db2.gz MCTOWILEHUEIBI-LIXSYLKWSA-N 2 0 335.536 3.142 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605205 1387983570 /nfs/dbraw/zinc/98/35/70/1387983570.db2.gz LMGIBSRYIOVLRE-SFHVURJKSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598061 1387981808 /nfs/dbraw/zinc/98/18/08/1387981808.db2.gz NXGFNHGBUYKBHI-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577996 1369393755 /nfs/dbraw/zinc/39/37/55/1369393755.db2.gz JNELMWDLDRIYNJ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001113439791 1369429990 /nfs/dbraw/zinc/42/99/90/1369429990.db2.gz VETYSGWNKOQJHU-LJQANCHMSA-N 2 0 339.568 3.325 20 0 EGADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201230532 1369499799 /nfs/dbraw/zinc/49/97/99/1369499799.db2.gz UBPJLKKGPJFONK-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001201321732 1369518729 /nfs/dbraw/zinc/51/87/29/1369518729.db2.gz VFFZBJDGWGBGFX-KRWDZBQOSA-N 2 0 345.531 3.367 20 0 EGADRP CCc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC2)cc1 ZINC001201328044 1369521670 /nfs/dbraw/zinc/52/16/70/1369521670.db2.gz UVHIPTZSAKIZSV-UHFFFAOYSA-N 2 0 345.531 3.060 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434866 1369544765 /nfs/dbraw/zinc/54/47/65/1369544765.db2.gz LRAUHSAGFRDPNE-IBGZPJMESA-N 2 0 345.531 3.431 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201527929 1369566425 /nfs/dbraw/zinc/56/64/25/1369566425.db2.gz FKBQWULTSPRNKM-WOJBJXKFSA-N 2 0 331.504 3.041 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201620974 1369592306 /nfs/dbraw/zinc/59/23/06/1369592306.db2.gz VHHZCPAYMYYCOE-AABGKKOBSA-N 2 0 330.520 3.104 20 0 EGADRP COc1cccc2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)cnc21 ZINC001201658227 1369597879 /nfs/dbraw/zinc/59/78/79/1369597879.db2.gz UXUPJHHSHOJSKI-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP COc1ccc(Cl)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201658475 1369598053 /nfs/dbraw/zinc/59/80/53/1369598053.db2.gz AKDIRMQGORXNAO-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(N4CCCC4)cc3)cc[nH+]2)CC1 ZINC001201658846 1369598628 /nfs/dbraw/zinc/59/86/28/1369598628.db2.gz KMQOISLWDQGVKU-UHFFFAOYSA-N 2 0 337.471 3.177 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc4ccccc4cc3O)cc[nH+]2)CC1 ZINC001201666432 1369602069 /nfs/dbraw/zinc/60/20/69/1369602069.db2.gz SBJDJPULKSDFIW-UHFFFAOYSA-N 2 0 334.423 3.436 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201801755 1369626439 /nfs/dbraw/zinc/62/64/39/1369626439.db2.gz PKQUGWBBBWCXGY-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC1CC(C[NH2+]C2CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)C1 ZINC001201817866 1369628467 /nfs/dbraw/zinc/62/84/67/1369628467.db2.gz FRZYXPMIXMPASU-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccc(C[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001202217434 1369716155 /nfs/dbraw/zinc/71/61/55/1369716155.db2.gz OLILQGRBPYCDTN-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP C[N@H+](CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1)CC(C)(C)C ZINC001202540084 1369802379 /nfs/dbraw/zinc/80/23/79/1369802379.db2.gz TYAPYEHCPZDLIL-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001202763424 1369883402 /nfs/dbraw/zinc/88/34/02/1369883402.db2.gz DBKXPRFNSHVNOU-XDXAGZTOSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202764499 1369883406 /nfs/dbraw/zinc/88/34/06/1369883406.db2.gz NZKVVZCIHBKCFE-UEKDZROGSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202863793 1369910608 /nfs/dbraw/zinc/91/06/08/1369910608.db2.gz NAPVMCGNUVDVSD-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186975368 1388033792 /nfs/dbraw/zinc/03/37/92/1388033792.db2.gz MTEJDSCWXSPURE-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203103248 1369983774 /nfs/dbraw/zinc/98/37/74/1369983774.db2.gz KOKOAPFAIFSXLU-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115168 1369987915 /nfs/dbraw/zinc/98/79/15/1369987915.db2.gz SOLQLZVDIIUIQR-ROUUACIJSA-N 2 0 347.547 3.212 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@@H]([NH2+]CC3CCC3)C23CCC3)CCCC1 ZINC001203228872 1370032359 /nfs/dbraw/zinc/03/23/59/1370032359.db2.gz CDHUXQGHKLXGJG-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230614 1370033110 /nfs/dbraw/zinc/03/31/10/1370033110.db2.gz OLWIXRGFDKCFSK-ZWKOTPCHSA-N 2 0 349.563 3.458 20 0 EGADRP CCc1nc(C)c(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)[nH]1 ZINC001203240871 1370036171 /nfs/dbraw/zinc/03/61/71/1370036171.db2.gz LLHVGVCRDCOIEC-UHFFFAOYSA-N 2 0 347.466 3.338 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001203283654 1370061667 /nfs/dbraw/zinc/06/16/67/1370061667.db2.gz UWPDQRWEZIXVGI-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001203312867 1370077724 /nfs/dbraw/zinc/07/77/24/1370077724.db2.gz JRIHZMVPAAYXGI-KRWDZBQOSA-N 2 0 343.531 3.217 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH2+]CCC(C)C)CC1)c1ccccc1 ZINC001203313146 1370078039 /nfs/dbraw/zinc/07/80/39/1370078039.db2.gz MHDSWKSWIWMPDF-HXUWFJFHSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1ccc(C[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)c(C)c1 ZINC001203407046 1370114834 /nfs/dbraw/zinc/11/48/34/1370114834.db2.gz BCWLRGNTIWWBEW-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203523281 1370154332 /nfs/dbraw/zinc/15/43/32/1370154332.db2.gz QAORIKUEWHCDHM-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540065 1370161334 /nfs/dbraw/zinc/16/13/34/1370161334.db2.gz SVEWWQVVZOGQOE-OALUTQOASA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203606900 1370186072 /nfs/dbraw/zinc/18/60/72/1370186072.db2.gz SEOYMEAPCVGGBQ-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203629931 1370192831 /nfs/dbraw/zinc/19/28/31/1370192831.db2.gz DVXBYMNWVIGYJG-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203632786 1370194605 /nfs/dbraw/zinc/19/46/05/1370194605.db2.gz VGUJYPFTBVQBJJ-ZSQQTYLHSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203641217 1370198000 /nfs/dbraw/zinc/19/80/00/1370198000.db2.gz PMVUQKYQQZNMCO-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203652546 1370202302 /nfs/dbraw/zinc/20/23/02/1370202302.db2.gz VMPOCZCWJQYDTD-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203744038 1370246286 /nfs/dbraw/zinc/24/62/86/1370246286.db2.gz WSZAWUARBNOABU-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203791218 1370266100 /nfs/dbraw/zinc/26/61/00/1370266100.db2.gz FKEWSDCGQGYGRB-RTBURBONSA-N 2 0 347.547 3.234 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001115111446 1370286060 /nfs/dbraw/zinc/28/60/60/1370286060.db2.gz QDVVFCGXHVDZHD-FJMMXEOOSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203853301 1370290024 /nfs/dbraw/zinc/29/00/24/1370290024.db2.gz PXKGUWKOYCERMC-ROUUACIJSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cc(C[NH2+]C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)cs1 ZINC001203889074 1370299989 /nfs/dbraw/zinc/29/99/89/1370299989.db2.gz UUEIVQPTMZSQSA-UHFFFAOYSA-N 2 0 349.544 3.013 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904376 1370308776 /nfs/dbraw/zinc/30/87/76/1370308776.db2.gz UFONVKDGUMGQMM-XJDXJNMNSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204062655 1370365070 /nfs/dbraw/zinc/36/50/70/1370365070.db2.gz QDMJLNWPDWQKKG-ARJAWSKDSA-N 2 0 335.536 3.189 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115306200 1370370831 /nfs/dbraw/zinc/37/08/31/1370370831.db2.gz KELPJYSGFJYQLE-NMLBUPMWSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001187202076 1388070415 /nfs/dbraw/zinc/07/04/15/1388070415.db2.gz RAROWTNIJAVHLY-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP Fc1cc(F)cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001204227611 1370415787 /nfs/dbraw/zinc/41/57/87/1370415787.db2.gz MQVMLILCSYJABK-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CCCOC3)CC2)cc1 ZINC001204270623 1370428164 /nfs/dbraw/zinc/42/81/64/1370428164.db2.gz AUWOXPCNZMSTAN-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+](CCO)Cc2cccs2)cc1 ZINC001204269018 1370428235 /nfs/dbraw/zinc/42/82/35/1370428235.db2.gz SUOMYVCVXSACDB-UHFFFAOYSA-N 2 0 348.512 3.073 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCCCC1 ZINC001115450567 1370458352 /nfs/dbraw/zinc/45/83/52/1370458352.db2.gz FZUPNKOHCRSWMD-LJQANCHMSA-N 2 0 347.547 3.380 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCCC1 ZINC001115450648 1370459235 /nfs/dbraw/zinc/45/92/35/1370459235.db2.gz IWSZJFVGZDPOST-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1c(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cnn1C ZINC001204569272 1370518266 /nfs/dbraw/zinc/51/82/66/1370518266.db2.gz PCKXKBYGAXGVAI-IBGZPJMESA-N 2 0 342.487 3.198 20 0 EGADRP Clc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1ccnc1 ZINC001204742653 1370561663 /nfs/dbraw/zinc/56/16/63/1370561663.db2.gz PTUSLBPHXMABRL-UHFFFAOYSA-N 2 0 344.890 3.491 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCCCC1 ZINC001115563420 1370563265 /nfs/dbraw/zinc/56/32/65/1370563265.db2.gz UDZKJOQUPHOWSH-SJORKVTESA-N 2 0 341.515 3.018 20 0 EGADRP Cn1c2ccccc2c(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)c1-c1ccccc1 ZINC001204756953 1370569052 /nfs/dbraw/zinc/56/90/52/1370569052.db2.gz UTUJSOZBMSROMZ-SFHVURJKSA-N 2 0 349.478 3.395 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)CCC1 ZINC001115571852 1370574418 /nfs/dbraw/zinc/57/44/18/1370574418.db2.gz RHUUJXNPWGBXIV-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573121 1370575627 /nfs/dbraw/zinc/57/56/27/1370575627.db2.gz JDDHRTLCMMZPEP-XFHJGTJQSA-N 2 0 335.536 3.092 20 0 EGADRP COc1cc(CO)ccc1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001204819602 1370583188 /nfs/dbraw/zinc/58/31/88/1370583188.db2.gz OVXMLMDSDBXECD-UHFFFAOYSA-N 2 0 340.467 3.025 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1)[NH+](C)C ZINC001115582159 1370583914 /nfs/dbraw/zinc/58/39/14/1370583914.db2.gz MZIUVGORCISYEB-KRWDZBQOSA-N 2 0 339.568 3.418 20 0 EGADRP C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001204884903 1370596531 /nfs/dbraw/zinc/59/65/31/1370596531.db2.gz CWNLRZXPFIZBCF-QPJJXVBHSA-N 2 0 347.506 3.163 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115596592 1370597179 /nfs/dbraw/zinc/59/71/79/1370597179.db2.gz NTVUPBHXLJXUGM-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630635 1370623949 /nfs/dbraw/zinc/62/39/49/1370623949.db2.gz RKGNYGQBYREGFW-UHFFFAOYSA-N 2 0 340.471 3.323 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648412 1370637394 /nfs/dbraw/zinc/63/73/94/1370637394.db2.gz PDBUXLGFLSXPSO-MJGOQNOKSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2CCC2)CCCCC1)[NH+]1CCCC1 ZINC001115661613 1370645961 /nfs/dbraw/zinc/64/59/61/1370645961.db2.gz HKBJEDWGFILBQA-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3cc(Br)cnc3c2)CC1 ZINC001205116489 1370654816 /nfs/dbraw/zinc/65/48/16/1370654816.db2.gz AGWSPLSBWZKYPL-HNNXBMFYSA-N 2 0 334.261 3.311 20 0 EGADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3cc(Br)cnc32)CC1 ZINC001205124552 1370657697 /nfs/dbraw/zinc/65/76/97/1370657697.db2.gz VDXVETMHXXJRLJ-HNNXBMFYSA-N 2 0 334.261 3.311 20 0 EGADRP CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115689351 1370671638 /nfs/dbraw/zinc/67/16/38/1370671638.db2.gz DDWAFIREQXTQQK-SFHVURJKSA-N 2 0 335.536 3.212 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2cc(N3CCCC3)cc[nH+]2)cn1 ZINC001205211508 1370682332 /nfs/dbraw/zinc/68/23/32/1370682332.db2.gz FRGKPTLRSKSEIL-UHFFFAOYSA-N 2 0 326.444 3.074 20 0 EGADRP CCc1cccc2cc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)c(Cl)nc21 ZINC001205221389 1370686193 /nfs/dbraw/zinc/68/61/93/1370686193.db2.gz TZNRBJBJTZHQJK-IBGZPJMESA-N 2 0 347.890 3.126 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1Oc1ccccc1 ZINC001205249003 1370695749 /nfs/dbraw/zinc/69/57/49/1370695749.db2.gz VGGXWUSDIBZTBO-NRFANRHFSA-N 2 0 340.467 3.463 20 0 EGADRP C[C@]1([NH3+])CCC[N@H+](Cc2[nH]nc3cc(Br)ccc32)CC1 ZINC001205280713 1370704741 /nfs/dbraw/zinc/70/47/41/1370704741.db2.gz GYSQHSFTVKOPOU-HNNXBMFYSA-N 2 0 337.265 3.029 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115729480 1370711302 /nfs/dbraw/zinc/71/13/02/1370711302.db2.gz HZXKKVKAXOHIOZ-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCCCC1 ZINC001115730261 1370712919 /nfs/dbraw/zinc/71/29/19/1370712919.db2.gz HAISCULLEGIUCM-UHFFFAOYSA-N 2 0 345.531 3.223 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCCCC2)C1 ZINC001115730232 1370712931 /nfs/dbraw/zinc/71/29/31/1370712931.db2.gz GMYPSROQXPBXCY-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)CC[N@@H+]1C ZINC001205335381 1370725110 /nfs/dbraw/zinc/72/51/10/1370725110.db2.gz YOQXGRXGJAGHPP-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001115760874 1370745492 /nfs/dbraw/zinc/74/54/92/1370745492.db2.gz WCNDTNIUZHOBBA-GOSISDBHSA-N 2 0 337.552 3.460 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205420279 1370748969 /nfs/dbraw/zinc/74/89/69/1370748969.db2.gz NFMZXBZAXHPIGN-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1)[NH+](C)C ZINC001205515987 1370778034 /nfs/dbraw/zinc/77/80/34/1370778034.db2.gz IPHRHSFIWMPTOI-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001205548901 1370787753 /nfs/dbraw/zinc/78/77/53/1370787753.db2.gz MUTQXKXUEGCKTR-QGZVFWFLSA-N 2 0 345.531 3.306 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cccc(F)c2Br)CC1 ZINC001205558229 1370790910 /nfs/dbraw/zinc/79/09/10/1370790910.db2.gz CXIGJEHLFQNVNX-CQSZACIVSA-N 2 0 333.220 3.241 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001205558205 1370791305 /nfs/dbraw/zinc/79/13/05/1370791305.db2.gz CUCQANYVJSUCIH-AWEZNQCLSA-N 2 0 333.220 3.241 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001205562152 1370792068 /nfs/dbraw/zinc/79/20/68/1370792068.db2.gz NONXJNKPOCBZPU-UHFFFAOYSA-N 2 0 332.463 3.452 20 0 EGADRP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570523 1370795224 /nfs/dbraw/zinc/79/52/24/1370795224.db2.gz KXSMMOHPQSUJOO-OAHLLOKOSA-N 2 0 334.357 3.367 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cccnc2OCc2ccccc2)CC1 ZINC001205591401 1370803040 /nfs/dbraw/zinc/80/30/40/1370803040.db2.gz LYUYGPXVXCHWGN-HXUWFJFHSA-N 2 0 343.446 3.314 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205598804 1370805986 /nfs/dbraw/zinc/80/59/86/1370805986.db2.gz GOPYREGMYWVVED-UHFFFAOYSA-N 2 0 342.531 3.408 20 0 EGADRP C[C@H]1CC[N@H+](CCc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC001205603545 1370808148 /nfs/dbraw/zinc/80/81/48/1370808148.db2.gz QAYUEHFXLQLELU-DZGCQCFKSA-N 2 0 325.294 3.298 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1OC ZINC001205618612 1370812351 /nfs/dbraw/zinc/81/23/51/1370812351.db2.gz XQROGNJFRAYPAT-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1OC(F)F ZINC001205618608 1370812748 /nfs/dbraw/zinc/81/27/48/1370812748.db2.gz XPEAHBXPGDVXLP-OCCSQVGLSA-N 2 0 328.403 3.103 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205626645 1370816542 /nfs/dbraw/zinc/81/65/42/1370816542.db2.gz HPIGYORUCSCNHG-DGCLKSJQSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Br)c1 ZINC001205629207 1370817162 /nfs/dbraw/zinc/81/71/62/1370817162.db2.gz YKMWMGHXYQANPW-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1OC(F)(F)F ZINC001205628330 1370818049 /nfs/dbraw/zinc/81/80/49/1370818049.db2.gz VCPXXHSRDNJXPM-JSGCOSHPSA-N 2 0 346.393 3.401 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205635425 1370820315 /nfs/dbraw/zinc/82/03/15/1370820315.db2.gz AIDHXBYJNBACNR-ZIAGYGMSSA-N 2 0 325.884 3.329 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC[C@@H]1C[NH3+] ZINC001205638728 1370823034 /nfs/dbraw/zinc/82/30/34/1370823034.db2.gz RJIOKMYAZANBQL-CHWSQXEVSA-N 2 0 334.414 3.162 20 0 EGADRP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Br ZINC001205654969 1370831257 /nfs/dbraw/zinc/83/12/57/1370831257.db2.gz YSAUETFCUINACN-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)c2)cc1 ZINC001205673002 1370837342 /nfs/dbraw/zinc/83/73/42/1370837342.db2.gz NNJCJXILNLMLKC-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cnoc2)CC3)c1 ZINC001205688265 1370843602 /nfs/dbraw/zinc/84/36/02/1370843602.db2.gz GUHZYYDXPWBJSV-UHFFFAOYSA-N 2 0 341.455 3.171 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001325955497 1388097765 /nfs/dbraw/zinc/09/77/65/1388097765.db2.gz MMLSVGGTAHLGAL-YSIASYRMSA-N 2 0 343.515 3.012 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCCCOCc2ccccc2)CCC1(F)F ZINC001205736234 1370855625 /nfs/dbraw/zinc/85/56/25/1370855625.db2.gz WULFEQLCKFTYNJ-QGZVFWFLSA-N 2 0 326.431 3.289 20 0 EGADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001205902282 1370905081 /nfs/dbraw/zinc/90/50/81/1370905081.db2.gz JMSILPDTILNFLZ-YPMHNXCESA-N 2 0 336.277 3.490 20 0 EGADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205913190 1370908686 /nfs/dbraw/zinc/90/86/86/1370908686.db2.gz HMIWYNBVJNEEGZ-NEPJUHHUSA-N 2 0 336.277 3.490 20 0 EGADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001205923272 1370911914 /nfs/dbraw/zinc/91/19/14/1370911914.db2.gz MDGIZDYAYCWMMN-GHMZBOCLSA-N 2 0 326.366 3.141 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c2c1 ZINC001205923212 1370912418 /nfs/dbraw/zinc/91/24/18/1370912418.db2.gz KZIBDZBIELWMCO-CABCVRRESA-N 2 0 328.456 3.416 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[NH+]2CCC[C@H]2C1 ZINC001116443403 1370913073 /nfs/dbraw/zinc/91/30/73/1370913073.db2.gz TWCZWFMHKNJFPF-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205983812 1370928784 /nfs/dbraw/zinc/92/87/84/1370928784.db2.gz PIOTUPKZFYUNBE-HMXCVIKNSA-N 2 0 329.532 3.348 20 0 EGADRP C[C@@H]1C[N@H+](CCc2ccc(Br)cc2)CCC[C@@H]1C[NH3+] ZINC001205981906 1370929302 /nfs/dbraw/zinc/92/93/02/1370929302.db2.gz IWLQAUMFYIUIJD-UKRRQHHQSA-N 2 0 325.294 3.298 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206012091 1370938571 /nfs/dbraw/zinc/93/85/71/1370938571.db2.gz ITRDKSSIVLYWQN-UONOGXRCSA-N 2 0 325.884 3.329 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206079623 1370956559 /nfs/dbraw/zinc/95/65/59/1370956559.db2.gz OEFFZMCDTSSJTG-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC001116721906 1370961732 /nfs/dbraw/zinc/96/17/32/1370961732.db2.gz XMGHWEZGPXWJTF-AZUAARDMSA-N 2 0 341.503 3.039 20 0 EGADRP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC[C@@H]1F ZINC001206174848 1370980187 /nfs/dbraw/zinc/98/01/87/1370980187.db2.gz PVRDINOWMSIFEV-GJZGRUSLSA-N 2 0 334.826 3.058 20 0 EGADRP COC(=O)c1cccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001116880625 1370993427 /nfs/dbraw/zinc/99/34/27/1370993427.db2.gz MOGRQLIGJOTCPS-CALCHBBNSA-N 2 0 332.488 3.321 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC001116925529 1371002265 /nfs/dbraw/zinc/00/22/65/1371002265.db2.gz UTCPRSDLCUNOJM-UHFFFAOYSA-N 2 0 337.458 3.352 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001206246034 1371002846 /nfs/dbraw/zinc/00/28/46/1371002846.db2.gz PGMVHAJARGXNIH-YXBWYFRISA-N 2 0 337.552 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001206275472 1371010214 /nfs/dbraw/zinc/01/02/14/1371010214.db2.gz SYCDDLBNIUBBTM-OOFWQKGWSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001206310898 1371017567 /nfs/dbraw/zinc/01/75/67/1371017567.db2.gz FBTBKHWCJFFQHJ-IBGZPJMESA-N 2 0 328.435 3.234 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318956 1371020316 /nfs/dbraw/zinc/02/03/16/1371020316.db2.gz VPSCPDBSXVDRKH-MRXNPFEDSA-N 2 0 341.293 3.409 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cccn2C2CC2)cc1 ZINC001117744085 1371073495 /nfs/dbraw/zinc/07/34/95/1371073495.db2.gz UZONTNZJCSNPAH-UHFFFAOYSA-N 2 0 327.472 3.443 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC001117749018 1371074049 /nfs/dbraw/zinc/07/40/49/1371074049.db2.gz ULOLRSAFPAFZNV-IRXDYDNUSA-N 2 0 345.487 3.416 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206548497 1371089748 /nfs/dbraw/zinc/08/97/48/1371089748.db2.gz PYKBMZUENRYYIF-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206581509 1371099706 /nfs/dbraw/zinc/09/97/06/1371099706.db2.gz JOIVTUHGFHIDTD-HXUWFJFHSA-N 3 0 347.547 3.370 20 0 EGADRP CCOc1cc(C(=O)OC)ccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206583841 1371100688 /nfs/dbraw/zinc/10/06/88/1371100688.db2.gz XGFCIQYQCPJNDH-GOSISDBHSA-N 2 0 348.487 3.224 20 0 EGADRP COC(=O)c1cc(Cl)cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206598715 1371105079 /nfs/dbraw/zinc/10/50/79/1371105079.db2.gz LMDFLLIDXMKTIB-KRWDZBQOSA-N 2 0 338.879 3.479 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC(C[NH2+]CC=C(C)C)CC1)C(C)C ZINC001206628700 1371113567 /nfs/dbraw/zinc/11/35/67/1371113567.db2.gz QXZUEPAUHPMOCY-IBGZPJMESA-N 2 0 337.552 3.147 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001206653676 1371121711 /nfs/dbraw/zinc/12/17/11/1371121711.db2.gz MBSHLYOYSDRVLQ-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263136 1371153548 /nfs/dbraw/zinc/15/35/48/1371153548.db2.gz AYEOGCFSZZAMAK-LJQANCHMSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206771722 1371160744 /nfs/dbraw/zinc/16/07/44/1371160744.db2.gz XKHOVBZHYOQCEV-DGCLKSJQSA-N 2 0 334.357 3.483 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001206779535 1371162786 /nfs/dbraw/zinc/16/27/86/1371162786.db2.gz ITJAMYLIGJRSBI-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC(C)(C)C)cc1 ZINC001118352044 1371165791 /nfs/dbraw/zinc/16/57/91/1371165791.db2.gz SUZMOVFYLLULJC-KRWDZBQOSA-N 2 0 346.519 3.005 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001206858176 1371192238 /nfs/dbraw/zinc/19/22/38/1371192238.db2.gz WHBTZZIAEMUZPE-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001206890339 1371210021 /nfs/dbraw/zinc/21/00/21/1371210021.db2.gz MJHUUSCXNWWDIK-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC001206935803 1371232016 /nfs/dbraw/zinc/23/20/16/1371232016.db2.gz WWBKTDIGENCCDG-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206951432 1371243150 /nfs/dbraw/zinc/24/31/50/1371243150.db2.gz QSJDHGPMXCOFBY-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC001206968409 1371251949 /nfs/dbraw/zinc/25/19/49/1371251949.db2.gz FFVGIIYKSFNVDI-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2cccs2)n1 ZINC001326202325 1388126931 /nfs/dbraw/zinc/12/69/31/1388126931.db2.gz OACKJDXXGJBCKA-UHFFFAOYSA-N 2 0 330.501 3.114 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001119377681 1371326044 /nfs/dbraw/zinc/32/60/44/1371326044.db2.gz JDDLGMCXKVLNSU-QUCCMNQESA-N 2 0 327.472 3.143 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001207282774 1371350881 /nfs/dbraw/zinc/35/08/81/1371350881.db2.gz NYVPPNJLOWCPNP-UHFFFAOYSA-N 3 0 329.532 3.172 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001207402728 1371386398 /nfs/dbraw/zinc/38/63/98/1371386398.db2.gz MNAZSPHBWMRVFP-VXKWHMMOSA-N 3 0 341.543 3.172 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC001207482636 1371409327 /nfs/dbraw/zinc/40/93/27/1371409327.db2.gz ZKVMETCRNYEPDU-UHFFFAOYSA-N 2 0 329.532 3.315 20 0 EGADRP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207484056 1371409390 /nfs/dbraw/zinc/40/93/90/1371409390.db2.gz MYZXHGLOFQAFTF-UHFFFAOYSA-N 2 0 342.531 3.154 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)C[C@H]2C1 ZINC001119990327 1371444322 /nfs/dbraw/zinc/44/43/22/1371444322.db2.gz VQBKYNOUPZPZPC-ZMSDIMECSA-N 2 0 342.512 3.367 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001119993835 1371446598 /nfs/dbraw/zinc/44/65/98/1371446598.db2.gz VNMLONSJIGQRGO-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010071 1371453393 /nfs/dbraw/zinc/45/33/93/1371453393.db2.gz KRASCEROWDKSBR-ZMBJWTFHSA-N 2 0 349.563 3.483 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001120009718 1371453451 /nfs/dbraw/zinc/45/34/51/1371453451.db2.gz DGVGEQVOONNQKX-IBGZPJMESA-N 2 0 347.547 3.237 20 0 EGADRP CC1CCC(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCCCC2)CC1 ZINC001120129843 1371491815 /nfs/dbraw/zinc/49/18/15/1371491815.db2.gz OZEYKOPFDAEVQH-ACBHZAAOSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189731 1371503443 /nfs/dbraw/zinc/50/34/43/1371503443.db2.gz QBLOTIRSHNHXOQ-HDICACEKSA-N 2 0 335.536 3.234 20 0 EGADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](CC2(C)COC2)CC3)c1 ZINC001207794772 1371506124 /nfs/dbraw/zinc/50/61/24/1371506124.db2.gz MARARLPNLYGDLV-UHFFFAOYSA-N 2 0 344.499 3.020 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799747 1371508162 /nfs/dbraw/zinc/50/81/62/1371508162.db2.gz IWSJRCYXIPWWOJ-DSTKZSRVSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423043 1371570710 /nfs/dbraw/zinc/57/07/10/1371570710.db2.gz RBPLNIQSYSSOPR-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001120430965 1371574013 /nfs/dbraw/zinc/57/40/13/1371574013.db2.gz PCNGZMCWVWSGJX-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001208048264 1371579558 /nfs/dbraw/zinc/57/95/58/1371579558.db2.gz FRTQOLYWTMYMTD-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120450346 1371580840 /nfs/dbraw/zinc/58/08/40/1371580840.db2.gz VEBGYLNEQPPGMR-SLVIYJBESA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C/CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120450344 1371581403 /nfs/dbraw/zinc/58/14/03/1371581403.db2.gz VEBGYLNEQPPGMR-RLWBPELLSA-N 2 0 349.563 3.388 20 0 EGADRP C[N@H+](CC1(C)CC[NH+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208108775 1371596627 /nfs/dbraw/zinc/59/66/27/1371596627.db2.gz FGOSIXASHKTNSY-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP COc1ccccc1O[C@@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208107577 1371597130 /nfs/dbraw/zinc/59/71/30/1371597130.db2.gz WICCVCOOMUOYFU-QGZVFWFLSA-N 2 0 332.488 3.270 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001208116233 1371600220 /nfs/dbraw/zinc/60/02/20/1371600220.db2.gz RXHGAFMUXUQNLD-IBGZPJMESA-N 2 0 344.499 3.174 20 0 EGADRP C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208116540 1371600563 /nfs/dbraw/zinc/60/05/63/1371600563.db2.gz XLDIUIFZFWEEAU-KRWDZBQOSA-N 2 0 333.495 3.236 20 0 EGADRP CC1=C[C@@H](C)[C@@H](C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001208166761 1371616167 /nfs/dbraw/zinc/61/61/67/1371616167.db2.gz BZSBOBCRSXPUOU-RTBURBONSA-N 2 0 342.531 3.329 20 0 EGADRP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)CC1(C[NH+](C)C)CCCC1)C2 ZINC001208188303 1371628639 /nfs/dbraw/zinc/62/86/39/1371628639.db2.gz WMJBAKQDHKELAH-QGZVFWFLSA-N 2 0 346.515 3.397 20 0 EGADRP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001208223224 1371661508 /nfs/dbraw/zinc/66/15/08/1371661508.db2.gz WVMDKBOYZQMDSJ-MRXNPFEDSA-N 2 0 330.472 3.012 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331549 1371720443 /nfs/dbraw/zinc/72/04/43/1371720443.db2.gz UAOANNGVAUULBB-YSKLNCTFSA-N 2 0 335.536 3.186 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208396094 1371752848 /nfs/dbraw/zinc/75/28/48/1371752848.db2.gz NOUFMVZOBZRUNT-PDTMIUJASA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001208448085 1371769352 /nfs/dbraw/zinc/76/93/52/1371769352.db2.gz VBTZWMXYCRXKHW-HKUYNNGSSA-N 2 0 345.531 3.367 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001208448034 1371769400 /nfs/dbraw/zinc/76/94/00/1371769400.db2.gz UCDMQDNJSIYXDP-JKSUJKDBSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001208448032 1371769784 /nfs/dbraw/zinc/76/97/84/1371769784.db2.gz UCDMQDNJSIYXDP-HOTGVXAUSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208454585 1371773064 /nfs/dbraw/zinc/77/30/64/1371773064.db2.gz YOYXLOXFVORFQX-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(Oc3ccccc3OC)CC2)CC1 ZINC001208598655 1371834925 /nfs/dbraw/zinc/83/49/25/1371834925.db2.gz VVYCMNUNEUBCPG-UHFFFAOYSA-N 2 0 332.488 3.270 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)CC1 ZINC001208603005 1371837200 /nfs/dbraw/zinc/83/72/00/1371837200.db2.gz REEIWXKTEOQCOY-LJQANCHMSA-N 2 0 336.520 3.164 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)C1 ZINC001208614968 1371841744 /nfs/dbraw/zinc/84/17/44/1371841744.db2.gz GAINEKKSHODOGU-AWEZNQCLSA-N 2 0 348.874 3.143 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001121117103 1371857716 /nfs/dbraw/zinc/85/77/16/1371857716.db2.gz DVNNXDIQODWYDE-SSBRDVDXSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@H]1C)[NH+](C)C ZINC001208699865 1371867519 /nfs/dbraw/zinc/86/75/19/1371867519.db2.gz XMQWKOJZEYLGAO-AHRSYUTCSA-N 2 0 345.531 3.087 20 0 EGADRP COc1ccc(CC[NH+]2CCC(Oc3ccncc3)CC2)cc1OC ZINC001208753858 1371884340 /nfs/dbraw/zinc/88/43/40/1371884340.db2.gz SQIHDLAUQMYKHB-UHFFFAOYSA-N 2 0 342.439 3.185 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001121193315 1371885102 /nfs/dbraw/zinc/88/51/02/1371885102.db2.gz AGKIXXHYQUYQBO-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208770458 1371890266 /nfs/dbraw/zinc/89/02/66/1371890266.db2.gz SFDJKMSARGRLII-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208769476 1371890274 /nfs/dbraw/zinc/89/02/74/1371890274.db2.gz KOSSSFAZGBECNZ-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121245005 1371906301 /nfs/dbraw/zinc/90/63/01/1371906301.db2.gz BAPFJLPHXBRPCX-XUCHTYEISA-N 2 0 349.563 3.026 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121348350 1371945900 /nfs/dbraw/zinc/94/59/00/1371945900.db2.gz WHCMJKULYXTURO-SSBRDVDXSA-N 2 0 349.563 3.170 20 0 EGADRP OCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927637 1371948505 /nfs/dbraw/zinc/94/85/05/1371948505.db2.gz AYPSHGPTGYJAEF-QFIPXVFZSA-N 2 0 338.495 3.393 20 0 EGADRP COC(=O)C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939133 1371954154 /nfs/dbraw/zinc/95/41/54/1371954154.db2.gz FWLXHNAYFOYVJI-WOJBJXKFSA-N 2 0 344.499 3.174 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942981 1371957375 /nfs/dbraw/zinc/95/73/75/1371957375.db2.gz KONPKYDKMQBROS-FDFHNCONSA-N 2 0 341.543 3.172 20 0 EGADRP COC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208947444 1371958829 /nfs/dbraw/zinc/95/88/29/1371958829.db2.gz KDUMEUZMVJIZKT-PMACEKPBSA-N 2 0 344.499 3.174 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])C1CCCCC1)c1ccccc1 ZINC001326371998 1388169715 /nfs/dbraw/zinc/16/97/15/1388169715.db2.gz VGFWAGHRPQWHSA-YJBOKZPZSA-N 2 0 331.504 3.140 20 0 EGADRP CC(C)C[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001121469085 1371984259 /nfs/dbraw/zinc/98/42/59/1371984259.db2.gz PAYFDQNSVZDXMZ-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(CCc1cc(F)cc(F)c1)C2 ZINC001209131131 1372008067 /nfs/dbraw/zinc/00/80/67/1372008067.db2.gz ZHWSMSYKPXSHFN-UHFFFAOYSA-N 2 0 348.441 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209206185 1372038773 /nfs/dbraw/zinc/03/87/73/1372038773.db2.gz YUTDQOKCTMQIJO-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001209305294 1372064837 /nfs/dbraw/zinc/06/48/37/1372064837.db2.gz XWQITPRNBDDISY-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001121763288 1372072934 /nfs/dbraw/zinc/07/29/34/1372072934.db2.gz ZGMRTUQBZWKNHN-RJKRPDFYSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001121763289 1372073467 /nfs/dbraw/zinc/07/34/67/1372073467.db2.gz ZGMRTUQBZWKNHN-VCMYPUNYSA-N 2 0 337.552 3.170 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121767390 1372074840 /nfs/dbraw/zinc/07/48/40/1372074840.db2.gz DLXHVKKVFCWOES-KZYAKZRFSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001121779263 1372078679 /nfs/dbraw/zinc/07/86/79/1372078679.db2.gz WLHHLDOMONYNNT-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001121778951 1372078890 /nfs/dbraw/zinc/07/88/90/1372078890.db2.gz GMBMYZRIMRRHRK-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@@H]4C)CC3)C2)cc1 ZINC001209411600 1372098879 /nfs/dbraw/zinc/09/88/79/1372098879.db2.gz CTVIIQXSKVFCAI-ICSRJNTNSA-N 2 0 328.500 3.318 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC001121848926 1372101282 /nfs/dbraw/zinc/10/12/82/1372101282.db2.gz SYELGQCGWMNDRH-PXDXYCSTSA-N 2 0 344.503 3.208 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001121994706 1372148178 /nfs/dbraw/zinc/14/81/78/1372148178.db2.gz GSXLWNZTTWZVDB-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001122039729 1372159374 /nfs/dbraw/zinc/15/93/74/1372159374.db2.gz PUZOXEOPIKYZHS-FCOWATRHSA-N 2 0 349.563 3.458 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC001122284679 1372221112 /nfs/dbraw/zinc/22/11/12/1372221112.db2.gz AVJKTGUIUSMHHK-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP COc1cc(Cl)ccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001209906257 1372229096 /nfs/dbraw/zinc/22/90/96/1372229096.db2.gz KWMGYSROIMEIPC-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209940574 1372237525 /nfs/dbraw/zinc/23/75/25/1372237525.db2.gz NOICOTCGYNNUFR-NYQZOWANSA-N 2 0 335.536 3.188 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209950659 1372239148 /nfs/dbraw/zinc/23/91/48/1372239148.db2.gz GMRCOOUAISONPP-MOPGFXCFSA-N 2 0 337.552 3.410 20 0 EGADRP Cc1cc(N)[nH+]cc1Nc1ccc(OCC2CC[NH+](C)CC2)cc1 ZINC001209970998 1372244211 /nfs/dbraw/zinc/24/42/11/1372244211.db2.gz NVHNITMJIYVSSA-UHFFFAOYSA-N 2 0 326.444 3.436 20 0 EGADRP c1cncc(OCC2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c1 ZINC001210028170 1372259248 /nfs/dbraw/zinc/25/92/48/1372259248.db2.gz JKWGRVUOIGMAJH-UHFFFAOYSA-N 2 0 337.467 3.018 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210041146 1372261497 /nfs/dbraw/zinc/26/14/97/1372261497.db2.gz QEPQKZSLCWDOAR-LZQZEXGQSA-N 2 0 349.494 3.055 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)C(C)C ZINC001210189545 1372291251 /nfs/dbraw/zinc/29/12/51/1372291251.db2.gz IXNDRFIADHLLSN-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)C(C)C ZINC001210189894 1372291589 /nfs/dbraw/zinc/29/15/89/1372291589.db2.gz OIFJPTZQOLUBJZ-UXHICEINSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210217707 1372295985 /nfs/dbraw/zinc/29/59/85/1372295985.db2.gz LRHHJPGVOHIXDA-FQEVSTJZSA-N 2 0 345.531 3.232 20 0 EGADRP c1cc(-c2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)ccn1 ZINC001210269382 1372310855 /nfs/dbraw/zinc/31/08/55/1372310855.db2.gz TWYKQEKGONPPFL-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001210426840 1372350600 /nfs/dbraw/zinc/35/06/00/1372350600.db2.gz AMAMPXQFHKRMJK-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210494533 1372365861 /nfs/dbraw/zinc/36/58/61/1372365861.db2.gz VWTJLHPJOODKHU-BESKYLIDSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001210796397 1372428296 /nfs/dbraw/zinc/42/82/96/1372428296.db2.gz FTQJYZXRRLFUSV-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)sc2C1 ZINC001326463629 1388200342 /nfs/dbraw/zinc/20/03/42/1388200342.db2.gz FRKYRSZBWZZKSE-SRABZTEZSA-N 2 0 349.544 3.129 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001211240401 1372509567 /nfs/dbraw/zinc/50/95/67/1372509567.db2.gz KPHGIYUIUODTGU-SFHVURJKSA-N 2 0 349.544 3.013 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292277 1372522758 /nfs/dbraw/zinc/52/27/58/1372522758.db2.gz KYMXOVQKKUEKNB-AJWBFMOXSA-N 2 0 343.515 3.155 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309356 1372525923 /nfs/dbraw/zinc/52/59/23/1372525923.db2.gz BFQSYMCGRVVEEX-ASIGSXEYSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367081 1372541440 /nfs/dbraw/zinc/54/14/40/1372541440.db2.gz NMOGYCCKAVGALC-WUYYXPQKSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001211429454 1372557380 /nfs/dbraw/zinc/55/73/80/1372557380.db2.gz KCONYDZAIRBBDI-SJLPKXTDSA-N 2 0 349.519 3.362 20 0 EGADRP CCCCOc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)cc1 ZINC001212339313 1372690021 /nfs/dbraw/zinc/69/00/21/1372690021.db2.gz XHPQGQASHOAWNW-SFHVURJKSA-N 2 0 332.448 3.218 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001124866964 1372736591 /nfs/dbraw/zinc/73/65/91/1372736591.db2.gz OLFJFGHAPURRBC-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001188084302 1388238556 /nfs/dbraw/zinc/23/85/56/1388238556.db2.gz ICGLSCDUESLQRI-ROUKRRSUSA-N 2 0 343.515 3.299 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780426 1373118033 /nfs/dbraw/zinc/11/80/33/1373118033.db2.gz ZQMTUGQJFGSVIB-NCPJDUFYSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584275 1388247810 /nfs/dbraw/zinc/24/78/10/1388247810.db2.gz UJVSSRNISFBGCH-QGZVFWFLSA-N 2 0 329.488 3.096 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001215234183 1373189649 /nfs/dbraw/zinc/18/96/49/1373189649.db2.gz HUMMYZLUTGIBMR-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584286 1388247988 /nfs/dbraw/zinc/24/79/88/1388247988.db2.gz VBKHULBGKHVTSN-MSOLQXFVSA-N 2 0 343.515 3.026 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001188139544 1388248027 /nfs/dbraw/zinc/24/80/27/1388248027.db2.gz OWMTVRABTHYCJY-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216335171 1373301558 /nfs/dbraw/zinc/30/15/58/1373301558.db2.gz DUQPEMIBGRISIX-YFVAEKQCSA-N 2 0 345.531 3.090 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001216828969 1373348407 /nfs/dbraw/zinc/34/84/07/1373348407.db2.gz RFJLILOCQDLCSD-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846684 1373350988 /nfs/dbraw/zinc/35/09/88/1373350988.db2.gz TWLSGJQGUWSWSA-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC001129328720 1373372477 /nfs/dbraw/zinc/37/24/77/1373372477.db2.gz RVIKTBRHGQTFKJ-RTBURBONSA-N 2 0 345.531 3.048 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129416492 1373381623 /nfs/dbraw/zinc/38/16/23/1373381623.db2.gz IGPAOXJIXNLBSP-ZWKOTPCHSA-N 2 0 331.504 3.025 20 0 EGADRP [NH3+]C1CC[NH+](Cc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC001217044857 1373381952 /nfs/dbraw/zinc/38/19/52/1373381952.db2.gz DRNDIRZMGPIQNP-UHFFFAOYSA-N 2 0 334.423 3.327 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001129422447 1373382180 /nfs/dbraw/zinc/38/21/80/1373382180.db2.gz IWTSPXNVPGYKRM-LJQANCHMSA-N 2 0 343.515 3.033 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001129421944 1373382453 /nfs/dbraw/zinc/38/24/53/1373382453.db2.gz DSSWZUZBHABSPB-HXUWFJFHSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001129442490 1373384233 /nfs/dbraw/zinc/38/42/33/1373384233.db2.gz BAUHTMGFCQRFSC-KXBFYZLASA-N 2 0 345.531 3.091 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001129839484 1373427800 /nfs/dbraw/zinc/42/78/00/1373427800.db2.gz ALNBLAGQPFNEOG-PXNSSMCTSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001129947301 1373439082 /nfs/dbraw/zinc/43/90/82/1373439082.db2.gz SXRPZMOAPOPALV-APWZRJJASA-N 2 0 333.520 3.163 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001130200677 1373473857 /nfs/dbraw/zinc/47/38/57/1373473857.db2.gz NMKXIYHEZREUFS-IAQYHMDHSA-N 2 0 346.302 3.100 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001130299778 1373487542 /nfs/dbraw/zinc/48/75/42/1373487542.db2.gz CROSCEJYHBJGNO-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@](C)(CO[C@@H]2CCC[NH2+]CC2)O1 ZINC001217778434 1373499713 /nfs/dbraw/zinc/49/97/13/1373499713.db2.gz OOOGHNSERRNSIG-TZIWHRDSSA-N 2 0 346.515 3.215 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3OCC[C@@H]2CC[NH2+]C2)cc1 ZINC001217809351 1373503083 /nfs/dbraw/zinc/50/30/83/1373503083.db2.gz RXZYTXKMTOHDME-YBVXAUJNSA-N 2 0 328.500 3.303 20 0 EGADRP CCc1ccccc1C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130615893 1373570965 /nfs/dbraw/zinc/57/09/65/1373570965.db2.gz UYJABRCFRDRCFK-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP C[NH+](C)CC[C@H](Oc1cccc(N2CC[NH2+]CC2)c1)c1cccs1 ZINC001218212041 1373579046 /nfs/dbraw/zinc/57/90/46/1373579046.db2.gz RBHIKMNTVLJGOY-SFHVURJKSA-N 2 0 345.512 3.230 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001130713146 1373583727 /nfs/dbraw/zinc/58/37/27/1373583727.db2.gz DIWWLRMOUUEVHR-HXUWFJFHSA-N 2 0 345.531 3.136 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001218937604 1373668417 /nfs/dbraw/zinc/66/84/17/1373668417.db2.gz DXSGSJJSTHEDPD-CTNGQTDRSA-N 2 0 349.478 3.054 20 0 EGADRP [NH3+][C@@H](CCCc1ccccc1)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972587 1373672888 /nfs/dbraw/zinc/67/28/88/1373672888.db2.gz PUHWYFVOBVKZQO-IBGZPJMESA-N 2 0 337.467 3.313 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001218997697 1373676574 /nfs/dbraw/zinc/67/65/74/1373676574.db2.gz JUGZCPXVYFVRHW-SVFBPWRDSA-N 2 0 349.478 3.443 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]([NH3+])c2cccc(Cl)c2Cl)cc1 ZINC001219347418 1373702882 /nfs/dbraw/zinc/70/28/82/1373702882.db2.gz OEEJDSOLQNOONT-CQSZACIVSA-N 2 0 338.238 3.481 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001219954125 1373741259 /nfs/dbraw/zinc/74/12/59/1373741259.db2.gz DGPPBXMZWLVIFE-WOJBJXKFSA-N 2 0 343.515 3.298 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001219954552 1373741897 /nfs/dbraw/zinc/74/18/97/1373741897.db2.gz LKIANZUFQWCQPH-AZUAARDMSA-N 2 0 343.515 3.156 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848272 1373797428 /nfs/dbraw/zinc/79/74/28/1373797428.db2.gz IAJAECXMUPKRIE-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001221972924 1373809929 /nfs/dbraw/zinc/80/99/29/1373809929.db2.gz PLJWYQNYYDBGKL-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001188346839 1388294082 /nfs/dbraw/zinc/29/40/82/1388294082.db2.gz YDHDIQQZUBVARV-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001326875190 1388334771 /nfs/dbraw/zinc/33/47/71/1388334771.db2.gz LOTDRFRSIOWCAK-LJQANCHMSA-N 2 0 347.547 3.212 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC2)c(C)c1 ZINC001326913737 1388349953 /nfs/dbraw/zinc/34/99/53/1388349953.db2.gz SOLPPXLRNUUEOH-LJQANCHMSA-N 2 0 345.531 3.018 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542080 1375122159 /nfs/dbraw/zinc/12/21/59/1375122159.db2.gz HHSPCGCEFCUGMI-HDICACEKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001225551348 1375123372 /nfs/dbraw/zinc/12/33/72/1375123372.db2.gz LONRBMBJKNJTON-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CCCCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225577961 1375126447 /nfs/dbraw/zinc/12/64/47/1375126447.db2.gz OBCWESKYRTXMAB-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132123459 1375157792 /nfs/dbraw/zinc/15/77/92/1375157792.db2.gz DUJWXBPGFNCGNN-WWAPKCSDSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@@H]1C ZINC001132133065 1375163836 /nfs/dbraw/zinc/16/38/36/1375163836.db2.gz XLXJSRMDESUDJQ-HOCLYGCPSA-N 2 0 328.460 3.336 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150396 1375172022 /nfs/dbraw/zinc/17/20/22/1375172022.db2.gz QMVBXEALOFDVMP-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCC2)C1 ZINC001132153834 1375174278 /nfs/dbraw/zinc/17/42/78/1375174278.db2.gz UFMWOGJJMJBENV-SJLPKXTDSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132207693 1375210692 /nfs/dbraw/zinc/21/06/92/1375210692.db2.gz VWIPGJODHLEYQG-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1nn2c(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)c(C(C)C)nc2s1 ZINC001327004968 1388364049 /nfs/dbraw/zinc/36/40/49/1388364049.db2.gz PCAYBBITGOPPLO-UHFFFAOYSA-N 2 0 347.532 3.188 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001226267892 1375231153 /nfs/dbraw/zinc/23/11/53/1375231153.db2.gz SLPZNVBVJROJPR-QZTJIDSGSA-N 2 0 335.536 3.234 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCCC(C)(C)C ZINC001132264808 1375254910 /nfs/dbraw/zinc/25/49/10/1375254910.db2.gz BUBRRNBFPYSWMF-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCC1CCCCC1 ZINC001132265496 1375254942 /nfs/dbraw/zinc/25/49/42/1375254942.db2.gz NVNDZWXHUDUGTI-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC1CCC2(CC2)CC1 ZINC001132270956 1375258784 /nfs/dbraw/zinc/25/87/84/1375258784.db2.gz XXCXCBXKQCTLHZ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226555162 1375281109 /nfs/dbraw/zinc/28/11/09/1375281109.db2.gz XLPNEELVRYMLIU-MCHFGCRHSA-N 2 0 341.515 3.040 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CC2)C1 ZINC001132365636 1375329266 /nfs/dbraw/zinc/32/92/66/1375329266.db2.gz NGXJNFCTBUFVSZ-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132367764 1375331692 /nfs/dbraw/zinc/33/16/92/1375331692.db2.gz FUNAURNHIYDCBI-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)CCC1 ZINC001226782632 1375332153 /nfs/dbraw/zinc/33/21/53/1375332153.db2.gz OHXVGTDCQGNYNE-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132376127 1375337973 /nfs/dbraw/zinc/33/79/73/1375337973.db2.gz JRRKHKIQOFJNHL-HKUYNNGSSA-N 2 0 335.536 3.188 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132375256 1375338502 /nfs/dbraw/zinc/33/85/02/1375338502.db2.gz CCYATQHAGCCEOO-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132376955 1375338555 /nfs/dbraw/zinc/33/85/55/1375338555.db2.gz RZPDRKJLTBLLRW-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001226889857 1375352778 /nfs/dbraw/zinc/35/27/78/1375352778.db2.gz DIACAZKEUGOOGB-KZNAEPCWSA-N 2 0 341.515 3.018 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001226891843 1375353493 /nfs/dbraw/zinc/35/34/93/1375353493.db2.gz VKNRSURCMWUFOK-VAMGGRTRSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226891966 1375353521 /nfs/dbraw/zinc/35/35/21/1375353521.db2.gz WYJIGGYQDPUCOQ-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CCc1ccc(C[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]2C)cc1 ZINC001132409836 1375358047 /nfs/dbraw/zinc/35/80/47/1375358047.db2.gz FTBPCQNJYKFRKH-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCc1cccc(C[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]2C)c1 ZINC001132409816 1375358123 /nfs/dbraw/zinc/35/81/23/1375358123.db2.gz FMGJMTUMWPKBOC-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132410056 1375359030 /nfs/dbraw/zinc/35/90/30/1375359030.db2.gz JHTUQWWNVUJALR-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132411055 1375360297 /nfs/dbraw/zinc/36/02/97/1375360297.db2.gz SFVIJBKZAIOAPO-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1=CCCCC1 ZINC001132436599 1375380648 /nfs/dbraw/zinc/38/06/48/1375380648.db2.gz MTGRGDODOYZRRB-PKOBYXMFSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132440448 1375383346 /nfs/dbraw/zinc/38/33/46/1375383346.db2.gz AMWKHYLBOXMBFG-OALUTQOASA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132440902 1375384653 /nfs/dbraw/zinc/38/46/53/1375384653.db2.gz HRYJIOUZHZVVNZ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(CC)cc2)C1 ZINC001132440774 1375384810 /nfs/dbraw/zinc/38/48/10/1375384810.db2.gz FPPIMIILDDWHLA-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132494661 1375424548 /nfs/dbraw/zinc/42/45/48/1375424548.db2.gz VSLXUCIUOSIOHB-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132522463 1375439462 /nfs/dbraw/zinc/43/94/62/1375439462.db2.gz PEDIZGSCRNGPBQ-PXNSSMCTSA-N 2 0 345.531 3.058 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001227807024 1375477940 /nfs/dbraw/zinc/47/79/40/1375477940.db2.gz KZXGNLSJTKCLTB-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC001227807504 1375478060 /nfs/dbraw/zinc/47/80/60/1375478060.db2.gz RTOOFHBTGUVPMB-KRWDZBQOSA-N 2 0 343.515 3.121 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001228138111 1375520314 /nfs/dbraw/zinc/52/03/14/1375520314.db2.gz OKWXFSCGGRHXCX-HPFJUIBNSA-N 2 0 349.563 3.482 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC/C=C/c1ccccc1 ZINC001228377518 1375559225 /nfs/dbraw/zinc/55/92/25/1375559225.db2.gz WIBYXCKUJHUEIZ-AJAZOWGGSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001132794672 1375568432 /nfs/dbraw/zinc/56/84/32/1375568432.db2.gz FFFAUUDIYFZASN-FXAWDEMLSA-N 2 0 343.515 3.251 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228647258 1375626328 /nfs/dbraw/zinc/62/63/28/1375626328.db2.gz QBPYLEUFTCFGJJ-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001132892327 1375629142 /nfs/dbraw/zinc/62/91/42/1375629142.db2.gz DJDYKXFJNFDJLP-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCC(NC(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001228889020 1375706009 /nfs/dbraw/zinc/70/60/09/1375706009.db2.gz PJMNMANHCXBGQS-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001133011171 1375710302 /nfs/dbraw/zinc/71/03/02/1375710302.db2.gz HISSFTMYVCEGCF-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001229171710 1375780076 /nfs/dbraw/zinc/78/00/76/1375780076.db2.gz RAVGMIMXMGQPBQ-KRWDZBQOSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](CCC2CCCC2)CC1)[NH+](CC)CC ZINC001229171993 1375780734 /nfs/dbraw/zinc/78/07/34/1375780734.db2.gz SXUFTPYKLHZDDZ-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC001229214418 1375788918 /nfs/dbraw/zinc/78/89/18/1375788918.db2.gz QQIBWLTXDRIPFX-BHIYHBOVSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001229461904 1375840829 /nfs/dbraw/zinc/84/08/29/1375840829.db2.gz FMWXZRXILACJFQ-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188895165 1388404029 /nfs/dbraw/zinc/40/40/29/1388404029.db2.gz GHSXGDVICSWCHT-XUVXKRRUSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)C(C)C ZINC001229656113 1375872435 /nfs/dbraw/zinc/87/24/35/1375872435.db2.gz YFRNFWXPNPXQJT-HXUWFJFHSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)c1ccccc1 ZINC001229652630 1375873116 /nfs/dbraw/zinc/87/31/16/1375873116.db2.gz QGUAFHNKIGWLHY-QRVBRYPASA-N 2 0 349.494 3.056 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133274493 1375888865 /nfs/dbraw/zinc/88/88/65/1375888865.db2.gz IYMLSAKRKKHALN-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001229852429 1375904582 /nfs/dbraw/zinc/90/45/82/1375904582.db2.gz IESWKDUKYQNTFV-RTBURBONSA-N 2 0 349.494 3.075 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001230107713 1375944845 /nfs/dbraw/zinc/94/48/45/1375944845.db2.gz UZRYJEOJFZMBST-KRWDZBQOSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001230107657 1375945099 /nfs/dbraw/zinc/94/50/99/1375945099.db2.gz RGJLCBDGEPKREM-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257404 1375978781 /nfs/dbraw/zinc/97/87/81/1375978781.db2.gz RFARWVMSJZAPEP-DUFJLWIISA-N 2 0 335.536 3.236 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001230287901 1375986732 /nfs/dbraw/zinc/98/67/32/1375986732.db2.gz GKYZNTLPKNWKFS-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001230377944 1376010795 /nfs/dbraw/zinc/01/07/95/1376010795.db2.gz DYOIKZDLSVXRSA-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230537430 1376059739 /nfs/dbraw/zinc/05/97/39/1376059739.db2.gz GKZAMOVHULPOEG-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591955 1376090426 /nfs/dbraw/zinc/09/04/26/1376090426.db2.gz NRIQNZBNBZDNAT-ROUKRRSUSA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC2CCCC2)CC1 ZINC001230617543 1376104083 /nfs/dbraw/zinc/10/40/83/1376104083.db2.gz CMQIWRANAPQTTF-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628510 1376105934 /nfs/dbraw/zinc/10/59/34/1376105934.db2.gz ITSQDBDUTRTJBG-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC2CC(C)C2)CC1 ZINC001230629991 1376107463 /nfs/dbraw/zinc/10/74/63/1376107463.db2.gz RGARPIXSPSXMSP-QLOJAFMTSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C(C)C)[NH+](CC)CC ZINC001133690401 1376157426 /nfs/dbraw/zinc/15/74/26/1376157426.db2.gz KSOQEDOYLUGYLV-IBGZPJMESA-N 2 0 333.520 3.136 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]CC1CCC(c2ccccc2)CC1)[NH+](C)C ZINC001133965978 1376289719 /nfs/dbraw/zinc/28/97/19/1376289719.db2.gz RUCOXTVPRPNUDY-UUKMXZOPSA-N 2 0 345.531 3.006 20 0 EGADRP CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012796 1376382208 /nfs/dbraw/zinc/38/22/08/1376382208.db2.gz RSUGCHALJSPOIE-UHFFFAOYSA-N 2 0 344.459 3.300 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)c1sccc1C[NH+](C)C ZINC001134518996 1376575462 /nfs/dbraw/zinc/57/54/62/1376575462.db2.gz IVUXFKJFYUCSKK-MVTQWGDUSA-N 2 0 343.924 3.049 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(O)c(OCC3CC3)c1)CC2 ZINC001233229563 1376592795 /nfs/dbraw/zinc/59/27/95/1376592795.db2.gz LORVQQMLGLUSCC-UHFFFAOYSA-N 2 0 344.499 3.489 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001134584744 1376608778 /nfs/dbraw/zinc/60/87/78/1376608778.db2.gz WPKNRHZXWZOQCQ-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c(C)c1 ZINC001134759294 1376704322 /nfs/dbraw/zinc/70/43/22/1376704322.db2.gz LEDLQVNBIQOBNY-FQEVSTJZSA-N 2 0 345.531 3.081 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001134762984 1376707374 /nfs/dbraw/zinc/70/73/74/1376707374.db2.gz JOIBECNPABNEQA-FQEVSTJZSA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001134772862 1376711883 /nfs/dbraw/zinc/71/18/83/1376711883.db2.gz ILRNTIYIINLNGH-QZTJIDSGSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001134772378 1376712601 /nfs/dbraw/zinc/71/26/01/1376712601.db2.gz CQSLNKXYHWUVDI-HOTGVXAUSA-N 2 0 337.552 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001134773662 1376714388 /nfs/dbraw/zinc/71/43/88/1376714388.db2.gz QDUKRKCGLHXTJG-ROUUACIJSA-N 2 0 347.547 3.141 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810391 1376738216 /nfs/dbraw/zinc/73/82/16/1376738216.db2.gz YGECVLZRLMWQHS-JTUDCUDASA-N 2 0 342.487 3.486 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2c(OC)cccc12 ZINC001235034380 1376832959 /nfs/dbraw/zinc/83/29/59/1376832959.db2.gz XDHGIYHCSXWZGR-HXUWFJFHSA-N 2 0 326.440 3.042 20 0 EGADRP COc1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc(C(F)(F)F)c1 ZINC001235338232 1376869038 /nfs/dbraw/zinc/86/90/38/1376869038.db2.gz DWGCYMLUKMAVRP-UHFFFAOYSA-N 2 0 328.378 3.145 20 0 EGADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(CC[C@H]2CCCC[NH2+]2)C3)c1 ZINC001235630278 1376879656 /nfs/dbraw/zinc/87/96/56/1376879656.db2.gz XLMOQCVKUUHOEH-RTWAWAEBSA-N 2 0 345.506 3.398 20 0 EGADRP CCOc1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c(F)cn1 ZINC001235873692 1376907503 /nfs/dbraw/zinc/90/75/03/1376907503.db2.gz DNOCUCYDDQEKJS-UHFFFAOYSA-N 2 0 329.419 3.210 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1OCC1CC1 ZINC001235883370 1376909988 /nfs/dbraw/zinc/90/99/88/1376909988.db2.gz DOSMUKUOMLSISP-LJQANCHMSA-N 2 0 344.499 3.448 20 0 EGADRP CCN(C[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235947332 1376921895 /nfs/dbraw/zinc/92/18/95/1376921895.db2.gz ACAKRSMHLQPHHG-XZOQPEGZSA-N 2 0 349.522 3.297 20 0 EGADRP COCC[N@H+](CCCc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235946658 1376922458 /nfs/dbraw/zinc/92/24/58/1376922458.db2.gz OOEAEHRBUKHKQZ-UHFFFAOYSA-N 2 0 344.421 3.338 20 0 EGADRP CCN(C[C@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235947604 1376923050 /nfs/dbraw/zinc/92/30/50/1376923050.db2.gz DMYZMKIRESHVIX-YADHBBJMSA-N 2 0 337.511 3.153 20 0 EGADRP Clc1ccc(OC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC001235969520 1376924104 /nfs/dbraw/zinc/92/41/04/1376924104.db2.gz AYGYKEMGNUSDIP-LBPRGKRZSA-N 2 0 329.271 3.446 20 0 EGADRP c1ccc(-c2ccccc2C[NH+]2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC001236129690 1376934157 /nfs/dbraw/zinc/93/41/57/1376934157.db2.gz YWBQCCQVZZWWIT-UHFFFAOYSA-N 2 0 335.495 3.223 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236253300 1376945581 /nfs/dbraw/zinc/94/55/81/1376945581.db2.gz LRCDJURBAWJWSL-QFIPXVFZSA-N 2 0 335.495 3.386 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180169 1376953202 /nfs/dbraw/zinc/95/32/02/1376953202.db2.gz DXAAQLRRGRIUAY-IRXDYDNUSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001135180390 1376953501 /nfs/dbraw/zinc/95/35/01/1376953501.db2.gz GOBVVROPAQTHFT-SJORKVTESA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC3CCCCC3)C[C@H]21)CC(C)(C)C ZINC001189167336 1388472036 /nfs/dbraw/zinc/47/20/36/1388472036.db2.gz IUMPGIRESCHQOD-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c2c(OC)cccc12 ZINC001237058489 1376973704 /nfs/dbraw/zinc/97/37/04/1376973704.db2.gz QCAFYMNOIXHPIR-FQEVSTJZSA-N 2 0 328.456 3.418 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c2c(OC)cccc12 ZINC001237058494 1376974195 /nfs/dbraw/zinc/97/41/95/1376974195.db2.gz QCAFYMNOIXHPIR-HXUWFJFHSA-N 2 0 328.456 3.418 20 0 EGADRP Fc1ccc(C(F)(F)F)cc1[C@H]1CCC[N@@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC001237058355 1376974258 /nfs/dbraw/zinc/97/42/58/1376974258.db2.gz ZTKZICYNNNDWGS-CZUORRHYSA-N 2 0 346.368 3.360 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001135314517 1377033302 /nfs/dbraw/zinc/03/33/02/1377033302.db2.gz CAUUCWOZLSJZSN-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(Cl)s1 ZINC001135315622 1377033556 /nfs/dbraw/zinc/03/35/56/1377033556.db2.gz QORZYHHLUQPBLK-OLZOCXBDSA-N 2 0 345.940 3.116 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135314883 1377033609 /nfs/dbraw/zinc/03/36/09/1377033609.db2.gz IKNOISDDYRQASC-CABCVRRESA-N 2 0 347.494 3.027 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001246161900 1377050391 /nfs/dbraw/zinc/05/03/91/1377050391.db2.gz BJCHBFHGRDUFJJ-MRXNPFEDSA-N 2 0 325.294 3.415 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCC(C)C)C[C@H](CC)[NH2+]1 ZINC001246292307 1377050833 /nfs/dbraw/zinc/05/08/33/1377050833.db2.gz JFEFZYQPHKCBII-MANSERQUSA-N 2 0 339.568 3.462 20 0 EGADRP C[NH2+]CC[C@@H](C)[NH2+]Cc1ccc(CC(=O)OCc2ccccc2)cc1 ZINC001246293056 1377051018 /nfs/dbraw/zinc/05/10/18/1377051018.db2.gz XGZATPLQBCDPIX-QGZVFWFLSA-N 2 0 340.467 3.060 20 0 EGADRP c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+](C2CCC4(C[NH2+]C4)CC2)C3)nc1 ZINC001246728668 1377053571 /nfs/dbraw/zinc/05/35/71/1377053571.db2.gz UECAJRAHNXAAFG-UTKZUKDTSA-N 2 0 341.499 3.095 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246724980 1377053575 /nfs/dbraw/zinc/05/35/75/1377053575.db2.gz NOKDUCAJICKCRR-JKBKZWBZSA-N 2 0 343.515 3.339 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937396 1377055817 /nfs/dbraw/zinc/05/58/17/1377055817.db2.gz MBFZQDFDEUVBAY-ZIFCJYIRSA-N 2 0 336.520 3.353 20 0 EGADRP C[NH+](C)C1CCC(N(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246938700 1377056217 /nfs/dbraw/zinc/05/62/17/1377056217.db2.gz SKXNUYGTXNZYRP-SOAGJPPSSA-N 3 0 333.495 3.253 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCCC1)NC(=O)CC[NH+](C)C ZINC001135371699 1377059831 /nfs/dbraw/zinc/05/98/31/1377059831.db2.gz HRDVUKKZKBLIPK-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001254511102 1377105518 /nfs/dbraw/zinc/10/55/18/1377105518.db2.gz VNBBWHQRFCOXFM-KRWDZBQOSA-N 2 0 335.923 3.160 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471259 1377108854 /nfs/dbraw/zinc/10/88/54/1377108854.db2.gz JIZRRDWRZNMBEO-ROUUACIJSA-N 2 0 347.547 3.323 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135472392 1377109333 /nfs/dbraw/zinc/10/93/33/1377109333.db2.gz WFQYGZCYXQHPMJ-DLBZAZTESA-N 2 0 345.531 3.077 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471721 1377109777 /nfs/dbraw/zinc/10/97/77/1377109777.db2.gz ORMUHNIUISBGBB-DLBZAZTESA-N 2 0 333.520 3.077 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1c(C)cc(C)cc1C)C(C)C ZINC001135474063 1377110346 /nfs/dbraw/zinc/11/03/46/1377110346.db2.gz GCHHVYUHJCPUOQ-FQEVSTJZSA-N 2 0 347.547 3.184 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135477267 1377111544 /nfs/dbraw/zinc/11/15/44/1377111544.db2.gz UIDVBCFYOYITSI-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614183 1377162339 /nfs/dbraw/zinc/16/23/39/1377162339.db2.gz NOHVVAKWOPRCQZ-IRXDYDNUSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614275 1377162359 /nfs/dbraw/zinc/16/23/59/1377162359.db2.gz PUYFEMYSOWPCGM-ROUUACIJSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135706027 1377190773 /nfs/dbraw/zinc/19/07/73/1377190773.db2.gz NMNORVJZNPYHNQ-KBPBESRZSA-N 2 0 339.549 3.080 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135743546 1377199348 /nfs/dbraw/zinc/19/93/48/1377199348.db2.gz MCFIUCGAERDCNK-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135746431 1377200560 /nfs/dbraw/zinc/20/05/60/1377200560.db2.gz HNPQYVFESKDWLP-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788496 1377211375 /nfs/dbraw/zinc/21/13/75/1377211375.db2.gz GVHJBTXCAMFOMR-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001135823795 1377222365 /nfs/dbraw/zinc/22/23/65/1377222365.db2.gz HXFKXDLHDPJKLE-DLBZAZTESA-N 2 0 339.568 3.416 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001135824609 1377222591 /nfs/dbraw/zinc/22/25/91/1377222591.db2.gz VCKFSKOIJRHXNG-IRXDYDNUSA-N 2 0 337.552 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135858102 1377237028 /nfs/dbraw/zinc/23/70/28/1377237028.db2.gz SKQRDRAOGCDZTD-STQMWFEESA-N 2 0 345.940 3.116 20 0 EGADRP CCc1ccccc1CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860938 1377238183 /nfs/dbraw/zinc/23/81/83/1377238183.db2.gz JTECBGKQHGIKAJ-MSOLQXFVSA-N 2 0 347.547 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135861656 1377238568 /nfs/dbraw/zinc/23/85/68/1377238568.db2.gz VCPXUNMGQLVXKB-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135861936 1377238581 /nfs/dbraw/zinc/23/85/81/1377238581.db2.gz ZGMVORFQTFANII-OBIQQPLYSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001327297733 1388487817 /nfs/dbraw/zinc/48/78/17/1388487817.db2.gz BHSZAYMBIQNJKJ-VQTJNVASSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C)[NH2+]CCCC(C)(C)C ZINC001135944642 1377272474 /nfs/dbraw/zinc/27/24/74/1377272474.db2.gz NQQJAZHUVJXLQL-CVEARBPZSA-N 2 0 348.535 3.460 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C)[NH2+]CCC1CCCC1 ZINC001135944970 1377273713 /nfs/dbraw/zinc/27/37/13/1377273713.db2.gz SXKSWTGDRGDSKD-CVEARBPZSA-N 2 0 346.519 3.214 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135960509 1377276850 /nfs/dbraw/zinc/27/68/50/1377276850.db2.gz DCCRIQLPBPAASM-ROUUACIJSA-N 2 0 333.520 3.100 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCCC[NH+](C)C ZINC001135973841 1377282617 /nfs/dbraw/zinc/28/26/17/1377282617.db2.gz DPAGNJNSIYBKKC-IRXDYDNUSA-N 2 0 327.557 3.418 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cs1 ZINC001135974680 1377283534 /nfs/dbraw/zinc/28/35/34/1377283534.db2.gz SUOMKTMLDNSEEG-GJZGRUSLSA-N 2 0 339.549 3.161 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135974474 1377283881 /nfs/dbraw/zinc/28/38/81/1377283881.db2.gz PTYKKYWOEDNLHE-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135980274 1377285658 /nfs/dbraw/zinc/28/56/58/1377285658.db2.gz MOVADUUYJGBBFN-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135995629 1377292120 /nfs/dbraw/zinc/29/21/20/1377292120.db2.gz IRYWLPTYNLOBAZ-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001135997191 1377293276 /nfs/dbraw/zinc/29/32/76/1377293276.db2.gz ZTDQOWNTIIYCBP-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001136602012 1377408098 /nfs/dbraw/zinc/40/80/98/1377408098.db2.gz RBUMIYGUGXMTPN-UHFFFAOYSA-N 2 0 333.520 3.075 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001267089897 1377411644 /nfs/dbraw/zinc/41/16/44/1377411644.db2.gz GSJYORJHHGAXPC-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563687 1377457956 /nfs/dbraw/zinc/45/79/56/1377457956.db2.gz CYYZSQXFABESCA-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1ccccc1C ZINC001267807589 1377470753 /nfs/dbraw/zinc/47/07/53/1377470753.db2.gz YZJWGUDOESJLJO-DLBZAZTESA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)CC1 ZINC001137758030 1377610147 /nfs/dbraw/zinc/61/01/47/1377610147.db2.gz CXMOMZASWWKDGZ-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001271758827 1377649322 /nfs/dbraw/zinc/64/93/22/1377649322.db2.gz HSVIVJKADNNNMN-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272020358 1377654687 /nfs/dbraw/zinc/65/46/87/1377654687.db2.gz KNHYJBAFHRNDKZ-GOSISDBHSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@H](C(=O)Nc1cccc2c1C[NH+](C1CC1)C2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001137992904 1377660751 /nfs/dbraw/zinc/66/07/51/1377660751.db2.gz TVZPCNPYGJOUEU-QLFBSQMISA-N 2 0 327.472 3.364 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1c[nH]c3ccc(Br)cc13)CC2 ZINC001138322119 1377701631 /nfs/dbraw/zinc/70/16/31/1377701631.db2.gz XKWVBCLTRCOFIC-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C2CCC2)C2CCOCC2)cc1 ZINC001138773919 1377782324 /nfs/dbraw/zinc/78/23/24/1377782324.db2.gz SJOYZLDABRAMAX-UHFFFAOYSA-N 2 0 332.488 3.161 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)cc1 ZINC001138774118 1377782373 /nfs/dbraw/zinc/78/23/73/1377782373.db2.gz ZBOPPTDDOYTQAB-HXUWFJFHSA-N 2 0 340.467 3.063 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)nn1C ZINC001138828251 1377793002 /nfs/dbraw/zinc/79/30/02/1377793002.db2.gz UAFUNYSFEMVDEY-IBGZPJMESA-N 2 0 342.487 3.198 20 0 EGADRP CCCn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041577 1377821371 /nfs/dbraw/zinc/82/13/71/1377821371.db2.gz LKLNNWWDUSNEDD-NHCUHLMSSA-N 2 0 338.499 3.247 20 0 EGADRP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001139095781 1377828407 /nfs/dbraw/zinc/82/84/07/1377828407.db2.gz CAVXHWQAWXWGQO-LJQANCHMSA-N 2 0 342.487 3.496 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3c(ccn3C)c2)CC1 ZINC001139189662 1377847406 /nfs/dbraw/zinc/84/74/06/1377847406.db2.gz HJNBCUIKECDPIZ-UHFFFAOYSA-N 2 0 342.531 3.028 20 0 EGADRP CC[N@H+](Cc1cnc(N2CCN(C)CC2)s1)Cc1ccc(C)cc1 ZINC001139325735 1377868851 /nfs/dbraw/zinc/86/88/51/1377868851.db2.gz YDTOMFGMXASLJS-UHFFFAOYSA-N 2 0 344.528 3.225 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3c[nH]c4ncc(C(F)(F)F)cc34)C2)CC1 ZINC001139541472 1377901610 /nfs/dbraw/zinc/90/16/10/1377901610.db2.gz STDWHGSSAMMDLY-UHFFFAOYSA-N 2 0 338.377 3.109 20 0 EGADRP C[N@H+](CC(=O)Nc1ccccc1Nc1cc[nH+]cc1)CC(C)(C)C ZINC001139690542 1377935238 /nfs/dbraw/zinc/93/52/38/1377935238.db2.gz IAMPDVYYXYHUHE-UHFFFAOYSA-N 2 0 326.444 3.164 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccccc3C(F)F)CC2)CC1 ZINC001139802105 1377951750 /nfs/dbraw/zinc/95/17/50/1377951750.db2.gz JTWPUHHMVUZYPT-UHFFFAOYSA-N 2 0 337.458 3.084 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3c[nH]c4cccc(Br)c34)C[C@@H]2C1 ZINC001139963228 1377984649 /nfs/dbraw/zinc/98/46/49/1377984649.db2.gz UXUXJHLALLDVRB-OCCSQVGLSA-N 2 0 348.288 3.314 20 0 EGADRP Fc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001140132900 1378015240 /nfs/dbraw/zinc/01/52/40/1378015240.db2.gz VERWVTVTUOMXOU-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001140508580 1378075810 /nfs/dbraw/zinc/07/58/10/1378075810.db2.gz GXXZXMCAZAULCI-ROUUACIJSA-N 2 0 326.488 3.412 20 0 EGADRP CC/C=C\CCCCC[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273134758 1378090188 /nfs/dbraw/zinc/09/01/88/1378090188.db2.gz KRPXESLAQPFECJ-KKHYBRAUSA-N 2 0 335.536 3.142 20 0 EGADRP Cc1ccc(F)cc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140590467 1378091409 /nfs/dbraw/zinc/09/14/09/1378091409.db2.gz HPOFTHPUIHMOIR-OALUTQOASA-N 2 0 325.431 3.093 20 0 EGADRP Cc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc(C)c1O ZINC001140654788 1378106318 /nfs/dbraw/zinc/10/63/18/1378106318.db2.gz DRRBMGIVUHVBAV-UHFFFAOYSA-N 2 0 346.515 3.333 20 0 EGADRP Cc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275634290 1378149310 /nfs/dbraw/zinc/14/93/10/1378149310.db2.gz ONWJWFWDFUOBQW-HXUWFJFHSA-N 2 0 349.950 3.498 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)CCCC1CCC1 ZINC001275827813 1378159167 /nfs/dbraw/zinc/15/91/67/1378159167.db2.gz MZMFHHHEJLLMEF-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCn1ccnc1CN1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CC1 ZINC001275867003 1378159935 /nfs/dbraw/zinc/15/99/35/1378159935.db2.gz WSFZPXOIYKFFID-HDICACEKSA-N 2 0 344.528 3.309 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276162984 1378168855 /nfs/dbraw/zinc/16/88/55/1378168855.db2.gz QGTAEEXWNBFCJQ-UHFFFAOYSA-N 2 0 338.499 3.407 20 0 EGADRP C[N@H+]1CC[C@H]2C[NH+](C[C@H]3CCCCN3Cc3ccccc3)C[C@H]2CC1 ZINC001276492529 1378175725 /nfs/dbraw/zinc/17/57/25/1378175725.db2.gz VXHVIWVCSNIKQZ-BHIFYINESA-N 2 0 341.543 3.315 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278450660 1378272001 /nfs/dbraw/zinc/27/20/01/1378272001.db2.gz RTKWSPIEPQVTLT-QUCCMNQESA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@H]2C1 ZINC001142404799 1378440082 /nfs/dbraw/zinc/44/00/82/1378440082.db2.gz HJOPDRIGRUYFRB-ZIAGYGMSSA-N 2 0 348.288 3.314 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447004 1378597534 /nfs/dbraw/zinc/59/75/34/1378597534.db2.gz NFCKIUXNPSXHRS-HNNXBMFYSA-N 2 0 332.341 3.252 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(OC(F)(F)F)cc1F)CC2 ZINC001143791328 1378646258 /nfs/dbraw/zinc/64/62/58/1378646258.db2.gz JNTCXOMJICEPGV-UHFFFAOYSA-N 2 0 332.341 3.252 20 0 EGADRP C[NH+](C)CCN1CCN(Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001143804065 1378647864 /nfs/dbraw/zinc/64/78/64/1378647864.db2.gz KYEVUYZYBMVGCH-UHFFFAOYSA-N 2 0 349.828 3.038 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001143838515 1378651736 /nfs/dbraw/zinc/65/17/36/1378651736.db2.gz LJIWWOJSEXTVCI-MJGOQNOKSA-N 2 0 345.531 3.352 20 0 EGADRP COc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(OC(F)(F)F)c1 ZINC001144057108 1378676600 /nfs/dbraw/zinc/67/66/00/1378676600.db2.gz VMQVNPAYPJIPIF-UHFFFAOYSA-N 2 0 344.377 3.121 20 0 EGADRP C[N@H+](CCCC1CCC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001283317773 1378802454 /nfs/dbraw/zinc/80/24/54/1378802454.db2.gz SIWNZVGCGPUKFI-UHFFFAOYSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146534016 1378861411 /nfs/dbraw/zinc/86/14/11/1378861411.db2.gz IPUCRKBBFWOVMC-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146580846 1378871415 /nfs/dbraw/zinc/87/14/15/1378871415.db2.gz AQWRILVYMGJVME-SJORKVTESA-N 2 0 333.520 3.425 20 0 EGADRP CCc1ccccc1CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593825 1378873672 /nfs/dbraw/zinc/87/36/72/1378873672.db2.gz QLTLEJQRPXSPSB-MSOLQXFVSA-N 2 0 347.547 3.005 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001146614320 1378878099 /nfs/dbraw/zinc/87/80/99/1378878099.db2.gz XTOXFEHOVVCHKW-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCC2)o1 ZINC001146699431 1378899285 /nfs/dbraw/zinc/89/92/85/1378899285.db2.gz CMBXBAIBYFYZRA-JKSUJKDBSA-N 2 0 349.519 3.408 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+]CC1CCCCCC1)c1ccccc1 ZINC001147410763 1379016484 /nfs/dbraw/zinc/01/64/84/1379016484.db2.gz VBRFQCZJEHQHTH-OAQYLSRUSA-N 2 0 345.531 3.140 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)(C)C)C3)CC[N@@H+]1C ZINC001147582668 1379045882 /nfs/dbraw/zinc/04/58/82/1379045882.db2.gz BJNYTTJOURREQY-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985932 1379103349 /nfs/dbraw/zinc/10/33/49/1379103349.db2.gz LLQSUTXCIKAPDU-WAYWQWQTSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001283691202 1379120397 /nfs/dbraw/zinc/12/03/97/1379120397.db2.gz AQRZKZOMCGUJCD-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390056 1379162545 /nfs/dbraw/zinc/16/25/45/1379162545.db2.gz ARCKSWULEYIEPC-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148458401 1379175925 /nfs/dbraw/zinc/17/59/25/1379175925.db2.gz PRFNBDDJCWNPNC-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148469776 1379179355 /nfs/dbraw/zinc/17/93/55/1379179355.db2.gz UYGKKYLAKSDFHJ-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccccc1NC(=[NH2+])NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001327781074 1388595609 /nfs/dbraw/zinc/59/56/09/1388595609.db2.gz DQNSLZWIONOFIB-UHFFFAOYSA-N 2 0 340.471 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001148577892 1379216195 /nfs/dbraw/zinc/21/61/95/1379216195.db2.gz IFJAXRBDJLTOMO-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148652176 1379234291 /nfs/dbraw/zinc/23/42/91/1379234291.db2.gz YGETXGYULPGZCI-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833854 1379280073 /nfs/dbraw/zinc/28/00/73/1379280073.db2.gz NZUQGNHLJVSCFH-RURPWVQCSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1Cc1ccccc1 ZINC001284130833 1379512272 /nfs/dbraw/zinc/51/22/72/1379512272.db2.gz IQWNIMQNAAUNAS-IEBWSBKVSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1Cc1ccccc1 ZINC001284130840 1379512300 /nfs/dbraw/zinc/51/23/00/1379512300.db2.gz IQWNIMQNAAUNAS-PKOBYXMFSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC001152470444 1379939543 /nfs/dbraw/zinc/93/95/43/1379939543.db2.gz AMXKQVHCIGAZES-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001153302396 1380051182 /nfs/dbraw/zinc/05/11/82/1380051182.db2.gz UQQVKTRLQKTQGP-RTBURBONSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001153301355 1380051345 /nfs/dbraw/zinc/05/13/45/1380051345.db2.gz OVBVMQHCEWZCOA-GOSISDBHSA-N 2 0 331.504 3.028 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823817 1380137725 /nfs/dbraw/zinc/13/77/25/1380137725.db2.gz AIVGROJIAZEJSC-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854561 1380144490 /nfs/dbraw/zinc/14/44/90/1380144490.db2.gz IRSSFCVQUSUFKG-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880119 1380148952 /nfs/dbraw/zinc/14/89/52/1380148952.db2.gz ZBOWAQAGIYAMHA-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348236 1380261321 /nfs/dbraw/zinc/26/13/21/1380261321.db2.gz WWIBVYLFPNBSPX-MWWKQMNYSA-N 2 0 328.460 3.131 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455179 1380281100 /nfs/dbraw/zinc/28/11/00/1380281100.db2.gz IZBPXTZVVCQWEU-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227127 1380426650 /nfs/dbraw/zinc/42/66/50/1380426650.db2.gz VBSIDRYXAGNDPY-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155262838 1380430174 /nfs/dbraw/zinc/43/01/74/1380430174.db2.gz INMUBZLEUXZQGZ-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1)C(C)C ZINC001155883761 1380502414 /nfs/dbraw/zinc/50/24/14/1380502414.db2.gz GATSYNAOKPVSDZ-QUCCMNQESA-N 2 0 347.547 3.380 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CC1 ZINC001156306015 1380555336 /nfs/dbraw/zinc/55/53/36/1380555336.db2.gz JLTUYLGZGCDNLH-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341971 1380561610 /nfs/dbraw/zinc/56/16/10/1380561610.db2.gz PJDHVBUSPFVDGE-NQIIRXRSSA-N 2 0 347.547 3.480 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475447 1380581253 /nfs/dbraw/zinc/58/12/53/1380581253.db2.gz GGIWTBVTIVHMNV-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP C[N@H+](Cc1ccc(-n2cncc2C[NH2+]Cc2ccccc2)nc1)C1CC1 ZINC001156509389 1380586251 /nfs/dbraw/zinc/58/62/51/1380586251.db2.gz UJTAVIZYIQQGDW-UHFFFAOYSA-N 2 0 347.466 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCc1ccc(C)cc1 ZINC001156517111 1380587050 /nfs/dbraw/zinc/58/70/50/1380587050.db2.gz MHBNKEMQMVHAEJ-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1C ZINC001156516971 1380587372 /nfs/dbraw/zinc/58/73/72/1380587372.db2.gz KXDQPYMQPYGFQD-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCc1ccc(C)cc1 ZINC001156529559 1380588689 /nfs/dbraw/zinc/58/86/89/1380588689.db2.gz FBBHWFADYBMHQP-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961316 1380738226 /nfs/dbraw/zinc/73/82/26/1380738226.db2.gz MJAIDGFESLSDCW-ZWKOTPCHSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157108980 1380776979 /nfs/dbraw/zinc/77/69/79/1380776979.db2.gz FLIIMGPWONSUNF-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701645 1381008038 /nfs/dbraw/zinc/00/80/38/1381008038.db2.gz GVUBZIBWWHPCJF-MGBKSAOESA-N 2 0 335.536 3.140 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157973909 1381089731 /nfs/dbraw/zinc/08/97/31/1381089731.db2.gz XXCWHZTVWVMRDY-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001158079512 1381122026 /nfs/dbraw/zinc/12/20/26/1381122026.db2.gz DGZDNIVRXRCMQB-QGZVFWFLSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC001158449484 1381248979 /nfs/dbraw/zinc/24/89/79/1381248979.db2.gz BCORUTNMHHDMGF-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473041 1381258026 /nfs/dbraw/zinc/25/80/26/1381258026.db2.gz JCCQVSCXXAWWHU-KJYWSYJISA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158616131 1381322204 /nfs/dbraw/zinc/32/22/04/1381322204.db2.gz CVVYTMJWUQFCSL-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1 ZINC001158616714 1381324031 /nfs/dbraw/zinc/32/40/31/1381324031.db2.gz RQFITGHMIPUYLZ-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158679552 1381348291 /nfs/dbraw/zinc/34/82/91/1381348291.db2.gz BITVXHFSHQKJNN-HXUWFJFHSA-N 2 0 349.563 3.386 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158750566 1381382265 /nfs/dbraw/zinc/38/22/65/1381382265.db2.gz MTPSLLJXIZKUTB-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158787175 1381400027 /nfs/dbraw/zinc/40/00/27/1381400027.db2.gz MGHFTKHLHXGNCN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001159163719 1381686861 /nfs/dbraw/zinc/68/68/61/1381686861.db2.gz CMGCZSHJHNXROC-UHFFFAOYSA-N 2 0 339.487 3.123 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC2CCCC2)CC1 ZINC001159629575 1381853777 /nfs/dbraw/zinc/85/37/77/1381853777.db2.gz ZNTVEPLZVZTQOA-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP c1ccc(N2CC[NH2+]CC2)c(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001159813237 1381908492 /nfs/dbraw/zinc/90/84/92/1381908492.db2.gz YRQHBLXUPHNXKZ-UHFFFAOYSA-N 2 0 336.483 3.436 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001159907814 1381934595 /nfs/dbraw/zinc/93/45/95/1381934595.db2.gz DCOHSEYQDJDJSP-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001159911527 1381935120 /nfs/dbraw/zinc/93/51/20/1381935120.db2.gz ZVDAOOSVQHYZLD-ICSRJNTNSA-N 2 0 343.515 3.033 20 0 EGADRP O=C(NCCC[NH2+]CCC1=CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159911493 1381935441 /nfs/dbraw/zinc/93/54/41/1381935441.db2.gz ZAXJGERQSBAHDR-FQEVSTJZSA-N 2 0 347.547 3.380 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001159916724 1381936476 /nfs/dbraw/zinc/93/64/76/1381936476.db2.gz RFCBCUPOGBONHU-YLJYHZDGSA-N 2 0 343.515 3.251 20 0 EGADRP [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc(C[NH+]4CCCC4)cn3)c2C1 ZINC001159949919 1381947043 /nfs/dbraw/zinc/94/70/43/1381947043.db2.gz SGZGGMDCSWHFBW-KRWDZBQOSA-N 2 0 346.478 3.437 20 0 EGADRP CC[NH2+]Cc1cccc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC001159956844 1381949184 /nfs/dbraw/zinc/94/91/84/1381949184.db2.gz SWSNOCJLVNQZGX-UHFFFAOYSA-N 2 0 338.499 3.287 20 0 EGADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(-n4ccnc4)cc[nH+]3)c2c1 ZINC001160013993 1381968304 /nfs/dbraw/zinc/96/83/04/1381968304.db2.gz ZRTAUJMIVCRQFE-HNNXBMFYSA-N 2 0 331.423 3.409 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](CC)CC)cc1 ZINC001160110955 1382000181 /nfs/dbraw/zinc/00/01/81/1382000181.db2.gz HDCUUZNZWXDNQH-WOJBJXKFSA-N 2 0 347.547 3.334 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131300 1382008384 /nfs/dbraw/zinc/00/83/84/1382008384.db2.gz KLOZGLCSNULBGR-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(Nc2nccnc2C[NH3+])nc1 ZINC001160249671 1382048818 /nfs/dbraw/zinc/04/88/18/1382048818.db2.gz BVRQWEPQDAEZAJ-INIZCTEOSA-N 2 0 326.448 3.011 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1)C1CC1 ZINC001160359949 1382082485 /nfs/dbraw/zinc/08/24/85/1382082485.db2.gz HDHVIFOIQKSWPI-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160359780 1382083090 /nfs/dbraw/zinc/08/30/90/1382083090.db2.gz ALZPKYDIDXKNPI-HCZHMGAMSA-N 2 0 347.547 3.211 20 0 EGADRP Cc1cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc2cc(Cl)ccc12 ZINC001160514886 1382127562 /nfs/dbraw/zinc/12/75/62/1382127562.db2.gz ZMUIHPXFMDAKMJ-SFHVURJKSA-N 2 0 330.863 3.032 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160567654 1382144593 /nfs/dbraw/zinc/14/45/93/1382144593.db2.gz IDFHDKAGOPJALP-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP COc1ccc2c(cc[nH+]c2N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160736231 1382181532 /nfs/dbraw/zinc/18/15/32/1382181532.db2.gz LGWBHGKHKGZVPU-ZIAGYGMSSA-N 2 0 325.334 3.196 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001160757684 1382188621 /nfs/dbraw/zinc/18/86/21/1382188621.db2.gz WFPWCUAHDHYTJY-IBGZPJMESA-N 2 0 337.552 3.366 20 0 EGADRP C[N@H+](CCC(=O)NCCC1=CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001160778440 1382193656 /nfs/dbraw/zinc/19/36/56/1382193656.db2.gz NOGKCBHWQOICII-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160870004 1382219874 /nfs/dbraw/zinc/21/98/74/1382219874.db2.gz UNIDFRVFDHHDKN-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP [NH3+]CCc1cn(C(F)(F)c2nc(Cl)ccc2F)c2cc[nH+]cc12 ZINC001160945975 1382246946 /nfs/dbraw/zinc/24/69/46/1382246946.db2.gz QEIXXAIRTSPAPH-UHFFFAOYSA-N 2 0 340.736 3.323 20 0 EGADRP COc1ccc2nc(-n3cc(CC[NH3+])c4c[nH+]ccc43)cc(C)c2c1 ZINC001160946039 1382247132 /nfs/dbraw/zinc/24/71/32/1382247132.db2.gz SPZOZICEXUSOJR-UHFFFAOYSA-N 2 0 332.407 3.392 20 0 EGADRP COc1cc2cnc(-n3cc(CC[NH3+])c4c[nH+]ccc43)cc2cc1OC ZINC001160951528 1382248772 /nfs/dbraw/zinc/24/87/72/1382248772.db2.gz FVXGJCKEEHLXNB-UHFFFAOYSA-N 2 0 348.406 3.092 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008339 1382270436 /nfs/dbraw/zinc/27/04/36/1382270436.db2.gz MBXMEJATVIVMQW-HOHWPDKRSA-N 2 0 347.547 3.211 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2=CC[N@H+](CCC3CCCC3)CC2)CC1 ZINC001161028674 1382276469 /nfs/dbraw/zinc/27/64/69/1382276469.db2.gz IOARZEDBMAJEIF-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CCCCCc1ccc(C(=O)N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161448273 1382414604 /nfs/dbraw/zinc/41/46/04/1382414604.db2.gz APNCXOKQZMTNIO-FQEVSTJZSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161519110 1382429751 /nfs/dbraw/zinc/42/97/51/1382429751.db2.gz YOCJABBSMAGQNT-KRWDZBQOSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001161524948 1382430458 /nfs/dbraw/zinc/43/04/58/1382430458.db2.gz PZVCRTVGBIZQLO-KRWDZBQOSA-N 2 0 345.531 3.497 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001161644800 1382468187 /nfs/dbraw/zinc/46/81/87/1382468187.db2.gz STPGVSVTPPZSDY-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161695150 1382482965 /nfs/dbraw/zinc/48/29/65/1382482965.db2.gz XVQBCJGCOJHGOV-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733934 1382491266 /nfs/dbraw/zinc/49/12/66/1382491266.db2.gz PAJDCFUBYCZEMI-WAYWQWQTSA-N 2 0 335.536 3.213 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC001161795839 1382508600 /nfs/dbraw/zinc/50/86/00/1382508600.db2.gz SEKNIRRJOJBVGY-OAHLLOKOSA-N 2 0 349.906 3.125 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924815 1382554265 /nfs/dbraw/zinc/55/42/65/1382554265.db2.gz MAHJIJDHZFOXEE-WOQGQJNTSA-N 2 0 347.547 3.354 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161937621 1382561084 /nfs/dbraw/zinc/56/10/84/1382561084.db2.gz AIEZYKCVCPBARU-UHFFFAOYSA-N 2 0 335.536 3.191 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001161938741 1382562304 /nfs/dbraw/zinc/56/23/04/1382562304.db2.gz WGXPZFLCOGGQDT-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953041 1382569687 /nfs/dbraw/zinc/56/96/87/1382569687.db2.gz OYYZWWUMLAWHFP-UYAOXDASSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953002 1382570000 /nfs/dbraw/zinc/57/00/00/1382570000.db2.gz OJCBKUVUHUKYNJ-FQEVSTJZSA-N 2 0 347.547 3.211 20 0 EGADRP Cc1ccc2c(c1)[C@H](Nc1cnc3c(c1)C[NH2+]CC3)CC21CC[NH2+]CC1 ZINC001163034396 1382952861 /nfs/dbraw/zinc/95/28/61/1382952861.db2.gz QIULFQRENIZTFK-OAQYLSRUSA-N 2 0 348.494 3.214 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc2cc(Cl)ncc2cc1OC ZINC001163128670 1382972325 /nfs/dbraw/zinc/97/23/25/1382972325.db2.gz AJDKCRMZZWWYBC-UHFFFAOYSA-N 2 0 349.866 3.175 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)nc2c(F)cccc12 ZINC001163129514 1382972504 /nfs/dbraw/zinc/97/25/04/1382972504.db2.gz LZYNQACEVPZSAL-UHFFFAOYSA-N 2 0 337.830 3.305 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1 ZINC001163241934 1383003600 /nfs/dbraw/zinc/00/36/00/1383003600.db2.gz FMBACYUSISQKOR-YLJYHZDGSA-N 2 0 343.515 3.026 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001163267933 1383008974 /nfs/dbraw/zinc/00/89/74/1383008974.db2.gz SIPNAWZBSGVCEP-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H](F)C(F)(F)CC3)c2)CC1 ZINC001163786228 1383122144 /nfs/dbraw/zinc/12/21/44/1383122144.db2.gz PJNGXLJWOQJKNV-HNNXBMFYSA-N 2 0 343.393 3.128 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC001163851587 1383129457 /nfs/dbraw/zinc/12/94/57/1383129457.db2.gz OQPQMNIEQGTFPW-IBGZPJMESA-N 2 0 343.515 3.034 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cnc5c(c4)C[NH2+]CC5)[C@H]3C2)cc1 ZINC001164491838 1383192670 /nfs/dbraw/zinc/19/26/70/1383192670.db2.gz HEXKLIQBMNTPDI-XJABCFGWSA-N 2 0 348.494 3.050 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531224 1383196501 /nfs/dbraw/zinc/19/65/01/1383196501.db2.gz BOIWHYBZBQNSCH-RTBURBONSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)nc1 ZINC001165152687 1383237743 /nfs/dbraw/zinc/23/77/43/1383237743.db2.gz VLPNCMCCJQHJMK-GUDVDZBRSA-N 2 0 328.504 3.016 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNc2cc(Br)cc3c[nH+]cn32)C1 ZINC001165299807 1383269346 /nfs/dbraw/zinc/26/93/46/1383269346.db2.gz DGHJUMGKUNSBLC-GFCCVEGCSA-N 2 0 337.265 3.241 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165332286 1383275606 /nfs/dbraw/zinc/27/56/06/1383275606.db2.gz GQEIMNOCLMGIDO-LJQANCHMSA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C)cc1 ZINC001165360052 1383281779 /nfs/dbraw/zinc/28/17/79/1383281779.db2.gz LJTXCDHYNZJVIA-KRWDZBQOSA-N 2 0 333.520 3.309 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001165485139 1383301453 /nfs/dbraw/zinc/30/14/53/1383301453.db2.gz NLLNFHYNGDJLIT-FAFZWHIHSA-N 2 0 349.563 3.029 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165568888 1383311813 /nfs/dbraw/zinc/31/18/13/1383311813.db2.gz OIGCNSHCHDKNMB-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165568524 1383312025 /nfs/dbraw/zinc/31/20/25/1383312025.db2.gz JRGWHRCBTWSLGC-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001165670596 1383322210 /nfs/dbraw/zinc/32/22/10/1383322210.db2.gz TXAVMWIHZAXTMX-HNNXBMFYSA-N 2 0 342.487 3.089 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165728373 1383334301 /nfs/dbraw/zinc/33/43/01/1383334301.db2.gz QJJGJALIYQUEHA-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328763753 1388847870 /nfs/dbraw/zinc/84/78/70/1388847870.db2.gz FYNJFYMVNIEJLG-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165926863 1383366105 /nfs/dbraw/zinc/36/61/05/1383366105.db2.gz HFCSJIWCJJMAHI-CTWPCTMYSA-N 2 0 349.563 3.029 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)c2cccc3nccn32)CC1 ZINC001166138317 1383394488 /nfs/dbraw/zinc/39/44/88/1383394488.db2.gz JWTBGFUIYCNJSC-UHFFFAOYSA-N 2 0 342.487 3.404 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F)[NH+](CC)CC ZINC001166446255 1383423265 /nfs/dbraw/zinc/42/32/65/1383423265.db2.gz AWMBRDGDIKHMOG-HOTGVXAUSA-N 2 0 347.494 3.028 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166546445 1383437116 /nfs/dbraw/zinc/43/71/16/1383437116.db2.gz ZRJLBLUHUHQLBD-AATRIKPKSA-N 2 0 335.536 3.093 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167236081 1383571743 /nfs/dbraw/zinc/57/17/43/1383571743.db2.gz HBUIPNSAIUKKQL-VOTSOKGWSA-N 2 0 349.563 3.341 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167236063 1383572102 /nfs/dbraw/zinc/57/21/02/1383572102.db2.gz GWWBGDYRTMOFGC-HKUYNNGSSA-N 2 0 349.563 3.031 20 0 EGADRP C[C@@H](C(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001300205945 1383652158 /nfs/dbraw/zinc/65/21/58/1383652158.db2.gz BFPXEVVLKZQSIC-NYUBLWNDSA-N 2 0 343.515 3.029 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)CC1 ZINC001167522971 1383657742 /nfs/dbraw/zinc/65/77/42/1383657742.db2.gz JOZVHOLMRHANJC-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)[NH+]1CCCCCC1 ZINC001167609664 1383688767 /nfs/dbraw/zinc/68/87/67/1383688767.db2.gz OKGSZNUGZISYEP-XLIONFOSSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001167610685 1383689209 /nfs/dbraw/zinc/68/92/09/1383689209.db2.gz WAONUTBSSRMVFP-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001167620163 1383690246 /nfs/dbraw/zinc/69/02/46/1383690246.db2.gz PCWGDKJUJZNCPU-AZUAARDMSA-N 2 0 345.531 3.498 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167626921 1383692299 /nfs/dbraw/zinc/69/22/99/1383692299.db2.gz HREHCEIXPNVUBR-FQEVSTJZSA-N 2 0 345.531 3.108 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167711062 1383719305 /nfs/dbraw/zinc/71/93/05/1383719305.db2.gz PXDUGRYJPPSHED-IBGZPJMESA-N 2 0 345.531 3.356 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001167812271 1383746360 /nfs/dbraw/zinc/74/63/60/1383746360.db2.gz KCPDZUODXMEIRE-QRVBRYPASA-N 2 0 349.563 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001167834476 1383753189 /nfs/dbraw/zinc/75/31/89/1383753189.db2.gz KLWHTIPJEGWDBA-RBUKOAKNSA-N 2 0 345.531 3.343 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1ccc(C)cn1)C1CC[NH2+]CC1 ZINC001167835569 1383754076 /nfs/dbraw/zinc/75/40/76/1383754076.db2.gz RHXHZIPTZPFUTG-GOSISDBHSA-N 2 0 332.536 3.459 20 0 EGADRP CC[NH+](CC)Cc1cccc(NCC[NH+]2CCSCC2)c1F ZINC001167839862 1383755544 /nfs/dbraw/zinc/75/55/44/1383755544.db2.gz VLALZLZHTFHRMM-UHFFFAOYSA-N 2 0 325.497 3.128 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001167840108 1383755869 /nfs/dbraw/zinc/75/58/69/1383755869.db2.gz DUVCSNDNKNKEHU-BBWFWOEESA-N 2 0 339.524 3.048 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(OCc2ccccc2)c(F)c1F ZINC001167878979 1383764309 /nfs/dbraw/zinc/76/43/09/1383764309.db2.gz QDKMWTCXIJYQGC-UHFFFAOYSA-N 2 0 348.397 3.219 20 0 EGADRP CC[C@H](C)[C@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001167880535 1383764383 /nfs/dbraw/zinc/76/43/83/1383764383.db2.gz BWARKVLCUXVGIV-ROUUACIJSA-N 2 0 333.520 3.184 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167974832 1383783181 /nfs/dbraw/zinc/78/31/81/1383783181.db2.gz BBOYKASHLQIFMM-UKVDTYTHSA-N 3 0 331.548 3.374 20 0 EGADRP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981833 1383786727 /nfs/dbraw/zinc/78/67/27/1383786727.db2.gz MJHDBUIWVUZLCS-HDDXRBDOSA-N 2 0 334.504 3.103 20 0 EGADRP CC(C)N1C[C@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1=O ZINC001168021552 1383798293 /nfs/dbraw/zinc/79/82/93/1383798293.db2.gz QGYPLBDJDRLWDZ-ABSDTBQOSA-N 2 0 343.515 3.027 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168020882 1383798340 /nfs/dbraw/zinc/79/83/40/1383798340.db2.gz OIAJDNIIJMPDQQ-OPVJXMOQSA-N 2 0 339.483 3.492 20 0 EGADRP CC(=O)NCCCCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026880 1383800074 /nfs/dbraw/zinc/80/00/74/1383800074.db2.gz LVAOMGHYZBGYKL-ROUUACIJSA-N 2 0 345.531 3.324 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030579 1383800163 /nfs/dbraw/zinc/80/01/63/1383800163.db2.gz QGJQCICWMLNKJF-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168031330 1383800175 /nfs/dbraw/zinc/80/01/75/1383800175.db2.gz ZBEMCQSCUPTORA-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001168029140 1383800510 /nfs/dbraw/zinc/80/05/10/1383800510.db2.gz CRUOMZQDMSHCAW-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CC([N@H+]2CC[C@@H](F)[C@@H](O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039541 1383802618 /nfs/dbraw/zinc/80/26/18/1383802618.db2.gz GIEUYSONRSOPOG-SMOSDQRPSA-N 2 0 334.479 3.223 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC[C@H]2C[NH+](C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063383 1383808704 /nfs/dbraw/zinc/80/87/04/1383808704.db2.gz NECLTKYLQXBQJY-YHELAOLJSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H](Cc1ccc(Cl)cc1)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001168190717 1383840006 /nfs/dbraw/zinc/84/00/06/1383840006.db2.gz CICFCLPXKYFEOZ-KRWDZBQOSA-N 2 0 349.950 3.230 20 0 EGADRP CC1CCC([NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC001168203578 1383842901 /nfs/dbraw/zinc/84/29/01/1383842901.db2.gz WMNLRUPSGRUWSH-UHFFFAOYSA-N 2 0 341.540 3.391 20 0 EGADRP CC1CCC([NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)CC1 ZINC001168214972 1383845738 /nfs/dbraw/zinc/84/57/38/1383845738.db2.gz JQPZEKIOILEQMW-UHFFFAOYSA-N 2 0 330.520 3.429 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001168229963 1383849674 /nfs/dbraw/zinc/84/96/74/1383849674.db2.gz DVWPMLSGSLWSAZ-NQIIRXRSSA-N 2 0 336.479 3.274 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001168291440 1383864900 /nfs/dbraw/zinc/86/49/00/1383864900.db2.gz XIHBVGYGCOEFCM-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168302313 1383867214 /nfs/dbraw/zinc/86/72/14/1383867214.db2.gz NSVFNBQXWUNTLX-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324652 1383873109 /nfs/dbraw/zinc/87/31/09/1383873109.db2.gz SQASTJVSXLEHCE-XNIRIUNOSA-N 2 0 339.524 3.237 20 0 EGADRP CC(=O)C1(c2ccccc2)CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324770 1383873183 /nfs/dbraw/zinc/87/31/83/1383873183.db2.gz XAWFPSQUAFHFEX-UHFFFAOYSA-N 2 0 328.500 3.482 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001168323790 1383873636 /nfs/dbraw/zinc/87/36/36/1383873636.db2.gz CPUFJYIDUDPKRR-GKYDQMIMSA-N 2 0 327.516 3.066 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168327222 1383873862 /nfs/dbraw/zinc/87/38/62/1383873862.db2.gz ZJWNEYKCWVHKNV-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)C1CCC([NH+](C)C)CC1 ZINC001168328533 1383874641 /nfs/dbraw/zinc/87/46/41/1383874641.db2.gz JBYUOKGESZRMOW-UHFFFAOYSA-N 2 0 327.513 3.048 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CC[NH+]1C1CCCC1 ZINC001306525646 1383894283 /nfs/dbraw/zinc/89/42/83/1383894283.db2.gz YVNBTBNZQLCOKI-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001306909389 1383919126 /nfs/dbraw/zinc/91/91/26/1383919126.db2.gz KETJNIQELYPPAO-XLIONFOSSA-N 2 0 345.531 3.346 20 0 EGADRP COc1cccc([C@@H](CNc2cc[nH+]cc2C(F)(F)F)[NH+](C)C)c1 ZINC001306908984 1383919291 /nfs/dbraw/zinc/91/92/91/1383919291.db2.gz QMQFKSKIYSUSKU-MRXNPFEDSA-N 2 0 339.361 3.246 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168591079 1383943785 /nfs/dbraw/zinc/94/37/85/1383943785.db2.gz SLUJGSDNKRSCBJ-JNIAIEOXSA-N 2 0 330.472 3.130 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([N@@H+]3CCC4(C3)CC[NH+](C)CC4)CCO2)cc1 ZINC001168666897 1383964815 /nfs/dbraw/zinc/96/48/15/1383964815.db2.gz YMLUWPYBKXLZIC-AZUAARDMSA-N 2 0 344.499 3.333 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C[NH+](CC)CC)c1ccc(Cl)cc1 ZINC001168764271 1383995629 /nfs/dbraw/zinc/99/56/29/1383995629.db2.gz WYCWJNXFEDMOLP-KRWDZBQOSA-N 2 0 339.911 3.229 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001169077889 1384103314 /nfs/dbraw/zinc/10/33/14/1384103314.db2.gz BGDHVTCOZURZBY-KOUNCHBCSA-N 2 0 341.543 3.156 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093559 1384105722 /nfs/dbraw/zinc/10/57/22/1384105722.db2.gz IMSIUPWZWJIXLJ-BURNTYAHSA-N 2 0 327.516 3.113 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)C2 ZINC001169110571 1384108739 /nfs/dbraw/zinc/10/87/39/1384108739.db2.gz MXGLKXPOKKFZRY-NNZMDNLPSA-N 2 0 349.469 3.144 20 0 EGADRP Cc1ccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(F)c1 ZINC001169110593 1384108891 /nfs/dbraw/zinc/10/88/91/1384108891.db2.gz NKIHJNMSTAZORB-OWZKRDHZSA-N 2 0 345.506 3.313 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124821 1384110712 /nfs/dbraw/zinc/11/07/12/1384110712.db2.gz UIMCXLVBKFQGGG-KMKNWIINSA-N 2 0 341.543 3.359 20 0 EGADRP CCOc1c(C[NH2+]CC2CC[NH+](CC)CC2)c(C)nn1CC(C)C ZINC001308253077 1384113445 /nfs/dbraw/zinc/11/34/45/1384113445.db2.gz CORUDJWLRHHJIQ-UHFFFAOYSA-N 2 0 336.524 3.068 20 0 EGADRP COc1cc(C)ccc1OC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169146012 1384114286 /nfs/dbraw/zinc/11/42/86/1384114286.db2.gz OCHNHCIXOMLHPT-PIIMJCKOSA-N 2 0 344.499 3.472 20 0 EGADRP CC[NH+](CC)Cc1cc(-n2ncc3c2cccc3C[NH3+])ccc1OC ZINC001169195623 1384121641 /nfs/dbraw/zinc/12/16/41/1384121641.db2.gz KPLZWFGTUBOGCR-UHFFFAOYSA-N 2 0 338.455 3.335 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(F)cc3Cl)c2)CC1 ZINC001308487932 1384128418 /nfs/dbraw/zinc/12/84/18/1384128418.db2.gz PFCCTZWTPHRROY-UHFFFAOYSA-N 2 0 334.826 3.238 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC001308671821 1384141150 /nfs/dbraw/zinc/14/11/50/1384141150.db2.gz KNWASOPTOQGSRW-HUUCEWRRSA-N 2 0 346.462 3.065 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC001308740819 1384146278 /nfs/dbraw/zinc/14/62/78/1384146278.db2.gz OMRQWTNVWPWEDR-PWRODBHTSA-N 2 0 329.532 3.138 20 0 EGADRP C[C@H](C[NH2+]C[C@@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC001308966178 1384162963 /nfs/dbraw/zinc/16/29/63/1384162963.db2.gz OJYPZJPHUCTCJK-CZUORRHYSA-N 2 0 337.305 3.484 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169799944 1384187533 /nfs/dbraw/zinc/18/75/33/1384187533.db2.gz YSHFEZSINSUIJZ-ICSRJNTNSA-N 2 0 345.531 3.162 20 0 EGADRP CS(=O)(=O)C1CCC([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001169863789 1384192774 /nfs/dbraw/zinc/19/27/74/1384192774.db2.gz MJSJSDYBLCFKAA-UHFFFAOYSA-N 2 0 346.581 3.401 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001169947131 1384202044 /nfs/dbraw/zinc/20/20/44/1384202044.db2.gz AXALYAJCLDUYNC-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001170110600 1384237796 /nfs/dbraw/zinc/23/77/96/1384237796.db2.gz ZGRMNXPXTRRBOD-HOTGVXAUSA-N 2 0 327.513 3.001 20 0 EGADRP CC[C@@H]1CC([NH2+]C2CC([NH3+])C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170476313 1384326518 /nfs/dbraw/zinc/32/65/18/1384326518.db2.gz WMEBUCBACIEFPQ-BCAXMMLOSA-N 2 0 325.497 3.022 20 0 EGADRP [NH3+]CCN(c1ccc([C@@H]2CCC[NH2+]2)cn1)C12CC3CC(CC(C3)C1)C2 ZINC001170631317 1384353777 /nfs/dbraw/zinc/35/37/77/1384353777.db2.gz TUJMHWVWYCVUQH-ILCGBQQYSA-N 2 0 340.515 3.240 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001170749629 1384377699 /nfs/dbraw/zinc/37/76/99/1384377699.db2.gz AEWWXPSXYMEWFB-QZTJIDSGSA-N 2 0 343.531 3.264 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001170784024 1384384604 /nfs/dbraw/zinc/38/46/04/1384384604.db2.gz CJHOXCARPIWICI-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170820747 1384391140 /nfs/dbraw/zinc/39/11/40/1384391140.db2.gz VUCBLADZGDTWKF-GHTZIAJQSA-N 2 0 347.547 3.242 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170855117 1384399824 /nfs/dbraw/zinc/39/98/24/1384399824.db2.gz WGZCQAGKAZFDKZ-DLBZAZTESA-N 2 0 337.305 3.380 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001170900070 1384407898 /nfs/dbraw/zinc/40/78/98/1384407898.db2.gz OTAIAVMSLQMRQC-CQSZACIVSA-N 2 0 340.349 3.328 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170974527 1384421523 /nfs/dbraw/zinc/42/15/23/1384421523.db2.gz UZZNZLISQGOPMJ-ZHALLVOQSA-N 2 0 346.490 3.434 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171098384 1384445698 /nfs/dbraw/zinc/44/56/98/1384445698.db2.gz DAWLLDNIFPCNRW-IBGZPJMESA-N 2 0 336.907 3.288 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001316603564 1384471532 /nfs/dbraw/zinc/47/15/32/1384471532.db2.gz QEFWDJGOIFDPCQ-YLJYHZDGSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001171226663 1384473667 /nfs/dbraw/zinc/47/36/67/1384473667.db2.gz JBOHOUPBYQXSJM-ROUUACIJSA-N 2 0 345.531 3.309 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171248360 1384477961 /nfs/dbraw/zinc/47/79/61/1384477961.db2.gz TUXBQAWLDMEOSW-GJWDQICYSA-N 2 0 343.943 3.266 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248383 1384478421 /nfs/dbraw/zinc/47/84/21/1384478421.db2.gz UAJQCVOSQCJLRF-QFBILLFUSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001171254541 1384479848 /nfs/dbraw/zinc/47/98/48/1384479848.db2.gz TYTGBRDXZSXMDE-YLJYHZDGSA-N 2 0 345.531 3.100 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001171261582 1384481394 /nfs/dbraw/zinc/48/13/94/1384481394.db2.gz VTEPQRLZMIILOF-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP [NH3+]Cc1ccc2cn(-c3ccc(SC4CC[NH2+]CC4)cc3)nc2c1 ZINC001171327092 1384495800 /nfs/dbraw/zinc/49/58/00/1384495800.db2.gz IUFYEWNPJAQLQW-UHFFFAOYSA-N 2 0 338.480 3.328 20 0 EGADRP Fc1cccc2c1CC[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001171411408 1384515712 /nfs/dbraw/zinc/51/57/12/1384515712.db2.gz IRDBDCMYSNBXCI-SFHVURJKSA-N 2 0 346.490 3.164 20 0 EGADRP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171412222 1384516127 /nfs/dbraw/zinc/51/61/27/1384516127.db2.gz SWJLUCWCUGRPPE-GOSISDBHSA-N 2 0 339.458 3.114 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001171500661 1384542779 /nfs/dbraw/zinc/54/27/79/1384542779.db2.gz NEJNUQCLPNVJAC-UYAOXDASSA-N 2 0 347.547 3.408 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171506501 1384544976 /nfs/dbraw/zinc/54/49/76/1384544976.db2.gz YTURLXQXNWITAE-CQSZACIVSA-N 2 0 326.406 3.283 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171545298 1384558711 /nfs/dbraw/zinc/55/87/11/1384558711.db2.gz DHCOVJXQQNOEOI-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171545293 1384558798 /nfs/dbraw/zinc/55/87/98/1384558798.db2.gz DHCOVJXQQNOEOI-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171548002 1384559408 /nfs/dbraw/zinc/55/94/08/1384559408.db2.gz ZKANIUUBVCGYNC-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171547999 1384559521 /nfs/dbraw/zinc/55/95/21/1384559521.db2.gz ZKANIUUBVCGYNC-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001171608244 1384578814 /nfs/dbraw/zinc/57/88/14/1384578814.db2.gz GECADRAQMBGUCV-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@@H](CO)Cc2ccccc2Cl)CC1(C)C ZINC001171623430 1384582874 /nfs/dbraw/zinc/58/28/74/1384582874.db2.gz YJLVBYLEDDPGEV-OAHLLOKOSA-N 2 0 338.923 3.484 20 0 EGADRP C[NH+]1C(C)(C)CC(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1(C)C ZINC001171623575 1384583023 /nfs/dbraw/zinc/58/30/23/1384583023.db2.gz CRFJBTFJWMGRBG-PMOLBWCYSA-N 3 0 341.543 3.358 20 0 EGADRP CC(C)C(=O)N[C@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171627303 1384585033 /nfs/dbraw/zinc/58/50/33/1384585033.db2.gz OLSXGKGHJLPTKS-WKILWMFISA-N 2 0 337.552 3.311 20 0 EGADRP COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629662 1384585671 /nfs/dbraw/zinc/58/56/71/1384585671.db2.gz BFQHAIDRNDGKPK-LCSXWQTCSA-N 2 0 336.520 3.205 20 0 EGADRP C[NH+]1C(C)(C)CC([NH+]2CC(CNC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631750 1384586558 /nfs/dbraw/zinc/58/65/58/1384586558.db2.gz NFHAYBUBZJDJHH-UHFFFAOYSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)N1CC2(CC1=O)CC[NH+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171641974 1384589425 /nfs/dbraw/zinc/58/94/25/1384589425.db2.gz YGDSICZTBJBCLH-UHFFFAOYSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171645825 1384591331 /nfs/dbraw/zinc/59/13/31/1384591331.db2.gz CKJQMPIRWIYDRZ-MOPGFXCFSA-N 2 0 337.552 3.338 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646764 1384591585 /nfs/dbraw/zinc/59/15/85/1384591585.db2.gz PHIFWAZHCXLQKE-RBUKOAKNSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674692 1384598395 /nfs/dbraw/zinc/59/83/95/1384598395.db2.gz QJSQBBJCMXNLPJ-GOSISDBHSA-N 2 0 343.515 3.080 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171813777 1384648130 /nfs/dbraw/zinc/64/81/30/1384648130.db2.gz DQVVEORSFGUABR-MUJYYYPQSA-N 2 0 327.513 3.272 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171877400 1384668407 /nfs/dbraw/zinc/66/84/07/1384668407.db2.gz OWCGPWVMIDNEDK-SLFFLAALSA-N 2 0 343.515 3.144 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894850 1384672856 /nfs/dbraw/zinc/67/28/56/1384672856.db2.gz LJUWMKFOUMHOLP-FQEVSTJZSA-N 2 0 343.515 3.099 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171924767 1384684071 /nfs/dbraw/zinc/68/40/71/1384684071.db2.gz UETCRXQWIPLLBS-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171924332 1384684154 /nfs/dbraw/zinc/68/41/54/1384684154.db2.gz NRCGKQPNXIEVCA-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171964188 1384697614 /nfs/dbraw/zinc/69/76/14/1384697614.db2.gz LRTCPXRTDRUSBF-CYBMUJFWSA-N 2 0 344.425 3.092 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969195 1384698777 /nfs/dbraw/zinc/69/87/77/1384698777.db2.gz UJMIUHPKWRTCRR-PMACEKPBSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977920 1384702366 /nfs/dbraw/zinc/70/23/66/1384702366.db2.gz UWUCDDYLCXRHOF-YZGWKJHDSA-N 2 0 329.532 3.359 20 0 EGADRP O[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC001172063745 1384714851 /nfs/dbraw/zinc/71/48/51/1384714851.db2.gz CDYRTHSMQPLVIH-YSTOQKLRSA-N 2 0 340.467 3.488 20 0 EGADRP O[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067197 1384716354 /nfs/dbraw/zinc/71/63/54/1384716354.db2.gz LGTDCWHWTRHQBX-YMQHIKHWSA-N 2 0 328.500 3.465 20 0 EGADRP CCOC(=O)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069394 1384718762 /nfs/dbraw/zinc/71/87/62/1384718762.db2.gz UFASRHUNSKGNHN-REPLKXPHSA-N 2 0 330.472 3.115 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001316949355 1384722014 /nfs/dbraw/zinc/72/20/14/1384722014.db2.gz QFOXPHYWCYEPQB-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103601 1384726784 /nfs/dbraw/zinc/72/67/84/1384726784.db2.gz WFUHTWDTNKGTQY-BURNTYAHSA-N 2 0 327.516 3.256 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001316957627 1384727763 /nfs/dbraw/zinc/72/77/63/1384727763.db2.gz ZYYHFFKYGIHREP-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(N3CCCOC3=O)c1)C2 ZINC001172110956 1384729238 /nfs/dbraw/zinc/72/92/38/1384729238.db2.gz RKLORWYTTDZRRJ-NNZMDNLPSA-N 2 0 343.471 3.138 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC3(CCC[NH+]3CC3CC3)CC1)C2 ZINC001172115459 1384731246 /nfs/dbraw/zinc/73/12/46/1384731246.db2.gz BJBMWJFEWUJSFA-PMOLBWCYSA-N 2 0 331.548 3.342 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC001316981287 1384739242 /nfs/dbraw/zinc/73/92/42/1384739242.db2.gz ORTMTFVOKIZLRJ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172161238 1384740020 /nfs/dbraw/zinc/74/00/20/1384740020.db2.gz UJJWUPCJNNAPGU-WNHJNPCNSA-N 2 0 333.520 3.044 20 0 EGADRP [NH3+]C1(Cc2cccc(Cl)c2)CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235178 1384753736 /nfs/dbraw/zinc/75/37/36/1384753736.db2.gz DTTLDMFZWJHBPH-AYHJJNSGSA-N 2 0 332.875 3.162 20 0 EGADRP COCCC[NH+]1CCC(Nc2ccc(C[NH3+])c(C(F)(F)F)c2)CC1 ZINC001172247501 1384755790 /nfs/dbraw/zinc/75/57/90/1384755790.db2.gz JWYVKEHWFDMKTO-UHFFFAOYSA-N 2 0 345.409 3.077 20 0 EGADRP CCCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCC2CC2)CC1 ZINC001317006324 1384768385 /nfs/dbraw/zinc/76/83/85/1384768385.db2.gz SCLJLWMLMBQZFP-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)C1 ZINC001172381783 1384782004 /nfs/dbraw/zinc/78/20/04/1384782004.db2.gz ICCAKCBXLHFXOB-YWTNHNAXSA-N 2 0 336.520 3.161 20 0 EGADRP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC001172538266 1384810168 /nfs/dbraw/zinc/81/01/68/1384810168.db2.gz OAYVVQNUTDTLRB-WOJBJXKFSA-N 2 0 329.532 3.328 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172562274 1384811804 /nfs/dbraw/zinc/81/18/04/1384811804.db2.gz XJIALXCTXRKLDP-CTNGQTDRSA-N 2 0 327.516 3.035 20 0 EGADRP C[NH+]1CCN(c2cccc(C[NH2+]C3CC(C)(C)OC(C)(C)C3)c2)CC1 ZINC001172643887 1384825615 /nfs/dbraw/zinc/82/56/15/1384825615.db2.gz DFEHGPHTRYVPOL-UHFFFAOYSA-N 2 0 345.531 3.264 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172717155 1384835560 /nfs/dbraw/zinc/83/55/60/1384835560.db2.gz QLNKGMLGKQAUIN-QGZVFWFLSA-N 2 0 337.939 3.283 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([N@H+](C)C3CCOCC3)CC1)CC2 ZINC001172840919 1384863773 /nfs/dbraw/zinc/86/37/73/1384863773.db2.gz DAHNYOUTMUIPFN-QFIPXVFZSA-N 2 0 342.527 3.428 20 0 EGADRP CC[N@@H+]1CCO[C@@H]2CN([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869457 1384868984 /nfs/dbraw/zinc/86/89/84/1384868984.db2.gz ZTTUMUGOCQSGGI-DHSIGJKJSA-N 2 0 340.870 3.063 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054905 1384903023 /nfs/dbraw/zinc/90/30/23/1384903023.db2.gz QNUBXIGVAPDXBZ-IRXDYDNUSA-N 2 0 341.540 3.486 20 0 EGADRP CCCOC1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001173094065 1384913015 /nfs/dbraw/zinc/91/30/15/1384913015.db2.gz RBKPGZDVPSSSCY-UHFFFAOYSA-N 2 0 338.536 3.205 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001173105075 1384915647 /nfs/dbraw/zinc/91/56/47/1384915647.db2.gz ZRCWCPVUVLXFJZ-JMLCCBQJSA-N 2 0 326.431 3.241 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2(Cc3ccccn3)CCOCC2)CC1 ZINC001173107185 1384915992 /nfs/dbraw/zinc/91/59/92/1384915992.db2.gz XWBWGHJMANDKIP-UHFFFAOYSA-N 2 0 345.531 3.416 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(OCC3CC3)ncn2)CC1 ZINC001173106731 1384916008 /nfs/dbraw/zinc/91/60/08/1384916008.db2.gz QZBIBBLVAVXLBF-UHFFFAOYSA-N 2 0 332.492 3.008 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3ncnc(C4CC4)c3CC2)CC1 ZINC001173110102 1384917049 /nfs/dbraw/zinc/91/70/49/1384917049.db2.gz HLRORXFFMZYNJD-UHFFFAOYSA-N 2 0 342.531 3.408 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCc2ccccc2C(=O)OC)CC1 ZINC001173111014 1384917141 /nfs/dbraw/zinc/91/71/41/1384917141.db2.gz WPSJMCSJCGWBRR-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3cccnc3)CCOCC2)CC1 ZINC001173110259 1384917323 /nfs/dbraw/zinc/91/73/23/1384917323.db2.gz MDFGUNOSBQGZFX-UHFFFAOYSA-N 2 0 345.531 3.372 20 0 EGADRP CC[NH+](CC)C1CCC(N(c2ccncc2F)C2CC[NH2+]CC2)CC1 ZINC001173113965 1384917958 /nfs/dbraw/zinc/91/79/58/1384917958.db2.gz QBKKTRUHUZQHKQ-UHFFFAOYSA-N 2 0 348.510 3.432 20 0 EGADRP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2ncsc2C1 ZINC001173135539 1384921674 /nfs/dbraw/zinc/92/16/74/1384921674.db2.gz MWIXRKABZHYQGR-LSDHHAIUSA-N 2 0 349.544 3.012 20 0 EGADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001173160213 1384926594 /nfs/dbraw/zinc/92/65/94/1384926594.db2.gz KLHNKFRCQHEZIL-ULQDDVLXSA-N 2 0 332.488 3.241 20 0 EGADRP COc1cccc2c1C[C@@H]([NH+]1CCC(C3CC[NH+](C)CC3)CC1)CO2 ZINC001173162302 1384927769 /nfs/dbraw/zinc/92/77/69/1384927769.db2.gz VPZRYXPIYCBPON-GOSISDBHSA-N 2 0 344.499 3.053 20 0 EGADRP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccccc1)C[C@H](C)C[NH3+])CO2 ZINC001173165047 1384928445 /nfs/dbraw/zinc/92/84/45/1384928445.db2.gz RKENTQJKHZTMAP-SJLPKXTDSA-N 2 0 340.467 3.096 20 0 EGADRP CCc1ccc(C[C@H](C)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001173248215 1384944255 /nfs/dbraw/zinc/94/42/55/1384944255.db2.gz SMQYIEFGUKWENC-IBGZPJMESA-N 2 0 343.559 3.139 20 0 EGADRP CCc1ccc(C[C@@H](C)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001173248216 1384944835 /nfs/dbraw/zinc/94/48/35/1384944835.db2.gz SMQYIEFGUKWENC-LJQANCHMSA-N 2 0 343.559 3.139 20 0 EGADRP CCc1ccc(C[C@H](C)[NH+]2CCN(CC[NH+](CC)CC)CC2)cc1 ZINC001173253929 1384945655 /nfs/dbraw/zinc/94/56/55/1384945655.db2.gz YCFJGHJLLKGGNB-IBGZPJMESA-N 2 0 331.548 3.139 20 0 EGADRP COC(=O)CCCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173455611 1384974199 /nfs/dbraw/zinc/97/41/99/1384974199.db2.gz RFNPPBCWIYRSDG-RLLQIKCJSA-N 2 0 344.499 3.172 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC([NH3+])(CC3CCC3)CC1)CC2 ZINC001173607854 1384987265 /nfs/dbraw/zinc/98/72/65/1384987265.db2.gz RCEPXRHIESQWMZ-FDYSRKEFSA-N 2 0 348.531 3.482 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173658561 1384998220 /nfs/dbraw/zinc/99/82/20/1384998220.db2.gz QSSADFRCGHPCSZ-FCGDIQPGSA-N 2 0 336.520 3.447 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCN(CC(F)(F)F)CC1 ZINC001173673250 1385001071 /nfs/dbraw/zinc/00/10/71/1385001071.db2.gz JQCYGAWFFOZFNA-IRXDYDNUSA-N 2 0 347.469 3.352 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173684999 1385003338 /nfs/dbraw/zinc/00/33/38/1385003338.db2.gz YYNLGXBLNVKQNE-UHFFFAOYSA-N 2 0 341.543 3.040 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H](CCC[NH3+])C2)cc1 ZINC001173719913 1385008627 /nfs/dbraw/zinc/00/86/27/1385008627.db2.gz JJFZGEIISHHJQW-SJLPKXTDSA-N 2 0 332.488 3.245 20 0 EGADRP [NH3+]CCCCCCCCCCC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173752206 1385013160 /nfs/dbraw/zinc/01/31/60/1385013160.db2.gz OWYZLFVGKNVSCW-MSOLQXFVSA-N 2 0 336.528 3.216 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1c(F)cccc1N1CC[NH+](C)CC1 ZINC001173930282 1385033257 /nfs/dbraw/zinc/03/32/57/1385033257.db2.gz BKWZIHVBLJDEDP-UHFFFAOYSA-N 2 0 342.462 3.383 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001317275070 1385044143 /nfs/dbraw/zinc/04/41/43/1385044143.db2.gz ITRKHQANHWTAOK-SFHVURJKSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1F ZINC001317416385 1385125829 /nfs/dbraw/zinc/12/58/29/1385125829.db2.gz VCKGQEXHMGCHRS-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649180 1385129949 /nfs/dbraw/zinc/12/99/49/1385129949.db2.gz ARUYWMKREMIDMZ-QGZVFWFLSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649776 1385129975 /nfs/dbraw/zinc/12/99/75/1385129975.db2.gz JLLDADJMRUMEJZ-GOSISDBHSA-N 2 0 345.531 3.326 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)C1 ZINC001174881178 1385164234 /nfs/dbraw/zinc/16/42/34/1385164234.db2.gz IUEHDMDHYLYVNX-CFMJQPPZSA-N 2 0 343.943 3.126 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001317471688 1385166323 /nfs/dbraw/zinc/16/63/23/1385166323.db2.gz NWBNZIXEEDMXOZ-FQEVSTJZSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](CCCC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CCC[NH+](C)C ZINC001174947430 1385172640 /nfs/dbraw/zinc/17/26/40/1385172640.db2.gz AWMYBIVFVVSSRV-HZPDHXFCSA-N 2 0 347.494 3.028 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001174947453 1385172765 /nfs/dbraw/zinc/17/27/65/1385172765.db2.gz BEKGGTUZMRYNDJ-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001175115175 1385197585 /nfs/dbraw/zinc/19/75/85/1385197585.db2.gz MPIHXCSWIFHKHS-PKOBYXMFSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC001335940741 1388971435 /nfs/dbraw/zinc/97/14/35/1388971435.db2.gz FXVOOEOBPTUZBZ-HXUWFJFHSA-N 2 0 342.483 3.056 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255039 1385230244 /nfs/dbraw/zinc/23/02/44/1385230244.db2.gz BVVXYNWRABVVRP-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175274009 1385237677 /nfs/dbraw/zinc/23/76/77/1385237677.db2.gz ZXIABFXLEDIPOQ-SFHVURJKSA-N 2 0 349.563 3.483 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295613 1385242107 /nfs/dbraw/zinc/24/21/07/1385242107.db2.gz HLZRHDMZMFOILN-SJORKVTESA-N 2 0 327.557 3.275 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175298117 1385243214 /nfs/dbraw/zinc/24/32/14/1385243214.db2.gz ZXEKUDRYHSRSOV-QGZVFWFLSA-N 2 0 325.541 3.195 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001175315545 1385250266 /nfs/dbraw/zinc/25/02/66/1385250266.db2.gz GKCXUKMLLCZTDU-BGWZULKNSA-N 2 0 345.531 3.305 20 0 EGADRP COC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(Br)c1 ZINC001335948194 1388973187 /nfs/dbraw/zinc/97/31/87/1388973187.db2.gz OQJBCCBRMUPVDR-VDSRIPIWSA-N 2 0 341.293 3.244 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)c1ccccc1F ZINC001317544678 1385289119 /nfs/dbraw/zinc/28/91/19/1385289119.db2.gz AQLYJSUNPQPXOC-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)c1ccccc1F ZINC001317544684 1385289155 /nfs/dbraw/zinc/28/91/55/1385289155.db2.gz AQLYJSUNPQPXOC-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC001317544716 1385289386 /nfs/dbraw/zinc/28/93/86/1385289386.db2.gz RDJWRORMBYUNOE-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001175582135 1385339703 /nfs/dbraw/zinc/33/97/03/1385339703.db2.gz YOPUUOYITAGHJK-HFCFLWKCSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001317645802 1385371475 /nfs/dbraw/zinc/37/14/75/1385371475.db2.gz DUTHJXBOGQIVND-MRXNPFEDSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC001335985269 1388983373 /nfs/dbraw/zinc/98/33/73/1388983373.db2.gz BXMUFMVWDNRBIV-MOPGFXCFSA-N 2 0 348.531 3.062 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175875139 1385427787 /nfs/dbraw/zinc/42/77/87/1385427787.db2.gz YINXSSXHSFZDHD-ZMBJWTFHSA-N 2 0 337.552 3.339 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175966519 1385446817 /nfs/dbraw/zinc/44/68/17/1385446817.db2.gz CCKIYQNQJRZGHY-QGZVFWFLSA-N 2 0 325.541 3.027 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001317769721 1385460495 /nfs/dbraw/zinc/46/04/95/1385460495.db2.gz JCEZTNDCFYQMHD-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192615 1385508304 /nfs/dbraw/zinc/50/83/04/1385508304.db2.gz NRTYLNUFYYVUOX-JKSUJKDBSA-N 2 0 334.508 3.072 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231838 1385522496 /nfs/dbraw/zinc/52/24/96/1385522496.db2.gz XRKOMSKQDTYHCP-LJQANCHMSA-N 2 0 347.547 3.492 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176317036 1385550100 /nfs/dbraw/zinc/55/01/00/1385550100.db2.gz CBKDUDVZABCMNM-SFHVURJKSA-N 2 0 325.541 3.031 20 0 EGADRP CC[NH+](CC)C1CCN(C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC001317902535 1385566030 /nfs/dbraw/zinc/56/60/30/1385566030.db2.gz FWXILXSRGZEPES-HXUWFJFHSA-N 2 0 348.531 3.158 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001317937053 1385576830 /nfs/dbraw/zinc/57/68/30/1385576830.db2.gz VPXXSNLDSLGTIT-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728617 1385674192 /nfs/dbraw/zinc/67/41/92/1385674192.db2.gz MRHXLGSXUJJOJW-HMECNJMJSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753349 1385683785 /nfs/dbraw/zinc/68/37/85/1385683785.db2.gz GNEQEKSOIGBYPE-ZWKOTPCHSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001176754679 1385685102 /nfs/dbraw/zinc/68/51/02/1385685102.db2.gz XYVVMSRIQUJTEZ-GNTDJUHISA-N 2 0 343.943 3.124 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176759565 1385685683 /nfs/dbraw/zinc/68/56/83/1385685683.db2.gz JZODPCHDMFOOAO-QZTJIDSGSA-N 2 0 333.520 3.352 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)CCCC[NH+]1CCCC1 ZINC001176816203 1385712268 /nfs/dbraw/zinc/71/22/68/1385712268.db2.gz YWTDJQAVPDBEEX-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001176844195 1385722213 /nfs/dbraw/zinc/72/22/13/1385722213.db2.gz GDKPYIIPBXLIRU-ROUUACIJSA-N 2 0 345.531 3.279 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176934247 1385748016 /nfs/dbraw/zinc/74/80/16/1385748016.db2.gz URMAAWFZDPYUPO-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001176948364 1385752422 /nfs/dbraw/zinc/75/24/22/1385752422.db2.gz TVHDBGKNYYFRCG-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001176985995 1385764116 /nfs/dbraw/zinc/76/41/16/1385764116.db2.gz AQBHDMOXTVMVGY-HXUWFJFHSA-N 2 0 345.531 3.082 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001176992066 1385766105 /nfs/dbraw/zinc/76/61/05/1385766105.db2.gz IKPVQTRAQNMBEN-AZUAARDMSA-N 2 0 345.531 3.335 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccc(F)cc1 ZINC001176992663 1385767352 /nfs/dbraw/zinc/76/73/52/1385767352.db2.gz WZQLUXVWNWFORP-RTBURBONSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCC1CCCCC1)[NH+]1CCCC1 ZINC001176999268 1385768934 /nfs/dbraw/zinc/76/89/34/1385768934.db2.gz SHMPRTQWHOBZDG-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)N(C)c1ccccc1 ZINC001177262882 1385889094 /nfs/dbraw/zinc/88/90/94/1385889094.db2.gz ZRMOFWJJPAMBST-GOSISDBHSA-N 2 0 341.499 3.242 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2)o1 ZINC001177317938 1385911820 /nfs/dbraw/zinc/91/18/20/1385911820.db2.gz NKRSQOJUVFYTMZ-UHFFFAOYSA-N 2 0 343.471 3.031 20 0 EGADRP CC/C=C\CC[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177317974 1385912261 /nfs/dbraw/zinc/91/22/61/1385912261.db2.gz PWYJMAHUBLTWCL-FPLPWBNLSA-N 2 0 335.492 3.187 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001177319439 1385913140 /nfs/dbraw/zinc/91/31/40/1385913140.db2.gz LCBLQRMYWARKET-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177332767 1385917404 /nfs/dbraw/zinc/91/74/04/1385917404.db2.gz RYOBHYTXDBFBNM-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001177339266 1385918905 /nfs/dbraw/zinc/91/89/05/1385918905.db2.gz AOZJQZPUORHXJM-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1)C1CC1 ZINC001177339627 1385919742 /nfs/dbraw/zinc/91/97/42/1385919742.db2.gz MBXZEOLDUMJPPL-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)C1(C(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)CCC1 ZINC001177339854 1385919930 /nfs/dbraw/zinc/91/99/30/1385919930.db2.gz RYAPWLQSFIAEOP-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(C[NH+]1CCCC1)N(CCC[NH2+]CC1CCCC1)CC1CCCC1 ZINC001177481113 1385972937 /nfs/dbraw/zinc/97/29/37/1385972937.db2.gz JFSDLHIOUDWNPP-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001319228603 1386015350 /nfs/dbraw/zinc/01/53/50/1386015350.db2.gz IZSHTEOTCVNZKD-PKOBYXMFSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001319363281 1386081002 /nfs/dbraw/zinc/08/10/02/1386081002.db2.gz WDIMXSVFHOIOMY-SFHVURJKSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1F ZINC001178045277 1386114519 /nfs/dbraw/zinc/11/45/19/1386114519.db2.gz HVHLQAFQOUZAAB-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001178045764 1386115471 /nfs/dbraw/zinc/11/54/71/1386115471.db2.gz UUSJURCCXRNKPU-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001319478796 1386139666 /nfs/dbraw/zinc/13/96/66/1386139666.db2.gz VTGNOYSRIGBACI-RHSMWYFYSA-N 2 0 347.528 3.178 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001319559482 1386178371 /nfs/dbraw/zinc/17/83/71/1386178371.db2.gz SBSBPMFZTPMMGM-SJORKVTESA-N 2 0 345.531 3.015 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178486722 1386232695 /nfs/dbraw/zinc/23/26/95/1386232695.db2.gz GDYCMDDPNZADJG-QGZVFWFLSA-N 2 0 343.531 3.265 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178688240 1386277754 /nfs/dbraw/zinc/27/77/54/1386277754.db2.gz IFAJOONJSZQNPI-IBGZPJMESA-N 2 0 339.568 3.277 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698724 1386282384 /nfs/dbraw/zinc/28/23/84/1386282384.db2.gz RUZKBXKZLBHCTC-MJGOQNOKSA-N 2 0 339.568 3.275 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178853258 1386329326 /nfs/dbraw/zinc/32/93/26/1386329326.db2.gz FUAIVIRELNZJGC-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCC2 ZINC001178916644 1386348027 /nfs/dbraw/zinc/34/80/27/1386348027.db2.gz LBCCCWGFIJDPFB-UXHICEINSA-N 2 0 344.499 3.208 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178920638 1386349322 /nfs/dbraw/zinc/34/93/22/1386349322.db2.gz CCYOJXXWFVCMJU-QZTJIDSGSA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178921147 1386350165 /nfs/dbraw/zinc/35/01/65/1386350165.db2.gz ZGFKLVNIUSGHNJ-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)c1ccc2c[nH+]cn2c1 ZINC001179026258 1386380487 /nfs/dbraw/zinc/38/04/87/1386380487.db2.gz UFIHGYBFTZVSQN-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001319918570 1386390983 /nfs/dbraw/zinc/39/09/83/1386390983.db2.gz QHXKTPIFAJIREX-CRAIPNDOSA-N 2 0 349.494 3.101 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179146142 1386410380 /nfs/dbraw/zinc/41/03/80/1386410380.db2.gz QFKCKTVYYBUNBF-KCVJVMPHSA-N 2 0 340.471 3.273 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212580 1386425492 /nfs/dbraw/zinc/42/54/92/1386425492.db2.gz PYIUAYUXMUYFAN-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP Cc1ccc(CC[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)cc1 ZINC001179400320 1386475170 /nfs/dbraw/zinc/47/51/70/1386475170.db2.gz KOKZYAZZNVNWRR-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001179439058 1386483167 /nfs/dbraw/zinc/48/31/67/1386483167.db2.gz DXSDHKAFHDVFNR-UHOSZYNNSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC/C=C\c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001179439363 1386484085 /nfs/dbraw/zinc/48/40/85/1386484085.db2.gz LRLFDYQUJXRQOR-FJUFFASXSA-N 2 0 343.515 3.011 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC001179580571 1386521395 /nfs/dbraw/zinc/52/13/95/1386521395.db2.gz ISTNHXCCFFYTJX-IBGZPJMESA-N 2 0 345.531 3.246 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001179580664 1386522431 /nfs/dbraw/zinc/52/24/31/1386522431.db2.gz LSMLIWMLRJGVNG-RBUKOAKNSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580874 1386522680 /nfs/dbraw/zinc/52/26/80/1386522680.db2.gz UHKOTRDBYWYGRO-MOPGFXCFSA-N 2 0 339.568 3.419 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001179592967 1386526261 /nfs/dbraw/zinc/52/62/61/1386526261.db2.gz SDULWCMKRHAKES-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179651038 1386540014 /nfs/dbraw/zinc/54/00/14/1386540014.db2.gz DGDOTNIMWVDIPL-FHWLQOOXSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652049 1386540952 /nfs/dbraw/zinc/54/09/52/1386540952.db2.gz MFDCAPUCYFQBPU-OTWHNJEPSA-N 2 0 337.552 3.410 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179744389 1386569145 /nfs/dbraw/zinc/56/91/45/1386569145.db2.gz ODRLYMBINQEIPM-HBFSDRIKSA-N 2 0 345.531 3.285 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001179762904 1386575422 /nfs/dbraw/zinc/57/54/22/1386575422.db2.gz AMODSVGYLTYECP-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001179763989 1386575464 /nfs/dbraw/zinc/57/54/64/1386575464.db2.gz SJSQBKNCPBKYFU-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001320359074 1386586558 /nfs/dbraw/zinc/58/65/58/1386586558.db2.gz GDKDDKSIGDCATB-XLIONFOSSA-N 2 0 338.499 3.005 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H]1C ZINC001179860907 1386609811 /nfs/dbraw/zinc/60/98/11/1386609811.db2.gz AVNVZJOESRUKSS-KPHVFVAGSA-N 2 0 343.515 3.011 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001179898888 1386622417 /nfs/dbraw/zinc/62/24/17/1386622417.db2.gz CMSYSRREGYQXDQ-WUPMPMNESA-N 2 0 347.547 3.044 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001179989206 1386659577 /nfs/dbraw/zinc/65/95/77/1386659577.db2.gz UQZNZZLAKCEMRA-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001179989283 1386659977 /nfs/dbraw/zinc/65/99/77/1386659977.db2.gz XOWFMISDIQODOM-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001180060684 1386683661 /nfs/dbraw/zinc/68/36/61/1386683661.db2.gz LNDBBVLTXBPBPV-GOSISDBHSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065588 1386685384 /nfs/dbraw/zinc/68/53/84/1386685384.db2.gz UXPNJFXIYCMUHB-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001180077553 1386690009 /nfs/dbraw/zinc/69/00/09/1386690009.db2.gz ZPSDXBNQXGVIPS-UHFFFAOYSA-N 2 0 348.535 3.464 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001180077374 1386690172 /nfs/dbraw/zinc/69/01/72/1386690172.db2.gz VAEPMAHDWLQVEX-UHFFFAOYSA-N 2 0 348.535 3.464 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001180123208 1386704151 /nfs/dbraw/zinc/70/41/51/1386704151.db2.gz AVQOUQASXJPEAD-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001180124345 1386704456 /nfs/dbraw/zinc/70/44/56/1386704456.db2.gz VJSPAWBKFIKVJV-GOSISDBHSA-N 2 0 327.557 3.277 20 0 EGADRP C[C@@H]1CCCC[C@]1(C[NH2+]Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001698662848 1406313693 /nfs/dbraw/zinc/31/36/93/1406313693.db2.gz NLKDAHCPABDDJJ-WIYYLYMNSA-N 2 0 345.531 3.183 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCCCCC[NH2+]CC2CCC2)c1 ZINC001180356864 1386773310 /nfs/dbraw/zinc/77/33/10/1386773310.db2.gz JJAKQLHVCVTFHQ-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001180372652 1386777728 /nfs/dbraw/zinc/77/77/28/1386777728.db2.gz FXUOYQVREDZOEU-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)c2)CC1 ZINC001321267078 1386861590 /nfs/dbraw/zinc/86/15/90/1386861590.db2.gz HSLFKZHZDMUHAO-LEWJYISDSA-N 2 0 347.522 3.442 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCC1CCCCC1 ZINC001180899536 1386894485 /nfs/dbraw/zinc/89/44/85/1386894485.db2.gz OUNAMLSTTHDVSI-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C)cc1Cl ZINC001181483885 1387002135 /nfs/dbraw/zinc/00/21/35/1387002135.db2.gz AXFQZDMLNQWPIP-SFHVURJKSA-N 2 0 337.939 3.496 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181727897 1387046747 /nfs/dbraw/zinc/04/67/47/1387046747.db2.gz FLLAXNYOXGTZMP-SFHLNBCPSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001181896618 1387072058 /nfs/dbraw/zinc/07/20/58/1387072058.db2.gz PRKSQCKZVQFKRL-VGUOSERISA-N 2 0 345.531 3.162 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181904737 1387074374 /nfs/dbraw/zinc/07/43/74/1387074374.db2.gz VDRJXIINGPKCMP-QWFCFKBJSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001322156498 1387080241 /nfs/dbraw/zinc/08/02/41/1387080241.db2.gz KCOHTIFEPVEMCR-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322245113 1387118280 /nfs/dbraw/zinc/11/82/80/1387118280.db2.gz TXONASAQLWWWOC-GFBZKKKVSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CCC[NH+](C)C)cc1 ZINC001322353700 1387167140 /nfs/dbraw/zinc/16/71/40/1387167140.db2.gz GZKRTFMOXMOCQQ-PMACEKPBSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CC1CCCCCC1 ZINC001329586609 1389167624 /nfs/dbraw/zinc/16/76/24/1389167624.db2.gz DRFYWJSCYZFLQO-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC001336785281 1389168836 /nfs/dbraw/zinc/16/88/36/1389168836.db2.gz NHODQVDIIWQYTK-BLLLJJGKSA-N 2 0 328.859 3.223 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cnc(CC(F)(F)F)s3)C[C@@H]2C1 ZINC001336889352 1389197472 /nfs/dbraw/zinc/19/74/72/1389197472.db2.gz SLJNQCLXICCDJN-RWMBFGLXSA-N 2 0 347.450 3.410 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001331031749 1389603318 /nfs/dbraw/zinc/60/33/18/1389603318.db2.gz ZHYZLBMBELSFHV-MJGOQNOKSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001332134819 1390002439 /nfs/dbraw/zinc/00/24/39/1390002439.db2.gz JOXVZDQQRPAQPK-OAHLLOKOSA-N 2 0 343.393 3.223 20 0 EGADRP COc1cccc(N2CCC([NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)CC2)c1 ZINC001332422232 1390112118 /nfs/dbraw/zinc/11/21/18/1390112118.db2.gz USOJQZKJXQDCIT-HSALFYBXSA-N 2 0 343.515 3.030 20 0 EGADRP [NH3+]C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCCC1 ZINC001340871577 1390389956 /nfs/dbraw/zinc/38/99/56/1390389956.db2.gz IOXONKCDYSDNQX-MOPGFXCFSA-N 2 0 335.536 3.009 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001333839731 1390419561 /nfs/dbraw/zinc/41/95/61/1390419561.db2.gz BWMUIOSBKDINJP-OFQRWUPVSA-N 2 0 346.906 3.389 20 0 EGADRP COc1ccc(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)nc1 ZINC001335466737 1390687770 /nfs/dbraw/zinc/68/77/70/1390687770.db2.gz PUOFTSDEEGAZGN-INIZCTEOSA-N 2 0 325.456 3.405 20 0 EGADRP CCCN(C(=O)C[C@@H]([NH3+])C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001345464703 1390861113 /nfs/dbraw/zinc/86/11/13/1390861113.db2.gz BXXWTBCFBGRDJO-HXUWFJFHSA-N 2 0 343.515 3.017 20 0 EGADRP COc1cccc(N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC001345469998 1390861506 /nfs/dbraw/zinc/86/15/06/1390861506.db2.gz MSTAUNCILRKKFU-NHCUHLMSSA-N 2 0 337.467 3.398 20 0 EGADRP Cc1ccccc1NC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001349910302 1391384023 /nfs/dbraw/zinc/38/40/23/1391384023.db2.gz APSHASLNACQAAG-LJQANCHMSA-N 2 0 336.483 3.496 20 0 EGADRP [NH3+]C1(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCC1 ZINC001349926914 1391386447 /nfs/dbraw/zinc/38/64/47/1391386447.db2.gz GQFXKLZAISGPJP-UHFFFAOYSA-N 2 0 341.377 3.121 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[NH2+]C(C)(C)C ZINC001350349880 1391451525 /nfs/dbraw/zinc/45/15/25/1391451525.db2.gz ZLNQATXTBYWSJO-QGZVFWFLSA-N 2 0 345.531 3.455 20 0 EGADRP Cc1c(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)ccc2c[nH+]cn21 ZINC001351289338 1391621935 /nfs/dbraw/zinc/62/19/35/1391621935.db2.gz UZSBMAWUCGMGBR-GOSISDBHSA-N 2 0 348.450 3.166 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001488742635 1391713605 /nfs/dbraw/zinc/71/36/05/1391713605.db2.gz WLQWGHNOKRDRHK-UHOSZYNNSA-N 2 0 343.515 3.106 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1)CC(C)(C)C ZINC001479910338 1392478038 /nfs/dbraw/zinc/47/80/38/1392478038.db2.gz RXAXJZKZXNSARS-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001698859521 1406569254 /nfs/dbraw/zinc/56/92/54/1406569254.db2.gz CPSAEAZNYGCHQY-ZWKOTPCHSA-N 2 0 331.504 3.060 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001480320681 1392680936 /nfs/dbraw/zinc/68/09/36/1392680936.db2.gz YDJYXSRYBRDXDP-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001480320683 1392681234 /nfs/dbraw/zinc/68/12/34/1392681234.db2.gz YDJYXSRYBRDXDP-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)CC(C)(C)C ZINC001480324933 1392684942 /nfs/dbraw/zinc/68/49/42/1392684942.db2.gz JLEWSUHEODHJTR-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCC2)CC1 ZINC001480328480 1392687905 /nfs/dbraw/zinc/68/79/05/1392687905.db2.gz UKMATZBDUCLHON-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001480407141 1392744254 /nfs/dbraw/zinc/74/42/54/1392744254.db2.gz QIFDNXJWQBVDBR-UXBLZVDNSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)C2)cc1 ZINC001480706033 1392868576 /nfs/dbraw/zinc/86/85/76/1392868576.db2.gz YGGDHKUAVMDTRP-GLDSGCPRSA-N 2 0 349.906 3.131 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480734093 1392898598 /nfs/dbraw/zinc/89/85/98/1392898598.db2.gz YPLYFGAEIQBDNN-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480945946 1393040340 /nfs/dbraw/zinc/04/03/40/1393040340.db2.gz GOMKGGFXNIJXKF-WMZOPIPTSA-N 2 0 345.531 3.045 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561022 1394261056 /nfs/dbraw/zinc/26/10/56/1394261056.db2.gz MLTQIPDKBYHULR-MOPGFXCFSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481528563 1394382118 /nfs/dbraw/zinc/38/21/18/1394382118.db2.gz UNIPYOWNEMIZFE-PKOBYXMFSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)(C)CCC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481625255 1394423539 /nfs/dbraw/zinc/42/35/39/1394423539.db2.gz BCDUIRAVFDEMSP-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001491170380 1394457105 /nfs/dbraw/zinc/45/71/05/1394457105.db2.gz NOGXLKZCUUYYAX-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001482356449 1394919231 /nfs/dbraw/zinc/91/92/31/1394919231.db2.gz NSOMWAWGQADLEU-XLIONFOSSA-N 2 0 345.531 3.232 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1)CC1CC1 ZINC001482504270 1395057644 /nfs/dbraw/zinc/05/76/44/1395057644.db2.gz HJNABDVOJJXROP-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001483907975 1395139272 /nfs/dbraw/zinc/13/92/72/1395139272.db2.gz DXROXMOYNVAJGM-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001483907977 1395139301 /nfs/dbraw/zinc/13/93/01/1395139301.db2.gz DXROXMOYNVAJGM-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2(C)CC[NH+](CC3CCCCC3)CC2)C1 ZINC001484142388 1395278676 /nfs/dbraw/zinc/27/86/76/1395278676.db2.gz ZHTDMFONKWLZQP-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1cccc2ccccc21 ZINC001485346219 1395817394 /nfs/dbraw/zinc/81/73/94/1395817394.db2.gz RKPAZTJGEPRPST-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001486211958 1396183344 /nfs/dbraw/zinc/18/33/44/1396183344.db2.gz YZKGZPYRLFIPOG-RBUKOAKNSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)CCC1 ZINC001494271851 1396415383 /nfs/dbraw/zinc/41/53/83/1396415383.db2.gz ROULTRONKUBDDT-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494321767 1396431011 /nfs/dbraw/zinc/43/10/11/1396431011.db2.gz NXKFVMHHDKHNOS-VOFKWLDRSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001699010994 1406840704 /nfs/dbraw/zinc/84/07/04/1406840704.db2.gz JHOSDRIZXDELBF-QGZVFWFLSA-N 2 0 349.494 3.153 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497296745 1396745356 /nfs/dbraw/zinc/74/53/56/1396745356.db2.gz HACSZWFKRWAYPI-IRXDYDNUSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001689903669 1404197735 /nfs/dbraw/zinc/19/77/35/1404197735.db2.gz YNEGBUFTBQHODJ-BEFAXECRSA-N 2 0 342.487 3.272 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001689912103 1404205511 /nfs/dbraw/zinc/20/55/11/1404205511.db2.gz QDRMVMGGZWRUNT-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001690049233 1404281906 /nfs/dbraw/zinc/28/19/06/1404281906.db2.gz IMDKIFGLILWRIA-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)cc1C ZINC001690453007 1404579465 /nfs/dbraw/zinc/57/94/65/1404579465.db2.gz PSYUUDQUOOBRNF-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001690575133 1404637183 /nfs/dbraw/zinc/63/71/83/1404637183.db2.gz OIWVVBWCNWZSSR-GOSISDBHSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001725176229 1425692884 /nfs/dbraw/zinc/69/28/84/1425692884.db2.gz YDCCUSJRTURVDM-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001690815717 1404750507 /nfs/dbraw/zinc/75/05/07/1404750507.db2.gz WYYMAAUSZZFBIG-ROUUACIJSA-N 2 0 325.541 3.076 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001690942003 1404849234 /nfs/dbraw/zinc/84/92/34/1404849234.db2.gz PTJWJDXRYQIMBB-MOPGFXCFSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690970821 1404877561 /nfs/dbraw/zinc/87/75/61/1404877561.db2.gz LMLRXAPRNFXYRX-FUHWJXTLSA-N 2 0 349.494 3.057 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001691117051 1405058688 /nfs/dbraw/zinc/05/86/88/1405058688.db2.gz HIDASYQBKRZTFE-BGYRXZFFSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691503982 1405307826 /nfs/dbraw/zinc/30/78/26/1405307826.db2.gz MWJKHBHSXIDDLA-KZNAEPCWSA-N 2 0 343.515 3.025 20 0 EGADRP CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccc(C(C)C)cc1 ZINC001691766953 1405479549 /nfs/dbraw/zinc/47/95/49/1405479549.db2.gz IGAVCAOODBYONN-IBGZPJMESA-N 2 0 331.504 3.061 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691790269 1405499463 /nfs/dbraw/zinc/49/94/63/1405499463.db2.gz NMICQTXMTXSUQU-IYARVYRRSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001691793733 1405503387 /nfs/dbraw/zinc/50/33/87/1405503387.db2.gz ZXGQOYWXJWUVLS-IBGZPJMESA-N 2 0 345.531 3.356 20 0 EGADRP CC(C)C[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001692023091 1405741523 /nfs/dbraw/zinc/74/15/23/1405741523.db2.gz NNGVBUKTSDADIR-UHFFFAOYSA-N 2 0 345.531 3.188 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001698588224 1406207377 /nfs/dbraw/zinc/20/73/77/1406207377.db2.gz NZWOJONZTUGJPN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1)[NH+](CC)CC ZINC001732404285 1428568452 /nfs/dbraw/zinc/56/84/52/1428568452.db2.gz ZXCPXSLUEXDDRT-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CCCC1)[NH+](C)C ZINC001699795115 1413204080 /nfs/dbraw/zinc/20/40/80/1413204080.db2.gz CLDIFGCSLGAVKV-VQTJNVASSA-N 2 0 345.531 3.037 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001699862418 1413297711 /nfs/dbraw/zinc/29/77/11/1413297711.db2.gz VKFXIXOYHIODSC-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699957904 1413400411 /nfs/dbraw/zinc/40/04/11/1413400411.db2.gz VCZAIXZZLLQVOM-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+][C@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001700095223 1413510004 /nfs/dbraw/zinc/51/00/04/1413510004.db2.gz UWCCCLPRAIWDLQ-QGZVFWFLSA-N 2 0 345.531 3.485 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001700200365 1413644357 /nfs/dbraw/zinc/64/43/57/1413644357.db2.gz GSQRVCQARIWTNH-VQTJNVASSA-N 2 0 345.531 3.114 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)CC1 ZINC001700345490 1413832195 /nfs/dbraw/zinc/83/21/95/1413832195.db2.gz OLSWMQZDZFOAPT-ACBHZAAOSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001700528254 1414192715 /nfs/dbraw/zinc/19/27/15/1414192715.db2.gz CWUYFNXIWBMLMX-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001700555195 1414225105 /nfs/dbraw/zinc/22/51/05/1414225105.db2.gz PKRNGKVMNSTFGR-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001700556133 1414226485 /nfs/dbraw/zinc/22/64/85/1414226485.db2.gz XSDWQUUDUXYHSX-DNVCBOLYSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CC2CCCCCC2)CC1 ZINC001700698553 1414359664 /nfs/dbraw/zinc/35/96/64/1414359664.db2.gz ZSLGMLRNWPWNBV-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700761741 1414434776 /nfs/dbraw/zinc/43/47/76/1414434776.db2.gz RFEGPKCXEASCCQ-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(CC)cc2)C[C@@H]1C ZINC001700852349 1414500315 /nfs/dbraw/zinc/50/03/15/1414500315.db2.gz VQPJYCPUWVFUBZ-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]CC1CCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001700995569 1414643001 /nfs/dbraw/zinc/64/30/01/1414643001.db2.gz RNWJYNOFOUSKEC-LJQANCHMSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001732744873 1428942725 /nfs/dbraw/zinc/94/27/25/1428942725.db2.gz GRNGFNLAFGBVHX-DNVCBOLYSA-N 2 0 349.494 3.029 20 0 EGADRP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001713179220 1417753004 /nfs/dbraw/zinc/75/30/04/1417753004.db2.gz IOWDLNXHFHPMBR-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](CCCC(C)(C)C)C1)C1CCC1 ZINC001713216096 1417791450 /nfs/dbraw/zinc/79/14/50/1417791450.db2.gz YMJKQBPQDJBMGE-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001713602613 1418389716 /nfs/dbraw/zinc/38/97/16/1418389716.db2.gz SEFVDNBSJZXCMW-YOEHRIQHSA-N 2 0 339.911 3.035 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001713625527 1418398935 /nfs/dbraw/zinc/39/89/35/1418398935.db2.gz AFEAAKWCMRUNNL-AEFFLSMTSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001713759286 1418566473 /nfs/dbraw/zinc/56/64/73/1418566473.db2.gz JUFDOVROXSXXON-OALUTQOASA-N 2 0 345.531 3.178 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713804935 1418617760 /nfs/dbraw/zinc/61/77/60/1418617760.db2.gz UOIAXYPIEQDQAS-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713838379 1418635771 /nfs/dbraw/zinc/63/57/71/1418635771.db2.gz GAKBJICOWULAJP-VQTJNVASSA-N 2 0 343.515 3.204 20 0 EGADRP Cc1ccc(C[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCC2)cc1C ZINC001714140653 1418942844 /nfs/dbraw/zinc/94/28/44/1418942844.db2.gz QUQMTSBWLSMGMU-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001714330737 1419110065 /nfs/dbraw/zinc/11/00/65/1419110065.db2.gz BHQCRNLKDHXXEP-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1CC[NH+](C(C)C)CC1)[NH+]1CCCCC1 ZINC001714331718 1419111639 /nfs/dbraw/zinc/11/16/39/1419111639.db2.gz FUYLBETWCDHQPA-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001714334914 1419113417 /nfs/dbraw/zinc/11/34/17/1419113417.db2.gz XMBXJBJBEVDMCX-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C)c1ccc(F)cc1 ZINC001714348635 1419117529 /nfs/dbraw/zinc/11/75/29/1419117529.db2.gz BEFUYBWRHFSTGN-QYZOEREBSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001714493503 1419216966 /nfs/dbraw/zinc/21/69/66/1419216966.db2.gz VMBCUJBOFIBUKR-KZNAEPCWSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2C)CCCC1 ZINC001714509311 1419236466 /nfs/dbraw/zinc/23/64/66/1419236466.db2.gz HTJJODSQWJBNDF-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001714546553 1419272809 /nfs/dbraw/zinc/27/28/09/1419272809.db2.gz KSCOLQGTUPXAGI-FQEVSTJZSA-N 2 0 345.531 3.034 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001714569552 1419299219 /nfs/dbraw/zinc/29/92/19/1419299219.db2.gz NTPPAEGTQBSYGI-SFHVURJKSA-N 2 0 345.531 3.224 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C(=O)CCC[NH+](C)C ZINC001714743235 1419490429 /nfs/dbraw/zinc/49/04/29/1419490429.db2.gz LCXOXKQOEGNWSA-IRXDYDNUSA-N 2 0 345.531 3.015 20 0 EGADRP CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714904574 1419646814 /nfs/dbraw/zinc/64/68/14/1419646814.db2.gz GRTJWICYRXARRG-VQTJNVASSA-N 2 0 345.531 3.086 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001715047327 1419788153 /nfs/dbraw/zinc/78/81/53/1419788153.db2.gz PWTFODZTPZWBQH-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001715081947 1419818525 /nfs/dbraw/zinc/81/85/25/1419818525.db2.gz CSHUBQVEYWPIML-AZUAARDMSA-N 2 0 345.531 3.416 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cc(C)cc(C)c1 ZINC001715084935 1419823182 /nfs/dbraw/zinc/82/31/82/1419823182.db2.gz KAYXGOAVKJXJIF-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CCC(C)(C)CC2)CCCC1 ZINC001715087852 1419827799 /nfs/dbraw/zinc/82/77/99/1419827799.db2.gz CXTCOCDFFPHFJN-GOSISDBHSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001715189375 1419921161 /nfs/dbraw/zinc/92/11/61/1419921161.db2.gz FEWMDJVGBXARMN-MXVIHJGJSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715317199 1420025767 /nfs/dbraw/zinc/02/57/67/1420025767.db2.gz TWUCWHVBELSIEP-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001715384420 1420081135 /nfs/dbraw/zinc/08/11/35/1420081135.db2.gz IJIWQSPANDUCLF-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccc(C[NH+](C)CCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001715519608 1420205918 /nfs/dbraw/zinc/20/59/18/1420205918.db2.gz HQBYLOQPYCSOSB-HXUWFJFHSA-N 2 0 345.531 3.066 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001715530962 1420221192 /nfs/dbraw/zinc/22/11/92/1420221192.db2.gz OLYDBXSYCQZTSJ-SFHVURJKSA-N 2 0 349.494 3.009 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001715568539 1420257634 /nfs/dbraw/zinc/25/76/34/1420257634.db2.gz XZDBZVYIBCGJJT-VQTJNVASSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715959159 1420425552 /nfs/dbraw/zinc/42/55/52/1420425552.db2.gz UXWRGKHFJJZEGG-RTBURBONSA-N 2 0 339.568 3.323 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001715963343 1420429148 /nfs/dbraw/zinc/42/91/48/1420429148.db2.gz WKMJQVZNPHQMTG-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716065135 1420523782 /nfs/dbraw/zinc/52/37/82/1420523782.db2.gz JHVGUIXETYNKHC-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001716397524 1420633204 /nfs/dbraw/zinc/63/32/04/1420633204.db2.gz QXFGQOBQJMAMOO-OAHLLOKOSA-N 2 0 345.512 3.026 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CCc1cncn1C ZINC001716503768 1420733600 /nfs/dbraw/zinc/73/36/00/1420733600.db2.gz XAKZUELYCSUCFR-KRWDZBQOSA-N 2 0 348.535 3.150 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001716514580 1420744660 /nfs/dbraw/zinc/74/46/60/1420744660.db2.gz NMSRINCTWOMXNL-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CCCCCC1 ZINC001716712843 1420865581 /nfs/dbraw/zinc/86/55/81/1420865581.db2.gz ARIMUUZEUXGSSQ-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001716850975 1420981358 /nfs/dbraw/zinc/98/13/58/1420981358.db2.gz TUAHQADOAISUCJ-NRFANRHFSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001717097322 1421108611 /nfs/dbraw/zinc/10/86/11/1421108611.db2.gz NLBMHCPIDUXZDE-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001717106480 1421112455 /nfs/dbraw/zinc/11/24/55/1421112455.db2.gz AROUOZASQGCMPS-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001717311733 1421256249 /nfs/dbraw/zinc/25/62/49/1421256249.db2.gz GQLGCAURMUBERZ-IAGOWNOFSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@H](C)C1 ZINC001717335021 1421272067 /nfs/dbraw/zinc/27/20/67/1421272067.db2.gz CMSAVNKPALKHRF-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717337346 1421274828 /nfs/dbraw/zinc/27/48/28/1421274828.db2.gz WIFIAMDKIJSVPK-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H]2C)cs1 ZINC001717852715 1421664237 /nfs/dbraw/zinc/66/42/37/1421664237.db2.gz DTUTWBGCNCPGLM-MAUKXSAKSA-N 2 0 349.544 3.010 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724172519 1424706297 /nfs/dbraw/zinc/70/62/97/1424706297.db2.gz BPYBLDQPONKZJM-ICSRJNTNSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724839074 1425187205 /nfs/dbraw/zinc/18/72/05/1425187205.db2.gz QZAOFWZQWJYSMI-PKOBYXMFSA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CCCC3CCCC3)CC2)CC1 ZINC001724840467 1425189808 /nfs/dbraw/zinc/18/98/08/1425189808.db2.gz FQVUCPPSFDACGC-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N1CCC(CC)([NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001724891182 1425278180 /nfs/dbraw/zinc/27/81/80/1425278180.db2.gz XYXXWTGHOOWZAM-SFHVURJKSA-N 2 0 335.536 3.188 20 0 EGADRP CCc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001725003203 1425414749 /nfs/dbraw/zinc/41/47/49/1425414749.db2.gz OLOZLTQJONPWLJ-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC001725004136 1425416454 /nfs/dbraw/zinc/41/64/54/1425416454.db2.gz UOZQRODXLWYEGG-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725030924 1425450326 /nfs/dbraw/zinc/45/03/26/1425450326.db2.gz NXMSSBNPBYHDGJ-HKVCONOFSA-N 2 0 335.536 3.188 20 0 EGADRP Cc1cccc(C[NH2+]C2CCC(N(C)C(=O)CCC[NH+](C)C)CC2)c1 ZINC001725136593 1425611674 /nfs/dbraw/zinc/61/16/74/1425611674.db2.gz DXOKNELQPDRPHW-UHFFFAOYSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)C(C)(C)C)[NH+](C)C ZINC001725749866 1426428645 /nfs/dbraw/zinc/42/86/45/1426428645.db2.gz CXHSEQGMCXOOBC-OALUTQOASA-N 2 0 347.547 3.264 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001731354861 1427295110 /nfs/dbraw/zinc/29/51/10/1427295110.db2.gz CCEPKPSVCFBKQA-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCCC3)C2)CC1 ZINC001731717365 1427782911 /nfs/dbraw/zinc/78/29/11/1427782911.db2.gz XQYLJJFOGMKMSK-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)Cc1ccccc1 ZINC001731807672 1427982512 /nfs/dbraw/zinc/98/25/12/1427982512.db2.gz HDUFTXLHOAUULJ-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)CC[N@H+](C)C3CCCCC3)CCC2)C1 ZINC001733719981 1429941044 /nfs/dbraw/zinc/94/10/44/1429941044.db2.gz KDDVJFLSUUVMFI-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001733779440 1430036965 /nfs/dbraw/zinc/03/69/65/1430036965.db2.gz NHRAGFNCZSSPAU-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001734328822 1438053281 /nfs/dbraw/zinc/05/32/81/1438053281.db2.gz RDAADZSGACWWDS-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001734421936 1438089937 /nfs/dbraw/zinc/08/99/37/1438089937.db2.gz HKGXYFUFSLPTST-PKOBYXMFSA-N 2 0 345.531 3.231 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCCC1CCCC1 ZINC001751997496 1440131785 /nfs/dbraw/zinc/13/17/85/1440131785.db2.gz JNKDEZSBWIXNOE-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001752077162 1440138757 /nfs/dbraw/zinc/13/87/57/1440138757.db2.gz CPHUZPLXJYNBPI-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CCc1ccccc1C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001752126038 1440143183 /nfs/dbraw/zinc/14/31/83/1440143183.db2.gz UCSMTQWBTAYPHN-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@@H](C(=O)NCCC[N@H+](CC1CC(C)C1)C1CC1)[NH+]1CCCCCC1 ZINC001752279013 1440164344 /nfs/dbraw/zinc/16/43/44/1440164344.db2.gz NSUNZUDNIDSSME-XBMUEBEBSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001752545507 1440195149 /nfs/dbraw/zinc/19/51/49/1440195149.db2.gz WJFHXIVNKKDANU-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752639523 1440197571 /nfs/dbraw/zinc/19/75/71/1440197571.db2.gz NYCVUWIHBMFBEC-CADBVGFASA-N 2 0 337.552 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001752708145 1440203057 /nfs/dbraw/zinc/20/30/57/1440203057.db2.gz RMDVLKQAPIBKIR-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001752773053 1440206287 /nfs/dbraw/zinc/20/62/87/1440206287.db2.gz UQXIDHHQOCKWLU-VNTMZGSJSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752801935 1440215168 /nfs/dbraw/zinc/21/51/68/1440215168.db2.gz WAYSAUKMHOEJST-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001752820045 1440219900 /nfs/dbraw/zinc/21/99/00/1440219900.db2.gz ICGXKYFINVLTKC-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001752826805 1440223896 /nfs/dbraw/zinc/22/38/96/1440223896.db2.gz CXVHWTBTSBWBGJ-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](Cc1ccccc1)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001752997814 1440262945 /nfs/dbraw/zinc/26/29/45/1440262945.db2.gz XYTLRCQJRSYFDV-IBGZPJMESA-N 2 0 345.531 3.087 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001753038694 1440275421 /nfs/dbraw/zinc/27/54/21/1440275421.db2.gz WMOLJFCPVXADGU-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753061328 1440283507 /nfs/dbraw/zinc/28/35/07/1440283507.db2.gz GMAVUIDMULZGFH-VDZJLULYSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001753091135 1440299262 /nfs/dbraw/zinc/29/92/62/1440299262.db2.gz JQTRBPVEJBZVOK-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)c1ccccc1 ZINC001753145261 1440324004 /nfs/dbraw/zinc/32/40/04/1440324004.db2.gz BJQBDXGRSKUNTB-SFHVURJKSA-N 2 0 343.515 3.204 20 0 EGADRP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001753146022 1440324518 /nfs/dbraw/zinc/32/45/18/1440324518.db2.gz FAXIFIBAZVHVTA-QRVBRYPASA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001753262621 1440344304 /nfs/dbraw/zinc/34/43/04/1440344304.db2.gz FOEYXVIVHZGMQK-SFHVURJKSA-N 2 0 331.504 3.062 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1)[NH+](CC)CC ZINC001753278216 1440346728 /nfs/dbraw/zinc/34/67/28/1440346728.db2.gz OUGHXHKBDLCCAB-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001753313245 1440357869 /nfs/dbraw/zinc/35/78/69/1440357869.db2.gz WGEOAGKOZCCNML-WOJBJXKFSA-N 2 0 345.531 3.352 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@@H](CCNC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001753328678 1440368022 /nfs/dbraw/zinc/36/80/22/1440368022.db2.gz YHUHVTOHEHDADK-JLAWEPINSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001753334159 1440371264 /nfs/dbraw/zinc/37/12/64/1440371264.db2.gz CTWBUAAGRDGWHO-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753335132 1440371839 /nfs/dbraw/zinc/37/18/39/1440371839.db2.gz JLZRGQCQLZXGGV-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001753349972 1440377415 /nfs/dbraw/zinc/37/74/15/1440377415.db2.gz ZTULUPNJVKZICM-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001753360359 1440382271 /nfs/dbraw/zinc/38/22/71/1440382271.db2.gz SNQKELPWQQBTPB-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP C[N@H+](CCC1CCCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001753367407 1440386151 /nfs/dbraw/zinc/38/61/51/1440386151.db2.gz IPABUKBNIRCAME-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001753438440 1440400705 /nfs/dbraw/zinc/40/07/05/1440400705.db2.gz ZJCYCHJOLMQEPX-XSAZBNQGSA-N 2 0 335.536 3.138 20 0 EGADRP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C)cc1C ZINC001753477956 1440415692 /nfs/dbraw/zinc/41/56/92/1440415692.db2.gz RGTMSVRSDAKIPV-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001753494374 1440420910 /nfs/dbraw/zinc/42/09/10/1440420910.db2.gz CVGHQVZRUHKPES-IBGZPJMESA-N 2 0 345.531 3.064 20 0 EGADRP CC[C@@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC001753511803 1440426231 /nfs/dbraw/zinc/42/62/31/1440426231.db2.gz MSBNCZUEMPMPQT-RBUKOAKNSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753562144 1440437064 /nfs/dbraw/zinc/43/70/64/1440437064.db2.gz JQXXVBWVBPLLDW-SFHVURJKSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001753586527 1440441450 /nfs/dbraw/zinc/44/14/50/1440441450.db2.gz RPFGXEJPHUCZPN-MUGJNUQGSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001753598522 1440445569 /nfs/dbraw/zinc/44/55/69/1440445569.db2.gz KNJXMAIQEBZVHM-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCCC2)C1 ZINC001753663663 1440459452 /nfs/dbraw/zinc/45/94/52/1440459452.db2.gz HJXHZJMIWLBHBJ-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001753671174 1440462216 /nfs/dbraw/zinc/46/22/16/1440462216.db2.gz MISMNHGDTKABOW-UHFFFAOYSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001753702135 1440468771 /nfs/dbraw/zinc/46/87/71/1440468771.db2.gz UUJIMLZKROUDGO-QUCCMNQESA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001753740725 1440479138 /nfs/dbraw/zinc/47/91/38/1440479138.db2.gz ZYYASLMLCNORIF-RTBURBONSA-N 2 0 337.552 3.336 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001753755678 1440483033 /nfs/dbraw/zinc/48/30/33/1440483033.db2.gz VBQDGJJLLWNAFU-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001753764116 1440484475 /nfs/dbraw/zinc/48/44/75/1440484475.db2.gz ZZUXIDQJKRYCAB-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001753788290 1440488520 /nfs/dbraw/zinc/48/85/20/1440488520.db2.gz ONBDSTUJOQQIBO-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCCC2CCC2)CC1 ZINC001753794920 1440489536 /nfs/dbraw/zinc/48/95/36/1440489536.db2.gz DMMDPOALJUKAQI-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001753798038 1440490231 /nfs/dbraw/zinc/49/02/31/1440490231.db2.gz QPECUAKCAWNNAF-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCCC1CCC1 ZINC001753811948 1440492930 /nfs/dbraw/zinc/49/29/30/1440492930.db2.gz BWHPMBRRIKSENG-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001753814448 1440493411 /nfs/dbraw/zinc/49/34/11/1440493411.db2.gz RBPHPIUGUXZVGB-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCC(C)(C)C ZINC001753840225 1440502353 /nfs/dbraw/zinc/50/23/53/1440502353.db2.gz YVQDCHCOKIJPHF-GOSISDBHSA-N 2 0 339.568 3.275 20 0 EGADRP CN(CC[N@H+](C)CCC1=CCCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001753877551 1440519944 /nfs/dbraw/zinc/51/99/44/1440519944.db2.gz VYYQTQVKMNXQNI-WOJBJXKFSA-N 2 0 349.563 3.388 20 0 EGADRP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754006772 1440530859 /nfs/dbraw/zinc/53/08/59/1440530859.db2.gz BGKVEKOWAAWSOA-UYAOXDASSA-N 2 0 345.531 3.242 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754156275 1440545615 /nfs/dbraw/zinc/54/56/15/1440545615.db2.gz JOVNDVDNDIANQB-JTHGQSKGSA-N 2 0 343.515 3.192 20 0 EGADRP C[C@@H](C(=O)NC/C=C/C[NH2+]CCC1CCCC1)[NH+]1CCCCCC1 ZINC001754177860 1440547813 /nfs/dbraw/zinc/54/78/13/1440547813.db2.gz DSLLURCWTFWOLC-DKFQHHCZSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CCC2CCCCC2)C1 ZINC001754195700 1440549492 /nfs/dbraw/zinc/54/94/92/1440549492.db2.gz XBTPMVMUJCWBPB-KJYWSYJISA-N 2 0 349.563 3.339 20 0 EGADRP CC[C@H]([NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001754205709 1440550541 /nfs/dbraw/zinc/55/05/41/1440550541.db2.gz AJXDJXASLYNWNE-WHLIDYPQSA-N 2 0 349.906 3.149 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001754213368 1440551424 /nfs/dbraw/zinc/55/14/24/1440551424.db2.gz LEPZQKXRTVFXLV-FQQSSWHASA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001754313472 1440574308 /nfs/dbraw/zinc/57/43/08/1440574308.db2.gz WVWXZTRWPKXICV-DNVCBOLYSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001754416248 1440596781 /nfs/dbraw/zinc/59/67/81/1440596781.db2.gz LVHUBJAMHJKPCL-UHFFFAOYSA-N 2 0 345.531 3.118 20 0 EGADRP O=C(N[C@@H](C[NH2+]CCC1CC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754449255 1440600581 /nfs/dbraw/zinc/60/05/81/1440600581.db2.gz NUFSDOQMGCPREI-PMACEKPBSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001754455098 1440602084 /nfs/dbraw/zinc/60/20/84/1440602084.db2.gz MFTNXFXCIGWDCI-HXUWFJFHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@H](CC)C1 ZINC001754466792 1440604478 /nfs/dbraw/zinc/60/44/78/1440604478.db2.gz JCAHWGHSMRJHPU-UXHICEINSA-N 2 0 345.531 3.054 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001754502530 1440614986 /nfs/dbraw/zinc/61/49/86/1440614986.db2.gz KPAOSKYPQPEMIZ-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)c(C)c1 ZINC001754525356 1440620859 /nfs/dbraw/zinc/62/08/59/1440620859.db2.gz NGNKKVIFDHVAJW-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001754543146 1440626567 /nfs/dbraw/zinc/62/65/67/1440626567.db2.gz SLDAVEPFWWNCKG-CEXWTWQISA-N 2 0 335.536 3.116 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001754553860 1440630730 /nfs/dbraw/zinc/63/07/30/1440630730.db2.gz OUSIDBKWQCVTLR-GBESFXJTSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2)CC(C)(C)C ZINC001754561375 1440633912 /nfs/dbraw/zinc/63/39/12/1440633912.db2.gz RMYSZRMSAGVKAC-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001754601930 1440642636 /nfs/dbraw/zinc/64/26/36/1440642636.db2.gz WQJDCTFVRBDAKQ-IBMJZYDUSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001754630340 1440647536 /nfs/dbraw/zinc/64/75/36/1440647536.db2.gz XPXLJMFCECUPSX-LJQANCHMSA-N 2 0 345.531 3.449 20 0 EGADRP CC/C=C\CC[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001754630288 1440647584 /nfs/dbraw/zinc/64/75/84/1440647584.db2.gz WQFLDFZMCMMXSN-PLNGDYQASA-N 2 0 335.536 3.189 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001754650038 1440651633 /nfs/dbraw/zinc/65/16/33/1440651633.db2.gz MTSGSZCPTYYHSJ-LZQZEXGQSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001754661254 1440654828 /nfs/dbraw/zinc/65/48/28/1440654828.db2.gz ANXZZOLEPLGLHF-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754673527 1440658818 /nfs/dbraw/zinc/65/88/18/1440658818.db2.gz BUSVQWXAMWWOLI-QYIKYWQXSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001754680114 1440661680 /nfs/dbraw/zinc/66/16/80/1440661680.db2.gz HDNBGUCQVWSFSR-VQIMIIECSA-N 2 0 349.544 3.093 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001754697630 1440667262 /nfs/dbraw/zinc/66/72/62/1440667262.db2.gz RAFOGBVUIXVFEO-TZIWHRDSSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001754701316 1440668005 /nfs/dbraw/zinc/66/80/05/1440668005.db2.gz XTOOAFPPIGSBPD-HXUWFJFHSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001754720588 1440673082 /nfs/dbraw/zinc/67/30/82/1440673082.db2.gz QYOVIYWVFVRZOS-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754727475 1440677159 /nfs/dbraw/zinc/67/71/59/1440677159.db2.gz MLBIJFOIVJIYNF-RXVVDRJESA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001754727764 1440677283 /nfs/dbraw/zinc/67/72/83/1440677283.db2.gz MRJWHIQIFONHQG-UYAOXDASSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@]2(C)CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001754730932 1440679065 /nfs/dbraw/zinc/67/90/65/1440679065.db2.gz ZQEPAHCWOXBVPK-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754807126 1440691418 /nfs/dbraw/zinc/69/14/18/1440691418.db2.gz LWPSOATYGUEHIH-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001754828223 1440693884 /nfs/dbraw/zinc/69/38/84/1440693884.db2.gz GMRCFJMOAPMDNL-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001754838650 1440697327 /nfs/dbraw/zinc/69/73/27/1440697327.db2.gz MCLXYXFVXLSFBK-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC1)C1CCCCC1 ZINC001754868758 1440704019 /nfs/dbraw/zinc/70/40/19/1440704019.db2.gz PUDAVQIXUXCEHB-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754914775 1440708434 /nfs/dbraw/zinc/70/84/34/1440708434.db2.gz MICNAKMUDRTDLQ-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001754948546 1440714274 /nfs/dbraw/zinc/71/42/74/1440714274.db2.gz KGSRKUUOHBISPH-KRWDZBQOSA-N 2 0 343.515 3.261 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCC1 ZINC001754988359 1440723498 /nfs/dbraw/zinc/72/34/98/1440723498.db2.gz BAUKNEGURBPOPC-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1 ZINC001755026680 1440729213 /nfs/dbraw/zinc/72/92/13/1440729213.db2.gz UYSSGUJSPYRBGH-KRWDZBQOSA-N 2 0 335.536 3.020 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001755033761 1440733120 /nfs/dbraw/zinc/73/31/20/1440733120.db2.gz DQDMTURMSUNNBK-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001755041692 1440737731 /nfs/dbraw/zinc/73/77/31/1440737731.db2.gz CNHXITWRGHJOKQ-INIZCTEOSA-N 2 0 349.494 3.009 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001755043322 1440738961 /nfs/dbraw/zinc/73/89/61/1440738961.db2.gz RWZGIUNIKPIHOK-DLBZAZTESA-N 2 0 349.494 3.009 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CCCC(C)(C)C ZINC001755047069 1440741878 /nfs/dbraw/zinc/74/18/78/1440741878.db2.gz DFNMLFTYBPRFGX-ROUUACIJSA-N 2 0 339.568 3.466 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCC1 ZINC001755162446 1440765341 /nfs/dbraw/zinc/76/53/41/1440765341.db2.gz VFNHGHHIFGMZNB-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccsc2)ccc2c[nH+]cn21 ZINC001755241658 1440789497 /nfs/dbraw/zinc/78/94/97/1440789497.db2.gz FXRYFZCUAAJFFA-QWHCGFSZSA-N 2 0 342.468 3.001 20 0 EGADRP CN(CC(C)(C)C[NH2+]CCC1CCCCC1)C(=O)C[NH+]1CCCC1 ZINC001755287327 1440802498 /nfs/dbraw/zinc/80/24/98/1440802498.db2.gz WHCABCCXGPXGHQ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001755313216 1440814285 /nfs/dbraw/zinc/81/42/85/1440814285.db2.gz KNIJQJJEYZLLSI-IAGOWNOFSA-N 2 0 347.547 3.433 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001755312927 1440814374 /nfs/dbraw/zinc/81/43/74/1440814374.db2.gz JUXNLCTZTMRBTE-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(F)cc1 ZINC001755319876 1440817989 /nfs/dbraw/zinc/81/79/89/1440817989.db2.gz LCPZYHBLACSUNF-VQIMIIECSA-N 2 0 349.494 3.025 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC2=CCCCC2)CC1 ZINC001755321846 1440818907 /nfs/dbraw/zinc/81/89/07/1440818907.db2.gz VFSJGNHLKKNFLA-SFHVURJKSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001755322543 1440819338 /nfs/dbraw/zinc/81/93/38/1440819338.db2.gz KNZBBFWAURDGTP-XLIONFOSSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001755322542 1440819481 /nfs/dbraw/zinc/81/94/81/1440819481.db2.gz KNZBBFWAURDGTP-PXNSSMCTSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)[C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001755339443 1440824660 /nfs/dbraw/zinc/82/46/60/1440824660.db2.gz JQPLRWXCMNVUCL-VQTJNVASSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755358121 1440830522 /nfs/dbraw/zinc/83/05/22/1440830522.db2.gz LRJLIZZLNWWRAT-BHIYHBOVSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1)C1CCC1 ZINC001755364560 1440833630 /nfs/dbraw/zinc/83/36/30/1440833630.db2.gz WOLOTRHQLQIPNM-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001755378942 1440838830 /nfs/dbraw/zinc/83/88/30/1440838830.db2.gz RIGGUCUIGQEBJH-HNNXBMFYSA-N 2 0 342.487 3.273 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001755412558 1440847120 /nfs/dbraw/zinc/84/71/20/1440847120.db2.gz VPPUXBABCCLTLQ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001755518004 1440864549 /nfs/dbraw/zinc/86/45/49/1440864549.db2.gz ZQVXOLGEYUJDAN-IEBWSBKVSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H](CCC[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001755520109 1440864860 /nfs/dbraw/zinc/86/48/60/1440864860.db2.gz OWJPKAVYHYTPQC-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP C[N@H+](CC1=CCCCC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001755536471 1440869633 /nfs/dbraw/zinc/86/96/33/1440869633.db2.gz VOXYDKWDDKLXND-UHFFFAOYSA-N 2 0 347.547 3.286 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755618164 1440889691 /nfs/dbraw/zinc/88/96/91/1440889691.db2.gz IEPQQAOSOVHIQI-OAHLLOKOSA-N 2 0 347.528 3.178 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001755667512 1440893750 /nfs/dbraw/zinc/89/37/50/1440893750.db2.gz VVGCZPJLNIDVLD-XLIONFOSSA-N 2 0 345.531 3.229 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001755764568 1440915772 /nfs/dbraw/zinc/91/57/72/1440915772.db2.gz VJKFSCXLQKLFQT-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755765113 1440915972 /nfs/dbraw/zinc/91/59/72/1440915972.db2.gz IUZAUMNPRQTBGH-QAPCUYQASA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001755809511 1440919118 /nfs/dbraw/zinc/91/91/18/1440919118.db2.gz SCXKSNZTQSOOJP-QUCCMNQESA-N 2 0 345.531 3.319 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755826302 1440927303 /nfs/dbraw/zinc/92/73/03/1440927303.db2.gz ODTQBNGZXRZQBS-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001755829477 1440928288 /nfs/dbraw/zinc/92/82/88/1440928288.db2.gz CKJOSAZCQRALGC-KRWDZBQOSA-N 2 0 339.568 3.418 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCc1ccccc1Cl ZINC000368181995 168321887 /nfs/dbraw/zinc/32/18/87/168321887.db2.gz SUOLTVJTXTXRBA-BHIYHBOVSA-N 2 0 336.907 3.456 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000124512188 282098330 /nfs/dbraw/zinc/09/83/30/282098330.db2.gz AKDAAPCVRBBREL-LJQANCHMSA-N 2 0 335.923 3.191 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121292003 282110145 /nfs/dbraw/zinc/11/01/45/282110145.db2.gz RNTQPDQFBNISCT-AQNXPRMDSA-N 2 0 344.499 3.064 20 0 EGADRP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000178965130 282248197 /nfs/dbraw/zinc/24/81/97/282248197.db2.gz AAYOZLREMLWUFP-UHFFFAOYSA-N 2 0 326.488 3.229 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cnc2ccsc2c1 ZINC000370634351 168521325 /nfs/dbraw/zinc/52/13/25/168521325.db2.gz LCMROXLNRCHPKL-ZBFHGGJFSA-N 2 0 344.528 3.115 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CC2(C[NH3+])CCCCC2)[NH+](C)C)cc1 ZINC000184227330 235341297 /nfs/dbraw/zinc/34/12/97/235341297.db2.gz SDQHFTODRASTMN-SFHVURJKSA-N 2 0 331.504 3.013 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000130339833 223145256 /nfs/dbraw/zinc/14/52/56/223145256.db2.gz POLBGMAVDDLLML-QRWLVFNGSA-N 2 0 346.446 3.150 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000072803547 216308291 /nfs/dbraw/zinc/30/82/91/216308291.db2.gz ZJWSZZFRMLJGOB-HNNXBMFYSA-N 2 0 337.895 3.332 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000192840093 239909375 /nfs/dbraw/zinc/90/93/75/239909375.db2.gz QZYPJHJRHOSFGU-FCHUYYIVSA-N 2 0 343.559 3.404 20 0 EGADRP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132385539 223326144 /nfs/dbraw/zinc/32/61/44/223326144.db2.gz GLZHFYDVBZMRAW-CTNGQTDRSA-N 2 0 331.548 3.178 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000193867814 240341293 /nfs/dbraw/zinc/34/12/93/240341293.db2.gz ZMRAMAQBTVIWEE-WSCSCYJOSA-N 2 0 342.483 3.113 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Br)cc3F)C[C@@H]21 ZINC000230045909 242224874 /nfs/dbraw/zinc/22/48/74/242224874.db2.gz OUIGODKWVHCVCO-VZJVUDMVSA-N 2 0 327.241 3.147 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000361502516 296122626 /nfs/dbraw/zinc/12/26/26/296122626.db2.gz XQBTWZSTDXNJFC-AZUAARDMSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000247234071 243397705 /nfs/dbraw/zinc/39/77/05/243397705.db2.gz WNIRGFGGNGLDOO-SLFFLAALSA-N 2 0 329.532 3.281 20 0 EGADRP C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000183225947 296157796 /nfs/dbraw/zinc/15/77/96/296157796.db2.gz URLSOGZTTCPJAD-NMLACTOBSA-N 2 0 344.499 3.235 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000262608983 245064410 /nfs/dbraw/zinc/06/44/10/245064410.db2.gz BKPBGFBVMOOKPK-GGPKGHCWSA-N 2 0 343.515 3.108 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000262711593 245137071 /nfs/dbraw/zinc/13/70/71/245137071.db2.gz QPJIMTIQYFMMMT-OXQOHEQNSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000049554111 214019211 /nfs/dbraw/zinc/01/92/11/214019211.db2.gz QEAUODWVXYJJKM-VXGBXAGGSA-N 2 0 346.256 3.282 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CC[NH+](C)CC3)cc2)C1 ZINC000081264098 217375960 /nfs/dbraw/zinc/37/59/60/217375960.db2.gz GHQHALFBOKPTDX-INIZCTEOSA-N 2 0 329.488 3.199 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000264013179 245973356 /nfs/dbraw/zinc/97/33/56/245973356.db2.gz GQEPUIPSYMXUBV-PKOBYXMFSA-N 2 0 333.520 3.306 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+]1C ZINC000378571044 169139781 /nfs/dbraw/zinc/13/97/81/169139781.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 2 0 341.543 3.359 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Oc4cnccn4)cc3)CC[C@@H]21 ZINC000092043605 218109250 /nfs/dbraw/zinc/10/92/50/218109250.db2.gz HBRKIHWMMSKADB-HKUYNNGSSA-N 2 0 338.455 3.185 20 0 EGADRP COCCCOc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000092381375 218138286 /nfs/dbraw/zinc/13/82/86/218138286.db2.gz UJBVLJGZVQKAJP-UHFFFAOYSA-N 2 0 334.504 3.266 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093006760 218184896 /nfs/dbraw/zinc/18/48/96/218184896.db2.gz QDFNCTDVNQHGPQ-UHFFFAOYSA-N 2 0 349.482 3.073 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000267401120 251022859 /nfs/dbraw/zinc/02/28/59/251022859.db2.gz ZPVDKTAPNYWCLZ-MAUKXSAKSA-N 2 0 349.544 3.122 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000268836346 252284608 /nfs/dbraw/zinc/28/46/08/252284608.db2.gz BNALISFYXXGUNB-BVYCBKJFSA-N 2 0 338.495 3.090 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000268859447 252308705 /nfs/dbraw/zinc/30/87/05/252308705.db2.gz VDIWPLZJXIFXHI-KRWDZBQOSA-N 2 0 333.520 3.263 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000119533660 221341302 /nfs/dbraw/zinc/34/13/02/221341302.db2.gz QAIVGVPUWSECHO-QGZVFWFLSA-N 2 0 345.531 3.216 20 0 EGADRP COc1ccc2cc([C@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)ccc2c1 ZINC000155118231 533338025 /nfs/dbraw/zinc/33/80/25/533338025.db2.gz XZWLNXJDURFZEO-SJORKVTESA-N 2 0 341.499 3.135 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000237524736 141006632 /nfs/dbraw/zinc/00/66/32/141006632.db2.gz YYNJNXMKDSMDSB-UWJYYQICSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)N1CCC[C@@H](C)C1 ZINC000246907120 141043623 /nfs/dbraw/zinc/04/36/23/141043623.db2.gz GDBNUUKTIYPFCG-ANTGDGSKSA-N 2 0 344.547 3.002 20 0 EGADRP C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338045922 141080572 /nfs/dbraw/zinc/08/05/72/141080572.db2.gz SNDBCQAIDBKPIP-RZFLPCETSA-N 2 0 337.552 3.120 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000341192956 141135589 /nfs/dbraw/zinc/13/55/89/141135589.db2.gz SDSWOWRAGHACBI-UHFFFAOYSA-N 2 0 341.858 3.081 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cscc3Br)CC[C@@H]21 ZINC000347912159 141215277 /nfs/dbraw/zinc/21/52/77/141215277.db2.gz MDQZQYFLUJJLJF-RISCZKNCSA-N 2 0 329.307 3.427 20 0 EGADRP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000348056378 141236518 /nfs/dbraw/zinc/23/65/18/141236518.db2.gz RDWQQRCIOLGTGA-GHTZIAJQSA-N 2 0 326.484 3.017 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000356856622 141355030 /nfs/dbraw/zinc/35/50/30/141355030.db2.gz WIKHGXDFZDAFEZ-AWEZNQCLSA-N 2 0 329.488 3.299 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237364065 142598454 /nfs/dbraw/zinc/59/84/54/142598454.db2.gz WBPAEWKQYYIKQJ-PKOBYXMFSA-N 2 0 343.515 3.289 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000178651125 144073750 /nfs/dbraw/zinc/07/37/50/144073750.db2.gz WDUVHKPZZAAKPS-HUUCEWRRSA-N 2 0 347.528 3.082 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2([NH3+])CCCC2)c1 ZINC000178850056 144076188 /nfs/dbraw/zinc/07/61/88/144076188.db2.gz VNPYYPWFUJEBOI-UHFFFAOYSA-N 2 0 331.504 3.196 20 0 EGADRP Cc1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488464 144268633 /nfs/dbraw/zinc/26/86/33/144268633.db2.gz FRRJBBFNNXAKKY-IMJJTQAJSA-N 2 0 331.847 3.473 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C)c1 ZINC000363886530 144374148 /nfs/dbraw/zinc/37/41/48/144374148.db2.gz IVAJFHWNMBJWIJ-UHFFFAOYSA-N 2 0 329.532 3.153 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000166034248 286198587 /nfs/dbraw/zinc/19/85/87/286198587.db2.gz UIYUKPMVHOYPRO-PKOBYXMFSA-N 2 0 334.504 3.464 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC(F)F ZINC000261732421 286304556 /nfs/dbraw/zinc/30/45/56/286304556.db2.gz RWXDGWVZIGEKOF-HNNXBMFYSA-N 2 0 340.414 3.261 20 0 EGADRP Cc1ccnc(N2CCN(Cc3ccc(OCC(F)F)cc3)CC2)c1 ZINC000120892343 152308681 /nfs/dbraw/zinc/30/86/81/152308681.db2.gz GLIQETPXNHCUIR-UHFFFAOYSA-N 2 0 347.409 3.356 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC000341560515 155356268 /nfs/dbraw/zinc/35/62/68/155356268.db2.gz GXGHJCUREUUZCB-UHFFFAOYSA-N 2 0 335.492 3.135 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCO2 ZINC000336875501 154225885 /nfs/dbraw/zinc/22/58/85/154225885.db2.gz HWHKJWSFHLAKFK-AWEZNQCLSA-N 2 0 325.412 3.130 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337379945 154320677 /nfs/dbraw/zinc/32/06/77/154320677.db2.gz CYJDAUCFXGRERH-HXUWFJFHSA-N 2 0 327.516 3.246 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000338164697 154611637 /nfs/dbraw/zinc/61/16/37/154611637.db2.gz CWHMTIJMJDNKRL-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP CC[N@@H+](Cc1ccnc(OC)c1)CC1CCN(c2ccccn2)CC1 ZINC000339868019 155011914 /nfs/dbraw/zinc/01/19/14/155011914.db2.gz SHUZSOAQTPDRRP-UHFFFAOYSA-N 2 0 340.471 3.224 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346816665 156148614 /nfs/dbraw/zinc/14/86/14/156148614.db2.gz FAQWFBWLOHARCS-BEVDRBHNSA-N 2 0 342.462 3.187 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccsc1 ZINC000346829828 156154783 /nfs/dbraw/zinc/15/47/83/156154783.db2.gz YCQIYQJCDAMHGF-GDBMZVCRSA-N 2 0 339.549 3.414 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OCC(C)C ZINC000346859404 156167210 /nfs/dbraw/zinc/16/72/10/156167210.db2.gz YKZRFEPANFTNBQ-KSZLIROESA-N 2 0 332.488 3.289 20 0 EGADRP Clc1ccc(-n2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000347002316 156241401 /nfs/dbraw/zinc/24/14/01/156241401.db2.gz IYLSXTKTOGGPQL-LJQANCHMSA-N 2 0 344.890 3.490 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2ncccc2c1 ZINC000349037072 156327583 /nfs/dbraw/zinc/32/75/83/156327583.db2.gz QYKMQQYQMNPXPO-HXUWFJFHSA-N 2 0 340.515 3.083 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)sc1Br ZINC000352738554 156454393 /nfs/dbraw/zinc/45/43/93/156454393.db2.gz UUADJEOARZUZCC-LLVKDONJSA-N 2 0 335.311 3.048 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372445785 157333133 /nfs/dbraw/zinc/33/31/33/157333133.db2.gz LESPNWSUGDWDAZ-UYAOXDASSA-N 2 0 327.472 3.001 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285484 161929807 /nfs/dbraw/zinc/92/98/07/161929807.db2.gz RTSBEMNKTXYEQU-YLJYHZDGSA-N 2 0 333.520 3.008 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093397841 162008894 /nfs/dbraw/zinc/00/88/94/162008894.db2.gz BNXKQJFMYOUFGQ-PKOBYXMFSA-N 2 0 333.520 3.070 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1)C1CC1 ZINC000114376866 162229552 /nfs/dbraw/zinc/22/95/52/162229552.db2.gz PYEYWZMIXSHGQZ-HXUWFJFHSA-N 2 0 345.531 3.377 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248416699 163002684 /nfs/dbraw/zinc/00/26/84/163002684.db2.gz PYJITEAZPIEGKJ-ALGQRKQJSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@@H](CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000248483927 163009327 /nfs/dbraw/zinc/00/93/27/163009327.db2.gz JSERZDPCCJMWMB-SVFBPWRDSA-N 2 0 344.547 3.146 20 0 EGADRP CCc1nc2cc(CNc3ncnc4[nH]ccc43)ccc2n1C1CC1 ZINC000338485988 163243281 /nfs/dbraw/zinc/24/32/81/163243281.db2.gz BHHHXHJKDBCDCO-UHFFFAOYSA-N 2 0 332.411 3.239 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000338575485 163278888 /nfs/dbraw/zinc/27/88/88/163278888.db2.gz BTEXLSILVJOAFX-UHFFFAOYSA-N 2 0 345.531 3.473 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338779080 163346633 /nfs/dbraw/zinc/34/66/33/163346633.db2.gz NCSKQKILKMQVMW-HXUWFJFHSA-N 2 0 328.500 3.312 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(SC)cc1 ZINC000344161398 164116518 /nfs/dbraw/zinc/11/65/18/164116518.db2.gz XXRWYJKQTVGYPP-UHFFFAOYSA-N 2 0 335.561 3.258 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H](C)CC2CCOCC2)CC1 ZINC000349972379 164984058 /nfs/dbraw/zinc/98/40/58/164984058.db2.gz JXWOIKHBCWRZGE-GOSISDBHSA-N 2 0 340.552 3.262 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350746083 165068423 /nfs/dbraw/zinc/06/84/23/165068423.db2.gz HVCNTWHMABSXJP-KRWDZBQOSA-N 2 0 347.478 3.126 20 0 EGADRP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C[NH+](C)C)CC3)o2)cc1 ZINC000350953073 165086099 /nfs/dbraw/zinc/08/60/99/165086099.db2.gz VGZNJTJRALCFAG-HNNXBMFYSA-N 2 0 328.460 3.380 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350950249 165086175 /nfs/dbraw/zinc/08/61/75/165086175.db2.gz MEYULCWFLGVVLG-CQSZACIVSA-N 2 0 337.895 3.249 20 0 EGADRP COCCC[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2COC)CC1 ZINC000352332999 165349322 /nfs/dbraw/zinc/34/93/22/165349322.db2.gz UUZCPZOCPMIBPU-OBGWFSINSA-N 2 0 346.515 3.327 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353436363 165771703 /nfs/dbraw/zinc/77/17/03/165771703.db2.gz AXNYEMFMGUPCLH-VQTJNVASSA-N 2 0 343.515 3.067 20 0 EGADRP CN(C)[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1cccc(Cl)c1 ZINC000355347276 166169954 /nfs/dbraw/zinc/16/99/54/166169954.db2.gz MHQOWMXJTJFIKA-QGZVFWFLSA-N 2 0 349.906 3.030 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355378029 166179837 /nfs/dbraw/zinc/17/98/37/166179837.db2.gz YVARYYDZLKKICR-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CNC3CC([NH+]4CCCCC4)C3)sc2C1 ZINC000355577036 166248696 /nfs/dbraw/zinc/24/86/96/166248696.db2.gz ASHBAOYSZGLPLS-UHFFFAOYSA-N 2 0 348.560 3.016 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000355747144 166295929 /nfs/dbraw/zinc/29/59/29/166295929.db2.gz HSMBEGAXDMSZEE-FQEVSTJZSA-N 2 0 341.503 3.182 20 0 EGADRP C[NH+](C)C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000355854352 166327992 /nfs/dbraw/zinc/32/79/92/166327992.db2.gz HSONWGDJMMHNGC-KRWDZBQOSA-N 2 0 342.830 3.020 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000359249056 167106482 /nfs/dbraw/zinc/10/64/82/167106482.db2.gz UZOIYKMGOZUQEJ-RBUKOAKNSA-N 2 0 343.446 3.028 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000359311015 167122185 /nfs/dbraw/zinc/12/21/85/167122185.db2.gz KJZJFMBRGSLQJM-ICSRJNTNSA-N 2 0 343.515 3.203 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000359508635 167175668 /nfs/dbraw/zinc/17/56/68/167175668.db2.gz DKVVALWNZFBXGT-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2cccnc2)C2CCC2)ccn1 ZINC000360663787 167382852 /nfs/dbraw/zinc/38/28/52/167382852.db2.gz LOQZHBWCOJQUNQ-HXUWFJFHSA-N 2 0 340.471 3.048 20 0 EGADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000362248517 167710936 /nfs/dbraw/zinc/71/09/36/167710936.db2.gz DBBLJMJWOZKYBQ-UHFFFAOYSA-N 2 0 331.504 3.296 20 0 EGADRP C[C@H](CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000365792279 168043841 /nfs/dbraw/zinc/04/38/41/168043841.db2.gz BLSXPSSEEUZWJR-DYXWJJEUSA-N 2 0 329.532 3.138 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224895 168096341 /nfs/dbraw/zinc/09/63/41/168096341.db2.gz ZEXQDWPURNAUJK-NRSPTQNISA-N 2 0 329.532 3.219 20 0 EGADRP COCCCn1nccc1CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000367120785 168181753 /nfs/dbraw/zinc/18/17/53/168181753.db2.gz ILWFYPJGOZZXFI-OALUTQOASA-N 2 0 348.535 3.006 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851064 168277324 /nfs/dbraw/zinc/27/73/24/168277324.db2.gz UDOGLLJJYIBIGX-GOSISDBHSA-N 2 0 333.382 3.147 20 0 EGADRP CC(C)n1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967109 168290535 /nfs/dbraw/zinc/29/05/35/168290535.db2.gz SYQNJDFTKJJUMP-SFTDATJTSA-N 2 0 338.499 3.418 20 0 EGADRP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000158428524 225013212 /nfs/dbraw/zinc/01/32/12/225013212.db2.gz XZCZPVVHYXQDCR-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000123293002 222250266 /nfs/dbraw/zinc/25/02/66/222250266.db2.gz TYRXWXLUHFAZMM-UHFFFAOYSA-N 2 0 336.451 3.166 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000123602569 222304488 /nfs/dbraw/zinc/30/44/88/222304488.db2.gz WQYNPHDDZWSKJV-OAHLLOKOSA-N 2 0 346.496 3.003 20 0 EGADRP C[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000174031682 265019441 /nfs/dbraw/zinc/01/94/41/265019441.db2.gz WPZZTCMLYYRMGF-KLAILNCOSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180167424 265397515 /nfs/dbraw/zinc/39/75/15/265397515.db2.gz NSVRZVDZWSWRTK-GBESFXJTSA-N 2 0 344.499 3.218 20 0 EGADRP C[NH+](C)CCCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000194763997 266144582 /nfs/dbraw/zinc/14/45/82/266144582.db2.gz NUPRKKYJBVVJMT-UHFFFAOYSA-N 2 0 339.483 3.000 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227133167 266199319 /nfs/dbraw/zinc/19/93/19/266199319.db2.gz VDIREGCTJOHDKT-JKSUJKDBSA-N 2 0 327.513 3.096 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000273264655 267009264 /nfs/dbraw/zinc/00/92/64/267009264.db2.gz UGFLDQJVVKGSKV-HNNXBMFYSA-N 2 0 346.519 3.298 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000273309261 267016921 /nfs/dbraw/zinc/01/69/21/267016921.db2.gz WFQXTAZZNCCVQN-HUUCEWRRSA-N 2 0 337.533 3.168 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000274824138 267292456 /nfs/dbraw/zinc/29/24/56/267292456.db2.gz XCQLCMWDZSYLBL-MRXNPFEDSA-N 2 0 333.520 3.310 20 0 EGADRP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924629 267306525 /nfs/dbraw/zinc/30/65/25/267306525.db2.gz PPWITBKFPGHSBP-IEBWSBKVSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]([NH2+]CCc1cn2ccccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274950312 267310124 /nfs/dbraw/zinc/31/01/24/267310124.db2.gz UZVBCWPXAFYZSD-QUCCMNQESA-N 2 0 348.494 3.377 20 0 EGADRP C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274962950 267311960 /nfs/dbraw/zinc/31/19/60/267311960.db2.gz WXYZTDJYPILEMQ-IEBWSBKVSA-N 2 0 344.499 3.172 20 0 EGADRP CC1CC[NH+](CCCNC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275628589 267394133 /nfs/dbraw/zinc/39/41/33/267394133.db2.gz KHDNLEMYKNZXCN-UHFFFAOYSA-N 2 0 346.519 3.034 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1O ZINC000178407489 533687359 /nfs/dbraw/zinc/68/73/59/533687359.db2.gz XHRJHYTZFDLZCY-HNNXBMFYSA-N 2 0 344.455 3.192 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC(C(=O)OC)CC2)cc1 ZINC000277259935 267740392 /nfs/dbraw/zinc/74/03/92/267740392.db2.gz QEDIKOJJMAMJCL-UHFFFAOYSA-N 2 0 332.488 3.350 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1O ZINC000277267676 267742312 /nfs/dbraw/zinc/74/23/12/267742312.db2.gz RBJCYZYCKLCTLJ-MRXNPFEDSA-N 2 0 334.504 3.432 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C[C@H]3CCSC3)CC2)c1 ZINC000278389226 268001826 /nfs/dbraw/zinc/00/18/26/268001826.db2.gz MIKBBLIJEUNJME-LJQANCHMSA-N 2 0 347.572 3.240 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000151885959 275046735 /nfs/dbraw/zinc/04/67/35/275046735.db2.gz QBNFWGMCVSEMNY-MRXNPFEDSA-N 2 0 343.298 3.275 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(C)c(C)s2)CC1 ZINC000179678027 275203101 /nfs/dbraw/zinc/20/31/01/275203101.db2.gz IPPQISFDASNIIZ-UHFFFAOYSA-N 2 0 339.549 3.330 20 0 EGADRP C[C@H](C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237432592 275231601 /nfs/dbraw/zinc/23/16/01/275231601.db2.gz RLXNORHYRINNQA-PKOBYXMFSA-N 2 0 331.504 3.095 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271919385 275241503 /nfs/dbraw/zinc/24/15/03/275241503.db2.gz ZUHPFKVQQKGJBW-ZDUSSCGKSA-N 2 0 328.485 3.426 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000279832005 275363983 /nfs/dbraw/zinc/36/39/83/275363983.db2.gz GXFPMGOCDFMUNU-IXDOHACOSA-N 2 0 337.939 3.448 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C[C@@H](C)O1 ZINC000281344577 275541980 /nfs/dbraw/zinc/54/19/80/275541980.db2.gz UXQLDKMDPLPBOO-SPYBWZPUSA-N 2 0 335.467 3.151 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000281967766 275592471 /nfs/dbraw/zinc/59/24/71/275592471.db2.gz BJCHLGKAXQLOMY-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000282297211 275619954 /nfs/dbraw/zinc/61/99/54/275619954.db2.gz SLQKZYIXWBTUEF-QUCCMNQESA-N 2 0 334.504 3.312 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287287946 276104699 /nfs/dbraw/zinc/10/46/99/276104699.db2.gz BVAJYEALCJGTKY-ZWKOTPCHSA-N 2 0 341.503 3.286 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000358941133 276110055 /nfs/dbraw/zinc/11/00/55/276110055.db2.gz XZSPHEAMJBHXMZ-LJQANCHMSA-N 2 0 326.488 3.429 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000344234306 276154115 /nfs/dbraw/zinc/15/41/15/276154115.db2.gz OUURRPDKMQARFW-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP Clc1cccc2c(N3CC[NH+](C[C@H]4CCOC4)CC3)ccnc12 ZINC000287811239 276159461 /nfs/dbraw/zinc/15/94/61/276159461.db2.gz KEXZEMWRTINPON-CQSZACIVSA-N 2 0 331.847 3.047 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1)C(C)C ZINC000171454879 276353472 /nfs/dbraw/zinc/35/34/72/276353472.db2.gz KUJQQEAOPVNTDH-FQEVSTJZSA-N 2 0 343.515 3.227 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353227117 276383900 /nfs/dbraw/zinc/38/39/00/276383900.db2.gz ABKKCRMINQSIPX-MRXNPFEDSA-N 2 0 331.495 3.208 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353227116 276384143 /nfs/dbraw/zinc/38/41/43/276384143.db2.gz ABKKCRMINQSIPX-INIZCTEOSA-N 2 0 331.495 3.208 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122907540 276384416 /nfs/dbraw/zinc/38/44/16/276384416.db2.gz BEMNBRBEPSWTJU-WOJBJXKFSA-N 2 0 329.532 3.186 20 0 EGADRP COCCOCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000289770596 276391286 /nfs/dbraw/zinc/39/12/86/276391286.db2.gz PGPNIBFFDBDJMG-FQEVSTJZSA-N 2 0 334.504 3.060 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccc2c(c1)ncn2C)Cc1ccco1 ZINC000289800637 276397087 /nfs/dbraw/zinc/39/70/87/276397087.db2.gz MTUYKOFWHFGUOD-UHFFFAOYSA-N 2 0 326.444 3.120 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn(C)nc2C(F)F)cc1 ZINC000291302480 276623276 /nfs/dbraw/zinc/62/32/76/276623276.db2.gz WWQHHERWIBOBAJ-UHFFFAOYSA-N 2 0 336.430 3.489 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000340584671 277032275 /nfs/dbraw/zinc/03/22/75/277032275.db2.gz VFUJFSKWZDLINE-CQSZACIVSA-N 2 0 329.271 3.027 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)CC1 ZINC000192706106 277109225 /nfs/dbraw/zinc/10/92/25/277109225.db2.gz RMLQADKCDMVXNC-HXUWFJFHSA-N 2 0 339.483 3.194 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000092587398 277886702 /nfs/dbraw/zinc/88/67/02/277886702.db2.gz VUGASHVRXWNJBM-HZPDHXFCSA-N 2 0 348.535 3.028 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@@H](C)O1 ZINC000187135599 277888049 /nfs/dbraw/zinc/88/80/49/277888049.db2.gz YNXTZQKZJQVIBN-LMMKCTJWSA-N 2 0 338.536 3.155 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000121799408 278058107 /nfs/dbraw/zinc/05/81/07/278058107.db2.gz VCTZZDKHMGJODW-FQEVSTJZSA-N 2 0 345.531 3.251 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000339362470 278332283 /nfs/dbraw/zinc/33/22/83/278332283.db2.gz LYEGTBMZQWQJRL-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)C[C@@H](C)O1 ZINC000338202329 278746935 /nfs/dbraw/zinc/74/69/35/278746935.db2.gz ZNUHOAOVTJMYBB-HBUWYVDXSA-N 2 0 338.442 3.431 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152053257 288103068 /nfs/dbraw/zinc/10/30/68/288103068.db2.gz GVKXUCWJTGWFAQ-JTDSTZFVSA-N 2 0 334.479 3.192 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358909463 279139106 /nfs/dbraw/zinc/13/91/06/279139106.db2.gz BHZKBSGUFRCNBL-IBGZPJMESA-N 2 0 326.488 3.429 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236686302 279850027 /nfs/dbraw/zinc/85/00/27/279850027.db2.gz XJMWPKODDFNDIW-MISYRCLQSA-N 2 0 345.531 3.195 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161679063 280196102 /nfs/dbraw/zinc/19/61/02/280196102.db2.gz IEIOCBDYHRUDES-CZUORRHYSA-N 2 0 327.875 3.156 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1OC ZINC000120574703 295137580 /nfs/dbraw/zinc/13/75/80/295137580.db2.gz UEEKQYSMZXNGHT-QGZVFWFLSA-N 2 0 334.504 3.346 20 0 EGADRP C[C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237647504 298303205 /nfs/dbraw/zinc/30/32/05/298303205.db2.gz YVUPRNGITKKRTM-BRWVUGGUSA-N 2 0 349.544 3.027 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000263166132 301796845 /nfs/dbraw/zinc/79/68/45/301796845.db2.gz FEXPPQOOZAMFGD-DYXWJJEUSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000357856033 302206971 /nfs/dbraw/zinc/20/69/71/302206971.db2.gz DXAKEKSSUJZISP-VBRUWADQSA-N 2 0 345.531 3.364 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000052209833 307331903 /nfs/dbraw/zinc/33/19/03/307331903.db2.gz JTUIQLQCNUEOBT-UHFFFAOYSA-N 2 0 336.476 3.319 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccc(OC)nc2)c1 ZINC000414069305 309058982 /nfs/dbraw/zinc/05/89/82/309058982.db2.gz JDLNZEBZKBTVAS-MRXNPFEDSA-N 2 0 327.472 3.263 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000414130630 309062750 /nfs/dbraw/zinc/06/27/50/309062750.db2.gz WVCHYQGXMLMIEF-HOTGVXAUSA-N 2 0 344.528 3.097 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414183864 309065483 /nfs/dbraw/zinc/06/54/83/309065483.db2.gz NZASDMNXIWWJKC-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000414191382 309065941 /nfs/dbraw/zinc/06/59/41/309065941.db2.gz RWADOOYMOKKBHO-DBVUQKKJSA-N 2 0 344.499 3.490 20 0 EGADRP CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414326922 309073159 /nfs/dbraw/zinc/07/31/59/309073159.db2.gz OBAYVGJDLKOSCV-LJQANCHMSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414331268 309073385 /nfs/dbraw/zinc/07/33/85/309073385.db2.gz STSIFWVDZIMKNQ-JXFKEZNVSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000164957677 307928643 /nfs/dbraw/zinc/92/86/43/307928643.db2.gz CSEUZKQWJYDBPI-RTBURBONSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000171127256 307941630 /nfs/dbraw/zinc/94/16/30/307941630.db2.gz JIJDHYANNJKWEF-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCCO1 ZINC000248410140 308002274 /nfs/dbraw/zinc/00/22/74/308002274.db2.gz GSGQJGBMUOWQDG-XDWAVFMPSA-N 2 0 328.500 3.444 20 0 EGADRP CC(C)(C)[NH+]1CCC(N(CC[NH3+])c2ccc3ccccc3n2)CC1 ZINC000414487385 309083791 /nfs/dbraw/zinc/08/37/91/309083791.db2.gz KUYNRXHQVISZSN-UHFFFAOYSA-N 2 0 326.488 3.263 20 0 EGADRP c1coc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)c1 ZINC000294083624 308188714 /nfs/dbraw/zinc/18/87/14/308188714.db2.gz ALZDXELGTPMBII-LJQANCHMSA-N 2 0 340.471 3.070 20 0 EGADRP CC1(c2ccccc2)CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000294115428 308191446 /nfs/dbraw/zinc/19/14/46/308191446.db2.gz DEZDZEJKWCUUMF-PWAJEDTMSA-N 2 0 342.527 3.464 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000414524021 309086360 /nfs/dbraw/zinc/08/63/60/309086360.db2.gz ZAYFOPZTAIYCKP-ZIFCJYIRSA-N 2 0 345.531 3.120 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000294692771 308246637 /nfs/dbraw/zinc/24/66/37/308246637.db2.gz ATNDFHMJIAJYPZ-CEXWTWQISA-N 2 0 341.524 3.494 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](CC1CCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718490 309097221 /nfs/dbraw/zinc/09/72/21/309097221.db2.gz ZECHAWQJWIRZHV-HKUYNNGSSA-N 2 0 343.515 3.047 20 0 EGADRP COc1ccccc1COC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414742444 309098391 /nfs/dbraw/zinc/09/83/91/309098391.db2.gz GGZKAPUCHOWXQK-DLBZAZTESA-N 2 0 332.488 3.064 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414743514 309098487 /nfs/dbraw/zinc/09/84/87/309098487.db2.gz HGMHKQYQYZDKDC-RDJZCZTQSA-N 2 0 326.488 3.370 20 0 EGADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000414772216 309100011 /nfs/dbraw/zinc/10/00/11/309100011.db2.gz BKWDFIMBUYKBJG-ROUUACIJSA-N 2 0 325.456 3.472 20 0 EGADRP CSc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000414777907 309100469 /nfs/dbraw/zinc/10/04/69/309100469.db2.gz IOTLCERJUOMYCG-GJZGRUSLSA-N 2 0 348.512 3.001 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414779432 309100643 /nfs/dbraw/zinc/10/06/43/309100643.db2.gz KBCOZQQIJYDXKM-LSDHHAIUSA-N 2 0 338.879 3.179 20 0 EGADRP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414779599 309100684 /nfs/dbraw/zinc/10/06/84/309100684.db2.gz KMXFLWLXCKJOJH-HOTGVXAUSA-N 2 0 342.405 3.449 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000414786194 309101218 /nfs/dbraw/zinc/10/12/18/309101218.db2.gz UGUXJOMKCXJIKJ-ROUUACIJSA-N 2 0 338.499 3.217 20 0 EGADRP COc1cc(CN[C@@H](C[NH3+])C2CC2)ccc1OCc1cccs1 ZINC000414790878 309101492 /nfs/dbraw/zinc/10/14/92/309101492.db2.gz AOCBPSKRZLKCPA-INIZCTEOSA-N 2 0 332.469 3.163 20 0 EGADRP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414794670 309101754 /nfs/dbraw/zinc/10/17/54/309101754.db2.gz VLUMEQRQUZINEH-QGZVFWFLSA-N 2 0 340.467 3.036 20 0 EGADRP CC[NH+]1CCN(c2ccccc2CNc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414797116 309102074 /nfs/dbraw/zinc/10/20/74/309102074.db2.gz AXGQZOJTVLVCOU-QGZVFWFLSA-N 2 0 338.499 3.460 20 0 EGADRP COc1sc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000414799576 309102248 /nfs/dbraw/zinc/10/22/48/309102248.db2.gz KCUJDICQZIDPNK-BXKDBHETSA-N 2 0 333.295 3.126 20 0 EGADRP COc1sc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000414799581 309102313 /nfs/dbraw/zinc/10/23/13/309102313.db2.gz KCUJDICQZIDPNK-SKDRFNHKSA-N 2 0 333.295 3.126 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414802390 309102487 /nfs/dbraw/zinc/10/24/87/309102487.db2.gz MUMBTZDNSHJARQ-UONOGXRCSA-N 2 0 328.403 3.294 20 0 EGADRP FC(F)COc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298594374 308626845 /nfs/dbraw/zinc/62/68/45/308626845.db2.gz YQUMGLNXKGXXFS-UHFFFAOYSA-N 2 0 347.409 3.484 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CNCc3ccc([C@@H](C)[NH3+])cc3)sc2C1 ZINC000414814010 309103362 /nfs/dbraw/zinc/10/33/62/309103362.db2.gz VADBVKWOLOSFSU-CQSZACIVSA-N 2 0 344.528 3.219 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414826367 309104117 /nfs/dbraw/zinc/10/41/17/309104117.db2.gz VQHDDXRYUITKJE-MAUKXSAKSA-N 2 0 325.456 3.235 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414840451 309104771 /nfs/dbraw/zinc/10/47/71/309104771.db2.gz XCDOBLZCVWFPQW-MRXNPFEDSA-N 2 0 346.906 3.291 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000414842585 309105043 /nfs/dbraw/zinc/10/50/43/309105043.db2.gz PDTVPQCBQJSOKH-MRXNPFEDSA-N 2 0 328.456 3.219 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414848082 309105345 /nfs/dbraw/zinc/10/53/45/309105345.db2.gz WRLIQQSFKIQZLV-CHWSQXEVSA-N 2 0 343.284 3.499 20 0 EGADRP Cc1ccccc1[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000411489086 308941130 /nfs/dbraw/zinc/94/11/30/308941130.db2.gz MFKMPWRPBHIFOM-OAQYLSRUSA-N 2 0 343.515 3.025 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000412415679 308985525 /nfs/dbraw/zinc/98/55/25/308985525.db2.gz JWBVRDSBSKBJQJ-QGZVFWFLSA-N 2 0 335.492 3.041 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414900257 309108135 /nfs/dbraw/zinc/10/81/35/309108135.db2.gz IDOCNZHKNFIGEH-CYBMUJFWSA-N 2 0 325.294 3.359 20 0 EGADRP C[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC000414904391 309108468 /nfs/dbraw/zinc/10/84/68/309108468.db2.gz JWYLIPLTSOXYCI-LJQANCHMSA-N 2 0 335.923 3.284 20 0 EGADRP CC1(C[NH2+]Cc2ccccc2OCc2ccccn2)CC[NH2+]CC1 ZINC000414913336 309108915 /nfs/dbraw/zinc/10/89/15/309108915.db2.gz WIBKAXCARVDBGD-UHFFFAOYSA-N 2 0 325.456 3.140 20 0 EGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2)n1 ZINC000414918653 309109345 /nfs/dbraw/zinc/10/93/45/309109345.db2.gz SOBSOIKTQIZURI-AWEZNQCLSA-N 2 0 338.377 3.123 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000414932368 309109980 /nfs/dbraw/zinc/10/99/80/309109980.db2.gz VOZBIQWHPBFTJC-MNOVXSKESA-N 2 0 349.219 3.410 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(C)cc(N)c2)CC1 ZINC000414972775 309112336 /nfs/dbraw/zinc/11/23/36/309112336.db2.gz YGYMAVYRQMMDAX-UHFFFAOYSA-N 2 0 338.499 3.009 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002358 309113597 /nfs/dbraw/zinc/11/35/97/309113597.db2.gz MDCLKCICOOVTSZ-GKBFQHABSA-N 2 0 347.522 3.419 20 0 EGADRP COc1ccc(Br)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415003411 309113821 /nfs/dbraw/zinc/11/38/21/309113821.db2.gz XCQXBTBWOSPCDM-AAEUAGOBSA-N 2 0 327.266 3.065 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)sc1Br ZINC000415006286 309113996 /nfs/dbraw/zinc/11/39/96/309113996.db2.gz KHTISHUDYXPULZ-QWHCGFSZSA-N 2 0 329.307 3.297 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000415013665 309114317 /nfs/dbraw/zinc/11/43/17/309114317.db2.gz YVFZVEWAUNIYLZ-JSGCOSHPSA-N 2 0 346.393 3.243 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000415011976 309114335 /nfs/dbraw/zinc/11/43/35/309114335.db2.gz WSPHFTYBFPAZRS-SOUVJXGZSA-N 2 0 337.895 3.473 20 0 EGADRP CCOc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1OC(F)F ZINC000415014332 309114388 /nfs/dbraw/zinc/11/43/88/309114388.db2.gz WSFYPDCQPRTTFB-LSDHHAIUSA-N 2 0 340.414 3.164 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CCC[NH3+] ZINC000415024856 309114936 /nfs/dbraw/zinc/11/49/36/309114936.db2.gz PTNXMIXVGXCMSY-NWDGAFQWSA-N 2 0 331.382 3.140 20 0 EGADRP CSc1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)OCCO2 ZINC000415024389 309114955 /nfs/dbraw/zinc/11/49/55/309114955.db2.gz NIHOSTSTNNFJET-HDJSIYSDSA-N 2 0 336.501 3.034 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000415023181 309114975 /nfs/dbraw/zinc/11/49/75/309114975.db2.gz MJQMVDMWKYHACE-XJKSGUPXSA-N 2 0 326.868 3.115 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415043301 309116139 /nfs/dbraw/zinc/11/61/39/309116139.db2.gz RSURLMOACCNNTP-IUODEOHRSA-N 2 0 341.293 3.455 20 0 EGADRP Fc1ccc(C(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccc(F)cc2)cc1 ZINC000415045731 309116393 /nfs/dbraw/zinc/11/63/93/309116393.db2.gz UFBRGDBRECSHLI-IBGZPJMESA-N 2 0 346.421 3.065 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057065 309117068 /nfs/dbraw/zinc/11/70/68/309117068.db2.gz TTZHQLOCMMUJHA-HLAWJBBLSA-N 2 0 344.499 3.208 20 0 EGADRP Fc1ccc(CN2CCC[C@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000415075449 309118615 /nfs/dbraw/zinc/11/86/15/309118615.db2.gz BJVYOFNEVLMNGY-YOEHRIQHSA-N 2 0 339.886 3.033 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415084161 309119118 /nfs/dbraw/zinc/11/91/18/309119118.db2.gz OGRJBOFJKJOYTH-YRGRVCCFSA-N 2 0 343.284 3.497 20 0 EGADRP CC1(C)Cc2cccc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)c2O1 ZINC000415123584 309121907 /nfs/dbraw/zinc/12/19/07/309121907.db2.gz LGQFPHQOTMQGSZ-RTBURBONSA-N 2 0 344.499 3.118 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCCCOc3ccccc3)CC2)C1 ZINC000415126749 309122244 /nfs/dbraw/zinc/12/22/44/309122244.db2.gz PXRWVSOZKFXHGE-TZIWHRDSSA-N 2 0 346.515 3.454 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)C1 ZINC000415130581 309122575 /nfs/dbraw/zinc/12/25/75/309122575.db2.gz XHCVKWVFCNSSKO-GGTNQSDNSA-N 2 0 336.426 3.196 20 0 EGADRP [NH3+]CCCN(c1cccc(F)c1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415129492 309122586 /nfs/dbraw/zinc/12/25/86/309122586.db2.gz ZCIUPVCWTWTUAU-PMACEKPBSA-N 2 0 327.447 3.474 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880491 309145673 /nfs/dbraw/zinc/14/56/73/309145673.db2.gz FVKJOMCKHQCSPY-MRXNPFEDSA-N 2 0 344.503 3.108 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415966557 309151818 /nfs/dbraw/zinc/15/18/18/309151818.db2.gz ADNGIRNOFPCIQQ-OAHLLOKOSA-N 2 0 332.492 3.167 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000415977438 309152437 /nfs/dbraw/zinc/15/24/37/309152437.db2.gz YHCPQOBBAHHUME-MRXNPFEDSA-N 2 0 346.519 3.428 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1 ZINC000416090435 309157998 /nfs/dbraw/zinc/15/79/98/309157998.db2.gz DGKZCJWJBQUQPW-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000416133901 309160210 /nfs/dbraw/zinc/16/02/10/309160210.db2.gz ILYNWRSBLSVTLL-QZTJIDSGSA-N 2 0 345.512 3.160 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416181802 309162578 /nfs/dbraw/zinc/16/25/78/309162578.db2.gz TULUNGVIVJAZAJ-QUCCMNQESA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417389393 309204019 /nfs/dbraw/zinc/20/40/19/309204019.db2.gz JBCVZXALAWLLHL-IBGZPJMESA-N 2 0 346.519 3.030 20 0 EGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000418649671 309252208 /nfs/dbraw/zinc/25/22/08/309252208.db2.gz JKZBLXUWDVBRIX-IBGZPJMESA-N 2 0 348.535 3.009 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420286181 309279363 /nfs/dbraw/zinc/27/93/63/309279363.db2.gz FTSISYFFVWAAQG-KGLIPLIRSA-N 2 0 330.428 3.169 20 0 EGADRP COCC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)c1ccccc1 ZINC000420295493 309279897 /nfs/dbraw/zinc/27/98/97/309279897.db2.gz ARPOQMTXZYUWNR-FXAWDEMLSA-N 2 0 342.483 3.447 20 0 EGADRP Cn1nc(CCC[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC000420300980 309280417 /nfs/dbraw/zinc/28/04/17/309280417.db2.gz IGAYHYXUPHLGGR-INIZCTEOSA-N 2 0 344.478 3.090 20 0 EGADRP c1csc(C[N@@H+](CC[C@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420303290 309280436 /nfs/dbraw/zinc/28/04/36/309280436.db2.gz CRBGSKMKLDAISR-CVEARBPZSA-N 2 0 335.517 3.046 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420306865 309280733 /nfs/dbraw/zinc/28/07/33/309280733.db2.gz BCRXQQLYXKUWRD-SFHLNBCPSA-N 2 0 329.532 3.361 20 0 EGADRP COc1cccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420323423 309282408 /nfs/dbraw/zinc/28/24/08/309282408.db2.gz UGCZVZPRTIBEGG-PXNSSMCTSA-N 2 0 332.488 3.066 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc2o1 ZINC000420328937 309282579 /nfs/dbraw/zinc/28/25/79/309282579.db2.gz NOOLAVKWOPWYQV-CVEARBPZSA-N 2 0 342.439 3.041 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336074 309283004 /nfs/dbraw/zinc/28/30/04/309283004.db2.gz IKGKSNXHUWDVJO-JYJNAYRXSA-N 2 0 349.906 3.297 20 0 EGADRP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420337773 309283099 /nfs/dbraw/zinc/28/30/99/309283099.db2.gz XAUSOSMDAQGROE-CVEARBPZSA-N 2 0 344.890 3.347 20 0 EGADRP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420337850 309283122 /nfs/dbraw/zinc/28/31/22/309283122.db2.gz XHOKUPHYQLDNNH-KBPBESRZSA-N 2 0 326.843 3.179 20 0 EGADRP COC(=O)c1cc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)ccc2o1 ZINC000420340117 309283265 /nfs/dbraw/zinc/28/32/65/309283265.db2.gz RXPDOMJLHFNXOK-QGZVFWFLSA-N 2 0 342.439 3.183 20 0 EGADRP c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)n2)cc1 ZINC000420367076 309284525 /nfs/dbraw/zinc/28/45/25/309284525.db2.gz GNNFXLHCEDDRAE-SFHVURJKSA-N 2 0 339.487 3.041 20 0 EGADRP FC(F)Oc1cccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420376288 309285133 /nfs/dbraw/zinc/28/51/33/309285133.db2.gz QHDCZBUKTMYZRJ-PBHICJAKSA-N 2 0 340.414 3.051 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000420382370 309285506 /nfs/dbraw/zinc/28/55/06/309285506.db2.gz PRPJXWSOCKJXJL-RTBURBONSA-N 2 0 336.907 3.491 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000420389154 309285887 /nfs/dbraw/zinc/28/58/87/309285887.db2.gz XZDWTFFEIOYUSH-AABGKKOBSA-N 2 0 332.463 3.421 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)C1 ZINC000420393686 309286163 /nfs/dbraw/zinc/28/61/63/309286163.db2.gz QPPZLEPXBYHDJU-MSOLQXFVSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420399105 309286524 /nfs/dbraw/zinc/28/65/24/309286524.db2.gz ZNHVWMQHPRLFFE-PZJWPPBQSA-N 2 0 346.515 3.291 20 0 EGADRP CCN1CCC([N@@H+]2CCCN(c3nc4cc(C)ccc4o3)CC2)CC1 ZINC000420629513 309290864 /nfs/dbraw/zinc/29/08/64/309290864.db2.gz QWSUQOYTGNPIBK-UHFFFAOYSA-N 2 0 342.487 3.133 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](C)c3ccccc3)CC2)CC1 ZINC000420982573 309305778 /nfs/dbraw/zinc/30/57/78/309305778.db2.gz PMNLDMFYKURKTI-LJQANCHMSA-N 2 0 329.532 3.282 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000421025040 309308479 /nfs/dbraw/zinc/30/84/79/309308479.db2.gz CUYHLPFODVHCIA-SFHVURJKSA-N 2 0 346.515 3.346 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000421375519 309321515 /nfs/dbraw/zinc/32/15/15/309321515.db2.gz QCPBPJRZVYRVFA-UHFFFAOYSA-N 2 0 337.458 3.396 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377935 309321672 /nfs/dbraw/zinc/32/16/72/309321672.db2.gz UQHIMHZGLFPEMS-FAEJEUNOSA-N 2 0 331.504 3.429 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422938952 309377249 /nfs/dbraw/zinc/37/72/49/309377249.db2.gz FEWRKQUCZDCLCL-LSDHHAIUSA-N 2 0 327.266 3.078 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422558915 309361563 /nfs/dbraw/zinc/36/15/63/309361563.db2.gz BGTCPGIGVVTXBE-YCPHGPKFSA-N 2 0 330.451 3.125 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000422561447 309361634 /nfs/dbraw/zinc/36/16/34/309361634.db2.gz LGMLVVGSWUPQKJ-AOIWGVFYSA-N 2 0 339.483 3.466 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636682 309363141 /nfs/dbraw/zinc/36/31/41/309363141.db2.gz NLWIVKDPYSSCDA-ILXRZTDVSA-N 2 0 335.517 3.042 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422700003 309363522 /nfs/dbraw/zinc/36/35/22/309363522.db2.gz FTLKDWBAAKCIIX-ABAIWWIYSA-N 2 0 329.257 3.108 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422699671 309363632 /nfs/dbraw/zinc/36/36/32/309363632.db2.gz AYAFLOKLORXEEK-CXAGYDPISA-N 2 0 343.437 3.286 20 0 EGADRP CC[NH+](CC)[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422699672 309363673 /nfs/dbraw/zinc/36/36/73/309363673.db2.gz AYAFLOKLORXEEK-DYVFJYSZSA-N 2 0 343.437 3.286 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccccc2C)C2CC2)CC[NH2+]CC1 ZINC000422706275 309363999 /nfs/dbraw/zinc/36/39/99/309363999.db2.gz DTARGRBROVPWEZ-VQIMIIECSA-N 2 0 344.499 3.357 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422710153 309364270 /nfs/dbraw/zinc/36/42/70/309364270.db2.gz LAIWRVBKPVYTSF-UKRRQHHQSA-N 2 0 340.309 3.135 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422711778 309364328 /nfs/dbraw/zinc/36/43/28/309364328.db2.gz GGADVPPZNWUBEV-OXQOHEQNSA-N 2 0 325.456 3.138 20 0 EGADRP Clc1cc(Cl)cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422716476 309364569 /nfs/dbraw/zinc/36/45/69/309364569.db2.gz NFIGLOMPOLWWQS-IXDOHACOSA-N 2 0 343.298 3.283 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422715351 309364594 /nfs/dbraw/zinc/36/45/94/309364594.db2.gz JDZOECJSSVWPRO-PCCBWWKXSA-N 2 0 345.506 3.300 20 0 EGADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721635 309364859 /nfs/dbraw/zinc/36/48/59/309364859.db2.gz VWEAJSRKTPYDQJ-BWAGFHJFSA-N 2 0 335.495 3.285 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422725932 309365068 /nfs/dbraw/zinc/36/50/68/309365068.db2.gz CPRALKLENWQRKA-USXIJHARSA-N 2 0 343.298 3.283 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422728582 309365438 /nfs/dbraw/zinc/36/54/38/309365438.db2.gz JKRLVKUJPSDCBG-LSDHHAIUSA-N 2 0 326.444 3.112 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)c2ccccc2)CC1 ZINC000422731361 309365664 /nfs/dbraw/zinc/36/56/64/309365664.db2.gz GXXXUBMDWDLTHX-CEWLAPEOSA-N 2 0 329.532 3.437 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)N(C)C ZINC000422740225 309366038 /nfs/dbraw/zinc/36/60/38/309366038.db2.gz BEGSHGZNADHRLU-AOIWGVFYSA-N 2 0 333.520 3.198 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422736970 309366074 /nfs/dbraw/zinc/36/60/74/309366074.db2.gz WSJJRTLHEICLJR-DSKINZAPSA-N 3 0 345.531 3.342 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)N2CCCCC2)cc1 ZINC000422760905 309367087 /nfs/dbraw/zinc/36/70/87/309367087.db2.gz MHBHMYMXCNEZRQ-YYWHXJBOSA-N 2 0 345.531 3.200 20 0 EGADRP C[C@H](C[C@@H]1COCC[NH2+]1)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000422774017 309367753 /nfs/dbraw/zinc/36/77/53/309367753.db2.gz ZSWFRQQGBAYAJX-WSTZPKSXSA-N 2 0 345.531 3.007 20 0 EGADRP Cc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422789073 309368177 /nfs/dbraw/zinc/36/81/77/309368177.db2.gz SZNDCFSFVCSICY-UIFIKXQLSA-N 2 0 325.500 3.146 20 0 EGADRP Cc1nc(C)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422791314 309368372 /nfs/dbraw/zinc/36/83/72/309368372.db2.gz USAMVKZEAWNRBW-YJBOKZPZSA-N 2 0 329.469 3.105 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(Br)c1 ZINC000422792931 309368397 /nfs/dbraw/zinc/36/83/97/309368397.db2.gz FAFHLIYHBNUAQM-IOASZLSFSA-N 2 0 341.293 3.194 20 0 EGADRP COc1cccc(O[C@H](C)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422793817 309368760 /nfs/dbraw/zinc/36/87/60/309368760.db2.gz SWLRWZSVWZNBGA-GUXCAODWSA-N 2 0 328.456 3.011 20 0 EGADRP c1cc2c(cc1C1(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC1)OCCO2 ZINC000422797779 309368770 /nfs/dbraw/zinc/36/87/70/309368770.db2.gz OLAFUSVRORPAIL-JWTNVVGKSA-N 2 0 342.483 3.142 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)c1 ZINC000422812673 309369815 /nfs/dbraw/zinc/36/98/15/309369815.db2.gz YEFFFBJRQBJRPV-PWRODBHTSA-N 2 0 338.499 3.332 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422824302 309370389 /nfs/dbraw/zinc/37/03/89/309370389.db2.gz NKAROJGMNBRLKD-HZPDHXFCSA-N 2 0 330.394 3.373 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422829975 309370722 /nfs/dbraw/zinc/37/07/22/309370722.db2.gz QGTQZWJMQGGAOF-MOPGFXCFSA-N 2 0 334.467 3.302 20 0 EGADRP c1ccc(COCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422834629 309370816 /nfs/dbraw/zinc/37/08/16/309370816.db2.gz ZXFLOEFOBZKNIU-TZIWHRDSSA-N 2 0 338.451 3.049 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422832559 309370886 /nfs/dbraw/zinc/37/08/86/309370886.db2.gz XYOJIYODJHVVOQ-KZNAEPCWSA-N 2 0 344.499 3.246 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCOC1CCCC1 ZINC000422832716 309370926 /nfs/dbraw/zinc/37/09/26/309370926.db2.gz VKGKOYBDYNTBGM-QUCCMNQESA-N 2 0 330.472 3.181 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCCOc1ccc(F)cc1 ZINC000422837462 309371076 /nfs/dbraw/zinc/37/10/76/309371076.db2.gz UNSBIRPKVFYZKY-CQSZACIVSA-N 2 0 331.435 3.498 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422839231 309371421 /nfs/dbraw/zinc/37/14/21/309371421.db2.gz QANBTJSSITVUQV-XLIONFOSSA-N 2 0 347.466 3.151 20 0 EGADRP COc1ccc([C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422857035 309372168 /nfs/dbraw/zinc/37/21/68/309372168.db2.gz GMLWCMVAZGYVGU-WMQCIHAUSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422876340 309373532 /nfs/dbraw/zinc/37/35/32/309373532.db2.gz GEZWITXVVGYZJU-NDXORKPFSA-N 2 0 340.467 3.108 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882949 309373834 /nfs/dbraw/zinc/37/38/34/309373834.db2.gz PQUXZBBZCVXFCX-RCLSDMTESA-N 3 0 331.548 3.293 20 0 EGADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(OC(F)F)c1 ZINC000422888166 309374256 /nfs/dbraw/zinc/37/42/56/309374256.db2.gz MITZZFSQWOFNMU-DOMZBBRYSA-N 2 0 328.403 3.294 20 0 EGADRP COCCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422886443 309374326 /nfs/dbraw/zinc/37/43/26/309374326.db2.gz IZUUUCQSCFHGOI-YLJYHZDGSA-N 2 0 330.472 3.039 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422886913 309374351 /nfs/dbraw/zinc/37/43/51/309374351.db2.gz AACBHWKTCHKDKE-HKUYNNGSSA-N 3 0 333.520 3.014 20 0 EGADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1nc2c(s1)CCCC2 ZINC000422912239 309375766 /nfs/dbraw/zinc/37/57/66/309375766.db2.gz VNVWXKRBZCDSSC-XHSDSOJGSA-N 2 0 333.545 3.465 20 0 EGADRP FC(F)n1c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc2ccccc21 ZINC000422909945 309375909 /nfs/dbraw/zinc/37/59/09/309375909.db2.gz GZHAOJXGIQLNLQ-KFWWJZLASA-N 2 0 348.441 3.484 20 0 EGADRP CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000422914540 309375946 /nfs/dbraw/zinc/37/59/46/309375946.db2.gz URLABTMPUAJRNZ-XUVXKRRUSA-N 2 0 341.499 3.020 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932645 309376720 /nfs/dbraw/zinc/37/67/20/309376720.db2.gz GEULYKLTDNGHEL-FFZOFVMBSA-N 2 0 340.467 3.074 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422982343 309379554 /nfs/dbraw/zinc/37/95/54/309379554.db2.gz QQKDIRJSRMVQHC-HUUCEWRRSA-N 2 0 334.851 3.182 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000423005142 309380612 /nfs/dbraw/zinc/38/06/12/309380612.db2.gz QVUSBUYDQUDINW-ZZPLLCAGSA-N 3 0 327.516 3.160 20 0 EGADRP FC(F)(F)CSCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423015846 309381140 /nfs/dbraw/zinc/38/11/40/309381140.db2.gz LLOCSQQVOFQCES-DZGCQCFKSA-N 2 0 346.418 3.127 20 0 EGADRP C[C@H](CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCCCC1 ZINC000423035673 309382278 /nfs/dbraw/zinc/38/22/78/309382278.db2.gz SGOKMHWKXVSHCZ-LMNJBCLMSA-N 2 0 343.515 3.096 20 0 EGADRP Cc1cnc([C@H](C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423038280 309382358 /nfs/dbraw/zinc/38/23/58/309382358.db2.gz OEZICVGVQXJJKU-ACWOFJMJSA-N 2 0 343.496 3.401 20 0 EGADRP Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)CCCC[NH3+])nc12 ZINC000423042509 309382630 /nfs/dbraw/zinc/38/26/30/309382630.db2.gz ZNURHRWDQXUFMY-LBPRGKRZSA-N 2 0 339.281 3.012 20 0 EGADRP C[C@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000423046184 309382817 /nfs/dbraw/zinc/38/28/17/309382817.db2.gz FBRBITHZEMCEFE-IAOVAPTHSA-N 2 0 343.437 3.428 20 0 EGADRP Cn1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000423050124 309383004 /nfs/dbraw/zinc/38/30/04/309383004.db2.gz KULCSJXGQRATLZ-BPQIPLTHSA-N 2 0 326.488 3.016 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3sccc32)CC[NH2+]CC1 ZINC000423054389 309383372 /nfs/dbraw/zinc/38/33/72/309383372.db2.gz URQTUIFXZGKLGY-HIFRSBDPSA-N 2 0 336.501 3.037 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423061285 309383736 /nfs/dbraw/zinc/38/37/36/309383736.db2.gz QLQWNGUPTDTIMJ-RCBQFDQVSA-N 2 0 342.405 3.079 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)N(C)C ZINC000423060882 309383800 /nfs/dbraw/zinc/38/38/00/309383800.db2.gz PPJRFWONZOGUAI-WJPUGNRLSA-N 2 0 340.515 3.499 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066854 309384214 /nfs/dbraw/zinc/38/42/14/309384214.db2.gz FNZAZUIVHOMFSQ-RISCZKNCSA-N 2 0 344.286 3.206 20 0 EGADRP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423070234 309384348 /nfs/dbraw/zinc/38/43/48/309384348.db2.gz FUPKWAMOQVUBGL-FDKIHUSFSA-N 2 0 328.500 3.460 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C3CCC3)cc2)CC[NH2+]CC1 ZINC000423072969 309384417 /nfs/dbraw/zinc/38/44/17/309384417.db2.gz KCNAMZRABYNHSO-MRXNPFEDSA-N 2 0 344.499 3.365 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1OC(F)F ZINC000423076846 309384583 /nfs/dbraw/zinc/38/45/83/309384583.db2.gz ZYARAHDIOISEGL-YOEHRIQHSA-N 2 0 334.410 3.379 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1Cl ZINC000423075305 309384630 /nfs/dbraw/zinc/38/46/30/309384630.db2.gz WNNWIQZTEBZUPG-UKPHBRMFSA-N 2 0 340.895 3.361 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccccc1OC(F)F ZINC000423075339 309384710 /nfs/dbraw/zinc/38/47/10/309384710.db2.gz WSVZVANMFQGSKQ-LBPRGKRZSA-N 2 0 335.398 3.343 20 0 EGADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423080836 309384821 /nfs/dbraw/zinc/38/48/21/309384821.db2.gz ASBYKQFXAXQDLW-DABHTEOTSA-N 2 0 332.463 3.209 20 0 EGADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423110304 309386579 /nfs/dbraw/zinc/38/65/79/309386579.db2.gz PCKASQKSWPMGSC-UMSONDCASA-N 2 0 346.515 3.324 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423130186 309387465 /nfs/dbraw/zinc/38/74/65/309387465.db2.gz MVHSAARSSGRKTH-VQIMIIECSA-N 2 0 344.499 3.283 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCCC23CCCC3)CC[NH2+]CC1 ZINC000423132701 309387675 /nfs/dbraw/zinc/38/76/75/309387675.db2.gz BYQIOMPQYROFBC-IRXDYDNUSA-N 2 0 336.520 3.400 20 0 EGADRP COCC1(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423133546 309387731 /nfs/dbraw/zinc/38/77/31/309387731.db2.gz KXAJPAAQMSWXOA-XLIONFOSSA-N 2 0 330.472 3.039 20 0 EGADRP CC[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144358 309388214 /nfs/dbraw/zinc/38/82/14/309388214.db2.gz YRWXSXBGWPIFPE-ACRUOGEOSA-N 2 0 329.532 3.409 20 0 EGADRP CC(C)OCCOC1CC[NH+]([C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423152018 309388537 /nfs/dbraw/zinc/38/85/37/309388537.db2.gz FDLOEUJBRNGVPB-ROUUACIJSA-N 2 0 326.525 3.203 20 0 EGADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423162908 309388941 /nfs/dbraw/zinc/38/89/41/309388941.db2.gz UUNJVQMQHRCZTN-KBRIMQKVSA-N 2 0 326.843 3.368 20 0 EGADRP COCC1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423174413 309389213 /nfs/dbraw/zinc/38/92/13/309389213.db2.gz CAXWWWOKACDCKW-JQGZUDLISA-N 2 0 330.472 3.037 20 0 EGADRP Fc1cccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2cccc(Cl)c2)c1 ZINC000423201549 309390392 /nfs/dbraw/zinc/39/03/92/309390392.db2.gz IVHYGVJBUBPHBV-LJQANCHMSA-N 2 0 347.865 3.063 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000423223992 309391148 /nfs/dbraw/zinc/39/11/48/309391148.db2.gz BFSXPVVETVOXOS-BFGFKNPTSA-N 3 0 327.516 3.289 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423255357 309392483 /nfs/dbraw/zinc/39/24/83/309392483.db2.gz BTLIFNFBXRHDIT-DLBZAZTESA-N 2 0 342.487 3.039 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000423258401 309392612 /nfs/dbraw/zinc/39/26/12/309392612.db2.gz MAKSOMVQUFUMLT-STQMWFEESA-N 2 0 328.403 3.337 20 0 EGADRP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCCCC1 ZINC000423264299 309392943 /nfs/dbraw/zinc/39/29/43/309392943.db2.gz PUTJQNWSHNKWOI-CBPXPLCBSA-N 2 0 341.543 3.394 20 0 EGADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423301418 309394415 /nfs/dbraw/zinc/39/44/15/309394415.db2.gz GDKYOLPTVYCXRA-BMIGLBTASA-N 2 0 336.277 3.492 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423303526 309394641 /nfs/dbraw/zinc/39/46/41/309394641.db2.gz LYAGSXOMFZMMHI-XSDIEEQYSA-N 2 0 327.516 3.019 20 0 EGADRP COc1ccc([C@@H]([NH2+]C[C@H](C)C[NH3+])C(C)C)c(Br)c1 ZINC000423314024 309394869 /nfs/dbraw/zinc/39/48/69/309394869.db2.gz XVCZNOYJASAVPJ-ABAIWWIYSA-N 2 0 329.282 3.339 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000423324720 309395138 /nfs/dbraw/zinc/39/51/38/309395138.db2.gz IFSOVTWRWOVUIU-FXAWDEMLSA-N 2 0 345.531 3.154 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423322576 309395192 /nfs/dbraw/zinc/39/51/92/309395192.db2.gz IVYVHKCZLUQDCV-JXFKEZNVSA-N 2 0 337.467 3.101 20 0 EGADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423333218 309395775 /nfs/dbraw/zinc/39/57/75/309395775.db2.gz DXYUVZMRHUAYIT-MAUKXSAKSA-N 2 0 348.462 3.344 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423351064 309396515 /nfs/dbraw/zinc/39/65/15/309396515.db2.gz HKAHRHBTSIJWEK-BHDDXSALSA-N 3 0 339.527 3.187 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000423356113 309396728 /nfs/dbraw/zinc/39/67/28/309396728.db2.gz PZEHMNVUJSECEV-QFBILLFUSA-N 2 0 331.504 3.273 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000423363150 309397005 /nfs/dbraw/zinc/39/70/05/309397005.db2.gz BNFOOWGHGOCSCP-YJBOKZPZSA-N 2 0 341.455 3.175 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000423377044 309397712 /nfs/dbraw/zinc/39/77/12/309397712.db2.gz VPFPVSXYKSUTHK-BFVZDQMLSA-N 2 0 327.241 3.435 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000423378780 309397760 /nfs/dbraw/zinc/39/77/60/309397760.db2.gz ZWKOVNQNNFAEGO-HXUWFJFHSA-N 2 0 345.531 3.441 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)[NH+]2CCCC2)o1 ZINC000423389354 309398203 /nfs/dbraw/zinc/39/82/03/309398203.db2.gz JJPMUYJKXOSOOK-ROUUACIJSA-N 2 0 347.503 3.139 20 0 EGADRP CC(C)C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423392794 309398330 /nfs/dbraw/zinc/39/83/30/309398330.db2.gz QNSGUPMBSCLMMD-ZFWWWQNUSA-N 2 0 349.466 3.261 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423418079 309399548 /nfs/dbraw/zinc/39/95/48/309399548.db2.gz GOCIBMTZHBUMNG-BZSNNMDCSA-N 3 0 333.520 3.043 20 0 EGADRP Fc1ccc([C@@H](C[C@@H]2CCCO2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423420223 309399725 /nfs/dbraw/zinc/39/97/25/309399725.db2.gz AGTPNWPJYAFSOT-VNTMZGSJSA-N 2 0 332.463 3.414 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423419922 309399776 /nfs/dbraw/zinc/39/97/76/309399776.db2.gz BFQGXVCCKOQJEA-OLZOCXBDSA-N 2 0 335.883 3.397 20 0 EGADRP C[C@H]1[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423427069 309399855 /nfs/dbraw/zinc/39/98/55/309399855.db2.gz FQKSXZQNHPTMIJ-LRGNLBRXSA-N 2 0 327.516 3.017 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423463135 309401105 /nfs/dbraw/zinc/40/11/05/309401105.db2.gz UZRFNPGPNAKMOT-RISCZKNCSA-N 2 0 327.266 3.380 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000423494465 309402968 /nfs/dbraw/zinc/40/29/68/309402968.db2.gz SDCIVMCDQDLTNQ-BPYAMOTFSA-N 2 0 327.241 3.293 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423544212 309405722 /nfs/dbraw/zinc/40/57/22/309405722.db2.gz WDCXJGNTPQMPLT-QGZVFWFLSA-N 2 0 330.863 3.062 20 0 EGADRP Cn1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccc(Cl)cc2)n1 ZINC000423543077 309405820 /nfs/dbraw/zinc/40/58/20/309405820.db2.gz MTXVUZZPKGNDDJ-LORHWOILSA-N 2 0 344.890 3.141 20 0 EGADRP [NH3+]C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000423768618 309411905 /nfs/dbraw/zinc/41/19/05/309411905.db2.gz FIGBQABMFBMPEA-FQEVSTJZSA-N 2 0 337.467 3.006 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000423777380 309412153 /nfs/dbraw/zinc/41/21/53/309412153.db2.gz BVAUAXLFEKMIJP-DNVCBOLYSA-N 2 0 325.456 3.331 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000423844111 309416100 /nfs/dbraw/zinc/41/61/00/309416100.db2.gz LNBDEJVUHLAQBA-AZUAARDMSA-N 2 0 343.515 3.417 20 0 EGADRP CCC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000424017754 309425589 /nfs/dbraw/zinc/42/55/89/309425589.db2.gz HGGDEAFKMDLHSV-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP [NH3+]C[C@@H](CN1CC[NH2+]C[C@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000424307987 309437769 /nfs/dbraw/zinc/43/77/69/309437769.db2.gz YZRZWDLPGTZEPG-KXBFYZLASA-N 2 0 347.865 3.168 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000424318719 309438508 /nfs/dbraw/zinc/43/85/08/309438508.db2.gz RQOFBQNNSNBCPG-UHFFFAOYSA-N 2 0 344.499 3.350 20 0 EGADRP CC(C)c1ccc(CC[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000424373488 309440721 /nfs/dbraw/zinc/44/07/21/309440721.db2.gz HCMIVLOPYFOXLP-UHFFFAOYSA-N 2 0 338.499 3.489 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000431179239 309627324 /nfs/dbraw/zinc/62/73/24/309627324.db2.gz MVGZNCLNJMXQCI-FUHWJXTLSA-N 2 0 340.471 3.392 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC000436284936 309751805 /nfs/dbraw/zinc/75/18/05/309751805.db2.gz NCDAJKXEQZTVRF-PXNSSMCTSA-N 2 0 329.532 3.316 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000438562504 309817240 /nfs/dbraw/zinc/81/72/40/309817240.db2.gz PSECRYYVSDRBNA-SFHVURJKSA-N 2 0 331.504 3.012 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCOCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000447591851 309983587 /nfs/dbraw/zinc/98/35/87/309983587.db2.gz FUNRHQXNJSRMOL-FQEVSTJZSA-N 2 0 346.446 3.092 20 0 EGADRP c1cc2cccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)c2o1 ZINC000449017550 310029215 /nfs/dbraw/zinc/02/92/15/310029215.db2.gz KHMBDOOETBEXNF-UHFFFAOYSA-N 2 0 328.456 3.367 20 0 EGADRP C[C@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000449031674 310031247 /nfs/dbraw/zinc/03/12/47/310031247.db2.gz XMWHCIXZFJTYIM-CQSZACIVSA-N 2 0 326.431 3.111 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)cc(OC)c2)CC1 ZINC000449038644 310032085 /nfs/dbraw/zinc/03/20/85/310032085.db2.gz WJYGBBRGWRSPFD-UHFFFAOYSA-N 2 0 338.467 3.157 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCC4)cc2)CC1 ZINC000449060504 310033842 /nfs/dbraw/zinc/03/38/42/310033842.db2.gz SMMRARZJRIMSCW-HXUWFJFHSA-N 2 0 328.500 3.456 20 0 EGADRP Cc1cccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1F ZINC000449084777 310035913 /nfs/dbraw/zinc/03/59/13/310035913.db2.gz YSGCRQQNFJFKGQ-UHFFFAOYSA-N 2 0 341.474 3.171 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000449131501 310039272 /nfs/dbraw/zinc/03/92/72/310039272.db2.gz NAVGZCIVHAVPDP-IBGZPJMESA-N 2 0 347.547 3.085 20 0 EGADRP C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000449145187 310040245 /nfs/dbraw/zinc/04/02/45/310040245.db2.gz KTSOIHWHPKWGIR-VQIMIIECSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449163961 310041496 /nfs/dbraw/zinc/04/14/96/310041496.db2.gz XMBGKLCZZZZRIA-SJORKVTESA-N 2 0 342.483 3.454 20 0 EGADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000449222799 310045798 /nfs/dbraw/zinc/04/57/98/310045798.db2.gz IQMLEBPIBWUNOV-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000449314164 310052670 /nfs/dbraw/zinc/05/26/70/310052670.db2.gz QISBXVDPDVIMDH-MJGOQNOKSA-N 2 0 349.563 3.312 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc3ccoc32)CCN1C1CC[NH+](C)CC1 ZINC000449325869 310053454 /nfs/dbraw/zinc/05/34/54/310053454.db2.gz QBXUTSLMPSAZNM-MRXNPFEDSA-N 2 0 327.472 3.033 20 0 EGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1n1cccn1 ZINC000449661052 310078496 /nfs/dbraw/zinc/07/84/96/310078496.db2.gz YYCYHSKHQVYYMI-KZNAEPCWSA-N 2 0 348.535 3.233 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000449744538 310083896 /nfs/dbraw/zinc/08/38/96/310083896.db2.gz HWMKTUCYOJTQNS-UHFFFAOYSA-N 2 0 325.447 3.130 20 0 EGADRP CCCCOc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000449749153 310084268 /nfs/dbraw/zinc/08/42/68/310084268.db2.gz DZWZBNVZXSUPCG-UHFFFAOYSA-N 2 0 347.547 3.371 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000450370498 310118564 /nfs/dbraw/zinc/11/85/64/310118564.db2.gz YTUMMAGSOPNIOC-GOSISDBHSA-N 2 0 339.483 3.346 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453070162 310255830 /nfs/dbraw/zinc/25/58/30/310255830.db2.gz MSBYHFVWGWJFAC-XRXFAXGQSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CCO)C(C)(C)C)CC1 ZINC000453193878 310263375 /nfs/dbraw/zinc/26/33/75/310263375.db2.gz NFLUDZBAGVTBOM-PXNSSMCTSA-N 2 0 332.532 3.469 20 0 EGADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453274657 310268738 /nfs/dbraw/zinc/26/87/38/310268738.db2.gz KQYAQTVZQNFHRD-GFOJFJKKSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2[nH]c(=O)oc2c1 ZINC000453350824 310272474 /nfs/dbraw/zinc/27/24/74/310272474.db2.gz MDWZDWNNJDVTBC-KRWWSPQJSA-N 2 0 329.444 3.445 20 0 EGADRP C[C@@H](c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453390975 310274340 /nfs/dbraw/zinc/27/43/40/310274340.db2.gz XSTSANUXZZTRHO-PXNSSMCTSA-N 2 0 332.488 3.191 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)nnn1-c1ccc(C)cc1 ZINC000453404802 310275106 /nfs/dbraw/zinc/27/51/06/310275106.db2.gz PYIMSGYSRFAMSZ-INIZCTEOSA-N 2 0 341.503 3.409 20 0 EGADRP Cc1ccc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000453424034 310276481 /nfs/dbraw/zinc/27/64/81/310276481.db2.gz MXHOEUKEWFZXHL-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP C[N@H+](CCCC[NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000453597988 310283465 /nfs/dbraw/zinc/28/34/65/310283465.db2.gz OXGJLMIVLSJYJK-UHFFFAOYSA-N 2 0 326.444 3.233 20 0 EGADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(Br)c1 ZINC000453601683 310283691 /nfs/dbraw/zinc/28/36/91/310283691.db2.gz VENOLAUICQBRPB-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC3(C)CC[NH+](C)CC3)ccc21 ZINC000455864535 310380088 /nfs/dbraw/zinc/38/00/88/310380088.db2.gz TUXMLCPCSVAMPU-SFHVURJKSA-N 2 0 344.503 3.089 20 0 EGADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000455901725 310381753 /nfs/dbraw/zinc/38/17/53/310381753.db2.gz GDLKGMQAMANSIB-KBXCAEBGSA-N 2 0 346.519 3.333 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCC3CC[NH+](C)CC3)ccc21 ZINC000455937364 310382778 /nfs/dbraw/zinc/38/27/78/310382778.db2.gz SHWGUWUMWTUMRE-LJQANCHMSA-N 2 0 344.503 3.089 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000480071212 310888913 /nfs/dbraw/zinc/88/89/13/310888913.db2.gz QEESVVNVZCBMOJ-INIZCTEOSA-N 2 0 325.541 3.314 20 0 EGADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000486938617 311002853 /nfs/dbraw/zinc/00/28/53/311002853.db2.gz MSPCFWAHVAHADZ-HZPDHXFCSA-N 2 0 338.467 3.203 20 0 EGADRP CC[N@H+](CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000488365410 311062542 /nfs/dbraw/zinc/06/25/42/311062542.db2.gz XHVIHAKUVVQJTQ-QGZVFWFLSA-N 2 0 343.515 3.251 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490993542 311160226 /nfs/dbraw/zinc/16/02/26/311160226.db2.gz HKCXWRSFPURPHJ-GPMSIDNRSA-N 2 0 335.923 3.359 20 0 EGADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000491029608 311161612 /nfs/dbraw/zinc/16/16/12/311161612.db2.gz IXBJADFUGRGHPG-IBGZPJMESA-N 2 0 345.462 3.445 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494880909 311519939 /nfs/dbraw/zinc/51/99/39/311519939.db2.gz UMZFFLBYQIVFEI-MRXNPFEDSA-N 2 0 339.483 3.301 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000496683886 311749346 /nfs/dbraw/zinc/74/93/46/311749346.db2.gz QECLQJDTVYETFS-OAHLLOKOSA-N 2 0 339.524 3.286 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000508553575 312096901 /nfs/dbraw/zinc/09/69/01/312096901.db2.gz AQQLCLYTWXFCIB-UHFFFAOYSA-N 2 0 340.556 3.011 20 0 EGADRP C[C@@H](NCC1([NH+](C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690872 312099864 /nfs/dbraw/zinc/09/98/64/312099864.db2.gz LCAVAVSMXHOHOM-QUCCMNQESA-N 3 0 329.532 3.361 20 0 EGADRP C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700770 312100328 /nfs/dbraw/zinc/10/03/28/312100328.db2.gz UZWCGCSTTOIYMZ-CTNGQTDRSA-N 2 0 329.532 3.363 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOCC4CC4)[C@@H]3C2)cc1 ZINC000512643732 312190927 /nfs/dbraw/zinc/19/09/27/312190927.db2.gz XYZYBEKFMRNBRD-HBMCJLEFSA-N 2 0 328.500 3.303 20 0 EGADRP Cc1n[nH]c(C)c1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513495479 312211504 /nfs/dbraw/zinc/21/15/04/312211504.db2.gz QFXSZZXFGXDXMK-KXBFYZLASA-N 2 0 326.488 3.417 20 0 EGADRP CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513673736 312215343 /nfs/dbraw/zinc/21/53/43/312215343.db2.gz WLMYJJPPBSHBTI-XSDIEEQYSA-N 2 0 330.516 3.428 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000515060297 312263309 /nfs/dbraw/zinc/26/33/09/312263309.db2.gz FZQAMIVPRCXBFP-OAQYLSRUSA-N 2 0 349.478 3.150 20 0 EGADRP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@H]([NH3+])c4ccccc43)cn2)C[C@@H](C)O1 ZINC000515346325 312277785 /nfs/dbraw/zinc/27/77/85/312277785.db2.gz GVWBHRHQRRXZIR-TUFGIGEDSA-N 2 0 338.455 3.252 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccccc2Cn2ccnc2)CC1 ZINC000516686567 312337264 /nfs/dbraw/zinc/33/72/64/312337264.db2.gz CKHAOHSYSPYKQZ-UHFFFAOYSA-N 2 0 326.488 3.284 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)ccc2Br)CC1 ZINC000087789431 454089353 /nfs/dbraw/zinc/08/93/53/454089353.db2.gz AJPCMXSSZWDZJB-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP CC(C)[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCCn1ccnc1 ZINC000528612900 313129255 /nfs/dbraw/zinc/12/92/55/313129255.db2.gz XJPBVCSIQKXVJJ-HXUWFJFHSA-N 2 0 326.488 3.116 20 0 EGADRP CCn1cncc1CN1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000529639305 313376243 /nfs/dbraw/zinc/37/62/43/313376243.db2.gz ARFGEVQKFKNHHO-HXUWFJFHSA-N 2 0 326.488 3.245 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000537919038 314216792 /nfs/dbraw/zinc/21/67/92/314216792.db2.gz CGYOYHVNNZJCSJ-SJLPKXTDSA-N 2 0 344.499 3.199 20 0 EGADRP CC(C)CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000538412540 314245917 /nfs/dbraw/zinc/24/59/17/314245917.db2.gz GBRVKNYAGRGCRW-UHFFFAOYSA-N 2 0 348.531 3.436 20 0 EGADRP CC[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000538724167 314270027 /nfs/dbraw/zinc/27/00/27/314270027.db2.gz WINMXIRCXWMMED-QKNQBKEWSA-N 2 0 329.532 3.138 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000539405299 314312031 /nfs/dbraw/zinc/31/20/31/314312031.db2.gz SSVDIAAQWXKVFE-GFOJFJKKSA-N 2 0 330.516 3.439 20 0 EGADRP CCC[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000540520179 314386686 /nfs/dbraw/zinc/38/66/86/314386686.db2.gz OGOLDVWBGJMKCY-RTWAWAEBSA-N 2 0 329.532 3.457 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000545980966 314800018 /nfs/dbraw/zinc/80/00/18/314800018.db2.gz TUYNIEMYNWOTQQ-WOJBJXKFSA-N 2 0 344.547 3.033 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000550148048 315118357 /nfs/dbraw/zinc/11/83/57/315118357.db2.gz KRYHLRYXBOTTOM-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000550328072 315125109 /nfs/dbraw/zinc/12/51/09/315125109.db2.gz KZXCHOMMOWOTEA-GOSISDBHSA-N 2 0 348.531 3.250 20 0 EGADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552046588 315192657 /nfs/dbraw/zinc/19/26/57/315192657.db2.gz LSCQLAXDPHLJCV-PLACYPQZSA-N 2 0 330.516 3.284 20 0 EGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554049780 315295428 /nfs/dbraw/zinc/29/54/28/315295428.db2.gz BRWGABWBATXZTA-FGZHOGPDSA-N 2 0 341.543 3.363 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554346935 315311458 /nfs/dbraw/zinc/31/14/58/315311458.db2.gz KMRRGSZMHVBXTF-XUWVNRHRSA-N 2 0 336.442 3.444 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CCC12CCOCC2)N1CCc2ccccc2C1 ZINC000554560882 315332427 /nfs/dbraw/zinc/33/24/27/315332427.db2.gz IQKAOCSRBIHCJH-WOJBJXKFSA-N 2 0 328.500 3.372 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555548576 315389587 /nfs/dbraw/zinc/38/95/87/315389587.db2.gz AKXCBDDOGYOGSB-UKRRQHHQSA-N 2 0 337.305 3.238 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000556090412 315415179 /nfs/dbraw/zinc/41/51/79/315415179.db2.gz ZLIGSANDNSLVIK-UHFFFAOYSA-N 2 0 341.902 3.029 20 0 EGADRP CN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C[NH+]1CCCC1 ZINC000561093727 315740069 /nfs/dbraw/zinc/74/00/69/315740069.db2.gz NUZSITTUCJJHMZ-GOSISDBHSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000563842175 316077332 /nfs/dbraw/zinc/07/73/32/316077332.db2.gz OJXJKTYWVJWMJE-ACRUOGEOSA-N 2 0 330.516 3.237 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000563898700 316087986 /nfs/dbraw/zinc/08/79/86/316087986.db2.gz OXBZBJLMFJWHQB-HBFSDRIKSA-N 2 0 331.504 3.082 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459659 316155709 /nfs/dbraw/zinc/15/57/09/316155709.db2.gz LVBSBGUUTNKGSX-NSHGMRRFSA-N 2 0 345.531 3.285 20 0 EGADRP Cc1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)ccc1C[NH+](C)C ZINC000564470655 316157533 /nfs/dbraw/zinc/15/75/33/316157533.db2.gz LTRDTYLIVDMDRU-UHFFFAOYSA-N 2 0 339.483 3.413 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000567029110 316558534 /nfs/dbraw/zinc/55/85/34/316558534.db2.gz BTJVXNMIFGZNBX-DLBZAZTESA-N 2 0 335.517 3.129 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000567557790 316633394 /nfs/dbraw/zinc/63/33/94/316633394.db2.gz OBJAGOYPLDRSIN-INIZCTEOSA-N 2 0 341.503 3.267 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567890099 316689245 /nfs/dbraw/zinc/68/92/45/316689245.db2.gz LPKDDHLJMLUYAF-HOCLYGCPSA-N 2 0 349.906 3.297 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000570161341 317016316 /nfs/dbraw/zinc/01/63/16/317016316.db2.gz JIXYAVWMBLHESZ-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000570441875 317055762 /nfs/dbraw/zinc/05/57/62/317055762.db2.gz ACCZUXQYHKSQJX-NEWSRXKRSA-N 2 0 332.463 3.068 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(CC[NH3+])CC1 ZINC000570521722 317068386 /nfs/dbraw/zinc/06/83/86/317068386.db2.gz YNGKQIWTIWPMIK-HNNXBMFYSA-N 2 0 325.456 3.228 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000570678695 317092894 /nfs/dbraw/zinc/09/28/94/317092894.db2.gz FHVMHHVQUVOZNJ-CEXWTWQISA-N 2 0 335.536 3.009 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000571391503 317192073 /nfs/dbraw/zinc/19/20/73/317192073.db2.gz PBYBSUQAEAOJIT-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP OC[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC1CCCC1 ZINC000571632493 317225976 /nfs/dbraw/zinc/22/59/76/317225976.db2.gz LAOKCHNAUDVMFF-HFSMHLIXSA-N 2 0 344.499 3.021 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000571642735 317227422 /nfs/dbraw/zinc/22/74/22/317227422.db2.gz RYIJJJHTUUVISY-VXGBXAGGSA-N 2 0 329.282 3.453 20 0 EGADRP c1ccc(-c2n[nH]c(C3CC[NH+](CC[C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000571866680 317258649 /nfs/dbraw/zinc/25/86/49/317258649.db2.gz KACVBRLVCOWXEH-INIZCTEOSA-N 2 0 339.487 3.041 20 0 EGADRP CCc1ccc(-c2noc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000571992474 317275917 /nfs/dbraw/zinc/27/59/17/317275917.db2.gz CLKFRXHKDDXFNK-HNNXBMFYSA-N 2 0 340.471 3.263 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000572464218 317342047 /nfs/dbraw/zinc/34/20/47/317342047.db2.gz OOYDLNJTWMANHJ-JOIKAWEESA-N 2 0 337.467 3.266 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000572690107 317374742 /nfs/dbraw/zinc/37/47/42/317374742.db2.gz KYENLWIVXAYLBT-SJLPKXTDSA-N 2 0 330.520 3.443 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000573361353 317474733 /nfs/dbraw/zinc/47/47/33/317474733.db2.gz XQEAVDIPCHXSFB-FQEVSTJZSA-N 2 0 340.515 3.163 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000574912288 317650780 /nfs/dbraw/zinc/65/07/80/317650780.db2.gz XCZNZEDKBFSFEB-UHFFFAOYSA-N 2 0 337.895 3.380 20 0 EGADRP C[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000262449842 456037230 /nfs/dbraw/zinc/03/72/30/456037230.db2.gz HSFPDOUXNXQPSX-NWDGAFQWSA-N 2 0 344.286 3.239 20 0 EGADRP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C2)[nH+]1 ZINC000171649177 323244834 /nfs/dbraw/zinc/24/48/34/323244834.db2.gz MHXCLPHRWMDKDI-GOSISDBHSA-N 2 0 346.519 3.017 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000174046991 323301030 /nfs/dbraw/zinc/30/10/30/323301030.db2.gz SVHRKSRRNSVCFJ-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(F)cc3cccnc32)C[C@H](C)O1 ZINC000177749815 323345171 /nfs/dbraw/zinc/34/51/71/323345171.db2.gz ICYYRKSFMBNZEM-HOTGVXAUSA-N 2 0 345.462 3.353 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379676221 324241982 /nfs/dbraw/zinc/24/19/82/324241982.db2.gz YWEYUNKLCLJVGH-QXAKKESOSA-N 2 0 345.531 3.180 20 0 EGADRP C[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382720139 324252733 /nfs/dbraw/zinc/25/27/33/324252733.db2.gz LICUSGFVNVATTD-MISYRCLQSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386401417 324267948 /nfs/dbraw/zinc/26/79/48/324267948.db2.gz HBPIKUBYRFZDHE-HOTGVXAUSA-N 2 0 327.513 3.096 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1Br ZINC000388769632 324276782 /nfs/dbraw/zinc/27/67/82/324276782.db2.gz OWRFGHAVVQOIAW-NWDGAFQWSA-N 2 0 329.282 3.306 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)C1 ZINC000578143688 324926551 /nfs/dbraw/zinc/92/65/51/324926551.db2.gz YRJRFKJMIXSKAE-ROUUACIJSA-N 2 0 341.430 3.438 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000579255111 325086286 /nfs/dbraw/zinc/08/62/86/325086286.db2.gz NRSQXPRTLDCBEJ-VQTJNVASSA-N 2 0 346.515 3.072 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000579343642 325096681 /nfs/dbraw/zinc/09/66/81/325096681.db2.gz GGZYFLJUEGFQBF-FQEVSTJZSA-N 2 0 348.531 3.145 20 0 EGADRP CCC(CC)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579407928 325104185 /nfs/dbraw/zinc/10/41/85/325104185.db2.gz RBUMKANDPOSYDG-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2ccc(Br)cc2F)C1 ZINC000579613800 325136420 /nfs/dbraw/zinc/13/64/20/325136420.db2.gz DIGUMLPZLRXBJB-UONOGXRCSA-N 2 0 329.257 3.380 20 0 EGADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1F ZINC000579717574 325150109 /nfs/dbraw/zinc/15/01/09/325150109.db2.gz DHJDPMSXZPBTSN-LSDHHAIUSA-N 2 0 347.409 3.441 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000579822833 325163342 /nfs/dbraw/zinc/16/33/42/325163342.db2.gz ZTRJTJYVDKMEIN-IMJJTQAJSA-N 2 0 337.533 3.075 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC1CCCC1 ZINC000580049631 325195758 /nfs/dbraw/zinc/19/57/58/325195758.db2.gz GRLOPKOAINWSHR-DOTOQJQBSA-N 2 0 332.488 3.494 20 0 EGADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879865 325395550 /nfs/dbraw/zinc/39/55/50/325395550.db2.gz CRLMEZSQIPFYEH-KVSKMBFKSA-N 2 0 336.907 3.411 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000583018837 325488395 /nfs/dbraw/zinc/48/83/95/325488395.db2.gz GKZRCVAIPQADHW-JXFKEZNVSA-N 2 0 337.467 3.417 20 0 EGADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000583316440 325513479 /nfs/dbraw/zinc/51/34/79/325513479.db2.gz DVBVSPFTNZCCCS-MJVIPROJSA-N 2 0 332.414 3.101 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000237898638 455230587 /nfs/dbraw/zinc/23/05/87/455230587.db2.gz YIVTVXXBYGLEEO-FXAWDEMLSA-N 2 0 343.515 3.196 20 0 EGADRP O=C(CCC1CC[NH2+]CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000237952746 455237514 /nfs/dbraw/zinc/23/75/14/455237514.db2.gz DGPPULCHGICDKQ-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000238016428 455245036 /nfs/dbraw/zinc/24/50/36/455245036.db2.gz YIVTVXXBYGLEEO-XLIONFOSSA-N 2 0 343.515 3.196 20 0 EGADRP [NH3+]CCCN(c1cccc(F)c1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000183219228 455253880 /nfs/dbraw/zinc/25/38/80/455253880.db2.gz PLIDBCNQOPSAOI-UHFFFAOYSA-N 2 0 342.462 3.041 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(CO)cc1 ZINC000189961139 455261680 /nfs/dbraw/zinc/26/16/80/455261680.db2.gz FMSHFACXODWZNW-ROUUACIJSA-N 2 0 338.495 3.425 20 0 EGADRP C[N@H+](CCOCC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174399058 455387175 /nfs/dbraw/zinc/38/71/75/455387175.db2.gz PMUWEHZAWABWSJ-MRXNPFEDSA-N 2 0 330.394 3.019 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000067507181 453936674 /nfs/dbraw/zinc/93/66/74/453936674.db2.gz DGBZSKYIJPYHOK-LJQANCHMSA-N 2 0 339.483 3.481 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000075957940 453942760 /nfs/dbraw/zinc/94/27/60/453942760.db2.gz MILAWAOMYIOQFP-IBGZPJMESA-N 2 0 344.503 3.230 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000077318806 454090270 /nfs/dbraw/zinc/09/02/70/454090270.db2.gz ZOYDSOAITVHHIF-QZTJIDSGSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cccc(O)c2)C[C@H](C)O1 ZINC000069833278 454151392 /nfs/dbraw/zinc/15/13/92/454151392.db2.gz AKEYABJTUXMBED-IRXDYDNUSA-N 2 0 340.467 3.291 20 0 EGADRP O=C(NCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000089641362 454173018 /nfs/dbraw/zinc/17/30/18/454173018.db2.gz ZMTBKFKMYXOHHE-UHFFFAOYSA-N 2 0 349.544 3.255 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)CC1 ZINC000130917730 454225545 /nfs/dbraw/zinc/22/55/45/454225545.db2.gz ZAFWILXHAQNSRL-FQEVSTJZSA-N 2 0 343.515 3.123 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000120002835 454246067 /nfs/dbraw/zinc/24/60/67/454246067.db2.gz ZTGNKTGXLZNURJ-DVOMOZLQSA-N 2 0 330.394 3.446 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000090038655 454265498 /nfs/dbraw/zinc/26/54/98/454265498.db2.gz DKPYKOZTSRHAAH-HXUWFJFHSA-N 2 0 339.483 3.219 20 0 EGADRP CC(C)c1ccccc1NC(=O)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000131903959 454296617 /nfs/dbraw/zinc/29/66/17/454296617.db2.gz WJQYQIVAAFBLKI-QGZVFWFLSA-N 2 0 339.439 3.297 20 0 EGADRP Cc1cc2ncc([C@H](C)NCCC[NH+]3CCC(C)CC3)c(C)n2n1 ZINC000120574997 454320963 /nfs/dbraw/zinc/32/09/63/454320963.db2.gz YQNZWRKIKUSIEU-INIZCTEOSA-N 2 0 329.492 3.119 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)N1CC[NH+](C)CC1 ZINC000132454527 454340714 /nfs/dbraw/zinc/34/07/14/454340714.db2.gz IXJLNQYSPJEYSH-ROUUACIJSA-N 2 0 333.520 3.155 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090936911 454351171 /nfs/dbraw/zinc/35/11/71/454351171.db2.gz LJDKFODUJBFBDA-FOIQADDNSA-N 2 0 325.456 3.045 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000090936465 454351413 /nfs/dbraw/zinc/35/14/13/454351413.db2.gz LHBASTMFKNJRCY-RYQLBKOJSA-N 2 0 332.488 3.099 20 0 EGADRP CC(C)C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000090937210 454353281 /nfs/dbraw/zinc/35/32/81/454353281.db2.gz DPTQLUGTGJFYBV-IBGZPJMESA-N 2 0 342.487 3.294 20 0 EGADRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000121139843 454396971 /nfs/dbraw/zinc/39/69/71/454396971.db2.gz OAUUKDGQKPTXEF-WIYYLYMNSA-N 2 0 347.547 3.400 20 0 EGADRP C[C@H](NCC[N@H+](C)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133198929 454400993 /nfs/dbraw/zinc/40/09/93/454400993.db2.gz HTTFGCXRYFWVKY-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000121165957 454401376 /nfs/dbraw/zinc/40/13/76/454401376.db2.gz OFKZQCVCWHOJHS-UONOGXRCSA-N 2 0 329.941 3.326 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000121183756 454403611 /nfs/dbraw/zinc/40/36/11/454403611.db2.gz UEUSXYKLVHJAMD-HNAYVOBHSA-N 2 0 339.474 3.279 20 0 EGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000073290751 454416853 /nfs/dbraw/zinc/41/68/53/454416853.db2.gz KSIYVKZOUYTGAT-IBGZPJMESA-N 2 0 336.439 3.136 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000091306344 454424478 /nfs/dbraw/zinc/42/44/78/454424478.db2.gz FUXSTGNRPOKYRX-IAGOWNOFSA-N 2 0 344.421 3.449 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000063756102 454446143 /nfs/dbraw/zinc/44/61/43/454446143.db2.gz GDHYLLHLYBQINE-QGZVFWFLSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563723 454498581 /nfs/dbraw/zinc/49/85/81/454498581.db2.gz LENWBPMRBILNBD-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000074337171 454567257 /nfs/dbraw/zinc/56/72/57/454567257.db2.gz DCZFRRJOUHOIBC-UHFFFAOYSA-N 2 0 345.462 3.201 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000092487283 454574045 /nfs/dbraw/zinc/57/40/45/454574045.db2.gz PICGCFLWGCWEEL-FXAWDEMLSA-N 2 0 345.531 3.216 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000122914026 454580955 /nfs/dbraw/zinc/58/09/55/454580955.db2.gz BEDGRBDOIWEWIZ-FUHIMQAGSA-N 2 0 334.504 3.050 20 0 EGADRP COc1ccccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587447 454590475 /nfs/dbraw/zinc/59/04/75/454590475.db2.gz CPIUZADUMIRWCU-IAGOWNOFSA-N 2 0 332.488 3.016 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CCC(N)=O)C1 ZINC000092660430 454603887 /nfs/dbraw/zinc/60/38/87/454603887.db2.gz SFKODLCIZZLZBV-IBGZPJMESA-N 2 0 345.531 3.122 20 0 EGADRP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123462458 454640463 /nfs/dbraw/zinc/64/04/63/454640463.db2.gz LNJNZBQBWXLBLR-OKZBNKHCSA-N 2 0 337.552 3.218 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000152654625 454707120 /nfs/dbraw/zinc/70/71/20/454707120.db2.gz SXRAPJNJHKVVDK-OGHNNQOOSA-N 2 0 337.895 3.295 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)s1 ZINC000124368296 454724574 /nfs/dbraw/zinc/72/45/74/454724574.db2.gz WJROCKBUCVEXMC-ZDUSSCGKSA-N 2 0 329.941 3.326 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635013588 460655240 /nfs/dbraw/zinc/65/52/40/460655240.db2.gz ZMNRCPIHEQKIGO-DFQSSKMNSA-N 3 0 329.532 3.265 20 0 EGADRP COC(=O)c1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c[nH]1 ZINC000093844572 454739529 /nfs/dbraw/zinc/73/95/29/454739529.db2.gz GKHVBSGQLOVZLD-MRXNPFEDSA-N 2 0 347.503 3.278 20 0 EGADRP CCOc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124510641 454743053 /nfs/dbraw/zinc/74/30/53/454743053.db2.gz JAARRBXQTJTPEC-KRWDZBQOSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1nccc2ccccc21 ZINC000635008481 460652400 /nfs/dbraw/zinc/65/24/00/460652400.db2.gz DZADVDASNBBHFW-HNNXBMFYSA-N 2 0 333.439 3.213 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000153044203 454755506 /nfs/dbraw/zinc/75/55/06/454755506.db2.gz MYSJWXPYFUVQEZ-CVEARBPZSA-N 2 0 339.524 3.144 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2OCC)CC1 ZINC000137302648 454775441 /nfs/dbraw/zinc/77/54/41/454775441.db2.gz WRONXXJCKSGWIZ-UHFFFAOYSA-N 2 0 347.503 3.220 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCO2 ZINC000162537200 454781831 /nfs/dbraw/zinc/78/18/31/454781831.db2.gz QWGCFMNSTXHJAY-HNNXBMFYSA-N 2 0 342.439 3.207 20 0 EGADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000108376870 454795627 /nfs/dbraw/zinc/79/56/27/454795627.db2.gz JBHIMWICCLMMMD-VVWQDTPRSA-N 2 0 334.504 3.337 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125288942 454811777 /nfs/dbraw/zinc/81/17/77/454811777.db2.gz PVCLGHPAFWEFFD-KRWDZBQOSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713807 454823669 /nfs/dbraw/zinc/82/36/69/454823669.db2.gz CISTVZYITFGOPD-MJGOQNOKSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000126011423 454863642 /nfs/dbraw/zinc/86/36/42/454863642.db2.gz NPBVDPSGUWROTM-QAPCUYQASA-N 2 0 329.492 3.284 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000164559760 454883838 /nfs/dbraw/zinc/88/38/38/454883838.db2.gz KVBVHURTMPAFGU-QZTJIDSGSA-N 2 0 329.488 3.375 20 0 EGADRP C[N@@H+](Cc1ccc(Br)c(F)c1)CC1CC[NH+](C)CC1 ZINC000177707110 454894477 /nfs/dbraw/zinc/89/44/77/454894477.db2.gz MAUNOECQEIHFTC-UHFFFAOYSA-N 2 0 329.257 3.362 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000177838005 454912360 /nfs/dbraw/zinc/91/23/60/454912360.db2.gz FILFSDYBMQZJOK-RKVPGOIHSA-N 2 0 341.455 3.350 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150985370 454922339 /nfs/dbraw/zinc/92/23/39/454922339.db2.gz QSVNUFYANJDDJA-QGZVFWFLSA-N 2 0 333.520 3.150 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000127727632 454991432 /nfs/dbraw/zinc/99/14/32/454991432.db2.gz FHZKWCUAPOECCN-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C)c(C)s2)[C@H](C)C1 ZINC000127722184 454991870 /nfs/dbraw/zinc/99/18/70/454991870.db2.gz GJUKNKYSTWPQEV-RHSMWYFYSA-N 2 0 339.549 3.029 20 0 EGADRP COCc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000179208050 455019390 /nfs/dbraw/zinc/01/93/90/455019390.db2.gz OXUXKQHEFSESEF-HDICACEKSA-N 2 0 346.515 3.154 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000155617485 455023052 /nfs/dbraw/zinc/02/30/52/455023052.db2.gz SRPRZTRFVMRBRY-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000155668380 455029463 /nfs/dbraw/zinc/02/94/63/455029463.db2.gz QFEQDIAHEZZUOJ-UONOGXRCSA-N 2 0 327.875 3.156 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000155692522 455032704 /nfs/dbraw/zinc/03/27/04/455032704.db2.gz FUKIPJCJMVDSLI-ZWKOTPCHSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC[NH+]1C ZINC000155766252 455042247 /nfs/dbraw/zinc/04/22/47/455042247.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 3 0 329.532 3.491 20 0 EGADRP C[N@H+](CCOCC(F)(F)F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394679 455043621 /nfs/dbraw/zinc/04/36/21/455043621.db2.gz KBEQAWSUWVOKFE-UHFFFAOYSA-N 2 0 345.409 3.199 20 0 EGADRP C[C@@H]1CC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000128505570 455062616 /nfs/dbraw/zinc/06/26/16/455062616.db2.gz MXJVUDNKDZKNRT-IAGOWNOFSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155991777 455070185 /nfs/dbraw/zinc/07/01/85/455070185.db2.gz MBMCQZDRFAPLEF-SFHVURJKSA-N 2 0 333.520 3.010 20 0 EGADRP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841202 455114449 /nfs/dbraw/zinc/11/44/49/455114449.db2.gz JSXMXCQYIGBPHT-OAHLLOKOSA-N 2 0 330.394 3.401 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000180039830 455121418 /nfs/dbraw/zinc/12/14/18/455121418.db2.gz KHGCHDOLGXGYHF-UHFFFAOYSA-N 2 0 336.524 3.034 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC000172106777 455121935 /nfs/dbraw/zinc/12/19/35/455121935.db2.gz VFLGXAXRLGCEFA-KRWDZBQOSA-N 2 0 334.508 3.236 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180077117 455127950 /nfs/dbraw/zinc/12/79/50/455127950.db2.gz MVHKYFDDXXVVLY-UHFFFAOYSA-N 2 0 337.511 3.392 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnn1C ZINC000180158190 455141571 /nfs/dbraw/zinc/14/15/71/455141571.db2.gz VBLQCBHXVSXCTI-WUHBCXKYSA-N 2 0 338.499 3.290 20 0 EGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000152618984 455143542 /nfs/dbraw/zinc/14/35/42/455143542.db2.gz YTKUMNKQFTXWSP-IEBWSBKVSA-N 2 0 349.563 3.195 20 0 EGADRP C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000156929274 455157191 /nfs/dbraw/zinc/15/71/91/455157191.db2.gz ALVZZKYOLXPTLD-BEFAXECRSA-N 2 0 348.512 3.247 20 0 EGADRP CCCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156924351 455157490 /nfs/dbraw/zinc/15/74/90/455157490.db2.gz CPTCKJCUPFOURV-APWZRJJASA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(O)cc3)cc2)C[C@H](C)O1 ZINC000237634493 455200453 /nfs/dbraw/zinc/20/04/53/455200453.db2.gz SWRIJBHLPBIMNZ-IRXDYDNUSA-N 2 0 340.467 3.291 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000264386402 455202893 /nfs/dbraw/zinc/20/28/93/455202893.db2.gz QMRRKTRQVPWRFH-MRXNPFEDSA-N 2 0 328.456 3.053 20 0 EGADRP C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000237662219 455204490 /nfs/dbraw/zinc/20/44/90/455204490.db2.gz GSGVIOXMDKMFKX-LJQANCHMSA-N 2 0 345.531 3.125 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000264464452 455218529 /nfs/dbraw/zinc/21/85/29/455218529.db2.gz ZFKUEUHQZYMRNO-FQEVSTJZSA-N 2 0 345.531 3.401 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)Cc3ccccc3)CC2)C1 ZINC000158191730 455278677 /nfs/dbraw/zinc/27/86/77/455278677.db2.gz WFTXAZNICODSCC-UIFIKXQLSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183795016 455328904 /nfs/dbraw/zinc/32/89/04/455328904.db2.gz MBVZMWFXZKZROZ-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000159210189 455361167 /nfs/dbraw/zinc/36/11/67/455361167.db2.gz UKNRCWKCWMXMAU-LJQANCHMSA-N 2 0 330.520 3.282 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOC(C)C)CC1 ZINC000181628318 455365155 /nfs/dbraw/zinc/36/51/55/455365155.db2.gz QAICFXWLLWDOAW-INIZCTEOSA-N 2 0 337.483 3.043 20 0 EGADRP CN(c1ccccc1C[N@H+](C)Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000182028922 455419941 /nfs/dbraw/zinc/41/99/41/455419941.db2.gz HBZXPNUDQTZTHD-UHFFFAOYSA-N 2 0 338.499 3.244 20 0 EGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000246194281 455445560 /nfs/dbraw/zinc/44/55/60/455445560.db2.gz LWMURBWDFFTNOM-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000191231701 455468520 /nfs/dbraw/zinc/46/85/20/455468520.db2.gz JZPMPVNIIRGTDD-IXDOHACOSA-N 2 0 336.524 3.312 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000182263111 455475463 /nfs/dbraw/zinc/47/54/63/455475463.db2.gz YXCRNNRIECZAAF-UNMCSNQZSA-N 2 0 336.479 3.339 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cc12 ZINC000185159299 455513103 /nfs/dbraw/zinc/51/31/03/455513103.db2.gz ZSUTUYGBMQMKJT-UHFFFAOYSA-N 2 0 343.519 3.411 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1(C)C ZINC000185210266 455521425 /nfs/dbraw/zinc/52/14/25/455521425.db2.gz MCSRHANEZVJMAB-TVFCKZIOSA-N 2 0 326.525 3.058 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000247019703 455544878 /nfs/dbraw/zinc/54/48/78/455544878.db2.gz MUCRCGFLBBIZLU-LVCYWYKZSA-N 2 0 330.516 3.487 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000247085137 455557938 /nfs/dbraw/zinc/55/79/38/455557938.db2.gz WAOBUVXLJVAVKW-NRSPTQNISA-N 2 0 330.516 3.176 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)OCc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185716794 455604592 /nfs/dbraw/zinc/60/45/92/455604592.db2.gz XLDUBQFHESVQAE-MJGOQNOKSA-N 2 0 344.499 3.363 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000277627627 455618064 /nfs/dbraw/zinc/61/80/64/455618064.db2.gz BXEFSZDCASPPDY-AWEZNQCLSA-N 2 0 330.394 3.296 20 0 EGADRP Cc1ccoc1C[N@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000292289414 455620090 /nfs/dbraw/zinc/62/00/90/455620090.db2.gz MBHANEUBMRGJIQ-INIZCTEOSA-N 2 0 327.428 3.047 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271438605 455636949 /nfs/dbraw/zinc/63/69/49/455636949.db2.gz CCVYWPBUUCYPPE-RZTDZLQYSA-N 2 0 346.490 3.417 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1 ZINC000284108013 455636977 /nfs/dbraw/zinc/63/69/77/455636977.db2.gz NCGGKEYULBMADU-INIZCTEOSA-N 2 0 329.492 3.033 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271438598 455637033 /nfs/dbraw/zinc/63/70/33/455637033.db2.gz CCVYWPBUUCYPPE-AKQDLLBKSA-N 2 0 346.490 3.417 20 0 EGADRP C[C@@H]1COCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000192614140 455654587 /nfs/dbraw/zinc/65/45/87/455654587.db2.gz WHOWRHMNFFDIGG-NQIIRXRSSA-N 2 0 346.515 3.072 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000247981595 455664303 /nfs/dbraw/zinc/66/43/03/455664303.db2.gz MWRLAULIQMHGBW-XWDORNJCSA-N 2 0 347.547 3.396 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000284307335 455665660 /nfs/dbraw/zinc/66/56/60/455665660.db2.gz ZBYXXRJNPTZIJQ-MRXNPFEDSA-N 2 0 329.492 3.032 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000284312973 455666864 /nfs/dbraw/zinc/66/68/64/455666864.db2.gz VVXMFIJANVVHMT-NRFANRHFSA-N 2 0 343.559 3.238 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000247995891 455667479 /nfs/dbraw/zinc/66/74/79/455667479.db2.gz JVWQFCSNZFMYLJ-LMMKCTJWSA-N 2 0 334.504 3.014 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271555451 455683433 /nfs/dbraw/zinc/68/34/33/455683433.db2.gz WPVYSOOVAGCJFN-IIAWOOMASA-N 2 0 330.501 3.066 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC)C23CCC3)[C@@H](C)C1 ZINC000248136841 455687066 /nfs/dbraw/zinc/68/70/66/455687066.db2.gz PDZYZJORDDQKSD-OKYOBFRVSA-N 2 0 338.536 3.061 20 0 EGADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000284467992 455691794 /nfs/dbraw/zinc/69/17/94/455691794.db2.gz VPIFZEFFEJRTTK-INIZCTEOSA-N 2 0 342.487 3.227 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000248221673 455699386 /nfs/dbraw/zinc/69/93/86/455699386.db2.gz OGQKSEAGCNOQAI-YLJYHZDGSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C[C@@H](C)O1 ZINC000248588483 455721035 /nfs/dbraw/zinc/72/10/35/455721035.db2.gz YNXTZQKZJQVIBN-ZHALLVOQSA-N 2 0 338.536 3.155 20 0 EGADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000271717408 455732521 /nfs/dbraw/zinc/73/25/21/455732521.db2.gz NKTGRQSYJBDMOO-MRXNPFEDSA-N 2 0 344.421 3.449 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000268971107 455748832 /nfs/dbraw/zinc/74/88/32/455748832.db2.gz AIZCMVXQSJJKFM-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C2CC2)cc1 ZINC000271791336 455761417 /nfs/dbraw/zinc/76/14/17/455761417.db2.gz WPCUQJMIXNOHJA-NJYVYQBISA-N 2 0 328.500 3.414 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000186570010 455795507 /nfs/dbraw/zinc/79/55/07/455795507.db2.gz JCZACRRRKUKTLH-RTBURBONSA-N 2 0 331.548 3.358 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186604771 455803858 /nfs/dbraw/zinc/80/38/58/455803858.db2.gz RZNQJBALNMCZLI-ROUUACIJSA-N 2 0 333.520 3.150 20 0 EGADRP COC(=O)c1cc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc2o1 ZINC000285543808 455866935 /nfs/dbraw/zinc/86/69/35/455866935.db2.gz QEOFZTCLJDZTMZ-SJPCQFCGSA-N 2 0 342.439 3.276 20 0 EGADRP CC(C)(C)OC(=O)c1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000272179908 455868296 /nfs/dbraw/zinc/86/82/96/455868296.db2.gz SERLPSBRFCLHAT-MRXNPFEDSA-N 2 0 330.472 3.216 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000187135562 455872973 /nfs/dbraw/zinc/87/29/73/455872973.db2.gz YNXTZQKZJQVIBN-SCTDSRPQSA-N 2 0 338.536 3.155 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000285577008 455873868 /nfs/dbraw/zinc/87/38/68/455873868.db2.gz WOZFDLVXBYTDPJ-MRXNPFEDSA-N 2 0 326.488 3.250 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000261605137 455911492 /nfs/dbraw/zinc/91/14/92/455911492.db2.gz AEFAIUQPSDQPQH-OCCSQVGLSA-N 2 0 328.403 3.103 20 0 EGADRP C[C@]1(C[NH3+])CCN(CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000261639095 455918494 /nfs/dbraw/zinc/91/84/94/455918494.db2.gz GAZDIGLXQWMKCS-HXUWFJFHSA-N 2 0 329.488 3.023 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000285808968 455920582 /nfs/dbraw/zinc/92/05/82/455920582.db2.gz VRDKFRVEROZRST-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@@]1(C[NH3+])CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000261650468 455921469 /nfs/dbraw/zinc/92/14/69/455921469.db2.gz DDTHOYQIPSWPOG-INIZCTEOSA-N 2 0 334.261 3.168 20 0 EGADRP Fc1cccc([C@H]2C[NH2+]CCN2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000261732050 455936867 /nfs/dbraw/zinc/93/68/67/455936867.db2.gz LZBGYYMEETYGBU-HXUWFJFHSA-N 2 0 336.414 3.158 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000280308922 455943927 /nfs/dbraw/zinc/94/39/27/455943927.db2.gz PKIJOMRDWVWWHW-PBHICJAKSA-N 2 0 344.421 3.490 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000261801471 455951039 /nfs/dbraw/zinc/95/10/39/455951039.db2.gz QXIQGLJNSKRHCE-PKOBYXMFSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(Cl)c1 ZINC000187863491 455962304 /nfs/dbraw/zinc/96/23/04/455962304.db2.gz MJNKVZGZQRQVDG-INIZCTEOSA-N 2 0 337.939 3.307 20 0 EGADRP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261910006 455968924 /nfs/dbraw/zinc/96/89/24/455968924.db2.gz IVBBIKMTOBKBDK-XKQJLSEDSA-N 2 0 343.298 3.283 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272502913 455972934 /nfs/dbraw/zinc/97/29/34/455972934.db2.gz LNFFQACZUNRIMI-HBFSDRIKSA-N 2 0 326.488 3.162 20 0 EGADRP CCn1nc(C)c(CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000296574188 455977781 /nfs/dbraw/zinc/97/77/81/455977781.db2.gz WJEKHDIUGAZMET-MRXNPFEDSA-N 2 0 341.503 3.271 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000286109598 455979129 /nfs/dbraw/zinc/97/91/29/455979129.db2.gz NALQENRULUDYRT-OAQYLSRUSA-N 2 0 337.467 3.226 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188006937 455979882 /nfs/dbraw/zinc/97/98/82/455979882.db2.gz AKNHZPRLQLIPEZ-SPYBWZPUSA-N 2 0 335.923 3.016 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000272531945 455985340 /nfs/dbraw/zinc/98/53/40/455985340.db2.gz NFKHCBMIVQVLSW-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000262015199 455986384 /nfs/dbraw/zinc/98/63/84/455986384.db2.gz VSOMUAMFYCGSOO-UHFFFAOYSA-N 2 0 348.878 3.254 20 0 EGADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000195599708 455989317 /nfs/dbraw/zinc/98/93/17/455989317.db2.gz SHTYZELDIDDFRZ-RLLQIKCJSA-N 2 0 344.547 3.384 20 0 EGADRP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000280621710 456015306 /nfs/dbraw/zinc/01/53/06/456015306.db2.gz LBLGGSPJURJWJY-SFHVURJKSA-N 2 0 336.483 3.423 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262261767 456018685 /nfs/dbraw/zinc/01/86/85/456018685.db2.gz JMIWCDZNHCEOSY-JKMZYOBQSA-N 2 0 349.563 3.157 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000262310577 456023834 /nfs/dbraw/zinc/02/38/34/456023834.db2.gz YWMRNUFYPMVHIN-HXUWFJFHSA-N 2 0 339.483 3.153 20 0 EGADRP C[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000296856234 456054329 /nfs/dbraw/zinc/05/43/29/456054329.db2.gz OWYCQMMZVNRTBU-GJZGRUSLSA-N 2 0 326.431 3.159 20 0 EGADRP CSc1ccccc1C[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000272892195 456103589 /nfs/dbraw/zinc/10/35/89/456103589.db2.gz STXJWNPZKVOASL-MRXNPFEDSA-N 2 0 336.545 3.164 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCn2cccn2)CC1 ZINC000281015895 456109633 /nfs/dbraw/zinc/10/96/33/456109633.db2.gz NYCDHPPHRQTUAD-UHFFFAOYSA-N 2 0 326.488 3.306 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000236631411 456161198 /nfs/dbraw/zinc/16/11/98/456161198.db2.gz UEIBBWJWCUYMBL-NRFANRHFSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H](O)[C@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000188897456 456164571 /nfs/dbraw/zinc/16/45/71/456164571.db2.gz RMWVDAVUINBDIP-UTKZUKDTSA-N 2 0 332.532 3.469 20 0 EGADRP CC(C)[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236680477 456168330 /nfs/dbraw/zinc/16/83/30/456168330.db2.gz VHZHSJMTAJSGGZ-WOJBJXKFSA-N 2 0 345.531 3.339 20 0 EGADRP Cc1ccc(F)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271220025 456179325 /nfs/dbraw/zinc/17/93/25/456179325.db2.gz OQCFLCYFXZUNHO-UHFFFAOYSA-N 2 0 333.495 3.125 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236774571 456182904 /nfs/dbraw/zinc/18/29/04/456182904.db2.gz VZVQONMQWSNETM-QFBILLFUSA-N 2 0 331.504 3.195 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329122 456186235 /nfs/dbraw/zinc/18/62/35/456186235.db2.gz NUNJQKZXGBVIDL-RDJZCZTQSA-N 2 0 342.430 3.176 20 0 EGADRP COc1cccc(C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000297353744 456196936 /nfs/dbraw/zinc/19/69/36/456196936.db2.gz GFSLHEWUDCCCBO-UHFFFAOYSA-N 2 0 337.467 3.380 20 0 EGADRP FC(F)(F)c1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000297391717 456208295 /nfs/dbraw/zinc/20/82/95/456208295.db2.gz JODZNJRQZUISPJ-UHFFFAOYSA-N 2 0 336.361 3.254 20 0 EGADRP CCc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000301769086 456209966 /nfs/dbraw/zinc/20/99/66/456209966.db2.gz CSMOSIICCODTIB-NRFANRHFSA-N 2 0 340.515 3.481 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000237152469 456238861 /nfs/dbraw/zinc/23/88/61/456238861.db2.gz CAUCERVRCDIREP-NRFANRHFSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000263926787 456266336 /nfs/dbraw/zinc/26/63/36/456266336.db2.gz ZEAYIAZDRYOEPV-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1)C(C)C ZINC000281618051 456276753 /nfs/dbraw/zinc/27/67/53/456276753.db2.gz BVOQPGDTCIBVCX-KRWDZBQOSA-N 2 0 331.504 3.118 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000290265974 456276767 /nfs/dbraw/zinc/27/67/67/456276767.db2.gz XYGXKWLAHOEXMI-AEFFLSMTSA-N 2 0 329.488 3.375 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000290299041 456283744 /nfs/dbraw/zinc/28/37/44/456283744.db2.gz NJYOIKLUVXMGQC-IBGZPJMESA-N 2 0 343.446 3.328 20 0 EGADRP C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297829093 456304180 /nfs/dbraw/zinc/30/41/80/456304180.db2.gz ZNELJZPOLOGQEO-RHSMWYFYSA-N 2 0 331.485 3.214 20 0 EGADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000336865703 456313547 /nfs/dbraw/zinc/31/35/47/456313547.db2.gz FLBLDUFWMOFRDH-CYBMUJFWSA-N 2 0 328.403 3.179 20 0 EGADRP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000290407552 456319833 /nfs/dbraw/zinc/31/98/33/456319833.db2.gz JWNZCRDSDHNVDP-MRXNPFEDSA-N 2 0 331.423 3.349 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302230585 456325061 /nfs/dbraw/zinc/32/50/61/456325061.db2.gz RTOVHWAIWFLCDS-OAHLLOKOSA-N 2 0 338.455 3.025 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000290450356 456331818 /nfs/dbraw/zinc/33/18/18/456331818.db2.gz MILZNRILRPYRRM-OAQYLSRUSA-N 2 0 338.499 3.095 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000275857062 456334326 /nfs/dbraw/zinc/33/43/26/456334326.db2.gz MCVLLGLGBDZZRM-FQEVSTJZSA-N 2 0 341.503 3.039 20 0 EGADRP Cc1nccn1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000297996064 456339659 /nfs/dbraw/zinc/33/96/59/456339659.db2.gz ZFLHXURXWMPOGB-HNNXBMFYSA-N 2 0 326.444 3.205 20 0 EGADRP CCc1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000347870069 456416788 /nfs/dbraw/zinc/41/67/88/456416788.db2.gz FWOCXPKSXKRIGL-QZTJIDSGSA-N 2 0 345.531 3.355 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000282187643 456437484 /nfs/dbraw/zinc/43/74/84/456437484.db2.gz NDXQJTMUZNDHHV-IMFGXOCKSA-N 2 0 331.504 3.402 20 0 EGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC000340433607 456456867 /nfs/dbraw/zinc/45/68/67/456456867.db2.gz FMRQQXFEERCYNF-HUUCEWRRSA-N 2 0 340.895 3.328 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2Cl)CC1(C)C ZINC000282266336 456460742 /nfs/dbraw/zinc/46/07/42/456460742.db2.gz HJEOKNBAJXEORG-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP CCOc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)ccc1O ZINC000298674008 456513743 /nfs/dbraw/zinc/51/37/43/456513743.db2.gz AJFBVMLSIWOCSK-UHFFFAOYSA-N 2 0 344.455 3.021 20 0 EGADRP CC1CC[NH+](CCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000337785369 456543991 /nfs/dbraw/zinc/54/39/91/456543991.db2.gz AZWRBMNNDRLXLD-UHFFFAOYSA-N 2 0 332.517 3.360 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000305503898 456547628 /nfs/dbraw/zinc/54/76/28/456547628.db2.gz LMWZPWSBZNEHHA-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP CSC1(C[NH2+]Cc2ccnn2-c2ccccc2C)CC[NH+](C)CC1 ZINC000353211549 456563959 /nfs/dbraw/zinc/56/39/59/456563959.db2.gz OBACZQVOXRIZEY-UHFFFAOYSA-N 2 0 344.528 3.098 20 0 EGADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310139111 456580436 /nfs/dbraw/zinc/58/04/36/456580436.db2.gz MRIGONYSZPOZEI-VIYGXFRKSA-N 2 0 328.500 3.444 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000311119330 456588278 /nfs/dbraw/zinc/58/82/78/456588278.db2.gz XBOAWEFKUQGHHN-LBPRGKRZSA-N 2 0 329.307 3.429 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000353270123 456601438 /nfs/dbraw/zinc/60/14/38/456601438.db2.gz AYOOWULKMXENOZ-HXUWFJFHSA-N 2 0 345.531 3.033 20 0 EGADRP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1ccccc1 ZINC000282835407 456640800 /nfs/dbraw/zinc/64/08/00/456640800.db2.gz ZPDUYVNVROSHQG-HXUWFJFHSA-N 2 0 347.547 3.112 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000343468604 456642678 /nfs/dbraw/zinc/64/26/78/456642678.db2.gz LUGCRXZQHPIJKR-HSALFYBXSA-N 2 0 345.531 3.243 20 0 EGADRP FCCC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000337997217 456644653 /nfs/dbraw/zinc/64/46/53/456644653.db2.gz LQRKLXRBVYOIBE-AZUAARDMSA-N 2 0 348.510 3.102 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000338106969 456663383 /nfs/dbraw/zinc/66/33/83/456663383.db2.gz ZFUPCMPANSJLLF-QUCCMNQESA-N 2 0 341.499 3.028 20 0 EGADRP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)CC1CC[NH+](C)CC1 ZINC000353414313 456686251 /nfs/dbraw/zinc/68/62/51/456686251.db2.gz ADCVQCIFASMPMI-UHFFFAOYSA-N 2 0 338.879 3.275 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1O ZINC000277140091 456694732 /nfs/dbraw/zinc/69/47/32/456694732.db2.gz CSFRNWSQSYGLJW-OAHLLOKOSA-N 2 0 332.488 3.186 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)Cc2ccccc2C)CC1 ZINC000343577132 456719037 /nfs/dbraw/zinc/71/90/37/456719037.db2.gz ICNYGMJRBLKJKE-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP COCC1(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000291712490 456729796 /nfs/dbraw/zinc/72/97/96/456729796.db2.gz LORPUGRNZDSPEY-ICSRJNTNSA-N 2 0 346.515 3.072 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCn2ccnc2)c2ccccc21 ZINC000283178221 456730119 /nfs/dbraw/zinc/73/01/19/456730119.db2.gz JQZKTWQDVHHVAZ-MSOLQXFVSA-N 2 0 327.428 3.045 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000277240148 456738905 /nfs/dbraw/zinc/73/89/05/456738905.db2.gz MZQOHTJIPBSPCY-AZUAARDMSA-N 2 0 348.556 3.263 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC000283373865 456767108 /nfs/dbraw/zinc/76/71/08/456767108.db2.gz SLMJVOUYOGTBDT-UHFFFAOYSA-N 2 0 329.532 3.196 20 0 EGADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000343723149 456769466 /nfs/dbraw/zinc/76/94/66/456769466.db2.gz MYTPRMHOTCTETO-UTKZUKDTSA-N 2 0 327.516 3.164 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc21 ZINC000283497680 456791889 /nfs/dbraw/zinc/79/18/89/456791889.db2.gz YMGKENDATWLYIC-OALUTQOASA-N 2 0 330.472 3.244 20 0 EGADRP CSC1(C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)CC[NH+](C)CC1 ZINC000353611390 456801942 /nfs/dbraw/zinc/80/19/42/456801942.db2.gz OVRHKIUIOUFOQO-HNNXBMFYSA-N 2 0 346.544 3.301 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)[C@@H](C)C1 ZINC000344186907 456803812 /nfs/dbraw/zinc/80/38/12/456803812.db2.gz FXZMVWHZXQHYOL-RXVVDRJESA-N 2 0 329.532 3.348 20 0 EGADRP Cc1cnc(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)nc1 ZINC000353616946 456806496 /nfs/dbraw/zinc/80/64/96/456806496.db2.gz CDPSHKPFZOLPSL-UHFFFAOYSA-N 2 0 338.499 3.360 20 0 EGADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353616520 456806734 /nfs/dbraw/zinc/80/67/34/456806734.db2.gz AVSSHVYQKVNQPK-HMXCVIKNSA-N 2 0 338.499 3.499 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000292028533 456835134 /nfs/dbraw/zinc/83/51/34/456835134.db2.gz GJRIDUUOZHBADT-HXUWFJFHSA-N 2 0 343.515 3.067 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccnn2-c2ccccc2)CC[NH+](C)CC1 ZINC000353660827 456839053 /nfs/dbraw/zinc/83/90/53/456839053.db2.gz OWQHGPXNMABOCT-MRXNPFEDSA-N 2 0 344.528 3.350 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000338686111 456851471 /nfs/dbraw/zinc/85/14/71/456851471.db2.gz DGPPTMZOSYJNID-FEHORTKBSA-N 2 0 342.483 3.385 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353681944 456852010 /nfs/dbraw/zinc/85/20/10/456852010.db2.gz NANCEESASCYAAJ-FNOBOGDDSA-N 3 0 329.532 3.359 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000349187495 456906284 /nfs/dbraw/zinc/90/62/84/456906284.db2.gz KCNWXVUJNVXQFD-KRWDZBQOSA-N 2 0 332.488 3.176 20 0 EGADRP C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000353885961 456951116 /nfs/dbraw/zinc/95/11/16/456951116.db2.gz UZVCCEQWCVKWMU-BEFAXECRSA-N 2 0 342.487 3.162 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCN1Cc1ccccc1)CC(C)C ZINC000345679577 456987741 /nfs/dbraw/zinc/98/77/41/456987741.db2.gz CUMYWDZMICVKQY-VQTJNVASSA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000354085132 457051500 /nfs/dbraw/zinc/05/15/00/457051500.db2.gz UNEZKPOXGZDFIC-MRXNPFEDSA-N 2 0 342.430 3.221 20 0 EGADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000359206371 457064013 /nfs/dbraw/zinc/06/40/13/457064013.db2.gz HOPCPLJVNACOPX-IAGOWNOFSA-N 2 0 343.298 3.273 20 0 EGADRP Cc1ccccc1-n1cc(C[NH2+]CCCc2nc3ccccc3[nH]2)nn1 ZINC000342027085 457066188 /nfs/dbraw/zinc/06/61/88/457066188.db2.gz PISJGXNJWRLXOR-UHFFFAOYSA-N 2 0 346.438 3.174 20 0 EGADRP CCCOc1c(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000346660023 457098321 /nfs/dbraw/zinc/09/83/21/457098321.db2.gz SDYPPRLRKGNOCZ-UHFFFAOYSA-N 2 0 326.868 3.308 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000342085339 457100146 /nfs/dbraw/zinc/10/01/46/457100146.db2.gz MSBOEWBUSOITRG-UHOFOFEASA-N 2 0 328.378 3.143 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000356761520 457155381 /nfs/dbraw/zinc/15/53/81/457155381.db2.gz ABQVSGFCBOLPHV-MRXNPFEDSA-N 2 0 329.488 3.196 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000362950649 457170583 /nfs/dbraw/zinc/17/05/83/457170583.db2.gz GCQBMVHJCVXYCC-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]21 ZINC000346841850 457181685 /nfs/dbraw/zinc/18/16/85/457181685.db2.gz HMRMZQOLPAKTDN-DUXKGJEZSA-N 2 0 337.467 3.220 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360030983 457214047 /nfs/dbraw/zinc/21/40/47/457214047.db2.gz YKDCKGKHMLJJMO-NUEKZKHPSA-N 2 0 327.472 3.194 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000354444846 457225902 /nfs/dbraw/zinc/22/59/02/457225902.db2.gz YJTBHHCAFNWWDM-ZIFCJYIRSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354502158 457260554 /nfs/dbraw/zinc/26/05/54/457260554.db2.gz QKJNVAXSYDDDJG-CQSZACIVSA-N 2 0 337.895 3.249 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000357021730 457283346 /nfs/dbraw/zinc/28/33/46/457283346.db2.gz ZGIPXDPZQPNBOH-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP COc1cc(C)nc(CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000339832480 457298300 /nfs/dbraw/zinc/29/83/00/457298300.db2.gz BUBWZPBDSFMBQU-UHFFFAOYSA-N 2 0 325.456 3.107 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357108128 457325956 /nfs/dbraw/zinc/32/59/56/457325956.db2.gz SWENUBVLUWAHMU-HOCLYGCPSA-N 2 0 347.528 3.057 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000355409432 457371631 /nfs/dbraw/zinc/37/16/31/457371631.db2.gz IIJGCPUEKBQJAT-HDICACEKSA-N 2 0 343.515 3.162 20 0 EGADRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000357238029 457392688 /nfs/dbraw/zinc/39/26/88/457392688.db2.gz PCENHVGGAITXQL-CQSZACIVSA-N 2 0 341.484 3.326 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000363656425 457399884 /nfs/dbraw/zinc/39/98/84/457399884.db2.gz LUBZUBXCUZTSMF-UXHICEINSA-N 2 0 329.532 3.361 20 0 EGADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000360941841 457449210 /nfs/dbraw/zinc/44/92/10/457449210.db2.gz MNLDJWOKUMGFAD-SFHVURJKSA-N 2 0 344.528 3.396 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000363811683 457451981 /nfs/dbraw/zinc/45/19/81/457451981.db2.gz CSWNTJUAYKLFGL-QZTJIDSGSA-N 2 0 345.531 3.131 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000363811684 457452015 /nfs/dbraw/zinc/45/20/15/457452015.db2.gz CSWNTJUAYKLFGL-ROUUACIJSA-N 2 0 345.531 3.131 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)c2cccs2)CC1 ZINC000342695177 457461040 /nfs/dbraw/zinc/46/10/40/457461040.db2.gz OYBKPRRTRMGMOG-IXDOHACOSA-N 2 0 349.544 3.025 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000394906654 457475301 /nfs/dbraw/zinc/47/53/01/457475301.db2.gz ASKMCQJWVLWODW-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+](CC)CC ZINC000342724448 457479828 /nfs/dbraw/zinc/47/98/28/457479828.db2.gz CKLDIJUICZURCH-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000397296688 457485886 /nfs/dbraw/zinc/48/58/86/457485886.db2.gz BRRFORVBZSSPMQ-OBJOEFQTSA-N 2 0 328.403 3.102 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000397918076 457491009 /nfs/dbraw/zinc/49/10/09/457491009.db2.gz JJNSHYOGJWQSGY-PKOBYXMFSA-N 2 0 347.503 3.155 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360987562 457491983 /nfs/dbraw/zinc/49/19/83/457491983.db2.gz QYIBCQMDWKYPLZ-ZIAGYGMSSA-N 2 0 328.451 3.205 20 0 EGADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000425354915 457515676 /nfs/dbraw/zinc/51/56/76/457515676.db2.gz OEXAICGNTQPYST-WTLGNFPFSA-N 2 0 334.529 3.279 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000425412799 457540719 /nfs/dbraw/zinc/54/07/19/457540719.db2.gz CDUQVKDGOXJIRY-YTQUADARSA-N 2 0 332.488 3.138 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3ccsc3)CC2)CC1 ZINC000361096092 457580635 /nfs/dbraw/zinc/58/06/35/457580635.db2.gz KYSUSWRAZIYSFJ-UHFFFAOYSA-N 2 0 335.561 3.171 20 0 EGADRP COc1ccc2oc([C@H](C)[NH2+]CC3CC[NH+](CCO)CC3)c(C)c2c1 ZINC000361173106 457628357 /nfs/dbraw/zinc/62/83/57/457628357.db2.gz AHHKLRIKOAGBRB-HNNXBMFYSA-N 2 0 346.471 3.105 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCCc4ccccc43)C2)CC1 ZINC000370632839 457687040 /nfs/dbraw/zinc/68/70/40/457687040.db2.gz DGIBWXSECGRQEI-RXVVDRJESA-N 2 0 327.516 3.212 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357786584 457689296 /nfs/dbraw/zinc/68/92/96/457689296.db2.gz FYAKNWGOQIXSMD-UWJYYQICSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000357842530 457708840 /nfs/dbraw/zinc/70/88/40/457708840.db2.gz BLOXMPUNVQNHGI-NFAWXSAZSA-N 2 0 345.409 3.188 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000365047692 457725513 /nfs/dbraw/zinc/72/55/13/457725513.db2.gz XURNUMWUJMVECY-OFLPRAFFSA-N 2 0 347.469 3.067 20 0 EGADRP CCC[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000374990938 457746666 /nfs/dbraw/zinc/74/66/66/457746666.db2.gz OVMLMKUCAHOTSY-SFTDATJTSA-N 2 0 329.532 3.282 20 0 EGADRP Cc1ccc2cc([C@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)oc2c1 ZINC000426015526 457761101 /nfs/dbraw/zinc/76/11/01/457761101.db2.gz GIPDZYKRBOKIFS-SJORKVTESA-N 2 0 329.488 3.418 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CC=C(C)CC2)cc1)C1CC1 ZINC000358074536 457767759 /nfs/dbraw/zinc/76/77/59/457767759.db2.gz DZGAMUXHWUEBIO-UHFFFAOYSA-N 2 0 341.499 3.053 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000433155470 457767774 /nfs/dbraw/zinc/76/77/74/457767774.db2.gz DXPCWGJLYFZZHC-INIZCTEOSA-N 2 0 339.483 3.220 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426095009 457771696 /nfs/dbraw/zinc/77/16/96/457771696.db2.gz YXQOUYSJTMCHRH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP c1ncn(C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC000411209150 457830916 /nfs/dbraw/zinc/83/09/16/457830916.db2.gz NGMLJFOYISZGAW-UHFFFAOYSA-N 2 0 339.487 3.101 20 0 EGADRP c1ncn([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411250588 457841760 /nfs/dbraw/zinc/84/17/60/457841760.db2.gz ZTQMGHZUAJCPND-FQEVSTJZSA-N 2 0 339.487 3.101 20 0 EGADRP COCCOC[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411291902 457850902 /nfs/dbraw/zinc/85/09/02/457850902.db2.gz JQTSUKBSYRCHPQ-NRFANRHFSA-N 2 0 346.515 3.157 20 0 EGADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c2ccccc2n1 ZINC000371299494 457854102 /nfs/dbraw/zinc/85/41/02/457854102.db2.gz HNXWEMZJRDEFGV-JRGCBEDISA-N 2 0 339.483 3.227 20 0 EGADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c2ccccc2n1 ZINC000371299491 457854501 /nfs/dbraw/zinc/85/45/01/457854501.db2.gz HNXWEMZJRDEFGV-DUXKGJEZSA-N 2 0 339.483 3.227 20 0 EGADRP O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411303697 457855170 /nfs/dbraw/zinc/85/51/70/457855170.db2.gz AXVRDBORUOQDIG-QGZVFWFLSA-N 2 0 342.405 3.172 20 0 EGADRP C[N@@H+](CCc1cncs1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000411427374 457884374 /nfs/dbraw/zinc/88/43/74/457884374.db2.gz IJLWRECXGIRJFW-UHFFFAOYSA-N 2 0 330.501 3.319 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000358252712 457889151 /nfs/dbraw/zinc/88/91/51/457889151.db2.gz NTNNAHAREXBTIZ-HOTGVXAUSA-N 2 0 330.394 3.059 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000358252706 457889323 /nfs/dbraw/zinc/88/93/23/457889323.db2.gz NTNNAHAREXBTIZ-CVEARBPZSA-N 2 0 330.394 3.059 20 0 EGADRP Cc1ccc([C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000371402423 457911327 /nfs/dbraw/zinc/91/13/27/457911327.db2.gz XIGGRRUWISVVCN-FPOVZHCZSA-N 2 0 327.516 3.204 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C ZINC000411620665 457929518 /nfs/dbraw/zinc/92/95/18/457929518.db2.gz QGGRHRKEXJCFEY-VQIMIIECSA-N 2 0 330.472 3.056 20 0 EGADRP Cc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361891790 457935129 /nfs/dbraw/zinc/93/51/29/457935129.db2.gz YNGFMNDUXQFKQD-WDSOQIARSA-N 2 0 328.456 3.122 20 0 EGADRP C[C@H]1CC[S@@](=O)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411640166 457937140 /nfs/dbraw/zinc/93/71/40/457937140.db2.gz VEZYYIFRNMMYLS-GAJHUEQPSA-N 2 0 334.529 3.015 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1)CC(C)C ZINC000427068584 457940348 /nfs/dbraw/zinc/94/03/48/457940348.db2.gz BAHYQLBNLWSJAH-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000358334602 457940644 /nfs/dbraw/zinc/94/06/44/457940644.db2.gz ZEZJZLZGKAGCNB-XJKSGUPXSA-N 2 0 330.394 3.195 20 0 EGADRP CN(CC(=O)N(c1ccccc1)C1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000358370357 457959884 /nfs/dbraw/zinc/95/98/84/457959884.db2.gz PELSZBLHMSTORT-SFHVURJKSA-N 2 0 343.515 3.426 20 0 EGADRP O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000427306795 457971961 /nfs/dbraw/zinc/97/19/61/457971961.db2.gz DUWRYAXYVPQDLW-SFHVURJKSA-N 2 0 343.515 3.069 20 0 EGADRP c1csc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)n1 ZINC000371578531 457996010 /nfs/dbraw/zinc/99/60/10/457996010.db2.gz DISXAZPBAARKKP-UHFFFAOYSA-N 2 0 348.560 3.499 20 0 EGADRP Cc1sc2[nH]c([C@H](C)N3CCC4(C3)CC[NH2+]CC4)nc(=O)c2c1C ZINC000358520517 458053074 /nfs/dbraw/zinc/05/30/74/458053074.db2.gz VRUVOSQZEITEGU-LBPRGKRZSA-N 2 0 346.500 3.150 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CCC2)c1 ZINC000428038992 458070879 /nfs/dbraw/zinc/07/08/79/458070879.db2.gz BFWWJMMDGMRBQB-ICSRJNTNSA-N 2 0 344.499 3.066 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CCC2)c1 ZINC000428038993 458071246 /nfs/dbraw/zinc/07/12/46/458071246.db2.gz BFWWJMMDGMRBQB-QUCCMNQESA-N 2 0 344.499 3.066 20 0 EGADRP CSC[C@@H](CCO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000375837068 458087611 /nfs/dbraw/zinc/08/76/11/458087611.db2.gz FXGASGNMVJIBOD-JLAWEPINSA-N 2 0 336.545 3.133 20 0 EGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412127664 458101026 /nfs/dbraw/zinc/10/10/26/458101026.db2.gz QQYPYJVTHHPBCV-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC[C@@H]1C[C@@H](C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000435371338 458121887 /nfs/dbraw/zinc/12/18/87/458121887.db2.gz MDNMSAVWPARXRE-DFQSSKMNSA-N 2 0 331.504 3.231 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373766 458124007 /nfs/dbraw/zinc/12/40/07/458124007.db2.gz FTYHTXMTJQFEFQ-GXTWGEPZSA-N 2 0 338.377 3.060 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435373552 458124739 /nfs/dbraw/zinc/12/47/39/458124739.db2.gz VDKGJKKQLKHELR-SJLPKXTDSA-N 2 0 347.466 3.103 20 0 EGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435373759 458125222 /nfs/dbraw/zinc/12/52/22/458125222.db2.gz VKYROFCKIFSVIR-GXTWGEPZSA-N 2 0 338.377 3.060 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435376969 458126182 /nfs/dbraw/zinc/12/61/82/458126182.db2.gz WUKJXEIHWJNLOQ-PKOBYXMFSA-N 2 0 339.483 3.447 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000358655818 458132801 /nfs/dbraw/zinc/13/28/01/458132801.db2.gz BQERVUVPBLZBBA-IAGOWNOFSA-N 2 0 348.535 3.144 20 0 EGADRP CCN(CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623409 458174520 /nfs/dbraw/zinc/17/45/20/458174520.db2.gz CMPPGVBNSBMCAG-QUCCMNQESA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000358738705 458182365 /nfs/dbraw/zinc/18/23/65/458182365.db2.gz BCYUATLQYVTHON-LJQANCHMSA-N 2 0 326.488 3.428 20 0 EGADRP Cc1ncsc1CN(CCOc1cccc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000435738067 458193356 /nfs/dbraw/zinc/19/33/56/458193356.db2.gz OIXUEWOOTRGSIL-QGZVFWFLSA-N 2 0 345.512 3.250 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000362472377 458201360 /nfs/dbraw/zinc/20/13/60/458201360.db2.gz JTJXZLXJDSYVMY-GPMSIDNRSA-N 2 0 329.488 3.197 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C2CCC2)cc1 ZINC000358771286 458206701 /nfs/dbraw/zinc/20/67/01/458206701.db2.gz YNHXPTJXWZPBBA-UHFFFAOYSA-N 2 0 345.531 3.300 20 0 EGADRP CCOc1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)nn1CC(C)C ZINC000446887562 458242514 /nfs/dbraw/zinc/24/25/14/458242514.db2.gz VRHYSYQVSPWXCP-UHFFFAOYSA-N 2 0 348.535 3.210 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000362551943 458264675 /nfs/dbraw/zinc/26/46/75/458264675.db2.gz KBONVBOZFWHEQM-GPMSIDNRSA-N 2 0 329.488 3.055 20 0 EGADRP CCCc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000376326481 458267813 /nfs/dbraw/zinc/26/78/13/458267813.db2.gz ZLWIQVQETKWNOJ-GHTZIAJQSA-N 2 0 329.532 3.097 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C[C@H](C)O1 ZINC000436246542 458274928 /nfs/dbraw/zinc/27/49/28/458274928.db2.gz ZWHCXPZAYMDMET-GASCZTMLSA-N 2 0 348.516 3.117 20 0 EGADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000372333686 458279954 /nfs/dbraw/zinc/27/99/54/458279954.db2.gz RXCPUMIKQMCDDW-KNQAVFIVSA-N 2 0 343.559 3.343 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCCc3ccccc3)C2)CC1 ZINC000372338360 458282095 /nfs/dbraw/zinc/28/20/95/458282095.db2.gz QLNMXZAIJGCOOT-NRFANRHFSA-N 2 0 329.532 3.110 20 0 EGADRP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)nc1 ZINC000436293141 458283597 /nfs/dbraw/zinc/28/35/97/458283597.db2.gz ODLPCVWUPLMLPN-FQEVSTJZSA-N 2 0 342.531 3.437 20 0 EGADRP c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)nc1 ZINC000436293143 458284703 /nfs/dbraw/zinc/28/47/03/458284703.db2.gz ODLPCVWUPLMLPN-HXUWFJFHSA-N 2 0 342.531 3.437 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1 ZINC000429189683 458290393 /nfs/dbraw/zinc/29/03/93/458290393.db2.gz LDSYEBBLRLPGMM-FQEVSTJZSA-N 2 0 333.520 3.412 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447541879 458307910 /nfs/dbraw/zinc/30/79/10/458307910.db2.gz NYVBPCMBRVABJK-SFTDATJTSA-N 2 0 329.532 3.488 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000447556683 458309989 /nfs/dbraw/zinc/30/99/89/458309989.db2.gz GZIOZCXYGWYLMS-MRXNPFEDSA-N 2 0 341.499 3.338 20 0 EGADRP Cc1cc(F)c(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000459373679 458347688 /nfs/dbraw/zinc/34/76/88/458347688.db2.gz VYUPXWHOLNPZEA-SFHVURJKSA-N 2 0 341.902 3.149 20 0 EGADRP CCN(CC)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000459376096 458349451 /nfs/dbraw/zinc/34/94/51/458349451.db2.gz ZTXAEIXEWIGLRL-HXUWFJFHSA-N 2 0 332.536 3.397 20 0 EGADRP COc1ccccc1O[C@@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459430070 458369073 /nfs/dbraw/zinc/36/90/73/458369073.db2.gz REHDITLNZOKWCG-INIZCTEOSA-N 2 0 341.455 3.116 20 0 EGADRP CC(C)CN1CCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459447411 458375253 /nfs/dbraw/zinc/37/52/53/458375253.db2.gz JPHROMMFRYJNEW-FQEVSTJZSA-N 2 0 330.520 3.151 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[C@H]1SC ZINC000459469948 458382961 /nfs/dbraw/zinc/38/29/61/458382961.db2.gz TVGAOQSBJOTMJQ-FZMABENVSA-N 2 0 326.550 3.138 20 0 EGADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459525809 458400149 /nfs/dbraw/zinc/40/01/49/458400149.db2.gz AAZRHOAZUVHWBQ-HZPDHXFCSA-N 2 0 325.403 3.190 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459562151 458411983 /nfs/dbraw/zinc/41/19/83/458411983.db2.gz AMBARJXYOIDZHD-SFTDATJTSA-N 2 0 329.532 3.140 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423456773 458435764 /nfs/dbraw/zinc/43/57/64/458435764.db2.gz HCGMYNFVWWGBET-YQQAZPJKSA-N 2 0 332.492 3.385 20 0 EGADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ncc(Br)cc1F ZINC000423476722 458438863 /nfs/dbraw/zinc/43/88/63/458438863.db2.gz JLUMASZWHQVSFF-ZYHUDNBSSA-N 2 0 330.245 3.166 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423480934 458439732 /nfs/dbraw/zinc/43/97/32/458439732.db2.gz NSXJDEHAMLOFSZ-IAGOWNOFSA-N 2 0 332.879 3.285 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423479218 458440147 /nfs/dbraw/zinc/44/01/47/458440147.db2.gz URXZVRVCTCBCKK-SSSFQFABSA-N 3 0 327.516 3.289 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000423494467 458443532 /nfs/dbraw/zinc/44/35/32/458443532.db2.gz SDCIVMCDQDLTNQ-VPJDZLOFSA-N 2 0 327.241 3.293 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cccnc2)cc1 ZINC000423542221 458454528 /nfs/dbraw/zinc/45/45/28/458454528.db2.gz MEIJWZVWEOOQLE-UUXHPUJUSA-N 2 0 325.431 3.288 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000430548035 458459555 /nfs/dbraw/zinc/45/95/55/458459555.db2.gz VVAMVVGNNZVSGE-UHFFFAOYSA-N 2 0 328.909 3.262 20 0 EGADRP COc1ccc(Br)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459733311 458461724 /nfs/dbraw/zinc/46/17/24/458461724.db2.gz NGZXAQXIWBEWFI-CYBMUJFWSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430581465 458466642 /nfs/dbraw/zinc/46/66/42/458466642.db2.gz ONVNHEYTPQNKFP-STQMWFEESA-N 2 0 343.393 3.093 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC3 ZINC000459786684 458479237 /nfs/dbraw/zinc/47/92/37/458479237.db2.gz PGPDYFPLLGCSQV-JKSUJKDBSA-N 2 0 341.499 3.355 20 0 EGADRP CC(C)(C)[C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000423860453 458499555 /nfs/dbraw/zinc/49/95/55/458499555.db2.gz MYWWINKJFCIEBH-AEFFLSMTSA-N 2 0 337.552 3.301 20 0 EGADRP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@H](C)[NH3+])CC3)n2)cc1 ZINC000430920266 458505322 /nfs/dbraw/zinc/50/53/22/458505322.db2.gz OEAIGAREJCDSGY-AWEZNQCLSA-N 2 0 328.460 3.419 20 0 EGADRP C[C@@H]1C[C@H](CCNC(=O)C2([NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423891730 458506931 /nfs/dbraw/zinc/50/69/31/458506931.db2.gz BRYKANIELGNFDU-MJGOQNOKSA-N 2 0 343.515 3.065 20 0 EGADRP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430933150 458507746 /nfs/dbraw/zinc/50/77/46/458507746.db2.gz HFHQCGQWSHWUFH-UHFFFAOYSA-N 2 0 329.532 3.220 20 0 EGADRP CC(C)[C@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000377634460 458507887 /nfs/dbraw/zinc/50/78/87/458507887.db2.gz XKKWDHBARBTWDD-QFIPXVFZSA-N 2 0 343.559 3.386 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1)c1ccccc1 ZINC000460383845 458514650 /nfs/dbraw/zinc/51/46/50/458514650.db2.gz IGTFOOUVDMSWCZ-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021434 458517407 /nfs/dbraw/zinc/51/74/07/458517407.db2.gz JHBJWTFUKGRUMC-MRXNPFEDSA-N 2 0 337.467 3.242 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1)C1CC1 ZINC000424066849 458549447 /nfs/dbraw/zinc/54/94/47/458549447.db2.gz GHVGUIAQWXECTN-GJYPPUQNSA-N 2 0 343.515 3.116 20 0 EGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424151569 458571663 /nfs/dbraw/zinc/57/16/63/458571663.db2.gz HZPPVSMABLQYFK-QRVBRYPASA-N 2 0 335.536 3.150 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424288027 458604988 /nfs/dbraw/zinc/60/49/88/458604988.db2.gz JSAYLKIIBVGQBA-UHFFFAOYSA-N 2 0 340.471 3.111 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424293719 458606576 /nfs/dbraw/zinc/60/65/76/458606576.db2.gz PSIZZIRSCBRDQU-KRWDZBQOSA-N 2 0 329.488 3.014 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297415 458607331 /nfs/dbraw/zinc/60/73/31/458607331.db2.gz SOAPJVNNPPSFEO-CQSZACIVSA-N 2 0 335.879 3.051 20 0 EGADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000493969573 458608266 /nfs/dbraw/zinc/60/82/66/458608266.db2.gz OEZQGBHVXIDLRS-DYESRHJHSA-N 2 0 342.483 3.493 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424300125 458609624 /nfs/dbraw/zinc/60/96/24/458609624.db2.gz JSGCYTIAPCMEGM-IBGZPJMESA-N 3 0 335.511 3.312 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431722482 458613176 /nfs/dbraw/zinc/61/31/76/458613176.db2.gz MFPUTOMMRLXOBG-HKUYNNGSSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000431753371 458618746 /nfs/dbraw/zinc/61/87/46/458618746.db2.gz KCINMKGPKGYFKG-FQEVSTJZSA-N 2 0 343.515 3.032 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424383807 458629987 /nfs/dbraw/zinc/62/99/87/458629987.db2.gz UOCJCSUTFCNCMZ-INIZCTEOSA-N 2 0 332.488 3.448 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3ccc(Cl)cc3n1C)CC[NH2+]CC2 ZINC000424386606 458630948 /nfs/dbraw/zinc/63/09/48/458630948.db2.gz XQOVGRYUABJWEH-CYBMUJFWSA-N 2 0 332.879 3.191 20 0 EGADRP COc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1OC(C)C ZINC000424385625 458631534 /nfs/dbraw/zinc/63/15/34/458631534.db2.gz WFDXRVOTNJHQDM-MRXNPFEDSA-N 2 0 332.488 3.446 20 0 EGADRP CC[C@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000546810627 458677532 /nfs/dbraw/zinc/67/75/32/458677532.db2.gz SXJPDIPWQSRTSB-SFTDATJTSA-N 2 0 329.532 3.457 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000530248995 458730574 /nfs/dbraw/zinc/73/05/74/458730574.db2.gz SAWWVCONVYSDCS-SFHVURJKSA-N 2 0 344.455 3.032 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)[NH+](C)C ZINC000472087388 458767522 /nfs/dbraw/zinc/76/75/22/458767522.db2.gz HCAGPOZUZZQQIE-IEBWSBKVSA-N 2 0 345.531 3.352 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473317898 458825711 /nfs/dbraw/zinc/82/57/11/458825711.db2.gz USGLMWAKGGPGNJ-VQTJNVASSA-N 2 0 345.531 3.324 20 0 EGADRP CCCc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000440681250 458841876 /nfs/dbraw/zinc/84/18/76/458841876.db2.gz SROSEVWTUHRNSF-UHFFFAOYSA-N 2 0 340.515 3.047 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(c2ccncc2Br)CC1 ZINC000548154254 458846401 /nfs/dbraw/zinc/84/64/01/458846401.db2.gz BBDHDYXDDVDCHE-UHFFFAOYSA-N 2 0 326.282 3.401 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000474481607 458888298 /nfs/dbraw/zinc/88/82/98/458888298.db2.gz YIYBZOBMPPNQOJ-ZVBHREPYSA-N 2 0 338.536 3.456 20 0 EGADRP CCCCCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000441389454 458932965 /nfs/dbraw/zinc/93/29/65/458932965.db2.gz ZNITZXMLTXHDCB-UHFFFAOYSA-N 2 0 347.547 3.371 20 0 EGADRP FC(F)(F)Cn1cc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000566555717 458958824 /nfs/dbraw/zinc/95/88/24/458958824.db2.gz SIFGHWZMJQWTRL-JKSUJKDBSA-N 2 0 338.377 3.028 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531704338 458964392 /nfs/dbraw/zinc/96/43/92/458964392.db2.gz BMCLAWUSVUHJLW-HNAYVOBHSA-N 2 0 335.923 3.191 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531704339 458964413 /nfs/dbraw/zinc/96/44/13/458964413.db2.gz BMCLAWUSVUHJLW-KXBFYZLASA-N 2 0 335.923 3.191 20 0 EGADRP C[NH+](C)CCCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000495813738 458964621 /nfs/dbraw/zinc/96/46/21/458964621.db2.gz JDMHIXJRWGQRQT-UHFFFAOYSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000519569338 458965708 /nfs/dbraw/zinc/96/57/08/458965708.db2.gz WZOKFUZBBYGXQS-LJQANCHMSA-N 2 0 331.548 3.213 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000495849881 458976374 /nfs/dbraw/zinc/97/63/74/458976374.db2.gz LOWAQYSHWXMPQR-NVXWUHKLSA-N 2 0 339.524 3.286 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)cc1 ZINC000577165927 458989545 /nfs/dbraw/zinc/98/95/45/458989545.db2.gz GFRTYAPNJXJSHF-YOEHRIQHSA-N 2 0 328.431 3.496 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000577170548 458990820 /nfs/dbraw/zinc/99/08/20/458990820.db2.gz JBPTYAHIUGODNU-HNNXBMFYSA-N 2 0 327.241 3.165 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000577183185 458993893 /nfs/dbraw/zinc/99/38/93/458993893.db2.gz USYRAZRBWRCMPS-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000566852699 459011129 /nfs/dbraw/zinc/01/11/29/459011129.db2.gz MVBADJHTYOZYDA-WMZOPIPTSA-N 2 0 347.528 3.082 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](CO)Cc3ccco3)CC2)C1 ZINC000532025354 459018870 /nfs/dbraw/zinc/01/88/70/459018870.db2.gz ZPIRFVDSERMYFR-LMMKCTJWSA-N 2 0 334.504 3.063 20 0 EGADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476982805 459025975 /nfs/dbraw/zinc/02/59/75/459025975.db2.gz KKJLCYMGVGJLDK-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCOC(=O)N1CCC([NH2+][C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000495995972 459031624 /nfs/dbraw/zinc/03/16/24/459031624.db2.gz WGVLNBBWNFVALG-IBGZPJMESA-N 2 0 341.455 3.050 20 0 EGADRP C[N@H+](CCOc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757614 459031770 /nfs/dbraw/zinc/03/17/70/459031770.db2.gz MQYIUKUPCRCLQB-PBWFPOADSA-N 2 0 328.378 3.299 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000496126573 459078014 /nfs/dbraw/zinc/07/80/14/459078014.db2.gz DNIZVHKOUAYECX-AEFFLSMTSA-N 2 0 333.520 3.399 20 0 EGADRP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1cccs1 ZINC000443057671 459079870 /nfs/dbraw/zinc/07/98/70/459079870.db2.gz HRISJFMVMZFHCF-RHSMWYFYSA-N 2 0 337.533 3.012 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443061068 459080881 /nfs/dbraw/zinc/08/08/81/459080881.db2.gz QUXMBZZWVJEOJK-SCTDSRPQSA-N 2 0 331.504 3.093 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1(C)C ZINC000443071995 459084643 /nfs/dbraw/zinc/08/46/43/459084643.db2.gz TZSXUJNMSCOKBC-UHFFFAOYSA-N 2 0 345.531 3.034 20 0 EGADRP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)ccc1F ZINC000443076523 459086299 /nfs/dbraw/zinc/08/62/99/459086299.db2.gz SPLKLDCMGOVVMD-UONOGXRCSA-N 2 0 332.423 3.306 20 0 EGADRP CC[C@@H](C)[NH2+][C@@H](CNc1nc(C2CC2)nc2c1CCC2)c1ccco1 ZINC000557695509 459101195 /nfs/dbraw/zinc/10/11/95/459101195.db2.gz LVQAWAGAPOEVNH-DYVFJYSZSA-N 2 0 340.471 3.399 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000521037312 459114032 /nfs/dbraw/zinc/11/40/32/459114032.db2.gz DJNNKDSNLQAQQN-DLBZAZTESA-N 2 0 331.504 3.065 20 0 EGADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000479064824 459120217 /nfs/dbraw/zinc/12/02/17/459120217.db2.gz FYNCMTYJNRQAJY-LSTHTHJFSA-N 2 0 330.516 3.474 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000496254244 459126053 /nfs/dbraw/zinc/12/60/53/459126053.db2.gz MDJMDANNZSMECQ-JKSUJKDBSA-N 2 0 344.459 3.260 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000578050563 459138566 /nfs/dbraw/zinc/13/85/66/459138566.db2.gz DUGFYQABLCBZIK-HXUWFJFHSA-N 2 0 336.483 3.307 20 0 EGADRP COC1(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CCCCC1 ZINC000479409432 459139839 /nfs/dbraw/zinc/13/98/39/459139839.db2.gz FFSUYVASZHOSFG-UHFFFAOYSA-N 2 0 334.504 3.456 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000567688019 459146195 /nfs/dbraw/zinc/14/61/95/459146195.db2.gz HHEDEMQVCGZESJ-QGZVFWFLSA-N 2 0 349.494 3.420 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479567451 459149543 /nfs/dbraw/zinc/14/95/43/459149543.db2.gz XWHFZKXBJKDGNA-UHFFFAOYSA-N 2 0 342.531 3.292 20 0 EGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000567786529 459167242 /nfs/dbraw/zinc/16/72/42/459167242.db2.gz AZYDQXDDXYIBSX-OALUTQOASA-N 2 0 335.536 3.009 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000558560520 459173747 /nfs/dbraw/zinc/17/37/47/459173747.db2.gz KQEBFUVMSAUKJK-QGZVFWFLSA-N 2 0 339.483 3.264 20 0 EGADRP C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000594966613 459198204 /nfs/dbraw/zinc/19/82/04/459198204.db2.gz NJRVVRPIOYFCSH-CECAUBDESA-N 2 0 326.550 3.063 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCc3ccccn3)C2)s1 ZINC000567994200 459203620 /nfs/dbraw/zinc/20/36/20/459203620.db2.gz GDQWRWWXVDKIGX-QGZVFWFLSA-N 2 0 329.513 3.448 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000568078289 459223084 /nfs/dbraw/zinc/22/30/84/459223084.db2.gz MGTPAOMGINUTGT-HIFRSBDPSA-N 2 0 346.437 3.175 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCCC1 ZINC000480900558 459223695 /nfs/dbraw/zinc/22/36/95/459223695.db2.gz RDUXTHZOUTVHBQ-RTBURBONSA-N 3 0 347.547 3.400 20 0 EGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000559842557 459280829 /nfs/dbraw/zinc/28/08/29/459280829.db2.gz JZFQKJPWJYDNLL-VSKRKVRLSA-N 2 0 338.495 3.324 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000590955474 459281500 /nfs/dbraw/zinc/28/15/00/459281500.db2.gz RGRNZBBBKAFIHK-IYWMVGAKSA-N 2 0 348.556 3.397 20 0 EGADRP CC(C)(C)OC(=O)CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000590958278 459281677 /nfs/dbraw/zinc/28/16/77/459281677.db2.gz PDVHTFNIOBCSAR-UHFFFAOYSA-N 2 0 333.476 3.152 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(OC(F)F)c1 ZINC000568415562 459286021 /nfs/dbraw/zinc/28/60/21/459286021.db2.gz XSXBHMZXIUEOQM-UONOGXRCSA-N 2 0 328.403 3.436 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000482102593 459290444 /nfs/dbraw/zinc/29/04/44/459290444.db2.gz TVJXZACDLMVNLK-JZXOWHBKSA-N 2 0 335.923 3.405 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000591039571 459298915 /nfs/dbraw/zinc/29/89/15/459298915.db2.gz MAWNDZMGDTUPEU-MOPGFXCFSA-N 2 0 330.472 3.104 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482485401 459311273 /nfs/dbraw/zinc/31/12/73/459311273.db2.gz BALKKLJXAMTNQE-RTBURBONSA-N 2 0 343.559 3.490 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000534347198 459319001 /nfs/dbraw/zinc/31/90/01/459319001.db2.gz XQCITPOWYGWXFJ-UHFFFAOYSA-N 2 0 330.520 3.234 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000560594053 459377742 /nfs/dbraw/zinc/37/77/42/459377742.db2.gz FRSQQESWDMQUMM-JXFKEZNVSA-N 2 0 334.479 3.431 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccccc1OCc1ccccc1 ZINC000582554469 459383907 /nfs/dbraw/zinc/38/39/07/459383907.db2.gz NRTXSGXIANPTDE-MJGOQNOKSA-N 2 0 342.483 3.229 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000496957066 459385014 /nfs/dbraw/zinc/38/50/14/459385014.db2.gz PYLIFZWILXSOJM-QBPKDAKJSA-N 2 0 339.524 3.142 20 0 EGADRP C[N@@H+]1CCCC12CCN(CCOc1ccc(Cl)c(F)c1)CC2 ZINC000484085021 459405798 /nfs/dbraw/zinc/40/57/98/459405798.db2.gz UILMUZDLTCDOPW-UHFFFAOYSA-N 2 0 326.843 3.418 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)[NH+]1CCCCC1 ZINC000541557368 459466403 /nfs/dbraw/zinc/46/64/03/459466403.db2.gz FUGQZGQTYMXGMQ-HZPDHXFCSA-N 2 0 329.488 3.486 20 0 EGADRP COc1cc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000583071856 459477192 /nfs/dbraw/zinc/47/71/92/459477192.db2.gz VYBFBMYCZKDJRK-OCCSQVGLSA-N 2 0 328.403 3.117 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497221609 459491958 /nfs/dbraw/zinc/49/19/58/459491958.db2.gz NBRYTCUKCHMVQU-DOTOQJQBSA-N 2 0 339.524 3.238 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000497243889 459500038 /nfs/dbraw/zinc/50/00/38/459500038.db2.gz HLNIJAIUTPQLAR-HNNXBMFYSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541882160 459506451 /nfs/dbraw/zinc/50/64/51/459506451.db2.gz GVTHGCIZQVUWNG-HNNXBMFYSA-N 2 0 344.503 3.353 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000562657451 459613492 /nfs/dbraw/zinc/61/34/92/459613492.db2.gz IWYGDFPIXPSTCB-IZZQQSIFSA-N 2 0 334.504 3.453 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543433603 459657076 /nfs/dbraw/zinc/65/70/76/459657076.db2.gz GDIAWXPSYWBSQE-XHSDSOJGSA-N 2 0 325.541 3.026 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000562838951 459657501 /nfs/dbraw/zinc/65/75/01/459657501.db2.gz TUPCWZMZNXXFPM-ICSRJNTNSA-N 2 0 341.455 3.060 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCN(C(C)(C)C)C3=O)CC2)C1 ZINC000584231629 459686966 /nfs/dbraw/zinc/68/69/66/459686966.db2.gz GYUUROZYJWBENL-BPQIPLTHSA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1)C(C)C ZINC000563115192 459717886 /nfs/dbraw/zinc/71/78/86/459717886.db2.gz NUYXAFCITFMRSS-HKUYNNGSSA-N 2 0 331.504 3.164 20 0 EGADRP Cc1[nH+]c2ccccc2c(NCC2([NH+]3CCCC3)CCOCC2)c1C ZINC000544067887 459723057 /nfs/dbraw/zinc/72/30/57/459723057.db2.gz POLWTBBIOVPGRV-UHFFFAOYSA-N 2 0 339.483 3.330 20 0 EGADRP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000584577785 459771272 /nfs/dbraw/zinc/77/12/72/459771272.db2.gz WCFSJYVWXZGMGQ-DLBZAZTESA-N 2 0 330.863 3.208 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCSCc3ccccc3)C2)C1 ZINC000593315421 459839153 /nfs/dbraw/zinc/83/91/53/459839153.db2.gz JNLPGDITVQWBNR-IPMKNSEASA-N 2 0 334.529 3.138 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3snnc3C)C2)s1 ZINC000566306721 459839369 /nfs/dbraw/zinc/83/93/69/459839369.db2.gz WRXUMCZIGVCPOT-CQSZACIVSA-N 2 0 336.530 3.170 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)c2ccccc21 ZINC000593324750 459843577 /nfs/dbraw/zinc/84/35/77/459843577.db2.gz ZJVRMLWNINYSSE-RBUKOAKNSA-N 2 0 330.472 3.148 20 0 EGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000566415215 459862536 /nfs/dbraw/zinc/86/25/36/459862536.db2.gz YMAMOLXMRIACOZ-FQEVSTJZSA-N 2 0 338.499 3.396 20 0 EGADRP O=[S@@](CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000609193111 459921747 /nfs/dbraw/zinc/92/17/47/459921747.db2.gz HNRIKLGLMPZNMO-DEOSSOPVSA-N 2 0 348.556 3.382 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000598672956 459985564 /nfs/dbraw/zinc/98/55/64/459985564.db2.gz MKAMNFMSJGAFNX-QGZVFWFLSA-N 2 0 335.561 3.301 20 0 EGADRP COC(=O)c1cc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)oc1C ZINC000575819570 460010129 /nfs/dbraw/zinc/01/01/29/460010129.db2.gz SSXSCTVXDVNRJY-CQSZACIVSA-N 2 0 336.476 3.488 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000621748710 460047085 /nfs/dbraw/zinc/04/70/85/460047085.db2.gz KWHLHRVRKBOZMX-KRWDZBQOSA-N 2 0 329.488 3.383 20 0 EGADRP CSC1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC[NH+](C)CC1 ZINC000589345394 460076755 /nfs/dbraw/zinc/07/67/55/460076755.db2.gz FPOZZBLVZNGVFG-INIZCTEOSA-N 2 0 326.456 3.369 20 0 EGADRP O=C(CN1CCC[C@H](c2ncc[nH]2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625251078 460089756 /nfs/dbraw/zinc/08/97/56/460089756.db2.gz BXYWBGALNOGNFQ-LBPRGKRZSA-N 2 0 326.375 3.092 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641922 460120066 /nfs/dbraw/zinc/12/00/66/460120066.db2.gz VMDJURAAIJLZLO-IAGOWNOFSA-N 2 0 328.504 3.421 20 0 EGADRP COC(=O)CCCC[N@@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000599340381 460231267 /nfs/dbraw/zinc/23/12/67/460231267.db2.gz UZGUQKGQCNQYED-MRXNPFEDSA-N 2 0 329.444 3.152 20 0 EGADRP CC[N@H+](CC(=O)N(C)C1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061862 460357970 /nfs/dbraw/zinc/35/79/70/460357970.db2.gz XWRRTRXKNVDMSQ-UHFFFAOYSA-N 2 0 345.531 3.361 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000631579931 460455947 /nfs/dbraw/zinc/45/59/47/460455947.db2.gz CRNMNESNZWNUIM-NDXORKPFSA-N 2 0 346.515 3.409 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](CCC)C2)cc1 ZINC000619899878 460467141 /nfs/dbraw/zinc/46/71/41/460467141.db2.gz TYAAOHLOIFOXNY-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c1 ZINC000634676923 460471400 /nfs/dbraw/zinc/47/14/00/460471400.db2.gz VOXTYCOHQXEOSR-ALOPSCKCSA-N 2 0 326.444 3.138 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000634679031 460471867 /nfs/dbraw/zinc/47/18/67/460471867.db2.gz JMXQLXXOQOGFEO-LJQANCHMSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000631617400 460474450 /nfs/dbraw/zinc/47/44/50/460474450.db2.gz GUENHNZEJOCJBI-ZWKOTPCHSA-N 2 0 342.531 3.105 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C(C)(C)C ZINC000604786393 460480499 /nfs/dbraw/zinc/48/04/99/460480499.db2.gz HBEZPPSKRIYNDC-IYBDPMFKSA-N 2 0 342.572 3.018 20 0 EGADRP O[C@]1(CNc2ccc3c[nH+]ccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634718581 460490929 /nfs/dbraw/zinc/49/09/29/460490929.db2.gz FVKPRUMSPKAVGP-NRFANRHFSA-N 2 0 333.435 3.284 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732600 460497276 /nfs/dbraw/zinc/49/72/76/460497276.db2.gz KDUUVRZZXHCGSL-LJQANCHMSA-N 2 0 340.515 3.416 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000631667728 460500971 /nfs/dbraw/zinc/50/09/71/460500971.db2.gz RNXVQBKIVPQZKE-KPFFTGBYSA-N 2 0 338.499 3.155 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000623886688 460762932 /nfs/dbraw/zinc/76/29/32/460762932.db2.gz IONOXFVCZZMFAG-TZIWHRDSSA-N 2 0 331.548 3.261 20 0 EGADRP CCCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000620757002 460764608 /nfs/dbraw/zinc/76/46/08/460764608.db2.gz QPYRFDSEIHPVGI-QZTJIDSGSA-N 2 0 334.504 3.454 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000623903848 460769849 /nfs/dbraw/zinc/76/98/49/460769849.db2.gz PYFSOPXRTDHCMZ-CXAGYDPISA-N 2 0 328.859 3.413 20 0 EGADRP Cc1cn2ccc(C(=O)N3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)cc2n1 ZINC000635451476 460791445 /nfs/dbraw/zinc/79/14/45/460791445.db2.gz RZNNCZMMECUDSH-NUJGCVRESA-N 2 0 340.471 3.120 20 0 EGADRP C[C@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000629569004 460813578 /nfs/dbraw/zinc/81/35/78/460813578.db2.gz VOLBWKYYGSVURS-RPCJCACASA-N 2 0 330.516 3.395 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629655886 460849787 /nfs/dbraw/zinc/84/97/87/460849787.db2.gz LPQIWJDSARCFDM-INWMFGNUSA-N 2 0 330.394 3.258 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCCCC1 ZINC000632892560 460872299 /nfs/dbraw/zinc/87/22/99/460872299.db2.gz NKQJDWBABBQUSL-WMZOPIPTSA-N 2 0 342.487 3.029 20 0 EGADRP COCCOc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1 ZINC000629699753 460873380 /nfs/dbraw/zinc/87/33/80/460873380.db2.gz KMSRXLLMHPJDOP-UHFFFAOYSA-N 2 0 340.467 3.302 20 0 EGADRP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OC[C@@H](O)C[NH3+])cc2)cc1 ZINC000629702749 460876261 /nfs/dbraw/zinc/87/62/61/460876261.db2.gz UKOLSPCAJBIQFY-JXFKEZNVSA-N 2 0 340.467 3.036 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3(C[NH3+])CCCCC3)ccc21 ZINC000632952068 460904852 /nfs/dbraw/zinc/90/48/52/460904852.db2.gz DIGIOWCMBIJCIJ-QGZVFWFLSA-N 2 0 330.476 3.019 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000607935777 460940531 /nfs/dbraw/zinc/94/05/31/460940531.db2.gz UGKBOUSYHGZJLJ-QGZVFWFLSA-N 2 0 347.503 3.069 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000652348248 461141918 /nfs/dbraw/zinc/14/19/18/461141918.db2.gz YQVIOHJYPCFXLP-QKLQHJQFSA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ncc(-c4cccs4)o3)C2)C1 ZINC000652349353 461142010 /nfs/dbraw/zinc/14/20/10/461142010.db2.gz LMZPKLGDXGCFQC-ZNMIVQPWSA-N 2 0 347.484 3.121 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCc2c(F)cccc2Cl)C1 ZINC000652362370 461155836 /nfs/dbraw/zinc/15/58/36/461155836.db2.gz FQNUBKHBGIUURT-BVGQSLNGSA-N 2 0 340.870 3.382 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000668172329 461156568 /nfs/dbraw/zinc/15/65/68/461156568.db2.gz LDUANFGXKZWUAT-HQRMLTQVSA-N 2 0 332.488 3.016 20 0 EGADRP COc1cccc(SCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000662272928 461160595 /nfs/dbraw/zinc/16/05/95/461160595.db2.gz IJAYXMYGEILLFY-SJORKVTESA-N 2 0 334.529 3.499 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCc2nsc3ccccc32)C1 ZINC000662282923 461164715 /nfs/dbraw/zinc/16/47/15/461164715.db2.gz DNECLNWCORAWDB-FHLIZLRMSA-N 2 0 345.512 3.200 20 0 EGADRP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000662283758 461165772 /nfs/dbraw/zinc/16/57/72/461165772.db2.gz KMUABLDALMZSTI-INMHGKMJSA-N 2 0 338.879 3.209 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000662286614 461165944 /nfs/dbraw/zinc/16/59/44/461165944.db2.gz SAAIDTIJBVLTBK-JLJPHGGASA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291443 461167690 /nfs/dbraw/zinc/16/76/90/461167690.db2.gz SNCNKGYKUKTHHD-SJLPKXTDSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000662294561 461171945 /nfs/dbraw/zinc/17/19/45/461171945.db2.gz QUJGXGDBHBUAJS-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1C ZINC000662296412 461175632 /nfs/dbraw/zinc/17/56/32/461175632.db2.gz ZQNNUKZQFHCWLX-KRWDZBQOSA-N 2 0 349.544 3.323 20 0 EGADRP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662295640 461176155 /nfs/dbraw/zinc/17/61/55/461176155.db2.gz HJMFTBBDIMQPGX-GOSISDBHSA-N 2 0 340.471 3.257 20 0 EGADRP Cc1sc2[nH]c(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])nc(=O)c2c1C ZINC000662317583 461190541 /nfs/dbraw/zinc/19/05/41/461190541.db2.gz SCSLVNIAKAQZSD-BXUZGUMPSA-N 2 0 348.516 3.353 20 0 EGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc2c1C[NH2+]C2 ZINC000662345304 461201497 /nfs/dbraw/zinc/20/14/97/461201497.db2.gz XZBZBMNPNFZXHO-UHFFFAOYSA-N 2 0 341.499 3.208 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000662356329 461206460 /nfs/dbraw/zinc/20/64/60/461206460.db2.gz OHPDJWATGXUKPD-NRFANRHFSA-N 2 0 349.478 3.133 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000662357048 461206583 /nfs/dbraw/zinc/20/65/83/461206583.db2.gz YGVQYLMIUUWFOQ-OAQYLSRUSA-N 2 0 349.478 3.133 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@H]([NH2+]C(C)C)C3)c2cc1OC ZINC000665696660 461213839 /nfs/dbraw/zinc/21/38/39/461213839.db2.gz VFJUKQGDCFCZTC-AWEZNQCLSA-N 2 0 329.444 3.219 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000662398279 461232271 /nfs/dbraw/zinc/23/22/71/461232271.db2.gz SPOMUMBETZAHQY-IBGZPJMESA-N 2 0 337.552 3.112 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655446386 461253965 /nfs/dbraw/zinc/25/39/65/461253965.db2.gz RATSKTTYZHZQBM-CTNGQTDRSA-N 2 0 341.499 3.391 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662492599 461268052 /nfs/dbraw/zinc/26/80/52/461268052.db2.gz MNPBCXHUDMCXEF-APWZRJJASA-N 2 0 349.478 3.073 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000662525586 461281331 /nfs/dbraw/zinc/28/13/31/461281331.db2.gz VVIZRDBSOMUYDJ-UHFFFAOYSA-N 2 0 341.480 3.242 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000655495898 461281673 /nfs/dbraw/zinc/28/16/73/461281673.db2.gz ZFSUFTKPXPUJHU-QGZVFWFLSA-N 2 0 331.504 3.045 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1)C(C)C ZINC000646481544 461289890 /nfs/dbraw/zinc/28/98/90/461289890.db2.gz OOOTXJOUJKDYGN-QFBILLFUSA-N 2 0 331.504 3.082 20 0 EGADRP COC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC)c1 ZINC000668511244 461308913 /nfs/dbraw/zinc/30/89/13/461308913.db2.gz GPHZRMVRQUQLRW-FQEVSTJZSA-N 2 0 341.455 3.036 20 0 EGADRP CC1(C(=O)Nc2cccc(C[NH3+])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000646579550 461338936 /nfs/dbraw/zinc/33/89/36/461338936.db2.gz IIPSYNDHUXKUCN-UHFFFAOYSA-N 2 0 337.467 3.386 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638280404 461346485 /nfs/dbraw/zinc/34/64/85/461346485.db2.gz FJOPRXALYYLQKT-CEWLAPEOSA-N 2 0 327.516 3.428 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000638283355 461348114 /nfs/dbraw/zinc/34/81/14/461348114.db2.gz XKMMAUCMKPJHIK-UHFFFAOYSA-N 2 0 344.421 3.073 20 0 EGADRP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000662835401 461387165 /nfs/dbraw/zinc/38/71/65/461387165.db2.gz NNGXDYSMIRYDKH-GUDVDZBRSA-N 2 0 335.536 3.197 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000641818328 461388022 /nfs/dbraw/zinc/38/80/22/461388022.db2.gz ZHHBIGSWIHCJRH-UHFFFAOYSA-N 2 0 344.503 3.062 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638368305 461390043 /nfs/dbraw/zinc/39/00/43/461390043.db2.gz VLTUTSPCPFYIMZ-GOSISDBHSA-N 2 0 340.515 3.374 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)o1 ZINC000646785219 461409237 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C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631041085 461494233 /nfs/dbraw/zinc/49/42/33/461494233.db2.gz ITPPLJLIIHFXPX-MRXNPFEDSA-N 2 0 325.456 3.451 20 0 EGADRP COCCc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000631042624 461496505 /nfs/dbraw/zinc/49/65/05/461496505.db2.gz KHDKKJCUOXDLPV-HOTGVXAUSA-N 2 0 339.549 3.180 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000631042618 461496738 /nfs/dbraw/zinc/49/67/38/461496738.db2.gz KBLOYWGXSVCRSB-IAGOWNOFSA-N 2 0 331.504 3.493 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000653106198 461504549 /nfs/dbraw/zinc/50/45/49/461504549.db2.gz WSXPZWFVLBYGKL-QGTPRVQTSA-N 2 0 349.906 3.111 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653108151 461505059 /nfs/dbraw/zinc/50/50/59/461505059.db2.gz KPPXLVLCMHRHLW-AEFFLSMTSA-N 2 0 329.488 3.389 20 0 EGADRP O=c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c[nH]1 ZINC000631057635 461510515 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3.060 20 0 EGADRP CC(C)c1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000660141989 461606477 /nfs/dbraw/zinc/60/64/77/461606477.db2.gz ZTIWXMYEZHICAD-OAQYLSRUSA-N 2 0 329.532 3.410 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)O1 ZINC000666429375 461622205 /nfs/dbraw/zinc/62/22/05/461622205.db2.gz QWHYQVRJQRBOIB-ZHALLVOQSA-N 2 0 332.488 3.064 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663472193 461662633 /nfs/dbraw/zinc/66/26/33/461662633.db2.gz ZKJLNARUFNQDGR-IEBWSBKVSA-N 2 0 346.515 3.484 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2(CCC2)C1 ZINC000643296198 461671083 /nfs/dbraw/zinc/67/10/83/461671083.db2.gz GMUQUZZQPJBMKN-LJQANCHMSA-N 2 0 344.499 3.041 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000639001854 461674448 /nfs/dbraw/zinc/67/44/48/461674448.db2.gz POVQSUPKJJMIGB-OXJNMPFZSA-N 2 0 337.467 3.019 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000639085762 461719085 /nfs/dbraw/zinc/71/90/85/461719085.db2.gz IPAKIGCMPUJFEL-UYAOXDASSA-N 2 0 330.516 3.223 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1F ZINC000643453074 461730015 /nfs/dbraw/zinc/73/00/15/461730015.db2.gz FNFYXYUDDDBQOT-MWHZBGGUSA-N 2 0 349.469 3.301 20 0 EGADRP FC(F)(F)COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647483043 461731229 /nfs/dbraw/zinc/73/12/29/461731229.db2.gz UEPWVAYTIJWLSP-UHFFFAOYSA-N 2 0 328.378 3.344 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000647492136 461734979 /nfs/dbraw/zinc/73/49/79/461734979.db2.gz HQWFTQAUGNSYKL-AWEZNQCLSA-N 2 0 332.879 3.144 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000643480242 461741437 /nfs/dbraw/zinc/74/14/37/461741437.db2.gz KMXHTYNCVIKFHP-BQJUDKOJSA-N 3 0 327.516 3.019 20 0 EGADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000643528180 461754067 /nfs/dbraw/zinc/75/40/67/461754067.db2.gz FETGDYWZCWWXOG-BDAKNGLRSA-N 2 0 337.773 3.013 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Br ZINC000643534091 461755352 /nfs/dbraw/zinc/75/53/52/461755352.db2.gz LLQLJSAFJSLYNE-IINYFYTJSA-N 2 0 327.241 3.381 20 0 EGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536875 461756547 /nfs/dbraw/zinc/75/65/47/461756547.db2.gz XJQZPQGPDXBROM-GJZGRUSLSA-N 2 0 335.289 3.477 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OCC(F)(F)F)cc1 ZINC000643535890 461756888 /nfs/dbraw/zinc/75/68/88/461756888.db2.gz PTJWANRSPJMMLG-DOMZBBRYSA-N 2 0 328.378 3.420 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000647543205 461756911 /nfs/dbraw/zinc/75/69/11/461756911.db2.gz JHQLLLHZLFVLRQ-CVEARBPZSA-N 2 0 344.528 3.485 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000643536815 461757363 /nfs/dbraw/zinc/75/73/63/461757363.db2.gz WBBCEPGJEPPMTI-MHJFOBGBSA-N 3 0 327.516 3.161 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542776 461757602 /nfs/dbraw/zinc/75/76/02/461757602.db2.gz BPYOAYGTFBWMMR-ZWKOTPCHSA-N 2 0 332.536 3.467 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647543728 461760167 /nfs/dbraw/zinc/76/01/67/461760167.db2.gz RMJCZYIJVSNBSN-JKSUJKDBSA-N 2 0 328.460 3.190 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643548332 461760595 /nfs/dbraw/zinc/76/05/95/461760595.db2.gz NYJMUYQLLDVQHD-INMHGKMJSA-N 2 0 332.488 3.460 20 0 EGADRP Fc1cccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccn2)c1 ZINC000643549172 461761538 /nfs/dbraw/zinc/76/15/38/461761538.db2.gz LQBJNDCNASKXHG-QXOCSCLMSA-N 2 0 325.431 3.288 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000647551534 461764730 /nfs/dbraw/zinc/76/47/30/461764730.db2.gz TVVGWAHZCVBRKH-ZGMNHVEMSA-N 2 0 346.862 3.429 20 0 EGADRP CC1(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[NH2+]CC1 ZINC000666839657 461826800 /nfs/dbraw/zinc/82/68/00/461826800.db2.gz RMTPKVUFMPIWHW-UHFFFAOYSA-N 2 0 332.879 3.064 20 0 EGADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647784612 461832765 /nfs/dbraw/zinc/83/27/65/461832765.db2.gz ZXYLCGUVLNLKNN-FGTMMUONSA-N 2 0 329.488 3.149 20 0 EGADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791789 461836532 /nfs/dbraw/zinc/83/65/32/461836532.db2.gz MYIWOSNOQKGBSS-DZOHQFGASA-N 2 0 329.488 3.149 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000647794274 461838235 /nfs/dbraw/zinc/83/82/35/461838235.db2.gz WUEQKGXTRJOQLD-XWCCPHMRSA-N 2 0 333.907 3.063 20 0 EGADRP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647792900 461838250 /nfs/dbraw/zinc/83/82/50/461838250.db2.gz DPRWISDFZKHSDJ-DSLXNQLJSA-N 2 0 331.504 3.373 20 0 EGADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1cccc2ccccc21 ZINC000647814658 461849517 /nfs/dbraw/zinc/84/95/17/461849517.db2.gz YCFVCNQYJVXKTC-UHFFFAOYSA-N 2 0 337.467 3.385 20 0 EGADRP OC1CC[NH+](Cc2ccccc2CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000647870430 461865390 /nfs/dbraw/zinc/86/53/90/461865390.db2.gz SGPKCDGTGLKALV-UHFFFAOYSA-N 2 0 336.439 3.132 20 0 EGADRP COCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879573 461869209 /nfs/dbraw/zinc/86/92/09/461869209.db2.gz RJQQGJAIRRDAFK-UONOGXRCSA-N 2 0 330.394 3.324 20 0 EGADRP COc1cccc(C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000647882060 461869642 /nfs/dbraw/zinc/86/96/42/461869642.db2.gz HGGNDZIQQPKYRJ-OAQYLSRUSA-N 2 0 346.515 3.456 20 0 EGADRP Clc1ccc(Br)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952124 461884926 /nfs/dbraw/zinc/88/49/26/461884926.db2.gz GVZDNTIGPNWLSS-CYBMUJFWSA-N 2 0 329.669 3.334 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000666955409 461886346 /nfs/dbraw/zinc/88/63/46/461886346.db2.gz HMADFUWTZBCSLH-WGSAOQKQSA-N 3 0 345.531 3.016 20 0 EGADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647936650 461893747 /nfs/dbraw/zinc/89/37/47/461893747.db2.gz JDBNPGPQANQPTD-SWLSCSKDSA-N 2 0 343.393 3.093 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000656784011 461894048 /nfs/dbraw/zinc/89/40/48/461894048.db2.gz XJUPVOXCGWEXNI-QGZVFWFLSA-N 2 0 342.487 3.200 20 0 EGADRP Clc1ccc2ncc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2c1 ZINC000656783932 461894533 /nfs/dbraw/zinc/89/45/33/461894533.db2.gz BJSCIHUNALFPHF-HNNXBMFYSA-N 2 0 332.879 3.199 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000656787769 461897754 /nfs/dbraw/zinc/89/77/54/461897754.db2.gz UPEQZROUQWGBAY-QBPKDAKJSA-N 2 0 333.907 3.144 20 0 EGADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706068 461900319 /nfs/dbraw/zinc/90/03/19/461900319.db2.gz CUWXSIGIAUQVQD-IRFCIJBXSA-N 2 0 346.515 3.440 20 0 EGADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2n1 ZINC000650707311 461900996 /nfs/dbraw/zinc/90/09/96/461900996.db2.gz CRLCOIWORFIVNU-ZVDOUQERSA-N 2 0 339.483 3.262 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995641 461903301 /nfs/dbraw/zinc/90/33/01/461903301.db2.gz UUIMQJNQFGMQGY-CJNGLKHVSA-N 2 0 335.879 3.321 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654994 461906288 /nfs/dbraw/zinc/90/62/88/461906288.db2.gz JXLQMSBCMFIGPQ-KXBFYZLASA-N 2 0 326.444 3.215 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717613 461909687 /nfs/dbraw/zinc/90/96/87/461909687.db2.gz HEUHHGCCDDJFAH-KXBFYZLASA-N 2 0 327.447 3.210 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccc(C[NH3+])cc3F)CC2)C1 ZINC000650717852 461909789 /nfs/dbraw/zinc/90/97/89/461909789.db2.gz OOZYLVYCHUVKNZ-BEFAXECRSA-N 2 0 333.495 3.417 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000650721863 461912853 /nfs/dbraw/zinc/91/28/53/461912853.db2.gz DLWAXDSPOALXDJ-HYVNUMGLSA-N 2 0 340.414 3.149 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000650723641 461915963 /nfs/dbraw/zinc/91/59/63/461915963.db2.gz RHQBFKAQCMJNHP-OIISXLGYSA-N 2 0 326.843 3.340 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975429 461916616 /nfs/dbraw/zinc/91/66/16/461916616.db2.gz AFWQPZAKEKZRSG-RCCFBDPRSA-N 2 0 329.488 3.034 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974966 461916892 /nfs/dbraw/zinc/91/68/92/461916892.db2.gz DRDZJZMQNOKIGO-BZUAXINKSA-N 2 0 349.906 3.379 20 0 EGADRP c1csc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976751 461919471 /nfs/dbraw/zinc/91/94/71/461919471.db2.gz SZVPSVATACJKMM-ZIAGYGMSSA-N 2 0 332.473 3.010 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977949 461920774 /nfs/dbraw/zinc/92/07/74/461920774.db2.gz KCLLBRAVDFGTHI-UHOSZYNNSA-N 2 0 343.515 3.288 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)OCCCO2 ZINC000650752733 461934272 /nfs/dbraw/zinc/93/42/72/461934272.db2.gz ZEVRJPUKEIGJFH-CYBMUJFWSA-N 2 0 330.403 3.297 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000650753311 461935161 /nfs/dbraw/zinc/93/51/61/461935161.db2.gz LBNRFCLQZJKBCN-HNNXBMFYSA-N 3 0 345.462 3.076 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c(Cl)c1 ZINC000650764450 461941729 /nfs/dbraw/zinc/94/17/29/461941729.db2.gz YYUJZPIVKFRPGA-CQSZACIVSA-N 2 0 337.895 3.345 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC2(CCC2)O1 ZINC000648074272 461969578 /nfs/dbraw/zinc/96/95/78/461969578.db2.gz JGKSCPDGMCJESG-GOSISDBHSA-N 2 0 344.499 3.305 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000644527428 461971044 /nfs/dbraw/zinc/97/10/44/461971044.db2.gz SYCRXYXOYPRNBP-IBGZPJMESA-N 2 0 348.531 3.045 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657313417 462038559 /nfs/dbraw/zinc/03/85/59/462038559.db2.gz QMZNUXUJAZQXDL-OAQYLSRUSA-N 2 0 346.515 3.456 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657348115 462062489 /nfs/dbraw/zinc/06/24/89/462062489.db2.gz KXFXMQCJPISSBE-ICSRJNTNSA-N 2 0 332.488 3.064 20 0 EGADRP Cn1cnc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000639727686 462078614 /nfs/dbraw/zinc/07/86/14/462078614.db2.gz XLJGHSLHNMSXRB-UHFFFAOYSA-N 2 0 338.499 3.298 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000648428776 462115843 /nfs/dbraw/zinc/11/58/43/462115843.db2.gz YMCKTZAMDFEWBK-CTNGQTDRSA-N 2 0 345.531 3.136 20 0 EGADRP Cc1c(Br)cncc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000657450671 462133214 /nfs/dbraw/zinc/13/32/14/462133214.db2.gz YKXDHHVVJSZVAK-UHFFFAOYSA-N 2 0 338.293 3.117 20 0 EGADRP Cc1cccc2[nH]c(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc21 ZINC000667608530 462171432 /nfs/dbraw/zinc/17/14/32/462171432.db2.gz JGAUDIAWSPHZMC-INIZCTEOSA-N 2 0 329.488 3.001 20 0 EGADRP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000645076846 462171851 /nfs/dbraw/zinc/17/18/51/462171851.db2.gz ZEOSZPGOQZCWTQ-NRFANRHFSA-N 2 0 348.506 3.317 20 0 EGADRP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)C1CC[NH+](C)CC1 ZINC000651358901 462193771 /nfs/dbraw/zinc/19/37/71/462193771.db2.gz OMWSLIUHJBBIHI-CQSZACIVSA-N 2 0 332.879 3.346 20 0 EGADRP c1nc(C2CC2)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657612616 462204020 /nfs/dbraw/zinc/20/40/20/462204020.db2.gz BHJXNWAMBFDVNH-UHFFFAOYSA-N 2 0 342.512 3.417 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000667732559 462236844 /nfs/dbraw/zinc/23/68/44/462236844.db2.gz MXBNTKVMDFECMP-LJQANCHMSA-N 2 0 340.471 3.132 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812476 462279457 /nfs/dbraw/zinc/27/94/57/462279457.db2.gz DEBSJJMXYYHARG-XMSQKQJNSA-N 2 0 341.543 3.219 20 0 EGADRP COc1cc2c(c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c1)O[C@@H](C)C2 ZINC000657813308 462279929 /nfs/dbraw/zinc/27/99/29/462279929.db2.gz NZIXHRSWMDWOSW-HNNXBMFYSA-N 2 0 344.499 3.230 20 0 EGADRP c1csc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812526 462280004 /nfs/dbraw/zinc/28/00/04/462280004.db2.gz RJQIPCNYRZXULM-UHFFFAOYSA-N 2 0 330.501 3.350 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651647144 462287673 /nfs/dbraw/zinc/28/76/73/462287673.db2.gz CIRRLWACZAAZSM-UHFFFAOYSA-N 2 0 345.487 3.398 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657833927 462289989 /nfs/dbraw/zinc/28/99/89/462289989.db2.gz XHHIXEPCQSXBHZ-SFHVURJKSA-N 2 0 337.939 3.277 20 0 EGADRP COC[C@@H](CC(C)(C)C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000651663190 462294591 /nfs/dbraw/zinc/29/45/91/462294591.db2.gz BRELUTZRHHDMGH-UXHICEINSA-N 2 0 347.547 3.016 20 0 EGADRP OCCN1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657942942 462324522 /nfs/dbraw/zinc/32/45/22/462324522.db2.gz GHYUXILKBWIBDT-IEBWSBKVSA-N 2 0 336.907 3.413 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C1CC[NH+](C)CC1 ZINC000645495127 462347453 /nfs/dbraw/zinc/34/74/53/462347453.db2.gz XBMKGJSFJCUZNV-CABCVRRESA-N 2 0 330.451 3.392 20 0 EGADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068302 462366114 /nfs/dbraw/zinc/36/61/14/462366114.db2.gz VXOMTESZHAWZLA-HXUWFJFHSA-N 2 0 344.499 3.381 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000658092966 462379971 /nfs/dbraw/zinc/37/99/71/462379971.db2.gz SOVIMQTYJRLPPY-MISYRCLQSA-N 2 0 329.532 3.359 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)n1 ZINC000665291877 462388361 /nfs/dbraw/zinc/38/83/61/462388361.db2.gz NGFFEKSUGNVJGH-CQSZACIVSA-N 2 0 340.452 3.023 20 0 EGADRP CC(C)N(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649064864 462396325 /nfs/dbraw/zinc/39/63/25/462396325.db2.gz CUXGNMHPSWOHSP-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000649276921 462465906 /nfs/dbraw/zinc/46/59/06/462465906.db2.gz SOXCBWZXMCVQQE-GOSISDBHSA-N 2 0 329.488 3.388 20 0 EGADRP CCCCc1nc2cc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)ccc2[nH]1 ZINC000649297601 462470725 /nfs/dbraw/zinc/47/07/25/462470725.db2.gz GMFBDGKVMBGRFU-GFCCVEGCSA-N 2 0 336.386 3.089 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000645964474 462479995 /nfs/dbraw/zinc/47/99/95/462479995.db2.gz ZJMNGFULFDVQQK-YZGWKJHDSA-N 2 0 345.531 3.400 20 0 EGADRP CC(C)C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)[NH2+][C@H](C)c1ccccc1 ZINC000645964376 462480078 /nfs/dbraw/zinc/48/00/78/462480078.db2.gz GSOWRULTZRVKEW-WBVHZDCISA-N 2 0 343.471 3.234 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000658357992 462488467 /nfs/dbraw/zinc/48/84/67/462488467.db2.gz SLEKGZQTUHYPOQ-HNNXBMFYSA-N 2 0 332.488 3.476 20 0 EGADRP COc1cccc2c1CC[C@@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)C2 ZINC000658356861 462489078 /nfs/dbraw/zinc/48/90/78/462489078.db2.gz PVRUVXPDGRAJPO-LJQANCHMSA-N 2 0 328.500 3.264 20 0 EGADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)C1 ZINC000662150917 462531887 /nfs/dbraw/zinc/53/18/87/462531887.db2.gz CBHHHDQKXUNTNA-ZOGYUUGASA-N 2 0 342.527 3.491 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(C)c1 ZINC000158503876 534226604 /nfs/dbraw/zinc/22/66/04/534226604.db2.gz JNFBPNZJYMYWMA-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000180987135 534397970 /nfs/dbraw/zinc/39/79/70/534397970.db2.gz MNEXMRPCBJPBEU-HXUWFJFHSA-N 2 0 349.478 3.414 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177969155 534448194 /nfs/dbraw/zinc/44/81/94/534448194.db2.gz OCIXGJFOVCRRSQ-LQWHRVPQSA-N 2 0 329.532 3.012 20 0 EGADRP CC(=O)c1ccc(NC(=O)CCN(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000264184956 534857207 /nfs/dbraw/zinc/85/72/07/534857207.db2.gz CRICJMUCOAAUDW-UHFFFAOYSA-N 2 0 345.487 3.022 20 0 EGADRP CC(C)[C@@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163948966 528420145 /nfs/dbraw/zinc/42/01/45/528420145.db2.gz SJYKIRWANNXXAX-QGZVFWFLSA-N 2 0 334.504 3.310 20 0 EGADRP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000175164339 528806195 /nfs/dbraw/zinc/80/61/95/528806195.db2.gz YVGKJBDKKFCURX-SFHVURJKSA-N 2 0 345.531 3.086 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000154502411 529143686 /nfs/dbraw/zinc/14/36/86/529143686.db2.gz OQJOZVSBSMIVDA-OAHLLOKOSA-N 2 0 325.447 3.033 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000183705846 529144711 /nfs/dbraw/zinc/14/47/11/529144711.db2.gz GPFFLLNPYAASBV-UHFFFAOYSA-N 2 0 335.495 3.374 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000347034525 535361770 /nfs/dbraw/zinc/36/17/70/535361770.db2.gz BXPONBZQEMSWJH-HNNXBMFYSA-N 2 0 349.494 3.073 20 0 EGADRP COc1cc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1O ZINC000089727949 546649008 /nfs/dbraw/zinc/64/90/08/546649008.db2.gz AZWZAGRDIKCLSL-UHFFFAOYSA-N 2 0 332.488 3.330 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)C1CC[NH+](C)CC1 ZINC000090911658 546661357 /nfs/dbraw/zinc/66/13/57/546661357.db2.gz DUMABQVMRVMGIM-LSDHHAIUSA-N 2 0 328.460 3.160 20 0 EGADRP CC[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000123133699 546738670 /nfs/dbraw/zinc/73/86/70/546738670.db2.gz KFVUCWJIVXSTAK-LAUBAEHRSA-N 2 0 329.532 3.143 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000125041791 546749340 /nfs/dbraw/zinc/74/93/40/546749340.db2.gz SFCXUPMKJFEPSB-NQIIRXRSSA-N 2 0 329.532 3.452 20 0 EGADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000153395848 546879740 /nfs/dbraw/zinc/87/97/40/546879740.db2.gz KLERXPWKXGNGJW-FXAWDEMLSA-N 2 0 345.531 3.152 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000161595779 546958598 /nfs/dbraw/zinc/95/85/98/546958598.db2.gz GXDJHLKOYVYKAE-HNNXBMFYSA-N 2 0 344.503 3.496 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166204166 546987219 /nfs/dbraw/zinc/98/72/19/546987219.db2.gz WCEIEVVERXXTSA-LEWJYISDSA-N 3 0 327.516 3.176 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000179909884 547050528 /nfs/dbraw/zinc/05/05/28/547050528.db2.gz LUGLMLLQGAYEOI-WOJBJXKFSA-N 2 0 343.559 3.455 20 0 EGADRP CN(C(=O)CCCCCC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000261558414 547324459 /nfs/dbraw/zinc/32/44/59/547324459.db2.gz SJCUHFSZDJEXPL-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000279994309 547369049 /nfs/dbraw/zinc/36/90/49/547369049.db2.gz FNMLEZLBOSXOIU-SFHVURJKSA-N 2 0 332.488 3.403 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000322612884 547470498 /nfs/dbraw/zinc/47/04/98/547470498.db2.gz PETXZKVTNZMZAW-HNNXBMFYSA-N 2 0 335.561 3.304 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000324518040 547473115 /nfs/dbraw/zinc/47/31/15/547473115.db2.gz WBHHNEFJOMKXFG-MRXNPFEDSA-N 2 0 329.488 3.418 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000339066900 547568807 /nfs/dbraw/zinc/56/88/07/547568807.db2.gz JABLVGHPNQXDAB-HKBOAZHASA-N 2 0 327.516 3.348 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000339240177 547571875 /nfs/dbraw/zinc/57/18/75/547571875.db2.gz ONGHNUVVUKTWGX-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000339253879 547572975 /nfs/dbraw/zinc/57/29/75/547572975.db2.gz FLYNXPRFRYCAOS-FUHWJXTLSA-N 2 0 347.503 3.106 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000339248781 547572995 /nfs/dbraw/zinc/57/29/95/547572995.db2.gz BEDYQIIZZIYDGU-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000352089166 547680310 /nfs/dbraw/zinc/68/03/10/547680310.db2.gz HZAKMFQQEJNDTO-SCTDSRPQSA-N 2 0 348.535 3.016 20 0 EGADRP CO[C@@]1(C)CCC[NH+](CCC[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000366491699 547782788 /nfs/dbraw/zinc/78/27/88/547782788.db2.gz SOYMAYJMMITEOS-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414925817 547861340 /nfs/dbraw/zinc/86/13/40/547861340.db2.gz MIRJQBSBVDICOZ-RAIGVLPGSA-N 2 0 329.257 3.379 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000414928097 547861845 /nfs/dbraw/zinc/86/18/45/547861845.db2.gz PVIBCILQZRXSTF-HUUCEWRRSA-N 2 0 338.377 3.455 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422799499 547881640 /nfs/dbraw/zinc/88/16/40/547881640.db2.gz XANMNCWEXWSMNT-VHKYSDTDSA-N 2 0 344.430 3.460 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccco1)c1cc[nH+]c2c(O)cccc12 ZINC000672338370 548426746 /nfs/dbraw/zinc/42/67/46/548426746.db2.gz HLJGLUJYPYXFIU-UHFFFAOYSA-N 2 0 325.412 3.492 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000673852066 548639267 /nfs/dbraw/zinc/63/92/67/548639267.db2.gz ZYOAMQZHOWMFNH-UHFFFAOYSA-N 2 0 338.455 3.183 20 0 EGADRP Cc1ccc(C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)cc1 ZINC000675876632 548995850 /nfs/dbraw/zinc/99/58/50/548995850.db2.gz YGDJCTOIJZEJOG-UNMCSNQZSA-N 2 0 343.559 3.320 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000676709719 549132828 /nfs/dbraw/zinc/13/28/28/549132828.db2.gz XOFCGCNUCYQMRK-FQEVSTJZSA-N 2 0 343.559 3.498 20 0 EGADRP C([NH+]1CCC[C@H](C2CC2)C1)C1(C[N@@H+]2CCC[C@H](C3CC3)C2)COC1 ZINC000677040852 549197197 /nfs/dbraw/zinc/19/71/97/549197197.db2.gz ZJKHVDHEFCSTHB-PMACEKPBSA-N 2 0 332.532 3.247 20 0 EGADRP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677236859 549234837 /nfs/dbraw/zinc/23/48/37/549234837.db2.gz KHRHDFADQJRUPJ-CABCVRRESA-N 2 0 328.378 3.344 20 0 EGADRP CCC[N@@H+]1CC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748457 549325134 /nfs/dbraw/zinc/32/51/34/549325134.db2.gz NXVLDNXUUXXUSU-PMACEKPBSA-N 2 0 329.532 3.361 20 0 EGADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678122389 549402067 /nfs/dbraw/zinc/40/20/67/549402067.db2.gz MZRWFJQRWYNJTM-HKUYNNGSSA-N 2 0 332.488 3.161 20 0 EGADRP C[C@H]1[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1(C)C ZINC000678271152 549453689 /nfs/dbraw/zinc/45/36/89/549453689.db2.gz PDYXHZFRRYFWDC-QGZVFWFLSA-N 2 0 332.488 3.161 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(C)n1 ZINC000678413177 549486724 /nfs/dbraw/zinc/48/67/24/549486724.db2.gz FOCYMQUNILNJPD-INIZCTEOSA-N 2 0 327.472 3.490 20 0 EGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000678802837 549564506 /nfs/dbraw/zinc/56/45/06/549564506.db2.gz CWCRZSPHBPERRY-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(O)cc3)CC2)cc1 ZINC000679392687 549702709 /nfs/dbraw/zinc/70/27/09/549702709.db2.gz FDFBIYKKEKMTKZ-UHFFFAOYSA-N 2 0 340.467 3.403 20 0 EGADRP C[C@H]1CCSCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683001926 550176908 /nfs/dbraw/zinc/17/69/08/550176908.db2.gz ZSJXGVMFMSSICR-KRWDZBQOSA-N 2 0 334.529 3.489 20 0 EGADRP CO[C@@]1(C)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684411083 550326654 /nfs/dbraw/zinc/32/66/54/550326654.db2.gz FRQQDLLFOZYMND-FQEVSTJZSA-N 2 0 332.488 3.162 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000684888981 550380995 /nfs/dbraw/zinc/38/09/95/550380995.db2.gz OABSCAZTOSOHPI-QGZVFWFLSA-N 2 0 339.483 3.407 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+]([C@H]3CCOC3)CC2)c1C ZINC000684892029 550381227 /nfs/dbraw/zinc/38/12/27/550381227.db2.gz ZUOYRZIRLHNLLW-INIZCTEOSA-N 2 0 325.456 3.017 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000684953453 550387745 /nfs/dbraw/zinc/38/77/45/550387745.db2.gz GAQGDDOKWJQPEE-MOPGFXCFSA-N 2 0 344.547 3.032 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H](C)C1 ZINC000221892763 564036513 /nfs/dbraw/zinc/03/65/13/564036513.db2.gz YARCBWICIVYVGR-LPHOPBHVSA-N 2 0 334.479 3.194 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000731042560 575046415 /nfs/dbraw/zinc/04/64/15/575046415.db2.gz ZCBDMBKFJDJQRO-OAHLLOKOSA-N 2 0 340.496 3.494 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000741796696 575438659 /nfs/dbraw/zinc/43/86/59/575438659.db2.gz WSCPPIKUCZEUKA-IKGGRYGDSA-N 2 0 339.524 3.048 20 0 EGADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000741282741 576671579 /nfs/dbraw/zinc/67/15/79/576671579.db2.gz LKFUVCJYAYXTKB-UHFFFAOYSA-N 2 0 339.483 3.082 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C[C@@H](CC(C)C)CC2=O)CC1 ZINC000744434336 576828206 /nfs/dbraw/zinc/82/82/06/576828206.db2.gz LXJAKLZDRDXDDG-IBGZPJMESA-N 2 0 337.552 3.282 20 0 EGADRP CC(C)(C)OC(=O)NCc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000305890189 1297065434 /nfs/dbraw/zinc/06/54/34/1297065434.db2.gz SGNXBNQVNFHLMM-IRXDYDNUSA-N 2 0 333.476 3.071 20 0 EGADRP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000877969460 1299675518 /nfs/dbraw/zinc/67/55/18/1299675518.db2.gz BEBKFRNUIGRKNK-IBGZPJMESA-N 2 0 331.504 3.010 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C)s2)CC1 ZINC000061070226 1291959499 /nfs/dbraw/zinc/95/94/99/1291959499.db2.gz LACHPJNTHVLCRL-UHFFFAOYSA-N 2 0 343.540 3.484 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000067671669 1292167468 /nfs/dbraw/zinc/16/74/68/1292167468.db2.gz REJKYKUTCIBHHY-CYBMUJFWSA-N 2 0 330.303 3.109 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)C[NH+]1CCCC1 ZINC000069752103 1292251399 /nfs/dbraw/zinc/25/13/99/1292251399.db2.gz BWSABLSCEPEIHJ-SFHVURJKSA-N 2 0 339.483 3.482 20 0 EGADRP CCC(CC)(CNC(=O)C[C@@H]([NH3+])C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000829237430 1292555808 /nfs/dbraw/zinc/55/58/08/1292555808.db2.gz YSVDZRLKRIJRKL-CRAIPNDOSA-N 2 0 331.504 3.140 20 0 EGADRP c1ncn(-c2ccc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cc2)n1 ZINC000080373654 1292597396 /nfs/dbraw/zinc/59/73/96/1292597396.db2.gz GMEWXGIMGAPOAM-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000085312628 1292720044 /nfs/dbraw/zinc/72/00/44/1292720044.db2.gz NFOHPUGIICFTCO-QHCPKHFHSA-N 2 0 330.497 3.166 20 0 EGADRP CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000089632410 1292773396 /nfs/dbraw/zinc/77/33/96/1292773396.db2.gz QAQYGBJAKCTHLD-YJBOKZPZSA-N 2 0 345.487 3.196 20 0 EGADRP CC[C@@H]1CN(C(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000832008331 1292944560 /nfs/dbraw/zinc/94/45/60/1292944560.db2.gz BBYICRBVGHEDPZ-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP CC[C@H]1CN(C(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000832008330 1292944883 /nfs/dbraw/zinc/94/48/83/1292944883.db2.gz BBYICRBVGHEDPZ-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000105459641 1293038571 /nfs/dbraw/zinc/03/85/71/1293038571.db2.gz QMMLLZFOSOHGHF-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP Cc1ncc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000105462889 1293038603 /nfs/dbraw/zinc/03/86/03/1293038603.db2.gz QDHXKRDCWBEJNS-CYBMUJFWSA-N 2 0 348.491 3.193 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000105459057 1293039249 /nfs/dbraw/zinc/03/92/49/1293039249.db2.gz NYOYVKCDZZKHLN-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(Br)nc1 ZINC000834908936 1293173081 /nfs/dbraw/zinc/17/30/81/1293173081.db2.gz MWGQSLYPMNJKPM-LBPRGKRZSA-N 2 0 326.282 3.369 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000118772047 1293243058 /nfs/dbraw/zinc/24/30/58/1293243058.db2.gz SESLRMQSZDJJEG-FQEVSTJZSA-N 2 0 345.531 3.406 20 0 EGADRP CC(C)C[C@@H](C[NH+](C)C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000121728629 1293386629 /nfs/dbraw/zinc/38/66/29/1293386629.db2.gz TXETUSHKZHZMRQ-NRFANRHFSA-N 2 0 331.548 3.259 20 0 EGADRP CCCOc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000126027155 1293522846 /nfs/dbraw/zinc/52/28/46/1293522846.db2.gz WADOKRXCIWDFPV-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132469513 1293720133 /nfs/dbraw/zinc/72/01/33/1293720133.db2.gz OSUQSBHHERQXGO-PXNSSMCTSA-N 2 0 333.520 3.008 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000151141540 1293910494 /nfs/dbraw/zinc/91/04/94/1293910494.db2.gz FJBQKNQVOMRDDM-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000152595412 1293975864 /nfs/dbraw/zinc/97/58/64/1293975864.db2.gz YKYFMCBSIKGPNC-UHFFFAOYSA-N 2 0 348.450 3.071 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000153426495 1294012848 /nfs/dbraw/zinc/01/28/48/1294012848.db2.gz YWTXGKJZFJJBNL-VQIMIIECSA-N 2 0 348.450 3.117 20 0 EGADRP CC1(C)C(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1(C)C ZINC000155082452 1294083093 /nfs/dbraw/zinc/08/30/93/1294083093.db2.gz KRKVNVLTZIPIPD-UHFFFAOYSA-N 2 0 335.536 3.179 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(C)nc1 ZINC000155432237 1294096758 /nfs/dbraw/zinc/09/67/58/1294096758.db2.gz JYAIYXKVJJAQHD-UHFFFAOYSA-N 2 0 327.472 3.400 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC000157359050 1294175897 /nfs/dbraw/zinc/17/58/97/1294175897.db2.gz QRPMZZKJMLYZNJ-IAGOWNOFSA-N 2 0 334.504 3.489 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000158228782 1294199708 /nfs/dbraw/zinc/19/97/08/1294199708.db2.gz OGCOZTIXSSOACR-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)C3([NH+](C)C)CCC3)cc2)CC1 ZINC000158745063 1294213756 /nfs/dbraw/zinc/21/37/56/1294213756.db2.gz BERRXILXVNPSII-UHFFFAOYSA-N 2 0 329.488 3.341 20 0 EGADRP c1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(C[NH+]2CCCC2)c1 ZINC000161775709 1294299365 /nfs/dbraw/zinc/29/93/65/1294299365.db2.gz INVXTRIVMGNSBH-UHFFFAOYSA-N 2 0 330.472 3.058 20 0 EGADRP C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190334047 1295583158 /nfs/dbraw/zinc/58/31/58/1295583158.db2.gz RNSZQWQOYKQFAJ-AEFFLSMTSA-N 2 0 336.520 3.162 20 0 EGADRP CC[NH+]1CCC(NCc2cccc(OCc3ccccn3)c2)CC1 ZINC000236921364 1296212216 /nfs/dbraw/zinc/21/22/16/1296212216.db2.gz LSKOLGMIDGRNPJ-UHFFFAOYSA-N 2 0 325.456 3.235 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(C)c2)C1 ZINC000237686507 1296258919 /nfs/dbraw/zinc/25/89/19/1296258919.db2.gz LEAFTYSSUHIHBE-CALCHBBNSA-N 2 0 326.488 3.188 20 0 EGADRP COc1ccc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)sc2c1 ZINC000261799730 1296603307 /nfs/dbraw/zinc/60/33/07/1296603307.db2.gz GUOBTMVTBBIXBT-OAHLLOKOSA-N 2 0 331.485 3.269 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261850550 1296604948 /nfs/dbraw/zinc/60/49/48/1296604948.db2.gz ZXGCJXZDXVKBEE-KRWDZBQOSA-N 2 0 335.879 3.051 20 0 EGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1)C1CCCC1 ZINC000872158017 1296775637 /nfs/dbraw/zinc/77/56/37/1296775637.db2.gz RURULJOEWPVHGL-FOIQADDNSA-N 2 0 334.479 3.438 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000302093656 1296797772 /nfs/dbraw/zinc/79/77/72/1296797772.db2.gz GBMYPQGCNIXXFR-KRWDZBQOSA-N 2 0 339.524 3.001 20 0 EGADRP CCC[N@H+](CC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000309947406 1297079589 /nfs/dbraw/zinc/07/95/89/1297079589.db2.gz PETCCDVNJZOFRA-UHFFFAOYSA-N 2 0 329.532 3.363 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000310036648 1297084104 /nfs/dbraw/zinc/08/41/04/1297084104.db2.gz WADIFGACBGLBJO-KRWDZBQOSA-N 2 0 341.540 3.105 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000321847181 1297182645 /nfs/dbraw/zinc/18/26/45/1297182645.db2.gz BIYKDTKSRAATLT-LUKYLMHMSA-N 2 0 337.508 3.039 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)CC1 ZINC000340464382 1297312590 /nfs/dbraw/zinc/31/25/90/1297312590.db2.gz OLCWHMVSMZDPPO-OTWHNJEPSA-N 2 0 333.524 3.110 20 0 EGADRP OC[C@@H](C1CC1)[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873209269 1297352534 /nfs/dbraw/zinc/35/25/34/1297352534.db2.gz JEQQLXVIMTVVCZ-IBGZPJMESA-N 2 0 342.508 3.167 20 0 EGADRP CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213138 1297354780 /nfs/dbraw/zinc/35/47/80/1297354780.db2.gz XSPCBKNLNVFYSZ-QGZVFWFLSA-N 2 0 327.497 3.105 20 0 EGADRP COc1cc(C)c(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cc1OC ZINC000873232533 1297375011 /nfs/dbraw/zinc/37/50/11/1297375011.db2.gz GHJSFYPAWMXLPP-IBGZPJMESA-N 2 0 332.488 3.414 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000873250400 1297391957 /nfs/dbraw/zinc/39/19/57/1297391957.db2.gz HGPWONCVTXESNZ-DIECFANBSA-N 2 0 336.451 3.162 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000873255512 1297392973 /nfs/dbraw/zinc/39/29/73/1297392973.db2.gz GXCUEEBXENDLOE-DJSGYFEHSA-N 2 0 335.245 3.458 20 0 EGADRP Brc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000873281380 1297407233 /nfs/dbraw/zinc/40/72/33/1297407233.db2.gz IEISHSHJYBWYHP-XYPWUTKMSA-N 2 0 335.289 3.353 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)ccc1F ZINC000873293390 1297416153 /nfs/dbraw/zinc/41/61/53/1297416153.db2.gz LRHYGUVOKWWTSM-MAUKXSAKSA-N 2 0 338.442 3.410 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379615034 1297535118 /nfs/dbraw/zinc/53/51/18/1297535118.db2.gz AAYUNSNICUCMON-FOIQADDNSA-N 2 0 348.437 3.498 20 0 EGADRP CCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000382945692 1297566501 /nfs/dbraw/zinc/56/65/01/1297566501.db2.gz RTOYYLUAFOTHHO-FQEVSTJZSA-N 3 0 329.532 3.363 20 0 EGADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000493992933 1297949637 /nfs/dbraw/zinc/94/96/37/1297949637.db2.gz REGPLNTZOIZQHM-ROUUACIJSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000498212443 1297953654 /nfs/dbraw/zinc/95/36/54/1297953654.db2.gz OXPULMUAOQFHSG-MJGOQNOKSA-N 2 0 335.536 3.199 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700802419 1298180129 /nfs/dbraw/zinc/18/01/29/1298180129.db2.gz IWGRHKGUANXJBL-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000715558560 1298279485 /nfs/dbraw/zinc/27/94/85/1298279485.db2.gz PNUBQYVREVJXRW-HZPDHXFCSA-N 2 0 341.540 3.484 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000715551188 1298280175 /nfs/dbraw/zinc/28/01/75/1298280175.db2.gz GOZAQRLGPXRZSZ-HZMVEIRTSA-N 2 0 339.524 3.237 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000715514697 1298280434 /nfs/dbraw/zinc/28/04/34/1298280434.db2.gz WKFULXUXLQKOHO-KGLIPLIRSA-N 2 0 341.293 3.420 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]12CCC[C@@H]1OCC2 ZINC000720142231 1298326167 /nfs/dbraw/zinc/32/61/67/1298326167.db2.gz KDIBNBTVQAVFFD-HZEGPAAWSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000725893336 1298384191 /nfs/dbraw/zinc/38/41/91/1298384191.db2.gz XHTZEHOZOGKYGP-KZNAEPCWSA-N 2 0 349.563 3.409 20 0 EGADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857192223 1328524461 /nfs/dbraw/zinc/52/44/61/1328524461.db2.gz FCVAICOPVSNXOZ-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000876863107 1299040659 /nfs/dbraw/zinc/04/06/59/1299040659.db2.gz XSCUXIFEYHHPON-ZWKOTPCHSA-N 2 0 343.858 3.001 20 0 EGADRP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000877031560 1299121148 /nfs/dbraw/zinc/12/11/48/1299121148.db2.gz XXIMQPYTKBYWDZ-ILZDJORESA-N 2 0 343.515 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877448022 1299308363 /nfs/dbraw/zinc/30/83/63/1299308363.db2.gz CAVMWIXWNKHQHZ-BHIYHBOVSA-N 2 0 335.536 3.007 20 0 EGADRP [NH3+][C@H](CC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)c1ccccc1 ZINC000877452839 1299312097 /nfs/dbraw/zinc/31/20/97/1299312097.db2.gz SITDZTTUVMXKBR-FFZOFVMBSA-N 2 0 343.515 3.223 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC000877683919 1299478364 /nfs/dbraw/zinc/47/83/64/1299478364.db2.gz BFSAYXRLRBOWFQ-UHFFFAOYSA-N 2 0 342.462 3.319 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccnc(N(C)C)c2)CC1)CC1CC1 ZINC000754098235 1300086057 /nfs/dbraw/zinc/08/60/57/1300086057.db2.gz VIWAZMPYOWVTDC-UHFFFAOYSA-N 2 0 344.547 3.482 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250448 1300453791 /nfs/dbraw/zinc/45/37/91/1300453791.db2.gz VTMOVQJLIHCHOL-UHFFFAOYSA-N 2 0 347.478 3.271 20 0 EGADRP Cc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000882725606 1302080802 /nfs/dbraw/zinc/08/08/02/1302080802.db2.gz WVSUCXKDOLMPKD-QGZVFWFLSA-N 2 0 325.456 3.281 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+][C@H](Cn2ccnc2)c2ccccc2)cn1 ZINC000883388092 1302426254 /nfs/dbraw/zinc/42/62/54/1302426254.db2.gz LWYDAOSYBWPVAC-VQIMIIECSA-N 2 0 336.439 3.249 20 0 EGADRP CC(C)[C@H](CC[N@H+](C)CC[C@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000767413291 1302665403 /nfs/dbraw/zinc/66/54/03/1302665403.db2.gz ASIFTDUIYQPGNR-SJORKVTESA-N 2 0 341.540 3.342 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000884329062 1302816639 /nfs/dbraw/zinc/81/66/39/1302816639.db2.gz FPOSNJGMCMDOFH-SXLOBPIMSA-N 2 0 345.531 3.037 20 0 EGADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000768998951 1303029553 /nfs/dbraw/zinc/02/95/53/1303029553.db2.gz QTBQTIAESIOAFE-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C3([NH+](C)C)CCC3)c2)CC1 ZINC000770266277 1303242294 /nfs/dbraw/zinc/24/22/94/1303242294.db2.gz UJHVXIDDJVPWBN-UHFFFAOYSA-N 2 0 343.515 3.384 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1 ZINC000885907376 1303271654 /nfs/dbraw/zinc/27/16/54/1303271654.db2.gz CGDYMJATTGJGBP-HXUWFJFHSA-N 2 0 346.515 3.346 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000885948625 1303292799 /nfs/dbraw/zinc/29/27/99/1303292799.db2.gz AKLLZUGPIAKXIT-HXUWFJFHSA-N 2 0 346.515 3.345 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000886501595 1303477979 /nfs/dbraw/zinc/47/79/79/1303477979.db2.gz QGSZJWDGJFCDSW-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCN(c3ccccn3)C2)CC1 ZINC000886555022 1303499113 /nfs/dbraw/zinc/49/91/13/1303499113.db2.gz JAROHLKEDXQCGD-FDYSRKEFSA-N 2 0 328.504 3.047 20 0 EGADRP O[C@@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217216 1303504689 /nfs/dbraw/zinc/50/46/89/1303504689.db2.gz JBFZYZFZVJUQSA-IPELMVKDSA-N 2 0 334.891 3.322 20 0 EGADRP Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886623931 1303529286 /nfs/dbraw/zinc/52/92/86/1303529286.db2.gz TXEDGZSLEXAOSM-VXESANQCSA-N 2 0 344.503 3.104 20 0 EGADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@H](O)c1c(F)cccc1F ZINC000773032085 1303611815 /nfs/dbraw/zinc/61/18/15/1303611815.db2.gz SDMNUPASAPEZSZ-PUECVXPYSA-N 2 0 326.431 3.097 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775375996 1303948185 /nfs/dbraw/zinc/94/81/85/1303948185.db2.gz QYQWGPPSPOWLGC-BPKGMFCQSA-N 2 0 328.591 3.324 20 0 EGADRP Cc1ncc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000775522536 1303978597 /nfs/dbraw/zinc/97/85/97/1303978597.db2.gz STGBBZCDJWRBID-CRAIPNDOSA-N 2 0 329.513 3.494 20 0 EGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835713 1304601714 /nfs/dbraw/zinc/60/17/14/1304601714.db2.gz VCZMTZCRBNDPHY-UHFFFAOYSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(NC(=O)C2CC2)cc1 ZINC000892506172 1305411438 /nfs/dbraw/zinc/41/14/38/1305411438.db2.gz WIBBTXMQSKXXMF-RIJRJKGBSA-N 2 0 327.472 3.311 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C2CCS(=O)CC2)C1 ZINC000892600946 1305461816 /nfs/dbraw/zinc/46/18/16/1305461816.db2.gz PRAMSJXFPUSUST-ZRVNPNCUSA-N 2 0 348.556 3.165 20 0 EGADRP C[NH+]1CCC(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000892684006 1305506726 /nfs/dbraw/zinc/50/67/26/1305506726.db2.gz OGUNJXWJIYOVJS-UHFFFAOYSA-N 2 0 344.528 3.197 20 0 EGADRP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]CC1CC[NH+](C)CC1 ZINC000893215310 1305766846 /nfs/dbraw/zinc/76/68/46/1305766846.db2.gz FLGQRNOMDKKDJU-LBPRGKRZSA-N 2 0 343.284 3.451 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000893226433 1305772313 /nfs/dbraw/zinc/77/23/13/1305772313.db2.gz RDONGAISKSOTPG-IEBWSBKVSA-N 2 0 339.483 3.481 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000788566061 1305972675 /nfs/dbraw/zinc/97/26/75/1305972675.db2.gz YJRUSPPLZQSOCA-MRXNPFEDSA-N 2 0 325.456 3.350 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000894095273 1306216288 /nfs/dbraw/zinc/21/62/88/1306216288.db2.gz LPOGHZPXNKRLOI-UHFFFAOYSA-N 2 0 329.419 3.444 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000790749510 1308860505 /nfs/dbraw/zinc/86/05/05/1308860505.db2.gz HGXFUQFSKOYQQY-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCC(C[N@H+](CCn2ccnc2)Cc2cccc(Cl)c2)CC1 ZINC000894475594 1308911255 /nfs/dbraw/zinc/91/12/55/1308911255.db2.gz GAOXHEHRXDRJEJ-UHFFFAOYSA-N 2 0 346.906 3.381 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000894522524 1308936722 /nfs/dbraw/zinc/93/67/22/1308936722.db2.gz JKAJQOOMJZBMOX-GOSISDBHSA-N 2 0 339.483 3.232 20 0 EGADRP FC(F)(F)Cc1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000895473932 1309356715 /nfs/dbraw/zinc/35/67/15/1309356715.db2.gz RDKKYOLPJUZBAB-UHFFFAOYSA-N 2 0 347.450 3.460 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796285034 1309952735 /nfs/dbraw/zinc/95/27/35/1309952735.db2.gz PHBPJVUFSFASHX-UHFFFAOYSA-N 2 0 341.286 3.463 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798072462 1310290482 /nfs/dbraw/zinc/29/04/82/1310290482.db2.gz KTRRWBYXTAGRLZ-IBGZPJMESA-N 2 0 335.536 3.166 20 0 EGADRP Cc1cn(C(C)(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cn1 ZINC000897908291 1310513358 /nfs/dbraw/zinc/51/33/58/1310513358.db2.gz FWQIXUQDQYKFNW-KRWDZBQOSA-N 2 0 326.444 3.114 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(CCO)cc3)CC2)C1 ZINC000898170690 1310610973 /nfs/dbraw/zinc/61/09/73/1310610973.db2.gz JSJAWLSCASJNER-LAUBAEHRSA-N 2 0 330.516 3.354 20 0 EGADRP CCCCn1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1Cl ZINC000839180459 1320886996 /nfs/dbraw/zinc/88/69/96/1320886996.db2.gz DFFWHFQZNHLGGX-HNNXBMFYSA-N 2 0 326.916 3.467 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857281322 1328525842 /nfs/dbraw/zinc/52/58/42/1328525842.db2.gz XQTAHXDHYGWOEI-FXAWDEMLSA-N 2 0 343.515 3.052 20 0 EGADRP CCCN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@H+](C)C1 ZINC000857295442 1328526571 /nfs/dbraw/zinc/52/65/71/1328526571.db2.gz PITRCSLQIJOOLO-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018990824 1316995493 /nfs/dbraw/zinc/99/54/93/1316995493.db2.gz QTXFTGYXYITJRR-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001019231960 1317114260 /nfs/dbraw/zinc/11/42/60/1317114260.db2.gz BGEQXCFPOXKDOM-HKUYNNGSSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001019231072 1317114554 /nfs/dbraw/zinc/11/45/54/1317114554.db2.gz KBECNQLRBDCNOF-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001019337344 1317175741 /nfs/dbraw/zinc/17/57/41/1317175741.db2.gz GEHCZBSFXPJMHZ-GBESFXJTSA-N 2 0 349.494 3.054 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000957286783 1317261582 /nfs/dbraw/zinc/26/15/82/1317261582.db2.gz FTRROSDSTQWCOL-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC001019518405 1317281976 /nfs/dbraw/zinc/28/19/76/1317281976.db2.gz NDLMJPQWPBYKAH-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900413751 1317285733 /nfs/dbraw/zinc/28/57/33/1317285733.db2.gz ZSHKDRRGEUIBOE-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517540 1317420457 /nfs/dbraw/zinc/42/04/57/1317420457.db2.gz VPOVIEWTTXWYNZ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001019815486 1317439308 /nfs/dbraw/zinc/43/93/08/1317439308.db2.gz GSVAGFYBNBILPG-VQTJNVASSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001019823458 1317440097 /nfs/dbraw/zinc/44/00/97/1317440097.db2.gz KIHXFLGYIOGZSC-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)CC1 ZINC000957647520 1317519383 /nfs/dbraw/zinc/51/93/83/1317519383.db2.gz LEJUKIODANKLAE-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)CC1 ZINC000957647990 1317520159 /nfs/dbraw/zinc/52/01/59/1317520159.db2.gz ZFYREFLQDMOMCN-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)ccc2NC1=O ZINC000902333181 1317564374 /nfs/dbraw/zinc/56/43/74/1317564374.db2.gz HUEGOBZFQXCZED-UNEWFSDZSA-N 2 0 345.487 3.225 20 0 EGADRP CSc1ccc(Br)cc1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000902430133 1317577844 /nfs/dbraw/zinc/57/78/44/1317577844.db2.gz OVTMQBQYMGEILG-QWHCGFSZSA-N 2 0 329.307 3.183 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC2)C1 ZINC000902438345 1317579151 /nfs/dbraw/zinc/57/91/51/1317579151.db2.gz MVVAPTOEBYEXCF-FCXXMXSZSA-N 2 0 327.516 3.244 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC2CCC2)CC1 ZINC000957720188 1317587263 /nfs/dbraw/zinc/58/72/63/1317587263.db2.gz IQYIYDFYNLAPPW-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000957720415 1317588292 /nfs/dbraw/zinc/58/82/92/1317588292.db2.gz KKDQWBWEOQQCEU-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020237826 1317603766 /nfs/dbraw/zinc/60/37/66/1317603766.db2.gz DXBJQOPWYQLVHZ-UFYCRDLUSA-N 2 0 347.547 3.092 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001020289267 1317627968 /nfs/dbraw/zinc/62/79/68/1317627968.db2.gz WHQPUYDHQBUYCI-UAFMIMERSA-N 2 0 345.531 3.131 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001020297754 1317633422 /nfs/dbraw/zinc/63/34/22/1317633422.db2.gz YFTGCPXSFSHQQU-PILAGYSTSA-N 2 0 349.906 3.122 20 0 EGADRP c1ccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903067360 1317647150 /nfs/dbraw/zinc/64/71/50/1317647150.db2.gz RYUKSUBIIJEPBY-FYHVPLJZSA-N 2 0 325.500 3.260 20 0 EGADRP Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001020336263 1317651678 /nfs/dbraw/zinc/65/16/78/1317651678.db2.gz WMPOGFKNXMPHMT-IYARVYRRSA-N 2 0 348.450 3.002 20 0 EGADRP Cc1cccc2oc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)nc21 ZINC000903104147 1317654055 /nfs/dbraw/zinc/65/40/55/1317654055.db2.gz RBAZYZNCYGYRLO-ZXFUBFMLSA-N 2 0 325.456 3.426 20 0 EGADRP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000903110840 1317654993 /nfs/dbraw/zinc/65/49/93/1317654993.db2.gz RNVROIBCIVZCDZ-FJTLRTSUSA-N 2 0 339.527 3.397 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]1O)CCC2 ZINC000903115741 1317655981 /nfs/dbraw/zinc/65/59/81/1317655981.db2.gz OMEYMYJIIACEQL-LMYCIYFBSA-N 2 0 342.527 3.442 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001020353111 1317657071 /nfs/dbraw/zinc/65/70/71/1317657071.db2.gz PNWIBNNPBWBIGK-BJLQDIEVSA-N 2 0 348.450 3.336 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C2 ZINC000903118462 1317657086 /nfs/dbraw/zinc/65/70/86/1317657086.db2.gz PIADQRRRJSRXAJ-IQRYMVJYSA-N 2 0 338.442 3.095 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCOC34CCCC4)cc2)CC1 ZINC000903167039 1317667378 /nfs/dbraw/zinc/66/73/78/1317667378.db2.gz VWZZISNDOSOLKO-HXUWFJFHSA-N 2 0 344.499 3.351 20 0 EGADRP FC(F)(F)c1ccnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903174156 1317668680 /nfs/dbraw/zinc/66/86/80/1317668680.db2.gz FFWGELCJPMVCPS-ZXFUBFMLSA-N 2 0 339.405 3.390 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@H](O)C2CC2)cc1C[NH+]1CCCCC1 ZINC000903409128 1317697673 /nfs/dbraw/zinc/69/76/73/1317697673.db2.gz VRQBWJBHTSNQMF-JXFKEZNVSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H](c1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507426 1317706600 /nfs/dbraw/zinc/70/66/00/1317706600.db2.gz ZFEVNNJDAHYEKS-ZOCIIQOWSA-N 2 0 333.907 3.302 20 0 EGADRP c1sc2ccccc2c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510080 1317706823 /nfs/dbraw/zinc/70/68/23/1317706823.db2.gz NQMGSEOOZKCDFK-HDICACEKSA-N 2 0 341.524 3.302 20 0 EGADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000903565731 1317707356 /nfs/dbraw/zinc/70/73/56/1317707356.db2.gz OVLXCZWJXFAPKH-GXTWGEPZSA-N 2 0 343.393 3.071 20 0 EGADRP Clc1ccc2c(c1Cl)CCN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903726459 1317725683 /nfs/dbraw/zinc/72/56/83/1317725683.db2.gz LXEPRPDIXFQTQL-DYVFJYSZSA-N 2 0 341.282 3.120 20 0 EGADRP COc1ccc(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903729625 1317726835 /nfs/dbraw/zinc/72/68/35/1317726835.db2.gz PNBSCQTXHIYBHF-FQEVSTJZSA-N 2 0 344.499 3.033 20 0 EGADRP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903739766 1317728357 /nfs/dbraw/zinc/72/83/57/1317728357.db2.gz OYQUGCYXCXFSNT-LSDHHAIUSA-N 2 0 337.533 3.165 20 0 EGADRP Clc1ccc2c(c1Cl)CN(C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765446 1317731234 /nfs/dbraw/zinc/73/12/34/1317731234.db2.gz HIKLDJKMEUXAJO-GUYCJALGSA-N 2 0 341.282 3.120 20 0 EGADRP CCc1ccc(C2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903776371 1317732356 /nfs/dbraw/zinc/73/23/56/1317732356.db2.gz STTMUNZDPXHKNH-SFTDATJTSA-N 2 0 328.500 3.197 20 0 EGADRP Clc1ccc(CN2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903879270 1317740531 /nfs/dbraw/zinc/74/05/31/1317740531.db2.gz XDINNBSYPOJGOD-CTXDPNEZSA-N 2 0 347.934 3.378 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903900105 1317744808 /nfs/dbraw/zinc/74/48/08/1317744808.db2.gz ZXZYXDVOYABBDY-LBFURVHYSA-N 3 0 333.564 3.494 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1OC(=O)CC ZINC000858246307 1328721752 /nfs/dbraw/zinc/72/17/52/1328721752.db2.gz ZWHITXHLWFHKNU-QGZVFWFLSA-N 2 0 348.487 3.222 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)c1ccccc1Cl ZINC001020586724 1317791260 /nfs/dbraw/zinc/79/12/60/1317791260.db2.gz XFDWZCNGBFLXON-KLHDSHLOSA-N 2 0 349.906 3.122 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000904393002 1317841264 /nfs/dbraw/zinc/84/12/64/1317841264.db2.gz GKIZRCUQCVJPPV-AQNXPRMDSA-N 2 0 328.500 3.327 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000904406437 1317843250 /nfs/dbraw/zinc/84/32/50/1317843250.db2.gz VDYOSHGQPOMKIO-KRWDZBQOSA-N 2 0 347.466 3.105 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416272 1317844797 /nfs/dbraw/zinc/84/47/97/1317844797.db2.gz KCSMDSIMAVQAHG-MRXNPFEDSA-N 2 0 332.536 3.147 20 0 EGADRP CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000958794830 1317848890 /nfs/dbraw/zinc/84/88/90/1317848890.db2.gz NMLMRWDENAPJHS-HXUWFJFHSA-N 2 0 348.450 3.072 20 0 EGADRP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1-n1cncn1 ZINC000809738813 1317884200 /nfs/dbraw/zinc/88/42/00/1317884200.db2.gz KVQLBOGMSZOZRO-UHFFFAOYSA-N 2 0 349.482 3.269 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001020719697 1317885208 /nfs/dbraw/zinc/88/52/08/1317885208.db2.gz PEWJCOVMZPRDHW-MUGJNUQGSA-N 2 0 345.531 3.131 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3occc3Br)C2)CC1 ZINC000809757066 1317893562 /nfs/dbraw/zinc/89/35/62/1317893562.db2.gz WDMCFXBWYYUVHU-CYBMUJFWSA-N 2 0 327.266 3.206 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@H]3[NH2+]CCc4nc[nH]c43)cc2)s1 ZINC000904859344 1317904456 /nfs/dbraw/zinc/90/44/56/1317904456.db2.gz QJQYVPQKCFVISZ-GOSISDBHSA-N 2 0 338.480 3.435 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000905045896 1317916637 /nfs/dbraw/zinc/91/66/37/1317916637.db2.gz MOMARZUAZDJYKS-SFHVURJKSA-N 2 0 326.431 3.024 20 0 EGADRP C[N@H+](Cc1cn(C[C@H]2CC[NH+](Cc3ccccc3)C2)nn1)C(C)(C)C ZINC000905058041 1317918525 /nfs/dbraw/zinc/91/85/25/1317918525.db2.gz DMZOWVSOKGWWBY-SFHVURJKSA-N 2 0 341.503 3.031 20 0 EGADRP COc1ccc(Cl)cc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000810170588 1317967804 /nfs/dbraw/zinc/96/78/04/1317967804.db2.gz QDLUFQATMCZDLL-UHFFFAOYSA-N 2 0 328.909 3.266 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020927927 1318001452 /nfs/dbraw/zinc/00/14/52/1318001452.db2.gz PVRPWQDQZGRMPD-UAFMIMERSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)C1 ZINC000905905918 1318016782 /nfs/dbraw/zinc/01/67/82/1318016782.db2.gz HTWRNIDSJNZRIQ-KDOFPFPSSA-N 2 0 326.431 3.024 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001021091536 1318079095 /nfs/dbraw/zinc/07/90/95/1318079095.db2.gz WMWRMQGYSSBCQK-WGSAOQKQSA-N 2 0 343.515 3.179 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc[nH+]c(CO)c3)cc2)C1 ZINC000858348007 1328742663 /nfs/dbraw/zinc/74/26/63/1328742663.db2.gz CHXOQQNPSZMZQQ-INIZCTEOSA-N 2 0 325.456 3.418 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021254566 1318159758 /nfs/dbraw/zinc/15/97/58/1318159758.db2.gz PTSQCIOAPYFNHK-RAFMOHDBSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001021256853 1318160658 /nfs/dbraw/zinc/16/06/58/1318160658.db2.gz UBCKUBGEHNNGCF-YQQQUEKLSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001021273805 1318167364 /nfs/dbraw/zinc/16/73/64/1318167364.db2.gz FZPJFORQFLSGQC-RAFMOHDBSA-N 2 0 349.563 3.409 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)cs1 ZINC000960021302 1318316972 /nfs/dbraw/zinc/31/69/72/1318316972.db2.gz BCEAQNWYJDGKOH-SFHVURJKSA-N 2 0 349.544 3.012 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960032343 1318320625 /nfs/dbraw/zinc/32/06/25/1318320625.db2.gz FHWMFWPFQYZOGH-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)cs1 ZINC000960130981 1318372386 /nfs/dbraw/zinc/37/23/86/1318372386.db2.gz KURMXEFCUJRBGW-YJBOKZPZSA-N 2 0 349.544 3.012 20 0 EGADRP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000960266243 1318435981 /nfs/dbraw/zinc/43/59/81/1318435981.db2.gz BNGYFQAVWULHSX-RTBURBONSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960271883 1318437864 /nfs/dbraw/zinc/43/78/64/1318437864.db2.gz WRGWVBQLAPVXEC-YFVAEKQCSA-N 2 0 343.515 3.031 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666566 1318530201 /nfs/dbraw/zinc/53/02/01/1318530201.db2.gz VNTFBVNNLUDWKZ-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681912 1318552631 /nfs/dbraw/zinc/55/26/31/1318552631.db2.gz KCGZABKCPULUAT-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681910 1318553740 /nfs/dbraw/zinc/55/37/40/1318553740.db2.gz KCGZABKCPULUAT-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021690192 1318563922 /nfs/dbraw/zinc/56/39/22/1318563922.db2.gz GQIMRLSEOZXGRC-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491373 1328777934 /nfs/dbraw/zinc/77/79/34/1328777934.db2.gz GHVKAGCBZICMHD-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CC1(C)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1O ZINC000813880241 1318649751 /nfs/dbraw/zinc/64/97/51/1318649751.db2.gz DHGGJKGUVXHFBN-NOSIKRSBSA-N 2 0 328.500 3.321 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001022291361 1318880413 /nfs/dbraw/zinc/88/04/13/1318880413.db2.gz YFTGCPXSFSHQQU-VIBAHUMZSA-N 2 0 349.906 3.122 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001022435065 1318941216 /nfs/dbraw/zinc/94/12/16/1318941216.db2.gz RTKNHZXXKICEJE-HDICACEKSA-N 2 0 340.471 3.155 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3)C2)C1 ZINC001022585234 1319003671 /nfs/dbraw/zinc/00/36/71/1319003671.db2.gz LTMDEBDBYJMMSJ-AFYVEPGGSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1)[NH+](C)C ZINC000960865630 1319010531 /nfs/dbraw/zinc/01/05/31/1319010531.db2.gz XKDUEWRKROWFBM-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)c1ccccc1Cl ZINC001022712667 1319079146 /nfs/dbraw/zinc/07/91/46/1319079146.db2.gz XFDWZCNGBFLXON-FPCVCCKLSA-N 2 0 349.906 3.122 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001023274426 1319407450 /nfs/dbraw/zinc/40/74/50/1319407450.db2.gz ZJHLCPBPCMVHSR-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288481 1319447358 /nfs/dbraw/zinc/44/73/58/1319447358.db2.gz WZOYARNXMHTKKZ-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H]1C[NH3+] ZINC000817879652 1319450948 /nfs/dbraw/zinc/45/09/48/1319450948.db2.gz DNEHILRJOLKCDL-QWQRMKEZSA-N 2 0 340.467 3.087 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000817899989 1319454664 /nfs/dbraw/zinc/45/46/64/1319454664.db2.gz JJTXJONRXDKWCG-FGTMMUONSA-N 2 0 332.488 3.493 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000817904237 1319456212 /nfs/dbraw/zinc/45/62/12/1319456212.db2.gz ARQAEMWCKSXQOE-WTOJCKNJSA-N 2 0 331.435 3.151 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cc(F)cc(Cl)c1 ZINC000817926825 1319462652 /nfs/dbraw/zinc/46/26/52/1319462652.db2.gz AMTLWGUMIMKPLX-WNRNVDISSA-N 2 0 340.870 3.413 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817928274 1319462747 /nfs/dbraw/zinc/46/27/47/1319462747.db2.gz ZKYJMDZSEVFARU-DQYPLSBCSA-N 2 0 328.859 3.413 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817930374 1319465295 /nfs/dbraw/zinc/46/52/95/1319465295.db2.gz BWSADAPHTCVGLA-CVEARBPZSA-N 2 0 326.440 3.259 20 0 EGADRP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Br)ncc1F ZINC000817946847 1319472038 /nfs/dbraw/zinc/47/20/38/1319472038.db2.gz GKKPXRZBEDWSIK-GARJFASQSA-N 2 0 330.245 3.022 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1Cn1cccn1 ZINC000817975112 1319482985 /nfs/dbraw/zinc/48/29/85/1319482985.db2.gz JBLSAJNTNRBQIE-HOTGVXAUSA-N 2 0 330.476 3.108 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023402565 1319510257 /nfs/dbraw/zinc/51/02/57/1319510257.db2.gz OGAMBSVUVXQVOY-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000818340656 1319530773 /nfs/dbraw/zinc/53/07/73/1319530773.db2.gz PLXWWFIHPVLWBO-MRXNPFEDSA-N 2 0 337.467 3.242 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000818943687 1319583356 /nfs/dbraw/zinc/58/33/56/1319583356.db2.gz XQWGJJYQTHSNCD-FQEVSTJZSA-N 2 0 346.421 3.384 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961440228 1319593043 /nfs/dbraw/zinc/59/30/43/1319593043.db2.gz KTSASIIECAEPOZ-UYAOXDASSA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818975094 1319599857 /nfs/dbraw/zinc/59/98/57/1319599857.db2.gz SMICYWSOQFBNBM-MRXNPFEDSA-N 2 0 331.287 3.348 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818981767 1319603343 /nfs/dbraw/zinc/60/33/43/1319603343.db2.gz YOKJCNYMGZNQAH-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000819049647 1319622412 /nfs/dbraw/zinc/62/24/12/1319622412.db2.gz MQSCFMYWYCWXNR-SFHVURJKSA-N 2 0 326.431 3.244 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819133323 1319644554 /nfs/dbraw/zinc/64/45/54/1319644554.db2.gz OCYLQRQCJQMPQK-BZUAXINKSA-N 2 0 330.394 3.201 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000819151998 1319650100 /nfs/dbraw/zinc/65/01/00/1319650100.db2.gz JTYQALCJQIRVNH-GUYCJALGSA-N 2 0 328.859 3.080 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552727 1319662509 /nfs/dbraw/zinc/66/25/09/1319662509.db2.gz MCDCTTPCGKAGBC-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1C(F)(F)F ZINC000819268246 1319684549 /nfs/dbraw/zinc/68/45/49/1319684549.db2.gz QEACTMWQLLWHAJ-QGZVFWFLSA-N 2 0 342.405 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)C1 ZINC000962217237 1319863931 /nfs/dbraw/zinc/86/39/31/1319863931.db2.gz RCAQSGHEIVYZLY-GPJFCIFZSA-N 2 0 347.547 3.093 20 0 EGADRP C[C@@H](O)C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000820814110 1319959060 /nfs/dbraw/zinc/95/90/60/1319959060.db2.gz FSVLESCWIKFIQH-VQEIGYSISA-N 2 0 328.500 3.289 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820824814 1319962853 /nfs/dbraw/zinc/96/28/53/1319962853.db2.gz VOJVCWHQJYXPNV-XGHQBKJUSA-N 2 0 326.484 3.391 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1)C(C)C ZINC000827329485 1320444274 /nfs/dbraw/zinc/44/42/74/1320444274.db2.gz GWBVZADQXRWAJN-WOJBJXKFSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)n1cc2c(n1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000839014192 1320850751 /nfs/dbraw/zinc/85/07/51/1320850751.db2.gz ZRDOXVXBJWBOGJ-LJQANCHMSA-N 2 0 339.487 3.495 20 0 EGADRP CCCCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000839538781 1320934476 /nfs/dbraw/zinc/93/44/76/1320934476.db2.gz GHKLCUOVOVKHRX-HXUWFJFHSA-N 2 0 345.531 3.498 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000840810035 1321154320 /nfs/dbraw/zinc/15/43/20/1321154320.db2.gz NPYGCSBTQUTERW-IRXDYDNUSA-N 2 0 345.487 3.416 20 0 EGADRP Cc1cc(C[NH2+]C2CC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000841027155 1321203448 /nfs/dbraw/zinc/20/34/48/1321203448.db2.gz XXZTWVDRHHMOQS-UHFFFAOYSA-N 2 0 325.456 3.119 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H]2CCc3ccccc3NC2=O)cc1 ZINC000859213320 1328946894 /nfs/dbraw/zinc/94/68/94/1328946894.db2.gz VKJUJSJJCORNNJ-FQEVSTJZSA-N 2 0 337.467 3.134 20 0 EGADRP COC(=O)c1ccc([C@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859215040 1328947631 /nfs/dbraw/zinc/94/76/31/1328947631.db2.gz XNTYQKHXRKMUCR-AWEZNQCLSA-N 2 0 330.428 3.321 20 0 EGADRP O[C@@H](C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000843064509 1321464482 /nfs/dbraw/zinc/46/44/82/1321464482.db2.gz GZHHYVMMUVXINQ-HKUYNNGSSA-N 2 0 330.497 3.283 20 0 EGADRP O[C@@H](C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000843066738 1321465197 /nfs/dbraw/zinc/46/51/97/1321465197.db2.gz UBMZRGUTIQQLMC-MSOLQXFVSA-N 2 0 330.497 3.283 20 0 EGADRP CC[C@H](C)Oc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000843120162 1321473157 /nfs/dbraw/zinc/47/31/57/1321473157.db2.gz FVLVOYMKEODADV-INIZCTEOSA-N 2 0 332.488 3.448 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@]4(F)CC[NH2+]C4)n3)cc2)CC1 ZINC000843201506 1321486650 /nfs/dbraw/zinc/48/66/50/1321486650.db2.gz XRBDHFJBBXWTHJ-IBGZPJMESA-N 2 0 344.434 3.127 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(C[C@@H]4CCC[NH2+]4)n3)cc2)CC1 ZINC000843200340 1321486710 /nfs/dbraw/zinc/48/67/10/1321486710.db2.gz LKKHYPKYRQXKNA-SFHVURJKSA-N 2 0 340.471 3.263 20 0 EGADRP C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC([NH3+])CC2)c2ccccc2S1 ZINC000843354056 1321505381 /nfs/dbraw/zinc/50/53/81/1321505381.db2.gz VBBLLXLDUBOXAJ-FHERZECASA-N 2 0 347.528 3.106 20 0 EGADRP CCc1ccc2c(C[NH+]3CCC(CC[NH2+]C)CC3)cc(=O)oc2c1 ZINC000843363547 1321507127 /nfs/dbraw/zinc/50/71/27/1321507127.db2.gz VJGBAJYDMDSKMQ-UHFFFAOYSA-N 2 0 328.456 3.177 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000844204654 1321578467 /nfs/dbraw/zinc/57/84/67/1321578467.db2.gz TXBKGFSEORFBJO-QGZVFWFLSA-N 2 0 343.515 3.262 20 0 EGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844332638 1321591098 /nfs/dbraw/zinc/59/10/98/1321591098.db2.gz VOUZCRVIACSPFY-LJQANCHMSA-N 2 0 339.524 3.099 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845980475 1321760487 /nfs/dbraw/zinc/76/04/87/1321760487.db2.gz GOEIRQCEIJQOEG-KLAILNCOSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H]1CC[NH3+] ZINC000846226642 1321778499 /nfs/dbraw/zinc/77/84/99/1321778499.db2.gz SDGYUBXQJUSWPM-LIRRHRJNSA-N 2 0 340.467 3.231 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1 ZINC000849058758 1322061731 /nfs/dbraw/zinc/06/17/31/1322061731.db2.gz NSMRWPIEIMEIAN-QGZVFWFLSA-N 2 0 346.519 3.163 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Cl)c1Cl ZINC000849062632 1322063369 /nfs/dbraw/zinc/06/33/69/1322063369.db2.gz XNKIJNOOCVMLLY-LBPRGKRZSA-N 2 0 329.275 3.092 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=[NH2+])N2CCCCC2)c2ccccc2)CC1 ZINC000849065108 1322063871 /nfs/dbraw/zinc/06/38/71/1322063871.db2.gz PGYIGJGRALKVHH-IBGZPJMESA-N 2 0 328.504 3.470 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000849064518 1322064589 /nfs/dbraw/zinc/06/45/89/1322064589.db2.gz IKOYIJIDRFSTJN-IAGOWNOFSA-N 2 0 330.520 3.100 20 0 EGADRP [NH2+]=C(NCC[NH+]1CCCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082647 1322070636 /nfs/dbraw/zinc/07/06/36/1322070636.db2.gz JSHSPDDZUYIUSB-UHFFFAOYSA-N 2 0 330.354 3.007 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091402 1322074916 /nfs/dbraw/zinc/07/49/16/1322074916.db2.gz DGSYKKNGJVACGT-CQSZACIVSA-N 2 0 342.409 3.050 20 0 EGADRP CCCCCCNC(=[NH2+])NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000849101909 1322079155 /nfs/dbraw/zinc/07/91/55/1322079155.db2.gz XPERACCRDFDBQV-UHFFFAOYSA-N 2 0 338.540 3.104 20 0 EGADRP C[NH+](C)C1(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CCC1 ZINC000849108632 1322081117 /nfs/dbraw/zinc/08/11/17/1322081117.db2.gz USQXMIDVDPSOIT-UHFFFAOYSA-N 2 0 330.354 3.006 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850464354 1322252839 /nfs/dbraw/zinc/25/28/39/1322252839.db2.gz GHHWKRLAWYLFNA-SJORKVTESA-N 2 0 332.488 3.163 20 0 EGADRP C[C@H]([NH2+]CC1SCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000850560951 1322268399 /nfs/dbraw/zinc/26/83/99/1322268399.db2.gz PNIRBUKSHMQEEX-ZDUSSCGKSA-N 2 0 326.531 3.084 20 0 EGADRP Cc1nn(C)c(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1Cl ZINC000921820468 1322405000 /nfs/dbraw/zinc/40/50/00/1322405000.db2.gz NSWCGKOPLGHATR-UHFFFAOYSA-N 2 0 326.916 3.230 20 0 EGADRP Cn1c2ccc(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)cc2oc1=O ZINC000922505474 1322544605 /nfs/dbraw/zinc/54/46/05/1322544605.db2.gz SAKUQDXLDYWNSI-UHFFFAOYSA-N 2 0 343.471 3.018 20 0 EGADRP CCc1onc(C)c1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000922987214 1322669714 /nfs/dbraw/zinc/66/97/14/1322669714.db2.gz BQTHNJXVQDHXBD-UHFFFAOYSA-N 2 0 331.460 3.166 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923296006 1322728441 /nfs/dbraw/zinc/72/84/41/1322728441.db2.gz MSBNXZFNEQIAKN-IIBYNOLFSA-N 2 0 339.483 3.118 20 0 EGADRP c1ccc2c(c1)C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[C@@H]1CCCN21 ZINC000923425567 1322749915 /nfs/dbraw/zinc/74/99/15/1322749915.db2.gz HSKLMONLEARXMT-QZNYNHHHSA-N 2 0 325.500 3.392 20 0 EGADRP CCc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503048 1322763325 /nfs/dbraw/zinc/76/33/25/1322763325.db2.gz FMOFVXDDBYMAGI-GOSISDBHSA-N 2 0 343.515 3.289 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001023987475 1323066941 /nfs/dbraw/zinc/06/69/41/1323066941.db2.gz SPRCGMPVXALDCN-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCOC(=O)N1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924614414 1323076149 /nfs/dbraw/zinc/07/61/49/1323076149.db2.gz ZRJSFEUPHHFJQL-OAHLLOKOSA-N 2 0 333.476 3.020 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024023702 1323081529 /nfs/dbraw/zinc/08/15/29/1323081529.db2.gz OEOPKHLOSHTGCK-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)NC(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924635470 1323086413 /nfs/dbraw/zinc/08/64/13/1323086413.db2.gz SOBVUAKNIGUCIY-IHWFROFDSA-N 2 0 343.515 3.076 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001024037779 1323090024 /nfs/dbraw/zinc/09/00/24/1323090024.db2.gz BNFLWSLRLKVZSH-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024045543 1323095751 /nfs/dbraw/zinc/09/57/51/1323095751.db2.gz KLXMAVZOJBCIET-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924668494 1323104843 /nfs/dbraw/zinc/10/48/43/1323104843.db2.gz QRJOXIJNEPELPP-WBVHZDCISA-N 2 0 338.927 3.192 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924684662 1323112554 /nfs/dbraw/zinc/11/25/54/1323112554.db2.gz MDPWFXKSQDCNIU-JYRKZWEQSA-N 2 0 346.563 3.479 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024157318 1323179977 /nfs/dbraw/zinc/17/99/77/1323179977.db2.gz ZBNHLBZCHVVUIN-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000924861080 1323190881 /nfs/dbraw/zinc/19/08/81/1323190881.db2.gz HKUBJPIUQZXFPL-HKUYNNGSSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000924870706 1323194739 /nfs/dbraw/zinc/19/47/39/1323194739.db2.gz UGXZHPBQERUEQX-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001024223858 1323213876 /nfs/dbraw/zinc/21/38/76/1323213876.db2.gz RZIHBVOKHCHCHY-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024232374 1323220748 /nfs/dbraw/zinc/22/07/48/1323220748.db2.gz PYGQNJVVBFUEAQ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1F)N1CC[NH+](C)CC1 ZINC000924963078 1323230093 /nfs/dbraw/zinc/23/00/93/1323230093.db2.gz DGTZORNGLFHHDT-VXGBXAGGSA-N 2 0 348.293 3.419 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000852753638 1323236033 /nfs/dbraw/zinc/23/60/33/1323236033.db2.gz FKECHEVQOSDGJC-KRWDZBQOSA-N 2 0 340.467 3.313 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925053339 1323257290 /nfs/dbraw/zinc/25/72/90/1323257290.db2.gz HFOPNBNZRBHION-MRXNPFEDSA-N 2 0 325.456 3.428 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024470399 1323424589 /nfs/dbraw/zinc/42/45/89/1323424589.db2.gz ZMHSLHXJWVHHNX-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024469565 1323424915 /nfs/dbraw/zinc/42/49/15/1323424915.db2.gz SZGMWHMGWTZBSB-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024514137 1323464777 /nfs/dbraw/zinc/46/47/77/1323464777.db2.gz VZDHYAXRVKKPQV-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024613862 1323543080 /nfs/dbraw/zinc/54/30/80/1323543080.db2.gz CXTSZRVBNXVIKL-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC2CCCC2)CC1 ZINC001024633583 1323560794 /nfs/dbraw/zinc/56/07/94/1323560794.db2.gz KZBDYZTVGPJURS-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC1 ZINC001024693103 1323609661 /nfs/dbraw/zinc/60/96/61/1323609661.db2.gz WJZJQSULNPPPED-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711201 1323618182 /nfs/dbraw/zinc/61/81/82/1323618182.db2.gz IAFMKJQRTRNQMQ-VQIMIIECSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811603 1323714215 /nfs/dbraw/zinc/71/42/15/1323714215.db2.gz VBJWHMJAKPXMND-XLIONFOSSA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024812996 1323716896 /nfs/dbraw/zinc/71/68/96/1323716896.db2.gz VALQUXYDWUESLO-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001024902302 1323772265 /nfs/dbraw/zinc/77/22/65/1323772265.db2.gz NJQKFQDVBGIADS-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001025010561 1323825442 /nfs/dbraw/zinc/82/54/42/1323825442.db2.gz CUOLXABYUDMYGK-LJQANCHMSA-N 2 0 345.531 3.086 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001025085907 1323885530 /nfs/dbraw/zinc/88/55/30/1323885530.db2.gz XFMUNOJLYBYNPB-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001025160055 1323930546 /nfs/dbraw/zinc/93/05/46/1323930546.db2.gz WNFRGMKNKQRSLN-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265010 1324078099 /nfs/dbraw/zinc/07/80/99/1324078099.db2.gz CUBYWVNLVMXXQE-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293525 1324120034 /nfs/dbraw/zinc/12/00/34/1324120034.db2.gz CZKOMFBPGQICGB-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001025470619 1324317237 /nfs/dbraw/zinc/31/72/37/1324317237.db2.gz ZCNNVNZIYFIOSB-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557239 1324406698 /nfs/dbraw/zinc/40/66/98/1324406698.db2.gz FPRSSOKNVFQAKK-PXNSSMCTSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026502218 1324852488 /nfs/dbraw/zinc/85/24/88/1324852488.db2.gz WDQDPQDBRABQOM-UHFFFAOYSA-N 2 0 349.544 3.240 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026503193 1324853522 /nfs/dbraw/zinc/85/35/22/1324853522.db2.gz NGOOILFEEXBMSQ-SOAGJPPSSA-N 2 0 347.547 3.378 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001026515846 1324862617 /nfs/dbraw/zinc/86/26/17/1324862617.db2.gz MHMJAERAYHWZNP-CTWPCTMYSA-N 2 0 347.547 3.068 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC001026560544 1324896258 /nfs/dbraw/zinc/89/62/58/1324896258.db2.gz UYVVYUGFBPQGSJ-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001026561124 1324896288 /nfs/dbraw/zinc/89/62/88/1324896288.db2.gz PCSYVQMHGKXEGK-IPJUCJBFSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001026561138 1324896677 /nfs/dbraw/zinc/89/66/77/1324896677.db2.gz PMGVVXJWBVZVNE-KKXNLOMOSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2CCC([NH2+]CCC3CC3)CC2)cc1 ZINC001026575730 1324907103 /nfs/dbraw/zinc/90/71/03/1324907103.db2.gz GTNQKFPVQKIQBI-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000925113154 1325050727 /nfs/dbraw/zinc/05/07/27/1325050727.db2.gz IZOMPAXBVFGFNL-JTQLQIEISA-N 2 0 335.250 3.240 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001026887840 1325063000 /nfs/dbraw/zinc/06/30/00/1325063000.db2.gz WIOSFQOUATVZKT-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cccc(C[NH+](C)C)c1 ZINC000925409775 1325143484 /nfs/dbraw/zinc/14/34/84/1325143484.db2.gz WZMAMGHKLWBSMM-HNNXBMFYSA-N 2 0 326.440 3.370 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925441054 1325151322 /nfs/dbraw/zinc/15/13/22/1325151322.db2.gz XJWDHAZSEARPSY-OTWHNJEPSA-N 3 0 347.547 3.288 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925441052 1325151778 /nfs/dbraw/zinc/15/17/78/1325151778.db2.gz XJWDHAZSEARPSY-CEXWTWQISA-N 3 0 347.547 3.288 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925501425 1325179164 /nfs/dbraw/zinc/17/91/64/1325179164.db2.gz HZCZAXUPXZOOBQ-IQMFZBJNSA-N 2 0 330.497 3.336 20 0 EGADRP C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925501476 1325179569 /nfs/dbraw/zinc/17/95/69/1325179569.db2.gz HZCZAXUPXZOOBQ-WNSKOXEYSA-N 2 0 330.497 3.336 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925532486 1325194209 /nfs/dbraw/zinc/19/42/09/1325194209.db2.gz GVEYCDOJQHBEHQ-RTWAWAEBSA-N 2 0 338.499 3.189 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000925533314 1325195314 /nfs/dbraw/zinc/19/53/14/1325195314.db2.gz LKMXSMIVMVRJTI-RYTJFDOTSA-N 2 0 342.405 3.371 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000925542712 1325199926 /nfs/dbraw/zinc/19/99/26/1325199926.db2.gz OICBEPHAFORGGZ-YZGWKJHDSA-N 2 0 327.516 3.304 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000925610600 1325229301 /nfs/dbraw/zinc/22/93/01/1325229301.db2.gz HVZXMMJDPOOEQR-RBUKOAKNSA-N 2 0 327.472 3.486 20 0 EGADRP Cc1nonc1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925617573 1325232710 /nfs/dbraw/zinc/23/27/10/1325232710.db2.gz XJSGNUGHVKKKBW-VKJFTORMSA-N 2 0 328.460 3.329 20 0 EGADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1 ZINC000925676497 1325258969 /nfs/dbraw/zinc/25/89/69/1325258969.db2.gz NEQREGXVZIGWNC-AEFFLSMTSA-N 2 0 341.430 3.001 20 0 EGADRP CC(=O)N(C)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925721052 1325269966 /nfs/dbraw/zinc/26/99/66/1325269966.db2.gz XKNLNPVNBZCTEG-FQEVSTJZSA-N 2 0 325.456 3.239 20 0 EGADRP C[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000854676199 1325292699 /nfs/dbraw/zinc/29/26/99/1325292699.db2.gz GDAVVIGPNOAAMO-KZNAEPCWSA-N 2 0 349.563 3.361 20 0 EGADRP CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000963833620 1325405853 /nfs/dbraw/zinc/40/58/53/1325405853.db2.gz YGQVLTUIMQVVLR-FAFZWHIHSA-N 2 0 335.536 3.163 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000856930483 1325542450 /nfs/dbraw/zinc/54/24/50/1325542450.db2.gz WNIIOAGNOVQGCS-YLJYHZDGSA-N 2 0 343.515 3.100 20 0 EGADRP CC(C)[C@@H](CO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926420481 1325547766 /nfs/dbraw/zinc/54/77/66/1325547766.db2.gz JBHADCIJBDDXAK-WVVQBRDUSA-N 2 0 330.516 3.426 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857143994 1325580163 /nfs/dbraw/zinc/58/01/63/1325580163.db2.gz CVAXVNPHOZHAOX-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926553728 1327614013 /nfs/dbraw/zinc/61/40/13/1327614013.db2.gz AILDOCMKRLPPRJ-SNRMKQJTSA-N 2 0 342.487 3.053 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cccc(C[NH+](C)C)c1 ZINC000926665205 1327657488 /nfs/dbraw/zinc/65/74/88/1327657488.db2.gz ZVKZLVISGBPNNR-QRWLVFNGSA-N 2 0 337.467 3.352 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027433274 1327672349 /nfs/dbraw/zinc/67/23/49/1327672349.db2.gz VXFBVVCIOZIALJ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442335 1327682122 /nfs/dbraw/zinc/68/21/22/1327682122.db2.gz DLXWBYOCUORZHL-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027464869 1327715879 /nfs/dbraw/zinc/71/58/79/1327715879.db2.gz IMWVAPDOZHOTOX-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027473639 1327730378 /nfs/dbraw/zinc/73/03/78/1327730378.db2.gz PQRLEJLGBIADPK-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCC3CCCCC3)C2)C1 ZINC001027576368 1327913901 /nfs/dbraw/zinc/91/39/01/1327913901.db2.gz NNTXHMZUGWPTTL-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CCc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001027578179 1327914856 /nfs/dbraw/zinc/91/48/56/1327914856.db2.gz FVLGJQCOAIRETB-PMACEKPBSA-N 2 0 345.531 3.012 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CC3CCCCC3)C2)CC1 ZINC001027628729 1327992192 /nfs/dbraw/zinc/99/21/92/1327992192.db2.gz JLSJCRWSPDJTAK-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000928012313 1328171832 /nfs/dbraw/zinc/17/18/32/1328171832.db2.gz WOMNEBSPWHTMQO-NBNWYHCKSA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000928012950 1328172156 /nfs/dbraw/zinc/17/21/56/1328172156.db2.gz NXAWABIBJRTEET-UHFFFAOYSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027919647 1328400100 /nfs/dbraw/zinc/40/01/00/1328400100.db2.gz ZDQFDQOPQSDULD-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929877 1328408715 /nfs/dbraw/zinc/40/87/15/1328408715.db2.gz KNQMZQHEVMVOKS-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986568 1328457531 /nfs/dbraw/zinc/45/75/31/1328457531.db2.gz YNQHLQQNCZQKJC-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCCC1CCC1)c1ccc2c[nH+]cn2c1 ZINC001028028657 1328490565 /nfs/dbraw/zinc/49/05/65/1328490565.db2.gz CWBFHZMESIQPDV-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000862483284 1329490290 /nfs/dbraw/zinc/49/02/90/1329490290.db2.gz RZYJIYOAHHCODC-AQFXKWCLSA-N 2 0 339.524 3.001 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)oc21 ZINC000863652252 1329570822 /nfs/dbraw/zinc/57/08/22/1329570822.db2.gz SZUVRPCFLBJYQD-KRWDZBQOSA-N 2 0 344.455 3.032 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865449340 1329698935 /nfs/dbraw/zinc/69/89/35/1329698935.db2.gz UKINETVEAVBRGZ-SFHVURJKSA-N 2 0 347.547 3.227 20 0 EGADRP CCn1cncc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717909 1329732158 /nfs/dbraw/zinc/73/21/58/1329732158.db2.gz OOYKRPXTNFZYGX-UHFFFAOYSA-N 2 0 326.488 3.295 20 0 EGADRP COc1cc2c(cc1C[NH2+]CCC1CC[NH+](C(C)C)CC1)OCO2 ZINC000865716926 1329732285 /nfs/dbraw/zinc/73/22/85/1329732285.db2.gz IKRYWWRKHVGTSE-UHFFFAOYSA-N 2 0 334.460 3.024 20 0 EGADRP CCn1nccc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718273 1329732300 /nfs/dbraw/zinc/73/23/00/1329732300.db2.gz XODRTGDTHNFIMW-UHFFFAOYSA-N 2 0 326.488 3.295 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700791 1329835077 /nfs/dbraw/zinc/83/50/77/1329835077.db2.gz BAPQJFMPGRJLKB-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000933455187 1329890702 /nfs/dbraw/zinc/89/07/02/1329890702.db2.gz DCAMTCZURZERPB-JFIYKMOQSA-N 2 0 349.544 3.120 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000934279120 1329961130 /nfs/dbraw/zinc/96/11/30/1329961130.db2.gz VXWRDAOPAYDINT-RLLQIKCJSA-N 2 0 343.515 3.029 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000866231888 1330081283 /nfs/dbraw/zinc/08/12/83/1330081283.db2.gz BVENQKBUFWVJKM-HXUWFJFHSA-N 2 0 333.495 3.210 20 0 EGADRP COC(=O)c1cnc([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)s1 ZINC000866470352 1330116484 /nfs/dbraw/zinc/11/64/84/1330116484.db2.gz WLZHVRBFKOTWDF-CYBMUJFWSA-N 2 0 339.505 3.091 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000866470117 1330116559 /nfs/dbraw/zinc/11/65/59/1330116559.db2.gz RUGWFCKXFJHSQK-KRWDZBQOSA-N 2 0 326.488 3.373 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000866590113 1330130263 /nfs/dbraw/zinc/13/02/63/1330130263.db2.gz MNGNPFCHEBDUTD-VXKWHMMOSA-N 2 0 341.543 3.209 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518504 1331950614 /nfs/dbraw/zinc/95/06/14/1331950614.db2.gz SMEVPVLDIOFPIK-BEFAXECRSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556169 1331971631 /nfs/dbraw/zinc/97/16/31/1331971631.db2.gz WKDZFOBQSPDVIH-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[N@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821365 1332042314 /nfs/dbraw/zinc/04/23/14/1332042314.db2.gz DVKHPHGVARVRCN-HKUYNNGSSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902370 1332928669 /nfs/dbraw/zinc/92/86/69/1332928669.db2.gz MOLVUSHEXLLRRL-VNTMZGSJSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362460 1333104141 /nfs/dbraw/zinc/10/41/41/1333104141.db2.gz XDKKWOKABLOMKQ-HOCLYGCPSA-N 2 0 337.533 3.193 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1CCCCC1 ZINC000947725701 1333241351 /nfs/dbraw/zinc/24/13/51/1333241351.db2.gz BXBDVIDCZNEQMJ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000948040860 1333350284 /nfs/dbraw/zinc/35/02/84/1333350284.db2.gz UXQRCRUJDNTIHK-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C/C=C\Cl ZINC000948055433 1333357179 /nfs/dbraw/zinc/35/71/79/1333357179.db2.gz BXJPLWVREQONQB-WMJDKPPMSA-N 2 0 349.906 3.083 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057505 1333358232 /nfs/dbraw/zinc/35/82/32/1333358232.db2.gz WRDAGSIGBNAIIZ-LPHOPBHVSA-N 2 0 331.504 3.131 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948077012 1333367363 /nfs/dbraw/zinc/36/73/63/1333367363.db2.gz AHQLWQSOGBVDAH-JKSUJKDBSA-N 2 0 335.492 3.114 20 0 EGADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948374780 1333501024 /nfs/dbraw/zinc/50/10/24/1333501024.db2.gz YNUCBUUUDPDSJZ-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439168 1333525221 /nfs/dbraw/zinc/52/52/21/1333525221.db2.gz IWXGLFYEYOKDEZ-IEBWSBKVSA-N 2 0 335.536 3.115 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948553855 1333572172 /nfs/dbraw/zinc/57/21/72/1333572172.db2.gz NJSKKDBBLHQURG-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673644 1333623315 /nfs/dbraw/zinc/62/33/15/1333623315.db2.gz FFKNZSXUJKQFKQ-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674448 1333623603 /nfs/dbraw/zinc/62/36/03/1333623603.db2.gz XULYRIGRPPBFGJ-GOSISDBHSA-N 2 0 335.536 3.140 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948743086 1333654958 /nfs/dbraw/zinc/65/49/58/1333654958.db2.gz OVWMDFHKDCFWEJ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCC(C)(C)C)CC2)C1 ZINC000948765666 1333668199 /nfs/dbraw/zinc/66/81/99/1333668199.db2.gz AZDYNQSAYBOAMI-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC000948767721 1333670115 /nfs/dbraw/zinc/67/01/15/1333670115.db2.gz ZXXPJVDTWPNOPK-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948854277 1333710169 /nfs/dbraw/zinc/71/01/69/1333710169.db2.gz LRTIREFVFAMUGK-MOPGFXCFSA-N 2 0 343.515 3.075 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000949117766 1333780027 /nfs/dbraw/zinc/78/00/27/1333780027.db2.gz KMBADFXPOKVSGQ-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN([C@H](C)c3ccccc3)C2)CC[N@@H+]1C ZINC000950370696 1334052902 /nfs/dbraw/zinc/05/29/02/1334052902.db2.gz DZOCGXZTIITDFP-LSTHTHJFSA-N 2 0 343.515 3.011 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC000952401738 1334449366 /nfs/dbraw/zinc/44/93/66/1334449366.db2.gz FQSSBVDVLKENPZ-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000952443827 1334460862 /nfs/dbraw/zinc/46/08/62/1334460862.db2.gz DAPZZUFPKVLXPM-UYAOXDASSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396869 1335725522 /nfs/dbraw/zinc/72/55/22/1335725522.db2.gz IUBWRPWRAQGXSD-KXBFYZLASA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708780 1335805490 /nfs/dbraw/zinc/80/54/90/1335805490.db2.gz VRHMVZDXZOIORJ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968331960 1335892255 /nfs/dbraw/zinc/89/22/55/1335892255.db2.gz SNHARYFBLOFYGU-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000968835783 1336063927 /nfs/dbraw/zinc/06/39/27/1336063927.db2.gz OLJNYOBCPCASKX-MRXNPFEDSA-N 2 0 349.544 3.050 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856148 1336069737 /nfs/dbraw/zinc/06/97/37/1336069737.db2.gz FKFQEFIZCMAWLY-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@H+]1C/C=C/Cl)c1ccn2c[nH+]cc2c1 ZINC000968936594 1336096501 /nfs/dbraw/zinc/09/65/01/1336096501.db2.gz LWQKPCKNHYWKLA-IEXSPKMKSA-N 2 0 346.862 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(C)C)C1 ZINC000968990707 1336112356 /nfs/dbraw/zinc/11/23/56/1336112356.db2.gz KZZFUMRTDVZHER-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000969066208 1336137176 /nfs/dbraw/zinc/13/71/76/1336137176.db2.gz MXTSGBDGTFCBSN-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153589 1336164624 /nfs/dbraw/zinc/16/46/24/1336164624.db2.gz KQFRBZITGFMDOU-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC000969706749 1336238550 /nfs/dbraw/zinc/23/85/50/1336238550.db2.gz OYTJWIQKFPGDFP-LSTHTHJFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000970673640 1336331876 /nfs/dbraw/zinc/33/18/76/1336331876.db2.gz VGRHYYDHTRCIBV-QGZVFWFLSA-N 2 0 349.563 3.124 20 0 EGADRP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](CC2CCCC2)CC1 ZINC001005585344 1336376305 /nfs/dbraw/zinc/37/63/05/1336376305.db2.gz RVDXSBQCEKOGPV-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005664434 1336389274 /nfs/dbraw/zinc/38/92/74/1336389274.db2.gz PXDHNTAJVCUNAT-UHFFFAOYSA-N 2 0 342.487 3.307 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005996735 1336435656 /nfs/dbraw/zinc/43/56/56/1336435656.db2.gz MOYRIETTWHAOTM-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007457130 1336650399 /nfs/dbraw/zinc/65/03/99/1336650399.db2.gz IORXAIJZAWWIKQ-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007498958 1336658621 /nfs/dbraw/zinc/65/86/21/1336658621.db2.gz MWLDVHPQCOHUKK-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007498685 1336658813 /nfs/dbraw/zinc/65/88/13/1336658813.db2.gz LOESSXNLCINIGL-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007744347 1336693504 /nfs/dbraw/zinc/69/35/04/1336693504.db2.gz JABAFVWJBQEZAT-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007786089 1336699819 /nfs/dbraw/zinc/69/98/19/1336699819.db2.gz JOLUFTKBWZTZCD-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801905 1336703687 /nfs/dbraw/zinc/70/36/87/1336703687.db2.gz UNURABASDLSOEK-LPHOPBHVSA-N 2 0 348.450 3.290 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001008529239 1336876274 /nfs/dbraw/zinc/87/62/74/1336876274.db2.gz DVBZTZQOHUVQMP-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749284 1336919786 /nfs/dbraw/zinc/91/97/86/1336919786.db2.gz RYDYIEMGGGYLAN-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749296 1336919947 /nfs/dbraw/zinc/91/99/47/1336919947.db2.gz RYDYIEMGGGYLAN-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001008767987 1336923363 /nfs/dbraw/zinc/92/33/63/1336923363.db2.gz MHJOOQGVBOXCTE-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008883154 1336937540 /nfs/dbraw/zinc/93/75/40/1336937540.db2.gz PVUKRURDCBFEPN-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050608 1336960647 /nfs/dbraw/zinc/96/06/47/1336960647.db2.gz MJAPGNCBDYKREV-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001009054367 1336961086 /nfs/dbraw/zinc/96/10/86/1336961086.db2.gz ZFAPVVLFICZRGY-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001009227884 1336988897 /nfs/dbraw/zinc/98/88/97/1336988897.db2.gz WNSSNOBWFRLSOC-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014391182 1337764192 /nfs/dbraw/zinc/76/41/92/1337764192.db2.gz BPIHOMQBPRAYHC-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014413552 1337770494 /nfs/dbraw/zinc/77/04/94/1337770494.db2.gz LWLKNZBHTVNUEV-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014413561 1337770944 /nfs/dbraw/zinc/77/09/44/1337770944.db2.gz LWLKNZBHTVNUEV-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCCC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014728088 1337889101 /nfs/dbraw/zinc/88/91/01/1337889101.db2.gz LBGILVPEXOSZQP-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015056672 1338004409 /nfs/dbraw/zinc/00/44/09/1338004409.db2.gz HRKKGUGPEPPVNG-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001015090768 1338014041 /nfs/dbraw/zinc/01/40/41/1338014041.db2.gz RSYBJDSSFYGMQQ-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112013 1338022650 /nfs/dbraw/zinc/02/26/50/1338022650.db2.gz AXNKXHWFXRUVTM-APWZRJJASA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001015503444 1338162125 /nfs/dbraw/zinc/16/21/25/1338162125.db2.gz JZMUIUSGDPTDPO-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)C2)cc1 ZINC001015840383 1338331878 /nfs/dbraw/zinc/33/18/78/1338331878.db2.gz WNHWPFVDUHJTQS-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001015973932 1338385741 /nfs/dbraw/zinc/38/57/41/1338385741.db2.gz VAWIOQZGHAETSZ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001016340279 1338555417 /nfs/dbraw/zinc/55/54/17/1338555417.db2.gz WFBLDBLTSKEAFU-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016619778 1338666446 /nfs/dbraw/zinc/66/64/46/1338666446.db2.gz CHRWEPAUTFXKBT-GOSISDBHSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623308 1338667897 /nfs/dbraw/zinc/66/78/97/1338667897.db2.gz CWHKWGJJKFZWNQ-HKUYNNGSSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016631340 1338669273 /nfs/dbraw/zinc/66/92/73/1338669273.db2.gz REZSIOBIAIFBIX-OTWHNJEPSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862482 1338751404 /nfs/dbraw/zinc/75/14/04/1338751404.db2.gz ZZWJYTVDSGARAT-MOPGFXCFSA-N 2 0 347.547 3.186 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016973557 1338788724 /nfs/dbraw/zinc/78/87/24/1338788724.db2.gz CXAQWUSKNZNXEB-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016986427 1338793762 /nfs/dbraw/zinc/79/37/62/1338793762.db2.gz QWSQOANYJXVGGD-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC23CC[NH+](C(C)C)CC3)o1 ZINC001016993978 1338797234 /nfs/dbraw/zinc/79/72/34/1338797234.db2.gz RNZYGTQXMMBQLF-SFHVURJKSA-N 2 0 347.503 3.114 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017129108 1338884786 /nfs/dbraw/zinc/88/47/86/1338884786.db2.gz XVQMKPOVMWYCMY-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(C)c2)C1)[NH+](C)C ZINC001017213422 1338957612 /nfs/dbraw/zinc/95/76/12/1338957612.db2.gz SKRXGXDWHGUGAJ-UXHICEINSA-N 2 0 345.531 3.006 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017706725 1339395742 /nfs/dbraw/zinc/39/57/42/1339395742.db2.gz VIEHSGOWDFXSQP-HDICACEKSA-N 2 0 340.471 3.059 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001018024964 1339485140 /nfs/dbraw/zinc/48/51/40/1339485140.db2.gz DKTOADQXCWRZHB-HSALFYBXSA-N 2 0 349.563 3.361 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001028087824 1340417898 /nfs/dbraw/zinc/41/78/98/1340417898.db2.gz AIJFZTXWYBSEAX-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093037 1340421448 /nfs/dbraw/zinc/42/14/48/1340421448.db2.gz GKBXFAHNXIKDHY-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001028335072 1340572743 /nfs/dbraw/zinc/57/27/43/1340572743.db2.gz NLCGUFUEWCKBAO-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001028549703 1340696635 /nfs/dbraw/zinc/69/66/35/1340696635.db2.gz VRMMLQMVQBKHCO-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCC(C)(C)C)C2)cc1 ZINC001028870459 1340869690 /nfs/dbraw/zinc/86/96/90/1340869690.db2.gz QBTJTNGFNKZQQW-GOSISDBHSA-N 2 0 345.531 3.236 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCC(C)C)C2)o1 ZINC001029012611 1340909023 /nfs/dbraw/zinc/90/90/23/1340909023.db2.gz ORAMLKJPFDEXRR-QGZVFWFLSA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029099891 1340929947 /nfs/dbraw/zinc/92/99/47/1340929947.db2.gz XWXJVXWJVNWLBH-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001029111791 1340932690 /nfs/dbraw/zinc/93/26/90/1340932690.db2.gz OMVLSWUIHDRWMN-FXAWDEMLSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001029125133 1340935942 /nfs/dbraw/zinc/93/59/42/1340935942.db2.gz RWHQQFNUPORZEM-LXPRWKDFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1)[NH+](C)C ZINC001029346908 1340974900 /nfs/dbraw/zinc/97/49/00/1340974900.db2.gz HGJCHPYLSZRQQJ-FFGOWVMKSA-N 2 0 343.515 3.009 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029799917 1341077071 /nfs/dbraw/zinc/07/70/71/1341077071.db2.gz HPZHHYVXAIZQDX-QGZVFWFLSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001029843976 1341093075 /nfs/dbraw/zinc/09/30/75/1341093075.db2.gz UBWGUTKYOURJRL-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001029910429 1341113894 /nfs/dbraw/zinc/11/38/94/1341113894.db2.gz LBKMBLWVXKIBHO-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029964452 1341136905 /nfs/dbraw/zinc/13/69/05/1341136905.db2.gz JNGJSHMQHHELAP-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)CC3CCCC3)CC2)CC[N@@H+]1C ZINC001029966562 1341137351 /nfs/dbraw/zinc/13/73/51/1341137351.db2.gz YSJBZYCIBAHJAM-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029970159 1341138910 /nfs/dbraw/zinc/13/89/10/1341138910.db2.gz NYLQZVIEWGQOJP-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CC(C[N@H+](C)CC2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001029970775 1341139076 /nfs/dbraw/zinc/13/90/76/1341139076.db2.gz PEWMZKBBRMETSM-UUKMXZOPSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001030020168 1341159638 /nfs/dbraw/zinc/15/96/38/1341159638.db2.gz KXAYGRSYIDVWTH-RVKKMQEKSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001030020188 1341159653 /nfs/dbraw/zinc/15/96/53/1341159653.db2.gz ULYODRITZQCGRP-JCGIZDLHSA-N 2 0 349.906 3.076 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC1 ZINC001030026660 1341160966 /nfs/dbraw/zinc/16/09/66/1341160966.db2.gz ZTWSRLDAPMXESG-KPZODNFCSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC1 ZINC001030033552 1341162299 /nfs/dbraw/zinc/16/22/99/1341162299.db2.gz ZTWSRLDAPMXESG-TZCBXBLLSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001031254571 1341304225 /nfs/dbraw/zinc/30/42/25/1341304225.db2.gz VNKMVQVSKHYSFU-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001032206224 1341472897 /nfs/dbraw/zinc/47/28/97/1341472897.db2.gz VJQXPAAIOUZAHC-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032802675 1341618792 /nfs/dbraw/zinc/61/87/92/1341618792.db2.gz JIEGCDOETNEXPZ-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032813244 1341624695 /nfs/dbraw/zinc/62/46/95/1341624695.db2.gz ZRUAXINTDQOZTO-ULQDDVLXSA-N 2 0 347.503 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033072987 1341716156 /nfs/dbraw/zinc/71/61/56/1341716156.db2.gz OJXDKOOEASFFEM-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033074439 1341716226 /nfs/dbraw/zinc/71/62/26/1341716226.db2.gz AEQJWROHGYLKRQ-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033147123 1341739703 /nfs/dbraw/zinc/73/97/03/1341739703.db2.gz SVANWFSEPWBZHC-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(CC)CC)C2)C1 ZINC001033353001 1341793385 /nfs/dbraw/zinc/79/33/85/1341793385.db2.gz CHTSOANVYGLIST-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001033466634 1341836874 /nfs/dbraw/zinc/83/68/74/1341836874.db2.gz HATJBHZZXMAUEB-SJLPKXTDSA-N 2 0 349.544 3.045 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033472046 1341840182 /nfs/dbraw/zinc/84/01/82/1341840182.db2.gz RCSKUJGMGKHCHY-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472181 1341840236 /nfs/dbraw/zinc/84/02/36/1341840236.db2.gz SMOXEIRSTXBXSQ-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033472654 1341840327 /nfs/dbraw/zinc/84/03/27/1341840327.db2.gz ZRRVAJGLHVMPDP-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033932345 1342096845 /nfs/dbraw/zinc/09/68/45/1342096845.db2.gz LRGPKCFOJFZEAI-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209584 1342319555 /nfs/dbraw/zinc/31/95/55/1342319555.db2.gz BXJCXJUMIKYMSM-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001034217581 1342323833 /nfs/dbraw/zinc/32/38/33/1342323833.db2.gz TYWRWFQGNDCDNA-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249961 1342346376 /nfs/dbraw/zinc/34/63/76/1342346376.db2.gz NNKCJRCMRFSLDN-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001034257761 1342351783 /nfs/dbraw/zinc/35/17/83/1342351783.db2.gz LSZFJZJDOPLFIX-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001034526200 1342582923 /nfs/dbraw/zinc/58/29/23/1342582923.db2.gz VQSTXQJEUOMQGG-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525203 1342583376 /nfs/dbraw/zinc/58/33/76/1342583376.db2.gz KCMWCWQQVZAUKO-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034538253 1342595515 /nfs/dbraw/zinc/59/55/15/1342595515.db2.gz KHDRVTIOXZLPDX-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543336 1342603862 /nfs/dbraw/zinc/60/38/62/1342603862.db2.gz ZXINEWCOFZPXNF-PKOBYXMFSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034642609 1342667430 /nfs/dbraw/zinc/66/74/30/1342667430.db2.gz IKEYHMLXYNNTCB-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034642768 1342668720 /nfs/dbraw/zinc/66/87/20/1342668720.db2.gz LDGKTDNSWMGTGL-UFYCRDLUSA-N 2 0 343.515 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034658286 1342675284 /nfs/dbraw/zinc/67/52/84/1342675284.db2.gz DPKDFBGVCGNKAV-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034673494 1342684623 /nfs/dbraw/zinc/68/46/23/1342684623.db2.gz BPBMTEAGMWGBOT-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)CC1 ZINC001034721949 1342715782 /nfs/dbraw/zinc/71/57/82/1342715782.db2.gz SFKHUYKGGGJVCS-MXVIHJGJSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1ccccc1 ZINC001034733472 1342728477 /nfs/dbraw/zinc/72/84/77/1342728477.db2.gz CPKRLOJMJGUYNX-ZULIPRJHSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001034737937 1342729298 /nfs/dbraw/zinc/72/92/98/1342729298.db2.gz PCSYVQMHGKXEGK-BHIYHBOVSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034796592 1342763366 /nfs/dbraw/zinc/76/33/66/1342763366.db2.gz KAPDWMMXDBZBNL-HNBVOPMISA-N 2 0 347.547 3.377 20 0 EGADRP Cc1c(C(=O)NCc2ccc(C[NH2+]C(C)C)cc2)ccc2c[nH+]cn21 ZINC001034819525 1342782375 /nfs/dbraw/zinc/78/23/75/1342782375.db2.gz VMLFXUHABMQQTJ-UHFFFAOYSA-N 2 0 336.439 3.071 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]C(C)C)cc1 ZINC001034828155 1342788905 /nfs/dbraw/zinc/78/89/05/1342788905.db2.gz MEHJPKGBMMQZCJ-FQEVSTJZSA-N 2 0 345.531 3.455 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957881 1342852685 /nfs/dbraw/zinc/85/26/85/1342852685.db2.gz NXEAXDOYSYQFPX-IEBWSBKVSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034958113 1342852984 /nfs/dbraw/zinc/85/29/84/1342852984.db2.gz AHFSNRYHOLHBJB-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001034958267 1342853008 /nfs/dbraw/zinc/85/30/08/1342853008.db2.gz FSZSHJGKOLGTOV-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001035052040 1342899064 /nfs/dbraw/zinc/89/90/64/1342899064.db2.gz CUIPGBRVLHMAPO-NSHGMRRFSA-N 2 0 345.531 3.285 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001035052350 1342899390 /nfs/dbraw/zinc/89/93/90/1342899390.db2.gz LHMPDYYKLDQKKM-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001035069662 1342910898 /nfs/dbraw/zinc/91/08/98/1342910898.db2.gz CSXMXUJYACVSFY-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)c1 ZINC001035134190 1342950072 /nfs/dbraw/zinc/95/00/72/1342950072.db2.gz XTJWVWWWFFKPGR-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035210231 1343028978 /nfs/dbraw/zinc/02/89/78/1343028978.db2.gz IMBHIZWOWVQVCT-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244226 1343065344 /nfs/dbraw/zinc/06/53/44/1343065344.db2.gz LYTMSORFGAUCST-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1)[NH+](C)C ZINC001035726884 1343155254 /nfs/dbraw/zinc/15/52/54/1343155254.db2.gz GSVLSLYSLFABBG-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035767969 1343179895 /nfs/dbraw/zinc/17/98/95/1343179895.db2.gz YNPNRMWJETVJAN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC3(C[NH+](C[C@@H](C)CC)C3)CC2)C1 ZINC001035773321 1343184342 /nfs/dbraw/zinc/18/43/42/1343184342.db2.gz XBDQJKGPKGXLFY-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036183872 1343351076 /nfs/dbraw/zinc/35/10/76/1343351076.db2.gz VEPSIEDJPLLOQI-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)[C@@H](C)C2)CC1 ZINC001036227183 1343369500 /nfs/dbraw/zinc/36/95/00/1343369500.db2.gz WGQUMXSHRBPAGE-AZUAARDMSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036574314 1343560693 /nfs/dbraw/zinc/56/06/93/1343560693.db2.gz JQFICMURXIINIV-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036577331 1343562586 /nfs/dbraw/zinc/56/25/86/1343562586.db2.gz GHTOHZQFJUNJTL-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717426 1343649547 /nfs/dbraw/zinc/64/95/47/1343649547.db2.gz VRUMTEYKNNMVTQ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755269 1343677759 /nfs/dbraw/zinc/67/77/59/1343677759.db2.gz TWJCGUNLUJGBKA-MJGOQNOKSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1[NH2+]C(C)C ZINC001037854433 1344140026 /nfs/dbraw/zinc/14/00/26/1344140026.db2.gz XMQWGYDZUSCVFP-ZBFHGGJFSA-N 2 0 337.533 3.048 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001038348898 1344391723 /nfs/dbraw/zinc/39/17/23/1344391723.db2.gz DMKGFDZFTPLKBA-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001038431654 1344425777 /nfs/dbraw/zinc/42/57/77/1344425777.db2.gz KCTYXLNSNXDLSM-BEFAXECRSA-N 2 0 348.450 3.208 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038464250 1344435133 /nfs/dbraw/zinc/43/51/33/1344435133.db2.gz CEJURCFANKLAIE-LPHOPBHVSA-N 2 0 348.450 3.208 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038621660 1344508838 /nfs/dbraw/zinc/50/88/38/1344508838.db2.gz GHOBFTMPYXNUIF-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)c2ccccc2)CC1 ZINC001038872467 1344621753 /nfs/dbraw/zinc/62/17/53/1344621753.db2.gz PEKHUKHJGVUVNB-FXAWDEMLSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001038906602 1344644309 /nfs/dbraw/zinc/64/43/09/1344644309.db2.gz CHSZJXBAFJMSLG-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCC2)c1 ZINC001039040525 1344728512 /nfs/dbraw/zinc/72/85/12/1344728512.db2.gz RNHHGNHDRZLCBV-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039140254 1344820354 /nfs/dbraw/zinc/82/03/54/1344820354.db2.gz RJTRPRWDGIHVQK-UXHICEINSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039175835 1344867149 /nfs/dbraw/zinc/86/71/49/1344867149.db2.gz DWLOTGXONYJXTL-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001039232121 1344951758 /nfs/dbraw/zinc/95/17/58/1344951758.db2.gz SZSSIOTVZJTPGJ-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237582 1344960835 /nfs/dbraw/zinc/96/08/35/1344960835.db2.gz HQCMTZJGDAPBLJ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039288962 1344998063 /nfs/dbraw/zinc/99/80/63/1344998063.db2.gz LFJHXZUIPUJFDV-ZNBHLAFESA-N 2 0 347.547 3.304 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039313547 1345009143 /nfs/dbraw/zinc/00/91/43/1345009143.db2.gz AINKKZVNQCRURT-XVLXNVKGSA-N 2 0 335.536 3.017 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039387162 1345039703 /nfs/dbraw/zinc/03/97/03/1345039703.db2.gz VVRVIQUZJRWCEX-AABGKKOBSA-N 2 0 347.547 3.259 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039389858 1345040842 /nfs/dbraw/zinc/04/08/42/1345040842.db2.gz MNOKCONCNHUVSH-QYZOEREBSA-N 2 0 337.552 3.074 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452467 1345075592 /nfs/dbraw/zinc/07/55/92/1345075592.db2.gz XOONUWMSPFDAJB-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001040006336 1345284954 /nfs/dbraw/zinc/28/49/54/1345284954.db2.gz ZNFMFWMQTUFPNO-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)CC[N@@H+]1C ZINC001040209401 1345376256 /nfs/dbraw/zinc/37/62/56/1345376256.db2.gz JHBFIPFFTGHYSJ-DBXWQHBBSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040264108 1345402149 /nfs/dbraw/zinc/40/21/49/1345402149.db2.gz LSFQPYDBPLPIMO-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349127 1345447356 /nfs/dbraw/zinc/44/73/56/1345447356.db2.gz VGUALUWYJUXYHY-FPOVZHCZSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC1CCC1)C2)[NH+](C)C ZINC001040397677 1345475816 /nfs/dbraw/zinc/47/58/16/1345475816.db2.gz CEISZCABNJDZAA-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433187 1345496658 /nfs/dbraw/zinc/49/66/58/1345496658.db2.gz UIDIBSZPGVPQJC-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC)C2 ZINC001040489597 1345516671 /nfs/dbraw/zinc/51/66/71/1345516671.db2.gz VXAVSDYVQFPQJY-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC)C3)o1 ZINC001040548712 1345542595 /nfs/dbraw/zinc/54/25/95/1345542595.db2.gz UQNAQONTJAJGQI-FQEVSTJZSA-N 2 0 347.503 3.069 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733234 1345572190 /nfs/dbraw/zinc/57/21/90/1345572190.db2.gz QQRFJRAMUONNLH-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042187097 1345974261 /nfs/dbraw/zinc/97/42/61/1345974261.db2.gz LOSJDEAXEYIFSU-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3CC[N@H+](CCC(C)(C)C)[C@@H]3C2)CC1 ZINC001042287135 1346017779 /nfs/dbraw/zinc/01/77/79/1346017779.db2.gz GDTWYNIJWDDFMO-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042286695 1346017801 /nfs/dbraw/zinc/01/78/01/1346017801.db2.gz BUEZGPAZFVEKOO-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001043072770 1346137116 /nfs/dbraw/zinc/13/71/16/1346137116.db2.gz HRMSQYMXCMITNB-ICSRJNTNSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001043198476 1346152171 /nfs/dbraw/zinc/15/21/71/1346152171.db2.gz QVAFXTIULPXBOI-AFMYVXGZSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044745776 1346418984 /nfs/dbraw/zinc/41/89/84/1346418984.db2.gz ZQZVRRPHELHEII-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1nc[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045289892 1346551001 /nfs/dbraw/zinc/55/10/01/1346551001.db2.gz ARBVDEJZHFDRRK-KRWDZBQOSA-N 2 0 346.519 3.058 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045474848 1346602667 /nfs/dbraw/zinc/60/26/67/1346602667.db2.gz BTVSYENUTAEWDH-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045640384 1346655749 /nfs/dbraw/zinc/65/57/49/1346655749.db2.gz PATGKTYWKYGANY-RTBURBONSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045776068 1346695582 /nfs/dbraw/zinc/69/55/82/1346695582.db2.gz GBKORQABMOJNII-CEXWTWQISA-N 2 0 349.563 3.361 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001045803552 1346702946 /nfs/dbraw/zinc/70/29/46/1346702946.db2.gz YMZKMJVWASCFKY-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001045847931 1346719899 /nfs/dbraw/zinc/71/98/99/1346719899.db2.gz YZSMQYYIQDXQSR-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943344 1346779089 /nfs/dbraw/zinc/77/90/89/1346779089.db2.gz IILQJKWWDDYHMW-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943470 1346779395 /nfs/dbraw/zinc/77/93/95/1346779395.db2.gz IWOSMCTXPSFHGX-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945733 1346781468 /nfs/dbraw/zinc/78/14/68/1346781468.db2.gz YIVFACXBHQYSGK-ICSRJNTNSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945732 1346781570 /nfs/dbraw/zinc/78/15/70/1346781570.db2.gz YIVFACXBHQYSGK-AZUAARDMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960977 1346796518 /nfs/dbraw/zinc/79/65/18/1346796518.db2.gz XZNFBALJITTWRL-HXUWFJFHSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045964993 1346800548 /nfs/dbraw/zinc/80/05/48/1346800548.db2.gz BBJFHDQRSACAPG-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046368917 1346952033 /nfs/dbraw/zinc/95/20/33/1346952033.db2.gz KFMLNGGVJRJRHC-PZJWPPBQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046375700 1346954251 /nfs/dbraw/zinc/95/42/51/1346954251.db2.gz OTXIJLFWOZLZAU-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046375703 1346954810 /nfs/dbraw/zinc/95/48/10/1346954810.db2.gz OTXIJLFWOZLZAU-PZJWPPBQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046437956 1346975543 /nfs/dbraw/zinc/97/55/43/1346975543.db2.gz YCJKHJZAIACCAX-HXUWFJFHSA-N 2 0 342.487 3.273 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@H+](CC3CCCC3)C2)c1 ZINC001046852873 1347130187 /nfs/dbraw/zinc/13/01/87/1347130187.db2.gz QXIRYPFFJDZCCS-NRFANRHFSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863715 1347137137 /nfs/dbraw/zinc/13/71/37/1347137137.db2.gz HFOBXZIVIDDOMI-JXFKEZNVSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047244087 1347269901 /nfs/dbraw/zinc/26/99/01/1347269901.db2.gz PLSNZCKFSVPRJW-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047244407 1347270127 /nfs/dbraw/zinc/27/01/27/1347270127.db2.gz RJLQHJZTHXZBTH-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001048276414 1347508538 /nfs/dbraw/zinc/50/85/38/1347508538.db2.gz GYKBYNDGDQJNFR-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@H]2C)CC[N@@H+]1C ZINC001079732188 1357360664 /nfs/dbraw/zinc/36/06/64/1357360664.db2.gz CRFBPBMIWDPEMF-GSEOLPGOSA-N 2 0 347.547 3.044 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525207 1347577450 /nfs/dbraw/zinc/57/74/50/1347577450.db2.gz OYNBYTHSMLKJBP-FSGKZVOOSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001048529969 1347579981 /nfs/dbraw/zinc/57/99/81/1347579981.db2.gz AEZLYQAQJWDKRG-UHZRXMQZSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048539814 1347584022 /nfs/dbraw/zinc/58/40/22/1347584022.db2.gz SLYJYCGLLAHQEL-YRPNKDGESA-N 2 0 349.563 3.122 20 0 EGADRP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001048558725 1347592576 /nfs/dbraw/zinc/59/25/76/1347592576.db2.gz ZEJQCIWNCVAFHT-GSEOLPGOSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001049476194 1347868271 /nfs/dbraw/zinc/86/82/71/1347868271.db2.gz CSAHPJBURPPMBK-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049654000 1347957097 /nfs/dbraw/zinc/95/70/97/1347957097.db2.gz FOOJXBFMNCARLL-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1 ZINC001049898216 1348099460 /nfs/dbraw/zinc/09/94/60/1348099460.db2.gz XOQBCNWHKHAZHK-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049914880 1348109333 /nfs/dbraw/zinc/10/93/33/1348109333.db2.gz RQGRRJNUICMFSP-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919395 1348112937 /nfs/dbraw/zinc/11/29/37/1348112937.db2.gz OVLHACQPTKDIPG-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049922147 1348113941 /nfs/dbraw/zinc/11/39/41/1348113941.db2.gz YEIICCXGGUOYJS-XUVXKRRUSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001050144870 1348194702 /nfs/dbraw/zinc/19/47/02/1348194702.db2.gz QGPACZVULIWGNC-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001050340816 1348232054 /nfs/dbraw/zinc/23/20/54/1348232054.db2.gz FHZFYOZPBZAFDV-SAABIXHNSA-N 2 0 340.471 3.013 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050543766 1348286894 /nfs/dbraw/zinc/28/68/94/1348286894.db2.gz LQNDLFXEWPMRIC-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001050718156 1348335901 /nfs/dbraw/zinc/33/59/01/1348335901.db2.gz MUKDDDDHJCEPEI-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001052376873 1348535352 /nfs/dbraw/zinc/53/53/52/1348535352.db2.gz KEBDEWKVJDIXJQ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447030 1348543852 /nfs/dbraw/zinc/54/38/52/1348543852.db2.gz VVIOPJYBHKKEHO-RBUKOAKNSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CC2)CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001052447377 1348543935 /nfs/dbraw/zinc/54/39/35/1348543935.db2.gz CUEKYQKOUXTPLM-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cs1 ZINC001052498959 1348559601 /nfs/dbraw/zinc/55/96/01/1348559601.db2.gz LOTPIUGWUTWTQQ-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052498668 1348559701 /nfs/dbraw/zinc/55/97/01/1348559701.db2.gz JFFHMTUUEXANDW-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cs1 ZINC001052498957 1348559858 /nfs/dbraw/zinc/55/98/58/1348559858.db2.gz LOTPIUGWUTWTQQ-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526314 1348565906 /nfs/dbraw/zinc/56/59/06/1348565906.db2.gz BBLJABFLCDXVAS-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001052529335 1348567121 /nfs/dbraw/zinc/56/71/21/1348567121.db2.gz PWLMJTSKUSCNQZ-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651681 1348614533 /nfs/dbraw/zinc/61/45/33/1348614533.db2.gz LQNBPNMQKNVPIB-HKUYNNGSSA-N 2 0 335.536 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052715248 1348645767 /nfs/dbraw/zinc/64/57/67/1348645767.db2.gz BGZVYKLOJREJFW-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765465 1348670357 /nfs/dbraw/zinc/67/03/57/1348670357.db2.gz ZYIASDCGMHYMML-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788602 1348680100 /nfs/dbraw/zinc/68/01/00/1348680100.db2.gz TYZSICYTOZDQTR-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)CC2)CC1 ZINC001052819016 1348688899 /nfs/dbraw/zinc/68/88/99/1348688899.db2.gz BUEXQOHRPUPUFE-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052871018 1348711963 /nfs/dbraw/zinc/71/19/63/1348711963.db2.gz BGNAEWUSKMYAIM-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036898 1348837433 /nfs/dbraw/zinc/83/74/33/1348837433.db2.gz RVDNOTLWYKNBJF-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038661 1348839963 /nfs/dbraw/zinc/83/99/63/1348839963.db2.gz ABPDNMWPOBUCQB-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054153901 1349156899 /nfs/dbraw/zinc/15/68/99/1349156899.db2.gz MRLOTAKHFYAFEW-UYAOXDASSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197747 1349200313 /nfs/dbraw/zinc/20/03/13/1349200313.db2.gz HSBBIGPUKYFZKY-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054244242 1349237813 /nfs/dbraw/zinc/23/78/13/1349237813.db2.gz UASXJDFSFAKIBW-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)cc2C1 ZINC001054272004 1349271759 /nfs/dbraw/zinc/27/17/59/1349271759.db2.gz AKICXUXBFUTPSG-HXUWFJFHSA-N 2 0 343.515 3.149 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001054297852 1349302495 /nfs/dbraw/zinc/30/24/95/1349302495.db2.gz OQKZEWIWIOGDHU-ATZDWAIDSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001080021561 1357460592 /nfs/dbraw/zinc/46/05/92/1357460592.db2.gz FWVDZUMTSBLYJW-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC001080700286 1357723477 /nfs/dbraw/zinc/72/34/77/1357723477.db2.gz UVPRBUJMDBIYFW-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984774 1358937473 /nfs/dbraw/zinc/93/74/73/1358937473.db2.gz MXHPKRZARICBRH-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCC(C)(C)C ZINC001071646162 1354824342 /nfs/dbraw/zinc/82/43/42/1354824342.db2.gz SNLDPTRBDFBCED-SJORKVTESA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CCC(C)(C)C ZINC001071653004 1354827795 /nfs/dbraw/zinc/82/77/95/1354827795.db2.gz RBTNADLZCXTKBZ-DOTOQJQBSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCCC1CCC1 ZINC001071822205 1354962033 /nfs/dbraw/zinc/96/20/33/1354962033.db2.gz VTXPTAMKPFIIHL-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)o1 ZINC001072109576 1355136634 /nfs/dbraw/zinc/13/66/34/1355136634.db2.gz JHSLWRDJRPABJQ-NVXWUHKLSA-N 2 0 347.503 3.114 20 0 EGADRP C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001072297773 1355227307 /nfs/dbraw/zinc/22/73/07/1355227307.db2.gz ODJFNZCQFRRGQU-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001074018297 1356037486 /nfs/dbraw/zinc/03/74/86/1356037486.db2.gz VNBDUAGZMRXBSS-BHIYHBOVSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074693512 1356224677 /nfs/dbraw/zinc/22/46/77/1356224677.db2.gz DKTPSYYNPOFDSV-UHOSZYNNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001074767312 1356234022 /nfs/dbraw/zinc/23/40/22/1356234022.db2.gz POBINUZQHMLMSH-FFZOFVMBSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001074885393 1356279506 /nfs/dbraw/zinc/27/95/06/1356279506.db2.gz AZDKMKSZYDCKCN-WNHJNPCNSA-N 2 0 331.504 3.057 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458888 1356391408 /nfs/dbraw/zinc/39/14/08/1356391408.db2.gz SALREMZGPVYZGB-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458911 1356391873 /nfs/dbraw/zinc/39/18/73/1356391873.db2.gz SPIKJFUIFYAPNV-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107388 1363626388 /nfs/dbraw/zinc/62/63/88/1363626388.db2.gz YWHDZRSMIGYQBZ-ZSQQTYLHSA-N 2 0 349.563 3.290 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099298303 1363737364 /nfs/dbraw/zinc/73/73/64/1363737364.db2.gz KMWNKGKOTKQFLO-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001183509503 1387315277 /nfs/dbraw/zinc/31/52/77/1387315277.db2.gz JOAYNVUNEUJGDL-DYESRHJHSA-N 2 0 345.531 3.236 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(CC)CC)[C@H]2C1 ZINC001084952633 1358354178 /nfs/dbraw/zinc/35/41/78/1358354178.db2.gz BCXBIXXUQCKZEE-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001085153006 1358413982 /nfs/dbraw/zinc/41/39/82/1358413982.db2.gz YRALPFFNWIHLBI-QRVBRYPASA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085225030 1358437729 /nfs/dbraw/zinc/43/77/29/1358437729.db2.gz FJVZCNIIQZJPJM-IPMKNSEASA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085308100 1358462372 /nfs/dbraw/zinc/46/23/72/1358462372.db2.gz CTHYKAJOYZJVSS-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCCC2)CC[N@@H+]1C ZINC001085782793 1358758842 /nfs/dbraw/zinc/75/88/42/1358758842.db2.gz DRPFBHGFTKHKRF-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085855888 1358822790 /nfs/dbraw/zinc/82/27/90/1358822790.db2.gz LZHIQLFOVNFHCJ-MOPGFXCFSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)C ZINC001085919045 1358878236 /nfs/dbraw/zinc/87/82/36/1358878236.db2.gz RHVZLIKMABBMCC-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCC1 ZINC001085918646 1358878894 /nfs/dbraw/zinc/87/88/94/1358878894.db2.gz JKJAHVSKUBXHCD-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085988161 1358938693 /nfs/dbraw/zinc/93/86/93/1358938693.db2.gz WRSIMOZBSOIFJZ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086084329 1358991810 /nfs/dbraw/zinc/99/18/10/1358991810.db2.gz MGUPTSHFVQADAQ-VWAQSERHSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086084200 1358992093 /nfs/dbraw/zinc/99/20/93/1358992093.db2.gz HQWDMCXCBLACCI-HSALFYBXSA-N 2 0 347.547 3.234 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001086122813 1359002955 /nfs/dbraw/zinc/00/29/55/1359002955.db2.gz ZECLESJSAFSQRG-GSEOLPGOSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086175494 1359015326 /nfs/dbraw/zinc/01/53/26/1359015326.db2.gz ZBQJHJSZDBOFJS-YTQUADARSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086253895 1359042934 /nfs/dbraw/zinc/04/29/34/1359042934.db2.gz ZTEZMZGAKDMCFO-YSHGAJCASA-N 2 0 349.563 3.027 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086534157 1359135040 /nfs/dbraw/zinc/13/50/40/1359135040.db2.gz SIRMINBPTABSSD-LWYYNNOASA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086710073 1359190300 /nfs/dbraw/zinc/19/03/00/1359190300.db2.gz IHUUTQWPDYGYMH-DOTOQJQBSA-N 2 0 349.544 3.098 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001086875626 1359218907 /nfs/dbraw/zinc/21/89/07/1359218907.db2.gz ZSTMMYPLBNKKCL-SLFFLAALSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086927076 1359251953 /nfs/dbraw/zinc/25/19/53/1359251953.db2.gz RNJXMBDVHKICMU-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CCC(C)C)CC2)[NH+](C)C ZINC001086942819 1359264294 /nfs/dbraw/zinc/26/42/94/1359264294.db2.gz BMTGQOLWLBSYFI-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001087181716 1359314564 /nfs/dbraw/zinc/31/45/64/1359314564.db2.gz FNMBJYJECYCAEQ-YZGWKJHDSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087235973 1359328248 /nfs/dbraw/zinc/32/82/48/1359328248.db2.gz BSGNYAZLEABRRZ-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303493 1359387097 /nfs/dbraw/zinc/38/70/97/1359387097.db2.gz MLXAYAJBMDCHHY-NEWSRXKRSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087306515 1359393298 /nfs/dbraw/zinc/39/32/98/1359393298.db2.gz JWRUFRSMBOCTBQ-YZGWKJHDSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC=C(C)C ZINC001087572172 1359537509 /nfs/dbraw/zinc/53/75/09/1359537509.db2.gz FODBPXOQFLPWRU-ZWKOTPCHSA-N 2 0 335.536 3.186 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001087671991 1359582846 /nfs/dbraw/zinc/58/28/46/1359582846.db2.gz YXCLJEGCNYFXBI-IPMKNSEASA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CCC1CC1 ZINC001087749231 1359626387 /nfs/dbraw/zinc/62/63/87/1359626387.db2.gz AIUBEXPYFSHKHK-IPMKNSEASA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CC=C(C)C ZINC001087749584 1359626889 /nfs/dbraw/zinc/62/68/89/1359626889.db2.gz QISQQNWTYKRYCT-IPMKNSEASA-N 2 0 335.536 3.185 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129769 1359768225 /nfs/dbraw/zinc/76/82/25/1359768225.db2.gz DZLLAIILAFEVLB-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088280296 1359825683 /nfs/dbraw/zinc/82/56/83/1359825683.db2.gz NNPDHTGYQNLETM-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088381606 1359864805 /nfs/dbraw/zinc/86/48/05/1359864805.db2.gz IUAHFFCIYFSNOT-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001088404866 1359877262 /nfs/dbraw/zinc/87/72/62/1359877262.db2.gz IVFZMSQNJQBFOT-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001088424942 1359893567 /nfs/dbraw/zinc/89/35/67/1359893567.db2.gz JPLKVKXNXURCSN-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@H]([NH2+]CC3CC3)C2)c1 ZINC001088430145 1359897728 /nfs/dbraw/zinc/89/77/28/1359897728.db2.gz IUJPCYAWXQXJGR-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088563487 1359973737 /nfs/dbraw/zinc/97/37/37/1359973737.db2.gz SGWXIJAGBVFEOI-NZSAHSFTSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001088810293 1360059122 /nfs/dbraw/zinc/05/91/22/1360059122.db2.gz VCSXWUIWKPWFOG-NEWSRXKRSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812225 1360060930 /nfs/dbraw/zinc/06/09/30/1360060930.db2.gz SAHIXIJKOMCZFU-NEWSRXKRSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088898350 1360097738 /nfs/dbraw/zinc/09/77/38/1360097738.db2.gz AYXSVPUAFBMATP-FGTMMUONSA-N 2 0 337.552 3.265 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001089226331 1360268194 /nfs/dbraw/zinc/26/81/94/1360268194.db2.gz FTCVUXZGNYENEA-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089475278 1360458661 /nfs/dbraw/zinc/45/86/61/1360458661.db2.gz ADGZSACLKOVTFW-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089538584 1360496635 /nfs/dbraw/zinc/49/66/35/1360496635.db2.gz XDFAENSNLYHGII-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565419 1360512498 /nfs/dbraw/zinc/51/24/98/1360512498.db2.gz RMXODRKCDKQBDE-SFHVURJKSA-N 2 0 345.531 3.377 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089646029 1360557751 /nfs/dbraw/zinc/55/77/51/1360557751.db2.gz HBWKCTLCCXFHSI-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001089685513 1360590909 /nfs/dbraw/zinc/59/09/09/1360590909.db2.gz DFLPBKBFJXVDOR-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCC2)CC[N@@H+]1C ZINC001089686725 1360592573 /nfs/dbraw/zinc/59/25/73/1360592573.db2.gz XIUFJNHQOOIUCC-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723850 1360627093 /nfs/dbraw/zinc/62/70/93/1360627093.db2.gz PAWABBHSJITFSB-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCCC2CCC2)C1 ZINC001089732190 1360636027 /nfs/dbraw/zinc/63/60/27/1360636027.db2.gz OPNKANUVXAIUTM-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001184694830 1387511910 /nfs/dbraw/zinc/51/19/10/1387511910.db2.gz ZQUBGBVOWCRZJW-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736514 1361451286 /nfs/dbraw/zinc/45/12/86/1361451286.db2.gz TXUQRZTUTOGCNL-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001094040058 1361728305 /nfs/dbraw/zinc/72/83/05/1361728305.db2.gz AZYPHAWUDHTZPD-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC001094582621 1361870569 /nfs/dbraw/zinc/87/05/69/1361870569.db2.gz SMJODBYWNMGXLK-TZIWHRDSSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095407444 1362130460 /nfs/dbraw/zinc/13/04/60/1362130460.db2.gz ZTFQAQLWDJRGJY-OWSLCNJRSA-N 2 0 335.536 3.017 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001095499207 1362157386 /nfs/dbraw/zinc/15/73/86/1362157386.db2.gz UUDQCBYSJJFVBR-FYQPLNBISA-N 2 0 345.531 3.083 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001096012084 1362334054 /nfs/dbraw/zinc/33/40/54/1362334054.db2.gz NEXBJMHXQWNFLP-LMCOJAPRSA-N 2 0 347.547 3.163 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)C1 ZINC001096022372 1362337771 /nfs/dbraw/zinc/33/77/71/1362337771.db2.gz NJHMPYUMPHOQJC-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097219217 1362890713 /nfs/dbraw/zinc/89/07/13/1362890713.db2.gz XABATMRWKGEJLH-MKXGPGLRSA-N 2 0 335.536 3.017 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001324339489 1387598060 /nfs/dbraw/zinc/59/80/60/1387598060.db2.gz GWWXRNGBNZHDAM-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)[NH+]1CCCC1 ZINC001097639390 1363086239 /nfs/dbraw/zinc/08/62/39/1363086239.db2.gz RSPFNCWGCPFGPK-QRVBRYPASA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097848249 1363140680 /nfs/dbraw/zinc/14/06/80/1363140680.db2.gz NUELPHXHERMOSH-NBYUQASBSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098460568 1363332414 /nfs/dbraw/zinc/33/24/14/1363332414.db2.gz GORQHNXWKIUWQJ-RLLQIKCJSA-N 2 0 343.515 3.129 20 0 EGADRP CCC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098825860 1363483562 /nfs/dbraw/zinc/48/35/62/1363483562.db2.gz HSPWIVJLVNFBEE-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098975123 1363549486 /nfs/dbraw/zinc/54/94/86/1363549486.db2.gz DNCQIQMXUIMFHS-YMHTTXFNSA-N 2 0 349.563 3.434 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099063326 1363602822 /nfs/dbraw/zinc/60/28/22/1363602822.db2.gz WLZDMZUJNLETHT-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099081246 1363613128 /nfs/dbraw/zinc/61/31/28/1363613128.db2.gz ZHYZMGADFPZVAU-NCPJDUFYSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099081245 1363613211 /nfs/dbraw/zinc/61/32/11/1363613211.db2.gz ZHYZMGADFPZVAU-HOHRJFBBSA-N 2 0 349.563 3.290 20 0 EGADRP Cc1ccccc1C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099213366 1363694487 /nfs/dbraw/zinc/69/44/87/1363694487.db2.gz DGBSMOKQYPGTON-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225274 1363700727 /nfs/dbraw/zinc/70/07/27/1363700727.db2.gz QYDBWTDQHYYARH-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099276080 1363727003 /nfs/dbraw/zinc/72/70/03/1363727003.db2.gz MYSSYLFRSJGBRS-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281762 1363730153 /nfs/dbraw/zinc/73/01/53/1363730153.db2.gz XVAFJGJFSQSHAW-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C[C@@H](C)CC ZINC001099321426 1363749054 /nfs/dbraw/zinc/74/90/54/1363749054.db2.gz WNDOQACZFNKMEG-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)C[NH+]2CCCC2)[N@H+](CC2CCCCC2)C1 ZINC001099340615 1363760403 /nfs/dbraw/zinc/76/04/03/1363760403.db2.gz WLIFGIFYWVATSJ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099353971 1363768003 /nfs/dbraw/zinc/76/80/03/1363768003.db2.gz KQAKGHLYMDPQOU-LJQANCHMSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099353970 1363768545 /nfs/dbraw/zinc/76/85/45/1363768545.db2.gz KQAKGHLYMDPQOU-IBGZPJMESA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001099442826 1363799499 /nfs/dbraw/zinc/79/94/99/1363799499.db2.gz WRTXQWKKPAPOHA-LPHOPBHVSA-N 2 0 349.544 3.050 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100335076 1364082937 /nfs/dbraw/zinc/08/29/37/1364082937.db2.gz JCNBMJZGMGFHIU-SREVYHEPSA-N 2 0 349.563 3.482 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480143 1364129097 /nfs/dbraw/zinc/12/90/97/1364129097.db2.gz FKVIXZPXPHCVKW-SNAWJCMRSA-N 2 0 340.471 3.179 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535048 1364150252 /nfs/dbraw/zinc/15/02/52/1364150252.db2.gz KJXOLKOVTIUEIL-RNCWLLJBSA-N 2 0 347.547 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CC(CC)CC)C2)C1 ZINC001100599330 1364183576 /nfs/dbraw/zinc/18/35/76/1364183576.db2.gz SIANVOSATKVLKL-JLAWEPINSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C2CC(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001100621286 1364193356 /nfs/dbraw/zinc/19/33/56/1364193356.db2.gz VFWPTANCULKQHE-VIQWUECVSA-N 2 0 345.531 3.191 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)C1 ZINC001100681173 1364215924 /nfs/dbraw/zinc/21/59/24/1364215924.db2.gz ZMJPFEWQUYIQOR-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100729652 1364238271 /nfs/dbraw/zinc/23/82/71/1364238271.db2.gz HVDPJZCMEPYTRW-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729971 1364238279 /nfs/dbraw/zinc/23/82/79/1364238279.db2.gz YHGSXPWHWLWBBW-ACBHZAAOSA-N 2 0 337.552 3.170 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)CC1 ZINC001100785740 1364261589 /nfs/dbraw/zinc/26/15/89/1364261589.db2.gz ZAEIVSKXFMPTKZ-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001100855111 1364293894 /nfs/dbraw/zinc/29/38/94/1364293894.db2.gz QZUUQJDYOIYLQH-CNBHCMJISA-N 2 0 345.531 3.138 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100860034 1364296091 /nfs/dbraw/zinc/29/60/91/1364296091.db2.gz NRZACWWQWPSPNM-UUKMXZOPSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001101027595 1364380960 /nfs/dbraw/zinc/38/09/60/1364380960.db2.gz KHFLIACJDHBRQF-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101438698 1364563804 /nfs/dbraw/zinc/56/38/04/1364563804.db2.gz OTBPBERCGXSGTA-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001101547647 1364611376 /nfs/dbraw/zinc/61/13/76/1364611376.db2.gz KJBXODZFHQOJJJ-UHFFFAOYSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001101550614 1364613475 /nfs/dbraw/zinc/61/34/75/1364613475.db2.gz RAYWDIJGQYOBNI-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001101569435 1364624330 /nfs/dbraw/zinc/62/43/30/1364624330.db2.gz ALKNBQIARGNRBU-FPLPWBNLSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001101573727 1364628233 /nfs/dbraw/zinc/62/82/33/1364628233.db2.gz AHZNHCMYHKRFMN-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001101596095 1364646760 /nfs/dbraw/zinc/64/67/60/1364646760.db2.gz IUFHEPIQPIIMDQ-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963327 1364792091 /nfs/dbraw/zinc/79/20/91/1364792091.db2.gz VJWXAVSXAUPMDD-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001102101274 1364856393 /nfs/dbraw/zinc/85/63/93/1364856393.db2.gz VXOZRXTYNXBRCL-ZHALLVOQSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001102367037 1365025980 /nfs/dbraw/zinc/02/59/80/1365025980.db2.gz YZUGYGHOKRMKPF-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185444828 1387718139 /nfs/dbraw/zinc/71/81/39/1387718139.db2.gz CASOTQDNIIPYBZ-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102525213 1365098811 /nfs/dbraw/zinc/09/88/11/1365098811.db2.gz PXSHNFCTZCYWOG-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601750 1365131276 /nfs/dbraw/zinc/13/12/76/1365131276.db2.gz OPGONWGMVCGJEM-CEXWTWQISA-N 2 0 345.531 3.080 20 0 EGADRP CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001185471200 1387724121 /nfs/dbraw/zinc/72/41/21/1387724121.db2.gz MEEAPQUGFTXSES-MOPGFXCFSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781782 1365215907 /nfs/dbraw/zinc/21/59/07/1365215907.db2.gz BRBBAUQPFGRSRN-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085335 1365373166 /nfs/dbraw/zinc/37/31/66/1365373166.db2.gz QHNHBDGNZVQYGN-QWFCFKBJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090526 1365376272 /nfs/dbraw/zinc/37/62/72/1365376272.db2.gz WYILHAIQQBFXJP-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111677 1365387284 /nfs/dbraw/zinc/38/72/84/1365387284.db2.gz IIFIHJQQDRLMAZ-QRQLOZEOSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157989 1365414362 /nfs/dbraw/zinc/41/43/62/1365414362.db2.gz MTYPNYUEAPEQGB-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001185548158 1387745015 /nfs/dbraw/zinc/74/50/15/1387745015.db2.gz KJFJVBIKJLURMW-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495925 1365597219 /nfs/dbraw/zinc/59/72/19/1365597219.db2.gz ZNUXQTIVZHYRMF-CEXWTWQISA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001103662862 1365710757 /nfs/dbraw/zinc/71/07/57/1365710757.db2.gz XCRLCUMUPATTEC-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001185679237 1387775502 /nfs/dbraw/zinc/77/55/02/1387775502.db2.gz AXMYQRIPHVOKRU-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104288009 1365976663 /nfs/dbraw/zinc/97/66/63/1365976663.db2.gz PTLUUWIHZDQMQQ-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752403 1366157279 /nfs/dbraw/zinc/15/72/79/1366157279.db2.gz DEXOSJPHPBYHDQ-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753498 1366157633 /nfs/dbraw/zinc/15/76/33/1366157633.db2.gz DBOAGEYYYKYQGO-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104916706 1366222614 /nfs/dbraw/zinc/22/26/14/1366222614.db2.gz BTVXFYYFXCGWKU-IAGOWNOFSA-N 2 0 346.519 3.026 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185751036 1387789541 /nfs/dbraw/zinc/78/95/41/1387789541.db2.gz NPQCWXIDKQEILU-UYAOXDASSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C(=O)NCC1(C)CC[NH+](Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001324897428 1387809808 /nfs/dbraw/zinc/80/98/08/1387809808.db2.gz MPUAQCSPHGHYTF-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105396808 1366446019 /nfs/dbraw/zinc/44/60/19/1366446019.db2.gz WOQRNIAMSPFKFI-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105517928 1366505267 /nfs/dbraw/zinc/50/52/67/1366505267.db2.gz NATVPONFZWIPKU-MOPGFXCFSA-N 2 0 347.547 3.188 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCC1 ZINC001105541563 1366519983 /nfs/dbraw/zinc/51/99/83/1366519983.db2.gz DOSQCVRBYATINO-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105558620 1366529996 /nfs/dbraw/zinc/52/99/96/1366529996.db2.gz CHRVJBOWZOTCPL-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CCC1 ZINC001105563878 1366533327 /nfs/dbraw/zinc/53/33/27/1366533327.db2.gz SVUADADHJLVHBE-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106900239 1366827869 /nfs/dbraw/zinc/82/78/69/1366827869.db2.gz TUNBGTUTVMFVBF-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107035891 1366862238 /nfs/dbraw/zinc/86/22/38/1366862238.db2.gz DERZUOFGHUCWDB-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037405 1366862591 /nfs/dbraw/zinc/86/25/91/1366862591.db2.gz CYAFKUMQGBRIOA-AHSYYPKJSA-N 2 0 349.563 3.147 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107072054 1366870065 /nfs/dbraw/zinc/87/00/65/1366870065.db2.gz CKUGBOCTPSCDTM-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439314 1366963635 /nfs/dbraw/zinc/96/36/35/1366963635.db2.gz VMAXINVSDHXBJV-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521033 1367016203 /nfs/dbraw/zinc/01/62/03/1367016203.db2.gz IJULZMJJYZDYLZ-YHTLKTDXSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534005 1367024718 /nfs/dbraw/zinc/02/47/18/1367024718.db2.gz RQKVTZHMNYXBGG-YCIUYBBHSA-N 2 0 349.563 3.290 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](C)CC)C[C@H]21 ZINC001189454162 1367026000 /nfs/dbraw/zinc/02/60/00/1367026000.db2.gz SBJPYOLNUBTDDO-CEXWTWQISA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550548 1367038867 /nfs/dbraw/zinc/03/88/67/1367038867.db2.gz ZXYMZZIVQTWSRD-QKNQBKEWSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001107554692 1367040566 /nfs/dbraw/zinc/04/05/66/1367040566.db2.gz JPAIZTBAOXEWCY-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598747 1367065316 /nfs/dbraw/zinc/06/53/16/1367065316.db2.gz VKAOKRKNZJFBBV-KFHCLJRTSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189622181 1367071288 /nfs/dbraw/zinc/07/12/88/1367071288.db2.gz PWZWPBHZTCTLHM-VQTJNVASSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633115 1367084004 /nfs/dbraw/zinc/08/40/04/1367084004.db2.gz KOTSXYKMJTXCIE-SFHLNBCPSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001109371636 1367091483 /nfs/dbraw/zinc/09/14/83/1367091483.db2.gz NIVKROSTLJLXHK-YDZRNGNQSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399308 1367103771 /nfs/dbraw/zinc/10/37/71/1367103771.db2.gz FYNRIXNHKMQRFV-ZRNYENFQSA-N 2 0 349.563 3.407 20 0 EGADRP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672745 1367274526 /nfs/dbraw/zinc/27/45/26/1367274526.db2.gz ROURECCIBWJGPQ-NBMRYCAZSA-N 2 0 349.906 3.074 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001190653112 1367317727 /nfs/dbraw/zinc/31/77/27/1367317727.db2.gz BYWFUCGJOAKIJP-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656329 1367319860 /nfs/dbraw/zinc/31/98/60/1367319860.db2.gz RZSKKJULIYDIMI-RTBURBONSA-N 2 0 335.536 3.116 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)C(C)C ZINC001109859976 1367364456 /nfs/dbraw/zinc/36/44/56/1367364456.db2.gz CYGJLNSFPSWVCM-FYQPLNBISA-N 2 0 349.563 3.265 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190891206 1367375908 /nfs/dbraw/zinc/37/59/08/1367375908.db2.gz ZSUMJMOEJBOURU-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890570 1367376316 /nfs/dbraw/zinc/37/63/16/1367376316.db2.gz SPKRMDUUMDZKIL-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190997713 1367399874 /nfs/dbraw/zinc/39/98/74/1367399874.db2.gz YAFULUHGDKWDNT-RBUKOAKNSA-N 2 0 345.531 3.401 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162122 1367437144 /nfs/dbraw/zinc/43/71/44/1367437144.db2.gz MIBCKCJGMIWWPM-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108687892 1367532814 /nfs/dbraw/zinc/53/28/14/1367532814.db2.gz JRYOHGMKISPPSC-FHWLQOOXSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684446 1367560867 /nfs/dbraw/zinc/56/08/67/1367560867.db2.gz RUOCHNWVTODAOX-DVBCCOPCSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828161 1367623007 /nfs/dbraw/zinc/62/30/07/1367623007.db2.gz GWCHFFOGNADAEO-ZCNNSNEGSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923480 1367641233 /nfs/dbraw/zinc/64/12/33/1367641233.db2.gz WPBSCTQEIAQUEE-OYQYDDJWSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030392 1367669659 /nfs/dbraw/zinc/66/96/59/1367669659.db2.gz QIKVUJDFSKHDFS-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP C[NH+](CCCC1CCC1)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407404 1367775955 /nfs/dbraw/zinc/77/59/55/1367775955.db2.gz VSJQXLPAPWQUGW-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110550602 1367826859 /nfs/dbraw/zinc/82/68/59/1367826859.db2.gz WRUNOQRLLPJZPF-YRXWBPOGSA-N 2 0 349.563 3.407 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192655612 1367843354 /nfs/dbraw/zinc/84/33/54/1367843354.db2.gz NAQOUPPLWBXXMN-IEBWSBKVSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192654273 1367843906 /nfs/dbraw/zinc/84/39/06/1367843906.db2.gz FINFXNLJXTUDNA-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001110626448 1367875238 /nfs/dbraw/zinc/87/52/38/1367875238.db2.gz BGFZIEBSKOJVBL-GDFACCDQSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110626718 1367875568 /nfs/dbraw/zinc/87/55/68/1367875568.db2.gz NIVKROSTLJLXHK-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CC1CCC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)CC1 ZINC001110664095 1367905171 /nfs/dbraw/zinc/90/51/71/1367905171.db2.gz GPUKBOSMDKAHLQ-JIARVOFWSA-N 2 0 347.547 3.019 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1)C(C)C ZINC001192923932 1367905966 /nfs/dbraw/zinc/90/59/66/1367905966.db2.gz QKTFWVHNCNTUGT-VQTJNVASSA-N 2 0 349.563 3.386 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C[NH+](CC)CC)C2)cc1 ZINC001192968974 1367913380 /nfs/dbraw/zinc/91/33/80/1367913380.db2.gz FWJAQDDEDLFKCE-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1 ZINC001193383695 1368016772 /nfs/dbraw/zinc/01/67/72/1368016772.db2.gz WRONVQVBDSEFTE-MOPGFXCFSA-N 2 0 335.536 3.140 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001193601110 1368070364 /nfs/dbraw/zinc/07/03/64/1368070364.db2.gz SFGYLQBPFTWYIR-LJQANCHMSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001193610013 1368073700 /nfs/dbraw/zinc/07/37/00/1368073700.db2.gz LCIAZLSZPVCOPR-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(CC)cc2)C1 ZINC001193609805 1368073931 /nfs/dbraw/zinc/07/39/31/1368073931.db2.gz JIYCGELITYEVRO-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111128027 1368162507 /nfs/dbraw/zinc/16/25/07/1368162507.db2.gz RNYKREOFKAEUKS-DDBAPUKQSA-N 2 0 346.519 3.136 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246533 1368216764 /nfs/dbraw/zinc/21/67/64/1368216764.db2.gz OGLDYXDJKXYWCD-GHOSXJJBSA-N 2 0 343.515 3.251 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194247308 1368216971 /nfs/dbraw/zinc/21/69/71/1368216971.db2.gz WHJXPQQNBSOGGI-LJQANCHMSA-N 2 0 345.531 3.475 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246701 1368217360 /nfs/dbraw/zinc/21/73/60/1368217360.db2.gz QHPZCHSJDHQMQH-SFHVURJKSA-N 2 0 331.504 3.085 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273893 1368221370 /nfs/dbraw/zinc/22/13/70/1368221370.db2.gz BSLDNDQDGJWMFU-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001194274388 1368221782 /nfs/dbraw/zinc/22/17/82/1368221782.db2.gz HHPCYBIDYMAZHO-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429462 1368259671 /nfs/dbraw/zinc/25/96/71/1368259671.db2.gz JFPMSHGWOVNCBZ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001111308969 1368262661 /nfs/dbraw/zinc/26/26/61/1368262661.db2.gz GBODWLZYGOMHRB-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001111450827 1368309971 /nfs/dbraw/zinc/30/99/71/1368309971.db2.gz AYCKGDRLLUFUKX-AQNXPRMDSA-N 2 0 343.515 3.274 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454136 1368310387 /nfs/dbraw/zinc/31/03/87/1368310387.db2.gz MUSOBRRJWVDMAZ-JKKVLMFISA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821067 1368482457 /nfs/dbraw/zinc/48/24/57/1368482457.db2.gz IYEFRNXNVPCDEV-LQWHRVPQSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854546 1368507390 /nfs/dbraw/zinc/50/73/90/1368507390.db2.gz RAXPPHMPQGTCOY-LMNJBCLMSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)C)C2)[NH+](CC)CC ZINC001111869760 1368517043 /nfs/dbraw/zinc/51/70/43/1368517043.db2.gz IPJAFVIHVNHMPN-NSHGMRRFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2)[NH+](C)C ZINC001111874939 1368521429 /nfs/dbraw/zinc/52/14/29/1368521429.db2.gz HXPNMKNGNORKFR-ZWOKBUDYSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891285 1368536766 /nfs/dbraw/zinc/53/67/66/1368536766.db2.gz JQGHJEPASLGIIU-GVZHBMFQSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950883 1368571513 /nfs/dbraw/zinc/57/15/13/1368571513.db2.gz GUJLIULBNAHVMG-AHHPOWTJSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949291 1368571705 /nfs/dbraw/zinc/57/17/05/1368571705.db2.gz XGCXFKKGRVIPHJ-GXGIYUIGSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619928 1368651376 /nfs/dbraw/zinc/65/13/76/1368651376.db2.gz PMBIWYKAUHKZIL-BBIZLLLXSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001196943815 1368718189 /nfs/dbraw/zinc/71/81/89/1368718189.db2.gz SVQDQQNLUYGOLP-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285444 1368748720 /nfs/dbraw/zinc/74/87/20/1368748720.db2.gz XODXEQQZQZOMKM-XIHJCQGWSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[NH+](CC)CC ZINC001197134452 1368751941 /nfs/dbraw/zinc/75/19/41/1368751941.db2.gz RAIVWJHSTFZJNR-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001197134681 1368752212 /nfs/dbraw/zinc/75/22/12/1368752212.db2.gz VDZIHAAMBALNMA-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197141309 1368753468 /nfs/dbraw/zinc/75/34/68/1368753468.db2.gz GJIISGMZVVWQPE-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197141930 1368753599 /nfs/dbraw/zinc/75/35/99/1368753599.db2.gz PPDPDLFFMGPGGK-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](CCCC(C)C)CC1)C(C)C ZINC001197484642 1368823862 /nfs/dbraw/zinc/82/38/62/1368823862.db2.gz HMKZVKFCTAZVGL-LJQANCHMSA-N 2 0 339.568 3.323 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001112399186 1368824170 /nfs/dbraw/zinc/82/41/70/1368824170.db2.gz GMZFYBBDISCTFS-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112437107 1368852699 /nfs/dbraw/zinc/85/26/99/1368852699.db2.gz XXQSQQSGZPDBBR-QOEVCOJSSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001112519186 1368911282 /nfs/dbraw/zinc/91/12/82/1368911282.db2.gz YLPABLSFNGNSGT-FPOVZHCZSA-N 2 0 347.547 3.047 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586139 1368937844 /nfs/dbraw/zinc/93/78/44/1368937844.db2.gz JJOFDSZVCFWBRX-AHHPOWTJSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112585003 1368938279 /nfs/dbraw/zinc/93/82/79/1368938279.db2.gz UKLPSBPIKIBCJU-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112586059 1368938470 /nfs/dbraw/zinc/93/84/70/1368938470.db2.gz FRKLUBBVTFGYFB-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001198220972 1368982900 /nfs/dbraw/zinc/98/29/00/1368982900.db2.gz AWVNZESISHDYSH-PWBPZBFBSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198228961 1368984203 /nfs/dbraw/zinc/98/42/03/1368984203.db2.gz BXHBAPXNVBOAMO-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364481 1369017355 /nfs/dbraw/zinc/01/73/55/1369017355.db2.gz WZKMACZPTXXEBC-UHFFFAOYSA-N 2 0 337.552 3.367 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001113032673 1369153373 /nfs/dbraw/zinc/15/33/73/1369153373.db2.gz AQEGQWWQCAVVAV-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200578033 1369393895 /nfs/dbraw/zinc/39/38/95/1369393895.db2.gz KCSCODQETIAIJC-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001186748006 1388004027 /nfs/dbraw/zinc/00/40/27/1388004027.db2.gz PTDONVSBZHJSKD-GOSISDBHSA-N 2 0 340.471 3.257 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053060 1369472927 /nfs/dbraw/zinc/47/29/27/1369472927.db2.gz JXLOVHRFULETID-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001113567904 1369496367 /nfs/dbraw/zinc/49/63/67/1369496367.db2.gz NCQLWGITDPGCLZ-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC001113723110 1369586563 /nfs/dbraw/zinc/58/65/63/1369586563.db2.gz KTJGZPUUIWRHFE-UHFFFAOYSA-N 2 0 347.547 3.287 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3nc4ccccc4s3)cc[nH+]2)CC1 ZINC001201648052 1369596305 /nfs/dbraw/zinc/59/63/05/1369596305.db2.gz HQDLVJQQAITORM-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP CCC[C@@H](C)c1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)on1 ZINC001201649975 1369597038 /nfs/dbraw/zinc/59/70/38/1369597038.db2.gz WMPZLEJGGHCCLH-CQSZACIVSA-N 2 0 329.448 3.469 20 0 EGADRP Cc1nccn1-c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201666194 1369601385 /nfs/dbraw/zinc/60/13/85/1369601385.db2.gz MTDUNJFQMUIYHQ-UHFFFAOYSA-N 2 0 348.454 3.071 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc4cncc(F)c43)cc[nH+]2)CC1 ZINC001201668294 1369601633 /nfs/dbraw/zinc/60/16/33/1369601633.db2.gz URXZVSFZPATSIV-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP Cc1ccnc2c(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)cccc12 ZINC001201666861 1369601743 /nfs/dbraw/zinc/60/17/43/1369601743.db2.gz GWSHSFWEYYKFSN-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201839024 1369632180 /nfs/dbraw/zinc/63/21/80/1369632180.db2.gz IORHPUFPAFRBRP-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP COc1cc2c(cc1CN[C@@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)OCO2 ZINC001201947036 1369649283 /nfs/dbraw/zinc/64/92/83/1369649283.db2.gz QJAGLRWATMQSMX-GJZGRUSLSA-N 2 0 346.471 3.167 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144796 1369700335 /nfs/dbraw/zinc/70/03/35/1369700335.db2.gz JLNPFNXQQQZIEE-OOFWQKGWSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156792 1369702816 /nfs/dbraw/zinc/70/28/16/1369702816.db2.gz LFQRBFLQMWADBW-LJQANCHMSA-N 2 0 335.536 3.164 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@H]21 ZINC001202486485 1369787180 /nfs/dbraw/zinc/78/71/80/1369787180.db2.gz NSVRAEWKDWDTDP-PSBWJHGTSA-N 2 0 334.529 3.317 20 0 EGADRP c1csc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H]2CCOC2)CC3)c1 ZINC001202487865 1369787342 /nfs/dbraw/zinc/78/73/42/1369787342.db2.gz VPZLAWDOFHCHLK-QGZVFWFLSA-N 2 0 334.529 3.463 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001202526801 1369799789 /nfs/dbraw/zinc/79/97/89/1369799789.db2.gz PRWRRDHYMATNLH-HJWRWDBZSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001202539154 1369802837 /nfs/dbraw/zinc/80/28/37/1369802837.db2.gz KOZURBSWXUKMBN-QGZVFWFLSA-N 2 0 339.568 3.227 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202611014 1369823726 /nfs/dbraw/zinc/82/37/26/1369823726.db2.gz IHJFHPVRFVGOCC-NHCUHLMSSA-N 2 0 328.500 3.257 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001202764034 1369883242 /nfs/dbraw/zinc/88/32/42/1369883242.db2.gz KESNHKZAWRNHGK-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186994140 1388036448 /nfs/dbraw/zinc/03/64/48/1388036448.db2.gz BICRSOWCZPQPHP-CTNGQTDRSA-N 2 0 345.531 3.090 20 0 EGADRP CCC1(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)COC1 ZINC001202935878 1369930196 /nfs/dbraw/zinc/93/01/96/1369930196.db2.gz GXFHVGNXYPLBBG-GOSISDBHSA-N 2 0 332.488 3.383 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)C(C)C ZINC001202990781 1369947992 /nfs/dbraw/zinc/94/79/92/1369947992.db2.gz DFNJUFNXHRFFPW-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]([NH2+]CCCC3CCC3)C23CCC3)CCC1 ZINC001203027558 1369959062 /nfs/dbraw/zinc/95/90/62/1369959062.db2.gz GONZDXNJAPNIMJ-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203102228 1369983121 /nfs/dbraw/zinc/98/31/21/1369983121.db2.gz HAJLWTXWEMGGPH-MGSINWNPSA-N 2 0 335.536 3.090 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203103249 1369983849 /nfs/dbraw/zinc/98/38/49/1369983849.db2.gz KOKOAPFAIFSXLU-ROUUACIJSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)CC1 ZINC001203159692 1370005035 /nfs/dbraw/zinc/00/50/35/1370005035.db2.gz SSFIJCQYVNJVIU-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203169095 1370007757 /nfs/dbraw/zinc/00/77/57/1370007757.db2.gz PEKMQERKGMKZTA-QZTJIDSGSA-N 2 0 340.471 3.155 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230546 1370032965 /nfs/dbraw/zinc/03/29/65/1370032965.db2.gz NUEMSKAAJMBNOG-MOPGFXCFSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230062 1370033068 /nfs/dbraw/zinc/03/30/68/1370033068.db2.gz KBABCTKYNICPME-SJORKVTESA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001203330670 1370084922 /nfs/dbraw/zinc/08/49/22/1370084922.db2.gz OPRAHUJKUXERIM-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2cccc(CC)c2)CC1 ZINC001203431391 1370123611 /nfs/dbraw/zinc/12/36/11/1370123611.db2.gz FQGZAIPSEGSKBL-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461773 1370135031 /nfs/dbraw/zinc/13/50/31/1370135031.db2.gz ILCIWDVCUDOJAY-OALUTQOASA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461772 1370135082 /nfs/dbraw/zinc/13/50/82/1370135082.db2.gz ILCIWDVCUDOJAY-MOPGFXCFSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203507015 1370148121 /nfs/dbraw/zinc/14/81/21/1370148121.db2.gz MUOIOBCLKZOIJX-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203523249 1370154121 /nfs/dbraw/zinc/15/41/21/1370154121.db2.gz POUCMGMPMINGGB-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203772204 1370259012 /nfs/dbraw/zinc/25/90/12/1370259012.db2.gz QKVVDWVJPWVORT-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203791330 1370266250 /nfs/dbraw/zinc/26/62/50/1370266250.db2.gz HGZODZGGKOHNFH-RTBURBONSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001203869933 1370294022 /nfs/dbraw/zinc/29/40/22/1370294022.db2.gz RZNNMBLDZBAWRR-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1)C2 ZINC001203890334 1370300974 /nfs/dbraw/zinc/30/09/74/1370300974.db2.gz DVSIWYVBHASLBG-RTWAWAEBSA-N 2 0 328.500 3.175 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001203904336 1370309011 /nfs/dbraw/zinc/30/90/11/1370309011.db2.gz SITLKHLRPUBXBX-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP CC(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001203927130 1370316799 /nfs/dbraw/zinc/31/67/99/1370316799.db2.gz HZAWIGORNCNVFD-PMACEKPBSA-N 2 0 329.488 3.484 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001204069394 1370366745 /nfs/dbraw/zinc/36/67/45/1370366745.db2.gz OAVJEXYEJXAVCB-PLNGDYQASA-N 2 0 343.515 3.055 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC001204269242 1370427823 /nfs/dbraw/zinc/42/78/23/1370427823.db2.gz YAKQBUIMUKVBLR-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2c(C)[nH]c3ccccc32)CC1 ZINC001204293831 1370433592 /nfs/dbraw/zinc/43/35/92/1370433592.db2.gz JAXCJMDJEZFCDG-UHFFFAOYSA-N 2 0 342.531 3.326 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001115450669 1370459191 /nfs/dbraw/zinc/45/91/91/1370459191.db2.gz JEEGUQUWOOXFSS-SFHVURJKSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115534887 1370531958 /nfs/dbraw/zinc/53/19/58/1370531958.db2.gz AAFMGNJBDQNLDO-GOSISDBHSA-N 2 0 335.536 3.234 20 0 EGADRP Cc1ccc(C)c(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC001204621825 1370532054 /nfs/dbraw/zinc/53/20/54/1370532054.db2.gz NPDKCQXTQYJUFE-UHFFFAOYSA-N 2 0 335.495 3.271 20 0 EGADRP Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735186 1370559126 /nfs/dbraw/zinc/55/91/26/1370559126.db2.gz NHJNENJZEWNOSV-UHFFFAOYSA-N 2 0 343.393 3.133 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115560020 1370560053 /nfs/dbraw/zinc/56/00/53/1370560053.db2.gz RFLOJDGTLHOBLP-KRWDZBQOSA-N 2 0 343.531 3.121 20 0 EGADRP COc1ncc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c2ccccc21 ZINC001204742729 1370562177 /nfs/dbraw/zinc/56/21/77/1370562177.db2.gz RQLWJCJBVCFRJB-UHFFFAOYSA-N 2 0 325.456 3.209 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC)CCCCC1 ZINC001115563128 1370563142 /nfs/dbraw/zinc/56/31/42/1370563142.db2.gz QULBIMDRZAGVID-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115571892 1370574470 /nfs/dbraw/zinc/57/44/70/1370574470.db2.gz TUYLEALCAOPMPU-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115572994 1370575010 /nfs/dbraw/zinc/57/50/10/1370575010.db2.gz CMSKWKWHCPRFCX-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1)C1CC1 ZINC001115573420 1370575942 /nfs/dbraw/zinc/57/59/42/1370575942.db2.gz RCSSQHGTMXHTOB-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1nc2ccccc2[nH]1 ZINC001204793277 1370577707 /nfs/dbraw/zinc/57/77/07/1370577707.db2.gz GJAFWLFUIWNWME-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CCCC(C)C)CCCCC1)[NH+](C)C ZINC001115591802 1370592338 /nfs/dbraw/zinc/59/23/38/1370592338.db2.gz FUFCAICJTPTTID-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115591993 1370592922 /nfs/dbraw/zinc/59/29/22/1370592922.db2.gz OCAMIOYTXMJNBO-GFOMBABLSA-N 2 0 337.552 3.482 20 0 EGADRP CN(Cc1cc2c(s1)C[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204869588 1370594017 /nfs/dbraw/zinc/59/40/17/1370594017.db2.gz FFCMVZAGWPSXDC-GOSISDBHSA-N 2 0 341.524 3.100 20 0 EGADRP CC[N@H+](C[C@@H]1[C@H](C)CNCC1(F)F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870664 1370594077 /nfs/dbraw/zinc/59/40/77/1370594077.db2.gz ZGEKHLPDGXSMFD-RVKKMQEKSA-N 2 0 340.458 3.439 20 0 EGADRP C[C@@H]1CN(C[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001204897272 1370599851 /nfs/dbraw/zinc/59/98/51/1370599851.db2.gz VLUUXJJGWFHJOA-XQBPLPMBSA-N 2 0 337.511 3.151 20 0 EGADRP CCC[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCCCC1 ZINC001115648513 1370636906 /nfs/dbraw/zinc/63/69/06/1370636906.db2.gz UKQHLCLGESFRES-UHFFFAOYSA-N 2 0 345.531 3.223 20 0 EGADRP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])CC3)cc2)cc1 ZINC001205124100 1370657522 /nfs/dbraw/zinc/65/75/22/1370657522.db2.gz KFFRKTJTPZXIHR-FQEVSTJZSA-N 2 0 338.451 3.453 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001115688045 1370670771 /nfs/dbraw/zinc/67/07/71/1370670771.db2.gz IOMDEDHMYNAOTQ-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)CC1 ZINC001115696094 1370677324 /nfs/dbraw/zinc/67/73/24/1370677324.db2.gz FVRQBGGEOYCHTA-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCCC2)cc1C ZINC001115707934 1370687414 /nfs/dbraw/zinc/68/74/14/1370687414.db2.gz FJWBUUCFZQAIKY-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc([C@@H]3CC[NH2+]C3)cc2)cn1 ZINC001205248058 1370694595 /nfs/dbraw/zinc/69/45/95/1370694595.db2.gz IQXQRQLDPOLIJZ-LJQANCHMSA-N 2 0 325.456 3.156 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205271943 1370702213 /nfs/dbraw/zinc/70/22/13/1370702213.db2.gz RNOCYOLIBYLBQC-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205296315 1370711445 /nfs/dbraw/zinc/71/14/45/1370711445.db2.gz LVDMAWDEBBPUEF-HXUWFJFHSA-N 2 0 325.456 3.461 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)C1 ZINC001115729523 1370711477 /nfs/dbraw/zinc/71/14/77/1370711477.db2.gz JFWYWHQHFIDRTL-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115729991 1370712416 /nfs/dbraw/zinc/71/24/16/1370712416.db2.gz AMPCUTKUEHRSCQ-INIZCTEOSA-N 2 0 343.531 3.121 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730243 1370713168 /nfs/dbraw/zinc/71/31/68/1370713168.db2.gz GUWVEULWKRFWOH-LXORQPIJSA-N 2 0 349.563 3.339 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)CC[N@@H+]1C ZINC001205334264 1370724260 /nfs/dbraw/zinc/72/42/60/1370724260.db2.gz IXZGMLKLOSNLML-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CC2CCC2)CCCCC1)[NH+]1CCCCCC1 ZINC001115760355 1370744399 /nfs/dbraw/zinc/74/43/99/1370744399.db2.gz MZOPQDMXMVVVBP-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001205410606 1370747589 /nfs/dbraw/zinc/74/75/89/1370747589.db2.gz VJFYQJHKWHTRRP-UHFFFAOYSA-N 2 0 337.533 3.052 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483830 1370769417 /nfs/dbraw/zinc/76/94/17/1370769417.db2.gz TUUYQUDCDGCJAB-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC001205517356 1370778669 /nfs/dbraw/zinc/77/86/69/1370778669.db2.gz NUOJLGAPIWQNEH-GOSISDBHSA-N 2 0 343.559 3.112 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205545489 1370786487 /nfs/dbraw/zinc/78/64/87/1370786487.db2.gz IAEQDVOBKBIDBL-VQTJNVASSA-N 2 0 333.495 3.194 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205559581 1370790928 /nfs/dbraw/zinc/79/09/28/1370790928.db2.gz SEZMEUZXMDGNPW-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001205558141 1370790921 /nfs/dbraw/zinc/79/09/21/1370790921.db2.gz CCBTVSMGYCFRCA-OAHLLOKOSA-N 2 0 344.356 3.235 20 0 EGADRP CC(C)Oc1c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)ccc(F)c1F ZINC001205591141 1370802734 /nfs/dbraw/zinc/80/27/34/1370802734.db2.gz FIFKADXTURPCPU-QGZVFWFLSA-N 2 0 330.394 3.405 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205593882 1370803998 /nfs/dbraw/zinc/80/39/98/1370803998.db2.gz HECILECJQIUFPZ-PRPIBZDOSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001205602632 1370807907 /nfs/dbraw/zinc/80/79/07/1370807907.db2.gz KSQSMCUKLNXVBE-GHTZIAJQSA-N 3 0 329.532 3.205 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2Br)CC[C@H]1C[NH3+] ZINC001205618294 1370812759 /nfs/dbraw/zinc/81/27/59/1370812759.db2.gz UGSPGSUHQUNPCW-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1OC ZINC001205618613 1370813256 /nfs/dbraw/zinc/81/32/56/1370813256.db2.gz XQROGNJFRAYPAT-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625043 1370815931 /nfs/dbraw/zinc/81/59/31/1370815931.db2.gz NOMJDEOYYGLFNB-UHFFFAOYSA-N 2 0 342.487 3.356 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OC3CCOCC3)cc2)CC[C@H]1C[NH3+] ZINC001205626347 1370816404 /nfs/dbraw/zinc/81/64/04/1370816404.db2.gz GCHFYGQFROKOPK-WMZOPIPTSA-N 2 0 332.488 3.051 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CC[C@@H]1C[NH3+] ZINC001205625211 1370816746 /nfs/dbraw/zinc/81/67/46/1370816746.db2.gz ACCYLEQZFQFSTP-GHMZBOCLSA-N 2 0 346.422 3.221 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC)c1 ZINC001205639473 1370822618 /nfs/dbraw/zinc/82/26/18/1370822618.db2.gz ZGQHMVBNGQXOQE-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2Oc2cnccn2)CC[C@H]1C[NH3+] ZINC001205651109 1370827741 /nfs/dbraw/zinc/82/77/41/1370827741.db2.gz AFUKQMZFZGHXOW-CVEARBPZSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccnc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC001205665659 1370835094 /nfs/dbraw/zinc/83/50/94/1370835094.db2.gz SZFIHANXMZRZCC-XLIONFOSSA-N 2 0 339.483 3.467 20 0 EGADRP C[N@H+](CCC(=O)N1CCC(C[NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001205761161 1370862739 /nfs/dbraw/zinc/86/27/39/1370862739.db2.gz BOQFDHAHLGSNNM-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC001116289414 1370879691 /nfs/dbraw/zinc/87/96/91/1370879691.db2.gz VQXKOFKHIBCXAZ-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001205901784 1370905424 /nfs/dbraw/zinc/90/54/24/1370905424.db2.gz GGXQUMHPMGPKQY-NEPJUHHUSA-N 2 0 336.277 3.490 20 0 EGADRP c1cc(-c2cnccc2C[NH+]2CCCCC2)cc(N2CC[NH2+]CC2)c1 ZINC001205936661 1370916694 /nfs/dbraw/zinc/91/66/94/1370916694.db2.gz PXGDZOQWZJAOLF-UHFFFAOYSA-N 2 0 336.483 3.144 20 0 EGADRP C[C@H]1C[N@H+](Cc2sc(N3CCCC3)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003095 1370934481 /nfs/dbraw/zinc/93/44/81/1370934481.db2.gz DQADOGAACWYNFB-QWHCGFSZSA-N 2 0 342.940 3.204 20 0 EGADRP C[C@@H]1C[N@H+](Cc2sc(N3CCCC3)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206003094 1370934584 /nfs/dbraw/zinc/93/45/84/1370934584.db2.gz DQADOGAACWYNFB-OLZOCXBDSA-N 2 0 342.940 3.204 20 0 EGADRP C[C@H]1C[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CCC[C@@H]1C[NH3+] ZINC001206003907 1370935261 /nfs/dbraw/zinc/93/52/61/1370935261.db2.gz NKHQIKFQIDSDCG-NWDGAFQWSA-N 2 0 340.393 3.389 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206005226 1370935549 /nfs/dbraw/zinc/93/55/49/1370935549.db2.gz XDPOBRAQYMITPB-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CCC[C@H]1C[NH3+] ZINC001206003681 1370935734 /nfs/dbraw/zinc/93/57/34/1370935734.db2.gz LATWMKIVZXSGFH-YPMHNXCESA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206013253 1370938074 /nfs/dbraw/zinc/93/80/74/1370938074.db2.gz QVLGNWCPZXWELP-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1C[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC[C@H]1C[NH3+] ZINC001206022179 1370941299 /nfs/dbraw/zinc/94/12/99/1370941299.db2.gz BLMFSDBKUZDVEL-STQMWFEESA-N 2 0 333.863 3.401 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)cc21 ZINC001206027944 1370942019 /nfs/dbraw/zinc/94/20/19/1370942019.db2.gz XJWFAFLYYVUJHY-LPHOPBHVSA-N 3 0 327.516 3.495 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001206297637 1371015329 /nfs/dbraw/zinc/01/53/29/1371015329.db2.gz ZBNCWKZFBNOAAZ-LEWJYISDSA-N 2 0 329.532 3.492 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001206304553 1371015634 /nfs/dbraw/zinc/01/56/34/1371015634.db2.gz MLZCYAJKQCIIDF-IBGZPJMESA-N 2 0 326.444 3.220 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1OC ZINC001206305427 1371016694 /nfs/dbraw/zinc/01/66/94/1371016694.db2.gz ZETNLXFTJNHVMQ-KRWDZBQOSA-N 2 0 326.868 3.308 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1Br ZINC001206319148 1371019848 /nfs/dbraw/zinc/01/98/48/1371019848.db2.gz YINCFEROODFTSA-INIZCTEOSA-N 2 0 341.293 3.409 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CCC[C@](C)(C[NH3+])CC3)n21 ZINC001206336731 1371026733 /nfs/dbraw/zinc/02/67/33/1371026733.db2.gz OCIGUOSXKAZDLI-SFHVURJKSA-N 2 0 332.517 3.397 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547543 1371090201 /nfs/dbraw/zinc/09/02/01/1371090201.db2.gz HVTQNJOMSVNVPS-LOKQZNEXSA-N 2 0 347.547 3.188 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)C1 ZINC001206624604 1371111690 /nfs/dbraw/zinc/11/16/90/1371111690.db2.gz XBVMJBSBSCIBGX-GFCCVEGCSA-N 2 0 336.277 3.491 20 0 EGADRP COc1cccnc1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001206650313 1371119910 /nfs/dbraw/zinc/11/99/10/1371119910.db2.gz FZLBXLNXPATBIE-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC001118122124 1371133053 /nfs/dbraw/zinc/13/30/53/1371133053.db2.gz PMTSVMWLDKRCFQ-VYDXJSESSA-N 2 0 338.467 3.422 20 0 EGADRP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001206721426 1371144152 /nfs/dbraw/zinc/14/41/52/1371144152.db2.gz AXHQMQAVISSYFS-SFHVURJKSA-N 2 0 336.479 3.466 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](OCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC001206718062 1371144641 /nfs/dbraw/zinc/14/46/41/1371144641.db2.gz MXTROEQEBNGYPV-PCCBWWKXSA-N 2 0 328.500 3.400 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCc2cc(F)cc(F)c2)CC1 ZINC001206749323 1371153352 /nfs/dbraw/zinc/15/33/52/1371153352.db2.gz FJHKOKFQGALBLK-UHFFFAOYSA-N 2 0 330.422 3.500 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263514 1371153780 /nfs/dbraw/zinc/15/37/80/1371153780.db2.gz IEOJGYGNPHLOFR-UHFFFAOYSA-N 2 0 329.488 3.214 20 0 EGADRP Clc1ccc(-n2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001118263671 1371154622 /nfs/dbraw/zinc/15/46/22/1371154622.db2.gz JPKSGGXWCLNYSX-UHFFFAOYSA-N 2 0 344.890 3.491 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC001206868978 1371197924 /nfs/dbraw/zinc/19/79/24/1371197924.db2.gz MLJSQWLWMKQUGN-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557061 1371198505 /nfs/dbraw/zinc/19/85/05/1371198505.db2.gz NADLVGLXHHSWJN-QGZVFWFLSA-N 2 0 345.462 3.097 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947755 1371240140 /nfs/dbraw/zinc/24/01/40/1371240140.db2.gz INLMHTAEFAEGBL-FBLDJFESSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951370 1371242208 /nfs/dbraw/zinc/24/22/08/1371242208.db2.gz NPVSENFLIDQJMH-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952214 1371242541 /nfs/dbraw/zinc/24/25/41/1371242541.db2.gz DJPFOBOHZWZGAR-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206953650 1371243344 /nfs/dbraw/zinc/24/33/44/1371243344.db2.gz XQQXHVRYAINBPM-SFHVURJKSA-N 2 0 345.531 3.224 20 0 EGADRP Fc1cncc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001207023915 1371269757 /nfs/dbraw/zinc/26/97/57/1371269757.db2.gz QWJNWDXSCAXFJX-UHFFFAOYSA-N 2 0 325.431 3.319 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207189417 1371323824 /nfs/dbraw/zinc/32/38/24/1371323824.db2.gz BNOGYWCQTVNGSW-IEBWSBKVSA-N 2 0 335.923 3.013 20 0 EGADRP CC(C)[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207285179 1371349894 /nfs/dbraw/zinc/34/98/94/1371349894.db2.gz ZZCQCLBNOYKDOF-MRXNPFEDSA-N 2 0 341.540 3.294 20 0 EGADRP CCOC(=O)[C@@H]1CCCC[N@@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292143 1371352344 /nfs/dbraw/zinc/35/23/44/1371352344.db2.gz LCMDWUYALDEGSW-FQEVSTJZSA-N 2 0 344.499 3.316 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001207392193 1371382877 /nfs/dbraw/zinc/38/28/77/1371382877.db2.gz WARIXFLYXWHLME-UHFFFAOYSA-N 2 0 341.421 3.169 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(F)c(Cl)c3F)CC2)CC1 ZINC001207391314 1371383158 /nfs/dbraw/zinc/38/31/58/1371383158.db2.gz DGOQTVQCOZSMMG-UHFFFAOYSA-N 2 0 343.849 3.082 20 0 EGADRP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)CC1CC[NH+](C)CC1 ZINC001207399856 1371385425 /nfs/dbraw/zinc/38/54/25/1371385425.db2.gz WWRQDLJWRPJAKG-RXVVDRJESA-N 2 0 329.532 3.171 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cncc(C(=O)OC)c2)CC1 ZINC001119805749 1371405226 /nfs/dbraw/zinc/40/52/26/1371405226.db2.gz JKZLIFIPQGNWMD-UHFFFAOYSA-N 2 0 347.503 3.202 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207486053 1371410365 /nfs/dbraw/zinc/41/03/65/1371410365.db2.gz CNAARHISWPVGLR-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)c1 ZINC001207488880 1371412118 /nfs/dbraw/zinc/41/21/18/1371412118.db2.gz RJUWZYSMUOGQJK-IBGZPJMESA-N 2 0 330.472 3.342 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(CCCc3ccc(Cl)cc3)CC2)CC1 ZINC001207597851 1371447689 /nfs/dbraw/zinc/44/76/89/1371447689.db2.gz SSAQHHIXXMPUAM-UHFFFAOYSA-N 2 0 349.950 3.232 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)C1 ZINC001120010096 1371453306 /nfs/dbraw/zinc/45/33/06/1371453306.db2.gz LXRNUGQGVMLHPR-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041451 1371466420 /nfs/dbraw/zinc/46/64/20/1371466420.db2.gz QBIZICPKEGYUMB-SREVYHEPSA-N 2 0 337.552 3.483 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3conc3Cc3ccccc3)C[C@@H]2C1 ZINC001120072286 1371478548 /nfs/dbraw/zinc/47/85/48/1371478548.db2.gz SOJLICJXMPDEBI-WSTZPKSXSA-N 2 0 339.483 3.428 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCCCC1 ZINC001120159328 1371496659 /nfs/dbraw/zinc/49/66/59/1371496659.db2.gz RXINIRKQYLUAFB-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001120207783 1371504595 /nfs/dbraw/zinc/50/45/95/1371504595.db2.gz FUPXEYOXRZWQQY-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207790057 1371505546 /nfs/dbraw/zinc/50/55/46/1371505546.db2.gz KNDIEKUTETYLFW-VQIMIIECSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC(C)C)C1 ZINC001120401496 1371561945 /nfs/dbraw/zinc/56/19/45/1371561945.db2.gz KEFMUECEGVJNOY-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120403202 1371563092 /nfs/dbraw/zinc/56/30/92/1371563092.db2.gz WISDPPQDFGZIIX-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC001120495507 1371592481 /nfs/dbraw/zinc/59/24/81/1371592481.db2.gz PMCJCOQKXWRSSM-FQEVSTJZSA-N 2 0 326.484 3.065 20 0 EGADRP CC/C=C\CCC[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001208133751 1371605629 /nfs/dbraw/zinc/60/56/29/1371605629.db2.gz UDRWEPHJQBVXEI-JLZAYFGNSA-N 2 0 343.515 3.351 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3CC2(C[NH+](C)C)CCCC2)o1 ZINC001208184909 1371624668 /nfs/dbraw/zinc/62/46/68/1371624668.db2.gz IAJPRLTUKWEFTM-VQTJNVASSA-N 2 0 345.531 3.359 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411524 1371758775 /nfs/dbraw/zinc/75/87/75/1371758775.db2.gz WAESWBFXHVWSKO-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001208447073 1371769026 /nfs/dbraw/zinc/76/90/26/1371769026.db2.gz HCQCPHWXACLTBH-QAPCUYQASA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208492062 1371786918 /nfs/dbraw/zinc/78/69/18/1371786918.db2.gz RMGHXYQVRINUSI-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C)[NH+](CC)CC ZINC001208575799 1371824403 /nfs/dbraw/zinc/82/44/03/1371824403.db2.gz VMCWZNFUKIRAKC-RLLQIKCJSA-N 2 0 345.531 3.052 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CC([NH+]3CCCCC3)C2)cc1 ZINC001208591373 1371831246 /nfs/dbraw/zinc/83/12/46/1371831246.db2.gz JNZNMAUBOLQCQA-FQEVSTJZSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001208598743 1371834446 /nfs/dbraw/zinc/83/44/46/1371834446.db2.gz WZGKPGVKOCQJDK-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001208596527 1371834532 /nfs/dbraw/zinc/83/45/32/1371834532.db2.gz ROYDMTHOQGSANP-CTNGQTDRSA-N 2 0 343.515 3.294 20 0 EGADRP CC[NH+]1CCC(C[N@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)CC1 ZINC001208602299 1371835651 /nfs/dbraw/zinc/83/56/51/1371835651.db2.gz AHKCFLVIFKZNOQ-UHFFFAOYSA-N 2 0 347.522 3.454 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001208602739 1371836342 /nfs/dbraw/zinc/83/63/42/1371836342.db2.gz MCKTVGJKODHEJO-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838093 /nfs/dbraw/zinc/83/80/93/1371838093.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 2 0 347.572 3.378 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208611732 1371840457 /nfs/dbraw/zinc/84/04/57/1371840457.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 2 0 345.531 3.298 20 0 EGADRP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208638748 1371849570 /nfs/dbraw/zinc/84/95/70/1371849570.db2.gz HEALQLLUCLISTC-OALUTQOASA-N 2 0 336.520 3.403 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103097 1371855130 /nfs/dbraw/zinc/85/51/30/1371855130.db2.gz RPBZMMCZHNRGRI-QKESWPNNSA-N 2 0 347.547 3.233 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208748757 1371883357 /nfs/dbraw/zinc/88/33/57/1371883357.db2.gz LIQKNPQPZBLEBV-SFFCAUCYSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121194209 1371885482 /nfs/dbraw/zinc/88/54/82/1371885482.db2.gz OSIACALRUQZOQH-QKESWPNNSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@H]([NH2+]CC3=CCCCC3)C2)CCCC1 ZINC001208770159 1371890570 /nfs/dbraw/zinc/89/05/70/1371890570.db2.gz POBHRWLWCCJNNQ-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208769882 1371890714 /nfs/dbraw/zinc/89/07/14/1371890714.db2.gz MQNHOXKFJQNCRS-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001121233634 1371902768 /nfs/dbraw/zinc/90/27/68/1371902768.db2.gz PTTBTJGEAMRZLG-JDKNDNFBSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121245002 1371906403 /nfs/dbraw/zinc/90/64/03/1371906403.db2.gz BAPFJLPHXBRPCX-QWFIYREASA-N 2 0 349.563 3.026 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121260864 1371912671 /nfs/dbraw/zinc/91/26/71/1371912671.db2.gz KNHHRXQQUYTAMD-QMUDSGFASA-N 2 0 347.547 3.234 20 0 EGADRP CCOC(=O)c1ccc(CCC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC001208871338 1371927591 /nfs/dbraw/zinc/92/75/91/1371927591.db2.gz QNYARHXOSHRPST-UHFFFAOYSA-N 2 0 332.488 3.070 20 0 EGADRP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCC=CO2)CC3)c1 ZINC001208883116 1371931134 /nfs/dbraw/zinc/93/11/34/1371931134.db2.gz DXIBKVYPIGRDNT-IBGZPJMESA-N 2 0 327.472 3.062 20 0 EGADRP OC[C@]1(F)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208931518 1371950907 /nfs/dbraw/zinc/95/09/07/1371950907.db2.gz KYYDFEKLRCKZDM-PMACEKPBSA-N 2 0 334.479 3.085 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001208946770 1371958450 /nfs/dbraw/zinc/95/84/50/1371958450.db2.gz ILSJSXHXHUQPBW-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H](COCC4CC4)C3)C2)cc1 ZINC001208951296 1371959916 /nfs/dbraw/zinc/95/99/16/1371959916.db2.gz BKYPOFAZJGACNS-SFTDATJTSA-N 2 0 328.500 3.257 20 0 EGADRP C[N@@H+](C[C@H]1Cc2ccccc2O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961565 1371962876 /nfs/dbraw/zinc/96/28/76/1371962876.db2.gz GPDVPNWELFKIGZ-PZJWPPBQSA-N 2 0 336.479 3.444 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCC4(CCCOC4)CC3)C2)cc1 ZINC001208959572 1371963014 /nfs/dbraw/zinc/96/30/14/1371963014.db2.gz SNFZIESAOTWKRE-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](C[C@@H]3CCCN(C(C)=O)C3)CC2)CC1 ZINC001208977869 1371966901 /nfs/dbraw/zinc/96/69/01/1371966901.db2.gz WOCNPROWAINCSV-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP COCCC[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001209052873 1371984424 /nfs/dbraw/zinc/98/44/24/1371984424.db2.gz ZCDPQKWAMGJUBE-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC(C)C)C2)C1 ZINC001209204756 1372037898 /nfs/dbraw/zinc/03/78/98/1372037898.db2.gz LISRHEZJWFQVJS-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CCCCCCNC(=O)OC(C)(C)C)CCC[NH+]1CCCC1 ZINC001209356411 1372076868 /nfs/dbraw/zinc/07/68/68/1372076868.db2.gz DQENJABWGHYVES-UHFFFAOYSA-N 2 0 341.540 3.489 20 0 EGADRP CC1CC(C[NH2+]C2CC3(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C3)C2)C1 ZINC001121791178 1372082485 /nfs/dbraw/zinc/08/24/85/1372082485.db2.gz JRYVMJQRUNXVMG-UHFFFAOYSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCCCN(CCC[NH+]2CCCCC2)C1 ZINC001209448434 1372108022 /nfs/dbraw/zinc/10/80/22/1372108022.db2.gz RTWOIOLRGCLXDN-KRWDZBQOSA-N 2 0 339.524 3.242 20 0 EGADRP Cc1n[nH]cc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001209553721 1372135810 /nfs/dbraw/zinc/13/58/10/1372135810.db2.gz MBOBZDFYZFNRQK-UHFFFAOYSA-N 2 0 330.501 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1)[NH+](CC)CC ZINC001209614137 1372151783 /nfs/dbraw/zinc/15/17/83/1372151783.db2.gz NLCRPGDHQUNKML-MOPGFXCFSA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642736 1372159954 /nfs/dbraw/zinc/15/99/54/1372159954.db2.gz OZNVPYXDBZLVNT-LZQZEXGQSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001209688530 1372170780 /nfs/dbraw/zinc/17/07/80/1372170780.db2.gz CYBSGKBUGBJULD-MJGOQNOKSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122094132 1372173525 /nfs/dbraw/zinc/17/35/25/1372173525.db2.gz OMGJAHJKBPIFGQ-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122237741 1372208741 /nfs/dbraw/zinc/20/87/41/1372208741.db2.gz MMDCQMCVJHAVBP-ONEGZZNKSA-N 2 0 347.547 3.236 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242950 1372210431 /nfs/dbraw/zinc/21/04/31/1372210431.db2.gz RLQGDZFVXDGZEN-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133934 1372278159 /nfs/dbraw/zinc/27/81/59/1372278159.db2.gz UONXLEQNYNRKMW-XJDXJNMNSA-N 2 0 343.515 3.299 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190989 1372292156 /nfs/dbraw/zinc/29/21/56/1372292156.db2.gz ZAPWMEFZSNRGDD-ZWKOTPCHSA-N 2 0 325.541 3.124 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c2cccc(F)c2n1 ZINC001210262688 1372308953 /nfs/dbraw/zinc/30/89/53/1372308953.db2.gz NGVGJHRVTCCMRG-UHFFFAOYSA-N 2 0 337.402 3.231 20 0 EGADRP Clc1ccc2c(cccc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)n1 ZINC001210271287 1372311706 /nfs/dbraw/zinc/31/17/06/1372311706.db2.gz LLYOZTMGNMVRRD-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001210486286 1372364547 /nfs/dbraw/zinc/36/45/47/1372364547.db2.gz SVAZAYJWQHATFS-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001210494815 1372365784 /nfs/dbraw/zinc/36/57/84/1372365784.db2.gz XRBLCMMCOVKFLF-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210635046 1372397038 /nfs/dbraw/zinc/39/70/38/1372397038.db2.gz WMBWICYDBMWPAE-SFHVURJKSA-N 2 0 325.541 3.269 20 0 EGADRP C[NH+]1CCN(c2cccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)c2)CC1 ZINC001210713830 1372412448 /nfs/dbraw/zinc/41/24/48/1372412448.db2.gz HBFNHRVQJPMBHL-HXUWFJFHSA-N 2 0 340.515 3.383 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210744032 1372417691 /nfs/dbraw/zinc/41/76/91/1372417691.db2.gz NJMRDCNCTIWHGE-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001210772893 1372424349 /nfs/dbraw/zinc/42/43/49/1372424349.db2.gz DGUULDUDLLBWIL-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001210811134 1372430384 /nfs/dbraw/zinc/43/03/84/1372430384.db2.gz JRNSBOXBGGWQBV-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210810596 1372430594 /nfs/dbraw/zinc/43/05/94/1372430594.db2.gz AIPHXQJIZONQJQ-SUJSUNJESA-N 2 0 343.515 3.012 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326466879 1388201547 /nfs/dbraw/zinc/20/15/47/1388201547.db2.gz DREUBHLESDLKHF-OXJNMPFZSA-N 2 0 345.531 3.484 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001211262312 1372515118 /nfs/dbraw/zinc/51/51/18/1372515118.db2.gz NYWJRBUNRIGMMM-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)ccc1C[NH+](C)C ZINC001123807343 1372594847 /nfs/dbraw/zinc/59/48/47/1372594847.db2.gz WXJTUFNYIUCGGD-BJZITVGISA-N 2 0 329.488 3.116 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(OCC(F)F)cc2)CC1 ZINC001213305330 1372879748 /nfs/dbraw/zinc/87/97/48/1372879748.db2.gz XHBSAHXKJQSSOX-UHFFFAOYSA-N 2 0 348.397 3.221 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC001127344134 1373117677 /nfs/dbraw/zinc/11/76/77/1373117677.db2.gz GKRCCOBUDGDRET-HKUYNNGSSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001214855490 1373130378 /nfs/dbraw/zinc/13/03/78/1373130378.db2.gz DDFDCORNRLYQJL-KZNAEPCWSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001215224026 1373188990 /nfs/dbraw/zinc/18/89/90/1373188990.db2.gz FAKUCIZRYVNAFP-QRQLOZEOSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001188139546 1388247813 /nfs/dbraw/zinc/24/78/13/1388247813.db2.gz OWMTVRABTHYCJY-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188139898 1388248383 /nfs/dbraw/zinc/24/83/83/1388248383.db2.gz UTZWLPWRRLMOJR-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773912 1373236179 /nfs/dbraw/zinc/23/61/79/1373236179.db2.gz CWTGZPIVJJMSIA-CEXWTWQISA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC001128543765 1373287181 /nfs/dbraw/zinc/28/71/81/1373287181.db2.gz FSACHOLLGXSPEC-QGZVFWFLSA-N 2 0 345.512 3.280 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3cc[nH+]c(NC)c3)cc2F)CC1 ZINC001216334845 1373301584 /nfs/dbraw/zinc/30/15/84/1373301584.db2.gz AFNIXJROEISSLF-UHFFFAOYSA-N 2 0 329.423 3.148 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001216348516 1373304481 /nfs/dbraw/zinc/30/44/81/1373304481.db2.gz MNXLYNKCXYBEFY-KZNAEPCWSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001128779734 1373310818 /nfs/dbraw/zinc/31/08/18/1373310818.db2.gz XAJSIDWKNGBREM-YLJYHZDGSA-N 2 0 345.531 3.451 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001216980374 1373374891 /nfs/dbraw/zinc/37/48/91/1373374891.db2.gz ICAXCKKSGMRPEK-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980422 1373374923 /nfs/dbraw/zinc/37/49/23/1373374923.db2.gz JYDRAPUOCHXALZ-SBUVDCAVSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001129839487 1373427699 /nfs/dbraw/zinc/42/76/99/1373427699.db2.gz ALNBLAGQPFNEOG-YLJYHZDGSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001129950448 1373439629 /nfs/dbraw/zinc/43/96/29/1373439629.db2.gz URJUWYNCXOXSOY-LPHOPBHVSA-N 2 0 347.547 3.337 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@H]1OC[C@@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217789600 1373500391 /nfs/dbraw/zinc/50/03/91/1373500391.db2.gz PWVHSGAMGDHDTF-YFVAEKQCSA-N 2 0 346.515 3.071 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3OC[C@H]2CCC[NH2+]C2)cc1 ZINC001217808199 1373503091 /nfs/dbraw/zinc/50/30/91/1373503091.db2.gz BEWJFXWHVCCJLH-CBQMWWCCSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217916537 1373512368 /nfs/dbraw/zinc/51/23/68/1373512368.db2.gz IDZMNCDMURFENO-WIYYLYMNSA-N 2 0 346.515 3.456 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC001130615974 1373571106 /nfs/dbraw/zinc/57/11/06/1373571106.db2.gz WVYGYICFWNWYNM-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP c1cnc2c(O[C@H]3CCC[NH2+]C3)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218284886 1373588700 /nfs/dbraw/zinc/58/87/00/1373588700.db2.gz XZTFEMWVJNKBFV-KRWDZBQOSA-N 2 0 325.456 3.352 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)[C@@H]([NH3+])CC3CCCC3)cc2)CC1 ZINC001218821532 1373657870 /nfs/dbraw/zinc/65/78/70/1373657870.db2.gz DDKYHWLGBZYBMG-IBGZPJMESA-N 2 0 329.488 3.342 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001218996577 1373676682 /nfs/dbraw/zinc/67/66/82/1373676682.db2.gz KHCFAZICNGRPFY-SBHAEUEKSA-N 2 0 349.478 3.238 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001218997695 1373676718 /nfs/dbraw/zinc/67/67/18/1373676718.db2.gz JUGZCPXVYFVRHW-SFHLNBCPSA-N 2 0 349.478 3.443 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001219349730 1373702636 /nfs/dbraw/zinc/70/26/36/1373702636.db2.gz WRGDHTXGZMCPLS-LJQANCHMSA-N 2 0 337.467 3.304 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001219954121 1373741206 /nfs/dbraw/zinc/74/12/06/1373741206.db2.gz DGPPBXMZWLVIFE-PMACEKPBSA-N 2 0 343.515 3.298 20 0 EGADRP CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222072061 1373815236 /nfs/dbraw/zinc/81/52/36/1373815236.db2.gz GBQRKCXONPFKHD-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC001131844173 1373834133 /nfs/dbraw/zinc/83/41/33/1373834133.db2.gz COSMVNPNICTTRF-SFHVURJKSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC2)c(C)c1 ZINC001326913736 1388350158 /nfs/dbraw/zinc/35/01/58/1388350158.db2.gz SOLPPXLRNUUEOH-IBGZPJMESA-N 2 0 345.531 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001223962896 1375049583 /nfs/dbraw/zinc/04/95/83/1375049583.db2.gz YSPMURINFDYTJR-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(CC)CC)[C@H]2C1 ZINC001223972206 1375050188 /nfs/dbraw/zinc/05/01/88/1375050188.db2.gz VJWHKYPCYSBPQN-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739212 1375072400 /nfs/dbraw/zinc/07/24/00/1375072400.db2.gz KJVAEQGYWOVBTP-PHWHVTFISA-N 2 0 349.563 3.435 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001224884132 1375082550 /nfs/dbraw/zinc/08/25/50/1375082550.db2.gz OTMULLWJBBYPDD-GOSISDBHSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC(C)(C)C ZINC001132105543 1375150229 /nfs/dbraw/zinc/15/02/29/1375150229.db2.gz ITJHPUASLBXCGQ-DLBZAZTESA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132149133 1375170795 /nfs/dbraw/zinc/17/07/95/1375170795.db2.gz GHYZQLGXRZNMAH-OBNUAKFSSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207222 1375208753 /nfs/dbraw/zinc/20/87/53/1375208753.db2.gz RJWJWKCCNLVBBS-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001226162132 1375213613 /nfs/dbraw/zinc/21/36/13/1375213613.db2.gz XABYXMLANWRFSF-GJGSYKPXSA-N 2 0 335.536 3.233 20 0 EGADRP Cc1cnc2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH2+]CCC(C)C)ccn12 ZINC001226259920 1375228690 /nfs/dbraw/zinc/22/86/90/1375228690.db2.gz UPRGIKUXNODOPE-QZTJIDSGSA-N 2 0 342.487 3.319 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001226267500 1375230557 /nfs/dbraw/zinc/23/05/57/1375230557.db2.gz KLVRPVWUPHTLPO-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCCC(C)(C)C ZINC001132269283 1375257254 /nfs/dbraw/zinc/25/72/54/1375257254.db2.gz IFFREDJZGLAXEK-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132274476 1375260342 /nfs/dbraw/zinc/26/03/42/1375260342.db2.gz UVPVJIYMZLFWCU-XLIONFOSSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001226766180 1375328511 /nfs/dbraw/zinc/32/85/11/1375328511.db2.gz IQGAKOQZFZFEBH-QXAKKESOSA-N 2 0 343.515 3.249 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226889996 1375353072 /nfs/dbraw/zinc/35/30/72/1375353072.db2.gz FARVVHAXZIUKGD-IOEMXKATSA-N 2 0 335.536 3.234 20 0 EGADRP CCc1cccc(C[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]2C)c1 ZINC001132409815 1375358596 /nfs/dbraw/zinc/35/85/96/1375358596.db2.gz FMGJMTUMWPKBOC-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP c1ccc(N2CCCC2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001327074615 1388373274 /nfs/dbraw/zinc/37/32/74/1388373274.db2.gz QRBDXIPFLVLMHD-LJQANCHMSA-N 2 0 327.516 3.498 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132434514 1375377868 /nfs/dbraw/zinc/37/78/68/1375377868.db2.gz XYKVODRVQXKWOQ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(CC)CC)C1 ZINC001132436343 1375380963 /nfs/dbraw/zinc/38/09/63/1375380963.db2.gz KRCBLIKEGNWEOE-FUHWJXTLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001227047416 1375382128 /nfs/dbraw/zinc/38/21/28/1375382128.db2.gz GGCBSDQJVLCMAR-VAMGGRTRSA-N 2 0 345.531 3.161 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132437451 1375382289 /nfs/dbraw/zinc/38/22/89/1375382289.db2.gz UVVGGXBXNOYJOA-HKUYNNGSSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132440737 1375384734 /nfs/dbraw/zinc/38/47/34/1375384734.db2.gz FHMNFTMRWQXGTF-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CC1CCC1 ZINC001132549327 1375455301 /nfs/dbraw/zinc/45/53/01/1375455301.db2.gz QQFAFSKXAJYGDJ-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703028 1375463622 /nfs/dbraw/zinc/46/36/22/1375463622.db2.gz AHBCIOPYHVAHMX-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC[NH+](CCC3CCCCCC3)CC2)CCC1 ZINC001227807008 1375477779 /nfs/dbraw/zinc/47/77/79/1375477779.db2.gz KETYSXBCRMDPLT-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227867218 1375484370 /nfs/dbraw/zinc/48/43/70/1375484370.db2.gz CCYVIYLXGJQARK-YLJYHZDGSA-N 2 0 343.515 3.203 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001227899732 1375489165 /nfs/dbraw/zinc/48/91/65/1375489165.db2.gz BTZVXEQTTCEIAT-PJHKVULZSA-N 2 0 335.536 3.234 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001228039422 1375509128 /nfs/dbraw/zinc/50/91/28/1375509128.db2.gz GRNBGLLMUOCBEV-QGZVFWFLSA-N 2 0 345.531 3.367 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001132739562 1375539434 /nfs/dbraw/zinc/53/94/34/1375539434.db2.gz RVVXSKNLOCZZAG-IEBWSBKVSA-N 2 0 349.494 3.105 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001132739563 1375539737 /nfs/dbraw/zinc/53/97/37/1375539737.db2.gz RVVXSKNLOCZZAG-MJGOQNOKSA-N 2 0 349.494 3.105 20 0 EGADRP O=C(NCC[NH2+]CC1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794872 1375568526 /nfs/dbraw/zinc/56/85/26/1375568526.db2.gz IXAGSRRKZGVBNJ-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001132889155 1375628429 /nfs/dbraw/zinc/62/84/29/1375628429.db2.gz XKOMLSDRKQTSQX-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)c1ccc(C(C)(C)C)cc1 ZINC001132995053 1375701975 /nfs/dbraw/zinc/70/19/75/1375701975.db2.gz KFOAYFJGGSHKPR-INIZCTEOSA-N 2 0 345.531 3.093 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133063708 1375752071 /nfs/dbraw/zinc/75/20/71/1375752071.db2.gz GHGWUGAAKJZKDG-AEFFLSMTSA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064542 1375753313 /nfs/dbraw/zinc/75/33/13/1375753313.db2.gz NUSAXTLVHGQAAU-AEFFLSMTSA-N 2 0 349.519 3.075 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001229074288 1375758368 /nfs/dbraw/zinc/75/83/68/1375758368.db2.gz WZOQDSADAUHWGO-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229125974 1375769100 /nfs/dbraw/zinc/76/91/00/1375769100.db2.gz DJIZSYLECIINBN-PWIZWCRZSA-N 2 0 345.531 3.425 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122723 1375787375 /nfs/dbraw/zinc/78/73/75/1375787375.db2.gz UQQGMDDYYAEYLO-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1)[NH+](C)C ZINC001229253550 1375795404 /nfs/dbraw/zinc/79/54/04/1375795404.db2.gz GXEDNTSZIVZEMZ-PXNSSMCTSA-N 2 0 345.531 3.285 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133252985 1375870741 /nfs/dbraw/zinc/87/07/41/1375870741.db2.gz AMFXNUPOTGGTBH-MJGOQNOKSA-N 2 0 339.568 3.229 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133252984 1375870959 /nfs/dbraw/zinc/87/09/59/1375870959.db2.gz AMFXNUPOTGGTBH-IEBWSBKVSA-N 2 0 339.568 3.229 20 0 EGADRP CCC(CC)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655560 1375872447 /nfs/dbraw/zinc/87/24/47/1375872447.db2.gz MZDBLZJHAKXZRM-IBGZPJMESA-N 2 0 339.568 3.370 20 0 EGADRP CCC(=O)C1(c2cccc(O[C@@H]3CCC[N@H+](C)C3)c2)CC[NH+](C)CC1 ZINC001229733658 1375883095 /nfs/dbraw/zinc/88/30/95/1375883095.db2.gz NHIYBIDAQDBJOJ-LJQANCHMSA-N 2 0 344.499 3.102 20 0 EGADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(F)cc2C[NH+](C)C)C1 ZINC001229858890 1375905368 /nfs/dbraw/zinc/90/53/68/1375905368.db2.gz UATQNIIDGJFTBO-CRAIPNDOSA-N 2 0 343.446 3.497 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133336565 1375929916 /nfs/dbraw/zinc/92/99/16/1375929916.db2.gz CITBQRMIVHHIAS-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133342048 1375932651 /nfs/dbraw/zinc/93/26/51/1375932651.db2.gz NGWDCUIJGRNBTQ-PKOBYXMFSA-N 2 0 345.531 3.092 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133360502 1375943587 /nfs/dbraw/zinc/94/35/87/1375943587.db2.gz MPGFLTSYMAMMBL-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001230334205 1376001434 /nfs/dbraw/zinc/00/14/34/1376001434.db2.gz LNLQUGUFQMJUPM-XXCOWLKOSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001230335388 1376002599 /nfs/dbraw/zinc/00/25/99/1376002599.db2.gz WOUGSLWZCWEMRS-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001230359536 1376007741 /nfs/dbraw/zinc/00/77/41/1376007741.db2.gz CRVLODPRVRXFNW-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1Cl)[NH+](CC)CC ZINC001133690750 1376157845 /nfs/dbraw/zinc/15/78/45/1376157845.db2.gz VKIBCVLUWATKON-RHSMWYFYSA-N 2 0 339.911 3.227 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001188985475 1388427828 /nfs/dbraw/zinc/42/78/28/1388427828.db2.gz GQSVRGUIPWAORA-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1cccc2ccccc21 ZINC001133834478 1376223851 /nfs/dbraw/zinc/22/38/51/1376223851.db2.gz YZIZELWXHDRYOP-DLBZAZTESA-N 2 0 339.483 3.091 20 0 EGADRP CCc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)s1 ZINC001231499267 1376252205 /nfs/dbraw/zinc/25/22/05/1376252205.db2.gz KSLCBTVKQNIOSB-UHFFFAOYSA-N 2 0 344.528 3.161 20 0 EGADRP OC1(c2ccc(F)cc2)CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014089 1376382079 /nfs/dbraw/zinc/38/20/79/1376382079.db2.gz JTNRDTBZFQVEOP-UHFFFAOYSA-N 2 0 325.387 3.186 20 0 EGADRP CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@@H]1C ZINC001232146350 1376409053 /nfs/dbraw/zinc/40/90/53/1376409053.db2.gz NTKBYVDHAPIQQK-KDOFPFPSSA-N 2 0 336.451 3.051 20 0 EGADRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Cl)c1 ZINC001232366762 1376451057 /nfs/dbraw/zinc/45/10/57/1376451057.db2.gz ZWNQBXMETSFCQR-UHFFFAOYSA-N 2 0 344.890 3.119 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369380 1376497419 /nfs/dbraw/zinc/49/74/19/1376497419.db2.gz KPCICLNTHRJYPF-IRXDYDNUSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(Br)ncc12 ZINC001232863871 1376525345 /nfs/dbraw/zinc/52/53/45/1376525345.db2.gz WBGTZHFVBMJSFJ-UHFFFAOYSA-N 2 0 339.281 3.099 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3[nH]nc4cc(F)ccc43)CC2)CC1 ZINC001233123367 1376573825 /nfs/dbraw/zinc/57/38/25/1376573825.db2.gz PBXVROBEEGBQIP-UHFFFAOYSA-N 2 0 330.451 3.256 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001134582926 1376606966 /nfs/dbraw/zinc/60/69/66/1376606966.db2.gz BPJOMIYIRPVZLH-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001134608635 1376622898 /nfs/dbraw/zinc/62/28/98/1376622898.db2.gz YEHCMWRZHXEJPP-CVEARBPZSA-N 2 0 349.494 3.013 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612015 1376624028 /nfs/dbraw/zinc/62/40/28/1376624028.db2.gz GKXXAHZVRGLURV-HOTGVXAUSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001134773149 1376714177 /nfs/dbraw/zinc/71/41/77/1376714177.db2.gz MFGWNEXADFEUOV-KBPBESRZSA-N 2 0 339.549 3.160 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858673 1376758100 /nfs/dbraw/zinc/75/81/00/1376758100.db2.gz XPUKVBHNTFDNCN-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858849 1376758539 /nfs/dbraw/zinc/75/85/39/1376758539.db2.gz ZEXFTQVNJKCUAP-IBQUMJASSA-N 2 0 335.536 3.234 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036842 1376837719 /nfs/dbraw/zinc/83/77/19/1376837719.db2.gz NZDGJRFLFIQBPZ-FBBABVLZSA-N 2 0 344.543 3.473 20 0 EGADRP Fc1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1-c1ccccc1 ZINC001235041913 1376838278 /nfs/dbraw/zinc/83/82/78/1376838278.db2.gz UWFPPIIBKKIEPS-WIYYLYMNSA-N 2 0 340.442 3.303 20 0 EGADRP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054634 1376843393 /nfs/dbraw/zinc/84/33/93/1376843393.db2.gz QJHDJDOOBQWIRU-FQEVSTJZSA-N 2 0 337.492 3.192 20 0 EGADRP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCCCC12CC[NH2+]CC2 ZINC001235189938 1376856302 /nfs/dbraw/zinc/85/63/02/1376856302.db2.gz QKBTWJPUCGCLRA-UHFFFAOYSA-N 3 0 348.560 3.027 20 0 EGADRP c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429174 1376869783 /nfs/dbraw/zinc/86/97/83/1376869783.db2.gz PVCRXVWNOVUHFO-RBUKOAKNSA-N 2 0 327.516 3.498 20 0 EGADRP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)OCCCO2 ZINC001235429188 1376870481 /nfs/dbraw/zinc/87/04/81/1376870481.db2.gz QCIOZZRSQMMYDK-MSOLQXFVSA-N 2 0 330.472 3.060 20 0 EGADRP COc1cc(F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429859 1376871827 /nfs/dbraw/zinc/87/18/27/1376871827.db2.gz RTSIIIWAVCSHGE-LSDHHAIUSA-N 2 0 336.451 3.055 20 0 EGADRP c1cc(-c2ccc3c(c2)CCC32CC[NH+](CC3C[NH2+]C3)CC2)ccn1 ZINC001235633866 1376880686 /nfs/dbraw/zinc/88/06/86/1376880686.db2.gz ZKJFXPBGFFJFJY-UHFFFAOYSA-N 2 0 333.479 3.248 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076935 1376881524 /nfs/dbraw/zinc/88/15/24/1376881524.db2.gz JGCRCPJMLXDDNS-IRXDYDNUSA-N 2 0 325.541 3.314 20 0 EGADRP COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001235727517 1376886419 /nfs/dbraw/zinc/88/64/19/1376886419.db2.gz SQXGPVGTOGZERT-FQEVSTJZSA-N 2 0 325.456 3.327 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101918 1376900357 /nfs/dbraw/zinc/90/03/57/1376900357.db2.gz TYWYOHVIHWNMAI-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP c1ccc(C[C@H]2C[NH2+]CCN2C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235846953 1376900676 /nfs/dbraw/zinc/90/06/76/1376900676.db2.gz AMPKTWGEQWPTEO-GOTSBHOMSA-N 2 0 349.522 3.025 20 0 EGADRP [NH3+]CCCC[NH+]1CCC2(COc3ccc(C(F)(F)F)cc32)CC1 ZINC001236006474 1376925624 /nfs/dbraw/zinc/92/56/24/1376925624.db2.gz SZVXRMZUJPHMGD-UHFFFAOYSA-N 2 0 328.378 3.170 20 0 EGADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(-c4cccs4)s3)C2)C1 ZINC001236074285 1376931036 /nfs/dbraw/zinc/93/10/36/1376931036.db2.gz WTTNNMLTVYLQEG-AWEZNQCLSA-N 2 0 333.526 3.084 20 0 EGADRP COc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc2c1NC(C)(C)C=C2 ZINC001236228544 1376942854 /nfs/dbraw/zinc/94/28/54/1376942854.db2.gz VYKFEWMENPBKQJ-UHFFFAOYSA-N 2 0 329.488 3.486 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181619 1376954819 /nfs/dbraw/zinc/95/48/19/1376954819.db2.gz RWSIJUWRXHCAGD-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135298096 1377026533 /nfs/dbraw/zinc/02/65/33/1377026533.db2.gz KLWRKTJAZIUDIF-GJZGRUSLSA-N 2 0 335.492 3.018 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299526 1377026953 /nfs/dbraw/zinc/02/69/53/1377026953.db2.gz XLEMAFVCKGWQGN-ZJBFNYKTSA-N 2 0 335.492 3.184 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135316343 1377034425 /nfs/dbraw/zinc/03/44/25/1377034425.db2.gz UNSCLSYGRYXLDK-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP FC(F)(F)c1ccc(Cl)c(C[NH2+][C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246158712 1377050422 /nfs/dbraw/zinc/05/04/22/1377050422.db2.gz HBTHEBPGTSLZHH-LLVKDONJSA-N 2 0 336.810 3.296 20 0 EGADRP Brc1cccc2c1C[C@@H]([NH2+]C1CCC3(C[NH2+]C3)CC1)CC2 ZINC001246380490 1377051647 /nfs/dbraw/zinc/05/16/47/1377051647.db2.gz WKWCUAJADIZWQC-HNNXBMFYSA-N 2 0 349.316 3.428 20 0 EGADRP CCCC[C@H]1C[C@@H](NC2(c3ccc(OC)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380747 1377051707 /nfs/dbraw/zinc/05/17/07/1377051707.db2.gz MVRVLBAAJCSPLV-OALUTQOASA-N 2 0 345.531 3.174 20 0 EGADRP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246747803 1377054355 /nfs/dbraw/zinc/05/43/55/1377054355.db2.gz RXOKLLKPXRKSQY-LLLHUVSDSA-N 2 0 347.528 3.094 20 0 EGADRP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2CSC3(C[NH2+]C3)C2)CC1 ZINC001246745858 1377054448 /nfs/dbraw/zinc/05/44/48/1377054448.db2.gz GKWWRYFZUCLNEE-KRWDZBQOSA-N 2 0 328.525 3.122 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@@H]1CCCc2ccccc21 ZINC001327277354 1388478419 /nfs/dbraw/zinc/47/84/19/1388478419.db2.gz PFWAVIXDOGIESG-HXUWFJFHSA-N 2 0 345.531 3.186 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001135437793 1377097982 /nfs/dbraw/zinc/09/79/82/1377097982.db2.gz XOHWHXYFIYMZSM-SFHVURJKSA-N 2 0 333.520 3.274 20 0 EGADRP Cc1cc(F)cc(CN2CCC([NH2+][C@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254510505 1377104986 /nfs/dbraw/zinc/10/49/86/1377104986.db2.gz XENFLZFPAMMEME-IBGZPJMESA-N 2 0 333.495 3.172 20 0 EGADRP C[N@@H+]1CCC[C@@H](N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001254508482 1377105568 /nfs/dbraw/zinc/10/55/68/1377105568.db2.gz JMDRPRULDILQFV-PQZCDXGSSA-N 2 0 347.506 3.047 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471420 1377109040 /nfs/dbraw/zinc/10/90/40/1377109040.db2.gz MCLWMBCQRRIVPV-ZWKOTPCHSA-N 2 0 345.531 3.243 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471723 1377109694 /nfs/dbraw/zinc/10/96/94/1377109694.db2.gz ORMUHNIUISBGBB-IRXDYDNUSA-N 2 0 333.520 3.077 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135480356 1377112360 /nfs/dbraw/zinc/11/23/60/1377112360.db2.gz BDNDHJRVKVJSBX-IRXDYDNUSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481761 1377113808 /nfs/dbraw/zinc/11/38/08/1377113808.db2.gz WXMPTOXPNHJHCL-HOTGVXAUSA-N 2 0 339.568 3.273 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccsc1 ZINC001135482054 1377114360 /nfs/dbraw/zinc/11/43/60/1377114360.db2.gz ZZAOROZXSGNNBP-CABCVRRESA-N 2 0 339.549 3.099 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258519472 1377116868 /nfs/dbraw/zinc/11/68/68/1377116868.db2.gz HMTGUEIIAKVWBQ-BCDXTJNWSA-N 2 0 336.520 3.303 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135742894 1377198926 /nfs/dbraw/zinc/19/89/26/1377198926.db2.gz AQIVSECFXHHQFU-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135746657 1377200315 /nfs/dbraw/zinc/20/03/15/1377200315.db2.gz JBZPMNHRXHTULP-DKWYEQIVSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823520 1377222434 /nfs/dbraw/zinc/22/24/34/1377222434.db2.gz BUMOMOYIGBKMRU-QZTJIDSGSA-N 2 0 339.568 3.416 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827568 1377223782 /nfs/dbraw/zinc/22/37/82/1377223782.db2.gz YJHADGYHBYMZRN-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135861050 1377237935 /nfs/dbraw/zinc/23/79/35/1377237935.db2.gz LTEGFGJGSXAVQS-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135860704 1377238097 /nfs/dbraw/zinc/23/80/97/1377238097.db2.gz GMGCYXXBUNOCHS-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135860899 1377238331 /nfs/dbraw/zinc/23/83/31/1377238331.db2.gz IWRSGCOORCUZAV-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001266245789 1377243709 /nfs/dbraw/zinc/24/37/09/1377243709.db2.gz GRKWGFJUPHSCFS-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961946 1377278306 /nfs/dbraw/zinc/27/83/06/1377278306.db2.gz ZEKDSFKQWVZYQM-ZWKOTPCHSA-N 2 0 333.520 3.100 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CCCC[NH+](C)C ZINC001135974491 1377283911 /nfs/dbraw/zinc/28/39/11/1377283911.db2.gz QEAKAWOESTYKLQ-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001135995624 1377292079 /nfs/dbraw/zinc/29/20/79/1377292079.db2.gz IRSZKGKHTRKKOG-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266479704 1377317555 /nfs/dbraw/zinc/31/75/55/1377317555.db2.gz BFAFNIKNXHDQRF-RBUKOAKNSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCCCCC1 ZINC001266972018 1377405939 /nfs/dbraw/zinc/40/59/39/1377405939.db2.gz SOJYBWAOGFQZLE-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001136615587 1377409125 /nfs/dbraw/zinc/40/91/25/1377409125.db2.gz NHYMPHYSAAGHLQ-KRWDZBQOSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001267129315 1377416214 /nfs/dbraw/zinc/41/62/14/1377416214.db2.gz NKQZNIKXXTWCFX-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1cccn2c(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)cnc12 ZINC001136964308 1377446085 /nfs/dbraw/zinc/44/60/85/1377446085.db2.gz INRGXIFDGBSREE-UHFFFAOYSA-N 2 0 326.488 3.197 20 0 EGADRP CCCC[NH+]1CCC(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001267948613 1377479942 /nfs/dbraw/zinc/47/99/42/1377479942.db2.gz MOVHVPRIMNDTIG-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(Cl)nc1 ZINC001137168912 1377490369 /nfs/dbraw/zinc/49/03/69/1377490369.db2.gz WLZUVXGYLPLQEH-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001137176553 1377491309 /nfs/dbraw/zinc/49/13/09/1377491309.db2.gz XKYWZUMTOCQYTG-UVHRUJRTSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234612 1377544609 /nfs/dbraw/zinc/54/46/09/1377544609.db2.gz BKCPRTNAHQTCPI-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC001138147413 1377685335 /nfs/dbraw/zinc/68/53/35/1377685335.db2.gz RIIBLAIGTNGACI-UHFFFAOYSA-N 2 0 339.277 3.072 20 0 EGADRP CCCc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC001138525405 1377737079 /nfs/dbraw/zinc/73/70/79/1377737079.db2.gz BJQWUERFNFNHIX-UHFFFAOYSA-N 2 0 325.566 3.406 20 0 EGADRP CNc1ncccc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695265 1377769424 /nfs/dbraw/zinc/76/94/24/1377769424.db2.gz ZXBQMMCLSCTGRR-ICSRJNTNSA-N 2 0 336.483 3.077 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2c(OC)cccc12 ZINC001138752453 1377780618 /nfs/dbraw/zinc/78/06/18/1377780618.db2.gz GTJBCQANDGJINQ-NRFANRHFSA-N 2 0 340.467 3.385 20 0 EGADRP Clc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)ccn1 ZINC001138818106 1377791120 /nfs/dbraw/zinc/79/11/20/1377791120.db2.gz BBPIUUGHWJZCCU-UHFFFAOYSA-N 2 0 337.895 3.059 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139337749 1377869554 /nfs/dbraw/zinc/86/95/54/1377869554.db2.gz ZIKDCFPLADKPKH-UHFFFAOYSA-N 2 0 341.499 3.005 20 0 EGADRP CC(C)c1nc(CC[N@H+](C)Cc2ccc(-n3ccnc3)cc2)no1 ZINC001139356228 1377872675 /nfs/dbraw/zinc/87/26/75/1377872675.db2.gz JZKRHEMHQIVEMQ-UHFFFAOYSA-N 2 0 325.416 3.053 20 0 EGADRP c1cncc(-c2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2)c1 ZINC001139639466 1377923716 /nfs/dbraw/zinc/92/37/16/1377923716.db2.gz DTRPEMRSYJFAGS-UHFFFAOYSA-N 2 0 330.435 3.466 20 0 EGADRP C[N@@H+](Cc1cn2ccncc2n1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139698740 1377936871 /nfs/dbraw/zinc/93/68/71/1377936871.db2.gz GJZYUHUGDAXFMZ-UHFFFAOYSA-N 2 0 349.482 3.073 20 0 EGADRP Cn1ncc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc21 ZINC001139951608 1377981537 /nfs/dbraw/zinc/98/15/37/1377981537.db2.gz JMBZMZJKLZXTGY-IBGZPJMESA-N 2 0 326.488 3.414 20 0 EGADRP Brc1cccc2[nH]cc(C[N@H+]3CCc4nccn4CC3)c21 ZINC001139966031 1377984422 /nfs/dbraw/zinc/98/44/22/1377984422.db2.gz HKJAJMUQMNZSQB-UHFFFAOYSA-N 2 0 345.244 3.185 20 0 EGADRP c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccncn2)CC3)c1 ZINC001140343850 1378050422 /nfs/dbraw/zinc/05/04/22/1378050422.db2.gz MCYUMWLPKZBLEI-UHFFFAOYSA-N 2 0 342.512 3.416 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC(C)C1)C2)[NH+](C)C ZINC001274035235 1378114500 /nfs/dbraw/zinc/11/45/00/1378114500.db2.gz HEJPZTIYKMZADP-LAGYLCCXSA-N 2 0 343.515 3.005 20 0 EGADRP CCCCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1 ZINC001276336649 1378172072 /nfs/dbraw/zinc/17/20/72/1378172072.db2.gz OXMHTVJEZSOCPM-OYRHEFFESA-N 2 0 329.532 3.239 20 0 EGADRP CCCCc1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001276336214 1378172210 /nfs/dbraw/zinc/17/22/10/1378172210.db2.gz GNNGBTJRYMIJES-UHFFFAOYSA-N 2 0 343.559 3.489 20 0 EGADRP CS[C@@H](C)CC[N@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276470763 1378174462 /nfs/dbraw/zinc/17/44/62/1378174462.db2.gz RZOPLRIDSFTIFX-YESZJQIVSA-N 2 0 349.544 3.073 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001276492587 1378175661 /nfs/dbraw/zinc/17/56/61/1378175661.db2.gz WMJSZYFZZPCFPW-YADHBBJMSA-N 2 0 341.543 3.459 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)CC1 ZINC001276492695 1378175926 /nfs/dbraw/zinc/17/59/26/1378175926.db2.gz YKSOQFVYAUZDPK-IRXDYDNUSA-N 2 0 347.469 3.209 20 0 EGADRP CCc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001141226734 1378276069 /nfs/dbraw/zinc/27/60/69/1378276069.db2.gz GDRYVRJQWVFHGF-FGZHOGPDSA-N 2 0 342.527 3.429 20 0 EGADRP Cc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1Cl ZINC001141236509 1378279270 /nfs/dbraw/zinc/27/92/70/1378279270.db2.gz UDPBRLXEPCQRPO-UHFFFAOYSA-N 2 0 325.928 3.354 20 0 EGADRP CC[NH+](CC)CCN1CCN(Cc2coc3ccc(F)cc23)CC1 ZINC001141846675 1378384853 /nfs/dbraw/zinc/38/48/53/1378384853.db2.gz ILKMFYKZAYPMBC-UHFFFAOYSA-N 2 0 333.451 3.031 20 0 EGADRP CSc1ncc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(Cl)n1 ZINC001142436059 1378443595 /nfs/dbraw/zinc/44/35/95/1378443595.db2.gz XPNXEPMQAZCVIS-UHFFFAOYSA-N 2 0 340.924 3.160 20 0 EGADRP COC(=O)c1ccc2[nH]cc(CN3CCC([N@H+](C)C4CC4)CC3)c2c1 ZINC001143240368 1378568351 /nfs/dbraw/zinc/56/83/51/1378568351.db2.gz CTZXFPKGFQAEAC-UHFFFAOYSA-N 2 0 341.455 3.013 20 0 EGADRP Fc1ccc(OC(F)F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327563368 1388559881 /nfs/dbraw/zinc/55/98/81/1388559881.db2.gz QKPDMYXZQXWCNM-UHFFFAOYSA-N 2 0 328.378 3.393 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001143838513 1378651904 /nfs/dbraw/zinc/65/19/04/1378651904.db2.gz LJIWWOJSEXTVCI-HKUYNNGSSA-N 2 0 345.531 3.352 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398716 1378834742 /nfs/dbraw/zinc/83/47/42/1378834742.db2.gz RCRKOUHGQWARJP-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)C[NH+]1CCCC1 ZINC001146399400 1378834913 /nfs/dbraw/zinc/83/49/13/1378834913.db2.gz WPQACBYZIYIPHQ-DLBZAZTESA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146582227 1378870676 /nfs/dbraw/zinc/87/06/76/1378870676.db2.gz FQSWWFTXQLYVHG-IAGOWNOFSA-N 2 0 333.520 3.281 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146582224 1378871175 /nfs/dbraw/zinc/87/11/75/1378871175.db2.gz FQSWWFTXQLYVHG-DLBZAZTESA-N 2 0 333.520 3.281 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001146608769 1378876703 /nfs/dbraw/zinc/87/67/03/1378876703.db2.gz BDQOOLQWBXZQDV-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146701587 1378900747 /nfs/dbraw/zinc/90/07/47/1378900747.db2.gz NOFRUBLEJJQKHK-CVEARBPZSA-N 2 0 337.508 3.408 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541333 1379039626 /nfs/dbraw/zinc/03/96/26/1379039626.db2.gz MLZREPQVURUSPN-MOPGFXCFSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001147893533 1379098055 /nfs/dbraw/zinc/09/80/55/1379098055.db2.gz RFUKKAGSLULYGL-IAGOWNOFSA-N 2 0 345.531 3.093 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001283705648 1379131749 /nfs/dbraw/zinc/13/17/49/1379131749.db2.gz URDBODUPOFALTR-IAGOWNOFSA-N 2 0 345.531 3.015 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148469775 1379179339 /nfs/dbraw/zinc/17/93/39/1379179339.db2.gz UYGKKYLAKSDFHJ-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001148577761 1379215921 /nfs/dbraw/zinc/21/59/21/1379215921.db2.gz BOKNPMYHAIODHJ-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001148642096 1379233066 /nfs/dbraw/zinc/23/30/66/1379233066.db2.gz FAQZDEXZKISSBF-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001149137522 1379331529 /nfs/dbraw/zinc/33/15/29/1379331529.db2.gz CJEPNRHJJQNCEE-ICSRJNTNSA-N 2 0 345.531 3.278 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1)CC(C)(C)C ZINC001152023407 1379842182 /nfs/dbraw/zinc/84/21/82/1379842182.db2.gz JLEWSUHEODHJTR-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152457942 1379936743 /nfs/dbraw/zinc/93/67/43/1379936743.db2.gz JDXIYNKGBQDCJD-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC001152474022 1379939791 /nfs/dbraw/zinc/93/97/91/1379939791.db2.gz YLOUBRBOJJNJKY-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]Cc2csc(C)c2)o1 ZINC001153266328 1380046967 /nfs/dbraw/zinc/04/69/67/1380046967.db2.gz BUPVCPTXBNBIJE-UHFFFAOYSA-N 2 0 349.500 3.011 20 0 EGADRP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677656 1380113325 /nfs/dbraw/zinc/11/33/25/1380113325.db2.gz LWIFHZFPAOUMQC-STMXVASLSA-N 2 0 343.924 3.002 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677930 1380113554 /nfs/dbraw/zinc/11/35/54/1380113554.db2.gz RZSQLUYIFYYKEK-OAHLLOKOSA-N 2 0 339.549 3.296 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677620 1380113634 /nfs/dbraw/zinc/11/36/34/1380113634.db2.gz JQYLUBYYLZJDDX-OAHLLOKOSA-N 2 0 339.549 3.440 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153727949 1380119581 /nfs/dbraw/zinc/11/95/81/1380119581.db2.gz ITWNZQRWPIKLOO-PSUNPMBVSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153802524 1380132469 /nfs/dbraw/zinc/13/24/69/1380132469.db2.gz JOYCFDSVGZBOQO-UYAOXDASSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814347 1380134975 /nfs/dbraw/zinc/13/49/75/1380134975.db2.gz BSCOKGLLDWEUEC-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823818 1380137595 /nfs/dbraw/zinc/13/75/95/1380137595.db2.gz AIVGROJIAZEJSC-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828286 1380138140 /nfs/dbraw/zinc/13/81/40/1380138140.db2.gz JWCUYPKOFBSKNP-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880127 1380149068 /nfs/dbraw/zinc/14/90/68/1380149068.db2.gz ZUSBIMUTEZMCPL-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930504 1380157017 /nfs/dbraw/zinc/15/70/17/1380157017.db2.gz NHONLDFSYQDQBJ-MJGOQNOKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116288 1380211837 /nfs/dbraw/zinc/21/18/37/1380211837.db2.gz GCSNJVOZPDJJNY-LSDHHAIUSA-N 2 0 330.476 3.129 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167964 1380219806 /nfs/dbraw/zinc/21/98/06/1380219806.db2.gz XGICLIKKWVBWAZ-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167974 1380219859 /nfs/dbraw/zinc/21/98/59/1380219859.db2.gz XQPDBFMKUWXRRI-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481752 1380286367 /nfs/dbraw/zinc/28/63/67/1380286367.db2.gz SPBWOECHNRDLNC-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154784992 1380350827 /nfs/dbraw/zinc/35/08/27/1380350827.db2.gz VATLSYCNPFQUIA-MSOLQXFVSA-N 2 0 325.541 3.125 20 0 EGADRP c1ccc2c(c1)CC[N@H+]1CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001155094950 1380407085 /nfs/dbraw/zinc/40/70/85/1380407085.db2.gz HIXOBUKRBFHLBS-OAQYLSRUSA-N 2 0 348.494 3.097 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155225952 1380426454 /nfs/dbraw/zinc/42/64/54/1380426454.db2.gz DCQRJZOBAKQOPF-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155263220 1380430153 /nfs/dbraw/zinc/43/01/53/1380430153.db2.gz NHQVAPQPMYVYDE-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001155802145 1380493558 /nfs/dbraw/zinc/49/35/58/1380493558.db2.gz GVTCEXKKDPOGAE-JXFKEZNVSA-N 2 0 339.483 3.091 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993968 1380511738 /nfs/dbraw/zinc/51/17/38/1380511738.db2.gz CKQWQWFJLKBAST-CSHXORCISA-N 2 0 337.552 3.291 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374130 1380567008 /nfs/dbraw/zinc/56/70/08/1380567008.db2.gz JXHVFZNOLJOURN-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428718 1380575177 /nfs/dbraw/zinc/57/51/77/1380575177.db2.gz WOOVSXSBRXXWDE-MRXNPFEDSA-N 2 0 344.503 3.088 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086416 1380772445 /nfs/dbraw/zinc/77/24/45/1380772445.db2.gz SRTRZTNVPAJOSW-IAGOWNOFSA-N 2 0 333.520 3.235 20 0 EGADRP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098749 1380774853 /nfs/dbraw/zinc/77/48/53/1380774853.db2.gz WWUJSBICOFCBAP-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098419 1380774907 /nfs/dbraw/zinc/77/49/07/1380774907.db2.gz FEGMPMHBZQFHPK-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098792 1380774919 /nfs/dbraw/zinc/77/49/19/1380774919.db2.gz YPIWCRQEJVHAPC-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109739 1380778848 /nfs/dbraw/zinc/77/88/48/1380778848.db2.gz TYJVFPJPEZTFKR-CYBMUJFWSA-N 2 0 345.940 3.068 20 0 EGADRP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138368 1380784389 /nfs/dbraw/zinc/78/43/89/1380784389.db2.gz XOJSMCAWQAOGPS-LXPRWKDFSA-N 2 0 345.531 3.235 20 0 EGADRP C[N@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701878 1381008263 /nfs/dbraw/zinc/00/82/63/1381008263.db2.gz KQRYNBFVPDRYEJ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973402 1381089248 /nfs/dbraw/zinc/08/92/48/1381089248.db2.gz ASUQTEBIWPCEJM-IEVDXQOXSA-N 2 0 349.563 3.386 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097755 1381126341 /nfs/dbraw/zinc/12/63/41/1381126341.db2.gz DQOAPSXYZMDVOX-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434816 1381245006 /nfs/dbraw/zinc/24/50/06/1381245006.db2.gz NDYMMKDWZRTKRA-ROUKRRSUSA-N 2 0 349.563 3.388 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486750 1381263692 /nfs/dbraw/zinc/26/36/92/1381263692.db2.gz JCQXCWIRTDJLOV-COQIJWMOSA-N 2 0 337.552 3.386 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1)[NH+](CC)CC ZINC001158491107 1381265971 /nfs/dbraw/zinc/26/59/71/1381265971.db2.gz JOAICNIWOGEAIJ-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP c1ccc(C[N@@H+]2CCc3nc(NCC[C@H]4CCC[NH2+]4)ccc3C2)cc1 ZINC001158628727 1381330993 /nfs/dbraw/zinc/33/09/93/1381330993.db2.gz MAEUKLKDZAZOAL-LJQANCHMSA-N 2 0 336.483 3.194 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158645932 1381335324 /nfs/dbraw/zinc/33/53/24/1381335324.db2.gz DPVQHDRZGUEZRW-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158913781 1381461319 /nfs/dbraw/zinc/46/13/19/1381461319.db2.gz CJZBIVJQJLCAJG-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP [NH3+]CCCCCCCC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968003 1381490745 /nfs/dbraw/zinc/49/07/45/1381490745.db2.gz IEDFXPVTULCXAC-UHFFFAOYSA-N 2 0 335.536 3.153 20 0 EGADRP c1c(Nc2ccc(COC3CC[NH2+]CC3)cc2)onc1[C@H]1CCC[NH2+]1 ZINC001159309954 1381759018 /nfs/dbraw/zinc/75/90/18/1381759018.db2.gz ZUXPMGZZKOTWEI-QGZVFWFLSA-N 2 0 342.443 3.111 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cn(-c3ncccc3F)c3ccccc23)CC1 ZINC001159460003 1381799304 /nfs/dbraw/zinc/79/93/04/1381799304.db2.gz KBTONKRPZQMONL-UHFFFAOYSA-N 2 0 338.430 3.130 20 0 EGADRP c1cc2c(c(Nc3ccc(COC4CC[NH2+]CC4)cc3)c1)CC[NH2+]C2 ZINC001159548776 1381825222 /nfs/dbraw/zinc/82/52/22/1381825222.db2.gz OXWZHKUAFYCXNR-UHFFFAOYSA-N 2 0 337.467 3.345 20 0 EGADRP c1cc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)ccc1CN1CC[NH2+]CC1 ZINC001159571579 1381833650 /nfs/dbraw/zinc/83/36/50/1381833650.db2.gz QEQPUCIOQHGOSS-NRFANRHFSA-N 2 0 336.483 3.260 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccc(CN3CC[NH2+]CC3)c2)c1F ZINC001159637228 1381855504 /nfs/dbraw/zinc/85/55/04/1381855504.db2.gz LGBCGBCNTFDHHW-UHFFFAOYSA-N 2 0 342.462 3.036 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1nc(-c2ccccc2F)nc2ccc(F)cc21 ZINC001159783087 1381898983 /nfs/dbraw/zinc/89/89/83/1381898983.db2.gz BDKPXUWOWYNTNY-INIZCTEOSA-N 2 0 343.381 3.011 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc(Cl)nc1Oc1cccc(Cl)c1 ZINC001159789323 1381900874 /nfs/dbraw/zinc/90/08/74/1381900874.db2.gz SHYDJENDNTXPMB-LBPRGKRZSA-N 2 0 342.230 3.011 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001159909219 1381934627 /nfs/dbraw/zinc/93/46/27/1381934627.db2.gz LMIZJZJZVVKKOP-IRXDYDNUSA-N 2 0 349.494 3.246 20 0 EGADRP c1ccc(C[N@@H+]2CCc3nc(NC[C@H]4CCCC[NH2+]4)ccc3C2)cc1 ZINC001160145882 1382015716 /nfs/dbraw/zinc/01/57/16/1382015716.db2.gz XAOCDGFCWNODRF-LJQANCHMSA-N 2 0 336.483 3.194 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001160274457 1382057851 /nfs/dbraw/zinc/05/78/51/1382057851.db2.gz SPWYBFFZOZZDJO-MOPGFXCFSA-N 2 0 345.531 3.335 20 0 EGADRP CC1(C)C[NH2+]Cc2cc(Nc3cc[nH+]c(N4CCOCC4)c3)ccc21 ZINC001160284496 1382061540 /nfs/dbraw/zinc/06/15/40/1382061540.db2.gz AAUIZJPGTSKKSZ-UHFFFAOYSA-N 2 0 338.455 3.043 20 0 EGADRP c1[nH+]cn(Cc2ccccc2)c1Nc1ccccc1CN1CC[NH2+]CC1 ZINC001160298742 1382066031 /nfs/dbraw/zinc/06/60/31/1382066031.db2.gz GFJHJPJKPATJBN-UHFFFAOYSA-N 2 0 347.466 3.080 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2=CC[N@H+](CC3=CCCCC3)CC2)CCC1 ZINC001160360079 1382082770 /nfs/dbraw/zinc/08/27/70/1382082770.db2.gz IJCTVTGZHJXAMP-UHFFFAOYSA-N 2 0 345.531 3.110 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160360338 1382082780 /nfs/dbraw/zinc/08/27/80/1382082780.db2.gz PINIZMSBCIMDEO-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001160405902 1382095660 /nfs/dbraw/zinc/09/56/60/1382095660.db2.gz DXFNSEBPZSNXJE-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001160435455 1382102614 /nfs/dbraw/zinc/10/26/14/1382102614.db2.gz XIRWXZZZNZTRSO-PBHICJAKSA-N 2 0 339.911 3.083 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160467891 1382114241 /nfs/dbraw/zinc/11/42/41/1382114241.db2.gz YPMUQGWWMDQLSK-VQTJNVASSA-N 2 0 345.531 3.108 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856936 1382217596 /nfs/dbraw/zinc/21/75/96/1382217596.db2.gz SFPDLCHVQUCUGW-WAYWQWQTSA-N 2 0 347.547 3.356 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]([NH3+])C3CCCCC3)CC2)CC1 ZINC001161046572 1382282492 /nfs/dbraw/zinc/28/24/92/1382282492.db2.gz NERSQRPJSOPQRL-FQEVSTJZSA-N 2 0 349.563 3.255 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@]3(CC)CCC[NH2+]C3)CC2)CC1 ZINC001161046385 1382282620 /nfs/dbraw/zinc/28/26/20/1382282620.db2.gz KAPJKUDIIRJANG-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP CN(C(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060489 1382286180 /nfs/dbraw/zinc/28/61/80/1382286180.db2.gz BSTJYWIBPAQDJV-RRFJBIMHSA-N 2 0 344.286 3.112 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC001293540000 1382297757 /nfs/dbraw/zinc/29/77/57/1382297757.db2.gz HBTZLMVBRNMISL-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C)c1cc[nH+]c(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c1 ZINC001161180279 1382328660 /nfs/dbraw/zinc/32/86/60/1382328660.db2.gz BLJXZPGJMGFNPS-INIZCTEOSA-N 2 0 330.863 3.487 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](C[C@@H](C)CC)CC1)[NH+](CC)CC ZINC001161214290 1382344838 /nfs/dbraw/zinc/34/48/38/1382344838.db2.gz XSIOSQGHZPJKDV-PKOBYXMFSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001161390664 1382394044 /nfs/dbraw/zinc/39/40/44/1382394044.db2.gz IOLBMJRYLBJBBE-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccc(CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161401142 1382399865 /nfs/dbraw/zinc/39/98/65/1382399865.db2.gz QBQKXYVDGBKNNW-GUDVDZBRSA-N 2 0 345.531 3.357 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444328 1382412158 /nfs/dbraw/zinc/41/21/58/1382412158.db2.gz BZVXPXKOPPFVAD-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444326 1382412200 /nfs/dbraw/zinc/41/22/00/1382412200.db2.gz BZVXPXKOPPFVAD-VQTJNVASSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001294428696 1382456791 /nfs/dbraw/zinc/45/67/91/1382456791.db2.gz TXYQARSMYJQCCJ-AZUAARDMSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1cccc(C(C)(C)CNc2cccc(N3CCC([NH3+])CC3)[nH+]2)n1 ZINC001161642825 1382467237 /nfs/dbraw/zinc/46/72/37/1382467237.db2.gz MPXBXRRKKILOGX-UHFFFAOYSA-N 2 0 339.487 3.102 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001161644943 1382468562 /nfs/dbraw/zinc/46/85/62/1382468562.db2.gz VRZWGFVQVHVPGZ-AZUAARDMSA-N 2 0 345.531 3.272 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755264 1382495914 /nfs/dbraw/zinc/49/59/14/1382495914.db2.gz STTQZAJPTILLDU-FPLPWBNLSA-N 2 0 335.536 3.213 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755263 1382496293 /nfs/dbraw/zinc/49/62/93/1382496293.db2.gz STTQZAJPTILLDU-BQYQJAHWSA-N 2 0 335.536 3.213 20 0 EGADRP CC1CC(C[N@H+]2CC=C(CCNC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001161938821 1382562626 /nfs/dbraw/zinc/56/26/26/1382562626.db2.gz YCDLHIBBBFQFLM-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CCOc1cc[nH+]c(NC2(c3cccc(OC)c3)CC[NH2+]CC2)c1 ZINC001161994517 1382593114 /nfs/dbraw/zinc/59/31/14/1382593114.db2.gz AMNQINONWUICOO-UHFFFAOYSA-N 2 0 327.428 3.180 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328682465 1388805336 /nfs/dbraw/zinc/80/53/36/1388805336.db2.gz VCTQMNYKGXGJOS-GXSJLCMTSA-N 2 0 336.329 3.106 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001162467517 1382766482 /nfs/dbraw/zinc/76/64/82/1382766482.db2.gz QVMYSUQJIHEIAX-WMZOPIPTSA-N 2 0 331.504 3.003 20 0 EGADRP F[C@]1(CNc2ccc(SC3CC[NH2+]CC3)cc2)CCCC[NH2+]C1 ZINC001162586676 1382799633 /nfs/dbraw/zinc/79/96/33/1382799633.db2.gz ZOPBHNDQFJONBT-GOSISDBHSA-N 2 0 337.508 3.424 20 0 EGADRP c1nc2cc(N[C@@]34CCC[C@@H]3[NH2+]CC4)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001162985017 1382938102 /nfs/dbraw/zinc/93/81/02/1382938102.db2.gz XFJWOFRDEFZBMS-FFZOFVMBSA-N 2 0 339.487 3.047 20 0 EGADRP Brc1cc2c[nH+]cn2c(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163230683 1383001487 /nfs/dbraw/zinc/00/14/87/1383001487.db2.gz QEJZEPPFEGDGJD-LBPRGKRZSA-N 2 0 349.257 3.415 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC2=CCCCC2)CCCCC1 ZINC001163242519 1383003533 /nfs/dbraw/zinc/00/35/33/1383003533.db2.gz LSVWEBRPEKABEY-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(N[C@H]3CC[N@@H+](C(C)C)C[C@H]3C)[nH+]cc21 ZINC001163366650 1383032867 /nfs/dbraw/zinc/03/28/67/1383032867.db2.gz WAAVFGGLPHZILL-CJNGLKHVSA-N 2 0 344.459 3.270 20 0 EGADRP Cc1cccc(N2CCN(c3nccc4c5c([nH]c43)CCC5)CC2)n1 ZINC001163668099 1383099847 /nfs/dbraw/zinc/09/98/47/1383099847.db2.gz NZAOPQPTARJCRJ-UHFFFAOYSA-N 2 0 333.439 3.082 20 0 EGADRP C[N@@H+]1CCN(c2ncccc2C[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC001163674165 1383102792 /nfs/dbraw/zinc/10/27/92/1383102792.db2.gz IHRPECANPMORJB-HXUWFJFHSA-N 2 0 336.483 3.171 20 0 EGADRP CC[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001163822188 1383125814 /nfs/dbraw/zinc/12/58/14/1383125814.db2.gz UZZKUVBAPOGDNL-OALUTQOASA-N 2 0 343.515 3.108 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001164449606 1383187879 /nfs/dbraw/zinc/18/78/79/1383187879.db2.gz ODEVGCNBJJPCJA-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500675 1383193897 /nfs/dbraw/zinc/19/38/97/1383193897.db2.gz AVHAVCKIHXFLJG-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+]1C[C@H]2CN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C[C@@H]2C1 ZINC001165148665 1383236996 /nfs/dbraw/zinc/23/69/96/1383236996.db2.gz JDYQVQWNFFNYKT-ROUUACIJSA-N 2 0 332.451 3.082 20 0 EGADRP c1cnc(O[C@H]2CC[NH2+]C2)c(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001165213171 1383249605 /nfs/dbraw/zinc/24/96/05/1383249605.db2.gz RPDBHWQFAPJFHD-SFHVURJKSA-N 2 0 338.455 3.162 20 0 EGADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165243095 1383256381 /nfs/dbraw/zinc/25/63/81/1383256381.db2.gz LIPHZRGIYUJWBZ-NRFANRHFSA-N 2 0 336.483 3.415 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165331711 1383274694 /nfs/dbraw/zinc/27/46/94/1383274694.db2.gz ARYCDVDCVJQDPR-LIXSYLKWSA-N 2 0 349.563 3.483 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165333621 1383275981 /nfs/dbraw/zinc/27/59/81/1383275981.db2.gz RPOJFNBODZXBJM-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1)C1CC1 ZINC001165485304 1383301810 /nfs/dbraw/zinc/30/18/10/1383301810.db2.gz RHIOXRZKDRAFGO-LJQANCHMSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)[NH+](CC)CC ZINC001166447654 1383423649 /nfs/dbraw/zinc/42/36/49/1383423649.db2.gz MSLCVHXWUJFXFD-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21)[NH+](CC)CC ZINC001166447642 1383423658 /nfs/dbraw/zinc/42/36/58/1383423658.db2.gz MLOHPEYGQKVCLX-MOPGFXCFSA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)[NH+](CC)CC ZINC001166448194 1383423802 /nfs/dbraw/zinc/42/38/02/1383423802.db2.gz RQZDGAZNCDTZKP-PMACEKPBSA-N 2 0 345.531 3.280 20 0 EGADRP CC(C)(C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001166545816 1383436466 /nfs/dbraw/zinc/43/64/66/1383436466.db2.gz PDCIAFMVFVUAQQ-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[NH+]1CCC(CNc2[nH+]c(N)ccc2NC(=O)C(C)(C)C)CC1 ZINC001166602912 1383444555 /nfs/dbraw/zinc/44/45/55/1383444555.db2.gz BKUYJNWEMMLCRF-UHFFFAOYSA-N 2 0 347.507 3.181 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240175 1383573010 /nfs/dbraw/zinc/57/30/10/1383573010.db2.gz DQQIPTDCKPFQKG-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP COC(=O)CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC001167377476 1383615244 /nfs/dbraw/zinc/61/52/44/1383615244.db2.gz RPYIEPJQDAKNCM-UHFFFAOYSA-N 2 0 332.488 3.446 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001167385649 1383619198 /nfs/dbraw/zinc/61/91/98/1383619198.db2.gz MGRAQHXUXYMJBT-CTWPCTMYSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460519 1383639262 /nfs/dbraw/zinc/63/92/62/1383639262.db2.gz FLQVKHYWYQAZHD-QGZVFWFLSA-N 2 0 345.531 3.284 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466116 1383640475 /nfs/dbraw/zinc/64/04/75/1383640475.db2.gz BWIQQPVDDAQHGU-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[C@]1(C)CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167509432 1383654862 /nfs/dbraw/zinc/65/48/62/1383654862.db2.gz NCOYDBIFPVFUMG-PZJWPPBQSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001167636624 1383695024 /nfs/dbraw/zinc/69/50/24/1383695024.db2.gz WFXXBCKGUJUHDI-VQTJNVASSA-N 2 0 345.531 3.497 20 0 EGADRP [NH3+]Cc1nn(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c2ccccc12 ZINC001167697587 1383714486 /nfs/dbraw/zinc/71/44/86/1383714486.db2.gz HPPFXJUYNCJYIR-UHFFFAOYSA-N 2 0 330.435 3.132 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC(C)(C)[NH+](Cc2ccccc2)CC1(C)C ZINC001301494742 1383717869 /nfs/dbraw/zinc/71/78/69/1383717869.db2.gz VXMPYDUEFWNQDK-UHFFFAOYSA-N 2 0 345.531 3.230 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001301660862 1383724764 /nfs/dbraw/zinc/72/47/64/1383724764.db2.gz HLGAFBJXZCHZKR-MSOLQXFVSA-N 2 0 349.906 3.077 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(CCc2cccs2)CC1 ZINC001167827154 1383751168 /nfs/dbraw/zinc/75/11/68/1383751168.db2.gz UBCAVUOSYSRHML-SFHVURJKSA-N 2 0 337.577 3.419 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cc(OC)ccn2)C1 ZINC001167833658 1383753171 /nfs/dbraw/zinc/75/31/71/1383753171.db2.gz CXPNKCWYWCQSLM-AEFFLSMTSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001167838477 1383755609 /nfs/dbraw/zinc/75/56/09/1383755609.db2.gz VEKVLTYVHHOBJU-SFHVURJKSA-N 3 0 339.568 3.072 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)OC(=O)c1ccncc12 ZINC001167840124 1383755714 /nfs/dbraw/zinc/75/57/14/1383755714.db2.gz DYOGXIAXXOHSAT-INIZCTEOSA-N 2 0 345.487 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)n1nc(C(F)(F)F)c2c1C[NH2+]CC2 ZINC001167841847 1383756537 /nfs/dbraw/zinc/75/65/37/1383756537.db2.gz SIZAANJBTQCSSY-GFCCVEGCSA-N 2 0 332.414 3.231 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001167841111 1383756926 /nfs/dbraw/zinc/75/69/26/1383756926.db2.gz KEAJDSQNABYEHZ-VQIMIIECSA-N 2 0 332.488 3.269 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1c(C(F)(F)F)cccc1C(F)(F)F ZINC001167879511 1383764498 /nfs/dbraw/zinc/76/44/98/1383764498.db2.gz VZQZPLJSJFLVDO-UHFFFAOYSA-N 2 0 342.287 3.399 20 0 EGADRP c1cncc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167995410 1383792073 /nfs/dbraw/zinc/79/20/73/1383792073.db2.gz FDVDDICRCDRQHA-VHRCFOOQSA-N 2 0 341.499 3.330 20 0 EGADRP c1cc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)ccn1 ZINC001168002471 1383792908 /nfs/dbraw/zinc/79/29/08/1383792908.db2.gz TXPAGABJBIYLOU-KXZRCVDZSA-N 2 0 341.499 3.330 20 0 EGADRP Cc1cnc(CC[NH3+])n1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010963 1383796015 /nfs/dbraw/zinc/79/60/15/1383796015.db2.gz LVGGWMAWFBKPTM-HGKCTWBKSA-N 2 0 326.488 3.307 20 0 EGADRP COC(=O)C(C)(C)C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168011514 1383796651 /nfs/dbraw/zinc/79/66/51/1383796651.db2.gz OZZYMZMCYPRWRW-HZPDHXFCSA-N 2 0 332.488 3.217 20 0 EGADRP C[C@H]1CC([NH2+]CCc2nncs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036843 1383800663 /nfs/dbraw/zinc/80/06/63/1383800663.db2.gz VXMNTDOSSLKKPQ-GJZGRUSLSA-N 2 0 330.501 3.112 20 0 EGADRP C[C@@H]1CC(N2CCC3(C[NH+](C)C3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054720 1383805632 /nfs/dbraw/zinc/80/56/32/1383805632.db2.gz AOMJIMXSIKBWFP-RTBURBONSA-N 2 0 341.543 3.456 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059466 1383807522 /nfs/dbraw/zinc/80/75/22/1383807522.db2.gz FQKPOYAOKJNQEM-LNLFQRSKSA-N 2 0 344.499 3.313 20 0 EGADRP COC(=O)[C@H]1C[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC001168068049 1383809350 /nfs/dbraw/zinc/80/93/50/1383809350.db2.gz XDKIPFJMQZDXIR-XLSPSMHOSA-N 2 0 344.499 3.169 20 0 EGADRP COc1ccc(CN2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168294954 1383865667 /nfs/dbraw/zinc/86/56/67/1383865667.db2.gz KKRRPNFWEJOTCJ-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP CC[C@@H](CC[NH2+]C1CCC([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC001168303996 1383868404 /nfs/dbraw/zinc/86/84/04/1383868404.db2.gz IYXFVUYOCQWQEN-FHERZECASA-N 2 0 327.513 3.142 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN(Cc3ccccc3Cl)C2)CC1 ZINC001168306050 1383868330 /nfs/dbraw/zinc/86/83/30/1383868330.db2.gz YSVVYQSATJUMSK-ADKAHSJRSA-N 2 0 335.923 3.377 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cn(Cc3cccc(F)c3)cn2)CC1 ZINC001168306175 1383868486 /nfs/dbraw/zinc/86/84/86/1383868486.db2.gz UYQUQZDLBYYBQA-UHFFFAOYSA-N 2 0 330.451 3.033 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001168315361 1383871848 /nfs/dbraw/zinc/87/18/48/1383871848.db2.gz VHGVMZZVRUBZMR-JCYILVPMSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315770 1383871898 /nfs/dbraw/zinc/87/18/98/1383871898.db2.gz OCEQVXPZQLAUBB-PBPGXSGUSA-N 2 0 333.495 3.205 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320634 1383872504 /nfs/dbraw/zinc/87/25/04/1383872504.db2.gz HTCPIODFFZNZHD-GOSISDBHSA-N 2 0 345.531 3.272 20 0 EGADRP COc1cccc(O[C@@H]2CCC[N@@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168323269 1383872524 /nfs/dbraw/zinc/87/25/24/1383872524.db2.gz XALJBVDGFPIQAR-LBXVMSDZSA-N 2 0 332.488 3.411 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168326813 1383873644 /nfs/dbraw/zinc/87/36/44/1383873644.db2.gz LYZFXRMJDZZRRG-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CCOC(=O)C[N@H+]([C@H](C)c1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168329410 1383874363 /nfs/dbraw/zinc/87/43/63/1383874363.db2.gz SJTVUJXQWFTMOF-IPJUCJBFSA-N 2 0 332.488 3.486 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001168344407 1383879466 /nfs/dbraw/zinc/87/94/66/1383879466.db2.gz BDFAFTQGDWJTCM-INIZCTEOSA-N 2 0 349.494 3.103 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168591415 1383943782 /nfs/dbraw/zinc/94/37/82/1383943782.db2.gz VKXJMOYJXQBETP-ICSRJNTNSA-N 2 0 332.488 3.237 20 0 EGADRP COc1ccc([C@H]2C[C@H]([N@H+](C)CC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168653030 1383959643 /nfs/dbraw/zinc/95/96/43/1383959643.db2.gz LENIVMYLPYYCEN-UYAOXDASSA-N 2 0 332.488 3.189 20 0 EGADRP Clc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001168704044 1383974586 /nfs/dbraw/zinc/97/45/86/1383974586.db2.gz DAAIWHAIIIZUSD-KRWDZBQOSA-N 2 0 348.918 3.288 20 0 EGADRP C[NH+](C)CC(C)(C)CNc1cc(Br)cc2c[nH+]cn21 ZINC001168769717 1383997727 /nfs/dbraw/zinc/99/77/27/1383997727.db2.gz XRGDKKZRWYNHLA-UHFFFAOYSA-N 2 0 325.254 3.097 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001168840588 1384029243 /nfs/dbraw/zinc/02/92/43/1384029243.db2.gz VFLAGCQVNMNIMS-QZWWFDLISA-N 2 0 339.524 3.093 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169081264 1384104234 /nfs/dbraw/zinc/10/42/34/1384104234.db2.gz PMZLEKCRXAWYCV-BPKGMFCQSA-N 2 0 337.508 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169092882 1384105874 /nfs/dbraw/zinc/10/58/74/1384105874.db2.gz DNUREHYZSKFPJM-MZADTFQBSA-N 3 0 327.516 3.113 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169099314 1384106695 /nfs/dbraw/zinc/10/66/95/1384106695.db2.gz PMZLEKCRXAWYCV-BQJWPVKWSA-N 2 0 337.508 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(c3ccc(Cl)cc3)CC1)C2 ZINC001169119581 1384109640 /nfs/dbraw/zinc/10/96/40/1384109640.db2.gz UYYPCHIGCYBVFR-BCDXTJNWSA-N 2 0 333.907 3.215 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129864 1384110986 /nfs/dbraw/zinc/11/09/86/1384110986.db2.gz LDAJMWWWSMYRGW-CLWJZODNSA-N 2 0 349.519 3.087 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)OCCc1ccccc13)C2 ZINC001169145502 1384114500 /nfs/dbraw/zinc/11/45/00/1384114500.db2.gz MSUIQQMTXXSMMV-REPLKXPHSA-N 2 0 326.484 3.176 20 0 EGADRP CC1(C)C[C@@H](Nc2ccccc2Cn2cc[nH+]c2N)C[C@@](C)(C[NH3+])C1 ZINC001169154857 1384116021 /nfs/dbraw/zinc/11/60/21/1384116021.db2.gz YYBGOTZQMKWQNY-OXQOHEQNSA-N 2 0 341.503 3.469 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cccc2c1CC[C@@H]2[NH3+] ZINC001169179885 1384119860 /nfs/dbraw/zinc/11/98/60/1384119860.db2.gz RTUSCVOOWTXNNW-IBGZPJMESA-N 2 0 335.451 3.395 20 0 EGADRP CC[NH+]1CCC(N2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001169261201 1384128725 /nfs/dbraw/zinc/12/87/25/1384128725.db2.gz CTOUQOLWBJIOQA-OAQYLSRUSA-N 2 0 327.516 3.211 20 0 EGADRP CCN1CCC([N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001169266611 1384129593 /nfs/dbraw/zinc/12/95/93/1384129593.db2.gz YLRCOSPKSJLSGV-UHFFFAOYSA-N 2 0 329.532 3.315 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCCCCCCCC[NH3+])CO1 ZINC001169350181 1384138822 /nfs/dbraw/zinc/13/88/22/1384138822.db2.gz SXOMJOAVLDFNMU-MSOLQXFVSA-N 2 0 342.524 3.156 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1C[C@H]1c1ccccc1 ZINC001308740816 1384146126 /nfs/dbraw/zinc/14/61/26/1384146126.db2.gz OMRQWTNVWPWEDR-HBMCJLEFSA-N 2 0 329.532 3.138 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCc3ccc(C[NH3+])nc32)nc1 ZINC001169590986 1384162938 /nfs/dbraw/zinc/16/29/38/1384162938.db2.gz SQWGUZORGQTJAB-GOSISDBHSA-N 2 0 337.471 3.176 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC001308966179 1384162998 /nfs/dbraw/zinc/16/29/98/1384162998.db2.gz OJYPZJPHUCTCJK-XJKSGUPXSA-N 2 0 337.305 3.484 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729987 1384179670 /nfs/dbraw/zinc/17/96/70/1384179670.db2.gz YBORXZNHBWYWCE-UYAOXDASSA-N 2 0 345.531 3.391 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809735 1384187782 /nfs/dbraw/zinc/18/77/82/1384187782.db2.gz JVOPMDPJJFQKML-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001169974402 1384208623 /nfs/dbraw/zinc/20/86/23/1384208623.db2.gz DURZAMCAVCSDHY-HOTGVXAUSA-N 2 0 325.541 3.355 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169981824 1384209725 /nfs/dbraw/zinc/20/97/25/1384209725.db2.gz ADUNJGIQRJYFNQ-UHFFFAOYSA-N 2 0 349.519 3.127 20 0 EGADRP CN(c1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1)C(C)(C)C[NH3+] ZINC001170059651 1384226973 /nfs/dbraw/zinc/22/69/73/1384226973.db2.gz QGSCNTFVJUZEHB-IBGZPJMESA-N 2 0 340.515 3.339 20 0 EGADRP C/C=C(\NC=[NH2+])N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001170086240 1384233619 /nfs/dbraw/zinc/23/36/19/1384233619.db2.gz FWDSWNGYZOKWKU-QFOIDUMCSA-N 2 0 347.466 3.465 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001170092460 1384235158 /nfs/dbraw/zinc/23/51/58/1384235158.db2.gz OJRBYSVGRXXUPT-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001170412369 1384311697 /nfs/dbraw/zinc/31/16/97/1384311697.db2.gz QAEXAVHNPMSAMK-GOSISDBHSA-N 2 0 332.488 3.448 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001170431238 1384317289 /nfs/dbraw/zinc/31/72/89/1384317289.db2.gz IOLZPPGHMHUBMC-IIIMJFFVSA-N 2 0 332.488 3.446 20 0 EGADRP CCCCCC[C@H](CC)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001170598407 1384347437 /nfs/dbraw/zinc/34/74/37/1384347437.db2.gz HVOTYRDBFVJINT-SFHVURJKSA-N 2 0 348.535 3.260 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170716586 1384372719 /nfs/dbraw/zinc/37/27/19/1384372719.db2.gz QMCQTHFOPORDNY-KRWDZBQOSA-N 2 0 343.421 3.348 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001170783891 1384384528 /nfs/dbraw/zinc/38/45/28/1384384528.db2.gz AQYCMCKVULMOPE-HXUWFJFHSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170858180 1384400405 /nfs/dbraw/zinc/40/04/05/1384400405.db2.gz RTKZWLVKXGNLNQ-AWEZNQCLSA-N 2 0 325.294 3.412 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2nc(-c3ccc(Cl)cc3)cn2c1 ZINC001170899661 1384407926 /nfs/dbraw/zinc/40/79/26/1384407926.db2.gz DFQXJBZRYMNEDT-MRXNPFEDSA-N 2 0 329.835 3.090 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910674 1384409553 /nfs/dbraw/zinc/40/95/53/1384409553.db2.gz MPESMCULUWJPMO-BZUAXINKSA-N 2 0 334.891 3.168 20 0 EGADRP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170971396 1384420981 /nfs/dbraw/zinc/42/09/81/1384420981.db2.gz NBMPHIUXKAQQKA-SFHVURJKSA-N 2 0 339.458 3.114 20 0 EGADRP Fc1cccc2c1C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001170972862 1384421165 /nfs/dbraw/zinc/42/11/65/1384421165.db2.gz RQUUOPVLEABFPF-QGZVFWFLSA-N 2 0 325.431 3.337 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cnc(C[NH3+])nc3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001171029696 1384432965 /nfs/dbraw/zinc/43/29/65/1384432965.db2.gz JFOYWWZRFAKFBW-GJWPJNNNSA-N 2 0 345.535 3.306 20 0 EGADRP Clc1cccc2c1CC[C@@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001171033618 1384433555 /nfs/dbraw/zinc/43/35/55/1384433555.db2.gz ORFDUXSXVRCWNP-QGZVFWFLSA-N 2 0 327.859 3.415 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171069250 1384440853 /nfs/dbraw/zinc/44/08/53/1384440853.db2.gz MSIODVUJZFGTPQ-AWEZNQCLSA-N 2 0 325.522 3.098 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171120520 1384449880 /nfs/dbraw/zinc/44/98/80/1384449880.db2.gz NRHPFZCZEMMCEW-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC001171173625 1384460659 /nfs/dbraw/zinc/46/06/59/1384460659.db2.gz CUQFNCYUOYJBTH-PMACEKPBSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001316602039 1384469080 /nfs/dbraw/zinc/46/90/80/1384469080.db2.gz GFXQHFGLFKZRQT-ROUUACIJSA-N 2 0 339.568 3.179 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235134 1384475997 /nfs/dbraw/zinc/47/59/97/1384475997.db2.gz FHFBQIPYGXVKEO-KRWDZBQOSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246024 1384477584 /nfs/dbraw/zinc/47/75/84/1384477584.db2.gz DIPAIGRRAQWKQO-AEFFLSMTSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246925 1384477758 /nfs/dbraw/zinc/47/77/58/1384477758.db2.gz IMIMJEDNOHMDRW-APWZRJJASA-N 2 0 337.552 3.172 20 0 EGADRP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001171287195 1384486105 /nfs/dbraw/zinc/48/61/05/1384486105.db2.gz CVLMKHGWTJNZCX-XQLPTFJDSA-N 2 0 334.891 3.421 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001171322216 1384494585 /nfs/dbraw/zinc/49/45/85/1384494585.db2.gz WTOJXTBIQPSIPT-OAHLLOKOSA-N 2 0 335.455 3.254 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001171358100 1384500804 /nfs/dbraw/zinc/50/08/04/1384500804.db2.gz ASMXJQLXMXEKDE-AEFFLSMTSA-N 2 0 339.568 3.273 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509399 1384546228 /nfs/dbraw/zinc/54/62/28/1384546228.db2.gz OXVWHYZMIYAPDK-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001171509438 1384546308 /nfs/dbraw/zinc/54/63/08/1384546308.db2.gz QGJQORKTTODPTJ-AZUAARDMSA-N 2 0 347.547 3.408 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171513428 1384548054 /nfs/dbraw/zinc/54/80/54/1384548054.db2.gz VNMOCJWHXRCMIZ-ROKHWSDSSA-N 2 0 326.406 3.424 20 0 EGADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171593654 1384573815 /nfs/dbraw/zinc/57/38/15/1384573815.db2.gz QARSPOIADKIDMC-OAGGEKHMSA-N 2 0 341.540 3.327 20 0 EGADRP CN(CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171613457 1384580460 /nfs/dbraw/zinc/58/04/60/1384580460.db2.gz KMPWXJLNOYWKCE-UHFFFAOYSA-N 2 0 341.540 3.484 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)Cc2cccc(Cl)c2)CC1(C)C ZINC001171623548 1384582763 /nfs/dbraw/zinc/58/27/63/1384582763.db2.gz BTFJWJYVEMONAX-INIZCTEOSA-N 2 0 338.923 3.484 20 0 EGADRP C[NH+]1C(C)(C)CC(n2cc(C[C@H]([NH3+])CO)c3ccccc32)CC1(C)C ZINC001171622271 1384583399 /nfs/dbraw/zinc/58/33/99/1384583399.db2.gz YVPODSFIMKFBDM-INIZCTEOSA-N 2 0 343.515 3.327 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C/C=C/CNC(=O)OC(C)(C)C)CC1(C)C ZINC001171625630 1384584318 /nfs/dbraw/zinc/58/43/18/1384584318.db2.gz MBZUCDZAYDQJGI-MDZDMXLPSA-N 2 0 339.524 3.308 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC2(c3cccnc3)CCOCC2)CC1(C)C ZINC001171631043 1384586202 /nfs/dbraw/zinc/58/62/02/1384586202.db2.gz VEKWGSYWQNVIHR-UHFFFAOYSA-N 2 0 345.531 3.371 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@]1(O)C(F)(F)F ZINC001171632070 1384586423 /nfs/dbraw/zinc/58/64/23/1384586423.db2.gz UUHMRTFFANWCBI-MLGOLLRUSA-N 2 0 336.442 3.273 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC1(C)C ZINC001171631895 1384586594 /nfs/dbraw/zinc/58/65/94/1384586594.db2.gz PCXULPTXMVUXJA-SJORKVTESA-N 2 0 341.499 3.306 20 0 EGADRP CC(=O)N1CCCC[C@]12CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637384 1384588235 /nfs/dbraw/zinc/58/82/35/1384588235.db2.gz LUGJVSNWFUZZEP-HXUWFJFHSA-N 2 0 335.536 3.115 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CC(N3CCC(F)(F)CC3)C2)CC1(C)C ZINC001171639293 1384588524 /nfs/dbraw/zinc/58/85/24/1384588524.db2.gz DIFAPXXKFFWOCF-UHFFFAOYSA-N 2 0 329.479 3.053 20 0 EGADRP COc1cc(O[C@H]2CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)ccn1 ZINC001171641703 1384589756 /nfs/dbraw/zinc/58/97/56/1384589756.db2.gz UHTMLKKVYAGQCR-KRWDZBQOSA-N 2 0 347.503 3.195 20 0 EGADRP Cc1cccc(O[C@H]2CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640809 1384590025 /nfs/dbraw/zinc/59/00/25/1384590025.db2.gz JNDHEOOPKYNEIH-KRWDZBQOSA-N 2 0 331.504 3.495 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683647 1384601516 /nfs/dbraw/zinc/60/15/16/1384601516.db2.gz OJKMWXCIRBZURJ-MRXNPFEDSA-N 2 0 328.460 3.179 20 0 EGADRP CC(C)[PH+](CC[NH2+][C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)C(C)C ZINC001171699696 1384606674 /nfs/dbraw/zinc/60/66/74/1384606674.db2.gz VJNCYJWKUQTDGA-AWEZNQCLSA-N 2 0 344.436 3.411 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001171724987 1384614738 /nfs/dbraw/zinc/61/47/38/1384614738.db2.gz BPFMNFKCNBUGMI-HNNXBMFYSA-N 2 0 339.911 3.229 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC001171732455 1384617901 /nfs/dbraw/zinc/61/79/01/1384617901.db2.gz AMNKMVANACGVQO-GHTZIAJQSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1C[C@@H](N(CC[NH3+])c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171739214 1384621158 /nfs/dbraw/zinc/62/11/58/1384621158.db2.gz PLLASLHDHLPAOO-OXQOHEQNSA-N 2 0 327.447 3.254 20 0 EGADRP C[C@@H]1C[C@@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C[N@@H+]1Cc1ccccc1 ZINC001171747545 1384624523 /nfs/dbraw/zinc/62/45/23/1384624523.db2.gz BPJQLHVFCYYCAH-WIYYLYMNSA-N 2 0 339.527 3.067 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001171763296 1384628819 /nfs/dbraw/zinc/62/88/19/1384628819.db2.gz YBRQSZUFIACWEH-UHFFFAOYSA-N 2 0 341.499 3.086 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001171762981 1384628867 /nfs/dbraw/zinc/62/88/67/1384628867.db2.gz OXYPTZVQAYJANV-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP CC[NH+](CC)C1CCN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171765814 1384629552 /nfs/dbraw/zinc/62/95/52/1384629552.db2.gz ZOMBYNNPJNZVQW-GHTZIAJQSA-N 2 0 329.532 3.456 20 0 EGADRP C[NH+](C)Cc1ccc(CSCC[NH2+][C@@H]2Cc3cccc(F)c3C2)o1 ZINC001171768689 1384630003 /nfs/dbraw/zinc/63/00/03/1384630003.db2.gz JSTGGOBGZLBGDP-OAHLLOKOSA-N 2 0 348.487 3.471 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171864190 1384664238 /nfs/dbraw/zinc/66/42/38/1384664238.db2.gz NSNYKASAZGNAQL-IBGZPJMESA-N 2 0 331.504 3.003 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171868575 1384666087 /nfs/dbraw/zinc/66/60/87/1384666087.db2.gz DAEHKUVKKBQZOX-HXUWFJFHSA-N 2 0 343.515 3.003 20 0 EGADRP [NH3+]CCCCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877334 1384668303 /nfs/dbraw/zinc/66/83/03/1384668303.db2.gz NERMXARZJDGKAQ-LJQANCHMSA-N 2 0 331.504 3.180 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171924243 1384683996 /nfs/dbraw/zinc/68/39/96/1384683996.db2.gz MQMMDQDCOJNZBV-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP CC(=O)NCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974524 1384701075 /nfs/dbraw/zinc/70/10/75/1384701075.db2.gz HLVVMGSTHIFMMO-HXUWFJFHSA-N 2 0 345.531 3.326 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977707 1384701589 /nfs/dbraw/zinc/70/15/89/1384701589.db2.gz UBWCGEMFHSZJPH-RTBURBONSA-N 2 0 344.499 3.315 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCc2nncs2)CC[N@@H+]1Cc1ccccc1 ZINC001171978558 1384702679 /nfs/dbraw/zinc/70/26/79/1384702679.db2.gz HTDJWFKFHWDQIV-MRXNPFEDSA-N 2 0 330.501 3.113 20 0 EGADRP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068357 1384716518 /nfs/dbraw/zinc/71/65/18/1384716518.db2.gz KDUNYFIKFBKNPA-FCMAGTKHSA-N 2 0 328.500 3.323 20 0 EGADRP CC1(C)OC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC001172074055 1384720676 /nfs/dbraw/zinc/72/06/76/1384720676.db2.gz TVQPEGNMIYPCSY-YSTOQKLRSA-N 2 0 344.499 3.313 20 0 EGADRP CC1(C)OC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC001172074054 1384720897 /nfs/dbraw/zinc/72/08/97/1384720897.db2.gz TVQPEGNMIYPCSY-IYWMVGAKSA-N 2 0 344.499 3.313 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172099470 1384727061 /nfs/dbraw/zinc/72/70/61/1384727061.db2.gz IEUKALVAAIGJBW-WKCHPHFGSA-N 2 0 327.516 3.256 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110678 1384729004 /nfs/dbraw/zinc/72/90/04/1384729004.db2.gz LLUAMPTUJWFHNS-YCEIQTCASA-N 2 0 328.504 3.173 20 0 EGADRP Cc1ccnc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)c1 ZINC001172109583 1384729537 /nfs/dbraw/zinc/72/95/37/1384729537.db2.gz FJFNJYQCQXHINF-REPLKXPHSA-N 2 0 343.515 3.043 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172113572 1384731442 /nfs/dbraw/zinc/73/14/42/1384731442.db2.gz KMWUYYYXDKJPTP-ZIBCJSCZSA-N 2 0 331.548 3.412 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124943 1384733863 /nfs/dbraw/zinc/73/38/63/1384733863.db2.gz NCTIWWPYVROBMY-AYWYSENESA-N 2 0 327.516 3.208 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122741 1384735036 /nfs/dbraw/zinc/73/50/36/1384735036.db2.gz UAILMEHCEXHWRC-YVSFHVDLSA-N 2 0 336.426 3.433 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124946 1384735080 /nfs/dbraw/zinc/73/50/80/1384735080.db2.gz NCTIWWPYVROBMY-MJUUVYJYSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001172127591 1384735357 /nfs/dbraw/zinc/73/53/57/1384735357.db2.gz JOPULIMOXMAXGE-WJMWBRGCSA-N 2 0 327.516 3.208 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)COc2cc(C)cc(C)c2)CC1 ZINC001172243383 1384755220 /nfs/dbraw/zinc/75/52/20/1384755220.db2.gz HZEWSJYVGKOTQZ-GOSISDBHSA-N 2 0 334.504 3.161 20 0 EGADRP CCCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001317005315 1384766359 /nfs/dbraw/zinc/76/63/59/1384766359.db2.gz HZMJJHJXYZLYDU-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172379914 1384781656 /nfs/dbraw/zinc/78/16/56/1384781656.db2.gz UHIZKGNUVRKQLQ-XGAGZNTDSA-N 2 0 334.548 3.491 20 0 EGADRP CCOCC[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001172417470 1384787765 /nfs/dbraw/zinc/78/77/65/1384787765.db2.gz OLEDSCDOUJLFLQ-QGZVFWFLSA-N 2 0 327.472 3.480 20 0 EGADRP CC(C)OCC[C@@H](C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172447003 1384794140 /nfs/dbraw/zinc/79/41/40/1384794140.db2.gz ORFIQYCTABADNC-SJORKVTESA-N 2 0 326.525 3.202 20 0 EGADRP C[NH+]1CCC(CN2CC[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172568026 1384812816 /nfs/dbraw/zinc/81/28/16/1384812816.db2.gz JQNAUFGPGLDSEN-FGZHOGPDSA-N 2 0 341.543 3.282 20 0 EGADRP CCCC[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172630012 1384822352 /nfs/dbraw/zinc/82/23/52/1384822352.db2.gz BTTZYGQXVKJFEK-LTIDMASMSA-N 2 0 339.524 3.414 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172632869 1384823558 /nfs/dbraw/zinc/82/35/58/1384823558.db2.gz KCJPAIWMGKQJDS-LPHOPBHVSA-N 2 0 336.520 3.447 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001172778498 1384849544 /nfs/dbraw/zinc/84/95/44/1384849544.db2.gz MQPOKSUZSLURTJ-MSOLQXFVSA-N 2 0 338.536 3.456 20 0 EGADRP C[NH+](C)CCCN(CCC[NH3+])C1CCC(Cc2ccccc2)CC1 ZINC001172819360 1384858427 /nfs/dbraw/zinc/85/84/27/1384858427.db2.gz GUOSCIYNYOQBND-UHFFFAOYSA-N 2 0 331.548 3.390 20 0 EGADRP COC1CC[NH+](C2CC[NH+]([C@@H]3CCc4ccc(C)cc4C3)CC2)CC1 ZINC001172836741 1384862416 /nfs/dbraw/zinc/86/24/16/1384862416.db2.gz CQBIYCCJDZOTNA-OAQYLSRUSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@H](Cc1c(F)cccc1Cl)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001172843984 1384864007 /nfs/dbraw/zinc/86/40/07/1384864007.db2.gz ZYZUREMQSRCIKH-MRVPVSSYSA-N 2 0 348.900 3.294 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCCCC[NH+]1CCCC1 ZINC001172950155 1384887944 /nfs/dbraw/zinc/88/79/44/1384887944.db2.gz MRXIJVBMQNFCGG-KRWDZBQOSA-N 2 0 341.540 3.488 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001172951964 1384888778 /nfs/dbraw/zinc/88/87/78/1384888778.db2.gz XTKWULMUDWJKKW-QQFBHYJXSA-N 2 0 327.513 3.094 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001172960694 1384890324 /nfs/dbraw/zinc/89/03/24/1384890324.db2.gz XTKWULMUDWJKKW-JYJNAYRXSA-N 2 0 327.513 3.094 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173054831 1384902514 /nfs/dbraw/zinc/90/25/14/1384902514.db2.gz PGUBAHJPCQQZCL-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP CCCOC1CCC([NH+]2CCC([N@H+](C)C3CCOCC3)CC2)CC1 ZINC001173100758 1384914622 /nfs/dbraw/zinc/91/46/22/1384914622.db2.gz SWZZMDRDGJPCQI-UHFFFAOYSA-N 2 0 338.536 3.299 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2(Cc3cccnc3)CCOCC2)CC1 ZINC001173106135 1384915425 /nfs/dbraw/zinc/91/54/25/1384915425.db2.gz JPSSPXCEYQOXKL-UHFFFAOYSA-N 2 0 345.531 3.416 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC001173105360 1384915611 /nfs/dbraw/zinc/91/56/11/1384915611.db2.gz RGGKLNSGXDYBJR-UHFFFAOYSA-N 2 0 339.524 3.285 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cn(Cc3ccncc3)cn2)CC1 ZINC001173107138 1384916286 /nfs/dbraw/zinc/91/62/86/1384916286.db2.gz WOHRAGDBWJKBNV-UHFFFAOYSA-N 2 0 341.503 3.069 20 0 EGADRP CCOC[C@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2c1cnn2C ZINC001173110968 1384917239 /nfs/dbraw/zinc/91/72/39/1384917239.db2.gz LTCFEJPQUPRUSR-WWDZGPRUSA-N 2 0 348.535 3.009 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2Cc3cnn(C4CCOCC4)c3C2)CC1 ZINC001173113434 1384917719 /nfs/dbraw/zinc/91/77/19/1384917719.db2.gz QECXBZGAPVGDTG-UHFFFAOYSA-N 2 0 346.519 3.203 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3cc(C)ccn3)CC2)CC1 ZINC001173114266 1384917789 /nfs/dbraw/zinc/91/77/89/1384917789.db2.gz DWKFPTKHPSKSJB-UHFFFAOYSA-N 2 0 330.520 3.165 20 0 EGADRP CC[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(OC(F)(F)F)ccc32)C1 ZINC001173355214 1384963588 /nfs/dbraw/zinc/96/35/88/1384963588.db2.gz NYCYNFWCKOASIQ-CYBMUJFWSA-N 2 0 341.377 3.308 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001317191110 1384965414 /nfs/dbraw/zinc/96/54/14/1384965414.db2.gz AOFFMUUYPHMTMC-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173410541 1384967808 /nfs/dbraw/zinc/96/78/08/1384967808.db2.gz JXPTWGSOQYBLKR-KRWDZBQOSA-N 2 0 349.906 3.019 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001173438209 1384970154 /nfs/dbraw/zinc/97/01/54/1384970154.db2.gz YWAJZYFRZNIHIQ-IEBWSBKVSA-N 2 0 332.488 3.220 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001173445578 1384972141 /nfs/dbraw/zinc/97/21/41/1384972141.db2.gz MHOIZTGSLWNYBX-KRWDZBQOSA-N 2 0 347.503 3.005 20 0 EGADRP C[NH+](C)Cc1ccc(CC[NH2+]C2Cc3cc(F)c(F)cc3C2)cc1 ZINC001173474376 1384976488 /nfs/dbraw/zinc/97/64/88/1384976488.db2.gz VFJFYXHEAJNQQT-UHFFFAOYSA-N 2 0 330.422 3.326 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1CCN(C(CC)CC)C1)CC2 ZINC001173605817 1384986253 /nfs/dbraw/zinc/98/62/53/1384986253.db2.gz GYYVMTJOKHGFSV-CAZWYBIWSA-N 2 0 336.520 3.351 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C)CC2 ZINC001173614320 1384988679 /nfs/dbraw/zinc/98/86/79/1384988679.db2.gz SUGIQIQWKKLVDT-GEONRVCZSA-N 2 0 336.520 3.207 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001317217235 1384996878 /nfs/dbraw/zinc/99/68/78/1384996878.db2.gz OHCAMNYQIDEEBV-AOCRQIFASA-N 2 0 337.552 3.170 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@@](C)(C[NH3+])C1 ZINC001173660636 1384998418 /nfs/dbraw/zinc/99/84/18/1384998418.db2.gz ZPLJVFXSLTXOQS-GOEBONIOSA-N 2 0 335.458 3.146 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001317221312 1385001989 /nfs/dbraw/zinc/00/19/89/1385001989.db2.gz FEFUDVVJYZRHBY-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H]1CC([N@H+](C)CCC[NH+](C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173679379 1385002355 /nfs/dbraw/zinc/00/23/55/1385002355.db2.gz HYJLHTIMCDDNOA-HUUCEWRRSA-N 2 0 327.513 3.046 20 0 EGADRP C[NH+](C)CCCN(CCC[NH3+])C1CCC2(CCc3ccccc32)CC1 ZINC001173688288 1385004384 /nfs/dbraw/zinc/00/43/84/1385004384.db2.gz ANHZAWMXOUAXBZ-UHFFFAOYSA-N 2 0 343.559 3.416 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001317306501 1385072924 /nfs/dbraw/zinc/07/29/24/1385072924.db2.gz ZIYWXQGFFOMTDU-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649990 1385130379 /nfs/dbraw/zinc/13/03/79/1385130379.db2.gz MQSFZWNMKXKGDM-LXPRWKDFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)C1 ZINC001174880771 1385164063 /nfs/dbraw/zinc/16/40/63/1385164063.db2.gz HEWBUMXLQALGEJ-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880385 1385164162 /nfs/dbraw/zinc/16/41/62/1385164162.db2.gz DJOFCTKAPNCCCS-WMZOPIPTSA-N 2 0 341.515 3.018 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174927373 1385171081 /nfs/dbraw/zinc/17/10/81/1385171081.db2.gz DJHKRXZRWNAREH-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001174947451 1385172735 /nfs/dbraw/zinc/17/27/35/1385172735.db2.gz BEKGGTUZMRYNDJ-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001174947480 1385172836 /nfs/dbraw/zinc/17/28/36/1385172836.db2.gz BQQVRJXSCUBTFS-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP C[C@@H](CCCC[NH2+][C@H]1CCCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001175047817 1385186053 /nfs/dbraw/zinc/18/60/53/1385186053.db2.gz CQJJZDBNSUPLAQ-PXNSSMCTSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)CC[NH+](C)C ZINC001175049229 1385186474 /nfs/dbraw/zinc/18/64/74/1385186474.db2.gz QLZVBAGUIQOFFY-KRWDZBQOSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175055226 1385187221 /nfs/dbraw/zinc/18/72/21/1385187221.db2.gz FYAYARPYHTVQCA-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1)[NH+](CC)CC ZINC001175217437 1385222897 /nfs/dbraw/zinc/22/28/97/1385222897.db2.gz GSPPZSFUAAUURB-FUHWJXTLSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1)[NH+](CC)CC ZINC001175218208 1385222995 /nfs/dbraw/zinc/22/29/95/1385222995.db2.gz NFYNHBSEPPZTCQ-AEFFLSMTSA-N 2 0 325.541 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175265112 1385234491 /nfs/dbraw/zinc/23/44/91/1385234491.db2.gz XIDAOOSRQCGIIT-KAGICYHLSA-N 2 0 337.552 3.339 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175297298 1385242289 /nfs/dbraw/zinc/24/22/89/1385242289.db2.gz SZIOPBBSZATPNW-IBGZPJMESA-N 2 0 347.547 3.082 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001175315524 1385250119 /nfs/dbraw/zinc/25/01/19/1385250119.db2.gz GGSALMOZIFWKGM-HKUYNNGSSA-N 2 0 333.520 3.100 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001175316146 1385250342 /nfs/dbraw/zinc/25/03/42/1385250342.db2.gz IWXBDFWZERFCSJ-MJGOQNOKSA-N 2 0 333.520 3.100 20 0 EGADRP COc1cccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC001175492177 1385309663 /nfs/dbraw/zinc/30/96/63/1385309663.db2.gz NBUVQOQNQIVPJL-HXUWFJFHSA-N 2 0 345.531 3.076 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175573592 1385336301 /nfs/dbraw/zinc/33/63/01/1385336301.db2.gz OZSKXRXPVLTUNM-RTBURBONSA-N 2 0 337.552 3.480 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317623115 1385357876 /nfs/dbraw/zinc/35/78/76/1385357876.db2.gz KVBAEUKQBBWBMD-SJLPKXTDSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176024520 1385464218 /nfs/dbraw/zinc/46/42/18/1385464218.db2.gz PEVATYLTQSLVDC-QZTJIDSGSA-N 2 0 327.557 3.275 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164640 1385500000 /nfs/dbraw/zinc/50/00/00/1385500000.db2.gz CTXVNVQQFVJXPM-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165217 1385500719 /nfs/dbraw/zinc/50/07/19/1385500719.db2.gz JKQNHZFPDNHIFD-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176183410 1385504334 /nfs/dbraw/zinc/50/43/34/1385504334.db2.gz BHVUCZZRHYWOJI-XBMUEBEBSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC001176293297 1385541292 /nfs/dbraw/zinc/54/12/92/1385541292.db2.gz IYBBXYISUCHZRB-UHFFFAOYSA-N 2 0 339.483 3.367 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176318390 1385550016 /nfs/dbraw/zinc/55/00/16/1385550016.db2.gz NEEWMOMVTJXKAE-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001317945086 1385580885 /nfs/dbraw/zinc/58/08/85/1385580885.db2.gz WOCKXFZPJOBODU-QYZOEREBSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C[NH+]1CCCC1 ZINC001176591625 1385634876 /nfs/dbraw/zinc/63/48/76/1385634876.db2.gz NBGPGYUVHPQEAX-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176738191 1385677248 /nfs/dbraw/zinc/67/72/48/1385677248.db2.gz PNOAZVONTRBZLA-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCF)[NH+]1CCCCC1 ZINC001176753795 1385683897 /nfs/dbraw/zinc/68/38/97/1385683897.db2.gz NDBCWJCATYJHDN-ZWKOTPCHSA-N 2 0 343.531 3.121 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001176758809 1385685506 /nfs/dbraw/zinc/68/55/06/1385685506.db2.gz FMLPEENYDYYSON-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]CCC1CCCCCC1 ZINC001176884555 1385731761 /nfs/dbraw/zinc/73/17/61/1385731761.db2.gz MZAMPKKCAOIYBS-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001318968051 1385902295 /nfs/dbraw/zinc/90/22/95/1385902295.db2.gz AGFYIWOOGQPYNT-KZNAEPCWSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001177317323 1385912335 /nfs/dbraw/zinc/91/23/35/1385912335.db2.gz UNGQFFBBLDXZRZ-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001177405471 1385945021 /nfs/dbraw/zinc/94/50/21/1385945021.db2.gz KRGRZLKHCGGSLL-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001177448606 1385959581 /nfs/dbraw/zinc/95/95/81/1385959581.db2.gz NUEIJDSKKVNCBC-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001177668866 1386019065 /nfs/dbraw/zinc/01/90/65/1386019065.db2.gz HOPDSZGCVIOAFW-GOSISDBHSA-N 2 0 334.467 3.217 20 0 EGADRP CC[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001178045635 1386115457 /nfs/dbraw/zinc/11/54/57/1386115457.db2.gz QLSYBJSEIGQTDA-PMACEKPBSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC001178171133 1386149152 /nfs/dbraw/zinc/14/91/52/1386149152.db2.gz PKEUBMFVEKJVTG-RTWAWAEBSA-N 2 0 330.516 3.353 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319525139 1386160662 /nfs/dbraw/zinc/16/06/62/1386160662.db2.gz KXLIUTONWOJOJT-QGZVFWFLSA-N 2 0 345.531 3.088 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178468842 1386227395 /nfs/dbraw/zinc/22/73/95/1386227395.db2.gz XEZNAJZAIBKOBR-HXUWFJFHSA-N 2 0 345.531 3.326 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178484613 1386231549 /nfs/dbraw/zinc/23/15/49/1386231549.db2.gz WWRDBEYZBZQJSR-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178522256 1386241141 /nfs/dbraw/zinc/24/11/41/1386241141.db2.gz JVYQNZMBZJITEC-SJLPKXTDSA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001178698328 1386281552 /nfs/dbraw/zinc/28/15/52/1386281552.db2.gz DASAUQFIZVQBFH-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178729443 1386291730 /nfs/dbraw/zinc/29/17/30/1386291730.db2.gz YDFNZLDZCMMLML-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001178815586 1386315025 /nfs/dbraw/zinc/31/50/25/1386315025.db2.gz FQRFVALVFVKZQD-IZLCOFNUSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC001178819922 1386317586 /nfs/dbraw/zinc/31/75/86/1386317586.db2.gz SFZDDABPIFXVRD-PKOBYXMFSA-N 2 0 333.520 3.354 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178826983 1386319165 /nfs/dbraw/zinc/31/91/65/1386319165.db2.gz BYFDKQUPLISGPI-FQEVSTJZSA-N 2 0 345.531 3.246 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178827358 1386319186 /nfs/dbraw/zinc/31/91/86/1386319186.db2.gz HEMLPQCVPQJBBL-IBGZPJMESA-N 2 0 335.536 3.237 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001178827144 1386319551 /nfs/dbraw/zinc/31/95/51/1386319551.db2.gz FFCPJFJVNGGWER-IBGZPJMESA-N 2 0 349.494 3.076 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001178832503 1386321561 /nfs/dbraw/zinc/32/15/61/1386321561.db2.gz HKMJEDPOFKKSSO-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178890025 1386339795 /nfs/dbraw/zinc/33/97/95/1386339795.db2.gz FOWVUAMZQHJLJI-TYTUHHLSSA-N 2 0 335.536 3.185 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCCCCC[NH2+]CCCF ZINC001178903181 1386343946 /nfs/dbraw/zinc/34/39/46/1386343946.db2.gz VICSTMWNXYRHBA-UHFFFAOYSA-N 2 0 343.531 3.265 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178920672 1386349298 /nfs/dbraw/zinc/34/92/98/1386349298.db2.gz DMMVUIZIMICRHE-ROUUACIJSA-N 2 0 343.531 3.121 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178925126 1386350717 /nfs/dbraw/zinc/35/07/17/1386350717.db2.gz CCFSENVVGVATAL-UHOSZYNNSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179025991 1386380125 /nfs/dbraw/zinc/38/01/25/1386380125.db2.gz FYYUYNCFVIHFMI-INIZCTEOSA-N 2 0 330.476 3.260 20 0 EGADRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001319918574 1386390881 /nfs/dbraw/zinc/39/08/81/1386390881.db2.gz QHXKTPIFAJIREX-MAUKXSAKSA-N 2 0 349.494 3.101 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001179134950 1386407889 /nfs/dbraw/zinc/40/78/89/1386407889.db2.gz YGANZUMEYBYXJK-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001319999840 1386445628 /nfs/dbraw/zinc/44/56/28/1386445628.db2.gz MDEBMUGBTLFQDL-QFBILLFUSA-N 2 0 349.494 3.150 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CCCC2CCC2)CC1 ZINC001179393132 1386474017 /nfs/dbraw/zinc/47/40/17/1386474017.db2.gz RBNXLABEZHQWKZ-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001179463695 1386487793 /nfs/dbraw/zinc/48/77/93/1386487793.db2.gz HNKWINCGPMCMHK-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1ccccc1F ZINC001179464187 1386488572 /nfs/dbraw/zinc/48/85/72/1386488572.db2.gz OMVSHFNNIQIYEF-INIZCTEOSA-N 2 0 337.483 3.105 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179587295 1386524097 /nfs/dbraw/zinc/52/40/97/1386524097.db2.gz YAJHMJFXQTUIPX-QGZVFWFLSA-N 2 0 325.541 3.031 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179589899 1386524795 /nfs/dbraw/zinc/52/47/95/1386524795.db2.gz DXFSUGLOZJKWPG-LJQANCHMSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179590709 1386525636 /nfs/dbraw/zinc/52/56/36/1386525636.db2.gz KZFUFVDEVPHVQK-PKOBYXMFSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CCc1ccc(C)cc1)[NH+](C)C ZINC001179609746 1386531166 /nfs/dbraw/zinc/53/11/66/1386531166.db2.gz ZRTMICPQJNBKFT-FQEVSTJZSA-N 2 0 347.547 3.144 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001179719700 1386564330 /nfs/dbraw/zinc/56/43/30/1386564330.db2.gz OSQFDRPCIRTUBC-JXFKEZNVSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179777359 1386582039 /nfs/dbraw/zinc/58/20/39/1386582039.db2.gz VFFOGWIZBWUZPG-HNNXBMFYSA-N 2 0 348.516 3.116 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)C(C)C ZINC001179843127 1386605223 /nfs/dbraw/zinc/60/52/23/1386605223.db2.gz VOSNKUSWRWSQSI-ROUUACIJSA-N 2 0 345.547 3.367 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CCCc1ccccc1 ZINC001179850800 1386607264 /nfs/dbraw/zinc/60/72/64/1386607264.db2.gz MFZCOLNABUTHLR-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179850413 1386607418 /nfs/dbraw/zinc/60/74/18/1386607418.db2.gz DIZBXIIDUVHHIF-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CC[NH2+]C[C@@]1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC[C@H]1C ZINC001698659016 1406309207 /nfs/dbraw/zinc/30/92/07/1406309207.db2.gz BQNZQDLXIKNGAK-UZLBHIALSA-N 2 0 331.504 3.036 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179979173 1386656533 /nfs/dbraw/zinc/65/65/33/1386656533.db2.gz SXBXTLUKMYPKPD-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001180095700 1386695627 /nfs/dbraw/zinc/69/56/27/1386695627.db2.gz MGPLZARMIBFWME-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001320709735 1386698374 /nfs/dbraw/zinc/69/83/74/1386698374.db2.gz XELKOWUZFYPCAV-ROUUACIJSA-N 2 0 332.488 3.076 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001180121009 1386702989 /nfs/dbraw/zinc/70/29/89/1386702989.db2.gz GIORPSRSWMJSQP-UHFFFAOYSA-N 2 0 339.549 3.246 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001180124518 1386704755 /nfs/dbraw/zinc/70/47/55/1386704755.db2.gz YUSIHCYMDHHTDL-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001180264822 1386749960 /nfs/dbraw/zinc/74/99/60/1386749960.db2.gz LJVWOZNCFBMCSG-QUCCMNQESA-N 2 0 345.531 3.274 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001180369517 1386776117 /nfs/dbraw/zinc/77/61/17/1386776117.db2.gz JVQGRDRTVGOMEW-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180372850 1386777934 /nfs/dbraw/zinc/77/79/34/1386777934.db2.gz IRKNQXSMVXXLMQ-IBGZPJMESA-N 2 0 337.552 3.339 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)cn1 ZINC001321028311 1386787951 /nfs/dbraw/zinc/78/79/51/1386787951.db2.gz AAGKKRRLAUXCMG-LJQANCHMSA-N 2 0 338.499 3.395 20 0 EGADRP Cc1ccc(C(C)(C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001180605054 1386847412 /nfs/dbraw/zinc/84/74/12/1386847412.db2.gz KEYAMMRGSSMQFM-UHFFFAOYSA-N 2 0 347.547 3.005 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCCCC1 ZINC001180898949 1386893680 /nfs/dbraw/zinc/89/36/80/1386893680.db2.gz HLSOIZQQTMVYED-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCC1=CCCCC1 ZINC001180898928 1386894038 /nfs/dbraw/zinc/89/40/38/1386894038.db2.gz GVSJDMCQAIPDDE-YFVAEKQCSA-N 2 0 347.547 3.045 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321513687 1386920679 /nfs/dbraw/zinc/92/06/79/1386920679.db2.gz FBRCNIQCSQPMEB-QGZVFWFLSA-N 2 0 345.531 3.108 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001181884248 1387070686 /nfs/dbraw/zinc/07/06/86/1387070686.db2.gz DUAOKCPFUZKOFT-YFVAEKQCSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)C3(C)CC[NH+](C)CC3)CC2)CC1 ZINC001181984740 1387087290 /nfs/dbraw/zinc/08/72/90/1387087290.db2.gz MLDBLCUVTDYIBJ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182410631 1387162744 /nfs/dbraw/zinc/16/27/44/1387162744.db2.gz NEBTVJSXXMAWMY-QWFCFKBJSA-N 2 0 339.568 3.085 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001182924071 1387247306 /nfs/dbraw/zinc/24/73/06/1387247306.db2.gz DTNFTHGEPHPDBV-FKDVYQRFSA-N 2 0 337.552 3.149 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)CC1 ZINC001336707604 1389141857 /nfs/dbraw/zinc/14/18/57/1389141857.db2.gz QGTGHXRWGAKXDS-UHFFFAOYSA-N 2 0 329.419 3.444 20 0 EGADRP [NH3+][C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC001329565135 1389158884 /nfs/dbraw/zinc/15/88/84/1389158884.db2.gz VLOLRKFCHAHRTG-IBGZPJMESA-N 2 0 335.536 3.055 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]([NH3+])C3CCCCC3)cc21 ZINC001329567876 1389159781 /nfs/dbraw/zinc/15/97/81/1389159781.db2.gz CSKFBUKYFPOSLI-LJQANCHMSA-N 2 0 342.487 3.049 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@H+](C)C/C=C/Cl)CC2)cc1 ZINC001331059164 1389615328 /nfs/dbraw/zinc/61/53/28/1389615328.db2.gz JYLHZUMFFLHHJF-NYYWCZLTSA-N 2 0 349.906 3.037 20 0 EGADRP Clc1ccc(-n2cc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001332358191 1390095912 /nfs/dbraw/zinc/09/59/12/1390095912.db2.gz GGMBURNHDQZZOA-UHFFFAOYSA-N 2 0 344.890 3.491 20 0 EGADRP Clc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332396865 1390105292 /nfs/dbraw/zinc/10/52/92/1390105292.db2.gz RJVACJGQQIYUDK-KBXCAEBGSA-N 2 0 334.891 3.466 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001332885853 1390209386 /nfs/dbraw/zinc/20/93/86/1390209386.db2.gz SBOMXYFYTOMEBD-GOSISDBHSA-N 2 0 347.503 3.219 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CCCCC2CC[NH2+]CC2)C1 ZINC001340173966 1390242237 /nfs/dbraw/zinc/24/22/37/1390242237.db2.gz VXGYCKJOFFDFEO-GOSISDBHSA-N 2 0 337.552 3.175 20 0 EGADRP [NH3+]C1(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)Cc2ccccc2C1 ZINC001333749932 1390392596 /nfs/dbraw/zinc/39/25/96/1390392596.db2.gz KGHPICTVGYOHAG-UHFFFAOYSA-N 2 0 349.478 3.107 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]2C1 ZINC001334358011 1390524037 /nfs/dbraw/zinc/52/40/37/1390524037.db2.gz WEJBFPSRPILIDS-GRDNDAEWSA-N 2 0 332.879 3.150 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]2C1 ZINC001334358008 1390524280 /nfs/dbraw/zinc/52/42/80/1390524280.db2.gz WEJBFPSRPILIDS-CKEIUWERSA-N 2 0 332.879 3.150 20 0 EGADRP C[NH+](C)C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC001342281214 1390595292 /nfs/dbraw/zinc/59/52/92/1390595292.db2.gz PCBYOYIXJBQPET-RBUKOAKNSA-N 2 0 343.446 3.025 20 0 EGADRP Cc1cc(N)nc(NCc2ccccc2C[N@H+](C)Cc2ccco2)[nH+]1 ZINC001334933932 1390623471 /nfs/dbraw/zinc/62/34/71/1390623471.db2.gz AQANSRGHROYBGQ-UHFFFAOYSA-N 2 0 337.427 3.204 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001335582545 1390706128 /nfs/dbraw/zinc/70/61/28/1390706128.db2.gz MAUAGWJFRZQCQX-OFQRWUPVSA-N 2 0 346.906 3.389 20 0 EGADRP Cc1c(C(=O)OC[C@H]2CCC[N@@H+]2Cc2ccco2)ccc2c[nH+]cn21 ZINC001343351940 1390708796 /nfs/dbraw/zinc/70/87/96/1390708796.db2.gz SNVYXCLOMKSPQR-MRXNPFEDSA-N 2 0 339.395 3.057 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001345041618 1390832639 /nfs/dbraw/zinc/83/26/39/1390832639.db2.gz BDDYMLFDELLZJY-PMACEKPBSA-N 2 0 343.515 3.275 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)s2)cn1 ZINC001345955117 1390897134 /nfs/dbraw/zinc/89/71/34/1390897134.db2.gz BRXRUNJOMHCEQV-UHFFFAOYSA-N 2 0 330.501 3.114 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)c1cc3ccccc3o1)CC2 ZINC001349678183 1391352463 /nfs/dbraw/zinc/35/24/63/1391352463.db2.gz YRZHMKCZBIHIAK-QGZVFWFLSA-N 2 0 328.456 3.274 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)c1ccccc1C ZINC001488685514 1391701880 /nfs/dbraw/zinc/70/18/80/1391701880.db2.gz KTLAYRLNJNQNEE-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001351998328 1391741575 /nfs/dbraw/zinc/74/15/75/1391741575.db2.gz RGCCGYQBDKNEQK-INIZCTEOSA-N 2 0 341.421 3.216 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001479338080 1392218746 /nfs/dbraw/zinc/21/87/46/1392218746.db2.gz IRYBAWMEDSXDFF-CEXWTWQISA-N 2 0 337.552 3.027 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCCC1)C1CC1 ZINC001480039845 1392546020 /nfs/dbraw/zinc/54/60/20/1392546020.db2.gz IAIDDHGJNUIGGO-UXHICEINSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001480295272 1392663930 /nfs/dbraw/zinc/66/39/30/1392663930.db2.gz YZVZQUSDGNDTCC-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CCc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001480733228 1392897288 /nfs/dbraw/zinc/89/72/88/1392897288.db2.gz KEVXKGHXSWYMQD-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)Cc1ccc(C)cc1 ZINC001480985448 1393068135 /nfs/dbraw/zinc/06/81/35/1393068135.db2.gz MVUVVJCIZKHZOL-FQEVSTJZSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@@H+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001481019528 1393096179 /nfs/dbraw/zinc/09/61/79/1393096179.db2.gz WFELMLDXFGTCEZ-KTZABMDBSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)c1ccc(F)cc1 ZINC001481319731 1393163047 /nfs/dbraw/zinc/16/30/47/1393163047.db2.gz LXMZJISJUAWDFQ-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP CCc1ccc(C[NH+]2CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC2)cc1 ZINC001490421613 1394223058 /nfs/dbraw/zinc/22/30/58/1394223058.db2.gz JTZBKPYIFOCBRI-FQEVSTJZSA-N 2 0 345.531 3.012 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001481424062 1394280703 /nfs/dbraw/zinc/28/07/03/1394280703.db2.gz NGYYRKGQLLSSDE-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001490761887 1394323372 /nfs/dbraw/zinc/32/33/72/1394323372.db2.gz FBGPJPKVTJXOOP-QGZVFWFLSA-N 2 0 342.487 3.227 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001481510292 1394358295 /nfs/dbraw/zinc/35/82/95/1394358295.db2.gz YUTPUZRJGULTEF-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001491258244 1394494123 /nfs/dbraw/zinc/49/41/23/1394494123.db2.gz PXSRPCOFCJKTOU-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001491258191 1394494210 /nfs/dbraw/zinc/49/42/10/1394494210.db2.gz MXWKMKPKVIEEDT-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482283268 1394864849 /nfs/dbraw/zinc/86/48/49/1394864849.db2.gz DQGHVVGBPSTPKE-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001482433136 1394993982 /nfs/dbraw/zinc/99/39/82/1394993982.db2.gz JDESKHIKYMNGHO-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001482497136 1395048884 /nfs/dbraw/zinc/04/88/84/1395048884.db2.gz BSDQPSLIJIYBLN-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001484158638 1395293149 /nfs/dbraw/zinc/29/31/49/1395293149.db2.gz GCUUDPDUIJHFMD-OAQYLSRUSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001484770583 1395529986 /nfs/dbraw/zinc/52/99/86/1395529986.db2.gz GZZAUYGEOMZYKP-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C\c2ccccc2)[C@H](C)C1 ZINC001484982963 1395623766 /nfs/dbraw/zinc/62/37/66/1395623766.db2.gz USJRQWZREIYUAC-NCJCTJFTSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001485311468 1395789309 /nfs/dbraw/zinc/78/93/09/1395789309.db2.gz AAFNQLKSBNHUJN-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001485480784 1395962784 /nfs/dbraw/zinc/96/27/84/1395962784.db2.gz XYOJSYAIIKMVEP-MOPGFXCFSA-N 2 0 339.568 3.370 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001485939245 1396170899 /nfs/dbraw/zinc/17/08/99/1396170899.db2.gz XYHSUMUHPJUPSU-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC001494862216 1396501708 /nfs/dbraw/zinc/50/17/08/1396501708.db2.gz DHSRMROXGKJLOD-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001699008412 1406833977 /nfs/dbraw/zinc/83/39/77/1406833977.db2.gz IVOZULYAMQBNQA-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497798029 1396853985 /nfs/dbraw/zinc/85/39/85/1396853985.db2.gz QBPYCWRSIUGHSH-OXQOHEQNSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001690176678 1404374516 /nfs/dbraw/zinc/37/45/16/1404374516.db2.gz XDJXAQZEYFBMQH-RTBURBONSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001690540684 1404626945 /nfs/dbraw/zinc/62/69/45/1404626945.db2.gz XSCWJLKWSOMHNL-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCCCCC1 ZINC001690575593 1404637603 /nfs/dbraw/zinc/63/76/03/1404637603.db2.gz WUMYHWQQPRSWQV-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001725176262 1425692418 /nfs/dbraw/zinc/69/24/18/1425692418.db2.gz YUVJYEVKMPAQJF-HZPDHXFCSA-N 2 0 344.503 3.375 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691153144 1405086178 /nfs/dbraw/zinc/08/61/78/1405086178.db2.gz MCIJIFTYDKKBBE-QAQDUYKDSA-N 2 0 342.487 3.177 20 0 EGADRP CN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691477193 1405293291 /nfs/dbraw/zinc/29/32/91/1405293291.db2.gz ZVLQSNDGEWRCSM-LJQANCHMSA-N 2 0 345.531 3.090 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001691678547 1405413089 /nfs/dbraw/zinc/41/30/89/1405413089.db2.gz NQARZGKRHGVNCY-ROUUACIJSA-N 2 0 345.531 3.306 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001692112098 1405776420 /nfs/dbraw/zinc/77/64/20/1405776420.db2.gz NEIRGIGIGVCKKY-ZRHASKPBSA-N 2 0 335.536 3.189 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001698575180 1406182803 /nfs/dbraw/zinc/18/28/03/1406182803.db2.gz SAACOOFHVPDMLF-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001698599625 1406224878 /nfs/dbraw/zinc/22/48/78/1406224878.db2.gz GATYWKHWWDMVRK-ROUUACIJSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001732019903 1428236961 /nfs/dbraw/zinc/23/69/61/1428236961.db2.gz MVKGENINLGSDPZ-SFHVURJKSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001732027841 1428246743 /nfs/dbraw/zinc/24/67/43/1428246743.db2.gz ZOWRXKMLQUUBPI-FQEVSTJZSA-N 2 0 339.483 3.219 20 0 EGADRP C[NH+](CCC(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1)C1CCCCC1 ZINC001732075198 1428326502 /nfs/dbraw/zinc/32/65/02/1428326502.db2.gz DLQYTQWHPDOMEY-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001732101464 1428361510 /nfs/dbraw/zinc/36/15/10/1428361510.db2.gz NPELJNABSFLWRR-ZWKOTPCHSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001732186270 1428435506 /nfs/dbraw/zinc/43/55/06/1428435506.db2.gz RSBSJXIFJVBUCO-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001732291430 1428516683 /nfs/dbraw/zinc/51/66/83/1428516683.db2.gz FFVADIBQNMYQOV-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001732530597 1428651183 /nfs/dbraw/zinc/65/11/83/1428651183.db2.gz IMSVBFFUWVZFHO-IAGOWNOFSA-N 2 0 349.519 3.362 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)C[NH+]1CCC(C)CC1 ZINC001699209635 1412575994 /nfs/dbraw/zinc/57/59/94/1412575994.db2.gz KDJHIIYVMYWQGU-KRWDZBQOSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699415255 1412729345 /nfs/dbraw/zinc/72/93/45/1412729345.db2.gz JEMGQVJPGUDBJW-TWOQFEAHSA-N 2 0 339.483 3.089 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001699419370 1412733813 /nfs/dbraw/zinc/73/38/13/1412733813.db2.gz XWPLYMAKQLURJX-IRXDYDNUSA-N 2 0 345.531 3.307 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001699425440 1412740581 /nfs/dbraw/zinc/74/05/81/1412740581.db2.gz LDBJLKVWXHAISA-IRXDYDNUSA-N 2 0 347.547 3.481 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001699460909 1412814432 /nfs/dbraw/zinc/81/44/32/1412814432.db2.gz GIMJOHWOFXJFHH-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463086 1412821659 /nfs/dbraw/zinc/82/16/59/1412821659.db2.gz DCKFPJLKGPVSHS-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699700922 1413114695 /nfs/dbraw/zinc/11/46/95/1413114695.db2.gz BFXNLBULCFAWNE-WIYYLYMNSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702066 1413115709 /nfs/dbraw/zinc/11/57/09/1413115709.db2.gz QDLRDDJAUIUDKK-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699978960 1413424010 /nfs/dbraw/zinc/42/40/10/1413424010.db2.gz IRSYGWANEXEJJH-GUDVDZBRSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCc2ccc([C@@H](C)[NH2+]CCF)cc2)CC1 ZINC001700098701 1413515627 /nfs/dbraw/zinc/51/56/27/1413515627.db2.gz IWQJKILENWSMKB-MRXNPFEDSA-N 2 0 349.494 3.043 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001732577405 1428779683 /nfs/dbraw/zinc/77/96/83/1428779683.db2.gz YYNLQDPCPGRAGT-PXNSSMCTSA-N 2 0 345.531 3.355 20 0 EGADRP C[C@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CCCC2CCCC2)C1 ZINC001700548644 1414218296 /nfs/dbraw/zinc/21/82/96/1414218296.db2.gz CNOFKCBNFCIJKV-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001700556044 1414225648 /nfs/dbraw/zinc/22/56/48/1414225648.db2.gz VTXOJZNTYMYNOL-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700698469 1414359607 /nfs/dbraw/zinc/35/96/07/1414359607.db2.gz QIYGZLGTUJIAQV-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001700889002 1414548320 /nfs/dbraw/zinc/54/83/20/1414548320.db2.gz SBXCLNOPEGEWHB-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CN(CC[N@H+](C)CCC1CCCC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732594051 1428823434 /nfs/dbraw/zinc/82/34/34/1428823434.db2.gz FBUMASQBKAIYQC-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]CC1CCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001700995568 1414643375 /nfs/dbraw/zinc/64/33/75/1414643375.db2.gz RNWJYNOFOUSKEC-IBGZPJMESA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H]([NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001701030881 1414693252 /nfs/dbraw/zinc/69/32/52/1414693252.db2.gz XLWNNEVZTHSQMC-KKXNLOMOSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001732985877 1429112877 /nfs/dbraw/zinc/11/28/77/1429112877.db2.gz WMTLWCBXPIBTLD-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001733053836 1429195395 /nfs/dbraw/zinc/19/53/95/1429195395.db2.gz GLIVUPYUYWMCGP-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001712998934 1417550940 /nfs/dbraw/zinc/55/09/40/1417550940.db2.gz IOLJAFJQNZTZHE-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713060737 1417616443 /nfs/dbraw/zinc/61/64/43/1417616443.db2.gz IWCGLVQDMVTDGY-ABQVSZSXSA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001713097005 1417647023 /nfs/dbraw/zinc/64/70/23/1417647023.db2.gz KMGPWTULBWVDAE-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[N@H+](C)CCC3CCCC3)C2)CC1 ZINC001713134707 1417713583 /nfs/dbraw/zinc/71/35/83/1417713583.db2.gz SLXHTCRPYOGYQD-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713219216 1417800056 /nfs/dbraw/zinc/80/00/56/1417800056.db2.gz LFGNCZDVYPVPCN-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713279464 1417905214 /nfs/dbraw/zinc/90/52/14/1417905214.db2.gz ZNRHFYPPCIJSEH-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713418233 1418041694 /nfs/dbraw/zinc/04/16/94/1418041694.db2.gz ANPLYSDYPQRDAC-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CCCCC1 ZINC001713484389 1418177392 /nfs/dbraw/zinc/17/73/92/1418177392.db2.gz FUKASCBYPIIKMO-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](CC)[C@H](C)c2ccccc2)C1 ZINC001713490409 1418188689 /nfs/dbraw/zinc/18/86/89/1418188689.db2.gz FDEYPBHLHJFILI-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cccc(C)c1 ZINC001713546695 1418318702 /nfs/dbraw/zinc/31/87/02/1418318702.db2.gz VPIYMLJDXVTTFL-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001713682453 1418434904 /nfs/dbraw/zinc/43/49/04/1418434904.db2.gz BKNQXDIBMCLCIQ-QZTJIDSGSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001713734482 1418526286 /nfs/dbraw/zinc/52/62/86/1418526286.db2.gz IWDHFRLOCRMNPP-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001713867923 1418664913 /nfs/dbraw/zinc/66/49/13/1418664913.db2.gz LIFIMXHTLBKLDZ-APWZRJJASA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001714078525 1418872902 /nfs/dbraw/zinc/87/29/02/1418872902.db2.gz CYBYMTGETGZSIN-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](CNC(=O)CCc1c[nH]cn1)[NH2+][C@H](C)c1ccccc1Cl ZINC001714080914 1418874692 /nfs/dbraw/zinc/87/46/92/1418874692.db2.gz SUYDNUFJVFIYSM-KGLIPLIRSA-N 2 0 348.878 3.241 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001714139690 1418942116 /nfs/dbraw/zinc/94/21/16/1418942116.db2.gz JIILQJAABIXBTA-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CCCCCC2)CCCC1 ZINC001714139869 1418942526 /nfs/dbraw/zinc/94/25/26/1418942526.db2.gz WKBORXHYNKGRDR-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C[NH2+]CC3CC(C)C3)CCCC2)C1 ZINC001714140508 1418942856 /nfs/dbraw/zinc/94/28/56/1418942856.db2.gz MGHRTZITJKVCEB-ACBHZAAOSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001714149060 1418954864 /nfs/dbraw/zinc/95/48/64/1418954864.db2.gz CEUKJTOOBAWWKC-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+]Cc2cc(C)cc(C)c2)CCCC1)[NH+](C)C ZINC001714149230 1418955134 /nfs/dbraw/zinc/95/51/34/1418955134.db2.gz WMOGCSXBBPAIPM-LJQANCHMSA-N 2 0 345.531 3.162 20 0 EGADRP CC[NH2+]C[C@]1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCC[C@@H]1C ZINC001714187504 1418994594 /nfs/dbraw/zinc/99/45/94/1418994594.db2.gz JGAVQNCLILZWKD-FXAWDEMLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001714307377 1419087083 /nfs/dbraw/zinc/08/70/83/1419087083.db2.gz GEDKGEHLPHAYOL-VAMGGRTRSA-N 2 0 345.531 3.324 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001714308156 1419088460 /nfs/dbraw/zinc/08/84/60/1419088460.db2.gz ALPCGQQFAQBUCT-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001714313495 1419094210 /nfs/dbraw/zinc/09/42/10/1419094210.db2.gz KSUZESLUQOFBFI-BRWVUGGUSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714447001 1419178780 /nfs/dbraw/zinc/17/87/80/1419178780.db2.gz XUIYUUQBFMAMNX-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714476385 1419199766 /nfs/dbraw/zinc/19/97/66/1419199766.db2.gz FUZJGIUTNSINKT-MSOLQXFVSA-N 2 0 343.515 3.169 20 0 EGADRP CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[N@H+](C)CC)CC2 ZINC001714522821 1419249100 /nfs/dbraw/zinc/24/91/00/1419249100.db2.gz CNPSJTRNTRCCRF-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)Cc1ccccc1C ZINC001714583632 1419323824 /nfs/dbraw/zinc/32/38/24/1419323824.db2.gz CIYPYEFSHPFRHD-HXUWFJFHSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccc(F)cc1 ZINC001714584917 1419326764 /nfs/dbraw/zinc/32/67/64/1419326764.db2.gz SAASWIBNQRCIIH-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1ccccc1C ZINC001714618339 1419382345 /nfs/dbraw/zinc/38/23/45/1419382345.db2.gz KQUXLAMSKNSFKU-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C\c1ccccc1)[NH+](C)C ZINC001714622567 1419390725 /nfs/dbraw/zinc/39/07/25/1419390725.db2.gz RCZOBWXRZVMODE-LMEYLOCPSA-N 2 0 343.515 3.011 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001714637578 1419408567 /nfs/dbraw/zinc/40/85/67/1419408567.db2.gz LZWHWYAZOIKYKO-AZUAARDMSA-N 2 0 345.531 3.088 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001714716893 1419482176 /nfs/dbraw/zinc/48/21/76/1419482176.db2.gz QXVCXHOKLCOXQI-FXAWDEMLSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714762017 1419498115 /nfs/dbraw/zinc/49/81/15/1419498115.db2.gz BMSJVCOEGPCYFG-QUCCMNQESA-N 2 0 345.531 3.367 20 0 EGADRP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001714769452 1419500557 /nfs/dbraw/zinc/50/05/57/1419500557.db2.gz BYDGSTAAELHQOW-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714904576 1419646982 /nfs/dbraw/zinc/64/69/82/1419646982.db2.gz GRTJWICYRXARRG-WOJBJXKFSA-N 2 0 345.531 3.086 20 0 EGADRP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001715040248 1419778393 /nfs/dbraw/zinc/77/83/93/1419778393.db2.gz MOLHIXJIUPUSOO-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715066836 1419803451 /nfs/dbraw/zinc/80/34/51/1419803451.db2.gz YFSVGRKISBWENW-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001715083617 1419821179 /nfs/dbraw/zinc/82/11/79/1419821179.db2.gz GUPRVUNMOQAMTA-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001715178214 1419913299 /nfs/dbraw/zinc/91/32/99/1419913299.db2.gz ABCPGPHHHIRQHJ-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001715225335 1419958257 /nfs/dbraw/zinc/95/82/57/1419958257.db2.gz CWPFAWWFRYGNBJ-JXFKEZNVSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1 ZINC001715237996 1419968527 /nfs/dbraw/zinc/96/85/27/1419968527.db2.gz DAGKCMFMKNZLIM-MJGOQNOKSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CC2CCC2)CCCC1)[NH+]1CCCCCC1 ZINC001715307845 1420016974 /nfs/dbraw/zinc/01/69/74/1420016974.db2.gz QMRWVKSEPBFTOA-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001715343396 1420045774 /nfs/dbraw/zinc/04/57/74/1420045774.db2.gz JNXHMFWHUKYRHQ-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715382471 1420078990 /nfs/dbraw/zinc/07/89/90/1420078990.db2.gz FOTKUZKOUHGACA-QGZVFWFLSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001715403872 1420102432 /nfs/dbraw/zinc/10/24/32/1420102432.db2.gz KVWUGJBZIYFKAX-LJQANCHMSA-N 2 0 337.552 3.170 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001715480536 1420159383 /nfs/dbraw/zinc/15/93/83/1420159383.db2.gz HLMGYKNLWXWIPQ-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715976263 1420436208 /nfs/dbraw/zinc/43/62/08/1420436208.db2.gz JLHNTZDEBHYLTD-HOTGVXAUSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001716466201 1420679475 /nfs/dbraw/zinc/67/94/75/1420679475.db2.gz WDSZRBYPLDNIQA-PKOBYXMFSA-N 2 0 331.504 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001716999928 1421070166 /nfs/dbraw/zinc/07/01/66/1421070166.db2.gz XACWRIJKYUDMMW-ACDBMABISA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001717098157 1421108975 /nfs/dbraw/zinc/10/89/75/1421108975.db2.gz WLDYRNKLCRUZDQ-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001717200571 1421167918 /nfs/dbraw/zinc/16/79/18/1421167918.db2.gz IYBFLPPZFWSWJT-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C2CCC2)c1 ZINC001717207846 1421178702 /nfs/dbraw/zinc/17/87/02/1421178702.db2.gz RNYZBYXOLKMBGC-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CN(CCC[N@H+](C)CCCC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001717211461 1421185302 /nfs/dbraw/zinc/18/53/02/1421185302.db2.gz PSDXSRGOGQGYTO-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001717212559 1421186849 /nfs/dbraw/zinc/18/68/49/1421186849.db2.gz YKLOXOZKUOLDTC-RTBURBONSA-N 2 0 345.531 3.178 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001717217081 1421195300 /nfs/dbraw/zinc/19/53/00/1421195300.db2.gz OIYVKPWQVJSTOX-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC1(C)C ZINC001717312334 1421257612 /nfs/dbraw/zinc/25/76/12/1421257612.db2.gz RWGSGEFVOAKEOE-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001717827398 1421641134 /nfs/dbraw/zinc/64/11/34/1421641134.db2.gz IAFUJLLDPIGUQI-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(CC)cc2)[C@@H]1C ZINC001717861630 1421674630 /nfs/dbraw/zinc/67/46/30/1421674630.db2.gz ZANUPWCZLHXAGK-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733450782 1429662534 /nfs/dbraw/zinc/66/25/34/1429662534.db2.gz NXUSIMSZANYXKD-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001733464025 1429694010 /nfs/dbraw/zinc/69/40/10/1429694010.db2.gz SSFKZGNBKSRLFY-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001723875185 1424594975 /nfs/dbraw/zinc/59/49/75/1424594975.db2.gz LKOSBFBOOYERBG-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001724224433 1424742541 /nfs/dbraw/zinc/74/25/41/1424742541.db2.gz YARHAUWFXUQHEE-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001724303544 1424788381 /nfs/dbraw/zinc/78/83/81/1424788381.db2.gz ZQNINAXVXFKDPW-LJQANCHMSA-N 2 0 345.531 3.308 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001724601702 1424932568 /nfs/dbraw/zinc/93/25/68/1424932568.db2.gz SVKLXZRHUIEDGP-ACDBMABISA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001725004901 1425419419 /nfs/dbraw/zinc/41/94/19/1425419419.db2.gz GDDHNXLGGQVZBJ-SCTDSRPQSA-N 2 0 333.520 3.127 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047328 1425477847 /nfs/dbraw/zinc/47/78/47/1425477847.db2.gz MGPIUGSSONGJRN-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001725249200 1425869373 /nfs/dbraw/zinc/86/93/73/1425869373.db2.gz PIMNUOQYBBVKLX-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1)[NH+](CC)CC ZINC001725425607 1426084993 /nfs/dbraw/zinc/08/49/93/1426084993.db2.gz UJAPQFUTJXERSV-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1C ZINC001725612737 1426273836 /nfs/dbraw/zinc/27/38/36/1426273836.db2.gz ACCWCKFCCSASAB-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2CC(N(C)C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001725780679 1426465138 /nfs/dbraw/zinc/46/51/38/1426465138.db2.gz VJPZIFZFTGQVAM-IVMQYODDSA-N 2 0 343.515 3.119 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001731354965 1427295252 /nfs/dbraw/zinc/29/52/52/1427295252.db2.gz NWUHCDADKMCBRK-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001731384590 1427327419 /nfs/dbraw/zinc/32/74/19/1427327419.db2.gz DNQBZWWZWIUREF-PKOBYXMFSA-N 2 0 343.515 3.060 20 0 EGADRP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](C(C)C)CC1 ZINC001731387249 1427334747 /nfs/dbraw/zinc/33/47/47/1427334747.db2.gz KHAQBAGTWJCANG-UHFFFAOYSA-N 2 0 325.541 3.076 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001731450718 1427427468 /nfs/dbraw/zinc/42/74/68/1427427468.db2.gz IONYKLUIODNOED-BJLQDIEVSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCC1CCCCCC1 ZINC001731619435 1427668304 /nfs/dbraw/zinc/66/83/04/1427668304.db2.gz WRYXGPICHUXBSI-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](C/C=C/c2ccccc2)CC1 ZINC001733770573 1430000346 /nfs/dbraw/zinc/00/03/46/1430000346.db2.gz UDYMMYKUHBCQOZ-OEMHODTASA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001733770430 1430000645 /nfs/dbraw/zinc/00/06/45/1430000645.db2.gz RRVBJAPWTNRTIM-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733783037 1430050636 /nfs/dbraw/zinc/05/06/36/1430050636.db2.gz VJOFEEHTCCQFHN-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)(C)C ZINC001733939099 1437754943 /nfs/dbraw/zinc/75/49/43/1437754943.db2.gz VAVNYFUGQUIMSP-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734065891 1437860647 /nfs/dbraw/zinc/86/06/47/1437860647.db2.gz NISGXHAQJIETLW-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2F)CC1 ZINC001734270844 1437999824 /nfs/dbraw/zinc/99/98/24/1437999824.db2.gz CXPRWMFVUFAGCL-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@H]1C ZINC001734404426 1438083901 /nfs/dbraw/zinc/08/39/01/1438083901.db2.gz KAJLLCIWFLWATO-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC1CCC(C)CC1 ZINC001751974750 1440129893 /nfs/dbraw/zinc/12/98/93/1440129893.db2.gz KAEQTFOKHPPEKL-CTWPCTMYSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001751989468 1440131268 /nfs/dbraw/zinc/13/12/68/1440131268.db2.gz ODMDKPXMJAXMEY-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001752159058 1440148266 /nfs/dbraw/zinc/14/82/66/1440148266.db2.gz YSIFVNHLRRUYJT-AZUAARDMSA-N 2 0 345.531 3.194 20 0 EGADRP CN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001752303738 1440168265 /nfs/dbraw/zinc/16/82/65/1440168265.db2.gz GYCDFHNYOVVFOM-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001752396076 1440174072 /nfs/dbraw/zinc/17/40/72/1440174072.db2.gz LHAXSBBNBHOPTL-QFBILLFUSA-N 2 0 331.504 3.013 20 0 EGADRP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001752431598 1440178381 /nfs/dbraw/zinc/17/83/81/1440178381.db2.gz MRDGTKFDIBCMFV-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001752432593 1440178786 /nfs/dbraw/zinc/17/87/86/1440178786.db2.gz VPYKARVFVJXJLI-DSQZMVHQSA-N 2 0 347.547 3.188 20 0 EGADRP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001752439597 1440180992 /nfs/dbraw/zinc/18/09/92/1440180992.db2.gz KOMWKPKPUWZULZ-OVKVCFKUSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001752491350 1440186869 /nfs/dbraw/zinc/18/68/69/1440186869.db2.gz RULVFIIIZPOLOJ-SFHVURJKSA-N 2 0 337.552 3.027 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001752518594 1440191840 /nfs/dbraw/zinc/19/18/40/1440191840.db2.gz WCHLPDGRUUHBSN-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752639524 1440197469 /nfs/dbraw/zinc/19/74/69/1440197469.db2.gz NYCVUWIHBMFBEC-MKXGPGLRSA-N 2 0 337.552 3.026 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001752740689 1440204414 /nfs/dbraw/zinc/20/44/14/1440204414.db2.gz GKOHDNVSOOCJJE-CALCHBBNSA-N 2 0 335.536 3.066 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001752785596 1440211075 /nfs/dbraw/zinc/21/10/75/1440211075.db2.gz CCWWRMRJMVXNCU-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001752799153 1440214811 /nfs/dbraw/zinc/21/48/11/1440214811.db2.gz LJARGQUFGKQUIW-GBESFXJTSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1)[NH+](C)C ZINC001752822242 1440221142 /nfs/dbraw/zinc/22/11/42/1440221142.db2.gz CKAQPZCTOPUOPC-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001752822644 1440221395 /nfs/dbraw/zinc/22/13/95/1440221395.db2.gz LOJOSYPIRKDIBK-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001752825235 1440223392 /nfs/dbraw/zinc/22/33/92/1440223392.db2.gz NWLNGLMLCNUBEG-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752828906 1440224780 /nfs/dbraw/zinc/22/47/80/1440224780.db2.gz KJZQICVOVAVLDB-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752828907 1440224842 /nfs/dbraw/zinc/22/48/42/1440224842.db2.gz KJZQICVOVAVLDB-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752845811 1440232355 /nfs/dbraw/zinc/23/23/55/1440232355.db2.gz AAMOKTNHHPRCFL-DVAHFNKISA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001752910433 1440245284 /nfs/dbraw/zinc/24/52/84/1440245284.db2.gz SEXSJZFZUCYBQP-CVEARBPZSA-N 2 0 349.494 3.101 20 0 EGADRP CC(C)(C(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001752947238 1440251653 /nfs/dbraw/zinc/25/16/53/1440251653.db2.gz ADKWMOQHZMETMV-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1ccc(C[N@H+](C)CCNC(=O)CC[NH+](C)C2CCCCC2)cc1 ZINC001753058558 1440282531 /nfs/dbraw/zinc/28/25/31/1440282531.db2.gz VKTMTXZMZFLHSL-UHFFFAOYSA-N 2 0 345.531 3.198 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CCC(C)(C)C ZINC001753083278 1440295011 /nfs/dbraw/zinc/29/50/11/1440295011.db2.gz YLYPMQYNOGAARA-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001753112880 1440309565 /nfs/dbraw/zinc/30/95/65/1440309565.db2.gz IFXNKTVPZMUUKE-CQQBRXBZSA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1cccc(F)c1 ZINC001753116795 1440311828 /nfs/dbraw/zinc/31/18/28/1440311828.db2.gz OUJGMCKBWYBYCF-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001753136353 1440318931 /nfs/dbraw/zinc/31/89/31/1440318931.db2.gz UIIQCILDLAYVJF-WOJBJXKFSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[NH+](CC1CCC(C)(C)CC1)C1CC1 ZINC001753165081 1440335735 /nfs/dbraw/zinc/33/57/35/1440335735.db2.gz NHKGZQQSGKQHIL-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001753241775 1440342166 /nfs/dbraw/zinc/34/21/66/1440342166.db2.gz IUHUQWBZSNDDAN-IBGZPJMESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)C(C)(C)c1cnc[nH]1)c1cccc(Cl)c1 ZINC001753251868 1440343124 /nfs/dbraw/zinc/34/31/24/1440343124.db2.gz CKVHNKHROCUMMM-ZDUSSCGKSA-N 2 0 348.878 3.150 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001753275661 1440346100 /nfs/dbraw/zinc/34/61/00/1440346100.db2.gz YNFCJBIOWWEFPK-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001753276853 1440346345 /nfs/dbraw/zinc/34/63/45/1440346345.db2.gz AZRBZNNUYDULEK-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001753277635 1440346581 /nfs/dbraw/zinc/34/65/81/1440346581.db2.gz NRETYPLFRCDSGT-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CC(C)C1 ZINC001753285622 1440348728 /nfs/dbraw/zinc/34/87/28/1440348728.db2.gz RVWZDIJQRCLIQO-ACBHZAAOSA-N 2 0 337.552 3.122 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001753351505 1440378058 /nfs/dbraw/zinc/37/80/58/1440378058.db2.gz FDSULUHPTKDTKK-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001753460186 1440410243 /nfs/dbraw/zinc/41/02/43/1440410243.db2.gz YFISAEISVTZNKV-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001753462689 1440411587 /nfs/dbraw/zinc/41/15/87/1440411587.db2.gz ZEENKVUAJJNEOU-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001753523738 1440429087 /nfs/dbraw/zinc/42/90/87/1440429087.db2.gz PRNZJJCDNVMJEC-FQEVSTJZSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001753536613 1440432731 /nfs/dbraw/zinc/43/27/31/1440432731.db2.gz WPDJPEPWPFYHOU-WIYYLYMNSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753551904 1440435186 /nfs/dbraw/zinc/43/51/86/1440435186.db2.gz RZLIABCFGSPBBB-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001753581365 1440440166 /nfs/dbraw/zinc/44/01/66/1440440166.db2.gz MPRKEFUKDWRPTM-FHWLQOOXSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001753599045 1440445774 /nfs/dbraw/zinc/44/57/74/1440445774.db2.gz ZZDHPNQYYNZBCD-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753694683 1440467213 /nfs/dbraw/zinc/46/72/13/1440467213.db2.gz DTLCDZDEWABOMK-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001753698731 1440467885 /nfs/dbraw/zinc/46/78/85/1440467885.db2.gz JONNGISECMSNRW-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001753709136 1440470228 /nfs/dbraw/zinc/47/02/28/1440470228.db2.gz SJXURMONNKVRPG-ICSRJNTNSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001753729338 1440475386 /nfs/dbraw/zinc/47/53/86/1440475386.db2.gz KXZDVDOBMBSSPV-KRWDZBQOSA-N 2 0 341.499 3.117 20 0 EGADRP Cc1c(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)CC(C)C)ccc2c[nH+]cn21 ZINC001753735669 1440477585 /nfs/dbraw/zinc/47/75/85/1440477585.db2.gz BATOUHNEUYNIPB-NFBGWVBBSA-N 2 0 348.878 3.129 20 0 EGADRP Cc1c(C(=O)N[C@H](C[NH2+]C/C=C/Cl)CC(C)C)ccc2c[nH+]cn21 ZINC001753735671 1440477688 /nfs/dbraw/zinc/47/76/88/1440477688.db2.gz BATOUHNEUYNIPB-SZTZYQKNSA-N 2 0 348.878 3.129 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001753749758 1440482135 /nfs/dbraw/zinc/48/21/35/1440482135.db2.gz PYAJZCIHVIMWJE-MOPGFXCFSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001753788702 1440488658 /nfs/dbraw/zinc/48/86/58/1440488658.db2.gz SOGFGYXDWFESMC-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001753831118 1440499598 /nfs/dbraw/zinc/49/95/98/1440499598.db2.gz NFTBPNWRLKCZMR-MOPGFXCFSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001753845439 1440504270 /nfs/dbraw/zinc/50/42/70/1440504270.db2.gz JQNCDXIKITYAMI-QUCCMNQESA-N 2 0 345.531 3.354 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(CC)cc1 ZINC001753854304 1440508279 /nfs/dbraw/zinc/50/82/79/1440508279.db2.gz FYTXESVTUYOTTJ-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869314 1440516747 /nfs/dbraw/zinc/51/67/47/1440516747.db2.gz OLCULZYYJPCTGX-SFHVURJKSA-N 2 0 331.504 3.014 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753874731 1440518604 /nfs/dbraw/zinc/51/86/04/1440518604.db2.gz BHTKCKDBDAPQOM-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCc1ccccc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753989185 1440528935 /nfs/dbraw/zinc/52/89/35/1440528935.db2.gz VFKPFEHCNZPSQX-KRWDZBQOSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001754139859 1440544195 /nfs/dbraw/zinc/54/41/95/1440544195.db2.gz JHUOIXUDYRQOIK-OYFNKTHYSA-N 2 0 349.563 3.195 20 0 EGADRP C[C@H]([NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001754155885 1440545544 /nfs/dbraw/zinc/54/55/44/1440545544.db2.gz CFFGBAOKFRMJIU-AWFCHZOYSA-N 2 0 347.478 3.023 20 0 EGADRP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CCC2CCCCCC2)CC1 ZINC001754180026 1440547920 /nfs/dbraw/zinc/54/79/20/1440547920.db2.gz TZTWPBHWEVNYPF-SREVYHEPSA-N 2 0 349.563 3.341 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001754239168 1440555315 /nfs/dbraw/zinc/55/53/15/1440555315.db2.gz PYHGTJPFCNCIJE-XWSJACJDSA-N 2 0 345.531 3.189 20 0 EGADRP Cc1ccc2ccccc2c1C[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001754239363 1440555325 /nfs/dbraw/zinc/55/53/25/1440555325.db2.gz UPMQWASWKANTOW-QGZVFWFLSA-N 2 0 341.499 3.084 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001754270636 1440561438 /nfs/dbraw/zinc/56/14/38/1440561438.db2.gz JRTPQVBOVQBHJV-OALUTQOASA-N 2 0 345.531 3.081 20 0 EGADRP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001754288897 1440564545 /nfs/dbraw/zinc/56/45/45/1440564545.db2.gz JIEMHQTVXATIEQ-INIZCTEOSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754317435 1440576124 /nfs/dbraw/zinc/57/61/24/1440576124.db2.gz DETWURDYWLGKKG-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C)c1 ZINC001754337685 1440587562 /nfs/dbraw/zinc/58/75/62/1440587562.db2.gz YKCFPDJIVVJMBP-MSOLQXFVSA-N 2 0 333.520 3.141 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001754347321 1440589979 /nfs/dbraw/zinc/58/99/79/1440589979.db2.gz XMIPLIPNANKPKG-SJLPKXTDSA-N 2 0 337.552 3.312 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c1 ZINC001754347860 1440590073 /nfs/dbraw/zinc/59/00/73/1440590073.db2.gz BOYSAECLVSDDKH-UXHICEINSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001754376168 1440592997 /nfs/dbraw/zinc/59/29/97/1440592997.db2.gz AWDDPZBBLPFYEJ-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001754416799 1440597011 /nfs/dbraw/zinc/59/70/11/1440597011.db2.gz TXXJBXMFDDHGMC-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CC=C(C)C ZINC001754468534 1440604828 /nfs/dbraw/zinc/60/48/28/1440604828.db2.gz OXBROMDQCCFBKM-MOPGFXCFSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001754471199 1440605387 /nfs/dbraw/zinc/60/53/87/1440605387.db2.gz WOWVHXPOXHRWNS-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001754470857 1440605508 /nfs/dbraw/zinc/60/55/08/1440605508.db2.gz RTOQXACDZLVYKN-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001754504060 1440615435 /nfs/dbraw/zinc/61/54/35/1440615435.db2.gz CMKNPGOLRJKJLA-YSKLNCTFSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H](C)c3cccc(C)c3)CC2)CC[N@@H+]1C ZINC001754514509 1440618208 /nfs/dbraw/zinc/61/82/08/1440618208.db2.gz CIPUJBKUEVOFAR-NZSAHSFTSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)c1ccc(C[NH2+]C2(CNC(=O)C3([NH+](C)C)CCC3)CC2)cc1 ZINC001754516088 1440618542 /nfs/dbraw/zinc/61/85/42/1440618542.db2.gz NUSYFHZKZJNMDY-UHFFFAOYSA-N 2 0 343.515 3.033 20 0 EGADRP O=C(NCC1([NH2+]CCCC2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001754517938 1440619020 /nfs/dbraw/zinc/61/90/20/1440619020.db2.gz GIROZMFPVNESMT-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001754556270 1440631565 /nfs/dbraw/zinc/63/15/65/1440631565.db2.gz XZNSSNVLWMFVRT-HRSGFYEVSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)c(C)c1 ZINC001754598403 1440641986 /nfs/dbraw/zinc/64/19/86/1440641986.db2.gz IYQOVHCAHATAFB-RBUKOAKNSA-N 2 0 345.531 3.033 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C[C@H]1C ZINC001754601955 1440642551 /nfs/dbraw/zinc/64/25/51/1440642551.db2.gz WWHIIGKZJVGZFE-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001754629172 1440647153 /nfs/dbraw/zinc/64/71/53/1440647153.db2.gz SROVMDZQKXEOGH-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001754629418 1440647337 /nfs/dbraw/zinc/64/73/37/1440647337.db2.gz BVKQFTAGDDEHDN-INIZCTEOSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC001754653303 1440652632 /nfs/dbraw/zinc/65/26/32/1440652632.db2.gz XKIBYZRWJKYDGI-IBGZPJMESA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001754654581 1440653009 /nfs/dbraw/zinc/65/30/09/1440653009.db2.gz IEBMNRFONCXIQM-IBGZPJMESA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001754782755 1440686734 /nfs/dbraw/zinc/68/67/34/1440686734.db2.gz FRPICXKYSRGYMX-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001754946944 1440713583 /nfs/dbraw/zinc/71/35/83/1440713583.db2.gz BQIAELZYTUXWCE-CVEARBPZSA-N 2 0 349.494 3.186 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001754946947 1440713633 /nfs/dbraw/zinc/71/36/33/1440713633.db2.gz BQIAELZYTUXWCE-JKSUJKDBSA-N 2 0 349.494 3.186 20 0 EGADRP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001754960516 1440717426 /nfs/dbraw/zinc/71/74/26/1440717426.db2.gz MUQZTMYGRRDYGO-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001754990872 1440724384 /nfs/dbraw/zinc/72/43/84/1440724384.db2.gz RURGPZCFCCPKTE-GOSISDBHSA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755028194 1440729889 /nfs/dbraw/zinc/72/98/89/1440729889.db2.gz BWPNCEDGOZOLFZ-VZSQWMKGSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001755029691 1440730834 /nfs/dbraw/zinc/73/08/34/1440730834.db2.gz YRNGMJVEKWAJOG-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)[NH+]1CCCC1 ZINC001755047694 1440742082 /nfs/dbraw/zinc/74/20/82/1440742082.db2.gz OYSKOUMWVBYFQU-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001755070173 1440746272 /nfs/dbraw/zinc/74/62/72/1440746272.db2.gz VZEOXDPOJQKIIJ-MOPGFXCFSA-N 2 0 347.547 3.164 20 0 EGADRP CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001755073657 1440747557 /nfs/dbraw/zinc/74/75/57/1440747557.db2.gz BVZSJDAEGVVORI-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001755108610 1440754003 /nfs/dbraw/zinc/75/40/03/1440754003.db2.gz IBRFTEXRFDYGGZ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001755183726 1440772064 /nfs/dbraw/zinc/77/20/64/1440772064.db2.gz PAFPVHPKYSUMAV-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001755204658 1440781774 /nfs/dbraw/zinc/78/17/74/1440781774.db2.gz MBZXZHFLKQPNNI-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001755205073 1440782028 /nfs/dbraw/zinc/78/20/28/1440782028.db2.gz PUXGJYFIQZRCCJ-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755273677 1440798333 /nfs/dbraw/zinc/79/83/33/1440798333.db2.gz XYGAVZGWTKPULQ-SBDAGSLNSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001755275249 1440798789 /nfs/dbraw/zinc/79/87/89/1440798789.db2.gz RZTBCYIDFNJCFN-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001755277405 1440799489 /nfs/dbraw/zinc/79/94/89/1440799489.db2.gz KLXZCFODXJEXPF-YJBOKZPZSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1cccc(C)c1C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001755300483 1440808255 /nfs/dbraw/zinc/80/82/55/1440808255.db2.gz QMYWCKWEPQZMHN-AZUAARDMSA-N 2 0 345.531 3.113 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCCC1 ZINC001755301382 1440808801 /nfs/dbraw/zinc/80/88/01/1440808801.db2.gz KTSVMOQXQCIWAQ-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCCC2CCCC2)CCCCC1 ZINC001755355875 1440829441 /nfs/dbraw/zinc/82/94/41/1440829441.db2.gz YSZPJEHBHGNWTN-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001755412560 1440847057 /nfs/dbraw/zinc/84/70/57/1440847057.db2.gz VPPUXBABCCLTLQ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001755502916 1440862780 /nfs/dbraw/zinc/86/27/80/1440862780.db2.gz KLNZTIVMALUQNJ-IEBWSBKVSA-N 2 0 335.536 3.234 20 0 EGADRP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755563571 1440875119 /nfs/dbraw/zinc/87/51/19/1440875119.db2.gz BLELGNMSNACIEW-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001755687487 1440896231 /nfs/dbraw/zinc/89/62/31/1440896231.db2.gz YJFJADBFQDTLLD-FXAWDEMLSA-N 2 0 345.531 3.029 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001755700011 1440899395 /nfs/dbraw/zinc/89/93/95/1440899395.db2.gz FLRNEVCFBKZGFR-ICSRJNTNSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001755700100 1440899720 /nfs/dbraw/zinc/89/97/20/1440899720.db2.gz CIOIJLCEEYQTLW-UYAOXDASSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCCC1)CC2 ZINC001755704836 1440902141 /nfs/dbraw/zinc/90/21/41/1440902141.db2.gz QVWVILBCIUDYFB-ICSRJNTNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001755705206 1440902465 /nfs/dbraw/zinc/90/24/65/1440902465.db2.gz VWOYSZXNTVJEFI-UYAOXDASSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001755717838 1440905721 /nfs/dbraw/zinc/90/57/21/1440905721.db2.gz JPIZYCPILHQGDS-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001755720122 1440907089 /nfs/dbraw/zinc/90/70/89/1440907089.db2.gz CPYFDQMPYPJXGG-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C)c1 ZINC001755812508 1440921199 /nfs/dbraw/zinc/92/11/99/1440921199.db2.gz QWUZXPPHYQYVPH-LJQANCHMSA-N 2 0 347.547 3.485 20 0 EGADRP CCCCCC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001755822641 1440926196 /nfs/dbraw/zinc/92/61/96/1440926196.db2.gz UNMHFDHXVIDFGA-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001755825831 1440927195 /nfs/dbraw/zinc/92/71/95/1440927195.db2.gz XBKOGSOQNGJHDZ-MOPGFXCFSA-N 2 0 349.563 3.480 20 0 EGADRP CN(C(=O)CCCC[NH+]1CCCC1)C1CC([NH2+]CC2CCCC2)C1 ZINC001755865625 1440937739 /nfs/dbraw/zinc/93/77/39/1440937739.db2.gz KYFIAACMTFZPMI-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCc1ccccc1Cl ZINC000368181999 168321701 /nfs/dbraw/zinc/32/17/01/168321701.db2.gz SUOLTVJTXTXRBA-NEWSRXKRSA-N 2 0 336.907 3.456 20 0 EGADRP CN1CCC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1cccs1 ZINC000368217254 168326823 /nfs/dbraw/zinc/32/68/23/168326823.db2.gz XDDYQQQNTBBOAV-CXAGYDPISA-N 2 0 341.484 3.144 20 0 EGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000358937412 283076551 /nfs/dbraw/zinc/07/65/51/283076551.db2.gz VXZQFILEFVMDTC-DLBZAZTESA-N 2 0 339.911 3.179 20 0 EGADRP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000037408294 213144763 /nfs/dbraw/zinc/14/47/63/213144763.db2.gz HVWDFXCBCAUORB-LBPRGKRZSA-N 2 0 327.241 3.162 20 0 EGADRP C[C@H]1C[C@H](N(C)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000354400517 291124899 /nfs/dbraw/zinc/12/48/99/291124899.db2.gz PDXRNIUNPRGLOA-PZJWPPBQSA-N 2 0 329.532 3.457 20 0 EGADRP Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000130621020 223165444 /nfs/dbraw/zinc/16/54/44/223165444.db2.gz BOYSDTYQTQLOLU-UTKZUKDTSA-N 2 0 342.483 3.320 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NC(C)(C)C ZINC000112708747 299323979 /nfs/dbraw/zinc/32/39/79/299323979.db2.gz IDONYAFMXQMSEV-KRWDZBQOSA-N 2 0 345.531 3.455 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000132373594 223325533 /nfs/dbraw/zinc/32/55/33/223325533.db2.gz UETQEZPUAHXPEK-NHCUHLMSSA-N 2 0 329.532 3.308 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000415020066 309114634 /nfs/dbraw/zinc/11/46/34/309114634.db2.gz GCIKIBWBFTZHGU-HAQNSBGRSA-N 2 0 329.257 3.443 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(F)c(Br)c3)C[C@@H]21 ZINC000230048015 242224606 /nfs/dbraw/zinc/22/46/06/242224606.db2.gz KLPYSQSHAQOUMX-SLEUVZQESA-N 2 0 327.241 3.147 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000230046678 242225096 /nfs/dbraw/zinc/22/50/96/242225096.db2.gz MMXABYFBSLXGOK-BYCMXARLSA-N 2 0 327.241 3.147 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)c1ccsc1 ZINC000236838067 242378113 /nfs/dbraw/zinc/37/81/13/242378113.db2.gz LCIKEBMNKWYHMU-KRWDZBQOSA-N 2 0 331.485 3.020 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000186567752 296145704 /nfs/dbraw/zinc/14/57/04/296145704.db2.gz VRRSOLPRVDMMSD-LSDHHAIUSA-N 2 0 343.437 3.382 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000262710833 245135967 /nfs/dbraw/zinc/13/59/67/245135967.db2.gz QHCPRYITSRONFC-JXFKEZNVSA-N 2 0 331.504 3.195 20 0 EGADRP CC(C)SCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377287948 169006212 /nfs/dbraw/zinc/00/62/12/169006212.db2.gz NQDRIDYUXNVXNF-UHFFFAOYSA-N 2 0 341.609 3.256 20 0 EGADRP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377633578 169052655 /nfs/dbraw/zinc/05/26/55/169052655.db2.gz VKRLCCUDPBAKNS-HHXXYDBFSA-N 2 0 331.504 3.003 20 0 EGADRP Cc1noc(C)c1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820967 218171234 /nfs/dbraw/zinc/17/12/34/218171234.db2.gz IGVDJJWYMXCRTH-UHFFFAOYSA-N 2 0 328.460 3.425 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000095452469 218396617 /nfs/dbraw/zinc/39/66/17/218396617.db2.gz MJOMNWGFGVGIFV-UHFFFAOYSA-N 2 0 335.467 3.208 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268794524 252246344 /nfs/dbraw/zinc/24/63/44/252246344.db2.gz ZJVCBYUITGYREY-GOSISDBHSA-N 2 0 345.531 3.294 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000268848089 252295658 /nfs/dbraw/zinc/29/56/58/252295658.db2.gz VWCMCXXFCAAYIC-KRWDZBQOSA-N 2 0 333.520 3.263 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000268861129 252309930 /nfs/dbraw/zinc/30/99/30/252309930.db2.gz VOLALZJDXOHWKZ-IXDOHACOSA-N 2 0 332.488 3.257 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000268861272 252310431 /nfs/dbraw/zinc/31/04/31/252310431.db2.gz ZBZOXLIURKENGI-UKRRQHHQSA-N 2 0 344.425 3.222 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c(OC)c1 ZINC000166334515 533145610 /nfs/dbraw/zinc/14/56/10/533145610.db2.gz AKERXEOFJNSKQV-LSDHHAIUSA-N 2 0 345.487 3.190 20 0 EGADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154906015 533178133 /nfs/dbraw/zinc/17/81/33/533178133.db2.gz COTKVYKMANKRTN-RXVVDRJESA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000119605599 221358531 /nfs/dbraw/zinc/35/85/31/221358531.db2.gz GQNIBRDKZLZKQF-UHFFFAOYSA-N 2 0 341.499 3.372 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000154951451 224332797 /nfs/dbraw/zinc/33/27/97/224332797.db2.gz JGEBSCTUTANVRA-DLBZAZTESA-N 2 0 341.499 3.135 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000178409142 533381913 /nfs/dbraw/zinc/38/19/13/533381913.db2.gz KQXGGIUMNMRGEL-MRXNPFEDSA-N 2 0 331.460 3.170 20 0 EGADRP C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000169127559 533425155 /nfs/dbraw/zinc/42/51/55/533425155.db2.gz UHFPFEITKHAIQR-DYESRHJHSA-N 2 0 342.483 3.185 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)C1 ZINC000237560079 141007895 /nfs/dbraw/zinc/00/78/95/141007895.db2.gz LRSDQYLRSPBZAT-GPMSIDNRSA-N 2 0 345.531 3.154 20 0 EGADRP C[C@@]1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000237588086 141009457 /nfs/dbraw/zinc/00/94/57/141009457.db2.gz VYSUMELSQYTAHG-HKUYNNGSSA-N 2 0 349.906 3.125 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000341185109 141134501 /nfs/dbraw/zinc/13/45/01/141134501.db2.gz JAUDDWJCJULOHD-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000344477572 141160926 /nfs/dbraw/zinc/16/09/26/141160926.db2.gz HGAHQFWBDBXCGC-UTKZUKDTSA-N 2 0 341.499 3.341 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000353475349 141305016 /nfs/dbraw/zinc/30/50/16/141305016.db2.gz XEPYDWSOZYHZIB-RTBURBONSA-N 2 0 329.488 3.245 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173642848 144045831 /nfs/dbraw/zinc/04/58/31/144045831.db2.gz DKIZQCHZECJPCT-HKUYNNGSSA-N 2 0 347.503 3.219 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000178437833 144071728 /nfs/dbraw/zinc/07/17/28/144071728.db2.gz BYXNJUXYCTUEBJ-SFHVURJKSA-N 2 0 333.907 3.131 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+](C2CCC2)C1 ZINC000344769835 144222361 /nfs/dbraw/zinc/22/23/61/144222361.db2.gz IODOKWSCFPRKQW-FXAWDEMLSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000351847700 144315776 /nfs/dbraw/zinc/31/57/76/144315776.db2.gz AUMRWNMRGZQCTG-FUHWJXTLSA-N 2 0 337.467 3.351 20 0 EGADRP Cc1cccc2ncc(CN3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)n21 ZINC000352288334 144323179 /nfs/dbraw/zinc/32/31/79/144323179.db2.gz ZUORDPKMBIOOPY-BZSNNMDCSA-N 2 0 326.488 3.480 20 0 EGADRP CCc1noc(C)c1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000119666806 152221257 /nfs/dbraw/zinc/22/12/57/152221257.db2.gz ZBEOXTRCCVAXBY-HZPDHXFCSA-N 2 0 349.519 3.257 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000120802647 152302508 /nfs/dbraw/zinc/30/25/08/152302508.db2.gz MBNCFXVZGUJFCG-KRWDZBQOSA-N 2 0 345.512 3.462 20 0 EGADRP CSc1ccc([C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000341549109 155348199 /nfs/dbraw/zinc/34/81/99/155348199.db2.gz DNCNYVCHYVODCS-MPGHIAIKSA-N 2 0 349.544 3.000 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccccc2SC)CC1 ZINC000261974643 153761025 /nfs/dbraw/zinc/76/10/25/153761025.db2.gz FKBIFEFDYJYYHA-UHFFFAOYSA-N 2 0 335.517 3.059 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000262016958 153765446 /nfs/dbraw/zinc/76/54/46/153765446.db2.gz WKCNXSAZXZTXGJ-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000310068887 154138886 /nfs/dbraw/zinc/13/88/86/154138886.db2.gz CPRGLIIOIZLCOQ-WOJBJXKFSA-N 2 0 328.500 3.447 20 0 EGADRP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309932311 154140359 /nfs/dbraw/zinc/14/03/59/154140359.db2.gz WSVLORTVMRWJER-ZBFHGGJFSA-N 2 0 330.394 3.066 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414854824 309105760 /nfs/dbraw/zinc/10/57/60/309105760.db2.gz USEREQYHQROWTL-GOSISDBHSA-N 2 0 326.488 3.028 20 0 EGADRP COCC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336731199 154212313 /nfs/dbraw/zinc/21/23/13/154212313.db2.gz YOSGUSPKAIUYKF-VQTJNVASSA-N 2 0 328.500 3.257 20 0 EGADRP Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000337349382 154299350 /nfs/dbraw/zinc/29/93/50/154299350.db2.gz PLKISJDCXWUJJN-QGZVFWFLSA-N 2 0 340.471 3.031 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000337383572 154324252 /nfs/dbraw/zinc/32/42/52/154324252.db2.gz KAIHGIXQFZQITH-SZMVWBNQSA-N 2 0 332.488 3.160 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCC23CCC3)[C@@H](c2ccccc2)C1 ZINC000337402676 154334546 /nfs/dbraw/zinc/33/45/46/154334546.db2.gz QPZXEACHHMUGKT-UXHICEINSA-N 2 0 327.516 3.288 20 0 EGADRP CC[C@H](C)C[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000341058505 155130895 /nfs/dbraw/zinc/13/08/95/155130895.db2.gz VRUQWKPQJZPDGY-SFHVURJKSA-N 2 0 345.531 3.007 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000346810759 156146724 /nfs/dbraw/zinc/14/67/24/156146724.db2.gz AOOPHRXHSHGZBZ-AEFFLSMTSA-N 2 0 331.504 3.106 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2Cl)n1 ZINC000346823012 156152751 /nfs/dbraw/zinc/15/27/51/156152751.db2.gz JTGXXJFQEMWRMO-XCRHUMRWSA-N 2 0 344.890 3.300 20 0 EGADRP FC(F)(F)c1ccccc1[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346980633 156227952 /nfs/dbraw/zinc/22/79/52/156227952.db2.gz MFEKUROZOGPXIU-INIZCTEOSA-N 2 0 328.378 3.078 20 0 EGADRP CCOc1c(Cl)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000347013310 156247472 /nfs/dbraw/zinc/24/74/72/156247472.db2.gz HUQDMWMIJSTVBY-LBPRGKRZSA-N 2 0 326.868 3.307 20 0 EGADRP CCC[C@H](NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401985 157113684 /nfs/dbraw/zinc/11/36/84/157113684.db2.gz HXHYNGGXTUQXDD-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccc(NC(=O)CN2CCC[C@H](c3nccn3C)C2)c(Cl)c1 ZINC000365623326 157192994 /nfs/dbraw/zinc/19/29/94/157192994.db2.gz GDVXXELCKCQPMC-AWEZNQCLSA-N 2 0 346.862 3.200 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000125970192 162290609 /nfs/dbraw/zinc/29/06/09/162290609.db2.gz SZYAFEFTXKDPKB-ZJOUEHCJSA-N 2 0 344.547 3.002 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](SC)C2)[C@H](C)C1 ZINC000129293717 162351942 /nfs/dbraw/zinc/35/19/42/162351942.db2.gz HBIRCTAJMJCFQW-ZJPYXAASSA-N 2 0 328.566 3.387 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000131645748 162407992 /nfs/dbraw/zinc/40/79/92/162407992.db2.gz STUXEZLXRZHRHW-UHFFFAOYSA-N 2 0 337.467 3.056 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(-c2ccncc2)c1 ZINC000151890530 162608173 /nfs/dbraw/zinc/60/81/73/162608173.db2.gz MQLSGCHKNXWEQF-KRWDZBQOSA-N 2 0 339.483 3.104 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338582884 163282700 /nfs/dbraw/zinc/28/27/00/163282700.db2.gz UJHSNDOBZDUONM-QZTJIDSGSA-N 2 0 343.515 3.133 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2ccccc21 ZINC000338695485 163321274 /nfs/dbraw/zinc/32/12/74/163321274.db2.gz QJVHTIYUXCHLPH-PWIZWCRZSA-N 2 0 344.499 3.490 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338804205 163353298 /nfs/dbraw/zinc/35/32/98/163353298.db2.gz KEFATNRATXQEBC-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1C(F)(F)F ZINC000150977505 287013866 /nfs/dbraw/zinc/01/38/66/287013866.db2.gz VRBCCMIAVMDIHU-CQSZACIVSA-N 2 0 343.437 3.382 20 0 EGADRP CC(C)c1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000343816987 164042129 /nfs/dbraw/zinc/04/21/29/164042129.db2.gz UOSSGFBQEJELRN-GJZGRUSLSA-N 2 0 325.522 3.246 20 0 EGADRP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343951053 164071674 /nfs/dbraw/zinc/07/16/74/164071674.db2.gz ZWLZVWPGNSCCCE-MRXNPFEDSA-N 2 0 345.462 3.272 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343979138 164076645 /nfs/dbraw/zinc/07/66/45/164076645.db2.gz IUUCFVXLGHTUEY-QRWLVFNGSA-N 2 0 325.456 3.045 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000345771409 164262626 /nfs/dbraw/zinc/26/26/26/164262626.db2.gz VGIOKAIETJTLMJ-UHFFFAOYSA-N 2 0 340.471 3.205 20 0 EGADRP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000345940138 164300095 /nfs/dbraw/zinc/30/00/95/164300095.db2.gz XCGIJIIXOITEGY-HXUWFJFHSA-N 2 0 345.531 3.134 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000346496936 164386811 /nfs/dbraw/zinc/38/68/11/164386811.db2.gz WKPZTHRXAOGGMK-UZLBHIALSA-N 2 0 332.488 3.064 20 0 EGADRP CC(C)(C)OCCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000354871771 166052315 /nfs/dbraw/zinc/05/23/15/166052315.db2.gz OADUWNJFZHOCCY-UHFFFAOYSA-N 2 0 326.525 3.016 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000350157079 165013704 /nfs/dbraw/zinc/01/37/04/165013704.db2.gz RBJAOCJNBKAJGT-OTWHNJEPSA-N 2 0 326.525 3.014 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000352061618 165215728 /nfs/dbraw/zinc/21/57/28/165215728.db2.gz YLIAHHPLTRUPFU-ICSRJNTNSA-N 2 0 345.531 3.276 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000352140388 165255549 /nfs/dbraw/zinc/25/55/49/165255549.db2.gz LGGANSDRPZSOCH-HXUWFJFHSA-N 2 0 345.531 3.455 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000352178596 165269324 /nfs/dbraw/zinc/26/93/24/165269324.db2.gz OXXNXIXPQPXCCC-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000355405443 166186576 /nfs/dbraw/zinc/18/65/76/166186576.db2.gz AIXZLAITMYNBCZ-CALCHBBNSA-N 2 0 331.504 3.016 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000355733440 166292829 /nfs/dbraw/zinc/29/28/29/166292829.db2.gz LCQKRFQXKPODLO-KRWDZBQOSA-N 2 0 340.508 3.351 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000355747147 166295286 /nfs/dbraw/zinc/29/52/86/166295286.db2.gz HSMBEGAXDMSZEE-HXUWFJFHSA-N 2 0 341.503 3.182 20 0 EGADRP Cc1nc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c(C)o1 ZINC000357799215 166776761 /nfs/dbraw/zinc/77/67/61/166776761.db2.gz VCSZJGNQJARLLG-AWEZNQCLSA-N 2 0 331.460 3.125 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000359232276 167102453 /nfs/dbraw/zinc/10/24/53/167102453.db2.gz IVEPIKFKXYEQFY-UGKGYDQZSA-N 2 0 336.479 3.339 20 0 EGADRP Cc1cccc(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000359427423 167154196 /nfs/dbraw/zinc/15/41/96/167154196.db2.gz XZWXRQDEBKAEMR-UHFFFAOYSA-N 2 0 334.508 3.041 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000359661995 167204672 /nfs/dbraw/zinc/20/46/72/167204672.db2.gz PZZDOJZRPABBBD-OPYAIIAOSA-N 2 0 348.531 3.447 20 0 EGADRP CC[NH+](CC)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)CC(C)C ZINC000359854519 167249546 /nfs/dbraw/zinc/24/95/46/167249546.db2.gz KNEPRWOEDKOICS-NRFANRHFSA-N 2 0 346.563 3.392 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000360717874 167396731 /nfs/dbraw/zinc/39/67/31/167396731.db2.gz KDSAZJGEIXQYGR-JKSUJKDBSA-N 2 0 348.560 3.355 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)c2ccccc2C1 ZINC000365800948 168045007 /nfs/dbraw/zinc/04/50/07/168045007.db2.gz ZOCWGDUNEDFAPY-PZJWPPBQSA-N 2 0 341.499 3.086 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccnn2C)c1 ZINC000367158824 168186845 /nfs/dbraw/zinc/18/68/45/168186845.db2.gz UKJLJYUURGHKMT-GOSISDBHSA-N 2 0 326.488 3.312 20 0 EGADRP CC(C)C(=O)NCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367374591 168216632 /nfs/dbraw/zinc/21/66/32/168216632.db2.gz KBERQEHZMQEXSM-UHFFFAOYSA-N 2 0 345.531 3.182 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)CC1 ZINC000367603464 168248131 /nfs/dbraw/zinc/24/81/31/168248131.db2.gz ZTGDIYQNGWCFSL-XLIONFOSSA-N 2 0 343.515 3.059 20 0 EGADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC000165185639 226113355 /nfs/dbraw/zinc/11/33/55/226113355.db2.gz NHHXUIJYYZTFFJ-INIZCTEOSA-N 2 0 330.476 3.084 20 0 EGADRP CCc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000123780164 222330944 /nfs/dbraw/zinc/33/09/44/222330944.db2.gz DJJNSWGPSJREKT-UHFFFAOYSA-N 2 0 339.483 3.346 20 0 EGADRP Cc1ncc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000177490824 265258963 /nfs/dbraw/zinc/25/89/63/265258963.db2.gz JBVDNFXSWRDNJV-HUUCEWRRSA-N 2 0 337.533 3.163 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000178854894 265345817 /nfs/dbraw/zinc/34/58/17/265345817.db2.gz OTAXPSSRXYDHNX-MOPGFXCFSA-N 2 0 337.552 3.158 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180455759 265403568 /nfs/dbraw/zinc/40/35/68/265403568.db2.gz JLGPZKWEDLAZOQ-IAGOWNOFSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000193727477 266055243 /nfs/dbraw/zinc/05/52/43/266055243.db2.gz UKYTVFXXXKBTLG-UHFFFAOYSA-N 2 0 332.492 3.133 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000228789933 266202060 /nfs/dbraw/zinc/20/20/60/266202060.db2.gz LWGQUNBCMIOIGJ-MRXNPFEDSA-N 2 0 327.513 3.096 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000228789948 266202444 /nfs/dbraw/zinc/20/24/44/266202444.db2.gz LWGQUNBCMIOIGJ-INIZCTEOSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@H](C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2)C[NH+]1CCCCC1 ZINC000237607756 266238644 /nfs/dbraw/zinc/23/86/44/266238644.db2.gz LNJOTSCWRCXSSX-IAGOWNOFSA-N 2 0 332.488 3.448 20 0 EGADRP [NH3+]C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000238043237 266252910 /nfs/dbraw/zinc/25/29/10/266252910.db2.gz IZHKQTVWOWAJCX-HXUWFJFHSA-N 2 0 337.467 3.354 20 0 EGADRP CCCC[C@H](COC)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000268880377 266284428 /nfs/dbraw/zinc/28/44/28/266284428.db2.gz MQBDHJMQMFCIJP-RTWAWAEBSA-N 2 0 348.531 3.227 20 0 EGADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000268880375 266284637 /nfs/dbraw/zinc/28/46/37/266284637.db2.gz MQBDHJMQMFCIJP-LEWJYISDSA-N 2 0 348.531 3.227 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000273254784 267006223 /nfs/dbraw/zinc/00/62/23/267006223.db2.gz DYDWHUIDUVMRQZ-ROUUACIJSA-N 2 0 346.515 3.464 20 0 EGADRP C[C@@H]([NH2+]CC1(CCO)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274948780 267310592 /nfs/dbraw/zinc/31/05/92/267310592.db2.gz UUJJRKYXKSEKEL-UYAOXDASSA-N 2 0 330.516 3.429 20 0 EGADRP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274966014 267312500 /nfs/dbraw/zinc/31/25/00/267312500.db2.gz XGZBIBVQTTZCGV-BFYDXBDKSA-N 2 0 344.421 3.454 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000275386797 267353850 /nfs/dbraw/zinc/35/38/50/267353850.db2.gz YDKLLKQTDAVPCZ-ACRUOGEOSA-N 2 0 330.516 3.221 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275721630 267413051 /nfs/dbraw/zinc/41/30/51/267413051.db2.gz NRQCPSLEBVZINB-HMXCVIKNSA-N 2 0 329.532 3.013 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(N2CCOCC2)c1 ZINC000278472676 268020952 /nfs/dbraw/zinc/02/09/52/268020952.db2.gz NYRGSDJXSZSSEB-QGZVFWFLSA-N 2 0 343.515 3.048 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CCCc1c(F)cccc1Cl ZINC000278474319 268021341 /nfs/dbraw/zinc/02/13/41/268021341.db2.gz IDPXZJVJRLAXFW-OAHLLOKOSA-N 2 0 341.902 3.027 20 0 EGADRP CN1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489190 268025013 /nfs/dbraw/zinc/02/50/13/268025013.db2.gz BIMZPVJQFWNTRU-BAGYTPMASA-N 2 0 341.543 3.361 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000179525064 274340589 /nfs/dbraw/zinc/34/05/89/274340589.db2.gz UGSIAESPZLVESR-UHQDVWGKSA-N 2 0 339.886 3.376 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110819258 275181538 /nfs/dbraw/zinc/18/15/38/275181538.db2.gz FUGHOHJFWDBYMA-INIZCTEOSA-N 2 0 339.321 3.484 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188614588 275218677 /nfs/dbraw/zinc/21/86/77/275218677.db2.gz WVRDSVGQTFQZJT-XJKSGUPXSA-N 2 0 336.442 3.323 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273092137 275245251 /nfs/dbraw/zinc/24/52/51/275245251.db2.gz RQXQJIMHPCOVQC-GOSISDBHSA-N 2 0 333.520 3.072 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279221795 275313779 /nfs/dbraw/zinc/31/37/79/275313779.db2.gz CWQNQIUXBLACOB-NHCUHLMSSA-N 2 0 326.484 3.159 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000283222309 275706229 /nfs/dbraw/zinc/70/62/29/275706229.db2.gz HYEXPNFFLNXBSE-NRFANRHFSA-N 2 0 345.531 3.152 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000284308019 275790410 /nfs/dbraw/zinc/79/04/10/275790410.db2.gz LEPMSCBYIQGUMW-XWPNQZOQSA-N 2 0 334.504 3.134 20 0 EGADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000286184305 275962619 /nfs/dbraw/zinc/96/26/19/275962619.db2.gz XGQUFBFVPZQEMW-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000286628635 276025096 /nfs/dbraw/zinc/02/50/96/276025096.db2.gz SLADVTISESDRKU-UHFFFAOYSA-N 2 0 347.894 3.051 20 0 EGADRP CN(C)C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000287197575 276095362 /nfs/dbraw/zinc/09/53/62/276095362.db2.gz WECYYNMTEVOLJT-IBGZPJMESA-N 2 0 342.462 3.082 20 0 EGADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000287765635 276155219 /nfs/dbraw/zinc/15/52/19/276155219.db2.gz MODMBGDLVJHYAU-DBVUQKKJSA-N 2 0 348.918 3.192 20 0 EGADRP CC1(C)CC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC(C)(C)[NH2+]1 ZINC000288047450 276178282 /nfs/dbraw/zinc/17/82/82/276178282.db2.gz DVSSKQWDLXRMIW-UHFFFAOYSA-N 2 0 343.515 3.321 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289338954 276324158 /nfs/dbraw/zinc/32/41/58/276324158.db2.gz WPXMKBCBJYDBQQ-HXUWFJFHSA-N 2 0 340.515 3.161 20 0 EGADRP CCCc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289374956 276329655 /nfs/dbraw/zinc/32/96/55/276329655.db2.gz BORQHNLVLPHIPB-UHFFFAOYSA-N 2 0 329.532 3.099 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000289993343 276431588 /nfs/dbraw/zinc/43/15/88/276431588.db2.gz OWKDVYJXRROIPZ-RTBURBONSA-N 2 0 329.488 3.042 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000292173986 276744914 /nfs/dbraw/zinc/74/49/14/276744914.db2.gz WEWICQHTHQMMKM-DLBZAZTESA-N 2 0 349.544 3.170 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccco2)CC1 ZINC000133166746 277113209 /nfs/dbraw/zinc/11/32/09/277113209.db2.gz KRSNTDWTPRBXKR-UHFFFAOYSA-N 2 0 333.863 3.017 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[NH+](C)C ZINC000106458473 277869820 /nfs/dbraw/zinc/86/98/20/277869820.db2.gz BIZGYDIFPMTESO-HXUWFJFHSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@@]1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCC[NH2+]C1 ZINC000237597895 278119263 /nfs/dbraw/zinc/11/92/63/278119263.db2.gz ZSCHHQCOSCSJQP-OAQYLSRUSA-N 2 0 343.515 3.069 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000358683079 279007302 /nfs/dbraw/zinc/00/73/02/279007302.db2.gz CUXRDNGOCCSQFU-PIKOESSRSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1)C(C)C ZINC000261872396 279235361 /nfs/dbraw/zinc/23/53/61/279235361.db2.gz SNFXUVZULIODGR-VQIMIIECSA-N 2 0 331.504 3.116 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc(=O)oc2c1 ZINC000261599469 281044673 /nfs/dbraw/zinc/04/46/73/281044673.db2.gz ASOPHNCBRKVNRP-GOSISDBHSA-N 2 0 326.440 3.065 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000375621405 289296766 /nfs/dbraw/zinc/29/67/66/289296766.db2.gz SHKLPNYMVRSECS-APWZRJJASA-N 2 0 339.524 3.050 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc(OC)c1OC ZINC000353463335 295018404 /nfs/dbraw/zinc/01/84/04/295018404.db2.gz QENPITYVDVOEKN-IUDNXUCKSA-N 2 0 336.476 3.236 20 0 EGADRP Cc1cccnc1[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000191574156 302243207 /nfs/dbraw/zinc/24/32/07/302243207.db2.gz WIEYEEACAOQZQB-IBGZPJMESA-N 2 0 332.536 3.093 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)CC(C)C ZINC000073638273 307387545 /nfs/dbraw/zinc/38/75/45/307387545.db2.gz MYOOTTSZGBZEAY-IBGZPJMESA-N 2 0 333.520 3.235 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070154 309058979 /nfs/dbraw/zinc/05/89/79/309058979.db2.gz SCZSJIYDYCRTLA-PKOBYXMFSA-N 2 0 335.923 3.203 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414124767 309062349 /nfs/dbraw/zinc/06/23/49/309062349.db2.gz CLNACVNBWPBFNJ-PXNSSMCTSA-N 2 0 339.483 3.133 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1F ZINC000154371159 307793536 /nfs/dbraw/zinc/79/35/36/307793536.db2.gz GIYQRQUIBLXRQO-OAHLLOKOSA-N 2 0 339.524 3.226 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154419014 307794257 /nfs/dbraw/zinc/79/42/57/307794257.db2.gz BKMLRLYYRUWEQZ-NRFANRHFSA-N 2 0 331.548 3.261 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000414341798 309073858 /nfs/dbraw/zinc/07/38/58/309073858.db2.gz ONTMCAHAAGPIDU-HXUWFJFHSA-N 2 0 343.515 3.052 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000248634891 308007959 /nfs/dbraw/zinc/00/79/59/308007959.db2.gz JYTGSWILJIJQIT-XKGZKEIXSA-N 2 0 334.504 3.481 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248674603 308009040 /nfs/dbraw/zinc/00/90/40/308009040.db2.gz WZPJIBSVSJEUPQ-MDZRGWNJSA-N 2 0 339.524 3.096 20 0 EGADRP COc1cccc2c1CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000249015422 308016959 /nfs/dbraw/zinc/01/69/59/308016959.db2.gz KBAMJVNCNSDFOV-SCTDSRPQSA-N 2 0 346.515 3.032 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000249087711 308018746 /nfs/dbraw/zinc/01/87/46/308018746.db2.gz GCDAHWRRHKDJMY-SFTDATJTSA-N 2 0 329.532 3.015 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293219701 308110573 /nfs/dbraw/zinc/11/05/73/308110573.db2.gz AHZFEARCATVDHU-IBGZPJMESA-N 2 0 348.487 3.015 20 0 EGADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CCc3nccn3C2)cc1 ZINC000293366596 308124318 /nfs/dbraw/zinc/12/43/18/308124318.db2.gz HRKNDTZCARGISP-GJYPPUQNSA-N 2 0 343.446 3.342 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCCn1ccnc1 ZINC000293769083 308160295 /nfs/dbraw/zinc/16/02/95/308160295.db2.gz PKVYTQQRJGGKSI-NSHDSACASA-N 2 0 326.263 3.374 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+](C)C ZINC000293807894 308163915 /nfs/dbraw/zinc/16/39/15/308163915.db2.gz VJQXDFBDFAHSKR-OLZOCXBDSA-N 2 0 345.409 3.210 20 0 EGADRP Cc1nn(C)cc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294029820 308184364 /nfs/dbraw/zinc/18/43/64/308184364.db2.gz VPENDOIXNAMIKN-UHFFFAOYSA-N 2 0 338.499 3.217 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)c1 ZINC000294178677 308197669 /nfs/dbraw/zinc/19/76/69/308197669.db2.gz JYFGKXVBIGCMKD-UHFFFAOYSA-N 2 0 347.466 3.085 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000414524019 309086290 /nfs/dbraw/zinc/08/62/90/309086290.db2.gz ZAYFOPZTAIYCKP-LMMKCTJWSA-N 2 0 345.531 3.120 20 0 EGADRP c1ccc2[nH]c(CCC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000294355952 308213426 /nfs/dbraw/zinc/21/34/26/308213426.db2.gz ZPRUZHSBUDEQQJ-UHFFFAOYSA-N 2 0 335.455 3.149 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000294724726 308249963 /nfs/dbraw/zinc/24/99/63/308249963.db2.gz CUVUHYRTOLSNPP-MIGBEJBISA-N 2 0 329.488 3.235 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000295184114 308300487 /nfs/dbraw/zinc/30/04/87/308300487.db2.gz NDZHQHCHDKAMEV-APWZRJJASA-N 2 0 339.483 3.240 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(F)ncc1F ZINC000295588543 308341230 /nfs/dbraw/zinc/34/12/30/308341230.db2.gz DZRCYDHUINBKCQ-RDTXWAMCSA-N 2 0 331.410 3.360 20 0 EGADRP COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414701223 309096297 /nfs/dbraw/zinc/09/62/97/309096297.db2.gz UKTOLGMJPGFJMO-KGLIPLIRSA-N 2 0 328.859 3.316 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC([NH3+])CC1)C1CCCCC1 ZINC000414718118 309097154 /nfs/dbraw/zinc/09/71/54/309097154.db2.gz VIZXUNFFXFYFGA-UHFFFAOYSA-N 2 0 344.503 3.406 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000414663915 309094353 /nfs/dbraw/zinc/09/43/53/309094353.db2.gz BTQRVJRPJWYHLY-DMDPSCGWSA-N 2 0 329.307 3.378 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414670753 309094674 /nfs/dbraw/zinc/09/46/74/309094674.db2.gz MMCQVAVYAMEFOM-SNRMKQJTSA-N 2 0 338.499 3.339 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414673109 309094926 /nfs/dbraw/zinc/09/49/26/309094926.db2.gz QGJDEVORNRXPCH-TZIWHRDSSA-N 2 0 329.532 3.015 20 0 EGADRP CCCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccccc1 ZINC000414718907 309097386 /nfs/dbraw/zinc/09/73/86/309097386.db2.gz ZWVFPMOKRVYBPK-ZWKOTPCHSA-N 2 0 331.504 3.047 20 0 EGADRP CCCCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000414769373 309099636 /nfs/dbraw/zinc/09/96/36/309099636.db2.gz NIOWMIGBCCLRPW-HDICACEKSA-N 2 0 332.488 3.306 20 0 EGADRP Fc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000414773754 309100065 /nfs/dbraw/zinc/10/00/65/309100065.db2.gz DZQPTYDSEBWLJE-OLZOCXBDSA-N 2 0 341.268 3.410 20 0 EGADRP CSc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000414777910 309100504 /nfs/dbraw/zinc/10/05/04/309100504.db2.gz IOTLCERJUOMYCG-HUUCEWRRSA-N 2 0 348.512 3.001 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414795308 309101961 /nfs/dbraw/zinc/10/19/61/309101961.db2.gz GNOZYXNZFXVHMF-RDTXWAMCSA-N 2 0 349.906 3.052 20 0 EGADRP CC(C)CCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414795422 309102008 /nfs/dbraw/zinc/10/20/08/309102008.db2.gz WRRIQFZKTBYYOH-RTWAWAEBSA-N 2 0 346.515 3.440 20 0 EGADRP CN(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298478522 308618017 /nfs/dbraw/zinc/61/80/17/308618017.db2.gz PICJSMORYGBJAT-FQEVSTJZSA-N 2 0 330.520 3.151 20 0 EGADRP NC(=O)c1c[nH+]ccc1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000302221824 308733925 /nfs/dbraw/zinc/73/39/25/308733925.db2.gz MOANKXOTBCUWDM-QGZVFWFLSA-N 2 0 344.846 3.083 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414842400 309105019 /nfs/dbraw/zinc/10/50/19/309105019.db2.gz BEZZZQSZCZHBSU-ZNMIVQPWSA-N 2 0 337.895 3.343 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000310059352 308763528 /nfs/dbraw/zinc/76/35/28/308763528.db2.gz XRUNFMZVLLDVJX-HOTGVXAUSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000310254083 308763607 /nfs/dbraw/zinc/76/36/07/308763607.db2.gz KXJWNDFWNPKMOO-NVXWUHKLSA-N 2 0 339.524 3.094 20 0 EGADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414846399 309105130 /nfs/dbraw/zinc/10/51/30/309105130.db2.gz HCGUSUXXROSFJL-AWEZNQCLSA-N 2 0 332.879 3.220 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414846883 309105330 /nfs/dbraw/zinc/10/53/30/309105330.db2.gz FIIWOOURPHQCGM-OCCSQVGLSA-N 2 0 328.403 3.164 20 0 EGADRP Cc1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333628654 308864246 /nfs/dbraw/zinc/86/42/46/308864246.db2.gz GFNVJQJVMSMHJE-YLJYHZDGSA-N 2 0 325.456 3.266 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000348684392 308883822 /nfs/dbraw/zinc/88/38/22/308883822.db2.gz PKIKLBNSVPFWJQ-JKSUJKDBSA-N 2 0 343.471 3.442 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400468143 308907535 /nfs/dbraw/zinc/90/75/35/308907535.db2.gz WVJHAKYDHOTJFQ-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP COC1(C)CC[NH+](CCC(C)CC[NH+]2CCC(C)(OC)CC2)CC1 ZINC000411487278 308941212 /nfs/dbraw/zinc/94/12/12/308941212.db2.gz VIRHGLYLAGDOIZ-UHFFFAOYSA-N 2 0 340.552 3.405 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC([NH+]4CCCC4)CC3)c2cc1OC ZINC000413060567 309013945 /nfs/dbraw/zinc/01/39/45/309013945.db2.gz KZDIBTHGOFGMPB-UHFFFAOYSA-N 2 0 341.455 3.317 20 0 EGADRP Cc1cc(Br)cc(C[NH2+][C@H](C)CC[NH3+])c1OC(F)F ZINC000414884797 309107174 /nfs/dbraw/zinc/10/71/74/309107174.db2.gz BHQKDYZJBKDIDV-SECBINFHSA-N 2 0 337.208 3.186 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414900321 309108178 /nfs/dbraw/zinc/10/81/78/309108178.db2.gz HAWKAIRRMYPRMW-UHFFFAOYSA-N 2 0 325.172 3.296 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000414918600 309109276 /nfs/dbraw/zinc/10/92/76/309109276.db2.gz UVYQXFFWXJOLFT-KDOFPFPSSA-N 2 0 337.895 3.345 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]C3(C)CC[NH2+]CC3)cc2)cs1 ZINC000414932596 309109927 /nfs/dbraw/zinc/10/99/27/309109927.db2.gz CWWLHCFFFBWYCM-UHFFFAOYSA-N 2 0 331.485 3.262 20 0 EGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414963274 309111828 /nfs/dbraw/zinc/11/18/28/309111828.db2.gz DAVVVGIULAUEFU-OAHLLOKOSA-N 2 0 349.906 3.066 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414972749 309112371 /nfs/dbraw/zinc/11/23/71/309112371.db2.gz MXQGXPUVUIBVMM-QGZVFWFLSA-N 2 0 335.923 3.426 20 0 EGADRP Fc1ccc(Br)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415004021 309113746 /nfs/dbraw/zinc/11/37/46/309113746.db2.gz HCMHKSPXXYNILV-DZGCQCFKSA-N 2 0 327.241 3.066 20 0 EGADRP COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415013270 309114192 /nfs/dbraw/zinc/11/41/92/309114192.db2.gz YKNUFGLNUNIWDY-FZMZJTMJSA-N 2 0 327.266 3.065 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OCC(C)C ZINC000415013000 309114290 /nfs/dbraw/zinc/11/42/90/309114290.db2.gz UFSMPMXKQWNJTJ-ZWKOTPCHSA-N 2 0 332.488 3.208 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000415018961 309114686 /nfs/dbraw/zinc/11/46/86/309114686.db2.gz HRMIAGXQPZMUNM-INIZCTEOSA-N 2 0 335.455 3.151 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000415036011 309115774 /nfs/dbraw/zinc/11/57/74/309115774.db2.gz KZUSAOIEUZLCME-SKDRFNHKSA-N 2 0 349.219 3.268 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cc2)cs1 ZINC000415034254 309115645 /nfs/dbraw/zinc/11/56/45/309115645.db2.gz JUKYOCIPZKFQMN-HOTGVXAUSA-N 2 0 331.485 3.248 20 0 EGADRP Clc1ccc(CCCC[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000415039418 309115960 /nfs/dbraw/zinc/11/59/60/309115960.db2.gz MXWAPPBSLNOBIT-AWEZNQCLSA-N 2 0 331.287 3.284 20 0 EGADRP c1ccc(CC(C[NH2+]C[C@H]2C[NH2+]CCCO2)Cc2ccccc2)cc1 ZINC000415051063 309116547 /nfs/dbraw/zinc/11/65/47/309116547.db2.gz ZJWAXGVLKFBSTJ-JOCHJYFZSA-N 2 0 338.495 3.056 20 0 EGADRP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415067819 309118040 /nfs/dbraw/zinc/11/80/40/309118040.db2.gz PXCFPNIPWFSALE-KRWDZBQOSA-N 2 0 344.455 3.282 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415084357 309119176 /nfs/dbraw/zinc/11/91/76/309119176.db2.gz OWSGUXVTPYJYAD-PKOBYXMFSA-N 2 0 326.488 3.315 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415122406 309121839 /nfs/dbraw/zinc/12/18/39/309121839.db2.gz JYYNHPLZBVWTJK-QAPCUYQASA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C1 ZINC000415128595 309122319 /nfs/dbraw/zinc/12/23/19/309122319.db2.gz SLZQJUHTYBEFCO-NVXWUHKLSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000415132836 309122801 /nfs/dbraw/zinc/12/28/01/309122801.db2.gz URALULKFWGGXPM-WMZOPIPTSA-N 2 0 325.456 3.077 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000415902762 309147244 /nfs/dbraw/zinc/14/72/44/309147244.db2.gz DGBKZDUDHJGOFT-UHFFFAOYSA-N 2 0 332.492 3.134 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415966844 309151799 /nfs/dbraw/zinc/15/17/99/309151799.db2.gz ARDHGTMVSDZBIR-HNNXBMFYSA-N 2 0 332.492 3.038 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000415977437 309152445 /nfs/dbraw/zinc/15/24/45/309152445.db2.gz YHCPQOBBAHHUME-INIZCTEOSA-N 2 0 346.519 3.428 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000416133900 309160207 /nfs/dbraw/zinc/16/02/07/309160207.db2.gz ILYNWRSBLSVTLL-MSOLQXFVSA-N 2 0 345.512 3.160 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000416171322 309162015 /nfs/dbraw/zinc/16/20/15/309162015.db2.gz PLJDCNQQRFVGTO-HXUWFJFHSA-N 2 0 343.515 3.203 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000416849659 309183748 /nfs/dbraw/zinc/18/37/48/309183748.db2.gz YNFYRGYUAKJQIO-OALUTQOASA-N 2 0 348.535 3.084 20 0 EGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000416962544 309188098 /nfs/dbraw/zinc/18/80/98/309188098.db2.gz AQMNTAGAEMOQPO-IBGZPJMESA-N 2 0 348.535 3.042 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417310569 309201157 /nfs/dbraw/zinc/20/11/57/309201157.db2.gz KLEMNMWKCGKQFM-ZJPYXAASSA-N 2 0 335.561 3.103 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417710821 309219198 /nfs/dbraw/zinc/21/91/98/309219198.db2.gz XVPFXSATSARSAU-RBUKOAKNSA-N 2 0 346.519 3.030 20 0 EGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417837061 309224480 /nfs/dbraw/zinc/22/44/80/309224480.db2.gz PJYQXEZUMMJOII-MOPGFXCFSA-N 2 0 339.483 3.091 20 0 EGADRP Clc1ccc(O[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420303418 309280555 /nfs/dbraw/zinc/28/05/55/309280555.db2.gz NIGNKRCJYCONQD-OCCSQVGLSA-N 2 0 329.271 3.446 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000420309958 309280963 /nfs/dbraw/zinc/28/09/63/309280963.db2.gz UNQGATBOWZPUCY-HNNXBMFYSA-N 2 0 330.394 3.402 20 0 EGADRP C[N@H+](CCOc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420317276 309281411 /nfs/dbraw/zinc/28/14/11/309281411.db2.gz MTUBQAOXXSNRTI-PBWFPOADSA-N 2 0 339.277 3.043 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000420323455 309282399 /nfs/dbraw/zinc/28/23/99/309282399.db2.gz UHVAJFOBXKEOKH-FKBYEOEOSA-N 2 0 338.495 3.015 20 0 EGADRP COC(=O)c1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)s1 ZINC000420324404 309282414 /nfs/dbraw/zinc/28/24/14/309282414.db2.gz ZQAFUFBXZUFCAQ-SJORKVTESA-N 2 0 344.480 3.017 20 0 EGADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420328918 309282596 /nfs/dbraw/zinc/28/25/96/309282596.db2.gz NLSAXYVTTZXJHH-HOTGVXAUSA-N 2 0 329.419 3.302 20 0 EGADRP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330559 309282703 /nfs/dbraw/zinc/28/27/03/309282703.db2.gz AUSRNHVGWBZSGS-ROUUACIJSA-N 2 0 325.456 3.472 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336648 309283007 /nfs/dbraw/zinc/28/30/07/309283007.db2.gz IZADOGIBMDCONK-MSOLQXFVSA-N 2 0 343.515 3.378 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336963 309283055 /nfs/dbraw/zinc/28/30/55/309283055.db2.gz MSTRFUWIOMYPHZ-YJBOKZPZSA-N 2 0 329.488 3.040 20 0 EGADRP Fc1cccc(-c2cnc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)o2)c1 ZINC000420341382 309283238 /nfs/dbraw/zinc/28/32/38/309283238.db2.gz VDHIAGSRWUXOLQ-KRWDZBQOSA-N 2 0 329.419 3.445 20 0 EGADRP CC(C)(C)c1cccc(OCC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420344626 309283461 /nfs/dbraw/zinc/28/34/61/309283461.db2.gz YHXGWJMDDVGRIH-UXHICEINSA-N 2 0 346.515 3.191 20 0 EGADRP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420345336 309283473 /nfs/dbraw/zinc/28/34/73/309283473.db2.gz VWJWWJOJZBZSJE-HUUCEWRRSA-N 2 0 346.862 3.212 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000420394465 309286141 /nfs/dbraw/zinc/28/61/41/309286141.db2.gz RPHATQJEORVHEI-MOPGFXCFSA-N 2 0 336.907 3.491 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000420985617 309305989 /nfs/dbraw/zinc/30/59/89/309305989.db2.gz WMTSFKWVHBDFBE-FQEVSTJZSA-N 2 0 343.559 3.500 20 0 EGADRP CCOc1ccccc1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421018340 309307985 /nfs/dbraw/zinc/30/79/85/309307985.db2.gz WZGLCXXGANLPLI-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP Cc1nn2c(C[NH2+]C3CCC([NH+](C)C)CC3)c(C(C)C)nc2s1 ZINC000421365414 309320653 /nfs/dbraw/zinc/32/06/53/309320653.db2.gz ALEQUACHFOTDCA-UHFFFAOYSA-N 2 0 335.521 3.185 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(C)c3F)CC2)CC1 ZINC000421366619 309320827 /nfs/dbraw/zinc/32/08/27/309320827.db2.gz CUSRLDGKWCPNAT-UHFFFAOYSA-N 2 0 333.495 3.126 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)CC1 ZINC000421372693 309321306 /nfs/dbraw/zinc/32/13/06/309321306.db2.gz LIJSMJNSCWPSPZ-PZJWPPBQSA-N 2 0 333.564 3.471 20 0 EGADRP Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000421380026 309321676 /nfs/dbraw/zinc/32/16/76/309321676.db2.gz VEFZAPXFUNTOHN-UHFFFAOYSA-N 2 0 330.451 3.189 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1Br ZINC000422993334 309379962 /nfs/dbraw/zinc/37/99/62/309379962.db2.gz FMMKMKXIKGREQG-WFASDCNBSA-N 2 0 325.294 3.444 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000422560166 309361618 /nfs/dbraw/zinc/36/16/18/309361618.db2.gz FYNVZCMERSQKAF-ZHALLVOQSA-N 2 0 339.483 3.466 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1OCc1ccncc1 ZINC000422698256 309363546 /nfs/dbraw/zinc/36/35/46/309363546.db2.gz YKAXOKCSVHVLRC-HZPDHXFCSA-N 2 0 343.471 3.447 20 0 EGADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)OCCCO2 ZINC000422709079 309364041 /nfs/dbraw/zinc/36/40/41/309364041.db2.gz YQGFOGILMJMFNC-FGTMMUONSA-N 2 0 330.472 3.248 20 0 EGADRP Clc1cc(Cl)cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422716475 309364618 /nfs/dbraw/zinc/36/46/18/309364618.db2.gz NFIGLOMPOLWWQS-GVDBMIGSSA-N 2 0 343.298 3.283 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422718775 309364639 /nfs/dbraw/zinc/36/46/39/309364639.db2.gz QAXYSIQIXODZME-CIAFKFPVSA-N 3 0 341.543 3.061 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1C[NH2+]C1 ZINC000422721342 309364763 /nfs/dbraw/zinc/36/47/63/309364763.db2.gz VCXYFCHIUKMUMH-QGZVFWFLSA-N 2 0 346.478 3.296 20 0 EGADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422719157 309364827 /nfs/dbraw/zinc/36/48/27/309364827.db2.gz XQSACBIOFCRSHY-WCRBZPEASA-N 3 0 327.516 3.435 20 0 EGADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721636 309364830 /nfs/dbraw/zinc/36/48/30/309364830.db2.gz VWEAJSRKTPYDQJ-QIJUGHKUSA-N 2 0 335.495 3.285 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422725929 309365062 /nfs/dbraw/zinc/36/50/62/309365062.db2.gz CPRALKLENWQRKA-BHYGNILZSA-N 2 0 343.298 3.283 20 0 EGADRP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422744559 309366342 /nfs/dbraw/zinc/36/63/42/309366342.db2.gz WGVVZZQLYURIBC-IPMKNSEASA-N 2 0 332.488 3.112 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422747693 309366510 /nfs/dbraw/zinc/36/65/10/309366510.db2.gz ZJYSYWPZAOJDPX-OXQOHEQNSA-N 2 0 338.499 3.164 20 0 EGADRP CCC[C@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccc1 ZINC000422755730 309366757 /nfs/dbraw/zinc/36/67/57/309366757.db2.gz GEHDYHSRWBPULU-AEFFLSMTSA-N 2 0 332.488 3.439 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422762170 309367021 /nfs/dbraw/zinc/36/70/21/309367021.db2.gz RXMALDVGWBSWQD-OXQOHEQNSA-N 2 0 336.483 3.283 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000422761888 309367071 /nfs/dbraw/zinc/36/70/71/309367071.db2.gz NCAOAXKBNBKKDM-SNRMKQJTSA-N 2 0 334.479 3.370 20 0 EGADRP COc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C ZINC000422764817 309367176 /nfs/dbraw/zinc/36/71/76/309367176.db2.gz QKYHMUDYWRHJBI-RXVVDRJESA-N 2 0 338.451 3.349 20 0 EGADRP C[C@@H]([NH2+]C1(CN[C@H](C)[C@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422765921 309367212 /nfs/dbraw/zinc/36/72/12/309367212.db2.gz PVGUMCCIJYNOQZ-QWFCFKBJSA-N 2 0 345.531 3.007 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774356 309367745 /nfs/dbraw/zinc/36/77/45/309367745.db2.gz WSEXBURWTUTDRE-LMNJBCLMSA-N 2 0 343.515 3.096 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422784378 309367995 /nfs/dbraw/zinc/36/79/95/309367995.db2.gz PNZIHKRSIUMJHO-UWJYYQICSA-N 3 0 345.531 3.027 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784717 309368045 /nfs/dbraw/zinc/36/80/45/309368045.db2.gz JBEMXDJFSGBLLY-APWZRJJASA-N 2 0 344.478 3.454 20 0 EGADRP Clc1cnc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422793329 309368630 /nfs/dbraw/zinc/36/86/30/309368630.db2.gz XZBVUPNSAQQGMZ-YUELXQCFSA-N 2 0 343.302 3.311 20 0 EGADRP COc1cccc(O[C@H](C)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422793818 309368692 /nfs/dbraw/zinc/36/86/92/309368692.db2.gz SWLRWZSVWZNBGA-JXXFODFXSA-N 2 0 328.456 3.011 20 0 EGADRP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000422795163 309368695 /nfs/dbraw/zinc/36/86/95/309368695.db2.gz ZSJSIFOVNSUTDC-FOIQADDNSA-N 2 0 326.488 3.111 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000422803696 309369326 /nfs/dbraw/zinc/36/93/26/309369326.db2.gz GFZUYNQOBXKKKN-GJZGRUSLSA-N 2 0 335.455 3.446 20 0 EGADRP c1ccc2c(c1)CCN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805185 309369350 /nfs/dbraw/zinc/36/93/50/309369350.db2.gz IREVOFCQRPNANA-BHIFYINESA-N 2 0 341.543 3.335 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccc(C)cc2)C2CC2)CC[NH2+]CC1 ZINC000422810239 309369538 /nfs/dbraw/zinc/36/95/38/309369538.db2.gz NBOUHQHHKGCHDI-VQIMIIECSA-N 2 0 344.499 3.357 20 0 EGADRP FC(F)(F)c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422809130 309369596 /nfs/dbraw/zinc/36/95/96/309369596.db2.gz PIPWOMDVUAEJQC-QJPTWQEYSA-N 2 0 333.423 3.215 20 0 EGADRP CCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000422814801 309369962 /nfs/dbraw/zinc/36/99/62/309369962.db2.gz WEAGDESUOUMMRP-FXAWDEMLSA-N 2 0 330.472 3.039 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000422819808 309370084 /nfs/dbraw/zinc/37/00/84/309370084.db2.gz IXDHLAXPMPAVMR-KZNAEPCWSA-N 2 0 336.907 3.364 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422829533 309370639 /nfs/dbraw/zinc/37/06/39/309370639.db2.gz USHPYHSKHIQQGB-HKUYNNGSSA-N 2 0 326.488 3.315 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422832562 309370927 /nfs/dbraw/zinc/37/09/27/309370927.db2.gz XYOJIYODJHVVOQ-RCCFBDPRSA-N 2 0 344.499 3.246 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422876913 309373382 /nfs/dbraw/zinc/37/33/82/309373382.db2.gz GRUZWOVOBGVFQH-MJGOQNOKSA-N 2 0 330.520 3.472 20 0 EGADRP Cc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)[NH+]2CCCC2)o1 ZINC000422880843 309373713 /nfs/dbraw/zinc/37/37/13/309373713.db2.gz OYPMIIDGKWINNX-FHWLQOOXSA-N 2 0 325.456 3.459 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422882343 309373921 /nfs/dbraw/zinc/37/39/21/309373921.db2.gz RZTKRVPBJYPBRK-QTXGHNMQSA-N 2 0 333.907 3.347 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(OC(F)F)c1 ZINC000422888168 309374230 /nfs/dbraw/zinc/37/42/30/309374230.db2.gz MITZZFSQWOFNMU-SWLSCSKDSA-N 2 0 328.403 3.294 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000422888498 309374477 /nfs/dbraw/zinc/37/44/77/309374477.db2.gz NBAUWFAPNMJHHV-UZLBHIALSA-N 2 0 339.483 3.233 20 0 EGADRP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422891444 309374649 /nfs/dbraw/zinc/37/46/49/309374649.db2.gz KNMLLNCZPFBFDE-HSALFYBXSA-N 2 0 343.515 3.227 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422892294 309374724 /nfs/dbraw/zinc/37/47/24/309374724.db2.gz MNQYVNBFQHLQBB-UHFFFAOYSA-N 3 0 333.520 3.014 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422902105 309375212 /nfs/dbraw/zinc/37/52/12/309375212.db2.gz CXOMKBQUDWOTQP-ZFWWWQNUSA-N 2 0 325.884 3.034 20 0 EGADRP c1ccc(SC2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422902477 309375272 /nfs/dbraw/zinc/37/52/72/309375272.db2.gz DHVXTPJLLNCSQI-RCCFBDPRSA-N 2 0 332.513 3.058 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422904002 309375342 /nfs/dbraw/zinc/37/53/42/309375342.db2.gz GHTGTWBHYPJESQ-YADHBBJMSA-N 3 0 343.559 3.438 20 0 EGADRP COc1ccc(COCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422904317 309375481 /nfs/dbraw/zinc/37/54/81/309375481.db2.gz GUHJYUQWURQIJZ-AQNXPRMDSA-N 2 0 332.488 3.112 20 0 EGADRP CN(C)c1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422915849 309375920 /nfs/dbraw/zinc/37/59/20/309375920.db2.gz ZGIIMOIBOBESSJ-NQIIRXRSSA-N 2 0 337.467 3.098 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000422940563 309377281 /nfs/dbraw/zinc/37/72/81/309377281.db2.gz HBKZRCBUNIIPDO-APWZRJJASA-N 2 0 325.456 3.474 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422963638 309378619 /nfs/dbraw/zinc/37/86/19/309378619.db2.gz JGMNHNOEFIXFBM-OXJNMPFZSA-N 2 0 326.488 3.091 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422961141 309378638 /nfs/dbraw/zinc/37/86/38/309378638.db2.gz ASEGIJRIPYYQGY-AWEZNQCLSA-N 2 0 335.455 3.100 20 0 EGADRP CCC(CC)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[NH+](C)C ZINC000422965682 309378756 /nfs/dbraw/zinc/37/87/56/309378756.db2.gz PJZOCPNQWHAYJN-ZJOUEHCJSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422977235 309379345 /nfs/dbraw/zinc/37/93/45/309379345.db2.gz WLIVGDUOXMGJHP-VQIMIIECSA-N 2 0 325.456 3.138 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000422987467 309379624 /nfs/dbraw/zinc/37/96/24/309379624.db2.gz IOZUAGPRFLDJBY-DJABAAGCSA-N 2 0 330.472 3.036 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422986170 309379673 /nfs/dbraw/zinc/37/96/73/309379673.db2.gz GOVDXHMPGHXAEO-IEBWSBKVSA-N 3 0 330.520 3.198 20 0 EGADRP C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCCC1)C1C[NH2+]C1 ZINC000422999373 309380245 /nfs/dbraw/zinc/38/02/45/309380245.db2.gz SKQAGNWAFIMTFY-ZDUSSCGKSA-N 2 0 337.305 3.458 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000423013634 309381065 /nfs/dbraw/zinc/38/10/65/309381065.db2.gz NCGWTZHFVOGUOB-AFYVEPGGSA-N 2 0 341.499 3.385 20 0 EGADRP COc1ccc(Oc2ccc(CC[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000423015520 309381210 /nfs/dbraw/zinc/38/12/10/309381210.db2.gz RIOHYPZYUFGHQP-UXHICEINSA-N 2 0 326.440 3.499 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423027686 309381742 /nfs/dbraw/zinc/38/17/42/309381742.db2.gz RSWFOQVUNYXWGT-LMMKCTJWSA-N 2 0 342.483 3.258 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423049465 309383084 /nfs/dbraw/zinc/38/30/84/309383084.db2.gz XRWWHUMEDJYSNI-ABAIWWIYSA-N 2 0 344.286 3.206 20 0 EGADRP Cn1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000423050127 309383263 /nfs/dbraw/zinc/38/32/63/309383263.db2.gz KULCSJXGQRATLZ-RYQLBKOJSA-N 2 0 326.488 3.016 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000423068257 309384323 /nfs/dbraw/zinc/38/43/23/309384323.db2.gz BIKJAJSIVDSRJW-HZUJVAHNSA-N 2 0 341.499 3.129 20 0 EGADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079606 309384811 /nfs/dbraw/zinc/38/48/11/309384811.db2.gz QZFSPVMLNQDBPP-CYBMUJFWSA-N 2 0 344.286 3.361 20 0 EGADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423094327 309385583 /nfs/dbraw/zinc/38/55/83/309385583.db2.gz JXISGLKNOYDGFT-HKUYMTLNSA-N 2 0 332.463 3.209 20 0 EGADRP C[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)C1C[NH2+]C1 ZINC000423106141 309386277 /nfs/dbraw/zinc/38/62/77/309386277.db2.gz OJVSBRWECMHCIX-SJCJKPOMSA-N 2 0 342.405 3.371 20 0 EGADRP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423109878 309386480 /nfs/dbraw/zinc/38/64/80/309386480.db2.gz TWQPVRGTTMNXDK-OKZBNKHCSA-N 2 0 347.890 3.041 20 0 EGADRP COc1cc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1Cl ZINC000423134359 309387569 /nfs/dbraw/zinc/38/75/69/309387569.db2.gz MAMIAGUBQBFWPH-RDTXWAMCSA-N 2 0 332.875 3.439 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423135312 309387860 /nfs/dbraw/zinc/38/78/60/309387860.db2.gz NMOQIZNUAUUDOY-WMLDXEAASA-N 2 0 334.533 3.032 20 0 EGADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423139096 309387973 /nfs/dbraw/zinc/38/79/73/309387973.db2.gz KHRKIQLAEFVVQR-VEDCXYSMSA-N 3 0 329.532 3.396 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC000423145157 309388131 /nfs/dbraw/zinc/38/81/31/309388131.db2.gz JJKGNXKFLHBWRM-FUHWJXTLSA-N 2 0 344.499 3.018 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000423185714 309389438 /nfs/dbraw/zinc/38/94/38/309389438.db2.gz VWXZHLIHBMFDIN-LJQANCHMSA-N 2 0 337.511 3.092 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423212711 309390727 /nfs/dbraw/zinc/39/07/27/309390727.db2.gz MDAOYXQUNURYCF-CVEARBPZSA-N 2 0 332.492 3.211 20 0 EGADRP COc1ccc([C@@H]([NH2+]CC[C@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000423225591 309391469 /nfs/dbraw/zinc/39/14/69/309391469.db2.gz NJQYREJZTWGDLC-NHYWBVRUSA-N 2 0 329.282 3.482 20 0 EGADRP COc1cc(OC)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423259575 309392829 /nfs/dbraw/zinc/39/28/29/309392829.db2.gz OICUJEGPXZZDLQ-CHWSQXEVSA-N 2 0 326.868 3.398 20 0 EGADRP C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268949 309393421 /nfs/dbraw/zinc/39/34/21/309393421.db2.gz VJIYXHSRTZZNCU-OXQOHEQNSA-N 2 0 333.520 3.185 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423274299 309393515 /nfs/dbraw/zinc/39/35/15/309393515.db2.gz LUNJRWCQHGRFGC-MJUUVYJYSA-N 3 0 329.532 3.122 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423274300 309393576 /nfs/dbraw/zinc/39/35/76/309393576.db2.gz LUNJRWCQHGRFGC-OYNPSCLESA-N 3 0 329.532 3.122 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423296644 309394259 /nfs/dbraw/zinc/39/42/59/309394259.db2.gz HESSMCNKZQRIGA-HOTGVXAUSA-N 2 0 338.455 3.159 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c2cccs2)CC1 ZINC000423299319 309394512 /nfs/dbraw/zinc/39/45/12/309394512.db2.gz BSRAUSQAAWZCGR-GVDBMIGSSA-N 2 0 349.544 3.025 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000423324723 309395109 /nfs/dbraw/zinc/39/51/09/309395109.db2.gz IFSOVTWRWOVUIU-PXNSSMCTSA-N 2 0 345.531 3.154 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)cc2)CC1 ZINC000423327305 309395306 /nfs/dbraw/zinc/39/53/06/309395306.db2.gz KCVGXGHVUQXFJH-LPHOPBHVSA-N 2 0 329.488 3.245 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000423340439 309396081 /nfs/dbraw/zinc/39/60/81/309396081.db2.gz JQHDZAWAASEMOO-BEFAXECRSA-N 2 0 325.456 3.047 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000423347223 309396333 /nfs/dbraw/zinc/39/63/33/309396333.db2.gz ZWRCYFKQKOIAPD-ZWOKBUDYSA-N 2 0 345.531 3.297 20 0 EGADRP COc1ccc(C[C@@H]([NH2+]CCCC[NH3+])c2ccc(OC)cc2)cc1 ZINC000423346626 309396485 /nfs/dbraw/zinc/39/64/85/309396485.db2.gz YZJPVHFQMXXHPP-HXUWFJFHSA-N 2 0 328.456 3.316 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000423358414 309396753 /nfs/dbraw/zinc/39/67/53/309396753.db2.gz NEEGSYAJLQDQDS-WOJBJXKFSA-N 2 0 349.563 3.255 20 0 EGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423364283 309397210 /nfs/dbraw/zinc/39/72/10/309397210.db2.gz BBLCSXSTYZJPLM-SOLBZPMBSA-N 2 0 331.504 3.092 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423375054 309397810 /nfs/dbraw/zinc/39/78/10/309397810.db2.gz IQDGIUOKYQPCGN-DNVCBOLYSA-N 2 0 330.472 3.282 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423383596 309397880 /nfs/dbraw/zinc/39/78/80/309397880.db2.gz KKZNDFTWAXKQJR-QGLKVJOYSA-N 3 0 327.516 3.147 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CCN1Cc1ccccc1 ZINC000423388193 309398230 /nfs/dbraw/zinc/39/82/30/309398230.db2.gz NFQFUGSBPSSKIV-VGSWGCGISA-N 2 0 335.495 3.433 20 0 EGADRP CCC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423390150 309398391 /nfs/dbraw/zinc/39/83/91/309398391.db2.gz OHPIGBGNTNGUHM-KGLIPLIRSA-N 2 0 335.439 3.015 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000423408186 309398941 /nfs/dbraw/zinc/39/89/41/309398941.db2.gz ODUQXBBNGUNAFN-OAHLLOKOSA-N 2 0 340.920 3.483 20 0 EGADRP CC1CC[NH+](CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(F)cc2)CC1 ZINC000423419129 309399413 /nfs/dbraw/zinc/39/94/13/309399413.db2.gz ALXPCAIAKAECMS-MHTWAQMVSA-N 2 0 345.506 3.186 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423427508 309400119 /nfs/dbraw/zinc/40/01/19/309400119.db2.gz FUYKFOBJULMKJH-ORPRQENYSA-N 2 0 342.462 3.359 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)nc1 ZINC000423545213 309406004 /nfs/dbraw/zinc/40/60/04/309406004.db2.gz OZBCJLNSWLFNFD-JSFADZTLSA-N 2 0 325.431 3.288 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423730362 309410858 /nfs/dbraw/zinc/41/08/58/309410858.db2.gz POCJRLQBVRNTPH-KZNAEPCWSA-N 2 0 335.536 3.150 20 0 EGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000423760819 309411797 /nfs/dbraw/zinc/41/17/97/309411797.db2.gz NTUBKBYUFKLMMR-LJQANCHMSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423797427 309413208 /nfs/dbraw/zinc/41/32/08/309413208.db2.gz MSYBDUHUWBJMGW-QUCCMNQESA-N 2 0 335.536 3.009 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CC3CC[NH2+]CC3)c2)CC1 ZINC000423843492 309416080 /nfs/dbraw/zinc/41/60/80/309416080.db2.gz KWSVEPWQZQIRLE-UHFFFAOYSA-N 2 0 343.515 3.289 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000424242042 309434153 /nfs/dbraw/zinc/43/41/53/309434153.db2.gz OMQXETOSOSNRQZ-UHFFFAOYSA-N 2 0 337.467 3.248 20 0 EGADRP COC(=O)CC1CC([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000424303446 309437481 /nfs/dbraw/zinc/43/74/81/309437481.db2.gz NZJIOQQHSJXAQZ-XYCLOBBJSA-N 2 0 344.499 3.074 20 0 EGADRP C[NH2+]CC1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000430934861 309621470 /nfs/dbraw/zinc/62/14/70/309621470.db2.gz QZFOIHGZVXGTRR-UHFFFAOYSA-N 2 0 330.394 3.406 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C[NH3+])C(C)C)c1ccccc1Cl ZINC000433133023 309679718 /nfs/dbraw/zinc/67/97/18/309679718.db2.gz HASNORUFKBKSEI-DOTOQJQBSA-N 2 0 339.911 3.070 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000435374156 309730264 /nfs/dbraw/zinc/73/02/64/309730264.db2.gz WMNUTHUMHBUOHY-GFCCVEGCSA-N 2 0 348.441 3.327 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC000436284927 309751813 /nfs/dbraw/zinc/75/18/13/309751813.db2.gz NCDAJKXEQZTVRF-FXAWDEMLSA-N 2 0 329.532 3.316 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447529238 309980916 /nfs/dbraw/zinc/98/09/16/309980916.db2.gz JQZUEOSTJACFSU-QMMLZNLJSA-N 2 0 329.532 3.487 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CSC[C@@H]3C)CC2)c1 ZINC000449071266 310034818 /nfs/dbraw/zinc/03/48/18/310034818.db2.gz GYUZCLDOWDRBDE-AZUAARDMSA-N 2 0 347.572 3.238 20 0 EGADRP CCOC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000449084232 310035620 /nfs/dbraw/zinc/03/56/20/310035620.db2.gz XCVTUGXXKZOGIS-HNNXBMFYSA-N 2 0 335.492 3.244 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449106458 310037541 /nfs/dbraw/zinc/03/75/41/310037541.db2.gz MFTFYAQZTRHQAB-OAHLLOKOSA-N 2 0 330.451 3.048 20 0 EGADRP C[C@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1 ZINC000449222705 310045752 /nfs/dbraw/zinc/04/57/52/310045752.db2.gz NCVGTLZGMKWPAV-CQSZACIVSA-N 2 0 349.425 3.194 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000449233763 310046483 /nfs/dbraw/zinc/04/64/83/310046483.db2.gz MXXDITHDOPKDCN-PMACEKPBSA-N 2 0 328.500 3.456 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)CC2)C1 ZINC000449505542 310067621 /nfs/dbraw/zinc/06/76/21/310067621.db2.gz JXMUTUZMJXPLSF-DVMWJLJYSA-N 2 0 334.548 3.416 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450459092 310123999 /nfs/dbraw/zinc/12/39/99/310123999.db2.gz ZOXGXXVQTHZDMQ-MRXNPFEDSA-N 2 0 340.895 3.281 20 0 EGADRP COc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000450603074 310132533 /nfs/dbraw/zinc/13/25/33/310132533.db2.gz SJDGHWPHYTYBFT-QILLFSRXSA-N 2 0 338.879 3.032 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)CC1 ZINC000451411076 310176666 /nfs/dbraw/zinc/17/66/66/310176666.db2.gz UMUXVAMKDRUOLZ-HOTGVXAUSA-N 2 0 335.458 3.065 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451697898 310192857 /nfs/dbraw/zinc/19/28/57/310192857.db2.gz IVADLDQVYMISFM-IMFGXOCKSA-N 2 0 325.456 3.164 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000451986392 310206626 /nfs/dbraw/zinc/20/66/26/310206626.db2.gz NGLDCCNKXNHWEE-HXUWFJFHSA-N 2 0 347.547 3.158 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000453058345 310254863 /nfs/dbraw/zinc/25/48/63/310254863.db2.gz KEZLOVZWJSVXMD-SFHVURJKSA-N 2 0 338.499 3.429 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CCCn1ccnc1)c1ccc(Cl)cc1 ZINC000453062562 310255258 /nfs/dbraw/zinc/25/52/58/310255258.db2.gz UIKDNWZRAYZDED-MRXNPFEDSA-N 2 0 329.835 3.039 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453128354 310259884 /nfs/dbraw/zinc/25/98/84/310259884.db2.gz MFHISHUNQWOULU-HXUWFJFHSA-N 2 0 349.563 3.172 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453173281 310262293 /nfs/dbraw/zinc/26/22/93/310262293.db2.gz OEAAPYFYJGSRCL-ONUIULTDSA-N 2 0 328.500 3.323 20 0 EGADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453184281 310262968 /nfs/dbraw/zinc/26/29/68/310262968.db2.gz UOFSWDDUMRKRCU-MJUUVYJYSA-N 2 0 330.516 3.428 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453208078 310264135 /nfs/dbraw/zinc/26/41/35/310264135.db2.gz AJWTZLVOHGDOTO-BQJUDKOJSA-N 2 0 328.500 3.038 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453350125 310272342 /nfs/dbraw/zinc/27/23/42/310272342.db2.gz PDNAZRZBVDUBIR-AQNXPRMDSA-N 2 0 328.500 3.182 20 0 EGADRP CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1C ZINC000455870263 310380361 /nfs/dbraw/zinc/38/03/61/310380361.db2.gz XADKCNLZPLTBHV-RTBURBONSA-N 2 0 344.503 3.039 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455937445 310382821 /nfs/dbraw/zinc/38/28/21/310382821.db2.gz SMPPAUJZQILYPK-SFHVURJKSA-N 2 0 332.492 3.089 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000456283283 310396443 /nfs/dbraw/zinc/39/64/43/310396443.db2.gz SKWHEISOMBDYKN-IBGZPJMESA-N 2 0 329.488 3.294 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000462117086 310595687 /nfs/dbraw/zinc/59/56/87/310595687.db2.gz AVAPPLSFGSDHIC-HNNXBMFYSA-N 2 0 345.314 3.361 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462917435 310607654 /nfs/dbraw/zinc/60/76/54/310607654.db2.gz SXUYFQIZRANYHE-GOSISDBHSA-N 2 0 329.532 3.460 20 0 EGADRP CC[C@H](CO)[NH+]1CCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)CC1 ZINC000462945014 310607844 /nfs/dbraw/zinc/60/78/44/310607844.db2.gz ODXLILUFLXQURB-MRXNPFEDSA-N 2 0 347.890 3.398 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000469309717 310702958 /nfs/dbraw/zinc/70/29/58/310702958.db2.gz OQNJYPDTPIPCOL-UXHICEINSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000477908469 310851498 /nfs/dbraw/zinc/85/14/98/310851498.db2.gz BKGTVZKUMWFFRX-GOSISDBHSA-N 3 0 347.547 3.400 20 0 EGADRP c1ccc(CCCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000480778927 310900675 /nfs/dbraw/zinc/90/06/75/310900675.db2.gz ZELLQYNGNWCPPA-UHFFFAOYSA-N 2 0 330.516 3.444 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000487181893 311014214 /nfs/dbraw/zinc/01/42/14/311014214.db2.gz BGDXVYRJMDTYRA-RLLQIKCJSA-N 2 0 345.531 3.305 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000488344809 311061656 /nfs/dbraw/zinc/06/16/56/311061656.db2.gz MMLFRXCEMUCMRN-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CS1 ZINC000488413336 311064406 /nfs/dbraw/zinc/06/44/06/311064406.db2.gz CLSQHRWYBQHKRR-MLHJIOFPSA-N 2 0 340.577 3.264 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC(CC)(CC)OC)CC1 ZINC000492227722 311228113 /nfs/dbraw/zinc/22/81/13/311228113.db2.gz RWNGXCRFFRHRSB-UHFFFAOYSA-N 2 0 333.520 3.123 20 0 EGADRP C[C@H](NCC[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349847 311240971 /nfs/dbraw/zinc/24/09/71/311240971.db2.gz HRDRHWJCGQGNOW-FPOVZHCZSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000492353042 311241007 /nfs/dbraw/zinc/24/10/07/311241007.db2.gz QLABYVNVVYVSQU-DYXWJJEUSA-N 2 0 329.532 3.219 20 0 EGADRP O=C(/C=C/c1ncc[nH]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000493145980 311333933 /nfs/dbraw/zinc/33/39/33/311333933.db2.gz FAAXAMKEOLBGHR-FYCOFBDGSA-N 2 0 344.846 3.030 20 0 EGADRP Fc1cncc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000494392041 311474497 /nfs/dbraw/zinc/47/44/97/311474497.db2.gz JVSLFVWUYCHNDT-UHFFFAOYSA-N 2 0 343.446 3.028 20 0 EGADRP Clc1csc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000494945786 311525038 /nfs/dbraw/zinc/52/50/38/311525038.db2.gz HCLCJYJUSGRHIJ-UHFFFAOYSA-N 2 0 328.909 3.336 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000495756381 311606688 /nfs/dbraw/zinc/60/66/88/311606688.db2.gz ZQXWDZVKAMWFMC-RDHHWEPZSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000496670370 311747615 /nfs/dbraw/zinc/74/76/15/311747615.db2.gz AZHPHQMPLYGODZ-KSZLIROESA-N 2 0 345.487 3.018 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000496884295 311779682 /nfs/dbraw/zinc/77/96/82/311779682.db2.gz NKXPNPNULPEUCW-MAUKXSAKSA-N 2 0 333.476 3.308 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000498347264 311881494 /nfs/dbraw/zinc/88/14/94/311881494.db2.gz WNEYIZULINFRSK-YLJYHZDGSA-N 2 0 345.531 3.495 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000498924755 311895950 /nfs/dbraw/zinc/89/59/50/311895950.db2.gz PCJKDNFWDHNGMB-SFHVURJKSA-N 2 0 338.536 3.456 20 0 EGADRP Cc1ccc(F)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000507697068 312080764 /nfs/dbraw/zinc/08/07/64/312080764.db2.gz FUBAPEXDTCIUNU-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722199 312100883 /nfs/dbraw/zinc/10/08/83/312100883.db2.gz RLASPVPVOSFYOW-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508901451 312105749 /nfs/dbraw/zinc/10/57/49/312105749.db2.gz YVXKNMVOBQOXBZ-IEBWSBKVSA-N 2 0 348.535 3.051 20 0 EGADRP CC(C)CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000511619463 312164490 /nfs/dbraw/zinc/16/44/90/312164490.db2.gz ZENPLHMPDJZVGJ-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1cc(C)cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000512697359 312192817 /nfs/dbraw/zinc/19/28/17/312192817.db2.gz QJFAFHYLADVNRD-BGYRXZFFSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000515385751 312280371 /nfs/dbraw/zinc/28/03/71/312280371.db2.gz ALVFIODBOZCESO-RLLQIKCJSA-N 2 0 349.563 3.397 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1OC ZINC000515556604 312289433 /nfs/dbraw/zinc/28/94/33/312289433.db2.gz LZSQXDYWTNOADQ-NVXWUHKLSA-N 2 0 334.504 3.263 20 0 EGADRP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc(NC3CC3)ncn2)CC1 ZINC000516646169 312334988 /nfs/dbraw/zinc/33/49/88/312334988.db2.gz BWPBHMGXIYOFKY-AWEZNQCLSA-N 2 0 338.459 3.083 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc12 ZINC000516878634 312347899 /nfs/dbraw/zinc/34/78/99/312347899.db2.gz QQHGTCLYWBNNMK-RHSMWYFYSA-N 2 0 341.503 3.019 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2ccccc21 ZINC000519401807 312452575 /nfs/dbraw/zinc/45/25/75/312452575.db2.gz HCAPORSBDCZPLN-UXHICEINSA-N 2 0 338.451 3.417 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)c2ccccc2)CC1 ZINC000521204784 312536017 /nfs/dbraw/zinc/53/60/17/312536017.db2.gz UBVIKFGWSJMVDX-VABKMULXSA-N 2 0 349.522 3.368 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(C(F)F)cc2)CC1 ZINC000527524423 312875176 /nfs/dbraw/zinc/87/51/76/312875176.db2.gz MPGUAMAEXAUBBG-UHFFFAOYSA-N 2 0 332.398 3.383 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2cccs2)CC1 ZINC000536132202 314095231 /nfs/dbraw/zinc/09/52/31/314095231.db2.gz QFDHPQWPZXGWDQ-UHFFFAOYSA-N 2 0 349.931 3.486 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000536848964 314149925 /nfs/dbraw/zinc/14/99/25/314149925.db2.gz XRYDCASYPVXFIS-CEXWTWQISA-N 2 0 334.891 3.295 20 0 EGADRP C[C@H]([NH2+]CCOc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000536877323 314152179 /nfs/dbraw/zinc/15/21/79/314152179.db2.gz PHWITALCIJDSIO-INIZCTEOSA-N 2 0 346.446 3.496 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000538307968 314239479 /nfs/dbraw/zinc/23/94/79/314239479.db2.gz GBBZEUNYCJVAMT-LJQANCHMSA-N 2 0 330.516 3.300 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)C ZINC000539394157 314310864 /nfs/dbraw/zinc/31/08/64/314310864.db2.gz JVVQGNUBYVERIB-MSOLQXFVSA-N 2 0 332.488 3.235 20 0 EGADRP C[C@H]1C[C@H]1c1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000539523705 314319265 /nfs/dbraw/zinc/31/92/65/314319265.db2.gz ZRNUAJXVXCOZQL-GOEBONIOSA-N 2 0 326.444 3.162 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000540139884 314364863 /nfs/dbraw/zinc/36/48/63/314364863.db2.gz GZXFGPRZMZOXNC-LNLFQRSKSA-N 2 0 326.488 3.371 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)[C@H](C)C1 ZINC000540157348 314366215 /nfs/dbraw/zinc/36/62/15/314366215.db2.gz WXMJZQZHUWMBPA-FCGDIQPGSA-N 2 0 340.552 3.307 20 0 EGADRP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc(C)c1F ZINC000540160831 314367124 /nfs/dbraw/zinc/36/71/24/314367124.db2.gz MJIBZNYCAMQSHA-KFKAGJAMSA-N 2 0 334.479 3.471 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548124629 314974708 /nfs/dbraw/zinc/97/47/08/314974708.db2.gz KLZLKLBRLHPECI-CJNGLKHVSA-N 2 0 339.911 3.226 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000552096370 315197055 /nfs/dbraw/zinc/19/70/55/315197055.db2.gz CNHYWDIOSSBCKX-UHFFFAOYSA-N 2 0 335.923 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098652 315198028 /nfs/dbraw/zinc/19/80/28/315198028.db2.gz KQNYLTFASRUXID-NRSPTQNISA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCC1)c1ccccc1 ZINC000553789478 315282724 /nfs/dbraw/zinc/28/27/24/315282724.db2.gz KTFNRPYAKAWIDS-SFHVURJKSA-N 2 0 345.531 3.498 20 0 EGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554049782 315295140 /nfs/dbraw/zinc/29/51/40/315295140.db2.gz BRWGABWBATXZTA-YADHBBJMSA-N 2 0 341.543 3.363 20 0 EGADRP CC[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)N1CCc2ccccc2C1 ZINC000554560881 315332497 /nfs/dbraw/zinc/33/24/97/315332497.db2.gz IQKAOCSRBIHCJH-VQTJNVASSA-N 2 0 328.500 3.372 20 0 EGADRP c1nc(C2CC2)sc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000554607116 315338625 /nfs/dbraw/zinc/33/86/25/315338625.db2.gz MGHIJTICZKVMAU-UHFFFAOYSA-N 2 0 349.544 3.345 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000554843380 315351883 /nfs/dbraw/zinc/35/18/83/315351883.db2.gz NSADPNNEPYFYAB-HXUWFJFHSA-N 2 0 329.532 3.363 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2nccn2Cc2ccccc2)c2ccccc21 ZINC000563528329 316033066 /nfs/dbraw/zinc/03/30/66/316033066.db2.gz XVCVEQQOYQETCA-PMACEKPBSA-N 2 0 332.451 3.208 20 0 EGADRP COc1ccc(C[N@H+](CCc2ccncc2C)[C@H](CO)C(C)C)cc1 ZINC000563532914 316033758 /nfs/dbraw/zinc/03/37/58/316033758.db2.gz WJCVYJFEUULCOX-OAQYLSRUSA-N 2 0 342.483 3.460 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCCn1ccnc1 ZINC000563688965 316056626 /nfs/dbraw/zinc/05/66/26/316056626.db2.gz CINKDWNFXJDTRM-UHFFFAOYSA-N 2 0 327.407 3.086 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319469 316135376 /nfs/dbraw/zinc/13/53/76/316135376.db2.gz SNOLSPAYLBNFMQ-JBACZVJFSA-N 2 0 329.532 3.217 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000564822543 316212670 /nfs/dbraw/zinc/21/26/70/316212670.db2.gz DOIIKKLCCZGDCZ-BHIYHBOVSA-N 2 0 344.503 3.193 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000564973724 316240225 /nfs/dbraw/zinc/24/02/25/316240225.db2.gz PHKRBNCQWCQCLU-QWHCGFSZSA-N 2 0 334.895 3.417 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000565082467 316262210 /nfs/dbraw/zinc/26/22/10/316262210.db2.gz DYZNCSCKWJACKD-ZGGTZUKQSA-N 2 0 341.499 3.139 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000565246204 316298962 /nfs/dbraw/zinc/29/89/62/316298962.db2.gz YVQAPYRTCKXVEC-LBPRGKRZSA-N 2 0 337.265 3.480 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000565476325 316329102 /nfs/dbraw/zinc/32/91/02/316329102.db2.gz IGPDJVMKJNTAER-BBRMVZONSA-N 2 0 346.437 3.175 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000565527106 316335911 /nfs/dbraw/zinc/33/59/11/316335911.db2.gz FKOMYXWLLGSNQX-FQEVSTJZSA-N 2 0 344.547 3.114 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000565690423 316355810 /nfs/dbraw/zinc/35/58/10/316355810.db2.gz TXBDLEIXEXEJKA-SYYKKAFVSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000565770156 316368098 /nfs/dbraw/zinc/36/80/98/316368098.db2.gz HHFSVZRIUWYHJP-GXTWGEPZSA-N 2 0 343.393 3.106 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)CN1CC[NH+](C)CC1 ZINC000567423913 316615254 /nfs/dbraw/zinc/61/52/54/316615254.db2.gz IHDBXCXTEPZVTL-PMACEKPBSA-N 2 0 343.559 3.360 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1Cl ZINC000178035931 454928989 /nfs/dbraw/zinc/92/89/89/454928989.db2.gz NMVVJQNVECMMBQ-ZNMIVQPWSA-N 2 0 325.884 3.275 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000570320885 317039186 /nfs/dbraw/zinc/03/91/86/317039186.db2.gz JBQYBTSASFFILN-OAHLLOKOSA-N 2 0 332.492 3.211 20 0 EGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cnccn2)CC1 ZINC000570536421 317071124 /nfs/dbraw/zinc/07/11/24/317071124.db2.gz LRBWCFAYNILQEF-UHFFFAOYSA-N 2 0 330.863 3.132 20 0 EGADRP COc1cc(C[N@H+](C)CCC[NH3+])ccc1OCc1ccc(F)cc1 ZINC000570841282 317115875 /nfs/dbraw/zinc/11/58/75/317115875.db2.gz DWICNIBXLQDBPE-UHFFFAOYSA-N 2 0 332.419 3.194 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000570918501 317126130 /nfs/dbraw/zinc/12/61/30/317126130.db2.gz RWNALQBVYQTBFL-ZCNNSNEGSA-N 2 0 345.531 3.472 20 0 EGADRP COCC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000571325838 317183225 /nfs/dbraw/zinc/18/32/25/317183225.db2.gz VCPNMMQMIHTJEY-HSALFYBXSA-N 2 0 328.500 3.303 20 0 EGADRP CC(C)C(C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000571769111 317245558 /nfs/dbraw/zinc/24/55/58/317245558.db2.gz PMZCNKFQFHRBHE-UHFFFAOYSA-N 2 0 332.536 3.112 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000572009957 317279050 /nfs/dbraw/zinc/27/90/50/317279050.db2.gz FHZLVVZPZSQBCV-HNAYVOBHSA-N 2 0 325.456 3.174 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000177870053 323346721 /nfs/dbraw/zinc/34/67/21/323346721.db2.gz RGFXADUSJZYPMT-DYESRHJHSA-N 2 0 340.515 3.433 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000177870165 323346887 /nfs/dbraw/zinc/34/68/87/323346887.db2.gz OBEIEOGPCHYGTL-CSODHUTKSA-N 2 0 340.515 3.432 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178412113 323356546 /nfs/dbraw/zinc/35/65/46/323356546.db2.gz VCLBQHAHTQIWLE-OAHLLOKOSA-N 2 0 330.476 3.107 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379665088 324240092 /nfs/dbraw/zinc/24/00/92/324240092.db2.gz RHRSWWJRAAAAJZ-MDNKFWRPSA-N 2 0 343.515 3.063 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000382325934 324249371 /nfs/dbraw/zinc/24/93/71/324249371.db2.gz LVXXBZFXYXADKZ-IRXDYDNUSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382731085 324252503 /nfs/dbraw/zinc/25/25/03/324252503.db2.gz BAKFVUDVFUGJOX-IEBWSBKVSA-N 2 0 345.531 3.134 20 0 EGADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)O1 ZINC000383747914 324257277 /nfs/dbraw/zinc/25/72/77/324257277.db2.gz ZCVISPXQAVXIOW-YSTOQKLRSA-N 2 0 328.500 3.444 20 0 EGADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000387482422 324271895 /nfs/dbraw/zinc/27/18/95/324271895.db2.gz WJUQGFITMYBTLU-OAHLLOKOSA-N 2 0 327.513 3.094 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000575052901 324405567 /nfs/dbraw/zinc/40/55/67/324405567.db2.gz ROSXRRXFFFLPFI-NRFANRHFSA-N 2 0 344.474 3.361 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000576304573 324587512 /nfs/dbraw/zinc/58/75/12/324587512.db2.gz GRIKHUSWWYVXGO-FQEVSTJZSA-N 2 0 341.503 3.039 20 0 EGADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCOCC[NH+](C)C)CCCO2 ZINC000576341283 324595542 /nfs/dbraw/zinc/59/55/42/324595542.db2.gz YNLITNKPWGFCTO-INIZCTEOSA-N 2 0 326.868 3.030 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc2s1 ZINC000578423027 324966543 /nfs/dbraw/zinc/96/65/43/324966543.db2.gz WTVQKJUXYMUXJY-QFBILLFUSA-N 2 0 345.512 3.323 20 0 EGADRP Cc1cc2ccccc2c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000578967538 325043480 /nfs/dbraw/zinc/04/34/80/325043480.db2.gz UJJQMSWSUVJZKR-UHFFFAOYSA-N 2 0 342.487 3.105 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000579129372 325067646 /nfs/dbraw/zinc/06/76/46/325067646.db2.gz WHCRCCNKRWHKCM-RBUKOAKNSA-N 3 0 327.472 3.271 20 0 EGADRP CC(C)c1[nH+]c(CN[C@H](C)C(=O)N2CCCC[C@H]2C)c2ccccn21 ZINC000579482529 325116760 /nfs/dbraw/zinc/11/67/60/325116760.db2.gz WMRIHYDMTFZTTM-HZPDHXFCSA-N 2 0 342.487 3.337 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cc2c1 ZINC000580297615 325230189 /nfs/dbraw/zinc/23/01/89/325230189.db2.gz MHKIOJUVVCPCIZ-OXQOHEQNSA-N 2 0 344.455 3.160 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000581059534 325325472 /nfs/dbraw/zinc/32/54/72/325325472.db2.gz DJCXWSVMTRRBPG-RBSFLKMASA-N 2 0 343.393 3.033 20 0 EGADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581412486 325358776 /nfs/dbraw/zinc/35/87/76/325358776.db2.gz QZBZUDNMSKPGMG-RDJZCZTQSA-N 2 0 347.507 3.060 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C ZINC000180707455 455231744 /nfs/dbraw/zinc/23/17/44/455231744.db2.gz BFOVVUUFIPVNES-DOMZBBRYSA-N 2 0 334.851 3.005 20 0 EGADRP CN(CC[N@H+](C)C/C=C/c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000189775197 455240107 /nfs/dbraw/zinc/24/01/07/455240107.db2.gz UUDRPKPPWYEDDX-SNAWJCMRSA-N 2 0 335.923 3.311 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180793159 455246546 /nfs/dbraw/zinc/24/65/46/455246546.db2.gz OEOJOHCDSUKZBM-KRWDZBQOSA-N 2 0 343.471 3.188 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000242389672 455271272 /nfs/dbraw/zinc/27/12/72/455271272.db2.gz ZZLFPKOPDFSOQE-HXUWFJFHSA-N 2 0 343.515 3.384 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845876 460578695 /nfs/dbraw/zinc/57/86/95/460578695.db2.gz MXBHYJVRSNJIKW-RDTXWAMCSA-N 2 0 327.476 3.042 20 0 EGADRP CC[N@H+](CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(C)C ZINC000081397529 453868990 /nfs/dbraw/zinc/86/89/90/453868990.db2.gz DUIFQBGLEXLYML-UHFFFAOYSA-N 2 0 326.444 3.285 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081568983 453888809 /nfs/dbraw/zinc/88/88/09/453888809.db2.gz XIEPYXRZLZAOOA-HNNXBMFYSA-N 2 0 337.895 3.332 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000081633624 453898786 /nfs/dbraw/zinc/89/87/86/453898786.db2.gz RJXIMCYTKLHMFA-INIZCTEOSA-N 2 0 349.906 3.332 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000067483148 453934809 /nfs/dbraw/zinc/93/48/09/453934809.db2.gz ZPEQTRTVMCAHDQ-HXUWFJFHSA-N 2 0 345.531 3.260 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000040622927 453953495 /nfs/dbraw/zinc/95/34/95/453953495.db2.gz FGMNHYJYBKFLTG-CQSZACIVSA-N 2 0 341.293 3.278 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000068353124 454019420 /nfs/dbraw/zinc/01/94/20/454019420.db2.gz CGLDHVCZINAOIN-ZDUSSCGKSA-N 2 0 340.393 3.321 20 0 EGADRP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524271 454064229 /nfs/dbraw/zinc/06/42/29/454064229.db2.gz HNPHTXNJWYSGGH-QGZVFWFLSA-N 2 0 343.515 3.018 20 0 EGADRP C[NH+](C)C1(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCCC1 ZINC000056527762 454065294 /nfs/dbraw/zinc/06/52/94/454065294.db2.gz SHPHLVPBLCEMTF-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000089135697 454123985 /nfs/dbraw/zinc/12/39/85/454123985.db2.gz QNUUMRBTQYXVEU-UHFFFAOYSA-N 2 0 347.503 3.095 20 0 EGADRP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888654 454155594 /nfs/dbraw/zinc/15/55/94/454155594.db2.gz FGMUMMBRKAHFPL-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000046438951 454252449 /nfs/dbraw/zinc/25/24/49/454252449.db2.gz UCEWDZNNIMHYMR-UHFFFAOYSA-N 2 0 340.899 3.077 20 0 EGADRP CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ncc[nH]2)c1 ZINC000120066341 454253838 /nfs/dbraw/zinc/25/38/38/454253838.db2.gz JDPXBPARGRNYDS-UHFFFAOYSA-N 2 0 338.415 3.100 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCCC2(C)C)cc1 ZINC000090038606 454265759 /nfs/dbraw/zinc/26/57/59/454265759.db2.gz KMNNGFGOWVYGCA-SFHVURJKSA-N 2 0 331.504 3.036 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[NH+](CC)CC)ccc21 ZINC000060271011 454275706 /nfs/dbraw/zinc/27/57/06/454275706.db2.gz MJMUDWHSGSIEEE-UHFFFAOYSA-N 2 0 344.503 3.263 20 0 EGADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132308634 454328799 /nfs/dbraw/zinc/32/87/99/454328799.db2.gz TVTYORKRFRLSPX-MJGOQNOKSA-N 2 0 333.520 3.008 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H](Cc2ccccc2)C2CC2)ccn1 ZINC000090936894 454351206 /nfs/dbraw/zinc/35/12/06/454351206.db2.gz DEOTUYKNRGNFPP-HXUWFJFHSA-N 2 0 339.483 3.133 20 0 EGADRP COc1cccc(C[C@@H]([NH2+]CCc2cn3ccccc3n2)C2CC2)c1 ZINC000121016565 454377548 /nfs/dbraw/zinc/37/75/48/454377548.db2.gz ZJMVGKRUZFPDKG-HXUWFJFHSA-N 2 0 335.451 3.496 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000047973594 454425786 /nfs/dbraw/zinc/42/57/86/454425786.db2.gz DXZSMWIJBMOUHB-QGZVFWFLSA-N 2 0 343.515 3.018 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000121374648 454426900 /nfs/dbraw/zinc/42/69/00/454426900.db2.gz WXAYXPKNUHMSCL-IRLDBZIGSA-N 2 0 345.575 3.425 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1)C1CCCCC1 ZINC000047976573 454427502 /nfs/dbraw/zinc/42/75/02/454427502.db2.gz GRRBZIBVDILQLZ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000121408097 454431724 /nfs/dbraw/zinc/43/17/24/454431724.db2.gz GKYOQVFEWBYTCQ-SIKLNZKXSA-N 2 0 343.559 3.179 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000073648298 454463049 /nfs/dbraw/zinc/46/30/49/454463049.db2.gz HLPPAYKROGDWCQ-QGZVFWFLSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000121727847 454469941 /nfs/dbraw/zinc/46/99/41/454469941.db2.gz ZRTCJJBMBRBGTJ-LJQANCHMSA-N 2 0 329.532 3.158 20 0 EGADRP c1nc(C2CCCC2)sc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134084243 454501370 /nfs/dbraw/zinc/50/13/70/454501370.db2.gz RQIPIRYXUIDXHO-UHFFFAOYSA-N 2 0 349.544 3.345 20 0 EGADRP C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)Cn1ccnc1 ZINC000080197740 454548581 /nfs/dbraw/zinc/54/85/81/454548581.db2.gz JWWCSMSWEQVTAY-GOSISDBHSA-N 2 0 328.504 3.267 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000122682168 454558082 /nfs/dbraw/zinc/55/80/82/454558082.db2.gz AROQFPZGYLSKLA-IBGZPJMESA-N 2 0 347.503 3.076 20 0 EGADRP CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246247535 455457373 /nfs/dbraw/zinc/45/73/73/455457373.db2.gz NNZZVLPWULTDSF-IAGOWNOFSA-N 2 0 331.504 3.065 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccsc1 ZINC000104144409 454576654 /nfs/dbraw/zinc/57/66/54/454576654.db2.gz XIAQPSJFCCSVGC-IRXDYDNUSA-N 2 0 337.533 3.122 20 0 EGADRP CC[C@H](C)N(C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000123197813 454614530 /nfs/dbraw/zinc/61/45/30/454614530.db2.gz KFQBOZBXTKTGSE-LSDHHAIUSA-N 2 0 329.488 3.354 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000134996504 454622175 /nfs/dbraw/zinc/62/21/75/454622175.db2.gz CQCTWRDAYKVSOY-UHFFFAOYSA-N 2 0 345.531 3.483 20 0 EGADRP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000135158953 454639597 /nfs/dbraw/zinc/63/95/97/454639597.db2.gz YJIOKEYBOPQVQH-MOPGFXCFSA-N 2 0 330.472 3.168 20 0 EGADRP FC(F)(F)c1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051959083 454642516 /nfs/dbraw/zinc/64/25/16/454642516.db2.gz KRYDQHBSRIVJOJ-UHFFFAOYSA-N 2 0 342.405 3.250 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051960022 454642879 /nfs/dbraw/zinc/64/28/79/454642879.db2.gz BQGKDRBSNLDHCK-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123809547 454678035 /nfs/dbraw/zinc/67/80/35/454678035.db2.gz TUOGJAMEFRRAGL-OXQOHEQNSA-N 2 0 340.467 3.281 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000123829127 454680111 /nfs/dbraw/zinc/68/01/11/454680111.db2.gz HTTFOUAXOBLPEL-OXQOHEQNSA-N 2 0 340.467 3.281 20 0 EGADRP Cn1ccc([C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)n1 ZINC000635004410 460648354 /nfs/dbraw/zinc/64/83/54/460648354.db2.gz IHYGTYJLLTXFQO-OWQGQXMQSA-N 2 0 332.879 3.270 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152652213 454706185 /nfs/dbraw/zinc/70/61/85/454706185.db2.gz XZLFZFIRXVMOFG-CZUORRHYSA-N 2 0 337.895 3.297 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000093405496 454712903 /nfs/dbraw/zinc/71/29/03/454712903.db2.gz VXXNFYMPPQPKMS-WMZOPIPTSA-N 2 0 349.544 3.156 20 0 EGADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnc2ccsc2c1 ZINC000635006065 460649753 /nfs/dbraw/zinc/64/97/53/460649753.db2.gz APHZLDSJMVMVGG-ZDUSSCGKSA-N 2 0 339.468 3.274 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000161901284 454734329 /nfs/dbraw/zinc/73/43/29/454734329.db2.gz GSHHFJSQFQDGDL-FZDIXFNVSA-N 2 0 332.488 3.091 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000162162690 454755694 /nfs/dbraw/zinc/75/56/94/454755694.db2.gz FXWMPLCUJXFKOS-BBRMVZONSA-N 2 0 337.305 3.411 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635010702 460653399 /nfs/dbraw/zinc/65/33/99/460653399.db2.gz UYVGQPDGOBZTIX-DRCTWCGVSA-N 2 0 336.785 3.201 20 0 EGADRP c1cc2c(cc1[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CC1)OCCO2 ZINC000162452810 454776644 /nfs/dbraw/zinc/77/66/44/454776644.db2.gz IRDIRNKOBQYHKN-HXUWFJFHSA-N 2 0 330.472 3.375 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c2ccccc12 ZINC000162502723 454779676 /nfs/dbraw/zinc/77/96/76/454779676.db2.gz WYSZWHWKPWOPSZ-KRWDZBQOSA-N 2 0 341.499 3.137 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000162530500 454782135 /nfs/dbraw/zinc/78/21/35/454782135.db2.gz NALYHMNOWCIEHD-LJQANCHMSA-N 2 0 335.923 3.335 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1NC(C)=O ZINC000635010717 460654372 /nfs/dbraw/zinc/65/43/72/460654372.db2.gz KZXKTGDSDWFRLC-CJNGLKHVSA-N 2 0 333.476 3.082 20 0 EGADRP CCCc1cc(N2CCC([N@H+](C)CCCO)CC2)c2ccccc2[nH+]1 ZINC000125207537 454804847 /nfs/dbraw/zinc/80/48/47/454804847.db2.gz ROOAUAWDZUUUQK-UHFFFAOYSA-N 2 0 341.499 3.470 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000163032298 454818280 /nfs/dbraw/zinc/81/82/80/454818280.db2.gz RYVMYWNGOSKCAO-KURKYZTESA-N 2 0 339.593 3.056 20 0 EGADRP c1ccc2c(c1)CCN2CC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000153688640 454821235 /nfs/dbraw/zinc/82/12/35/454821235.db2.gz CTBUVQUEMSGNBN-UHFFFAOYSA-N 2 0 327.516 3.247 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000125735565 454843243 /nfs/dbraw/zinc/84/32/43/454843243.db2.gz SOBIBVVFGMZKDZ-RBUKOAKNSA-N 3 0 347.547 3.398 20 0 EGADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000177450830 454864519 /nfs/dbraw/zinc/86/45/19/454864519.db2.gz JXVDVBXZTTVUGQ-SFHVURJKSA-N 2 0 345.531 3.408 20 0 EGADRP C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164300481 454879084 /nfs/dbraw/zinc/87/90/84/454879084.db2.gz MLMJMWDNYRGKIZ-QFBILLFUSA-N 2 0 340.467 3.281 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000164744865 454888332 /nfs/dbraw/zinc/88/83/32/454888332.db2.gz QNMJFZCVBPXKBM-VQTJNVASSA-N 2 0 345.531 3.442 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780210 454891605 /nfs/dbraw/zinc/89/16/05/454891605.db2.gz RKSSTCSTLVVZGA-HUUCEWRRSA-N 2 0 335.879 3.085 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000126421277 454892610 /nfs/dbraw/zinc/89/26/10/454892610.db2.gz KQRIAAGCBGEEMF-NQIIRXRSSA-N 3 0 329.532 3.491 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000154453671 454898112 /nfs/dbraw/zinc/89/81/12/454898112.db2.gz WTDBMVSHWLUTIX-IBGZPJMESA-N 2 0 331.548 3.360 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)[C@H](C)C1 ZINC000165632653 454901493 /nfs/dbraw/zinc/90/14/93/454901493.db2.gz CMVBJBYEFPNKKQ-MOPGFXCFSA-N 2 0 340.552 3.046 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000166042670 454907575 /nfs/dbraw/zinc/90/75/75/454907575.db2.gz LNNQSPKPPCIAJX-HIFRSBDPSA-N 2 0 328.884 3.356 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1F ZINC000150967263 454919346 /nfs/dbraw/zinc/91/93/46/454919346.db2.gz UQXMNGSXCUMYFF-AWEZNQCLSA-N 2 0 339.524 3.224 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC[N@@H+]1C ZINC000177917731 454919653 /nfs/dbraw/zinc/91/96/53/454919653.db2.gz SPJLEVANDMGAON-YJBOKZPZSA-N 2 0 336.907 3.461 20 0 EGADRP O[C@H](CN[C@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCCC1 ZINC000151346872 454971917 /nfs/dbraw/zinc/97/19/17/454971917.db2.gz GWPOACDVLYPEJW-WBMJQRKESA-N 2 0 343.298 3.417 20 0 EGADRP O[C@@H](CN[C@@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCCC1 ZINC000151346673 454972054 /nfs/dbraw/zinc/97/20/54/454972054.db2.gz GWPOACDVLYPEJW-BLLLJJGKSA-N 2 0 343.298 3.417 20 0 EGADRP c1ccc(-c2noc([C@@H]3CCCC[N@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000178971932 454994665 /nfs/dbraw/zinc/99/46/65/454994665.db2.gz SSJMDABOGKEOME-KRWDZBQOSA-N 2 0 326.444 3.263 20 0 EGADRP COCc1cccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000179208064 455019620 /nfs/dbraw/zinc/01/96/20/455019620.db2.gz OXUXKQHEFSESEF-ROUUACIJSA-N 2 0 346.515 3.154 20 0 EGADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000155585855 455019768 /nfs/dbraw/zinc/01/97/68/455019768.db2.gz GHDIOODHDNCGJL-YLJYHZDGSA-N 2 0 333.520 3.152 20 0 EGADRP Fc1cc(Br)cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128120040 455026775 /nfs/dbraw/zinc/02/67/75/455026775.db2.gz RPHOUFZAMJVDHD-LSDHHAIUSA-N 2 0 327.241 3.305 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000128445034 455057107 /nfs/dbraw/zinc/05/71/07/455057107.db2.gz YDJAYNZJJRPVDU-CQSZACIVSA-N 2 0 327.875 3.157 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000129267351 455104571 /nfs/dbraw/zinc/10/45/71/455104571.db2.gz UVWVDUPHZSHFLS-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000156504900 455126252 /nfs/dbraw/zinc/12/62/52/455126252.db2.gz GEEORODREJNUKF-LJQANCHMSA-N 2 0 338.499 3.335 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000180439178 455169951 /nfs/dbraw/zinc/16/99/51/455169951.db2.gz DJMCIEKOBXAGAR-QUCCMNQESA-N 2 0 349.588 3.276 20 0 EGADRP CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000263964954 455174286 /nfs/dbraw/zinc/17/42/86/455174286.db2.gz RETZCBYARSVGFV-INIZCTEOSA-N 2 0 349.544 3.150 20 0 EGADRP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000237411864 455183417 /nfs/dbraw/zinc/18/34/17/455183417.db2.gz YFJXDJQFQBUJLF-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CC(=O)Nc1nc(CN[C@@H](C)c2cccc(-n3ccnc3)c2)cs1 ZINC000180651994 455218509 /nfs/dbraw/zinc/21/85/09/455218509.db2.gz VWDILAFKHWQKLB-LBPRGKRZSA-N 2 0 341.440 3.138 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000158207486 455279990 /nfs/dbraw/zinc/27/99/90/455279990.db2.gz OETLBTHEHCIFJH-UHFFFAOYSA-N 2 0 344.547 3.148 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730000 455325773 /nfs/dbraw/zinc/32/57/73/455325773.db2.gz XXRZZPYTEUZZOC-HOCLYGCPSA-N 2 0 346.862 3.306 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000158834195 455331275 /nfs/dbraw/zinc/33/12/75/455331275.db2.gz XSCLOLQPNMVUCV-QUCCMNQESA-N 2 0 338.536 3.159 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245606426 455340143 /nfs/dbraw/zinc/34/01/43/455340143.db2.gz NHRYMRIKZVLFFW-JTDSTZFVSA-N 2 0 340.471 3.356 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181501556 455345332 /nfs/dbraw/zinc/34/53/32/455345332.db2.gz KVJVLUSUDLDPOX-HZPDHXFCSA-N 2 0 345.487 3.118 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1(CC)CC ZINC000181660275 455369835 /nfs/dbraw/zinc/36/98/35/455369835.db2.gz FXHQOJWKRHYRKE-ROUUACIJSA-N 2 0 326.525 3.061 20 0 EGADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000184485974 455388001 /nfs/dbraw/zinc/38/80/01/455388001.db2.gz ALDAYYFXJPBEDL-DYESRHJHSA-N 2 0 339.483 3.198 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000245908890 455397023 /nfs/dbraw/zinc/39/70/23/455397023.db2.gz URLSOGZTTCPJAD-OBZTUIKSSA-N 2 0 344.499 3.235 20 0 EGADRP CC[C@@]1(C)C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000191148434 455452812 /nfs/dbraw/zinc/45/28/12/455452812.db2.gz YOAYFOAPSFZETI-NRFANRHFSA-N 2 0 345.531 3.218 20 0 EGADRP C[C@H](C(=O)NCC1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247027008 455547206 /nfs/dbraw/zinc/54/72/06/455547206.db2.gz YDIPTMCRSMYJIF-KPFFTGBYSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000601019074 460677763 /nfs/dbraw/zinc/67/77/63/460677763.db2.gz GRAZZTPWHGAIDT-HKUYNNGSSA-N 2 0 345.531 3.497 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247127510 455563597 /nfs/dbraw/zinc/56/35/97/455563597.db2.gz RNEWWALFUONOAF-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708327 455601983 /nfs/dbraw/zinc/60/19/83/455601983.db2.gz SEVKRNZLZHXBJN-LPMFXHHGSA-N 2 0 338.442 3.241 20 0 EGADRP COc1ccc(OCC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185758704 455615715 /nfs/dbraw/zinc/61/57/15/455615715.db2.gz ISOZWNCKUMYNII-SJORKVTESA-N 2 0 332.488 3.317 20 0 EGADRP Cc1cc2cc(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)oc2cc1C ZINC000185866272 455637119 /nfs/dbraw/zinc/63/71/19/455637119.db2.gz SRRDXAIXQBCOSE-QGZVFWFLSA-N 2 0 329.488 3.165 20 0 EGADRP CN(c1ccccc1C[NH2+]Cc1ccc(O)cc1)C1CC[NH+](C)CC1 ZINC000268332885 455653369 /nfs/dbraw/zinc/65/33/69/455653369.db2.gz IYTOPQBESJQQPG-UHFFFAOYSA-N 2 0 339.483 3.212 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C2CC2)c1 ZINC000271523953 455671979 /nfs/dbraw/zinc/67/19/79/455671979.db2.gz PUACWTUQOZRXMY-BDTNDASRSA-N 2 0 342.527 3.284 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000192791358 455693495 /nfs/dbraw/zinc/69/34/95/455693495.db2.gz YGVUFSDCHRCSMK-NRFANRHFSA-N 2 0 329.532 3.013 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1(C)C ZINC000248827340 455732937 /nfs/dbraw/zinc/73/29/37/455732937.db2.gz MCSRHANEZVJMAB-XLAORIBOSA-N 2 0 326.525 3.058 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(F)cc1F ZINC000193003483 455733679 /nfs/dbraw/zinc/73/36/79/455733679.db2.gz APZLOJIMXDJQOY-IBGZPJMESA-N 2 0 339.474 3.422 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000268995190 455757858 /nfs/dbraw/zinc/75/78/58/455757858.db2.gz XIWCSUGILAIHSB-YZVUTKTQSA-N 2 0 328.500 3.447 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCn1ccnc1 ZINC000249487986 455758390 /nfs/dbraw/zinc/75/83/90/455758390.db2.gz URISGUPAKDVOJI-RUYXUALKSA-N 2 0 326.488 3.019 20 0 EGADRP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C2CC2)cc1 ZINC000271791331 455761389 /nfs/dbraw/zinc/76/13/89/455761389.db2.gz WPCUQJMIXNOHJA-HBMCJLEFSA-N 2 0 328.500 3.414 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000269032356 455768830 /nfs/dbraw/zinc/76/88/30/455768830.db2.gz UOWKBMTWXURBHY-VQTJNVASSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(N2CCOCC2)c1 ZINC000269037460 455771290 /nfs/dbraw/zinc/77/12/90/455771290.db2.gz FTWCZBJHCIBWAE-QXAKKESOSA-N 2 0 331.504 3.047 20 0 EGADRP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000249767333 455774504 /nfs/dbraw/zinc/77/45/04/455774504.db2.gz QFBNXRVRGUJYTN-ZWKOTPCHSA-N 2 0 345.531 3.311 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CSCCS2)CC[N@@H+]1Cc1ccccc1 ZINC000269066146 455780272 /nfs/dbraw/zinc/78/02/72/455780272.db2.gz LLECIFZBPUSVJC-NXHRZFHOSA-N 2 0 336.570 3.478 20 0 EGADRP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000271840886 455782560 /nfs/dbraw/zinc/78/25/60/455782560.db2.gz GQNXTOSXIMBMLR-VQIMIIECSA-N 2 0 334.504 3.075 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCO[C@H](C)C3)CC2)c1 ZINC000271845901 455784452 /nfs/dbraw/zinc/78/44/52/455784452.db2.gz LQJAUHSFHIXWMW-UXHICEINSA-N 2 0 345.531 3.054 20 0 EGADRP CSc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000186568415 455796321 /nfs/dbraw/zinc/79/63/21/455796321.db2.gz JCDQSFBNUSIUDK-CABCVRRESA-N 2 0 339.524 3.224 20 0 EGADRP C[N@H+](Cc1ccccc1C[NH2+]C1CCN(C=O)CC1)C1CCCCC1 ZINC000278292644 455808569 /nfs/dbraw/zinc/80/85/69/455808569.db2.gz RBCSFMKEGANNSE-UHFFFAOYSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)C[C@@H](C)O1 ZINC000278299309 455810714 /nfs/dbraw/zinc/81/07/14/455810714.db2.gz CKXZIKSDIBZGJD-MDZRGWNJSA-N 2 0 334.529 3.139 20 0 EGADRP CC(C)N1CC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000252498283 455814525 /nfs/dbraw/zinc/81/45/25/455814525.db2.gz QXJSNWSYLYFASM-MHJFOBGBSA-N 2 0 343.515 3.029 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@H]45)[C@H]3C2)cc1 ZINC000253233051 455831973 /nfs/dbraw/zinc/83/19/73/455831973.db2.gz LQAXPGPFUIIMPX-GCOBIYGJSA-N 2 0 340.511 3.444 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285683225 455895851 /nfs/dbraw/zinc/89/58/51/455895851.db2.gz OAVOTUCTOMHWEA-INIZCTEOSA-N 2 0 345.487 3.180 20 0 EGADRP CCN(CCCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000261603371 455910931 /nfs/dbraw/zinc/91/09/31/455910931.db2.gz CCFAEFUJNSAFDS-IBGZPJMESA-N 2 0 325.456 3.028 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261605471 455911331 /nfs/dbraw/zinc/91/13/31/455911331.db2.gz COOJTWZIOZWLLU-HNONPPJISA-N 2 0 330.476 3.139 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Br)c4cccnc34)C[C@@H]12 ZINC000261612663 455913699 /nfs/dbraw/zinc/91/36/99/455913699.db2.gz FEAGHVSYXSZCDQ-SGIREYDYSA-N 2 0 346.272 3.166 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272332336 455916868 /nfs/dbraw/zinc/91/68/68/455916868.db2.gz NEORSPMJMRHIHI-JTDSTZFVSA-N 2 0 326.488 3.290 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)[C@@H]2CCCC[C@@H]12 ZINC000261638277 455918311 /nfs/dbraw/zinc/91/83/11/455918311.db2.gz FLRSYXPZHWQLTO-FLFBIERCSA-N 2 0 349.563 3.170 20 0 EGADRP CCCOc1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000261695886 455929766 /nfs/dbraw/zinc/92/97/66/455929766.db2.gz LCWSQTXXAWXSSB-RBUKOAKNSA-N 2 0 340.467 3.411 20 0 EGADRP CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261731064 455937083 /nfs/dbraw/zinc/93/70/83/455937083.db2.gz KWHMWFUMVMEUOK-FRYIKTPZSA-N 2 0 343.515 3.188 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261745238 455939214 /nfs/dbraw/zinc/93/92/14/455939214.db2.gz PQFJCGRRRIMIBW-HRAATJIYSA-N 2 0 337.467 3.351 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)o1 ZINC000261763203 455943157 /nfs/dbraw/zinc/94/31/57/455943157.db2.gz RIUXYTFUKNYLOR-AEFFLSMTSA-N 2 0 336.439 3.152 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188006914 455980225 /nfs/dbraw/zinc/98/02/25/455980225.db2.gz AKNHZPRLQLIPEZ-VCBZYWHSSA-N 2 0 335.923 3.016 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188060040 455988844 /nfs/dbraw/zinc/98/88/44/455988844.db2.gz RLNPIGWIGFRMQA-AWEZNQCLSA-N 2 0 327.428 3.365 20 0 EGADRP CCc1noc(C)c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280613762 456013393 /nfs/dbraw/zinc/01/33/93/456013393.db2.gz XVOCZNWOUAHZOI-HDICACEKSA-N 2 0 325.456 3.109 20 0 EGADRP COc1ccc(CC[C@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)cc1OC ZINC000262236807 456015327 /nfs/dbraw/zinc/01/53/27/456015327.db2.gz OOHAROIWOLZOET-LJQANCHMSA-N 2 0 346.515 3.491 20 0 EGADRP C[C@H]1C[C@H](N2CCOCC2)CN1c1ccnc2c(Cl)cccc12 ZINC000286385744 456037641 /nfs/dbraw/zinc/03/76/41/456037641.db2.gz OSGGSGHNXZTNET-KBPBESRZSA-N 2 0 331.847 3.188 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000280802104 456054618 /nfs/dbraw/zinc/05/46/18/456054618.db2.gz HLCJLURVILMJTO-IKGGRYGDSA-N 2 0 337.939 3.305 20 0 EGADRP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000280923647 456084406 /nfs/dbraw/zinc/08/44/06/456084406.db2.gz GLQUDPVAYKNCBY-NJYVYQBISA-N 2 0 344.499 3.127 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000263240579 456115061 /nfs/dbraw/zinc/11/50/61/456115061.db2.gz GBDXSICTTUVZCT-ZCNNSNEGSA-N 2 0 343.515 3.064 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC[NH2+]CC1 ZINC000263302366 456122483 /nfs/dbraw/zinc/12/24/83/456122483.db2.gz ZUJWIPPSXQNVOI-QRVBRYPASA-N 2 0 349.563 3.125 20 0 EGADRP c1cc2cccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c2[nH]1 ZINC000271192617 456164305 /nfs/dbraw/zinc/16/43/05/456164305.db2.gz QPNOCSSTRNJXOL-UHFFFAOYSA-N 2 0 327.472 3.245 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000236727329 456176665 /nfs/dbraw/zinc/17/66/65/456176665.db2.gz ROYUOZWWDDNQHC-MOPGFXCFSA-N 2 0 331.504 3.052 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273161791 456196204 /nfs/dbraw/zinc/19/62/04/456196204.db2.gz CITYGNZKUJMBCJ-LMMKCTJWSA-N 2 0 345.531 3.322 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000237053027 456224770 /nfs/dbraw/zinc/22/47/70/456224770.db2.gz KDMDKCGTDOJITB-SJORKVTESA-N 2 0 337.552 3.029 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000237132021 456237620 /nfs/dbraw/zinc/23/76/20/456237620.db2.gz BOUGYEUQLOIZGX-OAQYLSRUSA-N 2 0 340.511 3.338 20 0 EGADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000290193534 456264309 /nfs/dbraw/zinc/26/43/09/456264309.db2.gz ONNRTYQLJWXOSQ-OALUTQOASA-N 2 0 329.488 3.245 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000302023847 456270609 /nfs/dbraw/zinc/27/06/09/456270609.db2.gz GYJKEDANARTUAJ-OAHLLOKOSA-N 2 0 326.488 3.153 20 0 EGADRP CC(C)OC(=O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342868948 456284960 /nfs/dbraw/zinc/28/49/60/456284960.db2.gz REQVVKXUHBNAOS-UHFFFAOYSA-N 2 0 344.499 3.316 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000290310155 456286553 /nfs/dbraw/zinc/28/65/53/456286553.db2.gz CBUNJJNIYCHROC-UHFFFAOYSA-N 2 0 329.473 3.300 20 0 EGADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1O ZINC000290329940 456293846 /nfs/dbraw/zinc/29/38/46/456293846.db2.gz KGMJYMDHJUYHPZ-GDBMZVCRSA-N 2 0 348.487 3.152 20 0 EGADRP Cn1nc(CCC[N@H+](C)CC2CC[NH2+]CC2)cc1-c1ccc(F)cc1 ZINC000337076718 456324880 /nfs/dbraw/zinc/32/48/80/456324880.db2.gz RDUWJHOLBJZMNJ-UHFFFAOYSA-N 2 0 344.478 3.090 20 0 EGADRP C[C@@H](NCc1cnc([C@H](C)O)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290471379 456338064 /nfs/dbraw/zinc/33/80/64/456338064.db2.gz UTUBDTIDGHNACI-VYDXJSESSA-N 2 0 345.512 3.197 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824812 456339150 /nfs/dbraw/zinc/33/91/50/456339150.db2.gz NGOBKBJSLYUARB-YADHBBJMSA-N 2 0 341.543 3.459 20 0 EGADRP COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000290581975 456372111 /nfs/dbraw/zinc/37/21/11/456372111.db2.gz UQZURXPHKIGNNW-WBMJQRKESA-N 2 0 341.293 3.230 20 0 EGADRP COc1cccc2c1ncc(C)c2N1CCN(c2cc[nH+]cc2)CC1 ZINC000302710899 456380890 /nfs/dbraw/zinc/38/08/90/456380890.db2.gz LGKPIZFXVKGPNK-UHFFFAOYSA-N 2 0 334.423 3.273 20 0 EGADRP CSc1ccccc1[C@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000282123904 456419165 /nfs/dbraw/zinc/41/91/65/456419165.db2.gz QXIXCPBJUTURFS-KRWDZBQOSA-N 2 0 335.561 3.475 20 0 EGADRP CSC1(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000347884134 456424659 /nfs/dbraw/zinc/42/46/59/456424659.db2.gz QVXLTJPWJAPZIF-HZPDHXFCSA-N 2 0 326.550 3.093 20 0 EGADRP CCC[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000337618198 456428595 /nfs/dbraw/zinc/42/85/95/456428595.db2.gz CPFKTAJPPFVFOP-INIZCTEOSA-N 2 0 349.544 3.294 20 0 EGADRP Fc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000340402076 456438392 /nfs/dbraw/zinc/43/83/92/456438392.db2.gz BPXZERHMBQCINX-UHFFFAOYSA-N 2 0 341.474 3.123 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000276373418 456460527 /nfs/dbraw/zinc/46/05/27/456460527.db2.gz BWCNMOBDHFTSDG-UHFFFAOYSA-N 2 0 346.519 3.130 20 0 EGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCCO2 ZINC000282267443 456461144 /nfs/dbraw/zinc/46/11/44/456461144.db2.gz KIUXEGYFZFAAGY-IBGZPJMESA-N 2 0 345.531 3.133 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc[nH]c(=O)c1 ZINC000340448852 456468702 /nfs/dbraw/zinc/46/87/02/456468702.db2.gz PVKNWYHPLGGOMZ-MVJPYGJCSA-N 2 0 337.467 3.348 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290928100 456470195 /nfs/dbraw/zinc/47/01/95/456470195.db2.gz ROKBKELLBLCFCP-INIZCTEOSA-N 2 0 349.482 3.480 20 0 EGADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348101803 456482312 /nfs/dbraw/zinc/48/23/12/456482312.db2.gz LEIPKCOWVJUIIO-SFHVURJKSA-N 2 0 349.482 3.440 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC[N@@H+]1C ZINC000340517238 456504376 /nfs/dbraw/zinc/50/43/76/456504376.db2.gz ZSBBGOPDQOAQQN-GDBMZVCRSA-N 2 0 334.533 3.126 20 0 EGADRP Cc1nc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000348138616 456510620 /nfs/dbraw/zinc/51/06/20/456510620.db2.gz FZMZNWADNGYCRU-BEFAXECRSA-N 2 0 327.472 3.334 20 0 EGADRP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000348138624 456511024 /nfs/dbraw/zinc/51/10/24/456511024.db2.gz FZMZNWADNGYCRU-KXBFYZLASA-N 2 0 327.472 3.334 20 0 EGADRP CSCC[C@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340534232 456516064 /nfs/dbraw/zinc/51/60/64/456516064.db2.gz KASMUMVGXOJHOB-JLAWEPINSA-N 2 0 336.545 3.133 20 0 EGADRP CSC1(C[NH2+]C/C=C/c2ccc(F)cc2F)CC[NH+](C)CC1 ZINC000353191479 456549248 /nfs/dbraw/zinc/54/92/48/456549248.db2.gz PDILVIMSSYVSDK-ONEGZZNKSA-N 2 0 326.456 3.395 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298914733 456568117 /nfs/dbraw/zinc/56/81/17/456568117.db2.gz NGINXDRKNZPNNG-JKSUJKDBSA-N 2 0 347.478 3.397 20 0 EGADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000316765102 456615257 /nfs/dbraw/zinc/61/52/57/456615257.db2.gz DBTGYOGWONWBIA-RISCZKNCSA-N 2 0 344.286 3.381 20 0 EGADRP O=C(CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000348324271 456623754 /nfs/dbraw/zinc/62/37/54/456623754.db2.gz PFHJLPNEEJVKIP-WOJBJXKFSA-N 2 0 349.478 3.079 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712505 456643734 /nfs/dbraw/zinc/64/37/34/456643734.db2.gz OVQSXZOTZCKRBH-IBGZPJMESA-N 2 0 330.451 3.080 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1F ZINC000348383378 456658240 /nfs/dbraw/zinc/65/82/40/456658240.db2.gz PDNGIDYBDYUOBC-HIFRSBDPSA-N 2 0 334.357 3.087 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000343522825 456680306 /nfs/dbraw/zinc/68/03/06/456680306.db2.gz KLLQRRPVZCDBJK-PXNSSMCTSA-N 2 0 343.515 3.030 20 0 EGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000327763688 456709272 /nfs/dbraw/zinc/70/92/72/456709272.db2.gz QCCVTHOORLBSQE-UXHICEINSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@@H](c1ccc(F)c(F)c1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343745049 456771163 /nfs/dbraw/zinc/77/11/63/456771163.db2.gz WDDOVLLUOSPYIS-CABCVRRESA-N 2 0 337.458 3.126 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000348640205 456794546 /nfs/dbraw/zinc/79/45/46/456794546.db2.gz HWSJDSMCQULYAM-HOTGVXAUSA-N 2 0 343.471 3.442 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1C ZINC000353658487 456837394 /nfs/dbraw/zinc/83/73/94/456837394.db2.gz JMCUDWQFUPANQK-YOEHRIQHSA-N 2 0 347.894 3.225 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C(C)C)cc1)C1CC1 ZINC000348765543 456846285 /nfs/dbraw/zinc/84/62/85/456846285.db2.gz RBSXGOWTXJCVPH-FQEVSTJZSA-N 2 0 343.515 3.083 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751838 456889599 /nfs/dbraw/zinc/88/95/99/456889599.db2.gz KNDMXBZOGWMISN-SWLSCSKDSA-N 2 0 326.282 3.149 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)C[C@@H]1C ZINC000353751978 456890376 /nfs/dbraw/zinc/89/03/76/456890376.db2.gz QYCKBDXBIKYCEM-MAUKXSAKSA-N 2 0 329.492 3.317 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000341690418 456901147 /nfs/dbraw/zinc/90/11/47/456901147.db2.gz AADSPGSRJNOWKM-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccco1 ZINC000339073043 456926831 /nfs/dbraw/zinc/92/68/31/456926831.db2.gz ZBOSGKCCCGVSBL-ROUUACIJSA-N 2 0 339.439 3.248 20 0 EGADRP Cn1nnc2cc(C[N@H+](Cc3ccccc3)C3CCN(C)CC3)ccc21 ZINC000349290489 456932815 /nfs/dbraw/zinc/93/28/15/456932815.db2.gz XVOODVKKROXVQQ-UHFFFAOYSA-N 2 0 349.482 3.065 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341896505 456990620 /nfs/dbraw/zinc/99/06/20/456990620.db2.gz OCBISVHBNQIFQJ-MRXNPFEDSA-N 2 0 345.409 3.033 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000349719289 457024868 /nfs/dbraw/zinc/02/48/68/457024868.db2.gz HHSLNXFVEZTNNE-AWEZNQCLSA-N 2 0 325.522 3.031 20 0 EGADRP CC[C@H](C(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000339280523 457037461 /nfs/dbraw/zinc/03/74/61/457037461.db2.gz HCGAKHQJVRLVMQ-RLLQIKCJSA-N 2 0 345.531 3.086 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000362722565 457062002 /nfs/dbraw/zinc/06/20/02/457062002.db2.gz GEZRTUBZDAOIKC-GOSISDBHSA-N 2 0 331.504 3.133 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000342107292 457112218 /nfs/dbraw/zinc/11/22/18/457112218.db2.gz PSLAZKYOOITLQJ-XCZFOBESSA-N 2 0 343.515 3.092 20 0 EGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000346692639 457114490 /nfs/dbraw/zinc/11/44/90/457114490.db2.gz HZZYIFFUKIPVSB-FQEVSTJZSA-N 2 0 327.472 3.466 20 0 EGADRP CCCCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346842236 457182610 /nfs/dbraw/zinc/18/26/10/457182610.db2.gz HTOABXZCNXHUMD-RCCFBDPRSA-N 2 0 332.488 3.433 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000354382111 457189013 /nfs/dbraw/zinc/18/90/13/457189013.db2.gz CNSIKYZTPBMERM-UYAOXDASSA-N 2 0 345.531 3.276 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1)CC1CC1 ZINC000356894878 457203965 /nfs/dbraw/zinc/20/39/65/457203965.db2.gz OCGWLFQRTCRCNG-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347051842 457204938 /nfs/dbraw/zinc/20/49/38/457204938.db2.gz RLWNQJVZPLFNPO-APWZRJJASA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360030981 457213892 /nfs/dbraw/zinc/21/38/92/457213892.db2.gz YKDCKGKHMLJJMO-CWRNSKLLSA-N 2 0 327.472 3.194 20 0 EGADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(Br)cc1 ZINC000360047405 457224686 /nfs/dbraw/zinc/22/46/86/457224686.db2.gz VPXFKDLXFYFAHU-INIZCTEOSA-N 2 0 343.309 3.458 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 ZINC000347097285 457227601 /nfs/dbraw/zinc/22/76/01/457227601.db2.gz JHJHJVXQPUIRPO-UHFFFAOYSA-N 2 0 340.515 3.288 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028368 457285383 /nfs/dbraw/zinc/28/53/83/457285383.db2.gz UTQHDRPQFJKIGR-GOSISDBHSA-N 2 0 328.456 3.031 20 0 EGADRP C[C@H](C1CCC1)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357030978 457286841 /nfs/dbraw/zinc/28/68/41/457286841.db2.gz YMNLUIGGOHJMCA-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP Fc1ccc(-c2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000357092913 457318051 /nfs/dbraw/zinc/31/80/51/457318051.db2.gz UZEMMAOWRWQYGI-INIZCTEOSA-N 2 0 329.419 3.302 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000363448255 457332317 /nfs/dbraw/zinc/33/23/17/457332317.db2.gz FNXBMRDXHQXBHP-HNNXBMFYSA-N 2 0 332.879 3.151 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000352432518 457362112 /nfs/dbraw/zinc/36/21/12/457362112.db2.gz QPIOQRMYCMBURG-NJYVYQBISA-N 2 0 328.500 3.400 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3nc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000374074065 457469623 /nfs/dbraw/zinc/46/96/23/457469623.db2.gz HLUWZAZOPMXRLU-UHFFFAOYSA-N 2 0 344.434 3.184 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+](CC)CC ZINC000342724445 457480855 /nfs/dbraw/zinc/48/08/55/457480855.db2.gz CKLDIJUICZURCH-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC(F)F ZINC000397295133 457486345 /nfs/dbraw/zinc/48/63/45/457486345.db2.gz ZGVRJRJCIRIDEW-DYEKYZERSA-N 2 0 328.403 3.102 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400460120 457517189 /nfs/dbraw/zinc/51/71/89/457517189.db2.gz UIHILXHMWCBICO-RDJZCZTQSA-N 2 0 339.524 3.237 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342783584 457525615 /nfs/dbraw/zinc/52/56/15/457525615.db2.gz QHNIXWWBZUVEOJ-UHFFFAOYSA-N 2 0 348.535 3.097 20 0 EGADRP CC1CCC(N(C)C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000347593610 457535697 /nfs/dbraw/zinc/53/56/97/457535697.db2.gz OOHQGNPNIOYAPB-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000370268039 457605142 /nfs/dbraw/zinc/60/51/42/457605142.db2.gz VJEPDAKAPZSGAB-RXVVDRJESA-N 2 0 346.515 3.453 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356423265 457618849 /nfs/dbraw/zinc/61/88/49/457618849.db2.gz KTOJTRAYEWXPHR-YLJYHZDGSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cnn(C)c1 ZINC000370329128 457620874 /nfs/dbraw/zinc/62/08/74/457620874.db2.gz ZLOJNWOHIJUJRU-RCVZYCBYSA-N 2 0 338.499 3.371 20 0 EGADRP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000361173109 457628298 /nfs/dbraw/zinc/62/82/98/457628298.db2.gz AHXIBOVJOGWHPQ-ICSRJNTNSA-N 2 0 345.531 3.259 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCSc4ccc(F)cc43)C2)CC1 ZINC000370624864 457684571 /nfs/dbraw/zinc/68/45/71/457684571.db2.gz QUWUNMWKLCXLEG-CRAIPNDOSA-N 2 0 349.519 3.121 20 0 EGADRP Cc1nc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c(C)o1 ZINC000357799216 457694225 /nfs/dbraw/zinc/69/42/25/457694225.db2.gz VCSZJGNQJARLLG-CQSZACIVSA-N 2 0 331.460 3.125 20 0 EGADRP Cc1nc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)o1 ZINC000357800674 457694526 /nfs/dbraw/zinc/69/45/26/457694526.db2.gz XCYHFELEJLUUSV-UHFFFAOYSA-N 2 0 327.472 3.131 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671388 457697069 /nfs/dbraw/zinc/69/70/69/457697069.db2.gz QSSVAPSOEYUCAY-SFTDATJTSA-N 2 0 345.506 3.049 20 0 EGADRP CC(C)[C@H](C[NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000433152995 457765876 /nfs/dbraw/zinc/76/58/76/457765876.db2.gz OBLBXTSABQOFKA-QKLQHJQFSA-N 2 0 345.531 3.012 20 0 EGADRP CC(C)[C@H](C[NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000433154458 457766262 /nfs/dbraw/zinc/76/62/62/457766262.db2.gz UECYXLVWOMEVLU-QKLQHJQFSA-N 2 0 345.531 3.012 20 0 EGADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605269 457785382 /nfs/dbraw/zinc/78/53/82/457785382.db2.gz NGQIKZLBKNGXJO-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000443600111 457785711 /nfs/dbraw/zinc/78/57/11/457785711.db2.gz LDDQHOMTRJOAQC-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358155853 457822353 /nfs/dbraw/zinc/82/23/53/457822353.db2.gz PEPMHAWFWRXNBO-VNHYZAJKSA-N 2 0 336.430 3.292 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000358164660 457828231 /nfs/dbraw/zinc/82/82/31/457828231.db2.gz IHJWSMWHHIJHHW-UONOGXRCSA-N 2 0 336.430 3.294 20 0 EGADRP CC[N@H+](CCc1cncs1)CC1CCN(c2ccccn2)CC1 ZINC000411298942 457852992 /nfs/dbraw/zinc/85/29/92/457852992.db2.gz OGSMHJNYXYBJHG-UHFFFAOYSA-N 2 0 330.501 3.319 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000371295044 457853133 /nfs/dbraw/zinc/85/31/33/457853133.db2.gz OIWIUACVOGXNFK-ZACQAIPSSA-N 2 0 342.405 3.389 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000375304583 457874453 /nfs/dbraw/zinc/87/44/53/457874453.db2.gz WQTHMBKVTICGHG-MRXNPFEDSA-N 2 0 332.488 3.064 20 0 EGADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358251710 457889743 /nfs/dbraw/zinc/88/97/43/457889743.db2.gz NAWRYJYHTJJRHD-LJQANCHMSA-N 2 0 325.456 3.108 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)COC2 ZINC000358324179 457933943 /nfs/dbraw/zinc/93/39/43/457933943.db2.gz WPISGQGKPHIZOI-ONGXBYRLSA-N 2 0 344.499 3.135 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427103796 457943314 /nfs/dbraw/zinc/94/33/14/457943314.db2.gz ZBLJGVSOCOZCCO-KSSFIOAISA-N 2 0 330.863 3.018 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)[C@H](C)C1 ZINC000358341378 457945161 /nfs/dbraw/zinc/94/51/61/457945161.db2.gz NGPGXFABZGONAA-RKVPGOIHSA-N 2 0 337.508 3.122 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411737975 457965355 /nfs/dbraw/zinc/96/53/55/457965355.db2.gz RQPAPWOFUHXAGY-IBGZPJMESA-N 2 0 343.515 3.134 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1)C(C)C ZINC000371510861 457967398 /nfs/dbraw/zinc/96/73/98/457967398.db2.gz OLWBSQRCTBDKDX-UXHICEINSA-N 2 0 343.515 3.274 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411913491 458008923 /nfs/dbraw/zinc/00/89/23/458008923.db2.gz YXCJZJFBPZZEDE-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458358914 458023968 /nfs/dbraw/zinc/02/39/68/458023968.db2.gz NUAGZWGJSYMKFZ-QGZVFWFLSA-N 2 0 340.556 3.061 20 0 EGADRP Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]1 ZINC000412046640 458064484 /nfs/dbraw/zinc/06/44/84/458064484.db2.gz SNLUXFOAPMRTGM-LJQANCHMSA-N 2 0 339.487 3.089 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428045769 458071494 /nfs/dbraw/zinc/07/14/94/458071494.db2.gz RGAWKXCLZRYCDU-CJNGLKHVSA-N 2 0 328.378 3.158 20 0 EGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435370022 458122767 /nfs/dbraw/zinc/12/27/67/458122767.db2.gz HIDQCQCKOSVZJN-IRXDYDNUSA-N 2 0 347.466 3.103 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000435372158 458123192 /nfs/dbraw/zinc/12/31/92/458123192.db2.gz IXDXAUQVMAHEHB-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435376968 458127041 /nfs/dbraw/zinc/12/70/41/458127041.db2.gz WUKJXEIHWJNLOQ-MJGOQNOKSA-N 2 0 339.483 3.447 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000358661328 458135581 /nfs/dbraw/zinc/13/55/81/458135581.db2.gz IBZCLKVIEMOBIS-IRXDYDNUSA-N 2 0 331.504 3.083 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)CCN1Cc1ccccc1 ZINC000358717940 458168246 /nfs/dbraw/zinc/16/82/46/458168246.db2.gz GRFFHGJSQBKSOO-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000358733686 458178734 /nfs/dbraw/zinc/17/87/34/458178734.db2.gz IBVXCABSTUWNCR-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP c1csc(CN(CCOc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435689226 458184971 /nfs/dbraw/zinc/18/49/71/458184971.db2.gz XWTYNKVKXIPLTH-KRWDZBQOSA-N 2 0 343.496 3.166 20 0 EGADRP Cc1ncsc1CN(Cc1ccccc1N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000435737298 458192734 /nfs/dbraw/zinc/19/27/34/458192734.db2.gz GUMUZTONFUTOFV-MRXNPFEDSA-N 2 0 344.528 3.129 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446565003 458197729 /nfs/dbraw/zinc/19/77/29/458197729.db2.gz MOHJRKDIOKEQCS-QGZVFWFLSA-N 2 0 346.519 3.177 20 0 EGADRP COC1(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428872894 458226965 /nfs/dbraw/zinc/22/69/65/458226965.db2.gz SZJPKGYUAHMMNF-ICSRJNTNSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]Cc2c(Cl)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000436406622 458301460 /nfs/dbraw/zinc/30/14/60/458301460.db2.gz IKJXGSCMFXIONK-RDJZCZTQSA-N 2 0 346.906 3.464 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459351532 458339739 /nfs/dbraw/zinc/33/97/39/458339739.db2.gz HCQZBPQKEPDAKV-MRXNPFEDSA-N 2 0 340.471 3.013 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000429521675 458339870 /nfs/dbraw/zinc/33/98/70/458339870.db2.gz NFPKKQIUFNGFFL-DNVCBOLYSA-N 2 0 325.456 3.016 20 0 EGADRP CC[C@H](C[NH2+]Cc1cnc(C2CC2)nc1)N1CCc2ccccc2C1 ZINC000459390664 458356097 /nfs/dbraw/zinc/35/60/97/458356097.db2.gz OURQZQCQQQOGIK-HXUWFJFHSA-N 2 0 336.483 3.281 20 0 EGADRP CC(C)[C@@H](CNC1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000459394433 458357040 /nfs/dbraw/zinc/35/70/40/458357040.db2.gz UAERVBLRCPOFRK-JOCHJYFZSA-N 2 0 341.543 3.286 20 0 EGADRP CCc1nc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)sc1C ZINC000459411237 458362465 /nfs/dbraw/zinc/36/24/65/458362465.db2.gz NTMGFQCSHMVOGI-UHFFFAOYSA-N 2 0 330.501 3.210 20 0 EGADRP CC(C)OC1CC([N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000459502383 458393699 /nfs/dbraw/zinc/39/36/99/458393699.db2.gz PAZWGUSYGGRHNK-QAJIEZEQSA-N 2 0 328.500 3.396 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000423441821 458434011 /nfs/dbraw/zinc/43/40/11/458434011.db2.gz WGMRFQDKHSCAPM-UZLBHIALSA-N 2 0 337.467 3.101 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423447846 458434526 /nfs/dbraw/zinc/43/45/26/458434526.db2.gz UMSRZEOIRWOFKH-WCFLWFBJSA-N 2 0 341.318 3.476 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423455644 458435295 /nfs/dbraw/zinc/43/52/95/458435295.db2.gz MSVZKENSIMCSIO-QWRGUYRKSA-N 2 0 332.229 3.069 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H]2CCC[C@@H]21 ZINC000423452542 458435813 /nfs/dbraw/zinc/43/58/13/458435813.db2.gz ZAEGOCCDUWRHTD-SPUZQDLCSA-N 2 0 329.488 3.333 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1 ZINC000437214554 458436049 /nfs/dbraw/zinc/43/60/49/458436049.db2.gz NOWDZIVUQCBCGO-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423476819 458438161 /nfs/dbraw/zinc/43/81/61/458438161.db2.gz RSYXPTRPLPSJFY-IHRRRGAJSA-N 2 0 333.867 3.089 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423478063 458439933 /nfs/dbraw/zinc/43/99/33/458439933.db2.gz SZJZXDXAJWXBCR-XEYPJELSSA-N 2 0 334.479 3.314 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000430571095 458463770 /nfs/dbraw/zinc/46/37/70/458463770.db2.gz LDVOZMYSWTUKNC-ZBFHGGJFSA-N 2 0 346.450 3.176 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459739427 458464599 /nfs/dbraw/zinc/46/45/99/458464599.db2.gz SORKQELWQLZIFH-CYBMUJFWSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430578789 458465644 /nfs/dbraw/zinc/46/56/44/458465644.db2.gz XPJMDYKHHPWLHS-QFBILLFUSA-N 2 0 325.456 3.220 20 0 EGADRP CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430583914 458466621 /nfs/dbraw/zinc/46/66/21/458466621.db2.gz YHGDHQWXSHDQRC-FQEVSTJZSA-N 2 0 341.455 3.380 20 0 EGADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1ccc(Cl)cc1Br ZINC000430587714 458467508 /nfs/dbraw/zinc/46/75/08/458467508.db2.gz ACLRUAOARXDFAU-AWEZNQCLSA-N 2 0 349.700 3.444 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1)C1CC1 ZINC000430625906 458473007 /nfs/dbraw/zinc/47/30/07/458473007.db2.gz KCESOFWEDJPSCV-IBGZPJMESA-N 2 0 343.515 3.179 20 0 EGADRP CCN(CC(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1Cl ZINC000423699746 458473523 /nfs/dbraw/zinc/47/35/23/458473523.db2.gz QONSENGGQHDPEH-UHFFFAOYSA-N 2 0 343.858 3.404 20 0 EGADRP [NH3+]CC1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430625233 458473527 /nfs/dbraw/zinc/47/35/27/458473527.db2.gz QDHTVROCHOQCDC-UHFFFAOYSA-N 2 0 337.467 3.353 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000430708218 458482756 /nfs/dbraw/zinc/48/27/56/458482756.db2.gz RYWPUBGYMNVSNW-ILZDJORESA-N 2 0 345.531 3.282 20 0 EGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423805222 458487443 /nfs/dbraw/zinc/48/74/43/458487443.db2.gz YZAXAECCIZGXLE-OALUTQOASA-N 2 0 335.536 3.009 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430763697 458489174 /nfs/dbraw/zinc/48/91/74/458489174.db2.gz QBGDDTVMPHQNTG-RBUKOAKNSA-N 2 0 337.552 3.255 20 0 EGADRP C[C@H]1CN(Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000430944166 458508914 /nfs/dbraw/zinc/50/89/14/458508914.db2.gz SDEZUFIKIPDJEG-NHYWBVRUSA-N 2 0 334.261 3.166 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000430954443 458509588 /nfs/dbraw/zinc/50/95/88/458509588.db2.gz FMPOPCMOCKTGRM-CYBMUJFWSA-N 2 0 332.423 3.177 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC2(C1)CCCCC2)c1ccccc1 ZINC000460381129 458514701 /nfs/dbraw/zinc/51/47/01/458514701.db2.gz QFRBJJGSXVNCNV-LJQANCHMSA-N 2 0 343.515 3.062 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CC[C@@H]2CCOC2)CC3)cc1 ZINC000438120733 458537764 /nfs/dbraw/zinc/53/77/64/458537764.db2.gz XASONDDJHOWWRT-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@H](CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000424020823 458539696 /nfs/dbraw/zinc/53/96/96/458539696.db2.gz QBILSWHJOJINNY-QGZVFWFLSA-N 2 0 345.531 3.168 20 0 EGADRP CC[C@H]1CN(c2cc(C)c3ccc(C)cc3n2)CC[N@@H+]1C[C@H](C)O ZINC000460943598 458541024 /nfs/dbraw/zinc/54/10/24/458541024.db2.gz MZYQTJCJPBAYMQ-IRXDYDNUSA-N 2 0 327.472 3.133 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000469285068 458563973 /nfs/dbraw/zinc/56/39/73/458563973.db2.gz SKOCHUXAVUCYKD-KDURUIRLSA-N 2 0 330.516 3.440 20 0 EGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424187358 458579935 /nfs/dbraw/zinc/57/99/35/458579935.db2.gz ILNONFQRQVIGDF-VQIMIIECSA-N 2 0 337.552 3.253 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000424260772 458596326 /nfs/dbraw/zinc/59/63/26/458596326.db2.gz DMPLUSBZPKQUEK-VXESANQCSA-N 2 0 344.499 3.492 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3cc(Cl)ccc3n1C)CC[NH2+]CC2 ZINC000424285055 458604568 /nfs/dbraw/zinc/60/45/68/458604568.db2.gz FACQUYWFYLKKNG-CYBMUJFWSA-N 2 0 332.879 3.191 20 0 EGADRP CCn1c2cccc(F)c2nc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424294420 458606931 /nfs/dbraw/zinc/60/69/31/458606931.db2.gz QFWSSPHMABBYQS-CQSZACIVSA-N 2 0 330.451 3.159 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1csc(-c3ccccn3)n1)CC[NH2+]CC2 ZINC000424297403 458607950 /nfs/dbraw/zinc/60/79/50/458607950.db2.gz SNWCZGSQOVSXQM-CQSZACIVSA-N 2 0 328.485 3.169 20 0 EGADRP Cc1sc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1C ZINC000424300521 458609460 /nfs/dbraw/zinc/60/94/60/458609460.db2.gz WNIHFEARMRIULF-GFCCVEGCSA-N 2 0 335.517 3.076 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431785232 458624193 /nfs/dbraw/zinc/62/41/93/458624193.db2.gz ORPFWNKBDNXIJJ-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424370462 458628142 /nfs/dbraw/zinc/62/81/42/458628142.db2.gz CKBJTAVVQKHOFD-OAHLLOKOSA-N 2 0 342.462 3.284 20 0 EGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccco1 ZINC000424427767 458641204 /nfs/dbraw/zinc/64/12/04/458641204.db2.gz QPFSLMWNTNJJDB-PBHICJAKSA-N 2 0 344.459 3.298 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000424430685 458643358 /nfs/dbraw/zinc/64/33/58/458643358.db2.gz CZUAPZOZMXEMTA-UHFFFAOYSA-N 2 0 344.503 3.184 20 0 EGADRP COCC(C)(C)C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000494304670 458656537 /nfs/dbraw/zinc/65/65/37/458656537.db2.gz WDVFDXYMTAWGHB-IRXDYDNUSA-N 2 0 334.504 3.058 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000494361357 458663206 /nfs/dbraw/zinc/66/32/06/458663206.db2.gz BOFUQUVGEZTQEN-LSDHHAIUSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000546723499 458666248 /nfs/dbraw/zinc/66/62/48/458666248.db2.gz XXPHPGXQPZETCM-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000463005032 458670769 /nfs/dbraw/zinc/67/07/69/458670769.db2.gz CFTNVSFZSKRWJX-MOPGFXCFSA-N 2 0 334.504 3.309 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000463038596 458672550 /nfs/dbraw/zinc/67/25/50/458672550.db2.gz YEOTVLNUBBCQNY-VQTJNVASSA-N 2 0 348.531 3.351 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000456519605 458699762 /nfs/dbraw/zinc/69/97/62/458699762.db2.gz ATBOBHTUEJSRPL-KRWDZBQOSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(Cl)c1Cl ZINC000432246792 458704114 /nfs/dbraw/zinc/70/41/14/458704114.db2.gz ODYBIZMRSFUCAU-NSHDSACASA-N 2 0 336.332 3.171 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2c1C ZINC000547436110 458738720 /nfs/dbraw/zinc/73/87/20/458738720.db2.gz VTAHHDCLEVSPMR-NHCUHLMSSA-N 2 0 341.499 3.252 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432438698 458740148 /nfs/dbraw/zinc/74/01/48/458740148.db2.gz BUQNUDRPDSJFDM-FXAWDEMLSA-N 2 0 336.495 3.483 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432438700 458740574 /nfs/dbraw/zinc/74/05/74/458740574.db2.gz BUQNUDRPDSJFDM-XLIONFOSSA-N 2 0 336.495 3.483 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1cncn1C ZINC000530355233 458753228 /nfs/dbraw/zinc/75/32/28/458753228.db2.gz MJMFPBXOATUTBW-GFCCVEGCSA-N 2 0 327.457 3.140 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]C[C@@H](C(C)C)N3CC[NH+](C)CC3)cc2c1C ZINC000472036803 458762805 /nfs/dbraw/zinc/76/28/05/458762805.db2.gz ZRBGMZURERUXJT-NRFANRHFSA-N 2 0 342.531 3.146 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000495088741 458798346 /nfs/dbraw/zinc/79/83/46/458798346.db2.gz MRHUYWCRESHKRT-QLFBSQMISA-N 2 0 337.870 3.274 20 0 EGADRP Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000432878330 458805536 /nfs/dbraw/zinc/80/55/36/458805536.db2.gz IADUPXXSAXUXIE-OAHLLOKOSA-N 2 0 331.435 3.017 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000473340661 458825729 /nfs/dbraw/zinc/82/57/29/458825729.db2.gz ANHZOKVCSYMNHV-UXHICEINSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495301794 458829099 /nfs/dbraw/zinc/82/90/99/458829099.db2.gz ISCFESUSCHEESY-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000495508640 458871440 /nfs/dbraw/zinc/87/14/40/458871440.db2.gz IKAJIAIZQVNUAN-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1)C1CC1 ZINC000531119965 458875109 /nfs/dbraw/zinc/87/51/09/458875109.db2.gz QLJCOXCGZWFNIA-FQEVSTJZSA-N 2 0 343.515 3.227 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C)[NH+]1CCCC1 ZINC000474469208 458887463 /nfs/dbraw/zinc/88/74/63/458887463.db2.gz LKHJGURHWIIBNW-AITUJVMLSA-N 2 0 338.536 3.454 20 0 EGADRP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000474474565 458888744 /nfs/dbraw/zinc/88/87/44/458888744.db2.gz GOXUFEAQIMPWQS-RBUKOAKNSA-N 2 0 330.520 3.138 20 0 EGADRP Cc1ncc(C[NH2+]Cc2cccc(N3CCC3=O)c2)n1-c1ccccc1 ZINC000441200175 458899077 /nfs/dbraw/zinc/89/90/77/458899077.db2.gz PXUJRRJLDKGKMV-UHFFFAOYSA-N 2 0 346.434 3.207 20 0 EGADRP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000475131080 458921086 /nfs/dbraw/zinc/92/10/86/458921086.db2.gz PYGHPKUVBCJSES-FQEVSTJZSA-N 2 0 345.531 3.449 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000475500448 458947233 /nfs/dbraw/zinc/94/72/33/458947233.db2.gz BQRHIPOZCLKPRO-BHDDXSALSA-N 2 0 339.527 3.139 20 0 EGADRP CC(C)C(C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)C ZINC000556415294 458957961 /nfs/dbraw/zinc/95/79/61/458957961.db2.gz AEOZYQALNOJLIP-UHFFFAOYSA-N 2 0 339.568 3.131 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000495863818 458982934 /nfs/dbraw/zinc/98/29/34/458982934.db2.gz FTDFXIUFUMHRRP-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP CCCC(CCC)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000519702595 458990851 /nfs/dbraw/zinc/99/08/51/458990851.db2.gz HKHJZSTXMLXUAQ-UHFFFAOYSA-N 2 0 345.531 3.313 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324066 459014865 /nfs/dbraw/zinc/01/48/65/459014865.db2.gz HNBRVHAZRDMTAN-JKSUJKDBSA-N 2 0 330.501 3.361 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000519860175 459017641 /nfs/dbraw/zinc/01/76/41/459017641.db2.gz MVUXOSXVJFTURP-LJQANCHMSA-N 2 0 331.548 3.404 20 0 EGADRP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000577408091 459028367 /nfs/dbraw/zinc/02/83/67/459028367.db2.gz GMLUNUNBGFBBFC-ZDUSSCGKSA-N 2 0 328.441 3.435 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000556909704 459031084 /nfs/dbraw/zinc/03/10/84/459031084.db2.gz IVCIEFJMHMLZAI-IIYDPXPESA-N 2 0 326.431 3.441 20 0 EGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000442758487 459031729 /nfs/dbraw/zinc/03/17/29/459031729.db2.gz IUFMZCYUSKEFRO-IAGOWNOFSA-N 2 0 337.467 3.351 20 0 EGADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442868419 459048142 /nfs/dbraw/zinc/04/81/42/459048142.db2.gz CEQVQKGQYXJGNA-WOJBJXKFSA-N 2 0 329.532 3.247 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442868417 459048488 /nfs/dbraw/zinc/04/84/88/459048488.db2.gz CEQVQKGQYXJGNA-VQTJNVASSA-N 2 0 329.532 3.247 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000567113943 459049160 /nfs/dbraw/zinc/04/91/60/459049160.db2.gz ZAYPERUCZXUFRZ-MISYRCLQSA-N 2 0 343.515 3.030 20 0 EGADRP CCC[C@@H](CCc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879191 459050645 /nfs/dbraw/zinc/05/06/45/459050645.db2.gz WHBNRCTXLKPOKJ-FQEVSTJZSA-N 2 0 331.548 3.404 20 0 EGADRP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000477931109 459067989 /nfs/dbraw/zinc/06/79/89/459067989.db2.gz YIBZZWRMZOITNH-UYAOXDASSA-N 2 0 329.532 3.361 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000577708942 459079267 /nfs/dbraw/zinc/07/92/67/459079267.db2.gz KXKFSWMQHHLYKI-UHFFFAOYSA-N 2 0 347.466 3.294 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058144 459079673 /nfs/dbraw/zinc/07/96/73/459079673.db2.gz JLTGIHARASODCY-IEBWSBKVSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058132 459079956 /nfs/dbraw/zinc/07/99/56/459079956.db2.gz JLDQODDJVWEEOV-ARFHVFGLSA-N 2 0 343.471 3.059 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443061064 459080808 /nfs/dbraw/zinc/08/08/08/459080808.db2.gz QUXMBZZWVJEOJK-AOIWGVFYSA-N 2 0 331.504 3.093 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443061065 459081225 /nfs/dbraw/zinc/08/12/25/459081225.db2.gz QUXMBZZWVJEOJK-LMMKCTJWSA-N 2 0 331.504 3.093 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000557533061 459081710 /nfs/dbraw/zinc/08/17/10/459081710.db2.gz CNRRFCGXKKPVTB-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532484974 459096686 /nfs/dbraw/zinc/09/66/86/459096686.db2.gz QNDVAHPKGGSVLB-WIYYLYMNSA-N 2 0 329.532 3.391 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000567390510 459099340 /nfs/dbraw/zinc/09/93/40/459099340.db2.gz CADVFIHDJWPLBI-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP CC[C@H](C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000532499178 459100594 /nfs/dbraw/zinc/10/05/94/459100594.db2.gz RNIOPYRNQAFDBS-FUHWJXTLSA-N 2 0 333.520 3.352 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000567416309 459104006 /nfs/dbraw/zinc/10/40/06/459104006.db2.gz NZUNLQSUKXAFJC-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000496219447 459113054 /nfs/dbraw/zinc/11/30/54/459113054.db2.gz RKJMEZYNEKIEMI-CADBVGFASA-N 2 0 345.487 3.007 20 0 EGADRP c1ccc2c(NCC3([NH+]4CCOCC4)CCCCC3)cc[nH+]c2c1 ZINC000521062060 459116359 /nfs/dbraw/zinc/11/63/59/459116359.db2.gz ZMMSKIVVUGHXIK-UHFFFAOYSA-N 2 0 325.456 3.104 20 0 EGADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000479064826 459119535 /nfs/dbraw/zinc/11/95/35/459119535.db2.gz FYNCMTYJNRQAJY-UXPWSPDFSA-N 2 0 330.516 3.474 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]3CN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477733 459164545 /nfs/dbraw/zinc/16/45/45/459164545.db2.gz HUZRNRBRYXDCIL-VXKWHMMOSA-N 2 0 341.543 3.316 20 0 EGADRP FC(F)(F)c1ccccc1OCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479757521 459164665 /nfs/dbraw/zinc/16/46/65/459164665.db2.gz SFTJOIKVZGUBPH-OKILXGFUSA-N 2 0 328.378 3.016 20 0 EGADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000480142214 459183590 /nfs/dbraw/zinc/18/35/90/459183590.db2.gz AUHNZYRWSNLTTB-VNQPRFMTSA-N 2 0 336.442 3.465 20 0 EGADRP C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480228970 459189663 /nfs/dbraw/zinc/18/96/63/459189663.db2.gz SCQBQUMTOTYPKK-GOSISDBHSA-N 2 0 341.499 3.414 20 0 EGADRP CCc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)CC)nc2)N(C)C)cc1 ZINC000480662697 459211027 /nfs/dbraw/zinc/21/10/27/459211027.db2.gz MBVAQBUMYWXKPA-HXUWFJFHSA-N 2 0 340.515 3.493 20 0 EGADRP CSCc1cnc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000595001095 459211950 /nfs/dbraw/zinc/21/19/50/459211950.db2.gz QPTMCCAVUXACAL-UHFFFAOYSA-N 2 0 325.547 3.218 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000578503683 459212637 /nfs/dbraw/zinc/21/26/37/459212637.db2.gz GGUVZWHXJCUTCW-MSOLQXFVSA-N 2 0 345.874 3.067 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000568140263 459231248 /nfs/dbraw/zinc/23/12/48/459231248.db2.gz CHMYEIQUSNDZMV-RDJZCZTQSA-N 2 0 344.499 3.182 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@@H+]1C ZINC000496568361 459242808 /nfs/dbraw/zinc/24/28/08/459242808.db2.gz GVEUGIUMYPJJNJ-LTIDMASMSA-N 2 0 339.524 3.094 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC(C)(C)C2)cc1 ZINC000533565348 459254455 /nfs/dbraw/zinc/25/44/55/459254455.db2.gz NAWZXSIYALDPTO-GOSISDBHSA-N 2 0 345.531 3.284 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1)C(C)C ZINC000523118066 459281115 /nfs/dbraw/zinc/28/11/15/459281115.db2.gz ZRFFIYCZWKNOBD-QGZVFWFLSA-N 2 0 331.504 3.131 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000582005700 459290255 /nfs/dbraw/zinc/29/02/55/459290255.db2.gz HEKKBEJCZNWAHR-IBGZPJMESA-N 2 0 337.467 3.257 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000482481332 459311723 /nfs/dbraw/zinc/31/17/23/459311723.db2.gz OVFYTZNRMUPBDE-APWZRJJASA-N 2 0 345.531 3.180 20 0 EGADRP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482986417 459333956 /nfs/dbraw/zinc/33/39/56/459333956.db2.gz SHGDLOKZVXZJME-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000496852901 459346517 /nfs/dbraw/zinc/34/65/17/459346517.db2.gz CIWQUWOJCGCAJG-NXHRZFHOSA-N 2 0 333.476 3.007 20 0 EGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000534756368 459351028 /nfs/dbraw/zinc/35/10/28/459351028.db2.gz YATLRUXEKOIOLS-INIZCTEOSA-N 2 0 347.466 3.084 20 0 EGADRP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000582537134 459382086 /nfs/dbraw/zinc/38/20/86/459382086.db2.gz PGBWSAJVAIMLLZ-GOEBONIOSA-N 2 0 344.434 3.055 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)CC1 ZINC000540748559 459385028 /nfs/dbraw/zinc/38/50/28/459385028.db2.gz QFAGRXCBUGFYFW-LVCYWYKZSA-N 2 0 344.547 3.358 20 0 EGADRP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCc1cncn1C ZINC000496972539 459390830 /nfs/dbraw/zinc/39/08/30/459390830.db2.gz DNWZYZJFQPXSPO-HNNXBMFYSA-N 2 0 342.443 3.002 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000483817468 459394875 /nfs/dbraw/zinc/39/48/75/459394875.db2.gz KLESMMOBDARPGW-GUTXKFCHSA-N 2 0 341.293 3.289 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000569101337 459395701 /nfs/dbraw/zinc/39/57/01/459395701.db2.gz JPSBCTQARRAGEB-PIKOESSRSA-N 2 0 343.515 3.330 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)N1CCCC[C@@H]1C ZINC000496991504 459397831 /nfs/dbraw/zinc/39/78/31/459397831.db2.gz BKAMNHMTPHWOKI-JYJNAYRXSA-N 2 0 339.524 3.094 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3ccc(F)cc3)CCC2)CC[NH2+]CC1 ZINC000591568328 459402580 /nfs/dbraw/zinc/40/25/80/459402580.db2.gz NOIGOUBKXMHCRK-OAHLLOKOSA-N 2 0 348.462 3.116 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)cc4c3OCC4)C2)CC1 ZINC000582718528 459414414 /nfs/dbraw/zinc/41/44/14/459414414.db2.gz PNBKYGLZIGOTCE-MRXNPFEDSA-N 2 0 334.891 3.439 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)[NH+]1CCCCC1 ZINC000541557366 459466171 /nfs/dbraw/zinc/46/61/71/459466171.db2.gz FUGQZGQTYMXGMQ-CVEARBPZSA-N 2 0 329.488 3.486 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000583013434 459466885 /nfs/dbraw/zinc/46/68/85/459466885.db2.gz ZYEJKAIBWQDGHE-DOTOQJQBSA-N 2 0 344.503 3.181 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000583013436 459467772 /nfs/dbraw/zinc/46/77/72/459467772.db2.gz ZYEJKAIBWQDGHE-RDJZCZTQSA-N 2 0 344.503 3.181 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000526112786 459550206 /nfs/dbraw/zinc/55/02/06/459550206.db2.gz KWBJAUXOXBBTFA-KGLIPLIRSA-N 2 0 342.409 3.366 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000526986403 459571363 /nfs/dbraw/zinc/57/13/63/459571363.db2.gz FKRFRCUQHZGBMW-IBGZPJMESA-N 2 0 346.421 3.481 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527222291 459611024 /nfs/dbraw/zinc/61/10/24/459611024.db2.gz RTEKCQASIMOZIC-UHFFFAOYSA-N 2 0 325.447 3.132 20 0 EGADRP c1ccc(-c2noc([C@@H]3CCCC[N@H+]3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000583922373 459619776 /nfs/dbraw/zinc/61/97/76/459619776.db2.gz OAHZSJHNUYQZRZ-RDJZCZTQSA-N 2 0 326.444 3.263 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000562956106 459679141 /nfs/dbraw/zinc/67/91/41/459679141.db2.gz DPUPWRHYMRQGED-HXUWFJFHSA-N 2 0 327.472 3.352 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527654193 459685961 /nfs/dbraw/zinc/68/59/61/459685961.db2.gz ROSWQCAXYVOAAK-CYBMUJFWSA-N 2 0 349.466 3.130 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CCCCC1 ZINC000543740184 459693026 /nfs/dbraw/zinc/69/30/26/459693026.db2.gz BKKYRPLODQDWQG-MBDNFAEBSA-N 2 0 342.527 3.428 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000584482369 459751805 /nfs/dbraw/zinc/75/18/05/459751805.db2.gz QQWSOSOKWWHGLL-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP CC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000502021575 459756261 /nfs/dbraw/zinc/75/62/61/459756261.db2.gz XAMWXHGVQSUQHW-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000574053184 459774236 /nfs/dbraw/zinc/77/42/36/459774236.db2.gz IMDKBQCEIWJNKS-RLLQIKCJSA-N 2 0 337.467 3.096 20 0 EGADRP CN1CCC([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC1 ZINC000527939081 459776620 /nfs/dbraw/zinc/77/66/20/459776620.db2.gz LOSGTDWCOPPDHU-UHFFFAOYSA-N 2 0 332.492 3.076 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000574304370 459804304 /nfs/dbraw/zinc/80/43/04/459804304.db2.gz QYENUMFSEOKLJH-RTWAWAEBSA-N 2 0 327.516 3.367 20 0 EGADRP CCCCCOc1ccc([C@H]([NH2+]C[C@]2(O)CCN(C)C2)C2CC2)cc1 ZINC000545161151 459805068 /nfs/dbraw/zinc/80/50/68/459805068.db2.gz MFOBNTDLPYTSSP-NHCUHLMSSA-N 2 0 346.515 3.363 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000566115149 459808367 /nfs/dbraw/zinc/80/83/67/459808367.db2.gz BMTRQWVBUBHVBJ-PXNSSMCTSA-N 2 0 342.483 3.023 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000575172865 459941697 /nfs/dbraw/zinc/94/16/97/459941697.db2.gz OABVTHKDVQGDSU-CVAIRZPRSA-N 2 0 340.471 3.371 20 0 EGADRP COc1cc(C[N@H+](C)CCC2CC[NH2+]CC2)ccc1OC(F)F ZINC000575181632 459942728 /nfs/dbraw/zinc/94/27/28/459942728.db2.gz RMXWDKANOHAMIK-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP COc1ccc(C)cc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710759 459973826 /nfs/dbraw/zinc/97/38/26/459973826.db2.gz VUWJTVOWQYRCMF-HDICACEKSA-N 2 0 346.515 3.325 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1 ZINC000614228935 460057291 /nfs/dbraw/zinc/05/72/91/460057291.db2.gz ZVDFSTJMFOHYAK-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000621764975 460058137 /nfs/dbraw/zinc/05/81/37/460058137.db2.gz PLGLAXPSAQDVJP-ICSRJNTNSA-N 2 0 341.499 3.196 20 0 EGADRP Oc1ccc(Cl)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000625208757 460071849 /nfs/dbraw/zinc/07/18/49/460071849.db2.gz FBDOCVKDQOCHPX-UHFFFAOYSA-N 2 0 338.879 3.122 20 0 EGADRP Cc1ncncc1[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000576172403 460083162 /nfs/dbraw/zinc/08/31/62/460083162.db2.gz LOZSDMHDHVIXOO-CVEARBPZSA-N 2 0 325.460 3.056 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)cc1 ZINC000622658477 460291744 /nfs/dbraw/zinc/29/17/44/460291744.db2.gz YOYGWQSBPAVSLD-GOSISDBHSA-N 2 0 345.531 3.475 20 0 EGADRP C[C@@H]1C[C@@H]1C[N@H+](CCCC[NH+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000625932516 460308064 /nfs/dbraw/zinc/30/80/64/460308064.db2.gz AMUWRAAKTLKYNQ-YSTOQKLRSA-N 2 0 338.536 3.014 20 0 EGADRP Cc1ccc([C@@H](C)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000600120177 460391998 /nfs/dbraw/zinc/39/19/98/460391998.db2.gz JBTIYYWSLFDUPG-FPOVZHCZSA-N 2 0 329.532 3.199 20 0 EGADRP C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000634680552 460472813 /nfs/dbraw/zinc/47/28/13/460472813.db2.gz VWMSJISTRCFLMY-RDJZCZTQSA-N 2 0 349.494 3.186 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631624900 460477090 /nfs/dbraw/zinc/47/70/90/460477090.db2.gz SKFMVNCUALOYIL-MUGJNUQGSA-N 2 0 326.484 3.056 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631664505 460497495 /nfs/dbraw/zinc/49/74/95/460497495.db2.gz OETCYVXOTVPYPF-KPFFTGBYSA-N 2 0 326.488 3.229 20 0 EGADRP COc1ccc(-c2cc(CN3CC[C@@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000606903139 460757485 /nfs/dbraw/zinc/75/74/85/460757485.db2.gz DSSKXCIAYPIABO-INIZCTEOSA-N 2 0 341.455 3.268 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cc2c1 ZINC000629536907 460798734 /nfs/dbraw/zinc/79/87/34/460798734.db2.gz HSJUMYZEGHJRLG-PZJWPPBQSA-N 2 0 339.483 3.262 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120997 460869916 /nfs/dbraw/zinc/86/99/16/460869916.db2.gz LHHQEFQMJZTPJH-SJORKVTESA-N 2 0 331.504 3.288 20 0 EGADRP CC[NH+](CC)Cc1ccc(NC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC000635850663 460949012 /nfs/dbraw/zinc/94/90/12/460949012.db2.gz YIUGGJDDZSZAKF-UHFFFAOYSA-N 2 0 329.488 3.343 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000613491421 460970142 /nfs/dbraw/zinc/97/01/42/460970142.db2.gz QSKJSFZEEMVVMY-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1nc2cc(CNC(=O)C[N@@H+](C)CC(C)(C)C)ccc2n1C1CC1 ZINC000635906612 460971527 /nfs/dbraw/zinc/97/15/27/460971527.db2.gz XEQRNIGTZBTNDX-UHFFFAOYSA-N 2 0 342.487 3.274 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCCC2 ZINC000608073294 460978562 /nfs/dbraw/zinc/97/85/62/460978562.db2.gz GWDXQLNYSMARQM-UXHICEINSA-N 2 0 346.515 3.454 20 0 EGADRP Cc1csc([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662260178 461148172 /nfs/dbraw/zinc/14/81/72/461148172.db2.gz IXZHJLRUDJLVJE-KRWDZBQOSA-N 2 0 327.497 3.477 20 0 EGADRP C[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@H]1CC[NH3+] ZINC000652355141 461150656 /nfs/dbraw/zinc/15/06/56/461150656.db2.gz QBIPSWCYYOHGQQ-CJNGLKHVSA-N 2 0 348.878 3.382 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cnc3n2CCC3)CC1)CC(C)C ZINC000668167736 461151163 /nfs/dbraw/zinc/15/11/63/461151163.db2.gz DVPRHWOHCYXHKC-UHFFFAOYSA-N 2 0 332.536 3.409 20 0 EGADRP COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363462 461158076 /nfs/dbraw/zinc/15/80/76/461158076.db2.gz FMCRCAZMRHPOEI-JFIYKMOQSA-N 2 0 338.879 3.209 20 0 EGADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CCOCC1 ZINC000637978484 461169844 /nfs/dbraw/zinc/16/98/44/461169844.db2.gz PIECMSGZIBGSGE-NLWGTHIKSA-N 2 0 338.536 3.014 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000649552038 461171494 /nfs/dbraw/zinc/17/14/94/461171494.db2.gz VDWIRKSUNZLNHY-NJDAHSKKSA-N 2 0 327.516 3.067 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CC3([NH3+])CCC3)c2)CC1 ZINC000646288319 461172401 /nfs/dbraw/zinc/17/24/01/461172401.db2.gz IPKFISLFLYBHBK-UHFFFAOYSA-N 2 0 329.488 3.171 20 0 EGADRP CC(C)[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000646300294 461179078 /nfs/dbraw/zinc/17/90/78/461179078.db2.gz RPNQQOVPDHVBIR-NRFANRHFSA-N 2 0 346.515 3.408 20 0 EGADRP C[C@@H](c1ccccn1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326879 461194358 /nfs/dbraw/zinc/19/43/58/461194358.db2.gz GCMARTVRPWQYHV-HNNXBMFYSA-N 2 0 339.487 3.212 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000646395131 461234297 /nfs/dbraw/zinc/23/42/97/461234297.db2.gz GKUXABCZNVQCDZ-FXAWDEMLSA-N 2 0 327.472 3.001 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc2c1C[NH2+]C2 ZINC000662421278 461237356 /nfs/dbraw/zinc/23/73/56/461237356.db2.gz WXHTXXVVFBXNTK-IBGZPJMESA-N 2 0 349.478 3.074 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638111334 461244289 /nfs/dbraw/zinc/24/42/89/461244289.db2.gz DUFXGOLVPLHCHB-IHPCNDPISA-N 2 0 345.531 3.261 20 0 EGADRP O=C(c1cccc2c1C[NH2+]C2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000662444663 461246056 /nfs/dbraw/zinc/24/60/56/461246056.db2.gz KPFUEKJMPWLQED-KRWDZBQOSA-N 2 0 341.499 3.018 20 0 EGADRP c1cnc2cccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000638126100 461258889 /nfs/dbraw/zinc/25/88/89/461258889.db2.gz PMLWSWWISBMJIK-UHFFFAOYSA-N 2 0 339.483 3.312 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000662524764 461282111 /nfs/dbraw/zinc/28/21/11/461282111.db2.gz OKDUXSQCVGTFAM-HXUWFJFHSA-N 2 0 335.451 3.456 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662524528 461282180 /nfs/dbraw/zinc/28/21/80/461282180.db2.gz XZTABMRDEWORNB-APWZRJJASA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](CCCNC(=O)c1cccc2c1C[NH2+]C2)C1CCCCC1 ZINC000662580644 461302745 /nfs/dbraw/zinc/30/27/45/461302745.db2.gz CBSKSTCJBDGPKT-UHFFFAOYSA-N 2 0 329.488 3.064 20 0 EGADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638292058 461350855 /nfs/dbraw/zinc/35/08/55/461350855.db2.gz UESMVWCHWJKXOD-CTNGQTDRSA-N 2 0 327.516 3.428 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659468393 461359413 /nfs/dbraw/zinc/35/94/13/461359413.db2.gz AHMGKJXXONQRIU-UHFFFAOYSA-N 2 0 348.535 3.187 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)sn1 ZINC000638335334 461374778 /nfs/dbraw/zinc/37/47/78/461374778.db2.gz MKBFPEYPKCZQED-HOTGVXAUSA-N 2 0 345.512 3.351 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3ccccc3)CCCC2)CC1 ZINC000638338436 461377309 /nfs/dbraw/zinc/37/73/09/461377309.db2.gz AWUCFZKEYKMICZ-UHFFFAOYSA-N 2 0 330.516 3.323 20 0 EGADRP O=C(Nc1cccc2c1CC[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000646735691 461392420 /nfs/dbraw/zinc/39/24/20/461392420.db2.gz ZGRKLNZUNMEWHC-UHFFFAOYSA-N 2 0 349.478 3.183 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655752569 461418154 /nfs/dbraw/zinc/41/81/54/461418154.db2.gz QRMYONKCICHIAR-HXUWFJFHSA-N 2 0 343.515 3.256 20 0 EGADRP CC[NH+](CC)Cc1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655757552 461425350 /nfs/dbraw/zinc/42/53/50/461425350.db2.gz IKHKRWFTCAOBFA-FQEVSTJZSA-N 2 0 331.504 3.194 20 0 EGADRP C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000655762096 461429092 /nfs/dbraw/zinc/42/90/92/461429092.db2.gz AKUBGAALYDNCLK-SFTDATJTSA-N 2 0 349.563 3.017 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cnc(C(C)(C)C)s3)c2)CC1 ZINC000630960145 461440603 /nfs/dbraw/zinc/44/06/03/461440603.db2.gz DELUGAWUBBKSQP-UHFFFAOYSA-N 2 0 345.516 3.200 20 0 EGADRP CSc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000630961037 461442997 /nfs/dbraw/zinc/44/29/97/461442997.db2.gz LWFKOMSGQYKLST-UHFFFAOYSA-N 2 0 334.514 3.229 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088924 461450493 /nfs/dbraw/zinc/45/04/93/461450493.db2.gz ZUAOIDVFMMGTAD-WMZOPIPTSA-N 2 0 349.950 3.061 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647009538 461481163 /nfs/dbraw/zinc/48/11/63/461481163.db2.gz FNIOCQXBGKEUME-MJGOQNOKSA-N 2 0 331.504 3.116 20 0 EGADRP CCO[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000649991453 461503037 /nfs/dbraw/zinc/50/30/37/461503037.db2.gz BUNNIVGEJNUVAK-WTGUMLROSA-N 2 0 340.552 3.260 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653109145 461504616 /nfs/dbraw/zinc/50/46/16/461504616.db2.gz WCEYVDFUESCXCY-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653113896 461505846 /nfs/dbraw/zinc/50/58/46/461505846.db2.gz RDIIFPPXCKRSRW-HXUWFJFHSA-N 2 0 343.515 3.069 20 0 EGADRP [NH3+]Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)o1 ZINC000647120628 461508053 /nfs/dbraw/zinc/50/80/53/461508053.db2.gz MWYGLAAOBZXQMY-UHFFFAOYSA-N 2 0 338.411 3.441 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000631063241 461515749 /nfs/dbraw/zinc/51/57/49/461515749.db2.gz JAZNMQVUFKMEJM-DKRLNXSXSA-N 2 0 329.532 3.098 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653168945 461533817 /nfs/dbraw/zinc/53/38/17/461533817.db2.gz UYTBAADWQVRFDA-LSTHTHJFSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631083629 461534647 /nfs/dbraw/zinc/53/46/47/461534647.db2.gz NHHPEXASCWHFOJ-UHFFFAOYSA-N 2 0 329.463 3.095 20 0 EGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1Sc2ccccc2NC1=O ZINC000659998901 461536211 /nfs/dbraw/zinc/53/62/11/461536211.db2.gz ZHTKWSNVRVLLRW-RVKKMQEKSA-N 2 0 345.512 3.048 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000642643603 461543275 /nfs/dbraw/zinc/54/32/75/461543275.db2.gz FKTKGRANOUGCQF-HXUWFJFHSA-N 2 0 348.531 3.097 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000647179925 461547882 /nfs/dbraw/zinc/54/78/82/461547882.db2.gz WAQGKLMIYMFKEG-INIZCTEOSA-N 2 0 330.476 3.199 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H]([NH3+])c1ccc(C)cc1)C1CCCCC1 ZINC000653200706 461554856 /nfs/dbraw/zinc/55/48/56/461554856.db2.gz MWCMHVKWTHDSBP-LJQANCHMSA-N 2 0 331.504 3.156 20 0 EGADRP COc1cc(Cl)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000631120095 461568593 /nfs/dbraw/zinc/56/85/93/461568593.db2.gz HVWMDWBYQHWHJY-UHFFFAOYSA-N 2 0 338.879 3.321 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000631124268 461571332 /nfs/dbraw/zinc/57/13/32/461571332.db2.gz UFYMYKLEHCSJTM-FQEVSTJZSA-N 2 0 337.467 3.257 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000660074558 461571648 /nfs/dbraw/zinc/57/16/48/461571648.db2.gz PIGCHMIEFHIXFT-FCEUIQTBSA-N 2 0 341.543 3.282 20 0 EGADRP CO[C@H](C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CCOCC1 ZINC000638775443 461572880 /nfs/dbraw/zinc/57/28/80/461572880.db2.gz GNUOVLUAZRNOJH-SOAGJPPSSA-N 2 0 338.536 3.061 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663345946 461574909 /nfs/dbraw/zinc/57/49/09/461574909.db2.gz PJGXQGFRZIEWAG-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000660118909 461590998 /nfs/dbraw/zinc/59/09/98/461590998.db2.gz IYNBJQCHRWMJDG-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[C@@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC[NH2+]C1 ZINC000653252996 461591631 /nfs/dbraw/zinc/59/16/31/461591631.db2.gz BWXOWFLMDMDIKK-LJQANCHMSA-N 2 0 347.528 3.203 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638880995 461637059 /nfs/dbraw/zinc/63/70/59/461637059.db2.gz QHECFLGYGPMMIS-ZDUSSCGKSA-N 2 0 334.291 3.022 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1Br ZINC000656197340 461642713 /nfs/dbraw/zinc/64/27/13/461642713.db2.gz ZXOHZDXWQPAZRC-UPJWGTAASA-N 2 0 327.266 3.076 20 0 EGADRP Cc1cnc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000656200131 461644944 /nfs/dbraw/zinc/64/49/44/461644944.db2.gz JZOWMWKDRVQCTR-PZJWPPBQSA-N 2 0 337.467 3.086 20 0 EGADRP CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000650236661 461654818 /nfs/dbraw/zinc/65/48/18/461654818.db2.gz BWYJDLPFMXWRMB-IBGZPJMESA-N 2 0 344.503 3.185 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471831 461662312 /nfs/dbraw/zinc/66/23/12/461662312.db2.gz YOVRKMBZQBHLEV-DOTOQJQBSA-N 2 0 347.478 3.254 20 0 EGADRP CCCC1CCC(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)CC1 ZINC000663504006 461675764 /nfs/dbraw/zinc/67/57/64/461675764.db2.gz PRWDXWSOTDQUNJ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000647494511 461735070 /nfs/dbraw/zinc/73/50/70/461735070.db2.gz STMUBZPGGTXLDB-UHFFFAOYSA-N 2 0 338.455 3.265 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1[NH3+] ZINC000647497793 461736291 /nfs/dbraw/zinc/73/62/91/461736291.db2.gz VYEOYZKZTYYJGK-AZUAARDMSA-N 2 0 325.456 3.220 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)C[C@@H]21 ZINC000647511407 461741181 /nfs/dbraw/zinc/74/11/81/461741181.db2.gz IQDIACCQHDMWTK-HHXXYDBFSA-N 2 0 344.890 3.144 20 0 EGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(Br)c1 ZINC000643534380 461753764 /nfs/dbraw/zinc/75/37/64/461753764.db2.gz SSXMLWYWRWIBTD-HZMBPMFUSA-N 2 0 327.241 3.381 20 0 EGADRP Fc1ccc([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2cccnc2)c(F)c1 ZINC000643534917 461754122 /nfs/dbraw/zinc/75/41/22/461754122.db2.gz FQFDKTCBJPVLPX-ROUUACIJSA-N 2 0 329.394 3.181 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534075 461754417 /nfs/dbraw/zinc/75/44/17/461754417.db2.gz KTKBXCPDYRNNGN-RHSMWYFYSA-N 2 0 330.476 3.009 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000643537137 461756135 /nfs/dbraw/zinc/75/61/35/461756135.db2.gz ZYKQZMICEZCTKH-NHYWBVRUSA-N 2 0 339.277 3.250 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542875 461756469 /nfs/dbraw/zinc/75/64/69/461756469.db2.gz DHAVTLBAQNMMPX-HZPDHXFCSA-N 2 0 342.512 3.417 20 0 EGADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000647543480 461757679 /nfs/dbraw/zinc/75/76/79/461757679.db2.gz OFGNCXHOFRRQFX-SJORKVTESA-N 2 0 330.472 3.060 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543278 461757803 /nfs/dbraw/zinc/75/78/03/461757803.db2.gz KJAUNKCYTUZQAK-OALUTQOASA-N 2 0 338.499 3.392 20 0 EGADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543924 461758488 /nfs/dbraw/zinc/75/84/88/461758488.db2.gz ULIJWMLVZHHYDQ-LSDHHAIUSA-N 2 0 330.501 3.350 20 0 EGADRP CCC(CC)(CC)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643606725 461765404 /nfs/dbraw/zinc/76/54/04/461765404.db2.gz OIGZYRBPWLFELU-UHFFFAOYSA-N 2 0 345.531 3.313 20 0 EGADRP CC[N@H+](CCC1CCN(c2cc(CO)cc(C)n2)CC1)CC(C)C ZINC000663769299 461797883 /nfs/dbraw/zinc/79/78/83/461797883.db2.gz IXXUSNNJTBTDDB-UHFFFAOYSA-N 2 0 333.520 3.467 20 0 EGADRP CC[C@@H]1C[NH+](CC2(C[N@@H+]3CCCO[C@H](CC)C3)CCC2)CCCO1 ZINC000660469892 461798952 /nfs/dbraw/zinc/79/89/52/461798952.db2.gz RFJHSZUWQNNLQD-RTBURBONSA-N 2 0 338.536 3.159 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(C)C)cc(=O)c2O)CC1 ZINC000663830718 461828261 /nfs/dbraw/zinc/82/82/61/461828261.db2.gz NCVDEVWDLRBIOL-UHFFFAOYSA-N 2 0 346.515 3.430 20 0 EGADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788082 461835641 /nfs/dbraw/zinc/83/56/41/461835641.db2.gz BZJFUESRTHLZPZ-BRWVUGGUSA-N 2 0 342.405 3.243 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790009 461837057 /nfs/dbraw/zinc/83/70/57/461837057.db2.gz PJGHPQJFHVQSGU-SFNKJDCFSA-N 2 0 347.934 3.452 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647791886 461837347 /nfs/dbraw/zinc/83/73/47/461837347.db2.gz PHIFQULLUPENGT-DFQSSKMNSA-N 2 0 338.499 3.091 20 0 EGADRP Clc1ccc(COCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647794318 461837896 /nfs/dbraw/zinc/83/78/96/461837896.db2.gz XVGIMPQNXSQHMC-XNRPHZJLSA-N 2 0 343.298 3.488 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856510 461838443 /nfs/dbraw/zinc/83/84/43/461838443.db2.gz MMYILFGVSWHBMV-ZDUSSCGKSA-N 2 0 329.307 3.403 20 0 EGADRP c1cc(OC2CCCCC2)ncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793315 461838625 /nfs/dbraw/zinc/83/86/25/461838625.db2.gz TUVYIVJDQANQMG-FGTMMUONSA-N 2 0 329.488 3.271 20 0 EGADRP c1ccc(COc2cnccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647796589 461839602 /nfs/dbraw/zinc/83/96/02/461839602.db2.gz FXHYSRPRQWIBEJ-DFQSSKMNSA-N 2 0 337.467 3.138 20 0 EGADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799950 461841708 /nfs/dbraw/zinc/84/17/08/461841708.db2.gz VJQAMILVJDKUDH-BASYENTBSA-N 2 0 329.463 3.226 20 0 EGADRP Brc1ccc(/C=C/C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647798971 461841885 /nfs/dbraw/zinc/84/18/85/461841885.db2.gz ZWOCWPKQKNMUOJ-HZGQQCFVSA-N 2 0 335.289 3.440 20 0 EGADRP COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647883482 461869846 /nfs/dbraw/zinc/86/98/46/461869846.db2.gz VYLCLQZYFKHIQQ-QZTJIDSGSA-N 2 0 332.488 3.100 20 0 EGADRP CC1(C)CCC[C@@](O)(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639362015 461885854 /nfs/dbraw/zinc/88/58/54/461885854.db2.gz CEFOCNYMQGMBMQ-FQEVSTJZSA-N 2 0 331.504 3.361 20 0 EGADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2cc(N)ccc2O1 ZINC000666959405 461889391 /nfs/dbraw/zinc/88/93/91/461889391.db2.gz MBLYDMLLEDXEIN-SPUZQDLCSA-N 2 0 329.488 3.381 20 0 EGADRP c1cn(-c2csc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)cn1 ZINC000656783605 461892440 /nfs/dbraw/zinc/89/24/40/461892440.db2.gz RARIWTMNPHLHBT-MRXNPFEDSA-N 2 0 330.501 3.145 20 0 EGADRP CC[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000647934604 461892853 /nfs/dbraw/zinc/89/28/53/461892853.db2.gz KFSDNIAZJNVVFW-ABAIWWIYSA-N 2 0 345.256 3.026 20 0 EGADRP Fc1ccc(-n2nccc2C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785281 461895895 /nfs/dbraw/zinc/89/58/95/461895895.db2.gz GMOYLRDUHHSCCL-QGZVFWFLSA-N 2 0 342.462 3.223 20 0 EGADRP COc1cc2c(cc1C[NH+]1CCC([C@@H]3CCC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000656785970 461896424 /nfs/dbraw/zinc/89/64/24/461896424.db2.gz OPWLQJDHOIEVMS-DOTOQJQBSA-N 2 0 344.499 3.230 20 0 EGADRP CCN(CC)c1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656786435 461897691 /nfs/dbraw/zinc/89/76/91/461897691.db2.gz SOVCGMQJILRXNJ-MRXNPFEDSA-N 2 0 336.549 3.201 20 0 EGADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706072 461899731 /nfs/dbraw/zinc/89/97/31/461899731.db2.gz CUWXSIGIAUQVQD-ZVDOUQERSA-N 2 0 346.515 3.440 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000650707441 461900833 /nfs/dbraw/zinc/90/08/33/461900833.db2.gz GKWGUFFICJNBLK-BJJXKVORSA-N 2 0 349.475 3.154 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000650707634 461901622 /nfs/dbraw/zinc/90/16/22/461901622.db2.gz JZQOMZQNYANUPK-KBRIMQKVSA-N 2 0 326.843 3.197 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997128 461904803 /nfs/dbraw/zinc/90/48/03/461904803.db2.gz YCAQETBGOONRBB-IBGZPJMESA-N 2 0 329.532 3.409 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660917 461911593 /nfs/dbraw/zinc/91/15/93/461911593.db2.gz BEDAUKHZTSHRAP-YADHBBJMSA-N 2 0 338.495 3.161 20 0 EGADRP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975668 461917028 /nfs/dbraw/zinc/91/70/28/461917028.db2.gz DIZWJXYAXZLHIF-JKSUJKDBSA-N 2 0 344.434 3.087 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977076 461918431 /nfs/dbraw/zinc/91/84/31/461918431.db2.gz XRERDIUIJVBGKZ-MOPGFXCFSA-N 2 0 344.499 3.500 20 0 EGADRP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647976190 461918867 /nfs/dbraw/zinc/91/88/67/461918867.db2.gz LHMSUHLERYDJHU-QZTJIDSGSA-N 2 0 340.471 3.257 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650739854 461927994 /nfs/dbraw/zinc/92/79/94/461927994.db2.gz ASPPKAVPONHCGQ-POZUXBRTSA-N 2 0 344.430 3.460 20 0 EGADRP C[C@H](NCc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650754214 461935733 /nfs/dbraw/zinc/93/57/33/461935733.db2.gz DDPWVSCZADZUJU-OXJNMPFZSA-N 2 0 341.474 3.285 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC[C@H]2CCc3ccccc32)CC1 ZINC000660752622 461953793 /nfs/dbraw/zinc/95/37/93/461953793.db2.gz BUNUKQHBBHIHDD-LJQANCHMSA-N 2 0 329.532 3.112 20 0 EGADRP CC(C)O[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648047668 461957151 /nfs/dbraw/zinc/95/71/51/461957151.db2.gz MXFDFOUMLYEIIJ-HXUWFJFHSA-N 2 0 332.488 3.161 20 0 EGADRP CC(C)([NH3+])CCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000648165342 461994243 /nfs/dbraw/zinc/99/42/43/461994243.db2.gz JTTIJMACYHNUJG-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CCc1nc(C)cc(NCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000664282303 462002268 /nfs/dbraw/zinc/00/22/68/462002268.db2.gz BCHXGDPLEIGRMK-UHFFFAOYSA-N 2 0 325.460 3.067 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657300291 462028728 /nfs/dbraw/zinc/02/87/28/462028728.db2.gz LAVKTIACEXUXLS-OAQYLSRUSA-N 2 0 340.467 3.206 20 0 EGADRP c1c(CN2CCCN(c3cc[nH+]cc3)CC2)noc1-c1ccccc1 ZINC000639682622 462055244 /nfs/dbraw/zinc/05/52/44/462055244.db2.gz ZWBCWXLHOQIUHB-UHFFFAOYSA-N 2 0 334.423 3.449 20 0 EGADRP Cc1c[nH]c(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000657354878 462066591 /nfs/dbraw/zinc/06/65/91/462066591.db2.gz XKXARXULILVPOW-UHFFFAOYSA-N 2 0 332.879 3.373 20 0 EGADRP CC[C@@H](C)[N@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000661102793 462104728 /nfs/dbraw/zinc/10/47/28/462104728.db2.gz AINHWKGAVGFAMY-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657412760 462106808 /nfs/dbraw/zinc/10/68/08/462106808.db2.gz DSCWPWIKAQVKAR-PZJWPPBQSA-N 2 0 346.515 3.312 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664597885 462119340 /nfs/dbraw/zinc/11/93/40/462119340.db2.gz CVJFNFQDZAYEGC-KRWDZBQOSA-N 2 0 339.483 3.141 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2c(C)cccc2C)CC1 ZINC000661134887 462119978 /nfs/dbraw/zinc/11/99/78/462119978.db2.gz WXNFZMYIDAKRQS-LJQANCHMSA-N 2 0 343.515 3.041 20 0 EGADRP CC(C)(C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C[NH+]1CCCC1 ZINC000657448052 462130413 /nfs/dbraw/zinc/13/04/13/462130413.db2.gz RXYGAUPYCVTNRE-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537461 462172474 /nfs/dbraw/zinc/17/24/74/462172474.db2.gz LUCFPVKIRSLDMI-INIZCTEOSA-N 2 0 334.479 3.237 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000657563441 462182111 /nfs/dbraw/zinc/18/21/11/462182111.db2.gz ODQUCMIKTNAKDI-HXUWFJFHSA-N 2 0 347.522 3.295 20 0 EGADRP Cc1ccc2nc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)cn2c1 ZINC000657613496 462204233 /nfs/dbraw/zinc/20/42/33/462204233.db2.gz LQHNFERSMDZYOZ-UHFFFAOYSA-N 2 0 349.482 3.040 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](Nc2ncnc3[nH]c(C)c(C)c32)[C@H](C)C1 ZINC000645174315 462217247 /nfs/dbraw/zinc/21/72/47/462217247.db2.gz STEUSXSOBWIIAO-CJNGLKHVSA-N 2 0 345.491 3.124 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000667732091 462236471 /nfs/dbraw/zinc/23/64/71/462236471.db2.gz AEHHNHYSWMKFPK-LJQANCHMSA-N 2 0 338.455 3.104 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000667732708 462237387 /nfs/dbraw/zinc/23/73/87/462237387.db2.gz PUEMJUNTDBNQOP-UHFFFAOYSA-N 2 0 338.455 3.063 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000648784303 462276371 /nfs/dbraw/zinc/27/63/71/462276371.db2.gz LITQAYKPNRWXNP-YQVWRLOYSA-N 2 0 345.531 3.352 20 0 EGADRP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c2c(c1)OCCCO2 ZINC000657812527 462279726 /nfs/dbraw/zinc/27/97/26/462279726.db2.gz RJZSNWWWKXNYOC-UHFFFAOYSA-N 2 0 330.472 3.060 20 0 EGADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657833562 462287898 /nfs/dbraw/zinc/28/78/98/462287898.db2.gz VFDWMARORLIUOS-GOSISDBHSA-N 2 0 343.559 3.112 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc3cnccc3o2)cc1 ZINC000651681395 462301415 /nfs/dbraw/zinc/30/14/15/462301415.db2.gz NISNQXAYDZOKAM-UHFFFAOYSA-N 2 0 325.412 3.058 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2ccncc2s1 ZINC000657926211 462319582 /nfs/dbraw/zinc/31/95/82/462319582.db2.gz RKPUVHKQAKHLIR-IAOVAPTHSA-N 2 0 345.512 3.325 20 0 EGADRP COC(C)(C)[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645429734 462322749 /nfs/dbraw/zinc/32/27/49/462322749.db2.gz NZFVGUWRIKNHJO-QGZVFWFLSA-N 2 0 334.504 3.107 20 0 EGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OC1CCCC1 ZINC000665238464 462362940 /nfs/dbraw/zinc/36/29/40/462362940.db2.gz YWYYHGHGIOCDGO-FPCVCCKLSA-N 2 0 334.426 3.387 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCC1 ZINC000665246525 462367950 /nfs/dbraw/zinc/36/79/50/462367950.db2.gz HQQVVYPJIXDGGM-XUVXKRRUSA-N 2 0 327.516 3.291 20 0 EGADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164916 462414514 /nfs/dbraw/zinc/41/45/14/462414514.db2.gz GQRWPNGFARFROX-VQTJNVASSA-N 2 0 345.531 3.477 20 0 EGADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163917 462414754 /nfs/dbraw/zinc/41/47/54/462414754.db2.gz BXYRYLSHTIZQJA-WOJBJXKFSA-N 2 0 331.504 3.088 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(C)n1 ZINC000658167941 462416142 /nfs/dbraw/zinc/41/61/42/462416142.db2.gz UTPJPBKTLXZMRF-HNNXBMFYSA-N 2 0 339.487 3.051 20 0 EGADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652173680 462461093 /nfs/dbraw/zinc/46/10/93/462461093.db2.gz UNRBUDVAFGRJRZ-INIZCTEOSA-N 2 0 334.460 3.015 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000649278216 462465397 /nfs/dbraw/zinc/46/53/97/462465397.db2.gz TZBLWJIQDMTVIS-OAHLLOKOSA-N 2 0 337.533 3.155 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCN([C@H]4CCC[N@H+](C)C4)CC3)c2c1 ZINC000649278351 462466001 /nfs/dbraw/zinc/46/60/01/462466001.db2.gz NLKSRIQBDDMGOC-SFHVURJKSA-N 2 0 338.499 3.013 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)C1 ZINC000658305353 462467912 /nfs/dbraw/zinc/46/79/12/462467912.db2.gz ZHLVCFNAVVZZET-ZHALLVOQSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000645964237 462480197 /nfs/dbraw/zinc/48/01/97/462480197.db2.gz WFUYGNHLLLGCIM-RDJZCZTQSA-N 2 0 331.504 3.010 20 0 EGADRP [NH3+][C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000649343209 462481892 /nfs/dbraw/zinc/48/18/92/462481892.db2.gz ODAVTQWEJNERCD-SFHVURJKSA-N 2 0 349.906 3.253 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000658356158 462488481 /nfs/dbraw/zinc/48/84/81/462488481.db2.gz IUYNXWQUQSLRHE-OAHLLOKOSA-N 2 0 332.488 3.476 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000649365385 462488639 /nfs/dbraw/zinc/48/86/39/462488639.db2.gz BEYGDKXYRFZWAY-UHFFFAOYSA-N 2 0 337.467 3.257 20 0 EGADRP Cc1cc(C)n(CC[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000649416794 462503519 /nfs/dbraw/zinc/50/35/19/462503519.db2.gz LYTWPGCMDQMACG-NHCUHLMSSA-N 2 0 340.515 3.172 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000662108927 462527295 /nfs/dbraw/zinc/52/72/95/462527295.db2.gz SLGIFKNLVVTYHY-HXUWFJFHSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@H](CC1CC1)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163964458 533767821 /nfs/dbraw/zinc/76/78/21/533767821.db2.gz HRCUXHONEMJLHW-QGZVFWFLSA-N 2 0 346.515 3.454 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)s1 ZINC000159122721 534226233 /nfs/dbraw/zinc/22/62/33/534226233.db2.gz XYRWFLPYEGSCPC-HNNXBMFYSA-N 2 0 330.501 3.054 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178424875 534446826 /nfs/dbraw/zinc/44/68/26/534446826.db2.gz PXNMDYSBGQCMFU-WWGRRREGSA-N 2 0 325.294 3.310 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000132542687 528464705 /nfs/dbraw/zinc/46/47/05/528464705.db2.gz XKPOEVJDOCHMBE-RTBURBONSA-N 2 0 335.923 3.189 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC000178468480 528664466 /nfs/dbraw/zinc/66/44/66/528664466.db2.gz SVCTUTLUUFGRPF-FUHIMQAGSA-N 2 0 336.495 3.483 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000177986229 528668171 /nfs/dbraw/zinc/66/81/71/528668171.db2.gz LVYGDHHXJSYDIX-MJGOQNOKSA-N 2 0 334.504 3.230 20 0 EGADRP CCC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000186585315 529018375 /nfs/dbraw/zinc/01/83/75/529018375.db2.gz JCWHOXULCTUYPL-FXAWDEMLSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132981499 529031705 /nfs/dbraw/zinc/03/17/05/529031705.db2.gz IQKRHJMGNZLUKL-NQIIRXRSSA-N 2 0 348.506 3.483 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000132444100 529172322 /nfs/dbraw/zinc/17/23/22/529172322.db2.gz LQFYJMSINCHMSE-MOPGFXCFSA-N 2 0 339.474 3.278 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1)C1CC1 ZINC000338054756 535782945 /nfs/dbraw/zinc/78/29/45/535782945.db2.gz MPDUBLATGTXCLC-QGZVFWFLSA-N 2 0 343.515 3.133 20 0 EGADRP COc1ccc(Br)cc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000089520239 546644944 /nfs/dbraw/zinc/64/49/44/546644944.db2.gz OYNDXLVUGRYOMM-GFCCVEGCSA-N 2 0 341.293 3.278 20 0 EGADRP C[C@H]([NH2+]CCCOc1cccc2cccnc21)C1CC[NH+](C)CC1 ZINC000089627792 546646213 /nfs/dbraw/zinc/64/62/13/546646213.db2.gz UNXOLZAANHRJET-INIZCTEOSA-N 2 0 327.472 3.324 20 0 EGADRP CCC[N@@H+]1CC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171162 546654211 /nfs/dbraw/zinc/65/42/11/546654211.db2.gz NXVLDNXUUXXUSU-VQTJNVASSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000090418823 546657875 /nfs/dbraw/zinc/65/78/75/546657875.db2.gz MLKCYOBAUZRYFB-CQSZACIVSA-N 2 0 345.512 3.259 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000090723587 546659878 /nfs/dbraw/zinc/65/98/78/546659878.db2.gz BGTSHAZSYRCYHI-QGZVFWFLSA-N 2 0 346.515 3.202 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C1CC[NH+](C)CC1 ZINC000121916615 546729998 /nfs/dbraw/zinc/72/99/98/546729998.db2.gz GNOHYXWITNSWRI-LSDHHAIUSA-N 2 0 329.488 3.416 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000155388771 546901929 /nfs/dbraw/zinc/90/19/29/546901929.db2.gz MZFJUNVJSHWZRO-LBPRGKRZSA-N 2 0 341.293 3.278 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000165397857 546985054 /nfs/dbraw/zinc/98/50/54/546985054.db2.gz BEYACANFCTVCFN-MRXNPFEDSA-N 2 0 333.495 3.110 20 0 EGADRP O=C(CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000166355930 546987821 /nfs/dbraw/zinc/98/78/21/546987821.db2.gz INVPGEHUJZZBHI-DLBZAZTESA-N 2 0 335.879 3.275 20 0 EGADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000180460929 547056813 /nfs/dbraw/zinc/05/68/13/547056813.db2.gz KUKMUIPAOBPUTQ-UONOGXRCSA-N 2 0 345.466 3.021 20 0 EGADRP C[C@@H]([NH2+]CCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000313736277 547464144 /nfs/dbraw/zinc/46/41/44/547464144.db2.gz DWKFMIWRXZNRPI-CYBMUJFWSA-N 2 0 325.294 3.312 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000323832902 547471940 /nfs/dbraw/zinc/47/19/40/547471940.db2.gz ILYIRSBAANAKBE-IBGZPJMESA-N 2 0 329.532 3.415 20 0 EGADRP CC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339074325 547568940 /nfs/dbraw/zinc/56/89/40/547568940.db2.gz KCPHHZIOAYEMSC-NJYVYQBISA-N 2 0 327.516 3.040 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000387024436 547824430 /nfs/dbraw/zinc/82/44/30/547824430.db2.gz JAOMDZAACRYSMS-CYBMUJFWSA-N 2 0 327.875 3.156 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414927300 547861933 /nfs/dbraw/zinc/86/19/33/547861933.db2.gz OTWZUMWTDHPIFX-HUUCEWRRSA-N 2 0 334.414 3.127 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459438466 547942417 /nfs/dbraw/zinc/94/24/17/547942417.db2.gz HPZWQPIJHHRKRT-LEWJYISDSA-N 2 0 328.500 3.422 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)CN1CC[NH+](C)CC1 ZINC000474726100 547954551 /nfs/dbraw/zinc/95/45/51/547954551.db2.gz DVTOELUBFLVNHC-XNIRIUNOSA-N 2 0 349.485 3.217 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000671309259 548276233 /nfs/dbraw/zinc/27/62/33/548276233.db2.gz QTHRGMNBGKYRRC-SFTDATJTSA-N 2 0 344.499 3.305 20 0 EGADRP C[C@H](c1ccncc1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000674306342 548722855 /nfs/dbraw/zinc/72/28/55/548722855.db2.gz IRTJGNWNOCECTM-GOSISDBHSA-N 2 0 344.547 3.271 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC000675481056 548927581 /nfs/dbraw/zinc/92/75/81/548927581.db2.gz MXIPTUJNFZRETA-HXUWFJFHSA-N 2 0 345.531 3.409 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000675562810 548938618 /nfs/dbraw/zinc/93/86/18/548938618.db2.gz BOBJCQXJSSSUHL-HXUWFJFHSA-N 2 0 343.515 3.062 20 0 EGADRP CCCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000676045817 549027197 /nfs/dbraw/zinc/02/71/97/549027197.db2.gz WOLGMGHIZHBYHJ-RTWAWAEBSA-N 2 0 330.516 3.497 20 0 EGADRP Cn1nnc2cc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)ccc21 ZINC000676082414 549034696 /nfs/dbraw/zinc/03/46/96/549034696.db2.gz MEHMIKYNULZOEG-UHFFFAOYSA-N 2 0 341.503 3.056 20 0 EGADRP Cc1nc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676840035 549165385 /nfs/dbraw/zinc/16/53/85/549165385.db2.gz WFUPOIAFMFVVGN-IHRRRGAJSA-N 2 0 325.522 3.300 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C)S1 ZINC000678216040 549427545 /nfs/dbraw/zinc/42/75/45/549427545.db2.gz AZIZSQXGSMKBCO-IAGOWNOFSA-N 2 0 334.529 3.487 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000678284293 549459199 /nfs/dbraw/zinc/45/91/99/549459199.db2.gz ABWQLEFLRRVGME-UXHICEINSA-N 2 0 344.499 3.020 20 0 EGADRP CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000678340791 549473377 /nfs/dbraw/zinc/47/33/77/549473377.db2.gz QWWCLVWJKGMSAN-UXHICEINSA-N 2 0 346.515 3.407 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)n1 ZINC000678599162 549528736 /nfs/dbraw/zinc/52/87/36/549528736.db2.gz VTUNXNIPWIPAOA-VDGAXYAQSA-N 2 0 331.504 3.117 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000678609529 549530869 /nfs/dbraw/zinc/53/08/69/549530869.db2.gz XJEOBSKUWXTLQH-LRDDRELGSA-N 2 0 330.394 3.059 20 0 EGADRP C[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000678609527 549531161 /nfs/dbraw/zinc/53/11/61/549531161.db2.gz XJEOBSKUWXTLQH-BLLLJJGKSA-N 2 0 330.394 3.059 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000679188831 549652684 /nfs/dbraw/zinc/65/26/84/549652684.db2.gz CAPBPBOJQQNSKY-WOJBJXKFSA-N 2 0 339.483 3.141 20 0 EGADRP C[C@H]([NH2+]Cc1cnc2ccccn12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679288023 549680260 /nfs/dbraw/zinc/68/02/60/549680260.db2.gz BOVMEVYUPHQKCF-HKUYNNGSSA-N 2 0 334.467 3.335 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000680352260 549854329 /nfs/dbraw/zinc/85/43/29/549854329.db2.gz MUCLSAGUBLXUOX-NCYKPQTJSA-N 2 0 328.500 3.302 20 0 EGADRP C[C@@H]1C[NH+](CCCCNc2cc[nH+]c3c(O)cccc23)C[C@@H](C)O1 ZINC000682241117 550085507 /nfs/dbraw/zinc/08/55/07/550085507.db2.gz LQLYMERGOBCYKI-HUUCEWRRSA-N 2 0 329.444 3.242 20 0 EGADRP C[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC000682733917 550137898 /nfs/dbraw/zinc/13/78/98/550137898.db2.gz INKFWZJXYOADIV-AWEZNQCLSA-N 2 0 338.446 3.459 20 0 EGADRP CC[C@]1([NH2+]Cc2cccc(C[NH2+][C@@]3(CC)CCOC3)c2)CCOC1 ZINC000683044415 550182665 /nfs/dbraw/zinc/18/26/65/550182665.db2.gz FHTSIFAJLOKRDO-PMACEKPBSA-N 2 0 332.488 3.004 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC000683471701 550232459 /nfs/dbraw/zinc/23/24/59/550232459.db2.gz CRCKUCSHNGVNFL-GPJFCIFZSA-N 2 0 349.563 3.303 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000683690197 550254552 /nfs/dbraw/zinc/25/45/52/550254552.db2.gz YSOCGBBVKRAFIM-VQTJNVASSA-N 2 0 329.532 3.487 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000684113302 550292667 /nfs/dbraw/zinc/29/26/67/550292667.db2.gz CHHFXASVMQIJPO-FUHWJXTLSA-N 2 0 331.504 3.422 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccccc3C3CC3)CC2)CC1 ZINC000685455275 550418382 /nfs/dbraw/zinc/41/83/82/550418382.db2.gz HQJHBOIGXJSAGY-UHFFFAOYSA-N 2 0 327.516 3.023 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2ccccc2[nH]1 ZINC000685456045 550418410 /nfs/dbraw/zinc/41/84/10/550418410.db2.gz NTRSPBUVHYTIQQ-IBGZPJMESA-N 2 0 328.504 3.016 20 0 EGADRP C/C(=C/c1ccccc1)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457976 550419283 /nfs/dbraw/zinc/41/92/83/550419283.db2.gz VRGAQWCTNRZOCC-TXOBRMIJSA-N 2 0 327.516 3.190 20 0 EGADRP CCC[C@@]1(CO)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685477458 550422190 /nfs/dbraw/zinc/42/21/90/550422190.db2.gz HTACUZQXNKBVRI-OAQYLSRUSA-N 2 0 346.515 3.146 20 0 EGADRP CC(C)(CO)[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000685851356 550448151 /nfs/dbraw/zinc/44/81/51/550448151.db2.gz OGFRTISOBWDQGL-FQEVSTJZSA-N 2 0 346.515 3.048 20 0 EGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)CCCC[NH+]1CCCC1 ZINC000729335123 574843312 /nfs/dbraw/zinc/84/33/12/574843312.db2.gz RSUKTPSHKUNOAI-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000729348141 574844912 /nfs/dbraw/zinc/84/49/12/574844912.db2.gz MFTITTNIOKOPOA-QRVBRYPASA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1 ZINC000733165833 575312097 /nfs/dbraw/zinc/31/20/97/575312097.db2.gz MXHAGCPCTUKHIR-LJQANCHMSA-N 2 0 333.520 3.235 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323675 576253830 /nfs/dbraw/zinc/25/38/30/576253830.db2.gz BSFDKMLAHFKYHB-ICSRJNTNSA-N 3 0 329.532 3.219 20 0 EGADRP COc1ccc(Cl)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000742709521 576793761 /nfs/dbraw/zinc/79/37/61/576793761.db2.gz SEIDBWRNHYVFFK-HUUCEWRRSA-N 2 0 340.895 3.328 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000691736566 1298137522 /nfs/dbraw/zinc/13/75/22/1298137522.db2.gz WWMSBSZDJSKPLW-UYAOXDASSA-N 3 0 327.516 3.115 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000067223158 1292154452 /nfs/dbraw/zinc/15/44/52/1292154452.db2.gz ORRWCMWLLSFHHG-AWEZNQCLSA-N 2 0 341.293 3.279 20 0 EGADRP CN(C)[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccs1 ZINC000069645775 1292247130 /nfs/dbraw/zinc/24/71/30/1292247130.db2.gz HNBCDSAJGHEQGT-SFHVURJKSA-N 2 0 347.528 3.081 20 0 EGADRP COc1ccc(C)cc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000069711589 1292249128 /nfs/dbraw/zinc/24/91/28/1292249128.db2.gz XLEVZAWKJFFRSV-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3)cc2)CC1 ZINC000069785262 1292252178 /nfs/dbraw/zinc/25/21/78/1292252178.db2.gz KZVKAMMXQRSZIQ-UHFFFAOYSA-N 2 0 343.902 3.377 20 0 EGADRP C[C@@]1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000827956650 1292411813 /nfs/dbraw/zinc/41/18/13/1292411813.db2.gz IMTIGDHDPNXAQQ-HNNXBMFYSA-N 2 0 335.319 3.147 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(N(C)C)s2)c1 ZINC000077329434 1292460215 /nfs/dbraw/zinc/46/02/15/1292460215.db2.gz YOMBHIRCTAUKLH-UHFFFAOYSA-N 2 0 332.517 3.341 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000830136067 1292671624 /nfs/dbraw/zinc/67/16/24/1292671624.db2.gz PEVFJXIDGONNMR-IHPCNDPISA-N 2 0 343.515 3.030 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000083114175 1292679663 /nfs/dbraw/zinc/67/96/63/1292679663.db2.gz USSCKKIITNWSMS-SFHVURJKSA-N 2 0 344.503 3.043 20 0 EGADRP [NH3+]CCCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000830999617 1292799334 /nfs/dbraw/zinc/79/93/34/1292799334.db2.gz PVHCUMNFBSVWKY-OAQYLSRUSA-N 2 0 343.515 3.020 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1nc(Br)cs1 ZINC000834787458 1293148594 /nfs/dbraw/zinc/14/85/94/1293148594.db2.gz LJDJHKOSTOWYAH-JTQLQIEISA-N 2 0 344.322 3.431 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)OC[C@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC000835246127 1293242583 /nfs/dbraw/zinc/24/25/83/1293242583.db2.gz HUAAFRIQJQFJQA-GOSISDBHSA-N 2 0 342.439 3.163 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(Cl)ccc3F)CC2)CC1 ZINC000118988740 1293249623 /nfs/dbraw/zinc/24/96/23/1293249623.db2.gz JRZDIIAUECLVSD-UHFFFAOYSA-N 2 0 339.886 3.127 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000119137383 1293256592 /nfs/dbraw/zinc/25/65/92/1293256592.db2.gz GOCPZPBOOUUSAU-LBPRGKRZSA-N 2 0 349.828 3.084 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C[NH+]1CCCCC1 ZINC000121112417 1293356486 /nfs/dbraw/zinc/35/64/86/1293356486.db2.gz JSGGHGBBATYRKW-RXVVDRJESA-N 2 0 346.515 3.456 20 0 EGADRP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000128098735 1293582591 /nfs/dbraw/zinc/58/25/91/1293582591.db2.gz BIYKDTKSRAATLT-SJJHQCBESA-N 2 0 337.508 3.039 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000130460152 1293657479 /nfs/dbraw/zinc/65/74/79/1293657479.db2.gz ZROHSQFUVVHTCQ-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP C(CCC[N@@H+]1CCOC2(CCC2)C1)CC[NH+]1CCOC2(CCC2)C1 ZINC000154334474 1294051389 /nfs/dbraw/zinc/05/13/89/1294051389.db2.gz FPUULJZIIMERSH-UHFFFAOYSA-N 2 0 336.520 3.057 20 0 EGADRP C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000154704264 1294067108 /nfs/dbraw/zinc/06/71/08/1294067108.db2.gz LQOSMRJZVGOMHD-UHFFFAOYSA-N 2 0 344.286 3.206 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(C)nc3)CC2)cc1 ZINC000155643445 1294108224 /nfs/dbraw/zinc/10/82/24/1294108224.db2.gz VHOCUBAXKJEMCN-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC000158734840 1294213862 /nfs/dbraw/zinc/21/38/62/1294213862.db2.gz ACVBKGSYVVPXAK-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(C)oc2C)CC1 ZINC000163590287 1294336914 /nfs/dbraw/zinc/33/69/14/1294336914.db2.gz JWHMWASSXVOBJG-UHFFFAOYSA-N 2 0 341.499 3.324 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC000164580775 1294350643 /nfs/dbraw/zinc/35/06/43/1294350643.db2.gz RJCRWJWUPLFUAD-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H](CN1CCCCC1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177551993 1294677452 /nfs/dbraw/zinc/67/74/52/1294677452.db2.gz RGLFHVIVOZCYHN-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)ccc1O ZINC000184899515 1295227860 /nfs/dbraw/zinc/22/78/60/1295227860.db2.gz RMUDQDJSGZKELS-GFCCVEGCSA-N 2 0 327.266 3.291 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000186696302 1295343802 /nfs/dbraw/zinc/34/38/02/1295343802.db2.gz BPCSZJDTBQXDNI-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)cc1C[NH+]1CCCCC1 ZINC000189300905 1295514509 /nfs/dbraw/zinc/51/45/09/1295514509.db2.gz XMNKYYOZIUPIPC-ZWOKBUDYSA-N 2 0 346.515 3.493 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000870955669 1296153393 /nfs/dbraw/zinc/15/33/93/1296153393.db2.gz WOCACSBQUFHVHK-UHFFFAOYSA-N 2 0 345.531 3.031 20 0 EGADRP c1ccc(COc2cccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c2)nc1 ZINC000236728147 1296199506 /nfs/dbraw/zinc/19/95/06/1296199506.db2.gz PLFDBCIZYGPNIV-GOSISDBHSA-N 2 0 337.467 3.235 20 0 EGADRP c1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538136 1296593209 /nfs/dbraw/zinc/59/32/09/1296593209.db2.gz FLMVYEGTOHRYBY-PWRODBHTSA-N 2 0 327.516 3.161 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(O)c1F ZINC000872045721 1296696228 /nfs/dbraw/zinc/69/62/28/1296696228.db2.gz AUEIIECFJJBPJP-CQSZACIVSA-N 2 0 329.419 3.494 20 0 EGADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000872085956 1296725659 /nfs/dbraw/zinc/72/56/59/1296725659.db2.gz RFWMYFYIESCFFH-PMACEKPBSA-N 2 0 345.531 3.477 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC000872123641 1296751814 /nfs/dbraw/zinc/75/18/14/1296751814.db2.gz YYZMIZGWGVUTOU-UYAOXDASSA-N 2 0 338.499 3.161 20 0 EGADRP CC1(C)CCc2onc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2C1 ZINC000872143829 1296764829 /nfs/dbraw/zinc/76/48/29/1296764829.db2.gz XWDDZLAGFYRDEC-HOTGVXAUSA-N 2 0 331.504 3.401 20 0 EGADRP C[N@H+](CCCCCC[NH3+])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000872155302 1296772614 /nfs/dbraw/zinc/77/26/14/1296772614.db2.gz GZVMDRYLMXWAHQ-UHFFFAOYSA-N 2 0 342.365 3.105 20 0 EGADRP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(Cl)cc1Cl ZINC000872154968 1296774230 /nfs/dbraw/zinc/77/42/30/1296774230.db2.gz HSMYVYYXJHNANK-UHFFFAOYSA-N 2 0 332.275 3.383 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000872222821 1296825909 /nfs/dbraw/zinc/82/59/09/1296825909.db2.gz FPKBQYYSXOCTAR-QGZVFWFLSA-N 2 0 326.431 3.098 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000305133363 1296984913 /nfs/dbraw/zinc/98/49/13/1296984913.db2.gz NDBDMNDUGPIVRW-BRWVUGGUSA-N 2 0 339.524 3.144 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000305160704 1296988714 /nfs/dbraw/zinc/98/87/14/1296988714.db2.gz RIJFJADQJOIAFK-SFTDATJTSA-N 2 0 346.515 3.333 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000305241362 1297006578 /nfs/dbraw/zinc/00/65/78/1297006578.db2.gz ROMXIWTZMPFKOZ-YIYNPQHWSA-N 2 0 332.463 3.196 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592293 1297018577 /nfs/dbraw/zinc/01/85/77/1297018577.db2.gz XLFOMDKAHWJLRX-QFBILLFUSA-N 2 0 328.435 3.063 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592294 1297019266 /nfs/dbraw/zinc/01/92/66/1297019266.db2.gz XLFOMDKAHWJLRX-VQIMIIECSA-N 2 0 328.435 3.063 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000325389842 1297224781 /nfs/dbraw/zinc/22/47/81/1297224781.db2.gz ZLXPBTUESSNGLG-FUHWJXTLSA-N 2 0 329.488 3.247 20 0 EGADRP CCCN1CC[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350437 1297255570 /nfs/dbraw/zinc/25/55/70/1297255570.db2.gz NGDRUBFAZLGOGZ-CZUORRHYSA-N 2 0 325.294 3.454 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](n2cncn2)C1 ZINC000340522143 1297314104 /nfs/dbraw/zinc/31/41/04/1297314104.db2.gz BMZNBUVNRLMNFU-UXPWSPDFSA-N 2 0 345.535 3.395 20 0 EGADRP C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204320 1297351013 /nfs/dbraw/zinc/35/10/13/1297351013.db2.gz CVCZREPBZSEWSF-KSSFIOAISA-N 2 0 328.481 3.356 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCCCOc2ccccc2)C[C@@H]1C(F)(F)F ZINC000873227153 1297368423 /nfs/dbraw/zinc/36/84/23/1297368423.db2.gz CJYJLHWGBXBXSF-ZBFHGGJFSA-N 2 0 330.394 3.305 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259985 1297394497 /nfs/dbraw/zinc/39/44/97/1297394497.db2.gz QAKWEFNJCJTKBA-SAKMYQHLSA-N 2 0 344.503 3.398 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000873289164 1297411435 /nfs/dbraw/zinc/41/14/35/1297411435.db2.gz GEHKOUVWDUOUNN-GXTWGEPZSA-N 2 0 326.843 3.288 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2ccccc2n1 ZINC000873289979 1297412873 /nfs/dbraw/zinc/41/28/73/1297412873.db2.gz AFBLWJNWFUXPRS-WBVHZDCISA-N 2 0 325.456 3.044 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291704 1297414503 /nfs/dbraw/zinc/41/45/03/1297414503.db2.gz ICGQOYAGPVUIOV-VQIMIIECSA-N 2 0 344.499 3.166 20 0 EGADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000873294527 1297416897 /nfs/dbraw/zinc/41/68/97/1297416897.db2.gz WEGQFRCPHCZZJR-XUVXKRRUSA-N 2 0 328.500 3.146 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1C ZINC000365664080 1297508571 /nfs/dbraw/zinc/50/85/71/1297508571.db2.gz PASDGHVWPOMNAV-SJORKVTESA-N 2 0 340.471 3.244 20 0 EGADRP C[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C[NH+]1CCCC1 ZINC000382876347 1297564395 /nfs/dbraw/zinc/56/43/95/1297564395.db2.gz NPEVUKIAHQCOLD-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000393934521 1297674217 /nfs/dbraw/zinc/67/42/17/1297674217.db2.gz YSAXHZWEZCQVHN-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000401525504 1297742570 /nfs/dbraw/zinc/74/25/70/1297742570.db2.gz TWBUQFLBASIGJN-MRXNPFEDSA-N 2 0 339.524 3.237 20 0 EGADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000687673512 1298119955 /nfs/dbraw/zinc/11/99/55/1298119955.db2.gz YMQYKYRWRSRLTB-QAETUUGQSA-N 2 0 339.524 3.190 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC000692134117 1298140288 /nfs/dbraw/zinc/14/02/88/1298140288.db2.gz AAIVZIKVCWZFGH-IRXDYDNUSA-N 2 0 339.524 3.240 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000692963871 1298146743 /nfs/dbraw/zinc/14/67/43/1298146743.db2.gz PNQJOVZKPCMERI-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700804795 1298179261 /nfs/dbraw/zinc/17/92/61/1298179261.db2.gz RFQSSEQEKHUTBR-IRXDYDNUSA-N 2 0 341.540 3.391 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715394509 1298280324 /nfs/dbraw/zinc/28/03/24/1298280324.db2.gz OEWCVLYAHPVEEZ-MBPVOVBZSA-N 2 0 328.500 3.444 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000717502642 1298302264 /nfs/dbraw/zinc/30/22/64/1298302264.db2.gz MIPLWSNDNBFEHA-IBGZPJMESA-N 2 0 345.531 3.121 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000876963985 1299091291 /nfs/dbraw/zinc/09/12/91/1299091291.db2.gz OEUQNKZVKPPWDM-INIZCTEOSA-N 2 0 339.524 3.003 20 0 EGADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000749258620 1299180083 /nfs/dbraw/zinc/18/00/83/1299180083.db2.gz RLYYLHYZMPEEFV-QLOJAFMTSA-N 2 0 347.547 3.307 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)o1 ZINC000877403855 1299281599 /nfs/dbraw/zinc/28/15/99/1299281599.db2.gz VDUXSOARRZBSDL-GOSISDBHSA-N 2 0 347.503 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877448024 1299308596 /nfs/dbraw/zinc/30/85/96/1299308596.db2.gz CAVMWIXWNKHQHZ-QXAKKESOSA-N 2 0 335.536 3.007 20 0 EGADRP COc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000877698232 1299490285 /nfs/dbraw/zinc/49/02/85/1299490285.db2.gz WBYAZTRBRGXTDI-UHFFFAOYSA-N 2 0 336.476 3.010 20 0 EGADRP COC(=O)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754462306 1300148127 /nfs/dbraw/zinc/14/81/27/1300148127.db2.gz FAHGKDPYTIDTMX-VQIMIIECSA-N 2 0 344.499 3.145 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)[NH+]1CCCCC1 ZINC000754869532 1300234088 /nfs/dbraw/zinc/23/40/88/1300234088.db2.gz NCGNXWOZJHIMTJ-GOSISDBHSA-N 2 0 335.467 3.336 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247778 1300453235 /nfs/dbraw/zinc/45/32/35/1300453235.db2.gz FVCIXHHPTSZWQE-KRWDZBQOSA-N 2 0 343.515 3.384 20 0 EGADRP COc1cncc(/C=C\CC[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC000879251004 1300454568 /nfs/dbraw/zinc/45/45/68/1300454568.db2.gz OCOJQJLCGOEZTO-HYXAFXHYSA-N 2 0 329.488 3.301 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759161691 1301029354 /nfs/dbraw/zinc/02/93/54/1301029354.db2.gz WYCBNASOXASPJP-INIZCTEOSA-N 2 0 341.540 3.247 20 0 EGADRP C[NH+](C)CC1(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000760898338 1301360742 /nfs/dbraw/zinc/36/07/42/1301360742.db2.gz REAVNSVCGKXKJM-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CC23CCC3)CC1 ZINC000763217359 1301849260 /nfs/dbraw/zinc/84/92/60/1301849260.db2.gz SWLJSZBGGSIJOA-KRWDZBQOSA-N 2 0 333.520 3.075 20 0 EGADRP COc1cc2cc[nH+]c(N3CCC(C)([NH+]4CCC4)CC3)c2cc1OC ZINC000882962594 1302185149 /nfs/dbraw/zinc/18/51/49/1302185149.db2.gz YEEAYKFRPNRYMK-UHFFFAOYSA-N 2 0 341.455 3.317 20 0 EGADRP c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C[C@@H]1CCCN21 ZINC000883462664 1302453599 /nfs/dbraw/zinc/45/35/99/1302453599.db2.gz WXXGGLNRROVLSR-NRFANRHFSA-N 2 0 333.479 3.317 20 0 EGADRP C[C@H]([NH2+]CCNc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000766514979 1302466674 /nfs/dbraw/zinc/46/66/74/1302466674.db2.gz KGNLCOYCWDLVAN-KRWDZBQOSA-N 2 0 327.472 3.390 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000885948624 1303292542 /nfs/dbraw/zinc/29/25/42/1303292542.db2.gz AKLLZUGPIAKXIT-FQEVSTJZSA-N 2 0 346.515 3.345 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000886022604 1303321723 /nfs/dbraw/zinc/32/17/23/1303321723.db2.gz GXCIRQYNHLQPEL-XCMRKIRBSA-N 2 0 332.463 3.196 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000771791397 1303443319 /nfs/dbraw/zinc/44/33/19/1303443319.db2.gz KNHNUUZGOBZYAN-WBVHZDCISA-N 2 0 345.512 3.126 20 0 EGADRP C[NH+](C[C@H]1CCCCO1)[C@H]1CC[C@H]([N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000886392113 1303454848 /nfs/dbraw/zinc/45/48/48/1303454848.db2.gz VNOAILSQXOCUMV-UAFMIMERSA-N 2 0 338.536 3.299 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)cc1C[NH+]1CCCCC1 ZINC000775414732 1303960662 /nfs/dbraw/zinc/96/06/62/1303960662.db2.gz ITDWVOYAJISDNF-OXQOHEQNSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000775491841 1303972809 /nfs/dbraw/zinc/97/28/09/1303972809.db2.gz MEZNXMHQAWYSNQ-IRFCIJBXSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000775491840 1303973088 /nfs/dbraw/zinc/97/30/88/1303973088.db2.gz MEZNXMHQAWYSNQ-DYXWJJEUSA-N 2 0 329.532 3.361 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@@H](C)C1 ZINC000779085222 1304527971 /nfs/dbraw/zinc/52/79/71/1304527971.db2.gz KUYVKSOJDVEEHA-JBACZVJFSA-N 2 0 348.531 3.011 20 0 EGADRP Cc1ccccc1OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780330930 1304678202 /nfs/dbraw/zinc/67/82/02/1304678202.db2.gz JQVBKZHQCAWQQM-UHFFFAOYSA-N 2 0 346.515 3.198 20 0 EGADRP Cc1ccc2cc(C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)ccc2n1 ZINC000782529384 1304986451 /nfs/dbraw/zinc/98/64/51/1304986451.db2.gz MFCDMKQTJPUTQR-HXUWFJFHSA-N 2 0 339.483 3.276 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000891724885 1305147947 /nfs/dbraw/zinc/14/79/47/1305147947.db2.gz JENFAVRXIXDUHM-UHFFFAOYSA-N 2 0 336.426 3.201 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC000891930463 1305212394 /nfs/dbraw/zinc/21/23/94/1305212394.db2.gz WQIONKHRLMUZNF-QGZVFWFLSA-N 2 0 340.414 3.003 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000892333417 1305320885 /nfs/dbraw/zinc/32/08/85/1305320885.db2.gz CZKZKWBLVKMYFT-GYMWCJPTSA-N 2 0 343.515 3.333 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCS(=O)CC2)cc1 ZINC000892570550 1305446147 /nfs/dbraw/zinc/44/61/47/1305446147.db2.gz LXWDFGSVECWSHT-VHJYZYJHSA-N 2 0 334.529 3.062 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000892581637 1305452191 /nfs/dbraw/zinc/45/21/91/1305452191.db2.gz ZVJZBGSDZDOLGA-ROUUACIJSA-N 2 0 334.504 3.202 20 0 EGADRP O=S1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000892738061 1305529602 /nfs/dbraw/zinc/52/96/02/1305529602.db2.gz BMGQJWRWDCHSPQ-UHFFFAOYSA-N 2 0 334.529 3.063 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(O)cc(Cl)c2)C[C@H](C)O1 ZINC000893037775 1305675667 /nfs/dbraw/zinc/67/56/67/1305675667.db2.gz JHMUUFHPGQHJFR-OKILXGFUSA-N 2 0 326.868 3.025 20 0 EGADRP CC[C@](C)(COc1ncccc1Cl)[NH2+]CC1CC[NH+](C)CC1 ZINC000893191557 1305754046 /nfs/dbraw/zinc/75/40/46/1305754046.db2.gz NWJHRXVVGMFXIQ-QGZVFWFLSA-N 2 0 325.884 3.214 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000788242358 1305906739 /nfs/dbraw/zinc/90/67/39/1305906739.db2.gz FEQOJZDZSMVJJR-SJORKVTESA-N 2 0 339.524 3.288 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2csc(C(=O)OC)c2)c1 ZINC000894241480 1306297779 /nfs/dbraw/zinc/29/77/79/1306297779.db2.gz IZQGZHRVNLCGRL-UHFFFAOYSA-N 2 0 332.469 3.276 20 0 EGADRP CC(C)Oc1ccc([C@@H](C[NH2+]CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000894510819 1308931377 /nfs/dbraw/zinc/93/13/77/1308931377.db2.gz MQKNRZCSUYSGPG-HXUWFJFHSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000894558490 1308952712 /nfs/dbraw/zinc/95/27/12/1308952712.db2.gz PUGQDDYXRNWYOS-INIZCTEOSA-N 2 0 329.488 3.196 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]1C ZINC000793001431 1309279729 /nfs/dbraw/zinc/27/97/29/1309279729.db2.gz QMKNNVRFTBREJE-BAJPUEBJSA-N 2 0 336.520 3.351 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)C2)cc1 ZINC000793207676 1309317774 /nfs/dbraw/zinc/31/77/74/1309317774.db2.gz RIZXEEAOYNEREL-AKHDSKFASA-N 2 0 348.581 3.478 20 0 EGADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCOC2(CCC2)C1 ZINC000895820644 1309535761 /nfs/dbraw/zinc/53/57/61/1309535761.db2.gz HQAYHNUWLSJAHO-LJQANCHMSA-N 2 0 329.488 3.379 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000895959336 1309614299 /nfs/dbraw/zinc/61/42/99/1309614299.db2.gz XUMRASNNSIBWFD-GOSISDBHSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798072463 1310291117 /nfs/dbraw/zinc/29/11/17/1310291117.db2.gz KTRRWBYXTAGRLZ-LJQANCHMSA-N 2 0 335.536 3.166 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000897362783 1310307530 /nfs/dbraw/zinc/30/75/30/1310307530.db2.gz CDLVEKJDMQEKCT-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(CCO)cc3)CC2)C1 ZINC000898170688 1310610803 /nfs/dbraw/zinc/61/08/03/1310610803.db2.gz JSJAWLSCASJNER-DYESRHJHSA-N 2 0 330.516 3.354 20 0 EGADRP CC(C)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1ccccc1 ZINC000839070556 1320861927 /nfs/dbraw/zinc/86/19/27/1320861927.db2.gz VUMYFFVRQKXKAX-SFTDATJTSA-N 2 0 339.483 3.398 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857281325 1328526042 /nfs/dbraw/zinc/52/60/42/1328526042.db2.gz XQTAHXDHYGWOEI-YLJYHZDGSA-N 2 0 343.515 3.052 20 0 EGADRP CCN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000857310859 1328528146 /nfs/dbraw/zinc/52/81/46/1328528146.db2.gz JEGKOBVFCDTRJU-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC000929506862 1328619433 /nfs/dbraw/zinc/61/94/33/1328619433.db2.gz PPVQZZSLTBEKOQ-NRFANRHFSA-N 2 0 348.531 3.006 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1cccc(Cl)c1 ZINC001018962989 1316987769 /nfs/dbraw/zinc/98/77/69/1316987769.db2.gz SYULHFKKXIZCED-PBHICJAKSA-N 2 0 349.906 3.076 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018990822 1316995987 /nfs/dbraw/zinc/99/59/87/1316995987.db2.gz QTXFTGYXYITJRR-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC001019035053 1317016179 /nfs/dbraw/zinc/01/61/79/1317016179.db2.gz XCPBZNWTWUQRMC-RBUKOAKNSA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019076129 1317036531 /nfs/dbraw/zinc/03/65/31/1317036531.db2.gz NAOWBNGVVVIXEZ-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C1C[NH+](CCC(C)(C)C)C1 ZINC000957118003 1317198481 /nfs/dbraw/zinc/19/84/81/1317198481.db2.gz QLKVXVNKTHPTAS-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900013546 1317218017 /nfs/dbraw/zinc/21/80/17/1317218017.db2.gz KPMQIYZARIRWKS-IXDOHACOSA-N 2 0 347.528 3.018 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000957283491 1317260595 /nfs/dbraw/zinc/26/05/95/1317260595.db2.gz BEQKXXAHEXUHHD-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000900713346 1317327348 /nfs/dbraw/zinc/32/73/48/1317327348.db2.gz YZDFLICUVVVFHG-IYWMVGAKSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957555410 1317452357 /nfs/dbraw/zinc/45/23/57/1317452357.db2.gz BJOHEWUAQPNCOZ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020028775 1317508014 /nfs/dbraw/zinc/50/80/14/1317508014.db2.gz JIPDDNVXYCAXOF-XLAORIBOSA-N 2 0 349.906 3.122 20 0 EGADRP CC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000902351562 1317566337 /nfs/dbraw/zinc/56/63/37/1317566337.db2.gz ZRWIRUJENBJWPK-SFHVURJKSA-N 2 0 330.520 3.186 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000902372079 1317569557 /nfs/dbraw/zinc/56/95/57/1317569557.db2.gz QVIMHGMHMZVXQP-HUUCEWRRSA-N 2 0 330.394 3.107 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000902428795 1317577534 /nfs/dbraw/zinc/57/75/34/1317577534.db2.gz AKTRVWPWMVMVLU-WIYYLYMNSA-N 2 0 344.499 3.285 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1)C(C)C ZINC000957720484 1317589056 /nfs/dbraw/zinc/58/90/56/1317589056.db2.gz POYXJTXHQWVPIG-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020213918 1317596139 /nfs/dbraw/zinc/59/61/39/1317596139.db2.gz AQYPZTCXNVGLOD-FHWLQOOXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020238899 1317604197 /nfs/dbraw/zinc/60/41/97/1317604197.db2.gz HMUHJEMCLBPGQO-FHWLQOOXSA-N 2 0 347.547 3.066 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000957744785 1317610354 /nfs/dbraw/zinc/61/03/54/1317610354.db2.gz OHDIMTBCYBLMHA-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000902789610 1317616489 /nfs/dbraw/zinc/61/64/89/1317616489.db2.gz LJCIHLGJBLESHS-NJDAHSKKSA-N 2 0 330.516 3.488 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](CC)Cc2ccccc2)CC1)[NH+](C)C ZINC000957753617 1317621911 /nfs/dbraw/zinc/62/19/11/1317621911.db2.gz YXUNMEPARGJFOK-FQEVSTJZSA-N 2 0 345.531 3.087 20 0 EGADRP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000902833027 1317622042 /nfs/dbraw/zinc/62/20/42/1317622042.db2.gz UMPVVPLZUWABOV-CTNGQTDRSA-N 2 0 346.515 3.081 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000957786361 1317644778 /nfs/dbraw/zinc/64/47/78/1317644778.db2.gz NEXRCLFQVYYYKI-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000903074677 1317648166 /nfs/dbraw/zinc/64/81/66/1317648166.db2.gz WDGMYPAKMWVEAZ-FQEVSTJZSA-N 2 0 325.456 3.263 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C2 ZINC000903116352 1317655527 /nfs/dbraw/zinc/65/55/27/1317655527.db2.gz HJFYHNRINSYGOY-RNEPCJONSA-N 2 0 338.442 3.095 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC(c3ccc(F)cc3)C1)C2 ZINC000903117678 1317657063 /nfs/dbraw/zinc/65/70/63/1317657063.db2.gz VKQAYUNFZHLDLN-ZWCODDFTSA-N 2 0 346.490 3.141 20 0 EGADRP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000903172593 1317667412 /nfs/dbraw/zinc/66/74/12/1317667412.db2.gz SDFZWRATCUORNV-NGMPGZOMSA-N 2 0 339.527 3.397 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903214067 1317674829 /nfs/dbraw/zinc/67/48/29/1317674829.db2.gz WRYVAZFBFWAEJZ-SWSHNKPGSA-N 2 0 339.527 3.317 20 0 EGADRP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C2CC2)cn1 ZINC000903208901 1317674963 /nfs/dbraw/zinc/67/49/63/1317674963.db2.gz BQVDUPJHIFILMF-WQHGSSGSSA-N 2 0 327.472 3.289 20 0 EGADRP Cc1ncccc1CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000903414720 1317697656 /nfs/dbraw/zinc/69/76/56/1317697656.db2.gz DGJLZDAALRJTBP-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000903440639 1317700162 /nfs/dbraw/zinc/70/01/62/1317700162.db2.gz RTRZOXDOWSLEOI-GDXKHXNESA-N 2 0 348.490 3.430 20 0 EGADRP Fc1ccccc1CC1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903730318 1317727450 /nfs/dbraw/zinc/72/74/50/1317727450.db2.gz VJEYEDLCJYZVIO-IBGZPJMESA-N 2 0 346.490 3.239 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1c1ccccc1 ZINC000903735427 1317728497 /nfs/dbraw/zinc/72/84/97/1317728497.db2.gz ZUOPKCMZYAZODC-RLLQIKCJSA-N 2 0 328.500 3.271 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020500189 1317730579 /nfs/dbraw/zinc/73/05/79/1317730579.db2.gz QKKHGHGQVBGHQN-WFAGLZIHSA-N 2 0 349.563 3.172 20 0 EGADRP Clc1ccc2c(c1Cl)CN(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765444 1317731192 /nfs/dbraw/zinc/73/11/92/1317731192.db2.gz HIKLDJKMEUXAJO-CXAGYDPISA-N 2 0 341.282 3.120 20 0 EGADRP C[C@]1(Cc2cccs2)CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789220 1317733759 /nfs/dbraw/zinc/73/37/59/1317733759.db2.gz UWFKJCSLSMMODX-FUHWJXTLSA-N 2 0 334.529 3.304 20 0 EGADRP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786943 1317733909 /nfs/dbraw/zinc/73/39/09/1317733909.db2.gz QZTJCHUQXAYGPT-FUHWJXTLSA-N 2 0 342.483 3.181 20 0 EGADRP COCCC[N@H+](CCc1ccc(OC)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895018 1317743736 /nfs/dbraw/zinc/74/37/36/1317743736.db2.gz JPMGHOWFOMZHRW-IHWFROFDSA-N 2 0 346.515 3.107 20 0 EGADRP O=C(CCC1CCCCC1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904056 1317746594 /nfs/dbraw/zinc/74/65/94/1317746594.db2.gz OJXPGSCNLDMKAE-IHWFROFDSA-N 2 0 347.547 3.022 20 0 EGADRP Brc1ccccc1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903922128 1317748706 /nfs/dbraw/zinc/74/87/06/1317748706.db2.gz VEPXHFDSRUMVDO-UHFFFAOYSA-N 2 0 331.257 3.385 20 0 EGADRP Cc1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000903959168 1317756187 /nfs/dbraw/zinc/75/61/87/1317756187.db2.gz CHGXPGZTPGBOFI-NRFANRHFSA-N 2 0 338.499 3.361 20 0 EGADRP Cc1oc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980645 1317760494 /nfs/dbraw/zinc/76/04/94/1317760494.db2.gz WQGCNLCDQZEDRK-HDICACEKSA-N 2 0 339.483 3.142 20 0 EGADRP Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1Cl ZINC000903980375 1317760711 /nfs/dbraw/zinc/76/07/11/1317760711.db2.gz POUKZKZXZSKPEK-HDICACEKSA-N 2 0 333.907 3.049 20 0 EGADRP C[C@]1(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904370990 1317837701 /nfs/dbraw/zinc/83/77/01/1317837701.db2.gz GZHXHWAOGXLYSH-CABCVRRESA-N 2 0 334.426 3.057 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000904368819 1317838029 /nfs/dbraw/zinc/83/80/29/1317838029.db2.gz VUIJUNJWGNRKKW-RVWIWJKTSA-N 2 0 335.495 3.131 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)C1 ZINC000904372311 1317838089 /nfs/dbraw/zinc/83/80/89/1317838089.db2.gz AWXNGTHRPFPNQL-PBHICJAKSA-N 2 0 342.405 3.482 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000904406762 1317843130 /nfs/dbraw/zinc/84/31/30/1317843130.db2.gz VVGLFRILZWETND-JTQLQIEISA-N 2 0 349.219 3.221 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000904405546 1317843613 /nfs/dbraw/zinc/84/36/13/1317843613.db2.gz NNAMEYGPUHJROI-KRWDZBQOSA-N 2 0 347.466 3.105 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020675915 1317852172 /nfs/dbraw/zinc/85/21/72/1317852172.db2.gz KKWUIJAMYGBVSJ-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)([NH3+])c1ccc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000904605360 1317868362 /nfs/dbraw/zinc/86/83/62/1317868362.db2.gz TXRRBAYYDDPWIW-UHFFFAOYSA-N 2 0 344.503 3.363 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000809737805 1317884078 /nfs/dbraw/zinc/88/40/78/1317884078.db2.gz LKMUPSVFXKOGEV-UHFFFAOYSA-N 2 0 349.519 3.483 20 0 EGADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000809750265 1317890179 /nfs/dbraw/zinc/89/01/79/1317890179.db2.gz RXLBISCFSALTLR-KRWDZBQOSA-N 2 0 339.524 3.194 20 0 EGADRP COc1cccc2cc(C[NH2+]CC3(SC)CC[NH+](C)CC3)oc21 ZINC000810170625 1317967886 /nfs/dbraw/zinc/96/78/86/1317967886.db2.gz QJAQSPRBPZTJOI-UHFFFAOYSA-N 2 0 334.485 3.358 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC[NH+](C)CC1 ZINC000810252072 1317986387 /nfs/dbraw/zinc/98/63/87/1317986387.db2.gz HKEWPIPTRSUXMR-INIZCTEOSA-N 2 0 344.528 3.350 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020927652 1318001002 /nfs/dbraw/zinc/00/10/02/1318001002.db2.gz NPAKPOFWZYTJPX-LWYYNNOASA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc[nH+]c(CO)c2)C1 ZINC000858351662 1328742999 /nfs/dbraw/zinc/74/29/99/1328742999.db2.gz MVIDUVRXLKFGNX-MRXNPFEDSA-N 2 0 325.456 3.418 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001021211444 1318142486 /nfs/dbraw/zinc/14/24/86/1318142486.db2.gz WPAUPJXYIQXMJZ-NXEWRWPSSA-N 2 0 345.531 3.083 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001021262944 1318162499 /nfs/dbraw/zinc/16/24/99/1318162499.db2.gz GMCZSRSPFBBFNN-HDDXRBDOSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021399703 1318232406 /nfs/dbraw/zinc/23/24/06/1318232406.db2.gz OVJWCDGULJVLQK-RAFMOHDBSA-N 2 0 347.547 3.161 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)[C@@H](C)C1 ZINC000930001784 1328762077 /nfs/dbraw/zinc/76/20/77/1328762077.db2.gz WFHANCGDNFSCKR-OXJNMPFZSA-N 2 0 340.515 3.463 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000960041626 1318324775 /nfs/dbraw/zinc/32/47/75/1318324775.db2.gz BIBCSGUTCUITKQ-ZYSHUDEJSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1c(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)ccc2c[nH+]cn21 ZINC000960046777 1318329252 /nfs/dbraw/zinc/32/92/52/1318329252.db2.gz JOHKFCBOKZHHFX-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP OCc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000858432808 1328760923 /nfs/dbraw/zinc/76/09/23/1328760923.db2.gz XLGDPZDWJUQLRS-OAQYLSRUSA-N 2 0 337.467 3.066 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1F)[NH+](C)C ZINC000960130155 1318372526 /nfs/dbraw/zinc/37/25/26/1318372526.db2.gz GIDHGUJIEZEOAI-BXWFABGCSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1)[NH+](C)C ZINC000960134817 1318375610 /nfs/dbraw/zinc/37/56/10/1318375610.db2.gz CDICPQRYZRZEFN-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000812701515 1318443042 /nfs/dbraw/zinc/44/30/42/1318443042.db2.gz WQWFVOMUGMMJFA-KRWDZBQOSA-N 2 0 348.535 3.010 20 0 EGADRP OCc1cc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000858480672 1328774747 /nfs/dbraw/zinc/77/47/47/1328774747.db2.gz ZQVYTSPSAXXDIR-IOMROCGXSA-N 2 0 337.467 3.287 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700569 1318572972 /nfs/dbraw/zinc/57/29/72/1318572972.db2.gz RGDDEKDFXVTDPE-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001022069973 1318788624 /nfs/dbraw/zinc/78/86/24/1318788624.db2.gz PUYJDZGAIZMPFA-RSPOEFSDSA-N 2 0 343.515 3.166 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960688235 1318793601 /nfs/dbraw/zinc/79/36/01/1318793601.db2.gz FNMOGOSGJWHTGQ-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC000960689474 1318794316 /nfs/dbraw/zinc/79/43/16/1318794316.db2.gz PSSRIYJPKSTXKB-PMACEKPBSA-N 2 0 345.531 3.004 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)c1ccccc1 ZINC001022106462 1318797330 /nfs/dbraw/zinc/79/73/30/1318797330.db2.gz JDQCRWNJUIVDTG-PXTPFGJHSA-N 2 0 343.515 3.105 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C)CC1CCCCCC1 ZINC000960712804 1318818133 /nfs/dbraw/zinc/81/81/33/1318818133.db2.gz UYQAEFRWYZYKBF-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022201370 1318839458 /nfs/dbraw/zinc/83/94/58/1318839458.db2.gz HMUHJEMCLBPGQO-CEXWTWQISA-N 2 0 347.547 3.066 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001022279425 1318872487 /nfs/dbraw/zinc/87/24/87/1318872487.db2.gz XYVYBNYESACPTB-YRPNKDGESA-N 2 0 347.547 3.211 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960811565 1318930507 /nfs/dbraw/zinc/93/05/07/1318930507.db2.gz BVYVCOBHNUHTDU-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1)C(C)C ZINC000912879465 1318949239 /nfs/dbraw/zinc/94/92/39/1318949239.db2.gz BZDLCGAHDXAVPG-UHFFFAOYSA-N 2 0 343.515 3.227 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)CC1 ZINC000960830101 1318957574 /nfs/dbraw/zinc/95/75/74/1318957574.db2.gz AAORYDNOJVJJNO-QLOJAFMTSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000815647636 1319035832 /nfs/dbraw/zinc/03/58/32/1319035832.db2.gz QIHOSPZJIBFMJO-KRWDZBQOSA-N 2 0 344.503 3.133 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2=CCCCC2)CC1 ZINC000960940279 1319079693 /nfs/dbraw/zinc/07/96/93/1319079693.db2.gz MNUUAXUKJVVWJU-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC000961031721 1319156166 /nfs/dbraw/zinc/15/61/66/1319156166.db2.gz NRYDRTKOYCFCFE-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)Cn1ccnc1)CC1CCC(C)(C)CC1 ZINC000961034920 1319159228 /nfs/dbraw/zinc/15/92/28/1319159228.db2.gz ALRCASUABDFYBZ-GOSISDBHSA-N 2 0 346.519 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022957351 1319187198 /nfs/dbraw/zinc/18/71/98/1319187198.db2.gz TZDODFIZAFAIQW-ZCNNSNEGSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188698 1319301373 /nfs/dbraw/zinc/30/13/73/1319301373.db2.gz XBWPBMINYUWRMA-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253640 1319399201 /nfs/dbraw/zinc/39/92/01/1319399201.db2.gz RFLGWBONFPCNMG-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253637 1319399987 /nfs/dbraw/zinc/39/99/87/1319399987.db2.gz RFLGWBONFPCNMG-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000817906134 1319456790 /nfs/dbraw/zinc/45/67/90/1319456790.db2.gz UTEHHRMGRXRHAD-XJKCOSOUSA-N 2 0 328.859 3.413 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000817905511 1319457233 /nfs/dbraw/zinc/45/72/33/1319457233.db2.gz JIHGITNBLMOILO-DANNLKNASA-N 2 0 326.843 3.023 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961374148 1319530082 /nfs/dbraw/zinc/53/00/82/1319530082.db2.gz JRHKBKCQAPCQBD-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466679 1319564498 /nfs/dbraw/zinc/56/44/98/1319564498.db2.gz LBLAPRGVEHJJCH-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1)[NH+](C)C ZINC000961410767 1319567308 /nfs/dbraw/zinc/56/73/08/1319567308.db2.gz IMZGIEBPCRYSSV-UXHICEINSA-N 2 0 349.563 3.243 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000961410713 1319567729 /nfs/dbraw/zinc/56/77/29/1319567729.db2.gz CUUYVANVGYLIEE-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000818964183 1319593399 /nfs/dbraw/zinc/59/33/99/1319593399.db2.gz NEUBABZFBFQESN-HXUWFJFHSA-N 2 0 330.447 3.491 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000818975465 1319600966 /nfs/dbraw/zinc/60/09/66/1319600966.db2.gz XOSWCRJUHCGFAX-MRXNPFEDSA-N 2 0 330.394 3.060 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000819105687 1319635860 /nfs/dbraw/zinc/63/58/60/1319635860.db2.gz HPEZJBBFFRFJAJ-QGZVFWFLSA-N 2 0 344.421 3.450 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000819266101 1319684390 /nfs/dbraw/zinc/68/43/90/1319684390.db2.gz DPEDJINZNNVZDF-KRWDZBQOSA-N 2 0 343.298 3.491 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001023569930 1319685031 /nfs/dbraw/zinc/68/50/31/1319685031.db2.gz WPQYSOXZGUOZMN-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000819333260 1319701595 /nfs/dbraw/zinc/70/15/95/1319701595.db2.gz HWEIJSBNHSWEPE-QGZVFWFLSA-N 2 0 328.859 3.368 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000819361570 1319709643 /nfs/dbraw/zinc/70/96/43/1319709643.db2.gz HYIDOSPCHJFAPG-MRXNPFEDSA-N 2 0 330.394 3.203 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000819376128 1319713545 /nfs/dbraw/zinc/71/35/45/1319713545.db2.gz XDMSHPULYRQDDE-UYSNPLJNSA-N 2 0 330.394 3.201 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961829046 1319743475 /nfs/dbraw/zinc/74/34/75/1319743475.db2.gz NBLFTOHEVMABOY-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000962217320 1319863723 /nfs/dbraw/zinc/86/37/23/1319863723.db2.gz RRCFVYPJXRVUMC-GPJFCIFZSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000917840296 1319880537 /nfs/dbraw/zinc/88/05/37/1319880537.db2.gz UZQATAVSPSAREJ-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023763590 1319910218 /nfs/dbraw/zinc/91/02/18/1319910218.db2.gz UREXTHOSFGCESL-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000820806207 1319954824 /nfs/dbraw/zinc/95/48/24/1319954824.db2.gz CDYRTHSMQPLVIH-RAFMOHDBSA-N 2 0 340.467 3.488 20 0 EGADRP COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000820810172 1319958285 /nfs/dbraw/zinc/95/82/85/1319958285.db2.gz QQZNRKFHYJWALF-QRWLVFNGSA-N 2 0 328.456 3.141 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000820810142 1319959712 /nfs/dbraw/zinc/95/97/12/1319959712.db2.gz PQSJBIOTRSRWCS-QUCCMNQESA-N 2 0 341.499 3.097 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823736682 1320202181 /nfs/dbraw/zinc/20/21/81/1320202181.db2.gz KNUWEOBXLDWEQH-IRXDYDNUSA-N 2 0 341.540 3.105 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823736681 1320202323 /nfs/dbraw/zinc/20/23/23/1320202323.db2.gz KNUWEOBXLDWEQH-IAGOWNOFSA-N 2 0 341.540 3.105 20 0 EGADRP C[C@H]1C[C@@H](NCc2cc(C3CC3)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000823966680 1320219026 /nfs/dbraw/zinc/21/90/26/1320219026.db2.gz ZOUPRWKTIQBTSM-LPHOPBHVSA-N 2 0 338.499 3.440 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000827459844 1320455315 /nfs/dbraw/zinc/45/53/15/1320455315.db2.gz PMSHRNLUBRGHPE-KRWDZBQOSA-N 2 0 345.487 3.012 20 0 EGADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000837458220 1320621633 /nfs/dbraw/zinc/62/16/33/1320621633.db2.gz FCZJBRQNFWDZEQ-UHFFFAOYSA-N 2 0 347.547 3.164 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)ccc1OC ZINC000840890037 1321171466 /nfs/dbraw/zinc/17/14/66/1321171466.db2.gz KZNZJBBINJKPRD-CVEARBPZSA-N 2 0 349.519 3.101 20 0 EGADRP Fc1ccccc1COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000841033423 1321204017 /nfs/dbraw/zinc/20/40/17/1321204017.db2.gz UKMOQGYNPIDHDO-KRWDZBQOSA-N 2 0 328.431 3.494 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000841085163 1321215842 /nfs/dbraw/zinc/21/58/42/1321215842.db2.gz VVWKMBQBJMVJNP-PKOBYXMFSA-N 2 0 339.483 3.494 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000841085160 1321216332 /nfs/dbraw/zinc/21/63/32/1321216332.db2.gz VVWKMBQBJMVJNP-HKUYNNGSSA-N 2 0 339.483 3.494 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000841088922 1321216740 /nfs/dbraw/zinc/21/67/40/1321216740.db2.gz GCXWAXFEMNRQLJ-KFWWJZLASA-N 2 0 344.446 3.008 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)oc21 ZINC000841104869 1321218879 /nfs/dbraw/zinc/21/88/79/1321218879.db2.gz VTSGAHGTUFSJBZ-LPHOPBHVSA-N 2 0 344.455 3.160 20 0 EGADRP CC(=O)Oc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859212639 1328946880 /nfs/dbraw/zinc/94/68/80/1328946880.db2.gz QPXKSNCXLBILOB-UHFFFAOYSA-N 2 0 326.440 3.306 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC(=O)Nc2cccc(F)c2)cc1 ZINC000859214919 1328947937 /nfs/dbraw/zinc/94/79/37/1328947937.db2.gz RCZUMKGJQXEPMU-UHFFFAOYSA-N 2 0 343.446 3.348 20 0 EGADRP CC(C)[C@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[C@H](C)[NH3+] ZINC000841826292 1321319666 /nfs/dbraw/zinc/31/96/66/1321319666.db2.gz GSEKWGQMMHZIGT-YOEHRIQHSA-N 2 0 328.460 3.419 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000843104588 1321470400 /nfs/dbraw/zinc/47/04/00/1321470400.db2.gz MJYQQBJXNHURPZ-UHFFFAOYSA-N 2 0 349.219 3.410 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CCC([NH3+])CC1 ZINC000843353519 1321504427 /nfs/dbraw/zinc/50/44/27/1321504427.db2.gz AUBOPSPWIOYGTD-UHFFFAOYSA-N 2 0 327.831 3.009 20 0 EGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355025 1321505394 /nfs/dbraw/zinc/50/53/94/1321505394.db2.gz JHYAMKLAQSXOBW-OOHWJJMZSA-N 2 0 343.471 3.154 20 0 EGADRP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000843358324 1321506207 /nfs/dbraw/zinc/50/62/07/1321506207.db2.gz KPFJOMOJAYCHCG-LJQANCHMSA-N 2 0 336.907 3.475 20 0 EGADRP CCc1ccc2c(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000843385527 1321509338 /nfs/dbraw/zinc/50/93/38/1321509338.db2.gz NVPMNZPFFRVCKC-QGZVFWFLSA-N 2 0 340.467 3.177 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000846218385 1321777525 /nfs/dbraw/zinc/77/75/25/1321777525.db2.gz MTZFSDZLDIARBF-MRXNPFEDSA-N 2 0 341.293 3.342 20 0 EGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808808 1321810603 /nfs/dbraw/zinc/81/06/03/1321810603.db2.gz JPYCZVRCMZURAG-INIZCTEOSA-N 2 0 337.305 3.368 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)c1 ZINC000848620228 1321981342 /nfs/dbraw/zinc/98/13/42/1321981342.db2.gz AFZDTKFXYVQHIT-FXAWDEMLSA-N 2 0 338.455 3.190 20 0 EGADRP CC[NH+]1CCC(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000849065680 1322063944 /nfs/dbraw/zinc/06/39/44/1322063944.db2.gz SETBUONIUJPENG-UHFFFAOYSA-N 2 0 344.381 3.253 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])N3CCCCC3)c2)CC1 ZINC000849065506 1322064233 /nfs/dbraw/zinc/06/42/33/1322064233.db2.gz KJIWTCJDMVNOOC-UHFFFAOYSA-N 2 0 328.504 3.429 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000849064577 1322064564 /nfs/dbraw/zinc/06/45/64/1322064564.db2.gz NXEMWENGTBYFMC-CALCHBBNSA-N 2 0 330.520 3.365 20 0 EGADRP C[NH+]1CCC(C)(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000849082556 1322071222 /nfs/dbraw/zinc/07/12/22/1322071222.db2.gz FVYBBNDKVYLJTI-UHFFFAOYSA-N 2 0 344.381 3.253 20 0 EGADRP CC[N@H+](CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C(C)C ZINC000849084146 1322072421 /nfs/dbraw/zinc/07/24/21/1322072421.db2.gz ZFJOQWNYWMSXLW-UHFFFAOYSA-N 2 0 332.370 3.252 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1C ZINC000849087722 1322073076 /nfs/dbraw/zinc/07/30/76/1322073076.db2.gz KYNFGLIEYVNECF-HNNXBMFYSA-N 2 0 342.409 3.112 20 0 EGADRP C[C@H]1CC[C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849093996 1322076406 /nfs/dbraw/zinc/07/64/06/1322076406.db2.gz SIKPDBJBKUMMRC-FUHWJXTLSA-N 2 0 328.504 3.201 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000920759292 1322219183 /nfs/dbraw/zinc/21/91/83/1322219183.db2.gz YRAKBKIQLFSFSN-FQEVSTJZSA-N 2 0 343.515 3.206 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000920759293 1322219631 /nfs/dbraw/zinc/21/96/31/1322219631.db2.gz YRAKBKIQLFSFSN-HXUWFJFHSA-N 2 0 343.515 3.206 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000850424636 1322245061 /nfs/dbraw/zinc/24/50/61/1322245061.db2.gz LLOVVMDFTYRJFH-WWDZGPRUSA-N 2 0 339.524 3.145 20 0 EGADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000850541370 1322263078 /nfs/dbraw/zinc/26/30/78/1322263078.db2.gz VTRKLLUTCKYZBV-FXAWDEMLSA-N 2 0 330.520 3.128 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[C@@]4(C[N@@H+](C)[C@H]4C(C)C)C[C@H]3O)cc21 ZINC000922390786 1322516813 /nfs/dbraw/zinc/51/68/13/1322516813.db2.gz OVWWJHKLUCFLHZ-CGXNFDGLSA-N 2 0 341.499 3.046 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CCN1Cc1ccccc1 ZINC000922868416 1322636056 /nfs/dbraw/zinc/63/60/56/1322636056.db2.gz AAERICKBTNTRCE-RUGGUXRKSA-N 2 0 344.499 3.312 20 0 EGADRP Fc1cc(F)cc([C@H]2COCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923389316 1322744123 /nfs/dbraw/zinc/74/41/23/1322744123.db2.gz OAZFRTWLVLGKAJ-BPMXQQMMSA-N 2 0 336.426 3.259 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000923489609 1322760356 /nfs/dbraw/zinc/76/03/56/1322760356.db2.gz PWHQGLGHLCDILH-QGZVFWFLSA-N 2 0 329.488 3.023 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cnnn1-c1ccccc1 ZINC000924524383 1323043084 /nfs/dbraw/zinc/04/30/84/1323043084.db2.gz AJAHFRVSROHSAD-IRXDYDNUSA-N 2 0 329.492 3.428 20 0 EGADRP C[C@H]([NH2+]CCCN1CCCCCC1=O)c1cccc(C[NH+](C)C)c1 ZINC000924555002 1323054026 /nfs/dbraw/zinc/05/40/26/1323054026.db2.gz UKZHBPFRCJFOTG-KRWDZBQOSA-N 2 0 331.504 3.192 20 0 EGADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccc(OC)cc1 ZINC000924566725 1323056514 /nfs/dbraw/zinc/05/65/14/1323056514.db2.gz GSSWQKMWFVAKDJ-AQDPXUSMSA-N 2 0 332.488 3.378 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024018686 1323080752 /nfs/dbraw/zinc/08/07/52/1323080752.db2.gz RMOHSYSHVNOHAY-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924630733 1323084607 /nfs/dbraw/zinc/08/46/07/1323084607.db2.gz AMCLUZWSLHGMIT-OAHLLOKOSA-N 2 0 329.488 3.418 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924661576 1323099694 /nfs/dbraw/zinc/09/96/94/1323099694.db2.gz NREGTVSRBIQHSZ-QGZVFWFLSA-N 2 0 342.487 3.020 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2c(C)oc3ccccc32)CC1 ZINC000924673087 1323106356 /nfs/dbraw/zinc/10/63/56/1323106356.db2.gz VFVDERFOHCROPH-CVEARBPZSA-N 2 0 329.488 3.418 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684136 1323111127 /nfs/dbraw/zinc/11/11/27/1323111127.db2.gz BYDRTPTXXSUCLI-ROUUACIJSA-N 2 0 341.503 3.430 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684134 1323111288 /nfs/dbraw/zinc/11/12/88/1323111288.db2.gz BYDRTPTXXSUCLI-QZTJIDSGSA-N 2 0 341.503 3.430 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2ccccc2[nH]1 ZINC000924690576 1323114116 /nfs/dbraw/zinc/11/41/16/1323114116.db2.gz QSMQFWDCLQADNW-MRXNPFEDSA-N 2 0 349.482 3.166 20 0 EGADRP c1ccc(CON2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000924717048 1323131204 /nfs/dbraw/zinc/13/12/04/1323131204.db2.gz SPJUYEOYHUCMDJ-UHFFFAOYSA-N 2 0 343.515 3.047 20 0 EGADRP Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852744919 1323234490 /nfs/dbraw/zinc/23/44/90/1323234490.db2.gz LANMYHYYVGISHU-QGZVFWFLSA-N 2 0 344.890 3.365 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cnn(C)n1 ZINC000924993068 1323237359 /nfs/dbraw/zinc/23/73/59/1323237359.db2.gz NWNWVULACJDVMS-CQSZACIVSA-N 2 0 347.894 3.031 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc(C[NH+](C)C)c1 ZINC000925091746 1323276179 /nfs/dbraw/zinc/27/61/79/1323276179.db2.gz CKQGVLQORDUKQS-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925093825 1323278265 /nfs/dbraw/zinc/27/82/65/1323278265.db2.gz MAEYASJNBJVYHA-DLBZAZTESA-N 2 0 346.515 3.066 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC(C)(C)CC1 ZINC001024366391 1323340347 /nfs/dbraw/zinc/34/03/47/1323340347.db2.gz RCRGZOICLODPQA-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024514134 1323463516 /nfs/dbraw/zinc/46/35/16/1323463516.db2.gz VZDHYAXRVKKPQV-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692583 1323609477 /nfs/dbraw/zinc/60/94/77/1323609477.db2.gz PDIPITZFBGLUAJ-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711278 1323618622 /nfs/dbraw/zinc/61/86/22/1323618622.db2.gz IPNVLHURFZIHPW-MOPGFXCFSA-N 2 0 349.494 3.081 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCCCC2)C1 ZINC001024803285 1323705617 /nfs/dbraw/zinc/70/56/17/1323705617.db2.gz GQZAPERIPOKGFC-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCC[N@H+]2C)cs1 ZINC001025003662 1323821730 /nfs/dbraw/zinc/82/17/30/1323821730.db2.gz XCIWOJQOBKTTCK-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001025056622 1323860451 /nfs/dbraw/zinc/86/04/51/1323860451.db2.gz QFINVLWBQWJFDT-MOPGFXCFSA-N 2 0 335.536 3.163 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025137197 1323913842 /nfs/dbraw/zinc/91/38/42/1323913842.db2.gz VXVRTFSLPNRFAC-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001025150348 1323923830 /nfs/dbraw/zinc/92/38/30/1323923830.db2.gz QLSCCOHQCYNETM-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP CC1(C)CCC(C[NH2+]C[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001025160203 1323930599 /nfs/dbraw/zinc/93/05/99/1323930599.db2.gz AYXAKEYEVMSUMX-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CCC1CC1)C1CCC1 ZINC001025240336 1324033613 /nfs/dbraw/zinc/03/36/13/1324033613.db2.gz NMSRAECHGVPIIT-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001025431951 1324268053 /nfs/dbraw/zinc/26/80/53/1324268053.db2.gz DYAPUTUEUKRFME-ZBFHGGJFSA-N 2 0 349.544 3.050 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431602 1324268868 /nfs/dbraw/zinc/26/88/68/1324268868.db2.gz BKXUOMHSVUWKOZ-CABCVRRESA-N 2 0 337.533 3.048 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001025527574 1324372363 /nfs/dbraw/zinc/37/23/63/1324372363.db2.gz YJRSMBDWEKRHRR-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026465268 1324825266 /nfs/dbraw/zinc/82/52/66/1324825266.db2.gz NVFXNDZRDIJRDW-CTWPCTMYSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCCC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001026522466 1324865559 /nfs/dbraw/zinc/86/55/59/1324865559.db2.gz KATNHPFIHAOANO-UHFFFAOYSA-N 2 0 340.471 3.155 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC001026560820 1324896555 /nfs/dbraw/zinc/89/65/55/1324896555.db2.gz FZGIXSPLQXVLKF-QHGAOEGBSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026572040 1324904752 /nfs/dbraw/zinc/90/47/52/1324904752.db2.gz ZNXGINGKMSHYJS-CTWPCTMYSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH2+]CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001026571989 1324904874 /nfs/dbraw/zinc/90/48/74/1324904874.db2.gz XBFRUJWLPFVZEE-IPJUCJBFSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133649 1325059285 /nfs/dbraw/zinc/05/92/85/1325059285.db2.gz QAYVFMQVURWPFP-JTSKRJEESA-N 2 0 349.478 3.456 20 0 EGADRP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133645 1325059428 /nfs/dbraw/zinc/05/94/28/1325059428.db2.gz QAYVFMQVURWPFP-HTAPYJJXSA-N 2 0 349.478 3.456 20 0 EGADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925227525 1325088140 /nfs/dbraw/zinc/08/81/40/1325088140.db2.gz USZDKZPSJSLGKT-OOULBGLYSA-N 2 0 336.545 3.479 20 0 EGADRP C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(C[NH+](C)C)c1 ZINC000925281810 1325113217 /nfs/dbraw/zinc/11/32/17/1325113217.db2.gz BNAIYLFRCIQHKG-CYBMUJFWSA-N 2 0 340.393 3.358 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925441053 1325151483 /nfs/dbraw/zinc/15/14/83/1325151483.db2.gz XJWDHAZSEARPSY-GUDVDZBRSA-N 3 0 347.547 3.288 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360723 1325157887 /nfs/dbraw/zinc/15/78/87/1325157887.db2.gz OJELIGNURYNHKK-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000925484000 1325171317 /nfs/dbraw/zinc/17/13/17/1325171317.db2.gz BIWPSFIVZHRRIY-IBGZPJMESA-N 2 0 335.455 3.146 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000925513400 1325185897 /nfs/dbraw/zinc/18/58/97/1325185897.db2.gz JGRAOLRHPHRQIH-HXUWFJFHSA-N 2 0 337.467 3.383 20 0 EGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925528486 1325192178 /nfs/dbraw/zinc/19/21/78/1325192178.db2.gz VBTGUKSLZHBCEV-BOHRTUCQSA-N 2 0 326.484 3.049 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925555008 1325205928 /nfs/dbraw/zinc/20/59/28/1325205928.db2.gz CPJMIYAATRRFAD-YJBOKZPZSA-N 2 0 333.907 3.349 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925565214 1325211698 /nfs/dbraw/zinc/21/16/98/1325211698.db2.gz YKLRJCZIJITNET-VQIMIIECSA-N 2 0 332.488 3.127 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccccc1 ZINC000925599689 1325228283 /nfs/dbraw/zinc/22/82/83/1325228283.db2.gz SQTSVAWLCOXJLT-GOSISDBHSA-N 2 0 345.874 3.140 20 0 EGADRP CC[C@H]([NH2+]CC1([NH3+])CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000854224064 1325231173 /nfs/dbraw/zinc/23/11/73/1325231173.db2.gz VGOXDCQBYJJGLQ-LSDHHAIUSA-N 2 0 325.497 3.026 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1 ZINC000925627565 1325237410 /nfs/dbraw/zinc/23/74/10/1325237410.db2.gz VXLBFUTYCJVJIY-INIZCTEOSA-N 2 0 335.398 3.295 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001027139801 1325249395 /nfs/dbraw/zinc/24/93/95/1325249395.db2.gz RTERTGWKSJNFRB-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001027151316 1325255589 /nfs/dbraw/zinc/25/55/89/1325255589.db2.gz VYBVHEMBDQJGOL-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000925806076 1325308961 /nfs/dbraw/zinc/30/89/61/1325308961.db2.gz XSSZHGGVUWZCDS-JSGCOSHPSA-N 2 0 332.414 3.111 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1 ZINC000925830226 1325319518 /nfs/dbraw/zinc/31/95/18/1325319518.db2.gz COYKOCDVXHMMIP-CVEARBPZSA-N 2 0 329.410 3.083 20 0 EGADRP C[C@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000925843798 1325325083 /nfs/dbraw/zinc/32/50/83/1325325083.db2.gz PGIPLHSJWPYFLY-MJUUVYJYSA-N 2 0 327.516 3.161 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1)[NH+]1CCCCC1 ZINC000926141156 1325444992 /nfs/dbraw/zinc/44/49/92/1325444992.db2.gz GUWLSYRRLCPGDO-IRXDYDNUSA-N 2 0 327.476 3.182 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC)CC1 ZINC000964151806 1325482904 /nfs/dbraw/zinc/48/29/04/1325482904.db2.gz DVTATPPSNSKEPH-ACBHZAAOSA-N 2 0 337.552 3.410 20 0 EGADRP Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926258655 1325494157 /nfs/dbraw/zinc/49/41/57/1325494157.db2.gz RFSAUJXHGNCCTL-UTKZUKDTSA-N 2 0 326.484 3.311 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000964436976 1325525137 /nfs/dbraw/zinc/52/51/37/1325525137.db2.gz ISQFJRQBWLVMFV-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926377913 1325533652 /nfs/dbraw/zinc/53/36/52/1325533652.db2.gz MHDJHRYDBWNZIY-RTWAWAEBSA-N 2 0 346.515 3.310 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000856930482 1325542305 /nfs/dbraw/zinc/54/23/05/1325542305.db2.gz WNIIOAGNOVQGCS-XLIONFOSSA-N 2 0 343.515 3.100 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1nc(Br)ccc1F ZINC000926572671 1327619719 /nfs/dbraw/zinc/61/97/19/1327619719.db2.gz GSRNJAZAWYPHCY-VXGBXAGGSA-N 2 0 344.272 3.366 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1nc(Br)ccc1F ZINC000926572669 1327620322 /nfs/dbraw/zinc/62/03/22/1327620322.db2.gz GSRNJAZAWYPHCY-NWDGAFQWSA-N 2 0 344.272 3.366 20 0 EGADRP Cc1cccc2nc(CC[NH2+]C3CC[NH+](CCC(C)C)CC3)cn21 ZINC000926642867 1327649146 /nfs/dbraw/zinc/64/91/46/1327649146.db2.gz PCWFQVDXUZHARJ-UHFFFAOYSA-N 2 0 328.504 3.285 20 0 EGADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926693403 1327670160 /nfs/dbraw/zinc/67/01/60/1327670160.db2.gz NWRVGCWBGUEVCH-SFHVURJKSA-N 2 0 340.471 3.257 20 0 EGADRP COc1ccnc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000926693268 1327670936 /nfs/dbraw/zinc/67/09/36/1327670936.db2.gz LJEDJUHGXHLWIT-INIZCTEOSA-N 2 0 340.471 3.048 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000927036653 1327826993 /nfs/dbraw/zinc/82/69/93/1327826993.db2.gz FFPKWXSIPPPUNV-UHFFFAOYSA-N 2 0 342.531 3.043 20 0 EGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(-n2cnnc2)c1 ZINC000927039821 1327828163 /nfs/dbraw/zinc/82/81/63/1327828163.db2.gz WFBANZDGMNZHOM-VQSBYGRUSA-N 2 0 339.487 3.325 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027542383 1327843971 /nfs/dbraw/zinc/84/39/71/1327843971.db2.gz KWZAHCDFSUGXGY-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542071 1327844816 /nfs/dbraw/zinc/84/48/16/1327844816.db2.gz HPPLREADBGSORO-RBUKOAKNSA-N 2 0 335.536 3.115 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001027547452 1327851193 /nfs/dbraw/zinc/85/11/93/1327851193.db2.gz SFTJNZUZUYDAST-YTQUADARSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000927091434 1327857112 /nfs/dbraw/zinc/85/71/12/1327857112.db2.gz OVMFHQSPZFFVPF-INIZCTEOSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000927089899 1327857374 /nfs/dbraw/zinc/85/73/74/1327857374.db2.gz GWXQQEYQQSOUPB-MRXNPFEDSA-N 2 0 340.467 3.413 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2c3ccccc3CC[C@H]2O)CC1 ZINC000927139466 1327886524 /nfs/dbraw/zinc/88/65/24/1327886524.db2.gz LILWIXYVCFZXCC-FPGXKEGCSA-N 2 0 328.500 3.422 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001027579025 1327912530 /nfs/dbraw/zinc/91/25/30/1327912530.db2.gz AFEVXGRZTDTOQY-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001027578532 1327915094 /nfs/dbraw/zinc/91/50/94/1327915094.db2.gz MZQFTZHLEAOWCV-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CCC3CC3)C2)cc1 ZINC001027615300 1327978686 /nfs/dbraw/zinc/97/86/86/1327978686.db2.gz SBLRJIPLJNRKND-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC(C)C)C1 ZINC001027646151 1328021975 /nfs/dbraw/zinc/02/19/75/1328021975.db2.gz CSWAUWCQRLCHFB-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027693497 1328098614 /nfs/dbraw/zinc/09/86/14/1328098614.db2.gz CMPLFWCLUSQNRC-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027879200 1328343956 /nfs/dbraw/zinc/34/39/56/1328343956.db2.gz PAJBKDISWUMJFL-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885216 1328351794 /nfs/dbraw/zinc/35/17/94/1328351794.db2.gz BNMDCHOKDBSDDD-AZUAARDMSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885486 1328354167 /nfs/dbraw/zinc/35/41/67/1328354167.db2.gz FKZJQJIEAHRHAU-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027919605 1328396144 /nfs/dbraw/zinc/39/61/44/1328396144.db2.gz YOLIMBFFBOWCTF-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027918446 1328397354 /nfs/dbraw/zinc/39/73/54/1328397354.db2.gz NPNUVZMAANHHRT-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001027924468 1328403123 /nfs/dbraw/zinc/40/31/23/1328403123.db2.gz JRNFMWZGTUWYGG-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001027991595 1328459119 /nfs/dbraw/zinc/45/91/19/1328459119.db2.gz HBQWLASUHVTYRA-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP Cn1c(Cl)cnc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717952 1329732144 /nfs/dbraw/zinc/73/21/44/1329732144.db2.gz PTDBMIPUPGHQOK-UHFFFAOYSA-N 2 0 346.906 3.465 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1cccs1 ZINC000933458280 1329890956 /nfs/dbraw/zinc/89/09/56/1329890956.db2.gz ZLOJDMPLKWFUTK-PBHICJAKSA-N 2 0 337.533 3.025 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000934947114 1330019442 /nfs/dbraw/zinc/01/94/42/1330019442.db2.gz GBEFJQFETHHFFQ-IBGZPJMESA-N 2 0 329.488 3.402 20 0 EGADRP Cc1cccc(C[C@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000866250596 1330085455 /nfs/dbraw/zinc/08/54/55/1330085455.db2.gz FWGMGTVCDWJJQC-SFHVURJKSA-N 2 0 329.532 3.074 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000866413409 1330108715 /nfs/dbraw/zinc/10/87/15/1330108715.db2.gz QXAFUTAGILCCTP-HOJAQTOUSA-N 2 0 328.500 3.303 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866466979 1330116022 /nfs/dbraw/zinc/11/60/22/1330116022.db2.gz QGYFMUKGXBLUBK-VQHPVUNQSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000866469785 1330116286 /nfs/dbraw/zinc/11/62/86/1330116286.db2.gz LDXCHKUCQLPVDB-QGZVFWFLSA-N 2 0 326.488 3.373 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000868163939 1330257380 /nfs/dbraw/zinc/25/73/80/1330257380.db2.gz PGFBXXCJIINFJM-UHFFFAOYSA-N 2 0 344.503 3.136 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000939808601 1330992202 /nfs/dbraw/zinc/99/22/02/1330992202.db2.gz FUNINLOJJHZMMU-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940854173 1331222169 /nfs/dbraw/zinc/22/21/69/1331222169.db2.gz YHOBOXHNRVXPMC-SFHVURJKSA-N 2 0 342.487 3.273 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)CC2(C)C)CC1 ZINC000941001840 1331290638 /nfs/dbraw/zinc/29/06/38/1331290638.db2.gz AJQBJQHHIOFOMG-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530485 1331959011 /nfs/dbraw/zinc/95/90/11/1331959011.db2.gz SLCSHNJFVRHUEA-XLIONFOSSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581350 1331987998 /nfs/dbraw/zinc/98/79/98/1331987998.db2.gz FNLKKLLRGLVSAC-NVXWUHKLSA-N 2 0 349.519 3.218 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596789 1331995808 /nfs/dbraw/zinc/99/58/08/1331995808.db2.gz GFDYNXIEXYFIHA-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821121 1332042326 /nfs/dbraw/zinc/04/23/26/1332042326.db2.gz BSXIIMKUCUXFOA-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586277 1332858206 /nfs/dbraw/zinc/85/82/06/1332858206.db2.gz ASKOUKNPLOIFBD-HAGHYFMRSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657396 1332871971 /nfs/dbraw/zinc/87/19/71/1332871971.db2.gz JDMMUHILWOPSIC-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361224 1333103000 /nfs/dbraw/zinc/10/30/00/1333103000.db2.gz MRWFNOKKEJETHW-GDBMZVCRSA-N 2 0 337.533 3.048 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000947614861 1333193312 /nfs/dbraw/zinc/19/33/12/1333193312.db2.gz AZEWFQVELMHATN-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC000947617394 1333193638 /nfs/dbraw/zinc/19/36/38/1333193638.db2.gz YBCMDNJKBBTAFB-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000947775572 1333257508 /nfs/dbraw/zinc/25/75/08/1333257508.db2.gz PFJGMIUGZBCYRT-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)[C@H](C)C2)CC1 ZINC000947851867 1333280003 /nfs/dbraw/zinc/28/00/03/1333280003.db2.gz BIPLKEOALWLFSY-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCCC1CCCC1 ZINC000948040643 1333350059 /nfs/dbraw/zinc/35/00/59/1333350059.db2.gz REBYIOSNDNDIKZ-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000948246640 1333440049 /nfs/dbraw/zinc/44/00/49/1333440049.db2.gz ZGRZIKIISJGYHJ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473560 1333539505 /nfs/dbraw/zinc/53/95/05/1333539505.db2.gz HZWXJITWZRRNJQ-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621472 1333600381 /nfs/dbraw/zinc/60/03/81/1333600381.db2.gz QOLXMJMISZRTFN-IRXDYDNUSA-N 2 0 346.450 3.009 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726378 1333648583 /nfs/dbraw/zinc/64/85/83/1333648583.db2.gz PIFVQGXNTBGMRB-SFHVURJKSA-N 2 0 349.519 3.314 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948770678 1333671052 /nfs/dbraw/zinc/67/10/52/1333671052.db2.gz KEUKYQLENLQTHE-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948775482 1333674177 /nfs/dbraw/zinc/67/41/77/1333674177.db2.gz JOFPUYMYSFJXQU-PKOBYXMFSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@H](N(C)C(=O)Cc3cnc[nH]3)CC2)CC1 ZINC000948812000 1333692705 /nfs/dbraw/zinc/69/27/05/1333692705.db2.gz DAJGVSCHVDTQQE-TVPLGVNVSA-N 2 0 346.519 3.091 20 0 EGADRP CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000948936365 1333740487 /nfs/dbraw/zinc/74/04/87/1333740487.db2.gz ORSKCGOVBLIHII-HXUWFJFHSA-N 2 0 348.450 3.074 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC000949800882 1333926652 /nfs/dbraw/zinc/92/66/52/1333926652.db2.gz MDAKCXBDMISXIY-SOAGJPPSSA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CCC2=CCCCC2)C1 ZINC000951380560 1334234844 /nfs/dbraw/zinc/23/48/44/1334234844.db2.gz VLPUPVHWBUKBLP-HKUYNNGSSA-N 2 0 347.547 3.140 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000951616430 1334279745 /nfs/dbraw/zinc/27/97/45/1334279745.db2.gz JMYVMFZWABIUOY-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951628646 1334281498 /nfs/dbraw/zinc/28/14/98/1334281498.db2.gz YEPKHJKMVGBLPP-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H]1CC[N@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647287 1335995941 /nfs/dbraw/zinc/99/59/41/1335995941.db2.gz JYGKEJIWKDRQBA-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC000968863935 1336072249 /nfs/dbraw/zinc/07/22/49/1336072249.db2.gz NFANHZKEEDUDDP-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC=C(C)C ZINC000968882189 1336078199 /nfs/dbraw/zinc/07/81/99/1336078199.db2.gz JFJWPGRVNCHEPT-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968882513 1336078743 /nfs/dbraw/zinc/07/87/43/1336078743.db2.gz PFZHEXYQXCTQSV-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968888271 1336080715 /nfs/dbraw/zinc/08/07/15/1336080715.db2.gz SBENWQCHUUHAKA-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968915952 1336087486 /nfs/dbraw/zinc/08/74/86/1336087486.db2.gz UFBHPSRCRCJFHX-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968920240 1336089320 /nfs/dbraw/zinc/08/93/20/1336089320.db2.gz RWPXELZFEXCKCJ-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC000968921755 1336089675 /nfs/dbraw/zinc/08/96/75/1336089675.db2.gz IJEPYLOPICLKAG-RHSMWYFYSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968928513 1336092769 /nfs/dbraw/zinc/09/27/69/1336092769.db2.gz MWUKCUMPGJFCKK-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2=CCCCC2)CC1 ZINC000969013674 1336118417 /nfs/dbraw/zinc/11/84/17/1336118417.db2.gz CUETYEANWUSJRX-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP O=C(NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1)C12CC[NH+](CC1)C2 ZINC000969118320 1336150283 /nfs/dbraw/zinc/15/02/83/1336150283.db2.gz LNFCVJAZPRJRIT-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCCC2CCCC2)C1 ZINC000969144827 1336161297 /nfs/dbraw/zinc/16/12/97/1336161297.db2.gz UUQUSHZRFQTVDF-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969156302 1336166133 /nfs/dbraw/zinc/16/61/33/1336166133.db2.gz PAQVLHBBLLZANW-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC000969563716 1336224057 /nfs/dbraw/zinc/22/40/57/1336224057.db2.gz IVCLMXKWRHBLRP-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000969594980 1336226479 /nfs/dbraw/zinc/22/64/79/1336226479.db2.gz DIZLJVHHZITYGK-FGTMMUONSA-N 2 0 349.906 3.076 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC000969954507 1336265212 /nfs/dbraw/zinc/26/52/12/1336265212.db2.gz FLRKRZUJKJPGGP-MOPGFXCFSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000970029156 1336272865 /nfs/dbraw/zinc/27/28/65/1336272865.db2.gz XUNILWIIEYUSNC-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000970792221 1336338028 /nfs/dbraw/zinc/33/80/28/1336338028.db2.gz GSVAGFYBNBILPG-UXHICEINSA-N 2 0 343.515 3.204 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001005504533 1336363498 /nfs/dbraw/zinc/36/34/98/1336363498.db2.gz UOFMVQLJUGIHBW-FQEVSTJZSA-N 2 0 347.547 3.116 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001006185473 1336464006 /nfs/dbraw/zinc/46/40/06/1336464006.db2.gz XKMFQVKUOOCLEN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)C(C)(C)c1cnc[nH]1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006291654 1336484165 /nfs/dbraw/zinc/48/41/65/1336484165.db2.gz GUGWORDKBKZFQY-UHFFFAOYSA-N 2 0 344.503 3.111 20 0 EGADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006294650 1336485326 /nfs/dbraw/zinc/48/53/26/1336485326.db2.gz NZCCRVCDABBYSD-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007501308 1336658675 /nfs/dbraw/zinc/65/86/75/1336658675.db2.gz XKARZDPLYRQTCD-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001205902281 1370905099 /nfs/dbraw/zinc/90/50/99/1370905099.db2.gz JMSILPDTILNFLZ-WCQYABFASA-N 2 0 336.277 3.490 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001008164964 1336782885 /nfs/dbraw/zinc/78/28/85/1336782885.db2.gz VGQACYSLIHCCKU-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008274816 1336811695 /nfs/dbraw/zinc/81/16/95/1336811695.db2.gz GMMFSUBYBJIMJW-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001008282680 1336814118 /nfs/dbraw/zinc/81/41/18/1336814118.db2.gz YRVJFBPSQAUNKC-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001008529236 1336876635 /nfs/dbraw/zinc/87/66/35/1336876635.db2.gz DVBZTZQOHUVQMP-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001008762657 1336922334 /nfs/dbraw/zinc/92/23/34/1336922334.db2.gz VSZPZZMWDWRAQB-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008978131 1336951527 /nfs/dbraw/zinc/95/15/27/1336951527.db2.gz DNEYEUZJTBCLFE-AZUAARDMSA-N 2 0 343.515 3.060 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009143472 1336975797 /nfs/dbraw/zinc/97/57/97/1336975797.db2.gz HMTIIFOHYNWGER-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001009164954 1336979959 /nfs/dbraw/zinc/97/99/59/1336979959.db2.gz BHASCLSPEJPMBM-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001009633949 1337050712 /nfs/dbraw/zinc/05/07/12/1337050712.db2.gz HJRWBTUDLRDNMW-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)C2)o1 ZINC001009682419 1337059424 /nfs/dbraw/zinc/05/94/24/1337059424.db2.gz NQQLUQMMEGUKLX-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014399112 1337766843 /nfs/dbraw/zinc/76/68/43/1337766843.db2.gz BQTXJYHUJWSTGF-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001014429474 1337775650 /nfs/dbraw/zinc/77/56/50/1337775650.db2.gz YOUYZGPWIUUNTH-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014631958 1337853905 /nfs/dbraw/zinc/85/39/05/1337853905.db2.gz PTLKFYWKLGMCQR-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015114471 1338023446 /nfs/dbraw/zinc/02/34/46/1338023446.db2.gz PKUCSQVFFYURGM-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015895721 1338351651 /nfs/dbraw/zinc/35/16/51/1338351651.db2.gz AFYAEWHFLABYJH-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015974029 1338387474 /nfs/dbraw/zinc/38/74/74/1338387474.db2.gz WTZVCOCBTDPZGD-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016610920 1338662911 /nfs/dbraw/zinc/66/29/11/1338662911.db2.gz AEIXYDLATSZLHZ-MSOLQXFVSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016651418 1338679188 /nfs/dbraw/zinc/67/91/88/1338679188.db2.gz HHWNPHCNNVZGPO-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016660786 1338682592 /nfs/dbraw/zinc/68/25/92/1338682592.db2.gz BHIORCLZNDRQNH-MOPGFXCFSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016762093 1338715845 /nfs/dbraw/zinc/71/58/45/1338715845.db2.gz UWQYKMLWUOXDSP-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788527 1338727604 /nfs/dbraw/zinc/72/76/04/1338727604.db2.gz ZPPTZAYYRVKTRU-RBUKOAKNSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001017208441 1338955195 /nfs/dbraw/zinc/95/51/95/1338955195.db2.gz HHJUHRPGZQPWMR-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(C)cc2)C1)[NH+](C)C ZINC001017211829 1338956681 /nfs/dbraw/zinc/95/66/81/1338956681.db2.gz LUBWFFNXDJPNDJ-UXHICEINSA-N 2 0 345.531 3.006 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017555646 1339366816 /nfs/dbraw/zinc/36/68/16/1339366816.db2.gz RVDPFQZAZCIQNU-HDICACEKSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018838268 1339736666 /nfs/dbraw/zinc/73/66/66/1339736666.db2.gz WXYXDVQGGRMNLR-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001018848644 1339737801 /nfs/dbraw/zinc/73/78/01/1339737801.db2.gz GOZCVMLLUPZOSG-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001028235100 1340497526 /nfs/dbraw/zinc/49/75/26/1340497526.db2.gz PYLNGNCOIQGWSO-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343014 1340582720 /nfs/dbraw/zinc/58/27/20/1340582720.db2.gz KBVBKXCTTVDEKV-SJORKVTESA-N 2 0 349.519 3.362 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692922 1340761473 /nfs/dbraw/zinc/76/14/73/1340761473.db2.gz DRCQSLJOTBEASQ-IAGOWNOFSA-N 2 0 348.450 3.147 20 0 EGADRP CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755056 1340791203 /nfs/dbraw/zinc/79/12/03/1340791203.db2.gz FPVAZMBMOWBLOG-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@H]1CC[N@H+](CC2CCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028756058 1340791503 /nfs/dbraw/zinc/79/15/03/1340791503.db2.gz ZTDYNBQMGVHABO-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028845811 1340857066 /nfs/dbraw/zinc/85/70/66/1340857066.db2.gz QONOVXWFIBZQHN-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001029113561 1340933325 /nfs/dbraw/zinc/93/33/25/1340933325.db2.gz LRNFZTHJSRVMGC-INIZCTEOSA-N 2 0 337.552 3.265 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001029146280 1340942743 /nfs/dbraw/zinc/94/27/43/1340942743.db2.gz IEMJBTCZZVDZJD-MSOLQXFVSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029163679 1340946128 /nfs/dbraw/zinc/94/61/28/1340946128.db2.gz AXQLGDRYNYGEIT-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029330814 1340972912 /nfs/dbraw/zinc/97/29/12/1340972912.db2.gz WHSOQNWAXWADBX-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001029347023 1340974904 /nfs/dbraw/zinc/97/49/04/1340974904.db2.gz JHRKNCLKBIBBNX-ZCNNSNEGSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001029767541 1341066582 /nfs/dbraw/zinc/06/65/82/1341066582.db2.gz UBWGUTKYOURJRL-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)CC1CCCCC1 ZINC001029861784 1341099019 /nfs/dbraw/zinc/09/90/19/1341099019.db2.gz RPYORVKYBZXRFQ-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029910625 1341113767 /nfs/dbraw/zinc/11/37/67/1341113767.db2.gz STHLVVAOQLRHSY-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001030019327 1341159703 /nfs/dbraw/zinc/15/97/03/1341159703.db2.gz RCAGFRCEUMNUHM-IHPCNDPISA-N 2 0 345.531 3.223 20 0 EGADRP O=C(NC1C[NH+](CC2CCCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001030833631 1341232638 /nfs/dbraw/zinc/23/26/38/1341232638.db2.gz ZMWREZTZCYXUEC-FQEVSTJZSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001031685653 1341387540 /nfs/dbraw/zinc/38/75/40/1341387540.db2.gz DSIHNUTUGXEUKX-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001032026719 1341441680 /nfs/dbraw/zinc/44/16/80/1341441680.db2.gz ISVYIHRTBARBNC-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001032026630 1341441771 /nfs/dbraw/zinc/44/17/71/1341441771.db2.gz HFTRFDFJTXHYQQ-AFMYVXGZSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033083065 1341719235 /nfs/dbraw/zinc/71/92/35/1341719235.db2.gz UGRRULSCBVLIKX-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033145571 1341738908 /nfs/dbraw/zinc/73/89/08/1341738908.db2.gz IGDWOVNOYNGRBH-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033146437 1341739502 /nfs/dbraw/zinc/73/95/02/1341739502.db2.gz PEUJONRPQOSHPU-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001033358280 1341795485 /nfs/dbraw/zinc/79/54/85/1341795485.db2.gz KHRTXYSYWHGKFO-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001033358971 1341796124 /nfs/dbraw/zinc/79/61/24/1341796124.db2.gz SHMBKGIMVUWZRS-IHPCNDPISA-N 2 0 347.547 3.140 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420449 1341821848 /nfs/dbraw/zinc/82/18/48/1341821848.db2.gz OZNHCHZEDBXAEG-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033472640 1341839913 /nfs/dbraw/zinc/83/99/13/1341839913.db2.gz ZLEACGGHOHRXBN-OALUTQOASA-N 2 0 349.563 3.218 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033508617 1341851727 /nfs/dbraw/zinc/85/17/27/1341851727.db2.gz MODCWHNZMMVZMI-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533254 1341861655 /nfs/dbraw/zinc/86/16/55/1341861655.db2.gz XQYKCADHIYUGFU-AZUAARDMSA-N 2 0 343.515 3.012 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033827030 1342028601 /nfs/dbraw/zinc/02/86/01/1342028601.db2.gz YSOZTXBGUAYJJN-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001034211896 1342320954 /nfs/dbraw/zinc/32/09/54/1342320954.db2.gz PQPGXDRAQFSFEY-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034240912 1342341654 /nfs/dbraw/zinc/34/16/54/1342341654.db2.gz ULWXZBFVHRWGKV-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034248435 1342345443 /nfs/dbraw/zinc/34/54/43/1342345443.db2.gz CEGZTSIGZXTYBL-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034250017 1342346564 /nfs/dbraw/zinc/34/65/64/1342346564.db2.gz NYIDZCRAPFCBRQ-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251236 1342347952 /nfs/dbraw/zinc/34/79/52/1342347952.db2.gz XJHAFDKDXHIKIJ-UYAOXDASSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034398178 1342465424 /nfs/dbraw/zinc/46/54/24/1342465424.db2.gz NIEROTITKKAXGA-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cs1 ZINC001034400911 1342466562 /nfs/dbraw/zinc/46/65/62/1342466562.db2.gz YOTULWQPJQMZHZ-YJBOKZPZSA-N 2 0 349.544 3.012 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(C)C)C1 ZINC001034479755 1342536816 /nfs/dbraw/zinc/53/68/16/1342536816.db2.gz BBJPMOXCWJYQAF-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529066 1342586085 /nfs/dbraw/zinc/58/60/85/1342586085.db2.gz WBKGANJODDWQLN-PMACEKPBSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034537390 1342593481 /nfs/dbraw/zinc/59/34/81/1342593481.db2.gz BCAPJPUYZXUKAS-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034537871 1342594578 /nfs/dbraw/zinc/59/45/78/1342594578.db2.gz GGDUBQGZAXDZMO-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034537977 1342594707 /nfs/dbraw/zinc/59/47/07/1342594707.db2.gz GUDLJPYKWPGARV-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@H+](C/C=C\Cl)C2)c1 ZINC001034538687 1342596485 /nfs/dbraw/zinc/59/64/85/1342596485.db2.gz VILYILSUWAJJOO-OEPRFQHASA-N 2 0 349.906 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034642453 1342667936 /nfs/dbraw/zinc/66/79/36/1342667936.db2.gz FCZUMOUNGJUAST-BZSNNMDCSA-N 2 0 349.544 3.138 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001034647577 1342669129 /nfs/dbraw/zinc/66/91/29/1342669129.db2.gz MLCNEMFRGYHRIG-DDARFZGZSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034683718 1342690844 /nfs/dbraw/zinc/69/08/44/1342690844.db2.gz YZCZIRCQMZMAMF-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP CC1(C)CC(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001034735855 1342729241 /nfs/dbraw/zinc/72/92/41/1342729241.db2.gz OAVCPLGYMHLGLX-IYARVYRRSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)CC1 ZINC001034748634 1342736834 /nfs/dbraw/zinc/73/68/34/1342736834.db2.gz ZJGZSTCWUKSTIV-MXVIHJGJSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034749262 1342737334 /nfs/dbraw/zinc/73/73/34/1342737334.db2.gz JQOGCEHJSPSHMP-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034750842 1342738072 /nfs/dbraw/zinc/73/80/72/1342738072.db2.gz ZNXGINGKMSHYJS-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034962466 1342855118 /nfs/dbraw/zinc/85/51/18/1342855118.db2.gz RRAIJWQEMDMOQG-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001035126611 1342944620 /nfs/dbraw/zinc/94/46/20/1342944620.db2.gz GIJSNEKBNVYMIZ-CRAIPNDOSA-N 2 0 349.906 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](C[C@H](C)CC)C2)CC1 ZINC001035189203 1343003450 /nfs/dbraw/zinc/00/34/50/1343003450.db2.gz XYCRBDGWXKTWJH-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233884 1343056123 /nfs/dbraw/zinc/05/61/23/1343056123.db2.gz NVLIRQOLOKXVKI-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833110 1343772660 /nfs/dbraw/zinc/77/26/60/1343772660.db2.gz OJIPRGONSFFMHB-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC(C)(C)C)C2)CC1 ZINC001036836871 1343775928 /nfs/dbraw/zinc/77/59/28/1343775928.db2.gz YVJAMSARZQXRCJ-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904287 1343851037 /nfs/dbraw/zinc/85/10/37/1343851037.db2.gz PFNIAPXFKWXJEZ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@H]21 ZINC001036905840 1343853349 /nfs/dbraw/zinc/85/33/49/1343853349.db2.gz PZXVHRIZOYYLJW-FUHWJXTLSA-N 2 0 347.503 3.068 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]C(C)C)o1 ZINC001037135408 1343984999 /nfs/dbraw/zinc/98/49/99/1343984999.db2.gz RHBWEJOOVBOXHA-NVXWUHKLSA-N 2 0 335.492 3.018 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001037201987 1344038223 /nfs/dbraw/zinc/03/82/23/1344038223.db2.gz DGJLAUAYQXSOKG-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1[NH2+]C(C)C ZINC001037871551 1344153211 /nfs/dbraw/zinc/15/32/11/1344153211.db2.gz CLNFVSLJKYTGPV-AEFFLSMTSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1[NH2+]CC(C)C ZINC001037982029 1344218970 /nfs/dbraw/zinc/21/89/70/1344218970.db2.gz INDCIRQUEUQBSW-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038406156 1344414515 /nfs/dbraw/zinc/41/45/15/1344414515.db2.gz ASWNNJILUAFMNI-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1CCCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038464102 1344435701 /nfs/dbraw/zinc/43/57/01/1344435701.db2.gz ZIKDRAACONDXLA-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521440 1344464413 /nfs/dbraw/zinc/46/44/13/1344464413.db2.gz XSLIBQADLLUYDT-UXHICEINSA-N 2 0 348.450 3.290 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038554930 1344481793 /nfs/dbraw/zinc/48/17/93/1344481793.db2.gz IPZLVTJIZHASPT-GOSISDBHSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038622689 1344509453 /nfs/dbraw/zinc/50/94/53/1344509453.db2.gz NUVGFNZQDUMBDF-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038780507 1344581620 /nfs/dbraw/zinc/58/16/20/1344581620.db2.gz LKQRMULBSFVBBD-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038782476 1344582060 /nfs/dbraw/zinc/58/20/60/1344582060.db2.gz UASUQPDSCXBDQM-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038909161 1344647444 /nfs/dbraw/zinc/64/74/44/1344647444.db2.gz OHJKWXSFSOEMTL-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137483 1344817194 /nfs/dbraw/zinc/81/71/94/1344817194.db2.gz HFZBQNHMFKSYCQ-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001039137903 1344818298 /nfs/dbraw/zinc/81/82/98/1344818298.db2.gz UEZMBKDEFNWRNL-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)C1 ZINC001039140408 1344819835 /nfs/dbraw/zinc/81/98/35/1344819835.db2.gz GJFBQNFUVIGFPZ-MRXNPFEDSA-N 2 0 349.544 3.004 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039140256 1344820585 /nfs/dbraw/zinc/82/05/85/1344820585.db2.gz RJTRPRWDGIHVQK-WOJBJXKFSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228895 1344948745 /nfs/dbraw/zinc/94/87/45/1344948745.db2.gz KZLMOYGUZWLRKX-APWZRJJASA-N 2 0 340.471 3.061 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235317 1344956351 /nfs/dbraw/zinc/95/63/51/1344956351.db2.gz WFTKGWOFKKDLSU-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039281543 1344995331 /nfs/dbraw/zinc/99/53/31/1344995331.db2.gz QFUCKLOVFDPLEP-AYHJJNSGSA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039398085 1345045731 /nfs/dbraw/zinc/04/57/31/1345045731.db2.gz KVAGKYIOXWYTCZ-HSALFYBXSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)C)C3)CC[N@@H+]1C ZINC001040208665 1345375962 /nfs/dbraw/zinc/37/59/62/1345375962.db2.gz AQSVVWIBZAQEHC-ZVDOUQERSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2)[NH+](C)C ZINC001040260789 1345400458 /nfs/dbraw/zinc/40/04/58/1345400458.db2.gz ISYFOGZAERQPEI-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040700017 1345567236 /nfs/dbraw/zinc/56/72/36/1345567236.db2.gz GKNZTPBENBLROQ-IBGZPJMESA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001040727547 1345571282 /nfs/dbraw/zinc/57/12/82/1345571282.db2.gz SLEBUIZCLKUHQW-LJQANCHMSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001040799303 1345578904 /nfs/dbraw/zinc/57/89/04/1345578904.db2.gz ZLMPNPUTLLOTIA-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953196 1345609492 /nfs/dbraw/zinc/60/94/92/1345609492.db2.gz KUZFNDFXCYYGEC-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433181 1345726659 /nfs/dbraw/zinc/72/66/59/1345726659.db2.gz WBMIXQPZOQAWRC-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743984 1345838770 /nfs/dbraw/zinc/83/87/70/1345838770.db2.gz RRYYDBWMBGMZDF-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368582 1346059369 /nfs/dbraw/zinc/05/93/69/1346059369.db2.gz RXQCXIUPGNBCME-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042367971 1346059448 /nfs/dbraw/zinc/05/94/48/1346059448.db2.gz NBTQGQXDSZSNGQ-FXAWDEMLSA-N 2 0 343.515 3.085 20 0 EGADRP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1C[NH+](CC2CCCCCC2)C1 ZINC001043072768 1346137008 /nfs/dbraw/zinc/13/70/08/1346137008.db2.gz HRMSQYMXCMITNB-AZUAARDMSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001043072773 1346137051 /nfs/dbraw/zinc/13/70/51/1346137051.db2.gz HRMSQYMXCMITNB-QUCCMNQESA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC(C)(C)C)C1 ZINC001044170746 1346265309 /nfs/dbraw/zinc/26/53/09/1346265309.db2.gz VBRGPESJNPYUPU-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001044170374 1346265344 /nfs/dbraw/zinc/26/53/44/1346265344.db2.gz OAQJBSISTAWBMQ-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045076308 1346490563 /nfs/dbraw/zinc/49/05/63/1346490563.db2.gz RRAIJWQEMDMOQG-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC001045229059 1346536481 /nfs/dbraw/zinc/53/64/81/1346536481.db2.gz HLGYGCHIBHNULM-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CCC(C)(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001045390267 1346580634 /nfs/dbraw/zinc/58/06/34/1346580634.db2.gz PQOAASARMVAOGG-HKUYNNGSSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045488824 1346607279 /nfs/dbraw/zinc/60/72/79/1346607279.db2.gz JCZIJDIBHANVNO-HNNXBMFYSA-N 2 0 342.487 3.273 20 0 EGADRP CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045585054 1346637418 /nfs/dbraw/zinc/63/74/18/1346637418.db2.gz MHSHVQKIZUBPHV-OALUTQOASA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001045789812 1346698793 /nfs/dbraw/zinc/69/87/93/1346698793.db2.gz SZHXDTJIAAMKKP-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001045943049 1346778844 /nfs/dbraw/zinc/77/88/44/1346778844.db2.gz FRSCJGHJXCXRNI-PZJWPPBQSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961068 1346796537 /nfs/dbraw/zinc/79/65/37/1346796537.db2.gz FLCZTIZTCKLNNK-IRFCIJBXSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCC(C)C)C2)C1)[NH+](C)C ZINC001045967576 1346802397 /nfs/dbraw/zinc/80/23/97/1346802397.db2.gz XSHVVCMVSZMNMT-AZUAARDMSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001045984680 1346825357 /nfs/dbraw/zinc/82/53/57/1346825357.db2.gz GLBVMWGQMWGCPE-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CCC)CC2)C1 ZINC001047241284 1347267591 /nfs/dbraw/zinc/26/75/91/1347267591.db2.gz PGZDNTAEBAQCEG-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047256328 1347279448 /nfs/dbraw/zinc/27/94/48/1347279448.db2.gz JBDLRVLDZFVHMV-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047843680 1347386924 /nfs/dbraw/zinc/38/69/24/1347386924.db2.gz JSOCWTNRVXDHOR-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047887843 1347399572 /nfs/dbraw/zinc/39/95/72/1347399572.db2.gz CCHBYDCLCXULMD-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC ZINC001048584185 1347606395 /nfs/dbraw/zinc/60/63/95/1347606395.db2.gz VNIUUEUXWACQBN-FCGDIQPGSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001048624226 1347623150 /nfs/dbraw/zinc/62/31/50/1347623150.db2.gz KZZSKRZDVMQDCO-UFYCRDLUSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910596 1347682876 /nfs/dbraw/zinc/68/28/76/1347682876.db2.gz BWQPHNQLLXUCRB-KURKYZTESA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCCC1 ZINC001049369410 1347807943 /nfs/dbraw/zinc/80/79/43/1347807943.db2.gz OCYSXRCKQLUDTQ-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCC2CCC2)CCC1 ZINC001049516759 1347887738 /nfs/dbraw/zinc/88/77/38/1347887738.db2.gz FSHAVOMQYJQOGP-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC2=CCCCC2)CCC1 ZINC001049518792 1347888867 /nfs/dbraw/zinc/88/88/67/1347888867.db2.gz VTZFSHYLIQIHRF-RTBURBONSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049520806 1347889067 /nfs/dbraw/zinc/88/90/67/1347889067.db2.gz DYWUYCQBYSWYJJ-HSALFYBXSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049520215 1347889591 /nfs/dbraw/zinc/88/95/91/1347889591.db2.gz CCMDXZDYHQSVTG-XUVXKRRUSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC1 ZINC001049520624 1347889638 /nfs/dbraw/zinc/88/96/38/1347889638.db2.gz CXDHTPPLMYKUCX-AQNXPRMDSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049534974 1347896253 /nfs/dbraw/zinc/89/62/53/1347896253.db2.gz XURMQOPRIRGFCA-OTWHNJEPSA-N 2 0 349.563 3.074 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049548875 1347902919 /nfs/dbraw/zinc/90/29/19/1347902919.db2.gz GGXPOPZCZZXZJC-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563192 1347911110 /nfs/dbraw/zinc/91/11/10/1347911110.db2.gz CXQUAKQMACYNHC-MSOLQXFVSA-N 2 0 335.536 3.115 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049711313 1347986106 /nfs/dbraw/zinc/98/61/06/1347986106.db2.gz LXFODVMGRSRKIJ-GUDVDZBRSA-N 2 0 337.552 3.074 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049727883 1347991197 /nfs/dbraw/zinc/99/11/97/1347991197.db2.gz MGZCHXLQQPOFGR-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764444 1348009338 /nfs/dbraw/zinc/00/93/38/1348009338.db2.gz CZWVOTFPIIJJEJ-SLFFLAALSA-N 2 0 347.547 3.282 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049765794 1348009531 /nfs/dbraw/zinc/00/95/31/1348009531.db2.gz HZDYOZWXFJYYRR-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079805088 1357388396 /nfs/dbraw/zinc/38/83/96/1357388396.db2.gz IUHJGMGKDWNZJM-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919228 1348112117 /nfs/dbraw/zinc/11/21/17/1348112117.db2.gz OBIICRWHTVZVPH-PMACEKPBSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050245303 1348217319 /nfs/dbraw/zinc/21/73/19/1348217319.db2.gz LTQXGQGNSYAJOP-LJQANCHMSA-N 2 0 331.504 3.016 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001050375063 1348242645 /nfs/dbraw/zinc/24/26/45/1348242645.db2.gz DWNFCUOUYGXTFA-WTGUMLROSA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050392391 1348248985 /nfs/dbraw/zinc/24/89/85/1348248985.db2.gz ABGPKCUWXJMNGA-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050543868 1348286830 /nfs/dbraw/zinc/28/68/30/1348286830.db2.gz MSYUUFCLUIMSQH-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050687630 1348327487 /nfs/dbraw/zinc/32/74/87/1348327487.db2.gz ONLAKODWSKYIQW-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001052395205 1348539499 /nfs/dbraw/zinc/53/94/99/1348539499.db2.gz NAHYVMFKMFISPN-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447000 1348544007 /nfs/dbraw/zinc/54/40/07/1348544007.db2.gz VHDPRXXWPDNZJO-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052529864 1348567192 /nfs/dbraw/zinc/56/71/92/1348567192.db2.gz TULSUXNCVLXWCG-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052529865 1348567337 /nfs/dbraw/zinc/56/73/37/1348567337.db2.gz TULSUXNCVLXWCG-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680747 1348628196 /nfs/dbraw/zinc/62/81/96/1348628196.db2.gz SQCGDGKRJQFLOS-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052712898 1348645182 /nfs/dbraw/zinc/64/51/82/1348645182.db2.gz PKLHFIMIDFGZAE-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC001052819713 1348689502 /nfs/dbraw/zinc/68/95/02/1348689502.db2.gz IHWAIMAJEMPFQY-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052955183 1348769734 /nfs/dbraw/zinc/76/97/34/1348769734.db2.gz AIDOQFFMHDNNCS-QZTJIDSGSA-N 2 0 349.544 3.093 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052958370 1348772038 /nfs/dbraw/zinc/77/20/38/1348772038.db2.gz MDHFSGQNNAFTRY-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029974 1348828982 /nfs/dbraw/zinc/82/89/82/1348828982.db2.gz ZGTXTLQWQZJAHM-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050626 1348853182 /nfs/dbraw/zinc/85/31/82/1348853182.db2.gz GSRIJBNYYZPBLF-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001053089532 1348915563 /nfs/dbraw/zinc/91/55/63/1348915563.db2.gz BSFNLYPINRPSBM-APWZRJJASA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100948 1348934751 /nfs/dbraw/zinc/93/47/51/1348934751.db2.gz JXYCLWVLNWBVAR-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174009 1349175692 /nfs/dbraw/zinc/17/56/92/1349175692.db2.gz JCLIWTKBJKOBLL-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001054191779 1349193758 /nfs/dbraw/zinc/19/37/58/1349193758.db2.gz MEHBWPRRHNYUHS-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209169 1349210400 /nfs/dbraw/zinc/21/04/00/1349210400.db2.gz KPXDYPMWUTZBPI-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214199 1349214037 /nfs/dbraw/zinc/21/40/37/1349214037.db2.gz SXDHPHNIMJBNTB-OAQYLSRUSA-N 2 0 343.515 3.085 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245046 1349238814 /nfs/dbraw/zinc/23/88/14/1349238814.db2.gz NSYXNGHURYHVEE-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245201 1349238887 /nfs/dbraw/zinc/23/88/87/1349238887.db2.gz PSYANUNTUDZUDY-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270368 1349268431 /nfs/dbraw/zinc/26/84/31/1349268431.db2.gz MVBKQUCRTGKJMV-HXUWFJFHSA-N 2 0 341.499 3.069 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001054297846 1349302339 /nfs/dbraw/zinc/30/23/39/1349302339.db2.gz JDCALBZVLJIVII-HSALFYBXSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442449 1357622662 /nfs/dbraw/zinc/62/26/62/1357622662.db2.gz AJDXANNVGBWNIQ-ZIFCJYIRSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600633 1354788904 /nfs/dbraw/zinc/78/89/04/1354788904.db2.gz OLAIYKAYOYWLPW-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@@H+]1CCC(C)(C)C ZINC001071606013 1354792276 /nfs/dbraw/zinc/79/22/76/1354792276.db2.gz FJMNTGQGRWSJHG-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071735083 1354887116 /nfs/dbraw/zinc/88/71/16/1354887116.db2.gz GBYJPHIXJXNZDI-AEFFLSMTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001071739300 1354888746 /nfs/dbraw/zinc/88/87/46/1354888746.db2.gz QNVLGLJCLXNICK-IEBWSBKVSA-N 2 0 343.515 3.030 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099701 1355130135 /nfs/dbraw/zinc/13/01/35/1355130135.db2.gz VXIJODQPIBWNJW-SJLPKXTDSA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(C)C)C2)o1 ZINC001072110087 1355136614 /nfs/dbraw/zinc/13/66/14/1355136614.db2.gz SGECDIAJHBIIBV-DLBZAZTESA-N 2 0 349.519 3.360 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813179 1355448753 /nfs/dbraw/zinc/44/87/53/1355448753.db2.gz HTBNPUHCBVAMER-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001072851271 1355464886 /nfs/dbraw/zinc/46/48/86/1355464886.db2.gz PVROBHVQUODUDJ-RTBURBONSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)C1 ZINC001073125682 1355610044 /nfs/dbraw/zinc/61/00/44/1355610044.db2.gz FDVOQSOXBVHPCH-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001183221423 1387282145 /nfs/dbraw/zinc/28/21/45/1387282145.db2.gz IDANCGAXYTUWMB-YLJYHZDGSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001074653016 1356220803 /nfs/dbraw/zinc/22/08/03/1356220803.db2.gz SHYMVLLFXCNJOT-QRFRQXIXSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C ZINC001074686121 1356224619 /nfs/dbraw/zinc/22/46/19/1356224619.db2.gz QGGQHEJTIAEKRN-IHPCNDPISA-N 2 0 347.547 3.329 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C)c1 ZINC001074803892 1356248206 /nfs/dbraw/zinc/24/82/06/1356248206.db2.gz TZZMDJTZMPZXNY-LCLWPZTBSA-N 2 0 343.515 3.038 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C)c1ccccc1 ZINC001074878421 1356276746 /nfs/dbraw/zinc/27/67/46/1356276746.db2.gz UFZYHWUIOVCJEK-AOIWGVFYSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C)c1 ZINC001075108698 1356309310 /nfs/dbraw/zinc/30/93/10/1356309310.db2.gz DLMONTROAGVZFZ-BJLQDIEVSA-N 2 0 343.515 3.039 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099315872 1363745383 /nfs/dbraw/zinc/74/53/83/1363745383.db2.gz IXUIHEGQRBJULR-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080782888 1357738251 /nfs/dbraw/zinc/73/82/51/1357738251.db2.gz GGLHEHDGGKISRW-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082559879 1358057292 /nfs/dbraw/zinc/05/72/92/1358057292.db2.gz RKPMJHDVZQHFIL-NSISKUIASA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001183509125 1387315061 /nfs/dbraw/zinc/31/50/61/1387315061.db2.gz AEGJBHLAIYUPFT-CLKPHGLSSA-N 2 0 337.552 3.147 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001183516936 1387316110 /nfs/dbraw/zinc/31/61/10/1387316110.db2.gz GVJPCPNBULWWGH-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001084429287 1358211926 /nfs/dbraw/zinc/21/19/26/1358211926.db2.gz XHCVTZFNOJOIML-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853107 1358328537 /nfs/dbraw/zinc/32/85/37/1358328537.db2.gz IAPMHBYNYSMATC-QRVBRYPASA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084939158 1358352293 /nfs/dbraw/zinc/35/22/93/1358352293.db2.gz URFNEMBYANQCOQ-QRVBRYPASA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084963378 1358355429 /nfs/dbraw/zinc/35/54/29/1358355429.db2.gz QDPOHUGXOCKKGX-QRVBRYPASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085196774 1358431659 /nfs/dbraw/zinc/43/16/59/1358431659.db2.gz NMGGVEKIXABHQZ-VAMGGRTRSA-N 2 0 347.547 3.377 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085217946 1358436079 /nfs/dbraw/zinc/43/60/79/1358436079.db2.gz YVDJQIGKJADVAZ-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001323339784 1387343646 /nfs/dbraw/zinc/34/36/46/1387343646.db2.gz JHYSTWBNALYJTK-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001183759569 1387345035 /nfs/dbraw/zinc/34/50/35/1387345035.db2.gz MKZQZASTQUZCBX-XWGMLZDCSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725311 1358713570 /nfs/dbraw/zinc/71/35/70/1358713570.db2.gz SEKYINFNWCMEBH-OXQOHEQNSA-N 2 0 348.450 3.242 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001085778748 1358753167 /nfs/dbraw/zinc/75/31/67/1358753167.db2.gz GMHLEOBGVZRMLC-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183827092 1387354891 /nfs/dbraw/zinc/35/48/91/1387354891.db2.gz UVYKXNQBIQVFRV-GOSISDBHSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901327 1358858905 /nfs/dbraw/zinc/85/89/05/1358858905.db2.gz CGIIVDAQQCBWMA-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001086122781 1359002844 /nfs/dbraw/zinc/00/28/44/1359002844.db2.gz YFHLATGNBKQEMJ-XEYPJELSSA-N 2 0 343.515 3.025 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001086138281 1359006192 /nfs/dbraw/zinc/00/61/92/1359006192.db2.gz BCNYHHGGZBIZIQ-MAEOIBBWSA-N 2 0 340.471 3.013 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086381830 1359083397 /nfs/dbraw/zinc/08/33/97/1359083397.db2.gz JXHZHDBFMZLBQL-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001086387649 1359084680 /nfs/dbraw/zinc/08/46/80/1359084680.db2.gz NPRFEDJDHWQZON-BJLQDIEVSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001086466547 1359107958 /nfs/dbraw/zinc/10/79/58/1359107958.db2.gz IWOHHYFETQHJBS-DMUMMCEESA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086694480 1359187456 /nfs/dbraw/zinc/18/74/56/1359187456.db2.gz VAEHACAKSGDGHT-QXAKKESOSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086696646 1359188168 /nfs/dbraw/zinc/18/81/68/1359188168.db2.gz UQCPPFFBEOWYOK-IPMKNSEASA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086940892 1359262570 /nfs/dbraw/zinc/26/25/70/1359262570.db2.gz CTMOFRYJVFKRLC-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952251 1359272443 /nfs/dbraw/zinc/27/24/43/1359272443.db2.gz DAKMLJSZEPGFJR-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001087212536 1359322554 /nfs/dbraw/zinc/32/25/54/1359322554.db2.gz GBNFRYQKILOOAN-GGPKGHCWSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001087602298 1359550679 /nfs/dbraw/zinc/55/06/79/1359550679.db2.gz JJIWOBBXZUWWBF-XUVXKRRUSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CC1=CCCCC1 ZINC001087840746 1359675415 /nfs/dbraw/zinc/67/54/15/1359675415.db2.gz MHGZCILKOFWOKR-XUVXKRRUSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966765 1359721151 /nfs/dbraw/zinc/72/11/51/1359721151.db2.gz UHCJNFKOMQPGKF-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966582 1359721927 /nfs/dbraw/zinc/72/19/27/1359721927.db2.gz KNKGZADINDEUAV-OTWHNJEPSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(C)C)CC[C@@H]2C1 ZINC001088166775 1359778989 /nfs/dbraw/zinc/77/89/89/1359778989.db2.gz QSWQUYDTBQJTTI-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001088356612 1359841148 /nfs/dbraw/zinc/84/11/48/1359841148.db2.gz FYTXSNQRZKKYJF-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088382228 1359865441 /nfs/dbraw/zinc/86/54/41/1359865441.db2.gz XBDBKAXJJFZODG-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088431110 1359898810 /nfs/dbraw/zinc/89/88/10/1359898810.db2.gz IJTXJQJZMIKGMA-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CCC1CC1 ZINC001088569559 1359976191 /nfs/dbraw/zinc/97/61/91/1359976191.db2.gz YVIWYZJDOCNSQC-POAQFYNOSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001088567482 1359977125 /nfs/dbraw/zinc/97/71/25/1359977125.db2.gz QUNIDIUTROBLDD-MJGOQNOKSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001088791981 1360045936 /nfs/dbraw/zinc/04/59/36/1360045936.db2.gz NJBIMOMJUKPQCZ-MJGOQNOKSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC001088952983 1360112880 /nfs/dbraw/zinc/11/28/80/1360112880.db2.gz UGUJENLBHGHMMY-AEFFLSMTSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392494 1360392771 /nfs/dbraw/zinc/39/27/71/1360392771.db2.gz VPOHAMWEQXYXDJ-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407082 1360405660 /nfs/dbraw/zinc/40/56/60/1360405660.db2.gz VUDPTZUVYYMBNT-IEBWSBKVSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416837 1360411211 /nfs/dbraw/zinc/41/12/11/1360411211.db2.gz QYUOBYQRTYUXSP-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001184412611 1387453304 /nfs/dbraw/zinc/45/33/04/1387453304.db2.gz UPBNRPFBGHIXEA-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089420124 1360414644 /nfs/dbraw/zinc/41/46/44/1360414644.db2.gz JXGNUJPHKQXMCE-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509038 1360480990 /nfs/dbraw/zinc/48/09/90/1360480990.db2.gz DELLLDRFQICXKP-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510337 1360481287 /nfs/dbraw/zinc/48/12/87/1360481287.db2.gz RIDPSHCJZUTBNT-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089537498 1360495693 /nfs/dbraw/zinc/49/56/93/1360495693.db2.gz NSURKRFYQLBMOG-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563338 1360510424 /nfs/dbraw/zinc/51/04/24/1360510424.db2.gz QFBMZUNQIGMZES-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CCCCC2)C1 ZINC001089564294 1360510681 /nfs/dbraw/zinc/51/06/81/1360510681.db2.gz XSWRMIRQTVBUHK-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC(C)(C)C1 ZINC001089616988 1360536828 /nfs/dbraw/zinc/53/68/28/1360536828.db2.gz QQPQIBLMGAPYRB-ZWKOTPCHSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001089641881 1360554709 /nfs/dbraw/zinc/55/47/09/1360554709.db2.gz WCTQJIYNCMNCBM-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC001184499764 1387474717 /nfs/dbraw/zinc/47/47/17/1387474717.db2.gz MSCYAUIXOMFJAF-DAILNLJWSA-N 2 0 348.535 3.047 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001091064650 1360988426 /nfs/dbraw/zinc/98/84/26/1360988426.db2.gz LSRJNHBMKDEUSA-GPJFCIFZSA-N 2 0 349.563 3.029 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184578078 1387497460 /nfs/dbraw/zinc/49/74/60/1387497460.db2.gz QPNMLEDBQSRQQV-KAGICYHLSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001323936880 1387498464 /nfs/dbraw/zinc/49/84/64/1387498464.db2.gz PFKVQYNQGSLPIY-OAQYLSRUSA-N 2 0 346.515 3.002 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)CCCC1 ZINC001184629332 1387501528 /nfs/dbraw/zinc/50/15/28/1387501528.db2.gz XQOLCJIGVCAKDJ-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736515 1361450693 /nfs/dbraw/zinc/45/06/93/1361450693.db2.gz TXUQRZTUTOGCNL-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094950667 1361958027 /nfs/dbraw/zinc/95/80/27/1361958027.db2.gz NHZWKDKRLHDQTD-BQFCYCMXSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)CC[N@@H+]1C ZINC001095441081 1362142239 /nfs/dbraw/zinc/14/22/39/1362142239.db2.gz NGTHWAMUZUCWKC-CXQPBAHBSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095499017 1362157482 /nfs/dbraw/zinc/15/74/82/1362157482.db2.gz NARCJXBSFKWCPY-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(CC)CC ZINC001095498814 1362157502 /nfs/dbraw/zinc/15/75/02/1362157502.db2.gz FMVWPBPAHIXZEU-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912302 1362285351 /nfs/dbraw/zinc/28/53/51/1362285351.db2.gz QWPYMNQZSDQTSI-FUMNGEBKSA-N 2 0 347.547 3.161 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)CC1 ZINC001095962785 1362311380 /nfs/dbraw/zinc/31/13/80/1362311380.db2.gz FSTWKSGMEIGWDY-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063120 1362829528 /nfs/dbraw/zinc/82/95/28/1362829528.db2.gz GZUDJNWTSRMRHL-YRXWBPOGSA-N 2 0 335.536 3.017 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC001324354745 1387608058 /nfs/dbraw/zinc/60/80/58/1387608058.db2.gz BMIOSOXOQBMHNF-MHJFOBGBSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001097854036 1363142480 /nfs/dbraw/zinc/14/24/80/1363142480.db2.gz SWBUQJPEWXLBCQ-AFYVEPGGSA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH+](CC)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324392505 1387617020 /nfs/dbraw/zinc/61/70/20/1387617020.db2.gz LRIAQDDVZPFPDS-IHWFROFDSA-N 2 0 343.515 3.030 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001098463959 1363333259 /nfs/dbraw/zinc/33/32/59/1363333259.db2.gz JBSLFWBFDDJSAV-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110717 1363628343 /nfs/dbraw/zinc/62/83/43/1363628343.db2.gz HJMFAJNRFWAPRM-GHOSXJJBSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1)C1CCC1 ZINC001099111361 1363629591 /nfs/dbraw/zinc/62/95/91/1363629591.db2.gz ZOSSTHIGCLGASJ-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225288 1363701190 /nfs/dbraw/zinc/70/11/90/1363701190.db2.gz RHZVOZIMLRLSMB-QZTJIDSGSA-N 2 0 337.552 3.146 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001099251373 1363714050 /nfs/dbraw/zinc/71/40/50/1363714050.db2.gz JFZAKMHRBKGZGD-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C/C=C/Cl ZINC001099320255 1363747409 /nfs/dbraw/zinc/74/74/09/1363747409.db2.gz HRUVEGOBXMYULC-VGZDNEPHSA-N 2 0 343.943 3.078 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC[C@@H](C)F ZINC001099320361 1363748158 /nfs/dbraw/zinc/74/81/58/1363748158.db2.gz ITYCCSIYSSPHEU-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001099347709 1363764093 /nfs/dbraw/zinc/76/40/93/1363764093.db2.gz AWPFCIRGHAALLS-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)CC[NH+]2CCCCC2)[N@H+](CCC2CC2)C1 ZINC001099354126 1363768141 /nfs/dbraw/zinc/76/81/41/1363768141.db2.gz MLJHKSYMZLUKEJ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372476 1363777715 /nfs/dbraw/zinc/77/77/15/1363777715.db2.gz NUFKHJVUCJZQHF-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099535514 1363837588 /nfs/dbraw/zinc/83/75/88/1363837588.db2.gz GXTCGEPBUYUSPB-NMLBUPMWSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001100383300 1364097548 /nfs/dbraw/zinc/09/75/48/1364097548.db2.gz UREKSUOSIMWAAQ-SBDAGSLNSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100406059 1364104257 /nfs/dbraw/zinc/10/42/57/1364104257.db2.gz ZAFRFBKFDVHVHS-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562524 1364163907 /nfs/dbraw/zinc/16/39/07/1364163907.db2.gz QAKOROHUBVIZNJ-SREVYHEPSA-N 2 0 335.536 3.092 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CCCC(C)C)C1)[NH+](CC)CC ZINC001100669266 1364211291 /nfs/dbraw/zinc/21/12/91/1364211291.db2.gz RNQWHNJTUCDIQY-DAWZGUTISA-N 2 0 325.541 3.027 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100731983 1364239589 /nfs/dbraw/zinc/23/95/89/1364239589.db2.gz OEYGJIQYQLXCLM-LDKXRIIXSA-N 2 0 335.536 3.092 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)C(C)C ZINC001100765825 1364251716 /nfs/dbraw/zinc/25/17/16/1364251716.db2.gz CKRLVOQRCJEKRA-SOAGJPPSSA-N 2 0 349.563 3.338 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)CC1 ZINC001100815284 1364275694 /nfs/dbraw/zinc/27/56/94/1364275694.db2.gz QJPHPDZTKRVQKY-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C)cc2C)C1 ZINC001100898545 1364320329 /nfs/dbraw/zinc/32/03/29/1364320329.db2.gz MMZWPOCXEWLEPW-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001101037161 1364384013 /nfs/dbraw/zinc/38/40/13/1364384013.db2.gz BLOGKQPOGXLQNF-PPSBMQLTSA-N 2 0 349.494 3.101 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362983 1364528003 /nfs/dbraw/zinc/52/80/03/1364528003.db2.gz LUORZIBBWLHDBI-BJPJZYQZSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)CCC[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001102122783 1364872691 /nfs/dbraw/zinc/87/26/91/1364872691.db2.gz LNWLGGQGZFIXGO-SJLPKXTDSA-N 2 0 342.487 3.068 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292535 1364988069 /nfs/dbraw/zinc/98/80/69/1364988069.db2.gz RKMKOJVASDUHBD-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357771 1365020654 /nfs/dbraw/zinc/02/06/54/1365020654.db2.gz IOSNXSACBLTZIV-RPSDLQHZSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001102366996 1365025831 /nfs/dbraw/zinc/02/58/31/1365025831.db2.gz XRCFQMOJEWSKLF-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521038 1365097065 /nfs/dbraw/zinc/09/70/65/1365097065.db2.gz NSVXXUISIMJITP-YZBXUTEPSA-N 2 0 337.552 3.149 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102582921 1365123902 /nfs/dbraw/zinc/12/39/02/1365123902.db2.gz CHEVIIBGKTWZSN-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001324669628 1387726387 /nfs/dbraw/zinc/72/63/87/1387726387.db2.gz PREJVRSTAKHNER-FXAWDEMLSA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086410 1365373491 /nfs/dbraw/zinc/37/34/91/1365373491.db2.gz APJQDDDUHWBHFX-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001185525968 1387739165 /nfs/dbraw/zinc/73/91/65/1387739165.db2.gz IHNLRYYYPKUXCZ-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360638 1365517386 /nfs/dbraw/zinc/51/73/86/1365517386.db2.gz NQENMQXWGCDBSS-GGPKGHCWSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H]2C[NH+](CC=C(C)C)C[C@H]2C)C1 ZINC001103359200 1365517557 /nfs/dbraw/zinc/51/75/57/1365517557.db2.gz OPLREJSWQZEAQD-AQNXPRMDSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570978 1365644957 /nfs/dbraw/zinc/64/49/57/1365644957.db2.gz OSXPIJRMPSAQGH-SBUVDCAVSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001185609719 1387760219 /nfs/dbraw/zinc/76/02/19/1387760219.db2.gz MXVYWEWYHCHAPK-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644656 1365697921 /nfs/dbraw/zinc/69/79/21/1365697921.db2.gz KEYIXFUHFGKWPV-IVCWSTDESA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001103662890 1365710980 /nfs/dbraw/zinc/71/09/80/1365710980.db2.gz YVXWEELXEXIZQD-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103756874 1365766642 /nfs/dbraw/zinc/76/66/42/1365766642.db2.gz DUVGOETVXFFMCC-VJQBDMSCSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104294176 1365978363 /nfs/dbraw/zinc/97/83/63/1365978363.db2.gz AIERUNLJXVYEFV-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104310752 1365979507 /nfs/dbraw/zinc/97/95/07/1365979507.db2.gz GSSSEISCRVFUKQ-QFTWQFLFSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1cccc(F)c1 ZINC001185706867 1387783158 /nfs/dbraw/zinc/78/31/58/1387783158.db2.gz SCHHQICVMKNUMW-MAUKXSAKSA-N 2 0 349.494 3.055 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001185729785 1387785475 /nfs/dbraw/zinc/78/54/75/1387785475.db2.gz JFKWHUOQJRNSQN-UNQUKWGNSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104691717 1366132067 /nfs/dbraw/zinc/13/20/67/1366132067.db2.gz SKRQMBHMMZTNBX-PWHNWJGYSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185751034 1387789618 /nfs/dbraw/zinc/78/96/18/1387789618.db2.gz NPQCWXIDKQEILU-ICSRJNTNSA-N 2 0 349.563 3.291 20 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ZINC001105544405 1366521714 /nfs/dbraw/zinc/52/17/14/1366521714.db2.gz IYJCWPHUKNAFBF-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556479 1366529370 /nfs/dbraw/zinc/52/93/70/1366529370.db2.gz HUUTVHVDVKCALZ-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105564324 1366533244 /nfs/dbraw/zinc/53/32/44/1366533244.db2.gz ZTNXKORVTJWHGG-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105576857 1366541533 /nfs/dbraw/zinc/54/15/33/1366541533.db2.gz MOOMMMVKODQIIA-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577685 1366542161 /nfs/dbraw/zinc/54/21/61/1366542161.db2.gz YJAZIKCHOJQRSQ-RTBURBONSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106120465 1366612758 /nfs/dbraw/zinc/61/27/58/1366612758.db2.gz VZNWHEJRMZSFDQ-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210976 1366624608 /nfs/dbraw/zinc/62/46/08/1366624608.db2.gz LIBPTGPEBWIXBW-FBYXPACISA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210978 1366624614 /nfs/dbraw/zinc/62/46/14/1366624614.db2.gz LIBPTGPEBWIXBW-QSMUSEHHSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282197 1366643009 /nfs/dbraw/zinc/64/30/09/1366643009.db2.gz XUUNZSZJCQVUPD-QHSFFJGXSA-N 2 0 337.552 3.003 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107407631 1366954702 /nfs/dbraw/zinc/95/47/02/1366954702.db2.gz DGZZUHZUIZSMIU-WIYYLYMNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107483482 1366984901 /nfs/dbraw/zinc/98/49/01/1366984901.db2.gz ZZBQSGBIJUCIOT-TZIWHRDSSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1=CCCCC1)CC2 ZINC001107522780 1367017042 /nfs/dbraw/zinc/01/70/42/1367017042.db2.gz SXCCPQQDDHXAEP-TZIWHRDSSA-N 2 0 347.547 3.189 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524003 1367017872 /nfs/dbraw/zinc/01/78/72/1367017872.db2.gz BPPXODJQSOXMPM-YHTLKTDXSA-N 2 0 335.536 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546707 1367036925 /nfs/dbraw/zinc/03/69/25/1367036925.db2.gz MKSAIYVGBXYIDZ-FBBABVLZSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109307433 1367047881 /nfs/dbraw/zinc/04/78/81/1367047881.db2.gz KWYQWNJVOVFZDO-SPOLIRPYSA-N 2 0 335.536 3.019 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001107583094 1367057062 /nfs/dbraw/zinc/05/70/62/1367057062.db2.gz PHRXYJDDSZULJY-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)C1 ZINC001107609565 1367070121 /nfs/dbraw/zinc/07/01/21/1367070121.db2.gz XKLPLSSANQEQCQ-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189646095 1367077321 /nfs/dbraw/zinc/07/73/21/1367077321.db2.gz HRWRJGSLTIVQAK-XUVXKRRUSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001107646141 1367090995 /nfs/dbraw/zinc/09/09/95/1367090995.db2.gz DXFKRHGLYNVITR-TZIWHRDSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001109371649 1367091637 /nfs/dbraw/zinc/09/16/37/1367091637.db2.gz NYBNHSQNRYTDTD-XWSJACJDSA-N 2 0 335.536 3.163 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001109417886 1367112021 /nfs/dbraw/zinc/11/20/21/1367112021.db2.gz QKCMPDUECVQLBF-YRXWBPOGSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520761 1367174625 /nfs/dbraw/zinc/17/46/25/1367174625.db2.gz YXSFPQAMMLEIRM-NEWSRXKRSA-N 2 0 340.471 3.106 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177137 1367191147 /nfs/dbraw/zinc/19/11/47/1367191147.db2.gz PPQJGSSHAMAUNC-IPLHWJFFSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186083234 1387861991 /nfs/dbraw/zinc/86/19/91/1387861991.db2.gz WHWBYUUSPHXLFL-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714573 1367289574 /nfs/dbraw/zinc/28/95/74/1367289574.db2.gz PEBMBCSELYLKGK-LPMJMLMNSA-N 2 0 335.536 3.185 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001109714303 1367289721 /nfs/dbraw/zinc/28/97/21/1367289721.db2.gz GHSLBHHGOJRZIZ-HCXYKTFWSA-N 2 0 349.563 3.265 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001109714304 1367289979 /nfs/dbraw/zinc/28/99/79/1367289979.db2.gz GHSLBHHGOJRZIZ-XWSJACJDSA-N 2 0 349.563 3.265 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1)[NH+](CC)CC ZINC001109714342 1367290296 /nfs/dbraw/zinc/29/02/96/1367290296.db2.gz HLFIOWPPYHNXRR-FYQPLNBISA-N 2 0 343.515 3.029 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1)CC(C)(C)C ZINC001109724478 1367293692 /nfs/dbraw/zinc/29/36/92/1367293692.db2.gz VJRBFTAGELSGJI-QYZOEREBSA-N 2 0 347.547 3.186 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656553 1367320653 /nfs/dbraw/zinc/32/06/53/1367320653.db2.gz UZYLGPKGVWCJSH-WWTANLFGSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798595 1367329378 /nfs/dbraw/zinc/32/93/78/1367329378.db2.gz JUDIOELLUJHNLX-FYQPLNBISA-N 2 0 349.563 3.407 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080282 1367419174 /nfs/dbraw/zinc/41/91/74/1367419174.db2.gz FXXKHEWMAXTCIO-OOFWQKGWSA-N 2 0 340.471 3.145 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080281 1367419352 /nfs/dbraw/zinc/41/93/52/1367419352.db2.gz FXXKHEWMAXTCIO-DUMMIQTOSA-N 2 0 340.471 3.145 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506599 1367515871 /nfs/dbraw/zinc/51/58/71/1367515871.db2.gz ADJRWOCUYGJWPT-BGEOSOQGSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148093 1367525833 /nfs/dbraw/zinc/52/58/33/1367525833.db2.gz IKUYAOGIJWAXSQ-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110158501 1367530920 /nfs/dbraw/zinc/53/09/20/1367530920.db2.gz PWSUFGRQCOEOOZ-YDZRNGNQSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001110159150 1367531505 /nfs/dbraw/zinc/53/15/05/1367531505.db2.gz BGCKRKHJFNPPOC-QYZOEREBSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108702923 1367542623 /nfs/dbraw/zinc/54/26/23/1367542623.db2.gz GLXIITVUSFUEJP-KSZLIROESA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719639 1367555156 /nfs/dbraw/zinc/55/51/56/1367555156.db2.gz WKWHFEJSNGHCRI-BZSNNMDCSA-N 2 0 347.547 3.020 20 0 EGADRP CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCCC2)C3)C1 ZINC001110188779 1367555729 /nfs/dbraw/zinc/55/57/29/1367555729.db2.gz QGFAFNBPVRZEDA-PBDJWPIDSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001108725484 1367559392 /nfs/dbraw/zinc/55/93/92/1367559392.db2.gz BJSLQJGTUOGSPP-IEZWGBDMSA-N 2 0 340.471 3.107 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738658 1367567675 /nfs/dbraw/zinc/56/76/75/1367567675.db2.gz CYTJGJBRJJKFQU-FHWLQOOXSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794093 1367599810 /nfs/dbraw/zinc/59/98/10/1367599810.db2.gz NZCHEKZRFXXQTO-LNMLPRMJSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828328 1367623404 /nfs/dbraw/zinc/62/34/04/1367623404.db2.gz LWQKJAQOFQHHOD-UFYCRDLUSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108831461 1367624725 /nfs/dbraw/zinc/62/47/25/1367624725.db2.gz GDUPYYYXXQCUPO-LNMLPRMJSA-N 2 0 335.536 3.042 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834583 1367627160 /nfs/dbraw/zinc/62/71/60/1367627160.db2.gz UVEURPJBSMBKHC-FHWLQOOXSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(CC)CC)C2)C1 ZINC001191921788 1367639889 /nfs/dbraw/zinc/63/98/89/1367639889.db2.gz FSOWKCNXAGCNBJ-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923482 1367641217 /nfs/dbraw/zinc/64/12/17/1367641217.db2.gz WPBSCTQEIAQUEE-WWTANLFGSA-N 2 0 349.563 3.388 20 0 EGADRP CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191948148 1367646624 /nfs/dbraw/zinc/64/66/24/1367646624.db2.gz MDCGCTSZEBMSSE-MOPGFXCFSA-N 2 0 335.536 3.116 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016963 1367665281 /nfs/dbraw/zinc/66/52/81/1367665281.db2.gz KLWNNAGIUGZKCL-RTBURBONSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1)[NH+](CC)CC ZINC001192323040 1367750822 /nfs/dbraw/zinc/75/08/22/1367750822.db2.gz AAIXQHKJDSCAAC-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192325624 1367752434 /nfs/dbraw/zinc/75/24/34/1367752434.db2.gz MGRCHCHWTLMSTQ-ZWKOTPCHSA-N 2 0 325.541 3.076 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378712 1367768935 /nfs/dbraw/zinc/76/89/35/1367768935.db2.gz XORXTLUNZKWNHO-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001110682905 1367925234 /nfs/dbraw/zinc/92/52/34/1367925234.db2.gz HVICFXZEPHZQFZ-NMLBUPMWSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765514 1367967511 /nfs/dbraw/zinc/96/75/11/1367967511.db2.gz BJBPQIOENGCDLF-KURKYZTESA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424560 1368026924 /nfs/dbraw/zinc/02/69/24/1368026924.db2.gz NEOYXNKMDTWWML-PMACEKPBSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001193600940 1368070293 /nfs/dbraw/zinc/07/02/93/1368070293.db2.gz OXTLEZNJFAVGFF-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001193610700 1368072767 /nfs/dbraw/zinc/07/27/67/1368072767.db2.gz PSUMOBOAIAWJHQ-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001193641022 1368081677 /nfs/dbraw/zinc/08/16/77/1368081677.db2.gz HDGDEDMZWCCEGQ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C)[NH+](CC)CC ZINC001111018156 1368143803 /nfs/dbraw/zinc/14/38/03/1368143803.db2.gz LKGYZOMYKIWPKK-MKXGPGLRSA-N 2 0 337.552 3.265 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028933 1368145538 /nfs/dbraw/zinc/14/55/38/1368145538.db2.gz XNKJKEGHYFHCSQ-POMXJBLMSA-N 2 0 349.563 3.432 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081928 1368180227 /nfs/dbraw/zinc/18/02/27/1368180227.db2.gz ZDHILVMVQLCINL-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001111233710 1368209449 /nfs/dbraw/zinc/20/94/49/1368209449.db2.gz VEJQIMXVOIADAT-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430833 1368260068 /nfs/dbraw/zinc/26/00/68/1368260068.db2.gz XWGSSMICIIISMF-GOSISDBHSA-N 2 0 349.544 3.047 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001111465990 1368311003 /nfs/dbraw/zinc/31/10/03/1368311003.db2.gz BGCKRKHJFNPPOC-QRVBRYPASA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459883 1368311380 /nfs/dbraw/zinc/31/13/80/1368311380.db2.gz JQFSJOYLEPYJKX-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494542 1368320747 /nfs/dbraw/zinc/32/07/47/1368320747.db2.gz VSIPNFRAXWUMKA-QRVBRYPASA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1)c1ccccc1 ZINC001195214465 1368402250 /nfs/dbraw/zinc/40/22/50/1368402250.db2.gz WVWDZRPISAJWFZ-MJGOQNOKSA-N 2 0 345.531 3.164 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CCC2)C3)CCCC1 ZINC001111821592 1368482219 /nfs/dbraw/zinc/48/22/19/1368482219.db2.gz XZSXYEUDZJFOCB-RXVVDRJESA-N 2 0 347.547 3.022 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871676 1368519233 /nfs/dbraw/zinc/51/92/33/1368519233.db2.gz FDOXKNVDOHJYMZ-WMDOEDGGSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155165 1368558696 /nfs/dbraw/zinc/55/86/96/1368558696.db2.gz LWXVSNULKADCDD-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947616 1368570159 /nfs/dbraw/zinc/57/01/59/1368570159.db2.gz RPNUYXFBHNPCOP-HOHWPDKRSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196423489 1368613326 /nfs/dbraw/zinc/61/33/26/1368613326.db2.gz LZDFHAJBXTXXPU-PLNGDYQASA-N 2 0 340.471 3.229 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001197141674 1368753726 /nfs/dbraw/zinc/75/37/26/1368753726.db2.gz MAOSWAIWTMHCBL-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401370 1368825633 /nfs/dbraw/zinc/82/56/33/1368825633.db2.gz AGGFCAUJRTZHKN-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530552 1368916056 /nfs/dbraw/zinc/91/60/56/1368916056.db2.gz ZUAMYBKDPRKWFJ-RXVVDRJESA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112568122 1368930598 /nfs/dbraw/zinc/93/05/98/1368930598.db2.gz YPUVCLBRQTUVFE-QGELVWPYSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198229839 1368984299 /nfs/dbraw/zinc/98/42/99/1368984299.db2.gz PLWOWLSPGSHOIW-IBGZPJMESA-N 2 0 343.515 3.158 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198244308 1368988085 /nfs/dbraw/zinc/98/80/85/1368988085.db2.gz WPRZFRWYYWVIDI-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112855280 1369049360 /nfs/dbraw/zinc/04/93/60/1369049360.db2.gz QHPTXJFXKRNCLL-LLHWWHOWSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186604916 1387984185 /nfs/dbraw/zinc/98/41/85/1387984185.db2.gz IFDHVPAYBXGUDH-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186605930 1387985144 /nfs/dbraw/zinc/98/51/44/1387985144.db2.gz WFHMZIDEPLGWDN-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186605967 1387985598 /nfs/dbraw/zinc/98/55/98/1387985598.db2.gz XJIJKFUWJRJKEX-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200578132 1369393745 /nfs/dbraw/zinc/39/37/45/1369393745.db2.gz MOXIIMRYOZXZSB-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@@H](C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1)n1ccnc1 ZINC001201182871 1369491658 /nfs/dbraw/zinc/49/16/58/1369491658.db2.gz OPOCPSFXZHGJNE-TVPLGVNVSA-N 2 0 346.519 3.097 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201229894 1369500359 /nfs/dbraw/zinc/50/03/59/1369500359.db2.gz HNTSEZDECGBOIB-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC001201397237 1369536399 /nfs/dbraw/zinc/53/63/99/1369536399.db2.gz VEVNDVRLCYDYTB-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201505527 1369558375 /nfs/dbraw/zinc/55/83/75/1369558375.db2.gz ZVNNBWQXWZZRPF-PKOBYXMFSA-N 2 0 331.504 3.183 20 0 EGADRP Cc1ccc2sc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)nc2c1 ZINC001201648653 1369596366 /nfs/dbraw/zinc/59/63/66/1369596366.db2.gz LGGMWCHWCMBMKG-UHFFFAOYSA-N 2 0 339.468 3.495 20 0 EGADRP COc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1 ZINC001201664455 1369599972 /nfs/dbraw/zinc/59/99/72/1369599972.db2.gz OFZDVVVJZUCBHA-UHFFFAOYSA-N 2 0 341.455 3.105 20 0 EGADRP Cc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c2cccnc12 ZINC001201666453 1369601518 /nfs/dbraw/zinc/60/15/18/1369601518.db2.gz UCSYRDXFRBAXRE-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP CCCCC[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001201735017 1369613802 /nfs/dbraw/zinc/61/38/02/1369613802.db2.gz MNMFZBQYFIMHKT-UHFFFAOYSA-N 2 0 331.504 3.186 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201818570 1369627963 /nfs/dbraw/zinc/62/79/63/1369627963.db2.gz PWVFRDULSKIQFY-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202145016 1369701369 /nfs/dbraw/zinc/70/13/69/1369701369.db2.gz PFHJETKOJDLILM-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156539 1369702714 /nfs/dbraw/zinc/70/27/14/1369702714.db2.gz GROBPDXFFISIDJ-FQEVSTJZSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CC3CCCC3)CC[C@@H]21 ZINC001202159462 1369703388 /nfs/dbraw/zinc/70/33/88/1369703388.db2.gz AZKUPPGMGAOQQE-AABGKKOBSA-N 2 0 330.520 3.247 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCC(F)(F)F)CC2 ZINC001202319404 1369737313 /nfs/dbraw/zinc/73/73/13/1369737313.db2.gz QATKXSZXLVRDFO-AWEZNQCLSA-N 2 0 346.393 3.287 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1)[NH+](CC)CC ZINC001202472820 1369783219 /nfs/dbraw/zinc/78/32/19/1369783219.db2.gz DJQSSRAVHMDAQN-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001202486483 1369786854 /nfs/dbraw/zinc/78/68/54/1369786854.db2.gz NSVRAEWKDWDTDP-OGWHTMIXSA-N 2 0 334.529 3.317 20 0 EGADRP C(OC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCC1)C2)C1CC1 ZINC001202723173 1369866658 /nfs/dbraw/zinc/86/66/58/1369866658.db2.gz ZKTUCTWJAUXASS-SFTDATJTSA-N 2 0 332.532 3.247 20 0 EGADRP C(OC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCC1)C2)C1CC1 ZINC001202723171 1369866835 /nfs/dbraw/zinc/86/68/35/1369866835.db2.gz ZKTUCTWJAUXASS-RTWAWAEBSA-N 2 0 332.532 3.247 20 0 EGADRP C[C@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC001202764807 1369883871 /nfs/dbraw/zinc/88/38/71/1369883871.db2.gz PDMFOBWWFLSEAB-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001186982034 1388035046 /nfs/dbraw/zinc/03/50/46/1388035046.db2.gz WJVSTQVLETTXNO-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930252 1369929214 /nfs/dbraw/zinc/92/92/14/1369929214.db2.gz SLCZMSFRVJOQTN-DLBZAZTESA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C23CCC3)CCC1 ZINC001203030561 1369960689 /nfs/dbraw/zinc/96/06/89/1369960689.db2.gz ZRNFYNRTIYSOPZ-IAGOWNOFSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1cncc(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001203174806 1370009634 /nfs/dbraw/zinc/00/96/34/1370009634.db2.gz HBUOEYOYQKPEFR-UYWIDEMCSA-N 2 0 338.499 3.180 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH2+]CCC(C)C)CC1)c1ccccc1 ZINC001203313145 1370078157 /nfs/dbraw/zinc/07/81/57/1370078157.db2.gz MHDSWKSWIWMPDF-FQEVSTJZSA-N 2 0 345.531 3.306 20 0 EGADRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4Cl)C[C@H]3C2)cn1 ZINC001203381998 1370106680 /nfs/dbraw/zinc/10/66/80/1370106680.db2.gz OPKCEZLDKJCTPG-SJLPKXTDSA-N 2 0 344.890 3.027 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417715 1370117968 /nfs/dbraw/zinc/11/79/68/1370117968.db2.gz BMOUQZYJKKPGEN-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428235 1370122093 /nfs/dbraw/zinc/12/20/93/1370122093.db2.gz XFJXBUVXXACDHY-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203624815 1370191746 /nfs/dbraw/zinc/19/17/46/1370191746.db2.gz SPWWZVULCXZTRX-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203642789 1370198715 /nfs/dbraw/zinc/19/87/15/1370198715.db2.gz YUBHWXSUAYJMHZ-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C)C2 ZINC001203700626 1370225970 /nfs/dbraw/zinc/22/59/70/1370225970.db2.gz GVWITKXVIANEGW-SFTDATJTSA-N 2 0 328.500 3.175 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203741520 1370245176 /nfs/dbraw/zinc/24/51/76/1370245176.db2.gz HDVRBXCCJWGTGV-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770669 1370258104 /nfs/dbraw/zinc/25/81/04/1370258104.db2.gz HVMGVSZYCOCORG-FKDQEEMOSA-N 2 0 347.547 3.236 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770668 1370258173 /nfs/dbraw/zinc/25/81/73/1370258173.db2.gz HVMGVSZYCOCORG-DUFJLWIISA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203773298 1370258589 /nfs/dbraw/zinc/25/85/89/1370258589.db2.gz VDMUYZRXWOVUJZ-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001203904527 1370308324 /nfs/dbraw/zinc/30/83/24/1370308324.db2.gz ZMOMVDNLQGOPCK-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001203904480 1370308359 /nfs/dbraw/zinc/30/83/59/1370308359.db2.gz XTQCHNXEUDKPCT-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(=O)Nc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1 ZINC001203928113 1370318226 /nfs/dbraw/zinc/31/82/26/1370318226.db2.gz YBGNFWHGZKNXBG-UHFFFAOYSA-N 2 0 329.488 3.199 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204062910 1370365128 /nfs/dbraw/zinc/36/51/28/1370365128.db2.gz XQIZWUTZFFQAOO-UHFFFAOYSA-N 2 0 337.552 3.413 20 0 EGADRP CCC[N@H+](CC)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001204611485 1370529767 /nfs/dbraw/zinc/52/97/67/1370529767.db2.gz NYQLQMXNVROLCO-UHFFFAOYSA-N 2 0 340.309 3.091 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC001115544853 1370541788 /nfs/dbraw/zinc/54/17/88/1370541788.db2.gz FIHVAGMBVDQDDC-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCCC1 ZINC001115563417 1370562743 /nfs/dbraw/zinc/56/27/43/1370562743.db2.gz UDZKJOQUPHOWSH-DLBZAZTESA-N 2 0 341.515 3.018 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115563354 1370563167 /nfs/dbraw/zinc/56/31/67/1370563167.db2.gz SDADRDMQWROZID-DLBZAZTESA-N 2 0 341.515 3.018 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)CCC1 ZINC001115571827 1370574378 /nfs/dbraw/zinc/57/43/78/1370574378.db2.gz QKIJVIYQUGOAPI-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115579254 1370582946 /nfs/dbraw/zinc/58/29/46/1370582946.db2.gz DTYMXUOIKAYLSJ-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115579281 1370582974 /nfs/dbraw/zinc/58/29/74/1370582974.db2.gz GKHKZXJTQDJULR-JCSUNJAGSA-N 2 0 341.927 3.022 20 0 EGADRP CC(C)(C)C1CC[NH+](Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001205164259 1370667431 /nfs/dbraw/zinc/66/74/31/1370667431.db2.gz BSQBUSOEFIHUJD-UHFFFAOYSA-N 2 0 329.532 3.350 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC3CCCC3)CCCCC2)CC[N@@H+]1C ZINC001115692233 1370673806 /nfs/dbraw/zinc/67/38/06/1370673806.db2.gz LBHXUYPUINFGHW-HKUYNNGSSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242588 1370692875 /nfs/dbraw/zinc/69/28/75/1370692875.db2.gz RYYAUUDSEIWWRW-SFFCAUCYSA-N 2 0 335.536 3.044 20 0 EGADRP COc1ccc(-c2ccc(OCCC[NH+](C)C)nc2)cc1C[NH+](C)C ZINC001205248503 1370694530 /nfs/dbraw/zinc/69/45/30/1370694530.db2.gz LGOOUMAJYOKEBG-UHFFFAOYSA-N 2 0 343.471 3.149 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC001205255072 1370697278 /nfs/dbraw/zinc/69/72/78/1370697278.db2.gz GAVAJZMGSVOTJD-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205281864 1370705017 /nfs/dbraw/zinc/70/50/17/1370705017.db2.gz ZAUXZBZYXOTYGE-FQEVSTJZSA-N 2 0 348.487 3.350 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205290367 1370707876 /nfs/dbraw/zinc/70/78/76/1370707876.db2.gz HOOXAEJQPKYWBH-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)C[C@H]1C[NH3+] ZINC001205304704 1370714806 /nfs/dbraw/zinc/71/48/06/1370714806.db2.gz PGIKLWQJVUOKFA-DGCLKSJQSA-N 2 0 336.277 3.347 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1)[NH+](C)C ZINC001115733080 1370716199 /nfs/dbraw/zinc/71/61/99/1370716199.db2.gz LFLWGDRSEPSCJY-SFHVURJKSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205317345 1370719099 /nfs/dbraw/zinc/71/90/99/1370719099.db2.gz OCLKKAXBSWDVHG-QFBILLFUSA-N 2 0 340.467 3.388 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)[NH+]1CCCCCC1 ZINC001115760755 1370744159 /nfs/dbraw/zinc/74/41/59/1370744159.db2.gz RWSQEIZBXMEDOF-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCCCC1 ZINC001115776415 1370759602 /nfs/dbraw/zinc/75/96/02/1370759602.db2.gz OXOXKPKZNQWAAR-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1)C1CC1 ZINC001205462361 1370763354 /nfs/dbraw/zinc/76/33/54/1370763354.db2.gz WASBXFICJRTHCN-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](CC)c2ccccc2)CC1)[NH+](C)C ZINC001205518699 1370778356 /nfs/dbraw/zinc/77/83/56/1370778356.db2.gz IGJHAMGLRYNLIH-VQTJNVASSA-N 2 0 345.531 3.306 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205519087 1370778573 /nfs/dbraw/zinc/77/85/73/1370778573.db2.gz UWDLMCVPXGJZMT-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)s2)cc1 ZINC001205559541 1370790948 /nfs/dbraw/zinc/79/09/48/1370790948.db2.gz RUCVDPJMHCRYNX-SFHVURJKSA-N 2 0 349.475 3.472 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001205558112 1370791540 /nfs/dbraw/zinc/79/15/40/1370791540.db2.gz BWUPJFUSEITQGQ-GOSISDBHSA-N 2 0 348.853 3.450 20 0 EGADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205578583 1370797841 /nfs/dbraw/zinc/79/78/41/1370797841.db2.gz GGENMCJHGOUNIX-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)CC[C@H]1C[NH3+] ZINC001205618020 1370812279 /nfs/dbraw/zinc/81/22/79/1370812279.db2.gz QPYUJABIFBZHES-RDJZCZTQSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccc(Oc3ncccn3)c2)CC[C@@H]1C[NH3+] ZINC001205618214 1370812845 /nfs/dbraw/zinc/81/28/45/1370812845.db2.gz STDUYXHXNXGFJY-DOTOQJQBSA-N 2 0 326.444 3.076 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205626843 1370816250 /nfs/dbraw/zinc/81/62/50/1370816250.db2.gz JTUHROFWWKDFEL-QWHCGFSZSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@@H]1C[NH3+] ZINC001205629538 1370817099 /nfs/dbraw/zinc/81/70/99/1370817099.db2.gz ZTIPMOFNOYVDAT-MAUKXSAKSA-N 2 0 332.488 3.449 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@@H]1C[NH3+] ZINC001205629537 1370817236 /nfs/dbraw/zinc/81/72/36/1370817236.db2.gz ZTIPMOFNOYVDAT-CRAIPNDOSA-N 2 0 332.488 3.449 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC[C@@H]1C[NH3+] ZINC001205652441 1370828985 /nfs/dbraw/zinc/82/89/85/1370828985.db2.gz PPYOFZIMUYPARK-VXGBXAGGSA-N 2 0 340.393 3.389 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC)c1Cl ZINC001205651205 1370829366 /nfs/dbraw/zinc/82/93/66/1370829366.db2.gz BBMFRANMXWINFS-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC001205660968 1370832892 /nfs/dbraw/zinc/83/28/92/1370832892.db2.gz QRNUPQXFPAJOAG-IBGZPJMESA-N 2 0 332.488 3.160 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001205681489 1370841169 /nfs/dbraw/zinc/84/11/69/1370841169.db2.gz KGRLDRYWJDIRGS-FQEVSTJZSA-N 2 0 344.430 3.294 20 0 EGADRP Cc1cccc(-c2ccc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)cn2)c1C ZINC001205726829 1370853390 /nfs/dbraw/zinc/85/33/90/1370853390.db2.gz YABSUNGSMCIHSL-OAQYLSRUSA-N 2 0 339.483 3.041 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001205725926 1370853796 /nfs/dbraw/zinc/85/37/96/1370853796.db2.gz NHQPNINJAGPGNS-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001116294433 1370880526 /nfs/dbraw/zinc/88/05/26/1370880526.db2.gz YJPBJRAZSMDQPR-NHCUHLMSSA-N 2 0 347.522 3.295 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC001326017508 1388101497 /nfs/dbraw/zinc/10/14/97/1388101497.db2.gz CLYDBBHUTDTKMF-SFHVURJKSA-N 2 0 331.504 3.045 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205924439 1370912729 /nfs/dbraw/zinc/91/27/29/1370912729.db2.gz SYWSFBCIUPKRDH-RHSMWYFYSA-N 2 0 329.488 3.472 20 0 EGADRP CCC1(CC)[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1OC ZINC001116475685 1370920681 /nfs/dbraw/zinc/92/06/81/1370920681.db2.gz CHSYBSJPKQJSKV-PMACEKPBSA-N 2 0 345.531 3.122 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC([C@@H](O)c3ccc(OC)cc3)CC2)CC1 ZINC001205975116 1370926657 /nfs/dbraw/zinc/92/66/57/1370926657.db2.gz XSAMWCFQOUQDJB-NRFANRHFSA-N 2 0 346.515 3.173 20 0 EGADRP C[C@@H]1C[N@H+](CCc2cccc(Br)c2)CCC[C@H]1C[NH3+] ZINC001205985355 1370929757 /nfs/dbraw/zinc/92/97/57/1370929757.db2.gz XWCKFFJLYMZYRP-HIFRSBDPSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@H]1C[N@H+](CCc2cccc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205985353 1370930048 /nfs/dbraw/zinc/93/00/48/1370930048.db2.gz XWCKFFJLYMZYRP-DZGCQCFKSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205995852 1370933126 /nfs/dbraw/zinc/93/31/26/1370933126.db2.gz RDDGTVKSKROMSQ-DGCLKSJQSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(Oc3ncccn3)cc2)CCC[C@H]1C[NH3+] ZINC001206005882 1370936473 /nfs/dbraw/zinc/93/64/73/1370936473.db2.gz ZDOKBKVDZIQKTF-RDJZCZTQSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@@H]1CN(Cc2cc(Cl)cnc2Br)CCC[C@@H]1C[NH3+] ZINC001206011209 1370937105 /nfs/dbraw/zinc/93/71/05/1370937105.db2.gz APXSCDZAJLLUOX-GHMZBOCLSA-N 2 0 346.700 3.304 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC[C@@H]1C[NH3+] ZINC001206022171 1370940482 /nfs/dbraw/zinc/94/04/82/1370940482.db2.gz BLMFSDBKUZDVEL-CHWSQXEVSA-N 2 0 333.863 3.401 20 0 EGADRP CC(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206023438 1370941011 /nfs/dbraw/zinc/94/10/11/1370941011.db2.gz QAGTUGAOMKZRKW-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206028246 1370943480 /nfs/dbraw/zinc/94/34/80/1370943480.db2.gz XXTJWFSHKLDCPS-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206057573 1370950612 /nfs/dbraw/zinc/95/06/12/1370950612.db2.gz XQKSGCXLYDZNFJ-AATRIKPKSA-N 2 0 347.503 3.139 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001206074194 1370954612 /nfs/dbraw/zinc/95/46/12/1370954612.db2.gz LRUJXRWHUBMZAF-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206175795 1370981157 /nfs/dbraw/zinc/98/11/57/1370981157.db2.gz CLNAPKWGFOOKTK-IEBWSBKVSA-N 2 0 339.568 3.083 20 0 EGADRP Cn1cc(-c2ccc(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2)cn1 ZINC001116877069 1370992903 /nfs/dbraw/zinc/99/29/03/1370992903.db2.gz HXUOOEKZWNJYGA-UHFFFAOYSA-N 2 0 326.488 3.251 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206211296 1370993967 /nfs/dbraw/zinc/99/39/67/1370993967.db2.gz NBURDAGLGQNPTR-MOPGFXCFSA-N 2 0 329.419 3.018 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001206245387 1371001925 /nfs/dbraw/zinc/00/19/25/1371001925.db2.gz HTDORXNJAWTPKN-SFHVURJKSA-N 2 0 325.541 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206274668 1371010036 /nfs/dbraw/zinc/01/00/36/1371010036.db2.gz LFGUZNAMJQPFFW-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1)CC(C)(C)C ZINC001206300872 1371014899 /nfs/dbraw/zinc/01/48/99/1371014899.db2.gz FMVCEEUSFYWGEB-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP C[N@H+](CC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1)CC(C)(C)C ZINC001206301268 1371015319 /nfs/dbraw/zinc/01/53/19/1371015319.db2.gz MAWGDHBZMYOTML-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206324400 1371022796 /nfs/dbraw/zinc/02/27/96/1371022796.db2.gz AMRAVCGORXXIHH-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206548949 1371090456 /nfs/dbraw/zinc/09/04/56/1371090456.db2.gz SJGZXBOOOXTILB-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641563 1371116399 /nfs/dbraw/zinc/11/63/99/1371116399.db2.gz YQPMXBLGCXJAQJ-OAHLLOKOSA-N 2 0 343.471 3.214 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001206653737 1371121665 /nfs/dbraw/zinc/12/16/65/1371121665.db2.gz OTENHLPEIYRHKE-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001206653609 1371121782 /nfs/dbraw/zinc/12/17/82/1371121782.db2.gz ILPQLAJEGJBXGT-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC[NH2+]C1 ZINC001118216338 1371148106 /nfs/dbraw/zinc/14/81/06/1371148106.db2.gz GHYWTOJRKMDTDS-OXJNMPFZSA-N 2 0 329.488 3.247 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1OC(F)(F)F ZINC001206769665 1371159951 /nfs/dbraw/zinc/15/99/51/1371159951.db2.gz PECFPVLADIOAPY-AAEUAGOBSA-N 2 0 332.366 3.153 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871215 1371198169 /nfs/dbraw/zinc/19/81/69/1371198169.db2.gz CJIUXYFFIUMVBY-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001206889600 1371209592 /nfs/dbraw/zinc/20/95/92/1371209592.db2.gz ZJSMFZASOMQWDK-SFHVURJKSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206890233 1371209994 /nfs/dbraw/zinc/20/99/94/1371209994.db2.gz HLGFXHLPRXTAGJ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP O=c1[nH]cccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207010856 1371265983 /nfs/dbraw/zinc/26/59/83/1371265983.db2.gz YMBUJEGSLMEPAF-NRFANRHFSA-N 2 0 337.467 3.275 20 0 EGADRP Fc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001207023398 1371270254 /nfs/dbraw/zinc/27/02/54/1371270254.db2.gz PYUHEEBZFPUQDF-UHFFFAOYSA-N 2 0 329.419 3.302 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC001326201911 1388126952 /nfs/dbraw/zinc/12/69/52/1388126952.db2.gz LQTWHLPHPIIPJO-WOJBJXKFSA-N 2 0 338.499 3.299 20 0 EGADRP Cc1cc(N2CCN(CC(C)(C)C[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC001207275114 1371347407 /nfs/dbraw/zinc/34/74/07/1371347407.db2.gz KBOWIHSVZAIPSU-UHFFFAOYSA-N 2 0 340.515 3.253 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001207282184 1371350458 /nfs/dbraw/zinc/35/04/58/1371350458.db2.gz NNXBXMDHKWTQSH-UHFFFAOYSA-N 3 0 333.520 3.155 20 0 EGADRP CC(C)(C)N1CC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001119524148 1371361924 /nfs/dbraw/zinc/36/19/24/1371361924.db2.gz DTJJZJSULFEVKY-GOSISDBHSA-N 2 0 329.488 3.136 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435226 1371395659 /nfs/dbraw/zinc/39/56/59/1371395659.db2.gz KNTMNISGOGWXOQ-YSIASYRMSA-N 2 0 347.572 3.280 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207465730 1371402674 /nfs/dbraw/zinc/40/26/74/1371402674.db2.gz ZHVVFRDXRTWZAU-SFHVURJKSA-N 2 0 347.503 3.148 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001207488347 1371411453 /nfs/dbraw/zinc/41/14/53/1371411453.db2.gz ISMPRWWHMVTZQL-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207488707 1371412033 /nfs/dbraw/zinc/41/20/33/1371412033.db2.gz PENRITSNWSMKLL-KRWDZBQOSA-N 2 0 333.495 3.236 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001207488692 1371412135 /nfs/dbraw/zinc/41/21/35/1371412135.db2.gz OTDXISFHASBPPS-IRXDYDNUSA-N 2 0 333.907 3.335 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543040 1371430223 /nfs/dbraw/zinc/43/02/23/1371430223.db2.gz BWSSLCAQGAXWRE-BHIYHBOVSA-N 2 0 343.515 3.059 20 0 EGADRP CCCN(C(=O)C[NH2+]C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001119992691 1371446119 /nfs/dbraw/zinc/44/61/19/1371446119.db2.gz RTCRJIUMKPKEGB-UHFFFAOYSA-N 2 0 345.531 3.278 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001119994037 1371447139 /nfs/dbraw/zinc/44/71/39/1371447139.db2.gz ZYKCCULMRFSHTI-UHFFFAOYSA-N 2 0 343.531 3.267 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616815 1371453139 /nfs/dbraw/zinc/45/31/39/1371453139.db2.gz FXUXDQPMMUMDAZ-IOIJZZRGSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)C1 ZINC001120010424 1371454363 /nfs/dbraw/zinc/45/43/63/1371454363.db2.gz RBJITNWDRPBAGZ-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120033248 1371463907 /nfs/dbraw/zinc/46/39/07/1371463907.db2.gz ZQQZVMARJRLYCC-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3csc(C(F)(F)F)n3)C[C@H]2C1 ZINC001120070893 1371477728 /nfs/dbraw/zinc/47/77/28/1371477728.db2.gz CTPNJFKMHFMGJD-DMDPSCGWSA-N 2 0 333.423 3.324 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1C)[NH+](C)C ZINC001207697892 1371478270 /nfs/dbraw/zinc/47/82/70/1371478270.db2.gz LGMCLSQHDUJNRL-BHIYHBOVSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(NCC1([NH2+]CC2CCCC2)CCCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001120074451 1371478802 /nfs/dbraw/zinc/47/88/02/1371478802.db2.gz HHYSHKOEDSYPES-FQEVSTJZSA-N 2 0 347.547 3.071 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001207750269 1371493745 /nfs/dbraw/zinc/49/37/45/1371493745.db2.gz OAPUFRXIGREYQV-IIDMSEBBSA-N 2 0 349.494 3.054 20 0 EGADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCC2CCCCC2)CCCCC1 ZINC001120140843 1371494463 /nfs/dbraw/zinc/49/44/63/1371494463.db2.gz NHIRNIWYIZOALT-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)[NH+]1CCCCC1 ZINC001120208213 1371504856 /nfs/dbraw/zinc/50/48/56/1371504856.db2.gz VTZZAAQDTWIWJI-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)CCCC[NH+]2CCCC2)CCCCC1 ZINC001120239866 1371511267 /nfs/dbraw/zinc/51/12/67/1371511267.db2.gz IEVSPHQPYCYXLI-UHFFFAOYSA-N 2 0 337.552 3.461 20 0 EGADRP CC(C)c1ccc(C[C@H](C)C[N@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001207936227 1371542798 /nfs/dbraw/zinc/54/27/98/1371542798.db2.gz CXNXVEUCLIBOPP-IBGZPJMESA-N 2 0 331.548 3.168 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001120401445 1371561928 /nfs/dbraw/zinc/56/19/28/1371561928.db2.gz JEGCBFGMBKIZPQ-RBUKOAKNSA-N 2 0 349.563 3.386 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001120430967 1371574388 /nfs/dbraw/zinc/57/43/88/1371574388.db2.gz PCNGZMCWVWSGJX-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001120432292 1371575258 /nfs/dbraw/zinc/57/52/58/1371575258.db2.gz ZPQUYPSEKNJZBV-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001120432118 1371575499 /nfs/dbraw/zinc/57/54/99/1371575499.db2.gz YGFVPTYADYCMJD-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](CCCC1CCCC1)CC2 ZINC001208088283 1371593082 /nfs/dbraw/zinc/59/30/82/1371593082.db2.gz BYMYXUMFEWWABA-UHFFFAOYSA-N 2 0 330.520 3.307 20 0 EGADRP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001208109858 1371597378 /nfs/dbraw/zinc/59/73/78/1371597378.db2.gz UBNWAUSCYOFEOE-HOTGVXAUSA-N 2 0 339.524 3.048 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001208110730 1371597945 /nfs/dbraw/zinc/59/79/45/1371597945.db2.gz FSDWURNUMHRACE-RBUKOAKNSA-N 2 0 344.499 3.345 20 0 EGADRP CCOC(=O)CN(CC1(C)CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC001208112240 1371598889 /nfs/dbraw/zinc/59/88/89/1371598889.db2.gz UKABRSVBSQMSGF-QGZVFWFLSA-N 2 0 332.488 3.345 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208114448 1371599792 /nfs/dbraw/zinc/59/97/92/1371599792.db2.gz XJDRAUJRKFIHEJ-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP Cc1ccnc(OC2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)c1 ZINC001208187877 1371627600 /nfs/dbraw/zinc/62/76/00/1371627600.db2.gz CIZPEPOVTDWUIT-UHFFFAOYSA-N 2 0 331.504 3.355 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+](CC3(c4ccccc4)CCOCC3)C[C@H]2C1 ZINC001208233416 1371671677 /nfs/dbraw/zinc/67/16/77/1371671677.db2.gz GVTORGZSYIUOSI-RTBURBONSA-N 2 0 328.500 3.008 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331056 1371720328 /nfs/dbraw/zinc/72/03/28/1371720328.db2.gz KDEQJHYOPFFFFM-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331193 1371720572 /nfs/dbraw/zinc/72/05/72/1371720572.db2.gz NIFXRQOLEOCABB-NHQAVIFJSA-N 2 0 349.563 3.291 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208363371 1371736617 /nfs/dbraw/zinc/73/66/17/1371736617.db2.gz YEDKUWRIHGGELF-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208363370 1371737274 /nfs/dbraw/zinc/73/72/74/1371737274.db2.gz YEDKUWRIHGGELF-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474165 1371781380 /nfs/dbraw/zinc/78/13/80/1371781380.db2.gz JIYNBMYIBFARLC-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@@H](CNc1nccnc1C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC001120896949 1371799537 /nfs/dbraw/zinc/79/95/37/1371799537.db2.gz UUOMFSQPPBFNAB-RDJZCZTQSA-N 2 0 327.476 3.113 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCN(CC3CC3)c3nc(C)ccc3C2)CC1 ZINC001208600400 1371836572 /nfs/dbraw/zinc/83/65/72/1371836572.db2.gz QWOIYZKJTAOXRT-UHFFFAOYSA-N 2 0 342.531 3.154 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)C1 ZINC001208605596 1371837831 /nfs/dbraw/zinc/83/78/31/1371837831.db2.gz CEIATXWFBLXJME-FDFHNCONSA-N 2 0 342.527 3.440 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[C@]3(CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208617446 1371842568 /nfs/dbraw/zinc/84/25/68/1371842568.db2.gz PGGBWIMSRVKSEQ-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CC[C@]3(CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208617450 1371843467 /nfs/dbraw/zinc/84/34/67/1371843467.db2.gz PGGBWIMSRVKSEQ-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208748264 1371882765 /nfs/dbraw/zinc/88/27/65/1371882765.db2.gz HGHBYBXELORQBE-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759190 1371885802 /nfs/dbraw/zinc/88/58/02/1371885802.db2.gz RONAJHQWPRYCCU-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208769881 1371890599 /nfs/dbraw/zinc/89/05/99/1371890599.db2.gz MQNHOXKFJQNCRS-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@H]([NH2+]CC3CCCCC3)C2)CCCC1 ZINC001208771344 1371890988 /nfs/dbraw/zinc/89/09/88/1371890988.db2.gz ZJRUEJATUGMIPF-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121260632 1371912313 /nfs/dbraw/zinc/91/23/13/1371912313.db2.gz IYJNEJKUVQEXMN-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919785 1371945378 /nfs/dbraw/zinc/94/53/78/1371945378.db2.gz WHZXYFYYHUCEFY-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931538 1371950732 /nfs/dbraw/zinc/95/07/32/1371950732.db2.gz ABESVQPAUCXJJQ-OAQYLSRUSA-N 3 0 329.532 3.172 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+]4CCCC[C@H]4C3)C2)cc1 ZINC001208936201 1371951396 /nfs/dbraw/zinc/95/13/96/1371951396.db2.gz MMPSSTAXOXICBK-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001121368224 1371951688 /nfs/dbraw/zinc/95/16/88/1371951688.db2.gz MIBIBIODAJFYFO-UHFFFAOYSA-N 2 0 340.471 3.011 20 0 EGADRP COC(=O)C1(C)CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208935425 1371951836 /nfs/dbraw/zinc/95/18/36/1371951836.db2.gz JDIRVXFKDWMTGS-LJQANCHMSA-N 2 0 344.499 3.174 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208940673 1371953527 /nfs/dbraw/zinc/95/35/27/1371953527.db2.gz VEYIDFQXTHRUHP-NRFANRHFSA-N 3 0 341.543 3.316 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC001208952542 1371960814 /nfs/dbraw/zinc/96/08/14/1371960814.db2.gz KJOFGZJTTMGSMW-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001121474859 1371986208 /nfs/dbraw/zinc/98/62/08/1371986208.db2.gz MRMRPMHJCQVDLN-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001121653842 1372037237 /nfs/dbraw/zinc/03/72/37/1372037237.db2.gz MRYQTMBUPMAMIE-VOTSOKGWSA-N 2 0 347.547 3.092 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121707192 1372053869 /nfs/dbraw/zinc/05/38/69/1372053869.db2.gz DLEPXVBRLJQKGD-QAELIBMJSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001209316296 1372066499 /nfs/dbraw/zinc/06/64/99/1372066499.db2.gz ZUJWTMLYWBEZCW-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772503 1372076510 /nfs/dbraw/zinc/07/65/10/1372076510.db2.gz BTOVSTOVSWVGRC-PPDYRMFTSA-N 2 0 349.563 3.027 20 0 EGADRP CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)CCn1ccnc1 ZINC001209358507 1372076702 /nfs/dbraw/zinc/07/67/02/1372076702.db2.gz APXOOVKMIJTMKM-UHFFFAOYSA-N 2 0 338.496 3.290 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2)[NH+](C)C ZINC001121798041 1372084157 /nfs/dbraw/zinc/08/41/57/1372084157.db2.gz FSWMQUMBOQTPIE-FCOWATRHSA-N 2 0 347.547 3.234 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121853176 1372102427 /nfs/dbraw/zinc/10/24/27/1372102427.db2.gz APZXJLHVYFLPCE-PPDYRMFTSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854711 1372104091 /nfs/dbraw/zinc/10/40/91/1372104091.db2.gz RACUUUJLOYZUQZ-UFQJCFOOSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1CCC[NH+]1CCCCC1 ZINC001209447745 1372108381 /nfs/dbraw/zinc/10/83/81/1372108381.db2.gz FTSCUYVWDRKDTF-KRWDZBQOSA-N 2 0 339.524 3.194 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCN(CCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001209453712 1372110263 /nfs/dbraw/zinc/11/02/63/1372110263.db2.gz KNAWFMVTULEBIR-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478526 1372117527 /nfs/dbraw/zinc/11/75/27/1372117527.db2.gz VNHFYSLSABGNTR-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001326408791 1388180280 /nfs/dbraw/zinc/18/02/80/1388180280.db2.gz OGHAVDMKTUFNHG-IBGZPJMESA-N 2 0 331.504 3.051 20 0 EGADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001121916357 1372122359 /nfs/dbraw/zinc/12/23/59/1372122359.db2.gz WPKHWWLOLPTFRN-NLWGTHIKSA-N 2 0 337.552 3.111 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209614443 1372151862 /nfs/dbraw/zinc/15/18/62/1372151862.db2.gz OZVRGELEXJLCEA-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055377 1372163741 /nfs/dbraw/zinc/16/37/41/1372163741.db2.gz BPQCIVVTAKCUCG-IPHBXJNRSA-N 2 0 349.563 3.027 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1)CC(C)(C)C ZINC001209688975 1372170263 /nfs/dbraw/zinc/17/02/63/1372170263.db2.gz IBPJLJWQRAWVIQ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cnccn2)CC3)c1 ZINC001209782040 1372195665 /nfs/dbraw/zinc/19/56/65/1372195665.db2.gz NHYAOZQDBGUECY-UHFFFAOYSA-N 2 0 342.512 3.416 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231092 1372206791 /nfs/dbraw/zinc/20/67/91/1372206791.db2.gz CKNMPIDJIZXZCF-SQPQUVMCSA-N 2 0 347.547 3.233 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231093 1372207127 /nfs/dbraw/zinc/20/71/27/1372207127.db2.gz CKNMPIDJIZXZCF-SZJZPZIFSA-N 2 0 347.547 3.233 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122237740 1372208709 /nfs/dbraw/zinc/20/87/09/1372208709.db2.gz MMDCQMCVJHAVBP-ARJAWSKDSA-N 2 0 347.547 3.236 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242763 1372209898 /nfs/dbraw/zinc/20/98/98/1372209898.db2.gz NZRMEROHESAMJY-HXLZZXBHSA-N 2 0 347.547 3.234 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC001122344656 1372232570 /nfs/dbraw/zinc/23/25/70/1372232570.db2.gz KWVMWQBFIWBHAB-IBGZPJMESA-N 2 0 341.455 3.046 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001187921343 1388190555 /nfs/dbraw/zinc/19/05/55/1388190555.db2.gz HFDRDGLKHNVJIW-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP Cc1nc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2s1 ZINC001210266646 1372310100 /nfs/dbraw/zinc/31/01/00/1372310100.db2.gz OEUYAMZRFHDUTC-UHFFFAOYSA-N 2 0 325.441 3.153 20 0 EGADRP CC(C)Oc1c(F)cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1F ZINC001210270936 1372311757 /nfs/dbraw/zinc/31/17/57/1372311757.db2.gz KGKLCJXDEATNJD-UHFFFAOYSA-N 2 0 348.397 3.300 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001187921468 1388190234 /nfs/dbraw/zinc/19/02/34/1388190234.db2.gz JBXUAGKBGWYZIO-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210492443 1372366006 /nfs/dbraw/zinc/36/60/06/1372366006.db2.gz BIYOSSBCKBRCRY-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001211283770 1372520505 /nfs/dbraw/zinc/52/05/05/1372520505.db2.gz IYKLVKNHJVFDMG-OALUTQOASA-N 2 0 345.531 3.285 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001211284524 1372520691 /nfs/dbraw/zinc/52/06/91/1372520691.db2.gz MDKKWYLOIALULV-SUJSUNJESA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211311068 1372526127 /nfs/dbraw/zinc/52/61/27/1372526127.db2.gz YXEOHQANVULZJI-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211675108 1372601107 /nfs/dbraw/zinc/60/11/07/1372601107.db2.gz MKFYHFOXIGXILO-XUVXKRRUSA-N 2 0 345.531 3.101 20 0 EGADRP C[N@@H+]1CCC[C@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)C1 ZINC001211877725 1372627071 /nfs/dbraw/zinc/62/70/71/1372627071.db2.gz YIRWFYRICSAJQW-OIQJVACTSA-N 2 0 339.443 3.007 20 0 EGADRP Fc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)c2ccccc12 ZINC001212318234 1372685852 /nfs/dbraw/zinc/68/58/52/1372685852.db2.gz UWGBOVNGQFKNRM-UHFFFAOYSA-N 2 0 340.402 3.118 20 0 EGADRP CC(C)(C)Oc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)cc1 ZINC001212339145 1372690132 /nfs/dbraw/zinc/69/01/32/1372690132.db2.gz UYFUWQYMCUXZQI-SFHVURJKSA-N 2 0 332.448 3.217 20 0 EGADRP C[NH+](C)CCOc1cccc(Nc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001212804833 1372776448 /nfs/dbraw/zinc/77/64/48/1372776448.db2.gz DRVVAHHKDYQVKP-UHFFFAOYSA-N 2 0 326.444 3.366 20 0 EGADRP COCc1ccc(C)c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001213573965 1372928424 /nfs/dbraw/zinc/92/84/24/1372928424.db2.gz OICKBQZHMLQYER-UHFFFAOYSA-N 2 0 326.444 3.032 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001326559382 1388239728 /nfs/dbraw/zinc/23/97/28/1388239728.db2.gz VEPCZMFZVJTJIS-IRJFHVNHSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001188124950 1388245386 /nfs/dbraw/zinc/24/53/86/1388245386.db2.gz HGSASISCBFNLRS-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001128552587 1373289717 /nfs/dbraw/zinc/28/97/17/1373289717.db2.gz RCHQESVCNPOVJI-UHFFFAOYSA-N 2 0 337.533 3.100 20 0 EGADRP Cc1ccc(-c2noc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)n2)nc1 ZINC001217044917 1373381982 /nfs/dbraw/zinc/38/19/82/1373381982.db2.gz WKFPLDHAZSNYQC-UHFFFAOYSA-N 2 0 349.438 3.030 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001129429501 1373383510 /nfs/dbraw/zinc/38/35/10/1373383510.db2.gz HGKAUMSBBPCYAZ-PXNSSMCTSA-N 2 0 343.515 3.169 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001130205588 1373474031 /nfs/dbraw/zinc/47/40/31/1373474031.db2.gz PWFAMUKBTDOWLC-MAUKXSAKSA-N 2 0 333.520 3.091 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205440 1388264092 /nfs/dbraw/zinc/26/40/92/1388264092.db2.gz LXOORDNYIDBJAX-OAOPFVHKSA-N 2 0 347.547 3.138 20 0 EGADRP c1ccc(-c2ccc(-c3nnc(C[NH2+]CC4CC[NH2+]CC4)o3)cc2)cc1 ZINC001217757693 1373498683 /nfs/dbraw/zinc/49/86/83/1373498683.db2.gz RAEGQTZPEBJQCH-UHFFFAOYSA-N 2 0 348.450 3.493 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@H]1OC[C@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217789598 1373500288 /nfs/dbraw/zinc/50/02/88/1373500288.db2.gz PWVHSGAMGDHDTF-QFUCXCTJSA-N 2 0 346.515 3.071 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC)c1ccc(Cl)cc1 ZINC001130427137 1373533999 /nfs/dbraw/zinc/53/39/99/1373533999.db2.gz JXCFUYVNCUYZCZ-MRXNPFEDSA-N 2 0 339.911 3.227 20 0 EGADRP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2C[NH2+]C[C@@H]2F)cc13 ZINC001218017367 1373539114 /nfs/dbraw/zinc/53/91/14/1373539114.db2.gz SVVVPLBMFDOTEA-KPACCLEDSA-N 2 0 344.474 3.064 20 0 EGADRP c1cnc2c(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218146543 1373569056 /nfs/dbraw/zinc/56/90/56/1373569056.db2.gz AYMKEUWQNJDFPY-LFUKPOHLSA-N 2 0 337.467 3.207 20 0 EGADRP c1cnc2c(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218326439 1373596922 /nfs/dbraw/zinc/59/69/22/1373596922.db2.gz PHBLVLLEVQEXAQ-ILZDJORESA-N 2 0 337.467 3.207 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218334735 1373599282 /nfs/dbraw/zinc/59/92/82/1373599282.db2.gz FSDVYHLESLUSLS-JXFKEZNVSA-N 2 0 337.467 3.017 20 0 EGADRP Cc1c(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)snc1-c1ccccc1 ZINC001218719850 1373647254 /nfs/dbraw/zinc/64/72/54/1373647254.db2.gz UKNBYCGEWHLZRO-HNNXBMFYSA-N 2 0 346.500 3.116 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188245792 1388274420 /nfs/dbraw/zinc/27/44/20/1388274420.db2.gz AXHCZCXAMRNEQS-OAOPFVHKSA-N 2 0 347.547 3.140 20 0 EGADRP CCCCOc1cccc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222401165 1373838056 /nfs/dbraw/zinc/83/80/56/1373838056.db2.gz SLDPSXQYCZNTPH-UHFFFAOYSA-N 2 0 332.488 3.068 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223928388 1375047691 /nfs/dbraw/zinc/04/76/91/1375047691.db2.gz BQLCKNNBJQCQFV-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001225542707 1375122501 /nfs/dbraw/zinc/12/25/01/1375122501.db2.gz MYBWGVFRYIVEIB-IRXDYDNUSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001225542082 1375122514 /nfs/dbraw/zinc/12/25/14/1375122514.db2.gz HHSPCGCEFCUGMI-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673187 1388359059 /nfs/dbraw/zinc/35/90/59/1388359059.db2.gz CUTIPSXRQCCLTJ-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107492 1375151335 /nfs/dbraw/zinc/15/13/35/1375151335.db2.gz ZMBNXLOKCJBLBX-HNGSOEQISA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CCCCCC1 ZINC001132106125 1375151359 /nfs/dbraw/zinc/15/13/59/1375151359.db2.gz QHCSVEQIIAEOBC-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132123458 1375158206 /nfs/dbraw/zinc/15/82/06/1375158206.db2.gz DUJWXBPGFNCGNN-WFRZBGSESA-N 2 0 347.547 3.188 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132129819 1375160845 /nfs/dbraw/zinc/16/08/45/1375160845.db2.gz YYFFLZSMRBQGFR-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CCC1CC1 ZINC001132141534 1375167787 /nfs/dbraw/zinc/16/77/87/1375167787.db2.gz RLHJSIUCUSRDEU-SJLPKXTDSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152971 1375173487 /nfs/dbraw/zinc/17/34/87/1375173487.db2.gz LSIQLIGIKMPCSJ-SJORKVTESA-N 2 0 325.541 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCC2)C1 ZINC001132153832 1375174433 /nfs/dbraw/zinc/17/44/33/1375174433.db2.gz UFMWOGJJMJBENV-AEFFLSMTSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207846 1375209970 /nfs/dbraw/zinc/20/99/70/1375209970.db2.gz XSPASZDSZLUYBO-ZWKOTPCHSA-N 2 0 337.552 3.410 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132269486 1375257530 /nfs/dbraw/zinc/25/75/30/1375257530.db2.gz KOEGCZANTSDIOC-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCCc1ccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132273146 1375258859 /nfs/dbraw/zinc/25/88/59/1375258859.db2.gz DLKSZKJRGNWTPR-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001226766308 1375329460 /nfs/dbraw/zinc/32/94/60/1375329460.db2.gz LSRMPZGYBVIYGD-IPMKNSEASA-N 2 0 335.536 3.233 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132376725 1375337939 /nfs/dbraw/zinc/33/79/39/1375337939.db2.gz PUKHENZMYFKYLN-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132376395 1375338039 /nfs/dbraw/zinc/33/80/39/1375338039.db2.gz MPPJSBHCVFPPGQ-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132376398 1375338936 /nfs/dbraw/zinc/33/89/36/1375338936.db2.gz MPPJSBHCVFPPGQ-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132411069 1375360116 /nfs/dbraw/zinc/36/01/16/1375360116.db2.gz SJZCXBYSWRLJTH-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132433042 1375377967 /nfs/dbraw/zinc/37/79/67/1375377967.db2.gz JRNHZGXOAFVWJC-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP Cc1ccccc1C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434007 1375378229 /nfs/dbraw/zinc/37/82/29/1375378229.db2.gz SOPAIXWDUPMWAD-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132432602 1375378683 /nfs/dbraw/zinc/37/86/83/1375378683.db2.gz FDLZSOUTMKIRLZ-ROUUACIJSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132435783 1375379984 /nfs/dbraw/zinc/37/99/84/1375379984.db2.gz GTKVANBBMYCVPZ-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132442349 1375386713 /nfs/dbraw/zinc/38/67/13/1375386713.db2.gz ZXJGRENRQDKPML-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001227150321 1375397676 /nfs/dbraw/zinc/39/76/76/1375397676.db2.gz ODRUJBWHVQIBPZ-RTBURBONSA-N 2 0 345.531 3.242 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227302234 1375418137 /nfs/dbraw/zinc/41/81/37/1375418137.db2.gz HHTREYWBJIMEBD-DUFJLWIISA-N 2 0 340.471 3.321 20 0 EGADRP Cc1cc(C)cc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517334 1375435743 /nfs/dbraw/zinc/43/57/43/1375435743.db2.gz BCPVOVDXSTZIGM-AZUAARDMSA-N 2 0 345.531 3.113 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132518869 1375436972 /nfs/dbraw/zinc/43/69/72/1375436972.db2.gz PMPMDNOQRWHHMY-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001132524440 1375440686 /nfs/dbraw/zinc/44/06/86/1375440686.db2.gz GZDNCHVNDVJCRG-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227876036 1375485853 /nfs/dbraw/zinc/48/58/53/1375485853.db2.gz DRYBWVDCEVDSKO-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001227986237 1375498157 /nfs/dbraw/zinc/49/81/57/1375498157.db2.gz BPGCZKFVFWJSER-RBUKOAKNSA-N 2 0 349.494 3.198 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001228559941 1375597973 /nfs/dbraw/zinc/59/79/73/1375597973.db2.gz JUUKCHVGDMWSFD-VOTSOKGWSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228623625 1375620002 /nfs/dbraw/zinc/62/00/02/1375620002.db2.gz GFQSZOSQIHJOSE-BTFXCVNISA-N 2 0 337.552 3.338 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001228623747 1375620187 /nfs/dbraw/zinc/62/01/87/1375620187.db2.gz JPFPIKBBZXUBBA-RTBURBONSA-N 2 0 349.563 3.482 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228624237 1375620288 /nfs/dbraw/zinc/62/02/88/1375620288.db2.gz UEUNDSIMWGZUQJ-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132887580 1375626050 /nfs/dbraw/zinc/62/60/50/1375626050.db2.gz GHQVZGQCZKWHNL-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001327129019 1388392656 /nfs/dbraw/zinc/39/26/56/1388392656.db2.gz FJOCODNKKUHHTF-PMACEKPBSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(NC(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001228889016 1375705758 /nfs/dbraw/zinc/70/57/58/1375705758.db2.gz PJMNMANHCXBGQS-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133069120 1375757053 /nfs/dbraw/zinc/75/70/53/1375757053.db2.gz OVKWYKIPBYQEEM-YZPMEYCISA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001229172058 1375780198 /nfs/dbraw/zinc/78/01/98/1375780198.db2.gz UZQYZGSUEWOWER-MJGOQNOKSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133120801 1375786453 /nfs/dbraw/zinc/78/64/53/1375786453.db2.gz BGROQGJPXMLWIJ-QZTJIDSGSA-N 2 0 337.552 3.005 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229616167 1375865912 /nfs/dbraw/zinc/86/59/12/1375865912.db2.gz ZNYVADWKWUAWMO-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C ZINC001229652646 1375872864 /nfs/dbraw/zinc/87/28/64/1375872864.db2.gz QPASTCLVZCGIFJ-QZTJIDSGSA-N 2 0 325.541 3.314 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001229800304 1375894931 /nfs/dbraw/zinc/89/49/31/1375894931.db2.gz DBIBCCHUEMPEOW-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133359586 1375943022 /nfs/dbraw/zinc/94/30/22/1375943022.db2.gz IDAQMYFFUSBENN-WOJBJXKFSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001230107478 1375944105 /nfs/dbraw/zinc/94/41/05/1375944105.db2.gz HBIRDFJVMKLXGD-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001230287140 1375986020 /nfs/dbraw/zinc/98/60/20/1375986020.db2.gz XEEAMHZKWQXJQF-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001230349098 1376005473 /nfs/dbraw/zinc/00/54/73/1376005473.db2.gz HPUZEWKSIFBJLM-AATRIKPKSA-N 2 0 343.515 3.299 20 0 EGADRP CC1CCC(C[NH+]2CCC(NC(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001230354671 1376007304 /nfs/dbraw/zinc/00/73/04/1376007304.db2.gz HCBBJZKCSQBICD-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1)[NH+](CC)CC ZINC001230598258 1376093227 /nfs/dbraw/zinc/09/32/27/1376093227.db2.gz JEHDFUDFDPQRLH-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C\CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230617511 1376103565 /nfs/dbraw/zinc/10/35/65/1376103565.db2.gz BQWSBTNTGUBKRZ-HCZHMGAMSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001230622800 1376105362 /nfs/dbraw/zinc/10/53/62/1376105362.db2.gz QWHLYBSVEJYSLI-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21)[NH+](CC)CC ZINC001133683947 1376153076 /nfs/dbraw/zinc/15/30/76/1376153076.db2.gz AWTMMHLGVOCTEQ-RTBURBONSA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1)[NH+](CC)CC ZINC001133685606 1376154703 /nfs/dbraw/zinc/15/47/03/1376154703.db2.gz XLXOOZTYKXURNH-IBGZPJMESA-N 2 0 333.520 3.136 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]CCC1CCCCCC1)[NH+](CC)CC ZINC001133690951 1376157295 /nfs/dbraw/zinc/15/72/95/1376157295.db2.gz XOIUBBVOEHVUFI-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC001327180505 1388427907 /nfs/dbraw/zinc/42/79/07/1388427907.db2.gz IBLJVEUCFYQHCG-HXUWFJFHSA-N 2 0 337.467 3.447 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@]1(O)C(F)(F)F ZINC001232012273 1376382372 /nfs/dbraw/zinc/38/23/72/1376382372.db2.gz XXUCKOKAKDZHQE-XHDPSFHLSA-N 2 0 327.350 3.088 20 0 EGADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001232012453 1376382804 /nfs/dbraw/zinc/38/28/04/1376382804.db2.gz IUBMSJSKCNFPRT-UHFFFAOYSA-N 2 0 344.459 3.394 20 0 EGADRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccccc3)cn2)CC1 ZINC001232363602 1376448782 /nfs/dbraw/zinc/44/87/82/1376448782.db2.gz HYSCNJJQJMGOJX-FQEVSTJZSA-N 2 0 336.483 3.171 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)c1sccc1C[NH+](C)C ZINC001134518997 1376575365 /nfs/dbraw/zinc/57/53/65/1376575365.db2.gz IVUXFKJFYUCSKK-WFMXKNRHSA-N 2 0 343.924 3.049 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134584012 1376608730 /nfs/dbraw/zinc/60/87/30/1376608730.db2.gz QJGIPLUWIXDDRF-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(Cl)o1 ZINC001233316874 1376611655 /nfs/dbraw/zinc/61/16/55/1376611655.db2.gz IUVXLFBRTUAUKB-UHFFFAOYSA-N 2 0 329.916 3.419 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612905 1376624390 /nfs/dbraw/zinc/62/43/90/1376624390.db2.gz QTFLIKCGTHDYFN-IRXDYDNUSA-N 2 0 335.536 3.234 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001134759017 1376703534 /nfs/dbraw/zinc/70/35/34/1376703534.db2.gz FGYDMAXOQLOHIE-APWZRJJASA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001134765959 1376710160 /nfs/dbraw/zinc/71/01/60/1376710160.db2.gz AYWLMICJZYZDBZ-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001134767312 1376710417 /nfs/dbraw/zinc/71/04/17/1376710417.db2.gz VOMAJRVNHPYVTR-RTBURBONSA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001134772776 1376711766 /nfs/dbraw/zinc/71/17/66/1376711766.db2.gz HLFNWPQMPGZAOY-JKSUJKDBSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784953 1376719030 /nfs/dbraw/zinc/71/90/30/1376719030.db2.gz YJFOCWOPJWDPEG-IRXDYDNUSA-N 2 0 348.535 3.217 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810396 1376737891 /nfs/dbraw/zinc/73/78/91/1376737891.db2.gz YGECVLZRLMWQHS-ZWOPJXCPSA-N 2 0 342.487 3.486 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134889306 1376769602 /nfs/dbraw/zinc/76/96/02/1376769602.db2.gz SEKITVXGLBNNIY-OKQSBHACSA-N 2 0 328.460 3.177 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCC(C)C)C[C@H]21)[NH+](CC)CC ZINC001189111372 1388461930 /nfs/dbraw/zinc/46/19/30/1388461930.db2.gz YYRAJDCKJXDOQV-GBESFXJTSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001134903330 1376778120 /nfs/dbraw/zinc/77/81/20/1376778120.db2.gz FQQYSGPJOYPIKZ-LJQANCHMSA-N 2 0 347.503 3.219 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994691 1376833939 /nfs/dbraw/zinc/83/39/39/1376833939.db2.gz VWYLBIJRNXCUKC-GJZGRUSLSA-N 2 0 328.460 3.011 20 0 EGADRP COc1cccc2[nH]cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC001235428992 1376869674 /nfs/dbraw/zinc/86/96/74/1376869674.db2.gz SJEUMFDTYZHYHJ-CVEARBPZSA-N 2 0 327.472 3.388 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081717 1376885169 /nfs/dbraw/zinc/88/51/69/1376885169.db2.gz QWVIRHBPEIQFFW-SJORKVTESA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135100696 1376897866 /nfs/dbraw/zinc/89/78/66/1376897866.db2.gz GERCETCTBIWMDH-MSOLQXFVSA-N 2 0 339.568 3.418 20 0 EGADRP [NH3+]CCN(CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC001235887005 1376911001 /nfs/dbraw/zinc/91/10/01/1376911001.db2.gz FYYOXSMSFGAMNO-CYBMUJFWSA-N 2 0 330.303 3.144 20 0 EGADRP c1csc([C@@H]2C[NH2+]CCN2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001236113777 1376933749 /nfs/dbraw/zinc/93/37/49/1376933749.db2.gz IUHDVKCXANUKMH-MOPGFXCFSA-N 2 0 341.524 3.217 20 0 EGADRP C[N@H+](CCCC[NH3+])Cc1cc2c(c(OCc3ccccc3)c1)OCO2 ZINC001236141056 1376936011 /nfs/dbraw/zinc/93/60/11/1376936011.db2.gz DVPQDBVRCKBXBU-UHFFFAOYSA-N 2 0 342.439 3.165 20 0 EGADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236181436 1376940140 /nfs/dbraw/zinc/94/01/40/1376940140.db2.gz JQJBTWSCZIFSPW-UHFFFAOYSA-N 2 0 332.451 3.150 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181495 1376954994 /nfs/dbraw/zinc/95/49/94/1376954994.db2.gz QFZHSNBYPAOLHA-NUQYTELCSA-N 2 0 337.552 3.480 20 0 EGADRP CCC[N@@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236843773 1376966958 /nfs/dbraw/zinc/96/69/58/1376966958.db2.gz QXFSTAOHXJTXDF-INIZCTEOSA-N 2 0 332.879 3.347 20 0 EGADRP C[C@]1(C[NH3+])CCCN(Cc2c[nH]c3cccc(Br)c23)C1 ZINC001237059370 1376974382 /nfs/dbraw/zinc/97/43/82/1376974382.db2.gz TWKLRJUFUWIBLQ-MRXNPFEDSA-N 2 0 336.277 3.491 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2cncc(C[NH+]3CCCC3)c2)cc1 ZINC001242152562 1377023091 /nfs/dbraw/zinc/02/30/91/1377023091.db2.gz LCUUIDVDGMJCKO-UHFFFAOYSA-N 2 0 325.456 3.285 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCC1CCCCC1 ZINC001135299766 1377027308 /nfs/dbraw/zinc/02/73/08/1377027308.db2.gz ZSNMCUVGXWNHQE-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1occc1C[NH+](C)C)[NH2+]CCCC1CCC1 ZINC001135299511 1377027376 /nfs/dbraw/zinc/02/73/76/1377027376.db2.gz XJSQVFJCHVSBFO-CVEARBPZSA-N 2 0 349.519 3.408 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1sccc1Cl)NC(=O)CCC[NH+](C)C ZINC001135315030 1377033746 /nfs/dbraw/zinc/03/37/46/1377033746.db2.gz KMBMVSIYGKNYIG-STQMWFEESA-N 2 0 345.940 3.116 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC(F)(F)CC1)NC(=O)CCC[NH+](C)C ZINC001135314886 1377033756 /nfs/dbraw/zinc/03/37/56/1377033756.db2.gz IKNOISDDYRQASC-LSDHHAIUSA-N 2 0 347.494 3.027 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001135317541 1377035297 /nfs/dbraw/zinc/03/52/97/1377035297.db2.gz YZHRHLRLEAFNDZ-RBUKOAKNSA-N 2 0 347.547 3.327 20 0 EGADRP c1ccc(Oc2cccc(CC[NH2+][C@H]3CSC4(C[NH2+]C4)C3)c2)cc1 ZINC001246160063 1377050382 /nfs/dbraw/zinc/05/03/82/1377050382.db2.gz RMKNFXHKEGCDEI-QGZVFWFLSA-N 2 0 340.492 3.459 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381957 1377051490 /nfs/dbraw/zinc/05/14/90/1377051490.db2.gz VKKIICDUKHEOQF-MJGOQNOKSA-N 2 0 347.522 3.247 20 0 EGADRP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246546436 1377052490 /nfs/dbraw/zinc/05/24/90/1377052490.db2.gz KCVLOMRVWBLLJB-RBUKOAKNSA-N 2 0 338.451 3.383 20 0 EGADRP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246749364 1377054311 /nfs/dbraw/zinc/05/43/11/1377054311.db2.gz WCIUDBJSACUOPH-XSYGEPLQSA-N 2 0 345.556 3.319 20 0 EGADRP c1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](C2CCC4(CCC[NH2+]C4)CC2)C3)co1 ZINC001246750392 1377054511 /nfs/dbraw/zinc/05/45/11/1377054511.db2.gz UQFMWKBXDVBQJH-OSIBBQKWSA-N 2 0 343.515 3.098 20 0 EGADRP Fc1ccc(CN2CCC[N@@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246822711 1377055358 /nfs/dbraw/zinc/05/53/58/1377055358.db2.gz MTHZEUMTERQXAS-NHCUHLMSSA-N 2 0 345.506 3.256 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)N(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246938695 1377056012 /nfs/dbraw/zinc/05/60/12/1377056012.db2.gz SJHXXQDOZWFVPM-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1c(F)cccc1-c1noc([C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247908184 1377065295 /nfs/dbraw/zinc/06/52/95/1377065295.db2.gz XVUZYXYCUQOHPB-AWEZNQCLSA-N 2 0 344.434 3.116 20 0 EGADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(CC2CCC2)CCC(F)(F)CC1 ZINC001253410738 1377098070 /nfs/dbraw/zinc/09/80/70/1377098070.db2.gz SLXPQYJWQIVBAE-OAHLLOKOSA-N 2 0 332.479 3.463 20 0 EGADRP Cc1cc(F)ccc1CN1CCC([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254510482 1377105401 /nfs/dbraw/zinc/10/54/01/1377105401.db2.gz WUMTUZFGKBVGIA-LJQANCHMSA-N 2 0 333.495 3.172 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481240 1377113851 /nfs/dbraw/zinc/11/38/51/1377113851.db2.gz RRALNPSTVWNDET-RBUKOAKNSA-N 2 0 347.547 3.080 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481229 1377113997 /nfs/dbraw/zinc/11/39/97/1377113997.db2.gz ROTFXWSJYQKVEJ-RTBURBONSA-N 2 0 347.547 3.224 20 0 EGADRP O=C1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001258569315 1377117851 /nfs/dbraw/zinc/11/78/51/1377117851.db2.gz SYWCFKVXRKUJRT-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001265688008 1377159549 /nfs/dbraw/zinc/15/95/49/1377159549.db2.gz KSUNEYIHTLMNDD-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614719 1377163020 /nfs/dbraw/zinc/16/30/20/1377163020.db2.gz YTVWDIAVBUUSMX-IRXDYDNUSA-N 2 0 339.568 3.418 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\Cl ZINC001135691520 1377184932 /nfs/dbraw/zinc/18/49/32/1377184932.db2.gz VTQFEMHGFCZJRX-SNPSMXBXSA-N 2 0 331.932 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135743222 1377199195 /nfs/dbraw/zinc/19/91/95/1377199195.db2.gz HBTUCCMDHOTSJZ-SJORKVTESA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135746982 1377200476 /nfs/dbraw/zinc/20/04/76/1377200476.db2.gz MDJDYFWORUFXQV-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135748089 1377201411 /nfs/dbraw/zinc/20/14/11/1377201411.db2.gz YSWCSZNHAZIIDB-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001266158823 1377210690 /nfs/dbraw/zinc/21/06/90/1377210690.db2.gz XEVXCACBJUUJFJ-HKUYNNGSSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001135824790 1377222514 /nfs/dbraw/zinc/22/25/14/1377222514.db2.gz XOTGZLXQDXTVCC-ZWKOTPCHSA-N 2 0 345.531 3.180 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(C)c1 ZINC001327290913 1388486103 /nfs/dbraw/zinc/48/61/03/1388486103.db2.gz JUNKIVBDAFNYON-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135977277 1377284554 /nfs/dbraw/zinc/28/45/54/1377284554.db2.gz REOZLOLDAGVNHY-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135976317 1377284677 /nfs/dbraw/zinc/28/46/77/1377284677.db2.gz IXJLDHVKXGNCKJ-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135978981 1377284966 /nfs/dbraw/zinc/28/49/66/1377284966.db2.gz AHIQTXMMHTZHJM-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135995672 1377292330 /nfs/dbraw/zinc/29/23/30/1377292330.db2.gz JFOJGHIIPBUVRG-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CC23CC[NH+](CCCC2CCC2)CC3)CCC1 ZINC001266373877 1377298549 /nfs/dbraw/zinc/29/85/49/1377298549.db2.gz NGFXQHXGZQSJTB-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001267207660 1377430429 /nfs/dbraw/zinc/43/04/29/1377430429.db2.gz GGOATTZYFMXRKW-SFHVURJKSA-N 2 0 345.531 3.054 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001267547104 1377455308 /nfs/dbraw/zinc/45/53/08/1377455308.db2.gz UQFUDCFWOSXEGR-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)CC1 ZINC001137186129 1377492745 /nfs/dbraw/zinc/49/27/45/1377492745.db2.gz KKRDUFCYOIRCKE-UHFFFAOYSA-N 2 0 339.483 3.494 20 0 EGADRP c1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001137314950 1377516557 /nfs/dbraw/zinc/51/65/57/1377516557.db2.gz QXQHCEQPYMAJRC-KDURUIRLSA-N 2 0 332.451 3.127 20 0 EGADRP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268754345 1377526039 /nfs/dbraw/zinc/52/60/39/1377526039.db2.gz ZCGBYHBGKMNYTO-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP COc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc(F)c1OC ZINC001137509343 1377559185 /nfs/dbraw/zinc/55/91/85/1377559185.db2.gz IGBPWBPEIFBXGN-UHFFFAOYSA-N 2 0 336.451 3.151 20 0 EGADRP Oc1cc(O)cc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001138331402 1377703826 /nfs/dbraw/zinc/70/38/26/1377703826.db2.gz YJHCIIMQOFQXLA-UHFFFAOYSA-N 2 0 338.451 3.196 20 0 EGADRP Oc1cccnc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001138397602 1377717335 /nfs/dbraw/zinc/71/73/35/1377717335.db2.gz XEWKMAPQKRPLBI-MOPGFXCFSA-N 2 0 337.467 3.131 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)nn1C ZINC001138828252 1377792688 /nfs/dbraw/zinc/79/26/88/1377792688.db2.gz UAFUNYSFEMVDEY-LJQANCHMSA-N 2 0 342.487 3.198 20 0 EGADRP C[NH2+][C@H](C)CCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001327431333 1388518283 /nfs/dbraw/zinc/51/82/83/1388518283.db2.gz PSPRSOMZAAMAHX-QGZVFWFLSA-N 2 0 346.519 3.081 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3c[nH]c4cccc(O)c34)CC2)CC1 ZINC001140233411 1378035277 /nfs/dbraw/zinc/03/52/77/1378035277.db2.gz MTGNUJZTRLXISE-UHFFFAOYSA-N 2 0 327.472 3.427 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc2n[nH]cc2c1 ZINC001140388403 1378056300 /nfs/dbraw/zinc/05/63/00/1378056300.db2.gz SDXVUUOVICOXNP-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1csc2ccccc12 ZINC001140636609 1378102751 /nfs/dbraw/zinc/10/27/51/1378102751.db2.gz XJNQUNQSDCWDRM-ZWKOTPCHSA-N 2 0 329.513 3.112 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccc(C)cc1 ZINC001273591598 1378105679 /nfs/dbraw/zinc/10/56/79/1378105679.db2.gz XQKPDCXAHBJSJA-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001275166597 1378137162 /nfs/dbraw/zinc/13/71/62/1378137162.db2.gz BBAXPBPFNVNLKF-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001275391249 1378139382 /nfs/dbraw/zinc/13/93/82/1378139382.db2.gz BNDJULIBNYELRA-ROUUACIJSA-N 2 0 345.531 3.271 20 0 EGADRP COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)c1 ZINC001140822490 1378151712 /nfs/dbraw/zinc/15/17/12/1378151712.db2.gz UGKOAPBQLZAWSY-UHFFFAOYSA-N 2 0 341.927 3.054 20 0 EGADRP C[N@@H+]1CCCC2(CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)C1 ZINC001275722307 1378153501 /nfs/dbraw/zinc/15/35/01/1378153501.db2.gz QHHJXGIPJKRARC-UHFFFAOYSA-N 2 0 336.863 3.377 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001140883793 1378168655 /nfs/dbraw/zinc/16/86/55/1378168655.db2.gz FHZNVUGIJBEHEI-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001276336246 1378171856 /nfs/dbraw/zinc/17/18/56/1378171856.db2.gz HOQLMJGOUJKRRA-NRFANRHFSA-N 2 0 336.483 3.451 20 0 EGADRP C[N@@H+]1CCCC2(CC[NH+](Cc3cn4ccc(Cl)cc4n3)CC2)C1 ZINC001276491614 1378175965 /nfs/dbraw/zinc/17/59/65/1378175965.db2.gz LDMBXNSWLKWSFV-UHFFFAOYSA-N 2 0 332.879 3.296 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140944414 1378187247 /nfs/dbraw/zinc/18/72/47/1378187247.db2.gz DMVGHISEOJAZGB-UHFFFAOYSA-N 2 0 348.922 3.056 20 0 EGADRP C[NH+]1CCC2(CCN(Cc3ncc(Cl)nc3Cl)CC2)CC1 ZINC001141137246 1378246252 /nfs/dbraw/zinc/24/62/52/1378246252.db2.gz HSSQZOYLCCXBER-UHFFFAOYSA-N 2 0 329.275 3.091 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12C[NH+](CCCC1CCCC1)C2 ZINC001278021978 1378254710 /nfs/dbraw/zinc/25/47/10/1378254710.db2.gz ODOBOYQIQJQAJU-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1c3ccoc3ccc1F)CC2 ZINC001278173021 1378261518 /nfs/dbraw/zinc/26/15/18/1378261518.db2.gz GHYGIKJALFTDCG-UHFFFAOYSA-N 2 0 345.462 3.031 20 0 EGADRP CC(C)c1nc(CC[N@H+](C)Cc2cccc(-n3ccnc3)c2)no1 ZINC001141238571 1378280597 /nfs/dbraw/zinc/28/05/97/1378280597.db2.gz MULFFSRQOHESCD-UHFFFAOYSA-N 2 0 325.416 3.053 20 0 EGADRP c1n[nH]cc1C[NH+]1CC[C@H]2C[N@H+](Cc3c[nH]c4ccccc34)C[C@H]2CC1 ZINC001279170980 1378300631 /nfs/dbraw/zinc/30/06/31/1378300631.db2.gz FFVNUAPLCSVIPO-HDICACEKSA-N 2 0 349.482 3.235 20 0 EGADRP c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5c[nH]nc5c4)C[C@H]3CC2)c1 ZINC001279440762 1378308947 /nfs/dbraw/zinc/30/89/47/1378308947.db2.gz NDLDVMVEMWFKJK-KDURUIRLSA-N 2 0 349.482 3.235 20 0 EGADRP CC[C@H](C(=O)NCC1=CC[N@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001279583353 1378314220 /nfs/dbraw/zinc/31/42/20/1378314220.db2.gz XFDLFHQQECHQJM-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3cnc(C(F)(F)F)nc3)CC2)CC1 ZINC001141461973 1378329432 /nfs/dbraw/zinc/32/94/32/1378329432.db2.gz JHGZJIOSIUJTNF-UHFFFAOYSA-N 2 0 342.409 3.049 20 0 EGADRP CCCc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001142367638 1378436720 /nfs/dbraw/zinc/43/67/20/1378436720.db2.gz UFXKTDCWGFCICU-UHFFFAOYSA-N 2 0 329.532 3.099 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001281950243 1378462327 /nfs/dbraw/zinc/46/23/27/1378462327.db2.gz SUXQZIGPMYCTJM-IBGZPJMESA-N 2 0 345.531 3.127 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001282494821 1378513193 /nfs/dbraw/zinc/51/31/93/1378513193.db2.gz QOOOCGDGUPWXLX-MOPGFXCFSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282715644 1378573976 /nfs/dbraw/zinc/57/39/76/1378573976.db2.gz BMJXUPCJNGIRKZ-QFBILLFUSA-N 2 0 343.515 3.059 20 0 EGADRP O=C(c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550774 1388558496 /nfs/dbraw/zinc/55/84/96/1388558496.db2.gz KBDKNLRXJKMGJS-VQTJNVASSA-N 2 0 341.499 3.029 20 0 EGADRP C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC001143444175 1378598134 /nfs/dbraw/zinc/59/81/34/1378598134.db2.gz ZGIUIBXGEJTEAW-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001143831212 1378651037 /nfs/dbraw/zinc/65/10/37/1378651037.db2.gz BWFVMMKBWCSRME-HKUYNNGSSA-N 2 0 345.531 3.352 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001146341561 1378821898 /nfs/dbraw/zinc/82/18/98/1378821898.db2.gz ZHANGEGCTDHNMT-ZWKOTPCHSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408453 1378835876 /nfs/dbraw/zinc/83/58/76/1378835876.db2.gz JOAJVNZGGWJWFF-MSOLQXFVSA-N 2 0 345.531 3.279 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583116 1378870805 /nfs/dbraw/zinc/87/08/05/1378870805.db2.gz JJGSYFYTFDLNBU-HZPDHXFCSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001146581518 1378870849 /nfs/dbraw/zinc/87/08/49/1378870849.db2.gz CMMKKQRWBCVFSB-HOTGVXAUSA-N 2 0 331.504 3.035 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1C ZINC001146593897 1378872829 /nfs/dbraw/zinc/87/28/29/1378872829.db2.gz RDFMGBRRELMANL-ROUUACIJSA-N 2 0 333.520 3.017 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001146592729 1378873688 /nfs/dbraw/zinc/87/36/88/1378873688.db2.gz KXOJQUYTXBKGQW-DLBZAZTESA-N 2 0 325.541 3.170 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)c1 ZINC001146591037 1378873719 /nfs/dbraw/zinc/87/37/19/1378873719.db2.gz FOPSWNWNQCOLHA-RTBURBONSA-N 2 0 347.547 3.325 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146593849 1378873798 /nfs/dbraw/zinc/87/37/98/1378873798.db2.gz QQISHEBFJLBJSA-ZWKOTPCHSA-N 2 0 347.547 3.352 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146611579 1378877632 /nfs/dbraw/zinc/87/76/32/1378877632.db2.gz MOIYUYQENDLFKC-MGBKSAOESA-N 2 0 337.552 3.482 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001146611571 1378877936 /nfs/dbraw/zinc/87/79/36/1378877936.db2.gz MKZAXUWQRCFLNM-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)CCCC[NH+]1CCCC1 ZINC001146700326 1378900817 /nfs/dbraw/zinc/90/08/17/1378900817.db2.gz FYEYBXVSKGCLNF-OALUTQOASA-N 2 0 345.531 3.326 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001147449032 1379023483 /nfs/dbraw/zinc/02/34/83/1379023483.db2.gz FUYLJBSUHGXUKX-CEXWTWQISA-N 2 0 337.552 3.031 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992837 1379104220 /nfs/dbraw/zinc/10/42/20/1379104220.db2.gz OHDYCFLHFOYTNT-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2)[NH+](CC)CC ZINC001148285142 1379145917 /nfs/dbraw/zinc/14/59/17/1379145917.db2.gz NYRJOVQUVGMUGL-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)C[C@H]1C ZINC001284018598 1379367334 /nfs/dbraw/zinc/36/73/34/1379367334.db2.gz UKAFECGVTABVHC-IEBWSBKVSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CCCC1CCCC1 ZINC001284131399 1379513165 /nfs/dbraw/zinc/51/31/65/1379513165.db2.gz KZVQRHVLYMDAGB-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001327925917 1388625571 /nfs/dbraw/zinc/62/55/71/1388625571.db2.gz PZNADZMKJZOIGP-XLIONFOSSA-N 2 0 345.531 3.088 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2C[NH+](C)C)c1 ZINC001152384615 1379923760 /nfs/dbraw/zinc/92/37/60/1379923760.db2.gz USCIPWAVYJYTDV-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153367681 1380066396 /nfs/dbraw/zinc/06/63/96/1380066396.db2.gz CBEZMWNWKRLWKK-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCC2CCCC2)CC[N@@H+]1C ZINC001153463982 1380081461 /nfs/dbraw/zinc/08/14/61/1380081461.db2.gz FFRYMOSSFSXJIN-NZSAHSFTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C ZINC001153720691 1380119079 /nfs/dbraw/zinc/11/90/79/1380119079.db2.gz LXGPCOCXKMKAJU-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814683 1380134970 /nfs/dbraw/zinc/13/49/70/1380134970.db2.gz RUPMLQQFVHUQLT-MOPGFXCFSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818787 1380136018 /nfs/dbraw/zinc/13/60/18/1380136018.db2.gz APDKFMIBGVNSNL-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819001 1380136086 /nfs/dbraw/zinc/13/60/86/1380136086.db2.gz JWFKOCIZKBAQBI-FAPWYTRCSA-N 2 0 337.552 3.432 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990707 1380172807 /nfs/dbraw/zinc/17/28/07/1380172807.db2.gz PTIUVSJFHPQESP-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099389 1380207513 /nfs/dbraw/zinc/20/75/13/1380207513.db2.gz JLPYMCMPYUZTTQ-MRXNPFEDSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154122752 1380212429 /nfs/dbraw/zinc/21/24/29/1380212429.db2.gz JKECQANNHWIJEI-HKVOBHHDSA-N 2 0 337.552 3.290 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123041 1380213215 /nfs/dbraw/zinc/21/32/15/1380213215.db2.gz MDOYRJSLGMSIOH-MJGOQNOKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178783 1380221986 /nfs/dbraw/zinc/22/19/86/1380221986.db2.gz QUNQJXSJSMYYDI-CQSZACIVSA-N 2 0 342.468 3.036 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154179234 1380222073 /nfs/dbraw/zinc/22/20/73/1380222073.db2.gz ZTAZXYCIOXQUBE-MRXNPFEDSA-N 2 0 330.476 3.211 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347449 1380261034 /nfs/dbraw/zinc/26/10/34/1380261034.db2.gz AFLUDWCCLKFDHD-MRXNPFEDSA-N 2 0 342.487 3.355 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455102 1380280484 /nfs/dbraw/zinc/28/04/84/1380280484.db2.gz FNKTZHDRDUAFHE-TWPWWVQHSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464140 1380282576 /nfs/dbraw/zinc/28/25/76/1380282576.db2.gz GAMIZWOFDPQAGC-QGZVFWFLSA-N 2 0 325.541 3.268 20 0 EGADRP CC[C@@H](F)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464521 1380282958 /nfs/dbraw/zinc/28/29/58/1380282958.db2.gz OANAHFDDYKHNBQ-IAGOWNOFSA-N 2 0 343.531 3.216 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580364 1380309778 /nfs/dbraw/zinc/30/97/78/1380309778.db2.gz VTVDGEPBXHBFSW-QZEKMECESA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898245 1380374124 /nfs/dbraw/zinc/37/41/24/1380374124.db2.gz CNMLYVVNBXKUBR-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066568 1380401594 /nfs/dbraw/zinc/40/15/94/1380401594.db2.gz JVVUHAYDJKDICM-UYAOXDASSA-N 2 0 347.547 3.216 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085822 1380406054 /nfs/dbraw/zinc/40/60/54/1380406054.db2.gz UPOIAUZXIVPTMG-RCCFBDPRSA-N 2 0 327.557 3.081 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227085 1380426777 /nfs/dbraw/zinc/42/67/77/1380426777.db2.gz UAJGEZBTQLGYTA-QZTJIDSGSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237696 1380428064 /nfs/dbraw/zinc/42/80/64/1380428064.db2.gz GGOOLCDMMVZZBL-APWZRJJASA-N 2 0 343.531 3.072 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263616 1380430219 /nfs/dbraw/zinc/43/02/19/1380430219.db2.gz SXEMSIKVCMYQQR-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621953 1380475426 /nfs/dbraw/zinc/47/54/26/1380475426.db2.gz UVLWEQNKLGMEJU-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631734 1380476628 /nfs/dbraw/zinc/47/66/28/1380476628.db2.gz YZOADCHELYWQHC-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993991 1380511703 /nfs/dbraw/zinc/51/17/03/1380511703.db2.gz DQFLSWSRTNHGTH-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CC[NH+](Cc1cc2ccccc2o1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200854 1380541626 /nfs/dbraw/zinc/54/16/26/1380541626.db2.gz RJKBYCHKTUCRKR-MRXNPFEDSA-N 2 0 345.487 3.101 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)CC[NH2+]C5)[C@@H]3C2)cc1 ZINC001156313810 1380556742 /nfs/dbraw/zinc/55/67/42/1380556742.db2.gz CIZNURKLJFPTGE-QKNQBKEWSA-N 2 0 348.494 3.050 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428579 1380574992 /nfs/dbraw/zinc/57/49/92/1380574992.db2.gz SWNCVSBIRXRVPM-MRXNPFEDSA-N 2 0 346.519 3.168 20 0 EGADRP CC[N@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465935 1380579659 /nfs/dbraw/zinc/57/96/59/1380579659.db2.gz IDFPHTUINMTIOR-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP CN(c1cccc(N2CCC([NH3+])CC2)[nH+]1)C(C)(C)Cc1ccccc1 ZINC001156515236 1380586835 /nfs/dbraw/zinc/58/68/35/1380586835.db2.gz BWWVSZOMMFIJHV-UHFFFAOYSA-N 2 0 338.499 3.467 20 0 EGADRP CCN(C)c1cc(C)nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001156522491 1380587665 /nfs/dbraw/zinc/58/76/65/1380587665.db2.gz AKMGPZCRCGJJCT-GOSISDBHSA-N 2 0 339.487 3.490 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001328098841 1388670227 /nfs/dbraw/zinc/67/02/27/1388670227.db2.gz QRVLPSSPYHPLBQ-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001156865400 1380709521 /nfs/dbraw/zinc/70/95/21/1380709521.db2.gz YRJADBXABWHVSS-SFHVURJKSA-N 2 0 335.455 3.426 20 0 EGADRP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890552 1380718906 /nfs/dbraw/zinc/71/89/06/1380718906.db2.gz OQGUNFWKHIIKAA-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157081368 1380770955 /nfs/dbraw/zinc/77/09/55/1380770955.db2.gz MBPWJDIAALYBLQ-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109942 1380779177 /nfs/dbraw/zinc/77/91/77/1380779177.db2.gz WHILZWUUPVCJBN-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113273 1380779234 /nfs/dbraw/zinc/77/92/34/1380779234.db2.gz GCMNJOBPLPBJMW-GOSISDBHSA-N 2 0 347.547 3.477 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157965096 1381083690 /nfs/dbraw/zinc/08/36/90/1381083690.db2.gz NMWXTMJEJOTBCX-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC(C)C)[NH+](C)C ZINC001158118151 1381133393 /nfs/dbraw/zinc/13/33/93/1381133393.db2.gz SXTAMZUMEWILRK-GUDVDZBRSA-N 2 0 339.568 3.322 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCC2)CCCC1 ZINC001158282906 1381184283 /nfs/dbraw/zinc/18/42/83/1381184283.db2.gz DSDIMZCQAZPBCE-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)c2cc(C)ccc2C)CC[N@@H+]1C ZINC001158412936 1381237669 /nfs/dbraw/zinc/23/76/69/1381237669.db2.gz TYZQRRPTHIRCQJ-WSTZPKSXSA-N 2 0 345.531 3.191 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480550 1381262131 /nfs/dbraw/zinc/26/21/31/1381262131.db2.gz NTPVJMADRROBKF-OVKVCFKUSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)C)[NH+](C)C ZINC001158486884 1381264126 /nfs/dbraw/zinc/26/41/26/1381264126.db2.gz LSNPUZFRIPRBGT-MSOLQXFVSA-N 2 0 325.541 3.076 20 0 EGADRP C[NH+]1CCC(N(c2cc(Cl)nc3c2CC[NH2+]C3)C2CCCC2)CC1 ZINC001158487482 1381265016 /nfs/dbraw/zinc/26/50/16/1381265016.db2.gz CMPGPMMFKITJLB-UHFFFAOYSA-N 2 0 348.922 3.224 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)C(C)C ZINC001158604956 1381316084 /nfs/dbraw/zinc/31/60/84/1381316084.db2.gz GNKLOWQBYFVBSR-GOSISDBHSA-N 2 0 325.541 3.220 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768123 1381389102 /nfs/dbraw/zinc/38/91/02/1381389102.db2.gz JKNFMDYMGYPGCA-QZTJIDSGSA-N 2 0 325.541 3.077 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158786681 1381399804 /nfs/dbraw/zinc/39/98/04/1381399804.db2.gz FBXMQPJYYQPZDS-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1 ZINC001159138558 1381653309 /nfs/dbraw/zinc/65/33/09/1381653309.db2.gz JAMBCFLTFHWDIH-AWEZNQCLSA-N 2 0 330.501 3.448 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2cccnc2OC2CC[NH2+]CC2)cc1 ZINC001159247737 1381743440 /nfs/dbraw/zinc/74/34/40/1381743440.db2.gz HDAJNARUBUCTRQ-UHFFFAOYSA-N 2 0 326.444 3.150 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccccc1 ZINC001159355549 1381775163 /nfs/dbraw/zinc/77/51/63/1381775163.db2.gz HADVDGXIRHBSLK-OALUTQOASA-N 2 0 331.504 3.108 20 0 EGADRP c1ccc(C[N@@H+]2CCC=C(Nc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001159450282 1381797076 /nfs/dbraw/zinc/79/70/76/1381797076.db2.gz TVEPSASWJCPABA-UHFFFAOYSA-N 2 0 348.494 3.298 20 0 EGADRP Cc1cnc(C)nc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001159460226 1381799625 /nfs/dbraw/zinc/79/96/25/1381799625.db2.gz FWGJJVIXTICXJU-UHFFFAOYSA-N 2 0 349.482 3.003 20 0 EGADRP c1ccc(C[N@H+]2CC=C(Nc3ccc4c(c3)C[NH2+]CCO4)CC2)cc1 ZINC001159790895 1381901183 /nfs/dbraw/zinc/90/11/83/1381901183.db2.gz FAEDZWUOEREHSC-UHFFFAOYSA-N 2 0 335.451 3.370 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001159911054 1381934765 /nfs/dbraw/zinc/93/47/65/1381934765.db2.gz XDGQCNFEZIAHOG-FQEVSTJZSA-N 2 0 345.531 3.162 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)c1F ZINC001160053453 1381982191 /nfs/dbraw/zinc/98/21/91/1381982191.db2.gz ZCHOOUJTDVSLFR-UHFFFAOYSA-N 2 0 346.425 3.180 20 0 EGADRP Fc1cc(Nc2ccc3c(c2)CC[NH2+]C3)ccc1OC1CC[NH2+]CC1 ZINC001160098726 1381996006 /nfs/dbraw/zinc/99/60/06/1381996006.db2.gz IKUQQLVPRXGVRR-UHFFFAOYSA-N 2 0 341.430 3.346 20 0 EGADRP COc1cc(NC=CC2CC[NH2+]CC2)ccc1OCC[NH+]1CCCC1 ZINC001160250570 1382048480 /nfs/dbraw/zinc/04/84/80/1382048480.db2.gz UMTUHWJMJYZCIZ-DHZHZOJOSA-N 2 0 345.487 3.095 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001160274459 1382057880 /nfs/dbraw/zinc/05/78/80/1382057880.db2.gz SPWYBFFZOZZDJO-RBUKOAKNSA-N 2 0 345.531 3.335 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160273399 1382058136 /nfs/dbraw/zinc/05/81/36/1382058136.db2.gz LUBRTBVFQXDKJA-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001160273800 1382058515 /nfs/dbraw/zinc/05/85/15/1382058515.db2.gz OGLNLVLNJGEUBI-KKSMZRNKSA-N 2 0 343.515 3.060 20 0 EGADRP c1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c(CN2CC[NH2+]CC2)c1 ZINC001160297424 1382065983 /nfs/dbraw/zinc/06/59/83/1382065983.db2.gz YFTFYVXMJQXUOA-FQEVSTJZSA-N 2 0 340.515 3.036 20 0 EGADRP C[N@H+](CC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001160379569 1382088354 /nfs/dbraw/zinc/08/83/54/1382088354.db2.gz JCFYERWIGYGKAX-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400426 1382094887 /nfs/dbraw/zinc/09/48/87/1382094887.db2.gz QAYOJEAYJPJUNZ-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160473486 1382117068 /nfs/dbraw/zinc/11/70/68/1382117068.db2.gz JPQKXUJXIKZKFK-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001160479017 1382117590 /nfs/dbraw/zinc/11/75/90/1382117590.db2.gz JLFSRNFOTHMYIJ-IEBWSBKVSA-N 2 0 337.552 3.147 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491277 1382121040 /nfs/dbraw/zinc/12/10/40/1382121040.db2.gz AINOTDWLEWKHKF-GOSISDBHSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001160883865 1382223797 /nfs/dbraw/zinc/22/37/97/1382223797.db2.gz WZWXUQXMWIAOFV-QFBILLFUSA-N 2 0 333.520 3.307 20 0 EGADRP [NH3+]CCc1cn(C(F)(F)c2cc(Cl)ncc2F)c2cc[nH+]cc12 ZINC001160945539 1382247156 /nfs/dbraw/zinc/24/71/56/1382247156.db2.gz DUDPLKAVUGIMDJ-UHFFFAOYSA-N 2 0 340.736 3.323 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161028037 1382277239 /nfs/dbraw/zinc/27/72/39/1382277239.db2.gz DWXRESBJWDMVJL-GOSISDBHSA-N 2 0 337.552 3.149 20 0 EGADRP CC1CCC(C[N@H+]2CC=C(CCNC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001161030109 1382277660 /nfs/dbraw/zinc/27/76/60/1382277660.db2.gz WUTWHQLQOHBENQ-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001161214101 1382344546 /nfs/dbraw/zinc/34/45/46/1382344546.db2.gz TXABIDPOVVOPAN-IBGZPJMESA-N 2 0 335.536 3.211 20 0 EGADRP Cc1cc2[nH]ccc2c(NC2CC[NH+](CC3CCOCC3)CC2)[nH+]1 ZINC001161215299 1382345684 /nfs/dbraw/zinc/34/56/84/1382345684.db2.gz PQUVMQYQDVDEMC-UHFFFAOYSA-N 2 0 328.460 3.174 20 0 EGADRP CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001161390329 1382395020 /nfs/dbraw/zinc/39/50/20/1382395020.db2.gz XKZPAKJKDRFUNA-UXHICEINSA-N 2 0 347.547 3.353 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444322 1382412120 /nfs/dbraw/zinc/41/21/20/1382412120.db2.gz BZVXPXKOPPFVAD-PMACEKPBSA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCC2=CCCCC2)CC1 ZINC001161645543 1382469244 /nfs/dbraw/zinc/46/92/44/1382469244.db2.gz KSIKIHHUVKGIDJ-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC1=CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001161683151 1382480019 /nfs/dbraw/zinc/48/00/19/1382480019.db2.gz NTSMNTMVHMKIGO-FQEVSTJZSA-N 2 0 343.515 3.226 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705734 1382486092 /nfs/dbraw/zinc/48/60/92/1382486092.db2.gz XGKLETAQPYDGKD-UXHICEINSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)Cc1ccnc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161828331 1382522878 /nfs/dbraw/zinc/52/28/78/1382522878.db2.gz WMLJSHAKBCJIPK-FQEVSTJZSA-N 2 0 342.462 3.435 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001161856779 1382532654 /nfs/dbraw/zinc/53/26/54/1382532654.db2.gz FJOXNBJDJLKWID-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP O=C(NCCC[NH2+][C@@H]1CCCc2ccccc21)c1ccn2c[nH+]cc2c1 ZINC001161872379 1382535994 /nfs/dbraw/zinc/53/59/94/1382535994.db2.gz DNLQFBXETJRWOS-HXUWFJFHSA-N 2 0 348.450 3.121 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925178 1382556069 /nfs/dbraw/zinc/55/60/69/1382556069.db2.gz YLHZJJXLDQFLOF-QZTJIDSGSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952039 1382568111 /nfs/dbraw/zinc/56/81/11/1382568111.db2.gz AWUPUTVSFMMXMH-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952680 1382568771 /nfs/dbraw/zinc/56/87/71/1382568771.db2.gz IPOPEOJQYCFOSX-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952686 1382570059 /nfs/dbraw/zinc/57/00/59/1382570059.db2.gz ISKBIRMRVWPNBL-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994281 1382593074 /nfs/dbraw/zinc/59/30/74/1382593074.db2.gz YCKNUGMORNUAPV-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP [NH3+]CCN(c1cc[nH+]c(N2CCOCC2)c1)c1cccc2ccccc21 ZINC001162005489 1382596698 /nfs/dbraw/zinc/59/66/98/1382596698.db2.gz OZEWQNNWUDWNFS-UHFFFAOYSA-N 2 0 348.450 3.168 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(NC[C@]3(F)CCCC[NH2+]C3)c(C)c2)CC1 ZINC001162580676 1382798003 /nfs/dbraw/zinc/79/80/03/1382798003.db2.gz WFMDDGRXGWJPFY-FQEVSTJZSA-N 2 0 346.494 3.393 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccc(CN3CC[C@@H]([NH3+])C3)c2)c1 ZINC001162913871 1382914475 /nfs/dbraw/zinc/91/44/75/1382914475.db2.gz MDEXEGNHXFTUAL-DNVCBOLYSA-N 2 0 334.467 3.183 20 0 EGADRP C[N@@H+]1CC[C@H](c2ccc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)cc2)C1 ZINC001162967281 1382930788 /nfs/dbraw/zinc/93/07/88/1382930788.db2.gz OBYZTMZUGQFCGH-ICSRJNTNSA-N 2 0 343.515 3.066 20 0 EGADRP COc1cc2c[nH+]c(NC3CC4(C3)CCC[NH2+]C4)cc2cc1OC ZINC001162986976 1382938117 /nfs/dbraw/zinc/93/81/17/1382938117.db2.gz VZMXFARHXWBGPV-UHFFFAOYSA-N 2 0 327.428 3.196 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)nc2ccsc21 ZINC001163126641 1382971309 /nfs/dbraw/zinc/97/13/09/1382971309.db2.gz UEDRBWOIRHMZBN-UHFFFAOYSA-N 2 0 325.869 3.228 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001163249159 1383005023 /nfs/dbraw/zinc/00/50/23/1383005023.db2.gz XACCFYYBIYEHBL-GOSISDBHSA-N 2 0 345.531 3.356 20 0 EGADRP COCC[N@H+](C)[C@@H](CNc1cccc(N)[nH+]1)c1ccc(Cl)cc1 ZINC001163385639 1383037881 /nfs/dbraw/zinc/03/78/81/1383037881.db2.gz NMMBYYMYVULLFV-HNNXBMFYSA-N 2 0 334.851 3.049 20 0 EGADRP CC[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001163822189 1383125696 /nfs/dbraw/zinc/12/56/96/1383125696.db2.gz UZZKUVBAPOGDNL-RBUKOAKNSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)[NH+]1CCCC1 ZINC001163851108 1383129448 /nfs/dbraw/zinc/12/94/48/1383129448.db2.gz GJXCJDCBILUHLD-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]CCC1CCCCCC1)[NH+]1CCCC1 ZINC001163851128 1383129450 /nfs/dbraw/zinc/12/94/50/1383129450.db2.gz GZIOZLSOHSLIKJ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP [NH3+]CC1(c2ccccc2)CCN(c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001164438680 1383186756 /nfs/dbraw/zinc/18/67/56/1383186756.db2.gz AYGNWOUTVQJDIF-UHFFFAOYSA-N 2 0 336.483 3.179 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)C[NH2+]CC5)[C@@H]3C2)cc1 ZINC001164486438 1383191895 /nfs/dbraw/zinc/19/18/95/1383191895.db2.gz NZQZRPBVIMHRFG-ZCNNSNEGSA-N 2 0 348.494 3.050 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cnc5c(c4)C[NH2+]CC5)[C@H]3C2)cc1 ZINC001164491835 1383192564 /nfs/dbraw/zinc/19/25/64/1383192564.db2.gz HEXKLIQBMNTPDI-RBDMOPTHSA-N 2 0 348.494 3.050 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164536597 1383197509 /nfs/dbraw/zinc/19/75/09/1383197509.db2.gz NNZQKNCRBLCEFY-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC(F)(F)C[C@@]3(C)CF)c2)CC1 ZINC001164568179 1383199728 /nfs/dbraw/zinc/19/97/28/1383199728.db2.gz QOOCAODASPPBRT-INIZCTEOSA-N 2 0 343.393 3.128 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001164574489 1383200456 /nfs/dbraw/zinc/20/04/56/1383200456.db2.gz OEFSNPOJAZJKQX-WMZOPIPTSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)nc1 ZINC001165182275 1383243151 /nfs/dbraw/zinc/24/31/51/1383243151.db2.gz JECVONOLXJHRCB-NSHGMRRFSA-N 2 0 328.504 3.016 20 0 EGADRP C[NH+](C)C[C@]12C[C@H]1CN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001165185459 1383244232 /nfs/dbraw/zinc/24/42/32/1383244232.db2.gz TTXRYZNBLPZGGF-AVRDEDQJSA-N 2 0 346.478 3.473 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(O[C@H]3CC[NH2+]C3)c(F)c2)c1 ZINC001165213678 1383250508 /nfs/dbraw/zinc/25/05/08/1383250508.db2.gz QAAIAEYQPDUDAK-KRWDZBQOSA-N 2 0 329.419 3.372 20 0 EGADRP Cc1cc2[nH]ccc2c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)[nH+]1 ZINC001165266382 1383262469 /nfs/dbraw/zinc/26/24/69/1383262469.db2.gz MIDJUCNJCZILIB-HNNXBMFYSA-N 2 0 338.377 3.382 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165331716 1383274959 /nfs/dbraw/zinc/27/49/59/1383274959.db2.gz ARYCDVDCVJQDPR-RURPWVQCSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165484151 1383300927 /nfs/dbraw/zinc/30/09/27/1383300927.db2.gz AAIFVPOMOFOAQH-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165567976 1383310912 /nfs/dbraw/zinc/31/09/12/1383310912.db2.gz CUXASDMBJUGZRW-PYTPGESOSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001165718378 1383331397 /nfs/dbraw/zinc/33/13/97/1383331397.db2.gz JNKXFJVRJXFQLO-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165737249 1383335859 /nfs/dbraw/zinc/33/58/59/1383335859.db2.gz QTHVSQSTCHLADW-OALUTQOASA-N 2 0 349.563 3.460 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328763750 1388848568 /nfs/dbraw/zinc/84/85/68/1388848568.db2.gz FYNJFYMVNIEJLG-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP O=C(NCCC1(C[NH2+]CCC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001165976073 1383372525 /nfs/dbraw/zinc/37/25/25/1383372525.db2.gz MYYMAKVPKIKBPR-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166389724 1383417728 /nfs/dbraw/zinc/41/77/28/1383417728.db2.gz FXHUSNDYHVFHFY-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+](CC)CC ZINC001166447708 1383423709 /nfs/dbraw/zinc/42/37/09/1383423709.db2.gz NQAWRCJQACNOCN-YJBOKZPZSA-N 2 0 337.483 3.103 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736997 1383468840 /nfs/dbraw/zinc/46/88/40/1383468840.db2.gz XXRAFJMTEUUISI-VOTSOKGWSA-N 2 0 345.531 3.247 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1)CC(C)(C)C ZINC001166744227 1383469935 /nfs/dbraw/zinc/46/99/35/1383469935.db2.gz MKRFERVWIKKLLO-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP CC(=CC(=O)OC(C)C)Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001166770887 1383475826 /nfs/dbraw/zinc/47/58/26/1383475826.db2.gz UZOGAIZBHBNHQR-VBKFSLOCSA-N 2 0 345.487 3.125 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001166882689 1383493584 /nfs/dbraw/zinc/49/35/84/1383493584.db2.gz NSWRVVXAGVZHHX-LJQANCHMSA-N 2 0 345.531 3.356 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1)[NH+](CC)CC ZINC001167179487 1383559675 /nfs/dbraw/zinc/55/96/75/1383559675.db2.gz KTTSBPSVTYNYTC-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167223880 1383569998 /nfs/dbraw/zinc/56/99/98/1383569998.db2.gz CSBCURBSZUUGRY-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167236042 1383571649 /nfs/dbraw/zinc/57/16/49/1383571649.db2.gz GKTVUUBFJKWYCO-PKOBYXMFSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001167260777 1383578071 /nfs/dbraw/zinc/57/80/71/1383578071.db2.gz JNKXFJVRJXFQLO-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)CC[C@@H](c1ccc(N[C@H]2CC[N@H+](C)C2)cc1)c1ccccn1 ZINC001167278174 1383583246 /nfs/dbraw/zinc/58/32/46/1383583246.db2.gz AWDFHJDJLWOGDC-PMACEKPBSA-N 2 0 338.499 3.281 20 0 EGADRP C[C@@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)[NH+]1CCCCCC1 ZINC001167385733 1383618720 /nfs/dbraw/zinc/61/87/20/1383618720.db2.gz QKGBFJLZTBHTNZ-XBMUEBEBSA-N 2 0 349.563 3.173 20 0 EGADRP O[C@@]1(C[N@@H+]2CCC3(C2)CCCCC3)CCN(Cc2ccccc2)C1 ZINC001167487483 1383648692 /nfs/dbraw/zinc/64/86/92/1383648692.db2.gz NQHGPPNTVMKTQM-NRFANRHFSA-N 2 0 328.500 3.280 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001167609278 1383688326 /nfs/dbraw/zinc/68/83/26/1383688326.db2.gz MRPFZTVQMGUDHL-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2c(C)cccc2C)CC1 ZINC001167635386 1383694036 /nfs/dbraw/zinc/69/40/36/1383694036.db2.gz KHSPLOOWHVXSKD-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001167634290 1383694097 /nfs/dbraw/zinc/69/40/97/1383694097.db2.gz HMBDCIFZZLKELW-MJGOQNOKSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001167634196 1383694342 /nfs/dbraw/zinc/69/43/42/1383694342.db2.gz GKHIDZBRNHLCKH-LPHOPBHVSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001167636586 1383695111 /nfs/dbraw/zinc/69/51/11/1383695111.db2.gz VSVTXPLCCJHCGO-LPHOPBHVSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001167641094 1383696625 /nfs/dbraw/zinc/69/66/25/1383696625.db2.gz TZYIRWRVDIZLEO-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1ccc(CC[NH3+])n1 ZINC001167732188 1383724613 /nfs/dbraw/zinc/72/46/13/1383724613.db2.gz QNVCHZSMBNQGDW-UHFFFAOYSA-N 2 0 340.393 3.234 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167814657 1383746904 /nfs/dbraw/zinc/74/69/04/1383746904.db2.gz AUCUNJDOYGYRNO-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@]2(C[C@H](CCOC)CO2)C1 ZINC001167823496 1383749769 /nfs/dbraw/zinc/74/97/69/1383749769.db2.gz LLUSVLSOFIUGMA-UFYCRDLUSA-N 2 0 340.552 3.405 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(N2Cc3ccccc3NC2=O)C1 ZINC001167833685 1383753111 /nfs/dbraw/zinc/75/31/11/1383753111.db2.gz DEMRHLHFIRMUQE-INIZCTEOSA-N 2 0 344.503 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001167836449 1383755129 /nfs/dbraw/zinc/75/51/29/1383755129.db2.gz WAHLKTIRBRJFMH-LJQANCHMSA-N 2 0 345.531 3.356 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001167839884 1383756037 /nfs/dbraw/zinc/75/60/37/1383756037.db2.gz CJRSNCNBYRJFNI-HKUYNNGSSA-N 2 0 334.504 3.213 20 0 EGADRP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940301 1383773386 /nfs/dbraw/zinc/77/33/86/1383773386.db2.gz LIFUQSPGWGCMCS-MNZLEMJZSA-N 2 0 337.467 3.463 20 0 EGADRP CN(C)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964621 1383780512 /nfs/dbraw/zinc/78/05/12/1383780512.db2.gz VAKNPBUJENTENJ-VCSGRIEYSA-N 2 0 327.516 3.290 20 0 EGADRP COC(=O)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167970546 1383782525 /nfs/dbraw/zinc/78/25/25/1383782525.db2.gz MRDIGJGRPQWBLX-IHWFROFDSA-N 2 0 342.483 3.011 20 0 EGADRP CCc1noc([C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167994679 1383790294 /nfs/dbraw/zinc/79/02/94/1383790294.db2.gz KDCDSWSEWGTHPE-HRBLRVMOSA-N 2 0 344.503 3.217 20 0 EGADRP CCOC(=O)C1(CC)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168004357 1383794224 /nfs/dbraw/zinc/79/42/24/1383794224.db2.gz UTLQMVJIBWNDHE-DFNIBXOVSA-N 2 0 348.531 3.447 20 0 EGADRP CC(=O)NC1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168040414 1383803430 /nfs/dbraw/zinc/80/34/30/1383803430.db2.gz MPGBHXDXFJCDBS-UPHUGPLXSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H]1C[C@@H](N2CC([NH+]3CCCC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168051339 1383804182 /nfs/dbraw/zinc/80/41/82/1383804182.db2.gz HLUJTTUOFBHBBU-OPVJXMOQSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]1CC([N@H+](C)CCC2OCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065877 1383808070 /nfs/dbraw/zinc/80/80/70/1383808070.db2.gz YSJWLVOCZDLHGW-IAGOWNOFSA-N 2 0 332.488 3.123 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001168252542 1383854177 /nfs/dbraw/zinc/85/41/77/1383854177.db2.gz OPPHVRUZWWGPEG-UHFFFAOYSA-N 2 0 340.552 3.142 20 0 EGADRP CC(C)[C@](O)(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC001168265980 1383857233 /nfs/dbraw/zinc/85/72/33/1383857233.db2.gz ZEQDOVCRPHNVHE-BVYCBKJFSA-N 2 0 342.527 3.479 20 0 EGADRP COc1cccc(CC2([NH2+]C3CCC([NH+](C)C)CC3)CCOCC2)c1 ZINC001168305374 1383868440 /nfs/dbraw/zinc/86/84/40/1383868440.db2.gz JDMIRVFVBYCUQF-UHFFFAOYSA-N 2 0 346.515 3.249 20 0 EGADRP CC(C)[NH+]1CC(Nc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)C1 ZINC001168315207 1383871887 /nfs/dbraw/zinc/87/18/87/1383871887.db2.gz KRQOOFSGVHOPAC-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320543 1383872211 /nfs/dbraw/zinc/87/22/11/1383872211.db2.gz BCUHPOXESYFIIZ-PLNGDYQASA-N 2 0 349.563 3.485 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326555 1383873199 /nfs/dbraw/zinc/87/31/99/1383873199.db2.gz BAFWNCMVBGYOJA-XNIRIUNOSA-N 2 0 339.524 3.094 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC001168356092 1383881653 /nfs/dbraw/zinc/88/16/53/1383881653.db2.gz KRAHELXXEFYENX-UHFFFAOYSA-N 2 0 338.499 3.453 20 0 EGADRP Clc1cccc(CN2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168366265 1383884443 /nfs/dbraw/zinc/88/44/43/1383884443.db2.gz MQEWTZLOYDLYEH-FQEVSTJZSA-N 2 0 347.934 3.378 20 0 EGADRP C[C@@]12CC3([NH3+])CC(NC4CC[NH+](CC5CC5)CC4)(C1)C[C@](C)(C3)C2 ZINC001168365707 1383884777 /nfs/dbraw/zinc/88/47/77/1383884777.db2.gz FKELBLMVYPUDLX-WHSGIHJSSA-N 2 0 331.548 3.281 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168390320 1383893450 /nfs/dbraw/zinc/89/34/50/1383893450.db2.gz GUWLBATVCAVWKS-GOSISDBHSA-N 2 0 327.516 3.067 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168438386 1383905897 /nfs/dbraw/zinc/90/58/97/1383905897.db2.gz AMXUOTCOUTXNIT-OAQYLSRUSA-N 2 0 347.522 3.033 20 0 EGADRP Nc1[nH+]ccn1Cc1ccccc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168550063 1383934532 /nfs/dbraw/zinc/93/45/32/1383934532.db2.gz XMWBFDKMHWYOHN-OAHLLOKOSA-N 2 0 333.439 3.098 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)CCO2)cc1 ZINC001168613660 1383948941 /nfs/dbraw/zinc/94/89/41/1383948941.db2.gz JODIFMXSSCKKCE-DMUMMCEESA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([N@H+](C)CCC[NH+]3CCCC3)CCO2)cc1 ZINC001168654849 1383959165 /nfs/dbraw/zinc/95/91/65/1383959165.db2.gz WJDRPTPRJCCFNR-ICSRJNTNSA-N 2 0 332.488 3.333 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC001168666483 1383964797 /nfs/dbraw/zinc/96/47/97/1383964797.db2.gz HGTLKSKXPVUSQE-FQEVSTJZSA-N 2 0 347.547 3.266 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CN1C(=O)OC(C)(C)C ZINC001168812079 1384015623 /nfs/dbraw/zinc/01/56/23/1384015623.db2.gz PPLVVAGYIPXMGR-UKRRQHHQSA-N 2 0 339.524 3.365 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168886140 1384046633 /nfs/dbraw/zinc/04/66/33/1384046633.db2.gz XOCMLLOINKHXFL-CVEARBPZSA-N 2 0 327.513 3.048 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093563 1384105804 /nfs/dbraw/zinc/10/58/04/1384105804.db2.gz IMSIUPWZWJIXLJ-XSDIEEQYSA-N 2 0 327.516 3.113 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001169137564 1384112087 /nfs/dbraw/zinc/11/20/87/1384112087.db2.gz DBBMTAMXSKATFN-REPLKXPHSA-N 2 0 348.494 3.169 20 0 EGADRP CC1(C)C[C@@H](Nc2ccc(CN3CC[NH2+]CC3)cc2)C[C@@](C)(C[NH3+])C1 ZINC001169141156 1384112647 /nfs/dbraw/zinc/11/26/47/1384112647.db2.gz AOXVQBDOVAZBMC-TZIWHRDSSA-N 2 0 344.547 3.047 20 0 EGADRP CN(C)c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001308247682 1384112727 /nfs/dbraw/zinc/11/27/27/1384112727.db2.gz ZTVJQJXRMMFPDQ-FQEVSTJZSA-N 2 0 337.511 3.407 20 0 EGADRP C[NH+]1CCN(c2ccc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2)CC1 ZINC001169143023 1384113589 /nfs/dbraw/zinc/11/35/89/1384113589.db2.gz JAVYXUGVVIIMFJ-GHTZIAJQSA-N 2 0 344.547 3.394 20 0 EGADRP CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144590 1384114009 /nfs/dbraw/zinc/11/40/09/1384114009.db2.gz KDCFGPDVQGVACF-MHTWAQMVSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001308368291 1384122632 /nfs/dbraw/zinc/12/26/32/1384122632.db2.gz RDRRGXLDFIGSFT-NVXWUHKLSA-N 2 0 326.488 3.316 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(Cc3ccccc3F)CCOCC2)CC1 ZINC001169241238 1384126515 /nfs/dbraw/zinc/12/65/15/1384126515.db2.gz QZQRSWVXPCMCLF-UHFFFAOYSA-N 2 0 334.479 3.239 20 0 EGADRP c1nc(CNc2ccc3c(c2)[nH]c2cc[nH+]cc23)c2n1CCC[NH2+]C2 ZINC001169243370 1384126626 /nfs/dbraw/zinc/12/66/26/1384126626.db2.gz JEMITMIDMCGZTN-UHFFFAOYSA-N 2 0 332.411 3.018 20 0 EGADRP CC[NH+]1CCC(n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)CC1 ZINC001169254081 1384128000 /nfs/dbraw/zinc/12/80/00/1384128000.db2.gz PTYGFNXCHZPAPI-UHFFFAOYSA-N 2 0 342.462 3.034 20 0 EGADRP C[N@@H+]1CC[C@]2(CC[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1 ZINC001169306323 1384134341 /nfs/dbraw/zinc/13/43/41/1384134341.db2.gz XVRUTZKERPJKBN-GRERDSQWSA-N 2 0 342.483 3.182 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCCCCCCCCC[NH3+])CO1 ZINC001169350186 1384138961 /nfs/dbraw/zinc/13/89/61/1384138961.db2.gz SXOMJOAVLDFNMU-ZWKOTPCHSA-N 2 0 342.524 3.156 20 0 EGADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001308684233 1384142157 /nfs/dbraw/zinc/14/21/57/1384142157.db2.gz QUZBDYRWINLOJK-DLBZAZTESA-N 2 0 347.503 3.266 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001169434596 1384147918 /nfs/dbraw/zinc/14/79/18/1384147918.db2.gz JENFPDRTZJZZJU-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CN(C)c1nc(Cl)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC001308882180 1384157034 /nfs/dbraw/zinc/15/70/34/1384157034.db2.gz MOZIAYUDSGKBHC-UHFFFAOYSA-N 2 0 342.940 3.074 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c[nH+]ccc1N1CCOCC1 ZINC001169698503 1384174704 /nfs/dbraw/zinc/17/47/04/1384174704.db2.gz RGRYKEBGONQPDH-KRWDZBQOSA-N 2 0 338.455 3.158 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001169798644 1384187087 /nfs/dbraw/zinc/18/70/87/1384187087.db2.gz PIZLMXLHTJRREN-FXAWDEMLSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169811113 1384188200 /nfs/dbraw/zinc/18/82/00/1384188200.db2.gz TYPWEJJCEHBWQA-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170001444 1384214383 /nfs/dbraw/zinc/21/43/83/1384214383.db2.gz IXQFEEFOTRMYJI-UHFFFAOYSA-N 2 0 325.541 3.449 20 0 EGADRP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)C1 ZINC001170145027 1384247810 /nfs/dbraw/zinc/24/78/10/1384247810.db2.gz RMCJOPTZVQROQW-ICSRJNTNSA-N 2 0 343.515 3.185 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)CCO1 ZINC001170159690 1384251539 /nfs/dbraw/zinc/25/15/39/1384251539.db2.gz BUMLACDOMPDPHV-HUUCEWRRSA-N 2 0 326.506 3.122 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001170413050 1384311417 /nfs/dbraw/zinc/31/14/17/1384311417.db2.gz UDCFLHUSAITDGY-SFHVURJKSA-N 2 0 332.488 3.446 20 0 EGADRP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)C[C@@H]21 ZINC001170726376 1384374094 /nfs/dbraw/zinc/37/40/94/1384374094.db2.gz DORJGWNKJXZNCY-YXOJAJARSA-N 2 0 345.575 3.349 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CC1CC(C)C1 ZINC001170876739 1384402957 /nfs/dbraw/zinc/40/29/57/1384402957.db2.gz NNZSRHBOKRDERW-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP NC(=[NH2+])SCCSC(=[NH2+])N[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170901453 1384407964 /nfs/dbraw/zinc/40/79/64/1384407964.db2.gz CHINRXCXRHCYQZ-SNVBAGLBSA-N 2 0 342.921 3.082 20 0 EGADRP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)CC2 ZINC001170910318 1384409716 /nfs/dbraw/zinc/40/97/16/1384409716.db2.gz DURNYLOLNQONDY-BZSNNMDCSA-N 2 0 348.918 3.430 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)c1sccc1C[NH+](C)C ZINC001171069337 1384440807 /nfs/dbraw/zinc/44/08/07/1384440807.db2.gz PVUKFEAGEKVMNS-AWEZNQCLSA-N 2 0 337.533 3.098 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171120524 1384449871 /nfs/dbraw/zinc/44/98/71/1384449871.db2.gz NRHPFZCZEMMCEW-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171236512 1384476398 /nfs/dbraw/zinc/47/63/98/1384476398.db2.gz NGICEQQOODSRPA-MOPGFXCFSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171235706 1384476602 /nfs/dbraw/zinc/47/66/02/1384476602.db2.gz IUGQWXJMHWMYOB-RBUKOAKNSA-N 2 0 337.552 3.195 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248702 1384477952 /nfs/dbraw/zinc/47/79/52/1384477952.db2.gz YEXGKRBXTCUOND-SUVIQUNHSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248956 1384478743 /nfs/dbraw/zinc/47/87/43/1384478743.db2.gz ZHWSPRFNRKQZFU-VQIMIIECSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171328428 1384495580 /nfs/dbraw/zinc/49/55/80/1384495580.db2.gz JEZFHPFBCYVCRN-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001316708719 1384533099 /nfs/dbraw/zinc/53/30/99/1384533099.db2.gz OEBJEWJABAYRGM-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509397 1384546385 /nfs/dbraw/zinc/54/63/85/1384546385.db2.gz OXVWHYZMIYAPDK-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171520837 1384549517 /nfs/dbraw/zinc/54/95/17/1384549517.db2.gz PWTHUNKGHKNNOL-MGPQQGTHSA-N 2 0 326.406 3.424 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171538194 1384556191 /nfs/dbraw/zinc/55/61/91/1384556191.db2.gz KRAZJIOCDYHGGM-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)C2 ZINC001171557492 1384561361 /nfs/dbraw/zinc/56/13/61/1384561361.db2.gz UBQGJYPLLAXKDZ-AEFFLSMTSA-N 2 0 347.503 3.032 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC1(C)C ZINC001171622962 1384582926 /nfs/dbraw/zinc/58/29/26/1384582926.db2.gz FJSNJIRHMCKQMK-UHFFFAOYSA-N 2 0 347.503 3.125 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(C3OCCO3)cc2)CC1(C)C ZINC001171626039 1384584671 /nfs/dbraw/zinc/58/46/71/1384584671.db2.gz TZDUPALKEHXASC-UHFFFAOYSA-N 2 0 332.488 3.473 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC1(C)C ZINC001171637909 1384587573 /nfs/dbraw/zinc/58/75/73/1384587573.db2.gz SAOZFINNSHUCCM-QGZVFWFLSA-N 2 0 335.536 3.115 20 0 EGADRP Cc1cncnc1O[C@H]1CCC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641905 1384589894 /nfs/dbraw/zinc/58/98/94/1384589894.db2.gz VQGMBCGWNOQOHL-KRWDZBQOSA-N 2 0 346.519 3.280 20 0 EGADRP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC001171730414 1384617152 /nfs/dbraw/zinc/61/71/52/1384617152.db2.gz YQMQOYZTDNCEFS-GDBMZVCRSA-N 2 0 326.419 3.189 20 0 EGADRP CC[NH+](CC)C1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171765817 1384629487 /nfs/dbraw/zinc/62/94/87/1384629487.db2.gz ZOMBYNNPJNZVQW-WIYYLYMNSA-N 2 0 329.532 3.456 20 0 EGADRP C[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171769577 1384630770 /nfs/dbraw/zinc/63/07/70/1384630770.db2.gz UOEPNTSVOJUPLV-BVOGOJNSSA-N 2 0 345.506 3.158 20 0 EGADRP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171784731 1384635484 /nfs/dbraw/zinc/63/54/84/1384635484.db2.gz GRPJOBQOJKZIAS-QGZVFWFLSA-N 2 0 328.406 3.382 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+]([C@@H]2Cc3cccc(F)c3C2)C2CCOCC2)CC1 ZINC001171786606 1384636288 /nfs/dbraw/zinc/63/62/88/1384636288.db2.gz CHHIFRPYZZFODA-JFIYKMOQSA-N 2 0 332.463 3.044 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001171788200 1384637316 /nfs/dbraw/zinc/63/73/16/1384637316.db2.gz YXVNBNWNXHYCHU-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C)(C)C(C)(C)[NH3+])CC12CCC2 ZINC001171837177 1384656703 /nfs/dbraw/zinc/65/67/03/1384656703.db2.gz ATNZLSLIXLBPBK-AWEZNQCLSA-N 2 0 339.524 3.414 20 0 EGADRP [NH3+]CCC1CCC([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171877108 1384668515 /nfs/dbraw/zinc/66/85/15/1384668515.db2.gz JYBPCHLDTKYFHE-SKINQDTJSA-N 2 0 343.515 3.179 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171925106 1384684897 /nfs/dbraw/zinc/68/48/97/1384684897.db2.gz ZFCUAQSMKJWUJA-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)N(CCC[NH3+])CCC[NH+](C)C ZINC001171961267 1384696377 /nfs/dbraw/zinc/69/63/77/1384696377.db2.gz UVAWJUJZGKWFHA-HNNXBMFYSA-N 2 0 345.453 3.239 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171963539 1384697008 /nfs/dbraw/zinc/69/70/08/1384697008.db2.gz IBFZKKXPYXPMCO-FQEVSTJZSA-N 3 0 329.532 3.361 20 0 EGADRP CC1(C)C[C@H](N2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985775 1384703844 /nfs/dbraw/zinc/70/38/44/1384703844.db2.gz ZQFJIVXGRANGPX-UXHICEINSA-N 2 0 327.516 3.210 20 0 EGADRP COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171989237 1384706557 /nfs/dbraw/zinc/70/65/57/1384706557.db2.gz BDSCLPWHDGWQIM-UHOSZYNNSA-N 2 0 344.499 3.171 20 0 EGADRP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[N@H+]1C ZINC001171988120 1384706646 /nfs/dbraw/zinc/70/66/46/1384706646.db2.gz OTEMUSSCSQEGHO-NSHGMRRFSA-N 2 0 329.532 3.454 20 0 EGADRP CCOC(=O)[C@@H](C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065001 1384716769 /nfs/dbraw/zinc/71/67/69/1384716769.db2.gz GYZAWOYPEQZPKO-FFGOWVMKSA-N 2 0 344.499 3.361 20 0 EGADRP OC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172070018 1384718187 /nfs/dbraw/zinc/71/81/87/1384718187.db2.gz ZXIZSZIPZIITIP-ACDBMABISA-N 2 0 328.500 3.467 20 0 EGADRP CC(=O)NCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078331 1384721579 /nfs/dbraw/zinc/72/15/79/1384721579.db2.gz YMRMHXKVKYELRY-MZADTFQBSA-N 2 0 343.515 3.078 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098183 1384726362 /nfs/dbraw/zinc/72/63/62/1384726362.db2.gz BJVBILOGSZJMBA-FVQHAEBGSA-N 2 0 327.472 3.339 20 0 EGADRP Cc1cccnc1C1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC001172111325 1384729070 /nfs/dbraw/zinc/72/90/70/1384729070.db2.gz QDVBNFVKCYCMIW-REPLKXPHSA-N 2 0 343.515 3.043 20 0 EGADRP COCC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC(F)(F)CC1 ZINC001172109547 1384729858 /nfs/dbraw/zinc/72/98/58/1384729858.db2.gz DYSRDSBHKYRYRW-PHZGNYQRSA-N 2 0 330.463 3.433 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](Nc1ccc(Br)cc1C[NH3+])C2 ZINC001172112675 1384731169 /nfs/dbraw/zinc/73/11/69/1384731169.db2.gz ZBHDUQNJDIKEQY-QDMKHBRRSA-N 2 0 338.293 3.335 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172113571 1384731645 /nfs/dbraw/zinc/73/16/45/1384731645.db2.gz KMWUYYYXDKJPTP-WLRLJWMZSA-N 2 0 331.548 3.412 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129039 1384738319 /nfs/dbraw/zinc/73/83/19/1384738319.db2.gz VPEZSNRDKADKLI-BJWYYQGGSA-N 2 0 349.519 3.087 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316983968 1384741588 /nfs/dbraw/zinc/74/15/88/1384741588.db2.gz ZADDRFVMUTWWRM-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001316987765 1384744093 /nfs/dbraw/zinc/74/40/93/1384744093.db2.gz VKJIYFXWMROQSC-VQTJNVASSA-N 2 0 345.531 3.114 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234909 1384753471 /nfs/dbraw/zinc/75/34/71/1384753471.db2.gz PGNQGPRWSVSSSQ-LJRDSGNISA-N 2 0 330.447 3.384 20 0 EGADRP [NH3+]C1(Cc2ccccc2Cl)CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235615 1384753772 /nfs/dbraw/zinc/75/37/72/1384753772.db2.gz WECZYNDVOLBKKP-ALOPSCKCSA-N 2 0 332.875 3.162 20 0 EGADRP COCCC[NH+]1CCC(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC001172243958 1384754976 /nfs/dbraw/zinc/75/49/76/1384754976.db2.gz JYZRKTZJHKXOJN-UHFFFAOYSA-N 2 0 333.520 3.271 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC(C)(C)Cc2ccccc2F)CC1 ZINC001172248448 1384755850 /nfs/dbraw/zinc/75/58/50/1384755850.db2.gz IGEZIHVNXHDKTP-UHFFFAOYSA-N 2 0 336.495 3.485 20 0 EGADRP COc1cccc(C[N@H+]([C@@H]2COC(C)(C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172282838 1384759053 /nfs/dbraw/zinc/75/90/53/1384759053.db2.gz UYWMTULDGUHHFM-BZSNNMDCSA-N 2 0 332.488 3.335 20 0 EGADRP CCCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC(C)C)CC1 ZINC001317007409 1384770594 /nfs/dbraw/zinc/77/05/94/1384770594.db2.gz ZEWOIZWRWUERDJ-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001172325341 1384770746 /nfs/dbraw/zinc/77/07/46/1384770746.db2.gz UNTFGHDYIHGTTD-MOPGFXCFSA-N 2 0 348.531 3.197 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172330394 1384771279 /nfs/dbraw/zinc/77/12/79/1384771279.db2.gz LPCVMSUKUMKEJZ-JKSUJKDBSA-N 2 0 336.524 3.135 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172379909 1384782117 /nfs/dbraw/zinc/78/21/17/1384782117.db2.gz UHIZKGNUVRKQLQ-CXUGJCBMSA-N 2 0 334.548 3.491 20 0 EGADRP COC1CC[NH+](C2CC[NH+]([C@@H](C)CCOCC(C)C)CC2)CC1 ZINC001172482480 1384803000 /nfs/dbraw/zinc/80/30/00/1384803000.db2.gz ZLXGXFHUKDLXNC-KRWDZBQOSA-N 2 0 326.525 3.013 20 0 EGADRP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C2CC(C)(C)OC(C)(C)C2)c1 ZINC001172661441 1384829225 /nfs/dbraw/zinc/82/92/25/1384829225.db2.gz VFEDLAVNYRXQED-UHFFFAOYSA-N 2 0 347.503 3.385 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172752157 1384844247 /nfs/dbraw/zinc/84/42/47/1384844247.db2.gz MSUVJHBITOIOOY-MRXNPFEDSA-N 2 0 326.525 3.454 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001317093445 1384854742 /nfs/dbraw/zinc/85/47/42/1384854742.db2.gz QWAFLKQBRQAFGR-GUDVDZBRSA-N 2 0 343.515 3.169 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172866765 1384868298 /nfs/dbraw/zinc/86/82/98/1384868298.db2.gz XETYKKNHXMOHRK-ZDUSSCGKSA-N 2 0 340.870 3.111 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001172946956 1384885986 /nfs/dbraw/zinc/88/59/86/1384885986.db2.gz BBNJBPNZGWJLGE-OAHLLOKOSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001172953560 1384888818 /nfs/dbraw/zinc/88/88/18/1384888818.db2.gz BRAVMKMMTYRQPJ-HNNXBMFYSA-N 2 0 339.524 3.225 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172974493 1384893856 /nfs/dbraw/zinc/89/38/56/1384893856.db2.gz KJDUFANCLSOLOD-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH3+])CN1C(=O)OC(C)(C)C ZINC001173054029 1384901820 /nfs/dbraw/zinc/90/18/20/1384901820.db2.gz UZAMVIIYZXKNKV-WMLDXEAASA-N 2 0 333.476 3.023 20 0 EGADRP CCCOC1CCC([NH2+][C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001173092866 1384912244 /nfs/dbraw/zinc/91/22/44/1384912244.db2.gz GOTWUUYIPONDHZ-HNZUOSPBSA-N 2 0 328.500 3.444 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2(C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173105859 1384915560 /nfs/dbraw/zinc/91/55/60/1384915560.db2.gz XLRIECSOHGLAHU-UHFFFAOYSA-N 2 0 339.524 3.238 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(-n3cccn3)nc2)CC1 ZINC001173107806 1384916075 /nfs/dbraw/zinc/91/60/75/1384916075.db2.gz OACPOPMWGWAFHZ-UHFFFAOYSA-N 2 0 327.476 3.010 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(C(=O)C3CCC3)CC2)CC1 ZINC001173106759 1384916480 /nfs/dbraw/zinc/91/64/80/1384916480.db2.gz DVHKZLXBRVRIEN-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)CC1 ZINC001173114049 1384917537 /nfs/dbraw/zinc/91/75/37/1384917537.db2.gz UNPFVPLTDJHXOL-AFMYVXGZSA-N 2 0 344.499 3.412 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001173114402 1384917837 /nfs/dbraw/zinc/91/78/37/1384917837.db2.gz ISCXAEZARYGSMP-UHFFFAOYSA-N 2 0 341.543 3.457 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001317154281 1384919842 /nfs/dbraw/zinc/91/98/42/1384919842.db2.gz VNYSHGSVZPZDCN-RTBURBONSA-N 2 0 335.536 3.045 20 0 EGADRP CCc1ccc(C[C@@H](C)[NH+]2CCN(CC[NH+](CC)CC)CC2)cc1 ZINC001173253931 1384945553 /nfs/dbraw/zinc/94/55/53/1384945553.db2.gz YCFJGHJLLKGGNB-LJQANCHMSA-N 2 0 331.548 3.139 20 0 EGADRP CCSC[C@H](C)[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001173293639 1384952840 /nfs/dbraw/zinc/95/28/40/1384952840.db2.gz GGFQFJDAVJEHOK-WDSOQIARSA-N 2 0 339.593 3.056 20 0 EGADRP CCSC[C@@H](C)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001173298298 1384953555 /nfs/dbraw/zinc/95/35/55/1384953555.db2.gz NGZKXZWTCQOGSX-QRIPLOBPSA-N 2 0 326.490 3.264 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001317196321 1384970074 /nfs/dbraw/zinc/97/00/74/1384970074.db2.gz TVWDLJRIPCDCKL-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([N@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173606510 1384987314 /nfs/dbraw/zinc/98/73/14/1384987314.db2.gz LJIHCCKAYNGRHC-BPYPNEQRSA-N 2 0 336.520 3.479 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001173708427 1385006225 /nfs/dbraw/zinc/00/62/25/1385006225.db2.gz HYINVPHRPQIAFY-KSZLIROESA-N 2 0 346.515 3.362 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001317260043 1385030039 /nfs/dbraw/zinc/03/00/39/1385030039.db2.gz ZQWABRTWVWJNTI-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)cs1 ZINC001317349493 1385099182 /nfs/dbraw/zinc/09/91/82/1385099182.db2.gz GPHBKIPCGGESAO-IAGOWNOFSA-N 2 0 349.544 3.058 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1ccc(Nc2cc[nH+]c(C)c2)cc1 ZINC001174656556 1385131203 /nfs/dbraw/zinc/13/12/03/1385131203.db2.gz FIDSSNKMGNKAIE-UHFFFAOYSA-N 2 0 327.428 3.054 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906700 1385168652 /nfs/dbraw/zinc/16/86/52/1385168652.db2.gz WUCKBIDURUDBCP-QYZOEREBSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](CCCC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CCC[NH+](C)C ZINC001174947431 1385172661 /nfs/dbraw/zinc/17/26/61/1385172661.db2.gz AWMYBIVFVVSSRV-JKSUJKDBSA-N 2 0 347.494 3.028 20 0 EGADRP CCCC[N@H+](CCCN1CCOC1=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174985279 1385178652 /nfs/dbraw/zinc/17/86/52/1385178652.db2.gz YWXXDTXMFQMZFE-UHFFFAOYSA-N 2 0 339.524 3.240 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)cc1C ZINC001175048879 1385186066 /nfs/dbraw/zinc/18/60/66/1385186066.db2.gz MFPRHLXRKCXDFJ-SFHVURJKSA-N 2 0 333.520 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001175049002 1385186127 /nfs/dbraw/zinc/18/61/27/1385186127.db2.gz MYYLUHMYSISLKU-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175048047 1385186143 /nfs/dbraw/zinc/18/61/43/1385186143.db2.gz FQBBRTGIXJWDNT-MSOLQXFVSA-N 2 0 339.568 3.275 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175107800 1385196105 /nfs/dbraw/zinc/19/61/05/1385196105.db2.gz QAMHLDHMGNRPIB-ICUWKNINSA-N 2 0 325.541 3.194 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257179 1385230935 /nfs/dbraw/zinc/23/09/35/1385230935.db2.gz WCUAOUSCFQENIN-MSOLQXFVSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175264674 1385234155 /nfs/dbraw/zinc/23/41/55/1385234155.db2.gz UJQJRNAWJUEENY-VQIMIIECSA-N 2 0 343.531 3.120 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175272256 1385237243 /nfs/dbraw/zinc/23/72/43/1385237243.db2.gz ITJNHFWKEOEVPO-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175274013 1385238262 /nfs/dbraw/zinc/23/82/62/1385238262.db2.gz ZZIXKJPRZSJSDI-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001317530384 1385254894 /nfs/dbraw/zinc/25/48/94/1385254894.db2.gz WXHFQPJAPWSMGD-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175565335 1385333679 /nfs/dbraw/zinc/33/36/79/1385333679.db2.gz JLXWUVYRKACNRI-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581817 1385339903 /nfs/dbraw/zinc/33/99/03/1385339903.db2.gz UBILFPPNBYTEBM-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317623111 1385357953 /nfs/dbraw/zinc/35/79/53/1385357953.db2.gz KVBAEUKQBBWBMD-FUHWJXTLSA-N 2 0 349.494 3.057 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)C(C)C ZINC001175745733 1385394047 /nfs/dbraw/zinc/39/40/47/1385394047.db2.gz FHFVDPKGQAVGPU-YWXYRXPLSA-N 2 0 345.959 3.370 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(Nc2cc[nH+]c(C(C)(C)C)c2)cc1 ZINC001175807657 1385410898 /nfs/dbraw/zinc/41/08/98/1385410898.db2.gz CDOVZOBSIYUKRI-UHFFFAOYSA-N 2 0 340.471 3.414 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874125 1385427760 /nfs/dbraw/zinc/42/77/60/1385427760.db2.gz QGMHFNIZVCRNNE-SFHVURJKSA-N 2 0 343.531 3.123 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[C@@H](C)C1 ZINC001317747416 1385435753 /nfs/dbraw/zinc/43/57/53/1385435753.db2.gz TWBWPVWGUVRTBI-WCIQWLHISA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)CC1 ZINC001175967519 1385447520 /nfs/dbraw/zinc/44/75/20/1385447520.db2.gz KGIAPBDFOLAQTQ-DHINHOHASA-N 2 0 343.943 3.124 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967592 1385447833 /nfs/dbraw/zinc/44/78/33/1385447833.db2.gz MACHTDLUVWCMEE-AEFFLSMTSA-N 2 0 343.531 3.120 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176111063 1385486182 /nfs/dbraw/zinc/48/61/82/1385486182.db2.gz FPWJMDXIFNHPSL-NQIIRXRSSA-N 2 0 347.547 3.384 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176110625 1385486298 /nfs/dbraw/zinc/48/62/98/1385486298.db2.gz ACYBCTJBHNGLRU-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164352 1385499833 /nfs/dbraw/zinc/49/98/33/1385499833.db2.gz BCSAWRKJBYLSAU-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164353 1385499929 /nfs/dbraw/zinc/49/99/29/1385499929.db2.gz BCSAWRKJBYLSAU-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)CCCC[NH+](C)C ZINC001176229786 1385520195 /nfs/dbraw/zinc/52/01/95/1385520195.db2.gz AVAXHAZPJBTRMZ-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231321 1385521710 /nfs/dbraw/zinc/52/17/10/1385521710.db2.gz UGXLFZQHAHHVIQ-GOSISDBHSA-N 2 0 327.557 3.419 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176284189 1385538314 /nfs/dbraw/zinc/53/83/14/1385538314.db2.gz CWYAYOPTGLMFPC-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001176317219 1385550062 /nfs/dbraw/zinc/55/00/62/1385550062.db2.gz DDUTZXYWRXMYED-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+]CCC1CCCCC1 ZINC001176318134 1385550157 /nfs/dbraw/zinc/55/01/57/1385550157.db2.gz KMNBMYHJJMZNEL-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001317876046 1385555071 /nfs/dbraw/zinc/55/50/71/1385555071.db2.gz RYOWYMBZTSZEIT-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001317879381 1385557917 /nfs/dbraw/zinc/55/79/17/1385557917.db2.gz BTEHUQZODLOHCA-KRWDZBQOSA-N 2 0 339.568 3.181 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176754145 1385683800 /nfs/dbraw/zinc/68/38/00/1385683800.db2.gz RRQBGLAOBFWXAN-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176753609 1385684271 /nfs/dbraw/zinc/68/42/71/1385684271.db2.gz IXJAYVYMSPQQCI-MSOLQXFVSA-N 2 0 325.541 3.170 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001176754673 1385685181 /nfs/dbraw/zinc/68/51/81/1385685181.db2.gz XTPNJVPPZCWITO-SFHVURJKSA-N 2 0 333.520 3.100 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760072 1385686921 /nfs/dbraw/zinc/68/69/21/1385686921.db2.gz POCIEZYUZWYIAV-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001176844914 1385722046 /nfs/dbraw/zinc/72/20/46/1385722046.db2.gz ORIHPRGKSBJVJO-ROUUACIJSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176857652 1385725115 /nfs/dbraw/zinc/72/51/15/1385725115.db2.gz YACKYEKEKOBUIW-CALCHBBNSA-N 2 0 343.515 3.033 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001176930332 1385746708 /nfs/dbraw/zinc/74/67/08/1385746708.db2.gz GXUVRBNBFBRYHI-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948206 1385751552 /nfs/dbraw/zinc/75/15/52/1385751552.db2.gz KJJKPZZDMDBIEF-SREVYHEPSA-N 2 0 331.504 3.204 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001176998974 1385768830 /nfs/dbraw/zinc/76/88/30/1385768830.db2.gz OCTITKYXMVKNOX-UYAOXDASSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001176997580 1385769017 /nfs/dbraw/zinc/76/90/17/1385769017.db2.gz SJBJKBXOLMGCIJ-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001177319438 1385912835 /nfs/dbraw/zinc/91/28/35/1385912835.db2.gz LCBLQRMYWARKET-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)CC[N@@H+]1C ZINC001177328545 1385915864 /nfs/dbraw/zinc/91/58/64/1385915864.db2.gz NTQIQJAOMJXSAG-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001177331452 1385917454 /nfs/dbraw/zinc/91/74/54/1385917454.db2.gz JNFKUKRMZCBSII-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001177348890 1385923886 /nfs/dbraw/zinc/92/38/86/1385923886.db2.gz QCFVTVYMGOOSEN-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001177365992 1385930996 /nfs/dbraw/zinc/93/09/96/1385930996.db2.gz NPXHRAQEQICBOJ-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177477769 1385971377 /nfs/dbraw/zinc/97/13/77/1385971377.db2.gz LXWKBWJZWIJDMR-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177484642 1385974300 /nfs/dbraw/zinc/97/43/00/1385974300.db2.gz HDMHVTGBWNONJH-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319209185 1386006730 /nfs/dbraw/zinc/00/67/30/1386006730.db2.gz NJHHIOXIPNRNEY-FXAWDEMLSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CC1CCCCC1 ZINC001319286418 1386043581 /nfs/dbraw/zinc/04/35/81/1386043581.db2.gz WAIGDDSJOFJLLM-QGZVFWFLSA-N 2 0 345.531 3.284 20 0 EGADRP CCC[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001177790318 1386045805 /nfs/dbraw/zinc/04/58/05/1386045805.db2.gz BIKTWZYALBYQAC-VQTJNVASSA-N 2 0 329.532 3.328 20 0 EGADRP CCC[C@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001177790319 1386046017 /nfs/dbraw/zinc/04/60/17/1386046017.db2.gz BIKTWZYALBYQAC-WOJBJXKFSA-N 2 0 329.532 3.328 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNCc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC001177811140 1386053614 /nfs/dbraw/zinc/05/36/14/1386053614.db2.gz TYOPIBKOOWGZIZ-MRXNPFEDSA-N 2 0 326.488 3.367 20 0 EGADRP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001319383972 1386094933 /nfs/dbraw/zinc/09/49/33/1386094933.db2.gz PTIAVLHSQGKADK-QGZVFWFLSA-N 2 0 339.483 3.298 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCCC2)c1 ZINC001319389867 1386099164 /nfs/dbraw/zinc/09/91/64/1386099164.db2.gz SHMLBXVEXCKXOC-IEBWSBKVSA-N 2 0 343.515 3.026 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC001178248594 1386171222 /nfs/dbraw/zinc/17/12/22/1386171222.db2.gz DGKIFEWUBHQDIF-QZTJIDSGSA-N 2 0 331.504 3.361 20 0 EGADRP CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(CF)cc2)CCCC1)[NH+](C)C ZINC001698635212 1406280309 /nfs/dbraw/zinc/28/03/09/1406280309.db2.gz HULNQGJUBMKOEO-SFHVURJKSA-N 2 0 349.494 3.015 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483644 1386231143 /nfs/dbraw/zinc/23/11/43/1386231143.db2.gz HCXBKGAMQZNCBP-VQTJNVASSA-N 2 0 349.563 3.317 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178612284 1386262506 /nfs/dbraw/zinc/26/25/06/1386262506.db2.gz QYAXZERXQXBORN-QGZVFWFLSA-N 2 0 349.510 3.072 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001319709347 1386263207 /nfs/dbraw/zinc/26/32/07/1386263207.db2.gz ILTXXMWWBFOFIG-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698642 1386281328 /nfs/dbraw/zinc/28/13/28/1386281328.db2.gz PMSXOPFWMQSWCE-LIXSYLKWSA-N 2 0 337.552 3.339 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)c(C)n1 ZINC001319753888 1386281806 /nfs/dbraw/zinc/28/18/06/1386281806.db2.gz NEDKJUWLKSRPOA-QGZVFWFLSA-N 2 0 338.499 3.301 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC001319762934 1386284763 /nfs/dbraw/zinc/28/47/63/1386284763.db2.gz KJJSTAMNKJOQQO-AZUAARDMSA-N 2 0 327.516 3.497 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178729366 1386291686 /nfs/dbraw/zinc/29/16/86/1386291686.db2.gz VMXYFUJWGZQZMS-HXUWFJFHSA-N 2 0 345.531 3.327 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001178755267 1386294873 /nfs/dbraw/zinc/29/48/73/1386294873.db2.gz PDVDEKGSTYGXDB-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810576 1386314452 /nfs/dbraw/zinc/31/44/52/1386314452.db2.gz HBJQTYGFBNZERR-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178833379 1386322653 /nfs/dbraw/zinc/32/26/53/1386322653.db2.gz TXOKZCGQHQTXII-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1c(C(=O)NCCCCCC[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001178907846 1386344950 /nfs/dbraw/zinc/34/49/50/1386344950.db2.gz ALJKMHYYFKZFLJ-UHFFFAOYSA-N 2 0 330.476 3.179 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178921071 1386350307 /nfs/dbraw/zinc/35/03/07/1386350307.db2.gz VHCLDQUHXFFXPW-VMSUTVGLSA-N 2 0 343.943 3.126 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925853 1386350994 /nfs/dbraw/zinc/35/09/94/1386350994.db2.gz KYEAHLTYVHLEAA-TYTUHHLSSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(NCCCCCC[NH2+]Cc1ccsc1)C12CCC[NH+]1CCC2 ZINC001178943200 1386356566 /nfs/dbraw/zinc/35/65/66/1386356566.db2.gz OHLSANLNVHYXJP-UHFFFAOYSA-N 2 0 349.544 3.143 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001179134262 1386407405 /nfs/dbraw/zinc/40/74/05/1386407405.db2.gz JSFCZXSSAYWAQC-UHFFFAOYSA-N 2 0 325.541 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2-n2nnc3ccccc32)C1 ZINC001179160026 1386413818 /nfs/dbraw/zinc/41/38/18/1386413818.db2.gz SLECQMSFEXBNLO-KRWDZBQOSA-N 2 0 349.482 3.242 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239201 1386428974 /nfs/dbraw/zinc/42/89/74/1386428974.db2.gz WNNQZDVPYBJZMV-VDZMMWBESA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179239054 1386429113 /nfs/dbraw/zinc/42/91/13/1386429113.db2.gz OOIAPMZHWKIEQR-WMZOPIPTSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001179358114 1386462655 /nfs/dbraw/zinc/46/26/55/1386462655.db2.gz VYKQLUVISDLXCH-SFHVURJKSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001179375348 1386467001 /nfs/dbraw/zinc/46/70/01/1386467001.db2.gz OHOPWIUPYJJNMW-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179382902 1386468070 /nfs/dbraw/zinc/46/80/70/1386468070.db2.gz FBISKFNKSCVOCY-DSQZMVHQSA-N 2 0 337.552 3.339 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388775 1386472320 /nfs/dbraw/zinc/47/23/20/1386472320.db2.gz QVFKZZLIAARWBU-COLAKMGYSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001179439118 1386483300 /nfs/dbraw/zinc/48/33/00/1386483300.db2.gz GLRPBAVMZBUPDN-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001179464548 1386488722 /nfs/dbraw/zinc/48/87/22/1386488722.db2.gz XNQIPVHXZDBRGP-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001179498806 1386499474 /nfs/dbraw/zinc/49/94/74/1386499474.db2.gz HUXIZLHACFSIIF-LJQANCHMSA-N 2 0 337.552 3.339 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550558 1386511724 /nfs/dbraw/zinc/51/17/24/1386511724.db2.gz ZUUUEQMXMDWHLG-VCVRMXLYSA-N 2 0 337.552 3.290 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001179549536 1386512160 /nfs/dbraw/zinc/51/21/60/1386512160.db2.gz DCWGCMKWDOCKMG-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCn2ccnc2C(C)C)[C@H]1C ZINC001179650994 1386540451 /nfs/dbraw/zinc/54/04/51/1386540451.db2.gz BEZCXQBAUOIGAC-WMZOPIPTSA-N 2 0 348.535 3.412 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001179746214 1386569826 /nfs/dbraw/zinc/56/98/26/1386569826.db2.gz QZCUWVFMYAZYRQ-ZWKOTPCHSA-N 2 0 343.531 3.264 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788144 1386585698 /nfs/dbraw/zinc/58/56/98/1386585698.db2.gz OERLNLRHYRRRQN-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001179846594 1386606035 /nfs/dbraw/zinc/60/60/35/1386606035.db2.gz NRIZEYTVCDKIQW-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C ZINC001180100199 1386696918 /nfs/dbraw/zinc/69/69/18/1386696918.db2.gz BITOCGZYDCQREB-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180157012 1386716844 /nfs/dbraw/zinc/71/68/44/1386716844.db2.gz QJFSYTVPQBSXLV-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180259777 1386748256 /nfs/dbraw/zinc/74/82/56/1386748256.db2.gz MGBYWBFNQBHEPY-RTBURBONSA-N 2 0 345.531 3.274 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001180264823 1386750001 /nfs/dbraw/zinc/75/00/01/1386750001.db2.gz LJVWOZNCFBMCSG-UYAOXDASSA-N 2 0 345.531 3.274 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCCCCC[NH2+]CC1CCCC1 ZINC001180366104 1386776042 /nfs/dbraw/zinc/77/60/42/1386776042.db2.gz ZFAKCQAYAWGKOL-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180372582 1386777681 /nfs/dbraw/zinc/77/76/81/1386777681.db2.gz DAAQTXQHRNOOTK-MOPGFXCFSA-N 2 0 339.568 3.419 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180372562 1386777851 /nfs/dbraw/zinc/77/78/51/1386777851.db2.gz BSSHIFVLJUXIII-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1nc(Br)ccc1F ZINC001321133867 1386818681 /nfs/dbraw/zinc/81/86/81/1386818681.db2.gz UFOVEYPSSOTHSJ-LLVKDONJSA-N 2 0 344.272 3.366 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CCC[C@H]3CCCF)c2)CC1 ZINC001321267081 1386861516 /nfs/dbraw/zinc/86/15/16/1386861516.db2.gz HSLFKZHZDMUHAO-SFTDATJTSA-N 2 0 347.522 3.442 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)CC34CCC[NH+]3CCC4)cc2)CC1 ZINC001181108427 1386938225 /nfs/dbraw/zinc/93/82/25/1386938225.db2.gz BMOVZVJRXFZNFS-UHFFFAOYSA-N 2 0 341.499 3.453 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525637 1387010007 /nfs/dbraw/zinc/01/00/07/1387010007.db2.gz PEWSFSGUBZHKPP-LCFCGBBDSA-N 2 0 349.563 3.147 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181671009 1387035556 /nfs/dbraw/zinc/03/55/56/1387035556.db2.gz HFSXERXOGJIEQH-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001322041947 1387037003 /nfs/dbraw/zinc/03/70/03/1387037003.db2.gz MJBDESSLAVRVLA-RBZFPXEDSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@H+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001322067979 1387044298 /nfs/dbraw/zinc/04/42/98/1387044298.db2.gz CMKURHRUNNFKIQ-MRXNPFEDSA-N 2 0 339.911 3.227 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@]1(C)C[NH2+]CC1CC1 ZINC001181958658 1387082670 /nfs/dbraw/zinc/08/26/70/1387082670.db2.gz DODHRHNFMHASHI-IIBYNOLFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322245114 1387118088 /nfs/dbraw/zinc/11/80/88/1387118088.db2.gz TXONASAQLWWWOC-HGZMWJMZSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322267942 1387128849 /nfs/dbraw/zinc/12/88/49/1387128849.db2.gz AGYCUPHZQZPEEL-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322268686 1387129771 /nfs/dbraw/zinc/12/97/71/1387129771.db2.gz GFJHPJPTIUSLDI-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001322274950 1387134702 /nfs/dbraw/zinc/13/47/02/1387134702.db2.gz RZDYBNPZKMBCRT-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589525 1387192421 /nfs/dbraw/zinc/19/24/21/1387192421.db2.gz HEQHMOJTPDIIBJ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001329549521 1389152207 /nfs/dbraw/zinc/15/22/07/1389152207.db2.gz JZMRJTIHAMZUFK-ROUUACIJSA-N 2 0 347.547 3.470 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001329570169 1389160387 /nfs/dbraw/zinc/16/03/87/1389160387.db2.gz CJEGAPPLKSPINQ-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001329601714 1389177961 /nfs/dbraw/zinc/17/79/61/1389177961.db2.gz VVWKTIFLTXYUHZ-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC001330545465 1389451216 /nfs/dbraw/zinc/45/12/16/1389451216.db2.gz VXCXUQXLCZTMLZ-XHHHBCLVSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC001338460611 1389688142 /nfs/dbraw/zinc/68/81/42/1389688142.db2.gz IRPWUGDAFDELIR-HXUWFJFHSA-N 2 0 330.447 3.489 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001338464015 1389689104 /nfs/dbraw/zinc/68/91/04/1389689104.db2.gz YNBOMKQAHAOQTR-KMFTYDHNSA-N 2 0 330.516 3.395 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[NH2+][C@H](C)c1ccccc1 ZINC001340222550 1390253119 /nfs/dbraw/zinc/25/31/19/1390253119.db2.gz MIIGELBKDCJTEC-QXCFHYIPSA-N 2 0 343.515 3.153 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC001340841934 1390382411 /nfs/dbraw/zinc/38/24/11/1390382411.db2.gz BAWVGQWQDIAZLN-QRQLOZEOSA-N 2 0 329.488 3.040 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001340874288 1390391096 /nfs/dbraw/zinc/39/10/96/1390391096.db2.gz YXBQHVXOZFUVGN-ZDWTUXFCSA-N 2 0 345.531 3.023 20 0 EGADRP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001341643137 1390513583 /nfs/dbraw/zinc/51/35/83/1390513583.db2.gz AQECSXOCQHSDPH-WBVHZDCISA-N 2 0 349.544 3.328 20 0 EGADRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC001335344118 1390674175 /nfs/dbraw/zinc/67/41/75/1390674175.db2.gz BUUUMCVYXPXXJL-SFHVURJKSA-N 2 0 336.838 3.364 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001346138206 1390910415 /nfs/dbraw/zinc/91/04/15/1390910415.db2.gz GWEFFVCPWAFOTL-YJBOKZPZSA-N 2 0 334.533 3.003 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC001348842435 1391274033 /nfs/dbraw/zinc/27/40/33/1391274033.db2.gz ZAPXSMVMDYLFBZ-RYUDHWBXSA-N 2 0 331.382 3.010 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001698824043 1406516157 /nfs/dbraw/zinc/51/61/57/1406516157.db2.gz LVVUDMIBGXNYKG-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001353875449 1392104414 /nfs/dbraw/zinc/10/44/14/1392104414.db2.gz NOLBADORPNLBTL-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001479257049 1392199888 /nfs/dbraw/zinc/19/98/88/1392199888.db2.gz JKURCDMQTJAQGN-AZUAARDMSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001479895546 1392464151 /nfs/dbraw/zinc/46/41/51/1392464151.db2.gz LUCGRESOGUREMJ-HNAYVOBHSA-N 2 0 349.494 3.150 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001479895203 1392464316 /nfs/dbraw/zinc/46/43/16/1392464316.db2.gz FSWFCVBNGYXSMN-HXUWFJFHSA-N 2 0 349.563 3.386 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC/C=C/c2ccccc2)C1 ZINC001479913926 1392481632 /nfs/dbraw/zinc/48/16/32/1392481632.db2.gz YQVFMOCEPWXSCY-BESKYLIDSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480084015 1392573711 /nfs/dbraw/zinc/57/37/11/1392573711.db2.gz FIMFVGSCFVOFNB-LJQANCHMSA-N 2 0 345.531 3.188 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1)[NH+](CC)CC ZINC001480156433 1392603383 /nfs/dbraw/zinc/60/33/83/1392603383.db2.gz BTSYBIIVQQLHEF-JPLJXNOCSA-N 2 0 345.531 3.413 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCC2)CCCCC1 ZINC001480323482 1392683500 /nfs/dbraw/zinc/68/35/00/1392683500.db2.gz LRUMOVQTFJUJFY-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001480359261 1392704448 /nfs/dbraw/zinc/70/44/48/1392704448.db2.gz LHIZUJZHYUSXOD-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001480538245 1392784327 /nfs/dbraw/zinc/78/43/27/1392784327.db2.gz WCZMEDZVHMHDLJ-SJLPKXTDSA-N 2 0 333.520 3.210 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480743003 1392909533 /nfs/dbraw/zinc/90/95/33/1392909533.db2.gz UTJTUCSKCDPDBQ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001480770555 1392923301 /nfs/dbraw/zinc/92/33/01/1392923301.db2.gz VZURGMRQRRDDFN-SJLPKXTDSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001480772226 1392923787 /nfs/dbraw/zinc/92/37/87/1392923787.db2.gz CEVZLNPRCUGBBC-OXJNMPFZSA-N 2 0 343.515 3.033 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001480973957 1393059094 /nfs/dbraw/zinc/05/90/94/1393059094.db2.gz BYGVDRBVUXVFBJ-KRWDZBQOSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1cccc(C)c1 ZINC001480979350 1393063457 /nfs/dbraw/zinc/06/34/57/1393063457.db2.gz GWOJRRFLWUQCCN-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001481216296 1393150244 /nfs/dbraw/zinc/15/02/44/1393150244.db2.gz XKKCGVFIYUQVSB-APWZRJJASA-N 2 0 331.504 3.013 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001481333179 1393165646 /nfs/dbraw/zinc/16/56/46/1393165646.db2.gz BMPNLLZRPPRBIF-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001698928748 1406665304 /nfs/dbraw/zinc/66/53/04/1406665304.db2.gz LSTFTLIVVPVIND-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001490420946 1394221892 /nfs/dbraw/zinc/22/18/92/1394221892.db2.gz FDMLPWNHWZMLGJ-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CCCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001481402311 1394252310 /nfs/dbraw/zinc/25/23/10/1394252310.db2.gz ZTHPLRPAMDXXCX-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[N@H+](C)CC3CCCCC3)C2)CC1 ZINC001490768335 1394330821 /nfs/dbraw/zinc/33/08/21/1394330821.db2.gz LTKJQNKUJXVOSZ-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(N1CC[C@H]([NH2+]CCCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001490829145 1394356645 /nfs/dbraw/zinc/35/66/45/1394356645.db2.gz GBRGOLBOYFAQBV-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CCc1cccc(C[NH+]2CCCC[C@H]2CNC(=O)CC[N@@H+](C)CC)c1 ZINC001491228530 1394483321 /nfs/dbraw/zinc/48/33/21/1394483321.db2.gz BEWRBKWPBJMXFZ-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001482024696 1394682865 /nfs/dbraw/zinc/68/28/65/1394682865.db2.gz HZZXSMZDJNLEBN-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001482050081 1394712754 /nfs/dbraw/zinc/71/27/54/1394712754.db2.gz REHWHYYFDLSCSW-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001482245636 1394842674 /nfs/dbraw/zinc/84/26/74/1394842674.db2.gz LMQBOIREWBEPHJ-SFHVURJKSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482283269 1394865141 /nfs/dbraw/zinc/86/51/41/1394865141.db2.gz DQGHVVGBPSTPKE-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001482495724 1395047434 /nfs/dbraw/zinc/04/74/34/1395047434.db2.gz SOOQUUWDWAAWNC-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001483910932 1395140756 /nfs/dbraw/zinc/14/07/56/1395140756.db2.gz FVNBOUZUZLKQBF-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001484049044 1395212536 /nfs/dbraw/zinc/21/25/36/1395212536.db2.gz YSKTWHUCXJMSGO-FQEVSTJZSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001484114287 1395259021 /nfs/dbraw/zinc/25/90/21/1395259021.db2.gz FYHBKXWWBHCNHB-FQEVSTJZSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001484138314 1395274716 /nfs/dbraw/zinc/27/47/16/1395274716.db2.gz XKTVYVJBIBBMAL-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001484171831 1395314027 /nfs/dbraw/zinc/31/40/27/1395314027.db2.gz APFVOPOIGIENQB-RXVVDRJESA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001484547441 1395429903 /nfs/dbraw/zinc/42/99/03/1395429903.db2.gz QIUWZKUIJURAMK-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(Cl)s1)[NH+](C)C ZINC001484765868 1395520096 /nfs/dbraw/zinc/52/00/96/1395520096.db2.gz VNDXZUKXTJCVBU-AWEZNQCLSA-N 2 0 345.940 3.022 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCCCC1 ZINC001484976102 1395616034 /nfs/dbraw/zinc/61/60/34/1395616034.db2.gz BGTKNYCFYBKWPK-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CCc1ccccc1C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001484981454 1395621274 /nfs/dbraw/zinc/62/12/74/1395621274.db2.gz OBFACZAWNHSYIX-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001484987609 1395631371 /nfs/dbraw/zinc/63/13/71/1395631371.db2.gz DCNZXQDQUOWHHL-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001485239457 1395732790 /nfs/dbraw/zinc/73/27/90/1395732790.db2.gz OZKKXVDENVEQRC-LKFCSYKXSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)Cc1ccc(F)cc1 ZINC001485304224 1395782300 /nfs/dbraw/zinc/78/23/00/1395782300.db2.gz VCTWGEHTYCHUOB-MRXNPFEDSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001485939248 1396170833 /nfs/dbraw/zinc/17/08/33/1396170833.db2.gz XYHSUMUHPJUPSU-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001486207711 1396182331 /nfs/dbraw/zinc/18/23/31/1396182331.db2.gz MJIZFXRDTDURNI-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001486211959 1396183316 /nfs/dbraw/zinc/18/33/16/1396183316.db2.gz YZKGZPYRLFIPOG-RTBURBONSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN(C)[C@H](C)c1ccccc1F ZINC001492442111 1396322346 /nfs/dbraw/zinc/32/23/46/1396322346.db2.gz UILKJHIAFMUESW-APWZRJJASA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857648 1396500571 /nfs/dbraw/zinc/50/05/71/1396500571.db2.gz UQGRXJBGDSRGKE-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)CC[NH+]1CCCCC1 ZINC001497993683 1396907388 /nfs/dbraw/zinc/90/73/88/1396907388.db2.gz SUEDXLJFXWBXTB-XLIONFOSSA-N 2 0 343.515 3.034 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690505126 1404617403 /nfs/dbraw/zinc/61/74/03/1404617403.db2.gz OCOYMJMTMMJLNI-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001690616515 1404654427 /nfs/dbraw/zinc/65/44/27/1404654427.db2.gz KHKRKNNFQMICHT-IRXDYDNUSA-N 2 0 345.531 3.307 20 0 EGADRP CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691477191 1405293502 /nfs/dbraw/zinc/29/35/02/1405293502.db2.gz ZVLQSNDGEWRCSM-IBGZPJMESA-N 2 0 345.531 3.090 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001691690320 1405425390 /nfs/dbraw/zinc/42/53/90/1405425390.db2.gz QYGQAEWECNGBHY-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001691806154 1405518786 /nfs/dbraw/zinc/51/87/86/1405518786.db2.gz ZGEYVQQAQCMCCY-HXUWFJFHSA-N 2 0 343.515 3.110 20 0 EGADRP CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](CCC)C1 ZINC001691865034 1405584603 /nfs/dbraw/zinc/58/46/03/1405584603.db2.gz YUCOTLNTYDKRFF-FQEVSTJZSA-N 2 0 345.531 3.127 20 0 EGADRP Cc1c(C(=O)NCC2C[NH+](CCCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001692317829 1405935812 /nfs/dbraw/zinc/93/58/12/1405935812.db2.gz DJLKYWDYWKEONB-UHFFFAOYSA-N 2 0 342.487 3.131 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001698587367 1406206575 /nfs/dbraw/zinc/20/65/75/1406206575.db2.gz NQTUBEWJIOEEID-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001698602766 1406229306 /nfs/dbraw/zinc/22/93/06/1406229306.db2.gz OZFBBADUDJPRHM-FUHWJXTLSA-N 2 0 331.504 3.025 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001732165009 1428406891 /nfs/dbraw/zinc/40/68/91/1428406891.db2.gz JBXKBTFCAYKPAF-PMACEKPBSA-N 2 0 343.515 3.155 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCC3CCCCCC3)CCCC2)C1 ZINC001732399146 1428565254 /nfs/dbraw/zinc/56/52/54/1428565254.db2.gz VYNCLVXAMFZSRA-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001732534336 1428655427 /nfs/dbraw/zinc/65/54/27/1428655427.db2.gz XCOGQZTXNLLJKW-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001699372187 1412679671 /nfs/dbraw/zinc/67/96/71/1412679671.db2.gz DJMDEUBFCZKLLY-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699700919 1413114851 /nfs/dbraw/zinc/11/48/51/1413114851.db2.gz BFXNLBULCFAWNE-GHTZIAJQSA-N 2 0 343.515 3.014 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1C)C1CCCC1)[NH+](C)C ZINC001699794979 1413202960 /nfs/dbraw/zinc/20/29/60/1413202960.db2.gz AWJHTDBJXKRMPQ-PMACEKPBSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699856283 1413287509 /nfs/dbraw/zinc/28/75/09/1413287509.db2.gz WNTAWQNYGNPHHN-NQIIRXRSSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@]1(C[NH2+]CC2CCCCC2)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001699859822 1413293002 /nfs/dbraw/zinc/29/30/02/1413293002.db2.gz UGEBZCQWMMETMM-OAQYLSRUSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001700252243 1413698605 /nfs/dbraw/zinc/69/86/05/1413698605.db2.gz DAIJWCNIRSAUNJ-UHFFFAOYSA-N 2 0 345.531 3.252 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC1CCC(C)(C)CC1 ZINC001700460442 1414057196 /nfs/dbraw/zinc/05/71/96/1414057196.db2.gz KNTVYQFTJISSQV-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+]([C@H](C)c1ccccc1)C2 ZINC001700620978 1414290348 /nfs/dbraw/zinc/29/03/48/1414290348.db2.gz FYYCLSDEAXEGOK-GOSISDBHSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732584968 1428797464 /nfs/dbraw/zinc/79/74/64/1428797464.db2.gz DVHOZXIRMDSIKO-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCCCC1 ZINC001700756738 1414428210 /nfs/dbraw/zinc/42/82/10/1414428210.db2.gz MMPVFMBRBRMHBZ-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001700844557 1414494079 /nfs/dbraw/zinc/49/40/79/1414494079.db2.gz WOYOFUZWHNTLKC-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001700844555 1414494161 /nfs/dbraw/zinc/49/41/61/1414494161.db2.gz WOYOFUZWHNTLKC-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001700878787 1414534755 /nfs/dbraw/zinc/53/47/55/1414534755.db2.gz IFFWABSGCWBPQM-MJGOQNOKSA-N 2 0 337.552 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)c2ccccc2)C1 ZINC001701025495 1414687388 /nfs/dbraw/zinc/68/73/88/1414687388.db2.gz UYCDKSMNEMKSJM-IVMQYODDSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001732596137 1428832531 /nfs/dbraw/zinc/83/25/31/1428832531.db2.gz YGCWQKUNELFPDT-SFHVURJKSA-N 2 0 339.568 3.466 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001707148547 1417222794 /nfs/dbraw/zinc/22/27/94/1417222794.db2.gz ZRTBMAAGZXJVBH-FXAWDEMLSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001733044289 1429176134 /nfs/dbraw/zinc/17/61/34/1429176134.db2.gz GTNHVIDXGYTONJ-LPHOPBHVSA-N 2 0 331.504 3.059 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCC2)CC1 ZINC001713256429 1417856046 /nfs/dbraw/zinc/85/60/46/1417856046.db2.gz GNACCDLINVFICV-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713378362 1417988295 /nfs/dbraw/zinc/98/82/95/1417988295.db2.gz DHZPWEWKDJBDRO-RTBURBONSA-N 2 0 349.494 3.015 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001713399662 1418020739 /nfs/dbraw/zinc/02/07/39/1418020739.db2.gz QQLMAKXMWNFLQC-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CC2CC[NH+](C)CC2)cc1C ZINC001713418710 1418042255 /nfs/dbraw/zinc/04/22/55/1418042255.db2.gz IAAGJGQVQWUZFP-GOSISDBHSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](Cc1c(C)cc(C)cc1C)C1CC1)[NH+](C)C ZINC001713564591 1418372975 /nfs/dbraw/zinc/37/29/75/1418372975.db2.gz CUPONHYYVDAYBI-HXUWFJFHSA-N 2 0 345.531 3.033 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C2CC2)c1 ZINC001713564885 1418373961 /nfs/dbraw/zinc/37/39/61/1418373961.db2.gz OYGBZFRZPAVQCI-FXAWDEMLSA-N 2 0 345.531 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N(Cc1ccccc1)[C@H]1CCC[NH+](C(C)C)C1 ZINC001713762496 1418573154 /nfs/dbraw/zinc/57/31/54/1418573154.db2.gz PFQCJRCQCIBQHI-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP C[N@H+](CCC1CCCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001713764680 1418576830 /nfs/dbraw/zinc/57/68/30/1418576830.db2.gz KRMHSMWMLPAAQT-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713917219 1418711872 /nfs/dbraw/zinc/71/18/72/1418711872.db2.gz HSFKRIPVIXQWSZ-QGZVFWFLSA-N 2 0 345.531 3.082 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001714050523 1418849358 /nfs/dbraw/zinc/84/93/58/1418849358.db2.gz YVWSMLBLZCEBBQ-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001714092498 1418886407 /nfs/dbraw/zinc/88/64/07/1418886407.db2.gz WJFMXSAYGCOYIR-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001714149061 1418954971 /nfs/dbraw/zinc/95/49/71/1418954971.db2.gz CEUKJTOOBAWWKC-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001714149806 1418955876 /nfs/dbraw/zinc/95/58/76/1418955876.db2.gz FUFDNFJMGCXZRQ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001714152063 1418958783 /nfs/dbraw/zinc/95/87/83/1418958783.db2.gz XHPXFSOZFHCZAF-QZTJIDSGSA-N 2 0 343.515 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@H](CC)C1 ZINC001733196974 1429299448 /nfs/dbraw/zinc/29/94/48/1429299448.db2.gz HCRZXNVXGILKQQ-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001714214676 1419012676 /nfs/dbraw/zinc/01/26/76/1419012676.db2.gz RBVUQSYQQUEEEX-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1CC[NH+](C(C)C)CC1)[NH+]1CCCCC1 ZINC001714331719 1419111481 /nfs/dbraw/zinc/11/14/81/1419111481.db2.gz FUYLBETWCDHQPA-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001714412265 1419150876 /nfs/dbraw/zinc/15/08/76/1419150876.db2.gz PGPMQNFCVGAYLX-OALUTQOASA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH2+]C/C=C\Cl)CCCC2)c1 ZINC001714513459 1419241007 /nfs/dbraw/zinc/24/10/07/1419241007.db2.gz FURKQELVEWNSNY-WDZFZDKYSA-N 2 0 349.906 3.133 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)[C@@H](C)c1ccccc1 ZINC001714587148 1419330755 /nfs/dbraw/zinc/33/07/55/1419330755.db2.gz OGZAMWQTFXEKJD-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1ccccc1F ZINC001714619297 1419384891 /nfs/dbraw/zinc/38/48/91/1419384891.db2.gz OISVARZNTJQJIL-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714865160 1419590961 /nfs/dbraw/zinc/59/09/61/1419590961.db2.gz YPHTZCYKRCMYCI-SOAGJPPSSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001714884392 1419623964 /nfs/dbraw/zinc/62/39/64/1419623964.db2.gz ZBCCVMUSAKHUOF-MSOLQXFVSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001715057617 1419798011 /nfs/dbraw/zinc/79/80/11/1419798011.db2.gz YIRWAOLOVQGBCA-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1c(C)cccc1C ZINC001715076873 1419811708 /nfs/dbraw/zinc/81/17/08/1419811708.db2.gz WGLDZZVHFSDYRH-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1)[NH+]1CCCCCC1 ZINC001715102025 1419843107 /nfs/dbraw/zinc/84/31/07/1419843107.db2.gz BFIYGFBDQQYQHU-JLAWEPINSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC2(CC[NH+](CC)C2)CC1)c1ccccc1 ZINC001715216948 1419949825 /nfs/dbraw/zinc/94/98/25/1419949825.db2.gz KBIIRZUWQWOCSV-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001715217316 1419950382 /nfs/dbraw/zinc/95/03/82/1419950382.db2.gz NXWRGWKOTOVNDK-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001715322266 1420029760 /nfs/dbraw/zinc/02/97/60/1420029760.db2.gz QDDXKNXVQDCKHZ-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001715931871 1420404196 /nfs/dbraw/zinc/40/41/96/1420404196.db2.gz KEHIGWYTMRBUDF-SJORKVTESA-N 2 0 345.531 3.450 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716198933 1420563447 /nfs/dbraw/zinc/56/34/47/1420563447.db2.gz WXPJXYWIWWSPEG-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001716492790 1420714932 /nfs/dbraw/zinc/71/49/32/1420714932.db2.gz WQONCANOMPEJMK-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CC2CCCCC2)C1 ZINC001716854694 1420986503 /nfs/dbraw/zinc/98/65/03/1420986503.db2.gz ZVCMCQTXNAGLAD-HXUWFJFHSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001716884058 1421007512 /nfs/dbraw/zinc/00/75/12/1421007512.db2.gz OSAQUDRYAANBPC-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001716889574 1421013680 /nfs/dbraw/zinc/01/36/80/1421013680.db2.gz OZCDQQZAWILVLI-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001717493243 1421432062 /nfs/dbraw/zinc/43/20/62/1421432062.db2.gz TYVKRFWQBNPMKG-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001717495960 1421437230 /nfs/dbraw/zinc/43/72/30/1421437230.db2.gz YUBPIYAVDNPAQF-WMZOPIPTSA-N 2 0 339.568 3.226 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001717543249 1421484117 /nfs/dbraw/zinc/48/41/17/1421484117.db2.gz UJJHLUQKKOVSRD-IBGZPJMESA-N 2 0 337.552 3.413 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cccc2ccccc21 ZINC001717739903 1421603377 /nfs/dbraw/zinc/60/33/77/1421603377.db2.gz YYHLSUJZRQYHRN-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001717827400 1421641325 /nfs/dbraw/zinc/64/13/25/1421641325.db2.gz IAFUJLLDPIGUQI-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)C[C@@H]1C ZINC001717828996 1421642067 /nfs/dbraw/zinc/64/20/67/1421642067.db2.gz ZMBKNEHFJOMFAT-PKOBYXMFSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001733362685 1429548103 /nfs/dbraw/zinc/54/81/03/1429548103.db2.gz JKNYCTNHFIBIKQ-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)c1ccc2ccccc2c1 ZINC001733375419 1429557981 /nfs/dbraw/zinc/55/79/81/1429557981.db2.gz QJZORZKVKWQFPY-IBGZPJMESA-N 2 0 339.483 3.091 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001733410219 1429609383 /nfs/dbraw/zinc/60/93/83/1429609383.db2.gz HAPNGOIAASSVQC-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001733453261 1429667253 /nfs/dbraw/zinc/66/72/53/1429667253.db2.gz ZGFVHEQIUVQSLP-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001724846780 1425199988 /nfs/dbraw/zinc/19/99/88/1425199988.db2.gz TZTZGJSRYREKGN-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CCc1ccccc1C[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724851836 1425215948 /nfs/dbraw/zinc/21/59/48/1425215948.db2.gz NTAQBHCUUVZEGN-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001724868827 1425251931 /nfs/dbraw/zinc/25/19/31/1425251931.db2.gz RECNNRXRODJSTE-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(F)c2)[C@@H](C)C1 ZINC001725003286 1425414678 /nfs/dbraw/zinc/41/46/78/1425414678.db2.gz PAAYZIQBPZCFSV-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP CN(C(=O)C[N@H+](C)C1CCC1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC001725131200 1425600291 /nfs/dbraw/zinc/60/02/91/1425600291.db2.gz QPDZFQITTVGZMD-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001725564998 1426227236 /nfs/dbraw/zinc/22/72/36/1426227236.db2.gz ITGQGSHAJUDMDL-IEBWSBKVSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001731295876 1427238374 /nfs/dbraw/zinc/23/83/74/1427238374.db2.gz JHVPNALPISAORM-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1csc(C)c1 ZINC001731466392 1427444519 /nfs/dbraw/zinc/44/45/19/1427444519.db2.gz ONJKZMFVVBICAM-AYHJJNSGSA-N 2 0 349.544 3.010 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001731572775 1427615848 /nfs/dbraw/zinc/61/58/48/1427615848.db2.gz KSUZESLUQOFBFI-KLAILNCOSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001731880074 1428150174 /nfs/dbraw/zinc/15/01/74/1428150174.db2.gz ATNNNOXDHYMDDU-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001731976156 1428191934 /nfs/dbraw/zinc/19/19/34/1428191934.db2.gz AZABPTSXCFAGKE-QGZVFWFLSA-N 2 0 341.499 3.291 20 0 EGADRP CCCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001733676322 1429871638 /nfs/dbraw/zinc/87/16/38/1429871638.db2.gz DFFPJEIMGFBIEY-FQEVSTJZSA-N 2 0 345.531 3.409 20 0 EGADRP C[C@H]([NH2+]CC1CC1)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001733683633 1429898519 /nfs/dbraw/zinc/89/85/19/1429898519.db2.gz VGKVGOKOERDTBQ-KRWDZBQOSA-N 2 0 343.515 3.239 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001733773504 1430012193 /nfs/dbraw/zinc/01/21/93/1430012193.db2.gz IXMHCDITCMDKBY-QUCCMNQESA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877587 1437704372 /nfs/dbraw/zinc/70/43/72/1437704372.db2.gz CPRWKCILWPURQL-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001733897974 1437715654 /nfs/dbraw/zinc/71/56/54/1437715654.db2.gz BOLMIJDZQQPLOZ-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001734051233 1437841181 /nfs/dbraw/zinc/84/11/81/1437841181.db2.gz KSPAAEMKXCJTDT-KRWDZBQOSA-N 2 0 347.547 3.262 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001734121272 1437901540 /nfs/dbraw/zinc/90/15/40/1437901540.db2.gz IMHNPQZAWYKPKJ-DLBZAZTESA-N 2 0 345.531 3.162 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001734268837 1437989867 /nfs/dbraw/zinc/98/98/67/1437989867.db2.gz CGDUPKZUHJCQIR-IBGZPJMESA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001734462453 1438119195 /nfs/dbraw/zinc/11/91/95/1438119195.db2.gz VUBYPTLCTBJGAL-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001752155416 1440146848 /nfs/dbraw/zinc/14/68/48/1440146848.db2.gz GQZPVMLPLJYNGR-APWZRJJASA-N 2 0 349.494 3.025 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001752310112 1440169792 /nfs/dbraw/zinc/16/97/92/1440169792.db2.gz JDIFJZVYRZFQEB-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001752427000 1440177515 /nfs/dbraw/zinc/17/75/15/1440177515.db2.gz MPXSXECMUMNLAS-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001752442235 1440181581 /nfs/dbraw/zinc/18/15/81/1440181581.db2.gz RDADSPYDAUMHAK-UHFFFAOYSA-N 2 0 339.568 3.466 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001752470542 1440184314 /nfs/dbraw/zinc/18/43/14/1440184314.db2.gz HCBCIRHNGGJXEK-MOPGFXCFSA-N 2 0 349.563 3.027 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001752516285 1440191256 /nfs/dbraw/zinc/19/12/56/1440191256.db2.gz CMSZJCABLRUVCH-TYFAACHXSA-N 2 0 337.552 3.099 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001752567697 1440195520 /nfs/dbraw/zinc/19/55/20/1440195520.db2.gz KVLKIXOJEMYBCV-BGYRXZFFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752629431 1440197052 /nfs/dbraw/zinc/19/70/52/1440197052.db2.gz XWJGKKWOEGWXNF-FHWLQOOXSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001752699535 1440201567 /nfs/dbraw/zinc/20/15/67/1440201567.db2.gz ZRTOFVNMTFSCLD-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001752818803 1440219165 /nfs/dbraw/zinc/21/91/65/1440219165.db2.gz JDLPISDGMPZEDY-IEVDXQOXSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001752854186 1440234352 /nfs/dbraw/zinc/23/43/52/1440234352.db2.gz VZGNZUJIKPXPHG-GXAPIZNRSA-N 2 0 349.563 3.480 20 0 EGADRP C[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1)[NH+]1CCCCCC1 ZINC001752902990 1440243486 /nfs/dbraw/zinc/24/34/86/1440243486.db2.gz JDXGERAQEZSREC-DLBZAZTESA-N 2 0 349.494 3.015 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001752910435 1440245241 /nfs/dbraw/zinc/24/52/41/1440245241.db2.gz SEXSJZFZUCYBQP-HZPDHXFCSA-N 2 0 349.494 3.101 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001752972160 1440255265 /nfs/dbraw/zinc/25/52/65/1440255265.db2.gz UZYWGCCBVRECLS-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752974791 1440255724 /nfs/dbraw/zinc/25/57/24/1440255724.db2.gz XHKBFHHQFPRYHA-MSOLQXFVSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001752993114 1440260309 /nfs/dbraw/zinc/26/03/09/1440260309.db2.gz ARIIBEDFYXEFRC-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001753020138 1440269613 /nfs/dbraw/zinc/26/96/13/1440269613.db2.gz DFBLPLCMNMAINA-YLJYHZDGSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001753030748 1440272821 /nfs/dbraw/zinc/27/28/21/1440272821.db2.gz DOBMXPQXSXOHBF-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CC1 ZINC001753035753 1440274566 /nfs/dbraw/zinc/27/45/66/1440274566.db2.gz JVQUHJLPVTZZPD-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001753061726 1440283538 /nfs/dbraw/zinc/28/35/38/1440283538.db2.gz MXCREKMEQPLZHS-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](c1ccc2ccccc2c1)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001753061841 1440283939 /nfs/dbraw/zinc/28/39/39/1440283939.db2.gz YJLARTBOUQRVRQ-QGZVFWFLSA-N 2 0 341.499 3.291 20 0 EGADRP CCCc1ccc(C[N@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001753074286 1440290328 /nfs/dbraw/zinc/29/03/28/1440290328.db2.gz GLKNPSBMGIDFAZ-HDICACEKSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cc(C)ccc1C ZINC001753086621 1440296658 /nfs/dbraw/zinc/29/66/58/1440296658.db2.gz AEIKOJIDZXUBNG-SFHVURJKSA-N 2 0 345.531 3.144 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCCC2)CC1 ZINC001753113094 1440309905 /nfs/dbraw/zinc/30/99/05/1440309905.db2.gz KOODOXBQIATHIO-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCC1CCCC1 ZINC001753148955 1440326567 /nfs/dbraw/zinc/32/65/67/1440326567.db2.gz SSHHOQGGDAWMPA-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH+](CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C2CC2)cs1 ZINC001753165161 1440335763 /nfs/dbraw/zinc/33/57/63/1440335763.db2.gz PJPPNEPURQHRNR-GASCZTMLSA-N 2 0 349.544 3.010 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001753297758 1440353024 /nfs/dbraw/zinc/35/30/24/1440353024.db2.gz RESWZNLNUUZQLD-UXHICEINSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001753299079 1440353458 /nfs/dbraw/zinc/35/34/58/1440353458.db2.gz SCFWARKWNAIEDE-PMACEKPBSA-N 2 0 343.515 3.249 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001753315632 1440359252 /nfs/dbraw/zinc/35/92/52/1440359252.db2.gz CAUGTWJTTWOQCP-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753319295 1440361955 /nfs/dbraw/zinc/36/19/55/1440361955.db2.gz CFBJNYFONSDZGW-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C/CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753328960 1440368221 /nfs/dbraw/zinc/36/82/21/1440368221.db2.gz QYSJXHXONWUIJC-CKHBTRQNSA-N 2 0 349.563 3.386 20 0 EGADRP CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001753349970 1440377469 /nfs/dbraw/zinc/37/74/69/1440377469.db2.gz ZTULUPNJVKZICM-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753361022 1440382837 /nfs/dbraw/zinc/38/28/37/1440382837.db2.gz VAGIPEKINBRJSC-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001753365790 1440384977 /nfs/dbraw/zinc/38/49/77/1440384977.db2.gz RYOWYMBZTSZEIT-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001753459485 1440409940 /nfs/dbraw/zinc/40/99/40/1440409940.db2.gz OFMMXTHVOWYULI-ICSRJNTNSA-N 2 0 345.531 3.321 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CCCCCC1 ZINC001753473689 1440414773 /nfs/dbraw/zinc/41/47/73/1440414773.db2.gz MAYLKVOKFFYBOJ-NZSAHSFTSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@](C[NH2+]CC1CCC(C)(C)CC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001753527185 1440429904 /nfs/dbraw/zinc/42/99/04/1440429904.db2.gz IHWQPAGPGNGDOJ-OAQYLSRUSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]1(C[NH2+]CC2CCCC2)CCCC[C@@H]1C ZINC001753534906 1440432289 /nfs/dbraw/zinc/43/22/89/1440432289.db2.gz ABYARSJFYCWBJJ-FXAWDEMLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]1(C[NH2+]Cc2ccccc2)CCCC[C@@H]1C ZINC001753536036 1440432621 /nfs/dbraw/zinc/43/26/21/1440432621.db2.gz OPXUFXGHFYCHOS-RXVVDRJESA-N 2 0 345.531 3.183 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001753550407 1440434840 /nfs/dbraw/zinc/43/48/40/1440434840.db2.gz QBIRQAJLBXVESK-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(CC[NH2+]CCC3CC3)CC2)C1 ZINC001753577337 1440439487 /nfs/dbraw/zinc/43/94/87/1440439487.db2.gz ZGBMHBPZNWXWRQ-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001753577972 1440439667 /nfs/dbraw/zinc/43/96/67/1440439667.db2.gz PXLNYOQWGCARBX-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1 ZINC001753585169 1440441207 /nfs/dbraw/zinc/44/12/07/1440441207.db2.gz WMNJGMFSYPDCTK-XSLAGTTESA-N 2 0 341.515 3.014 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001753587456 1440441753 /nfs/dbraw/zinc/44/17/53/1440441753.db2.gz DXTGDVJTJUXEOW-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)C)CC1 ZINC001753588009 1440441888 /nfs/dbraw/zinc/44/18/88/1440441888.db2.gz WRCMROSKCRFMKR-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001753617974 1440450122 /nfs/dbraw/zinc/45/01/22/1440450122.db2.gz CADSLWIOSWYDSF-QFBILLFUSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCC1CCCCCC1 ZINC001753618055 1440450141 /nfs/dbraw/zinc/45/01/41/1440450141.db2.gz DRMRYVMCGQBUQG-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001753664855 1440459837 /nfs/dbraw/zinc/45/98/37/1440459837.db2.gz FRHVZHFEQCHIIZ-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001753678416 1440464007 /nfs/dbraw/zinc/46/40/07/1440464007.db2.gz GRCXGQXASITNNB-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1)c1ccc(F)cc1 ZINC001753695899 1440467484 /nfs/dbraw/zinc/46/74/84/1440467484.db2.gz AKDNEGOKUDZPAA-BEFAXECRSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001753710147 1440470307 /nfs/dbraw/zinc/47/03/07/1440470307.db2.gz ANQUOHSTLKYQSE-DLBZAZTESA-N 2 0 341.499 3.289 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001753728554 1440475046 /nfs/dbraw/zinc/47/50/46/1440475046.db2.gz CFYCZWQNRYOAMK-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001753788289 1440488567 /nfs/dbraw/zinc/48/85/67/1440488567.db2.gz ONBDSTUJOQQIBO-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753796442 1440489854 /nfs/dbraw/zinc/48/98/54/1440489854.db2.gz KPXYBGROUXNREW-HKVCONOFSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001753823362 1440497270 /nfs/dbraw/zinc/49/72/70/1440497270.db2.gz FQGDWQSVQFFIFR-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753860871 1440511216 /nfs/dbraw/zinc/51/12/16/1440511216.db2.gz MUPYJAPZSKOAIV-JZXOWHBKSA-N 2 0 349.494 3.007 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753892037 1440522230 /nfs/dbraw/zinc/52/22/30/1440522230.db2.gz SLKNDCMYQXEAGP-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1 ZINC001754007382 1440531016 /nfs/dbraw/zinc/53/10/16/1440531016.db2.gz LQPWRQILPBFXRW-PKOBYXMFSA-N 2 0 335.536 3.234 20 0 EGADRP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001754025666 1440533045 /nfs/dbraw/zinc/53/30/45/1440533045.db2.gz OGBXBFIBDCPTMI-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001754025306 1440533117 /nfs/dbraw/zinc/53/31/17/1440533117.db2.gz ILQVUYAFTJDHLV-VQIMIIECSA-N 2 0 349.494 3.015 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001754250314 1440557786 /nfs/dbraw/zinc/55/77/86/1440557786.db2.gz YMUHNFVOVQJXSF-SJORKVTESA-N 2 0 341.499 3.337 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754267272 1440560789 /nfs/dbraw/zinc/56/07/89/1440560789.db2.gz DHWLIDRQDWKWME-IRXDYDNUSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001754267030 1440560829 /nfs/dbraw/zinc/56/08/29/1440560829.db2.gz SUWBXOJDLJDPJN-HKUYNNGSSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC(C(C)(C)C)CC1)[NH+](C)C ZINC001754283998 1440563818 /nfs/dbraw/zinc/56/38/18/1440563818.db2.gz UMHNLLZOYUIWFC-BFWZDYSYSA-N 2 0 339.568 3.273 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001754309680 1440572536 /nfs/dbraw/zinc/57/25/36/1440572536.db2.gz DLVTWGZTNHALES-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCCCCC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001754312862 1440574057 /nfs/dbraw/zinc/57/40/57/1440574057.db2.gz JVZWYXMTYGFFMB-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001754337159 1440587117 /nfs/dbraw/zinc/58/71/17/1440587117.db2.gz SDDMQNJCGCRAKZ-GOSISDBHSA-N 2 0 335.536 3.189 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001754600820 1440642477 /nfs/dbraw/zinc/64/24/77/1440642477.db2.gz IBCDWTTUEUNNAJ-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001754601301 1440642597 /nfs/dbraw/zinc/64/25/97/1440642597.db2.gz NVAQTDNHELKNJV-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH+]1CCC(C)(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001754628351 1440646902 /nfs/dbraw/zinc/64/69/02/1440646902.db2.gz QZSURKJVHDQSGI-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2(C)CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC001754630939 1440647844 /nfs/dbraw/zinc/64/78/44/1440647844.db2.gz QNVXRIBSLGLBOA-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]C(C)C)c1ccc2ccccc2c1 ZINC001754644615 1440649927 /nfs/dbraw/zinc/64/99/27/1440649927.db2.gz VNRWZLWGVYZRCA-FQEVSTJZSA-N 2 0 341.499 3.337 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001754662399 1440655432 /nfs/dbraw/zinc/65/54/32/1440655432.db2.gz YKSHODNQVZBCBF-FQEVSTJZSA-N 2 0 337.552 3.223 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001754729642 1440678548 /nfs/dbraw/zinc/67/85/48/1440678548.db2.gz OFLNREOEZYWHLA-OAQYLSRUSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734409 1440681484 /nfs/dbraw/zinc/68/14/84/1440681484.db2.gz VJHPCSNPTYRHSF-RXVVDRJESA-N 2 0 343.515 3.062 20 0 EGADRP CCCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001754782453 1440686578 /nfs/dbraw/zinc/68/65/78/1440686578.db2.gz BPZOTWUFOLRSSW-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001754806623 1440691322 /nfs/dbraw/zinc/69/13/22/1440691322.db2.gz FTORMQMBWRQJEZ-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001754831713 1440695471 /nfs/dbraw/zinc/69/54/71/1440695471.db2.gz LTZYKYAWXCJVQK-YSTOQKLRSA-N 2 0 347.547 3.186 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001754868249 1440703902 /nfs/dbraw/zinc/70/39/02/1440703902.db2.gz OBMZDWRWKSTJCT-GBESFXJTSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001754874722 1440706469 /nfs/dbraw/zinc/70/64/69/1440706469.db2.gz LBIVGOSUPXQBEY-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001754919111 1440709120 /nfs/dbraw/zinc/70/91/20/1440709120.db2.gz MHUSJRGKMDNEQZ-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001754985305 1440722528 /nfs/dbraw/zinc/72/25/28/1440722528.db2.gz NRXILHJWSSTDBK-IBGZPJMESA-N 2 0 347.547 3.378 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755031548 1440731820 /nfs/dbraw/zinc/73/18/20/1440731820.db2.gz UNJDCDUWIMVCOL-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC2CC[NH+](CC)CC2)CC[N@@H+]1C ZINC001755074146 1440747843 /nfs/dbraw/zinc/74/78/43/1440747843.db2.gz PZZCTFHFFWNILT-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001755114187 1440754667 /nfs/dbraw/zinc/75/46/67/1440754667.db2.gz MATIFXKEAHBTJX-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001755135564 1440758068 /nfs/dbraw/zinc/75/80/68/1440758068.db2.gz VADQWCIWGGVLKW-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755135828 1440758198 /nfs/dbraw/zinc/75/81/98/1440758198.db2.gz FEJCSDZTJNGRSX-GOSISDBHSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001755195172 1440776420 /nfs/dbraw/zinc/77/64/20/1440776420.db2.gz KQTSJVYHTBVTKK-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755201055 1440779622 /nfs/dbraw/zinc/77/96/22/1440779622.db2.gz OYXKTEHJPXROSJ-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001755250658 1440791796 /nfs/dbraw/zinc/79/17/96/1440791796.db2.gz SSMLHHWGRAHVFM-DLBZAZTESA-N 2 0 341.499 3.164 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001755350841 1440827877 /nfs/dbraw/zinc/82/78/77/1440827877.db2.gz IOKDORGHOGGAIA-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001755356361 1440829690 /nfs/dbraw/zinc/82/96/90/1440829690.db2.gz LUOCGTAHMNRWRF-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001755413212 1440847253 /nfs/dbraw/zinc/84/72/53/1440847253.db2.gz VGUXTLGCWVFQCX-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755414021 1440847918 /nfs/dbraw/zinc/84/79/18/1440847918.db2.gz NYCCXIOFFPABDX-ZWKOTPCHSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H](CCC[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001755498474 1440862410 /nfs/dbraw/zinc/86/24/10/1440862410.db2.gz JNXVKACIPIYKCM-SFHVURJKSA-N 2 0 345.531 3.326 20 0 EGADRP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755513723 1440863820 /nfs/dbraw/zinc/86/38/20/1440863820.db2.gz UCVCGEVXGOMJJB-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CCC(C)(C)C)CC1 ZINC001755529625 1440866725 /nfs/dbraw/zinc/86/67/25/1440866725.db2.gz BMMQCJXMVVUMLE-GOSISDBHSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001755535507 1440869307 /nfs/dbraw/zinc/86/93/07/1440869307.db2.gz KPFABFNSFRLRKZ-GOSISDBHSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]C/C=C\Cl ZINC001755551279 1440872092 /nfs/dbraw/zinc/87/20/92/1440872092.db2.gz UTFWMRHYKXTILD-XKJZPFPASA-N 2 0 343.943 3.122 20 0 EGADRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001755611738 1440887346 /nfs/dbraw/zinc/88/73/46/1440887346.db2.gz SRFXACCZTPRJDO-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755687007 1440896023 /nfs/dbraw/zinc/89/60/23/1440896023.db2.gz RSBRZLUVAQKRNT-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001755701550 1440900428 /nfs/dbraw/zinc/90/04/28/1440900428.db2.gz QBHPZJGVRRJSFD-HFSMHLIXSA-N 2 0 343.515 3.121 20 0 EGADRP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001755707866 1440902987 /nfs/dbraw/zinc/90/29/87/1440902987.db2.gz JSDPTBIZVKBDBR-XUVXKRRUSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001755712620 1440903960 /nfs/dbraw/zinc/90/39/60/1440903960.db2.gz NPLBBHYRMYJSAL-SLFFLAALSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001755720350 1440906987 /nfs/dbraw/zinc/90/69/87/1440906987.db2.gz DUODFSIRXRJLMB-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001755720116 1440907145 /nfs/dbraw/zinc/90/71/45/1440907145.db2.gz CPYFDQMPYPJXGG-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755745386 1440912372 /nfs/dbraw/zinc/91/23/72/1440912372.db2.gz GUUGFANPOPSHGB-RTBURBONSA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755745383 1440912377 /nfs/dbraw/zinc/91/23/77/1440912377.db2.gz GUUGFANPOPSHGB-MOPGFXCFSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755830134 1440928421 /nfs/dbraw/zinc/92/84/21/1440928421.db2.gz KKWFZQDEFQWCOT-SFHVURJKSA-N 2 0 345.531 3.182 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001755844315 1440932707 /nfs/dbraw/zinc/93/27/07/1440932707.db2.gz QRKPTAWUECASDL-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001755862675 1440937077 /nfs/dbraw/zinc/93/70/77/1440937077.db2.gz UBWLVOILBNSRPD-SBDAGSLNSA-N 2 0 335.536 3.185 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001755896739 1440942872 /nfs/dbraw/zinc/94/28/72/1440942872.db2.gz BYHUQVACUXYTTR-IBGZPJMESA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825413280 947183145 /nfs/dbraw/zinc/18/31/45/947183145.db2.gz ZQDIYTJVVHQAJF-HUUCEWRRSA-N 2 0 330.480 3.028 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368532415 168368901 /nfs/dbraw/zinc/36/89/01/168368901.db2.gz YQMRQKGGKAWUAM-GHTZIAJQSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(CO)o2)cc1 ZINC000174270673 231162791 /nfs/dbraw/zinc/16/27/91/231162791.db2.gz GDSNAAHHUDKGLU-INIZCTEOSA-N 2 0 328.456 3.436 20 0 EGADRP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC000057994127 214468943 /nfs/dbraw/zinc/46/89/43/214468943.db2.gz BIHOHVNKDAXKSQ-ZDUSSCGKSA-N 2 0 341.293 3.279 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)o1 ZINC000132811523 223365181 /nfs/dbraw/zinc/36/51/81/223365181.db2.gz NUYDULNCZJSNEK-MRXNPFEDSA-N 2 0 328.456 3.396 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000365457516 296103644 /nfs/dbraw/zinc/10/36/44/296103644.db2.gz CMIQNIMDVFJIBX-UYAOXDASSA-N 2 0 347.547 3.118 20 0 EGADRP Cc1nccn1CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337846 169012376 /nfs/dbraw/zinc/01/23/76/169012376.db2.gz QNMJBWDYZYNRPO-SFTDATJTSA-N 2 0 338.499 3.036 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377631853 169051838 /nfs/dbraw/zinc/05/18/38/169051838.db2.gz RRSBHEHUPQVXSN-UTKZUKDTSA-N 2 0 347.522 3.247 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377747417 169070719 /nfs/dbraw/zinc/07/07/19/169070719.db2.gz QZVCBTUMZJBFGW-VQTJNVASSA-N 2 0 341.499 3.247 20 0 EGADRP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000378429893 169119072 /nfs/dbraw/zinc/11/90/72/169119072.db2.gz LPUIAFHVAFOJNZ-MPGHIAIKSA-N 2 0 329.444 3.447 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cn1 ZINC000095421944 218364532 /nfs/dbraw/zinc/36/45/32/218364532.db2.gz ANKBVWFCIKDNOM-KRWDZBQOSA-N 2 0 341.503 3.067 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237343673 296314223 /nfs/dbraw/zinc/31/42/23/296314223.db2.gz BZGGJRBUNWLRQW-MBOZVWFJSA-N 2 0 343.515 3.195 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000268720213 252170846 /nfs/dbraw/zinc/17/08/46/252170846.db2.gz HYJXBXDCCLJCDC-OAHLLOKOSA-N 2 0 334.508 3.455 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000268852114 252299440 /nfs/dbraw/zinc/29/94/40/252299440.db2.gz HJJZAEKJNFSOMD-NQIIRXRSSA-N 2 0 329.532 3.361 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841823 221194859 /nfs/dbraw/zinc/19/48/59/221194859.db2.gz BGYDKRHABWQJJK-HNNXBMFYSA-N 2 0 335.517 3.011 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000155709824 285335672 /nfs/dbraw/zinc/33/56/72/285335672.db2.gz CUDTXTHXPPVMTB-UYAOXDASSA-N 2 0 345.531 3.133 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000237479156 141004213 /nfs/dbraw/zinc/00/42/13/141004213.db2.gz AOEKUMVNKFQYOF-OXQOHEQNSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)C1 ZINC000237522449 141005816 /nfs/dbraw/zinc/00/58/16/141005816.db2.gz LRSDQYLRSPBZAT-JTDSTZFVSA-N 2 0 345.531 3.154 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@]2(C)CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000237525879 141006329 /nfs/dbraw/zinc/00/63/29/141006329.db2.gz KSVRWKYHZMBWKD-PXNSSMCTSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC[NH2+]CC1 ZINC000237557642 141007727 /nfs/dbraw/zinc/00/77/27/141007727.db2.gz ZUJWIPPSXQNVOI-CEXWTWQISA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](CC[NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000237565716 141008420 /nfs/dbraw/zinc/00/84/20/141008420.db2.gz YZLBHRPDIAGXFO-AVRDEDQJSA-N 2 0 338.495 3.189 20 0 EGADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000237570257 141008691 /nfs/dbraw/zinc/00/86/91/141008691.db2.gz HTXQYDQSJKIGKW-KXBFYZLASA-N 2 0 331.504 3.051 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000353439972 141296424 /nfs/dbraw/zinc/29/64/24/141296424.db2.gz XXGWOPMXPUABHN-OAHLLOKOSA-N 2 0 326.444 3.019 20 0 EGADRP Cc1ccc(CCC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000353458829 141301559 /nfs/dbraw/zinc/30/15/59/141301559.db2.gz LBHOAXIRAVHTEF-OALUTQOASA-N 2 0 345.531 3.144 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000185510010 144113959 /nfs/dbraw/zinc/11/39/59/144113959.db2.gz LVWFNMHCTZKUFI-JCYILVPMSA-N 2 0 347.469 3.067 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CCSCC1 ZINC000187279839 144156185 /nfs/dbraw/zinc/15/61/85/144156185.db2.gz IOLLUSHYLMWAOE-MRXNPFEDSA-N 2 0 348.556 3.265 20 0 EGADRP [NH3+]Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)ccn1 ZINC000361608843 144337564 /nfs/dbraw/zinc/33/75/64/144337564.db2.gz GWLYVAFDOUHLEY-UHFFFAOYSA-N 2 0 338.455 3.169 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341391978 155265448 /nfs/dbraw/zinc/26/54/48/155265448.db2.gz JWKGDXPQNRAAQM-PXNSSMCTSA-N 2 0 343.515 3.203 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000180735513 286198411 /nfs/dbraw/zinc/19/84/11/286198411.db2.gz UHWXTBJAXGKVNC-AZUAARDMSA-N 2 0 327.472 3.117 20 0 EGADRP C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCC[NH2+]C1 ZINC000120131787 152253411 /nfs/dbraw/zinc/25/34/11/152253411.db2.gz HGEIOCKDOCSPTM-OAQYLSRUSA-N 2 0 343.515 3.069 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CNCc2nccn2-c2ccccc2)C1 ZINC000191452398 153198410 /nfs/dbraw/zinc/19/84/10/153198410.db2.gz JFJZRPZKPBSGIO-GOSISDBHSA-N 2 0 326.488 3.330 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](CNCc2nccn2-c2ccccc2)C1 ZINC000191452413 153198705 /nfs/dbraw/zinc/19/87/05/153198705.db2.gz JFJZRPZKPBSGIO-SFHVURJKSA-N 2 0 326.488 3.330 20 0 EGADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236972371 153483467 /nfs/dbraw/zinc/48/34/67/153483467.db2.gz FZZJNUHSKKGQKT-NRFANRHFSA-N 2 0 329.532 3.363 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000310103379 154139180 /nfs/dbraw/zinc/13/91/80/154139180.db2.gz YWUCPJIMLIOSSJ-BBWFWOEESA-N 2 0 342.405 3.208 20 0 EGADRP OC1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCC1 ZINC000310180854 154141788 /nfs/dbraw/zinc/14/17/88/154141788.db2.gz WHRGUMDAWFSPST-UHFFFAOYSA-N 2 0 328.500 3.280 20 0 EGADRP CCOC(=O)[C@H](CC)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310815811 154143906 /nfs/dbraw/zinc/14/39/06/154143906.db2.gz AVJVPWNRKFWCPI-IBGZPJMESA-N 2 0 344.499 3.316 20 0 EGADRP C[C@H](C[NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000337343838 154295940 /nfs/dbraw/zinc/29/59/40/154295940.db2.gz YDSLPAGVWZUBLT-CQSZACIVSA-N 2 0 344.421 3.103 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000337410253 154338562 /nfs/dbraw/zinc/33/85/62/154338562.db2.gz WMTUXWUVKRSPGE-JQHSSLGASA-N 2 0 334.504 3.406 20 0 EGADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000337412223 154339835 /nfs/dbraw/zinc/33/98/35/154339835.db2.gz WSROUCBAYYTXGI-FQEVSTJZSA-N 2 0 327.516 3.117 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]12 ZINC000346828918 156155452 /nfs/dbraw/zinc/15/54/52/156155452.db2.gz NQUGMRQRMIUMHF-QXAKKESOSA-N 2 0 332.451 3.195 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]21 ZINC000346845184 156160974 /nfs/dbraw/zinc/16/09/74/156160974.db2.gz ZSXDEFACSRYTKP-BMGDILEWSA-N 2 0 330.863 3.085 20 0 EGADRP CN(CC[N@H+](C)CC1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000349035028 156324285 /nfs/dbraw/zinc/32/42/85/156324285.db2.gz PANDZIKFOBBABI-UHFFFAOYSA-N 2 0 349.485 3.313 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000349056776 156337628 /nfs/dbraw/zinc/33/76/28/156337628.db2.gz LVWXJRQXXYYXIH-PMACEKPBSA-N 2 0 343.515 3.123 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)cc1O ZINC000362084081 157013835 /nfs/dbraw/zinc/01/38/35/157013835.db2.gz AGFLEIRZQCGNOG-INIZCTEOSA-N 2 0 327.428 3.181 20 0 EGADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)cc1 ZINC000362085812 157014972 /nfs/dbraw/zinc/01/49/72/157014972.db2.gz IYDIENXQRBDUOK-IBGZPJMESA-N 2 0 338.455 3.425 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000365445587 157126932 /nfs/dbraw/zinc/12/69/32/157126932.db2.gz WPDLAWYAKORGLB-LJQANCHMSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000163623531 286796619 /nfs/dbraw/zinc/79/66/19/286796619.db2.gz SCKZFFKQGKLOSB-DOTOQJQBSA-N 2 0 349.544 3.027 20 0 EGADRP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129387720 162355490 /nfs/dbraw/zinc/35/54/90/162355490.db2.gz ILEPCNGCSQQQTA-HNNXBMFYSA-N 2 0 345.874 3.042 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000130488387 162370438 /nfs/dbraw/zinc/37/04/38/162370438.db2.gz WALHRJXKPBDOBU-LPHOPBHVSA-N 2 0 331.504 3.443 20 0 EGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151823401 162603935 /nfs/dbraw/zinc/60/39/35/162603935.db2.gz LUMYJBMMPGBDEP-AWEZNQCLSA-N 2 0 340.895 3.094 20 0 EGADRP COC(=O)c1ccc(F)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000248408558 163001731 /nfs/dbraw/zinc/00/17/31/163001731.db2.gz VPWCEZWYPNDWKN-KXBFYZLASA-N 2 0 346.446 3.061 20 0 EGADRP COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248456143 163007065 /nfs/dbraw/zinc/00/70/65/163007065.db2.gz SAPHORNLOOKWMK-VQIMIIECSA-N 2 0 340.467 3.113 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@@H]4OCCC[C@H]24)C3)cc1 ZINC000248763270 163032829 /nfs/dbraw/zinc/03/28/29/163032829.db2.gz DYDOFXQXTQPGHK-RLLAOZKESA-N 2 0 326.484 3.339 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249058318 163053045 /nfs/dbraw/zinc/05/30/45/163053045.db2.gz ZFHXPNGSBPZLSG-XYTVBORESA-N 2 0 349.906 3.142 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000337197820 163160332 /nfs/dbraw/zinc/16/03/32/163160332.db2.gz XQPFLMZYPBPDJN-IBGZPJMESA-N 2 0 327.472 3.168 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(C)nc2)[C@@H](C)C1 ZINC000354334347 166005250 /nfs/dbraw/zinc/00/52/50/166005250.db2.gz MULZMEXSWVBVAG-PXNSSMCTSA-N 2 0 333.520 3.049 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccccc21 ZINC000343727332 164021123 /nfs/dbraw/zinc/02/11/23/164021123.db2.gz STXWNPFGECFNKQ-TXXUCJGISA-N 2 0 336.479 3.460 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745220 164024375 /nfs/dbraw/zinc/02/43/75/164024375.db2.gz RZAODEBTLRCXQI-LPHOPBHVSA-N 2 0 347.478 3.127 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1(C)C ZINC000343950301 164072020 /nfs/dbraw/zinc/07/20/20/164072020.db2.gz ZHUFPJMFDCZPTD-MOPGFXCFSA-N 2 0 349.519 3.094 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H](C)C2 ZINC000343985917 164077723 /nfs/dbraw/zinc/07/77/23/164077723.db2.gz MVWDMPOCUWMSOB-IERDGZPVSA-N 2 0 339.483 3.354 20 0 EGADRP C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988183 164077868 /nfs/dbraw/zinc/07/78/68/164077868.db2.gz YQJLXJQJPFYBAN-QRWLVFNGSA-N 2 0 346.421 3.252 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000343991281 164078257 /nfs/dbraw/zinc/07/82/57/164078257.db2.gz PXWWOYSFAVOWEN-HKUYNNGSSA-N 2 0 331.504 3.471 20 0 EGADRP CCCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000343999188 164079507 /nfs/dbraw/zinc/07/95/07/164079507.db2.gz FJYPQLJYXYHEDC-RTBURBONSA-N 2 0 331.504 3.095 20 0 EGADRP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031851 164087058 /nfs/dbraw/zinc/08/70/58/164087058.db2.gz DCINZIQEFOVZQG-AWEZNQCLSA-N 2 0 329.891 3.355 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cn4c(n3)SCC4)CC2)C1 ZINC000344118147 164107562 /nfs/dbraw/zinc/10/75/62/164107562.db2.gz AYHLBJTYBPFCMP-QAPCUYQASA-N 2 0 348.560 3.164 20 0 EGADRP C[C@@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000344160459 164116711 /nfs/dbraw/zinc/11/67/11/164116711.db2.gz DXDXRXLREWWOER-RXVVDRJESA-N 2 0 329.532 3.391 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000249761867 287041000 /nfs/dbraw/zinc/04/10/00/287041000.db2.gz NHZGFLJWRVSLNJ-IAGOWNOFSA-N 2 0 345.531 3.311 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000344316455 164154740 /nfs/dbraw/zinc/15/47/40/164154740.db2.gz ZYRFNGGAYJTTRZ-INIZCTEOSA-N 2 0 344.503 3.473 20 0 EGADRP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345749510 164257911 /nfs/dbraw/zinc/25/79/11/164257911.db2.gz LDCZUUPFSNCSDR-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP FC(F)COCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000346492857 164386115 /nfs/dbraw/zinc/38/61/15/164386115.db2.gz MANXQHZSNLYSMC-IBGZPJMESA-N 2 0 338.442 3.256 20 0 EGADRP C[N@H+](CCOc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354865387 166051115 /nfs/dbraw/zinc/05/11/15/166051115.db2.gz XCOHFFWGRCEVFZ-UHFFFAOYSA-N 2 0 343.446 3.448 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000350145859 165011675 /nfs/dbraw/zinc/01/16/75/165011675.db2.gz JAMXLYDLDOJACS-UHFFFAOYSA-N 2 0 326.444 3.043 20 0 EGADRP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000350946207 165083912 /nfs/dbraw/zinc/08/39/12/165083912.db2.gz BGFRHGXXPWRGAH-IAGOWNOFSA-N 2 0 345.531 3.088 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000352040396 165205022 /nfs/dbraw/zinc/20/50/22/165205022.db2.gz OWQLEPMZSCASFP-NEWSRXKRSA-N 2 0 331.504 3.105 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000359252176 167106862 /nfs/dbraw/zinc/10/68/62/167106862.db2.gz NZCZLPRVZQYWQL-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359579133 167199408 /nfs/dbraw/zinc/19/94/08/167199408.db2.gz IVJSVPRYGCVYJJ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000359661996 167204492 /nfs/dbraw/zinc/20/44/92/167204492.db2.gz PZZDOJZRPABBBD-UEXGIBASSA-N 2 0 348.531 3.447 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000360720242 167397297 /nfs/dbraw/zinc/39/72/97/167397297.db2.gz XZXIECSSQIHKPD-WIYYLYMNSA-N 2 0 329.532 3.492 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367058499 168174123 /nfs/dbraw/zinc/17/41/23/168174123.db2.gz ULBXMEXIIUFJMI-TZIWHRDSSA-N 2 0 344.547 3.115 20 0 EGADRP C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367618399 168250234 /nfs/dbraw/zinc/25/02/34/168250234.db2.gz PIKVNCCYWSKJAG-CQSZACIVSA-N 2 0 327.925 3.002 20 0 EGADRP C[NH+]1CCC(N2CC[C@H](N[C@@H](c3ccccc3)C(F)(F)F)C2)CC1 ZINC000367873808 168279220 /nfs/dbraw/zinc/27/92/20/168279220.db2.gz JOCYSTXESRZLDO-RDJZCZTQSA-N 2 0 341.421 3.048 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(C)s1 ZINC000159133258 225154456 /nfs/dbraw/zinc/15/44/56/225154456.db2.gz CMTXNEXOKBRRFM-OAHLLOKOSA-N 2 0 344.528 3.363 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000159140184 225154976 /nfs/dbraw/zinc/15/49/76/225154976.db2.gz QUOVJFTZVMDBCU-FQEVSTJZSA-N 2 0 336.495 3.483 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC[N@@H+]1C ZINC000159271977 225184483 /nfs/dbraw/zinc/18/44/83/225184483.db2.gz WDWYYRAJZJADEX-WMLDXEAASA-N 2 0 327.428 3.104 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C[NH+]1CCCC1 ZINC000165268504 226117171 /nfs/dbraw/zinc/11/71/71/226117171.db2.gz ZUCVDYRSDXCAKB-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)CC2 ZINC000122309477 222058075 /nfs/dbraw/zinc/05/80/75/222058075.db2.gz VVDKOALOCBWZAB-FQEVSTJZSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000123722119 222323706 /nfs/dbraw/zinc/32/37/06/222323706.db2.gz FTXRAXHQQXZFQR-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)CN1CC[NH+](C)CC1 ZINC000171764641 227271567 /nfs/dbraw/zinc/27/15/67/227271567.db2.gz PVLRGFLTTDMRIK-INIZCTEOSA-N 2 0 345.462 3.059 20 0 EGADRP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000344112096 287489523 /nfs/dbraw/zinc/48/95/23/287489523.db2.gz VCPCERVJKGIVNI-HXUWFJFHSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000174173424 265029775 /nfs/dbraw/zinc/02/97/75/265029775.db2.gz JUSXRUKGYZQUSM-KBPBESRZSA-N 2 0 346.393 3.379 20 0 EGADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCCC1 ZINC000175315595 265108989 /nfs/dbraw/zinc/10/89/89/265108989.db2.gz VUXBGBWPSWFJBL-GOSISDBHSA-N 2 0 343.515 3.163 20 0 EGADRP CCn1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000178635302 265333238 /nfs/dbraw/zinc/33/32/38/265333238.db2.gz ZBWISTWWXWGLGG-QGZVFWFLSA-N 2 0 326.488 3.466 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000190839269 265865542 /nfs/dbraw/zinc/86/55/42/265865542.db2.gz DUISBRSYMINXTK-OAHLLOKOSA-N 2 0 343.437 3.129 20 0 EGADRP COc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)ccc1C ZINC000194225964 266099272 /nfs/dbraw/zinc/09/92/72/266099272.db2.gz GNHWCUMGZQCOIG-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000236917972 266219743 /nfs/dbraw/zinc/21/97/43/266219743.db2.gz CCVGZINYENVHIV-WOJBJXKFSA-N 2 0 345.531 3.442 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000269630783 266329816 /nfs/dbraw/zinc/32/98/16/266329816.db2.gz HTXHUBRADOUQBN-UHFFFAOYSA-N 2 0 329.532 3.110 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)cc1 ZINC000269684641 266341628 /nfs/dbraw/zinc/34/16/28/266341628.db2.gz NNGQHWRBGJQOFQ-UHFFFAOYSA-N 2 0 348.535 3.010 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272653808 266890332 /nfs/dbraw/zinc/89/03/32/266890332.db2.gz GHUYVYPEYQIHCD-PWRODBHTSA-N 2 0 338.499 3.082 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273258288 267008080 /nfs/dbraw/zinc/00/80/80/267008080.db2.gz SRYJJGNHCZLOGN-MJGOQNOKSA-N 2 0 345.531 3.134 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000273266392 267009121 /nfs/dbraw/zinc/00/91/21/267009121.db2.gz ULTKTTWEMSXYGR-ZHALLVOQSA-N 2 0 345.531 3.180 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cn1 ZINC000274960085 267311822 /nfs/dbraw/zinc/31/18/22/267311822.db2.gz WLVZZHQCECVMSI-AWEZNQCLSA-N 2 0 330.863 3.445 20 0 EGADRP CCOC1CC(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000276592704 267582404 /nfs/dbraw/zinc/58/24/04/267582404.db2.gz JJHMBTAIHVRWLA-ZRZPHAQCSA-N 2 0 334.504 3.483 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc(OC)c1OC ZINC000278449498 268016136 /nfs/dbraw/zinc/01/61/36/268016136.db2.gz LHXCXXAFMQWMIS-CQSZACIVSA-N 2 0 348.487 3.237 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278473298 268020920 /nfs/dbraw/zinc/02/09/20/268020920.db2.gz HQUPXFLRFBMJKU-UHFFFAOYSA-N 2 0 342.886 3.237 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278475815 268021618 /nfs/dbraw/zinc/02/16/18/268021618.db2.gz IKYFLKUYPHRGAB-UHFFFAOYSA-N 2 0 346.425 3.319 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000278504556 268027460 /nfs/dbraw/zinc/02/74/60/268027460.db2.gz QWAYXUZZRSXZSX-HNNXBMFYSA-N 2 0 343.471 3.168 20 0 EGADRP Cn1c(CCC[NH2+]CCCNC(=O)OC(C)(C)C)nc2ccccc21 ZINC000278525884 268031868 /nfs/dbraw/zinc/03/18/68/268031868.db2.gz TXWOSEZKJQQCQB-UHFFFAOYSA-N 2 0 346.475 3.010 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000181418288 275058751 /nfs/dbraw/zinc/05/87/51/275058751.db2.gz ILPCMPRCHHQWNY-ZCNNSNEGSA-N 2 0 332.463 3.171 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000104144534 275164010 /nfs/dbraw/zinc/16/40/10/275164010.db2.gz ACHMZFSPHCUJCO-IBGZPJMESA-N 2 0 331.504 3.017 20 0 EGADRP CC(C)[NH2+]C1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000108367945 275175485 /nfs/dbraw/zinc/17/54/85/275175485.db2.gz HYCSHVBRNWEKGV-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)N(C4CC4)C3)cc2)n1 ZINC000119303222 275189929 /nfs/dbraw/zinc/18/99/29/275189929.db2.gz YTCLIEOVXWAUSF-WMLDXEAASA-N 2 0 340.471 3.056 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)c(F)c1 ZINC000180643927 275203412 /nfs/dbraw/zinc/20/34/12/275203412.db2.gz MNRYUNJLXBFQHX-KDOFPFPSSA-N 2 0 346.421 3.382 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000278590629 275257133 /nfs/dbraw/zinc/25/71/33/275257133.db2.gz YVKQUSCGRWOUED-OAHLLOKOSA-N 2 0 332.488 3.099 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000284459582 275802665 /nfs/dbraw/zinc/80/26/65/275802665.db2.gz JBKQHCQDLYNYKQ-UHFFFAOYSA-N 2 0 336.439 3.106 20 0 EGADRP CC(C)(C)c1ncc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000284526907 275807485 /nfs/dbraw/zinc/80/74/85/275807485.db2.gz ZPNXWSKMQKBGOT-UHFFFAOYSA-N 2 0 339.487 3.175 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000286990823 276067578 /nfs/dbraw/zinc/06/75/78/276067578.db2.gz JQBYRJNJYWVLSF-DZFGPLHGSA-N 2 0 347.547 3.396 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000121198567 276196133 /nfs/dbraw/zinc/19/61/33/276196133.db2.gz FNHLNTQYQPWSTF-SJLPKXTDSA-N 2 0 333.520 3.156 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360839907 276197279 /nfs/dbraw/zinc/19/72/79/276197279.db2.gz ZNMADZPQJPLYCF-FXAWDEMLSA-N 2 0 329.532 3.415 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000246838289 276198671 /nfs/dbraw/zinc/19/86/71/276198671.db2.gz VCKDCLBONMALAE-BEFAXECRSA-N 2 0 333.907 3.039 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000261645762 276199610 /nfs/dbraw/zinc/19/96/10/276199610.db2.gz DBSPPULWKWLNCJ-GVDBMIGSSA-N 2 0 349.544 3.155 20 0 EGADRP CCOC(=O)[C@@H](CC)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310815814 276285169 /nfs/dbraw/zinc/28/51/69/276285169.db2.gz AVJVPWNRKFWCPI-LJQANCHMSA-N 2 0 344.499 3.316 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000289333089 276323467 /nfs/dbraw/zinc/32/34/67/276323467.db2.gz VWWXZUDTGAAHLH-JXFKEZNVSA-N 2 0 340.515 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc2nccn21 ZINC000289539839 276355006 /nfs/dbraw/zinc/35/50/06/276355006.db2.gz WSXNFYPFAZORCC-LJQANCHMSA-N 2 0 349.482 3.216 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CC2 ZINC000290262939 276472449 /nfs/dbraw/zinc/47/24/49/276472449.db2.gz KVIWZUFJNFCFCG-FQEVSTJZSA-N 2 0 339.483 3.498 20 0 EGADRP CSC1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000193661948 278125554 /nfs/dbraw/zinc/12/55/54/278125554.db2.gz KXZIKJRXOBRFBX-UHFFFAOYSA-N 2 0 339.936 3.077 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161678635 288059046 /nfs/dbraw/zinc/05/90/46/288059046.db2.gz IEIOCBDYHRUDES-BBRMVZONSA-N 2 0 327.875 3.156 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374058534 279041849 /nfs/dbraw/zinc/04/18/49/279041849.db2.gz TWUDSOSBECAIFF-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246104798 279189733 /nfs/dbraw/zinc/18/97/33/279189733.db2.gz WVLCJDLJOSBIAG-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCOc3ccccc32)C[C@H](C)O1 ZINC000162863140 288160520 /nfs/dbraw/zinc/16/05/20/288160520.db2.gz GTNHGVUJQHAUSV-ZIFCJYIRSA-N 2 0 332.488 3.379 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000358582377 279791016 /nfs/dbraw/zinc/79/10/16/279791016.db2.gz DLQWZHGXYZEHDP-FQEVSTJZSA-N 2 0 345.531 3.265 20 0 EGADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000357593672 281309183 /nfs/dbraw/zinc/30/91/83/281309183.db2.gz HWBJVONLNDBTJV-AEFFLSMTSA-N 2 0 325.456 3.151 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c2cccs2)CC1 ZINC000342695179 281837833 /nfs/dbraw/zinc/83/78/33/281837833.db2.gz OYBKPRRTRMGMOG-YESZJQIVSA-N 2 0 349.544 3.025 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)oc21 ZINC000181733952 295343757 /nfs/dbraw/zinc/34/37/57/295343757.db2.gz DGWPHUSAAPUKFV-DOTOQJQBSA-N 2 0 346.471 3.329 20 0 EGADRP COc1ccccc1[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000091266642 295385330 /nfs/dbraw/zinc/38/53/30/295385330.db2.gz OBNJBKCUXNPVRI-NRFANRHFSA-N 2 0 345.531 3.154 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2([NH3+])CCCC2)C1 ZINC000237707193 300482389 /nfs/dbraw/zinc/48/23/89/300482389.db2.gz XOYRBTJHQNRQQY-IRXDYDNUSA-N 2 0 343.515 3.052 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000072718560 307381722 /nfs/dbraw/zinc/38/17/22/307381722.db2.gz HDKKZTNOQYZYLN-INIZCTEOSA-N 2 0 349.906 3.476 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@H]1CCOC1 ZINC000120685165 307509762 /nfs/dbraw/zinc/50/97/62/307509762.db2.gz RNOICTRXUAGIBU-FPOVZHCZSA-N 2 0 346.515 3.312 20 0 EGADRP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123194077 307537027 /nfs/dbraw/zinc/53/70/27/307537027.db2.gz RGGSSSVNYSJMST-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000414113535 309061591 /nfs/dbraw/zinc/06/15/91/309061591.db2.gz KTYHXHDQOOQLGP-KBAYOESNSA-N 2 0 338.536 3.059 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414124765 309062446 /nfs/dbraw/zinc/06/24/46/309062446.db2.gz CLNACVNBWPBFNJ-FXAWDEMLSA-N 2 0 339.483 3.133 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000414172698 309064577 /nfs/dbraw/zinc/06/45/77/309064577.db2.gz FBWYNMKXZQARHF-KFKAGJAMSA-N 2 0 332.488 3.235 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414173613 309064597 /nfs/dbraw/zinc/06/45/97/309064597.db2.gz FYUXOBAJHTTYIP-GOEBONIOSA-N 2 0 333.476 3.036 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000414179543 309065182 /nfs/dbraw/zinc/06/51/82/309065182.db2.gz KTCZBOCLAVLPFV-SMMRIJLZSA-N 2 0 334.479 3.408 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414191431 309065856 /nfs/dbraw/zinc/06/58/56/309065856.db2.gz SMAFELWXZIKQMB-HZPDHXFCSA-N 2 0 344.503 3.353 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000155610509 307817516 /nfs/dbraw/zinc/81/75/16/307817516.db2.gz IHAGAJGBQPAJDT-RDJZCZTQSA-N 2 0 329.488 3.418 20 0 EGADRP CC1CC[NH+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000156000847 307825306 /nfs/dbraw/zinc/82/53/06/307825306.db2.gz VNQHOXRREBMXND-UHFFFAOYSA-N 2 0 347.522 3.154 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H](O)C(C)C ZINC000414295319 309071077 /nfs/dbraw/zinc/07/10/77/309071077.db2.gz NPLDNQXXDFCZBV-XDWAVFMPSA-N 2 0 330.516 3.282 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000166107633 307930445 /nfs/dbraw/zinc/93/04/45/307930445.db2.gz YILZJXAACFIHAB-RTWAWAEBSA-N 2 0 329.532 3.234 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000246057902 307964154 /nfs/dbraw/zinc/96/41/54/307964154.db2.gz YWYSMRVECLKFGF-GBESFXJTSA-N 2 0 340.515 3.408 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000248166496 308000134 /nfs/dbraw/zinc/00/01/34/308000134.db2.gz TUDMCRAJMUXREK-RDJZCZTQSA-N 2 0 334.504 3.301 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248424135 308003098 /nfs/dbraw/zinc/00/30/98/308003098.db2.gz HKHUYFGUXNNGFQ-IOMROCGXSA-N 2 0 328.500 3.335 20 0 EGADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248859217 308013472 /nfs/dbraw/zinc/01/34/72/308013472.db2.gz FQTJVTYERRLDQV-WTGUMLROSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(O)c1 ZINC000249512323 308025039 /nfs/dbraw/zinc/02/50/39/308025039.db2.gz ILZYFTKMVNXSPS-UZLBHIALSA-N 2 0 340.467 3.200 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000414439262 309080141 /nfs/dbraw/zinc/08/01/41/309080141.db2.gz WFVLGYWMDLITAY-UHFFFAOYSA-N 2 0 330.451 3.141 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000262663539 308065010 /nfs/dbraw/zinc/06/50/10/308065010.db2.gz HTDAKOWFQZINSI-KURKYZTESA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292881129 308075791 /nfs/dbraw/zinc/07/57/91/308075791.db2.gz DYAOCFKNHXNMAB-KDOFPFPSSA-N 2 0 335.879 3.085 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cn2)CC1 ZINC000293219518 308110679 /nfs/dbraw/zinc/11/06/79/308110679.db2.gz AHDXACMUZWXPOH-GOSISDBHSA-N 2 0 328.504 3.036 20 0 EGADRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+](C)C ZINC000293807890 308164051 /nfs/dbraw/zinc/16/40/51/308164051.db2.gz VJQXDFBDFAHSKR-CHWSQXEVSA-N 2 0 345.409 3.210 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293850112 308167826 /nfs/dbraw/zinc/16/78/26/308167826.db2.gz UDROXFJEXHIQQC-DLBZAZTESA-N 2 0 345.487 3.416 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000294724722 308250028 /nfs/dbraw/zinc/25/00/28/308250028.db2.gz CUVUHYRTOLSNPP-CCNLRDMRSA-N 2 0 329.488 3.235 20 0 EGADRP CSc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000295053625 308285779 /nfs/dbraw/zinc/28/57/79/308285779.db2.gz QMXICCLGONCIOW-LMMKCTJWSA-N 2 0 333.545 3.228 20 0 EGADRP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697858 309095977 /nfs/dbraw/zinc/09/59/77/309095977.db2.gz CLCYVDCEMQZJNK-CEWLAPEOSA-N 3 0 329.532 3.219 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000414701536 309096179 /nfs/dbraw/zinc/09/61/79/309096179.db2.gz ACMAYFZQMOBPRC-GOSISDBHSA-N 2 0 344.503 3.406 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297154073 308504555 /nfs/dbraw/zinc/50/45/55/308504555.db2.gz AZGVCQABLYMSLW-ZFWWWQNUSA-N 2 0 325.884 3.059 20 0 EGADRP COc1cccc(C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C2CCC(O)CC2)c1 ZINC000414746079 309098617 /nfs/dbraw/zinc/09/86/17/309098617.db2.gz LPLXTHIJIOWLKJ-OVZGMEQFSA-N 2 0 346.515 3.189 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1OC ZINC000414784960 309100978 /nfs/dbraw/zinc/10/09/78/309100978.db2.gz RVWYVYWFOFTTPJ-ZIAGYGMSSA-N 2 0 338.879 3.179 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000414786189 309101148 /nfs/dbraw/zinc/10/11/48/309101148.db2.gz UGUXJOMKCXJIKJ-QZTJIDSGSA-N 2 0 338.499 3.217 20 0 EGADRP Brc1csc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414785259 309101205 /nfs/dbraw/zinc/10/12/05/309101205.db2.gz SGBLJZGYPKACRI-NEPJUHHUSA-N 2 0 329.307 3.332 20 0 EGADRP CCc1oc2ccccc2c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414790602 309101557 /nfs/dbraw/zinc/10/15/57/309101557.db2.gz PRHQRTZCSBXFMK-XLIONFOSSA-N 2 0 328.456 3.323 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000414797640 309102160 /nfs/dbraw/zinc/10/21/60/309102160.db2.gz YRCQMPISIYAFSB-CVEARBPZSA-N 2 0 329.271 3.322 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414805812 309102510 /nfs/dbraw/zinc/10/25/10/309102510.db2.gz PVIUMRBYWLWJIY-KBXCAEBGSA-N 2 0 332.879 3.441 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000414804811 309102643 /nfs/dbraw/zinc/10/26/43/309102643.db2.gz PBWFLZFRRWSPKQ-JJRVBVJISA-N 2 0 337.895 3.473 20 0 EGADRP FC(F)(F)CC[NH+]1CCC(NCC[NH2+]C2CCCCCC2)CC1 ZINC000414815150 309103331 /nfs/dbraw/zinc/10/33/31/309103331.db2.gz SNOWPDYPOOZKQZ-UHFFFAOYSA-N 2 0 335.458 3.305 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000414842582 309105086 /nfs/dbraw/zinc/10/50/86/309105086.db2.gz PDTVPQCBQJSOKH-INIZCTEOSA-N 2 0 328.456 3.219 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000309979460 308763091 /nfs/dbraw/zinc/76/30/91/308763091.db2.gz UEVHGNOCTYQURS-OAHLLOKOSA-N 2 0 327.513 3.142 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000310254082 308763710 /nfs/dbraw/zinc/76/37/10/308763710.db2.gz KXJWNDFWNPKMOO-DOTOQJQBSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)[C@H](C[NH2+]C1CC(c2ccccc2Cl)C1)N1CC[NH+](C)CC1 ZINC000324456822 308769267 /nfs/dbraw/zinc/76/92/67/308769267.db2.gz FQKINQXOMPEGJD-UHYCVJNDSA-N 2 0 349.950 3.448 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000410383150 308916712 /nfs/dbraw/zinc/91/67/12/308916712.db2.gz NONAGZUDWXRIPN-KRWDZBQOSA-N 2 0 339.568 3.085 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411534759 308943203 /nfs/dbraw/zinc/94/32/03/308943203.db2.gz QAWHMTJWLXESTF-SJORKVTESA-N 2 0 332.488 3.350 20 0 EGADRP C[NH2+]CCC[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000414857289 309105997 /nfs/dbraw/zinc/10/59/97/309105997.db2.gz CNCXSLOWHRPORS-UHFFFAOYSA-N 2 0 330.476 3.013 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414902096 309108400 /nfs/dbraw/zinc/10/84/00/309108400.db2.gz KGSYMVIAUQLLCJ-CQSZACIVSA-N 2 0 337.895 3.345 20 0 EGADRP CC1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[NH2+]CC1 ZINC000414913847 309108907 /nfs/dbraw/zinc/10/89/07/309108907.db2.gz XDDXENCALVCUQB-UHFFFAOYSA-N 2 0 325.456 3.140 20 0 EGADRP CCOc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc(Cl)c1OC ZINC000414912063 309108943 /nfs/dbraw/zinc/10/89/43/309108943.db2.gz UTDCUBBSAVTVAG-QGZVFWFLSA-N 2 0 326.868 3.227 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)cc2)cs1 ZINC000414955399 309111249 /nfs/dbraw/zinc/11/12/49/309111249.db2.gz UGFSTICVZJVRDX-CZUORRHYSA-N 2 0 331.485 3.261 20 0 EGADRP c1ccc(CC[NH+]2CCC(NC[C@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414958674 309111411 /nfs/dbraw/zinc/11/14/11/309111411.db2.gz RNZDDIDYDNNHLX-HSZRJFAPSA-N 2 0 349.522 3.170 20 0 EGADRP Fc1ccc(Br)c(F)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414962752 309111889 /nfs/dbraw/zinc/11/18/89/309111889.db2.gz KCVZRNULPZFCAD-JTQLQIEISA-N 2 0 333.220 3.349 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414970803 309112217 /nfs/dbraw/zinc/11/22/17/309112217.db2.gz KSVIKDSCNTVSGK-QGZVFWFLSA-N 2 0 332.879 3.456 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414969823 309112224 /nfs/dbraw/zinc/11/22/24/309112224.db2.gz JQIOLTRILITVRI-LJQANCHMSA-N 2 0 325.456 3.138 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414975977 309112573 /nfs/dbraw/zinc/11/25/73/309112573.db2.gz PFALVRIBWBSJKT-GOEBONIOSA-N 2 0 337.895 3.487 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414988345 309112945 /nfs/dbraw/zinc/11/29/45/309112945.db2.gz FSEOGEINGHZIQN-BXUZGUMPSA-N 2 0 327.266 3.065 20 0 EGADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415007883 309113883 /nfs/dbraw/zinc/11/38/83/309113883.db2.gz RVMJCSAZZZKXLO-ZAAXVRCTSA-N 2 0 334.479 3.314 20 0 EGADRP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415007881 309113898 /nfs/dbraw/zinc/11/38/98/309113898.db2.gz RVMJCSAZZZKXLO-MOXGXCLJSA-N 2 0 334.479 3.314 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415013459 309114218 /nfs/dbraw/zinc/11/42/18/309114218.db2.gz KXLIFJHCOKOLGX-ZIAGYGMSSA-N 2 0 325.884 3.473 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000415015597 309114480 /nfs/dbraw/zinc/11/44/80/309114480.db2.gz OJSMWIMTUKODDQ-GFCCVEGCSA-N 2 0 333.457 3.146 20 0 EGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)CCC[NH3+])c2)cc1 ZINC000415024556 309114932 /nfs/dbraw/zinc/11/49/32/309114932.db2.gz PBCAPRDZVWYEFS-HNNXBMFYSA-N 2 0 341.455 3.165 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(C)c1 ZINC000415024680 309114999 /nfs/dbraw/zinc/11/49/99/309114999.db2.gz NYKJMSOEBYQXPL-KZNAEPCWSA-N 2 0 331.504 3.375 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415027841 309115174 /nfs/dbraw/zinc/11/51/74/309115174.db2.gz BSJNXUFSIKPMEB-HUUCEWRRSA-N 2 0 331.485 3.248 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cs2)cc1 ZINC000415027839 309115220 /nfs/dbraw/zinc/11/52/20/309115220.db2.gz BSJNXUFSIKPMEB-GJZGRUSLSA-N 2 0 331.485 3.248 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415049297 309116485 /nfs/dbraw/zinc/11/64/85/309116485.db2.gz XTWNEDFYAPUARL-YESZJQIVSA-N 2 0 342.405 3.310 20 0 EGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415067276 309117994 /nfs/dbraw/zinc/11/79/94/309117994.db2.gz KLPJSOMZMLDMKQ-UHFFFAOYSA-N 2 0 338.377 3.327 20 0 EGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CCC[NH2+]C3CC3)cc2)n1 ZINC000415070575 309118059 /nfs/dbraw/zinc/11/80/59/309118059.db2.gz RBSKJQABJGGHHC-UHFFFAOYSA-N 2 0 338.377 3.123 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1OCC(F)(F)F ZINC000415081956 309119104 /nfs/dbraw/zinc/11/91/04/309119104.db2.gz LAZLAFBLYIUZAB-GXTWGEPZSA-N 2 0 346.393 3.114 20 0 EGADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000415085684 309119347 /nfs/dbraw/zinc/11/93/47/309119347.db2.gz QZHUSNXSFHLOMI-GOEBONIOSA-N 2 0 330.501 3.258 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415122403 309121966 /nfs/dbraw/zinc/12/19/66/309121966.db2.gz JYYNHPLZBVWTJK-MAUKXSAKSA-N 2 0 338.879 3.067 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415126778 309122273 /nfs/dbraw/zinc/12/22/73/309122273.db2.gz GVEYKEAQXNRGPJ-QUCCMNQESA-N 2 0 329.532 3.396 20 0 EGADRP Clc1ccc(Cl)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415133227 309122891 /nfs/dbraw/zinc/12/28/91/309122891.db2.gz BXPPLMZZPNRQPF-ZBFHGGJFSA-N 2 0 341.282 3.194 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000415134512 309123092 /nfs/dbraw/zinc/12/30/92/309123092.db2.gz OQKHMNJDEPPSJV-RUYXUALKSA-N 2 0 329.532 3.394 20 0 EGADRP c1nc(C2CCCC2)sc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415144678 309123531 /nfs/dbraw/zinc/12/35/31/309123531.db2.gz VSWZDLJWNAOZLO-SJORKVTESA-N 2 0 347.528 3.001 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)ccc21 ZINC000415790842 309143977 /nfs/dbraw/zinc/14/39/77/309143977.db2.gz PWTADRQCQPIBGR-DOXZYTNZSA-N 2 0 344.503 3.122 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C[NH2+]C ZINC000415912961 309148191 /nfs/dbraw/zinc/14/81/91/309148191.db2.gz NVBDURUQYMCHHM-IEBWSBKVSA-N 2 0 346.519 3.428 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc(C[NH2+]C)c2)c1 ZINC000415915377 309148276 /nfs/dbraw/zinc/14/82/76/309148276.db2.gz FAHGEWXQJXSPAU-UHFFFAOYSA-N 2 0 340.471 3.179 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000415927927 309149288 /nfs/dbraw/zinc/14/92/88/309149288.db2.gz DWASGMIBPCEHRF-HZPDHXFCSA-N 2 0 332.492 3.181 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415935197 309149807 /nfs/dbraw/zinc/14/98/07/309149807.db2.gz RGDRCFGSLDSITR-QGZVFWFLSA-N 2 0 346.519 3.430 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415966631 309151779 /nfs/dbraw/zinc/15/17/79/309151779.db2.gz AOJHQCPNNJFYLD-UHFFFAOYSA-N 2 0 340.471 3.307 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415975213 309152348 /nfs/dbraw/zinc/15/23/48/309152348.db2.gz LWPPADXEVWJZLL-UHFFFAOYSA-N 2 0 340.471 3.177 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000415981268 309152608 /nfs/dbraw/zinc/15/26/08/309152608.db2.gz VAGNKSLYEPCRAN-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000415985641 309152946 /nfs/dbraw/zinc/15/29/46/309152946.db2.gz SXBUBEYRNJKCNZ-DNVCBOLYSA-N 2 0 340.471 3.219 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416160405 309161484 /nfs/dbraw/zinc/16/14/84/309161484.db2.gz XZUMRFUHVLBMJL-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C(C)(C)C ZINC000417678084 309217383 /nfs/dbraw/zinc/21/73/83/309217383.db2.gz IXCQAJWWEKXWLS-ROUUACIJSA-N 2 0 348.535 3.132 20 0 EGADRP Cc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784328 309222008 /nfs/dbraw/zinc/22/20/08/309222008.db2.gz CEXJBXHTSNBFLF-MJGOQNOKSA-N 2 0 326.488 3.213 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418127728 309236671 /nfs/dbraw/zinc/23/66/71/309236671.db2.gz AHDALZMNWDJVDM-KRWDZBQOSA-N 2 0 339.474 3.074 20 0 EGADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000420266953 309278656 /nfs/dbraw/zinc/27/86/56/309278656.db2.gz WKJSESOIWBSYNX-CHWSQXEVSA-N 2 0 333.382 3.190 20 0 EGADRP COCC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)c1ccccc1 ZINC000420295497 309279879 /nfs/dbraw/zinc/27/98/79/309279879.db2.gz ARPOQMTXZYUWNR-YLJYHZDGSA-N 2 0 342.483 3.447 20 0 EGADRP COCC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420300370 309280267 /nfs/dbraw/zinc/28/02/67/309280267.db2.gz KEOLTDYGLLXBSD-AWEZNQCLSA-N 2 0 328.859 3.317 20 0 EGADRP c1ccc(C(c2ccccc2)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420308067 309280902 /nfs/dbraw/zinc/28/09/02/309280902.db2.gz RXNFANPMUSRTHP-HXUWFJFHSA-N 2 0 349.522 3.393 20 0 EGADRP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420320019 309281897 /nfs/dbraw/zinc/28/18/97/309281897.db2.gz QAFLMJRXYZTDNR-SFHVURJKSA-N 2 0 326.488 3.229 20 0 EGADRP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420321252 309282054 /nfs/dbraw/zinc/28/20/54/309282054.db2.gz COWOYUJLAYVRPZ-QZTJIDSGSA-N 2 0 325.456 3.472 20 0 EGADRP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420320299 309282173 /nfs/dbraw/zinc/28/21/73/309282173.db2.gz BDDNEHGBNOVWAN-IRXDYDNUSA-N 2 0 341.455 3.172 20 0 EGADRP CCOc1cc2c(cc1OCC)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420326752 309282298 /nfs/dbraw/zinc/28/22/98/309282298.db2.gz XOSDVKZKXQRPGJ-INIZCTEOSA-N 2 0 332.488 3.232 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000420323456 309282452 /nfs/dbraw/zinc/28/24/52/309282452.db2.gz UHVAJFOBXKEOKH-FSSWDIPSSA-N 2 0 338.495 3.015 20 0 EGADRP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)ccc1F ZINC000420334821 309282756 /nfs/dbraw/zinc/28/27/56/309282756.db2.gz LISCYRWVSJCHTD-CWRNSKLLSA-N 2 0 344.434 3.177 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334327 309282911 /nfs/dbraw/zinc/28/29/11/309282911.db2.gz GDSKIECXPQEZCI-RCCFBDPRSA-N 2 0 343.515 3.459 20 0 EGADRP Cc1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420338793 309283179 /nfs/dbraw/zinc/28/31/79/309283179.db2.gz XZVNZISFCKIFNG-HOTGVXAUSA-N 2 0 344.434 3.006 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344040 309283470 /nfs/dbraw/zinc/28/34/70/309283470.db2.gz RUODCXOQDGQSIN-FHWLQOOXSA-N 2 0 343.515 3.260 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000420357297 309283952 /nfs/dbraw/zinc/28/39/52/309283952.db2.gz HDBYNMDILYLPEP-OAHLLOKOSA-N 2 0 330.394 3.452 20 0 EGADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420373358 309284840 /nfs/dbraw/zinc/28/48/40/309284840.db2.gz GIVLVBRPSOUCKA-WMZOPIPTSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000420395494 309286226 /nfs/dbraw/zinc/28/62/26/309286226.db2.gz DMCBOQYKFKIMCA-CZUORRHYSA-N 2 0 346.450 3.033 20 0 EGADRP Cc1ccccc1[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(C)C ZINC000420407218 309286826 /nfs/dbraw/zinc/28/68/26/309286826.db2.gz OFWSIGOWPXRPPI-PCCBWWKXSA-N 2 0 326.484 3.213 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(C4CC4)c3)CC2)CC1 ZINC000421347048 309319353 /nfs/dbraw/zinc/31/93/53/309319353.db2.gz UEXFKZZQDDDTSQ-UHFFFAOYSA-N 2 0 341.543 3.414 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421371015 309321236 /nfs/dbraw/zinc/32/12/36/309321236.db2.gz XKLNUZWVLWREGA-NHCUHLMSSA-N 2 0 328.500 3.422 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421832639 309342398 /nfs/dbraw/zinc/34/23/98/309342398.db2.gz GPFRVMKXJOTLEM-ZNMIVQPWSA-N 2 0 325.884 3.275 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421840336 309342616 /nfs/dbraw/zinc/34/26/16/309342616.db2.gz YSHGBRIWESNGIT-ZFWWWQNUSA-N 2 0 328.884 3.356 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421840334 309342658 /nfs/dbraw/zinc/34/26/58/309342658.db2.gz YSHGBRIWESNGIT-HIFRSBDPSA-N 2 0 328.884 3.356 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCC1 ZINC000421842494 309342840 /nfs/dbraw/zinc/34/28/40/309342840.db2.gz OAGGTYCWXQZMML-XLIONFOSSA-N 2 0 346.515 3.081 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1C[NH3+] ZINC000422559439 309361711 /nfs/dbraw/zinc/36/17/11/309361711.db2.gz CWABVTWHRVBGLO-VYDXJSESSA-N 2 0 326.444 3.074 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422636684 309363063 /nfs/dbraw/zinc/36/30/63/309363063.db2.gz NLWIVKDPYSSCDA-KKUMJFAQSA-N 2 0 335.517 3.042 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422702142 309363830 /nfs/dbraw/zinc/36/38/30/309363830.db2.gz KCYCNQNUGIYAGJ-WFASDCNBSA-N 2 0 329.257 3.238 20 0 EGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2sccc2C1 ZINC000422714590 309364394 /nfs/dbraw/zinc/36/43/94/309364394.db2.gz LEMDTRSFBKFLRH-GJYPPUQNSA-N 2 0 343.540 3.043 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422713636 309364483 /nfs/dbraw/zinc/36/44/83/309364483.db2.gz KDTBDZJRNWBPBK-PBHICJAKSA-N 2 0 327.428 3.010 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422715512 309364655 /nfs/dbraw/zinc/36/46/55/309364655.db2.gz SEIZTWSLYPWVGF-VQIMIIECSA-N 2 0 341.430 3.295 20 0 EGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422716675 309364678 /nfs/dbraw/zinc/36/46/78/309364678.db2.gz NQAYOKIARNDRDF-VBKZILBWSA-N 2 0 328.431 3.316 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000422722372 309364790 /nfs/dbraw/zinc/36/47/90/309364790.db2.gz XNLGSBIDZJFNQA-ZIAGYGMSSA-N 2 0 344.528 3.008 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccccc2)C2CCC2)CC[NH2+]CC1 ZINC000422719351 309364817 /nfs/dbraw/zinc/36/48/17/309364817.db2.gz QVMOALCLLZAZEH-QFBILLFUSA-N 2 0 344.499 3.439 20 0 EGADRP CN(C)c1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422722940 309365162 /nfs/dbraw/zinc/36/51/62/309365162.db2.gz ZDMGKIDKQGWGDS-CTNGQTDRSA-N 2 0 337.467 3.098 20 0 EGADRP C[C@H]([NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000422725939 309365219 /nfs/dbraw/zinc/36/52/19/309365219.db2.gz CPXQQGURDDTMDR-HQRMLTQVSA-N 2 0 329.532 3.047 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422747467 309366193 /nfs/dbraw/zinc/36/61/93/309366193.db2.gz YUVOZLMDLUJGJG-KPACCLEDSA-N 2 0 327.516 3.332 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422758769 309366964 /nfs/dbraw/zinc/36/69/64/309366964.db2.gz KRNOYFPOTXZGSS-MAUKXSAKSA-N 2 0 336.907 3.366 20 0 EGADRP COc1ccc(C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000422767323 309367392 /nfs/dbraw/zinc/36/73/92/309367392.db2.gz MUPRBHMBNHELOE-QVKFZJNVSA-N 2 0 340.467 3.185 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422784376 309368059 /nfs/dbraw/zinc/36/80/59/309368059.db2.gz PNZIHKRSIUMJHO-LAUBAEHRSA-N 3 0 345.531 3.027 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422787474 309368255 /nfs/dbraw/zinc/36/82/55/309368255.db2.gz MEYBNACICIEMQA-UYAOXDASSA-N 2 0 326.488 3.155 20 0 EGADRP COc1ccc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422795559 309368617 /nfs/dbraw/zinc/36/86/17/309368617.db2.gz HOIWTWCPNZBCPO-PCCBWWKXSA-N 2 0 340.467 3.095 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000422798291 309369071 /nfs/dbraw/zinc/36/90/71/309369071.db2.gz QNIQDCNZNMXKIC-DVOMOZLQSA-N 2 0 341.293 3.324 20 0 EGADRP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422820956 309370098 /nfs/dbraw/zinc/37/00/98/309370098.db2.gz TUOATIHSAOHDIZ-BBWFWOEESA-N 2 0 347.469 3.161 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422817268 309370132 /nfs/dbraw/zinc/37/01/32/309370132.db2.gz CRFOLOXGXOXRFB-MAUKXSAKSA-N 2 0 340.467 3.241 20 0 EGADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422838660 309371169 /nfs/dbraw/zinc/37/11/69/309371169.db2.gz OSXXSEFRILAWIE-GVDBMIGSSA-N 2 0 348.487 3.113 20 0 EGADRP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422842567 309371461 /nfs/dbraw/zinc/37/14/61/309371461.db2.gz FYHSKXYOTULMLM-SVGFKBNWSA-N 2 0 336.476 3.109 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845138 309371600 /nfs/dbraw/zinc/37/16/00/309371600.db2.gz NORWUBNGDPMENA-BHDDXSALSA-N 2 0 341.543 3.204 20 0 EGADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422851711 309371995 /nfs/dbraw/zinc/37/19/95/309371995.db2.gz FSSWVHSQRFSOBQ-VAMGGRTRSA-N 2 0 346.515 3.421 20 0 EGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422852367 309372121 /nfs/dbraw/zinc/37/21/21/309372121.db2.gz QNOZEWNLXPFDEF-NCXUSEDFSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCC[C@H]1C ZINC000422862972 309372616 /nfs/dbraw/zinc/37/26/16/309372616.db2.gz OIRYLOMQMSVXPX-REHHDOPLSA-N 2 0 343.515 3.095 20 0 EGADRP Cc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)[NH+]2CCCC2)o1 ZINC000422880846 309373671 /nfs/dbraw/zinc/37/36/71/309373671.db2.gz OYPMIIDGKWINNX-QYZOEREBSA-N 2 0 325.456 3.459 20 0 EGADRP COCCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422886440 309374216 /nfs/dbraw/zinc/37/42/16/309374216.db2.gz IZUUUCQSCFHGOI-FXAWDEMLSA-N 2 0 330.472 3.039 20 0 EGADRP Cc1nc(C)c(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422891320 309374405 /nfs/dbraw/zinc/37/44/05/309374405.db2.gz VDZLRMCSBRVWBD-APWZRJJASA-N 2 0 343.496 3.148 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(N2CCCCC2)n1 ZINC000422894757 309374707 /nfs/dbraw/zinc/37/47/07/309374707.db2.gz DDTOMGKTNBVKBN-IPMKNSEASA-N 2 0 328.504 3.082 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cn2)c1 ZINC000422895950 309374746 /nfs/dbraw/zinc/37/47/46/309374746.db2.gz GWZWMYBNIXOVIC-MAUKXSAKSA-N 2 0 327.428 3.100 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cn2)c1 ZINC000422895952 309374783 /nfs/dbraw/zinc/37/47/83/309374783.db2.gz GWZWMYBNIXOVIC-YJBOKZPZSA-N 2 0 327.428 3.100 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422908881 309375566 /nfs/dbraw/zinc/37/55/66/309375566.db2.gz NAIDEPIVUIETOU-VBNZEHGJSA-N 2 0 344.421 3.325 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccc1-n1ccnc1 ZINC000422905735 309375582 /nfs/dbraw/zinc/37/55/82/309375582.db2.gz SPPBFZPABLCRSK-NZSAHSFTSA-N 2 0 342.462 3.412 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422910922 309375739 /nfs/dbraw/zinc/37/57/39/309375739.db2.gz RWCOGLLCFCYBTG-JQHSSLGASA-N 2 0 334.529 3.433 20 0 EGADRP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422913960 309375994 /nfs/dbraw/zinc/37/59/94/309375994.db2.gz ZOCHJWOHFYQALP-LVCYWYKZSA-N 2 0 325.500 3.055 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422938950 309377120 /nfs/dbraw/zinc/37/71/20/309377120.db2.gz FEWRKQUCZDCLCL-GJZGRUSLSA-N 2 0 327.266 3.078 20 0 EGADRP Cn1cc(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)cn1 ZINC000422965033 309378743 /nfs/dbraw/zinc/37/87/43/309378743.db2.gz NJSHIGGQNKGQEZ-PWRODBHTSA-N 2 0 338.499 3.488 20 0 EGADRP COc1cc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(OC)c1 ZINC000423003443 309380398 /nfs/dbraw/zinc/38/03/98/309380398.db2.gz MCDQCSKVSGJBBI-HSALFYBXSA-N 2 0 347.503 3.016 20 0 EGADRP COCCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423004372 309380436 /nfs/dbraw/zinc/38/04/36/309380436.db2.gz OUIHFJLVLOGCSX-VAMGGRTRSA-N 2 0 332.488 3.112 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423012167 309380873 /nfs/dbraw/zinc/38/08/73/309380873.db2.gz KENREDGPNHFFJY-XKGZKEIXSA-N 2 0 341.474 3.343 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015513 309381093 /nfs/dbraw/zinc/38/10/93/309381093.db2.gz RIBMGIBNMQLLHK-VHSXEESVSA-N 2 0 339.789 3.238 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423028185 309381807 /nfs/dbraw/zinc/38/18/07/309381807.db2.gz QJDUIRLIWMYUQD-YOEHRIQHSA-N 2 0 344.890 3.432 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031258 309382140 /nfs/dbraw/zinc/38/21/40/309382140.db2.gz WXLQORNGHYIMTQ-AQNCSGRASA-N 2 0 339.886 3.060 20 0 EGADRP CCC(CC)(C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OC)c(OC)c1 ZINC000423046224 309382910 /nfs/dbraw/zinc/38/29/10/309382910.db2.gz FDZDSERQQBPIRJ-WBVHZDCISA-N 2 0 334.504 3.492 20 0 EGADRP Fc1ccc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423049907 309382975 /nfs/dbraw/zinc/38/29/75/309382975.db2.gz KHHHXARFYCZOHM-ATZDWAIDSA-N 2 0 338.442 3.034 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000423055194 309383300 /nfs/dbraw/zinc/38/33/00/309383300.db2.gz CWPDJTCXXROQAL-LMMKCTJWSA-N 2 0 335.536 3.211 20 0 EGADRP C[C@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423054503 309383430 /nfs/dbraw/zinc/38/34/30/309383430.db2.gz UUQGXYCFAWDHHJ-VBNZEHGJSA-N 2 0 329.410 3.038 20 0 EGADRP CN1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC000423060901 309383741 /nfs/dbraw/zinc/38/37/41/309383741.db2.gz PQRHZADVSDHPBZ-FRYIKTPZSA-N 2 0 327.516 3.196 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423065522 309384143 /nfs/dbraw/zinc/38/41/43/309384143.db2.gz BNDCCYLNBFXBAX-CORIIIEPSA-N 2 0 328.287 3.289 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423068483 309384238 /nfs/dbraw/zinc/38/42/38/309384238.db2.gz JZODNJQENOBJCZ-SMDDNHRTSA-N 2 0 344.286 3.206 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423069667 309384343 /nfs/dbraw/zinc/38/43/43/309384343.db2.gz BMGSDQQBXGBMMB-NMLACTOBSA-N 2 0 334.479 3.192 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1C[NH2+]C1 ZINC000423072611 309384519 /nfs/dbraw/zinc/38/45/19/309384519.db2.gz PVEHKCQBKFIPKT-FZMZJTMJSA-N 2 0 328.287 3.160 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423081425 309384978 /nfs/dbraw/zinc/38/49/78/309384978.db2.gz BRGLJWRQFASVDS-KSSFIOAISA-N 2 0 348.462 3.114 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423084909 309385218 /nfs/dbraw/zinc/38/52/18/309385218.db2.gz IYEANFBIVUEZFE-PBHICJAKSA-N 2 0 329.419 3.491 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423084097 309385254 /nfs/dbraw/zinc/38/52/54/309385254.db2.gz HGSXSAMPCBTEMB-RCKXYERXSA-N 2 0 330.516 3.443 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423090652 309385306 /nfs/dbraw/zinc/38/53/06/309385306.db2.gz YAEGEHCIRSQBMX-DNVCBOLYSA-N 2 0 326.488 3.214 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092483 309385484 /nfs/dbraw/zinc/38/54/84/309385484.db2.gz CAMMFNMDHJCBNK-IOMROCGXSA-N 2 0 329.532 3.332 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000423119170 309386913 /nfs/dbraw/zinc/38/69/13/309386913.db2.gz BMZRYEGNPDQEJP-LLVKDONJSA-N 2 0 342.365 3.058 20 0 EGADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423123758 309387125 /nfs/dbraw/zinc/38/71/25/309387125.db2.gz NFZSQZJDZZJQKB-YMQHIKHWSA-N 2 0 328.500 3.053 20 0 EGADRP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423125247 309387166 /nfs/dbraw/zinc/38/71/66/309387166.db2.gz PYXAJSLLPWXLIH-YIYPIFLZSA-N 2 0 326.893 3.136 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423146496 309388294 /nfs/dbraw/zinc/38/82/94/309388294.db2.gz POQNDMBDSJCNOT-FZMZJTMJSA-N 2 0 331.685 3.362 20 0 EGADRP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423162565 309388860 /nfs/dbraw/zinc/38/88/60/309388860.db2.gz UCAGYUJURLKHGC-FDKIHUSFSA-N 2 0 328.500 3.317 20 0 EGADRP CC1(C)[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423171271 309389057 /nfs/dbraw/zinc/38/90/57/309389057.db2.gz NVSDEVMTTWUJMI-IVDHNXQLSA-N 2 0 328.500 3.173 20 0 EGADRP COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423169497 309389097 /nfs/dbraw/zinc/38/90/97/309389097.db2.gz WCEMXLYPCAWDEM-OLZOCXBDSA-N 2 0 331.435 3.278 20 0 EGADRP COCC1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423174411 309389155 /nfs/dbraw/zinc/38/91/55/309389155.db2.gz CAXWWWOKACDCKW-BPCFOJMASA-N 2 0 330.472 3.037 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423268263 309393165 /nfs/dbraw/zinc/39/31/65/309393165.db2.gz FSFZLBFEMYIDKC-ZOBUZTSGSA-N 2 0 338.467 3.280 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423268257 309393242 /nfs/dbraw/zinc/39/32/42/309393242.db2.gz FSFZLBFEMYIDKC-UXLLHSPISA-N 2 0 338.467 3.280 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423272877 309393616 /nfs/dbraw/zinc/39/36/16/309393616.db2.gz KEDPZELHBJSZHS-MLGOLLRUSA-N 2 0 325.294 3.215 20 0 EGADRP CCc1ccc([C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000423307674 309394666 /nfs/dbraw/zinc/39/46/66/309394666.db2.gz NNLVHOWOCITCAS-YWZLYKJASA-N 2 0 339.483 3.301 20 0 EGADRP CCc1ccc([C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000423307672 309394711 /nfs/dbraw/zinc/39/47/11/309394711.db2.gz NNLVHOWOCITCAS-QRWLVFNGSA-N 2 0 339.483 3.301 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423324116 309395134 /nfs/dbraw/zinc/39/51/34/309395134.db2.gz IITJMFPEHHKHSW-KXBFYZLASA-N 2 0 332.492 3.257 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423322578 309395162 /nfs/dbraw/zinc/39/51/62/309395162.db2.gz IVYVHKCZLUQDCV-OXQOHEQNSA-N 2 0 337.467 3.101 20 0 EGADRP CC1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC[NH2+]CC1 ZINC000423326948 309395279 /nfs/dbraw/zinc/39/52/79/309395279.db2.gz KVANSWXRDHYQPU-LLVKDONJSA-N 2 0 329.307 3.477 20 0 EGADRP CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423326386 309395308 /nfs/dbraw/zinc/39/53/08/309395308.db2.gz KLGFOVOAXMAKET-PWRODBHTSA-N 3 0 341.543 3.409 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@H](C)CC[NH2+]3)cc2)CC1 ZINC000423327307 309395429 /nfs/dbraw/zinc/39/54/29/309395429.db2.gz KCVGXGHVUQXFJH-VQIMIIECSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@]1(C[NH2+][C@H]2CCc3sc(Br)cc32)CCC[NH2+]C1 ZINC000423330265 309395593 /nfs/dbraw/zinc/39/55/93/309395593.db2.gz FQDIEKAQRACTFC-FZMZJTMJSA-N 2 0 329.307 3.477 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)[NH3+] ZINC000423335136 309395658 /nfs/dbraw/zinc/39/56/58/309395658.db2.gz PNWFSAGYLGUJMP-MBOZVWFJSA-N 2 0 345.531 3.154 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000423346572 309396480 /nfs/dbraw/zinc/39/64/80/309396480.db2.gz YRJCJMMYAYGIMH-LPHOPBHVSA-N 2 0 331.504 3.476 20 0 EGADRP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H](C)[NH3+] ZINC000423352819 309396575 /nfs/dbraw/zinc/39/65/75/309396575.db2.gz BYLCVZWESSDUSN-PXNSSMCTSA-N 2 0 345.531 3.154 20 0 EGADRP Brc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)s1 ZINC000423357005 309396863 /nfs/dbraw/zinc/39/68/63/309396863.db2.gz ROPHRYBAGFVFIQ-CQSZACIVSA-N 2 0 327.291 3.471 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccc5c(c4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC000423366189 309397110 /nfs/dbraw/zinc/39/71/10/309397110.db2.gz BQTHCQIIIMRYMN-WWNPGLIZSA-N 2 0 347.506 3.290 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423383584 309398005 /nfs/dbraw/zinc/39/80/05/309398005.db2.gz GZXXGYDJYAYEGS-CYBMUJFWSA-N 2 0 341.293 3.116 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423383594 309398060 /nfs/dbraw/zinc/39/80/60/309398060.db2.gz KKZNDFTWAXKQJR-HGJUEJDCSA-N 3 0 327.516 3.147 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC[NH2+]CC1 ZINC000423402730 309398791 /nfs/dbraw/zinc/39/87/91/309398791.db2.gz HCRVHCCBALTHDX-OAHLLOKOSA-N 2 0 346.471 3.417 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000423427443 309400125 /nfs/dbraw/zinc/40/01/25/309400125.db2.gz QKOMOUQFWFHMDH-KBAYOESNSA-N 2 0 341.503 3.300 20 0 EGADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423447135 309400805 /nfs/dbraw/zinc/40/08/05/309400805.db2.gz SZSYKDWJDAGIIX-HFSMHLIXSA-N 2 0 336.483 3.227 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423463127 309401106 /nfs/dbraw/zinc/40/11/06/309401106.db2.gz UZRFNPGPNAKMOT-BXUZGUMPSA-N 2 0 327.266 3.380 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423480936 309402022 /nfs/dbraw/zinc/40/20/22/309402022.db2.gz NSXJDEHAMLOFSZ-IRXDYDNUSA-N 2 0 332.879 3.285 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cccnc2)c(F)c1 ZINC000423551203 309406104 /nfs/dbraw/zinc/40/61/04/309406104.db2.gz UDTFELXIECTECA-YBLQJDFOSA-N 2 0 343.421 3.427 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000423753020 309411516 /nfs/dbraw/zinc/41/15/16/309411516.db2.gz BGJKMOOXHDBPGW-PKOBYXMFSA-N 2 0 343.515 3.289 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000423773843 309412115 /nfs/dbraw/zinc/41/21/15/309412115.db2.gz NAOMYOJYHHLCJK-RLLQIKCJSA-N 2 0 341.499 3.184 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)NC2CCC3(CCCCC3)CC2)CC1 ZINC000423795094 309413119 /nfs/dbraw/zinc/41/31/19/309413119.db2.gz LCKCXODUJWIYCJ-UHFFFAOYSA-N 2 0 335.536 3.199 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000424269952 309435463 /nfs/dbraw/zinc/43/54/63/309435463.db2.gz AQKVQDBBZGVROG-CABCVRRESA-N 2 0 339.911 3.025 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000427273007 309526204 /nfs/dbraw/zinc/52/62/04/309526204.db2.gz KWRPQBAIDKOFKX-HDYDNRTBSA-N 2 0 349.563 3.125 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000435394429 309731589 /nfs/dbraw/zinc/73/15/89/309731589.db2.gz KGECEMMNUADIHD-OAHLLOKOSA-N 2 0 325.456 3.316 20 0 EGADRP CCCN(CCC)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443604233 309904425 /nfs/dbraw/zinc/90/44/25/309904425.db2.gz LFJYKTUKIWLPSN-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447569786 309982501 /nfs/dbraw/zinc/98/25/01/309982501.db2.gz DIZYZHICRBDQJS-AWEZNQCLSA-N 2 0 345.487 3.179 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447599346 309983914 /nfs/dbraw/zinc/98/39/14/309983914.db2.gz JPBGRZSQNGDBNZ-XLIONFOSSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc4cccnc4o3)CC2)C[C@@H](C)O1 ZINC000449015782 310029174 /nfs/dbraw/zinc/02/91/74/310029174.db2.gz CKWHNCCKAPNLON-HZPDHXFCSA-N 2 0 343.471 3.149 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000449125048 310038733 /nfs/dbraw/zinc/03/87/33/310038733.db2.gz RMKHXIOFSLXSJU-AEFFLSMTSA-N 2 0 330.472 3.046 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000449125049 310038764 /nfs/dbraw/zinc/03/87/64/310038764.db2.gz RMKHXIOFSLXSJU-FUHWJXTLSA-N 2 0 330.472 3.046 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000449203874 310044236 /nfs/dbraw/zinc/04/42/36/310044236.db2.gz IJEPODNMPXXBKR-HBGVWJBISA-N 2 0 328.500 3.239 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449233765 310046506 /nfs/dbraw/zinc/04/65/06/310046506.db2.gz MXXDITHDOPKDCN-VQTJNVASSA-N 2 0 328.500 3.456 20 0 EGADRP CC1=CC[N@H+](CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449241283 310047044 /nfs/dbraw/zinc/04/70/44/310047044.db2.gz AIGDYAYVGIENCP-FQEVSTJZSA-N 2 0 341.543 3.324 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccncc1F ZINC000449241113 310047191 /nfs/dbraw/zinc/04/71/91/310047191.db2.gz RERJYUPKNAQMHE-UHFFFAOYSA-N 2 0 328.435 3.354 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000449314165 310052536 /nfs/dbraw/zinc/05/25/36/310052536.db2.gz QISBXVDPDVIMDH-PKOBYXMFSA-N 2 0 349.563 3.312 20 0 EGADRP CCO[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C[C@H]1C ZINC000449501817 310067317 /nfs/dbraw/zinc/06/73/17/310067317.db2.gz WEQLXXQQLZXHSU-WIYYLYMNSA-N 2 0 345.531 3.075 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnc(C)cc2C)CC1 ZINC000449736860 310083334 /nfs/dbraw/zinc/08/33/34/310083334.db2.gz WYXGKSJFFNHPAN-UHFFFAOYSA-N 2 0 338.499 3.130 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000449753941 310084637 /nfs/dbraw/zinc/08/46/37/310084637.db2.gz PGIQUJUWUWAMJP-UHFFFAOYSA-N 2 0 343.437 3.211 20 0 EGADRP CC[NH+](CC)CCOC1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450449519 310123282 /nfs/dbraw/zinc/12/32/82/310123282.db2.gz FFJOWRASGGSOMJ-LJQANCHMSA-N 2 0 339.568 3.072 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCOCC4)[C@H]3C)c2c1 ZINC000450532685 310128546 /nfs/dbraw/zinc/12/85/46/310128546.db2.gz QRDQTLCZZYUMJD-DNVCBOLYSA-N 2 0 325.456 3.097 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000450549514 310129489 /nfs/dbraw/zinc/12/94/89/310129489.db2.gz BWHKFQDNJXRETG-SBHAEUEKSA-N 2 0 329.532 3.456 20 0 EGADRP CC(=O)c1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000450714279 310138909 /nfs/dbraw/zinc/13/89/09/310138909.db2.gz VNPYGVWUZDXPJF-UHFFFAOYSA-N 2 0 344.499 3.214 20 0 EGADRP CCC[N@H+](CC/C=C/c1ccccc1)CCN1CC[NH+](CC)CC1 ZINC000451039418 310157174 /nfs/dbraw/zinc/15/71/74/310157174.db2.gz YGZWBDRCUNAPBE-XYOKQWHBSA-N 2 0 329.532 3.439 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)CO2 ZINC000453062858 310255385 /nfs/dbraw/zinc/25/53/85/310255385.db2.gz QSUBIILVXMPNBY-SFHVURJKSA-N 2 0 332.488 3.100 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453070935 310255947 /nfs/dbraw/zinc/25/59/47/310255947.db2.gz PYKUEEGRMGKFCO-WOZUAGRISA-N 2 0 328.500 3.446 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2COc3ccc(OC)cc3C2)c1 ZINC000453117457 310259017 /nfs/dbraw/zinc/25/90/17/310259017.db2.gz ZEWAIJXAXAMRIL-LJQANCHMSA-N 2 0 340.467 3.240 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000453137055 310260219 /nfs/dbraw/zinc/26/02/19/310260219.db2.gz HSACPIFHAOSCDH-KZNAEPCWSA-N 2 0 338.499 3.154 20 0 EGADRP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453187805 310263129 /nfs/dbraw/zinc/26/31/29/310263129.db2.gz AOBFWUQSWQICDC-AQNXPRMDSA-N 2 0 328.500 3.182 20 0 EGADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453274658 310268617 /nfs/dbraw/zinc/26/86/17/310268617.db2.gz KQYAQTVZQNFHRD-PMXSJFBMSA-N 2 0 330.516 3.428 20 0 EGADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000453374549 310273500 /nfs/dbraw/zinc/27/35/00/310273500.db2.gz OZNBIYPRQCPBLX-SHQCPXRQSA-N 2 0 328.500 3.300 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000453387789 310274277 /nfs/dbraw/zinc/27/42/77/310274277.db2.gz BFRSFVPDAJCZPP-INIZCTEOSA-N 2 0 329.488 3.338 20 0 EGADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454263266 310300098 /nfs/dbraw/zinc/30/00/98/310300098.db2.gz KGNWUDMZMADUEB-IAGOWNOFSA-N 2 0 349.523 3.020 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)ccc21 ZINC000455873416 310380479 /nfs/dbraw/zinc/38/04/79/310380479.db2.gz ZTFJMWUXBOMFPV-PKOBYXMFSA-N 2 0 344.503 3.184 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455946115 310383165 /nfs/dbraw/zinc/38/31/65/310383165.db2.gz WRMJNGRRBDNSLA-DNVCBOLYSA-N 2 0 344.503 3.231 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H]1SC ZINC000459370965 310547577 /nfs/dbraw/zinc/54/75/77/310547577.db2.gz HVCFZHAZJFLELV-UYTYNIKBSA-N 2 0 328.566 3.243 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000479251485 310871439 /nfs/dbraw/zinc/87/14/39/310871439.db2.gz JNQNCKIFIUORKB-RTBURBONSA-N 2 0 335.923 3.189 20 0 EGADRP Cc1cc(N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000488754737 311078879 /nfs/dbraw/zinc/07/88/79/311078879.db2.gz VRWCBGOFYSORNZ-RHSMWYFYSA-N 2 0 347.890 3.396 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000495950416 311637550 /nfs/dbraw/zinc/63/75/50/311637550.db2.gz ODSGJTYUNOXQFM-OAGGEKHMSA-N 2 0 327.513 3.142 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496048294 311653767 /nfs/dbraw/zinc/65/37/67/311653767.db2.gz PXPXOXKGHGBHDZ-VXLLPVPCSA-N 2 0 339.524 3.237 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000501438391 311945881 /nfs/dbraw/zinc/94/58/81/311945881.db2.gz TWXSROPGDBEGQP-IAGOWNOFSA-N 2 0 334.504 3.237 20 0 EGADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505611625 312028169 /nfs/dbraw/zinc/02/81/69/312028169.db2.gz MBDBIONPGHCWJU-PKOBYXMFSA-N 2 0 345.531 3.216 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000512610536 312189928 /nfs/dbraw/zinc/18/99/28/312189928.db2.gz BYQNKVYYFAFFQG-PLACYPQZSA-N 2 0 328.500 3.303 20 0 EGADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512665913 312191516 /nfs/dbraw/zinc/19/15/16/312191516.db2.gz IAXGUWCWENBJCF-JOZSIVFUSA-N 2 0 330.516 3.284 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C(C2CC2)C2CC2)CC1 ZINC000512710136 312193212 /nfs/dbraw/zinc/19/32/12/312193212.db2.gz NOUJTKCJHIDFDU-UHFFFAOYSA-N 2 0 327.516 3.449 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)c1ccsc1 ZINC000516056733 312306466 /nfs/dbraw/zinc/30/64/66/312306466.db2.gz ZHZBHJQDYCFJKV-HOTGVXAUSA-N 2 0 339.549 3.271 20 0 EGADRP C[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000526114461 312794982 /nfs/dbraw/zinc/79/49/82/312794982.db2.gz KSZNVBWXGKZFOO-MRXNPFEDSA-N 2 0 336.907 3.488 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000527653966 312899925 /nfs/dbraw/zinc/89/99/25/312899925.db2.gz NUNUFMDCWWTXIS-NRSPTQNISA-N 2 0 329.532 3.328 20 0 EGADRP OC1CC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000528017436 313000516 /nfs/dbraw/zinc/00/05/16/313000516.db2.gz GYPKENFGGIGPBK-YCHQTSKFSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C[C@H](C)O1 ZINC000529525241 313342850 /nfs/dbraw/zinc/34/28/50/313342850.db2.gz FMFQROVEWLCSRK-IRXDYDNUSA-N 2 0 341.499 3.489 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@H](C)C[C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000530214789 313498259 /nfs/dbraw/zinc/49/82/59/313498259.db2.gz YCRAQFZNLQMOBU-ZIAGYGMSSA-N 2 0 336.476 3.018 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](CC)CC ZINC000530831200 313591133 /nfs/dbraw/zinc/59/11/33/313591133.db2.gz WUWWAESPQMBBSR-SJORKVTESA-N 2 0 339.911 3.179 20 0 EGADRP CCC[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@H](CCC)C2)CCO1 ZINC000535378526 314043947 /nfs/dbraw/zinc/04/39/47/314043947.db2.gz OFVFDGOEYTYPEF-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000536308739 314105952 /nfs/dbraw/zinc/10/59/52/314105952.db2.gz OWNLHFMVDUNMCN-AQNXPRMDSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H](c1cccc2ccccc21)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000537610515 314195991 /nfs/dbraw/zinc/19/59/91/314195991.db2.gz VWDXNAFGGPSFFN-SFHVURJKSA-N 2 0 325.500 3.470 20 0 EGADRP c1cc2c(cc1[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C1CC1)OCCO2 ZINC000538210896 314232321 /nfs/dbraw/zinc/23/23/21/314232321.db2.gz OIMIJUPXMOVXLY-NRFANRHFSA-N 2 0 342.483 3.373 20 0 EGADRP C[C@@H](CCc1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000538307967 314239156 /nfs/dbraw/zinc/23/91/56/314239156.db2.gz GBBZEUNYCJVAMT-IBGZPJMESA-N 2 0 330.516 3.300 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000539070497 314293802 /nfs/dbraw/zinc/29/38/02/314293802.db2.gz LZWXOIAIEKCCOD-LAUBAEHRSA-N 2 0 330.516 3.128 20 0 EGADRP COC[C@@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)C ZINC000539394158 314310761 /nfs/dbraw/zinc/31/07/61/314310761.db2.gz JVVQGNUBYVERIB-QZTJIDSGSA-N 2 0 332.488 3.235 20 0 EGADRP CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540175901 314367594 /nfs/dbraw/zinc/36/75/94/314367594.db2.gz KNTQUMMOLJSCHM-UYAOXDASSA-N 2 0 345.531 3.427 20 0 EGADRP c1cnc2c(c1)cccc2OCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000540359093 314376872 /nfs/dbraw/zinc/37/68/72/314376872.db2.gz PARORSKMKHGFPC-UHFFFAOYSA-N 2 0 339.483 3.468 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000543433601 314628036 /nfs/dbraw/zinc/62/80/36/314628036.db2.gz GDIAWXPSYWBSQE-HRCADAONSA-N 2 0 325.541 3.026 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000549747610 315103196 /nfs/dbraw/zinc/10/31/96/315103196.db2.gz BCMJWWUNAMIRFJ-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000549780911 315103898 /nfs/dbraw/zinc/10/38/98/315103898.db2.gz XYTGUJIEYWOLTI-DFHBCGBQSA-N 2 0 349.316 3.379 20 0 EGADRP CC(C)[C@@H]1C[NH+](C[C@H](C)C[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550188999 315119442 /nfs/dbraw/zinc/11/94/42/315119442.db2.gz PJVBVIPWDDILDF-OWZKRDHZSA-N 2 0 340.552 3.116 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000553987681 315292474 /nfs/dbraw/zinc/29/24/74/315292474.db2.gz QSTQJJODFPTMEU-IRXDYDNUSA-N 2 0 337.552 3.122 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CC[C@H]2C2CC2)[C@@H](c2ccccc2)C1 ZINC000554049425 315295331 /nfs/dbraw/zinc/29/53/31/315295331.db2.gz QYVCRNRHVVTBEN-PWRODBHTSA-N 2 0 327.516 3.143 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000555369048 315381766 /nfs/dbraw/zinc/38/17/66/315381766.db2.gz YLPKQVPAOZHGPN-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+]1CC(C)C1 ZINC000557583067 315520270 /nfs/dbraw/zinc/52/02/70/315520270.db2.gz XLGLDHWOIOMJDT-GOSISDBHSA-N 2 0 343.515 3.019 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000558419249 315566350 /nfs/dbraw/zinc/56/63/50/315566350.db2.gz LUYWSPOHHOZIMU-UHFFFAOYSA-N 2 0 337.458 3.084 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000563805991 316071845 /nfs/dbraw/zinc/07/18/45/316071845.db2.gz MYGUIZKJNDUVKB-NRFANRHFSA-N 2 0 326.484 3.065 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000564915408 316232398 /nfs/dbraw/zinc/23/23/98/316232398.db2.gz MUBILADBJKZHDR-SFHVURJKSA-N 2 0 325.456 3.413 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000565652205 316351942 /nfs/dbraw/zinc/35/19/42/316351942.db2.gz AOKZWBKISMVGIB-UGKGYDQZSA-N 2 0 340.511 3.311 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000565658112 316352495 /nfs/dbraw/zinc/35/24/95/316352495.db2.gz IQDZHBWAABMWRP-VQTJNVASSA-N 2 0 342.462 3.426 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000570714016 317097209 /nfs/dbraw/zinc/09/72/09/317097209.db2.gz FIFBMCIDQUFUEZ-UFYCRDLUSA-N 2 0 343.515 3.156 20 0 EGADRP COCC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000571325839 317183267 /nfs/dbraw/zinc/18/32/67/317183267.db2.gz VCPNMMQMIHTJEY-SLFFLAALSA-N 2 0 328.500 3.303 20 0 EGADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000573369767 317475087 /nfs/dbraw/zinc/47/50/87/317475087.db2.gz OHTXOHLBNNOPIL-GOSISDBHSA-N 2 0 325.456 3.472 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ncc(Br)cc2F)CC1 ZINC000573990974 317549580 /nfs/dbraw/zinc/54/95/80/317549580.db2.gz CSFFXXXYMHTMHC-LLVKDONJSA-N 2 0 344.272 3.366 20 0 EGADRP COc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1Br ZINC000290308783 456287464 /nfs/dbraw/zinc/28/74/64/456287464.db2.gz BZIGSZDIOKFXGP-IUODEOHRSA-N 2 0 341.293 3.230 20 0 EGADRP CCc1oc2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000171928379 323260951 /nfs/dbraw/zinc/26/09/51/323260951.db2.gz VPHABAROWPOTOT-UHFFFAOYSA-N 2 0 341.499 3.209 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)C[NH+](C)C ZINC000381695706 324247989 /nfs/dbraw/zinc/24/79/89/324247989.db2.gz FKANWCSRDRJUPI-LRDDRELGSA-N 2 0 325.294 3.094 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000382325932 324249993 /nfs/dbraw/zinc/24/99/93/324249993.db2.gz LVXXBZFXYXADKZ-DLBZAZTESA-N 2 0 339.524 3.001 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1Br ZINC000388769633 324277259 /nfs/dbraw/zinc/27/72/59/324277259.db2.gz OWRFGHAVVQOIAW-RYUDHWBXSA-N 2 0 329.282 3.306 20 0 EGADRP Cc1cnccc1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000397526158 324295223 /nfs/dbraw/zinc/29/52/23/324295223.db2.gz QILYPMNGUQNNOX-FCHUYYIVSA-N 2 0 335.495 3.386 20 0 EGADRP CCc1ncc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000414365156 324299015 /nfs/dbraw/zinc/29/90/15/324299015.db2.gz KAUPZQACDCWXDR-PKOBYXMFSA-N 2 0 338.499 3.429 20 0 EGADRP CCn1cncc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417947317 324303069 /nfs/dbraw/zinc/30/30/69/324303069.db2.gz GHDJLZLQMHLJAN-IEBWSBKVSA-N 2 0 326.488 3.293 20 0 EGADRP CC(C)C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000578130137 324923460 /nfs/dbraw/zinc/92/34/60/324923460.db2.gz UAUGXTCJWINYQT-QXAKKESOSA-N 2 0 331.504 3.010 20 0 EGADRP COc1ccccc1[C@@H](C[NH2+]Cc1cnc(C)n1C)N1CCCCC1 ZINC000579735040 325153786 /nfs/dbraw/zinc/15/37/86/325153786.db2.gz RRLIWQGOUDALDN-LJQANCHMSA-N 2 0 342.487 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000580475797 325255503 /nfs/dbraw/zinc/25/55/03/325255503.db2.gz NJCMKRNDOKICPF-SFHVURJKSA-N 2 0 332.536 3.146 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC000580712032 325287390 /nfs/dbraw/zinc/28/73/90/325287390.db2.gz OHBNKGJVGUJIHD-UHFFFAOYSA-N 2 0 333.520 3.064 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000581062528 325326163 /nfs/dbraw/zinc/32/61/63/325326163.db2.gz HJXJBZRQBIPLAH-HBGVWJBISA-N 2 0 348.506 3.362 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000582030459 325407692 /nfs/dbraw/zinc/40/76/92/325407692.db2.gz SLURNELBTAOYOU-UHFFFAOYSA-N 2 0 333.451 3.011 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(F)cc(Cl)c2)C[C@H](C)O1 ZINC000362504593 458226285 /nfs/dbraw/zinc/22/62/85/458226285.db2.gz JGQBCHYMIYLICA-KBPBESRZSA-N 2 0 328.859 3.458 20 0 EGADRP [NH3+]C1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCCC1 ZINC000237920792 455233597 /nfs/dbraw/zinc/23/35/97/455233597.db2.gz KQRAKDHHWSPMPL-QGZVFWFLSA-N 2 0 349.906 3.255 20 0 EGADRP [NH3+][C@@H](CCC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000237934067 455235660 /nfs/dbraw/zinc/23/56/60/455235660.db2.gz ZWRAINMIEMSWOS-IBGZPJMESA-N 2 0 331.504 3.239 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237967247 455238755 /nfs/dbraw/zinc/23/87/55/455238755.db2.gz TVQSJCAZEMRWBR-HOJAQTOUSA-N 2 0 341.499 3.184 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc(C2CCCCC2)s1 ZINC000566706149 458986478 /nfs/dbraw/zinc/98/64/78/458986478.db2.gz SOYNMKZTRUCRRM-UHFFFAOYSA-N 2 0 338.565 3.116 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@H]2CCCO2)CC1 ZINC000189840647 455244988 /nfs/dbraw/zinc/24/49/88/455244988.db2.gz ASYICQZYAONZSP-SJLPKXTDSA-N 2 0 349.494 3.187 20 0 EGADRP CCCCN(C)C[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496363180 459167027 /nfs/dbraw/zinc/16/70/27/459167027.db2.gz RSGIPGFFKLASEX-OAHLLOKOSA-N 2 0 327.513 3.096 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000021058405 453671500 /nfs/dbraw/zinc/67/15/00/453671500.db2.gz ZDIFNNUFZDVSTD-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1(C)C ZINC000623574686 460620323 /nfs/dbraw/zinc/62/03/23/460620323.db2.gz UNAQFITWMSHYAU-IPMKNSEASA-N 2 0 343.515 3.190 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000054408457 453928815 /nfs/dbraw/zinc/92/88/15/453928815.db2.gz KCYAQECQVRCSDA-INIZCTEOSA-N 2 0 346.519 3.380 20 0 EGADRP C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000068828896 454058294 /nfs/dbraw/zinc/05/82/94/454058294.db2.gz INTAAWCSQUTSIX-SFHVURJKSA-N 2 0 343.515 3.021 20 0 EGADRP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525133 454065059 /nfs/dbraw/zinc/06/50/59/454065059.db2.gz UVEXRUAVTCJEIO-UHFFFAOYSA-N 2 0 345.531 3.087 20 0 EGADRP C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000088699578 454117330 /nfs/dbraw/zinc/11/73/30/454117330.db2.gz WIVFCZVNKBJPKA-UTKZUKDTSA-N 2 0 346.515 3.454 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000245937651 455404438 /nfs/dbraw/zinc/40/44/38/455404438.db2.gz JJPYJONUELNYCV-IYOUNJFTSA-N 2 0 339.886 3.378 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000246057916 455419109 /nfs/dbraw/zinc/41/91/09/455419109.db2.gz YWYSMRVECLKFGF-GUDVDZBRSA-N 2 0 340.515 3.408 20 0 EGADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889488 454155249 /nfs/dbraw/zinc/15/52/49/454155249.db2.gz SUICUMBMVBIBQC-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000265981726 455419736 /nfs/dbraw/zinc/41/97/36/455419736.db2.gz BRJCWCHCILXMLG-HUUCEWRRSA-N 2 0 340.414 3.003 20 0 EGADRP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000071819572 454223784 /nfs/dbraw/zinc/22/37/84/454223784.db2.gz XARZWEGMOTVDRQ-CYBMUJFWSA-N 2 0 330.863 3.304 20 0 EGADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000095988246 454253263 /nfs/dbraw/zinc/25/32/63/454253263.db2.gz JBHIMWICCLMMMD-LVFSCSRESA-N 2 0 334.504 3.337 20 0 EGADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2NC[C@H](O)C[NH+](C)C ZINC000131490412 454258433 /nfs/dbraw/zinc/25/84/33/454258433.db2.gz KGRMTMNUUKUCTG-FUHWJXTLSA-N 2 0 334.504 3.018 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096003528 454260517 /nfs/dbraw/zinc/26/05/17/454260517.db2.gz YKDVPLKSZMDAST-WIYYLYMNSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000090079249 454274807 /nfs/dbraw/zinc/27/48/07/454274807.db2.gz UCRIMPLZMXNLGN-FKGLVLAHSA-N 2 0 331.287 3.345 20 0 EGADRP COc1ccc2cc([C@@H](C)[NH2+]CCCN3CC[NH+](C)CC3)ccc2c1 ZINC000120413044 454298563 /nfs/dbraw/zinc/29/85/63/454298563.db2.gz SMWHDBXDKFDLCI-QGZVFWFLSA-N 2 0 341.499 3.137 20 0 EGADRP Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000090520083 454314554 /nfs/dbraw/zinc/31/45/54/454314554.db2.gz XZMVPZCJTYZXNW-DYESRHJHSA-N 2 0 342.483 3.320 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522791 454316022 /nfs/dbraw/zinc/31/60/22/454316022.db2.gz IASXNDYFKXXZKO-IDCXYZFESA-N 2 0 328.500 3.277 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522635 454316399 /nfs/dbraw/zinc/31/63/99/454316399.db2.gz RQGJKJKJCRVKNJ-OIISXLGYSA-N 2 0 328.566 3.264 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000121264105 454413652 /nfs/dbraw/zinc/41/36/52/454413652.db2.gz IZVCOHQXCKYYEW-BEFAXECRSA-N 2 0 339.474 3.279 20 0 EGADRP CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073385413 454430785 /nfs/dbraw/zinc/43/07/85/454430785.db2.gz PMTNLQICACUCCO-UHFFFAOYSA-N 2 0 338.455 3.239 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121416522 454432656 /nfs/dbraw/zinc/43/26/56/454432656.db2.gz DNCOKJSXBHMPMG-DLBZAZTESA-N 2 0 344.503 3.119 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000121423839 454433692 /nfs/dbraw/zinc/43/36/92/454433692.db2.gz VEWQYDFAAFIBEO-UONOGXRCSA-N 2 0 348.878 3.488 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000133638085 454448739 /nfs/dbraw/zinc/44/87/39/454448739.db2.gz BCXTUSIMQMMGNE-NFAWXSAZSA-N 2 0 330.394 3.403 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133678937 454453979 /nfs/dbraw/zinc/45/39/79/454453979.db2.gz QTAUXPXDPKUUAF-SFHVURJKSA-N 2 0 346.563 3.037 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CCC(N)=O)C1 ZINC000092660429 454603726 /nfs/dbraw/zinc/60/37/26/454603726.db2.gz SFKODLCIZZLZBV-LJQANCHMSA-N 2 0 345.531 3.122 20 0 EGADRP CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000123197595 454614661 /nfs/dbraw/zinc/61/46/61/454614661.db2.gz KFQBOZBXTKTGSE-HUUCEWRRSA-N 2 0 329.488 3.354 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000092720627 454617080 /nfs/dbraw/zinc/61/70/80/454617080.db2.gz JMBVPKHOJPQVAE-ROUUACIJSA-N 2 0 345.531 3.280 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000092756949 454626855 /nfs/dbraw/zinc/62/68/55/454626855.db2.gz UFPVTNQKKFPITA-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CC3 ZINC000123350292 454627831 /nfs/dbraw/zinc/62/78/31/454627831.db2.gz JVXPXRMFEPSEOI-ARFHVFGLSA-N 2 0 341.499 3.496 20 0 EGADRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000123539158 454648905 /nfs/dbraw/zinc/64/89/05/454648905.db2.gz SYQBFVZNHBCYLS-OAHLLOKOSA-N 2 0 335.398 3.476 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000635004957 460647713 /nfs/dbraw/zinc/64/77/13/460647713.db2.gz RMYVOTPTWMDNAE-CJNGLKHVSA-N 2 0 331.426 3.415 20 0 EGADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(C)ccc1OC ZINC000093405502 454712197 /nfs/dbraw/zinc/71/21/97/454712197.db2.gz IOEGYSWWBMMZNC-IBGZPJMESA-N 2 0 333.520 3.072 20 0 EGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cn2c(n1)CCCC2 ZINC000152811102 454728781 /nfs/dbraw/zinc/72/87/81/454728781.db2.gz VWIPIQWJMQPAJC-LJQANCHMSA-N 2 0 325.456 3.438 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162138232 454753802 /nfs/dbraw/zinc/75/38/02/454753802.db2.gz WOLGFSLPPZEUFC-WIYYLYMNSA-N 2 0 329.532 3.279 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163078473 454821746 /nfs/dbraw/zinc/82/17/46/454821746.db2.gz RBQDVUQIMXCYNB-OXJNMPFZSA-N 2 0 334.504 3.219 20 0 EGADRP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000163206495 454830552 /nfs/dbraw/zinc/83/05/52/454830552.db2.gz YOXQITTYBDWNRA-UWJYYQICSA-N 2 0 342.483 3.320 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177168447 454831256 /nfs/dbraw/zinc/83/12/56/454831256.db2.gz OMFWWKGRNHIXMY-UHFFFAOYSA-N 2 0 341.503 3.211 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCCCC1 ZINC000125650442 454836874 /nfs/dbraw/zinc/83/68/74/454836874.db2.gz GHZPEGJFGFDSGG-SJORKVTESA-N 2 0 327.476 3.040 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCCCC1 ZINC000177284479 454846285 /nfs/dbraw/zinc/84/62/85/454846285.db2.gz HWLQKMJLZBKUIL-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP C[C@@H](c1ccccn1)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177501226 454871401 /nfs/dbraw/zinc/87/14/01/454871401.db2.gz RHDRDZUHUHXUDI-BZSNNMDCSA-N 2 0 331.504 3.354 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC1CCCC1 ZINC000165133521 454895153 /nfs/dbraw/zinc/89/51/53/454895153.db2.gz FVUCTQDELJYVGJ-YJBOKZPZSA-N 2 0 332.488 3.446 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C(C)(C)O1 ZINC000165335525 454899338 /nfs/dbraw/zinc/89/93/38/454899338.db2.gz UPLFMLRPPVKDSB-RBUKOAKNSA-N 2 0 330.516 3.487 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000166645676 454914883 /nfs/dbraw/zinc/91/48/83/454914883.db2.gz IPDOIRPJKMCILY-UTKZUKDTSA-N 2 0 328.500 3.463 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000168757390 454927639 /nfs/dbraw/zinc/92/76/39/454927639.db2.gz NODQOPQORXSORY-SJLPKXTDSA-N 2 0 331.504 3.012 20 0 EGADRP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000154795062 454929842 /nfs/dbraw/zinc/92/98/42/454929842.db2.gz MXWZVYCZBQLWAV-UHFFFAOYSA-N 2 0 330.394 3.401 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000151103698 454938225 /nfs/dbraw/zinc/93/82/25/454938225.db2.gz CDWWSPJLXJZJOO-GJZGRUSLSA-N 2 0 329.488 3.299 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC[N@@H+]1C ZINC000151162957 454946306 /nfs/dbraw/zinc/94/63/06/454946306.db2.gz NXOQWGANGUODGV-MAUKXSAKSA-N 2 0 336.907 3.461 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000127823322 455000897 /nfs/dbraw/zinc/00/08/97/455000897.db2.gz OLLTYRXSVOKLPQ-INIZCTEOSA-N 2 0 333.495 3.077 20 0 EGADRP CC[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC000151681829 455016229 /nfs/dbraw/zinc/01/62/29/455016229.db2.gz QRYSUXHPDKLJIT-OAQYLSRUSA-N 2 0 347.522 3.297 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000115628788 455024041 /nfs/dbraw/zinc/02/40/41/455024041.db2.gz DGQMQFOQEMDJIG-YLJYHZDGSA-N 2 0 344.499 3.189 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000155671120 455028974 /nfs/dbraw/zinc/02/89/74/455028974.db2.gz ZGAUGDQTOKQJIA-YLJYHZDGSA-N 2 0 329.532 3.143 20 0 EGADRP Cc1nccn1CCCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000179446256 455048654 /nfs/dbraw/zinc/04/86/54/455048654.db2.gz IVPMZWRSNSVFIQ-CMJOXMDJSA-N 2 0 333.501 3.402 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000155898793 455059381 /nfs/dbraw/zinc/05/93/81/455059381.db2.gz YVJINVHDZUEZFP-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145791 455078827 /nfs/dbraw/zinc/07/88/27/455078827.db2.gz IYHUZDPWXWEMCM-GJZGRUSLSA-N 2 0 344.459 3.080 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000623657725 460665911 /nfs/dbraw/zinc/66/59/11/460665911.db2.gz XOXZJJSOKSSCCV-QGZVFWFLSA-N 2 0 326.488 3.217 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152390095 455111878 /nfs/dbraw/zinc/11/18/78/455111878.db2.gz FHQNWQUPGSFQOR-GJZGRUSLSA-N 2 0 342.487 3.105 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000157044059 455162643 /nfs/dbraw/zinc/16/26/43/455162643.db2.gz LTTIVWBAKJBFRC-IAGOWNOFSA-N 2 0 333.520 3.150 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180441481 455171123 /nfs/dbraw/zinc/17/11/23/455171123.db2.gz RUHPBUYXGHNVOX-LVCYWYKZSA-N 2 0 329.532 3.092 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180441431 455171288 /nfs/dbraw/zinc/17/12/88/455171288.db2.gz RUHPBUYXGHNVOX-LQWHRVPQSA-N 2 0 329.532 3.092 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182824415 455172453 /nfs/dbraw/zinc/17/24/53/455172453.db2.gz JHIPWMIDWXGBIA-JXFKEZNVSA-N 2 0 333.495 3.066 20 0 EGADRP CCc1ccc(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157268815 455178149 /nfs/dbraw/zinc/17/81/49/455178149.db2.gz ZWGNFJWOWMGUHQ-LJQANCHMSA-N 2 0 329.488 3.138 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000264035401 455187331 /nfs/dbraw/zinc/18/73/31/455187331.db2.gz AMOSDFSQSPSIKM-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183440855 455292370 /nfs/dbraw/zinc/29/23/70/455292370.db2.gz TUFHYFJKTZPSSK-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC[NH+]1C ZINC000157625625 455214038 /nfs/dbraw/zinc/21/40/38/455214038.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245439322 455300578 /nfs/dbraw/zinc/30/05/78/455300578.db2.gz ZJWNCFWLHYKYQG-IXDOHACOSA-N 2 0 335.536 3.161 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245606415 455339268 /nfs/dbraw/zinc/33/92/68/455339268.db2.gz NHRYMRIKZVLFFW-BXWFABGCSA-N 2 0 340.471 3.356 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181501540 455345614 /nfs/dbraw/zinc/34/56/14/455345614.db2.gz KVJVLUSUDLDPOX-JKSUJKDBSA-N 2 0 345.487 3.118 20 0 EGADRP COc1ccc2cc([C@H](C)[NH2+]CC3CC[NH+](CCO)CC3)ccc2c1 ZINC000174084525 455357861 /nfs/dbraw/zinc/35/78/61/455357861.db2.gz FKHWNRMIRFZTTF-INIZCTEOSA-N 2 0 342.483 3.203 20 0 EGADRP CN(C(=O)C[C@@H]1C=CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245737274 455369045 /nfs/dbraw/zinc/36/90/45/455369045.db2.gz TYXHMSWRNUBONY-MISYRCLQSA-N 2 0 347.547 3.138 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(CC)CC ZINC000181774737 455381141 /nfs/dbraw/zinc/38/11/41/455381141.db2.gz WXMIRRGJIRFSMZ-QXAKKESOSA-N 2 0 338.536 3.061 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(N(C)CC)nc2)CC1 ZINC000191228860 455467409 /nfs/dbraw/zinc/46/74/09/455467409.db2.gz ZRGISTUEJGKKPJ-UHFFFAOYSA-N 2 0 332.536 3.482 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(SC(F)F)cc1 ZINC000266900038 455471606 /nfs/dbraw/zinc/47/16/06/455471606.db2.gz GFXJKJFINBLYQI-UHFFFAOYSA-N 2 0 343.487 3.071 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000191476471 455489093 /nfs/dbraw/zinc/48/90/93/455489093.db2.gz WOGHTBFHZMSRKR-QGZVFWFLSA-N 2 0 348.535 3.243 20 0 EGADRP C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246530079 455505630 /nfs/dbraw/zinc/50/56/30/455505630.db2.gz JMTRVANPRUSKAE-CEXWTWQISA-N 2 0 349.563 3.362 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000246832501 455528460 /nfs/dbraw/zinc/52/84/60/455528460.db2.gz BTIOXDBXXIVDKI-YXYSEUPNSA-N 2 0 331.548 3.258 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000246945676 455537305 /nfs/dbraw/zinc/53/73/05/455537305.db2.gz HZRCKXCTKAOASZ-YRNRMSPPSA-N 2 0 332.488 3.162 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000247070559 455554484 /nfs/dbraw/zinc/55/44/84/455554484.db2.gz MZGHOMDRIRYADB-PWIZWCRZSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000247082860 455557043 /nfs/dbraw/zinc/55/70/43/455557043.db2.gz XCAVNXLTZZSUEY-MSOLQXFVSA-N 2 0 343.515 3.019 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000247085796 455557764 /nfs/dbraw/zinc/55/77/64/455557764.db2.gz RGFXADUSJZYPMT-LAUBAEHRSA-N 2 0 340.515 3.433 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247104369 455559449 /nfs/dbraw/zinc/55/94/49/455559449.db2.gz SOBIBVVFGMZKDZ-RTBURBONSA-N 3 0 347.547 3.398 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CN1Cc1ccccc1 ZINC000247124463 455562690 /nfs/dbraw/zinc/56/26/90/455562690.db2.gz PYBMMICBIRLVPR-DABHTEOTSA-N 2 0 328.500 3.443 20 0 EGADRP Cc1noc(C2CCC([NH2+][C@H]3CCN(Cc4ccccc4)C3)CC2)n1 ZINC000267995892 455576650 /nfs/dbraw/zinc/57/66/50/455576650.db2.gz AIVZSHSVRDONQX-ACBHZAAOSA-N 2 0 340.471 3.268 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1sccc1C[NH+](C)C)c1ccco1 ZINC000268053878 455586469 /nfs/dbraw/zinc/58/64/69/455586469.db2.gz WWWOWHMYGLOSGE-OAHLLOKOSA-N 2 0 349.500 3.216 20 0 EGADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000271334719 455601776 /nfs/dbraw/zinc/60/17/76/455601776.db2.gz BLCNAYCXNHLCHQ-QGZVFWFLSA-N 2 0 339.483 3.198 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708344 455602171 /nfs/dbraw/zinc/60/21/71/455602171.db2.gz SEVKRNZLZHXBJN-NJSLBKSFSA-N 2 0 338.442 3.241 20 0 EGADRP COC(=O)C1CCC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000192439172 455616226 /nfs/dbraw/zinc/61/62/26/455616226.db2.gz GKNAQWHKZQRDHV-UHFFFAOYSA-N 2 0 332.488 3.348 20 0 EGADRP COc1ccccc1OCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185761117 455617422 /nfs/dbraw/zinc/61/74/22/455617422.db2.gz ZLKZPYWAIWBSHR-SJORKVTESA-N 2 0 332.488 3.317 20 0 EGADRP Cc1ccoc1C[N@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000292289418 455620496 /nfs/dbraw/zinc/62/04/96/455620496.db2.gz MBHANEUBMRGJIQ-MRXNPFEDSA-N 2 0 327.428 3.047 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000192516207 455634487 /nfs/dbraw/zinc/63/44/87/455634487.db2.gz XTYMLTSFNFJZKM-OAQYLSRUSA-N 2 0 339.483 3.017 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n(C)n1 ZINC000284218607 455653565 /nfs/dbraw/zinc/65/35/65/455653565.db2.gz HDLBQSKTDJZKTL-SESVDKBCSA-N 2 0 338.499 3.119 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000247981592 455665153 /nfs/dbraw/zinc/66/51/53/455665153.db2.gz MWRLAULIQMHGBW-HRQSHJORSA-N 2 0 347.547 3.396 20 0 EGADRP CC(C)CC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247993833 455667891 /nfs/dbraw/zinc/66/78/91/455667891.db2.gz JSLXWKGUQYZPAX-FXAWDEMLSA-N 2 0 345.531 3.298 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000248022547 455671164 /nfs/dbraw/zinc/67/11/64/455671164.db2.gz OCAPAWGROOCEQG-CUDHKJQZSA-N 2 0 345.531 3.150 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000271553199 455682171 /nfs/dbraw/zinc/68/21/71/455682171.db2.gz VGXORQMKGZDSJK-XUVXKRRUSA-N 2 0 332.463 3.171 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000248119498 455682552 /nfs/dbraw/zinc/68/25/52/455682552.db2.gz NEMGJQOPHGJTDC-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2)CC1 ZINC000284417729 455682873 /nfs/dbraw/zinc/68/28/73/455682873.db2.gz QYVCBOMWYPKWCG-VAMGGRTRSA-N 2 0 344.499 3.063 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(-c3cccnc3)c2)CCCO1 ZINC000277846672 455683972 /nfs/dbraw/zinc/68/39/72/455683972.db2.gz MHKRUGVHBHOHQI-GOSISDBHSA-N 2 0 339.483 3.339 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC)C23CCC3)[C@@H](C)C1 ZINC000248136839 455686925 /nfs/dbraw/zinc/68/69/25/455686925.db2.gz PDZYZJORDDQKSD-INDMIFKZSA-N 2 0 338.536 3.061 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248168617 455692199 /nfs/dbraw/zinc/69/21/99/455692199.db2.gz UGWUOKRCPXCSPL-HKUYNNGSSA-N 2 0 334.504 3.361 20 0 EGADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284506612 455697089 /nfs/dbraw/zinc/69/70/89/455697089.db2.gz YAUJTVWJRAJDLW-NQIIRXRSSA-N 2 0 346.515 3.454 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000269040374 455772682 /nfs/dbraw/zinc/77/26/82/455772682.db2.gz GKJXKQFCJGDSLP-CJNGLKHVSA-N 2 0 330.419 3.295 20 0 EGADRP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249767331 455774577 /nfs/dbraw/zinc/77/45/77/455774577.db2.gz QFBNXRVRGUJYTN-QZTJIDSGSA-N 2 0 345.531 3.311 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000278175505 455777860 /nfs/dbraw/zinc/77/78/60/455777860.db2.gz BHSPBCPKNYERBY-QGZVFWFLSA-N 3 0 345.531 3.152 20 0 EGADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249922867 455782135 /nfs/dbraw/zinc/78/21/35/455782135.db2.gz ZCVHOYCBWXYCMF-KZNAEPCWSA-N 2 0 343.515 3.160 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCO[C@@H](C)C3)CC2)c1 ZINC000271845900 455785084 /nfs/dbraw/zinc/78/50/84/455785084.db2.gz LQJAUHSFHIXWMW-PMACEKPBSA-N 2 0 345.531 3.054 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186603579 455804149 /nfs/dbraw/zinc/80/41/49/455804149.db2.gz UHWSBNMIEWIBLI-DLBZAZTESA-N 2 0 335.561 3.475 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CCCCCC[NH3+])c1cccc(OC)c1 ZINC000269245496 455819969 /nfs/dbraw/zinc/81/99/69/455819969.db2.gz UJKSXLOFHWTPOJ-LJQANCHMSA-N 2 0 349.519 3.104 20 0 EGADRP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285455733 455849054 /nfs/dbraw/zinc/84/90/54/455849054.db2.gz JLJLSGPTVDNVKV-PJEZACDQSA-N 2 0 338.495 3.300 20 0 EGADRP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000285490288 455857001 /nfs/dbraw/zinc/85/70/01/455857001.db2.gz AHBMSKPEKOERHG-UYVXCEDXSA-N 2 0 348.556 3.034 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCOCC4)[C@H]3C2)cc1 ZINC000285507983 455860891 /nfs/dbraw/zinc/86/08/91/455860891.db2.gz ALIYATOSSHTNKY-SESVDKBCSA-N 2 0 328.500 3.446 20 0 EGADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000285587175 455876202 /nfs/dbraw/zinc/87/62/02/455876202.db2.gz HQDAFBJKMNHHBP-ZAWLATJESA-N 2 0 336.426 3.481 20 0 EGADRP COCCOCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285590280 455876563 /nfs/dbraw/zinc/87/65/63/455876563.db2.gz JECNACDCHGKOGY-UHFFFAOYSA-N 2 0 334.504 3.072 20 0 EGADRP C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285665960 455891397 /nfs/dbraw/zinc/89/13/97/455891397.db2.gz NCWWXMBRZAXSEH-OAHLLOKOSA-N 2 0 345.487 3.323 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307522 455909495 /nfs/dbraw/zinc/90/94/95/455909495.db2.gz IDFXZKZSRCJZRL-CMKODMSKSA-N 2 0 345.531 3.134 20 0 EGADRP CCN(CCCNC(=O)[C@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000261603372 455911026 /nfs/dbraw/zinc/91/10/26/455911026.db2.gz CCFAEFUJNSAFDS-LJQANCHMSA-N 2 0 325.456 3.028 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000261622355 455916088 /nfs/dbraw/zinc/91/60/88/455916088.db2.gz BXKOBEVEIBWOHQ-INIZCTEOSA-N 2 0 340.471 3.265 20 0 EGADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(C)c1 ZINC000285854659 455928234 /nfs/dbraw/zinc/92/82/34/455928234.db2.gz ZGCOCGUGSWQTPW-RAFMOHDBSA-N 2 0 343.515 3.119 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000261695973 455929750 /nfs/dbraw/zinc/92/97/50/455929750.db2.gz JKXXDTHHQRTLLN-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272380766 455932786 /nfs/dbraw/zinc/93/27/86/455932786.db2.gz WHGODXSAIBMDMA-XKGZKEIXSA-N 2 0 338.499 3.298 20 0 EGADRP CC[NH+](CC)CCC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000187673075 455936553 /nfs/dbraw/zinc/93/65/53/455936553.db2.gz NBPGGZHOHNDDKT-UHFFFAOYSA-N 2 0 327.513 3.050 20 0 EGADRP c1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000261728993 455936790 /nfs/dbraw/zinc/93/67/90/455936790.db2.gz RNQZSCPWDAYBMS-MHTWAQMVSA-N 2 0 327.516 3.334 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000272423446 455945848 /nfs/dbraw/zinc/94/58/48/455945848.db2.gz DPJORWXFPMRHHY-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP Cc1nn(C)c(C)c1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272441444 455952990 /nfs/dbraw/zinc/95/29/90/455952990.db2.gz ISHQARVRKNPJFZ-DNVCBOLYSA-N 2 0 326.488 3.037 20 0 EGADRP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272441445 455953079 /nfs/dbraw/zinc/95/30/79/455953079.db2.gz ISHQARVRKNPJFZ-HNAYVOBHSA-N 2 0 326.488 3.037 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272511297 455976914 /nfs/dbraw/zinc/97/69/14/455976914.db2.gz GJHKSPZNIVITEO-PWRODBHTSA-N 3 0 341.543 3.219 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000261971472 455980304 /nfs/dbraw/zinc/98/03/04/455980304.db2.gz DJQOYMCRZMLZPX-UHFFFAOYSA-N 2 0 330.394 3.449 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000261995706 455983251 /nfs/dbraw/zinc/98/32/51/455983251.db2.gz NRTZZWJLEVIYIE-QGZVFWFLSA-N 2 0 331.504 3.260 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c(C)c1OC ZINC000286181234 455995699 /nfs/dbraw/zinc/99/56/99/455995699.db2.gz QWJNWVUCXPXUKH-GRDNDAEWSA-N 2 0 332.488 3.158 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000188118665 456001457 /nfs/dbraw/zinc/00/14/57/456001457.db2.gz MXNGXGJUTZEKOU-HIFRSBDPSA-N 2 0 337.305 3.454 20 0 EGADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC000262356479 456028017 /nfs/dbraw/zinc/02/80/17/456028017.db2.gz HYRGAEYSTOSDFR-BQFCYCMXSA-N 2 0 329.488 3.388 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000262476903 456040007 /nfs/dbraw/zinc/04/00/07/456040007.db2.gz JQJGJPFVODYHTC-MRXNPFEDSA-N 2 0 342.270 3.007 20 0 EGADRP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000280923654 456084580 /nfs/dbraw/zinc/08/45/80/456084580.db2.gz GLQUDPVAYKNCBY-QHAWAJNXSA-N 2 0 344.499 3.127 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263308776 456123967 /nfs/dbraw/zinc/12/39/67/456123967.db2.gz YGSRGQIFDDZRPS-RBAQFSTRSA-N 2 0 343.515 3.063 20 0 EGADRP CCN(Cc1c(C)n[nH]c1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271183660 456160053 /nfs/dbraw/zinc/16/00/53/456160053.db2.gz LLEXUNALKBEDBV-LJQANCHMSA-N 2 0 326.488 3.371 20 0 EGADRP CN(Cc1ccc(Oc2cnccn2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289879499 456165317 /nfs/dbraw/zinc/16/53/17/456165317.db2.gz WBNCQPWOPVLAES-JWTNVVGKSA-N 2 0 338.455 3.326 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236693206 456170065 /nfs/dbraw/zinc/17/00/65/456170065.db2.gz XLDKHGGXDBZSMS-JKSUJKDBSA-N 2 0 337.533 3.011 20 0 EGADRP CC1CCC([NH+]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000236787559 456183453 /nfs/dbraw/zinc/18/34/53/456183453.db2.gz VQFKFZNXVGJMPC-LYBXBRPPSA-N 2 0 343.515 3.190 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000236876802 456195339 /nfs/dbraw/zinc/19/53/39/456195339.db2.gz HHQDFAIFVIBWMO-YLJYHZDGSA-N 2 0 345.531 3.212 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000236876188 456196437 /nfs/dbraw/zinc/19/64/37/456196437.db2.gz AETMOGOHFKKNTA-FQEVSTJZSA-N 2 0 339.483 3.235 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000236928279 456203004 /nfs/dbraw/zinc/20/30/04/456203004.db2.gz ZEANKEHXRGDUBF-MRXNPFEDSA-N 2 0 331.504 3.493 20 0 EGADRP CCCc1cc(NCC2CC[NH+](CCO)CC2)c2ccccc2[nH+]1 ZINC000301806918 456219072 /nfs/dbraw/zinc/21/90/72/456219072.db2.gz VWMVNOUISYMPGJ-UHFFFAOYSA-N 2 0 327.472 3.304 20 0 EGADRP CC[NH2+]CC1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000237039382 456223840 /nfs/dbraw/zinc/22/38/40/456223840.db2.gz SRYZDUQUYWAFCH-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189123069 456234122 /nfs/dbraw/zinc/23/41/22/456234122.db2.gz GYTOBPMEAIREEP-TZIWHRDSSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000290083471 456236418 /nfs/dbraw/zinc/23/64/18/456236418.db2.gz JAGSOWCCUBARTN-LBPRGKRZSA-N 2 0 341.268 3.371 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC000237220474 456248392 /nfs/dbraw/zinc/24/83/92/456248392.db2.gz YKYSZTVSHMJKFO-OAHLLOKOSA-N 2 0 334.504 3.487 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635253886 460721946 /nfs/dbraw/zinc/72/19/46/460721946.db2.gz OACNRNRYNYURSK-IBGZPJMESA-N 2 0 329.488 3.484 20 0 EGADRP CC(C)n1cc([C@H](C)NCc2ccncc2OCCC[NH+](C)C)cn1 ZINC000290205384 456266020 /nfs/dbraw/zinc/26/60/20/456266020.db2.gz GYFIVCNRLSPGSH-INIZCTEOSA-N 2 0 345.491 3.040 20 0 EGADRP CC[NH+]1CCN([C@H](C)CNc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302098203 456285630 /nfs/dbraw/zinc/28/56/30/456285630.db2.gz TWJOGRVMFGBWKT-OAHLLOKOSA-N 2 0 326.488 3.290 20 0 EGADRP Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000290331611 456295550 /nfs/dbraw/zinc/29/55/50/456295550.db2.gz DUIMAFGLTZQEHH-LJQANCHMSA-N 2 0 338.499 3.251 20 0 EGADRP C[C@@H](CCNC(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCCCC1 ZINC000275729257 456299270 /nfs/dbraw/zinc/29/92/70/456299270.db2.gz XARRXXXCOSMNAE-KRWDZBQOSA-N 2 0 346.519 3.177 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347683151 456303857 /nfs/dbraw/zinc/30/38/57/456303857.db2.gz QBIMSMVCPAHNNS-OAQYLSRUSA-N 2 0 330.516 3.308 20 0 EGADRP C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297829088 456304032 /nfs/dbraw/zinc/30/40/32/456304032.db2.gz ZNELJZPOLOGQEO-PBHICJAKSA-N 2 0 331.485 3.214 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000290387920 456312941 /nfs/dbraw/zinc/31/29/41/456312941.db2.gz SCGYETIBRZKPON-FIKGOQFSSA-N 2 0 342.483 3.400 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]CCCCCOc2ccccc2)CC1 ZINC000275821258 456322719 /nfs/dbraw/zinc/32/27/19/456322719.db2.gz RAPVXGXSUWDNJN-UHFFFAOYSA-N 2 0 347.547 3.243 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(C2CC2)c1 ZINC000340234227 456330015 /nfs/dbraw/zinc/33/00/15/456330015.db2.gz HPGDTTKLGKOXGF-KRWDZBQOSA-N 2 0 329.532 3.488 20 0 EGADRP C[C@H](O)c1ncc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290471396 456337223 /nfs/dbraw/zinc/33/72/23/456337223.db2.gz UTUBDTIDGHNACI-ZOBUZTSGSA-N 2 0 345.512 3.197 20 0 EGADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744130 456344391 /nfs/dbraw/zinc/34/43/91/456344391.db2.gz RJQQORZSXRWWCV-NQIIRXRSSA-N 2 0 329.532 3.348 20 0 EGADRP CSc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000352831540 456345704 /nfs/dbraw/zinc/34/57/04/456345704.db2.gz DUHNRAZXWJOZMX-MRXNPFEDSA-N 2 0 348.537 3.326 20 0 EGADRP CCN1CCCC[C@@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939547 456354255 /nfs/dbraw/zinc/35/42/55/456354255.db2.gz YROYKDYFBLYNCV-WOJBJXKFSA-N 2 0 341.503 3.182 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000290542207 456359831 /nfs/dbraw/zinc/35/98/31/456359831.db2.gz RHGKAJJSIQFVQH-HKUYNNGSSA-N 2 0 332.488 3.148 20 0 EGADRP C[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2C2CC2)C[C@H]1c1ccccc1 ZINC000340372207 456419350 /nfs/dbraw/zinc/41/93/50/456419350.db2.gz NPBKYGWBQLRGJM-TYPHKJRUSA-N 2 0 327.516 3.428 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000303283357 456456446 /nfs/dbraw/zinc/45/64/46/456456446.db2.gz VDORKTVVIMRDON-LJQANCHMSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000348073519 456456521 /nfs/dbraw/zinc/45/65/21/456456521.db2.gz GPNMCHRQERQBEQ-UHFFFAOYSA-N 2 0 338.442 3.036 20 0 EGADRP C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000340446459 456468491 /nfs/dbraw/zinc/46/84/91/456468491.db2.gz MFGQEFHWHHHWSS-GJZGRUSLSA-N 2 0 329.444 3.139 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000276478096 456494338 /nfs/dbraw/zinc/49/43/38/456494338.db2.gz ZMHJAOIQKPPMQK-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP COc1ccc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000282392126 456498801 /nfs/dbraw/zinc/49/88/01/456498801.db2.gz RESYRCBQXWIWGM-LJQANCHMSA-N 2 0 333.520 3.008 20 0 EGADRP CN(CC[C@H]1CCC[N@@H+]1C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000348166493 456513180 /nfs/dbraw/zinc/51/31/80/456513180.db2.gz BZKJNKDLLNAVCZ-RTBURBONSA-N 2 0 330.451 3.065 20 0 EGADRP COC(C)(C)[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000340529717 456513371 /nfs/dbraw/zinc/51/33/71/456513371.db2.gz PBSFXQQATHVJRE-GOSISDBHSA-N 2 0 348.531 3.461 20 0 EGADRP C[C@@H](CC(N)=O)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000340539904 456520159 /nfs/dbraw/zinc/52/01/59/456520159.db2.gz DFAGWNRNHMQWQS-QFBILLFUSA-N 2 0 349.494 3.232 20 0 EGADRP COc1ccc2oc(C[NH2+]CC3(SC)CC[NH+](C)CC3)cc2c1 ZINC000353188454 456547933 /nfs/dbraw/zinc/54/79/33/456547933.db2.gz GYJXCSMSRDWIHV-UHFFFAOYSA-N 2 0 334.485 3.358 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000282582390 456559655 /nfs/dbraw/zinc/55/96/55/456559655.db2.gz ZTFWUQOYMBVBCY-PWIZWCRZSA-N 2 0 334.479 3.261 20 0 EGADRP COC(=O)C1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310934585 456585076 /nfs/dbraw/zinc/58/50/76/456585076.db2.gz IDSRSPQVJOXAPH-IHJVYAAUSA-N 2 0 344.499 3.218 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282771974 456620399 /nfs/dbraw/zinc/62/03/99/456620399.db2.gz WYYWGQHAALATMG-QGZVFWFLSA-N 2 0 337.939 3.278 20 0 EGADRP O=C(CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000348324270 456622694 /nfs/dbraw/zinc/62/26/94/456622694.db2.gz PFHJLPNEEJVKIP-PMACEKPBSA-N 2 0 349.478 3.079 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000338004575 456650121 /nfs/dbraw/zinc/65/01/21/456650121.db2.gz VGSGREFDPANADI-QGZVFWFLSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1F ZINC000348383377 456659020 /nfs/dbraw/zinc/65/90/20/456659020.db2.gz PDNGIDYBDYUOBC-DZGCQCFKSA-N 2 0 334.357 3.087 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000338106967 456662745 /nfs/dbraw/zinc/66/27/45/456662745.db2.gz ZFUPCMPANSJLLF-ICSRJNTNSA-N 2 0 341.499 3.028 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000324673287 456672050 /nfs/dbraw/zinc/67/20/50/456672050.db2.gz LNHBRTQWMICUNK-FQEVSTJZSA-N 2 0 329.532 3.013 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000324673290 456672409 /nfs/dbraw/zinc/67/24/09/456672409.db2.gz LNHBRTQWMICUNK-HXUWFJFHSA-N 2 0 329.532 3.013 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CCC(OCC[NH+](C)C)CC2)c1C ZINC000343530463 456686462 /nfs/dbraw/zinc/68/64/62/456686462.db2.gz NXUNEKNATDNVAC-UHFFFAOYSA-N 2 0 327.472 3.399 20 0 EGADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000326305793 456692531 /nfs/dbraw/zinc/69/25/31/456692531.db2.gz SWTWMQRUDZAMRJ-GOSISDBHSA-N 2 0 326.484 3.375 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000353457545 456701489 /nfs/dbraw/zinc/70/14/89/456701489.db2.gz HEOLELUDSXFEMX-IKGGRYGDSA-N 2 0 349.544 3.025 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000353490401 456710273 /nfs/dbraw/zinc/71/02/73/456710273.db2.gz KZFYDCKXVGKSEQ-HBFSDRIKSA-N 2 0 332.536 3.002 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC(CC[NH+](C)C)CC3)ccc(O)c2n1 ZINC000338232294 456721106 /nfs/dbraw/zinc/72/11/06/456721106.db2.gz DBTHPMGVFJHNPE-UHFFFAOYSA-N 2 0 327.472 3.413 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000343582672 456723213 /nfs/dbraw/zinc/72/32/13/456723213.db2.gz ZQEGFRZFUNEGJF-HXUWFJFHSA-N 2 0 343.515 3.277 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329132 456780647 /nfs/dbraw/zinc/78/06/47/456780647.db2.gz VLSDUUODHUVGDU-IHPCNDPISA-N 2 0 345.531 3.449 20 0 EGADRP CSC1(C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000353606960 456798818 /nfs/dbraw/zinc/79/88/18/456798818.db2.gz FSJSUZUTSBTXRV-CVEARBPZSA-N 2 0 328.566 3.243 20 0 EGADRP c1cc2c(o1)CCC[NH+](CCOCC[N@@H+]1CCCc3occc3C1)C2 ZINC000344287706 456812445 /nfs/dbraw/zinc/81/24/45/456812445.db2.gz RCCMZJHCEWTYPH-UHFFFAOYSA-N 2 0 344.455 3.086 20 0 EGADRP CN(c1ccccc1C[NH+]1CC(C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000348715783 456826184 /nfs/dbraw/zinc/82/61/84/456826184.db2.gz RAELWLNMYKGOTL-UHFFFAOYSA-N 2 0 327.516 3.449 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341513097 456871849 /nfs/dbraw/zinc/87/18/49/456871849.db2.gz UFLPFDFLDQAKRX-KDURUIRLSA-N 3 0 344.547 3.004 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000345016262 456898222 /nfs/dbraw/zinc/89/82/22/456898222.db2.gz JIAKYKYKNDUKRX-BJLQDIEVSA-N 2 0 343.515 3.121 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000349198302 456910912 /nfs/dbraw/zinc/91/09/12/456910912.db2.gz WSSSVZCNTHHGEG-SFHVURJKSA-N 2 0 342.462 3.175 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000349199063 456911861 /nfs/dbraw/zinc/91/18/61/456911861.db2.gz XVMRPSJIVCYAIH-HNNXBMFYSA-N 2 0 330.501 3.302 20 0 EGADRP C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000353885982 456950721 /nfs/dbraw/zinc/95/07/21/456950721.db2.gz UZVCCEQWCVKWMU-KXBFYZLASA-N 2 0 342.487 3.162 20 0 EGADRP CCc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000354026324 457019494 /nfs/dbraw/zinc/01/94/94/457019494.db2.gz RGKMFXXDYNPSPD-UHFFFAOYSA-N 2 0 347.547 3.470 20 0 EGADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000359080532 457050844 /nfs/dbraw/zinc/05/08/44/457050844.db2.gz QUWDPNJKIVUGAM-CTNGQTDRSA-N 2 0 342.531 3.176 20 0 EGADRP CC[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000359169470 457062195 /nfs/dbraw/zinc/06/21/95/457062195.db2.gz CFZDJJTWQLYSPB-MBOZVWFJSA-N 2 0 345.531 3.121 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000356598281 457075935 /nfs/dbraw/zinc/07/59/35/457075935.db2.gz PNFFVXJLVFDAKC-AEFFLSMTSA-N 2 0 346.519 3.010 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000342085340 457099825 /nfs/dbraw/zinc/09/98/25/457099825.db2.gz MSBOEWBUSOITRG-VBNZEHGJSA-N 2 0 328.378 3.143 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]C/C=C/c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000349904311 457101817 /nfs/dbraw/zinc/10/18/17/457101817.db2.gz JHLDZVDOVTXYNO-DOOVEFGSSA-N 2 0 338.442 3.457 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000359769671 457127944 /nfs/dbraw/zinc/12/79/44/457127944.db2.gz YVMICAXGLOJQIJ-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cn1 ZINC000359972963 457179807 /nfs/dbraw/zinc/17/98/07/457179807.db2.gz ZKHIXQSNWOPBRP-KSSFIOAISA-N 2 0 345.874 3.152 20 0 EGADRP CCCCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346842235 457182171 /nfs/dbraw/zinc/18/21/71/457182171.db2.gz HTOABXZCNXHUMD-OKZBNKHCSA-N 2 0 332.488 3.433 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000356876447 457192261 /nfs/dbraw/zinc/19/22/61/457192261.db2.gz RNCDNBONWZKWRF-MJGOQNOKSA-N 2 0 334.504 3.312 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000354390090 457194243 /nfs/dbraw/zinc/19/42/43/457194243.db2.gz PDFNZQCEOBMVGG-XLIONFOSSA-N 2 0 345.531 3.306 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000339679311 457208604 /nfs/dbraw/zinc/20/86/04/457208604.db2.gz BJGPNOZDZRNRSW-DOTOQJQBSA-N 2 0 349.544 3.037 20 0 EGADRP OCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000356901835 457208704 /nfs/dbraw/zinc/20/87/04/457208704.db2.gz PYJITEAZPIEGKJ-YWHRJQNKSA-N 2 0 328.500 3.038 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000331637812 457222546 /nfs/dbraw/zinc/22/25/46/457222546.db2.gz IDSCSQYFDSWRDE-CRAIPNDOSA-N 2 0 333.451 3.430 20 0 EGADRP CC[C@@H]1C[C@H](C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCO1 ZINC000356989060 457260835 /nfs/dbraw/zinc/26/08/35/457260835.db2.gz KVMSIRIFWUBLBK-HNBVOPMISA-N 2 0 338.536 3.013 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000347192393 457280311 /nfs/dbraw/zinc/28/03/11/457280311.db2.gz FYQVTNJHPKFOKO-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1OC(F)F ZINC000347205644 457287792 /nfs/dbraw/zinc/28/77/92/457287792.db2.gz MEWKRHQUFKGXHC-OAHLLOKOSA-N 2 0 340.414 3.261 20 0 EGADRP Clc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000357042629 457294165 /nfs/dbraw/zinc/29/41/65/457294165.db2.gz FMTAUQLTTSXZPQ-QGZVFWFLSA-N 2 0 344.890 3.347 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357055458 457301635 /nfs/dbraw/zinc/30/16/35/457301635.db2.gz RNTHAETXWOHYLS-AWEZNQCLSA-N 2 0 340.414 3.118 20 0 EGADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000351516402 457302742 /nfs/dbraw/zinc/30/27/42/457302742.db2.gz JGICNSHFZWOKHT-UHFFFAOYSA-N 2 0 328.435 3.072 20 0 EGADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357077683 457310286 /nfs/dbraw/zinc/31/02/86/457310286.db2.gz KUXWOLGUUAICSU-ZBFHGGJFSA-N 2 0 347.528 3.057 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCn2nc(C)cc2C)CC1)CC1CC1 ZINC000357082027 457312942 /nfs/dbraw/zinc/31/29/42/457312942.db2.gz IZUGTVLLSMQWFM-UHFFFAOYSA-N 2 0 332.536 3.334 20 0 EGADRP CC(C)[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354708370 457314181 /nfs/dbraw/zinc/31/41/81/457314181.db2.gz PFFIXTKICBNLQK-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354861208 457325452 /nfs/dbraw/zinc/32/54/52/457325452.db2.gz MWRZOQOTGUJLRS-RTBURBONSA-N 2 0 339.568 3.072 20 0 EGADRP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000357119609 457333241 /nfs/dbraw/zinc/33/32/41/457333241.db2.gz KAYYIPURHRJODZ-LJQANCHMSA-N 2 0 335.536 3.166 20 0 EGADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000360837967 457376022 /nfs/dbraw/zinc/37/60/22/457376022.db2.gz SORYTBVEHMTBIT-GOEBONIOSA-N 2 0 344.421 3.073 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000363656427 457401190 /nfs/dbraw/zinc/40/11/90/457401190.db2.gz LUBZUBXCUZTSMF-WOJBJXKFSA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCc2nccn21)c1ccsc1 ZINC000352486737 457407279 /nfs/dbraw/zinc/40/72/79/457407279.db2.gz VITHQDSDNBQLFZ-HZPDHXFCSA-N 2 0 346.500 3.021 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)cc1 ZINC000387631649 457432652 /nfs/dbraw/zinc/43/26/52/457432652.db2.gz FOUFJOYWEQMAKA-SFHVURJKSA-N 2 0 333.520 3.169 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000387683019 457432785 /nfs/dbraw/zinc/43/27/85/457432785.db2.gz SOJIOZXPMUHRJQ-IBGZPJMESA-N 2 0 345.531 3.313 20 0 EGADRP C[C@@H](CCSc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363754534 457443682 /nfs/dbraw/zinc/44/36/82/457443682.db2.gz VTZNBBHURMPMHP-RBUKOAKNSA-N 2 0 347.572 3.269 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347472550 457452577 /nfs/dbraw/zinc/45/25/77/457452577.db2.gz ZZPGZIYYUNXGHQ-WSTZPKSXSA-N 2 0 338.536 3.157 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000360945104 457453202 /nfs/dbraw/zinc/45/32/02/457453202.db2.gz CYBDYVHJWFEOIW-QGZVFWFLSA-N 2 0 342.487 3.100 20 0 EGADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C[C@H]1Oc1ccccc1 ZINC000342696338 457460915 /nfs/dbraw/zinc/46/09/15/457460915.db2.gz CXQQGEBCJXPORJ-DFQSSKMNSA-N 2 0 346.515 3.059 20 0 EGADRP CC[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000425232699 457467068 /nfs/dbraw/zinc/46/70/68/457467068.db2.gz FPICVQIGZVAZJE-YLJYHZDGSA-N 2 0 345.531 3.086 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347501368 457469739 /nfs/dbraw/zinc/46/97/39/457469739.db2.gz HTOVPWZDUVRFGH-KRWDZBQOSA-N 2 0 349.478 3.026 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC(F)F ZINC000397287894 457485593 /nfs/dbraw/zinc/48/55/93/457485593.db2.gz VKYXCQFGGCRDRD-NFAWXSAZSA-N 2 0 342.430 3.492 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000347537743 457493824 /nfs/dbraw/zinc/49/38/24/457493824.db2.gz RIAPRUZMULWRNA-HNNXBMFYSA-N 2 0 337.467 3.149 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342758515 457504052 /nfs/dbraw/zinc/50/40/52/457504052.db2.gz UICISIKMECLSTE-FUHIMQAGSA-N 2 0 343.515 3.065 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173576 457508298 /nfs/dbraw/zinc/50/82/98/457508298.db2.gz HQBOMDXKUIQBGX-UHFFFAOYSA-N 2 0 349.906 3.395 20 0 EGADRP CC[N@H+](CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000352688247 457532954 /nfs/dbraw/zinc/53/29/54/457532954.db2.gz WAFYPBCUASJJPK-IEBWSBKVSA-N 2 0 348.535 3.016 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC(F)F ZINC000404419132 457544260 /nfs/dbraw/zinc/54/42/60/457544260.db2.gz HRFPIOYKTUXWSK-TZMCWYRMSA-N 2 0 328.403 3.246 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000361075300 457565690 /nfs/dbraw/zinc/56/56/90/457565690.db2.gz GMFWPLLPMVVKRG-OAQYLSRUSA-N 2 0 329.532 3.317 20 0 EGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352739630 457573368 /nfs/dbraw/zinc/57/33/68/457573368.db2.gz PNJKPDQNBLIWQI-INIZCTEOSA-N 2 0 325.456 3.224 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000357620838 457627934 /nfs/dbraw/zinc/62/79/34/457627934.db2.gz WPOGTNXDFPCUJU-KRWDZBQOSA-N 2 0 348.535 3.056 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(-c2ccncc2)cc1 ZINC000361175275 457630392 /nfs/dbraw/zinc/63/03/92/457630392.db2.gz NIKTXPZKYHGFDR-QGZVFWFLSA-N 2 0 339.483 3.104 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000425933507 457654677 /nfs/dbraw/zinc/65/46/77/457654677.db2.gz VADDSXNEKPVBII-JXFKEZNVSA-N 2 0 327.472 3.161 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000425943289 457657007 /nfs/dbraw/zinc/65/70/07/457657007.db2.gz QETMKARUZOFBKR-JKSUJKDBSA-N 2 0 334.508 3.409 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)c1 ZINC000370633864 457687287 /nfs/dbraw/zinc/68/72/87/457687287.db2.gz IZMIVYDOROVDOT-RBBKRZOGSA-N 2 0 341.543 3.074 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370632665 457687413 /nfs/dbraw/zinc/68/74/13/457687413.db2.gz CUWRSIBSQWXITP-IRLDBZIGSA-N 2 0 343.559 3.402 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000357784917 457688154 /nfs/dbraw/zinc/68/81/54/457688154.db2.gz AOEKUMVNKFQYOF-UZLBHIALSA-N 2 0 329.488 3.389 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370670589 457695923 /nfs/dbraw/zinc/69/59/23/457695923.db2.gz FDXJUYUYLSBZDX-JQHSSLGASA-N 2 0 329.488 3.183 20 0 EGADRP Fc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c(F)c1 ZINC000370670446 457696001 /nfs/dbraw/zinc/69/60/01/457696001.db2.gz BRICGTJVKLDZKC-IAGOWNOFSA-N 2 0 335.442 3.150 20 0 EGADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000357844596 457709467 /nfs/dbraw/zinc/70/94/67/457709467.db2.gz GDMYVCQRIJSPSF-CABCVRRESA-N 2 0 343.393 3.086 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000357882365 457722016 /nfs/dbraw/zinc/72/20/16/457722016.db2.gz XLKVBQJERFROGI-FXAWDEMLSA-N 2 0 345.531 3.223 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358027190 457744229 /nfs/dbraw/zinc/74/42/29/457744229.db2.gz WMMGEATUPWMXSO-OPYAIIAOSA-N 2 0 348.531 3.447 20 0 EGADRP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000433154455 457765800 /nfs/dbraw/zinc/76/58/00/457765800.db2.gz UECYXLVWOMEVLU-FUHIMQAGSA-N 2 0 345.531 3.012 20 0 EGADRP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605266 457786226 /nfs/dbraw/zinc/78/62/26/457786226.db2.gz NGQIKZLBKNGXJO-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP COC(=O)CC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411198250 457827120 /nfs/dbraw/zinc/82/71/20/457827120.db2.gz YVCXLSXPHKVJIL-UHFFFAOYSA-N 2 0 344.499 3.448 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000358164661 457827637 /nfs/dbraw/zinc/82/76/37/457827637.db2.gz IHJWSMWHHIJHHW-ZIAGYGMSSA-N 2 0 336.430 3.294 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000375235394 457842472 /nfs/dbraw/zinc/84/24/72/457842472.db2.gz AUSPUJVMGCVCCM-LJQANCHMSA-N 2 0 329.532 3.406 20 0 EGADRP CNC(=O)CC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411309541 457856067 /nfs/dbraw/zinc/85/60/67/457856067.db2.gz RRNXFECORZABAP-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP CC(C)CCn1cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371332409 457872003 /nfs/dbraw/zinc/87/20/03/457872003.db2.gz PEFGODUYQSFRJM-NRFANRHFSA-N 2 0 346.563 3.135 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000358267979 457899954 /nfs/dbraw/zinc/89/99/54/457899954.db2.gz QZXFZMIXVVSTDX-ZWKOTPCHSA-N 2 0 343.515 3.133 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000411620224 457930627 /nfs/dbraw/zinc/93/06/27/457930627.db2.gz LXUXDAWSOXXIME-PXNSSMCTSA-N 2 0 344.499 3.304 20 0 EGADRP OCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCSC1 ZINC000411662176 457944560 /nfs/dbraw/zinc/94/45/60/457944560.db2.gz FJCLDZFWHCFDSD-HXUWFJFHSA-N 2 0 348.556 3.362 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1)C1CC1 ZINC000458171376 457953203 /nfs/dbraw/zinc/95/32/03/457953203.db2.gz PUAUWVHTMXPIIF-KRWDZBQOSA-N 2 0 343.515 3.133 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)[C@H]1c1cccs1 ZINC000427265277 457968626 /nfs/dbraw/zinc/96/86/26/457968626.db2.gz MQJAHEGJYYQOCX-FCEWJHQRSA-N 2 0 349.544 3.027 20 0 EGADRP COC[C@]1(C)CC[NH+](CCC(C)CC[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000411773452 457975771 /nfs/dbraw/zinc/97/57/71/457975771.db2.gz LWNJMBFJYFCNNO-WOJBJXKFSA-N 2 0 340.552 3.120 20 0 EGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC000358407302 457983912 /nfs/dbraw/zinc/98/39/12/457983912.db2.gz UAYNCFPRGNZBGM-QFBILLFUSA-N 2 0 330.520 3.435 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+]1CCCCCC1 ZINC000371554685 457985825 /nfs/dbraw/zinc/98/58/25/457985825.db2.gz SOXKZFWTSITJLM-HNNXBMFYSA-N 2 0 327.472 3.368 20 0 EGADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000358445237 458007821 /nfs/dbraw/zinc/00/78/21/458007821.db2.gz GVNUCFPKQFHYJO-GFCCVEGCSA-N 2 0 344.286 3.206 20 0 EGADRP FC(F)(F)Oc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358495853 458039274 /nfs/dbraw/zinc/03/92/74/458039274.db2.gz HYPKOQFWAHQSHE-UHFFFAOYSA-N 2 0 344.377 3.040 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)ccc1F ZINC000358498597 458040676 /nfs/dbraw/zinc/04/06/76/458040676.db2.gz CWTVTDMCSAXPOJ-CQSZACIVSA-N 2 0 344.434 3.321 20 0 EGADRP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358514881 458051423 /nfs/dbraw/zinc/05/14/23/458051423.db2.gz YBIAXVMMXMMCAL-OAHLLOKOSA-N 2 0 326.444 3.182 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412131664 458103203 /nfs/dbraw/zinc/10/32/03/458103203.db2.gz PBERFQWJNAFWGM-XLIONFOSSA-N 2 0 343.515 3.085 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000435369794 458123135 /nfs/dbraw/zinc/12/31/35/458123135.db2.gz GQNDDOSCWSGUEH-UHFFFAOYSA-N 2 0 347.466 3.105 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435370305 458123366 /nfs/dbraw/zinc/12/33/66/458123366.db2.gz ICFQFXKJZXLZML-FUHWJXTLSA-N 2 0 340.515 3.398 20 0 EGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000435373057 458124036 /nfs/dbraw/zinc/12/40/36/458124036.db2.gz LQIMJMPIDUSTSG-WMZOPIPTSA-N 2 0 340.515 3.398 20 0 EGADRP CC[C@@H]1C[C@@H](C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435427288 458145093 /nfs/dbraw/zinc/14/50/93/458145093.db2.gz MEUBDFVIAGLYAG-BBWFWOEESA-N 2 0 349.544 3.292 20 0 EGADRP C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065977 458181403 /nfs/dbraw/zinc/18/14/03/458181403.db2.gz UVPXFTXQPBQDPU-DUVNUKRYSA-N 2 0 344.377 3.099 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(C[NH2+]CC3CC3)n2)c1 ZINC000435724911 458190920 /nfs/dbraw/zinc/19/09/20/458190920.db2.gz DRXZGVUWQHKFIR-UHFFFAOYSA-N 2 0 326.444 3.222 20 0 EGADRP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000372095507 458192213 /nfs/dbraw/zinc/19/22/13/458192213.db2.gz OSDBYDXNGWQXNZ-FCHUYYIVSA-N 2 0 342.527 3.488 20 0 EGADRP Cc1ncsc1CN(CCOc1cccc(C)c1)C[C@H]1CC[NH2+]C1 ZINC000435738066 458193026 /nfs/dbraw/zinc/19/30/26/458193026.db2.gz OIXUEWOOTRGSIL-KRWDZBQOSA-N 2 0 345.512 3.250 20 0 EGADRP C[NH2+]CCCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000435869921 458216516 /nfs/dbraw/zinc/21/65/16/458216516.db2.gz DDKKLAHAFKBZCM-CQSZACIVSA-N 2 0 330.259 3.006 20 0 EGADRP COC1(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428872893 458226141 /nfs/dbraw/zinc/22/61/41/458226141.db2.gz SZJPKGYUAHMMNF-AZUAARDMSA-N 2 0 346.515 3.072 20 0 EGADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885929 458242310 /nfs/dbraw/zinc/24/23/10/458242310.db2.gz BXDSENUWEWISCB-OAQYLSRUSA-N 2 0 344.499 3.208 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CC2)c1 ZINC000429045729 458265760 /nfs/dbraw/zinc/26/57/60/458265760.db2.gz WFRVZURMGCZJDR-HXUWFJFHSA-N 2 0 344.499 3.020 20 0 EGADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447599582 458318714 /nfs/dbraw/zinc/31/87/14/458318714.db2.gz KNCFGYMNAKBNLY-OAHLLOKOSA-N 2 0 347.528 3.271 20 0 EGADRP CC[C@H](CNC1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000459389184 458355732 /nfs/dbraw/zinc/35/57/32/458355732.db2.gz MOXICVAFVXOKTP-HXUWFJFHSA-N 2 0 327.516 3.040 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)CC1 ZINC000459391847 458356907 /nfs/dbraw/zinc/35/69/07/458356907.db2.gz RWPVUGRTBXHXGF-UHFFFAOYSA-N 2 0 335.923 3.031 20 0 EGADRP Cc1cc(F)c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000459408232 458360809 /nfs/dbraw/zinc/36/08/09/458360809.db2.gz ISFIFYAMWHKLOT-AWEZNQCLSA-N 2 0 328.859 3.114 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459528064 458401315 /nfs/dbraw/zinc/40/13/15/458401315.db2.gz QWHMCEIQFBDCRW-IBGZPJMESA-N 2 0 328.500 3.425 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000423442609 458433915 /nfs/dbraw/zinc/43/39/15/458433915.db2.gz ZHRPHNYBISDYSI-IAGOWNOFSA-N 2 0 339.483 3.347 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423455941 458435324 /nfs/dbraw/zinc/43/53/24/458435324.db2.gz GFQLKPLBAIYCNN-VIJBBTGJSA-N 2 0 349.316 3.412 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H]2CCC[C@@H]21 ZINC000423452541 458435412 /nfs/dbraw/zinc/43/54/12/458435412.db2.gz ZAEGOCCDUWRHTD-OWLYRPNTSA-N 2 0 329.488 3.333 20 0 EGADRP CC[C@@H]([NH3+])C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423464447 458436517 /nfs/dbraw/zinc/43/65/17/458436517.db2.gz MAMNKMFAWHSQJJ-HZPDHXFCSA-N 2 0 341.293 3.244 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423462266 458436745 /nfs/dbraw/zinc/43/67/45/458436745.db2.gz DIRVSVJBADNQDA-KBRIMQKVSA-N 2 0 332.879 3.270 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423537291 458455035 /nfs/dbraw/zinc/45/50/35/458455035.db2.gz JPHLJYXDKMQBDL-UHFFFAOYSA-N 3 0 327.516 3.329 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)C3)cc1 ZINC000377077287 458456140 /nfs/dbraw/zinc/45/61/40/458456140.db2.gz KEBQJGCZIHNARG-FDKIHUSFSA-N 2 0 326.484 3.339 20 0 EGADRP NC1(C[NH2+][C@@H]2CCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423554448 458456854 /nfs/dbraw/zinc/45/68/54/458456854.db2.gz HHLLFSVWAIGAHZ-OAQYLSRUSA-N 2 0 335.495 3.257 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(OC(F)F)c1 ZINC000459723116 458457320 /nfs/dbraw/zinc/45/73/20/458457320.db2.gz CPCBZVBHPUDEBE-CYBMUJFWSA-N 2 0 328.403 3.118 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000430548312 458459961 /nfs/dbraw/zinc/45/99/61/458459961.db2.gz GVXNJTMEGDDCLV-MRXNPFEDSA-N 2 0 331.504 3.459 20 0 EGADRP c1c(CN2CCC[NH2+]CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000430612280 458471619 /nfs/dbraw/zinc/47/16/19/458471619.db2.gz RJTUVHGDRAJSEA-UHFFFAOYSA-N 2 0 332.451 3.335 20 0 EGADRP CC(C)c1ccc([C@H](NC(=O)CN2CCC[C@H](C[NH3+])C2)C(C)C)cc1 ZINC000430621682 458472248 /nfs/dbraw/zinc/47/22/48/458472248.db2.gz DWDHRSDGWPIJBX-DYESRHJHSA-N 2 0 345.531 3.294 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616810 458472275 /nfs/dbraw/zinc/47/22/75/458472275.db2.gz HZIRCWHZFIVESH-QFBILLFUSA-N 2 0 329.488 3.014 20 0 EGADRP C[N@H+](Cc1cc(Br)cc2cccnc21)C1CC[NH2+]CC1 ZINC000430629168 458473286 /nfs/dbraw/zinc/47/32/86/458473286.db2.gz OGJXYDPZPCWFRF-UHFFFAOYSA-N 2 0 334.261 3.181 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423736025 458477412 /nfs/dbraw/zinc/47/74/12/458477412.db2.gz XZLQBQQDOBEVRJ-UKBAYJJMSA-N 2 0 335.536 3.148 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000459794421 458481449 /nfs/dbraw/zinc/48/14/49/458481449.db2.gz USLYSHWBPVCIJU-HNNXBMFYSA-N 2 0 337.458 3.255 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423783108 458482253 /nfs/dbraw/zinc/48/22/53/458482253.db2.gz ZXVCTYVUDAEUHW-AZUAARDMSA-N 2 0 329.488 3.171 20 0 EGADRP Cc1cc(-c2noc([C@H](C)[NH+]3CCC([C@H](C)[NH3+])CC3)n2)ccc1F ZINC000430918084 458504570 /nfs/dbraw/zinc/50/45/70/458504570.db2.gz LRUMXCUSMXKMBO-STQMWFEESA-N 2 0 332.423 3.304 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC([C@H](C)[NH3+])CC3)n2)ccc1F ZINC000430918083 458505376 /nfs/dbraw/zinc/50/53/76/458505376.db2.gz LRUMXCUSMXKMBO-QWHCGFSZSA-N 2 0 332.423 3.304 20 0 EGADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC(C)(C)C3CCCCC3)C2)CC1 ZINC000373508246 458513246 /nfs/dbraw/zinc/51/32/46/458513246.db2.gz KGDKDJZXWAHGSR-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 ZINC000423930094 458514168 /nfs/dbraw/zinc/51/41/68/458514168.db2.gz JRUWQDUNZHNUPV-IBGZPJMESA-N 2 0 328.460 3.067 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021082 458517713 /nfs/dbraw/zinc/51/77/13/458517713.db2.gz ALGZOASVKAXPNO-AWEZNQCLSA-N 2 0 335.879 3.051 20 0 EGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000373545089 458527583 /nfs/dbraw/zinc/52/75/83/458527583.db2.gz DXAAUAOWNXMOHH-SFHVURJKSA-N 2 0 344.528 3.361 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092621 458530025 /nfs/dbraw/zinc/53/00/25/458530025.db2.gz ACVCXZBWGSLZEL-MRXNPFEDSA-N 2 0 333.451 3.240 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000438095539 458532490 /nfs/dbraw/zinc/53/24/90/458532490.db2.gz HEYJAHJOIOQOPV-HXUWFJFHSA-N 2 0 341.499 3.476 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CC[C@H]2CCOC2)CC3)cc1 ZINC000438120732 458536758 /nfs/dbraw/zinc/53/67/58/458536758.db2.gz XASONDDJHOWWRT-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438210356 458548631 /nfs/dbraw/zinc/54/86/31/458548631.db2.gz UVRSUUJZHCTAQG-NJYVYQBISA-N 2 0 330.516 3.179 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000493782062 458565805 /nfs/dbraw/zinc/56/58/05/458565805.db2.gz SNQHDWUWYDNFIS-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1)CC1CCCCC1 ZINC000424151126 458571706 /nfs/dbraw/zinc/57/17/06/458571706.db2.gz HAKXMXWLJNDWAZ-OALUTQOASA-N 2 0 335.536 3.151 20 0 EGADRP Cn1c2cc(F)ccc2nc1N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000431431873 458572083 /nfs/dbraw/zinc/57/20/83/458572083.db2.gz PPPBTPVZLCKKFN-KRWDZBQOSA-N 2 0 338.430 3.076 20 0 EGADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)ccc1F ZINC000493818524 458577703 /nfs/dbraw/zinc/57/77/03/458577703.db2.gz LWMAYCXBTUBDTQ-GOSISDBHSA-N 2 0 328.431 3.371 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1cccs1 ZINC000431569835 458590262 /nfs/dbraw/zinc/59/02/62/458590262.db2.gz HRBVIDLABQTWTE-IAGOWNOFSA-N 2 0 349.544 3.264 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3ccccc3n1C(F)F)CC[NH2+]CC2 ZINC000424297592 458608020 /nfs/dbraw/zinc/60/80/20/458608020.db2.gz TUBUXWWDVKSWLO-ZDUSSCGKSA-N 2 0 334.414 3.395 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC000470135176 458614742 /nfs/dbraw/zinc/61/47/42/458614742.db2.gz SJABRZVQTYPKKX-WMZOPIPTSA-N 2 0 332.488 3.028 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424318185 458614826 /nfs/dbraw/zinc/61/48/26/458614826.db2.gz FUOHODDXFUQMCO-MWDXBVQZSA-N 2 0 326.525 3.309 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000424326234 458616005 /nfs/dbraw/zinc/61/60/05/458616005.db2.gz YDTSFGNKWGOHHW-HUUCEWRRSA-N 2 0 340.895 3.236 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000424326242 458616065 /nfs/dbraw/zinc/61/60/65/458616065.db2.gz YDTSFGNKWGOHHW-LSDHHAIUSA-N 2 0 340.895 3.236 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431790816 458624696 /nfs/dbraw/zinc/62/46/96/458624696.db2.gz IXRDMNMKYBILFL-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424370461 458627306 /nfs/dbraw/zinc/62/73/06/458627306.db2.gz CKBJTAVVQKHOFD-HNNXBMFYSA-N 2 0 342.462 3.284 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000424443397 458645254 /nfs/dbraw/zinc/64/52/54/458645254.db2.gz KECYLSKEJAGTJQ-UHFFFAOYSA-N 2 0 332.492 3.230 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470773393 458649286 /nfs/dbraw/zinc/64/92/86/458649286.db2.gz NVRJVQUCIKDERH-KNQAVFIVSA-N 2 0 340.511 3.407 20 0 EGADRP CC(C)c1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462787559 458654180 /nfs/dbraw/zinc/65/41/80/458654180.db2.gz LHYPFRQTOJNPBV-INIZCTEOSA-N 2 0 333.524 3.012 20 0 EGADRP CO[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000462816059 458657001 /nfs/dbraw/zinc/65/70/01/458657001.db2.gz FPKHRBAIICRYGI-GFOJFJKKSA-N 2 0 328.500 3.302 20 0 EGADRP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463146204 458678110 /nfs/dbraw/zinc/67/81/10/458678110.db2.gz NAFZZWXPPYTTNF-WOJBJXKFSA-N 2 0 343.559 3.404 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000456528498 458704019 /nfs/dbraw/zinc/70/40/19/458704019.db2.gz KRENSWDYCHJGFE-GOSISDBHSA-N 2 0 345.531 3.473 20 0 EGADRP CC[C@@H]1C[NH+](CCCCC[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439476687 458712245 /nfs/dbraw/zinc/71/22/45/458712245.db2.gz ZRLDDZOQURWXTO-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP C[C@H]([C@@H]1CCC[NH2+]C1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530210303 458716332 /nfs/dbraw/zinc/71/63/32/458716332.db2.gz JFCOONBPCXBEKU-CRAIPNDOSA-N 2 0 346.519 3.370 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000503925768 458729874 /nfs/dbraw/zinc/72/98/74/458729874.db2.gz DPUNWNDYHMXOHU-KBRIMQKVSA-N 2 0 342.430 3.438 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547736443 458782418 /nfs/dbraw/zinc/78/24/18/458782418.db2.gz TTXPKCUMLPMGQG-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000495088742 458797895 /nfs/dbraw/zinc/79/78/95/458797895.db2.gz MRHUYWCRESHKRT-SOUVJXGZSA-N 2 0 337.870 3.274 20 0 EGADRP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000472588765 458803321 /nfs/dbraw/zinc/80/33/21/458803321.db2.gz GGXHPSGWKZVQTK-OAHLLOKOSA-N 2 0 340.870 3.066 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473317899 458825107 /nfs/dbraw/zinc/82/51/07/458825107.db2.gz USGLMWAKGGPGNJ-WOJBJXKFSA-N 2 0 345.531 3.324 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000473553206 458834781 /nfs/dbraw/zinc/83/47/81/458834781.db2.gz QEZLVMGJQDZFQY-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474035943 458856105 /nfs/dbraw/zinc/85/61/05/458856105.db2.gz OMKRMZFVQKLBAT-OXQOHEQNSA-N 2 0 345.531 3.033 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000519394356 458943599 /nfs/dbraw/zinc/94/35/99/458943599.db2.gz GAUHMKXXGDKQDR-IRXDYDNUSA-N 2 0 331.504 3.154 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000576935879 458949130 /nfs/dbraw/zinc/94/91/30/458949130.db2.gz GESHTMXQOAYKQV-INIZCTEOSA-N 2 0 335.467 3.399 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000576944141 458952016 /nfs/dbraw/zinc/95/20/16/458952016.db2.gz VBDFJXHSGIFPIB-UZLBHIALSA-N 2 0 347.572 3.259 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457501239 458980427 /nfs/dbraw/zinc/98/04/27/458980427.db2.gz PELBTYFFWSUGPF-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000495863817 458982394 /nfs/dbraw/zinc/98/23/94/458982394.db2.gz FTDFXIUFUMHRRP-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000556665208 458983805 /nfs/dbraw/zinc/98/38/05/458983805.db2.gz BQKONQLRNVIALG-HNAYVOBHSA-N 2 0 344.503 3.087 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000519698470 458989073 /nfs/dbraw/zinc/98/90/73/458989073.db2.gz YWLKUOIIIMXRGX-VQTJNVASSA-N 2 0 348.531 3.287 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCN2CCOC2=O)CC1 ZINC000495908051 459000422 /nfs/dbraw/zinc/00/04/22/459000422.db2.gz AQMDTZQUXPGUQV-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2C)[C@H](C)C1 ZINC000531953949 459006438 /nfs/dbraw/zinc/00/64/38/459006438.db2.gz KZFNFYRSWSFJCW-WOJBJXKFSA-N 2 0 348.531 3.409 20 0 EGADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531970977 459009098 /nfs/dbraw/zinc/00/90/98/459009098.db2.gz AZTMILPHJOAFPV-AQNXPRMDSA-N 2 0 343.515 3.052 20 0 EGADRP CN(C[C@H](O)C[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1)C1CC1 ZINC000519846572 459014793 /nfs/dbraw/zinc/01/47/93/459014793.db2.gz CLJDSZKJWYPNLG-KUIZBPSLSA-N 2 0 328.500 3.400 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000519865734 459018491 /nfs/dbraw/zinc/01/84/91/459018491.db2.gz XQTVDZRVBRAEJE-GOSISDBHSA-N 2 0 335.923 3.249 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1cccc2ccccc21 ZINC000442757554 459031430 /nfs/dbraw/zinc/03/14/30/459031430.db2.gz MJRNPOJKLBAXEP-QAETUUGQSA-N 2 0 339.483 3.075 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442763344 459032506 /nfs/dbraw/zinc/03/25/06/459032506.db2.gz GJHDDRWVHFLTMO-PBWFPOADSA-N 2 0 339.842 3.023 20 0 EGADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000556916226 459033215 /nfs/dbraw/zinc/03/32/15/459033215.db2.gz QIIPHKJDKLYCBO-JOCHJYFZSA-N 2 0 343.559 3.485 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000442875966 459049636 /nfs/dbraw/zinc/04/96/36/459049636.db2.gz QAMFOMRUSCZZPJ-VQTJNVASSA-N 2 0 329.532 3.487 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000532227186 459051311 /nfs/dbraw/zinc/05/13/11/459051311.db2.gz BMYRGVGHJKILTB-WOJBJXKFSA-N 2 0 336.495 3.075 20 0 EGADRP CCOc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1OC(F)F ZINC000442916687 459059431 /nfs/dbraw/zinc/05/94/31/459059431.db2.gz ACZSNYSRKVRUND-CYBMUJFWSA-N 2 0 328.403 3.248 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442926002 459062034 /nfs/dbraw/zinc/06/20/34/459062034.db2.gz XCJCKNOBVLRYNA-GFCCVEGCSA-N 2 0 340.393 3.153 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477919215 459066048 /nfs/dbraw/zinc/06/60/48/459066048.db2.gz RONHJAZHBZSXSZ-OAHLLOKOSA-N 2 0 335.467 3.254 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@@H]3CCC[NH2+]3)ccc21 ZINC000567265438 459076806 /nfs/dbraw/zinc/07/68/06/459076806.db2.gz SWVPRJGHDPGEEG-KRWDZBQOSA-N 2 0 342.487 3.064 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1F ZINC000577705263 459078233 /nfs/dbraw/zinc/07/82/33/459078233.db2.gz YCKVZXHBXNIAMI-UHFFFAOYSA-N 2 0 336.414 3.493 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000577739775 459085967 /nfs/dbraw/zinc/08/59/67/459085967.db2.gz MAVUENPOMRHODB-UHFFFAOYSA-N 2 0 339.886 3.033 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)o1 ZINC000590236915 459104108 /nfs/dbraw/zinc/10/41/08/459104108.db2.gz IVORQRHXVFYDJX-UHFFFAOYSA-N 2 0 343.471 3.478 20 0 EGADRP COC(C)(C)C[NH+](C)Cc1ccc(C[N@@H+](C)CC(C)(C)OC)cc1 ZINC000532641801 459122409 /nfs/dbraw/zinc/12/24/09/459122409.db2.gz BLOZJEYILREYJM-UHFFFAOYSA-N 2 0 336.520 3.400 20 0 EGADRP CC[C@@H](c1ccccc1OC)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000558181464 459137000 /nfs/dbraw/zinc/13/70/00/459137000.db2.gz JJMWPRCTXQFNII-FQEVSTJZSA-N 2 0 347.547 3.494 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c1 ZINC000578126644 459149825 /nfs/dbraw/zinc/14/98/25/459149825.db2.gz MTYASSCCLCJFJM-OXJNMPFZSA-N 2 0 337.467 3.189 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000496374370 459169688 /nfs/dbraw/zinc/16/96/88/459169688.db2.gz CTEWXBYWVAEWPD-KLAILNCOSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000567870701 459181820 /nfs/dbraw/zinc/18/18/20/459181820.db2.gz JMMRAYFRSUMRCO-WDEREUQCSA-N 2 0 337.265 3.055 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc(C)c1O ZINC000578368464 459190208 /nfs/dbraw/zinc/19/02/08/459190208.db2.gz RHFWDCTYGIKVRV-ROUUACIJSA-N 2 0 346.515 3.330 20 0 EGADRP COc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000480312596 459192856 /nfs/dbraw/zinc/19/28/56/459192856.db2.gz ZKFZXRLOWLKKEU-IEBWSBKVSA-N 2 0 339.483 3.481 20 0 EGADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC000590787211 459218865 /nfs/dbraw/zinc/21/88/65/459218865.db2.gz VCXJLJBKCNXCKV-KRWDZBQOSA-N 2 0 325.541 3.073 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480906222 459223662 /nfs/dbraw/zinc/22/36/62/459223662.db2.gz XRDGBWARDGBGHB-RBUKOAKNSA-N 3 0 347.547 3.400 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000590819037 459232596 /nfs/dbraw/zinc/23/25/96/459232596.db2.gz VAJZRCGGNTWPMV-UHFFFAOYSA-N 2 0 343.515 3.018 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000595100847 459245474 /nfs/dbraw/zinc/24/54/74/459245474.db2.gz BBZVHYYMZJCQRN-CMJOXMDJSA-N 2 0 334.529 3.197 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@]1(C)CCCO1 ZINC000559787333 459276925 /nfs/dbraw/zinc/27/69/25/459276925.db2.gz NJDCNIRMAZADSJ-GHTZIAJQSA-N 2 0 346.515 3.251 20 0 EGADRP CCCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482546202 459313910 /nfs/dbraw/zinc/31/39/10/459313910.db2.gz DCDXDXQPRUJRHY-YLJYHZDGSA-N 2 0 345.531 3.267 20 0 EGADRP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000560268641 459317245 /nfs/dbraw/zinc/31/72/45/459317245.db2.gz ZGRFMPFWVWGMHK-LPHOPBHVSA-N 2 0 346.515 3.259 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000534347010 459319933 /nfs/dbraw/zinc/31/99/33/459319933.db2.gz SFMBLCJZLOPEPM-UHFFFAOYSA-N 2 0 341.503 3.034 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1C(C)(C)C ZINC000534351890 459321266 /nfs/dbraw/zinc/32/12/66/459321266.db2.gz HKQLUSYCKBBMMI-IRXDYDNUSA-N 2 0 345.531 3.222 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000482856367 459326656 /nfs/dbraw/zinc/32/66/56/459326656.db2.gz KCDBOTWWIVWFHQ-GOSISDBHSA-N 2 0 345.531 3.267 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826282 459337756 /nfs/dbraw/zinc/33/77/56/459337756.db2.gz FHNTVCUUTXCIAY-LJQANCHMSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524594214 459373735 /nfs/dbraw/zinc/37/37/35/459373735.db2.gz HRJPKSIWVHRDOJ-AZUAARDMSA-N 2 0 343.515 3.156 20 0 EGADRP CCN1CCC([N@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496929309 459375697 /nfs/dbraw/zinc/37/56/97/459375697.db2.gz SHKFDDOXMYARGB-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000569090931 459393460 /nfs/dbraw/zinc/39/34/60/459393460.db2.gz UGHHWZYBESVRFI-UYAOXDASSA-N 2 0 343.446 3.092 20 0 EGADRP CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000483858882 459395747 /nfs/dbraw/zinc/39/57/47/459395747.db2.gz LBEDNWZGGHGCGO-MOXGXCLJSA-N 2 0 334.504 3.481 20 0 EGADRP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000560827082 459400384 /nfs/dbraw/zinc/40/03/84/459400384.db2.gz UTVAPYOFELOOQQ-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@@H+]1C[C@H](C)[C@H](NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484503833 459416378 /nfs/dbraw/zinc/41/63/78/459416378.db2.gz SWPAVZLSWJWZJZ-CGBFIWBNSA-N 2 0 329.532 3.073 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1 ZINC000591718540 459425405 /nfs/dbraw/zinc/42/54/05/459425405.db2.gz LNNHDPCMICHSBQ-LJQANCHMSA-N 2 0 326.440 3.110 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000582887313 459444633 /nfs/dbraw/zinc/44/46/33/459444633.db2.gz OFJIBGLIILQVMU-MNEFBYGVSA-N 2 0 336.907 3.362 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)C(C)(C)C ZINC000569686450 459493719 /nfs/dbraw/zinc/49/37/19/459493719.db2.gz HXFMOVIYGQZIEC-RDJZCZTQSA-N 2 0 342.911 3.036 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1 ZINC000583409057 459533336 /nfs/dbraw/zinc/53/33/36/459533336.db2.gz YAJHBGNOCQBNGS-KRWDZBQOSA-N 2 0 327.472 3.305 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000497867571 459561973 /nfs/dbraw/zinc/56/19/73/459561973.db2.gz KQJHDRIQHPILCN-BRWVUGGUSA-N 2 0 326.525 3.454 20 0 EGADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000583673723 459578534 /nfs/dbraw/zinc/57/85/34/459578534.db2.gz SQZHOKRWRNYMHA-OAHLLOKOSA-N 2 0 347.272 3.207 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000542674323 459581038 /nfs/dbraw/zinc/58/10/38/459581038.db2.gz QFEMHGMVZAZQPZ-KXBFYZLASA-N 2 0 335.923 3.333 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542701803 459583350 /nfs/dbraw/zinc/58/33/50/459583350.db2.gz LCQXFOMUEZARAJ-OOFWQKGWSA-N 2 0 338.442 3.411 20 0 EGADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000572998697 459608526 /nfs/dbraw/zinc/60/85/26/459608526.db2.gz MHQRJCPIXXHJGO-FQEVSTJZSA-N 2 0 343.515 3.380 20 0 EGADRP O[C@H]1C[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)N(Cc2ccccc2)C1 ZINC000527523717 459654660 /nfs/dbraw/zinc/65/46/60/459654660.db2.gz SAKNDWSNQXVUSP-OALUTQOASA-N 2 0 346.421 3.349 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000563115843 459718108 /nfs/dbraw/zinc/71/81/08/459718108.db2.gz PPPKEHQCHJHSDK-LJQANCHMSA-N 2 0 331.504 3.181 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[N@H+](C)CCC[NH3+])cc2)c1 ZINC000563129893 459721678 /nfs/dbraw/zinc/72/16/78/459721678.db2.gz QUNQIMKJXWKCMQ-UHFFFAOYSA-N 2 0 330.428 3.277 20 0 EGADRP CC(C)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000584463854 459745140 /nfs/dbraw/zinc/74/51/40/459745140.db2.gz KRVSYQMNFYEORY-LMNJBCLMSA-N 2 0 329.532 3.047 20 0 EGADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069981 459775687 /nfs/dbraw/zinc/77/56/87/459775687.db2.gz QPLGITQHKIITJW-QXAKKESOSA-N 2 0 343.515 3.093 20 0 EGADRP Fc1ccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000566242298 459828042 /nfs/dbraw/zinc/82/80/42/459828042.db2.gz LHSAJBVBDIKUEQ-CQSZACIVSA-N 2 0 326.843 3.179 20 0 EGADRP C[C@H]1CC2(CN1C(=O)CC[C@H]([NH3+])CC1CCCCC1)CC[NH2+]CC2 ZINC000574564489 459834257 /nfs/dbraw/zinc/83/42/57/459834257.db2.gz RJKMHFZUYUQYKT-WMZOPIPTSA-N 2 0 335.536 3.055 20 0 EGADRP C(=C/c1ccccc1)\C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000588177644 459926076 /nfs/dbraw/zinc/92/60/76/459926076.db2.gz PZPKFGOHBYVXKR-NTUHNPAUSA-N 2 0 349.522 3.497 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000575172866 459941686 /nfs/dbraw/zinc/94/16/86/459941686.db2.gz OABVTHKDVQGDSU-QKYXUNIQSA-N 2 0 340.471 3.371 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000575635896 459991875 /nfs/dbraw/zinc/99/18/75/459991875.db2.gz AHSQMPIYEBTHBX-UHFFFAOYSA-N 2 0 339.483 3.191 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621655416 459997789 /nfs/dbraw/zinc/99/77/89/459997789.db2.gz MQVMHOAFFSXADF-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP COC(=O)CC1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000599041624 460136939 /nfs/dbraw/zinc/13/69/39/460136939.db2.gz FVGNBFZOIZOSBN-RZZCCWGQSA-N 2 0 336.520 3.351 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2ccccc21 ZINC000599069668 460150265 /nfs/dbraw/zinc/15/02/65/460150265.db2.gz IFADHBGMVMXTJN-AHRSYUTCSA-N 2 0 344.499 3.490 20 0 EGADRP COC(=O)CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000599308270 460223046 /nfs/dbraw/zinc/22/30/46/460223046.db2.gz SPTGXGCLXHRBMR-OAQYLSRUSA-N 2 0 344.499 3.318 20 0 EGADRP CCN(CC[NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000625832492 460277940 /nfs/dbraw/zinc/27/79/40/460277940.db2.gz DLEOBHYYBQIUBB-UHFFFAOYSA-N 2 0 332.492 3.264 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)C[C@H]2CC)cc1 ZINC000622651728 460290482 /nfs/dbraw/zinc/29/04/82/460290482.db2.gz PXNWLBYTIGGNDJ-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622753215 460304919 /nfs/dbraw/zinc/30/49/19/460304919.db2.gz TZWGVIQUIHLZJC-FXAWDEMLSA-N 2 0 347.547 3.307 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC000615447277 460329687 /nfs/dbraw/zinc/32/96/87/460329687.db2.gz DBPSYULDGSKDFF-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000626062652 460358885 /nfs/dbraw/zinc/35/88/85/460358885.db2.gz AFKXVIBRPIWOTJ-NRFANRHFSA-N 2 0 326.484 3.174 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000611439018 460365244 /nfs/dbraw/zinc/36/52/44/460365244.db2.gz FLMAJYAGLXKFBY-HNNXBMFYSA-N 2 0 332.488 3.462 20 0 EGADRP CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000626159114 460405861 /nfs/dbraw/zinc/40/58/61/460405861.db2.gz HDPHXNFMKZVOBF-OAQYLSRUSA-N 2 0 343.515 3.163 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)CC1 ZINC000634678501 460472155 /nfs/dbraw/zinc/47/21/55/460472155.db2.gz VWXBSSYGXYSCRF-BEFAXECRSA-N 2 0 339.474 3.278 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC(F)F ZINC000634733146 460497354 /nfs/dbraw/zinc/49/73/54/460497354.db2.gz XVPBXYAAOLMOHK-CYBMUJFWSA-N 2 0 328.403 3.164 20 0 EGADRP CC(C)[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667365 460502036 /nfs/dbraw/zinc/50/20/36/460502036.db2.gz OIZRELGRSLRZNZ-ICSRJNTNSA-N 2 0 329.532 3.217 20 0 EGADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000629399236 460748353 /nfs/dbraw/zinc/74/83/53/460748353.db2.gz DPWSMBUEJCTHSZ-HZPDHXFCSA-N 2 0 330.394 3.297 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635345029 460749025 /nfs/dbraw/zinc/74/90/25/460749025.db2.gz JVWNZJVAQZYZAN-MRXNPFEDSA-N 2 0 329.488 3.341 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000629540696 460801268 /nfs/dbraw/zinc/80/12/68/460801268.db2.gz WTIBIZZSRDCKKW-UYAOXDASSA-N 2 0 331.504 3.232 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000629656383 460851297 /nfs/dbraw/zinc/85/12/97/460851297.db2.gz NYPZQNGLRUBYRH-HZPDHXFCSA-N 2 0 342.405 3.013 20 0 EGADRP c1cc(OCC[NH+]2CCCCC2)cc(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000629697702 460871484 /nfs/dbraw/zinc/87/14/84/460871484.db2.gz PTPXGDNGHWTWQD-UHFFFAOYSA-N 2 0 343.496 3.321 20 0 EGADRP C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000624123545 460872645 /nfs/dbraw/zinc/87/26/45/460872645.db2.gz NWEWRPGQZUGOFD-OLZOCXBDSA-N 2 0 326.282 3.227 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000632953647 460905571 /nfs/dbraw/zinc/90/55/71/460905571.db2.gz ZVROJBXZJNQLKY-UHFFFAOYSA-N 2 0 344.503 3.326 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000621379648 461014514 /nfs/dbraw/zinc/01/45/14/461014514.db2.gz PWSCADZUJWAJRT-UHFFFAOYSA-N 2 0 332.492 3.086 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000628236416 461057083 /nfs/dbraw/zinc/05/70/83/461057083.db2.gz AFYUNJIUIYGPRO-GCJKJVERSA-N 2 0 338.495 3.455 20 0 EGADRP CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1(C)C ZINC000608579382 461085817 /nfs/dbraw/zinc/08/58/17/461085817.db2.gz HQSNQWOAAVDWCM-PZJWPPBQSA-N 2 0 346.515 3.454 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000652349555 461144321 /nfs/dbraw/zinc/14/43/21/461144321.db2.gz SKRHYPWTHALDMI-SQWLQELKSA-N 2 0 331.485 3.015 20 0 EGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@H]1CC[NH3+] ZINC000652353922 461149820 /nfs/dbraw/zinc/14/98/20/461149820.db2.gz HBMWXUGLIVRGCM-WBMJQRKESA-N 2 0 341.858 3.257 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Cl)C1 ZINC000652363426 461157650 /nfs/dbraw/zinc/15/76/50/461157650.db2.gz DNILBPIDHITNMB-DJIMGWMZSA-N 2 0 326.843 3.340 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641168433 461162760 /nfs/dbraw/zinc/16/27/60/461162760.db2.gz FEMUDLYWFFHARN-SJLPKXTDSA-N 2 0 347.894 3.243 20 0 EGADRP CCN(C(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662290298 461167478 /nfs/dbraw/zinc/16/74/78/461167478.db2.gz BXQUKUHRJBKHMJ-PKOBYXMFSA-N 2 0 343.515 3.140 20 0 EGADRP Cc1cncc(CC[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549160 461169392 /nfs/dbraw/zinc/16/93/92/461169392.db2.gz WCVPALCYWFDHJL-RXVVDRJESA-N 2 0 338.499 3.312 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292215 461169634 /nfs/dbraw/zinc/16/96/34/461169634.db2.gz CDGDMXKYZKHEMN-APWZRJJASA-N 2 0 343.515 3.288 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000649552037 461170785 /nfs/dbraw/zinc/17/07/85/461170785.db2.gz VDWIRKSUNZLNHY-HBMCJLEFSA-N 2 0 327.516 3.067 20 0 EGADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298364 461176530 /nfs/dbraw/zinc/17/65/30/461176530.db2.gz VRYLONVPYQWWPD-ZBFHGGJFSA-N 2 0 340.471 3.108 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000662312046 461183971 /nfs/dbraw/zinc/18/39/71/461183971.db2.gz FLLGSTVWPSRUFT-ICSRJNTNSA-N 2 0 332.488 3.019 20 0 EGADRP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662316990 461187733 /nfs/dbraw/zinc/18/77/33/461187733.db2.gz YULWGBKWEMEWFN-NVXWUHKLSA-N 2 0 328.460 3.384 20 0 EGADRP C[C@@H](c1ccncc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327482 461195010 /nfs/dbraw/zinc/19/50/10/461195010.db2.gz PEBXGNXJFSIERK-HNNXBMFYSA-N 2 0 339.487 3.212 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000662375211 461218459 /nfs/dbraw/zinc/21/84/59/461218459.db2.gz VPBQYUAPLGAFQE-NHCUHLMSSA-N 2 0 349.478 3.174 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000662472905 461257021 /nfs/dbraw/zinc/25/70/21/461257021.db2.gz QLUMYMCYUNEPPF-KRWDZBQOSA-N 2 0 349.478 3.026 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000662487287 461265834 /nfs/dbraw/zinc/26/58/34/461265834.db2.gz QFSRBPZIJHDWKM-WMLDXEAASA-N 2 0 339.911 3.070 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662492601 461268744 /nfs/dbraw/zinc/26/87/44/461268744.db2.gz MNPBCXHUDMCXEF-QFBILLFUSA-N 2 0 349.478 3.073 20 0 EGADRP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(F)c1 ZINC000638155205 461278417 /nfs/dbraw/zinc/27/84/17/461278417.db2.gz ZKFWGYFHIUIKMI-UHFFFAOYSA-N 2 0 333.495 3.125 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000668511270 461309291 /nfs/dbraw/zinc/30/92/91/461309291.db2.gz DXZXWJJKMBOHML-RTBURBONSA-N 2 0 333.545 3.413 20 0 EGADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000633944394 461342150 /nfs/dbraw/zinc/34/21/50/461342150.db2.gz RRJHODGQCIUSLP-SFHVURJKSA-N 2 0 347.547 3.118 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000655687763 461361186 /nfs/dbraw/zinc/36/11/86/461361186.db2.gz ZDMFXWUEZVMBLE-VQTJNVASSA-N 2 0 329.532 3.152 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]CCC3CCOCC3)cc2)C[C@@H](C)O1 ZINC000638335030 461374355 /nfs/dbraw/zinc/37/43/55/461374355.db2.gz IGCGPFDUEXVJAZ-QZTJIDSGSA-N 2 0 346.515 3.202 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641799360 461377632 /nfs/dbraw/zinc/37/76/32/461377632.db2.gz LNNJCRMTFZKDER-MAUKXSAKSA-N 2 0 331.485 3.015 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]CCCc3cnn(C)c3)cc2)C1 ZINC000638363579 461387491 /nfs/dbraw/zinc/38/74/91/461387491.db2.gz PHWXZVLMLCJBEK-GOSISDBHSA-N 2 0 340.515 3.374 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641817888 461387637 /nfs/dbraw/zinc/38/76/37/461387637.db2.gz OJCNIKKSHAOZHC-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000662835403 461388589 /nfs/dbraw/zinc/38/85/89/461388589.db2.gz NNGXDYSMIRYDKH-QYZOEREBSA-N 2 0 335.536 3.197 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cc(C)ns3)CC2)cc1 ZINC000638453004 461436122 /nfs/dbraw/zinc/43/61/22/461436122.db2.gz IMZWHOOUQNXNCS-UHFFFAOYSA-N 2 0 345.512 3.462 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000655783326 461444590 /nfs/dbraw/zinc/44/45/90/461444590.db2.gz BXTNMCHYAKMFOY-UHFFFAOYSA-N 2 0 326.488 3.452 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000668820345 461452329 /nfs/dbraw/zinc/45/23/29/461452329.db2.gz UHVDQUJVLITELS-QFBILLFUSA-N 2 0 346.515 3.434 20 0 EGADRP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638565841 461487391 /nfs/dbraw/zinc/48/73/91/461487391.db2.gz XWFOBYHYTLFHIN-WFXMLNOXSA-N 2 0 325.500 3.181 20 0 EGADRP C[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000638574778 461492438 /nfs/dbraw/zinc/49/24/38/461492438.db2.gz HRGQNXRSOFCDKC-PLMTUMEDSA-N 2 0 327.516 3.427 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000659946047 461508528 /nfs/dbraw/zinc/50/85/28/461508528.db2.gz ZBDJUAJQEAFTLO-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP Cn1c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc2ccccc21 ZINC000638751416 461561702 /nfs/dbraw/zinc/56/17/02/461561702.db2.gz QQVZJOVHFLIQPK-SFTDATJTSA-N 2 0 341.499 3.036 20 0 EGADRP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347437 461577355 /nfs/dbraw/zinc/57/73/55/461577355.db2.gz KLTXYNFAXIORJK-OAHLLOKOSA-N 2 0 330.501 3.350 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653252958 461591291 /nfs/dbraw/zinc/59/12/91/461591291.db2.gz AOJBQFWLPWQRBY-INIZCTEOSA-N 2 0 347.528 3.345 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000647288044 461614357 /nfs/dbraw/zinc/61/43/57/461614357.db2.gz FEGVJKZPUHSXPO-XLIONFOSSA-N 2 0 333.520 3.008 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000647288043 461614454 /nfs/dbraw/zinc/61/44/54/461614454.db2.gz FEGVJKZPUHSXPO-PXNSSMCTSA-N 2 0 333.520 3.008 20 0 EGADRP c1ccc([C@@H]2C[C@H](NCCC[NH+]3CCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638849273 461615456 /nfs/dbraw/zinc/61/54/56/461615456.db2.gz RSWHSQLAAASUBZ-CTNGQTDRSA-N 3 0 327.516 3.430 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000638862296 461625675 /nfs/dbraw/zinc/62/56/75/461625675.db2.gz REVLKDHMBRCCMD-INIZCTEOSA-N 2 0 329.488 3.187 20 0 EGADRP CCn1nc(C)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000631196205 461636345 /nfs/dbraw/zinc/63/63/45/461636345.db2.gz OSIZBAFOJSAERU-UZLBHIALSA-N 2 0 340.515 3.378 20 0 EGADRP Cc1cnc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000656200133 461644669 /nfs/dbraw/zinc/64/46/69/461644669.db2.gz JZOWMWKDRVQCTR-TZIWHRDSSA-N 2 0 337.467 3.086 20 0 EGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663470137 461660712 /nfs/dbraw/zinc/66/07/12/461660712.db2.gz SJSUZGZVYTUAEA-IEBWSBKVSA-N 2 0 343.515 3.424 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000631243383 461669527 /nfs/dbraw/zinc/66/95/27/461669527.db2.gz FMBUZSWVEOOAOQ-UHFFFAOYSA-N 2 0 327.472 3.408 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000656250459 461672297 /nfs/dbraw/zinc/67/22/97/461672297.db2.gz SABLTSRTPFREPG-UHFFFAOYSA-N 2 0 344.478 3.484 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000656252206 461673955 /nfs/dbraw/zinc/67/39/55/461673955.db2.gz SUWURXYVQIHURM-UHFFFAOYSA-N 2 0 326.488 3.263 20 0 EGADRP C[NH2+]C[C@H](C)NCc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000663511222 461680608 /nfs/dbraw/zinc/68/06/08/461680608.db2.gz WFZVFDOEBIWPIQ-AWEZNQCLSA-N 2 0 330.476 3.011 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000631263061 461680799 /nfs/dbraw/zinc/68/07/99/461680799.db2.gz LLRDPNIKLDSPQZ-HZPDHXFCSA-N 2 0 328.378 3.202 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)CCCn1ccnc1 ZINC000656261619 461687025 /nfs/dbraw/zinc/68/70/25/461687025.db2.gz LODRSNRUTINEFG-UHFFFAOYSA-N 2 0 327.407 3.038 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639085237 461718874 /nfs/dbraw/zinc/71/88/74/461718874.db2.gz DQMJTFJGDRMSNW-UYAOXDASSA-N 2 0 327.516 3.428 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000647483312 461729530 /nfs/dbraw/zinc/72/95/30/461729530.db2.gz VMMXUXZTQPXWGC-IBGZPJMESA-N 2 0 340.471 3.049 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455556 461731845 /nfs/dbraw/zinc/73/18/45/461731845.db2.gz VCGWFADHJWSGRW-FRFSOERESA-N 2 0 341.421 3.262 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000643457221 461731874 /nfs/dbraw/zinc/73/18/74/461731874.db2.gz HAQHCJQJWNMNIN-JXFKEZNVSA-N 2 0 335.455 3.137 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000643455380 461732805 /nfs/dbraw/zinc/73/28/05/461732805.db2.gz AXCXPYMVUJNMOR-AVVWSFFYSA-N 2 0 341.421 3.391 20 0 EGADRP CC[C@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC000647498252 461737247 /nfs/dbraw/zinc/73/72/47/461737247.db2.gz DEDJTDDBEFDHQP-ICSRJNTNSA-N 2 0 326.488 3.107 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1[NH3+] ZINC000647498148 461737362 /nfs/dbraw/zinc/73/73/62/461737362.db2.gz BLKVMBAXKOCQKI-ICSRJNTNSA-N 2 0 325.456 3.220 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)C[C@H]21 ZINC000647511408 461740146 /nfs/dbraw/zinc/74/01/46/461740146.db2.gz IQDIACCQHDMWTK-KVSKMBFKSA-N 2 0 344.890 3.144 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CCCC[NH2+]4)[C@@H]3C2)cc1 ZINC000643501646 461747369 /nfs/dbraw/zinc/74/73/69/461747369.db2.gz NCLYCIJPJNEXCO-BQJUDKOJSA-N 2 0 327.516 3.019 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(C)c1 ZINC000643523444 461752270 /nfs/dbraw/zinc/75/22/70/461752270.db2.gz JCKYISMEELRXMF-MRXNPFEDSA-N 2 0 337.467 3.414 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543095 461756293 /nfs/dbraw/zinc/75/62/93/461756293.db2.gz HNDZCLMHLMXQJQ-IRXDYDNUSA-N 2 0 342.462 3.427 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543096 461757536 /nfs/dbraw/zinc/75/75/36/461757536.db2.gz HNDZCLMHLMXQJQ-SJORKVTESA-N 2 0 342.462 3.427 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543312 461757618 /nfs/dbraw/zinc/75/76/18/461757618.db2.gz KXIKVPVFYDJJGL-JKSUJKDBSA-N 2 0 342.462 3.427 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)O[C@@H](C)C2 ZINC000647543719 461759349 /nfs/dbraw/zinc/75/93/49/461759349.db2.gz RLPPTYGUPFHEMH-ULQDDVLXSA-N 2 0 344.499 3.230 20 0 EGADRP COc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCCC2)c1 ZINC000647548590 461761785 /nfs/dbraw/zinc/76/17/85/461761785.db2.gz JVYMOXYCCRYUGF-JENIJYKNSA-N 2 0 328.500 3.485 20 0 EGADRP OC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000656625355 461811576 /nfs/dbraw/zinc/81/15/76/461811576.db2.gz YWYFKEKRULDESC-MRXNPFEDSA-N 2 0 345.874 3.070 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647784334 461832749 /nfs/dbraw/zinc/83/27/49/461832749.db2.gz RABQCTHPBKHUTM-RBSFLKMASA-N 2 0 338.879 3.225 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647784336 461833685 /nfs/dbraw/zinc/83/36/85/461833685.db2.gz RABQCTHPBKHUTM-SOUVJXGZSA-N 2 0 338.879 3.225 20 0 EGADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786677 461834171 /nfs/dbraw/zinc/83/41/71/461834171.db2.gz VRWXRPKKWVDFEC-LXTVHRRPSA-N 2 0 342.405 3.450 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000647786636 461834521 /nfs/dbraw/zinc/83/45/21/461834521.db2.gz UQNHXXCPXACQGD-FDFHNCONSA-N 3 0 341.543 3.396 20 0 EGADRP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789563 461836001 /nfs/dbraw/zinc/83/60/01/461836001.db2.gz HENVZHOUVLXPPL-RBSFLKMASA-N 2 0 328.378 3.105 20 0 EGADRP COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660533066 461836196 /nfs/dbraw/zinc/83/61/96/461836196.db2.gz BJSJGGHDZQBTEJ-LNLFQRSKSA-N 2 0 334.504 3.169 20 0 EGADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)ccc1Cl ZINC000647794331 461838293 /nfs/dbraw/zinc/83/82/93/461838293.db2.gz YGHQANFTFASHTR-YJNKXOJESA-N 2 0 337.870 3.036 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n(-c2ccccc2)n1 ZINC000647792854 461838591 /nfs/dbraw/zinc/83/85/91/461838591.db2.gz BGORMHNHUPNVGZ-DSLXNQLJSA-N 2 0 338.499 3.089 20 0 EGADRP c1ccc(COc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccn2)cc1 ZINC000647793014 461838717 /nfs/dbraw/zinc/83/87/17/461838717.db2.gz HUWKVEUNWCVGGA-VAMGGRTRSA-N 2 0 337.467 3.138 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000647797939 461841083 /nfs/dbraw/zinc/84/10/83/461841083.db2.gz HSQJRXDZUHIZHQ-QSPRXWTASA-N 2 0 328.435 3.050 20 0 EGADRP Brc1cccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814831 461848855 /nfs/dbraw/zinc/84/88/55/461848855.db2.gz HYJPVNKBHNHNAH-UHFFFAOYSA-N 2 0 339.277 3.044 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666954088 461886618 /nfs/dbraw/zinc/88/66/18/461886618.db2.gz PJRAWIYQBCDBMD-CZUORRHYSA-N 2 0 335.879 3.097 20 0 EGADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2cc(N)ccc2O1 ZINC000666959403 461889293 /nfs/dbraw/zinc/88/92/93/461889293.db2.gz MBLYDMLLEDXEIN-HPBDAGMYSA-N 2 0 329.488 3.381 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784508 461894435 /nfs/dbraw/zinc/89/44/35/461894435.db2.gz DPCYRSDICMGTJO-MRXNPFEDSA-N 2 0 336.549 3.201 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784564 461894598 /nfs/dbraw/zinc/89/45/98/461894598.db2.gz BXDCWDRGCNSZAE-RDJZCZTQSA-N 2 0 335.517 3.206 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000656787322 461897265 /nfs/dbraw/zinc/89/72/65/461897265.db2.gz XHJHWPDTRCRXNK-INIZCTEOSA-N 2 0 328.460 3.190 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786210 461897420 /nfs/dbraw/zinc/89/74/20/461897420.db2.gz PRUFZPRIIUEPPG-OAQYLSRUSA-N 2 0 338.499 3.143 20 0 EGADRP CCOCc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OC ZINC000656786230 461898604 /nfs/dbraw/zinc/89/86/04/461898604.db2.gz QHIDCOLPYMDJRQ-IBGZPJMESA-N 2 0 346.515 3.443 20 0 EGADRP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000650711190 461904829 /nfs/dbraw/zinc/90/48/29/461904829.db2.gz LESMPRUFSKZCFJ-GOEBONIOSA-N 2 0 336.476 3.052 20 0 EGADRP CC1(C)Cc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2O1 ZINC000650723915 461916886 /nfs/dbraw/zinc/91/68/86/461916886.db2.gz VTYSIHROIQMPFI-GGPKGHCWSA-N 2 0 344.499 3.261 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974958 461917285 /nfs/dbraw/zinc/91/72/85/461917285.db2.gz DIMQDSUBFSZPDM-CVEARBPZSA-N 2 0 349.906 3.299 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975330 461917537 /nfs/dbraw/zinc/91/75/37/461917537.db2.gz WIFKUCHHGXQMFZ-JKSUJKDBSA-N 2 0 349.906 3.299 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975327 461917757 /nfs/dbraw/zinc/91/77/57/461917757.db2.gz WIFKUCHHGXQMFZ-CVEARBPZSA-N 2 0 349.906 3.299 20 0 EGADRP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000667030332 461920127 /nfs/dbraw/zinc/92/01/27/461920127.db2.gz GBMGLYAMDIIPNV-BDXSIMOUSA-N 2 0 334.508 3.024 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977950 461920435 /nfs/dbraw/zinc/92/04/35/461920435.db2.gz KCLLBRAVDFGTHI-WDSOQIARSA-N 2 0 343.515 3.288 20 0 EGADRP COc1ccccc1COC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647990381 461926403 /nfs/dbraw/zinc/92/64/03/461926403.db2.gz VMRLWTPGJGPYDV-UHFFFAOYSA-N 2 0 346.515 3.456 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000650762325 461939882 /nfs/dbraw/zinc/93/98/82/461939882.db2.gz ZYJXMLZONHOOML-OALUTQOASA-N 2 0 336.907 3.409 20 0 EGADRP COC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000650764286 461942041 /nfs/dbraw/zinc/94/20/41/461942041.db2.gz VEODUUKTQDMROG-INIZCTEOSA-N 2 0 330.394 3.372 20 0 EGADRP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000650763040 461942561 /nfs/dbraw/zinc/94/25/61/461942561.db2.gz PJYBEQLJGJSFHB-HNNXBMFYSA-N 2 0 327.394 3.457 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000648035896 461952021 /nfs/dbraw/zinc/95/20/21/461952021.db2.gz UJHFDYHJOYQXBS-KRWDZBQOSA-N 2 0 342.487 3.152 20 0 EGADRP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCC2 ZINC000639543521 461980212 /nfs/dbraw/zinc/98/02/12/461980212.db2.gz IYFNXEWDGKGWDV-UTKZUKDTSA-N 2 0 326.484 3.208 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000644550721 461982592 /nfs/dbraw/zinc/98/25/92/461982592.db2.gz SRXVJDIZHZOUGZ-BSWAZPDLSA-N 2 0 348.453 3.465 20 0 EGADRP CC(C)([NH3+])CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648167678 461995908 /nfs/dbraw/zinc/99/59/08/461995908.db2.gz LOLYFKNCWIQZMO-OALUTQOASA-N 2 0 343.515 3.017 20 0 EGADRP CCc1cccc2cc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)oc21 ZINC000657305828 462031344 /nfs/dbraw/zinc/03/13/44/462031344.db2.gz MTALQSWJBQUBMZ-UHFFFAOYSA-N 2 0 329.488 3.111 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]C3CCC(C4CCC4)CC3)CC2)CC1 ZINC000657338135 462057032 /nfs/dbraw/zinc/05/70/32/462057032.db2.gz RGCIMVUMVKSKOA-UHFFFAOYSA-N 2 0 333.564 3.494 20 0 EGADRP CCc1cccc2cc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)oc21 ZINC000657357067 462068926 /nfs/dbraw/zinc/06/89/26/462068926.db2.gz VZUMOKJQFHFBTF-SFHVURJKSA-N 2 0 330.472 3.322 20 0 EGADRP CCCOc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000657358519 462069788 /nfs/dbraw/zinc/06/97/88/462069788.db2.gz FFOJZPMPVMDDLZ-IBGZPJMESA-N 2 0 345.531 3.042 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc21 ZINC000657367443 462076228 /nfs/dbraw/zinc/07/62/28/462076228.db2.gz OGZGZVIKLDYALW-IAGOWNOFSA-N 2 0 329.488 3.455 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000648491774 462146234 /nfs/dbraw/zinc/14/62/34/462146234.db2.gz DEFBPBLVDIUYBJ-VQTJNVASSA-N 2 0 346.515 3.251 20 0 EGADRP COCc1csc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657613824 462204048 /nfs/dbraw/zinc/20/40/48/462204048.db2.gz RUYQLAVGOZYSSX-UHFFFAOYSA-N 2 0 345.512 3.291 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667681570 462211216 /nfs/dbraw/zinc/21/12/16/462211216.db2.gz MBLGIVIFHONADK-INIZCTEOSA-N 2 0 333.501 3.229 20 0 EGADRP CCc1ccc([C@H](CNC(=O)Nc2cccc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000667732558 462236734 /nfs/dbraw/zinc/23/67/34/462236734.db2.gz MXBNTKVMDFECMP-IBGZPJMESA-N 2 0 340.471 3.132 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000667777388 462258365 /nfs/dbraw/zinc/25/83/65/462258365.db2.gz XAOMTIJKELNORG-SFHVURJKSA-N 2 0 348.531 3.353 20 0 EGADRP COc1cccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1C ZINC000657805553 462275073 /nfs/dbraw/zinc/27/50/73/462275073.db2.gz YWKXRJUZOSGECH-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(COC[C@H]2CCCO2)c1 ZINC000657802633 462275874 /nfs/dbraw/zinc/27/58/74/462275874.db2.gz COVNHTKVTNLAAP-QHAWAJNXSA-N 2 0 344.499 3.099 20 0 EGADRP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000651614202 462278140 /nfs/dbraw/zinc/27/81/40/462278140.db2.gz BVUROFZXWOVWEJ-UHFFFAOYSA-N 2 0 326.488 3.263 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000657815979 462280734 /nfs/dbraw/zinc/28/07/34/462280734.db2.gz TZJJFTZHVWFNRF-UHFFFAOYSA-N 2 0 342.487 3.200 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657833456 462288075 /nfs/dbraw/zinc/28/80/75/462288075.db2.gz AJAJBSVFEDXABN-LJQANCHMSA-N 2 0 337.939 3.278 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657834486 462290143 /nfs/dbraw/zinc/29/01/43/462290143.db2.gz PRIAPVXCIUFXDE-LJQANCHMSA-N 2 0 337.939 3.278 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000648815694 462291090 /nfs/dbraw/zinc/29/10/90/462291090.db2.gz PGEDBCDOTFKWCS-IBGZPJMESA-N 2 0 332.488 3.068 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000667854265 462295820 /nfs/dbraw/zinc/29/58/20/462295820.db2.gz GIPIULZYTLQKSA-VQIMIIECSA-N 2 0 344.503 3.312 20 0 EGADRP CCOC1CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000657868498 462302756 /nfs/dbraw/zinc/30/27/56/462302756.db2.gz UMNVERPVUXKOAG-QNGMFEMESA-N 2 0 330.516 3.488 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnnn2-c2ccccc2)c1 ZINC000651688973 462304965 /nfs/dbraw/zinc/30/49/65/462304965.db2.gz BOWPETKJEPNWQL-UHFFFAOYSA-N 2 0 349.482 3.397 20 0 EGADRP C[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000651699090 462308071 /nfs/dbraw/zinc/30/80/71/462308071.db2.gz GRHVQMROOHEELB-QFBILLFUSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237590 462363879 /nfs/dbraw/zinc/36/38/79/462363879.db2.gz FFEPNCLJMQKMNO-ZBEGNZNMSA-N 2 0 345.409 3.389 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000658068068 462364633 /nfs/dbraw/zinc/36/46/33/462364633.db2.gz BOFIRQVOAKELLQ-NUJGCVRESA-N 2 0 335.923 3.486 20 0 EGADRP C[C@@H](Cc1ccccc1F)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071746 462367463 /nfs/dbraw/zinc/36/74/63/462367463.db2.gz YDWZPAJSHBEUOQ-INIZCTEOSA-N 2 0 334.479 3.237 20 0 EGADRP CC[N@H+](CCCNCc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000651910113 462376808 /nfs/dbraw/zinc/37/68/08/462376808.db2.gz HGGRGXRIUJKTLL-UHFFFAOYSA-N 2 0 328.451 3.283 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@H](C)C1 ZINC000658106691 462388080 /nfs/dbraw/zinc/38/80/80/462388080.db2.gz AUEVSLRDAJZNHD-QZTJIDSGSA-N 2 0 342.568 3.290 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(O)c1 ZINC000658163714 462413136 /nfs/dbraw/zinc/41/31/36/462413136.db2.gz AEMZYTAYVJBFJC-INIZCTEOSA-N 2 0 325.456 3.350 20 0 EGADRP Cc1c(-c2cc(C[N@H+](C)CCCC[NH+]3CCCCC3)on2)cnn1C ZINC000640532188 462431646 /nfs/dbraw/zinc/43/16/46/462431646.db2.gz BFHWGTRFOIOKET-UHFFFAOYSA-N 2 0 345.491 3.081 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150329 462451595 /nfs/dbraw/zinc/45/15/95/462451595.db2.gz SSSKCUNXLRNWAO-INIZCTEOSA-N 2 0 336.476 3.095 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000649330134 462479697 /nfs/dbraw/zinc/47/96/97/462479697.db2.gz ZGQLLRDRTMYHRX-WMZOPIPTSA-N 2 0 331.504 3.015 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000658342691 462482963 /nfs/dbraw/zinc/48/29/63/462482963.db2.gz DXCYDDAGPMMNDU-NSISKUIASA-N 2 0 343.515 3.048 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000658357399 462488781 /nfs/dbraw/zinc/48/87/81/462488781.db2.gz OMGZHVPPOJWBES-KRWDZBQOSA-N 2 0 343.515 3.424 20 0 EGADRP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000649418543 462504168 /nfs/dbraw/zinc/50/41/68/462504168.db2.gz UWFUPHHIYLHGJY-IAGOWNOFSA-N 2 0 325.456 3.472 20 0 EGADRP CC(C)CC1([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000662069351 462518294 /nfs/dbraw/zinc/51/82/94/462518294.db2.gz KTURCIRGBBSTPY-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000155143755 533840710 /nfs/dbraw/zinc/84/07/10/533840710.db2.gz YSJMBJWPSITIOW-ROUUACIJSA-N 2 0 338.499 3.035 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccn1 ZINC000158606693 533849109 /nfs/dbraw/zinc/84/91/09/533849109.db2.gz AOYLCNKVDJCYOM-GHTZIAJQSA-N 2 0 338.499 3.111 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000169139113 533889041 /nfs/dbraw/zinc/88/90/41/533889041.db2.gz XCFAFFBHFYXUBF-LAUBAEHRSA-N 2 0 342.483 3.185 20 0 EGADRP CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116056 517767452 /nfs/dbraw/zinc/76/74/52/517767452.db2.gz LGKVGWDILALFIS-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527894577 518181995 /nfs/dbraw/zinc/18/19/95/518181995.db2.gz UDUMMCPDCFNWAO-FZKQIMNGSA-N 2 0 339.886 3.082 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000182277589 534447356 /nfs/dbraw/zinc/44/73/56/534447356.db2.gz DXLFFQMSBZEIKV-ZIFCJYIRSA-N 2 0 332.488 3.218 20 0 EGADRP CC1(C)[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181917562 527827689 /nfs/dbraw/zinc/82/76/89/527827689.db2.gz GTSJDCRHYSFAQO-QYZOEREBSA-N 2 0 329.488 3.091 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000174956071 527849079 /nfs/dbraw/zinc/84/90/79/527849079.db2.gz CGCCFKKVNKUYEM-OAHLLOKOSA-N 2 0 337.895 3.332 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000131157059 527964348 /nfs/dbraw/zinc/96/43/48/527964348.db2.gz YGKZOHOEQASXFU-SFHVURJKSA-N 3 0 347.547 3.398 20 0 EGADRP CCC[C@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000179599154 528130043 /nfs/dbraw/zinc/13/00/43/528130043.db2.gz MCTCFVNCAADHTD-OAQYLSRUSA-N 2 0 329.532 3.284 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC3(C[NH3+])CCCCC3)C2)CC1 ZINC000184229591 528254517 /nfs/dbraw/zinc/25/45/17/528254517.db2.gz FVRPZCVHEXCYPJ-LJQANCHMSA-N 2 0 349.563 3.256 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000164903314 528269197 /nfs/dbraw/zinc/26/91/97/528269197.db2.gz NUGCDQVEWFFLQF-NXCDMZCRSA-N 2 0 349.544 3.168 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000174119901 528772982 /nfs/dbraw/zinc/77/29/82/528772982.db2.gz MDMPXGREAXCSMT-FQEVSTJZSA-N 2 0 345.531 3.473 20 0 EGADRP CCC[C@@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163957604 528899496 /nfs/dbraw/zinc/89/94/96/528899496.db2.gz MHTIFVJSOGJFNQ-QGZVFWFLSA-N 2 0 334.504 3.454 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc2c(c1)CCO2 ZINC000154486294 529160711 /nfs/dbraw/zinc/16/07/11/529160711.db2.gz CJNCJIAQHARLJU-HXUWFJFHSA-N 2 0 345.531 3.080 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](CC)C2)cc1)C(C)C ZINC000338077654 535782272 /nfs/dbraw/zinc/78/22/72/535782272.db2.gz CFYIOCQWDVVLFU-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCn1nccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350552746 535868061 /nfs/dbraw/zinc/86/80/61/535868061.db2.gz FABVUMSYAFPERB-UYAOXDASSA-N 2 0 326.488 3.075 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000353531451 535892944 /nfs/dbraw/zinc/89/29/44/535892944.db2.gz PADQYZLJFBMXOR-UHFFFAOYSA-N 2 0 346.393 3.128 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000345512380 535997224 /nfs/dbraw/zinc/99/72/24/535997224.db2.gz DLPMVGCTPIMZIA-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000089514025 546645110 /nfs/dbraw/zinc/64/51/10/546645110.db2.gz DXCCWHDZHLZOSS-HOTGVXAUSA-N 2 0 331.504 3.491 20 0 EGADRP C[C@@H]([NH2+]CCCOc1cccc2cccnc21)C1CC[NH+](C)CC1 ZINC000089627795 546645787 /nfs/dbraw/zinc/64/57/87/546645787.db2.gz UNXOLZAANHRJET-MRXNPFEDSA-N 2 0 327.472 3.324 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000090913539 546661802 /nfs/dbraw/zinc/66/18/02/546661802.db2.gz BXRKXRZENIIZCT-IERDGZPVSA-N 2 0 339.483 3.500 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000093589354 546684140 /nfs/dbraw/zinc/68/41/40/546684140.db2.gz JZEPQSDLFQIFNC-UHFFFAOYSA-N 2 0 344.499 3.306 20 0 EGADRP CCN1CCC([N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000125288667 546750793 /nfs/dbraw/zinc/75/07/93/546750793.db2.gz KCDYIBPQCCYBOY-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159112697 546934836 /nfs/dbraw/zinc/93/48/36/546934836.db2.gz BPWZBEJRKFGQAF-GJZGRUSLSA-N 2 0 344.503 3.351 20 0 EGADRP C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000163040596 546969683 /nfs/dbraw/zinc/96/96/83/546969683.db2.gz QORQVENWIPJYHK-QGZVFWFLSA-N 2 0 339.593 3.058 20 0 EGADRP CC(C)CO[C@@H]1CC[NH+]([C@@H](C)CC[N@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000245677443 547266877 /nfs/dbraw/zinc/26/68/77/547266877.db2.gz IMMFQCDSRPKDST-XUVXKRRUSA-N 2 0 340.552 3.259 20 0 EGADRP Cc1ccc2ncc(C[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)n2c1 ZINC000270195477 547342552 /nfs/dbraw/zinc/34/25/52/547342552.db2.gz YGUQFLNNKFZQTK-FATZIPQQSA-N 2 0 327.453 3.231 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310894537 547461653 /nfs/dbraw/zinc/46/16/53/547461653.db2.gz ZXHIZEQIWIZAEJ-YSIASYRMSA-N 2 0 345.531 3.024 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000326976143 547477948 /nfs/dbraw/zinc/47/79/48/547477948.db2.gz USMNZFBMDWRZEK-IBGZPJMESA-N 2 0 340.515 3.161 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)CC2 ZINC000358915629 547748390 /nfs/dbraw/zinc/74/83/90/547748390.db2.gz PKGDGTNFIUFIIK-SFHVURJKSA-N 2 0 332.488 3.403 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414933947 547861167 /nfs/dbraw/zinc/86/11/67/547861167.db2.gz XJNNLMWDVXSQOU-JHJVBQTASA-N 2 0 343.393 3.282 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000414928100 547861239 /nfs/dbraw/zinc/86/12/39/547861239.db2.gz PVIBCILQZRXSTF-LSDHHAIUSA-N 2 0 338.377 3.455 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000671309256 548275931 /nfs/dbraw/zinc/27/59/31/548275931.db2.gz QTHRGMNBGKYRRC-NHCUHLMSSA-N 2 0 344.499 3.305 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)CN1Cc1ccccc1 ZINC000672614647 548453419 /nfs/dbraw/zinc/45/34/19/548453419.db2.gz GXMIXAQQPMEOKA-NHCUHLMSSA-N 2 0 338.495 3.233 20 0 EGADRP C[NH+](C/C=C\C[N@@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000674005867 548670645 /nfs/dbraw/zinc/67/06/45/548670645.db2.gz QYKYLAXOKPXTMC-ARJAWSKDSA-N 2 0 326.440 3.218 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1Cl ZINC000675742866 548972060 /nfs/dbraw/zinc/97/20/60/548972060.db2.gz XOPRSKIMSWMLSI-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)C1CC[NH+](C)CC1 ZINC000675775458 548979251 /nfs/dbraw/zinc/97/92/51/548979251.db2.gz GGGNRBZEEJFMRM-HNNXBMFYSA-N 2 0 341.455 3.352 20 0 EGADRP c1ccc2c(c1)OC[C@@H](C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)O2 ZINC000676901361 549176185 /nfs/dbraw/zinc/17/61/85/549176185.db2.gz SINLJVNVSBNJLM-LJQANCHMSA-N 2 0 344.499 3.414 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCc3c2cc(F)cc3F)C[C@H](C)O1 ZINC000677129137 549214211 /nfs/dbraw/zinc/21/42/11/549214211.db2.gz GZLBUEYFACEPOG-KSMMKXTCSA-N 2 0 338.442 3.431 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)CCc3ccccc3)CC2)CC1 ZINC000677738160 549324509 /nfs/dbraw/zinc/32/45/09/549324509.db2.gz JOQLVFYDKGEKQV-HXUWFJFHSA-N 2 0 343.559 3.498 20 0 EGADRP CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000678340796 549472611 /nfs/dbraw/zinc/47/26/11/549472611.db2.gz QWWCLVWJKGMSAN-VQTJNVASSA-N 2 0 346.515 3.407 20 0 EGADRP Cc1ncc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)s1 ZINC000679081016 549631121 /nfs/dbraw/zinc/63/11/21/549631121.db2.gz UZMASHUHHPPVMC-DOMZBBRYSA-N 2 0 331.489 3.160 20 0 EGADRP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000679721605 549768407 /nfs/dbraw/zinc/76/84/07/549768407.db2.gz PJBKEALBKNDJID-HSALFYBXSA-N 2 0 328.500 3.182 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)o1 ZINC000680201219 549831688 /nfs/dbraw/zinc/83/16/88/549831688.db2.gz LVOJNRBFPKQQJI-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP Cc1csc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000681387037 549990185 /nfs/dbraw/zinc/99/01/85/549990185.db2.gz CVFLHMQVHMKMML-AEFFLSMTSA-N 2 0 329.513 3.494 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000682373187 550090603 /nfs/dbraw/zinc/09/06/03/550090603.db2.gz KKWPQZVPBXOEJN-UHFFFAOYSA-N 2 0 343.437 3.131 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000683690195 550254266 /nfs/dbraw/zinc/25/42/66/550254266.db2.gz YSOCGBBVKRAFIM-PMACEKPBSA-N 2 0 329.532 3.487 20 0 EGADRP CN(C)c1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000684212471 550305442 /nfs/dbraw/zinc/30/54/42/550305442.db2.gz SVMFLCYPRINNRV-OYRHEFFESA-N 2 0 335.495 3.316 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2cnccc2c1 ZINC000685456076 550418374 /nfs/dbraw/zinc/41/83/74/550418374.db2.gz PFYMURMTSIZTMP-OAQYLSRUSA-N 2 0 340.515 3.083 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470423 550421153 /nfs/dbraw/zinc/42/11/53/550421153.db2.gz QDNWFEIAIFIMOU-BBRMVZONSA-N 2 0 338.879 3.273 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000685849567 550448266 /nfs/dbraw/zinc/44/82/66/550448266.db2.gz NBUFWQXWODNXEM-RBUKOAKNSA-N 2 0 332.488 3.016 20 0 EGADRP COc1ccc(Cl)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000742709519 576793820 /nfs/dbraw/zinc/79/38/20/576793820.db2.gz SEIDBWRNHYVFFK-GASCZTMLSA-N 2 0 340.895 3.328 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586289 608483458 /nfs/dbraw/zinc/48/34/58/608483458.db2.gz XOFYENVRHQZWLK-INIZCTEOSA-N 2 0 342.491 3.174 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000691658935 1298136332 /nfs/dbraw/zinc/13/63/32/1298136332.db2.gz FISDUZXYQIKULR-HOTGVXAUSA-N 2 0 327.513 3.096 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC000057994130 1291875516 /nfs/dbraw/zinc/87/55/16/1291875516.db2.gz BIHOHVNKDAXKSQ-CYBMUJFWSA-N 2 0 341.293 3.279 20 0 EGADRP C[NH+]1CCC(NC(=S)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000063149097 1292001350 /nfs/dbraw/zinc/00/13/50/1292001350.db2.gz DIZYMPBCJNIRGF-UHFFFAOYSA-N 2 0 346.544 3.053 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000067223123 1292154689 /nfs/dbraw/zinc/15/46/89/1292154689.db2.gz FSSDVYRAUQRQND-CQSZACIVSA-N 2 0 328.403 3.118 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000067452684 1292160839 /nfs/dbraw/zinc/16/08/39/1292160839.db2.gz IHFLISZPNSRSAP-QZTJIDSGSA-N 2 0 334.504 3.453 20 0 EGADRP COc1cccc2cc(C[NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)oc21 ZINC000067452868 1292161044 /nfs/dbraw/zinc/16/10/44/1292161044.db2.gz XYVJDPFJAIPZER-HOTGVXAUSA-N 2 0 346.471 3.420 20 0 EGADRP CO[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000831534023 1292879542 /nfs/dbraw/zinc/87/95/42/1292879542.db2.gz MLNYNUDUNQYYRL-JVSBHGNQSA-N 2 0 340.552 3.260 20 0 EGADRP [NH3+]Cc1cccc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000831827538 1292923465 /nfs/dbraw/zinc/92/34/65/1292923465.db2.gz NYWVZQGWHPGHAH-FQEVSTJZSA-N 2 0 337.467 3.102 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C1 ZINC000093963679 1292939268 /nfs/dbraw/zinc/93/92/68/1292939268.db2.gz DCEUKKRCMSPUBX-OAHLLOKOSA-N 2 0 332.517 3.359 20 0 EGADRP Cc1ccc(O)c(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000103344556 1293003231 /nfs/dbraw/zinc/00/32/31/1293003231.db2.gz HZNXUJNSFGZILS-UHFFFAOYSA-N 2 0 331.485 3.159 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000105442259 1293035837 /nfs/dbraw/zinc/03/58/37/1293035837.db2.gz RFHIVNNLVFHLCL-AWEZNQCLSA-N 2 0 344.330 3.357 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000105451556 1293036507 /nfs/dbraw/zinc/03/65/07/1293036507.db2.gz JNMUTYQJXYADFN-UHFFFAOYSA-N 2 0 344.330 3.357 20 0 EGADRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000108428577 1293081289 /nfs/dbraw/zinc/08/12/89/1293081289.db2.gz LNDTZUBYTHSWNN-OAHLLOKOSA-N 2 0 338.455 3.265 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000110039449 1293092988 /nfs/dbraw/zinc/09/29/88/1293092988.db2.gz LGMDKXCKXIDSCO-UHFFFAOYSA-N 2 0 345.531 3.279 20 0 EGADRP CCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000112096442 1293117733 /nfs/dbraw/zinc/11/77/33/1293117733.db2.gz IJIQNFKLUTUCDD-KRWDZBQOSA-N 2 0 326.488 3.425 20 0 EGADRP Cc1ccc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000116916738 1293210836 /nfs/dbraw/zinc/21/08/36/1293210836.db2.gz JBEWUNCDPOFWNU-UHFFFAOYSA-N 2 0 342.458 3.381 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000121809543 1293391744 /nfs/dbraw/zinc/39/17/44/1293391744.db2.gz VIIKYKQXYKILDC-HOTGVXAUSA-N 2 0 344.503 3.353 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122002754 1293399435 /nfs/dbraw/zinc/39/94/35/1293399435.db2.gz FOIDAWWCMAQZRN-SJORKVTESA-N 2 0 339.524 3.144 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000124046958 1293464741 /nfs/dbraw/zinc/46/47/41/1293464741.db2.gz ZOXFFKWCFNWJES-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000150975131 1293900814 /nfs/dbraw/zinc/90/08/14/1293900814.db2.gz XTEONLDGQIZZCG-QGZVFWFLSA-N 2 0 330.472 3.295 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000150989215 1293901785 /nfs/dbraw/zinc/90/17/85/1293901785.db2.gz HGVWFXUWERDYPS-CYBMUJFWSA-N 2 0 347.272 3.035 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000151001563 1293902876 /nfs/dbraw/zinc/90/28/76/1293902876.db2.gz ANSPXPSCYUXEFU-CYBMUJFWSA-N 2 0 339.530 3.318 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152908909 1293989830 /nfs/dbraw/zinc/98/98/30/1293989830.db2.gz OTCPVKAKKMMORB-XLIONFOSSA-N 2 0 345.531 3.078 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000153800032 1294029550 /nfs/dbraw/zinc/02/95/50/1294029550.db2.gz FNYGZXXUNLLQHL-OXJNMPFZSA-N 2 0 328.456 3.011 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000160129899 1294259099 /nfs/dbraw/zinc/25/90/99/1294259099.db2.gz LNJOGVLOLIVTDL-MRXNPFEDSA-N 2 0 326.488 3.393 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000161475669 1294294238 /nfs/dbraw/zinc/29/42/38/1294294238.db2.gz PONQFZWKSWRJNS-ZBEGNZNMSA-N 2 0 331.287 3.347 20 0 EGADRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179435697 1294793859 /nfs/dbraw/zinc/79/38/59/1294793859.db2.gz DKTMXPQIFBURLB-IBGZPJMESA-N 2 0 349.482 3.120 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000180013825 1294852101 /nfs/dbraw/zinc/85/21/01/1294852101.db2.gz VHOBPZRHKVWURE-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCCN2C)ccc1OC ZINC000182611270 1295063183 /nfs/dbraw/zinc/06/31/83/1295063183.db2.gz TZIIMKSKZYQELE-QFBILLFUSA-N 2 0 333.520 3.282 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cnn(C)c2C)ccc1OC ZINC000183398744 1295117279 /nfs/dbraw/zinc/11/72/79/1295117279.db2.gz XGEDOIMHFXCRQD-OAHLLOKOSA-N 2 0 344.503 3.430 20 0 EGADRP CCN1CCCC[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183507029 1295125586 /nfs/dbraw/zinc/12/55/86/1295125586.db2.gz MMVBGOYRGOFTTA-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2(CO)CCC2)ccc1OC ZINC000184525303 1295199186 /nfs/dbraw/zinc/19/91/86/1295199186.db2.gz RLZKRFSYJLZCCL-INIZCTEOSA-N 2 0 334.504 3.350 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)nc3)cc2)C[C@H](C)O1 ZINC000188980491 1295493466 /nfs/dbraw/zinc/49/34/66/1295493466.db2.gz PJQJDNYYEYAXGI-IYBDPMFKSA-N 2 0 343.446 3.120 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192173446 1295738700 /nfs/dbraw/zinc/73/87/00/1295738700.db2.gz KKOAGLBPVNOWJZ-GOSISDBHSA-N 2 0 336.520 3.306 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CC[NH2+]CC2CC2)c2cccs2)CC1 ZINC000870853761 1296113871 /nfs/dbraw/zinc/11/38/71/1296113871.db2.gz BUSWOZGGVUUQIP-QGZVFWFLSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870867415 1296121302 /nfs/dbraw/zinc/12/13/02/1296121302.db2.gz LMPVOGAPJABUPS-HLIPFELVSA-N 2 0 343.515 3.195 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000222952625 1296131481 /nfs/dbraw/zinc/13/14/81/1296131481.db2.gz TUNPFEGACJEFBO-CYZMBNFOSA-N 2 0 327.266 3.378 20 0 EGADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000871018590 1296179170 /nfs/dbraw/zinc/17/91/70/1296179170.db2.gz CDUCSADVPMECIW-HSALFYBXSA-N 2 0 343.515 3.017 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000236824349 1296205223 /nfs/dbraw/zinc/20/52/23/1296205223.db2.gz QDKGYLRJYBMREZ-SFHVURJKSA-N 2 0 325.456 3.092 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc(Cl)c1OC ZINC000236857338 1296207793 /nfs/dbraw/zinc/20/77/93/1296207793.db2.gz VTNLROFYNJAYGV-CYBMUJFWSA-N 2 0 338.879 3.321 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237508440 1296248118 /nfs/dbraw/zinc/24/81/18/1296248118.db2.gz CFDIREJCBYJDQM-DLBZAZTESA-N 2 0 339.524 3.240 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245942176 1296332863 /nfs/dbraw/zinc/33/28/63/1296332863.db2.gz JZHGMTXZBHPSPH-NXOAAHMSSA-N 2 0 339.524 3.142 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262029342 1296617591 /nfs/dbraw/zinc/61/75/91/1296617591.db2.gz NVWZXSHNFZQZSN-UHFFFAOYSA-N 2 0 338.499 3.124 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000305374091 1297012603 /nfs/dbraw/zinc/01/26/03/1297012603.db2.gz SVQURIBDPWXVCZ-UHFFFAOYSA-N 2 0 346.421 3.211 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000309939998 1297081037 /nfs/dbraw/zinc/08/10/37/1297081037.db2.gz FAWJPLYHDOZLEW-IAGOWNOFSA-N 2 0 339.524 3.288 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000311181315 1297106731 /nfs/dbraw/zinc/10/67/31/1297106731.db2.gz YTYWSOKWNXRMLL-UZLBHIALSA-N 2 0 346.421 3.110 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC000322100342 1297188103 /nfs/dbraw/zinc/18/81/03/1297188103.db2.gz JBLAWHQCBVZCQL-WKILWMFISA-N 2 0 339.524 3.285 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000873079483 1297262387 /nfs/dbraw/zinc/26/23/87/1297262387.db2.gz FWVMGDXNWHPOGP-LEWJYISDSA-N 2 0 339.483 3.092 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H](O)c1ccccc1 ZINC000873193594 1297338756 /nfs/dbraw/zinc/33/87/56/1297338756.db2.gz MFAHHLFIGXBMJJ-NHCUHLMSSA-N 2 0 342.483 3.229 20 0 EGADRP c1c(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873212310 1297355642 /nfs/dbraw/zinc/35/56/42/1297355642.db2.gz ZLUZNUNXOIQSFE-OAHLLOKOSA-N 2 0 327.497 3.010 20 0 EGADRP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000873232651 1297375223 /nfs/dbraw/zinc/37/52/23/1297375223.db2.gz UTCRAKYQYFPWIL-JJRVBVJISA-N 2 0 337.533 3.316 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1C[NH+]1CCCCC1 ZINC000873257822 1297392562 /nfs/dbraw/zinc/39/25/62/1297392562.db2.gz UZCYJOROJBEFMH-GPMSIDNRSA-N 3 0 331.504 3.069 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000873260187 1297395388 /nfs/dbraw/zinc/39/53/88/1297395388.db2.gz UTRAZIISIQOZGM-BVJIBDCISA-N 2 0 327.516 3.160 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(N)cc(F)c1 ZINC000873287420 1297409909 /nfs/dbraw/zinc/40/99/09/1297409909.db2.gz DWODSRKVVNEFCS-FOIQADDNSA-N 2 0 327.447 3.408 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1C ZINC000873293782 1297415388 /nfs/dbraw/zinc/41/53/88/1297415388.db2.gz PDOYLXPPIDKENG-SJORKVTESA-N 2 0 332.488 3.121 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000378888553 1297523813 /nfs/dbraw/zinc/52/38/13/1297523813.db2.gz NWSVFWGOEWNRIP-UHFFFAOYSA-N 2 0 346.906 3.004 20 0 EGADRP C[C@H](CC[NH2+]C[C@H](O)c1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379635191 1297536433 /nfs/dbraw/zinc/53/64/33/1297536433.db2.gz QLMUNTVGXLWJGF-UZLBHIALSA-N 2 0 330.447 3.359 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000386282645 1297589558 /nfs/dbraw/zinc/58/95/58/1297589558.db2.gz BFFVJYWWGAYVQN-CVEARBPZSA-N 2 0 340.471 3.348 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000393961008 1297674100 /nfs/dbraw/zinc/67/41/00/1297674100.db2.gz RISOZSRFWNXTLL-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444800270 1297861499 /nfs/dbraw/zinc/86/14/99/1297861499.db2.gz JAKSFNONBJBDAB-CHWSQXEVSA-N 2 0 343.456 3.472 20 0 EGADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000713058165 1298267215 /nfs/dbraw/zinc/26/72/15/1298267215.db2.gz KQDKGKTYRAWMAG-IEBWSBKVSA-N 2 0 345.531 3.119 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000717502645 1298302237 /nfs/dbraw/zinc/30/22/37/1298302237.db2.gz MIPLWSNDNBFEHA-LJQANCHMSA-N 2 0 345.531 3.121 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000717505568 1298303067 /nfs/dbraw/zinc/30/30/67/1298303067.db2.gz YZBYHVIQGQAEJY-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H](C(=O)NCCCCCCC[NH+]1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000746884162 1298680668 /nfs/dbraw/zinc/68/06/68/1298680668.db2.gz DSTISHKPEUPERP-GUDVDZBRSA-N 2 0 337.552 3.410 20 0 EGADRP CCOC(=O)N1CCC(C)(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)CC1 ZINC000876760049 1298966060 /nfs/dbraw/zinc/96/60/60/1298966060.db2.gz RUCVAWYFIVZARD-IAGOWNOFSA-N 2 0 339.524 3.050 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876775160 1298977279 /nfs/dbraw/zinc/97/72/79/1298977279.db2.gz PMRONLMSOTTYTF-MRXNPFEDSA-N 2 0 341.540 3.201 20 0 EGADRP C[NH+]1CCC2(CCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000877192568 1299201085 /nfs/dbraw/zinc/20/10/85/1299201085.db2.gz OGBIHGSKBLTTKO-GOSISDBHSA-N 2 0 343.515 3.047 20 0 EGADRP [NH3+][C@H](CC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)c1ccccc1 ZINC000877452842 1299311762 /nfs/dbraw/zinc/31/17/62/1299311762.db2.gz SITDZTTUVMXKBR-PWIZWCRZSA-N 2 0 343.515 3.223 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000877683412 1299476422 /nfs/dbraw/zinc/47/64/22/1299476422.db2.gz AQBCADILUTVVOQ-IBGZPJMESA-N 2 0 327.516 3.321 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1occc1Br)CC2 ZINC000877684105 1299477924 /nfs/dbraw/zinc/47/79/24/1299477924.db2.gz GKRPRLLNVQZACN-UHFFFAOYSA-N 2 0 327.266 3.350 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)o1 ZINC000877697017 1299487568 /nfs/dbraw/zinc/48/75/68/1299487568.db2.gz FNBSPMJCVZMTPL-VOTSOKGWSA-N 2 0 334.460 3.066 20 0 EGADRP CC[NH+]1CCN(c2ccc(NC3CC[NH+](C4CC4)CC3)cc2F)CC1 ZINC000877766433 1299541705 /nfs/dbraw/zinc/54/17/05/1299541705.db2.gz BJBDNBXRWKAENQ-UHFFFAOYSA-N 2 0 346.494 3.006 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000878445169 1300008790 /nfs/dbraw/zinc/00/87/90/1300008790.db2.gz DVIVIRWYZLIJQO-MISYRCLQSA-N 2 0 328.500 3.446 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)CCO2 ZINC000878769260 1300183572 /nfs/dbraw/zinc/18/35/72/1300183572.db2.gz NQJUPSMIQJNOEF-UXHICEINSA-N 2 0 344.499 3.093 20 0 EGADRP C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249148 1300452896 /nfs/dbraw/zinc/45/28/96/1300452896.db2.gz GRLLQYIBZGPIIH-HNNXBMFYSA-N 2 0 340.471 3.204 20 0 EGADRP COc1cc(C[NH+]2CC[C@@H](CF)C2)cc(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880299518 1301037340 /nfs/dbraw/zinc/03/73/40/1301037340.db2.gz HYMCNVHPDOLESU-IYBDPMFKSA-N 2 0 338.442 3.278 20 0 EGADRP FC[C@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@H](CF)C3)ccc2F)C1 ZINC000880300159 1301038638 /nfs/dbraw/zinc/03/86/38/1301038638.db2.gz OVAWPMJTIUPVLQ-HZPDHXFCSA-N 2 0 326.406 3.409 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H]3CN(CC[NH+]4CCCC4)CC[C@H]32)cc1 ZINC000760848141 1301350459 /nfs/dbraw/zinc/35/04/59/1301350459.db2.gz SNRCKPQJDSHCJM-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882893279 1302151938 /nfs/dbraw/zinc/15/19/38/1302151938.db2.gz PUBMOBRPHKMVKU-GASCZTMLSA-N 2 0 332.444 3.234 20 0 EGADRP COc1ccc2c(NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]c2c1 ZINC000765457013 1302267104 /nfs/dbraw/zinc/26/71/04/1302267104.db2.gz WLRHGICSUFXPNK-MRXNPFEDSA-N 2 0 329.444 3.012 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCc2ccccc2Br)CC1 ZINC000883424226 1302440068 /nfs/dbraw/zinc/44/00/68/1302440068.db2.gz LCARBHMFMHPNBG-UHFFFAOYSA-N 2 0 325.294 3.313 20 0 EGADRP Cc1nocc1C[NH+](C)[C@H]1CC[C@H]([N@H+](C)Cc2conc2C)CC1 ZINC000886387141 1303454492 /nfs/dbraw/zinc/45/44/92/1303454492.db2.gz VCYCGTNXNDSELE-IYARVYRRSA-N 2 0 332.448 3.154 20 0 EGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(=O)NCc1ccccc1 ZINC000886514798 1303483465 /nfs/dbraw/zinc/48/34/65/1303483465.db2.gz ZSLBDWBXKQSRPS-OCDPCBSRSA-N 2 0 343.515 3.078 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000886606956 1303521039 /nfs/dbraw/zinc/52/10/39/1303521039.db2.gz IWFKUKNCZJRGJC-QYZOEREBSA-N 2 0 344.499 3.218 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)ccc1OC ZINC000775386691 1303952120 /nfs/dbraw/zinc/95/21/20/1303952120.db2.gz SWQXCHZQEYFYRM-VQIMIIECSA-N 2 0 345.531 3.424 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CC2)cc1C[NH+]1CCCCC1 ZINC000775409702 1303959181 /nfs/dbraw/zinc/95/91/81/1303959181.db2.gz GIDSZVNURWWITI-UZLBHIALSA-N 2 0 346.515 3.493 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C[C@@](C)(C4CCCC4)CC3=O)C2)CC1 ZINC000780438538 1304692168 /nfs/dbraw/zinc/69/21/68/1304692168.db2.gz PBKAOKODOKORKK-NQIIRXRSSA-N 2 0 347.547 3.036 20 0 EGADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000892032893 1305232023 /nfs/dbraw/zinc/23/20/23/1305232023.db2.gz ACPSNOBJHLABQD-GOSISDBHSA-N 2 0 347.503 3.095 20 0 EGADRP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000892131103 1305260794 /nfs/dbraw/zinc/26/07/94/1305260794.db2.gz UTERKKKDTNMDBQ-UHFFFAOYSA-N 2 0 348.535 3.158 20 0 EGADRP CC[NH+](CC)CCOc1cc(NCC2CC[NH+](C)CC2)ccc1OC ZINC000892348096 1305327368 /nfs/dbraw/zinc/32/73/68/1305327368.db2.gz JLJJLRBLHHFRRI-UHFFFAOYSA-N 2 0 349.519 3.170 20 0 EGADRP Cn1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(C2CC2)n1 ZINC000892753628 1305540519 /nfs/dbraw/zinc/54/05/19/1305540519.db2.gz XJQDNDIBGANFFJ-UHFFFAOYSA-N 2 0 344.528 3.361 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000893368380 1305851742 /nfs/dbraw/zinc/85/17/42/1305851742.db2.gz WIXSAJVRFGRTAM-IBGZPJMESA-N 2 0 333.520 3.123 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000893488112 1305920473 /nfs/dbraw/zinc/92/04/73/1305920473.db2.gz RKBCVJDAGITBPX-FPOVZHCZSA-N 2 0 336.479 3.073 20 0 EGADRP CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000788982425 1306057934 /nfs/dbraw/zinc/05/79/34/1306057934.db2.gz IAJNFVMHCUYGHQ-HZPDHXFCSA-N 2 0 349.519 3.054 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(O)c(F)c3)cc2)CC1 ZINC000894300947 1306329923 /nfs/dbraw/zinc/32/99/23/1306329923.db2.gz LFWRNGMOWPTALO-UHFFFAOYSA-N 2 0 344.430 3.294 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccnc2c(Br)cccc12)[NH+](C)C ZINC000895293528 1309273618 /nfs/dbraw/zinc/27/36/18/1309273618.db2.gz MYNXKPHCKPAUNF-GFCCVEGCSA-N 2 0 336.277 3.427 20 0 EGADRP C[C@H](c1ccccc1)N1CCN(Cc2ncc(CN(C)C)s2)CC1 ZINC000895553091 1309397558 /nfs/dbraw/zinc/39/75/58/1309397558.db2.gz XNDUTLJTEXRCOY-MRXNPFEDSA-N 2 0 344.528 3.084 20 0 EGADRP COC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000895853451 1309562983 /nfs/dbraw/zinc/56/29/83/1309562983.db2.gz NSFUONRMFGNQML-INIZCTEOSA-N 2 0 341.293 3.068 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897537306 1310368206 /nfs/dbraw/zinc/36/82/06/1310368206.db2.gz SHUSMVYMZQSHLV-VMXMFDLUSA-N 2 0 330.516 3.428 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000898611942 1310803044 /nfs/dbraw/zinc/80/30/44/1310803044.db2.gz YNZCMYMYWSXRCC-JIZBTBOESA-N 2 0 336.520 3.351 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CC[NH+](C(C)(C)C)C3)c2)C1 ZINC000857303680 1328527208 /nfs/dbraw/zinc/52/72/08/1328527208.db2.gz KUYOYEHQEOSONX-RBUKOAKNSA-N 2 0 343.515 3.098 20 0 EGADRP CC(C)(CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[NH+]1CCCCC1 ZINC000929350884 1328577238 /nfs/dbraw/zinc/57/72/38/1328577238.db2.gz XQLDISMBZIPOFH-UHFFFAOYSA-N 2 0 347.503 3.260 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001018931866 1316978874 /nfs/dbraw/zinc/97/88/74/1316978874.db2.gz OLJNYOBCPCASKX-INIZCTEOSA-N 2 0 349.544 3.050 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001018961484 1316987274 /nfs/dbraw/zinc/98/72/74/1316987274.db2.gz HDOCECLNTJVFJL-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001018971661 1316991200 /nfs/dbraw/zinc/99/12/00/1316991200.db2.gz MYMKRELIYPXXRE-MSOLQXFVSA-N 2 0 343.515 3.039 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001018999090 1316998535 /nfs/dbraw/zinc/99/85/35/1316998535.db2.gz GEHCZBSFXPJMHZ-FHWLQOOXSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001019094931 1317041752 /nfs/dbraw/zinc/04/17/52/1317041752.db2.gz TVARZQLTKYYFCF-ICSRJNTNSA-N 2 0 348.450 3.290 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001019231961 1317114981 /nfs/dbraw/zinc/11/49/81/1317114981.db2.gz BGEQXCFPOXKDOM-MJGOQNOKSA-N 2 0 343.515 3.121 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H](C)CC)C1 ZINC000957113861 1317195154 /nfs/dbraw/zinc/19/51/54/1317195154.db2.gz ULCUVSAQCDJJJJ-HKUYNNGSSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001019465363 1317260712 /nfs/dbraw/zinc/26/07/12/1317260712.db2.gz BILQREXOSZYHJW-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957568275 1317465593 /nfs/dbraw/zinc/46/55/93/1317465593.db2.gz GORLODSPNLRSTR-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CC(C)C1)CC2)[NH+](C)C ZINC000957605853 1317492713 /nfs/dbraw/zinc/49/27/13/1317492713.db2.gz MRKHXZDXCHKCSJ-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621117 1317501931 /nfs/dbraw/zinc/50/19/31/1317501931.db2.gz YZWNDCDDJPNSDO-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647430 1317518523 /nfs/dbraw/zinc/51/85/23/1317518523.db2.gz HRRKCPCNLZUWTR-KDURUIRLSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957647771 1317519463 /nfs/dbraw/zinc/51/94/63/1317519463.db2.gz VPSFXOVEYHLPKW-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902336301 1317565100 /nfs/dbraw/zinc/56/51/00/1317565100.db2.gz XJUJVWBDLNDFLW-SFHVURJKSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000902348421 1317566392 /nfs/dbraw/zinc/56/63/92/1317566392.db2.gz LVPQGIZOFACDIE-MRXNPFEDSA-N 2 0 330.451 3.188 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000902396836 1317573315 /nfs/dbraw/zinc/57/33/15/1317573315.db2.gz HBYLWARRADUKRP-IPMKNSEASA-N 2 0 343.515 3.095 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@H](C)c2c[nH+]ccc2N)c1 ZINC000902528940 1317588885 /nfs/dbraw/zinc/58/88/85/1317588885.db2.gz UCBVZTAYCYVNJW-OAHLLOKOSA-N 2 0 328.460 3.388 20 0 EGADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000902789614 1317616627 /nfs/dbraw/zinc/61/66/27/1317616627.db2.gz LJCIHLGJBLESHS-QHAWAJNXSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001020297764 1317633892 /nfs/dbraw/zinc/63/38/92/1317633892.db2.gz YKHRHIYYNQAUFJ-XSWJXKHESA-N 2 0 349.906 3.122 20 0 EGADRP CC[N@H+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000957776362 1317639738 /nfs/dbraw/zinc/63/97/38/1317639738.db2.gz HTVBRXUYOPBRPR-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000903050130 1317642406 /nfs/dbraw/zinc/64/24/06/1317642406.db2.gz RLKWDWKJNKRTNJ-PMACEKPBSA-N 2 0 331.504 3.231 20 0 EGADRP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(F)cc1 ZINC000903071701 1317647431 /nfs/dbraw/zinc/64/74/31/1317647431.db2.gz AFSYPYCBOZBQTR-QZNYNHHHSA-N 2 0 331.479 3.176 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903084296 1317649622 /nfs/dbraw/zinc/64/96/22/1317649622.db2.gz WVVSOVGYKXZWKH-NMACRGETSA-N 2 0 342.483 3.484 20 0 EGADRP COc1cccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)c1 ZINC000903089021 1317650474 /nfs/dbraw/zinc/65/04/74/1317650474.db2.gz OBWPHNZBDWDACM-SYKANANRSA-N 2 0 341.499 3.021 20 0 EGADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903115210 1317655758 /nfs/dbraw/zinc/65/57/58/1317655758.db2.gz ASUKCPBEOFNRPL-XEOJFFABSA-N 2 0 346.515 3.134 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903120255 1317657043 /nfs/dbraw/zinc/65/70/43/1317657043.db2.gz VSZKOEXTAILHJX-ZPAWYTMASA-N 2 0 328.500 3.052 20 0 EGADRP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000903119717 1317657159 /nfs/dbraw/zinc/65/71/59/1317657159.db2.gz JVIOIGSRSIABQB-CIJNOWTPSA-N 2 0 334.504 3.362 20 0 EGADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903119875 1317657403 /nfs/dbraw/zinc/65/74/03/1317657403.db2.gz UKNDAXXSAXNXOR-XEOJFFABSA-N 2 0 346.515 3.216 20 0 EGADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000903153659 1317663932 /nfs/dbraw/zinc/66/39/32/1317663932.db2.gz UPJHWRIEOFKITG-AZQUWAFASA-N 2 0 327.516 3.425 20 0 EGADRP COCCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903174004 1317668326 /nfs/dbraw/zinc/66/83/26/1317668326.db2.gz BIZDJRKICPWXBX-VCSGRIEYSA-N 2 0 344.499 3.097 20 0 EGADRP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(=O)OC(C)(C)C ZINC000903197436 1317671559 /nfs/dbraw/zinc/67/15/59/1317671559.db2.gz YUTXNMGCTVCMIY-NXCDMZCRSA-N 2 0 336.520 3.348 20 0 EGADRP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000903404821 1317696468 /nfs/dbraw/zinc/69/64/68/1317696468.db2.gz ADPGABBSYGSIGF-JSXRDJHFSA-N 2 0 328.500 3.180 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001020464078 1317708608 /nfs/dbraw/zinc/70/86/08/1317708608.db2.gz XMNXAJWXAUBNAD-BZSNNMDCSA-N 2 0 343.515 3.167 20 0 EGADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725834 1317726313 /nfs/dbraw/zinc/72/63/13/1317726313.db2.gz IBPIAFISOCHWII-WOZUAGRISA-N 2 0 328.500 3.413 20 0 EGADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733247 1317726662 /nfs/dbraw/zinc/72/66/62/1317726662.db2.gz JCRFTFCDNWNCRJ-SUMDDJOVSA-N 2 0 332.463 3.162 20 0 EGADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735422 1317727985 /nfs/dbraw/zinc/72/79/85/1317727985.db2.gz ZUIKXTLTQZBGEH-MISYRCLQSA-N 2 0 328.500 3.098 20 0 EGADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903755407 1317729245 /nfs/dbraw/zinc/72/92/45/1317729245.db2.gz GQNQZDPABFCICX-GOEBONIOSA-N 2 0 349.544 3.173 20 0 EGADRP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](C[C@H]4CCCC[NH2+]C4)C3)n2)cc1 ZINC000903755474 1317729703 /nfs/dbraw/zinc/72/97/03/1317729703.db2.gz HUGYZILFMCLFGN-FUHWJXTLSA-N 2 0 339.487 3.041 20 0 EGADRP O=C(Nc1ccc(F)cc1)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904216 1317746678 /nfs/dbraw/zinc/74/66/78/1317746678.db2.gz RVSKYHCFJWHNNO-WUUXGELPSA-N 2 0 345.462 3.007 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H]([NH3+])CC(F)F ZINC000903921107 1317748633 /nfs/dbraw/zinc/74/86/33/1317748633.db2.gz NAUHTVKNFGKBPK-RHSMWYFYSA-N 3 0 325.447 3.133 20 0 EGADRP COc1ccc(CCC[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC000903926018 1317750838 /nfs/dbraw/zinc/75/08/38/1317750838.db2.gz RDMFNZQRIJEAEA-UHFFFAOYSA-N 2 0 340.467 3.072 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC(C)(C)[NH3+] ZINC000903940059 1317751808 /nfs/dbraw/zinc/75/18/08/1317751808.db2.gz UZMCOIZYLSXTME-NSHDSACASA-N 2 0 331.382 3.140 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)s2)cn1 ZINC000903959791 1317757601 /nfs/dbraw/zinc/75/76/01/1317757601.db2.gz OKCSENUZCKAELR-GOSISDBHSA-N 2 0 330.501 3.114 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)s2)cn1 ZINC000903959792 1317757946 /nfs/dbraw/zinc/75/79/46/1317757946.db2.gz OKCSENUZCKAELR-SFHVURJKSA-N 2 0 330.501 3.114 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326398 1317831552 /nfs/dbraw/zinc/83/15/52/1317831552.db2.gz ITGODPMGKAJRHA-LEWJYISDSA-N 2 0 329.532 3.220 20 0 EGADRP CCN(Cc1ncc(CN(C)C)s1)C[C@@H](O)c1ccc(C)cc1 ZINC000809581528 1317837096 /nfs/dbraw/zinc/83/70/96/1317837096.db2.gz LYZHRGYYJPCZKK-QGZVFWFLSA-N 2 0 333.501 3.069 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1OCc1ccccc1 ZINC000904404695 1317843195 /nfs/dbraw/zinc/84/31/95/1317843195.db2.gz CWQRVHKDHZRLGL-QGZVFWFLSA-N 2 0 340.467 3.445 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405799 1317843263 /nfs/dbraw/zinc/84/32/63/1317843263.db2.gz PTLNHSGAKVVTRH-KRWDZBQOSA-N 2 0 346.906 3.372 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000904404678 1317843748 /nfs/dbraw/zinc/84/37/48/1317843748.db2.gz CKNUVYRYBSEJOZ-QGZVFWFLSA-N 2 0 338.499 3.396 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)n2c1 ZINC000904458670 1317850913 /nfs/dbraw/zinc/85/09/13/1317850913.db2.gz DXWUDGPDACASIW-UHFFFAOYSA-N 2 0 334.467 3.135 20 0 EGADRP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474830 1317851872 /nfs/dbraw/zinc/85/18/72/1317851872.db2.gz LIRNKJYTNOSPNR-ICSRJNTNSA-N 2 0 326.415 3.480 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020675855 1317852748 /nfs/dbraw/zinc/85/27/48/1317852748.db2.gz HVUJCFGIVKKFKF-VAMGGRTRSA-N 2 0 347.547 3.377 20 0 EGADRP CC(C)(C)[C@H]([NH3+])Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904576841 1317865254 /nfs/dbraw/zinc/86/52/54/1317865254.db2.gz MWFUKXSHKINLRV-MRXNPFEDSA-N 2 0 328.460 3.248 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001020719592 1317885631 /nfs/dbraw/zinc/88/56/31/1317885631.db2.gz MUAOQQUTKOJGDC-UAFMIMERSA-N 2 0 347.547 3.211 20 0 EGADRP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000905095268 1317922912 /nfs/dbraw/zinc/92/29/12/1317922912.db2.gz DCQKWNSPQGCOGA-RBBKRZOGSA-N 2 0 338.495 3.183 20 0 EGADRP C[C@](O)(C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(F)F ZINC000905110835 1317924182 /nfs/dbraw/zinc/92/41/82/1317924182.db2.gz RNHGQCVEFLPAIB-SFHVURJKSA-N 2 0 326.431 3.168 20 0 EGADRP CC(C)(C)C1CCC(C[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001021045454 1318059340 /nfs/dbraw/zinc/05/93/40/1318059340.db2.gz DYBARIIKNCXMHS-NZKYNAJMSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C(C)(C)C)CC3)C2)C1 ZINC001021044462 1318060297 /nfs/dbraw/zinc/06/02/97/1318060297.db2.gz NZIXQQXKDIJRNL-ZBABMDLNSA-N 2 0 349.563 3.027 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021302018 1318177905 /nfs/dbraw/zinc/17/79/05/1318177905.db2.gz GEAMRKVXQKIISO-FBVQUNGASA-N 2 0 335.536 3.019 20 0 EGADRP CN(C)Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1Cl ZINC000907907346 1318278192 /nfs/dbraw/zinc/27/81/92/1318278192.db2.gz BKNHWWNFHZCCAD-WBVHZDCISA-N 2 0 335.879 3.357 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)o1 ZINC000908573446 1318367052 /nfs/dbraw/zinc/36/70/52/1318367052.db2.gz KTACVWITKOROBU-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637264 1318493664 /nfs/dbraw/zinc/49/36/64/1318493664.db2.gz ZUNMUYMAIYMASB-QFBILLFUSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021690190 1318565139 /nfs/dbraw/zinc/56/51/39/1318565139.db2.gz GQIMRLSEOZXGRC-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC)CC[C@@H]32)o1 ZINC001021741977 1318651613 /nfs/dbraw/zinc/65/16/13/1318651613.db2.gz BDANEMDETHTRMA-WMZOPIPTSA-N 2 0 347.503 3.068 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000960644925 1318763261 /nfs/dbraw/zinc/76/32/61/1318763261.db2.gz WWVZEWJQQFHRHD-ACBHZAAOSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960663579 1318781180 /nfs/dbraw/zinc/78/11/80/1318781180.db2.gz IBPKVONHMGXHBP-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)C[NH+](C)C2CCC2)CC1 ZINC000960666695 1318784438 /nfs/dbraw/zinc/78/44/38/1318784438.db2.gz DVRLKZYEBHCJCS-QLOJAFMTSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCC1 ZINC001022081564 1318792897 /nfs/dbraw/zinc/79/28/97/1318792897.db2.gz IPFWSIWRGGUWQL-HDICACEKSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1C)[NH+](C)C ZINC000960706484 1318809379 /nfs/dbraw/zinc/80/93/79/1318809379.db2.gz FTXSNRWUJFDQSH-VQTJNVASSA-N 2 0 345.531 3.066 20 0 EGADRP C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000960754101 1318854875 /nfs/dbraw/zinc/85/48/75/1318854875.db2.gz QNSSRRJNUJOKBH-FQEVSTJZSA-N 2 0 348.450 3.071 20 0 EGADRP CCc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)cc1 ZINC000960868642 1319012345 /nfs/dbraw/zinc/01/23/45/1319012345.db2.gz KTAFXPDFRMAQLM-PMACEKPBSA-N 2 0 345.531 3.012 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815560559 1319016473 /nfs/dbraw/zinc/01/64/73/1319016473.db2.gz KHRQAWDTPQTHNQ-IEZWGBDMSA-N 2 0 343.471 3.311 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960903858 1319046431 /nfs/dbraw/zinc/04/64/31/1319046431.db2.gz DPBVGOATVJJHGJ-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)c1nccn1CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960911923 1319057371 /nfs/dbraw/zinc/05/73/71/1319057371.db2.gz AKCFKQBQSOEOBP-GOSISDBHSA-N 2 0 346.519 3.120 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022807676 1319118779 /nfs/dbraw/zinc/11/87/79/1319118779.db2.gz KKWUIJAMYGBVSJ-CEXWTWQISA-N 2 0 335.536 3.066 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000961033353 1319156956 /nfs/dbraw/zinc/15/69/56/1319156956.db2.gz ZDHUEVJIXAXPHV-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022975519 1319198561 /nfs/dbraw/zinc/19/85/61/1319198561.db2.gz NPAKPOFWZYTJPX-YSTOQKLRSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224787 1319351320 /nfs/dbraw/zinc/35/13/20/1319351320.db2.gz FCFUIQHORBQAKN-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001023274260 1319407881 /nfs/dbraw/zinc/40/78/81/1319407881.db2.gz WPEUNVAZZVLTOU-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc(=O)oc2c1C ZINC000817880547 1319451616 /nfs/dbraw/zinc/45/16/16/1319451616.db2.gz YKYUQMHCANSVHE-VBQJREDUSA-N 2 0 328.456 3.215 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902227 1319454595 /nfs/dbraw/zinc/45/45/95/1319454595.db2.gz LLPLSLZTBWHQQA-RZQQEMMASA-N 2 0 328.456 3.014 20 0 EGADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000817897731 1319455808 /nfs/dbraw/zinc/45/58/08/1319455808.db2.gz WLOVBSIMIJEESZ-OYNPSCLESA-N 2 0 327.516 3.474 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817906196 1319456617 /nfs/dbraw/zinc/45/66/17/1319456617.db2.gz YARBUPCUFZZXCD-SZNDQCEHSA-N 2 0 335.451 3.386 20 0 EGADRP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c21 ZINC000817920744 1319462038 /nfs/dbraw/zinc/46/20/38/1319462038.db2.gz VJBNXUFOWFIMQT-BRWVUGGUSA-N 2 0 327.472 3.229 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cc(F)cc(Cl)c1 ZINC000817927895 1319463663 /nfs/dbraw/zinc/46/36/63/1319463663.db2.gz SNWXRJXUNQFVNL-YLFCFFPRSA-N 2 0 326.843 3.023 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817946173 1319472026 /nfs/dbraw/zinc/47/20/26/1319472026.db2.gz SYYAFYOKUDTPAE-ROUUACIJSA-N 2 0 345.531 3.331 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817947848 1319473224 /nfs/dbraw/zinc/47/32/24/1319473224.db2.gz CSGQJGNOIHOKFP-HKUYNNGSSA-N 2 0 332.488 3.180 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000817947628 1319473514 /nfs/dbraw/zinc/47/35/14/1319473514.db2.gz DKZYQTDFMHQJOE-AWEZNQCLSA-N 2 0 337.467 3.268 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817969694 1319481423 /nfs/dbraw/zinc/48/14/23/1319481423.db2.gz YBOMEWCXJHROOX-FXAWDEMLSA-N 3 0 345.531 3.474 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1C[NH+]1CCCCC1 ZINC000817977671 1319484260 /nfs/dbraw/zinc/48/42/60/1319484260.db2.gz NQQPHOWMOMYLGM-IAGOWNOFSA-N 3 0 333.520 3.459 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817985592 1319487086 /nfs/dbraw/zinc/48/70/86/1319487086.db2.gz FQPFNAGKNZHHCY-XOYOTBSWSA-N 2 0 343.471 3.072 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023402920 1319509617 /nfs/dbraw/zinc/50/96/17/1319509617.db2.gz WPVPUZKZQQPBPJ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000961368117 1319524036 /nfs/dbraw/zinc/52/40/36/1319524036.db2.gz QRTLIIIPYALFJK-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023457349 1319559324 /nfs/dbraw/zinc/55/93/24/1319559324.db2.gz NMIQHLXHRLNFOE-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469522 1319566609 /nfs/dbraw/zinc/56/66/09/1319566609.db2.gz GYCKOBXWHUTUKT-INIZCTEOSA-N 2 0 342.487 3.212 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961415207 1319570567 /nfs/dbraw/zinc/57/05/67/1319570567.db2.gz IZKSMQOCNIWVRZ-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818984421 1319605058 /nfs/dbraw/zinc/60/50/58/1319605058.db2.gz HBIJUPCSUNIUQI-WMLDXEAASA-N 2 0 344.421 3.449 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819152100 1319649125 /nfs/dbraw/zinc/64/91/25/1319649125.db2.gz LLKJOXLGBJWKHK-PBHICJAKSA-N 2 0 344.421 3.306 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001023554863 1319666844 /nfs/dbraw/zinc/66/68/44/1319666844.db2.gz RLXDDRRYFWZTBL-SXLOBPIMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CCCC1 ZINC000819226095 1319675323 /nfs/dbraw/zinc/67/53/23/1319675323.db2.gz AACMHWBXXDEAOQ-MRXNPFEDSA-N 2 0 344.421 3.450 20 0 EGADRP CC(C)(C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000819259688 1319682135 /nfs/dbraw/zinc/68/21/35/1319682135.db2.gz LMFRKIHVJIPIDD-INIZCTEOSA-N 2 0 328.859 3.224 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819366161 1319710629 /nfs/dbraw/zinc/71/06/29/1319710629.db2.gz KERGONGRZWMHMF-CJNGLKHVSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646640 1319766079 /nfs/dbraw/zinc/76/60/79/1319766079.db2.gz PCQWTOOMSRDBNE-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961907430 1319769172 /nfs/dbraw/zinc/76/91/72/1319769172.db2.gz MLZHWPOMFSWFAQ-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+]CC1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC000962040582 1319805862 /nfs/dbraw/zinc/80/58/62/1319805862.db2.gz SZUGLKIRMUOIBT-LYGPFTKASA-N 2 0 348.450 3.194 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761981 1319907523 /nfs/dbraw/zinc/90/75/23/1319907523.db2.gz OHJICSZAJLZWEQ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000820810783 1319958672 /nfs/dbraw/zinc/95/86/72/1319958672.db2.gz FBNKOWCQJRGJLP-MRXNPFEDSA-N 2 0 339.483 3.001 20 0 EGADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000820814375 1319958979 /nfs/dbraw/zinc/95/89/79/1319958979.db2.gz JIWSEJHBQQBLJS-AZUAARDMSA-N 2 0 331.504 3.219 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000822659187 1320109867 /nfs/dbraw/zinc/10/98/67/1320109867.db2.gz MUHBAGFNECYIAU-PBHICJAKSA-N 2 0 326.444 3.393 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822791570 1320123949 /nfs/dbraw/zinc/12/39/49/1320123949.db2.gz TUWYVWICNLWXSP-OAHLLOKOSA-N 2 0 348.362 3.061 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823630695 1320193530 /nfs/dbraw/zinc/19/35/30/1320193530.db2.gz RYBQXSGADGKAGP-DLBZAZTESA-N 2 0 341.540 3.342 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824081186 1320227110 /nfs/dbraw/zinc/22/71/10/1320227110.db2.gz SVJWJYHEWKHFOK-IAGOWNOFSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@@H]1CCCN1CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824098595 1320229186 /nfs/dbraw/zinc/22/91/86/1320229186.db2.gz MMNVBIYIYOCIQB-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000825326021 1320327450 /nfs/dbraw/zinc/32/74/50/1320327450.db2.gz KWMQWWODMIAVAU-YTQUADARSA-N 2 0 334.504 3.105 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930545564 1328892089 /nfs/dbraw/zinc/89/20/89/1328892089.db2.gz NVKLPEAFJNRPMS-SJORKVTESA-N 2 0 347.503 3.116 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000841304377 1321251403 /nfs/dbraw/zinc/25/14/03/1321251403.db2.gz JYDSAPOKACGTHQ-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP CN(C)C(=O)c1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214214 1328947802 /nfs/dbraw/zinc/94/78/02/1328947802.db2.gz OAAPOXMTBFWRSG-UHFFFAOYSA-N 2 0 339.483 3.082 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211786 1328946845 /nfs/dbraw/zinc/94/68/45/1328946845.db2.gz AGQFKSAEVPGVKU-DYESRHJHSA-N 2 0 326.484 3.345 20 0 EGADRP CC(C)[C@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[C@@H](C)[NH3+] ZINC000841826288 1321320132 /nfs/dbraw/zinc/32/01/32/1321320132.db2.gz GSEKWGQMMHZIGT-PBHICJAKSA-N 2 0 328.460 3.419 20 0 EGADRP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215001 1328948354 /nfs/dbraw/zinc/94/83/54/1328948354.db2.gz WTOSURCVKMTUKI-KSZLIROESA-N 2 0 345.531 3.073 20 0 EGADRP CC[N@H+](Cc1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1)C(C)C ZINC000842665748 1321414754 /nfs/dbraw/zinc/41/47/54/1321414754.db2.gz AFXNZLKUUHMMEH-KRWDZBQOSA-N 2 0 328.460 3.434 20 0 EGADRP C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1CCC([NH3+])CC1 ZINC000843054867 1321463188 /nfs/dbraw/zinc/46/31/88/1321463188.db2.gz LOLSMARTTQBQDJ-UHFFFAOYSA-N 2 0 334.357 3.469 20 0 EGADRP CCCCn1nc(C)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1Cl ZINC000843126601 1321474297 /nfs/dbraw/zinc/47/42/97/1321474297.db2.gz LJMYMLBMOMDLOF-MRXNPFEDSA-N 2 0 338.927 3.467 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@]4(C)CC[NH2+]C4)n3)cc2)CC1 ZINC000843200974 1321486760 /nfs/dbraw/zinc/48/67/60/1321486760.db2.gz UQBVGJYJYVDWBP-HXUWFJFHSA-N 2 0 340.471 3.220 20 0 EGADRP CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354180 1321505150 /nfs/dbraw/zinc/50/51/50/1321505150.db2.gz WEQCFXMHTABHAV-UHFFFAOYSA-N 2 0 325.541 3.109 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000844175115 1321576339 /nfs/dbraw/zinc/57/63/39/1321576339.db2.gz ADDIFACTLVCKFQ-FQEVSTJZSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844699586 1321637962 /nfs/dbraw/zinc/63/79/62/1321637962.db2.gz VOULSIYCRHGIEG-GOSISDBHSA-N 2 0 347.547 3.466 20 0 EGADRP [NH3+]CCCCCC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000846218143 1321777871 /nfs/dbraw/zinc/77/78/71/1321777871.db2.gz LXSSDMNHLJYJMO-UHFFFAOYSA-N 2 0 328.460 3.435 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000962517772 1321982844 /nfs/dbraw/zinc/98/28/44/1321982844.db2.gz GKTCHDMHPSDXQV-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)C1 ZINC000848719189 1322000360 /nfs/dbraw/zinc/00/03/60/1322000360.db2.gz WIKZHEQRWMNTQH-SFHLNBCPSA-N 2 0 340.467 3.159 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)o1 ZINC000848898899 1322036851 /nfs/dbraw/zinc/03/68/51/1322036851.db2.gz ZVRGEGVFWQWURI-VAWYXSNFSA-N 2 0 346.471 3.353 20 0 EGADRP C[C@H]1C[C@H](CCNC(=[NH2+])Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000848989833 1322056671 /nfs/dbraw/zinc/05/66/71/1322056671.db2.gz DVCVZSGGGWNKDH-WMZOPIPTSA-N 2 0 337.471 3.319 20 0 EGADRP [NH2+]=C(NCc1ccsc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849058914 1322061863 /nfs/dbraw/zinc/06/18/63/1322061863.db2.gz TXLZJYTVLURWII-UHFFFAOYSA-N 2 0 328.485 3.027 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000849071420 1322065989 /nfs/dbraw/zinc/06/59/89/1322065989.db2.gz RTMDABAZSDPTSJ-HNNXBMFYSA-N 2 0 348.491 3.295 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000849071421 1322066729 /nfs/dbraw/zinc/06/67/29/1322066729.db2.gz RTMDABAZSDPTSJ-OAHLLOKOSA-N 2 0 348.491 3.295 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083139 1322070778 /nfs/dbraw/zinc/07/07/78/1322070778.db2.gz JQBHHIXDIWBTQF-GFCCVEGCSA-N 2 0 330.354 3.006 20 0 EGADRP C[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[NH+]1CCCCC1 ZINC000849083482 1322070922 /nfs/dbraw/zinc/07/09/22/1322070922.db2.gz VGXWXUARXCGDHB-GFCCVEGCSA-N 2 0 344.381 3.396 20 0 EGADRP CC(C)CCNC(=[NH2+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000849085677 1322073323 /nfs/dbraw/zinc/07/33/23/1322073323.db2.gz VKKVGGVLEAJQEW-LJQANCHMSA-N 2 0 330.520 3.449 20 0 EGADRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849107712 1322080937 /nfs/dbraw/zinc/08/09/37/1322080937.db2.gz MNHFVIRVTXSFHQ-MAUKXSAKSA-N 2 0 334.508 3.493 20 0 EGADRP COc1cncc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000850227092 1322210299 /nfs/dbraw/zinc/21/02/99/1322210299.db2.gz WRZJBMXKPZKWFU-IEBWSBKVSA-N 2 0 339.483 3.481 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000850423561 1322245096 /nfs/dbraw/zinc/24/50/96/1322245096.db2.gz BTNZEUIAWWUGSK-WWDZGPRUSA-N 2 0 339.524 3.288 20 0 EGADRP C[C@H]([NH2+]CC1SCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000850559636 1322267066 /nfs/dbraw/zinc/26/70/66/1322267066.db2.gz DQINWLFYSUCLBN-ZDUSSCGKSA-N 2 0 326.531 3.084 20 0 EGADRP Cc1nn(C)c(CNCc2ccc(-n3ccnc3C)c(F)c2)c1Cl ZINC000921587683 1322359549 /nfs/dbraw/zinc/35/95/49/1322359549.db2.gz CMQIEXNXJSVEHJ-UHFFFAOYSA-N 2 0 347.825 3.305 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)ccn1 ZINC000922244687 1322486449 /nfs/dbraw/zinc/48/64/49/1322486449.db2.gz XQUDMXCGCNXBPW-PWRODBHTSA-N 2 0 343.515 3.088 20 0 EGADRP CC(C)c1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922388875 1322516291 /nfs/dbraw/zinc/51/62/91/1322516291.db2.gz GRYMFFDEEMUCSN-CGXNFDGLSA-N 2 0 330.516 3.379 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1Cl ZINC000923361258 1322740470 /nfs/dbraw/zinc/74/04/70/1322740470.db2.gz HOIVIPBARUCXCX-HBUWYVDXSA-N 2 0 340.870 3.224 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923490009 1322760788 /nfs/dbraw/zinc/76/07/88/1322760788.db2.gz GTMNHEFITOWQHO-MRXNPFEDSA-N 2 0 332.879 3.064 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000923887167 1322837111 /nfs/dbraw/zinc/83/71/11/1322837111.db2.gz ZKRZKMZLNRMFAS-QGZVFWFLSA-N 2 0 344.459 3.222 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924577188 1323060290 /nfs/dbraw/zinc/06/02/90/1323060290.db2.gz GOIAQACLJLBCRM-UZLBHIALSA-N 2 0 349.494 3.103 20 0 EGADRP CCN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000924582675 1323062403 /nfs/dbraw/zinc/06/24/03/1323062403.db2.gz MYOWBVOXCGCRRT-VCSGRIEYSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001023985488 1323065712 /nfs/dbraw/zinc/06/57/12/1323065712.db2.gz XALXEPATSOWFQC-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000924605001 1323072598 /nfs/dbraw/zinc/07/25/98/1323072598.db2.gz RJOOEKRVUXLZMO-XLIONFOSSA-N 2 0 343.515 3.065 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001024018751 1323080706 /nfs/dbraw/zinc/08/07/06/1323080706.db2.gz SFWOZMFEEUIPMM-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024023701 1323081968 /nfs/dbraw/zinc/08/19/68/1323081968.db2.gz OEOPKHLOSHTGCK-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851813387 1323096832 /nfs/dbraw/zinc/09/68/32/1323096832.db2.gz UXOXRZVUYXKBBF-XLIONFOSSA-N 2 0 331.504 3.092 20 0 EGADRP C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000924669741 1323103991 /nfs/dbraw/zinc/10/39/91/1323103991.db2.gz AZMZKBRRDWLCIJ-CQSZACIVSA-N 2 0 331.426 3.283 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000924678527 1323108317 /nfs/dbraw/zinc/10/83/17/1323108317.db2.gz BRODCOSKEZQBOD-FUHIMQAGSA-N 2 0 343.515 3.208 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851933686 1323117675 /nfs/dbraw/zinc/11/76/75/1323117675.db2.gz TWFDVBLIQRPWMI-ZHALLVOQSA-N 2 0 346.515 3.274 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001024188956 1323200246 /nfs/dbraw/zinc/20/02/46/1323200246.db2.gz SOORHTVVVRYLGW-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000924953125 1323226589 /nfs/dbraw/zinc/22/65/89/1323226589.db2.gz PISBIYBNWAMNGK-HOTGVXAUSA-N 2 0 329.488 3.275 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2nc(Br)ccc2F)CC1 ZINC000924954537 1323227461 /nfs/dbraw/zinc/22/74/61/1323227461.db2.gz JCTPLIJFPXELQN-LLVKDONJSA-N 2 0 344.272 3.366 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2nc(Br)ccc2F)CC1 ZINC000924954539 1323227729 /nfs/dbraw/zinc/22/77/29/1323227729.db2.gz JCTPLIJFPXELQN-NSHDSACASA-N 2 0 344.272 3.366 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000924962169 1323228775 /nfs/dbraw/zinc/22/87/75/1323228775.db2.gz ZSVVSXYSEUDWKZ-SFTDATJTSA-N 2 0 340.515 3.373 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1csc2ccccc21 ZINC000924966348 1323232387 /nfs/dbraw/zinc/23/23/87/1323232387.db2.gz SMALOBFXDJSKDV-LSDHHAIUSA-N 2 0 345.512 3.139 20 0 EGADRP FC(F)(F)c1cccc([C@@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)c1 ZINC000852750019 1323236820 /nfs/dbraw/zinc/23/68/20/1323236820.db2.gz LLRPERUKVGLJLT-GDBMZVCRSA-N 2 0 340.389 3.016 20 0 EGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2cnnc2)c1 ZINC000925085804 1323273036 /nfs/dbraw/zinc/27/30/36/1323273036.db2.gz JPZZCGYDVDWMEV-CRAIPNDOSA-N 2 0 329.492 3.284 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024469227 1323424351 /nfs/dbraw/zinc/42/43/51/1323424351.db2.gz QHJQIMAVDSJXAT-QZTJIDSGSA-N 2 0 349.544 3.093 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024469257 1323424429 /nfs/dbraw/zinc/42/44/29/1323424429.db2.gz QVIHLPFXJWOCJZ-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024522563 1323470942 /nfs/dbraw/zinc/47/09/42/1323470942.db2.gz GUYUNSNIAIFWBO-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCCCC2)CC1 ZINC001024634926 1323560059 /nfs/dbraw/zinc/56/00/59/1323560059.db2.gz YUVHLMFRQIRIDV-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811311 1323713960 /nfs/dbraw/zinc/71/39/60/1323713960.db2.gz PPXLEWJAPPWCKP-RTBURBONSA-N 2 0 349.494 3.081 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814063 1323715659 /nfs/dbraw/zinc/71/56/59/1323715659.db2.gz NWJKMLCBWNBLTC-SJLPKXTDSA-N 2 0 349.494 3.081 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3nc4cc(C(F)(F)F)ccc4o3)C[C@@H]2C1 ZINC000931436970 1329117625 /nfs/dbraw/zinc/11/76/25/1329117625.db2.gz VWRBNHSUTUZZAN-NEPJUHHUSA-N 2 0 339.361 3.230 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC001024967625 1323803853 /nfs/dbraw/zinc/80/38/53/1323803853.db2.gz ZKKGZZGXVKSRIU-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024979209 1323810768 /nfs/dbraw/zinc/81/07/68/1323810768.db2.gz OHTFGSLUSMFLDC-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432724 1329115960 /nfs/dbraw/zinc/11/59/60/1329115960.db2.gz BLPIHTLUIGZXQS-VNQPRFMTSA-N 2 0 344.434 3.129 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)cs1 ZINC001025085062 1323886342 /nfs/dbraw/zinc/88/63/42/1323886342.db2.gz KURMXEFCUJRBGW-CRAIPNDOSA-N 2 0 349.544 3.012 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025135678 1323912704 /nfs/dbraw/zinc/91/27/04/1323912704.db2.gz HUXZKFWRVXBBHJ-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001025168671 1323937551 /nfs/dbraw/zinc/93/75/51/1323937551.db2.gz SKXQXAHMENXLJZ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240669 1324034402 /nfs/dbraw/zinc/03/44/02/1324034402.db2.gz PZWUUIJXABAYDN-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025245918 1324044851 /nfs/dbraw/zinc/04/48/51/1324044851.db2.gz AEFCZBHUEKXAMU-RTBURBONSA-N 2 0 340.471 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025250725 1324052788 /nfs/dbraw/zinc/05/27/88/1324052788.db2.gz DOCKTEXFQHQMIE-MOPGFXCFSA-N 2 0 340.471 3.203 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001025257514 1324063865 /nfs/dbraw/zinc/06/38/65/1324063865.db2.gz DXUHQNFMFQOTPN-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025258659 1324066766 /nfs/dbraw/zinc/06/67/66/1324066766.db2.gz LGBYJXOBQUYIGC-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261579 1324072582 /nfs/dbraw/zinc/07/25/82/1324072582.db2.gz XAHVXDABASQJSI-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261571 1324072671 /nfs/dbraw/zinc/07/26/71/1324072671.db2.gz XAHVXDABASQJSI-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001025431949 1324269013 /nfs/dbraw/zinc/26/90/13/1324269013.db2.gz DYAPUTUEUKRFME-GOEBONIOSA-N 2 0 349.544 3.050 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025517481 1324361649 /nfs/dbraw/zinc/36/16/49/1324361649.db2.gz ZXHYKTINFQAOIV-IRXDYDNUSA-N 2 0 347.503 3.138 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586081 1324426975 /nfs/dbraw/zinc/42/69/75/1324426975.db2.gz VUGRMILCSFXKNZ-UYAOXDASSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001026497334 1324848576 /nfs/dbraw/zinc/84/85/76/1324848576.db2.gz UQPMFIXPYMMYSO-GHBBCFCZSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026503832 1324853188 /nfs/dbraw/zinc/85/31/88/1324853188.db2.gz OLAJMAZXDAHJAD-ABHNRTSZSA-N 2 0 349.544 3.140 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026515597 1324861399 /nfs/dbraw/zinc/86/13/99/1324861399.db2.gz BPBMTEAGMWGBOT-SOAGJPPSSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001026549264 1324886105 /nfs/dbraw/zinc/88/61/05/1324886105.db2.gz GJMUMSYGPXJKLD-YUKKFIBKSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001026609440 1324930699 /nfs/dbraw/zinc/93/06/99/1324930699.db2.gz IDZVFAMLYLXRKZ-UHFFFAOYSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026839691 1325041830 /nfs/dbraw/zinc/04/18/30/1325041830.db2.gz DXQMRYPQZXRFSM-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925131843 1325057870 /nfs/dbraw/zinc/05/78/70/1325057870.db2.gz DPXPBNZJANVNCS-OXQOHEQNSA-N 2 0 328.456 3.426 20 0 EGADRP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242014 1325069788 /nfs/dbraw/zinc/06/97/88/1325069788.db2.gz ZADQMXDKOZPNMT-QBPKDAKJSA-N 2 0 326.575 3.078 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000925216841 1325082809 /nfs/dbraw/zinc/08/28/09/1325082809.db2.gz LBEHUVTYVZWWGN-VQTJNVASSA-N 2 0 331.504 3.045 20 0 EGADRP COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925421951 1325146022 /nfs/dbraw/zinc/14/60/22/1325146022.db2.gz HBAZCCRWKGBWRK-BEFAXECRSA-N 2 0 328.456 3.141 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963359015 1325154287 /nfs/dbraw/zinc/15/42/87/1325154287.db2.gz ZWKCCMJOWWPADW-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)cc2)c1 ZINC000925515565 1325185580 /nfs/dbraw/zinc/18/55/80/1325185580.db2.gz FSMKHKXMSAQXQV-NHCUHLMSSA-N 2 0 338.499 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963386340 1325186206 /nfs/dbraw/zinc/18/62/06/1325186206.db2.gz VGUJMNPESNWORJ-ACBHZAAOSA-N 2 0 335.536 3.020 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925524325 1325189633 /nfs/dbraw/zinc/18/96/33/1325189633.db2.gz RORKZOVLHBDOQH-NHCUHLMSSA-N 2 0 338.499 3.189 20 0 EGADRP CC[C@@H]([NH2+]C)c1nc(-c2ccccc2OCC[NH+](CC)CC)no1 ZINC000854145446 1325218542 /nfs/dbraw/zinc/21/85/42/1325218542.db2.gz RBAIUMDMERLJTO-OAHLLOKOSA-N 2 0 332.448 3.128 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221792 1325230429 /nfs/dbraw/zinc/23/04/29/1325230429.db2.gz VODJUZYLNCQHHH-SSKFGXFMSA-N 2 0 334.463 3.421 20 0 EGADRP CCON1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000925613169 1325231494 /nfs/dbraw/zinc/23/14/94/1325231494.db2.gz AQPHQGZAHLUGHI-UYAOXDASSA-N 2 0 345.531 3.293 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925628713 1325237573 /nfs/dbraw/zinc/23/75/73/1325237573.db2.gz HPJNYVPJYJHUMT-SFTDATJTSA-N 2 0 338.499 3.345 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000925641304 1325243751 /nfs/dbraw/zinc/24/37/51/1325243751.db2.gz MKYKFRIGXYXLMW-VCWRXUFXSA-N 2 0 328.500 3.479 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc(N2CCCC2)n1 ZINC000925669936 1325255801 /nfs/dbraw/zinc/25/58/01/1325255801.db2.gz ZEFGUSXWXSMSKW-VQTJNVASSA-N 2 0 342.531 3.248 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1 ZINC000925675945 1325258952 /nfs/dbraw/zinc/25/89/52/1325258952.db2.gz IGPICGPKJWPIAL-OAQYLSRUSA-N 2 0 339.483 3.093 20 0 EGADRP c1cncc([C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CCO2)c1 ZINC000925697129 1325263636 /nfs/dbraw/zinc/26/36/36/1325263636.db2.gz YTPWABIWCZULRW-WTGUMLROSA-N 2 0 329.488 3.060 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000925774341 1325293027 /nfs/dbraw/zinc/29/30/27/1325293027.db2.gz UQISOBFJULJTAP-IAOVAPTHSA-N 2 0 343.298 3.283 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000964438662 1325526219 /nfs/dbraw/zinc/52/62/19/1325526219.db2.gz XVEZYOOIMTZBCN-UHFFFAOYSA-N 2 0 331.504 3.129 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCCC1 ZINC000856885307 1325539067 /nfs/dbraw/zinc/53/90/67/1325539067.db2.gz VPVPHWDIHCKRHC-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926535601 1325589443 /nfs/dbraw/zinc/58/94/43/1325589443.db2.gz BZXSSGWNSICGJD-ZAAXVRCTSA-N 2 0 342.487 3.053 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027410505 1327637470 /nfs/dbraw/zinc/63/74/70/1327637470.db2.gz XWBQPACMUIADKP-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+][C@H]3CCOC34CCCCC4)CC2)ccn1 ZINC000926694993 1327671818 /nfs/dbraw/zinc/67/18/18/1327671818.db2.gz XKSBDWGLTUGIER-FQEVSTJZSA-N 2 0 343.515 3.375 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027432779 1327672515 /nfs/dbraw/zinc/67/25/15/1327672515.db2.gz KLCFFHRRJMPSPF-QZTJIDSGSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926739511 1327692850 /nfs/dbraw/zinc/69/28/50/1327692850.db2.gz UECFETPGMLMTKA-SJLPKXTDSA-N 2 0 339.487 3.040 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(C[NH+](C)C)c1 ZINC000926769474 1327708937 /nfs/dbraw/zinc/70/89/37/1327708937.db2.gz GGFDLJCEBVUYTC-DJKXOVBDSA-N 2 0 341.455 3.030 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000926791253 1327719462 /nfs/dbraw/zinc/71/94/62/1327719462.db2.gz QCKOVUXMOFPYJO-WOJBJXKFSA-N 2 0 332.536 3.231 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000927018691 1327822632 /nfs/dbraw/zinc/82/26/32/1327822632.db2.gz PWWVFHFCUZOROR-JLAWEPINSA-N 2 0 336.520 3.101 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000927098090 1327859578 /nfs/dbraw/zinc/85/95/78/1327859578.db2.gz BFFBZAKBZFONAL-OAHLLOKOSA-N 2 0 342.487 3.089 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027878855 1328345789 /nfs/dbraw/zinc/34/57/89/1328345789.db2.gz JGTAMKWMWJXHLG-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885715 1328353507 /nfs/dbraw/zinc/35/35/07/1328353507.db2.gz IQILISKMKJVGIY-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCCC2)CC[N@@H+]1C ZINC001027895359 1328360362 /nfs/dbraw/zinc/36/03/62/1328360362.db2.gz WAUAIVCPWMMFOD-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001027972366 1328445395 /nfs/dbraw/zinc/44/53/95/1328445395.db2.gz UEEWOIGIJGOSIK-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001027998070 1328462524 /nfs/dbraw/zinc/46/25/24/1328462524.db2.gz VHXOPXFDHCFPKS-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001027998066 1328463535 /nfs/dbraw/zinc/46/35/35/1328463535.db2.gz VHXOPXFDHCFPKS-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001028002704 1328464439 /nfs/dbraw/zinc/46/44/39/1328464439.db2.gz GKDBSXKUEHGYPC-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001028029255 1328492353 /nfs/dbraw/zinc/49/23/53/1328492353.db2.gz TZJGSABATTZHDI-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028048220 1328512501 /nfs/dbraw/zinc/51/25/01/1328512501.db2.gz AOIPYQLVAZSMGR-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865437208 1329697227 /nfs/dbraw/zinc/69/72/27/1329697227.db2.gz CUCVLIQKGJPHPP-CQSZACIVSA-N 2 0 348.441 3.187 20 0 EGADRP CCCn1cc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000865717922 1329732093 /nfs/dbraw/zinc/73/20/93/1329732093.db2.gz OWFKISMRCBWAGU-UHFFFAOYSA-N 2 0 341.503 3.080 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000933258944 1329875513 /nfs/dbraw/zinc/87/55/13/1329875513.db2.gz UTJSQCFHTPFLMB-MJGOQNOKSA-N 2 0 345.531 3.276 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000866467376 1330116247 /nfs/dbraw/zinc/11/62/47/1330116247.db2.gz GKHLNHASEFWXMH-BHIYHBOVSA-N 2 0 338.536 3.454 20 0 EGADRP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666817 1330139781 /nfs/dbraw/zinc/13/97/81/1330139781.db2.gz XOKNRERZWZHRSD-XHSDSOJGSA-N 2 0 349.906 3.297 20 0 EGADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000866706026 1330143596 /nfs/dbraw/zinc/14/35/96/1330143596.db2.gz FGASUHMGRUBWOO-GOSISDBHSA-N 2 0 347.894 3.118 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCCC2CC[NH+](C(C)C)CC2)c1 ZINC000868163455 1330257307 /nfs/dbraw/zinc/25/73/07/1330257307.db2.gz LFJGPDNOBVLYOF-UHFFFAOYSA-N 2 0 346.519 3.428 20 0 EGADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000939064163 1330367987 /nfs/dbraw/zinc/36/79/87/1330367987.db2.gz RRUQBRQNWKPYDV-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)CC2(C)C)CC1 ZINC000940993776 1331287963 /nfs/dbraw/zinc/28/79/63/1331287963.db2.gz NMPGYKMGFKROPE-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942173953 1331861444 /nfs/dbraw/zinc/86/14/44/1331861444.db2.gz SPHZCOJYHBDTCY-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518507 1331950597 /nfs/dbraw/zinc/95/05/97/1331950597.db2.gz SMEVPVLDIOFPIK-KXBFYZLASA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558553 1331972898 /nfs/dbraw/zinc/97/28/98/1331972898.db2.gz YFYTXWIEQZADGF-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943306 1332458873 /nfs/dbraw/zinc/45/88/73/1332458873.db2.gz GPYATVKYUIGXPK-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946779092 1332897930 /nfs/dbraw/zinc/89/79/30/1332897930.db2.gz FZPXXQQDCNDRQG-GBESFXJTSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC000947310311 1333084403 /nfs/dbraw/zinc/08/44/03/1333084403.db2.gz PDLDBWKZQLGHLH-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947471709 1333141587 /nfs/dbraw/zinc/14/15/87/1333141587.db2.gz DZFKQYBUQVPWKK-RHSMWYFYSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CC1CCCC1 ZINC000947506046 1333149386 /nfs/dbraw/zinc/14/93/86/1333149386.db2.gz JEMCWYLQCXCCFQ-YJBOKZPZSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000948040861 1333350019 /nfs/dbraw/zinc/35/00/19/1333350019.db2.gz UXQRCRUJDNTIHK-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC000948064409 1333361083 /nfs/dbraw/zinc/36/10/83/1333361083.db2.gz CAVUZHUNHNLNNJ-VQIMIIECSA-N 2 0 343.515 3.131 20 0 EGADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948374779 1333501129 /nfs/dbraw/zinc/50/11/29/1333501129.db2.gz YNUCBUUUDPDSJZ-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000948553908 1333572555 /nfs/dbraw/zinc/57/25/55/1333572555.db2.gz OGDNUUCSIBAONY-MSOLQXFVSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593431 1333588322 /nfs/dbraw/zinc/58/83/22/1333588322.db2.gz DUMNXSJKBSGHOI-WBVHZDCISA-N 2 0 346.450 3.009 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000948620040 1333599517 /nfs/dbraw/zinc/59/95/17/1333599517.db2.gz BDCXSXHKQMHYOQ-ILNGBFOMSA-N 2 0 346.862 3.013 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948741454 1333654970 /nfs/dbraw/zinc/65/49/70/1333654970.db2.gz BVIQNDSHBXIDRP-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948854208 1333709997 /nfs/dbraw/zinc/70/99/97/1333709997.db2.gz JTOXDAJMURGFIP-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000949012035 1333765245 /nfs/dbraw/zinc/76/52/45/1333765245.db2.gz LSAOIZYGIJSUJJ-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000949801638 1333926573 /nfs/dbraw/zinc/92/65/73/1333926573.db2.gz VZUWSYVRFKXAEU-FQEVSTJZSA-N 2 0 347.547 3.143 20 0 EGADRP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950331515 1334043366 /nfs/dbraw/zinc/04/33/66/1334043366.db2.gz PYMDMNLFDGDKFZ-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951628493 1334281361 /nfs/dbraw/zinc/28/13/61/1334281361.db2.gz SNOPHTPFOQNZNG-WOJBJXKFSA-N 2 0 347.547 3.118 20 0 EGADRP CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000951749676 1334311258 /nfs/dbraw/zinc/31/12/58/1334311258.db2.gz CMXCRTOLUAIGEB-YLJYHZDGSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708523 1335805780 /nfs/dbraw/zinc/80/57/80/1335805780.db2.gz SRDIHFRHICXRPS-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858380 1336070888 /nfs/dbraw/zinc/07/08/88/1336070888.db2.gz CSWBLFIYFHLUQO-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CC2)ccc2c[nH+]cn21 ZINC000968925483 1336091111 /nfs/dbraw/zinc/09/11/11/1336091111.db2.gz FFFIOYRTMQBUKL-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933949 1336095172 /nfs/dbraw/zinc/09/51/72/1336095172.db2.gz IJUUWROOWYQBLO-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968967018 1336104663 /nfs/dbraw/zinc/10/46/63/1336104663.db2.gz HVYGEQQDBUSBFD-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969013657 1336118430 /nfs/dbraw/zinc/11/84/30/1336118430.db2.gz CKFCTLALSHBINO-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2=CCCCC2)CC1 ZINC000969013675 1336118667 /nfs/dbraw/zinc/11/86/67/1336118667.db2.gz CUETYEANWUSJRX-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000969215881 1336178887 /nfs/dbraw/zinc/17/88/87/1336178887.db2.gz HJSVDHCEXOFBND-SJLPKXTDSA-N 2 0 348.450 3.208 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC000969635955 1336231654 /nfs/dbraw/zinc/23/16/54/1336231654.db2.gz DTCSMWHKDSWEPV-DAYGRLMNSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680840 1336236638 /nfs/dbraw/zinc/23/66/38/1336236638.db2.gz OZORZJJEECKOLQ-ROUUACIJSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005645142 1336386885 /nfs/dbraw/zinc/38/68/85/1336386885.db2.gz UBKHLEFGVVXLIJ-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001005883041 1336415557 /nfs/dbraw/zinc/41/55/57/1336415557.db2.gz AZIRKMOGDMEXLS-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC001005894557 1336417914 /nfs/dbraw/zinc/41/79/14/1336417914.db2.gz XTOHUTIGLJBZPY-UHFFFAOYSA-N 2 0 349.519 3.314 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001007498042 1336657714 /nfs/dbraw/zinc/65/77/14/1336657714.db2.gz YSEKXXBBWGLRQK-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007500200 1336658300 /nfs/dbraw/zinc/65/83/00/1336658300.db2.gz RGEJJSDUOINJKJ-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007749089 1336694460 /nfs/dbraw/zinc/69/44/60/1336694460.db2.gz UPAOFTMOXIVVLT-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751445 1336694963 /nfs/dbraw/zinc/69/49/63/1336694963.db2.gz ZMPCUMUFVWAHLZ-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801906 1336703395 /nfs/dbraw/zinc/70/33/95/1336703395.db2.gz UNURABASDLSOEK-QFBILLFUSA-N 2 0 348.450 3.290 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206005229 1370935463 /nfs/dbraw/zinc/93/54/63/1370935463.db2.gz XDPOBRAQYMITPB-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001008165579 1336782928 /nfs/dbraw/zinc/78/29/28/1336782928.db2.gz XGIJQNYQPDVJJZ-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278785 1336813361 /nfs/dbraw/zinc/81/33/61/1336813361.db2.gz YPYCITWDUBAVTD-AZUAARDMSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001008757689 1336921285 /nfs/dbraw/zinc/92/12/85/1336921285.db2.gz YVYFVLZTCLKINO-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001008767980 1336923410 /nfs/dbraw/zinc/92/34/10/1336923410.db2.gz MHJOOQGVBOXCTE-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001009052874 1336960976 /nfs/dbraw/zinc/96/09/76/1336960976.db2.gz VGEKQYRCQHKXHL-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014633887 1337854530 /nfs/dbraw/zinc/85/45/30/1337854530.db2.gz UMEIGDSLTYZTOJ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001014720234 1337882769 /nfs/dbraw/zinc/88/27/69/1337882769.db2.gz CMSZLPQTDJFMTM-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC001015506877 1338161916 /nfs/dbraw/zinc/16/19/16/1338161916.db2.gz ZSHDRUUDCQQMCL-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603790 1338205485 /nfs/dbraw/zinc/20/54/85/1338205485.db2.gz YIXYAIQHIAFTFJ-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001015791334 1338312101 /nfs/dbraw/zinc/31/21/01/1338312101.db2.gz CSICSTINUJFRRR-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795761 1338315585 /nfs/dbraw/zinc/31/55/85/1338315585.db2.gz RVSJHCIOHVHRRZ-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001016340473 1338555446 /nfs/dbraw/zinc/55/54/46/1338555446.db2.gz WTCCQOOHYRJXIV-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001016544408 1338640179 /nfs/dbraw/zinc/64/01/79/1338640179.db2.gz WMBGCHMSWJDRPF-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016653001 1338679681 /nfs/dbraw/zinc/67/96/81/1338679681.db2.gz YEKDJRCZZHBTHV-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC)CC2 ZINC001016924418 1338771360 /nfs/dbraw/zinc/77/13/60/1338771360.db2.gz WVQFBEUWEZIZSD-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017139193 1338892593 /nfs/dbraw/zinc/89/25/93/1338892593.db2.gz SVAVRGGYUJTXIH-MRXNPFEDSA-N 2 0 349.544 3.004 20 0 EGADRP C[N@H+](C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001017266264 1338992311 /nfs/dbraw/zinc/99/23/11/1338992311.db2.gz LWIKSYLULBOHKP-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689984 1339391567 /nfs/dbraw/zinc/39/15/67/1339391567.db2.gz WFBMTFXDZLCKAQ-QRQLOZEOSA-N 2 0 349.563 3.361 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018304623 1339569850 /nfs/dbraw/zinc/56/98/50/1339569850.db2.gz ISVAEKVZBRDTAT-QRQLOZEOSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018307407 1339570702 /nfs/dbraw/zinc/57/07/02/1339570702.db2.gz VZESBNFNMOABNJ-BGYRXZFFSA-N 2 0 343.515 3.083 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094392 1340422776 /nfs/dbraw/zinc/42/27/76/1340422776.db2.gz YPMLBNAOJFARBU-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001028335204 1340572529 /nfs/dbraw/zinc/57/25/29/1340572529.db2.gz PPPKFWNFZOKHTH-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCC2)o1 ZINC001028344167 1340583464 /nfs/dbraw/zinc/58/34/64/1340583464.db2.gz XBJXTNIBVYOMLZ-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP O=C(NC[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001028594643 1340719955 /nfs/dbraw/zinc/71/99/55/1340719955.db2.gz JKPWZLBHLQQMDU-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661135 1340745967 /nfs/dbraw/zinc/74/59/67/1340745967.db2.gz GDGYNZAWSSGXSX-DLBZAZTESA-N 2 0 348.450 3.147 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755059 1340791977 /nfs/dbraw/zinc/79/19/77/1340791977.db2.gz FPVAZMBMOWBLOG-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC=C(C)C)C2)o1 ZINC001029011598 1340908464 /nfs/dbraw/zinc/90/84/64/1340908464.db2.gz APRRWJQLKREPQQ-KRWDZBQOSA-N 2 0 347.503 3.139 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001029100616 1340930032 /nfs/dbraw/zinc/93/00/32/1340930032.db2.gz KPQWLAWLBZIVMM-MJGOQNOKSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101653 1340930243 /nfs/dbraw/zinc/93/02/43/1340930243.db2.gz LUXMKZXIUIOKLM-MBOZVWFJSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001029108869 1340931969 /nfs/dbraw/zinc/93/19/69/1340931969.db2.gz UEGSELAGRRRIGI-MRXNPFEDSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001029145027 1340942474 /nfs/dbraw/zinc/94/24/74/1340942474.db2.gz ZRVAWMXIKUYSSZ-QGZVFWFLSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001029473933 1340998176 /nfs/dbraw/zinc/99/81/76/1340998176.db2.gz XYOKRZRDTFPUNR-YSIASYRMSA-N 2 0 345.531 3.036 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001029886679 1341104944 /nfs/dbraw/zinc/10/49/44/1341104944.db2.gz IBUGORARYCENMQ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001029887520 1341105338 /nfs/dbraw/zinc/10/53/38/1341105338.db2.gz MZZUCGOJPSMBLN-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1)[NH+](C)C ZINC001029971944 1341139506 /nfs/dbraw/zinc/13/95/06/1341139506.db2.gz FOKKTPKJVCZKEQ-FQEVSTJZSA-N 2 0 349.563 3.243 20 0 EGADRP C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001029973400 1341140118 /nfs/dbraw/zinc/14/01/18/1341140118.db2.gz AHRNASHDUCBBHN-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001029995701 1341151345 /nfs/dbraw/zinc/15/13/45/1341151345.db2.gz VJSXGRNDORYBBB-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)[NH+]1CCCC1 ZINC001030014557 1341158378 /nfs/dbraw/zinc/15/83/78/1341158378.db2.gz AECQMHKPFNFRFQ-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673235 1341386854 /nfs/dbraw/zinc/38/68/54/1341386854.db2.gz BBRGNOXTEIQLOL-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042550 1341444543 /nfs/dbraw/zinc/44/45/43/1341444543.db2.gz DJZJVVRGDSFYIJ-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032445234 1341512030 /nfs/dbraw/zinc/51/20/30/1341512030.db2.gz ANIZCYZQXPBVKU-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033318089 1341779268 /nfs/dbraw/zinc/77/92/68/1341779268.db2.gz GJTCDZWZTQMAND-LJQANCHMSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319301 1341779985 /nfs/dbraw/zinc/77/99/85/1341779985.db2.gz PFIFWZUHAUZAAR-HKUYNNGSSA-N 2 0 343.515 3.155 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033354082 1341794006 /nfs/dbraw/zinc/79/40/06/1341794006.db2.gz NCRDNYQWSROBCJ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001033420289 1341821444 /nfs/dbraw/zinc/82/14/44/1341821444.db2.gz NTKNUNKTSYXGJM-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001033532979 1341861659 /nfs/dbraw/zinc/86/16/59/1341861659.db2.gz WVWFAQCIOMVVBN-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572594 1341878293 /nfs/dbraw/zinc/87/82/93/1341878293.db2.gz VQTWZLFBGADPIB-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033570497 1341878570 /nfs/dbraw/zinc/87/85/70/1341878570.db2.gz AXTNFMNKUCZSKJ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033826505 1342027665 /nfs/dbraw/zinc/02/76/65/1342027665.db2.gz QKKLNUADLJVHOU-ZWKOTPCHSA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033880664 1342057372 /nfs/dbraw/zinc/05/73/72/1342057372.db2.gz YUBGYOOCAVFONL-QAPCUYQASA-N 2 0 342.487 3.225 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033896509 1342068578 /nfs/dbraw/zinc/06/85/78/1342068578.db2.gz DRQVTFWIQGVEFH-GOSISDBHSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034202734 1342312943 /nfs/dbraw/zinc/31/29/43/1342312943.db2.gz ANKSNTRSKHSTJM-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034203870 1342313669 /nfs/dbraw/zinc/31/36/69/1342313669.db2.gz HCHATNHDZBLNDF-ZWKOTPCHSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034281764 1342371296 /nfs/dbraw/zinc/37/12/96/1342371296.db2.gz FSVKIBUVSNBRIU-KRWDZBQOSA-N 2 0 340.471 3.193 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291548 1342377034 /nfs/dbraw/zinc/37/70/34/1342377034.db2.gz ZHHUPQAYYGDRKY-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC001034310097 1342392944 /nfs/dbraw/zinc/39/29/44/1342392944.db2.gz UCCOCJBCGJQBSV-IBGZPJMESA-N 2 0 348.450 3.119 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001034339399 1342413784 /nfs/dbraw/zinc/41/37/84/1342413784.db2.gz FAUTWZJUYHMKJX-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001034340783 1342414458 /nfs/dbraw/zinc/41/44/58/1342414458.db2.gz UXTMTGBMTBGXIE-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001034340784 1342414653 /nfs/dbraw/zinc/41/46/53/1342414653.db2.gz UXTMTGBMTBGXIE-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034395170 1342463648 /nfs/dbraw/zinc/46/36/48/1342463648.db2.gz VEWNGPRUTWFWSX-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001034462450 1342518412 /nfs/dbraw/zinc/51/84/12/1342518412.db2.gz NTSGQOAAEFLMNH-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034480046 1342536866 /nfs/dbraw/zinc/53/68/66/1342536866.db2.gz DYHAMGTZTHJUIL-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC)C1 ZINC001034481133 1342538856 /nfs/dbraw/zinc/53/88/56/1342538856.db2.gz QURGPKNVEDEQOW-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001034527784 1342584420 /nfs/dbraw/zinc/58/44/20/1342584420.db2.gz HYFVDGUORZDAQN-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528303 1342584619 /nfs/dbraw/zinc/58/46/19/1342584619.db2.gz LWECASFZKNICNS-RTBURBONSA-N 2 0 343.515 3.123 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034538047 1342595235 /nfs/dbraw/zinc/59/52/35/1342595235.db2.gz HMCSFKKKGPYOQW-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034538255 1342595289 /nfs/dbraw/zinc/59/52/89/1342595289.db2.gz KHDRVTIOXZLPDX-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC001034672373 1342683038 /nfs/dbraw/zinc/68/30/38/1342683038.db2.gz LKCXEJXSQQOGQD-AFYVEPGGSA-N 2 0 343.515 3.249 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001034698172 1342697853 /nfs/dbraw/zinc/69/78/53/1342697853.db2.gz GNUOVAULLQFWLE-WGSAOQKQSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1ccccc1 ZINC001034738882 1342729938 /nfs/dbraw/zinc/72/99/38/1342729938.db2.gz XGHNJQLKMIJKKE-HNJRGHQBSA-N 2 0 343.515 3.249 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034795656 1342762675 /nfs/dbraw/zinc/76/26/75/1342762675.db2.gz OHPGXWUJUMWDPJ-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034935988 1342843482 /nfs/dbraw/zinc/84/34/82/1342843482.db2.gz GASKNIZNEQQFBC-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)c1 ZINC001034957165 1342852815 /nfs/dbraw/zinc/85/28/15/1342852815.db2.gz KQGSGZYOZTYFDT-PKOBYXMFSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1Cl ZINC001035013906 1342875764 /nfs/dbraw/zinc/87/57/64/1342875764.db2.gz NUMGBLJYUPXLIF-IIDMSEBBSA-N 2 0 349.906 3.076 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001035039499 1342892755 /nfs/dbraw/zinc/89/27/55/1342892755.db2.gz DTKXFCLPOUATHQ-DFQSSKMNSA-N 2 0 345.531 3.223 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001035134723 1342950180 /nfs/dbraw/zinc/95/01/80/1342950180.db2.gz OZKXPIJBGUXTBV-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035227138 1343048537 /nfs/dbraw/zinc/04/85/37/1343048537.db2.gz OOWQBVVPUZNIRC-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233517 1343055005 /nfs/dbraw/zinc/05/50/05/1343055005.db2.gz GKIZYSNSYRQHFP-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741374 1343163428 /nfs/dbraw/zinc/16/34/28/1343163428.db2.gz MEKKZKIXTIJBIP-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035773079 1343184374 /nfs/dbraw/zinc/18/43/74/1343184374.db2.gz QECJKXKQRQNRKT-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035826903 1343217171 /nfs/dbraw/zinc/21/71/71/1343217171.db2.gz XJIUADJRIZTJBT-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001037213716 1344046438 /nfs/dbraw/zinc/04/64/38/1344046438.db2.gz PZGKTMHZDVICAT-GOEBONIOSA-N 2 0 337.533 3.096 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001037251297 1344069043 /nfs/dbraw/zinc/06/90/43/1344069043.db2.gz WNLNJQYVZGNABK-VQTJNVASSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CC2)c1 ZINC001037279764 1344071730 /nfs/dbraw/zinc/07/17/30/1344071730.db2.gz SVJMVEXTEGPJPG-PMACEKPBSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037854919 1344140820 /nfs/dbraw/zinc/14/08/20/1344140820.db2.gz RXNHQMPJBJGGAF-ROUUACIJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037855678 1344141488 /nfs/dbraw/zinc/14/14/88/1344141488.db2.gz WSVNVKZDCRCXKF-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037862910 1344147783 /nfs/dbraw/zinc/14/77/83/1344147783.db2.gz WMOBCLFYZHSRCF-UYAOXDASSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037906823 1344171357 /nfs/dbraw/zinc/17/13/57/1344171357.db2.gz UQZISPZNRNALIZ-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038241924 1344339698 /nfs/dbraw/zinc/33/96/98/1344339698.db2.gz XFPJCVXQKXHILJ-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1CCCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247122 1344342863 /nfs/dbraw/zinc/34/28/63/1344342863.db2.gz GNKSIFRLRFWVQH-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038448555 1344431165 /nfs/dbraw/zinc/43/11/65/1344431165.db2.gz JAIFFMLXOVEHBW-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038448117 1344431183 /nfs/dbraw/zinc/43/11/83/1344431183.db2.gz HBLZKHIUTWWJHW-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1CCCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620900 1344508320 /nfs/dbraw/zinc/50/83/20/1344508320.db2.gz FVGPJZRSHGAQBU-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039140253 1344820021 /nfs/dbraw/zinc/82/00/21/1344820021.db2.gz RJTRPRWDGIHVQK-PMACEKPBSA-N 2 0 349.563 3.076 20 0 EGADRP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039281067 1344995037 /nfs/dbraw/zinc/99/50/37/1344995037.db2.gz JKYBDHVUABXRIQ-FQVATPOOSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039281012 1344995140 /nfs/dbraw/zinc/99/51/40/1344995140.db2.gz HKWYRQRVCHBLKK-YQQQUEKLSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039288014 1344997811 /nfs/dbraw/zinc/99/78/11/1344997811.db2.gz QZUATWPCOBAZAV-RAFMOHDBSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039313838 1345009646 /nfs/dbraw/zinc/00/96/46/1345009646.db2.gz SCLVWYHTSAWTKB-NXEWRWPSSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001039422925 1345060938 /nfs/dbraw/zinc/06/09/38/1345060938.db2.gz SYNXTGWBKUXSBQ-AABGKKOBSA-N 2 0 347.547 3.257 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001040014903 1345288194 /nfs/dbraw/zinc/28/81/94/1345288194.db2.gz UAVHZXJJZPLCIV-QGZVKYPTSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040202037 1345373520 /nfs/dbraw/zinc/37/35/20/1345373520.db2.gz PGGLUEMRAYEZSL-CTNGQTDRSA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040211085 1345377658 /nfs/dbraw/zinc/37/76/58/1345377658.db2.gz TVSQOWLDVDKAJH-YFVAEKQCSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040232177 1345387238 /nfs/dbraw/zinc/38/72/38/1345387238.db2.gz OIEFGMIZUSFYPI-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349126 1345447430 /nfs/dbraw/zinc/44/74/30/1345447430.db2.gz VGUALUWYJUXYHY-CTNGQTDRSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040396971 1345475435 /nfs/dbraw/zinc/47/54/35/1345475435.db2.gz XHXXKDRKTQTSPS-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543622 1345539519 /nfs/dbraw/zinc/53/95/19/1345539519.db2.gz PVZBRZRNKXTYNB-NRFANRHFSA-N 2 0 347.547 3.143 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001040874661 1345592314 /nfs/dbraw/zinc/59/23/14/1345592314.db2.gz INLDZFWHNWHZMY-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001040893791 1345594919 /nfs/dbraw/zinc/59/49/19/1345594919.db2.gz CTMLEPUWBKZBKH-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948566 1345607865 /nfs/dbraw/zinc/60/78/65/1345607865.db2.gz UMZNQNZMSQPXTL-KDURUIRLSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040953014 1345608754 /nfs/dbraw/zinc/60/87/54/1345608754.db2.gz IYMOPDREACTDSZ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041307071 1345697440 /nfs/dbraw/zinc/69/74/40/1345697440.db2.gz NOFALTRYICHSPA-ZVDOUQERSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCCC3CCCC3)C2)C1)[NH+](C)C ZINC001041405103 1345718980 /nfs/dbraw/zinc/71/89/80/1345718980.db2.gz ZYBREJZFPAWWLT-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCCC3)C2)C1)[NH+](C)C ZINC001041405104 1345719473 /nfs/dbraw/zinc/71/94/73/1345719473.db2.gz ZYBREJZFPAWWLT-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590173 1345784707 /nfs/dbraw/zinc/78/47/07/1345784707.db2.gz OMQCYZKVRNXPIL-PZJWPPBQSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590176 1345785061 /nfs/dbraw/zinc/78/50/61/1345785061.db2.gz OMQCYZKVRNXPIL-TZIWHRDSSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769410 1345843536 /nfs/dbraw/zinc/84/35/36/1345843536.db2.gz OMCOTIXGZWRAJZ-RXVVDRJESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846175 1345872071 /nfs/dbraw/zinc/87/20/71/1345872071.db2.gz YTSACMXPOCALNH-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371024 1346060782 /nfs/dbraw/zinc/06/07/82/1346060782.db2.gz KDXJICFJXFQXIC-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001044006080 1346232705 /nfs/dbraw/zinc/23/27/05/1346232705.db2.gz MCZXGALNARGZLW-AFMYVXGZSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630473 1346387987 /nfs/dbraw/zinc/38/79/87/1346387987.db2.gz WSMARCCCOUNZNF-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630472 1346388237 /nfs/dbraw/zinc/38/82/37/1346388237.db2.gz WSMARCCCOUNZNF-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858941 1346447087 /nfs/dbraw/zinc/44/70/87/1346447087.db2.gz XQGDGFICPQJWRZ-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045065627 1346488629 /nfs/dbraw/zinc/48/86/29/1346488629.db2.gz BECYQEBROWFADT-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045067829 1346489219 /nfs/dbraw/zinc/48/92/19/1346489219.db2.gz AHFSNRYHOLHBJB-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1)C1CCC1 ZINC001045070577 1346489642 /nfs/dbraw/zinc/48/96/42/1346489642.db2.gz LSQZBKUDGHADPB-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001045229239 1346536337 /nfs/dbraw/zinc/53/63/37/1346536337.db2.gz JUUJRVTZLSMTAH-UUKMXZOPSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045271591 1346545110 /nfs/dbraw/zinc/54/51/10/1346545110.db2.gz ZWNKKLBMSWWFNC-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045322773 1346559716 /nfs/dbraw/zinc/55/97/16/1346559716.db2.gz NJXNURIJCIJMNX-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045385555 1346579832 /nfs/dbraw/zinc/57/98/32/1346579832.db2.gz SZVAYZDXWKEDMP-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CCC(C)(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001045390270 1346580744 /nfs/dbraw/zinc/58/07/44/1346580744.db2.gz PQOAASARMVAOGG-PKOBYXMFSA-N 2 0 343.515 3.121 20 0 EGADRP CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045475667 1346602848 /nfs/dbraw/zinc/60/28/48/1346602848.db2.gz OFMNHPUBDGWNQQ-MOPGFXCFSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001045639773 1346656119 /nfs/dbraw/zinc/65/61/19/1346656119.db2.gz RDSDXTOATITSMF-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942695 1346778178 /nfs/dbraw/zinc/77/81/78/1346778178.db2.gz XJNCSFHJKQRWNS-NRFANRHFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045943287 1346779537 /nfs/dbraw/zinc/77/95/37/1346779537.db2.gz HNCCHUASYMEBKX-PZJWPPBQSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945749 1346781588 /nfs/dbraw/zinc/78/15/88/1346781588.db2.gz YTQMJFLKDVVKRM-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949135 1346783987 /nfs/dbraw/zinc/78/39/87/1346783987.db2.gz YLIKJBYXSHBORM-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949318 1346784142 /nfs/dbraw/zinc/78/41/42/1346784142.db2.gz DHELIBLZKSZPTD-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960832 1346796233 /nfs/dbraw/zinc/79/62/33/1346796233.db2.gz UGGVSCJCSKCWGG-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960976 1346796472 /nfs/dbraw/zinc/79/64/72/1346796472.db2.gz XZNFBALJITTWRL-FQEVSTJZSA-N 2 0 347.503 3.068 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045966037 1346801386 /nfs/dbraw/zinc/80/13/86/1346801386.db2.gz YIVFACXBHQYSGK-UYAOXDASSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001045967031 1346801864 /nfs/dbraw/zinc/80/18/64/1346801864.db2.gz LJPRXUNXHVJHPP-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972561 1346808523 /nfs/dbraw/zinc/80/85/23/1346808523.db2.gz DSXSKEOASMAEHB-CTNGQTDRSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986678 1346828633 /nfs/dbraw/zinc/82/86/33/1346828633.db2.gz XZUWNJGCQIIAQS-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001046316364 1346931938 /nfs/dbraw/zinc/93/19/38/1346931938.db2.gz PFILETUHEMVOKV-AZUAARDMSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001046316058 1346932455 /nfs/dbraw/zinc/93/24/55/1346932455.db2.gz NDOAECRLWMJSJK-AZUAARDMSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001046435266 1346975175 /nfs/dbraw/zinc/97/51/75/1346975175.db2.gz AFENIVYYLUWFMV-OAQYLSRUSA-N 2 0 348.450 3.037 20 0 EGADRP Cc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001046449293 1346977939 /nfs/dbraw/zinc/97/79/39/1346977939.db2.gz BOFWHSSITRHFJX-OAQYLSRUSA-N 2 0 348.450 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046561994 1347018313 /nfs/dbraw/zinc/01/83/13/1347018313.db2.gz LCENLLJFMKBVDT-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CCC(C)C)C2)o1 ZINC001046864227 1347137186 /nfs/dbraw/zinc/13/71/86/1347137186.db2.gz QAJSDDSWTXBXIW-HXUWFJFHSA-N 2 0 349.519 3.362 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001047241109 1347267543 /nfs/dbraw/zinc/26/75/43/1347267543.db2.gz LBAXRZATLNWGFX-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047242542 1347268557 /nfs/dbraw/zinc/26/85/57/1347268557.db2.gz UVRQYHHJIVOHMK-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047961222 1347425469 /nfs/dbraw/zinc/42/54/69/1347425469.db2.gz ZFRJUIHDUWAZRG-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048526251 1347577973 /nfs/dbraw/zinc/57/79/73/1347577973.db2.gz LFZUPKUHRGSMAB-IYWMVGAKSA-N 2 0 347.547 3.019 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC1 ZINC001048560805 1347593797 /nfs/dbraw/zinc/59/37/97/1347593797.db2.gz STKDREFOMFVPLP-GGPHIMKMSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048582990 1347604996 /nfs/dbraw/zinc/60/49/96/1347604996.db2.gz BNJSDOCTCAXCJO-FSGKZVOOSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC001048862099 1347672587 /nfs/dbraw/zinc/67/25/87/1347672587.db2.gz PLRBFVPZSBOZFF-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001049709787 1347985541 /nfs/dbraw/zinc/98/55/41/1347985541.db2.gz JNMVWVYNHIRHDV-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049723815 1347990829 /nfs/dbraw/zinc/99/08/29/1347990829.db2.gz OZIWKRYADJVBHC-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049726666 1347991189 /nfs/dbraw/zinc/99/11/89/1347991189.db2.gz GGXPOPZCZZXZJC-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049725292 1347991409 /nfs/dbraw/zinc/99/14/09/1347991409.db2.gz WHKFIOVXRQEMJD-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CC1 ZINC001049767120 1348010553 /nfs/dbraw/zinc/01/05/53/1348010553.db2.gz NSYSPKLFZXYPKU-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806976 1348028925 /nfs/dbraw/zinc/02/89/25/1348028925.db2.gz QIQFBDXDTBQXTD-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926667 1348117185 /nfs/dbraw/zinc/11/71/85/1348117185.db2.gz QKXSCIBMEZLZCE-ROUUACIJSA-N 2 0 347.503 3.210 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001050253657 1348219454 /nfs/dbraw/zinc/21/94/54/1348219454.db2.gz MSIDIMABPFCLSS-XLIONFOSSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001050368097 1348240564 /nfs/dbraw/zinc/24/05/64/1348240564.db2.gz RTCZIMZOWZPIBP-MISYRCLQSA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001050729845 1348340208 /nfs/dbraw/zinc/34/02/08/1348340208.db2.gz CTVBFUJMVQQBKP-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050765230 1348352157 /nfs/dbraw/zinc/35/21/57/1348352157.db2.gz MGOIBVCNPRGYOU-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001051356356 1348442194 /nfs/dbraw/zinc/44/21/94/1348442194.db2.gz UNSORJKPSMGSDP-SXLOBPIMSA-N 2 0 345.531 3.367 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CC2)CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001052381187 1348537028 /nfs/dbraw/zinc/53/70/28/1348537028.db2.gz MBQFLSRRTQACRR-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052499535 1348560229 /nfs/dbraw/zinc/56/02/29/1348560229.db2.gz XBYCQKBYZKNZHQ-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531440 1348567795 /nfs/dbraw/zinc/56/77/95/1348567795.db2.gz IUAOCZKWBMYOBM-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561508 1348579824 /nfs/dbraw/zinc/57/98/24/1348579824.db2.gz AEGJDNKNEBYKOE-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591637 1348588546 /nfs/dbraw/zinc/58/85/46/1348588546.db2.gz PYMYDUJQJKEPBR-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001052658810 1348617010 /nfs/dbraw/zinc/61/70/10/1348617010.db2.gz ZKYWPXSKXNNICX-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001052658790 1348617045 /nfs/dbraw/zinc/61/70/45/1348617045.db2.gz YPNFMZBKRSZWSW-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)CC2)CC1 ZINC001052677858 1348626279 /nfs/dbraw/zinc/62/62/79/1348626279.db2.gz RYEZBDIBFGYHBV-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052716306 1348646451 /nfs/dbraw/zinc/64/64/51/1348646451.db2.gz LHAHWFJBCQVDAU-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC001052717805 1348646873 /nfs/dbraw/zinc/64/68/73/1348646873.db2.gz ZZDARMQTDDUUCN-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788555 1348680123 /nfs/dbraw/zinc/68/01/23/1348680123.db2.gz SUFRNBXGVKLRES-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC)CC1 ZINC001052860428 1348706041 /nfs/dbraw/zinc/70/60/41/1348706041.db2.gz TZUMSYAZCVVVKI-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](C/C=C/Cl)CC2)c1 ZINC001052954157 1348768817 /nfs/dbraw/zinc/76/88/17/1348768817.db2.gz LVDDZWQJIMYPCA-DNXKIMQPSA-N 2 0 349.906 3.085 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956656 1348771158 /nfs/dbraw/zinc/77/11/58/1348771158.db2.gz WIOXDBUYHHAYCR-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036897 1348836551 /nfs/dbraw/zinc/83/65/51/1348836551.db2.gz RVDNOTLWYKNBJF-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042401 1348844165 /nfs/dbraw/zinc/84/41/65/1348844165.db2.gz PSPVPDIRDZFCMD-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105076 1348941311 /nfs/dbraw/zinc/94/13/11/1348941311.db2.gz LGICKFMARJMIEQ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164278 1349167422 /nfs/dbraw/zinc/16/74/22/1349167422.db2.gz FZXVZLJFRYRWDA-HXUWFJFHSA-N 2 0 340.471 3.063 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(C)C)C3)C2)C1 ZINC001054182931 1349186160 /nfs/dbraw/zinc/18/61/60/1349186160.db2.gz UOIVWNGJNNVRKX-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209167 1349210858 /nfs/dbraw/zinc/21/08/58/1349210858.db2.gz KPXDYPMWUTZBPI-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223275 1349218245 /nfs/dbraw/zinc/21/82/45/1349218245.db2.gz RVXBOZIICSTPQJ-OAQYLSRUSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245230 1349238818 /nfs/dbraw/zinc/23/88/18/1349238818.db2.gz QKUXARJFWWWAOS-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC001054274037 1349274248 /nfs/dbraw/zinc/27/42/48/1349274248.db2.gz OBDGHUDBRZBFHS-UHFFFAOYSA-N 2 0 348.450 3.380 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080050621 1357468283 /nfs/dbraw/zinc/46/82/83/1357468283.db2.gz CJYKSUSHSGJJEA-GQIGUUNPSA-N 2 0 348.450 3.146 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318256 1357571913 /nfs/dbraw/zinc/57/19/13/1357571913.db2.gz LWHSEDCFONJYDJ-RLLQIKCJSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001080318469 1357572331 /nfs/dbraw/zinc/57/23/31/1357572331.db2.gz STEHAXZBBWGVMZ-NSISKUIASA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001071508720 1354733708 /nfs/dbraw/zinc/73/37/08/1354733708.db2.gz SHWJSDDBPVHQQM-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1Cc1ccccc1 ZINC001071653043 1354828805 /nfs/dbraw/zinc/82/88/05/1354828805.db2.gz RLCHQYQRGKTODJ-LPHOPBHVSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071871994 1354996876 /nfs/dbraw/zinc/99/68/76/1354996876.db2.gz KPSDSEPKPQBXMR-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071897847 1355012974 /nfs/dbraw/zinc/01/29/74/1355012974.db2.gz QDQYRDOYQBNIKE-FXAWDEMLSA-N 2 0 345.531 3.377 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096359 1355127639 /nfs/dbraw/zinc/12/76/39/1355127639.db2.gz YBWBHMWXDZSQBN-FXAWDEMLSA-N 2 0 343.515 3.297 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099700 1355129972 /nfs/dbraw/zinc/12/99/72/1355129972.db2.gz VXIJODQPIBWNJW-FUHWJXTLSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001072301112 1355228771 /nfs/dbraw/zinc/22/87/71/1355228771.db2.gz NMTCRUMCPUZMCF-MJGOQNOKSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCC2)C1 ZINC001074056050 1356059188 /nfs/dbraw/zinc/05/91/88/1356059188.db2.gz WSXXXTOOVRAHOP-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)[C@@H]1C)[NH+](C)C ZINC001074709951 1356227950 /nfs/dbraw/zinc/22/79/50/1356227950.db2.gz XKNDRWXKGSJLDF-QGZVKYPTSA-N 2 0 345.531 3.284 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001074877693 1356276735 /nfs/dbraw/zinc/27/67/35/1356276735.db2.gz HMIFFVGIQIFJLS-LNLFQRSKSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)[C@@H]1C)[NH+](C)C ZINC001074885789 1356279624 /nfs/dbraw/zinc/27/96/24/1356279624.db2.gz XKNDRWXKGSJLDF-UMGGQSCQSA-N 2 0 345.531 3.284 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457541 1356389546 /nfs/dbraw/zinc/38/95/46/1356389546.db2.gz VLKMRXXSBXXJTF-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183256391 1387286385 /nfs/dbraw/zinc/28/63/85/1387286385.db2.gz VIGKUYNBHQNCTN-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001082559222 1358057112 /nfs/dbraw/zinc/05/71/12/1358057112.db2.gz YFQXXALCKZWOKU-NSISKUIASA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082705766 1358078551 /nfs/dbraw/zinc/07/85/51/1358078551.db2.gz ZSBKWHDOOMMESP-LCLWPZTBSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)c1ccccc1 ZINC001082942770 1358107165 /nfs/dbraw/zinc/10/71/65/1358107165.db2.gz UTDACHDCRFURMU-QWFCFKBJSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603817 1358254086 /nfs/dbraw/zinc/25/40/86/1358254086.db2.gz MNEQSRUBEVHYMG-YZGWKJHDSA-N 2 0 347.547 3.116 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199362 1358432106 /nfs/dbraw/zinc/43/21/06/1358432106.db2.gz IFDVUPLKDYLHRF-MISYRCLQSA-N 2 0 347.547 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085245838 1358443348 /nfs/dbraw/zinc/44/33/48/1358443348.db2.gz PDWBRFGPJRFFFV-VAMGGRTRSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085334293 1358470036 /nfs/dbraw/zinc/47/00/36/1358470036.db2.gz DNGNRSZVXVGHIS-WOJBJXKFSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)C2)CC1 ZINC001085380865 1358483169 /nfs/dbraw/zinc/48/31/69/1358483169.db2.gz VONBMXHRWOGTFU-OTGCGEFBSA-N 2 0 349.563 3.170 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085432481 1358498239 /nfs/dbraw/zinc/49/82/39/1358498239.db2.gz ZOXVHVBZQZAFGK-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085432435 1358498505 /nfs/dbraw/zinc/49/85/05/1358498505.db2.gz XRYZFVIJOCIXQC-WOJBJXKFSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085593574 1358620000 /nfs/dbraw/zinc/62/00/00/1358620000.db2.gz MITYCVHQGLFQLY-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001085605179 1358627678 /nfs/dbraw/zinc/62/76/78/1358627678.db2.gz BZPBQFXNYGIZBM-NZSAHSFTSA-N 2 0 349.563 3.076 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085638839 1358652396 /nfs/dbraw/zinc/65/23/96/1358652396.db2.gz BSKBECCNEAZCHF-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085687551 1358688547 /nfs/dbraw/zinc/68/85/47/1358688547.db2.gz QNLADQXKBHBVLS-PMACEKPBSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001085778751 1358753635 /nfs/dbraw/zinc/75/36/35/1358753635.db2.gz GMHLEOBGVZRMLC-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCCC2)CC1 ZINC001085902987 1358860794 /nfs/dbraw/zinc/86/07/94/1358860794.db2.gz RYHWORZJBSCHIE-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)C ZINC001085919046 1358878773 /nfs/dbraw/zinc/87/87/73/1358878773.db2.gz RHVZLIKMABBMCC-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CC2)o1 ZINC001085994857 1358950256 /nfs/dbraw/zinc/95/02/56/1358950256.db2.gz WVDALRAUQKXHKI-QGZVFWFLSA-N 2 0 347.503 3.068 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001086222102 1359032000 /nfs/dbraw/zinc/03/20/00/1359032000.db2.gz ZSUJKPIZVFKBMQ-ZGXWSNOMSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086382397 1359083549 /nfs/dbraw/zinc/08/35/49/1359083549.db2.gz FQISUIWKNHPFTE-VAMGGRTRSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086477854 1359113791 /nfs/dbraw/zinc/11/37/91/1359113791.db2.gz ASVRKZPHANJVDX-VBSBHUPXSA-N 2 0 349.563 3.029 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086530770 1359133888 /nfs/dbraw/zinc/13/38/88/1359133888.db2.gz QJGHIKDBGMCRBR-WFAGLZIHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086711791 1359190505 /nfs/dbraw/zinc/19/05/05/1359190505.db2.gz BLXCTGUAWXREFB-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907783 1359236138 /nfs/dbraw/zinc/23/61/38/1359236138.db2.gz BNYSCOREVKADKI-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086938519 1359261105 /nfs/dbraw/zinc/26/11/05/1359261105.db2.gz SLSYEAGHGMLALQ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086938517 1359261139 /nfs/dbraw/zinc/26/11/39/1359261139.db2.gz SLSYEAGHGMLALQ-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942722 1359263998 /nfs/dbraw/zinc/26/39/98/1359263998.db2.gz YYDXXESQKRDKAO-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001087214725 1359323080 /nfs/dbraw/zinc/32/30/80/1359323080.db2.gz LDUCTSHNUWKTPF-NEWSRXKRSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCCC1)[NH+](C)C ZINC001087214606 1359323191 /nfs/dbraw/zinc/32/31/91/1359323191.db2.gz FIHCVGNUXLIWCD-NEWSRXKRSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)C ZINC001087602441 1359550580 /nfs/dbraw/zinc/55/05/80/1359550580.db2.gz PULUPTJMOQOSQY-IPMKNSEASA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634618 1359565587 /nfs/dbraw/zinc/56/55/87/1359565587.db2.gz KSFGHFURSBWTRO-MDASCCDHSA-N 2 0 342.487 3.272 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CCCCC1 ZINC001087640477 1359566799 /nfs/dbraw/zinc/56/67/99/1359566799.db2.gz FOLBCSPHNPJSKG-RBUKOAKNSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001087749738 1359626182 /nfs/dbraw/zinc/62/61/82/1359626182.db2.gz XNZYJBIZIUHGMK-YSIASYRMSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087963691 1359720005 /nfs/dbraw/zinc/72/00/05/1359720005.db2.gz CNYFPXLSPVWROT-AABGKKOBSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327335 1359831203 /nfs/dbraw/zinc/83/12/03/1359831203.db2.gz LCXFVYZSNFJWAD-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001088376979 1359859305 /nfs/dbraw/zinc/85/93/05/1359859305.db2.gz WSXPLKOYLULGOC-VQTJNVASSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088382025 1359865204 /nfs/dbraw/zinc/86/52/04/1359865204.db2.gz SFEPSBOUOYZLMY-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001088382512 1359865510 /nfs/dbraw/zinc/86/55/10/1359865510.db2.gz CZCYEDDPZWLWNY-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399981 1359875030 /nfs/dbraw/zinc/87/50/30/1359875030.db2.gz ZGRAREFDJNFCJU-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088426014 1359894461 /nfs/dbraw/zinc/89/44/61/1359894461.db2.gz JITCGFUSACCAQY-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@@H]([NH2+]CC3CC3)C2)c1 ZINC001088430146 1359897301 /nfs/dbraw/zinc/89/73/01/1359897301.db2.gz IUJPCYAWXQXJGR-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088430794 1359898499 /nfs/dbraw/zinc/89/84/99/1359898499.db2.gz YQDXWVJQZXCDEX-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088563394 1359974800 /nfs/dbraw/zinc/97/48/00/1359974800.db2.gz PBKGDUKOYSNCKJ-NEWSRXKRSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088693187 1360015650 /nfs/dbraw/zinc/01/56/50/1360015650.db2.gz ONGPSTXCAUMAOH-NEWSRXKRSA-N 2 0 349.563 3.122 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CCCCCC1 ZINC001088702728 1360016030 /nfs/dbraw/zinc/01/60/30/1360016030.db2.gz GBGDZNQVEXJUSC-MJGOQNOKSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC1CCCCC1 ZINC001088702700 1360016392 /nfs/dbraw/zinc/01/63/92/1360016392.db2.gz DIHPUXJCJSZYBR-MJGOQNOKSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001088768904 1360036639 /nfs/dbraw/zinc/03/66/39/1360036639.db2.gz JMWMNLLPELHJLZ-UXPWSPDFSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088810288 1360058841 /nfs/dbraw/zinc/05/88/41/1360058841.db2.gz UPIUOIYBAGGNAV-HOJAQTOUSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812291 1360059939 /nfs/dbraw/zinc/05/99/39/1360059939.db2.gz WURXYDDLNGXZTH-NZSAHSFTSA-N 2 0 335.536 3.163 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897401 1360097403 /nfs/dbraw/zinc/09/74/03/1360097403.db2.gz IECSENWGVNZHOH-HBFSDRIKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088898541 1360097758 /nfs/dbraw/zinc/09/77/58/1360097758.db2.gz JTEKHRULQANUIJ-YZGWKJHDSA-N 2 0 347.547 3.329 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001089060908 1360152086 /nfs/dbraw/zinc/15/20/86/1360152086.db2.gz MQDAVTWNCSELEH-NEWSRXKRSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H]2C)o1 ZINC001089070711 1360159996 /nfs/dbraw/zinc/15/99/96/1360159996.db2.gz UTZYAQZGRHNFHF-AEFFLSMTSA-N 2 0 349.519 3.360 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccsc1)C1CCC1 ZINC001089186615 1360237239 /nfs/dbraw/zinc/23/72/39/1360237239.db2.gz JLMFBLAFOQKRLO-SFHVURJKSA-N 2 0 349.544 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334963 1360348940 /nfs/dbraw/zinc/34/89/40/1360348940.db2.gz LSAKMKPYQDEMAP-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382495 1360384270 /nfs/dbraw/zinc/38/42/70/1360384270.db2.gz RTHNTJKKBFAZBO-MSOLQXFVSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089407278 1360406031 /nfs/dbraw/zinc/40/60/31/1360406031.db2.gz XUHYUSMVPPZDPC-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089428030 1360420358 /nfs/dbraw/zinc/42/03/58/1360420358.db2.gz VPSHWQAWQPTZRZ-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445394 1360434459 /nfs/dbraw/zinc/43/44/59/1360434459.db2.gz HSWKZBQFVBIQRY-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC(C)(C)C1 ZINC001089446473 1360435576 /nfs/dbraw/zinc/43/55/76/1360435576.db2.gz WXPNJIGHJGPGMA-GOSISDBHSA-N 2 0 345.531 3.031 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)CC1 ZINC001089509148 1360481054 /nfs/dbraw/zinc/48/10/54/1360481054.db2.gz FXRIZPZSKHTUEE-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089511813 1360483396 /nfs/dbraw/zinc/48/33/96/1360483396.db2.gz VVYJHCBEVDKXRQ-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558235 1360507246 /nfs/dbraw/zinc/50/72/46/1360507246.db2.gz GBPJNCVUDJYRPP-MOPGFXCFSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558583 1360507796 /nfs/dbraw/zinc/50/77/96/1360507796.db2.gz IZKHTWWVFXSZOD-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC)CC(C)(C)C2)o1 ZINC001089565096 1360511342 /nfs/dbraw/zinc/51/13/42/1360511342.db2.gz MWJVJEHUZSWEAJ-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCCC1 ZINC001089615744 1360536450 /nfs/dbraw/zinc/53/64/50/1360536450.db2.gz BERDADAZIVNNJM-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642077 1360555404 /nfs/dbraw/zinc/55/54/04/1360555404.db2.gz ASJZYLGTAOHKTD-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646031 1360558211 /nfs/dbraw/zinc/55/82/11/1360558211.db2.gz HGICZMXBCRMIGG-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[N@H+](CCC2CC2)C1 ZINC001089665323 1360575969 /nfs/dbraw/zinc/57/59/69/1360575969.db2.gz VQGCKKDFAKRLMB-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC ZINC001089721720 1360624263 /nfs/dbraw/zinc/62/42/63/1360624263.db2.gz JSPDXVDVIZFBRX-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089733727 1360637299 /nfs/dbraw/zinc/63/72/99/1360637299.db2.gz AIRXPLMBVBMMGV-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089734110 1360638644 /nfs/dbraw/zinc/63/86/44/1360638644.db2.gz ITAJBEVCJMQZHW-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC1=C[C@@H]2[C@H]([C@@H](C)C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC[C@@H](C)[C@@H]2CC1 ZINC001184503443 1387476702 /nfs/dbraw/zinc/47/67/02/1387476702.db2.gz JVQFYBHYICELTF-ZBRFXRBCSA-N 2 0 348.535 3.102 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091059601 1360987870 /nfs/dbraw/zinc/98/78/70/1360987870.db2.gz SCYSEHWHHRHVGM-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001091202163 1361005725 /nfs/dbraw/zinc/00/57/25/1361005725.db2.gz RVSSHZOHFRZWOO-VHBXLISGSA-N 2 0 347.547 3.092 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184557216 1387491857 /nfs/dbraw/zinc/49/18/57/1387491857.db2.gz UHEYPCQXOFTMGN-XSAZBNQGSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C[NH2+]CCCC1CCC1 ZINC001184565341 1387493315 /nfs/dbraw/zinc/49/33/15/1387493315.db2.gz IGLTXHHBXAFBKK-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001184565340 1387493414 /nfs/dbraw/zinc/49/34/14/1387493414.db2.gz IGLTXHHBXAFBKK-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091721278 1361191643 /nfs/dbraw/zinc/19/16/43/1361191643.db2.gz YSNVUWXDCWXIGH-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)C1CCCCC1 ZINC001184609510 1387500165 /nfs/dbraw/zinc/50/01/65/1387500165.db2.gz OELULXSVEVVBLJ-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184711940 1387517018 /nfs/dbraw/zinc/51/70/18/1387517018.db2.gz IEUCNTGHDHMRHV-VCVRMXLYSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095534026 1362163586 /nfs/dbraw/zinc/16/35/86/1362163586.db2.gz XABATMRWKGEJLH-RDGPPVDQSA-N 2 0 335.536 3.017 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095668401 1362198702 /nfs/dbraw/zinc/19/87/02/1362198702.db2.gz OLYVFUJPLGZARC-XWSJACJDSA-N 2 0 349.563 3.265 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001185032176 1387592116 /nfs/dbraw/zinc/59/21/16/1387592116.db2.gz UIHMHUXBXSEWDG-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1cc(C)cc(C[NH+]2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001324328666 1387592642 /nfs/dbraw/zinc/59/26/42/1387592642.db2.gz BXXKBXXXDRWDGO-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CCc1ccc(C[NH+]2CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC2)cc1 ZINC001324335313 1387596281 /nfs/dbraw/zinc/59/62/81/1387596281.db2.gz PSTJZUGHKJNLDY-IBGZPJMESA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)[NH+]1CCCC1 ZINC001097639382 1363086094 /nfs/dbraw/zinc/08/60/94/1363086094.db2.gz RGUMGHKASRAZCC-QRVBRYPASA-N 2 0 347.547 3.163 20 0 EGADRP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)C1CCCC1 ZINC001098826692 1363484072 /nfs/dbraw/zinc/48/40/72/1363484072.db2.gz NLODKOXSNLAYPD-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098975125 1363549635 /nfs/dbraw/zinc/54/96/35/1363549635.db2.gz DNCQIQMXUIMFHS-ZSQQTYLHSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976245 1363551678 /nfs/dbraw/zinc/55/16/78/1363551678.db2.gz RMEIEXDBWUANDP-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC[C@H](C)F ZINC001099131301 1363643462 /nfs/dbraw/zinc/64/34/62/1363643462.db2.gz ZQECGRMTMQCZGV-JKSUJKDBSA-N 2 0 343.531 3.072 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC[C@H](C)F ZINC001099320360 1363748527 /nfs/dbraw/zinc/74/85/27/1363748527.db2.gz ITYCCSIYSSPHEU-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)C[NH+]2CCCC2)[N@H+](CC2=CCCCC2)C1 ZINC001099339339 1363759851 /nfs/dbraw/zinc/75/98/51/1363759851.db2.gz HBCVKRZQTZMSJT-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340316 1363760435 /nfs/dbraw/zinc/76/04/35/1363760435.db2.gz RLSAMJAWGGJGSU-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1)C1CCCC1)[NH+](C)C ZINC001324497633 1387651286 /nfs/dbraw/zinc/65/12/86/1387651286.db2.gz MNSYJRRPTGWGNB-UXHICEINSA-N 2 0 345.531 3.100 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405796 1364104143 /nfs/dbraw/zinc/10/41/43/1364104143.db2.gz MWJKHBHSXIDDLA-AOCRQIFASA-N 2 0 343.515 3.025 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480142 1364129169 /nfs/dbraw/zinc/12/91/69/1364129169.db2.gz FKVIXZPXPHCVKW-PLNGDYQASA-N 2 0 340.471 3.179 20 0 EGADRP CC(C)=CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536069 1364150759 /nfs/dbraw/zinc/15/07/59/1364150759.db2.gz IXGZAYKMPGGLSV-UHFFFAOYSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001101037472 1364384054 /nfs/dbraw/zinc/38/40/54/1364384054.db2.gz OJYRBKFINZSAPA-SOAGJPPSSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001101060102 1364395956 /nfs/dbraw/zinc/39/59/56/1364395956.db2.gz LZIWMZOPGCICNS-KLAILNCOSA-N 2 0 349.519 3.266 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC)[C@@H](C)C1 ZINC001185316008 1387680838 /nfs/dbraw/zinc/68/08/38/1387680838.db2.gz BEDMDYJAHMWGIA-RBUKOAKNSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312582 1364505986 /nfs/dbraw/zinc/50/59/86/1364505986.db2.gz AKYGYBMQJFXSHY-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101361703 1364528025 /nfs/dbraw/zinc/52/80/25/1364528025.db2.gz CFJRRYOACMPFTM-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001101568086 1364624063 /nfs/dbraw/zinc/62/40/63/1364624063.db2.gz MWACJEXXCHEOTM-UHFFFAOYSA-N 2 0 349.519 3.219 20 0 EGADRP CCC(CC)C[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001101569569 1364624355 /nfs/dbraw/zinc/62/43/55/1364624355.db2.gz GHDRRGAQCWYHQK-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001101575895 1364629786 /nfs/dbraw/zinc/62/97/86/1364629786.db2.gz LMEQXERPGAUJRG-WMZOPIPTSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001101590147 1364640695 /nfs/dbraw/zinc/64/06/95/1364640695.db2.gz AWFLCSUAOLUWAF-UHFFFAOYSA-N 2 0 346.519 3.026 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051732 1364823240 /nfs/dbraw/zinc/82/32/40/1364823240.db2.gz JDBOPKHOXWPMSV-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102062028 1364829391 /nfs/dbraw/zinc/82/93/91/1364829391.db2.gz RTBSXBDHDHYOGY-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1cccc2ccccc21 ZINC001185400591 1387705686 /nfs/dbraw/zinc/70/56/86/1387705686.db2.gz DWELWLNAZXHIRB-FUHWJXTLSA-N 2 0 339.483 3.043 20 0 EGADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001102366781 1365025922 /nfs/dbraw/zinc/02/59/22/1365025922.db2.gz QFIQDDYTWOZMNH-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520433 1365097029 /nfs/dbraw/zinc/09/70/29/1365097029.db2.gz KBAFXIQAADNGES-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524691 1365099133 /nfs/dbraw/zinc/09/91/33/1365099133.db2.gz RFJQADKOMITFCJ-TYFAACHXSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977216 1365324519 /nfs/dbraw/zinc/32/45/19/1365324519.db2.gz RCBFISHVFKZJTK-AHSYYPKJSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083744 1365371552 /nfs/dbraw/zinc/37/15/52/1365371552.db2.gz HOTIDBGWJSXZAE-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087786 1365374415 /nfs/dbraw/zinc/37/44/15/1365374415.db2.gz NPZITLHIBTYWRG-YZHDCRMKSA-N 2 0 349.563 3.147 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185527834 1387739629 /nfs/dbraw/zinc/73/96/29/1387739629.db2.gz VIEMLHJUPORGSH-IEBWSBKVSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185546835 1387745059 /nfs/dbraw/zinc/74/50/59/1387745059.db2.gz DSHUDWUTNSAKDV-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435917 1365558942 /nfs/dbraw/zinc/55/89/42/1365558942.db2.gz DIPBPQIFAJVALX-STEYPSJLSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103664435 1365712539 /nfs/dbraw/zinc/71/25/39/1365712539.db2.gz BQWVKAPCXGPWLG-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185486 1365941311 /nfs/dbraw/zinc/94/13/11/1365941311.db2.gz FSFJDGNREIAVDK-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104354844 1365983588 /nfs/dbraw/zinc/98/35/88/1365983588.db2.gz BSYMFKHSXDHXLH-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104354843 1365983889 /nfs/dbraw/zinc/98/38/89/1365983889.db2.gz BSYMFKHSXDHXLH-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385127 1365997483 /nfs/dbraw/zinc/99/74/83/1365997483.db2.gz CSAUOUATKYLSNE-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104641152 1366115719 /nfs/dbraw/zinc/11/57/19/1366115719.db2.gz BGHVCRUYTAPTGU-OKMMTOMJSA-N 2 0 337.552 3.003 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001104932927 1366229612 /nfs/dbraw/zinc/22/96/12/1366229612.db2.gz VXRKJRGSSIOOIS-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105064503 1366302403 /nfs/dbraw/zinc/30/24/03/1366302403.db2.gz SAYSHKYPDOMIAZ-FAPWYTRCSA-N 2 0 337.552 3.147 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105518020 1366505106 /nfs/dbraw/zinc/50/51/06/1366505106.db2.gz PBBOXRFRNAAFTJ-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518301 1366505192 /nfs/dbraw/zinc/50/51/92/1366505192.db2.gz WFBWLPRLCSJKND-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541455 1366520138 /nfs/dbraw/zinc/52/01/38/1366520138.db2.gz ALUZOKONXKWIPC-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001105556413 1366529480 /nfs/dbraw/zinc/52/94/80/1366529480.db2.gz FLXOLVYNGNHUEV-FHWLQOOXSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576617 1366541026 /nfs/dbraw/zinc/54/10/26/1366541026.db2.gz JIMFVRKRQUIGLQ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106111714 1366612300 /nfs/dbraw/zinc/61/23/00/1366612300.db2.gz PYCCWRXHMGZWTO-ODWICZQRSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106133998 1366613721 /nfs/dbraw/zinc/61/37/21/1366613721.db2.gz UZQDNWPCNRTPGO-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249588 1366633848 /nfs/dbraw/zinc/63/38/48/1366633848.db2.gz LLPHBQXANNJPHK-GGPKGHCWSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357954 1366668399 /nfs/dbraw/zinc/66/83/99/1366668399.db2.gz QQIGAXWNEDECDF-VJQBDMSCSA-N 2 0 349.563 3.147 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667954 1366769240 /nfs/dbraw/zinc/76/92/40/1366769240.db2.gz DOYKVSNBGFCICZ-YZBXUTEPSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729743 1366782895 /nfs/dbraw/zinc/78/28/95/1366782895.db2.gz XNLJQEABENDMCH-JCHUFIKGSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435932 1366962777 /nfs/dbraw/zinc/96/27/77/1366962777.db2.gz GDYDWHOMVWVSRO-SFHLNBCPSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439331 1366963811 /nfs/dbraw/zinc/96/38/11/1366963811.db2.gz WEFLKZQUALOGBS-SVFBPWRDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)C1 ZINC001107546723 1367037285 /nfs/dbraw/zinc/03/72/85/1367037285.db2.gz MVUZBNMKEQUWNA-WAOWUJCRSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547853 1367037422 /nfs/dbraw/zinc/03/74/22/1367037422.db2.gz YZVOGPNKOQNKQN-SFHLNBCPSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552908 1367039411 /nfs/dbraw/zinc/03/94/11/1367039411.db2.gz XNYOVSYQKQYOAS-WIYYLYMNSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582991 1367057309 /nfs/dbraw/zinc/05/73/09/1367057309.db2.gz JOGUVOINRMUXSH-PORCLINASA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587651 1367059095 /nfs/dbraw/zinc/05/90/95/1367059095.db2.gz UCUCSWIUFNNNQO-TZIWHRDSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](C[C@H](C)CC)CC2 ZINC001107616237 1367074950 /nfs/dbraw/zinc/07/49/50/1367074950.db2.gz ZDAUELXSEPNPNC-QWFCFKBJSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443006 1367123376 /nfs/dbraw/zinc/12/33/76/1367123376.db2.gz RFYXKMJARXALNI-QYZOEREBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443198 1367123549 /nfs/dbraw/zinc/12/35/49/1367123549.db2.gz YKDKMJIQWKZCEW-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001324962400 1387857508 /nfs/dbraw/zinc/85/75/08/1387857508.db2.gz ZUAJGOVTWMHECS-NRFANRHFSA-N 2 0 345.531 3.033 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652691 1367265273 /nfs/dbraw/zinc/26/52/73/1367265273.db2.gz FKKGVYWYDYQMRB-HNJRGHQBSA-N 2 0 343.515 3.119 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798594 1367328611 /nfs/dbraw/zinc/32/86/11/1367328611.db2.gz JUDIOELLUJHNLX-FUMNGEBKSA-N 2 0 349.563 3.407 20 0 EGADRP Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)ccc2c[nH+]cn21 ZINC001324978287 1387869483 /nfs/dbraw/zinc/86/94/83/1387869483.db2.gz VCFKSLHNFGEHCR-LJQANCHMSA-N 2 0 342.487 3.129 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001191029666 1367405002 /nfs/dbraw/zinc/40/50/02/1367405002.db2.gz LEQLKWNSJMMKFL-DAWZGUTISA-N 2 0 337.552 3.076 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162217 1367436617 /nfs/dbraw/zinc/43/66/17/1367436617.db2.gz NAIWUUQHBGPZGM-DUMMIQTOSA-N 2 0 340.471 3.227 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507042 1367517553 /nfs/dbraw/zinc/51/75/53/1367517553.db2.gz GVFINDSZGZDFMH-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153621 1367527749 /nfs/dbraw/zinc/52/77/49/1367527749.db2.gz DHFYNGRSQNCMEW-GUDQURTESA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)CCCC1 ZINC001191561500 1367528782 /nfs/dbraw/zinc/52/87/82/1367528782.db2.gz PDPURIAKJKKBBA-KRWDZBQOSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C(C)C)C3)c1 ZINC001110157487 1367529741 /nfs/dbraw/zinc/52/97/41/1367529741.db2.gz REXOAOIRQGQISN-LMCOJAPRSA-N 2 0 343.515 3.118 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161410 1367534624 /nfs/dbraw/zinc/53/46/24/1367534624.db2.gz DJBSZMXBFCDJGD-FYQPLNBISA-N 2 0 349.563 3.409 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717155 1367553973 /nfs/dbraw/zinc/55/39/73/1367553973.db2.gz BQGLMMWDCAPXSB-YHROWNBBSA-N 2 0 349.563 3.432 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108784127 1367594859 /nfs/dbraw/zinc/59/48/59/1367594859.db2.gz JGGNRHDVCZMTOE-GYMRMKKLSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803681 1367606141 /nfs/dbraw/zinc/60/61/41/1367606141.db2.gz FVQZEIMZUCZSGX-PCUMXMLJSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108827812 1367623269 /nfs/dbraw/zinc/62/32/69/1367623269.db2.gz BOUSZNOPXVJJOP-OTWHNJEPSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016960 1367665531 /nfs/dbraw/zinc/66/55/31/1367665531.db2.gz KLWNNAGIUGZKCL-MOPGFXCFSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193279989 1367987561 /nfs/dbraw/zinc/98/75/61/1367987561.db2.gz SDUURUBPXONGRI-RTBURBONSA-N 2 0 349.494 3.151 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1 ZINC001193383696 1368016906 /nfs/dbraw/zinc/01/69/06/1368016906.db2.gz WRONVQVBDSEFTE-OALUTQOASA-N 2 0 335.536 3.140 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001193423930 1368027486 /nfs/dbraw/zinc/02/74/86/1368027486.db2.gz HVSAIDKHSYZQQN-RBUKOAKNSA-N 2 0 339.568 3.467 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857634 1368037521 /nfs/dbraw/zinc/03/75/21/1368037521.db2.gz LISVZEJCRWQLJA-KURKYZTESA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558965 1368061202 /nfs/dbraw/zinc/06/12/02/1368061202.db2.gz FVWLLIXCRXLSJD-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001193609483 1368072817 /nfs/dbraw/zinc/07/28/17/1368072817.db2.gz BJHZZNLUOWCVFN-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193610458 1368072916 /nfs/dbraw/zinc/07/29/16/1368072916.db2.gz PHYXYTPLDWPAOR-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001111017908 1368143589 /nfs/dbraw/zinc/14/35/89/1368143589.db2.gz GHSLBHHGOJRZIZ-YRXWBPOGSA-N 2 0 349.563 3.265 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018450 1368143897 /nfs/dbraw/zinc/14/38/97/1368143897.db2.gz VJRDJWHQJJKHMR-MKXGPGLRSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001111018266 1368144462 /nfs/dbraw/zinc/14/44/62/1368144462.db2.gz OOQMGPSCDOHQDI-MKXGPGLRSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111024992 1368145011 /nfs/dbraw/zinc/14/50/11/1368145011.db2.gz GJGSPLBGQGRXQR-KURKYZTESA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1)CC(C)(C)C ZINC001111030843 1368147222 /nfs/dbraw/zinc/14/72/22/1368147222.db2.gz GUKCLEJZDQBARW-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230153 1368206022 /nfs/dbraw/zinc/20/60/22/1368206022.db2.gz IAPHLWGRDPWJLH-ZRNYENFQSA-N 2 0 343.515 3.201 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227912 1368213396 /nfs/dbraw/zinc/21/33/96/1368213396.db2.gz OHIAUPLQJLTXTI-YJJPMGAVSA-N 2 0 343.515 3.251 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273807 1368220691 /nfs/dbraw/zinc/22/06/91/1368220691.db2.gz BDWYTUZEXPTHCT-KGMDJONISA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275720 1368222785 /nfs/dbraw/zinc/22/27/85/1368222785.db2.gz XMJAKSMETXHZGS-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001194286178 1368224773 /nfs/dbraw/zinc/22/47/73/1368224773.db2.gz WJYRGWUPZWIGFX-SFHVURJKSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH+](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001194293775 1368225132 /nfs/dbraw/zinc/22/51/32/1368225132.db2.gz JAAMSMWVPYQCDK-RBUKOAKNSA-N 2 0 345.531 3.237 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001194296086 1368225686 /nfs/dbraw/zinc/22/56/86/1368225686.db2.gz VSDHCYWLVYFKEI-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)cc1 ZINC001186356154 1387928166 /nfs/dbraw/zinc/92/81/66/1387928166.db2.gz SXYMPYOQCFFSDF-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429100 1368258945 /nfs/dbraw/zinc/25/89/45/1368258945.db2.gz FGGHZXZTSINNPJ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001195334903 1368422566 /nfs/dbraw/zinc/42/25/66/1368422566.db2.gz YLROJKSVDUNTHZ-CZAYHTPWSA-N 2 0 341.543 3.171 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCC2CC2)C3)CCCC1 ZINC001111820907 1368482327 /nfs/dbraw/zinc/48/23/27/1368482327.db2.gz ALQFVYSHXKTXJI-RXVVDRJESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865429 1368506360 /nfs/dbraw/zinc/50/63/60/1368506360.db2.gz KFEOIBMVVKQZTR-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870591 1368518636 /nfs/dbraw/zinc/51/86/36/1368518636.db2.gz FKWNEXMHIHNJSH-NGVHCFEESA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196060560 1368542650 /nfs/dbraw/zinc/54/26/50/1368542650.db2.gz ZNQWFOOBJWIHLO-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC1CC(C[N@@H+]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)C1 ZINC001196642064 1368654344 /nfs/dbraw/zinc/65/43/44/1368654344.db2.gz YPCWEYHGIFFYTA-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1)[NH+](CC)CC ZINC001197141067 1368753412 /nfs/dbraw/zinc/75/34/12/1368753412.db2.gz AAZRQWYMLGSQIM-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001197141590 1368753734 /nfs/dbraw/zinc/75/37/34/1368753734.db2.gz JUADPFRHWAYDMR-ICSRJNTNSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001112354479 1368786504 /nfs/dbraw/zinc/78/65/04/1368786504.db2.gz LCQRKWBSLJTTOH-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410825 1368830429 /nfs/dbraw/zinc/83/04/29/1368830429.db2.gz QZDXXWQGZSMREH-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2cccc(CC)c2)CC1 ZINC001197907486 1368922697 /nfs/dbraw/zinc/92/26/97/1368922697.db2.gz FWSMUEBGLZULHH-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCC2)C1 ZINC001112565517 1368930117 /nfs/dbraw/zinc/93/01/17/1368930117.db2.gz GHQFYQSVYHQHPQ-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258808 1368991983 /nfs/dbraw/zinc/99/19/83/1368991983.db2.gz GQLJWZALCRCVAJ-HCZHMGAMSA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001325458227 1387979634 /nfs/dbraw/zinc/97/96/34/1387979634.db2.gz VKIRNSAGCQQLSK-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186604917 1387983852 /nfs/dbraw/zinc/98/38/52/1387983852.db2.gz IFDHVPAYBXGUDH-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC(=O)N1CC[NH+](CC2CCCCCC2)CC1)CC(C)(C)C ZINC001113352878 1369364789 /nfs/dbraw/zinc/36/47/89/1369364789.db2.gz BARUCCRLDYBAMH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001200578590 1369393936 /nfs/dbraw/zinc/39/39/36/1369393936.db2.gz XSOBNYLBKOPGLF-WAYWQWQTSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)C[C@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)n1ccnc1 ZINC001201182588 1369491249 /nfs/dbraw/zinc/49/12/49/1369491249.db2.gz JELLMNIOKQTJFF-LJQANCHMSA-N 2 0 346.519 3.241 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001201321520 1369519265 /nfs/dbraw/zinc/51/92/65/1369519265.db2.gz OKBQCOTVHIAJES-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)(C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201436000 1369544880 /nfs/dbraw/zinc/54/48/80/1369544880.db2.gz PYDHSIMXGNZLLM-QYZOEREBSA-N 2 0 330.520 3.104 20 0 EGADRP C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325605990 1388009958 /nfs/dbraw/zinc/00/99/58/1388009958.db2.gz ILLRBDGEHIHWED-MJUUVYJYSA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)=CCC[C@@H](C)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001201496152 1369558039 /nfs/dbraw/zinc/55/80/39/1369558039.db2.gz KZPYEHUTBALGTQ-QGZVFWFLSA-N 2 0 335.536 3.031 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201508517 1369560470 /nfs/dbraw/zinc/56/04/70/1369560470.db2.gz GEGTUXQSVVGWGY-LMCOJAPRSA-N 2 0 330.520 3.104 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001113682768 1369564140 /nfs/dbraw/zinc/56/41/40/1369564140.db2.gz RGBZMYNQVZKLJA-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001201549774 1369572811 /nfs/dbraw/zinc/57/28/11/1369572811.db2.gz CIKCMVUZJXCTBU-LJQANCHMSA-N 2 0 345.531 3.432 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201620694 1369592132 /nfs/dbraw/zinc/59/21/32/1369592132.db2.gz ZFAUVFYQQNRRED-UHFFFAOYSA-N 2 0 328.460 3.109 20 0 EGADRP Cc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1OC(F)F ZINC001201667907 1369601473 /nfs/dbraw/zinc/60/14/73/1369601473.db2.gz LIHOVKBFENXXOV-UHFFFAOYSA-N 2 0 348.397 3.487 20 0 EGADRP COc1cc2cccnc2c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201666672 1369602116 /nfs/dbraw/zinc/60/21/16/1369602116.db2.gz VLCGUHBWKUBKKA-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP C[N@H+](CCC(=O)N1CCC([NH2+]CC2CCCC2)CC1)C1CCCCC1 ZINC001201818589 1369628530 /nfs/dbraw/zinc/62/85/30/1369628530.db2.gz QYMXKHNPAFHYRS-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001202474312 1369783160 /nfs/dbraw/zinc/78/31/60/1369783160.db2.gz YVJGVBNCUAHEJM-PKOBYXMFSA-N 2 0 339.568 3.370 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001202518096 1369796891 /nfs/dbraw/zinc/79/68/91/1369796891.db2.gz MAJNFVPBNVVVSB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001202539153 1369802757 /nfs/dbraw/zinc/80/27/57/1369802757.db2.gz KOZURBSWXUKMBN-KRWDZBQOSA-N 2 0 339.568 3.227 20 0 EGADRP CN(C)c1cc[nH+]cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186916679 1388028735 /nfs/dbraw/zinc/02/87/35/1388028735.db2.gz FCQRHBVGEYXKCJ-UHFFFAOYSA-N 2 0 338.455 3.386 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202872598 1369914283 /nfs/dbraw/zinc/91/42/83/1369914283.db2.gz IUPDAKUOFZFRHO-RBUKOAKNSA-N 2 0 335.536 3.164 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202872522 1369914327 /nfs/dbraw/zinc/91/43/27/1369914327.db2.gz HGBSIYUHDIFCEJ-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203100935 1369983075 /nfs/dbraw/zinc/98/30/75/1369983075.db2.gz BVUODTUCTPNMRC-ROUUACIJSA-N 2 0 347.547 3.066 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203100881 1369983335 /nfs/dbraw/zinc/98/33/35/1369983335.db2.gz BCZZQYLDDPBMIJ-ZWKOTPCHSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC001325755729 1388041722 /nfs/dbraw/zinc/04/17/22/1388041722.db2.gz GUGWNLORBAKEBO-MLGOLLRUSA-N 2 0 325.294 3.358 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1)c1ccccc1 ZINC001187034618 1388043295 /nfs/dbraw/zinc/04/32/95/1388043295.db2.gz KCKNXLXWQWMBFV-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203201781 1370022784 /nfs/dbraw/zinc/02/27/84/1370022784.db2.gz JRGQPSBPNXKAGU-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001203202872 1370023333 /nfs/dbraw/zinc/02/33/33/1370023333.db2.gz CFUJBLLRSYYCOM-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCc1nc(C)c(CN(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001203246335 1370038271 /nfs/dbraw/zinc/03/82/71/1370038271.db2.gz FONMYPDKWOMDPW-GOSISDBHSA-N 2 0 326.488 3.377 20 0 EGADRP CC[NH+](CC)CCn1cc(Nc2ccc(CC[NH+](C)C)cc2)cn1 ZINC001203264536 1370048890 /nfs/dbraw/zinc/04/88/90/1370048890.db2.gz FYZPLZRCNRJXAT-UHFFFAOYSA-N 2 0 329.492 3.073 20 0 EGADRP CCCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312189 1370077345 /nfs/dbraw/zinc/07/73/45/1370077345.db2.gz ALAVUILSDPDDRJ-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312754 1370077790 /nfs/dbraw/zinc/07/77/90/1370077790.db2.gz UJYMXDHAWOUJEC-DLBZAZTESA-N 2 0 347.503 3.162 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001203443495 1370128823 /nfs/dbraw/zinc/12/88/23/1370128823.db2.gz UWAVXTQMSPCFNY-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(C)C)C12CCC2 ZINC001203506312 1370148285 /nfs/dbraw/zinc/14/82/85/1370148285.db2.gz IPSRJVGPUZLCRT-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203556345 1370168231 /nfs/dbraw/zinc/16/82/31/1370168231.db2.gz LUVSQGUBJDILHH-OALUTQOASA-N 2 0 347.547 3.090 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203629935 1370193073 /nfs/dbraw/zinc/19/30/73/1370193073.db2.gz DVXBYMNWVIGYJG-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203744332 1370245651 /nfs/dbraw/zinc/24/56/51/1370245651.db2.gz ZCCSTPQHWLYPCK-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772185 1370259084 /nfs/dbraw/zinc/25/90/84/1370259084.db2.gz QGJLZBUPZMBRIT-RBUKOAKNSA-N 2 0 349.563 3.460 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823187 1370279033 /nfs/dbraw/zinc/27/90/33/1370279033.db2.gz HXPCJIYLFJTJFR-OALUTQOASA-N 2 0 349.563 3.460 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC001203888782 1370299701 /nfs/dbraw/zinc/29/97/01/1370299701.db2.gz PQJJNAFFDGASGZ-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001203903793 1370307845 /nfs/dbraw/zinc/30/78/45/1370307845.db2.gz NQRAEQLBCGKAAQ-LIXSYLKWSA-N 2 0 335.536 3.188 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH2+]CC=C(C)C)CC2)o1 ZINC001204056258 1370362495 /nfs/dbraw/zinc/36/24/95/1370362495.db2.gz FEJGCOAZJIJPBT-UHFFFAOYSA-N 2 0 347.503 3.282 20 0 EGADRP CCCC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001204057775 1370362946 /nfs/dbraw/zinc/36/29/46/1370362946.db2.gz ZDNTTWHLKCHSTM-UHFFFAOYSA-N 2 0 335.492 3.116 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)cc1 ZINC001204263522 1370426077 /nfs/dbraw/zinc/42/60/77/1370426077.db2.gz MPBXETVPUSJQSD-HXUWFJFHSA-N 2 0 332.488 3.162 20 0 EGADRP CC[N@H+](Cc1ccncc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204263807 1370426393 /nfs/dbraw/zinc/42/63/93/1370426393.db2.gz DPUPCKQSSODACE-UHFFFAOYSA-N 2 0 327.472 3.434 20 0 EGADRP Cc1[nH]c2ccccc2c1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001204296382 1370434652 /nfs/dbraw/zinc/43/46/52/1370434652.db2.gz ZABWIEIJKKPTCD-UHFFFAOYSA-N 2 0 330.520 3.182 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)cc[nH+]1 ZINC001204456189 1370481156 /nfs/dbraw/zinc/48/11/56/1370481156.db2.gz FMHZACRALPRUCS-UHFFFAOYSA-N 2 0 325.456 3.499 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535490 1370531926 /nfs/dbraw/zinc/53/19/26/1370531926.db2.gz YAPLOYGIMOWHNU-SJORKVTESA-N 2 0 341.515 3.016 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536756 1370533325 /nfs/dbraw/zinc/53/33/25/1370533325.db2.gz GOBZFDKEWJJACE-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CCC2CC2)CCCCC1)[NH+]1CCCCC1 ZINC001115538712 1370535547 /nfs/dbraw/zinc/53/55/47/1370535547.db2.gz UWEVKRSVILKINX-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001115545206 1370541773 /nfs/dbraw/zinc/54/17/73/1370541773.db2.gz WYDBWDXOHMDOEV-OKZBNKHCSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115573004 1370575346 /nfs/dbraw/zinc/57/53/46/1370575346.db2.gz CTNNQTQSKQBDMA-GOSISDBHSA-N 2 0 335.536 3.212 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1)[NH+](C)C ZINC001115591712 1370592490 /nfs/dbraw/zinc/59/24/90/1370592490.db2.gz AWMFYPKZRCWZIP-MRXNPFEDSA-N 2 0 325.541 3.172 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001115591906 1370593075 /nfs/dbraw/zinc/59/30/75/1370593075.db2.gz KKJHYZQZBWWPJT-OALUTQOASA-N 2 0 347.547 3.212 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)CC)CCCCC1 ZINC001115601539 1370601256 /nfs/dbraw/zinc/60/12/56/1370601256.db2.gz GCATVIZEJSMDCJ-CMDGGOBGSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C[NH3+])c2)CC1 ZINC001204904410 1370601305 /nfs/dbraw/zinc/60/13/05/1370601305.db2.gz PXUCRKAKFITRIP-UHFFFAOYSA-N 2 0 329.875 3.429 20 0 EGADRP C[C@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661535 1370645898 /nfs/dbraw/zinc/64/58/98/1370645898.db2.gz DKBTUMVDKTYJEL-INIZCTEOSA-N 2 0 341.515 3.018 20 0 EGADRP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)c2)cc1 ZINC001205123675 1370657206 /nfs/dbraw/zinc/65/72/06/1370657206.db2.gz DYIZBWJMBVOTJW-HXUWFJFHSA-N 2 0 338.451 3.453 20 0 EGADRP COc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205150784 1370664442 /nfs/dbraw/zinc/66/44/42/1370664442.db2.gz KESCUICNHOHBIO-FUHWJXTLSA-N 2 0 339.483 3.490 20 0 EGADRP COc1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cccc1OCc1ccccc1 ZINC001205155651 1370665766 /nfs/dbraw/zinc/66/57/66/1370665766.db2.gz AQBBIEQQGVKBJT-QFBILLFUSA-N 2 0 340.467 3.301 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)c2occc2C[NH+](C)C)CCCCC1 ZINC001115696328 1370677986 /nfs/dbraw/zinc/67/79/86/1370677986.db2.gz QHCCKJXAHYPHAE-UHFFFAOYSA-N 2 0 349.519 3.410 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCC2=CCCCC2)CCCCC1 ZINC001115708269 1370687572 /nfs/dbraw/zinc/68/75/72/1370687572.db2.gz XOJDBMHAGOVUNM-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccccc2-c2ccc(F)cc2)CC1 ZINC001205239461 1370692329 /nfs/dbraw/zinc/69/23/29/1370692329.db2.gz BQWIDJDFMZHHCV-FQEVSTJZSA-N 2 0 328.431 3.168 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205242972 1370693290 /nfs/dbraw/zinc/69/32/90/1370693290.db2.gz XSGDKEQSLUVVDU-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccccc2-c2ccc(F)cc2F)CC1 ZINC001205249317 1370695470 /nfs/dbraw/zinc/69/54/70/1370695470.db2.gz VVLPKZIHNNSIHS-FQEVSTJZSA-N 2 0 346.421 3.308 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726707 1370707921 /nfs/dbraw/zinc/70/79/21/1370707921.db2.gz OAQUPQCJVHHRDI-KRWDZBQOSA-N 2 0 325.541 3.316 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205298076 1370712103 /nfs/dbraw/zinc/71/21/03/1370712103.db2.gz SAKOYDJBHSSBLR-UHFFFAOYSA-N 2 0 342.531 3.408 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001187298486 1388090973 /nfs/dbraw/zinc/09/09/73/1388090973.db2.gz GBQJHKOLTYORPQ-WUTDNEBXSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760001 1370743214 /nfs/dbraw/zinc/74/32/14/1370743214.db2.gz IKWLYBMFROTJMY-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH2+]CC3CC3)CCCCC2)cc1 ZINC001115773122 1370756316 /nfs/dbraw/zinc/75/63/16/1370756316.db2.gz MXHPVZOPLLMMFG-UHFFFAOYSA-N 2 0 343.515 3.181 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH2+]CCCF)CCCCC2)cc1 ZINC001115773257 1370756513 /nfs/dbraw/zinc/75/65/13/1370756513.db2.gz UTQMEWZNZNCHEN-UHFFFAOYSA-N 2 0 349.494 3.130 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490372 1370770962 /nfs/dbraw/zinc/77/09/62/1370770962.db2.gz CLNAPKWGFOOKTK-HKUYNNGSSA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519045 1370778552 /nfs/dbraw/zinc/77/85/52/1370778552.db2.gz SQXRBNNEOLMVLL-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205526139 1370781795 /nfs/dbraw/zinc/78/17/95/1370781795.db2.gz GPDFEWQDVPQFNB-UEKDZROGSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Br ZINC001205560004 1370790973 /nfs/dbraw/zinc/79/09/73/1370790973.db2.gz YBJSWKIQNQWFHW-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(C(F)(F)F)c1 ZINC001205570337 1370795084 /nfs/dbraw/zinc/79/50/84/1370795084.db2.gz INSQGTRKVGNJRL-OAHLLOKOSA-N 2 0 334.357 3.367 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205570408 1370795664 /nfs/dbraw/zinc/79/56/64/1370795664.db2.gz JUZSMTKJIOAHBC-AWEZNQCLSA-N 2 0 338.320 3.377 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001205582361 1370799532 /nfs/dbraw/zinc/79/95/32/1370799532.db2.gz XOGRGZNDRBMXLO-QGZVFWFLSA-N 2 0 336.842 3.179 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC001205591672 1370803942 /nfs/dbraw/zinc/80/39/42/1370803942.db2.gz NXSIQAXKQFGBMG-FQEVSTJZSA-N 2 0 343.446 3.314 20 0 EGADRP C[C@@H]1CC[N@H+](CCc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC001205600954 1370806554 /nfs/dbraw/zinc/80/65/54/1370806554.db2.gz COCOUMVVXARKFW-UKRRQHHQSA-N 2 0 325.294 3.298 20 0 EGADRP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1OC(F)F ZINC001205618607 1370813186 /nfs/dbraw/zinc/81/31/86/1370813186.db2.gz XPEAHBXPGDVXLP-JSGCOSHPSA-N 2 0 328.403 3.103 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205617850 1370813483 /nfs/dbraw/zinc/81/34/83/1370813483.db2.gz OORVKVQBBPCZDD-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205651735 1370828714 /nfs/dbraw/zinc/82/87/14/1370828714.db2.gz ISXZKGSXXNJTHA-HZPDHXFCSA-N 2 0 331.504 3.478 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205653360 1370828936 /nfs/dbraw/zinc/82/89/36/1370828936.db2.gz SWFAXTVRVSPZBK-VXGBXAGGSA-N 2 0 332.366 3.098 20 0 EGADRP CC(C)(C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001205662739 1370834381 /nfs/dbraw/zinc/83/43/81/1370834381.db2.gz DHZCBOLIDSNKSW-QGZVFWFLSA-N 2 0 342.936 3.386 20 0 EGADRP CCc1cccc2cc(CN3CCCC[C@@](O)(C[NH3+])C3)c(Cl)nc21 ZINC001205673453 1370837772 /nfs/dbraw/zinc/83/77/72/1370837772.db2.gz QVURBENGCXQVGV-LJQANCHMSA-N 2 0 347.890 3.126 20 0 EGADRP CCCCCCOc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205673022 1370838301 /nfs/dbraw/zinc/83/83/01/1370838301.db2.gz NUEQEZQGNCMMOS-HXUWFJFHSA-N 2 0 334.504 3.321 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205991673 1370931993 /nfs/dbraw/zinc/93/19/93/1370931993.db2.gz BIJULQNBNRCISF-OXQOHEQNSA-N 2 0 340.515 3.355 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(F)cc2Br)CCC[C@H]1C[NH3+] ZINC001205994391 1370933517 /nfs/dbraw/zinc/93/35/17/1370933517.db2.gz LJVJNRRDEQDOKV-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206004687 1370935397 /nfs/dbraw/zinc/93/53/97/1370935397.db2.gz ULMKGEXPZQDMGS-QWHCGFSZSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001326040194 1388103452 /nfs/dbraw/zinc/10/34/52/1388103452.db2.gz UXRWLOWEKUOVKU-FOIQADDNSA-N 2 0 337.467 3.083 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccn2)CCC[C@H]1C[NH3+] ZINC001206013725 1370939315 /nfs/dbraw/zinc/93/93/15/1370939315.db2.gz TZXJNMGSQMYJKL-MJGOQNOKSA-N 2 0 339.483 3.467 20 0 EGADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001206084718 1370957098 /nfs/dbraw/zinc/95/70/98/1370957098.db2.gz MJGIKXBEHPPRHN-RBSFLKMASA-N 2 0 334.451 3.064 20 0 EGADRP CN(CCC[N@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1)CC[NH+](C)C ZINC001206135228 1370968792 /nfs/dbraw/zinc/96/87/92/1370968792.db2.gz FXBISVVZKDDFBN-SFTDATJTSA-N 2 0 331.548 3.312 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001206169935 1370979152 /nfs/dbraw/zinc/97/91/52/1370979152.db2.gz UNXJMXNUEWEUKX-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC001326056873 1388107176 /nfs/dbraw/zinc/10/71/76/1388107176.db2.gz CVPQUTCKPZPZPQ-HXUWFJFHSA-N 2 0 337.467 3.447 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC001117112679 1371012051 /nfs/dbraw/zinc/01/20/51/1371012051.db2.gz NWNOZLOOBRNIJR-RDJZCZTQSA-N 2 0 334.504 3.265 20 0 EGADRP COc1cccc(-c2ncc(C[N@@H+]3CCC[C@](C)(C[NH3+])CC3)cn2)c1 ZINC001206310941 1371017694 /nfs/dbraw/zinc/01/76/94/1371017694.db2.gz FXAYSVILQBGDQS-FQEVSTJZSA-N 2 0 340.471 3.103 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311480 1371018267 /nfs/dbraw/zinc/01/82/67/1371018267.db2.gz PSNSBNRADJIDNV-FQEVSTJZSA-N 2 0 343.471 3.296 20 0 EGADRP Cc1cc(Br)ncc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206317829 1371019788 /nfs/dbraw/zinc/01/97/88/1371019788.db2.gz JLQGTKIBOLXXHT-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP Cc1nc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1Br ZINC001206318558 1371020418 /nfs/dbraw/zinc/02/04/18/1371020418.db2.gz RFDLAKOEAVANPO-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1-n1cnc(C)c1 ZINC001206318927 1371020443 /nfs/dbraw/zinc/02/04/43/1371020443.db2.gz VFMUECFSYZKXAF-HXUWFJFHSA-N 2 0 342.487 3.140 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001117497283 1371048221 /nfs/dbraw/zinc/04/82/21/1371048221.db2.gz HFDRLRNRIJUZHC-UHFFFAOYSA-N 2 0 339.483 3.191 20 0 EGADRP Cn1c2ccccc2c(Cl)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1=O ZINC001206564446 1371095151 /nfs/dbraw/zinc/09/51/51/1371095151.db2.gz NXARVAGAQWMTDF-IBGZPJMESA-N 2 0 347.890 3.143 20 0 EGADRP COC(=O)c1[nH]c2ccccc2c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206592131 1371102476 /nfs/dbraw/zinc/10/24/76/1371102476.db2.gz XMLSNZNDRXLMBM-OAHLLOKOSA-N 2 0 343.471 3.307 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccnc(OCc3ccccc3)c2)C1 ZINC001206649602 1371119939 /nfs/dbraw/zinc/11/99/39/1371119939.db2.gz WSJQRPIHAYJYLE-IBGZPJMESA-N 2 0 325.456 3.221 20 0 EGADRP c1oc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001118059803 1371126390 /nfs/dbraw/zinc/12/63/90/1371126390.db2.gz SVXFEFZVMLGBIE-IPMKNSEASA-N 2 0 325.456 3.394 20 0 EGADRP C[N@@H+]1CCc2cc(-c3ccc(CN4CCOCC4)cc3F)ccc2C1 ZINC001206720126 1371144696 /nfs/dbraw/zinc/14/46/96/1371144696.db2.gz ZQJAHEQPRNQTBN-UHFFFAOYSA-N 2 0 340.442 3.313 20 0 EGADRP COc1ccc(F)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1F ZINC001206755085 1371154883 /nfs/dbraw/zinc/15/48/83/1371154883.db2.gz AWMKTAQOZFASRP-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(Cl)n1 ZINC001206760217 1371155814 /nfs/dbraw/zinc/15/58/14/1371155814.db2.gz AITBFUDFXBRYII-UHFFFAOYSA-N 2 0 345.874 3.236 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(-c2ccccc2)cn1 ZINC001206805187 1371174506 /nfs/dbraw/zinc/17/45/06/1371174506.db2.gz ASIHWZSPFZKZNC-HOTGVXAUSA-N 2 0 325.456 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001206886566 1371208029 /nfs/dbraw/zinc/20/80/29/1371208029.db2.gz WSYBVBYPLJXGSK-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206935779 1371232742 /nfs/dbraw/zinc/23/27/42/1371232742.db2.gz VKUVIEHDDODUEE-ONEGZZNKSA-N 2 0 349.563 3.437 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001206948096 1371240537 /nfs/dbraw/zinc/24/05/37/1371240537.db2.gz UQHLVGXZBUHKOK-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206951513 1371243093 /nfs/dbraw/zinc/24/30/93/1371243093.db2.gz VKDAYMIYRDMWBY-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3cncc(OC)c3)CC2)CC1 ZINC001206998648 1371263734 /nfs/dbraw/zinc/26/37/34/1371263734.db2.gz VUXIWHSSSXEJEG-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207187299 1371324339 /nfs/dbraw/zinc/32/43/39/1371324339.db2.gz PJDOYKYOOSCIDJ-RSPOEFSDSA-N 2 0 347.934 3.154 20 0 EGADRP C[NH+](C)CC1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291541 1371352672 /nfs/dbraw/zinc/35/26/72/1371352672.db2.gz RTOCRIVCZWMQMA-UHFFFAOYSA-N 3 0 329.532 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001207337554 1371364813 /nfs/dbraw/zinc/36/48/13/1371364813.db2.gz TZSGWLXKONGTKT-KURKYZTESA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207392289 1371383104 /nfs/dbraw/zinc/38/31/04/1371383104.db2.gz YFIMSXRYNGDORH-IBGZPJMESA-N 2 0 343.515 3.438 20 0 EGADRP Cc1cccc(CCN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001207538365 1371429377 /nfs/dbraw/zinc/42/93/77/1371429377.db2.gz FFKDNIDPZXEVQE-FGZHOGPDSA-N 2 0 342.527 3.360 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC)CCCCC1 ZINC001119988841 1371443791 /nfs/dbraw/zinc/44/37/91/1371443791.db2.gz CRUFYTHJVNSVII-GOSISDBHSA-N 2 0 337.552 3.460 20 0 EGADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](CCCC3CCCCC3)CC[C@@H]2C1 ZINC001207608226 1371450481 /nfs/dbraw/zinc/45/04/81/1371450481.db2.gz OUZWCPRSJNFVHN-WOJBJXKFSA-N 2 0 338.536 3.016 20 0 EGADRP CC(C)n1nc(CN(C)C)c2c1C[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620977 1371454016 /nfs/dbraw/zinc/45/40/16/1371454016.db2.gz YIAFOSKMWDTYLM-GVDBMIGSSA-N 2 0 328.504 3.096 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041452 1371466231 /nfs/dbraw/zinc/46/62/31/1371466231.db2.gz QBIZICPKEGYUMB-VOTSOKGWSA-N 2 0 337.552 3.483 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001120041553 1371467589 /nfs/dbraw/zinc/46/75/89/1371467589.db2.gz XBCIPHFCXVTXKR-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001120071142 1371477686 /nfs/dbraw/zinc/47/76/86/1371477686.db2.gz FZZJULHFFHWUSE-SLFFLAALSA-N 2 0 336.483 3.306 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CCCCC2)C1 ZINC001120128974 1371491251 /nfs/dbraw/zinc/49/12/51/1371491251.db2.gz CBLBTVKFAZSSGM-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC001207750483 1371494590 /nfs/dbraw/zinc/49/45/90/1371494590.db2.gz RXKJRTKTDNTGAG-RVKKMQEKSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120190557 1371503122 /nfs/dbraw/zinc/50/31/22/1371503122.db2.gz VIKGRMBOSMCNNZ-QGZVFWFLSA-N 2 0 341.515 3.019 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208427 1371505684 /nfs/dbraw/zinc/50/56/84/1371505684.db2.gz ZFMCUVQEPUXHBG-SJORKVTESA-N 2 0 341.515 3.018 20 0 EGADRP Cc1ccc(-c2cnn(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c2)cc1 ZINC001120255243 1371516358 /nfs/dbraw/zinc/51/63/58/1371516358.db2.gz BVEVVCQPDBYEDW-QKNQBKEWSA-N 2 0 338.499 3.478 20 0 EGADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCO2)CC3)c1 ZINC001207853656 1371520086 /nfs/dbraw/zinc/52/00/86/1371520086.db2.gz QUTHPGRBIHQQKO-FQEVSTJZSA-N 2 0 344.499 3.162 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207867967 1371525600 /nfs/dbraw/zinc/52/56/00/1371525600.db2.gz FYAONDRQOLRPSI-FOVLHFFESA-N 2 0 340.471 3.131 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988865 1371560652 /nfs/dbraw/zinc/56/06/52/1371560652.db2.gz ZITACYYTIQCDJV-GPMSIDNRSA-N 2 0 342.487 3.067 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001120430913 1371574632 /nfs/dbraw/zinc/57/46/32/1371574632.db2.gz NZSGIPJMUAUWLP-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001120431606 1371575206 /nfs/dbraw/zinc/57/52/06/1371575206.db2.gz UYMOXEQAOYSXDL-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001208048263 1371579797 /nfs/dbraw/zinc/57/97/97/1371579797.db2.gz FRTQOLYWTMYMTD-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048162 1371579895 /nfs/dbraw/zinc/57/98/95/1371579895.db2.gz BYBVMQFTMMQLTN-OALUTQOASA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001120462278 1371585012 /nfs/dbraw/zinc/58/50/12/1371585012.db2.gz WAVCXDNEWRNIMO-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCN([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001208109071 1371596696 /nfs/dbraw/zinc/59/66/96/1371596696.db2.gz LHPSWGIHTMDFFS-NRFANRHFSA-N 2 0 341.543 3.414 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)CC1 ZINC001208110175 1371597609 /nfs/dbraw/zinc/59/76/09/1371597609.db2.gz XFYPVIRWRNWYJK-UHFFFAOYSA-N 2 0 337.895 3.310 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)CC1 ZINC001208110405 1371597994 /nfs/dbraw/zinc/59/79/94/1371597994.db2.gz ZKFGJXYKRDCGMQ-UHFFFAOYSA-N 2 0 328.500 3.400 20 0 EGADRP COC[C@H](C)[N@H+](Cc1cccc(OC)c1)CC1(C)CC[NH+](C)CC1 ZINC001208110292 1371598062 /nfs/dbraw/zinc/59/80/62/1371598062.db2.gz YEDMKFDSRONHQX-KRWDZBQOSA-N 2 0 334.504 3.264 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CC4(C)CC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001208110890 1371598075 /nfs/dbraw/zinc/59/80/75/1371598075.db2.gz XBINHCJVMSTZFA-SFTDATJTSA-N 2 0 341.543 3.091 20 0 EGADRP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208112798 1371598517 /nfs/dbraw/zinc/59/85/17/1371598517.db2.gz YTRRIVGESNIGDG-SFHVURJKSA-N 2 0 336.520 3.164 20 0 EGADRP C[NH+](C)CC1(CN2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC001208185412 1371627289 /nfs/dbraw/zinc/62/72/89/1371627289.db2.gz CZACVMXJLLOYBM-SFTDATJTSA-N 2 0 341.543 3.315 20 0 EGADRP CC/C=C\CCCCC[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001208191632 1371628946 /nfs/dbraw/zinc/62/89/46/1371628946.db2.gz ULFMUZYRKKAXPC-PLNGDYQASA-N 2 0 335.536 3.189 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001326310405 1388149302 /nfs/dbraw/zinc/14/93/02/1388149302.db2.gz DXRDKAJIRCHECR-KRWDZBQOSA-N 2 0 329.488 3.096 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001208401952 1371754698 /nfs/dbraw/zinc/75/46/98/1371754698.db2.gz MDMYXHSXDPHRMB-MISYRCLQSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001208453308 1371771456 /nfs/dbraw/zinc/77/14/56/1371771456.db2.gz DOHIQTHQNCMTCJ-QZTJIDSGSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460198 1371775782 /nfs/dbraw/zinc/77/57/82/1371775782.db2.gz PSWRRYBHGRKOAT-QGZVFWFLSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563697 1371818856 /nfs/dbraw/zinc/81/88/56/1371818856.db2.gz BNUFDKGFQHXLTR-QGZVFWFLSA-N 2 0 328.460 3.109 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C)[NH+](CC)CC ZINC001208570948 1371822035 /nfs/dbraw/zinc/82/20/35/1371822035.db2.gz DRKSXXQOCSRHOY-MISYRCLQSA-N 2 0 345.531 3.052 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC[NH+](C3CCC3)CC2)cc1 ZINC001208581977 1371826833 /nfs/dbraw/zinc/82/68/33/1371826833.db2.gz BVHCGRIJVYFVRO-OAQYLSRUSA-N 2 0 327.516 3.211 20 0 EGADRP CCOC(=O)CC[N@@H+](Cc1ccccc1)CC1CC[NH+](CC)CC1 ZINC001208596374 1371835149 /nfs/dbraw/zinc/83/51/49/1371835149.db2.gz MEXOSWTYDSDCGC-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001208602357 1371836085 /nfs/dbraw/zinc/83/60/85/1371836085.db2.gz CXILMYMHPNDXOS-IBGZPJMESA-N 2 0 330.472 3.342 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)CCC(C)(C)c1ccccc1 ZINC001208668582 1371856430 /nfs/dbraw/zinc/85/64/30/1371856430.db2.gz WBLWEGJPAGPLFA-UHFFFAOYSA-N 2 0 334.504 3.171 20 0 EGADRP Clc1ccc(CCN2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208740427 1371880587 /nfs/dbraw/zinc/88/05/87/1371880587.db2.gz MLLDQVYHKQURFJ-UHFFFAOYSA-N 2 0 344.890 3.191 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208748772 1371883451 /nfs/dbraw/zinc/88/34/51/1371883451.db2.gz LUNPDODIKYHIME-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)CCCC1 ZINC001208767667 1371889318 /nfs/dbraw/zinc/88/93/18/1371889318.db2.gz BQWOWXZEJLKIBI-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208768767 1371890316 /nfs/dbraw/zinc/89/03/16/1371890316.db2.gz HSRZHXJCUGUDPK-QWNKOJSDSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)Oc1ncccc1CC[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208799606 1371900135 /nfs/dbraw/zinc/90/01/35/1371900135.db2.gz ZJYGYIIZMXHBIM-UHFFFAOYSA-N 2 0 333.520 3.464 20 0 EGADRP CN1CCC[C@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824421 1371906778 /nfs/dbraw/zinc/90/67/78/1371906778.db2.gz HVTVNQKWLOIKAM-RDJZCZTQSA-N 2 0 337.305 3.408 20 0 EGADRP C[NH+](C)CCN(CCCc1ccccc1C(F)(F)F)CC[NH+](C)C ZINC001208826468 1371906942 /nfs/dbraw/zinc/90/69/42/1371906942.db2.gz BXBDCZPIZBAROD-UHFFFAOYSA-N 2 0 345.453 3.063 20 0 EGADRP C[N@H+](CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2)C1CCC1 ZINC001121245975 1371907040 /nfs/dbraw/zinc/90/70/40/1371907040.db2.gz JLOYCTKAXRTFOS-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261079 1371912335 /nfs/dbraw/zinc/91/23/35/1371912335.db2.gz OGJOZFQDHCCOBB-FCOWATRHSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121295278 1371926579 /nfs/dbraw/zinc/92/65/79/1371926579.db2.gz XYIWWSHVMBLYQX-WZXTXQKWSA-N 2 0 335.536 3.068 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940492 1371953343 /nfs/dbraw/zinc/95/33/43/1371953343.db2.gz SIGITJFUWSRHDY-SFTDATJTSA-N 2 0 329.532 3.315 20 0 EGADRP C[N@@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001208945829 1371959352 /nfs/dbraw/zinc/95/93/52/1371959352.db2.gz DUSRJGQLDJFUKE-GGAORHGYSA-N 2 0 349.522 3.497 20 0 EGADRP C[N@@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208949637 1371961349 /nfs/dbraw/zinc/96/13/49/1371961349.db2.gz MNFCFMYZJAKXSL-GMAHTHKFSA-N 2 0 349.522 3.497 20 0 EGADRP C[NH+](C)CCC[N@H+](C)CC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209166356 1372020560 /nfs/dbraw/zinc/02/05/60/1372020560.db2.gz ZBOVNKTYIQGDEQ-MRXNPFEDSA-N 2 0 327.513 3.050 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001121637581 1372032051 /nfs/dbraw/zinc/03/20/51/1372032051.db2.gz CIJRWQANKJEOBA-UHFFFAOYSA-N 2 0 347.503 3.162 20 0 EGADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)CC1COC(C)(C)OC1 ZINC001209199386 1372034949 /nfs/dbraw/zinc/03/49/49/1372034949.db2.gz XSFMIRKFJJEMJT-UHFFFAOYSA-N 2 0 346.515 3.230 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(CC)CC)C2)C1 ZINC001209205701 1372038126 /nfs/dbraw/zinc/03/81/26/1372038126.db2.gz RGHMVVBZYOIAKQ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001209322917 1372068631 /nfs/dbraw/zinc/06/86/31/1372068631.db2.gz BOOYEJLEZGOKTA-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC(C)C)C2)[NH+](CC)CC ZINC001121761347 1372072681 /nfs/dbraw/zinc/07/26/81/1372072681.db2.gz KKIKOTXZFQVQKD-WZXTXQKWSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767763 1372074970 /nfs/dbraw/zinc/07/49/70/1372074970.db2.gz KAKFCHMFNKQODM-YQTQZHKRSA-N 2 0 349.563 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001326404149 1388178774 /nfs/dbraw/zinc/17/87/74/1388178774.db2.gz PBVKHBJMTDDTKV-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121853177 1372102319 /nfs/dbraw/zinc/10/23/19/1372102319.db2.gz APZXJLHVYFLPCE-YQTQZHKRSA-N 2 0 349.563 3.314 20 0 EGADRP FC(F)(F)c1nc([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)no1 ZINC001209448571 1372108325 /nfs/dbraw/zinc/10/83/25/1372108325.db2.gz CKUXXNGXXNYGOY-ZDUSSCGKSA-N 2 0 346.397 3.144 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCC[NH+]2CCCCC2)cc1 ZINC001209450466 1372108929 /nfs/dbraw/zinc/10/89/29/1372108929.db2.gz RPCDLKNNSHPEQJ-OYRHEFFESA-N 2 0 327.516 3.211 20 0 EGADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001209448712 1372109109 /nfs/dbraw/zinc/10/91/09/1372109109.db2.gz ZPRRXZXCCQQILO-VQTJNVASSA-N 2 0 329.532 3.457 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001209455520 1372110911 /nfs/dbraw/zinc/11/09/11/1372110911.db2.gz URNQNOCDSRMYCJ-XLIONFOSSA-N 2 0 345.531 3.403 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2 ZINC001122021710 1372154697 /nfs/dbraw/zinc/15/46/97/1372154697.db2.gz DJKOXWGJEPRINN-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC001122056050 1372163779 /nfs/dbraw/zinc/16/37/79/1372163779.db2.gz LJUMPQMGLFKYPZ-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2 ZINC001122080903 1372171191 /nfs/dbraw/zinc/17/11/91/1372171191.db2.gz VPVAAJJMHJBULE-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2 ZINC001122101534 1372174407 /nfs/dbraw/zinc/17/44/07/1372174407.db2.gz NUWBBRQVWPYUAH-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)C1 ZINC001122124190 1372181043 /nfs/dbraw/zinc/18/10/43/1372181043.db2.gz OPHYXAJNHLGCHN-QDDLRWIDSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)(C[NH3+])CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001122127626 1372181604 /nfs/dbraw/zinc/18/16/04/1372181604.db2.gz RJVQUXWWPIGADZ-UHFFFAOYSA-N 2 0 335.517 3.188 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001122197695 1372199180 /nfs/dbraw/zinc/19/91/80/1372199180.db2.gz SXFBUIGUEWAPBJ-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231825 1372207351 /nfs/dbraw/zinc/20/73/51/1372207351.db2.gz ZMDUJACLNCYLBF-OSWRJNDQSA-N 2 0 349.563 3.312 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001122247919 1372211106 /nfs/dbraw/zinc/21/11/06/1372211106.db2.gz AOTJQTSAPNAEMC-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001122284673 1372221098 /nfs/dbraw/zinc/22/10/98/1372221098.db2.gz AOASTPBJYZSTLT-PMRGXDQWSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001209951146 1372239749 /nfs/dbraw/zinc/23/97/49/1372239749.db2.gz JASOQFXNDFKRDG-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210040517 1372261561 /nfs/dbraw/zinc/26/15/61/1372261561.db2.gz JFZQDTQJJRKQTJ-WSTZPKSXSA-N 2 0 345.531 3.143 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)C(C)C ZINC001210189544 1372291388 /nfs/dbraw/zinc/29/13/88/1372291388.db2.gz IXNDRFIADHLLSN-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP O=C1CCCCc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cccc21 ZINC001210267978 1372311137 /nfs/dbraw/zinc/31/11/37/1372311137.db2.gz PMZGVCJBHZKKQH-UHFFFAOYSA-N 2 0 336.439 3.144 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(OC(F)F)cc2)CC1 ZINC001210325644 1372325221 /nfs/dbraw/zinc/32/52/21/1372325221.db2.gz NSARGXBBXTUFMX-UHFFFAOYSA-N 2 0 334.370 3.178 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427038 1372350727 /nfs/dbraw/zinc/35/07/27/1372350727.db2.gz MRKYSTWJBJXCEI-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001210497805 1372367247 /nfs/dbraw/zinc/36/72/47/1372367247.db2.gz JFFOFSGEDPGNSZ-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593741 1372386287 /nfs/dbraw/zinc/38/62/87/1372386287.db2.gz DJLHXHXSVAIFRN-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001210634890 1372397015 /nfs/dbraw/zinc/39/70/15/1372397015.db2.gz UEICDMKBDIYDTJ-CGQZWFTASA-N 2 0 343.943 3.222 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001210643874 1372398754 /nfs/dbraw/zinc/39/87/54/1372398754.db2.gz LYRYVUCTGXVSOJ-WOJBJXKFSA-N 2 0 345.531 3.306 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001210751450 1372419337 /nfs/dbraw/zinc/41/93/37/1372419337.db2.gz YPQXVSROANQUHI-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001210783486 1372426229 /nfs/dbraw/zinc/42/62/29/1372426229.db2.gz TXDLOLQUYMGIJX-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001211146861 1372490374 /nfs/dbraw/zinc/49/03/74/1372490374.db2.gz KDWUTECVLFHKHM-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240617 1372509524 /nfs/dbraw/zinc/50/95/24/1372509524.db2.gz NWQMJMILPGDAMM-PXPVJAHISA-N 2 0 335.536 3.189 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001211250151 1372511507 /nfs/dbraw/zinc/51/15/07/1372511507.db2.gz SKQVHMDJGUBYRY-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001211257587 1372514575 /nfs/dbraw/zinc/51/45/75/1372514575.db2.gz UASWCXUWTSBIKM-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261923 1372515245 /nfs/dbraw/zinc/51/52/45/1372515245.db2.gz HARMLERTYDQHLL-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)ccc1C[NH+](C)C ZINC001123807346 1372594834 /nfs/dbraw/zinc/59/48/34/1372594834.db2.gz WXJTUFNYIUCGGD-YJLNNSPDSA-N 2 0 329.488 3.116 20 0 EGADRP COc1ccc2cccc(-c3noc([C@@](C)([NH3+])CCCC[NH3+])n3)c2c1 ZINC001212338203 1372690686 /nfs/dbraw/zinc/69/06/86/1372690686.db2.gz LPHGGHGANXIFJL-IBGZPJMESA-N 2 0 340.427 3.201 20 0 EGADRP Cc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c(C(F)(F)F)c1 ZINC001212337794 1372690864 /nfs/dbraw/zinc/69/08/64/1372690864.db2.gz DUTQUSNGJIFPNY-HNNXBMFYSA-N 2 0 342.365 3.367 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001124866963 1372736657 /nfs/dbraw/zinc/73/66/57/1372736657.db2.gz OLFJFGHAPURRBC-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001326524639 1388229103 /nfs/dbraw/zinc/22/91/03/1388229103.db2.gz DVUUNNKGHUYWNI-QGZVKYPTSA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001188085022 1388239844 /nfs/dbraw/zinc/23/98/44/1388239844.db2.gz MDDWEBMXGUMXAX-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214634227 1373092587 /nfs/dbraw/zinc/09/25/87/1373092587.db2.gz GDACOGYNAVZZPH-JNVNVXKGSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)(C(=O)NCC[NH2+]CC/C=C\c1ccccc1)[NH+]1CCCCC1 ZINC001127322754 1373115600 /nfs/dbraw/zinc/11/56/00/1373115600.db2.gz VGGKGRKSHHMZHF-QPEQYQDCSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)(C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)[NH+]1CCCCC1 ZINC001127327817 1373115957 /nfs/dbraw/zinc/11/59/57/1373115957.db2.gz XRVKYQCLQAHGLP-LJQANCHMSA-N 2 0 343.515 3.034 20 0 EGADRP CCC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357151 1373118961 /nfs/dbraw/zinc/11/89/61/1373118961.db2.gz SXFUHNKMDPCHLQ-SHCNBLLESA-N 2 0 335.536 3.093 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1C ZINC001214917413 1373141546 /nfs/dbraw/zinc/14/15/46/1373141546.db2.gz ZYIKCMWNEYXCEQ-BHIYHBOVSA-N 2 0 348.535 3.343 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC001127942885 1373203253 /nfs/dbraw/zinc/20/32/53/1373203253.db2.gz YBXONJJTEZZVSB-LJQANCHMSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc3c(cccc3F)o2)CC1 ZINC001216292521 1373296342 /nfs/dbraw/zinc/29/63/42/1373296342.db2.gz DIHNCKFNPPRFCI-UHFFFAOYSA-N 2 0 326.375 3.462 20 0 EGADRP CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001216348340 1373304200 /nfs/dbraw/zinc/30/42/00/1373304200.db2.gz KELVPFJNSVHQOG-QZTJIDSGSA-N 2 0 325.541 3.125 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC001129328718 1373372423 /nfs/dbraw/zinc/37/24/23/1373372423.db2.gz RVIKTBRHGQTFKJ-OALUTQOASA-N 2 0 345.531 3.048 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001129418621 1373381743 /nfs/dbraw/zinc/38/17/43/1373381743.db2.gz VYAPGIGQLVEPSC-UXHICEINSA-N 2 0 343.515 3.251 20 0 EGADRP C(=C/[NH+]1CCCC1)\c1cccnc1-c1noc(-c2coc3c2C[NH2+]C3)n1 ZINC001217205647 1373405617 /nfs/dbraw/zinc/40/56/17/1373405617.db2.gz IOMPTTLIPFKAPN-WEVVVXLNSA-N 2 0 349.394 3.061 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001130299769 1373487789 /nfs/dbraw/zinc/48/77/89/1373487789.db2.gz CKGCPNAGNNYNFW-LPHOPBHVSA-N 2 0 331.504 3.061 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCC[C@H]2CCC[NH2+]C2)O1 ZINC001217908532 1373511595 /nfs/dbraw/zinc/51/15/95/1373511595.db2.gz JIIPPZRAMPKYKM-UYAOXDASSA-N 2 0 346.515 3.072 20 0 EGADRP c1cc(OCC[NH+]2CCCCCC2)ccc1CO[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001217934718 1373514025 /nfs/dbraw/zinc/51/40/25/1373514025.db2.gz PJWFDIURIPHFMQ-CEWLAPEOSA-N 2 0 344.499 3.351 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]Cc2ccc(C3CC3)cc2)ccc2c[nH+]cn21 ZINC001130658533 1373576205 /nfs/dbraw/zinc/57/62/05/1373576205.db2.gz CDXPBQAUBQFCAY-UHFFFAOYSA-N 2 0 348.450 3.040 20 0 EGADRP Fc1ccccc1C[N@@H+]1CCC[C@@H](Oc2cccc3c2C[NH2+]C3)C1 ZINC001218390433 1373605185 /nfs/dbraw/zinc/60/51/85/1373605185.db2.gz JAEFNNHQFLWQMD-QGZVFWFLSA-N 2 0 326.415 3.472 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)[C@@H]([NH3+])Cc3ccsc3)cc2)CC1 ZINC001218825254 1373657785 /nfs/dbraw/zinc/65/77/85/1373657785.db2.gz VHZJFTHUPBFHBF-SFHVURJKSA-N 2 0 343.496 3.066 20 0 EGADRP Cc1cc(OC(F)F)ccc1NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001218855450 1373661598 /nfs/dbraw/zinc/66/15/98/1373661598.db2.gz IHSBCZMGVXSDGW-AWEZNQCLSA-N 2 0 343.418 3.031 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848273 1373798166 /nfs/dbraw/zinc/79/81/66/1373798166.db2.gz IAJAECXMUPKRIE-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)c1cccc(F)c1 ZINC001131798914 1373809733 /nfs/dbraw/zinc/80/97/33/1373809733.db2.gz DEMFESCZQGNSPX-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001131799086 1373810542 /nfs/dbraw/zinc/81/05/42/1373810542.db2.gz HGQINIPXTFRAGJ-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCCC2CCCC2)CCCCC1 ZINC001131799966 1373811757 /nfs/dbraw/zinc/81/17/57/1373811757.db2.gz YZXIITPKQVPUAB-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP Clc1ccc2c(c1)C1(CN2)CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC001222173305 1373818901 /nfs/dbraw/zinc/81/89/01/1373818901.db2.gz SXRHVTNKAWUWAU-UHFFFAOYSA-N 2 0 333.907 3.489 20 0 EGADRP CC(C)(C)c1[nH]c2ccccc2c1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001222207999 1373821056 /nfs/dbraw/zinc/82/10/56/1373821056.db2.gz IOLSSRFHZAKULI-UHFFFAOYSA-N 2 0 341.499 3.420 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224795474 1375077387 /nfs/dbraw/zinc/07/73/87/1375077387.db2.gz IKFCVKXDQVUDBO-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP COC1CC[NH+](C2(CNC(=[NH2+])Nc3ccc(C)cc3)CCCC2)CC1 ZINC001326948364 1388357244 /nfs/dbraw/zinc/35/72/44/1388357244.db2.gz KCKYEYUOXVZJJN-UHFFFAOYSA-N 2 0 344.503 3.355 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCc2ncc[nH]2)C[N@@H+]1CCC1CCCCC1 ZINC001132024969 1375104080 /nfs/dbraw/zinc/10/40/80/1375104080.db2.gz KWEYYDCXNHOVLS-FUHWJXTLSA-N 2 0 346.519 3.282 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225462877 1375113116 /nfs/dbraw/zinc/11/31/16/1375113116.db2.gz AYGWMHZVAGKTDY-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132203346 1375207177 /nfs/dbraw/zinc/20/71/77/1375207177.db2.gz ORSAMPFBPSXWJE-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214330 1375213709 /nfs/dbraw/zinc/21/37/09/1375213709.db2.gz FTMDPIOBABKKEB-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214234 1375214202 /nfs/dbraw/zinc/21/42/02/1375214202.db2.gz DVSXUNCXIGUWSU-ZWKOTPCHSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297621 1375235193 /nfs/dbraw/zinc/23/51/93/1375235193.db2.gz WORYQIGHNMVAMS-IPMKNSEASA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132265584 1375254007 /nfs/dbraw/zinc/25/40/07/1375254007.db2.gz PEIAJTBYPFBJME-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCCC1CCCC1 ZINC001132269065 1375256309 /nfs/dbraw/zinc/25/63/09/1375256309.db2.gz DVDJFPOPPAKRRK-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCC1CCCCC1 ZINC001132269662 1375257975 /nfs/dbraw/zinc/25/79/75/1375257975.db2.gz NINXXBXUGVAOSE-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001132273843 1375260150 /nfs/dbraw/zinc/26/01/50/1375260150.db2.gz KVCRBWMZSBBRLM-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132339890 1375318751 /nfs/dbraw/zinc/31/87/51/1375318751.db2.gz KZPNEVLAILHFDR-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340054 1375319075 /nfs/dbraw/zinc/31/90/75/1375319075.db2.gz MFPUJHMFWFZXIH-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340272 1375320323 /nfs/dbraw/zinc/32/03/23/1375320323.db2.gz PLEJRQRZOGMZFE-CWHLKURSSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380232 1375341502 /nfs/dbraw/zinc/34/15/02/1375341502.db2.gz HDEPOSIDSLWTDM-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226891863 1375353690 /nfs/dbraw/zinc/35/36/90/1375353690.db2.gz VNCVDFKZQVHBIF-IPMKNSEASA-N 2 0 337.552 3.458 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132410706 1375359484 /nfs/dbraw/zinc/35/94/84/1375359484.db2.gz NADOOFHAKUFQJX-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132411054 1375359732 /nfs/dbraw/zinc/35/97/32/1375359732.db2.gz SFVIJBKZAIOAPO-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132411356 1375360226 /nfs/dbraw/zinc/36/02/26/1375360226.db2.gz YKIFHAYLUQYGMF-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001226941732 1375364427 /nfs/dbraw/zinc/36/44/27/1375364427.db2.gz GAPVUZUYERGKTL-AQNXPRMDSA-N 2 0 349.563 3.480 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132420283 1375369720 /nfs/dbraw/zinc/36/97/20/1375369720.db2.gz PZJIRFJQJYPKMV-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001227091457 1375388603 /nfs/dbraw/zinc/38/86/03/1375388603.db2.gz NMJZGTUEHNKUBP-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001227149725 1375397617 /nfs/dbraw/zinc/39/76/17/1375397617.db2.gz DLRHFNMNNKUQDM-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC001227150621 1375397647 /nfs/dbraw/zinc/39/76/47/1375397647.db2.gz WQEKIXYWHBTFOV-KZNAEPCWSA-N 2 0 339.568 3.416 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001227218353 1375407792 /nfs/dbraw/zinc/40/77/92/1375407792.db2.gz UXDUHOAQEALUOX-RTBURBONSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCC1CCCC1 ZINC001132519190 1375436689 /nfs/dbraw/zinc/43/66/89/1375436689.db2.gz UWUWVEYWKKBQJV-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCC1CCCC1 ZINC001132519191 1375437506 /nfs/dbraw/zinc/43/75/06/1375437506.db2.gz UWUWVEYWKKBQJV-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519474 1375437681 /nfs/dbraw/zinc/43/76/81/1375437681.db2.gz ZJRDHWWFOAVEAD-WWAPKCSDSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703940 1375464308 /nfs/dbraw/zinc/46/43/08/1375464308.db2.gz OVZBQOXIOJDRPG-HJNCVVPOSA-N 2 0 347.547 3.234 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227793032 1375475686 /nfs/dbraw/zinc/47/56/86/1375475686.db2.gz XJZRDFDDIJIJRX-LJQANCHMSA-N 2 0 337.552 3.410 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001228138859 1375520087 /nfs/dbraw/zinc/52/00/87/1375520087.db2.gz YNFYZTPSTPMGBQ-IPMKNSEASA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001228435092 1375571941 /nfs/dbraw/zinc/57/19/41/1375571941.db2.gz KSRDDZKXDPHFBO-VAMGGRTRSA-N 2 0 345.531 3.098 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132832812 1375589923 /nfs/dbraw/zinc/58/99/23/1375589923.db2.gz ZZUHPCDZQRRSOT-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001228595027 1375608999 /nfs/dbraw/zinc/60/89/99/1375608999.db2.gz QUBAHYFBNCIPRC-KZNAEPCWSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCC1CCCC1 ZINC001132892326 1375628921 /nfs/dbraw/zinc/62/89/21/1375628921.db2.gz DJDYKXFJNFDJLP-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC001228661495 1375631225 /nfs/dbraw/zinc/63/12/25/1375631225.db2.gz WECRDXYPILLFME-QRVBRYPASA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941213 1375660658 /nfs/dbraw/zinc/66/06/58/1375660658.db2.gz HZCQAIYHJSGSIV-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)c2occc2C[NH+](C)C)c1 ZINC001132985747 1375695381 /nfs/dbraw/zinc/69/53/81/1375695381.db2.gz QARAMQRJSRLLJP-MRXNPFEDSA-N 2 0 343.471 3.039 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)[NH+]1CCCCCC1 ZINC001228932789 1375720776 /nfs/dbraw/zinc/72/07/76/1375720776.db2.gz WKEVAMMKKZGNDB-BKDUDQBXSA-N 2 0 341.927 3.020 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001229058019 1375753893 /nfs/dbraw/zinc/75/38/93/1375753893.db2.gz DAMSHEPUWXRQAU-HNAYVOBHSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001229200294 1375786083 /nfs/dbraw/zinc/78/60/83/1375786083.db2.gz OJIAPJIUHHCXHK-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133176988 1375825315 /nfs/dbraw/zinc/82/53/15/1375825315.db2.gz BQRKJFARQYUJHO-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001229544989 1375853295 /nfs/dbraw/zinc/85/32/95/1375853295.db2.gz OYOBPQRZMPZRIQ-UVEXCMSLSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H](c1cccc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c1)[NH+](C)C ZINC001229625860 1375868575 /nfs/dbraw/zinc/86/85/75/1375868575.db2.gz INWCKLSSRIAGSJ-QFBILLFUSA-N 2 0 332.488 3.331 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001327148615 1388406777 /nfs/dbraw/zinc/40/67/77/1388406777.db2.gz UQRRWOAGGJQWCC-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133274494 1375888495 /nfs/dbraw/zinc/88/84/95/1375888495.db2.gz IYMLSAKRKKHALN-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133274492 1375889250 /nfs/dbraw/zinc/88/92/50/1375889250.db2.gz IYMLSAKRKKHALN-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC001229877740 1375910344 /nfs/dbraw/zinc/91/03/44/1375910344.db2.gz ZJUBLGLUEPTXEQ-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001133309500 1375914141 /nfs/dbraw/zinc/91/41/41/1375914141.db2.gz DOEGLQXIDZUFBX-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133347211 1375935836 /nfs/dbraw/zinc/93/58/36/1375935836.db2.gz UVLBTVAUCDZIPY-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133359584 1375943485 /nfs/dbraw/zinc/94/34/85/1375943485.db2.gz IDAQMYFFUSBENN-UXHICEINSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001230349326 1376005336 /nfs/dbraw/zinc/00/53/36/1376005336.db2.gz UGSUDJXCXBITKA-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001230349099 1376005771 /nfs/dbraw/zinc/00/57/71/1376005771.db2.gz HPUZEWKSIFBJLM-WAYWQWQTSA-N 2 0 343.515 3.299 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001230349221 1376006181 /nfs/dbraw/zinc/00/61/81/1376006181.db2.gz OQBKAIIEHVLETL-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001230359763 1376008030 /nfs/dbraw/zinc/00/80/30/1376008030.db2.gz IYTRMBPEFUKRAC-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230378380 1376011024 /nfs/dbraw/zinc/01/10/24/1376011024.db2.gz MBRJZNPCSDONSS-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230538554 1376062056 /nfs/dbraw/zinc/06/20/56/1376062056.db2.gz VVHXZJBLWTYKNG-WEPWYQGCSA-N 2 0 347.547 3.140 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592034 1376090493 /nfs/dbraw/zinc/09/04/93/1376090493.db2.gz QCJNWGAPPFMTTK-XJDXJNMNSA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230597953 1376092955 /nfs/dbraw/zinc/09/29/55/1376092955.db2.gz ARLFVEDHJGFNQG-RLFQVEEXSA-N 2 0 349.563 3.386 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610475 1376099301 /nfs/dbraw/zinc/09/93/01/1376099301.db2.gz BZEBFSDTGWJYPK-AQWUKCDYSA-N 2 0 349.563 3.388 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001133823598 1376219479 /nfs/dbraw/zinc/21/94/79/1376219479.db2.gz KIMZPQBBRXPPCM-IAGOWNOFSA-N 2 0 345.531 3.235 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001327187105 1388429960 /nfs/dbraw/zinc/42/99/60/1388429960.db2.gz AQEBHHUHUBNYNQ-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4c[nH]c5cnccc45)C[C@H]3C2)cc1 ZINC001231517524 1376254346 /nfs/dbraw/zinc/25/43/46/1376254346.db2.gz XEYUCNVJPZUKIU-WOJBJXKFSA-N 2 0 346.478 3.435 20 0 EGADRP CCOc1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001231658105 1376297169 /nfs/dbraw/zinc/29/71/69/1376297169.db2.gz UGQXDUZRUHLVFX-HXUWFJFHSA-N 2 0 339.483 3.434 20 0 EGADRP Cc1cc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cnc1F ZINC001231927555 1376353257 /nfs/dbraw/zinc/35/32/57/1376353257.db2.gz CTKFJZMDOQKOSN-CALCHBBNSA-N 2 0 329.419 3.076 20 0 EGADRP CC(C)(C)OC(=O)N1CCN(Cc2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001232014882 1376385047 /nfs/dbraw/zinc/38/50/47/1376385047.db2.gz WDTNBXGCIUFDTF-UHFFFAOYSA-N 2 0 344.459 3.394 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccnc2c(F)cccc12 ZINC001232211606 1376418591 /nfs/dbraw/zinc/41/85/91/1376418591.db2.gz HPSUBVAFIXIFTD-UHFFFAOYSA-N 2 0 346.494 3.079 20 0 EGADRP Nc1ccc(F)cc1CN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001232509906 1376471979 /nfs/dbraw/zinc/47/19/79/1376471979.db2.gz YANSLYGAJVZFBZ-GASCZTMLSA-N 2 0 331.460 3.033 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(Cc3cnc(OC)c4ccccc34)C[C@H]2C1 ZINC001232950494 1376545543 /nfs/dbraw/zinc/54/55/43/1376545543.db2.gz GNYVRMPCXGTPFT-CALCHBBNSA-N 2 0 325.456 3.017 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134521176 1376575158 /nfs/dbraw/zinc/57/51/58/1376575158.db2.gz XICKCAPDPRIYJK-UONOGXRCSA-N 2 0 325.522 3.096 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134521177 1376575256 /nfs/dbraw/zinc/57/52/56/1376575256.db2.gz XICKCAPDPRIYJK-ZIAGYGMSSA-N 2 0 325.522 3.096 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584238 1376607894 /nfs/dbraw/zinc/60/78/94/1376607894.db2.gz SDZCFAAPQDBVHD-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(CF)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583821 1376608357 /nfs/dbraw/zinc/60/83/57/1376608357.db2.gz OTQFSWXSSWFSJP-HZPDHXFCSA-N 2 0 349.494 3.013 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583792 1376608613 /nfs/dbraw/zinc/60/86/13/1376608613.db2.gz OJDCSMBUCAKRNH-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134584011 1376608744 /nfs/dbraw/zinc/60/87/44/1376608744.db2.gz QJGIPLUWIXDDRF-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001233337985 1376621894 /nfs/dbraw/zinc/62/18/94/1376621894.db2.gz ZRXZFCOYWPNOPJ-SJORKVTESA-N 2 0 345.487 3.417 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C\c1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607736 1376622383 /nfs/dbraw/zinc/62/23/83/1376622383.db2.gz KUDHBXXHRVVLLO-GCGULEOZSA-N 2 0 343.515 3.057 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608638 1376623547 /nfs/dbraw/zinc/62/35/47/1376623547.db2.gz YEHCMWRZHXEJPP-JKSUJKDBSA-N 2 0 349.494 3.013 20 0 EGADRP C[C@@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)[NH+]1CCCCCC1 ZINC001134756650 1376702224 /nfs/dbraw/zinc/70/22/24/1376702224.db2.gz HUYPUDDPGDCKEZ-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001134765980 1376709938 /nfs/dbraw/zinc/70/99/38/1376709938.db2.gz BRHCHTAGHYDLAZ-UYAOXDASSA-N 2 0 345.531 3.333 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001134773138 1376713968 /nfs/dbraw/zinc/71/39/68/1376713968.db2.gz LSHCMHADIJVRGC-IAGOWNOFSA-N 2 0 333.520 3.098 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773351 1376714246 /nfs/dbraw/zinc/71/42/46/1376714246.db2.gz NXTLMXYKRMIARZ-IRXDYDNUSA-N 2 0 347.547 3.352 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001134780473 1376716802 /nfs/dbraw/zinc/71/68/02/1376716802.db2.gz IPUZBOFNPZACJB-QGZVFWFLSA-N 2 0 345.531 3.309 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790400 1376723075 /nfs/dbraw/zinc/72/30/75/1376723075.db2.gz BUTCQIMIPRTQNF-TYJMOYENSA-N 2 0 343.943 3.265 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858848 1376758280 /nfs/dbraw/zinc/75/82/80/1376758280.db2.gz ZEXFTQVNJKCUAP-DFOOCIKTSA-N 2 0 335.536 3.234 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858852 1376758432 /nfs/dbraw/zinc/75/84/32/1376758432.db2.gz ZEXFTQVNJKCUAP-XXCOWLKOSA-N 2 0 335.536 3.234 20 0 EGADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC001235020005 1376827972 /nfs/dbraw/zinc/82/79/72/1376827972.db2.gz CGRGSQAIUOOWOF-KRWDZBQOSA-N 2 0 326.484 3.488 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038170 1376836507 /nfs/dbraw/zinc/83/65/07/1376836507.db2.gz DJJFKZUZEIBDEL-JXFKEZNVSA-N 2 0 330.472 3.202 20 0 EGADRP CCCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235039396 1376838095 /nfs/dbraw/zinc/83/80/95/1376838095.db2.gz ZOONNJSMKRYVTM-UYAOXDASSA-N 2 0 332.488 3.066 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427564 1376869963 /nfs/dbraw/zinc/86/99/63/1376869963.db2.gz MELBOJLOLLKKKW-RTBURBONSA-N 2 0 330.472 3.075 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081002 1376883679 /nfs/dbraw/zinc/88/36/79/1376883679.db2.gz FMFQAOXGVQADMS-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235704846 1376885425 /nfs/dbraw/zinc/88/54/25/1376885425.db2.gz AGAGXKROYYKVBE-UHFFFAOYSA-N 2 0 332.536 3.467 20 0 EGADRP CC[N@H+](Cc1c(OC)cc(OC)c2ccccc21)C1CC[NH2+]CC1 ZINC001235764521 1376890227 /nfs/dbraw/zinc/89/02/27/1376890227.db2.gz ILMOTKMOLLVFOB-UHFFFAOYSA-N 2 0 328.456 3.431 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135100076 1376898451 /nfs/dbraw/zinc/89/84/51/1376898451.db2.gz AWBKVCWFPMPCCA-QZTJIDSGSA-N 2 0 337.552 3.338 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102088 1376899192 /nfs/dbraw/zinc/89/91/92/1376899192.db2.gz WTOCYCLQAOXSAF-MSOLQXFVSA-N 2 0 347.547 3.323 20 0 EGADRP c1ccc(C[C@H]2C[NH2+]CCN2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235846954 1376900605 /nfs/dbraw/zinc/90/06/05/1376900605.db2.gz AMPKTWGEQWPTEO-PKTZIBPZSA-N 2 0 349.522 3.025 20 0 EGADRP Clc1cc(-n2ccnc2)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235886991 1376910819 /nfs/dbraw/zinc/91/08/19/1376910819.db2.gz BIHBADXDAWDCEO-LJQANCHMSA-N 2 0 344.890 3.490 20 0 EGADRP CCC[N@H+](Cc1ccc(OC)c(OCC2CC2)c1)C1CC[NH2+]CC1 ZINC001236181795 1376939336 /nfs/dbraw/zinc/93/93/36/1376939336.db2.gz GAKRLEHAHLUFBA-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP CC1(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240313 1376944164 /nfs/dbraw/zinc/94/41/64/1376944164.db2.gz NAFRGSHAMDYBHT-QFIPXVFZSA-N 3 0 341.543 3.364 20 0 EGADRP COc1ccccc1C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701363 1376962401 /nfs/dbraw/zinc/96/24/01/1376962401.db2.gz RFCVYYKTHOVDQY-MISYRCLQSA-N 3 0 345.531 3.157 20 0 EGADRP CCC[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843862 1376966779 /nfs/dbraw/zinc/96/67/79/1376966779.db2.gz RTWZOUDNWCGWAF-MRXNPFEDSA-N 2 0 332.879 3.347 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135297822 1377026521 /nfs/dbraw/zinc/02/65/21/1377026521.db2.gz HWVLLGMFYZBTLA-HUUCEWRRSA-N 2 0 337.508 3.264 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299764 1377027195 /nfs/dbraw/zinc/02/71/95/1377027195.db2.gz ZSNMCUVGXWNHQE-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC/C=C\c1ccccc1)NC(=O)CCC[NH+](C)C ZINC001135315150 1377033571 /nfs/dbraw/zinc/03/35/71/1377033571.db2.gz MQZSXYWVJAGOPV-YEKGQSIQSA-N 2 0 345.531 3.305 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314864 1377033824 /nfs/dbraw/zinc/03/38/24/1377033824.db2.gz IEVHKGUIPQJMLL-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CCC2CCCCCC2)cc1 ZINC001135336890 1377044803 /nfs/dbraw/zinc/04/48/03/1377044803.db2.gz OBSKOZYLIRKTLF-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP c1ccc(C[C@@H](CN2CCCC2)[NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246297484 1377050784 /nfs/dbraw/zinc/05/07/84/1377050784.db2.gz GMXUJFJSGVACAT-FKBYEOEOSA-N 2 0 341.543 3.205 20 0 EGADRP CC[C@H]1CC(NC2(Cc3ccccc3F)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246380963 1377051509 /nfs/dbraw/zinc/05/15/09/1377051509.db2.gz LJQNZPRBXUHCTD-ROUUACIJSA-N 2 0 347.522 3.389 20 0 EGADRP C[N@H+](Cc1ccc2c(c1)OCCO2)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246544984 1377052293 /nfs/dbraw/zinc/05/22/93/1377052293.db2.gz FNBZEQIDEOCFFN-UHFFFAOYSA-N 2 0 330.472 3.202 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@@H+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001246546923 1377052412 /nfs/dbraw/zinc/05/24/12/1377052412.db2.gz HNZGOZOTDYLWHT-GOSISDBHSA-N 2 0 339.886 3.462 20 0 EGADRP C[C@H]1C[N@@H+](C2CCC(C3CCC4(CC3)OCCO4)CC2)C[C@H]1C[NH3+] ZINC001246541541 1377052571 /nfs/dbraw/zinc/05/25/71/1377052571.db2.gz MAVJRFYGMZTSCK-MEWCUZTCSA-N 2 0 336.520 3.005 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CCN([C@@H]4C[NH2+][C@@H](C)C4)CC3)CC2)cc1 ZINC001246716340 1377053049 /nfs/dbraw/zinc/05/30/49/1377053049.db2.gz UNOFRFYRPZVBGX-FPOVZHCZSA-N 2 0 341.543 3.423 20 0 EGADRP CC(C)(C)c1ccc(C[NH+]2CCN([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246820841 1377055191 /nfs/dbraw/zinc/05/51/91/1377055191.db2.gz YEQQIJLJRHAPIV-FQEVSTJZSA-N 2 0 329.532 3.244 20 0 EGADRP [NH3+]CCN(Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246820900 1377055409 /nfs/dbraw/zinc/05/54/09/1377055409.db2.gz KSZVVPIUEIVYFM-ZSHCYNCHSA-N 2 0 342.314 3.427 20 0 EGADRP Fc1ccccc1CN([C@@H]1CCC[NH2+]C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246938518 1377055620 /nfs/dbraw/zinc/05/56/20/1377055620.db2.gz OVQAVRKNDXIKDV-HCXYKTFWSA-N 2 0 331.479 3.053 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001135371649 1377059798 /nfs/dbraw/zinc/05/97/98/1377059798.db2.gz HDTFATNMSRIYAR-SJORKVTESA-N 2 0 347.547 3.309 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001135437108 1377096585 /nfs/dbraw/zinc/09/65/85/1377096585.db2.gz NOPPVIPFXNORKC-ZROIWOOFSA-N 2 0 345.531 3.308 20 0 EGADRP [NH3+]C1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254373267 1377103350 /nfs/dbraw/zinc/10/33/50/1377103350.db2.gz ZWVWXJGEOWVPJP-HNNXBMFYSA-N 2 0 328.378 3.134 20 0 EGADRP CC[N@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254530076 1377106763 /nfs/dbraw/zinc/10/67/63/1377106763.db2.gz UPMFWLMHGNUQGE-DLBZAZTESA-N 2 0 339.524 3.192 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254527398 1377107009 /nfs/dbraw/zinc/10/70/09/1377107009.db2.gz XSCHHTIQNPDTKC-KRWDZBQOSA-N 2 0 326.488 3.237 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475553 1377110174 /nfs/dbraw/zinc/11/01/74/1377110174.db2.gz CEFMXAZREWEKSC-QZTJIDSGSA-N 2 0 349.563 3.482 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)C(C)C ZINC001135474050 1377110329 /nfs/dbraw/zinc/11/03/29/1377110329.db2.gz FUKUZAQUZGWUTQ-FQEVSTJZSA-N 2 0 345.531 3.136 20 0 EGADRP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H](C)CCC(C)C)CCC2 ZINC001256365773 1377111652 /nfs/dbraw/zinc/11/16/52/1377111652.db2.gz SUGYEMSUSQPZON-KRWDZBQOSA-N 2 0 348.535 3.116 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001135511719 1377122957 /nfs/dbraw/zinc/12/29/57/1377122957.db2.gz ZTZYYKWCBAWMEK-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613263 1377161693 /nfs/dbraw/zinc/16/16/93/1377161693.db2.gz DVCYUXPZKNLVQB-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676413 1377180805 /nfs/dbraw/zinc/18/08/05/1377180805.db2.gz WOKSDFCZIMEILJ-IAGOWNOFSA-N 2 0 345.531 3.425 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135789416 1377211753 /nfs/dbraw/zinc/21/17/53/1377211753.db2.gz UPEPTGGBTYFCAI-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135860552 1377238144 /nfs/dbraw/zinc/23/81/44/1377238144.db2.gz DKVTUEDZAQWWTP-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC1CCCC1 ZINC001135901847 1377255389 /nfs/dbraw/zinc/25/53/89/1377255389.db2.gz LBBAIBSAPVEUDR-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901355 1377255558 /nfs/dbraw/zinc/25/55/58/1377255558.db2.gz HBTDCTYWNQUNTA-DLBZAZTESA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901844 1377255612 /nfs/dbraw/zinc/25/56/12/1377255612.db2.gz LBBAIBSAPVEUDR-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935490 1377269141 /nfs/dbraw/zinc/26/91/41/1377269141.db2.gz UMQYZUPPOPIEGU-JKSUJKDBSA-N 2 0 344.503 3.135 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961109 1377277678 /nfs/dbraw/zinc/27/76/78/1377277678.db2.gz LSSQHZGBDZQDOC-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135974472 1377283948 /nfs/dbraw/zinc/28/39/48/1377283948.db2.gz PTYKKYWOEDNLHE-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CCCC[NH+](C)C ZINC001135976695 1377284686 /nfs/dbraw/zinc/28/46/86/1377284686.db2.gz LTYLJGNJSJLBOT-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001135995159 1377291846 /nfs/dbraw/zinc/29/18/46/1377291846.db2.gz AEIKYSGTXXHJRY-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135995153 1377291873 /nfs/dbraw/zinc/29/18/73/1377291873.db2.gz AAEPVMZJXMVFEN-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001135995585 1377292332 /nfs/dbraw/zinc/29/23/32/1377292332.db2.gz IDBXBALQVLERBM-ZWKOTPCHSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135996354 1377292355 /nfs/dbraw/zinc/29/23/55/1377292355.db2.gz RSIBTRWGNSBJQF-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)c1 ZINC001266361001 1377295812 /nfs/dbraw/zinc/29/58/12/1377295812.db2.gz HKNFPDTUHNWHRZ-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266858298 1377397960 /nfs/dbraw/zinc/39/79/60/1377397960.db2.gz RZBPQNGPPXDXBF-VQTJNVASSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001266986976 1377407853 /nfs/dbraw/zinc/40/78/53/1377407853.db2.gz GSCXCITWGBBPDM-AEFFLSMTSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)C[N@H+](C)CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001267604035 1377463895 /nfs/dbraw/zinc/46/38/95/1377463895.db2.gz HWJYUIKXRHKYBH-UHFFFAOYSA-N 2 0 345.531 3.188 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001267789548 1377469018 /nfs/dbraw/zinc/46/90/18/1377469018.db2.gz IWYLLTGDHNUJTE-SJORKVTESA-N 2 0 349.494 3.151 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(-n2ccnn2)cc1 ZINC001137368107 1377533789 /nfs/dbraw/zinc/53/37/89/1377533789.db2.gz DOZNOATVFHROMK-VQTJNVASSA-N 2 0 339.487 3.106 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)ccn1 ZINC001137411601 1377543157 /nfs/dbraw/zinc/54/31/57/1377543157.db2.gz GOHPDHNXMWFIJN-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP COC(=O)c1ccc2c(CN3CCC([N@H+](C)C4CC4)CC3)c[nH]c2c1 ZINC001138267562 1377696312 /nfs/dbraw/zinc/69/63/12/1377696312.db2.gz RNPKFNUMMVOBSV-UHFFFAOYSA-N 2 0 341.455 3.013 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138314835 1377701248 /nfs/dbraw/zinc/70/12/48/1377701248.db2.gz PEAGYEDGQHHTSR-UHFFFAOYSA-N 2 0 342.531 3.145 20 0 EGADRP Cc1nccn1-c1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)cc1 ZINC001138547779 1377740066 /nfs/dbraw/zinc/74/00/66/1377740066.db2.gz VDLBNUOFARFHES-UHFFFAOYSA-N 2 0 349.438 3.014 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(Oc4ncccn4)c3)C2)CC1 ZINC001138621060 1377754809 /nfs/dbraw/zinc/75/48/09/1377754809.db2.gz JILYDJDRGPUJPI-UHFFFAOYSA-N 2 0 338.455 3.187 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cnc2[nH]ccc2c1 ZINC001138738319 1377776513 /nfs/dbraw/zinc/77/65/13/1377776513.db2.gz QZDINCUZNMCEDT-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP CCCn1cc(CN2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cn1 ZINC001139037291 1377820581 /nfs/dbraw/zinc/82/05/81/1377820581.db2.gz JOOHTBVAEAUQNB-UHFFFAOYSA-N 2 0 349.482 3.472 20 0 EGADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1-n1cncn1 ZINC001139422117 1377881436 /nfs/dbraw/zinc/88/14/36/1377881436.db2.gz PRCCNCWRNQWGKY-UHFFFAOYSA-N 2 0 344.422 3.085 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3cc4ccc(Br)cc4[nH]3)C2)CC1 ZINC001139472938 1377890612 /nfs/dbraw/zinc/89/06/12/1377890612.db2.gz HYSOZBLCUOUBLI-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)ccc1O ZINC001140578217 1378088723 /nfs/dbraw/zinc/08/87/23/1378088723.db2.gz YMNAXJCAGNLPRW-UXHICEINSA-N 2 0 337.467 3.050 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(CO)o1)CC2 ZINC001140680130 1378112658 /nfs/dbraw/zinc/11/26/58/1378112658.db2.gz PKJAGJKGKSVANP-IBGZPJMESA-N 2 0 344.455 3.242 20 0 EGADRP CC[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)[NH+](CC)CC ZINC001140895871 1378174391 /nfs/dbraw/zinc/17/43/91/1378174391.db2.gz HKYUAWPNFODAEF-ICSRJNTNSA-N 2 0 345.531 3.087 20 0 EGADRP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001276717610 1378184547 /nfs/dbraw/zinc/18/45/47/1378184547.db2.gz AFMUSRKHJUPJOE-QGZVFWFLSA-N 2 0 349.544 3.166 20 0 EGADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cscc3Br)C[C@H]2CC1 ZINC001276873273 1378190479 /nfs/dbraw/zinc/19/04/79/1378190479.db2.gz SSCAZCTYBYKDAK-TXEJJXNPSA-N 2 0 329.307 3.284 20 0 EGADRP CC1CC(C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)C2CCCCCC2)C1 ZINC001277382099 1378221386 /nfs/dbraw/zinc/22/13/86/1378221386.db2.gz GEMFYLKDONMFDY-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP COc1ccc(C(F)(F)F)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001141202416 1378267020 /nfs/dbraw/zinc/26/70/20/1378267020.db2.gz GGYPPJUGZKFRPW-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263111 1378571695 /nfs/dbraw/zinc/57/16/95/1378571695.db2.gz VFWIMHSYHGWWFN-HNNXBMFYSA-N 2 0 332.341 3.252 20 0 EGADRP C[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)CC1CC[NH+](C)CC1 ZINC001143542520 1378613342 /nfs/dbraw/zinc/61/33/42/1378613342.db2.gz DRILJFCJQUNJKV-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC001144443911 1378732677 /nfs/dbraw/zinc/73/26/77/1378732677.db2.gz DJWLSQXNHLQHJA-UHFFFAOYSA-N 2 0 348.462 3.166 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717261 1378763395 /nfs/dbraw/zinc/76/33/95/1378763395.db2.gz HIJQYILCUNMOKE-UHFFFAOYSA-N 2 0 328.504 3.017 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001146384491 1378831969 /nfs/dbraw/zinc/83/19/69/1378831969.db2.gz TZNAVCLDKFUFED-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001146535742 1378862360 /nfs/dbraw/zinc/86/23/60/1378862360.db2.gz NVCXFXDOLSUIGV-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C)[NH2+]CC1CCCC1 ZINC001146583919 1378870476 /nfs/dbraw/zinc/87/04/76/1378870476.db2.gz PVSHQDWIUMSBAG-SJORKVTESA-N 2 0 345.531 3.425 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001146592687 1378873101 /nfs/dbraw/zinc/87/31/01/1378873101.db2.gz KKNUOHGEIWFFIC-HZPDHXFCSA-N 2 0 345.487 3.146 20 0 EGADRP Cc1ccc(CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146590805 1378873947 /nfs/dbraw/zinc/87/39/47/1378873947.db2.gz BBOGUEFFQCSVLN-RBUKOAKNSA-N 2 0 347.547 3.141 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146614314 1378877826 /nfs/dbraw/zinc/87/78/26/1378877826.db2.gz XTDUPRGHPGHDBE-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001147359379 1379009021 /nfs/dbraw/zinc/00/90/21/1379009021.db2.gz PZLYTKNHCFSBFB-MJGOQNOKSA-N 2 0 331.504 3.108 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001147359377 1379009092 /nfs/dbraw/zinc/00/90/92/1379009092.db2.gz PZLYTKNHCFSBFB-HKUYNNGSSA-N 2 0 331.504 3.108 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC001147456950 1379025386 /nfs/dbraw/zinc/02/53/86/1379025386.db2.gz AJWJCQKGHZEYQL-FQEVSTJZSA-N 2 0 343.515 3.276 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147841064 1379089190 /nfs/dbraw/zinc/08/91/90/1379089190.db2.gz JHYWFGLZDFHEIF-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611887 1379225885 /nfs/dbraw/zinc/22/58/85/1379225885.db2.gz RASKJXZWPZPLJZ-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001148819990 1379275625 /nfs/dbraw/zinc/27/56/25/1379275625.db2.gz SFZHFYKKEDHZOC-HDICACEKSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001152245846 1379892882 /nfs/dbraw/zinc/89/28/82/1379892882.db2.gz NOUZLAWBCKRLJO-ZWKOTPCHSA-N 2 0 345.531 3.284 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393609 1379925640 /nfs/dbraw/zinc/92/56/40/1379925640.db2.gz RCHQNCXPKXLLLY-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC001152471625 1379939454 /nfs/dbraw/zinc/93/94/54/1379939454.db2.gz NBRBOMQZVYHMJF-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CC2CC3(CCC3)C2)o1 ZINC001153266336 1380046634 /nfs/dbraw/zinc/04/66/34/1380046634.db2.gz CNOPPLNPFGCVLI-UHFFFAOYSA-N 2 0 347.503 3.021 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313649 1380054215 /nfs/dbraw/zinc/05/42/15/1380054215.db2.gz UTBSKUBNJJFETK-QZTJIDSGSA-N 2 0 325.541 3.122 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312956 1380053457 /nfs/dbraw/zinc/05/34/57/1380053457.db2.gz NZIIILDNTPRVIK-AEFFLSMTSA-N 2 0 337.552 3.122 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368368 1380066237 /nfs/dbraw/zinc/06/62/37/1380066237.db2.gz KXIJHDLRGFYXOW-QGZVFWFLSA-N 2 0 325.541 3.268 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819425 1380136929 /nfs/dbraw/zinc/13/69/29/1380136929.db2.gz YYAYARRCXGEDKJ-APWZRJJASA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823812 1380137814 /nfs/dbraw/zinc/13/78/14/1380137814.db2.gz AGTBPPIELWHJBB-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153891203 1380149918 /nfs/dbraw/zinc/14/99/18/1380149918.db2.gz QRTQHODZIJVGMR-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099956 1380207588 /nfs/dbraw/zinc/20/75/88/1380207588.db2.gz WAGFYVMFZKASIJ-HZPDHXFCSA-N 2 0 343.531 3.214 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)[NH+](C)C ZINC001154465863 1380283107 /nfs/dbraw/zinc/28/31/07/1380283107.db2.gz NRLLEOQEDWUILG-IEBWSBKVSA-N 2 0 345.531 3.367 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904225 1380374638 /nfs/dbraw/zinc/37/46/38/1380374638.db2.gz QGKLDDCFHMJDJB-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999070 1380387855 /nfs/dbraw/zinc/38/78/55/1380387855.db2.gz BAXSHRAKEZHRDM-QGZVFWFLSA-N 2 0 347.547 3.262 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263648 1380430193 /nfs/dbraw/zinc/43/01/93/1380430193.db2.gz UYEMOEADCIKAJJ-ZWKOTPCHSA-N 2 0 341.584 3.473 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611863 1380473424 /nfs/dbraw/zinc/47/34/24/1380473424.db2.gz IYJZQQXJJIODBQ-RTBURBONSA-N 2 0 345.531 3.278 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155619917 1380474960 /nfs/dbraw/zinc/47/49/60/1380474960.db2.gz CAEZHWRATWHXQS-MSOLQXFVSA-N 2 0 325.541 3.122 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838746 1380497951 /nfs/dbraw/zinc/49/79/51/1380497951.db2.gz DHTSWUHSWRIFPF-DLBZAZTESA-N 2 0 333.520 3.235 20 0 EGADRP Cc1c(C)n(-c2cccc(N3CCC([NH3+])CC3)n2)c2ccc(C[NH3+])cc12 ZINC001155907037 1380504548 /nfs/dbraw/zinc/50/45/48/1380504548.db2.gz PAPQQGUJPYWCER-UHFFFAOYSA-N 2 0 349.482 3.029 20 0 EGADRP c1cn(-c2cc(N3CCCC3)cc[nH+]2)c2ccc(N3CC[NH2+]CC3)cc12 ZINC001156215067 1380543486 /nfs/dbraw/zinc/54/34/86/1380543486.db2.gz BPRODXXKKZPRTJ-UHFFFAOYSA-N 2 0 347.466 3.035 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@H+](CC)C/C=C\Cl ZINC001156318450 1380557171 /nfs/dbraw/zinc/55/71/71/1380557171.db2.gz BDNMQKFUDBWYJD-FPISAVPCSA-N 2 0 345.959 3.468 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2cncc(Br)c2)C1 ZINC001328083709 1388666081 /nfs/dbraw/zinc/66/60/81/1388666081.db2.gz DYOXMQFUUSSXQB-QWHCGFSZSA-N 2 0 326.282 3.227 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCC1CCCCC1 ZINC001156524826 1380588094 /nfs/dbraw/zinc/58/80/94/1380588094.db2.gz CXHQZNBOZFSWCU-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCC[NH+](CCCC)CCNc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001156904602 1380722267 /nfs/dbraw/zinc/72/22/67/1380722267.db2.gz DEAWQXVVTXWZMU-UHFFFAOYSA-N 2 0 339.915 3.090 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(NCCC[N@@H+]3CCCC[C@H]3C)[nH+]cc21 ZINC001156927477 1380730919 /nfs/dbraw/zinc/73/09/19/1380730919.db2.gz FCACKCKRSRBUMN-CQSZACIVSA-N 2 0 344.459 3.416 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086200 1380772042 /nfs/dbraw/zinc/77/20/42/1380772042.db2.gz IFOZYJYVKCOURQ-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118684 1380779928 /nfs/dbraw/zinc/77/99/28/1380779928.db2.gz KREIGQVODHFCCT-IEBWSBKVSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157119370 1380781350 /nfs/dbraw/zinc/78/13/50/1380781350.db2.gz VUINCJWEMXCQBN-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC1([NH+]2CCCC2)CCN(c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001157659703 1380991944 /nfs/dbraw/zinc/99/19/44/1380991944.db2.gz JRFYBYBGGZTTFQ-UHFFFAOYSA-N 2 0 328.504 3.132 20 0 EGADRP CC(C)(C)CN(c1ccc(C[NH+]2CCCC2)cn1)C1CC[NH2+]CC1 ZINC001157891490 1381061587 /nfs/dbraw/zinc/06/15/87/1381061587.db2.gz CDCSHXCYHPGWEJ-UHFFFAOYSA-N 2 0 330.520 3.282 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001157893216 1381063247 /nfs/dbraw/zinc/06/32/47/1381063247.db2.gz BDQHSBBRPBBYGB-UYAOXDASSA-N 2 0 345.531 3.333 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)[NH+]1CCCCC1 ZINC001158079706 1381122342 /nfs/dbraw/zinc/12/23/42/1381122342.db2.gz MTJSFLPRTBVMRO-IBGZPJMESA-N 2 0 343.515 3.034 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C)C1CCC1 ZINC001158090249 1381124786 /nfs/dbraw/zinc/12/47/86/1381124786.db2.gz QISAJEIWFJBSIM-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100205 1381127470 /nfs/dbraw/zinc/12/74/70/1381127470.db2.gz XTSQUEVJHLKSLM-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cc(N2CCCC2)nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001158259218 1381175615 /nfs/dbraw/zinc/17/56/15/1381175615.db2.gz GGPHAEHXUPWBPQ-DNVCBOLYSA-N 2 0 331.508 3.341 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385459 1381227602 /nfs/dbraw/zinc/22/76/02/1381227602.db2.gz JDKIFYOHUDGETC-CADBVGFASA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2cc(C)ccc2C)CC[N@@H+]1C ZINC001158412935 1381237157 /nfs/dbraw/zinc/23/71/57/1381237157.db2.gz TYZQRRPTHIRCQJ-CMKODMSKSA-N 2 0 345.531 3.191 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C)[NH+](C)C ZINC001158486651 1381263996 /nfs/dbraw/zinc/26/39/96/1381263996.db2.gz FXSJAJHJLJAOCI-SJORKVTESA-N 2 0 325.541 3.076 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158472516 1381255174 /nfs/dbraw/zinc/25/51/74/1381255174.db2.gz ANMGIKJNYJUQRQ-RTBURBONSA-N 2 0 337.552 3.364 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158473361 1381256181 /nfs/dbraw/zinc/25/61/81/1381256181.db2.gz JWMHIAPDYBTYIT-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480751 1381260473 /nfs/dbraw/zinc/26/04/73/1381260473.db2.gz PSULJWKYMHKZKA-IAGOWNOFSA-N 2 0 343.531 3.025 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158481138 1381261817 /nfs/dbraw/zinc/26/18/17/1381261817.db2.gz ZVHVICCIXKYJEB-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158689227 1381355145 /nfs/dbraw/zinc/35/51/45/1381355145.db2.gz FAKZRZIASZJKAK-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccccc1C ZINC001158704562 1381360872 /nfs/dbraw/zinc/36/08/72/1381360872.db2.gz QBZQLYJGGRFTBV-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001158714646 1381363401 /nfs/dbraw/zinc/36/34/01/1381363401.db2.gz XVYWEGZDNGSQBY-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001158714517 1381363670 /nfs/dbraw/zinc/36/36/70/1381363670.db2.gz REZRURXYNDLFMX-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751563 1381382472 /nfs/dbraw/zinc/38/24/72/1381382472.db2.gz YKRHTRGNOMZMTL-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001158787238 1381398843 /nfs/dbraw/zinc/39/88/43/1381398843.db2.gz OBJINGCLWNAKRY-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP Cc1cccc(C[NH2+]CCCNC(=O)c2sccc2C[NH+](C)C)c1 ZINC001159155080 1381675462 /nfs/dbraw/zinc/67/54/62/1381675462.db2.gz IOQLLYZZJRHBBT-UHFFFAOYSA-N 2 0 345.512 3.028 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001159334184 1381767773 /nfs/dbraw/zinc/76/77/73/1381767773.db2.gz ACFATXSGVDEMEN-VLUHHTHFSA-N 2 0 343.515 3.060 20 0 EGADRP c1cc(N2CCCCC2)c(Nc2ccc(N3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001159364593 1381778073 /nfs/dbraw/zinc/77/80/73/1381778073.db2.gz UCVRLYJRMFQFEA-UHFFFAOYSA-N 2 0 337.471 3.225 20 0 EGADRP Fc1cc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)ccc1N1CC[NH2+]CC1 ZINC001159539941 1381822508 /nfs/dbraw/zinc/82/25/08/1381822508.db2.gz VTJISDSMMJBZBR-IBGZPJMESA-N 2 0 340.446 3.403 20 0 EGADRP [NH3+]CCN(c1cc(-n2ccnc2)cc[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC001159546351 1381823293 /nfs/dbraw/zinc/82/32/93/1381823293.db2.gz LZPHOUCOOZUIBM-UHFFFAOYSA-N 2 0 337.471 3.001 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001159910325 1381934077 /nfs/dbraw/zinc/93/40/77/1381934077.db2.gz QLUSSSDKDIVCDQ-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001159909807 1381934292 /nfs/dbraw/zinc/93/42/92/1381934292.db2.gz NOSQYLAWKAYJHK-PMACEKPBSA-N 2 0 345.531 3.497 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001159908207 1381934690 /nfs/dbraw/zinc/93/46/90/1381934690.db2.gz GYTFOKACMUAISI-IBGZPJMESA-N 2 0 349.494 3.015 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001160273802 1382058398 /nfs/dbraw/zinc/05/83/98/1382058398.db2.gz OGLNLVLNJGEUBI-OZVOWOKYSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359852 1382082024 /nfs/dbraw/zinc/08/20/24/1382082024.db2.gz CYWSAROXZKECCG-GOSISDBHSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1)[NH+](C)C ZINC001160427339 1382100762 /nfs/dbraw/zinc/10/07/62/1382100762.db2.gz PYBUENVFKOCVLX-FQEVSTJZSA-N 2 0 341.499 3.022 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2cccc3ccccc32)cc1 ZINC001160444149 1382105185 /nfs/dbraw/zinc/10/51/85/1382105185.db2.gz WXYPUPNBIOYKMH-FQEVSTJZSA-N 2 0 333.435 3.068 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)C[C@H]([NH3+])Cc2cccc3ccccc32)cc1 ZINC001160443809 1382105219 /nfs/dbraw/zinc/10/52/19/1382105219.db2.gz QSHJHGDZJWXMAQ-LJQANCHMSA-N 2 0 347.462 3.458 20 0 EGADRP Cc1ccc2c(c1)cc(Cl)nc2N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160514882 1382126959 /nfs/dbraw/zinc/12/69/59/1382126959.db2.gz ZLLUNUJXAJJBAI-SFHVURJKSA-N 2 0 330.863 3.032 20 0 EGADRP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160568474 1382145807 /nfs/dbraw/zinc/14/58/07/1382145807.db2.gz VUJZALWBHKPMLS-FQEVSTJZSA-N 2 0 347.547 3.211 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160786676 1382196059 /nfs/dbraw/zinc/19/60/59/1382196059.db2.gz CTWCHSZFZLIQGY-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804182 1382201557 /nfs/dbraw/zinc/20/15/57/1382201557.db2.gz CVVNPHKVPXQUGI-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]CCc1cn(-c2nc(Cl)nc3c(F)cccc32)c2cc[nH+]cc12 ZINC001160946014 1382247181 /nfs/dbraw/zinc/24/71/81/1382247181.db2.gz RIPYCFZLIXDDAG-UHFFFAOYSA-N 2 0 341.777 3.262 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161021296 1382275676 /nfs/dbraw/zinc/27/56/76/1382275676.db2.gz NHTPLZMBKGARID-VOTSOKGWSA-N 2 0 347.547 3.213 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001161037274 1382279802 /nfs/dbraw/zinc/27/98/02/1382279802.db2.gz XADNLTGDLCBRFI-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)C3CCC(C[NH3+])CC3)CC2)CC1 ZINC001161047681 1382282822 /nfs/dbraw/zinc/28/28/22/1382282822.db2.gz LDOHEJSNGJGANN-UHFFFAOYSA-N 2 0 349.563 3.112 20 0 EGADRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001161106971 1382299823 /nfs/dbraw/zinc/29/98/23/1382299823.db2.gz SLGJPXVWFRJQDN-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161205698 1382341027 /nfs/dbraw/zinc/34/10/27/1382341027.db2.gz FTGAYEHDMWBLGQ-YKMDAGRBSA-N 2 0 347.547 3.069 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161208056 1382341811 /nfs/dbraw/zinc/34/18/11/1382341811.db2.gz YXHCHXXBQYYNSM-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1cc(N2CCCC2)nc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]1 ZINC001161228996 1382348624 /nfs/dbraw/zinc/34/86/24/1382348624.db2.gz INWODSNAXKKTHC-UHFFFAOYSA-N 2 0 343.519 3.309 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001161226388 1382348970 /nfs/dbraw/zinc/34/89/70/1382348970.db2.gz GINBZFJZQWNWKX-UHFFFAOYSA-N 2 0 341.499 3.166 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001161231255 1382349599 /nfs/dbraw/zinc/34/95/99/1382349599.db2.gz UUHMVPXVHJKDJF-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1C ZINC001161643739 1382468449 /nfs/dbraw/zinc/46/84/49/1382468449.db2.gz ALIWSQIUMGKVRF-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)CCNc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001161671512 1382475539 /nfs/dbraw/zinc/47/55/39/1382475539.db2.gz UEHJUQHVBXSRFU-LJQANCHMSA-N 2 0 326.488 3.139 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001161753210 1382494900 /nfs/dbraw/zinc/49/49/00/1382494900.db2.gz IISNORXXTQNOQQ-LJQANCHMSA-N 2 0 329.488 3.485 20 0 EGADRP [NH3+]C1CCN(c2cccc(N[C@H](c3cncc(F)c3)C3CC3)[nH+]2)CC1 ZINC001161814363 1382516476 /nfs/dbraw/zinc/51/64/76/1382516476.db2.gz DCTNUNVECWLPMO-IBGZPJMESA-N 2 0 341.434 3.106 20 0 EGADRP [NH3+]C1CC[NH+](CCNc2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC001161867990 1382534687 /nfs/dbraw/zinc/53/46/87/1382534687.db2.gz ZOICRXXZDAWRFF-UHFFFAOYSA-N 2 0 347.466 3.132 20 0 EGADRP O=C(NCCC[NH2+][C@H]1CCCc2ccccc21)c1ccn2c[nH+]cc2c1 ZINC001161872378 1382536162 /nfs/dbraw/zinc/53/61/62/1382536162.db2.gz DNLQFBXETJRWOS-FQEVSTJZSA-N 2 0 348.450 3.121 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925020 1382555770 /nfs/dbraw/zinc/55/57/70/1382555770.db2.gz UFUNUMRUJYGELU-ROUUACIJSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938426 1382561894 /nfs/dbraw/zinc/56/18/94/1382561894.db2.gz MEEHMSGFOPIDSW-SFHVURJKSA-N 2 0 335.536 3.047 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161993451 1382592718 /nfs/dbraw/zinc/59/27/18/1382592718.db2.gz BFFNJPYAUZQNPZ-UHFFFAOYSA-N 2 0 335.536 3.191 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001162456886 1382762058 /nfs/dbraw/zinc/76/20/58/1382762058.db2.gz LGQHPDDVOMUCRH-FUHWJXTLSA-N 2 0 327.516 3.302 20 0 EGADRP C[C@@H]1C[C@@H](CNc2nccc3c2CC[N@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001162552716 1382787012 /nfs/dbraw/zinc/78/70/12/1382787012.db2.gz PEYJXNFDVHPDIU-SJLPKXTDSA-N 2 0 336.483 3.050 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC[C@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580606 1382798088 /nfs/dbraw/zinc/79/80/88/1382798088.db2.gz VUJPXEDASWAQEK-LPHOPBHVSA-N 2 0 334.483 3.350 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)cc1 ZINC001162586462 1382799513 /nfs/dbraw/zinc/79/95/13/1382799513.db2.gz HAPKLKSVMGWRIO-VAMGGRTRSA-N 2 0 349.494 3.367 20 0 EGADRP F[C@H]1C[NH2+]CC[C@H]1CNc1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001162808631 1382880014 /nfs/dbraw/zinc/88/00/14/1382880014.db2.gz OFIVCQCQVHPMQH-RDJZCZTQSA-N 2 0 328.435 3.195 20 0 EGADRP CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001162929231 1382919184 /nfs/dbraw/zinc/91/91/84/1382919184.db2.gz UBNATXZZVCTYJJ-HXUWFJFHSA-N 2 0 347.547 3.178 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C(C)(C)C)nc(Cl)c1C ZINC001163129404 1382972176 /nfs/dbraw/zinc/97/21/76/1382972176.db2.gz WMKCELGTTVSCEH-UHFFFAOYSA-N 2 0 340.903 3.014 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001163290447 1383013309 /nfs/dbraw/zinc/01/33/09/1383013309.db2.gz HKZMMKIGWWVJEE-LJQANCHMSA-N 2 0 345.531 3.498 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001163291042 1383014022 /nfs/dbraw/zinc/01/40/22/1383014022.db2.gz YMEIFAHEJNBBII-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H](F)C(F)(F)C3)c2)CC1 ZINC001164064415 1383152138 /nfs/dbraw/zinc/15/21/38/1383152138.db2.gz XKSXNGKRYXGAAS-HNNXBMFYSA-N 2 0 343.393 3.128 20 0 EGADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC001164499130 1383193885 /nfs/dbraw/zinc/19/38/85/1383193885.db2.gz LQOUEBARONKRNU-ICSUOEFDSA-N 2 0 336.483 3.424 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164515156 1383195284 /nfs/dbraw/zinc/19/52/84/1383195284.db2.gz WNXQRVMDCLDRPK-OOFWQKGWSA-N 2 0 335.536 3.092 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@@H]32)cc1 ZINC001165082901 1383224457 /nfs/dbraw/zinc/22/44/57/1383224457.db2.gz FFKFLYCWYNFIET-FPOVZHCZSA-N 2 0 348.494 3.393 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2cccc(F)c2O[C@H]2CC[NH2+]C2)cc1 ZINC001165213640 1383249437 /nfs/dbraw/zinc/24/94/37/1383249437.db2.gz IXXJMUOTMDXVCD-INIZCTEOSA-N 2 0 329.419 3.372 20 0 EGADRP Cc1ccc2ccccc2c1C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165366936 1383281905 /nfs/dbraw/zinc/28/19/05/1383281905.db2.gz IARZZKUOKCZIBM-UHFFFAOYSA-N 2 0 341.499 3.086 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1)C1CC1 ZINC001165484391 1383300711 /nfs/dbraw/zinc/30/07/11/1383300711.db2.gz DJEFCRPMTMKPAA-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001165627734 1383317302 /nfs/dbraw/zinc/31/73/02/1383317302.db2.gz OVNDGOGYWYMUPZ-HKUYNNGSSA-N 2 0 345.531 3.210 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001165718728 1383331656 /nfs/dbraw/zinc/33/16/56/1383331656.db2.gz PJJZTEQMXOZUBX-CRAIPNDOSA-N 2 0 349.494 3.103 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165729074 1383334490 /nfs/dbraw/zinc/33/44/90/1383334490.db2.gz YKKADFQLIYIYIJ-FPXQDXNASA-N 2 0 347.547 3.236 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165735550 1383334905 /nfs/dbraw/zinc/33/49/05/1383334905.db2.gz CPAQADDGAVMQKS-QZTJIDSGSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165737251 1383335953 /nfs/dbraw/zinc/33/59/53/1383335953.db2.gz QTHVSQSTCHLADW-RBUKOAKNSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926849 1383366075 /nfs/dbraw/zinc/36/60/75/1383366075.db2.gz GUALLDPZSYOTMF-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165926862 1383366266 /nfs/dbraw/zinc/36/62/66/1383366266.db2.gz HFCSJIWCJJMAHI-ACBHZAAOSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165993336 1383374592 /nfs/dbraw/zinc/37/45/92/1383374592.db2.gz VOEOCYKFMYCOQR-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CCCCc1ccccc1)[NH+](CC)CC ZINC001166439146 1383422687 /nfs/dbraw/zinc/42/26/87/1383422687.db2.gz BUXLZLLPQVYXQW-FQEVSTJZSA-N 2 0 347.547 3.226 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166546447 1383437054 /nfs/dbraw/zinc/43/70/54/1383437054.db2.gz ZTWZVTADFUISJW-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736307 1383468300 /nfs/dbraw/zinc/46/83/00/1383468300.db2.gz IVXUQOKKFKLCAM-UHFFFAOYSA-N 2 0 333.520 3.081 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001166843555 1383486384 /nfs/dbraw/zinc/48/63/84/1383486384.db2.gz GVXYTUFZPXLUFY-LPHOPBHVSA-N 2 0 347.547 3.481 20 0 EGADRP Cc1ccc(C[NH2+]CC2(CCNC(=O)CCC[NH+](C)C)CC2)cc1C ZINC001166883950 1383494158 /nfs/dbraw/zinc/49/41/58/1383494158.db2.gz ZTQWEJCEIMQSTG-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)C1 ZINC001167240776 1383573349 /nfs/dbraw/zinc/57/33/49/1383573349.db2.gz SHZGIFFOYKZLPN-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[NH+](C)CC[C@H](c1ccc(N[C@H]2CC[N@H+](C)C2)cc1)c1ccccn1 ZINC001167278176 1383583221 /nfs/dbraw/zinc/58/32/21/1383583221.db2.gz AWDFHJDJLWOGDC-VQTJNVASSA-N 2 0 338.499 3.281 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385789 1383619264 /nfs/dbraw/zinc/61/92/64/1383619264.db2.gz TZIFGILQBXPEGG-SFHVURJKSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)CC1 ZINC001167392175 1383620895 /nfs/dbraw/zinc/62/08/95/1383620895.db2.gz ZCJARMOFNOLQHG-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]CC1CCCCCC1)[NH+]1CCCCCC1 ZINC001167608877 1383688174 /nfs/dbraw/zinc/68/81/74/1383688174.db2.gz KDKSVKPGQIUHDC-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP C/C=C(\NC=[NH2+])N(c1cc(OC)cc2cccnc21)[C@@H](C)CCC[NH3+] ZINC001167615308 1383689838 /nfs/dbraw/zinc/68/98/38/1383689838.db2.gz YPUAAUJRBDXFHI-DEYDEHISSA-N 2 0 341.459 3.235 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167626726 1383692807 /nfs/dbraw/zinc/69/28/07/1383692807.db2.gz GHFFNNXSMBIWOA-HXUWFJFHSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c(C)c1 ZINC001167635237 1383694271 /nfs/dbraw/zinc/69/42/71/1383694271.db2.gz MCFULBLKHFLSAZ-HXUWFJFHSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC001167683810 1383709243 /nfs/dbraw/zinc/70/92/43/1383709243.db2.gz BXPWDBNHGMQAGF-YJBOKZPZSA-N 2 0 335.467 3.125 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001167685228 1383709893 /nfs/dbraw/zinc/70/98/93/1383709893.db2.gz IWFMGEJECDTSGM-RRQGHBQHSA-N 2 0 344.421 3.401 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167784064 1383739742 /nfs/dbraw/zinc/73/97/42/1383739742.db2.gz LALRIJUAJGXOKZ-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@@]2(COC)C1 ZINC001167821052 1383748844 /nfs/dbraw/zinc/74/88/44/1383748844.db2.gz AEZYGCYXCQQQID-FHWLQOOXSA-N 2 0 326.525 3.014 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC001167824082 1383749378 /nfs/dbraw/zinc/74/93/78/1383749378.db2.gz BXIYKHLFPOSZPI-IBGZPJMESA-N 2 0 347.547 3.323 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCN(c2ncccc2C)CC1 ZINC001167826983 1383750469 /nfs/dbraw/zinc/75/04/69/1383750469.db2.gz SOJRZVUWEBAYHZ-IBGZPJMESA-N 2 0 332.536 3.413 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2nccnc2C)C1 ZINC001167833918 1383753163 /nfs/dbraw/zinc/75/31/63/1383753163.db2.gz FWAPGLVZNQOYAO-WMZOPIPTSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC001167836613 1383754727 /nfs/dbraw/zinc/75/47/27/1383754727.db2.gz FUGYYVPAYWHABO-MRXNPFEDSA-N 2 0 338.927 3.368 20 0 EGADRP CC[C@@H](C)[C@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001167880533 1383764324 /nfs/dbraw/zinc/76/43/24/1383764324.db2.gz BWARKVLCUXVGIV-MSOLQXFVSA-N 2 0 333.520 3.184 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940909 1383773909 /nfs/dbraw/zinc/77/39/09/1383773909.db2.gz YZTBJZKILSREJW-MHORFTMASA-N 2 0 330.472 3.133 20 0 EGADRP Oc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167970965 1383782670 /nfs/dbraw/zinc/78/26/70/1383782670.db2.gz QZJSSJKXEJRXFH-XUBOLADHSA-N 2 0 326.484 3.245 20 0 EGADRP CC(C)(C)OC(=O)NCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167978220 1383784783 /nfs/dbraw/zinc/78/47/83/1383784783.db2.gz MUMZLOBWKYSIKN-ALOPSCKCSA-N 2 0 349.519 3.039 20 0 EGADRP c1ccc(C[C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167996116 1383791960 /nfs/dbraw/zinc/79/19/60/1383791960.db2.gz WVHVKMSYUZBQAM-CBQMWWCCSA-N 2 0 325.500 3.494 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC(F)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025304 1383799363 /nfs/dbraw/zinc/79/93/63/1383799363.db2.gz JHLGILHKWPSCBN-RMFSNUHRSA-N 2 0 347.522 3.452 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC(C)(C)O2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023903 1383799463 /nfs/dbraw/zinc/79/94/63/1383799463.db2.gz ZAPYNOTZFJIHKZ-UKBAYJJMSA-N 2 0 332.488 3.169 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039688 1383802257 /nfs/dbraw/zinc/80/22/57/1383802257.db2.gz HFAUTGWWZRIZNV-CEQLMSFQSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H]1CC(N2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055844 1383805110 /nfs/dbraw/zinc/80/51/10/1383805110.db2.gz YCJXRRJFDCELOT-GGPKGHCWSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@H]1CC(N2CCC3(C[NH+](C)C3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054718 1383805348 /nfs/dbraw/zinc/80/53/48/1383805348.db2.gz AOMJIMXSIKBWFP-OALUTQOASA-N 2 0 341.543 3.456 20 0 EGADRP CCOC(=O)CC[N@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064719 1383808194 /nfs/dbraw/zinc/80/81/94/1383808194.db2.gz RLQOZKVXLPGESE-IZZQQSIFSA-N 2 0 332.488 3.313 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168146648 1383827195 /nfs/dbraw/zinc/82/71/95/1383827195.db2.gz IKIMRMOHTSRWCK-SFHVURJKSA-N 2 0 343.515 3.028 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168179350 1383835791 /nfs/dbraw/zinc/83/57/91/1383835791.db2.gz JJSHZFYDUNBAJA-OAHLLOKOSA-N 2 0 340.895 3.088 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168290233 1383864288 /nfs/dbraw/zinc/86/42/88/1383864288.db2.gz GEXIODCKHQFGSO-UHFFFAOYSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001168322407 1383872480 /nfs/dbraw/zinc/87/24/80/1383872480.db2.gz AXVNXVBMCYCZKO-UHFFFAOYSA-N 3 0 345.531 3.440 20 0 EGADRP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168328300 1383874463 /nfs/dbraw/zinc/87/44/63/1383874463.db2.gz DPUOZUMPWZJDLL-IVMQYODDSA-N 2 0 332.488 3.313 20 0 EGADRP CC[C@H]([NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001168344940 1383879055 /nfs/dbraw/zinc/87/90/55/1383879055.db2.gz GODLHLQNUWYQCI-IBGZPJMESA-N 2 0 345.531 3.354 20 0 EGADRP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)nc1 ZINC001168365957 1383884582 /nfs/dbraw/zinc/88/45/82/1383884582.db2.gz GTOMGBHOYCGSNS-UHFFFAOYSA-N 2 0 327.394 3.107 20 0 EGADRP COc1cc2c(cc1OC)C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168369059 1383885299 /nfs/dbraw/zinc/88/52/99/1383885299.db2.gz VCDIVQPGNLRSLP-LJQANCHMSA-N 2 0 344.499 3.025 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168448760 1383908628 /nfs/dbraw/zinc/90/86/28/1383908628.db2.gz PUYVIQGKKVKSMK-LJQANCHMSA-N 2 0 325.431 3.209 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2ccc(F)cc2s1 ZINC001306986128 1383929830 /nfs/dbraw/zinc/92/98/30/1383929830.db2.gz KVCPHIPDJPBHNF-UHFFFAOYSA-N 2 0 338.496 3.145 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168591414 1383943628 /nfs/dbraw/zinc/94/36/28/1383943628.db2.gz VKXJMOYJXQBETP-AZUAARDMSA-N 2 0 332.488 3.237 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001168607127 1383947117 /nfs/dbraw/zinc/94/71/17/1383947117.db2.gz PMWVPYWRCOJVFX-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP C[NH+](C)CC(C)(C)CNc1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001168768829 1383996978 /nfs/dbraw/zinc/99/69/78/1383996978.db2.gz JKEUMSIPRMSCRH-RTBURBONSA-N 2 0 333.520 3.473 20 0 EGADRP Cc1ncn(-c2ccc(F)c(C[NH+]3CCCC3)c2)c1CSCC[NH3+] ZINC001168798222 1384009911 /nfs/dbraw/zinc/00/99/11/1384009911.db2.gz XZNGTHLHNAHUQL-UHFFFAOYSA-N 2 0 348.491 3.108 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CN1C(=O)OC(C)(C)C ZINC001168806204 1384013504 /nfs/dbraw/zinc/01/35/04/1384013504.db2.gz JUYRNKOTCMPWRV-CRAIPNDOSA-N 2 0 347.503 3.236 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168807247 1384014903 /nfs/dbraw/zinc/01/49/03/1384014903.db2.gz NRJAOZZFUFEADN-CVEARBPZSA-N 2 0 327.513 3.096 20 0 EGADRP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001169079308 1384103966 /nfs/dbraw/zinc/10/39/66/1384103966.db2.gz RAUAWTFZLJCUJX-FDFHNCONSA-N 2 0 343.559 3.354 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001169081291 1384103992 /nfs/dbraw/zinc/10/39/92/1384103992.db2.gz PZGMOSSMTBLYHM-UUAJXVIYSA-N 2 0 337.508 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]13CCC[C@@H]1N(C(=O)OC(C)(C)C)CC3)C2 ZINC001169096898 1384106344 /nfs/dbraw/zinc/10/63/44/1384106344.db2.gz ZLWUNMOJUQCHJM-SAGLZJIZSA-N 2 0 349.519 3.133 20 0 EGADRP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169141119 1384112960 /nfs/dbraw/zinc/11/29/60/1384112960.db2.gz AALCCYVFCZDZEI-OXQOHEQNSA-N 2 0 346.519 3.182 20 0 EGADRP COc1cc(C)ccc1OC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169146011 1384114450 /nfs/dbraw/zinc/11/44/50/1384114450.db2.gz OCHNHCIXOMLHPT-BCDXTJNWSA-N 2 0 344.499 3.472 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(C[NH+](Cc4ccccc4)C3)CC1)C2 ZINC001169155772 1384116784 /nfs/dbraw/zinc/11/67/84/1384116784.db2.gz UNXHHLSZVBCEMW-AERCQKQUSA-N 2 0 339.527 3.210 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC001308365125 1384122094 /nfs/dbraw/zinc/12/20/94/1384122094.db2.gz CAWBSVUCRNRBNO-UYAOXDASSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001308368290 1384122489 /nfs/dbraw/zinc/12/24/89/1384122489.db2.gz RDRRGXLDFIGSFT-DOTOQJQBSA-N 2 0 326.488 3.316 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2ccc(OC(=O)C(C)(C)C)cc2)CC1 ZINC001169220856 1384123948 /nfs/dbraw/zinc/12/39/48/1384123948.db2.gz VWHNOIGXSWNUHM-UHFFFAOYSA-N 2 0 332.488 3.255 20 0 EGADRP CCN1CCC([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001169258235 1384128452 /nfs/dbraw/zinc/12/84/52/1384128452.db2.gz HILZYSIXKFDXOL-UHFFFAOYSA-N 2 0 341.543 3.459 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@H]2C1 ZINC001169306798 1384134410 /nfs/dbraw/zinc/13/44/10/1384134410.db2.gz FVRBEVUFDLYPLW-UVHRUJRTSA-N 2 0 342.483 3.038 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC001308633775 1384137769 /nfs/dbraw/zinc/13/77/69/1384137769.db2.gz CATZDPFFATYZGV-ICSRJNTNSA-N 2 0 329.532 3.361 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169460793 1384150501 /nfs/dbraw/zinc/15/05/01/1384150501.db2.gz ZPEDYYCVUPQVNA-BHIYHBOVSA-N 2 0 337.552 3.396 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001169974403 1384208230 /nfs/dbraw/zinc/20/82/30/1384208230.db2.gz DURZAMCAVCSDHY-HZPDHXFCSA-N 2 0 325.541 3.355 20 0 EGADRP C[NH+](C)Cc1ccc(CC[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC001169978568 1384209215 /nfs/dbraw/zinc/20/92/15/1384209215.db2.gz XAXYDUUMWYYADH-UHFFFAOYSA-N 2 0 333.520 3.291 20 0 EGADRP CC[C@@H]1C[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)CCO1 ZINC001170214520 1384267360 /nfs/dbraw/zinc/26/73/60/1384267360.db2.gz PYHLLZSEDCMDQV-UWHLTILDSA-N 2 0 328.500 3.316 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001170420849 1384314024 /nfs/dbraw/zinc/31/40/24/1384314024.db2.gz NQAZNNDNIOYNPY-MRXNPFEDSA-N 2 0 337.423 3.460 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001170783848 1384384691 /nfs/dbraw/zinc/38/46/91/1384384691.db2.gz ABPODRSITWYIFP-OALUTQOASA-N 2 0 339.568 3.419 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170785732 1384385160 /nfs/dbraw/zinc/38/51/60/1384385160.db2.gz WAEIEUPHINXRIM-QULHZPMSSA-N 2 0 337.552 3.483 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCCC[NH2+]CCC1CCCC1)c1ccccc1 ZINC001170830106 1384394009 /nfs/dbraw/zinc/39/40/09/1384394009.db2.gz ULDVVMPMLDSVPX-OAQYLSRUSA-N 2 0 345.531 3.140 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863610 1384401031 /nfs/dbraw/zinc/40/10/31/1384401031.db2.gz WHQNXNPKFBWOMO-WUYYXPQKSA-N 2 0 337.552 3.338 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1c(Cl)cc(OC(F)(F)F)cc1Cl ZINC001170903762 1384408454 /nfs/dbraw/zinc/40/84/54/1384408454.db2.gz KYIYACYCIOZBID-SECBINFHSA-N 2 0 332.153 3.328 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1cc(C)ccc1C ZINC001316603422 1384471371 /nfs/dbraw/zinc/47/13/71/1384471371.db2.gz COCIZKZRCDZDLA-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235200 1384476188 /nfs/dbraw/zinc/47/61/88/1384476188.db2.gz FYIPZMTVLZRIAX-ZEVQVBBLSA-N 2 0 337.552 3.482 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171236506 1384476455 /nfs/dbraw/zinc/47/64/55/1384476455.db2.gz MYMBUPHKANZULQ-INIZCTEOSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001171238604 1384477206 /nfs/dbraw/zinc/47/72/06/1384477206.db2.gz WJNRUSZMAWYVGY-PKOBYXMFSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248703 1384478191 /nfs/dbraw/zinc/47/81/91/1384478191.db2.gz YEXGKRBXTCUOND-TYLRKXQCSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261192 1384481329 /nfs/dbraw/zinc/48/13/29/1384481329.db2.gz RLITYMWDEJBBCS-MSOLQXFVSA-N 2 0 345.531 3.497 20 0 EGADRP c1ccc(-c2c[nH+]ccc2NCc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001171283604 1384485183 /nfs/dbraw/zinc/48/51/83/1384485183.db2.gz JESBOFMCAJYJIQ-UHFFFAOYSA-N 2 0 344.462 3.192 20 0 EGADRP COc1cc2[nH+]ccc(-n3cc4ccc(C[NH3+])cc4n3)c2cc1OC ZINC001171324145 1384495261 /nfs/dbraw/zinc/49/52/61/1384495261.db2.gz AUAPVLHXFLASOR-UHFFFAOYSA-N 2 0 334.379 3.050 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171331260 1384496228 /nfs/dbraw/zinc/49/62/28/1384496228.db2.gz XUSCIVRYVVBJPQ-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@H]2C1 ZINC001171332822 1384496710 /nfs/dbraw/zinc/49/67/10/1384496710.db2.gz IVEXEEGXHZHCJR-KFWWJZLASA-N 2 0 334.891 3.089 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])nc1 ZINC001171399233 1384512924 /nfs/dbraw/zinc/51/29/24/1384512924.db2.gz GTRVMHCWTQPIIL-DLBZAZTESA-N 2 0 338.455 3.096 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171411958 1384516409 /nfs/dbraw/zinc/51/64/09/1384516409.db2.gz PWRHWIIHCHNDHC-MRXNPFEDSA-N 2 0 335.511 3.158 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171507615 1384545235 /nfs/dbraw/zinc/54/52/35/1384545235.db2.gz LNLIRVZSCALVDW-AWEZNQCLSA-N 2 0 326.406 3.424 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCc1ccc(C)cc1)[NH+](C)C ZINC001171509548 1384546253 /nfs/dbraw/zinc/54/62/53/1384546253.db2.gz RJAQVLSMDMSJLD-UYAOXDASSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)CCCC[NH+](C)C)C1 ZINC001171578766 1384570298 /nfs/dbraw/zinc/57/02/98/1384570298.db2.gz IANGCNNLLGBEPG-ZWKOTPCHSA-N 2 0 325.541 3.031 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]CCCNC(=O)CCCC[NH+](C)C)cc1 ZINC001171578538 1384570543 /nfs/dbraw/zinc/57/05/43/1384570543.db2.gz DGFIVFBDJFDXKQ-UHFFFAOYSA-N 2 0 347.547 3.213 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171580230 1384570884 /nfs/dbraw/zinc/57/08/84/1384570884.db2.gz UBNNJRQYSIMBNK-CVEARBPZSA-N 2 0 341.540 3.342 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171580232 1384571035 /nfs/dbraw/zinc/57/10/35/1384571035.db2.gz UBNNJRQYSIMBNK-HZPDHXFCSA-N 2 0 341.540 3.342 20 0 EGADRP COc1ccc2c(c1)C[C@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CO2 ZINC001171627373 1384585049 /nfs/dbraw/zinc/58/50/49/1384585049.db2.gz RFBWOMCIQQFLCB-OAHLLOKOSA-N 2 0 346.515 3.487 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171629940 1384585574 /nfs/dbraw/zinc/58/55/74/1384585574.db2.gz SPOGNKHQFXTNRS-GOEBONIOSA-N 2 0 348.466 3.269 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC001171634840 1384586976 /nfs/dbraw/zinc/58/69/76/1384586976.db2.gz IIKPIBHTJLFEOZ-UHFFFAOYSA-N 2 0 329.532 3.456 20 0 EGADRP CCOC(=O)C1(F)CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171638450 1384588373 /nfs/dbraw/zinc/58/83/73/1384588373.db2.gz YGDWYEWDIXPQOT-UHFFFAOYSA-N 2 0 328.472 3.005 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCCN(c3cccnc3)CC2)CC1(C)C ZINC001171640884 1384589461 /nfs/dbraw/zinc/58/94/61/1384589461.db2.gz JYPBFAZMSRYZJA-UHFFFAOYSA-N 2 0 330.520 3.245 20 0 EGADRP COC(=O)[C@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)Cc2ccccc21 ZINC001171642736 1384590622 /nfs/dbraw/zinc/59/06/22/1384590622.db2.gz LYDWNJLAACWVPR-SFHVURJKSA-N 2 0 344.499 3.410 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646291 1384591379 /nfs/dbraw/zinc/59/13/79/1384591379.db2.gz LDFWKAPWVXMVMB-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646765 1384592152 /nfs/dbraw/zinc/59/21/52/1384592152.db2.gz PHIFWAZHCXLQKE-RTBURBONSA-N 2 0 339.568 3.418 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@H](C)CCc1ccc(C)cc1 ZINC001171675014 1384598725 /nfs/dbraw/zinc/59/87/25/1384598725.db2.gz PEGPDNYOTMYBRM-GOSISDBHSA-N 2 0 334.504 3.133 20 0 EGADRP C[C@H]1C[C@@H](n2nc(CC[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171733500 1384618907 /nfs/dbraw/zinc/61/89/07/1384618907.db2.gz UFGMENNNUUDPOI-FUHWJXTLSA-N 2 0 334.467 3.373 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC([NH+](C)C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171758691 1384626783 /nfs/dbraw/zinc/62/67/83/1384626783.db2.gz AFOXMZDGGXQOIN-DYESRHJHSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@H]1C[C@@H](N2CCC3(CC2)CC[NH+](C)CC3)C[N@@H+]1Cc1ccccc1 ZINC001171760654 1384627599 /nfs/dbraw/zinc/62/75/99/1384627599.db2.gz YYCZKPOEDWODST-PZJWPPBQSA-N 2 0 341.543 3.457 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001329024513 1388933933 /nfs/dbraw/zinc/93/39/33/1388933933.db2.gz PHKGDCJJONCMAR-IERDGZPVSA-N 2 0 341.474 3.343 20 0 EGADRP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786256 1384636333 /nfs/dbraw/zinc/63/63/33/1384636333.db2.gz ZLYFWPLASJSGCM-KRWDZBQOSA-N 2 0 328.406 3.382 20 0 EGADRP COc1cccc(C2([NH3+])CC[NH+]([C@@H]3Cc4cccc(F)c4C3)CC2)c1 ZINC001171788637 1384637871 /nfs/dbraw/zinc/63/78/71/1384637871.db2.gz TZNZCEJJPDMQTH-QGZVFWFLSA-N 2 0 340.442 3.252 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171806426 1384644002 /nfs/dbraw/zinc/64/40/02/1384644002.db2.gz FHWOZSJYPVWNAA-IBGZPJMESA-N 2 0 347.522 3.033 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812236 1384646173 /nfs/dbraw/zinc/64/61/73/1384646173.db2.gz NENSORUADTUFNS-INIZCTEOSA-N 2 0 330.476 3.259 20 0 EGADRP C[NH+](C)CCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171846106 1384659741 /nfs/dbraw/zinc/65/97/41/1384659741.db2.gz RDKPGWQVMHDFQK-MRXNPFEDSA-N 2 0 339.524 3.192 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001316880969 1384666337 /nfs/dbraw/zinc/66/63/37/1384666337.db2.gz OVSRERGAALQZHQ-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171923991 1384683959 /nfs/dbraw/zinc/68/39/59/1384683959.db2.gz LGLGVTYNPYUSJD-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CC1 ZINC001171944531 1384691847 /nfs/dbraw/zinc/69/18/47/1384691847.db2.gz QHDFOTSIBVLPOX-MDCZIUGASA-N 2 0 326.525 3.489 20 0 EGADRP CCOC(=O)C1(C)CCC([NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC001171956779 1384695455 /nfs/dbraw/zinc/69/54/55/1384695455.db2.gz OQVJEJHDPQGGID-UHFFFAOYSA-N 2 0 336.520 3.306 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCCN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171963158 1384697507 /nfs/dbraw/zinc/69/75/07/1384697507.db2.gz GYECYQXJGYEVCO-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963906 1384697563 /nfs/dbraw/zinc/69/75/63/1384697563.db2.gz FUGJIOXCOIJFJF-KRWDZBQOSA-N 2 0 332.488 3.218 20 0 EGADRP COC(=O)C1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171981119 1384701892 /nfs/dbraw/zinc/70/18/92/1384701892.db2.gz KNJCRVDEVCLURC-LJQANCHMSA-N 2 0 344.499 3.315 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001316935920 1384707124 /nfs/dbraw/zinc/70/71/24/1384707124.db2.gz SQZDPRSFQKVBOB-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP O[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC001172063737 1384714978 /nfs/dbraw/zinc/71/49/78/1384714978.db2.gz CDYRTHSMQPLVIH-HAGHYFMRSA-N 2 0 340.467 3.488 20 0 EGADRP CC(C)[C@](C)([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172066284 1384716467 /nfs/dbraw/zinc/71/64/67/1384716467.db2.gz UUSJJUWYYGJIJG-JTJHWIPRSA-N 2 0 343.515 3.062 20 0 EGADRP O[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172072354 1384717740 /nfs/dbraw/zinc/71/77/40/1384717740.db2.gz LGTDCWHWTRHQBX-ALGQRKQJSA-N 2 0 328.500 3.465 20 0 EGADRP c1nn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1C[NH2+]CC2 ZINC001172068750 1384718516 /nfs/dbraw/zinc/71/85/16/1384718516.db2.gz KELIITWTTSSIBO-PMOLBWCYSA-N 2 0 336.483 3.287 20 0 EGADRP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084326 1384722499 /nfs/dbraw/zinc/72/24/99/1384722499.db2.gz WOWLBPUSYBSPEE-JRSUCEMESA-N 2 0 326.484 3.293 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102220 1384726829 /nfs/dbraw/zinc/72/68/29/1384726829.db2.gz LAGLPUKAQUHZJA-MXEMCNAFSA-N 2 0 327.516 3.113 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C2 ZINC001172105939 1384728531 /nfs/dbraw/zinc/72/85/31/1384728531.db2.gz LKUZHKOXLSFWQG-MUJYYYPQSA-N 2 0 339.524 3.142 20 0 EGADRP CCOC(=O)CCc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172113475 1384731038 /nfs/dbraw/zinc/73/10/38/1384731038.db2.gz HNKVIQPYSGSRDM-OWZKRDHZSA-N 2 0 344.499 3.287 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172113045 1384731078 /nfs/dbraw/zinc/73/10/78/1384731078.db2.gz FNULHGLTJDNBNN-MZADTFQBSA-N 3 0 333.564 3.494 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(Cc4cccs4)C[C@@H]3C1)C2 ZINC001172116028 1384732631 /nfs/dbraw/zinc/73/26/31/1384732631.db2.gz CUDYMZUHIVJSKW-QQXKLLMISA-N 2 0 345.556 3.127 20 0 EGADRP Cc1ccnc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172132411 1384737040 /nfs/dbraw/zinc/73/70/40/1384737040.db2.gz KTHVPVKMHZIDIJ-RDGPPVDQSA-N 2 0 329.488 3.249 20 0 EGADRP Cc1cccnc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172133588 1384739099 /nfs/dbraw/zinc/73/90/99/1384739099.db2.gz TXFWZXRJOBSRRI-MANSERQUSA-N 2 0 329.488 3.249 20 0 EGADRP COCCC[NH+]1CCC(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)CC1 ZINC001172246555 1384754984 /nfs/dbraw/zinc/75/49/84/1384754984.db2.gz NKEAYABGIRDQBR-LJQANCHMSA-N 2 0 331.504 3.096 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCCCCCCCCCO)CC1 ZINC001172246576 1384755170 /nfs/dbraw/zinc/75/51/70/1384755170.db2.gz OCMGOFKYWAAWGC-UHFFFAOYSA-N 2 0 328.541 3.190 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC(C)(C)Cc2ccc(F)cc2)CC1 ZINC001172248439 1384756230 /nfs/dbraw/zinc/75/62/30/1384756230.db2.gz HSMMUZVLEZRHCY-UHFFFAOYSA-N 2 0 336.495 3.485 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1CN1CC[NH+](C)CC1 ZINC001172315184 1384768054 /nfs/dbraw/zinc/76/80/54/1384768054.db2.gz FZQXFBHSYQGVBL-OALUTQOASA-N 2 0 347.547 3.117 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001172319175 1384769108 /nfs/dbraw/zinc/76/91/08/1384769108.db2.gz OYPKQFAQELPTHV-RBUKOAKNSA-N 2 0 347.547 3.117 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC001172358217 1384777403 /nfs/dbraw/zinc/77/74/03/1384777403.db2.gz GLNBNBQQKCEPDA-LQWHRVPQSA-N 2 0 329.532 3.348 20 0 EGADRP COc1cccc(CC2([NH3+])CC[NH+]([C@H](C)CCOC(C)C)CC2)c1 ZINC001172438037 1384791682 /nfs/dbraw/zinc/79/16/82/1384791682.db2.gz ZZBPGAHHPJLENY-QGZVFWFLSA-N 2 0 334.504 3.235 20 0 EGADRP CC1(C)CC([NH+]2CCC([NH3+])(Cc3ccccn3)CC2)CC(C)(C)O1 ZINC001172653650 1384826530 /nfs/dbraw/zinc/82/65/30/1384826530.db2.gz LYWNLPFGDXEDJF-UHFFFAOYSA-N 2 0 331.504 3.154 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001172769108 1384847269 /nfs/dbraw/zinc/84/72/69/1384847269.db2.gz AHGTWEKBQIXNBO-OALUTQOASA-N 2 0 332.488 3.002 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)CC2 ZINC001172828708 1384860157 /nfs/dbraw/zinc/86/01/57/1384860157.db2.gz OKFQKCDWFSEICV-ACRUOGEOSA-N 2 0 328.500 3.085 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccnn2CC(F)(F)F)CC1 ZINC001173105654 1384915651 /nfs/dbraw/zinc/91/56/51/1384915651.db2.gz AKNAVMNKVHBFDK-UHFFFAOYSA-N 2 0 332.414 3.188 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC001173107095 1384916511 /nfs/dbraw/zinc/91/65/11/1384916511.db2.gz JUVFWLKUFPIQTN-UHFFFAOYSA-N 2 0 344.547 3.289 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001173111115 1384917204 /nfs/dbraw/zinc/91/72/04/1384917204.db2.gz SALXEGCVWWBORW-FVELJTHGSA-N 2 0 349.563 3.218 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(Oc3ncc(C)cn3)CC2)CC1 ZINC001173114022 1384917602 /nfs/dbraw/zinc/91/76/02/1384917602.db2.gz SJCVAHWURXVTOF-UHFFFAOYSA-N 2 0 346.519 3.281 20 0 EGADRP c1nc2c(s1)C[C@@H]([NH+]1CCC3(CCC[N@H+]3CC3CC3)CC1)CC2 ZINC001173134888 1384921430 /nfs/dbraw/zinc/92/14/30/1384921430.db2.gz UZLMFESMKZMPKZ-INIZCTEOSA-N 2 0 331.529 3.341 20 0 EGADRP COCCC1([NH3+])CC[NH+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173196763 1384934042 /nfs/dbraw/zinc/93/40/42/1384934042.db2.gz AQWKLIJNLUHAJQ-UHFFFAOYSA-N 2 0 332.488 3.206 20 0 EGADRP CCc1ccc(C[C@H](C)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC001173245692 1384944561 /nfs/dbraw/zinc/94/45/61/1384944561.db2.gz URDHVIZGXAEUAO-MAUKXSAKSA-N 2 0 349.519 3.359 20 0 EGADRP CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001173267023 1384947724 /nfs/dbraw/zinc/94/77/24/1384947724.db2.gz IHWFQLWKBIKHME-SJORKVTESA-N 2 0 341.540 3.391 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1cc(C)ccc1C ZINC001317180224 1384955743 /nfs/dbraw/zinc/95/57/43/1384955743.db2.gz IUSSZHDSLUNAGH-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001173443878 1384971909 /nfs/dbraw/zinc/97/19/09/1384971909.db2.gz DEMOOLCRTLKLHQ-QGZVFWFLSA-N 2 0 347.503 3.005 20 0 EGADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001173539217 1384980708 /nfs/dbraw/zinc/98/07/08/1384980708.db2.gz MOJAWZHPOATLIG-AWEZNQCLSA-N 2 0 344.330 3.281 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([N@H+](CCC[NH3+])C1CCCCC1)CC2 ZINC001173599629 1384985478 /nfs/dbraw/zinc/98/54/78/1384985478.db2.gz PTLAGPDBSUIPSN-QPIRBTGLSA-N 2 0 336.520 3.482 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001173621608 1384989966 /nfs/dbraw/zinc/98/99/66/1384989966.db2.gz YUBBFGWXUQKZCP-UXHICEINSA-N 2 0 344.499 3.494 20 0 EGADRP C[C@@H]1CC([NH2+][C@@H]2CCC[N@H+](C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173676609 1385001623 /nfs/dbraw/zinc/00/16/23/1385001623.db2.gz YGGFONOXSAWSNO-BZUAXINKSA-N 2 0 339.524 3.237 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])NC1CCC2(CCc3ccccc32)CC1 ZINC001173686604 1385004499 /nfs/dbraw/zinc/00/44/99/1385004499.db2.gz STVKTGROYUYBJR-UHFFFAOYSA-N 2 0 342.531 3.269 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)n2cc(CC[NH3+])c3c[nH+]ccc32)cc1 ZINC001173720282 1385009542 /nfs/dbraw/zinc/00/95/42/1385009542.db2.gz KFEDKTANNUIRRH-AWEZNQCLSA-N 2 0 337.423 3.128 20 0 EGADRP [NH3+]CCCCCCCCCCC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173752210 1385013379 /nfs/dbraw/zinc/01/33/79/1385013379.db2.gz OWYZLFVGKNVSCW-ZWKOTPCHSA-N 2 0 336.528 3.216 20 0 EGADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)c1ccccc1Cl ZINC001317258347 1385028395 /nfs/dbraw/zinc/02/83/95/1385028395.db2.gz JBKQYVGSILUATP-HUUCEWRRSA-N 2 0 349.906 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317281477 1385051821 /nfs/dbraw/zinc/05/18/21/1385051821.db2.gz XREFQCCNLOBBJE-AOCRQIFASA-N 2 0 339.568 3.275 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001317362865 1385105199 /nfs/dbraw/zinc/10/51/99/1385105199.db2.gz HVIFERPLZFDXJL-UXHICEINSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1cc(Nc2cccc(F)c2OCC2CC[NH+](C)CC2)cc[nH+]1 ZINC001174657225 1385131048 /nfs/dbraw/zinc/13/10/48/1385131048.db2.gz BRGSQOPHQGKNLY-UHFFFAOYSA-N 2 0 329.419 3.415 20 0 EGADRP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174813256 1385152585 /nfs/dbraw/zinc/15/25/85/1385152585.db2.gz GNNNHOYAWJWFAX-UHFFFAOYSA-N 2 0 339.418 3.277 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@H+](C)CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317471751 1385166530 /nfs/dbraw/zinc/16/65/30/1385166530.db2.gz OMTSMHIRJXTHKZ-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)c1occc1C[NH+](C)C ZINC001174927939 1385170876 /nfs/dbraw/zinc/17/08/76/1385170876.db2.gz HUUQOAZMYGTRPO-OAHLLOKOSA-N 2 0 335.492 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174929684 1385171358 /nfs/dbraw/zinc/17/13/58/1385171358.db2.gz SKGRFVJFCXDDPH-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)cs1 ZINC001174948379 1385173289 /nfs/dbraw/zinc/17/32/89/1385173289.db2.gz LEFMXICPWJRIAI-HNNXBMFYSA-N 2 0 339.549 3.163 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949112 1385173472 /nfs/dbraw/zinc/17/34/72/1385173472.db2.gz QEMSTRQSJKJFBI-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042964 1385185598 /nfs/dbraw/zinc/18/55/98/1385185598.db2.gz YHUPCORLJKAIKP-DKFQHHCZSA-N 2 0 337.552 3.339 20 0 EGADRP CC[C@@H]([NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c1ccccc1 ZINC001175047645 1385186169 /nfs/dbraw/zinc/18/61/69/1385186169.db2.gz ABWJAXXAYRLOKD-IEBWSBKVSA-N 2 0 333.520 3.354 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001175056338 1385187217 /nfs/dbraw/zinc/18/72/17/1385187217.db2.gz MHOIUNYPCHDPFZ-JKSUJKDBSA-N 2 0 337.483 3.103 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1)[NH+](CC)CC ZINC001175217436 1385222828 /nfs/dbraw/zinc/22/28/28/1385222828.db2.gz GSPPZSFUAAUURB-AEFFLSMTSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256951 1385230729 /nfs/dbraw/zinc/23/07/29/1385230729.db2.gz RCPUXKRQMDLXGT-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265131 1385234308 /nfs/dbraw/zinc/23/43/08/1385234308.db2.gz XKZOVRUFOOTKBM-KRWDZBQOSA-N 2 0 333.520 3.079 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264286 1385234733 /nfs/dbraw/zinc/23/47/33/1385234733.db2.gz RXDZRQNGJLXYHZ-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC001335942407 1388972237 /nfs/dbraw/zinc/97/22/37/1388972237.db2.gz PSGXWNKNCUBVRE-NRFANRHFSA-N 2 0 326.484 3.220 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001317540965 1385278890 /nfs/dbraw/zinc/27/88/90/1385278890.db2.gz PHSWSEDZQIGGJN-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001175574040 1385336365 /nfs/dbraw/zinc/33/63/65/1385336365.db2.gz SYNULKKFLPCQDT-MXDRFRHJSA-N 2 0 343.943 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317623108 1385357835 /nfs/dbraw/zinc/35/78/35/1385357835.db2.gz KVBAEUKQBBWBMD-AEFFLSMTSA-N 2 0 349.494 3.057 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC)c1 ZINC001175769274 1385399505 /nfs/dbraw/zinc/39/95/05/1385399505.db2.gz PMJJZGQEGWKYMZ-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335986004 1388983462 /nfs/dbraw/zinc/98/34/62/1388983462.db2.gz IDTWXLGVXWAQLQ-CJNGLKHVSA-N 2 0 344.421 3.449 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[C@@H](C)C1 ZINC001317747417 1385435533 /nfs/dbraw/zinc/43/55/33/1385435533.db2.gz TWBWPVWGUVRTBI-WTGUMLROSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC[C@@H](C)F)CC1 ZINC001175968012 1385447713 /nfs/dbraw/zinc/44/77/13/1385447713.db2.gz SLTJOUGFOMXQDF-IAGOWNOFSA-N 2 0 343.531 3.120 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176023410 1385463479 /nfs/dbraw/zinc/46/34/79/1385463479.db2.gz HNIJGMTYVQTVHB-GFOMBABLSA-N 2 0 325.541 3.339 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[NH+]2CCCC2)cc1 ZINC001176102611 1385484970 /nfs/dbraw/zinc/48/49/70/1385484970.db2.gz JGICXJWFNLDTAR-QGZVFWFLSA-N 2 0 331.504 3.063 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192220 1385507334 /nfs/dbraw/zinc/50/73/34/1385507334.db2.gz GAUIBYNHEKYCFG-MRXNPFEDSA-N 2 0 348.535 3.462 20 0 EGADRP COCC[C@H](c1ccccc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176280339 1385537449 /nfs/dbraw/zinc/53/74/49/1385537449.db2.gz AGYQLFXIYMMRKP-YLJYHZDGSA-N 2 0 325.456 3.370 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176285202 1385538999 /nfs/dbraw/zinc/53/89/99/1385538999.db2.gz NFIJYOHXNYEJCB-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2cc[nH+]c(N3CCCC3)c2)cn1 ZINC001176351958 1385560523 /nfs/dbraw/zinc/56/05/23/1385560523.db2.gz GFKGLGTWANBOKE-UHFFFAOYSA-N 2 0 341.459 3.151 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2cccc(C[NH+](C)C)c2)cn1 ZINC001176355623 1385561818 /nfs/dbraw/zinc/56/18/18/1385561818.db2.gz PZUKXTJEXCRWQD-UHFFFAOYSA-N 2 0 328.460 3.217 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566215 1385627562 /nfs/dbraw/zinc/62/75/62/1385627562.db2.gz ZQEYBSHRKXFGSY-MJGOQNOKSA-N 2 0 335.536 3.093 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176739572 1385677376 /nfs/dbraw/zinc/67/73/76/1385677376.db2.gz WWZZTQKYPAOZTA-PHWHVTFISA-N 2 0 337.552 3.483 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001176745568 1385680735 /nfs/dbraw/zinc/68/07/35/1385680735.db2.gz BERZFLRGFMZFAF-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176753025 1385683414 /nfs/dbraw/zinc/68/34/14/1385683414.db2.gz CJIVUZIKQNWKHD-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176753364 1385683862 /nfs/dbraw/zinc/68/38/62/1385683862.db2.gz GYMLPAGCQZOJCA-KRWDZBQOSA-N 2 0 327.557 3.418 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176753726 1385684218 /nfs/dbraw/zinc/68/42/18/1385684218.db2.gz LRXWROPNSKOCFK-RBUKOAKNSA-N 2 0 339.568 3.418 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754391 1385684999 /nfs/dbraw/zinc/68/49/99/1385684999.db2.gz UHUPXAHULWBDKG-GFOMBABLSA-N 2 0 325.541 3.338 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760304 1385686526 /nfs/dbraw/zinc/68/65/26/1385686526.db2.gz UKUWKMVVUIPZIZ-HMTUNPETSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CCCC[NH+]1CCCC1 ZINC001176814078 1385711135 /nfs/dbraw/zinc/71/11/35/1385711135.db2.gz FCLAADBRTRXXKV-SDMNGIDPSA-N 2 0 343.943 3.270 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815234 1385711624 /nfs/dbraw/zinc/71/16/24/1385711624.db2.gz OLECPHKYPNIQHA-IBGZPJMESA-N 2 0 337.552 3.483 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001176986843 1385764457 /nfs/dbraw/zinc/76/44/57/1385764457.db2.gz WYXLYBJRBFXKCA-PKOBYXMFSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001176998856 1385769139 /nfs/dbraw/zinc/76/91/39/1385769139.db2.gz IMIUVMGQMDYPJD-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001318596691 1385782911 /nfs/dbraw/zinc/78/29/11/1385782911.db2.gz WDYDFGFACBYVCO-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001318867646 1385865553 /nfs/dbraw/zinc/86/55/53/1385865553.db2.gz ZNYXWGFRMGZBMZ-HOTGVXAUSA-N 2 0 327.472 3.265 20 0 EGADRP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177266329 1385889747 /nfs/dbraw/zinc/88/97/47/1385889747.db2.gz DPAWZDFEHRIFNF-DPZZJQGRSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001318975534 1385904218 /nfs/dbraw/zinc/90/42/18/1385904218.db2.gz ISRRGFUDFWUNSE-MLYOOKFZSA-N 2 0 345.531 3.413 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001177330454 1385916560 /nfs/dbraw/zinc/91/65/60/1385916560.db2.gz BNSIRYWXKVZKJO-WQLSENKSSA-N 2 0 343.515 3.062 20 0 EGADRP C[N@H+](CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1)C1CCC1 ZINC001177344947 1385922331 /nfs/dbraw/zinc/92/23/31/1385922331.db2.gz DRNKDGWJCMQQTA-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)c1occc1C[NH+](C)C ZINC001177398161 1385943255 /nfs/dbraw/zinc/94/32/55/1385943255.db2.gz MOJONZNYRBUSDU-UHFFFAOYSA-N 2 0 349.519 3.362 20 0 EGADRP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177481215 1385972772 /nfs/dbraw/zinc/97/27/72/1385972772.db2.gz OAHNRIFYQOLLFY-ARJAWSKDSA-N 2 0 349.563 3.437 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC001177483215 1385973678 /nfs/dbraw/zinc/97/36/78/1385973678.db2.gz JCUATRFBIPPJME-QGZVFWFLSA-N 2 0 326.444 3.090 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177485079 1385975151 /nfs/dbraw/zinc/97/51/51/1385975151.db2.gz QIQRCZPSXMQBFL-HDICACEKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177488983 1385976810 /nfs/dbraw/zinc/97/68/10/1385976810.db2.gz PZCCTJBSXSSUDM-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001319271266 1386034461 /nfs/dbraw/zinc/03/44/61/1386034461.db2.gz YQHDSSOFQYRTEV-YOEHRIQHSA-N 2 0 347.528 3.083 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CCCC1)[NH+](C)C ZINC001319374962 1386088860 /nfs/dbraw/zinc/08/88/60/1386088860.db2.gz PMSFSTAIJAANJT-YJBOKZPZSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCCC2)c1 ZINC001319389869 1386099556 /nfs/dbraw/zinc/09/95/56/1386099556.db2.gz SHMLBXVEXCKXOC-PKOBYXMFSA-N 2 0 343.515 3.026 20 0 EGADRP CCc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001178045057 1386115168 /nfs/dbraw/zinc/11/51/68/1386115168.db2.gz BKEAEHWNKUOZEO-FQEVSTJZSA-N 2 0 345.531 3.109 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045616 1386115496 /nfs/dbraw/zinc/11/54/96/1386115496.db2.gz PRMXBJYDWLAMKC-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001178045673 1386115651 /nfs/dbraw/zinc/11/56/51/1386115651.db2.gz RSBUTLYUWIFOTR-UXHICEINSA-N 2 0 343.515 3.034 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001319558980 1386178229 /nfs/dbraw/zinc/17/82/29/1386178229.db2.gz CHYXEVVHQYNMQQ-JXFKEZNVSA-N 2 0 341.499 3.117 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)Cc2c[nH]cn2)CCCC1 ZINC001698633659 1406277744 /nfs/dbraw/zinc/27/77/44/1406277744.db2.gz JKSBRTCKWWYKSE-INIZCTEOSA-N 2 0 340.471 3.040 20 0 EGADRP CC[C@@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC001178369993 1386199314 /nfs/dbraw/zinc/19/93/14/1386199314.db2.gz SIGLJIMJELRGQP-SFHVURJKSA-N 2 0 327.472 3.305 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2coc(-c3ccccc3)n2)CC1 ZINC001178377401 1386201762 /nfs/dbraw/zinc/20/17/62/1386201762.db2.gz JGHMPAMWJZHPLA-UHFFFAOYSA-N 2 0 349.438 3.101 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483585 1386231335 /nfs/dbraw/zinc/23/13/35/1386231335.db2.gz FMELDVWFWLPEQP-RBUKOAKNSA-N 2 0 335.536 3.093 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1)C1CCC1 ZINC001178705226 1386283838 /nfs/dbraw/zinc/28/38/38/1386283838.db2.gz JGPPRQISIGSCMZ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319763227 1386285469 /nfs/dbraw/zinc/28/54/69/1386285469.db2.gz MMSJEBRYFFHGBD-VGSWGCGISA-N 2 0 335.495 3.462 20 0 EGADRP O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810262 1386313842 /nfs/dbraw/zinc/31/38/42/1386313842.db2.gz AWJSVNMHRLVQAH-YZBXERDGSA-N 2 0 341.927 3.022 20 0 EGADRP O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178810259 1386314322 /nfs/dbraw/zinc/31/43/22/1386314322.db2.gz AWJSVNMHRLVQAH-ANDZVCCMSA-N 2 0 341.927 3.022 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC001178816237 1386315972 /nfs/dbraw/zinc/31/59/72/1386315972.db2.gz YCKWQVYQHVFLDV-CTWPCTMYSA-N 2 0 339.568 3.419 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178833378 1386322478 /nfs/dbraw/zinc/32/24/78/1386322478.db2.gz TXOKZCGQHQTXII-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1)CC1CCC1 ZINC001319891306 1386368544 /nfs/dbraw/zinc/36/85/44/1386368544.db2.gz TWPGMNUIDWGFLB-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179138975 1386408601 /nfs/dbraw/zinc/40/86/01/1386408601.db2.gz GFDPKZWLBXRXJY-UHFFFAOYSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179234404 1386428532 /nfs/dbraw/zinc/42/85/32/1386428532.db2.gz NBXRZKIUCFMANQ-FFZOFVMBSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179392317 1386473149 /nfs/dbraw/zinc/47/31/49/1386473149.db2.gz CZZVPDHWFRSUNB-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc2c[nH+]cn21 ZINC001320101260 1386512559 /nfs/dbraw/zinc/51/25/59/1386512559.db2.gz BTSOLMZDZDJEST-HOCLYGCPSA-N 2 0 340.471 3.026 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580600 1386521762 /nfs/dbraw/zinc/52/17/62/1386521762.db2.gz JRGWDBLDSFWSGJ-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179590240 1386524723 /nfs/dbraw/zinc/52/47/23/1386524723.db2.gz FIIIJSHRECCQJP-QZTJIDSGSA-N 2 0 325.541 3.031 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC001320241897 1386562038 /nfs/dbraw/zinc/56/20/38/1386562038.db2.gz GRCCXIYWBYPHEV-RTWAWAEBSA-N 2 0 329.532 3.156 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001179746211 1386570202 /nfs/dbraw/zinc/57/02/02/1386570202.db2.gz QZCUWVFMYAZYRQ-QZTJIDSGSA-N 2 0 343.531 3.264 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749778 1386571693 /nfs/dbraw/zinc/57/16/93/1386571693.db2.gz UBUQPLBVCHGNCO-QGZVFWFLSA-N 2 0 325.541 3.031 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179850952 1386607199 /nfs/dbraw/zinc/60/71/99/1386607199.db2.gz PAVLDPYHJGPOSM-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1cccc(F)c1 ZINC001179959134 1386648618 /nfs/dbraw/zinc/64/86/18/1386648618.db2.gz ZLYLJFHMWFORDW-GJYPPUQNSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179965015 1386651037 /nfs/dbraw/zinc/65/10/37/1386651037.db2.gz QZPSKWINNWIYAY-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)[C@@H]1C ZINC001179979433 1386656407 /nfs/dbraw/zinc/65/64/07/1386656407.db2.gz XWULRBXAIBMEFQ-BJLQDIEVSA-N 2 0 345.531 3.367 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1c(C)cccc1C ZINC001179991916 1386661575 /nfs/dbraw/zinc/66/15/75/1386661575.db2.gz DROHHWSNEVAJAL-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP Cn1cncc1CC(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001180065188 1386685069 /nfs/dbraw/zinc/68/50/69/1386685069.db2.gz JKLUSINKEJXVMX-UHFFFAOYSA-N 2 0 348.535 3.199 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065400 1386685246 /nfs/dbraw/zinc/68/52/46/1386685246.db2.gz QAMHHCPZJARZTH-RBUKOAKNSA-N 2 0 337.552 3.339 20 0 EGADRP Cn1cncc1CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180064945 1386685402 /nfs/dbraw/zinc/68/54/02/1386685402.db2.gz AZRITBOWUDXEJJ-UHFFFAOYSA-N 2 0 346.519 3.119 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001180065724 1386685488 /nfs/dbraw/zinc/68/54/88/1386685488.db2.gz ZUTFZEXVKSTYEA-OALUTQOASA-N 2 0 345.531 3.356 20 0 EGADRP C[C@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180156930 1386716957 /nfs/dbraw/zinc/71/69/57/1386716957.db2.gz MFBRZIAABVXDHY-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@H]1CCC[N@H+](CC)C1)CCC2 ZINC001320861718 1386740652 /nfs/dbraw/zinc/74/06/52/1386740652.db2.gz FDLSKJCCRQECFL-HZPDHXFCSA-N 2 0 348.487 3.464 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CCC2CCCCC2)C1 ZINC001180259396 1386748271 /nfs/dbraw/zinc/74/82/71/1386748271.db2.gz FNWPIFRJOQGZLZ-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180272491 1386751029 /nfs/dbraw/zinc/75/10/29/1386751029.db2.gz GPIOTBMOPKSPGP-WMZOPIPTSA-N 2 0 349.544 3.093 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274736 1386752122 /nfs/dbraw/zinc/75/21/22/1386752122.db2.gz UDSSZHAVQNSBAL-IBGZPJMESA-N 2 0 345.531 3.418 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274414 1386752368 /nfs/dbraw/zinc/75/23/68/1386752368.db2.gz CFRIFWZKLIFSFB-SFHVURJKSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180294678 1386758001 /nfs/dbraw/zinc/75/80/01/1386758001.db2.gz QWGFIGRRQNVZDN-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369736 1386776923 /nfs/dbraw/zinc/77/69/23/1386776923.db2.gz UXNJWJWFWWPUDU-GOSISDBHSA-N 2 0 327.557 3.275 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180372920 1386777768 /nfs/dbraw/zinc/77/77/68/1386777768.db2.gz NZXBLLPONNGWJM-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180372841 1386777815 /nfs/dbraw/zinc/77/78/15/1386777815.db2.gz IASCMKBJUKCJPG-VOFKWLDRSA-N 2 0 337.552 3.483 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3sccc3Cl)c2)CC1 ZINC001321043970 1386792753 /nfs/dbraw/zinc/79/27/53/1386792753.db2.gz UWGWGEVGYGIGQU-UHFFFAOYSA-N 2 0 349.931 3.439 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518699 1387008615 /nfs/dbraw/zinc/00/86/15/1387008615.db2.gz ZHZIFESQACAFMW-SWQIVCBNSA-N 2 0 349.563 3.147 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001322089432 1387049916 /nfs/dbraw/zinc/04/99/16/1387049916.db2.gz SLJPYWCULYMOJG-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001322127719 1387065911 /nfs/dbraw/zinc/06/59/11/1387065911.db2.gz SWFXDEDMYUACRF-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007182 1387093402 /nfs/dbraw/zinc/09/34/02/1387093402.db2.gz GYXAHKMJMQZCDW-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322244931 1387118586 /nfs/dbraw/zinc/11/85/86/1387118586.db2.gz RFIMSEXIACMSOS-MRXNPFEDSA-N 2 0 327.557 3.227 20 0 EGADRP CC(C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001698698759 1406341788 /nfs/dbraw/zinc/34/17/88/1406341788.db2.gz JHCVWIRKYKEBOJ-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182591169 1387192998 /nfs/dbraw/zinc/19/29/98/1387192998.db2.gz UVULWIPMPZUQQP-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001182614097 1387196495 /nfs/dbraw/zinc/19/64/95/1387196495.db2.gz AHINWTVUGYQKED-LVCYWYKZSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)CCOc1ccc(F)cc1 ZINC001322847176 1387245903 /nfs/dbraw/zinc/24/59/03/1387245903.db2.gz QXTAKANOLPQGIU-UHFFFAOYSA-N 2 0 340.358 3.122 20 0 EGADRP Cc1cc2ncn(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c2cc1C ZINC001336078843 1389008722 /nfs/dbraw/zinc/00/87/22/1389008722.db2.gz PLEVCWIOGLHJLZ-OKZBNKHCSA-N 2 0 326.488 3.273 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001698713055 1406355641 /nfs/dbraw/zinc/35/56/41/1406355641.db2.gz LDLKBXFUCQBKNG-IYARVYRRSA-N 2 0 339.568 3.418 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001698717029 1406360782 /nfs/dbraw/zinc/36/07/82/1406360782.db2.gz KACWVUADVAWQPC-VAMGGRTRSA-N 2 0 345.531 3.161 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001698715909 1406359105 /nfs/dbraw/zinc/35/91/05/1406359105.db2.gz BLHVCVYAVSILOS-IHPCNDPISA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001698723759 1406371780 /nfs/dbraw/zinc/37/17/80/1406371780.db2.gz ZZRWXJQBXOVTJV-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](CC2CCCC2)CC1)Nc1ccccc1 ZINC001338418226 1389679695 /nfs/dbraw/zinc/67/96/95/1389679695.db2.gz KVFPVINOGKTPPB-UHFFFAOYSA-N 2 0 329.488 3.259 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001331560437 1389799505 /nfs/dbraw/zinc/79/95/05/1389799505.db2.gz LCRCKPKUPHTTTG-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CC1CCCCC1 ZINC001331642926 1389841013 /nfs/dbraw/zinc/84/10/13/1389841013.db2.gz FHQIZMMDALNOIP-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)C1CCN(c2cc(NCc3ccccc3)ncn2)CC1 ZINC001331890090 1389898960 /nfs/dbraw/zinc/89/89/60/1389898960.db2.gz GBSSOQHCKLVFJT-UHFFFAOYSA-N 2 0 339.487 3.399 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001332015446 1389947023 /nfs/dbraw/zinc/94/70/23/1389947023.db2.gz NHGBTEXWUDKRQE-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001332299301 1390079565 /nfs/dbraw/zinc/07/95/65/1390079565.db2.gz KEXKCNFSLVNFAE-MSOLQXFVSA-N 2 0 333.545 3.202 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332424975 1390113379 /nfs/dbraw/zinc/11/33/79/1390113379.db2.gz SFVNPJBNQVBIAS-OAHLLOKOSA-N 2 0 349.906 3.441 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccc(C)c(C)c1)C(C)(C)C ZINC001332890776 1390209824 /nfs/dbraw/zinc/20/98/24/1390209824.db2.gz DLHQRDVRZJTCRY-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC001340514726 1390303230 /nfs/dbraw/zinc/30/32/30/1390303230.db2.gz LPRNXFGVBFQAPA-IAGOWNOFSA-N 2 0 329.488 3.196 20 0 EGADRP FC(F)(F)Oc1cccc(CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001333657898 1390367527 /nfs/dbraw/zinc/36/75/27/1390367527.db2.gz JHOWMVJMGKRZQW-AWEZNQCLSA-N 2 0 328.378 3.202 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001340789743 1390367956 /nfs/dbraw/zinc/36/79/56/1390367956.db2.gz KEPLNXCMPXPRRX-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP CCCN(C(=O)CC(C)(C)C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC001341402508 1390482872 /nfs/dbraw/zinc/48/28/72/1390482872.db2.gz BSFDQFCVBGEACE-UHFFFAOYSA-N 2 0 345.531 3.265 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)c(OC)c1 ZINC001341567794 1390503853 /nfs/dbraw/zinc/50/38/53/1390503853.db2.gz LHOFJGJZTYZCLZ-QGZVFWFLSA-N 2 0 341.455 3.484 20 0 EGADRP C[C@H]1CCCN(Cc2csc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629113 1390511746 /nfs/dbraw/zinc/51/17/46/1390511746.db2.gz AYCWKUOYHFXJTC-GXTWGEPZSA-N 2 0 338.521 3.077 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(Cl)cc1O ZINC001334358158 1390524375 /nfs/dbraw/zinc/52/43/75/1390524375.db2.gz WYDZBNCOPDJTPR-YDHLFZDLSA-N 2 0 338.879 3.216 20 0 EGADRP C[C@@H]([NH2+]CCOC1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001335506930 1390695705 /nfs/dbraw/zinc/69/57/05/1390695705.db2.gz QXJBUYVMEAHCMY-IEBWSBKVSA-N 2 0 348.556 3.399 20 0 EGADRP C[NH+]1CCC(C[NH2+]C2(Cc3ccccc3Br)CC2)CC1 ZINC001343189096 1390698012 /nfs/dbraw/zinc/69/80/12/1390698012.db2.gz ONVSUDNVIOUFNC-UHFFFAOYSA-N 2 0 337.305 3.456 20 0 EGADRP COc1cccc(N2CCC([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC001345469999 1390861460 /nfs/dbraw/zinc/86/14/60/1390861460.db2.gz MSTAUNCILRKKFU-RTWAWAEBSA-N 2 0 337.467 3.398 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001486423950 1391007264 /nfs/dbraw/zinc/00/72/64/1391007264.db2.gz KJZDWCVENADPNR-IBGZPJMESA-N 2 0 345.531 3.183 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001347927757 1391147538 /nfs/dbraw/zinc/14/75/38/1391147538.db2.gz YNCBAMOBYWFHBW-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)[NH+](C)C ZINC001488660282 1391698168 /nfs/dbraw/zinc/69/81/68/1391698168.db2.gz CNVNNXKQCSRFMB-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)(C[NH3+])CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001353519220 1392029843 /nfs/dbraw/zinc/02/98/43/1392029843.db2.gz WSZOFPQQLYZIMD-UHFFFAOYSA-N 2 0 331.504 3.054 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2)C1CCC1 ZINC001479980184 1392514275 /nfs/dbraw/zinc/51/42/75/1392514275.db2.gz FEMLESLQRWIFKD-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698861267 1406571855 /nfs/dbraw/zinc/57/18/55/1406571855.db2.gz OBVDMUQUJSKQCH-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCCC1)C1CC1 ZINC001480039844 1392545632 /nfs/dbraw/zinc/54/56/32/1392545632.db2.gz IAIDDHGJNUIGGO-PMACEKPBSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480073865 1392563883 /nfs/dbraw/zinc/56/38/83/1392563883.db2.gz XWNWRMAFHLAQFI-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001480209840 1392623211 /nfs/dbraw/zinc/62/32/11/1392623211.db2.gz SGQBVGHRMSCIFS-OTWHNJEPSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC001480320568 1392681121 /nfs/dbraw/zinc/68/11/21/1392681121.db2.gz ZTVIXDLRJOIQRI-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001480380750 1392724046 /nfs/dbraw/zinc/72/40/46/1392724046.db2.gz XKCISLABCDLYIF-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001480737846 1392903815 /nfs/dbraw/zinc/90/38/15/1392903815.db2.gz AKCHNUORCJNJOW-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1cccc(F)c1 ZINC001480979437 1393064336 /nfs/dbraw/zinc/06/43/36/1393064336.db2.gz JEPGMIDTUDLVFG-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCCC1CCCC1)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480985339 1393068287 /nfs/dbraw/zinc/06/82/87/1393068287.db2.gz BUCFZTZXXMIYKG-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001481117643 1393124140 /nfs/dbraw/zinc/12/41/40/1393124140.db2.gz BGVRZNNRYHFQII-SFHVURJKSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1ccc(F)cc1 ZINC001481137148 1393130434 /nfs/dbraw/zinc/13/04/34/1393130434.db2.gz DQUXDOXPHRCXAF-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481172061 1393141306 /nfs/dbraw/zinc/14/13/06/1393141306.db2.gz YQKHYASUPQRICT-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](CC)CC1 ZINC001490615759 1394284023 /nfs/dbraw/zinc/28/40/23/1394284023.db2.gz AUKKRPCBAUXHTC-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001490616770 1394284878 /nfs/dbraw/zinc/28/48/78/1394284878.db2.gz HZJVVHGVWDPSMN-FAFZWHIHSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481438216 1394292793 /nfs/dbraw/zinc/29/27/93/1394292793.db2.gz BZIILJOPHOKYAB-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccccc1 ZINC001491181089 1394461371 /nfs/dbraw/zinc/46/13/71/1394461371.db2.gz ZGBWZTBYAMPDLF-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC001491273837 1394500346 /nfs/dbraw/zinc/50/03/46/1394500346.db2.gz MNSFTMVNFMCMPO-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001482433920 1394995077 /nfs/dbraw/zinc/99/50/77/1394995077.db2.gz MBNDCOUGBXSUFR-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001482477782 1395032033 /nfs/dbraw/zinc/03/20/33/1395032033.db2.gz IDZPRKZHDHWSAK-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2C)C1)[NH+](C)C ZINC001484168703 1395308293 /nfs/dbraw/zinc/30/82/93/1395308293.db2.gz OXVUFSBGOUTSFC-FPOVZHCZSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@H](C)[NH2+]CC2CCC2)cc1)[NH+](C)C ZINC001484562324 1395448550 /nfs/dbraw/zinc/44/85/50/1395448550.db2.gz XUHIDMMLSDOFDN-KXBFYZLASA-N 2 0 331.504 3.094 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001484723963 1395487035 /nfs/dbraw/zinc/48/70/35/1395487035.db2.gz LTURTAGWUDIRLA-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001484724829 1395488784 /nfs/dbraw/zinc/48/87/84/1395488784.db2.gz YZTADJXWSWKBTI-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1 ZINC001698989033 1406775703 /nfs/dbraw/zinc/77/57/03/1406775703.db2.gz GRKJUPBHAWRBMX-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289347 1395766567 /nfs/dbraw/zinc/76/65/67/1395766567.db2.gz ZXPAWYDAWRDOOA-QFBILLFUSA-N 2 0 345.531 3.015 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC001485387213 1395876350 /nfs/dbraw/zinc/87/63/50/1395876350.db2.gz JNHIZTFUOBFUGZ-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C/C=C/c1ccccc1 ZINC001502968237 1396235640 /nfs/dbraw/zinc/23/56/40/1396235640.db2.gz LHDHDBCCSAXRBW-CNLJBLCWSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C/C=C/c1ccccc1 ZINC001502968248 1396236003 /nfs/dbraw/zinc/23/60/03/1396236003.db2.gz LHDHDBCCSAXRBW-ZPPSIVDRSA-N 2 0 343.515 3.011 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001503646031 1396261552 /nfs/dbraw/zinc/26/15/52/1396261552.db2.gz VYHWYUBFMILCEY-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CCc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)c1 ZINC001505410410 1396293983 /nfs/dbraw/zinc/29/39/83/1396293983.db2.gz NNYBAJPECPCIKV-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1cccc(C)c1 ZINC001493297391 1396339292 /nfs/dbraw/zinc/33/92/92/1396339292.db2.gz MHUQYUNZGADLDD-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494321766 1396430918 /nfs/dbraw/zinc/43/09/18/1396430918.db2.gz NXKFVMHHDKHNOS-UEKDZROGSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001494593213 1396480696 /nfs/dbraw/zinc/48/06/96/1396480696.db2.gz PQZFFQKDNBMIME-KXBFYZLASA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001497297387 1396745313 /nfs/dbraw/zinc/74/53/13/1396745313.db2.gz FEYYZDOBTNDZRB-BEFAXECRSA-N 2 0 349.494 3.029 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001689098210 1396904972 /nfs/dbraw/zinc/90/49/72/1396904972.db2.gz DDGXSBPRMSTSSQ-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001690029504 1404268038 /nfs/dbraw/zinc/26/80/38/1404268038.db2.gz FFWLJJYNSNKHGR-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001690049228 1404282448 /nfs/dbraw/zinc/28/24/48/1404282448.db2.gz ICEWRBJRAUCAOU-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP C[N@H+](CCC(=O)NC[C@@H]1CCC[NH+](CC2CCC2)C1)C1CCCCC1 ZINC001690385212 1404517930 /nfs/dbraw/zinc/51/79/30/1404517930.db2.gz IYVPGZFQLINWMG-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001690459866 1404590536 /nfs/dbraw/zinc/59/05/36/1404590536.db2.gz ULLKRUHJVZVOAN-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001690633530 1404666071 /nfs/dbraw/zinc/66/60/71/1404666071.db2.gz FPLQLQKEMZFPKT-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001690688925 1404689867 /nfs/dbraw/zinc/68/98/67/1404689867.db2.gz OWMTVRABTHYCJY-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001690732758 1404701439 /nfs/dbraw/zinc/70/14/39/1404701439.db2.gz PEBDDDMUFMWRFF-APWZRJJASA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\Cl)C1)[NH+]1CCCCC1 ZINC001690772522 1404721631 /nfs/dbraw/zinc/72/16/31/1404721631.db2.gz UDTQEZMTDCDYCU-LWALAHDXSA-N 2 0 341.927 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001690824310 1404760358 /nfs/dbraw/zinc/76/03/58/1404760358.db2.gz AQPVUGLZQGGWSZ-ICSRJNTNSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001690986498 1404901610 /nfs/dbraw/zinc/90/16/10/1404901610.db2.gz UYSKRAZDUBKNEM-INIZCTEOSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1cccc(C)c1 ZINC001691180366 1405118700 /nfs/dbraw/zinc/11/87/00/1405118700.db2.gz AIYTZMYPQAUHEJ-NLWGTHIKSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001691222313 1405163122 /nfs/dbraw/zinc/16/31/22/1405163122.db2.gz YYOCWWZYCDSHCE-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001691538611 1405330552 /nfs/dbraw/zinc/33/05/52/1405330552.db2.gz YSODWZNWBLNFNI-MRXNPFEDSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001691686193 1405421645 /nfs/dbraw/zinc/42/16/45/1405421645.db2.gz HGVRKLLVNSHLQG-ZWKOTPCHSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001731803298 1427969951 /nfs/dbraw/zinc/96/99/51/1427969951.db2.gz JVTONOWBKRKYOQ-WOJBJXKFSA-N 2 0 345.531 3.449 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698552443 1406149959 /nfs/dbraw/zinc/14/99/59/1406149959.db2.gz NGVPYYDGMKVIQW-DUMMIQTOSA-N 2 0 335.536 3.045 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001698585157 1406201276 /nfs/dbraw/zinc/20/12/76/1406201276.db2.gz LECJFIDEXJMSBW-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001732171540 1428415985 /nfs/dbraw/zinc/41/59/85/1428415985.db2.gz SDPWUGZOXIAVER-LJQANCHMSA-N 2 0 345.531 3.185 20 0 EGADRP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001732187260 1428437809 /nfs/dbraw/zinc/43/78/09/1428437809.db2.gz QBFXFBPKKQEQAE-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1ccccc1C ZINC001732203956 1428453802 /nfs/dbraw/zinc/45/38/02/1428453802.db2.gz JQNSYXMMSNUYLZ-ZWKOTPCHSA-N 2 0 343.515 3.169 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1)[NH+]1CCCCCC1 ZINC001732312067 1428524522 /nfs/dbraw/zinc/52/45/22/1428524522.db2.gz NPINEKFKPPULDE-YUXQBHTBSA-N 2 0 341.927 3.020 20 0 EGADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001732488898 1428611798 /nfs/dbraw/zinc/61/17/98/1428611798.db2.gz ONNBXOSWAMFOCX-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463085 1412821582 /nfs/dbraw/zinc/82/15/82/1412821582.db2.gz DCKFPJLKGPVSHS-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001699482172 1412876748 /nfs/dbraw/zinc/87/67/48/1412876748.db2.gz PLAKSTDQNSUMQQ-UYAOXDASSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001699655283 1413038180 /nfs/dbraw/zinc/03/81/80/1413038180.db2.gz WONXJKKKFJBZIP-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001699828167 1413256605 /nfs/dbraw/zinc/25/66/05/1413256605.db2.gz YWJZBKWGILNAEI-OXJNMPFZSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699856282 1413287926 /nfs/dbraw/zinc/28/79/26/1413287926.db2.gz WNTAWQNYGNPHHN-GHTZIAJQSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@]2(C)CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001699874877 1413329104 /nfs/dbraw/zinc/32/91/04/1413329104.db2.gz QYAOJBVBTOWFMK-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001732551524 1428735476 /nfs/dbraw/zinc/73/54/76/1428735476.db2.gz GJYAMGISCRMACA-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)CCCC(C)(C)C ZINC001700473618 1414096115 /nfs/dbraw/zinc/09/61/15/1414096115.db2.gz GRQKUWSOMVLZDN-INIZCTEOSA-N 2 0 327.557 3.227 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700488437 1414137970 /nfs/dbraw/zinc/13/79/70/1414137970.db2.gz YLLWGVITKMDQBI-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[NH2+][C@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001700501366 1414149440 /nfs/dbraw/zinc/14/94/40/1414149440.db2.gz ALIOBAVULZLVBY-GOSISDBHSA-N 2 0 330.476 3.129 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001732604496 1428857694 /nfs/dbraw/zinc/85/76/94/1428857694.db2.gz BSXLPYDQRHZBPV-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001712998932 1417550874 /nfs/dbraw/zinc/55/08/74/1417550874.db2.gz IOLJAFJQNZTZHE-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CCCC(C)(C)C)C1 ZINC001713135306 1417715179 /nfs/dbraw/zinc/71/51/79/1417715179.db2.gz GXOSPGWCLRMNCQ-GOSISDBHSA-N 2 0 339.568 3.325 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1)[NH+](C)C ZINC001713256999 1417858088 /nfs/dbraw/zinc/85/80/88/1417858088.db2.gz SQKALEFXBBPVQM-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCCC2)CC1 ZINC001713265824 1417874453 /nfs/dbraw/zinc/87/44/53/1417874453.db2.gz VUORPEVYNRQHBM-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)c1 ZINC001713293112 1417920658 /nfs/dbraw/zinc/92/06/58/1417920658.db2.gz UFCZSYUPDNGWCC-WCIBSUBMSA-N 2 0 349.906 3.131 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713378361 1417988212 /nfs/dbraw/zinc/98/82/12/1417988212.db2.gz DHZPWEWKDJBDRO-RBUKOAKNSA-N 2 0 349.494 3.015 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001713467196 1418131066 /nfs/dbraw/zinc/13/10/66/1418131066.db2.gz COAMGTDWPOAPIP-KRWDZBQOSA-N 2 0 333.520 3.082 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1ccccc1C ZINC001713494944 1418199671 /nfs/dbraw/zinc/19/96/71/1418199671.db2.gz OLUKUYBWWJRKFU-LJQANCHMSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001713514680 1418248580 /nfs/dbraw/zinc/24/85/80/1418248580.db2.gz GGIFIOCFZIVDHK-QUCCMNQESA-N 2 0 345.531 3.231 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CCC1 ZINC001713530639 1418278643 /nfs/dbraw/zinc/27/86/43/1418278643.db2.gz JPGYIVSTIPMUPM-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001713625528 1418399076 /nfs/dbraw/zinc/39/90/76/1418399076.db2.gz AFEAAKWCMRUNNL-FUHWJXTLSA-N 2 0 349.494 3.057 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C[N@H+](C)CCCC3CCC3)C2)CC1 ZINC001713757234 1418562517 /nfs/dbraw/zinc/56/25/17/1418562517.db2.gz FOUIBISZTLIRJL-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713791316 1418609258 /nfs/dbraw/zinc/60/92/58/1418609258.db2.gz GFYUIGQCRPBIFH-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835402 1418633280 /nfs/dbraw/zinc/63/32/80/1418633280.db2.gz VOCOJWVZHQOUNX-PXNSSMCTSA-N 2 0 345.531 3.403 20 0 EGADRP O=C(NC[C@H]([NH2+]CC1CCCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001713870057 1418666950 /nfs/dbraw/zinc/66/69/50/1418666950.db2.gz KTMSVPVIANUBGI-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713896845 1418695343 /nfs/dbraw/zinc/69/53/43/1418695343.db2.gz LAGXONHWDNPIII-LJQANCHMSA-N 2 0 345.531 3.332 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC001713959393 1418740707 /nfs/dbraw/zinc/74/07/07/1418740707.db2.gz HFZAUPUOZVYWRN-FHWLQOOXSA-N 2 0 345.531 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001714146507 1418951395 /nfs/dbraw/zinc/95/13/95/1418951395.db2.gz XJHNBAGNPGGRKK-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001714149808 1418955991 /nfs/dbraw/zinc/95/59/91/1418955991.db2.gz FUFDNFJMGCXZRQ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001714413723 1419152097 /nfs/dbraw/zinc/15/20/97/1419152097.db2.gz XTQXOIOGHBBYEY-MOPGFXCFSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001714445518 1419177001 /nfs/dbraw/zinc/17/70/01/1419177001.db2.gz JWNZPGDILCSGGP-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714453743 1419186323 /nfs/dbraw/zinc/18/63/23/1419186323.db2.gz KVLHDJWBXUFGMT-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](CC(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1)CC(C)(C)C ZINC001714560231 1419287750 /nfs/dbraw/zinc/28/77/50/1419287750.db2.gz NKMJXNIYCYDKSR-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714799104 1419514232 /nfs/dbraw/zinc/51/42/32/1419514232.db2.gz NAJRMPPQZBZFIZ-RTBURBONSA-N 2 0 345.531 3.224 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C)cc2)CC1 ZINC001714819018 1419528850 /nfs/dbraw/zinc/52/88/50/1419528850.db2.gz WBAQTJRXSQBIEH-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714867856 1419595959 /nfs/dbraw/zinc/59/59/59/1419595959.db2.gz XFOUNQXTMRRLLA-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001714884393 1419623846 /nfs/dbraw/zinc/62/38/46/1419623846.db2.gz ZBCCVMUSAKHUOF-QZTJIDSGSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714900743 1419642181 /nfs/dbraw/zinc/64/21/81/1419642181.db2.gz VPAQIPIPJZALOT-SJORKVTESA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714924191 1419677184 /nfs/dbraw/zinc/67/71/84/1419677184.db2.gz LYTBPUNWJXXDLZ-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@@H](CNC(=O)CC[N@H+](C)CC)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001715079652 1419815793 /nfs/dbraw/zinc/81/57/93/1419815793.db2.gz AAWSIOVBPSQLEF-HKUYNNGSSA-N 2 0 349.494 3.029 20 0 EGADRP CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001715205315 1419939571 /nfs/dbraw/zinc/93/95/71/1419939571.db2.gz NPEPMSSFRHWYFB-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001715270503 1419986516 /nfs/dbraw/zinc/98/65/16/1419986516.db2.gz FLBPJIUGLAOPGJ-YLJYHZDGSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH2+]CCC3CC3)CCCC2)c1 ZINC001715311268 1420020245 /nfs/dbraw/zinc/02/02/45/1420020245.db2.gz TYGISFJJSUVQKB-UHFFFAOYSA-N 2 0 343.515 3.181 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001715568541 1420257603 /nfs/dbraw/zinc/25/76/03/1420257603.db2.gz XZDBZVYIBCGJJT-WOJBJXKFSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)c1sccc1C[NH+](C)C ZINC001715934543 1420406271 /nfs/dbraw/zinc/40/62/71/1420406271.db2.gz ZCCQEYFXYSKRFH-HUUCEWRRSA-N 2 0 345.512 3.279 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001716412030 1420641987 /nfs/dbraw/zinc/64/19/87/1420641987.db2.gz JISUYJNZSNUJJZ-GJYPPUQNSA-N 2 0 347.547 3.480 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001716518160 1420747360 /nfs/dbraw/zinc/74/73/60/1420747360.db2.gz LWWBPNSDSRZQPQ-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716763855 1420910639 /nfs/dbraw/zinc/91/06/39/1420910639.db2.gz HCWIIDDMHUNFCH-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001716872936 1421000129 /nfs/dbraw/zinc/00/01/29/1421000129.db2.gz KHUVZFRTVITKFK-OXJNMPFZSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001717012423 1421077816 /nfs/dbraw/zinc/07/78/16/1421077816.db2.gz KGTDSGMTHSQUQV-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001717123410 1421126140 /nfs/dbraw/zinc/12/61/40/1421126140.db2.gz XGCAEABZVJAQBS-KESTWPANSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001717214491 1421191275 /nfs/dbraw/zinc/19/12/75/1421191275.db2.gz YAOAHHAXLLUVBB-HXUWFJFHSA-N 2 0 347.547 3.170 20 0 EGADRP CCc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001717338074 1421275492 /nfs/dbraw/zinc/27/54/92/1421275492.db2.gz PKHSJDKFOMFCLF-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1c(C(=O)N(C)CC[C@@H]([NH2+]CC(C)C)C(C)C)ccc2c[nH+]cn21 ZINC001717514002 1421451112 /nfs/dbraw/zinc/45/11/12/1421451112.db2.gz HHOYBQWQDURMNX-LJQANCHMSA-N 2 0 344.503 3.375 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001717537464 1421475535 /nfs/dbraw/zinc/47/55/35/1421475535.db2.gz FIDXSWPZTXLWFH-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1C)C(C)(C)C ZINC001717970139 1421741886 /nfs/dbraw/zinc/74/18/86/1421741886.db2.gz KCOVXIYKZKAZDP-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001733331944 1429516712 /nfs/dbraw/zinc/51/67/12/1429516712.db2.gz YMEHZIAIRULUME-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001733390574 1429579895 /nfs/dbraw/zinc/57/98/95/1429579895.db2.gz FGAUJVJHVIKFDC-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001723962449 1424612127 /nfs/dbraw/zinc/61/21/27/1424612127.db2.gz GQERVJHBWJXEQT-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1(C)CC[NH+](Cc2ccccc2C)CC1 ZINC001724301521 1424785504 /nfs/dbraw/zinc/78/55/04/1424785504.db2.gz CJGGOZFUUVOVNW-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724839071 1425187435 /nfs/dbraw/zinc/18/74/35/1425187435.db2.gz QZAOFWZQWJYSMI-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001724843682 1425193060 /nfs/dbraw/zinc/19/30/60/1425193060.db2.gz NQTVYWNPTYCCNR-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2F)[C@@H](C)C1 ZINC001725002650 1425412441 /nfs/dbraw/zinc/41/24/41/1425412441.db2.gz LMQGBFPWRUXSTK-WMZOPIPTSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1ccccc1F ZINC001725514696 1426204586 /nfs/dbraw/zinc/20/45/86/1426204586.db2.gz LMCQSDRXHLFBOV-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001725565000 1426227221 /nfs/dbraw/zinc/22/72/21/1426227221.db2.gz ITGQGSHAJUDMDL-PKOBYXMFSA-N 2 0 345.531 3.052 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001725691590 1426374791 /nfs/dbraw/zinc/37/47/91/1426374791.db2.gz XCVUYFRKUNKQSD-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001731524112 1427512073 /nfs/dbraw/zinc/51/20/73/1427512073.db2.gz CPTOFBIELLSIRQ-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001731536198 1427533434 /nfs/dbraw/zinc/53/34/34/1427533434.db2.gz MCUPVJJSKXHXLZ-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001731782160 1427906548 /nfs/dbraw/zinc/90/65/48/1427906548.db2.gz FNSNUGGAZKIRGJ-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](CCCC1CCC1)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001731807342 1427980940 /nfs/dbraw/zinc/98/09/40/1427980940.db2.gz RYDMETDQJJRNJY-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731842094 1428063739 /nfs/dbraw/zinc/06/37/39/1428063739.db2.gz NYDLVHZEXIRAOS-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP CCC[N@@H+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001731865501 1428112484 /nfs/dbraw/zinc/11/24/84/1428112484.db2.gz ABPAGVXQQFWYJT-RGFVMQALSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001731972626 1428189832 /nfs/dbraw/zinc/18/98/32/1428189832.db2.gz VFYOZKXONLMMHW-KRWDZBQOSA-N 2 0 341.499 3.291 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001733602651 1429809427 /nfs/dbraw/zinc/80/94/27/1429809427.db2.gz ZSCUOZDSHGGRSS-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001733728527 1429958087 /nfs/dbraw/zinc/95/80/87/1429958087.db2.gz ZSEWWVUSSBMBMT-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877578 1437704585 /nfs/dbraw/zinc/70/45/85/1437704585.db2.gz CPRWKCILWPURQL-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CC1(C)C[N@H+](CC2CCC2)CC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001733880126 1437706543 /nfs/dbraw/zinc/70/65/43/1437706543.db2.gz XHPABKYLKADLAZ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001734054488 1437845167 /nfs/dbraw/zinc/84/51/67/1437845167.db2.gz TVMYIJMPIGPJGN-QGZVFWFLSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001734128681 1437906341 /nfs/dbraw/zinc/90/63/41/1437906341.db2.gz NTZRKKPEWMUMAH-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CCC1CCCCCC1 ZINC001734327690 1438052619 /nfs/dbraw/zinc/05/26/19/1438052619.db2.gz CGOAOJCGUUBXIL-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001734356069 1438073351 /nfs/dbraw/zinc/07/33/51/1438073351.db2.gz JGCDAORZBDMDJP-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]Cc1ccccc1)NC(=O)CCC[NH+]1CCCC1 ZINC001734575489 1438168882 /nfs/dbraw/zinc/16/88/82/1438168882.db2.gz IQTGJSJNRYBVEC-IBGZPJMESA-N 2 0 345.531 3.183 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCCC1 ZINC001752157422 1440147570 /nfs/dbraw/zinc/14/75/70/1440147570.db2.gz QBFNWTIHDLKLPD-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001752181934 1440151263 /nfs/dbraw/zinc/15/12/63/1440151263.db2.gz PYBAIPLYFFDZSU-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527658 1440193450 /nfs/dbraw/zinc/19/34/50/1440193450.db2.gz LVIGHMQNHHYCQR-RBUKOAKNSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1cccc2ccccc21 ZINC001752661436 1440198518 /nfs/dbraw/zinc/19/85/18/1440198518.db2.gz PGINQLNYWGYVIO-SZMVWBNQSA-N 2 0 339.483 3.089 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001752683147 1440199887 /nfs/dbraw/zinc/19/98/87/1440199887.db2.gz UWYLOOKWPYFURH-NSISKUIASA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752826993 1440223957 /nfs/dbraw/zinc/22/39/57/1440223957.db2.gz IGDJXHBJGSSDSL-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001752828238 1440224571 /nfs/dbraw/zinc/22/45/71/1440224571.db2.gz SQCXYGLEPITDKR-SBUVDCAVSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001752828802 1440224871 /nfs/dbraw/zinc/22/48/71/1440224871.db2.gz ZNZUQJPOUSUQKD-LJQANCHMSA-N 2 0 345.531 3.175 20 0 EGADRP CCCC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001752854738 1440234631 /nfs/dbraw/zinc/23/46/31/1440234631.db2.gz UIOMXSCXWZURDV-MHJFOBGBSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001752879792 1440238728 /nfs/dbraw/zinc/23/87/28/1440238728.db2.gz NGSSRIMXWJTNHZ-INIZCTEOSA-N 2 0 345.531 3.063 20 0 EGADRP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCC(C)(C)CC1 ZINC001752885338 1440239800 /nfs/dbraw/zinc/23/98/00/1440239800.db2.gz TVHJWVRZYUSQRQ-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752900664 1440242780 /nfs/dbraw/zinc/24/27/80/1440242780.db2.gz JZADCCNWCGKVRO-UHMOSQCASA-N 2 0 341.515 3.040 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001752920465 1440248441 /nfs/dbraw/zinc/24/84/41/1440248441.db2.gz BSCQJHOIXMEDSA-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001752976214 1440256059 /nfs/dbraw/zinc/25/60/59/1440256059.db2.gz LCGYANFUFBUWRM-UXHICEINSA-N 2 0 345.531 3.108 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752978189 1440256557 /nfs/dbraw/zinc/25/65/57/1440256557.db2.gz ZRRVPGZMLFOGQY-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC1CCCCC1 ZINC001753091284 1440299395 /nfs/dbraw/zinc/29/93/95/1440299395.db2.gz PMMCOYIFBMTUBY-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1cccc(C)c1 ZINC001753115614 1440311047 /nfs/dbraw/zinc/31/10/47/1440311047.db2.gz GESOTHJSEWPUEI-AZUAARDMSA-N 2 0 345.531 3.369 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001753119787 1440313136 /nfs/dbraw/zinc/31/31/36/1440313136.db2.gz QJIJYFFFRXWIKQ-SFHVURJKSA-N 2 0 349.544 3.095 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001753119786 1440313152 /nfs/dbraw/zinc/31/31/52/1440313152.db2.gz QJIJYFFFRXWIKQ-GOSISDBHSA-N 2 0 349.544 3.095 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CCCCC1 ZINC001753143455 1440322942 /nfs/dbraw/zinc/32/29/42/1440322942.db2.gz SLKLFJZWSNKAML-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCC1CCCC1 ZINC001753148959 1440326464 /nfs/dbraw/zinc/32/64/64/1440326464.db2.gz SSHHOQGGDAWMPA-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001753156188 1440331120 /nfs/dbraw/zinc/33/11/20/1440331120.db2.gz NZDYGPPTRVIUMH-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP CN(CC[NH2+]CCC1CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001753265909 1440344786 /nfs/dbraw/zinc/34/47/86/1440344786.db2.gz TUFKHEXOQJYZHM-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001753329258 1440368154 /nfs/dbraw/zinc/36/81/54/1440368154.db2.gz XUJPBWWOBGNRBO-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753358803 1440381585 /nfs/dbraw/zinc/38/15/85/1440381585.db2.gz BOWGZZNQRNIUKN-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CC/C=C\CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001753364021 1440384116 /nfs/dbraw/zinc/38/41/16/1440384116.db2.gz MEUNRXDQZZEELM-PXDRNWIDSA-N 2 0 349.563 3.388 20 0 EGADRP C[N@H+](CCC1CCCC1)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001753366356 1440385502 /nfs/dbraw/zinc/38/55/02/1440385502.db2.gz XKOWJVQWCSLMRS-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CC1CCC1)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001753367355 1440386238 /nfs/dbraw/zinc/38/62/38/1440386238.db2.gz HNMZNFXCYDUONP-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC/C=C/CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001753506903 1440424835 /nfs/dbraw/zinc/42/48/35/1440424835.db2.gz GLEYLVUKNGHIBS-ZBKUBXTQSA-N 2 0 335.536 3.092 20 0 EGADRP CC[C@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC001753508210 1440425037 /nfs/dbraw/zinc/42/50/37/1440425037.db2.gz ZXSJEUJFUYUSOS-SFHVURJKSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CCCC3)C2)CC[N@@H+]1C ZINC001753554347 1440435603 /nfs/dbraw/zinc/43/56/03/1440435603.db2.gz XSRYHHVYGWMRQD-SXLOBPIMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001753560816 1440436886 /nfs/dbraw/zinc/43/68/86/1440436886.db2.gz GCHHWAYSVRMHSS-RTBURBONSA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753595027 1440444301 /nfs/dbraw/zinc/44/43/01/1440444301.db2.gz QORAILYYNNZJSX-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001753671127 1440462088 /nfs/dbraw/zinc/46/20/88/1440462088.db2.gz RLXSPUPJYYGVSQ-XFHJGTJQSA-N 2 0 335.536 3.236 20 0 EGADRP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001753675206 1440463237 /nfs/dbraw/zinc/46/32/37/1440463237.db2.gz VVIMBRNYVMPZHS-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753709518 1440470222 /nfs/dbraw/zinc/47/02/22/1440470222.db2.gz ZXRGDGSNBYJSGK-SCTDSRPQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753718559 1440472422 /nfs/dbraw/zinc/47/24/22/1440472422.db2.gz MJGFGKVFQXGEOK-HNNXBMFYSA-N 2 0 345.512 3.060 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001753798259 1440490241 /nfs/dbraw/zinc/49/02/41/1440490241.db2.gz WJYAJVXIOWDEGO-ICSRJNTNSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001753798039 1440490304 /nfs/dbraw/zinc/49/03/04/1440490304.db2.gz QPECUAKCAWNNAF-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCCC1CCC1 ZINC001753811950 1440492919 /nfs/dbraw/zinc/49/29/19/1440492919.db2.gz BWHPMBRRIKSENG-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753816582 1440494100 /nfs/dbraw/zinc/49/41/00/1440494100.db2.gz RVSQPUJXTUZPSQ-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001753835421 1440500894 /nfs/dbraw/zinc/50/08/94/1440500894.db2.gz RXUDTJBMLKSVKO-LJQANCHMSA-N 2 0 344.503 3.423 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(CC)cc1 ZINC001753854305 1440508203 /nfs/dbraw/zinc/50/82/03/1440508203.db2.gz FYTXESVTUYOTTJ-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754071511 1440538183 /nfs/dbraw/zinc/53/81/83/1440538183.db2.gz DHLOJJBEWWNVID-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(NC/C=C/C[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754180363 1440548110 /nfs/dbraw/zinc/54/81/10/1440548110.db2.gz AGZJTMMYKYCOKR-UVEXCMSLSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001754205706 1440550565 /nfs/dbraw/zinc/55/05/65/1440550565.db2.gz AJXDJXASLYNWNE-DDKKJVIOSA-N 2 0 349.906 3.149 20 0 EGADRP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001754310620 1440573117 /nfs/dbraw/zinc/57/31/17/1440573117.db2.gz JKTSPTTUESZULZ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001754344996 1440589592 /nfs/dbraw/zinc/58/95/92/1440589592.db2.gz KGRIRAJPAVWBGU-LPHOPBHVSA-N 2 0 342.487 3.177 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754371038 1440592657 /nfs/dbraw/zinc/59/26/57/1440592657.db2.gz VOKRNMKPKIBDNC-QUCCMNQESA-N 2 0 345.531 3.367 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001754495155 1440611808 /nfs/dbraw/zinc/61/18/08/1440611808.db2.gz GITUGYVWIVNRGC-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1)c1cccc(F)c1 ZINC001754536395 1440624692 /nfs/dbraw/zinc/62/46/92/1440624692.db2.gz YRFOBDAWWWNKPN-INIZCTEOSA-N 2 0 347.478 3.001 20 0 EGADRP CCCCCC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001754560634 1440633564 /nfs/dbraw/zinc/63/35/64/1440633564.db2.gz SYFAVLPWTVVPGK-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001754619533 1440645117 /nfs/dbraw/zinc/64/51/17/1440645117.db2.gz AMUNIKQXWROZSD-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001754629419 1440647351 /nfs/dbraw/zinc/64/73/51/1440647351.db2.gz BVKQFTAGDDEHDN-MRXNPFEDSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001754630339 1440647615 /nfs/dbraw/zinc/64/76/15/1440647615.db2.gz XPXLJMFCECUPSX-IBGZPJMESA-N 2 0 345.531 3.449 20 0 EGADRP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754696044 1440667003 /nfs/dbraw/zinc/66/70/03/1440667003.db2.gz VRNWQWIXPPXVFL-WIYYLYMNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734488 1440681491 /nfs/dbraw/zinc/68/14/91/1440681491.db2.gz WOQXMKQRYBCUQQ-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC001754865492 1440702771 /nfs/dbraw/zinc/70/27/71/1440702771.db2.gz MTKHGPOCEHKVIP-CEXWTWQISA-N 2 0 349.563 3.362 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001754869846 1440704532 /nfs/dbraw/zinc/70/45/32/1440704532.db2.gz QPTQOXQBRKWDGD-IPMKNSEASA-N 2 0 337.552 3.362 20 0 EGADRP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001754952113 1440715259 /nfs/dbraw/zinc/71/52/59/1440715259.db2.gz RKQPWQXXHWLINV-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(C)c2)CC1 ZINC001754958027 1440716885 /nfs/dbraw/zinc/71/68/85/1440716885.db2.gz ZGZQHAILLXQNCF-KESTWPANSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)CCC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001754963016 1440717965 /nfs/dbraw/zinc/71/79/65/1440717965.db2.gz WHDKDLQCXHDHNH-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CCC2)C1 ZINC001754981940 1440721537 /nfs/dbraw/zinc/72/15/37/1440721537.db2.gz MIFIPCIECZGMMI-FAFZWHIHSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754988238 1440723493 /nfs/dbraw/zinc/72/34/93/1440723493.db2.gz WGXUFTDLJCVNBV-RBUKOAKNSA-N 2 0 347.547 3.212 20 0 EGADRP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001755070174 1440746305 /nfs/dbraw/zinc/74/63/05/1440746305.db2.gz VZEOXDPOJQKIIJ-OALUTQOASA-N 2 0 347.547 3.164 20 0 EGADRP CCCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001755075338 1440748255 /nfs/dbraw/zinc/74/82/55/1440748255.db2.gz DTMHMQPTXUSTHS-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)CCC[NH+](C)C)cc2C1 ZINC001755102559 1440753324 /nfs/dbraw/zinc/75/33/24/1440753324.db2.gz YJVIFKIQCLDAQP-UHFFFAOYSA-N 2 0 331.504 3.006 20 0 EGADRP CCCc1ccc(C[NH2+]C2(C)CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001755131300 1440757180 /nfs/dbraw/zinc/75/71/80/1440757180.db2.gz HINWLRZJANEEAP-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755130973 1440757202 /nfs/dbraw/zinc/75/72/02/1440757202.db2.gz YGUIYYAVCMEBQT-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)CC1(C)C ZINC001755141868 1440760875 /nfs/dbraw/zinc/76/08/75/1440760875.db2.gz KOBSECDDPJFXLE-IEBWSBKVSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001755195171 1440776587 /nfs/dbraw/zinc/77/65/87/1440776587.db2.gz KQTSJVYHTBVTKK-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001755209095 1440782851 /nfs/dbraw/zinc/78/28/51/1440782851.db2.gz IJPIVBCDHGXMJT-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001755239729 1440789329 /nfs/dbraw/zinc/78/93/29/1440789329.db2.gz GNZYEKRGOVJUAN-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755242083 1440789613 /nfs/dbraw/zinc/78/96/13/1440789613.db2.gz KTQQIJVQLWILJL-ZJBFNYKTSA-N 2 0 342.487 3.486 20 0 EGADRP CN(C(=O)CCCC[NH+](C)C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC001755276797 1440799402 /nfs/dbraw/zinc/79/94/02/1440799402.db2.gz WHEWBFOYVWNAIE-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[NH2+]C1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755278563 1440799937 /nfs/dbraw/zinc/79/99/37/1440799937.db2.gz HKOOIVWXGQSBGR-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001755281630 1440800805 /nfs/dbraw/zinc/80/08/05/1440800805.db2.gz PMPXLXGWKUNAQK-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001755300526 1440808035 /nfs/dbraw/zinc/80/80/35/1440808035.db2.gz RQAQDRHCLRYOOE-PXNSSMCTSA-N 2 0 345.531 3.058 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001755312930 1440814290 /nfs/dbraw/zinc/81/42/90/1440814290.db2.gz JUXNLCTZTMRBTE-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC001755355946 1440829453 /nfs/dbraw/zinc/82/94/53/1440829453.db2.gz BFOATVGJUJYRPF-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001755359551 1440831138 /nfs/dbraw/zinc/83/11/38/1440831138.db2.gz FIPRLZUNHRPFLQ-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001755366050 1440834321 /nfs/dbraw/zinc/83/43/21/1440834321.db2.gz JJPGZNKYJPPOGE-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001755367536 1440835334 /nfs/dbraw/zinc/83/53/34/1440835334.db2.gz HXYZNBAPJAXGFO-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001755368833 1440836360 /nfs/dbraw/zinc/83/63/60/1440836360.db2.gz WJIDWTYJBCYKHE-CTNGQTDRSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC001755416564 1440849183 /nfs/dbraw/zinc/84/91/83/1440849183.db2.gz UTJQBRUYYNXFQG-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755519630 1440864774 /nfs/dbraw/zinc/86/47/74/1440864774.db2.gz BHRQAPBQPUZDDQ-OALUTQOASA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H](C(=O)N1CCC([N@H+](C)CCC(C)C)CC1)[NH+](CC)CC ZINC001755533114 1440868192 /nfs/dbraw/zinc/86/81/92/1440868192.db2.gz JPLDJVDQLZRLAQ-GOSISDBHSA-N 2 0 325.541 3.076 20 0 EGADRP C[C@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001755666857 1440893623 /nfs/dbraw/zinc/89/36/23/1440893623.db2.gz JXNNNVNYUWGQFZ-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001755722007 1440907704 /nfs/dbraw/zinc/90/77/04/1440907704.db2.gz DNQKLVXKDTXWDH-SJORKVTESA-N 2 0 325.541 3.122 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001755724725 1440908940 /nfs/dbraw/zinc/90/89/40/1440908940.db2.gz XHIKCFIQKMCXEF-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C)c1 ZINC001755812507 1440921051 /nfs/dbraw/zinc/92/10/51/1440921051.db2.gz QWUZXPPHYQYVPH-IBGZPJMESA-N 2 0 347.547 3.485 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)C(C)(C)C ZINC001755831413 1440928922 /nfs/dbraw/zinc/92/89/22/1440928922.db2.gz URDHYHWRLSNXLS-IBGZPJMESA-N 2 0 345.531 3.136 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001755846130 1440933342 /nfs/dbraw/zinc/93/33/42/1440933342.db2.gz NLVVTVBUWPJUKL-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001755851287 1440935018 /nfs/dbraw/zinc/93/50/18/1440935018.db2.gz UYVDHTDUKOWJJS-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001755862674 1440937029 /nfs/dbraw/zinc/93/70/29/1440937029.db2.gz UBWLVOILBNSRPD-RFEKHPBVSA-N 2 0 335.536 3.185 20 0 EGADRP CCCCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755899344 1440943414 /nfs/dbraw/zinc/94/34/14/1440943414.db2.gz MBLURTHPQKBASO-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824948316 947006242 /nfs/dbraw/zinc/00/62/42/947006242.db2.gz TXMFAMJPBFAHSJ-HZPDHXFCSA-N 2 0 342.491 3.029 20 0 EGADRP C[N@@H+](Cc1ccc(Br)cc1F)CC1CC[NH+](C)CC1 ZINC000063121431 214744503 /nfs/dbraw/zinc/74/45/03/214744503.db2.gz BUNZAWFPJIDXAT-UHFFFAOYSA-N 2 0 329.257 3.362 20 0 EGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000158518260 529632612 /nfs/dbraw/zinc/63/26/12/529632612.db2.gz APDGQHFYWCLRAN-IBGZPJMESA-N 2 0 342.462 3.213 20 0 EGADRP CN(c1ccccc1C[NH2+]CC[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000181257956 530037193 /nfs/dbraw/zinc/03/71/93/530037193.db2.gz RAJMKILINZMEGY-FQEVSTJZSA-N 2 0 345.531 3.266 20 0 EGADRP Cc1cc(N2CC[NH+](CC3CCOCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000178233141 232114941 /nfs/dbraw/zinc/11/49/41/232114941.db2.gz KIUPBIKPOGYZPP-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091266671 282947143 /nfs/dbraw/zinc/94/71/43/282947143.db2.gz FRKYFDZBUVKYSA-HXUWFJFHSA-N 2 0 333.495 3.284 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)ccn1 ZINC000183408485 235055365 /nfs/dbraw/zinc/05/53/65/235055365.db2.gz LHIJPFNKKQHDGY-LJQANCHMSA-N 2 0 343.446 3.328 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354421492 283209098 /nfs/dbraw/zinc/20/90/98/283209098.db2.gz FZKPVUUZAQOXBQ-ROUUACIJSA-N 2 0 325.541 3.220 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1N(C)C ZINC000090522889 299273480 /nfs/dbraw/zinc/27/34/80/299273480.db2.gz QIJJKSVPXKLLCC-NDXORKPFSA-N 2 0 345.531 3.171 20 0 EGADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342417229 296005678 /nfs/dbraw/zinc/00/56/78/296005678.db2.gz MPHBICXMTJIZFB-HNNXBMFYSA-N 2 0 347.890 3.396 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1csc(Cl)c1 ZINC000191267314 239002029 /nfs/dbraw/zinc/00/20/29/239002029.db2.gz GQBWUALWVVZIJU-ZDUSSCGKSA-N 2 0 329.941 3.326 20 0 EGADRP C[C@H]([NH3+])CCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000193303384 240098367 /nfs/dbraw/zinc/09/83/67/240098367.db2.gz PUVPVBMIBKHRNU-INIZCTEOSA-N 2 0 331.504 3.195 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246087900 241594617 /nfs/dbraw/zinc/59/46/17/241594617.db2.gz GIFYULWQYOKESJ-VAMGGRTRSA-N 2 0 346.515 3.310 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000236876742 242392794 /nfs/dbraw/zinc/39/27/94/242392794.db2.gz MKNGJKAPSFMMOJ-OXJNMPFZSA-N 2 0 339.483 3.091 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000238159746 242943229 /nfs/dbraw/zinc/94/32/29/242943229.db2.gz VCKLAOOQLMXFOM-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246392412 243245596 /nfs/dbraw/zinc/24/55/96/243245596.db2.gz PLOWSPODZNVAHX-WSTZPKSXSA-N 2 0 343.515 3.190 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000262640441 245086425 /nfs/dbraw/zinc/08/64/25/245086425.db2.gz IYACNFMAWZUBFP-HXUWFJFHSA-N 2 0 339.483 3.151 20 0 EGADRP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000090936861 217955980 /nfs/dbraw/zinc/95/59/80/217955980.db2.gz PJILMUQIUMOISI-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(OC(F)F)c1 ZINC000093088767 218192709 /nfs/dbraw/zinc/19/27/09/218192709.db2.gz AGSYIDASDHTLCV-UHFFFAOYSA-N 2 0 328.403 3.070 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000154201052 533184590 /nfs/dbraw/zinc/18/45/90/533184590.db2.gz HAQUEIXPUHVVKD-DSKINZAPSA-N 2 0 345.531 3.295 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000246885332 285322223 /nfs/dbraw/zinc/32/22/23/285322223.db2.gz DIJBRPYNQOVSRB-QYZOEREBSA-N 2 0 347.547 3.050 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)CCO2 ZINC000181411953 533338829 /nfs/dbraw/zinc/33/88/29/533338829.db2.gz KGDDLVGSPBJYSN-YSGRDPCXSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000237554317 141007777 /nfs/dbraw/zinc/00/77/77/141007777.db2.gz WHQJYYVGKBNEDY-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cc(F)ccc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000337871693 141069294 /nfs/dbraw/zinc/06/92/94/141069294.db2.gz OAMDMZVHBJDYKN-UHFFFAOYSA-N 2 0 341.474 3.042 20 0 EGADRP C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338045919 141080302 /nfs/dbraw/zinc/08/03/02/141080302.db2.gz SNDBCQAIDBKPIP-MDMSPXHWSA-N 2 0 337.552 3.120 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000338055622 141083563 /nfs/dbraw/zinc/08/35/63/141083563.db2.gz UPVDUBWNHKTKMM-SFHVURJKSA-N 2 0 345.531 3.380 20 0 EGADRP OC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000342812750 141150459 /nfs/dbraw/zinc/15/04/59/141150459.db2.gz MTHGDYKETPTXRH-HSALFYBXSA-N 2 0 328.500 3.182 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000346274423 141189899 /nfs/dbraw/zinc/18/98/99/141189899.db2.gz GJHKWSRAFLHNOT-RBUKOAKNSA-N 2 0 343.515 3.417 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1(C(=O)OC)CCC1 ZINC000353343018 141291164 /nfs/dbraw/zinc/29/11/64/141291164.db2.gz GBCLGXHQSJWOQJ-LJQANCHMSA-N 2 0 344.499 3.494 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354678655 141319808 /nfs/dbraw/zinc/31/98/08/141319808.db2.gz UUYYXAXKVKSTJC-FHWLQOOXSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178714794 144075785 /nfs/dbraw/zinc/07/57/85/144075785.db2.gz CZLFXDYLKAPAIW-GJZGRUSLSA-N 2 0 330.476 3.081 20 0 EGADRP Cc1ccc(-c2ncc(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)s2)o1 ZINC000344637465 144202847 /nfs/dbraw/zinc/20/28/47/144202847.db2.gz HFSQVEYXHCEEBZ-UHFFFAOYSA-N 2 0 349.500 3.036 20 0 EGADRP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000344821536 144228110 /nfs/dbraw/zinc/22/81/10/144228110.db2.gz FNZIYSQDJDCLAN-UHFFFAOYSA-N 2 0 333.520 3.331 20 0 EGADRP C[N@H+](C[C@H](O)CN1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440952 144265121 /nfs/dbraw/zinc/26/51/21/144265121.db2.gz JCSMMQWMHTYMEO-FQEVSTJZSA-N 2 0 336.479 3.384 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480524 144267017 /nfs/dbraw/zinc/26/70/17/144267017.db2.gz VNYRNOARLZLTAT-UOVPBQLFSA-N 2 0 329.488 3.115 20 0 EGADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)o1 ZINC000115617016 152022477 /nfs/dbraw/zinc/02/24/77/152022477.db2.gz GVFSINCLAYBTOT-UHFFFAOYSA-N 2 0 346.446 3.188 20 0 EGADRP CSc1ccc([C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)[NH+](C)C)cc1 ZINC000341549112 155347987 /nfs/dbraw/zinc/34/79/87/155347987.db2.gz DNCNYVCHYVODCS-RKVPGOIHSA-N 2 0 349.544 3.000 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000122221058 152397227 /nfs/dbraw/zinc/39/72/27/152397227.db2.gz ULNUAAQWQRXNAJ-UHFFFAOYSA-N 2 0 339.911 3.305 20 0 EGADRP CC[C@@](C)([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1nc(C)cs1 ZINC000191579737 153207902 /nfs/dbraw/zinc/20/79/02/153207902.db2.gz XLVXMGSVFPKLHD-GOSISDBHSA-N 2 0 338.565 3.082 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc[nH+]1 ZINC000194088100 153319884 /nfs/dbraw/zinc/31/98/84/153319884.db2.gz WBMNZFWPHWZWRA-HSALFYBXSA-N 2 0 341.499 3.235 20 0 EGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000195293498 153392352 /nfs/dbraw/zinc/39/23/52/153392352.db2.gz HLCLWBMDMDUVPP-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(-c2ccnn2C)c1 ZINC000262053985 153772165 /nfs/dbraw/zinc/77/21/65/153772165.db2.gz ZWZGHKPLMVJVRG-HXUWFJFHSA-N 2 0 338.499 3.360 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(Br)cs1 ZINC000300270211 154023173 /nfs/dbraw/zinc/02/31/73/154023173.db2.gz HTEURVPQKRKOST-WCFLWFBJSA-N 2 0 345.306 3.024 20 0 EGADRP c1cncc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)c1 ZINC000337339375 154292229 /nfs/dbraw/zinc/29/22/29/154292229.db2.gz ORJNNEVKDLEEAR-OPYAIIAOSA-N 2 0 343.515 3.198 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3Cc4ccccc43)CC2)C[C@@H](C)O1 ZINC000346851040 156164510 /nfs/dbraw/zinc/16/45/10/156164510.db2.gz QGDDGLSPAIODDP-MBOZVWFJSA-N 2 0 328.500 3.148 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cnccc2OC)CC1)CC1CC1 ZINC000347018680 156250657 /nfs/dbraw/zinc/25/06/57/156250657.db2.gz VQRGGMNULJZCJM-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C(C)C)cc1 ZINC000348964397 156302897 /nfs/dbraw/zinc/30/28/97/156302897.db2.gz QPZTWGSIMYCSRI-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000349056785 156336648 /nfs/dbraw/zinc/33/66/48/156336648.db2.gz LVWXJRQXXYYXIH-WOJBJXKFSA-N 2 0 343.515 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000349079655 156345523 /nfs/dbraw/zinc/34/55/23/156345523.db2.gz JNIJFWNPFHJZTG-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c1)O[C@@H](C)C2 ZINC000349131021 156363507 /nfs/dbraw/zinc/36/35/07/156363507.db2.gz PDJCVHDARDTVKV-RDJZCZTQSA-N 2 0 344.499 3.182 20 0 EGADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)cc1 ZINC000362085818 157016341 /nfs/dbraw/zinc/01/63/41/157016341.db2.gz IYDIENXQRBDUOK-LJQANCHMSA-N 2 0 338.455 3.425 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC1 ZINC000372528751 157350091 /nfs/dbraw/zinc/35/00/91/157350091.db2.gz AZRHGPHONXVURI-CVEARBPZSA-N 2 0 348.491 3.020 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])CC(C)C ZINC000354068668 165958553 /nfs/dbraw/zinc/95/85/53/165958553.db2.gz QXFBRGNTNKOXDE-FDIDQYAWSA-N 2 0 337.552 3.013 20 0 EGADRP COCCOc1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000093688396 162023437 /nfs/dbraw/zinc/02/34/37/162023437.db2.gz CRMYMDANEPGPSS-UHFFFAOYSA-N 2 0 334.504 3.266 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126675411 162310785 /nfs/dbraw/zinc/31/07/85/162310785.db2.gz HZIFYPGEBVHOQS-PXNSSMCTSA-N 2 0 345.531 3.249 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000130488188 162371181 /nfs/dbraw/zinc/37/11/81/162371181.db2.gz WALHRJXKPBDOBU-APWZRJJASA-N 2 0 331.504 3.443 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1F ZINC000248462466 163007894 /nfs/dbraw/zinc/00/78/94/163007894.db2.gz YIRFWSTWFKVHPS-KBXCAEBGSA-N 2 0 346.421 3.382 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cncc(F)c1 ZINC000248462206 163008195 /nfs/dbraw/zinc/00/81/95/163008195.db2.gz YDJAKQNWKLCFST-QRWLVFNGSA-N 2 0 343.446 3.028 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@@H+]1C ZINC000248926787 163047111 /nfs/dbraw/zinc/04/71/11/163047111.db2.gz GAQWAEWRBQVARI-XOKHGSTOSA-N 2 0 343.437 3.380 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccnn2C)c1 ZINC000338440650 163227833 /nfs/dbraw/zinc/22/78/33/163227833.db2.gz PRJROUUHESHUOY-QZTJIDSGSA-N 2 0 326.488 3.358 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCC2 ZINC000339067397 163452253 /nfs/dbraw/zinc/45/22/53/163452253.db2.gz HGTIAAPSPQBSMX-OAQYLSRUSA-N 2 0 329.532 3.236 20 0 EGADRP CC[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+](CC)CC ZINC000342107828 163787721 /nfs/dbraw/zinc/78/77/21/163787721.db2.gz RRTPJCQMUYDHRY-LJQANCHMSA-N 2 0 331.504 3.382 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccc1-n1ccnn1 ZINC000353452577 287034638 /nfs/dbraw/zinc/03/46/38/287034638.db2.gz CENYBGBNQJPXAS-DLBZAZTESA-N 2 0 327.476 3.040 20 0 EGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000343996851 164079571 /nfs/dbraw/zinc/07/95/71/164079571.db2.gz UCFSWYQPWSJHIZ-CQSZACIVSA-N 2 0 341.446 3.326 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C1(C)C ZINC000344082119 164099505 /nfs/dbraw/zinc/09/95/05/164099505.db2.gz YWGLAOXXMNUDPU-RBUKOAKNSA-N 2 0 334.504 3.310 20 0 EGADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000344141001 164113378 /nfs/dbraw/zinc/11/33/78/164113378.db2.gz ZFTCBSZIJSAAJL-IRXDYDNUSA-N 2 0 327.472 3.304 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000345843985 164277227 /nfs/dbraw/zinc/27/72/27/164277227.db2.gz YJSOUVDESMUXRD-GOSISDBHSA-N 2 0 340.556 3.011 20 0 EGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000345936679 164299349 /nfs/dbraw/zinc/29/93/49/164299349.db2.gz ZBUWWENBPOPVAU-ZWKOTPCHSA-N 2 0 343.515 3.227 20 0 EGADRP c1ccc(C[NH+]2CCC(NC3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000346070636 164330237 /nfs/dbraw/zinc/33/02/37/164330237.db2.gz QKJJNWDPGKYVMQ-UHFFFAOYSA-N 2 0 327.516 3.258 20 0 EGADRP c1cn(CCCn2c3ccccc3nc2NCc2ccsc2)cn1 ZINC000346347660 164372532 /nfs/dbraw/zinc/37/25/32/164372532.db2.gz NPLZBRZVYTWBDW-UHFFFAOYSA-N 2 0 337.452 3.419 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)C(C)C ZINC000348121847 164641621 /nfs/dbraw/zinc/64/16/21/164641621.db2.gz JKNMOWVQKLLIIV-KRWDZBQOSA-N 2 0 329.492 3.427 20 0 EGADRP CCc1ncc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000350220470 165019648 /nfs/dbraw/zinc/01/96/48/165019648.db2.gz FQVFUOQODNLLAU-UHFFFAOYSA-N 2 0 330.501 3.449 20 0 EGADRP c1[nH]nc2c1cccc2C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000355338769 166168762 /nfs/dbraw/zinc/16/87/62/166168762.db2.gz TYUIMOSNVJPEBL-WOJBJXKFSA-N 2 0 332.451 3.127 20 0 EGADRP c1[nH]nc2c1cccc2C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000355338767 166169374 /nfs/dbraw/zinc/16/93/74/166169374.db2.gz TYUIMOSNVJPEBL-BGYRXZFFSA-N 2 0 332.451 3.127 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000355411764 166189540 /nfs/dbraw/zinc/18/95/40/166189540.db2.gz QKBMRZFVGFFCKA-CALCHBBNSA-N 2 0 329.488 3.136 20 0 EGADRP Cc1[nH+]ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1Cl ZINC000355677767 166281962 /nfs/dbraw/zinc/28/19/62/166281962.db2.gz UVKNBTDRAAZWIP-QGZVFWFLSA-N 2 0 345.874 3.034 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000355760805 166300506 /nfs/dbraw/zinc/30/05/06/166300506.db2.gz CPJXYXRVPMICAE-UHFFFAOYSA-N 2 0 340.515 3.370 20 0 EGADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000357094273 166583265 /nfs/dbraw/zinc/58/32/65/166583265.db2.gz ZGCSUVSIADDFEO-QGZVFWFLSA-N 2 0 341.455 3.172 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CNc2cc[nH+]c(C)c2)cc1OC ZINC000357312402 166644391 /nfs/dbraw/zinc/64/43/91/166644391.db2.gz IZSDZWIXJNJOFA-UHFFFAOYSA-N 2 0 343.471 3.153 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC1CC[NH2+]CC1 ZINC000359224322 167100133 /nfs/dbraw/zinc/10/01/33/167100133.db2.gz SCWIUTLNDWRDAI-UHFFFAOYSA-N 2 0 326.488 3.331 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359322279 167125124 /nfs/dbraw/zinc/12/51/24/167125124.db2.gz MORFQIJZKCZQLM-QAPCUYQASA-N 2 0 349.475 3.177 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000359474230 167166763 /nfs/dbraw/zinc/16/67/63/167166763.db2.gz RQERUNPQNFQPIQ-AOIWGVFYSA-N 2 0 348.535 3.014 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000359795204 167234613 /nfs/dbraw/zinc/23/46/13/167234613.db2.gz MFFHAHINVLGFQI-OAHLLOKOSA-N 2 0 345.487 3.345 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000359890705 167259525 /nfs/dbraw/zinc/25/95/25/167259525.db2.gz VUQAOOFWSFIOJB-DFQSSKMNSA-N 2 0 345.531 3.134 20 0 EGADRP CC[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000360250237 167282363 /nfs/dbraw/zinc/28/23/63/167282363.db2.gz OHSQGAMJGJDUHZ-XJKSGUPXSA-N 2 0 331.287 3.491 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552314 167355739 /nfs/dbraw/zinc/35/57/39/167355739.db2.gz NTIKMTATAXJRJN-HTAPYJJXSA-N 2 0 349.478 3.366 20 0 EGADRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(-c2cccs2)n1 ZINC000364764494 167983391 /nfs/dbraw/zinc/98/33/91/167983391.db2.gz NMCASJVXDSWSSK-UHFFFAOYSA-N 2 0 330.501 3.113 20 0 EGADRP C[C@@H]1C[N@H+](Cc2csc3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367029284 168169690 /nfs/dbraw/zinc/16/96/90/168169690.db2.gz LMVFKBVVQPEUNG-APWZRJJASA-N 2 0 343.540 3.359 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)COC(C)C)CC2)cc1 ZINC000367067012 168175221 /nfs/dbraw/zinc/17/52/21/168175221.db2.gz PPRDQDMUKYVUOI-KRWDZBQOSA-N 2 0 334.504 3.310 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2cnc3n2CCCC3)s1 ZINC000367439816 168225670 /nfs/dbraw/zinc/22/56/70/168225670.db2.gz XIFRIUHVCJZTHA-LBPRGKRZSA-N 2 0 334.489 3.024 20 0 EGADRP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000367439947 168225832 /nfs/dbraw/zinc/22/58/32/168225832.db2.gz YMGTVWULOMTVDW-MRXNPFEDSA-N 3 0 342.487 3.011 20 0 EGADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000367552067 168241104 /nfs/dbraw/zinc/24/11/04/168241104.db2.gz MMVSJZZGSCBFME-ZSYZGHEHSA-N 2 0 342.527 3.285 20 0 EGADRP Cc1cc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000367600796 168248180 /nfs/dbraw/zinc/24/81/80/168248180.db2.gz ZWOCOZIZQFEECO-YSIASYRMSA-N 2 0 325.456 3.026 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357785478 287276567 /nfs/dbraw/zinc/27/65/67/287276567.db2.gz CQTPZOCTCNVBSI-UTKZUKDTSA-N 2 0 343.515 3.209 20 0 EGADRP COc1cccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000158628609 225057295 /nfs/dbraw/zinc/05/72/95/225057295.db2.gz LPXISEAIYGSXKK-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000677845486 549341552 /nfs/dbraw/zinc/34/15/52/549341552.db2.gz GQPUBHVRRAXQRV-APWZRJJASA-N 2 0 333.907 3.085 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000123583504 222300798 /nfs/dbraw/zinc/30/07/98/222300798.db2.gz VLLYODQVSWFXBS-OXQOHEQNSA-N 2 0 328.456 3.011 20 0 EGADRP Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123610652 222305169 /nfs/dbraw/zinc/30/51/69/222305169.db2.gz OMCJMIKJVBSPJD-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1Cl ZINC000171644860 227194345 /nfs/dbraw/zinc/19/43/45/227194345.db2.gz LBGZXOQLUOKMDY-HNNXBMFYSA-N 2 0 344.890 3.338 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634998 265333173 /nfs/dbraw/zinc/33/31/73/265333173.db2.gz JTWWSMOCCOTBPR-INIZCTEOSA-N 2 0 326.488 3.291 20 0 EGADRP c1cc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000193254480 266019775 /nfs/dbraw/zinc/01/97/75/266019775.db2.gz IFBJLIZHUHNIGO-IBGZPJMESA-N 2 0 328.500 3.362 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000195652370 266189299 /nfs/dbraw/zinc/18/92/99/266189299.db2.gz OVBRWUACVVRXGA-FGZHOGPDSA-N 2 0 338.495 3.393 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227133174 266199167 /nfs/dbraw/zinc/19/91/67/266199167.db2.gz VDIREGCTJOHDKT-HOTGVXAUSA-N 2 0 327.513 3.096 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C3(C[NH3+])CCCC3)c2)CC1 ZINC000236638128 266208808 /nfs/dbraw/zinc/20/88/08/266208808.db2.gz OHPQURZJYUMNFV-UHFFFAOYSA-N 2 0 343.515 3.054 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(C[NH3+])CCCC3)cc2)C1 ZINC000237673478 266241323 /nfs/dbraw/zinc/24/13/23/266241323.db2.gz NQDNLUATIYCCEI-KRWDZBQOSA-N 2 0 343.515 3.054 20 0 EGADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000268880378 266284328 /nfs/dbraw/zinc/28/43/28/266284328.db2.gz MQBDHJMQMFCIJP-SFTDATJTSA-N 2 0 348.531 3.227 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3OC)[C@@H](C)C1 ZINC000268880258 266285200 /nfs/dbraw/zinc/28/52/00/266285200.db2.gz HYOODXOECHCIQK-FFZOFVMBSA-N 2 0 346.515 3.409 20 0 EGADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269636979 266331466 /nfs/dbraw/zinc/33/14/66/266331466.db2.gz IZBGGMXXTJYEHY-LPHOPBHVSA-N 2 0 338.499 3.065 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000273230702 267002517 /nfs/dbraw/zinc/00/25/17/267002517.db2.gz WYXDOSHSLQNMFL-UHFFFAOYSA-N 2 0 336.907 3.411 20 0 EGADRP CCSCC[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000273634477 267072529 /nfs/dbraw/zinc/07/25/29/267072529.db2.gz ALMVQOKOLMLXEF-UHFFFAOYSA-N 2 0 336.545 3.400 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274726675 267277886 /nfs/dbraw/zinc/27/78/86/267277886.db2.gz ARZQADIGNORHDD-VRXWPRPYSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759387 267281817 /nfs/dbraw/zinc/28/18/17/267281817.db2.gz JOVKTCKBUBWXBR-DFQSSKMNSA-N 2 0 344.499 3.172 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1 ZINC000274840440 267295320 /nfs/dbraw/zinc/29/53/20/267295320.db2.gz VXNDKSDVIIMCBD-UHFFFAOYSA-N 2 0 342.483 3.144 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274900635 267304360 /nfs/dbraw/zinc/30/43/60/267304360.db2.gz LDSWFPSGEAUCBA-KFWWJZLASA-N 2 0 325.884 3.275 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ncc(Br)cc1F ZINC000275301988 267342870 /nfs/dbraw/zinc/34/28/70/267342870.db2.gz IAPWEXLBRNSMSB-LLVKDONJSA-N 2 0 344.272 3.366 20 0 EGADRP Clc1ccc(-n2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000278510048 268028158 /nfs/dbraw/zinc/02/81/58/268028158.db2.gz PQFXJZWCHRTLOO-UHFFFAOYSA-N 2 0 344.890 3.490 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278508213 268028336 /nfs/dbraw/zinc/02/83/36/268028336.db2.gz REJKRUFLZMEVEV-BSIFCXSSSA-N 2 0 342.458 3.359 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000358298273 275053666 /nfs/dbraw/zinc/05/36/66/275053666.db2.gz MFCVVZBFQWNBEB-GUDVDZBRSA-N 2 0 334.891 3.295 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110822538 275181686 /nfs/dbraw/zinc/18/16/86/275181686.db2.gz FVXGHXSGFXLPSJ-MLGOLLRUSA-N 2 0 325.294 3.236 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000183126424 275210514 /nfs/dbraw/zinc/21/05/14/275210514.db2.gz DDTGGCNYURTGLR-BDTNDASRSA-N 2 0 341.543 3.363 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284501651 275805618 /nfs/dbraw/zinc/80/56/18/275805618.db2.gz VRSINQVCGDKKLA-PGRDOPGGSA-N 2 0 343.559 3.179 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000285471631 275879387 /nfs/dbraw/zinc/87/93/87/275879387.db2.gz NVTOGKOVUJQMMF-NSCUHMNNSA-N 2 0 349.469 3.126 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000286871785 276052390 /nfs/dbraw/zinc/05/23/90/276052390.db2.gz HMUWPWVRGAFPDS-IRXDYDNUSA-N 2 0 342.405 3.351 20 0 EGADRP CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261731069 276061620 /nfs/dbraw/zinc/06/16/20/276061620.db2.gz KWHMWFUMVMEUOK-GSEOLPGOSA-N 2 0 343.515 3.188 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000286983927 276066705 /nfs/dbraw/zinc/06/67/05/276066705.db2.gz GTHWAKFZFHRDFH-XLIONFOSSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287283765 276104293 /nfs/dbraw/zinc/10/42/93/276104293.db2.gz BPDPXLNVYUWSAT-MRXNPFEDSA-N 2 0 327.476 3.038 20 0 EGADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287764489 276155137 /nfs/dbraw/zinc/15/51/37/276155137.db2.gz RDLYYPZCFLACSZ-IUODEOHRSA-N 2 0 327.350 3.044 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000343544713 276198690 /nfs/dbraw/zinc/19/86/90/276198690.db2.gz YMHWXSQGKLFDMF-MJGOQNOKSA-N 2 0 333.907 3.039 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253161 /nfs/dbraw/zinc/25/31/61/276253161.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 2 0 329.532 3.491 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)[C@@H](C)C1 ZINC000247929155 276316177 /nfs/dbraw/zinc/31/61/77/276316177.db2.gz BWMOKAVUDOWORQ-ORYQWCPZSA-N 2 0 346.515 3.409 20 0 EGADRP CSC1(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000289342573 276324977 /nfs/dbraw/zinc/32/49/77/276324977.db2.gz WIJLLSYMDDNYSV-UHFFFAOYSA-N 2 0 333.545 3.074 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000289354068 276326663 /nfs/dbraw/zinc/32/66/63/276326663.db2.gz XWQCPHQXJKFTQR-HZPDHXFCSA-N 2 0 334.529 3.281 20 0 EGADRP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353670938 276340126 /nfs/dbraw/zinc/34/01/26/276340126.db2.gz BRRNKEYHMFJILO-NSKBAKJYSA-N 2 0 346.515 3.213 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000166014109 276357903 /nfs/dbraw/zinc/35/79/03/276357903.db2.gz AKYIJCFAOKPKSG-AEFFLSMTSA-N 2 0 332.488 3.379 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292071440 276729434 /nfs/dbraw/zinc/72/94/34/276729434.db2.gz LCTUXHDFADVOHB-KRWDZBQOSA-N 2 0 347.528 3.015 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000247171578 277051541 /nfs/dbraw/zinc/05/15/41/277051541.db2.gz YOIPARPFXBPMRF-IBGZPJMESA-N 2 0 343.515 3.050 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1OC ZINC000344073371 278634281 /nfs/dbraw/zinc/63/42/81/278634281.db2.gz VNXMEWSOHKPXFO-WNRNVDISSA-N 2 0 326.525 3.059 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)CN1CC[NH+](C)CC1 ZINC000248635772 279350651 /nfs/dbraw/zinc/35/06/51/279350651.db2.gz KGNPBEYNOTZHDH-YZGWKJHDSA-N 2 0 329.532 3.042 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000121121943 279359241 /nfs/dbraw/zinc/35/92/41/279359241.db2.gz WYOHIUKYKHKZTR-OALUTQOASA-N 2 0 331.548 3.216 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC000170608590 279374583 /nfs/dbraw/zinc/37/45/83/279374583.db2.gz NCISLTXGLIKPMC-XYJFISCASA-N 2 0 349.494 3.186 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCOc3ccccc32)C[C@H](C)O1 ZINC000246926573 288161513 /nfs/dbraw/zinc/16/15/13/288161513.db2.gz GTNHGVUJQHAUSV-SCTDSRPQSA-N 2 0 332.488 3.379 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236684703 282072289 /nfs/dbraw/zinc/07/22/89/282072289.db2.gz IXZWRXCONJNHLX-KRWDZBQOSA-N 2 0 345.531 3.442 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246128809 289118217 /nfs/dbraw/zinc/11/82/17/289118217.db2.gz DYHNPNRKSAQVJZ-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP CN(CCC[N@H+](C)Cc1cscc1C(F)(F)F)CC[NH+](C)C ZINC000356313748 289133051 /nfs/dbraw/zinc/13/30/51/289133051.db2.gz DRSLORSHVFMFPC-UHFFFAOYSA-N 2 0 337.455 3.082 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194009879 289172417 /nfs/dbraw/zinc/17/24/17/289172417.db2.gz CUSFAWGTQUTBCV-MISYRCLQSA-N 2 0 344.499 3.064 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCS2 ZINC000187182263 301448820 /nfs/dbraw/zinc/44/88/20/301448820.db2.gz NLKHUXOJRVQWKY-SJLPKXTDSA-N 2 0 333.545 3.066 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(CC)CC)CC1 ZINC000066960698 307363979 /nfs/dbraw/zinc/36/39/79/307363979.db2.gz SBJZWJHSDPJYDV-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000075800703 307401632 /nfs/dbraw/zinc/40/16/32/307401632.db2.gz NIVKCVAVWUZSJO-UHFFFAOYSA-N 2 0 345.462 3.203 20 0 EGADRP CCOC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000127274685 307582184 /nfs/dbraw/zinc/58/21/84/307582184.db2.gz LFBCUGHSUGGFBM-HZPDHXFCSA-N 2 0 337.483 3.043 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070152 309058965 /nfs/dbraw/zinc/05/89/65/309058965.db2.gz SCZSJIYDYCRTLA-MJGOQNOKSA-N 2 0 335.923 3.203 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000414095646 309060670 /nfs/dbraw/zinc/06/06/70/309060670.db2.gz GWMCTINKROWGKR-QGZVFWFLSA-N 2 0 333.520 3.369 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CC1(C)C ZINC000414119124 309062000 /nfs/dbraw/zinc/06/20/00/309062000.db2.gz WFKVEXMPIAXMNU-IRXDYDNUSA-N 2 0 337.552 3.027 20 0 EGADRP COC(=O)c1ccc(-c2ccc(C[NH2+]CC3CC[NH+](C)CC3)o2)cc1 ZINC000133911382 307679206 /nfs/dbraw/zinc/67/92/06/307679206.db2.gz KQYKUOWVIMBNMQ-UHFFFAOYSA-N 2 0 342.439 3.165 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414161250 309064058 /nfs/dbraw/zinc/06/40/58/309064058.db2.gz KCDJBPUJXWIODO-ZWKOTPCHSA-N 2 0 349.519 3.094 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414183861 309065448 /nfs/dbraw/zinc/06/54/48/309065448.db2.gz NZASDMNXIWWJKC-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000414198759 309066487 /nfs/dbraw/zinc/06/64/87/309066487.db2.gz WJUAUMZMCBBWCI-VXGBXAGGSA-N 2 0 344.272 3.366 20 0 EGADRP CCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414321854 309072716 /nfs/dbraw/zinc/07/27/16/309072716.db2.gz FXCZHKCHVLFJRZ-INIZCTEOSA-N 2 0 331.504 3.052 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000245508745 307951295 /nfs/dbraw/zinc/95/12/95/307951295.db2.gz SOBTUOKNICUVNI-YZGWKJHDSA-N 2 0 329.532 3.405 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000414387129 309077151 /nfs/dbraw/zinc/07/71/51/309077151.db2.gz YIXZKTXAUREGBL-UHFFFAOYSA-N 2 0 344.478 3.484 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000248617169 308007457 /nfs/dbraw/zinc/00/74/57/308007457.db2.gz ZHHQAYOZWUKUJY-VXKWHMMOSA-N 2 0 344.543 3.424 20 0 EGADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000248621774 308007567 /nfs/dbraw/zinc/00/75/67/308007567.db2.gz ASBCBBHCTYRZLF-XUVXKRRUSA-N 2 0 328.500 3.039 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000249133016 308019832 /nfs/dbraw/zinc/01/98/32/308019832.db2.gz YHWQPDFAHXCGQZ-COXVUDFISA-N 2 0 326.843 3.383 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000414447159 309080639 /nfs/dbraw/zinc/08/06/39/309080639.db2.gz WKSMLUUOYDOPHA-JXFKEZNVSA-N 2 0 342.462 3.236 20 0 EGADRP CC1(C)CCC[C@@]1(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000293026437 308091540 /nfs/dbraw/zinc/09/15/40/308091540.db2.gz RFCXEVPDRSKUMZ-OAQYLSRUSA-N 2 0 330.516 3.224 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCN(CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056675 308094922 /nfs/dbraw/zinc/09/49/22/308094922.db2.gz UMWLAXOQMFQTSU-OAQYLSRUSA-N 2 0 337.467 3.196 20 0 EGADRP Nc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccn1 ZINC000293336472 308121373 /nfs/dbraw/zinc/12/13/73/308121373.db2.gz MWZFLEORFHCJEW-UHFFFAOYSA-N 2 0 336.483 3.152 20 0 EGADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293577504 308143513 /nfs/dbraw/zinc/14/35/13/308143513.db2.gz BTKJEBNBAVTNBH-QGZVFWFLSA-N 2 0 348.487 3.155 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000293866365 308169142 /nfs/dbraw/zinc/16/91/42/308169142.db2.gz ZIRNGFZCQIMHIL-KRWDZBQOSA-N 2 0 327.476 3.184 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000294692780 308246626 /nfs/dbraw/zinc/24/66/26/308246626.db2.gz ATNDFHMJIAJYPZ-GUDVDZBRSA-N 2 0 341.524 3.494 20 0 EGADRP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000295148326 308296911 /nfs/dbraw/zinc/29/69/11/308296911.db2.gz QWHCHDHJXNIGNN-FYZZASKESA-N 2 0 330.516 3.285 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000295243441 308306783 /nfs/dbraw/zinc/30/67/83/308306783.db2.gz DETJOLONLSKEDK-KRWDZBQOSA-N 2 0 343.515 3.085 20 0 EGADRP Cc1cnccc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000295477421 308330874 /nfs/dbraw/zinc/33/08/74/308330874.db2.gz RXLNWBPYJBLAMX-UHFFFAOYSA-N 2 0 339.483 3.197 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295917289 308374384 /nfs/dbraw/zinc/37/43/84/308374384.db2.gz JPAGVWXUBMVBAV-FMJMRLDVSA-N 2 0 344.503 3.492 20 0 EGADRP COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414701224 309096293 /nfs/dbraw/zinc/09/62/93/309096293.db2.gz UKTOLGMJPGFJMO-UONOGXRCSA-N 2 0 328.859 3.316 20 0 EGADRP C[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000414709335 309096632 /nfs/dbraw/zinc/09/66/32/309096632.db2.gz JTWQCGRLHBFPSQ-INIZCTEOSA-N 2 0 344.503 3.277 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OCc1ccccc1 ZINC000414664872 309094268 /nfs/dbraw/zinc/09/42/68/309094268.db2.gz ULEBZAWSNZULCU-LPHOPBHVSA-N 2 0 340.467 3.443 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000414676336 309095051 /nfs/dbraw/zinc/09/50/51/309095051.db2.gz HHTNQWYVLNDGFN-KBPBESRZSA-N 2 0 341.293 3.148 20 0 EGADRP C[C@@H](c1ccccc1Cl)[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414675271 309095089 /nfs/dbraw/zinc/09/50/89/309095089.db2.gz LUPIUXZDRIVIRO-GJZGRUSLSA-N 2 0 349.906 3.063 20 0 EGADRP CCCC1CCC([N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)CC1 ZINC000414692414 309095676 /nfs/dbraw/zinc/09/56/76/309095676.db2.gz QATLLSYABZKMPI-XBMUEBEBSA-N 2 0 337.552 3.253 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC[NH2+]1 ZINC000414717935 309097248 /nfs/dbraw/zinc/09/72/48/309097248.db2.gz ZXBHTXHVLBNLIX-HZPDHXFCSA-N 2 0 344.478 3.468 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)CC[NH2+]1 ZINC000414751035 309098862 /nfs/dbraw/zinc/09/88/62/309098862.db2.gz ZJCKGQSZVAKPMQ-FGTMMUONSA-N 2 0 338.499 3.133 20 0 EGADRP C[C@H]1C[C@@H](C[N@@H+]2CCOc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000414755222 309098936 /nfs/dbraw/zinc/09/89/36/309098936.db2.gz HCCYOALDOWEXFU-STQMWFEESA-N 2 0 339.277 3.032 20 0 EGADRP Fc1ccccc1N1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297499491 308540178 /nfs/dbraw/zinc/54/01/78/308540178.db2.gz UURWRLYKDBCSPG-QGZVFWFLSA-N 2 0 340.446 3.058 20 0 EGADRP CCCCOc1ccccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414776740 309100348 /nfs/dbraw/zinc/10/03/48/309100348.db2.gz NZGLOMHGWYHLBS-QUCCMNQESA-N 2 0 332.488 3.194 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778822 309100408 /nfs/dbraw/zinc/10/04/08/309100408.db2.gz JIXRAVAMMAIZHT-UONOGXRCSA-N 2 0 346.425 3.176 20 0 EGADRP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414783147 309100811 /nfs/dbraw/zinc/10/08/11/309100811.db2.gz PKYGXQLSGJRLTR-HOTGVXAUSA-N 2 0 342.405 3.449 20 0 EGADRP [NH3+]C[C@@H]1CN(Cc2csc(-c3cccs3)n2)CC12CCOCC2 ZINC000414790015 309101480 /nfs/dbraw/zinc/10/14/80/309101480.db2.gz ZGEFWAAZDLGNDR-CYBMUJFWSA-N 2 0 349.525 3.059 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414796669 309101882 /nfs/dbraw/zinc/10/18/82/309101882.db2.gz HYHOGZXMJCGCQK-YLJYHZDGSA-N 2 0 325.456 3.268 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000414807785 309102731 /nfs/dbraw/zinc/10/27/31/309102731.db2.gz RNTJJGZUBKQDGC-LZWOXQAQSA-N 2 0 337.895 3.473 20 0 EGADRP CCOc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(F)F ZINC000414809161 309102822 /nfs/dbraw/zinc/10/28/22/309102822.db2.gz GGSFOPHJGVKDFH-PBWFPOADSA-N 2 0 326.387 3.059 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OCc1ccccc1 ZINC000414829996 309104223 /nfs/dbraw/zinc/10/42/23/309104223.db2.gz LKXPODCXBZXRCD-QGZVFWFLSA-N 2 0 340.467 3.363 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414831066 309104390 /nfs/dbraw/zinc/10/43/90/309104390.db2.gz PIMLRPYTHFPXGK-STQMWFEESA-N 2 0 343.393 3.012 20 0 EGADRP Fc1ccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000301293302 308695314 /nfs/dbraw/zinc/69/53/14/308695314.db2.gz VYJDFZMAYXZNDJ-AWEZNQCLSA-N 2 0 329.419 3.287 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414848915 309105292 /nfs/dbraw/zinc/10/52/92/309105292.db2.gz GWLMFQMKVWRXFC-GXTWGEPZSA-N 2 0 326.868 3.225 20 0 EGADRP c1cc2c(o1)CCC[C@@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390550440 308901117 /nfs/dbraw/zinc/90/11/17/308901117.db2.gz JYLRFEIDXIDQSL-FQEVSTJZSA-N 2 0 339.483 3.064 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000410383155 308916746 /nfs/dbraw/zinc/91/67/46/308916746.db2.gz NONAGZUDWXRIPN-QGZVFWFLSA-N 2 0 339.568 3.085 20 0 EGADRP COCC1CC[NH+](CCC(C)CC[NH+]2CCC(COC)CC2)CC1 ZINC000411261727 308932788 /nfs/dbraw/zinc/93/27/88/308932788.db2.gz GEWMUINMJIFQTE-UHFFFAOYSA-N 2 0 340.552 3.120 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000411449548 308939530 /nfs/dbraw/zinc/93/95/30/308939530.db2.gz MBQKJXCKQCZQCF-IBGZPJMESA-N 2 0 345.531 3.354 20 0 EGADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414863778 309106188 /nfs/dbraw/zinc/10/61/88/309106188.db2.gz YEIMJDOFISFOQM-OCCSQVGLSA-N 2 0 346.393 3.114 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414879129 309107071 /nfs/dbraw/zinc/10/70/71/309107071.db2.gz PDMAIPZVLKEKFG-MRXNPFEDSA-N 2 0 328.456 3.349 20 0 EGADRP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000414892203 309107824 /nfs/dbraw/zinc/10/78/24/309107824.db2.gz WUNIDLZLSJEQMK-CQSZACIVSA-N 2 0 342.443 3.291 20 0 EGADRP COc1cc(C[NH2+][C@H](C)CC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000414899485 309108145 /nfs/dbraw/zinc/10/81/45/309108145.db2.gz UUQWUUVBLCCLCK-OAHLLOKOSA-N 2 0 344.455 3.110 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414905185 309108492 /nfs/dbraw/zinc/10/84/92/309108492.db2.gz NQIALHDIYKEWTH-UHFFFAOYSA-N 2 0 340.496 3.488 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2[NH2+]CCCC2(C)C)c1C ZINC000414928509 309109683 /nfs/dbraw/zinc/10/96/83/309109683.db2.gz NIYIJPHIQDDAAH-QAPCUYQASA-N 2 0 331.504 3.388 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000414936065 309110084 /nfs/dbraw/zinc/11/00/84/309110084.db2.gz YZAQZQJHDKTJMU-UONOGXRCSA-N 2 0 338.377 3.251 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000414989128 309113094 /nfs/dbraw/zinc/11/30/94/309113094.db2.gz GSXJAZQNONQTIZ-AEFFLSMTSA-N 2 0 325.456 3.268 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002359 309113568 /nfs/dbraw/zinc/11/35/68/309113568.db2.gz MDCLKCICOOVTSZ-XIGKFDRGSA-N 2 0 347.522 3.419 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000415003426 309113722 /nfs/dbraw/zinc/11/37/22/309113722.db2.gz MYOHSEQEGJWYIH-ZKIDJSGLSA-N 2 0 344.474 3.066 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000415015220 309114445 /nfs/dbraw/zinc/11/44/45/309114445.db2.gz NSJVMMDFLWKFEQ-GJZGRUSLSA-N 2 0 339.911 3.184 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000415019587 309114747 /nfs/dbraw/zinc/11/47/47/309114747.db2.gz FHAYPEFZFMBUKU-JOCQHMNTSA-N 2 0 341.293 3.312 20 0 EGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)CCC[NH3+])c2)cc1 ZINC000415024557 309114972 /nfs/dbraw/zinc/11/49/72/309114972.db2.gz PBCAPRDZVWYEFS-OAHLLOKOSA-N 2 0 341.455 3.165 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415046321 309116341 /nfs/dbraw/zinc/11/63/41/309116341.db2.gz UYMXFSYMJDGFLO-GDBMZVCRSA-N 2 0 332.879 3.360 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H](CC[NH3+])C(F)(F)F ZINC000415061005 309117575 /nfs/dbraw/zinc/11/75/75/309117575.db2.gz VJIQFAYXQHEKEJ-HNNXBMFYSA-N 2 0 331.426 3.014 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000415083828 309119146 /nfs/dbraw/zinc/11/91/46/309119146.db2.gz FUMWOIHOQUPYED-OBJOEFQTSA-N 2 0 341.293 3.496 20 0 EGADRP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000415088115 309119574 /nfs/dbraw/zinc/11/95/74/309119574.db2.gz XBGLFZDVASTMBP-QLFBSQMISA-N 2 0 343.393 3.033 20 0 EGADRP CCOc1ccc(C2(C[NH2+]C[C@H]3CC[NH2+][C@@H](C)C3)CCOCC2)cc1 ZINC000415092120 309119599 /nfs/dbraw/zinc/11/95/99/309119599.db2.gz SCYFBNAUZHWXSC-ROUUACIJSA-N 2 0 346.515 3.111 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000415103087 309120634 /nfs/dbraw/zinc/12/06/34/309120634.db2.gz FMODJNWMDRLMIL-WMZOPIPTSA-N 2 0 338.879 3.067 20 0 EGADRP CC[C@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)Oc1ccccc1C(F)(F)F ZINC000415124663 309122046 /nfs/dbraw/zinc/12/20/46/309122046.db2.gz RDGSYAVPKLJVDF-CZUORRHYSA-N 2 0 330.394 3.452 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415130668 309122545 /nfs/dbraw/zinc/12/25/45/309122545.db2.gz RGHVWPYYBXJCBX-RTWAWAEBSA-N 2 0 346.515 3.440 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000415131471 309122688 /nfs/dbraw/zinc/12/26/88/309122688.db2.gz SHXHATFTNKFWJG-SJORKVTESA-N 2 0 326.843 3.197 20 0 EGADRP COc1cccc(Cl)c1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415131898 309122715 /nfs/dbraw/zinc/12/27/15/309122715.db2.gz SQBYBTFUKHCIQC-WMZOPIPTSA-N 2 0 338.879 3.067 20 0 EGADRP COc1cccc(Cl)c1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415131893 309122783 /nfs/dbraw/zinc/12/27/83/309122783.db2.gz SQBYBTFUKHCIQC-AEFFLSMTSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415131080 309122787 /nfs/dbraw/zinc/12/27/87/309122787.db2.gz RVXRSTHOKUXRTR-UXHICEINSA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000415134325 309122990 /nfs/dbraw/zinc/12/29/90/309122990.db2.gz VZQOWSLGHSPQFA-NRFANRHFSA-N 2 0 347.466 3.241 20 0 EGADRP NC1(C[NH2+]C/C=C/c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140705 309123312 /nfs/dbraw/zinc/12/33/12/309123312.db2.gz ZEWOVBYOJKLSMA-KPKJPENVSA-N 2 0 335.495 3.283 20 0 EGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000415146602 309123663 /nfs/dbraw/zinc/12/36/63/309123663.db2.gz YRYSCXFAAKZGQY-UHFFFAOYSA-N 2 0 336.888 3.354 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]([NH3+])c3ccccc3)ccc21 ZINC000415784567 309143887 /nfs/dbraw/zinc/14/38/87/309143887.db2.gz HHTIQQJEEIJOAL-RTBURBONSA-N 2 0 338.455 3.057 20 0 EGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)c1ccco1 ZINC000415901950 309147096 /nfs/dbraw/zinc/14/70/96/309147096.db2.gz NZDSKSDXVUGOIL-PBHICJAKSA-N 2 0 344.459 3.250 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000415922366 309148822 /nfs/dbraw/zinc/14/88/22/309148822.db2.gz SMFJNAINBQXCKL-UHFFFAOYSA-N 2 0 334.508 3.379 20 0 EGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccco1 ZINC000415928800 309149250 /nfs/dbraw/zinc/14/92/50/309149250.db2.gz IFWZVLNLZYBTDZ-RHSMWYFYSA-N 2 0 344.459 3.250 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000415932951 309149673 /nfs/dbraw/zinc/14/96/73/309149673.db2.gz NOMGQLDNBZPYGX-YESZJQIVSA-N 2 0 346.519 3.284 20 0 EGADRP C[NH+](C)C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000415945750 309150592 /nfs/dbraw/zinc/15/05/92/309150592.db2.gz DOHFYHBZSAUOQG-QGZVFWFLSA-N 2 0 346.862 3.223 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415978962 309152545 /nfs/dbraw/zinc/15/25/45/309152545.db2.gz QGXOKODFIFRLOP-UHFFFAOYSA-N 2 0 332.492 3.025 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000416161802 309161668 /nfs/dbraw/zinc/16/16/68/309161668.db2.gz NSLQWSAXLSEUQS-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000420286397 309279570 /nfs/dbraw/zinc/27/95/70/309279570.db2.gz GHMJHUAVZGZDMX-UHFFFAOYSA-N 2 0 340.895 3.457 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298919 309280253 /nfs/dbraw/zinc/28/02/53/309280253.db2.gz AGCBTSYDCXBHCT-QGTPRVQTSA-N 2 0 342.874 3.275 20 0 EGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420301301 309280366 /nfs/dbraw/zinc/28/03/66/309280366.db2.gz AMULHAXNYDPIEO-PCCBWWKXSA-N 3 0 329.532 3.048 20 0 EGADRP Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420314532 309281443 /nfs/dbraw/zinc/28/14/43/309281443.db2.gz KFWTUCBIANFMRU-KSSFIOAISA-N 2 0 328.435 3.352 20 0 EGADRP CCOc1cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000420319431 309281712 /nfs/dbraw/zinc/28/17/12/309281712.db2.gz PNKZJZMJYFVLAA-CYBMUJFWSA-N 2 0 328.403 3.118 20 0 EGADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000420319945 309281814 /nfs/dbraw/zinc/28/18/14/309281814.db2.gz PQMIQLHXZSIOJT-MZPVMMEZSA-N 2 0 343.298 3.273 20 0 EGADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cccc2ccccc21 ZINC000420330972 309282537 /nfs/dbraw/zinc/28/25/37/309282537.db2.gz BFTRYVZTHHOHME-IBGZPJMESA-N 2 0 337.467 3.242 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1F ZINC000420328750 309282666 /nfs/dbraw/zinc/28/26/66/309282666.db2.gz FONJFWHJOSOORA-CWRNSKLLSA-N 2 0 344.434 3.177 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000420340632 309283143 /nfs/dbraw/zinc/28/31/43/309283143.db2.gz MXPVSPLGRHYRFL-MJGOQNOKSA-N 2 0 343.515 3.403 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420357348 309283771 /nfs/dbraw/zinc/28/37/71/309283771.db2.gz HKVBEXLJWLAZJF-CQSZACIVSA-N 2 0 343.393 3.012 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000420371089 309284847 /nfs/dbraw/zinc/28/48/47/309284847.db2.gz KEWUCJZIHYQNJF-XLIONFOSSA-N 2 0 328.456 3.487 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c2ccccc2n1 ZINC000420380390 309285257 /nfs/dbraw/zinc/28/52/57/309285257.db2.gz OAIIVUPYLIYFNW-TZIWHRDSSA-N 2 0 339.483 3.262 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000420394467 309286177 /nfs/dbraw/zinc/28/61/77/309286177.db2.gz RPHATQJEORVHEI-RBUKOAKNSA-N 2 0 336.907 3.491 20 0 EGADRP CSc1cc2c(cc1C[NH2+]C1CCC([NH+](C)C)CC1)OCCO2 ZINC000421376555 309321412 /nfs/dbraw/zinc/32/14/12/309321412.db2.gz RKJKYALOVFMADM-UHFFFAOYSA-N 2 0 336.501 3.142 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3cccnc3CC2)cc1 ZINC000421821593 309341508 /nfs/dbraw/zinc/34/15/08/309341508.db2.gz SFZIQNUSWOXUHH-LJQANCHMSA-N 2 0 339.483 3.059 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ncc(Br)s1 ZINC000421878917 309344845 /nfs/dbraw/zinc/34/48/45/309344845.db2.gz ODPOUIZPOQPMOE-KPPDAEKUSA-N 2 0 332.311 3.429 20 0 EGADRP C[C@H]([NH2+]CC1(c2ccc(Br)cc2Cl)CC1)C1C[NH2+]C1 ZINC000423136305 309387898 /nfs/dbraw/zinc/38/78/98/309387898.db2.gz PAOWXKWPBAPKNA-JTQLQIEISA-N 2 0 343.696 3.332 20 0 EGADRP C[NH2+]CCc1ccccc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000422549939 309361460 /nfs/dbraw/zinc/36/14/60/309361460.db2.gz IWARRPXWXNLGFW-UHFFFAOYSA-N 2 0 336.439 3.227 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000422635970 309363264 /nfs/dbraw/zinc/36/32/64/309363264.db2.gz MGOBCLROCVPKTH-UMVBOHGHSA-N 2 0 348.878 3.238 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccccc2C)C2CC2)CC[NH2+]CC1 ZINC000422706271 309363955 /nfs/dbraw/zinc/36/39/55/309363955.db2.gz DTARGRBROVPWEZ-APWZRJJASA-N 2 0 344.499 3.357 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422710698 309364244 /nfs/dbraw/zinc/36/42/44/309364244.db2.gz LYVVEWLQCBZVBF-KGLIPLIRSA-N 2 0 329.419 3.293 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000422714589 309364348 /nfs/dbraw/zinc/36/43/48/309364348.db2.gz LEMDTRSFBKFLRH-BXWFABGCSA-N 2 0 343.540 3.043 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422717762 309364621 /nfs/dbraw/zinc/36/46/21/309364621.db2.gz PCKRVPTUNBCLFM-HKUYNNGSSA-N 2 0 329.488 3.422 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422717322 309364721 /nfs/dbraw/zinc/36/47/21/309364721.db2.gz VKLUMQINAFSLIG-WDSOQIARSA-N 2 0 344.499 3.234 20 0 EGADRP CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422719297 309364816 /nfs/dbraw/zinc/36/48/16/309364816.db2.gz YJHBBBULCOWZFE-PKOBYXMFSA-N 2 0 346.515 3.309 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1C[NH2+]C1 ZINC000422738733 309366056 /nfs/dbraw/zinc/36/60/56/309366056.db2.gz ZGPGMWHFGPXCOP-GFCCVEGCSA-N 2 0 342.314 3.155 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)c2)CC1 ZINC000422737441 309366089 /nfs/dbraw/zinc/36/60/89/309366089.db2.gz IFMUTILEQDYRCL-WIYYLYMNSA-N 3 0 329.532 3.396 20 0 EGADRP CCOc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422746020 309366243 /nfs/dbraw/zinc/36/62/43/309366243.db2.gz YVCBUILATWUPRQ-NQIIRXRSSA-N 2 0 338.451 3.431 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@@H](C)CCCC[NH3+])N2CCCCC2)cc1 ZINC000422753732 309366633 /nfs/dbraw/zinc/36/66/33/309366633.db2.gz GIVBWZCMMRDWAM-PXNSSMCTSA-N 2 0 333.520 3.329 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422768400 309367255 /nfs/dbraw/zinc/36/72/55/309367255.db2.gz UMTAEBVPELGPST-SLYNCCJLSA-N 3 0 345.531 3.198 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422768395 309367273 /nfs/dbraw/zinc/36/72/73/309367273.db2.gz UMTAEBVPELGPST-HFSMHLIXSA-N 3 0 345.531 3.198 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422768397 309367305 /nfs/dbraw/zinc/36/73/05/309367305.db2.gz UMTAEBVPELGPST-LMNJBCLMSA-N 3 0 345.531 3.198 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422769898 309367361 /nfs/dbraw/zinc/36/73/61/309367361.db2.gz VMLDSXMETURFIO-BFUOFWGJSA-N 2 0 346.906 3.456 20 0 EGADRP Clc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c1 ZINC000422770742 309367444 /nfs/dbraw/zinc/36/74/44/309367444.db2.gz WPCUMFGPEQLUHH-JWTNVVGKSA-N 2 0 334.891 3.261 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000422780989 309367927 /nfs/dbraw/zinc/36/79/27/309367927.db2.gz IGVFOEHNJNJQJV-RAQOOLMWSA-N 2 0 339.277 3.391 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000422780907 309367963 /nfs/dbraw/zinc/36/79/63/309367963.db2.gz KZBYHPQCOGRJSF-FFGOWVMKSA-N 2 0 342.483 3.180 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])CC2)cc1 ZINC000422781672 309368080 /nfs/dbraw/zinc/36/80/80/309368080.db2.gz MEIQCSCDTDPAHI-RTWAWAEBSA-N 3 0 345.531 3.157 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@H+](C)Cc1ccccc1 ZINC000422783389 309368112 /nfs/dbraw/zinc/36/81/12/309368112.db2.gz KXXBEJOQYGCGPX-RXVVDRJESA-N 2 0 325.500 3.057 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422794911 309368704 /nfs/dbraw/zinc/36/87/04/309368704.db2.gz UTBFFUCAFYTMBM-YWZLYKJASA-N 2 0 326.488 3.026 20 0 EGADRP COCc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422803877 309369286 /nfs/dbraw/zinc/36/92/86/309369286.db2.gz JVOBODHUSNRYLX-FPOVZHCZSA-N 2 0 338.451 3.179 20 0 EGADRP Fc1cc(F)cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422804685 309369458 /nfs/dbraw/zinc/36/94/58/309369458.db2.gz KVZLSYQRJKLMFO-IEBWSBKVSA-N 2 0 330.378 3.310 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422808867 309369583 /nfs/dbraw/zinc/36/95/83/309369583.db2.gz OYLHKZVZTZHYCK-WCQYABFASA-N 2 0 343.418 3.253 20 0 EGADRP CCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000422814804 309369890 /nfs/dbraw/zinc/36/98/90/309369890.db2.gz WEAGDESUOUMMRP-XLIONFOSSA-N 2 0 330.472 3.039 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000422818409 309370077 /nfs/dbraw/zinc/37/00/77/309370077.db2.gz KIOJMCJQPKVPAT-GBESFXJTSA-N 2 0 328.504 3.082 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422844359 309371667 /nfs/dbraw/zinc/37/16/67/309371667.db2.gz LNXUWJLGJQEXPP-KBPBESRZSA-N 2 0 329.419 3.293 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000422890128 309374516 /nfs/dbraw/zinc/37/45/16/309374516.db2.gz RGZBSGMJMFWAFZ-IAGOWNOFSA-N 2 0 332.488 3.275 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CN[C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422893034 309374651 /nfs/dbraw/zinc/37/46/51/309374651.db2.gz OGOQAJDDOGXZRR-XLIONFOSSA-N 2 0 333.520 3.027 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901795 309375303 /nfs/dbraw/zinc/37/53/03/309375303.db2.gz CJIJZEFFXGIINW-XCRHUMRWSA-N 2 0 339.886 3.161 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccc1-n1ccnc1 ZINC000422905737 309375613 /nfs/dbraw/zinc/37/56/13/309375613.db2.gz SPPBFZPABLCRSK-YTQUADARSA-N 2 0 342.462 3.412 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000422908314 309375616 /nfs/dbraw/zinc/37/56/16/309375616.db2.gz DDRBZZIMNTXMMF-QGZVFWFLSA-N 2 0 346.515 3.166 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422913299 309375830 /nfs/dbraw/zinc/37/58/30/309375830.db2.gz YDUCFVBRERHJIO-NHCUHLMSSA-N 3 0 329.532 3.191 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)Cc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000422918427 309376249 /nfs/dbraw/zinc/37/62/49/309376249.db2.gz IAJXVLJOMPSVIY-QZTJIDSGSA-N 2 0 346.515 3.145 20 0 EGADRP FC(F)(F)c1cnc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000422924234 309376515 /nfs/dbraw/zinc/37/65/15/309376515.db2.gz TWAHCSICJKJFFC-FOSCPWQOSA-N 2 0 349.784 3.005 20 0 EGADRP Fc1cccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422939700 309377194 /nfs/dbraw/zinc/37/71/94/309377194.db2.gz IEKUZFAQQKPMHB-UYAOXDASSA-N 2 0 342.414 3.050 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422952038 309377655 /nfs/dbraw/zinc/37/76/55/309377655.db2.gz BJXRSIJWNXPWNW-FUHWJXTLSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccccc1OCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422948416 309377677 /nfs/dbraw/zinc/37/76/77/309377677.db2.gz RGCHQHWOCNWCFL-WIYYLYMNSA-N 2 0 338.451 3.219 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422951142 309377694 /nfs/dbraw/zinc/37/76/94/309377694.db2.gz XQXIYHXCDQXSBX-CABCVRRESA-N 2 0 327.266 3.078 20 0 EGADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422956872 309378013 /nfs/dbraw/zinc/37/80/13/309378013.db2.gz REACVWDTLHKVJR-ARFHVFGLSA-N 2 0 333.545 3.465 20 0 EGADRP Fc1cccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000422959332 309378383 /nfs/dbraw/zinc/37/83/83/309378383.db2.gz RPSWZURLDHFXSK-FXAWDEMLSA-N 2 0 344.405 3.353 20 0 EGADRP Cn1cc(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)cn1 ZINC000422965031 309378670 /nfs/dbraw/zinc/37/86/70/309378670.db2.gz NJSHIGGQNKGQEZ-PCCBWWKXSA-N 2 0 338.499 3.488 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965959 309378672 /nfs/dbraw/zinc/37/86/72/309378672.db2.gz QIIQJSXFENYSNW-OXQOHEQNSA-N 2 0 326.488 3.488 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422973413 309379087 /nfs/dbraw/zinc/37/90/87/309379087.db2.gz OMGLQMDADHTWRQ-MOPGFXCFSA-N 2 0 325.456 3.268 20 0 EGADRP COc1cc(NCC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc(OC)c1 ZINC000422997731 309380195 /nfs/dbraw/zinc/38/01/95/309380195.db2.gz BQBFRCAQYBJCOF-JKSUJKDBSA-N 2 0 335.492 3.016 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000423005139 309380482 /nfs/dbraw/zinc/38/04/82/309380482.db2.gz QVUSBUYDQUDINW-BJAXAZRTSA-N 3 0 327.516 3.160 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423008187 309380583 /nfs/dbraw/zinc/38/05/83/309380583.db2.gz SNXHCZINCIYIPO-YOFSQIOKSA-N 3 0 339.483 3.284 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423008580 309380639 /nfs/dbraw/zinc/38/06/39/309380639.db2.gz AKUJBFJAKVXDGO-XGHQBKJUSA-N 2 0 326.484 3.422 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423030806 309382127 /nfs/dbraw/zinc/38/21/27/309382127.db2.gz WIWCHEIEKRCLOE-GWIFVGGISA-N 2 0 327.875 3.187 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423038381 309382376 /nfs/dbraw/zinc/38/23/76/309382376.db2.gz YONUWMYNRJLPBU-WFASDCNBSA-N 2 0 341.293 3.120 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056571 309383553 /nfs/dbraw/zinc/38/35/53/309383553.db2.gz YMROWHIUHZLMMA-XOKHGSTOSA-N 2 0 343.437 3.286 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066855 309384121 /nfs/dbraw/zinc/38/41/21/309384121.db2.gz FNZAZUIVHOMFSQ-SMDDNHRTSA-N 2 0 344.286 3.206 20 0 EGADRP [NH3+]CC1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000423074155 309384419 /nfs/dbraw/zinc/38/44/19/309384419.db2.gz KTXMIWAHESYRCF-QUDVFMAMSA-N 2 0 334.479 3.007 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423080221 309384907 /nfs/dbraw/zinc/38/49/07/309384907.db2.gz SFUQOBGCNIEDKH-VBQJREDUSA-N 2 0 338.442 3.119 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423081423 309384996 /nfs/dbraw/zinc/38/49/96/309384996.db2.gz BRGLJWRQFASVDS-KBXCAEBGSA-N 2 0 348.462 3.114 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1C ZINC000423087032 309385448 /nfs/dbraw/zinc/38/54/48/309385448.db2.gz NAHKVNXYNUWFPH-QHAWAJNXSA-N 2 0 342.527 3.472 20 0 EGADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423094329 309385520 /nfs/dbraw/zinc/38/55/20/309385520.db2.gz JXISGLKNOYDGFT-QDGKJQRMSA-N 2 0 332.463 3.209 20 0 EGADRP Cc1cccc(CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423105972 309386323 /nfs/dbraw/zinc/38/63/23/309386323.db2.gz NYNCTCHMSUZNNH-TZIWHRDSSA-N 2 0 337.467 3.168 20 0 EGADRP CC[C@@H](NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423125214 309387168 /nfs/dbraw/zinc/38/71/68/309387168.db2.gz NKXKOCBBCGJWCL-HSALFYBXSA-N 2 0 333.520 3.197 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423129141 309387420 /nfs/dbraw/zinc/38/74/20/309387420.db2.gz DTQQCBBBIRGZDC-TUUVXOQKSA-N 2 0 330.394 3.065 20 0 EGADRP COc1cc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1Cl ZINC000423134357 309387689 /nfs/dbraw/zinc/38/76/89/309387689.db2.gz MAMIAGUBQBFWPH-KDOFPFPSSA-N 2 0 332.875 3.439 20 0 EGADRP FC(F)(F)C1CC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423136397 309387800 /nfs/dbraw/zinc/38/78/00/309387800.db2.gz YWVNKAQWXCXQFI-REHBVBGRSA-N 2 0 326.362 3.173 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000423165815 309389086 /nfs/dbraw/zinc/38/90/86/309389086.db2.gz UXTREMUXAIQMDG-YZGWKJHDSA-N 2 0 344.524 3.461 20 0 EGADRP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423177023 309389230 /nfs/dbraw/zinc/38/92/30/309389230.db2.gz DLJQVINJWCUTOS-CQSZACIVSA-N 2 0 329.669 3.431 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423182448 309389283 /nfs/dbraw/zinc/38/92/83/309389283.db2.gz KJMMYIYLIDPORQ-QGZVFWFLSA-N 2 0 343.437 3.287 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccs1 ZINC000423211777 309390746 /nfs/dbraw/zinc/39/07/46/309390746.db2.gz YXBLEVMXHNQSAY-QGZVFWFLSA-N 2 0 349.931 3.180 20 0 EGADRP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423217770 309390885 /nfs/dbraw/zinc/39/08/85/309390885.db2.gz UTANMGWPZMVZHU-SWLSCSKDSA-N 2 0 339.277 3.252 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254408 309392548 /nfs/dbraw/zinc/39/25/48/309392548.db2.gz XYXBNIHSRZJVOO-VXGBXAGGSA-N 2 0 329.257 3.108 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254872 309392572 /nfs/dbraw/zinc/39/25/72/309392572.db2.gz ZTXUGXSLJBHUAG-YGRLFVJLSA-N 2 0 327.241 3.165 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423265641 309392918 /nfs/dbraw/zinc/39/29/18/309392918.db2.gz CNRBEMJGWQSLPE-ZWNOBZJWSA-N 2 0 329.307 3.431 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c2cccs2)CC1 ZINC000423299318 309394466 /nfs/dbraw/zinc/39/44/66/309394466.db2.gz BSRAUSQAAWZCGR-BRWVUGGUSA-N 2 0 349.544 3.025 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423301421 309394517 /nfs/dbraw/zinc/39/45/17/309394517.db2.gz GDKYOLPTVYCXRA-ZUZCIYMTSA-N 2 0 336.277 3.492 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423323636 309395076 /nfs/dbraw/zinc/39/50/76/309395076.db2.gz IHJBPXFQOMZAJG-INIZCTEOSA-N 2 0 342.487 3.039 20 0 EGADRP CC1(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000423331524 309395647 /nfs/dbraw/zinc/39/56/47/309395647.db2.gz OQCFHXPJNBSRIP-SFHVURJKSA-N 2 0 331.410 3.429 20 0 EGADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000423344920 309396442 /nfs/dbraw/zinc/39/64/42/309396442.db2.gz FNYLOGKXBCSIHY-APWZRJJASA-N 2 0 329.488 3.042 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000423346573 309396443 /nfs/dbraw/zinc/39/64/43/309396443.db2.gz YRJCJMMYAYGIMH-QFBILLFUSA-N 2 0 331.504 3.476 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccc5c(c4)C[NH2+]C5)[C@H]3C2)cc1 ZINC000423366186 309397163 /nfs/dbraw/zinc/39/71/63/309397163.db2.gz BQTHCQIIIMRYMN-ACIOBRDBSA-N 2 0 347.506 3.290 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1Br ZINC000423369598 309397469 /nfs/dbraw/zinc/39/74/69/309397469.db2.gz STABSKWQPZRWDG-DGCLKSJQSA-N 2 0 327.266 3.250 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000423371289 309397611 /nfs/dbraw/zinc/39/76/11/309397611.db2.gz FHYWICKLGXWDAG-NVXWUHKLSA-N 2 0 331.504 3.010 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000423384942 309397941 /nfs/dbraw/zinc/39/79/41/309397941.db2.gz LDYMNMCDXAGNPU-IERDGZPVSA-N 2 0 327.516 3.423 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423393964 309398332 /nfs/dbraw/zinc/39/83/32/309398332.db2.gz ZBTPZTMDNAVDSO-GYSYKLTISA-N 2 0 329.257 3.249 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423406561 309398887 /nfs/dbraw/zinc/39/88/87/309398887.db2.gz YYSVYUUSWQOEGP-HNNXBMFYSA-N 2 0 340.467 3.336 20 0 EGADRP COCC1(C[NH2+][C@H]2C[C@H](C)Sc3sccc32)CC[NH2+]CC1 ZINC000423413090 309399061 /nfs/dbraw/zinc/39/90/61/309399061.db2.gz YAPMUBLYOIWYIH-JSGCOSHPSA-N 2 0 326.531 3.279 20 0 EGADRP Cc1ccc(NC(=O)c2ccc([C@H](C)[NH3+])cc2)c(OCC[NH+](C)C)c1 ZINC000423412007 309399170 /nfs/dbraw/zinc/39/91/70/309399170.db2.gz GSXJHLGMPJSHDO-HNNXBMFYSA-N 2 0 341.455 3.207 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423417835 309399437 /nfs/dbraw/zinc/39/94/37/309399437.db2.gz TVOARNUDWCGDJE-RTBURBONSA-N 2 0 343.515 3.093 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423422097 309399647 /nfs/dbraw/zinc/39/96/47/309399647.db2.gz CSBWXGBKCBKJSX-CHWSQXEVSA-N 2 0 335.883 3.397 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000423434418 309400268 /nfs/dbraw/zinc/40/02/68/309400268.db2.gz XXLQBOQYSDHVAV-FVQBIDKESA-N 2 0 345.466 3.131 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423455643 309401058 /nfs/dbraw/zinc/40/10/58/309401058.db2.gz MSVZKENSIMCSIO-MNOVXSKESA-N 2 0 332.229 3.069 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)C1 ZINC000423502931 309403249 /nfs/dbraw/zinc/40/32/49/309403249.db2.gz FRMNLKYZNHXHGJ-HLRQEUIKSA-N 2 0 341.543 3.375 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CO2 ZINC000423506006 309403603 /nfs/dbraw/zinc/40/36/03/309403603.db2.gz IGGYWXOJNJDJPO-HKUYNNGSSA-N 2 0 326.440 3.069 20 0 EGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423541736 309405869 /nfs/dbraw/zinc/40/58/69/309405869.db2.gz LQCYZWVFJWZLEI-TZDHZFECSA-N 2 0 335.289 3.414 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000423770931 309412059 /nfs/dbraw/zinc/41/20/59/309412059.db2.gz IKVQUKIQKLFOBG-SCLBCKFNSA-N 2 0 345.874 3.392 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)CC1CCCCC1 ZINC000424147588 309430889 /nfs/dbraw/zinc/43/08/89/309430889.db2.gz RSQKQABSOBDFJV-VQTJNVASSA-N 2 0 349.563 3.399 20 0 EGADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000425354913 309475473 /nfs/dbraw/zinc/47/54/73/309475473.db2.gz OEXAICGNTQPYST-STEAMIEHSA-N 2 0 334.529 3.279 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430917117 309620748 /nfs/dbraw/zinc/62/07/48/309620748.db2.gz CGBPVKSODYJJJE-FQEVSTJZSA-N 2 0 337.467 3.298 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000430918443 309620950 /nfs/dbraw/zinc/62/09/50/309620950.db2.gz MWFJTVXZPUYTQB-MNOVXSKESA-N 2 0 344.286 3.380 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000431055548 309624553 /nfs/dbraw/zinc/62/45/53/309624553.db2.gz YGJPTBYQACJOLS-UZLBHIALSA-N 2 0 343.515 3.093 20 0 EGADRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433153695 309680215 /nfs/dbraw/zinc/68/02/15/309680215.db2.gz QKKKXUIAZVGIFF-KRWDZBQOSA-N 2 0 337.895 3.111 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)cc1 ZINC000442756915 309886230 /nfs/dbraw/zinc/88/62/30/309886230.db2.gz LARHRMHVCUMVMH-IKGGRYGDSA-N 2 0 326.444 3.391 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442820944 309888434 /nfs/dbraw/zinc/88/84/34/309888434.db2.gz CIFAHRFQRAQULV-GMGZGELVSA-N 2 0 330.463 3.168 20 0 EGADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443991849 309911250 /nfs/dbraw/zinc/91/12/50/309911250.db2.gz WTXCQCLJSSHDGE-UHFFFAOYSA-N 2 0 332.419 3.286 20 0 EGADRP CC1(C)[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCO[C@@H]21 ZINC000447538830 309981308 /nfs/dbraw/zinc/98/13/08/309981308.db2.gz DLBIQWCYUJETDH-ZCNNSNEGSA-N 2 0 344.499 3.064 20 0 EGADRP COc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc2ccccc21 ZINC000449024761 310030371 /nfs/dbraw/zinc/03/03/71/310030371.db2.gz DOTBOBFGMZZDFU-UHFFFAOYSA-N 2 0 342.483 3.391 20 0 EGADRP CCOC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[nH]c1C ZINC000449084233 310035747 /nfs/dbraw/zinc/03/57/47/310035747.db2.gz XCVTUGXXKZOGIS-OAHLLOKOSA-N 2 0 335.492 3.244 20 0 EGADRP O[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000449094221 310036753 /nfs/dbraw/zinc/03/67/53/310036753.db2.gz RBGBIQASZPYOMQ-UHOSZYNNSA-N 2 0 336.907 3.098 20 0 EGADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449105919 310037593 /nfs/dbraw/zinc/03/75/93/310037593.db2.gz FUPHJRKNHITGFW-YIOZNXECSA-N 2 0 334.529 3.137 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCC2([NH+](C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472841 310065036 /nfs/dbraw/zinc/06/50/36/310065036.db2.gz GHZQQSKHCIXAFK-AZUAARDMSA-N 2 0 329.532 3.361 20 0 EGADRP FCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000449488024 310066245 /nfs/dbraw/zinc/06/62/45/310066245.db2.gz BUTGMAVSGKURBE-XUVXKRRUSA-N 2 0 346.490 3.253 20 0 EGADRP C[C@@H]1CN(Cc2cnc3ccccn23)CC[N@H+](Cc2ccccc2)C1 ZINC000449555032 310071631 /nfs/dbraw/zinc/07/16/31/310071631.db2.gz QIAKLRMIVJWZKJ-SFHVURJKSA-N 2 0 334.467 3.288 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000449738990 310083385 /nfs/dbraw/zinc/08/33/85/310083385.db2.gz HRRPJBISWQDTDP-UWHLTILDSA-N 2 0 328.500 3.038 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(OCC(C)C)c2)CC1 ZINC000449747433 310084019 /nfs/dbraw/zinc/08/40/19/310084019.db2.gz WVNVODQFTQZSSU-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)(C)C ZINC000453091930 310257300 /nfs/dbraw/zinc/25/73/00/310257300.db2.gz NGAZEMZCFLHPLI-GOSISDBHSA-N 2 0 333.520 3.282 20 0 EGADRP C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000453105619 310258191 /nfs/dbraw/zinc/25/81/91/310258191.db2.gz XKGZRURXNHKQJZ-BEFAXECRSA-N 2 0 335.923 3.407 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453110565 310258663 /nfs/dbraw/zinc/25/86/63/310258663.db2.gz QKBPHSQRUVJJQV-GBAJDQEWSA-N 2 0 339.527 3.256 20 0 EGADRP c1ccc2c(c1)CCC([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000453115579 310258826 /nfs/dbraw/zinc/25/88/26/310258826.db2.gz VAQDYPIHNSYSHT-KRWDZBQOSA-N 2 0 328.500 3.025 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000453132150 310259932 /nfs/dbraw/zinc/25/99/32/310259932.db2.gz XNUCPRXCFOLMPP-WOZUAGRISA-N 2 0 328.500 3.180 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453183615 310262956 /nfs/dbraw/zinc/26/29/56/310262956.db2.gz UTMXGPKBNVQXHE-BDTNDASRSA-N 3 0 339.527 3.281 20 0 EGADRP OC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453217843 310264701 /nfs/dbraw/zinc/26/47/01/310264701.db2.gz UWQHAGHNPHYLOF-ZCNNSNEGSA-N 2 0 328.500 3.324 20 0 EGADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C[NH+](C)C ZINC000453225824 310265260 /nfs/dbraw/zinc/26/52/60/310265260.db2.gz CBVLDGLWLOAXHN-PMXSJFBMSA-N 2 0 329.532 3.217 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H](C)C1 ZINC000453297663 310269719 /nfs/dbraw/zinc/26/97/19/310269719.db2.gz VEMBLAOPXDRCKP-ROUUACIJSA-N 2 0 333.520 3.086 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(C)c1 ZINC000453419987 310276207 /nfs/dbraw/zinc/27/62/07/310276207.db2.gz JYXKBSLCAGWNAG-KRWDZBQOSA-N 2 0 331.504 3.485 20 0 EGADRP C[N@H+](CCCC[NH2+]Cc1cc(O)ccc1Br)C1CC1 ZINC000453591649 310283384 /nfs/dbraw/zinc/28/33/84/310283384.db2.gz DDTZZRYAYWCONS-UHFFFAOYSA-N 2 0 327.266 3.119 20 0 EGADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000455855924 310379715 /nfs/dbraw/zinc/37/97/15/310379715.db2.gz NXSQOSVUDYSNJI-IFXJQAMLSA-N 2 0 342.487 3.007 20 0 EGADRP CC(C)[NH2+]C1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455895834 310381513 /nfs/dbraw/zinc/38/15/13/310381513.db2.gz DCIIBRHCQJRIIH-IBGZPJMESA-N 2 0 344.503 3.230 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455915669 310382158 /nfs/dbraw/zinc/38/21/58/310382158.db2.gz KNQRSPPYIVTENS-KXBFYZLASA-N 2 0 344.503 3.041 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455936482 310382852 /nfs/dbraw/zinc/38/28/52/310382852.db2.gz RZFZSOORVDXKTF-MJGOQNOKSA-N 2 0 344.503 3.184 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455946113 310383117 /nfs/dbraw/zinc/38/31/17/310383117.db2.gz WRMJNGRRBDNSLA-BEFAXECRSA-N 2 0 344.503 3.231 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CC[NH+](C4CC4)CC3)ccc21 ZINC000456344085 310399870 /nfs/dbraw/zinc/39/98/70/310399870.db2.gz ZTFOJDOXOPOPRJ-LJQANCHMSA-N 2 0 327.472 3.048 20 0 EGADRP CCCCn1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000459472299 310554976 /nfs/dbraw/zinc/55/49/76/310554976.db2.gz VVIYYTFCOYPXRI-UHFFFAOYSA-N 2 0 327.476 3.145 20 0 EGADRP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000462124915 310595909 /nfs/dbraw/zinc/59/59/09/310595909.db2.gz XTDMJCUZHJBYGN-SFHVURJKSA-N 2 0 338.923 3.344 20 0 EGADRP COC1(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCCC1 ZINC000483300725 310947226 /nfs/dbraw/zinc/94/72/26/310947226.db2.gz YPDKDSREJJRTMB-ROUUACIJSA-N 2 0 338.536 3.157 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000483688934 310954908 /nfs/dbraw/zinc/95/49/08/310954908.db2.gz DFWZUUCUKTUCQQ-OXQOHEQNSA-N 2 0 334.504 3.483 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C/C=C/c2ccncc2)cc1 ZINC000487260755 311018285 /nfs/dbraw/zinc/01/82/85/311018285.db2.gz ALTVVYVVZOHKKH-HWKANZROSA-N 2 0 325.456 3.215 20 0 EGADRP CC(C)[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000489340042 311101076 /nfs/dbraw/zinc/10/10/76/311101076.db2.gz NZYHOURQQBJDAR-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)cc1)C(C)C ZINC000489400070 311104240 /nfs/dbraw/zinc/10/42/40/311104240.db2.gz OUQMGKKRWMASLP-HXUWFJFHSA-N 2 0 345.531 3.329 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494660783 311500657 /nfs/dbraw/zinc/50/06/57/311500657.db2.gz YKBRLJBAVWYYGV-CABCVRRESA-N 2 0 327.513 3.142 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(N2CCOC2=O)c1 ZINC000496294717 311691499 /nfs/dbraw/zinc/69/14/99/311691499.db2.gz PATNJRORQREKBX-CQSZACIVSA-N 2 0 336.395 3.142 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000497867576 311870891 /nfs/dbraw/zinc/87/08/91/311870891.db2.gz KQJHDRIQHPILCN-ZACQAIPSSA-N 2 0 326.525 3.454 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@]2(C)CCCc3ccccc32)CC1 ZINC000501050345 311937084 /nfs/dbraw/zinc/93/70/84/311937084.db2.gz AIOPDBVGUAJJQM-NRFANRHFSA-N 2 0 329.532 3.244 20 0 EGADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507466010 312073513 /nfs/dbraw/zinc/07/35/13/312073513.db2.gz CBFGRXFUTHRWKL-KTIPNOMGSA-N 2 0 330.516 3.284 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1(C)C ZINC000507541180 312076665 /nfs/dbraw/zinc/07/66/65/312076665.db2.gz YIHLZSAJNQRMMU-UHZRXMQZSA-N 2 0 328.500 3.300 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714069 312100976 /nfs/dbraw/zinc/10/09/76/312100976.db2.gz GWDNDPFSPRVICJ-KCLUMXDGSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714076 312100981 /nfs/dbraw/zinc/10/09/81/312100981.db2.gz GWDNDPFSPRVICJ-VMXMFDLUSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000510419245 312140325 /nfs/dbraw/zinc/14/03/25/312140325.db2.gz FFZCVUADFMCJMW-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510542845 312142852 /nfs/dbraw/zinc/14/28/52/312142852.db2.gz CLHLHBVSCFDZMZ-LZLYRXPVSA-N 2 0 333.520 3.269 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510705823 312146416 /nfs/dbraw/zinc/14/64/16/312146416.db2.gz SJWNCRHAAQRCQU-OAHLLOKOSA-N 2 0 340.458 3.376 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511569633 312163085 /nfs/dbraw/zinc/16/30/85/312163085.db2.gz FYJVTPRKNUDYIC-HXUWFJFHSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000512677884 312192201 /nfs/dbraw/zinc/19/22/01/312192201.db2.gz MMEFBOUSLZOUSX-NPDDRXJXSA-N 2 0 341.543 3.281 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000513514081 312211914 /nfs/dbraw/zinc/21/19/14/312211914.db2.gz VXSZILKGGHJJGJ-UYWIDEMCSA-N 2 0 329.532 3.217 20 0 EGADRP C[C@@H]([NH2+]CCCc1cncn1C)c1ccc(-n2cccn2)c(F)c1 ZINC000517755010 312392435 /nfs/dbraw/zinc/39/24/35/312392435.db2.gz KNOFNLKQIVZTMZ-CQSZACIVSA-N 2 0 327.407 3.028 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000527873576 312963144 /nfs/dbraw/zinc/96/31/44/312963144.db2.gz PSQJDEJZMBNRQA-GIVPXCGWSA-N 2 0 330.516 3.365 20 0 EGADRP Fc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000530238913 313503592 /nfs/dbraw/zinc/50/35/92/313503592.db2.gz PRZUOFYKJKWSBB-MRXNPFEDSA-N 2 0 326.843 3.070 20 0 EGADRP C[C@H](C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1 ZINC000530411740 313532213 /nfs/dbraw/zinc/53/22/13/313532213.db2.gz ZZZNIULGXVXKIO-DENIHFKCSA-N 2 0 337.511 3.368 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536878760 314152223 /nfs/dbraw/zinc/15/22/23/314152223.db2.gz VEHYSUGLQBHSNS-OXQOHEQNSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]([NH2+]CCOc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000539019472 314290420 /nfs/dbraw/zinc/29/04/20/314290420.db2.gz BWZGZWQUMKTAAT-INIZCTEOSA-N 2 0 346.446 3.496 20 0 EGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cc[nH]c3)cc2)C[C@H]1C ZINC000539223338 314301528 /nfs/dbraw/zinc/30/15/28/314301528.db2.gz CXEJYIGNCUXXEB-HDICACEKSA-N 2 0 341.499 3.314 20 0 EGADRP CO[C@H](C)[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000539295219 314304888 /nfs/dbraw/zinc/30/48/88/314304888.db2.gz LWZDVWZKLLHOLB-AKHDSKFASA-N 2 0 348.531 3.209 20 0 EGADRP COC[C@@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)C ZINC000539394162 314311435 /nfs/dbraw/zinc/31/14/35/314311435.db2.gz JVVQGNUBYVERIB-ZWKOTPCHSA-N 2 0 332.488 3.235 20 0 EGADRP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCC[NH+]1CCCC1 ZINC000539881481 314348506 /nfs/dbraw/zinc/34/85/06/314348506.db2.gz BXEFHVCDTUIZPC-KRWDZBQOSA-N 2 0 325.884 3.358 20 0 EGADRP CCC[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000540520167 314386885 /nfs/dbraw/zinc/38/68/85/314386885.db2.gz OGOLDVWBGJMKCY-LEWJYISDSA-N 2 0 329.532 3.457 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000541741232 314484410 /nfs/dbraw/zinc/48/44/10/314484410.db2.gz KSCMAHGUEXBPIT-OXQOHEQNSA-N 2 0 333.520 3.292 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000542504300 314552165 /nfs/dbraw/zinc/55/21/65/314552165.db2.gz JSAFYODOBQETSI-IRXDYDNUSA-N 2 0 345.531 3.495 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000551210930 315145283 /nfs/dbraw/zinc/14/52/83/315145283.db2.gz CSCBRZRVVOAHMJ-ICSRJNTNSA-N 2 0 332.488 3.064 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000551750188 315166693 /nfs/dbraw/zinc/16/66/93/315166693.db2.gz WMOHPDHRYVOHJT-GOSISDBHSA-N 2 0 345.531 3.258 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214075 /nfs/dbraw/zinc/21/40/75/315214075.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 2 0 341.543 3.361 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000553987682 315292175 /nfs/dbraw/zinc/29/21/75/315292175.db2.gz QSTQJJODFPTMEU-SJORKVTESA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000554349139 315312163 /nfs/dbraw/zinc/31/21/63/315312163.db2.gz JYRJQYWSHRRGAQ-NHCUHLMSSA-N 2 0 329.532 3.363 20 0 EGADRP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCC[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000555022875 315362597 /nfs/dbraw/zinc/36/25/97/315362597.db2.gz RQEGLBIEZIIEIT-NCXUSEDFSA-N 2 0 326.525 3.155 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612255 315394345 /nfs/dbraw/zinc/39/43/45/315394345.db2.gz WFCKTFCDESQZRU-TZIWHRDSSA-N 2 0 329.532 3.363 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000555618847 315394789 /nfs/dbraw/zinc/39/47/89/315394789.db2.gz QKYPZQPPVNJGGM-IBGZPJMESA-N 2 0 334.479 3.381 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000558623962 315585239 /nfs/dbraw/zinc/58/52/39/315585239.db2.gz KLGMFNXRRCYCFG-FQEVSTJZSA-N 2 0 344.499 3.210 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000559683226 315642296 /nfs/dbraw/zinc/64/22/96/315642296.db2.gz RPJMVBFCEQBPQE-HZPDHXFCSA-N 2 0 349.494 3.420 20 0 EGADRP CC(C)CC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563842200 316077377 /nfs/dbraw/zinc/07/73/77/316077377.db2.gz OJXJKTYWVJWMJE-NJYVYQBISA-N 2 0 330.516 3.237 20 0 EGADRP CC[NH+](CC)CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000564552182 316166461 /nfs/dbraw/zinc/16/64/61/316166461.db2.gz DIBXZCBFXDVYHA-MJGOQNOKSA-N 2 0 348.535 3.017 20 0 EGADRP C[N@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000564968963 316239421 /nfs/dbraw/zinc/23/94/21/316239421.db2.gz LYJURHHAOIISPU-UHFFFAOYSA-N 2 0 338.430 3.459 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(CC[NH3+])CC3)n2)ccc1F ZINC000565366826 316315497 /nfs/dbraw/zinc/31/54/97/316315497.db2.gz WKVSHVLQNXMWDO-CYBMUJFWSA-N 2 0 332.423 3.306 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000565410150 316320750 /nfs/dbraw/zinc/32/07/50/316320750.db2.gz YEIJQQCCWXDDJE-RBUKOAKNSA-N 2 0 347.466 3.294 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000565955317 316393888 /nfs/dbraw/zinc/39/38/88/316393888.db2.gz YUZSSELQFPUONB-UHFFFAOYSA-N 2 0 330.451 3.189 20 0 EGADRP [NH3+]CCC1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000565957853 316394642 /nfs/dbraw/zinc/39/46/42/316394642.db2.gz TTZBQUYKAQGZNG-UHFFFAOYSA-N 2 0 325.456 3.229 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCCc3ccccc32)CC1 ZINC000565962740 316395437 /nfs/dbraw/zinc/39/54/37/316395437.db2.gz YZUYJCOLNXCEMC-NRFANRHFSA-N 2 0 329.532 3.412 20 0 EGADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000570153528 317014975 /nfs/dbraw/zinc/01/49/75/317014975.db2.gz LPRWLHKCPJHSPQ-LPTQZCDUSA-N 2 0 336.483 3.341 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570632930 317084238 /nfs/dbraw/zinc/08/42/38/317084238.db2.gz LNVFRWGWCYRHIM-AEFFLSMTSA-N 2 0 343.515 3.459 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000570714014 317097637 /nfs/dbraw/zinc/09/76/37/317097637.db2.gz FIFBMCIDQUFUEZ-AABGKKOBSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000570895328 317122656 /nfs/dbraw/zinc/12/26/56/317122656.db2.gz QEMDQPROZBXOAV-AVRDEDQJSA-N 2 0 341.543 3.337 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000571526896 317212522 /nfs/dbraw/zinc/21/25/22/317212522.db2.gz NDSYIWIKNRWPIC-MAUKXSAKSA-N 2 0 349.544 3.102 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]2CCCc2ccccc2)n1 ZINC000572294970 317317330 /nfs/dbraw/zinc/31/73/30/317317330.db2.gz OQMPUMCKBPFHFV-MRXNPFEDSA-N 2 0 328.460 3.251 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+]CCC3CCCCCC3)ccn2)CC1 ZINC000572682780 317374142 /nfs/dbraw/zinc/37/41/42/317374142.db2.gz VJWOYEJZXJDLCG-UHFFFAOYSA-N 2 0 330.520 3.284 20 0 EGADRP C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000572713922 317379681 /nfs/dbraw/zinc/37/96/81/317379681.db2.gz MNMSTTAELRETTP-CQSZACIVSA-N 2 0 341.503 3.420 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N1CC(C)C1 ZINC000572828050 317397098 /nfs/dbraw/zinc/39/70/98/317397098.db2.gz YQYKMQGNEISPHW-QGZVFWFLSA-N 2 0 329.488 3.197 20 0 EGADRP C[C@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000573625767 317511053 /nfs/dbraw/zinc/51/10/53/317511053.db2.gz QQPMNNWQAVFFEX-HXUWFJFHSA-N 2 0 343.559 3.404 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000574630337 317618995 /nfs/dbraw/zinc/61/89/95/317618995.db2.gz STNDYIYNLPPULR-FBBABVLZSA-N 2 0 344.499 3.021 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000177902075 323347413 /nfs/dbraw/zinc/34/74/13/323347413.db2.gz VLGQSQYHWCALLZ-DVOMOZLQSA-N 2 0 330.394 3.403 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(I)cc1)C[NH+](C)C ZINC000383753547 324257818 /nfs/dbraw/zinc/25/78/18/324257818.db2.gz CNLHPHQKFGTENX-RYUDHWBXSA-N 2 0 346.256 3.140 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000392247589 324288341 /nfs/dbraw/zinc/28/83/41/324288341.db2.gz RKIICBITGBJOBG-UHFFFAOYSA-N 2 0 340.471 3.233 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CCC(C)C)CC2)cc1 ZINC000575981390 324521469 /nfs/dbraw/zinc/52/14/69/324521469.db2.gz KSGBNROFMJCYKY-FQEVSTJZSA-N 2 0 348.531 3.294 20 0 EGADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCOCC[NH+](C)C)CCCO2 ZINC000576341284 324595534 /nfs/dbraw/zinc/59/55/34/324595534.db2.gz YNLITNKPWGFCTO-MRXNPFEDSA-N 2 0 326.868 3.030 20 0 EGADRP [NH3+]CCC1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000315812420 456610031 /nfs/dbraw/zinc/61/00/31/456610031.db2.gz RLAADGYYCCVYCC-UHFFFAOYSA-N 2 0 344.286 3.383 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578738854 325011198 /nfs/dbraw/zinc/01/11/98/325011198.db2.gz GUMUIDVDMDMAFT-OAUYIBNBSA-N 2 0 335.879 3.035 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CCCCC[C@H]3[NH3+])cc2)n1 ZINC000579700024 325146832 /nfs/dbraw/zinc/14/68/32/325146832.db2.gz IDKUOJGQNROZQV-SJORKVTESA-N 2 0 328.460 3.091 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000579715143 325149796 /nfs/dbraw/zinc/14/97/96/325149796.db2.gz QOJPSTRBBJRNGY-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)n1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000580118390 325205530 /nfs/dbraw/zinc/20/55/30/325205530.db2.gz DZKWDAWGRNQUAA-IEBWSBKVSA-N 2 0 341.503 3.249 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCCC[NH2+]3)cc2)C1 ZINC000580314847 325233915 /nfs/dbraw/zinc/23/39/15/325233915.db2.gz KWEZNMQAXAXQBV-LPHOPBHVSA-N 2 0 329.488 3.389 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000580659439 325280327 /nfs/dbraw/zinc/28/03/27/325280327.db2.gz SNEKSFVDQFVBTD-QFBILLFUSA-N 2 0 329.488 3.395 20 0 EGADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1Br ZINC000581051469 325324094 /nfs/dbraw/zinc/32/40/94/325324094.db2.gz DYENMJUVBWZGCN-HNNXBMFYSA-N 2 0 329.282 3.068 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000581296750 325349926 /nfs/dbraw/zinc/34/99/26/325349926.db2.gz HVMIOJFYVONCRH-OAHLLOKOSA-N 2 0 343.471 3.072 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)CCC2 ZINC000581548999 325370869 /nfs/dbraw/zinc/37/08/69/325370869.db2.gz JYKMMXMHZABTLN-MRXNPFEDSA-N 2 0 342.439 3.391 20 0 EGADRP CCc1ncc(CN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)o1 ZINC000581926150 325399335 /nfs/dbraw/zinc/39/93/35/325399335.db2.gz NDOAWAZFIWGOSL-KRWDZBQOSA-N 2 0 341.455 3.315 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000582251698 325426668 /nfs/dbraw/zinc/42/66/68/325426668.db2.gz DNZJPOXIJKSWPA-HZSPNIEDSA-N 2 0 328.287 3.432 20 0 EGADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1OCC(F)(F)F ZINC000582729455 325465298 /nfs/dbraw/zinc/46/52/98/325465298.db2.gz DSUOLIWHHPMGCG-UHFFFAOYSA-N 2 0 346.393 3.197 20 0 EGADRP C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000157702628 455222565 /nfs/dbraw/zinc/22/25/65/455222565.db2.gz GHTDDUBFGSAVHU-QSFXBCCZSA-N 2 0 332.488 3.235 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157797429 455233414 /nfs/dbraw/zinc/23/34/14/455233414.db2.gz NDSRSEUAHLMYCC-ZTNFWEORSA-N 2 0 332.488 3.235 20 0 EGADRP c1cnn(CCC[NH2+][C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183127460 455234394 /nfs/dbraw/zinc/23/43/94/455234394.db2.gz LCJDYTFVAIFSAG-NJYVYQBISA-N 2 0 338.499 3.164 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183142974 455237678 /nfs/dbraw/zinc/23/76/78/455237678.db2.gz SKPGUEGSSUGADX-ZDUSSCGKSA-N 2 0 330.398 3.023 20 0 EGADRP Fc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000530241311 458727175 /nfs/dbraw/zinc/72/71/75/458727175.db2.gz PYLYKGJTFNOOPW-HNNXBMFYSA-N 2 0 326.843 3.070 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238061624 455249814 /nfs/dbraw/zinc/24/98/14/455249814.db2.gz TZILKRVBMQNEJI-SFHVURJKSA-N 2 0 327.472 3.001 20 0 EGADRP Cn1c(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc2c1cccc2F ZINC000180862756 455257547 /nfs/dbraw/zinc/25/75/47/455257547.db2.gz FFBRJYQBVDGGQE-UHFFFAOYSA-N 2 0 332.467 3.107 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)[C@]2(C)CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000181006378 455275591 /nfs/dbraw/zinc/27/55/91/455275591.db2.gz LXGUEJDYJWISKE-CUWPLCDZSA-N 2 0 343.515 3.030 20 0 EGADRP COc1cccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)co2)c1 ZINC000631827527 460574676 /nfs/dbraw/zinc/57/46/76/460574676.db2.gz PXSOYERAOZXOQO-LJQANCHMSA-N 2 0 341.455 3.314 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)CCO2 ZINC000181411974 455331610 /nfs/dbraw/zinc/33/16/10/455331610.db2.gz KGDDLVGSPBJYSN-YSSFQJQWSA-N 2 0 344.499 3.040 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000245578580 455334034 /nfs/dbraw/zinc/33/40/34/455334034.db2.gz IFJGYOACTYKONB-IEZWGBDMSA-N 2 0 340.471 3.410 20 0 EGADRP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000159109645 455353053 /nfs/dbraw/zinc/35/30/53/455353053.db2.gz XQVASTMOPKIFQJ-IBGZPJMESA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000066410500 453842572 /nfs/dbraw/zinc/84/25/72/453842572.db2.gz OOQDFHJKCSERPK-MSOLQXFVSA-N 2 0 343.515 3.275 20 0 EGADRP CNC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000066871770 453882764 /nfs/dbraw/zinc/88/27/64/453882764.db2.gz AUSFBUJJJQPHNE-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC000075840704 453930621 /nfs/dbraw/zinc/93/06/21/453930621.db2.gz DIDQTPFYARFVFJ-KRWDZBQOSA-N 2 0 343.515 3.162 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000041822715 453980349 /nfs/dbraw/zinc/98/03/49/453980349.db2.gz XAMFOBMDOQIHAS-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669475 454175630 /nfs/dbraw/zinc/17/56/30/454175630.db2.gz PKAAOJGSUNCPFC-INMHGKMJSA-N 2 0 344.528 3.456 20 0 EGADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)c1 ZINC000089728238 454184091 /nfs/dbraw/zinc/18/40/91/454184091.db2.gz IPWJNCOUKFAHGY-HZPDHXFCSA-N 2 0 346.862 3.149 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000130457580 454199489 /nfs/dbraw/zinc/19/94/89/454199489.db2.gz QJGGTJFRWCZDOY-UHFFFAOYSA-N 2 0 334.851 3.114 20 0 EGADRP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000131198912 454241057 /nfs/dbraw/zinc/24/10/57/454241057.db2.gz TUMWAYFLSHKPQR-INIZCTEOSA-N 2 0 329.488 3.341 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000120002708 454246318 /nfs/dbraw/zinc/24/63/18/454246318.db2.gz ZTGNKTGXLZNURJ-XJKCOSOUSA-N 2 0 330.394 3.446 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1Cl ZINC000046438913 454252394 /nfs/dbraw/zinc/25/23/94/454252394.db2.gz ZHUCVNLPHXFGPN-UHFFFAOYSA-N 2 0 340.899 3.077 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044596 454265656 /nfs/dbraw/zinc/26/56/56/454265656.db2.gz BHOXZBXGJFLTEO-IJEWVQPXSA-N 2 0 330.501 3.066 20 0 EGADRP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038710 454265997 /nfs/dbraw/zinc/26/59/97/454265997.db2.gz GYTOBBALUNGYOJ-KRWDZBQOSA-N 2 0 331.504 3.203 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090526176 454317060 /nfs/dbraw/zinc/31/70/60/454317060.db2.gz NDDCKNQXOLCNQU-XPGWFJOJSA-N 2 0 332.488 3.114 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2ccc(OCC)c(OCC)c2)CC1 ZINC000120580692 454322264 /nfs/dbraw/zinc/32/22/64/454322264.db2.gz ICXGGNMSKZIDJE-UHFFFAOYSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](O)Cc1ccccc1 ZINC000090655763 454332074 /nfs/dbraw/zinc/33/20/74/454332074.db2.gz VKEFSOGDFAFJJF-UTKZUKDTSA-N 2 0 330.516 3.365 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@H](C)C1 ZINC000120672449 454332703 /nfs/dbraw/zinc/33/27/03/454332703.db2.gz HWMVMJJKUKOYOI-MJGOQNOKSA-N 2 0 332.488 3.220 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091317602 454426410 /nfs/dbraw/zinc/42/64/10/454426410.db2.gz QZYQEVOMDFAFTF-FQEVSTJZSA-N 2 0 334.504 3.483 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121416366 454432768 /nfs/dbraw/zinc/43/27/68/454432768.db2.gz DNCOKJSXBHMPMG-SJORKVTESA-N 2 0 344.503 3.119 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000121423995 454433376 /nfs/dbraw/zinc/43/33/76/454433376.db2.gz VEWQYDFAAFIBEO-ZIAGYGMSSA-N 2 0 348.878 3.488 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000063755981 454444080 /nfs/dbraw/zinc/44/40/80/454444080.db2.gz DXXXCLQVWRNALE-ROUUACIJSA-N 2 0 345.531 3.123 20 0 EGADRP Cc1cnccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000121560367 454452547 /nfs/dbraw/zinc/45/25/47/454452547.db2.gz BXMSHAOWKXWALA-QGZVFWFLSA-N 2 0 330.476 3.366 20 0 EGADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564563 454499109 /nfs/dbraw/zinc/49/91/09/454499109.db2.gz OVCJAUXQZMLRGP-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000104143953 454576969 /nfs/dbraw/zinc/57/69/69/454576969.db2.gz ZQSSZIBWRLHWSX-IBGZPJMESA-N 2 0 329.488 3.485 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122909783 454580996 /nfs/dbraw/zinc/58/09/96/454580996.db2.gz FTQATQNSVVLSTP-UXHICEINSA-N 2 0 329.532 3.186 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000092745630 454623984 /nfs/dbraw/zinc/62/39/84/454623984.db2.gz FWWRSBFNHVEAPD-HNNXBMFYSA-N 2 0 331.435 3.402 20 0 EGADRP OCC[NH2+]C1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000635002382 460646707 /nfs/dbraw/zinc/64/67/07/460646707.db2.gz OPDWZPUSANSGDP-UHFFFAOYSA-N 2 0 344.421 3.074 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000052208897 454660670 /nfs/dbraw/zinc/66/06/70/454660670.db2.gz QQXSBJZBMINWMW-HDICACEKSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cnn1-c1ccc(F)cc1 ZINC000635008411 460651917 /nfs/dbraw/zinc/65/19/17/460651917.db2.gz UBTKHRMDYPGAMQ-QRTARXTBSA-N 2 0 330.451 3.488 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F)CN1CCOCC1 ZINC000153136854 454763725 /nfs/dbraw/zinc/76/37/25/454763725.db2.gz XZPWTOQPNWTHEN-KGLIPLIRSA-N 2 0 346.393 3.204 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000162511244 454780262 /nfs/dbraw/zinc/78/02/62/454780262.db2.gz QCPIFVALFKYAFE-SFHVURJKSA-N 2 0 338.499 3.037 20 0 EGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162510184 454780446 /nfs/dbraw/zinc/78/04/46/454780446.db2.gz XYULVLGTGFZACL-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010458 460654223 /nfs/dbraw/zinc/65/42/23/460654223.db2.gz LSNZCLGSRVBDMM-WZONZLPQSA-N 3 0 349.522 3.333 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000153585627 454809466 /nfs/dbraw/zinc/80/94/66/454809466.db2.gz ZCFREHLRPSYVGJ-KPFFTGBYSA-N 2 0 329.532 3.407 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000111635213 454870203 /nfs/dbraw/zinc/87/02/03/454870203.db2.gz YQBSNKIHDZUDQE-FUHWJXTLSA-N 2 0 331.504 3.106 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000154261120 454879224 /nfs/dbraw/zinc/87/92/24/454879224.db2.gz WIOZGLZBSRBISV-INIZCTEOSA-N 2 0 335.561 3.305 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164731081 454887976 /nfs/dbraw/zinc/88/79/76/454887976.db2.gz DJBWIJHCZMIBBA-UXHICEINSA-N 2 0 343.515 3.196 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164731433 454888058 /nfs/dbraw/zinc/88/80/58/454888058.db2.gz DJBWIJHCZMIBBA-VQTJNVASSA-N 2 0 343.515 3.196 20 0 EGADRP CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000126492983 454898313 /nfs/dbraw/zinc/89/83/13/454898313.db2.gz GZOXZPIIWUFIFE-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126684465 454911190 /nfs/dbraw/zinc/91/11/90/454911190.db2.gz UXMQOVFLIQUUMT-WZONZLPQSA-N 2 0 349.522 3.457 20 0 EGADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000168769052 454927648 /nfs/dbraw/zinc/92/76/48/454927648.db2.gz IPBJICYMUUFOEE-MOPGFXCFSA-N 2 0 347.503 3.253 20 0 EGADRP CC(C)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000170643241 454946813 /nfs/dbraw/zinc/94/68/13/454946813.db2.gz NEDBZHLJGGJAGS-UHFFFAOYSA-N 2 0 347.528 3.047 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000127394859 454960846 /nfs/dbraw/zinc/96/08/46/454960846.db2.gz MORRJAWMFLHJTO-YOEHRIQHSA-N 2 0 339.911 3.025 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H](C)C1 ZINC000151313729 454966852 /nfs/dbraw/zinc/96/68/52/454966852.db2.gz IBJZYJLXFTWBGV-YLJYHZDGSA-N 2 0 343.515 3.437 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000127665796 454985892 /nfs/dbraw/zinc/98/58/92/454985892.db2.gz WDJDABOHTYAILI-VXGBXAGGSA-N 2 0 348.293 3.419 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336527 454988545 /nfs/dbraw/zinc/98/85/45/454988545.db2.gz LEOYXLUAGKQLLP-FFZOFVMBSA-N 2 0 343.515 3.157 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2oc3ccccc3c2C)CC1 ZINC000155610737 455022100 /nfs/dbraw/zinc/02/21/00/455022100.db2.gz IHAGAJGBQPAJDT-DOTOQJQBSA-N 2 0 329.488 3.418 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000155666865 455029367 /nfs/dbraw/zinc/02/93/67/455029367.db2.gz OTYOGRUYKVNOAZ-KSSFIOAISA-N 2 0 325.447 3.032 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000171126998 455033207 /nfs/dbraw/zinc/03/32/07/455033207.db2.gz SHEFBWDJWFFMIP-HNNXBMFYSA-N 2 0 326.440 3.370 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128341001 455047518 /nfs/dbraw/zinc/04/75/18/455047518.db2.gz KYGXEZZPRDOJHJ-KRWDZBQOSA-N 2 0 335.561 3.477 20 0 EGADRP COCCC[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000151928044 455050335 /nfs/dbraw/zinc/05/03/35/455050335.db2.gz XWAPBKIPHCIUHZ-MRXNPFEDSA-N 2 0 343.309 3.458 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000119023898 455120647 /nfs/dbraw/zinc/12/06/47/455120647.db2.gz CGYOYHVNNZJCSJ-WMZOPIPTSA-N 2 0 344.499 3.199 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000157043617 455162774 /nfs/dbraw/zinc/16/27/74/455162774.db2.gz LTTIVWBAKJBFRC-IRXDYDNUSA-N 2 0 333.520 3.150 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000623657044 460665743 /nfs/dbraw/zinc/66/57/43/460665743.db2.gz ISPVIAZFTJJGLB-ZDUSSCGKSA-N 2 0 334.414 3.176 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000237277264 455167903 /nfs/dbraw/zinc/16/79/03/455167903.db2.gz YKKCLJWIWROTEV-IBGZPJMESA-N 2 0 337.467 3.257 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237350840 455176333 /nfs/dbraw/zinc/17/63/33/455176333.db2.gz FTSGHTLCFJWWDR-MRXNPFEDSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237354767 455177642 /nfs/dbraw/zinc/17/76/42/455177642.db2.gz NQFFHCQCSUMTTI-APWZRJJASA-N 2 0 341.499 3.389 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157416879 455192650 /nfs/dbraw/zinc/19/26/50/455192650.db2.gz DUZODLZHFLWNPM-SFHVURJKSA-N 2 0 332.488 3.414 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000237686689 455207540 /nfs/dbraw/zinc/20/75/40/455207540.db2.gz NSIGFCGJVXGQNV-CALCHBBNSA-N 2 0 343.515 3.052 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189502448 455208005 /nfs/dbraw/zinc/20/80/05/455208005.db2.gz KQCPINOZHZPUAR-UHFFFAOYSA-N 2 0 332.357 3.007 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158578901 455313838 /nfs/dbraw/zinc/31/38/38/455313838.db2.gz PHTDLBFTNSHXSK-IYBDPMFKSA-N 2 0 331.495 3.064 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513658 455318049 /nfs/dbraw/zinc/31/80/49/455318049.db2.gz DHIWXUQYFYOQBM-AZUAARDMSA-N 2 0 332.488 3.018 20 0 EGADRP CCS[C@@H](C)c1noc(CN2CCC[C@@H](Cc3nccn3C)C2)n1 ZINC000245629749 455344603 /nfs/dbraw/zinc/34/46/03/455344603.db2.gz PVHKTYYHOATRTF-KBPBESRZSA-N 2 0 349.504 3.072 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245914194 455398764 /nfs/dbraw/zinc/39/87/64/455398764.db2.gz GEXIHEOEHWKLBY-IXDOHACOSA-N 2 0 339.524 3.001 20 0 EGADRP Cn1cc([C@@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000245935659 455403252 /nfs/dbraw/zinc/40/32/52/455403252.db2.gz JBEYWMAYBHFQRW-QRVBRYPASA-N 2 0 330.451 3.111 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182262002 455475762 /nfs/dbraw/zinc/47/57/62/455475762.db2.gz BCOXCTJOCGGHFI-YJBOKZPZSA-N 2 0 336.545 3.263 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246837699 455529250 /nfs/dbraw/zinc/52/92/50/455529250.db2.gz OONSCMPWWAHJJJ-QBYKVAOYSA-N 2 0 347.547 3.019 20 0 EGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000185253632 455530188 /nfs/dbraw/zinc/53/01/88/455530188.db2.gz HJEWXOWKZKAKIC-SJLPKXTDSA-N 2 0 334.479 3.431 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000246941215 455537437 /nfs/dbraw/zinc/53/74/37/455537437.db2.gz HRMJPOQQLSFYDC-IAGOWNOFSA-N 2 0 345.487 3.414 20 0 EGADRP C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000247082870 455556408 /nfs/dbraw/zinc/55/64/08/455556408.db2.gz XCAVNXLTZZSUEY-ROUUACIJSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000247085101 455557788 /nfs/dbraw/zinc/55/77/88/455557788.db2.gz WAOBUVXLJVAVKW-GIVPXCGWSA-N 2 0 330.516 3.176 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000247138902 455564535 /nfs/dbraw/zinc/56/45/35/455564535.db2.gz WBGGPKDBIBWELF-ZSXPUABSSA-N 2 0 329.532 3.450 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000247136504 455564667 /nfs/dbraw/zinc/56/46/67/455564667.db2.gz VYQPNRQNOZBJID-QFBILLFUSA-N 3 0 335.561 3.280 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)[C@H](C)C1 ZINC000247136904 455565217 /nfs/dbraw/zinc/56/52/17/455565217.db2.gz AXCLYWWUJPNTPV-NEWSRXKRSA-N 2 0 333.495 3.423 20 0 EGADRP Cc1nc(C)c(C)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000192227035 455577314 /nfs/dbraw/zinc/57/73/14/455577314.db2.gz MCSSURPWIBDLQO-IBGZPJMESA-N 2 0 340.471 3.105 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000182762983 455582848 /nfs/dbraw/zinc/58/28/48/455582848.db2.gz ZGICNFQDFYOXQK-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000247301635 455585237 /nfs/dbraw/zinc/58/52/37/455585237.db2.gz FKXLUVMPFKAILF-LNLFQRSKSA-N 2 0 340.471 3.410 20 0 EGADRP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247396529 455595350 /nfs/dbraw/zinc/59/53/50/455595350.db2.gz QWDJIDVLYPCDOF-VQIMIIECSA-N 2 0 337.458 3.128 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000185878034 455640937 /nfs/dbraw/zinc/64/09/37/455640937.db2.gz WQEZVGLTQQNWTJ-CYBMUJFWSA-N 2 0 330.303 3.109 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n(C)n1 ZINC000284218587 455652965 /nfs/dbraw/zinc/65/29/65/455652965.db2.gz HDLBQSKTDJZKTL-HLAWJBBLSA-N 2 0 338.499 3.119 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000247965390 455661290 /nfs/dbraw/zinc/66/12/90/455661290.db2.gz GSHHFJSQFQDGDL-PIKADFDJSA-N 2 0 332.488 3.091 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000247965392 455661899 /nfs/dbraw/zinc/66/18/99/455661899.db2.gz GSHHFJSQFQDGDL-WQANXHIZSA-N 2 0 332.488 3.091 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248025858 455672136 /nfs/dbraw/zinc/67/21/36/455672136.db2.gz OZZGCGKUYLXBBK-VWKPWSFCSA-N 2 0 340.515 3.367 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000192781082 455691000 /nfs/dbraw/zinc/69/10/00/455691000.db2.gz RADLVGQVYTWAEP-UHFFFAOYSA-N 2 0 341.902 3.327 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)c2ccc(F)c(F)c2)CC1 ZINC000192789424 455694061 /nfs/dbraw/zinc/69/40/61/455694061.db2.gz WSCPZRVUOLNKAT-UHFFFAOYSA-N 2 0 339.474 3.206 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc3cccnc32)CCCO1 ZINC000277905660 455703500 /nfs/dbraw/zinc/70/35/00/455703500.db2.gz PEOGWZDYAZMFNJ-OAHLLOKOSA-N 2 0 347.890 3.479 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000186152132 455703563 /nfs/dbraw/zinc/70/35/63/455703563.db2.gz QXTAKKYMRYWBNB-UZLBHIALSA-N 2 0 329.532 3.154 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000192840068 455704444 /nfs/dbraw/zinc/70/44/44/455704444.db2.gz QZYPJHJRHOSFGU-FGZHOGPDSA-N 2 0 343.559 3.404 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccnc1 ZINC000186197155 455713661 /nfs/dbraw/zinc/71/36/61/455713661.db2.gz WGTXMJIUHLXLNN-SFHVURJKSA-N 2 0 328.460 3.048 20 0 EGADRP COc1ccc(OC(F)F)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192951548 455724891 /nfs/dbraw/zinc/72/48/91/455724891.db2.gz LHMBIECEUQQZPV-AGUYFDCRSA-N 2 0 326.387 3.011 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000284849677 455753320 /nfs/dbraw/zinc/75/33/20/455753320.db2.gz CPPRZGSOQJGLGW-UHFFFAOYSA-N 2 0 343.515 3.020 20 0 EGADRP C[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000269011601 455762572 /nfs/dbraw/zinc/76/25/72/455762572.db2.gz XPXHTNBTUXVCJX-KRWDZBQOSA-N 2 0 334.504 3.220 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2([S@@](C)=O)CCC2)CC1 ZINC000284952687 455766421 /nfs/dbraw/zinc/76/64/21/455766421.db2.gz FFKJUKXEMASJOF-RGELYXPASA-N 2 0 348.556 3.320 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000269037408 455771295 /nfs/dbraw/zinc/77/12/95/455771295.db2.gz FSNAXBDXKXJAIQ-HOTGVXAUSA-N 2 0 338.492 3.020 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000186587073 455799764 /nfs/dbraw/zinc/79/97/64/455799764.db2.gz XTKQYIDKPOOSBD-KGLIPLIRSA-N 2 0 327.875 3.156 20 0 EGADRP COC[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000285234261 455809386 /nfs/dbraw/zinc/80/93/86/455809386.db2.gz PKEOAXKWLUCPFG-VFUGHAIPSA-N 2 0 346.515 3.213 20 0 EGADRP COC[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000285234256 455809397 /nfs/dbraw/zinc/80/93/97/455809397.db2.gz PKEOAXKWLUCPFG-TZWRJOPASA-N 2 0 346.515 3.213 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617001265 460697473 /nfs/dbraw/zinc/69/74/73/460697473.db2.gz LIGYQYGCKCUMKM-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCCc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000187307095 455893221 /nfs/dbraw/zinc/89/32/21/455893221.db2.gz KOYDULNLWOPLHF-LEWJYISDSA-N 2 0 330.516 3.497 20 0 EGADRP CCC[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272271694 455898319 /nfs/dbraw/zinc/89/83/19/455898319.db2.gz BOGPRVJTUZIYGO-UYAOXDASSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000187391044 455904283 /nfs/dbraw/zinc/90/42/83/455904283.db2.gz XBSOCUFGTYRILH-UWJYYQICSA-N 2 0 348.494 3.226 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261619807 455914724 /nfs/dbraw/zinc/91/47/24/455914724.db2.gz DELGFZGFCCGVCQ-LEWJYISDSA-N 2 0 332.451 3.107 20 0 EGADRP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CC[NH2+]CC1 ZINC000261640461 455920315 /nfs/dbraw/zinc/92/03/15/455920315.db2.gz AGBKGBWCXMHSJS-UHFFFAOYSA-N 2 0 348.878 3.200 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000261693562 455928542 /nfs/dbraw/zinc/92/85/42/455928542.db2.gz BOTAQXFGYKQTMJ-UHFFFAOYSA-N 2 0 330.501 3.069 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261708745 455932688 /nfs/dbraw/zinc/93/26/88/455932688.db2.gz KXZSDTZYUSUINI-GXTWGEPZSA-N 2 0 328.403 3.246 20 0 EGADRP FC(F)(F)c1cccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000261715165 455933079 /nfs/dbraw/zinc/93/30/79/455933079.db2.gz QCFUMVOLOPRVAV-HNNXBMFYSA-N 2 0 341.421 3.217 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000195250534 455937521 /nfs/dbraw/zinc/93/75/21/455937521.db2.gz GTIFCXPLEMSPQN-GASCZTMLSA-N 2 0 342.430 3.267 20 0 EGADRP CCOC(=O)N1CCC([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000187698740 455940645 /nfs/dbraw/zinc/94/06/45/455940645.db2.gz ZXXGZYCKUFCHCK-HNNXBMFYSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261803328 455950786 /nfs/dbraw/zinc/95/07/86/455950786.db2.gz OHPFATYGLDUXCC-FQEVSTJZSA-N 2 0 326.488 3.027 20 0 EGADRP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000280387627 455960989 /nfs/dbraw/zinc/96/09/89/455960989.db2.gz USFRKFKNDCGHBH-ACRUOGEOSA-N 2 0 330.516 3.394 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000261967490 455978541 /nfs/dbraw/zinc/97/85/41/455978541.db2.gz BRJYAAHCSGVSLL-UHFFFAOYSA-N 2 0 339.483 3.490 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000262007156 455985372 /nfs/dbraw/zinc/98/53/72/455985372.db2.gz RWMGPHFKTGVMCG-AWEZNQCLSA-N 2 0 335.517 3.057 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000296615123 455988955 /nfs/dbraw/zinc/98/89/55/455988955.db2.gz ZLFPCOJLDHVYBO-FQEVSTJZSA-N 2 0 339.483 3.151 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000272553517 455991885 /nfs/dbraw/zinc/99/18/85/455991885.db2.gz MJWPBTLBFMQSTR-HNNXBMFYSA-N 2 0 331.460 3.026 20 0 EGADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623756863 460706256 /nfs/dbraw/zinc/70/62/56/460706256.db2.gz IFCOJHQICUSHHH-PMPSAXMXSA-N 2 0 337.870 3.274 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262199599 456011201 /nfs/dbraw/zinc/01/12/01/456011201.db2.gz UVHZRNRBTCELFA-UXPWSPDFSA-N 2 0 343.515 3.064 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668544 456033562 /nfs/dbraw/zinc/03/35/62/456033562.db2.gz OVGFCDFZZOJCOS-OYNPSCLESA-N 2 0 327.516 3.113 20 0 EGADRP C[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000262449844 456036545 /nfs/dbraw/zinc/03/65/45/456036545.db2.gz HSFPDOUXNXQPSX-RYUDHWBXSA-N 2 0 344.286 3.239 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000270842219 456051605 /nfs/dbraw/zinc/05/16/05/456051605.db2.gz VTUIYPCHGYGMOJ-HRQSHJORSA-N 2 0 328.500 3.231 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1 ZINC000263066497 456086304 /nfs/dbraw/zinc/08/63/04/456086304.db2.gz VZWVDTOUBKJHOZ-QWFCFKBJSA-N 2 0 331.504 3.093 20 0 EGADRP Fc1ccc2c(c1)[nH+]ccc2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000301440436 456116844 /nfs/dbraw/zinc/11/68/44/456116844.db2.gz VDGJEOBPZNKZIQ-UHFFFAOYSA-N 2 0 343.446 3.455 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)/C=C/C[NH+](C)C)c2)CC1 ZINC000271263700 456196713 /nfs/dbraw/zinc/19/67/13/456196713.db2.gz LEMOJMMNLURUPD-VMPITWQZSA-N 2 0 329.488 3.017 20 0 EGADRP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2cnn(C)c2)c1 ZINC000289969488 456201061 /nfs/dbraw/zinc/20/10/61/456201061.db2.gz ZHJQVLBFIWATPO-YOFSQIOKSA-N 2 0 338.499 3.453 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000273187564 456206308 /nfs/dbraw/zinc/20/63/08/456206308.db2.gz GBBIRZBAJGVNJX-KZNAEPCWSA-N 2 0 334.504 3.483 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000281446082 456236752 /nfs/dbraw/zinc/23/67/52/456236752.db2.gz SLKXEUKOLRZWIL-OXJNMPFZSA-N 2 0 326.488 3.383 20 0 EGADRP Cc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c2cc(F)ccc2[nH+]1 ZINC000333643039 456244680 /nfs/dbraw/zinc/24/46/80/456244680.db2.gz IPFPWMNKLNCNTF-FXAWDEMLSA-N 2 0 343.446 3.405 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189185067 456248410 /nfs/dbraw/zinc/24/84/10/456248410.db2.gz OIBNLZUKTHQWRH-NJDAHSKKSA-N 2 0 330.516 3.224 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333787175 456263101 /nfs/dbraw/zinc/26/31/01/456263101.db2.gz FOACYHHOBDXKIJ-WORKWWGUSA-N 2 0 331.548 3.040 20 0 EGADRP COc1ncccc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290204593 456266552 /nfs/dbraw/zinc/26/65/52/456266552.db2.gz PJZIBBCKSXHDRD-FXAWDEMLSA-N 2 0 339.483 3.275 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000302023846 456271105 /nfs/dbraw/zinc/27/11/05/456271105.db2.gz GYJKEDANARTUAJ-HNNXBMFYSA-N 2 0 326.488 3.153 20 0 EGADRP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCc1cnccc1C ZINC000290230599 456271233 /nfs/dbraw/zinc/27/12/33/456271233.db2.gz FUVHFVQLWUYDOA-SFHVURJKSA-N 2 0 346.496 3.165 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1)C(C)C ZINC000281618053 456276819 /nfs/dbraw/zinc/27/68/19/456276819.db2.gz BVOQPGDTCIBVCX-QGZVFWFLSA-N 2 0 331.504 3.118 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275712082 456292839 /nfs/dbraw/zinc/29/28/39/456292839.db2.gz UQZAIJZHWBLRDN-SFHVURJKSA-N 2 0 346.519 3.129 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000352777004 456296897 /nfs/dbraw/zinc/29/68/97/456296897.db2.gz FPQNBZDMKDWSOY-JENIJYKNSA-N 2 0 348.535 3.016 20 0 EGADRP C[C@@H](CCN1CCOCC1)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000352780913 456300021 /nfs/dbraw/zinc/30/00/21/456300021.db2.gz RIFGETVMJORTMX-HNNXBMFYSA-N 2 0 347.484 3.026 20 0 EGADRP C[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340190869 456301988 /nfs/dbraw/zinc/30/19/88/456301988.db2.gz IVLSKAJOSAJTHK-SFTDATJTSA-N 2 0 327.516 3.286 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)[C@@H](C)C1 ZINC000352782330 456302046 /nfs/dbraw/zinc/30/20/46/456302046.db2.gz HFWWVZVMNXYTTA-BFWZDYSYSA-N 2 0 326.525 3.059 20 0 EGADRP CC(C)[C@H](C[NH2+]CCCCCOc1ccccc1)N1CC[NH+](C)CC1 ZINC000275849758 456333217 /nfs/dbraw/zinc/33/32/17/456333217.db2.gz VZUWZKMAXBIMFB-NRFANRHFSA-N 2 0 347.547 3.097 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@]1(C)CCCO1 ZINC000340240013 456334613 /nfs/dbraw/zinc/33/46/13/456334613.db2.gz QBWQKOBSPPQIMD-FXAWDEMLSA-N 2 0 332.488 3.208 20 0 EGADRP CC[NH+](CC)CCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352818289 456334722 /nfs/dbraw/zinc/33/47/22/456334722.db2.gz UGSPZLGKLXFORO-OAQYLSRUSA-N 2 0 329.532 3.316 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000343044324 456368837 /nfs/dbraw/zinc/36/88/37/456368837.db2.gz HSQYLCXPLUVROM-OKZBNKHCSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282339292 456483257 /nfs/dbraw/zinc/48/32/57/456483257.db2.gz VTYUSQMUOJPWLD-HNNXBMFYSA-N 2 0 332.517 3.359 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000303514337 456464743 /nfs/dbraw/zinc/46/47/43/456464743.db2.gz DGDCNNABTATLSF-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000340511368 456501623 /nfs/dbraw/zinc/50/16/23/456501623.db2.gz QPHFEMFHDHZADO-UHFFFAOYSA-N 2 0 327.516 3.281 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000282407020 456503352 /nfs/dbraw/zinc/50/33/52/456503352.db2.gz RZIKJUAHNMVGOW-UYJHFMRCSA-N 2 0 338.442 3.167 20 0 EGADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000298793118 456541670 /nfs/dbraw/zinc/54/16/70/456541670.db2.gz BDMOLWRDDQMMDA-MRXNPFEDSA-N 2 0 331.504 3.065 20 0 EGADRP C[C@@H](CO)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000651957148 462391519 /nfs/dbraw/zinc/39/15/19/462391519.db2.gz PBHPVMNMERZOIL-SFHVURJKSA-N 2 0 332.532 3.485 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353220168 456568311 /nfs/dbraw/zinc/56/83/11/456568311.db2.gz CHBJCMKFXLCNSG-OAHLLOKOSA-N 2 0 338.565 3.120 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)cc1)C(C)C ZINC000343455458 456632699 /nfs/dbraw/zinc/63/26/99/456632699.db2.gz PXVRQQCXAGYEHI-LPHOPBHVSA-N 2 0 331.504 3.129 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282891125 456656473 /nfs/dbraw/zinc/65/64/73/456656473.db2.gz XXBJFHUCFOWSSU-KRWDZBQOSA-N 2 0 326.488 3.169 20 0 EGADRP C[NH+](C)CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000299352691 456666807 /nfs/dbraw/zinc/66/68/07/456666807.db2.gz SAEYPOXOERZPLV-UHFFFAOYSA-N 2 0 349.482 3.366 20 0 EGADRP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000299401116 456682012 /nfs/dbraw/zinc/68/20/12/456682012.db2.gz YHJVIEPWNUKOCL-QGZVFWFLSA-N 2 0 346.519 3.177 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000353476985 456701053 /nfs/dbraw/zinc/70/10/53/456701053.db2.gz ZXPDEOYHDUGOJH-VDGAXYAQSA-N 2 0 343.515 3.065 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000353490433 456710878 /nfs/dbraw/zinc/71/08/78/456710878.db2.gz QQECYHOEHPRFEO-CRAIPNDOSA-N 2 0 332.467 3.359 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000343582671 456724244 /nfs/dbraw/zinc/72/42/44/456724244.db2.gz ZQEGFRZFUNEGJF-FQEVSTJZSA-N 2 0 343.515 3.277 20 0 EGADRP CC(C)Cc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000353516738 456729652 /nfs/dbraw/zinc/72/96/52/456729652.db2.gz JMCDGQGZGBQNTG-XLIONFOSSA-N 2 0 345.531 3.123 20 0 EGADRP COc1ccc2ccccc2c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353529012 456738831 /nfs/dbraw/zinc/73/88/31/456738831.db2.gz OZIMEQZNTFYJRW-UHFFFAOYSA-N 2 0 342.483 3.391 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(F)c1 ZINC000353630716 456815675 /nfs/dbraw/zinc/81/56/75/456815675.db2.gz NJXIMZQFARAOSZ-ZDUSSCGKSA-N 2 0 326.481 3.312 20 0 EGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000348764387 456846769 /nfs/dbraw/zinc/84/67/69/456846769.db2.gz PXLXIQHLMLPLLZ-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000353676339 456848141 /nfs/dbraw/zinc/84/81/41/456848141.db2.gz XIEQUVNVLMTISX-RGCMJDONSA-N 3 0 341.543 3.359 20 0 EGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341380972 456861886 /nfs/dbraw/zinc/86/18/86/456861886.db2.gz QACDYARMEKKLHC-MMADZMRASA-N 2 0 348.453 3.323 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC=C(c2ccncc2)C1 ZINC000348830841 456874836 /nfs/dbraw/zinc/87/48/36/456874836.db2.gz FIIKAHKQVVFUEK-UHFFFAOYSA-N 2 0 331.423 3.260 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353730135 456875903 /nfs/dbraw/zinc/87/59/03/456875903.db2.gz QBSZRFREICYVNL-LJQANCHMSA-N 2 0 343.515 3.019 20 0 EGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)C(C)C)CC1 ZINC000338974185 456883870 /nfs/dbraw/zinc/88/38/70/456883870.db2.gz NTBJYYSDYIJRLV-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1)CC(C)C ZINC000349411429 456964388 /nfs/dbraw/zinc/96/43/88/456964388.db2.gz WYVWPZNFVQTUKD-UHFFFAOYSA-N 2 0 349.519 3.381 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCOCC1 ZINC000353946873 456975840 /nfs/dbraw/zinc/97/58/40/456975840.db2.gz WPQQKGOQQCUPJA-FGTMMUONSA-N 2 0 346.515 3.201 20 0 EGADRP Cc1ncsc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000346050784 457015126 /nfs/dbraw/zinc/01/51/26/457015126.db2.gz RXYUTWWIXNRTFV-CQSZACIVSA-N 2 0 345.512 3.259 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ncc(C)s2)[C@H](C)C1 ZINC000349834203 457070573 /nfs/dbraw/zinc/07/05/73/457070573.db2.gz MSJBCKHMGRGJMK-INMHGKMJSA-N 2 0 339.549 3.282 20 0 EGADRP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000339397644 457093438 /nfs/dbraw/zinc/09/34/38/457093438.db2.gz RUFKEYQSNIZPDY-DLBZAZTESA-N 2 0 328.460 3.495 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]21 ZINC000342090352 457101996 /nfs/dbraw/zinc/10/19/96/457101996.db2.gz TUMBYETWAOENIH-AEGPPILISA-N 2 0 328.378 3.187 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000346681914 457109332 /nfs/dbraw/zinc/10/93/32/457109332.db2.gz NOTSIMNJAYDKOC-UHFFFAOYSA-N 2 0 338.517 3.247 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000346693355 457114934 /nfs/dbraw/zinc/11/49/34/457114934.db2.gz MLUGZEFQNWEBOR-UHFFFAOYSA-N 2 0 325.456 3.078 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)c1 ZINC000362931101 457161466 /nfs/dbraw/zinc/16/14/66/457161466.db2.gz PJZMJTGXRIBOGO-PXNSSMCTSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cn1 ZINC000359972964 457179893 /nfs/dbraw/zinc/17/98/93/457179893.db2.gz ZKHIXQSNWOPBRP-RDTXWAMCSA-N 2 0 345.874 3.152 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCCOC3)CC2)cc1 ZINC000356904426 457210224 /nfs/dbraw/zinc/21/02/24/457210224.db2.gz SYFCDNRZXWEZJZ-XLIONFOSSA-N 2 0 346.515 3.312 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000360041296 457219628 /nfs/dbraw/zinc/21/96/28/457219628.db2.gz PDWMYNABVSVUJZ-RYQLBKOJSA-N 2 0 329.488 3.237 20 0 EGADRP CC[C@H]1C[C@@H](C[NH+]2CCC(OCC[NH+](CC)CC)CC2)CCO1 ZINC000357001008 457268018 /nfs/dbraw/zinc/26/80/18/457268018.db2.gz XKLOOGBMZUPBDZ-ROUUACIJSA-N 2 0 326.525 3.014 20 0 EGADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357021208 457281555 /nfs/dbraw/zinc/28/15/55/457281555.db2.gz YRYLRBUUZPXAIK-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000357045854 457295271 /nfs/dbraw/zinc/29/52/71/457295271.db2.gz VPXQBQJTTWAPOE-FTEYMNFISA-N 2 0 345.531 3.447 20 0 EGADRP CC(C)[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000354668402 457307154 /nfs/dbraw/zinc/30/71/54/457307154.db2.gz VKLQEJULOYRBQW-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1)CC1CC1 ZINC000357091089 457317034 /nfs/dbraw/zinc/31/70/34/457317034.db2.gz WDTYSHHGHIKKOW-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000354811368 457320914 /nfs/dbraw/zinc/32/09/14/457320914.db2.gz MJTUXCHMLZXOBE-ZGXWSNOMSA-N 2 0 349.563 3.361 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)C1CCCC1 ZINC000342478478 457326445 /nfs/dbraw/zinc/32/64/45/457326445.db2.gz SDRWXRCMDODWQX-HXUWFJFHSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000357109156 457327266 /nfs/dbraw/zinc/32/72/66/457327266.db2.gz HLDVHDYCQCCIDC-CADBVGFASA-N 2 0 337.552 3.120 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000352432519 457362190 /nfs/dbraw/zinc/36/21/90/457362190.db2.gz QPIOQRMYCMBURG-QHAWAJNXSA-N 2 0 328.500 3.400 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000355411504 457371654 /nfs/dbraw/zinc/37/16/54/457371654.db2.gz MZBUGYFUZJOCSU-JENIJYKNSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1cccc(NCC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000357227906 457385823 /nfs/dbraw/zinc/38/58/23/457385823.db2.gz GWZLATFYYZHGQG-ICSRJNTNSA-N 2 0 338.499 3.302 20 0 EGADRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000357238027 457393083 /nfs/dbraw/zinc/39/30/83/457393083.db2.gz PCENHVGGAITXQL-AWEZNQCLSA-N 2 0 341.484 3.326 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000352488820 457408965 /nfs/dbraw/zinc/40/89/65/457408965.db2.gz VBFNDRQBMKOFCN-CYBMUJFWSA-N 2 0 327.831 3.011 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369882872 457443277 /nfs/dbraw/zinc/44/32/77/457443277.db2.gz NPGNVQZMKBELAE-NVXWUHKLSA-N 2 0 333.545 3.228 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000347474866 457452389 /nfs/dbraw/zinc/45/23/89/457452389.db2.gz LEOCEMQTTOCTFP-QFBILLFUSA-N 2 0 331.504 3.052 20 0 EGADRP COc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]2)cc1Br ZINC000400340092 457511877 /nfs/dbraw/zinc/51/18/77/457511877.db2.gz HCDVFZLZCLTKFT-WDMOLILDSA-N 2 0 327.266 3.249 20 0 EGADRP CO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000425418432 457544460 /nfs/dbraw/zinc/54/44/60/457544460.db2.gz IPIHUOIXFPJRJT-SFTDATJTSA-N 2 0 328.500 3.400 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3CC=CCC3)CC2)CC1 ZINC000374282639 457567248 /nfs/dbraw/zinc/56/72/48/457567248.db2.gz GDNLNONAXRRUQD-HXUWFJFHSA-N 2 0 333.564 3.471 20 0 EGADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000361112723 457588312 /nfs/dbraw/zinc/58/83/12/457588312.db2.gz VTSOKHRPWZDHDX-DLBZAZTESA-N 2 0 343.515 3.270 20 0 EGADRP Cn1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C(F)F)n1 ZINC000361123303 457596540 /nfs/dbraw/zinc/59/65/40/457596540.db2.gz OFXMUTVZINYXTJ-UHFFFAOYSA-N 2 0 349.429 3.101 20 0 EGADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361173111 457628310 /nfs/dbraw/zinc/62/83/10/457628310.db2.gz AHXIBOVJOGWHPQ-UYAOXDASSA-N 2 0 345.531 3.259 20 0 EGADRP C(CC12CC3CC(CC(C3)C1)C2)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000410087367 457628472 /nfs/dbraw/zinc/62/84/72/457628472.db2.gz IBDOZISYWTUMJR-UHFFFAOYSA-N 2 0 345.575 3.210 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425904218 457650537 /nfs/dbraw/zinc/65/05/37/457650537.db2.gz XKSJAMQRQSKXJS-IEBWSBKVSA-N 2 0 348.535 3.132 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1)C[NH+](C)C ZINC000425942141 457657116 /nfs/dbraw/zinc/65/71/16/457657116.db2.gz DQROEJHOWJMCDP-NEPJUHHUSA-N 2 0 331.273 3.307 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(Cl)c1 ZINC000370633035 457686987 /nfs/dbraw/zinc/68/69/87/457686987.db2.gz FIPABVLOXWRWEC-ZFWWWQNUSA-N 2 0 339.886 3.298 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370632666 457687152 /nfs/dbraw/zinc/68/71/52/457687152.db2.gz CUWRSIBSQWXITP-RBBKRZOGSA-N 2 0 343.559 3.402 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H](C)C3)CC1)C2 ZINC000370671103 457696558 /nfs/dbraw/zinc/69/65/58/457696558.db2.gz MFMCVDIVJRLVLH-YSSFQJQWSA-N 2 0 342.531 3.275 20 0 EGADRP COCC1(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000361378452 457711915 /nfs/dbraw/zinc/71/19/15/457711915.db2.gz RATROQVLCAYSHS-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000365047681 457725107 /nfs/dbraw/zinc/72/51/07/457725107.db2.gz XURNUMWUJMVECY-JCYILVPMSA-N 2 0 347.469 3.067 20 0 EGADRP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCCCC1 ZINC000370839008 457726612 /nfs/dbraw/zinc/72/66/12/457726612.db2.gz OQDRCUYGQFSUDK-PXNSSMCTSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccnn2C)c1 ZINC000374898594 457729364 /nfs/dbraw/zinc/72/93/64/457729364.db2.gz RPPPQFPOHMKSJF-GOSISDBHSA-N 2 0 338.499 3.313 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000433226207 457783630 /nfs/dbraw/zinc/78/36/30/457783630.db2.gz FPYHFCRSINUWQF-HXUWFJFHSA-N 2 0 339.483 3.057 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000375170627 457819263 /nfs/dbraw/zinc/81/92/63/457819263.db2.gz HUUXEIRRZZRMAJ-HXUWFJFHSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccnc2ccncc21 ZINC000444077884 457848454 /nfs/dbraw/zinc/84/84/54/457848454.db2.gz UNBLGHJSIWSSRY-VQIMIIECSA-N 2 0 332.451 3.374 20 0 EGADRP OC1(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000411311835 457856909 /nfs/dbraw/zinc/85/69/09/457856909.db2.gz YAYILIFSOVBQJN-HXUWFJFHSA-N 2 0 328.500 3.280 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([C@H]4C[C@H]4C)o3)C2)CC1 ZINC000371333652 457872964 /nfs/dbraw/zinc/87/29/64/457872964.db2.gz FBCDZAWOFYAZLS-AOIWGVFYSA-N 2 0 331.504 3.003 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCC12CCOCC2)N1CCc2ccccc2C1 ZINC000367079680 457927050 /nfs/dbraw/zinc/92/70/50/457927050.db2.gz HOBNCMURNSGTRK-IBGZPJMESA-N 2 0 328.500 3.372 20 0 EGADRP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000358328397 457936031 /nfs/dbraw/zinc/93/60/31/457936031.db2.gz LNAFKSCCNDIECS-IBGZPJMESA-N 2 0 334.467 3.360 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328435 457936511 /nfs/dbraw/zinc/93/65/11/457936511.db2.gz LTVLCPZDJJFEQT-PZBISTMVSA-N 2 0 346.515 3.242 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[C@H]2CCC[NH+](C)C2)cc1 ZINC000458155825 457947137 /nfs/dbraw/zinc/94/71/37/457947137.db2.gz AXLUJLRNGNZSQN-GOSISDBHSA-N 2 0 345.531 3.380 20 0 EGADRP CC[N@H+](CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC000411891237 458004121 /nfs/dbraw/zinc/00/41/21/458004121.db2.gz ZVIFLYLHWUUKCP-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)CCOCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000427673474 458019754 /nfs/dbraw/zinc/01/97/54/458019754.db2.gz ULGXNGKRIFABAJ-OALUTQOASA-N 2 0 340.552 3.260 20 0 EGADRP FC(F)(F)c1ccccc1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504213 458044300 /nfs/dbraw/zinc/04/43/00/458044300.db2.gz HZTSEIBJSODGGD-UHFFFAOYSA-N 2 0 328.378 3.160 20 0 EGADRP FC(F)(F)COCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375740320 458044648 /nfs/dbraw/zinc/04/46/48/458044648.db2.gz AWHMSYGCGCXAIV-KRWDZBQOSA-N 2 0 342.405 3.163 20 0 EGADRP C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375818374 458079395 /nfs/dbraw/zinc/07/93/95/458079395.db2.gz WCRJDPQIHIZXMV-XPGWFJOJSA-N 2 0 347.934 3.285 20 0 EGADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000358572534 458085747 /nfs/dbraw/zinc/08/57/47/458085747.db2.gz QHLUCGVOSVIHLW-XRXFAXGQSA-N 2 0 330.516 3.284 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412145649 458106397 /nfs/dbraw/zinc/10/63/97/458106397.db2.gz DFPOPGPSTGJAGO-LJQANCHMSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C[N@@H+]1C1CC1 ZINC000412179090 458118585 /nfs/dbraw/zinc/11/85/85/458118585.db2.gz UJVWVHBDTCEIBY-VQIMIIECSA-N 2 0 341.499 3.028 20 0 EGADRP C[C@@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@H]1[NH3+] ZINC000435368293 458120189 /nfs/dbraw/zinc/12/01/89/458120189.db2.gz AIDZHLOFUNOKQC-BXUZGUMPSA-N 2 0 349.276 3.008 20 0 EGADRP O=C(Nc1cccc(CN2CCC[NH2+]CC2)c1)c1ccc(Cl)cc1 ZINC000435379769 458127922 /nfs/dbraw/zinc/12/79/22/458127922.db2.gz KSDXSXNYQZGOCD-UHFFFAOYSA-N 2 0 343.858 3.388 20 0 EGADRP C[NH2+]C[C@H]1CCN(Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435379756 458128203 /nfs/dbraw/zinc/12/82/03/458128203.db2.gz NIIWMWUJDCZUSV-MRXNPFEDSA-N 2 0 346.496 3.377 20 0 EGADRP COc1cc(CN2CCC[NH2+]CC2)ccc1OCc1cccs1 ZINC000435380728 458128515 /nfs/dbraw/zinc/12/85/15/458128515.db2.gz PIOFCKRLDUHMME-UHFFFAOYSA-N 2 0 332.469 3.131 20 0 EGADRP CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435381305 458130532 /nfs/dbraw/zinc/13/05/32/458130532.db2.gz SNVUMRMGOHVQNS-CQSZACIVSA-N 2 0 328.403 3.261 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1 ZINC000358661327 458134854 /nfs/dbraw/zinc/13/48/54/458134854.db2.gz IBZCLKVIEMOBIS-IAGOWNOFSA-N 2 0 331.504 3.083 20 0 EGADRP C[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435430591 458145177 /nfs/dbraw/zinc/14/51/77/458145177.db2.gz CWADTEDAPZGZEX-LJQANCHMSA-N 2 0 325.456 3.235 20 0 EGADRP CC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435623436 458175018 /nfs/dbraw/zinc/17/50/18/458175018.db2.gz CONJWYNAQTZODD-MRXNPFEDSA-N 2 0 348.878 3.397 20 0 EGADRP Cc1ncsc1CN(CCOc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000435732599 458193402 /nfs/dbraw/zinc/19/34/02/458193402.db2.gz PXFYTSDMHKFINV-HNNXBMFYSA-N 2 0 349.475 3.081 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1)CC(C)C ZINC000358754044 458194221 /nfs/dbraw/zinc/19/42/21/458194221.db2.gz SRTSROYUALSKOY-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000372131190 458203556 /nfs/dbraw/zinc/20/35/56/458203556.db2.gz DMXNWXQGWSEKJV-KSZLIROESA-N 2 0 332.488 3.032 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)CC1 ZINC000372199651 458229511 /nfs/dbraw/zinc/22/95/11/458229511.db2.gz ICHZXEQPKVALJX-TZIWHRDSSA-N 2 0 345.506 3.303 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c(F)c1 ZINC000412566967 458235238 /nfs/dbraw/zinc/23/52/38/458235238.db2.gz BTYCQZLOWCPHBM-UHFFFAOYSA-N 2 0 333.451 3.090 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000446968470 458251231 /nfs/dbraw/zinc/25/12/31/458251231.db2.gz YEJLLXPVMOVISU-UHFFFAOYSA-N 2 0 337.533 3.004 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)CC2)c1 ZINC000429045728 458265858 /nfs/dbraw/zinc/26/58/58/458265858.db2.gz WFRVZURMGCZJDR-FQEVSTJZSA-N 2 0 344.499 3.020 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000376325552 458268061 /nfs/dbraw/zinc/26/80/61/458268061.db2.gz RPVFOAMPEPKHFJ-IAGOWNOFSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC000436284939 458283259 /nfs/dbraw/zinc/28/32/59/458283259.db2.gz NCDAJKXEQZTVRF-YLJYHZDGSA-N 2 0 329.532 3.316 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469519 458309660 /nfs/dbraw/zinc/30/96/60/458309660.db2.gz RZGRJFQIAUEARU-FXAWDEMLSA-N 2 0 327.516 3.286 20 0 EGADRP COC1(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CCC1 ZINC000459488947 458389903 /nfs/dbraw/zinc/38/99/03/458389903.db2.gz WQJYPUSLZLMBJA-UHFFFAOYSA-N 2 0 325.456 3.316 20 0 EGADRP CC(C)OC1CC([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000459502376 458393235 /nfs/dbraw/zinc/39/32/35/458393235.db2.gz PAZWGUSYGGRHNK-HJLBWTBNSA-N 2 0 328.500 3.396 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C2 ZINC000423433521 458432863 /nfs/dbraw/zinc/43/28/63/458432863.db2.gz JZBCHMCNCCMSIF-FGTMMUONSA-N 2 0 349.316 3.284 20 0 EGADRP CCOc1cccc2cc([C@H](C)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)oc21 ZINC000373224353 458435609 /nfs/dbraw/zinc/43/56/09/458435609.db2.gz SLPUSOCSIJJBTQ-BHYGNILZSA-N 2 0 344.455 3.345 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc2c(s1)CCC2 ZINC000459658665 458437514 /nfs/dbraw/zinc/43/75/14/458437514.db2.gz YPYVMCSZFYWHCM-ZDUSSCGKSA-N 2 0 328.485 3.346 20 0 EGADRP COCC1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000423479850 458439331 /nfs/dbraw/zinc/43/93/31/458439331.db2.gz VHLVWZWDCBWVLM-DYENIDHDSA-N 2 0 334.479 3.314 20 0 EGADRP COc1cc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000423485473 458441136 /nfs/dbraw/zinc/44/11/36/458441136.db2.gz RRTVIFSBYQXKBE-GXTWGEPZSA-N 2 0 328.403 3.479 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539476 458454859 /nfs/dbraw/zinc/45/48/59/458454859.db2.gz IJYACHMQYPMXCG-LBEHMCEESA-N 2 0 335.289 3.414 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423537853 458454926 /nfs/dbraw/zinc/45/49/26/458454926.db2.gz LEJQSLCIROATBD-BHDDXSALSA-N 3 0 339.527 3.187 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC000423548387 458456127 /nfs/dbraw/zinc/45/61/27/458456127.db2.gz RALLCQQVKQWVEC-CYUUQNCZSA-N 2 0 340.414 3.335 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000459721842 458457195 /nfs/dbraw/zinc/45/71/95/458457195.db2.gz BDYDBPFUSWSTFQ-ZWKOTPCHSA-N 2 0 331.504 3.342 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000430546210 458458788 /nfs/dbraw/zinc/45/87/88/458458788.db2.gz RQLXCZQUCRCLCT-UHFFFAOYSA-N 2 0 341.858 3.129 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000430585821 458466435 /nfs/dbraw/zinc/46/64/35/458466435.db2.gz RJDBAOCJFGFORE-DZGCQCFKSA-N 2 0 325.884 3.281 20 0 EGADRP C[NH2+]C[C@H]1CCCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619183 458471716 /nfs/dbraw/zinc/47/17/16/458471716.db2.gz ZQSMXLSUJCOGRZ-CHWSQXEVSA-N 2 0 334.851 3.382 20 0 EGADRP CC1(C)CCc2ccccc2[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423797234 458485857 /nfs/dbraw/zinc/48/58/57/458485857.db2.gz HTTKGULCXDNTKB-HXUWFJFHSA-N 2 0 343.515 3.020 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C[NH2+]C)CC1)c1cccc2ccccc21 ZINC000430919675 458505658 /nfs/dbraw/zinc/50/56/58/458505658.db2.gz RJKYCNYAQWUAKK-UHFFFAOYSA-N 2 0 339.483 3.124 20 0 EGADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430924225 458506588 /nfs/dbraw/zinc/50/65/88/458506588.db2.gz IJJVMYAMACEOPR-KRWDZBQOSA-N 2 0 337.467 3.224 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430938133 458507660 /nfs/dbraw/zinc/50/76/60/458507660.db2.gz AMHJOGHYJSVKNK-UHFFFAOYSA-N 2 0 338.499 3.124 20 0 EGADRP CCCOc1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)cccc1OCC ZINC000430957955 458509741 /nfs/dbraw/zinc/50/97/41/458509741.db2.gz RDDCEGHAGOVFJI-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430967353 458512755 /nfs/dbraw/zinc/51/27/55/458512755.db2.gz SHLKBFCNYOKNID-GFCCVEGCSA-N 2 0 334.851 3.382 20 0 EGADRP CCCCOc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000468410618 458514905 /nfs/dbraw/zinc/51/49/05/458514905.db2.gz YDSXIEXHNWBSND-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431042423 458520695 /nfs/dbraw/zinc/52/06/95/458520695.db2.gz HKSHFGLUYHDMHS-PNYFIKQUSA-N 2 0 343.515 3.029 20 0 EGADRP Cc1cc(Cl)ccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000468479578 458521163 /nfs/dbraw/zinc/52/11/63/458521163.db2.gz PKUPMDOSXJOOGY-UHFFFAOYSA-N 2 0 349.950 3.498 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)Cc1ccccc1 ZINC000468776176 458535858 /nfs/dbraw/zinc/53/58/58/458535858.db2.gz AYRNXYDXONLYIQ-GIVPXCGWSA-N 2 0 331.548 3.259 20 0 EGADRP Cn1ccnc1[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000377825353 458543185 /nfs/dbraw/zinc/54/31/85/458543185.db2.gz AZKHZAZBVQDUCL-IBGZPJMESA-N 2 0 340.515 3.368 20 0 EGADRP CC(C)C[NH+]1CCC(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424136032 458568265 /nfs/dbraw/zinc/56/82/65/458568265.db2.gz QBQXWSZXARHXMO-SFHVURJKSA-N 2 0 337.552 3.301 20 0 EGADRP Cc1cnccc1OC1CCN(c2nc3ccc(F)cc3n2C)CC1 ZINC000431413895 458569343 /nfs/dbraw/zinc/56/93/43/458569343.db2.gz JYSGKHXNEHIKBL-UHFFFAOYSA-N 2 0 340.402 3.464 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000462012499 458588114 /nfs/dbraw/zinc/58/81/14/458588114.db2.gz IPDHCFXWBAKWAF-SFHVURJKSA-N 2 0 340.556 3.013 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000493891694 458595781 /nfs/dbraw/zinc/59/57/81/458595781.db2.gz OWNLHFMVDUNMCN-VAMGGRTRSA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)c1ccc(CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000469954464 458602771 /nfs/dbraw/zinc/60/27/71/458602771.db2.gz VFZBUZMJTNOYQE-UGKGYDQZSA-N 2 0 343.559 3.310 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ncc(-c3cccc(F)c3)o1)CC[NH2+]CC2 ZINC000424294415 458606874 /nfs/dbraw/zinc/60/68/74/458606874.db2.gz QFGDPTVQCCJXNA-CQSZACIVSA-N 2 0 329.419 3.445 20 0 EGADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424298897 458607419 /nfs/dbraw/zinc/60/74/19/458607419.db2.gz UOKHQHSENLRNJQ-INIZCTEOSA-N 2 0 329.488 3.213 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493970932 458608663 /nfs/dbraw/zinc/60/86/63/458608663.db2.gz VCIJDFXLEZQGPX-IBGZPJMESA-N 2 0 340.467 3.110 20 0 EGADRP COc1ccnc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000424314338 458612911 /nfs/dbraw/zinc/61/29/11/458612911.db2.gz ZZLWNIANFTZNBN-UHFFFAOYSA-N 2 0 340.471 3.018 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000494060949 458622960 /nfs/dbraw/zinc/62/29/60/458622960.db2.gz SBVMMEXPLRTIJD-QWFCFKBJSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(-c2cnn(C)c2)c1 ZINC000424377016 458629120 /nfs/dbraw/zinc/62/91/20/458629120.db2.gz LNPADLAPDMBABH-KRWDZBQOSA-N 2 0 338.499 3.360 20 0 EGADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC(F)F ZINC000424381551 458630351 /nfs/dbraw/zinc/63/03/51/458630351.db2.gz RAGCUJDTOYXAMF-ZDUSSCGKSA-N 2 0 340.414 3.261 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424423458 458640006 /nfs/dbraw/zinc/64/00/06/458640006.db2.gz GGSDEAWUSQXXBM-UHFFFAOYSA-N 2 0 332.492 3.184 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424447608 458646551 /nfs/dbraw/zinc/64/65/51/458646551.db2.gz VVZJMRUBYJVSDZ-OAHLLOKOSA-N 2 0 332.492 3.087 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000546723498 458666194 /nfs/dbraw/zinc/66/61/94/458666194.db2.gz XXPHPGXQPZETCM-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)(CNC1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000463252122 458687254 /nfs/dbraw/zinc/68/72/54/458687254.db2.gz YSMUTNLEISBBON-UHFFFAOYSA-N 2 0 343.559 3.405 20 0 EGADRP c1cnn(-c2cc[nH+]cc2NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463287072 458689026 /nfs/dbraw/zinc/68/90/26/458689026.db2.gz IPENGXPEEZOCGE-UHFFFAOYSA-N 2 0 347.466 3.386 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cncc(F)c2)cc1 ZINC000494558667 458699799 /nfs/dbraw/zinc/69/97/99/458699799.db2.gz RUPRVEUKKARQNE-UHFFFAOYSA-N 2 0 331.435 3.231 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530231350 458725288 /nfs/dbraw/zinc/72/52/88/458725288.db2.gz POPFKLJBFUJCRH-PELRDEGISA-N 2 0 330.516 3.397 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NCC(C)(C)[NH+]1CCCCC1)C(C)C ZINC000503998748 458735989 /nfs/dbraw/zinc/73/59/89/458735989.db2.gz GRPMUWHFHITTCN-UHFFFAOYSA-N 2 0 340.556 3.011 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2c1C ZINC000472054666 458764623 /nfs/dbraw/zinc/76/46/23/458764623.db2.gz VVSZDHHHRJBOIS-QGZVFWFLSA-N 2 0 341.499 3.375 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440122848 458783217 /nfs/dbraw/zinc/78/32/17/458783217.db2.gz YKZMBPZLZPVKOI-BWPNAZKDSA-N 2 0 347.547 3.257 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000472461348 458796876 /nfs/dbraw/zinc/79/68/76/458796876.db2.gz HLBJXHDERBFHDX-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472483097 458798280 /nfs/dbraw/zinc/79/82/80/458798280.db2.gz DMRNXHPPSQNHES-MJGOQNOKSA-N 2 0 343.515 3.294 20 0 EGADRP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000495508782 458871018 /nfs/dbraw/zinc/87/10/18/458871018.db2.gz IKAJIAIZQVNUAN-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000457119118 458873518 /nfs/dbraw/zinc/87/35/18/458873518.db2.gz NAZDMLGCFZOMKT-FQEVSTJZSA-N 2 0 343.515 3.226 20 0 EGADRP CCc1cccc(Cl)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000474355119 458880145 /nfs/dbraw/zinc/88/01/45/458880145.db2.gz QBFRQOMIJHAQGL-IBGZPJMESA-N 2 0 337.939 3.264 20 0 EGADRP CCC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000566430107 458930339 /nfs/dbraw/zinc/93/03/39/458930339.db2.gz JMFRGVJRFORPLX-UHFFFAOYSA-N 2 0 349.544 3.294 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441397232 458935902 /nfs/dbraw/zinc/93/59/02/458935902.db2.gz TUIDJGZMBVXJPH-ABSDTBQOSA-N 2 0 341.499 3.271 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000576936165 458949534 /nfs/dbraw/zinc/94/95/34/458949534.db2.gz KYLCSFZGSYWBRE-UHFFFAOYSA-N 2 0 337.895 3.379 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000577098010 458979771 /nfs/dbraw/zinc/97/97/71/458979771.db2.gz OCTJSERIKIHZIG-UHFFFAOYSA-N 2 0 335.467 3.315 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000476128169 458981286 /nfs/dbraw/zinc/98/12/86/458981286.db2.gz BSZWGEJXOXBXNS-KURKYZTESA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000566716886 458987715 /nfs/dbraw/zinc/98/77/15/458987715.db2.gz OKAPXFAFBTWAJO-NHCUHLMSSA-N 2 0 330.516 3.382 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC000468050434 458999189 /nfs/dbraw/zinc/99/91/89/458999189.db2.gz YJEXWMSXQQBNHE-YJBOKZPZSA-N 2 0 348.560 3.164 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCOCC4CCC4)[C@@H]3C2)cc1 ZINC000577434105 459031923 /nfs/dbraw/zinc/03/19/23/459031923.db2.gz GUFUKRNZCJQSQS-HBMCJLEFSA-N 2 0 328.500 3.303 20 0 EGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000577495992 459042021 /nfs/dbraw/zinc/04/20/21/459042021.db2.gz DOGCKPDLHRRCPJ-SFHVURJKSA-N 2 0 325.456 3.472 20 0 EGADRP Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000532250018 459053830 /nfs/dbraw/zinc/05/38/30/459053830.db2.gz NPZXQIKBOJAHBM-DYESRHJHSA-N 2 0 342.483 3.320 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000442923651 459060851 /nfs/dbraw/zinc/06/08/51/459060851.db2.gz QXKZPNJETVNLIH-QGZVFWFLSA-N 2 0 325.456 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532480949 459097132 /nfs/dbraw/zinc/09/71/32/459097132.db2.gz HWUMHKUSIVOGMB-HOTGVXAUSA-N 2 0 329.488 3.342 20 0 EGADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)CC[NH+](C)C ZINC000532492513 459098815 /nfs/dbraw/zinc/09/88/15/459098815.db2.gz FYWWKRVJGSTEDX-LSDHHAIUSA-N 2 0 339.911 3.007 20 0 EGADRP Cc1cccc(-c2noc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000567456309 459109295 /nfs/dbraw/zinc/10/92/95/459109295.db2.gz HZQLJXLITKWSQL-IRXDYDNUSA-N 2 0 326.444 3.009 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000577963868 459124253 /nfs/dbraw/zinc/12/42/53/459124253.db2.gz QWCBRBRDTBQRIS-LNLFQRSKSA-N 2 0 331.504 3.082 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496254393 459126536 /nfs/dbraw/zinc/12/65/36/459126536.db2.gz KSWDEYWKXQZALR-RBUKOAKNSA-N 2 0 347.503 3.333 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c(Br)c1 ZINC000567639144 459139051 /nfs/dbraw/zinc/13/90/51/459139051.db2.gz YLHMISKLYRPVCN-LLVKDONJSA-N 2 0 327.266 3.108 20 0 EGADRP CC1CC[NH+](CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000558477763 459164634 /nfs/dbraw/zinc/16/46/34/459164634.db2.gz IWRGCKYPIYLUJG-FCHUYYIVSA-N 2 0 341.543 3.172 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000578232124 459167642 /nfs/dbraw/zinc/16/76/42/459167642.db2.gz IOAGPBWXDMMJOS-APWZRJJASA-N 2 0 344.499 3.145 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(C)c2)CC(C)C)CC1 ZINC000521821264 459180515 /nfs/dbraw/zinc/18/05/15/459180515.db2.gz AAIOPWAWBARRBD-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP COC1(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CCCCC1 ZINC000480368632 459195512 /nfs/dbraw/zinc/19/55/12/459195512.db2.gz DLBWHOXANWXFCW-HXUWFJFHSA-N 2 0 330.516 3.490 20 0 EGADRP CC[C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000480378838 459196201 /nfs/dbraw/zinc/19/62/01/459196201.db2.gz OQPCTWDAWKCCEN-LPHOPBHVSA-N 2 0 345.531 3.106 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480767779 459218447 /nfs/dbraw/zinc/21/84/47/459218447.db2.gz FJSUZDIGIXXQEI-ATZDWAIDSA-N 2 0 335.923 3.407 20 0 EGADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787099 459219000 /nfs/dbraw/zinc/21/90/00/459219000.db2.gz XBZZRQWUKJYSFP-HKUYNNGSSA-N 2 0 337.552 3.218 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C1CCCCC1 ZINC000590786664 459219071 /nfs/dbraw/zinc/21/90/71/459219071.db2.gz JIIITPGIGYBEFY-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590787303 459219628 /nfs/dbraw/zinc/21/96/28/459219628.db2.gz ZENCBLPUFWPNNL-KRWDZBQOSA-N 2 0 331.504 3.374 20 0 EGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590818913 459232622 /nfs/dbraw/zinc/23/26/22/459232622.db2.gz IKNJWLBAYHCQQT-FQEVSTJZSA-N 2 0 348.531 3.095 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@H]([S@](C)=O)C3)CC2)C1 ZINC000595073791 459237594 /nfs/dbraw/zinc/23/75/94/459237594.db2.gz VPEFUJBWGQCVIP-OYQWSTANSA-N 2 0 340.577 3.309 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496639572 459268524 /nfs/dbraw/zinc/26/85/24/459268524.db2.gz KDOSCYGPZOISKC-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481730822 459271442 /nfs/dbraw/zinc/27/14/42/459271442.db2.gz DIUKIYVJNLTPLJ-GHTZIAJQSA-N 3 0 329.532 3.492 20 0 EGADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482237565 459298723 /nfs/dbraw/zinc/29/87/23/459298723.db2.gz FIWOMAWVHMUJKS-VQTJNVASSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C(C)C)cc1 ZINC000482366941 459304689 /nfs/dbraw/zinc/30/46/89/459304689.db2.gz MREZVXQCASSETD-JOCHJYFZSA-N 2 0 345.575 3.425 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000523611351 459316696 /nfs/dbraw/zinc/31/66/96/459316696.db2.gz ZMJGHQZGCXJXTC-UHFFFAOYSA-N 2 0 327.472 3.493 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482630094 459318019 /nfs/dbraw/zinc/31/80/19/459318019.db2.gz MLJHUCVVUAMHAB-OXJNMPFZSA-N 3 0 349.950 3.482 20 0 EGADRP OCCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000560538682 459369235 /nfs/dbraw/zinc/36/92/35/459369235.db2.gz YVOKLXJAYDXINV-PCCBWWKXSA-N 2 0 330.516 3.429 20 0 EGADRP [NH3+]C1(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCCCC1 ZINC000496923171 459372052 /nfs/dbraw/zinc/37/20/52/459372052.db2.gz RESZPTLZLJDLHC-UHFFFAOYSA-N 2 0 345.487 3.039 20 0 EGADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000569002654 459380784 /nfs/dbraw/zinc/38/07/84/459380784.db2.gz BZWTWLIPSSCJNS-SFTDATJTSA-N 3 0 329.532 3.048 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2C)[C@@H](C)C1 ZINC000484274426 459410104 /nfs/dbraw/zinc/41/01/04/459410104.db2.gz DRFAARHYGATEGQ-PXNSSMCTSA-N 2 0 336.495 3.403 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@H]1C ZINC000484907114 459434108 /nfs/dbraw/zinc/43/41/08/459434108.db2.gz IVEBORUPYDAFHO-KSZLIROESA-N 2 0 325.541 3.122 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000561479004 459457180 /nfs/dbraw/zinc/45/71/80/459457180.db2.gz CEPDBZNKOLRRKI-PSBKLILYSA-N 2 0 343.559 3.432 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497203335 459484080 /nfs/dbraw/zinc/48/40/80/459484080.db2.gz RDDQOXGJCGZNSP-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP CCCCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486210155 459492635 /nfs/dbraw/zinc/49/26/35/459492635.db2.gz BANRTNNPPZXBHU-DOTOQJQBSA-N 2 0 337.552 3.122 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000541852996 459498368 /nfs/dbraw/zinc/49/83/68/459498368.db2.gz QIGDWGGORAAIKU-OAQYLSRUSA-N 2 0 345.506 3.379 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000569855841 459520411 /nfs/dbraw/zinc/52/04/11/459520411.db2.gz HPKQKTQFYWWUNU-CYBMUJFWSA-N 2 0 334.414 3.175 20 0 EGADRP CC(C)Cc1ncc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000583369316 459527114 /nfs/dbraw/zinc/52/71/14/459527114.db2.gz QBEUVBZZFBVSOB-WMZOPIPTSA-N 2 0 337.533 3.060 20 0 EGADRP C[C@H](Cc1ccccc1F)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000526112922 459549902 /nfs/dbraw/zinc/54/99/02/459549902.db2.gz IXQSNCRGHBLKOJ-OAHLLOKOSA-N 2 0 328.435 3.016 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000583814697 459601142 /nfs/dbraw/zinc/60/11/42/459601142.db2.gz IJBUUMXQNUXFAR-QFUCXCTJSA-N 2 0 349.563 3.397 20 0 EGADRP CC[C@H]1C[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000592489086 459612436 /nfs/dbraw/zinc/61/24/36/459612436.db2.gz PMIIUCZZCZUILS-WFASDCNBSA-N 2 0 332.366 3.023 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000573111313 459628527 /nfs/dbraw/zinc/62/85/27/459628527.db2.gz QSIHHFZOFQTYBD-LPHOPBHVSA-N 2 0 338.923 3.488 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000543598035 459674146 /nfs/dbraw/zinc/67/41/46/459674146.db2.gz PCHRPTKLXUWNOL-CQSZACIVSA-N 2 0 343.309 3.458 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527868799 459762456 /nfs/dbraw/zinc/76/24/56/459762456.db2.gz LPZPKKJPYFYNSE-KRWDZBQOSA-N 2 0 340.870 3.291 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527868804 459762975 /nfs/dbraw/zinc/76/29/75/459762975.db2.gz LPZPKKJPYFYNSE-QGZVFWFLSA-N 2 0 340.870 3.291 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cc(F)c(Br)cc1F ZINC000527977192 459787114 /nfs/dbraw/zinc/78/71/14/459787114.db2.gz CONRRHBFEBOHQY-OTYXRUKQSA-N 2 0 333.220 3.157 20 0 EGADRP Cc1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc2ccccc12 ZINC000584705905 459787658 /nfs/dbraw/zinc/78/76/58/459787658.db2.gz OOMLQBZYJCAMMT-UHFFFAOYSA-N 2 0 333.439 3.092 20 0 EGADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000597046670 459823993 /nfs/dbraw/zinc/82/39/93/459823993.db2.gz IPAJREYOKQUPIN-OAHLLOKOSA-N 2 0 336.451 3.214 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000566295071 459837706 /nfs/dbraw/zinc/83/77/06/459837706.db2.gz PYADWWPQLICDNN-BHIYHBOVSA-N 2 0 335.536 3.007 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc3ccsc32)CC[NH2+]CC1 ZINC000593318572 459839878 /nfs/dbraw/zinc/83/98/78/459839878.db2.gz FAAQWAUZCPIWHK-CQSZACIVSA-N 2 0 346.496 3.312 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2cc(C(F)(F)F)ccn2)CC1 ZINC000566329292 459844265 /nfs/dbraw/zinc/84/42/65/459844265.db2.gz APXHDMHLHRVPDT-UHFFFAOYSA-N 2 0 329.410 3.495 20 0 EGADRP CC1=CCN(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000545865178 459863191 /nfs/dbraw/zinc/86/31/91/459863191.db2.gz FXFANJKBIRTSPZ-YPAWHYETSA-N 2 0 339.527 3.139 20 0 EGADRP CCCN1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000574912602 459892979 /nfs/dbraw/zinc/89/29/79/459892979.db2.gz OSKNGGVIEAKNTK-HOTGVXAUSA-N 2 0 344.421 3.073 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000575248898 459955361 /nfs/dbraw/zinc/95/53/61/459955361.db2.gz XNDAGSQAHHBWCF-HXUWFJFHSA-N 2 0 346.515 3.040 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000593737072 459969477 /nfs/dbraw/zinc/96/94/77/459969477.db2.gz KXANCVOVAAPLBB-UHFFFAOYSA-N 2 0 330.428 3.170 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621655415 459997835 /nfs/dbraw/zinc/99/78/35/459997835.db2.gz MQVMHOAFFSXADF-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c2ccccc21 ZINC000621752655 460049415 /nfs/dbraw/zinc/04/94/15/460049415.db2.gz BVNDVQVRBIHUTK-PKOBYXMFSA-N 2 0 331.504 3.440 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000576250580 460103039 /nfs/dbraw/zinc/10/30/39/460103039.db2.gz DSYSQLWGLGEJNZ-SLFFLAALSA-N 2 0 341.499 3.436 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000618661314 460111943 /nfs/dbraw/zinc/11/19/43/460111943.db2.gz PZGMLDAVUDHBJS-MRXNPFEDSA-N 2 0 347.503 3.258 20 0 EGADRP Fc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000576636671 460183550 /nfs/dbraw/zinc/18/35/50/460183550.db2.gz MDHYNVZVDKFGSR-ZDUSSCGKSA-N 2 0 341.268 3.410 20 0 EGADRP C[NH+](C)CCC[C@H]1C[N@H+](CCc2cccc(C(F)(F)F)c2)CCO1 ZINC000628352649 460379086 /nfs/dbraw/zinc/37/90/86/460379086.db2.gz POHFSKZNNGNLIN-KRWDZBQOSA-N 2 0 344.421 3.291 20 0 EGADRP Cc1ccc([C@@H](C)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000600120178 460391778 /nfs/dbraw/zinc/39/17/78/460391778.db2.gz JBTIYYWSLFDUPG-PZJWPPBQSA-N 2 0 329.532 3.199 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631664507 460497682 /nfs/dbraw/zinc/49/76/82/460497682.db2.gz OETCYVXOTVPYPF-QRFRQXIXSA-N 2 0 326.488 3.229 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000623412685 460534173 /nfs/dbraw/zinc/53/41/73/460534173.db2.gz XAFVNJIPSLHELM-ZDUSSCGKSA-N 2 0 336.423 3.093 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623431690 460546636 /nfs/dbraw/zinc/54/66/36/460546636.db2.gz MPYFFDREAHRSHJ-UHFFFAOYSA-N 2 0 340.309 3.364 20 0 EGADRP O[C@H]1CCN(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000623838261 460737128 /nfs/dbraw/zinc/73/71/28/460737128.db2.gz MSFZSTQKEABTLA-IBGZPJMESA-N 2 0 330.859 3.163 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)o1 ZINC000607125379 460793456 /nfs/dbraw/zinc/79/34/56/460793456.db2.gz YLONLYOONFBEHY-HOTGVXAUSA-N 2 0 335.492 3.066 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000629540391 460801066 /nfs/dbraw/zinc/80/10/66/460801066.db2.gz WTIBIZZSRDCKKW-AZUAARDMSA-N 2 0 331.504 3.232 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561983 460808897 /nfs/dbraw/zinc/80/88/97/460808897.db2.gz MBWSYYGJJBCLRQ-SJORKVTESA-N 2 0 344.421 3.095 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1C(F)(F)F ZINC000629656382 460851197 /nfs/dbraw/zinc/85/11/97/460851197.db2.gz NYPZQNGLRUBYRH-HOTGVXAUSA-N 2 0 342.405 3.013 20 0 EGADRP C[N@H+](CCOCC[NH3+])CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000629666538 460856394 /nfs/dbraw/zinc/85/63/94/460856394.db2.gz SBRQIBIKEAHSFZ-UHFFFAOYSA-N 2 0 334.410 3.004 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121563 460870996 /nfs/dbraw/zinc/87/09/96/460870996.db2.gz YBLGAUAHTXZHSH-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CC3 ZINC000624121836 460871295 /nfs/dbraw/zinc/87/12/95/460871295.db2.gz DPIPUGPHHNRIHP-HOTGVXAUSA-N 2 0 341.499 3.355 20 0 EGADRP C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000624123448 460872774 /nfs/dbraw/zinc/87/27/74/460872774.db2.gz MASPYHVBNLZFAU-VXGBXAGGSA-N 2 0 344.272 3.366 20 0 EGADRP CN1CC[NH+](Cc2ccccc2-c2cccc([C@@H]3CC[NH2+]C3)c2)CC1 ZINC000629735379 460897500 /nfs/dbraw/zinc/89/75/00/460897500.db2.gz UIVUVZRZUQDXJF-HXUWFJFHSA-N 2 0 335.495 3.178 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000632949960 460902359 /nfs/dbraw/zinc/90/23/59/460902359.db2.gz HOIDRSXOBZHWSL-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000602022988 460993530 /nfs/dbraw/zinc/99/35/30/460993530.db2.gz VKLUMQINAFSLIG-BHIYHBOVSA-N 2 0 344.499 3.234 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183224 461035062 /nfs/dbraw/zinc/03/50/62/461035062.db2.gz UPRISHQOYQVXLQ-UKRRQHHQSA-N 2 0 340.309 3.457 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183225 461036684 /nfs/dbraw/zinc/03/66/84/461036684.db2.gz UPRISHQOYQVXLQ-ZFWWWQNUSA-N 2 0 340.309 3.457 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000652349166 461141324 /nfs/dbraw/zinc/14/13/24/461141324.db2.gz DAKAITUSFFSBJT-SCTDSRPQSA-N 2 0 341.455 3.060 20 0 EGADRP CCCCc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348558 461141474 /nfs/dbraw/zinc/14/14/74/461141474.db2.gz IDUUODAFNMMTTN-ZMSDIMECSA-N 2 0 337.533 3.204 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000652349290 461142844 /nfs/dbraw/zinc/14/28/44/461142844.db2.gz JHYYIXCQGNZYFX-SRCQZFHVSA-N 2 0 326.843 3.197 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349679 461144355 /nfs/dbraw/zinc/14/43/55/461144355.db2.gz YVZJZQPALMYTNU-JCKWVBRZSA-N 2 0 338.879 3.067 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349678 461144483 /nfs/dbraw/zinc/14/44/83/461144483.db2.gz YVZJZQPALMYTNU-DHSIGJKJSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)c1ccc(OC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662251504 461145061 /nfs/dbraw/zinc/14/50/61/461145061.db2.gz DLMVAYGDZNRIJR-FQEVSTJZSA-N 2 0 344.499 3.174 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362529 461154046 /nfs/dbraw/zinc/15/40/46/461154046.db2.gz JCRDYJIFJXUMOT-RBSFLKMASA-N 2 0 347.484 3.264 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)no2)C1 ZINC000652361248 461154408 /nfs/dbraw/zinc/15/44/08/461154408.db2.gz AFVFRZXBRMJKEO-UXPWSPDFSA-N 2 0 341.455 3.202 20 0 EGADRP Fc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000662273790 461160836 /nfs/dbraw/zinc/16/08/36/461160836.db2.gz PDLXJRDHGYASBQ-STQMWFEESA-N 2 0 328.378 3.249 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCc3nsc4ccccc43)CC2)C1 ZINC000662281544 461162790 /nfs/dbraw/zinc/16/27/90/461162790.db2.gz NQBMNPLBIQZIEP-QAPCUYQASA-N 2 0 345.512 3.057 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000662281648 461163107 /nfs/dbraw/zinc/16/31/07/461163107.db2.gz KTRCSFCVAHLFFS-QAPCUYQASA-N 2 0 338.879 3.067 20 0 EGADRP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000662283757 461165640 /nfs/dbraw/zinc/16/56/40/461165640.db2.gz KMUABLDALMZSTI-BFYDXBDKSA-N 2 0 338.879 3.209 20 0 EGADRP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000662283760 461165689 /nfs/dbraw/zinc/16/56/89/461165689.db2.gz KMUABLDALMZSTI-ZMSDIMECSA-N 2 0 338.879 3.209 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313019 461184932 /nfs/dbraw/zinc/18/49/32/461184932.db2.gz FUPCTAXNNGRVQQ-RHSMWYFYSA-N 2 0 337.895 3.426 20 0 EGADRP CCn1cc(CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cn1 ZINC000649603357 461211424 /nfs/dbraw/zinc/21/14/24/461211424.db2.gz INXUOJYKPZQFMK-GOSISDBHSA-N 2 0 346.544 3.269 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662381633 461224115 /nfs/dbraw/zinc/22/41/15/461224115.db2.gz YLYOPROHIRIDLR-CTNGQTDRSA-N 2 0 349.478 3.002 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638111333 461244852 /nfs/dbraw/zinc/24/48/52/461244852.db2.gz DUFXGOLVPLHCHB-HOJAQTOUSA-N 2 0 345.531 3.261 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000662444937 461246318 /nfs/dbraw/zinc/24/63/18/461246318.db2.gz NRLKCOGCQPZDDR-SJORKVTESA-N 2 0 333.520 3.243 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662458943 461252108 /nfs/dbraw/zinc/25/21/08/461252108.db2.gz AOCXGDYUGJRCEJ-DLBZAZTESA-N 2 0 341.499 3.016 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655446387 461254552 /nfs/dbraw/zinc/25/45/52/461254552.db2.gz RATSKTTYZHZQBM-FPOVZHCZSA-N 2 0 341.499 3.391 20 0 EGADRP C[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000659376115 461320023 /nfs/dbraw/zinc/32/00/23/461320023.db2.gz SWWYSSYPJNDXFF-NZSAHSFTSA-N 2 0 337.552 3.430 20 0 EGADRP C[C@H](NCc1cnc2n1CCC2)c1nc2ccccc2n1C(F)F ZINC000641704717 461328246 /nfs/dbraw/zinc/32/82/46/461328246.db2.gz KBVDEVBMRBQLDT-NSHDSACASA-N 2 0 331.370 3.425 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000668631005 461364153 /nfs/dbraw/zinc/36/41/53/461364153.db2.gz MVDREGGRRWZVJV-FPOVZHCZSA-N 2 0 346.515 3.408 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@]12CCCO2 ZINC000638435759 461427351 /nfs/dbraw/zinc/42/73/51/461427351.db2.gz XVLSYLHROZNGAC-PWRODBHTSA-N 2 0 346.515 3.343 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ncc(C(C)(C)C)s3)c2)CC1 ZINC000630960596 461443453 /nfs/dbraw/zinc/44/34/53/461443453.db2.gz IGJAJLHRAPYCFZ-UHFFFAOYSA-N 2 0 345.516 3.200 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638567486 461488522 /nfs/dbraw/zinc/48/85/22/461488522.db2.gz MWKAAIFQJLRVKQ-PZJWPPBQSA-N 2 0 327.516 3.286 20 0 EGADRP COc1ccccc1N1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000631035758 461490429 /nfs/dbraw/zinc/49/04/29/461490429.db2.gz PYAZAOPKXMNKAJ-UHFFFAOYSA-N 2 0 331.504 3.130 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587425 461495198 /nfs/dbraw/zinc/49/51/98/461495198.db2.gz CKXMLQISTJQCFT-YFVAEKQCSA-N 2 0 327.516 3.286 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655850299 461498563 /nfs/dbraw/zinc/49/85/63/461498563.db2.gz UIDNJOOBWNJXSO-FCHUYYIVSA-N 2 0 341.543 3.300 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)c1 ZINC000647151798 461528638 /nfs/dbraw/zinc/52/86/38/461528638.db2.gz PLICPGSXWPLXSS-HOCLYGCPSA-N 2 0 330.407 3.013 20 0 EGADRP CCCc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000642622357 461539805 /nfs/dbraw/zinc/53/98/05/461539805.db2.gz IVJFQPMWJQUXJK-UHFFFAOYSA-N 2 0 338.499 3.076 20 0 EGADRP CCCCC[N@H+](CCNC(=O)[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653200844 461554264 /nfs/dbraw/zinc/55/42/64/461554264.db2.gz RRLZOFFTYRZYNI-FQEVSTJZSA-N 2 0 345.531 3.185 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663343831 461570278 /nfs/dbraw/zinc/57/02/78/461570278.db2.gz GMOLHMLAVHQREL-XLIONFOSSA-N 2 0 328.500 3.264 20 0 EGADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000638775662 461572135 /nfs/dbraw/zinc/57/21/35/461572135.db2.gz HRILBGYVIYEDJU-BMHOQUIDSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663346253 461575929 /nfs/dbraw/zinc/57/59/29/461575929.db2.gz RPSALUFRWBZMQT-STZQEDGTSA-N 2 0 341.543 3.219 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347232 461577101 /nfs/dbraw/zinc/57/71/01/461577101.db2.gz HPERBCHHCFXGHA-AEFFLSMTSA-N 2 0 329.488 3.115 20 0 EGADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663346971 461578000 /nfs/dbraw/zinc/57/80/00/461578000.db2.gz DJHKVKNJKNOGMC-SFHVURJKSA-N 2 0 332.488 3.306 20 0 EGADRP COc1ccc(C)cc1C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663351218 461580359 /nfs/dbraw/zinc/58/03/59/461580359.db2.gz GXPVFVNPOGLZIU-UHFFFAOYSA-N 2 0 336.439 3.202 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1n1ccnc1 ZINC000660112296 461585734 /nfs/dbraw/zinc/58/57/34/461585734.db2.gz JOKHCUQDQFNHME-SQNIBIBYSA-N 2 0 346.519 3.051 20 0 EGADRP CN(C(=O)CC[NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663357401 461585904 /nfs/dbraw/zinc/58/59/04/461585904.db2.gz MRUJWXPBMBYSOF-UHFFFAOYSA-N 2 0 339.483 3.151 20 0 EGADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253092 461591909 /nfs/dbraw/zinc/59/19/09/461591909.db2.gz GQQLEJJVMLTPBO-MRXNPFEDSA-N 2 0 335.517 3.186 20 0 EGADRP COc1cc(Cl)c(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000631161582 461600787 /nfs/dbraw/zinc/60/07/87/461600787.db2.gz SXOKUEVOSLIXMX-UHFFFAOYSA-N 2 0 326.868 3.320 20 0 EGADRP CCNC(=O)[C@@H](C)NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638846868 461614406 /nfs/dbraw/zinc/61/44/06/461614406.db2.gz FQWNDUGMKHRISY-UTKZUKDTSA-N 2 0 345.531 3.039 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000638862663 461625349 /nfs/dbraw/zinc/62/53/49/461625349.db2.gz YTIASIFKKLQBSW-LJQANCHMSA-N 2 0 341.499 3.088 20 0 EGADRP C[NH2+]C[C@H](C)NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000663508492 461677495 /nfs/dbraw/zinc/67/74/95/461677495.db2.gz BBYPWRGCENFSSL-AWEZNQCLSA-N 2 0 332.419 3.111 20 0 EGADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483665 461698594 /nfs/dbraw/zinc/69/85/94/461698594.db2.gz GTWLETOZPJSFDE-MJGOQNOKSA-N 2 0 346.519 3.030 20 0 EGADRP Cc1nc2c(n1[C@@H]1CC[N@@H+]([C@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076824 461709849 /nfs/dbraw/zinc/70/98/49/461709849.db2.gz RHSVBOCQAJTBPM-RHSMWYFYSA-N 2 0 339.487 3.485 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000643480295 461742620 /nfs/dbraw/zinc/74/26/20/461742620.db2.gz SMYUUNAQQRBJNS-JNXFOVNBSA-N 3 0 341.543 3.394 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534076 461754634 /nfs/dbraw/zinc/75/46/34/461754634.db2.gz KTKBXCPDYRNNGN-WMLDXEAASA-N 2 0 330.476 3.009 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)s2)cn1 ZINC000647542671 461755164 /nfs/dbraw/zinc/75/51/64/461755164.db2.gz AAJFYBPPAYNARY-HZPDHXFCSA-N 2 0 344.528 3.360 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1F ZINC000643537142 461756248 /nfs/dbraw/zinc/75/62/48/461756248.db2.gz ZYKXGDILCNSFGZ-YGRLFVJLSA-N 2 0 327.241 3.381 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000647543502 461756214 /nfs/dbraw/zinc/75/62/14/461756214.db2.gz OKRCDKNFSWSMOG-HOTGVXAUSA-N 2 0 344.528 3.360 20 0 EGADRP Cn1ccnc1[C@H](C1CC1)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000639170386 461778379 /nfs/dbraw/zinc/77/83/79/461778379.db2.gz BHJSIMDJECRITQ-SFHVURJKSA-N 2 0 330.451 3.074 20 0 EGADRP Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc(C)n1 ZINC000660484852 461806142 /nfs/dbraw/zinc/80/61/42/461806142.db2.gz CUCOBCKGHHIHOC-FQEVSTJZSA-N 2 0 338.499 3.484 20 0 EGADRP c1ccc(C2=CCC[N@@H+](Cc3cccc(CN4CCOCC4)c3)C2)nc1 ZINC000653702005 461814994 /nfs/dbraw/zinc/81/49/94/461814994.db2.gz MWDCXIOFWKBRDR-UHFFFAOYSA-N 2 0 349.478 3.203 20 0 EGADRP COCCSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786665 461834415 /nfs/dbraw/zinc/83/44/15/461834415.db2.gz VAHBGRVMIMQKQE-XOYOTBSWSA-N 2 0 334.529 3.464 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1)c1ccccc1 ZINC000647794186 461838029 /nfs/dbraw/zinc/83/80/29/461838029.db2.gz TXWHTLKORMOLGL-HSALFYBXSA-N 2 0 349.478 3.417 20 0 EGADRP CCc1nc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2n1C1CC1 ZINC000647796962 461839687 /nfs/dbraw/zinc/83/96/87/461839687.db2.gz SFFWGXLERZHSRU-YESZJQIVSA-N 2 0 338.499 3.411 20 0 EGADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797837 461840283 /nfs/dbraw/zinc/84/02/83/461840283.db2.gz DMNMICAAYVMVGK-SOAMZJECSA-N 2 0 326.484 3.058 20 0 EGADRP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798718 461841803 /nfs/dbraw/zinc/84/18/03/461841803.db2.gz WFJXOZVSVSCUOS-BPQIPLTHSA-N 2 0 331.504 3.374 20 0 EGADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc(OC)c1OC ZINC000647804549 461844628 /nfs/dbraw/zinc/84/46/28/461844628.db2.gz UCNKQLUYMAJDCR-CYBMUJFWSA-N 2 0 330.428 3.022 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000663882562 461854354 /nfs/dbraw/zinc/85/43/54/461854354.db2.gz KXBRPXCGMKQNIX-DYESRHJHSA-N 2 0 343.515 3.019 20 0 EGADRP Fc1ccc(C(C[NH2+]C[C@@H]2C[C@H](F)CN2)c2ccc(F)cc2)cc1 ZINC000666947665 461884359 /nfs/dbraw/zinc/88/43/59/461884359.db2.gz FTYCZHZBZLHTSK-ROUUACIJSA-N 2 0 334.385 3.386 20 0 EGADRP Clc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952469 461885092 /nfs/dbraw/zinc/88/50/92/461885092.db2.gz XYCQHHGNKANHNT-ZDUSSCGKSA-N 2 0 329.669 3.334 20 0 EGADRP Clc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666952468 461885215 /nfs/dbraw/zinc/88/52/15/461885215.db2.gz XYCQHHGNKANHNT-CYBMUJFWSA-N 2 0 329.669 3.334 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950723 461885695 /nfs/dbraw/zinc/88/56/95/461885695.db2.gz CKEWPFJBCDBNIN-INIZCTEOSA-N 2 0 338.879 3.369 20 0 EGADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656786987 461897043 /nfs/dbraw/zinc/89/70/43/461897043.db2.gz ZAACXSDBRICUKM-HNNXBMFYSA-N 2 0 332.879 3.199 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cnc21 ZINC000656786981 461898662 /nfs/dbraw/zinc/89/86/62/461898662.db2.gz YWZAVAWJMHXCFB-GOSISDBHSA-N 2 0 341.503 3.224 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000650706299 461900453 /nfs/dbraw/zinc/90/04/53/461900453.db2.gz ICYJZOKORRPALS-CPUCHLNUSA-N 2 0 326.843 3.197 20 0 EGADRP c1ccc([C@@H]2C[C@H](Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)CC[NH2+]2)cc1 ZINC000656790857 461901695 /nfs/dbraw/zinc/90/16/95/461901695.db2.gz ACCCGGGTWXLMFN-HKBOAZHASA-N 2 0 337.467 3.253 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000650708056 461902153 /nfs/dbraw/zinc/90/21/53/461902153.db2.gz SQNAEQISYOTGRJ-FRFSOERESA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000650707608 461902360 /nfs/dbraw/zinc/90/23/60/461902360.db2.gz JGAFJUVIEZGDFX-ZVUUWWJPSA-N 2 0 336.426 3.196 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995124 461902817 /nfs/dbraw/zinc/90/28/17/461902817.db2.gz DPDTYUIHRIZFOV-SJORKVTESA-N 2 0 332.488 3.289 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666999413 461905279 /nfs/dbraw/zinc/90/52/79/461905279.db2.gz FKDIWHQXXWEIKX-CYBMUJFWSA-N 2 0 339.277 3.222 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)[C@H]1CC[NH3+] ZINC000650711080 461905771 /nfs/dbraw/zinc/90/57/71/461905771.db2.gz HPFKNZMBOZMOJS-QAPCUYQASA-N 2 0 326.444 3.218 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654853 461905865 /nfs/dbraw/zinc/90/58/65/461905865.db2.gz IJROGBNYFTVERJ-KBXCAEBGSA-N 2 0 335.879 3.085 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660655258 461905926 /nfs/dbraw/zinc/90/59/26/461905926.db2.gz LLKGPVKDCLJEPV-NQIIRXRSSA-N 2 0 343.515 3.357 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OCC(C)C ZINC000666999482 461905970 /nfs/dbraw/zinc/90/59/70/461905970.db2.gz NGSMHAWNYLPHNA-QGZVFWFLSA-N 2 0 332.488 3.494 20 0 EGADRP C[NH+](C)C1(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000667002544 461908389 /nfs/dbraw/zinc/90/83/89/461908389.db2.gz QTGSKCPFTKMKNH-UHFFFAOYSA-N 2 0 343.515 3.162 20 0 EGADRP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723573 461916540 /nfs/dbraw/zinc/91/65/40/461916540.db2.gz QIEVEBUDCWCJML-IMJJTQAJSA-N 2 0 337.533 3.301 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975427 461916739 /nfs/dbraw/zinc/91/67/39/461916739.db2.gz AFWQPZAKEKZRSG-KSZLIROESA-N 2 0 329.488 3.034 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976566 461918315 /nfs/dbraw/zinc/91/83/15/461918315.db2.gz QDVXFRGERBTJDP-OTWHNJEPSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977336 461918764 /nfs/dbraw/zinc/91/87/64/461918764.db2.gz AAGYQOHCLXNMRH-OTWHNJEPSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976407 461919049 /nfs/dbraw/zinc/91/90/49/461919049.db2.gz NZISQIOBFCMWLB-GVDBMIGSSA-N 2 0 347.478 3.173 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660680795 461922704 /nfs/dbraw/zinc/92/27/04/461922704.db2.gz XSLMIJWDHAGKFV-RTBURBONSA-N 2 0 329.532 3.219 20 0 EGADRP FC(F)(F)COCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679388 461922982 /nfs/dbraw/zinc/92/29/82/461922982.db2.gz OWSJUYJVXGYELT-UHFFFAOYSA-N 2 0 330.394 3.210 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644521945 461968101 /nfs/dbraw/zinc/96/81/01/461968101.db2.gz INOXYBBUMCOCTN-MRXNPFEDSA-N 2 0 335.467 3.256 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644603672 462006786 /nfs/dbraw/zinc/00/67/86/462006786.db2.gz PZMYTAIGWSFHSV-INIZCTEOSA-N 2 0 335.467 3.112 20 0 EGADRP CCc1cccc2cc(C[NH2+]C[C@H](C)N3CC[NH+](CC)CC3)oc21 ZINC000657309509 462034271 /nfs/dbraw/zinc/03/42/71/462034271.db2.gz FCXNDTQLPOCAMR-INIZCTEOSA-N 2 0 329.488 3.111 20 0 EGADRP COCc1csc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000657316086 462041663 /nfs/dbraw/zinc/04/16/63/462041663.db2.gz XBXQVZSGJXYSMT-UHFFFAOYSA-N 2 0 334.485 3.125 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000657353890 462067659 /nfs/dbraw/zinc/06/76/59/462067659.db2.gz KSKQPYWJAOBIMD-MRXNPFEDSA-N 2 0 329.513 3.141 20 0 EGADRP CCc1cccc2cc(C[NH2+][C@@H]3CCN(C4CC[NH+](C)CC4)C3)oc21 ZINC000657360050 462071033 /nfs/dbraw/zinc/07/10/33/462071033.db2.gz VKBJACGFDVZRSU-GOSISDBHSA-N 2 0 341.499 3.253 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000648448288 462123821 /nfs/dbraw/zinc/12/38/21/462123821.db2.gz ZNUFXEOVRXNGHL-RYQLBKOJSA-N 2 0 349.494 3.186 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667544043 462135683 /nfs/dbraw/zinc/13/56/83/462135683.db2.gz UCDULBFTCKIOKJ-FQEVSTJZSA-N 2 0 332.488 3.018 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000664723125 462160149 /nfs/dbraw/zinc/16/01/49/462160149.db2.gz UUYLMKNONYKINN-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657538874 462173632 /nfs/dbraw/zinc/17/36/32/462173632.db2.gz XRWCANBPBPXALZ-BRWVUGGUSA-N 2 0 333.907 3.383 20 0 EGADRP COc1cc(F)cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657613633 462204014 /nfs/dbraw/zinc/20/40/14/462204014.db2.gz OPEMJHVMQWZZOZ-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP CC(C)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(C)CC1 ZINC000667732372 462236624 /nfs/dbraw/zinc/23/66/24/462236624.db2.gz IZAHAYGVSTVJJR-SFHVURJKSA-N 2 0 332.492 3.023 20 0 EGADRP COc1cc(OC)c(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000651678345 462300224 /nfs/dbraw/zinc/30/02/24/462300224.db2.gz MEOLAPYYWXFLIG-HNNXBMFYSA-N 2 0 338.467 3.445 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000667945110 462337868 /nfs/dbraw/zinc/33/78/68/462337868.db2.gz IBYVYKXDBLZHRU-GOSISDBHSA-N 2 0 331.504 3.012 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000665248032 462367020 /nfs/dbraw/zinc/36/70/20/462367020.db2.gz NTMCGROYDKCQGU-SLFFLAALSA-N 2 0 327.516 3.148 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](CC)C(C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC000649001990 462367495 /nfs/dbraw/zinc/36/74/95/462367495.db2.gz YZCAKGVJDQUNKT-FQEVSTJZSA-N 2 0 345.531 3.473 20 0 EGADRP COCc1csc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665263673 462375340 /nfs/dbraw/zinc/37/53/40/462375340.db2.gz RQDNSKKBGKHIFC-HKUYNNGSSA-N 2 0 344.480 3.240 20 0 EGADRP CC[N@H+](CCCNCc1ccc2c(c1)nnn2C)C1CCCCC1 ZINC000651910051 462376496 /nfs/dbraw/zinc/37/64/96/462376496.db2.gz FQMDQWIEGFZRMH-UHFFFAOYSA-N 2 0 329.492 3.103 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090805 462379545 /nfs/dbraw/zinc/37/95/45/462379545.db2.gz JRLDQNABJAEXLX-AEFFLSMTSA-N 2 0 333.520 3.150 20 0 EGADRP c1ccc(CN2CCCO[C@@H](C[N@@H+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290026 462387778 /nfs/dbraw/zinc/38/77/78/462387778.db2.gz GBRMBLVVAJEPHF-LEWJYISDSA-N 2 0 328.500 3.400 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CCC(C)(C)[NH3+])c1ccccc1Cl ZINC000649278001 462465966 /nfs/dbraw/zinc/46/59/66/462465966.db2.gz CFRWMNNGBDLLGA-INIZCTEOSA-N 2 0 339.911 3.357 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)C1 ZINC000658305355 462467855 /nfs/dbraw/zinc/46/78/55/462467855.db2.gz ZHLVCFNAVVZZET-ZIFCJYIRSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(OC)c(OC)c(OC)c1 ZINC000652204899 462471610 /nfs/dbraw/zinc/47/16/10/462471610.db2.gz GPOVEUPLYQTMRX-HMQMGEFJSA-N 2 0 348.487 3.378 20 0 EGADRP CO[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000658318050 462474692 /nfs/dbraw/zinc/47/46/92/462474692.db2.gz YAFGTLJQYKRNBH-OXJNMPFZSA-N 2 0 334.504 3.483 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000658357994 462488393 /nfs/dbraw/zinc/48/83/93/462488393.db2.gz SLEKGZQTUHYPOQ-OAHLLOKOSA-N 2 0 332.488 3.476 20 0 EGADRP CCn1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2c1cccc2F ZINC000649417828 462504466 /nfs/dbraw/zinc/50/44/66/462504466.db2.gz KBLRSIKTCCRLCQ-CVEARBPZSA-N 2 0 344.478 3.407 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCC1 ZINC000165269490 534125200 /nfs/dbraw/zinc/12/52/00/534125200.db2.gz XKQLXKXNSWSTQM-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000133203226 534130085 /nfs/dbraw/zinc/13/00/85/534130085.db2.gz XNMFWZWGAISODY-DENIHFKCSA-N 2 0 342.527 3.407 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(CO)o2)cc1 ZINC000174270659 534162408 /nfs/dbraw/zinc/16/24/08/534162408.db2.gz GDSNAAHHUDKGLU-MRXNPFEDSA-N 2 0 328.456 3.436 20 0 EGADRP OCC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000188017607 534373813 /nfs/dbraw/zinc/37/38/13/534373813.db2.gz KOSFVPRLLNQKKB-ONUIULTDSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184090399 534448281 /nfs/dbraw/zinc/44/82/81/534448281.db2.gz GBVZIHBIRREZLQ-JKIFEVAISA-N 2 0 346.450 3.127 20 0 EGADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181681868 527828243 /nfs/dbraw/zinc/82/82/43/527828243.db2.gz GGFRYUYCONUYQQ-TUFLPTIASA-N 2 0 342.527 3.344 20 0 EGADRP CC[NH+](Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1)C(C)C ZINC000174470430 527834626 /nfs/dbraw/zinc/83/46/26/527834626.db2.gz PHGYNVRUYYNSDC-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP CC1(C)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181917581 527867974 /nfs/dbraw/zinc/86/79/74/527867974.db2.gz GTSJDCRHYSFAQO-OTWHNJEPSA-N 2 0 329.488 3.091 20 0 EGADRP CCOc1cccc2cc([C@H](C)[NH2+]CCCN3CC[NH+](C)CC3)oc21 ZINC000181418590 528699635 /nfs/dbraw/zinc/69/96/35/528699635.db2.gz FKDRGZBVLUJMJV-INIZCTEOSA-N 2 0 345.487 3.120 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000178694723 528720134 /nfs/dbraw/zinc/72/01/34/528720134.db2.gz WVBFITWWJBEJGA-RBUKOAKNSA-N 2 0 347.547 3.400 20 0 EGADRP CC(C)[C@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163949048 528970543 /nfs/dbraw/zinc/97/05/43/528970543.db2.gz SJYKIRWANNXXAX-KRWDZBQOSA-N 2 0 334.504 3.310 20 0 EGADRP CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000132417085 529009095 /nfs/dbraw/zinc/00/90/95/529009095.db2.gz AXMZNZPZCAHECT-RTWAWAEBSA-N 2 0 347.547 3.398 20 0 EGADRP CC(C)[C@H](C[NH2+]C[C@@H](C)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000187652010 529012763 /nfs/dbraw/zinc/01/27/63/529012763.db2.gz AZUDOUMXEJGVOK-APWZRJJASA-N 2 0 337.939 3.305 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000154485711 529143591 /nfs/dbraw/zinc/14/35/91/529143591.db2.gz SWXRWXIZDUGSTD-AWEZNQCLSA-N 2 0 343.437 3.172 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2oc3ccccc3c2C)CC1 ZINC000154250531 529145140 /nfs/dbraw/zinc/14/51/40/529145140.db2.gz FDFJTNHSJHGQEM-QGZVFWFLSA-N 2 0 329.488 3.419 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000154278221 529145488 /nfs/dbraw/zinc/14/54/88/529145488.db2.gz IFLKVHNJEPDCIX-HXUWFJFHSA-N 2 0 335.511 3.010 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000236875801 535557864 /nfs/dbraw/zinc/55/78/64/535557864.db2.gz ZXIQFAPBIAOPQX-UHFFFAOYSA-N 2 0 347.503 3.126 20 0 EGADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](CO)C(C)(C)C ZINC000093837545 546688137 /nfs/dbraw/zinc/68/81/37/546688137.db2.gz KJVDNGRKNPBNSQ-LJQANCHMSA-N 2 0 334.504 3.000 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134295579 546827213 /nfs/dbraw/zinc/82/72/13/546827213.db2.gz WCSDUZRTMXEMRT-MRXNPFEDSA-N 2 0 342.314 3.208 20 0 EGADRP COc1cccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000154872496 546896437 /nfs/dbraw/zinc/89/64/37/546896437.db2.gz LSXVXJJFVZIJAZ-LAUBAEHRSA-N 2 0 345.531 3.152 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166635025 546989768 /nfs/dbraw/zinc/98/97/68/546989768.db2.gz AKLYJXBQJDUUGH-CEXWTWQISA-N 2 0 331.479 3.319 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)cc1 ZINC000183142354 547089729 /nfs/dbraw/zinc/08/97/29/547089729.db2.gz MNGBZGVUMXZYQD-VXAANUECSA-N 2 0 326.484 3.197 20 0 EGADRP [NH3+]CC1(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCCCC1 ZINC000185352264 547119061 /nfs/dbraw/zinc/11/90/61/547119061.db2.gz GEQMJXLXSUNCIF-IBGZPJMESA-N 2 0 343.515 3.239 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000248445671 547299245 /nfs/dbraw/zinc/29/92/45/547299245.db2.gz CESUCOOTVHRDNV-XUVXKRRUSA-N 2 0 328.500 3.039 20 0 EGADRP COc1cc2c(cc1OC)[C@@H](NC1CC[NH+](CC3CC3)CC1)CC2 ZINC000280282119 547372637 /nfs/dbraw/zinc/37/26/37/547372637.db2.gz YOZGXYAOGXBIGW-SFHVURJKSA-N 2 0 330.472 3.155 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000285758293 547389582 /nfs/dbraw/zinc/38/95/82/547389582.db2.gz RHSLUOKHHMJMEO-PZJWPPBQSA-N 2 0 329.532 3.486 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000339071406 547568618 /nfs/dbraw/zinc/56/86/18/547568618.db2.gz QZYSYCGLOCSAHU-CABCVRRESA-N 2 0 340.414 3.056 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000339255686 547572735 /nfs/dbraw/zinc/57/27/35/547572735.db2.gz QQRMBBHGHCGBPO-DLBZAZTESA-N 2 0 335.492 3.043 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000341277150 547587062 /nfs/dbraw/zinc/58/70/62/547587062.db2.gz SWHTVPDPGKGBEK-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCCOCCOCc2ccccc2)c2ccccc21 ZINC000390469732 547827793 /nfs/dbraw/zinc/82/77/93/547827793.db2.gz BMQDAXBGTZBDCH-SFTDATJTSA-N 2 0 340.467 3.344 20 0 EGADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccncc1 ZINC000414929678 547861952 /nfs/dbraw/zinc/86/19/52/547861952.db2.gz RWXRPTHNVDDAKB-MSOLQXFVSA-N 2 0 341.455 3.029 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415961358 547868032 /nfs/dbraw/zinc/86/80/32/547868032.db2.gz DBRHIVLNOMLLNS-NSHDSACASA-N 2 0 346.397 3.016 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474924258 547955007 /nfs/dbraw/zinc/95/50/07/547955007.db2.gz IMEKPBQCAHKCMH-JUVOFCAFSA-N 2 0 349.485 3.359 20 0 EGADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc2c[nH+]cn2c1 ZINC000670782326 548235953 /nfs/dbraw/zinc/23/59/53/548235953.db2.gz IREZIUVXSNKLAS-HXUWFJFHSA-N 2 0 348.450 3.291 20 0 EGADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000673438501 548560991 /nfs/dbraw/zinc/56/09/91/548560991.db2.gz UFFSOXOEEOBZAZ-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP c1ccc2c(c1)cccc2OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499808 548930705 /nfs/dbraw/zinc/93/07/05/548930705.db2.gz JVLSKMYKWQOOKP-UHFFFAOYSA-N 2 0 333.435 3.436 20 0 EGADRP CCCc1cc(N2CC[NH+](C(C)(C)CO)CC2)c2ccccc2[nH+]1 ZINC000676878123 549170192 /nfs/dbraw/zinc/17/01/92/549170192.db2.gz LBWJOXUIHRNFKH-UHFFFAOYSA-N 2 0 327.472 3.080 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(CO)o2)C[N@@H+]1Cc1ccccc1 ZINC000677129216 549214854 /nfs/dbraw/zinc/21/48/54/549214854.db2.gz OEXNWTRUTCDFDN-SJLPKXTDSA-N 2 0 328.456 3.162 20 0 EGADRP CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000678340788 549472633 /nfs/dbraw/zinc/47/26/33/549472633.db2.gz QWWCLVWJKGMSAN-PMACEKPBSA-N 2 0 346.515 3.407 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(C)n1 ZINC000678413178 549486937 /nfs/dbraw/zinc/48/69/37/549486937.db2.gz FOCYMQUNILNJPD-MRXNPFEDSA-N 2 0 327.472 3.490 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000679189070 549652904 /nfs/dbraw/zinc/65/29/04/549652904.db2.gz RNSKHAPWZKJHOY-MRXNPFEDSA-N 2 0 325.456 3.017 20 0 EGADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681368809 549988019 /nfs/dbraw/zinc/98/80/19/549988019.db2.gz FAGQSONBFWUPMU-UXHICEINSA-N 2 0 334.504 3.310 20 0 EGADRP CN(CCCC[NH+](C)C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000682007374 550060526 /nfs/dbraw/zinc/06/05/26/550060526.db2.gz GIHHPUZNUBRXIC-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000682245808 550086224 /nfs/dbraw/zinc/08/62/24/550086224.db2.gz SAHDNAVKIUJTAP-HXUWFJFHSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000683147599 550196772 /nfs/dbraw/zinc/19/67/72/550196772.db2.gz YUBQQOUKJMSBQP-FVCZOJIISA-N 2 0 332.488 3.001 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683774990 550260572 /nfs/dbraw/zinc/26/05/72/550260572.db2.gz PUMJGYVJKMLEKJ-JOCHJYFZSA-N 2 0 347.462 3.091 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000684113301 550292699 /nfs/dbraw/zinc/29/26/99/550292699.db2.gz CHHFXASVMQIJPO-AEFFLSMTSA-N 2 0 331.504 3.422 20 0 EGADRP Oc1cccc2c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc[nH+]c12 ZINC000684579399 550345275 /nfs/dbraw/zinc/34/52/75/550345275.db2.gz HNEXIEIIUFHBIW-QGZVFWFLSA-N 2 0 349.434 3.119 20 0 EGADRP C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685463804 550420149 /nfs/dbraw/zinc/42/01/49/550420149.db2.gz BJPNWHPRGCEZMH-OAQYLSRUSA-N 2 0 346.515 3.288 20 0 EGADRP CC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000685579707 550430021 /nfs/dbraw/zinc/43/00/21/550430021.db2.gz NOLOFHUHEQXTTG-GOSISDBHSA-N 2 0 345.531 3.322 20 0 EGADRP CCCC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000685612197 550432911 /nfs/dbraw/zinc/43/29/11/550432911.db2.gz OZCHTLCETJZNJZ-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP CSc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685848003 550447707 /nfs/dbraw/zinc/44/77/07/550447707.db2.gz LNCLHQQTGYREFD-HNNXBMFYSA-N 2 0 339.574 3.070 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000733795973 575396571 /nfs/dbraw/zinc/39/65/71/575396571.db2.gz WLPMAKDIGNVROB-DYXWJJEUSA-N 2 0 330.516 3.481 20 0 EGADRP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+]1CCCCC1 ZINC000743316272 576805659 /nfs/dbraw/zinc/80/56/59/576805659.db2.gz PSGKKYFBVLOPTB-OAHLLOKOSA-N 2 0 343.471 3.099 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000743322649 576805744 /nfs/dbraw/zinc/80/57/44/576805744.db2.gz CFHQNCIIQGVXOL-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000379478720 1297532919 /nfs/dbraw/zinc/53/29/19/1297532919.db2.gz LRJGYPZOBSDYGT-UHFFFAOYSA-N 2 0 347.503 3.108 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(Cl)c2Br)CC1 ZINC000719422711 1298317800 /nfs/dbraw/zinc/31/78/00/1298317800.db2.gz QVHGSGDZMPMPEV-UHFFFAOYSA-N 2 0 329.669 3.454 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000877767461 1299544152 /nfs/dbraw/zinc/54/41/52/1299544152.db2.gz KFCCWKSWEKNJTK-ROUUACIJSA-N 2 0 346.494 3.006 20 0 EGADRP Cc1cc(C)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1C ZINC000066877077 1292131674 /nfs/dbraw/zinc/13/16/74/1292131674.db2.gz VNYWRVYHMPTKRR-UHFFFAOYSA-N 2 0 338.499 3.048 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864716 1292389658 /nfs/dbraw/zinc/38/96/58/1292389658.db2.gz XVRGVKGQBUPRKE-HXUWFJFHSA-N 2 0 343.515 3.156 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OCC(C)C ZINC000075780643 1292411247 /nfs/dbraw/zinc/41/12/47/1292411247.db2.gz KQWVVZSBFJIREZ-QGZVFWFLSA-N 2 0 332.488 3.304 20 0 EGADRP CN(C)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000078819875 1292528308 /nfs/dbraw/zinc/52/83/08/1292528308.db2.gz XLVJCSGWEKUEQQ-UHFFFAOYSA-N 2 0 344.528 3.485 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000088727089 1292755628 /nfs/dbraw/zinc/75/56/28/1292755628.db2.gz WSUYLVBMILJFBK-FQEVSTJZSA-N 2 0 330.516 3.476 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)N1CC[NH+](C)CC1 ZINC000105465398 1293039367 /nfs/dbraw/zinc/03/93/67/1293039367.db2.gz QZGKFFBKOYBJAY-HNNXBMFYSA-N 2 0 347.503 3.280 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C)o1 ZINC000119971042 1293296137 /nfs/dbraw/zinc/29/61/37/1293296137.db2.gz TZEZZBSJVBAQCE-UHFFFAOYSA-N 2 0 328.456 3.143 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123162241 1293435305 /nfs/dbraw/zinc/43/53/05/1293435305.db2.gz LQHPCYNOYNNWAP-NRSPTQNISA-N 2 0 343.559 3.432 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]CCC3CC[NH+](C)CC3)CC2)cc1 ZINC000125401090 1293507026 /nfs/dbraw/zinc/50/70/26/1293507026.db2.gz AKMRTTMTZCXUNZ-UHFFFAOYSA-N 2 0 344.547 3.043 20 0 EGADRP CC(C)Oc1ccccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000126057849 1293523595 /nfs/dbraw/zinc/52/35/95/1293523595.db2.gz YDXOMPAEJMDRNK-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP CC(C)Oc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000126816784 1293545286 /nfs/dbraw/zinc/54/52/86/1293545286.db2.gz FTBIMNGCYKIYGO-ROUUACIJSA-N 2 0 334.504 3.453 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000132183992 1293711558 /nfs/dbraw/zinc/71/15/58/1293711558.db2.gz FHNICVXSUGCKCY-MRXNPFEDSA-N 2 0 331.504 3.059 20 0 EGADRP Cn1c(C[NH2+]CC2CC[NH+](C)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000132833887 1293730214 /nfs/dbraw/zinc/73/02/14/1293730214.db2.gz IIUHQDVLHJSJDB-UHFFFAOYSA-N 2 0 340.393 3.024 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000151141600 1293910240 /nfs/dbraw/zinc/91/02/40/1293910240.db2.gz FJBQKNQVOMRDDM-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1F)C[NH+]1CCCCC1 ZINC000151596534 1293932283 /nfs/dbraw/zinc/93/22/83/1293932283.db2.gz XDMQFSJMXVSAEZ-HNNXBMFYSA-N 2 0 330.451 3.427 20 0 EGADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000153620121 1294022749 /nfs/dbraw/zinc/02/27/49/1294022749.db2.gz WDISHKCCYQQZFY-FQEVSTJZSA-N 2 0 345.531 3.080 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000153799798 1294029561 /nfs/dbraw/zinc/02/95/61/1294029561.db2.gz FNYGZXXUNLLQHL-JXFKEZNVSA-N 2 0 328.456 3.011 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC000157358899 1294175801 /nfs/dbraw/zinc/17/58/01/1294175801.db2.gz QRPMZZKJMLYZNJ-SJORKVTESA-N 2 0 334.504 3.489 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000157623606 1294183528 /nfs/dbraw/zinc/18/35/28/1294183528.db2.gz NNDBODOPBZAIQB-ZDUSSCGKSA-N 2 0 349.302 3.448 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000165736817 1294359356 /nfs/dbraw/zinc/35/93/56/1294359356.db2.gz BANMLKYYSJMBFL-WMLDXEAASA-N 2 0 340.558 3.126 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000173343839 1294459949 /nfs/dbraw/zinc/45/99/49/1294459949.db2.gz SRFKIOPTNFLZIG-IAGOWNOFSA-N 2 0 339.524 3.145 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000870891682 1296132080 /nfs/dbraw/zinc/13/20/80/1296132080.db2.gz HPHFZXNGLADZOK-LMCOJAPRSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870949512 1296148798 /nfs/dbraw/zinc/14/87/98/1296148798.db2.gz HNNVRHDLMOFVKO-VBYALHQYSA-N 2 0 343.515 3.014 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000236827043 1296205808 /nfs/dbraw/zinc/20/58/08/1296205808.db2.gz QDKGYLRJYBMREZ-GOSISDBHSA-N 2 0 325.456 3.092 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C)cc(C)c1OCc1ccccn1 ZINC000237082565 1296219933 /nfs/dbraw/zinc/21/99/33/1296219933.db2.gz GODFUQWUFFXAIY-HXUWFJFHSA-N 2 0 339.483 3.461 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)ccc1OC ZINC000249111539 1296438218 /nfs/dbraw/zinc/43/82/18/1296438218.db2.gz RHBHBNJWYWZAMI-TXPKVOOTSA-N 2 0 334.504 3.349 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261542733 1296593122 /nfs/dbraw/zinc/59/31/22/1296593122.db2.gz CKMMASMPBZGEJF-MXEMCNAFSA-N 3 0 327.516 3.019 20 0 EGADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000261701736 1296598516 /nfs/dbraw/zinc/59/85/16/1296598516.db2.gz OSGNUZFNPJSPNQ-MKXGPGLRSA-N 2 0 331.504 3.317 20 0 EGADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000261701739 1296598605 /nfs/dbraw/zinc/59/86/05/1296598605.db2.gz OSGNUZFNPJSPNQ-OKYOBFRVSA-N 2 0 331.504 3.317 20 0 EGADRP Fc1cc(Br)ccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261942886 1296611183 /nfs/dbraw/zinc/61/11/83/1296611183.db2.gz DWXNOUBJSJUWIY-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000264937086 1296693779 /nfs/dbraw/zinc/69/37/79/1296693779.db2.gz DMJIAGNQPCESBR-HXUWFJFHSA-N 2 0 328.456 3.104 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CCCC2 ZINC000872052056 1296702755 /nfs/dbraw/zinc/70/27/55/1296702755.db2.gz AUQPGEMSNLULOI-GOSISDBHSA-N 2 0 330.472 3.323 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000872086023 1296725632 /nfs/dbraw/zinc/72/56/32/1296725632.db2.gz RFWMYFYIESCFFH-UXHICEINSA-N 2 0 345.531 3.477 20 0 EGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000309949612 1297081695 /nfs/dbraw/zinc/08/16/95/1297081695.db2.gz XNZWSUCJCTWJTH-IAGOWNOFSA-N 2 0 339.524 3.240 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000310036649 1297084265 /nfs/dbraw/zinc/08/42/65/1297084265.db2.gz WADIFGACBGLBJO-QGZVFWFLSA-N 2 0 341.540 3.105 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000310877112 1297102009 /nfs/dbraw/zinc/10/20/09/1297102009.db2.gz HGKATPCYRWRQDW-NQIIRXRSSA-N 2 0 342.458 3.361 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310917508 1297103389 /nfs/dbraw/zinc/10/33/89/1297103389.db2.gz QPAQQGWEUZEPJJ-NHCUHLMSSA-N 2 0 340.515 3.410 20 0 EGADRP Cn1c2ccccc2c(Br)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000873101315 1297273108 /nfs/dbraw/zinc/27/31/08/1297273108.db2.gz SXNYISIBUUZOFV-UHFFFAOYSA-N 2 0 348.288 3.292 20 0 EGADRP c1csc(CC2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873218114 1297358412 /nfs/dbraw/zinc/35/84/12/1297358412.db2.gz XDYBOVQINSFIIA-UHFFFAOYSA-N 2 0 333.526 3.305 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000873246502 1297387325 /nfs/dbraw/zinc/38/73/25/1297387325.db2.gz VVTQGSUVDHPLGZ-OLZOCXBDSA-N 2 0 328.382 3.024 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000873255450 1297392817 /nfs/dbraw/zinc/39/28/17/1297392817.db2.gz HGPWONCVTXESNZ-OTRWWLKZSA-N 2 0 336.451 3.162 20 0 EGADRP COc1ccc(C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000873254573 1297393137 /nfs/dbraw/zinc/39/31/37/1297393137.db2.gz XCQSKVWXUBDOHE-CDXJDZJCSA-N 2 0 340.467 3.315 20 0 EGADRP COCCC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000873256293 1297393550 /nfs/dbraw/zinc/39/35/50/1297393550.db2.gz MRLXYNRDRQERJP-RCBQFDQVSA-N 2 0 341.293 3.244 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000873262207 1297396349 /nfs/dbraw/zinc/39/63/49/1297396349.db2.gz WGAOOIWCGXNXOR-FZKCQIBNSA-N 2 0 346.471 3.262 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873294154 1297415377 /nfs/dbraw/zinc/41/53/77/1297415377.db2.gz UAUSVXSHBYJPTF-VQTJNVASSA-N 2 0 328.500 3.064 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873294152 1297415981 /nfs/dbraw/zinc/41/59/81/1297415981.db2.gz UAUSVXSHBYJPTF-PMACEKPBSA-N 2 0 328.500 3.064 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000396546666 1297687832 /nfs/dbraw/zinc/68/78/32/1297687832.db2.gz NAMDZOWBCZJPKI-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cc2C1 ZINC000404757310 1297759555 /nfs/dbraw/zinc/75/95/55/1297759555.db2.gz GENKDBCJAWEWPP-DLBZAZTESA-N 2 0 345.487 3.153 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCC2 ZINC000453099689 1297890045 /nfs/dbraw/zinc/89/00/45/1297890045.db2.gz WRAOJGKCFMSMGO-RBUKOAKNSA-N 2 0 332.488 3.064 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000496286152 1297951418 /nfs/dbraw/zinc/95/14/18/1297951418.db2.gz STGHDXWIBODMQB-FUHWJXTLSA-N 2 0 339.911 3.357 20 0 EGADRP [NH3+]CCCCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000691909416 1298138828 /nfs/dbraw/zinc/13/88/28/1298138828.db2.gz CQRPHKALLZVFBV-UHFFFAOYSA-N 3 0 329.532 3.494 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692174669 1298141261 /nfs/dbraw/zinc/14/12/61/1298141261.db2.gz MFTMPXFRHAYYSS-OAHLLOKOSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000699211219 1298169150 /nfs/dbraw/zinc/16/91/50/1298169150.db2.gz QMJJKNOQGYMJTJ-LBFURVHYSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000703992577 1298204826 /nfs/dbraw/zinc/20/48/26/1298204826.db2.gz BPFPUTWJOGYTTK-NVXWUHKLSA-N 2 0 339.524 3.144 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000709322864 1298248665 /nfs/dbraw/zinc/24/86/65/1298248665.db2.gz AORHCXDOOSYFSB-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000724026821 1298343035 /nfs/dbraw/zinc/34/30/35/1298343035.db2.gz HQSWXQGHZWCBBB-IAGOWNOFSA-N 2 0 339.524 3.145 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724028779 1298344768 /nfs/dbraw/zinc/34/47/68/1298344768.db2.gz NWGOFLAJTGXZKN-CVEARBPZSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000725893333 1298382960 /nfs/dbraw/zinc/38/29/60/1298382960.db2.gz XHTZEHOZOGKYGP-KSZLIROESA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000877054162 1299134900 /nfs/dbraw/zinc/13/49/00/1299134900.db2.gz FRQKSTWXGIXTPX-QUCCMNQESA-N 2 0 346.515 3.072 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(Cl)cncc1Cl ZINC000877524204 1299368996 /nfs/dbraw/zinc/36/89/96/1299368996.db2.gz TWXLTHBSJKFEFH-UHFFFAOYSA-N 2 0 347.334 3.094 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCc3cccs3)CC2)CC1 ZINC000750836400 1299461578 /nfs/dbraw/zinc/46/15/78/1299461578.db2.gz QVFIWPBLYIEABM-UHFFFAOYSA-N 2 0 349.588 3.419 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000751069971 1299506593 /nfs/dbraw/zinc/50/65/93/1299506593.db2.gz LQJYEDWORDTUNE-JKMZYOBQSA-N 2 0 335.536 3.161 20 0 EGADRP O=C1CC2(CCCC2)CN1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752800388 1299797585 /nfs/dbraw/zinc/79/75/85/1299797585.db2.gz WNKQYRBINVIQLG-UHFFFAOYSA-N 2 0 347.547 3.325 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CCCSC(C)(C)C)CC2)CC1 ZINC000878427465 1299994015 /nfs/dbraw/zinc/99/40/15/1299994015.db2.gz LVAPVGKPEGWWOA-UHFFFAOYSA-N 2 0 341.609 3.258 20 0 EGADRP Cc1ccc2c(ccc(C)c2C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000878993530 1300306770 /nfs/dbraw/zinc/30/67/70/1300306770.db2.gz LDHNBEPYLJVRMI-HXUWFJFHSA-N 2 0 338.495 3.488 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+]4CCCC4)C3)C2)cc1 ZINC000760842882 1301350148 /nfs/dbraw/zinc/35/01/48/1301350148.db2.gz KUPBZILYHJNKLN-OAQYLSRUSA-N 2 0 327.516 3.070 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000882951223 1302179824 /nfs/dbraw/zinc/17/98/24/1302179824.db2.gz UUZYXRRMLOPMGS-IBGZPJMESA-N 2 0 327.472 3.238 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000765358831 1302252603 /nfs/dbraw/zinc/25/26/03/1302252603.db2.gz FDPSRKHPOVMYGZ-MLGOLLRUSA-N 2 0 330.394 3.059 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(Cl)cn3)cc2)CC1 ZINC000886109705 1303359035 /nfs/dbraw/zinc/35/90/35/1303359035.db2.gz QFTGNYREHFGANT-UHFFFAOYSA-N 2 0 345.874 3.498 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000886526279 1303486962 /nfs/dbraw/zinc/48/69/62/1303486962.db2.gz IYXXECRHBVENGM-CKHPTIKVSA-N 2 0 349.563 3.017 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000886540240 1303492547 /nfs/dbraw/zinc/49/25/47/1303492547.db2.gz BLAPOCWRKLUWGH-OMYXNUHHSA-N 2 0 349.563 3.017 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000886545651 1303494571 /nfs/dbraw/zinc/49/45/71/1303494571.db2.gz PLMMQVSIAPYZET-UWJYYQICSA-N 2 0 343.515 3.059 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000886551571 1303496988 /nfs/dbraw/zinc/49/69/88/1303496988.db2.gz KGAXLGKIAJUAJT-JLAWEPINSA-N 2 0 336.520 3.101 20 0 EGADRP Cn1ccnc1[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886621762 1303529028 /nfs/dbraw/zinc/52/90/28/1303529028.db2.gz AQZCKORLQHNFGK-SFANZJOMSA-N 2 0 346.519 3.027 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000773072304 1303619623 /nfs/dbraw/zinc/61/96/23/1303619623.db2.gz WLOCRMNGSZRZJX-PWRODBHTSA-N 2 0 328.500 3.340 20 0 EGADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000887135106 1303688184 /nfs/dbraw/zinc/68/81/84/1303688184.db2.gz WILPJGUACYFQAN-INIZCTEOSA-N 2 0 333.476 3.104 20 0 EGADRP CC(C)Cc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000776014675 1304079697 /nfs/dbraw/zinc/07/96/97/1304079697.db2.gz BBUJSYGSYUCGPI-RTWAWAEBSA-N 2 0 330.516 3.383 20 0 EGADRP CO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000777007095 1304231680 /nfs/dbraw/zinc/23/16/80/1304231680.db2.gz KXXLIGQWYHXPMS-FVQBIDKESA-N 2 0 330.394 3.206 20 0 EGADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857199135 1328524568 /nfs/dbraw/zinc/52/45/68/1328524568.db2.gz COQXPQPZZXPEOU-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000781885500 1304886604 /nfs/dbraw/zinc/88/66/04/1304886604.db2.gz QIQYOZJPKUBUIP-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000782378635 1304965234 /nfs/dbraw/zinc/96/52/34/1304965234.db2.gz JQRFOBPVQADFKT-OALUTQOASA-N 2 0 343.496 3.259 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000783515827 1305101991 /nfs/dbraw/zinc/10/19/91/1305101991.db2.gz CCDPNVUNAYBXGV-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(F)c(C)c2)CC1 ZINC000892144379 1305266512 /nfs/dbraw/zinc/26/65/12/1305266512.db2.gz NOZAXZMUVRVBKK-UHFFFAOYSA-N 2 0 337.483 3.100 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C2CCS(=O)CC2)C1 ZINC000892600944 1305461790 /nfs/dbraw/zinc/46/17/90/1305461790.db2.gz PRAMSJXFPUSUST-FMYUPENNSA-N 2 0 348.556 3.165 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@@H](CC(C)(C)C)CC2=O)CC1 ZINC000787219189 1305711146 /nfs/dbraw/zinc/71/11/46/1305711146.db2.gz HNICHQISUAXWEV-GOSISDBHSA-N 2 0 337.552 3.281 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)CC1 ZINC000893189109 1305752598 /nfs/dbraw/zinc/75/25/98/1305752598.db2.gz KXCAVXMKVZLUOG-UHFFFAOYSA-N 2 0 330.394 3.197 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+](C)C ZINC000895296374 1309274318 /nfs/dbraw/zinc/27/43/18/1309274318.db2.gz IDZTXFLOZMJNPE-QWHCGFSZSA-N 2 0 345.409 3.352 20 0 EGADRP COc1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc(OC)c1O ZINC000895683850 1309464525 /nfs/dbraw/zinc/46/45/25/1309464525.db2.gz VNEKHSANTLBKHW-UHFFFAOYSA-N 2 0 336.476 3.107 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)c1)O[C@H](C)C2 ZINC000798956906 1310463164 /nfs/dbraw/zinc/46/31/64/1310463164.db2.gz HHJKFXIGCCBVTM-MRXNPFEDSA-N 2 0 344.499 3.326 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000798956708 1310463965 /nfs/dbraw/zinc/46/39/65/1310463965.db2.gz KWGWCLZUFIHRMI-UHFFFAOYSA-N 2 0 330.501 3.446 20 0 EGADRP CC1(C(=O)OCCC[NH+]2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000800204869 1310701905 /nfs/dbraw/zinc/70/19/05/1310701905.db2.gz YROKGHCXXAEXSY-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP c1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000839478911 1320927346 /nfs/dbraw/zinc/92/73/46/1320927346.db2.gz IPLAQYCHZMFCOL-HXUWFJFHSA-N 2 0 344.499 3.257 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001018968025 1316989261 /nfs/dbraw/zinc/98/92/61/1316989261.db2.gz PTWUJPGMWOSBJL-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCC2CCCC2)C1 ZINC000957278856 1317256454 /nfs/dbraw/zinc/25/64/54/1317256454.db2.gz QJWARWCGSMNYPR-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001019468508 1317263912 /nfs/dbraw/zinc/26/39/12/1317263912.db2.gz XXDLBMMJOBJSAC-ZWKOTPCHSA-N 2 0 349.544 3.010 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000957325654 1317286735 /nfs/dbraw/zinc/28/67/35/1317286735.db2.gz SAPSEIUHQHBZHD-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764079 1317420829 /nfs/dbraw/zinc/42/08/29/1317420829.db2.gz VJZSGHGVZFMYAF-DLBZAZTESA-N 2 0 339.524 3.240 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000806144846 1317465049 /nfs/dbraw/zinc/46/50/49/1317465049.db2.gz WAOQBOPNXZGNNB-GRAKBVBRSA-N 2 0 334.426 3.483 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000957579351 1317475065 /nfs/dbraw/zinc/47/50/65/1317475065.db2.gz NBSIPMHFQWAFHP-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2)[NH+]1CCCC1 ZINC000957647460 1317518953 /nfs/dbraw/zinc/51/89/53/1317518953.db2.gz IRBUJURPBWUSGP-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)CC1 ZINC000957647519 1317519362 /nfs/dbraw/zinc/51/93/62/1317519362.db2.gz LEJUKIODANKLAE-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001020152407 1317565961 /nfs/dbraw/zinc/56/59/61/1317565961.db2.gz JKVIDLBKSIAWDJ-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000957753522 1317621657 /nfs/dbraw/zinc/62/16/57/1317621657.db2.gz UGNSLXFNYNMWMG-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1)C(C)C ZINC000957760076 1317626829 /nfs/dbraw/zinc/62/68/29/1317626829.db2.gz NTFNBGTUQJNNTD-LJQANCHMSA-N 2 0 337.552 3.218 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001020288603 1317628539 /nfs/dbraw/zinc/62/85/39/1317628539.db2.gz FFRUWUKKWQSPOZ-LWYYNNOASA-N 2 0 347.547 3.211 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000957761121 1317628948 /nfs/dbraw/zinc/62/89/48/1317628948.db2.gz GLCOVERWSIOTSN-HDICACEKSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000957778025 1317642169 /nfs/dbraw/zinc/64/21/69/1317642169.db2.gz KRIZCVSKKLMSPG-HDICACEKSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1ccccc1F ZINC000903116608 1317655889 /nfs/dbraw/zinc/65/58/89/1317655889.db2.gz SFJMJYFEGFAWNL-UTBUEMAESA-N 2 0 334.479 3.346 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001020355118 1317657205 /nfs/dbraw/zinc/65/72/05/1317657205.db2.gz NPRXDGGVJJCLII-IYARVYRRSA-N 2 0 340.471 3.155 20 0 EGADRP c1cncc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)c1 ZINC000903185289 1317668249 /nfs/dbraw/zinc/66/82/49/1317668249.db2.gz CUIGKLNSHXHNHE-NSEAXLEKSA-N 2 0 327.472 3.049 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001020396406 1317678760 /nfs/dbraw/zinc/67/87/60/1317678760.db2.gz RTKNHZXXKICEJE-IYARVYRRSA-N 2 0 340.471 3.155 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000903255074 1317681334 /nfs/dbraw/zinc/68/13/34/1317681334.db2.gz WJXRAPNPMMFPGT-PWUWZPNHSA-N 2 0 334.426 3.483 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001020462709 1317707140 /nfs/dbraw/zinc/70/71/40/1317707140.db2.gz IVPZPJDEIHVTOO-FCGDIQPGSA-N 2 0 349.563 3.314 20 0 EGADRP Fc1cccc(CC2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903722520 1317724969 /nfs/dbraw/zinc/72/49/69/1317724969.db2.gz LYTXBJVNZZOOEW-HXUWFJFHSA-N 2 0 346.490 3.239 20 0 EGADRP c1ccc(-c2n[nH]c(C3CC[NH+](C[C@@H]4CCCC[NH2+]C4)CC3)n2)cc1 ZINC000903725664 1317725657 /nfs/dbraw/zinc/72/56/57/1317725657.db2.gz FHISNQVNCMIHGJ-MRXNPFEDSA-N 2 0 339.487 3.041 20 0 EGADRP Clc1ccc2c(c1Cl)CCN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903726464 1317726210 /nfs/dbraw/zinc/72/62/10/1317726210.db2.gz LXEPRPDIXFQTQL-SUMWQHHRSA-N 2 0 341.282 3.120 20 0 EGADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903740903 1317728391 /nfs/dbraw/zinc/72/83/91/1317728391.db2.gz ZYDULCNVFSAFGD-WOJBJXKFSA-N 2 0 343.515 3.048 20 0 EGADRP CC(C)c1csc([C@@H]2CCC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739683 1317728689 /nfs/dbraw/zinc/72/86/89/1317728689.db2.gz NXXUTDDKRAIXRF-JTDSTZFVSA-N 2 0 349.544 3.215 20 0 EGADRP C[C@@H]1C[C@H](N(C)C[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000903739132 1317728773 /nfs/dbraw/zinc/72/87/73/1317728773.db2.gz CRJADZKHFJFRON-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3)C2)C1 ZINC001020500032 1317730776 /nfs/dbraw/zinc/73/07/76/1317730776.db2.gz LTMDEBDBYJMMSJ-GSEOLPGOSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020500164 1317731194 /nfs/dbraw/zinc/73/11/94/1317731194.db2.gz PGRNNJFGXRZFMV-VAMGGRTRSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1cccc(C)c1NC(=O)CN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814053 1317736853 /nfs/dbraw/zinc/73/68/53/1317736853.db2.gz JPMGXVRUWRNRFQ-KRWDZBQOSA-N 2 0 329.488 3.225 20 0 EGADRP Cc1cc(C)cc(C2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903875972 1317740170 /nfs/dbraw/zinc/74/01/70/1317740170.db2.gz UWXIDLODDXAUOX-NHCUHLMSSA-N 2 0 328.500 3.251 20 0 EGADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2ccccc2)cnn1C ZINC000903905466 1317746461 /nfs/dbraw/zinc/74/64/61/1317746461.db2.gz GOQDIBHFXLITSR-XLIONFOSSA-N 2 0 326.488 3.073 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939393 1317751929 /nfs/dbraw/zinc/75/19/29/1317751929.db2.gz GJRJGVWPEJPECB-NSHDSACASA-N 2 0 347.381 3.019 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000903959557 1317757051 /nfs/dbraw/zinc/75/70/51/1317757051.db2.gz JQCQFBNZGHFBNW-FQEVSTJZSA-N 2 0 332.488 3.197 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2noc([C@H](N)CC3CC3)n2)cc1 ZINC000904100307 1317788197 /nfs/dbraw/zinc/78/81/97/1317788197.db2.gz AMFPTSZACIUBER-QGZVFWFLSA-N 2 0 344.459 3.257 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC001020587461 1317792409 /nfs/dbraw/zinc/79/24/09/1317792409.db2.gz HBPJCOGPPBVPPL-FCGDIQPGSA-N 2 0 343.515 3.086 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc([C@H](C)O)s2)CC1 ZINC000809545760 1317828843 /nfs/dbraw/zinc/82/88/43/1317828843.db2.gz IQMJJBUSHKLEDE-AWEZNQCLSA-N 2 0 325.522 3.140 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405560 1317843228 /nfs/dbraw/zinc/84/32/28/1317843228.db2.gz OAOKNRNPHRNJPC-INIZCTEOSA-N 2 0 346.906 3.372 20 0 EGADRP CC(C)(C)OC(=O)NC1CC([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000809614089 1317845028 /nfs/dbraw/zinc/84/50/28/1317845028.db2.gz JYCYMSPRMZOHLF-UHFFFAOYSA-N 2 0 339.524 3.288 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(OC)c1 ZINC000904458203 1317850163 /nfs/dbraw/zinc/85/01/63/1317850163.db2.gz CEJJHKLIGCDCSC-UHFFFAOYSA-N 2 0 340.467 3.196 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001020673083 1317850313 /nfs/dbraw/zinc/85/03/13/1317850313.db2.gz HFTSQABLFVDIRG-IHPCNDPISA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001020675664 1317852372 /nfs/dbraw/zinc/85/23/72/1317852372.db2.gz AGCGXAUEXOCRED-BZSNNMDCSA-N 2 0 349.544 3.056 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccc(Cl)cc1 ZINC000904651934 1317876475 /nfs/dbraw/zinc/87/64/75/1317876475.db2.gz KLBREVIBEKOAHL-QGZVFWFLSA-N 2 0 346.862 3.223 20 0 EGADRP CC[NH+]1CCC([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809754623 1317891406 /nfs/dbraw/zinc/89/14/06/1317891406.db2.gz LAUNWFGPPUBGJP-MRXNPFEDSA-N 2 0 331.287 3.491 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2cn[nH]c2)ccc1OC ZINC000810248587 1317985041 /nfs/dbraw/zinc/98/50/41/1317985041.db2.gz YCOPPIWFIYMFKT-OAHLLOKOSA-N 2 0 330.476 3.153 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001020906710 1317992413 /nfs/dbraw/zinc/99/24/13/1317992413.db2.gz IQVLGDPTHVSALZ-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020908672 1317993651 /nfs/dbraw/zinc/99/36/51/1317993651.db2.gz HUIDKRDELOGEQM-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001021090206 1318078702 /nfs/dbraw/zinc/07/87/02/1318078702.db2.gz FSLUEOCMRDJLLZ-PSBWJHGTSA-N 2 0 347.547 3.066 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001021090205 1318079078 /nfs/dbraw/zinc/07/90/78/1318079078.db2.gz FSLUEOCMRDJLLZ-CAMMJAKZSA-N 2 0 347.547 3.066 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001021380437 1318223446 /nfs/dbraw/zinc/22/34/46/1318223446.db2.gz GNHTZICWBXVEMT-OHSMVPPVSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000960041621 1318324070 /nfs/dbraw/zinc/32/40/70/1318324070.db2.gz BIBCSGUTCUITKQ-AYOQOUSVSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1F)[NH+](C)C ZINC000960042332 1318324991 /nfs/dbraw/zinc/32/49/91/1318324991.db2.gz GIDHGUJIEZEOAI-JTDSTZFVSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC000960042653 1318326033 /nfs/dbraw/zinc/32/60/33/1318326033.db2.gz ILETZZDKCIZZHL-VQTJNVASSA-N 2 0 345.531 3.114 20 0 EGADRP CN(C)[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC000908497472 1318354980 /nfs/dbraw/zinc/35/49/80/1318354980.db2.gz CWELOTCWPLZJHK-IBGZPJMESA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccc(CCC2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000908723806 1318395983 /nfs/dbraw/zinc/39/59/83/1318395983.db2.gz CTVWCSQVKUHIBV-OAQYLSRUSA-N 2 0 330.516 3.096 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000812673679 1318439437 /nfs/dbraw/zinc/43/94/37/1318439437.db2.gz WQWFVOMUGMMJFA-QGZVFWFLSA-N 2 0 348.535 3.010 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691372 1318567030 /nfs/dbraw/zinc/56/70/30/1318567030.db2.gz OWGRJICDVZMDNS-UXHICEINSA-N 2 0 343.515 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960664724 1318782467 /nfs/dbraw/zinc/78/24/67/1318782467.db2.gz KRVYSTYWCORMBU-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001022077473 1318791729 /nfs/dbraw/zinc/79/17/29/1318791729.db2.gz POYWGWSVACEQOD-YSTOQKLRSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001022077068 1318791900 /nfs/dbraw/zinc/79/19/00/1318791900.db2.gz JKVIDLBKSIAWDJ-KDURUIRLSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960688232 1318794731 /nfs/dbraw/zinc/79/47/31/1318794731.db2.gz FNMOGOSGJWHTGQ-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022164485 1318825187 /nfs/dbraw/zinc/82/51/87/1318825187.db2.gz LCUDCTCODMVOHK-HSALFYBXSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC000960731467 1318834204 /nfs/dbraw/zinc/83/42/04/1318834204.db2.gz UXETVNZOQMMIIZ-LJQANCHMSA-N 2 0 345.531 3.038 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001022278001 1318872455 /nfs/dbraw/zinc/87/24/55/1318872455.db2.gz FFRUWUKKWQSPOZ-WCIQWLHISA-N 2 0 347.547 3.211 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001022291372 1318881018 /nfs/dbraw/zinc/88/10/18/1318881018.db2.gz YKHRHIYYNQAUFJ-ZXFNITATSA-N 2 0 349.906 3.122 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001022363729 1318907665 /nfs/dbraw/zinc/90/76/65/1318907665.db2.gz ZUEOHUDONTXIEM-KDURUIRLSA-N 2 0 347.547 3.212 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1C ZINC001022370858 1318908423 /nfs/dbraw/zinc/90/84/23/1318908423.db2.gz ZPNWHEJHQVBBAW-KDURUIRLSA-N 2 0 348.450 3.002 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001022601158 1319009777 /nfs/dbraw/zinc/00/97/77/1319009777.db2.gz FIFWKHAEXMVENK-XCZFOBESSA-N 2 0 343.515 3.105 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(C)ccc1C)[NH+](C)C ZINC000960868914 1319013495 /nfs/dbraw/zinc/01/34/95/1319013495.db2.gz LYQPVIBYRDPFED-UXHICEINSA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960903860 1319047523 /nfs/dbraw/zinc/04/75/23/1319047523.db2.gz DPBVGOATVJJHGJ-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022711989 1319079755 /nfs/dbraw/zinc/07/97/55/1319079755.db2.gz HYPDYHUGZYTEGX-YTQUADARSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001023088996 1319257346 /nfs/dbraw/zinc/25/73/46/1319257346.db2.gz UCWGJKISUPOBGQ-FFZOFVMBSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000961192519 1319307703 /nfs/dbraw/zinc/30/77/03/1319307703.db2.gz ZOHLDKGRUVUHDB-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281777 1319438155 /nfs/dbraw/zinc/43/81/55/1319438155.db2.gz IDKJCWWENKKCBA-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817894710 1319453272 /nfs/dbraw/zinc/45/32/72/1319453272.db2.gz NCVPKLFRVPBHJQ-VNTMZGSJSA-N 2 0 332.488 3.018 20 0 EGADRP Cc1cccc(F)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817898030 1319455382 /nfs/dbraw/zinc/45/53/82/1319455382.db2.gz YTDJOFUYQJGUQI-ICSRJNTNSA-N 2 0 326.415 3.480 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)c1c(Cl)cccc1Cl ZINC000817919495 1319460058 /nfs/dbraw/zinc/46/00/58/1319460058.db2.gz RVHFKEWGMPYOTR-AUWGCGBHSA-N 2 0 329.271 3.288 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000817923183 1319462127 /nfs/dbraw/zinc/46/21/27/1319462127.db2.gz TZDCJWDNXXSKDE-HCXYKTFWSA-N 2 0 336.907 3.448 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817931318 1319464729 /nfs/dbraw/zinc/46/47/29/1319464729.db2.gz LDYNQODBRNQORZ-HPUBIQBYSA-N 2 0 331.460 3.201 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000817948590 1319473425 /nfs/dbraw/zinc/47/34/25/1319473425.db2.gz BWCIEUKAPQUFLZ-LPHOPBHVSA-N 2 0 333.520 3.330 20 0 EGADRP COc1ccc([C@@H](C)NC[C@@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000817959474 1319478115 /nfs/dbraw/zinc/47/81/15/1319478115.db2.gz ROOVZZHLEYCKKY-VQIMIIECSA-N 2 0 333.520 3.315 20 0 EGADRP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817966440 1319479139 /nfs/dbraw/zinc/47/91/39/1319479139.db2.gz NYTUNENPIQEAKD-GPMSIDNRSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Br)ncc1F ZINC000817987829 1319486657 /nfs/dbraw/zinc/48/66/57/1319486657.db2.gz YNVJWLAQYIDNLB-NNYUYHANSA-N 2 0 342.256 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001023381085 1319488491 /nfs/dbraw/zinc/48/84/91/1319488491.db2.gz MVVWBKZMSJNOLI-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023395157 1319500276 /nfs/dbraw/zinc/50/02/76/1319500276.db2.gz BNOKDKAEJRBAAB-INIZCTEOSA-N 2 0 349.544 3.052 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023402838 1319509058 /nfs/dbraw/zinc/50/90/58/1319509058.db2.gz UPQVXLZYMUPYKZ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023402566 1319510418 /nfs/dbraw/zinc/51/04/18/1319510418.db2.gz OGAMBSVUVXQVOY-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373119 1319528782 /nfs/dbraw/zinc/52/87/82/1319528782.db2.gz GLELEIMTZHOKQN-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000961375758 1319531709 /nfs/dbraw/zinc/53/17/09/1319531709.db2.gz XGBIYWPMYAHJRP-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001023445754 1319545780 /nfs/dbraw/zinc/54/57/80/1319545780.db2.gz AOPSJTLYFHMOQV-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961434750 1319588770 /nfs/dbraw/zinc/58/87/70/1319588770.db2.gz HHDUWFGXFNXVNB-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000818985634 1319605467 /nfs/dbraw/zinc/60/54/67/1319605467.db2.gz UEVZHPZTDHUJNO-DYVFJYSZSA-N 2 0 328.859 3.223 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000819015657 1319614622 /nfs/dbraw/zinc/61/46/22/1319614622.db2.gz MTMLEJAWNLELEY-RXVVDRJESA-N 2 0 342.458 3.013 20 0 EGADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819142549 1319647398 /nfs/dbraw/zinc/64/73/98/1319647398.db2.gz OEBYYRDDCCHXOD-MHJFOBGBSA-N 2 0 346.515 3.121 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)CCCC1 ZINC000819227800 1319674992 /nfs/dbraw/zinc/67/49/92/1319674992.db2.gz PZCKXDRJSFJYCW-INIZCTEOSA-N 2 0 328.859 3.224 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588933 1319710075 /nfs/dbraw/zinc/71/00/75/1319710075.db2.gz OMQWBGULSSHABX-IBGZPJMESA-N 2 0 345.531 3.033 20 0 EGADRP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000820806206 1319954911 /nfs/dbraw/zinc/95/49/11/1319954911.db2.gz CDYRTHSMQPLVIH-NXEWRWPSSA-N 2 0 340.467 3.488 20 0 EGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C2 ZINC000820829939 1319964245 /nfs/dbraw/zinc/96/42/45/1319964245.db2.gz NPOZJQQULOZFLZ-HNAYVOBHSA-N 2 0 340.467 3.411 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)CC1 ZINC000962479108 1319975946 /nfs/dbraw/zinc/97/59/46/1319975946.db2.gz DOXUFTFJPOAONY-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1C[C@H](NCc2cc(C3CC3)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000823966681 1320219330 /nfs/dbraw/zinc/21/93/30/1320219330.db2.gz ZOUPRWKTIQBTSM-QFBILLFUSA-N 2 0 338.499 3.440 20 0 EGADRP C[C@@H]1CCCN1CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824098593 1320228925 /nfs/dbraw/zinc/22/89/25/1320228925.db2.gz MMNVBIYIYOCIQB-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)(C)OC(=O)NCCC1CC([NH2+][C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000826872402 1320411008 /nfs/dbraw/zinc/41/10/08/1320411008.db2.gz MBKPDWFOSMVKBZ-HWOWSKLDSA-N 2 0 339.524 3.142 20 0 EGADRP CCCCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C(C)(C)C ZINC000839544136 1320935869 /nfs/dbraw/zinc/93/58/69/1320935869.db2.gz HTXJXVQTGRIWNR-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCCC1 ZINC000839590098 1320941941 /nfs/dbraw/zinc/94/19/41/1320941941.db2.gz RBUSTHYMUXSVSO-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OC(=O)CC ZINC000841027430 1321203626 /nfs/dbraw/zinc/20/36/26/1321203626.db2.gz AZGRLIFOEYQRFA-HOTGVXAUSA-N 2 0 334.460 3.008 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OC(=O)CC ZINC000841027433 1321203891 /nfs/dbraw/zinc/20/38/91/1321203891.db2.gz AZGRLIFOEYQRFA-JKSUJKDBSA-N 2 0 334.460 3.008 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2ccc(Cl)nc2)cc1 ZINC000841074222 1321213569 /nfs/dbraw/zinc/21/35/69/1321213569.db2.gz TXXSREAOLJVUQL-WBVHZDCISA-N 2 0 333.838 3.357 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)c2c(F)cccc2F)cc1 ZINC000859214713 1328948375 /nfs/dbraw/zinc/94/83/75/1328948375.db2.gz RSWMUHAKRCSGDL-GOSISDBHSA-N 2 0 334.410 3.192 20 0 EGADRP Cc1cccc(NC(=O)N2CC[NH+](CCCCCCC[NH3+])CC2)c1 ZINC000842472166 1321392699 /nfs/dbraw/zinc/39/26/99/1321392699.db2.gz TYIXFELREUKYAE-UHFFFAOYSA-N 2 0 332.492 3.054 20 0 EGADRP CC(C)[C@@H]([NH3+])c1noc(-c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000843153911 1321479505 /nfs/dbraw/zinc/47/95/05/1321479505.db2.gz PWQYMEMSRWTGHD-CKEIUWERSA-N 2 0 344.459 3.002 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000843342369 1321502648 /nfs/dbraw/zinc/50/26/48/1321502648.db2.gz LEJSLSUUSZWPDY-MRXNPFEDSA-N 2 0 325.294 3.415 20 0 EGADRP CCCN(C(=O)CCCCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844174204 1321576238 /nfs/dbraw/zinc/57/62/38/1321576238.db2.gz PTXZABWLOHLAST-FQEVSTJZSA-N 2 0 345.531 3.409 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845943084 1321756347 /nfs/dbraw/zinc/75/63/47/1321756347.db2.gz ZFIPLWFHQKJSAI-XGHPGWEVSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846220005 1321777812 /nfs/dbraw/zinc/77/78/12/1321777812.db2.gz INQFUBRCCJTLTJ-INIZCTEOSA-N 2 0 346.544 3.494 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc2nonc12 ZINC000846770607 1321806996 /nfs/dbraw/zinc/80/69/96/1321806996.db2.gz VOQXYOVADZPQNS-UHFFFAOYSA-N 2 0 328.460 3.311 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC000848720636 1322000424 /nfs/dbraw/zinc/00/04/24/1322000424.db2.gz QFJBHIXXQSZWFC-VQTJNVASSA-N 2 0 338.451 3.403 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000848888202 1322030390 /nfs/dbraw/zinc/03/03/90/1322030390.db2.gz OOWMXPJEEVNLEO-HJWRWDBZSA-N 2 0 334.460 3.020 20 0 EGADRP C[C@@H]1C[C@@H](CCNC(=[NH2+])NCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989919 1322056426 /nfs/dbraw/zinc/05/64/26/1322056426.db2.gz LHAFCWKIRXTBSN-VQIMIIECSA-N 2 0 328.504 3.201 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)CC1 ZINC000848996932 1322057944 /nfs/dbraw/zinc/05/79/44/1322057944.db2.gz WAVCAINXKVDIBG-UHFFFAOYSA-N 2 0 328.504 3.475 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000848998481 1322057972 /nfs/dbraw/zinc/05/79/72/1322057972.db2.gz MCCHPRHDHKHKQR-SFHVURJKSA-N 2 0 346.519 3.006 20 0 EGADRP Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000849062607 1322063425 /nfs/dbraw/zinc/06/34/25/1322063425.db2.gz VBXKLBYAFRIPBX-UHFFFAOYSA-N 2 0 340.471 3.380 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=[NH2+])NCC2CCC2)c2ccccc2)CC1 ZINC000849065032 1322064344 /nfs/dbraw/zinc/06/43/44/1322064344.db2.gz KJEMUDSJWWEDIK-IBGZPJMESA-N 2 0 328.504 3.374 20 0 EGADRP CC(C)C[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[NH+](C)C ZINC000849082999 1322071279 /nfs/dbraw/zinc/07/12/79/1322071279.db2.gz IGRROAUGLARHAY-CYBMUJFWSA-N 2 0 346.397 3.498 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849107714 1322081649 /nfs/dbraw/zinc/08/16/49/1322081649.db2.gz MNHFVIRVTXSFHQ-YJBOKZPZSA-N 2 0 334.508 3.493 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc2c(c1)CCCO2 ZINC000850445409 1322250958 /nfs/dbraw/zinc/25/09/58/1322250958.db2.gz CUKDUXJPFKHVEX-YSSFQJQWSA-N 2 0 344.499 3.040 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000921666258 1322374458 /nfs/dbraw/zinc/37/44/58/1322374458.db2.gz CEMRVFYTKONRFN-ZCNNSNEGSA-N 2 0 347.572 3.239 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000921696143 1322380225 /nfs/dbraw/zinc/38/02/25/1322380225.db2.gz GHWKHOMYQRZAOK-AZUAARDMSA-N 2 0 348.556 3.407 20 0 EGADRP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000922136424 1322463492 /nfs/dbraw/zinc/46/34/92/1322463492.db2.gz WMKFDQPRHAYGHC-SJORKVTESA-N 2 0 337.533 3.176 20 0 EGADRP FC(F)(F)c1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312756 1322731261 /nfs/dbraw/zinc/73/12/61/1322731261.db2.gz PWTGOKKIFUBLMM-CJNGLKHVSA-N 2 0 340.389 3.221 20 0 EGADRP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313137 1322731488 /nfs/dbraw/zinc/73/14/88/1322731488.db2.gz VKGCMNIRLOMTFY-KEAPPQJHSA-N 2 0 328.500 3.495 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321220 1322733516 /nfs/dbraw/zinc/73/35/16/1322733516.db2.gz AIWLNWVUINCYON-XNPMUHQXSA-N 3 0 333.564 3.494 20 0 EGADRP C(C[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1)[C@@H]1CCC[NH2+]C1 ZINC000923442754 1322752788 /nfs/dbraw/zinc/75/27/88/1322752788.db2.gz TXUFGWRYPCGSRY-INIZCTEOSA-N 2 0 333.545 3.276 20 0 EGADRP Cn1c2ccccc2nc1CC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506303 1322764642 /nfs/dbraw/zinc/76/46/42/1322764642.db2.gz HMRDJHRZVZASSM-KRWDZBQOSA-N 2 0 340.515 3.218 20 0 EGADRP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923531393 1322770512 /nfs/dbraw/zinc/77/05/12/1322770512.db2.gz PKGOSINYQCRUSK-ZBFHGGJFSA-N 2 0 340.920 3.177 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cccc(C[NH+](C)C)c1 ZINC000924552246 1323052750 /nfs/dbraw/zinc/05/27/50/1323052750.db2.gz IFVZMMWOEDNCKN-HNNXBMFYSA-N 2 0 326.440 3.370 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000924586258 1323064618 /nfs/dbraw/zinc/06/46/18/1323064618.db2.gz IUXFYXZEOITOKO-FQEVSTJZSA-N 2 0 344.499 3.100 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024009979 1323078486 /nfs/dbraw/zinc/07/84/86/1323078486.db2.gz COPRXGFVPOTJBL-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024047440 1323097459 /nfs/dbraw/zinc/09/74/59/1323097459.db2.gz SVGNGIDIMAHBOP-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CON1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000924670685 1323103864 /nfs/dbraw/zinc/10/38/64/1323103864.db2.gz LSHKNZMYXOHYDT-QGZVFWFLSA-N 2 0 331.504 3.176 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024118599 1323148618 /nfs/dbraw/zinc/14/86/18/1323148618.db2.gz GMAKMJRQENKOMQ-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001024156926 1323179933 /nfs/dbraw/zinc/17/99/33/1323179933.db2.gz VGYURPBJGXKQDN-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001024161859 1323180341 /nfs/dbraw/zinc/18/03/41/1323180341.db2.gz OMNMMBFYPXFGCE-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024186244 1323198051 /nfs/dbraw/zinc/19/80/51/1323198051.db2.gz NTPALXLTPWHDDY-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001024188957 1323200487 /nfs/dbraw/zinc/20/04/87/1323200487.db2.gz SOORHTVVVRYLGW-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024232377 1323220644 /nfs/dbraw/zinc/22/06/44/1323220644.db2.gz PYGQNJVVBFUEAQ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000924959671 1323228239 /nfs/dbraw/zinc/22/82/39/1323228239.db2.gz LBJBASPFTUWTQU-KNBMTAEXSA-N 2 0 349.494 3.101 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1coc2ccccc12 ZINC000925042737 1323253931 /nfs/dbraw/zinc/25/39/31/1323253931.db2.gz SWPGZXOCBBMIRO-CVEARBPZSA-N 2 0 327.472 3.252 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)c2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000853104794 1323282906 /nfs/dbraw/zinc/28/29/06/1323282906.db2.gz XNLBHWBGXJZQKP-LMNJBCLMSA-N 2 0 339.483 3.005 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCCC1 ZINC001024365950 1323337664 /nfs/dbraw/zinc/33/76/64/1323337664.db2.gz KXKICFMQUIFEMS-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC1CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440953 1323403583 /nfs/dbraw/zinc/40/35/83/1323403583.db2.gz VTKWIMAQEHJQEZ-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001024446944 1323405147 /nfs/dbraw/zinc/40/51/47/1323405147.db2.gz LVKOYUFKBMCPEV-YZGWKJHDSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCC2)CC[N@@H+]1C ZINC001024448199 1323407598 /nfs/dbraw/zinc/40/75/98/1323407598.db2.gz FKARYXRZISYZFT-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024813379 1323715092 /nfs/dbraw/zinc/71/50/92/1323715092.db2.gz AXAVEISCNQXHJE-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025085558 1323886239 /nfs/dbraw/zinc/88/62/39/1323886239.db2.gz SGMJIWWUUVPGHP-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001025168410 1323937407 /nfs/dbraw/zinc/93/74/07/1323937407.db2.gz CEFDTEGFDKRVSN-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240866 1324034462 /nfs/dbraw/zinc/03/44/62/1324034462.db2.gz RRCMBFXJLZHWAT-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025245917 1324044289 /nfs/dbraw/zinc/04/42/89/1324044289.db2.gz AEFCZBHUEKXAMU-RBUKOAKNSA-N 2 0 340.471 3.203 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279653 1324101930 /nfs/dbraw/zinc/10/19/30/1324101930.db2.gz FVOYQWWGDWNHHV-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627765 1324478435 /nfs/dbraw/zinc/47/84/35/1324478435.db2.gz LJGNCCLNQKAQGQ-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)CC1 ZINC001026572035 1324904995 /nfs/dbraw/zinc/90/49/95/1324904995.db2.gz ZJGZSTCWUKSTIV-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CC1CC[NH+](CC(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)CC1 ZINC001026582435 1324910845 /nfs/dbraw/zinc/91/08/45/1324910845.db2.gz FJJLQZLMKWPDIV-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026590299 1324915816 /nfs/dbraw/zinc/91/58/16/1324915816.db2.gz BLAWHSDVBWBTNY-SOAGJPPSSA-N 2 0 349.563 3.458 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026886789 1325062054 /nfs/dbraw/zinc/06/20/54/1325062054.db2.gz FOWVNKBYFSKEAK-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000925157305 1325069156 /nfs/dbraw/zinc/06/91/56/1325069156.db2.gz QPEAORNHIFPXPC-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCOCCF)cc1C[NH+]1CCCCC1 ZINC000853239041 1325069246 /nfs/dbraw/zinc/06/92/46/1325069246.db2.gz YFRKMYVMCMWCDX-INIZCTEOSA-N 2 0 338.467 3.318 20 0 EGADRP CCS[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000925219974 1325084990 /nfs/dbraw/zinc/08/49/90/1325084990.db2.gz YFDWMQZNEGCQBE-AJYUKVHDSA-N 2 0 326.550 3.282 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000925241752 1325093056 /nfs/dbraw/zinc/09/30/56/1325093056.db2.gz SGJDYXVNWHGQCE-PZJWPPBQSA-N 2 0 341.499 3.426 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310266 1325095036 /nfs/dbraw/zinc/09/50/36/1325095036.db2.gz CWQAUNVLIMUYHJ-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001026988695 1325127039 /nfs/dbraw/zinc/12/70/39/1325127039.db2.gz MZVLPUFWZUEMJT-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001026989033 1325128277 /nfs/dbraw/zinc/12/82/77/1325128277.db2.gz VXDXUSAWRYDACD-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP OCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000925458939 1325160501 /nfs/dbraw/zinc/16/05/01/1325160501.db2.gz CUJRNQONBGTHMC-OTYNDTSQSA-N 2 0 328.500 3.323 20 0 EGADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)[NH2+]2 ZINC000925513439 1325185557 /nfs/dbraw/zinc/18/55/57/1325185557.db2.gz JXWIPDSLASCLPM-VVHHDAOASA-N 2 0 347.934 3.423 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCCN(c3ccccc3Cl)C1)[NH2+]2 ZINC000925519044 1325187678 /nfs/dbraw/zinc/18/76/78/1325187678.db2.gz BJGISFZCSBLFSY-SQDXWYPISA-N 2 0 333.907 3.427 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001027065890 1325201035 /nfs/dbraw/zinc/20/10/35/1325201035.db2.gz GMBATZDKGKRCPE-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CCCNC(=O)c1cccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925559721 1325209377 /nfs/dbraw/zinc/20/93/77/1325209377.db2.gz CDQHUPAUKOTGBE-FQEVSTJZSA-N 2 0 339.483 3.396 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C12CCC2 ZINC000925568255 1325214834 /nfs/dbraw/zinc/21/48/34/1325214834.db2.gz NSZQUGLPORLONP-MSOLQXFVSA-N 2 0 327.403 3.373 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925655064 1325250715 /nfs/dbraw/zinc/25/07/15/1325250715.db2.gz UHVRLLOFTMGQLV-CEMLEFRQSA-N 2 0 341.543 3.266 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000925738317 1325275361 /nfs/dbraw/zinc/27/53/61/1325275361.db2.gz QGISFNDOOJVOKX-HNNXBMFYSA-N 2 0 325.294 3.487 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC000963632177 1325348426 /nfs/dbraw/zinc/34/84/26/1325348426.db2.gz PTGYNVXJFGUGSZ-MBEFBZSESA-N 2 0 347.547 3.068 20 0 EGADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963727850 1325389077 /nfs/dbraw/zinc/38/90/77/1325389077.db2.gz GJNJFCODFZNTIN-MHJFOBGBSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000926285068 1325503562 /nfs/dbraw/zinc/50/35/62/1325503562.db2.gz OHHIFSOHFIGMIV-SFTDATJTSA-N 2 0 348.506 3.392 20 0 EGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857132260 1325578368 /nfs/dbraw/zinc/57/83/68/1325578368.db2.gz ZIJLMFSAUVYKOA-UXHICEINSA-N 2 0 343.515 3.100 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926553727 1327613594 /nfs/dbraw/zinc/61/35/94/1327613594.db2.gz AILDOCMKRLPPRJ-KFKAGJAMSA-N 2 0 342.487 3.053 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027409842 1327636043 /nfs/dbraw/zinc/63/60/43/1327636043.db2.gz OTTLXWCOHXGRLN-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027410669 1327636368 /nfs/dbraw/zinc/63/63/68/1327636368.db2.gz YKAKEWDPKRCLRG-RTBURBONSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027429941 1327669203 /nfs/dbraw/zinc/66/92/03/1327669203.db2.gz JZQWVHSSEQKDSQ-INIZCTEOSA-N 2 0 337.533 3.002 20 0 EGADRP Cc1nonc1[C@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000926786141 1327717270 /nfs/dbraw/zinc/71/72/70/1327717270.db2.gz CIQDLFNMFRLLQJ-HNNXBMFYSA-N 2 0 328.460 3.331 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477294 1327731577 /nfs/dbraw/zinc/73/15/77/1327731577.db2.gz FIOLRCBLVHYQTF-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926889614 1327759324 /nfs/dbraw/zinc/75/93/24/1327759324.db2.gz MAAUDZIERNMUFA-QRWLVFNGSA-N 2 0 330.447 3.446 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]4OC(C)(C)O[C@H]4C3)CC2)C1 ZINC000927058180 1327833732 /nfs/dbraw/zinc/83/37/32/1327833732.db2.gz OSXRTKBOUSYMAM-SJQORLFUSA-N 2 0 336.520 3.302 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555070 1327862183 /nfs/dbraw/zinc/86/21/83/1327862183.db2.gz CHCAJWDTPICVQW-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC3CCC3)C2)cc1 ZINC001027614973 1327978144 /nfs/dbraw/zinc/97/81/44/1327978144.db2.gz JSRCYLLJNSBENQ-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001027695400 1328102607 /nfs/dbraw/zinc/10/26/07/1328102607.db2.gz UGSJOIYMWWMTTO-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000928011773 1328170846 /nfs/dbraw/zinc/17/08/46/1328170846.db2.gz GJAZTNNRSKFJNM-ZJRDLVKKSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000928012996 1328171704 /nfs/dbraw/zinc/17/17/04/1328171704.db2.gz PFLCWNKJYRXADU-PGYGNJIDSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027971353 1328442987 /nfs/dbraw/zinc/44/29/87/1328442987.db2.gz FGYQBJHCVKQWOW-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027986423 1328458112 /nfs/dbraw/zinc/45/81/12/1328458112.db2.gz WUSQNDCLYJUHSV-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000863315260 1329545765 /nfs/dbraw/zinc/54/57/65/1329545765.db2.gz QTNCYPMJFVKABJ-UZLBHIALSA-N 2 0 349.519 3.009 20 0 EGADRP C[C@@H](C[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000863315257 1329545847 /nfs/dbraw/zinc/54/58/47/1329545847.db2.gz QTNCYPMJFVKABJ-JXFKEZNVSA-N 2 0 349.519 3.009 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865435059 1329696930 /nfs/dbraw/zinc/69/69/30/1329696930.db2.gz BEWBPEXHYYSPBF-AWEZNQCLSA-N 2 0 348.441 3.185 20 0 EGADRP CN(C)c1ccc(F)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000865437699 1329697143 /nfs/dbraw/zinc/69/71/43/1329697143.db2.gz SBIFGRWUEFMCQV-UHFFFAOYSA-N 2 0 345.462 3.122 20 0 EGADRP Cc1c(Cl)cccc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000865514963 1329708056 /nfs/dbraw/zinc/70/80/56/1329708056.db2.gz WEHAXEHJYZXDTC-UHFFFAOYSA-N 2 0 333.863 3.274 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865576788 1329715603 /nfs/dbraw/zinc/71/56/03/1329715603.db2.gz CDSQPCQPMKYMKZ-ZDUSSCGKSA-N 2 0 331.382 3.038 20 0 EGADRP Cc1cc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000865717668 1329732107 /nfs/dbraw/zinc/73/21/07/1329732107.db2.gz ICYRLLHACJLBTD-UHFFFAOYSA-N 2 0 326.488 3.120 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000865717233 1329732133 /nfs/dbraw/zinc/73/21/33/1329732133.db2.gz SSCLNCSYHZAZEI-OAQYLSRUSA-N 2 0 346.515 3.454 20 0 EGADRP Cc1nn2c(C[NH2+]CCC3CC[NH+](C(C)C)CC3)c(C)nc2s1 ZINC000865717275 1329732269 /nfs/dbraw/zinc/73/22/69/1329732269.db2.gz VQEBLZBNTNRREQ-UHFFFAOYSA-N 2 0 335.521 3.008 20 0 EGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[NH2+]C(C)(C)C ZINC000933860910 1329929059 /nfs/dbraw/zinc/92/90/59/1329929059.db2.gz OERBDYOSYUHXJB-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000934947115 1330019506 /nfs/dbraw/zinc/01/95/06/1330019506.db2.gz GBEFJQFETHHFFQ-LJQANCHMSA-N 2 0 329.488 3.402 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000936027024 1330106818 /nfs/dbraw/zinc/10/68/18/1330106818.db2.gz KPPFQJTXJPDGHA-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666815 1330139522 /nfs/dbraw/zinc/13/95/22/1330139522.db2.gz XOKNRERZWZHRSD-HRCADAONSA-N 2 0 349.906 3.297 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666324 1330139540 /nfs/dbraw/zinc/13/95/40/1330139540.db2.gz QJHQBJPTRMNOOH-ZIFCJYIRSA-N 2 0 329.488 3.034 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942101714 1331830555 /nfs/dbraw/zinc/83/05/55/1331830555.db2.gz SPVSKFBGGWRSFQ-RHSMWYFYSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942302118 1331898543 /nfs/dbraw/zinc/89/85/43/1331898543.db2.gz IWSIHVQSAXHBIT-YJBOKZPZSA-N 2 0 342.487 3.211 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530483 1331958833 /nfs/dbraw/zinc/95/88/33/1331958833.db2.gz SLCSHNJFVRHUEA-PXNSSMCTSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597032 1331995507 /nfs/dbraw/zinc/99/55/07/1331995507.db2.gz IAAAGXHOYNNWJX-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596786 1331995653 /nfs/dbraw/zinc/99/56/53/1331995653.db2.gz GFDYNXIEXYFIHA-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289315 1332138963 /nfs/dbraw/zinc/13/89/63/1332138963.db2.gz PZBLUEDSMHRKAM-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089330 1332496901 /nfs/dbraw/zinc/49/69/01/1332496901.db2.gz FZUAPTAOSUMUHQ-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361227 1333102856 /nfs/dbraw/zinc/10/28/56/1333102856.db2.gz MRWFNOKKEJETHW-ZBFHGGJFSA-N 2 0 337.533 3.048 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362459 1333104022 /nfs/dbraw/zinc/10/40/22/1333104022.db2.gz XDKKWOKABLOMKQ-GOEBONIOSA-N 2 0 337.533 3.193 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947471710 1333141800 /nfs/dbraw/zinc/14/18/00/1333141800.db2.gz DZFKQYBUQVPWKK-WMLDXEAASA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947492756 1333145661 /nfs/dbraw/zinc/14/56/61/1333145661.db2.gz NGZKIMWBIIZVRK-FUHWJXTLSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCCC1CCC1 ZINC000947725863 1333241450 /nfs/dbraw/zinc/24/14/50/1333241450.db2.gz DYULJPBRZQYHKX-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCC1 ZINC000948038767 1333349441 /nfs/dbraw/zinc/34/94/41/1333349441.db2.gz BGFFDHHTLSWGKX-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056589 1333357870 /nfs/dbraw/zinc/35/78/70/1333357870.db2.gz LTDUVXOOLALZBG-PXNSSMCTSA-N 2 0 343.515 3.297 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948553857 1333572348 /nfs/dbraw/zinc/57/23/48/1333572348.db2.gz NJSKKDBBLHQURG-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948553666 1333572599 /nfs/dbraw/zinc/57/25/99/1333572599.db2.gz JYUSQDKCODDWDI-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948574509 1333583074 /nfs/dbraw/zinc/58/30/74/1333583074.db2.gz GXEOCAFXYRKNIH-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000948589389 1333586653 /nfs/dbraw/zinc/58/66/53/1333586653.db2.gz APRRTWBDCQEWAN-QTONRWBISA-N 2 0 346.862 3.013 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948711872 1333643760 /nfs/dbraw/zinc/64/37/60/1333643760.db2.gz VKLQBVZXILYEJW-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948725815 1333648033 /nfs/dbraw/zinc/64/80/33/1333648033.db2.gz IVQHBCSEBTVDSE-SFHVURJKSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000948755761 1333663336 /nfs/dbraw/zinc/66/33/36/1333663336.db2.gz KRCTWSNHKBZRAN-FQEVSTJZSA-N 2 0 347.547 3.284 20 0 EGADRP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000951380606 1334235110 /nfs/dbraw/zinc/23/51/10/1334235110.db2.gz XCNMEDNLHAVZOT-JEVOJNTISA-N 2 0 349.563 3.076 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396867 1335725570 /nfs/dbraw/zinc/72/55/70/1335725570.db2.gz IUBWRPWRAQGXSD-HNAYVOBHSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968332748 1335892005 /nfs/dbraw/zinc/89/20/05/1335892005.db2.gz YLMKVOFKALVVTE-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000968673163 1336004905 /nfs/dbraw/zinc/00/49/05/1336004905.db2.gz RKZOPVHCQMDTOO-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858377 1336070654 /nfs/dbraw/zinc/07/06/54/1336070654.db2.gz CSWBLFIYFHLUQO-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968915018 1336087747 /nfs/dbraw/zinc/08/77/47/1336087747.db2.gz ABFXRJSWIBJMBF-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CC2)ccc2c[nH+]cn21 ZINC000968925484 1336091355 /nfs/dbraw/zinc/09/13/55/1336091355.db2.gz FFFIOYRTMQBUKL-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926220 1336091855 /nfs/dbraw/zinc/09/18/55/1336091855.db2.gz XMKVPUYDEHIVPM-MRXNPFEDSA-N 2 0 328.460 3.027 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000969458545 1336213622 /nfs/dbraw/zinc/21/36/22/1336213622.db2.gz SPBZILJXMDAOPE-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325835 1336294689 /nfs/dbraw/zinc/29/46/89/1336294689.db2.gz KHLQKOHPWMPEPM-APWZRJJASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970528498 1336317775 /nfs/dbraw/zinc/31/77/75/1336317775.db2.gz HHKKQLUGRJOCKD-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970719502 1336335379 /nfs/dbraw/zinc/33/53/79/1336335379.db2.gz SBBZTDGYQQJIIY-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC000970718984 1336335472 /nfs/dbraw/zinc/33/54/72/1336335472.db2.gz NWCOPBDRMRXPLP-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503915 1336363457 /nfs/dbraw/zinc/36/34/57/1336363457.db2.gz LLEHRBHAGVUSOZ-IBGZPJMESA-N 2 0 337.552 3.218 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005661377 1336388491 /nfs/dbraw/zinc/38/84/91/1336388491.db2.gz SMEUCCJUQKGAOB-UHFFFAOYSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001006000255 1336435963 /nfs/dbraw/zinc/43/59/63/1336435963.db2.gz HAVRBYPLHIXBRK-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006134705 1336457262 /nfs/dbraw/zinc/45/72/62/1336457262.db2.gz XJLSRDQCRNZLNT-QGZVFWFLSA-N 2 0 345.531 3.331 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001006278646 1336480911 /nfs/dbraw/zinc/48/09/11/1336480911.db2.gz MMENBAAKDHOTTH-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001006278485 1336480976 /nfs/dbraw/zinc/48/09/76/1336480976.db2.gz LLDWPFAYXAOVMB-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)c1 ZINC001006412582 1336501152 /nfs/dbraw/zinc/50/11/52/1336501152.db2.gz HHQKNMKLIDIGCT-SFHVURJKSA-N 2 0 343.515 3.075 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006435355 1336505589 /nfs/dbraw/zinc/50/55/89/1336505589.db2.gz NWKXNLMWRVSFNC-QGZVFWFLSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006441091 1336506381 /nfs/dbraw/zinc/50/63/81/1336506381.db2.gz BXYONRXHCFHKFT-CALCHBBNSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006442600 1336507165 /nfs/dbraw/zinc/50/71/65/1336507165.db2.gz JLEVQNZTCGTCQP-IRXDYDNUSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006444115 1336507514 /nfs/dbraw/zinc/50/75/14/1336507514.db2.gz RTOBLDJJLVSSLD-HDICACEKSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001007500820 1336658882 /nfs/dbraw/zinc/65/88/82/1336658882.db2.gz VUDAEOGCIAHUHG-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008053099 1336759331 /nfs/dbraw/zinc/75/93/31/1336759331.db2.gz RFNWNJYNUFVFPG-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001008762654 1336922371 /nfs/dbraw/zinc/92/23/71/1336922371.db2.gz VSZPZZMWDWRAQB-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001014446424 1337779723 /nfs/dbraw/zinc/77/97/23/1337779723.db2.gz GBEZMIYUVMVGQV-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCC1 ZINC001014447844 1337780296 /nfs/dbraw/zinc/78/02/96/1337780296.db2.gz QHHJFOMRQBRYDQ-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015116015 1338023521 /nfs/dbraw/zinc/02/35/21/1338023521.db2.gz ZCYNGOFJQFVHBA-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291559 1338086782 /nfs/dbraw/zinc/08/67/82/1338086782.db2.gz SVLUDXSVYJNIKH-QUCCMNQESA-N 2 0 348.450 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001015596342 1338200493 /nfs/dbraw/zinc/20/04/93/1338200493.db2.gz AZJWIZLSUXDVFZ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001015791873 1338312187 /nfs/dbraw/zinc/31/21/87/1338312187.db2.gz OJFVABVSEQFXTA-ZWKOTPCHSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001015930489 1338363630 /nfs/dbraw/zinc/36/36/30/1338363630.db2.gz PFCDBOYNDGPZEN-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001015930769 1338363725 /nfs/dbraw/zinc/36/37/25/1338363725.db2.gz VFJROQTUDJUPMO-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001015976391 1338388785 /nfs/dbraw/zinc/38/87/85/1338388785.db2.gz MLTATMCHKIHIGJ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001016339376 1338555456 /nfs/dbraw/zinc/55/54/56/1338555456.db2.gz PTIBSEOHJJPXAL-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001016338995 1338556200 /nfs/dbraw/zinc/55/62/00/1338556200.db2.gz MTPDIJYGDTXQCZ-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016543060 1338640107 /nfs/dbraw/zinc/64/01/07/1338640107.db2.gz LVMMGGQUXWLLGO-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016622455 1338667745 /nfs/dbraw/zinc/66/77/45/1338667745.db2.gz WTBYOPIMJNOIHW-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016661206 1338682405 /nfs/dbraw/zinc/68/24/05/1338682405.db2.gz DHHFQWZTMRSAAA-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662720 1338682897 /nfs/dbraw/zinc/68/28/97/1338682897.db2.gz MXFOFKBWMJDCBS-OALUTQOASA-N 2 0 347.547 3.186 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016689247 1338691622 /nfs/dbraw/zinc/69/16/22/1338691622.db2.gz XKPOYLVAEIWSDK-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016787484 1338727476 /nfs/dbraw/zinc/72/74/76/1338727476.db2.gz NKEHVOMRFJXWGK-OALUTQOASA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2)[NH+]1CCCCCC1 ZINC001016859391 1338749609 /nfs/dbraw/zinc/74/96/09/1338749609.db2.gz ALTZQCRAPMCSRB-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017142645 1338894829 /nfs/dbraw/zinc/89/48/29/1338894829.db2.gz QDVFWEORRJRUGH-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017142643 1338895332 /nfs/dbraw/zinc/89/53/32/1338895332.db2.gz QDVFWEORRJRUGH-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017611784 1339377309 /nfs/dbraw/zinc/37/73/09/1339377309.db2.gz YWEAHYBKGLKNED-SLFFLAALSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017616457 1339377472 /nfs/dbraw/zinc/37/74/72/1339377472.db2.gz BGNRFEVZWFAGFI-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC1CCC(C)CC1)C2)[NH+](C)C ZINC001017640495 1339380703 /nfs/dbraw/zinc/38/07/03/1339380703.db2.gz VPBTWCJOTYYKSG-VWAQSERHSA-N 2 0 349.563 3.074 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051901 1339491008 /nfs/dbraw/zinc/49/10/08/1339491008.db2.gz LLFPYTQCOOYFMT-HAGHYFMRSA-N 2 0 347.547 3.115 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203410 1340482234 /nfs/dbraw/zinc/48/22/34/1340482234.db2.gz UKJLUMBEDPQBRA-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001028335226 1340572648 /nfs/dbraw/zinc/57/26/48/1340572648.db2.gz QGHVFISZSFKTGF-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028537960 1340693780 /nfs/dbraw/zinc/69/37/80/1340693780.db2.gz WKAKSIGQCQDAJR-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001028844737 1340856424 /nfs/dbraw/zinc/85/64/24/1340856424.db2.gz BGIQOUFRURHMDJ-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845919 1340856944 /nfs/dbraw/zinc/85/69/44/1340856944.db2.gz TXMQKIRCVGLNKA-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001029003253 1340905329 /nfs/dbraw/zinc/90/53/29/1340905329.db2.gz JRSLDZOMJJUCCM-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001029134319 1340939404 /nfs/dbraw/zinc/93/94/04/1340939404.db2.gz SCZDRMPSMOGIRT-YLJYHZDGSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001029145026 1340942393 /nfs/dbraw/zinc/94/23/93/1340942393.db2.gz ZRVAWMXIKUYSSZ-KRWDZBQOSA-N 2 0 345.531 3.029 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001029550189 1341010804 /nfs/dbraw/zinc/01/08/04/1341010804.db2.gz DDALTRVTIBASAZ-YSTOQKLRSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001029742084 1341059846 /nfs/dbraw/zinc/05/98/46/1341059846.db2.gz KVUGGHPWRGRPAD-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029771186 1341068944 /nfs/dbraw/zinc/06/89/44/1341068944.db2.gz BOJZHUPNWQCEFS-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001029843975 1341092953 /nfs/dbraw/zinc/09/29/53/1341092953.db2.gz UBWGUTKYOURJRL-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)CC1CCCCCC1 ZINC001029947829 1341130984 /nfs/dbraw/zinc/13/09/84/1341130984.db2.gz YAGUOEBQUNUEMG-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042760 1341444073 /nfs/dbraw/zinc/44/40/73/1341444073.db2.gz JPTXYNVVZSKQLK-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032804030 1341619432 /nfs/dbraw/zinc/61/94/32/1341619432.db2.gz ULANPTJRVWOWSV-UFYCRDLUSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033072989 1341716062 /nfs/dbraw/zinc/71/60/62/1341716062.db2.gz OJXDKOOEASFFEM-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001033091548 1341720256 /nfs/dbraw/zinc/72/02/56/1341720256.db2.gz KUYGFLGSPKCSPM-BHIYHBOVSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001033466002 1341836817 /nfs/dbraw/zinc/83/68/17/1341836817.db2.gz BLLWDTXKHBDKKN-IEBWSBKVSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033472048 1341840203 /nfs/dbraw/zinc/84/02/03/1341840203.db2.gz RCSKUJGMGKHCHY-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001033530660 1341860319 /nfs/dbraw/zinc/86/03/19/1341860319.db2.gz FJANPYISWJVCOZ-UUKMXZOPSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033829283 1342030128 /nfs/dbraw/zinc/03/01/28/1342030128.db2.gz VYFGNJKLXICJCG-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034205394 1342316626 /nfs/dbraw/zinc/31/66/26/1342316626.db2.gz WJSDSCYBPMHVNM-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249964 1342347098 /nfs/dbraw/zinc/34/70/98/1342347098.db2.gz NNKCJRCMRFSLDN-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285979 1342372879 /nfs/dbraw/zinc/37/28/79/1342372879.db2.gz VMVFYHOLLIKONT-MRXNPFEDSA-N 2 0 328.460 3.027 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001034286239 1342373984 /nfs/dbraw/zinc/37/39/84/1342373984.db2.gz XCSDKCQCLDWQSP-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289486 1342376276 /nfs/dbraw/zinc/37/62/76/1342376276.db2.gz UNVJWRYZPLGUNI-RBUKOAKNSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001034379194 1342449041 /nfs/dbraw/zinc/44/90/41/1342449041.db2.gz BYKPWVZREBVQBL-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034395173 1342464167 /nfs/dbraw/zinc/46/41/67/1342464167.db2.gz VEWNGPRUTWFWSX-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034400205 1342465879 /nfs/dbraw/zinc/46/58/79/1342465879.db2.gz WYAQEXRYCGVTET-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cs1 ZINC001034400907 1342466236 /nfs/dbraw/zinc/46/62/36/1342466236.db2.gz YOTULWQPJQMZHZ-MAUKXSAKSA-N 2 0 349.544 3.012 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430257 1342492395 /nfs/dbraw/zinc/49/23/95/1342492395.db2.gz CJQXWORLFHJRHE-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538048 1342594461 /nfs/dbraw/zinc/59/44/61/1342594461.db2.gz PYSCOFKHPDOAQJ-RTBURBONSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034538045 1342594830 /nfs/dbraw/zinc/59/48/30/1342594830.db2.gz HMCSFKKKGPYOQW-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001034672395 1342683243 /nfs/dbraw/zinc/68/32/43/1342683243.db2.gz MHMJAERAYHWZNP-FHWLQOOXSA-N 2 0 347.547 3.068 20 0 EGADRP CC1(C)CC(C[NH2+][C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001034681685 1342689945 /nfs/dbraw/zinc/68/99/45/1342689945.db2.gz BBPHBLNRECIHNJ-IYARVYRRSA-N 2 0 347.547 3.068 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)C1 ZINC001034734775 1342728793 /nfs/dbraw/zinc/72/87/93/1342728793.db2.gz YGVREBHISSQJBY-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034748657 1342736529 /nfs/dbraw/zinc/73/65/29/1342736529.db2.gz ACVCAPRFIPLBAG-PWKSQPCKSA-N 2 0 349.563 3.312 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001034750044 1342737508 /nfs/dbraw/zinc/73/75/08/1342737508.db2.gz SNTRKNVVHBJJKX-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)cs1 ZINC001034962441 1342854997 /nfs/dbraw/zinc/85/49/97/1342854997.db2.gz RBBRQRWKPLXOHM-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001034983012 1342863919 /nfs/dbraw/zinc/86/39/19/1342863919.db2.gz UQJXJYDEDLDKSA-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001035013303 1342875594 /nfs/dbraw/zinc/87/55/94/1342875594.db2.gz GAPAFDFTGJAFQQ-NLWGTHIKSA-N 2 0 343.515 3.039 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001035102159 1342927606 /nfs/dbraw/zinc/92/76/06/1342927606.db2.gz KLMPGHXIIZICBX-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001035126616 1342944980 /nfs/dbraw/zinc/94/49/80/1342944980.db2.gz GIJSNEKBNVYMIZ-MAUKXSAKSA-N 2 0 349.906 3.077 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215982 1343035066 /nfs/dbraw/zinc/03/50/66/1343035066.db2.gz OSXXSILQOHUNCW-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035707653 1343144407 /nfs/dbraw/zinc/14/44/07/1343144407.db2.gz PQFBIFPFWDSTNI-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+](CCCC3CCCC3)C2)CC1)[NH+](C)C ZINC001035732722 1343158247 /nfs/dbraw/zinc/15/82/47/1343158247.db2.gz FYTUBKMPWWQHPG-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810513 1343210184 /nfs/dbraw/zinc/21/01/84/1343210184.db2.gz NKVZTXKMXKRPCH-IBGZPJMESA-N 2 0 347.547 3.140 20 0 EGADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036204410 1343362109 /nfs/dbraw/zinc/36/21/09/1343362109.db2.gz SACPKEDFPZBAAA-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036409224 1343470089 /nfs/dbraw/zinc/47/00/89/1343470089.db2.gz HBRHCGJCSXOVHZ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001036438532 1343487763 /nfs/dbraw/zinc/48/77/63/1343487763.db2.gz HUFZXTJZLKEQLW-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CC1CCCCCC1 ZINC001036597329 1343569636 /nfs/dbraw/zinc/56/96/36/1343569636.db2.gz DWJGZOSJQCQBJF-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731722 1343661332 /nfs/dbraw/zinc/66/13/32/1343661332.db2.gz YGHHSEUIHKKLED-WBVHZDCISA-N 2 0 349.544 3.002 20 0 EGADRP O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001037038235 1343942072 /nfs/dbraw/zinc/94/20/72/1343942072.db2.gz JXFKPNVAXXPTCE-AZUAARDMSA-N 2 0 348.450 3.023 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CC2)o1 ZINC001037135780 1343985442 /nfs/dbraw/zinc/98/54/42/1343985442.db2.gz SEZFZTDTBNXPOJ-SJLPKXTDSA-N 2 0 347.503 3.020 20 0 EGADRP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001037196451 1344033893 /nfs/dbraw/zinc/03/38/93/1344033893.db2.gz CKOLQYPLPLXTPE-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]C(C)C)o1 ZINC001037280969 1344071869 /nfs/dbraw/zinc/07/18/69/1344071869.db2.gz YXYGKSBEAUMLIN-WMZOPIPTSA-N 2 0 349.519 3.408 20 0 EGADRP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037847696 1344135432 /nfs/dbraw/zinc/13/54/32/1344135432.db2.gz AYGSCLNDXZTHCL-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1CC ZINC001037871529 1344153257 /nfs/dbraw/zinc/15/32/57/1344153257.db2.gz CDZULGIDBNUDAF-SJLPKXTDSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037883573 1344158978 /nfs/dbraw/zinc/15/89/78/1344158978.db2.gz IAUYXIRQXFABRA-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1CC ZINC001037922919 1344183204 /nfs/dbraw/zinc/18/32/04/1344183204.db2.gz CQOYHFMNLHKCEW-UYAOXDASSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037975792 1344215376 /nfs/dbraw/zinc/21/53/76/1344215376.db2.gz IYBBFKQGLSSQOP-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038240998 1344339787 /nfs/dbraw/zinc/33/97/87/1344339787.db2.gz RWSDWVBYLRUFDW-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038329258 1344382308 /nfs/dbraw/zinc/38/23/08/1344382308.db2.gz PASZNLIEXPJQCX-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038329597 1344383661 /nfs/dbraw/zinc/38/36/61/1344383661.db2.gz PVILKIMKHZECJH-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001038431661 1344425329 /nfs/dbraw/zinc/42/53/29/1344425329.db2.gz KCTYXLNSNXDLSM-KXBFYZLASA-N 2 0 348.450 3.208 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039133900 1344812911 /nfs/dbraw/zinc/81/29/11/1344812911.db2.gz LXOFIJVBIXKRTI-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137319 1344816611 /nfs/dbraw/zinc/81/66/11/1344816611.db2.gz GIKSRQICSFOKAJ-WOJBJXKFSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139477 1344818875 /nfs/dbraw/zinc/81/88/75/1344818875.db2.gz HDOQMEAPYZVEMT-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139480 1344820693 /nfs/dbraw/zinc/82/06/93/1344820693.db2.gz HDOQMEAPYZVEMT-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140522 1344821874 /nfs/dbraw/zinc/82/18/74/1344821874.db2.gz GPJQCACLWQJMCM-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001039249492 1344979777 /nfs/dbraw/zinc/97/97/77/1344979777.db2.gz AZOVWMVPZFTIEC-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388138 1345040423 /nfs/dbraw/zinc/04/04/23/1345040423.db2.gz BUQBGSXSROHZCX-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473384 1345088596 /nfs/dbraw/zinc/08/85/96/1345088596.db2.gz JZROMTQJQUZWIW-UXHICEINSA-N 2 0 343.515 3.083 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001039491969 1345111714 /nfs/dbraw/zinc/11/17/14/1345111714.db2.gz ANEIKBSMJVCARQ-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001039939542 1345253117 /nfs/dbraw/zinc/25/31/17/1345253117.db2.gz KLXNAASXROWMQZ-YSIASYRMSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)[NH+](C)C ZINC001040261337 1345400875 /nfs/dbraw/zinc/40/08/75/1345400875.db2.gz MRKNLXXSDFIVDX-XLIONFOSSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040346331 1345444821 /nfs/dbraw/zinc/44/48/21/1345444821.db2.gz BQSOHOOMWVIWDA-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001040349725 1345447961 /nfs/dbraw/zinc/44/79/61/1345447961.db2.gz IXNULSIGODTCLL-CTNGQTDRSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCCCC3)C2)C1)[NH+](C)C ZINC001041403267 1345718820 /nfs/dbraw/zinc/71/88/20/1345718820.db2.gz OFADFPMZSSJNNY-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCCC3)C2)C1)[NH+](C)C ZINC001041404890 1345719292 /nfs/dbraw/zinc/71/92/92/1345719292.db2.gz XGTDEHRLASEWPW-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041781981 1345848039 /nfs/dbraw/zinc/84/80/39/1345848039.db2.gz NRFNLIYARMSYHK-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041845950 1345871588 /nfs/dbraw/zinc/87/15/88/1345871588.db2.gz STQAROPCYQQKEF-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@H+](CCC(C)(C)C)[C@H]3C2)CC1 ZINC001042257011 1346007698 /nfs/dbraw/zinc/00/76/98/1346007698.db2.gz CKKPCOYTKSBLTN-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630356 1346388018 /nfs/dbraw/zinc/38/80/18/1346388018.db2.gz VWXZFTYSQJJBCP-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630358 1346388125 /nfs/dbraw/zinc/38/81/25/1346388125.db2.gz VWXZFTYSQJJBCP-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044743014 1346418495 /nfs/dbraw/zinc/41/84/95/1346418495.db2.gz JTGRWQFHOCTFDE-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857658 1346446970 /nfs/dbraw/zinc/44/69/70/1346446970.db2.gz MJLUTXIKTZCPLQ-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044879270 1346452960 /nfs/dbraw/zinc/45/29/60/1346452960.db2.gz OPXOFPXCKKAWBU-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045068792 1346489480 /nfs/dbraw/zinc/48/94/80/1346489480.db2.gz RAUYDWWDQAQPKZ-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045076306 1346490495 /nfs/dbraw/zinc/49/04/95/1346490495.db2.gz RRAIJWQEMDMOQG-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccsc2)CC1 ZINC001045438930 1346593924 /nfs/dbraw/zinc/59/39/24/1346593924.db2.gz XISJTCPUAAABOO-KRWDZBQOSA-N 2 0 349.544 3.092 20 0 EGADRP CC1(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC[NH+](CC2CCCC2)CC1 ZINC001045438941 1346594119 /nfs/dbraw/zinc/59/41/19/1346594119.db2.gz XSBGCNACZWPVJK-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CC2CC2)CC1 ZINC001045442242 1346594567 /nfs/dbraw/zinc/59/45/67/1346594567.db2.gz PXRHAVZDJKMNQV-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001045802724 1346702520 /nfs/dbraw/zinc/70/25/20/1346702520.db2.gz OHESOEFGRPJTMM-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942696 1346778445 /nfs/dbraw/zinc/77/84/45/1346778445.db2.gz XJNCSFHJKQRWNS-OAQYLSRUSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943733 1346779370 /nfs/dbraw/zinc/77/93/70/1346779370.db2.gz NKMCVCPUZMXINT-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)[NH+](C)C ZINC001045965798 1346801404 /nfs/dbraw/zinc/80/14/04/1346801404.db2.gz WFFPAYUPQOPHTK-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC)C2)C1 ZINC001045978719 1346815073 /nfs/dbraw/zinc/81/50/73/1346815073.db2.gz GNUTVBYASRZZCA-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001045986069 1346826704 /nfs/dbraw/zinc/82/67/04/1346826704.db2.gz GNVCUFWLHUYNIL-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001045986070 1346827169 /nfs/dbraw/zinc/82/71/69/1346827169.db2.gz GNVCUFWLHUYNIL-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001046316059 1346932083 /nfs/dbraw/zinc/93/20/83/1346932083.db2.gz NDOAECRLWMJSJK-ICSRJNTNSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001046316269 1346932187 /nfs/dbraw/zinc/93/21/87/1346932187.db2.gz NKGLKXIXTOZRKV-HKUYNNGSSA-N 2 0 349.544 3.010 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001046330754 1346935963 /nfs/dbraw/zinc/93/59/63/1346935963.db2.gz RUUHNTAFKVUAFA-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046562843 1347018777 /nfs/dbraw/zinc/01/87/77/1347018777.db2.gz SKZNKYWUGRKJMW-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(C)(C)C)C3)CC1 ZINC001047165329 1347226801 /nfs/dbraw/zinc/22/68/01/1347226801.db2.gz OOTKOROZQWMYJS-OTWHNJEPSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047926384 1347412097 /nfs/dbraw/zinc/41/20/97/1347412097.db2.gz ZWYBZBLARICHRB-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047975903 1347431361 /nfs/dbraw/zinc/43/13/61/1347431361.db2.gz PATBVHWENKYMNY-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001048539484 1347584229 /nfs/dbraw/zinc/58/42/29/1347584229.db2.gz PBGCGEIMWGWDHM-BJWYYQGGSA-N 2 0 340.471 3.026 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589965 1347609116 /nfs/dbraw/zinc/60/91/16/1347609116.db2.gz DZOLKQCNEXGPCR-RDGPPVDQSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001048610155 1347617388 /nfs/dbraw/zinc/61/73/88/1347617388.db2.gz WUDLEUQVQNTIJI-FHWLQOOXSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001048622617 1347622478 /nfs/dbraw/zinc/62/24/78/1347622478.db2.gz HPSRTVXDQWEEDF-VJANTYMQSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001049508581 1347884241 /nfs/dbraw/zinc/88/42/41/1347884241.db2.gz QIGFAAHFBLCRER-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535844 1347896689 /nfs/dbraw/zinc/89/66/89/1347896689.db2.gz KJXUILOATCFFEZ-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049535670 1347896920 /nfs/dbraw/zinc/89/69/20/1347896920.db2.gz IHCZXQXHBRHZOU-QYZOEREBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049638888 1347948227 /nfs/dbraw/zinc/94/82/27/1347948227.db2.gz NCBQRPOHSWOLLZ-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049713327 1347987780 /nfs/dbraw/zinc/98/77/80/1347987780.db2.gz XURMQOPRIRGFCA-IPMKNSEASA-N 2 0 349.563 3.074 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764440 1348008940 /nfs/dbraw/zinc/00/89/40/1348008940.db2.gz CZWVOTFPIIJJEJ-HSALFYBXSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001049768162 1348011166 /nfs/dbraw/zinc/01/11/66/1348011166.db2.gz UFGYOPRBBNHAFG-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914010 1348108888 /nfs/dbraw/zinc/10/88/88/1348108888.db2.gz LHGNLCCGWVEYHW-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049922135 1348113893 /nfs/dbraw/zinc/11/38/93/1348113893.db2.gz YEIICCXGGUOYJS-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926668 1348117386 /nfs/dbraw/zinc/11/73/86/1348117386.db2.gz QKXSCIBMEZLZCE-ZWKOTPCHSA-N 2 0 347.503 3.210 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001050046437 1348164556 /nfs/dbraw/zinc/16/45/56/1348164556.db2.gz DNVJKHPEYQDLAP-GBESFXJTSA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@H+](C)Cc1ccccc1CNC(=O)c1sccc1C[NH+](C)C ZINC001050247553 1348217880 /nfs/dbraw/zinc/21/78/80/1348217880.db2.gz GBNZASMELMRYPF-UHFFFAOYSA-N 2 0 345.512 3.191 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001050252429 1348218732 /nfs/dbraw/zinc/21/87/32/1348218732.db2.gz KDBXNGCEOZTNSX-UXHICEINSA-N 2 0 343.515 3.160 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001050367672 1348240572 /nfs/dbraw/zinc/24/05/72/1348240572.db2.gz OCNRPHRBKUQKRG-IHPCNDPISA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050385968 1348246780 /nfs/dbraw/zinc/24/67/80/1348246780.db2.gz DAVPPIBBYRTTPO-LWYYNNOASA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050392826 1348249047 /nfs/dbraw/zinc/24/90/47/1348249047.db2.gz INMGHLCNMVVRBO-DRRJLQACSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)o1 ZINC001050392315 1348249086 /nfs/dbraw/zinc/24/90/86/1348249086.db2.gz YLFWSOCJFLNHQU-QAQDUYKDSA-N 2 0 349.519 3.408 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050521453 1348282965 /nfs/dbraw/zinc/28/29/65/1348282965.db2.gz YCOGAUFCSRTRAA-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(CC)CC)CC2 ZINC001050536517 1348285826 /nfs/dbraw/zinc/28/58/26/1348285826.db2.gz LZDHQIKZDDXVIZ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)C)CC3)C1 ZINC001050629862 1348308694 /nfs/dbraw/zinc/30/86/94/1348308694.db2.gz HTXYZSCQAXJUNO-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)CC2)[NH+](C)C ZINC001050668239 1348321595 /nfs/dbraw/zinc/32/15/95/1348321595.db2.gz LBKCYXUXIIKYBN-MJGOQNOKSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050691515 1348328529 /nfs/dbraw/zinc/32/85/29/1348328529.db2.gz YADINHCXDLZSIK-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050764401 1348351842 /nfs/dbraw/zinc/35/18/42/1348351842.db2.gz CGRLTQUTZZJCCB-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCC2)CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001052447536 1348543533 /nfs/dbraw/zinc/54/35/33/1348543533.db2.gz GZIRPSZXLXSBMB-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)CC2)ccc2c[nH+]cn21 ZINC001052515014 1348563853 /nfs/dbraw/zinc/56/38/53/1348563853.db2.gz XWHMVLKPEZKSOH-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001052590808 1348588918 /nfs/dbraw/zinc/58/89/18/1348588918.db2.gz HAGWFQYHIVPLLC-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001052658031 1348617100 /nfs/dbraw/zinc/61/71/00/1348617100.db2.gz DYLYYXLHHSWERL-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001052658791 1348617220 /nfs/dbraw/zinc/61/72/20/1348617220.db2.gz YPNFMZBKRSZWSW-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764386 1348669364 /nfs/dbraw/zinc/66/93/64/1348669364.db2.gz NTYLAOFRHHOANK-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)CC1 ZINC001052819017 1348688809 /nfs/dbraw/zinc/68/88/09/1348688809.db2.gz BUEXQOHRPUPUFE-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052867329 1348710382 /nfs/dbraw/zinc/71/03/82/1348710382.db2.gz LIQLWYPJXMRQLC-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934087 1348754503 /nfs/dbraw/zinc/75/45/03/1348754503.db2.gz HRGGHTBQLDPWRW-UXHICEINSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052956804 1348771325 /nfs/dbraw/zinc/77/13/25/1348771325.db2.gz ZDKOJZKWNLQDAD-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001053029102 1348828000 /nfs/dbraw/zinc/82/80/00/1348828000.db2.gz YNQGTNNCPTXINN-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001053051390 1348854708 /nfs/dbraw/zinc/85/47/08/1348854708.db2.gz OIGVVUXRYOQCOQ-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100471 1348933606 /nfs/dbraw/zinc/93/36/06/1348933606.db2.gz HIIJRZRMKHWNIH-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107357 1348946118 /nfs/dbraw/zinc/94/61/18/1348946118.db2.gz FWKLYXCQSKMHDR-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054183033 1349186121 /nfs/dbraw/zinc/18/61/21/1349186121.db2.gz WRBUVJDONCUWIC-CTNGQTDRSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[NH+](C(C)C)C3)C1 ZINC001054268556 1349266861 /nfs/dbraw/zinc/26/68/61/1349266861.db2.gz PQAXOCONAYAYCM-LJQANCHMSA-N 2 0 343.515 3.005 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001054296294 1349301369 /nfs/dbraw/zinc/30/13/69/1349301369.db2.gz OQKZEWIWIOGDHU-LZQZEXGQSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001054650890 1349429594 /nfs/dbraw/zinc/42/95/94/1349429594.db2.gz UMDWBPAJNMNQKQ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP Clc1ccc([C@@H]2CC[N@H+](CC[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC001235882998 1376908959 /nfs/dbraw/zinc/90/89/59/1376908959.db2.gz WEQIYIICHLROBI-ZIAGYGMSSA-N 2 0 329.271 3.161 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001080557368 1357678596 /nfs/dbraw/zinc/67/85/96/1357678596.db2.gz RBKAHBWLFPHBBD-MISYRCLQSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001080557316 1357678649 /nfs/dbraw/zinc/67/86/49/1357678649.db2.gz PCXWTNWYDNVZIN-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082741087 1358085947 /nfs/dbraw/zinc/08/59/47/1358085947.db2.gz PBBYZSBQDLYDJT-ZIFCJYIRSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071508242 1354733787 /nfs/dbraw/zinc/73/37/87/1354733787.db2.gz LHCLWGFEYDJHMC-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001071627387 1354811757 /nfs/dbraw/zinc/81/17/57/1354811757.db2.gz FCFWAXQFXQJCCP-PBHICJAKSA-N 2 0 340.471 3.026 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702083 1354862167 /nfs/dbraw/zinc/86/21/67/1354862167.db2.gz SYMSOWYRDJGPEF-HKUYNNGSSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1=CCCCC1 ZINC001071821287 1354960979 /nfs/dbraw/zinc/96/09/79/1354960979.db2.gz MEOLKTLSNGOGFY-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919681 1355024654 /nfs/dbraw/zinc/02/46/54/1355024654.db2.gz GFYKKYFYELVKPK-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001072288594 1355222000 /nfs/dbraw/zinc/22/20/00/1355222000.db2.gz NYLIFNOOESTKJX-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072909513 1355492239 /nfs/dbraw/zinc/49/22/39/1355492239.db2.gz DRBSJMXCCRTINV-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1)[NH+](C)C ZINC001074028715 1356042571 /nfs/dbraw/zinc/04/25/71/1356042571.db2.gz IFDIDAOOKUWSFA-WOJBJXKFSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ccccc1)[NH+](C)C ZINC001074030325 1356043374 /nfs/dbraw/zinc/04/33/74/1356043374.db2.gz OWMYZNLLGLFEHF-MISYRCLQSA-N 2 0 345.531 3.401 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC001074062992 1356061405 /nfs/dbraw/zinc/06/14/05/1356061405.db2.gz CXRVXJCUARBYLW-FUHWJXTLSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074693513 1356224404 /nfs/dbraw/zinc/22/44/04/1356224404.db2.gz DKTPSYYNPOFDSV-WDSOQIARSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074693785 1356224670 /nfs/dbraw/zinc/22/46/70/1356224670.db2.gz SIQJROQEFKDKSY-IHPCNDPISA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074826014 1356256537 /nfs/dbraw/zinc/25/65/37/1356256537.db2.gz RNFHIOLDRLJQIL-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458889 1356391671 /nfs/dbraw/zinc/39/16/71/1356391671.db2.gz SALREMZGPVYZGB-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001082522709 1358053719 /nfs/dbraw/zinc/05/37/19/1358053719.db2.gz YQAYAZLBOVCGRM-GSEOLPGOSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082559878 1358056881 /nfs/dbraw/zinc/05/68/81/1358056881.db2.gz RKPMJHDVZQHFIL-AHRSYUTCSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001082698720 1358078077 /nfs/dbraw/zinc/07/80/77/1358078077.db2.gz XMVVAHLYNBHLGH-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001084701107 1358285827 /nfs/dbraw/zinc/28/58/27/1358285827.db2.gz OKCSXTDCZGCSTG-GUDVDZBRSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958119 1358354765 /nfs/dbraw/zinc/35/47/65/1358354765.db2.gz MFAGEQIOHGRFNZ-AABGKKOBSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCCC3CCCC3)[C@H]2C1)[NH+](C)C ZINC001084970607 1358356556 /nfs/dbraw/zinc/35/65/56/1358356556.db2.gz MMKJRYGXPFBDAI-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085217939 1358436314 /nfs/dbraw/zinc/43/63/14/1358436314.db2.gz YOCRZASUVCJPQB-QRVBRYPASA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085352535 1358476474 /nfs/dbraw/zinc/47/64/74/1358476474.db2.gz LGASUUZGAPORJD-QRVBRYPASA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085687552 1358687790 /nfs/dbraw/zinc/68/77/90/1358687790.db2.gz QNLADQXKBHBVLS-UXHICEINSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085687682 1358688190 /nfs/dbraw/zinc/68/81/90/1358688190.db2.gz SUWBXQVBUBMRSI-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085778610 1358753703 /nfs/dbraw/zinc/75/37/03/1358753703.db2.gz CLYJOHZAXMDOLQ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001085901411 1358859910 /nfs/dbraw/zinc/85/99/10/1358859910.db2.gz DWSKJLSDRBKXOT-IBGZPJMESA-N 2 0 349.563 3.076 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183870040 1387363713 /nfs/dbraw/zinc/36/37/13/1387363713.db2.gz YTCJSMGHTPZDRC-LXORQPIJSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086216906 1359030863 /nfs/dbraw/zinc/03/08/63/1359030863.db2.gz FZCKMLXHYPGTCR-NZSAHSFTSA-N 2 0 349.563 3.170 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086253731 1359043189 /nfs/dbraw/zinc/04/31/89/1359043189.db2.gz SIRMINBPTABSSD-VNTMZGSJSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086278639 1359051674 /nfs/dbraw/zinc/05/16/74/1359051674.db2.gz GUSCUJYSEOQHTB-IZBJGVDFSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086364775 1359078334 /nfs/dbraw/zinc/07/83/34/1359078334.db2.gz RCIJUCAMSHNHIU-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086382804 1359083626 /nfs/dbraw/zinc/08/36/26/1359083626.db2.gz YLITVCQSWXQZQG-ZULIPRJHSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784836 1359201369 /nfs/dbraw/zinc/20/13/69/1359201369.db2.gz WGSZONARIKUFMN-SCTDSRPQSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086820211 1359208468 /nfs/dbraw/zinc/20/84/68/1359208468.db2.gz UQNFOBSFLPYHMT-ZCNNSNEGSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001086875603 1359219049 /nfs/dbraw/zinc/21/90/49/1359219049.db2.gz YLQPLVGWXSCYSG-IPMKNSEASA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001087212460 1359322710 /nfs/dbraw/zinc/32/27/10/1359322710.db2.gz CIPVSVMCQWCCIJ-HBFSDRIKSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578885 1359539166 /nfs/dbraw/zinc/53/91/66/1359539166.db2.gz VMYOBYFQPCSJPA-INDMIFKZSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578714 1359539746 /nfs/dbraw/zinc/53/97/46/1359539746.db2.gz KZIVRCRTUUPFRZ-VNTMZGSJSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC=C(C)C ZINC001087602239 1359550152 /nfs/dbraw/zinc/55/01/52/1359550152.db2.gz FZHSQJXFFKCLSS-GBESFXJTSA-N 2 0 335.536 3.185 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699427 1359598605 /nfs/dbraw/zinc/59/86/05/1359598605.db2.gz SWANJKQWIWGPOK-OTWHNJEPSA-N 2 0 335.536 3.163 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001087712221 1359604934 /nfs/dbraw/zinc/60/49/34/1359604934.db2.gz VVYQMSRVMVTQLE-ZYKFHVCXSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773748 1359637041 /nfs/dbraw/zinc/63/70/41/1359637041.db2.gz FJWKBLQLGDJKKE-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@@H+]1CCCC1CCC1 ZINC001087812375 1359659064 /nfs/dbraw/zinc/65/90/64/1359659064.db2.gz JXMTZBUYXKICOZ-ZVDOUQERSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC001087840845 1359675044 /nfs/dbraw/zinc/67/50/44/1359675044.db2.gz QFKVRPKLPJKGES-VQTJNVASSA-N 2 0 343.515 3.131 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CC[C@H](C)F ZINC001087840731 1359675233 /nfs/dbraw/zinc/67/52/33/1359675233.db2.gz LAAHOTQWVPRCLE-ZYSHUDEJSA-N 2 0 349.494 3.079 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088280297 1359825602 /nfs/dbraw/zinc/82/56/02/1359825602.db2.gz NNPDHTGYQNLETM-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088323390 1359831083 /nfs/dbraw/zinc/83/10/83/1359831083.db2.gz MYNCJDQCDLXECA-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001088327731 1359831755 /nfs/dbraw/zinc/83/17/55/1359831755.db2.gz VLTHJGBTVBZGAR-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088381490 1359865256 /nfs/dbraw/zinc/86/52/56/1359865256.db2.gz FYSJEGABSXCKBH-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088394546 1359870674 /nfs/dbraw/zinc/87/06/74/1359870674.db2.gz JBSFNWUQFKIMMC-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001088424940 1359893979 /nfs/dbraw/zinc/89/39/79/1359893979.db2.gz JPLKVKXNXURCSN-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430736 1359898486 /nfs/dbraw/zinc/89/84/86/1359898486.db2.gz XHRPZWBSXJCULK-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088693183 1360015308 /nfs/dbraw/zinc/01/53/08/1360015308.db2.gz OHZVSDKHJICUKT-FGTMMUONSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(C)(C)C3)[C@@H]2C)CC1 ZINC001088951801 1360112020 /nfs/dbraw/zinc/11/20/20/1360112020.db2.gz IDCHTSDPNPFYOA-APWZRJJASA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001323735653 1387436987 /nfs/dbraw/zinc/43/69/87/1387436987.db2.gz AVOCJQKFZZFXQK-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCC2)CC[N@@H+]1C ZINC001089218033 1360262677 /nfs/dbraw/zinc/26/26/77/1360262677.db2.gz USPVBKAWWKDRIS-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001089221047 1360264440 /nfs/dbraw/zinc/26/44/40/1360264440.db2.gz XPFFUQIJDLDEDR-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001089259391 1360288510 /nfs/dbraw/zinc/28/85/10/1360288510.db2.gz IZDUQSNSISKKMI-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089389889 1360390755 /nfs/dbraw/zinc/39/07/55/1360390755.db2.gz WNYDQIKEBKXSES-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089401811 1360401657 /nfs/dbraw/zinc/40/16/57/1360401657.db2.gz XTAZSBNFTQNBSR-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001184412610 1387453421 /nfs/dbraw/zinc/45/34/21/1387453421.db2.gz UPBNRPFBGHIXEA-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426527 1360419172 /nfs/dbraw/zinc/41/91/72/1360419172.db2.gz IYEDRIZWRCPBBJ-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662839 1360572963 /nfs/dbraw/zinc/57/29/63/1360572963.db2.gz GKEULCREWHWIBE-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001089694132 1360598771 /nfs/dbraw/zinc/59/87/71/1360598771.db2.gz SXRIWGKIWNBWJT-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC)o1 ZINC001089734812 1360639748 /nfs/dbraw/zinc/63/97/48/1360639748.db2.gz YGKVOOYOYPBCSJ-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001091039220 1360984011 /nfs/dbraw/zinc/98/40/11/1360984011.db2.gz SXNRWUHIBFXOSX-GHBBCFCZSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001091217316 1361010822 /nfs/dbraw/zinc/01/08/22/1361010822.db2.gz RYVFXSKPNUKERE-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091319031 1361042470 /nfs/dbraw/zinc/04/24/70/1361042470.db2.gz ZSSGFMLVTRQDEJ-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C[NH2+]CCC(C)(C)C ZINC001184722422 1387520765 /nfs/dbraw/zinc/52/07/65/1387520765.db2.gz BSOKHCSQCTXKJV-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001093120331 1361533279 /nfs/dbraw/zinc/53/32/79/1361533279.db2.gz GTHZVEMTPMWNGR-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H]2[N@H+](CC(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093372486 1361581951 /nfs/dbraw/zinc/58/19/51/1361581951.db2.gz DRAUWTIWKLYGKW-RTBURBONSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184734178 1387523280 /nfs/dbraw/zinc/52/32/80/1387523280.db2.gz HPYQYUWOJIDSOS-WMZOPIPTSA-N 2 0 342.487 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001094450687 1361805910 /nfs/dbraw/zinc/80/59/10/1361805910.db2.gz ZSIZXCLDQGVOGQ-WAOWUJCRSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095404887 1362129934 /nfs/dbraw/zinc/12/99/34/1362129934.db2.gz DQKPLOOHFOXDIV-FUMNGEBKSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606213 1362183352 /nfs/dbraw/zinc/18/33/52/1362183352.db2.gz WYWSYLPHSUQSJW-SQNIBIBYSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C[NH2+]CC1CC1 ZINC001184891254 1387556062 /nfs/dbraw/zinc/55/60/62/1387556062.db2.gz CRBLDCKDTUFWSH-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812000 1362241603 /nfs/dbraw/zinc/24/16/03/1362241603.db2.gz AWPJAPORVGOLJX-FYQPLNBISA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097064133 1362829937 /nfs/dbraw/zinc/82/99/37/1362829937.db2.gz ZTFQAQLWDJRGJY-BDXSIMOUSA-N 2 0 335.536 3.017 20 0 EGADRP CC(C)[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098827554 1363485029 /nfs/dbraw/zinc/48/50/29/1363485029.db2.gz XFIINZOXADFKQU-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185169490 1387631836 /nfs/dbraw/zinc/63/18/36/1387631836.db2.gz MEOVKMDYNAQFDY-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098975364 1363550164 /nfs/dbraw/zinc/55/01/64/1363550164.db2.gz HBZHYGQLOHBKEH-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001099069609 1363605795 /nfs/dbraw/zinc/60/57/95/1363605795.db2.gz JOZJEPMDUUPXIE-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110983 1363628418 /nfs/dbraw/zinc/62/84/18/1363628418.db2.gz NHZFLSUUKRSIOK-LKGOPFMKSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225275 1363700981 /nfs/dbraw/zinc/70/09/81/1363700981.db2.gz QYDBWTDQHYYARH-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099276986 1363728567 /nfs/dbraw/zinc/72/85/67/1363728567.db2.gz ZLFPRDMVSFCSCZ-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310643 1363743870 /nfs/dbraw/zinc/74/38/70/1363743870.db2.gz RTYMUMFMDMFGFL-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310908 1363744223 /nfs/dbraw/zinc/74/42/23/1363744223.db2.gz VTWKPJPEPLGDDW-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cncn1C ZINC001099324347 1363750678 /nfs/dbraw/zinc/75/06/78/1363750678.db2.gz KMWRNWQWMJOOBU-GOSISDBHSA-N 2 0 348.535 3.006 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)[N@H+](CCC2CC2)C1 ZINC001099354543 1363769394 /nfs/dbraw/zinc/76/93/94/1363769394.db2.gz UPIYDWWATGQFAD-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001099484397 1363815015 /nfs/dbraw/zinc/81/50/15/1363815015.db2.gz PKBGWARRESWPKQ-DSKINZAPSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100406010 1364104247 /nfs/dbraw/zinc/10/42/47/1364104247.db2.gz XKLZVIZLKVTWGF-FAFZWHIHSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001100460264 1364122177 /nfs/dbraw/zinc/12/21/77/1364122177.db2.gz XGRPPQIEELCKRK-UHFFFAOYSA-N 2 0 345.531 3.018 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535045 1364150422 /nfs/dbraw/zinc/15/04/22/1364150422.db2.gz KJXOLKOVTIUEIL-LYOUPHKSSA-N 2 0 347.547 3.092 20 0 EGADRP C[N@H+](CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1)CC(C)(C)C ZINC001100681189 1364215804 /nfs/dbraw/zinc/21/58/04/1364215804.db2.gz AHNMHRVNVJXROF-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729330 1364238511 /nfs/dbraw/zinc/23/85/11/1364238511.db2.gz AWLOVXGLCVDMMP-JSEXARSYSA-N 2 0 349.563 3.480 20 0 EGADRP C[C@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001100731658 1364239309 /nfs/dbraw/zinc/23/93/09/1364239309.db2.gz DSSQGBXBWAJGPR-WWDZGPRUSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001100770694 1364253706 /nfs/dbraw/zinc/25/37/06/1364253706.db2.gz KBLDQSLLTKCLLA-LMDPOFIKSA-N 2 0 345.531 3.191 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001100815183 1364275891 /nfs/dbraw/zinc/27/58/91/1364275891.db2.gz LRLOERWPSOCWOB-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100830039 1364282211 /nfs/dbraw/zinc/28/22/11/1364282211.db2.gz YTGRKVHHEVRERK-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101024949 1364380026 /nfs/dbraw/zinc/38/00/26/1364380026.db2.gz NTSDAIAQQUZYGW-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036004 1364383192 /nfs/dbraw/zinc/38/31/92/1364383192.db2.gz GQPNDOIFVGBLEX-RPAKOWINSA-N 2 0 349.563 3.338 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001101037941 1364384468 /nfs/dbraw/zinc/38/44/68/1364384468.db2.gz YKCGBHARDQJZFW-KVZIAJEVSA-N 2 0 349.563 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101546651 1364610753 /nfs/dbraw/zinc/61/07/53/1364610753.db2.gz KHUHYKWDEQTUJV-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001101550571 1364613323 /nfs/dbraw/zinc/61/33/23/1364613323.db2.gz OTSLEDDQMSVHGM-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001101574990 1364629316 /nfs/dbraw/zinc/62/93/16/1364629316.db2.gz OPDYFFVLYSMRJL-UHFFFAOYSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185361127 1387691655 /nfs/dbraw/zinc/69/16/55/1387691655.db2.gz UXAZSGDJTVSDSK-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114855 1364866331 /nfs/dbraw/zinc/86/63/31/1364866331.db2.gz HATZVBHWNQPGAJ-AHSYYPKJSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601854 1365131433 /nfs/dbraw/zinc/13/14/33/1365131433.db2.gz SOGAKYCGOHNZAL-VJQBDMSCSA-N 2 0 349.563 3.147 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087784 1365374443 /nfs/dbraw/zinc/37/44/43/1365374443.db2.gz NPZITLHIBTYWRG-SQVVFSSVSA-N 2 0 349.563 3.147 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090390 1365376161 /nfs/dbraw/zinc/37/61/61/1365376161.db2.gz UAUKAAAUSAIBHX-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001185525965 1387739256 /nfs/dbraw/zinc/73/92/56/1387739256.db2.gz IHNLRYYYPKUXCZ-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156467 1365413592 /nfs/dbraw/zinc/41/35/92/1365413592.db2.gz FMPWZXVVDOKJSK-AQRBRUGDSA-N 2 0 337.552 3.147 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192525 1365429037 /nfs/dbraw/zinc/42/90/37/1365429037.db2.gz XLEUCWPQKBXKKS-SJLPKXTDSA-N 2 0 342.487 3.212 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379025 1365525679 /nfs/dbraw/zinc/52/56/79/1365525679.db2.gz WMOJUUGABUCHDB-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP C[C@]1(C[NH2+]CC2CCCCC2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001324753434 1387760668 /nfs/dbraw/zinc/76/06/68/1387760668.db2.gz WHELQJPWKNSSDK-HXUWFJFHSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001104000179 1365867590 /nfs/dbraw/zinc/86/75/90/1365867590.db2.gz YBVTYZNUBBAVJI-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001185679239 1387775480 /nfs/dbraw/zinc/77/54/80/1387775480.db2.gz AXMYQRIPHVOKRU-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104354938 1365983930 /nfs/dbraw/zinc/98/39/30/1365983930.db2.gz HBRKIOASVRWSAM-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001185729784 1387785453 /nfs/dbraw/zinc/78/54/53/1387785453.db2.gz JFKWHUOQJRNSQN-UHDDOPSISA-N 2 0 349.563 3.293 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676740 1366127383 /nfs/dbraw/zinc/12/73/83/1366127383.db2.gz WAEFJCFVYCZOFA-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185751347 1387790228 /nfs/dbraw/zinc/79/02/28/1387790228.db2.gz PFPCKHCTQUWBKX-QZTJIDSGSA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001105067388 1366304371 /nfs/dbraw/zinc/30/43/71/1366304371.db2.gz YOPWXIYMQZVQJR-WSTZPKSXSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105517929 1366505126 /nfs/dbraw/zinc/50/51/26/1366505126.db2.gz NATVPONFZWIPKU-OALUTQOASA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556480 1366529245 /nfs/dbraw/zinc/52/92/45/1366529245.db2.gz HUUTVHVDVKCALZ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105558900 1366530141 /nfs/dbraw/zinc/53/01/41/1366530141.db2.gz HIYKMYVIXLEUQY-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001105571979 1366538730 /nfs/dbraw/zinc/53/87/30/1366538730.db2.gz DJNWHEOEGBDCCQ-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)CCC1 ZINC001105579215 1366542630 /nfs/dbraw/zinc/54/26/30/1366542630.db2.gz MGWXEJHMPOCGJJ-LJQANCHMSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106322141 1366653567 /nfs/dbraw/zinc/65/35/67/1366653567.db2.gz LEMAXRDZQMGOCG-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106322142 1366653720 /nfs/dbraw/zinc/65/37/20/1366653720.db2.gz LEMAXRDZQMGOCG-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC(C)C)[C@H](C)C1 ZINC001106339870 1366660753 /nfs/dbraw/zinc/66/07/53/1366660753.db2.gz CUEAMLMEQKHRMB-KZNAEPCWSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106515787 1366719255 /nfs/dbraw/zinc/71/92/55/1366719255.db2.gz CXKFGJWHZRGTHO-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660433 1366768010 /nfs/dbraw/zinc/76/80/10/1366768010.db2.gz MWTHFTRYTZTEEI-QFOGUGEJSA-N 2 0 337.552 3.147 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106905175 1366829197 /nfs/dbraw/zinc/82/91/97/1366829197.db2.gz DJLZWTJSBOQCIS-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107408601 1366955247 /nfs/dbraw/zinc/95/52/47/1366955247.db2.gz ZZIOBCKIDNYLQB-YLJYHZDGSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)C3CCCC3)CCC[C@@H]12 ZINC001107458445 1366971159 /nfs/dbraw/zinc/97/11/59/1366971159.db2.gz CAHVSXRGBKTRGH-YLJYHZDGSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289964 1367040400 /nfs/dbraw/zinc/04/04/00/1367040400.db2.gz SNLSKOREEWAAFI-SQNIBIBYSA-N 2 0 335.536 3.163 20 0 EGADRP C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)[NH+]1CCCCCC1 ZINC001107567384 1367048549 /nfs/dbraw/zinc/04/85/49/1367048549.db2.gz UDWXEZWNJZXECR-FBBABVLZSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567725 1367049091 /nfs/dbraw/zinc/04/90/91/1367049091.db2.gz HKCYVNYPEQGHTA-TZIWHRDSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001107582624 1367056974 /nfs/dbraw/zinc/05/69/74/1367056974.db2.gz MPRPGBQCBLAGJG-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643279 1367089611 /nfs/dbraw/zinc/08/96/11/1367089611.db2.gz FLCMZQAKXUTLHB-QKNQBKEWSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872235 1367121546 /nfs/dbraw/zinc/12/15/46/1367121546.db2.gz WDZRLALXJBXWLA-YSIASYRMSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213051 1367201101 /nfs/dbraw/zinc/20/11/01/1367201101.db2.gz UHTSCQZTLCSMDF-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186081834 1387862248 /nfs/dbraw/zinc/86/22/48/1387862248.db2.gz BHDUVIILAAMHTI-MGBKSAOESA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)C)C1 ZINC001109635595 1367254814 /nfs/dbraw/zinc/25/48/14/1367254814.db2.gz JQJYDZIWUKOLDE-ZRNYENFQSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655188 1367265630 /nfs/dbraw/zinc/26/56/30/1367265630.db2.gz KBBCCURYQJTDOF-FYQPLNBISA-N 2 0 343.515 3.201 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001109655274 1367266216 /nfs/dbraw/zinc/26/62/16/1367266216.db2.gz NMRXJYKNVVCCNV-LMCOJAPRSA-N 2 0 343.515 3.119 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190483249 1367274531 /nfs/dbraw/zinc/27/45/31/1367274531.db2.gz QJLAWODXNZAGCI-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190656383 1367320032 /nfs/dbraw/zinc/32/00/32/1367320032.db2.gz STOQJVVLBVPUCF-QZTJIDSGSA-N 2 0 337.552 3.218 20 0 EGADRP COc1cc(C)nc(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001190884510 1367374632 /nfs/dbraw/zinc/37/46/32/1367374632.db2.gz WRSQOKGXTDSHPJ-UHFFFAOYSA-N 2 0 339.483 3.495 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001109932553 1367410840 /nfs/dbraw/zinc/41/08/40/1367410840.db2.gz MFWYIMYEIIYUKM-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001110040229 1367478669 /nfs/dbraw/zinc/47/86/69/1367478669.db2.gz CXEZRNOFDFVQTD-WKRCXCSHSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001110158010 1367530820 /nfs/dbraw/zinc/53/08/20/1367530820.db2.gz DRUUIJZZQREUQS-XWSJACJDSA-N 2 0 335.536 3.163 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001108716330 1367553020 /nfs/dbraw/zinc/55/30/20/1367553020.db2.gz PBBPURRJCCVNEN-JZXOWHBKSA-N 2 0 340.471 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188664 1367556457 /nfs/dbraw/zinc/55/64/57/1367556457.db2.gz LKIGTPKFSBYSMR-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108751521 1367574014 /nfs/dbraw/zinc/57/40/14/1367574014.db2.gz VLLIHANIFZLVQF-NEPBSLMDSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834560 1367627122 /nfs/dbraw/zinc/62/71/22/1367627122.db2.gz TVAORJGZJJPLAL-ZCNNSNEGSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001191967460 1367651919 /nfs/dbraw/zinc/65/19/19/1367651919.db2.gz IHOSSNHTEWMHJB-OKZBNKHCSA-N 2 0 337.552 3.076 20 0 EGADRP COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001192435691 1367781914 /nfs/dbraw/zinc/78/19/14/1367781914.db2.gz UKODIHOWLFSNLK-UHFFFAOYSA-N 2 0 332.488 3.446 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192656952 1367843626 /nfs/dbraw/zinc/84/36/26/1367843626.db2.gz VYCMVUUALMZVGK-RBUKOAKNSA-N 2 0 337.552 3.364 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001192654258 1367843804 /nfs/dbraw/zinc/84/38/04/1367843804.db2.gz DYFTVUJQJFPHTC-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192654271 1367844177 /nfs/dbraw/zinc/84/41/77/1367844177.db2.gz FINFXNLJXTUDNA-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001110626449 1367874435 /nfs/dbraw/zinc/87/44/35/1367874435.db2.gz BGFZIEBSKOJVBL-PUROVWCESA-N 2 0 347.547 3.329 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684520 1367926330 /nfs/dbraw/zinc/92/63/30/1367926330.db2.gz NGAXGUWBEPPGHJ-ZFTSPJNCSA-N 2 0 347.547 3.329 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193279988 1367987511 /nfs/dbraw/zinc/98/75/11/1367987511.db2.gz SDUURUBPXONGRI-RBUKOAKNSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862327 1368041577 /nfs/dbraw/zinc/04/15/77/1368041577.db2.gz JZSBKDAUNTUFGI-KURKYZTESA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500186 1368046943 /nfs/dbraw/zinc/04/69/43/1368046943.db2.gz QUNLTPXMGJGTOM-ZPUOCTKUSA-N 2 0 344.503 3.040 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559013 1368061321 /nfs/dbraw/zinc/06/13/21/1368061321.db2.gz GOCMNQQIQYVRHS-IRXDYDNUSA-N 2 0 349.494 3.151 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193571268 1368064580 /nfs/dbraw/zinc/06/45/80/1368064580.db2.gz RDSMXIPMAAEPRH-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001193600266 1368069360 /nfs/dbraw/zinc/06/93/60/1368069360.db2.gz BIGNHNCKLDEHNC-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001193601109 1368070264 /nfs/dbraw/zinc/07/02/64/1368070264.db2.gz SFGYLQBPFTWYIR-IBGZPJMESA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193601152 1368070896 /nfs/dbraw/zinc/07/08/96/1368070896.db2.gz UHELINCXUPUGKZ-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193609780 1368073546 /nfs/dbraw/zinc/07/35/46/1368073546.db2.gz IVKFZNHWAIOYIP-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934760 1368104581 /nfs/dbraw/zinc/10/45/81/1368104581.db2.gz MOWMTTMRYRJFPV-MKXGPGLRSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111017884 1368143943 /nfs/dbraw/zinc/14/39/43/1368143943.db2.gz FPUSKJCIOCCAGH-YRXWBPOGSA-N 2 0 337.552 3.409 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080179 1368179259 /nfs/dbraw/zinc/17/92/59/1368179259.db2.gz HNHANOPHUHJISH-IBGZPJMESA-N 2 0 337.552 3.366 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001111233782 1368209995 /nfs/dbraw/zinc/20/99/95/1368209995.db2.gz WFDWGXAARKFZSA-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245444 1368216074 /nfs/dbraw/zinc/21/60/74/1368216074.db2.gz AIXWLZIWIBTZCA-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245733 1368216155 /nfs/dbraw/zinc/21/61/55/1368216155.db2.gz CYSMEJFUNNHNDQ-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274441 1368221070 /nfs/dbraw/zinc/22/10/70/1368221070.db2.gz HULUXNHTDDTRSH-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001111309160 1368262773 /nfs/dbraw/zinc/26/27/73/1368262773.db2.gz JTLVRGMNWAUPLZ-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1C ZINC001111309142 1368263363 /nfs/dbraw/zinc/26/33/63/1368263363.db2.gz JCBGDALEOFTXOZ-LFGUQSLTSA-N 2 0 343.515 3.119 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001111452880 1368309893 /nfs/dbraw/zinc/30/98/93/1368309893.db2.gz BSYQQMUUMBXMJY-AQNXPRMDSA-N 2 0 345.531 3.084 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740946 1368438241 /nfs/dbraw/zinc/43/82/41/1368438241.db2.gz VABKVHRXXHUUHI-NSHGMRRFSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2)C1CCC1 ZINC001111779116 1368458108 /nfs/dbraw/zinc/45/81/08/1368458108.db2.gz VCKZULQTRCCYFZ-RXVVDRJESA-N 2 0 347.547 3.022 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789050 1368462947 /nfs/dbraw/zinc/46/29/47/1368462947.db2.gz VHCIAQPRMJPXQZ-APGBAIEXSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821563 1368482372 /nfs/dbraw/zinc/48/23/72/1368482372.db2.gz WZAFZTOHEYALDI-RXVVDRJESA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC(C)(C)CC1)C2 ZINC001111861464 1368511402 /nfs/dbraw/zinc/51/14/02/1368511402.db2.gz OJHRBOMWKBJGKZ-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275899 1368582483 /nfs/dbraw/zinc/58/24/83/1368582483.db2.gz OSAAZSWLSKTVQI-MOPGFXCFSA-N 2 0 335.536 3.118 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196718300 1368669880 /nfs/dbraw/zinc/66/98/80/1368669880.db2.gz ZEEBRWHEUHVRCA-SREVYHEPSA-N 2 0 335.536 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197330662 1368789001 /nfs/dbraw/zinc/78/90/01/1368789001.db2.gz DVYRJUQXFMNIDY-LJQANCHMSA-N 2 0 337.552 3.364 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396832 1368806016 /nfs/dbraw/zinc/80/60/16/1368806016.db2.gz QKGVQDJGCGJJMQ-UHDDOPSISA-N 2 0 347.547 3.284 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522688 1368912877 /nfs/dbraw/zinc/91/28/77/1368912877.db2.gz KBRCWVDSBJXCRI-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112529649 1368915755 /nfs/dbraw/zinc/91/57/55/1368915755.db2.gz JCLAHJQFNMQIPM-LQWHRVPQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001197898609 1368921548 /nfs/dbraw/zinc/92/15/48/1368921548.db2.gz HAKDLPFVAYIXIQ-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001197907745 1368922604 /nfs/dbraw/zinc/92/26/04/1368922604.db2.gz LNYUZHFVKDLLRN-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001325416312 1387968531 /nfs/dbraw/zinc/96/85/31/1387968531.db2.gz LHFXNABZPLUCJW-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112579175 1368935494 /nfs/dbraw/zinc/93/54/94/1368935494.db2.gz ZRMAACAXLGEWAK-RXVVDRJESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584669 1368937492 /nfs/dbraw/zinc/93/74/92/1368937492.db2.gz CUFVOUMEGHMVJZ-FPOVZHCZSA-N 2 0 347.547 3.047 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112585796 1368938505 /nfs/dbraw/zinc/93/85/05/1368938505.db2.gz QUZMQIBMQIMBMB-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258799 1368992078 /nfs/dbraw/zinc/99/20/78/1368992078.db2.gz GGIPULSZQIGPMT-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001112855082 1369048630 /nfs/dbraw/zinc/04/86/30/1369048630.db2.gz JPBSYAJVNUTWFT-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966464 1369113668 /nfs/dbraw/zinc/11/36/68/1369113668.db2.gz ZUIFNOIKFBCLIV-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186605520 1387983501 /nfs/dbraw/zinc/98/35/01/1387983501.db2.gz OOWCIDXHCAGXGK-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577730 1369392675 /nfs/dbraw/zinc/39/26/75/1369392675.db2.gz FNCRVBPOBBHUBH-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001200578176 1369393869 /nfs/dbraw/zinc/39/38/69/1369393869.db2.gz NLKWIWCMUVXNRJ-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001200894322 1369445246 /nfs/dbraw/zinc/44/52/46/1369445246.db2.gz PHGOWSJRVJVKBP-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001201183044 1369491274 /nfs/dbraw/zinc/49/12/74/1369491274.db2.gz RXRLNFRJUQWQPU-SJLPKXTDSA-N 2 0 334.508 3.097 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001201182542 1369491665 /nfs/dbraw/zinc/49/16/65/1369491665.db2.gz IGTTWZZPOWOEPA-SFHVURJKSA-N 2 0 334.508 3.241 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113561760 1369494837 /nfs/dbraw/zinc/49/48/37/1369494837.db2.gz PRKBOOUEQZBDRI-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400107 1369537019 /nfs/dbraw/zinc/53/70/19/1369537019.db2.gz NXSZYIPMKYMKQP-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](CCc2ccccc2)CC1 ZINC001201610404 1369588857 /nfs/dbraw/zinc/58/88/57/1369588857.db2.gz UVANVVNDYARMDQ-UHFFFAOYSA-N 2 0 331.548 3.359 20 0 EGADRP Cc1cn(-c2ccc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)cc2)cn1 ZINC001201659430 1369599135 /nfs/dbraw/zinc/59/91/35/1369599135.db2.gz XOIUAEULFTWEDX-UHFFFAOYSA-N 2 0 348.454 3.071 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc4cccc(N)c43)cc[nH+]2)CC1 ZINC001201666961 1369601175 /nfs/dbraw/zinc/60/11/75/1369601175.db2.gz KCWHXJURXYBWBJ-UHFFFAOYSA-N 2 0 333.439 3.312 20 0 EGADRP CSCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001201680373 1369604446 /nfs/dbraw/zinc/60/44/46/1369604446.db2.gz GYQGHQJAELNPCS-MRXNPFEDSA-N 2 0 338.517 3.088 20 0 EGADRP CSCCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001201680689 1369604865 /nfs/dbraw/zinc/60/48/65/1369604865.db2.gz LGGDJWYMLUHHOE-UHFFFAOYSA-N 2 0 340.558 3.168 20 0 EGADRP CCCCC[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001201735881 1369614404 /nfs/dbraw/zinc/61/44/04/1369614404.db2.gz YGKUOXSHLCWPII-UHFFFAOYSA-N 2 0 331.504 3.186 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001202078083 1369682613 /nfs/dbraw/zinc/68/26/13/1369682613.db2.gz OXOAHRPFBQIAPL-UHFFFAOYSA-N 2 0 345.531 3.432 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144810 1369700539 /nfs/dbraw/zinc/70/05/39/1369700539.db2.gz KDHKYGQUPLAFIA-GHOSXJJBSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001202238328 1369720809 /nfs/dbraw/zinc/72/08/09/1369720809.db2.gz CBSXMDAKGIYABR-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP FC(F)(F)CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001202328438 1369739628 /nfs/dbraw/zinc/73/96/28/1369739628.db2.gz FDVCFIRFRYJTBK-UHFFFAOYSA-N 2 0 342.405 3.306 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]21 ZINC001202486489 1369787239 /nfs/dbraw/zinc/78/72/39/1369787239.db2.gz NSVRAEWKDWDTDP-ZAWLATJESA-N 2 0 334.529 3.317 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001186982116 1388035338 /nfs/dbraw/zinc/03/53/38/1388035338.db2.gz XSLYZUGAXHZBKT-BJAZZSIWSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH2+]CCCCCF)CC2)cc1 ZINC001202940291 1369932210 /nfs/dbraw/zinc/93/22/10/1369932210.db2.gz NMSJCHOGYDAOIM-UHFFFAOYSA-N 2 0 349.494 3.082 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001202974243 1369942894 /nfs/dbraw/zinc/94/28/94/1369942894.db2.gz SVOCSMZOUWERFC-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]CCCC(C)C)CC1)C(C)C ZINC001202990803 1369947875 /nfs/dbraw/zinc/94/78/75/1369947875.db2.gz DUPZVROHKVRVCI-IBGZPJMESA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203102242 1369983166 /nfs/dbraw/zinc/98/31/66/1369983166.db2.gz HDSVVNXOWCIJEP-JKSUJKDBSA-N 2 0 337.552 3.170 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001203193324 1370018932 /nfs/dbraw/zinc/01/89/32/1370018932.db2.gz KUEHWTKXSCYQGD-FGZHOGPDSA-N 2 0 336.479 3.133 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203251447 1370042026 /nfs/dbraw/zinc/04/20/26/1370042026.db2.gz VVYLEQLCBIAYFI-MSOLQXFVSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203283901 1370062172 /nfs/dbraw/zinc/06/21/72/1370062172.db2.gz WVSUDLMWXWOZOQ-IBGZPJMESA-N 2 0 337.552 3.412 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001203288035 1370063201 /nfs/dbraw/zinc/06/32/01/1370063201.db2.gz NIWGWZMREXCDQS-ARJAWSKDSA-N 2 0 347.547 3.045 20 0 EGADRP Fc1ccccc1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001203348238 1370093108 /nfs/dbraw/zinc/09/31/08/1370093108.db2.gz NFCGLOCUFREMTH-UHFFFAOYSA-N 2 0 344.430 3.286 20 0 EGADRP CCOc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c(C)c1 ZINC001203357485 1370096816 /nfs/dbraw/zinc/09/68/16/1370096816.db2.gz JOBXSLADBZPSHJ-UHFFFAOYSA-N 2 0 340.471 3.153 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001203442211 1370128108 /nfs/dbraw/zinc/12/81/08/1370128108.db2.gz GRLKHZDNJCTNOE-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+][C@H](CC)c2ccc(F)cc2)CC1 ZINC001203459889 1370134408 /nfs/dbraw/zinc/13/44/08/1370134408.db2.gz LBLFNUHXAJJUFT-LJQANCHMSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C23CCC3)CC1 ZINC001203462202 1370135037 /nfs/dbraw/zinc/13/50/37/1370135037.db2.gz LWNBFSGAWDTECX-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP COc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(OC)c1 ZINC001203481135 1370140969 /nfs/dbraw/zinc/14/09/69/1370140969.db2.gz UGYOSJRDEVODLY-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114921339 1370150495 /nfs/dbraw/zinc/15/04/95/1370150495.db2.gz KXQYEPGIUQQKAV-YVHSZISRSA-N 2 0 347.547 3.042 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540214 1370162048 /nfs/dbraw/zinc/16/20/48/1370162048.db2.gz UIVKDRGMWBHHTE-NYQZOWANSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203630978 1370194044 /nfs/dbraw/zinc/19/40/44/1370194044.db2.gz JMCKDZHWCQZJGA-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203632782 1370194582 /nfs/dbraw/zinc/19/45/82/1370194582.db2.gz VGUJYPFTBVQBJJ-YZBXUTEPSA-N 2 0 349.563 3.482 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(C)c1 ZINC001203731751 1370239362 /nfs/dbraw/zinc/23/93/62/1370239362.db2.gz LQAHHKJHLYOFAW-FGZHOGPDSA-N 2 0 342.527 3.484 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC001203741197 1370243513 /nfs/dbraw/zinc/24/35/13/1370243513.db2.gz XKEWODBYEHEUTE-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203769945 1370257276 /nfs/dbraw/zinc/25/72/76/1370257276.db2.gz DAGUOOWKARDKHF-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001203853738 1370290190 /nfs/dbraw/zinc/29/01/90/1370290190.db2.gz XNODKWXJYPGWER-XXCOWLKOSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]([NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC001203889090 1370299891 /nfs/dbraw/zinc/29/98/91/1370299891.db2.gz VMUOVRIKLUYRGV-SFHVURJKSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001203902691 1370307908 /nfs/dbraw/zinc/30/79/08/1370307908.db2.gz HSLRIGJSVSIIIL-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC[C@]1(C)O ZINC001204263113 1370425069 /nfs/dbraw/zinc/42/50/69/1370425069.db2.gz GRMALGYSFQYHBO-XLIONFOSSA-N 2 0 334.504 3.000 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)cc1 ZINC001204263580 1370426203 /nfs/dbraw/zinc/42/62/03/1370426203.db2.gz NKBBGSUUDOPSLV-FQEVSTJZSA-N 2 0 334.504 3.000 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+](C)CC2CC(F)(F)C2)cc1 ZINC001204270031 1370427756 /nfs/dbraw/zinc/42/77/56/1370427756.db2.gz NTOOJTWNZLATOP-UHFFFAOYSA-N 2 0 326.431 3.494 20 0 EGADRP COCCC1CC[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204269191 1370428249 /nfs/dbraw/zinc/42/82/49/1370428249.db2.gz WDECQXYEYYWAMG-UHFFFAOYSA-N 2 0 334.504 3.266 20 0 EGADRP Cc1ccc(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001204621312 1370531340 /nfs/dbraw/zinc/53/13/40/1370531340.db2.gz BTEGZUZHNDPGDS-UHFFFAOYSA-N 2 0 327.497 3.024 20 0 EGADRP Cc1ccc(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)cc1C ZINC001204621361 1370531501 /nfs/dbraw/zinc/53/15/01/1370531501.db2.gz DVBFBZBRKXKZDB-UHFFFAOYSA-N 2 0 341.524 3.333 20 0 EGADRP Cc1ccc(C)c(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)c1 ZINC001204622007 1370532012 /nfs/dbraw/zinc/53/20/12/1370532012.db2.gz WHKOKVFSCKWMPN-UHFFFAOYSA-N 2 0 341.524 3.333 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001115536701 1370533538 /nfs/dbraw/zinc/53/35/38/1370533538.db2.gz DLDQIJXGRBXMCG-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc(OCC[NH+]3CCCC3)nc2)cc1 ZINC001204642959 1370535859 /nfs/dbraw/zinc/53/58/59/1370535859.db2.gz VXHLRHCEEWBWIO-UHFFFAOYSA-N 2 0 325.456 3.285 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559570 1370559731 /nfs/dbraw/zinc/55/97/31/1370559731.db2.gz BJOAOSAZDBWREE-KRWDZBQOSA-N 2 0 343.531 3.265 20 0 EGADRP Oc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC(F)(F)F)c1 ZINC001204742155 1370561809 /nfs/dbraw/zinc/56/18/09/1370561809.db2.gz IUWOJAHRRALZJL-UHFFFAOYSA-N 2 0 344.377 3.256 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001115571721 1370573870 /nfs/dbraw/zinc/57/38/70/1370573870.db2.gz MAXJRAYSDJUMRK-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)CCC1 ZINC001115571793 1370574035 /nfs/dbraw/zinc/57/40/35/1370574035.db2.gz PCRHPWCHIDIVBV-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115571854 1370574613 /nfs/dbraw/zinc/57/46/13/1370574613.db2.gz RIORUOXXUZLQPJ-KRWDZBQOSA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CCCCCF)CCCCC1)[NH+](C)C ZINC001115582169 1370584211 /nfs/dbraw/zinc/58/42/11/1370584211.db2.gz NPHWCTOOUCEWLG-KRWDZBQOSA-N 2 0 343.531 3.121 20 0 EGADRP F[C@H]1CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCC1(F)F ZINC001204848583 1370589239 /nfs/dbraw/zinc/58/92/39/1370589239.db2.gz OBGAAXHPHGFUTK-INIZCTEOSA-N 2 0 337.389 3.314 20 0 EGADRP c1cc2c(cc1CN1CC[NH+](CC3CCCCC3)CC1)C[NH2+]CC2 ZINC001204864126 1370592599 /nfs/dbraw/zinc/59/25/99/1370592599.db2.gz TUULJLOMGPJPKB-UHFFFAOYSA-N 2 0 327.516 3.030 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591780 1370592619 /nfs/dbraw/zinc/59/26/19/1370592619.db2.gz DMQSXNBLJWPDMI-ROUUACIJSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591779 1370592708 /nfs/dbraw/zinc/59/27/08/1370592708.db2.gz DMQSXNBLJWPDMI-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCCC1)[NH+](C)C ZINC001115591839 1370593015 /nfs/dbraw/zinc/59/30/15/1370593015.db2.gz HPSKKXBRIUENGN-ZWKOTPCHSA-N 2 0 339.568 3.418 20 0 EGADRP Fc1ccc(N2CCCN(CCC[NH2+]C3CCCCC3)CC2)nc1 ZINC001204870087 1370593616 /nfs/dbraw/zinc/59/36/16/1370593616.db2.gz OJJMTZGXCXQEEJ-UHFFFAOYSA-N 2 0 334.483 3.045 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115596723 1370597627 /nfs/dbraw/zinc/59/76/27/1370597627.db2.gz SOPRFFVLQVEKTB-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001205002051 1370624834 /nfs/dbraw/zinc/62/48/34/1370624834.db2.gz YHIQUFYBGFRFND-HNNXBMFYSA-N 2 0 325.294 3.313 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661727 1370645377 /nfs/dbraw/zinc/64/53/77/1370645377.db2.gz MPGRYLLDZSFAQT-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661760 1370645388 /nfs/dbraw/zinc/64/53/88/1370645388.db2.gz OEQYPXWOHMGHFR-INIZCTEOSA-N 2 0 341.515 3.018 20 0 EGADRP COc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205141185 1370662059 /nfs/dbraw/zinc/66/20/59/1370662059.db2.gz YATFJSLORBLQCS-QFBILLFUSA-N 2 0 340.467 3.301 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715442 1370694468 /nfs/dbraw/zinc/69/44/68/1370694468.db2.gz JDBFOTSXLDPVRO-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1OC(F)(F)F ZINC001205280698 1370704998 /nfs/dbraw/zinc/70/49/98/1370704998.db2.gz GOVWXLBAWZUCKJ-OAHLLOKOSA-N 2 0 332.366 3.297 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285653 1370706530 /nfs/dbraw/zinc/70/65/30/1370706530.db2.gz ZXYHXRXZWUDUTA-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CCCc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC001205295642 1370709762 /nfs/dbraw/zinc/70/97/62/1370709762.db2.gz AXGHOHVVFHDRFS-HIFRSBDPSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)C1 ZINC001115729954 1370712196 /nfs/dbraw/zinc/71/21/96/1370712196.db2.gz ZGBOIWCCOMJRTH-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730265 1370712884 /nfs/dbraw/zinc/71/28/84/1370712884.db2.gz HFTQQEYJYYPDBW-UHFFFAOYSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115730494 1370712989 /nfs/dbraw/zinc/71/29/89/1370712989.db2.gz LFHVFMCWPLCVMH-FUHWJXTLSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730262 1370713065 /nfs/dbraw/zinc/71/30/65/1370713065.db2.gz HCRXKIAWJAPGKW-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115730946 1370713767 /nfs/dbraw/zinc/71/37/67/1370713767.db2.gz VNLNZTZKLAIMSX-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001205303840 1370714244 /nfs/dbraw/zinc/71/42/44/1370714244.db2.gz LLJMATNRGPCIDA-GDBMZVCRSA-N 2 0 328.456 3.274 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1)[NH+](C)C ZINC001115733264 1370716574 /nfs/dbraw/zinc/71/65/74/1370716574.db2.gz XBVYLHSXYRWLTA-SFHVURJKSA-N 2 0 349.494 3.075 20 0 EGADRP c1ccc(Oc2ccc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)cn2)cc1 ZINC001205356786 1370730855 /nfs/dbraw/zinc/73/08/55/1370730855.db2.gz ZVCQBQUJHOFNHY-UHFFFAOYSA-N 2 0 332.407 3.346 20 0 EGADRP [NH3+][C@@H](CCc1nc([C@H]2C[NH+]3CCC2CC3)no1)CC1CCCCC1 ZINC001325933880 1388091235 /nfs/dbraw/zinc/09/12/35/1388091235.db2.gz NXPYDGVPDRQAJF-IRXDYDNUSA-N 2 0 332.492 3.109 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760777 1370744729 /nfs/dbraw/zinc/74/47/29/1370744729.db2.gz SMYMHTLUKRVFHQ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205415859 1370748275 /nfs/dbraw/zinc/74/82/75/1370748275.db2.gz NSFBPLZWNORNFT-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205420227 1370749292 /nfs/dbraw/zinc/74/92/92/1370749292.db2.gz KNUMCULYSMFXCF-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH2+]CC(C)C)CCCCC1)C(C)C ZINC001115776358 1370759307 /nfs/dbraw/zinc/75/93/07/1370759307.db2.gz NMYAPYDXFSXIKU-SFHVURJKSA-N 2 0 339.568 3.418 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205460890 1370762218 /nfs/dbraw/zinc/76/22/18/1370762218.db2.gz ADEBYAKIWLQFAO-PRPIBZDOSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483795 1370769322 /nfs/dbraw/zinc/76/93/22/1370769322.db2.gz SCFMKQLWLYASDH-KKHYBRAUSA-N 2 0 349.563 3.435 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205483643 1370769576 /nfs/dbraw/zinc/76/95/76/1370769576.db2.gz LHKLIYHNEONWRN-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545194 1370786463 /nfs/dbraw/zinc/78/64/63/1370786463.db2.gz AHFDJDQIISUHBL-LJQANCHMSA-N 2 0 330.451 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115805935 1370788990 /nfs/dbraw/zinc/78/89/90/1370788990.db2.gz JIQYBQUHHAQOQI-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001205570237 1370795706 /nfs/dbraw/zinc/79/57/06/1370795706.db2.gz HMIYPANBDNAZHD-CYBMUJFWSA-N 2 0 339.764 3.407 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205579613 1370798904 /nfs/dbraw/zinc/79/89/04/1370798904.db2.gz OPAJJLIYOJBHRM-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)nc2)CC[C@@H]1C[NH3+] ZINC001205625945 1370816347 /nfs/dbraw/zinc/81/63/47/1370816347.db2.gz CUEQIZJFFXWTBC-GDBMZVCRSA-N 2 0 328.435 3.090 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1OC(F)(F)F ZINC001205628329 1370817435 /nfs/dbraw/zinc/81/74/35/1370817435.db2.gz VCPXXHSRDNJXPM-GXTWGEPZSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(OCc3ccccc3)no2)CC[C@@H]1C[NH3+] ZINC001205635478 1370820373 /nfs/dbraw/zinc/82/03/73/1370820373.db2.gz AZAFSQYGQXEZOG-DOTOQJQBSA-N 2 0 329.444 3.060 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001205681442 1370841864 /nfs/dbraw/zinc/84/18/64/1370841864.db2.gz JHKDTFTXLONMSL-SFHVURJKSA-N 2 0 334.847 3.276 20 0 EGADRP c1cc2c(c(-c3cccc(N4CC[NH2+]CC4)c3)c1)C1(CC2)CC[NH2+]CC1 ZINC001205907951 1370906883 /nfs/dbraw/zinc/90/68/83/1370906883.db2.gz HXICZBFNLHEOAV-UHFFFAOYSA-N 2 0 347.506 3.331 20 0 EGADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001205923290 1370912281 /nfs/dbraw/zinc/91/22/81/1370912281.db2.gz MDGIZDYAYCWMMN-QWRGUYRKSA-N 2 0 326.366 3.141 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(Br)n2)CC1 ZINC001205969477 1370924961 /nfs/dbraw/zinc/92/49/61/1370924961.db2.gz ZMPJXUYRCFXOJD-UHFFFAOYSA-N 2 0 340.309 3.396 20 0 EGADRP C[C@@H]1C[N@H+](CCc2ccccc2Br)CCC[C@@H]1C[NH3+] ZINC001205981902 1370928812 /nfs/dbraw/zinc/92/88/12/1370928812.db2.gz IVGQUNQKLFZKIM-UKRRQHHQSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(Oc3ncccn3)c2)CCC[C@H]1C[NH3+] ZINC001205995233 1370932984 /nfs/dbraw/zinc/93/29/84/1370932984.db2.gz NIRMDBFHPBATHH-WBVHZDCISA-N 2 0 326.444 3.076 20 0 EGADRP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3F)nc2)CCC[C@@H]1C[NH3+] ZINC001206003290 1370935639 /nfs/dbraw/zinc/93/56/39/1370935639.db2.gz GJGATBOCVAHXHX-GOEBONIOSA-N 2 0 328.435 3.090 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206005911 1370936234 /nfs/dbraw/zinc/93/62/34/1370936234.db2.gz DUDFNDJDKGEIBJ-PRPIBZDOSA-N 2 0 349.563 3.293 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1OC(=O)C(C)C ZINC001206015005 1370939479 /nfs/dbraw/zinc/93/94/79/1370939479.db2.gz ZGMHUXVIERDYBM-NVXWUHKLSA-N 2 0 348.487 3.063 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001206245361 1371002525 /nfs/dbraw/zinc/00/25/25/1371002525.db2.gz HANMAWZBZWGWGS-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(OCc3ccccc3)no2)CC1 ZINC001206318941 1371020080 /nfs/dbraw/zinc/02/00/80/1371020080.db2.gz VLMXYCMEWCIHTJ-IBGZPJMESA-N 2 0 329.444 3.205 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(OC)cc1Cl ZINC001206317020 1371020407 /nfs/dbraw/zinc/02/04/07/1371020407.db2.gz BAIFZSHKVDKPTG-KRWDZBQOSA-N 2 0 326.868 3.308 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481742 1371068535 /nfs/dbraw/zinc/06/85/35/1371068535.db2.gz JWUYEUZRRALJCQ-HMECNJMJSA-N 2 0 349.563 3.435 20 0 EGADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)cc2c1NC(C)(C)C=C2 ZINC001206507037 1371076858 /nfs/dbraw/zinc/07/68/58/1371076858.db2.gz XYEGFMCHGLANTP-UHFFFAOYSA-N 2 0 329.488 3.473 20 0 EGADRP C[C@@]1(C[NH3+])CCCCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206541764 1371088008 /nfs/dbraw/zinc/08/80/08/1371088008.db2.gz JRWLRFCQHVEJIX-RTWAWAEBSA-N 2 0 329.532 3.350 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206548878 1371090710 /nfs/dbraw/zinc/09/07/10/1371090710.db2.gz RUEWYRNRNDKXHU-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(OC(F)(F)F)ccc2N)C1 ZINC001206554889 1371092531 /nfs/dbraw/zinc/09/25/31/1371092531.db2.gz IAIHWYGZOOAPAJ-OAHLLOKOSA-N 2 0 331.382 3.118 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206623161 1371111733 /nfs/dbraw/zinc/11/17/33/1371111733.db2.gz JPLLABUCQVDQNP-HNNXBMFYSA-N 2 0 343.471 3.214 20 0 EGADRP [NH3+][C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC001118206187 1371146534 /nfs/dbraw/zinc/14/65/34/1371146534.db2.gz XXTXYPMERHUTPP-IBGZPJMESA-N 2 0 335.536 3.009 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263222 1371153677 /nfs/dbraw/zinc/15/36/77/1371153677.db2.gz DSPSAFNFXNICRK-OAHLLOKOSA-N 2 0 326.444 3.263 20 0 EGADRP C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1c(Br)[nH]c2ccccc21 ZINC001206767653 1371157402 /nfs/dbraw/zinc/15/74/02/1371157402.db2.gz DEYLAWIWJVCQDL-NEPJUHHUSA-N 2 0 336.277 3.490 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001118386542 1371171275 /nfs/dbraw/zinc/17/12/75/1371171275.db2.gz DKZBMABZRBVTKA-OAQYLSRUSA-N 2 0 343.515 3.338 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001206856775 1371191399 /nfs/dbraw/zinc/19/13/99/1371191399.db2.gz ANPNOKBYTSKODP-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206947625 1371240149 /nfs/dbraw/zinc/24/01/49/1371240149.db2.gz CJYPITPYZZLLBM-PWBPZBFBSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)c1nc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cs1 ZINC001118985191 1371259619 /nfs/dbraw/zinc/25/96/19/1371259619.db2.gz NFKOMKRVKIMRRL-UHFFFAOYSA-N 2 0 331.489 3.025 20 0 EGADRP O=c1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001207072539 1371285510 /nfs/dbraw/zinc/28/55/10/1371285510.db2.gz JFERWLGTHPJKOQ-MOPGFXCFSA-N 2 0 337.467 3.131 20 0 EGADRP COC(C[NH+]1CCC2(CC[NH+](Cc3ccc(C)cc3)CC2)CC1)OC ZINC001207249085 1371341631 /nfs/dbraw/zinc/34/16/31/1371341631.db2.gz KLNMZBDAPFUFNQ-UHFFFAOYSA-N 2 0 346.515 3.292 20 0 EGADRP CC1=CC[C@@H](CC[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1(C)C ZINC001207277810 1371347934 /nfs/dbraw/zinc/34/79/34/1371347934.db2.gz VWFSYIQCHURJGK-SFHVURJKSA-N 2 0 347.547 3.031 20 0 EGADRP CC1=CC[C@H](CC[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)C1(C)C ZINC001207275511 1371348013 /nfs/dbraw/zinc/34/80/13/1371348013.db2.gz KPGPELZHCFKMGF-HXUWFJFHSA-N 2 0 333.564 3.328 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001207279210 1371349069 /nfs/dbraw/zinc/34/90/69/1371349069.db2.gz ISNGLFPVLRVCRT-IBGZPJMESA-N 2 0 339.524 3.050 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@H](N4CCCC4)C3)CC2)cc1 ZINC001207290401 1371353043 /nfs/dbraw/zinc/35/30/43/1371353043.db2.gz BHFWREKTYVEIIL-OAQYLSRUSA-N 2 0 327.516 3.069 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001207402727 1371386059 /nfs/dbraw/zinc/38/60/59/1371386059.db2.gz MNAZSPHBWMRVFP-FGZHOGPDSA-N 3 0 341.543 3.172 20 0 EGADRP COc1cccc(CC[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1 ZINC001207426641 1371392120 /nfs/dbraw/zinc/39/21/20/1371392120.db2.gz HXGGQZVWUMXMCW-HDICACEKSA-N 2 0 342.508 3.363 20 0 EGADRP COc1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001207477549 1371407676 /nfs/dbraw/zinc/40/76/76/1371407676.db2.gz MVVKZZZHYBEYSX-NHCUHLMSSA-N 2 0 336.479 3.302 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537683 1371429507 /nfs/dbraw/zinc/42/95/07/1371429507.db2.gz GONHRTUWFGZNQM-PDTMIUJASA-N 2 0 349.563 3.147 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001119987984 1371442630 /nfs/dbraw/zinc/44/26/30/1371442630.db2.gz DAQOXZIQMITBGT-YQVWRLOYSA-N 2 0 339.483 3.406 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001120041204 1371466610 /nfs/dbraw/zinc/46/66/10/1371466610.db2.gz GTHBBPIYQXXKSW-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C)[NH+](C)C ZINC001207703286 1371479377 /nfs/dbraw/zinc/47/93/77/1371479377.db2.gz VWICKYUATUTQTE-NSISKUIASA-N 2 0 345.531 3.087 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCC3=CCCCC3)CCCCC2)C1 ZINC001120129453 1371491878 /nfs/dbraw/zinc/49/18/78/1371491878.db2.gz ICMIWZAPPKDWBC-IBGZPJMESA-N 2 0 347.547 3.237 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190076 1371503193 /nfs/dbraw/zinc/50/31/93/1371503193.db2.gz RCCPHBDDYCZBAD-HDICACEKSA-N 2 0 337.552 3.458 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120190556 1371503474 /nfs/dbraw/zinc/50/34/74/1371503474.db2.gz VIKGRMBOSMCNNZ-KRWDZBQOSA-N 2 0 341.515 3.019 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120365613 1371550042 /nfs/dbraw/zinc/55/00/42/1371550042.db2.gz UKWLQRUBVHQPHK-MSOLQXFVSA-N 2 0 346.519 3.236 20 0 EGADRP C1=C2CCC[N@@H+](C[C@H]3CCCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207959513 1371551170 /nfs/dbraw/zinc/55/11/70/1371551170.db2.gz MUDRVCWDNGDSBU-SRHPJPHMSA-N 2 0 330.516 3.451 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001120432225 1371575071 /nfs/dbraw/zinc/57/50/71/1371575071.db2.gz ZATVEEKRJCOZIE-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001120431609 1371575315 /nfs/dbraw/zinc/57/53/15/1371575315.db2.gz UYMOXEQAOYSXDL-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001120432293 1371575641 /nfs/dbraw/zinc/57/56/41/1371575641.db2.gz ZPQUYPSEKNJZBV-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048164 1371579806 /nfs/dbraw/zinc/57/98/06/1371579806.db2.gz BYBVMQFTMMQLTN-RTBURBONSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001120462277 1371585114 /nfs/dbraw/zinc/58/51/14/1371585114.db2.gz WAVCXDNEWRNIMO-PMACEKPBSA-N 2 0 349.563 3.366 20 0 EGADRP c1cnn(CCC[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)c1 ZINC001208078741 1371589153 /nfs/dbraw/zinc/58/91/53/1371589153.db2.gz KSMJAINPZSAHJI-UHFFFAOYSA-N 2 0 344.528 3.323 20 0 EGADRP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208109059 1371596388 /nfs/dbraw/zinc/59/63/88/1371596388.db2.gz LCLXXGVJWYXLQK-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001208105625 1371596561 /nfs/dbraw/zinc/59/65/61/1371596561.db2.gz AKIIPBYYFCEBMH-IBGZPJMESA-N 2 0 344.499 3.316 20 0 EGADRP COc1ccccc1O[C@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208107576 1371597140 /nfs/dbraw/zinc/59/71/40/1371597140.db2.gz WICCVCOOMUOYFU-KRWDZBQOSA-N 2 0 332.488 3.270 20 0 EGADRP C[N@H+](Cc1cncc(Br)c1)CC1(C)CC[NH+](C)CC1 ZINC001208110457 1371597545 /nfs/dbraw/zinc/59/75/45/1371597545.db2.gz SPEXCXAEJYOIMJ-UHFFFAOYSA-N 2 0 326.282 3.008 20 0 EGADRP CC[N@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001208109563 1371597782 /nfs/dbraw/zinc/59/77/82/1371597782.db2.gz PAXKBOIGOSHBSX-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP C[NH+]1CCC(C)(CN2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001208112220 1371598531 /nfs/dbraw/zinc/59/85/31/1371598531.db2.gz TTXQMSZUAKMWBT-UHFFFAOYSA-N 2 0 340.446 3.330 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001208116619 1371600637 /nfs/dbraw/zinc/60/06/37/1371600637.db2.gz YTNGLOJSWJHWBF-UHFFFAOYSA-N 2 0 332.463 3.452 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001120582341 1371622240 /nfs/dbraw/zinc/62/22/40/1371622240.db2.gz IASMCYXOAPCOEK-CQSZACIVSA-N 2 0 337.895 3.379 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)CCCC1 ZINC001208188083 1371625764 /nfs/dbraw/zinc/62/57/64/1371625764.db2.gz SMRCPMJFRQPLMA-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)CCCC1 ZINC001208189041 1371630204 /nfs/dbraw/zinc/63/02/04/1371630204.db2.gz PQZLGVYEUMWVNI-UHFFFAOYSA-N 2 0 333.495 3.460 20 0 EGADRP COC(C)(C)CCC[C@H](C)CC[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001208216241 1371656599 /nfs/dbraw/zinc/65/65/99/1371656599.db2.gz FLCHXAXTTKQHIW-IBGZPJMESA-N 2 0 341.584 3.177 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208279358 1371696710 /nfs/dbraw/zinc/69/67/10/1371696710.db2.gz ODXPHYGHKQMDAS-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208331404 1371720218 /nfs/dbraw/zinc/72/02/18/1371720218.db2.gz RPRJCDVSVDFGMW-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334562 1371722264 /nfs/dbraw/zinc/72/22/64/1371722264.db2.gz JXIFYWSHLRKJMR-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001208341344 1371725261 /nfs/dbraw/zinc/72/52/61/1371725261.db2.gz ZHNORRUIPHERHE-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001208453715 1371772263 /nfs/dbraw/zinc/77/22/63/1371772263.db2.gz NOGRKDKOETVLBO-GOSISDBHSA-N 2 0 335.536 3.188 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001208593163 1371832866 /nfs/dbraw/zinc/83/28/66/1371832866.db2.gz OWGIWKWSESCQLL-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001208599796 1371836275 /nfs/dbraw/zinc/83/62/75/1371836275.db2.gz BTHZOIFSRIRBHF-UHFFFAOYSA-N 3 0 341.543 3.316 20 0 EGADRP C[NH+]1CCC(N(Cc2ccc(F)cc2)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208615665 1371840834 /nfs/dbraw/zinc/84/08/34/1371840834.db2.gz WOKURDWMNQSCMZ-SFHVURJKSA-N 2 0 333.495 3.064 20 0 EGADRP C[C@H](CC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1)CC(C)(C)C ZINC001208660350 1371854613 /nfs/dbraw/zinc/85/46/13/1371854613.db2.gz OUXMQSCSSVDSPP-YRXWBPOGSA-N 2 0 347.551 3.135 20 0 EGADRP C[NH+](C)CCN(CCCc1ccc(C(F)(F)F)cc1)CC[NH+](C)C ZINC001208690844 1371862634 /nfs/dbraw/zinc/86/26/34/1371862634.db2.gz VEWHLOOQAVFRKT-UHFFFAOYSA-N 2 0 345.453 3.063 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CC[NH2+]C1 ZINC001326355570 1388164423 /nfs/dbraw/zinc/16/44/23/1388164423.db2.gz ARCUKHVBJGFSRI-HXUWFJFHSA-N 2 0 329.488 3.247 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758400 1371885368 /nfs/dbraw/zinc/88/53/68/1371885368.db2.gz JHXYUXOPHJLRNI-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208793663 1371898069 /nfs/dbraw/zinc/89/80/69/1371898069.db2.gz WSDRWFRTPTWXMR-RLLQIKCJSA-N 2 0 344.499 3.030 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC3(C2)CC([NH2+]CCCC2CCC2)C3)CCC1 ZINC001121238187 1371904169 /nfs/dbraw/zinc/90/41/69/1371904169.db2.gz LGPOQPPMSMHVMP-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121244978 1371906422 /nfs/dbraw/zinc/90/64/22/1371906422.db2.gz AAFYPJKZQLKBIA-WAYWQWQTSA-N 2 0 347.547 3.234 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261478 1371912362 /nfs/dbraw/zinc/91/23/62/1371912362.db2.gz WPVUOIAPXCQDAY-QAELIBMJSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](CCCc1ccccc1Br)CC2 ZINC001208848185 1371916248 /nfs/dbraw/zinc/91/62/48/1371916248.db2.gz LSXHOPKFNUFBQQ-UHFFFAOYSA-N 2 0 337.305 3.409 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](CC3CCN(c4ccccc4)CC3)C2)CC1 ZINC001208912185 1371941397 /nfs/dbraw/zinc/94/13/97/1371941397.db2.gz OVKDFWZEWUWYCT-UHFFFAOYSA-N 2 0 327.516 3.321 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@]1(C)O ZINC001208931284 1371950114 /nfs/dbraw/zinc/95/01/14/1371950114.db2.gz IUXJIMBDMIUKON-NRSPTQNISA-N 2 0 330.516 3.382 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208934356 1371951947 /nfs/dbraw/zinc/95/19/47/1371951947.db2.gz FMUURYLZOMONMC-YADHBBJMSA-N 2 0 341.543 3.459 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001208934693 1371952451 /nfs/dbraw/zinc/95/24/51/1371952451.db2.gz FXKPVAJBAKKVKU-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP CCN(CC[NH+]1CCCC1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937238 1371953424 /nfs/dbraw/zinc/95/34/24/1371953424.db2.gz RZMHNQMWPLFOIF-OAQYLSRUSA-N 2 0 329.532 3.316 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940490 1371954114 /nfs/dbraw/zinc/95/41/14/1371954114.db2.gz SIGITJFUWSRHDY-NHCUHLMSSA-N 2 0 329.532 3.315 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC001208940319 1371954447 /nfs/dbraw/zinc/95/44/47/1371954447.db2.gz RJKRZJXGRPPTIL-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CCC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC001208938088 1371954656 /nfs/dbraw/zinc/95/46/56/1371954656.db2.gz WUNNNDNWHHAMTN-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948170 1371958553 /nfs/dbraw/zinc/95/85/53/1371958553.db2.gz FLNGYEKXPCIKAE-CTNGQTDRSA-N 2 0 337.467 3.057 20 0 EGADRP CC(C)[N@H+](C)[C@@H]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946331 1371959552 /nfs/dbraw/zinc/95/95/52/1371959552.db2.gz UVTPMKFGXHIVPV-LEWJYISDSA-N 2 0 329.532 3.313 20 0 EGADRP CCOC(C)(C)C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001209066630 1371987219 /nfs/dbraw/zinc/98/72/19/1371987219.db2.gz JQDAMQFHTKJYSI-UHFFFAOYSA-N 2 0 327.472 3.480 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](CCCc2cccnc2)CC1 ZINC001209185924 1372030122 /nfs/dbraw/zinc/03/01/22/1372030122.db2.gz RZUXODXTWPOAKJ-UHFFFAOYSA-N 2 0 346.563 3.144 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628262 1372030158 /nfs/dbraw/zinc/03/01/58/1372030158.db2.gz ILIVLVPCRMHGRR-DROCGIDASA-N 2 0 347.547 3.090 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209205057 1372037871 /nfs/dbraw/zinc/03/78/71/1372037871.db2.gz MLWMUDSLAPCGHN-SLVIYJBESA-N 2 0 349.563 3.435 20 0 EGADRP Cn1cc(CN2CCCC23CC[NH+](CCc2cccs2)CC3)cn1 ZINC001209222074 1372041570 /nfs/dbraw/zinc/04/15/70/1372041570.db2.gz HKGMHEMYUNHBMX-UHFFFAOYSA-N 2 0 344.528 3.155 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](CCc2cccs2)CC1 ZINC001209228940 1372044608 /nfs/dbraw/zinc/04/46/08/1372044608.db2.gz SGBBAYFYVJFPTO-UHFFFAOYSA-N 2 0 337.577 3.420 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001209302523 1372063364 /nfs/dbraw/zinc/06/33/64/1372063364.db2.gz GMCUTLHMEOBZKN-RBUKOAKNSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121767761 1372074993 /nfs/dbraw/zinc/07/49/93/1372074993.db2.gz KAKFCHMFNKQODM-IPHBXJNRSA-N 2 0 349.563 3.170 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)CCCCNC(=O)OC(C)(C)C)CC1 ZINC001209368991 1372080131 /nfs/dbraw/zinc/08/01/31/1372080131.db2.gz ZIMDAZACJJRMHP-UHFFFAOYSA-N 2 0 341.540 3.488 20 0 EGADRP CCOC(=O)[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]2CCCC[C@@H]12 ZINC001209450953 1372108826 /nfs/dbraw/zinc/10/88/26/1372108826.db2.gz WERXREAEAOKSSJ-QRVBRYPASA-N 2 0 336.520 3.164 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001121924355 1372124409 /nfs/dbraw/zinc/12/44/09/1372124409.db2.gz WLOZVZROMIFQDB-WZXTXQKWSA-N 2 0 337.552 3.170 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2)C(C)C ZINC001121924393 1372124529 /nfs/dbraw/zinc/12/45/29/1372124529.db2.gz YLNRTLKAUDLAFR-FCOWATRHSA-N 2 0 349.563 3.336 20 0 EGADRP Brc1ccc2c(C3CN(Cc4cncs4)C3)[nH+]cn2c1 ZINC001209549593 1372134172 /nfs/dbraw/zinc/13/41/72/1372134172.db2.gz ARCPYZBJTWWLED-UHFFFAOYSA-N 2 0 349.257 3.153 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001122004806 1372151054 /nfs/dbraw/zinc/15/10/54/1372151054.db2.gz BEYPVSFEGPKUBL-XUVXKRRUSA-N 2 0 343.515 3.065 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122063939 1372166489 /nfs/dbraw/zinc/16/64/89/1372166489.db2.gz PNQGLDFGKONITP-SGPNKGFISA-N 2 0 347.547 3.090 20 0 EGADRP Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691063 1372171810 /nfs/dbraw/zinc/17/18/10/1372171810.db2.gz VAXTVLUQUKSVEQ-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP Nc1cc[nH+]cc1CN1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001209732587 1372179115 /nfs/dbraw/zinc/17/91/15/1372179115.db2.gz JEHUIDIPUYIOMN-FQEVSTJZSA-N 2 0 336.483 3.123 20 0 EGADRP [NH3+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC001122194142 1372198837 /nfs/dbraw/zinc/19/88/37/1372198837.db2.gz NWLVMAHRHIUFJN-NQIIRXRSSA-N 2 0 349.478 3.130 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001122231804 1372207647 /nfs/dbraw/zinc/20/76/47/1372207647.db2.gz YOXCVRRYEFBXHZ-ACVRPFEBSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001122248935 1372211579 /nfs/dbraw/zinc/21/15/79/1372211579.db2.gz OGNHKRAZSCSILW-UHFFFAOYSA-N 2 0 337.552 3.170 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001210041156 1372261425 /nfs/dbraw/zinc/26/14/25/1372261425.db2.gz QHLLMFYJUIYMMG-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CC[NH2+]C[C@H]3c3ccccc3)C2)cc1 ZINC001210196971 1372291700 /nfs/dbraw/zinc/29/17/00/1372291700.db2.gz TULHRMYLZREUNM-IRLDBZIGSA-N 2 0 335.495 3.155 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CC[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001210196972 1372292233 /nfs/dbraw/zinc/29/22/33/1372292233.db2.gz TULHRMYLZREUNM-RBBKRZOGSA-N 2 0 335.495 3.155 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210236053 1372301435 /nfs/dbraw/zinc/30/14/35/1372301435.db2.gz IKQWDMBQJRCFDU-QZTJIDSGSA-N 2 0 325.541 3.125 20 0 EGADRP O=C1CCCCc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc21 ZINC001210265329 1372309390 /nfs/dbraw/zinc/30/93/90/1372309390.db2.gz BNGAMWJNLPZASJ-UHFFFAOYSA-N 2 0 336.439 3.144 20 0 EGADRP c1ccc(N2CCCCC2)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210267102 1372310119 /nfs/dbraw/zinc/31/01/19/1372310119.db2.gz WHIDKBCAGBVQDP-UHFFFAOYSA-N 2 0 337.471 3.225 20 0 EGADRP CCCCOc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210266945 1372310658 /nfs/dbraw/zinc/31/06/58/1372310658.db2.gz USIZMACUOXVLSE-UHFFFAOYSA-N 2 0 326.444 3.414 20 0 EGADRP Oc1c(Cl)cc(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210269481 1372311148 /nfs/dbraw/zinc/31/11/48/1372311148.db2.gz UYRYZXVKRKITBV-UHFFFAOYSA-N 2 0 339.226 3.247 20 0 EGADRP CC(=O)c1cc(Cl)c(F)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267748 1372311195 /nfs/dbraw/zinc/31/11/95/1372311195.db2.gz MQVLAGPCXONFBY-UHFFFAOYSA-N 2 0 348.809 3.230 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001187921773 1388190227 /nfs/dbraw/zinc/19/02/27/1388190227.db2.gz XWDLJEGCEBABFV-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001210485391 1372364646 /nfs/dbraw/zinc/36/46/46/1372364646.db2.gz JCTFPJPLZZRWRQ-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210596412 1372387442 /nfs/dbraw/zinc/38/74/42/1372387442.db2.gz WKLJDRLHXIGZQU-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001210742752 1372417135 /nfs/dbraw/zinc/41/71/35/1372417135.db2.gz FQNDUXMYERDOGZ-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH2+]Cc1ccc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001211128188 1372488614 /nfs/dbraw/zinc/48/86/14/1372488614.db2.gz AMGPGSLLFIFRTH-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001211256572 1372513547 /nfs/dbraw/zinc/51/35/47/1372513547.db2.gz JFFSVPSIZSFZFQ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211691122 1372603428 /nfs/dbraw/zinc/60/34/28/1372603428.db2.gz VRWDTVQACDQDQX-VQTJNVASSA-N 2 0 345.531 3.103 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001212336260 1372690153 /nfs/dbraw/zinc/69/01/53/1372690153.db2.gz XWLUQXQABJGBID-AWEZNQCLSA-N 2 0 329.231 3.346 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1C ZINC001214917321 1373141753 /nfs/dbraw/zinc/14/17/53/1373141753.db2.gz VRFAKTFSZRGZDS-GUDVDZBRSA-N 2 0 348.535 3.487 20 0 EGADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001215069463 1373164483 /nfs/dbraw/zinc/16/44/83/1373164483.db2.gz PLUFTIPRUCVPIC-CRAIPNDOSA-N 2 0 342.487 3.211 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774365 1373236207 /nfs/dbraw/zinc/23/62/07/1373236207.db2.gz NETJNQJBYMDPFV-IOIJZZRGSA-N 2 0 335.536 3.042 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001216772647 1373341297 /nfs/dbraw/zinc/34/12/97/1373341297.db2.gz HXTASFLVVFKVKQ-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001216843148 1373350014 /nfs/dbraw/zinc/35/00/14/1373350014.db2.gz YEYLXTSXASUYHS-AJWBFMOXSA-N 2 0 343.515 3.155 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216981219 1373374875 /nfs/dbraw/zinc/37/48/75/1373374875.db2.gz XUCCTUGJFOYEMW-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[C@@H](OC[C@@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)CC[NH2+]1 ZINC001217791733 1373500192 /nfs/dbraw/zinc/50/01/92/1373500192.db2.gz PEWHSWYSEMYKAW-SLYNCCJLSA-N 2 0 346.515 3.213 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](OCCC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC001217928844 1373512682 /nfs/dbraw/zinc/51/26/82/1373512682.db2.gz HTTPGFMMHBOTRC-PWRODBHTSA-N 2 0 328.500 3.303 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001130422112 1373531343 /nfs/dbraw/zinc/53/13/43/1373531343.db2.gz XHKGVFTURZRKNS-UHFFFAOYSA-N 2 0 347.547 3.165 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1cccc(F)c1 ZINC001130622281 1373570893 /nfs/dbraw/zinc/57/08/93/1373570893.db2.gz AUJFRPYQQWSUBV-OAHLLOKOSA-N 2 0 349.494 3.246 20 0 EGADRP CCc1cccc(C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC001130615378 1373571212 /nfs/dbraw/zinc/57/12/12/1373571212.db2.gz KXMJXDRQJLCLCC-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]CC/C=C/c2ccccc2)ccc2c[nH+]cn21 ZINC001130658876 1373577273 /nfs/dbraw/zinc/57/72/73/1373577273.db2.gz USDBHXUZCMABSC-WEVVVXLNSA-N 2 0 348.450 3.066 20 0 EGADRP C[C@H](Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3)C1C[NH2+]C1 ZINC001218198601 1373577566 /nfs/dbraw/zinc/57/75/66/1373577566.db2.gz NTKWMZRGLGGYRR-SFPRVHAESA-N 2 0 340.511 3.362 20 0 EGADRP CC[C@@H](c1cccc(OC[C@@H]2C[NH2+]CCCO2)c1)[C@@H](C)C[NH+](C)C ZINC001218301194 1373591018 /nfs/dbraw/zinc/59/10/18/1373591018.db2.gz ZLCVPAITYDBBBI-FFZOFVMBSA-N 2 0 334.504 3.135 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2ccc4c(n2)CC[NH2+]C4)C3)cc1 ZINC001218342937 1373600263 /nfs/dbraw/zinc/60/02/63/1373600263.db2.gz AXDHADULOFBNAC-ACDBMABISA-N 2 0 349.478 3.302 20 0 EGADRP C[C@@H]1CC[C@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C[NH2+]1 ZINC001218401419 1373608214 /nfs/dbraw/zinc/60/82/14/1373608214.db2.gz HMPPMIXTGLJOBR-PBHICJAKSA-N 2 0 327.472 3.496 20 0 EGADRP Cc1ccccc1-c1cccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001218955802 1373670539 /nfs/dbraw/zinc/67/05/39/1373670539.db2.gz KDVXQOVRZVKQED-KRWDZBQOSA-N 2 0 325.456 3.447 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001218994018 1373675960 /nfs/dbraw/zinc/67/59/60/1373675960.db2.gz ZRWAZBGPSSFKGO-IBGZPJMESA-N 2 0 349.478 3.449 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001218997708 1373676555 /nfs/dbraw/zinc/67/65/55/1373676555.db2.gz WDMWFMAGGTYAKX-VAMGGRTRSA-N 2 0 349.478 3.095 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001218996576 1373676829 /nfs/dbraw/zinc/67/68/29/1373676829.db2.gz KHCFAZICNGRPFY-QKNQBKEWSA-N 2 0 349.478 3.238 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC001131375273 1373686106 /nfs/dbraw/zinc/68/61/06/1373686106.db2.gz VWQQVWMFKXWRQQ-ZDUSSCGKSA-N 2 0 342.830 3.068 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001131374676 1373686421 /nfs/dbraw/zinc/68/64/21/1373686421.db2.gz HXYLOTDLQDDCHN-INIZCTEOSA-N 2 0 336.439 3.032 20 0 EGADRP C[C@]1(C(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)CCC[NH2+]1 ZINC001219486363 1373711702 /nfs/dbraw/zinc/71/17/02/1373711702.db2.gz IMBSQKSTCPYQKR-TZIWHRDSSA-N 2 0 341.499 3.110 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)NC[C@]1(F)CCC[NH2+]C1)c1ccccc1 ZINC001219768171 1373731888 /nfs/dbraw/zinc/73/18/88/1373731888.db2.gz KPORCCDDLMPVPJ-ICSRJNTNSA-N 2 0 349.494 3.058 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222071972 1373815503 /nfs/dbraw/zinc/81/55/03/1373815503.db2.gz FGXXLHYGLDDJQI-DLBZAZTESA-N 2 0 349.519 3.362 20 0 EGADRP CCc1ccccc1C[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815491 1373819451 /nfs/dbraw/zinc/81/94/51/1373819451.db2.gz FVCADTRKCVYKHV-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC2(CCCC[NH2+]2)CC1 ZINC001222293138 1373826451 /nfs/dbraw/zinc/82/64/51/1373826451.db2.gz PJQDGPFWMJLAPT-UHFFFAOYSA-N 2 0 348.560 3.027 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929433 1375047954 /nfs/dbraw/zinc/04/79/54/1375047954.db2.gz VNYVRRMGLUVKLY-YADGQWAMSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962506 1375049804 /nfs/dbraw/zinc/04/98/04/1375049804.db2.gz RIVNZHLISWRLRC-CLJKYYQGSA-N 2 0 349.563 3.388 20 0 EGADRP CCCC[NH+]1CCC(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143431 1375094565 /nfs/dbraw/zinc/09/45/65/1375094565.db2.gz ZTWJBHJFMVCQMH-NRFANRHFSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001225542742 1375122187 /nfs/dbraw/zinc/12/21/87/1375122187.db2.gz ODXMENSTCKVWLZ-CALCHBBNSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132089956 1375140006 /nfs/dbraw/zinc/14/00/06/1375140006.db2.gz BDRLUZRBHIPWKS-WXFDERKXSA-N 2 0 332.492 3.058 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCCC(C)(C)C ZINC001132149097 1375170887 /nfs/dbraw/zinc/17/08/87/1375170887.db2.gz FWDHDMDOXCRPPM-QZTJIDSGSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CCCCCF ZINC001132153916 1375174041 /nfs/dbraw/zinc/17/40/41/1375174041.db2.gz VBBGHBVQMWLPLL-NVXWUHKLSA-N 2 0 346.450 3.057 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132154356 1375174111 /nfs/dbraw/zinc/17/41/11/1375174111.db2.gz ZCOGIBSVBNYOMA-HKUYNNGSSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCCC(C)(C)C ZINC001132266029 1375255291 /nfs/dbraw/zinc/25/52/91/1375255291.db2.gz VCMBYPKWDBRYAV-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCCC1CCCC1 ZINC001132269066 1375256965 /nfs/dbraw/zinc/25/69/65/1375256965.db2.gz DVDJFPOPPAKRRK-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001132310264 1375288169 /nfs/dbraw/zinc/28/81/69/1375288169.db2.gz JYRQRKPEKPFVCD-HKUYNNGSSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132339891 1375318446 /nfs/dbraw/zinc/31/84/46/1375318446.db2.gz KZPNEVLAILHFDR-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132411068 1375359807 /nfs/dbraw/zinc/35/98/07/1375359807.db2.gz SJZCXBYSWRLJTH-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132411031 1375360338 /nfs/dbraw/zinc/36/03/38/1375360338.db2.gz RYBPQUUUVPOCMN-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132435742 1375379611 /nfs/dbraw/zinc/37/96/11/1375379611.db2.gz FUSBUBHDAWZXND-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132435740 1375379939 /nfs/dbraw/zinc/37/99/39/1375379939.db2.gz FUSBUBHDAWZXND-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132437144 1375380608 /nfs/dbraw/zinc/38/06/08/1375380608.db2.gz QROSXRGVJUZGOO-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCC2)C1 ZINC001132436368 1375380793 /nfs/dbraw/zinc/38/07/93/1375380793.db2.gz KWUZXQUIOXJTOQ-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132437143 1375381395 /nfs/dbraw/zinc/38/13/95/1375381395.db2.gz QROSXRGVJUZGOO-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132518132 1375435560 /nfs/dbraw/zinc/43/55/60/1375435560.db2.gz IWGPDEBYSKICDG-MJGOQNOKSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132518748 1375437099 /nfs/dbraw/zinc/43/70/99/1375437099.db2.gz NSIOZAYNONHHNP-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132519396 1375437585 /nfs/dbraw/zinc/43/75/85/1375437585.db2.gz YDKXDDZYFAZZAH-DLBZAZTESA-N 2 0 325.541 3.122 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001132524821 1375440750 /nfs/dbraw/zinc/44/07/50/1375440750.db2.gz MGHWOGQXHJPTFK-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001132524819 1375440929 /nfs/dbraw/zinc/44/09/29/1375440929.db2.gz MGHWOGQXHJPTFK-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001228355048 1375555672 /nfs/dbraw/zinc/55/56/72/1375555672.db2.gz IHRGSTVHPZZMFD-DFQSSKMNSA-N 2 0 345.531 3.333 20 0 EGADRP O=C(NCC[NH2+]CCC1=CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794801 1375568690 /nfs/dbraw/zinc/56/86/90/1375568690.db2.gz GNLLTNIBXMBFOE-HXUWFJFHSA-N 2 0 347.547 3.380 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559348 1375598265 /nfs/dbraw/zinc/59/82/65/1375598265.db2.gz PIKGLRMUANTUEZ-QLTKYKRFSA-N 2 0 337.552 3.480 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C)C1 ZINC001228603666 1375612148 /nfs/dbraw/zinc/61/21/48/1375612148.db2.gz RHIVCPBHHWFIAO-KZNAEPCWSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132894113 1375630563 /nfs/dbraw/zinc/63/05/63/1375630563.db2.gz XGHCEKZSGAWJMR-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001133011174 1375709836 /nfs/dbraw/zinc/70/98/36/1375709836.db2.gz HISSFTMYVCEGCF-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)c1ccccc1C[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904466 1375709937 /nfs/dbraw/zinc/70/99/37/1375709937.db2.gz HTBSKSGBOVYMRJ-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133011833 1375710268 /nfs/dbraw/zinc/71/02/68/1375710268.db2.gz NFGJHYNRPVXIAA-RBUKOAKNSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001230016445 1375931389 /nfs/dbraw/zinc/93/13/89/1375931389.db2.gz NZDJSEJLSHVROT-QGZVFWFLSA-N 2 0 343.531 3.217 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001230107479 1375943763 /nfs/dbraw/zinc/94/37/63/1375943763.db2.gz HCRIXPIRZAWBSU-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001230248055 1375976255 /nfs/dbraw/zinc/97/62/55/1375976255.db2.gz VFWCQTYOWGIHOL-WOJBJXKFSA-N 2 0 345.531 3.425 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001230256809 1375978048 /nfs/dbraw/zinc/97/80/48/1375978048.db2.gz BDQZUBUDSJEZLS-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001230284876 1375983772 /nfs/dbraw/zinc/98/37/72/1375983772.db2.gz XTTNFPRQQHZGPJ-RTBURBONSA-N 2 0 337.552 3.314 20 0 EGADRP CCC(CC)C[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230288031 1375985654 /nfs/dbraw/zinc/98/56/54/1375985654.db2.gz GWNXNFKNSXAIOS-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001230359523 1376008062 /nfs/dbraw/zinc/00/80/62/1376008062.db2.gz CKXXEQXZJNDHLP-WAYWQWQTSA-N 2 0 343.515 3.299 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230377895 1376009765 /nfs/dbraw/zinc/00/97/65/1376009765.db2.gz CBBRCZBOCFWABV-XJDXJNMNSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377906 1376010289 /nfs/dbraw/zinc/01/02/89/1376010289.db2.gz COSHXJQRWRVOCA-UEKDZROGSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CCC(C)C)CC1 ZINC001230617504 1376103893 /nfs/dbraw/zinc/10/38/93/1376103893.db2.gz BJULVFSTDNOPOT-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](CC)CC ZINC001133684119 1376152997 /nfs/dbraw/zinc/15/29/97/1376152997.db2.gz DDFFQYZDOZFGPZ-PBHICJAKSA-N 2 0 339.911 3.227 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(CC(C)C)cc1)[NH+](CC)CC ZINC001133690447 1376157737 /nfs/dbraw/zinc/15/77/37/1376157737.db2.gz LTITVLMAZQISJJ-FQEVSTJZSA-N 2 0 347.547 3.211 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001327187101 1388430070 /nfs/dbraw/zinc/43/00/70/1388430070.db2.gz AQEBHHUHUBNYNQ-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)c1ccc(Cl)cc1 ZINC001133917490 1376264143 /nfs/dbraw/zinc/26/41/43/1376264143.db2.gz AEFOCZFIFKHDGQ-CQSZACIVSA-N 2 0 339.911 3.085 20 0 EGADRP CCOC(=O)C1(C)CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232145717 1376409248 /nfs/dbraw/zinc/40/92/48/1376409248.db2.gz FFORFZOIVDYHFB-UHFFFAOYSA-N 2 0 336.451 3.053 20 0 EGADRP CCCCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001232365963 1376448877 /nfs/dbraw/zinc/44/88/77/1376448877.db2.gz UAURMCHVDNKAOG-UHFFFAOYSA-N 2 0 330.520 3.236 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(OC)cc1Cl ZINC001232373664 1376452522 /nfs/dbraw/zinc/45/25/22/1376452522.db2.gz PCQLBEIHTZFBQS-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370079 1376498433 /nfs/dbraw/zinc/49/84/33/1376498433.db2.gz XEWYEZAAJSKEDT-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134518037 1376574710 /nfs/dbraw/zinc/57/47/10/1376574710.db2.gz AAHAWSPUCGQHEF-CABCVRRESA-N 2 0 339.549 3.486 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584189 1376608145 /nfs/dbraw/zinc/60/81/45/1376608145.db2.gz RMMKOLOTAXIQLB-IAGOWNOFSA-N 2 0 335.536 3.234 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCCCCC1 ZINC001134583794 1376608406 /nfs/dbraw/zinc/60/84/06/1376608406.db2.gz OJDCSMBUCAKRNH-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607871 1376622392 /nfs/dbraw/zinc/62/23/92/1376622392.db2.gz MZAYFQITROKOGW-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134608400 1376623179 /nfs/dbraw/zinc/62/31/79/1376623179.db2.gz VJUUCHDHKWARJF-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612800 1376624637 /nfs/dbraw/zinc/62/46/37/1376624637.db2.gz QGYRASXZJVZUNR-IRXDYDNUSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134759561 1376704487 /nfs/dbraw/zinc/70/44/87/1376704487.db2.gz SQGYPOIZOAKVGC-SFHVURJKSA-N 2 0 345.531 3.280 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134767488 1376710322 /nfs/dbraw/zinc/71/03/22/1376710322.db2.gz YSTGBHQMXXFPNQ-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001134774533 1376713206 /nfs/dbraw/zinc/71/32/06/1376713206.db2.gz ZFRFLJXMQVKQSM-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001134773177 1376713806 /nfs/dbraw/zinc/71/38/06/1376713806.db2.gz NAJHSLXDYPIKMH-DLBZAZTESA-N 2 0 333.520 3.098 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784288 1376718932 /nfs/dbraw/zinc/71/89/32/1376718932.db2.gz SCGUBJCNDCAICB-QZTJIDSGSA-N 2 0 348.535 3.217 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134792145 1376726181 /nfs/dbraw/zinc/72/61/81/1376726181.db2.gz ZAUYLRQUFWHIMR-CVEARBPZSA-N 2 0 325.541 3.312 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCCC2)ccc2c[nH+]cn21 ZINC001134809760 1376737326 /nfs/dbraw/zinc/73/73/26/1376737326.db2.gz RZTPFKAXXLMRNZ-GJZGRUSLSA-N 2 0 342.487 3.319 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858153 1376757859 /nfs/dbraw/zinc/75/78/59/1376757859.db2.gz OXYJMNOTOYSEDL-QZTJIDSGSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001234215685 1376787878 /nfs/dbraw/zinc/78/78/78/1376787878.db2.gz OPEUMGBAIJJZRR-MSOLQXFVSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993596 1376832188 /nfs/dbraw/zinc/83/21/88/1376832188.db2.gz JVCKAVVJHXJIHM-HOTGVXAUSA-N 2 0 330.476 3.257 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999826 1376835705 /nfs/dbraw/zinc/83/57/05/1376835705.db2.gz UZMQTBPIKJIJBX-JKSUJKDBSA-N 2 0 330.476 3.401 20 0 EGADRP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054635 1376844586 /nfs/dbraw/zinc/84/45/86/1376844586.db2.gz QJHDJDOOBQWIRU-HXUWFJFHSA-N 2 0 337.492 3.192 20 0 EGADRP COc1ccc2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235429733 1376870179 /nfs/dbraw/zinc/87/01/79/1376870179.db2.gz RERONZQEVPHUQO-HOTGVXAUSA-N 2 0 327.472 3.388 20 0 EGADRP Clc1cccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC001235430060 1376871599 /nfs/dbraw/zinc/87/15/99/1376871599.db2.gz WGSLEPNTMYAMIZ-HUUCEWRRSA-N 2 0 332.879 3.199 20 0 EGADRP Clc1cccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC001235430059 1376871795 /nfs/dbraw/zinc/87/17/95/1376871795.db2.gz WGSLEPNTMYAMIZ-GJZGRUSLSA-N 2 0 332.879 3.199 20 0 EGADRP COc1cccc2c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)ccnc12 ZINC001235703033 1376884744 /nfs/dbraw/zinc/88/47/44/1376884744.db2.gz OUBYTIVZIULJDP-UHFFFAOYSA-N 2 0 339.483 3.455 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082233 1376884745 /nfs/dbraw/zinc/88/47/45/1376884745.db2.gz ZKOJQFVHVIHKQN-SJORKVTESA-N 2 0 325.541 3.314 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101916 1376899112 /nfs/dbraw/zinc/89/91/12/1376899112.db2.gz TYWYOHVIHWNMAI-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP COc1ccc2c(c1)c(C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)cn2C ZINC001235883467 1376909381 /nfs/dbraw/zinc/90/93/81/1376909381.db2.gz GSAOBJYPSIOKOX-LJQANCHMSA-N 2 0 327.472 3.151 20 0 EGADRP c1ccc(C2([NH+]3CCN(Cc4ccc5c(c4)C[NH2+]C5)CC3)CC2)cc1 ZINC001236229724 1376942935 /nfs/dbraw/zinc/94/29/35/1376942935.db2.gz MUGIARVQNIEVCT-UHFFFAOYSA-N 2 0 333.479 3.097 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181496 1376954252 /nfs/dbraw/zinc/95/42/52/1376954252.db2.gz QFZHSNBYPAOLHA-RKQNLGICSA-N 2 0 337.552 3.480 20 0 EGADRP C[C@@]1(C[NH3+])CCCN(Cc2c[nH]c3cccc(Br)c23)C1 ZINC001237059368 1376974656 /nfs/dbraw/zinc/97/46/56/1376974656.db2.gz TWKLRJUFUWIBLQ-INIZCTEOSA-N 2 0 336.277 3.491 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CC2CCC3(CC3)CC2)cc1 ZINC001135336671 1377044889 /nfs/dbraw/zinc/04/48/89/1377044889.db2.gz GSFUPUYZRUGUGI-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP Fc1cccc(CN(C2CC[NH+](CC3CC3)CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246938135 1377055774 /nfs/dbraw/zinc/05/57/74/1377055774.db2.gz RFBQVTYZWIWTST-NRFANRHFSA-N 2 0 345.506 3.254 20 0 EGADRP Fc1cccc(CN([C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246938755 1377055995 /nfs/dbraw/zinc/05/59/95/1377055995.db2.gz TWGUZZOVNLKZTJ-NJDAHSKKSA-N 3 0 345.506 3.302 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372526 1377059551 /nfs/dbraw/zinc/05/95/51/1377059551.db2.gz RAJSNRFLKBCHRE-DLBZAZTESA-N 2 0 333.520 3.135 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1cc2ccccc2s1)NC(=O)CC[NH+](C)C ZINC001135372829 1377060161 /nfs/dbraw/zinc/06/01/61/1377060161.db2.gz TUARGYKLUIOZBE-GJZGRUSLSA-N 2 0 347.528 3.226 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1)NC(=O)CC[NH+](C)C ZINC001135376916 1377062090 /nfs/dbraw/zinc/06/20/90/1377062090.db2.gz ZSVDXDDQCOEJRK-IAGOWNOFSA-N 2 0 341.499 3.164 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001135437480 1377098026 /nfs/dbraw/zinc/09/80/26/1377098026.db2.gz VPAGJDKNZKOMBD-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001253760441 1377100017 /nfs/dbraw/zinc/10/00/17/1377100017.db2.gz HAOCNXDHSPWTRA-GDAAHCPNSA-N 2 0 336.545 3.297 20 0 EGADRP CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001253760444 1377100049 /nfs/dbraw/zinc/10/00/49/1377100049.db2.gz HAOCNXDHSPWTRA-WZGPROSRSA-N 2 0 336.545 3.297 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)[C@@H]1CCC[NH+](C)CC1 ZINC001254527988 1377106858 /nfs/dbraw/zinc/10/68/58/1377106858.db2.gz AJQSONYOYFBGMC-TYPHKJRUSA-N 2 0 329.532 3.313 20 0 EGADRP C[C@H](C[NH3+])C[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254791990 1377108985 /nfs/dbraw/zinc/10/89/85/1377108985.db2.gz VTKQUBPKRZYZBD-OAHLLOKOSA-N 2 0 339.524 3.131 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCc1ccccc1 ZINC001135475659 1377110181 /nfs/dbraw/zinc/11/01/81/1377110181.db2.gz DNWOWHSBIDOPQN-MSOLQXFVSA-N 2 0 347.547 3.080 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001135688622 1377184468 /nfs/dbraw/zinc/18/44/68/1377184468.db2.gz YPGJURWPHMEWJO-GOSISDBHSA-N 2 0 345.531 3.309 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135690528 1377184955 /nfs/dbraw/zinc/18/49/55/1377184955.db2.gz IKYUANUDOLVSDK-QZTJIDSGSA-N 2 0 327.557 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135705332 1377190259 /nfs/dbraw/zinc/19/02/59/1377190259.db2.gz AISOPHVNCNTEMA-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135742893 1377198922 /nfs/dbraw/zinc/19/89/22/1377198922.db2.gz AQIVSECFXHHQFU-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135743228 1377199235 /nfs/dbraw/zinc/19/92/35/1377199235.db2.gz HELGDBKBHACOFM-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001266190013 1377221105 /nfs/dbraw/zinc/22/11/05/1377221105.db2.gz NYMCNAXFNPHSHE-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001266195648 1377222575 /nfs/dbraw/zinc/22/25/75/1377222575.db2.gz XSHDUGVREJXDMN-BEFAXECRSA-N 2 0 349.494 3.150 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC1 ZINC001135906512 1377258262 /nfs/dbraw/zinc/25/82/62/1377258262.db2.gz CYAFTTXSGBMAAT-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944525 1377272351 /nfs/dbraw/zinc/27/23/51/1377272351.db2.gz LADHUAQEIAPYRB-LSDHHAIUSA-N 2 0 334.508 3.070 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961945 1377278559 /nfs/dbraw/zinc/27/85/59/1377278559.db2.gz ZEKDSFKQWVZYQM-ROUUACIJSA-N 2 0 333.520 3.100 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CCCC[NH+](C)C ZINC001135974492 1377283492 /nfs/dbraw/zinc/28/34/92/1377283492.db2.gz QEAKAWOESTYKLQ-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CCCC[NH+](C)C ZINC001135976692 1377284502 /nfs/dbraw/zinc/28/45/02/1377284502.db2.gz LTYLJGNJSJLBOT-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135980297 1377285942 /nfs/dbraw/zinc/28/59/42/1377285942.db2.gz NGRMFVFWABEAHK-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135995151 1377291807 /nfs/dbraw/zinc/29/18/07/1377291807.db2.gz AAEPVMZJXMVFEN-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266639761 1377355856 /nfs/dbraw/zinc/35/58/56/1377355856.db2.gz GZVYZIIIFCEDNT-FHWLQOOXSA-N 2 0 337.552 3.170 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001136536106 1377403448 /nfs/dbraw/zinc/40/34/48/1377403448.db2.gz RHWMKNSZFQLUHY-PMACEKPBSA-N 2 0 345.531 3.230 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001269291260 1377548120 /nfs/dbraw/zinc/54/81/20/1377548120.db2.gz HRSRNGJEQYYKRS-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP COc1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1OC ZINC001138746681 1377779343 /nfs/dbraw/zinc/77/93/43/1377779343.db2.gz LAHNZUGXNURXDF-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)c1OC ZINC001139119813 1377833194 /nfs/dbraw/zinc/83/31/94/1377833194.db2.gz BFQQJVFIYYTEGL-UHFFFAOYSA-N 2 0 338.879 3.275 20 0 EGADRP CC[N@H+](CCn1ccnc1)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139369232 1377875827 /nfs/dbraw/zinc/87/58/27/1377875827.db2.gz RDRXRMQHDAZFET-UHFFFAOYSA-N 2 0 349.891 3.365 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccncc3O)C[C@@H]21 ZINC001140277520 1378038798 /nfs/dbraw/zinc/03/87/98/1378038798.db2.gz CGLMXEBWRLYIAE-ZJOUEHCJSA-N 2 0 337.467 3.398 20 0 EGADRP COc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(C)c1 ZINC001140674866 1378111679 /nfs/dbraw/zinc/11/16/79/1378111679.db2.gz AWDUBIMLALYRCQ-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c(C)c1 ZINC001274643208 1378131408 /nfs/dbraw/zinc/13/14/08/1378131408.db2.gz IJSUWBGLHHCTMB-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275166285 1378137136 /nfs/dbraw/zinc/13/71/36/1378137136.db2.gz RAQIEJCYZHENRG-HNNXBMFYSA-N 2 0 330.398 3.040 20 0 EGADRP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275166286 1378137198 /nfs/dbraw/zinc/13/71/98/1378137198.db2.gz RAQIEJCYZHENRG-OAHLLOKOSA-N 2 0 330.398 3.040 20 0 EGADRP COc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(OC)cc1C ZINC001275581673 1378144661 /nfs/dbraw/zinc/14/46/61/1378144661.db2.gz AMDWEGJUQJDMMI-UHFFFAOYSA-N 2 0 332.488 3.320 20 0 EGADRP CS[C@@H](C)CC[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276470685 1378174565 /nfs/dbraw/zinc/17/45/65/1378174565.db2.gz PTIREUNJZPCQLZ-INIZCTEOSA-N 2 0 336.549 3.229 20 0 EGADRP C[NH2+][C@@]12CC[C@@]([NH2+]CC3(c4ccccc4)CCOCC3)(C1)CCC2 ZINC001276493757 1378175922 /nfs/dbraw/zinc/17/59/22/1378175922.db2.gz NCODCJLIYOYKHH-LEWJYISDSA-N 2 0 328.500 3.389 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC001140971393 1378196433 /nfs/dbraw/zinc/19/64/33/1378196433.db2.gz UBPJWCLQVUYXIU-UHFFFAOYSA-N 2 0 339.458 3.136 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001280546081 1378354168 /nfs/dbraw/zinc/35/41/68/1378354168.db2.gz VROHVKWBLWQIOQ-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CCCCC1 ZINC001143140729 1378546086 /nfs/dbraw/zinc/54/60/86/1378546086.db2.gz VADPYTDBWBUBDM-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001144005516 1378669783 /nfs/dbraw/zinc/66/97/83/1378669783.db2.gz VYEOPDAXVROMJL-INIZCTEOSA-N 2 0 344.377 3.121 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001144003396 1378669971 /nfs/dbraw/zinc/66/99/71/1378669971.db2.gz QSDQJRFVIIIYTG-UHFFFAOYSA-N 2 0 346.393 3.367 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc2cc[nH]c2n1 ZINC001144186544 1378695072 /nfs/dbraw/zinc/69/50/72/1378695072.db2.gz YJOLDCJGPFUJKF-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001146341560 1378821832 /nfs/dbraw/zinc/82/18/32/1378821832.db2.gz ZHANGEGCTDHNMT-ROUUACIJSA-N 2 0 345.531 3.108 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC001146392387 1378833146 /nfs/dbraw/zinc/83/31/46/1378833146.db2.gz SKDUGADDYSYZJC-IBGZPJMESA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001146532540 1378861465 /nfs/dbraw/zinc/86/14/65/1378861465.db2.gz BJVNDAXXZFXOIS-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]CC1CCCCC1 ZINC001146537207 1378863546 /nfs/dbraw/zinc/86/35/46/1378863546.db2.gz XGDVHMSKPIJENN-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583108 1378870786 /nfs/dbraw/zinc/87/07/86/1378870786.db2.gz JISWMIWGSQSNAV-IAGOWNOFSA-N 2 0 333.520 3.281 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146582234 1378871060 /nfs/dbraw/zinc/87/10/60/1378871060.db2.gz FQSWWFTXQLYVHG-SJORKVTESA-N 2 0 333.520 3.281 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001146590868 1378872891 /nfs/dbraw/zinc/87/28/91/1378872891.db2.gz CNILUNFEIGXFRW-LZZACLKFSA-N 2 0 345.531 3.303 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001146611644 1378877640 /nfs/dbraw/zinc/87/76/40/1378877640.db2.gz NFCNEXIUCTVDQB-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146611578 1378877857 /nfs/dbraw/zinc/87/78/57/1378877857.db2.gz MOIYUYQENDLFKC-LXORQPIJSA-N 2 0 337.552 3.482 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001147359548 1379008933 /nfs/dbraw/zinc/00/89/33/1379008933.db2.gz RJMYVSOFHKDPKL-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147835511 1379088095 /nfs/dbraw/zinc/08/80/95/1379088095.db2.gz TUKCYQLCACPWPW-MJGOQNOKSA-N 2 0 345.531 3.136 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001148154011 1379126053 /nfs/dbraw/zinc/12/60/53/1379126053.db2.gz YIDQCUZWCQNEJW-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP C[N@H+](CC(=O)N1CC2(C1)CC[NH+](CCC1CCCC1)C2)CC(C)(C)C ZINC001148315896 1379150611 /nfs/dbraw/zinc/15/06/11/1379150611.db2.gz ZSIYNDSORUBTHR-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385837 1379161216 /nfs/dbraw/zinc/16/12/16/1379161216.db2.gz RHTZADAIBWOTQH-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477544 1379182780 /nfs/dbraw/zinc/18/27/80/1379182780.db2.gz XAOFCDGIGXTHRR-JBVUFVISSA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148652174 1379234174 /nfs/dbraw/zinc/23/41/74/1379234174.db2.gz YGETXGYULPGZCI-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827923 1379278135 /nfs/dbraw/zinc/27/81/35/1379278135.db2.gz RORCYKXROSHOBF-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900297 1379294516 /nfs/dbraw/zinc/29/45/16/1379294516.db2.gz YSTGCCFETWMOBM-ONEGZZNKSA-N 2 0 347.547 3.143 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754326289 1440580662 /nfs/dbraw/zinc/58/06/62/1440580662.db2.gz HAKQHUHMSOOVEI-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001151361476 1379704870 /nfs/dbraw/zinc/70/48/70/1379704870.db2.gz IDORFKLLFPZZKJ-LJQANCHMSA-N 2 0 345.531 3.336 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001152458378 1379937051 /nfs/dbraw/zinc/93/70/51/1379937051.db2.gz OLUPCFWFCQWTLQ-PXNSSMCTSA-N 2 0 345.531 3.451 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001152464445 1379938666 /nfs/dbraw/zinc/93/86/66/1379938666.db2.gz MIZKYLJQXGKEHJ-QUCCMNQESA-N 2 0 345.531 3.191 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC001152474024 1379939856 /nfs/dbraw/zinc/93/98/56/1379939856.db2.gz YLOUBRBOJJNJKY-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001152470465 1379939983 /nfs/dbraw/zinc/93/99/83/1379939983.db2.gz BJLSRNBKPIGHCQ-VQTJNVASSA-N 2 0 345.531 3.354 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368749 1380065605 /nfs/dbraw/zinc/06/56/05/1380065605.db2.gz WYPOXLAMDLKKKI-CNZFZVQHSA-N 2 0 337.552 3.434 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1ccnc1CC ZINC001153446091 1380078065 /nfs/dbraw/zinc/07/80/65/1380078065.db2.gz OOMUXABXUDXEFY-DLBZAZTESA-N 2 0 336.524 3.413 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501695 1380085774 /nfs/dbraw/zinc/08/57/74/1380085774.db2.gz RDWDCJRXSLQDQP-RXGQBHOASA-N 2 0 337.552 3.290 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814829 1380135491 /nfs/dbraw/zinc/13/54/91/1380135491.db2.gz ZTXZGLZLNXYYJX-MJGOQNOKSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818857 1380136191 /nfs/dbraw/zinc/13/61/91/1380136191.db2.gz CYYBRRIUNBONFG-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC2(CC2)CC1)[NH+](C)C ZINC001154001248 1380175014 /nfs/dbraw/zinc/17/50/14/1380175014.db2.gz QHYXOYIUQRXRBC-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123394 1380213235 /nfs/dbraw/zinc/21/32/35/1380213235.db2.gz XZGLFOLCAVSURS-UYAOXDASSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154179084 1380222043 /nfs/dbraw/zinc/22/20/43/1380222043.db2.gz UWZSFEDJIINLHH-MRXNPFEDSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001328048359 1388653368 /nfs/dbraw/zinc/65/33/68/1388653368.db2.gz GUBHRWLTNJAXPT-QGZVFWFLSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844621 1380363569 /nfs/dbraw/zinc/36/35/69/1380363569.db2.gz QHRNPIFIBVGGDQ-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898631 1380374484 /nfs/dbraw/zinc/37/44/84/1380374484.db2.gz QANTYJHTAFGXDW-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155225831 1380426469 /nfs/dbraw/zinc/42/64/69/1380426469.db2.gz AFDBYUUYTCLROO-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227167 1380426631 /nfs/dbraw/zinc/42/66/31/1380426631.db2.gz XAJJXUNQJXVYIH-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCC[C@H]2C)c1 ZINC001155227283 1380426693 /nfs/dbraw/zinc/42/66/93/1380426693.db2.gz XMHLSLQEJYOKNB-QZTJIDSGSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226666 1380426800 /nfs/dbraw/zinc/42/68/00/1380426800.db2.gz MNKKGKCUDIGMIY-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621092 1380474888 /nfs/dbraw/zinc/47/48/88/1380474888.db2.gz MZSKRKXOTHFLOZ-HKVOBHHDSA-N 2 0 337.552 3.432 20 0 EGADRP CC(C)N(CCC[NH3+])c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001156117783 1380527256 /nfs/dbraw/zinc/52/72/56/1380527256.db2.gz AXDFPFNQCZTVDA-UHFFFAOYSA-N 2 0 338.499 3.204 20 0 EGADRP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194508 1380539854 /nfs/dbraw/zinc/53/98/54/1380539854.db2.gz PVCJQZDXUQJYAS-GOSISDBHSA-N 2 0 347.547 3.478 20 0 EGADRP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200443 1380540689 /nfs/dbraw/zinc/54/06/89/1380540689.db2.gz MBPKWBVGUDMNCI-GOSISDBHSA-N 2 0 347.547 3.478 20 0 EGADRP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200460 1380540877 /nfs/dbraw/zinc/54/08/77/1380540877.db2.gz MVDWSLFEWJSRLW-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@H+](CC)CC[C@H](C)F ZINC001156319194 1380557940 /nfs/dbraw/zinc/55/79/40/1380557940.db2.gz PUGQJGXLHOIBSX-ZWKOTPCHSA-N 2 0 345.547 3.463 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428513 1380574869 /nfs/dbraw/zinc/57/48/69/1380574869.db2.gz OVQOOTWQOJHLEX-OAHLLOKOSA-N 2 0 334.508 3.024 20 0 EGADRP COc1cccc(F)c1CNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001156750433 1380626597 /nfs/dbraw/zinc/62/65/97/1380626597.db2.gz WICOXSWBMMBRTK-UHFFFAOYSA-N 2 0 345.418 3.314 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C(C)(C)CC([NH3+])CC3(C)C)c2)CC1 ZINC001156774802 1380633053 /nfs/dbraw/zinc/63/30/53/1380633053.db2.gz DBGHZYDTDHOFJD-UHFFFAOYSA-N 3 0 346.519 3.039 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC001157050242 1380761261 /nfs/dbraw/zinc/76/12/61/1380761261.db2.gz MWJRXYJXJNIQOX-KRWDZBQOSA-N 2 0 334.533 3.089 20 0 EGADRP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092223 1380774148 /nfs/dbraw/zinc/77/41/48/1380774148.db2.gz NRSMHPPPGHBKAP-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(Cl)ccc(Cl)c2n1 ZINC001157102526 1380775923 /nfs/dbraw/zinc/77/59/23/1380775923.db2.gz ZQXRBFGDMMGEJY-UHFFFAOYSA-N 2 0 326.231 3.217 20 0 EGADRP CC[N@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112998 1380779247 /nfs/dbraw/zinc/77/92/47/1380779247.db2.gz FNPCQWZJCTWAQR-NRJHKNTJSA-N 2 0 345.531 3.257 20 0 EGADRP Cc1cnc(-n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)c(C[NH3+])c1 ZINC001157359767 1380853134 /nfs/dbraw/zinc/85/31/34/1380853134.db2.gz ZPYIRNWKMHLXKK-UHFFFAOYSA-N 2 0 338.430 3.399 20 0 EGADRP C[C@@H](CCCC(C)(C)O)Nc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001157897901 1381065336 /nfs/dbraw/zinc/06/53/36/1381065336.db2.gz SFLWGNCLCNGIKL-HNNXBMFYSA-N 2 0 335.492 3.296 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001158029119 1381107046 /nfs/dbraw/zinc/10/70/46/1381107046.db2.gz FPRBLDMMWZQVTF-QZTJIDSGSA-N 2 0 343.531 3.025 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001158290131 1381186662 /nfs/dbraw/zinc/18/66/62/1381186662.db2.gz YSFKGDICWYBUNT-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC2)CCCCC1 ZINC001158289587 1381186671 /nfs/dbraw/zinc/18/66/71/1381186671.db2.gz IOCLVTGRQCUCAH-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001158312244 1381195943 /nfs/dbraw/zinc/19/59/43/1381195943.db2.gz BJTXHHSQYSMELX-GOSISDBHSA-N 2 0 335.455 3.426 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437844 1381246569 /nfs/dbraw/zinc/24/65/69/1381246569.db2.gz GLNLOIJBXUOHQI-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158491078 1381265960 /nfs/dbraw/zinc/26/59/60/1381265960.db2.gz IBYWLXJXWWIDHO-MSOLQXFVSA-N 2 0 325.541 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001158704088 1381358399 /nfs/dbraw/zinc/35/83/99/1381358399.db2.gz BALBZRFQVWEBSD-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4cnc(Cl)cc4C3)c2)CC1 ZINC001158757140 1381384736 /nfs/dbraw/zinc/38/47/36/1381384736.db2.gz LMULBIPFSZUXCZ-UHFFFAOYSA-N 2 0 344.846 3.123 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccccc1 ZINC001158773328 1381393638 /nfs/dbraw/zinc/39/36/38/1381393638.db2.gz FPMXRDXFIJLKTG-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909097 1381458697 /nfs/dbraw/zinc/45/86/97/1381458697.db2.gz IAMIECDVSLNLSE-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949573 1381481505 /nfs/dbraw/zinc/48/15/05/1381481505.db2.gz QGOZVXUETAOYDP-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(Cl)c1 ZINC001328356731 1388729135 /nfs/dbraw/zinc/72/91/35/1388729135.db2.gz YFTFOYRZGJWVDR-UHFFFAOYSA-N 2 0 326.787 3.410 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159155578 1381675365 /nfs/dbraw/zinc/67/53/65/1381675365.db2.gz QHBHQNBDVXYGJT-VOTSOKGWSA-N 2 0 337.533 3.266 20 0 EGADRP CC(C)(C)[NH2+]Cc1ccc(Nc2cccnc2N2CC[NH2+]CC2)cc1 ZINC001159186183 1381723832 /nfs/dbraw/zinc/72/38/32/1381723832.db2.gz BLMWXRFEKYOWOC-UHFFFAOYSA-N 2 0 339.487 3.123 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001328413404 1388740394 /nfs/dbraw/zinc/74/03/94/1388740394.db2.gz NGWSUALKKXNOFC-DLBZAZTESA-N 2 0 333.520 3.210 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001159335176 1381767932 /nfs/dbraw/zinc/76/79/32/1381767932.db2.gz UHKUKUXVQHOINJ-WOJBJXKFSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001159335028 1381767954 /nfs/dbraw/zinc/76/79/54/1381767954.db2.gz PCIZGUGXFHSSRX-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001159335175 1381768192 /nfs/dbraw/zinc/76/81/92/1381768192.db2.gz UHKUKUXVQHOINJ-VQTJNVASSA-N 2 0 343.515 3.034 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])NC(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001159787691 1381899664 /nfs/dbraw/zinc/89/96/64/1381899664.db2.gz BGELOBMRWARPHC-LBPRGKRZSA-N 2 0 346.834 3.126 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC001159786696 1381900363 /nfs/dbraw/zinc/90/03/63/1381900363.db2.gz HOJYKUZRVLSPQS-INIZCTEOSA-N 2 0 341.846 3.386 20 0 EGADRP CC[NH+](CC)CC(C)(C)COC(=O)c1ccc(NC2=CC[NH2+]C2)cc1 ZINC001159807214 1381907781 /nfs/dbraw/zinc/90/77/81/1381907781.db2.gz CBXWBOOHSQIERZ-UHFFFAOYSA-N 2 0 345.487 3.110 20 0 EGADRP c1ccc(C[N@@H+]2CCC=C(Nc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001159856161 1381920997 /nfs/dbraw/zinc/92/09/97/1381920997.db2.gz NCWXRVZWNHHTCJ-UHFFFAOYSA-N 2 0 348.494 3.298 20 0 EGADRP Clc1cc(Nc2ccc3[nH+]ccn3c2)ccc1N1CC[NH2+]CC1 ZINC001159859196 1381922018 /nfs/dbraw/zinc/92/20/18/1381922018.db2.gz QOKDHQSEHLUHEZ-UHFFFAOYSA-N 2 0 327.819 3.141 20 0 EGADRP Cc1cc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC001159910310 1381934299 /nfs/dbraw/zinc/93/42/99/1381934299.db2.gz PYJRXQZAROODPR-GOSISDBHSA-N 2 0 349.544 3.059 20 0 EGADRP Cc1[nH]c2ccc(Nc3cc(F)ccc3N3CC[NH2+]CC3)cc2[nH+]1 ZINC001160045796 1381979106 /nfs/dbraw/zinc/97/91/06/1381979106.db2.gz MNYMJBIGFIJJTD-UHFFFAOYSA-N 2 0 325.391 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160121325 1382004094 /nfs/dbraw/zinc/00/40/94/1382004094.db2.gz WWXIZFNSAFNBPZ-LYBXBRPPSA-N 2 0 347.547 3.044 20 0 EGADRP Fc1cccc(OC2CC[NH2+]CC2)c1Nc1ccc2c(c1)C[NH2+]C2 ZINC001160151986 1382017457 /nfs/dbraw/zinc/01/74/57/1382017457.db2.gz FYKJKVJEMNBHOM-UHFFFAOYSA-N 2 0 327.403 3.303 20 0 EGADRP C[NH+]1CCC(COc2ccccc2NC=CC2CC[NH2+]CC2)CC1 ZINC001160171229 1382023894 /nfs/dbraw/zinc/02/38/94/1382023894.db2.gz CWBYHKVZYCNPRI-MDWZMJQESA-N 2 0 329.488 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160286175 1382062384 /nfs/dbraw/zinc/06/23/84/1382062384.db2.gz OLEWYSHXDRTAII-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353049 1382081449 /nfs/dbraw/zinc/08/14/49/1382081449.db2.gz OKSKHHLVPLYPSU-AZUAARDMSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001160479428 1382119122 /nfs/dbraw/zinc/11/91/22/1382119122.db2.gz VEEVWPKMFKOFQR-FXAWDEMLSA-N 2 0 343.515 3.226 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160682817 1382169521 /nfs/dbraw/zinc/16/95/21/1382169521.db2.gz IFOGTGJDUDNJRI-UHFFFAOYSA-N 2 0 338.455 3.053 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788045 1382196447 /nfs/dbraw/zinc/19/64/47/1382196447.db2.gz WRNFKJVOHGUTNK-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804199 1382201414 /nfs/dbraw/zinc/20/14/14/1382201414.db2.gz FCCXJOOWXTYIBV-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001160834198 1382213026 /nfs/dbraw/zinc/21/30/26/1382213026.db2.gz FKQSUXCTJRGOFN-GOSISDBHSA-N 2 0 343.515 3.028 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)C1 ZINC001292812130 1382215850 /nfs/dbraw/zinc/21/58/50/1382215850.db2.gz WEDZFDQBCWBGQU-HXUWFJFHSA-N 2 0 345.531 3.007 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160868260 1382220038 /nfs/dbraw/zinc/22/00/38/1382220038.db2.gz LEXCJIOOTOXPBT-VQTJNVASSA-N 2 0 349.563 3.460 20 0 EGADRP Cc1[nH+]c(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)cc2[nH]ccc21 ZINC001161125067 1382309013 /nfs/dbraw/zinc/30/90/13/1382309013.db2.gz PDITXASPWYOFQA-UHFFFAOYSA-N 2 0 328.460 3.363 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)C1 ZINC001161213575 1382343575 /nfs/dbraw/zinc/34/35/75/1382343575.db2.gz KZHVMHHLEUPMMO-GOSISDBHSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383369 1382391777 /nfs/dbraw/zinc/39/17/77/1382391777.db2.gz UXKSGIKEDIHCII-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001161644944 1382468320 /nfs/dbraw/zinc/46/83/20/1382468320.db2.gz VRZWGFVQVHVPGZ-ICSRJNTNSA-N 2 0 345.531 3.272 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705494 1382485679 /nfs/dbraw/zinc/48/56/79/1382485679.db2.gz UJNZRNLXFFQOSL-WOJBJXKFSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CCCC2CCCC2)CC1 ZINC001161754823 1382496148 /nfs/dbraw/zinc/49/61/48/1382496148.db2.gz CEWYHODQNQJSHV-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001161873146 1382536134 /nfs/dbraw/zinc/53/61/34/1382536134.db2.gz TXRBUPPGCALIIQ-MRXNPFEDSA-N 2 0 336.439 3.113 20 0 EGADRP CC1CCC(C[N@H+]2CC=C(CCNC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001161879482 1382537945 /nfs/dbraw/zinc/53/79/45/1382537945.db2.gz NIBMFOAYSFSMNK-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930593 1382557997 /nfs/dbraw/zinc/55/79/97/1382557997.db2.gz CLGVUXWSYCDUCM-GOSISDBHSA-N 2 0 335.536 3.047 20 0 EGADRP Cc1nc(-c2ccccc2)nc(Cl)c1NCCC[NH2+]CCCC[NH3+] ZINC001162294376 1382724008 /nfs/dbraw/zinc/72/40/08/1382724008.db2.gz HJSXIZODFHIKMG-UHFFFAOYSA-N 2 0 347.894 3.236 20 0 EGADRP F[C@H]1C[NH2+]CC[C@H]1CNc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001162805035 1382878343 /nfs/dbraw/zinc/87/83/43/1382878343.db2.gz GCMWMJAIOZBCKQ-WMZOPIPTSA-N 2 0 338.430 3.444 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@H]([NH3+])Cc4ccccc43)c2cc1OC ZINC001162851213 1382894851 /nfs/dbraw/zinc/89/48/51/1382894851.db2.gz ZMUUMNBAOHDECN-CQSZACIVSA-N 2 0 335.407 3.274 20 0 EGADRP Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)n1 ZINC001162904312 1382911020 /nfs/dbraw/zinc/91/10/20/1382911020.db2.gz VNXQBJXVIGUWTH-SUMWQHHRSA-N 2 0 335.455 3.216 20 0 EGADRP CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162935005 1382920634 /nfs/dbraw/zinc/92/06/34/1382920634.db2.gz OSBQEXTWDSAVOH-FQEVSTJZSA-N 2 0 347.547 3.178 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC[NH2+]CC(C)C)CCc1ccccc1 ZINC001162987797 1382939163 /nfs/dbraw/zinc/93/91/63/1382939163.db2.gz XZADUUYOOBEOAY-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP CCCC(C[NH3+])(CCC)Nc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001163040017 1382953829 /nfs/dbraw/zinc/95/38/29/1382953829.db2.gz DXSHRSGYHJEKRC-UHFFFAOYSA-N 2 0 334.508 3.170 20 0 EGADRP c1cc2n(c1)C[C@H](CCNc1cc(N3CCCCC3)cc[nH+]1)C[NH2+]C2 ZINC001163056580 1382956848 /nfs/dbraw/zinc/95/68/48/1382956848.db2.gz SPZDOGHFCSMEKH-QGZVFWFLSA-N 2 0 339.487 3.095 20 0 EGADRP c1cc2n(c1)C[C@@H](CCNc1ccc([C@@H]3CCC[NH2+]C3)cc1)C[NH2+]C2 ZINC001163065326 1382959643 /nfs/dbraw/zinc/95/96/43/1382959643.db2.gz MDFJIGGLPRXGCY-PKOBYXMFSA-N 2 0 338.499 3.177 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C)c2cccc(Cl)c2n1 ZINC001163128601 1382972311 /nfs/dbraw/zinc/97/23/11/1382972311.db2.gz MUOGFWYDOSVAAM-UHFFFAOYSA-N 2 0 333.867 3.475 20 0 EGADRP CCN(C)c1cc(C)[nH+]c(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC001163311409 1383018207 /nfs/dbraw/zinc/01/82/07/1383018207.db2.gz DGQUBNRCKISLMY-KRWDZBQOSA-N 2 0 343.519 3.474 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C)cc2C)C1 ZINC001164456657 1383188738 /nfs/dbraw/zinc/18/87/38/1383188738.db2.gz WNEHIYBHMDDYRQ-FQEVSTJZSA-N 2 0 345.531 3.021 20 0 EGADRP O=C(NCCC[NH2+]CCCCCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500974 1383193984 /nfs/dbraw/zinc/19/39/84/1383193984.db2.gz MNNCIKIOMKQCBF-SFHVURJKSA-N 2 0 341.515 3.019 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001164577917 1383201422 /nfs/dbraw/zinc/20/14/22/1383201422.db2.gz WYXOOZWHMKJINV-VDZJLULYSA-N 2 0 349.494 3.103 20 0 EGADRP C[N@H+](Cc1ccc(N2CC3(CC[NH2+]CC3)c3ccccc32)nc1)C1CC1 ZINC001165144155 1383236757 /nfs/dbraw/zinc/23/67/57/1383236757.db2.gz GUEDKBMOTQAYSU-UHFFFAOYSA-N 2 0 348.494 3.449 20 0 EGADRP c1ccc(O[C@H]2CC[NH2+]C2)c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001165213599 1383249678 /nfs/dbraw/zinc/24/96/78/1383249678.db2.gz AVPUUSVXDVAZTE-MSOLQXFVSA-N 2 0 327.472 3.371 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001328750276 1388841561 /nfs/dbraw/zinc/84/15/61/1388841561.db2.gz RADMZOUIFWSHKV-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001165245722 1383257220 /nfs/dbraw/zinc/25/72/20/1383257220.db2.gz CYWXYEUDFNKHMJ-IAGOWNOFSA-N 2 0 349.519 3.267 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165334093 1383275923 /nfs/dbraw/zinc/27/59/23/1383275923.db2.gz VAXJVTFCVUDJTI-DUMMIQTOSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1)[NH+](C)C ZINC001166010611 1383377251 /nfs/dbraw/zinc/37/72/51/1383377251.db2.gz PYBUENVFKOCVLX-HXUWFJFHSA-N 2 0 341.499 3.022 20 0 EGADRP CCc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001328766143 1388851469 /nfs/dbraw/zinc/85/14/69/1388851469.db2.gz UAEPKZGHDTVQPS-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189420 1383400101 /nfs/dbraw/zinc/40/01/01/1383400101.db2.gz IJHQDHPDCJKXHZ-ONEGZZNKSA-N 2 0 340.471 3.180 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391626 1383418388 /nfs/dbraw/zinc/41/83/88/1383418388.db2.gz WXVGXPNPEJQGNM-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)[NH+](CC)CC ZINC001166440130 1383422607 /nfs/dbraw/zinc/42/26/07/1383422607.db2.gz OLRDUMRLFGZDDR-DAWZGUTISA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)[NH+](CC)CC ZINC001166440129 1383422647 /nfs/dbraw/zinc/42/26/47/1383422647.db2.gz OLRDUMRLFGZDDR-ABHNRTSZSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1)[NH+](CC)CC ZINC001166440342 1383422672 /nfs/dbraw/zinc/42/26/72/1383422672.db2.gz VZPJKNMNPZRJFU-CVEARBPZSA-N 2 0 347.494 3.028 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F)[NH+](CC)CC ZINC001166447626 1383423662 /nfs/dbraw/zinc/42/36/62/1383423662.db2.gz LXROSPHTYXKONB-RBUKOAKNSA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F)[NH+](CC)CC ZINC001166447627 1383423782 /nfs/dbraw/zinc/42/37/82/1383423782.db2.gz LXROSPHTYXKONB-RTBURBONSA-N 2 0 349.494 3.029 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166545834 1383436733 /nfs/dbraw/zinc/43/67/33/1383436733.db2.gz PYLZETYBPZKTAE-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001167044950 1383526974 /nfs/dbraw/zinc/52/69/74/1383526974.db2.gz OVNDGOGYWYMUPZ-IEBWSBKVSA-N 2 0 345.531 3.210 20 0 EGADRP C[C@@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001167385492 1383618716 /nfs/dbraw/zinc/61/87/16/1383618716.db2.gz GJHRJIAWLZABQR-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385424 1383618886 /nfs/dbraw/zinc/61/88/86/1383618886.db2.gz CJYVTMYFZQNTJY-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385546 1383619207 /nfs/dbraw/zinc/61/92/07/1383619207.db2.gz IJZQQQUXMPWJEO-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385425 1383619266 /nfs/dbraw/zinc/61/92/66/1383619266.db2.gz CJYVTMYFZQNTJY-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)C(C)C ZINC001167466090 1383640453 /nfs/dbraw/zinc/64/04/53/1383640453.db2.gz AIEPILWIWBKHEA-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(F)ccc2C)C1 ZINC001167511926 1383655304 /nfs/dbraw/zinc/65/53/04/1383655304.db2.gz DIKLNUVXOGVMBF-INIZCTEOSA-N 2 0 335.467 3.126 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001167610055 1383689078 /nfs/dbraw/zinc/68/90/78/1383689078.db2.gz QBQYVGWPIQMWFY-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001167619828 1383690280 /nfs/dbraw/zinc/69/02/80/1383690280.db2.gz KYTWEPMSJSKOTE-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1F ZINC001167620995 1383690391 /nfs/dbraw/zinc/69/03/91/1383690391.db2.gz VUCOENGKOOBHGA-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001167620166 1383690610 /nfs/dbraw/zinc/69/06/10/1383690610.db2.gz PCWGDKJUJZNCPU-QUCCMNQESA-N 2 0 345.531 3.498 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001167636322 1383695125 /nfs/dbraw/zinc/69/51/25/1383695125.db2.gz SFYHNZZNXGIJQD-FQEVSTJZSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001167636588 1383695250 /nfs/dbraw/zinc/69/52/50/1383695250.db2.gz VSVTXPLCCJHCGO-VQIMIIECSA-N 2 0 349.494 3.246 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694240 1383712726 /nfs/dbraw/zinc/71/27/26/1383712726.db2.gz HONZXNOEKCSBCN-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167694885 1383713091 /nfs/dbraw/zinc/71/30/91/1383713091.db2.gz ZBGBZRQTVZPVRF-QGZVFWFLSA-N 2 0 349.563 3.031 20 0 EGADRP [NH3+]Cc1nn(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c2ccccc12 ZINC001167697621 1383714395 /nfs/dbraw/zinc/71/43/95/1383714395.db2.gz IDSJWLZRLCBQPV-UHFFFAOYSA-N 2 0 332.451 3.052 20 0 EGADRP CC[NH+](CC)Cc1cccc(-n2nc(C[NH3+])c3ccccc32)c1F ZINC001167701735 1383716179 /nfs/dbraw/zinc/71/61/79/1383716179.db2.gz SYOFXBXSVSLOPW-UHFFFAOYSA-N 2 0 326.419 3.465 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001167824485 1383749546 /nfs/dbraw/zinc/74/95/46/1383749546.db2.gz OQVPAXFRNVLVFD-LJQANCHMSA-N 2 0 344.547 3.100 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001167824985 1383749688 /nfs/dbraw/zinc/74/96/88/1383749688.db2.gz POLHDMRIIHHTDD-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccc(OC)n2)C1 ZINC001167833764 1383753212 /nfs/dbraw/zinc/75/32/12/1383753212.db2.gz DRBQENJRQAHYQG-IAGOWNOFSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc(OC)ccn2)C1 ZINC001167833665 1383753369 /nfs/dbraw/zinc/75/33/69/1383753369.db2.gz CXPNKCWYWCQSLM-SJLPKXTDSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2ncncc2C)C1 ZINC001167833895 1383753423 /nfs/dbraw/zinc/75/34/23/1383753423.db2.gz FLLFQAHLWJTNRK-ROUUACIJSA-N 2 0 334.508 3.139 20 0 EGADRP COCCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167970819 1383782871 /nfs/dbraw/zinc/78/28/71/1383782871.db2.gz NUYWIWIPCSLTQF-SEJPIABJSA-N 2 0 328.500 3.371 20 0 EGADRP FC[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1C(F)(F)F ZINC001167983814 1383787601 /nfs/dbraw/zinc/78/76/01/1383787601.db2.gz IMLSRDNXYXPSSR-WOFIAXNJSA-N 2 0 334.401 3.472 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167995488 1383792133 /nfs/dbraw/zinc/79/21/33/1383792133.db2.gz HIIOKCALRAHXMN-WCRBZPEASA-N 3 0 333.564 3.444 20 0 EGADRP CC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168008729 1383795614 /nfs/dbraw/zinc/79/56/14/1383795614.db2.gz FXBPFPBJOAOOPA-JWWGGVBKSA-N 2 0 343.515 3.029 20 0 EGADRP Cc1nccn1CC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168009172 1383796223 /nfs/dbraw/zinc/79/62/23/1383796223.db2.gz HHOKUGKCPFNHEU-IAGOWNOFSA-N 2 0 326.488 3.223 20 0 EGADRP COC(=O)C1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168048544 1383804614 /nfs/dbraw/zinc/80/46/14/1383804614.db2.gz WZTWFHAOWXKTOO-XEMDLRDOSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@@H]1CC([N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056635 1383806060 /nfs/dbraw/zinc/80/60/60/1383806060.db2.gz HEVYBKKAMWHBGH-HROGELHOSA-N 2 0 341.543 3.454 20 0 EGADRP C[C@H]1C[C@@H]([NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)CCO1 ZINC001168118134 1383821187 /nfs/dbraw/zinc/82/11/87/1383821187.db2.gz OOIGERQIXRBEON-HKUYNNGSSA-N 2 0 343.515 3.326 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CCC3CCCCCC3)CC2)C1 ZINC001168136647 1383824501 /nfs/dbraw/zinc/82/45/01/1383824501.db2.gz JOGDQFBONJNTPX-IBGZPJMESA-N 2 0 349.563 3.175 20 0 EGADRP CC1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001168217497 1383846257 /nfs/dbraw/zinc/84/62/57/1383846257.db2.gz NNBYXWOUQHQKTH-BCKAPOECSA-N 2 0 343.515 3.183 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CCCc2cncc(C(F)(F)F)c2)CC1 ZINC001168290785 1383864370 /nfs/dbraw/zinc/86/43/70/1383864370.db2.gz YFTSPNBUGZVRHS-UHFFFAOYSA-N 2 0 329.410 3.495 20 0 EGADRP Cc1ncc(Br)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304081 1383868137 /nfs/dbraw/zinc/86/81/37/1383868137.db2.gz OIVKHJVNFNGTLJ-UHFFFAOYSA-N 2 0 326.282 3.115 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2(Cc3cccc(F)c3)CCOCC2)CC1 ZINC001168312007 1383870661 /nfs/dbraw/zinc/87/06/61/1383870661.db2.gz HHSVYTIEVWOWFM-UHFFFAOYSA-N 2 0 334.479 3.380 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327227 1383873839 /nfs/dbraw/zinc/87/38/39/1383873839.db2.gz ZWLVSKLDQYDXLM-ZMBJWTFHSA-N 2 0 349.563 3.339 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329183 1383873917 /nfs/dbraw/zinc/87/39/17/1383873917.db2.gz OVVBUXLLGBUTGK-VXLLPVPCSA-N 2 0 339.524 3.237 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327116 1383874356 /nfs/dbraw/zinc/87/43/56/1383874356.db2.gz QTOXJCAXBCNWQX-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168329514 1383874435 /nfs/dbraw/zinc/87/44/35/1383874435.db2.gz WHTAJFXDLIGFJK-LMDPOFIKSA-N 2 0 336.520 3.305 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335255 1383876118 /nfs/dbraw/zinc/87/61/18/1383876118.db2.gz DUDYPBZSLBVYRV-XFHJGTJQSA-N 2 0 335.536 3.093 20 0 EGADRP Brc1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168353668 1383880179 /nfs/dbraw/zinc/88/01/79/1383880179.db2.gz PSOZXXMZCDZPLQ-UHFFFAOYSA-N 2 0 337.305 3.456 20 0 EGADRP c1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc2c1CCC2 ZINC001168405385 1383897098 /nfs/dbraw/zinc/89/70/98/1383897098.db2.gz XTKQNWZHJAAJAQ-UHFFFAOYSA-N 2 0 342.527 3.500 20 0 EGADRP COC1CC[NH+](C2CC[NH+]([C@H]3CCc4cc(F)ccc4C3)CC2)CC1 ZINC001168446531 1383907563 /nfs/dbraw/zinc/90/75/63/1383907563.db2.gz RFQQDAQCKLYIFM-FQEVSTJZSA-N 2 0 346.490 3.258 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001168465178 1383913879 /nfs/dbraw/zinc/91/38/79/1383913879.db2.gz PLZKYRPLLXOOMY-INIZCTEOSA-N 2 0 330.447 3.487 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001168596015 1383944869 /nfs/dbraw/zinc/94/48/69/1383944869.db2.gz QFAZMHLYAPINDB-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c[nH+]c2cc(Br)ccn12 ZINC001168600960 1383945911 /nfs/dbraw/zinc/94/59/11/1383945911.db2.gz KDABJQLPMNITQD-STQMWFEESA-N 2 0 337.265 3.382 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)CCO2)cc1 ZINC001168613661 1383949322 /nfs/dbraw/zinc/94/93/22/1383949322.db2.gz JODIFMXSSCKKCE-MLYOOKFZSA-N 2 0 332.488 3.378 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001168806216 1384013898 /nfs/dbraw/zinc/01/38/98/1384013898.db2.gz KFNIBZWXQSSQDA-CRAIPNDOSA-N 2 0 347.503 3.236 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168810457 1384014765 /nfs/dbraw/zinc/01/47/65/1384014765.db2.gz GSIROLYUHPUEIM-ULQDDVLXSA-N 2 0 341.540 3.484 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001168828516 1384022491 /nfs/dbraw/zinc/02/24/91/1384022491.db2.gz HLGDCQQXWPTIFH-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(N(CC[NH3+])c2cccnc2)c1 ZINC001168839152 1384027729 /nfs/dbraw/zinc/02/77/29/1384027729.db2.gz VICOEIAYDCJSAF-UHFFFAOYSA-N 2 0 349.276 3.003 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001168842573 1384031414 /nfs/dbraw/zinc/03/14/14/1384031414.db2.gz XSBYAOKGUXCKTG-HNNXBMFYSA-N 2 0 335.455 3.254 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]31)C2 ZINC001169090281 1384105236 /nfs/dbraw/zinc/10/52/36/1384105236.db2.gz JFMDVECBTJYIQY-ZOJFBHTKSA-N 2 0 339.527 3.112 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC3(CC(NC(=O)OC(C)(C)C)C3)C1)C2 ZINC001169090228 1384105422 /nfs/dbraw/zinc/10/54/22/1384105422.db2.gz IVBFRBKJRBLCPV-HLMMBEFUSA-N 2 0 349.519 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[C@@H]1CCc3ccc4c(c31)CCO4)C2 ZINC001169100462 1384107523 /nfs/dbraw/zinc/10/75/23/1384107523.db2.gz JJKQLMXZYFQZEE-XLAORIBOSA-N 2 0 326.484 3.256 20 0 EGADRP COC(=O)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124451 1384110360 /nfs/dbraw/zinc/11/03/60/1384110360.db2.gz CTYHTNRPIARVML-REPLKXPHSA-N 2 0 330.472 3.067 20 0 EGADRP COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141269 1384112876 /nfs/dbraw/zinc/11/28/76/1384112876.db2.gz PHGFWMXEQPTZBO-VSZNYVQBSA-N 2 0 330.472 3.164 20 0 EGADRP CC1(C)C[C@H](Nc2ncc(F)c(C3CC[NH2+]CC3)n2)C[C@](C)(C[NH3+])C1 ZINC001169142206 1384113143 /nfs/dbraw/zinc/11/31/43/1384113143.db2.gz LTOMWBLOKUNNMJ-LIRRHRJNSA-N 2 0 349.498 3.038 20 0 EGADRP CC1(C)C[C@H](Nc2ccccc2Cn2cc[nH+]c2N)C[C@@](C)(C[NH3+])C1 ZINC001169154856 1384115922 /nfs/dbraw/zinc/11/59/22/1384115922.db2.gz YYBGOTZQMKWQNY-OXJNMPFZSA-N 2 0 341.503 3.469 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001169191487 1384121259 /nfs/dbraw/zinc/12/12/59/1384121259.db2.gz GPOUWNIIUQWRQW-OAHLLOKOSA-N 2 0 335.455 3.254 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccccc2Cl)C1 ZINC001308368148 1384122328 /nfs/dbraw/zinc/12/23/28/1384122328.db2.gz PXOZAMISHKVNMW-SFHVURJKSA-N 2 0 330.859 3.196 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001308365775 1384122547 /nfs/dbraw/zinc/12/25/47/1384122547.db2.gz GMLZAXFKFIMGJN-JOCHJYFZSA-N 2 0 336.479 3.032 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC001308633774 1384137941 /nfs/dbraw/zinc/13/79/41/1384137941.db2.gz CATZDPFFATYZGV-AZUAARDMSA-N 2 0 329.532 3.361 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001308745032 1384146654 /nfs/dbraw/zinc/14/66/54/1384146654.db2.gz PFSQMDBQKHEAGH-INIZCTEOSA-N 2 0 329.529 3.057 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001308897948 1384157382 /nfs/dbraw/zinc/15/73/82/1384157382.db2.gz QZGTWQCPUQOQSK-QAPCUYQASA-N 2 0 336.439 3.081 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001308897950 1384157524 /nfs/dbraw/zinc/15/75/24/1384157524.db2.gz QZGTWQCPUQOQSK-YJBOKZPZSA-N 2 0 336.439 3.081 20 0 EGADRP C[NH+](C)CCC(C)(C)Nc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001169717476 1384177672 /nfs/dbraw/zinc/17/76/72/1384177672.db2.gz ILQZXSXDSBFCMV-QGZVFWFLSA-N 2 0 343.519 3.493 20 0 EGADRP C[NH+](C)CC[C@H](c1ccc(-n2ccc(C[NH3+])c2)cc1)c1ccccn1 ZINC001169725944 1384178621 /nfs/dbraw/zinc/17/86/21/1384178621.db2.gz OGEXUAGDVJOFJO-HXUWFJFHSA-N 2 0 334.467 3.415 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001169974404 1384208604 /nfs/dbraw/zinc/20/86/04/1384208604.db2.gz DURZAMCAVCSDHY-IYBDPMFKSA-N 2 0 325.541 3.355 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cn(-c3cccc(O)c3)c3ccccc23)CC1 ZINC001170531364 1384336031 /nfs/dbraw/zinc/33/60/31/1384336031.db2.gz NUYCJWKZFLDGCA-UHFFFAOYSA-N 2 0 335.451 3.302 20 0 EGADRP Nc1cccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170527946 1384336265 /nfs/dbraw/zinc/33/62/65/1384336265.db2.gz FPWRXVGCIXJZMT-UHFFFAOYSA-N 2 0 334.467 3.178 20 0 EGADRP COc1ccc(CC2([NH3+])CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170741043 1384376272 /nfs/dbraw/zinc/37/62/72/1384376272.db2.gz XHIGNLJDZXQPKB-GGPHIMKMSA-N 2 0 328.500 3.466 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(CC)CC ZINC001170785975 1384385463 /nfs/dbraw/zinc/38/54/63/1384385463.db2.gz YAKBTEGZHKBUBP-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170816978 1384390736 /nfs/dbraw/zinc/39/07/36/1384390736.db2.gz JFPXUZPZKMDNIB-SJLPKXTDSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCCC[NH2+]CCC1CCCC1)c1ccccc1 ZINC001170830105 1384393765 /nfs/dbraw/zinc/39/37/65/1384393765.db2.gz ULDVVMPMLDSVPX-NRFANRHFSA-N 2 0 345.531 3.140 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170855118 1384399899 /nfs/dbraw/zinc/39/98/99/1384399899.db2.gz WGZCQAGKAZFDKZ-IAGOWNOFSA-N 2 0 337.305 3.380 20 0 EGADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170858191 1384400209 /nfs/dbraw/zinc/40/02/09/1384400209.db2.gz RTKZWLVKXGNLNQ-CQSZACIVSA-N 2 0 325.294 3.412 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2nc(-c3ccc(Cl)cc3)cn2c1 ZINC001170899659 1384407788 /nfs/dbraw/zinc/40/77/88/1384407788.db2.gz DFQXJBZRYMNEDT-INIZCTEOSA-N 2 0 329.835 3.090 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171068830 1384440824 /nfs/dbraw/zinc/44/08/24/1384440824.db2.gz LFFQMILRIFKAOW-DLBZAZTESA-N 2 0 331.520 3.121 20 0 EGADRP NC(=[NH2+])SCCSC(=[NH2+])N[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171104708 1384446325 /nfs/dbraw/zinc/44/63/25/1384446325.db2.gz JGKSHORHXOEBBJ-LBPRGKRZSA-N 2 0 342.921 3.082 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001171160571 1384457477 /nfs/dbraw/zinc/45/74/77/1384457477.db2.gz GXGQIEFWWJTNEC-VQTJNVASSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001316602040 1384469195 /nfs/dbraw/zinc/46/91/95/1384469195.db2.gz GFXQHFGLFKZRQT-ZWKOTPCHSA-N 2 0 339.568 3.179 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237190 1384476538 /nfs/dbraw/zinc/47/65/38/1384476538.db2.gz QAAFHVJDGMDLJP-ROUUACIJSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246926 1384477692 /nfs/dbraw/zinc/47/76/92/1384477692.db2.gz IMIMJEDNOHMDRW-LPHOPBHVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171247707 1384477747 /nfs/dbraw/zinc/47/77/47/1384477747.db2.gz NLTVMIDQMPNYCG-QZTJIDSGSA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1)[NH+](C)C ZINC001171359246 1384501666 /nfs/dbraw/zinc/50/16/66/1384501666.db2.gz OTADFRGXIZAHTG-QUCCMNQESA-N 2 0 347.547 3.080 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001171509737 1384546318 /nfs/dbraw/zinc/54/63/18/1384546318.db2.gz UEVAOOYLIQELGL-SJLPKXTDSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001171509904 1384546546 /nfs/dbraw/zinc/54/65/46/1384546546.db2.gz VPVVMDZQMGIAHB-SJLPKXTDSA-N 2 0 325.541 3.172 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171510106 1384547397 /nfs/dbraw/zinc/54/73/97/1384547397.db2.gz YJPJYDWLQVNFDI-ZWHYWQQASA-N 2 0 325.541 3.338 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171547487 1384559830 /nfs/dbraw/zinc/55/98/30/1384559830.db2.gz SKNZSLWYZYILTC-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171614480 1384580642 /nfs/dbraw/zinc/58/06/42/1384580642.db2.gz YZDQZSGILFZJKH-UHFFFAOYSA-N 2 0 339.524 3.094 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CCOc2ccc3c(c2)OCO3)CC1(C)C ZINC001171623606 1384582885 /nfs/dbraw/zinc/58/28/85/1384582885.db2.gz DHIZMIBXAGVKQB-UHFFFAOYSA-N 2 0 334.460 3.035 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CCC(=O)N2CCc3ccccc32)CC1(C)C ZINC001171623071 1384582903 /nfs/dbraw/zinc/58/29/03/1384582903.db2.gz JLMJMYCVFOSYIM-UHFFFAOYSA-N 2 0 343.515 3.207 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171725943 1384614408 /nfs/dbraw/zinc/61/44/08/1384614408.db2.gz QDXQLWRVJXLSKS-RXVVDRJESA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H]1C[C@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732728 1384618176 /nfs/dbraw/zinc/61/81/76/1384618176.db2.gz DHZGCIVBMDHYFB-LPHOPBHVSA-N 3 0 334.467 3.373 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2Cc3cccc(F)c3C2)cc1 ZINC001171772245 1384631609 /nfs/dbraw/zinc/63/16/09/1384631609.db2.gz BOFRKZLDKUFCIY-KRWDZBQOSA-N 2 0 328.431 3.023 20 0 EGADRP Fc1cccc2c1C[C@H]([NH+]1C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001171804971 1384642765 /nfs/dbraw/zinc/64/27/65/1384642765.db2.gz IVQFJWROXFXERI-SLFFLAALSA-N 2 0 336.454 3.357 20 0 EGADRP C[N@@H+]1CC[C@@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061638 1384715523 /nfs/dbraw/zinc/71/55/23/1384715523.db2.gz ICCWYPANLXDLSY-XSDIEEQYSA-N 2 0 327.516 3.113 20 0 EGADRP CC1([NH3+])CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172066613 1384716706 /nfs/dbraw/zinc/71/67/06/1384716706.db2.gz ATWNBECGZFVYGQ-ACDBMABISA-N 2 0 327.516 3.385 20 0 EGADRP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001172077151 1384720118 /nfs/dbraw/zinc/72/01/18/1384720118.db2.gz BADQCCLHDFQCDL-BQJWPVKWSA-N 2 0 337.508 3.167 20 0 EGADRP CN1CC[C@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722292 /nfs/dbraw/zinc/72/22/92/1384722292.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 0 339.527 3.208 20 0 EGADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090376 1384724260 /nfs/dbraw/zinc/72/42/60/1384724260.db2.gz UYTDNRYKZRWNLG-MNVIUDHYSA-N 2 0 339.527 3.351 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001172103581 1384727292 /nfs/dbraw/zinc/72/72/92/1384727292.db2.gz WAEQVSHSTIQMBX-OWZKRDHZSA-N 2 0 345.506 3.395 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)nc1 ZINC001172112093 1384730014 /nfs/dbraw/zinc/73/00/14/1384730014.db2.gz RMGUNOMJQMJVFF-REPLKXPHSA-N 2 0 343.515 3.043 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001172112440 1384730342 /nfs/dbraw/zinc/73/03/42/1384730342.db2.gz WWSPDSCMKXGGLU-DKUWSORSSA-N 2 0 341.543 3.298 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117525 1384733412 /nfs/dbraw/zinc/73/34/12/1384733412.db2.gz HLIIAQNITWTFNV-OBVSXPTNSA-N 2 0 349.519 3.085 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(Cc4ccccc4O3)CC1)C2 ZINC001172127943 1384735387 /nfs/dbraw/zinc/73/53/87/1384735387.db2.gz MDQDLGLQALXPPG-BWTSREIZSA-N 2 0 326.484 3.471 20 0 EGADRP COc1cccc(N(C2CC[NH2+]CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172129161 1384737854 /nfs/dbraw/zinc/73/78/54/1384737854.db2.gz XFUJEHYFAAAFHR-RUYXUALKSA-N 2 0 343.515 3.269 20 0 EGADRP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172198594 1384746369 /nfs/dbraw/zinc/74/63/69/1384746369.db2.gz QQOKLLMJENRBBQ-SFHVURJKSA-N 2 0 339.508 3.134 20 0 EGADRP c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CS2 ZINC001172204498 1384747464 /nfs/dbraw/zinc/74/74/64/1384747464.db2.gz PQUJWDUOSOYHOM-QGZVFWFLSA-N 2 0 325.481 3.357 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172225097 1384751263 /nfs/dbraw/zinc/75/12/63/1384751263.db2.gz DQMCQJQIRVSSDV-VZHSDHNVSA-N 2 0 328.500 3.444 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001316994990 1384751874 /nfs/dbraw/zinc/75/18/74/1384751874.db2.gz MVQNWDRUHGMRBJ-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172285946 1384760215 /nfs/dbraw/zinc/76/02/15/1384760215.db2.gz WFDQVHFXQVIGDY-IBGZPJMESA-N 2 0 343.515 3.326 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001172325343 1384770154 /nfs/dbraw/zinc/77/01/54/1384770154.db2.gz UNTFGHDYIHGTTD-RBUKOAKNSA-N 2 0 348.531 3.197 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001172326498 1384770400 /nfs/dbraw/zinc/77/04/00/1384770400.db2.gz BIVHTEFCXAFSMW-ROUUACIJSA-N 2 0 340.552 3.308 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172339581 1384774146 /nfs/dbraw/zinc/77/41/46/1384774146.db2.gz PBIAIRNQTVTFSK-OALUTQOASA-N 2 0 340.552 3.405 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001172350402 1384775246 /nfs/dbraw/zinc/77/52/46/1384775246.db2.gz YEJZGKSCCUYUNG-IRXDYDNUSA-N 2 0 326.525 3.155 20 0 EGADRP CC[C@H](C)OCC[C@H](C)N(c1cc(OC)cc[nH+]1)C1CC[NH2+]CC1 ZINC001172363035 1384777898 /nfs/dbraw/zinc/77/78/98/1384777898.db2.gz ZRRINSXEIWVFHV-HOTGVXAUSA-N 2 0 335.492 3.242 20 0 EGADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C[C@H]1C ZINC001172379159 1384781163 /nfs/dbraw/zinc/78/11/63/1384781163.db2.gz QYJRYGCIWUUPKY-HLIPFELVSA-N 2 0 349.563 3.076 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)CCOC(C)C)cc2)CC1 ZINC001172447270 1384794034 /nfs/dbraw/zinc/79/40/34/1384794034.db2.gz HQLLVZZQKRXAID-IBGZPJMESA-N 2 0 347.547 3.117 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172542553 1384810051 /nfs/dbraw/zinc/81/00/51/1384810051.db2.gz GYFMTDIOZFSAAA-IRLDBZIGSA-N 2 0 341.543 3.425 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001317043041 1384816937 /nfs/dbraw/zinc/81/69/37/1384816937.db2.gz NCJAAUKLOBVRGI-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC1(C)CC([N@@H+]2CCc3onc(Cn4ccnc4)c3C2)CC(C)(C)O1 ZINC001172656545 1384827862 /nfs/dbraw/zinc/82/78/62/1384827862.db2.gz NXTLZPRKNKNYBU-UHFFFAOYSA-N 2 0 344.459 3.014 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172663247 1384829444 /nfs/dbraw/zinc/82/94/44/1384829444.db2.gz AVKLVSUWVFUQTF-QUCCMNQESA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172753161 1384843867 /nfs/dbraw/zinc/84/38/67/1384843867.db2.gz RZQOKNKYMOVLEJ-WDSOQIARSA-N 2 0 347.503 3.274 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([N@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001172804012 1384855933 /nfs/dbraw/zinc/85/59/33/1384855933.db2.gz RRXBPUUJUUUWSU-FUHWJXTLSA-N 2 0 336.520 3.447 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172805127 1384855979 /nfs/dbraw/zinc/85/59/79/1384855979.db2.gz VDBWVPSTLJSZBS-CSRJKQTDSA-N 2 0 349.519 3.155 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([N@H+](C)C3CCOCC3)CC1)CC2 ZINC001172840918 1384864109 /nfs/dbraw/zinc/86/41/09/1384864109.db2.gz DAHNYOUTMUIPFN-JOCHJYFZSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)N(CCC[NH3+])CCC[NH+](C)C ZINC001172860028 1384867042 /nfs/dbraw/zinc/86/70/42/1384867042.db2.gz LZZDJHCRKVVPQU-AWEZNQCLSA-N 2 0 329.891 3.013 20 0 EGADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172870051 1384869316 /nfs/dbraw/zinc/86/93/16/1384869316.db2.gz HRKZYNXHHIHTAK-OAHLLOKOSA-N 2 0 341.952 3.048 20 0 EGADRP C[C@@H](CSc1ccc(Cl)cc1)N(CCC[NH3+])CCC[NH+](C)C ZINC001172881379 1384871418 /nfs/dbraw/zinc/87/14/18/1384871418.db2.gz DVWYJHPHAFLKEZ-HNNXBMFYSA-N 2 0 343.968 3.423 20 0 EGADRP CO[C@@H]1CCC[C@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)C1 ZINC001172914355 1384876673 /nfs/dbraw/zinc/87/66/73/1384876673.db2.gz BMKRVPQWWPGPJW-LSDHHAIUSA-N 2 0 326.506 3.122 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001172944053 1384885173 /nfs/dbraw/zinc/88/51/73/1384885173.db2.gz OOSVGXPVSKOROB-MRXNPFEDSA-N 2 0 349.519 3.483 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173054828 1384902440 /nfs/dbraw/zinc/90/24/40/1384902440.db2.gz PGUBAHJPCQQZCL-IAGOWNOFSA-N 2 0 339.524 3.240 20 0 EGADRP CCCOC1CCC([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001173090943 1384912178 /nfs/dbraw/zinc/91/21/78/1384912178.db2.gz KUMLEFSAPHPIJZ-UHFFFAOYSA-N 2 0 345.531 3.266 20 0 EGADRP CCCOC1CCC(n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)CC1 ZINC001173096645 1384913258 /nfs/dbraw/zinc/91/32/58/1384913258.db2.gz ABQSIUBEIZULLX-UHFFFAOYSA-N 2 0 348.535 3.279 20 0 EGADRP CCCOC1CCC([NH+]2CCC([NH+]3CCC(OC)CC3)CC2)CC1 ZINC001173102914 1384914852 /nfs/dbraw/zinc/91/48/52/1384914852.db2.gz UHWIBAVIOLVBHG-UHFFFAOYSA-N 2 0 338.536 3.299 20 0 EGADRP CC[NH+](CC)C1CCC(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173106633 1384915458 /nfs/dbraw/zinc/91/54/58/1384915458.db2.gz DABYPOXCJNGCIU-BIZGZAPZSA-N 2 0 345.535 3.206 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001173106743 1384916349 /nfs/dbraw/zinc/91/63/49/1384916349.db2.gz CIIHGXJJSLTBAT-KLAILNCOSA-N 2 0 341.540 3.390 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC001173107551 1384916474 /nfs/dbraw/zinc/91/64/74/1384916474.db2.gz WTRIMBWGPFXSBF-MNLRITNHSA-N 2 0 345.531 3.134 20 0 EGADRP CC[C@@H]1[N@@H+](C2CCC([NH+](CC)CC)CC2)CCC[C@]12CCC(=O)N2 ZINC001173109872 1384916920 /nfs/dbraw/zinc/91/69/20/1384916920.db2.gz DUUUPSXGUKJBNO-BZWMRVRASA-N 2 0 335.536 3.163 20 0 EGADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC001173118806 1384918907 /nfs/dbraw/zinc/91/89/07/1384918907.db2.gz QBZZXTIDTKMOBD-IYARVYRRSA-N 2 0 349.563 3.458 20 0 EGADRP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173125788 1384919215 /nfs/dbraw/zinc/91/92/15/1384919215.db2.gz HSGCFFPYJZFRGP-OAHLLOKOSA-N 2 0 345.487 3.176 20 0 EGADRP COc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)CO2 ZINC001173163385 1384928344 /nfs/dbraw/zinc/92/83/44/1384928344.db2.gz DHTLMGQLINWHCB-RCCFBDPRSA-N 2 0 344.499 3.338 20 0 EGADRP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCN(C)CC[NH3+] ZINC001173211859 1384937024 /nfs/dbraw/zinc/93/70/24/1384937024.db2.gz SPJLPBOGFOHJNZ-GOSISDBHSA-N 2 0 325.500 3.077 20 0 EGADRP CC[N@@H+]1CC[C@H](N2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)C1 ZINC001173364927 1384964612 /nfs/dbraw/zinc/96/46/12/1384964612.db2.gz ZMBNVLVABOKURD-FIRPJDEBSA-N 2 0 327.516 3.191 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCCC[NH+]2Cc2ccc(OC)cc2)C1 ZINC001173367245 1384965715 /nfs/dbraw/zinc/96/57/15/1384965715.db2.gz FJALPGIGYMDNEG-PMACEKPBSA-N 2 0 345.531 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173410542 1384967901 /nfs/dbraw/zinc/96/79/01/1384967901.db2.gz JXPTWGSOQYBLKR-QGZVFWFLSA-N 2 0 349.906 3.019 20 0 EGADRP COC(=O)CCCC[C@@H](C)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445357 1384972120 /nfs/dbraw/zinc/97/21/20/1384972120.db2.gz YJHDILFWMNRZFO-ZHALLVOQSA-N 2 0 347.503 3.275 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC001173603620 1384986403 /nfs/dbraw/zinc/98/64/03/1384986403.db2.gz GWJJGABTAAGVJE-IPFXWSOASA-N 2 0 348.531 3.495 20 0 EGADRP C[C@@H]([NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1)c1ccccc1 ZINC001317216490 1384996210 /nfs/dbraw/zinc/99/62/10/1384996210.db2.gz ARIGNOSHIJSYCA-IPJUCJBFSA-N 2 0 343.515 3.249 20 0 EGADRP C[C@@H]1CC(n2ccnc2CCC[NH3+])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173680207 1385002866 /nfs/dbraw/zinc/00/28/66/1385002866.db2.gz PXWPOTYFFUBGIH-ZIAGYGMSSA-N 2 0 336.480 3.123 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001173733637 1385011684 /nfs/dbraw/zinc/01/16/84/1385011684.db2.gz DTFQJLKFJWSAGL-KRWDZBQOSA-N 2 0 344.499 3.212 20 0 EGADRP C[C@H](CCCC[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880384 1385164296 /nfs/dbraw/zinc/16/42/96/1385164296.db2.gz DJOFCTKAPNCCCS-SJLPKXTDSA-N 2 0 341.515 3.018 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001174947475 1385172689 /nfs/dbraw/zinc/17/26/89/1385172689.db2.gz BQQVRJXSCUBTFS-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCC[NH+](C)C ZINC001174961786 1385175194 /nfs/dbraw/zinc/17/51/94/1385175194.db2.gz OOOWXEQDLFKJNB-JLAWEPINSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1C1CC1)NC(=O)CC[NH+](C)C ZINC001175047882 1385186118 /nfs/dbraw/zinc/18/61/18/1385186118.db2.gz DDNHSBSDTSLVDB-KRWDZBQOSA-N 2 0 345.531 3.280 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175049343 1385186382 /nfs/dbraw/zinc/18/63/82/1385186382.db2.gz UKBDKHZVCXBELY-MSOLQXFVSA-N 2 0 333.520 3.272 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)CC[NH+](C)C ZINC001175057254 1385187451 /nfs/dbraw/zinc/18/74/51/1385187451.db2.gz YEUZGEVIURYLJH-CVEARBPZSA-N 2 0 337.483 3.103 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001175115660 1385197719 /nfs/dbraw/zinc/19/77/19/1385197719.db2.gz UUBQVQVRMNPDPJ-DOTOQJQBSA-N 2 0 339.549 3.099 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)[NH+](CC)CC ZINC001175218534 1385223571 /nfs/dbraw/zinc/22/35/71/1385223571.db2.gz SPVVAKZCTALDHL-MSOLQXFVSA-N 2 0 327.557 3.418 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255832 1385230757 /nfs/dbraw/zinc/23/07/57/1385230757.db2.gz HKXAUGDWTAQQEN-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C)cc1 ZINC001175257291 1385232083 /nfs/dbraw/zinc/23/20/83/1385232083.db2.gz YJUCUHLWAKJIOW-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262704 1385233187 /nfs/dbraw/zinc/23/31/87/1385233187.db2.gz KDZHSRKYYRBXDF-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263793 1385234859 /nfs/dbraw/zinc/23/48/59/1385234859.db2.gz RINFPEMZFSKPNO-ZWKOTPCHSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317520622 1385239261 /nfs/dbraw/zinc/23/92/61/1385239261.db2.gz PEFDUSXEBSCKMQ-PKOBYXMFSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)CCn1cc(Nc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC001175361852 1385266240 /nfs/dbraw/zinc/26/62/40/1385266240.db2.gz ZILGCNMMBXWJIQ-UHFFFAOYSA-N 2 0 327.476 3.174 20 0 EGADRP CC(C)(C(=O)NCC[N@H+](CC1CCCCC1)C1CC1)[NH+]1CCCCC1 ZINC001317552617 1385314149 /nfs/dbraw/zinc/31/41/49/1385314149.db2.gz LMRYHYTXWDJLOT-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1)C(C)C ZINC001175747852 1385394851 /nfs/dbraw/zinc/39/48/51/1385394851.db2.gz UZIOQEFUGIEVAG-HKUYNNGSSA-N 2 0 339.568 3.418 20 0 EGADRP COc1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1Cl ZINC001175772472 1385400532 /nfs/dbraw/zinc/40/05/32/1385400532.db2.gz IEKRKRQYWNJAMX-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001175786133 1385405844 /nfs/dbraw/zinc/40/58/44/1385405844.db2.gz GVBCXHVQCAVDHN-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185020 1385504827 /nfs/dbraw/zinc/50/48/27/1385504827.db2.gz RRJCEEYYYHSCQX-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192613 1385507864 /nfs/dbraw/zinc/50/78/64/1385507864.db2.gz NRTYLNUFYYVUOX-HOTGVXAUSA-N 2 0 334.508 3.072 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCCC[NH+](C)C ZINC001176231702 1385521384 /nfs/dbraw/zinc/52/13/84/1385521384.db2.gz VTNMOCYKJMPTAK-SFHVURJKSA-N 2 0 337.552 3.483 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc3c(c2)C[N@@H+](C)CC3)cn1 ZINC001176359564 1385563699 /nfs/dbraw/zinc/56/36/99/1385563699.db2.gz JNIADQGGTSIJRS-UHFFFAOYSA-N 2 0 340.471 3.144 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[NH+]1CCCC1 ZINC001176582898 1385631378 /nfs/dbraw/zinc/63/13/78/1385631378.db2.gz JXQGSSXHJYEHRF-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001176591294 1385634672 /nfs/dbraw/zinc/63/46/72/1385634672.db2.gz JLMIBVQFYFTVHW-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001318301292 1385645758 /nfs/dbraw/zinc/64/57/58/1385645758.db2.gz OSWBNYZIINPBQC-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746786 1385680533 /nfs/dbraw/zinc/68/05/33/1385680533.db2.gz MSWAQRDGNXAMOC-KRWDZBQOSA-N 2 0 333.520 3.427 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001176754677 1385685093 /nfs/dbraw/zinc/68/50/93/1385685093.db2.gz XXZKXSPILGZYKP-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176760328 1385686932 /nfs/dbraw/zinc/68/69/32/1385686932.db2.gz UYTBILLOCZGVAM-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815977 1385711686 /nfs/dbraw/zinc/71/16/86/1385711686.db2.gz VRSCBXYOVMOUKT-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H](CCCC[NH2+]CC[C@H](C)F)NC(=O)CCCC[NH+]1CCCC1 ZINC001176816045 1385712704 /nfs/dbraw/zinc/71/27/04/1385712704.db2.gz WHSTVHRJYNDBQZ-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001176885072 1385732175 /nfs/dbraw/zinc/73/21/75/1385732175.db2.gz ZZSWSNJQKLNDPX-LJQANCHMSA-N 2 0 349.494 3.249 20 0 EGADRP Cc1ccccc1C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997428 1385768088 /nfs/dbraw/zinc/76/80/88/1385768088.db2.gz NRZLKROVYQIRGU-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1ccccc1C(=O)N1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC001177156777 1385837154 /nfs/dbraw/zinc/83/71/54/1385837154.db2.gz ARARWGHZPTUAPB-UHFFFAOYSA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001318959336 1385897822 /nfs/dbraw/zinc/89/78/22/1385897822.db2.gz ONYATNPJLIGTOE-CADBVGFASA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2c(C)cccc2C)CC1)[NH+](C)C ZINC001318978463 1385906100 /nfs/dbraw/zinc/90/61/00/1385906100.db2.gz CZKMBDCJUGLJDP-QWFCFKBJSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C)cc1C ZINC001698620670 1406258235 /nfs/dbraw/zinc/25/82/35/1406258235.db2.gz HNWVSDHGLQEJHQ-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001177356791 1385927644 /nfs/dbraw/zinc/92/76/44/1385927644.db2.gz KCOZMDKKNWHUMC-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP C[NH+](C)CCC(=O)N(CCC[NH2+]Cc1ccccc1)CC1CCCC1 ZINC001177405889 1385944640 /nfs/dbraw/zinc/94/46/40/1385944640.db2.gz PWBSWIZRVZYBEX-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CC[C@@H](C(=O)N(CCC[NH2+]CC=C(C)C)CC1CCCC1)[NH+](C)C ZINC001177415690 1385948943 /nfs/dbraw/zinc/94/89/43/1385948943.db2.gz IJVQMOCQMYEPKJ-IBGZPJMESA-N 2 0 337.552 3.291 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177455561 1385962805 /nfs/dbraw/zinc/96/28/05/1385962805.db2.gz CMDJRISHICASTG-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]CC[C@H](C)F)CC1CCCC1 ZINC001177466911 1385966393 /nfs/dbraw/zinc/96/63/93/1385966393.db2.gz KGVODAVSTVGLDA-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC2CCCCCC2)CCCC1)[NH+](C)C ZINC001319362790 1386080086 /nfs/dbraw/zinc/08/00/86/1386080086.db2.gz YKOGAICNYNWCQV-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001178045222 1386114539 /nfs/dbraw/zinc/11/45/39/1386114539.db2.gz GSEGPDZFXBPIFI-IEBWSBKVSA-N 2 0 331.504 3.108 20 0 EGADRP CCc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045392 1386114842 /nfs/dbraw/zinc/11/48/42/1386114842.db2.gz KEJDVKMVNAIPSD-FQEVSTJZSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001178045223 1386114950 /nfs/dbraw/zinc/11/49/50/1386114950.db2.gz GSEGPDZFXBPIFI-MJGOQNOKSA-N 2 0 331.504 3.108 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001178490386 1386234422 /nfs/dbraw/zinc/23/44/22/1386234422.db2.gz LOTBYVVPHOIZGE-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCCCCCC[NH2+]CCCC1CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001178502408 1386237104 /nfs/dbraw/zinc/23/71/04/1386237104.db2.gz PPZGSQNZHFOWOP-FQEVSTJZSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001178522728 1386241245 /nfs/dbraw/zinc/24/12/45/1386241245.db2.gz PCYPQSZLZTXGGN-NLWGTHIKSA-N 2 0 345.531 3.354 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178688478 1386277802 /nfs/dbraw/zinc/27/78/02/1386277802.db2.gz JTLBFSCCNBMAAJ-SFHVURJKSA-N 2 0 325.541 3.031 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178692828 1386279592 /nfs/dbraw/zinc/27/95/92/1386279592.db2.gz CVPXPXYQHFMCSA-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)c(C)n1 ZINC001319753887 1386282176 /nfs/dbraw/zinc/28/21/76/1386282176.db2.gz NEDKJUWLKSRPOA-KRWDZBQOSA-N 2 0 338.499 3.301 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178728724 1386290832 /nfs/dbraw/zinc/29/08/32/1386290832.db2.gz CBLXKNDPZKYTAO-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178828703 1386320049 /nfs/dbraw/zinc/32/00/49/1386320049.db2.gz YCYLOQMWAJJQDV-ZMBJWTFHSA-N 2 0 337.552 3.483 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C[C@@H](F)CC)C1 ZINC001179357751 1386461901 /nfs/dbraw/zinc/46/19/01/1386461901.db2.gz KUYATKHGLTWLJI-MSOLQXFVSA-N 2 0 343.531 3.123 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179382858 1386468042 /nfs/dbraw/zinc/46/80/42/1386468042.db2.gz DEZLBCUPYCDXIE-BZSNNMDCSA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001179463363 1386487789 /nfs/dbraw/zinc/48/77/89/1386487789.db2.gz FRANLJBDAFHJDZ-LJQANCHMSA-N 2 0 349.494 3.031 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001179461471 1386488022 /nfs/dbraw/zinc/48/80/22/1386488022.db2.gz LQNNWHKDKOYHKQ-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001179464192 1386488743 /nfs/dbraw/zinc/48/87/43/1386488743.db2.gz OTGSPMNEMUUBHM-INIZCTEOSA-N 2 0 337.483 3.105 20 0 EGADRP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001320072334 1386491203 /nfs/dbraw/zinc/49/12/03/1386491203.db2.gz HZVACPCTJSVQOS-WMLDXEAASA-N 2 0 339.911 3.131 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001179557183 1386513706 /nfs/dbraw/zinc/51/37/06/1386513706.db2.gz CDOPKJXVMDWPPU-HZPDHXFCSA-N 2 0 334.508 3.142 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001179580665 1386522216 /nfs/dbraw/zinc/52/22/16/1386522216.db2.gz LSMLIWMLRJGVNG-RTBURBONSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580877 1386522245 /nfs/dbraw/zinc/52/22/45/1386522245.db2.gz UHKOTRDBYWYGRO-RTBURBONSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCC2CCCC2)C1 ZINC001179585756 1386524188 /nfs/dbraw/zinc/52/41/88/1386524188.db2.gz KUEQDDAZYRESIK-GOSISDBHSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC001179609340 1386530500 /nfs/dbraw/zinc/53/05/00/1386530500.db2.gz OQBMZJRFCKLVRS-FQEVSTJZSA-N 2 0 347.547 3.410 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C)c1ccc(F)cc1 ZINC001179744220 1386568968 /nfs/dbraw/zinc/56/89/68/1386568968.db2.gz IMVYNWOGUSBPBG-IPELMVKDSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179745546 1386570314 /nfs/dbraw/zinc/57/03/14/1386570314.db2.gz ADGFUZARYKEIQY-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001179746081 1386570346 /nfs/dbraw/zinc/57/03/46/1386570346.db2.gz NZFODLISTGPYHP-QZTJIDSGSA-N 2 0 343.531 3.264 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCCCCC[NH2+]CCC1CC1)C(C)C ZINC001179842921 1386604301 /nfs/dbraw/zinc/60/43/01/1386604301.db2.gz GGASOCSIZVAQBI-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320464640 1386617152 /nfs/dbraw/zinc/61/71/52/1386617152.db2.gz QMQKXMRNWPERRF-WMZOPIPTSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1ccccc1F ZINC001179958559 1386647598 /nfs/dbraw/zinc/64/75/98/1386647598.db2.gz DDVOSMSHQSDDPU-BXWFABGCSA-N 2 0 349.494 3.198 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccco1 ZINC001320692256 1386693297 /nfs/dbraw/zinc/69/32/97/1386693297.db2.gz UAJODBDTNYULFF-QGZVFWFLSA-N 2 0 340.427 3.049 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CCCc1ccccc1 ZINC001180124251 1386704929 /nfs/dbraw/zinc/70/49/29/1386704929.db2.gz RTCOUWYUEWOOSM-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC001180264960 1386750533 /nfs/dbraw/zinc/75/05/33/1386750533.db2.gz LQKVCILMGNIAEI-AEFFLSMTSA-N 2 0 349.494 3.105 20 0 EGADRP C[C@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180273226 1386752038 /nfs/dbraw/zinc/75/20/38/1386752038.db2.gz UOXFBIZBGFZXCJ-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCCCC[NH2+]CCCCCF ZINC001180351393 1386771640 /nfs/dbraw/zinc/77/16/40/1386771640.db2.gz AXXXICBCUHJRAH-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180360514 1386774088 /nfs/dbraw/zinc/77/40/88/1386774088.db2.gz GTVOOOXBAIGERU-GOSISDBHSA-N 2 0 325.541 3.175 20 0 EGADRP CSc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001321356409 1386884524 /nfs/dbraw/zinc/88/45/24/1386884524.db2.gz YXIMDSAKWVQZBE-HOTGVXAUSA-N 2 0 333.545 3.228 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001181885149 1387071309 /nfs/dbraw/zinc/07/13/09/1387071309.db2.gz QAVOPXZNQTTYFZ-MBOZVWFJSA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181941764 1387079883 /nfs/dbraw/zinc/07/98/83/1387079883.db2.gz OYHYVIUSLSGQGP-NFVPIQPQSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182125033 1387108941 /nfs/dbraw/zinc/10/89/41/1387108941.db2.gz KSLNTWDMRGCSPZ-OXQOHEQNSA-N 2 0 342.487 3.068 20 0 EGADRP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)NCCCCC[NH+](C)C)C1 ZINC001182341733 1387152333 /nfs/dbraw/zinc/15/23/33/1387152333.db2.gz SLPAIUJRVHCVTM-FQEVSTJZSA-N 2 0 345.531 3.055 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001182516960 1387181453 /nfs/dbraw/zinc/18/14/53/1387181453.db2.gz MEPPSFYHZAUECS-YFVAEKQCSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001182896763 1387241653 /nfs/dbraw/zinc/24/16/53/1387241653.db2.gz FQWNSYZTNSNVPL-DYESRHJHSA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001329357761 1389073961 /nfs/dbraw/zinc/07/39/61/1389073961.db2.gz CDHQSYCRQSDNGS-SFHVURJKSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336785651 1389169047 /nfs/dbraw/zinc/16/90/47/1389169047.db2.gz QRQQKRIJLNRAOT-CJNGLKHVSA-N 2 0 344.421 3.449 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1)[NH+](C)C ZINC001698717730 1406361755 /nfs/dbraw/zinc/36/17/55/1406361755.db2.gz PUZIKWUDMCYYNO-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c2ccccc2[nH+]1 ZINC001337746383 1389433995 /nfs/dbraw/zinc/43/39/95/1389433995.db2.gz PFGHPIWYFPRLQI-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001330515943 1389441776 /nfs/dbraw/zinc/44/17/76/1389441776.db2.gz UPRGPZWEHJGQSV-LJQANCHMSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)Cc2c(C)cccc2C)CC1 ZINC001331058969 1389614190 /nfs/dbraw/zinc/61/41/90/1389614190.db2.gz GVAWQVYYSCDXAA-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC001331420302 1389741005 /nfs/dbraw/zinc/74/10/05/1389741005.db2.gz VKDVNLJDCDGKOY-KRWDZBQOSA-N 2 0 349.482 3.081 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001332015449 1389946820 /nfs/dbraw/zinc/94/68/20/1389946820.db2.gz NHGBTEXWUDKRQE-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC2CCCCC2)CC1 ZINC001698771937 1406431993 /nfs/dbraw/zinc/43/19/93/1406431993.db2.gz DXTGQLGRRWLMPP-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP COc1cccc(C[N@H+](CC2CC[NH+](C)CC2)C2CCC(O)CC2)c1 ZINC001334125865 1390483065 /nfs/dbraw/zinc/48/30/65/1390483065.db2.gz KZQIGEUWIYGFDT-UHFFFAOYSA-N 2 0 346.515 3.143 20 0 EGADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001341553698 1390501523 /nfs/dbraw/zinc/50/15/23/1390501523.db2.gz SSYLNKUUICTWCF-JFIYKMOQSA-N 2 0 329.488 3.245 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]12CC[NH2+][C@H]1CCCC2)c1ccsc1 ZINC001341556107 1390501738 /nfs/dbraw/zinc/50/17/38/1390501738.db2.gz UALDLJJFEWGKSV-JENIJYKNSA-N 2 0 349.544 3.170 20 0 EGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001341620513 1390511061 /nfs/dbraw/zinc/51/10/61/1390511061.db2.gz YMHJRDMAQSHBQZ-UXPWSPDFSA-N 2 0 347.547 3.211 20 0 EGADRP COc1ccc2[nH+]ccc(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c2c1 ZINC001334337170 1390519751 /nfs/dbraw/zinc/51/97/51/1390519751.db2.gz RXCUMWWWFIJSGA-JYJNAYRXSA-N 2 0 325.456 3.410 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]CC2)cc1 ZINC001342082985 1390569301 /nfs/dbraw/zinc/56/93/01/1390569301.db2.gz TULAXUPJTCIHNS-KRWDZBQOSA-N 2 0 331.504 3.038 20 0 EGADRP c1ccc2c(c1)C[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC21CCC1 ZINC001334763443 1390584159 /nfs/dbraw/zinc/58/41/59/1390584159.db2.gz RPUNERYTSPMNEK-SFHVURJKSA-N 2 0 326.484 3.083 20 0 EGADRP COc1cccc(-c2csc(C[NH2+]CCCn3ccnc3)n2)c1 ZINC001334936472 1390623207 /nfs/dbraw/zinc/62/32/07/1390623207.db2.gz PEFZJMYSOHKQPH-UHFFFAOYSA-N 2 0 328.441 3.195 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1cccc(F)c1 ZINC001335126014 1390645295 /nfs/dbraw/zinc/64/52/95/1390645295.db2.gz DHAGIHQFUFEFMK-FQEVSTJZSA-N 2 0 330.447 3.443 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CCCCC1 ZINC001345242462 1390850891 /nfs/dbraw/zinc/85/08/91/1390850891.db2.gz INUHXEPSERCRGW-SFHVURJKSA-N 2 0 345.531 3.266 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1)c1ccccc1 ZINC001698804528 1406484388 /nfs/dbraw/zinc/48/43/88/1406484388.db2.gz KHZCTGWAQQTMHW-ZWKOTPCHSA-N 2 0 343.515 3.108 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC001348842441 1391273660 /nfs/dbraw/zinc/27/36/60/1391273660.db2.gz ZAPXSMVMDYLFBZ-VXGBXAGGSA-N 2 0 331.382 3.010 20 0 EGADRP CCCOc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC ZINC001349325506 1391321040 /nfs/dbraw/zinc/32/10/40/1391321040.db2.gz OUIJWIDPLOBLJG-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP CC[N@H+](CCC[NH2+]C1CCN(CC(F)F)CC1)C1CCCCC1 ZINC001349569549 1391341615 /nfs/dbraw/zinc/34/16/15/1391341615.db2.gz OQNBMWBRLKFIFQ-UHFFFAOYSA-N 2 0 331.495 3.350 20 0 EGADRP CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001698860159 1406569695 /nfs/dbraw/zinc/56/96/95/1406569695.db2.gz HBBTZELYDUEQTG-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001480368389 1392710721 /nfs/dbraw/zinc/71/07/21/1392710721.db2.gz VHCWDIXROMECNN-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001480406841 1392743939 /nfs/dbraw/zinc/74/39/39/1392743939.db2.gz IZKMFIKVXYASCO-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001480794050 1392937717 /nfs/dbraw/zinc/93/77/17/1392937717.db2.gz VARBYONTRKPREB-ICSRJNTNSA-N 2 0 345.531 3.242 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC001480799605 1392941515 /nfs/dbraw/zinc/94/15/15/1392941515.db2.gz YLKMHYQLNQUIJO-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001480865072 1392987830 /nfs/dbraw/zinc/98/78/30/1392987830.db2.gz ZZZPFCMWYZRYTC-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001481192574 1393146833 /nfs/dbraw/zinc/14/68/33/1393146833.db2.gz WYEIYMBTJRBKPX-SFHVURJKSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001490421778 1394223006 /nfs/dbraw/zinc/22/30/06/1394223006.db2.gz NKWFVJKTXPGCNQ-DNVCBOLYSA-N 2 0 349.494 3.150 20 0 EGADRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481869380 1394568818 /nfs/dbraw/zinc/56/88/18/1394568818.db2.gz KYJKGNYVSSWHHE-ROUUACIJSA-N 2 0 339.568 3.273 20 0 EGADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698960390 1406713479 /nfs/dbraw/zinc/71/34/79/1406713479.db2.gz IAVZOGLJEJBGBB-HNAYVOBHSA-N 2 0 349.494 3.101 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001482142174 1394767651 /nfs/dbraw/zinc/76/76/51/1394767651.db2.gz JUDIFELBRNVGNN-APWZRJJASA-N 2 0 347.547 3.166 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001482339085 1394907362 /nfs/dbraw/zinc/90/73/62/1394907362.db2.gz NJAVHLJVBMIBDW-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001482497137 1395048669 /nfs/dbraw/zinc/04/86/69/1395048669.db2.gz BSDQPSLIJIYBLN-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001483934776 1395151250 /nfs/dbraw/zinc/15/12/50/1395151250.db2.gz SASUAOIJYXCXKU-OALUTQOASA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001484141248 1395277976 /nfs/dbraw/zinc/27/79/76/1395277976.db2.gz CJNLGMWAELWSNS-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001484473565 1395408087 /nfs/dbraw/zinc/40/80/87/1395408087.db2.gz ZGCXMVZFRDHSFB-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001485238357 1395730970 /nfs/dbraw/zinc/73/09/70/1395730970.db2.gz AASFVMFXOFGAEQ-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC2CCCCC2)CC1 ZINC001698999404 1406802819 /nfs/dbraw/zinc/80/28/19/1406802819.db2.gz AZXPZDWLWZUXRH-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001485778382 1396148695 /nfs/dbraw/zinc/14/86/95/1396148695.db2.gz DZEIPRMTFKIPHD-UXHICEINSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001485960454 1396174116 /nfs/dbraw/zinc/17/41/16/1396174116.db2.gz GWLPFGDHQCBHED-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496181676 1396621180 /nfs/dbraw/zinc/62/11/80/1396621180.db2.gz FMRTZGLBIBHWGH-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001496293668 1396635666 /nfs/dbraw/zinc/63/56/66/1396635666.db2.gz JJNGBEKWUFTYFP-HXUWFJFHSA-N 2 0 345.531 3.039 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001699011430 1406841691 /nfs/dbraw/zinc/84/16/91/1406841691.db2.gz ZEFWGXTYMZRVFO-HXUWFJFHSA-N 2 0 345.531 3.404 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001690049443 1404281868 /nfs/dbraw/zinc/28/18/68/1404281868.db2.gz SIQBXUKTCHLAFV-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001690606775 1404650394 /nfs/dbraw/zinc/65/03/94/1404650394.db2.gz UYOFBAZQBQFVQC-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690970820 1404877900 /nfs/dbraw/zinc/87/79/00/1404877900.db2.gz LMLRXAPRNFXYRX-AEFFLSMTSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)[C@H](C)c1ccccc1 ZINC001691043612 1404954574 /nfs/dbraw/zinc/95/45/74/1404954574.db2.gz SFKVPNQSXMVTCM-QUCCMNQESA-N 2 0 345.531 3.449 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001691102887 1405042797 /nfs/dbraw/zinc/04/27/97/1405042797.db2.gz QTFXDGDPPZFVEP-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC001691773310 1405485082 /nfs/dbraw/zinc/48/50/82/1405485082.db2.gz WQOOVKBRNBHONB-HXUWFJFHSA-N 2 0 345.531 3.309 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001691990143 1405703102 /nfs/dbraw/zinc/70/31/02/1405703102.db2.gz VVFSNKIWEWIBMM-SJORKVTESA-N 2 0 349.494 3.009 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001691990142 1405703702 /nfs/dbraw/zinc/70/37/02/1405703702.db2.gz VVFSNKIWEWIBMM-IRXDYDNUSA-N 2 0 349.494 3.009 20 0 EGADRP CCc1ccccc1C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001731803938 1427972072 /nfs/dbraw/zinc/97/20/72/1427972072.db2.gz XAEYGGQDIPTXHS-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001692343872 1405962990 /nfs/dbraw/zinc/96/29/90/1405962990.db2.gz IJFKMWWQMQUUFY-KRWDZBQOSA-N 2 0 345.531 3.261 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001731912010 1428168419 /nfs/dbraw/zinc/16/84/19/1428168419.db2.gz XXLYEMIOELXRMT-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001698586031 1406202636 /nfs/dbraw/zinc/20/26/36/1406202636.db2.gz OMNHSBXOPDYZPF-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCCCCC1 ZINC001698604128 1406230382 /nfs/dbraw/zinc/23/03/82/1406230382.db2.gz KCXPDJGZOVWASX-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001732313108 1428525297 /nfs/dbraw/zinc/52/52/97/1428525297.db2.gz MFLCIACBIXWVOI-WGSAOQKQSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001699429174 1412745813 /nfs/dbraw/zinc/74/58/13/1412745813.db2.gz YMUHNFVOVQJXSF-IRXDYDNUSA-N 2 0 341.499 3.337 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001699460913 1412814509 /nfs/dbraw/zinc/81/45/09/1412814509.db2.gz GIMJOHWOFXJFHH-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001699481224 1412875008 /nfs/dbraw/zinc/87/50/08/1412875008.db2.gz GIWAPCODGGYBEZ-VQTJNVASSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699487941 1412884485 /nfs/dbraw/zinc/88/44/85/1412884485.db2.gz WMJHKYBHMSPMJE-VQTJNVASSA-N 2 0 345.531 3.282 20 0 EGADRP C[N@H+](CC(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1)CC(C)(C)C ZINC001699689064 1413091634 /nfs/dbraw/zinc/09/16/34/1413091634.db2.gz MIHFSJFTQKKXSW-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[NH+]1CCCCCC1 ZINC001699980015 1413425487 /nfs/dbraw/zinc/42/54/87/1413425487.db2.gz UEAUEZZPYDZFHO-IHPCNDPISA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH+](C)Cc2ccccc2)C1 ZINC001700189300 1413616024 /nfs/dbraw/zinc/61/60/24/1413616024.db2.gz IOTIHXCPMOSOPF-FQEVSTJZSA-N 2 0 345.531 3.089 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001700196401 1413637968 /nfs/dbraw/zinc/63/79/68/1413637968.db2.gz DZJMTPKVFLCBHQ-PMACEKPBSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001700291828 1413744827 /nfs/dbraw/zinc/74/48/27/1413744827.db2.gz GQLGCAURMUBERZ-IRXDYDNUSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001700321296 1413787284 /nfs/dbraw/zinc/78/72/84/1413787284.db2.gz YYSVZDXATDQHAA-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCCCC1 ZINC001700756739 1414427917 /nfs/dbraw/zinc/42/79/17/1414427917.db2.gz MMPVFMBRBRMHBZ-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2F)[C@H]1C ZINC001700891001 1414550290 /nfs/dbraw/zinc/55/02/90/1414550290.db2.gz YGMQLOCFMTYSOZ-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001732754952 1428949936 /nfs/dbraw/zinc/94/99/36/1428949936.db2.gz PVCONWCHTSKBAN-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732978007 1429104193 /nfs/dbraw/zinc/10/41/93/1429104193.db2.gz WDOQCKKLQWQSPR-SJORKVTESA-N 2 0 339.483 3.217 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001733044287 1429175743 /nfs/dbraw/zinc/17/57/43/1429175743.db2.gz GTNHVIDXGYTONJ-APWZRJJASA-N 2 0 331.504 3.059 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001712998936 1417550747 /nfs/dbraw/zinc/55/07/47/1417550747.db2.gz IOLJAFJQNZTZHE-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001713057150 1417611600 /nfs/dbraw/zinc/61/16/00/1417611600.db2.gz ZBQVTUKWUGWZGS-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713062604 1417619803 /nfs/dbraw/zinc/61/98/03/1417619803.db2.gz GCHYHKGAGCYCHZ-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](CCC)CC1 ZINC001713102009 1417655790 /nfs/dbraw/zinc/65/57/90/1417655790.db2.gz JDPHRCYARMYUJU-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](CCCC(C)(C)C)C1)C1CCC1 ZINC001713216095 1417791609 /nfs/dbraw/zinc/79/16/09/1417791609.db2.gz YMJKQBPQDJBMGE-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713278055 1417901000 /nfs/dbraw/zinc/90/10/00/1417901000.db2.gz QJJDIZMCSANNHW-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713279460 1417904698 /nfs/dbraw/zinc/90/46/98/1417904698.db2.gz ZNRHFYPPCIJSEH-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001713291798 1417919460 /nfs/dbraw/zinc/91/94/60/1417919460.db2.gz ZXZUFYFYKIZNQB-VNCLNFNDSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001713328401 1417953493 /nfs/dbraw/zinc/95/34/93/1417953493.db2.gz XQXIRSUVYXOJCQ-MSOLQXFVSA-N 2 0 345.531 3.354 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713378360 1417988255 /nfs/dbraw/zinc/98/82/55/1417988255.db2.gz DHZPWEWKDJBDRO-OALUTQOASA-N 2 0 349.494 3.015 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001713734483 1418525755 /nfs/dbraw/zinc/52/57/55/1418525755.db2.gz IWDHFRLOCRMNPP-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)c1 ZINC001713735926 1418528974 /nfs/dbraw/zinc/52/89/74/1418528974.db2.gz ZOQJGWTZABHUCU-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001713737849 1418535134 /nfs/dbraw/zinc/53/51/34/1418535134.db2.gz NSQXDSJYBWXCQA-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH+](C)CCC3CCCC3)CC2)C1 ZINC001713766176 1418580046 /nfs/dbraw/zinc/58/00/46/1418580046.db2.gz PXDIOBSUXADETD-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CCc1cccc(C[NH+]2CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC2)c1 ZINC001713785261 1418601973 /nfs/dbraw/zinc/60/19/73/1418601973.db2.gz BQAOWZCOBUINQR-FQEVSTJZSA-N 2 0 345.531 3.012 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001713826093 1418625916 /nfs/dbraw/zinc/62/59/16/1418625916.db2.gz ULAWJPTYSOPQQG-OXUXSNCKSA-N 2 0 335.536 3.044 20 0 EGADRP CCCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001713857551 1418653985 /nfs/dbraw/zinc/65/39/85/1418653985.db2.gz YRRQNNWBEGOOLO-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001713964895 1418744768 /nfs/dbraw/zinc/74/47/68/1418744768.db2.gz OYKQECCRIQSVKM-KZNAEPCWSA-N 2 0 331.504 3.025 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001733188886 1429290928 /nfs/dbraw/zinc/29/09/28/1429290928.db2.gz AIEUCCJLQHSYTI-HXUWFJFHSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001714138937 1418941595 /nfs/dbraw/zinc/94/15/95/1418941595.db2.gz ARYYXJPCMCVVLF-PKOBYXMFSA-N 2 0 343.515 3.169 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001714140026 1418942628 /nfs/dbraw/zinc/94/26/28/1418942628.db2.gz RZYUJRKHVWRGNE-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001714152064 1418959238 /nfs/dbraw/zinc/95/92/38/1418959238.db2.gz XHPXFSOZFHCZAF-ROUUACIJSA-N 2 0 343.515 3.026 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714154782 1418963359 /nfs/dbraw/zinc/96/33/59/1418963359.db2.gz ZIXVUWMGSAGSTR-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001714194710 1418999910 /nfs/dbraw/zinc/99/99/10/1418999910.db2.gz MPSYUYDLELGDEM-QHGAOEGBSA-N 2 0 345.531 3.415 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001714413725 1419152086 /nfs/dbraw/zinc/15/20/86/1419152086.db2.gz XTQXOIOGHBBYEY-RBUKOAKNSA-N 2 0 337.552 3.316 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CCCC3CCC3)C2)CC1 ZINC001714449203 1419181995 /nfs/dbraw/zinc/18/19/95/1419181995.db2.gz YWRZRVYMVHHLAG-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001714452484 1419184926 /nfs/dbraw/zinc/18/49/26/1419184926.db2.gz FDSUNUGVJPRAAG-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714564871 1419293218 /nfs/dbraw/zinc/29/32/18/1419293218.db2.gz MZEAWQARHVOCOM-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccccc1C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714572700 1419306164 /nfs/dbraw/zinc/30/61/64/1419306164.db2.gz RGYLNSJUOWTUCI-HXUWFJFHSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001714748930 1419492713 /nfs/dbraw/zinc/49/27/13/1419492713.db2.gz FNJGIGMWGIHZEH-KRWDZBQOSA-N 2 0 345.531 3.261 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001714813732 1419524759 /nfs/dbraw/zinc/52/47/59/1419524759.db2.gz HSGKYVRKOASPBD-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001715004722 1419735112 /nfs/dbraw/zinc/73/51/12/1419735112.db2.gz IXUSIZBYUAZMQP-QGZVFWFLSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715062704 1419801379 /nfs/dbraw/zinc/80/13/79/1419801379.db2.gz INDUXMMVQWLENS-GOSISDBHSA-N 2 0 345.531 3.081 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001715089720 1419830274 /nfs/dbraw/zinc/83/02/74/1419830274.db2.gz YWUOPUJTRBZCPB-VQTJNVASSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001715198634 1419930642 /nfs/dbraw/zinc/93/06/42/1419930642.db2.gz YOUJBPWAEXZJFP-SFHVURJKSA-N 2 0 345.531 3.313 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001715249796 1419975312 /nfs/dbraw/zinc/97/53/12/1419975312.db2.gz AXPYPLVIJZORDM-UYAOXDASSA-N 2 0 345.531 3.100 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001715975704 1420436056 /nfs/dbraw/zinc/43/60/56/1420436056.db2.gz GRWSZQNENFTNER-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716008461 1420462065 /nfs/dbraw/zinc/46/20/65/1420462065.db2.gz IBRFFSPWUSZVRB-IRXDYDNUSA-N 2 0 339.483 3.217 20 0 EGADRP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001716424776 1420652247 /nfs/dbraw/zinc/65/22/47/1420652247.db2.gz TTZHFVAOWFTJQU-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478280 1420693958 /nfs/dbraw/zinc/69/39/58/1420693958.db2.gz PXFFLAOJFDQMOJ-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716485004 1420703345 /nfs/dbraw/zinc/70/33/45/1420703345.db2.gz LXYFKYGSRPKWOQ-PKOBYXMFSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccc2ccccc2c1 ZINC001716503356 1420732439 /nfs/dbraw/zinc/73/24/39/1420732439.db2.gz NEKKALDJJROSQL-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716507346 1420738195 /nfs/dbraw/zinc/73/81/95/1420738195.db2.gz CKWKLEAQOYQPAM-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001716684807 1420838468 /nfs/dbraw/zinc/83/84/68/1420838468.db2.gz CVFKWMGNWBRGKF-MJGOQNOKSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001716853619 1420985045 /nfs/dbraw/zinc/98/50/45/1420985045.db2.gz FHGGVEQICRLKMC-QUCCMNQESA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CC2CCCCC2)CCC1)CC(C)(C)C ZINC001717157260 1421146952 /nfs/dbraw/zinc/14/69/52/1421146952.db2.gz IPKIHTOVEKJUCQ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001717201939 1421169843 /nfs/dbraw/zinc/16/98/43/1421169843.db2.gz LFBWFIAXVKJYTN-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001717212558 1421187146 /nfs/dbraw/zinc/18/71/46/1421187146.db2.gz YKLOXOZKUOLDTC-RBUKOAKNSA-N 2 0 345.531 3.178 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001717270627 1421227621 /nfs/dbraw/zinc/22/76/21/1421227621.db2.gz GAOIVFKHPLDSKY-QGZVFWFLSA-N 2 0 343.515 3.291 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001717377064 1421319821 /nfs/dbraw/zinc/31/98/21/1421319821.db2.gz FQFSDWWCDZICBQ-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717549452 1421487683 /nfs/dbraw/zinc/48/76/83/1421487683.db2.gz USBCSDXIVMOHPU-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001717827057 1421641044 /nfs/dbraw/zinc/64/10/44/1421641044.db2.gz VHOYAIHSLLVGJG-APWZRJJASA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)c(F)c1 ZINC001718036493 1421787954 /nfs/dbraw/zinc/78/79/54/1421787954.db2.gz PCFVETHXYWEVSW-IBGZPJMESA-N 2 0 349.494 3.084 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001733410989 1429611323 /nfs/dbraw/zinc/61/13/23/1429611323.db2.gz HBGDKDGJVKCABK-OXQOHEQNSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001723571843 1424470314 /nfs/dbraw/zinc/47/03/14/1424470314.db2.gz UCXXOCYKVGBUTR-ROUUACIJSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CCCCCC1 ZINC001723639388 1424502668 /nfs/dbraw/zinc/50/26/68/1424502668.db2.gz DWLYMWCEMUWJAB-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[C@@H]1C ZINC001723877244 1424595475 /nfs/dbraw/zinc/59/54/75/1424595475.db2.gz TYRPHLXQQKOLLP-QYLKWSRPSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001724021483 1424631151 /nfs/dbraw/zinc/63/11/51/1424631151.db2.gz CZBPFYIFSZKJTQ-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001733565983 1429766867 /nfs/dbraw/zinc/76/68/67/1429766867.db2.gz MBZJXACJUABCER-REPLKXPHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001724855696 1425226417 /nfs/dbraw/zinc/22/64/17/1425226417.db2.gz NBTNVKIJTXNCJI-INIZCTEOSA-N 2 0 349.494 3.009 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047325 1425477622 /nfs/dbraw/zinc/47/76/22/1425477622.db2.gz MGPIUGSSONGJRN-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001725196607 1425751565 /nfs/dbraw/zinc/75/15/65/1425751565.db2.gz RIYQAUQTUQTKTK-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H](C(=O)N1CCC([N@H+](C)CCCC2CCCC2)CC1)[NH+](C)C ZINC001725419635 1426067082 /nfs/dbraw/zinc/06/70/82/1426067082.db2.gz GRYLHOIDCXBNNE-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001725569263 1426229446 /nfs/dbraw/zinc/22/94/46/1426229446.db2.gz SVRRZLPRVVRLBT-QUCCMNQESA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCCC1CCCC1 ZINC001725634118 1426304274 /nfs/dbraw/zinc/30/42/74/1426304274.db2.gz RMARKWKYHURNSH-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C2CCC2)C2CC2)c1 ZINC001731396881 1427353148 /nfs/dbraw/zinc/35/31/48/1427353148.db2.gz NBRSSOWSZFXVBB-JXFKEZNVSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001731536201 1427532769 /nfs/dbraw/zinc/53/27/69/1427532769.db2.gz MCUPVJJSKXHXLZ-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001731812094 1427996111 /nfs/dbraw/zinc/99/61/11/1427996111.db2.gz BDGTUYFVEDERQU-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001731880073 1428149553 /nfs/dbraw/zinc/14/95/53/1428149553.db2.gz ATNNNOXDHYMDDU-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001733766133 1429988551 /nfs/dbraw/zinc/98/85/51/1429988551.db2.gz BYIAZGFEDBIXAJ-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](C/C=C\c2ccccc2)CC1 ZINC001733770575 1430000888 /nfs/dbraw/zinc/00/08/88/1430000888.db2.gz UDYMMYKUHBCQOZ-QRGKHIHXSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733941700 1437757753 /nfs/dbraw/zinc/75/77/53/1437757753.db2.gz SCNIVFOQKCFHBK-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC3CC3)C2)CC1 ZINC001733941818 1437758215 /nfs/dbraw/zinc/75/82/15/1437758215.db2.gz RCFVRWSEJGUOTN-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCCC1CCC1 ZINC001734456314 1438114052 /nfs/dbraw/zinc/11/40/52/1438114052.db2.gz HTNAHZPACBQDKC-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001752156174 1440147166 /nfs/dbraw/zinc/14/71/66/1440147166.db2.gz JDFUQBVDTSJIIV-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001752181971 1440151223 /nfs/dbraw/zinc/15/12/23/1440151223.db2.gz REMSHCHAIPPDCE-RLLQIKCJSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001752293369 1440166515 /nfs/dbraw/zinc/16/65/15/1440166515.db2.gz JPGPQCJGHMSEPG-ICSRJNTNSA-N 2 0 343.515 3.060 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001752308090 1440168822 /nfs/dbraw/zinc/16/88/22/1440168822.db2.gz KPCKEBPULMOPBC-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001752309952 1440169726 /nfs/dbraw/zinc/16/97/26/1440169726.db2.gz ICQHHXDDPUCELW-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001752733192 1440204280 /nfs/dbraw/zinc/20/42/80/1440204280.db2.gz MRHCXWJUEVLXJY-SCTDSRPQSA-N 2 0 335.536 3.066 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001752789328 1440213001 /nfs/dbraw/zinc/21/30/01/1440213001.db2.gz YICONCHWFOUABA-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001752833534 1440226557 /nfs/dbraw/zinc/22/65/57/1440226557.db2.gz HDXIQRGSTDYLSV-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752835399 1440227558 /nfs/dbraw/zinc/22/75/58/1440227558.db2.gz FNPZKDXJDBHHNE-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001752836071 1440227787 /nfs/dbraw/zinc/22/77/87/1440227787.db2.gz KOFFSSXPALIUIP-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001752840122 1440230074 /nfs/dbraw/zinc/23/00/74/1440230074.db2.gz GWBOWQXYHWGLJT-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752840425 1440230171 /nfs/dbraw/zinc/23/01/71/1440230171.db2.gz JWWHMPLHSPOUPN-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001752841709 1440231054 /nfs/dbraw/zinc/23/10/54/1440231054.db2.gz SINIVFQZJYMTQC-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001752842351 1440231257 /nfs/dbraw/zinc/23/12/57/1440231257.db2.gz YSUGAXDZTWDUHJ-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752842398 1440231334 /nfs/dbraw/zinc/23/13/34/1440231334.db2.gz ZGDYEWKODXCFBZ-YSKLNCTFSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001752854777 1440234642 /nfs/dbraw/zinc/23/46/42/1440234642.db2.gz VQIIULUSOLVSAT-UHFFFAOYSA-N 2 0 349.494 3.015 20 0 EGADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001752879794 1440238700 /nfs/dbraw/zinc/23/87/00/1440238700.db2.gz NGSSRIMXWJTNHZ-MRXNPFEDSA-N 2 0 345.531 3.063 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001752921666 1440248724 /nfs/dbraw/zinc/24/87/24/1440248724.db2.gz WTHWSYXGSCUQQQ-ZWKOTPCHSA-N 2 0 331.504 3.026 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001752951394 1440252202 /nfs/dbraw/zinc/25/22/02/1440252202.db2.gz XZERNXTXXBRVQV-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001752959003 1440253089 /nfs/dbraw/zinc/25/30/89/1440253089.db2.gz RUEVBBGEWLMPET-APWZRJJASA-N 2 0 349.494 3.057 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001752973230 1440255498 /nfs/dbraw/zinc/25/54/98/1440255498.db2.gz GHKYTEZMQYNTFN-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001752979527 1440256708 /nfs/dbraw/zinc/25/67/08/1440256708.db2.gz BUQYROGHUNNQTD-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753000383 1440264394 /nfs/dbraw/zinc/26/43/94/1440264394.db2.gz RXXDWDRWJQQBOX-YLJYHZDGSA-N 2 0 345.531 3.331 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001753034318 1440274152 /nfs/dbraw/zinc/27/41/52/1440274152.db2.gz FVFOBMVNMYMBTD-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CC1 ZINC001753035751 1440274485 /nfs/dbraw/zinc/27/44/85/1440274485.db2.gz JVQUHJLPVTZZPD-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001753039909 1440275871 /nfs/dbraw/zinc/27/58/71/1440275871.db2.gz MQVSEXZQHWAHQK-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CC1CCCC1 ZINC001753083068 1440294916 /nfs/dbraw/zinc/29/49/16/1440294916.db2.gz UFLFDCZXBDAURH-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCC1CCCCCC1 ZINC001753087294 1440296948 /nfs/dbraw/zinc/29/69/48/1440296948.db2.gz ZFYSEECUULRYCQ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001753116459 1440311601 /nfs/dbraw/zinc/31/16/01/1440311601.db2.gz VXBYRLYNRGKATA-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C)cc1C ZINC001753117005 1440311730 /nfs/dbraw/zinc/31/17/30/1440311730.db2.gz TYSWTVCQHBKLRM-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)(C(=O)NCC[N@H+](CCC1CCCC1)C1CC1)[NH+]1CCCC1 ZINC001753158398 1440332312 /nfs/dbraw/zinc/33/23/12/1440332312.db2.gz SEUONVMZMXSZIQ-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001753189319 1440337426 /nfs/dbraw/zinc/33/74/26/1440337426.db2.gz KWKIZRFLRGIFSZ-QGZVFWFLSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001753265786 1440344798 /nfs/dbraw/zinc/34/47/98/1440344798.db2.gz OLKPNESCHVDIAP-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001753295124 1440352032 /nfs/dbraw/zinc/35/20/32/1440352032.db2.gz DXAKNARBWKEUDC-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1ccccc1 ZINC001753295541 1440352206 /nfs/dbraw/zinc/35/22/06/1440352206.db2.gz VYCBPZKHDJECHB-KDURUIRLSA-N 2 0 345.531 3.276 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC1=CCCCC1 ZINC001753295657 1440352210 /nfs/dbraw/zinc/35/22/10/1440352210.db2.gz ZWJPHXVINSNPSY-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753359543 1440382104 /nfs/dbraw/zinc/38/21/04/1440382104.db2.gz JPXZZLLXDINRFC-LIXSYLKWSA-N 2 0 349.563 3.243 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753448660 1440405024 /nfs/dbraw/zinc/40/50/24/1440405024.db2.gz YWJBCIBUKGSRAM-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001753460574 1440410436 /nfs/dbraw/zinc/41/04/36/1440410436.db2.gz BPQZKHZWRROPQC-GOSISDBHSA-N 2 0 342.487 3.369 20 0 EGADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001753477555 1440415714 /nfs/dbraw/zinc/41/57/14/1440415714.db2.gz DYEOOUPOEMHTEN-UYAOXDASSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001753486462 1440418029 /nfs/dbraw/zinc/41/80/29/1440418029.db2.gz QVUDOCBDCQYMLC-FXAWDEMLSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@@H]1CCCC[C@]1(C[NH2+]CCCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001753535745 1440432551 /nfs/dbraw/zinc/43/25/51/1440432551.db2.gz LRYBXCGDZFHRSN-YLJYHZDGSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)[NH2+]C[C@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@@H]1C ZINC001753538051 1440433034 /nfs/dbraw/zinc/43/30/34/1440433034.db2.gz VXKSJAHNWURQAS-LAUBAEHRSA-N 2 0 345.531 3.425 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2C)C1 ZINC001753559802 1440436779 /nfs/dbraw/zinc/43/67/79/1440436779.db2.gz NXUXCDJBZSSMLA-IBGZPJMESA-N 2 0 345.531 3.055 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001753561390 1440436934 /nfs/dbraw/zinc/43/69/34/1440436934.db2.gz RWLBLZAYDPFEOG-HXUWFJFHSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001753586390 1440441391 /nfs/dbraw/zinc/44/13/91/1440441391.db2.gz YSSLQXMQTKBTLP-BHIYHBOVSA-N 2 0 337.552 3.027 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001753586825 1440441507 /nfs/dbraw/zinc/44/15/07/1440441507.db2.gz CXRQRUOLFOSQFD-RTLRUIJZSA-N 2 0 335.536 3.092 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]cn1)CC2 ZINC001753604075 1440447715 /nfs/dbraw/zinc/44/77/15/1440447715.db2.gz UFAILJQHQYKZAQ-ARJAWSKDSA-N 2 0 344.503 3.013 20 0 EGADRP C[C@H](C(=O)NC[C@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001753632289 1440452481 /nfs/dbraw/zinc/45/24/81/1440452481.db2.gz LGYDIQLDBJDSMB-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753717766 1440472328 /nfs/dbraw/zinc/47/23/28/1440472328.db2.gz VVBTVCSQJDFAKK-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001753717844 1440472347 /nfs/dbraw/zinc/47/23/47/1440472347.db2.gz XMLJCXYYGGXPBS-SFHVURJKSA-N 2 0 345.531 3.052 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCCC1 ZINC001753773938 1440486157 /nfs/dbraw/zinc/48/61/57/1440486157.db2.gz UVBBQLFFFMWBMF-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001753786726 1440488214 /nfs/dbraw/zinc/48/82/14/1440488214.db2.gz SMPMWWRNMIJETM-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1 ZINC001753789391 1440488657 /nfs/dbraw/zinc/48/86/57/1440488657.db2.gz YBSJQDWMPNTOCL-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753810953 1440492702 /nfs/dbraw/zinc/49/27/02/1440492702.db2.gz CWRVHKZISILEBI-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001753812539 1440493117 /nfs/dbraw/zinc/49/31/17/1440493117.db2.gz QOLSSUIGTAXHCG-CQQBRXBZSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753816584 1440494151 /nfs/dbraw/zinc/49/41/51/1440494151.db2.gz RVSQPUJXTUZPSQ-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1=CCCCC1 ZINC001753829697 1440499260 /nfs/dbraw/zinc/49/92/60/1440499260.db2.gz BFNFJWTTXFZGIN-SFHVURJKSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001753830598 1440499474 /nfs/dbraw/zinc/49/94/74/1440499474.db2.gz WEMLCYBWNRCAQP-KRWDZBQOSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855145 1440508488 /nfs/dbraw/zinc/50/84/88/1440508488.db2.gz MQJNRCPETPZHRD-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753901732 1440523533 /nfs/dbraw/zinc/52/35/33/1440523533.db2.gz LNRIQIOXKFHXLT-WOJBJXKFSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753965452 1440526516 /nfs/dbraw/zinc/52/65/16/1440526516.db2.gz BDXFVBALMCBNKR-QGZVFWFLSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H](CC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753992345 1440529223 /nfs/dbraw/zinc/52/92/23/1440529223.db2.gz FOTSOTICEOHQQV-IKGGRYGDSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001754010602 1440531287 /nfs/dbraw/zinc/53/12/87/1440531287.db2.gz YYAFZDRFUABDRR-QGZVFWFLSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001754022281 1440532712 /nfs/dbraw/zinc/53/27/12/1440532712.db2.gz YOWQJOPKZDHLGB-QUCCMNQESA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)(C)CCC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754120807 1440542797 /nfs/dbraw/zinc/54/27/97/1440542797.db2.gz WULJADLBOLNWAV-FPLPWBNLSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H](C[NH2+]CC1CCC(c2ccccc2)CC1)NC(=O)CC[NH+](C)C ZINC001754241648 1440555809 /nfs/dbraw/zinc/55/58/09/1440555809.db2.gz PIVWKWCAGDQASB-PGYGNJIDSA-N 2 0 345.531 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754330753 1440583756 /nfs/dbraw/zinc/58/37/56/1440583756.db2.gz NTQMPKJWRGCLDF-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001754335429 1440586168 /nfs/dbraw/zinc/58/61/68/1440586168.db2.gz COTSSBHQXDARNP-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCCC1 ZINC001754442232 1440599433 /nfs/dbraw/zinc/59/94/33/1440599433.db2.gz UOXSNCDWTJLWDH-LJQANCHMSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001754515903 1440618561 /nfs/dbraw/zinc/61/85/61/1440618561.db2.gz GIPJRALBTJTBKO-ROUUACIJSA-N 2 0 343.515 3.169 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001754543897 1440626781 /nfs/dbraw/zinc/62/67/81/1440626781.db2.gz IDMGYVUWTNJQEN-CEXWTWQISA-N 2 0 337.552 3.362 20 0 EGADRP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001754548961 1440629064 /nfs/dbraw/zinc/62/90/64/1440629064.db2.gz MJLCGJYCSCBKPB-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001754558637 1440633015 /nfs/dbraw/zinc/63/30/15/1440633015.db2.gz YDOFNHPWIKTHFD-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001754568952 1440636730 /nfs/dbraw/zinc/63/67/30/1440636730.db2.gz IJNGGCBAKZUMQW-VKUXZERMSA-N 2 0 347.547 3.143 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001754609998 1440643760 /nfs/dbraw/zinc/64/37/60/1440643760.db2.gz XMBXJBJBEVDMCX-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754677057 1440660552 /nfs/dbraw/zinc/66/05/52/1440660552.db2.gz YYLZCLDRVJXXDH-FXAWDEMLSA-N 2 0 337.552 3.268 20 0 EGADRP CC1CCC(C[NH2+]C[C@@]2(C)CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001754697516 1440667288 /nfs/dbraw/zinc/66/72/88/1440667288.db2.gz QVZUGFHMQXIAKS-WIXQSORDSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001754697042 1440667297 /nfs/dbraw/zinc/66/72/97/1440667297.db2.gz JNMJTMKGCPSDIO-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001754727762 1440677123 /nfs/dbraw/zinc/67/71/23/1440677123.db2.gz MRJWHIQIFONHQG-ICSRJNTNSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001754733723 1440681329 /nfs/dbraw/zinc/68/13/29/1440681329.db2.gz OJGAMBRSFUXVFW-VKEZQZQQSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754734481 1440681639 /nfs/dbraw/zinc/68/16/39/1440681639.db2.gz WJAPIOJWFUJUJJ-FQEVSTJZSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754866972 1440703069 /nfs/dbraw/zinc/70/30/69/1440703069.db2.gz GEHMCILZXIJKJK-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC1)C1CCCCC1 ZINC001754868759 1440704086 /nfs/dbraw/zinc/70/40/86/1440704086.db2.gz PUDAVQIXUXCEHB-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCCC3)C[C@H]21 ZINC001754874937 1440706411 /nfs/dbraw/zinc/70/64/11/1440706411.db2.gz ULQOUSQOHOZZRR-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001754944084 1440712384 /nfs/dbraw/zinc/71/23/84/1440712384.db2.gz BZSFGLDWOZPZEY-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001754958016 1440716907 /nfs/dbraw/zinc/71/69/07/1440716907.db2.gz YPISEJFDYRVAMY-MXVIHJGJSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027519 1440729500 /nfs/dbraw/zinc/72/95/00/1440729500.db2.gz BBHRDNCFKWXYSV-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001755031058 1440731258 /nfs/dbraw/zinc/73/12/58/1440731258.db2.gz MEOAPFWSSZAGCI-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC(CC)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001755039233 1440736311 /nfs/dbraw/zinc/73/63/11/1440736311.db2.gz MAMIGVLOAQTJGU-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001755073201 1440747418 /nfs/dbraw/zinc/74/74/18/1440747418.db2.gz KOLKFSFRXYRXFO-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001755079378 1440750416 /nfs/dbraw/zinc/75/04/16/1440750416.db2.gz IUNQFQQDNRQEKK-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755133130 1440757580 /nfs/dbraw/zinc/75/75/80/1440757580.db2.gz CZLKXBOQBDLBAC-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)CCC[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001755135893 1440758164 /nfs/dbraw/zinc/75/81/64/1440758164.db2.gz HICTYGDDGFRYEB-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCc1ccc(C[NH+]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C)cc1 ZINC001755167206 1440767466 /nfs/dbraw/zinc/76/74/66/1440767466.db2.gz LRDITSXRDUJUJC-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001755170845 1440768818 /nfs/dbraw/zinc/76/88/18/1440768818.db2.gz BWSNGEWVZHSUCD-HXUWFJFHSA-N 2 0 345.531 3.232 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001755204040 1440781528 /nfs/dbraw/zinc/78/15/28/1440781528.db2.gz FXOLHKDAAIADMD-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001755254897 1440792845 /nfs/dbraw/zinc/79/28/45/1440792845.db2.gz AHAKRZYIOXFHKA-QZTJIDSGSA-N 2 0 347.547 3.264 20 0 EGADRP CC(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001755289595 1440803466 /nfs/dbraw/zinc/80/34/66/1440803466.db2.gz POCUFEZSKGPFER-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001755366049 1440834341 /nfs/dbraw/zinc/83/43/41/1440834341.db2.gz JJPGZNKYJPPOGE-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001755367324 1440835375 /nfs/dbraw/zinc/83/53/75/1440835375.db2.gz FSMXNBKOEVLOTE-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001755415680 1440848518 /nfs/dbraw/zinc/84/85/18/1440848518.db2.gz KVALAGWDMVJERF-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001755480928 1440860172 /nfs/dbraw/zinc/86/01/72/1440860172.db2.gz ROMKBACYSDIPSM-CIYDVTBMSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCC(C)C)CC1 ZINC001755530561 1440867038 /nfs/dbraw/zinc/86/70/38/1440867038.db2.gz IMIRQIXMUCERFR-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001755561428 1440874594 /nfs/dbraw/zinc/87/45/94/1440874594.db2.gz UFRGUJABJMHTNI-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001755573484 1440877397 /nfs/dbraw/zinc/87/73/97/1440877397.db2.gz RVTLASIOESKFJQ-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001755618347 1440889585 /nfs/dbraw/zinc/88/95/85/1440889585.db2.gz KFEMXFANDLRVRQ-KRWDZBQOSA-N 2 0 347.547 3.261 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001755619070 1440889883 /nfs/dbraw/zinc/88/98/83/1440889883.db2.gz TXJYLPNHUXJCEO-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001755692307 1440896921 /nfs/dbraw/zinc/89/69/21/1440896921.db2.gz JKKBPEHORVVTCU-MOPGFXCFSA-N 2 0 345.531 3.031 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC001755701786 1440900505 /nfs/dbraw/zinc/90/05/05/1440900505.db2.gz RPRZGMXNUIPVPH-SVFBPWRDSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CC3(CCC3)C1)CC2 ZINC001755704393 1440901933 /nfs/dbraw/zinc/90/19/33/1440901933.db2.gz LCBWVTQLGJOXBP-RXVVDRJESA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001755749612 1440913005 /nfs/dbraw/zinc/91/30/05/1440913005.db2.gz LPXUNBCXDCWTRP-RTBURBONSA-N 2 0 345.531 3.018 20 0 EGADRP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001755766453 1440916349 /nfs/dbraw/zinc/91/63/49/1440916349.db2.gz KPIICOLGZDJUAT-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001755847971 1440933926 /nfs/dbraw/zinc/93/39/26/1440933926.db2.gz AHFRUFALKIFUCG-SQGPQFPESA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001755850594 1440934804 /nfs/dbraw/zinc/93/48/04/1440934804.db2.gz JBFPGMLIWXYCSQ-MSOLQXFVSA-N 2 0 339.568 3.226 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001755865568 1440937776 /nfs/dbraw/zinc/93/77/76/1440937776.db2.gz IUFKWLANXDSVKP-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001755865918 1440937792 /nfs/dbraw/zinc/93/77/92/1440937792.db2.gz WMWDKMSVXLVLCZ-SOAGJPPSSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1ccc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c1C ZINC001164856968 720950982 /nfs/dbraw/zinc/95/09/82/720950982.db2.gz DEZASXATDPQYHA-INIZCTEOSA-N 2 0 327.476 3.316 20 0 EGADRP Cn1ccnc1[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531159 168369106 /nfs/dbraw/zinc/36/91/06/168369106.db2.gz TYYMLWXISNIQDK-FPOVZHCZSA-N 2 0 338.499 3.373 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054241509 214226283 /nfs/dbraw/zinc/22/62/83/214226283.db2.gz AXQFBSJPAQKLSM-UKRRQHHQSA-N 2 0 325.294 3.312 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000261970746 290642884 /nfs/dbraw/zinc/64/28/84/290642884.db2.gz DAVSACPWOSQHIQ-HXUWFJFHSA-N 2 0 343.515 3.062 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+]2CC)cc1)C(C)C ZINC000101631678 219148048 /nfs/dbraw/zinc/14/80/48/219148048.db2.gz BKZOJKXPXBPFQW-IBGZPJMESA-N 2 0 331.504 3.131 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OCc1ccccc1 ZINC000181492005 234204516 /nfs/dbraw/zinc/20/45/16/234204516.db2.gz WYFKJIIJQIJNJH-UYAOXDASSA-N 2 0 342.483 3.069 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCS2 ZINC000187168253 236135479 /nfs/dbraw/zinc/13/54/79/236135479.db2.gz DLCPSJPYPODOSB-LJQANCHMSA-N 2 0 347.572 3.458 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000025408012 212479324 /nfs/dbraw/zinc/47/93/24/212479324.db2.gz OMRQJXQEKPEUJW-SFHVURJKSA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000193979723 240387304 /nfs/dbraw/zinc/38/73/04/240387304.db2.gz RNTQPDQFBNISCT-HSALFYBXSA-N 2 0 344.499 3.064 20 0 EGADRP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000376987312 242073497 /nfs/dbraw/zinc/07/34/97/242073497.db2.gz WRDRBKLQKLRXJQ-HNNXBMFYSA-N 2 0 339.524 3.286 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000236709094 242330204 /nfs/dbraw/zinc/33/02/04/242330204.db2.gz CFEPJQGJQAKCOE-IBGZPJMESA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)C1 ZINC000237472530 242655821 /nfs/dbraw/zinc/65/58/21/242655821.db2.gz SAFJIBALQLGSDO-IAGOWNOFSA-N 2 0 326.488 3.188 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1nccs1 ZINC000245547627 296123641 /nfs/dbraw/zinc/12/36/41/296123641.db2.gz XQSYXURDTAMWEN-AEFFLSMTSA-N 2 0 344.528 3.173 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119957365 284608834 /nfs/dbraw/zinc/60/88/34/284608834.db2.gz YALKQUUSTUZETP-JKSUJKDBSA-N 2 0 340.533 3.251 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093397556 218221466 /nfs/dbraw/zinc/22/14/66/218221466.db2.gz JEHPOFLTOLGFLR-LJQANCHMSA-N 2 0 333.520 3.072 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000093401396 218223631 /nfs/dbraw/zinc/22/36/31/218223631.db2.gz NQTHXFMRUOJESH-QGZVFWFLSA-N 2 0 344.528 3.396 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC000111068763 284754386 /nfs/dbraw/zinc/75/43/86/284754386.db2.gz OTAPZLCQKDOQTC-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(COC)o2)cc1 ZINC000268768709 252218819 /nfs/dbraw/zinc/21/88/19/252218819.db2.gz CWZQQSCJLPGDKS-UHFFFAOYSA-N 2 0 346.471 3.436 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000268928265 255497618 /nfs/dbraw/zinc/49/76/18/255497618.db2.gz WOTUPHMNEVRCJO-OAHLLOKOSA-N 2 0 336.476 3.009 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC(CC[NH+](C)C)CC3)cc(=O)oc2c1 ZINC000118868518 221199439 /nfs/dbraw/zinc/19/94/39/221199439.db2.gz ASJFKTFRZXVYHA-UHFFFAOYSA-N 2 0 328.456 3.265 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000178409412 533381598 /nfs/dbraw/zinc/38/15/98/533381598.db2.gz GQASGOUMASTPLP-MRXNPFEDSA-N 2 0 331.460 3.170 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000167620493 533323418 /nfs/dbraw/zinc/32/34/18/533323418.db2.gz HEUQEYIPVMXQNW-OAHLLOKOSA-N 2 0 325.456 3.005 20 0 EGADRP C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC[NH2+]C1 ZINC000237591249 141009163 /nfs/dbraw/zinc/00/91/63/141009163.db2.gz RLMCEFGAJRZDFY-OAQYLSRUSA-N 2 0 343.515 3.069 20 0 EGADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000246864514 141039375 /nfs/dbraw/zinc/03/93/75/141039375.db2.gz CQLVGNNCXHCXGG-ZSXPUABSSA-N 2 0 329.532 3.359 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246983314 141047663 /nfs/dbraw/zinc/04/76/63/141047663.db2.gz OZHLVIWPZODFQP-XJKSGUPXSA-N 2 0 332.879 3.143 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1(C)CCCCC1 ZINC000337912063 141071850 /nfs/dbraw/zinc/07/18/50/141071850.db2.gz KCDNOUOLMXHOQL-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000338033407 141077019 /nfs/dbraw/zinc/07/70/19/141077019.db2.gz WZYMLGCBYGBUQU-MRXNPFEDSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H](CC1CC1)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000344461623 141157979 /nfs/dbraw/zinc/15/79/79/141157979.db2.gz QYTVCJNKIJOXBT-IBGZPJMESA-N 2 0 329.532 3.363 20 0 EGADRP CC[N@H+](CCCC1CC[NH+](C[C@H]2CCCO2)CC1)C[C@@H]1CCCO1 ZINC000346456339 141198736 /nfs/dbraw/zinc/19/87/36/141198736.db2.gz OHINRIYXCKRUIP-VQTJNVASSA-N 2 0 338.536 3.159 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)C[NH+]1CCCCC1 ZINC000353452579 141299942 /nfs/dbraw/zinc/29/99/42/141299942.db2.gz CENYBGBNQJPXAS-IRXDYDNUSA-N 2 0 327.476 3.040 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000184504429 144093745 /nfs/dbraw/zinc/09/37/45/144093745.db2.gz JSERZDPCCJMWMB-SBHAEUEKSA-N 2 0 344.547 3.146 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C1CCSCC1 ZINC000187035447 144150465 /nfs/dbraw/zinc/15/04/65/144150465.db2.gz RMYHVSXAISGJQN-QGZVFWFLSA-N 2 0 347.572 3.055 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@H](COC)C2)CC1 ZINC000344883495 144236668 /nfs/dbraw/zinc/23/66/68/144236668.db2.gz CXAOEUKFOFOWMR-IBGZPJMESA-N 2 0 345.531 3.077 20 0 EGADRP Cc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000363887384 144374154 /nfs/dbraw/zinc/37/41/54/144374154.db2.gz KXEMSECZWMAINP-UHFFFAOYSA-N 2 0 329.532 3.153 20 0 EGADRP Cc1ccc2nc(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000341402134 155270907 /nfs/dbraw/zinc/27/09/07/155270907.db2.gz JOEPYFQFHOUAAL-LJQANCHMSA-N 2 0 334.467 3.254 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341492950 155322304 /nfs/dbraw/zinc/32/23/04/155322304.db2.gz FMNDDQVLLBROEX-IBGZPJMESA-N 2 0 344.547 3.290 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000120678688 152291775 /nfs/dbraw/zinc/29/17/75/152291775.db2.gz CVQFIPVIRHWAFV-BZSNNMDCSA-N 2 0 345.531 3.404 20 0 EGADRP CCN(C)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000190727657 153155928 /nfs/dbraw/zinc/15/59/28/153155928.db2.gz XTNGRQZKOLCDAJ-UHFFFAOYSA-N 2 0 338.499 3.423 20 0 EGADRP CCN(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000191579930 153207145 /nfs/dbraw/zinc/20/71/45/153207145.db2.gz KWRLNTFAACJLER-SJLPKXTDSA-N 2 0 330.520 3.280 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000192723282 153256492 /nfs/dbraw/zinc/25/64/92/153256492.db2.gz ZCMFSTHKAIQRPP-JOCHJYFZSA-N 2 0 343.559 3.500 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262318537 153810244 /nfs/dbraw/zinc/81/02/44/153810244.db2.gz DVQZIEDXEJLGAZ-PURRLQAKSA-N 2 0 349.563 3.157 20 0 EGADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000302942674 154032311 /nfs/dbraw/zinc/03/23/11/154032311.db2.gz JRMNERMROAAVEZ-KRWDZBQOSA-N 2 0 329.513 3.217 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000337403360 154334376 /nfs/dbraw/zinc/33/43/76/154334376.db2.gz RYYSZDQHUFFUBW-SZMVWBNQSA-N 2 0 332.488 3.160 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000337410250 154338161 /nfs/dbraw/zinc/33/81/61/154338161.db2.gz WMTUXWUVKRSPGE-CGTJXYLNSA-N 2 0 334.504 3.406 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000337494462 154381220 /nfs/dbraw/zinc/38/12/20/154381220.db2.gz XREOUXGRFWCLIA-MRXNPFEDSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000339926298 155035092 /nfs/dbraw/zinc/03/50/92/155035092.db2.gz OMZZRMVTPNDTNC-OAHLLOKOSA-N 2 0 336.439 3.194 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]21 ZINC000346845185 156161181 /nfs/dbraw/zinc/16/11/81/156161181.db2.gz ZSXDEFACSRYTKP-FHLIZLRMSA-N 2 0 330.863 3.085 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346849019 156163577 /nfs/dbraw/zinc/16/35/77/156163577.db2.gz GFHOXCSVAYFJQC-RCCFBDPRSA-N 2 0 332.488 3.433 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000346995427 156236918 /nfs/dbraw/zinc/23/69/18/156236918.db2.gz BYPCXLHIWCNWIK-KRWDZBQOSA-N 2 0 346.425 3.319 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347002264 156240766 /nfs/dbraw/zinc/24/07/66/156240766.db2.gz IMWDWLKTWAJVBN-GOSISDBHSA-N 2 0 334.467 3.457 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000365664664 157211067 /nfs/dbraw/zinc/21/10/67/157211067.db2.gz WJLNJLMRSGASQB-VQIMIIECSA-N 2 0 335.455 3.082 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372445782 157333748 /nfs/dbraw/zinc/33/37/48/157333748.db2.gz LESPNWSUGDWDAZ-ICSRJNTNSA-N 2 0 327.472 3.001 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+](C)C ZINC000112673509 162185115 /nfs/dbraw/zinc/18/51/15/162185115.db2.gz OBQUAHMKVHOSSC-FQEVSTJZSA-N 2 0 345.531 3.265 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000123878219 162257934 /nfs/dbraw/zinc/25/79/34/162257934.db2.gz PPJHXOLNNGLQQJ-QUCCMNQESA-N 2 0 345.531 3.278 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000125362500 162271449 /nfs/dbraw/zinc/27/14/49/162271449.db2.gz GWIYVWLVKJHCQX-UHFFFAOYSA-N 2 0 347.522 3.154 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000248969026 163048270 /nfs/dbraw/zinc/04/82/70/163048270.db2.gz CDDWWRIFZWHSCO-VQTJNVASSA-N 2 0 328.500 3.456 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]21 ZINC000342091852 163782895 /nfs/dbraw/zinc/78/28/95/163782895.db2.gz CXRKVVKJGAACOX-HLAWJBBLSA-N 2 0 337.467 3.220 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000342428185 163877129 /nfs/dbraw/zinc/87/71/29/163877129.db2.gz ZXRHFCRHNCOJPC-VQTJNVASSA-N 2 0 339.483 3.305 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c3cccnc23)C[C@H](C)O1 ZINC000343779817 164033621 /nfs/dbraw/zinc/03/36/21/164033621.db2.gz KZEWNSJNIQICQW-HOTGVXAUSA-N 2 0 345.462 3.353 20 0 EGADRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000343817063 164041861 /nfs/dbraw/zinc/04/18/61/164041861.db2.gz UTHAPBRDVFMDAZ-GASCZTMLSA-N 2 0 340.895 3.328 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000343928881 164067583 /nfs/dbraw/zinc/06/75/83/164067583.db2.gz KPNXBXOLWSHZMV-MRXNPFEDSA-N 2 0 331.485 3.251 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000344000228 164080246 /nfs/dbraw/zinc/08/02/46/164080246.db2.gz WIFDFFUANJPWCE-FQEVSTJZSA-N 2 0 340.471 3.048 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345326873 164203126 /nfs/dbraw/zinc/20/31/26/164203126.db2.gz WDZHDVFJSSNSAF-IBGZPJMESA-N 2 0 336.907 3.475 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000345849490 164278820 /nfs/dbraw/zinc/27/88/20/164278820.db2.gz MNPDYKQNJISBFH-HXUWFJFHSA-N 2 0 343.515 3.080 20 0 EGADRP COC(C)(C)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000346422958 164384302 /nfs/dbraw/zinc/38/43/02/164384302.db2.gz BWRXBOLNYWLRTR-IAGOWNOFSA-N 2 0 326.525 3.013 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346563850 164397999 /nfs/dbraw/zinc/39/79/99/164397999.db2.gz RMYFUZMCMDUWRI-PMACEKPBSA-N 2 0 345.462 3.257 20 0 EGADRP C[N@H+](CCOc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354875124 166053394 /nfs/dbraw/zinc/05/33/94/166053394.db2.gz KIJORJMUHHCCMS-UHFFFAOYSA-N 2 0 343.446 3.448 20 0 EGADRP COCCOCc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000347635541 164535592 /nfs/dbraw/zinc/53/55/92/164535592.db2.gz HCZWDNGDGWDGOL-UHFFFAOYSA-N 2 0 334.504 3.013 20 0 EGADRP C[C@H](CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000354939801 166069835 /nfs/dbraw/zinc/06/98/35/166069835.db2.gz XIAVFQBXURDEGQ-QGZVFWFLSA-N 2 0 346.519 3.033 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350143733 165010464 /nfs/dbraw/zinc/01/04/64/165010464.db2.gz AJWUMLMIRIEHAB-UHFFFAOYSA-N 2 0 344.478 3.402 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1OC(F)F ZINC000350147247 165011658 /nfs/dbraw/zinc/01/16/58/165011658.db2.gz OHBAYHKXJNCHTI-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP CCN(C[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1)CC(F)(F)F ZINC000351327387 165097004 /nfs/dbraw/zinc/09/70/04/165097004.db2.gz KVJXCJIHUGJDPJ-HZPDHXFCSA-N 2 0 335.458 3.067 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+]2CC)cc1)C1CC1 ZINC000352336385 165350785 /nfs/dbraw/zinc/35/07/85/165350785.db2.gz RGYMHGNUONUSTQ-HXUWFJFHSA-N 2 0 343.515 3.227 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000355053667 166094171 /nfs/dbraw/zinc/09/41/71/166094171.db2.gz GCQWQEBGSWAJRT-KRWDZBQOSA-N 2 0 345.531 3.138 20 0 EGADRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1SC ZINC000353229681 165684050 /nfs/dbraw/zinc/68/40/50/165684050.db2.gz ROODGHKJJUFNFR-UHFFFAOYSA-N 2 0 340.558 3.334 20 0 EGADRP Cc1cc(N2CCC([NH2+]CCO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000357488929 166693335 /nfs/dbraw/zinc/69/33/35/166693335.db2.gz UMZCIIHXGSCAFT-UHFFFAOYSA-N 2 0 333.863 3.056 20 0 EGADRP C[C@H]1C[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH2+]1 ZINC000358695351 166936562 /nfs/dbraw/zinc/93/65/62/166936562.db2.gz SPKIZLTVJYEFSR-FUHWJXTLSA-N 2 0 329.488 3.042 20 0 EGADRP COc1ccccc1C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000359195395 167092280 /nfs/dbraw/zinc/09/22/80/167092280.db2.gz SKBCKMXLWGBLLY-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP CCN(CC)c1ncc(CN(CCC[NH3+])Cc2ccccc2)s1 ZINC000359459283 167162678 /nfs/dbraw/zinc/16/26/78/167162678.db2.gz NSUZWENTRFBLAR-UHFFFAOYSA-N 2 0 332.517 3.340 20 0 EGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000359549499 167189099 /nfs/dbraw/zinc/18/90/99/167189099.db2.gz WOLMGXOIJPPBRH-CRAIPNDOSA-N 2 0 343.471 3.200 20 0 EGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000359555638 167192182 /nfs/dbraw/zinc/19/21/82/167192182.db2.gz KWIYTLPUNODCRX-CRAIPNDOSA-N 2 0 343.471 3.200 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000359867340 167253294 /nfs/dbraw/zinc/25/32/94/167253294.db2.gz BWKMXYFQXITTLV-FUHWJXTLSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000359883406 167257270 /nfs/dbraw/zinc/25/72/70/167257270.db2.gz LRGGYSDPCBNDNY-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000362523876 167784553 /nfs/dbraw/zinc/78/45/53/167784553.db2.gz WOSMKHQXNBVBTO-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000366921946 168157495 /nfs/dbraw/zinc/15/74/95/168157495.db2.gz LGSUDXWQPVITBW-CQSZACIVSA-N 2 0 339.361 3.351 20 0 EGADRP C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cnn(Cc2ccccc2)c1 ZINC000367440060 168226249 /nfs/dbraw/zinc/22/62/49/168226249.db2.gz ZHIYYDZVCRGDOQ-INIZCTEOSA-N 2 0 335.455 3.315 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000367625243 168252191 /nfs/dbraw/zinc/25/21/91/168252191.db2.gz XLHCVMUNXABDJB-SQNIBIBYSA-N 2 0 349.519 3.016 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851065 168277556 /nfs/dbraw/zinc/27/75/56/168277556.db2.gz UDOGLLJJYIBIGX-SFHVURJKSA-N 2 0 333.382 3.147 20 0 EGADRP C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000123583298 222300892 /nfs/dbraw/zinc/30/08/92/222300892.db2.gz VLLYODQVSWFXBS-OXJNMPFZSA-N 2 0 328.456 3.011 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)ccc1OC(F)F ZINC000124146387 222382215 /nfs/dbraw/zinc/38/22/15/222382215.db2.gz GIFWQSUVMYGHLI-CQSZACIVSA-N 2 0 328.403 3.118 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164731323 264924844 /nfs/dbraw/zinc/92/48/44/264924844.db2.gz DJBWIJHCZMIBBA-WOJBJXKFSA-N 2 0 343.515 3.196 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000179475116 265380236 /nfs/dbraw/zinc/38/02/36/265380236.db2.gz CZNSGDWKDCKPLC-GNAXCBTBSA-N 2 0 333.907 3.065 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000180206704 265398492 /nfs/dbraw/zinc/39/84/92/265398492.db2.gz GEXIHEOEHWKLBY-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000180464711 265403148 /nfs/dbraw/zinc/40/31/48/265403148.db2.gz LALTZILJWJNZIV-IEBWSBKVSA-N 2 0 335.561 3.029 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236877454 266218956 /nfs/dbraw/zinc/21/89/56/266218956.db2.gz FHJOWQVQEBFLNY-OALUTQOASA-N 2 0 331.504 3.052 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000237888741 266248805 /nfs/dbraw/zinc/24/88/05/266248805.db2.gz DLHHIHISIKVQGA-RTBURBONSA-N 2 0 335.536 3.197 20 0 EGADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000258975424 266264444 /nfs/dbraw/zinc/26/44/44/266264444.db2.gz KPFFSQHENMRXIG-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274884337 267302141 /nfs/dbraw/zinc/30/21/41/267302141.db2.gz IBLPTXFZOZWVSS-HQRMLTQVSA-N 2 0 344.524 3.456 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274900640 267304088 /nfs/dbraw/zinc/30/40/88/267304088.db2.gz LDSWFPSGEAUCBA-ZNMIVQPWSA-N 2 0 325.884 3.275 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274948797 267310328 /nfs/dbraw/zinc/31/03/28/267310328.db2.gz UUSJSNXWZXZZKN-OSTWSGHESA-N 2 0 328.500 3.444 20 0 EGADRP C[C@H]([NH2+]CCc1cn2ccccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274950310 267310776 /nfs/dbraw/zinc/31/07/76/267310776.db2.gz UZVBCWPXAFYZSD-AZUAARDMSA-N 2 0 348.494 3.377 20 0 EGADRP C[C@H]([NH2+]CCCNc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274974817 267314055 /nfs/dbraw/zinc/31/40/55/267314055.db2.gz YLMHNZOONYRMJL-AZUAARDMSA-N 2 0 338.499 3.384 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278460907 268018892 /nfs/dbraw/zinc/01/88/92/268018892.db2.gz JCMPRIULDNIWBT-JXFKEZNVSA-N 2 0 332.488 3.163 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278486673 268024153 /nfs/dbraw/zinc/02/41/53/268024153.db2.gz PFYCEAQJWDVEIY-OAHLLOKOSA-N 2 0 330.472 3.200 20 0 EGADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261985016 274003167 /nfs/dbraw/zinc/00/31/67/274003167.db2.gz RSZSMNNCZGVXQA-QGZVFWFLSA-N 2 0 336.863 3.091 20 0 EGADRP CSC1(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)CC[NH+](C)CC1 ZINC000353192550 274174757 /nfs/dbraw/zinc/17/47/57/274174757.db2.gz MHQXSKPNAOJGPF-MJGOQNOKSA-N 2 0 347.572 3.239 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127574721 274491854 /nfs/dbraw/zinc/49/18/54/274491854.db2.gz ZSIJFGIFMXUTIU-BEFAXECRSA-N 2 0 335.923 3.333 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000246361130 275052931 /nfs/dbraw/zinc/05/29/31/275052931.db2.gz ILPCMPRCHHQWNY-SLFFLAALSA-N 2 0 332.463 3.171 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195186519 275231224 /nfs/dbraw/zinc/23/12/24/275231224.db2.gz YOPSCTNJTXXBFC-IBGZPJMESA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)c2ccccc21 ZINC000278852377 275280990 /nfs/dbraw/zinc/28/09/90/275280990.db2.gz VSBRRAMFSDGBMM-UIFIKXQLSA-N 2 0 329.532 3.487 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000279899109 275372665 /nfs/dbraw/zinc/37/26/65/275372665.db2.gz JGKQAXYWQSBVLR-KVPLUYHFSA-N 2 0 345.531 3.256 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352056451 276044004 /nfs/dbraw/zinc/04/40/04/276044004.db2.gz CNYQAMJXHWIGIO-UXHICEINSA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000349723173 276100044 /nfs/dbraw/zinc/10/00/44/276100044.db2.gz QSGNVDHHRZKEOE-FQEVSTJZSA-N 2 0 346.515 3.337 20 0 EGADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287764486 276155004 /nfs/dbraw/zinc/15/50/04/276155004.db2.gz RDLYYPZCFLACSZ-DOMZBBRYSA-N 2 0 327.350 3.044 20 0 EGADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000287925516 276169621 /nfs/dbraw/zinc/16/96/21/276169621.db2.gz WLIGLKZDEWJLMM-RBUKOAKNSA-N 2 0 336.907 3.194 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](COC)C2CC2)CC1 ZINC000127300073 276202896 /nfs/dbraw/zinc/20/28/96/276202896.db2.gz XUTYPZGBRFTHEG-DNVCBOLYSA-N 2 0 349.494 3.043 20 0 EGADRP COCCOCc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000289051416 276284019 /nfs/dbraw/zinc/28/40/19/276284019.db2.gz AHDDTZVDEOJFBZ-SFHVURJKSA-N 2 0 334.504 3.061 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc([C@H](C)O)s2)cc1 ZINC000289221510 276306363 /nfs/dbraw/zinc/30/63/63/276306363.db2.gz JJVXQMRLOCFLQE-AWEZNQCLSA-N 2 0 333.501 3.328 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc4ccccc4c3)CC2)CC1 ZINC000289503352 276349095 /nfs/dbraw/zinc/34/90/95/276349095.db2.gz TXPCIVSXTXXCLT-UHFFFAOYSA-N 2 0 337.511 3.299 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1OC1CCCC1 ZINC000289509656 276350058 /nfs/dbraw/zinc/35/00/58/276350058.db2.gz UMXYFJCJUPSWRE-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc2nccn21 ZINC000289539831 276354886 /nfs/dbraw/zinc/35/48/86/276354886.db2.gz WSXNFYPFAZORCC-IBGZPJMESA-N 2 0 349.482 3.216 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1nccc2ccccc21 ZINC000289544881 276355948 /nfs/dbraw/zinc/35/59/48/276355948.db2.gz BUJLPBQAQHUFAO-FUHWJXTLSA-N 2 0 327.472 3.122 20 0 EGADRP COC(=O)CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000289707148 276381352 /nfs/dbraw/zinc/38/13/52/276381352.db2.gz GLPOVBUCFKJQQK-HSALFYBXSA-N 2 0 344.499 3.220 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000290420759 276493298 /nfs/dbraw/zinc/49/32/98/276493298.db2.gz USDCPAPOXLEJMQ-JXFKEZNVSA-N 2 0 340.515 3.161 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000186565304 277564276 /nfs/dbraw/zinc/56/42/76/277564276.db2.gz HHOBIVANNIPNJT-GJZGRUSLSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc(Br)cc1F ZINC000187166120 278343135 /nfs/dbraw/zinc/34/31/35/278343135.db2.gz BCDBMDGLLVJOBH-LLVKDONJSA-N 2 0 344.272 3.366 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000174560439 279044841 /nfs/dbraw/zinc/04/48/41/279044841.db2.gz WPXWXMKJFHCPHG-QUCCMNQESA-N 2 0 343.515 3.014 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517977 288102314 /nfs/dbraw/zinc/10/23/14/288102314.db2.gz FKCXTDCYWDASPV-WICCELJUSA-N 2 0 347.469 3.110 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[NH+]1CCCCC1 ZINC000354281167 280174395 /nfs/dbraw/zinc/17/43/95/280174395.db2.gz JJOPMEJXAZAWTF-RTBURBONSA-N 2 0 349.494 3.055 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000236674562 282071631 /nfs/dbraw/zinc/07/16/31/282071631.db2.gz OLPJKDFPRNPVGH-GOSISDBHSA-N 2 0 331.504 3.013 20 0 EGADRP COc1ccccc1[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000091334713 295385928 /nfs/dbraw/zinc/38/59/28/295385928.db2.gz RZNZNTJSIAZCPD-UWJYYQICSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237560408 297228312 /nfs/dbraw/zinc/22/83/12/297228312.db2.gz QSLCOIMLZAKHAS-GPMSIDNRSA-N 2 0 345.531 3.154 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCS2 ZINC000187182211 301444423 /nfs/dbraw/zinc/44/44/23/301444423.db2.gz NLKHUXOJRVQWKY-WMZOPIPTSA-N 2 0 333.545 3.066 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000068722696 307371959 /nfs/dbraw/zinc/37/19/59/307371959.db2.gz SVKBIVSYKQKCPF-CQSZACIVSA-N 2 0 328.403 3.118 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000073554482 307386720 /nfs/dbraw/zinc/38/67/20/307386720.db2.gz MWINWDGEODSHLV-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000414191390 309065900 /nfs/dbraw/zinc/06/59/00/309065900.db2.gz RWADOOYMOKKBHO-PWIZWCRZSA-N 2 0 344.499 3.490 20 0 EGADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414337589 309073791 /nfs/dbraw/zinc/07/37/91/309073791.db2.gz DQNUQVZVWIGVBW-ZTFGCOKTSA-N 2 0 329.463 3.465 20 0 EGADRP C[C@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248540130 308005318 /nfs/dbraw/zinc/00/53/18/308005318.db2.gz BDCPHUGGDOMAGZ-LXZJYRNTSA-N 2 0 349.563 3.266 20 0 EGADRP COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248648986 308008593 /nfs/dbraw/zinc/00/85/93/308008593.db2.gz VDXWFRSXFWLYPD-RHSMWYFYSA-N 2 0 346.496 3.174 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248984910 308016193 /nfs/dbraw/zinc/01/61/93/308016193.db2.gz JREYLVSPLPEKGR-IEZWGBDMSA-N 2 0 334.479 3.429 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292997971 308088438 /nfs/dbraw/zinc/08/84/38/308088438.db2.gz OPCXNDYAGYLGFK-HNAYVOBHSA-N 2 0 326.444 3.215 20 0 EGADRP Oc1ccc(F)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000293643968 308148946 /nfs/dbraw/zinc/14/89/46/308148946.db2.gz OEDZGMFFRJRRDI-UHFFFAOYSA-N 2 0 333.382 3.072 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCN[C@@H](c2nc[nH]n2)c2ccc(F)cc2)C1 ZINC000293670230 308151167 /nfs/dbraw/zinc/15/11/67/308151167.db2.gz JRXZUESHZBQLPX-CRAIPNDOSA-N 2 0 345.466 3.135 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000294793735 308257827 /nfs/dbraw/zinc/25/78/27/308257827.db2.gz OQTCWOOYXFBCLE-FQEVSTJZSA-N 2 0 339.483 3.153 20 0 EGADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921580 308271840 /nfs/dbraw/zinc/27/18/40/308271840.db2.gz FRIRQLNZOMNTID-HHXCZETCSA-N 2 0 327.516 3.112 20 0 EGADRP CCOc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)c1OC ZINC000294978250 308278391 /nfs/dbraw/zinc/27/83/91/308278391.db2.gz JOBWIBCETJBYLZ-GOOCMWNKSA-N 2 0 338.879 3.462 20 0 EGADRP CSc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000295053634 308285869 /nfs/dbraw/zinc/28/58/69/308285869.db2.gz QMXICCLGONCIOW-SCTDSRPQSA-N 2 0 333.545 3.228 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CSC[C@H]3C)CC2)cc1 ZINC000295189094 308300720 /nfs/dbraw/zinc/30/07/20/308300720.db2.gz NUJBAHRMZDSPCT-BEFAXECRSA-N 2 0 334.529 3.248 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414716125 309096977 /nfs/dbraw/zinc/09/69/77/309096977.db2.gz ZJPDNCZMVIZGIS-JSGCOSHPSA-N 2 0 331.287 3.176 20 0 EGADRP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414686139 309095375 /nfs/dbraw/zinc/09/53/75/309095375.db2.gz FLDZETXCDHINTA-HQRMLTQVSA-N 2 0 332.488 3.064 20 0 EGADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414751105 309098769 /nfs/dbraw/zinc/09/87/69/309098769.db2.gz ZSPZFAVNIVRTMW-KZNAEPCWSA-N 2 0 331.504 3.422 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cs1 ZINC000297507125 308540657 /nfs/dbraw/zinc/54/06/57/308540657.db2.gz CIOZAYVLAJMXEK-OAHLLOKOSA-N 2 0 345.512 3.199 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000414765765 309099420 /nfs/dbraw/zinc/09/94/20/309099420.db2.gz CJJQSQLPWQKGML-MSOLQXFVSA-N 2 0 340.870 3.240 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775211 309100074 /nfs/dbraw/zinc/10/00/74/309100074.db2.gz GHMGZVALZGPIGI-GJZGRUSLSA-N 2 0 328.435 3.037 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC12CCOCC2 ZINC000414773153 309099896 /nfs/dbraw/zinc/09/98/96/309099896.db2.gz DBODIVAEEYSQDU-AWEZNQCLSA-N 2 0 340.870 3.099 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000414776662 309100222 /nfs/dbraw/zinc/10/02/22/309100222.db2.gz HIOCXARPMZEYBZ-KGLIPLIRSA-N 2 0 340.414 3.118 20 0 EGADRP Fc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779912 309100640 /nfs/dbraw/zinc/10/06/40/309100640.db2.gz KXAQDUGHTMYNGU-STQMWFEESA-N 2 0 341.268 3.410 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783235 309100730 /nfs/dbraw/zinc/10/07/30/309100730.db2.gz PRSZYGLLJDJRTI-DLBZAZTESA-N 2 0 331.479 3.247 20 0 EGADRP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414783148 309100872 /nfs/dbraw/zinc/10/08/72/309100872.db2.gz PKYGXQLSGJRLTR-HZPDHXFCSA-N 2 0 342.405 3.449 20 0 EGADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298020313 308579133 /nfs/dbraw/zinc/57/91/33/308579133.db2.gz DOHXPKCPZLCMGC-RXVVDRJESA-N 2 0 337.467 3.418 20 0 EGADRP CCOc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1OC ZINC000298260360 308598300 /nfs/dbraw/zinc/59/83/00/308598300.db2.gz FLOBIFXLWGNVMG-UHFFFAOYSA-N 2 0 341.455 3.248 20 0 EGADRP CC(C)CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796880 309102169 /nfs/dbraw/zinc/10/21/69/309102169.db2.gz XTYKEASRPYWASX-IBGZPJMESA-N 2 0 346.515 3.299 20 0 EGADRP COc1sc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000414799578 309102203 /nfs/dbraw/zinc/10/22/03/309102203.db2.gz KCUJDICQZIDPNK-CABZTGNLSA-N 2 0 333.295 3.126 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000303784743 308755130 /nfs/dbraw/zinc/75/51/30/308755130.db2.gz HGFIEDKCQUUIIS-ROUUACIJSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414844911 309105200 /nfs/dbraw/zinc/10/52/00/309105200.db2.gz DFVNAMUMKVXSBK-JKSUJKDBSA-N 2 0 335.923 3.282 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000348684391 308883818 /nfs/dbraw/zinc/88/38/18/308883818.db2.gz PKIKLBNSVPFWJQ-HZPDHXFCSA-N 2 0 343.471 3.442 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400468148 308907543 /nfs/dbraw/zinc/90/75/43/308907543.db2.gz WVJHAKYDHOTJFQ-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000414915205 309109014 /nfs/dbraw/zinc/10/90/14/309109014.db2.gz ZATJMORVOYYNRL-AWEZNQCLSA-N 2 0 337.895 3.345 20 0 EGADRP C[C@H](C[NH3+])N[C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414934184 309109930 /nfs/dbraw/zinc/10/99/30/309109930.db2.gz VBKZSKSSZLPFNB-NEPJUHHUSA-N 2 0 337.261 3.306 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)cc2)cs1 ZINC000414936071 309110122 /nfs/dbraw/zinc/11/01/22/309110122.db2.gz GOIWEOIILBEXMY-ACJLOTCBSA-N 2 0 331.485 3.118 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)cc2)cs1 ZINC000414955401 309111332 /nfs/dbraw/zinc/11/13/32/309111332.db2.gz UGFSTICVZJVRDX-XJKSGUPXSA-N 2 0 331.485 3.261 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414969697 309112226 /nfs/dbraw/zinc/11/22/26/309112226.db2.gz JHBSQAVTTKFACJ-LSDHHAIUSA-N 2 0 337.895 3.487 20 0 EGADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414973359 309112311 /nfs/dbraw/zinc/11/23/11/309112311.db2.gz ZJHGCRIRNRQDOC-GOSISDBHSA-N 2 0 346.519 3.210 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000414998617 309113489 /nfs/dbraw/zinc/11/34/89/309113489.db2.gz IIFHHNNFNQEERV-XIYVOTBMSA-N 2 0 327.516 3.004 20 0 EGADRP Cc1ccc(CCC[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000415005059 309113774 /nfs/dbraw/zinc/11/37/74/309113774.db2.gz OQXFEDSDGHQRSY-TZIWHRDSSA-N 2 0 341.474 3.445 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415013455 309114316 /nfs/dbraw/zinc/11/43/16/309114316.db2.gz KXLIFJHCOKOLGX-KGLIPLIRSA-N 2 0 325.884 3.473 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000415019949 309114668 /nfs/dbraw/zinc/11/46/68/309114668.db2.gz FQKCHOYQUQESPR-HAQNSBGRSA-N 2 0 329.257 3.443 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415029131 309115362 /nfs/dbraw/zinc/11/53/62/309115362.db2.gz DIINNWITOUOVAB-OCCSQVGLSA-N 2 0 346.393 3.243 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415048304 309116503 /nfs/dbraw/zinc/11/65/03/309116503.db2.gz WTHDLDHUONVERD-RBUKOAKNSA-N 2 0 326.488 3.074 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415054851 309116977 /nfs/dbraw/zinc/11/69/77/309116977.db2.gz NVXFFLSTTNFHRL-IBGZPJMESA-N 2 0 326.488 3.496 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415076513 309118500 /nfs/dbraw/zinc/11/85/00/309118500.db2.gz CSABBXFKQSZFGA-IKVWTGGYSA-N 2 0 346.515 3.290 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000415078097 309118723 /nfs/dbraw/zinc/11/87/23/309118723.db2.gz IGRYYUDSRWPOPP-RCCFBDPRSA-N 2 0 346.515 3.492 20 0 EGADRP C[C@H]1C[C@H](C[NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC000415079306 309118796 /nfs/dbraw/zinc/11/87/96/309118796.db2.gz JVIHDWROOXPZBS-JKSUJKDBSA-N 2 0 336.907 3.366 20 0 EGADRP C[C@@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]C1 ZINC000415082927 309119043 /nfs/dbraw/zinc/11/90/43/309119043.db2.gz PBEAIUJESDWTCQ-OAQYLSRUSA-N 2 0 347.466 3.024 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H](C)C[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000415094979 309119909 /nfs/dbraw/zinc/11/99/09/309119909.db2.gz YJBCHQVEAWFJMN-IEBWSBKVSA-N 2 0 346.515 3.254 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000415110558 309120975 /nfs/dbraw/zinc/12/09/75/309120975.db2.gz POCPEVLXBARSAI-BQBOZMAXSA-N 2 0 336.426 3.196 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415111065 309121001 /nfs/dbraw/zinc/12/10/01/309121001.db2.gz BODMJGWROODXBL-YLJYHZDGSA-N 2 0 326.488 3.332 20 0 EGADRP CCn1c2ccccc2c2cc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)ccc21 ZINC000415115050 309121328 /nfs/dbraw/zinc/12/13/28/309121328.db2.gz TXIZNKHXVKEPOR-QGZVFWFLSA-N 2 0 337.467 3.364 20 0 EGADRP C[NH2+]CCCN(C)Cc1cc(Br)ccc1OC(F)F ZINC000415124832 309122052 /nfs/dbraw/zinc/12/20/52/309122052.db2.gz CRCSOZKJGBSWFU-UHFFFAOYSA-N 2 0 337.208 3.092 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)ccc21 ZINC000415795831 309144080 /nfs/dbraw/zinc/14/40/80/309144080.db2.gz XOIRKRINSVXRAC-MOPGFXCFSA-N 2 0 344.503 3.265 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000415907364 309147450 /nfs/dbraw/zinc/14/74/50/309147450.db2.gz MOMBLBVZVLUGKG-UHFFFAOYSA-N 2 0 332.492 3.134 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000415909357 309147850 /nfs/dbraw/zinc/14/78/50/309147850.db2.gz SUVDYELMLDUSMZ-SFHVURJKSA-N 2 0 332.492 3.182 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000415956845 309151186 /nfs/dbraw/zinc/15/11/86/309151186.db2.gz OUSMFUOQAIDLAM-GOSISDBHSA-N 2 0 344.503 3.182 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415970150 309151844 /nfs/dbraw/zinc/15/18/44/309151844.db2.gz HHSXBAIETQXYMB-MRXNPFEDSA-N 2 0 332.492 3.040 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973637 309152231 /nfs/dbraw/zinc/15/22/31/309152231.db2.gz PDBKTWRQOPEBAJ-SFHVURJKSA-N 2 0 332.492 3.182 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000416147688 309160961 /nfs/dbraw/zinc/16/09/61/309160961.db2.gz RSABZUANDRLNLP-VQTJNVASSA-N 2 0 343.515 3.156 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416152419 309161091 /nfs/dbraw/zinc/16/10/91/309161091.db2.gz WZKUTFKVQIZRCD-HXUWFJFHSA-N 2 0 339.483 3.422 20 0 EGADRP [NH3+]Cc1cc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000417824367 309224201 /nfs/dbraw/zinc/22/42/01/309224201.db2.gz LOGOIOUWWGYYLS-RISCZKNCSA-N 2 0 329.366 3.010 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000417848346 309224971 /nfs/dbraw/zinc/22/49/71/309224971.db2.gz BINYQAIBVRDAQZ-MAUKXSAKSA-N 2 0 348.535 3.085 20 0 EGADRP C[C@@H](CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000418011502 309231691 /nfs/dbraw/zinc/23/16/91/309231691.db2.gz WXCUFRLYOJNDRN-PKOBYXMFSA-N 2 0 346.519 3.030 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420286182 309279335 /nfs/dbraw/zinc/27/93/35/309279335.db2.gz FTSISYFFVWAAQG-UONOGXRCSA-N 2 0 330.428 3.169 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2c3ccccc3sc2C(=O)OC)CC1 ZINC000420296075 309279830 /nfs/dbraw/zinc/27/98/30/309279830.db2.gz PUSWLBJWKCFYAI-UHFFFAOYSA-N 2 0 332.469 3.119 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccc2OC)C2CC2)cc1 ZINC000420298718 309280179 /nfs/dbraw/zinc/28/01/79/309280179.db2.gz FWPSCAFISKRZAO-GOSISDBHSA-N 2 0 340.467 3.411 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CCC[NH2+]C1 ZINC000420299062 309280284 /nfs/dbraw/zinc/28/02/84/309280284.db2.gz GEQHKNNSERDRTR-KRWDZBQOSA-N 2 0 326.488 3.331 20 0 EGADRP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1OC ZINC000420300375 309280318 /nfs/dbraw/zinc/28/03/18/309280318.db2.gz KFAFHQYAXIMDLZ-MOPGFXCFSA-N 2 0 346.515 3.491 20 0 EGADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420306857 309280692 /nfs/dbraw/zinc/28/06/92/309280692.db2.gz BCIXKCRSFMLIFW-KSSFIOAISA-N 2 0 330.863 3.151 20 0 EGADRP c1ccc(C(c2ccccc2)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420308063 309280949 /nfs/dbraw/zinc/28/09/49/309280949.db2.gz RXNFANPMUSRTHP-FQEVSTJZSA-N 2 0 349.522 3.393 20 0 EGADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000420319944 309281778 /nfs/dbraw/zinc/28/17/78/309281778.db2.gz PQMIQLHXZSIOJT-JECHBYEQSA-N 2 0 343.298 3.273 20 0 EGADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000420319257 309281916 /nfs/dbraw/zinc/28/19/16/309281916.db2.gz OZMXCGOTNZXPQJ-KGLIPLIRSA-N 2 0 330.863 3.275 20 0 EGADRP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420325166 309282356 /nfs/dbraw/zinc/28/23/56/309282356.db2.gz CPWLTLQQAPDMIZ-LQAWEQHXSA-N 2 0 326.843 3.368 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCc2cccc3ccccc32)CC12CCOCC2 ZINC000420331451 309282656 /nfs/dbraw/zinc/28/26/56/309282656.db2.gz QUNOYRQZTUBJJO-FQEVSTJZSA-N 2 0 338.495 3.460 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000420335255 309282919 /nfs/dbraw/zinc/28/29/19/309282919.db2.gz PNLFKPKRIYNHPH-SJORKVTESA-N 2 0 340.920 3.260 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336662 309282938 /nfs/dbraw/zinc/28/29/38/309282938.db2.gz IZADOGIBMDCONK-ZWKOTPCHSA-N 2 0 343.515 3.378 20 0 EGADRP CCC[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420337107 309282957 /nfs/dbraw/zinc/28/29/57/309282957.db2.gz JKSLLBBDCLLXLW-PMACEKPBSA-N 2 0 343.515 3.108 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336961 309282978 /nfs/dbraw/zinc/28/29/78/309282978.db2.gz MSTRFUWIOMYPHZ-MAUKXSAKSA-N 2 0 329.488 3.040 20 0 EGADRP FC(F)Oc1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364556 309284285 /nfs/dbraw/zinc/28/42/85/309284285.db2.gz RERPUTPVWVFDPP-RHSMWYFYSA-N 2 0 340.414 3.051 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c2ccccc2n1 ZINC000420396316 309286298 /nfs/dbraw/zinc/28/62/98/309286298.db2.gz VQGXCGPEDPNCJQ-NQIIRXRSSA-N 2 0 339.483 3.262 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3ccsc3)CC2)CC1 ZINC000420972952 309305516 /nfs/dbraw/zinc/30/55/16/309305516.db2.gz BQGNIJNSBDKTCH-UHFFFAOYSA-N 2 0 335.561 3.173 20 0 EGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CCOc1ccccc1C ZINC000420974947 309305524 /nfs/dbraw/zinc/30/55/24/309305524.db2.gz PNSJEWHFTJGDHQ-UHFFFAOYSA-N 2 0 347.547 3.112 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CN(Cc2ccccc2)C1 ZINC000421369603 309321057 /nfs/dbraw/zinc/32/10/57/309321057.db2.gz IHAYBAPDVCDBBC-MAKTXDPSSA-N 2 0 329.532 3.359 20 0 EGADRP CN(c1ccccc1C[NH2+]CCCC1(O)CCC1)C1CC[NH+](C)CC1 ZINC000421372700 309321332 /nfs/dbraw/zinc/32/13/32/309321332.db2.gz LKNXNKNAKSZVKM-UHFFFAOYSA-N 2 0 345.531 3.002 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000421400221 309323089 /nfs/dbraw/zinc/32/30/89/309323089.db2.gz JWBPGEHXTUKBCX-ZIFCJYIRSA-N 2 0 338.536 3.203 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421840718 309342874 /nfs/dbraw/zinc/34/28/74/309342874.db2.gz IZHPNPLNASDWDP-GJZGRUSLSA-N 2 0 341.902 3.026 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421849244 309343227 /nfs/dbraw/zinc/34/32/27/309343227.db2.gz BMECSZOIRSEYTD-FPOVZHCZSA-N 2 0 335.495 3.441 20 0 EGADRP Cc1c([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1ccc(C)cc1 ZINC000421873391 309344437 /nfs/dbraw/zinc/34/44/37/309344437.db2.gz HVIRRWFTTVWBAD-ZLPCBKJTSA-N 2 0 341.503 3.408 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc(C)n1 ZINC000421888689 309345190 /nfs/dbraw/zinc/34/51/90/309345190.db2.gz UFCDQFLFVKKOFS-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000422559122 309361583 /nfs/dbraw/zinc/36/15/83/309361583.db2.gz CBZGUSLAVOCVKM-FUHIMQAGSA-N 2 0 339.483 3.466 20 0 EGADRP CC(C)C[C@H](CNC(=O)NC(C)(C)CC[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422605161 309362432 /nfs/dbraw/zinc/36/24/32/309362432.db2.gz PMXREDSDGYIZGG-FUHWJXTLSA-N 2 0 348.535 3.179 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000422641858 309363180 /nfs/dbraw/zinc/36/31/80/309363180.db2.gz YMZCEYFOZBFFNM-JHJVBQTASA-N 2 0 341.858 3.113 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000422698849 309363532 /nfs/dbraw/zinc/36/35/32/309363532.db2.gz BJXGNGMBVMNTLB-MRXNPFEDSA-N 2 0 340.467 3.251 20 0 EGADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCCCC1 ZINC000422707273 309364007 /nfs/dbraw/zinc/36/40/07/309364007.db2.gz HEBQJWSOHYERKR-IEBWSBKVSA-N 2 0 333.520 3.329 20 0 EGADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422726587 309365244 /nfs/dbraw/zinc/36/52/44/309365244.db2.gz FLRWSUOUUIYQJZ-IAOVAPTHSA-N 2 0 341.421 3.010 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422732304 309365782 /nfs/dbraw/zinc/36/57/82/309365782.db2.gz POQMJHDVORXSOO-DETPVDSQSA-N 2 0 328.859 3.099 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422750521 309366477 /nfs/dbraw/zinc/36/64/77/309366477.db2.gz BHEFEINNJKCQFS-YJBOKZPZSA-N 2 0 336.907 3.495 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422757548 309366751 /nfs/dbraw/zinc/36/67/51/309366751.db2.gz JQGOZOVWTGUTGL-CVEARBPZSA-N 2 0 342.405 3.223 20 0 EGADRP CCC[C@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccc1 ZINC000422755733 309366871 /nfs/dbraw/zinc/36/68/71/309366871.db2.gz GEHDYHSRWBPULU-WMZOPIPTSA-N 2 0 332.488 3.439 20 0 EGADRP COc1ccc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422795558 309368763 /nfs/dbraw/zinc/36/87/63/309368763.db2.gz HOIWTWCPNZBCPO-NJDAHSKKSA-N 2 0 340.467 3.095 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Oc1ccc(Br)cc1 ZINC000422798078 309369005 /nfs/dbraw/zinc/36/90/05/309369005.db2.gz PQKGIZSFOSFGEV-WQVCFCJDSA-N 2 0 341.293 3.466 20 0 EGADRP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[N@@H+](CC4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422799727 309369138 /nfs/dbraw/zinc/36/91/38/309369138.db2.gz YETYHCBNHROVPZ-ACRUOGEOSA-N 2 0 327.516 3.334 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Oc1ccc(Br)cc1 ZINC000422798076 309369156 /nfs/dbraw/zinc/36/91/56/309369156.db2.gz PQKGIZSFOSFGEV-KCXAZCMYSA-N 2 0 341.293 3.466 20 0 EGADRP c1ccc2c(c1)CCN(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805186 309369374 /nfs/dbraw/zinc/36/93/74/309369374.db2.gz IREVOFCQRPNANA-FDFHNCONSA-N 2 0 341.543 3.335 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422822442 309370338 /nfs/dbraw/zinc/37/03/38/309370338.db2.gz KAEPVHPXYZVZOO-VAMGGRTRSA-N 3 0 345.531 3.027 20 0 EGADRP c1ccc([C@@H]2C[C@@H](NC3CC[NH+](C4CCCC4)CC3)CC[NH2+]2)cc1 ZINC000422838544 309371125 /nfs/dbraw/zinc/37/11/25/309371125.db2.gz OSHPXQSIDIUBKS-FPOVZHCZSA-N 2 0 327.516 3.476 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422842763 309371473 /nfs/dbraw/zinc/37/14/73/309371473.db2.gz GIXUJRXXCBMQAN-KDOFPFPSSA-N 2 0 329.419 3.491 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000422843945 309371637 /nfs/dbraw/zinc/37/16/37/309371637.db2.gz KEKRLSQUPWBFLO-OXJNMPFZSA-N 2 0 332.536 3.256 20 0 EGADRP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423350266 309396542 /nfs/dbraw/zinc/39/65/42/309396542.db2.gz XDHORTWIFNOHDJ-OTYXRUKQSA-N 2 0 329.669 3.289 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CCOCC2)cc1 ZINC000422876237 309373426 /nfs/dbraw/zinc/37/34/26/309373426.db2.gz FHYDWVABASPKQB-VQTJNVASSA-N 2 0 346.515 3.383 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422880819 309373593 /nfs/dbraw/zinc/37/35/93/309373593.db2.gz OUPKZRZWNHALOH-LPHOPBHVSA-N 3 0 335.923 3.269 20 0 EGADRP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422881916 309373831 /nfs/dbraw/zinc/37/38/31/309373831.db2.gz ZOIQEFYSKCCFGO-QXAKKESOSA-N 2 0 334.504 3.406 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902683 309375163 /nfs/dbraw/zinc/37/51/63/309375163.db2.gz UYNAWNCRAODCNX-MJGOQNOKSA-N 2 0 330.520 3.472 20 0 EGADRP COc1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422903764 309375405 /nfs/dbraw/zinc/37/54/05/309375405.db2.gz WLNQJMMPCVJACW-SLFFLAALSA-N 2 0 332.488 3.365 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422908878 309375696 /nfs/dbraw/zinc/37/56/96/309375696.db2.gz NAIDEPIVUIETOU-APHBMKBZSA-N 2 0 344.421 3.325 20 0 EGADRP COc1ccc(C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccccc2)cc1OC ZINC000422910904 309375826 /nfs/dbraw/zinc/37/58/26/309375826.db2.gz RUVHVJMRJCJYLY-DNVCBOLYSA-N 2 0 340.467 3.185 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422912856 309375829 /nfs/dbraw/zinc/37/58/29/309375829.db2.gz XBSGEGWBGSMYLV-XJKSGUPXSA-N 2 0 327.875 3.161 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc3ccccc32)CC[NH2+]CC1 ZINC000422917393 309375983 /nfs/dbraw/zinc/37/59/83/309375983.db2.gz DPUQKHZPJKVAAR-INIZCTEOSA-N 2 0 340.467 3.251 20 0 EGADRP COc1cccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422921146 309376296 /nfs/dbraw/zinc/37/62/96/309376296.db2.gz NKWDEQNPEHFEPI-XUVXKRRUSA-N 2 0 332.488 3.365 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422934633 309376919 /nfs/dbraw/zinc/37/69/19/309376919.db2.gz CSZCPLGKPHBTHK-WNRNVDISSA-N 2 0 330.472 3.419 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422958882 309378380 /nfs/dbraw/zinc/37/83/80/309378380.db2.gz ZFRHUZBDWJUCEH-WMLDXEAASA-N 2 0 329.513 3.113 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000422980401 309379250 /nfs/dbraw/zinc/37/92/50/309379250.db2.gz PJJFLEZJWMPCEV-LAVFITLUSA-N 2 0 340.458 3.124 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422978083 309379300 /nfs/dbraw/zinc/37/93/00/309379300.db2.gz GUZOUBPKRVYBOW-UKRRQHHQSA-N 2 0 334.851 3.040 20 0 EGADRP CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422978057 309379322 /nfs/dbraw/zinc/37/93/22/309379322.db2.gz GQHAASGEWUYTKH-VAMGGRTRSA-N 2 0 346.515 3.110 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422982342 309379437 /nfs/dbraw/zinc/37/94/37/309379437.db2.gz QQKDIRJSRMVQHC-GJZGRUSLSA-N 2 0 334.851 3.182 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422982341 309379525 /nfs/dbraw/zinc/37/95/25/309379525.db2.gz QQKDIRJSRMVQHC-CABCVRRESA-N 2 0 334.851 3.182 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422991918 309379840 /nfs/dbraw/zinc/37/98/40/309379840.db2.gz QLJFQEDEKWNCRF-KBRIMQKVSA-N 2 0 344.421 3.106 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005317 309380573 /nfs/dbraw/zinc/38/05/73/309380573.db2.gz RICIIRSWFWNINW-CVEARBPZSA-N 2 0 330.394 3.373 20 0 EGADRP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423012595 309380883 /nfs/dbraw/zinc/38/08/83/309380883.db2.gz LDDKJEPBIMDJRL-RNIPGJKVSA-N 2 0 331.479 3.305 20 0 EGADRP CC[C@H](Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000423020819 309381375 /nfs/dbraw/zinc/38/13/75/309381375.db2.gz ALNDPNCTTDSCMD-PMACEKPBSA-N 2 0 330.520 3.160 20 0 EGADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022485 309381597 /nfs/dbraw/zinc/38/15/97/309381597.db2.gz HTBKJNOQPHJDDH-MZTNWIODSA-N 2 0 339.886 3.202 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423028614 309381702 /nfs/dbraw/zinc/38/17/02/309381702.db2.gz SSPQTSLSQVMLTH-LBPRGKRZSA-N 2 0 332.517 3.496 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029211 309381775 /nfs/dbraw/zinc/38/17/75/309381775.db2.gz HRYRLGCHVQRKEO-XHDPSFHLSA-N 2 0 336.277 3.190 20 0 EGADRP Brc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[NH2+]CC3)c2c1 ZINC000423027336 309381819 /nfs/dbraw/zinc/38/18/19/309381819.db2.gz DASQZTGEOAPBNX-CQSZACIVSA-N 2 0 336.277 3.205 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423028182 309381878 /nfs/dbraw/zinc/38/18/78/309381878.db2.gz QJDUIRLIWMYUQD-PBHICJAKSA-N 2 0 344.890 3.432 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423037147 309382446 /nfs/dbraw/zinc/38/24/46/309382446.db2.gz BEZGQEZAIWFBCC-JCURWCKSSA-N 2 0 325.859 3.307 20 0 EGADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423038298 309382499 /nfs/dbraw/zinc/38/24/99/309382499.db2.gz OEZICVGVQXJJKU-VVFCZOMOSA-N 2 0 343.496 3.401 20 0 EGADRP CN1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC000423060902 309383746 /nfs/dbraw/zinc/38/37/46/309383746.db2.gz PQRHZADVSDHPBZ-IJXRJRJASA-N 2 0 327.516 3.196 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066258 309384124 /nfs/dbraw/zinc/38/41/24/309384124.db2.gz DGWHAEUZBGUDOS-WDMOLILDSA-N 2 0 344.286 3.204 20 0 EGADRP [NH3+]CC1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000423074153 309384443 /nfs/dbraw/zinc/38/44/43/309384443.db2.gz KTXMIWAHESYRCF-HFPIOELMSA-N 2 0 334.479 3.007 20 0 EGADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423080839 309384787 /nfs/dbraw/zinc/38/47/87/309384787.db2.gz ASBYKQFXAXQDLW-MTEHYEEQSA-N 2 0 332.463 3.209 20 0 EGADRP COCC1(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423133543 309387613 /nfs/dbraw/zinc/38/76/13/309387613.db2.gz KXAJPAAQMSWXOA-PXNSSMCTSA-N 2 0 330.472 3.039 20 0 EGADRP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179921 309389322 /nfs/dbraw/zinc/38/93/22/309389322.db2.gz MZPWCLVHEBHFPI-GFCCVEGCSA-N 2 0 348.343 3.317 20 0 EGADRP CC(C)(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423191659 309389847 /nfs/dbraw/zinc/38/98/47/309389847.db2.gz UPZHYZQKLCOYKZ-IBGZPJMESA-N 2 0 329.488 3.405 20 0 EGADRP CC(C)(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423191660 309389848 /nfs/dbraw/zinc/38/98/48/309389848.db2.gz UPZHYZQKLCOYKZ-LJQANCHMSA-N 2 0 329.488 3.405 20 0 EGADRP C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000423222128 309391288 /nfs/dbraw/zinc/39/12/88/309391288.db2.gz ZUCKQPCVPXILCT-MJEQTWJJSA-N 2 0 337.305 3.284 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000423273497 309393502 /nfs/dbraw/zinc/39/35/02/309393502.db2.gz JBECAJLOEBUZIV-PIKADFDJSA-N 2 0 330.472 3.275 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423278764 309393834 /nfs/dbraw/zinc/39/38/34/309393834.db2.gz RMFXTWVIGXPMTJ-OLZOCXBDSA-N 2 0 343.284 3.499 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423282456 309393994 /nfs/dbraw/zinc/39/39/94/309393994.db2.gz WQIKMUCESWFDJE-NQIIRXRSSA-N 2 0 339.483 3.353 20 0 EGADRP CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423326385 309395280 /nfs/dbraw/zinc/39/52/80/309395280.db2.gz KLGFOVOAXMAKET-NJYVYQBISA-N 3 0 341.543 3.409 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423330901 309395443 /nfs/dbraw/zinc/39/54/43/309395443.db2.gz NWXXPSGQSVFMQO-IXDOHACOSA-N 2 0 331.504 3.194 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccsc1 ZINC000423339757 309396053 /nfs/dbraw/zinc/39/60/53/309396053.db2.gz WWXZMFAPJFLRBL-CVEARBPZSA-N 2 0 337.533 3.025 20 0 EGADRP CC(C)[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000423341935 309396248 /nfs/dbraw/zinc/39/62/48/309396248.db2.gz YGCYMXBMMDBXKB-QFBILLFUSA-N 2 0 331.504 3.193 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423357572 309396702 /nfs/dbraw/zinc/39/67/02/309396702.db2.gz MHXUCLXAXYYGJD-RLLQIKCJSA-N 2 0 349.563 3.397 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000423358413 309396800 /nfs/dbraw/zinc/39/68/00/309396800.db2.gz NEEGSYAJLQDQDS-VQTJNVASSA-N 2 0 349.563 3.255 20 0 EGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C2CC2)c1 ZINC000423396066 309398494 /nfs/dbraw/zinc/39/84/94/309398494.db2.gz RFVBZKQIIJYEAX-GUYCJALGSA-N 2 0 341.421 3.051 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423403232 309398753 /nfs/dbraw/zinc/39/87/53/309398753.db2.gz RUKPWUSVWOQKHJ-BTYIYWSLSA-N 2 0 334.467 3.353 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423404928 309398825 /nfs/dbraw/zinc/39/88/25/309398825.db2.gz XYHJSZHYBNFLQW-AWEZNQCLSA-N 2 0 326.440 3.466 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H](C)C1 ZINC000423418044 309399472 /nfs/dbraw/zinc/39/94/72/309399472.db2.gz UBPHWFRTOLSEHA-PXNSSMCTSA-N 2 0 345.531 3.271 20 0 EGADRP COC[C@@]1(C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000423419963 309399732 /nfs/dbraw/zinc/39/97/32/309399732.db2.gz WTGBZEDUBTWGCT-YOEHRIQHSA-N 2 0 344.421 3.385 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423447178 309400818 /nfs/dbraw/zinc/40/08/18/309400818.db2.gz ZNMROBRXVHVYDB-BLLLJJGKSA-N 2 0 325.294 3.414 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1I ZINC000423453826 309400920 /nfs/dbraw/zinc/40/09/20/309400920.db2.gz KWYJSIYHYOJKKD-QWRGUYRKSA-N 2 0 332.229 3.069 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423474347 309401566 /nfs/dbraw/zinc/40/15/66/309401566.db2.gz HFARCNJHCCOHHE-GJZGRUSLSA-N 2 0 334.460 3.264 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000423476812 309401629 /nfs/dbraw/zinc/40/16/29/309401629.db2.gz RPXGALNYUWVIDF-YZGWKJHDSA-N 2 0 346.490 3.458 20 0 EGADRP Cc1noc(C2CCC([NH2+][C@H](CCC[NH3+])c3ccccc3)CC2)n1 ZINC000423500408 309403179 /nfs/dbraw/zinc/40/31/79/309403179.db2.gz BVOZATKVARXYDV-DAWZGUTISA-N 2 0 328.460 3.474 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000423556331 309406261 /nfs/dbraw/zinc/40/62/61/309406261.db2.gz ZAQJORMJBRNCGX-MXSMSXNCSA-N 2 0 349.316 3.284 20 0 EGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000423556223 309406330 /nfs/dbraw/zinc/40/63/30/309406330.db2.gz HYOHJHAOCBFHLO-KRWDZBQOSA-N 2 0 341.474 3.470 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000423779184 309412155 /nfs/dbraw/zinc/41/21/55/309412155.db2.gz UVCRRMSGBZUGFR-HXUWFJFHSA-N 2 0 337.467 3.272 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000424308852 309437982 /nfs/dbraw/zinc/43/79/82/309437982.db2.gz HDLJNXZESXVHAD-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000424435003 309443738 /nfs/dbraw/zinc/44/37/38/309443738.db2.gz HXMOLJJPFJNEDH-IBGZPJMESA-N 2 0 346.519 3.332 20 0 EGADRP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)oc2c1 ZINC000426025661 309497871 /nfs/dbraw/zinc/49/78/71/309497871.db2.gz XMMIGUBDPNJMJT-SJORKVTESA-N 2 0 329.488 3.275 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOc3ccccc3)CC2)C[C@@H](C)O1 ZINC000426795790 309516849 /nfs/dbraw/zinc/51/68/49/309516849.db2.gz YONPAHNWBFVTEB-RTBURBONSA-N 2 0 346.515 3.277 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000430731328 309616268 /nfs/dbraw/zinc/61/62/68/309616268.db2.gz LSSIRMKKQSWQMH-SCTDSRPQSA-N 2 0 330.520 3.138 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000430772501 309617343 /nfs/dbraw/zinc/61/73/43/309617343.db2.gz BZHXHOQJGIOPOL-RDGPPVDQSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430960329 309622257 /nfs/dbraw/zinc/62/22/57/309622257.db2.gz IJRMINBTEIYUOL-DLBZAZTESA-N 2 0 345.531 3.122 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000431558927 309636528 /nfs/dbraw/zinc/63/65/28/309636528.db2.gz UGUYMLNQFKRBSY-UXHICEINSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000437111165 309786938 /nfs/dbraw/zinc/78/69/38/309786938.db2.gz YXZWYFCJINIXTK-JRGCBEDISA-N 2 0 330.516 3.223 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccnn2C2CCCC2)c1 ZINC000449085763 310035805 /nfs/dbraw/zinc/03/58/05/310035805.db2.gz AAQWYQZPBBGCTB-UHFFFAOYSA-N 2 0 342.487 3.228 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449114102 310037976 /nfs/dbraw/zinc/03/79/76/310037976.db2.gz YDCIZLPQWHSCHQ-MRXNPFEDSA-N 2 0 330.472 3.454 20 0 EGADRP Cc1ccccc1-c1ccccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000449223991 310045802 /nfs/dbraw/zinc/04/58/02/310045802.db2.gz ZCDFYKFWFCRGKO-UHFFFAOYSA-N 2 0 337.511 3.389 20 0 EGADRP CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000449596894 310074679 /nfs/dbraw/zinc/07/46/79/310074679.db2.gz CPTWJIQFPCJCSM-VAMGGRTRSA-N 2 0 328.500 3.303 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)CCc2ccccc2)CC1 ZINC000449744601 310083770 /nfs/dbraw/zinc/08/37/70/310083770.db2.gz IKORPEBRIJUNIF-IBGZPJMESA-N 2 0 331.548 3.261 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)c3ncccc3c2)CC1 ZINC000449745664 310083884 /nfs/dbraw/zinc/08/38/84/310083884.db2.gz NYIDXVNQWIESGF-UHFFFAOYSA-N 2 0 340.515 3.049 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)c2c1 ZINC000450489112 310125717 /nfs/dbraw/zinc/12/57/17/310125717.db2.gz ZAQAOJRAYRGPQI-MRXNPFEDSA-N 2 0 339.483 3.487 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCSc2ccc(C)c(C)c2)CC1 ZINC000451987288 310206633 /nfs/dbraw/zinc/20/66/33/310206633.db2.gz OHIYCDRWSZPDLF-UHFFFAOYSA-N 2 0 349.588 3.401 20 0 EGADRP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cnn1C ZINC000453172673 310262269 /nfs/dbraw/zinc/26/22/69/310262269.db2.gz IKTKQFVIUANXEM-PWRODBHTSA-N 2 0 338.499 3.261 20 0 EGADRP C[N@H+](CCCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C1CC1 ZINC000453602565 310283799 /nfs/dbraw/zinc/28/37/99/310283799.db2.gz WWXRJWUHCVBDIU-UHFFFAOYSA-N 2 0 330.451 3.035 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455860742 310379990 /nfs/dbraw/zinc/37/99/90/310379990.db2.gz QTJMVSYYIQKHKZ-SFHVURJKSA-N 2 0 332.492 3.041 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@H]1C ZINC000455933971 310382666 /nfs/dbraw/zinc/38/26/66/310382666.db2.gz QSQMTRMFMDMWFU-ZRGWGRIASA-N 2 0 344.503 3.182 20 0 EGADRP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455949854 310383225 /nfs/dbraw/zinc/38/32/25/310383225.db2.gz ZHBHARNXXZIJOJ-LJQANCHMSA-N 2 0 344.503 3.184 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@H+](C)C3CCCC3)ccc21 ZINC000455948266 310383262 /nfs/dbraw/zinc/38/32/62/310383262.db2.gz YAANNQAURHFQJL-IBGZPJMESA-N 2 0 344.503 3.231 20 0 EGADRP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459557139 310560677 /nfs/dbraw/zinc/56/06/77/310560677.db2.gz GUFMPLQABQDTLC-YJYMSZOUSA-N 2 0 327.403 3.301 20 0 EGADRP OC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000459560419 310560931 /nfs/dbraw/zinc/56/09/31/310560931.db2.gz MCHMKSFCRZPKQZ-OAHLLOKOSA-N 2 0 345.874 3.070 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000473302177 310773659 /nfs/dbraw/zinc/77/36/59/310773659.db2.gz MSNAELMOQLTTAI-HXUWFJFHSA-N 2 0 345.531 3.242 20 0 EGADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000474730490 310798370 /nfs/dbraw/zinc/79/83/70/310798370.db2.gz YWRITLDDXFUDFH-UYAOXDASSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000477908471 310851376 /nfs/dbraw/zinc/85/13/76/310851376.db2.gz BKGTVZKUMWFFRX-SFHVURJKSA-N 3 0 347.547 3.400 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482485399 310932901 /nfs/dbraw/zinc/93/29/01/310932901.db2.gz BALKKLJXAMTNQE-RBUKOAKNSA-N 2 0 343.559 3.490 20 0 EGADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c2ccccc21 ZINC000491169410 311166570 /nfs/dbraw/zinc/16/65/70/311166570.db2.gz BUDHVCVGVOBTTC-JOCHJYFZSA-N 2 0 347.462 3.308 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000496468333 311716836 /nfs/dbraw/zinc/71/68/36/311716836.db2.gz HTPHKBLIIAIOMJ-HNNXBMFYSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496882066 311779314 /nfs/dbraw/zinc/77/93/14/311779314.db2.gz JBMJYECHXKPROS-RJYAGPCLSA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507485104 312074762 /nfs/dbraw/zinc/07/47/62/312074762.db2.gz KRWFVGYKAYSDIZ-AYZHRIAMSA-N 2 0 330.516 3.284 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000512188254 312178560 /nfs/dbraw/zinc/17/85/60/312178560.db2.gz XPDFEUNOIUZPSJ-IRXDYDNUSA-N 2 0 334.479 3.455 20 0 EGADRP C[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C1CC1 ZINC000512672615 312192087 /nfs/dbraw/zinc/19/20/87/312192087.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 2 0 341.543 3.359 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000514074236 312224283 /nfs/dbraw/zinc/22/42/83/312224283.db2.gz KQTYQIZWSXOZCI-KRWDZBQOSA-N 2 0 343.506 3.302 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000515497407 312285899 /nfs/dbraw/zinc/28/58/99/312285899.db2.gz SDCGLOCHOQCQRE-UHFFFAOYSA-N 2 0 345.531 3.175 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000515832090 312299692 /nfs/dbraw/zinc/29/96/92/312299692.db2.gz JCESGGZYIAPMAV-INIZCTEOSA-N 2 0 335.467 3.256 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000527116406 312830945 /nfs/dbraw/zinc/83/09/45/312830945.db2.gz ZZNKTBHZPIYLLZ-SVFBPWRDSA-N 2 0 329.532 3.391 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4cc[nH]c4c3)cc2)CC1 ZINC000527655430 312899513 /nfs/dbraw/zinc/89/95/13/312899513.db2.gz DYRJUUSDCBLEFR-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000528679751 313145541 /nfs/dbraw/zinc/14/55/41/313145541.db2.gz IKGSVWCJJWAJBO-GOSISDBHSA-N 2 0 340.427 3.336 20 0 EGADRP C[C@H](C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1 ZINC000530411741 313532407 /nfs/dbraw/zinc/53/24/07/313532407.db2.gz ZZZNIULGXVXKIO-KNQAVFIVSA-N 2 0 337.511 3.368 20 0 EGADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(F)cc1 ZINC000531703418 313703082 /nfs/dbraw/zinc/70/30/82/313703082.db2.gz XXSWXRASTLSYJK-DYESRHJHSA-N 2 0 341.474 3.465 20 0 EGADRP CC[N@@H+]1CC[C@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@@H](C)C1 ZINC000537446700 314181643 /nfs/dbraw/zinc/18/16/43/314181643.db2.gz YHJJMQMTKWPOJI-RXVVDRJESA-N 2 0 344.547 3.359 20 0 EGADRP CC[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000538389685 314243978 /nfs/dbraw/zinc/24/39/78/314243978.db2.gz ILULQUNMLDOZBT-IBGZPJMESA-N 2 0 345.531 3.313 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000540157394 314366039 /nfs/dbraw/zinc/36/60/39/314366039.db2.gz WXMJZQZHUWMBPA-OKYOBFRVSA-N 2 0 340.552 3.307 20 0 EGADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540175900 314367588 /nfs/dbraw/zinc/36/75/88/314367588.db2.gz KNTQUMMOLJSCHM-QUCCMNQESA-N 2 0 345.531 3.427 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000549810304 315105837 /nfs/dbraw/zinc/10/58/37/315105837.db2.gz QJEDFCYXBQVIAK-DLBZAZTESA-N 2 0 336.907 3.488 20 0 EGADRP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCC[C@H](C)C1 ZINC000550380004 315126210 /nfs/dbraw/zinc/12/62/10/315126210.db2.gz MBXFGOQUNGALRR-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193058 /nfs/dbraw/zinc/19/30/58/315193058.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552406593 315218852 /nfs/dbraw/zinc/21/88/52/315218852.db2.gz FHQKPIIALQCWEE-PPQDBTBKSA-N 2 0 328.500 3.038 20 0 EGADRP CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000552560055 315225302 /nfs/dbraw/zinc/22/53/02/315225302.db2.gz DUZLBDXWXRPIOQ-WOJBJXKFSA-N 2 0 344.547 3.350 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000554581984 315334768 /nfs/dbraw/zinc/33/47/68/315334768.db2.gz LYXDIVXEIKJPSE-MRXNPFEDSA-N 2 0 334.504 3.265 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ncc(C(C)(C)C)s2)CC1 ZINC000556095685 315415885 /nfs/dbraw/zinc/41/58/85/315415885.db2.gz AIZYMPWSEILUNH-UHFFFAOYSA-N 2 0 345.516 3.200 20 0 EGADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000563351432 316003478 /nfs/dbraw/zinc/00/34/78/316003478.db2.gz ZNTWUZDXVQBDOZ-UYHISHBKSA-N 2 0 343.858 3.301 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000564853227 316217954 /nfs/dbraw/zinc/21/79/54/316217954.db2.gz CELIFQSCAYLICP-UHFFFAOYSA-N 2 0 337.895 3.380 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000564915406 316232395 /nfs/dbraw/zinc/23/23/95/316232395.db2.gz MUBILADBJKZHDR-GOSISDBHSA-N 2 0 325.456 3.413 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1Br ZINC000565357415 316313468 /nfs/dbraw/zinc/31/34/68/316313468.db2.gz UBIMARXKTMYUCA-GFCCVEGCSA-N 2 0 329.282 3.496 20 0 EGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000565544968 316338142 /nfs/dbraw/zinc/33/81/42/316338142.db2.gz WQGCKFVJAVSDGY-HNNXBMFYSA-N 2 0 343.471 3.013 20 0 EGADRP C[C@H](CCc1ccco1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000565769296 316367967 /nfs/dbraw/zinc/36/79/67/316367967.db2.gz YTPRRYWCIGQKSJ-GOSISDBHSA-N 2 0 341.499 3.184 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)c2ccccc2)CC1 ZINC000569866940 316974997 /nfs/dbraw/zinc/97/49/97/316974997.db2.gz DKSAGEJOFTVRAI-QFIPXVFZSA-N 2 0 348.494 3.246 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000570441879 317055974 /nfs/dbraw/zinc/05/59/74/317055974.db2.gz ACCZUXQYHKSQJX-NZSAHSFTSA-N 2 0 332.463 3.068 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000571329071 317184012 /nfs/dbraw/zinc/18/40/12/317184012.db2.gz ZKKHIXWFKYJDQI-GOSISDBHSA-N 2 0 345.531 3.284 20 0 EGADRP CC(C)Cn1cc(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000571648517 317227656 /nfs/dbraw/zinc/22/76/56/317227656.db2.gz TWNGSZVFYIZITL-FQEVSTJZSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000571770151 317245199 /nfs/dbraw/zinc/24/51/99/317245199.db2.gz MDWQFYWTNDCGCK-GJYPPUQNSA-N 2 0 326.488 3.488 20 0 EGADRP OC1(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CCCC1 ZINC000572235726 317309657 /nfs/dbraw/zinc/30/96/57/317309657.db2.gz HDLVFEXPMXKPIU-UHFFFAOYSA-N 2 0 336.907 3.447 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000572733385 317384357 /nfs/dbraw/zinc/38/43/57/317384357.db2.gz YWXWOGGTWGJKLD-MOPGFXCFSA-N 2 0 341.455 3.060 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000572926991 317409616 /nfs/dbraw/zinc/40/96/16/317409616.db2.gz XRMGUTMFHHRCEB-UHFFFAOYSA-N 2 0 349.482 3.431 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000262089442 455995509 /nfs/dbraw/zinc/99/55/09/455995509.db2.gz GRDOXEHGGNAKIZ-NSHDSACASA-N 2 0 345.256 3.026 20 0 EGADRP CC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000174371093 323305853 /nfs/dbraw/zinc/30/58/53/323305853.db2.gz ONGBVTXQYHWOCU-AJPWXKBRSA-N 2 0 343.515 3.052 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000174508360 323307469 /nfs/dbraw/zinc/30/74/69/323307469.db2.gz VRLPMVDXMJEZHB-RTBURBONSA-N 2 0 332.488 3.064 20 0 EGADRP CN(CC[N@H+](C)Cc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000177382102 323340128 /nfs/dbraw/zinc/34/01/28/323340128.db2.gz SHLKABWWNPUQBD-UHFFFAOYSA-N 2 0 325.500 3.298 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178412103 323356324 /nfs/dbraw/zinc/35/63/24/323356324.db2.gz VCLBQHAHTQIWLE-HNNXBMFYSA-N 2 0 330.476 3.107 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000178619858 323359644 /nfs/dbraw/zinc/35/96/44/323359644.db2.gz NZDYHPKCBXUCOR-OKILXGFUSA-N 2 0 328.859 3.458 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000179225593 323375990 /nfs/dbraw/zinc/37/59/90/323375990.db2.gz ZRBGOTOJWXCGNJ-SNVBAGLBSA-N 2 0 332.311 3.288 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000382829131 324254241 /nfs/dbraw/zinc/25/42/41/324254241.db2.gz GYIVQRVSQGCKEW-QAPCUYQASA-N 2 0 347.503 3.141 20 0 EGADRP O[C@H](CC1CCCC1)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385898996 324264370 /nfs/dbraw/zinc/26/43/70/324264370.db2.gz FSDCTNPMLNAVAV-FDFHNCONSA-N 2 0 342.527 3.382 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc2c1 ZINC000576488290 324625025 /nfs/dbraw/zinc/62/50/25/324625025.db2.gz BTIXNWDPUGDMBS-QUCCMNQESA-N 2 0 344.455 3.160 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000578352388 324957098 /nfs/dbraw/zinc/95/70/98/324957098.db2.gz XFZXLKJIZNXPBU-FXAWDEMLSA-N 2 0 343.515 3.196 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000580659438 325280175 /nfs/dbraw/zinc/28/01/75/325280175.db2.gz SNEKSFVDQFVBTD-LPHOPBHVSA-N 2 0 329.488 3.395 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580769237 325294431 /nfs/dbraw/zinc/29/44/31/325294431.db2.gz IWQBRVGAFZLPTR-BRWVUGGUSA-N 2 0 344.421 3.071 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000580772417 325294730 /nfs/dbraw/zinc/29/47/30/325294730.db2.gz YZDXMRNCOSLYNS-LZLYRXPVSA-N 2 0 331.504 3.010 20 0 EGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000581546936 325370494 /nfs/dbraw/zinc/37/04/94/325370494.db2.gz OVROSZMUCKOXTG-VXIBKDFQSA-N 2 0 348.535 3.177 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000581737011 325387667 /nfs/dbraw/zinc/38/76/67/325387667.db2.gz SBGCTKNUVSXBSW-GYSYKLTISA-N 2 0 336.785 3.252 20 0 EGADRP [NH3+][C@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237858630 455226051 /nfs/dbraw/zinc/22/60/51/455226051.db2.gz TUQDXSFOTAHAAS-UXHICEINSA-N 2 0 337.467 3.030 20 0 EGADRP [NH3+][C@@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000237873713 455228084 /nfs/dbraw/zinc/22/80/84/455228084.db2.gz IRHZVOSRULWGDA-FQEVSTJZSA-N 2 0 343.515 3.191 20 0 EGADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000180797191 455247404 /nfs/dbraw/zinc/24/74/04/455247404.db2.gz PAMSWZRUZJZHEC-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)cc1 ZINC000264633004 455252999 /nfs/dbraw/zinc/25/29/99/455252999.db2.gz MJCGVPPVARLGTA-GOSISDBHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000173310467 455262763 /nfs/dbraw/zinc/26/27/63/455262763.db2.gz OEBYHQHPBRFXEN-HNNXBMFYSA-N 2 0 343.471 3.099 20 0 EGADRP [NH3+]Cc1cn([C@@H]2CC[N@H+](Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000631847508 460579553 /nfs/dbraw/zinc/57/95/53/460579553.db2.gz WEHSRMDISMEDAW-GFCCVEGCSA-N 2 0 347.875 3.052 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000159180927 455357863 /nfs/dbraw/zinc/35/78/63/455357863.db2.gz MZGHOMDRIRYADB-VDGAXYAQSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCSCC2)C[C@@H](C)O1 ZINC000075831185 453929072 /nfs/dbraw/zinc/92/90/72/453929072.db2.gz XAMUJEJSRINCTK-HZPDHXFCSA-N 2 0 334.529 3.281 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc3ncccc3c2)C[C@H](C)O1 ZINC000067453154 453932102 /nfs/dbraw/zinc/93/21/02/453932102.db2.gz LLTABRMPFKUBAZ-IRXDYDNUSA-N 2 0 327.472 3.214 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000075957935 453942854 /nfs/dbraw/zinc/94/28/54/453942854.db2.gz MILAWAOMYIOQFP-LJQANCHMSA-N 2 0 344.503 3.230 20 0 EGADRP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CC1 ZINC000076463321 454003109 /nfs/dbraw/zinc/00/31/09/454003109.db2.gz XSADDLJIVIBVKK-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC000042475598 454010607 /nfs/dbraw/zinc/01/06/07/454010607.db2.gz SYOCWDGXDVUGLN-INIZCTEOSA-N 2 0 349.500 3.216 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000068450271 454028325 /nfs/dbraw/zinc/02/83/25/454028325.db2.gz XJWZTBBJABRLIL-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522397 454064358 /nfs/dbraw/zinc/06/43/58/454064358.db2.gz ACUAYSYORAINID-CQSZACIVSA-N 2 0 337.895 3.331 20 0 EGADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000056523650 454064630 /nfs/dbraw/zinc/06/46/30/454064630.db2.gz RYKHHAFMVAKJEI-QGZVFWFLSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277549 454094058 /nfs/dbraw/zinc/09/40/58/454094058.db2.gz YMMXADTUDLOTHH-INIZCTEOSA-N 2 0 332.492 3.134 20 0 EGADRP O=C(CC1CCCCC1)NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000089666652 454175279 /nfs/dbraw/zinc/17/52/79/454175279.db2.gz WDUDDQHTYJOEGV-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000130343538 454192222 /nfs/dbraw/zinc/19/22/22/454192222.db2.gz OMZHFDHNQRHSCD-HXUWFJFHSA-N 2 0 345.531 3.235 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000130383272 454194270 /nfs/dbraw/zinc/19/42/70/454194270.db2.gz JQKVLKWNMOYWGM-FQEVSTJZSA-N 2 0 342.487 3.027 20 0 EGADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cn1 ZINC000095421943 454208490 /nfs/dbraw/zinc/20/84/90/454208490.db2.gz ANKBVWFCIKDNOM-QGZVFWFLSA-N 2 0 341.503 3.067 20 0 EGADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028612 454264643 /nfs/dbraw/zinc/26/46/43/454264643.db2.gz JFLGAXQMSZEFQD-IRXDYDNUSA-N 2 0 331.504 3.036 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000060335586 454277345 /nfs/dbraw/zinc/27/73/45/454277345.db2.gz ZNIXKLCXSILNAR-LJQANCHMSA-N 2 0 329.488 3.485 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450653 454307182 /nfs/dbraw/zinc/30/71/82/454307182.db2.gz XNUHHIONULKYPX-SUNKGSAMSA-N 2 0 332.275 3.086 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132316331 454328916 /nfs/dbraw/zinc/32/89/16/454328916.db2.gz VUWXSNWVLFXKCG-RTWAWAEBSA-N 2 0 329.532 3.316 20 0 EGADRP C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000047148322 454333635 /nfs/dbraw/zinc/33/36/35/454333635.db2.gz BSMNTEUTFCFHLG-SFHVURJKSA-N 2 0 343.515 3.134 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000090937319 454352630 /nfs/dbraw/zinc/35/26/30/454352630.db2.gz QVMLWGFHQZWKQN-SFHVURJKSA-N 2 0 331.435 3.402 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2SC)C1 ZINC000072860911 454353689 /nfs/dbraw/zinc/35/36/89/454353689.db2.gz UGKQIQFZXMDJRC-OAHLLOKOSA-N 2 0 335.517 3.011 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073033992 454384509 /nfs/dbraw/zinc/38/45/09/454384509.db2.gz CSVXABYBINKYTO-PXNSSMCTSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000121058831 454384838 /nfs/dbraw/zinc/38/48/38/454384838.db2.gz NMMMIIIOKGAFNW-FPOVZHCZSA-N 2 0 331.548 3.035 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000063302442 454403556 /nfs/dbraw/zinc/40/35/56/454403556.db2.gz INTAAWCSQUTSIX-GOSISDBHSA-N 2 0 343.515 3.021 20 0 EGADRP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000133355525 454416800 /nfs/dbraw/zinc/41/68/00/454416800.db2.gz UGPFGCMRMFTRAL-CQSZACIVSA-N 2 0 329.282 3.263 20 0 EGADRP C[C@H](C[NH2+][C@H](c1ccccc1F)C1CCCC1)N1CC[NH+](C)CC1 ZINC000091333413 454427295 /nfs/dbraw/zinc/42/72/95/454427295.db2.gz FYBRARYVHQWUGB-UZLBHIALSA-N 2 0 333.495 3.283 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000121374181 454427413 /nfs/dbraw/zinc/42/74/13/454427413.db2.gz QOFZBTWHOSSUIH-SIKLNZKXSA-N 2 0 343.559 3.179 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000047978336 454427519 /nfs/dbraw/zinc/42/75/19/454427519.db2.gz HGOWWRLKEYJHFV-SFHVURJKSA-N 2 0 345.531 3.260 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc(OC)c1OC ZINC000121451578 454436380 /nfs/dbraw/zinc/43/63/80/454436380.db2.gz KUPDLRBGTHCATK-ZIAGYGMSSA-N 2 0 347.459 3.204 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000063783781 454448175 /nfs/dbraw/zinc/44/81/75/454448175.db2.gz GPCVSCYIOBSNNL-UHFFFAOYSA-N 2 0 345.531 3.409 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OCC)o2)CC1 ZINC000134172685 454511623 /nfs/dbraw/zinc/51/16/23/454511623.db2.gz OPFMNAZLZQBJMT-UHFFFAOYSA-N 2 0 336.476 3.400 20 0 EGADRP COc1cc2c(c(C[NH+]3CCC(CC[NH+](C)C)CC3)c1)O[C@@H](C)C2 ZINC000092380928 454559131 /nfs/dbraw/zinc/55/91/31/454559131.db2.gz ASVLQBAQLWWUBQ-HNNXBMFYSA-N 2 0 332.488 3.182 20 0 EGADRP CC[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000123132359 454605648 /nfs/dbraw/zinc/60/56/48/454605648.db2.gz PUGNHVATRVPTJK-QUCCMNQESA-N 2 0 338.499 3.224 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000092745632 454624204 /nfs/dbraw/zinc/62/42/04/454624204.db2.gz FWWRSBFNHVEAPD-OAHLLOKOSA-N 2 0 331.435 3.402 20 0 EGADRP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000123345297 454627946 /nfs/dbraw/zinc/62/79/46/454627946.db2.gz NNZZVLPWULTDSF-IRXDYDNUSA-N 2 0 331.504 3.065 20 0 EGADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000123828866 454680307 /nfs/dbraw/zinc/68/03/07/454680307.db2.gz HTTFOUAXOBLPEL-OXJNMPFZSA-N 2 0 340.467 3.281 20 0 EGADRP C[C@@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000093405140 454712121 /nfs/dbraw/zinc/71/21/21/454712121.db2.gz VZTUOUUSWVWKTP-QFBILLFUSA-N 2 0 335.561 3.453 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1Cl ZINC000124376991 454725909 /nfs/dbraw/zinc/72/59/09/454725909.db2.gz MTBSADPBYBEBRO-CQSZACIVSA-N 2 0 341.902 3.403 20 0 EGADRP Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000106936574 454732096 /nfs/dbraw/zinc/73/20/96/454732096.db2.gz NXGGPEBJINRKAA-CRAIPNDOSA-N 2 0 347.528 3.246 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124453451 454735624 /nfs/dbraw/zinc/73/56/24/454735624.db2.gz CROOMPKKRZDUKQ-NRFANRHFSA-N 2 0 349.538 3.256 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000635012593 460655284 /nfs/dbraw/zinc/65/52/84/460655284.db2.gz WYMLKDUTNBCPAI-HTAPYJJXSA-N 2 0 341.543 3.465 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000635013718 460654992 /nfs/dbraw/zinc/65/49/92/460654992.db2.gz VKHOHUYHZNUPHY-WDEREUQCSA-N 2 0 326.400 3.107 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125072936 454795744 /nfs/dbraw/zinc/79/57/44/454795744.db2.gz PSAUMABUXZBHOF-ULQDDVLXSA-N 2 0 339.524 3.238 20 0 EGADRP FC(F)(F)c1cccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000140459790 454820695 /nfs/dbraw/zinc/82/06/95/454820695.db2.gz MFRAKCIFTVYASX-UHFFFAOYSA-N 2 0 341.421 3.217 20 0 EGADRP COCC[N@H+](C)CCCN[C@H](C)c1ccccc1Br ZINC000153742964 454827580 /nfs/dbraw/zinc/82/75/80/454827580.db2.gz CPOAEZMSDVHCRF-CYBMUJFWSA-N 2 0 329.282 3.068 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCCC1 ZINC000177353649 454854749 /nfs/dbraw/zinc/85/47/49/454854749.db2.gz NVTHHXZPVZXEID-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1=O ZINC000177425803 454862714 /nfs/dbraw/zinc/86/27/14/454862714.db2.gz HIFPDDWWHZJHKU-HXUWFJFHSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1C[C@H](NCc2cccc(NC(=O)C3CCCC3)c2)CC[N@@H+]1C ZINC000126007620 454862816 /nfs/dbraw/zinc/86/28/16/454862816.db2.gz BPDPZQVZFBFZOR-CRAIPNDOSA-N 2 0 329.488 3.388 20 0 EGADRP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000164309783 454879960 /nfs/dbraw/zinc/87/99/60/454879960.db2.gz SJBQLHXXYQCWSN-LPHOPBHVSA-N 2 0 340.467 3.281 20 0 EGADRP CCC[C@@H](NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150810276 454895993 /nfs/dbraw/zinc/89/59/93/454895993.db2.gz NJYUCROPDSKEOB-UYAOXDASSA-N 2 0 343.515 3.062 20 0 EGADRP Cn1ccnc1-c1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000150895167 454908430 /nfs/dbraw/zinc/90/84/30/454908430.db2.gz MYAZTVOXJROJQX-UHFFFAOYSA-N 2 0 341.459 3.083 20 0 EGADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)CCC2 ZINC000178039356 454929624 /nfs/dbraw/zinc/92/96/24/454929624.db2.gz PJTZPYIOPKMERH-FMKPAKJESA-N 2 0 337.533 3.308 20 0 EGADRP C[N@@H+](Cc1cc(Br)ccc1F)CC1CC[NH+](C)CC1 ZINC000154834175 454934785 /nfs/dbraw/zinc/93/47/85/454934785.db2.gz OQJFEBGSXLAEEA-UHFFFAOYSA-N 2 0 329.257 3.362 20 0 EGADRP CCOC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000127274457 454950604 /nfs/dbraw/zinc/95/06/04/454950604.db2.gz LFBCUGHSUGGFBM-HOTGVXAUSA-N 2 0 337.483 3.043 20 0 EGADRP COc1ccc(CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000170689609 454957488 /nfs/dbraw/zinc/95/74/88/454957488.db2.gz KXCKLJZQPWKMCE-HDICACEKSA-N 2 0 346.515 3.059 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178829035 454981707 /nfs/dbraw/zinc/98/17/07/454981707.db2.gz NNYPVKQLCNLUGG-JXFKEZNVSA-N 2 0 343.515 3.236 20 0 EGADRP COc1ccc(Br)c(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000127695825 454988336 /nfs/dbraw/zinc/98/83/36/454988336.db2.gz FOAHKFGBBDBFFL-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370638 454992561 /nfs/dbraw/zinc/99/25/61/454992561.db2.gz ZPCKBFDEMPFGFK-ABAIWWIYSA-N 2 0 329.257 3.061 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[NH+]1CCCCCC1 ZINC000115115765 454998796 /nfs/dbraw/zinc/99/87/96/454998796.db2.gz LZEQBJKMJLKGSG-INIZCTEOSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)N1CC[NH+](C)CC1 ZINC000127854767 455004056 /nfs/dbraw/zinc/00/40/56/455004056.db2.gz ZGOXZGRNWQFGOL-MSOLQXFVSA-N 2 0 338.499 3.035 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000155596499 455020264 /nfs/dbraw/zinc/02/02/64/455020264.db2.gz NGQBWFQTADCBSY-CABCVRRESA-N 2 0 338.565 3.252 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(-c2ccncc2)c1 ZINC000151890599 455045397 /nfs/dbraw/zinc/04/53/97/455045397.db2.gz MQLSGCHKNXWEQF-QGZVFWFLSA-N 2 0 339.483 3.104 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000152064449 455068417 /nfs/dbraw/zinc/06/84/17/455068417.db2.gz PYUFWAHZXFRAED-OAHLLOKOSA-N 2 0 342.439 3.207 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145893 455078915 /nfs/dbraw/zinc/07/89/15/455078915.db2.gz IYHUZDPWXWEMCM-LSDHHAIUSA-N 2 0 344.459 3.080 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cncs1 ZINC000156078339 455079679 /nfs/dbraw/zinc/07/96/79/455079679.db2.gz GOFVXWPNDAIEIZ-QGZVFWFLSA-N 2 0 344.528 3.396 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CCOCC2)cc1 ZINC000152449707 455121100 /nfs/dbraw/zinc/12/11/00/455121100.db2.gz UXTPYFQEYVNZKV-MJGOQNOKSA-N 2 0 346.515 3.206 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000623656085 460664014 /nfs/dbraw/zinc/66/40/14/460664014.db2.gz MPWSUBLTXOGSDD-AZUAARDMSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)[NH+]1CCC(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000180404336 455164837 /nfs/dbraw/zinc/16/48/37/455164837.db2.gz IKCPEXAGPPQKTQ-QGZVFWFLSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000237352112 455175924 /nfs/dbraw/zinc/17/59/24/455175924.db2.gz WHQJYYVGKBNEDY-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182993711 455205365 /nfs/dbraw/zinc/20/53/65/455205365.db2.gz CWUKCCJIDPCBJN-YWZLYKJASA-N 2 0 332.463 3.294 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237717091 455210800 /nfs/dbraw/zinc/21/08/00/455210800.db2.gz CQNCMPKISDUHSZ-BEFAXECRSA-N 2 0 325.456 3.331 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173391541 455277617 /nfs/dbraw/zinc/27/76/17/455277617.db2.gz RVBOQAYIIYTZLF-HNNXBMFYSA-N 2 0 343.437 3.384 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000158188695 455278614 /nfs/dbraw/zinc/27/86/14/455278614.db2.gz KRAQWQDMWDNZRS-KRWDZBQOSA-N 2 0 335.923 3.236 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245395105 455284963 /nfs/dbraw/zinc/28/49/63/455284963.db2.gz ZHEDRQANLHMOHR-ZRNYENFQSA-N 2 0 349.563 3.218 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000158583511 455314086 /nfs/dbraw/zinc/31/40/86/455314086.db2.gz RXQWTIFNIBBQBR-IPMKNSEASA-N 2 0 343.515 3.355 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000245539080 455324199 /nfs/dbraw/zinc/32/41/99/455324199.db2.gz JKLZKMJOWOBZJA-QKLQHJQFSA-N 2 0 346.515 3.032 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183795063 455328726 /nfs/dbraw/zinc/32/87/26/455328726.db2.gz MBVZMWFXZKZROZ-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP CO[C@H](C)c1nc(CN2CCC[C@@H](Cc3nccn3C)C2)cs1 ZINC000245704219 455360477 /nfs/dbraw/zinc/36/04/77/455360477.db2.gz YAVSDWNZJUPASS-KGLIPLIRSA-N 2 0 334.489 3.039 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCOC)CC1 ZINC000181643434 455366684 /nfs/dbraw/zinc/36/66/84/455366684.db2.gz KNKCYBOEJADQBI-MRXNPFEDSA-N 2 0 337.483 3.045 20 0 EGADRP CN(C(=O)c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245750588 455372505 /nfs/dbraw/zinc/37/25/05/455372505.db2.gz XMENNROERFNTOI-WOJBJXKFSA-N 2 0 343.515 3.096 20 0 EGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181720744 455376410 /nfs/dbraw/zinc/37/64/10/455376410.db2.gz LXBSKYLAGKWILY-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCCOc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000265879382 455398069 /nfs/dbraw/zinc/39/80/69/455398069.db2.gz NYBRQTSGQORWPF-UHFFFAOYSA-N 2 0 334.504 3.192 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000265915078 455404624 /nfs/dbraw/zinc/40/46/24/455404624.db2.gz AFJHOGNFGQRLPO-FXAWDEMLSA-N 2 0 345.531 3.331 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)[C@@H](C)C1 ZINC000246300843 455466394 /nfs/dbraw/zinc/46/63/94/455466394.db2.gz DAHGMOASRJRVOL-WMZOPIPTSA-N 2 0 327.472 3.324 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(N2CCOC2=O)c1 ZINC000246874151 455532178 /nfs/dbraw/zinc/53/21/78/455532178.db2.gz DDAJKIVSXBMRNT-USXIJHARSA-N 2 0 331.460 3.167 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246895899 455534726 /nfs/dbraw/zinc/53/47/26/455534726.db2.gz FAPXZPGYVLJTOU-QEUPLWARSA-N 3 0 329.532 3.358 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000185351054 455546934 /nfs/dbraw/zinc/54/69/34/455546934.db2.gz UHPLIYNZGRHOGL-UHFFFAOYSA-N 2 0 337.552 3.256 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247087613 455557879 /nfs/dbraw/zinc/55/78/79/455557879.db2.gz NUPVROCZRUBSGF-YTQUADARSA-N 3 0 333.520 3.150 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182636297 455558361 /nfs/dbraw/zinc/55/83/61/455558361.db2.gz PWNLYUDPMNUONH-UHFFFAOYSA-N 2 0 335.495 3.374 20 0 EGADRP CCOC(=O)[C@@H](c1cccc(Cl)c1)N(C)CCCn1ccnc1 ZINC000192137012 455562423 /nfs/dbraw/zinc/56/24/23/455562423.db2.gz UAYKJPHQZJMRGE-MRXNPFEDSA-N 2 0 335.835 3.163 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC000247149981 455566107 /nfs/dbraw/zinc/56/61/07/455566107.db2.gz SVCTUTLUUFGRPF-HLIPFELVSA-N 2 0 336.495 3.483 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CCOCC2)cc1 ZINC000247177181 455569035 /nfs/dbraw/zinc/56/90/35/455569035.db2.gz UXTPYFQEYVNZKV-HKUYNNGSSA-N 2 0 346.515 3.206 20 0 EGADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000247178586 455569279 /nfs/dbraw/zinc/56/92/79/455569279.db2.gz ZAXROGBYEAVTIQ-IHRRRGAJSA-N 2 0 325.522 3.300 20 0 EGADRP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993256 455620183 /nfs/dbraw/zinc/62/01/83/455620183.db2.gz HLBJOGQFJJCMSE-QZTJIDSGSA-N 2 0 345.487 3.114 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000192516227 455634226 /nfs/dbraw/zinc/63/42/26/455634226.db2.gz XTYMLTSFNFJZKM-NRFANRHFSA-N 2 0 339.483 3.017 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000271432565 455634841 /nfs/dbraw/zinc/63/48/41/455634841.db2.gz BEAJQFNZAURFMO-VAKZPMALSA-N 2 0 346.515 3.155 20 0 EGADRP CCCCOc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000185891239 455644502 /nfs/dbraw/zinc/64/45/02/455644502.db2.gz IAUKGBYHQOSABK-UHFFFAOYSA-N 2 0 347.547 3.371 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc(OCC[NH+](C)C)c1 ZINC000271513483 455667418 /nfs/dbraw/zinc/66/74/18/455667418.db2.gz OCCVKCQSXBITMA-KSSFIOAISA-N 2 0 328.460 3.078 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248008831 455669015 /nfs/dbraw/zinc/66/90/15/455669015.db2.gz LARKYZKVAUACEV-SCTDSRPQSA-N 2 0 329.488 3.047 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248008820 455669814 /nfs/dbraw/zinc/66/98/14/455669814.db2.gz LARKYZKVAUACEV-JENIJYKNSA-N 2 0 329.488 3.047 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000271563702 455685640 /nfs/dbraw/zinc/68/56/40/455685640.db2.gz YEECFEHULNNHDF-GDBMZVCRSA-N 2 0 330.501 3.068 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C2CC2)cc1 ZINC000271578303 455690163 /nfs/dbraw/zinc/69/01/63/455690163.db2.gz ZVVXBLHWFWGXGH-BHDDXSALSA-N 2 0 342.527 3.284 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)c3cccnc23)CCCO1 ZINC000277884954 455696216 /nfs/dbraw/zinc/69/62/16/455696216.db2.gz OEBWMGOVMRUWAO-OAHLLOKOSA-N 2 0 347.890 3.479 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000268746914 455713248 /nfs/dbraw/zinc/71/32/48/455713248.db2.gz AYHILSFLDDGFRJ-VCBZYWHSSA-N 2 0 344.503 3.350 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)OC(C)C ZINC000186378751 455756832 /nfs/dbraw/zinc/75/68/32/455756832.db2.gz XGECIARYQNGERZ-CIWUYKSXSA-N 2 0 334.504 3.480 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271781862 455757446 /nfs/dbraw/zinc/75/74/46/455757446.db2.gz DUHBKWDXRVGHKA-UHFFFAOYSA-N 2 0 338.499 3.208 20 0 EGADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000193459765 455759557 /nfs/dbraw/zinc/75/95/57/455759557.db2.gz OSSCSMHCMTYRBZ-KRWDZBQOSA-N 2 0 327.476 3.136 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000269009967 455762642 /nfs/dbraw/zinc/76/26/42/455762642.db2.gz NJKCWZHJFZCNIF-AWEZNQCLSA-N 2 0 341.902 3.373 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000249843028 455778337 /nfs/dbraw/zinc/77/83/37/455778337.db2.gz NWYCINIIEJPPDI-BDTNDASRSA-N 2 0 341.543 3.209 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCn1ccnc1C)CCC2 ZINC000278186076 455781294 /nfs/dbraw/zinc/78/12/94/455781294.db2.gz DXBOXWRKQDURBQ-OAHLLOKOSA-N 2 0 345.443 3.327 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000269083891 455785369 /nfs/dbraw/zinc/78/53/69/455785369.db2.gz PDFWAEPOSAEXBH-HNBVOPMISA-N 2 0 327.516 3.254 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000269089241 455786486 /nfs/dbraw/zinc/78/64/86/455786486.db2.gz QDBIGUANPXJALA-XJKSGUPXSA-N 2 0 330.419 3.295 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000271876092 455795851 /nfs/dbraw/zinc/79/58/51/455795851.db2.gz ODOQLGXGFGCZLV-FQEVSTJZSA-N 2 0 330.516 3.080 20 0 EGADRP C[C@@H]1C[C@H](NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@@H+]1C ZINC000186570020 455795962 /nfs/dbraw/zinc/79/59/62/455795962.db2.gz GAQWAEWRBQVARI-XYPHTWIQSA-N 2 0 343.437 3.380 20 0 EGADRP CCCN(C(=O)c1ccc(C[N@H+](CC)CCC)cc1)[C@H]1CC[NH2+]C1 ZINC000269167934 455802572 /nfs/dbraw/zinc/80/25/72/455802572.db2.gz GICFIVJTTFSDFS-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000186604374 455803849 /nfs/dbraw/zinc/80/38/49/455803849.db2.gz KUPDGPXQISCIMU-HUUCEWRRSA-N 2 0 343.437 3.382 20 0 EGADRP Cc1cnc([C@@H](C)NCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000285290779 455818260 /nfs/dbraw/zinc/81/82/60/455818260.db2.gz BDLBUBPSUBVJCH-QGZVFWFLSA-N 2 0 344.528 3.314 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)C(C)C ZINC000194406817 455838288 /nfs/dbraw/zinc/83/82/88/455838288.db2.gz CJPUFBJEDFDAQS-GOSISDBHSA-N 2 0 345.531 3.265 20 0 EGADRP Cc1ccc([C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C2CCC2)cc1 ZINC000186985854 455860407 /nfs/dbraw/zinc/86/04/07/455860407.db2.gz LYGFLQBOIIWZGU-OAQYLSRUSA-N 2 0 329.532 3.452 20 0 EGADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000285587170 455875569 /nfs/dbraw/zinc/87/55/69/455875569.db2.gz HQDAFBJKMNHHBP-OGWHTMIXSA-N 2 0 336.426 3.481 20 0 EGADRP CCOc1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OCC ZINC000261619750 455915185 /nfs/dbraw/zinc/91/51/85/455915185.db2.gz DDDWSDMORWSMQN-RBUKOAKNSA-N 2 0 340.467 3.411 20 0 EGADRP C[C@@]1(C[NH3+])CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261636746 455918559 /nfs/dbraw/zinc/91/85/59/455918559.db2.gz DGAKCIVPEAEJTB-FQEVSTJZSA-N 2 0 339.439 3.088 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1(C(=O)OC)CCC1 ZINC000272341591 455920075 /nfs/dbraw/zinc/92/00/75/455920075.db2.gz BSQZEELGPAAZJZ-SFHVURJKSA-N 2 0 345.487 3.010 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000261649703 455920828 /nfs/dbraw/zinc/92/08/28/455920828.db2.gz DLUJOYFBYOKPJF-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000195349511 455948252 /nfs/dbraw/zinc/94/82/52/455948252.db2.gz KANDSWMBAJRRMA-UHFFFAOYSA-N 2 0 341.499 3.485 20 0 EGADRP CCOc1cc(CN2CCC[C@@H](C)[C@H]2C[NH3+])ccc1OC(F)F ZINC000261812910 455951899 /nfs/dbraw/zinc/95/18/99/455951899.db2.gz VUEIKWSCAUTIQZ-TZMCWYRMSA-N 2 0 328.403 3.246 20 0 EGADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000261807877 455952409 /nfs/dbraw/zinc/95/24/09/455952409.db2.gz OOJZHYSSJHVLRR-INIZCTEOSA-N 2 0 338.377 3.062 20 0 EGADRP C[NH2+][C@@H]1CCCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261823525 455955045 /nfs/dbraw/zinc/95/50/45/455955045.db2.gz UUQKTKUPAWAJNU-GOSISDBHSA-N 2 0 337.467 3.366 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000272476446 455963129 /nfs/dbraw/zinc/96/31/29/455963129.db2.gz AKEQNYXWOIWWOJ-MBDNFAEBSA-N 2 0 336.479 3.220 20 0 EGADRP Cc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187983071 455975840 /nfs/dbraw/zinc/97/58/40/455975840.db2.gz KBWKOCLNQNWIMW-NQIIRXRSSA-N 2 0 329.532 3.452 20 0 EGADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1OC(F)F ZINC000272514112 455978365 /nfs/dbraw/zinc/97/83/65/455978365.db2.gz IDAFYAFNFDBODN-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000261989358 455982084 /nfs/dbraw/zinc/98/20/84/455982084.db2.gz LCRMHUYLDNWENF-UHFFFAOYSA-N 2 0 335.398 3.441 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000261988595 455982329 /nfs/dbraw/zinc/98/23/29/455982329.db2.gz LBCWXFWTYLAEMN-MRXNPFEDSA-N 2 0 331.504 3.459 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(CC[NH2+]C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000261996126 455982348 /nfs/dbraw/zinc/98/23/48/455982348.db2.gz OAUXHYRMACXNKD-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)c3coc(C[NH3+])c3)cc2)CC1 ZINC000188059810 455988901 /nfs/dbraw/zinc/98/89/01/455988901.db2.gz NKMLQWHEPRPNSP-UHFFFAOYSA-N 2 0 327.428 3.223 20 0 EGADRP C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262082622 455994728 /nfs/dbraw/zinc/99/47/28/455994728.db2.gz TZGYRSHXOZCRRH-UZLBHIALSA-N 2 0 332.451 3.318 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c(C)c1OC ZINC000286181237 455995045 /nfs/dbraw/zinc/99/50/45/455995045.db2.gz QWJNWVUCXPXUKH-JJRVBVJISA-N 2 0 332.488 3.158 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566252 455997026 /nfs/dbraw/zinc/99/70/26/455997026.db2.gz UUXXGLQKPYNSDL-WIYYLYMNSA-N 2 0 340.515 3.472 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000272571077 455998278 /nfs/dbraw/zinc/99/82/78/455998278.db2.gz PBHWSAOXKPGQPL-QGZVFWFLSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272576577 456000383 /nfs/dbraw/zinc/00/03/83/456000383.db2.gz VTOFJZDOAWJIBX-JBACZVJFSA-N 2 0 346.515 3.072 20 0 EGADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623756860 460706611 /nfs/dbraw/zinc/70/66/11/460706611.db2.gz IFCOJHQICUSHHH-HRCADAONSA-N 2 0 337.870 3.274 20 0 EGADRP CCc1oc2ccccc2c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272642255 456023162 /nfs/dbraw/zinc/02/31/62/456023162.db2.gz LTSSHZRHYATEPV-UHFFFAOYSA-N 2 0 329.488 3.065 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1)C(C)C ZINC000272640814 456023227 /nfs/dbraw/zinc/02/32/27/456023227.db2.gz OHKWAARXWDTGMA-AZUAARDMSA-N 2 0 343.515 3.083 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272657434 456028311 /nfs/dbraw/zinc/02/83/11/456028311.db2.gz LZJTYXRPFUMVBX-NZSAHSFTSA-N 2 0 328.456 3.122 20 0 EGADRP CN1CC[C@@H](C[NH2+]C2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286349698 456029759 /nfs/dbraw/zinc/02/97/59/456029759.db2.gz ZEQFPAQKXGKDAK-FAYHIZQSSA-N 2 0 340.870 3.365 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000262987460 456074666 /nfs/dbraw/zinc/07/46/66/456074666.db2.gz NIFMPGSMZSGCDZ-QUCCMNQESA-N 2 0 331.504 3.051 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263055452 456085161 /nfs/dbraw/zinc/08/51/61/456085161.db2.gz UWFJOOYMGYPSOM-BSIFCXSSSA-N 2 0 343.515 3.236 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000263166135 456104149 /nfs/dbraw/zinc/10/41/49/456104149.db2.gz FEXPPQOOZAMFGD-SVFBPWRDSA-N 2 0 343.515 3.156 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000227330863 456113340 /nfs/dbraw/zinc/11/33/40/456113340.db2.gz FPBBBAXNNRGTCO-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000227328421 456113453 /nfs/dbraw/zinc/11/34/53/456113453.db2.gz LWOJNQOOFUUTGE-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@@H]1C[C@H](NCc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000230309941 456135938 /nfs/dbraw/zinc/13/59/38/456135938.db2.gz MRWRXZPOENFLCY-NXEZZACHSA-N 2 0 333.220 3.300 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2n1 ZINC000333094277 456159761 /nfs/dbraw/zinc/15/97/61/456159761.db2.gz CXQHKTONMTUMPJ-PZJWPPBQSA-N 2 0 339.483 3.262 20 0 EGADRP CCOc1cc(C[NH2+]CCn2ccnc2)ccc1OCC(F)(F)F ZINC000236937607 456203854 /nfs/dbraw/zinc/20/38/54/456203854.db2.gz NPXPQIBZRFUUNP-UHFFFAOYSA-N 2 0 343.349 3.013 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000236939204 456205990 /nfs/dbraw/zinc/20/59/90/456205990.db2.gz KNZROULZNMZVBM-HXUWFJFHSA-N 2 0 337.467 3.354 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2Cl)CC1 ZINC000263733612 456206741 /nfs/dbraw/zinc/20/67/41/456206741.db2.gz SWKLSNAWBQZWSI-UHFFFAOYSA-N 2 0 337.895 3.473 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1)C(C)C ZINC000236993168 456216012 /nfs/dbraw/zinc/21/60/12/456216012.db2.gz NOKXWITYCPKFGU-APWZRJJASA-N 2 0 331.504 3.116 20 0 EGADRP C[N@H+](CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237066739 456225808 /nfs/dbraw/zinc/22/58/08/456225808.db2.gz LLOHQTHKINQPSD-LJQANCHMSA-N 2 0 331.504 3.237 20 0 EGADRP Cc1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c2cc(F)ccc2[nH+]1 ZINC000333643042 456245281 /nfs/dbraw/zinc/24/52/81/456245281.db2.gz IPFPWMNKLNCNTF-YLJYHZDGSA-N 2 0 343.446 3.405 20 0 EGADRP Clc1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000290225020 456270402 /nfs/dbraw/zinc/27/04/02/456270402.db2.gz IGFZSZJOMRVOBK-AWEZNQCLSA-N 2 0 336.863 3.029 20 0 EGADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(C2CC2)CC1 ZINC000297676370 456274096 /nfs/dbraw/zinc/27/40/96/456274096.db2.gz OWQAPGLZYUXQSN-OAQYLSRUSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@]1(C)CCCO1 ZINC000340172652 456289404 /nfs/dbraw/zinc/28/94/04/456289404.db2.gz UJQAVUXGADNUEO-IKVWTGGYSA-N 2 0 346.515 3.343 20 0 EGADRP O[C@@H](c1ccccc1)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297833151 456305009 /nfs/dbraw/zinc/30/50/09/456305009.db2.gz ZUFAHMVWDUKEKM-FQEVSTJZSA-N 2 0 337.467 3.154 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC(F)F ZINC000290380031 456310741 /nfs/dbraw/zinc/31/07/41/456310741.db2.gz IBIGEALFMVSOPX-LSDHHAIUSA-N 2 0 340.414 3.213 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000290401962 456317960 /nfs/dbraw/zinc/31/79/60/456317960.db2.gz SXZFRWDMWIKFKX-UHFFFAOYSA-N 2 0 339.483 3.448 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297994807 456340054 /nfs/dbraw/zinc/34/00/54/456340054.db2.gz YZKPFIRONYEMPH-MOPGFXCFSA-N 2 0 345.531 3.075 20 0 EGADRP C[C@@H]1CN(CCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCCO1 ZINC000337267920 456342434 /nfs/dbraw/zinc/34/24/34/456342434.db2.gz WYHVIGXMXHYVIN-HBFSDRIKSA-N 2 0 331.504 3.198 20 0 EGADRP COc1cccc2c1ncc(C)c2N1CCN(Cc2cccnc2)CC1 ZINC000302722450 456383214 /nfs/dbraw/zinc/38/32/14/456383214.db2.gz PYFCYMNHJOMYRY-UHFFFAOYSA-N 2 0 348.450 3.269 20 0 EGADRP CCCc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000337576075 456392851 /nfs/dbraw/zinc/39/28/51/456392851.db2.gz IOICKJIVQOGIBQ-FQEVSTJZSA-N 2 0 345.531 3.127 20 0 EGADRP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000337584532 456401732 /nfs/dbraw/zinc/40/17/32/456401732.db2.gz DROKVCJLRBCOOV-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)CCC[NH+](C)C)cc1 ZINC000276227850 456419032 /nfs/dbraw/zinc/41/90/32/456419032.db2.gz NOZVIDMPDZRJGJ-UHFFFAOYSA-N 2 0 333.520 3.332 20 0 EGADRP Cc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000340399247 456437396 /nfs/dbraw/zinc/43/73/96/456437396.db2.gz BLPLQIDKFIGNJZ-UHFFFAOYSA-N 2 0 343.540 3.354 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398398 456437539 /nfs/dbraw/zinc/43/75/39/456437539.db2.gz ZWUGSHABVBNYNJ-MOPGFXCFSA-N 3 0 347.572 3.239 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(Cl)o2)[C@H](c2ccccc2)C1 ZINC000340401192 456438590 /nfs/dbraw/zinc/43/85/90/456438590.db2.gz SCZRCYBMFHMIKG-SFHVURJKSA-N 2 0 347.890 3.401 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000303739554 456481872 /nfs/dbraw/zinc/48/18/72/456481872.db2.gz HYHDBWDHDMQIPR-WOJBJXKFSA-N 2 0 329.532 3.294 20 0 EGADRP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000340494587 456492332 /nfs/dbraw/zinc/49/23/32/456492332.db2.gz FGDHCKPSUFWKLR-ZWKOTPCHSA-N 2 0 345.531 3.313 20 0 EGADRP CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000305095724 456524808 /nfs/dbraw/zinc/52/48/08/456524808.db2.gz SDSRTXMZXONUQM-DYESRHJHSA-N 2 0 347.547 3.104 20 0 EGADRP CC(C)[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000353161358 456532137 /nfs/dbraw/zinc/53/21/37/456532137.db2.gz CMEUEOCCRNLTBZ-OAQYLSRUSA-N 2 0 345.531 3.074 20 0 EGADRP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H](C)OC ZINC000291127630 456538450 /nfs/dbraw/zinc/53/84/50/456538450.db2.gz VVDUTEDWDQJCAV-KRWDZBQOSA-N 2 0 333.520 3.074 20 0 EGADRP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H](C)OC ZINC000291127631 456538568 /nfs/dbraw/zinc/53/85/68/456538568.db2.gz VVDUTEDWDQJCAV-QGZVFWFLSA-N 2 0 333.520 3.074 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cn(C(C)(C)C)nn1 ZINC000276644805 456540197 /nfs/dbraw/zinc/54/01/97/456540197.db2.gz RRADYWMCZHZYRT-QFBILLFUSA-N 2 0 341.503 3.033 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000340592422 456553668 /nfs/dbraw/zinc/55/36/68/456553668.db2.gz CCTXFAOQIZSPGM-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP CCOc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000353233272 456576170 /nfs/dbraw/zinc/57/61/70/456576170.db2.gz WTLJRJHHICXTCF-UHFFFAOYSA-N 2 0 338.517 3.011 20 0 EGADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310006569 456578608 /nfs/dbraw/zinc/57/86/08/456578608.db2.gz HZSHCVXBGJUJAG-HNNXBMFYSA-N 2 0 327.513 3.001 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000353242049 456581603 /nfs/dbraw/zinc/58/16/03/456581603.db2.gz HKAMTSLQYVKANN-FQEVSTJZSA-N 2 0 345.531 3.035 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000353265707 456597572 /nfs/dbraw/zinc/59/75/72/456597572.db2.gz ANNSNAFWUJWHLO-JXFKEZNVSA-N 2 0 345.531 3.033 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000343443818 456624860 /nfs/dbraw/zinc/62/48/60/456624860.db2.gz OKYJLKOCFIQGLH-OALUTQOASA-N 2 0 345.531 3.241 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000320718977 456632232 /nfs/dbraw/zinc/63/22/32/456632232.db2.gz VKXYKYLBBFPSDH-AOIWGVFYSA-N 2 0 346.515 3.464 20 0 EGADRP c1[nH]c2nccnc2c1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000291433437 456641644 /nfs/dbraw/zinc/64/16/44/456641644.db2.gz BJMOPGMYSGPREY-NRFANRHFSA-N 2 0 347.466 3.056 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000337993698 456643296 /nfs/dbraw/zinc/64/32/96/456643296.db2.gz SPCOEKDYQBREOT-NHCUHLMSSA-N 2 0 347.522 3.442 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000277022567 456655435 /nfs/dbraw/zinc/65/54/35/456655435.db2.gz DJNOVBVWLPTITC-QANQIFJLSA-N 2 0 348.506 3.218 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCOCC1 ZINC000277055414 456665526 /nfs/dbraw/zinc/66/55/26/456665526.db2.gz QTGNWJQANDXYDG-SFHVURJKSA-N 2 0 346.515 3.204 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000338187552 456692828 /nfs/dbraw/zinc/69/28/28/456692828.db2.gz MJTLHWKNHLVXMC-XLIONFOSSA-N 2 0 345.531 3.473 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353435428 456697609 /nfs/dbraw/zinc/69/76/09/456697609.db2.gz AAULIXHCJJFYSB-OALUTQOASA-N 2 0 329.488 3.389 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000338195562 456698829 /nfs/dbraw/zinc/69/88/29/456698829.db2.gz ZRGDYIYIPQXCSX-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000327265768 456704624 /nfs/dbraw/zinc/70/46/24/456704624.db2.gz CHDKAPFKXCHATQ-IBGZPJMESA-N 2 0 340.471 3.350 20 0 EGADRP C[NH+](C)[C@H]1CCCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171231 456706653 /nfs/dbraw/zinc/70/66/53/456706653.db2.gz KSSWGCPRCMBBFQ-VQTJNVASSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(-n2ccnc2)cc1 ZINC000277174775 456709485 /nfs/dbraw/zinc/70/94/85/456709485.db2.gz HBZKQLFCWABSOW-LSDHHAIUSA-N 2 0 344.459 3.436 20 0 EGADRP COc1ccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000291855077 456778105 /nfs/dbraw/zinc/77/81/05/456778105.db2.gz PEYCQFGDEWRQAH-PZJWPPBQSA-N 2 0 346.515 3.315 20 0 EGADRP Cc1cnc(CN[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n1C ZINC000341007475 456808012 /nfs/dbraw/zinc/80/80/12/456808012.db2.gz KLLZKLGOYQBUEI-LJQANCHMSA-N 2 0 340.515 3.291 20 0 EGADRP Cc1ccc(C[NH2+]CCc2cn3ccccc3n2)c(-c2ccnn2C)c1 ZINC000338423195 456809672 /nfs/dbraw/zinc/80/96/72/456809672.db2.gz JFSGFIGESIZAOO-UHFFFAOYSA-N 2 0 345.450 3.376 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CC[C@@H]4CCOC4)C3)CC2)cc1 ZINC000353649449 456829442 /nfs/dbraw/zinc/82/94/42/456829442.db2.gz XGDCOLRJMZWFMH-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP Cc1nccn1CCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000348755374 456842452 /nfs/dbraw/zinc/84/24/52/456842452.db2.gz GWAPYTNSEUIFER-GOSISDBHSA-N 2 0 344.528 3.287 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000338817218 456860935 /nfs/dbraw/zinc/86/09/35/456860935.db2.gz UJFSDMFCLAUFHZ-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(Cc3ccccn3)CC2)(N(C)C)C1 ZINC000341512401 456871882 /nfs/dbraw/zinc/87/18/82/456871882.db2.gz SHXHJQJMYZDLKO-WIYYLYMNSA-N 2 0 344.547 3.146 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)CC1 ZINC000349194241 456909973 /nfs/dbraw/zinc/90/99/73/456909973.db2.gz RRKHTGPNOAIDPI-WBVHZDCISA-N 2 0 335.517 3.158 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000339066168 456924263 /nfs/dbraw/zinc/92/42/63/456924263.db2.gz IGNDBBBQIYTPRD-LEWJYISDSA-N 3 0 327.516 3.115 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCC2 ZINC000339067391 456924605 /nfs/dbraw/zinc/92/46/05/456924605.db2.gz HGTIAAPSPQBSMX-NRFANRHFSA-N 2 0 329.532 3.236 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000353931432 456970318 /nfs/dbraw/zinc/97/03/18/456970318.db2.gz QANOGUXBHBUNSA-UHFFFAOYSA-N 2 0 332.488 3.351 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000353934814 456971916 /nfs/dbraw/zinc/97/19/16/456971916.db2.gz YIEQNPVYPMFFCQ-ATLSCFEFSA-N 2 0 332.488 3.412 20 0 EGADRP Oc1cc(F)cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000349561518 456988141 /nfs/dbraw/zinc/98/81/41/456988141.db2.gz BATPKMUXQCJZSO-UHFFFAOYSA-N 2 0 344.430 3.296 20 0 EGADRP CCc1nocc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000339248151 457017533 /nfs/dbraw/zinc/01/75/33/457017533.db2.gz HJZKZQLRCQWESS-UHFFFAOYSA-N 2 0 329.444 3.001 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1 ZINC000341967694 457030518 /nfs/dbraw/zinc/03/05/18/457030518.db2.gz PVSFZXLYXOWJJW-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP Cc1cc(N(C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)nc(C(C)C)n1 ZINC000362663359 457032759 /nfs/dbraw/zinc/03/27/59/457032759.db2.gz LFRJCKYWAYNCMF-IEBWSBKVSA-N 2 0 339.487 3.433 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CCCc2nn(C)cc21)N1CCc2ccccc2C1 ZINC000358911943 457034264 /nfs/dbraw/zinc/03/42/64/457034264.db2.gz DSWHDJORVMBUOT-UYAOXDASSA-N 2 0 338.499 3.224 20 0 EGADRP Cc1ccc(O)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000356535235 457042045 /nfs/dbraw/zinc/04/20/45/457042045.db2.gz XCKCDEHLWZPUKO-RTBURBONSA-N 2 0 337.467 3.050 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000354078622 457047902 /nfs/dbraw/zinc/04/79/02/457047902.db2.gz VMNGXCJUTAJWOD-MRXNPFEDSA-N 2 0 337.533 3.343 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288802 457071544 /nfs/dbraw/zinc/07/15/44/457071544.db2.gz NHSBWEGOSYJICP-ACJLOTCBSA-N 2 0 329.444 3.304 20 0 EGADRP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000339397646 457092588 /nfs/dbraw/zinc/09/25/88/457092588.db2.gz RUFKEYQSNIZPDY-IRXDYDNUSA-N 2 0 328.460 3.495 20 0 EGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)C[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC000354170786 457106770 /nfs/dbraw/zinc/10/67/70/457106770.db2.gz CTGZWRJEGBODTI-ZHALLVOQSA-N 2 0 348.535 3.001 20 0 EGADRP CC[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+](CC)CC ZINC000342107827 457111646 /nfs/dbraw/zinc/11/16/46/457111646.db2.gz RRTPJCQMUYDHRY-IBGZPJMESA-N 2 0 331.504 3.382 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCCOCC2)CC1 ZINC000356670457 457111949 /nfs/dbraw/zinc/11/19/49/457111949.db2.gz GDBJESUJNMQAPA-FUHWJXTLSA-N 2 0 349.494 3.187 20 0 EGADRP C(CC[N@@H+]1CCCO[C@H]2CCC[C@H]21)C[NH+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359866524 457136663 /nfs/dbraw/zinc/13/66/63/457136663.db2.gz IFBXPPGHDLXSJB-JVSBHGNQSA-N 2 0 336.520 3.053 20 0 EGADRP CCc1ccc(CN(C)C(=O)CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000350066067 457159811 /nfs/dbraw/zinc/15/98/11/457159811.db2.gz CVXPXLGSVRCUNR-FXAWDEMLSA-N 2 0 345.531 3.012 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000356784942 457165864 /nfs/dbraw/zinc/16/58/64/457165864.db2.gz VNBYTFBASHFTCK-SFHVURJKSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccccc2C[NH+](C)C)c1 ZINC000362953955 457172142 /nfs/dbraw/zinc/17/21/42/457172142.db2.gz FDDRBPTUXBAXGG-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cn1 ZINC000359972959 457179719 /nfs/dbraw/zinc/17/97/19/457179719.db2.gz ZKHIXQSNWOPBRP-KBXCAEBGSA-N 2 0 345.874 3.152 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)CC2(C)C)cc1 ZINC000346897313 457189338 /nfs/dbraw/zinc/18/93/38/457189338.db2.gz DUYFBZZBBNBYJL-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000347039000 457197520 /nfs/dbraw/zinc/19/75/20/457197520.db2.gz ZLMCYOBMPFEYOV-MSOLQXFVSA-N 2 0 345.531 3.276 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1)CC1CC1 ZINC000356894876 457203866 /nfs/dbraw/zinc/20/38/66/457203866.db2.gz OCGWLFQRTCRCNG-HDICACEKSA-N 2 0 349.563 3.220 20 0 EGADRP CCOc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc(Cl)c1OC ZINC000347063143 457210931 /nfs/dbraw/zinc/21/09/31/457210931.db2.gz IQAUMUGWQVICOJ-GFCCVEGCSA-N 2 0 326.868 3.307 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000360041297 457219471 /nfs/dbraw/zinc/21/94/71/457219471.db2.gz PDWMYNABVSVUJZ-SZMVWBNQSA-N 2 0 329.488 3.237 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000354444845 457226480 /nfs/dbraw/zinc/22/64/80/457226480.db2.gz YJTBHHCAFNWWDM-ZHALLVOQSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1)C1CC1 ZINC000360084185 457247185 /nfs/dbraw/zinc/24/71/85/457247185.db2.gz JEFQHHKZSCOXDR-GOSISDBHSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342349086 457250220 /nfs/dbraw/zinc/25/02/20/457250220.db2.gz QLWJXQIMQSJIGG-QUCCMNQESA-N 2 0 338.536 3.159 20 0 EGADRP c1nc(NCC2CC2)cc(N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000340021274 457320742 /nfs/dbraw/zinc/32/07/42/457320742.db2.gz WXZGGJNTFQCKGK-UHFFFAOYSA-N 2 0 343.519 3.391 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000357109121 457327593 /nfs/dbraw/zinc/32/75/93/457327593.db2.gz HGAUCJIBJSXYPO-BZSNNMDCSA-N 2 0 345.531 3.406 20 0 EGADRP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000357119607 457333160 /nfs/dbraw/zinc/33/31/60/457333160.db2.gz KAYYIPURHRJODZ-IBGZPJMESA-N 2 0 335.536 3.166 20 0 EGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000363671322 457407772 /nfs/dbraw/zinc/40/77/72/457407772.db2.gz KZCVIGHMIHWOHY-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000352503428 457421384 /nfs/dbraw/zinc/42/13/84/457421384.db2.gz GELZMFLLPBVZAK-KRWDZBQOSA-N 2 0 325.456 3.372 20 0 EGADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382757565 457424082 /nfs/dbraw/zinc/42/40/82/457424082.db2.gz RCSHMGPCTAGABY-OAQYLSRUSA-N 3 0 329.532 3.220 20 0 EGADRP Cn1cc(C[N@H+](CCC[NH3+])CC2CCCC2)c(-c2cccs2)n1 ZINC000352526705 457439845 /nfs/dbraw/zinc/43/98/45/457439845.db2.gz QVWQJOSNUOUJGH-UHFFFAOYSA-N 2 0 332.517 3.490 20 0 EGADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000392294480 457459375 /nfs/dbraw/zinc/45/93/75/457459375.db2.gz PRQGFJQMXGJPCR-WBVHZDCISA-N 2 0 337.508 3.016 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2c(c1)CCCC2)N1CC[NH+](C)CC1 ZINC000392915732 457462146 /nfs/dbraw/zinc/46/21/46/457462146.db2.gz VGJZYSNTQPTDRZ-XMSQKQJNSA-N 2 0 343.559 3.488 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000357384573 457485349 /nfs/dbraw/zinc/48/53/49/457485349.db2.gz FKXJMEFYQZSBBW-QFBILLFUSA-N 2 0 331.504 3.129 20 0 EGADRP Cc1ccccc1CCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000364136897 457494322 /nfs/dbraw/zinc/49/43/22/457494322.db2.gz XJHPMOKDJRBMIZ-NRFANRHFSA-N 2 0 329.532 3.028 20 0 EGADRP CSC1(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000356183316 457512737 /nfs/dbraw/zinc/51/27/37/457512737.db2.gz NWELJVMETADSCP-IBGZPJMESA-N 2 0 347.572 3.241 20 0 EGADRP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401071425 457522848 /nfs/dbraw/zinc/52/28/48/457522848.db2.gz AYGRSGPYPRONRE-JTNHKYCSSA-N 2 0 327.241 3.066 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000401130665 457524159 /nfs/dbraw/zinc/52/41/59/457524159.db2.gz NQDBLWSSNBFNJB-GHRYLNIYSA-N 2 0 327.516 3.017 20 0 EGADRP CN(C)c1cc[nH+]cc1CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374279595 457563564 /nfs/dbraw/zinc/56/35/64/457563564.db2.gz KXSPBCTXIWBLBG-NRFANRHFSA-N 2 0 338.499 3.149 20 0 EGADRP CO[C@@H](C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000425483641 457572726 /nfs/dbraw/zinc/57/27/26/457572726.db2.gz RTGIFPZOYGHNHS-FQEVSTJZSA-N 2 0 328.500 3.400 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]3CN(CCC[NH+]4CCCCC4)C[C@H]32)cc1 ZINC000425502533 457579013 /nfs/dbraw/zinc/57/90/13/457579013.db2.gz QAJGIGPBGHUKTG-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]C/C=C/c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000352756189 457584618 /nfs/dbraw/zinc/58/46/18/457584618.db2.gz OXGNBBUSTJTDAQ-DOOVEFGSSA-N 2 0 338.442 3.457 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000370268040 457605013 /nfs/dbraw/zinc/60/50/13/457605013.db2.gz VJEPDAKAPZSGAB-WIYYLYMNSA-N 2 0 346.515 3.453 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000425943286 457656754 /nfs/dbraw/zinc/65/67/54/457656754.db2.gz QETMKARUZOFBKR-CVEARBPZSA-N 2 0 334.508 3.409 20 0 EGADRP Cc1cccc(C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)c1 ZINC000370633866 457687177 /nfs/dbraw/zinc/68/71/77/457687177.db2.gz IZMIVYDOROVDOT-UNMCSNQZSA-N 2 0 341.543 3.074 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000357789892 457690804 /nfs/dbraw/zinc/69/08/04/457690804.db2.gz FSCUZIZFNLOBPK-GGPKGHCWSA-N 2 0 343.515 3.030 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CCN(CC[NH+]2CCCCC2)CC3)cc1 ZINC000370649521 457690806 /nfs/dbraw/zinc/69/08/06/457690806.db2.gz FHSKVFWPIZHVRT-UHFFFAOYSA-N 2 0 341.543 3.460 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000357809293 457697959 /nfs/dbraw/zinc/69/79/59/457697959.db2.gz WCESYVSVIQTRKR-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000370683321 457699594 /nfs/dbraw/zinc/69/95/94/457699594.db2.gz JGHLCCMPIWMIRQ-JAXLGGSGSA-N 2 0 341.543 3.255 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357860441 457715215 /nfs/dbraw/zinc/71/52/15/457715215.db2.gz XGHZWSRHFJWDOO-ICSRJNTNSA-N 2 0 344.547 3.004 20 0 EGADRP CN1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000361431984 457730387 /nfs/dbraw/zinc/73/03/87/457730387.db2.gz HXPBFCJCNWOTPK-OAHLLOKOSA-N 2 0 335.458 3.113 20 0 EGADRP C[C@H](CC[NH2+]C1CCN(CCC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC000361456119 457737991 /nfs/dbraw/zinc/73/79/91/457737991.db2.gz IBBMEYCLQOZCPM-OAHLLOKOSA-N 2 0 335.458 3.257 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000358013427 457739413 /nfs/dbraw/zinc/73/94/13/457739413.db2.gz LGZLQMPHBDWGCN-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CC1(C)CN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2cccc(Cl)c21 ZINC000433114794 457759994 /nfs/dbraw/zinc/75/99/94/457759994.db2.gz HZGZWLIVGQEFEW-UHFFFAOYSA-N 2 0 349.906 3.168 20 0 EGADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443599655 457785176 /nfs/dbraw/zinc/78/51/76/457785176.db2.gz HENYAXNKEHGIJM-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000443600109 457785496 /nfs/dbraw/zinc/78/54/96/457785496.db2.gz LDDQHOMTRJOAQC-KDURUIRLSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](c1cccnc1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371154681 457809763 /nfs/dbraw/zinc/80/97/63/457809763.db2.gz FJFLFHJWXLGULK-GOSISDBHSA-N 2 0 344.547 3.271 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000358180969 457840623 /nfs/dbraw/zinc/84/06/23/457840623.db2.gz SLFNNOZZKBWLOJ-QRWLVFNGSA-N 2 0 346.446 3.150 20 0 EGADRP c1ncn([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411247646 457841256 /nfs/dbraw/zinc/84/12/56/457841256.db2.gz RCJPOCWKPXAVMC-HXUWFJFHSA-N 2 0 339.487 3.101 20 0 EGADRP COc1ccc(Cl)cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300337 457854231 /nfs/dbraw/zinc/85/42/31/457854231.db2.gz OKXQFQHIIQWUJE-LZLYRXPVSA-N 2 0 338.879 3.032 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cccc(C(F)(F)F)c1 ZINC000371301180 457854670 /nfs/dbraw/zinc/85/46/70/457854670.db2.gz SPIZRRALZUHLPA-IKGGRYGDSA-N 2 0 342.405 3.389 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371317353 457863610 /nfs/dbraw/zinc/86/36/10/457863610.db2.gz PRAQMZLNWRODGE-MBOZVWFJSA-N 2 0 327.516 3.301 20 0 EGADRP COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411403844 457876593 /nfs/dbraw/zinc/87/65/93/457876593.db2.gz XLOFMHWHIDRERB-LJQANCHMSA-N 2 0 330.472 3.200 20 0 EGADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1(CCO)CCOCC1 ZINC000411491939 457902835 /nfs/dbraw/zinc/90/28/35/457902835.db2.gz FTQUBEXGLGVIBV-UHFFFAOYSA-N 2 0 346.515 3.036 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCSC1CCCCC1 ZINC000367042340 457924421 /nfs/dbraw/zinc/92/44/21/457924421.db2.gz GMBNQNIODBOACP-NJAFHUGGSA-N 2 0 326.550 3.236 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)Cc1csc(C(=O)OC)c1 ZINC000411632435 457934045 /nfs/dbraw/zinc/93/40/45/457934045.db2.gz PQRSCMMAHQOTJT-UHFFFAOYSA-N 2 0 335.473 3.206 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427124382 457947661 /nfs/dbraw/zinc/94/76/61/457947661.db2.gz QYYNEKXCUBQTSF-IEBWSBKVSA-N 2 0 332.451 3.209 20 0 EGADRP CON1CCC([N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411818699 457985172 /nfs/dbraw/zinc/98/51/72/457985172.db2.gz POWPOKYNVORBJA-UHFFFAOYSA-N 2 0 331.504 3.130 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2cncc(F)c2)CC1 ZINC000434645208 458027997 /nfs/dbraw/zinc/02/79/97/458027997.db2.gz YJFFGDXKQJCMBK-LJQANCHMSA-N 2 0 328.435 3.102 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687913 458036433 /nfs/dbraw/zinc/03/64/33/458036433.db2.gz GIGIXIXJFUTELS-SFHVURJKSA-N 2 0 330.520 3.273 20 0 EGADRP O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]2C1 ZINC000412040677 458059050 /nfs/dbraw/zinc/05/90/50/458059050.db2.gz ISWSHXCTRMOODA-PCCBWWKXSA-N 2 0 328.500 3.265 20 0 EGADRP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000428276774 458111408 /nfs/dbraw/zinc/11/14/08/458111408.db2.gz MUHTXNWNDFPTEI-AWEZNQCLSA-N 2 0 340.870 3.112 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000375906095 458118730 /nfs/dbraw/zinc/11/87/30/458118730.db2.gz OFVVMSWNHMDOBB-FPOVZHCZSA-N 2 0 327.516 3.164 20 0 EGADRP C[C@@H]([NH2+]CCN1CCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428325737 458120903 /nfs/dbraw/zinc/12/09/03/458120903.db2.gz NTMJXVMSSQLVKP-MJGOQNOKSA-N 2 0 327.516 3.292 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000435376147 458126946 /nfs/dbraw/zinc/12/69/46/458126946.db2.gz PUCWJYDVXQDJCX-CJNGLKHVSA-N 2 0 346.906 3.371 20 0 EGADRP CC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435623433 458175276 /nfs/dbraw/zinc/17/52/76/458175276.db2.gz CONJWYNAQTZODD-INIZCTEOSA-N 2 0 348.878 3.397 20 0 EGADRP CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435628404 458176450 /nfs/dbraw/zinc/17/64/50/458176450.db2.gz QPFWRPFHDZGSLF-LBPRGKRZSA-N 2 0 344.286 3.396 20 0 EGADRP [NH3+][C@@H]1CC[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000435723286 458190228 /nfs/dbraw/zinc/19/02/28/458190228.db2.gz NUHGSBASDKJOFV-DLBZAZTESA-N 2 0 326.444 3.317 20 0 EGADRP CCc1nc(C)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000428962959 458242142 /nfs/dbraw/zinc/24/21/42/458242142.db2.gz CYGFRDXAAZNKAO-HDICACEKSA-N 2 0 325.456 3.109 20 0 EGADRP COc1ccc2nc(C[NH2+]CC3CC[NH+](C4CC4)CC3)sc2c1 ZINC000446887610 458242496 /nfs/dbraw/zinc/24/24/96/458242496.db2.gz WGKRERZDWXBHSN-UHFFFAOYSA-N 2 0 331.485 3.269 20 0 EGADRP CCCc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000376326484 458268193 /nfs/dbraw/zinc/26/81/93/458268193.db2.gz ZLWIQVQETKWNOJ-RXVVDRJESA-N 2 0 329.532 3.097 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469520 458309732 /nfs/dbraw/zinc/30/97/32/458309732.db2.gz RZGRJFQIAUEARU-PXNSSMCTSA-N 2 0 327.516 3.286 20 0 EGADRP Oc1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1Br ZINC000459355442 458341056 /nfs/dbraw/zinc/34/10/56/458341056.db2.gz MZLCHOBFTXKQCD-CQSZACIVSA-N 2 0 349.228 3.203 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3cnc(C4CC4)nc3)CC2)c1 ZINC000459391601 458357089 /nfs/dbraw/zinc/35/70/89/458357089.db2.gz RKNUCSKXQIWXFH-UHFFFAOYSA-N 2 0 342.512 3.417 20 0 EGADRP Fc1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1Br ZINC000376729741 458378437 /nfs/dbraw/zinc/37/84/37/458378437.db2.gz SCZQUOHAJFYQKM-UHFFFAOYSA-N 2 0 338.224 3.411 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423428467 458431154 /nfs/dbraw/zinc/43/11/54/458431154.db2.gz RIFUACYGDRNUJB-BZUAXINKSA-N 2 0 344.503 3.386 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@H](C)C1 ZINC000423435927 458432795 /nfs/dbraw/zinc/43/27/95/458432795.db2.gz DYCZMMMFWQUPBD-YLJYHZDGSA-N 2 0 345.531 3.271 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000423489796 458442561 /nfs/dbraw/zinc/44/25/61/458442561.db2.gz GXCSZTBEFCODPH-BFVZDQMLSA-N 2 0 327.241 3.293 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000423498206 458443238 /nfs/dbraw/zinc/44/32/38/458443238.db2.gz GPHVFMUCGYNCOY-SDDRHHMPSA-N 2 0 327.266 3.236 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000423506053 458445812 /nfs/dbraw/zinc/44/58/12/458445812.db2.gz LXFSOKAZFMGGKO-PVUWLOKVSA-N 2 0 337.305 3.487 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531931 458453248 /nfs/dbraw/zinc/45/32/48/458453248.db2.gz QPBKXWCFOFXUPA-KDXIVRHGSA-N 2 0 335.495 3.167 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459727984 458459860 /nfs/dbraw/zinc/45/98/60/458459860.db2.gz CIHAXRDVMRGMEW-AWEZNQCLSA-N 2 0 332.517 3.403 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430548269 458459988 /nfs/dbraw/zinc/45/99/88/458459988.db2.gz BUBBVKQACYNLPY-WMZOPIPTSA-N 2 0 325.456 3.220 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000430559290 458460799 /nfs/dbraw/zinc/46/07/99/458460799.db2.gz CUUQADUWQPASMD-UHFFFAOYSA-N 2 0 348.878 3.254 20 0 EGADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000459729682 458460869 /nfs/dbraw/zinc/46/08/69/458460869.db2.gz DIAKDHONJOKMFU-QGZVFWFLSA-N 2 0 326.488 3.217 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000430576737 458465048 /nfs/dbraw/zinc/46/50/48/458465048.db2.gz WXGYJDRMCBNBND-UHFFFAOYSA-N 2 0 341.455 3.204 20 0 EGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000430583730 458466703 /nfs/dbraw/zinc/46/67/03/458466703.db2.gz NCWUNSCGWLRBFO-FQEVSTJZSA-N 2 0 327.472 3.466 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000430592344 458467557 /nfs/dbraw/zinc/46/75/57/458467557.db2.gz QHEIOICYKJEOJZ-SJORKVTESA-N 2 0 345.531 3.136 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000430589361 458467852 /nfs/dbraw/zinc/46/78/52/458467852.db2.gz HXROMYHOEUNYDG-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1cccc2ccccc21 ZINC000430598392 458469705 /nfs/dbraw/zinc/46/97/05/458469705.db2.gz CXZZMMCGDSMNHZ-HOTGVXAUSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000430618792 458471349 /nfs/dbraw/zinc/47/13/49/458471349.db2.gz WYPHJOVHIRBMKE-IUODEOHRSA-N 2 0 343.393 3.236 20 0 EGADRP C[NH2+]C[C@@H]1CCCN([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612410 458471843 /nfs/dbraw/zinc/47/18/43/458471843.db2.gz RFECRGVXQYCDMA-KBPBESRZSA-N 2 0 332.423 3.177 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459780938 458477972 /nfs/dbraw/zinc/47/79/72/458477972.db2.gz LZZFAESXHBPNRH-IAGOWNOFSA-N 2 0 331.504 3.288 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000459792559 458479835 /nfs/dbraw/zinc/47/98/35/458479835.db2.gz SKKZQXIHPBINOE-NVXWUHKLSA-N 2 0 334.504 3.265 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000373392862 458480715 /nfs/dbraw/zinc/48/07/15/458480715.db2.gz KDSOMSJGJTUXHJ-FPOVZHCZSA-N 2 0 329.532 3.184 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000430853007 458497976 /nfs/dbraw/zinc/49/79/76/458497976.db2.gz UWXDSYROODNMNR-BRWVUGGUSA-N 2 0 349.544 3.299 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437859100 458503368 /nfs/dbraw/zinc/50/33/68/458503368.db2.gz NCYGDRKYTXRWMO-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000430944231 458509094 /nfs/dbraw/zinc/50/90/94/458509094.db2.gz LJKYTLWGMZBVAC-HNNXBMFYSA-N 2 0 325.456 3.098 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000430950113 458509984 /nfs/dbraw/zinc/50/99/84/458509984.db2.gz GAZAWZRGBWZCFE-CYBMUJFWSA-N 2 0 332.423 3.177 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1cccc2ccccc21 ZINC000430964988 458510950 /nfs/dbraw/zinc/51/09/50/458510950.db2.gz HDRXRWUEOMWSML-JKSUJKDBSA-N 2 0 339.483 3.076 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431042658 458520848 /nfs/dbraw/zinc/52/08/48/458520848.db2.gz JSWXPUIDHJJNEX-MRXNPFEDSA-N 2 0 329.488 3.213 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000431052563 458522157 /nfs/dbraw/zinc/52/21/57/458522157.db2.gz YAMUWRIFFNZSFP-VQTJNVASSA-N 2 0 345.531 3.441 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000431063232 458523824 /nfs/dbraw/zinc/52/38/24/458523824.db2.gz YVILCOKMNVYUQP-GSEOLPGOSA-N 2 0 343.515 3.236 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(Br)c2)[C@H](C)C1 ZINC000468548162 458526884 /nfs/dbraw/zinc/52/68/84/458526884.db2.gz NRGYFANFRSZEDO-CJNGLKHVSA-N 2 0 325.294 3.312 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438210352 458548514 /nfs/dbraw/zinc/54/85/14/458548514.db2.gz UVRSUUJZHCTAQG-HBMCJLEFSA-N 2 0 330.516 3.179 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1)C(C)C ZINC000424063933 458548916 /nfs/dbraw/zinc/54/89/16/458548916.db2.gz DJJKRUDVYVXVQH-QKLQHJQFSA-N 2 0 345.531 3.362 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1)C(C)C ZINC000424063938 458549156 /nfs/dbraw/zinc/54/91/56/458549156.db2.gz DJJKRUDVYVXVQH-UWVAXJGDSA-N 2 0 345.531 3.362 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000424080424 458553160 /nfs/dbraw/zinc/55/31/60/458553160.db2.gz VOPMIVPWCWDUGP-UWVAXJGDSA-N 2 0 345.531 3.364 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424133110 458566925 /nfs/dbraw/zinc/56/69/25/458566925.db2.gz IYHBGOCEAMHADP-FQEVSTJZSA-N 2 0 345.531 3.442 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cccs1 ZINC000431569836 458590163 /nfs/dbraw/zinc/59/01/63/458590163.db2.gz HRBVIDLABQTWTE-IRXDYDNUSA-N 2 0 349.544 3.264 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000462120407 458596455 /nfs/dbraw/zinc/59/64/55/458596455.db2.gz JNFIOATUUXYTIT-AWEZNQCLSA-N 2 0 342.886 3.094 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424283368 458603417 /nfs/dbraw/zinc/60/34/17/458603417.db2.gz BMDFHTBKFOPGHE-UHFFFAOYSA-N 2 0 340.471 3.111 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Br)s1)CC[NH2+]CC2 ZINC000424301998 458609680 /nfs/dbraw/zinc/60/96/80/458609680.db2.gz YQQINUZLGBVGTA-LLVKDONJSA-N 2 0 329.307 3.475 20 0 EGADRP [NH3+]C[C@@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301778 458609860 /nfs/dbraw/zinc/60/98/60/458609860.db2.gz LIDFMSBGXGKTIU-ICSRJNTNSA-N 2 0 347.522 3.456 20 0 EGADRP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424306929 458610628 /nfs/dbraw/zinc/61/06/28/458610628.db2.gz WKQZMAFMQMPEAQ-WMZOPIPTSA-N 2 0 330.451 3.055 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000431753372 458617974 /nfs/dbraw/zinc/61/79/74/458617974.db2.gz KCINMKGPKGYFKG-HXUWFJFHSA-N 2 0 343.515 3.032 20 0 EGADRP CCCc1csc(CN[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)n1 ZINC000494045684 458619144 /nfs/dbraw/zinc/61/91/44/458619144.db2.gz BULODYJPKQHJOF-DOTOQJQBSA-N 2 0 339.549 3.322 20 0 EGADRP [NH3+]Cc1ccc(-c2noc(CC[C@@H]([NH3+])CC3CCCCC3)n2)cc1 ZINC000424342629 458622781 /nfs/dbraw/zinc/62/27/81/458622781.db2.gz YNWGWPQBTJXMIS-QGZVFWFLSA-N 2 0 328.460 3.426 20 0 EGADRP CCOCc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424368992 458626893 /nfs/dbraw/zinc/62/68/93/458626893.db2.gz BBPMNPNKUGZLJM-INIZCTEOSA-N 2 0 332.488 3.196 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1c(C3CC3)nc3sccn13)CC[NH2+]CC2 ZINC000424373441 458627353 /nfs/dbraw/zinc/62/73/53/458627353.db2.gz GVUIZEHIJYIOKT-ZDUSSCGKSA-N 2 0 330.501 3.237 20 0 EGADRP CCCOc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424376283 458629323 /nfs/dbraw/zinc/62/93/23/458629323.db2.gz KVYHPZBNWKFCBC-INIZCTEOSA-N 2 0 332.488 3.448 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494349264 458662296 /nfs/dbraw/zinc/66/22/96/458662296.db2.gz LFUBOAKKXGSDAN-OXQOHEQNSA-N 2 0 341.499 3.484 20 0 EGADRP CCOC(=O)CCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471014041 458674234 /nfs/dbraw/zinc/67/42/34/458674234.db2.gz ZEARWWXBUALSOJ-BGYRXZFFSA-N 2 0 344.499 3.174 20 0 EGADRP CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000494635240 458715192 /nfs/dbraw/zinc/71/51/92/458715192.db2.gz FVFQCNZTWYIZNF-YSIASYRMSA-N 2 0 343.515 3.203 20 0 EGADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc12 ZINC000432358687 458723682 /nfs/dbraw/zinc/72/36/82/458723682.db2.gz NFDXHBWDAVTJGT-KRWDZBQOSA-N 2 0 342.483 3.439 20 0 EGADRP Fc1cccc(Cl)c1CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241026 458728027 /nfs/dbraw/zinc/72/80/27/458728027.db2.gz OZWWXIORHXQWOJ-OAHLLOKOSA-N 2 0 340.870 3.112 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)C2CC2)c1 ZINC000432418098 458735813 /nfs/dbraw/zinc/73/58/13/458735813.db2.gz PXZISPZPIWWSJU-NQIIRXRSSA-N 2 0 330.516 3.407 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000547733604 458782093 /nfs/dbraw/zinc/78/20/93/458782093.db2.gz WHPXJYOYFQBBMS-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000495077336 458794813 /nfs/dbraw/zinc/79/48/13/458794813.db2.gz FBXLSCVZARARJR-NQIIRXRSSA-N 2 0 329.532 3.452 20 0 EGADRP Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000432878329 458805477 /nfs/dbraw/zinc/80/54/77/458805477.db2.gz IADUPXXSAXUXIE-HNNXBMFYSA-N 2 0 331.435 3.017 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000474738541 458899373 /nfs/dbraw/zinc/89/93/73/458899373.db2.gz SSHAIBVUMXGOGR-CTNGQTDRSA-N 2 0 331.548 3.289 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000519096445 458915095 /nfs/dbraw/zinc/91/50/95/458915095.db2.gz FZMVYQADSBAADL-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1(C)C ZINC000441328010 458919251 /nfs/dbraw/zinc/91/92/51/458919251.db2.gz APGMLISPVFQKBF-UHFFFAOYSA-N 2 0 348.293 3.248 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2csc(Cl)c2Cl)CC1(C)C ZINC000441355379 458926076 /nfs/dbraw/zinc/92/60/76/458926076.db2.gz JNVCBORPYNCWMT-UHFFFAOYSA-N 2 0 336.332 3.171 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000566437341 458933409 /nfs/dbraw/zinc/93/34/09/458933409.db2.gz ZNJKKWRUSKLSTC-UHFFFAOYSA-N 2 0 345.531 3.127 20 0 EGADRP Cc1nc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000566496587 458947775 /nfs/dbraw/zinc/94/77/75/458947775.db2.gz JPXHJYFOVRMZJH-DNVCBOLYSA-N 2 0 326.488 3.417 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495803929 458960451 /nfs/dbraw/zinc/96/04/51/458960451.db2.gz MVKBFAASBUIZPR-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000519698469 458989679 /nfs/dbraw/zinc/98/96/79/458989679.db2.gz YWLKUOIIIMXRGX-UXHICEINSA-N 2 0 348.531 3.287 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000577183183 458993002 /nfs/dbraw/zinc/99/30/02/458993002.db2.gz USYRAZRBWRCMPS-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531940977 459003197 /nfs/dbraw/zinc/00/31/97/459003197.db2.gz KRIYQYTYQOKOMM-LJQANCHMSA-N 2 0 335.923 3.335 20 0 EGADRP [NH3+]C1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCCC1 ZINC000442752824 459031614 /nfs/dbraw/zinc/03/16/14/459031614.db2.gz SVAJYCZTMTTWDG-UHFFFAOYSA-N 2 0 326.444 3.451 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCOCC4CCC4)[C@@H]3C2)cc1 ZINC000577434107 459032071 /nfs/dbraw/zinc/03/20/71/459032071.db2.gz GUFUKRNZCJQSQS-PWRODBHTSA-N 2 0 328.500 3.303 20 0 EGADRP c1c(C[NH2+][C@@H]2CCC[NH2+]CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000556939342 459035412 /nfs/dbraw/zinc/03/54/12/459035412.db2.gz WDFXDRPPEWWQMJ-LJQANCHMSA-N 2 0 347.466 3.166 20 0 EGADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000442810582 459040692 /nfs/dbraw/zinc/04/06/92/459040692.db2.gz MRIGONYSZPOZEI-XKRYSZRTSA-N 2 0 328.500 3.444 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C2CCCC2)o1 ZINC000442871103 459048413 /nfs/dbraw/zinc/04/84/13/459048413.db2.gz HBAXZWSWSZTEQK-LJQANCHMSA-N 2 0 333.520 3.435 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442890316 459055609 /nfs/dbraw/zinc/05/56/09/459055609.db2.gz OMFIZUXASOVQJO-BEFAXECRSA-N 2 0 333.495 3.065 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000442928483 459061719 /nfs/dbraw/zinc/06/17/19/459061719.db2.gz PLPKBUBMXUXZRO-QGZVFWFLSA-N 2 0 325.456 3.221 20 0 EGADRP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000557316711 459063934 /nfs/dbraw/zinc/06/39/34/459063934.db2.gz HCPGPDZOQAVYAB-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(C)(C)O ZINC000477868762 459064067 /nfs/dbraw/zinc/06/40/67/459064067.db2.gz VZHDVPNAUKKNLP-WCIQWLHISA-N 2 0 330.516 3.282 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)ccc1F ZINC000443076522 459085543 /nfs/dbraw/zinc/08/55/43/459085543.db2.gz SPLKLDCMGOVVMD-KGLIPLIRSA-N 2 0 332.423 3.306 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000532520557 459104823 /nfs/dbraw/zinc/10/48/23/459104823.db2.gz AKGDVMJOZGHKDW-FGTMMUONSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)cc1 ZINC000594649637 459121769 /nfs/dbraw/zinc/12/17/69/459121769.db2.gz ZJCBFOCUYNUKHV-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000577948028 459122241 /nfs/dbraw/zinc/12/22/41/459122241.db2.gz LKTCUEORHWJRKC-WIYYLYMNSA-N 2 0 326.484 3.065 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000577963867 459124179 /nfs/dbraw/zinc/12/41/79/459124179.db2.gz QWCBRBRDTBQRIS-LMMKCTJWSA-N 2 0 331.504 3.082 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496363389 459166826 /nfs/dbraw/zinc/16/68/26/459166826.db2.gz OJPIZSDTPXTLNC-YQVWRLOYSA-N 2 0 345.487 3.147 20 0 EGADRP Fc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)co2)cc1F ZINC000578240063 459168622 /nfs/dbraw/zinc/16/86/22/459168622.db2.gz FZYGXHSNKSRASK-OAHLLOKOSA-N 2 0 347.409 3.441 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000567990662 459204567 /nfs/dbraw/zinc/20/45/67/459204567.db2.gz UYBMBJSYXMHWBR-HOTGVXAUSA-N 2 0 343.496 3.250 20 0 EGADRP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000559071197 459234788 /nfs/dbraw/zinc/23/47/88/459234788.db2.gz LSUZCQIEKSPFBO-TZIWHRDSSA-N 2 0 348.506 3.317 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000595100849 459245729 /nfs/dbraw/zinc/24/57/29/459245729.db2.gz BBZVHYYMZJCQRN-NPMXOYFQSA-N 2 0 334.529 3.197 20 0 EGADRP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000481709845 459270080 /nfs/dbraw/zinc/27/00/80/459270080.db2.gz ASHQYPAVRHKXLZ-CZUORRHYSA-N 2 0 325.294 3.496 20 0 EGADRP Cc1cc2[nH]c(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2c(C)c1 ZINC000481985589 459284665 /nfs/dbraw/zinc/28/46/65/459284665.db2.gz PXFQOMDLKAMQAN-KRWDZBQOSA-N 2 0 343.515 3.309 20 0 EGADRP CC(C)c1[nH+]c(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2ccccn21 ZINC000568634236 459320201 /nfs/dbraw/zinc/32/02/01/459320201.db2.gz HCMCGYSUCYZBFK-AEFFLSMTSA-N 2 0 326.488 3.374 20 0 EGADRP Cc1ccc(-c2csc(CN3CCN(c4ncc[nH]4)CC3)n2)cc1 ZINC000568778682 459343913 /nfs/dbraw/zinc/34/39/13/459343913.db2.gz IOVXSRHMPRVJER-UHFFFAOYSA-N 2 0 339.468 3.164 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000591451734 459384200 /nfs/dbraw/zinc/38/42/00/459384200.db2.gz HJRXRXRYUGKVPV-RTBURBONSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Br)c1 ZINC000483817475 459394836 /nfs/dbraw/zinc/39/48/36/459394836.db2.gz KLESMMOBDARPGW-UMVBOHGHSA-N 2 0 341.293 3.289 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(I)cc1 ZINC000591578257 459406480 /nfs/dbraw/zinc/40/64/80/459406480.db2.gz HFRPOWDKMXJRLY-SMDDNHRTSA-N 2 0 344.240 3.084 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000560944266 459407690 /nfs/dbraw/zinc/40/76/90/459407690.db2.gz CEYNWJDPUZUPRJ-CHWSQXEVSA-N 2 0 343.393 3.012 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000497130114 459452218 /nfs/dbraw/zinc/45/22/18/459452218.db2.gz MULWBFWENJWMBR-CABCVRRESA-N 2 0 339.524 3.142 20 0 EGADRP Cc1ccc(NC(=O)CC[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc1 ZINC000569474853 459459198 /nfs/dbraw/zinc/45/91/98/459459198.db2.gz SSESYZIYDXBQCV-ROUUACIJSA-N 2 0 346.519 3.066 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000582966886 459459461 /nfs/dbraw/zinc/45/94/61/459459461.db2.gz UKCGDEAFKFSFBG-PXNSSMCTSA-N 2 0 345.531 3.258 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000569567906 459472837 /nfs/dbraw/zinc/47/28/37/459472837.db2.gz QFSODOJJMPQZLK-UHFFFAOYSA-N 2 0 332.492 3.038 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000569744236 459503359 /nfs/dbraw/zinc/50/33/59/459503359.db2.gz LMQQCMXNZFWJAB-MRVWCRGKSA-N 2 0 327.266 3.076 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000583251059 459509563 /nfs/dbraw/zinc/50/95/63/459509563.db2.gz MEJFZXIAXLHUON-QGZVFWFLSA-N 2 0 344.503 3.325 20 0 EGADRP CCc1ccccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000526083373 459544878 /nfs/dbraw/zinc/54/48/78/459544878.db2.gz NXUPLNRRMRNDIB-KDURUIRLSA-N 2 0 329.532 3.239 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000583592023 459563605 /nfs/dbraw/zinc/56/36/05/459563605.db2.gz OPVOMKBZZHXOKW-CQSZACIVSA-N 2 0 327.472 3.096 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000498347261 459582134 /nfs/dbraw/zinc/58/21/34/459582134.db2.gz WNEYIZULINFRSK-FXAWDEMLSA-N 2 0 345.531 3.495 20 0 EGADRP Cc1nc2cc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)ccc2n1C1CC1 ZINC000572898712 459592072 /nfs/dbraw/zinc/59/20/72/459592072.db2.gz IEKFSRWNVDBSPI-ZIAGYGMSSA-N 2 0 340.471 3.169 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000572921077 459594101 /nfs/dbraw/zinc/59/41/01/459594101.db2.gz ZCOJDTVYJLDCHP-KEGWNNHHSA-N 2 0 338.442 3.411 20 0 EGADRP COC(=O)C(C)(C)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000527219111 459609241 /nfs/dbraw/zinc/60/92/41/459609241.db2.gz CJKVYLZVZLUIJV-SFHVURJKSA-N 2 0 332.488 3.030 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527231452 459612366 /nfs/dbraw/zinc/61/23/66/459612366.db2.gz ISDFEAWCOOPEBR-ZWKOTPCHSA-N 2 0 338.442 3.482 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000583929795 459620286 /nfs/dbraw/zinc/62/02/86/459620286.db2.gz DDIAKRCNQMHNKO-UXHICEINSA-N 2 0 348.531 3.001 20 0 EGADRP c1c(C[NH2+]C[C@H]2CCC[NH2+]C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000584100700 459653815 /nfs/dbraw/zinc/65/38/15/459653815.db2.gz NSEVIUBDYIDRQJ-KRWDZBQOSA-N 2 0 347.466 3.024 20 0 EGADRP FC(F)(F)c1cccc(OCCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000584232577 459686948 /nfs/dbraw/zinc/68/69/48/459686948.db2.gz ZOXOVSLFHMVROZ-CABCVRRESA-N 2 0 342.405 3.406 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000573698611 459721342 /nfs/dbraw/zinc/72/13/42/459721342.db2.gz CPOOXSDPCXRZOA-INIZCTEOSA-N 2 0 326.488 3.250 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000573831217 459743143 /nfs/dbraw/zinc/74/31/43/459743143.db2.gz YBCTXSBKYQUCRW-YHUYYLMFSA-N 2 0 349.906 3.343 20 0 EGADRP Cc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1Cl ZINC000544595387 459770996 /nfs/dbraw/zinc/77/09/96/459770996.db2.gz VWQGTTMVEHCCMM-UHFFFAOYSA-N 2 0 349.950 3.498 20 0 EGADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CCN[C@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069983 459775631 /nfs/dbraw/zinc/77/56/31/459775631.db2.gz QPLGITQHKIITJW-WDSOQIARSA-N 2 0 343.515 3.093 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CCN1C ZINC000527939398 459777685 /nfs/dbraw/zinc/77/76/85/459777685.db2.gz NTUZEFOQOLMIEK-QAPCUYQASA-N 2 0 346.519 3.464 20 0 EGADRP C[C@H]1C[C@@H]([N@H+](C)CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000574168821 459787802 /nfs/dbraw/zinc/78/78/02/459787802.db2.gz JQSPARONYCKYIM-ICSRJNTNSA-N 3 0 340.515 3.338 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)ccn2)cc1 ZINC000566089402 459803277 /nfs/dbraw/zinc/80/32/77/459803277.db2.gz PFCMXJWXYFZSEM-BEFAXECRSA-N 2 0 341.455 3.360 20 0 EGADRP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000545160230 459804901 /nfs/dbraw/zinc/80/49/01/459804901.db2.gz PRVCJDZDIPTGIY-SCLBCKFNSA-N 2 0 334.460 3.271 20 0 EGADRP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000574399407 459814265 /nfs/dbraw/zinc/81/42/65/459814265.db2.gz DGZYMODSYRYEKK-NVXWUHKLSA-N 2 0 340.471 3.428 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566213109 459823243 /nfs/dbraw/zinc/82/32/43/459823243.db2.gz YGVVHLMZZWMBQZ-MJGOQNOKSA-N 2 0 331.504 3.166 20 0 EGADRP FC(F)(F)COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000574518454 459828787 /nfs/dbraw/zinc/82/87/87/459828787.db2.gz ITYHXLAXRKPNCX-INIZCTEOSA-N 2 0 342.405 3.449 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000621642547 459993890 /nfs/dbraw/zinc/99/38/90/459993890.db2.gz QBTFGYRUPXTJLA-WBVHZDCISA-N 2 0 337.533 3.027 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000621659405 459998745 /nfs/dbraw/zinc/99/87/45/459998745.db2.gz JBZQXFTXXOSKPR-SFHVURJKSA-N 2 0 329.488 3.043 20 0 EGADRP COC(=O)C1(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000589173106 460045885 /nfs/dbraw/zinc/04/58/85/460045885.db2.gz DEDOXROTTLXSSW-MJGOQNOKSA-N 2 0 344.499 3.220 20 0 EGADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000618665359 460118207 /nfs/dbraw/zinc/11/82/07/460118207.db2.gz ZVRIWWSEBWKPLB-MSOLQXFVSA-N 2 0 347.547 3.164 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000598988697 460118952 /nfs/dbraw/zinc/11/89/52/460118952.db2.gz QQROEKKYDHVCTI-QGZVFWFLSA-N 2 0 347.503 3.020 20 0 EGADRP CC[NH+](CC)CCCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505076 460155140 /nfs/dbraw/zinc/15/51/40/460155140.db2.gz GEYYPVRUALUIKV-RTWAWAEBSA-N 2 0 329.532 3.172 20 0 EGADRP C[C@@H]1C[C@@H]1C[N@H+](CCCC[NH+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000625932515 460308146 /nfs/dbraw/zinc/30/81/46/460308146.db2.gz AMUWRAAKTLKYNQ-WTGUMLROSA-N 2 0 338.536 3.014 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000611276215 460327334 /nfs/dbraw/zinc/32/73/34/460327334.db2.gz FHWSRAVDKPWTOW-HXUWFJFHSA-N 2 0 327.516 3.164 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ncccc32)[C@@H](C)C1 ZINC000631580155 460455687 /nfs/dbraw/zinc/45/56/87/460455687.db2.gz DIGBCTWWXLPSRD-QRFRQXIXSA-N 2 0 331.504 3.186 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000631603670 460468393 /nfs/dbraw/zinc/46/83/93/460468393.db2.gz ZJUORHSCIJJGAL-PWRODBHTSA-N 2 0 344.499 3.040 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C(C)(C)C ZINC000604786392 460480474 /nfs/dbraw/zinc/48/04/74/460480474.db2.gz HBEZPPSKRIYNDC-HZPDHXFCSA-N 2 0 342.572 3.018 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664498 460497651 /nfs/dbraw/zinc/49/76/51/460497651.db2.gz NZDGXNAXYWQTNC-NSHGMRRFSA-N 2 0 326.488 3.019 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000631665014 460499478 /nfs/dbraw/zinc/49/94/78/460499478.db2.gz UOFUUBXVVYDSSU-GHTZIAJQSA-N 2 0 341.543 3.219 20 0 EGADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629531951 460798243 /nfs/dbraw/zinc/79/82/43/460798243.db2.gz FRZKBACFQHMKBI-ZIAGYGMSSA-N 2 0 327.394 3.312 20 0 EGADRP Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000629533183 460799973 /nfs/dbraw/zinc/79/99/73/460799973.db2.gz MFEQSRNQOURIIF-HUUCEWRRSA-N 2 0 329.419 3.302 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000629540692 460800788 /nfs/dbraw/zinc/80/07/88/460800788.db2.gz WTIBIZZSRDCKKW-ICSRJNTNSA-N 2 0 331.504 3.232 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000629551603 460804625 /nfs/dbraw/zinc/80/46/25/460804625.db2.gz WGVKCQHEMPGMGC-BEVDRBHNSA-N 2 0 326.484 3.459 20 0 EGADRP c1c(C[NH2+]C2CCC(C3CCCCC3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629550053 460804699 /nfs/dbraw/zinc/80/46/99/460804699.db2.gz MBRUQGNGMVSPND-FAFZWHIHSA-N 2 0 331.508 3.041 20 0 EGADRP CCn1c2ccccc2c2cc(C[N@H+](C)CCOCC[NH3+])ccc21 ZINC000629665959 460856304 /nfs/dbraw/zinc/85/63/04/460856304.db2.gz ZAECHBVXIRCDHN-UHFFFAOYSA-N 2 0 325.456 3.222 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)c2ccccc21 ZINC000624188021 460902320 /nfs/dbraw/zinc/90/23/20/460902320.db2.gz UGJJFBIXNBSPFT-PKOBYXMFSA-N 2 0 327.472 3.091 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)[C@H](C)C1 ZINC000607957040 460947620 /nfs/dbraw/zinc/94/76/20/460947620.db2.gz TWAUDHQIYGASHZ-UTKZUKDTSA-N 2 0 339.483 3.481 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000602022948 460993148 /nfs/dbraw/zinc/99/31/48/460993148.db2.gz UPRNPESLTQFUPZ-RGCFKVTRSA-N 2 0 330.472 3.275 20 0 EGADRP Cc1ccc([C@H](C)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000628186542 461037433 /nfs/dbraw/zinc/03/74/33/461037433.db2.gz NRAIXJWNNLKEKQ-SBHAEUEKSA-N 2 0 329.532 3.056 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000628228373 461053993 /nfs/dbraw/zinc/05/39/93/461053993.db2.gz MIGZVQPONXYKJJ-JRGCBEDISA-N 2 0 330.516 3.456 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659018014 461140623 /nfs/dbraw/zinc/14/06/23/461140623.db2.gz BUFYFKMZVSYMBO-INIZCTEOSA-N 2 0 332.492 3.038 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)on2)C1 ZINC000652363949 461157868 /nfs/dbraw/zinc/15/78/68/461157868.db2.gz SQIOCXLWYIZIHH-YVWKXTFCSA-N 2 0 341.455 3.202 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662280049 461163302 /nfs/dbraw/zinc/16/33/02/461163302.db2.gz BWWLHQYMCDVRMW-APWZRJJASA-N 2 0 345.512 3.057 20 0 EGADRP CC(C)c1nc([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)no1 ZINC000662277583 461163609 /nfs/dbraw/zinc/16/36/09/461163609.db2.gz RQRFIPYJUROMAP-KRWDZBQOSA-N 2 0 340.471 3.218 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291890 461171147 /nfs/dbraw/zinc/17/11/47/461171147.db2.gz YWDOEGIESKZLAF-LJQANCHMSA-N 2 0 344.499 3.500 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1C ZINC000662295033 461173208 /nfs/dbraw/zinc/17/32/08/461173208.db2.gz YITNELBQFWPCCJ-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP Clc1ccc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000662299240 461178037 /nfs/dbraw/zinc/17/80/37/461178037.db2.gz MREFLUZJRLOKCA-CYBMUJFWSA-N 2 0 328.287 3.115 20 0 EGADRP CN(CCc1ccccc1)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662307511 461180526 /nfs/dbraw/zinc/18/05/26/461180526.db2.gz WSGUGHBLJBWECR-OAQYLSRUSA-N 2 0 329.532 3.015 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638090460 461235110 /nfs/dbraw/zinc/23/51/10/461235110.db2.gz XEZBJZGMMPJODR-KRWDZBQOSA-N 2 0 349.544 3.246 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(C)(C)Oc1ccccc1 ZINC000638181034 461293613 /nfs/dbraw/zinc/29/36/13/461293613.db2.gz LOFMUYGHRKPQKR-NZSAHSFTSA-N 2 0 332.488 3.028 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638280405 461345440 /nfs/dbraw/zinc/34/54/40/461345440.db2.gz FJOPRXALYYLQKT-HMXCVIKNSA-N 2 0 327.516 3.428 20 0 EGADRP CCn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000641761219 461356475 /nfs/dbraw/zinc/35/64/75/461356475.db2.gz PZMFRVPVYFFCPM-QGZVFWFLSA-N 2 0 326.488 3.392 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662745036 461364612 /nfs/dbraw/zinc/36/46/12/461364612.db2.gz CWRZVPKTSAQTSU-UHFFFAOYSA-N 2 0 329.469 3.016 20 0 EGADRP c1ccc([C@@H]2C[C@H](NC[C@@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638360636 461387066 /nfs/dbraw/zinc/38/70/66/461387066.db2.gz XQMQOVCSRINWDI-KPLVRAHFSA-N 2 0 339.527 3.428 20 0 EGADRP CC(C)Oc1cccc([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638369874 461392486 /nfs/dbraw/zinc/39/24/86/461392486.db2.gz VMKQUMWNGXQSTH-INIZCTEOSA-N 2 0 334.504 3.360 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](OC)C2CCOCC2)c1 ZINC000638380627 461397713 /nfs/dbraw/zinc/39/77/13/461397713.db2.gz CVSTYEQCMBKLHY-FQEVSTJZSA-N 2 0 334.504 3.060 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666088744 461450417 /nfs/dbraw/zinc/45/04/17/461450417.db2.gz QAIVXZIGSVCBQO-IRXDYDNUSA-N 2 0 336.907 3.024 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848625 461495492 /nfs/dbraw/zinc/49/54/92/461495492.db2.gz JDMOQZGGINDXDJ-DZFGPLHGSA-N 2 0 345.531 3.295 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655850302 461498765 /nfs/dbraw/zinc/49/87/65/461498765.db2.gz UIDNJOOBWNJXSO-YADHBBJMSA-N 2 0 341.543 3.300 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000653108174 461505047 /nfs/dbraw/zinc/50/50/47/461505047.db2.gz LSWHXTCYXSTJKA-AEFFLSMTSA-N 2 0 329.488 3.247 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000659946045 461507976 /nfs/dbraw/zinc/50/79/76/461507976.db2.gz ZBDJUAJQEAFTLO-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP COc1cc(C[C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000638721483 461547647 /nfs/dbraw/zinc/54/76/47/461547647.db2.gz OSHNJUCUABSXPE-INIZCTEOSA-N 2 0 331.504 3.408 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C[N@@H+]1Cc1ccccc1 ZINC000631099167 461548899 /nfs/dbraw/zinc/54/88/99/461548899.db2.gz GEKFRAYEWAZBRB-SJLPKXTDSA-N 2 0 325.456 3.178 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@@H]3CN(Cc4ccccc4)C[C@@H]3C)cn21 ZINC000647262622 461597076 /nfs/dbraw/zinc/59/70/76/461597076.db2.gz HHDQONSUKPBPRK-LAUBAEHRSA-N 2 0 348.494 3.295 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647282699 461609841 /nfs/dbraw/zinc/60/98/41/461609841.db2.gz NFYANKZOMHAMCX-NQIIRXRSSA-N 2 0 347.547 3.398 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C2CCC(F)(F)CC2)c2ccccc2)CC1 ZINC000647287605 461613521 /nfs/dbraw/zinc/61/35/21/461613521.db2.gz NEHZIOOWRLCFOK-SFHVURJKSA-N 2 0 337.458 3.143 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000647288284 461615317 /nfs/dbraw/zinc/61/53/17/461615317.db2.gz ZEXNIQVWMJPNQT-NRFANRHFSA-N 2 0 347.547 3.400 20 0 EGADRP COc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(Cl)cc1O ZINC000638851210 461617480 /nfs/dbraw/zinc/61/74/80/461617480.db2.gz YACHJHZYBWFZTN-UHFFFAOYSA-N 2 0 334.847 3.406 20 0 EGADRP CCn1nc(C)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000631196202 461636195 /nfs/dbraw/zinc/63/61/95/461636195.db2.gz OSIZBAFOJSAERU-JXFKEZNVSA-N 2 0 340.515 3.378 20 0 EGADRP CCn1nc(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000631196203 461637488 /nfs/dbraw/zinc/63/74/88/461637488.db2.gz OSIZBAFOJSAERU-OXJNMPFZSA-N 2 0 340.515 3.378 20 0 EGADRP CC(C)C[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000653347281 461642573 /nfs/dbraw/zinc/64/25/73/461642573.db2.gz ZHDYEDFWABENEZ-BTHPGYMESA-N 2 0 345.531 3.386 20 0 EGADRP c1nc([C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)n[nH]1 ZINC000663466723 461655549 /nfs/dbraw/zinc/65/55/49/461655549.db2.gz XHGJHOWFXMPHAY-SJLPKXTDSA-N 2 0 331.508 3.138 20 0 EGADRP CCn1nccc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000663471112 461658962 /nfs/dbraw/zinc/65/89/62/461658962.db2.gz RPBPLLLXIYMSOB-UHFFFAOYSA-N 2 0 326.488 3.436 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000639085757 461717692 /nfs/dbraw/zinc/71/76/92/461717692.db2.gz IPAKIGCMPUJFEL-AZUAARDMSA-N 2 0 330.516 3.223 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000643457223 461732775 /nfs/dbraw/zinc/73/27/75/461732775.db2.gz HAQHCJQJWNMNIN-OXQOHEQNSA-N 2 0 335.455 3.137 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000643480244 461742209 /nfs/dbraw/zinc/74/22/09/461742209.db2.gz KMXHTYNCVIKFHP-TUFLPTIASA-N 3 0 327.516 3.019 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000639128769 461746610 /nfs/dbraw/zinc/74/66/10/461746610.db2.gz ZVUMDINVLMGYDD-APWZRJJASA-N 2 0 334.479 3.287 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643522525 461751651 /nfs/dbraw/zinc/75/16/51/461751651.db2.gz OKSUJQOZUSCFMQ-QUCCMNQESA-N 2 0 325.456 3.106 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000643522758 461753210 /nfs/dbraw/zinc/75/32/10/461753210.db2.gz CQCDEMDHSRSNAM-CGXNFDGLSA-N 2 0 327.516 3.161 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2cccnc2)c(F)c1 ZINC000643534918 461754730 /nfs/dbraw/zinc/75/47/30/461754730.db2.gz FQFDKTCBJPVLPX-ZWKOTPCHSA-N 2 0 329.394 3.181 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1-c1ccccc1 ZINC000647543174 461756170 /nfs/dbraw/zinc/75/61/70/461756170.db2.gz IPSGUDOMTBFIJK-OALUTQOASA-N 2 0 338.499 3.392 20 0 EGADRP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643535442 461756221 /nfs/dbraw/zinc/75/62/21/461756221.db2.gz DPEPAOGNTFAJGF-CZUORRHYSA-N 2 0 335.289 3.038 20 0 EGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OCC(F)(F)F)cc1 ZINC000643535899 461757154 /nfs/dbraw/zinc/75/71/54/461757154.db2.gz PTJWANRSPJMMLG-WFASDCNBSA-N 2 0 328.378 3.420 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542884 461757583 /nfs/dbraw/zinc/75/75/83/461757583.db2.gz DIOASHUGCVOZSC-JKSUJKDBSA-N 2 0 336.549 3.201 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000647544085 461759454 /nfs/dbraw/zinc/75/94/54/461759454.db2.gz WOASNDDQJNADEN-MOPGFXCFSA-N 2 0 338.499 3.299 20 0 EGADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549929 461762856 /nfs/dbraw/zinc/76/28/56/461762856.db2.gz XZDKFZYQYCTWPZ-SOUVJXGZSA-N 2 0 328.378 3.105 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Cl)cc1O ZINC000639177047 461783656 /nfs/dbraw/zinc/78/36/56/461783656.db2.gz OSJPGHVMVYWWCV-CQSZACIVSA-N 2 0 338.879 3.218 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666743548 461785788 /nfs/dbraw/zinc/78/57/88/461785788.db2.gz BRLXSYGAXDKGBH-CRAIPNDOSA-N 2 0 332.879 3.192 20 0 EGADRP Cc1ccccc1-c1noc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000643895256 461832940 /nfs/dbraw/zinc/83/29/40/461832940.db2.gz MMFLXRQLXFQAJV-OAHLLOKOSA-N 2 0 326.444 3.009 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1)C1CCCC1 ZINC000647785556 461833369 /nfs/dbraw/zinc/83/33/69/461833369.db2.gz AYALWITYBMDBMX-CEXWTWQISA-N 2 0 341.499 3.293 20 0 EGADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000647786561 461834767 /nfs/dbraw/zinc/83/47/67/461834767.db2.gz ROKXACKEIGMOTM-RCCFBDPRSA-N 2 0 328.500 3.485 20 0 EGADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)nc1 ZINC000647789855 461835327 /nfs/dbraw/zinc/83/53/27/461835327.db2.gz MTTCAWRAAKYWKJ-CEXWTWQISA-N 2 0 337.467 3.138 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000647788560 461835472 /nfs/dbraw/zinc/83/54/72/461835472.db2.gz MCVVMDJGVORTGF-BQJUDKOJSA-N 2 0 327.516 3.110 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000647788563 461835747 /nfs/dbraw/zinc/83/57/47/461835747.db2.gz MCVVMDJGVORTGF-NCYKPQTJSA-N 2 0 327.516 3.110 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000647788942 461835954 /nfs/dbraw/zinc/83/59/54/461835954.db2.gz VRVNRHALMZMYAS-CKNFYHOISA-N 2 0 327.472 3.074 20 0 EGADRP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647795791 461838276 /nfs/dbraw/zinc/83/82/76/461838276.db2.gz WEMYCBNHEAEURH-BRWVUGGUSA-N 2 0 341.430 3.491 20 0 EGADRP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798719 461841753 /nfs/dbraw/zinc/84/17/53/461841753.db2.gz WFJXOZVSVSCUOS-CGTJXYLNSA-N 2 0 331.504 3.374 20 0 EGADRP c1ccc(-c2noc(C3CC[NH+](CCC4CC[NH2+]CC4)CC3)n2)cc1 ZINC000647884456 461870703 /nfs/dbraw/zinc/87/07/03/461870703.db2.gz ROAZVUAKVALZGH-UHFFFAOYSA-N 2 0 340.471 3.306 20 0 EGADRP Clc1ccc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cn2c1 ZINC000656783890 461894565 /nfs/dbraw/zinc/89/45/65/461894565.db2.gz BADXLIGBYTZZRM-OAHLLOKOSA-N 2 0 332.879 3.199 20 0 EGADRP Cc1nc2ccc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cc2s1 ZINC000650707293 461898950 /nfs/dbraw/zinc/89/89/50/461898950.db2.gz CLDDCNQBUFUOPZ-LZLYRXPVSA-N 2 0 345.512 3.323 20 0 EGADRP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707157 461899646 /nfs/dbraw/zinc/89/96/46/461899646.db2.gz ZOTQMAWBSHQJTL-XCRHUMRWSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650707044 461899885 /nfs/dbraw/zinc/89/98/85/461899885.db2.gz XLEBBZADGQOPBR-DZKIICNBSA-N 2 0 337.533 3.159 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709262 461903429 /nfs/dbraw/zinc/90/34/29/461903429.db2.gz NNKIQDWKDFBWPE-LPHOPBHVSA-N 2 0 344.890 3.395 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998299 461905349 /nfs/dbraw/zinc/90/53/49/461905349.db2.gz MVCBYTYYYIXDJQ-HKUYNNGSSA-N 2 0 330.472 3.009 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660655263 461905608 /nfs/dbraw/zinc/90/56/08/461905608.db2.gz LLKGPVKDCLJEPV-WIYYLYMNSA-N 2 0 343.515 3.357 20 0 EGADRP C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000650718141 461909283 /nfs/dbraw/zinc/90/92/83/461909283.db2.gz ZMHVQFDVJNGWQS-UZLBHIALSA-N 2 0 341.474 3.427 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975693 461917487 /nfs/dbraw/zinc/91/74/87/461917487.db2.gz DSMCKQAFRHWECB-BZUAXINKSA-N 2 0 349.906 3.379 20 0 EGADRP Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647978213 461920864 /nfs/dbraw/zinc/92/08/64/461920864.db2.gz OJICJRRTHLISQG-GJZGRUSLSA-N 2 0 344.434 3.087 20 0 EGADRP C[NH+](C)C[C@H]1CCN(Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639489107 461950809 /nfs/dbraw/zinc/95/08/09/461950809.db2.gz NANUOQPUWDIZOT-OAHLLOKOSA-N 2 0 336.439 3.273 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCN(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000660760535 461957368 /nfs/dbraw/zinc/95/73/68/461957368.db2.gz RKUWNKNYFNCKDC-HOTGVXAUSA-N 2 0 349.485 3.313 20 0 EGADRP Cc1cc(NCC2CC[NH+](C3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000664150500 461960308 /nfs/dbraw/zinc/96/03/08/461960308.db2.gz FEXPVUAZGXTMEE-UHFFFAOYSA-N 2 0 339.483 3.268 20 0 EGADRP O[C@H](CCc1ccccc1)C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000644513837 461965349 /nfs/dbraw/zinc/96/53/49/461965349.db2.gz XEZAFCLTUVFETM-JOCHJYFZSA-N 2 0 338.495 3.366 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000644525652 461971049 /nfs/dbraw/zinc/97/10/49/461971049.db2.gz QXIAJZCYAJDTRY-UHFFFAOYSA-N 2 0 335.879 3.133 20 0 EGADRP CCc1nc2ccccc2n1C1CC[NH+](CCc2cnccn2)CC1 ZINC000639558881 461987820 /nfs/dbraw/zinc/98/78/20/461987820.db2.gz JFQIPUBFKGJZHX-UHFFFAOYSA-N 2 0 335.455 3.268 20 0 EGADRP [NH3+][C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(Cl)c1 ZINC000648164560 461994510 /nfs/dbraw/zinc/99/45/10/461994510.db2.gz OULVJTQBGLJWRW-GOSISDBHSA-N 2 0 349.906 3.111 20 0 EGADRP CC(C)([NH3+])CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648167680 461995745 /nfs/dbraw/zinc/99/57/45/461995745.db2.gz LOLYFKNCWIQZMO-RTBURBONSA-N 2 0 343.515 3.017 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657310723 462034605 /nfs/dbraw/zinc/03/46/05/462034605.db2.gz RSACVWKXSNAZOU-UHFFFAOYSA-N 2 0 338.499 3.351 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CCc4cnccn4)C3)CC2)cc1 ZINC000639655838 462042283 /nfs/dbraw/zinc/04/22/83/462042283.db2.gz OIVJPRSXCDJHAG-UHFFFAOYSA-N 2 0 336.483 3.007 20 0 EGADRP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+]CC2)cnc1N1CCCC[C@H]1C ZINC000667345703 462050042 /nfs/dbraw/zinc/05/00/42/462050042.db2.gz OJAQRRSEPRFMRR-HZPDHXFCSA-N 2 0 345.491 3.032 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C(C)(C)C ZINC000657363852 462073890 /nfs/dbraw/zinc/07/38/90/462073890.db2.gz PZAZWALXSGMZPS-RTBURBONSA-N 2 0 334.504 3.310 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000657433387 462119032 /nfs/dbraw/zinc/11/90/32/462119032.db2.gz SOOPTSPGIZWCKM-MSOLQXFVSA-N 2 0 334.504 3.454 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450598 462125066 /nfs/dbraw/zinc/12/50/66/462125066.db2.gz VNBYGSWIZCXQLO-AEFFLSMTSA-N 2 0 341.499 3.122 20 0 EGADRP c1ccc2c(c1)CC[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC000657535734 462170664 /nfs/dbraw/zinc/17/06/64/462170664.db2.gz BDZGKFCZMJAEBY-FQEVSTJZSA-N 2 0 328.500 3.025 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000645085868 462173447 /nfs/dbraw/zinc/17/34/47/462173447.db2.gz PRXSDUMLERYVPU-KRWDZBQOSA-N 2 0 330.520 3.139 20 0 EGADRP c1nc(C2CC2)sc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612713 462203569 /nfs/dbraw/zinc/20/35/69/462203569.db2.gz CYUIBIVJCHSSLF-UHFFFAOYSA-N 2 0 342.512 3.417 20 0 EGADRP Fc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000657611973 462204034 /nfs/dbraw/zinc/20/40/34/462204034.db2.gz GRXWKATZWUWXJB-UHFFFAOYSA-N 2 0 331.410 3.362 20 0 EGADRP c1ccc2c(c1)CC[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000657611970 462204565 /nfs/dbraw/zinc/20/45/65/462204565.db2.gz GPJNTTKCNWJADV-JOCHJYFZSA-N 2 0 335.495 3.441 20 0 EGADRP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657677979 462225442 /nfs/dbraw/zinc/22/54/42/462225442.db2.gz KPIMCQVQONLZFJ-INIZCTEOSA-N 2 0 347.469 3.400 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000667733419 462237254 /nfs/dbraw/zinc/23/72/54/462237254.db2.gz CTODXWXOIKERFA-KXBFYZLASA-N 2 0 340.471 3.267 20 0 EGADRP FC(F)(F)c1cccnc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812472 462279834 /nfs/dbraw/zinc/27/98/34/462279834.db2.gz DCLNHRFICPKQTG-UHFFFAOYSA-N 2 0 327.394 3.312 20 0 EGADRP CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000648798804 462283374 /nfs/dbraw/zinc/28/33/74/462283374.db2.gz INZNPKZDXUAOHR-OALUTQOASA-N 2 0 332.488 3.016 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc4c3CCC4)CC2)CC1 ZINC000651649701 462289305 /nfs/dbraw/zinc/28/93/05/462289305.db2.gz RINULKHGEZVBTJ-UHFFFAOYSA-N 2 0 341.543 3.166 20 0 EGADRP COC1([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000657938753 462323712 /nfs/dbraw/zinc/32/37/12/462323712.db2.gz QOGQEEADSHYXCU-GOSISDBHSA-N 2 0 346.515 3.251 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccc2c(c1)CCCC2 ZINC000657975779 462334937 /nfs/dbraw/zinc/33/49/37/462334937.db2.gz GAUVNXFEVDDCQM-RTBURBONSA-N 2 0 343.559 3.112 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000665293758 462388410 /nfs/dbraw/zinc/38/84/10/462388410.db2.gz CBGIGPJQJVLOED-UKRRQHHQSA-N 2 0 346.862 3.110 20 0 EGADRP COc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000665294540 462389255 /nfs/dbraw/zinc/38/92/55/462389255.db2.gz QQEDAADQOJUEHL-GHTZIAJQSA-N 2 0 338.451 3.349 20 0 EGADRP COC[C@H](CC(C)(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166893 462414402 /nfs/dbraw/zinc/41/44/02/462414402.db2.gz VYERBQIQNVIKMX-IBGZPJMESA-N 2 0 333.520 3.334 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000649268852 462462300 /nfs/dbraw/zinc/46/23/00/462462300.db2.gz BTPAAZUWVMXSFY-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649291039 462469115 /nfs/dbraw/zinc/46/91/15/462469115.db2.gz BTISREUQYOFBQH-CALCHBBNSA-N 2 0 345.531 3.298 20 0 EGADRP CC(C)C[C@@H](CNC(=O)CC1([NH3+])CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000645964372 462479897 /nfs/dbraw/zinc/47/98/97/462479897.db2.gz GSFVQIXSJAPOOG-WMZOPIPTSA-N 2 0 331.504 3.140 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355569 462489088 /nfs/dbraw/zinc/48/90/88/462489088.db2.gz CVPURGQBZKKBCE-HNNXBMFYSA-N 2 0 347.478 3.254 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)c1ccccc1 ZINC000132776275 533808498 /nfs/dbraw/zinc/80/84/98/533808498.db2.gz AHEZYHURXLBKKV-ROUUACIJSA-N 2 0 330.516 3.443 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)N1CC[NH+](C)CC1 ZINC000089701584 518182241 /nfs/dbraw/zinc/18/22/41/518182241.db2.gz NUNAGPHSNFQFPA-PXAZEXFGSA-N 2 0 342.314 3.206 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180925004 534397109 /nfs/dbraw/zinc/39/71/09/534397109.db2.gz OYXOHSQZDSPGFA-QGZVFWFLSA-N 2 0 344.455 3.398 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1 ZINC000187782994 528152253 /nfs/dbraw/zinc/15/22/53/528152253.db2.gz PETGMATXOYBLCQ-KRWDZBQOSA-N 2 0 342.487 3.356 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000131437319 528669593 /nfs/dbraw/zinc/66/95/93/528669593.db2.gz SCSKJTSWNSCFIY-HOJAQTOUSA-N 2 0 334.504 3.101 20 0 EGADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)oc21 ZINC000181703023 528699282 /nfs/dbraw/zinc/69/92/82/528699282.db2.gz YEIQHTKHNCGANH-CVEARBPZSA-N 2 0 345.487 3.118 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C)cc1 ZINC000159133688 529187064 /nfs/dbraw/zinc/18/70/64/529187064.db2.gz UUKHNYMROMCCCE-HXUWFJFHSA-N 2 0 338.499 3.383 20 0 EGADRP CC(C)[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000236599067 535162063 /nfs/dbraw/zinc/16/20/63/535162063.db2.gz ZYVOTMMOQMENEG-UHFFFAOYSA-N 2 0 329.532 3.156 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000264183475 535664934 /nfs/dbraw/zinc/66/49/34/535664934.db2.gz AAPJNCJXQYPFOJ-FQEVSTJZSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000246883546 535760676 /nfs/dbraw/zinc/76/06/76/535760676.db2.gz WPXWXMKJFHCPHG-AZUAARDMSA-N 2 0 343.515 3.014 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246949617 535767856 /nfs/dbraw/zinc/76/78/56/535767856.db2.gz IHHQHJVGZOOIEB-YOEHRIQHSA-N 2 0 337.895 3.379 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171158 546654435 /nfs/dbraw/zinc/65/44/35/546654435.db2.gz NXVLDNXUUXXUSU-WOJBJXKFSA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000090936631 546662062 /nfs/dbraw/zinc/66/20/62/546662062.db2.gz UXEZLBKBMJFINF-HOTGVXAUSA-N 2 0 334.504 3.202 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000093692032 546686967 /nfs/dbraw/zinc/68/69/67/546686967.db2.gz AENIMBCLWVQTQH-UHFFFAOYSA-N 2 0 345.512 3.011 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121916769 546729865 /nfs/dbraw/zinc/72/98/65/546729865.db2.gz GNOHYXWITNSWRI-HUUCEWRRSA-N 2 0 329.488 3.416 20 0 EGADRP CCOc1cc(CCC[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000133962707 546824158 /nfs/dbraw/zinc/82/41/58/546824158.db2.gz BFCHOUANLMBMIP-MRXNPFEDSA-N 2 0 334.504 3.346 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000155437266 546903149 /nfs/dbraw/zinc/90/31/49/546903149.db2.gz FTFAQTADSKCWOV-HRAATJIYSA-N 2 0 337.467 3.398 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000155699617 546905631 /nfs/dbraw/zinc/90/56/31/546905631.db2.gz LNVLRWBLZBWSNX-QGZVFWFLSA-N 2 0 329.532 3.143 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159113084 546934516 /nfs/dbraw/zinc/93/45/16/546934516.db2.gz BPWZBEJRKFGQAF-HUUCEWRRSA-N 2 0 344.503 3.351 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270733 546970455 /nfs/dbraw/zinc/97/04/55/546970455.db2.gz VWJMKVORCSLKTL-WFXMLNOXSA-N 2 0 329.532 3.359 20 0 EGADRP Cc1cncc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000184347440 547108310 /nfs/dbraw/zinc/10/83/10/547108310.db2.gz HABKLGAGASVULX-KRWDZBQOSA-N 2 0 339.483 3.198 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000339255689 547572542 /nfs/dbraw/zinc/57/25/42/547572542.db2.gz QQRMBBHGHCGBPO-IAGOWNOFSA-N 2 0 335.492 3.043 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000392071113 547831633 /nfs/dbraw/zinc/83/16/33/547831633.db2.gz HWKPIGKZEOLTGP-CQSZACIVSA-N 2 0 336.476 3.095 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OCc1cccnc1 ZINC000414935533 547861090 /nfs/dbraw/zinc/86/10/90/547861090.db2.gz YRGNPCWBCKHYMQ-ZWKOTPCHSA-N 2 0 341.455 3.029 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414927298 547861365 /nfs/dbraw/zinc/86/13/65/547861365.db2.gz OTWZUMWTDHPIFX-CABCVRRESA-N 2 0 334.414 3.127 20 0 EGADRP COc1ccc(OCc2nc(CN[C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414924034 547861578 /nfs/dbraw/zinc/86/15/78/547861578.db2.gz JIEUCTYBMJXWLL-KGLIPLIRSA-N 2 0 347.484 3.090 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1Cl ZINC000425951159 547886142 /nfs/dbraw/zinc/88/61/42/547886142.db2.gz MAWDYAMULMUVIL-JSGCOSHPSA-N 2 0 325.884 3.153 20 0 EGADRP CO[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441375346 547914623 /nfs/dbraw/zinc/91/46/23/547914623.db2.gz HXIRXQRACJRKKI-CADBVGFASA-N 2 0 326.525 3.155 20 0 EGADRP CCCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000676045815 549027248 /nfs/dbraw/zinc/02/72/48/549027248.db2.gz WOLGMGHIZHBYHJ-LEWJYISDSA-N 2 0 330.516 3.497 20 0 EGADRP Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)on1 ZINC000678183269 549420496 /nfs/dbraw/zinc/42/04/96/549420496.db2.gz SJVIXVPIHABSRJ-SFHVURJKSA-N 2 0 329.444 3.261 20 0 EGADRP CC(C)COc1cccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000678197419 549423311 /nfs/dbraw/zinc/42/33/11/549423311.db2.gz FACOBZWGYCKFCP-OAQYLSRUSA-N 2 0 346.515 3.454 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678281749 549457858 /nfs/dbraw/zinc/45/78/58/549457858.db2.gz BXIHMPFIFBVAKN-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000678599152 549528842 /nfs/dbraw/zinc/52/88/42/549528842.db2.gz VIXXSMVBJFWFSN-PWRODBHTSA-N 2 0 328.500 3.340 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000678773287 549558468 /nfs/dbraw/zinc/55/84/68/549558468.db2.gz WHCWQJVFJAWJJY-NMSZZDKCSA-N 2 0 328.500 3.277 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000678774037 549559202 /nfs/dbraw/zinc/55/92/02/549559202.db2.gz DJLQRHMKCMVUME-HNNXBMFYSA-N 2 0 328.460 3.304 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679143774 549643859 /nfs/dbraw/zinc/64/38/59/549643859.db2.gz ZTEWSSRLFXMCBL-QAPCUYQASA-N 2 0 333.545 3.438 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000679331485 549689529 /nfs/dbraw/zinc/68/95/29/549689529.db2.gz ISEDJOLOBJNUNL-IBGZPJMESA-N 2 0 349.588 3.419 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C\c3ccc(F)cc3)CC2)CC1 ZINC000680484278 549870822 /nfs/dbraw/zinc/87/08/22/549870822.db2.gz WKHAJLOKPHTMJR-ARJAWSKDSA-N 2 0 345.506 3.188 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681138731 549959751 /nfs/dbraw/zinc/95/97/51/549959751.db2.gz YUNVRNIDLIYWBR-GHTZIAJQSA-N 2 0 341.543 3.439 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CC2(O)CCCCCC2)cc1 ZINC000681754519 550033294 /nfs/dbraw/zinc/03/32/94/550033294.db2.gz VLVMWXOMSLPWSZ-UHFFFAOYSA-N 2 0 334.504 3.144 20 0 EGADRP C[C@@H]1C[NH+](C(C)(C)CNc2cc[nH+]c3c(O)cccc23)C[C@@H](C)O1 ZINC000682238221 550085668 /nfs/dbraw/zinc/08/56/68/550085668.db2.gz OZAOYDFOSHFANE-ZIAGYGMSSA-N 2 0 329.444 3.240 20 0 EGADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000682912779 550162438 /nfs/dbraw/zinc/16/24/38/550162438.db2.gz JZFYFVSXNBOJEY-MOPGFXCFSA-N 2 0 344.547 3.420 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683769874 550259629 /nfs/dbraw/zinc/25/96/29/550259629.db2.gz FOFWJMUASNQWNZ-LAUBAEHRSA-N 2 0 341.499 3.461 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000684955213 550387776 /nfs/dbraw/zinc/38/77/76/550387776.db2.gz JBLVCDFWIHTNLQ-FQEVSTJZSA-N 2 0 339.483 3.232 20 0 EGADRP CN(CCC[NH+]1CCCC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684966279 550389752 /nfs/dbraw/zinc/38/97/52/550389752.db2.gz BOJCOEOGWHMYPQ-UHFFFAOYSA-N 2 0 345.531 3.079 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000685453199 550417578 /nfs/dbraw/zinc/41/75/78/550417578.db2.gz SLQIWGKSJYQAPS-QGZVFWFLSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[C@]1(CO)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685477457 550422408 /nfs/dbraw/zinc/42/24/08/550422408.db2.gz HTACUZQXNKBVRI-NRFANRHFSA-N 2 0 346.515 3.146 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000727465443 574669497 /nfs/dbraw/zinc/66/94/97/574669497.db2.gz HJDQLTYOLLZJBW-SFHVURJKSA-N 2 0 347.503 3.237 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000729346601 574844800 /nfs/dbraw/zinc/84/48/00/574844800.db2.gz AYNCCYADZVMSBV-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000732136799 575239142 /nfs/dbraw/zinc/23/91/42/575239142.db2.gz WQXCYTAXDMJCTQ-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000678995991 576172382 /nfs/dbraw/zinc/17/23/82/576172382.db2.gz VTNYJXCJAQXTSE-ZDUSSCGKSA-N 2 0 343.849 3.369 20 0 EGADRP C=Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000683704741 576186338 /nfs/dbraw/zinc/18/63/38/576186338.db2.gz FEEDTAGCYKOLED-PCCBWWKXSA-N 2 0 336.483 3.374 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397914139 1297706193 /nfs/dbraw/zinc/70/61/93/1297706193.db2.gz CPTUYYPWRMSVBQ-CVEARBPZSA-N 2 0 339.524 3.141 20 0 EGADRP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000877969461 1299675684 /nfs/dbraw/zinc/67/56/84/1299675684.db2.gz BEBKFRNUIGRKNK-LJQANCHMSA-N 2 0 331.504 3.010 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000056524578 1291827396 /nfs/dbraw/zinc/82/73/96/1291827396.db2.gz KPZOWUFCUMBMFP-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000063551861 1292015474 /nfs/dbraw/zinc/01/54/74/1292015474.db2.gz OACPOOSIIODFLC-UHFFFAOYSA-N 2 0 340.467 3.403 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH+](CC)CC)CC1)c1ccccc1 ZINC000067306164 1292158344 /nfs/dbraw/zinc/15/83/44/1292158344.db2.gz HLQQHSOCYTZQEG-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP COc1cccc2cc(C[NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)oc21 ZINC000067452871 1292160712 /nfs/dbraw/zinc/16/07/12/1292160712.db2.gz XYVJDPFJAIPZER-HZPDHXFCSA-N 2 0 346.471 3.420 20 0 EGADRP C[C@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000827864316 1292389283 /nfs/dbraw/zinc/38/92/83/1292389283.db2.gz UVXZBWJWZHCAQB-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1csc2ccccc12)N1CC[NH+](C)CC1 ZINC000075762938 1292409012 /nfs/dbraw/zinc/40/90/12/1292409012.db2.gz HYONKDHGVFGGQN-GOSISDBHSA-N 2 0 331.529 3.263 20 0 EGADRP Cc1cccn2c(C[NH2+]CC3CC[NH+](CCC(C)C)CC3)cnc12 ZINC000080402283 1292600064 /nfs/dbraw/zinc/60/00/64/1292600064.db2.gz OAWNQEFXQUYAAH-UHFFFAOYSA-N 2 0 328.504 3.490 20 0 EGADRP C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000090117550 1292788654 /nfs/dbraw/zinc/78/86/54/1292788654.db2.gz BBYRSHXGWMFWDC-HNNXBMFYSA-N 2 0 341.430 3.489 20 0 EGADRP [NH3+]CC1(CC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCCCC1 ZINC000831088506 1292806530 /nfs/dbraw/zinc/80/65/30/1292806530.db2.gz BHGBSMUUFHINDQ-UHFFFAOYSA-N 2 0 335.536 3.199 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000105442191 1293037544 /nfs/dbraw/zinc/03/75/44/1293037544.db2.gz WLCNJTGGJPSPJI-OAHLLOKOSA-N 2 0 343.437 3.069 20 0 EGADRP Cc1ccsc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000105495680 1293040729 /nfs/dbraw/zinc/04/07/29/1293040729.db2.gz QOSZVZOJQHBLBM-UHFFFAOYSA-N 2 0 330.497 3.303 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107279990 1293063593 /nfs/dbraw/zinc/06/35/93/1293063593.db2.gz VUSYYVNQTZURIO-IBGZPJMESA-N 2 0 347.503 3.220 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000109068524 1293087409 /nfs/dbraw/zinc/08/74/09/1293087409.db2.gz CPQRRLMKLODRIJ-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CCn1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)cn1 ZINC000112098738 1293117150 /nfs/dbraw/zinc/11/71/50/1293117150.db2.gz QFWKNWWWLLGNDQ-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP O=C(Nc1ccccc1Nc1cc[nH+]cc1)C1CC[NH+](C2CC2)CC1 ZINC000834795802 1293150669 /nfs/dbraw/zinc/15/06/69/1293150669.db2.gz RUKBDVWNGGQCEW-UHFFFAOYSA-N 2 0 336.439 3.060 20 0 EGADRP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000120340601 1293316345 /nfs/dbraw/zinc/31/63/45/1293316345.db2.gz JYYALEWMALVCTB-GVDBMIGSSA-N 2 0 341.540 3.390 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1-c1ccccc1 ZINC000123025290 1293432194 /nfs/dbraw/zinc/43/21/94/1293432194.db2.gz UNHWGMIBQVLTDB-UHFFFAOYSA-N 2 0 337.511 3.423 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000125446580 1293508313 /nfs/dbraw/zinc/50/83/13/1293508313.db2.gz VGABWMYUCDEAKJ-ICSRJNTNSA-N 2 0 332.488 3.066 20 0 EGADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1COC2(CCCCC2)O1 ZINC000126211028 1293527727 /nfs/dbraw/zinc/52/77/27/1293527727.db2.gz ZDBRUJZLSQWCGJ-LJQANCHMSA-N 2 0 336.520 3.449 20 0 EGADRP CCCn1nc(C)c(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1C ZINC000133072889 1293736078 /nfs/dbraw/zinc/73/60/78/1293736078.db2.gz GFTLDHFITORKQZ-UHFFFAOYSA-N 2 0 344.503 3.140 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cncs3)CC2)cc1 ZINC000135982584 1293806752 /nfs/dbraw/zinc/80/67/52/1293806752.db2.gz WYCGCBYBCAXMHV-UHFFFAOYSA-N 2 0 331.485 3.154 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000153087355 1293998851 /nfs/dbraw/zinc/99/88/51/1293998851.db2.gz UWJHFIUCLYDSLM-FQEVSTJZSA-N 2 0 345.531 3.121 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc4cnccn34)cc2)CC1 ZINC000156578538 1294150226 /nfs/dbraw/zinc/15/02/26/1294150226.db2.gz NHJSFMADAXWMNV-UHFFFAOYSA-N 2 0 349.482 3.251 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC000161246445 1294287497 /nfs/dbraw/zinc/28/74/97/1294287497.db2.gz PLWWKSYMVDDBJB-KRWDZBQOSA-N 2 0 341.540 3.390 20 0 EGADRP C([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000161426877 1294292055 /nfs/dbraw/zinc/29/20/55/1294292055.db2.gz MZNCFZPVOIZNAB-IBGZPJMESA-N 2 0 336.520 3.306 20 0 EGADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000870853620 1296114238 /nfs/dbraw/zinc/11/42/38/1296114238.db2.gz XGAPNTOPBFXQMP-IIDMSEBBSA-N 2 0 349.906 3.111 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870867536 1296121464 /nfs/dbraw/zinc/12/14/64/1296121464.db2.gz QLMPBCOGPMCOBW-HLIPFELVSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000222890128 1296130977 /nfs/dbraw/zinc/13/09/77/1296130977.db2.gz AGEZIXSYBDJRME-CVEARBPZSA-N 2 0 327.513 3.144 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CCCC1)c1ccccc1 ZINC000870886052 1296130374 /nfs/dbraw/zinc/13/03/74/1296130374.db2.gz ZARJQTTXOOJXIX-BHIYHBOVSA-N 2 0 343.515 3.284 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000222952732 1296131700 /nfs/dbraw/zinc/13/17/00/1296131700.db2.gz TUNPFEGACJEFBO-UHTWSYAYSA-N 2 0 327.266 3.378 20 0 EGADRP CCC(CC)(C[NH2+]CC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000227734184 1296147287 /nfs/dbraw/zinc/14/72/87/1296147287.db2.gz LCFHJYMTKMVECS-UHFFFAOYSA-N 2 0 327.513 3.001 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000236862218 1296208089 /nfs/dbraw/zinc/20/80/89/1296208089.db2.gz RSFMDZWYIGLXIA-AWEZNQCLSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000237448381 1296243709 /nfs/dbraw/zinc/24/37/09/1296243709.db2.gz IDDFJTQJKNLCCT-SJORKVTESA-N 2 0 341.540 3.486 20 0 EGADRP Cc1ncccc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237636109 1296254415 /nfs/dbraw/zinc/25/44/15/1296254415.db2.gz BITIGGZSVDSWQQ-IRXDYDNUSA-N 2 0 339.483 3.289 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261850553 1296604896 /nfs/dbraw/zinc/60/48/96/1296604896.db2.gz ZXGCJXZDXVKBEE-QGZVFWFLSA-N 2 0 335.879 3.051 20 0 EGADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OCC(C)C ZINC000262066090 1296616283 /nfs/dbraw/zinc/61/62/83/1296616283.db2.gz RRJKHCLLLUCEIK-UHFFFAOYSA-N 2 0 332.488 3.306 20 0 EGADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2nc(-c3ccco3)no2)C1)C1CCCC1 ZINC000872156901 1296774835 /nfs/dbraw/zinc/77/48/35/1296774835.db2.gz MGWVDCMGGKVEDM-HOCLYGCPSA-N 2 0 344.459 3.449 20 0 EGADRP C[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)C1CC[NH+](C)CC1 ZINC000301641638 1296791724 /nfs/dbraw/zinc/79/17/24/1296791724.db2.gz COKUFACZAJYQNB-HNNXBMFYSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000301962843 1296795632 /nfs/dbraw/zinc/79/56/32/1296795632.db2.gz PJCSGZDOROVGJZ-IKGGRYGDSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000305164242 1296989956 /nfs/dbraw/zinc/98/99/56/1296989956.db2.gz SBDYALWIUHSUMW-RTWAWAEBSA-N 2 0 346.515 3.331 20 0 EGADRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000305344549 1297009374 /nfs/dbraw/zinc/00/93/74/1297009374.db2.gz XPHHNACDZGXEKH-IRXDYDNUSA-N 2 0 341.540 3.484 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000305724902 1297033474 /nfs/dbraw/zinc/03/34/74/1297033474.db2.gz LDPJTXHLRITPME-GOSISDBHSA-N 2 0 326.431 3.052 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000311238650 1297106589 /nfs/dbraw/zinc/10/65/89/1297106589.db2.gz VISBVLOFRWKYPE-PLACYPQZSA-N 2 0 346.515 3.071 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC000322143117 1297188257 /nfs/dbraw/zinc/18/82/57/1297188257.db2.gz ROHFCQFVKSNTQP-WKILWMFISA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[C@H](n2cncn2)C1 ZINC000340186425 1297310591 /nfs/dbraw/zinc/31/05/91/1297310591.db2.gz QYRAOQKIHLTFJF-YDZRNGNQSA-N 2 0 333.524 3.252 20 0 EGADRP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000873232650 1297375313 /nfs/dbraw/zinc/37/53/13/1297375313.db2.gz UTCRAKYQYFPWIL-GRDNDAEWSA-N 2 0 337.533 3.316 20 0 EGADRP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC000873243211 1297383606 /nfs/dbraw/zinc/38/36/06/1297383606.db2.gz JQWXNOHEEUAFJP-IRXDYDNUSA-N 2 0 327.476 3.030 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000873242315 1297383634 /nfs/dbraw/zinc/38/36/34/1297383634.db2.gz PBJCMSWQBNNZIC-GHTZIAJQSA-N 3 0 329.532 3.266 20 0 EGADRP c1ccc(CN2CCCC[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000873266836 1297398450 /nfs/dbraw/zinc/39/84/50/1297398450.db2.gz RFBMAAWGIZQDSN-BQJUDKOJSA-N 2 0 327.516 3.019 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(OC(F)F)c1 ZINC000873288756 1297410875 /nfs/dbraw/zinc/41/08/75/1297410875.db2.gz BNKQWQRPSGGOCR-CJNGLKHVSA-N 2 0 340.414 3.097 20 0 EGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290944 1297412588 /nfs/dbraw/zinc/41/25/88/1297412588.db2.gz CKWLFWDBKWLKTA-WMLDXEAASA-N 2 0 338.442 3.034 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291856 1297414389 /nfs/dbraw/zinc/41/43/89/1297414389.db2.gz YOMDCDSUYMFLIZ-HIFRSBDPSA-N 2 0 338.879 3.158 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291768 1297414664 /nfs/dbraw/zinc/41/46/64/1297414664.db2.gz XIEOUTPYGCNVSR-VQIMIIECSA-N 2 0 332.488 3.285 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000378879743 1297523594 /nfs/dbraw/zinc/52/35/94/1297523594.db2.gz FCFLNCQBXIJEDE-UHFFFAOYSA-N 2 0 338.517 3.247 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000381829161 1297555408 /nfs/dbraw/zinc/55/54/08/1297555408.db2.gz XFQUNUDVJACVHL-ZMSDIMECSA-N 2 0 339.524 3.094 20 0 EGADRP c1c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nc2ccccn12 ZINC000397617264 1297701232 /nfs/dbraw/zinc/70/12/32/1297701232.db2.gz URPVXLIJOYBDSD-UHFFFAOYSA-N 2 0 334.467 3.336 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692153867 1298140806 /nfs/dbraw/zinc/14/08/06/1298140806.db2.gz YPFGYTJLWRBXLQ-HNNXBMFYSA-N 2 0 341.540 3.342 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC000700506791 1298176271 /nfs/dbraw/zinc/17/62/71/1298176271.db2.gz ARBZYIHPRGNLBT-WBMJQRKESA-N 2 0 325.294 3.236 20 0 EGADRP CC(C)[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000707529339 1298230848 /nfs/dbraw/zinc/23/08/48/1298230848.db2.gz TVPGYOFJVXAXJH-LJQANCHMSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000715561082 1298281807 /nfs/dbraw/zinc/28/18/07/1298281807.db2.gz GZZHRJQCUYICOM-VXLLPVPCSA-N 2 0 339.524 3.237 20 0 EGADRP CCOC(=O)N1CCC(C)(C[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000876561320 1298828099 /nfs/dbraw/zinc/82/80/99/1298828099.db2.gz QXRNEOUVQODSKS-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP CSC(C)(C)CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000876791003 1298988748 /nfs/dbraw/zinc/98/87/48/1298988748.db2.gz BTTSCVYJWBXKQX-UHFFFAOYSA-N 2 0 327.582 3.009 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000876810775 1299004155 /nfs/dbraw/zinc/00/41/55/1299004155.db2.gz DLTPFSIZWGFSOA-SFHLNBCPSA-N 2 0 346.515 3.467 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877020303 1299116738 /nfs/dbraw/zinc/11/67/38/1299116738.db2.gz ONROYAWRLFCZCC-INIZCTEOSA-N 2 0 341.540 3.247 20 0 EGADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1ccccc1 ZINC000877832708 1299600882 /nfs/dbraw/zinc/60/08/82/1299600882.db2.gz PTNRHRUBOOQGEK-VQTJNVASSA-N 2 0 325.456 3.152 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(n2ccnc2)CC1 ZINC000878173280 1299795615 /nfs/dbraw/zinc/79/56/15/1299795615.db2.gz UWQKEVRFHLVTAK-SFHVURJKSA-N 2 0 326.444 3.246 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000755919391 1300416498 /nfs/dbraw/zinc/41/64/98/1300416498.db2.gz HXIKYOJVIKNCOW-MRXNPFEDSA-N 2 0 325.456 3.412 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)cc3c1OCOC3)CC2 ZINC000879246456 1300451589 /nfs/dbraw/zinc/45/15/89/1300451589.db2.gz DIVCZCVBWULZKE-UHFFFAOYSA-N 2 0 334.435 3.000 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)Nc1cccc(Cl)c1)CC2 ZINC000879247458 1300451905 /nfs/dbraw/zinc/45/19/05/1300451905.db2.gz AVUFPDXQSSESOS-UHFFFAOYSA-N 2 0 335.879 3.086 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(-c3ccsc3)no1)CC2 ZINC000879246755 1300451947 /nfs/dbraw/zinc/45/19/47/1300451947.db2.gz IIWXIKALUZUDIB-UHFFFAOYSA-N 2 0 332.473 3.106 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1noc3c1CC(C)(C)CC3)CC2 ZINC000879250819 1300454554 /nfs/dbraw/zinc/45/45/54/1300454554.db2.gz JEDFOFFXYUPEIG-UHFFFAOYSA-N 2 0 331.504 3.497 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550714 1300592297 /nfs/dbraw/zinc/59/22/97/1300592297.db2.gz HPUJWKQLKHFZJA-KRWDZBQOSA-N 2 0 332.492 3.391 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCOCC2)CCCO1 ZINC000762646604 1301721688 /nfs/dbraw/zinc/72/16/88/1301721688.db2.gz AMUDCMIRQGHVSP-RXVVDRJESA-N 2 0 346.515 3.245 20 0 EGADRP Cc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000882725811 1302080718 /nfs/dbraw/zinc/08/07/18/1302080718.db2.gz BLZPOBXVNVKEKA-QGZVFWFLSA-N 2 0 343.446 3.420 20 0 EGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000882725810 1302081130 /nfs/dbraw/zinc/08/11/30/1302081130.db2.gz BLZPOBXVNVKEKA-KRWDZBQOSA-N 2 0 343.446 3.420 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000765358829 1302253228 /nfs/dbraw/zinc/25/32/28/1302253228.db2.gz FDPSRKHPOVMYGZ-BLLLJJGKSA-N 2 0 330.394 3.059 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000765771469 1302321743 /nfs/dbraw/zinc/32/17/43/1302321743.db2.gz RIGWWLGEEAXDLF-INIZCTEOSA-N 2 0 329.488 3.196 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(Br)cc1F)C1CC[NH+](C)CC1 ZINC000765871821 1302344178 /nfs/dbraw/zinc/34/41/78/1302344178.db2.gz SDSIVFIGMUVZIB-GFCCVEGCSA-N 2 0 343.284 3.451 20 0 EGADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000768092481 1302822588 /nfs/dbraw/zinc/82/25/88/1302822588.db2.gz YRBVOXIPNMSJLU-LJQANCHMSA-N 2 0 345.531 3.078 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000768184685 1302846939 /nfs/dbraw/zinc/84/69/39/1302846939.db2.gz SWBSVQDLWQRBQC-UHFFFAOYSA-N 2 0 326.440 3.151 20 0 EGADRP C[C@H](C(=O)OCC[NH+](C)Cc1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000769110104 1303049416 /nfs/dbraw/zinc/04/94/16/1303049416.db2.gz VZSBCUIEVLVSRT-OWCLPIDISA-N 2 0 336.451 3.062 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885923737 1303278147 /nfs/dbraw/zinc/27/81/47/1303278147.db2.gz BUXJOZHTHDCDLU-OTWHNJEPSA-N 2 0 338.536 3.062 20 0 EGADRP CO[C@@H]1CC[C@H]([NH+](C)[C@@H]2CC[C@@H]([N@@H+](C)[C@@H]3CC[C@H](OC)C3)CC2)C1 ZINC000886389452 1303454249 /nfs/dbraw/zinc/45/42/49/1303454249.db2.gz JSMBLKDBBALJAC-XRRMGXKQSA-N 2 0 338.536 3.296 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000886551572 1303497105 /nfs/dbraw/zinc/49/71/05/1303497105.db2.gz KGAXLGKIAJUAJT-XBMUEBEBSA-N 2 0 336.520 3.101 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000886552156 1303498101 /nfs/dbraw/zinc/49/81/01/1303498101.db2.gz VOTUKGWIJOXMBW-MOMVYJMYSA-N 2 0 347.547 3.307 20 0 EGADRP CC(=O)NCc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000886634847 1303534253 /nfs/dbraw/zinc/53/42/53/1303534253.db2.gz OHISGQKRCZKENH-UHFFFAOYSA-N 2 0 343.515 3.209 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000886639617 1303535646 /nfs/dbraw/zinc/53/56/46/1303535646.db2.gz HKFCGXGSMDKFQQ-UHFFFAOYSA-N 3 0 333.564 3.495 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000886650246 1303539338 /nfs/dbraw/zinc/53/93/38/1303539338.db2.gz SGNSPMJGRFUOHB-UHFFFAOYSA-N 2 0 329.444 3.420 20 0 EGADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000773032088 1303611643 /nfs/dbraw/zinc/61/16/43/1303611643.db2.gz SDMNUPASAPEZSZ-PZPSRYQVSA-N 2 0 326.431 3.097 20 0 EGADRP Cc1ncc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000773081251 1303620136 /nfs/dbraw/zinc/62/01/36/1303620136.db2.gz LTWJQMMCOVBNCT-CQSZACIVSA-N 2 0 333.501 3.285 20 0 EGADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000887135107 1303687494 /nfs/dbraw/zinc/68/74/94/1303687494.db2.gz WILPJGUACYFQAN-MRXNPFEDSA-N 2 0 333.476 3.104 20 0 EGADRP C[NH+](C)C1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000774303935 1303795568 /nfs/dbraw/zinc/79/55/68/1303795568.db2.gz SPVJURIDJNVTMC-PRJVBOEPSA-N 2 0 342.531 3.254 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2[nH]1 ZINC000775626245 1303996572 /nfs/dbraw/zinc/99/65/72/1303996572.db2.gz BGYSUUGGACSPOJ-KPOBHBOGSA-N 2 0 327.472 3.196 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2ccccc2[nH]1 ZINC000775626248 1303996692 /nfs/dbraw/zinc/99/66/92/1303996692.db2.gz BGYSUUGGACSPOJ-PNHOKKKMSA-N 2 0 327.472 3.196 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3C[C@@](C)(C4CCCC4)CC3=O)C2)CC1 ZINC000780438539 1304691528 /nfs/dbraw/zinc/69/15/28/1304691528.db2.gz PBKAOKODOKORKK-RXVVDRJESA-N 2 0 347.547 3.036 20 0 EGADRP C[C@H]1C[NH+](CCCCCCCCC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000781885503 1304886576 /nfs/dbraw/zinc/88/65/76/1304886576.db2.gz QIQYOZJPKUBUIP-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782769958 1305010227 /nfs/dbraw/zinc/01/02/27/1305010227.db2.gz RPBIVVFADJUCTF-OAQYLSRUSA-N 2 0 346.515 3.245 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC1CC[NH+](C)CC1 ZINC000891732729 1305149535 /nfs/dbraw/zinc/14/95/35/1305149535.db2.gz XKGITBLMPBDESI-UHFFFAOYSA-N 2 0 326.488 3.283 20 0 EGADRP Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891770423 1305160095 /nfs/dbraw/zinc/16/00/95/1305160095.db2.gz JTOQSIIJRNFUMZ-IBGZPJMESA-N 2 0 326.488 3.442 20 0 EGADRP C[NH+]1CCC(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000891772187 1305161048 /nfs/dbraw/zinc/16/10/48/1305161048.db2.gz XYSKSUKMZHKGLJ-RYUDHWBXSA-N 2 0 332.332 3.391 20 0 EGADRP Cc1[nH+]c2ccccc2c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000784149236 1305197244 /nfs/dbraw/zinc/19/72/44/1305197244.db2.gz NXASYOFKGGETQC-SFHVURJKSA-N 2 0 339.483 3.329 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892467520 1305389297 /nfs/dbraw/zinc/38/92/97/1305389297.db2.gz ZYXXERVYZBQAMR-UHFFFAOYSA-N 2 0 326.488 3.429 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cccc(COCc3ccco3)c2)CC1 ZINC000892563862 1305442986 /nfs/dbraw/zinc/44/29/86/1305442986.db2.gz HFFPWGMIUOFYPA-UHFFFAOYSA-N 2 0 328.456 3.428 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000892632841 1305480948 /nfs/dbraw/zinc/48/09/48/1305480948.db2.gz OMWGBDSZDACYSF-UHFFFAOYSA-N 2 0 329.488 3.247 20 0 EGADRP CCC[N@H+](CC1CCCCC1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790365320 1306309315 /nfs/dbraw/zinc/30/93/15/1306309315.db2.gz BWDYYUSKPAECAW-HXUWFJFHSA-N 2 0 349.519 3.153 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000790748966 1308858769 /nfs/dbraw/zinc/85/87/69/1308858769.db2.gz SROCXLGTENMENH-CVEARBPZSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000790748968 1308858899 /nfs/dbraw/zinc/85/88/99/1308858899.db2.gz SROCXLGTENMENH-HZPDHXFCSA-N 2 0 341.540 3.390 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000894763655 1309057627 /nfs/dbraw/zinc/05/76/27/1309057627.db2.gz PHSHWPGDPBPTHS-MRXNPFEDSA-N 2 0 331.287 3.132 20 0 EGADRP Cn1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000895686952 1309465490 /nfs/dbraw/zinc/46/54/90/1309465490.db2.gz XCRZKVVLRQZGDH-UHFFFAOYSA-N 2 0 341.503 3.180 20 0 EGADRP Cc1ccc(CC2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)cc1C ZINC000794598046 1309551439 /nfs/dbraw/zinc/55/14/39/1309551439.db2.gz LSXFNPFXESJATG-OAQYLSRUSA-N 2 0 330.516 3.015 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000796723520 1310073071 /nfs/dbraw/zinc/07/30/71/1310073071.db2.gz FGYMLNSXCRIFCR-FQVISZRSSA-N 2 0 338.499 3.440 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000799028565 1310470913 /nfs/dbraw/zinc/47/09/13/1310470913.db2.gz BLPWTSDKPCDXKB-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)CC1 ZINC000799178004 1310500880 /nfs/dbraw/zinc/50/08/80/1310500880.db2.gz IOHZRLMQKXGJOA-UHFFFAOYSA-N 2 0 349.906 3.476 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccccc2-c2ccccc2)CC1(C)C ZINC000799347090 1310532283 /nfs/dbraw/zinc/53/22/83/1310532283.db2.gz WLENRJRZDVWEPF-UHFFFAOYSA-N 2 0 337.511 3.469 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000898391658 1310706746 /nfs/dbraw/zinc/70/67/46/1310706746.db2.gz JPKHBSOCTFJSKO-LWILDLIXSA-N 2 0 328.500 3.277 20 0 EGADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000899164583 1310961656 /nfs/dbraw/zinc/96/16/56/1310961656.db2.gz POKBUUNOUYBLIJ-RTBURBONSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857262060 1328525510 /nfs/dbraw/zinc/52/55/10/1328525510.db2.gz AQPRYIYQANBGTL-YLJYHZDGSA-N 2 0 345.531 3.346 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019068893 1317031727 /nfs/dbraw/zinc/03/17/27/1317031727.db2.gz SDXJICBJLPMELN-SFHVURJKSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001019274660 1317141457 /nfs/dbraw/zinc/14/14/57/1317141457.db2.gz JRIGSECWZHVAKF-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019298048 1317152502 /nfs/dbraw/zinc/15/25/02/1317152502.db2.gz XHBDRKSNMBYQRF-SFHVURJKSA-N 2 0 345.487 3.036 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900349540 1317279329 /nfs/dbraw/zinc/27/93/29/1317279329.db2.gz BPMSXQUMBSVWPQ-PMACEKPBSA-N 2 0 341.499 3.280 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)c1 ZINC000900650594 1317319506 /nfs/dbraw/zinc/31/95/06/1317319506.db2.gz CRFBKBWZDRKBTB-WOJBJXKFSA-N 2 0 343.515 3.160 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cc(-c3ccccc3C(F)(F)F)no2)CC1 ZINC000901398780 1317418878 /nfs/dbraw/zinc/41/88/78/1317418878.db2.gz ZPQNSDRAMCZDDO-UHFFFAOYSA-N 2 0 339.361 3.326 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001019823839 1317439909 /nfs/dbraw/zinc/43/99/09/1317439909.db2.gz WQWKJDVCEMDUBU-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019820650 1317440101 /nfs/dbraw/zinc/44/01/01/1317440101.db2.gz SAFYELHGGQDHMI-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)c3sccc3C[NH+](C)C)CC2)CC1 ZINC000957555590 1317452645 /nfs/dbraw/zinc/45/26/45/1317452645.db2.gz FOEODDLGLCBKST-UHFFFAOYSA-N 2 0 349.544 3.148 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957635718 1317509717 /nfs/dbraw/zinc/50/97/17/1317509717.db2.gz HWELCVLVQNGFAU-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CNc1ccc(C)cc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000902076921 1317518273 /nfs/dbraw/zinc/51/82/73/1317518273.db2.gz COUAOEKMUPASDN-UHFFFAOYSA-N 2 0 327.472 3.267 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC000957647421 1317518514 /nfs/dbraw/zinc/51/85/14/1317518514.db2.gz HGRQGBQUOKOSMW-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020144031 1317559699 /nfs/dbraw/zinc/55/96/99/1317559699.db2.gz OJDVPHQNXCARKU-UFYCRDLUSA-N 2 0 349.563 3.457 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC000902389234 1317571693 /nfs/dbraw/zinc/57/16/93/1317571693.db2.gz TVVFVTFQYAEAJV-IEBWSBKVSA-N 2 0 328.500 3.448 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000902439982 1317578835 /nfs/dbraw/zinc/57/88/35/1317578835.db2.gz WBBKYKZXZWYELU-NMSZZDKCSA-N 2 0 327.516 3.244 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC2)C1 ZINC000902438352 1317578913 /nfs/dbraw/zinc/57/89/13/1317578913.db2.gz MVVAPTOEBYEXCF-ZQYQINFJSA-N 2 0 327.516 3.244 20 0 EGADRP COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[NH+](C)C)c1 ZINC000903055656 1317644248 /nfs/dbraw/zinc/64/42/48/1317644248.db2.gz IZPYKDMBPNDSLE-ZJVRTDGDSA-N 2 0 343.515 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020339903 1317651643 /nfs/dbraw/zinc/65/16/43/1317651643.db2.gz AILJBNSEFZGUSD-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC(c3ccccc3F)C1)C2 ZINC000903115052 1317656189 /nfs/dbraw/zinc/65/61/89/1317656189.db2.gz KWHURYWQZMWSTM-MRJAGOFRSA-N 2 0 346.490 3.141 20 0 EGADRP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903116189 1317656302 /nfs/dbraw/zinc/65/63/02/1317656302.db2.gz LLRLHNCSRNXAOJ-YTTRVJOFSA-N 2 0 337.508 3.037 20 0 EGADRP C[C@H](O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccccc1 ZINC000903160412 1317665301 /nfs/dbraw/zinc/66/53/01/1317665301.db2.gz LRBPYIYCOIRPFM-PHASAHSISA-N 2 0 342.527 3.364 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)cc1C[NH+]1CCCCC1 ZINC000903409131 1317698070 /nfs/dbraw/zinc/69/80/70/1317698070.db2.gz VRQBWJBHTSNQMF-OXQOHEQNSA-N 2 0 346.515 3.493 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC000903447099 1317700929 /nfs/dbraw/zinc/70/09/29/1317700929.db2.gz DPYHQVUCRTUAAN-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP Fc1cccc(CC2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903722519 1317725125 /nfs/dbraw/zinc/72/51/25/1317725125.db2.gz LYTXBJVNZZOOEW-FQEVSTJZSA-N 2 0 346.490 3.239 20 0 EGADRP Clc1ccc2c(c1Cl)CCN(C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903726461 1317725393 /nfs/dbraw/zinc/72/53/93/1317725393.db2.gz LXEPRPDIXFQTQL-GUYCJALGSA-N 2 0 341.282 3.120 20 0 EGADRP Fc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903728757 1317725696 /nfs/dbraw/zinc/72/56/96/1317725696.db2.gz GGBZMHJNGDWQON-CRAIPNDOSA-N 2 0 336.426 3.260 20 0 EGADRP c1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903727631 1317725858 /nfs/dbraw/zinc/72/58/58/1317725858.db2.gz WIRFHOCMAWMYSO-PMACEKPBSA-N 2 0 328.500 3.242 20 0 EGADRP c1c2c(oc1-c1ccccc1)C[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903734675 1317727564 /nfs/dbraw/zinc/72/75/64/1317727564.db2.gz UUQBDCFGUHSIBP-WIYYLYMNSA-N 2 0 338.451 3.073 20 0 EGADRP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734716 1317727704 /nfs/dbraw/zinc/72/77/04/1317727704.db2.gz VERBSBRTWYOSOL-PCCBWWKXSA-N 2 0 328.500 3.100 20 0 EGADRP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903758782 1317730974 /nfs/dbraw/zinc/73/09/74/1317730974.db2.gz MKJVFKJHNZVQEH-HRCADAONSA-N 2 0 346.368 3.177 20 0 EGADRP CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778184 1317731707 /nfs/dbraw/zinc/73/17/07/1317731707.db2.gz KEXMDDHYZBSPLS-OXFYSEKESA-N 2 0 332.463 3.162 20 0 EGADRP COC(=O)c1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cs1 ZINC000903792433 1317735407 /nfs/dbraw/zinc/73/54/07/1317735407.db2.gz ASFMHUDOBNYVJL-UHFFFAOYSA-N 2 0 344.480 3.027 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903900106 1317745464 /nfs/dbraw/zinc/74/54/64/1317745464.db2.gz ZXZYXDVOYABBDY-XSLAUPDRSA-N 3 0 333.564 3.494 20 0 EGADRP C[N@@H+]1CCCC[C@H](CNCc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000858245218 1328720685 /nfs/dbraw/zinc/72/06/85/1328720685.db2.gz DKIRRIYVMFBGEI-QGZVFWFLSA-N 2 0 346.906 3.406 20 0 EGADRP c1csc(C[C@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000903987377 1317762681 /nfs/dbraw/zinc/76/26/81/1317762681.db2.gz DWVSLRCEGUBEKF-CYBMUJFWSA-N 2 0 333.526 3.305 20 0 EGADRP C[C@@]1(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000904320708 1317829677 /nfs/dbraw/zinc/82/96/77/1317829677.db2.gz MVPIOSDLJWEOKC-RBUKOAKNSA-N 2 0 336.907 3.475 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000904320961 1317829752 /nfs/dbraw/zinc/82/97/52/1317829752.db2.gz SDWUPRZXHIQVFB-HLAWJBBLSA-N 2 0 329.532 3.361 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904371543 1317837816 /nfs/dbraw/zinc/83/78/16/1317837816.db2.gz QDFMLLOCPSBHRR-IAGOWNOFSA-N 2 0 342.405 3.482 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000904406763 1317843628 /nfs/dbraw/zinc/84/36/28/1317843628.db2.gz VVGLFRILZWETND-SNVBAGLBSA-N 2 0 349.219 3.221 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1cccc2c1NCC2 ZINC000904473451 1317851992 /nfs/dbraw/zinc/85/19/92/1317851992.db2.gz IUGUSDHLNZPJIU-RXVVDRJESA-N 2 0 335.451 3.000 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001020676124 1317852629 /nfs/dbraw/zinc/85/26/29/1317852629.db2.gz SLOVGDMWDWWINM-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000904477057 1317852747 /nfs/dbraw/zinc/85/27/47/1317852747.db2.gz WXOHWOUDUXVFPE-HBXLWWENSA-N 2 0 330.472 3.037 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904658362 1317876977 /nfs/dbraw/zinc/87/69/77/1317876977.db2.gz CXPMCGWKRXFXRU-OAHLLOKOSA-N 2 0 332.492 3.167 20 0 EGADRP C[N@H+](Cc1cc(Cl)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741680 1317886394 /nfs/dbraw/zinc/88/63/94/1317886394.db2.gz RZGHHSHIWQHVGZ-OAHLLOKOSA-N 2 0 327.925 3.002 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)F ZINC000905044481 1317916504 /nfs/dbraw/zinc/91/65/04/1317916504.db2.gz COXLPYDXYXSTQN-KBXCAEBGSA-N 2 0 326.431 3.167 20 0 EGADRP COc1ccc([C@@H](CNc2cc[nH+]c(CO)c2)[NH+]2CCCCC2)cc1 ZINC000858313628 1328734499 /nfs/dbraw/zinc/73/44/99/1328734499.db2.gz MGVJJSHLRWKHHK-HXUWFJFHSA-N 2 0 341.455 3.222 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020927679 1318000897 /nfs/dbraw/zinc/00/08/97/1318000897.db2.gz OBRDFXXQZMZQEA-UAFMIMERSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020927678 1318001304 /nfs/dbraw/zinc/00/13/04/1318001304.db2.gz OBRDFXXQZMZQEA-MUGJNUQGSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)c1 ZINC001021090593 1318078217 /nfs/dbraw/zinc/07/82/17/1318078217.db2.gz IANDCOXNDSRKOF-MXVIHJGJSA-N 2 0 343.515 3.179 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)c1 ZINC001021089965 1318078345 /nfs/dbraw/zinc/07/83/45/1318078345.db2.gz DQXCULRVHGUWCH-WGSAOQKQSA-N 2 0 343.515 3.035 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960068928 1318338674 /nfs/dbraw/zinc/33/86/74/1318338674.db2.gz FSCGGPZGRXQTDH-IBGZPJMESA-N 2 0 340.471 3.109 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960096706 1318353088 /nfs/dbraw/zinc/35/30/88/1318353088.db2.gz LDROPXSJCACHJY-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC000960135744 1318375648 /nfs/dbraw/zinc/37/56/48/1318375648.db2.gz KPEXPSAQNDBEDA-BTRQGYIVSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000960217697 1318416219 /nfs/dbraw/zinc/41/62/19/1318416219.db2.gz WWOFERFKCQBWLQ-ICSRJNTNSA-N 2 0 343.515 3.123 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960221251 1318417591 /nfs/dbraw/zinc/41/75/91/1318417591.db2.gz NPBXNYNROQZLQJ-FQEVSTJZSA-N 2 0 347.547 3.334 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605789 1318452469 /nfs/dbraw/zinc/45/24/69/1318452469.db2.gz NMNHOHAMBXURKX-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670619 1318534987 /nfs/dbraw/zinc/53/49/87/1318534987.db2.gz NEIDDPKELGOBHI-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@@H](CNc1cc[nH+]c(CO)c1)c1cccc(C(F)(F)F)c1 ZINC000858486934 1328776230 /nfs/dbraw/zinc/77/62/30/1328776230.db2.gz REKHUFIMSFDOIQ-INIZCTEOSA-N 2 0 339.361 3.308 20 0 EGADRP C[NH+](C)[C@H](CNc1cc[nH+]c(CO)c1)c1cccc(C(F)(F)F)c1 ZINC000858486935 1328776346 /nfs/dbraw/zinc/77/63/46/1328776346.db2.gz REKHUFIMSFDOIQ-MRXNPFEDSA-N 2 0 339.361 3.308 20 0 EGADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813880238 1318650706 /nfs/dbraw/zinc/65/07/06/1318650706.db2.gz DHGGJKGUVXHFBN-HLKUOHOZSA-N 2 0 328.500 3.321 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960629039 1318756425 /nfs/dbraw/zinc/75/64/25/1318756425.db2.gz PSHJYVHPLOCANV-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960720484 1318829567 /nfs/dbraw/zinc/82/95/67/1318829567.db2.gz UTWKRCOLXUFBBC-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022200976 1318839110 /nfs/dbraw/zinc/83/91/10/1318839110.db2.gz BTLRUFJQPXRFOO-HSALFYBXSA-N 2 0 347.547 3.377 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022200997 1318839658 /nfs/dbraw/zinc/83/96/58/1318839658.db2.gz CATVNTDSSXTVLP-HSALFYBXSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022202454 1318840974 /nfs/dbraw/zinc/84/09/74/1318840974.db2.gz ZDXLHNDKJUOTJQ-CEXWTWQISA-N 2 0 335.536 3.066 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC000960979144 1319112581 /nfs/dbraw/zinc/11/25/81/1319112581.db2.gz OURBHIPKHRNFQT-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001022838399 1319132451 /nfs/dbraw/zinc/13/24/51/1319132451.db2.gz MUAOQQUTKOJGDC-ZGXWSNOMSA-N 2 0 347.547 3.211 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000961031124 1319153980 /nfs/dbraw/zinc/15/39/80/1319153980.db2.gz IYMNMGMNYIJLPY-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001022958827 1319189076 /nfs/dbraw/zinc/18/90/76/1319189076.db2.gz WXQDSKNRESLVFM-FGTMMUONSA-N 2 0 349.544 3.140 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023125522 1319273761 /nfs/dbraw/zinc/27/37/61/1319273761.db2.gz RZMLZXAFGSLRBV-AMBYYYRHSA-N 2 0 349.563 3.312 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000817905762 1319457181 /nfs/dbraw/zinc/45/71/81/1319457181.db2.gz NRWSWBSWWRTERS-MGPLVRAMSA-N 2 0 337.826 3.025 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817906194 1319457308 /nfs/dbraw/zinc/45/73/08/1319457308.db2.gz YARBUPCUFZZXCD-QKKBWIMNSA-N 2 0 335.451 3.386 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000817916266 1319460433 /nfs/dbraw/zinc/46/04/33/1319460433.db2.gz DNFQTIMJHSPILW-VJUNAUMWSA-N 2 0 326.843 3.023 20 0 EGADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000817923562 1319461292 /nfs/dbraw/zinc/46/12/92/1319461292.db2.gz ZCSFPKQUMDLGTC-MITOVEEUSA-N 2 0 342.483 3.036 20 0 EGADRP O=C(CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OCc1ccccc1 ZINC000817922098 1319461508 /nfs/dbraw/zinc/46/15/08/1319461508.db2.gz PVFRMBZFGFDSGP-ZCNNSNEGSA-N 2 0 344.499 3.410 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)OCCO2 ZINC000817949945 1319472999 /nfs/dbraw/zinc/47/29/99/1319472999.db2.gz USKGKWFIZQUAFI-GOSISDBHSA-N 2 0 326.440 3.200 20 0 EGADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817948071 1319473255 /nfs/dbraw/zinc/47/32/55/1319473255.db2.gz UDRQOPQNPBSEIV-QDIHITRGSA-N 2 0 325.497 3.024 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950295 1319474662 /nfs/dbraw/zinc/47/46/62/1319474662.db2.gz YEIBLXJKWJXANI-GCJKJVERSA-N 3 0 337.511 3.188 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC ZINC000817954759 1319475326 /nfs/dbraw/zinc/47/53/26/1319475326.db2.gz IWASKWFBILIPDR-DLBZAZTESA-N 3 0 333.520 3.187 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023365282 1319476946 /nfs/dbraw/zinc/47/69/46/1319476946.db2.gz BHNKVFGLZGMWJU-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[NH2+]CCN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817961803 1319478102 /nfs/dbraw/zinc/47/81/02/1319478102.db2.gz CPCCPARDEYQTHL-QGZVFWFLSA-N 2 0 333.520 3.331 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817966781 1319479351 /nfs/dbraw/zinc/47/93/51/1319479351.db2.gz VJLYFOFSSFBKFQ-KXBFYZLASA-N 2 0 331.460 3.074 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1Cn1cccn1 ZINC000817975114 1319482565 /nfs/dbraw/zinc/48/25/65/1319482565.db2.gz JBLSAJNTNRBQIE-HZPDHXFCSA-N 2 0 330.476 3.108 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000817976989 1319483738 /nfs/dbraw/zinc/48/37/38/1319483738.db2.gz YRAGOSUYKQJKAM-JXFKEZNVSA-N 3 0 345.531 3.330 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Br)ncc1F ZINC000817987830 1319486829 /nfs/dbraw/zinc/48/68/29/1319486829.db2.gz YNVJWLAQYIDNLB-WHOHXGKFSA-N 2 0 342.256 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961343985 1319498190 /nfs/dbraw/zinc/49/81/90/1319498190.db2.gz YXTNWVYIAUBZQR-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961363900 1319519967 /nfs/dbraw/zinc/51/99/67/1319519967.db2.gz CDJIEYGXHOHBJS-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023449931 1319552302 /nfs/dbraw/zinc/55/23/02/1319552302.db2.gz BVBLZJWVOPKYOA-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001023450976 1319553563 /nfs/dbraw/zinc/55/35/63/1319553563.db2.gz BTAXSYXBNCRKHH-KRWDZBQOSA-N 2 0 342.487 3.131 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469523 1319567042 /nfs/dbraw/zinc/56/70/42/1319567042.db2.gz GYCKOBXWHUTUKT-MRXNPFEDSA-N 2 0 342.487 3.212 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000818967034 1319595852 /nfs/dbraw/zinc/59/58/52/1319595852.db2.gz QFWGWTXTCXUWPI-BLLLJJGKSA-N 2 0 331.287 3.348 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000818971657 1319599299 /nfs/dbraw/zinc/59/92/99/1319599299.db2.gz AKLWWOZFLHUHIJ-BZNIZROVSA-N 2 0 329.271 3.101 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818979894 1319602336 /nfs/dbraw/zinc/60/23/36/1319602336.db2.gz CWKFNAWCDKELBB-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000819102518 1319636101 /nfs/dbraw/zinc/63/61/01/1319636101.db2.gz KVQINPGYVHZZBF-IUODEOHRSA-N 2 0 332.410 3.305 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001023555545 1319666563 /nfs/dbraw/zinc/66/65/63/1319666563.db2.gz WWVKYBCJAJTWMU-IHPCNDPISA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001023572612 1319687106 /nfs/dbraw/zinc/68/71/06/1319687106.db2.gz IZWRNPHXQSJVFR-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962232108 1319871560 /nfs/dbraw/zinc/87/15/60/1319871560.db2.gz DYJCNGJWSINNLX-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761983 1319907349 /nfs/dbraw/zinc/90/73/49/1319907349.db2.gz OHJICSZAJLZWEQ-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000820814376 1319958353 /nfs/dbraw/zinc/95/83/53/1319958353.db2.gz JIWSEJHBQQBLJS-ICSRJNTNSA-N 2 0 331.504 3.219 20 0 EGADRP C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000820824170 1319963025 /nfs/dbraw/zinc/96/30/25/1319963025.db2.gz RONZQVYQAZPZGC-SNRMKQJTSA-N 2 0 334.529 3.454 20 0 EGADRP C[C@@H]([NH3+])[C@H](C)c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000822919554 1320136746 /nfs/dbraw/zinc/13/67/46/1320136746.db2.gz JQSSOFIDMXTLOA-LSDHHAIUSA-N 2 0 328.460 3.419 20 0 EGADRP C[C@@H]1C[C@@H](NCc2cc(C3CC3)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000823966679 1320218770 /nfs/dbraw/zinc/21/87/70/1320218770.db2.gz ZOUPRWKTIQBTSM-APWZRJJASA-N 2 0 338.499 3.440 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824081187 1320226690 /nfs/dbraw/zinc/22/66/90/1320226690.db2.gz SVJWJYHEWKHFOK-IRXDYDNUSA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824081188 1320226746 /nfs/dbraw/zinc/22/67/46/1320226746.db2.gz SVJWJYHEWKHFOK-SJORKVTESA-N 2 0 341.540 3.344 20 0 EGADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCCC2)o1 ZINC000824366001 1320251429 /nfs/dbraw/zinc/25/14/29/1320251429.db2.gz GIGWUILISPWYTQ-QZTJIDSGSA-N 2 0 345.487 3.012 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)CC1 ZINC000825762207 1320361228 /nfs/dbraw/zinc/36/12/28/1320361228.db2.gz DXUFCIQPELVHPW-FQEVSTJZSA-N 2 0 344.499 3.162 20 0 EGADRP Cc1ccc([C@@H](O)[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000839093343 1320868690 /nfs/dbraw/zinc/86/86/90/1320868690.db2.gz YQMSTRKSCQQIEM-UZLBHIALSA-N 2 0 325.456 3.071 20 0 EGADRP CCCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000840892085 1321172116 /nfs/dbraw/zinc/17/21/16/1321172116.db2.gz UZFUFOLTOWESQV-KRWDZBQOSA-N 2 0 345.531 3.442 20 0 EGADRP CCC([NH3+])(CC)C[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000841029278 1321203725 /nfs/dbraw/zinc/20/37/25/1321203725.db2.gz OCBJUGWLLVSMSK-UHFFFAOYSA-N 2 0 347.503 3.142 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032066 1321204810 /nfs/dbraw/zinc/20/48/10/1321204810.db2.gz IXKNLTZELAMLMB-UHFFFAOYSA-N 2 0 328.847 3.018 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(SC(F)F)cc2)CC[NH2+]CC1 ZINC000841067987 1321212812 /nfs/dbraw/zinc/21/28/12/1321212812.db2.gz IHSXBPXQBYHWBW-UHFFFAOYSA-N 2 0 330.444 3.107 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NCCCCCCC[NH+]2CCCC2)cc1 ZINC000841325241 1321257063 /nfs/dbraw/zinc/25/70/63/1321257063.db2.gz KSLIWTIEHHCWSM-UHFFFAOYSA-N 2 0 332.492 3.313 20 0 EGADRP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841690453 1321298100 /nfs/dbraw/zinc/29/81/00/1321298100.db2.gz VUXFRRBUJUCUAJ-HLIPFELVSA-N 2 0 349.519 3.007 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000842472125 1321392364 /nfs/dbraw/zinc/39/23/64/1321392364.db2.gz RRCPETBXMZIJFA-UHFFFAOYSA-N 2 0 333.476 3.102 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000842472286 1321392419 /nfs/dbraw/zinc/39/24/19/1321392419.db2.gz WAGSLGWCGGVBTH-LJQANCHMSA-N 2 0 331.504 3.180 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055608 1321462958 /nfs/dbraw/zinc/46/29/58/1321462958.db2.gz HUHKTLUPVNHFKD-UHFFFAOYSA-N 2 0 330.451 3.330 20 0 EGADRP COc1c(Br)cccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843054669 1321463406 /nfs/dbraw/zinc/46/34/06/1321463406.db2.gz AKNJECZRXBHFFU-UHFFFAOYSA-N 2 0 327.266 3.159 20 0 EGADRP O[C@@H](C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000843064511 1321464547 /nfs/dbraw/zinc/46/45/47/1321464547.db2.gz GZHHYVMMUVXINQ-MJGOQNOKSA-N 2 0 330.497 3.283 20 0 EGADRP [NH3+]CCCCCC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000843127475 1321474322 /nfs/dbraw/zinc/47/43/22/1321474322.db2.gz PJOYXOUZSFMWMV-UHFFFAOYSA-N 2 0 342.274 3.183 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378287 1321508623 /nfs/dbraw/zinc/50/86/23/1321508623.db2.gz ZGQUBHCDMXQBFR-HOTGVXAUSA-N 2 0 325.456 3.228 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000844164945 1321575602 /nfs/dbraw/zinc/57/56/02/1321575602.db2.gz UWPXTNRLJSEOMZ-LJQANCHMSA-N 2 0 331.504 3.192 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000846222618 1321777299 /nfs/dbraw/zinc/77/72/99/1321777299.db2.gz WKGTUIQRGCVZCT-OAQYLSRUSA-N 3 0 329.532 3.494 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H]1CC[NH3+] ZINC000846226639 1321778235 /nfs/dbraw/zinc/77/82/35/1321778235.db2.gz SDGYUBXQJUSWPM-AUUYWEPGSA-N 2 0 340.467 3.231 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCN(CC[NH+]4CCCC4)CC3)CC2)cc1 ZINC000930868264 1328992594 /nfs/dbraw/zinc/99/25/94/1328992594.db2.gz PBZZQBYNTLMSKG-UHFFFAOYSA-N 2 0 341.543 3.460 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)o1 ZINC000848898898 1322037607 /nfs/dbraw/zinc/03/76/07/1322037607.db2.gz ZVRGEGVFWQWURI-QXMHVHEDSA-N 2 0 346.471 3.353 20 0 EGADRP C[C@@H]1C[C@@H](CCNC(=[NH2+])N2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989286 1322056488 /nfs/dbraw/zinc/05/64/88/1322056488.db2.gz LIIWUAWQXOMWTQ-IEBWSBKVSA-N 2 0 328.504 3.297 20 0 EGADRP C[C@H]1C[C@@H](CCNC(=[NH2+])Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000848989831 1322056989 /nfs/dbraw/zinc/05/69/89/1322056989.db2.gz DVCVZSGGGWNKDH-FUHWJXTLSA-N 2 0 337.471 3.319 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCc1ccc(Cl)s1 ZINC000849002026 1322057483 /nfs/dbraw/zinc/05/74/83/1322057483.db2.gz HIVTVKCNZIJFAY-ZDUSSCGKSA-N 2 0 342.940 3.322 20 0 EGADRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000849062052 1322063090 /nfs/dbraw/zinc/06/30/90/1322063090.db2.gz LSOUCGYHQLBAFH-IRXDYDNUSA-N 2 0 345.535 3.162 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000849065633 1322064059 /nfs/dbraw/zinc/06/40/59/1322064059.db2.gz NUNFSFAZAMERNU-HZPDHXFCSA-N 2 0 346.519 3.066 20 0 EGADRP Cc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000849066654 1322064068 /nfs/dbraw/zinc/06/40/68/1322064068.db2.gz LDXXSFVZHZZCFX-PKOBYXMFSA-N 2 0 328.504 3.388 20 0 EGADRP [NH2+]=C(NC[C@H]1Cc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849071720 1322066650 /nfs/dbraw/zinc/06/66/50/1322066650.db2.gz CGUDODJOILEKAU-LJQANCHMSA-N 2 0 348.494 3.105 20 0 EGADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083306 1322070827 /nfs/dbraw/zinc/07/08/27/1322070827.db2.gz YTHQEWXZWCXQEY-UHFFFAOYSA-N 2 0 332.370 3.300 20 0 EGADRP CC[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[NH+]1CCCC1 ZINC000849083576 1322071769 /nfs/dbraw/zinc/07/17/69/1322071769.db2.gz YYIBXGHSGOJNMP-ZDUSSCGKSA-N 2 0 344.381 3.396 20 0 EGADRP CC[NH+]1CCC(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000849083804 1322072452 /nfs/dbraw/zinc/07/24/52/1322072452.db2.gz KBKPBFAKXDAEQC-UHFFFAOYSA-N 2 0 344.381 3.253 20 0 EGADRP COC1CC[NH+](C(C)(C)CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000849101970 1322079481 /nfs/dbraw/zinc/07/94/81/1322079481.db2.gz GEWWYINZMUFMCX-UHFFFAOYSA-N 2 0 332.492 3.129 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC000850425348 1322246206 /nfs/dbraw/zinc/24/62/06/1322246206.db2.gz QBANLDMLENHFOY-UHFFFAOYSA-N 2 0 339.524 3.288 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850464352 1322253361 /nfs/dbraw/zinc/25/33/61/1322253361.db2.gz GHHWKRLAWYLFNA-IAGOWNOFSA-N 2 0 332.488 3.163 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)ccc1OC ZINC000850513646 1322260191 /nfs/dbraw/zinc/26/01/91/1322260191.db2.gz ALSOKWATZQNEAH-HZPDHXFCSA-N 2 0 334.504 3.349 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921624608 1322365263 /nfs/dbraw/zinc/36/52/63/1322365263.db2.gz KTAYMYAAMIQOMZ-BBWFWOEESA-N 2 0 339.524 3.001 20 0 EGADRP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000921819430 1322404795 /nfs/dbraw/zinc/40/47/95/1322404795.db2.gz ZEFIZHXZKSABPO-QUCCMNQESA-N 2 0 348.556 3.407 20 0 EGADRP CCCc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922386608 1322514878 /nfs/dbraw/zinc/51/48/78/1322514878.db2.gz GSDGILFFXQDZPY-NCYKPQTJSA-N 2 0 330.516 3.208 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000922510643 1322545680 /nfs/dbraw/zinc/54/56/80/1322545680.db2.gz VLDGIUWCIUMFEO-UHFFFAOYSA-N 2 0 339.487 3.358 20 0 EGADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)ccc1-n1cncn1 ZINC000922846614 1322631928 /nfs/dbraw/zinc/63/19/28/1322631928.db2.gz CNEVUWTWMDLSIG-UHFFFAOYSA-N 2 0 339.487 3.072 20 0 EGADRP CN(Cc1ccccc1)[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325653 1322734992 /nfs/dbraw/zinc/73/49/92/1322734992.db2.gz FJHGAVJQHIUDBK-VTHDOGFWSA-N 2 0 327.516 3.113 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923362491 1322740839 /nfs/dbraw/zinc/74/08/39/1322740839.db2.gz NMTNSTBQRCVSBE-JJRVBVJISA-N 2 0 342.405 3.060 20 0 EGADRP C[C@H](c1ccsc1)N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923371120 1322741857 /nfs/dbraw/zinc/74/18/57/1322741857.db2.gz PDJAHJKNLYXOPV-VBZNHOPUSA-N 2 0 333.545 3.347 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000923483953 1322759838 /nfs/dbraw/zinc/75/98/38/1322759838.db2.gz UIJLYNRAAQSOBF-OAHLLOKOSA-N 2 0 345.874 3.485 20 0 EGADRP O=C(CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000923520986 1322768819 /nfs/dbraw/zinc/76/88/19/1322768819.db2.gz XIYRKPGHCGXJTI-RBUKOAKNSA-N 2 0 349.478 3.224 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccco1 ZINC000924577085 1323060932 /nfs/dbraw/zinc/06/09/32/1323060932.db2.gz ALDSSBHJSCAUEH-FQEVSTJZSA-N 2 0 341.499 3.099 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cccc(C[NH+](C)C)c1 ZINC000924638179 1323088068 /nfs/dbraw/zinc/08/80/68/1323088068.db2.gz ZOUIZEFEPLBBGG-KRWDZBQOSA-N 2 0 349.482 3.239 20 0 EGADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ncccc1Cl ZINC000924656978 1323097163 /nfs/dbraw/zinc/09/71/63/1323097163.db2.gz DXXDLJKIKYZUSK-QGZVFWFLSA-N 2 0 338.927 3.193 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024047438 1323097267 /nfs/dbraw/zinc/09/72/67/1323097267.db2.gz SVGNGIDIMAHBOP-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924658766 1323098610 /nfs/dbraw/zinc/09/86/10/1323098610.db2.gz MOTXPRGEHOJBAQ-INIZCTEOSA-N 2 0 329.488 3.419 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnnn1-c1ccccc1 ZINC000924681606 1323110196 /nfs/dbraw/zinc/11/01/96/1323110196.db2.gz POUWJEQYZVDLHP-GOSISDBHSA-N 2 0 341.503 3.430 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)c1 ZINC000924704416 1323123173 /nfs/dbraw/zinc/12/31/73/1323123173.db2.gz PBVVSJNMFKPLEC-UYAOXDASSA-N 2 0 334.504 3.048 20 0 EGADRP CC1(C)OC[C@H](CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000852039637 1323137269 /nfs/dbraw/zinc/13/72/69/1323137269.db2.gz HJOQLFTWYWHIOD-PZJWPPBQSA-N 2 0 344.499 3.126 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cnnn1C ZINC000924731529 1323137807 /nfs/dbraw/zinc/13/78/07/1323137807.db2.gz VBDASNRNRIXRTA-INIZCTEOSA-N 2 0 341.503 3.430 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000924844824 1323184659 /nfs/dbraw/zinc/18/46/59/1323184659.db2.gz BKKDFUJUAARMHB-INIZCTEOSA-N 2 0 327.476 3.182 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000924862395 1323189984 /nfs/dbraw/zinc/18/99/84/1323189984.db2.gz UTBQEEUIJJYNGC-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000924932477 1323218532 /nfs/dbraw/zinc/21/85/32/1323218532.db2.gz JBTKNSQENCWNQG-MRXNPFEDSA-N 2 0 343.515 3.367 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1(Cl)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924961549 1323228085 /nfs/dbraw/zinc/22/80/85/1323228085.db2.gz AEQHCEJRUPVWTK-KGLIPLIRSA-N 2 0 339.886 3.388 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)c2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000853104796 1323282704 /nfs/dbraw/zinc/28/27/04/1323282704.db2.gz XNLBHWBGXJZQKP-SLYNCCJLSA-N 2 0 339.483 3.005 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617071 1323546152 /nfs/dbraw/zinc/54/61/52/1323546152.db2.gz AVJFPNVKAPLSED-RBUKOAKNSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCC2)CC[N@@H+]1C ZINC001024620072 1323547445 /nfs/dbraw/zinc/54/74/45/1323547445.db2.gz MWQHPHHJGDTRGJ-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814983 1323717892 /nfs/dbraw/zinc/71/78/92/1323717892.db2.gz ZFJALNSILRWSDH-IEBWSBKVSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024963897 1323802967 /nfs/dbraw/zinc/80/29/67/1323802967.db2.gz YWSXACXQZMZOHK-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024979889 1323811919 /nfs/dbraw/zinc/81/19/19/1323811919.db2.gz ZMFFLGBDNPMISJ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001024979891 1323812119 /nfs/dbraw/zinc/81/21/19/1323812119.db2.gz ZMFFLGBDNPMISJ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001025010560 1323824979 /nfs/dbraw/zinc/82/49/79/1323824979.db2.gz CUOLXABYUDMYGK-IBGZPJMESA-N 2 0 345.531 3.086 20 0 EGADRP CCc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001025087379 1323886074 /nfs/dbraw/zinc/88/60/74/1323886074.db2.gz BHDPAKJMUGRIPG-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025084757 1323886102 /nfs/dbraw/zinc/88/61/02/1323886102.db2.gz GWCJDMGOEDQJGM-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001025104742 1323897254 /nfs/dbraw/zinc/89/72/54/1323897254.db2.gz DKFNDNUEPVAOPO-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC001025105030 1323897353 /nfs/dbraw/zinc/89/73/53/1323897353.db2.gz MAKLLQNZJHJJSW-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001025105605 1323898721 /nfs/dbraw/zinc/89/87/21/1323898721.db2.gz AIDHZYOHUKYIRN-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001025160054 1323930671 /nfs/dbraw/zinc/93/06/71/1323930671.db2.gz WNFRGMKNKQRSLN-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240694 1324035191 /nfs/dbraw/zinc/03/51/91/1324035191.db2.gz QLPGRDISMFXEDK-MOPGFXCFSA-N 2 0 347.547 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300971 1324134007 /nfs/dbraw/zinc/13/40/07/1324134007.db2.gz GQDVGKQXSMNKHV-RTBURBONSA-N 2 0 335.536 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527032 1324371545 /nfs/dbraw/zinc/37/15/45/1324371545.db2.gz DEJZFMBCXMPWME-XLIONFOSSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025584527 1324425912 /nfs/dbraw/zinc/42/59/12/1324425912.db2.gz IRXDGAJPTSIQBG-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586079 1324427362 /nfs/dbraw/zinc/42/73/62/1324427362.db2.gz VUGRMILCSFXKNZ-ICSRJNTNSA-N 2 0 349.563 3.290 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585284 1324427737 /nfs/dbraw/zinc/42/77/37/1324427737.db2.gz NXHHATIDWYAAAE-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026515690 1324861678 /nfs/dbraw/zinc/86/16/78/1324861678.db2.gz GIQUPPCVPZWHFP-CTWPCTMYSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH2+]CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001026571999 1324904495 /nfs/dbraw/zinc/90/44/95/1324904495.db2.gz XPOFBLOLEPUSNV-IVMQYODDSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026839692 1325041816 /nfs/dbraw/zinc/04/18/16/1325041816.db2.gz DXQMRYPQZXRFSM-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000925154623 1325068126 /nfs/dbraw/zinc/06/81/26/1325068126.db2.gz FZOOHSNEVZOHFZ-MGPUTAFESA-N 2 0 349.494 3.103 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000925238679 1325091690 /nfs/dbraw/zinc/09/16/90/1325091690.db2.gz AOEGBLZLUZKUTI-LEWJYISDSA-N 2 0 341.499 3.426 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963351376 1325144072 /nfs/dbraw/zinc/14/40/72/1325144072.db2.gz HKOUVDKVAXYVDS-FUHWJXTLSA-N 2 0 347.503 3.068 20 0 EGADRP COc1cccc(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1OC ZINC000925476336 1325167714 /nfs/dbraw/zinc/16/77/14/1325167714.db2.gz ANXLHFGJGLKVSR-SFHVURJKSA-N 2 0 328.456 3.316 20 0 EGADRP c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc1 ZINC000925492867 1325174999 /nfs/dbraw/zinc/17/49/99/1325174999.db2.gz IXZMCNUHYMPFMA-SFTDATJTSA-N 2 0 327.516 3.413 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000963380820 1325181915 /nfs/dbraw/zinc/18/19/15/1325181915.db2.gz XFPUDOCUYXRXDZ-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000963380819 1325182764 /nfs/dbraw/zinc/18/27/64/1325182764.db2.gz XFPUDOCUYXRXDZ-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925558846 1325208161 /nfs/dbraw/zinc/20/81/61/1325208161.db2.gz RUOUZJZAFMCKRA-NELGOJTGSA-N 2 0 345.918 3.061 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925564907 1325211615 /nfs/dbraw/zinc/21/16/15/1325211615.db2.gz MUTSYDFCZWHHRD-HXUWFJFHSA-N 3 0 327.516 3.163 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(F)c(Br)c1 ZINC000925591256 1325223963 /nfs/dbraw/zinc/22/39/63/1325223963.db2.gz ZNIYATDMLDUGSP-ZAQWFSBCSA-N 2 0 341.268 3.236 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001027104007 1325228453 /nfs/dbraw/zinc/22/84/53/1325228453.db2.gz KHBLHWVYOMYBSD-QUCCMNQESA-N 2 0 347.547 3.189 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000925617124 1325233353 /nfs/dbraw/zinc/23/33/53/1325233353.db2.gz UWUVTQFFGWLUOA-OAQYLSRUSA-N 3 0 338.499 3.368 20 0 EGADRP COCCC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(Cl)cc1 ZINC000925664015 1325255118 /nfs/dbraw/zinc/25/51/18/1325255118.db2.gz BVQQXCFRJFBOOC-IVPKFJTLSA-N 2 0 348.918 3.436 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925806307 1325308776 /nfs/dbraw/zinc/30/87/76/1325308776.db2.gz ZPRRRQGPMCZHCQ-OAHLLOKOSA-N 2 0 340.393 3.280 20 0 EGADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963727723 1325388925 /nfs/dbraw/zinc/38/89/25/1325388925.db2.gz DXYGWOKSWDZRER-MHJFOBGBSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[NH2+]C1CC2(CC(NC(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000963908553 1325431519 /nfs/dbraw/zinc/43/15/19/1325431519.db2.gz MXGLYMSZWCYXNA-UHFFFAOYSA-N 2 0 349.544 3.096 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000926153578 1325450418 /nfs/dbraw/zinc/45/04/18/1325450418.db2.gz DTNRJEZORBOSQI-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000964185189 1325486021 /nfs/dbraw/zinc/48/60/21/1325486021.db2.gz MOCFYRLSENIXCC-IVMQYODDSA-N 2 0 349.563 3.124 20 0 EGADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000964377136 1325496844 /nfs/dbraw/zinc/49/68/44/1325496844.db2.gz ARVVQSWBPAIUDM-XEVCZEQESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ncccc1Cl ZINC000926357074 1325525280 /nfs/dbraw/zinc/52/52/80/1325525280.db2.gz MZLLXEZUEHNQQN-INIZCTEOSA-N 2 0 338.927 3.192 20 0 EGADRP C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926359860 1325527574 /nfs/dbraw/zinc/52/75/74/1325527574.db2.gz YLBHUDQYJUQFRR-DYESRHJHSA-N 2 0 326.484 3.393 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857090310 1325572202 /nfs/dbraw/zinc/57/22/02/1325572202.db2.gz PTYWMINMIAVGKJ-WOJBJXKFSA-N 2 0 343.515 3.098 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027410502 1327636532 /nfs/dbraw/zinc/63/65/32/1327636532.db2.gz XWBQPACMUIADKP-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411119 1327637610 /nfs/dbraw/zinc/63/76/10/1327637610.db2.gz MRQQSOBHVRHUHU-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP Clc1ccnc2c1CC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926673355 1327660606 /nfs/dbraw/zinc/66/06/06/1327660606.db2.gz AQEIGBDMYGVSNP-GOSISDBHSA-N 2 0 349.906 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027433595 1327673225 /nfs/dbraw/zinc/67/32/25/1327673225.db2.gz BQXMJELFFPNYRD-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1)[NH+](C)C ZINC001027459835 1327704289 /nfs/dbraw/zinc/70/42/89/1327704289.db2.gz CUPNIOBJBPXTBK-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477971 1327733330 /nfs/dbraw/zinc/73/33/30/1327733330.db2.gz OBHDONFKYAXPGH-LJQANCHMSA-N 2 0 345.531 3.038 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027521033 1327791387 /nfs/dbraw/zinc/79/13/87/1327791387.db2.gz VWLVRFDYCBEVNY-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)c2ccccc21 ZINC000927039182 1327826510 /nfs/dbraw/zinc/82/65/10/1327826510.db2.gz SRHXOYKNQLQVLX-BIXGBWIQSA-N 2 0 341.499 3.481 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000927040682 1327828017 /nfs/dbraw/zinc/82/80/17/1327828017.db2.gz ZRGIECHFBQBMQE-YLZJTPGZSA-N 2 0 343.515 3.446 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001027578676 1327912692 /nfs/dbraw/zinc/91/26/92/1327912692.db2.gz QOPITVZLDGGTAP-UXHICEINSA-N 2 0 345.531 3.066 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC001027576764 1327913236 /nfs/dbraw/zinc/91/32/36/1327913236.db2.gz WHFGWXVRASZJJM-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027695368 1328103173 /nfs/dbraw/zinc/10/31/73/1328103173.db2.gz RZQYUVPUHYKLPH-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC000965916468 1328103860 /nfs/dbraw/zinc/10/38/60/1328103860.db2.gz XSLRMKRECLSQDL-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(C)C)C2)o1 ZINC001027700220 1328115335 /nfs/dbraw/zinc/11/53/35/1328115335.db2.gz SCNWVILXQFHLFF-KRWDZBQOSA-N 2 0 349.519 3.314 20 0 EGADRP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000927770994 1328135273 /nfs/dbraw/zinc/13/52/73/1328135273.db2.gz MKERDSNJKZTBHH-UHFFFAOYSA-N 2 0 345.487 3.014 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001027992548 1328459194 /nfs/dbraw/zinc/45/91/94/1328459194.db2.gz CGOPPKKOKKDCGX-LJQANCHMSA-N 2 0 345.531 3.086 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004249 1328466714 /nfs/dbraw/zinc/46/67/14/1328466714.db2.gz WQRSUNKQQNWFDR-APWZRJJASA-N 2 0 348.450 3.290 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000862481900 1329489540 /nfs/dbraw/zinc/48/95/40/1329489540.db2.gz APACTFOIBBWTRT-HLAWJBBLSA-N 2 0 329.532 3.219 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@H]3[NH2+]CCc4nc[nH]c43)cc2)cc1 ZINC000863692336 1329575595 /nfs/dbraw/zinc/57/55/95/1329575595.db2.gz VWXMAVVDPCSPEJ-HXUWFJFHSA-N 2 0 332.451 3.373 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccnc1Br ZINC000865397249 1329691471 /nfs/dbraw/zinc/69/14/71/1329691471.db2.gz BEBWCPHOVQDEJW-ZDUSSCGKSA-N 2 0 328.298 3.444 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000865419384 1329694650 /nfs/dbraw/zinc/69/46/50/1329694650.db2.gz RKCVWZCTYPDGDX-SFHVURJKSA-N 2 0 343.515 3.134 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000934279115 1329961231 /nfs/dbraw/zinc/96/12/31/1329961231.db2.gz VXWRDAOPAYDINT-HOJAQTOUSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[NH+]1CCCCC1 ZINC000935361553 1330047498 /nfs/dbraw/zinc/04/74/98/1330047498.db2.gz YBQHEWLMVXLKDC-QGZVFWFLSA-N 2 0 347.503 3.260 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000866413412 1330108863 /nfs/dbraw/zinc/10/88/63/1330108863.db2.gz QXAFUTAGILCCTP-YZGWKJHDSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866637172 1330136555 /nfs/dbraw/zinc/13/65/55/1330136555.db2.gz STHXLXNKZCIOLJ-JXFKEZNVSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866638312 1330136582 /nfs/dbraw/zinc/13/65/82/1330136582.db2.gz PBHMWYKHWRSVSG-IOMROCGXSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868187669 1330260191 /nfs/dbraw/zinc/26/01/91/1330260191.db2.gz NPRJXNNUDREWEF-ZWKOTPCHSA-N 2 0 344.503 3.087 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747935 1331177879 /nfs/dbraw/zinc/17/78/79/1331177879.db2.gz SFQMMLNCEQSMJA-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941029103 1331299455 /nfs/dbraw/zinc/29/94/55/1331299455.db2.gz RSSXVWDOTCNVES-IBGZPJMESA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941138702 1331350007 /nfs/dbraw/zinc/35/00/07/1331350007.db2.gz LNODXZQKYBNFBC-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942172688 1331860216 /nfs/dbraw/zinc/86/02/16/1331860216.db2.gz MBHOJSPFNCHITD-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)C[C@@H]2C)CC1 ZINC000943755713 1332254751 /nfs/dbraw/zinc/25/47/51/1332254751.db2.gz HOPJUCOUXLBYHM-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657397 1332871773 /nfs/dbraw/zinc/87/17/73/1332871773.db2.gz JDMMUHILWOPSIC-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CC1CCCC1 ZINC000947653591 1333210243 /nfs/dbraw/zinc/21/02/43/1333210243.db2.gz PSCKDXQWFCDCAF-CRAIPNDOSA-N 2 0 347.503 3.114 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725714 1333241208 /nfs/dbraw/zinc/24/12/08/1333241208.db2.gz CARPCGUFQMIAOU-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC(C)(C)C ZINC000947776061 1333258740 /nfs/dbraw/zinc/25/87/40/1333258740.db2.gz TVMSRKKGZGOULU-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCC1CCCC1 ZINC000947934532 1333311464 /nfs/dbraw/zinc/31/14/64/1333311464.db2.gz KYMSJOPDUYIQJG-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCC1CCCCC1 ZINC000947934830 1333312419 /nfs/dbraw/zinc/31/24/19/1333312419.db2.gz MPMGSTVYSUVQDP-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC000948067097 1333362004 /nfs/dbraw/zinc/36/20/04/1333362004.db2.gz TWHFGQRUEYRTBQ-LPHOPBHVSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC000948067098 1333362139 /nfs/dbraw/zinc/36/21/39/1333362139.db2.gz TWHFGQRUEYRTBQ-QFBILLFUSA-N 2 0 343.515 3.131 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434973 1333523027 /nfs/dbraw/zinc/52/30/27/1333523027.db2.gz HCRITCONWJENOD-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948439306 1333525495 /nfs/dbraw/zinc/52/54/95/1333525495.db2.gz MHHXEWPYIFIVAI-UYAOXDASSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948552779 1333571883 /nfs/dbraw/zinc/57/18/83/1333571883.db2.gz BLPMVERJZRHNBQ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574818 1333583136 /nfs/dbraw/zinc/58/31/36/1333583136.db2.gz LMJSKWRQQUVTOM-PMACEKPBSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591182 1333587388 /nfs/dbraw/zinc/58/73/88/1333587388.db2.gz RLVVGMYXSQYRQS-GOSISDBHSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948619966 1333599815 /nfs/dbraw/zinc/59/98/15/1333599815.db2.gz ARVWOFYYRKFHJD-GOSISDBHSA-N 2 0 340.471 3.227 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767142 1333669555 /nfs/dbraw/zinc/66/95/55/1333669555.db2.gz QYYPERPITIMHGN-MJGOQNOKSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767556 1333670381 /nfs/dbraw/zinc/67/03/81/1333670381.db2.gz YGBABVMJAKFWKS-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC000948778695 1333675864 /nfs/dbraw/zinc/67/58/64/1333675864.db2.gz BLXVPPVPNXELPL-QUCCMNQESA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829592 1333701855 /nfs/dbraw/zinc/70/18/55/1333701855.db2.gz RBZUJSVRZCUJIG-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948833480 1333703496 /nfs/dbraw/zinc/70/34/96/1333703496.db2.gz UXLLJWVJZQWZPR-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948858642 1333711485 /nfs/dbraw/zinc/71/14/85/1333711485.db2.gz MZMAMTUAXWCKIT-VQTJNVASSA-N 2 0 343.515 3.156 20 0 EGADRP CN(C(=O)Cc1ncc[nH]1)[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000948886562 1333719393 /nfs/dbraw/zinc/71/93/93/1333719393.db2.gz OOKHPPSWUSFUGR-SFHVURJKSA-N 2 0 346.519 3.236 20 0 EGADRP CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC000950501213 1334082623 /nfs/dbraw/zinc/08/26/23/1334082623.db2.gz TZSQZBKEOXPYAT-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000950616187 1334097417 /nfs/dbraw/zinc/09/74/17/1334097417.db2.gz SURYFTWAIKWYGQ-UYAOXDASSA-N 2 0 347.547 3.116 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000950631199 1334099370 /nfs/dbraw/zinc/09/93/70/1334099370.db2.gz GDVSTAYCBMNEOJ-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378684 1335910289 /nfs/dbraw/zinc/91/02/89/1335910289.db2.gz ROYCOYDMAOEDOX-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673822 1336004820 /nfs/dbraw/zinc/00/48/20/1336004820.db2.gz MNFIIEAEZDVMCL-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1=CCCCC1 ZINC000968782018 1336048515 /nfs/dbraw/zinc/04/85/15/1336048515.db2.gz RBBJEWALUWGPSY-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCC2)CC1 ZINC000969100842 1336143287 /nfs/dbraw/zinc/14/32/87/1336143287.db2.gz JLSHRKXLFQQXFW-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CC2)c1 ZINC000969153577 1336164455 /nfs/dbraw/zinc/16/44/55/1336164455.db2.gz KJTUKMWLTQSLJD-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC000969156704 1336166011 /nfs/dbraw/zinc/16/60/11/1336166011.db2.gz ACTRLVGESQTERV-CRAIPNDOSA-N 2 0 348.450 3.208 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969799245 1336248417 /nfs/dbraw/zinc/24/84/17/1336248417.db2.gz WBADVGJPFDYCNX-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970164733 1336287163 /nfs/dbraw/zinc/28/71/63/1336287163.db2.gz WMYNKQSNOAHCJM-JKSUJKDBSA-N 2 0 348.450 3.146 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC3=CCCCC3)C2)CC1 ZINC000970671104 1336331783 /nfs/dbraw/zinc/33/17/83/1336331783.db2.gz WYGMGEPOXHGTQL-QGZVFWFLSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001005475863 1336357884 /nfs/dbraw/zinc/35/78/84/1336357884.db2.gz QCKDPFIZPIRWGY-UHFFFAOYSA-N 2 0 349.544 3.312 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001005883019 1336415618 /nfs/dbraw/zinc/41/56/18/1336415618.db2.gz AGKIAAJRZWOKLO-HKUYNNGSSA-N 2 0 347.547 3.140 20 0 EGADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001006398569 1336499302 /nfs/dbraw/zinc/49/93/02/1336499302.db2.gz DSQCXZIVRRWFKP-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006412689 1336501010 /nfs/dbraw/zinc/50/10/10/1336501010.db2.gz KQBFJXMOTZGJLS-FQEVSTJZSA-N 2 0 343.515 3.156 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CC2CCC2)CC1 ZINC001006439772 1336506368 /nfs/dbraw/zinc/50/63/68/1336506368.db2.gz RKXAVDPVTPHUQZ-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](CC(C)C)CC2)o1 ZINC001006465541 1336512070 /nfs/dbraw/zinc/51/20/70/1336512070.db2.gz WZPWGPVSJPQNAA-UHFFFAOYSA-N 2 0 349.519 3.314 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2=CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007801523 1336703336 /nfs/dbraw/zinc/70/33/36/1336703336.db2.gz RNEBDRHGTSZURS-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001008267644 1336810221 /nfs/dbraw/zinc/81/02/21/1336810221.db2.gz BUKKPZFOLWKCMI-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(CC)CC)C2)C1 ZINC001008276532 1336812115 /nfs/dbraw/zinc/81/21/15/1336812115.db2.gz MKOHZUZQYJJBAJ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001008531860 1336876398 /nfs/dbraw/zinc/87/63/98/1336876398.db2.gz MPOKEIQGMZLDCX-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749980 1336919594 /nfs/dbraw/zinc/91/95/94/1336919594.db2.gz SXCXMFSWCOQLDL-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009143470 1336975931 /nfs/dbraw/zinc/97/59/31/1336975931.db2.gz HMTIIFOHYNWGER-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001009171691 1336981292 /nfs/dbraw/zinc/98/12/92/1336981292.db2.gz WXMAFAHQRRMJMF-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014391234 1337763907 /nfs/dbraw/zinc/76/39/07/1337763907.db2.gz BPIHOMQBPRAYHC-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014415389 1337771602 /nfs/dbraw/zinc/77/16/02/1337771602.db2.gz UGJNKTPWNBFXSG-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014635697 1337854734 /nfs/dbraw/zinc/85/47/34/1337854734.db2.gz XFBMFIFSFVZVTA-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCCC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014728087 1337888482 /nfs/dbraw/zinc/88/84/82/1337888482.db2.gz LBGILVPEXOSZQP-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015056696 1338004734 /nfs/dbraw/zinc/00/47/34/1338004734.db2.gz IEVHGZHJHQENNO-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291876 1338087099 /nfs/dbraw/zinc/08/70/99/1338087099.db2.gz WNSKBUPEGZFDCI-WMZOPIPTSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001015603455 1338203989 /nfs/dbraw/zinc/20/39/89/1338203989.db2.gz TUFHEJMAMVIBKP-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015791144 1338311246 /nfs/dbraw/zinc/31/12/46/1338311246.db2.gz BDUKRUYGWDGZIR-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015791156 1338312246 /nfs/dbraw/zinc/31/22/46/1338312246.db2.gz BHQTYCUPJFQNDY-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001015794857 1338314137 /nfs/dbraw/zinc/31/41/37/1338314137.db2.gz JOPXRDVHMSFOIG-SJLPKXTDSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795744 1338315049 /nfs/dbraw/zinc/31/50/49/1338315049.db2.gz RRKXERRWSIYAJB-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2)[NH+]1CCCCC1 ZINC001016622461 1338668153 /nfs/dbraw/zinc/66/81/53/1338668153.db2.gz WXGFYJWESZXYMG-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663372 1338683849 /nfs/dbraw/zinc/68/38/49/1338683849.db2.gz QEDWXXRMBNOTSZ-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016787485 1338727420 /nfs/dbraw/zinc/72/74/20/1338727420.db2.gz NKEHVOMRFJXWGK-RBUKOAKNSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016793352 1338729135 /nfs/dbraw/zinc/72/91/35/1338729135.db2.gz KKGROIXBIXUXMJ-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016829640 1338740007 /nfs/dbraw/zinc/74/00/07/1338740007.db2.gz MHXNUAGTHQVAEV-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862393 1338751378 /nfs/dbraw/zinc/75/13/78/1338751378.db2.gz XVBLUNMSJYCVNQ-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016924804 1338772254 /nfs/dbraw/zinc/77/22/54/1338772254.db2.gz ZWANMUYTYRFGNM-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCCC3)C2)CC[N@@H+]1C ZINC001017189622 1338936139 /nfs/dbraw/zinc/93/61/39/1338936139.db2.gz GIJBPVJYWOGYAS-IHPCNDPISA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001017246058 1338976746 /nfs/dbraw/zinc/97/67/46/1338976746.db2.gz LOQGOIRUJKPLCZ-RXVVDRJESA-N 2 0 345.531 3.042 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001017262652 1338989488 /nfs/dbraw/zinc/98/94/88/1338989488.db2.gz DKGXWIIENAAGBZ-RBUKOAKNSA-N 2 0 343.515 3.014 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618930 1339378010 /nfs/dbraw/zinc/37/80/10/1339378010.db2.gz VZEFHRGXGCNQRT-RSPOEFSDSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001028088680 1340417538 /nfs/dbraw/zinc/41/75/38/1340417538.db2.gz NQAIJSDGFHBACP-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001028181492 1340471610 /nfs/dbraw/zinc/47/16/10/1340471610.db2.gz UGZSXBUQTWRHJZ-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028647103 1340742109 /nfs/dbraw/zinc/74/21/09/1340742109.db2.gz FIGJGZQXWWGVEG-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692924 1340761133 /nfs/dbraw/zinc/76/11/33/1340761133.db2.gz DRCQSLJOTBEASQ-SJORKVTESA-N 2 0 348.450 3.147 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001028755567 1340791214 /nfs/dbraw/zinc/79/12/14/1340791214.db2.gz RZWDPELUZFCIGJ-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001029100615 1340930001 /nfs/dbraw/zinc/93/00/01/1340930001.db2.gz KPQWLAWLBZIVMM-IEBWSBKVSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029106579 1340931440 /nfs/dbraw/zinc/93/14/40/1340931440.db2.gz RFVZGHZMFZAPRI-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@@H](C)[NH2+]CC3CCC3)CC2)C1 ZINC001029133606 1340939228 /nfs/dbraw/zinc/93/92/28/1340939228.db2.gz VNUOLRFATGPKEM-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001029139286 1340940510 /nfs/dbraw/zinc/94/05/10/1340940510.db2.gz BYADVKWLGXXZOI-FXAWDEMLSA-N 2 0 349.563 3.290 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029345367 1340974848 /nfs/dbraw/zinc/97/48/48/1340974848.db2.gz UMMLFSOWEKUBDA-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001029436750 1340990200 /nfs/dbraw/zinc/99/02/00/1340990200.db2.gz DUEFMKNXODMJNO-GBESFXJTSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001029477535 1340998266 /nfs/dbraw/zinc/99/82/66/1340998266.db2.gz HQWVQSQKJJGPTE-FFGOWVMKSA-N 2 0 343.515 3.071 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029596111 1341018521 /nfs/dbraw/zinc/01/85/21/1341018521.db2.gz ZTQJEBVKIFLSTD-LFGUQSLTSA-N 2 0 345.531 3.035 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029751558 1341063778 /nfs/dbraw/zinc/06/37/78/1341063778.db2.gz XHNKJJFEGLFNEU-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001029753246 1341064232 /nfs/dbraw/zinc/06/42/32/1341064232.db2.gz BHUCUZGPGBQVHI-ROUUACIJSA-N 2 0 343.515 3.012 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029758842 1341064711 /nfs/dbraw/zinc/06/47/11/1341064711.db2.gz GRGANAUYWUFZOS-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029774211 1341069914 /nfs/dbraw/zinc/06/99/14/1341069914.db2.gz KVCXPDSCLXZSQA-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)C1 ZINC001030010465 1341157113 /nfs/dbraw/zinc/15/71/13/1341157113.db2.gz ROCHLLGMNAMARS-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1)[NH+]1CCCCC1 ZINC001030014964 1341158796 /nfs/dbraw/zinc/15/87/96/1341158796.db2.gz XFVXQHDVFPTGIK-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001030032216 1341162153 /nfs/dbraw/zinc/16/21/53/1341162153.db2.gz GMAGONBGIYIZTQ-CMKODMSKSA-N 2 0 343.515 3.039 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031715105 1341392113 /nfs/dbraw/zinc/39/21/13/1341392113.db2.gz PWFFIFAVXZVIDE-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001032119135 1341458720 /nfs/dbraw/zinc/45/87/20/1341458720.db2.gz GTMHOQBNIFDGMD-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C)[NH+]1CCCCC1 ZINC001032803668 1341619457 /nfs/dbraw/zinc/61/94/57/1341619457.db2.gz ICMQZZQNEMIPEC-FHWLQOOXSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033146436 1341739386 /nfs/dbraw/zinc/73/93/86/1341739386.db2.gz PEUJONRPQOSHPU-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033353310 1341793398 /nfs/dbraw/zinc/79/33/98/1341793398.db2.gz GHAOIMLHZRBKEJ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365134 1341797102 /nfs/dbraw/zinc/79/71/02/1341797102.db2.gz LIFFCENVDVSCPD-OALUTQOASA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365135 1341797284 /nfs/dbraw/zinc/79/72/84/1341797284.db2.gz LIFFCENVDVSCPD-RBUKOAKNSA-N 2 0 335.536 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472179 1341839934 /nfs/dbraw/zinc/83/99/34/1341839934.db2.gz SMOXEIRSTXBXSQ-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033511314 1341853203 /nfs/dbraw/zinc/85/32/03/1341853203.db2.gz ZSCYHMGNUZANNY-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075459135 1356392692 /nfs/dbraw/zinc/39/26/92/1356392692.db2.gz ZSSFLCIOBBCXEQ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034132255 1342260966 /nfs/dbraw/zinc/26/09/66/1342260966.db2.gz QJJAINGXSYIOFF-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034203867 1342313970 /nfs/dbraw/zinc/31/39/70/1342313970.db2.gz HCHATNHDZBLNDF-MSOLQXFVSA-N 2 0 349.544 3.092 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285186 1342373235 /nfs/dbraw/zinc/37/32/35/1342373235.db2.gz QXKJPNQOLQDXQD-WBVHZDCISA-N 2 0 342.487 3.273 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034361791 1342433813 /nfs/dbraw/zinc/43/38/13/1342433813.db2.gz SCFRMZNCEVGVJH-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034395709 1342463871 /nfs/dbraw/zinc/46/38/71/1342463871.db2.gz BWMHWGWNRFNMLJ-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034395175 1342464067 /nfs/dbraw/zinc/46/40/67/1342464067.db2.gz VEWNGPRUTWFWSX-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cs1 ZINC001034400909 1342466128 /nfs/dbraw/zinc/46/61/28/1342466128.db2.gz YOTULWQPJQMZHZ-QAPCUYQASA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537570 1342595584 /nfs/dbraw/zinc/59/55/84/1342595584.db2.gz MOHMFRAVMVBQCM-FQEVSTJZSA-N 2 0 343.515 3.299 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001034607117 1342645247 /nfs/dbraw/zinc/64/52/47/1342645247.db2.gz LDRDYKWEUYXEDE-WTGUMLROSA-N 2 0 343.515 3.249 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034646808 1342669630 /nfs/dbraw/zinc/66/96/30/1342669630.db2.gz VWUVDLICYFMVAY-UFYCRDLUSA-N 2 0 349.563 3.457 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034712071 1342708228 /nfs/dbraw/zinc/70/82/28/1342708228.db2.gz OLFRDEKERWZYTH-PWKSQPCKSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034737954 1342729022 /nfs/dbraw/zinc/72/90/22/1342729022.db2.gz PDYJOWIYNZPGFL-WDSOQIARSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034738649 1342729795 /nfs/dbraw/zinc/72/97/95/1342729795.db2.gz VIBUBVZTSYIKDW-FRYIKTPZSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034748660 1342736745 /nfs/dbraw/zinc/73/67/45/1342736745.db2.gz ACVCAPRFIPLBAG-WFAGLZIHSA-N 2 0 349.563 3.312 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001034973792 1342859394 /nfs/dbraw/zinc/85/93/94/1342859394.db2.gz CUIPGBRVLHMAPO-NLWGTHIKSA-N 2 0 345.531 3.285 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001034974219 1342860674 /nfs/dbraw/zinc/86/06/74/1342860674.db2.gz YUXRETFUVZBFDX-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001035011184 1342875136 /nfs/dbraw/zinc/87/51/36/1342875136.db2.gz PQZHMRDQRNCORG-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001035014161 1342876730 /nfs/dbraw/zinc/87/67/30/1342876730.db2.gz RBCKCQCXFOKHRB-ZTFGCOKTSA-N 2 0 349.906 3.076 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001035036678 1342890315 /nfs/dbraw/zinc/89/03/15/1342890315.db2.gz QENJUUISTNQBKG-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1)C1CC1 ZINC001035193591 1343007975 /nfs/dbraw/zinc/00/79/75/1343007975.db2.gz HODXLEUFZIUBKR-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035210267 1343028656 /nfs/dbraw/zinc/02/86/56/1343028656.db2.gz JXBJNCVMDWQMHM-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236906 1343060354 /nfs/dbraw/zinc/06/03/54/1343060354.db2.gz FBWIBPXNEULDRD-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035716932 1343149725 /nfs/dbraw/zinc/14/97/25/1343149725.db2.gz BEDIMSJOUABECO-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035779889 1343190893 /nfs/dbraw/zinc/19/08/93/1343190893.db2.gz WUQLJEAXAZNFDX-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810212 1343210100 /nfs/dbraw/zinc/21/01/00/1343210100.db2.gz JSNFHFGHCHUQFF-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036137510 1343322874 /nfs/dbraw/zinc/32/28/74/1343322874.db2.gz NJXSILWZTLXTRJ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036414520 1343472715 /nfs/dbraw/zinc/47/27/15/1343472715.db2.gz OZXJDONRSUACJI-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036599406 1343570430 /nfs/dbraw/zinc/57/04/30/1343570430.db2.gz JZLXYFZTFOVJGT-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731721 1343660663 /nfs/dbraw/zinc/66/06/63/1343660663.db2.gz YGHHSEUIHKKLED-RDJZCZTQSA-N 2 0 349.544 3.002 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@@H]21 ZINC001036905842 1343853081 /nfs/dbraw/zinc/85/30/81/1343853081.db2.gz PZXVHRIZOYYLJW-WMZOPIPTSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001037213718 1344046593 /nfs/dbraw/zinc/04/65/93/1344046593.db2.gz PZGKTMHZDVICAT-ZBFHGGJFSA-N 2 0 337.533 3.096 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CC2)cc1 ZINC001037236787 1344060205 /nfs/dbraw/zinc/06/02/05/1344060205.db2.gz SVIYDACUXVICIE-UXHICEINSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037858090 1344143768 /nfs/dbraw/zinc/14/37/68/1344143768.db2.gz DRVCQXUPQWGLMW-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037907933 1344171870 /nfs/dbraw/zinc/17/18/70/1344171870.db2.gz XEZLWOWZPKQVLX-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1[NH2+]CC(C)C ZINC001037940509 1344193414 /nfs/dbraw/zinc/19/34/14/1344193414.db2.gz MKRWLKUJLLQXNH-ICSRJNTNSA-N 2 0 345.531 3.235 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1CC ZINC001037989666 1344223550 /nfs/dbraw/zinc/22/35/50/1344223550.db2.gz GXNWFIQAPMOTJI-FUHWJXTLSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038238195 1344338410 /nfs/dbraw/zinc/33/84/10/1344338410.db2.gz GELFNAXEQKLXSB-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038339867 1344387226 /nfs/dbraw/zinc/38/72/26/1344387226.db2.gz KDGLBIITMBJSAK-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462442 1344434479 /nfs/dbraw/zinc/43/44/79/1344434479.db2.gz LRNXJBKNTUYLKC-SJLPKXTDSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038780500 1344581229 /nfs/dbraw/zinc/58/12/29/1344581229.db2.gz LKQRMULBSFVBBD-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCCC2)CC1 ZINC001038862399 1344617588 /nfs/dbraw/zinc/61/75/88/1344617588.db2.gz HXTKPGAWVCRWRC-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001039047266 1344732967 /nfs/dbraw/zinc/73/29/67/1344732967.db2.gz CMESKBRBMWUFGE-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039166352 1344852252 /nfs/dbraw/zinc/85/22/52/1344852252.db2.gz VIAMDDULMXRPKG-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039183162 1344881213 /nfs/dbraw/zinc/88/12/13/1344881213.db2.gz WYIKNBUHIHBMJA-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039289646 1344998486 /nfs/dbraw/zinc/99/84/86/1344998486.db2.gz WMICCWBTNZHYDZ-ZNBHLAFESA-N 2 0 347.547 3.305 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001039305052 1345005110 /nfs/dbraw/zinc/00/51/10/1345005110.db2.gz QXROUGRMFIKRKK-YQQQUEKLSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCC2CCC2)CCC1 ZINC001039644107 1345152315 /nfs/dbraw/zinc/15/23/15/1345152315.db2.gz NNSKUWIHCWZXIO-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240045 1345390010 /nfs/dbraw/zinc/39/00/10/1345390010.db2.gz CFCZCCVTNSXJSX-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040240792 1345390819 /nfs/dbraw/zinc/39/08/19/1345390819.db2.gz JNKSMLWPHDJDIS-CTNGQTDRSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243779 1345393714 /nfs/dbraw/zinc/39/37/14/1345393714.db2.gz AXGKITLOFLSSAB-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270363 1345405370 /nfs/dbraw/zinc/40/53/70/1345405370.db2.gz INAIKJSVGGUBIX-OAQYLSRUSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040453691 1345507911 /nfs/dbraw/zinc/50/79/11/1345507911.db2.gz QNGKTUBLXBBHQK-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545417 1345539834 /nfs/dbraw/zinc/53/98/34/1345539834.db2.gz PRDAJFSLSLKVJY-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882329 1345593630 /nfs/dbraw/zinc/59/36/30/1345593630.db2.gz CSISOYVSWUSHIO-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041373873 1345711743 /nfs/dbraw/zinc/71/17/43/1345711743.db2.gz YPJXNPMYWDREKD-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424584 1345725519 /nfs/dbraw/zinc/72/55/19/1345725519.db2.gz LZNMRWVWOQBKIO-NRFANRHFSA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001041757395 1345840964 /nfs/dbraw/zinc/84/09/64/1345840964.db2.gz UNCIZLACXRXBDH-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063374 1345933407 /nfs/dbraw/zinc/93/34/07/1345933407.db2.gz VSPJMIQIWFYLSS-RBUKOAKNSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042373940 1346062917 /nfs/dbraw/zinc/06/29/17/1346062917.db2.gz FKWGRLDYYCDTTJ-SJLPKXTDSA-N 2 0 347.503 3.068 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001044034163 1346237126 /nfs/dbraw/zinc/23/71/26/1346237126.db2.gz GIKBEXFAIKFQHS-UYAOXDASSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044330367 1346300946 /nfs/dbraw/zinc/30/09/46/1346300946.db2.gz ZZLFQYFEBVEVFT-IAGOWNOFSA-N 2 0 349.563 3.218 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2C[NH+](CC3CCCC3)C2)o1 ZINC001044358345 1346309543 /nfs/dbraw/zinc/30/95/43/1346309543.db2.gz AOSLMGOTEYUFBC-UHFFFAOYSA-N 2 0 347.503 3.068 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C[C@H]2C)CC1 ZINC001044794325 1346429461 /nfs/dbraw/zinc/42/94/61/1346429461.db2.gz VMWYYUXEHGUTLP-UYAOXDASSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045068774 1346489393 /nfs/dbraw/zinc/48/93/93/1346489393.db2.gz QINOCNFQKKWASV-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045100067 1346495183 /nfs/dbraw/zinc/49/51/83/1346495183.db2.gz RZBQHVOVYKIWNF-SFHVURJKSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045322576 1346559755 /nfs/dbraw/zinc/55/97/55/1346559755.db2.gz QHSHNLOYUBTHGM-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441628 1346594631 /nfs/dbraw/zinc/59/46/31/1346594631.db2.gz IHOYGROFMGBDEY-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC3CC(C)C3)CC2)CC1 ZINC001045609216 1346646659 /nfs/dbraw/zinc/64/66/59/1346646659.db2.gz WMROFXVBHVBCQZ-UHFFFAOYSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045620816 1346650107 /nfs/dbraw/zinc/65/01/07/1346650107.db2.gz VFYMGIQAYGWNSM-ZWKOTPCHSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045646462 1346657963 /nfs/dbraw/zinc/65/79/63/1346657963.db2.gz JJSZLLAAMSEUMK-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045937717 1346773871 /nfs/dbraw/zinc/77/38/71/1346773871.db2.gz INIXDCHUTFWZMA-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942965 1346778228 /nfs/dbraw/zinc/77/82/28/1346778228.db2.gz DKZWEOGACCOSAD-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001045949745 1346785034 /nfs/dbraw/zinc/78/50/34/1346785034.db2.gz ONMZFDVRQADTEC-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951010 1346785983 /nfs/dbraw/zinc/78/59/83/1346785983.db2.gz RJXPJCMNETZJOE-HXUWFJFHSA-N 2 0 347.547 3.120 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972564 1346808847 /nfs/dbraw/zinc/80/88/47/1346808847.db2.gz DSXSKEOASMAEHB-TZIWHRDSSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984758 1346825221 /nfs/dbraw/zinc/82/52/21/1346825221.db2.gz IFUHARCGYVZLPA-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984757 1346825376 /nfs/dbraw/zinc/82/53/76/1346825376.db2.gz IFUHARCGYVZLPA-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318369 1346932972 /nfs/dbraw/zinc/93/29/72/1346932972.db2.gz KUJDOQKAJAHRAT-WIYYLYMNSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@]2(C)CC[N@H+](CCC(C)(C)C)C2)c1 ZINC001046852960 1347130349 /nfs/dbraw/zinc/13/03/49/1347130349.db2.gz RIHGQMPQFARKHG-OAQYLSRUSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047240950 1347267065 /nfs/dbraw/zinc/26/70/65/1347267065.db2.gz LYMCNXBYNXJZDA-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047243732 1347269177 /nfs/dbraw/zinc/26/91/77/1347269177.db2.gz OBPJGNPEGBAEDC-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079687170 1357348214 /nfs/dbraw/zinc/34/82/14/1357348214.db2.gz KFKGYFKKLRDGBS-MISYRCLQSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047843683 1347386842 /nfs/dbraw/zinc/38/68/42/1347386842.db2.gz JSOCWTNRVXDHOR-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079723697 1357357591 /nfs/dbraw/zinc/35/75/91/1357357591.db2.gz FPVBQBIHIZFLFS-HNBVOPMISA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048524822 1347577464 /nfs/dbraw/zinc/57/74/64/1347577464.db2.gz ANBALUVDHWKAFD-RDGPPVDQSA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001048525193 1347577542 /nfs/dbraw/zinc/57/75/42/1347577542.db2.gz ONVCMCYODZDNQU-XEYPJELSSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556949 1347591654 /nfs/dbraw/zinc/59/16/54/1347591654.db2.gz ZDMLWLUWNSYCLM-FSGKZVOOSA-N 2 0 349.563 3.122 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCC2CCC2)CCC1 ZINC001049516762 1347887606 /nfs/dbraw/zinc/88/76/06/1347887606.db2.gz FSHAVOMQYJQOGP-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC2CCCC2)CCC1 ZINC001049517670 1347888344 /nfs/dbraw/zinc/88/83/44/1347888344.db2.gz LUQXJRAXESVTFW-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049520812 1347889663 /nfs/dbraw/zinc/88/96/63/1347889663.db2.gz DYWUYCQBYSWYJJ-SLFFLAALSA-N 2 0 349.563 3.361 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049564702 1347912222 /nfs/dbraw/zinc/91/22/22/1347912222.db2.gz PLFFLNHNWBDEST-RTBURBONSA-N 2 0 347.547 3.115 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049711308 1347986118 /nfs/dbraw/zinc/98/61/18/1347986118.db2.gz LXFODVMGRSRKIJ-CEXWTWQISA-N 2 0 337.552 3.074 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049713326 1347987979 /nfs/dbraw/zinc/98/79/79/1347987979.db2.gz XURMQOPRIRGFCA-GUDVDZBRSA-N 2 0 349.563 3.074 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049725180 1347991590 /nfs/dbraw/zinc/99/15/90/1347991590.db2.gz VSJKHPNRIXJUSD-YZGWKJHDSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764653 1348009383 /nfs/dbraw/zinc/00/93/83/1348009383.db2.gz DVMPEZHVMBOZSD-IPMKNSEASA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768391 1348011438 /nfs/dbraw/zinc/01/14/38/1348011438.db2.gz WCRSKUATQBTIRQ-GUDVDZBRSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821177 1348038004 /nfs/dbraw/zinc/03/80/04/1348038004.db2.gz UFBNJMGCUFUALJ-VQTJNVASSA-N 2 0 347.547 3.138 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049912857 1348108252 /nfs/dbraw/zinc/10/82/52/1348108252.db2.gz PHQIVNDSOHYXOS-PMACEKPBSA-N 2 0 343.515 3.227 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919231 1348112004 /nfs/dbraw/zinc/11/20/04/1348112004.db2.gz OBIICRWHTVZVPH-WOJBJXKFSA-N 2 0 343.515 3.227 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)[NH+](C)C ZINC001050076263 1348174120 /nfs/dbraw/zinc/17/41/20/1348174120.db2.gz XJGYJTKXPGQZTH-XUVXKRRUSA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)CC ZINC001050253262 1348219222 /nfs/dbraw/zinc/21/92/22/1348219222.db2.gz GRZSWUKALLOQHS-HXUWFJFHSA-N 2 0 345.531 3.409 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001050253656 1348219548 /nfs/dbraw/zinc/21/95/48/1348219548.db2.gz MSIDIMABPFCLSS-PXNSSMCTSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001050272102 1348224616 /nfs/dbraw/zinc/22/46/16/1348224616.db2.gz CNJQNSCDZVYRMW-UZLBHIALSA-N 2 0 343.515 3.095 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)CC1 ZINC001050362547 1348238745 /nfs/dbraw/zinc/23/87/45/1348238745.db2.gz ORPAZEPHQVXIOK-KESTWPANSA-N 2 0 349.563 3.173 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)C1 ZINC001050366525 1348240165 /nfs/dbraw/zinc/24/01/65/1348240165.db2.gz UISBZDUVVHNJCI-WGSAOQKQSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CCCCCC1)CC2)[NH+](C)C ZINC001050560753 1348289297 /nfs/dbraw/zinc/28/92/97/1348289297.db2.gz GHQIDBHQAFCZQJ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)CC2)[NH+](C)C ZINC001050563505 1348290441 /nfs/dbraw/zinc/29/04/41/1348290441.db2.gz LBKCYXUXIIKYBN-IEBWSBKVSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001079849512 1357400756 /nfs/dbraw/zinc/40/07/56/1357400756.db2.gz UARPZIKGIFFMEC-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050691519 1348328612 /nfs/dbraw/zinc/32/86/12/1348328612.db2.gz YADINHCXDLZSIK-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050765451 1348352191 /nfs/dbraw/zinc/35/21/91/1348352191.db2.gz QMGMUPKQMQXOJA-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)CC[N@@H+]1C ZINC001052392353 1348538992 /nfs/dbraw/zinc/53/89/92/1348538992.db2.gz WPNLXFUNFOKPIX-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052498675 1348559496 /nfs/dbraw/zinc/55/94/96/1348559496.db2.gz JFFHMTUUEXANDW-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052499567 1348560162 /nfs/dbraw/zinc/56/01/62/1348560162.db2.gz YHECPJJACGBOCL-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCC(C)C)CC2)C1 ZINC001052651923 1348614302 /nfs/dbraw/zinc/61/43/02/1348614302.db2.gz PBRMXIUECAYEGX-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052712515 1348644945 /nfs/dbraw/zinc/64/49/45/1348644945.db2.gz JOZQYBHJUNAYDR-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717765 1348646796 /nfs/dbraw/zinc/64/67/96/1348646796.db2.gz ZFOXSDOWWNHRRU-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766662 1348671087 /nfs/dbraw/zinc/67/10/87/1348671087.db2.gz KCJKLUDMWRBNSY-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052870974 1348711372 /nfs/dbraw/zinc/71/13/72/1348711372.db2.gz AFIREXIFMDBRNV-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052872020 1348712366 /nfs/dbraw/zinc/71/23/66/1348712366.db2.gz ULEPMQSLTBVJOX-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)CC2)c1 ZINC001052954129 1348768439 /nfs/dbraw/zinc/76/84/39/1348768439.db2.gz LKYLCRNJTJAARY-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](C/C=C\Cl)CC2)c1 ZINC001052954156 1348768622 /nfs/dbraw/zinc/76/86/22/1348768622.db2.gz LVDDZWQJIMYPCA-CXKPLTABSA-N 2 0 349.906 3.085 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC001052959737 1348773056 /nfs/dbraw/zinc/77/30/56/1348773056.db2.gz XETNYAIZTXHEIR-ACAQERRYSA-N 2 0 349.906 3.085 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096767 1348926945 /nfs/dbraw/zinc/92/69/45/1348926945.db2.gz ZIOSRBXUDIDRDG-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](CC)C3)C2)o1 ZINC001054246751 1349241926 /nfs/dbraw/zinc/24/19/26/1349241926.db2.gz INGQHGPCIWZFGS-FQEVSTJZSA-N 2 0 347.503 3.069 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001054648138 1349427865 /nfs/dbraw/zinc/42/78/65/1349427865.db2.gz HYBABXIGUXIFTG-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001054968120 1349530775 /nfs/dbraw/zinc/53/07/75/1349530775.db2.gz CAIIWRRFYZBVLC-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC001080700129 1357723496 /nfs/dbraw/zinc/72/34/96/1357723496.db2.gz NHBBKXFMUZXYNY-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985184 1358936911 /nfs/dbraw/zinc/93/69/11/1358936911.db2.gz VJBVCFDQRLJIOS-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@@H+]1CCC(C)(C)C ZINC001071606016 1354792476 /nfs/dbraw/zinc/79/24/76/1354792476.db2.gz FJMNTGQGRWSJHG-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071628181 1354812096 /nfs/dbraw/zinc/81/20/96/1354812096.db2.gz NYTNFVIZPOTYBL-NVXWUHKLSA-N 2 0 340.471 3.192 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CC1CCCC1 ZINC001071682965 1354850342 /nfs/dbraw/zinc/85/03/42/1354850342.db2.gz VIHQVBUSBFZFHB-QAPCUYQASA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCC(C)(C)C ZINC001071821059 1354960590 /nfs/dbraw/zinc/96/05/90/1354960590.db2.gz ITGYNXAUTVRFMK-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3=CCCCC3)C2)CC1 ZINC001071920481 1355025956 /nfs/dbraw/zinc/02/59/56/1355025956.db2.gz SCOFZWFQDLZQHG-QUCCMNQESA-N 2 0 347.547 3.188 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC3CCCC3)C2)CC1 ZINC001071930350 1355030177 /nfs/dbraw/zinc/03/01/77/1355030177.db2.gz CXBXJHHTRAQSCZ-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953778 1355039379 /nfs/dbraw/zinc/03/93/79/1355039379.db2.gz FMQOINZQACMDJP-PKOBYXMFSA-N 2 0 337.552 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCC2)C1 ZINC001074056051 1356059306 /nfs/dbraw/zinc/05/93/06/1356059306.db2.gz WSXXXTOOVRAHOP-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCCC2)C1 ZINC001074064766 1356062638 /nfs/dbraw/zinc/06/26/38/1356062638.db2.gz MNMVKWVJHUWXMS-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC)o1 ZINC001074103119 1356086155 /nfs/dbraw/zinc/08/61/55/1356086155.db2.gz SHEONGPMDMEPFK-MRXNPFEDSA-N 2 0 335.492 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099315122 1363745518 /nfs/dbraw/zinc/74/55/18/1363745518.db2.gz BBFUMDORQNUYDN-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)c1ccccc1 ZINC001082561778 1358057232 /nfs/dbraw/zinc/05/72/32/1358057232.db2.gz PYPUALHOOPHAAD-NSISKUIASA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC001082681754 1358071537 /nfs/dbraw/zinc/07/15/37/1358071537.db2.gz QGSOHLHPSWJDGE-ZIFCJYIRSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085352294 1358475923 /nfs/dbraw/zinc/47/59/23/1358475923.db2.gz AMBYYAPDJHCDGB-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085352364 1358475958 /nfs/dbraw/zinc/47/59/58/1358475958.db2.gz DEWMHUHEIHGJQX-QRVBRYPASA-N 2 0 335.536 3.066 20 0 EGADRP CC1(C)CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001085423475 1358495582 /nfs/dbraw/zinc/49/55/82/1358495582.db2.gz RTYWFIRQVXBKER-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001323336050 1387341591 /nfs/dbraw/zinc/34/15/91/1387341591.db2.gz PBBLWSWRRCCHGK-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085593138 1358620628 /nfs/dbraw/zinc/62/06/28/1358620628.db2.gz CGFQPSMYLIMFHG-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCCC2)CC[N@@H+]1C ZINC001085604084 1358627426 /nfs/dbraw/zinc/62/74/26/1358627426.db2.gz WVFYTRNNLLRXPI-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085629316 1358646761 /nfs/dbraw/zinc/64/67/61/1358646761.db2.gz QYEFCWCCXTUDPW-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1CCCCCC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675423 1358679703 /nfs/dbraw/zinc/67/97/03/1358679703.db2.gz RZPNCGJRLVTHCG-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1=CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695837 1358691749 /nfs/dbraw/zinc/69/17/49/1358691749.db2.gz SNLRTYDJNMJRFB-IBGZPJMESA-N 2 0 345.531 3.038 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725309 1358714162 /nfs/dbraw/zinc/71/41/62/1358714162.db2.gz SEKYINFNWCMEBH-JXFKEZNVSA-N 2 0 348.450 3.242 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085855890 1358822202 /nfs/dbraw/zinc/82/22/02/1358822202.db2.gz LZHIQLFOVNFHCJ-RBUKOAKNSA-N 2 0 349.563 3.218 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183870042 1387364165 /nfs/dbraw/zinc/36/41/65/1387364165.db2.gz YTCJSMGHTPZDRC-PWBPZBFBSA-N 2 0 335.536 3.044 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)c1ccccc1C[NH+](C)C ZINC001085987067 1358938906 /nfs/dbraw/zinc/93/89/06/1358938906.db2.gz SYSNGXINZOROHU-IBGZPJMESA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086085077 1358991757 /nfs/dbraw/zinc/99/17/57/1358991757.db2.gz RCIJUCAMSHNHIU-ZCNNSNEGSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)[C@H]1CN(C)CCN1C ZINC001183920047 1387370656 /nfs/dbraw/zinc/37/06/56/1387370656.db2.gz UDTGTZWQNXSDMP-MJUUVYJYSA-N 2 0 329.532 3.327 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001086122779 1359002929 /nfs/dbraw/zinc/00/29/29/1359002929.db2.gz YFHLATGNBKQEMJ-JYBIWHBTSA-N 2 0 343.515 3.025 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001086221682 1359031632 /nfs/dbraw/zinc/03/16/32/1359031632.db2.gz FMVYAJQJJNDVOM-IYWMVGAKSA-N 2 0 347.547 3.068 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CC3)C2)o1 ZINC001086282298 1359054749 /nfs/dbraw/zinc/05/47/49/1359054749.db2.gz FEJZEMSZGRKOTD-CALCHBBNSA-N 2 0 347.503 3.020 20 0 EGADRP Cc1cccc(C[NH2+]C2(CNC(=O)c3ccc4c[nH+]cn4c3C)CC2)c1 ZINC001323480095 1387374893 /nfs/dbraw/zinc/37/48/93/1387374893.db2.gz QDFZEHPBSFJGBF-UHFFFAOYSA-N 2 0 348.450 3.003 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086364479 1359078656 /nfs/dbraw/zinc/07/86/56/1359078656.db2.gz GSGXMBDJKHNYJN-LFGUQSLTSA-N 2 0 343.515 3.105 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001086387650 1359084523 /nfs/dbraw/zinc/08/45/23/1359084523.db2.gz NPRFEDJDHWQZON-QWFCFKBJSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001086399731 1359087623 /nfs/dbraw/zinc/08/76/23/1359087623.db2.gz KMEFKFOFDRQYFF-UAFMIMERSA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086558652 1359145034 /nfs/dbraw/zinc/14/50/34/1359145034.db2.gz GUSCUJYSEOQHTB-ZULIPRJHSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927402 1359252595 /nfs/dbraw/zinc/25/25/95/1359252595.db2.gz AMCIBMWDNAMRSH-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CCCC1)CC2)[NH+](C)C ZINC001086943235 1359264710 /nfs/dbraw/zinc/26/47/10/1359264710.db2.gz PBUZMGPXRNNMDS-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001323555486 1387387073 /nfs/dbraw/zinc/38/70/73/1387387073.db2.gz RACWWJRMBCBIFT-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306512 1359392886 /nfs/dbraw/zinc/39/28/86/1359392886.db2.gz JWRUFRSMBOCTBQ-HOJAQTOUSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1CC ZINC001087593571 1359547295 /nfs/dbraw/zinc/54/72/95/1359547295.db2.gz LTNILIZXAPJOEQ-XUVXKRRUSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC001087711658 1359604200 /nfs/dbraw/zinc/60/42/00/1359604200.db2.gz QGHLIOIGHQYYFQ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCCC1CCCC1 ZINC001087796894 1359650916 /nfs/dbraw/zinc/65/09/16/1359650916.db2.gz QDMAZQLMLHLODG-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109741 1359759179 /nfs/dbraw/zinc/75/91/79/1359759179.db2.gz WGYZJPYHEKUKLA-AABGKKOBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088323759 1359830620 /nfs/dbraw/zinc/83/06/20/1359830620.db2.gz YDHSJLJOJRZEDN-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001088380730 1359863913 /nfs/dbraw/zinc/86/39/13/1359863913.db2.gz NXYICVKLGAJGBG-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088394544 1359870890 /nfs/dbraw/zinc/87/08/90/1359870890.db2.gz JBSFNWUQFKIMMC-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CC3CCC3)C2)CC1 ZINC001088408089 1359879844 /nfs/dbraw/zinc/87/98/44/1359879844.db2.gz MUGHUJRHDQCYSS-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001088426099 1359894232 /nfs/dbraw/zinc/89/42/32/1359894232.db2.gz LULBJGXVMNOPCX-FQEVSTJZSA-N 2 0 347.547 3.334 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430120 1359897334 /nfs/dbraw/zinc/89/73/34/1359897334.db2.gz IFQJLSMXKSBJFA-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622093 1359993813 /nfs/dbraw/zinc/99/38/13/1359993813.db2.gz HCXFGGLSXDKUOE-LSTHTHJFSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897686 1360096988 /nfs/dbraw/zinc/09/69/88/1360096988.db2.gz SQKOJYGKKAPIOB-SQNIBIBYSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897324 1360097001 /nfs/dbraw/zinc/09/70/01/1360097001.db2.gz DZEXETICKANAQR-HBFSDRIKSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2=CCCCC2)C1 ZINC001089227407 1360268454 /nfs/dbraw/zinc/26/84/54/1360268454.db2.gz UGXYJEPSIZBQPJ-QUCCMNQESA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC001089227116 1360268771 /nfs/dbraw/zinc/26/87/71/1360268771.db2.gz QGRFTJNZDDQUFM-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1)[NH+]1CCCCCC1 ZINC001089236053 1360274656 /nfs/dbraw/zinc/27/46/56/1360274656.db2.gz HQHJCPJDCYSBGL-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446639 1360435603 /nfs/dbraw/zinc/43/56/03/1360435603.db2.gz YNBNLHHDFTZHLM-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477596 1360460208 /nfs/dbraw/zinc/46/02/08/1360460208.db2.gz OAINEUTYEQFZRQ-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001089616660 1360537061 /nfs/dbraw/zinc/53/70/61/1360537061.db2.gz MVYMPRSRFMMHQD-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089734862 1360639591 /nfs/dbraw/zinc/63/95/91/1360639591.db2.gz ZFRWZZZBKKOAGT-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091267148 1361026311 /nfs/dbraw/zinc/02/63/11/1361026311.db2.gz AVBVZCKNAKJQFR-MHJFOBGBSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CCCCC1 ZINC001184585688 1387497832 /nfs/dbraw/zinc/49/78/32/1387497832.db2.gz SCCTXVBZAKUREU-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736131 1361449685 /nfs/dbraw/zinc/44/96/85/1361449685.db2.gz MHKNPSRIWVPZOS-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@@H]2[N@@H+](C(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093373056 1361582589 /nfs/dbraw/zinc/58/25/89/1361582589.db2.gz IQPCEOZRONVGDI-OALUTQOASA-N 2 0 349.563 3.074 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC001324081725 1387533749 /nfs/dbraw/zinc/53/37/49/1387533749.db2.gz PPTOVTWNCFMTNJ-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095863376 1362258134 /nfs/dbraw/zinc/25/81/34/1362258134.db2.gz KXSMYMAFBNVWJP-IKGGRYGDSA-N 2 0 335.536 3.019 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001096314533 1362461525 /nfs/dbraw/zinc/46/15/25/1362461525.db2.gz MDRCBGVHLPTPQH-YDZRNGNQSA-N 2 0 335.536 3.019 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001096348438 1362469771 /nfs/dbraw/zinc/46/97/71/1362469771.db2.gz OQWHNKADJMJCKY-ZRNYENFQSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097064134 1362830044 /nfs/dbraw/zinc/83/00/44/1362830044.db2.gz ZTFQAQLWDJRGJY-ZJPYXAASSA-N 2 0 335.536 3.017 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)CC[N@@H+]1C ZINC001097100929 1362843146 /nfs/dbraw/zinc/84/31/46/1362843146.db2.gz BWMPLAZVTGUAFG-RUGGUXRKSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)CC[N@@H+]1C ZINC001097101189 1362843252 /nfs/dbraw/zinc/84/32/52/1362843252.db2.gz HTQISHXDBNYTDO-RUGGUXRKSA-N 2 0 347.547 3.019 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001098219467 1363258782 /nfs/dbraw/zinc/25/87/82/1363258782.db2.gz GGFFGCIRKJVXBV-NMLBUPMWSA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098822022 1363482797 /nfs/dbraw/zinc/48/27/97/1363482797.db2.gz VUTXNWVEGJSLCH-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1)C1CCCC1 ZINC001098822274 1363482832 /nfs/dbraw/zinc/48/28/32/1363482832.db2.gz YEYFTHMUKAKTNM-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)C1CCCC1 ZINC001098826694 1363484326 /nfs/dbraw/zinc/48/43/26/1363484326.db2.gz NLODKOXSNLAYPD-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976534 1363551285 /nfs/dbraw/zinc/55/12/85/1363551285.db2.gz UZCGEMNRBOSTEE-IBQUMJASSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198689 1363687730 /nfs/dbraw/zinc/68/77/30/1363687730.db2.gz DBVGWSPINPVMLR-LKGOPFMKSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099200243 1363689616 /nfs/dbraw/zinc/68/96/16/1363689616.db2.gz XOSUHFDQKIBVNF-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099252310 1363714631 /nfs/dbraw/zinc/71/46/31/1363714631.db2.gz UMNBORJHOWRJOP-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099276415 1363727568 /nfs/dbraw/zinc/72/75/68/1363727568.db2.gz SIAGKLLMAAFSSD-QZEKMECESA-N 2 0 337.552 3.291 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099309935 1363742382 /nfs/dbraw/zinc/74/23/82/1363742382.db2.gz HBNPLNMEXFZSOT-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099316268 1363746152 /nfs/dbraw/zinc/74/61/52/1363746152.db2.gz PRBOOZPEOYEGNA-BLGFXRMMSA-N 2 0 337.552 3.291 20 0 EGADRP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099316270 1363746512 /nfs/dbraw/zinc/74/65/12/1363746512.db2.gz PRBOOZPEOYEGNA-GFOMBABLSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001099349014 1363765236 /nfs/dbraw/zinc/76/52/36/1363765236.db2.gz NHBZJBHSCZBMOW-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)[N@H+](CCC2CC2)C1 ZINC001099354124 1363768504 /nfs/dbraw/zinc/76/85/04/1363768504.db2.gz MLJHKSYMZLUKEJ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099354203 1363768608 /nfs/dbraw/zinc/76/86/08/1363768608.db2.gz OBPLOFMRVBMBQY-QGZVFWFLSA-N 2 0 339.568 3.370 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100420485 1364108504 /nfs/dbraw/zinc/10/85/04/1364108504.db2.gz JVXVFGSRMMNUDO-SOAGJPPSSA-N 2 0 347.547 3.236 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100468779 1364125643 /nfs/dbraw/zinc/12/56/43/1364125643.db2.gz PXAGZPTXESKNIE-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001100730967 1364238966 /nfs/dbraw/zinc/23/89/66/1364238966.db2.gz VWHWAVAHPQWFTG-KKXNLOMOSA-N 2 0 347.547 3.236 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)C(C)C ZINC001100766107 1364251944 /nfs/dbraw/zinc/25/19/44/1364251944.db2.gz QCRXPHKWWBASLX-ABHNRTSZSA-N 2 0 339.568 3.273 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100770932 1364253378 /nfs/dbraw/zinc/25/33/78/1364253378.db2.gz QKIYHVWSIUUBLY-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC1CC([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001100860001 1364295891 /nfs/dbraw/zinc/29/58/91/1364295891.db2.gz MQGKXIXAPSKRGK-UUKMXZOPSA-N 2 0 345.531 3.210 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890368 1364314664 /nfs/dbraw/zinc/31/46/64/1364314664.db2.gz XNRJXWWZKXIGHP-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100996996 1364362793 /nfs/dbraw/zinc/36/27/93/1364362793.db2.gz QLNIZKIMQOTNSX-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001101036066 1364383738 /nfs/dbraw/zinc/38/37/38/1364383738.db2.gz HTTBOVFSOIJUHV-DAWZGUTISA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037923 1364384412 /nfs/dbraw/zinc/38/44/12/1364384412.db2.gz YDYIGAGTWKHBRJ-JSEXARSYSA-N 2 0 349.563 3.338 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(C)C)[C@@H](C)C1 ZINC001185318196 1387681328 /nfs/dbraw/zinc/68/13/28/1387681328.db2.gz USYZZJRZAUGPDC-RBUKOAKNSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(C)C)[C@@H](C)C1 ZINC001185318194 1387681473 /nfs/dbraw/zinc/68/14/73/1387681473.db2.gz USYZZJRZAUGPDC-OALUTQOASA-N 2 0 339.568 3.229 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001101550396 1364613477 /nfs/dbraw/zinc/61/34/77/1364613477.db2.gz GQWPHQQYUCPKFU-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]C[C@@H](C)CC)CC1 ZINC001101591093 1364641766 /nfs/dbraw/zinc/64/17/66/1364641766.db2.gz DZCBXYZRUVAHMF-KRWDZBQOSA-N 2 0 339.568 3.229 20 0 EGADRP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101594652 1364645639 /nfs/dbraw/zinc/64/56/39/1364645639.db2.gz JDMKWCFKRGCTNC-IPLHWJFFSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101595990 1364646570 /nfs/dbraw/zinc/64/65/70/1364646570.db2.gz DSFFOBPRXHUPRZ-QGZVFWFLSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101596303 1364647257 /nfs/dbraw/zinc/64/72/57/1364647257.db2.gz RTACKCQGURAYGC-CALCHBBNSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021358 1364813922 /nfs/dbraw/zinc/81/39/22/1364813922.db2.gz MXPFSFWNNUPQHT-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102357855 1365021164 /nfs/dbraw/zinc/02/11/64/1365021164.db2.gz LZZRPAUMWSIURR-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102376984 1365030657 /nfs/dbraw/zinc/03/06/57/1365030657.db2.gz HYIUCPOATUHDGK-SJLPKXTDSA-N 2 0 339.568 3.085 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102497161 1365086894 /nfs/dbraw/zinc/08/68/94/1365086894.db2.gz DHXSVGONYUNTTG-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102508680 1365092197 /nfs/dbraw/zinc/09/21/97/1365092197.db2.gz CSYVZNQQUYGNOQ-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596815 1365130087 /nfs/dbraw/zinc/13/00/87/1365130087.db2.gz ZDIOEWPXIVKRGJ-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600068 1365131478 /nfs/dbraw/zinc/13/14/78/1365131478.db2.gz KPEHHRRFLSUEQP-DSTKZSRVSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103084051 1365371534 /nfs/dbraw/zinc/37/15/34/1365371534.db2.gz WCSIDYDSYZQLRG-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185527838 1387739935 /nfs/dbraw/zinc/73/99/35/1387739935.db2.gz VIEMLHJUPORGSH-PKOBYXMFSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001185550593 1387745905 /nfs/dbraw/zinc/74/59/05/1387745905.db2.gz VKHYXDOKJDHWLN-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185550182 1387745679 /nfs/dbraw/zinc/74/56/79/1387745679.db2.gz TZECZZDWUODHDN-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103756891 1365766987 /nfs/dbraw/zinc/76/69/87/1365766987.db2.gz FFOVJADEXJBBDD-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104195992 1365948130 /nfs/dbraw/zinc/94/81/30/1365948130.db2.gz FCIIRJFFWDXLHR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452516 1366033764 /nfs/dbraw/zinc/03/37/64/1366033764.db2.gz NFVWGRSVWMAOBV-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676344 1366127123 /nfs/dbraw/zinc/12/71/23/1366127123.db2.gz GBJSUFGRPSLVCP-IVCWSTDESA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001104753217 1366157386 /nfs/dbraw/zinc/15/73/86/1366157386.db2.gz XKXHGQBMJNHCOS-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001104874246 1366206060 /nfs/dbraw/zinc/20/60/60/1366206060.db2.gz QLLMNPDFLRRDBW-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066959 1366304270 /nfs/dbraw/zinc/30/42/70/1366304270.db2.gz HKTHXLPCCKZQLT-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1)[NH+](CC)CC ZINC001105396895 1366445923 /nfs/dbraw/zinc/44/59/23/1366445923.db2.gz YLIROPUBWAZLSP-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536722 1366516503 /nfs/dbraw/zinc/51/65/03/1366516503.db2.gz IBSQTLFVUUZSCZ-OALUTQOASA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544916 1366522084 /nfs/dbraw/zinc/52/20/84/1366522084.db2.gz YSXXMSDPOBTBPX-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105561282 1366531211 /nfs/dbraw/zinc/53/12/11/1366531211.db2.gz KRJLOBJFQULOIA-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CCC1 ZINC001105563055 1366532348 /nfs/dbraw/zinc/53/23/48/1366532348.db2.gz BWADOWFLOBPIFY-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575118 1366539988 /nfs/dbraw/zinc/53/99/88/1366539988.db2.gz RMYATHFEQMJTFQ-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001106482749 1366708470 /nfs/dbraw/zinc/70/84/70/1366708470.db2.gz MQAVDCBDPPXHEM-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581426 1366742845 /nfs/dbraw/zinc/74/28/45/1366742845.db2.gz CHAQMUSVARZDMX-BSALYMGKSA-N 2 0 349.563 3.147 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106860382 1366818567 /nfs/dbraw/zinc/81/85/67/1366818567.db2.gz WZTQQPRZWXRRRF-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107029157 1366860827 /nfs/dbraw/zinc/86/08/27/1366860827.db2.gz NVZCASZJSSNUCI-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107035495 1366862143 /nfs/dbraw/zinc/86/21/43/1366862143.db2.gz JGXHEPJYJIUKBH-IEBWSBKVSA-N 2 0 345.531 3.092 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484997 1366986670 /nfs/dbraw/zinc/98/66/70/1366986670.db2.gz DKVAJHMXDJFXNR-SVFBPWRDSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001109371635 1367090863 /nfs/dbraw/zinc/09/08/63/1367090863.db2.gz NIVKROSTLJLXHK-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001109371650 1367090902 /nfs/dbraw/zinc/09/09/02/1367090902.db2.gz NYBNHSQNRYTDTD-YDZRNGNQSA-N 2 0 335.536 3.163 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399643 1367104154 /nfs/dbraw/zinc/10/41/54/1367104154.db2.gz QIVAJCVRGLPGGM-FUMNGEBKSA-N 2 0 347.547 3.305 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](CC)c3ccccc3)C[C@H]21 ZINC001189923757 1367132870 /nfs/dbraw/zinc/13/28/70/1367132870.db2.gz YJYQXWOMXYPOOO-XUVXKRRUSA-N 2 0 343.515 3.012 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489415 1367155201 /nfs/dbraw/zinc/15/52/01/1367155201.db2.gz VUWDYNMOJNKKSJ-NEWSRXKRSA-N 2 0 340.471 3.250 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190084748 1367168940 /nfs/dbraw/zinc/16/89/40/1367168940.db2.gz RQSVSHRTPRPJNR-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084905 1367170091 /nfs/dbraw/zinc/17/00/91/1367170091.db2.gz TYXVCSMUFKQIAN-ZSQQTYLHSA-N 2 0 335.536 3.138 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001109653727 1367265345 /nfs/dbraw/zinc/26/53/45/1367265345.db2.gz DQNOZTRYAPTZAN-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719665 1367292033 /nfs/dbraw/zinc/29/20/33/1367292033.db2.gz JXALZQZIOQHFNW-YRXWBPOGSA-N 2 0 349.563 3.122 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001109932853 1367410938 /nfs/dbraw/zinc/41/09/38/1367410938.db2.gz WFDWGXAARKFZSA-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191060794 1367413527 /nfs/dbraw/zinc/41/35/27/1367413527.db2.gz DKNANTGQJPDVKZ-SFHVURJKSA-N 2 0 335.536 3.138 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082184 1367420784 /nfs/dbraw/zinc/42/07/84/1367420784.db2.gz VFOOIQWJZVUBCB-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001110007316 1367455399 /nfs/dbraw/zinc/45/53/99/1367455399.db2.gz QMCBLAIWPZIHFF-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351868 1367482761 /nfs/dbraw/zinc/48/27/61/1367482761.db2.gz NJUJJYOHIBWFHW-SFHVURJKSA-N 2 0 342.487 3.307 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515663 1367519452 /nfs/dbraw/zinc/51/94/52/1367519452.db2.gz TYQMRBJPBTUIFL-IBGZPJMESA-N 2 0 345.531 3.127 20 0 EGADRP CC1(C)CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)C1 ZINC001110148215 1367526168 /nfs/dbraw/zinc/52/61/68/1367526168.db2.gz OEOGAOLKJGZCHW-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110158126 1367530226 /nfs/dbraw/zinc/53/02/26/1367530226.db2.gz IBUMTCVBAOQFMO-FYQPLNBISA-N 2 0 343.515 3.199 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001110159778 1367533112 /nfs/dbraw/zinc/53/31/12/1367533112.db2.gz WCHCWDUWGNQOFN-QYZOEREBSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161781 1367534693 /nfs/dbraw/zinc/53/46/93/1367534693.db2.gz SRJSFJJWLMULSU-FYQPLNBISA-N 2 0 349.563 3.265 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717427 1367553662 /nfs/dbraw/zinc/55/36/62/1367553662.db2.gz KGKQAWHNXVZEKW-KSZLIROESA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108739187 1367567698 /nfs/dbraw/zinc/56/76/98/1367567698.db2.gz UHCKFNOREDGIBV-KSZLIROESA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001108749721 1367573401 /nfs/dbraw/zinc/57/34/01/1367573401.db2.gz JHJWPWKBGRVIFN-JQHSSLGASA-N 2 0 347.503 3.114 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108751523 1367573728 /nfs/dbraw/zinc/57/37/28/1367573728.db2.gz VLLIHANIFZLVQF-PMEOWRCESA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001192656409 1367843614 /nfs/dbraw/zinc/84/36/14/1367843614.db2.gz RZZTZJAZQFSNQW-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)cc1 ZINC001192849271 1367888006 /nfs/dbraw/zinc/88/80/06/1367888006.db2.gz ZXFUVFOMIKXGQE-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)C(C)C ZINC001192918387 1367904810 /nfs/dbraw/zinc/90/48/10/1367904810.db2.gz ZKLIFIGTYOYQFE-ZWKOTPCHSA-N 2 0 339.568 3.322 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947079 1367908642 /nfs/dbraw/zinc/90/86/42/1367908642.db2.gz HLEVZGSYRBFWBO-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001192946332 1367909263 /nfs/dbraw/zinc/90/92/63/1367909263.db2.gz AQEXDPBHBKETRX-RBUKOAKNSA-N 2 0 345.531 3.239 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709920 1367941364 /nfs/dbraw/zinc/94/13/64/1367941364.db2.gz RFYXKMJARXALNI-QRVBRYPASA-N 2 0 347.547 3.164 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110753998 1367961306 /nfs/dbraw/zinc/96/13/06/1367961306.db2.gz DBROXUCZORGKKW-YSTOQKLRSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204298 1367966123 /nfs/dbraw/zinc/96/61/23/1367966123.db2.gz FCDJPEJKIIUICK-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206262 1367966218 /nfs/dbraw/zinc/96/62/18/1367966218.db2.gz YWIKAKKBMMSEFW-WHXUGTBJSA-N 2 0 349.563 3.386 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1 ZINC001193383697 1368017233 /nfs/dbraw/zinc/01/72/33/1368017233.db2.gz WRONVQVBDSEFTE-RBUKOAKNSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389890 1368017361 /nfs/dbraw/zinc/01/73/61/1368017361.db2.gz JGDCDHSRLHCWIH-MOPGFXCFSA-N 2 0 337.552 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862193 1368041527 /nfs/dbraw/zinc/04/15/27/1368041527.db2.gz BTJACDGLNIQYOQ-QRVBRYPASA-N 2 0 349.563 3.409 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001193581029 1368066491 /nfs/dbraw/zinc/06/64/91/1368066491.db2.gz XQBAYJPIFVGIOI-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(CC)cc2)C1 ZINC001193609804 1368072785 /nfs/dbraw/zinc/07/27/85/1368072785.db2.gz JIYCGELITYEVRO-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001110959283 1368124598 /nfs/dbraw/zinc/12/45/98/1368124598.db2.gz IGMSXYSYSTWCJI-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001111037045 1368146304 /nfs/dbraw/zinc/14/63/04/1368146304.db2.gz HVFNQDVPONLYIQ-YRXWBPOGSA-N 2 0 349.563 3.265 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097012 1368157931 /nfs/dbraw/zinc/15/79/31/1368157931.db2.gz GOKZPCBWIXIVLW-SPUOXGIXSA-N 2 0 347.547 3.329 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C)C(C)C ZINC001111164126 1368174049 /nfs/dbraw/zinc/17/40/49/1368174049.db2.gz KGYIXTQVLMHRQQ-AKHDSKFASA-N 2 0 337.552 3.120 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cccc(C)c1 ZINC001111171585 1368180209 /nfs/dbraw/zinc/18/02/09/1368180209.db2.gz KCKULJPMJCZMGB-AFYVEPGGSA-N 2 0 343.515 3.119 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001111233317 1368209070 /nfs/dbraw/zinc/20/90/70/1368209070.db2.gz MFWYIMYEIIYUKM-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228044 1368212791 /nfs/dbraw/zinc/21/27/91/1368212791.db2.gz PIWOYIYWLIPABG-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273896 1368221211 /nfs/dbraw/zinc/22/12/11/1368221211.db2.gz BSLDNDQDGJWMFU-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274179 1368221847 /nfs/dbraw/zinc/22/18/47/1368221847.db2.gz DIIXCWIIPKGFMX-HEVSSNLLSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)c1ccccc1C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194292643 1368225920 /nfs/dbraw/zinc/22/59/20/1368225920.db2.gz BDYITSKBGNDGJL-LJQANCHMSA-N 2 0 345.531 3.183 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782807 1368460113 /nfs/dbraw/zinc/46/01/13/1368460113.db2.gz ZBXCVJGJSSWZPM-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821573 1368482411 /nfs/dbraw/zinc/48/24/11/1368482411.db2.gz XGCWKSQOVIWMHR-RXVVDRJESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004796 1368608510 /nfs/dbraw/zinc/60/85/10/1368608510.db2.gz LQHXPBMMKPYRFR-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[NH+](CC2CCCC2)CC1)C1CCCCC1 ZINC001196641952 1368654080 /nfs/dbraw/zinc/65/40/80/1368654080.db2.gz VFGWJOPEDFJQSJ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001196970762 1368723455 /nfs/dbraw/zinc/72/34/55/1368723455.db2.gz VNSKVUOTGDZUHC-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001197141330 1368753484 /nfs/dbraw/zinc/75/34/84/1368753484.db2.gz GWXNVOVEERPSRL-RBUKOAKNSA-N 2 0 339.568 3.323 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112396734 1368822333 /nfs/dbraw/zinc/82/23/33/1368822333.db2.gz BRZMVDCDFBDNBY-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCC2)C1 ZINC001112436873 1368852557 /nfs/dbraw/zinc/85/25/57/1368852557.db2.gz LSCYXVUVCQUBOS-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001197708129 1368877387 /nfs/dbraw/zinc/87/73/87/1368877387.db2.gz WSEUGNNARUBUBL-LJQANCHMSA-N 2 0 345.531 3.241 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879978 1368919131 /nfs/dbraw/zinc/91/91/31/1368919131.db2.gz PVRCHCHVADBRPC-FQEVSTJZSA-N 2 0 345.531 3.404 20 0 EGADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCc1nsc2ccccc21 ZINC001197930282 1368926124 /nfs/dbraw/zinc/92/61/24/1368926124.db2.gz PHWJGVADOZXWCM-OAHLLOKOSA-N 2 0 338.480 3.445 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198229330 1368984225 /nfs/dbraw/zinc/98/42/25/1368984225.db2.gz GLPMINJUQGFBCT-WAYWQWQTSA-N 2 0 343.515 3.252 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001198260074 1368991795 /nfs/dbraw/zinc/99/17/95/1368991795.db2.gz WWFMHXMFEYSIPV-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP S=C(NCC[NH+]1CCCCC1)Nc1ccccc1C[NH+]1CCCC1 ZINC001200430092 1369365835 /nfs/dbraw/zinc/36/58/35/1369365835.db2.gz GNUYTJNRVFSIHD-UHFFFAOYSA-N 2 0 346.544 3.055 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC001113438952 1369428869 /nfs/dbraw/zinc/42/88/69/1369428869.db2.gz QXUZKOSHIJMIDD-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)C(C)C ZINC001113441836 1369431803 /nfs/dbraw/zinc/43/18/03/1369431803.db2.gz WWQLQJUQMZIDJI-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP CCCCC[NH+]1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001113529482 1369479861 /nfs/dbraw/zinc/47/98/61/1369479861.db2.gz RYIZCDXTKQWHIM-UHFFFAOYSA-N 2 0 325.541 3.223 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001201508513 1369560200 /nfs/dbraw/zinc/56/02/00/1369560200.db2.gz GBKZCDVQZNDCKH-SFHVURJKSA-N 2 0 331.504 3.042 20 0 EGADRP COc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c2ccncc12 ZINC001201668632 1369601291 /nfs/dbraw/zinc/60/12/91/1369601291.db2.gz YFEKQIWKAYVYPC-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP CCOc1c(F)cccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201672943 1369602609 /nfs/dbraw/zinc/60/26/09/1369602609.db2.gz PHQKDILIFTYRCF-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001201705778 1369609016 /nfs/dbraw/zinc/60/90/16/1369609016.db2.gz GERYQJVQRFCYES-LJQANCHMSA-N 2 0 331.504 3.185 20 0 EGADRP CCCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201727258 1369611241 /nfs/dbraw/zinc/61/12/41/1369611241.db2.gz PIVBGJVJZXHUPA-IBGZPJMESA-N 2 0 331.504 3.327 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]CC3CCCC3)CC2)CCCCC1 ZINC001201801235 1369626704 /nfs/dbraw/zinc/62/67/04/1369626704.db2.gz FRWUENHVZIPKQD-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201819001 1369629344 /nfs/dbraw/zinc/62/93/44/1369629344.db2.gz ZEZNCNYGRMYZCG-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC([NH2+]CC3CC(C)(C)C3)CC2)CCCC1 ZINC001201838500 1369631680 /nfs/dbraw/zinc/63/16/80/1369631680.db2.gz DZUQBZAFUDJSFA-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144812 1369700680 /nfs/dbraw/zinc/70/06/80/1369700680.db2.gz KDHKYGQUPLAFIA-OVKVCFKUSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001202231876 1369719634 /nfs/dbraw/zinc/71/96/34/1369719634.db2.gz XUNHLCCWILSZMB-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202929468 1369928536 /nfs/dbraw/zinc/92/85/36/1369928536.db2.gz NIOWXOMEPDVJMR-MSOLQXFVSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001114403245 1369933891 /nfs/dbraw/zinc/93/38/91/1369933891.db2.gz PFSCBBPSSIFNKX-XSYGEPLQSA-N 2 0 349.563 3.122 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202992240 1369948531 /nfs/dbraw/zinc/94/85/31/1369948531.db2.gz YXJMPEZPYLTCQT-YXBWYFRISA-N 2 0 337.552 3.290 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)C1CC1 ZINC001325743618 1388039821 /nfs/dbraw/zinc/03/98/21/1388039821.db2.gz PVIWTSXUYJJKQD-CEXWTWQISA-N 2 0 327.472 3.045 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115163 1369988132 /nfs/dbraw/zinc/98/81/32/1369988132.db2.gz SOLQLZVDIIUIQR-MSOLQXFVSA-N 2 0 347.547 3.212 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230061 1370032690 /nfs/dbraw/zinc/03/26/90/1370032690.db2.gz KBABCTKYNICPME-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230059 1370033096 /nfs/dbraw/zinc/03/30/96/1370033096.db2.gz KBABCTKYNICPME-DLBZAZTESA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]([NH2+]CCCC(C)(C)C)C23CCC3)CC1 ZINC001203317097 1370079962 /nfs/dbraw/zinc/07/99/62/1370079962.db2.gz LGIQAFPKPKHOGA-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325305 1370082454 /nfs/dbraw/zinc/08/24/54/1370082454.db2.gz LSXFLWKLRQRKGJ-IBQUMJASSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001203431907 1370123225 /nfs/dbraw/zinc/12/32/25/1370123225.db2.gz VCDBKCGBCVYCDI-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114921336 1370150317 /nfs/dbraw/zinc/15/03/17/1370150317.db2.gz KXQYEPGIUQQKAV-MAHPJUCHSA-N 2 0 347.547 3.042 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203578166 1370177237 /nfs/dbraw/zinc/17/72/37/1370177237.db2.gz ULWMLONBWOOWDX-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203630293 1370192870 /nfs/dbraw/zinc/19/28/70/1370192870.db2.gz FRAOIFDYAWBCMG-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203630477 1370193051 /nfs/dbraw/zinc/19/30/51/1370193051.db2.gz GWOFALXSSFHXHX-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203630976 1370193724 /nfs/dbraw/zinc/19/37/24/1370193724.db2.gz JMCKDZHWCQZJGA-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651914 1370202105 /nfs/dbraw/zinc/20/21/05/1370202105.db2.gz QPDKEWJUZOIPOC-BTFXCVNISA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203744336 1370246010 /nfs/dbraw/zinc/24/60/10/1370246010.db2.gz ZCCSTPQHWLYPCK-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203791546 1370265953 /nfs/dbraw/zinc/26/59/53/1370265953.db2.gz JRUMMWPBGOQNEW-OALUTQOASA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001203877136 1370297567 /nfs/dbraw/zinc/29/75/67/1370297567.db2.gz QYXRMQYXSNOWOP-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001204057221 1370362566 /nfs/dbraw/zinc/36/25/66/1370362566.db2.gz TUXIXBYXTDEHSL-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)ccc1O ZINC001204134135 1370386128 /nfs/dbraw/zinc/38/61/28/1370386128.db2.gz MNIBRTGULBOIEQ-INIZCTEOSA-N 2 0 328.412 3.148 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC001204268099 1370427289 /nfs/dbraw/zinc/42/72/89/1370427289.db2.gz FUNGMDSGWONIKS-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP Cc1nn(C)cc1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001204577146 1370520750 /nfs/dbraw/zinc/52/07/50/1370520750.db2.gz QXTVEGOSMKSHOH-IBGZPJMESA-N 2 0 342.487 3.198 20 0 EGADRP C[NH+](C)Cc1ccc(-c2nc(C3CC[NH2+]CC3)cc3nc[nH]c32)cc1 ZINC001204606187 1370529052 /nfs/dbraw/zinc/52/90/52/1370529052.db2.gz JGLKWKJCQZEFTA-UHFFFAOYSA-N 2 0 335.455 3.154 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536758 1370533423 /nfs/dbraw/zinc/53/34/23/1370533423.db2.gz GOBZFDKEWJJACE-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP Brc1csc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204727473 1370556883 /nfs/dbraw/zinc/55/68/83/1370556883.db2.gz AKXSIXKASUNVGQ-UHFFFAOYSA-N 2 0 329.307 3.476 20 0 EGADRP Fc1cccc(OC(F)F)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734722 1370558524 /nfs/dbraw/zinc/55/85/24/1370558524.db2.gz CUQQZDJWBZOIHY-UHFFFAOYSA-N 2 0 328.378 3.393 20 0 EGADRP Clc1cc(-n2cccn2)ccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741809 1370562305 /nfs/dbraw/zinc/56/23/05/1370562305.db2.gz CCXQAAJKAUOROB-UHFFFAOYSA-N 2 0 344.890 3.491 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCCCC1 ZINC001115563418 1370563157 /nfs/dbraw/zinc/56/31/57/1370563157.db2.gz UDZKJOQUPHOWSH-IAGOWNOFSA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115571572 1370574013 /nfs/dbraw/zinc/57/40/13/1370574013.db2.gz FKILJVLROGRKKK-LJQANCHMSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001204798796 1370578107 /nfs/dbraw/zinc/57/81/07/1370578107.db2.gz OGOJYCSPCQOATF-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1)[NH+](C)C ZINC001115592132 1370593023 /nfs/dbraw/zinc/59/30/23/1370593023.db2.gz UTHWFTMKKBFYSV-GOSISDBHSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115596594 1370597399 /nfs/dbraw/zinc/59/73/99/1370597399.db2.gz NVYJRHOXSDENFV-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115598054 1370598341 /nfs/dbraw/zinc/59/83/41/1370598341.db2.gz FWSBYCRYXXRVPN-LJQANCHMSA-N 2 0 343.515 3.080 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598552 1370598872 /nfs/dbraw/zinc/59/88/72/1370598872.db2.gz SJWVAYZJLQWJFO-PYTPGESOSA-N 2 0 335.536 3.236 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)CC)CCCCC1 ZINC001115601516 1370601191 /nfs/dbraw/zinc/60/11/91/1370601191.db2.gz DXOGFYWUJMKHFL-MRXNPFEDSA-N 2 0 325.541 3.172 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115615060 1370612829 /nfs/dbraw/zinc/61/28/29/1370612829.db2.gz ZCPIMSZILWCHMU-ONEGZZNKSA-N 2 0 347.547 3.380 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617284 1370614390 /nfs/dbraw/zinc/61/43/90/1370614390.db2.gz NBXMHFHKEZRQDX-UHFFFAOYSA-N 2 0 342.487 3.403 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c3cccc(OC)c23)C1 ZINC001205008436 1370626720 /nfs/dbraw/zinc/62/67/20/1370626720.db2.gz AOXGRKDCHKQOOT-OAHLLOKOSA-N 2 0 328.456 3.288 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)c(Cl)c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205046748 1370637374 /nfs/dbraw/zinc/63/73/74/1370637374.db2.gz LTZMYCREUUVOKB-UHFFFAOYSA-N 2 0 332.879 3.313 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205053428 1370638568 /nfs/dbraw/zinc/63/85/68/1370638568.db2.gz MIASAICJFXVTDL-UHFFFAOYSA-N 2 0 349.862 3.169 20 0 EGADRP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001205124337 1370657446 /nfs/dbraw/zinc/65/74/46/1370657446.db2.gz OLCGKFBJYHEAJO-OAHLLOKOSA-N 2 0 338.377 3.409 20 0 EGADRP c1ccc([C@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001205170942 1370669252 /nfs/dbraw/zinc/66/92/52/1370669252.db2.gz HADVWAJJJBZELH-HXUWFJFHSA-N 2 0 336.483 3.218 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115707866 1370686861 /nfs/dbraw/zinc/68/68/61/1370686861.db2.gz AAKUEWQFHSIIKF-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264304 1370700090 /nfs/dbraw/zinc/70/00/90/1370700090.db2.gz JMIZXDAHYSUGEC-HXUWFJFHSA-N 2 0 326.488 3.252 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001115729533 1370710913 /nfs/dbraw/zinc/71/09/13/1370710913.db2.gz JTTKPOYNACRPGR-SFHVURJKSA-N 2 0 347.547 3.237 20 0 EGADRP C[C@H]1CC[N@H+](CCCc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC001205296292 1370711334 /nfs/dbraw/zinc/71/13/34/1370711334.db2.gz KVYBVBYFVDFRKG-DZGCQCFKSA-N 2 0 325.294 3.298 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205296518 1370711628 /nfs/dbraw/zinc/71/16/28/1370711628.db2.gz QMOYTIVRCFKLNP-HXUWFJFHSA-N 2 0 325.456 3.461 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115729846 1370711732 /nfs/dbraw/zinc/71/17/32/1370711732.db2.gz VEQPCQMNIQMWNB-GOSISDBHSA-N 2 0 347.547 3.380 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115729790 1370711885 /nfs/dbraw/zinc/71/18/85/1370711885.db2.gz SQIBNONIJPRPRG-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115729886 1370712025 /nfs/dbraw/zinc/71/20/25/1370712025.db2.gz WWSGRZUHHSPFAV-KRWDZBQOSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H]1C[NH3+] ZINC001205306699 1370715001 /nfs/dbraw/zinc/71/50/01/1370715001.db2.gz YXLASFURLBIRMU-SJLPKXTDSA-N 2 0 334.467 3.442 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccc3cc(Br)cnc32)C[C@H]1C[NH3+] ZINC001205315385 1370719047 /nfs/dbraw/zinc/71/90/47/1370719047.db2.gz FMOQASZGIZRMDU-IUODEOHRSA-N 2 0 348.288 3.414 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001187304795 1388090874 /nfs/dbraw/zinc/09/08/74/1388090874.db2.gz ZAABOHUCPMJKQL-UHFFFAOYSA-N 2 0 331.504 3.129 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115760820 1370745145 /nfs/dbraw/zinc/74/51/45/1370745145.db2.gz UNERDTQGPNWKCA-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461854 1370762905 /nfs/dbraw/zinc/76/29/05/1370762905.db2.gz PWHKJYXLQMJIOO-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP c1cc2cc(C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)ccc2[nH]1 ZINC001205562869 1370791874 /nfs/dbraw/zinc/79/18/74/1370791874.db2.gz CNLIDZHYFMEPII-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001205561792 1370792099 /nfs/dbraw/zinc/79/20/99/1370792099.db2.gz LCJXVHJBGIADJB-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP CCn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001205563387 1370792836 /nfs/dbraw/zinc/79/28/36/1370792836.db2.gz OMDHYDJXASHPTF-RTWAWAEBSA-N 2 0 338.499 3.247 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205593884 1370803848 /nfs/dbraw/zinc/80/38/48/1370803848.db2.gz HECILECJQIUFPZ-XJDXJNMNSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CC[N@H+](CCc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC001205600945 1370806193 /nfs/dbraw/zinc/80/61/93/1370806193.db2.gz COCOUMVVXARKFW-DZGCQCFKSA-N 2 0 325.294 3.298 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616980 1370811928 /nfs/dbraw/zinc/81/19/28/1370811928.db2.gz RJMCTHAOYFDLKS-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618263 1370812300 /nfs/dbraw/zinc/81/23/00/1370812300.db2.gz TYOUOTVRFKYJGB-OLZOCXBDSA-N 2 0 346.393 3.401 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)cc21 ZINC001205651904 1370828568 /nfs/dbraw/zinc/82/85/68/1370828568.db2.gz LNZBQXVKJMDHOL-VQIMIIECSA-N 3 0 327.516 3.495 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC)c1Cl ZINC001205651206 1370828971 /nfs/dbraw/zinc/82/89/71/1370828971.db2.gz BBMFRANMXWINFS-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC)c1Cl ZINC001205651207 1370829440 /nfs/dbraw/zinc/82/94/40/1370829440.db2.gz BBMFRANMXWINFS-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccnc2OCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205654457 1370829867 /nfs/dbraw/zinc/82/98/67/1370829867.db2.gz WXKFSVBDIXUZSK-HKUYNNGSSA-N 2 0 339.483 3.467 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001205735629 1370855101 /nfs/dbraw/zinc/85/51/01/1370855101.db2.gz OSYCWPXFKKZWPA-HXUWFJFHSA-N 2 0 328.431 3.168 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c2ccccc12 ZINC001205925845 1370914063 /nfs/dbraw/zinc/91/40/63/1370914063.db2.gz ZISWDPYFYBFNGK-LSDHHAIUSA-N 2 0 328.456 3.416 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@]2(CC)CC[NH2+]C2)c1 ZINC001326027117 1388102593 /nfs/dbraw/zinc/10/25/93/1388102593.db2.gz NDKUHUUCWHNDRD-NRFANRHFSA-N 2 0 345.531 3.315 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205996015 1370932899 /nfs/dbraw/zinc/93/28/99/1370932899.db2.gz TVSLJSAUBKLGFN-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1O ZINC001206021599 1370940042 /nfs/dbraw/zinc/94/00/42/1370940042.db2.gz AJRVUNDXJZVOPB-QWHCGFSZSA-N 2 0 341.293 3.270 20 0 EGADRP CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206023980 1370941545 /nfs/dbraw/zinc/94/15/45/1370941545.db2.gz VPTPLZKJDWLDNI-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cn2)CCC[C@@H]1C[NH3+] ZINC001206036567 1370944598 /nfs/dbraw/zinc/94/45/98/1370944598.db2.gz LLFRWLAQKRQSPB-PKOBYXMFSA-N 2 0 339.483 3.467 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1OCC1CC1 ZINC001206036707 1370944808 /nfs/dbraw/zinc/94/48/08/1370944808.db2.gz ONRWAYQFLAKHEP-RDJZCZTQSA-N 2 0 332.488 3.291 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001206245101 1371001734 /nfs/dbraw/zinc/00/17/34/1371001734.db2.gz BYRLHZWYESNLLX-FQEVSTJZSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001206245103 1371001967 /nfs/dbraw/zinc/00/19/67/1371001967.db2.gz BYRLHZWYESNLLX-HXUWFJFHSA-N 2 0 345.531 3.135 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292881 1371014573 /nfs/dbraw/zinc/01/45/73/1371014573.db2.gz FHURCLDWCOHTOJ-MRXNPFEDSA-N 2 0 341.293 3.409 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1OC(F)F ZINC001206304130 1371015899 /nfs/dbraw/zinc/01/58/99/1371015899.db2.gz GNIHLJXBPDWVAJ-QGZVFWFLSA-N 2 0 328.403 3.248 20 0 EGADRP COc1cccc(-c2ncc(C[N@@H+]3CCC[C@@](C)(C[NH3+])CC3)cn2)c1 ZINC001206310943 1371017535 /nfs/dbraw/zinc/01/75/35/1371017535.db2.gz FXAYSVILQBGDQS-HXUWFJFHSA-N 2 0 340.471 3.103 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1-n1cnc(C)c1 ZINC001206318926 1371020526 /nfs/dbraw/zinc/02/05/26/1371020526.db2.gz VFMUECFSYZKXAF-FQEVSTJZSA-N 2 0 342.487 3.140 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)nc1 ZINC001206333314 1371025799 /nfs/dbraw/zinc/02/57/99/1371025799.db2.gz RZFOWPQAPYUFTR-FQEVSTJZSA-N 2 0 341.503 3.444 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206487339 1371070666 /nfs/dbraw/zinc/07/06/66/1371070666.db2.gz COOHLKSRUNERBQ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206500696 1371074743 /nfs/dbraw/zinc/07/47/43/1371074743.db2.gz POTWKZLNKISGBL-UHFFFAOYSA-N 2 0 343.471 3.214 20 0 EGADRP CC(C)[N@H+](Cc1cccc2c1OC(F)(F)O2)[C@@H]1CCC[NH2+]CC1 ZINC001206589146 1371101304 /nfs/dbraw/zinc/10/13/04/1371101304.db2.gz GARUBGFXGVKLPY-CQSZACIVSA-N 2 0 326.387 3.361 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCC[NH2+]C2CCCCC2)CC1 ZINC001206750294 1371153224 /nfs/dbraw/zinc/15/32/24/1371153224.db2.gz ZQPXFDXZFBEXDP-UHFFFAOYSA-N 3 0 329.532 3.291 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(F)cc1F ZINC001206760724 1371156009 /nfs/dbraw/zinc/15/60/09/1371156009.db2.gz KSJCBYKYQBJHBX-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001206772208 1371160879 /nfs/dbraw/zinc/16/08/79/1371160879.db2.gz ZFKSJLXBBUWCHK-RYUDHWBXSA-N 2 0 336.277 3.490 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871214 1371198152 /nfs/dbraw/zinc/19/81/52/1371198152.db2.gz CJIUXYFFIUMVBY-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CCC3CCCCCC3)CC2)C1 ZINC001206928602 1371229819 /nfs/dbraw/zinc/22/98/19/1371229819.db2.gz BMWZXQAYKJSZMP-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952446 1371244049 /nfs/dbraw/zinc/24/40/49/1371244049.db2.gz OZGGOUNJRCDNBU-KKHYBRAUSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1cnc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001207082131 1371287716 /nfs/dbraw/zinc/28/77/16/1371287716.db2.gz GIYZQUJGPQOUIL-UXHICEINSA-N 2 0 336.483 3.129 20 0 EGADRP O=c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc[nH]1 ZINC001207126351 1371302025 /nfs/dbraw/zinc/30/20/25/1371302025.db2.gz POVWNYSLHOPZON-UXHICEINSA-N 2 0 337.467 3.131 20 0 EGADRP O=c1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc[nH]1 ZINC001207126346 1371302652 /nfs/dbraw/zinc/30/26/52/1371302652.db2.gz POVWNYSLHOPZON-PMACEKPBSA-N 2 0 337.467 3.131 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207175812 1371321371 /nfs/dbraw/zinc/32/13/71/1371321371.db2.gz CVYOJRQXAJGPKZ-QUCCMNQESA-N 2 0 349.950 3.403 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC001207276445 1371347619 /nfs/dbraw/zinc/34/76/19/1371347619.db2.gz WVUJWMWJAWHDDY-UHFFFAOYSA-N 2 0 341.540 3.201 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001207284094 1371349996 /nfs/dbraw/zinc/34/99/96/1371349996.db2.gz IHZLBFHPDGVVMP-GOSISDBHSA-N 2 0 332.488 3.030 20 0 EGADRP Cc1noc([C@@H]2CC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001207292385 1371352410 /nfs/dbraw/zinc/35/24/10/1371352410.db2.gz QNEPCWIHNKBFIC-LJQANCHMSA-N 2 0 340.471 3.080 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207336933 1371364729 /nfs/dbraw/zinc/36/47/29/1371364729.db2.gz MVJKFJQCKFSWFC-MOZIWPGPSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1nc(Cl)c(CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)n1 ZINC001207345916 1371366965 /nfs/dbraw/zinc/36/69/65/1371366965.db2.gz OMUNFYOCLVUTLL-UHFFFAOYSA-N 2 0 343.302 3.052 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207392292 1371382964 /nfs/dbraw/zinc/38/29/64/1371382964.db2.gz YFIMSXRYNGDORH-LJQANCHMSA-N 2 0 343.515 3.438 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001207399685 1371385416 /nfs/dbraw/zinc/38/54/16/1371385416.db2.gz QXCYVDYFYZZIMX-IRXDYDNUSA-N 2 0 339.524 3.096 20 0 EGADRP CCCC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001207441101 1371396651 /nfs/dbraw/zinc/39/66/51/1371396651.db2.gz QNVOIJXMGMZBDC-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP CC1CC[NH+](CCc2nnc(-c3cccc(C[NH+](C)C)c3)o2)CC1 ZINC001326254450 1388134142 /nfs/dbraw/zinc/13/41/42/1388134142.db2.gz GTLGYOROGXTRMC-UHFFFAOYSA-N 2 0 328.460 3.073 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001207480137 1371408775 /nfs/dbraw/zinc/40/87/75/1371408775.db2.gz UTAJPUGFPTUPSV-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487151 1371410727 /nfs/dbraw/zinc/41/07/27/1371410727.db2.gz RDGURBGKDCGEME-UHFFFAOYSA-N 2 0 340.515 3.485 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207495053 1371413479 /nfs/dbraw/zinc/41/34/79/1371413479.db2.gz QKOVUIYMRDREBX-UHFFFAOYSA-N 2 0 335.511 3.108 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001120005766 1371452208 /nfs/dbraw/zinc/45/22/08/1371452208.db2.gz WOMGEYYQMSQWQQ-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120041271 1371466617 /nfs/dbraw/zinc/46/66/17/1371466617.db2.gz KRSDOFXAYGAVLP-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@H](C)CC)CCCCC1 ZINC001120041286 1371466806 /nfs/dbraw/zinc/46/68/06/1371466806.db2.gz MBXOSSKDVYUKQQ-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001120140661 1371494335 /nfs/dbraw/zinc/49/43/35/1371494335.db2.gz IXYKPDRNYFAJQE-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120208028 1371505174 /nfs/dbraw/zinc/50/51/74/1371505174.db2.gz RHSORAFNNXOGSK-UHFFFAOYSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001120208272 1371505556 /nfs/dbraw/zinc/50/55/56/1371505556.db2.gz XSIPEVNVXOLOBP-UHFFFAOYSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)=CCCC1=CC[C@@H](C[NH+]2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001207936964 1371543493 /nfs/dbraw/zinc/54/34/93/1371543493.db2.gz FEYWTXZAEVHYRH-HXUWFJFHSA-N 2 0 331.548 3.391 20 0 EGADRP Cc1cc(N2CC[NH+](C[C@H]3CCCCO3)CC2)c2ccccc2[nH+]1 ZINC001207955081 1371549953 /nfs/dbraw/zinc/54/99/53/1371549953.db2.gz YBKVRFYFYSPGAQ-QGZVFWFLSA-N 2 0 325.456 3.234 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422005 1371569000 /nfs/dbraw/zinc/56/90/00/1371569000.db2.gz HSWRJEUTCFMWTJ-DXPXIUTNSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001120432120 1371575141 /nfs/dbraw/zinc/57/51/41/1371575141.db2.gz YGFVPTYADYCMJD-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439747 1371577011 /nfs/dbraw/zinc/57/70/11/1371577011.db2.gz IQVWVOFSERZNMI-PXIXMTEYSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCN(c3nsc4ccccc43)CC2)CC1 ZINC001208109291 1371597721 /nfs/dbraw/zinc/59/77/21/1371597721.db2.gz HYEFUGWGLVMJSB-UHFFFAOYSA-N 2 0 344.528 3.150 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001208111990 1371598710 /nfs/dbraw/zinc/59/87/10/1371598710.db2.gz QFNVBIQOYJDRSY-NRFANRHFSA-N 2 0 342.483 3.060 20 0 EGADRP CCOC(=O)c1cc2c(s1)CC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208113174 1371598753 /nfs/dbraw/zinc/59/87/53/1371598753.db2.gz DTNWKQAEWQQOJX-UHFFFAOYSA-N 2 0 336.501 3.015 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208111331 1371598920 /nfs/dbraw/zinc/59/89/20/1371598920.db2.gz KGGYUZWKOVOOIT-RTWAWAEBSA-N 3 0 341.543 3.172 20 0 EGADRP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](CCN(C)C)CC3)C2)cc1 ZINC001208127628 1371603973 /nfs/dbraw/zinc/60/39/73/1371603973.db2.gz UAKUFVSUKVIPME-UHFFFAOYSA-N 2 0 329.532 3.235 20 0 EGADRP CC/C=C\CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001208135898 1371606851 /nfs/dbraw/zinc/60/68/51/1371606851.db2.gz MRTIXPXRUMUJSF-TZFVZSICSA-N 2 0 347.547 3.140 20 0 EGADRP CN(Cc1cncc(Br)c1)CC1(C[NH+](C)C)CCCC1 ZINC001208184368 1371624194 /nfs/dbraw/zinc/62/41/94/1371624194.db2.gz BJSITKLMCQPJSM-UHFFFAOYSA-N 2 0 340.309 3.398 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1)[NH+](C)C ZINC001208413802 1371758396 /nfs/dbraw/zinc/75/83/96/1371758396.db2.gz BNTASFAQRYQQAD-GJSLFFNZSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001208446924 1371768687 /nfs/dbraw/zinc/76/86/87/1371768687.db2.gz DDXOWLAUVMUQKN-MAUKXSAKSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1)c1ccccc1 ZINC001208447018 1371768817 /nfs/dbraw/zinc/76/88/17/1371768817.db2.gz FWPRFOHTYQPNIH-OALUTQOASA-N 2 0 345.531 3.449 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001208447338 1371769743 /nfs/dbraw/zinc/76/97/43/1371769743.db2.gz FFNPYGNFTBBPKO-QWFCFKBJSA-N 2 0 345.531 3.143 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208467749 1371779945 /nfs/dbraw/zinc/77/99/45/1371779945.db2.gz TYJHEAXKQZKLPH-LAQIPUCWSA-N 2 0 340.471 3.193 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474667 1371781162 /nfs/dbraw/zinc/78/11/62/1371781162.db2.gz OAKCPYDHERRFFV-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC001208588698 1371830145 /nfs/dbraw/zinc/83/01/45/1371830145.db2.gz KPNKVKWRBBKURD-RTWAWAEBSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC001208599753 1371836097 /nfs/dbraw/zinc/83/60/97/1371836097.db2.gz LTEZUZQBVSHINR-UHFFFAOYSA-N 2 0 335.923 3.190 20 0 EGADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[NH+](C)C1 ZINC001208612803 1371839993 /nfs/dbraw/zinc/83/99/93/1371839993.db2.gz OEFAZMIGCNOQCG-NRFANRHFSA-N 3 0 329.532 3.172 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001121133548 1371862017 /nfs/dbraw/zinc/86/20/17/1371862017.db2.gz CFARULPFFIFDLX-GSNYUWQOSA-N 2 0 349.563 3.026 20 0 EGADRP C[C@@H](CN(CC[NH+](C)C)CC[NH+](C)C)c1cccc2ccccc21 ZINC001208718304 1371872654 /nfs/dbraw/zinc/87/26/54/1371872654.db2.gz QFUMQICGTQNXAA-SFHVURJKSA-N 2 0 327.516 3.369 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@@H]([NH2+]CCC3CCCC3)C2)CCCC1 ZINC001208769874 1371890707 /nfs/dbraw/zinc/89/07/07/1371890707.db2.gz MOUDFKRMDMONIC-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121233946 1371902854 /nfs/dbraw/zinc/90/28/54/1371902854.db2.gz UFGOSLGRFUGTQR-SSBRDVDXSA-N 2 0 349.563 3.312 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001121288315 1371923319 /nfs/dbraw/zinc/92/33/19/1371923319.db2.gz CFNXMXVIACHLHU-FAFJLIIVSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)(C)[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208936329 1371952307 /nfs/dbraw/zinc/95/23/07/1371952307.db2.gz OHDHEGAJTJFWBR-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP CCOC(=O)C[C@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943225 1371956621 /nfs/dbraw/zinc/95/66/21/1371956621.db2.gz SCYAFGDSNXAORB-WOJBJXKFSA-N 2 0 344.499 3.174 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121702396 1372051199 /nfs/dbraw/zinc/05/11/99/1372051199.db2.gz CFWANJUXQHDPSD-KZYAKZRFSA-N 2 0 343.515 3.025 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001121799027 1372085139 /nfs/dbraw/zinc/08/51/39/1372085139.db2.gz YBKFJBMTTQSYAY-UFROIRFUSA-N 2 0 335.536 3.090 20 0 EGADRP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001209418075 1372100629 /nfs/dbraw/zinc/10/06/29/1372100629.db2.gz YADCTCCLUKKFKN-IKGGRYGDSA-N 2 0 334.529 3.459 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121859361 1372105587 /nfs/dbraw/zinc/10/55/87/1372105587.db2.gz DMJABPMOMBTVQU-SSBRDVDXSA-N 2 0 349.563 3.312 20 0 EGADRP CC[C@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)NC(=O)OC(C)(C)C ZINC001209466730 1372113686 /nfs/dbraw/zinc/11/36/86/1372113686.db2.gz QGLTZZQJMNSLCT-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC001121943992 1372129819 /nfs/dbraw/zinc/12/98/19/1372129819.db2.gz OEZCYJCLYDUNBY-UHFFFAOYSA-N 2 0 327.428 3.237 20 0 EGADRP C[C@@H]1C[C@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]1 ZINC001121996350 1372149190 /nfs/dbraw/zinc/14/91/90/1372149190.db2.gz GMJULVHWFUVVAO-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1)[NH+](CC)CC ZINC001209613584 1372150668 /nfs/dbraw/zinc/15/06/68/1372150668.db2.gz JRHUWIKLRSPTIY-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1)[NH+](CC)CC ZINC001209615984 1372152300 /nfs/dbraw/zinc/15/23/00/1372152300.db2.gz XXNZHYATLHHHGG-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C)C1)[NH+](CC)CC ZINC001209615995 1372152709 /nfs/dbraw/zinc/15/27/09/1372152709.db2.gz XZZHTZIUCXAUSI-UXHICEINSA-N 2 0 345.531 3.196 20 0 EGADRP C[NH+](C)CCCCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2 ZINC001122080653 1372170379 /nfs/dbraw/zinc/17/03/79/1372170379.db2.gz MHSYJTPLHYWRMP-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209688253 1372170966 /nfs/dbraw/zinc/17/09/66/1372170966.db2.gz CKQYFWQCQHGQCX-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cnccn2)CC3)c1 ZINC001209780556 1372195550 /nfs/dbraw/zinc/19/55/50/1372195550.db2.gz FTOWXBUUWLHJMM-UHFFFAOYSA-N 2 0 328.485 3.026 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122243076 1372210552 /nfs/dbraw/zinc/21/05/52/1372210552.db2.gz ZNMJRKHMWPKAHB-WZXTXQKWSA-N 2 0 335.536 3.068 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957660 1372240913 /nfs/dbraw/zinc/24/09/13/1372240913.db2.gz FUYFBQZCHKSKJQ-HTJOGQSXSA-N 2 0 349.563 3.290 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)C(C)C ZINC001210189366 1372291585 /nfs/dbraw/zinc/29/15/85/1372291585.db2.gz CXHHIMDZPUVRBB-ROUUACIJSA-N 2 0 343.531 3.073 20 0 EGADRP Clc1ccc2c(c1)nccc2Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263313 1372308974 /nfs/dbraw/zinc/30/89/74/1372308974.db2.gz XLYNDKLSHNJWPY-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP FC(F)(F)Oc1ccccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265608 1372309702 /nfs/dbraw/zinc/30/97/02/1372309702.db2.gz ALZKGWHMAVFISF-UHFFFAOYSA-N 2 0 338.333 3.133 20 0 EGADRP c1cc(Nc2ccc(N3CCCCC3)cc2)cc(N2CC[NH2+]CC2)[nH+]1 ZINC001210269546 1372311172 /nfs/dbraw/zinc/31/11/72/1372311172.db2.gz WOGAGGHOXWBBKX-UHFFFAOYSA-N 2 0 337.471 3.225 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccccc1 ZINC001210492901 1372366088 /nfs/dbraw/zinc/36/60/88/1372366088.db2.gz FPUNUAXHTBUIQH-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593762 1372386373 /nfs/dbraw/zinc/38/63/73/1372386373.db2.gz FAXFQTIZINDLNF-HZQHCPKGSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001210744601 1372417581 /nfs/dbraw/zinc/41/75/81/1372417581.db2.gz SCTORMIGIIRTOQ-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001210743214 1372417638 /nfs/dbraw/zinc/41/76/38/1372417638.db2.gz GXTLXRMXJKFSSN-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210743747 1372417709 /nfs/dbraw/zinc/41/77/09/1372417709.db2.gz KNQSPTAUSBOWEJ-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126211 1372487983 /nfs/dbraw/zinc/48/79/83/1372487983.db2.gz PCFROFATPDTXGE-GNAXCBTBSA-N 2 0 335.536 3.189 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001211229586 1372508021 /nfs/dbraw/zinc/50/80/21/1372508021.db2.gz XQOKHEVIBBOAJG-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211257913 1372514075 /nfs/dbraw/zinc/51/40/75/1372514075.db2.gz WWRHJAJMVJTILE-RTBURBONSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292723 1372522828 /nfs/dbraw/zinc/52/28/28/1372522828.db2.gz QYEUMVHFYICEGC-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367078 1372541394 /nfs/dbraw/zinc/54/13/94/1372541394.db2.gz NMOGYCCKAVGALC-MOZIWPGPSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711797 1372606561 /nfs/dbraw/zinc/60/65/61/1372606561.db2.gz SVYHKRQYQXRVKK-VQTJNVASSA-N 2 0 345.531 3.103 20 0 EGADRP CC(=O)c1ccc(F)c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1F ZINC001214760605 1373116319 /nfs/dbraw/zinc/11/63/19/1373116319.db2.gz OGNHXYHDJAYEQU-UHFFFAOYSA-N 2 0 346.381 3.058 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001215004302 1373154440 /nfs/dbraw/zinc/15/44/40/1373154440.db2.gz ZJOHVVYBJQLCQW-ZHALLVOQSA-N 2 0 345.531 3.223 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298770 1373195887 /nfs/dbraw/zinc/19/58/87/1373195887.db2.gz HABQJIFXVUMUDW-BTFXCVNISA-N 2 0 335.536 3.044 20 0 EGADRP CCOc1cc(C)ccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001215875762 1373246961 /nfs/dbraw/zinc/24/69/61/1373246961.db2.gz UGIUMQFJRKKPQY-UHFFFAOYSA-N 2 0 326.444 3.284 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215930206 1373251367 /nfs/dbraw/zinc/25/13/67/1373251367.db2.gz SUTUQRJCZZGLCR-LDBCMITESA-N 2 0 343.515 3.155 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846758 1373350564 /nfs/dbraw/zinc/35/05/64/1373350564.db2.gz XUQDLADWOGLSDE-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846683 1373350800 /nfs/dbraw/zinc/35/08/00/1373350800.db2.gz TWLSGJQGUWSWSA-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001216980925 1373374779 /nfs/dbraw/zinc/37/47/79/1373374779.db2.gz UWDJZOJIFWPPAF-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1ccc(C(C)(C)C)cc1 ZINC001129358635 1373374827 /nfs/dbraw/zinc/37/48/27/1373374827.db2.gz VQCWRSIOKGTPCM-INIZCTEOSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1)[NH+](C)C ZINC001129950445 1373439790 /nfs/dbraw/zinc/43/97/90/1373439790.db2.gz ULEXUOBXKFUTTD-ABHNRTSZSA-N 2 0 339.568 3.131 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001130187423 1373471444 /nfs/dbraw/zinc/47/14/44/1373471444.db2.gz UVFUGHBYDIZWKC-WOJBJXKFSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@H](C)[C@H]([NH2+]C)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217723001 1373495757 /nfs/dbraw/zinc/49/57/57/1373495757.db2.gz KOPKPMSHVUUTKT-UAGQMJEPSA-N 2 0 328.460 3.366 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCCC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC001217928821 1373513025 /nfs/dbraw/zinc/51/30/25/1373513025.db2.gz HTTPGFMMHBOTRC-ACRUOGEOSA-N 2 0 328.500 3.303 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001130425445 1373532246 /nfs/dbraw/zinc/53/22/46/1373532246.db2.gz ZSEJNUSOPGHSHM-MRXNPFEDSA-N 2 0 333.520 3.307 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001130425444 1373532704 /nfs/dbraw/zinc/53/27/04/1373532704.db2.gz ZSEJNUSOPGHSHM-INIZCTEOSA-N 2 0 333.520 3.307 20 0 EGADRP CC[C@@]1(c2cccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c2)CCCC[N@H+](C)C1 ZINC001218146691 1373569292 /nfs/dbraw/zinc/56/92/92/1373569292.db2.gz FXGFCYYIDSRUJJ-SQBLYHGDSA-N 2 0 328.500 3.437 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001130617547 1373570950 /nfs/dbraw/zinc/57/09/50/1373570950.db2.gz BVLFMAMDTNAELO-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)c1ccc(F)cc1 ZINC001130709289 1373583304 /nfs/dbraw/zinc/58/33/04/1373583304.db2.gz ZKVNUGKCQHERED-RTBURBONSA-N 2 0 349.494 3.103 20 0 EGADRP c1cnc2c(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218444232 1373613243 /nfs/dbraw/zinc/61/32/43/1373613243.db2.gz IOSXVYOTCAITHR-FQELHTAISA-N 2 0 337.467 3.350 20 0 EGADRP Nc1cn(C(=O)CCCCCCC[NH3+])cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218710696 1373646444 /nfs/dbraw/zinc/64/64/44/1373646444.db2.gz RRNLKKJUUPZRSV-UHFFFAOYSA-N 2 0 344.434 3.295 20 0 EGADRP Cc1ccccc1Oc1ccccc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218851898 1373661423 /nfs/dbraw/zinc/66/14/23/1373661423.db2.gz XPXFPIYBVYMRKD-HNNXBMFYSA-N 2 0 327.428 3.182 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001219003255 1373677078 /nfs/dbraw/zinc/67/70/78/1373677078.db2.gz BMQHYEVFYBCVDU-SFHVURJKSA-N 2 0 339.483 3.373 20 0 EGADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001218999360 1373677175 /nfs/dbraw/zinc/67/71/75/1373677175.db2.gz TVOMYAXJYUUGJP-AZUAARDMSA-N 2 0 335.451 3.440 20 0 EGADRP CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1O ZINC001219074225 1373685940 /nfs/dbraw/zinc/68/59/40/1373685940.db2.gz BCCFEBZHJKTUFF-HNNXBMFYSA-N 2 0 349.519 3.382 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)C23CC(C2)CC[N@@H+]3Cc2ccccc2)cc1 ZINC001219347297 1373702788 /nfs/dbraw/zinc/70/27/88/1373702788.db2.gz LKDBUMIRXAEQFA-UHFFFAOYSA-N 2 0 335.451 3.139 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664564 1373787802 /nfs/dbraw/zinc/78/78/02/1373787802.db2.gz ZMQYDOYIOKBIJX-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCC(C)C)C[C@H]21 ZINC001221876645 1373801493 /nfs/dbraw/zinc/80/14/93/1373801493.db2.gz MUYLGVUROBCUAF-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221918522 1373803246 /nfs/dbraw/zinc/80/32/46/1373803246.db2.gz NPXRLFDDJCVEPL-VAMGGRTRSA-N 2 0 343.515 3.012 20 0 EGADRP c1cc2c(cc1C[N@@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C[NH2+]CC2 ZINC001222173554 1373818649 /nfs/dbraw/zinc/81/86/49/1373818649.db2.gz UZKRFZKWGZGUTA-OAQYLSRUSA-N 3 0 327.516 3.078 20 0 EGADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001188313412 1388287804 /nfs/dbraw/zinc/28/78/04/1388287804.db2.gz PJPWCUWLEFJMCK-FQEVSTJZSA-N 2 0 343.515 3.051 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001188346396 1388294226 /nfs/dbraw/zinc/29/42/26/1388294226.db2.gz MNYDHILGGIYVMI-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223163908 1375033249 /nfs/dbraw/zinc/03/32/49/1375033249.db2.gz ATERRNUTPBXXJI-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCCC(C)(C)C)[C@H]2C1 ZINC001223847185 1375045426 /nfs/dbraw/zinc/04/54/26/1375045426.db2.gz ZBKANUKCUCUFQP-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929302 1375048231 /nfs/dbraw/zinc/04/82/31/1375048231.db2.gz SWPKSLGOZIIVOR-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc2c[nH+]cn21 ZINC001326961763 1388358414 /nfs/dbraw/zinc/35/84/14/1388358414.db2.gz IGAZNVWDJIDLJN-QGZVFWFLSA-N 2 0 340.471 3.170 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001225543050 1375122050 /nfs/dbraw/zinc/12/20/50/1375122050.db2.gz QGCHSAIZQIBRJA-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132105765 1375150805 /nfs/dbraw/zinc/15/08/05/1375150805.db2.gz MMFBQKVCSHOIPL-SJLPKXTDSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132129823 1375160744 /nfs/dbraw/zinc/16/07/44/1375160744.db2.gz YYFFLZSMRBQGFR-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CC1CCC1 ZINC001132141595 1375167479 /nfs/dbraw/zinc/16/74/79/1375167479.db2.gz SKEHNWZYJJDHTI-FUHWJXTLSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140818 1375167603 /nfs/dbraw/zinc/16/76/03/1375167603.db2.gz LELLGYQIMQWKGC-DLBZAZTESA-N 2 0 337.552 3.409 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132152857 1375172504 /nfs/dbraw/zinc/17/25/04/1375172504.db2.gz JRHHQNFQISSIDI-IEBWSBKVSA-N 2 0 345.531 3.194 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152968 1375172912 /nfs/dbraw/zinc/17/29/12/1375172912.db2.gz LSIQLIGIKMPCSJ-DLBZAZTESA-N 2 0 325.541 3.266 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)[NH+]1CCCCC1 ZINC001226267365 1375230524 /nfs/dbraw/zinc/23/05/24/1375230524.db2.gz HONXYGWLAJLODC-ZVYLKZBJSA-N 2 0 341.927 3.020 20 0 EGADRP CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001226323598 1375240554 /nfs/dbraw/zinc/24/05/54/1375240554.db2.gz PEQWYLGZMIRRHP-GVDBMIGSSA-N 2 0 334.508 3.070 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132264882 1375254438 /nfs/dbraw/zinc/25/44/38/1375254438.db2.gz DEUZGHVRRLOEKW-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CC1CCCC1 ZINC001132311847 1375290552 /nfs/dbraw/zinc/29/05/52/1375290552.db2.gz YZXGMRXMQZKEEK-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001226775609 1375331372 /nfs/dbraw/zinc/33/13/72/1375331372.db2.gz UCTJCYFZMZBTMC-GUDVDZBRSA-N 2 0 335.536 3.211 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]2C)cc1 ZINC001132374962 1375339637 /nfs/dbraw/zinc/33/96/37/1375339637.db2.gz BHKONFXBFXISNM-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380743 1375340881 /nfs/dbraw/zinc/34/08/81/1375340881.db2.gz OQKORCLYWCHVOX-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132388497 1375345703 /nfs/dbraw/zinc/34/57/03/1375345703.db2.gz MZZQLNRMGXYWSS-YKMDAGRBSA-N 2 0 349.563 3.432 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132392698 1375348669 /nfs/dbraw/zinc/34/86/69/1375348669.db2.gz OSFNJNWSUJXSDG-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132434513 1375378895 /nfs/dbraw/zinc/37/88/95/1375378895.db2.gz XYKVODRVQXKWOQ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435388 1375379588 /nfs/dbraw/zinc/37/95/88/1375379588.db2.gz CMMKLVFLMPGKER-FAPWYTRCSA-N 2 0 337.552 3.434 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCC1CCCC1 ZINC001132434639 1375380093 /nfs/dbraw/zinc/38/00/93/1375380093.db2.gz ZWYDFCOPHCUYCB-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(C)cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517336 1375435464 /nfs/dbraw/zinc/43/54/64/1375435464.db2.gz BCPVOVDXSTZIGM-QUCCMNQESA-N 2 0 345.531 3.113 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1Cc1ccsc1 ZINC001132524210 1375440647 /nfs/dbraw/zinc/44/06/47/1375440647.db2.gz FOVWLSIEQGFTKB-WMZOPIPTSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1Cc1ccsc1 ZINC001132524207 1375440710 /nfs/dbraw/zinc/44/07/10/1375440710.db2.gz FOVWLSIEQGFTKB-AEFFLSMTSA-N 2 0 349.544 3.093 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001227750546 1375471348 /nfs/dbraw/zinc/47/13/48/1375471348.db2.gz LCCFQMQYCITQHF-CSODTCANSA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227791725 1375475198 /nfs/dbraw/zinc/47/51/98/1375475198.db2.gz GBUGHBGNVOTHTM-WUUFJKRQSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2C(C)C)CC1)[NH+](C)C ZINC001227986575 1375498717 /nfs/dbraw/zinc/49/87/17/1375498717.db2.gz GAMUDCGLFVGMLS-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP CCc1ccc(C[NH+]2CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC2)cc1 ZINC001228065916 1375514872 /nfs/dbraw/zinc/51/48/72/1375514872.db2.gz TVSVOWKAIXNBPG-UHFFFAOYSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228206153 1375527165 /nfs/dbraw/zinc/52/71/65/1375527165.db2.gz GWSKJRBQQNFDCB-OSFIAYCASA-N 2 0 347.503 3.328 20 0 EGADRP C[NH+](C)Cc1c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ccc2ccccc21 ZINC001228440344 1375572981 /nfs/dbraw/zinc/57/29/81/1375572981.db2.gz CMKCFSJJXLWHGT-NYSBEXSLSA-N 2 0 338.451 3.084 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950279 1375666639 /nfs/dbraw/zinc/66/66/39/1375666639.db2.gz LIGXMEJUSIFNLZ-MOPGFXCFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C(C)C ZINC001228852934 1375694823 /nfs/dbraw/zinc/69/48/23/1375694823.db2.gz LTTXHXGENIMQLX-QZTJIDSGSA-N 2 0 348.535 3.460 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC001228904516 1375710393 /nfs/dbraw/zinc/71/03/93/1375710393.db2.gz KJOFXNPCGWXNLO-IZZDOVSWSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001228932722 1375720078 /nfs/dbraw/zinc/72/00/78/1375720078.db2.gz SSLQGWOSZADHSM-XCNBPSFOSA-N 2 0 341.927 3.019 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001133185656 1375829720 /nfs/dbraw/zinc/82/97/20/1375829720.db2.gz GYSNPMGQKDIAEV-OALUTQOASA-N 2 0 339.568 3.229 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133225840 1375853721 /nfs/dbraw/zinc/85/37/21/1375853721.db2.gz KPHUIUMFBNELAF-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001229686764 1375876540 /nfs/dbraw/zinc/87/65/40/1375876540.db2.gz ZWUXTLYPDQBICU-SFHVURJKSA-N 2 0 345.531 3.287 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133336727 1375929866 /nfs/dbraw/zinc/92/98/66/1375929866.db2.gz DNKSCYMSIDQFRP-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230016629 1375931703 /nfs/dbraw/zinc/93/17/03/1375931703.db2.gz QRGIXAXEFOCXRJ-YLJYHZDGSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133345455 1375933699 /nfs/dbraw/zinc/93/36/99/1375933699.db2.gz CJZIODNXPMIOFS-ICSRJNTNSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230378750 1376011589 /nfs/dbraw/zinc/01/15/89/1376011589.db2.gz UMMXMOZGINWMMO-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230431552 1376029362 /nfs/dbraw/zinc/02/93/62/1376029362.db2.gz KZXKMAKCLFUSTC-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598787 1376094579 /nfs/dbraw/zinc/09/45/79/1376094579.db2.gz YYOFSUQDYRJQSI-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C)[NH+](CC)CC ZINC001133690770 1376157530 /nfs/dbraw/zinc/15/75/30/1376157530.db2.gz VYXGUJYMPNLEOG-HKUYNNGSSA-N 2 0 333.520 3.191 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001133908252 1376260036 /nfs/dbraw/zinc/26/00/36/1376260036.db2.gz JEVQPPMMVWMAAH-KRWDZBQOSA-N 2 0 333.520 3.048 20 0 EGADRP Cc1sc2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001231649995 1376292732 /nfs/dbraw/zinc/29/27/32/1376292732.db2.gz VYFWONIVBMCTIP-UHFFFAOYSA-N 2 0 343.540 3.423 20 0 EGADRP Cc1cc(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc(C)n1 ZINC001231996783 1376375627 /nfs/dbraw/zinc/37/56/27/1376375627.db2.gz HCOUJWHYXDAVSY-HXUWFJFHSA-N 2 0 331.504 3.021 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@@]1(O)C(F)(F)F ZINC001232012271 1376382953 /nfs/dbraw/zinc/38/29/53/1376382953.db2.gz XXUCKOKAKDZHQE-NHYWBVRUSA-N 2 0 327.350 3.088 20 0 EGADRP CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016752 1376385368 /nfs/dbraw/zinc/38/53/68/1376385368.db2.gz FJKYNRQZGQMLDI-QGZVFWFLSA-N 2 0 347.459 3.133 20 0 EGADRP Nc1ccc(CN2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232369824 1376451468 /nfs/dbraw/zinc/45/14/68/1376451468.db2.gz OSSJBYUOPCKUGT-NRFANRHFSA-N 2 0 336.483 3.152 20 0 EGADRP CNc1ccccc1CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001232669239 1376497427 /nfs/dbraw/zinc/49/74/27/1376497427.db2.gz CNIUDSFQMAPKDO-PZJWPPBQSA-N 2 0 343.515 3.051 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134524906 1376576602 /nfs/dbraw/zinc/57/66/02/1376576602.db2.gz SRNLXSINEAVDPU-GJZGRUSLSA-N 2 0 339.549 3.342 20 0 EGADRP COCOc1cccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001233281656 1376601710 /nfs/dbraw/zinc/60/17/10/1376601710.db2.gz LDRAZILARLRKEN-UHFFFAOYSA-N 2 0 332.488 3.223 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001134584742 1376607865 /nfs/dbraw/zinc/60/78/65/1376607865.db2.gz WPKNRHZXWZOQCQ-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C/c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584439 1376607907 /nfs/dbraw/zinc/60/79/07/1376607907.db2.gz UQRVNDQPOWKHJF-YJZJKARDSA-N 2 0 343.515 3.057 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C/C=C/Cl ZINC001134790399 1376723392 /nfs/dbraw/zinc/72/33/92/1376723392.db2.gz BUTCQIMIPRTQNF-LMSYVIICSA-N 2 0 343.943 3.265 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858556 1376757299 /nfs/dbraw/zinc/75/72/99/1376757299.db2.gz WALAJEFZXOOVBL-DLBZAZTESA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858674 1376758382 /nfs/dbraw/zinc/75/83/82/1376758382.db2.gz XPUKVBHNTFDNCN-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1)[NH2+]CCC1CCCC1 ZINC001134892448 1376771367 /nfs/dbraw/zinc/77/13/67/1376771367.db2.gz MBKWFCZPZHZFCA-CVEARBPZSA-N 2 0 342.487 3.401 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134992720 1376832124 /nfs/dbraw/zinc/83/21/24/1376832124.db2.gz AGJVDLKXTOUYQZ-GJZGRUSLSA-N 2 0 342.487 3.257 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994692 1376833501 /nfs/dbraw/zinc/83/35/01/1376833501.db2.gz VWYLBIJRNXCUKC-HUUCEWRRSA-N 2 0 328.460 3.011 20 0 EGADRP Fc1cccc(CN2CC[C@@]23CCC[N@H+](CCC2CC[NH2+]CC2)C3)c1 ZINC001235630320 1376878968 /nfs/dbraw/zinc/87/89/68/1376878968.db2.gz YYQPTQWPXVZGFI-OAQYLSRUSA-N 2 0 345.506 3.256 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077599 1376882368 /nfs/dbraw/zinc/88/23/68/1376882368.db2.gz PYCJJQQSNJKQDQ-ZWKOTPCHSA-N 2 0 337.552 3.480 20 0 EGADRP CC(C)c1cc(CN2CCN(C3CC[NH2+]CC3)CC2)ccc1Cl ZINC001235703960 1376884402 /nfs/dbraw/zinc/88/44/02/1376884402.db2.gz WOELUVBASQMPMW-UHFFFAOYSA-N 2 0 335.923 3.333 20 0 EGADRP CCN(CC)c1ncc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)s1 ZINC001235702286 1376884431 /nfs/dbraw/zinc/88/44/31/1376884431.db2.gz RCOZTSUNYMOUQY-UHFFFAOYSA-N 2 0 336.549 3.201 20 0 EGADRP COc1ncc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1Cl ZINC001235702722 1376884509 /nfs/dbraw/zinc/88/45/09/1376884509.db2.gz WPBFXLJJHAKXNH-UHFFFAOYSA-N 2 0 325.884 3.296 20 0 EGADRP Cc1cc(Br)cc(C)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001235784124 1376895786 /nfs/dbraw/zinc/89/57/86/1376895786.db2.gz MXHVTKNLKISDPY-CABCVRRESA-N 2 0 337.305 3.449 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135101538 1376899161 /nfs/dbraw/zinc/89/91/61/1376899161.db2.gz MOFNWGZMSSDBDG-ROUUACIJSA-N 2 0 345.531 3.243 20 0 EGADRP Cc1csc2sc(C[N@@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)c(C)c12 ZINC001236077482 1376932435 /nfs/dbraw/zinc/93/24/35/1376932435.db2.gz IDWRMTZPQPDWEA-CQSZACIVSA-N 2 0 335.542 3.187 20 0 EGADRP Clc1ccccc1CN(CC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001236449762 1376952828 /nfs/dbraw/zinc/95/28/28/1376952828.db2.gz AJKPDWMZCIUEFS-MRXNPFEDSA-N 2 0 335.923 3.284 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180387 1376952974 /nfs/dbraw/zinc/95/29/74/1376952974.db2.gz GOBVVROPAQTHFT-DLBZAZTESA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1occc1C[NH+](C)C)[NH2+]CC1CCCCC1 ZINC001135297804 1377026601 /nfs/dbraw/zinc/02/66/01/1377026601.db2.gz HRXNQLLNWMVCBZ-CVEARBPZSA-N 2 0 349.519 3.408 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1occc1C[NH+](C)C ZINC001135299342 1377026934 /nfs/dbraw/zinc/02/69/34/1377026934.db2.gz WGKGHVZZJJAFFZ-LSDHHAIUSA-N 2 0 349.519 3.264 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccccc1Cl ZINC001135314947 1377033551 /nfs/dbraw/zinc/03/35/51/1377033551.db2.gz JBQWTQUFFLPFKA-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCCc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001135317357 1377034611 /nfs/dbraw/zinc/03/46/11/1377034611.db2.gz YBVIJEKTWZRACO-RBUKOAKNSA-N 2 0 347.547 3.224 20 0 EGADRP c1ccc2c(c1)CCC21CCC([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001246156863 1377050473 /nfs/dbraw/zinc/05/04/73/1377050473.db2.gz PBTYZLRODRXQNI-GCUGVYCQSA-N 2 0 340.511 3.027 20 0 EGADRP C[C@]1([NH3+])CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001246541489 1377052107 /nfs/dbraw/zinc/05/21/07/1377052107.db2.gz NYNXMXILZITCDW-WOZUAGRISA-N 2 0 327.516 3.385 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)N(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246938691 1377055967 /nfs/dbraw/zinc/05/59/67/1377055967.db2.gz SJHXXQDOZWFVPM-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP C[NH2+]C[C@H]1CCCN1[C@@H](C)CCc1ccc(Br)cc1 ZINC001246938952 1377055976 /nfs/dbraw/zinc/05/59/76/1377055976.db2.gz QCZNQMIZEFZYOD-XJKSGUPXSA-N 2 0 325.294 3.454 20 0 EGADRP COC(=O)CC1CCC([N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246938354 1377056443 /nfs/dbraw/zinc/05/64/43/1377056443.db2.gz PDLDHYBSSWWPET-TVRKMHQQSA-N 2 0 336.520 3.353 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252395193 1377089161 /nfs/dbraw/zinc/08/91/61/1377089161.db2.gz YEJHXEUIPLHLGV-IBGZPJMESA-N 2 0 344.499 3.291 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001135441040 1377098475 /nfs/dbraw/zinc/09/84/75/1377098475.db2.gz YGTYBFADEPJYPB-INIZCTEOSA-N 2 0 337.483 3.105 20 0 EGADRP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254510383 1377104972 /nfs/dbraw/zinc/10/49/72/1377104972.db2.gz VERQTJNKSMRUTP-ZFWWWQNUSA-N 2 0 325.294 3.454 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001254509345 1377105427 /nfs/dbraw/zinc/10/54/27/1377105427.db2.gz ZSHKFIRGGDMRAQ-DLBZAZTESA-N 2 0 337.305 3.380 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001254510488 1377105637 /nfs/dbraw/zinc/10/56/37/1377105637.db2.gz XAVXOGBGXVALAO-GOSISDBHSA-N 2 0 335.923 3.378 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001254508457 1377105835 /nfs/dbraw/zinc/10/58/35/1377105835.db2.gz JDKNIAXHHIYYEC-SFHVURJKSA-N 2 0 337.458 3.003 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526681 1377106927 /nfs/dbraw/zinc/10/69/27/1377106927.db2.gz STROCVWABRHPKW-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)C(C)C ZINC001135474531 1377110168 /nfs/dbraw/zinc/11/01/68/1377110168.db2.gz SJHVTMNJKQNOPA-FQEVSTJZSA-N 2 0 345.531 3.136 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135477268 1377111788 /nfs/dbraw/zinc/11/17/88/1377111788.db2.gz UIDVBCFYOYITSI-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477249 1377111848 /nfs/dbraw/zinc/11/18/48/1377111848.db2.gz UANKSIGBSOOEJW-HZPDHXFCSA-N 2 0 327.557 3.273 20 0 EGADRP [NH3+]CCc1cn(C2CCN(C(=O)c3ccccc3)CC2)c2cc[nH+]cc12 ZINC001258638907 1377118299 /nfs/dbraw/zinc/11/82/99/1377118299.db2.gz ICWFSRMOMVZRKL-UHFFFAOYSA-N 2 0 348.450 3.015 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)CCCCC1 ZINC001265921083 1377172104 /nfs/dbraw/zinc/17/21/04/1377172104.db2.gz HPXPCCOSFYMWKO-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676581 1377181004 /nfs/dbraw/zinc/18/10/04/1377181004.db2.gz YVTPYSWIIYQXFH-IAGOWNOFSA-N 2 0 333.520 3.281 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767851 1377206123 /nfs/dbraw/zinc/20/61/23/1377206123.db2.gz IZVJAGBJTUTVJJ-RBUKOAKNSA-N 2 0 349.563 3.482 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135860706 1377237925 /nfs/dbraw/zinc/23/79/25/1377237925.db2.gz GOERGKNEHVDNFO-DLBZAZTESA-N 2 0 339.568 3.418 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944943 1377273662 /nfs/dbraw/zinc/27/36/62/1377273662.db2.gz SQOBDNHAPSNCQY-LJFOUZCWSA-N 2 0 346.519 3.381 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135960510 1377276883 /nfs/dbraw/zinc/27/68/83/1377276883.db2.gz DCCRIQLPBPAASM-ZWKOTPCHSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135977275 1377284524 /nfs/dbraw/zinc/28/45/24/1377284524.db2.gz REOZLOLDAGVNHY-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CC(C)C1 ZINC001267314975 1377439922 /nfs/dbraw/zinc/43/99/22/1377439922.db2.gz XSEMREDUCNTKSW-QLOJAFMTSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc2c(C[N@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001136970217 1377447210 /nfs/dbraw/zinc/44/72/10/1377447210.db2.gz KFHXDZCVYLZWNV-BGYRXZFFSA-N 2 0 346.478 3.435 20 0 EGADRP CC[C@@H]([NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1)c1ccccc1 ZINC001267841589 1377473852 /nfs/dbraw/zinc/47/38/52/1377473852.db2.gz UZSFEFGWIWSFDS-MOPGFXCFSA-N 2 0 345.531 3.497 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)CC1 ZINC001267970972 1377481063 /nfs/dbraw/zinc/48/10/63/1377481063.db2.gz PQBUKVFBAFUNBH-CTWPCTMYSA-N 2 0 337.552 3.125 20 0 EGADRP c1c2ccccc2[nH]c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001137313710 1377515532 /nfs/dbraw/zinc/51/55/32/1377515532.db2.gz NXTDBLIBURKCQY-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234609 1377544863 /nfs/dbraw/zinc/54/48/63/1377544863.db2.gz BKCPRTNAHQTCPI-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC001137680037 1377591244 /nfs/dbraw/zinc/59/12/44/1377591244.db2.gz ILYCVJXTPRZLNC-UHFFFAOYSA-N 2 0 331.529 3.361 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3c(C)cccc3C)CC2)C1 ZINC001137852595 1377631102 /nfs/dbraw/zinc/63/11/02/1377631102.db2.gz IPJIYVKQCPMVOU-SFHVURJKSA-N 2 0 344.499 3.153 20 0 EGADRP COc1ccc2[nH]cc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)c2c1 ZINC001138510019 1377735371 /nfs/dbraw/zinc/73/53/71/1377735371.db2.gz MPCWENKGDBSGLM-UHFFFAOYSA-N 2 0 327.472 3.484 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@H]2C1 ZINC001138588675 1377748980 /nfs/dbraw/zinc/74/89/80/1377748980.db2.gz WLYFMBIFEUISBB-RTBURBONSA-N 2 0 346.478 3.409 20 0 EGADRP Fc1ncccc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001138793015 1377786462 /nfs/dbraw/zinc/78/64/62/1377786462.db2.gz FOGZWRLALRDAHK-UHFFFAOYSA-N 2 0 325.431 3.319 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1C(F)F ZINC001139799569 1377951930 /nfs/dbraw/zinc/95/19/30/1377951930.db2.gz RRHADRLJADSARK-UHFFFAOYSA-N 2 0 327.463 3.330 20 0 EGADRP c1ccc(-c2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2)nc1 ZINC001140377125 1378053793 /nfs/dbraw/zinc/05/37/93/1378053793.db2.gz PLUGROBYQNLIHJ-UHFFFAOYSA-N 2 0 330.435 3.466 20 0 EGADRP c1csc(CN2C[C@@H]3C[N@@H+](Cc4ccc5n[nH]cc5c4)C[C@@H]3C2)c1 ZINC001140385283 1378055176 /nfs/dbraw/zinc/05/51/76/1378055176.db2.gz ASOQHASCGCNYTP-CALCHBBNSA-N 2 0 338.480 3.188 20 0 EGADRP Cc1ccc(F)cc1CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001140590795 1378091234 /nfs/dbraw/zinc/09/12/34/1378091234.db2.gz LGDUWECEBLISOI-TZIWHRDSSA-N 2 0 346.490 3.314 20 0 EGADRP CC1CC(C[N@H+](C)CCCN(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001273591424 1378105119 /nfs/dbraw/zinc/10/51/19/1378105119.db2.gz QWPLZYTXSSSCNP-UHFFFAOYSA-N 2 0 345.531 3.188 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(CO)o1)CC2 ZINC001140680131 1378113063 /nfs/dbraw/zinc/11/30/63/1378113063.db2.gz PKJAGJKGKSVANP-LJQANCHMSA-N 2 0 344.455 3.242 20 0 EGADRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc3cc[nH]c31)CC2 ZINC001275164694 1378135984 /nfs/dbraw/zinc/13/59/84/1378135984.db2.gz PRBXVPZZLVENPF-UHFFFAOYSA-N 2 0 340.515 3.017 20 0 EGADRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cccc4cc[nH]c43)(C1)CCC2 ZINC001275164128 1378136011 /nfs/dbraw/zinc/13/60/11/1378136011.db2.gz DREBCIHGRRCMIJ-LEWJYISDSA-N 2 0 340.515 3.254 20 0 EGADRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CC1 ZINC001275722649 1378153462 /nfs/dbraw/zinc/15/34/62/1378153462.db2.gz VEZBCWXBPSNETA-HDICACEKSA-N 2 0 338.455 3.043 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(OC(F)(F)F)c(F)c1)CC2 ZINC001140887373 1378170057 /nfs/dbraw/zinc/17/00/57/1378170057.db2.gz AIAUMJWQIQMJLL-UHFFFAOYSA-N 2 0 332.341 3.252 20 0 EGADRP CCCCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001276336870 1378172380 /nfs/dbraw/zinc/17/23/80/1378172380.db2.gz SPHFZGOSKCBUFP-SFTDATJTSA-N 2 0 329.532 3.239 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnccc1C(F)(F)F)CC2 ZINC001140923205 1378181789 /nfs/dbraw/zinc/18/17/89/1378181789.db2.gz VTUINRVDTAFEJF-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@]23CC[N@H+](CCC(C)(C)C)C3)CC1 ZINC001277254604 1378213057 /nfs/dbraw/zinc/21/30/57/1378213057.db2.gz UXVSAUZVELZLKR-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1-c1cccs1 ZINC001141096508 1378239112 /nfs/dbraw/zinc/23/91/12/1378239112.db2.gz HBXLBOXXDPMFEG-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP CN(CC[N@H+](C)Cc1cccc(-n2ccnc2)c1)C(=O)OC(C)(C)C ZINC001141238531 1378280515 /nfs/dbraw/zinc/28/05/15/1378280515.db2.gz LZMRXJMKGLTKBW-UHFFFAOYSA-N 2 0 344.459 3.171 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(C(F)(F)F)nn2)CC1 ZINC001141495441 1378334254 /nfs/dbraw/zinc/33/42/54/1378334254.db2.gz CEGJSVBAUWZOPW-UHFFFAOYSA-N 2 0 330.398 3.048 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001280367969 1378344355 /nfs/dbraw/zinc/34/43/55/1378344355.db2.gz XTXKXKZFQMUUQX-GUDVDZBRSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001280770153 1378372521 /nfs/dbraw/zinc/37/25/21/1378372521.db2.gz OACCNBZEMGEDJA-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccc2ccccc2c1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001142383668 1378438133 /nfs/dbraw/zinc/43/81/33/1378438133.db2.gz NKYCAWZXRNMTKP-UHFFFAOYSA-N 2 0 325.500 3.218 20 0 EGADRP COc1cc(C)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1 ZINC001142935285 1378512756 /nfs/dbraw/zinc/51/27/56/1378512756.db2.gz WXIGRAYQVBOWTP-UHFFFAOYSA-N 2 0 335.536 3.017 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282715643 1378573592 /nfs/dbraw/zinc/57/35/92/1378573592.db2.gz BMJXUPCJNGIRKZ-LPHOPBHVSA-N 2 0 343.515 3.059 20 0 EGADRP COc1ccc(CN2CC3(C2)CC[NH+](C)CC3)c(C(F)(F)F)c1 ZINC001143482976 1378602232 /nfs/dbraw/zinc/60/22/32/1378602232.db2.gz CEGGXVRWLBMXKB-UHFFFAOYSA-N 2 0 328.378 3.242 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001143638675 1378628694 /nfs/dbraw/zinc/62/86/94/1378628694.db2.gz ZBRZAHSYLUJKQB-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)CC(C)(C)C ZINC001143898145 1378657745 /nfs/dbraw/zinc/65/77/45/1378657745.db2.gz ZZSHNPGOBSBJLU-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccccc1CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146601652 1378875684 /nfs/dbraw/zinc/87/56/84/1378875684.db2.gz NMCHLBRQCDFABE-RBUKOAKNSA-N 2 0 347.547 3.141 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146610166 1378877561 /nfs/dbraw/zinc/87/75/61/1378877561.db2.gz ICCZFYYITUPBRT-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001147358662 1379008344 /nfs/dbraw/zinc/00/83/44/1379008344.db2.gz HUSUXXGWSLFTBA-VQTJNVASSA-N 2 0 345.531 3.498 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001147450122 1379023452 /nfs/dbraw/zinc/02/34/52/1379023452.db2.gz ZZKBTTHFMHUUMY-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147742645 1379069950 /nfs/dbraw/zinc/06/99/50/1379069950.db2.gz MUCYLDUZZDHSLF-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001147889660 1379097320 /nfs/dbraw/zinc/09/73/20/1379097320.db2.gz HROAAOPMGOWHLF-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001148591350 1379219152 /nfs/dbraw/zinc/21/91/52/1379219152.db2.gz RQJWMQDQNAWFSB-UHFFFAOYSA-N 2 0 349.563 3.389 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625549 1379228038 /nfs/dbraw/zinc/22/80/38/1379228038.db2.gz CRCLPPBMGNHLCI-GOSISDBHSA-N 2 0 343.515 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148652173 1379234073 /nfs/dbraw/zinc/23/40/73/1379234073.db2.gz YGETXGYULPGZCI-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827922 1379278203 /nfs/dbraw/zinc/27/82/03/1379278203.db2.gz RORCYKXROSHOBF-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001284244537 1379628520 /nfs/dbraw/zinc/62/85/20/1379628520.db2.gz RISWMCSWLUFPNM-RBUKOAKNSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001151362509 1379705835 /nfs/dbraw/zinc/70/58/35/1379705835.db2.gz XXFYVWMETTYWGJ-OALUTQOASA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001151903759 1379813766 /nfs/dbraw/zinc/81/37/66/1379813766.db2.gz TVLHKSMLIQRHPS-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312284 1380053263 /nfs/dbraw/zinc/05/32/63/1380053263.db2.gz CWJXEBHUSCXFOB-MSOLQXFVSA-N 2 0 325.541 3.266 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312527 1380053733 /nfs/dbraw/zinc/05/37/33/1380053733.db2.gz JGFGZTQUURTZCD-SJORKVTESA-N 2 0 325.541 3.122 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388255 1380068412 /nfs/dbraw/zinc/06/84/12/1380068412.db2.gz YGCGILYILVFCIC-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001153506871 1380086483 /nfs/dbraw/zinc/08/64/83/1380086483.db2.gz HHBNGGXXAMDUHZ-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879587 1380148275 /nfs/dbraw/zinc/14/82/75/1380148275.db2.gz JYPSNTWJZZWTJB-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001153930696 1380157042 /nfs/dbraw/zinc/15/70/42/1380157042.db2.gz XKLVSYCILZDCIW-XLIONFOSSA-N 2 0 347.547 3.162 20 0 EGADRP CC[N@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154030043 1380186262 /nfs/dbraw/zinc/18/62/62/1380186262.db2.gz VEPKWGVNYNBWHG-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178461 1380222124 /nfs/dbraw/zinc/22/21/24/1380222124.db2.gz JSQYVZOGTOFPSV-DLBZAZTESA-N 2 0 344.503 3.457 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455689 1380280951 /nfs/dbraw/zinc/28/09/51/1380280951.db2.gz ZWILBCDQRDEUPG-LJJUJYJISA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888844 1380373568 /nfs/dbraw/zinc/37/35/68/1380373568.db2.gz WIVDDZSHFUSTDH-HLRDLLSLSA-N 2 0 335.492 3.138 20 0 EGADRP COC(=O)CCCCCCNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001155008520 1380390167 /nfs/dbraw/zinc/39/01/67/1380390167.db2.gz QKDJDKFSXPXBBP-UHFFFAOYSA-N 2 0 349.475 3.090 20 0 EGADRP C[C@@H]1C[C@@H](CNc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001155101530 1380409015 /nfs/dbraw/zinc/40/90/15/1380409015.db2.gz YSFIASBTXKITCK-SJLPKXTDSA-N 2 0 336.483 3.050 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1=CCCCC1)[NH+](CC)CC ZINC001155175597 1380419702 /nfs/dbraw/zinc/41/97/02/1380419702.db2.gz YQGUMKPVBOVBTG-MJGOQNOKSA-N 2 0 337.552 3.434 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1)[NH+](CC)CC ZINC001155174970 1380419782 /nfs/dbraw/zinc/41/97/82/1380419782.db2.gz NRXZYPDFGAPWNX-UYAOXDASSA-N 2 0 347.547 3.442 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180709 1380420277 /nfs/dbraw/zinc/42/02/77/1380420277.db2.gz MPGSROAGKPVCCM-QJPGBWLHSA-N 2 0 325.541 3.290 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)C)[NH+](CC)CC ZINC001155180563 1380420300 /nfs/dbraw/zinc/42/03/00/1380420300.db2.gz FNQPGOVRTUAJEG-QZTJIDSGSA-N 2 0 327.557 3.370 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155225897 1380426401 /nfs/dbraw/zinc/42/64/01/1380426401.db2.gz BWDPMKTYXROSBJ-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001155289681 1380433983 /nfs/dbraw/zinc/43/39/83/1380433983.db2.gz VCJHYPPBEPRJIR-AEFFLSMTSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC001155588132 1380470874 /nfs/dbraw/zinc/47/08/74/1380470874.db2.gz QENODHMITWVGOH-BVBHFADKSA-N 2 0 328.504 3.429 20 0 EGADRP COc1cccc(N(c2[nH+]ccc3c2ccn3C)C2CC[NH2+]CC2)c1 ZINC001155605377 1380472549 /nfs/dbraw/zinc/47/25/49/1380472549.db2.gz WLKNWCJMQBZSSK-UHFFFAOYSA-N 2 0 336.439 3.472 20 0 EGADRP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001155993323 1380511033 /nfs/dbraw/zinc/51/10/33/1380511033.db2.gz HDZBIZSOSJUYBA-UHFFFAOYSA-N 2 0 347.249 3.437 20 0 EGADRP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194582 1380540001 /nfs/dbraw/zinc/54/00/01/1380540001.db2.gz UFNQWHBFSYIOSM-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475785 1380580935 /nfs/dbraw/zinc/58/09/35/1380580935.db2.gz UIGWSKOKJKAAOG-ZWKOTPCHSA-N 2 0 327.557 3.227 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001156609049 1380599678 /nfs/dbraw/zinc/59/96/78/1380599678.db2.gz LULPSJSZJLTDNS-GOSISDBHSA-N 2 0 335.455 3.426 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109764 1380778731 /nfs/dbraw/zinc/77/87/31/1380778731.db2.gz VGPXEGJXQAYUCD-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC001157804208 1381038054 /nfs/dbraw/zinc/03/80/54/1381038054.db2.gz OQWNKUXUGBZDAJ-NEWSRXKRSA-N 2 0 331.504 3.045 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001157886498 1381060462 /nfs/dbraw/zinc/06/04/62/1381060462.db2.gz IFMJJZOIQPGVER-FQEVSTJZSA-N 2 0 345.531 3.108 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)CCCCC1 ZINC001158028267 1381107034 /nfs/dbraw/zinc/10/70/34/1381107034.db2.gz NOWJEJGZNXDUQX-FQEVSTJZSA-N 2 0 335.536 3.058 20 0 EGADRP COc1cccc(N(c2[nH+]c(C)cc3[nH]ccc32)C2CC[NH2+]CC2)n1 ZINC001158053771 1381114093 /nfs/dbraw/zinc/11/40/93/1381114093.db2.gz FLBMJKXLEFZGOM-UHFFFAOYSA-N 2 0 337.427 3.165 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158079670 1381121928 /nfs/dbraw/zinc/12/19/28/1381121928.db2.gz LHRNRBUPFTZCHF-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]C/C=C\c1ccccc1)[NH+]1CCCCC1 ZINC001158073240 1381121616 /nfs/dbraw/zinc/12/16/16/1381121616.db2.gz LTQNURWOBOFKRB-LCYFTJDESA-N 2 0 343.515 3.060 20 0 EGADRP O=C(NCCC[NH2+]CC1=CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158099759 1381127752 /nfs/dbraw/zinc/12/77/52/1381127752.db2.gz SFHWRMKUAHSNPO-LJQANCHMSA-N 2 0 347.547 3.237 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC001158450190 1381249429 /nfs/dbraw/zinc/24/94/29/1381249429.db2.gz NUMSSQDQDMIQTR-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473397 1381256957 /nfs/dbraw/zinc/25/69/57/1381256957.db2.gz LAEDRWNOBSLTOU-PKOBYXMFSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158616328 1381322290 /nfs/dbraw/zinc/32/22/90/1381322290.db2.gz NPNRRTHYLYZOGP-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158645931 1381336110 /nfs/dbraw/zinc/33/61/10/1381336110.db2.gz DPKMZMGVEPMUQV-RRFGBZISSA-N 2 0 349.563 3.388 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158724114 1381368695 /nfs/dbraw/zinc/36/86/95/1381368695.db2.gz ZMPAPVWPGXICNM-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158865433 1381440401 /nfs/dbraw/zinc/44/04/01/1381440401.db2.gz ADGJHXNLQLTLAI-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866133 1381441705 /nfs/dbraw/zinc/44/17/05/1381441705.db2.gz LBPBNQXUUJVAPF-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001328412514 1388740067 /nfs/dbraw/zinc/74/00/67/1388740067.db2.gz CYVMJSZYVOMXLB-VBQJREDUSA-N 2 0 339.911 3.226 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001159335209 1381768287 /nfs/dbraw/zinc/76/82/87/1381768287.db2.gz VJKJRWUAJHHRSG-FQEVSTJZSA-N 2 0 345.531 3.109 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC001328429828 1388744395 /nfs/dbraw/zinc/74/43/95/1388744395.db2.gz YLKMHYQLNQUIJO-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP COc1ccc2c(c1)nc(N[C@@H]([NH3+])CCC[NH3+])cc2-c1ccccc1 ZINC001159786583 1381898821 /nfs/dbraw/zinc/89/88/21/1381898821.db2.gz DZFKYNJRVWFXGL-LJQANCHMSA-N 2 0 336.439 3.346 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc(Cl)nc1Oc1ccccc1Cl ZINC001159789086 1381901142 /nfs/dbraw/zinc/90/11/42/1381901142.db2.gz QBZGTRFPIPBBSZ-GFCCVEGCSA-N 2 0 342.230 3.011 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccccc2N2CC[NH2+]CC2)c1F ZINC001159814463 1381909368 /nfs/dbraw/zinc/90/93/68/1381909368.db2.gz PDABPCXDDYZWCE-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001159907811 1381934680 /nfs/dbraw/zinc/93/46/80/1381934680.db2.gz DCOHSEYQDJDJSP-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001159922583 1381937901 /nfs/dbraw/zinc/93/79/01/1381937901.db2.gz KYCUUHFFTRLLDY-FQEVSTJZSA-N 2 0 341.455 3.111 20 0 EGADRP C[NH+]1CCC(c2ccc(Nc3cccc(N4CC([NH3+])C4)c3)cc2)CC1 ZINC001159989141 1381960743 /nfs/dbraw/zinc/96/07/43/1381960743.db2.gz MLYOEAUKRZQTER-UHFFFAOYSA-N 2 0 336.483 3.387 20 0 EGADRP Nc1cc(F)ccc1N(CC1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]C2 ZINC001160092080 1381994482 /nfs/dbraw/zinc/99/44/82/1381994482.db2.gz FHTXLXXQFBQXTC-UHFFFAOYSA-N 2 0 340.446 3.149 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccc(F)c2N2CC[NH2+]CC2)c1 ZINC001160113874 1382000920 /nfs/dbraw/zinc/00/09/20/1382000920.db2.gz GCAIVYXGMKOQQE-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cc(F)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160134790 1382010440 /nfs/dbraw/zinc/01/04/40/1382010440.db2.gz SUFBPIVHHIVZBV-MRXNPFEDSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c1F ZINC001160171605 1382024323 /nfs/dbraw/zinc/02/43/23/1382024323.db2.gz KJJLAIXJRAHLMJ-OAHLLOKOSA-N 2 0 329.419 3.372 20 0 EGADRP CNc1cc(Nc2cccc(F)c2OCC2CC[NH2+]CC2)cc[nH+]1 ZINC001160196241 1382030186 /nfs/dbraw/zinc/03/01/86/1382030186.db2.gz GFKGRBJHYOMPOV-UHFFFAOYSA-N 2 0 330.407 3.384 20 0 EGADRP O[C@@H](C[NH2+]CCc1ccccc1)c1ccc(NC2=C[NH2+]CCC2)cc1 ZINC001160255175 1382051118 /nfs/dbraw/zinc/05/11/18/1382051118.db2.gz HKIWTNGEBCWMQV-NRFANRHFSA-N 2 0 337.467 3.189 20 0 EGADRP C[NH+](C)CCCn1cc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cn1 ZINC001160256849 1382052032 /nfs/dbraw/zinc/05/20/32/1382052032.db2.gz PGLVVMIJIFCONL-SFHVURJKSA-N 2 0 341.503 3.121 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001160273205 1382058088 /nfs/dbraw/zinc/05/80/88/1382058088.db2.gz JJUXPDPLLLJJKU-RTBURBONSA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360287 1382082258 /nfs/dbraw/zinc/08/22/58/1382082258.db2.gz NIXCEOFNIHYWLL-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](C)C ZINC001160426503 1382100634 /nfs/dbraw/zinc/10/06/34/1382100634.db2.gz GKXNRAKYUCRUCM-FQEVSTJZSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001160427913 1382101164 /nfs/dbraw/zinc/10/11/64/1382101164.db2.gz XNVYIJSGDPMFAR-PBHICJAKSA-N 2 0 339.911 3.083 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160473189 1382117091 /nfs/dbraw/zinc/11/70/91/1382117091.db2.gz HFVDVDSBSIHJRH-OLHLWXQYSA-N 2 0 335.536 3.211 20 0 EGADRP Cc1ccc2nc(Cl)cc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)c2c1 ZINC001160511590 1382127366 /nfs/dbraw/zinc/12/73/66/1382127366.db2.gz PSBYPVAIUJFJDL-SFHVURJKSA-N 2 0 330.863 3.032 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519285 1382130673 /nfs/dbraw/zinc/13/06/73/1382130673.db2.gz YVRBIDQTKFUAFV-HJWRWDBZSA-N 2 0 335.536 3.211 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567804 1382144807 /nfs/dbraw/zinc/14/48/07/1382144807.db2.gz LKLQXCRAOHKBNY-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568445 1382145754 /nfs/dbraw/zinc/14/57/54/1382145754.db2.gz VDFWUHWGYVSEBX-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160618000 1382154157 /nfs/dbraw/zinc/15/41/57/1382154157.db2.gz YJFSNMJRLIOCIA-INIZCTEOSA-N 2 0 340.471 3.132 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001160834910 1382212547 /nfs/dbraw/zinc/21/25/47/1382212547.db2.gz QXKROYYHOWRLCO-MOPGFXCFSA-N 2 0 349.563 3.175 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001292810757 1382215610 /nfs/dbraw/zinc/21/56/10/1382215610.db2.gz SSLTZYHEVZJKIW-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007876 1382269701 /nfs/dbraw/zinc/26/97/01/1382269701.db2.gz FQKBRMRENYMEGT-HKUYNNGSSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161029040 1382276513 /nfs/dbraw/zinc/27/65/13/1382276513.db2.gz KPYMAYLXXAPOHR-GOSISDBHSA-N 2 0 349.563 3.149 20 0 EGADRP CN(C(=O)C[C@@H]([NH3+])c1cccc(Cl)c1Cl)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161061614 1382286612 /nfs/dbraw/zinc/28/66/12/1382286612.db2.gz HULGBSIAAODTSA-BFHYXJOUSA-N 2 0 344.286 3.112 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089318 1382293978 /nfs/dbraw/zinc/29/39/78/1382293978.db2.gz JYOAZSWJVPFTDA-GOSISDBHSA-N 2 0 343.515 3.146 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106936 1382298721 /nfs/dbraw/zinc/29/87/21/1382298721.db2.gz RAMDBOXEUFTJCM-HXUWFJFHSA-N 2 0 343.515 3.228 20 0 EGADRP Cc1cc2[nH]ccc2c(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)[nH+]1 ZINC001161120365 1382306340 /nfs/dbraw/zinc/30/63/40/1382306340.db2.gz VFJSFQIDAXTXFM-UHFFFAOYSA-N 2 0 328.460 3.363 20 0 EGADRP C[NH+](C)Cc1ccnc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c1 ZINC001161180168 1382328911 /nfs/dbraw/zinc/32/89/11/1382328911.db2.gz FAXDLUMQFCIMIH-SFHVURJKSA-N 2 0 344.890 3.483 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161205692 1382340798 /nfs/dbraw/zinc/34/07/98/1382340798.db2.gz FTGAYEHDMWBLGQ-CWHLKURSSA-N 2 0 347.547 3.069 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)C1 ZINC001161212839 1382343854 /nfs/dbraw/zinc/34/38/54/1382343854.db2.gz BOXDCLDRULDSGT-GOSISDBHSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001161214102 1382344928 /nfs/dbraw/zinc/34/49/28/1382344928.db2.gz TXABIDPOVVOPAN-LJQANCHMSA-N 2 0 335.536 3.211 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)C1 ZINC001161220096 1382346927 /nfs/dbraw/zinc/34/69/27/1382346927.db2.gz TZLHJYMCHROLRL-SFHVURJKSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC001161240540 1382351835 /nfs/dbraw/zinc/35/18/35/1382351835.db2.gz WLWXLKWODCWCCE-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001161245708 1382353696 /nfs/dbraw/zinc/35/36/96/1382353696.db2.gz QDHMCLKNIQZCOM-CQSZACIVSA-N 2 0 339.911 3.227 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001161250969 1382354002 /nfs/dbraw/zinc/35/40/02/1382354002.db2.gz FZKGTIZIKKQGRP-UHFFFAOYSA-N 2 0 347.547 3.310 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC001161284883 1382361185 /nfs/dbraw/zinc/36/11/85/1382361185.db2.gz QNRZAXISSPKIKW-GOSISDBHSA-N 2 0 347.503 3.138 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]C/C=C/c2ccccc2)ccc2c[nH+]cn21 ZINC001161559025 1382439613 /nfs/dbraw/zinc/43/96/13/1382439613.db2.gz UUOYOSKNAVVKTR-WEVVVXLNSA-N 2 0 348.450 3.066 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2=CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001161704506 1382485236 /nfs/dbraw/zinc/48/52/36/1382485236.db2.gz BKOFUSFVPKEFTN-LJQANCHMSA-N 2 0 349.563 3.293 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)C1 ZINC001161705891 1382485995 /nfs/dbraw/zinc/48/59/95/1382485995.db2.gz ZESCMIHFYMGIRI-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP CN(C)c1cc[nH+]c(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161822222 1382520997 /nfs/dbraw/zinc/52/09/97/1382520997.db2.gz PXNDZPXRBBMAJA-IBGZPJMESA-N 2 0 328.435 3.440 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC001328641895 1388795256 /nfs/dbraw/zinc/79/52/56/1388795256.db2.gz BSQVBZRQIREYCH-UHFFFAOYSA-N 2 0 348.491 3.329 20 0 EGADRP COc1cccc(CC2([NH3+])CCN(c3ccc(C)c(C)[nH+]3)CC2)c1 ZINC001162048411 1382614079 /nfs/dbraw/zinc/61/40/79/1382614079.db2.gz VBTRNVDZWGPCKE-UHFFFAOYSA-N 2 0 325.456 3.247 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001162455169 1382761373 /nfs/dbraw/zinc/76/13/73/1382761373.db2.gz BYYFMRKYMFEZEO-SJLPKXTDSA-N 2 0 325.500 3.382 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001162456885 1382761859 /nfs/dbraw/zinc/76/18/59/1382761859.db2.gz LGQHPDDVOMUCRH-AEFFLSMTSA-N 2 0 327.516 3.302 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC001162617135 1382810925 /nfs/dbraw/zinc/81/09/25/1382810925.db2.gz BQIYKQDPAVCVKV-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001328694872 1388811352 /nfs/dbraw/zinc/81/13/52/1388811352.db2.gz XXMBIZDKCPVOLD-TZIWHRDSSA-N 2 0 343.515 3.033 20 0 EGADRP CC[NH+](CC)Cc1ccc(Br)cc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162676822 1382829927 /nfs/dbraw/zinc/82/99/27/1382829927.db2.gz XCUKKANHJHGINF-IUODEOHRSA-N 2 0 340.309 3.453 20 0 EGADRP CC[C@H](C(=O)N(CC[NH2+]C[C@@H](C)CC)CCc1ccccc1)[NH+](C)C ZINC001162840944 1382891127 /nfs/dbraw/zinc/89/11/27/1382891127.db2.gz JFMPQKGZERVTLF-AZUAARDMSA-N 2 0 347.547 3.034 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001162908506 1382912268 /nfs/dbraw/zinc/91/22/68/1382912268.db2.gz HIHNXZDGOVPNRE-INIZCTEOSA-N 2 0 334.467 3.055 20 0 EGADRP CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CCC ZINC001162987118 1382938521 /nfs/dbraw/zinc/93/85/21/1382938521.db2.gz KTDFBONWIJHTAD-UHFFFAOYSA-N 2 0 347.547 3.179 20 0 EGADRP Cc1ccc2c(c1)[C@H](Nc1ccc3c(n1)C[NH2+]CC3)CC21CC[NH2+]CC1 ZINC001163032322 1382951737 /nfs/dbraw/zinc/95/17/37/1382951737.db2.gz VDPBESZKQXBPAA-LJQANCHMSA-N 2 0 348.494 3.214 20 0 EGADRP Cc1ccc2c(c1)[C@H](Nc1cc[nH+]c(C)c1F)CC21CC[NH2+]CC1 ZINC001163037399 1382952450 /nfs/dbraw/zinc/95/24/50/1382952450.db2.gz QHNJSMOKNQQVOX-GOSISDBHSA-N 2 0 325.431 3.438 20 0 EGADRP CC(C)[C@H](Nc1cccc(N2CCC([NH3+])CC2)[nH+]1)c1cccnc1 ZINC001163060785 1382958444 /nfs/dbraw/zinc/95/84/44/1382958444.db2.gz PNUZRKUJPWAKMP-IBGZPJMESA-N 2 0 325.460 3.213 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001163275211 1383010511 /nfs/dbraw/zinc/01/05/11/1383010511.db2.gz UHOUVTMBUGWOAA-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)cc1 ZINC001163290103 1383013520 /nfs/dbraw/zinc/01/35/20/1383013520.db2.gz AHFQDPSMIJKLHI-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001163290613 1383013526 /nfs/dbraw/zinc/01/35/26/1383013526.db2.gz KTSXWDWQTWBAFX-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP COCC[N@H+](C)[C@@H](CNc1cc(N)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385401 1383038177 /nfs/dbraw/zinc/03/81/77/1383038177.db2.gz LWZWQAZCBBZEEF-INIZCTEOSA-N 2 0 334.851 3.049 20 0 EGADRP CN(CCC[NH+](C)C)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001163595283 1383085613 /nfs/dbraw/zinc/08/56/13/1383085613.db2.gz DNXDHJHMTDIQQS-UHFFFAOYSA-N 2 0 338.499 3.028 20 0 EGADRP C[C@H]1CCCCN1c1cccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]1 ZINC001163644964 1383094390 /nfs/dbraw/zinc/09/43/90/1383094390.db2.gz OSHNJHAZOQDNKQ-ABSDTBQOSA-N 2 0 344.503 3.174 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001163834380 1383127280 /nfs/dbraw/zinc/12/72/80/1383127280.db2.gz ZXNIDPYOHKAAGN-UHFFFAOYSA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001328736275 1388833952 /nfs/dbraw/zinc/83/39/52/1388833952.db2.gz ILJQUUKRUVJWRN-INIZCTEOSA-N 2 0 337.533 3.002 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165331713 1383274733 /nfs/dbraw/zinc/27/47/33/1383274733.db2.gz ARYCDVDCVJQDPR-OVKVCFKUSA-N 2 0 349.563 3.483 20 0 EGADRP O=C(CCc1c[nH]cn1)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001165383552 1383283194 /nfs/dbraw/zinc/28/31/94/1383283194.db2.gz MGOKXPBXPMVUAD-UHFFFAOYSA-N 2 0 346.519 3.189 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472748 1383300505 /nfs/dbraw/zinc/30/05/05/1383300505.db2.gz RQLDHTPYWAETEO-SFHVURJKSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001165617348 1383315816 /nfs/dbraw/zinc/31/58/16/1383315816.db2.gz LZWMVWRISWTPCU-IBGZPJMESA-N 2 0 349.563 3.339 20 0 EGADRP CC(C)(C)N(c1cc2[nH]ccc2c[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165672980 1383323322 /nfs/dbraw/zinc/32/33/22/1383323322.db2.gz YMOATQAIAMVZTR-OAHLLOKOSA-N 2 0 328.460 3.079 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001165718910 1383331618 /nfs/dbraw/zinc/33/16/18/1383331618.db2.gz SPSZFRRMNRMTNA-CRAIPNDOSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1cc(C)[nH+]c(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)c1 ZINC001165738863 1383336294 /nfs/dbraw/zinc/33/62/94/1383336294.db2.gz ORGITHMCBVSBRM-KRWDZBQOSA-N 2 0 349.438 3.005 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926850 1383365799 /nfs/dbraw/zinc/36/57/99/1383365799.db2.gz GUALLDPZSYOTMF-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)c2cccc3nccn32)CC1 ZINC001166139143 1383394597 /nfs/dbraw/zinc/39/45/97/1383394597.db2.gz ZTXLGMAAVDOPPN-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CC(C)(C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001166544375 1383436148 /nfs/dbraw/zinc/43/61/48/1383436148.db2.gz DEUAHDOTCFXPNZ-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166843067 1383486391 /nfs/dbraw/zinc/48/63/91/1383486391.db2.gz PCAVSRWOBGUVDX-FNYRVFDFSA-N 2 0 349.563 3.339 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CC2(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001166985519 1383509272 /nfs/dbraw/zinc/50/92/72/1383509272.db2.gz ATIHCWWWCPCVQA-QZTJIDSGSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167225760 1383571336 /nfs/dbraw/zinc/57/13/36/1383571336.db2.gz ZVRTYYFCSMSMRJ-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425758 1383629802 /nfs/dbraw/zinc/62/98/02/1383629802.db2.gz JODDEGIBZNWVFC-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167480522 1383646350 /nfs/dbraw/zinc/64/63/50/1383646350.db2.gz JHRJZEQOEUJGGO-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599284 1383685277 /nfs/dbraw/zinc/68/52/77/1383685277.db2.gz DPEFDBPAOXBOLC-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167636328 1383694787 /nfs/dbraw/zinc/69/47/87/1383694787.db2.gz SKIYWOGYDSIULN-ICSRJNTNSA-N 2 0 345.531 3.415 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001167694587 1383713619 /nfs/dbraw/zinc/71/36/19/1383713619.db2.gz NMKGCZPGSARRFL-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001167737677 1383726078 /nfs/dbraw/zinc/72/60/78/1383726078.db2.gz YJTFSQVUTQPROR-LJQANCHMSA-N 2 0 347.547 3.095 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001167783890 1383739707 /nfs/dbraw/zinc/73/97/07/1383739707.db2.gz INFDLAGRHCYSCM-SFHVURJKSA-N 2 0 345.531 3.356 20 0 EGADRP Cc1ccccc1C[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784447 1383740298 /nfs/dbraw/zinc/74/02/98/1383740298.db2.gz TWGDHWOMCFQDRJ-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCC(=O)N2CC2CC2)CC1 ZINC001167823246 1383749317 /nfs/dbraw/zinc/74/93/17/1383749317.db2.gz JZHMCJKQSUJFRB-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167824310 1383749485 /nfs/dbraw/zinc/74/94/85/1383749485.db2.gz DJNSATXRKYMDTL-DLBZAZTESA-N 2 0 341.540 3.438 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001167826524 1383750073 /nfs/dbraw/zinc/75/00/73/1383750073.db2.gz PPYMQHWQPFRALU-LJQANCHMSA-N 2 0 345.531 3.263 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001167826236 1383750273 /nfs/dbraw/zinc/75/02/73/1383750273.db2.gz NASIBMSZHRYPOM-SFHVURJKSA-N 3 0 349.567 3.049 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001167828098 1383751183 /nfs/dbraw/zinc/75/11/83/1383751183.db2.gz WIOYYTDYOGBTAN-UTKZUKDTSA-N 2 0 343.515 3.117 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2ncncc2C)CC1 ZINC001167835277 1383754228 /nfs/dbraw/zinc/75/42/28/1383754228.db2.gz QPQDRJYGKWZVDZ-QGZVFWFLSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1ncccc1C)C1CC[NH2+]CC1 ZINC001167836385 1383755194 /nfs/dbraw/zinc/75/51/94/1383755194.db2.gz ZDHPTULVWHTSFW-GOSISDBHSA-N 2 0 332.536 3.459 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2cc(Cl)ccn2)CC1 ZINC001167838229 1383756140 /nfs/dbraw/zinc/75/61/40/1383756140.db2.gz SGPPCCYNGLFCLZ-MRXNPFEDSA-N 2 0 338.927 3.368 20 0 EGADRP COC(=O)c1cccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001167919294 1383770013 /nfs/dbraw/zinc/77/00/13/1383770013.db2.gz XPOZYNJPGPDAJG-JSYLVRCQSA-N 2 0 342.483 3.344 20 0 EGADRP OC12C[C@@H]3C[C@H](C1)CC([NH2+]C1C[C@H]4CC[C@@H](C1)[N@H+]4CC1CC1)(C3)C2 ZINC001167964513 1383780921 /nfs/dbraw/zinc/78/09/21/1383780921.db2.gz RNDQJTXCWHCBJV-UJUABLLUSA-N 2 0 330.516 3.065 20 0 EGADRP CC(C)(C)OC(=O)NC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167966580 1383781822 /nfs/dbraw/zinc/78/18/22/1383781822.db2.gz WQLDRYFGKZQVEO-ALOPSCKCSA-N 2 0 349.519 3.039 20 0 EGADRP COC(=O)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCCC1 ZINC001167971244 1383782571 /nfs/dbraw/zinc/78/25/71/1383782571.db2.gz UUVMTDMUDJJMLF-YQQQUEKLSA-N 2 0 348.531 3.495 20 0 EGADRP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1 ZINC001167973095 1383782651 /nfs/dbraw/zinc/78/26/51/1383782651.db2.gz GLTUFOQHTPWOJS-AYHJJNSGSA-N 2 0 332.463 3.372 20 0 EGADRP CCOC(=O)C1(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011768 1383796605 /nfs/dbraw/zinc/79/66/05/1383796605.db2.gz SDJPYVWYHBCYPF-IRXDYDNUSA-N 2 0 344.499 3.361 20 0 EGADRP CC[N@@H+]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC001168066275 1383809043 /nfs/dbraw/zinc/80/90/43/1383809043.db2.gz MOANYJOKLRZWTF-GUDVDZBRSA-N 2 0 329.532 3.454 20 0 EGADRP CC1(Nc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)CC[NH2+]CC1 ZINC001168186885 1383838819 /nfs/dbraw/zinc/83/88/19/1383838819.db2.gz JXRSZPDCRORKPR-UHFFFAOYSA-N 2 0 340.393 3.031 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH+]1CCC(C3CC[NH+](C)CC3)CC1)C2 ZINC001168279053 1383860961 /nfs/dbraw/zinc/86/09/61/1383860961.db2.gz HXZZZOPREUHHGF-HXUWFJFHSA-N 2 0 328.500 3.216 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168297803 1383866361 /nfs/dbraw/zinc/86/63/61/1383866361.db2.gz XMSOCMBAZRNQKS-HDICACEKSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168314120 1383870982 /nfs/dbraw/zinc/87/09/82/1383870982.db2.gz KBCOSIZJJYHGMH-KLAILNCOSA-N 2 0 339.524 3.191 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CC2(CCNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001168320780 1383872634 /nfs/dbraw/zinc/87/26/34/1383872634.db2.gz ORBIEINHKTXCKP-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(CCNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001168344371 1383879177 /nfs/dbraw/zinc/87/91/77/1383879177.db2.gz AKEAXMYZMLXPHS-SFHVURJKSA-N 2 0 345.531 3.272 20 0 EGADRP C[C@H]1CN(C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001168389448 1383892731 /nfs/dbraw/zinc/89/27/31/1383892731.db2.gz QPFLTOXCXSYNQE-SFHVURJKSA-N 2 0 327.516 3.067 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168433909 1383905247 /nfs/dbraw/zinc/90/52/47/1383905247.db2.gz KADXKGREQOMEJF-QGZVFWFLSA-N 2 0 333.520 3.140 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001168434266 1383905389 /nfs/dbraw/zinc/90/53/89/1383905389.db2.gz OIGWLENAZSDVII-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001306884025 1383915072 /nfs/dbraw/zinc/91/50/72/1383915072.db2.gz POKBUUNOUYBLIJ-OALUTQOASA-N 2 0 343.515 3.012 20 0 EGADRP COC(=O)C1(C)CCC([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001168789928 1384004827 /nfs/dbraw/zinc/00/48/27/1384004827.db2.gz ROASGJDXGHGETC-AGYKMIKPSA-N 2 0 336.520 3.447 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168806269 1384013695 /nfs/dbraw/zinc/01/36/95/1384013695.db2.gz KTIOMMOYOULHJH-HOTGVXAUSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168812048 1384015338 /nfs/dbraw/zinc/01/53/38/1384015338.db2.gz PHAPXFHUNFCPNB-BRWVUGGUSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001168828517 1384022241 /nfs/dbraw/zinc/02/22/41/1384022241.db2.gz HLGDCQQXWPTIFH-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1)C2 ZINC001169109107 1384108336 /nfs/dbraw/zinc/10/83/36/1384108336.db2.gz YKXSIGLNPDXVEW-PHZGNYQRSA-N 2 0 337.508 3.039 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001169109424 1384108719 /nfs/dbraw/zinc/10/87/19/1384108719.db2.gz IFVQSXZNTFSAGD-WCVJEAGWSA-N 2 0 327.447 3.394 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3)CCOCC1)C2 ZINC001169109526 1384108842 /nfs/dbraw/zinc/10/88/42/1384108842.db2.gz CQCFHGOXVVTHRF-OWZKRDHZSA-N 2 0 328.500 3.241 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C3CCCCC3)CC1)C2 ZINC001169118039 1384109040 /nfs/dbraw/zinc/10/90/40/1384109040.db2.gz CGWPLHBYMDCROZ-CCQCEHTISA-N 2 0 347.547 3.209 20 0 EGADRP COc1cccc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169139309 1384112528 /nfs/dbraw/zinc/11/25/28/1384112528.db2.gz AZYSUIODSJNHIX-XLSPSMHOSA-N 2 0 330.472 3.164 20 0 EGADRP CN(C)c1ccccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001308247683 1384112813 /nfs/dbraw/zinc/11/28/13/1384112813.db2.gz ZTVJQJXRMMFPDQ-HXUWFJFHSA-N 2 0 337.511 3.407 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]([C@@H]3CCCc4ccccc43)CC1)C2 ZINC001169156426 1384116710 /nfs/dbraw/zinc/11/67/10/1384116710.db2.gz YDQFOQPZHHOARA-XAPVIXHLSA-N 2 0 339.527 3.307 20 0 EGADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)CC1CC[NH+](CC)CC1 ZINC001308612340 1384136490 /nfs/dbraw/zinc/13/64/90/1384136490.db2.gz YJEFMSLVNKRVCI-UHFFFAOYSA-N 2 0 344.547 3.352 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC001308640841 1384138420 /nfs/dbraw/zinc/13/84/20/1384138420.db2.gz HWFQBBCGCKUMJJ-HNNXBMFYSA-N 2 0 339.886 3.379 20 0 EGADRP O=C(c1ccccc1)N1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC001169737555 1384180428 /nfs/dbraw/zinc/18/04/28/1384180428.db2.gz VJIWSZUPBQRHCO-FQEVSTJZSA-N 2 0 343.515 3.147 20 0 EGADRP [NH3+]CCc1cn([C@@H]2CCCN(C(=O)c3ccccc3)C2)c2cc[nH+]cc12 ZINC001169744206 1384181568 /nfs/dbraw/zinc/18/15/68/1384181568.db2.gz HZZBBNUSHPTRGN-GOSISDBHSA-N 2 0 348.450 3.015 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809580 1384187732 /nfs/dbraw/zinc/18/77/32/1384187732.db2.gz JBFCZBMKQSEXMU-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCC2)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926352 1384199186 /nfs/dbraw/zinc/19/91/86/1384199186.db2.gz CQIICRYLUVWWFT-GUDVDZBRSA-N 2 0 336.520 3.434 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](C3CC(C)(C)N(O)C(C)(C)C3)CC2)CC1 ZINC001170002404 1384215065 /nfs/dbraw/zinc/21/50/65/1384215065.db2.gz BTVNRRJDCMMSHT-UHFFFAOYSA-N 2 0 337.552 3.451 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001170211959 1384266211 /nfs/dbraw/zinc/26/62/11/1384266211.db2.gz TZINJARNJSNKAF-UHFFFAOYSA-N 2 0 341.499 3.086 20 0 EGADRP CC[NH+](CC)CC[C@@H](C)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001311435579 1384282668 /nfs/dbraw/zinc/28/26/68/1384282668.db2.gz ZYGCSJPEMVJHHJ-QGZVFWFLSA-N 2 0 340.556 3.061 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H](CC)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001170456045 1384324197 /nfs/dbraw/zinc/32/41/97/1384324197.db2.gz NHICOGJUWCYFFN-FGTMMUONSA-N 2 0 330.472 3.010 20 0 EGADRP CCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001170597707 1384347206 /nfs/dbraw/zinc/34/72/06/1384347206.db2.gz DSAITMITWGVSTO-HSALFYBXSA-N 2 0 340.552 3.405 20 0 EGADRP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)C[C@@H]21 ZINC001170726368 1384374149 /nfs/dbraw/zinc/37/41/49/1384374149.db2.gz DORJGWNKJXZNCY-RSMWHSHJSA-N 2 0 345.575 3.349 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170770414 1384383050 /nfs/dbraw/zinc/38/30/50/1384383050.db2.gz WEKSFWJEZJFLOI-SFHVURJKSA-N 2 0 337.552 3.482 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001170784904 1384384262 /nfs/dbraw/zinc/38/42/62/1384384262.db2.gz MFDBXRIFBTYXED-LJQANCHMSA-N 2 0 335.536 3.237 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001170784834 1384384779 /nfs/dbraw/zinc/38/47/79/1384384779.db2.gz LLVJMRCXCDDVBV-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170817105 1384390868 /nfs/dbraw/zinc/39/08/68/1384390868.db2.gz KVJBFKKPLIZNBQ-PXNSSMCTSA-N 2 0 347.547 3.093 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820118 1384391606 /nfs/dbraw/zinc/39/16/06/1384391606.db2.gz WYPJDIHMXAFQRM-RJOJHWARSA-N 2 0 349.563 3.339 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170821158 1384392496 /nfs/dbraw/zinc/39/24/96/1384392496.db2.gz ZVUGOGXIRGTMEY-APWZRJJASA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCCC[NH2+]CC1CCCCC1)c1ccccc1 ZINC001170830548 1384393965 /nfs/dbraw/zinc/39/39/65/1384393965.db2.gz YPVBFUWELJDMPN-NRFANRHFSA-N 2 0 345.531 3.140 20 0 EGADRP Cc1sc2nc(-c3ccccc3)nc(N[C@@H]([NH3+])CCC[NH3+])c2c1C ZINC001170896563 1384407272 /nfs/dbraw/zinc/40/72/72/1384407272.db2.gz HFEMNZJTTABMED-CQSZACIVSA-N 2 0 341.484 3.411 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171069293 1384440863 /nfs/dbraw/zinc/44/08/63/1384440863.db2.gz NXUSEBOKMBALJA-CWDJHMJFSA-N 2 0 343.531 3.287 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001171160286 1384457633 /nfs/dbraw/zinc/45/76/33/1384457633.db2.gz FOLBXZYNIAEFKI-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001171160572 1384457645 /nfs/dbraw/zinc/45/76/45/1384457645.db2.gz GXGQIEFWWJTNEC-WOJBJXKFSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC001171173628 1384460791 /nfs/dbraw/zinc/46/07/91/1384460791.db2.gz CUQFNCYUOYJBTH-WOJBJXKFSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246611 1384477517 /nfs/dbraw/zinc/47/75/17/1384477517.db2.gz GHWBALMWGNSKQP-XLIONFOSSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](CCCC[NH2+]CCCF)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248059 1384478396 /nfs/dbraw/zinc/47/83/96/1384478396.db2.gz QIOKEDFLSDTTHF-SJLPKXTDSA-N 2 0 341.515 3.018 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254810 1384479761 /nfs/dbraw/zinc/47/97/61/1384479761.db2.gz UNYGDMKBYMPHPC-IPLHWJFFSA-N 2 0 337.552 3.482 20 0 EGADRP c1ccc(N2CC[NH2+]CC2)c(CNc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001171285096 1384485671 /nfs/dbraw/zinc/48/56/71/1384485671.db2.gz GGUSHIXBMZBLEO-HXUWFJFHSA-N 2 0 336.483 3.133 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@H]2C1 ZINC001171332824 1384496838 /nfs/dbraw/zinc/49/68/38/1384496838.db2.gz IVEXEEGXHZHCJR-RBSFLKMASA-N 2 0 334.891 3.089 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001171358884 1384501314 /nfs/dbraw/zinc/50/13/14/1384501314.db2.gz MPIHXCSWIFHKHS-MJGOQNOKSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001171362186 1384502578 /nfs/dbraw/zinc/50/25/78/1384502578.db2.gz KUTWRQLMMASBSH-IRXDYDNUSA-N 2 0 346.519 3.074 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC001171500245 1384543142 /nfs/dbraw/zinc/54/31/42/1384543142.db2.gz JLCHPNRFQBWMOU-AZUAARDMSA-N 2 0 347.547 3.408 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171537537 1384555787 /nfs/dbraw/zinc/55/57/87/1384555787.db2.gz DSKVHJFYMFSIJH-QUCCMNQESA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171545692 1384558625 /nfs/dbraw/zinc/55/86/25/1384558625.db2.gz FWCPBUKWPIVKDT-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171547167 1384559006 /nfs/dbraw/zinc/55/90/06/1384559006.db2.gz RWJNHWOWVSXQNB-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001171616835 1384581177 /nfs/dbraw/zinc/58/11/77/1384581177.db2.gz XKDFYBJGWHKLSZ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171630014 1384586236 /nfs/dbraw/zinc/58/62/36/1384586236.db2.gz VNENYYXCTWTZMP-OAHLLOKOSA-N 2 0 330.476 3.321 20 0 EGADRP CC(C)C(=O)N1CC[C@@H]2C[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@@H]21 ZINC001171637252 1384587704 /nfs/dbraw/zinc/58/77/04/1384587704.db2.gz LLJFBSZCSKPTCI-AEFFLSMTSA-N 2 0 349.563 3.217 20 0 EGADRP COc1cccc(O[C@H]2CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640793 1384590190 /nfs/dbraw/zinc/59/01/90/1384590190.db2.gz JICXZRPRADOXPJ-INIZCTEOSA-N 2 0 347.503 3.195 20 0 EGADRP CCc1noc([C@@H]2CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171643925 1384590434 /nfs/dbraw/zinc/59/04/34/1384590434.db2.gz XYMQBNFGPPWIOI-CQSZACIVSA-N 2 0 334.508 3.463 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171668168 1384596321 /nfs/dbraw/zinc/59/63/21/1384596321.db2.gz BYLMJYMBDWOAFS-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001171726159 1384614757 /nfs/dbraw/zinc/61/47/57/1384614757.db2.gz WZJLEUGEHXMUNG-UHFFFAOYSA-N 2 0 347.547 3.312 20 0 EGADRP Cc1ncn([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001171728935 1384615460 /nfs/dbraw/zinc/61/54/60/1384615460.db2.gz SFMCMCJARIYNTG-MAUKXSAKSA-N 2 0 344.528 3.219 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001171732093 1384618371 /nfs/dbraw/zinc/61/83/71/1384618371.db2.gz UTMMAKUWQITKCE-QGZVFWFLSA-N 2 0 345.531 3.064 20 0 EGADRP CC(C)N([C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171766739 1384630518 /nfs/dbraw/zinc/63/05/18/1384630518.db2.gz HCBIOLSCOWQVEH-RXVVDRJESA-N 2 0 329.532 3.454 20 0 EGADRP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171873292 1384667184 /nfs/dbraw/zinc/66/71/84/1384667184.db2.gz LPCPWLUMBOKKSH-GOSISDBHSA-N 2 0 331.504 3.001 20 0 EGADRP C[C@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929164 1384685635 /nfs/dbraw/zinc/68/56/35/1384685635.db2.gz HPAWCHYHNZXATK-IRXDYDNUSA-N 2 0 343.531 3.264 20 0 EGADRP CNC(=O)[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C ZINC001171977270 1384700590 /nfs/dbraw/zinc/70/05/90/1384700590.db2.gz ZWVCMQBFOBTNJQ-QZTJIDSGSA-N 2 0 345.531 3.180 20 0 EGADRP CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977811 1384702025 /nfs/dbraw/zinc/70/20/25/1384702025.db2.gz DKQXNFFUZMBHTL-OALUTQOASA-N 2 0 343.515 3.030 20 0 EGADRP Cc1noc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172062384 1384714665 /nfs/dbraw/zinc/71/46/65/1384714665.db2.gz NHUJHEJFJYTYLP-REPLKXPHSA-N 2 0 340.471 3.096 20 0 EGADRP CC(C)[C@@](C)([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172066285 1384716606 /nfs/dbraw/zinc/71/66/06/1384716606.db2.gz UUSJJUWYYGJIJG-RCLSDMTESA-N 2 0 343.515 3.062 20 0 EGADRP CC(=O)NCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078333 1384721499 /nfs/dbraw/zinc/72/14/99/1384721499.db2.gz YMRMHXKVKYELRY-WKCHPHFGSA-N 2 0 343.515 3.078 20 0 EGADRP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001172086334 1384723377 /nfs/dbraw/zinc/72/33/77/1384723377.db2.gz BADQCCLHDFQCDL-VIQHNZTISA-N 2 0 337.508 3.167 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172099469 1384727372 /nfs/dbraw/zinc/72/73/72/1384727372.db2.gz IEUKALVAAIGJBW-MZADTFQBSA-N 2 0 327.516 3.256 20 0 EGADRP CN(CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172108185 1384728177 /nfs/dbraw/zinc/72/81/77/1384728177.db2.gz RJFWUUBPQXCTMV-BJWYYQGGSA-N 2 0 339.524 3.238 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3cccnc3)CCOCC1)C2 ZINC001172113477 1384731663 /nfs/dbraw/zinc/73/16/63/1384731663.db2.gz HOAPFVDDVGVNSI-OWZKRDHZSA-N 2 0 343.515 3.026 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172116663 1384732530 /nfs/dbraw/zinc/73/25/30/1384732530.db2.gz BRBWNAPRQAQEDX-FVQHAEBGSA-N 2 0 349.519 3.087 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CCN(Cc4ccccc4)[C@@H]3C1)C2 ZINC001172123923 1384734414 /nfs/dbraw/zinc/73/44/14/1384734414.db2.gz HQWJDOGIHCNNHL-LXHROKJGSA-N 2 0 339.527 3.208 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172121282 1384734866 /nfs/dbraw/zinc/73/48/66/1384734866.db2.gz DGUOBMKSXSMFFM-AYWYSENESA-N 2 0 327.516 3.381 20 0 EGADRP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172132414 1384737460 /nfs/dbraw/zinc/73/74/60/1384737460.db2.gz KTHVPVKMHZIDIJ-YDZRNGNQSA-N 2 0 329.488 3.249 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133252 1384738180 /nfs/dbraw/zinc/73/81/80/1384738180.db2.gz QLJJZUJGSPXOTQ-JNVSZQSJSA-N 2 0 325.500 3.070 20 0 EGADRP CN(C)C[C@@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)C12CC3CC(CC(C3)C1)C2 ZINC001172236180 1384753531 /nfs/dbraw/zinc/75/35/31/1384753531.db2.gz HLCVENGFGNXCFD-WDEJKIRISA-N 2 0 330.516 3.209 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC001172246923 1384755711 /nfs/dbraw/zinc/75/57/11/1384755711.db2.gz DHBUPOSKJKNOQB-UHFFFAOYSA-N 2 0 326.484 3.473 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001172319173 1384768607 /nfs/dbraw/zinc/76/86/07/1384768607.db2.gz OYPKQFAQELPTHV-MOPGFXCFSA-N 2 0 347.547 3.117 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001172320324 1384769616 /nfs/dbraw/zinc/76/96/16/1384769616.db2.gz WYKIZZQSRMAKAJ-ROUUACIJSA-N 2 0 333.520 3.122 20 0 EGADRP CC(C)COCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172466831 1384798416 /nfs/dbraw/zinc/79/84/16/1384798416.db2.gz GJARUYOUZKPMAF-GOSISDBHSA-N 2 0 333.520 3.334 20 0 EGADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)O1 ZINC001172541177 1384810060 /nfs/dbraw/zinc/81/00/60/1384810060.db2.gz UXPNISWNGDRRAC-LASHMREHSA-N 2 0 332.488 3.027 20 0 EGADRP CN(C)C1(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC001172538265 1384810085 /nfs/dbraw/zinc/81/00/85/1384810085.db2.gz OAYVVQNUTDTLRB-UXHICEINSA-N 2 0 329.532 3.328 20 0 EGADRP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001172713759 1384835349 /nfs/dbraw/zinc/83/53/49/1384835349.db2.gz ZHWBOABAECBLGM-FHWLQOOXSA-N 2 0 334.891 3.040 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172757173 1384845460 /nfs/dbraw/zinc/84/54/60/1384845460.db2.gz UIIRYVWYNZCVGG-IEBWSBKVSA-N 2 0 332.488 3.218 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1Cl ZINC001317082067 1384845637 /nfs/dbraw/zinc/84/56/37/1384845637.db2.gz IRZPQLHXSCJAPG-KKUMJFAQSA-N 2 0 349.906 3.122 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001172767534 1384847389 /nfs/dbraw/zinc/84/73/89/1384847389.db2.gz HLQMIVOZXKWTJZ-VAMGGRTRSA-N 2 0 344.499 3.220 20 0 EGADRP CC(C)[NH+]1CCN(CC[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172856681 1384866236 /nfs/dbraw/zinc/86/62/36/1384866236.db2.gz MFZNMIFXFXIBOH-HNNXBMFYSA-N 2 0 341.902 3.026 20 0 EGADRP C[C@@H](CSc1ccc(Cl)cc1)N(CC[NH+](C)C)CC[NH+](C)C ZINC001172876359 1384870704 /nfs/dbraw/zinc/87/07/04/1384870704.db2.gz AYFAOMZURUKOIO-HNNXBMFYSA-N 2 0 343.968 3.246 20 0 EGADRP CO[C@H]1CCC[C@@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)C1 ZINC001172914351 1384876610 /nfs/dbraw/zinc/87/66/10/1384876610.db2.gz BMKRVPQWWPGPJW-CABCVRRESA-N 2 0 326.506 3.122 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944697 1384885497 /nfs/dbraw/zinc/88/54/97/1384885497.db2.gz YKGNMPULMQPLSJ-MRXNPFEDSA-N 2 0 329.529 3.344 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172965213 1384891766 /nfs/dbraw/zinc/89/17/66/1384891766.db2.gz YZEYRARLXGMLNV-IRXDYDNUSA-N 2 0 341.540 3.473 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173043119 1384899361 /nfs/dbraw/zinc/89/93/61/1384899361.db2.gz VIHKJAYHMLKTDK-UHFFFAOYSA-N 2 0 339.568 3.201 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001173105076 1384915588 /nfs/dbraw/zinc/91/55/88/1384915588.db2.gz ZRCWCPVUVLXFJZ-JTTJXQCZSA-N 2 0 326.431 3.241 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCC(=O)N2CCc3ccccc32)CC1 ZINC001173103178 1384915729 /nfs/dbraw/zinc/91/57/29/1384915729.db2.gz FKBFXGRSOKUIJI-UHFFFAOYSA-N 2 0 343.515 3.208 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC001173107006 1384916039 /nfs/dbraw/zinc/91/60/39/1384916039.db2.gz HWRFEWWVFLSKKW-UHFFFAOYSA-N 2 0 332.488 3.475 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC001173108040 1384916380 /nfs/dbraw/zinc/91/63/80/1384916380.db2.gz CBQDJJKNQPQZEG-UHFFFAOYSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)CC1 ZINC001173112569 1384916865 /nfs/dbraw/zinc/91/68/65/1384916865.db2.gz AHYKBILNDOOMQJ-CTWPCTMYSA-N 2 0 331.504 3.496 20 0 EGADRP CC(C)(C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2ncsc2C1 ZINC001173135535 1384921672 /nfs/dbraw/zinc/92/16/72/1384921672.db2.gz MWIXRKABZHYQGR-GJZGRUSLSA-N 2 0 349.544 3.012 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317167428 1384931774 /nfs/dbraw/zinc/93/17/74/1384931774.db2.gz QHWMRZAUOYCCSL-PKOBYXMFSA-N 2 0 345.531 3.236 20 0 EGADRP [NH3+]CCCOCCOCCC[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173350389 1384963723 /nfs/dbraw/zinc/96/37/23/1384963723.db2.gz WLLPXNCDZZQLPF-SFHVURJKSA-N 2 0 326.525 3.241 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC001317220971 1385001440 /nfs/dbraw/zinc/00/14/40/1385001440.db2.gz QFKHEZVRURCWIQ-UHFFFAOYSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H]1CC([NH2+]C(C)(C)C(C)(C)[NH3+])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173677108 1385001686 /nfs/dbraw/zinc/00/16/86/1385001686.db2.gz AFIWYOUZXRBAMZ-CHWSQXEVSA-N 2 0 327.513 3.268 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001173931187 1385033122 /nfs/dbraw/zinc/03/31/22/1385033122.db2.gz GLVUVOGQFUCHJB-UHFFFAOYSA-N 2 0 342.462 3.383 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001174705659 1385137436 /nfs/dbraw/zinc/13/74/36/1385137436.db2.gz KWRWYGLNMRWAMZ-RNGOSCCFSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001317469150 1385163395 /nfs/dbraw/zinc/16/33/95/1385163395.db2.gz AUXXUSVZELNFEM-QGZVFWFLSA-N 2 0 349.494 3.201 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C)C1 ZINC001174882819 1385164875 /nfs/dbraw/zinc/16/48/75/1385164875.db2.gz XOPJIEBZRVMDCR-OALUTQOASA-N 2 0 337.552 3.339 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001174882607 1385165019 /nfs/dbraw/zinc/16/50/19/1385165019.db2.gz UPMGDIQVZVJGRI-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174947998 1385173068 /nfs/dbraw/zinc/17/30/68/1385173068.db2.gz HDDZUPWQHRIWOS-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949113 1385173370 /nfs/dbraw/zinc/17/33/70/1385173370.db2.gz QEMSTRQSJKJFBI-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)cc1C ZINC001174960713 1385174878 /nfs/dbraw/zinc/17/48/78/1385174878.db2.gz IFFPIRJBJWLFKJ-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC001175256920 1385230577 /nfs/dbraw/zinc/23/05/77/1385230577.db2.gz QNMBMCIBEYFFGB-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175265513 1385235397 /nfs/dbraw/zinc/23/53/97/1385235397.db2.gz YZHCTVNKPCSCMH-VQIMIIECSA-N 2 0 343.531 3.264 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175274012 1385237762 /nfs/dbraw/zinc/23/77/62/1385237762.db2.gz ZZIXKJPRZSJSDI-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175297299 1385242599 /nfs/dbraw/zinc/24/25/99/1385242599.db2.gz SZIOPBBSZATPNW-LJQANCHMSA-N 2 0 347.547 3.082 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581609 1385338833 /nfs/dbraw/zinc/33/88/33/1385338833.db2.gz OYYLHUHZOVTYGL-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175871887 1385426247 /nfs/dbraw/zinc/42/62/47/1385426247.db2.gz DDKUKVCPXFKIJN-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175872419 1385427079 /nfs/dbraw/zinc/42/70/79/1385427079.db2.gz HNPWGNARFPVZAY-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967887 1385447842 /nfs/dbraw/zinc/44/78/42/1385447842.db2.gz OVLLORLUYBMILP-ROUUACIJSA-N 2 0 339.568 3.418 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175968074 1385448370 /nfs/dbraw/zinc/44/83/70/1385448370.db2.gz UONRTJDLHBTWFJ-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175968266 1385448408 /nfs/dbraw/zinc/44/84/08/1385448408.db2.gz XXYRIVFCVOIOFU-SFHVURJKSA-N 2 0 337.552 3.338 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001317770042 1385461321 /nfs/dbraw/zinc/46/13/21/1385461321.db2.gz NPLVNELJHSDYNV-UXHICEINSA-N 2 0 345.531 3.148 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176022579 1385463733 /nfs/dbraw/zinc/46/37/33/1385463733.db2.gz BWGUSQHJMSHATJ-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC001176118998 1385488293 /nfs/dbraw/zinc/48/82/93/1385488293.db2.gz WLFBYLBRVUTWPV-KRWDZBQOSA-N 2 0 339.483 3.093 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164338 1385500075 /nfs/dbraw/zinc/50/00/75/1385500075.db2.gz ARXNNZDLXXGMOO-DLBZAZTESA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165195 1385500587 /nfs/dbraw/zinc/50/05/87/1385500587.db2.gz JCTUIEDACJPGBW-OXUXSNCKSA-N 2 0 337.552 3.339 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176166145 1385501075 /nfs/dbraw/zinc/50/10/75/1385501075.db2.gz QCDGAJLVEUTYSI-RTBURBONSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176183408 1385503940 /nfs/dbraw/zinc/50/39/40/1385503940.db2.gz BHVUCZZRHYWOJI-JLAWEPINSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184968 1385504863 /nfs/dbraw/zinc/50/48/63/1385504863.db2.gz QRWUCAKJBBBREM-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184992 1385504885 /nfs/dbraw/zinc/50/48/85/1385504885.db2.gz RDUZGRIMKIZGPT-DUMMIQTOSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192260 1385507039 /nfs/dbraw/zinc/50/70/39/1385507039.db2.gz GXIYHAFCAIISTQ-AQFXKWCLSA-N 2 0 346.519 3.072 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176269458 1385532476 /nfs/dbraw/zinc/53/24/76/1385532476.db2.gz TZDLOFMNLHBUKI-HNNXBMFYSA-N 2 0 347.494 3.028 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267851 1385532735 /nfs/dbraw/zinc/53/27/35/1385532735.db2.gz GIQKNJRUJQQHSF-LKGOPFMKSA-N 2 0 325.541 3.339 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001176564859 1385626213 /nfs/dbraw/zinc/62/62/13/1385626213.db2.gz SAGWSCMUKYGUAP-RTBURBONSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176583927 1385632173 /nfs/dbraw/zinc/63/21/73/1385632173.db2.gz ZTKYIDHPPOQPJT-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176753024 1385683355 /nfs/dbraw/zinc/68/33/55/1385683355.db2.gz CFWIJFRKRPNUIW-SFHVURJKSA-N 2 0 333.520 3.100 20 0 EGADRP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)cs1 ZINC001176753728 1385684236 /nfs/dbraw/zinc/68/42/36/1385684236.db2.gz LSTMHPHURORTGA-HNNXBMFYSA-N 2 0 339.549 3.161 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001176754676 1385684867 /nfs/dbraw/zinc/68/48/67/1385684867.db2.gz XXZKXSPILGZYKP-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760076 1385686841 /nfs/dbraw/zinc/68/68/41/1385686841.db2.gz POCIEZYUZWYIAV-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176813735 1385710814 /nfs/dbraw/zinc/71/08/14/1385710814.db2.gz BAKGVTGMPPADRM-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176813732 1385711101 /nfs/dbraw/zinc/71/11/01/1385711101.db2.gz BAKGVTGMPPADRM-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884371 1385730988 /nfs/dbraw/zinc/73/09/88/1385730988.db2.gz DVUNPRCTAHPXIS-GOSISDBHSA-N 2 0 331.504 3.028 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CCC2CCCC2)c1 ZINC001176889864 1385734183 /nfs/dbraw/zinc/73/41/83/1385734183.db2.gz GTRWONYEUQMRQW-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001176937309 1385748221 /nfs/dbraw/zinc/74/82/21/1385748221.db2.gz ILKVUBJTRBGSLE-IBGZPJMESA-N 2 0 331.504 3.110 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001176937250 1385748677 /nfs/dbraw/zinc/74/86/77/1385748677.db2.gz HKRULRPIDYMMAM-LJQANCHMSA-N 2 0 345.531 3.336 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997614 1385769101 /nfs/dbraw/zinc/76/91/01/1385769101.db2.gz UARHXDIUPCUBOT-RTBURBONSA-N 2 0 339.568 3.275 20 0 EGADRP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177266338 1385889940 /nfs/dbraw/zinc/88/99/40/1385889940.db2.gz DWLZULNUUCRBOT-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001177328245 1385915980 /nfs/dbraw/zinc/91/59/80/1385915980.db2.gz DQIFZBUKZBYNIY-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2CC[NH+](CCCC3CCC3)CC2)CCC1 ZINC001319020483 1385930240 /nfs/dbraw/zinc/93/02/40/1385930240.db2.gz DKEJQFGCQKIAKH-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC001177416563 1385949488 /nfs/dbraw/zinc/94/94/88/1385949488.db2.gz SBURKPHMWDGVKO-SFHLNBCPSA-N 2 0 329.532 3.219 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001177434276 1385956268 /nfs/dbraw/zinc/95/62/68/1385956268.db2.gz UGASBPXBQHWXAS-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001177440143 1385957588 /nfs/dbraw/zinc/95/75/88/1385957588.db2.gz AFFBSYMLVZIBEC-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177456347 1385962282 /nfs/dbraw/zinc/96/22/82/1385962282.db2.gz RDKRGPLRGRNWMX-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+]1CCCC1 ZINC001177484913 1385974392 /nfs/dbraw/zinc/97/43/92/1385974392.db2.gz NDEPOHSJGAJOTQ-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001319588198 1386191745 /nfs/dbraw/zinc/19/17/45/1386191745.db2.gz CPXYKEGCBYMDGR-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001319588903 1386192286 /nfs/dbraw/zinc/19/22/86/1386192286.db2.gz GDKWDBAJQBGJLB-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178468145 1386226548 /nfs/dbraw/zinc/22/65/48/1386226548.db2.gz PJXZKGCHFOOBDC-ZMBJWTFHSA-N 2 0 337.552 3.482 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178484344 1386231880 /nfs/dbraw/zinc/23/18/80/1386231880.db2.gz SVAFCHGNPISVTG-OALUTQOASA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)(C(=O)NCCCCCC[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001178487377 1386232561 /nfs/dbraw/zinc/23/25/61/1386232561.db2.gz RCCUUZWLGYUZQD-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178612205 1386262647 /nfs/dbraw/zinc/26/26/47/1386262647.db2.gz KQCBRUQZQJCYDD-SFHVURJKSA-N 2 0 343.531 3.123 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178618134 1386263476 /nfs/dbraw/zinc/26/34/76/1386263476.db2.gz SICAFPISHGZBFK-SFHVURJKSA-N 2 0 345.547 3.369 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001178693524 1386279485 /nfs/dbraw/zinc/27/94/85/1386279485.db2.gz VGBZSNIZDZXJGH-SFHVURJKSA-N 2 0 325.541 3.316 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]CCCC2CCC2)CCC1 ZINC001178693573 1386279616 /nfs/dbraw/zinc/27/96/16/1386279616.db2.gz WPRHGAURYFWEEJ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178692831 1386279881 /nfs/dbraw/zinc/27/98/81/1386279881.db2.gz CYONLWZNIWXTFS-QZTJIDSGSA-N 2 0 343.531 3.264 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001178698721 1386281823 /nfs/dbraw/zinc/28/18/23/1386281823.db2.gz RTWQYSKFWQGPLE-YLJYHZDGSA-N 2 0 345.531 3.354 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCCCCC[NH2+]CCCCCF ZINC001178729296 1386291467 /nfs/dbraw/zinc/29/14/67/1386291467.db2.gz RTUPKENZSSVYGA-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001178819861 1386317844 /nfs/dbraw/zinc/31/78/44/1386317844.db2.gz RNRLGUQILPXOFL-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001178828283 1386320571 /nfs/dbraw/zinc/32/05/71/1386320571.db2.gz TXSHQFIYABTGPD-FQEVSTJZSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178920725 1386349161 /nfs/dbraw/zinc/34/91/61/1386349161.db2.gz HCPFGRNZXQLHRM-LJQANCHMSA-N 2 0 337.552 3.339 20 0 EGADRP CC[C@H](C)C[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001319879561 1386355469 /nfs/dbraw/zinc/35/54/69/1386355469.db2.gz HMAYTEZAFYNVEE-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001179079668 1386394522 /nfs/dbraw/zinc/39/45/22/1386394522.db2.gz OHBINVZEDQDRTG-KXBFYZLASA-N 2 0 340.471 3.107 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CC2CCCCC2)CC1 ZINC001179395556 1386474560 /nfs/dbraw/zinc/47/45/60/1386474560.db2.gz OQZAJSWYQDDLKX-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001179435515 1386483327 /nfs/dbraw/zinc/48/33/27/1386483327.db2.gz SVRRZLPRVVRLBT-ICSRJNTNSA-N 2 0 345.531 3.033 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H]1C)[NH+](CC)CC ZINC001179517903 1386503978 /nfs/dbraw/zinc/50/39/78/1386503978.db2.gz WJDMMINBSPDAIH-YSIASYRMSA-N 2 0 345.531 3.194 20 0 EGADRP Cc1c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc2c[nH+]cn21 ZINC001320092053 1386506610 /nfs/dbraw/zinc/50/66/10/1386506610.db2.gz AZBYKGFJBAJOCK-FQEVSTJZSA-N 2 0 348.450 3.210 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179534726 1386508952 /nfs/dbraw/zinc/50/89/52/1386508952.db2.gz SRQASSTWNRFZPD-AOIWGVFYSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001179549541 1386511741 /nfs/dbraw/zinc/51/17/41/1386511741.db2.gz DIEMJLGUTPPCCK-IRXDYDNUSA-N 2 0 339.568 3.370 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCC(C)(C)C)C2)CCC1 ZINC001320103437 1386515220 /nfs/dbraw/zinc/51/52/20/1386515220.db2.gz KMVURBYXAJEFBR-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179580623 1386521461 /nfs/dbraw/zinc/52/14/61/1386521461.db2.gz KHDJEAWCXSMSMY-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001179585691 1386524169 /nfs/dbraw/zinc/52/41/69/1386524169.db2.gz JLQYCGAAEULXAL-IBGZPJMESA-N 2 0 345.531 3.103 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001179585712 1386524203 /nfs/dbraw/zinc/52/42/03/1386524203.db2.gz JRXQJGJUUCVXRN-RTBURBONSA-N 2 0 345.531 3.356 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001179746012 1386570248 /nfs/dbraw/zinc/57/02/48/1386570248.db2.gz LASMNKVTGCFJER-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)CC)[C@@H]1C ZINC001179748816 1386570805 /nfs/dbraw/zinc/57/08/05/1386570805.db2.gz LJKLCBBWOZEBJU-BZSNNMDCSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001179746441 1386570845 /nfs/dbraw/zinc/57/08/45/1386570845.db2.gz UKDQKTZQPGCHBL-SFHVURJKSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179776852 1386581897 /nfs/dbraw/zinc/58/18/97/1386581897.db2.gz KNHNCIYVANCGSV-MRXNPFEDSA-N 2 0 348.535 3.291 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179892113 1386620426 /nfs/dbraw/zinc/62/04/26/1386620426.db2.gz SPJWTAANAWUSNP-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]C[C@H](F)CC)[C@@H]1C ZINC001179903652 1386623210 /nfs/dbraw/zinc/62/32/10/1386623210.db2.gz YREUYCUDPNQBMY-KSZLIROESA-N 2 0 343.531 3.216 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001179988510 1386659800 /nfs/dbraw/zinc/65/98/00/1386659800.db2.gz JIWGHBBWEHCCQP-GOSISDBHSA-N 2 0 333.520 3.356 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001180039658 1386677330 /nfs/dbraw/zinc/67/73/30/1386677330.db2.gz GJMLHHHOYXKZHJ-FQEVSTJZSA-N 2 0 333.520 3.140 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001180060865 1386683741 /nfs/dbraw/zinc/68/37/41/1386683741.db2.gz RWMURFISFSZSOV-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180060552 1386683888 /nfs/dbraw/zinc/68/38/88/1386683888.db2.gz HGEAJGGDXKCCQU-GOSISDBHSA-N 2 0 325.541 3.031 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001180060625 1386683903 /nfs/dbraw/zinc/68/39/03/1386683903.db2.gz JWQTXYCDJBENNX-FQEVSTJZSA-N 2 0 345.531 3.103 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065598 1386685500 /nfs/dbraw/zinc/68/55/00/1386685500.db2.gz VIKZIQBEJJQVCU-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001180124304 1386705027 /nfs/dbraw/zinc/70/50/27/1386705027.db2.gz TZCAILIUNLCMMT-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C)c1ccc(F)cc1 ZINC001180226721 1386738791 /nfs/dbraw/zinc/73/87/91/1386738791.db2.gz ITORDWDKCKXIQK-IPELMVKDSA-N 2 0 349.494 3.196 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CCCC2CCCC2)C1 ZINC001180259926 1386749521 /nfs/dbraw/zinc/74/95/21/1386749521.db2.gz PHJCWBPMXTXWBU-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180356478 1386773197 /nfs/dbraw/zinc/77/31/97/1386773197.db2.gz ASSQVJCIJXDFLZ-ONEGZZNKSA-N 2 0 337.552 3.485 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001180373053 1386777519 /nfs/dbraw/zinc/77/75/19/1386777519.db2.gz PKXMROKTEMDOPS-SFHVURJKSA-N 2 0 325.541 3.172 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCCCCC[NH2+]CC1CCC1 ZINC001180451761 1386800760 /nfs/dbraw/zinc/80/07/60/1386800760.db2.gz IFQXCYWACZPCCC-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180452189 1386801069 /nfs/dbraw/zinc/80/10/69/1386801069.db2.gz PRNXUPBAVIILNJ-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP CC1CC[NH+](CCC[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001321196374 1386837599 /nfs/dbraw/zinc/83/75/99/1386837599.db2.gz NJHWHVLAVFPSEO-UHFFFAOYSA-N 2 0 326.488 3.299 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2c1C[N@H+](C)C[C@@H]2c1ccccc1)[NH+](C)C ZINC001180862453 1386886903 /nfs/dbraw/zinc/88/69/03/1386886903.db2.gz PJINTOUQLKJFDC-MAUKXSAKSA-N 2 0 337.467 3.153 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001321693524 1386958367 /nfs/dbraw/zinc/95/83/67/1386958367.db2.gz QMMORLIZYZQCLD-GOSISDBHSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001181476721 1387001796 /nfs/dbraw/zinc/00/17/96/1387001796.db2.gz MJNHKRNRKBKZOZ-DYESRHJHSA-N 2 0 349.563 3.125 20 0 EGADRP CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001181562509 1387016603 /nfs/dbraw/zinc/01/66/03/1387016603.db2.gz BSAFVRGVZRNBDI-GOSISDBHSA-N 2 0 339.524 3.051 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001181800864 1387056913 /nfs/dbraw/zinc/05/69/13/1387056913.db2.gz DRIQSPLGEKICMF-FUHIMQAGSA-N 2 0 339.568 3.083 20 0 EGADRP CCOC(=O)C1(C)CC([NH2+]CC2(N(C)Cc3ccccc3)CCC2)C1 ZINC001181913160 1387075868 /nfs/dbraw/zinc/07/58/68/1387075868.db2.gz MIRKZBFVWBXPHM-UHFFFAOYSA-N 2 0 344.499 3.363 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001322282025 1387137896 /nfs/dbraw/zinc/13/78/96/1387137896.db2.gz VDHNEXSJWYAKEQ-FXAWDEMLSA-N 2 0 347.547 3.333 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001182954013 1387250755 /nfs/dbraw/zinc/25/07/55/1387250755.db2.gz OIQAEZCYTRHAOQ-QGZVFWFLSA-N 2 0 349.544 3.194 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2)c1 ZINC001698710516 1406352474 /nfs/dbraw/zinc/35/24/74/1406352474.db2.gz ZBFIEBUTNABTII-VAMGGRTRSA-N 2 0 345.531 3.106 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH3+])cc1 ZINC001329565073 1389158808 /nfs/dbraw/zinc/15/88/08/1389158808.db2.gz UFTHNOKQCHSRLZ-UHFFFAOYSA-N 2 0 339.483 3.307 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001336780567 1389168181 /nfs/dbraw/zinc/16/81/81/1389168181.db2.gz NUKCLLZQLORFPW-OAHLLOKOSA-N 2 0 335.467 3.173 20 0 EGADRP C[C@@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC001337856682 1389461749 /nfs/dbraw/zinc/46/17/49/1389461749.db2.gz WTEATARMDUFKJE-RGPMPMONSA-N 2 0 338.442 3.178 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001331031750 1389603695 /nfs/dbraw/zinc/60/36/95/1389603695.db2.gz ZHYZLBMBELSFHV-PKOBYXMFSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ncoc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001332691368 1390154765 /nfs/dbraw/zinc/15/47/65/1390154765.db2.gz LMBYNYXETBRRKE-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001340105960 1390227478 /nfs/dbraw/zinc/22/74/78/1390227478.db2.gz PZIMCJWHKNVGNL-MPGHIAIKSA-N 2 0 337.533 3.011 20 0 EGADRP [NH3+]CCc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001340173035 1390241996 /nfs/dbraw/zinc/24/19/96/1390241996.db2.gz OGLIUBHBAJJFFV-UHFFFAOYSA-N 2 0 337.467 3.426 20 0 EGADRP C[C@H]1CCc2nc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)sc2C1 ZINC001333847444 1390421361 /nfs/dbraw/zinc/42/13/61/1390421361.db2.gz RBHAUFVLJLIJRJ-AWEZNQCLSA-N 2 0 333.545 3.480 20 0 EGADRP CCCN(C(=O)CC1(C[NH3+])CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001341405739 1390483251 /nfs/dbraw/zinc/48/32/51/1390483251.db2.gz XGEOJBGAGLAJOA-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)cc(OC)c1 ZINC001341568514 1390503536 /nfs/dbraw/zinc/50/35/36/1390503536.db2.gz ZAGQQNSTFZIILA-KRWDZBQOSA-N 2 0 341.455 3.484 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)c(OC)c1 ZINC001341567793 1390503564 /nfs/dbraw/zinc/50/35/64/1390503564.db2.gz LHOFJGJZTYZCLZ-KRWDZBQOSA-N 2 0 341.455 3.484 20 0 EGADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC001341585477 1390506150 /nfs/dbraw/zinc/50/61/50/1390506150.db2.gz MYIQDLNYZGPDLE-PBHICJAKSA-N 2 0 349.544 3.246 20 0 EGADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC001341585478 1390506189 /nfs/dbraw/zinc/50/61/89/1390506189.db2.gz MYIQDLNYZGPDLE-RHSMWYFYSA-N 2 0 349.544 3.246 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](n2cncn2)C1 ZINC001334425992 1390536368 /nfs/dbraw/zinc/53/63/68/1390536368.db2.gz RXLPGIJQBZIIIH-PGFIRFOUSA-N 2 0 331.508 3.004 20 0 EGADRP C[NH+](C)C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC001342281213 1390595486 /nfs/dbraw/zinc/59/54/86/1390595486.db2.gz PCBYOYIXJBQPET-OALUTQOASA-N 2 0 343.446 3.025 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)CC1 ZINC001347233009 1391035308 /nfs/dbraw/zinc/03/53/08/1391035308.db2.gz DAJDVIXOLVQAPO-LJQANCHMSA-N 2 0 327.516 3.451 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001349773689 1391365120 /nfs/dbraw/zinc/36/51/20/1391365120.db2.gz MVTWDGCAYWFCRC-KRWDZBQOSA-N 2 0 325.456 3.281 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC001353604979 1392048091 /nfs/dbraw/zinc/04/80/91/1392048091.db2.gz OYUWUBHQZRCFLB-SFHVURJKSA-N 2 0 331.504 3.016 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001479371697 1392228051 /nfs/dbraw/zinc/22/80/51/1392228051.db2.gz VHRQEWRCSDTFFG-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001479888602 1392459726 /nfs/dbraw/zinc/45/97/26/1392459726.db2.gz IJKBNUGKFVFTSC-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001479895461 1392464208 /nfs/dbraw/zinc/46/42/08/1392464208.db2.gz JYEYGGWTAWXJCY-LPHOPBHVSA-N 2 0 331.504 3.011 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC001479963965 1392499162 /nfs/dbraw/zinc/49/91/62/1392499162.db2.gz ICYBULGFDWHKKU-OALUTQOASA-N 2 0 345.531 3.015 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001480088690 1392579097 /nfs/dbraw/zinc/57/90/97/1392579097.db2.gz BYGPJIZZLUVJCA-QGZVFWFLSA-N 2 0 349.519 3.315 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001480172942 1392608876 /nfs/dbraw/zinc/60/88/76/1392608876.db2.gz QMWPLJISEZDYKX-MXVIHJGJSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001480174693 1392609114 /nfs/dbraw/zinc/60/91/14/1392609114.db2.gz YLVTZLFEAMPOCU-VDGAXYAQSA-N 2 0 345.531 3.281 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480526470 1392779370 /nfs/dbraw/zinc/77/93/70/1392779370.db2.gz JTVVWWZLXOFZEZ-SJORKVTESA-N 2 0 347.547 3.481 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001481121271 1393125358 /nfs/dbraw/zinc/12/53/58/1393125358.db2.gz WTUDEGZWMWVTBO-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1ccc(F)cc1 ZINC001481137147 1393130631 /nfs/dbraw/zinc/13/06/31/1393130631.db2.gz DQUXDOXPHRCXAF-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001481215174 1393150173 /nfs/dbraw/zinc/15/01/73/1393150173.db2.gz GJQWLMHJVLNKIR-UZLBHIALSA-N 2 0 339.483 3.043 20 0 EGADRP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001481358747 1393180967 /nfs/dbraw/zinc/18/09/67/1393180967.db2.gz XTVWNYROWDGASB-WOJBJXKFSA-N 2 0 345.531 3.307 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001698948286 1406688350 /nfs/dbraw/zinc/68/83/50/1406688350.db2.gz VDNJNFSMQHZUGN-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001490956814 1394383876 /nfs/dbraw/zinc/38/38/76/1394383876.db2.gz JLHMMSYBWVMWJI-IHPCNDPISA-N 2 0 343.515 3.251 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001491112965 1394433978 /nfs/dbraw/zinc/43/39/78/1394433978.db2.gz ATLPGNRPPFLZMQ-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@@H+](C)C2CCC2)cs1 ZINC001491210545 1394473190 /nfs/dbraw/zinc/47/31/90/1394473190.db2.gz RQKMVAYGHARHMO-GOSISDBHSA-N 2 0 349.544 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481748658 1394493255 /nfs/dbraw/zinc/49/32/55/1394493255.db2.gz JRJXTCZQEODUFI-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698960391 1406713490 /nfs/dbraw/zinc/71/34/90/1406713490.db2.gz IAVZOGLJEJBGBB-KXBFYZLASA-N 2 0 349.494 3.101 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001482065870 1394726964 /nfs/dbraw/zinc/72/69/64/1394726964.db2.gz UZIAKBYNPGSGTM-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CCCC1 ZINC001482234202 1394829884 /nfs/dbraw/zinc/82/98/84/1394829884.db2.gz RGVXOYDTOMSRHW-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C(C)C)[NH+](C)C ZINC001482354614 1394918415 /nfs/dbraw/zinc/91/84/15/1394918415.db2.gz RUCLXEZRVADUNJ-LPHOPBHVSA-N 2 0 333.520 3.087 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@]2(CC[NH+](C(C)C)C2)C1)c1ccccc1 ZINC001483848470 1395115494 /nfs/dbraw/zinc/11/54/94/1395115494.db2.gz UUXKLBZFKXIJMV-PZJWPPBQSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001484755649 1395506343 /nfs/dbraw/zinc/50/63/43/1395506343.db2.gz ZNGDEAYRFXNUQZ-QUCCMNQESA-N 2 0 345.531 3.321 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485351293 1395826926 /nfs/dbraw/zinc/82/69/26/1395826926.db2.gz SQIIEERBDMJGTI-YLJYHZDGSA-N 2 0 347.547 3.333 20 0 EGADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001485517572 1395993955 /nfs/dbraw/zinc/99/39/55/1395993955.db2.gz VRDABSQDYPERIG-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@H+](C)CC3CCC3)C2)CCCCC1 ZINC001494147380 1396384281 /nfs/dbraw/zinc/38/42/81/1396384281.db2.gz LJGLWTCMJDITKR-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2F)CCCC1 ZINC001495953120 1396576730 /nfs/dbraw/zinc/57/67/30/1396576730.db2.gz QAMHRUAVQNQZEJ-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001498114721 1396921969 /nfs/dbraw/zinc/92/19/69/1396921969.db2.gz KXFXHIUJXAGVGU-FCEWJHQRSA-N 2 0 333.520 3.306 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CCn1ccnc1 ZINC001498350792 1396971941 /nfs/dbraw/zinc/97/19/41/1396971941.db2.gz TUDAZGGZOKNVPU-KRWDZBQOSA-N 2 0 342.487 3.033 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498456512 1397003247 /nfs/dbraw/zinc/00/32/47/1397003247.db2.gz KOMGJEJLVPXVFY-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690780803 1404728988 /nfs/dbraw/zinc/72/89/88/1404728988.db2.gz LYVPMCWZCRHTFJ-QZTJIDSGSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)Cc1cccc(C)c1 ZINC001691029583 1404939483 /nfs/dbraw/zinc/93/94/83/1404939483.db2.gz KRHGTLXJSVLGSU-HXUWFJFHSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691065804 1404992655 /nfs/dbraw/zinc/99/26/55/1404992655.db2.gz GLIKJBLNLZSVMI-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2CCCC(C)(C)C)CC1 ZINC001691670143 1405403272 /nfs/dbraw/zinc/40/32/72/1405403272.db2.gz IJNUMLGLFBGACL-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001692013235 1405732398 /nfs/dbraw/zinc/73/23/98/1405732398.db2.gz CANBWOWFQMMLCQ-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1ccccc1C ZINC001731813646 1428002888 /nfs/dbraw/zinc/00/28/88/1428002888.db2.gz SUZATFRMNGFFSF-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001731857246 1428091758 /nfs/dbraw/zinc/09/17/58/1428091758.db2.gz JZPMVPYOXORWNW-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001698585096 1406201202 /nfs/dbraw/zinc/20/12/02/1406201202.db2.gz JVTZHYQSFCYNQO-SJORKVTESA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001732055587 1428299630 /nfs/dbraw/zinc/29/96/30/1428299630.db2.gz ZCPRFHHFEWFZID-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001732087031 1428348260 /nfs/dbraw/zinc/34/82/60/1428348260.db2.gz IDDGVIDYZGRZDM-HKUYNNGSSA-N 2 0 339.568 3.179 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001732101462 1428361728 /nfs/dbraw/zinc/36/17/28/1428361728.db2.gz NPELJNABSFLWRR-QZTJIDSGSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC3CCC(C)(C)CC3)CCCC2)C1 ZINC001732237902 1428483632 /nfs/dbraw/zinc/48/36/32/1428483632.db2.gz VFPYMTXGUGVGBW-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732343564 1428541984 /nfs/dbraw/zinc/54/19/84/1428541984.db2.gz PYEIBFRVFDQTFE-QGZVFWFLSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001732347625 1428543629 /nfs/dbraw/zinc/54/36/29/1428543629.db2.gz CIIYHUNASZDQOF-ROUUACIJSA-N 2 0 343.515 3.026 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CCC2CC2)CCCC1)[NH+]1CCCCCC1 ZINC001732397213 1428564486 /nfs/dbraw/zinc/56/44/86/1428564486.db2.gz QYFFPJHNWAQZCN-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001699219669 1412583885 /nfs/dbraw/zinc/58/38/85/1412583885.db2.gz FUWPHZKVHJLVBX-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001699738034 1413149473 /nfs/dbraw/zinc/14/94/73/1413149473.db2.gz JNKUEBYWKIQWFZ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001699877007 1413336236 /nfs/dbraw/zinc/33/62/36/1413336236.db2.gz OBRAKTOXNFJMJK-HXUWFJFHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700356137 1413858177 /nfs/dbraw/zinc/85/81/77/1413858177.db2.gz NLGLLXIZVOCLJW-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](CNC(=O)c1ccccc1CC[NH+](C)C)[N@H+](C)CC1CCCC1 ZINC001700472475 1414091176 /nfs/dbraw/zinc/09/11/76/1414091176.db2.gz SUVFAXADNRTWEO-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001700488529 1414139375 /nfs/dbraw/zinc/13/93/75/1414139375.db2.gz ZWDJJILIMIBINR-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700544996 1414213414 /nfs/dbraw/zinc/21/34/14/1414213414.db2.gz DPJJZHGRNNCBJM-SJORKVTESA-N 2 0 339.568 3.083 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732584971 1428797115 /nfs/dbraw/zinc/79/71/15/1428797115.db2.gz DVHOZXIRMDSIKO-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C ZINC001700998554 1414648623 /nfs/dbraw/zinc/64/86/23/1414648623.db2.gz QRDGUAMAEWCLIZ-INIZCTEOSA-N 2 0 339.549 3.019 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001732628138 1428890344 /nfs/dbraw/zinc/89/03/44/1428890344.db2.gz UCVAZMZNCASMCY-WOJBJXKFSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001733006841 1429127382 /nfs/dbraw/zinc/12/73/82/1429127382.db2.gz MWFHTQNRKIDCMF-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001713175445 1417748391 /nfs/dbraw/zinc/74/83/91/1417748391.db2.gz CRKLMQWUTZOKLV-MXVIHJGJSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001713222123 1417807230 /nfs/dbraw/zinc/80/72/30/1417807230.db2.gz XCELZBSPTWVYMO-MOPGFXCFSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC2CCC2)CCC1 ZINC001713253106 1417846530 /nfs/dbraw/zinc/84/65/30/1417846530.db2.gz MZIKMYQBKYPBQE-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001713269016 1417878489 /nfs/dbraw/zinc/87/84/89/1417878489.db2.gz QESDLZBXUOHABU-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713276518 1417897010 /nfs/dbraw/zinc/89/70/10/1417897010.db2.gz WTJXCRCISHUDOE-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713279462 1417905100 /nfs/dbraw/zinc/90/51/00/1417905100.db2.gz ZNRHFYPPCIJSEH-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001733067602 1429222008 /nfs/dbraw/zinc/22/20/08/1429222008.db2.gz QULVGTLEINQENU-VSRDTVRMSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1ccccc1F ZINC001713419477 1418044003 /nfs/dbraw/zinc/04/40/03/1418044003.db2.gz BPBHGEACKVLTPD-SJORKVTESA-N 2 0 349.494 3.103 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713469546 1418135387 /nfs/dbraw/zinc/13/53/87/1418135387.db2.gz PRHYOULHEKJIPN-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001733084311 1429236842 /nfs/dbraw/zinc/23/68/42/1429236842.db2.gz SKZGTAPSTQWYGR-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC001713484716 1418177672 /nfs/dbraw/zinc/17/76/72/1418177672.db2.gz RYMQITGKNAOVBJ-UHFFFAOYSA-N 2 0 349.494 3.028 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713838360 1418635666 /nfs/dbraw/zinc/63/56/66/1418635666.db2.gz FIILZQKAKHYWMK-MOPGFXCFSA-N 2 0 343.515 3.123 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001713896476 1418694469 /nfs/dbraw/zinc/69/44/69/1418694469.db2.gz CPVWFKNBQRMIQY-FQEVSTJZSA-N 2 0 345.531 3.007 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001714021572 1418804994 /nfs/dbraw/zinc/80/49/94/1418804994.db2.gz OTHWZIVJHUCPTR-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001714041635 1418831681 /nfs/dbraw/zinc/83/16/81/1418831681.db2.gz LJGKNUVBXOTOTG-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001714045634 1418839846 /nfs/dbraw/zinc/83/98/46/1418839846.db2.gz OECAVWSNUOUOCG-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714053371 1418852265 /nfs/dbraw/zinc/85/22/65/1418852265.db2.gz KKPPQFMCSNTOAT-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001714197855 1419002863 /nfs/dbraw/zinc/00/28/63/1419002863.db2.gz WFGDBXJSXNDPKO-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@@H](C(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1)[NH+](C)C ZINC001714198136 1419003209 /nfs/dbraw/zinc/00/32/09/1419003209.db2.gz IKAOQFYYYIDHCQ-ZWCFYGAZSA-N 2 0 343.515 3.057 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001714331136 1419111006 /nfs/dbraw/zinc/11/10/06/1419111006.db2.gz NYBLXTFDMJUEBF-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ccc2ccccc2c1C[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001714557829 1419285088 /nfs/dbraw/zinc/28/50/88/1419285088.db2.gz MHHMTLRBQBRALG-UHFFFAOYSA-N 2 0 341.499 3.038 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001714637851 1419409272 /nfs/dbraw/zinc/40/92/72/1419409272.db2.gz YTIJEKQHYAPXFN-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001714664805 1419452230 /nfs/dbraw/zinc/45/22/30/1419452230.db2.gz GGZAEKXTBRNOFL-KRWDZBQOSA-N 2 0 343.515 3.121 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001714885396 1419626351 /nfs/dbraw/zinc/62/63/51/1419626351.db2.gz WPTCKFLIPYWIKG-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001715098253 1419838760 /nfs/dbraw/zinc/83/87/60/1419838760.db2.gz LJPNTMZAAVNBAP-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001715191380 1419923565 /nfs/dbraw/zinc/92/35/65/1419923565.db2.gz QWVPJINGGPLIQI-MXVIHJGJSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCCCCC1 ZINC001715494863 1420176077 /nfs/dbraw/zinc/17/60/77/1420176077.db2.gz XTGOLZWSLURSGZ-IBGZPJMESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001716008460 1420461624 /nfs/dbraw/zinc/46/16/24/1420461624.db2.gz IBRFFSPWUSZVRB-DLBZAZTESA-N 2 0 339.483 3.217 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716043383 1420506624 /nfs/dbraw/zinc/50/66/24/1420506624.db2.gz WFDKISNEZPVJNW-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC(C)(C)C)C1 ZINC001716051940 1420516292 /nfs/dbraw/zinc/51/62/92/1420516292.db2.gz UCUHORUMVCHBDT-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001716549385 1420757427 /nfs/dbraw/zinc/75/74/27/1420757427.db2.gz CZBFNRNFBZMVPC-RHSMWYFYSA-N 2 0 339.911 3.179 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001716643206 1420798760 /nfs/dbraw/zinc/79/87/60/1420798760.db2.gz YEFNJKAWSVYPTM-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001716764309 1420910630 /nfs/dbraw/zinc/91/06/30/1420910630.db2.gz NACJSLUCQYTTJL-GDSCYZHGSA-N 2 0 343.515 3.011 20 0 EGADRP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001716849375 1420978706 /nfs/dbraw/zinc/97/87/06/1420978706.db2.gz WKUHSQBNYAYGGI-AZUAARDMSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001716872938 1421000085 /nfs/dbraw/zinc/00/00/85/1421000085.db2.gz KHUVZFRTVITKFK-UZLBHIALSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001716887175 1421010982 /nfs/dbraw/zinc/01/09/82/1421010982.db2.gz CXQRRHWRZDKWEE-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001716889198 1421012842 /nfs/dbraw/zinc/01/28/42/1421012842.db2.gz ACRZMQPXCFBJJE-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)CC1 ZINC001717145210 1421138014 /nfs/dbraw/zinc/13/80/14/1421138014.db2.gz OLSWMQZDZFOAPT-CTWPCTMYSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)CC2)CCCCC1 ZINC001717198755 1421165669 /nfs/dbraw/zinc/16/56/69/1421165669.db2.gz XSQYRUNFDVZEGW-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CC(C)C)C1 ZINC001717216426 1421194588 /nfs/dbraw/zinc/19/45/88/1421194588.db2.gz IPHBQBBDFYGWQH-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001717301683 1421243780 /nfs/dbraw/zinc/24/37/80/1421243780.db2.gz AFSCQSMDVLDAJQ-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CCc1cccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001717338073 1421275390 /nfs/dbraw/zinc/27/53/90/1421275390.db2.gz PKHSJDKFOMFCLF-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717459550 1421389228 /nfs/dbraw/zinc/38/92/28/1421389228.db2.gz GNAMGTPSORTBKA-ROUUACIJSA-N 2 0 345.531 3.082 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC001733296675 1429479660 /nfs/dbraw/zinc/47/96/60/1429479660.db2.gz JDNRBNGGLJOKMS-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CCC1CCCC1 ZINC001717751413 1421614404 /nfs/dbraw/zinc/61/44/04/1421614404.db2.gz WJZXHDHXSDBGFK-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC(C[NH2+]C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C2CC2)C1 ZINC001723317025 1424348274 /nfs/dbraw/zinc/34/82/74/1424348274.db2.gz WCUADNXNJDXWJV-TVPLGVNVSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724543036 1424903975 /nfs/dbraw/zinc/90/39/75/1424903975.db2.gz DUIJKAGOEFPFFD-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)C[C@H]21 ZINC001724658189 1425026627 /nfs/dbraw/zinc/02/66/27/1425026627.db2.gz ILLZBLUNGOPRDN-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001724658864 1425029622 /nfs/dbraw/zinc/02/96/22/1425029622.db2.gz LCJGPKYTRBFETR-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001724836020 1425183218 /nfs/dbraw/zinc/18/32/18/1425183218.db2.gz LHPBPPTXJRALFZ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001724843681 1425193477 /nfs/dbraw/zinc/19/34/77/1425193477.db2.gz NQTVYWNPTYCCNR-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001724943435 1425327620 /nfs/dbraw/zinc/32/76/20/1425327620.db2.gz GQBXPLBHQHRBBM-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001724991472 1425393782 /nfs/dbraw/zinc/39/37/82/1425393782.db2.gz HICYURVZYXPHGP-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1C ZINC001725054660 1425489344 /nfs/dbraw/zinc/48/93/44/1425489344.db2.gz YEENLTUMUFVBFI-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001725143051 1425622897 /nfs/dbraw/zinc/62/28/97/1425622897.db2.gz LQSQRHVHTUGBLC-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731547692 1427564665 /nfs/dbraw/zinc/56/46/65/1427564665.db2.gz OWGOKMGQXBYXLV-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001731696499 1427746135 /nfs/dbraw/zinc/74/61/35/1427746135.db2.gz ATZVBCBNIPQYHN-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001731721561 1427791561 /nfs/dbraw/zinc/79/15/61/1427791561.db2.gz UWOOALIBQBYPCA-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cc(C)c(C[N@H+]2CCC[C@H]2CNC(=O)CCC[NH+](C)C)c(C)c1 ZINC001731830737 1428039906 /nfs/dbraw/zinc/03/99/06/1428039906.db2.gz NPECNJZFMUFAQY-IBGZPJMESA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccccc1C ZINC001731864073 1428108520 /nfs/dbraw/zinc/10/85/20/1428108520.db2.gz DQZROCGHSVKDHA-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1ccccc1C ZINC001731867831 1428117810 /nfs/dbraw/zinc/11/78/10/1428117810.db2.gz XPKQCBFQXXNDGE-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cccc(C)c1 ZINC001731868324 1428119730 /nfs/dbraw/zinc/11/97/30/1428119730.db2.gz GFRHPBVDDXGTAM-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001733782848 1430051196 /nfs/dbraw/zinc/05/11/96/1430051196.db2.gz PYJVWEDHBBEIRT-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001752147610 1440146533 /nfs/dbraw/zinc/14/65/33/1440146533.db2.gz VPIAJHMUDKFTAI-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001752160031 1440148732 /nfs/dbraw/zinc/14/87/32/1440148732.db2.gz XHHKLPPKQHKRER-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC1CC(C)C1 ZINC001752215383 1440155865 /nfs/dbraw/zinc/15/58/65/1440155865.db2.gz NVVLBLQCNYJYOR-JLAWEPINSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1ccsc1 ZINC001752219417 1440156109 /nfs/dbraw/zinc/15/61/09/1440156109.db2.gz JNPIZDQHGNZCQP-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001752310404 1440170004 /nfs/dbraw/zinc/17/00/04/1440170004.db2.gz OSNIRDJSJDWISQ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001752436864 1440180370 /nfs/dbraw/zinc/18/03/70/1440180370.db2.gz ZTVSBUAWOBZPLF-WYNBNGFRSA-N 2 0 347.547 3.045 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001752440012 1440181088 /nfs/dbraw/zinc/18/10/88/1440181088.db2.gz RNOJGUNSMCDZCD-UHFFFAOYSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001752470545 1440184238 /nfs/dbraw/zinc/18/42/38/1440184238.db2.gz HCBCIRHNGGJXEK-RTBURBONSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001752520466 1440192422 /nfs/dbraw/zinc/19/24/22/1440192422.db2.gz YYKHXFHPPBVDFW-WOJBJXKFSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752564361 1440195236 /nfs/dbraw/zinc/19/52/36/1440195236.db2.gz AFDSZIAMVUQVPO-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC001752660286 1440198353 /nfs/dbraw/zinc/19/83/53/1440198353.db2.gz GDSSYZYOIWAKQG-YSSFQJQWSA-N 2 0 339.483 3.089 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001752772867 1440206357 /nfs/dbraw/zinc/20/63/57/1440206357.db2.gz OAHHCCJTNSZNIE-YTQUADARSA-N 2 0 331.504 3.025 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001752809507 1440216300 /nfs/dbraw/zinc/21/63/00/1440216300.db2.gz FNVKCKMDTVFYSL-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001752809508 1440216316 /nfs/dbraw/zinc/21/63/16/1440216316.db2.gz FNVKCKMDTVFYSL-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1=CCCCC1 ZINC001752873120 1440237519 /nfs/dbraw/zinc/23/75/19/1440237519.db2.gz OYBRNHNTJWHOLM-HKUYNNGSSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@H](C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001752902835 1440243454 /nfs/dbraw/zinc/24/34/54/1440243454.db2.gz IDTQBXOBLVQESM-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752962420 1440253548 /nfs/dbraw/zinc/25/35/48/1440253548.db2.gz FBYJCDYVXFYTRO-LJQANCHMSA-N 2 0 345.531 3.236 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001752976969 1440256380 /nfs/dbraw/zinc/25/63/80/1440256380.db2.gz AQUKLTRSKQGTIS-RTBURBONSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001752983926 1440257747 /nfs/dbraw/zinc/25/77/47/1440257747.db2.gz RGKKTFZWQIPQKR-RBUKOAKNSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995230 1440261622 /nfs/dbraw/zinc/26/16/22/1440261622.db2.gz QRBAQZUIMQGORI-CKHBTRQNSA-N 2 0 349.563 3.386 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([N@H+](C)CCC3=CCCCC3)C2)CC1 ZINC001752997892 1440262991 /nfs/dbraw/zinc/26/29/91/1440262991.db2.gz ZGQKNMCAAWVJGN-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H](C)CCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001753007570 1440266103 /nfs/dbraw/zinc/26/61/03/1440266103.db2.gz SZSIONBMSHBESO-QGZVFWFLSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001753007625 1440266210 /nfs/dbraw/zinc/26/62/10/1440266210.db2.gz VYQNKJKQTHVWBR-IAGOWNOFSA-N 2 0 331.504 3.025 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC1CC(C)(C)C1 ZINC001753090853 1440299167 /nfs/dbraw/zinc/29/91/67/1440299167.db2.gz AWBZBHQRDTWYSB-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001753102761 1440304901 /nfs/dbraw/zinc/30/49/01/1440304901.db2.gz CLUAHNQIOOQBAP-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001753112882 1440309470 /nfs/dbraw/zinc/30/94/70/1440309470.db2.gz IFXNKTVPZMUUKE-YSKLNCTFSA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1cc(C)ccc1C ZINC001753115589 1440311100 /nfs/dbraw/zinc/31/11/00/1440311100.db2.gz FJRIEACZFMBTGI-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753136192 1440318874 /nfs/dbraw/zinc/31/88/74/1440318874.db2.gz UJLUGZLFJRVREP-KJYWSYJISA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001753137281 1440319556 /nfs/dbraw/zinc/31/95/56/1440319556.db2.gz HPSVRNQJWCLFHU-VQIMIIECSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1 ZINC001753159629 1440332848 /nfs/dbraw/zinc/33/28/48/1440332848.db2.gz VSDSGSMGLJHMKC-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C)c(C[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C2CC2)c(C)c1 ZINC001753165185 1440335773 /nfs/dbraw/zinc/33/57/73/1440335773.db2.gz PXMJWGLAUSAZOW-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@@H](C(=O)N(C)CC[NH2+]CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001753237962 1440341796 /nfs/dbraw/zinc/34/17/96/1440341796.db2.gz RUWGNBSAIMCTOB-XBMUEBEBSA-N 2 0 337.552 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CCC2CCCCCC2)CC1 ZINC001753244831 1440342537 /nfs/dbraw/zinc/34/25/37/1440342537.db2.gz ADBGMLADZSDPNW-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001753265693 1440344790 /nfs/dbraw/zinc/34/47/90/1440344790.db2.gz KHFHEPHRCICFBP-QFBILLFUSA-N 2 0 349.494 3.055 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001753273418 1440345860 /nfs/dbraw/zinc/34/58/60/1440345860.db2.gz BOTYDRWWBBYOST-RHGXJLFNSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001753333973 1440371158 /nfs/dbraw/zinc/37/11/58/1440371158.db2.gz GORXFDSKTCALBJ-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001753355818 1440379926 /nfs/dbraw/zinc/37/99/26/1440379926.db2.gz SZQKUVFBWRHNQA-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001753357972 1440381105 /nfs/dbraw/zinc/38/11/05/1440381105.db2.gz IUFZHLCQAAHCNT-IRXDYDNUSA-N 2 0 349.494 3.009 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001753366045 1440385154 /nfs/dbraw/zinc/38/51/54/1440385154.db2.gz WMHKEPNYINLQSX-UHFFFAOYSA-N 2 0 342.487 3.227 20 0 EGADRP CC(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001753365992 1440385171 /nfs/dbraw/zinc/38/51/71/1440385171.db2.gz UKKHTQTWLGHKRB-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368908 1440386694 /nfs/dbraw/zinc/38/66/94/1440386694.db2.gz WOCKXFZPJOBODU-IPMKNSEASA-N 2 0 349.494 3.198 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001753573458 1440438937 /nfs/dbraw/zinc/43/89/37/1440438937.db2.gz MNFIHUYINREKLN-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001753586528 1440441399 /nfs/dbraw/zinc/44/13/99/1440441399.db2.gz RPFGXEJPHUCZPN-UAFMIMERSA-N 2 0 349.563 3.457 20 0 EGADRP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001753587112 1440441678 /nfs/dbraw/zinc/44/16/78/1440441678.db2.gz NKZKFVDZWXSTHV-MXVIHJGJSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC2(CC[NH+](CC3CCCCC3)C2)CC1 ZINC001753603335 1440447151 /nfs/dbraw/zinc/44/71/51/1440447151.db2.gz VBCUNAURKLBGHM-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001753725672 1440474369 /nfs/dbraw/zinc/47/43/69/1440474369.db2.gz HVJWYVUDHFLILE-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001753740382 1440478998 /nfs/dbraw/zinc/47/89/98/1440478998.db2.gz DREXZCYQNMQYBO-CTNGQTDRSA-N 2 0 347.547 3.093 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001753776362 1440486472 /nfs/dbraw/zinc/48/64/72/1440486472.db2.gz DGXJOQARPDPSGQ-MRNGTQDMSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCC1 ZINC001753777774 1440486790 /nfs/dbraw/zinc/48/67/90/1440486790.db2.gz VMMKOJNZEVAHDN-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001753798740 1440490402 /nfs/dbraw/zinc/49/04/02/1440490402.db2.gz FFFSGOINHTXNDV-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001753829962 1440499330 /nfs/dbraw/zinc/49/93/30/1440499330.db2.gz DYODAXLYXSJWKK-QZTJIDSGSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001753837749 1440501661 /nfs/dbraw/zinc/50/16/61/1440501661.db2.gz OSHFTDYEAANFIG-VQTJNVASSA-N 2 0 345.531 3.039 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753892040 1440522238 /nfs/dbraw/zinc/52/22/38/1440522238.db2.gz SLKNDCMYQXEAGP-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001753895656 1440522653 /nfs/dbraw/zinc/52/26/53/1440522653.db2.gz YXVVLXZVWFRXJM-RTBURBONSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753971284 1440527145 /nfs/dbraw/zinc/52/71/45/1440527145.db2.gz WBNOXPVIONFRRH-PXNSSMCTSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754007681 1440530930 /nfs/dbraw/zinc/53/09/30/1440530930.db2.gz RDUUTQROAMIQOT-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001754045490 1440535046 /nfs/dbraw/zinc/53/50/46/1440535046.db2.gz QTQQMRMSAUSBJE-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754044993 1440535072 /nfs/dbraw/zinc/53/50/72/1440535072.db2.gz AFPSNBRUCACPNA-QFBILLFUSA-N 2 0 349.494 3.198 20 0 EGADRP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754070458 1440538017 /nfs/dbraw/zinc/53/80/17/1440538017.db2.gz BKLHSGVSMRWVMC-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)sc1C ZINC001754131278 1440543631 /nfs/dbraw/zinc/54/36/31/1440543631.db2.gz ZCHMUJMADQTRBL-QWNKOJSDSA-N 2 0 349.544 3.001 20 0 EGADRP C[C@H](C[NH2+]CCCC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754225415 1440553285 /nfs/dbraw/zinc/55/32/85/1440553285.db2.gz VQZAWKCCVSTQRG-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCCCCC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001754312864 1440574138 /nfs/dbraw/zinc/57/41/38/1440574138.db2.gz JVZWYXMTYGFFMB-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001754314519 1440574762 /nfs/dbraw/zinc/57/47/62/1440574762.db2.gz DRGWERREFFJFMB-XBMUEBEBSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754317434 1440576365 /nfs/dbraw/zinc/57/63/65/1440576365.db2.gz DETWURDYWLGKKG-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCCCCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754323921 1440579510 /nfs/dbraw/zinc/57/95/10/1440579510.db2.gz NNAIZXQQTZFGOK-AOIWGVFYSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001754337126 1440586918 /nfs/dbraw/zinc/58/69/18/1440586918.db2.gz RRFHSEKLHRNWCT-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754371036 1440592573 /nfs/dbraw/zinc/59/25/73/1440592573.db2.gz VOKRNMKPKIBDNC-AZUAARDMSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001754416728 1440596922 /nfs/dbraw/zinc/59/69/22/1440596922.db2.gz LHXFISWEWYAKOT-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](CC)C1 ZINC001754466793 1440604442 /nfs/dbraw/zinc/60/44/42/1440604442.db2.gz JCAHWGHSMRJHPU-VQTJNVASSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754506162 1440616518 /nfs/dbraw/zinc/61/65/18/1440616518.db2.gz XOZMJPRJFKZXJV-MOPGFXCFSA-N 2 0 343.515 3.123 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001754516044 1440618587 /nfs/dbraw/zinc/61/85/87/1440618587.db2.gz MHVYBJUFZXPJNV-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754544963 1440627036 /nfs/dbraw/zinc/62/70/36/1440627036.db2.gz PKYSSIBWKLSACK-SEBOWIOWSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001754598182 1440641850 /nfs/dbraw/zinc/64/18/50/1440641850.db2.gz RPHQUYKUYOTKPN-MSOLQXFVSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001754613571 1440644265 /nfs/dbraw/zinc/64/42/65/1440644265.db2.gz PASRJPDNODAMCG-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C1CCCC1 ZINC001754650844 1440651896 /nfs/dbraw/zinc/65/18/96/1440651896.db2.gz PUYVBHRFGZJYDQ-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001754653962 1440652918 /nfs/dbraw/zinc/65/29/18/1440652918.db2.gz JQHVXEHAJBNVAC-PKOBYXMFSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001754655719 1440653417 /nfs/dbraw/zinc/65/34/17/1440653417.db2.gz SNJIVCXKKZRKBR-MOPGFXCFSA-N 2 0 337.552 3.170 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754697314 1440667333 /nfs/dbraw/zinc/66/73/33/1440667333.db2.gz OUDFBZDXTKRAHE-UCFODXPJSA-N 2 0 335.536 3.045 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@@]2(C)CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001754712740 1440670580 /nfs/dbraw/zinc/67/05/80/1440670580.db2.gz MGODSOXKNOXWAB-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001754721652 1440673529 /nfs/dbraw/zinc/67/35/29/1440673529.db2.gz WGNABEXATLYHLO-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCCCC2)C1 ZINC001754729418 1440678219 /nfs/dbraw/zinc/67/82/19/1440678219.db2.gz JOIYHVKVWZIZQZ-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001754732175 1440680263 /nfs/dbraw/zinc/68/02/63/1440680263.db2.gz OYPCRZWBGVWQLS-QUCCMNQESA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734407 1440681568 /nfs/dbraw/zinc/68/15/68/1440681568.db2.gz VJHPCSNPTYRHSF-GHTZIAJQSA-N 2 0 343.515 3.062 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754735671 1440682128 /nfs/dbraw/zinc/68/21/28/1440682128.db2.gz IBFVHPDPPQTACG-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754796750 1440689653 /nfs/dbraw/zinc/68/96/53/1440689653.db2.gz GDGCQDLVHNGTPT-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001754867887 1440703737 /nfs/dbraw/zinc/70/37/37/1440703737.db2.gz HKELHKCNUGUGJM-JNVNVXKGSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001754926930 1440709923 /nfs/dbraw/zinc/70/99/23/1440709923.db2.gz WVRKTPHKQCGMNI-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001754952112 1440715199 /nfs/dbraw/zinc/71/51/99/1440715199.db2.gz RKQPWQXXHWLINV-FHWLQOOXSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001754960515 1440717376 /nfs/dbraw/zinc/71/73/76/1440717376.db2.gz MUQZTMYGRRDYGO-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001754961694 1440717844 /nfs/dbraw/zinc/71/78/44/1440717844.db2.gz CRJMQGDXCYDWCO-UEKDZROGSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001755024433 1440728117 /nfs/dbraw/zinc/72/81/17/1440728117.db2.gz YLVANBSLZWJVKI-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001755024679 1440728244 /nfs/dbraw/zinc/72/82/44/1440728244.db2.gz GILPZKBVAUONQF-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001755031090 1440731443 /nfs/dbraw/zinc/73/14/43/1440731443.db2.gz MQNVQYQWFLLCIT-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001755031303 1440731737 /nfs/dbraw/zinc/73/17/37/1440731737.db2.gz OOACDUVOPXBSJL-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CCC1([NH2+]C/C=C\Cl)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755072928 1440747256 /nfs/dbraw/zinc/74/72/56/1440747256.db2.gz ZBUWMWWOHSEXFZ-YFHOEESVSA-N 2 0 343.943 3.078 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccc2c(c1)C[NH+](CC1CCCC1)C2 ZINC001755101582 1440752771 /nfs/dbraw/zinc/75/27/71/1440752771.db2.gz QMVDOEHHAOJLJV-UHFFFAOYSA-N 2 0 343.515 3.150 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC(C)([NH2+]CCC2CC2)CC1 ZINC001755129230 1440756835 /nfs/dbraw/zinc/75/68/35/1440756835.db2.gz IZSWJUABJUZILV-UHFFFAOYSA-N 2 0 349.544 3.194 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCC(C)(C)C ZINC001755163238 1440765848 /nfs/dbraw/zinc/76/58/48/1440765848.db2.gz FPJLHNQDJAHSCX-DLBZAZTESA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)[C@@H](C)C1 ZINC001755165145 1440766731 /nfs/dbraw/zinc/76/67/31/1440766731.db2.gz GCWNFDPLERAQQN-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001755175884 1440770845 /nfs/dbraw/zinc/77/08/45/1440770845.db2.gz LCHVVZMLXILSNA-ARJAWSKDSA-N 2 0 347.547 3.143 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@H+](C)CCC2=CCCCC2)CC1 ZINC001755198284 1440778334 /nfs/dbraw/zinc/77/83/34/1440778334.db2.gz XGLOFZXWCQRZOT-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1C ZINC001755200350 1440779358 /nfs/dbraw/zinc/77/93/58/1440779358.db2.gz GNEQYCSZMBYMOR-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001755204655 1440781799 /nfs/dbraw/zinc/78/17/99/1440781799.db2.gz MBZXZHFLKQPNNI-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001755254896 1440792887 /nfs/dbraw/zinc/79/28/87/1440792887.db2.gz AHAKRZYIOXFHKA-MSOLQXFVSA-N 2 0 347.547 3.264 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755264279 1440795609 /nfs/dbraw/zinc/79/56/09/1440795609.db2.gz TWCWYIDWOXANBV-LSDHHAIUSA-N 2 0 347.528 3.226 20 0 EGADRP C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001755271426 1440797791 /nfs/dbraw/zinc/79/77/91/1440797791.db2.gz SSBRDRPNNPBBNS-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC001755275069 1440798750 /nfs/dbraw/zinc/79/87/50/1440798750.db2.gz QQRPHWHANLCFFV-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]CC1=CCCCC1 ZINC001755287219 1440802433 /nfs/dbraw/zinc/80/24/33/1440802433.db2.gz RZAWWZYXCGPSMM-ROUUACIJSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001755342990 1440825903 /nfs/dbraw/zinc/82/59/03/1440825903.db2.gz ONSLDHVOXJOJCW-UXHICEINSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC001755416562 1440849266 /nfs/dbraw/zinc/84/92/66/1440849266.db2.gz UTJQBRUYYNXFQG-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001755552713 1440872622 /nfs/dbraw/zinc/87/26/22/1440872622.db2.gz XUOHCPUSJAWJBD-RTBURBONSA-N 2 0 337.552 3.029 20 0 EGADRP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755563569 1440875077 /nfs/dbraw/zinc/87/50/77/1440875077.db2.gz BLELGNMSNACIEW-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001755610508 1440886937 /nfs/dbraw/zinc/88/69/37/1440886937.db2.gz GTZFXMRSYMMTIU-SFHVURJKSA-N 2 0 349.563 3.434 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001755619067 1440890003 /nfs/dbraw/zinc/89/00/03/1440890003.db2.gz TXJYLPNHUXJCEO-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755685933 1440895960 /nfs/dbraw/zinc/89/59/60/1440895960.db2.gz CWWWTLZRIJVCCA-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001755687630 1440896236 /nfs/dbraw/zinc/89/62/36/1440896236.db2.gz BQOBUEYBMURUFX-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CCCC[NH+](C)C ZINC001755689445 1440896464 /nfs/dbraw/zinc/89/64/64/1440896464.db2.gz PATJKBPCWVBQIC-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001755700013 1440899489 /nfs/dbraw/zinc/89/94/89/1440899489.db2.gz FLRNEVCFBKZGFR-QUCCMNQESA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001755703515 1440901412 /nfs/dbraw/zinc/90/14/12/1440901412.db2.gz YKERFBGOFPKUCG-AZUAARDMSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001755717832 1440905923 /nfs/dbraw/zinc/90/59/23/1440905923.db2.gz JPIZYCPILHQGDS-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001755738554 1440911289 /nfs/dbraw/zinc/91/12/89/1440911289.db2.gz UKMBRFZKHQQEBR-QVOQXLMASA-N 2 0 347.547 3.093 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001755743602 1440912045 /nfs/dbraw/zinc/91/20/45/1440912045.db2.gz KRMGKDOEDZKXHV-UYAOXDASSA-N 2 0 347.547 3.093 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001755743881 1440912194 /nfs/dbraw/zinc/91/21/94/1440912194.db2.gz OURFPNVOQXLSLF-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001755749609 1440913020 /nfs/dbraw/zinc/91/30/20/1440913020.db2.gz LPXUNBCXDCWTRP-MOPGFXCFSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1)[NH+](CC)CC ZINC001755762273 1440915216 /nfs/dbraw/zinc/91/52/16/1440915216.db2.gz ZMPXMWHXECBZKX-MOPGFXCFSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001755826004 1440927268 /nfs/dbraw/zinc/92/72/68/1440927268.db2.gz YTUSOOVVTHOGFM-SJORKVTESA-N 2 0 339.568 3.273 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001755832580 1440929098 /nfs/dbraw/zinc/92/90/98/1440929098.db2.gz PZJKCWIRPKAYCD-FUHWJXTLSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001755849056 1440934372 /nfs/dbraw/zinc/93/43/72/1440934372.db2.gz WLMYNLNFKULGER-SFHVURJKSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001755868806 1440938410 /nfs/dbraw/zinc/93/84/10/1440938410.db2.gz HYBDDABEVFJSMY-PYTPGESOSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C/CC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001755868808 1440938442 /nfs/dbraw/zinc/93/84/42/1440938442.db2.gz HYBDDABEVFJSMY-WRFKIARRSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1[nH+]c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc2[nH]ccc21 ZINC001164727634 720424466 /nfs/dbraw/zinc/42/44/66/720424466.db2.gz DTHZDVMKXBQQKD-RBUKOAKNSA-N 2 0 333.439 3.120 20 0 EGADRP OCc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000174367953 231190327 /nfs/dbraw/zinc/19/03/27/231190327.db2.gz YFXUPHVTEMVJAD-UHFFFAOYSA-N 2 0 348.874 3.427 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)C1c2ccccc2-c2ccccc21 ZINC000174725568 529887472 /nfs/dbraw/zinc/88/74/72/529887472.db2.gz BDZPHUJRLRJEEE-UHFFFAOYSA-N 2 0 335.495 3.326 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000165881619 530001439 /nfs/dbraw/zinc/00/14/39/530001439.db2.gz PPHJCBPKHNZUQN-GOSISDBHSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000181129057 234092853 /nfs/dbraw/zinc/09/28/53/234092853.db2.gz GTRXRRNSZXIIDW-INIZCTEOSA-N 2 0 343.471 3.466 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131183614 223211134 /nfs/dbraw/zinc/21/11/34/223211134.db2.gz LGVNOVVJOSIEHE-QGZVFWFLSA-N 2 0 334.504 3.483 20 0 EGADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000376320909 242064000 /nfs/dbraw/zinc/06/40/00/242064000.db2.gz XFSGQUITUPABOP-MXASKKJJSA-N 2 0 344.421 3.188 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236713303 242330549 /nfs/dbraw/zinc/33/05/49/242330549.db2.gz ANLVJQMPQKYVBF-FXAWDEMLSA-N 2 0 345.531 3.197 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NC(C)(C)C ZINC000112708748 296135485 /nfs/dbraw/zinc/13/54/85/296135485.db2.gz IDONYAFMXQMSEV-QGZVFWFLSA-N 2 0 345.531 3.455 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000262608987 245063243 /nfs/dbraw/zinc/06/32/43/245063243.db2.gz BKPBGFBVMOOKPK-NSHGMRRFSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000049554104 214018849 /nfs/dbraw/zinc/01/88/49/214018849.db2.gz QEAUODWVXYJJKM-NEPJUHHUSA-N 2 0 346.256 3.282 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000343752597 284367127 /nfs/dbraw/zinc/36/71/27/284367127.db2.gz IHNCRKXGIWDASC-GOSISDBHSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccccc1 ZINC000343801431 284371314 /nfs/dbraw/zinc/37/13/14/284371314.db2.gz IWQLOWUBBPLQBB-LMNJBCLMSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377633579 169052521 /nfs/dbraw/zinc/05/25/21/169052521.db2.gz VKRLCCUDPBAKNS-SUMDDJOVSA-N 2 0 331.504 3.003 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378632935 169150441 /nfs/dbraw/zinc/15/04/41/169150441.db2.gz NKOVIQJGGPPAJC-XWPNQZOQSA-N 2 0 334.479 3.330 20 0 EGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(C[NH+](C)C)c3)c(C)n2n1 ZINC000093371664 218219490 /nfs/dbraw/zinc/21/94/90/218219490.db2.gz KWDDQGNMEDWBFX-OAHLLOKOSA-N 2 0 337.471 3.259 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000362523875 284786660 /nfs/dbraw/zinc/78/66/60/284786660.db2.gz WOSMKHQXNBVBTO-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@@H](C)C1 ZINC000268709360 252159498 /nfs/dbraw/zinc/15/94/98/252159498.db2.gz CVVKAYHIPCQWNK-ICSRJNTNSA-N 2 0 334.504 3.182 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1)C[NH+]1CCCCC1 ZINC000268801363 252256008 /nfs/dbraw/zinc/25/60/08/252256008.db2.gz QFMZPQUXKVTCJR-RTBURBONSA-N 2 0 345.531 3.296 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000268861275 252310304 /nfs/dbraw/zinc/31/03/04/252310304.db2.gz ZBZOXLIURKENGI-ZFWWWQNUSA-N 2 0 344.425 3.222 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153766637 224155525 /nfs/dbraw/zinc/15/55/25/224155525.db2.gz SDWQBTXSMZXTIO-UZLBHIALSA-N 2 0 328.456 3.011 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841825 221195267 /nfs/dbraw/zinc/19/52/67/221195267.db2.gz BGYDKRHABWQJJK-OAHLLOKOSA-N 2 0 335.517 3.011 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4ccc(Cl)cc43)C2)CC1 ZINC000677804992 549333573 /nfs/dbraw/zinc/33/35/73/549333573.db2.gz JIDOLCVUFZPHDI-PXNSSMCTSA-N 2 0 347.934 3.476 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cncs1 ZINC000268830991 141059891 /nfs/dbraw/zinc/05/98/91/141059891.db2.gz QUJFGHYSHAKQRG-AEFFLSMTSA-N 2 0 344.528 3.173 20 0 EGADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812886 141150517 /nfs/dbraw/zinc/15/05/17/141150517.db2.gz DOEJDRBKHJMPTQ-NQIIRXRSSA-N 2 0 346.515 3.454 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cscc3Br)CC[C@H]21 ZINC000347912152 141215524 /nfs/dbraw/zinc/21/55/24/141215524.db2.gz MDQZQYFLUJJLJF-BXUZGUMPSA-N 2 0 329.307 3.427 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347912197 141215583 /nfs/dbraw/zinc/21/55/83/141215583.db2.gz TVPCOXCJIZCDAI-FQEVSTJZSA-N 2 0 345.531 3.089 20 0 EGADRP Cc1nc2ccccn2c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934424 141220373 /nfs/dbraw/zinc/22/03/73/141220373.db2.gz OEPKXXZKDSFHND-WBVHZDCISA-N 2 0 326.488 3.385 20 0 EGADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000353461079 141302168 /nfs/dbraw/zinc/30/21/68/141302168.db2.gz ABLUGOWWWUKVEH-VQTJNVASSA-N 2 0 343.515 3.491 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)cc1)C(C)C ZINC000356848072 141353760 /nfs/dbraw/zinc/35/37/60/141353760.db2.gz KNBHSJDBJZPLFK-SJORKVTESA-N 2 0 331.504 3.082 20 0 EGADRP CCOC(=O)CCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184744190 144098578 /nfs/dbraw/zinc/09/85/78/144098578.db2.gz LRPMZUDNLSMKPM-IAGOWNOFSA-N 2 0 332.488 3.076 20 0 EGADRP C[C@@H]1CCCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000187922268 144166552 /nfs/dbraw/zinc/16/65/52/144166552.db2.gz QTSHEQUJCJZRTI-GOSISDBHSA-N 2 0 343.515 3.021 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000347032585 144251162 /nfs/dbraw/zinc/25/11/62/144251162.db2.gz ATUJOVXZQTXPSD-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCOc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000351495021 144269373 /nfs/dbraw/zinc/26/93/73/144269373.db2.gz OTAPXTSCQFRSEI-APHBMKBZSA-N 2 0 328.378 3.143 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000351522840 144273801 /nfs/dbraw/zinc/27/38/01/144273801.db2.gz BLQSCXBQRWFBMO-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847526 144316014 /nfs/dbraw/zinc/31/60/14/144316014.db2.gz AEMZAPSCIWNONL-CVEARBPZSA-N 2 0 339.439 3.087 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(CO)c1 ZINC000305675833 154102453 /nfs/dbraw/zinc/10/24/53/154102453.db2.gz ZWYRRZASWURRCA-GHTZIAJQSA-N 2 0 338.495 3.394 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336693946 154208682 /nfs/dbraw/zinc/20/86/82/154208682.db2.gz IBZNBHLBTWEJPH-VQTJNVASSA-N 2 0 326.488 3.019 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](OCC)C12CCCCC2 ZINC000344157941 286443500 /nfs/dbraw/zinc/44/35/00/286443500.db2.gz BWPDTFPQJFSRTO-SQNIBIBYSA-N 2 0 326.525 3.061 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C[C@H]21 ZINC000346818044 156149863 /nfs/dbraw/zinc/14/98/63/156149863.db2.gz AILZHJNAUOFUKA-GZBFAFLISA-N 2 0 346.368 3.326 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@@H]21 ZINC000346821616 156152929 /nfs/dbraw/zinc/15/29/29/156152929.db2.gz IZLYCRMUTKPLFS-IMFGXOCKSA-N 2 0 325.431 3.447 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000346871279 156171692 /nfs/dbraw/zinc/17/16/92/156171692.db2.gz FWSLQIYZKCKELC-ROUUACIJSA-N 2 0 345.531 3.280 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000349091588 156352470 /nfs/dbraw/zinc/35/24/70/156352470.db2.gz YNLRMNZVPXXDTA-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000349122580 156359566 /nfs/dbraw/zinc/35/95/66/156359566.db2.gz ZENPURMJMIMSKJ-SJORKVTESA-N 2 0 337.533 3.122 20 0 EGADRP CN(Cc1ccc(Cl)cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372557165 157355761 /nfs/dbraw/zinc/35/57/61/157355761.db2.gz ZEDWJCVDPKQLBF-QGZVFWFLSA-N 2 0 339.886 3.079 20 0 EGADRP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)CC1CC[NH+](C)CC1 ZINC000093791101 162028374 /nfs/dbraw/zinc/02/83/74/162028374.db2.gz ZAPHAYIYDZDVAR-HXUWFJFHSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@@H](c1cccc(Br)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070193 162039789 /nfs/dbraw/zinc/03/97/89/162039789.db2.gz HIIMPJFSQYXAGN-ZDUSSCGKSA-N 2 0 341.293 3.340 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2CC)cc1)C1CC1 ZINC000110993621 162141385 /nfs/dbraw/zinc/14/13/85/162141385.db2.gz OLKLADBBNZKDPY-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@H](C)O1 ZINC000112686466 162186601 /nfs/dbraw/zinc/18/66/01/162186601.db2.gz YMFYDXQWABVHKO-ROUUACIJSA-N 2 0 345.531 3.074 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cnn1C ZINC000248419418 163002955 /nfs/dbraw/zinc/00/29/55/163002955.db2.gz VBLQCBHXVSXCTI-DZLUEKEQSA-N 2 0 338.499 3.290 20 0 EGADRP Cc1ccncc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000354331758 166004694 /nfs/dbraw/zinc/00/46/94/166004694.db2.gz SBXIDGRNUOFFMC-UHFFFAOYSA-N 2 0 325.456 3.154 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccnn2C)c1 ZINC000338440660 163227921 /nfs/dbraw/zinc/22/79/21/163227921.db2.gz PRJROUUHESHUOY-ZWKOTPCHSA-N 2 0 326.488 3.358 20 0 EGADRP Cc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(-c2ccnn2C)c1 ZINC000338460746 163231397 /nfs/dbraw/zinc/23/13/97/163231397.db2.gz VEYMLLFPYMEZCQ-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP C[NH+](C)CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000338533740 163263264 /nfs/dbraw/zinc/26/32/64/163263264.db2.gz AFPGADWLFXLNKB-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000338573609 163278127 /nfs/dbraw/zinc/27/81/27/163278127.db2.gz KALXKHOVARDKIH-XLIONFOSSA-N 2 0 343.515 3.227 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000354362493 166009766 /nfs/dbraw/zinc/00/97/66/166009766.db2.gz WTBJRZCMKVSHEB-WOJBJXKFSA-N 2 0 345.531 3.276 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000343937066 164069548 /nfs/dbraw/zinc/06/95/48/164069548.db2.gz PNZBAKJOVZOZRW-HXUWFJFHSA-N 2 0 325.456 3.263 20 0 EGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H](C)c1ccccc1 ZINC000344140999 164113051 /nfs/dbraw/zinc/11/30/51/164113051.db2.gz ZFTCBSZIJSAAJL-DLBZAZTESA-N 2 0 327.472 3.304 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC000344263091 164140817 /nfs/dbraw/zinc/14/08/17/164140817.db2.gz HXDLSNNJCMPVLD-OALUTQOASA-N 2 0 345.531 3.123 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000344596273 164196091 /nfs/dbraw/zinc/19/60/91/164196091.db2.gz XGOYUWGWLUCVBH-QUCCMNQESA-N 2 0 332.488 3.066 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000344600949 164196930 /nfs/dbraw/zinc/19/69/30/164196930.db2.gz JCZOOXLMYUZFIE-AEFFLSMTSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000345663184 164237092 /nfs/dbraw/zinc/23/70/92/164237092.db2.gz YUTAPCKOFPJQDN-MHORFTMASA-N 2 0 345.531 3.493 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[NH+](CC)CC ZINC000345788303 164266046 /nfs/dbraw/zinc/26/60/46/164266046.db2.gz QHKDQJSPWBSDCP-SJORKVTESA-N 2 0 335.492 3.043 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000346691797 164416455 /nfs/dbraw/zinc/41/64/55/164416455.db2.gz WJZHDTBGAWKRBG-UHFFFAOYSA-N 2 0 325.456 3.078 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c(C)cc(C)nc2OC)CC1 ZINC000347047436 164437130 /nfs/dbraw/zinc/43/71/30/164437130.db2.gz HBXVZUJRTIAQII-UHFFFAOYSA-N 2 0 349.519 3.030 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000347192234 164458153 /nfs/dbraw/zinc/45/81/53/164458153.db2.gz FSYKQXPTAVYYII-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[C@@H](CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000354897216 166058607 /nfs/dbraw/zinc/05/86/07/166058607.db2.gz ROPCINJLKYFJPD-IBGZPJMESA-N 2 0 346.515 3.026 20 0 EGADRP CCOc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1OC(F)F ZINC000350144249 165010613 /nfs/dbraw/zinc/01/06/13/165010613.db2.gz CLCGDBVGGMTIAY-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000350175652 165015538 /nfs/dbraw/zinc/01/55/38/165015538.db2.gz IEBDRXBNLFAAHY-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000355225010 166139207 /nfs/dbraw/zinc/13/92/07/166139207.db2.gz RDNIBDMQLDTFAQ-PKOBYXMFSA-N 2 0 339.483 3.133 20 0 EGADRP COCC[NH+]1CCC(N[C@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000355288196 166154670 /nfs/dbraw/zinc/15/46/70/166154670.db2.gz XCGMQCCKRUCBQF-OAQYLSRUSA-N 2 0 339.483 3.180 20 0 EGADRP CCCn1c2ccccc2nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357058771 166574903 /nfs/dbraw/zinc/57/49/03/166574903.db2.gz WIRLNPBBJQJLRG-QGZVFWFLSA-N 2 0 326.488 3.268 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000357851291 166792257 /nfs/dbraw/zinc/79/22/57/166792257.db2.gz NXYWRFUCGZAQNY-KRWDZBQOSA-N 2 0 345.531 3.138 20 0 EGADRP CC[NH2+][C@H](C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000358926761 167008213 /nfs/dbraw/zinc/00/82/13/167008213.db2.gz CHHATOTWUNTHDV-QGZVFWFLSA-N 2 0 339.483 3.046 20 0 EGADRP CC[NH+](CC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1)C1CC1 ZINC000359011305 167036586 /nfs/dbraw/zinc/03/65/86/167036586.db2.gz GVWQGSHFRYMMOR-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000359232273 167102309 /nfs/dbraw/zinc/10/23/09/167102309.db2.gz IVEPIKFKXYEQFY-KNQAVFIVSA-N 2 0 336.479 3.339 20 0 EGADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)C[NH+](C)C ZINC000359277290 167113259 /nfs/dbraw/zinc/11/32/59/167113259.db2.gz DRPWOTXIAIMPGU-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359315177 167123068 /nfs/dbraw/zinc/12/30/68/167123068.db2.gz VUYDUGKJAPGKMR-LZQZEXGQSA-N 2 0 335.451 3.151 20 0 EGADRP CC[NH+](Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1)C1CC1 ZINC000359472252 167166284 /nfs/dbraw/zinc/16/62/84/167166284.db2.gz KPZSUDKQOVLGJE-GOSISDBHSA-N 2 0 343.515 3.085 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2cc(OC)ccc2c1 ZINC000360239946 167279246 /nfs/dbraw/zinc/27/92/46/167279246.db2.gz DAMCPDKAUMKHRJ-CTNGQTDRSA-N 2 0 342.483 3.346 20 0 EGADRP CCN(C(=O)[C@H](C)N1CCC2(CCC[N@@H+]2C)CC1)C1CCCCC1 ZINC000360507530 167344271 /nfs/dbraw/zinc/34/42/71/167344271.db2.gz OJZVMMZCEJRDJC-KRWDZBQOSA-N 2 0 335.536 3.116 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000360590192 167365428 /nfs/dbraw/zinc/36/54/28/167365428.db2.gz BKPAWHXWVOWASC-KRWDZBQOSA-N 2 0 333.451 3.311 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000361611554 167630085 /nfs/dbraw/zinc/63/00/85/167630085.db2.gz SOODPTZAVDRXEF-PKOBYXMFSA-N 2 0 343.515 3.237 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000365075392 168018980 /nfs/dbraw/zinc/01/89/80/168018980.db2.gz XWSXCEZEAAVOCA-UHFFFAOYSA-N 2 0 332.488 3.208 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)COC(C)C)CC2)cc1 ZINC000367067013 168175391 /nfs/dbraw/zinc/17/53/91/168175391.db2.gz PPRDQDMUKYVUOI-QGZVFWFLSA-N 2 0 334.504 3.310 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261855862 287275968 /nfs/dbraw/zinc/27/59/68/287275968.db2.gz NWHHDADVVZXYSC-MSOLQXFVSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262492641 287276192 /nfs/dbraw/zinc/27/61/92/287276192.db2.gz ZRFZMJXREXVMJQ-KSZLIROESA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccn1 ZINC000158815023 225090415 /nfs/dbraw/zinc/09/04/15/225090415.db2.gz YOZOAFOWJCUSAD-IBGZPJMESA-N 2 0 338.499 3.335 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000179021960 265357781 /nfs/dbraw/zinc/35/77/81/265357781.db2.gz JKLZKMJOWOBZJA-ABSDTBQOSA-N 2 0 346.515 3.032 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000236908950 266219179 /nfs/dbraw/zinc/21/91/79/266219179.db2.gz RFPBHWZSRFWQAD-VQTJNVASSA-N 2 0 345.531 3.442 20 0 EGADRP c1cc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000269677878 266339085 /nfs/dbraw/zinc/33/90/85/266339085.db2.gz SMBQMVLPJSZBLV-QUCCMNQESA-N 2 0 326.484 3.113 20 0 EGADRP c1cc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000269677881 266339948 /nfs/dbraw/zinc/33/99/48/266339948.db2.gz SMBQMVLPJSZBLV-UYAOXDASSA-N 2 0 326.484 3.113 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2nsnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273302687 267016529 /nfs/dbraw/zinc/01/65/29/267016529.db2.gz RPIAWQLRAPMZDJ-HIFRSBDPSA-N 2 0 330.501 3.434 20 0 EGADRP Cc1noc(CCC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000274070542 267175442 /nfs/dbraw/zinc/17/54/42/267175442.db2.gz REYHQZBXQQCLMQ-HOTGVXAUSA-N 2 0 342.487 3.057 20 0 EGADRP CCc1ccccc1CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000277687884 267844749 /nfs/dbraw/zinc/84/47/49/267844749.db2.gz KYYPJNNQVDAGRH-UHFFFAOYSA-N 2 0 343.559 3.282 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC(F)F ZINC000278477344 268022357 /nfs/dbraw/zinc/02/23/57/268022357.db2.gz IPZWMYOSCZEVIU-UHFFFAOYSA-N 2 0 340.414 3.261 20 0 EGADRP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000278485637 268024165 /nfs/dbraw/zinc/02/41/65/268024165.db2.gz BAMZWUSRXSLSIF-AYWYSENESA-N 2 0 330.516 3.285 20 0 EGADRP Brc1csc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278525602 268032054 /nfs/dbraw/zinc/03/20/54/268032054.db2.gz SZYPYRORUGJWFG-UHFFFAOYSA-N 2 0 329.307 3.475 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000246541262 275052907 /nfs/dbraw/zinc/05/29/07/275052907.db2.gz VYCISEPBVGEHMV-SLFFLAALSA-N 2 0 332.463 3.171 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000104144531 275164003 /nfs/dbraw/zinc/16/40/03/275164003.db2.gz ACHMZFSPHCUJCO-LJQANCHMSA-N 2 0 331.504 3.017 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000194849250 275228059 /nfs/dbraw/zinc/22/80/59/275228059.db2.gz NKILYEKBOCRCJW-QGZVFWFLSA-N 2 0 335.561 3.477 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CCC[NH+]2CCCCC2)C1 ZINC000195185906 275231026 /nfs/dbraw/zinc/23/10/26/275231026.db2.gz ADOTVFUTBKCVJK-LJQANCHMSA-N 2 0 339.524 3.099 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195186529 275231195 /nfs/dbraw/zinc/23/11/95/275231195.db2.gz YOPSCTNJTXXBFC-LJQANCHMSA-N 2 0 339.524 3.096 20 0 EGADRP COc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1O ZINC000245552563 275232604 /nfs/dbraw/zinc/23/26/04/275232604.db2.gz DBAOVMWBWKTHDH-WMZOPIPTSA-N 2 0 332.488 3.487 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000271898674 275239651 /nfs/dbraw/zinc/23/96/51/275239651.db2.gz VAOQVZUWSWYFSM-AWEZNQCLSA-N 2 0 328.435 3.232 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000271919926 275241622 /nfs/dbraw/zinc/24/16/22/275241622.db2.gz ZWDQNPJROPHGCV-MRXNPFEDSA-N 2 0 339.252 3.427 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000279648862 275346634 /nfs/dbraw/zinc/34/66/34/275346634.db2.gz BQIIFEKJVVEPSQ-DVWBAYGPSA-N 2 0 346.515 3.120 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000279789810 275359537 /nfs/dbraw/zinc/35/95/37/275359537.db2.gz UXAXFFRRCWUGNT-XSYGEPLQSA-N 2 0 334.504 3.242 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000279928175 275377087 /nfs/dbraw/zinc/37/70/87/275377087.db2.gz MYUSDNABFWJMHQ-OWCLPIDISA-N 2 0 332.488 3.270 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000279928168 275377157 /nfs/dbraw/zinc/37/71/57/275377157.db2.gz MYUSDNABFWJMHQ-OAGGEKHMSA-N 2 0 332.488 3.270 20 0 EGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000283466444 275725871 /nfs/dbraw/zinc/72/58/71/275725871.db2.gz ZEXQYIKFYQKQFP-GOSISDBHSA-N 2 0 333.520 3.070 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000284434033 275800306 /nfs/dbraw/zinc/80/03/06/275800306.db2.gz SGWAUQPDYYUUIY-UHFFFAOYSA-N 2 0 342.487 3.004 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000285468631 275879078 /nfs/dbraw/zinc/87/90/78/275879078.db2.gz APYRMSNABQYXFR-GJZGRUSLSA-N 2 0 333.476 3.179 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1OC ZINC000285912671 275926435 /nfs/dbraw/zinc/92/64/35/275926435.db2.gz DHZITKHUQBBELX-OAHLLOKOSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000286866691 276051734 /nfs/dbraw/zinc/05/17/34/276051734.db2.gz BNALISFYXXGUNB-NYVOZVTQSA-N 2 0 338.495 3.090 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000286938229 276060353 /nfs/dbraw/zinc/06/03/53/276060353.db2.gz LXJKZNZWYNIFDZ-DLBZAZTESA-N 2 0 329.492 3.428 20 0 EGADRP CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000287474292 276122936 /nfs/dbraw/zinc/12/29/36/276122936.db2.gz SOGBTDAZEOBVPF-UHFFFAOYSA-N 2 0 343.515 3.230 20 0 EGADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000287765637 276155293 /nfs/dbraw/zinc/15/52/93/276155293.db2.gz MODMBGDLVJHYAU-NSISKUIASA-N 2 0 348.918 3.192 20 0 EGADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367816332 276275283 /nfs/dbraw/zinc/27/52/83/276275283.db2.gz SPHXPDSXENYDTG-FUHWJXTLSA-N 2 0 336.520 3.305 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc21 ZINC000289264288 276313203 /nfs/dbraw/zinc/31/32/03/276313203.db2.gz OOTYPBCQVJPFOO-OXQOHEQNSA-N 2 0 336.483 3.172 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000289333092 276323428 /nfs/dbraw/zinc/32/34/28/276323428.db2.gz VWWXZUDTGAAHLH-OXJNMPFZSA-N 2 0 340.515 3.079 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000289354063 276326572 /nfs/dbraw/zinc/32/65/72/276326572.db2.gz XWQCPHQXJKFTQR-HOTGVXAUSA-N 2 0 334.529 3.281 20 0 EGADRP Cc1nnc(CC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)s1 ZINC000289449362 276340646 /nfs/dbraw/zinc/34/06/46/276340646.db2.gz BLCVTKSQBYKEHT-UHFFFAOYSA-N 2 0 332.517 3.137 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H](O)c1ccccc1 ZINC000290441552 276496093 /nfs/dbraw/zinc/49/60/93/276496093.db2.gz VPQDFIHVOZTYCC-FVJLSDCUSA-N 2 0 342.483 3.400 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000292022790 276722150 /nfs/dbraw/zinc/72/21/50/276722150.db2.gz FOUXHTAKYJRENS-HXUWFJFHSA-N 2 0 343.515 3.211 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123183948 277051626 /nfs/dbraw/zinc/05/16/26/277051626.db2.gz GGRNJTSLFORRDA-WOJBJXKFSA-N 2 0 329.532 3.186 20 0 EGADRP CO[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000370705835 277337149 /nfs/dbraw/zinc/33/71/49/277337149.db2.gz JORSLNOJPOGJCM-FQEVSTJZSA-N 2 0 345.531 3.218 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1nccc2ccccc21 ZINC000377742131 278274196 /nfs/dbraw/zinc/27/41/96/278274196.db2.gz GTYQBCOUAQPRAB-FUHWJXTLSA-N 2 0 338.499 3.054 20 0 EGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342756210 278395837 /nfs/dbraw/zinc/39/58/37/278395837.db2.gz SSPVPOQQMHZRPQ-KUHUBIRLSA-N 2 0 336.907 3.352 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000186563639 279263502 /nfs/dbraw/zinc/26/35/02/279263502.db2.gz YSNXVDGLVAFNAG-IEBWSBKVSA-N 2 0 343.515 3.049 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000268855387 279375077 /nfs/dbraw/zinc/37/50/77/279375077.db2.gz GRAKASKGIJXYPY-JYJNAYRXSA-N 2 0 337.483 3.042 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C(C)(C)n1cncn1 ZINC000367998886 279453274 /nfs/dbraw/zinc/45/32/74/279453274.db2.gz VLGQESHCOPZQKQ-AOCRQIFASA-N 2 0 333.524 3.034 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179232 281210012 /nfs/dbraw/zinc/21/00/12/281210012.db2.gz RGNFMXQTSUQCCX-SFHVURJKSA-N 2 0 343.515 3.438 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261605474 290012659 /nfs/dbraw/zinc/01/26/59/290012659.db2.gz COOJTWZIOZWLLU-XDKFSHSGSA-N 2 0 330.476 3.139 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000061794735 307353197 /nfs/dbraw/zinc/35/31/97/307353197.db2.gz XABOROVUBAQVQC-UHFFFAOYSA-N 2 0 348.535 3.056 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000090408799 307458439 /nfs/dbraw/zinc/45/84/39/307458439.db2.gz ZDMHRRHBJJEAST-UTKZUKDTSA-N 2 0 329.532 3.413 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414115275 309061852 /nfs/dbraw/zinc/06/18/52/309061852.db2.gz MSFONYXWZZGUFL-AYBZRNKSSA-N 2 0 335.923 3.202 20 0 EGADRP COC(=O)c1cnc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)s1 ZINC000414122408 309062179 /nfs/dbraw/zinc/06/21/79/309062179.db2.gz NXNQFNNTZNFNIY-CQSZACIVSA-N 2 0 339.505 3.237 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000414191385 309065910 /nfs/dbraw/zinc/06/59/10/309065910.db2.gz SLDMLVBHRKWWSE-GJZGRUSLSA-N 2 0 329.488 3.299 20 0 EGADRP Cc1occc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000414271575 309069815 /nfs/dbraw/zinc/06/98/15/309069815.db2.gz QWUVTCVKNPMZRB-HOTGVXAUSA-N 2 0 328.456 3.487 20 0 EGADRP COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000414308466 309072035 /nfs/dbraw/zinc/07/20/35/309072035.db2.gz QHTIIYICFRUHGV-MTFMMBMASA-N 2 0 328.500 3.444 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000248693695 308009411 /nfs/dbraw/zinc/00/94/11/308009411.db2.gz JZPMPVNIIRGTDD-ULQDDVLXSA-N 2 0 336.524 3.312 20 0 EGADRP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCC4CCOCC4)C3)C2)cc1 ZINC000293426935 308129616 /nfs/dbraw/zinc/12/96/16/308129616.db2.gz TYKOPHKVSMBXJI-NRFANRHFSA-N 2 0 328.500 3.401 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000293704826 308154371 /nfs/dbraw/zinc/15/43/71/308154371.db2.gz MIPQXWABKPROQC-CABCVRRESA-N 2 0 338.879 3.116 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293840518 308166828 /nfs/dbraw/zinc/16/68/28/308166828.db2.gz SUSREELFJBFGRQ-HXUWFJFHSA-N 2 0 349.950 3.278 20 0 EGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294692794 308246580 /nfs/dbraw/zinc/24/65/80/308246580.db2.gz ATOOISOERMZTLY-COSYGPSOSA-N 2 0 332.488 3.411 20 0 EGADRP CC[C@@H](C)[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000294831207 308262029 /nfs/dbraw/zinc/26/20/29/308262029.db2.gz PZFWTMONHBCRGD-UTKZUKDTSA-N 2 0 347.547 3.368 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000295200987 308302351 /nfs/dbraw/zinc/30/23/51/308302351.db2.gz PBINUYAAMGJKIS-HBFSDRIKSA-N 2 0 343.515 3.108 20 0 EGADRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000295302072 308312350 /nfs/dbraw/zinc/31/23/50/308312350.db2.gz XUCPVMLFAHOOSI-CQSZACIVSA-N 2 0 326.431 3.159 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656838 309093987 /nfs/dbraw/zinc/09/39/87/309093987.db2.gz GHGXFZLFJYELIA-CVEARBPZSA-N 2 0 339.487 3.229 20 0 EGADRP CC(C)C[C@@H]([NH3+])c1noc(-c2ccccc2CC2CC[NH2+]CC2)n1 ZINC000414619211 309091933 /nfs/dbraw/zinc/09/19/33/309091933.db2.gz KGFNYFDZEBKVNT-QGZVFWFLSA-N 2 0 328.460 3.325 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccsc1 ZINC000295964790 308379413 /nfs/dbraw/zinc/37/94/13/308379413.db2.gz MIKLMJYAGFBGHW-QGZVFWFLSA-N 2 0 330.501 3.136 20 0 EGADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)C1 ZINC000414716143 309097010 /nfs/dbraw/zinc/09/70/10/309097010.db2.gz ZJTNLISIPDONDF-RBUKOAKNSA-N 2 0 335.536 3.009 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414682427 309095306 /nfs/dbraw/zinc/09/53/06/309095306.db2.gz REJZNOVXLXNDDY-SJLPKXTDSA-N 2 0 335.923 3.236 20 0 EGADRP COc1ccc(C[N@H+](CC2CC2)C[C@@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000414758617 309099070 /nfs/dbraw/zinc/09/90/70/309099070.db2.gz VCTXFKUWHONGKP-DOTOQJQBSA-N 2 0 332.488 3.304 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414757601 309099084 /nfs/dbraw/zinc/09/90/84/309099084.db2.gz SUYIVOBMJWXALV-WBVHZDCISA-N 2 0 346.906 3.464 20 0 EGADRP CCCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414767634 309099537 /nfs/dbraw/zinc/09/95/37/309099537.db2.gz JXZYDQFTEBTQDD-HDICACEKSA-N 2 0 332.488 3.306 20 0 EGADRP c1ccc(COc2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000414767635 309099585 /nfs/dbraw/zinc/09/95/85/309099585.db2.gz JYBRKYBLFWXPSQ-HDICACEKSA-N 2 0 337.467 3.092 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414772814 309099883 /nfs/dbraw/zinc/09/98/83/309099883.db2.gz CNLOPFUTYYMMCU-KGLIPLIRSA-N 2 0 340.414 3.118 20 0 EGADRP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778924 309100430 /nfs/dbraw/zinc/10/04/30/309100430.db2.gz JPNMKCJSXSDYBX-GJZGRUSLSA-N 2 0 328.378 3.407 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000414777916 309100520 /nfs/dbraw/zinc/10/05/20/309100520.db2.gz IPRLGKWZGCQIEI-MSOLQXFVSA-N 2 0 338.499 3.217 20 0 EGADRP Brc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414783599 309100746 /nfs/dbraw/zinc/10/07/46/309100746.db2.gz QDJCQQJWDXVZMY-NEPJUHHUSA-N 2 0 329.307 3.332 20 0 EGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414782704 309100752 /nfs/dbraw/zinc/10/07/52/309100752.db2.gz OREAKVMSTAWSCH-SJORKVTESA-N 2 0 344.890 3.347 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC12CCOCC2 ZINC000414783230 309100779 /nfs/dbraw/zinc/10/07/79/309100779.db2.gz PRPUSNFNQBZGGD-HNNXBMFYSA-N 2 0 345.874 3.076 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1C(F)(F)F ZINC000414782797 309100864 /nfs/dbraw/zinc/10/08/64/309100864.db2.gz OWGMHFMHWXKAPU-OAHLLOKOSA-N 2 0 342.405 3.201 20 0 EGADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414788927 309101292 /nfs/dbraw/zinc/10/12/92/309101292.db2.gz XNAVEFOMFSWTMU-ZIAGYGMSSA-N 2 0 328.378 3.249 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414799110 309102223 /nfs/dbraw/zinc/10/22/23/309102223.db2.gz JOLQIZFJALMFLK-HIFRSBDPSA-N 2 0 338.377 3.108 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414809484 309102801 /nfs/dbraw/zinc/10/28/01/309102801.db2.gz UGQUYIKSXWZADX-KXBFYZLASA-N 2 0 335.923 3.412 20 0 EGADRP Cc1ccc2oc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1 ZINC000299433816 308674549 /nfs/dbraw/zinc/67/45/49/308674549.db2.gz RFUBFJOOXULAAE-UHFFFAOYSA-N 2 0 345.487 3.087 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000414837681 309104885 /nfs/dbraw/zinc/10/48/85/309104885.db2.gz UWXNSXNQYOZFKG-INIZCTEOSA-N 2 0 331.485 3.120 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000309962021 308763174 /nfs/dbraw/zinc/76/31/74/308763174.db2.gz IYJCDPJVMAZLAL-OAHLLOKOSA-N 2 0 327.513 3.144 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000310059353 308763464 /nfs/dbraw/zinc/76/34/64/308763464.db2.gz XRUNFMZVLLDVJX-HZPDHXFCSA-N 2 0 339.524 3.001 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000411440332 308939073 /nfs/dbraw/zinc/93/90/73/308939073.db2.gz BLFIVBJEHHDPGP-CQSZACIVSA-N 2 0 337.533 3.005 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000411522877 308942714 /nfs/dbraw/zinc/94/27/14/308942714.db2.gz GEKZYOKEQISMDP-PMACEKPBSA-N 2 0 345.506 3.031 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412166172 308972621 /nfs/dbraw/zinc/97/26/21/308972621.db2.gz PFNGRUGXMFUPFU-PMACEKPBSA-N 2 0 343.515 3.275 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@H]([NH+]4CCCC4)C[C@H]3C)c2cc1OC ZINC000413286116 309025211 /nfs/dbraw/zinc/02/52/11/309025211.db2.gz YNQQFBAMJVPCAF-HUUCEWRRSA-N 2 0 341.455 3.315 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[NH2+]C1 ZINC000414851953 309105651 /nfs/dbraw/zinc/10/56/51/309105651.db2.gz JRKUYCTWKCYVGA-AEFFLSMTSA-N 2 0 325.456 3.138 20 0 EGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414858176 309105965 /nfs/dbraw/zinc/10/59/65/309105965.db2.gz RCIRBVCYWKDKTR-LBPRGKRZSA-N 2 0 338.377 3.185 20 0 EGADRP C[NH2+]CCC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000414857521 309105999 /nfs/dbraw/zinc/10/59/99/309105999.db2.gz DQXVUVYJNWYRKT-GFCCVEGCSA-N 2 0 344.299 3.258 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CNCC3([NH3+])CCCCCC3)sc2C1 ZINC000414861974 309106105 /nfs/dbraw/zinc/10/61/05/309106105.db2.gz UGSCKLXMABLAJX-UHFFFAOYSA-N 2 0 336.549 3.051 20 0 EGADRP C[NH2+]CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414861695 309106191 /nfs/dbraw/zinc/10/61/91/309106191.db2.gz SYZCTRXZCPTFGN-UHFFFAOYSA-N 2 0 338.430 3.378 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914233 309109031 /nfs/dbraw/zinc/10/90/31/309109031.db2.gz XRDJNRAFAFDTFE-UHFFFAOYSA-N 2 0 330.451 3.108 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415006354 309113921 /nfs/dbraw/zinc/11/39/21/309113921.db2.gz KLENWYLMUWVRAQ-GOEBONIOSA-N 2 0 338.879 3.225 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000415023978 309114951 /nfs/dbraw/zinc/11/49/51/309114951.db2.gz MIQDJFHYMSGWCX-WGSAOQKQSA-N 2 0 347.522 3.187 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)s2)cn1 ZINC000415032821 309115428 /nfs/dbraw/zinc/11/54/28/309115428.db2.gz AXEMTXOFJWUFBI-YOEHRIQHSA-N 2 0 330.501 3.113 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415050827 309116565 /nfs/dbraw/zinc/11/65/65/309116565.db2.gz YXYUXHVVTJHABG-DOTOQJQBSA-N 2 0 346.906 3.419 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415077803 309118770 /nfs/dbraw/zinc/11/87/70/309118770.db2.gz FMJNXADWMLGEKA-RDJZCZTQSA-N 2 0 330.451 3.412 20 0 EGADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415085192 309119137 /nfs/dbraw/zinc/11/91/37/309119137.db2.gz QMJVNINRPUGSDN-QYRPDUKASA-N 2 0 342.531 3.117 20 0 EGADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000415084170 309119241 /nfs/dbraw/zinc/11/92/41/309119241.db2.gz OHQFRSMUARUYRK-SLFFLAALSA-N 2 0 342.531 3.328 20 0 EGADRP COc1ccc([C@H](C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)N2CCCCC2)cc1 ZINC000415088916 309119495 /nfs/dbraw/zinc/11/94/95/309119495.db2.gz VWRDOYICVYDFMM-WFXMLNOXSA-N 2 0 345.531 3.200 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)C1 ZINC000415125589 309122275 /nfs/dbraw/zinc/12/22/75/309122275.db2.gz OMCNRVZBGKUAKN-GXTWGEPZSA-N 2 0 348.434 3.485 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415131068 309122677 /nfs/dbraw/zinc/12/26/77/309122677.db2.gz RUZRZAPRHUZPSO-UXHICEINSA-N 2 0 332.488 3.194 20 0 EGADRP CCCCn1ccnc1-c1cccc(NC(=O)NCC(C)(C)[NH3+])c1 ZINC000415293690 309130052 /nfs/dbraw/zinc/13/00/52/309130052.db2.gz MRVAXXCZCYKRAT-UHFFFAOYSA-N 2 0 329.448 3.209 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415888468 309146200 /nfs/dbraw/zinc/14/62/00/309146200.db2.gz ZMAJEEDFUGCSSE-UHFFFAOYSA-N 2 0 346.519 3.164 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000415911334 309147998 /nfs/dbraw/zinc/14/79/98/309147998.db2.gz XVKQSUYEFSQMHF-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000415973958 309152185 /nfs/dbraw/zinc/15/21/85/309152185.db2.gz PVUCWMJMYGZLPF-MRXNPFEDSA-N 2 0 332.492 3.182 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000415982768 309152827 /nfs/dbraw/zinc/15/28/27/309152827.db2.gz YGZYEKVBWIUCGR-LJQANCHMSA-N 2 0 338.455 3.104 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000416171321 309162078 /nfs/dbraw/zinc/16/20/78/309162078.db2.gz PLJDCNQQRFVGTO-FQEVSTJZSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416210992 309164097 /nfs/dbraw/zinc/16/40/97/309164097.db2.gz UIVCVHMMAQGMAO-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n(C)n1 ZINC000417884988 309226718 /nfs/dbraw/zinc/22/67/18/309226718.db2.gz XHBIWVACHHFUJO-IRXDYDNUSA-N 2 0 340.515 3.496 20 0 EGADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n(C)n1 ZINC000417911752 309228081 /nfs/dbraw/zinc/22/80/81/309228081.db2.gz MJIACGVRQFMDJZ-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP Cc1[nH+]c2cc(NCc3cn4cc(C)ccc4n3)ccc2n1[C@@H](C)CO ZINC000419763847 309271743 /nfs/dbraw/zinc/27/17/43/309271743.db2.gz OHMPPTXGKWFCLI-AWEZNQCLSA-N 2 0 349.438 3.466 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000420296051 309280010 /nfs/dbraw/zinc/28/00/10/309280010.db2.gz CXQWXBDDSNMZKS-KRWDZBQOSA-N 2 0 334.529 3.489 20 0 EGADRP Clc1ccc(CN2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420296087 309280040 /nfs/dbraw/zinc/28/00/40/309280040.db2.gz DALDVEXHGPCXOY-QGZVFWFLSA-N 2 0 335.923 3.237 20 0 EGADRP COc1ccc(CCC[N@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420299477 309280170 /nfs/dbraw/zinc/28/01/70/309280170.db2.gz GQDWPHBGFKXIRC-IBGZPJMESA-N 2 0 342.483 3.311 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420303463 309280497 /nfs/dbraw/zinc/28/04/97/309280497.db2.gz KJTPMAODQYFQGU-OAHLLOKOSA-N 2 0 330.451 3.080 20 0 EGADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420310506 309281012 /nfs/dbraw/zinc/28/10/12/309281012.db2.gz VCPVJVVURMVBLP-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP c1cc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313136 309281231 /nfs/dbraw/zinc/28/12/31/309281231.db2.gz PEBRZCBXNKKKHQ-AEFFLSMTSA-N 3 0 333.545 3.082 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]21 ZINC000420317625 309281582 /nfs/dbraw/zinc/28/15/82/309281582.db2.gz ZRARFGUKRJHVSR-HLAWJBBLSA-N 2 0 337.467 3.220 20 0 EGADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000420320819 309282007 /nfs/dbraw/zinc/28/20/07/309282007.db2.gz BYXDHWYMZCHGTN-NWDGAFQWSA-N 2 0 333.423 3.292 20 0 EGADRP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420329665 309282715 /nfs/dbraw/zinc/28/27/15/309282715.db2.gz GZTURBZEFRJIJE-OKILXGFUSA-N 2 0 328.378 3.016 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336052 309282942 /nfs/dbraw/zinc/28/29/42/309282942.db2.gz IKGKSNXHUWDVJO-ARFHVFGLSA-N 2 0 349.906 3.297 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344642 309283415 /nfs/dbraw/zinc/28/34/15/309283415.db2.gz UIKBONRPGJRESY-YOEHRIQHSA-N 2 0 349.906 3.439 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344640 309283541 /nfs/dbraw/zinc/28/35/41/309283541.db2.gz UIKBONRPGJRESY-RHSMWYFYSA-N 2 0 349.906 3.439 20 0 EGADRP C[NH2+]CCCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000420365499 309284320 /nfs/dbraw/zinc/28/43/20/309284320.db2.gz SFQTYLOYDOXRTD-UHFFFAOYSA-N 2 0 343.437 3.211 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3Cl)CC2)C1 ZINC000420396726 309286243 /nfs/dbraw/zinc/28/62/43/309286243.db2.gz WFDIGEURWCQXNN-RDJZCZTQSA-N 2 0 326.843 3.197 20 0 EGADRP CC(C)([NH3+])c1noc(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000420397422 309286280 /nfs/dbraw/zinc/28/62/80/309286280.db2.gz GFYJNEKUAYHBQB-HZPDHXFCSA-N 2 0 328.460 3.155 20 0 EGADRP CC(C)([NH3+])c1noc(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000420397423 309286390 /nfs/dbraw/zinc/28/63/90/309286390.db2.gz GFYJNEKUAYHBQB-JKSUJKDBSA-N 2 0 328.460 3.155 20 0 EGADRP Brc1cccc2c1OCC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000420402635 309286520 /nfs/dbraw/zinc/28/65/20/309286520.db2.gz KCZPUGMOLALAOP-OAHLLOKOSA-N 2 0 339.277 3.252 20 0 EGADRP Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420933423 309302172 /nfs/dbraw/zinc/30/21/72/309302172.db2.gz IVWBZHHLQVIKJL-OAQYLSRUSA-N 2 0 339.483 3.194 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C)c(C)c3)CC2)CC1 ZINC000420980436 309305790 /nfs/dbraw/zinc/30/57/90/309305790.db2.gz LORVGQDJJYAJOC-UHFFFAOYSA-N 2 0 329.532 3.295 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCc3ccccc3Cl)CC2)CC1 ZINC000420985731 309306108 /nfs/dbraw/zinc/30/61/08/309306108.db2.gz WOWXPNJIOALJHU-UHFFFAOYSA-N 2 0 349.950 3.375 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(SC)cc1OC ZINC000422560000 309361646 /nfs/dbraw/zinc/36/16/46/309361646.db2.gz FPZNAHLMMNKINE-NFAWXSAZSA-N 2 0 338.517 3.231 20 0 EGADRP Fc1cccc(F)c1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422691909 309363331 /nfs/dbraw/zinc/36/33/31/309363331.db2.gz JDTVXXNNSIBRIF-UYAOXDASSA-N 2 0 344.405 3.353 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422687275 309363364 /nfs/dbraw/zinc/36/33/64/309363364.db2.gz BIBKYNSRTMEAKT-YJBOKZPZSA-N 2 0 327.428 3.100 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422708881 309364110 /nfs/dbraw/zinc/36/41/10/309364110.db2.gz CHTJLPUCOSBJQC-NJDAHSKKSA-N 3 0 345.531 3.027 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422711779 309364401 /nfs/dbraw/zinc/36/44/01/309364401.db2.gz GGADVPPZNWUBEV-UZLBHIALSA-N 2 0 325.456 3.138 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCOCCc1ccccc1 ZINC000422716279 309364643 /nfs/dbraw/zinc/36/46/43/309364643.db2.gz UDBCYPOAVMCERB-MRXNPFEDSA-N 2 0 327.472 3.149 20 0 EGADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422726590 309365335 /nfs/dbraw/zinc/36/53/35/309365335.db2.gz FLRWSUOUUIYQJZ-RRQGHBQHSA-N 2 0 341.421 3.010 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000422730862 309365601 /nfs/dbraw/zinc/36/56/01/309365601.db2.gz KPNTWKWTUAQVGA-BWAGFHJFSA-N 2 0 337.511 3.372 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000422731065 309365773 /nfs/dbraw/zinc/36/57/73/309365773.db2.gz KPNTWKWTUAQVGA-YUXAGFNASA-N 2 0 337.511 3.372 20 0 EGADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000422735163 309365818 /nfs/dbraw/zinc/36/58/18/309365818.db2.gz DLOPFIGESVZFOL-SLFFLAALSA-N 2 0 341.499 3.340 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422740505 309366135 /nfs/dbraw/zinc/36/61/35/309366135.db2.gz MWIWSECJONVTIS-UDKICSLYSA-N 2 0 337.511 3.370 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000422746683 309366285 /nfs/dbraw/zinc/36/62/85/309366285.db2.gz OECBEGUMHUILAX-BNEJOLLZSA-N 2 0 337.458 3.078 20 0 EGADRP CC[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Cc1cccc(Br)c1 ZINC000422753432 309366657 /nfs/dbraw/zinc/36/66/57/309366657.db2.gz IGWUHNNZFLVVJL-STQMWFEESA-N 2 0 325.294 3.215 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@H](C)CCCC[NH3+])N2CCCCC2)cc1 ZINC000422753733 309366677 /nfs/dbraw/zinc/36/66/77/309366677.db2.gz GIVBWZCMMRDWAM-XLIONFOSSA-N 2 0 333.520 3.329 20 0 EGADRP COc1ccc(C[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000422767327 309367283 /nfs/dbraw/zinc/36/72/83/309367283.db2.gz MUPRBHMBNHELOE-YCRPNKLZSA-N 2 0 340.467 3.185 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000422781670 309367914 /nfs/dbraw/zinc/36/79/14/309367914.db2.gz MEIQCSCDTDPAHI-LEWJYISDSA-N 3 0 345.531 3.157 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@H+](C)Cc1ccccc1 ZINC000422783390 309368020 /nfs/dbraw/zinc/36/80/20/309368020.db2.gz KXXBEJOQYGCGPX-WIYYLYMNSA-N 2 0 325.500 3.057 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cnn1-c1ccc(F)cc1 ZINC000422789542 309368298 /nfs/dbraw/zinc/36/82/98/309368298.db2.gz UBTKHRMDYPGAMQ-BZOOQXSSSA-N 2 0 330.451 3.488 20 0 EGADRP Clc1cnc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422793328 309368731 /nfs/dbraw/zinc/36/87/31/309368731.db2.gz XZBVUPNSAQQGMZ-NWANDNLSSA-N 2 0 343.302 3.311 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422796671 309368845 /nfs/dbraw/zinc/36/88/45/309368845.db2.gz KESXNWLIUVHMNL-NJDAHSKKSA-N 2 0 338.499 3.332 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422797796 309368919 /nfs/dbraw/zinc/36/89/19/309368919.db2.gz OMVAZYPCQSTPOK-XUVXKRRUSA-N 2 0 330.516 3.491 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422811987 309369664 /nfs/dbraw/zinc/36/96/64/309369664.db2.gz VPUBMDQSCRGOHP-KKSFZXQISA-N 2 0 348.494 3.349 20 0 EGADRP [NH3+]CC1CCC([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000422815506 309369898 /nfs/dbraw/zinc/36/98/98/309369898.db2.gz XSCCOTZFYYBNPL-UHFFFAOYSA-N 2 0 330.394 3.373 20 0 EGADRP c1ccc(COCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422834627 309370841 /nfs/dbraw/zinc/37/08/41/309370841.db2.gz ZXFLOEFOBZKNIU-FPOVZHCZSA-N 2 0 338.451 3.049 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422838770 309371222 /nfs/dbraw/zinc/37/12/22/309371222.db2.gz XZMKFZWJSCZMBS-YUXAGFNASA-N 2 0 337.511 3.199 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Oc1ccccc1Br ZINC000422839785 309371294 /nfs/dbraw/zinc/37/12/94/309371294.db2.gz RHNCUCLREDEFAT-BPLDGKMQSA-N 2 0 341.293 3.466 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422841880 309371303 /nfs/dbraw/zinc/37/13/03/309371303.db2.gz XARKDQAGEKJLNL-NQIIRXRSSA-N 3 0 331.548 3.293 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000422839172 309371317 /nfs/dbraw/zinc/37/13/17/309371317.db2.gz PSQBOPNXTWKSKR-INIZCTEOSA-N 3 0 332.536 3.257 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422850778 309371948 /nfs/dbraw/zinc/37/19/48/309371948.db2.gz DRIXJUUJLUSOMO-ICSRJNTNSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422859879 309372349 /nfs/dbraw/zinc/37/23/49/309372349.db2.gz LEHUHBANHUJBIY-HKUYNNGSSA-N 2 0 326.488 3.315 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(OCC(F)(F)F)c1 ZINC000422867459 309372959 /nfs/dbraw/zinc/37/29/59/309372959.db2.gz SHUZPEFCSVNAGQ-UKRRQHHQSA-N 2 0 330.394 3.414 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCC1 ZINC000422881613 309373902 /nfs/dbraw/zinc/37/39/02/309373902.db2.gz QSYGEDWOQOHTLX-BMGDILEWSA-N 2 0 336.907 3.494 20 0 EGADRP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422888863 309374525 /nfs/dbraw/zinc/37/45/25/309374525.db2.gz OEUNPLGBUHMRGI-ZGXWSNOMSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422892838 309374627 /nfs/dbraw/zinc/37/46/27/309374627.db2.gz NXUKYVRQWHCUPE-JOCLIGHLSA-N 2 0 343.515 3.225 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CN[C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422893032 309374639 /nfs/dbraw/zinc/37/46/39/309374639.db2.gz OGOQAJDDOGXZRR-FXAWDEMLSA-N 2 0 333.520 3.027 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422912100 309375746 /nfs/dbraw/zinc/37/57/46/309375746.db2.gz VJQQWSSCQAPZKS-VNQPRFMTSA-N 2 0 337.895 3.034 20 0 EGADRP CN(C)c1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422915851 309375956 /nfs/dbraw/zinc/37/59/56/309375956.db2.gz ZGIIMOIBOBESSJ-WIYYLYMNSA-N 2 0 337.467 3.098 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000422925380 309376448 /nfs/dbraw/zinc/37/64/48/309376448.db2.gz BOUNMMNMGRBTDV-IRXDYDNUSA-N 2 0 344.842 3.388 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935084 309376909 /nfs/dbraw/zinc/37/69/09/309376909.db2.gz KMWZACBSNRSVTF-XHDPSFHLSA-N 2 0 329.257 3.108 20 0 EGADRP CC(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000422947236 309377528 /nfs/dbraw/zinc/37/75/28/309377528.db2.gz XVEYKUHYUCMPKQ-FBPXKMNZSA-N 2 0 329.532 3.176 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422946899 309377537 /nfs/dbraw/zinc/37/75/37/309377537.db2.gz PREQXFMFDFIPRP-DTWKUNHWSA-N 2 0 337.208 3.266 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc2c(c1)OCCO2 ZINC000422950703 309377745 /nfs/dbraw/zinc/37/77/45/309377745.db2.gz WNYCFAXARWAXNB-KSSFIOAISA-N 2 0 341.455 3.422 20 0 EGADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422956873 309378038 /nfs/dbraw/zinc/37/80/38/309378038.db2.gz REACVWDTLHKVJR-BZUAXINKSA-N 2 0 333.545 3.465 20 0 EGADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422963681 309378417 /nfs/dbraw/zinc/37/84/17/309378417.db2.gz GJIFMIPJWUCISN-YSTOQKLRSA-N 2 0 330.516 3.299 20 0 EGADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCCC2)c1 ZINC000422967422 309378649 /nfs/dbraw/zinc/37/86/49/309378649.db2.gz TUJBJZNBANXCES-MKXGPGLRSA-N 2 0 331.504 3.317 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000422980400 309379252 /nfs/dbraw/zinc/37/92/52/309379252.db2.gz PJJFLEZJWMPCEV-BZZMCLGOSA-N 2 0 340.458 3.124 20 0 EGADRP CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422978056 309379295 /nfs/dbraw/zinc/37/92/95/309379295.db2.gz GQHAASGEWUYTKH-SLFFLAALSA-N 2 0 346.515 3.110 20 0 EGADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422987941 309379685 /nfs/dbraw/zinc/37/96/85/309379685.db2.gz JMBMDFPUWBJRET-NQIIRXRSSA-N 2 0 343.515 3.095 20 0 EGADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422987943 309379693 /nfs/dbraw/zinc/37/96/93/309379693.db2.gz JMBMDFPUWBJRET-WIYYLYMNSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000422997906 309380253 /nfs/dbraw/zinc/38/02/53/309380253.db2.gz PDSGYPSKKGSMQM-HLIPFELVSA-N 2 0 334.504 3.419 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005370 309380605 /nfs/dbraw/zinc/38/06/05/309380605.db2.gz RRAYXGRESFYLBF-CZUORRHYSA-N 2 0 330.394 3.243 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423010463 309380727 /nfs/dbraw/zinc/38/07/27/309380727.db2.gz GIJPUPCQVXVRPH-ZDUSSCGKSA-N 2 0 326.444 3.026 20 0 EGADRP CCN1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012903 309380925 /nfs/dbraw/zinc/38/09/25/309380925.db2.gz DZVIYCMCGHFUMR-AFAVFJNCSA-N 2 0 327.875 3.331 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423013431 309381042 /nfs/dbraw/zinc/38/10/42/309381042.db2.gz MSHPYYWTJDRDQZ-IPMKNSEASA-N 2 0 332.488 3.147 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c2ccccc21 ZINC000423015283 309381277 /nfs/dbraw/zinc/38/12/77/309381277.db2.gz QQTFLDYHNMLWTK-WDYCEAGBSA-N 2 0 329.488 3.385 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(-c2ccccc2)n1 ZINC000423036970 309382208 /nfs/dbraw/zinc/38/22/08/309382208.db2.gz VFABABATAGZGEF-XUVXKRRUSA-N 2 0 338.499 3.488 20 0 EGADRP CC(C)N1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423036621 309382274 /nfs/dbraw/zinc/38/22/74/309382274.db2.gz ATPHNNBXNDRTAR-BVGQSLNGSA-N 2 0 325.447 3.206 20 0 EGADRP CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(OC)c(OC)c1 ZINC000423052308 309383148 /nfs/dbraw/zinc/38/31/48/309383148.db2.gz QFRLMECTZUOHHD-WBVHZDCISA-N 2 0 334.504 3.479 20 0 EGADRP C[C@H]([NH2+][C@H](Cc1cccc(Br)c1)CC1CC1)C1C[NH2+]C1 ZINC000423053208 309383265 /nfs/dbraw/zinc/38/32/65/309383265.db2.gz RNPPRCZTRYFZJZ-SJCJKPOMSA-N 2 0 337.305 3.358 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423055938 309383419 /nfs/dbraw/zinc/38/34/19/309383419.db2.gz XFBGFIOMCLXCQH-VHFSOBRXSA-N 2 0 325.456 3.420 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423070683 309384274 /nfs/dbraw/zinc/38/42/74/309384274.db2.gz NKCVIEXCJROCAT-BPLDGKMQSA-N 2 0 328.287 3.432 20 0 EGADRP CCOC1CC(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423073747 309384442 /nfs/dbraw/zinc/38/44/42/309384442.db2.gz SEYUFVIHJKRHPI-AURQOUSISA-N 2 0 330.472 3.037 20 0 EGADRP CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423079569 309384878 /nfs/dbraw/zinc/38/48/78/309384878.db2.gz QYKVZXHLAJXCED-HRCADAONSA-N 2 0 335.458 3.161 20 0 EGADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423081951 309384954 /nfs/dbraw/zinc/38/49/54/309384954.db2.gz VZIJVWSOTGCGDQ-UWHLTILDSA-N 2 0 330.516 3.128 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCC2)cc1C ZINC000423087031 309385122 /nfs/dbraw/zinc/38/51/22/309385122.db2.gz NAHKVNXYNUWFPH-PWRODBHTSA-N 2 0 342.527 3.472 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423098273 309386018 /nfs/dbraw/zinc/38/60/18/309386018.db2.gz RXVZQCQIUXXRRC-HOTGVXAUSA-N 2 0 330.394 3.420 20 0 EGADRP CCc1nc2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)ccc2n1C1CC1 ZINC000423107835 309386257 /nfs/dbraw/zinc/38/62/57/309386257.db2.gz FJLWQFFMLLEOID-WMLDXEAASA-N 2 0 326.488 3.411 20 0 EGADRP COc1cccc(OC(F)(F)F)c1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423112306 309386628 /nfs/dbraw/zinc/38/66/28/309386628.db2.gz RZKQSZSIFMEBSH-UHFFFAOYSA-N 2 0 332.366 3.201 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423118063 309386825 /nfs/dbraw/zinc/38/68/25/309386825.db2.gz YQKYOYRKRHZNHY-LYBXBRPPSA-N 2 0 329.532 3.394 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000423122135 309387081 /nfs/dbraw/zinc/38/70/81/309387081.db2.gz JDMXUJVUWYABTP-ACJLOTCBSA-N 2 0 333.863 3.276 20 0 EGADRP COc1cccc(C2(C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)CC2)c1 ZINC000423130472 309387471 /nfs/dbraw/zinc/38/74/71/309387471.db2.gz YMSMCWQNTUVMLE-CQSZACIVSA-N 2 0 325.456 3.240 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000423131954 309387706 /nfs/dbraw/zinc/38/77/06/309387706.db2.gz UDYHXHLBVKFREE-DBVUQKKJSA-N 2 0 333.520 3.054 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423144416 309388079 /nfs/dbraw/zinc/38/80/79/309388079.db2.gz YWLKJHKBDULQLA-HOCLYGCPSA-N 2 0 342.462 3.165 20 0 EGADRP c1cncc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CCO2)c1 ZINC000423154347 309388568 /nfs/dbraw/zinc/38/85/68/309388568.db2.gz OSPNVCAELCMRDC-IVDHNXQLSA-N 2 0 329.488 3.202 20 0 EGADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423162909 309388835 /nfs/dbraw/zinc/38/88/35/309388835.db2.gz UUNJVQMQHRCZTN-XKQJLSEDSA-N 2 0 326.843 3.368 20 0 EGADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423164430 309388918 /nfs/dbraw/zinc/38/89/18/309388918.db2.gz OPLZENMRQZMGLM-BWPNAZKDSA-N 2 0 330.472 3.180 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000423174283 309389179 /nfs/dbraw/zinc/38/91/79/309389179.db2.gz AAXGXXRFCQZPJL-OAQYLSRUSA-N 2 0 341.499 3.184 20 0 EGADRP Brc1cccc2c1OCCC[C@H]2NC1CC[NH2+]CC1 ZINC000423182952 309389607 /nfs/dbraw/zinc/38/96/07/309389607.db2.gz KQPLYGOBHGCHFW-CQSZACIVSA-N 2 0 325.250 3.004 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423205687 309390339 /nfs/dbraw/zinc/39/03/39/309390339.db2.gz FNEXZJIVFHVPOG-IUODEOHRSA-N 2 0 339.277 3.252 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423256410 309392535 /nfs/dbraw/zinc/39/25/35/309392535.db2.gz BWURDCZJGAEOMF-KMFTYDHNSA-N 3 0 329.532 3.409 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423259593 309392716 /nfs/dbraw/zinc/39/27/16/309392716.db2.gz OLJRQSNOXPMJHZ-LSDHHAIUSA-N 2 0 330.476 3.011 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423269350 309393444 /nfs/dbraw/zinc/39/34/44/309393444.db2.gz FNCOTJAGROITTF-YEWWUXTCSA-N 2 0 330.476 3.139 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423278220 309393746 /nfs/dbraw/zinc/39/37/46/309393746.db2.gz QVUHGJIOQDNVGM-RISCZKNCSA-N 2 0 327.266 3.108 20 0 EGADRP CC(C)([NH3+])C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423287436 309394103 /nfs/dbraw/zinc/39/41/03/309394103.db2.gz MHNSVXXBFHSGES-OAHLLOKOSA-N 2 0 341.293 3.244 20 0 EGADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1C[NH2+]C1 ZINC000423304518 309394709 /nfs/dbraw/zinc/39/47/09/309394709.db2.gz OHIDABFSPBUHTB-XPTSAGLGSA-N 2 0 327.291 3.041 20 0 EGADRP [NH3+][C@H](CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423330163 309395615 /nfs/dbraw/zinc/39/56/15/309395615.db2.gz TYWYXRARCLBHQJ-UWHLTILDSA-N 2 0 327.516 3.004 20 0 EGADRP CC(C)[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000423341934 309396142 /nfs/dbraw/zinc/39/61/42/309396142.db2.gz YGCYMXBMMDBXKB-LPHOPBHVSA-N 2 0 331.504 3.193 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(N)ccc32)[C@H](C)C1 ZINC000423353331 309396658 /nfs/dbraw/zinc/39/66/58/309396658.db2.gz LSUNSBRZZDHBLA-CZAAIQMYSA-N 2 0 345.531 3.373 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000423359925 309396945 /nfs/dbraw/zinc/39/69/45/309396945.db2.gz LEEPSPHGEYAXRG-BZUAXINKSA-N 2 0 331.504 3.193 20 0 EGADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423364282 309397084 /nfs/dbraw/zinc/39/70/84/309397084.db2.gz BBLCSXSTYZJPLM-NUJGCVRESA-N 2 0 331.504 3.092 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423393745 309398478 /nfs/dbraw/zinc/39/84/78/309398478.db2.gz QZIIERVSJVYIKH-LESCRADOSA-N 2 0 332.492 3.481 20 0 EGADRP COCC1(C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC[NH2+]CC1 ZINC000423396257 309398570 /nfs/dbraw/zinc/39/85/70/309398570.db2.gz BAZWEZOGTNZIIQ-ROUUACIJSA-N 2 0 331.504 3.022 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000423419324 309399722 /nfs/dbraw/zinc/39/97/22/309399722.db2.gz INPNCDVLXUEERY-SHTZXODSSA-N 2 0 337.458 3.288 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CCC2 ZINC000423436172 309400398 /nfs/dbraw/zinc/40/03/98/309400398.db2.gz ZOSGMRHGODWEMP-JYJNAYRXSA-N 2 0 348.487 3.497 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000423436912 309400425 /nfs/dbraw/zinc/40/04/25/309400425.db2.gz MAINYSXVYNZTPD-HNNXBMFYSA-N 2 0 329.488 3.233 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000423533531 309405288 /nfs/dbraw/zinc/40/52/88/309405288.db2.gz XSSXTGHRPXDOBC-LLVKDONJSA-N 2 0 327.266 3.250 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423844238 309416184 /nfs/dbraw/zinc/41/61/84/309416184.db2.gz LSWVGORGHAKHPE-LJQANCHMSA-N 2 0 343.515 3.432 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424378225 309441097 /nfs/dbraw/zinc/44/10/97/309441097.db2.gz NLRHNXAYUKVEJD-ICSRJNTNSA-N 2 0 345.531 3.026 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000424432125 309443534 /nfs/dbraw/zinc/44/35/34/309443534.db2.gz BKDJWVRWYGMAHJ-IAGOWNOFSA-N 2 0 346.519 3.333 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](OC)C2CC2)CC1 ZINC000425465109 309481712 /nfs/dbraw/zinc/48/17/12/309481712.db2.gz ZDGVTRBPEAANOA-YWZLYKJASA-N 2 0 349.494 3.043 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1CCCCCC1 ZINC000426264637 309503051 /nfs/dbraw/zinc/50/30/51/309503051.db2.gz DGNDZEGWMROHPU-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000427526981 309530491 /nfs/dbraw/zinc/53/04/91/309530491.db2.gz ZDFUPYQHRKMLNG-HXUWFJFHSA-N 2 0 341.499 3.379 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430917118 309620758 /nfs/dbraw/zinc/62/07/58/309620758.db2.gz CGBPVKSODYJJJE-HXUWFJFHSA-N 2 0 337.467 3.298 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000430946125 309621749 /nfs/dbraw/zinc/62/17/49/309621749.db2.gz ZKETXNTVDXPXFF-CQSZACIVSA-N 2 0 342.462 3.059 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430946686 309621781 /nfs/dbraw/zinc/62/17/81/309621781.db2.gz BMTPFQWMLZQQQJ-GJZGRUSLSA-N 2 0 331.504 3.198 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000431055546 309624534 /nfs/dbraw/zinc/62/45/34/309624534.db2.gz YGJPTBYQACJOLS-OXJNMPFZSA-N 2 0 343.515 3.093 20 0 EGADRP Cc1ccc(C)c([C@@H](C)N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433138315 309679833 /nfs/dbraw/zinc/67/98/33/309679833.db2.gz XNJAJMJHAIKQRH-QGZVFWFLSA-N 2 0 331.504 3.026 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000435382745 309730922 /nfs/dbraw/zinc/73/09/22/309730922.db2.gz FGVDZQPTYCZSNA-UHFFFAOYSA-N 2 0 325.456 3.189 20 0 EGADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443604991 309904475 /nfs/dbraw/zinc/90/44/75/309904475.db2.gz UHDPJMXTVNJJPP-KDURUIRLSA-N 2 0 349.563 3.364 20 0 EGADRP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC000446826146 309968696 /nfs/dbraw/zinc/96/86/96/309968696.db2.gz MHULYDDLSIRMGU-OAQYLSRUSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000446886449 309970302 /nfs/dbraw/zinc/97/03/02/309970302.db2.gz GQAFWAHKINAVLU-DYESRHJHSA-N 3 0 333.564 3.494 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000447591974 309983727 /nfs/dbraw/zinc/98/37/27/309983727.db2.gz GGPAXLRGCBIVCI-FQEVSTJZSA-N 2 0 330.447 3.277 20 0 EGADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000449085737 310035909 /nfs/dbraw/zinc/03/59/09/310035909.db2.gz AKVRINQMAPGMNM-MRXNPFEDSA-N 2 0 344.478 3.438 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccccc2cc1OC ZINC000449221628 310045537 /nfs/dbraw/zinc/04/55/37/310045537.db2.gz KSNPFPWLFXITGO-LJQANCHMSA-N 2 0 330.472 3.295 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449223025 310045827 /nfs/dbraw/zinc/04/58/27/310045827.db2.gz NLOCTXFNDSPMRJ-NKELODKYSA-N 2 0 326.525 3.203 20 0 EGADRP Cc1cc(C)c(CNCc2nc3c(s2)C[N@H+](C(C)C)CC3)cn1 ZINC000449735954 310083219 /nfs/dbraw/zinc/08/32/19/310083219.db2.gz TUBQFGXZCPYXTC-UHFFFAOYSA-N 2 0 330.501 3.211 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449905607 310093375 /nfs/dbraw/zinc/09/33/75/310093375.db2.gz FYVQZOSKSDSNPR-UYAOXDASSA-N 2 0 347.547 3.260 20 0 EGADRP CCc1nccn1[C@@H]1CCCN(Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450379431 310119231 /nfs/dbraw/zinc/11/92/31/310119231.db2.gz NZLIJCMXTFJXEV-CQSZACIVSA-N 2 0 341.381 3.041 20 0 EGADRP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450723341 310139397 /nfs/dbraw/zinc/13/93/97/310139397.db2.gz COIQIJSFHXZVCD-ICSRJNTNSA-N 2 0 329.532 3.361 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453070931 310255933 /nfs/dbraw/zinc/25/59/33/310255933.db2.gz PYKUEEGRMGKFCO-TUFLPTIASA-N 2 0 328.500 3.446 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(OC)c2ccccc2)[C@@H](C)C1 ZINC000453313989 310270649 /nfs/dbraw/zinc/27/06/49/310270649.db2.gz FEKCDICHQBSECW-JBACZVJFSA-N 2 0 348.531 3.275 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000453370883 310273461 /nfs/dbraw/zinc/27/34/61/310273461.db2.gz REYLGRHUAUGMGK-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP Cc1cc(C)c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(C)n1 ZINC000455528609 310365240 /nfs/dbraw/zinc/36/52/40/310365240.db2.gz QTHHBQAYQIMOOS-ZDUSSCGKSA-N 2 0 330.476 3.345 20 0 EGADRP CC1CC[NH+](CCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455946180 310383149 /nfs/dbraw/zinc/38/31/49/310383149.db2.gz WWVLEAOKYRVHHK-LJQANCHMSA-N 2 0 344.503 3.089 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000459445559 310553479 /nfs/dbraw/zinc/55/34/79/310553479.db2.gz DJUWMDRFLGRAMB-MYYSRTQBSA-N 2 0 343.496 3.139 20 0 EGADRP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000462124914 310595904 /nfs/dbraw/zinc/59/59/04/310595904.db2.gz XTDMJCUZHJBYGN-GOSISDBHSA-N 2 0 338.923 3.344 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000469187221 310701176 /nfs/dbraw/zinc/70/11/76/310701176.db2.gz HNSRZGPRNDECJQ-QGZVFWFLSA-N 2 0 348.535 3.099 20 0 EGADRP CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000483858883 310959124 /nfs/dbraw/zinc/95/91/24/310959124.db2.gz LBEDNWZGGHGCGO-QKYXUNIQSA-N 2 0 334.504 3.481 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CS1 ZINC000488413332 311064578 /nfs/dbraw/zinc/06/45/78/311064578.db2.gz CLSQHRWYBQHKRR-FJIDUMEYSA-N 2 0 340.577 3.264 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000489936827 311126126 /nfs/dbraw/zinc/12/61/26/311126126.db2.gz SHTOCPXCAFKTAL-BURNTYAHSA-N 2 0 328.500 3.446 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000489936830 311126157 /nfs/dbraw/zinc/12/61/57/311126157.db2.gz SHTOCPXCAFKTAL-XSDIEEQYSA-N 2 0 328.500 3.446 20 0 EGADRP Cc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000490047205 311131483 /nfs/dbraw/zinc/13/14/83/311131483.db2.gz JSDDTZZRJGDEBT-CQSZACIVSA-N 2 0 333.863 3.008 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000490963944 311159061 /nfs/dbraw/zinc/15/90/61/311159061.db2.gz ISOKOXOESJTDLV-WIYYLYMNSA-N 2 0 329.532 3.097 20 0 EGADRP CCCc1csc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000494007406 311451318 /nfs/dbraw/zinc/45/13/18/311451318.db2.gz RANLPVWHFUSYGK-GJZGRUSLSA-N 2 0 325.522 3.075 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000495542409 311576297 /nfs/dbraw/zinc/57/62/97/311576297.db2.gz RFCVTSVUWUYCCZ-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000496774585 311762607 /nfs/dbraw/zinc/76/26/07/311762607.db2.gz FDZVKOVIMOFGGZ-UHFFFAOYSA-N 2 0 341.540 3.484 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000496870256 311777712 /nfs/dbraw/zinc/77/77/12/311777712.db2.gz HLKMQRDVFQMPFA-KZNAEPCWSA-N 2 0 345.487 3.147 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000503524948 311989245 /nfs/dbraw/zinc/98/92/45/311989245.db2.gz WRAXWCJMXRFOOT-UHFFFAOYSA-N 2 0 331.504 3.241 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1(C)C ZINC000507541181 312076694 /nfs/dbraw/zinc/07/66/94/312076694.db2.gz YIHLZSAJNQRMMU-UJMXGEILSA-N 2 0 328.500 3.300 20 0 EGADRP CC(C)[C@@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)CCS1 ZINC000509685603 312123307 /nfs/dbraw/zinc/12/33/07/312123307.db2.gz CUAKSURSOGXJFP-FQEVSTJZSA-N 2 0 347.572 3.272 20 0 EGADRP CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000515188011 312270097 /nfs/dbraw/zinc/27/00/97/312270097.db2.gz JQBRHBNZYUDWEZ-UONOGXRCSA-N 2 0 343.393 3.335 20 0 EGADRP C[C@@](O)(C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(F)(F)F ZINC000515234336 312273077 /nfs/dbraw/zinc/27/30/77/312273077.db2.gz HBCNWLHRAYHGFT-QGZVFWFLSA-N 2 0 344.421 3.466 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)CN1CCOCC1 ZINC000515344201 312277703 /nfs/dbraw/zinc/27/77/03/312277703.db2.gz BELHOFZYHBVSSA-LSDHHAIUSA-N 2 0 344.421 3.367 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC000516192767 312314059 /nfs/dbraw/zinc/31/40/59/312314059.db2.gz BHNRGMNXOPNATG-UHFFFAOYSA-N 2 0 337.467 3.441 20 0 EGADRP c1ccc(OCC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000517639712 312386894 /nfs/dbraw/zinc/38/68/94/312386894.db2.gz LHWLHCLRHSSDAW-UHFFFAOYSA-N 2 0 333.435 3.436 20 0 EGADRP CCC(F)(F)C(C)(C)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000527650649 312899267 /nfs/dbraw/zinc/89/92/67/312899267.db2.gz RHXVXXVNFPVWMS-UHFFFAOYSA-N 2 0 331.495 3.206 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC(=O)Nc2ccccn2)CC1 ZINC000538615741 314259018 /nfs/dbraw/zinc/25/90/18/314259018.db2.gz UTZRDBVXEZHQOF-SJLPKXTDSA-N 2 0 344.503 3.043 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@H](C)C1 ZINC000539088514 314296210 /nfs/dbraw/zinc/29/62/10/314296210.db2.gz VLNSSKMEQLOSRA-BVOGOJNSSA-N 2 0 330.516 3.344 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000539091450 314296275 /nfs/dbraw/zinc/29/62/75/314296275.db2.gz NBNDFRBOPUBSAX-PZJWPPBQSA-N 2 0 348.531 3.409 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000548335993 314995783 /nfs/dbraw/zinc/99/57/83/314995783.db2.gz BJPNVRHLLGZELA-WIYYLYMNSA-N 2 0 348.450 3.443 20 0 EGADRP C[C@@H]1C[C@@H](CCNC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000548875930 315057580 /nfs/dbraw/zinc/05/75/80/315057580.db2.gz ZNRRSCKRSSUEKE-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[C@@H]1C[NH+](CCCC[N@@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000550187658 315119843 /nfs/dbraw/zinc/11/98/43/315119843.db2.gz GXEIKFSJOGYNKA-PMACEKPBSA-N 2 0 340.552 3.260 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000552040163 315191916 /nfs/dbraw/zinc/19/19/16/315191916.db2.gz FYSSLJULGBYFGW-OAHLLOKOSA-N 2 0 334.504 3.407 20 0 EGADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552551840 315224746 /nfs/dbraw/zinc/22/47/46/315224746.db2.gz ZFURATYNYICGPW-QUCCMNQESA-N 2 0 343.515 3.181 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554083515 315297333 /nfs/dbraw/zinc/29/73/33/315297333.db2.gz UQNHIDISNGIHMO-SFTDATJTSA-N 2 0 328.500 3.482 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555525196 315387795 /nfs/dbraw/zinc/38/77/95/315387795.db2.gz YMKQYEQMQRMKGX-UKRRQHHQSA-N 2 0 337.305 3.238 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555548577 315389199 /nfs/dbraw/zinc/38/91/99/315389199.db2.gz AKXCBDDOGYOGSB-ZFWWWQNUSA-N 2 0 337.305 3.238 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612252 315394275 /nfs/dbraw/zinc/39/42/75/315394275.db2.gz WFCKTFCDESQZRU-CTNGQTDRSA-N 2 0 329.532 3.363 20 0 EGADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000556877978 315478767 /nfs/dbraw/zinc/47/87/67/315478767.db2.gz YIKHUCPICZSMSH-QUCCMNQESA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@]1(C)CCCO1 ZINC000559787334 315645473 /nfs/dbraw/zinc/64/54/73/315645473.db2.gz NJDCNIRMAZADSJ-NQIIRXRSSA-N 2 0 346.515 3.251 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000564069598 316108825 /nfs/dbraw/zinc/10/88/25/316108825.db2.gz RUCAEASYQKTYRO-IBGZPJMESA-N 2 0 346.515 3.468 20 0 EGADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1cccc2ccccc21 ZINC000564453333 316154973 /nfs/dbraw/zinc/15/49/73/316154973.db2.gz LGMBAMIYRLDHNU-GOSISDBHSA-N 2 0 337.467 3.100 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000564779327 316203843 /nfs/dbraw/zinc/20/38/43/316203843.db2.gz OJBHJXADYVOXJO-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000564922491 316233329 /nfs/dbraw/zinc/23/33/29/316233329.db2.gz RBIHKTKAYJSRPF-MJGOQNOKSA-N 2 0 345.531 3.483 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC12CCOCC2 ZINC000565833370 316376674 /nfs/dbraw/zinc/37/66/74/316376674.db2.gz AIMJEUAZZPBWBV-MRXNPFEDSA-N 2 0 349.544 3.378 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565945390 316392255 /nfs/dbraw/zinc/39/22/55/316392255.db2.gz CFEKIJCRJCOBIN-ZWKOTPCHSA-N 2 0 339.487 3.006 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000567982833 316705139 /nfs/dbraw/zinc/70/51/39/316705139.db2.gz VLQITRZHVMWWSF-ROUUACIJSA-N 2 0 345.874 3.067 20 0 EGADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(O)c1 ZINC000570505850 317065023 /nfs/dbraw/zinc/06/50/23/317065023.db2.gz OSLWLACVXQDWMO-LAUBAEHRSA-N 2 0 339.483 3.032 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000570895330 317122401 /nfs/dbraw/zinc/12/24/01/317122401.db2.gz QEMDQPROZBXOAV-PGRDOPGGSA-N 2 0 341.543 3.337 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000571225492 317168376 /nfs/dbraw/zinc/16/83/76/317168376.db2.gz GLTLGQZSMFEZCU-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC1CCCC1 ZINC000571632492 317225883 /nfs/dbraw/zinc/22/58/83/317225883.db2.gz LAOKCHNAUDVMFF-FBBABVLZSA-N 2 0 344.499 3.021 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)CC1 ZINC000572323952 317320634 /nfs/dbraw/zinc/32/06/34/317320634.db2.gz BFLXBECHMIBNEM-KRWDZBQOSA-N 2 0 338.442 3.494 20 0 EGADRP C[C@H]([NH2+]C1(CN[C@H]2CCCCC[C@@H]2[NH3+])CCOCC1)c1ccccc1 ZINC000572510488 317349700 /nfs/dbraw/zinc/34/97/00/317349700.db2.gz ROYARBCLDRYQPW-IHPCNDPISA-N 2 0 345.531 3.136 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)CC3(C[NH3+])CC3)ccc21 ZINC000574634472 317620177 /nfs/dbraw/zinc/62/01/77/317620177.db2.gz OWSYESRVWWSEOV-UHFFFAOYSA-N 2 0 342.487 3.051 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000174508333 323307454 /nfs/dbraw/zinc/30/74/54/323307454.db2.gz VRLPMVDXMJEZHB-RBUKOAKNSA-N 2 0 332.488 3.064 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000178035408 323350522 /nfs/dbraw/zinc/35/05/22/323350522.db2.gz NGPBWGLDMHPCGD-FHWLQOOXSA-N 2 0 348.531 3.495 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000396319303 324294020 /nfs/dbraw/zinc/29/40/20/324294020.db2.gz IGLHVLDOYNKRIC-UHFFFAOYSA-N 2 0 336.442 3.467 20 0 EGADRP CCn1cncc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417947321 324302721 /nfs/dbraw/zinc/30/27/21/324302721.db2.gz GHDJLZLQMHLJAN-PKOBYXMFSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@H](NCc1cnc(C2CC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459471093 324359489 /nfs/dbraw/zinc/35/94/89/324359489.db2.gz FVCGFYWSRNMLGO-OXJNMPFZSA-N 2 0 336.483 3.354 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc2cccnc12 ZINC000579087876 325060222 /nfs/dbraw/zinc/06/02/22/325060222.db2.gz DGWVPJXIMNDFRN-UXHICEINSA-N 2 0 339.483 3.262 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2ccc(Br)cc2F)C1 ZINC000579613799 325136590 /nfs/dbraw/zinc/13/65/90/325136590.db2.gz DIGUMLPZLRXBJB-KGLIPLIRSA-N 2 0 329.257 3.380 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000579958513 325182901 /nfs/dbraw/zinc/18/29/01/325182901.db2.gz HWLKJSVLKWPSBQ-DLBZAZTESA-N 2 0 349.482 3.209 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000581931295 325399735 /nfs/dbraw/zinc/39/97/35/325399735.db2.gz IGVCUARMTJZEKI-OSHAMATESA-N 2 0 337.467 3.266 20 0 EGADRP Cn1cc([C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000180716473 455232723 /nfs/dbraw/zinc/23/27/23/455232723.db2.gz JBEYWMAYBHFQRW-CEXWTWQISA-N 2 0 330.451 3.111 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424329971 458617650 /nfs/dbraw/zinc/61/76/50/458617650.db2.gz REEQAQQEJHAQGK-OWCLPIDISA-N 2 0 326.525 3.453 20 0 EGADRP CC[C@@H](CCO)C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183148166 455239248 /nfs/dbraw/zinc/23/92/48/455239248.db2.gz IFAXQHDGVUWBHR-VMXMFDLUSA-N 2 0 330.516 3.285 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183184791 455246280 /nfs/dbraw/zinc/24/62/80/455246280.db2.gz YULRGIMLWWNZHB-RLLQIKCJSA-N 2 0 330.516 3.487 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173319091 455264939 /nfs/dbraw/zinc/26/49/39/455264939.db2.gz NLDILAZSJWPDLW-OAHLLOKOSA-N 2 0 343.437 3.384 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000173384752 455277257 /nfs/dbraw/zinc/27/72/57/455277257.db2.gz JKJZIZRJCMFRLL-HUUCEWRRSA-N 2 0 343.437 3.240 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845874 460579870 /nfs/dbraw/zinc/57/98/70/460579870.db2.gz MXBHYJVRSNJIKW-KDOFPFPSSA-N 2 0 327.476 3.042 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C ZINC000245578572 455333517 /nfs/dbraw/zinc/33/35/17/455333517.db2.gz IFJGYOACTYKONB-HHXXYDBFSA-N 2 0 340.471 3.410 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576336 455333834 /nfs/dbraw/zinc/33/38/34/455333834.db2.gz BCMOFEIBCFUWJV-PZJWPPBQSA-N 2 0 346.515 3.408 20 0 EGADRP c1ccc2c(c1)[nH+]ccc2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173998673 455349733 /nfs/dbraw/zinc/34/97/33/455349733.db2.gz OCHOHYAMPJASFC-UHFFFAOYSA-N 2 0 325.456 3.316 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCSCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000600778208 460600107 /nfs/dbraw/zinc/60/01/07/460600107.db2.gz WRLBVNRJGXODSE-LSDHHAIUSA-N 2 0 332.435 3.379 20 0 EGADRP Cc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)ncc1Br ZINC000623540457 460602910 /nfs/dbraw/zinc/60/29/10/460602910.db2.gz ZZLSYRAIXRZRQS-UHFFFAOYSA-N 2 0 328.298 3.363 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000027762496 453820341 /nfs/dbraw/zinc/82/03/41/453820341.db2.gz ZVPUCTRXVPRNAK-GOSISDBHSA-N 2 0 343.515 3.277 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000081332507 453861873 /nfs/dbraw/zinc/86/18/73/453861873.db2.gz AYORXTCPIFWBBJ-LJQANCHMSA-N 2 0 345.531 3.332 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000081633629 453899440 /nfs/dbraw/zinc/89/94/40/453899440.db2.gz RJXIMCYTKLHMFA-MRXNPFEDSA-N 2 0 349.906 3.332 20 0 EGADRP CCCC[N@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000076463222 454003231 /nfs/dbraw/zinc/00/32/31/454003231.db2.gz UODKAHLECLLOAY-UHFFFAOYSA-N 2 0 345.531 3.198 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056522857 454064564 /nfs/dbraw/zinc/06/45/64/454064564.db2.gz MLQJTLWFNFGHDU-OAHLLOKOSA-N 2 0 349.544 3.399 20 0 EGADRP CC(C)c1cccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056524830 454065349 /nfs/dbraw/zinc/06/53/49/454065349.db2.gz KIIPQAUBMZPHOL-UHFFFAOYSA-N 2 0 331.504 3.412 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2ccccc2c1 ZINC000057157322 454108367 /nfs/dbraw/zinc/10/83/67/454108367.db2.gz JNFZXHBROOCMAN-UHFFFAOYSA-N 2 0 341.499 3.185 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000089215454 454127205 /nfs/dbraw/zinc/12/72/05/454127205.db2.gz VMXFVSDBACGCQU-CQSZACIVSA-N 2 0 325.460 3.056 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510713 454157417 /nfs/dbraw/zinc/15/74/17/454157417.db2.gz ODHWJNYIKMVRQV-HLIPFELVSA-N 2 0 343.515 3.131 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000130282656 454187043 /nfs/dbraw/zinc/18/70/43/454187043.db2.gz XWKILRYBJAAMDQ-MRXNPFEDSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634952692 460627410 /nfs/dbraw/zinc/62/74/10/460627410.db2.gz GMBVYJWEQOXJLX-IRXDYDNUSA-N 2 0 326.488 3.478 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000072038084 454267846 /nfs/dbraw/zinc/26/78/46/454267846.db2.gz SOZGKUFAIKWFLF-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000090586599 454324135 /nfs/dbraw/zinc/32/41/35/454324135.db2.gz PQNXFRXRBZMXFY-MRXNPFEDSA-N 2 0 336.549 3.070 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000061070215 454327662 /nfs/dbraw/zinc/32/76/62/454327662.db2.gz FRAPBHCMAXTHJZ-UHFFFAOYSA-N 2 0 347.890 3.360 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000090936481 454351060 /nfs/dbraw/zinc/35/10/60/454351060.db2.gz GVEHFAAUQMMCPF-JZXOWHBKSA-N 2 0 334.504 3.202 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC)cc1 ZINC000090936953 454351319 /nfs/dbraw/zinc/35/13/19/454351319.db2.gz FBENABYPHQFWAL-LJQANCHMSA-N 2 0 343.471 3.272 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000121058950 454385465 /nfs/dbraw/zinc/38/54/65/454385465.db2.gz NMMMIIIOKGAFNW-PZJWPPBQSA-N 2 0 331.548 3.035 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285161 454422733 /nfs/dbraw/zinc/42/27/33/454422733.db2.gz JZTRGKYDCAHFHW-OAQYLSRUSA-N 2 0 347.547 3.400 20 0 EGADRP Cc1ccc([C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)cc1 ZINC000091333136 454427893 /nfs/dbraw/zinc/42/78/93/454427893.db2.gz MQKSNINZQXOFPZ-NRFANRHFSA-N 2 0 329.532 3.309 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000091334726 454427902 /nfs/dbraw/zinc/42/79/02/454427902.db2.gz WUVSCSACQSUZQI-UZLBHIALSA-N 2 0 333.495 3.283 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000097476090 454437046 /nfs/dbraw/zinc/43/70/46/454437046.db2.gz CCKFXEHYWWWMSB-UHFFFAOYSA-N 2 0 336.476 3.319 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000121722524 454469661 /nfs/dbraw/zinc/46/96/61/454469661.db2.gz LMEYMLGNNRPDIN-INIZCTEOSA-N 2 0 345.487 3.416 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1)C(C)C ZINC000101627575 454477604 /nfs/dbraw/zinc/47/76/04/454477604.db2.gz WGANNADLNATLAO-UHFFFAOYSA-N 2 0 333.520 3.235 20 0 EGADRP CC[NH+](CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)C1CC1 ZINC000101957178 454490107 /nfs/dbraw/zinc/49/01/07/454490107.db2.gz ZKANHSQJANYTJA-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564621 454498303 /nfs/dbraw/zinc/49/83/03/454498303.db2.gz ICPRPMGXCAMBNN-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000134115835 454505133 /nfs/dbraw/zinc/50/51/33/454505133.db2.gz OJTXFNCSGCSEJC-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000134149697 454509575 /nfs/dbraw/zinc/50/95/75/454509575.db2.gz ZBMVUISCVUJDJH-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H]1CCCO1 ZINC000092407531 454562048 /nfs/dbraw/zinc/56/20/48/454562048.db2.gz ILSUBVJRNASQDZ-FQEVSTJZSA-N 2 0 345.531 3.218 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCCSC2)CC1 ZINC000092406051 454562129 /nfs/dbraw/zinc/56/21/29/454562129.db2.gz XNQJNTBNTIAYOO-AWEZNQCLSA-N 2 0 339.936 3.077 20 0 EGADRP Nc1ccc(-c2cccc(CN3CCC([NH2+]CC4CC4)CC3)n2)cc1 ZINC000634990795 460642680 /nfs/dbraw/zinc/64/26/80/460642680.db2.gz CQXUAGVWVNMCGX-UHFFFAOYSA-N 2 0 336.483 3.295 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000092756947 454626245 /nfs/dbraw/zinc/62/62/45/454626245.db2.gz UFPVTNQKKFPITA-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123393541 454632002 /nfs/dbraw/zinc/63/20/02/454632002.db2.gz GROZMBUVSIKNIW-QGZVFWFLSA-N 2 0 343.515 3.018 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2cccc(C)c2)CC1 ZINC000052209226 454661767 /nfs/dbraw/zinc/66/17/67/454661767.db2.gz SHFTYGUDNLJCCO-FQEVSTJZSA-N 2 0 348.531 3.179 20 0 EGADRP C[C@@H]([NH2+]CCN1CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000123969259 454691630 /nfs/dbraw/zinc/69/16/30/454691630.db2.gz JABBBPFEZVHASJ-GOSISDBHSA-N 2 0 333.520 3.154 20 0 EGADRP Fc1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000635004444 460648400 /nfs/dbraw/zinc/64/84/00/460648400.db2.gz OOVINSZBYREQKQ-MIMASFHYSA-N 2 0 338.854 3.287 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161664760 454712551 /nfs/dbraw/zinc/71/25/51/454712551.db2.gz ZSUHPQQPTABSFE-WMLDXEAASA-N 2 0 341.902 3.403 20 0 EGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124472766 454737602 /nfs/dbraw/zinc/73/76/02/454737602.db2.gz WLYBIYHYAHAVIZ-ZWKOTPCHSA-N 2 0 347.547 3.050 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000635009772 460652133 /nfs/dbraw/zinc/65/21/33/460652133.db2.gz ZJSUUSCBISRKLD-IIAWOOMASA-N 2 0 330.476 3.139 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000635008824 460652168 /nfs/dbraw/zinc/65/21/68/460652168.db2.gz HLSHTKHCEFZQSH-LAUBAEHRSA-N 2 0 341.543 3.465 20 0 EGADRP Fc1ccc2c(c1)[C@@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CCS2 ZINC000635008489 460652203 /nfs/dbraw/zinc/65/22/03/460652203.db2.gz KFQMMUHVRYVOAK-INIZCTEOSA-N 2 0 344.459 3.279 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000635009591 460652515 /nfs/dbraw/zinc/65/25/15/460652515.db2.gz IHUULWYLHXQGGN-LJQANCHMSA-N 2 0 338.451 3.127 20 0 EGADRP Cc1nc(CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000124767172 454767874 /nfs/dbraw/zinc/76/78/74/454767874.db2.gz MVWBRNTTYHKSOH-GOSISDBHSA-N 2 0 329.513 3.448 20 0 EGADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000635011147 460653450 /nfs/dbraw/zinc/65/34/50/460653450.db2.gz XUMUWVNSPRXDLG-ZDUSSCGKSA-N 2 0 348.397 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124812814 454771828 /nfs/dbraw/zinc/77/18/28/454771828.db2.gz QHENYAFUYSQGSV-LJQANCHMSA-N 2 0 335.923 3.332 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124813008 454771929 /nfs/dbraw/zinc/77/19/29/454771929.db2.gz QHENYAFUYSQGSV-IBGZPJMESA-N 2 0 335.923 3.332 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)CCCO2 ZINC000635010405 460653558 /nfs/dbraw/zinc/65/35/58/460653558.db2.gz KNGPKUXCHHDOQC-IBGZPJMESA-N 2 0 326.415 3.475 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137747822 454784682 /nfs/dbraw/zinc/78/46/82/454784682.db2.gz ANECVLIOCXTUFN-SFHVURJKSA-N 2 0 331.504 3.296 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)[C@H](C)C1 ZINC000153363410 454785813 /nfs/dbraw/zinc/78/58/13/454785813.db2.gz DPYPVYHFPYZKQV-HOJAQTOUSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000138411875 454792524 /nfs/dbraw/zinc/79/25/24/454792524.db2.gz WQTZSQHTMUDFMH-SFHVURJKSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000125447247 454823114 /nfs/dbraw/zinc/82/31/14/454823114.db2.gz CEAFBSFJNCLNGL-INIZCTEOSA-N 2 0 329.488 3.196 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000109696633 454833369 /nfs/dbraw/zinc/83/33/69/454833369.db2.gz QCWWAKQTKBDWFY-KRWDZBQOSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@H]([N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1(C)CC1 ZINC000177222846 454838948 /nfs/dbraw/zinc/83/89/48/454838948.db2.gz NDFOAOYJSLDURP-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000163552883 454855303 /nfs/dbraw/zinc/85/53/03/454855303.db2.gz BCTSBJKCARGJAS-UHFFFAOYSA-N 2 0 339.474 3.348 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1cnccn1 ZINC000163587295 454856470 /nfs/dbraw/zinc/85/64/70/454856470.db2.gz UNZAHWZYKFQRLD-AWEZNQCLSA-N 2 0 330.863 3.445 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019030 454872539 /nfs/dbraw/zinc/87/25/39/454872539.db2.gz XGCOPWXVXSUVBV-OPYAIIAOSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164300743 454879730 /nfs/dbraw/zinc/87/97/30/454879730.db2.gz MLMJMWDNYRGKIZ-LPHOPBHVSA-N 2 0 340.467 3.281 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000126382522 454889903 /nfs/dbraw/zinc/88/99/03/454889903.db2.gz HWYJTWCPRQUWST-WBMJQRKESA-N 2 0 343.284 3.451 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000154551971 454906568 /nfs/dbraw/zinc/90/65/68/454906568.db2.gz UCUJPLZFFGERBJ-UZLBHIALSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC000126644097 454908110 /nfs/dbraw/zinc/90/81/10/454908110.db2.gz JWNRCQUCKYTCOR-KRWDZBQOSA-N 2 0 341.474 3.424 20 0 EGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000151082886 454934565 /nfs/dbraw/zinc/93/45/65/454934565.db2.gz SSYNPYCAGFEZLE-CQSZACIVSA-N 2 0 335.458 3.113 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000151115546 454940066 /nfs/dbraw/zinc/94/00/66/454940066.db2.gz GLRWERFVGCBRLL-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127407431 454962083 /nfs/dbraw/zinc/96/20/83/454962083.db2.gz LZYOPJDJHCJJNX-KNQAVFIVSA-N 2 0 337.511 3.196 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178717653 454969330 /nfs/dbraw/zinc/96/93/30/454969330.db2.gz RORPPXGBUXRWOJ-CABCVRRESA-N 2 0 330.476 3.081 20 0 EGADRP c1cnn(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)c1 ZINC000179169064 455015987 /nfs/dbraw/zinc/01/59/87/455015987.db2.gz UNOCKPQKANZYPP-NQIIRXRSSA-N 2 0 336.483 3.321 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)C(C)C ZINC000155844656 455051821 /nfs/dbraw/zinc/05/18/21/455051821.db2.gz BZTYQGZDEWMPNX-QGZVFWFLSA-N 2 0 329.492 3.427 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1C(F)(F)F ZINC000128425279 455055452 /nfs/dbraw/zinc/05/54/52/455055452.db2.gz MBHXDRLMZBVGNL-OAHLLOKOSA-N 2 0 343.437 3.384 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000155874173 455056229 /nfs/dbraw/zinc/05/62/29/455056229.db2.gz WXDBAAJWJMVODB-UHFFFAOYSA-N 2 0 338.386 3.325 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000155992669 455070026 /nfs/dbraw/zinc/07/00/26/455070026.db2.gz CCEDDUFLLIUVLV-SFHVURJKSA-N 2 0 343.471 3.154 20 0 EGADRP Brc1ccc(CN2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000156339657 455106746 /nfs/dbraw/zinc/10/67/46/455106746.db2.gz HKIHMMSNLWFOGM-INIZCTEOSA-N 2 0 333.229 3.497 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152370697 455108734 /nfs/dbraw/zinc/10/87/34/455108734.db2.gz FVBKTFVNWANHJA-LSDHHAIUSA-N 2 0 335.517 3.009 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000623655897 460663117 /nfs/dbraw/zinc/66/31/17/460663117.db2.gz IEMYPRCPAMKSBO-FQEVSTJZSA-N 2 0 339.483 3.482 20 0 EGADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)c1cccc(OC)c1 ZINC000119037722 455121781 /nfs/dbraw/zinc/12/17/81/455121781.db2.gz FVRCKKKUKPTYRT-QMMLZNLJSA-N 2 0 347.547 3.398 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000152481079 455124701 /nfs/dbraw/zinc/12/47/01/455124701.db2.gz DOAILKOSDVHMHN-ZBFHGGJFSA-N 2 0 342.462 3.455 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000237348984 455176265 /nfs/dbraw/zinc/17/62/65/455176265.db2.gz YYNJNXMKDSMDSB-UTKZUKDTSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000180486105 455180245 /nfs/dbraw/zinc/18/02/45/455180245.db2.gz GHPXMPKNNOGXTR-IBGZPJMESA-N 2 0 336.545 3.097 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000237445803 455184970 /nfs/dbraw/zinc/18/49/70/455184970.db2.gz GELHWZQQAOQZJN-YLJYHZDGSA-N 2 0 337.467 3.440 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442825 455301231 /nfs/dbraw/zinc/30/12/31/455301231.db2.gz WQKBPUVPRBJJKW-CABCVRRESA-N 2 0 337.895 3.331 20 0 EGADRP CCS[C@H](C)c1noc(CN2CCC[C@@H](Cc3nccn3C)C2)n1 ZINC000245629750 455344459 /nfs/dbraw/zinc/34/44/59/455344459.db2.gz PVHKTYYHOATRTF-KGLIPLIRSA-N 2 0 349.504 3.072 20 0 EGADRP COc1cccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000190909627 455403433 /nfs/dbraw/zinc/40/34/33/455403433.db2.gz YDQIOVUQANQFEY-UHFFFAOYSA-N 2 0 331.485 3.154 20 0 EGADRP COC(=O)c1oc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246100803 455426690 /nfs/dbraw/zinc/42/66/90/455426690.db2.gz OQSCZLBNMPCVQG-YQQAZPJKSA-N 2 0 346.471 3.384 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000246173575 455440917 /nfs/dbraw/zinc/44/09/17/455440917.db2.gz MRJXDMLBHGRBJC-BBRMVZONSA-N 2 0 330.394 3.448 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)n1 ZINC000246298398 455466485 /nfs/dbraw/zinc/46/64/85/455466485.db2.gz CXLRCLWGGHUCPZ-RVKKMQEKSA-N 2 0 342.487 3.160 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)nc1 ZINC000182269842 455476422 /nfs/dbraw/zinc/47/64/22/455476422.db2.gz ODBMOZXNDFRBFP-KSSFIOAISA-N 2 0 345.874 3.152 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246954072 455537940 /nfs/dbraw/zinc/53/79/40/455537940.db2.gz INMHAHNOFVLWGT-UKAVVXHISA-N 2 0 329.532 3.359 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)[C@@H](C)C1 ZINC000247136931 455565135 /nfs/dbraw/zinc/56/51/35/455565135.db2.gz AXCLYWWUJPNTPV-UHOSZYNNSA-N 2 0 333.495 3.423 20 0 EGADRP CCOC[C@@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000247215604 455574341 /nfs/dbraw/zinc/57/43/41/455574341.db2.gz WEHUEJXMPYNUOE-WOJBJXKFSA-N 2 0 340.552 3.120 20 0 EGADRP CC[NH+]1CCN(CCCNc2cc(C(C)(C)C)nc(C(C)C)n2)CC1 ZINC000192278000 455586454 /nfs/dbraw/zinc/58/64/54/455586454.db2.gz CRXSOBGDGYAWOC-UHFFFAOYSA-N 2 0 347.551 3.337 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000284076881 455632889 /nfs/dbraw/zinc/63/28/89/455632889.db2.gz SFQALROGPGMJJW-UHFFFAOYSA-N 2 0 336.439 3.105 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000185876224 455639474 /nfs/dbraw/zinc/63/94/74/455639474.db2.gz PWWDMTQMMOBVEB-QGZVFWFLSA-N 2 0 327.472 3.062 20 0 EGADRP C[C@@H]1COCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000192614158 455654157 /nfs/dbraw/zinc/65/41/57/455654157.db2.gz WHOWRHMNFFDIGG-WIYYLYMNSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000284245477 455656738 /nfs/dbraw/zinc/65/67/38/455656738.db2.gz FXDMGOBHTLAEAR-QGZVFWFLSA-N 2 0 348.450 3.071 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271488626 455656895 /nfs/dbraw/zinc/65/68/95/455656895.db2.gz KDTZNDJPBQXVNX-HBMCJLEFSA-N 2 0 348.506 3.360 20 0 EGADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000247942511 455657866 /nfs/dbraw/zinc/65/78/66/455657866.db2.gz GMVRWVITUPEGGL-TZMCWYRMSA-N 2 0 328.403 3.432 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000271510204 455664821 /nfs/dbraw/zinc/66/48/21/455664821.db2.gz NTMUGTHLUDHCKR-PWRODBHTSA-N 2 0 328.500 3.422 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248008825 455668647 /nfs/dbraw/zinc/66/86/47/455668647.db2.gz LARKYZKVAUACEV-LNLFQRSKSA-N 2 0 329.488 3.047 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000268442945 455684456 /nfs/dbraw/zinc/68/44/56/455684456.db2.gz DECNYDRTCXQBHN-MISYRCLQSA-N 2 0 345.531 3.084 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000192785569 455692286 /nfs/dbraw/zinc/69/22/86/455692286.db2.gz SFHJNZMYFIQNBG-NRFANRHFSA-N 2 0 347.547 3.398 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000186186940 455712290 /nfs/dbraw/zinc/71/22/90/455712290.db2.gz ZQDDAXBTUGSXHD-HXUWFJFHSA-N 2 0 329.532 3.296 20 0 EGADRP CO[C@@H](C)[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000268905228 455725456 /nfs/dbraw/zinc/72/54/56/455725456.db2.gz GNZZMMKIWYDGFU-ROUUACIJSA-N 2 0 334.504 3.071 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000193308758 455751787 /nfs/dbraw/zinc/75/17/87/455751787.db2.gz GGHVLZQHUZDGGH-UHFFFAOYSA-N 2 0 344.330 3.153 20 0 EGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269003774 455760054 /nfs/dbraw/zinc/76/00/54/455760054.db2.gz MEQNHUSFDONGLF-INIZCTEOSA-N 2 0 329.488 3.319 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CC[NH+](C)C ZINC000269021944 455765287 /nfs/dbraw/zinc/76/52/87/455765287.db2.gz PWLYGTYCMBFTRM-QWHCGFSZSA-N 2 0 345.409 3.352 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271822354 455774827 /nfs/dbraw/zinc/77/48/27/455774827.db2.gz CPLGWIBTDMNQQU-HNNXBMFYSA-N 2 0 330.476 3.129 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000249843031 455777992 /nfs/dbraw/zinc/77/79/92/455777992.db2.gz NWYCINIIEJPPDI-VSKRKVRLSA-N 2 0 341.543 3.209 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CSCCS2)CC[N@@H+]1Cc1ccccc1 ZINC000269066137 455780077 /nfs/dbraw/zinc/78/00/77/455780077.db2.gz LLECIFZBPUSVJC-NJAFHUGGSA-N 2 0 336.570 3.478 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CSCCS2)CC[N@@H+]1Cc1ccccc1 ZINC000269066114 455780425 /nfs/dbraw/zinc/78/04/25/455780425.db2.gz LLECIFZBPUSVJC-BPQIPLTHSA-N 2 0 336.570 3.478 20 0 EGADRP C[NH+](C)C1CCN(c2ccc(NCc3cccnc3Cl)nc2)CC1 ZINC000269125110 455793759 /nfs/dbraw/zinc/79/37/59/455793759.db2.gz GWWVROOWGUQIOS-UHFFFAOYSA-N 2 0 345.878 3.273 20 0 EGADRP C[C@@H](CC[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000194300363 455824345 /nfs/dbraw/zinc/82/43/45/455824345.db2.gz BBWYABUJYDMGHO-SFHVURJKSA-N 2 0 338.499 3.117 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1sccc1C[NH+](C)C ZINC000272084691 455842186 /nfs/dbraw/zinc/84/21/86/455842186.db2.gz WXKKWNJUVTWZKP-OAHLLOKOSA-N 2 0 345.512 3.060 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187003915 455861341 /nfs/dbraw/zinc/86/13/41/455861341.db2.gz KFLIBLZVAURJDI-IEBWSBKVSA-N 2 0 347.572 3.456 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187003944 455861449 /nfs/dbraw/zinc/86/14/49/455861449.db2.gz KFLIBLZVAURJDI-MJGOQNOKSA-N 2 0 347.572 3.456 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1OC ZINC000285561320 455870144 /nfs/dbraw/zinc/87/01/44/455870144.db2.gz HGTQBLHXWPLNMX-BMGDILEWSA-N 2 0 332.488 3.160 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCSCC2)[C@H](C)C1 ZINC000187210676 455882488 /nfs/dbraw/zinc/88/24/88/455882488.db2.gz OXNASVFSKLZPHF-RYRKJORJSA-N 2 0 328.566 3.245 20 0 EGADRP COC1(C)CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000272319288 455911592 /nfs/dbraw/zinc/91/15/92/455911592.db2.gz ABXDEJHAKZBTBK-UHFFFAOYSA-N 2 0 345.531 3.218 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000272334090 455918045 /nfs/dbraw/zinc/91/80/45/455918045.db2.gz YJUWFKWVHPXCJW-WWMYMODYSA-N 2 0 345.531 3.032 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000261706649 455932696 /nfs/dbraw/zinc/93/26/96/455932696.db2.gz IWFHABWCLMPJSC-LSTHTHJFSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000280292203 455938327 /nfs/dbraw/zinc/93/83/27/455938327.db2.gz UQXNHYXWLFDTJL-QGZVFWFLSA-N 2 0 326.488 3.466 20 0 EGADRP CCN(CCCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000261760549 455942777 /nfs/dbraw/zinc/94/27/77/455942777.db2.gz VSFFOUANYUBHRZ-ROUUACIJSA-N 2 0 331.504 3.045 20 0 EGADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000261778596 455946010 /nfs/dbraw/zinc/94/60/10/455946010.db2.gz JIAWETMFPZNHBO-KRWDZBQOSA-N 2 0 329.488 3.391 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(F)c1 ZINC000187742319 455946653 /nfs/dbraw/zinc/94/66/53/455946653.db2.gz IGSQVHJSCXAKRX-IBGZPJMESA-N 2 0 342.462 3.213 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000261783500 455947275 /nfs/dbraw/zinc/94/72/75/455947275.db2.gz BKYQNIFURYIIRM-DLBZAZTESA-N 2 0 329.488 3.247 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261815459 455953291 /nfs/dbraw/zinc/95/32/91/455953291.db2.gz NRRPARNDSYUPLK-QFBILLFUSA-N 2 0 331.504 3.118 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272464685 455959834 /nfs/dbraw/zinc/95/98/34/455959834.db2.gz KQIRMAZAHCNOFQ-DJPFJPOOSA-N 2 0 342.458 3.359 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187956618 455972059 /nfs/dbraw/zinc/97/20/59/455972059.db2.gz NUCXKKHOEBMVNC-BAGYTPMASA-N 2 0 343.559 3.360 20 0 EGADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261956952 455977484 /nfs/dbraw/zinc/97/74/84/455977484.db2.gz PAIHIZVQFFEJJV-OXGONZEZSA-N 2 0 334.426 3.102 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272529519 455984274 /nfs/dbraw/zinc/98/42/74/455984274.db2.gz JXASUSOWTJCUCG-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262013935 455984681 /nfs/dbraw/zinc/98/46/81/455984681.db2.gz WSGIGWVRCIMRBG-RYUDHWBXSA-N 2 0 344.286 3.381 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262026906 455987106 /nfs/dbraw/zinc/98/71/06/455987106.db2.gz ZUYFINFTAIQBSK-LKXUXUIPSA-N 2 0 343.515 3.080 20 0 EGADRP C[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555422 455993471 /nfs/dbraw/zinc/99/34/71/455993471.db2.gz FXRMBFOWRJCLSP-SBHAEUEKSA-N 2 0 329.532 3.219 20 0 EGADRP C[NH2+]CC1CC[NH+](CC2(COc3cccc(COC)c3)CCC2)CC1 ZINC000262107227 455998384 /nfs/dbraw/zinc/99/83/84/455998384.db2.gz JUTXVWSRWDZDBG-UHFFFAOYSA-N 2 0 346.515 3.314 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262208933 456012179 /nfs/dbraw/zinc/01/21/79/456012179.db2.gz DTIMNPKPYZAHBJ-PTKMUVKOSA-N 2 0 349.563 3.013 20 0 EGADRP c1cc2c(ncnc2N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000286283236 456016383 /nfs/dbraw/zinc/01/63/83/456016383.db2.gz IESXMQFANVTUDQ-HXUWFJFHSA-N 2 0 333.439 3.060 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262318535 456025348 /nfs/dbraw/zinc/02/53/48/456025348.db2.gz DVQZIEDXEJLGAZ-OXECSCMPSA-N 2 0 349.563 3.157 20 0 EGADRP COC(=O)c1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000296747657 456028411 /nfs/dbraw/zinc/02/84/11/456028411.db2.gz PLQKDXIRZYQVMC-GOSISDBHSA-N 2 0 336.863 3.044 20 0 EGADRP COC(=O)c1ccc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000222122508 456044793 /nfs/dbraw/zinc/04/47/93/456044793.db2.gz NGFWHLVZFSFNQJ-OFQRWUPVSA-N 2 0 332.444 3.076 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000262965478 456072584 /nfs/dbraw/zinc/07/25/84/456072584.db2.gz LGFABCXSWIAPRO-QUCCMNQESA-N 2 0 347.503 3.253 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000280917145 456081050 /nfs/dbraw/zinc/08/10/50/456081050.db2.gz GYWCWQBWWZMRIQ-DZGCQCFKSA-N 2 0 330.394 3.243 20 0 EGADRP c1cncc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCC2)c1 ZINC000280934775 456086494 /nfs/dbraw/zinc/08/64/94/456086494.db2.gz SAZMVYOGNOKFOA-JXFKEZNVSA-N 2 0 329.488 3.013 20 0 EGADRP FC(F)(F)c1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000297007500 456089813 /nfs/dbraw/zinc/08/98/13/456089813.db2.gz PKSNKNYLXLEGQK-MRXNPFEDSA-N 2 0 328.378 3.078 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263177696 456105770 /nfs/dbraw/zinc/10/57/70/456105770.db2.gz GIRJUPHXWSFRPN-UYAOXDASSA-N 2 0 331.504 3.052 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1)C(C)C ZINC000281135548 456143890 /nfs/dbraw/zinc/14/38/90/456143890.db2.gz UOKGNAGSCAUSQV-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000236663519 456165713 /nfs/dbraw/zinc/16/57/13/456165713.db2.gz BUTVDYOVAUQBKP-QGZVFWFLSA-N 2 0 345.531 3.169 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](C2CCC2)CC1 ZINC000271206438 456172152 /nfs/dbraw/zinc/17/21/52/456172152.db2.gz WDECRRMHKPHZLY-UHFFFAOYSA-N 2 0 329.532 3.315 20 0 EGADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236718859 456174477 /nfs/dbraw/zinc/17/44/77/456174477.db2.gz XLDKHGGXDBZSMS-HZPDHXFCSA-N 2 0 337.533 3.011 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc(C[NH3+])o2)c1 ZINC000236727918 456176033 /nfs/dbraw/zinc/17/60/33/456176033.db2.gz XPDZWFQKDSYVAW-UHFFFAOYSA-N 2 0 343.471 3.290 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])CC(C)C)c1ccccc1Cl ZINC000236833348 456190714 /nfs/dbraw/zinc/19/07/14/456190714.db2.gz RBEUSEWJVTXWCK-SJORKVTESA-N 2 0 339.911 3.213 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1)C(C)C ZINC000289956787 456193827 /nfs/dbraw/zinc/19/38/27/456193827.db2.gz PONHQSWTVGEMQS-OAQYLSRUSA-N 2 0 343.515 3.133 20 0 EGADRP COc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc(C)nc12 ZINC000301716417 456195960 /nfs/dbraw/zinc/19/59/60/456195960.db2.gz NFCXUOGFDXBFRQ-DOTOQJQBSA-N 2 0 325.456 3.472 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000236918300 456201542 /nfs/dbraw/zinc/20/15/42/456201542.db2.gz NIEBVJREDZXIGA-NRFANRHFSA-N 2 0 339.483 3.019 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000273179569 456204243 /nfs/dbraw/zinc/20/42/43/456204243.db2.gz GIHRYCBKGHCGOV-HOTGVXAUSA-N 2 0 335.492 3.008 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189033409 456205283 /nfs/dbraw/zinc/20/52/83/456205283.db2.gz GTTRRYXTNYNRRT-TZIWHRDSSA-N 2 0 329.532 3.013 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000301762335 456207846 /nfs/dbraw/zinc/20/78/46/456207846.db2.gz NESUWFXNJLJNAJ-SJORKVTESA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000189152393 456242152 /nfs/dbraw/zinc/24/21/52/456242152.db2.gz LOGRYJXPJDHYTJ-LBPRGKRZSA-N 2 0 349.828 3.084 20 0 EGADRP COCCOCc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000290135411 456249401 /nfs/dbraw/zinc/24/94/01/456249401.db2.gz NHCPLLBCTFTXPT-GOSISDBHSA-N 2 0 334.504 3.204 20 0 EGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000297635436 456268634 /nfs/dbraw/zinc/26/86/34/456268634.db2.gz IARFDLUHJFMROS-KRWDZBQOSA-N 2 0 343.515 3.446 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c(Cl)nc4ccccn43)C2)CC1 ZINC000290294951 456282425 /nfs/dbraw/zinc/28/24/25/456282425.db2.gz ARGBDVRBZOTXDB-HNNXBMFYSA-N 2 0 332.879 3.151 20 0 EGADRP [NH3+]CCCN(c1cccc(F)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000297830978 456303769 /nfs/dbraw/zinc/30/37/69/456303769.db2.gz ZQGFGHJGMOWUHW-UHFFFAOYSA-N 2 0 328.435 3.045 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290421597 456324055 /nfs/dbraw/zinc/32/40/55/456324055.db2.gz KUAKJASFIUTSQT-OAHLLOKOSA-N 2 0 346.906 3.390 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302230584 456324412 /nfs/dbraw/zinc/32/44/12/456324412.db2.gz RTOVHWAIWFLCDS-HNNXBMFYSA-N 2 0 338.455 3.025 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC(C)C ZINC000290434547 456327691 /nfs/dbraw/zinc/32/76/91/456327691.db2.gz LMRABXKUVYWESS-ZWKOTPCHSA-N 2 0 332.488 3.399 20 0 EGADRP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347749131 456348310 /nfs/dbraw/zinc/34/83/10/456348310.db2.gz ABBMNZALYGPYJI-PMACEKPBSA-N 2 0 345.531 3.087 20 0 EGADRP c1[nH]c2nccnc2c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000290505914 456348283 /nfs/dbraw/zinc/34/82/83/456348283.db2.gz SVNSQYAQBYLRRQ-UHFFFAOYSA-N 2 0 327.476 3.046 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C12CCC[NH+](CCC1)C2 ZINC000635266451 460729577 /nfs/dbraw/zinc/72/95/77/460729577.db2.gz BDTBPRQXUFGRKN-UHFFFAOYSA-N 2 0 341.499 3.487 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000340334755 456396898 /nfs/dbraw/zinc/39/68/98/456396898.db2.gz YYKDNSHZBIKAMN-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccncc1F ZINC000340476603 456484728 /nfs/dbraw/zinc/48/47/28/456484728.db2.gz IAFUFXWSSUUGQK-OAHLLOKOSA-N 2 0 331.435 3.054 20 0 EGADRP C[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340372204 456420275 /nfs/dbraw/zinc/42/02/75/456420275.db2.gz NPBKYGWBQLRGJM-CEWLAPEOSA-N 2 0 327.516 3.428 20 0 EGADRP CSC1(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398400 456437107 /nfs/dbraw/zinc/43/71/07/456437107.db2.gz ZWUGSHABVBNYNJ-RBUKOAKNSA-N 3 0 347.572 3.239 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000348011502 456438089 /nfs/dbraw/zinc/43/80/89/456438089.db2.gz SSSSZCRFUZXPND-HZPDHXFCSA-N 2 0 334.529 3.281 20 0 EGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000282300163 456470364 /nfs/dbraw/zinc/47/03/64/456470364.db2.gz MGLBGPBQXGALOK-AWEZNQCLSA-N 2 0 343.437 3.382 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCC1 ZINC000290962410 456479614 /nfs/dbraw/zinc/47/96/14/456479614.db2.gz WMJHYCZSWXEDEF-UHFFFAOYSA-N 2 0 334.529 3.019 20 0 EGADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340519228 456505460 /nfs/dbraw/zinc/50/54/60/456505460.db2.gz VIYCLXWCDZIVBC-SJORKVTESA-N 2 0 346.544 3.270 20 0 EGADRP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(C(F)F)n1 ZINC000291105239 456530225 /nfs/dbraw/zinc/53/02/25/456530225.db2.gz BJKYSGRFXSUSAC-UHFFFAOYSA-N 2 0 334.414 3.243 20 0 EGADRP Cn1cc(CCC[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000314059204 456600856 /nfs/dbraw/zinc/60/08/56/456600856.db2.gz YBSYIZSGTCBWLT-FQEVSTJZSA-N 2 0 340.515 3.245 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)s2)cn1 ZINC000282744829 456611200 /nfs/dbraw/zinc/61/12/00/456611200.db2.gz GFRAOYYPOMVJBG-RHSMWYFYSA-N 2 0 330.501 3.065 20 0 EGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276901207 456614925 /nfs/dbraw/zinc/61/49/25/456614925.db2.gz NIDLPNDFMDDNBL-INIZCTEOSA-N 2 0 347.503 3.124 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000353329037 456643288 /nfs/dbraw/zinc/64/32/88/456643288.db2.gz IVQCYCBWGHXIKR-QGZVFWFLSA-N 2 0 343.471 3.351 20 0 EGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000338000354 456648093 /nfs/dbraw/zinc/64/80/93/456648093.db2.gz QOLWLVPNGONYIJ-JKSUJKDBSA-N 2 0 340.458 3.112 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cnn(C)c2)c1 ZINC000282880447 456653488 /nfs/dbraw/zinc/65/34/88/456653488.db2.gz WPENCKUBGZZGGH-GOSISDBHSA-N 2 0 338.499 3.313 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1F ZINC000348383380 456658523 /nfs/dbraw/zinc/65/85/23/456658523.db2.gz PDNGIDYBDYUOBC-UKRRQHHQSA-N 2 0 334.357 3.087 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338106972 456663192 /nfs/dbraw/zinc/66/31/92/456663192.db2.gz ZFUPCMPANSJLLF-UYAOXDASSA-N 2 0 341.499 3.028 20 0 EGADRP CC[NH+]1CCC(NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000299347896 456664624 /nfs/dbraw/zinc/66/46/24/456664624.db2.gz MZDLARLJJJVFDK-OAQYLSRUSA-N 2 0 345.531 3.296 20 0 EGADRP Clc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1 ZINC000324532927 456668766 /nfs/dbraw/zinc/66/87/66/456668766.db2.gz YKEBHDTXRHWWOY-GASCZTMLSA-N 2 0 331.847 3.426 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000343579694 456720523 /nfs/dbraw/zinc/72/05/23/456720523.db2.gz DFPDEMIMGUMEHI-QGZVFWFLSA-N 2 0 331.504 3.017 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCn2ccnc2)c2ccccc21 ZINC000283178227 456730031 /nfs/dbraw/zinc/73/00/31/456730031.db2.gz JQZKTWQDVHHVAZ-ROUUACIJSA-N 2 0 327.428 3.045 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000353521341 456733762 /nfs/dbraw/zinc/73/37/62/456733762.db2.gz RDXCXWGTUVZYKL-UHFFFAOYSA-N 2 0 328.456 3.489 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000343736187 456768748 /nfs/dbraw/zinc/76/87/48/456768748.db2.gz QBVPETAKALEMHQ-UHFFFAOYSA-N 2 0 344.421 3.409 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277353121 456790652 /nfs/dbraw/zinc/79/06/52/456790652.db2.gz WSOFGGNBHHXAHH-HNNXBMFYSA-N 2 0 335.517 3.153 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000344242488 456808853 /nfs/dbraw/zinc/80/88/53/456808853.db2.gz YCALVOMYLXDQLQ-PMACEKPBSA-N 2 0 343.515 3.156 20 0 EGADRP COc1ccc(OC)c([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000353633073 456817364 /nfs/dbraw/zinc/81/73/64/456817364.db2.gz VVPPRDZOMMRCMK-AWEZNQCLSA-N 2 0 338.517 3.182 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353681947 456852231 /nfs/dbraw/zinc/85/22/31/456852231.db2.gz NANCEESASCYAAJ-IDGBJLRDSA-N 3 0 329.532 3.359 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000341690419 456901607 /nfs/dbraw/zinc/90/16/07/456901607.db2.gz AADSPGSRJNOWKM-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000353842145 456931219 /nfs/dbraw/zinc/93/12/19/456931219.db2.gz MNXFCJXVPJPPIE-FCEWJHQRSA-N 2 0 337.483 3.397 20 0 EGADRP Cc1sccc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000339187832 456983817 /nfs/dbraw/zinc/98/38/17/456983817.db2.gz ZRBQRZWTFWWTJF-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000341886927 456987267 /nfs/dbraw/zinc/98/72/67/456987267.db2.gz JTMRZBDHNDJLIY-GOSISDBHSA-N 2 0 346.515 3.108 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000345817181 456999819 /nfs/dbraw/zinc/99/98/19/456999819.db2.gz XCBZHZDXXPOHAJ-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP Fc1ccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477552 457046286 /nfs/dbraw/zinc/04/62/86/457046286.db2.gz DLHJLLLALVHSKB-QRWLVFNGSA-N 2 0 325.431 3.384 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000354078621 457047307 /nfs/dbraw/zinc/04/73/07/457047307.db2.gz VMNGXCJUTAJWOD-INIZCTEOSA-N 2 0 337.533 3.343 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000354109305 457068752 /nfs/dbraw/zinc/06/87/52/457068752.db2.gz ZSNAYOYXNMZPLV-HNNXBMFYSA-N 2 0 339.549 3.373 20 0 EGADRP CC(C)[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359320830 457074196 /nfs/dbraw/zinc/07/41/96/457074196.db2.gz KNXDLVVXJTXRSG-PUECVXPYSA-N 2 0 329.444 3.303 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346692885 457114822 /nfs/dbraw/zinc/11/48/22/457114822.db2.gz JOEUTBUBWABJPZ-DNVCBOLYSA-N 2 0 326.488 3.026 20 0 EGADRP COc1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OC(F)F ZINC000339437299 457118135 /nfs/dbraw/zinc/11/81/35/457118135.db2.gz MYHXIKMUBGQDPS-GOSISDBHSA-N 2 0 340.414 3.214 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000354198748 457125477 /nfs/dbraw/zinc/12/54/77/457125477.db2.gz LLLDSTDQCNOAIX-GOSISDBHSA-N 2 0 330.520 3.152 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000362872229 457136318 /nfs/dbraw/zinc/13/63/18/457136318.db2.gz POGMELGPEMQWLL-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)c1 ZINC000362931102 457161508 /nfs/dbraw/zinc/16/15/08/457161508.db2.gz PJZMJTGXRIBOGO-XLIONFOSSA-N 2 0 345.531 3.123 20 0 EGADRP FC(F)(F)c1csc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000347003441 457196634 /nfs/dbraw/zinc/19/66/34/457196634.db2.gz LKTFJZLBROOQLH-NEPJUHHUSA-N 2 0 333.423 3.341 20 0 EGADRP CCC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)C1CC[NH2+]CC1 ZINC000347092912 457226368 /nfs/dbraw/zinc/22/63/68/457226368.db2.gz GIJUZAFLBDVNJC-UHFFFAOYSA-N 2 0 326.868 3.321 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1)C1CC1 ZINC000356981469 457256387 /nfs/dbraw/zinc/25/63/87/457256387.db2.gz MZKFUWJMKRBBFR-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000356989063 457261093 /nfs/dbraw/zinc/26/10/93/457261093.db2.gz KVMSIRIFWUBLBK-KVPLUYHFSA-N 2 0 338.536 3.013 20 0 EGADRP CCCn1c2ccccc2nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357058768 457302701 /nfs/dbraw/zinc/30/27/01/457302701.db2.gz WIRLNPBBJQJLRG-KRWDZBQOSA-N 2 0 326.488 3.268 20 0 EGADRP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000357076387 457308613 /nfs/dbraw/zinc/30/86/13/457308613.db2.gz IQECBWDCPVHQJD-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000363391368 457309453 /nfs/dbraw/zinc/30/94/53/457309453.db2.gz RCRMUJHRHDBMBN-LJQANCHMSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357088123 457315198 /nfs/dbraw/zinc/31/51/98/457315198.db2.gz OCTGWECRIZPPFS-PBHICJAKSA-N 2 0 326.444 3.119 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000354744125 457317904 /nfs/dbraw/zinc/31/79/04/457317904.db2.gz HGRRXGZDTCCAJJ-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@](O)(C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000363431723 457325621 /nfs/dbraw/zinc/32/56/21/457325621.db2.gz XJUGETNCRLDPGL-FXAWDEMLSA-N 2 0 328.456 3.130 20 0 EGADRP Cc1cnc([C@H](C)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447226 457374479 /nfs/dbraw/zinc/37/44/79/457374479.db2.gz JNUVTPRJWSOCAD-QXAKKESOSA-N 2 0 325.456 3.498 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379674384 457418671 /nfs/dbraw/zinc/41/86/71/457418671.db2.gz UGRLTJVDIJIJHU-HOJAQTOUSA-N 2 0 345.531 3.167 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000347470135 457450551 /nfs/dbraw/zinc/45/05/51/457450551.db2.gz AMINWIHCKRWHLG-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000342694509 457461059 /nfs/dbraw/zinc/46/10/59/457461059.db2.gz NXDQHLAJGUNNRO-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP CC[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000425232690 457466603 /nfs/dbraw/zinc/46/66/03/457466603.db2.gz FPICVQIGZVAZJE-FXAWDEMLSA-N 2 0 345.531 3.086 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccsc1 ZINC000347523918 457485253 /nfs/dbraw/zinc/48/52/53/457485253.db2.gz PSANQTQYIQVUGR-SFHVURJKSA-N 2 0 343.496 3.164 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC(F)F ZINC000397296690 457485911 /nfs/dbraw/zinc/48/59/11/457485911.db2.gz BRRFORVBZSSPMQ-SCRDCRAPSA-N 2 0 328.403 3.102 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342742370 457493154 /nfs/dbraw/zinc/49/31/54/457493154.db2.gz XGDMWDCZFHCQMH-QYZOEREBSA-N 2 0 334.504 3.179 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342758516 457503952 /nfs/dbraw/zinc/50/39/52/457503952.db2.gz UICISIKMECLSTE-UWVAXJGDSA-N 2 0 343.515 3.065 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000357409137 457504010 /nfs/dbraw/zinc/50/40/10/457504010.db2.gz HOPOBWRZZVGGJN-VQIMIIECSA-N 2 0 331.504 3.131 20 0 EGADRP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000401067315 457521916 /nfs/dbraw/zinc/52/19/16/457521916.db2.gz JACMRMPCWYSELX-XUVXKRRUSA-N 2 0 327.516 3.019 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000374271675 457559258 /nfs/dbraw/zinc/55/92/58/457559258.db2.gz UOAKPMSTAYLOAO-FPOVZHCZSA-N 2 0 346.515 3.072 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CC(OC(C)(C)C)C2)cc1 ZINC000352724264 457560692 /nfs/dbraw/zinc/56/06/92/457560692.db2.gz PUDIHPNXCVSSKC-UHFFFAOYSA-N 2 0 334.504 3.453 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000370306223 457615206 /nfs/dbraw/zinc/61/52/06/457615206.db2.gz UCXLSFRIRMGLFK-QHAWAJNXSA-N 2 0 330.516 3.346 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000361217223 457649482 /nfs/dbraw/zinc/64/94/82/457649482.db2.gz QGONFORSMLUHGC-QZTJIDSGSA-N 2 0 338.499 3.035 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425904219 457649814 /nfs/dbraw/zinc/64/98/14/457649814.db2.gz XKSJAMQRQSKXJS-MJGOQNOKSA-N 2 0 348.535 3.132 20 0 EGADRP COCC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000425937037 457656202 /nfs/dbraw/zinc/65/62/02/457656202.db2.gz PJFGVSHWACTIKN-HKUYNNGSSA-N 2 0 338.536 3.062 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CCN1C ZINC000370616199 457682485 /nfs/dbraw/zinc/68/24/85/457682485.db2.gz PPBHPBXUSNPDEC-VNQPRFMTSA-N 2 0 341.421 3.356 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2sc(C)nc2C)[C@@H](C)C1 ZINC000361307542 457687482 /nfs/dbraw/zinc/68/74/82/457687482.db2.gz BCHDKKBFWXNJCE-WMLDXEAASA-N 2 0 339.549 3.029 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000364854664 457706553 /nfs/dbraw/zinc/70/65/53/457706553.db2.gz HHNCJQLKMDLWAZ-BEVDRBHNSA-N 2 0 334.479 3.492 20 0 EGADRP COc1cccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000365356311 457747926 /nfs/dbraw/zinc/74/79/26/457747926.db2.gz HAYJPFRPDQMXKP-SFHVURJKSA-N 2 0 325.456 3.092 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000433075517 457750771 /nfs/dbraw/zinc/75/07/71/457750771.db2.gz KYZKKVZFRWTLDS-OAQYLSRUSA-N 2 0 329.532 3.282 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000433114340 457760164 /nfs/dbraw/zinc/76/01/64/457760164.db2.gz FWYVUQOTDDGQEW-IBGZPJMESA-N 2 0 349.906 3.111 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(SC(C)C)cc3)C2)CC1 ZINC000358071990 457767249 /nfs/dbraw/zinc/76/72/49/457767249.db2.gz XXKLNXIIWIVEAW-LJQANCHMSA-N 2 0 347.572 3.399 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2)C1 ZINC000361610001 457804880 /nfs/dbraw/zinc/80/48/80/457804880.db2.gz KZJRGQGBFSVOOX-HNNXBMFYSA-N 2 0 338.455 3.025 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1O ZINC000426362348 457812489 /nfs/dbraw/zinc/81/24/89/457812489.db2.gz QVVAZUASOMAWIH-MRXNPFEDSA-N 2 0 334.504 3.434 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)[NH+](C)C ZINC000426384496 457817898 /nfs/dbraw/zinc/81/78/98/457817898.db2.gz HCAGPOZUZZQQIE-MJGOQNOKSA-N 2 0 345.531 3.352 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(C(=O)OC)c2)CC1 ZINC000411185340 457823983 /nfs/dbraw/zinc/82/39/83/457823983.db2.gz WCJNQCTZXOEFHE-UHFFFAOYSA-N 2 0 338.517 3.479 20 0 EGADRP CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411230558 457836693 /nfs/dbraw/zinc/83/66/93/457836693.db2.gz YWJIGICIIDIXNY-HXUWFJFHSA-N 2 0 343.515 3.163 20 0 EGADRP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375307703 457876429 /nfs/dbraw/zinc/87/64/29/457876429.db2.gz GMSBEVOHAQXEKA-INIZCTEOSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000371346527 457876622 /nfs/dbraw/zinc/87/66/22/457876622.db2.gz YERGUUULOICMTI-KRWDZBQOSA-N 2 0 333.495 3.377 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000358238188 457878963 /nfs/dbraw/zinc/87/89/63/457878963.db2.gz MKKQIGKLVCQSBI-LCLWPZTBSA-N 2 0 345.531 3.475 20 0 EGADRP CC1CC[NH+](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411419782 457882624 /nfs/dbraw/zinc/88/26/24/457882624.db2.gz GSLGSSMWQRAKIT-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CN1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248940 457886348 /nfs/dbraw/zinc/88/63/48/457886348.db2.gz HUZRHYIDZBGLJY-HZPDHXFCSA-N 2 0 329.271 3.101 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@@H]1C ZINC000361836537 457897168 /nfs/dbraw/zinc/89/71/68/457897168.db2.gz GGLKSIZREJXTRE-PKOBYXMFSA-N 2 0 326.488 3.485 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)CC1 ZINC000411477399 457898219 /nfs/dbraw/zinc/89/82/19/457898219.db2.gz QDWNXWMWPZFAKD-IBGZPJMESA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)ccn1 ZINC000358266342 457899024 /nfs/dbraw/zinc/89/90/24/457899024.db2.gz MBEJYBHWIFKNDT-SFHVURJKSA-N 2 0 345.874 3.453 20 0 EGADRP CCc1ccccc1CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444610829 457918679 /nfs/dbraw/zinc/91/86/79/457918679.db2.gz PYXYEUGYYAIHLA-BGYRXZFFSA-N 2 0 343.559 3.282 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000358307191 457923586 /nfs/dbraw/zinc/92/35/86/457923586.db2.gz UVDLSOJKRBOJPA-ZNYHDOEXSA-N 2 0 332.463 3.026 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000411661081 457941612 /nfs/dbraw/zinc/94/16/12/457941612.db2.gz LMOQSYXXVPBYRT-RXVVDRJESA-N 2 0 344.499 3.052 20 0 EGADRP C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CCO2 ZINC000411658182 457942062 /nfs/dbraw/zinc/94/20/62/457942062.db2.gz KPQHSIVACYYSTJ-RXVVDRJESA-N 2 0 344.499 3.052 20 0 EGADRP CC(C)[N@H+](CCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1 ZINC000444811502 457983395 /nfs/dbraw/zinc/98/33/95/457983395.db2.gz IBJZMSZBLOSPRF-LJQANCHMSA-N 2 0 334.504 3.013 20 0 EGADRP CCC[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503869 458043421 /nfs/dbraw/zinc/04/34/21/458043421.db2.gz HDUZJLQHPVDJNI-PKOBYXMFSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000375801370 458070311 /nfs/dbraw/zinc/07/03/11/458070311.db2.gz JMTBVYMHYHUJNG-XVAXZDLZSA-N 2 0 348.531 3.053 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428045771 458071712 /nfs/dbraw/zinc/07/17/12/458071712.db2.gz RGAWKXCLZRYCDU-XJKSGUPXSA-N 2 0 328.378 3.158 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000358554783 458073654 /nfs/dbraw/zinc/07/36/54/458073654.db2.gz KPTPMIRLJYKXCN-QGZVFWFLSA-N 2 0 331.504 3.019 20 0 EGADRP CCc1nccn1[C@H]1CCCN(C(=O)CCn2ccnc2C(C)C)C1 ZINC000375863840 458101057 /nfs/dbraw/zinc/10/10/57/458101057.db2.gz YQWYDESKRPCKMQ-INIZCTEOSA-N 2 0 343.475 3.019 20 0 EGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435372548 458121731 /nfs/dbraw/zinc/12/17/31/458121731.db2.gz RWEQPSVMJHLOIY-IAGOWNOFSA-N 2 0 347.466 3.103 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cc2)cs1 ZINC000435370536 458121953 /nfs/dbraw/zinc/12/19/53/458121953.db2.gz JFKMESWJSMOTRJ-XJKSGUPXSA-N 2 0 331.485 3.200 20 0 EGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435370016 458122946 /nfs/dbraw/zinc/12/29/46/458122946.db2.gz HIDQCQCKOSVZJN-DLBZAZTESA-N 2 0 347.466 3.103 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000435379913 458128996 /nfs/dbraw/zinc/12/89/96/458128996.db2.gz LHFINISVHAXUNX-UHFFFAOYSA-N 2 0 346.393 3.068 20 0 EGADRP COc1cc(CN2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435378202 458129029 /nfs/dbraw/zinc/12/90/29/458129029.db2.gz CUGPYMZIJMDHOV-GOSISDBHSA-N 2 0 326.440 3.055 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000435387407 458132954 /nfs/dbraw/zinc/13/29/54/458132954.db2.gz AGZKEDPMWVIBBB-UHFFFAOYSA-N 2 0 349.276 3.010 20 0 EGADRP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)cs1 ZINC000435391775 458135706 /nfs/dbraw/zinc/13/57/06/458135706.db2.gz UGBXKYHTKQBDDO-IPELMVKDSA-N 2 0 343.496 3.200 20 0 EGADRP COc1ccc(-c2nc(CN(C)[C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000435437311 458146468 /nfs/dbraw/zinc/14/64/68/458146468.db2.gz KDYJOXZATLHXLF-MRXNPFEDSA-N 2 0 331.485 3.393 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435621458 458174084 /nfs/dbraw/zinc/17/40/84/458174084.db2.gz LNEYOUCJVSIQPV-KRWDZBQOSA-N 2 0 325.456 3.242 20 0 EGADRP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO[C@@H]1C1CC1 ZINC000372095509 458191902 /nfs/dbraw/zinc/19/19/02/458191902.db2.gz OSDBYDXNGWQXNZ-FGZHOGPDSA-N 2 0 342.527 3.488 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000435931431 458225888 /nfs/dbraw/zinc/22/58/88/458225888.db2.gz WAMWGDVCGVJZRY-UHFFFAOYSA-N 2 0 335.467 3.267 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3sccc3Cl)CC2)CC1 ZINC000369485697 458234802 /nfs/dbraw/zinc/23/48/02/458234802.db2.gz RUIXKDVNCBZMQP-UHFFFAOYSA-N 2 0 341.952 3.251 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436251768 458276940 /nfs/dbraw/zinc/27/69/40/458276940.db2.gz JZAUCJIFHPLOKY-PCCBWWKXSA-N 2 0 330.516 3.080 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459295563 458318574 /nfs/dbraw/zinc/31/85/74/458318574.db2.gz GJHWOPLTCABRPE-UHFFFAOYSA-N 2 0 332.492 3.004 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)c2cccc(Br)c21 ZINC000447598294 458319684 /nfs/dbraw/zinc/31/96/84/458319684.db2.gz UYFNXQNCFFSDGI-IUODEOHRSA-N 2 0 341.293 3.165 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)[C@@H]1SC ZINC000459424094 458365604 /nfs/dbraw/zinc/36/56/04/458365604.db2.gz KUBGMYNKGXIMCN-PKOFMYQESA-N 2 0 348.556 3.396 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373022384 458378430 /nfs/dbraw/zinc/37/84/30/458378430.db2.gz UFCKJTOTEXVCME-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459474384 458383857 /nfs/dbraw/zinc/38/38/57/458383857.db2.gz XSULJLDZPMCCTI-FQEVSTJZSA-N 2 0 344.886 3.239 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCC3)CCN1C1CC[NH+](C)CC1 ZINC000430078989 458398185 /nfs/dbraw/zinc/39/81/85/458398185.db2.gz UGKJUGLNIBMNTD-SFHVURJKSA-N 2 0 341.543 3.166 20 0 EGADRP C[C@]([NH3+])(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000373177209 458418926 /nfs/dbraw/zinc/41/89/26/458418926.db2.gz DCZNOKGRPINJHD-OAQYLSRUSA-N 2 0 343.515 3.021 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3sccc3CC2(C)C)CC1 ZINC000459586554 458421249 /nfs/dbraw/zinc/42/12/49/458421249.db2.gz UGHZZZIDRQHQQG-UHFFFAOYSA-N 2 0 335.561 3.301 20 0 EGADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ncc(Br)cc1F ZINC000423476720 458438657 /nfs/dbraw/zinc/43/86/57/458438657.db2.gz JLUMASZWHQVSFF-JQWIXIFHSA-N 2 0 330.245 3.166 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423454245 458435272 /nfs/dbraw/zinc/43/52/72/458435272.db2.gz BXWMFLWTUWWSKC-LZWOXQAQSA-N 2 0 330.476 3.139 20 0 EGADRP CCOc1cccc2cc([C@H](C)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)oc21 ZINC000373224354 458435361 /nfs/dbraw/zinc/43/53/61/458435361.db2.gz SLPUSOCSIJJBTQ-UAGQMJEPSA-N 2 0 344.455 3.345 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423464956 458436709 /nfs/dbraw/zinc/43/67/09/458436709.db2.gz WCGAZESZQGGELU-WBMJQRKESA-N 2 0 325.294 3.487 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423477816 458438583 /nfs/dbraw/zinc/43/85/83/458438583.db2.gz KNIQOGHERKEPMV-PZJWPPBQSA-N 2 0 339.483 3.496 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661587 458439180 /nfs/dbraw/zinc/43/91/80/458439180.db2.gz MOSNMQJWHFXITI-GJZGRUSLSA-N 2 0 334.426 3.152 20 0 EGADRP CC(C)[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423486708 458441527 /nfs/dbraw/zinc/44/15/27/458441527.db2.gz BXSFFBMCVASJPC-CVEARBPZSA-N 2 0 330.394 3.371 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423504289 458444791 /nfs/dbraw/zinc/44/47/91/458444791.db2.gz KYBDGFCQCYOHSX-LLVBAIKDSA-N 3 0 341.543 3.394 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ncc(Br)cc1F ZINC000423537233 458454682 /nfs/dbraw/zinc/45/46/82/458454682.db2.gz CGLIASRKPISQQP-SBFPOUOMSA-N 2 0 342.256 3.022 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423544211 458455691 /nfs/dbraw/zinc/45/56/91/458455691.db2.gz WDCXJGNTPQMPLT-KRWDZBQOSA-N 2 0 330.863 3.062 20 0 EGADRP Cc1ccc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)o1 ZINC000423572785 458457816 /nfs/dbraw/zinc/45/78/16/458457816.db2.gz OMTZDNLAFIHAOH-QGZVFWFLSA-N 2 0 327.472 3.232 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000459735806 458462364 /nfs/dbraw/zinc/46/23/64/458462364.db2.gz PSFMKEBBYSOAIP-AEFFLSMTSA-N 2 0 331.504 3.342 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000430571092 458464095 /nfs/dbraw/zinc/46/40/95/458464095.db2.gz LDVOZMYSWTUKNC-GOEBONIOSA-N 2 0 346.450 3.176 20 0 EGADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(SC)cc1OC ZINC000459739179 458464237 /nfs/dbraw/zinc/46/42/37/458464237.db2.gz SGOXBODXQMAUHS-CQSZACIVSA-N 2 0 338.517 3.247 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000459743176 458465607 /nfs/dbraw/zinc/46/56/07/458465607.db2.gz WUEAWKBRINSVCJ-SFHVURJKSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586060 458466195 /nfs/dbraw/zinc/46/61/95/458466195.db2.gz XXDKBEZKEUTCJZ-BQFCYCMXSA-N 2 0 339.483 3.076 20 0 EGADRP CC(C)(C)C[C@@H](NC(=O)CN1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611870 458471636 /nfs/dbraw/zinc/47/16/36/458471636.db2.gz PXKYFQADMAFIHO-MAUKXSAKSA-N 2 0 349.494 3.090 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423783110 458482351 /nfs/dbraw/zinc/48/23/51/458482351.db2.gz ZXVCTYVUDAEUHW-QUCCMNQESA-N 2 0 329.488 3.171 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1 ZINC000423809406 458488461 /nfs/dbraw/zinc/48/84/61/458488461.db2.gz KEFNMLFNLSQYCL-SFHVURJKSA-N 2 0 334.423 3.398 20 0 EGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430937516 458507968 /nfs/dbraw/zinc/50/79/68/458507968.db2.gz CJHVRQGLOKPXPW-NWDGAFQWSA-N 2 0 343.393 3.092 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430946687 458508352 /nfs/dbraw/zinc/50/83/52/458508352.db2.gz BMTPFQWMLZQQQJ-HUUCEWRRSA-N 2 0 331.504 3.198 20 0 EGADRP C[C@@H]1CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430944911 458508745 /nfs/dbraw/zinc/50/87/45/458508745.db2.gz OPKHRKBHWGMGJI-ATZDWAIDSA-N 2 0 348.450 3.495 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021433 458517330 /nfs/dbraw/zinc/51/73/30/458517330.db2.gz JHBJWTFUKGRUMC-INIZCTEOSA-N 2 0 337.467 3.242 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC4(CC[NH2+]C4)CC3)n2)ccc1F ZINC000431034203 458519341 /nfs/dbraw/zinc/51/93/41/458519341.db2.gz NCPTYQTZETZHFP-CQSZACIVSA-N 2 0 344.434 3.321 20 0 EGADRP CCCc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000468750356 458533399 /nfs/dbraw/zinc/53/33/99/458533399.db2.gz YNAPNWMPOCQENG-MRXNPFEDSA-N 2 0 327.472 3.080 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000469285107 458564591 /nfs/dbraw/zinc/56/45/91/458564591.db2.gz SKOCHUXAVUCYKD-RTBURBONSA-N 2 0 330.516 3.440 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424139865 458567722 /nfs/dbraw/zinc/56/77/22/458567722.db2.gz FPCQUOORZKBJKT-RTBURBONSA-N 2 0 337.552 3.158 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424143450 458569566 /nfs/dbraw/zinc/56/95/66/458569566.db2.gz JTZWPRPKTBFYTQ-RBUKOAKNSA-N 2 0 337.552 3.255 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)CC[C@H]21 ZINC000424171848 458576503 /nfs/dbraw/zinc/57/65/03/458576503.db2.gz LKLIKJSRMOUCGH-CEXWTWQISA-N 2 0 335.536 3.007 20 0 EGADRP CC1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431597599 458594642 /nfs/dbraw/zinc/59/46/42/458594642.db2.gz UWQUDGAJZKGATF-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438553600 458596542 /nfs/dbraw/zinc/59/65/42/458596542.db2.gz LPJGZZUJPCTTBG-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCCc1csc(CN[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)n1 ZINC000494045686 458619227 /nfs/dbraw/zinc/61/92/27/458619227.db2.gz BULODYJPKQHJOF-NVXWUHKLSA-N 2 0 339.549 3.322 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(Cl)c1 ZINC000424348663 458623371 /nfs/dbraw/zinc/62/33/71/458623371.db2.gz MAZIRRZKFNDMRL-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(O)c1Br)CC[NH2+]CC2 ZINC000424376213 458628902 /nfs/dbraw/zinc/62/89/02/458628902.db2.gz KMCPLKDZDLDLIF-LBPRGKRZSA-N 2 0 339.277 3.119 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424380972 458630495 /nfs/dbraw/zinc/63/04/95/458630495.db2.gz QHTCSDOMNWZPHS-QGZVFWFLSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3ccc(Cl)cc3n1C)CC[NH2+]CC2 ZINC000424386608 458631563 /nfs/dbraw/zinc/63/15/63/458631563.db2.gz XQOVGRYUABJWEH-ZDUSSCGKSA-N 2 0 332.879 3.191 20 0 EGADRP COc1ccc2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)sc2c1 ZINC000424388579 458632106 /nfs/dbraw/zinc/63/21/06/458632106.db2.gz ZEXVLPUPZWJKRO-ZDUSSCGKSA-N 2 0 331.485 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430804 458642507 /nfs/dbraw/zinc/64/25/07/458642507.db2.gz DLOOEUHCHGFFTM-GOSISDBHSA-N 2 0 332.492 3.230 20 0 EGADRP COCC(C)(C)C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000494304668 458656436 /nfs/dbraw/zinc/65/64/36/458656436.db2.gz WDVFDXYMTAWGHB-CALCHBBNSA-N 2 0 334.504 3.058 20 0 EGADRP CO[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000462816058 458657316 /nfs/dbraw/zinc/65/73/16/458657316.db2.gz FPKHRBAIICRYGI-CWJKEVGVSA-N 2 0 328.500 3.302 20 0 EGADRP [NH3+]CC1CCC([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC1 ZINC000530206517 458716279 /nfs/dbraw/zinc/71/62/79/458716279.db2.gz AGAVRTNBQILLIL-UHFFFAOYSA-N 2 0 346.519 3.499 20 0 EGADRP C[C@@H]([C@H]1CCC[NH2+]C1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530210307 458716839 /nfs/dbraw/zinc/71/68/39/458716839.db2.gz JFCOONBPCXBEKU-YJBOKZPZSA-N 2 0 346.519 3.370 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494655126 458721228 /nfs/dbraw/zinc/72/12/28/458721228.db2.gz ZMNWATGAOYDLFW-HXUWFJFHSA-N 2 0 343.515 3.067 20 0 EGADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000471780053 458728249 /nfs/dbraw/zinc/72/82/49/458728249.db2.gz KJOQINBWKUOMFA-XUVXKRRUSA-N 2 0 330.516 3.428 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000432419116 458737400 /nfs/dbraw/zinc/73/74/00/458737400.db2.gz ZCYBTOMJHNLPHB-YWHRJQNKSA-N 2 0 328.500 3.038 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000472066500 458764655 /nfs/dbraw/zinc/76/46/55/458764655.db2.gz UUFDDNWXFLUNMK-SFHVURJKSA-N 2 0 340.556 3.014 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000547832146 458802331 /nfs/dbraw/zinc/80/23/31/458802331.db2.gz LHZDHOJPCWFUOR-QFIPXVFZSA-N 2 0 341.543 3.361 20 0 EGADRP COc1cccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000530939924 458848370 /nfs/dbraw/zinc/84/83/70/458848370.db2.gz KBFFUXOOBIPJJD-QZTJIDSGSA-N 2 0 346.515 3.407 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000519096444 458915543 /nfs/dbraw/zinc/91/55/43/458915543.db2.gz FZMVYQADSBAADL-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC12CCCCC2)c1ccccc1 ZINC000475138532 458923166 /nfs/dbraw/zinc/92/31/66/458923166.db2.gz MSIKIXJBFLMEMG-LJQANCHMSA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495711237 458927710 /nfs/dbraw/zinc/92/77/10/458927710.db2.gz JFEZPZQCYBDEGN-IRXDYDNUSA-N 2 0 339.524 3.050 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000576863218 458937431 /nfs/dbraw/zinc/93/74/31/458937431.db2.gz IERHKDZDQBZKHV-WIYYLYMNSA-N 2 0 348.531 3.042 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000576942143 458950980 /nfs/dbraw/zinc/95/09/80/458950980.db2.gz JYWIXKPIWRIDDA-KRWDZBQOSA-N 2 0 331.504 3.424 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000495849880 458975773 /nfs/dbraw/zinc/97/57/73/458975773.db2.gz LOWAQYSHWXMPQR-DOTOQJQBSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000467867374 458990966 /nfs/dbraw/zinc/99/09/66/458990966.db2.gz OIWGSMYQGSFTLX-AEFFLSMTSA-N 2 0 345.531 3.222 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC000577528241 459047802 /nfs/dbraw/zinc/04/78/02/459047802.db2.gz GTIBVOBMJOUVMT-IXDOHACOSA-N 2 0 339.886 3.303 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C2CCC2)cc1 ZINC000442875610 459050387 /nfs/dbraw/zinc/05/03/87/459050387.db2.gz PHIBMGKQAZQILD-HXUWFJFHSA-N 2 0 329.532 3.452 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1(C)C ZINC000442881333 459052190 /nfs/dbraw/zinc/05/21/90/459052190.db2.gz ZFLASCDSXBFAMS-PZJWPPBQSA-N 2 0 329.532 3.112 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1F ZINC000443057378 459078701 /nfs/dbraw/zinc/07/87/01/459078701.db2.gz GNMNCKLMIHGMKM-KBPBESRZSA-N 2 0 332.423 3.306 20 0 EGADRP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443075898 459085984 /nfs/dbraw/zinc/08/59/84/459085984.db2.gz RTCFNQNSTBHYSB-MRXNPFEDSA-N 2 0 349.494 3.014 20 0 EGADRP CCC(CC)[N@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000558174476 459137922 /nfs/dbraw/zinc/13/79/22/459137922.db2.gz PZHUKCVVKKTEPM-UHFFFAOYSA-N 2 0 345.531 3.409 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000567786531 459167750 /nfs/dbraw/zinc/16/77/50/459167750.db2.gz AZYDQXDDXYIBSX-RTBURBONSA-N 2 0 335.536 3.009 20 0 EGADRP COc1ccc(Br)c(CNCc2ccc(C[NH3+])cc2)c1 ZINC000567871035 459181901 /nfs/dbraw/zinc/18/19/01/459181901.db2.gz KMBJFBJMVOYNFQ-UHFFFAOYSA-N 2 0 335.245 3.206 20 0 EGADRP COC[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)C(C)C ZINC000480229546 459188948 /nfs/dbraw/zinc/18/89/48/459188948.db2.gz PNLIKEIQDFUQJB-NRFANRHFSA-N 2 0 347.547 3.158 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480725608 459215306 /nfs/dbraw/zinc/21/53/06/459215306.db2.gz YWQDGEBGDSYKOY-HCXYKTFWSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480737535 459217211 /nfs/dbraw/zinc/21/72/11/459217211.db2.gz OXDSZSIGPRZMBR-CEXWTWQISA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786385 459218935 /nfs/dbraw/zinc/21/89/35/459218935.db2.gz BEEVGKGSKPRTDE-QGZVFWFLSA-N 2 0 331.504 3.374 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1)c1ccccc1 ZINC000568247920 459256941 /nfs/dbraw/zinc/25/69/41/459256941.db2.gz BBOCMRCWSWMGBG-IHPCNDPISA-N 2 0 343.515 3.031 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559683227 459272381 /nfs/dbraw/zinc/27/23/81/459272381.db2.gz RPJMVBFCEQBPQE-IYBDPMFKSA-N 2 0 349.494 3.420 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000582098039 459306084 /nfs/dbraw/zinc/30/60/84/459306084.db2.gz VWNLYJCTWCPXME-UHFFFAOYSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000560251786 459314692 /nfs/dbraw/zinc/31/46/92/459314692.db2.gz SYGRVRBTWOUWSY-YADHBBJMSA-N 2 0 343.559 3.178 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC000483174782 459347711 /nfs/dbraw/zinc/34/77/11/459347711.db2.gz KROHNJBYQKSVFP-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000541583018 459469184 /nfs/dbraw/zinc/46/91/84/459469184.db2.gz PPJAEGIDOBSCGL-SJORKVTESA-N 2 0 325.541 3.026 20 0 EGADRP CN(C[C@H](O)C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)C1CC1 ZINC000569652023 459486979 /nfs/dbraw/zinc/48/69/79/459486979.db2.gz NKBHPFREBWYGSL-FQEVSTJZSA-N 2 0 334.479 3.416 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000583138769 459489361 /nfs/dbraw/zinc/48/93/61/459489361.db2.gz IPZFDUCBCWEREG-NRFANRHFSA-N 2 0 348.531 3.184 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000583579248 459562073 /nfs/dbraw/zinc/56/20/73/459562073.db2.gz FBQLKZUNPYKDEH-MRXNPFEDSA-N 2 0 329.488 3.488 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000542504297 459563430 /nfs/dbraw/zinc/56/34/30/459563430.db2.gz JSAFYODOBQETSI-DLBZAZTESA-N 2 0 345.531 3.495 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000583791322 459596827 /nfs/dbraw/zinc/59/68/27/459596827.db2.gz FEIOGYLQPFFXGN-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP Cc1cccc(OC[C@H](O)C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000573084444 459623397 /nfs/dbraw/zinc/62/33/97/459623397.db2.gz VVPGSMDHWMIWLG-HSALFYBXSA-N 2 0 348.531 3.082 20 0 EGADRP O=C(CC[NH2+][C@@H]1CCN(C2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000584167890 459670377 /nfs/dbraw/zinc/67/03/77/459670377.db2.gz JYDBUDGFWSTQGF-MRXNPFEDSA-N 2 0 335.879 3.275 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000584226936 459685645 /nfs/dbraw/zinc/68/56/45/459685645.db2.gz XKCXUJLVOYQVPF-UTKZUKDTSA-N 2 0 326.484 3.065 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527717793 459712273 /nfs/dbraw/zinc/71/22/73/459712273.db2.gz CFZQBJVNDHQNIP-UHFFFAOYSA-N 2 0 346.700 3.460 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2CC)c1 ZINC000563090421 459714410 /nfs/dbraw/zinc/71/44/10/459714410.db2.gz NVFVHRUAHIDILF-UXHICEINSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3Cc4ccccc4C3)CC2)C[C@@H](C)O1 ZINC000573769369 459730486 /nfs/dbraw/zinc/73/04/86/459730486.db2.gz QPISAOCNHBBAQO-QZTJIDSGSA-N 2 0 342.527 3.223 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527858889 459760894 /nfs/dbraw/zinc/76/08/94/459760894.db2.gz MLTRXMMWPXZOKY-PWIZWCRZSA-N 2 0 328.500 3.210 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000527858303 459761012 /nfs/dbraw/zinc/76/10/12/459761012.db2.gz JMHZOZHUCMJOQG-OAQYLSRUSA-N 2 0 331.548 3.261 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1C ZINC000574100419 459779621 /nfs/dbraw/zinc/77/96/21/459779621.db2.gz YUULTVJXWWRACD-INIZCTEOSA-N 2 0 326.488 3.393 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000566005188 459791452 /nfs/dbraw/zinc/79/14/52/459791452.db2.gz WLWXPYMJGAQRFM-QUCCMNQESA-N 2 0 348.531 3.145 20 0 EGADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000528004674 459793418 /nfs/dbraw/zinc/79/34/18/459793418.db2.gz RQLDXRNTKZEPAA-HYCSIWNGSA-N 2 0 328.500 3.299 20 0 EGADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000574280912 459801762 /nfs/dbraw/zinc/80/17/62/459801762.db2.gz NMIBFPNIQZNCQP-NJDAHSKKSA-N 2 0 328.500 3.136 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000574745831 459864810 /nfs/dbraw/zinc/86/48/10/459864810.db2.gz SWXDXDMHWMVSFM-LJQANCHMSA-N 2 0 335.923 3.335 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC000602486614 459963360 /nfs/dbraw/zinc/96/33/60/459963360.db2.gz VVNNKUSGTUTDNE-YPAWHYETSA-N 2 0 341.543 3.281 20 0 EGADRP CC1CCN(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000588772860 459981093 /nfs/dbraw/zinc/98/10/93/459981093.db2.gz CAYGOEVOJYSAMB-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCOC(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[nH]1 ZINC000602590020 460011905 /nfs/dbraw/zinc/01/19/05/460011905.db2.gz BNMPSORWKXFIGA-UHFFFAOYSA-N 2 0 343.471 3.321 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641923 460119975 /nfs/dbraw/zinc/11/99/75/460119975.db2.gz VMDJURAAIJLZLO-IRXDYDNUSA-N 2 0 328.504 3.421 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000576458196 460144999 /nfs/dbraw/zinc/14/49/99/460144999.db2.gz PHWHRROEKSGMLY-HNNXBMFYSA-N 2 0 339.277 3.252 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000602869166 460166596 /nfs/dbraw/zinc/16/65/96/460166596.db2.gz JNJJDMYPVCMUKR-LJQANCHMSA-N 2 0 344.547 3.352 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599310368 460224380 /nfs/dbraw/zinc/22/43/80/460224380.db2.gz WKUZYXROTLSRAF-PXNSSMCTSA-N 2 0 343.515 3.019 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC1CCSCC1 ZINC000603516840 460314767 /nfs/dbraw/zinc/31/47/67/460314767.db2.gz LIWGFIXNOXLUJL-UHFFFAOYSA-N 2 0 334.529 3.394 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N1CCCCCC1 ZINC000626062452 460358109 /nfs/dbraw/zinc/35/81/09/460358109.db2.gz SOGHXRIOMXIUBK-GOSISDBHSA-N 2 0 345.531 3.361 20 0 EGADRP CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000626159522 460404849 /nfs/dbraw/zinc/40/48/49/460404849.db2.gz OPTIWBANSBZDKA-OAQYLSRUSA-N 2 0 343.515 3.163 20 0 EGADRP C[N@H+](CCCO)C1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000604389051 460418589 /nfs/dbraw/zinc/41/85/89/460418589.db2.gz PJRVBKSHDCOZCW-UHFFFAOYSA-N 2 0 334.548 3.372 20 0 EGADRP C[NH+](C)Cc1cccc(-c2cnc3c(cnn3C3CC[NH+](C)CC3)c2)c1 ZINC000623168840 460426939 /nfs/dbraw/zinc/42/69/39/460426939.db2.gz SYLYDZWDGOTING-UHFFFAOYSA-N 2 0 349.482 3.427 20 0 EGADRP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631600992 460467748 /nfs/dbraw/zinc/46/77/48/460467748.db2.gz VBSMDHZVAZUIFB-KNTRFNDTSA-N 2 0 341.499 3.154 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1F ZINC000634678037 460471830 /nfs/dbraw/zinc/47/18/30/460471830.db2.gz GTBSGPSECCMBBT-LJQANCHMSA-N 2 0 339.474 3.279 20 0 EGADRP CC[NH+]1CCC(N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC000631660577 460495393 /nfs/dbraw/zinc/49/53/93/460495393.db2.gz SKBPIPOKCJBJLK-KRWDZBQOSA-N 2 0 343.437 3.382 20 0 EGADRP CC[C@](C)(NCc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000606912917 460760481 /nfs/dbraw/zinc/76/04/81/460760481.db2.gz ORYKGBZVKJZXSI-SFHVURJKSA-N 2 0 333.501 3.499 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623889521 460764213 /nfs/dbraw/zinc/76/42/13/460764213.db2.gz PAGPDQVYOSFHMO-CHWSQXEVSA-N 2 0 347.400 3.131 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543454 460802569 /nfs/dbraw/zinc/80/25/69/460802569.db2.gz BTRQKXJFRBTEFA-IMJJTQAJSA-N 2 0 325.859 3.307 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629655890 460851602 /nfs/dbraw/zinc/85/16/02/460851602.db2.gz LPQIWJDSARCFDM-XPKDYRNWSA-N 2 0 330.394 3.258 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624121194 460871573 /nfs/dbraw/zinc/87/15/73/460871573.db2.gz PTMLYGPTDNPEBA-LSDHHAIUSA-N 2 0 329.488 3.299 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)c2ccccc21 ZINC000624188020 460902609 /nfs/dbraw/zinc/90/26/09/460902609.db2.gz UGJJFBIXNBSPFT-MJGOQNOKSA-N 2 0 327.472 3.091 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)ccc21 ZINC000632953666 460905428 /nfs/dbraw/zinc/90/54/28/460905428.db2.gz SXTMKSJOLMROHV-WMZOPIPTSA-N 2 0 344.503 3.135 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)C1CC[NH+](C)CC1 ZINC000624224866 460918913 /nfs/dbraw/zinc/91/89/13/460918913.db2.gz CCPSVQMAUPAYHN-CZUORRHYSA-N 2 0 339.886 3.378 20 0 EGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCC(C)C)CC2)cc1 ZINC000613502173 460972518 /nfs/dbraw/zinc/97/25/18/460972518.db2.gz JIADLLZRXZUMHO-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CCOc1cncc(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000621338697 460995445 /nfs/dbraw/zinc/99/54/45/460995445.db2.gz IPPJLFSSYIIHHK-QGZVFWFLSA-N 2 0 327.472 3.481 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000624564462 461054893 /nfs/dbraw/zinc/05/48/93/461054893.db2.gz APSQNJDEWWXEBD-LJQANCHMSA-N 2 0 331.504 3.131 20 0 EGADRP c1cc2cc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)ccc2[nH]1 ZINC000628235824 461057679 /nfs/dbraw/zinc/05/76/79/461057679.db2.gz CWYYPCBAPDJDEG-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652336784 461138781 /nfs/dbraw/zinc/13/87/81/461138781.db2.gz AHYYCJHPXZOAKF-LJQANCHMSA-N 2 0 349.478 3.183 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000652349165 461142239 /nfs/dbraw/zinc/14/22/39/461142239.db2.gz DAKAITUSFFSBJT-LMMKCTJWSA-N 2 0 341.455 3.060 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000662246195 461142481 /nfs/dbraw/zinc/14/24/81/461142481.db2.gz RIKLSGOARUQVMH-UHFFFAOYSA-N 2 0 329.444 3.172 20 0 EGADRP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350122 461144972 /nfs/dbraw/zinc/14/49/72/461144972.db2.gz HBDPLKWDKCBXIL-OWQGQXMQSA-N 2 0 338.879 3.067 20 0 EGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@@H]1CC[NH3+] ZINC000652353921 461149246 /nfs/dbraw/zinc/14/92/46/461149246.db2.gz HBMWXUGLIVRGCM-MLGOLLRUSA-N 2 0 341.858 3.257 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362750 461154621 /nfs/dbraw/zinc/15/46/21/461154621.db2.gz OCSJUWRBTFXXAB-OIISXLGYSA-N 2 0 347.484 3.264 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000662282166 461165143 /nfs/dbraw/zinc/16/51/43/461165143.db2.gz SVKTZIHWVIZBCL-WBVHZDCISA-N 2 0 338.879 3.067 20 0 EGADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000646278525 461167290 /nfs/dbraw/zinc/16/72/90/461167290.db2.gz CEMGXXCGGLFDGB-IBGZPJMESA-N 2 0 347.503 3.253 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1 ZINC000662374020 461219368 /nfs/dbraw/zinc/21/93/68/461219368.db2.gz FIYOQYNGBMRZGK-SFHVURJKSA-N 2 0 337.467 3.379 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)[NH+]2CCCC2)cc1 ZINC000662425377 461239258 /nfs/dbraw/zinc/23/92/58/461239258.db2.gz GTZGBHHYYWSAEQ-OAQYLSRUSA-N 2 0 349.478 3.165 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000659247461 461247226 /nfs/dbraw/zinc/24/72/26/461247226.db2.gz XQWVNYBGNROGBQ-PBEJRMEISA-N 2 0 349.478 3.173 20 0 EGADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000662701738 461351890 /nfs/dbraw/zinc/35/18/90/461351890.db2.gz RGUFGOCRFXZZFX-LJQANCHMSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)C[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000659469088 461359108 /nfs/dbraw/zinc/35/91/08/461359108.db2.gz KFXSITYXTFBTQZ-SJLPKXTDSA-N 2 0 348.535 3.131 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655708902 461378513 /nfs/dbraw/zinc/37/85/13/461378513.db2.gz PJMJPYBSZGGYHH-PXNSSMCTSA-N 2 0 329.532 3.154 20 0 EGADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000641802649 461379963 /nfs/dbraw/zinc/37/99/63/461379963.db2.gz AIGOIHUYPREHAS-OALUTQOASA-N 2 0 337.467 3.398 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(OC(F)F)c1 ZINC000638364288 461387450 /nfs/dbraw/zinc/38/74/50/461387450.db2.gz FOHKZAFOYNYFBZ-ZDUSSCGKSA-N 2 0 342.430 3.174 20 0 EGADRP CCn1ncnc1CNCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000638374136 461394498 /nfs/dbraw/zinc/39/44/98/461394498.db2.gz NKVJQWWVJZVODS-CALCHBBNSA-N 2 0 341.503 3.066 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc4ccncc4s3)c2)CC1 ZINC000630960836 461443176 /nfs/dbraw/zinc/44/31/76/461443176.db2.gz IZYCZGUSDZCFGN-UHFFFAOYSA-N 2 0 339.468 3.055 20 0 EGADRP CC(C)Cc1ncc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000630960413 461443245 /nfs/dbraw/zinc/44/32/45/461443245.db2.gz DWPAKSCYDRTWAN-UHFFFAOYSA-N 2 0 345.516 3.101 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088922 461450431 /nfs/dbraw/zinc/45/04/31/461450431.db2.gz ZUAOIDVFMMGTAD-FUHWJXTLSA-N 2 0 349.950 3.061 20 0 EGADRP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000666090693 461451549 /nfs/dbraw/zinc/45/15/49/461451549.db2.gz FAYLZSLWCCGGMW-YJBOKZPZSA-N 2 0 348.918 3.288 20 0 EGADRP C[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000638574774 461491594 /nfs/dbraw/zinc/49/15/94/461491594.db2.gz HRGQNXRSOFCDKC-MMOPVJDHSA-N 2 0 327.516 3.427 20 0 EGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653114690 461508532 /nfs/dbraw/zinc/50/85/32/461508532.db2.gz SRMDVDPTQKDRTF-SFHVURJKSA-N 2 0 343.515 3.069 20 0 EGADRP C[C@@]1(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000638665360 461520479 /nfs/dbraw/zinc/52/04/79/461520479.db2.gz CNIWKKYNBHDYHH-YYWHXJBOSA-N 2 0 328.500 3.271 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC([C@H]4CCC[NH2+]4)CC3)c2cc1OC ZINC000663236002 461521609 /nfs/dbraw/zinc/52/16/09/461521609.db2.gz CTMIOOOJPWENIA-MRXNPFEDSA-N 2 0 341.455 3.220 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000638706547 461544451 /nfs/dbraw/zinc/54/44/51/461544451.db2.gz GKLWBBRHDGOQPV-XLBJILASSA-N 2 0 327.516 3.427 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000631113773 461562123 /nfs/dbraw/zinc/56/21/23/461562123.db2.gz LKIMFFNOPWNIFO-YJJPMGAVSA-N 2 0 329.532 3.241 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653252947 461591495 /nfs/dbraw/zinc/59/14/95/461591495.db2.gz AGAGFGWHCXVLNB-MAUKXSAKSA-N 2 0 347.528 3.331 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000647282626 461608455 /nfs/dbraw/zinc/60/84/55/461608455.db2.gz IOCIJXVZYMNJMR-OAQYLSRUSA-N 2 0 347.547 3.400 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000647282625 461608549 /nfs/dbraw/zinc/60/85/49/461608549.db2.gz IOCIJXVZYMNJMR-NRFANRHFSA-N 2 0 347.547 3.400 20 0 EGADRP CC(C)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000660156206 461612614 /nfs/dbraw/zinc/61/26/14/461612614.db2.gz QIIYXDDWEISSLG-GHTZIAJQSA-N 2 0 329.532 3.268 20 0 EGADRP CCNC(=O)[C@H](C)NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638846865 461614640 /nfs/dbraw/zinc/61/46/40/461614640.db2.gz FQWNDUGMKHRISY-LAUBAEHRSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1Br ZINC000656197337 461642394 /nfs/dbraw/zinc/64/23/94/461642394.db2.gz ZXOHZDXWQPAZRC-AGIUHOORSA-N 2 0 327.266 3.076 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C(C)(C)C ZINC000666471336 461648830 /nfs/dbraw/zinc/64/88/30/461648830.db2.gz SEYLGZGQWGIWEV-INIZCTEOSA-N 2 0 345.531 3.156 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663465383 461654823 /nfs/dbraw/zinc/65/48/23/461654823.db2.gz JQQHWEZZCOHUEJ-APWZRJJASA-N 2 0 344.499 3.403 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663465387 461655341 /nfs/dbraw/zinc/65/53/41/461655341.db2.gz JQQHWEZZCOHUEJ-QFBILLFUSA-N 2 0 344.499 3.403 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000663469603 461659018 /nfs/dbraw/zinc/65/90/18/461659018.db2.gz QYKDINSKPNDGQS-SJLPKXTDSA-N 2 0 339.487 3.040 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1)C(C)C ZINC000638967977 461660813 /nfs/dbraw/zinc/66/08/13/461660813.db2.gz MTCKDBJHZCEFJG-RUCARUNLSA-N 2 0 331.504 3.164 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](OC)C2CCOCC2)CC1 ZINC000638977803 461666568 /nfs/dbraw/zinc/66/65/68/461666568.db2.gz PPJNNZMLZVUHJQ-HXUWFJFHSA-N 2 0 340.552 3.262 20 0 EGADRP CCC[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638987707 461669257 /nfs/dbraw/zinc/66/92/57/461669257.db2.gz WYLOLOHCXLIJJL-GOSISDBHSA-N 2 0 338.455 3.014 20 0 EGADRP CN(c1ccccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000631260302 461680012 /nfs/dbraw/zinc/68/00/12/461680012.db2.gz LOVCXPTXVZEZOD-HZPDHXFCSA-N 2 0 341.421 3.257 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000643344544 461697840 /nfs/dbraw/zinc/69/78/40/461697840.db2.gz OYYVXPPPZPQATG-AWEZNQCLSA-N 2 0 341.902 3.026 20 0 EGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1F ZINC000643536348 461757435 /nfs/dbraw/zinc/75/74/35/461757435.db2.gz TUUNAYZLZBTXPH-HZMBPMFUSA-N 2 0 327.241 3.381 20 0 EGADRP c1cc2c(cc[nH+]c2N2CCC([NH2+]CCOc3ccccc3)CC2)[nH]1 ZINC000663639629 461731079 /nfs/dbraw/zinc/73/10/79/461731079.db2.gz HXQIIBUJZVEMOC-UHFFFAOYSA-N 2 0 336.439 3.200 20 0 EGADRP FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643455392 461731819 /nfs/dbraw/zinc/73/18/19/461731819.db2.gz BTZIFAGEQBXMJM-IUOOZAAYSA-N 2 0 339.405 3.157 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000643462206 461734981 /nfs/dbraw/zinc/73/49/81/461734981.db2.gz FXUJIPAEVJZLGR-JXFKEZNVSA-N 2 0 325.456 3.138 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000643462840 461735590 /nfs/dbraw/zinc/73/55/90/461735590.db2.gz MRWZJZYBFJVDMM-CIRFHOKZSA-N 2 0 335.442 3.054 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)c2ccccc21 ZINC000643462848 461735711 /nfs/dbraw/zinc/73/57/11/461735711.db2.gz MZCLSKNQEFBMOV-MORSLUCNSA-N 2 0 329.394 3.278 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC[C@H]1[NH3+] ZINC000647498775 461738498 /nfs/dbraw/zinc/73/84/98/461738498.db2.gz QGTTYZLHWYXCSD-TZIWHRDSSA-N 2 0 340.515 3.416 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647498772 461738815 /nfs/dbraw/zinc/73/88/15/461738815.db2.gz QGTTYZLHWYXCSD-CTNGQTDRSA-N 2 0 340.515 3.416 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000647503829 461739121 /nfs/dbraw/zinc/73/91/21/461739121.db2.gz MZICTFPXDOBIQW-UHFFFAOYSA-N 2 0 346.906 3.406 20 0 EGADRP [NH3+]CC1CCC([NH2+]CCCc2cccc(Br)c2)CC1 ZINC000643469395 461739453 /nfs/dbraw/zinc/73/94/53/461739453.db2.gz RMAUOGIJLVFZEB-UHFFFAOYSA-N 2 0 325.294 3.489 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000639128770 461745340 /nfs/dbraw/zinc/74/53/40/461745340.db2.gz ZVUMDINVLMGYDD-LPHOPBHVSA-N 2 0 334.479 3.287 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CCCC[NH2+]4)[C@H]3C2)cc1 ZINC000643501648 461746569 /nfs/dbraw/zinc/74/65/69/461746569.db2.gz NCLYCIJPJNEXCO-TUFLPTIASA-N 2 0 327.516 3.019 20 0 EGADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000666664796 461747246 /nfs/dbraw/zinc/74/72/46/461747246.db2.gz MSFJBSUMXJLFRN-RDJZCZTQSA-N 2 0 345.491 3.053 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523425 461752046 /nfs/dbraw/zinc/75/20/46/461752046.db2.gz CTTWJLJIYOLLNJ-CYBMUJFWSA-N 2 0 343.858 3.450 20 0 EGADRP c1cc(CCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647542743 461753906 /nfs/dbraw/zinc/75/39/06/461753906.db2.gz BHUBUWZHXWDSFW-VQTJNVASSA-N 2 0 328.500 3.266 20 0 EGADRP COc1nc2ccccc2cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647542055 461754845 /nfs/dbraw/zinc/75/48/45/461754845.db2.gz MGDJYPQZLUTWHZ-KRWDZBQOSA-N 2 0 325.456 3.065 20 0 EGADRP FC(F)(F)COc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647542202 461755316 /nfs/dbraw/zinc/75/53/16/461755316.db2.gz XNEIQHVNSWNCMD-MRXNPFEDSA-N 2 0 342.405 3.449 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535776 461756165 /nfs/dbraw/zinc/75/61/65/461756165.db2.gz JAYMYJHMOGDCPT-WOJBJXKFSA-N 2 0 337.467 3.106 20 0 EGADRP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643535444 461757590 /nfs/dbraw/zinc/75/75/90/461757590.db2.gz DPEPAOGNTFAJGF-XJKSGUPXSA-N 2 0 335.289 3.038 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546153 461759433 /nfs/dbraw/zinc/75/94/33/461759433.db2.gz JQPAKSMPXGQJNY-YZGWKJHDSA-N 2 0 327.516 3.161 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000647551221 461762886 /nfs/dbraw/zinc/76/28/86/461762886.db2.gz AXIBPUIYLYDERZ-MPKXVKKWSA-N 2 0 327.241 3.066 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OCc1ccccc1 ZINC000647552152 461765030 /nfs/dbraw/zinc/76/50/30/461765030.db2.gz IPMKKLIXWFLGDT-HOTGVXAUSA-N 2 0 328.456 3.490 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@@H]3C[NH+](C)CC[C@H]31)CC2 ZINC000639177246 461783686 /nfs/dbraw/zinc/78/36/86/461783686.db2.gz BXEKWRWSXRUJMH-KBAYOESNSA-N 2 0 330.472 3.107 20 0 EGADRP Cc1ccc(CC[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000639184966 461791780 /nfs/dbraw/zinc/79/17/80/461791780.db2.gz BRDJWSCEWFPPML-UHFFFAOYSA-N 2 0 327.472 3.053 20 0 EGADRP CC[C@@H]1C[NH+](CC2(C[N@@H+]3CCCO[C@@H](CC)C3)CCC2)CCCO1 ZINC000660469886 461798853 /nfs/dbraw/zinc/79/88/53/461798853.db2.gz RFJHSZUWQNNLQD-KDURUIRLSA-N 2 0 338.536 3.159 20 0 EGADRP Cc1ccc(C2(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)CC2)c(C)c1 ZINC000639216043 461808770 /nfs/dbraw/zinc/80/87/70/461808770.db2.gz BEYUMRCYHOMYHV-UHFFFAOYSA-N 2 0 330.516 3.160 20 0 EGADRP C[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656617981 461808903 /nfs/dbraw/zinc/80/89/03/461808903.db2.gz WYAJXOPGZOZTPI-OAQYLSRUSA-N 2 0 327.516 3.164 20 0 EGADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)nc1 ZINC000647783860 461833555 /nfs/dbraw/zinc/83/35/55/461833555.db2.gz DDARXBNCGMVEMC-CEXWTWQISA-N 2 0 337.467 3.138 20 0 EGADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786676 461835075 /nfs/dbraw/zinc/83/50/75/461835075.db2.gz VRWXRPKKWVDFEC-KBUPBQIOSA-N 2 0 342.405 3.450 20 0 EGADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647788292 461835361 /nfs/dbraw/zinc/83/53/61/461835361.db2.gz HBVWOXIKBNGJDP-CEWLAPEOSA-N 3 0 327.516 3.150 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647788918 461835481 /nfs/dbraw/zinc/83/54/81/461835481.db2.gz VJZQFWNZZSYXDX-BHDDXSALSA-N 3 0 341.543 3.396 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647791887 461836914 /nfs/dbraw/zinc/83/69/14/461836914.db2.gz PHIFQULLUPENGT-MISYRCLQSA-N 2 0 338.499 3.091 20 0 EGADRP c1c(C[NH2+][C@@H]2CCC[NH2+]CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000666856369 461837377 /nfs/dbraw/zinc/83/73/77/461837377.db2.gz DSUBXXRVUQNZQK-LJQANCHMSA-N 2 0 347.466 3.166 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1Cl ZINC000647794106 461838057 /nfs/dbraw/zinc/83/80/57/461838057.db2.gz RHAZDSLNLJSMMN-BARDWOONSA-N 2 0 337.870 3.036 20 0 EGADRP c1cc(OC2CCCCC2)ncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793316 461838657 /nfs/dbraw/zinc/83/86/57/461838657.db2.gz TUVYIVJDQANQMG-KZNAEPCWSA-N 2 0 329.488 3.271 20 0 EGADRP O=C(c1ccc(O)cc1)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647874455 461866479 /nfs/dbraw/zinc/86/64/79/461866479.db2.gz XPIISCSQJWOYGG-UHFFFAOYSA-N 2 0 330.472 3.067 20 0 EGADRP C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@H]1CC[NH2+]C1)OCCO3 ZINC000647874475 461867197 /nfs/dbraw/zinc/86/71/97/461867197.db2.gz ZRNYYTFUJCIELH-CVEARBPZSA-N 2 0 342.483 3.256 20 0 EGADRP COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1OC ZINC000647883483 461870775 /nfs/dbraw/zinc/87/07/75/461870775.db2.gz VYLCLQZYFKHIQQ-ROUUACIJSA-N 2 0 332.488 3.100 20 0 EGADRP CC(C)CO[C@H](C)c1noc(CN(C)CCCC2CC[NH2+]CC2)n1 ZINC000647890814 461872261 /nfs/dbraw/zinc/87/22/61/461872261.db2.gz YIMFMJSJSGYVJV-OAHLLOKOSA-N 2 0 338.496 3.015 20 0 EGADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783893 461894868 /nfs/dbraw/zinc/89/48/68/461894868.db2.gz BASKKDYHFYVKNH-OAHLLOKOSA-N 2 0 330.501 3.350 20 0 EGADRP COCCCOc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785224 461896163 /nfs/dbraw/zinc/89/61/63/461896163.db2.gz KUHOYLLHCDVTQO-FQEVSTJZSA-N 2 0 346.515 3.314 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCN(CCSc3ccc(F)cc3F)C2)C1 ZINC000660641811 461898005 /nfs/dbraw/zinc/89/80/05/461898005.db2.gz KAOOIZMFFPPECT-KRWDZBQOSA-N 2 0 326.456 3.475 20 0 EGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc(C4CCCC4)c3)C2)nn1 ZINC000656786608 461898306 /nfs/dbraw/zinc/89/83/06/461898306.db2.gz OGODCZKWEBMDOD-HXUWFJFHSA-N 2 0 339.487 3.232 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000656787504 461898460 /nfs/dbraw/zinc/89/84/60/461898460.db2.gz ZQERCEAGALZXGL-QGZVFWFLSA-N 2 0 342.487 3.200 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000650706540 461898849 /nfs/dbraw/zinc/89/88/49/461898849.db2.gz NDHBBRMYKNFGKR-BJJXKVORSA-N 2 0 326.843 3.197 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc2cccnc12 ZINC000650707220 461899684 /nfs/dbraw/zinc/89/96/84/461899684.db2.gz ANIXLCCFDLFHJJ-UFYCRDLUSA-N 2 0 339.483 3.262 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650707543 461901531 /nfs/dbraw/zinc/90/15/31/461901531.db2.gz IJJZGJWOQMJVRB-HYJFEMIMSA-N 2 0 332.488 3.017 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995640 461902769 /nfs/dbraw/zinc/90/27/69/461902769.db2.gz UUIMQJNQFGMQGY-BBRMVZONSA-N 2 0 335.879 3.321 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654856 461904314 /nfs/dbraw/zinc/90/43/14/461904314.db2.gz IJROGBNYFTVERJ-RDTXWAMCSA-N 2 0 335.879 3.085 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650723036 461914605 /nfs/dbraw/zinc/91/46/05/461914605.db2.gz GOIPAUMJGISINV-RARDXLECSA-N 2 0 332.488 3.160 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975695 461917661 /nfs/dbraw/zinc/91/76/61/461917661.db2.gz DSMCKQAFRHWECB-OWCLPIDISA-N 2 0 349.906 3.379 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647976111 461918103 /nfs/dbraw/zinc/91/81/03/461918103.db2.gz KECWMMSEWRHIQK-GVDBMIGSSA-N 2 0 347.478 3.173 20 0 EGADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976327 461918268 /nfs/dbraw/zinc/91/82/68/461918268.db2.gz NCCHGPKYLNBNAB-RBUKOAKNSA-N 2 0 343.515 3.208 20 0 EGADRP Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647978214 461921139 /nfs/dbraw/zinc/92/11/39/461921139.db2.gz OJICJRRTHLISQG-HUUCEWRRSA-N 2 0 344.434 3.087 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650751857 461933879 /nfs/dbraw/zinc/93/38/79/461933879.db2.gz CQCPZASPSLOGCL-CQSZACIVSA-N 2 0 332.419 3.160 20 0 EGADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCc2cc(OC)c(OC)cc21 ZINC000650756767 461937701 /nfs/dbraw/zinc/93/77/01/461937701.db2.gz JLCWHRGZJZKIHW-SFHVURJKSA-N 2 0 326.440 3.200 20 0 EGADRP CC[C@H]1CN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC[C@H]1[NH3+] ZINC000667099717 461949034 /nfs/dbraw/zinc/94/90/34/461949034.db2.gz UNUUUFKZWGBZEG-KBXCAEBGSA-N 2 0 340.427 3.465 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000657293703 462023449 /nfs/dbraw/zinc/02/34/49/462023449.db2.gz UBAQNNVICURQQG-MSOLQXFVSA-N 2 0 334.504 3.454 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657349658 462064365 /nfs/dbraw/zinc/06/43/65/462064365.db2.gz ULOLOQNMTQPKNO-UHFFFAOYSA-N 2 0 329.419 3.444 20 0 EGADRP CCc1cccc2cc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)oc21 ZINC000657357066 462068688 /nfs/dbraw/zinc/06/86/88/462068688.db2.gz VZUMOKJQFHFBTF-GOSISDBHSA-N 2 0 330.472 3.322 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc21 ZINC000657364708 462073222 /nfs/dbraw/zinc/07/32/22/462073222.db2.gz ODOTVGCJNQWAKJ-INIZCTEOSA-N 2 0 327.472 3.067 20 0 EGADRP c1csc(N2CCC([NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000657392008 462093799 /nfs/dbraw/zinc/09/37/99/462093799.db2.gz KTHVZOLXAMKKBB-UHFFFAOYSA-N 2 0 339.468 3.087 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000639759692 462095300 /nfs/dbraw/zinc/09/53/00/462095300.db2.gz GUUQMHNXWMUIQC-UHFFFAOYSA-N 2 0 329.419 3.398 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667534868 462132514 /nfs/dbraw/zinc/13/25/14/462132514.db2.gz NPWHPKZHOMCFKI-NRFANRHFSA-N 2 0 346.515 3.407 20 0 EGADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCC2)cc1 ZINC000654307266 462148626 /nfs/dbraw/zinc/14/86/26/462148626.db2.gz QUSGVGXJBACZGV-UXHICEINSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)C1CC[NH+](C)CC1 ZINC000651358900 462194392 /nfs/dbraw/zinc/19/43/92/462194392.db2.gz OMWSLIUHJBBIHI-AWEZNQCLSA-N 2 0 332.879 3.346 20 0 EGADRP Fc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000657612702 462204276 /nfs/dbraw/zinc/20/42/76/462204276.db2.gz PMYNXDPJGYPXTH-UHFFFAOYSA-N 2 0 331.410 3.362 20 0 EGADRP COC[C@]1(C)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648643450 462212973 /nfs/dbraw/zinc/21/29/73/462212973.db2.gz WYIUGJJZHYSFRQ-HXUWFJFHSA-N 2 0 332.488 3.020 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727967 462233254 /nfs/dbraw/zinc/23/32/54/462233254.db2.gz LOVYPDYJPYATSB-FUHWJXTLSA-N 2 0 344.503 3.264 20 0 EGADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000648753775 462262410 /nfs/dbraw/zinc/26/24/10/462262410.db2.gz IRTFSAJKMPYXND-VQIMIIECSA-N 2 0 329.488 3.341 20 0 EGADRP CC1(C)C[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000651596200 462272643 /nfs/dbraw/zinc/27/26/43/462272643.db2.gz VBGFFQNYKKTZFE-IBGZPJMESA-N 2 0 346.515 3.456 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657816773 462280442 /nfs/dbraw/zinc/28/04/42/462280442.db2.gz ZUDCHHKEJVUOOT-QGZVFWFLSA-N 2 0 346.515 3.312 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657834483 462289536 /nfs/dbraw/zinc/28/95/36/462289536.db2.gz PRIAPVXCIUFXDE-IBGZPJMESA-N 2 0 337.939 3.278 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC000667854124 462295566 /nfs/dbraw/zinc/29/55/66/462295566.db2.gz GTKNAEBRZUURSV-UHFFFAOYSA-N 2 0 338.455 3.063 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc4c3CCC4)cc2)CC1 ZINC000651678658 462300624 /nfs/dbraw/zinc/30/06/24/462300624.db2.gz YGGAXAUXWHDTKK-UHFFFAOYSA-N 2 0 349.522 3.213 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C2CC2)c1 ZINC000645409058 462316039 /nfs/dbraw/zinc/31/60/39/462316039.db2.gz RVRBHLWXZQSZDZ-UZLBHIALSA-N 2 0 327.516 3.383 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc2c1CCC2 ZINC000651812730 462345003 /nfs/dbraw/zinc/34/50/03/462345003.db2.gz KAMVNDORNCYOSQ-UHFFFAOYSA-N 2 0 339.483 3.191 20 0 EGADRP Cc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658066486 462364882 /nfs/dbraw/zinc/36/48/82/462364882.db2.gz AZGALSIAIZZNGT-QGZVFWFLSA-N 2 0 349.544 3.310 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000668027995 462381512 /nfs/dbraw/zinc/38/15/12/462381512.db2.gz VTLHTYJNJUKKIU-KRWDZBQOSA-N 2 0 332.488 3.161 20 0 EGADRP C[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165781 462414550 /nfs/dbraw/zinc/41/45/50/462414550.db2.gz LUFZGBBQCSNVTA-KRWDZBQOSA-N 2 0 331.504 3.088 20 0 EGADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000658168091 462416468 /nfs/dbraw/zinc/41/64/68/462416468.db2.gz VPDZVRYKEDGVFV-ZCNNSNEGSA-N 2 0 343.515 3.087 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150330 462451296 /nfs/dbraw/zinc/45/12/96/462451296.db2.gz SSSKCUNXLRNWAO-MRXNPFEDSA-N 2 0 336.476 3.095 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2C)[C@H](C)C1 ZINC000658352311 462487244 /nfs/dbraw/zinc/48/72/44/462487244.db2.gz HWWIWAKZHZLUIX-APWZRJJASA-N 2 0 334.504 3.230 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358884 462489864 /nfs/dbraw/zinc/48/98/64/462489864.db2.gz ZTZCIWHIZQNLJH-MRXNPFEDSA-N 2 0 344.499 3.448 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1nc2ccccc2n1C ZINC000658358262 462490250 /nfs/dbraw/zinc/49/02/50/462490250.db2.gz ZTMMMDMFRDATAQ-OAHLLOKOSA-N 2 0 326.488 3.346 20 0 EGADRP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000649418545 462504544 /nfs/dbraw/zinc/50/45/44/462504544.db2.gz UWFUPHHIYLHGJY-SJORKVTESA-N 2 0 325.456 3.472 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000165289406 534125056 /nfs/dbraw/zinc/12/50/56/534125056.db2.gz ODBOKYDTFDHAFO-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133025024 527807600 /nfs/dbraw/zinc/80/76/00/527807600.db2.gz CQLVGNNCXHCXGG-VURPSTOHSA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000165999704 528834035 /nfs/dbraw/zinc/83/40/35/528834035.db2.gz YXZORJHQADFDOX-IHWFROFDSA-N 2 0 343.515 3.064 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000132312270 529177712 /nfs/dbraw/zinc/17/77/12/529177712.db2.gz UVBYGYFDXWFFLH-WOJBJXKFSA-N 2 0 333.520 3.008 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(F)c1 ZINC000187781484 529187327 /nfs/dbraw/zinc/18/73/27/529187327.db2.gz UMGGMUXBJIODHZ-LJQANCHMSA-N 2 0 342.462 3.213 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)Cc2ccccc2)C1 ZINC000354602814 535258643 /nfs/dbraw/zinc/25/86/43/535258643.db2.gz MCLQRIXXUSBTIZ-VQTJNVASSA-N 2 0 345.531 3.087 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000351692167 536357684 /nfs/dbraw/zinc/35/76/84/536357684.db2.gz LEUAYQCBOGISED-FQEVSTJZSA-N 2 0 333.495 3.208 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000089551303 546645032 /nfs/dbraw/zinc/64/50/32/546645032.db2.gz VCTQJLYITNTDGV-HNNXBMFYSA-N 2 0 342.487 3.161 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000090418824 546657381 /nfs/dbraw/zinc/65/73/81/546657381.db2.gz MLKCYOBAUZRYFB-AWEZNQCLSA-N 2 0 345.512 3.259 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000119059822 546702358 /nfs/dbraw/zinc/70/23/58/546702358.db2.gz CLMWLYRTBNEINZ-DYESRHJHSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000120014547 546711056 /nfs/dbraw/zinc/71/10/56/546711056.db2.gz UUDPCZMDTIBQNM-CYBMUJFWSA-N 2 0 330.394 3.448 20 0 EGADRP CCOc1cc2c(cc1C[NH2+][C@H](C)C1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000161732483 546959928 /nfs/dbraw/zinc/95/99/28/546959928.db2.gz UCASNDNLEZVFOK-HUUCEWRRSA-N 2 0 332.488 3.229 20 0 EGADRP Cc1nc2ccccc2nc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179171505 547044163 /nfs/dbraw/zinc/04/41/63/547044163.db2.gz NXONGUMRGLEKOU-IIBYNOLFSA-N 2 0 336.483 3.387 20 0 EGADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000180460979 547056669 /nfs/dbraw/zinc/05/66/69/547056669.db2.gz KUKMUIPAOBPUTQ-KGLIPLIRSA-N 2 0 345.466 3.021 20 0 EGADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000339066899 547567790 /nfs/dbraw/zinc/56/77/90/547567790.db2.gz JABLVGHPNQXDAB-ACRUOGEOSA-N 2 0 327.516 3.348 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072651 547567970 /nfs/dbraw/zinc/56/79/70/547567970.db2.gz YHXAFNJHSSXPJX-UIFIKXQLSA-N 2 0 327.516 3.428 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339067841 547569428 /nfs/dbraw/zinc/56/94/28/547569428.db2.gz JMBYSRPTJQBOLI-BJLQDIEVSA-N 2 0 343.515 3.049 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000339068914 547569635 /nfs/dbraw/zinc/56/96/35/547569635.db2.gz RYKKWGIZDZWRRB-DYXWJJEUSA-N 2 0 343.515 3.049 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCOCCOCc2ccccc2)c2ccccc21 ZINC000390469730 547828380 /nfs/dbraw/zinc/82/83/80/547828380.db2.gz BMQDAXBGTZBDCH-RTWAWAEBSA-N 2 0 340.467 3.344 20 0 EGADRP CC(C)Oc1ncccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000391947869 547831716 /nfs/dbraw/zinc/83/17/16/547831716.db2.gz AQQGFSHGUGHZLE-UHFFFAOYSA-N 2 0 326.444 3.022 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000414929190 547861009 /nfs/dbraw/zinc/86/10/09/547861009.db2.gz RDWLHQMXXVDSSY-OLZOCXBDSA-N 2 0 334.261 3.357 20 0 EGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)nn1 ZINC000415120512 547863477 /nfs/dbraw/zinc/86/34/77/547863477.db2.gz GEABPZIKSMXLEH-NRFANRHFSA-N 2 0 347.466 3.241 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1Cl ZINC000425951160 547885602 /nfs/dbraw/zinc/88/56/02/547885602.db2.gz MAWDYAMULMUVIL-OCCSQVGLSA-N 2 0 325.884 3.153 20 0 EGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@H](C)O1 ZINC000446072587 547924244 /nfs/dbraw/zinc/92/42/44/547924244.db2.gz VBJOKPGRLWMMOB-IJANMDNKSA-N 2 0 326.525 3.152 20 0 EGADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000671194620 548259763 /nfs/dbraw/zinc/25/97/63/548259763.db2.gz SUYDWQJNSVASIH-PXNSSMCTSA-N 2 0 332.488 3.207 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000673600344 548579982 /nfs/dbraw/zinc/57/99/82/548579982.db2.gz DCXOEKPNNDSPFY-STQMWFEESA-N 2 0 343.284 3.451 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000673600342 548580248 /nfs/dbraw/zinc/58/02/48/548580248.db2.gz DCXOEKPNNDSPFY-QWHCGFSZSA-N 2 0 343.284 3.451 20 0 EGADRP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000673962344 548662851 /nfs/dbraw/zinc/66/28/51/548662851.db2.gz LMALLDWLWICJLT-YWZLYKJASA-N 2 0 326.440 3.239 20 0 EGADRP C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000674088164 548688894 /nfs/dbraw/zinc/68/88/94/548688894.db2.gz QMZZMNVMVYVTKV-GOSISDBHSA-N 2 0 339.483 3.277 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](CC3CC3)c3ccccc3)C2)CC1 ZINC000675876684 548995540 /nfs/dbraw/zinc/99/55/40/548995540.db2.gz ZGENDJQSKIOKDS-TZIWHRDSSA-N 2 0 327.516 3.286 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675888286 548998028 /nfs/dbraw/zinc/99/80/28/548998028.db2.gz DEUWBQUQOXQLGB-APWZRJJASA-N 2 0 333.495 3.423 20 0 EGADRP Cc1ccc2ccccc2c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000675965199 549011919 /nfs/dbraw/zinc/01/19/19/549011919.db2.gz QDPUQJZNWFDGSK-HXUWFJFHSA-N 2 0 337.511 3.360 20 0 EGADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1cccc(O)c1 ZINC000676413363 549084736 /nfs/dbraw/zinc/08/47/36/549084736.db2.gz CPMIDWOGSVUPSU-UHFFFAOYSA-N 2 0 340.467 3.499 20 0 EGADRP Cc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)co2)cc1 ZINC000677237992 549235075 /nfs/dbraw/zinc/23/50/75/549235075.db2.gz UEHGSWYOYOJNIB-HKUYNNGSSA-N 2 0 325.456 3.409 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000678654105 549543003 /nfs/dbraw/zinc/54/30/03/549543003.db2.gz WSAMSTBTKJJUBF-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1C[C@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@@H+]1C ZINC000679143690 549643691 /nfs/dbraw/zinc/64/36/91/549643691.db2.gz YPAPBNVTEXOUGC-VQIMIIECSA-N 2 0 333.545 3.173 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000679366245 549696683 /nfs/dbraw/zinc/69/66/83/549696683.db2.gz SXSZTCCYXACKBG-DZGCQCFKSA-N 2 0 339.886 3.378 20 0 EGADRP C[NH+](C)CCOc1ccc(CNc2ccccc2CC[NH+](C)C)cc1 ZINC000682087551 550071925 /nfs/dbraw/zinc/07/19/25/550071925.db2.gz IBTJNILBPGCIHQ-UHFFFAOYSA-N 2 0 341.499 3.343 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000682130771 550075977 /nfs/dbraw/zinc/07/59/77/550075977.db2.gz JJIXGGCRCKEZDN-CTNGQTDRSA-N 2 0 329.532 3.112 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000683765927 550259207 /nfs/dbraw/zinc/25/92/07/550259207.db2.gz KFIBYQXRSHLQIO-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000684557552 550342961 /nfs/dbraw/zinc/34/29/61/550342961.db2.gz WTGYUFCBQHKPQT-KPACCLEDSA-N 2 0 328.500 3.302 20 0 EGADRP CO[C@]1(C)CCC[N@H+](C/C=C\C[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000684622746 550349844 /nfs/dbraw/zinc/34/98/44/550349844.db2.gz AHAKANWSVSDGQI-GGJLBNBESA-N 2 0 338.536 3.325 20 0 EGADRP CC[C@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457573 550418864 /nfs/dbraw/zinc/41/88/64/550418864.db2.gz FGNCGRMMCMDTHX-NQIIRXRSSA-N 2 0 329.532 3.281 20 0 EGADRP C[C@@H](CCc1ccccc1)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457620 550419289 /nfs/dbraw/zinc/41/92/89/550419289.db2.gz HCAXZUUUIBWJNG-UGKGYDQZSA-N 2 0 343.559 3.356 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000728572104 574759264 /nfs/dbraw/zinc/75/92/64/574759264.db2.gz RDIQRDYMTMWDES-SFHVURJKSA-N 2 0 326.431 3.050 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323683 576253998 /nfs/dbraw/zinc/25/39/98/576253998.db2.gz BSFDKMLAHFKYHB-UYAOXDASSA-N 3 0 329.532 3.219 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000063917498 1292031045 /nfs/dbraw/zinc/03/10/45/1292031045.db2.gz PGTMKGYWONTDSC-HXUWFJFHSA-N 2 0 339.483 3.482 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067452682 1292161162 /nfs/dbraw/zinc/16/11/62/1292161162.db2.gz IHFLISZPNSRSAP-HDICACEKSA-N 2 0 334.504 3.453 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000067671728 1292166978 /nfs/dbraw/zinc/16/69/78/1292166978.db2.gz ALHUKPXVXYCADO-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864262 1292390538 /nfs/dbraw/zinc/39/05/38/1292390538.db2.gz UHXNUMAGJBAZAL-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1cccc2ccccc21)N1CC[NH+](C)CC1 ZINC000075762997 1292409676 /nfs/dbraw/zinc/40/96/76/1292409676.db2.gz REGAXKIZFGHLBY-NRFANRHFSA-N 2 0 325.500 3.201 20 0 EGADRP Cc1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(C)c1 ZINC000080373761 1292597803 /nfs/dbraw/zinc/59/78/03/1292597803.db2.gz PFCUOLUMNQOSMN-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CO[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(C[NH+](C)C[C@H](C)OC)c1 ZINC000829767613 1292616920 /nfs/dbraw/zinc/61/69/20/1292616920.db2.gz AEZDYCGEAUMRFQ-GASCZTMLSA-N 2 0 342.911 3.273 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088735294 1292755703 /nfs/dbraw/zinc/75/57/03/1292755703.db2.gz CZSFWOOKKILIPM-GHTZIAJQSA-N 2 0 329.532 3.219 20 0 EGADRP c1cn(-c2ccccc2)nc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000091066069 1292813746 /nfs/dbraw/zinc/81/37/46/1292813746.db2.gz MQQZPLVGQPPJJQ-UHFFFAOYSA-N 2 0 347.466 3.274 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000105455011 1293036102 /nfs/dbraw/zinc/03/61/02/1293036102.db2.gz APXMLNFQOKUJLT-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000105442264 1293037784 /nfs/dbraw/zinc/03/77/84/1293037784.db2.gz RFHIVNNLVFHLCL-CQSZACIVSA-N 2 0 344.330 3.357 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105463014 1293039338 /nfs/dbraw/zinc/03/93/38/1293039338.db2.gz RSKWSEOYIWOFHL-MRXNPFEDSA-N 2 0 327.447 3.428 20 0 EGADRP C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)N1CC[NH+](C)CC1 ZINC000105465295 1293040169 /nfs/dbraw/zinc/04/01/69/1293040169.db2.gz PZJXSZPDPHXBCS-INIZCTEOSA-N 2 0 329.513 3.141 20 0 EGADRP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000120811175 1293340725 /nfs/dbraw/zinc/34/07/25/1293340725.db2.gz GMHJPWOOGAAUDY-KRWDZBQOSA-N 2 0 334.504 3.470 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C[NH+]1CCCC1 ZINC000120943332 1293347131 /nfs/dbraw/zinc/34/71/31/1293347131.db2.gz APTSSFQFCDPGII-YLJYHZDGSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000121592197 1293378746 /nfs/dbraw/zinc/37/87/46/1293378746.db2.gz AVDDYNKBKQMBNX-HXUWFJFHSA-N 2 0 343.559 3.405 20 0 EGADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000122009438 1293399280 /nfs/dbraw/zinc/39/92/80/1293399280.db2.gz PNHVWXKXBIADDT-FQEVSTJZSA-N 2 0 334.479 3.447 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132850818 1293730480 /nfs/dbraw/zinc/73/04/80/1293730480.db2.gz PCXGGWWCLUTSNP-PKOBYXMFSA-N 2 0 346.515 3.107 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000136308870 1293813519 /nfs/dbraw/zinc/81/35/19/1293813519.db2.gz PXFNBSLDHOJMLA-HNNXBMFYSA-N 2 0 325.522 3.247 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000152832983 1293986920 /nfs/dbraw/zinc/98/69/20/1293986920.db2.gz KSHFNNYYQYOMDW-HXUWFJFHSA-N 2 0 345.531 3.078 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnc3cnccn23)cc1 ZINC000156610278 1294150939 /nfs/dbraw/zinc/15/09/39/1294150939.db2.gz DKARZLKGFHAGAL-QGZVFWFLSA-N 2 0 349.482 3.394 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000159731394 1294245617 /nfs/dbraw/zinc/24/56/17/1294245617.db2.gz DYCLWOGFNMIKMQ-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP COc1cccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000161297745 1294289605 /nfs/dbraw/zinc/28/96/05/1294289605.db2.gz VXXMBGNMZWQSFP-FQEVSTJZSA-N 2 0 332.488 3.115 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000162349623 1294313863 /nfs/dbraw/zinc/31/38/63/1294313863.db2.gz GUDZREUOZBFGCB-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166417291 1294362596 /nfs/dbraw/zinc/36/25/96/1294362596.db2.gz SHSHEBQEJPFTNA-PMACEKPBSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000166449738 1294363001 /nfs/dbraw/zinc/36/30/01/1294363001.db2.gz MSRKBUBVAAJWMQ-OKYOBFRVSA-N 2 0 335.536 3.007 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000178217608 1294723353 /nfs/dbraw/zinc/72/33/53/1294723353.db2.gz WJISPYOAVHSTSL-UWVAXJGDSA-N 2 0 346.515 3.409 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194424852 1295974770 /nfs/dbraw/zinc/97/47/70/1295974770.db2.gz WALRGDLDASAVOL-FUHWJXTLSA-N 2 0 347.478 3.311 20 0 EGADRP O=C(CC[NH2+]CC1CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000870871367 1296123417 /nfs/dbraw/zinc/12/34/17/1296123417.db2.gz USTPWCIJPVHKCY-UHFFFAOYSA-N 2 0 329.488 3.043 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870907247 1296135598 /nfs/dbraw/zinc/13/55/98/1296135598.db2.gz JIFPUIKRXHFVNB-BHIYHBOVSA-N 2 0 335.536 3.007 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cccnc3C)CC2)cc1 ZINC000237291064 1296234140 /nfs/dbraw/zinc/23/41/40/1296234140.db2.gz QAGMSOANAUTWCW-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@]3(O)CCc4ccccc43)CC2)C1 ZINC000246564245 1296361703 /nfs/dbraw/zinc/36/17/03/1296361703.db2.gz XHXLPHWCYPFRGF-AGHHOFFYSA-N 2 0 342.527 3.453 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261545693 1296594377 /nfs/dbraw/zinc/59/43/77/1296594377.db2.gz GJESSCTWAZNMRI-HKBOAZHASA-N 3 0 329.532 3.396 20 0 EGADRP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000262232443 1296622973 /nfs/dbraw/zinc/62/29/73/1296622973.db2.gz OBTJSXUGVMYSGN-VAMGGRTRSA-N 2 0 341.499 3.214 20 0 EGADRP CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000872085224 1296725645 /nfs/dbraw/zinc/72/56/45/1296725645.db2.gz NTACMUXPPUMYCS-IEBWSBKVSA-N 2 0 338.536 3.061 20 0 EGADRP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157388 1296777638 /nfs/dbraw/zinc/77/76/38/1296777638.db2.gz MZZMPYQKJRHLTB-JTDSTZFVSA-N 2 0 335.536 3.053 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000872222820 1296826574 /nfs/dbraw/zinc/82/65/74/1296826574.db2.gz FPKBQYYSXOCTAR-KRWDZBQOSA-N 2 0 326.431 3.098 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308387358 1297068327 /nfs/dbraw/zinc/06/83/27/1297068327.db2.gz FTDZCBPMJWSEKQ-AQNXPRMDSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@]1(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000310889660 1297104051 /nfs/dbraw/zinc/10/40/51/1297104051.db2.gz KGKMGQHAXCCULC-NHCUHLMSSA-N 2 0 342.458 3.361 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000320808177 1297171913 /nfs/dbraw/zinc/17/19/13/1297171913.db2.gz WTGUFJLPRKLZCN-CZUORRHYSA-N 2 0 330.394 3.059 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000320808167 1297172143 /nfs/dbraw/zinc/17/21/43/1297172143.db2.gz WTGUFJLPRKLZCN-BBRMVZONSA-N 2 0 330.394 3.059 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000327233221 1297245902 /nfs/dbraw/zinc/24/59/02/1297245902.db2.gz LEFNNHKSWUFWRI-FQEVSTJZSA-N 2 0 335.451 3.108 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873101656 1297273799 /nfs/dbraw/zinc/27/37/99/1297273799.db2.gz GPZSDAYHENGTDH-FQEVSTJZSA-N 2 0 347.462 3.091 20 0 EGADRP c1c(C[N@@H+]2CCCN(c3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000873203398 1297347272 /nfs/dbraw/zinc/34/72/72/1297347272.db2.gz CCJWHKHTVUKGQS-UHFFFAOYSA-N 2 0 327.497 3.106 20 0 EGADRP Fc1cccc(C2([NH2+]Cc3cc4c(s3)CC[NH2+]C4)CCOCC2)c1 ZINC000873206431 1297353567 /nfs/dbraw/zinc/35/35/67/1297353567.db2.gz CFCYHWYZYNSJDD-UHFFFAOYSA-N 2 0 346.471 3.328 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC000873212259 1297354981 /nfs/dbraw/zinc/35/49/81/1297354981.db2.gz YCETYUWLQPDXLI-UHFFFAOYSA-N 2 0 332.469 3.091 20 0 EGADRP CC(C)c1ccc([C@@H](N)C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873211422 1297356343 /nfs/dbraw/zinc/35/63/43/1297356343.db2.gz ZVGZUEJTANYFAJ-SFHVURJKSA-N 2 0 329.513 3.307 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCCCOc2ccccc2)C[C@H]1C(F)(F)F ZINC000873227147 1297365782 /nfs/dbraw/zinc/36/57/82/1297365782.db2.gz CJYJLHWGBXBXSF-GDBMZVCRSA-N 2 0 330.394 3.305 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)C1CCCC1 ZINC000873231785 1297373629 /nfs/dbraw/zinc/37/36/29/1297373629.db2.gz DFIGUUBBNRUOJM-QFBILLFUSA-N 2 0 326.488 3.454 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000873242319 1297384381 /nfs/dbraw/zinc/38/43/81/1297384381.db2.gz PBJCMSWQBNNZIC-WIYYLYMNSA-N 3 0 329.532 3.266 20 0 EGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000873260664 1297394149 /nfs/dbraw/zinc/39/41/49/1297394149.db2.gz FKBBUBRBHUIXFO-YDRHNJASSA-N 2 0 332.488 3.316 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000873259790 1297394274 /nfs/dbraw/zinc/39/42/74/1297394274.db2.gz LMICDHXLBOFARL-FJIDUMEYSA-N 2 0 329.488 3.141 20 0 EGADRP COC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc(Br)c1 ZINC000873274026 1297404681 /nfs/dbraw/zinc/40/46/81/1297404681.db2.gz QTEASTUCGNLEQU-IUODEOHRSA-N 2 0 329.282 3.244 20 0 EGADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000873283117 1297408700 /nfs/dbraw/zinc/40/87/00/1297408700.db2.gz YTRIVELAJXDKDJ-YNEHKIRRSA-N 2 0 334.407 3.014 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CCS2 ZINC000873288766 1297410737 /nfs/dbraw/zinc/41/07/37/1297410737.db2.gz BQIJEHCIHWFHBT-GDBMZVCRSA-N 2 0 336.476 3.111 20 0 EGADRP c1ccc(C2CCC([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000873291832 1297414562 /nfs/dbraw/zinc/41/45/62/1297414562.db2.gz YJVTUGJQFHNDAD-MHJFOBGBSA-N 2 0 328.500 3.461 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)ccc1F ZINC000873293389 1297415393 /nfs/dbraw/zinc/41/53/93/1297415393.db2.gz LRHYGUVOKWWTSM-CRAIPNDOSA-N 2 0 338.442 3.410 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1C ZINC000365664077 1297508380 /nfs/dbraw/zinc/50/83/80/1297508380.db2.gz PASDGHVWPOMNAV-DLBZAZTESA-N 2 0 340.471 3.244 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000381638416 1297553983 /nfs/dbraw/zinc/55/39/83/1297553983.db2.gz HFWXATGDVJAOFH-UHFFFAOYSA-N 2 0 341.540 3.486 20 0 EGADRP Cc1ccc(OC[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000392033087 1297650113 /nfs/dbraw/zinc/65/01/13/1297650113.db2.gz DUMCJRYWFHVWJQ-KRWDZBQOSA-N 2 0 325.456 3.416 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000392071851 1297650915 /nfs/dbraw/zinc/65/09/15/1297650915.db2.gz WCXGMOQUFIOHTL-ILZDJORESA-N 2 0 332.488 3.235 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000397527725 1297701462 /nfs/dbraw/zinc/70/14/62/1297701462.db2.gz XJYUBGQZUCAPIB-WOJBJXKFSA-N 2 0 328.500 3.446 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1)C(C)C ZINC000874840608 1298120629 /nfs/dbraw/zinc/12/06/29/1298120629.db2.gz PQCGRKAOJKYRRC-UXHICEINSA-N 2 0 343.515 3.226 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746872133 1298678356 /nfs/dbraw/zinc/67/83/56/1298678356.db2.gz TXHVGDOPWFSQGE-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000876924309 1299069606 /nfs/dbraw/zinc/06/96/06/1299069606.db2.gz LJTPYQBIVNMKTB-UHFFFAOYSA-N 2 0 341.540 3.247 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876943533 1299079476 /nfs/dbraw/zinc/07/94/76/1299079476.db2.gz QXJAESOVBYOODE-INIZCTEOSA-N 2 0 333.476 3.465 20 0 EGADRP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000877054161 1299134987 /nfs/dbraw/zinc/13/49/87/1299134987.db2.gz FRQKSTWXGIXTPX-ICSRJNTNSA-N 2 0 346.515 3.072 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000877136978 1299175487 /nfs/dbraw/zinc/17/54/87/1299175487.db2.gz QDSWYBFNPYAORP-SESVDKBCSA-N 2 0 349.478 3.352 20 0 EGADRP CCCCOc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747686 1299524881 /nfs/dbraw/zinc/52/48/81/1299524881.db2.gz XVPNKHWGCZVERM-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](Cc3csc4ccccc34)CC2)CC1 ZINC000877747207 1299524904 /nfs/dbraw/zinc/52/49/04/1299524904.db2.gz CHCHCUILOOAUPX-UHFFFAOYSA-N 2 0 329.513 3.113 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCSC(C)(C)C)CC1 ZINC000878020764 1299709960 /nfs/dbraw/zinc/70/99/60/1299709960.db2.gz QAXRIHNBHRQRBM-HDICACEKSA-N 2 0 341.609 3.399 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(CCc2ccccc2Br)C1 ZINC000878166701 1299789919 /nfs/dbraw/zinc/78/99/19/1299789919.db2.gz CLDXMUQYSKMJPE-CQSZACIVSA-N 2 0 325.294 3.265 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000760703608 1301323946 /nfs/dbraw/zinc/32/39/46/1301323946.db2.gz PKWYHCSTGWSNNM-UHFFFAOYSA-N 2 0 345.531 3.002 20 0 EGADRP CN(C[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760837640 1301348203 /nfs/dbraw/zinc/34/82/03/1301348203.db2.gz ZUUFZNWHNNEZMB-IRXDYDNUSA-N 2 0 339.524 3.050 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000765472949 1302270311 /nfs/dbraw/zinc/27/03/11/1302270311.db2.gz UMLFGWMEVFOFOH-GOSISDBHSA-N 2 0 344.547 3.043 20 0 EGADRP CC[C@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000766359910 1302438262 /nfs/dbraw/zinc/43/82/62/1302438262.db2.gz IKQVREMOLYTECB-DLBZAZTESA-N 2 0 333.520 3.108 20 0 EGADRP CC[N@H+](CCC[NH2+][C@@H]1CCOC2(CCOCC2)C1)C1CCCCC1 ZINC000886154052 1303376795 /nfs/dbraw/zinc/37/67/95/1303376795.db2.gz XZRHIVCQGNOJPJ-GOSISDBHSA-N 2 0 338.536 3.349 20 0 EGADRP C[NH+](C[C@@H]1CCCOC1)[C@H]1CC[C@H]([N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000886392091 1303454301 /nfs/dbraw/zinc/45/43/01/1303454301.db2.gz UJXZYFUKEQUDJO-MUGJNUQGSA-N 2 0 338.536 3.014 20 0 EGADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000886386909 1303454502 /nfs/dbraw/zinc/45/45/02/1303454502.db2.gz LIVBTLUGFWTKPL-OROIIQQLSA-N 2 0 338.536 3.011 20 0 EGADRP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)O2)CO1 ZINC000886769550 1303591220 /nfs/dbraw/zinc/59/12/20/1303591220.db2.gz WXLLGNYBHDAJSB-RFBOWNPMSA-N 2 0 336.520 3.100 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775374366 1303948819 /nfs/dbraw/zinc/94/88/19/1303948819.db2.gz BGXNZMGWJUIRTK-BRWVUGGUSA-N 2 0 328.591 3.468 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C)cc1C[NH+]1CCCCC1 ZINC000775386731 1303952734 /nfs/dbraw/zinc/95/27/34/1303952734.db2.gz UBPGYQNHQSAFES-DLBZAZTESA-N 2 0 333.520 3.282 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)ccc1OC ZINC000775386689 1303952897 /nfs/dbraw/zinc/95/28/97/1303952897.db2.gz SWQXCHZQEYFYRM-QFBILLFUSA-N 2 0 345.531 3.424 20 0 EGADRP C[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777299073 1304280631 /nfs/dbraw/zinc/28/06/31/1304280631.db2.gz AFPQPTBHIUCEPY-SJLPKXTDSA-N 2 0 330.520 3.112 20 0 EGADRP Clc1ccc2c(c1)CC[C@@H]2[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000777691486 1304335769 /nfs/dbraw/zinc/33/57/69/1304335769.db2.gz JFIIJZWJHPMYEE-IBGZPJMESA-N 2 0 334.891 3.372 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CCc4ccccc43)CC2)CC1 ZINC000780303082 1304674298 /nfs/dbraw/zinc/67/42/98/1304674298.db2.gz DGEJPMCTHUCSBB-HXUWFJFHSA-N 2 0 341.543 3.207 20 0 EGADRP FCc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000780331147 1304677871 /nfs/dbraw/zinc/67/78/71/1304677871.db2.gz NOADFQDPMPCYHE-UHFFFAOYSA-N 2 0 334.479 3.481 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)cc1C[NH+]1CCCCC1 ZINC000783537179 1305104945 /nfs/dbraw/zinc/10/49/45/1305104945.db2.gz VRTKPHUHLDAPQK-ULQDDVLXSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000891831937 1305181741 /nfs/dbraw/zinc/18/17/41/1305181741.db2.gz DJTKODRDMHLPFW-QGZVFWFLSA-N 2 0 327.516 3.244 20 0 EGADRP CC[NH+]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(C)c2)CC1 ZINC000892255387 1305295865 /nfs/dbraw/zinc/29/58/65/1305295865.db2.gz YYOIWEJZPRLMCG-YQQQUEKLSA-N 2 0 342.531 3.174 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnn(C)c2C2CC2)c1 ZINC000892612946 1305469956 /nfs/dbraw/zinc/46/99/56/1305469956.db2.gz PRSJMMPRIKCFJZ-UHFFFAOYSA-N 2 0 326.488 3.429 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+]CC3CC[NH+](C)CC3)ccn2)cc1 ZINC000892613007 1305471037 /nfs/dbraw/zinc/47/10/37/1305471037.db2.gz HCKFKDHBWYNYNE-UHFFFAOYSA-N 2 0 341.455 3.314 20 0 EGADRP CCn1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(C)n1 ZINC000892753879 1305540502 /nfs/dbraw/zinc/54/05/02/1305540502.db2.gz YPKOMENCQCFAQL-UHFFFAOYSA-N 2 0 332.517 3.275 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000893167466 1305743208 /nfs/dbraw/zinc/74/32/08/1305743208.db2.gz KXDZZIWKOGEKIO-GFCCVEGCSA-N 2 0 343.284 3.451 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n(-c2ccccc2)n1 ZINC000893204734 1305759716 /nfs/dbraw/zinc/75/97/16/1305759716.db2.gz DGTTWKRIQFWGST-SHFXZJCHSA-N 2 0 338.499 3.327 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000893327768 1305834234 /nfs/dbraw/zinc/83/42/34/1305834234.db2.gz OWKVVAWMCIPWFS-UHFFFAOYSA-N 2 0 326.488 3.428 20 0 EGADRP CCCC1CCC([N@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790387362 1306313718 /nfs/dbraw/zinc/31/37/18/1306313718.db2.gz NGADILPVPHBGSH-OUNSHVDWSA-N 2 0 349.519 3.151 20 0 EGADRP CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000793330452 1309348952 /nfs/dbraw/zinc/34/89/52/1309348952.db2.gz IZPPVQMYOSGHNC-MSOLQXFVSA-N 2 0 349.519 3.160 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000895685080 1309464684 /nfs/dbraw/zinc/46/46/84/1309464684.db2.gz JAESFJYVFBIPON-UHFFFAOYSA-N 2 0 345.466 3.104 20 0 EGADRP COc1cccc2c1ncc(C)c2NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521814 1309900484 /nfs/dbraw/zinc/90/04/84/1309900484.db2.gz FVJUCAXOBYBRPL-INIZCTEOSA-N 2 0 341.455 3.217 20 0 EGADRP C[C@]1(C[NH2+]Cc2cccc3nccn32)CC[N@H+](Cc2ccccc2)C1 ZINC000798497774 1310373229 /nfs/dbraw/zinc/37/32/29/1310373229.db2.gz ADDDRTIUPUNTDX-OAQYLSRUSA-N 2 0 334.467 3.336 20 0 EGADRP COc1ccc(COCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799178781 1310501015 /nfs/dbraw/zinc/50/10/15/1310501015.db2.gz KJQVGHUOJBWYDE-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP C[C@]1(C[NH2+][C@H]2CCC23CCOCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000800490743 1310768537 /nfs/dbraw/zinc/76/85/37/1310768537.db2.gz JPCUWFYQGRZKEJ-VQTJNVASSA-N 2 0 328.500 3.447 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000839181193 1320887715 /nfs/dbraw/zinc/88/77/15/1320887715.db2.gz HLGRXAVKKFBYCF-GFCCVEGCSA-N 2 0 341.286 3.463 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857262059 1328525607 /nfs/dbraw/zinc/52/56/07/1328525607.db2.gz AQPRYIYQANBGTL-XLIONFOSSA-N 2 0 345.531 3.346 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019468320 1317262579 /nfs/dbraw/zinc/26/25/79/1317262579.db2.gz PNXVGXCUYMDOCC-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764080 1317421047 /nfs/dbraw/zinc/42/10/47/1317421047.db2.gz VJZSGHGVZFMYAF-IAGOWNOFSA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001019823803 1317440371 /nfs/dbraw/zinc/44/03/71/1317440371.db2.gz SWTSQPPGBCFUGR-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806130547 1317463563 /nfs/dbraw/zinc/46/35/63/1317463563.db2.gz AHSBILUYYOUHOC-QGZVFWFLSA-N 2 0 345.874 3.453 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806136346 1317464212 /nfs/dbraw/zinc/46/42/12/1317464212.db2.gz WYSLUCLQAVFDNQ-INIZCTEOSA-N 2 0 345.874 3.453 20 0 EGADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000806144845 1317465526 /nfs/dbraw/zinc/46/55/26/1317465526.db2.gz WAOQBOPNXZGNNB-BHDPWAOGSA-N 2 0 334.426 3.483 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)C1 ZINC000957592294 1317482906 /nfs/dbraw/zinc/48/29/06/1317482906.db2.gz WEPZFHWGAHJMPO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000902334593 1317564808 /nfs/dbraw/zinc/56/48/08/1317564808.db2.gz RBICMVANJBCLDZ-KBXCAEBGSA-N 2 0 329.488 3.464 20 0 EGADRP CN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000902368227 1317569413 /nfs/dbraw/zinc/56/94/13/1317569413.db2.gz FUSKNHWIERJSKX-JCGIZDLHSA-N 2 0 337.458 3.078 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020239280 1317605446 /nfs/dbraw/zinc/60/54/46/1317605446.db2.gz VKZJECGBVZOKPD-FRYIKTPZSA-N 2 0 343.515 3.247 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OCC)C2)[C@H](C)C1 ZINC000902806754 1317618247 /nfs/dbraw/zinc/61/82/47/1317618247.db2.gz NTTCPVRFCABIDW-MKXGPGLRSA-N 2 0 326.525 3.061 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)CCC2(C)C)CC1 ZINC000808153949 1317632532 /nfs/dbraw/zinc/63/25/32/1317632532.db2.gz NHCXYDFRUOIWQS-UHFFFAOYSA-N 2 0 343.515 3.189 20 0 EGADRP CC1(C)CCC(C[NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC000957774380 1317638290 /nfs/dbraw/zinc/63/82/90/1317638290.db2.gz UEAUYXIIAJKWOB-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[NH+](CCC2CCCCC2)CC1)[NH+]1CCCC1 ZINC000957782589 1317644450 /nfs/dbraw/zinc/64/44/50/1317644450.db2.gz JXFSJVMJKYBHGC-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903072536 1317647361 /nfs/dbraw/zinc/64/73/61/1317647361.db2.gz KHSAADXHVHYACD-KWJOIHEDSA-N 3 0 333.564 3.492 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903072544 1317648432 /nfs/dbraw/zinc/64/84/32/1317648432.db2.gz KHSAADXHVHYACD-SVDIDWCTSA-N 3 0 333.564 3.492 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001020335986 1317651512 /nfs/dbraw/zinc/65/15/12/1317651512.db2.gz PEGCZICEZBWQBT-QAQDUYKDSA-N 2 0 340.471 3.073 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000903119995 1317657584 /nfs/dbraw/zinc/65/75/84/1317657584.db2.gz UYHVOCHQXLNWAU-SHQCPXRQSA-N 2 0 346.515 3.216 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1cccc(F)c1 ZINC000903119397 1317657655 /nfs/dbraw/zinc/65/76/55/1317657655.db2.gz ZULWCEOWFJWHBZ-UTBUEMAESA-N 2 0 334.479 3.346 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000903129558 1317660115 /nfs/dbraw/zinc/66/01/15/1317660115.db2.gz YQWZIFJUFIYSMY-SOAISFHBSA-N 2 0 344.499 3.361 20 0 EGADRP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1 ZINC000903312565 1317686775 /nfs/dbraw/zinc/68/67/75/1317686775.db2.gz ZWQDGFZHKIIVNX-HXUWFJFHSA-N 2 0 334.479 3.420 20 0 EGADRP Brc1cncc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000903565689 1317707940 /nfs/dbraw/zinc/70/79/40/1317707940.db2.gz BOOZISWBSIOLMC-XJKSGUPXSA-N 2 0 338.293 3.371 20 0 EGADRP c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722750 1317724435 /nfs/dbraw/zinc/72/44/35/1317724435.db2.gz OKWIKWXFHQRYPU-QUCCMNQESA-N 2 0 326.484 3.297 20 0 EGADRP C[C@]1(c2ccccc2)CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728380 1317726046 /nfs/dbraw/zinc/72/60/46/1317726046.db2.gz ABVOLZLBEXJGFB-UXHICEINSA-N 2 0 328.500 3.199 20 0 EGADRP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725291 1317726248 /nfs/dbraw/zinc/72/62/48/1317726248.db2.gz ASIFAOTYLJAFNR-HBMCJLEFSA-N 2 0 328.500 3.018 20 0 EGADRP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903758785 1317731285 /nfs/dbraw/zinc/73/12/85/1317731285.db2.gz MKJVFKJHNZVQEH-PMPSAXMXSA-N 2 0 346.368 3.177 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1c1ccccc1 ZINC000903782002 1317732977 /nfs/dbraw/zinc/73/29/77/1317732977.db2.gz CUFRRQAMBLYQAI-RLLQIKCJSA-N 2 0 328.500 3.271 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001020508896 1317734108 /nfs/dbraw/zinc/73/41/08/1317734108.db2.gz GABSLSINWMMDGT-VMXHOPILSA-N 2 0 343.515 3.023 20 0 EGADRP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786940 1317734141 /nfs/dbraw/zinc/73/41/41/1317734141.db2.gz QZTJCHUQXAYGPT-AEFFLSMTSA-N 2 0 342.483 3.181 20 0 EGADRP Cc1cccc2nc(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)cn21 ZINC000903792411 1317735358 /nfs/dbraw/zinc/73/53/58/1317735358.db2.gz AOHSRZAJWNVAMK-UHFFFAOYSA-N 2 0 334.467 3.135 20 0 EGADRP Cc1cc(C)cc(C2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903875971 1317740347 /nfs/dbraw/zinc/74/03/47/1317740347.db2.gz UWXIDLODDXAUOX-LEWJYISDSA-N 2 0 328.500 3.251 20 0 EGADRP CC1(C)C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2cc(N)ccc2O1 ZINC000903919559 1317749426 /nfs/dbraw/zinc/74/94/26/1317749426.db2.gz OAEKHMGCJSEYEA-LJQANCHMSA-N 2 0 337.467 3.307 20 0 EGADRP O=C(Nc1cccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)c1)C1CCC1 ZINC000903924514 1317750282 /nfs/dbraw/zinc/75/02/82/1317750282.db2.gz FKWPRMFIMUALIB-UHFFFAOYSA-N 2 0 349.478 3.361 20 0 EGADRP Fc1ccc(CN2CCC([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1F ZINC000903927326 1317750416 /nfs/dbraw/zinc/75/04/16/1317750416.db2.gz XLIJGRLRWUABHE-ZNXRZULTSA-N 2 0 349.469 3.049 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)CCC2 ZINC000903933897 1317751646 /nfs/dbraw/zinc/75/16/46/1317751646.db2.gz AJRWWYJHTYWXPF-MAUKXSAKSA-N 2 0 345.878 3.023 20 0 EGADRP COC(=O)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1C ZINC000904358025 1317834993 /nfs/dbraw/zinc/83/49/93/1317834993.db2.gz GOGDLLQRDAKUOO-IBGZPJMESA-N 2 0 326.440 3.351 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000904404696 1317843723 /nfs/dbraw/zinc/84/37/23/1317843723.db2.gz CXLXDGLOWOLSIZ-PBHICJAKSA-N 2 0 338.879 3.069 20 0 EGADRP CC(C)C[C@H]([NH3+])Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904526838 1317857781 /nfs/dbraw/zinc/85/77/81/1317857781.db2.gz HJIXCYQHSADQAY-KRWDZBQOSA-N 2 0 328.460 3.248 20 0 EGADRP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000905095266 1317923338 /nfs/dbraw/zinc/92/33/38/1317923338.db2.gz DCQKWNSPQGCOGA-IFMALSPDSA-N 2 0 338.495 3.183 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)CC1 ZINC001020865538 1317974769 /nfs/dbraw/zinc/97/47/69/1317974769.db2.gz JFUIBLGHLFIHOR-NOKIBDOBSA-N 2 0 349.563 3.170 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cncn2C)ccc1OC ZINC000810242432 1317984976 /nfs/dbraw/zinc/98/49/76/1317984976.db2.gz BPFSEDZJZOIMJP-OAHLLOKOSA-N 2 0 330.476 3.121 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](O)CC2(O)CCCCC2)cc1 ZINC000905888412 1318015060 /nfs/dbraw/zinc/01/50/60/1318015060.db2.gz DABOICZFAHSBPD-HXUWFJFHSA-N 2 0 348.531 3.064 20 0 EGADRP COc1ccccc1[C@@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCCCC1 ZINC000858354540 1328743186 /nfs/dbraw/zinc/74/31/86/1328743186.db2.gz CVERELVSZHFMOJ-LJQANCHMSA-N 2 0 341.455 3.222 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906589950 1318120973 /nfs/dbraw/zinc/12/09/73/1318120973.db2.gz FPFXDKIKKAAYPB-OVQGTLEDSA-N 2 0 345.506 3.172 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000906586405 1318121081 /nfs/dbraw/zinc/12/10/81/1318121081.db2.gz GEKZYOKEQISMDP-UXHICEINSA-N 2 0 345.506 3.031 20 0 EGADRP C[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCC2)CC1 ZINC001021368829 1318214350 /nfs/dbraw/zinc/21/43/50/1318214350.db2.gz XGVGXKQJTDSKCV-IHWFROFDSA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)o1 ZINC001021470477 1318270833 /nfs/dbraw/zinc/27/08/33/1318270833.db2.gz WCARSTRMJKNYCC-ALOPSCKCSA-N 2 0 347.503 3.255 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960032747 1318320415 /nfs/dbraw/zinc/32/04/15/1318320415.db2.gz GCGAIVKWBNVJIQ-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960220514 1318416643 /nfs/dbraw/zinc/41/66/43/1318416643.db2.gz BXMAJEKXRXOYIZ-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700563 1318573185 /nfs/dbraw/zinc/57/31/85/1318573185.db2.gz RGDDEKDFXVTDPE-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000960642139 1318760617 /nfs/dbraw/zinc/76/06/17/1318760617.db2.gz PMFHCWVDDCVVIQ-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960678933 1318789678 /nfs/dbraw/zinc/78/96/78/1318789678.db2.gz BSHCVYXZTWGKOH-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022195581 1318837918 /nfs/dbraw/zinc/83/79/18/1318837918.db2.gz DKCBDAZUMGJMEZ-AQNXPRMDSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022202277 1318840988 /nfs/dbraw/zinc/84/09/88/1318840988.db2.gz VKZJECGBVZOKPD-LMCOJAPRSA-N 2 0 343.515 3.247 20 0 EGADRP CC(C)Oc1ccc([C@@H](CNc2cc[nH+]c(CO)c2)[NH+](C)C)cc1 ZINC000858548067 1328793016 /nfs/dbraw/zinc/79/30/16/1328793016.db2.gz QSTOPXDFIBZXFR-LJQANCHMSA-N 2 0 329.444 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022351043 1318902872 /nfs/dbraw/zinc/90/28/72/1318902872.db2.gz SKBRZSISVGHQNK-FFGOWVMKSA-N 2 0 343.515 3.105 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)C1 ZINC001022585235 1319004649 /nfs/dbraw/zinc/00/46/49/1319004649.db2.gz LTMDEBDBYJMMSJ-FRYIKTPZSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000815576625 1319018741 /nfs/dbraw/zinc/01/87/41/1319018741.db2.gz VIRGGKGOIBXDFA-OAHLLOKOSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815577948 1319019588 /nfs/dbraw/zinc/01/95/88/1319019588.db2.gz DIAMHIPRITVTTB-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001022804403 1319117632 /nfs/dbraw/zinc/11/76/32/1319117632.db2.gz MSTURLSVGCOOGA-QGZVKYPTSA-N 2 0 343.515 3.249 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001022804402 1319117901 /nfs/dbraw/zinc/11/79/01/1319117901.db2.gz MSTURLSVGCOOGA-LFGUQSLTSA-N 2 0 343.515 3.249 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+](C)C(C)C)o1 ZINC000961047100 1319170724 /nfs/dbraw/zinc/17/07/24/1319170724.db2.gz KQMLZYBORHMODF-MRXNPFEDSA-N 2 0 335.492 3.066 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188696 1319301167 /nfs/dbraw/zinc/30/11/67/1319301167.db2.gz XBWPBMINYUWRMA-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961270627 1319420537 /nfs/dbraw/zinc/42/05/37/1319420537.db2.gz LOGWRIBXNDEPIG-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000817894839 1319452842 /nfs/dbraw/zinc/45/28/42/1319452842.db2.gz QQYNYQITRFHYTM-XOBRGWDASA-N 2 0 343.471 3.020 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000817895206 1319453164 /nfs/dbraw/zinc/45/31/64/1319453164.db2.gz VCRHQANFLBXBNZ-TYCQWZJGSA-N 2 0 342.483 3.055 20 0 EGADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@H](O)c1c(F)cccc1F ZINC000817919546 1319460479 /nfs/dbraw/zinc/46/04/79/1319460479.db2.gz SRPBMLURZYSMSH-LWLIDHTLSA-N 2 0 349.425 3.290 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000817922965 1319461428 /nfs/dbraw/zinc/46/14/28/1319461428.db2.gz CBCZIBXRTSSDTB-ABSDTBQOSA-N 2 0 340.467 3.229 20 0 EGADRP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c21 ZINC000817920743 1319461455 /nfs/dbraw/zinc/46/14/55/1319461455.db2.gz VJBNXUFOWFIMQT-BBWFWOEESA-N 2 0 327.472 3.229 20 0 EGADRP O=C1OCCN1c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000817922124 1319462178 /nfs/dbraw/zinc/46/21/78/1319462178.db2.gz QRRYPSMANKXNRW-GUDVDZBRSA-N 2 0 343.471 3.044 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cc(F)cc(Cl)c1 ZINC000817926823 1319463215 /nfs/dbraw/zinc/46/32/15/1319463215.db2.gz AMTLWGUMIMKPLX-BRSBDYLESA-N 2 0 340.870 3.413 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(C(=O)OC)cc1 ZINC000817947874 1319473521 /nfs/dbraw/zinc/47/35/21/1319473521.db2.gz DMIYZUOSNJRJCQ-IBGZPJMESA-N 2 0 326.440 3.215 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817961046 1319477836 /nfs/dbraw/zinc/47/78/36/1319477836.db2.gz TWMUYVXJHPWRMU-LUKYLMHMSA-N 2 0 339.524 3.272 20 0 EGADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817974656 1319482198 /nfs/dbraw/zinc/48/21/98/1319482198.db2.gz NEHRHSLYDPGZQE-SFHVURJKSA-N 2 0 332.488 3.069 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1nc(Br)cs1 ZINC000817974902 1319482775 /nfs/dbraw/zinc/48/27/75/1319482775.db2.gz HFULPADAILQWOF-GMTAPVOTSA-N 2 0 332.311 3.321 20 0 EGADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)ncc1F ZINC000817981501 1319485471 /nfs/dbraw/zinc/48/54/71/1319485471.db2.gz SHMGQVBSFJTNEC-MNOVXSKESA-N 2 0 330.245 3.166 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001023377538 1319485953 /nfs/dbraw/zinc/48/59/53/1319485953.db2.gz PKBXXNHUQIQWSZ-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001023377318 1319486094 /nfs/dbraw/zinc/48/60/94/1319486094.db2.gz JRTPIGGXWYUCBC-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023402918 1319508858 /nfs/dbraw/zinc/50/88/58/1319508858.db2.gz WPVPUZKZQQPBPJ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414512 1319517897 /nfs/dbraw/zinc/51/78/97/1319517897.db2.gz VASGPSZZZLJEFD-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414511 1319518829 /nfs/dbraw/zinc/51/88/29/1319518829.db2.gz VASGPSZZZLJEFD-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961397722 1319553649 /nfs/dbraw/zinc/55/36/49/1319553649.db2.gz VRGJGIZEMAFXNL-YSIASYRMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961434746 1319588178 /nfs/dbraw/zinc/58/81/78/1319588178.db2.gz HHDUWFGXFNXVNB-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000818967035 1319595529 /nfs/dbraw/zinc/59/55/29/1319595529.db2.gz QFWGWTXTCXUWPI-LRDDRELGSA-N 2 0 331.287 3.348 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818979891 1319601621 /nfs/dbraw/zinc/60/16/21/1319601621.db2.gz CWKFNAWCDKELBB-BBRMVZONSA-N 2 0 330.394 3.060 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(F)c1 ZINC000819015571 1319614202 /nfs/dbraw/zinc/61/42/02/1319614202.db2.gz KHUCDPGSOPXRGG-GHTZIAJQSA-N 2 0 342.458 3.013 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000819080030 1319630449 /nfs/dbraw/zinc/63/04/49/1319630449.db2.gz DDSCLGUGSMCJOQ-CVEARBPZSA-N 2 0 330.875 3.469 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000819102600 1319636022 /nfs/dbraw/zinc/63/60/22/1319636022.db2.gz MQUGVTBCCMDZGY-WFASDCNBSA-N 2 0 332.410 3.305 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CCCC1 ZINC000819227804 1319675654 /nfs/dbraw/zinc/67/56/54/1319675654.db2.gz PZCKXDRJSFJYCW-MRXNPFEDSA-N 2 0 328.859 3.224 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819265660 1319684738 /nfs/dbraw/zinc/68/47/38/1319684738.db2.gz ATDMGBNPSPCJPS-KRWDZBQOSA-N 2 0 342.405 3.203 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632336 1319753266 /nfs/dbraw/zinc/75/32/66/1319753266.db2.gz JYCFDPULPVCSCR-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001023696351 1319820880 /nfs/dbraw/zinc/82/08/80/1319820880.db2.gz LCUXLMPNOVSVJF-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC000962270098 1319893029 /nfs/dbraw/zinc/89/30/29/1319893029.db2.gz IJLFCUVYQMQOIV-HCXYKTFWSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761515 1319909244 /nfs/dbraw/zinc/90/92/44/1319909244.db2.gz BPPXTUGPTDCRHC-HKUYNNGSSA-N 2 0 345.531 3.236 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)C1 ZINC000962311282 1319911055 /nfs/dbraw/zinc/91/10/55/1319911055.db2.gz JKPFNJLLGZUKAX-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC000962384213 1319945557 /nfs/dbraw/zinc/94/55/57/1319945557.db2.gz BEGXPFHWRZEYEK-MUYFXNHWSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809418 1319957421 /nfs/dbraw/zinc/95/74/21/1319957421.db2.gz AFUMDUOAJRHGKY-CRAIPNDOSA-N 2 0 347.503 3.408 20 0 EGADRP O[C@@]1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000820812559 1319958624 /nfs/dbraw/zinc/95/86/24/1319958624.db2.gz NLPSRDAUCNMHJC-RAFMOHDBSA-N 2 0 346.540 3.030 20 0 EGADRP Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820821443 1319962407 /nfs/dbraw/zinc/96/24/07/1319962407.db2.gz DTKXFZYHSBGLDV-INIZCTEOSA-N 2 0 343.471 3.120 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)CC1 ZINC000962481172 1319976630 /nfs/dbraw/zinc/97/66/30/1319976630.db2.gz WGTJAGIOUUNEOH-UHFFFAOYSA-N 2 0 347.547 3.092 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000822490553 1320087719 /nfs/dbraw/zinc/08/77/19/1320087719.db2.gz WRWOVSKAYAWHRD-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000825762549 1320361106 /nfs/dbraw/zinc/36/11/06/1320361106.db2.gz NOHDTKXFCDNBBL-SFHVURJKSA-N 2 0 346.515 3.408 20 0 EGADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000838964136 1320843496 /nfs/dbraw/zinc/84/34/96/1320843496.db2.gz OQFFYOODHKCANN-SFHVURJKSA-N 2 0 331.847 3.027 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000841032097 1321204797 /nfs/dbraw/zinc/20/47/97/1321204797.db2.gz KLIXEYNPWDTVEL-UHFFFAOYSA-N 2 0 346.858 3.292 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000841305376 1321251330 /nfs/dbraw/zinc/25/13/30/1321251330.db2.gz VOYHFNISHPYJGZ-UHFFFAOYSA-N 2 0 344.503 3.312 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)CCc2ccccc2)cc1 ZINC000859213141 1328946665 /nfs/dbraw/zinc/94/66/65/1328946665.db2.gz SEUKAVHJLJTNJM-NRFANRHFSA-N 2 0 326.484 3.174 20 0 EGADRP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213364 1328947282 /nfs/dbraw/zinc/94/72/82/1328947282.db2.gz HGWPZVPMSCREOJ-QGZVFWFLSA-N 2 0 345.531 3.360 20 0 EGADRP Cn1c2ccccc2nc1CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213611 1328948318 /nfs/dbraw/zinc/94/83/18/1328948318.db2.gz ZNJAGYCCYGJSQI-UHFFFAOYSA-N 2 0 336.483 3.309 20 0 EGADRP [NH3+]CCCCCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000843126224 1321474132 /nfs/dbraw/zinc/47/41/32/1321474132.db2.gz DOJPSFDIWPCOJN-UHFFFAOYSA-N 2 0 340.393 3.500 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2cc1C ZINC000843387214 1321509420 /nfs/dbraw/zinc/50/94/20/1321509420.db2.gz FQHDRVCXGLNTLE-IRXDYDNUSA-N 2 0 340.467 3.231 20 0 EGADRP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000843387087 1321509516 /nfs/dbraw/zinc/50/95/16/1321509516.db2.gz OEEFUOBGQHKIKW-INIZCTEOSA-N 2 0 329.488 3.214 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000844204652 1321578322 /nfs/dbraw/zinc/57/83/22/1321578322.db2.gz TXBKGFSEORFBJO-KRWDZBQOSA-N 2 0 343.515 3.262 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000844922889 1321658249 /nfs/dbraw/zinc/65/82/49/1321658249.db2.gz CKQIMTAWSXDTJI-SFHVURJKSA-N 2 0 345.487 3.019 20 0 EGADRP CN(Cc1ccn(-c2ccccc2)n1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000846217832 1321776817 /nfs/dbraw/zinc/77/68/17/1321776817.db2.gz DKWKUZCVZOCENU-UHFFFAOYSA-N 2 0 332.451 3.150 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848880459 1322026500 /nfs/dbraw/zinc/02/65/00/1322026500.db2.gz FJNHUYFDQXVJSG-CMDGGOBGSA-N 2 0 334.460 3.020 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000848894591 1322034572 /nfs/dbraw/zinc/03/45/72/1322034572.db2.gz NMGXZFRIKMISEA-KCUINEJTSA-N 2 0 348.487 3.314 20 0 EGADRP COC(=O)/C=C\c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000848910704 1322043427 /nfs/dbraw/zinc/04/34/27/1322043427.db2.gz NDAUJWYNTKTRFN-QXMHVHEDSA-N 2 0 342.439 3.159 20 0 EGADRP CC(C)CSCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000848992887 1322057523 /nfs/dbraw/zinc/05/75/23/1322057523.db2.gz BEXLBCJHGPJCGI-UHFFFAOYSA-N 2 0 348.560 3.154 20 0 EGADRP C[C@@H]1CCCN(C(=[NH2+])NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000849075787 1322068145 /nfs/dbraw/zinc/06/81/45/1322068145.db2.gz LJSVGVHIIMYNEG-XLIONFOSSA-N 2 0 328.504 3.155 20 0 EGADRP [NH2+]=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000849085537 1322072978 /nfs/dbraw/zinc/07/29/78/1322072978.db2.gz RUBAGKFXEJOTHV-IBGZPJMESA-N 2 0 328.504 3.299 20 0 EGADRP CC1CC[NH+](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000849090984 1322075374 /nfs/dbraw/zinc/07/53/74/1322075374.db2.gz ATAQMCHNYVWDGA-UHFFFAOYSA-N 2 0 342.409 3.051 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000849091167 1322075546 /nfs/dbraw/zinc/07/55/46/1322075546.db2.gz XJLDURXUBVBWGC-AEFFLSMTSA-N 2 0 344.503 3.279 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000849106134 1322080185 /nfs/dbraw/zinc/08/01/85/1322080185.db2.gz WJNKDVAKPXTKJA-IBGZPJMESA-N 2 0 328.504 3.406 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000849115669 1322083867 /nfs/dbraw/zinc/08/38/67/1322083867.db2.gz CZZXAUIIFMNHTD-OAHLLOKOSA-N 2 0 348.491 3.152 20 0 EGADRP CCOCOc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000850420899 1322244376 /nfs/dbraw/zinc/24/43/76/1322244376.db2.gz SVBUEOHMIQGKMY-UHFFFAOYSA-N 2 0 332.488 3.271 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000922327158 1322502363 /nfs/dbraw/zinc/50/23/63/1322502363.db2.gz ZIDJRIIQNHKKJW-HXUWFJFHSA-N 2 0 345.531 3.404 20 0 EGADRP FC(F)(F)CN1CCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922709763 1322599223 /nfs/dbraw/zinc/59/92/23/1322599223.db2.gz OBODYEYSPXFQSM-KRWDZBQOSA-N 2 0 347.469 3.400 20 0 EGADRP Cc1cccc(NC[C@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923326907 1322734690 /nfs/dbraw/zinc/73/46/90/1322734690.db2.gz OYUSNAWGIKQRDO-MSRNWOCLSA-N 2 0 328.504 3.045 20 0 EGADRP C[NH2+]CCC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923327984 1322734711 /nfs/dbraw/zinc/73/47/11/1322734711.db2.gz QMHIZKHVRMZCJB-OAQYLSRUSA-N 2 0 326.484 3.065 20 0 EGADRP CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325652 1322734888 /nfs/dbraw/zinc/73/48/88/1322734888.db2.gz FJHGAVJQHIUDBK-OTYNDTSQSA-N 2 0 327.516 3.113 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923383226 1322743230 /nfs/dbraw/zinc/74/32/30/1322743230.db2.gz VMZZFQDNMRJWHW-ATZDWAIDSA-N 2 0 337.467 3.015 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486135 1322760510 /nfs/dbraw/zinc/76/05/10/1322760510.db2.gz NOIZKYGQLACJFK-GVDBMIGSSA-N 2 0 339.483 3.076 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001023987629 1323066425 /nfs/dbraw/zinc/06/64/25/1323066425.db2.gz UVEJTZSXHINBME-JLAWEPINSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001024018479 1323080862 /nfs/dbraw/zinc/08/08/62/1323080862.db2.gz ORHLITFKSCCZDU-ROUUACIJSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924627659 1323082869 /nfs/dbraw/zinc/08/28/69/1323082869.db2.gz FUEFMHPFDKQSLU-HNNXBMFYSA-N 2 0 329.488 3.418 20 0 EGADRP CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924676242 1323107165 /nfs/dbraw/zinc/10/71/65/1323107165.db2.gz RNHMVERCSHOJBX-INIZCTEOSA-N 2 0 339.483 3.349 20 0 EGADRP CON1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000924678564 1323108239 /nfs/dbraw/zinc/10/82/39/1323108239.db2.gz CGJGDMUTUISLGW-QGZVFWFLSA-N 2 0 331.504 3.176 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000924959673 1323229085 /nfs/dbraw/zinc/22/90/85/1323229085.db2.gz LBJBASPFTUWTQU-SYNHAJSKSA-N 2 0 349.494 3.101 20 0 EGADRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ncccc1Cl ZINC000924967470 1323231785 /nfs/dbraw/zinc/23/17/85/1323231785.db2.gz WSUKDLQELZQONG-QGZVFWFLSA-N 2 0 338.927 3.193 20 0 EGADRP O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852745425 1323234126 /nfs/dbraw/zinc/23/41/26/1323234126.db2.gz UYFNQLJINKWIJG-YADHBBJMSA-N 2 0 336.479 3.420 20 0 EGADRP CCCC[C@](C)(F)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000852834490 1323247252 /nfs/dbraw/zinc/24/72/52/1323247252.db2.gz RGSNELPGQLQVBC-IBGZPJMESA-N 2 0 349.494 3.015 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853098441 1323281287 /nfs/dbraw/zinc/28/12/87/1323281287.db2.gz JNHXSTBLFISXRB-DYESRHJHSA-N 2 0 339.483 3.137 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024365802 1323338809 /nfs/dbraw/zinc/33/88/09/1323338809.db2.gz HYXRFYMGIOZPEF-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024436878 1323395123 /nfs/dbraw/zinc/39/51/23/1323395123.db2.gz JIXNFMAETFKUSO-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001024436504 1323395491 /nfs/dbraw/zinc/39/54/91/1323395491.db2.gz FFIWNOVQFXZHHW-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001024447396 1323405186 /nfs/dbraw/zinc/40/51/86/1323405186.db2.gz VVDFFXYWQPFKNQ-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024468635 1323423502 /nfs/dbraw/zinc/42/35/02/1323423502.db2.gz LYQGYGPGNCIWJI-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024513045 1323463275 /nfs/dbraw/zinc/46/32/75/1323463275.db2.gz MJVYCKJMJSHZSD-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CC2)ccc2c[nH+]cn21 ZINC001024520174 1323469544 /nfs/dbraw/zinc/46/95/44/1323469544.db2.gz FEUMHOWQKDIOBC-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CC1 ZINC001024692943 1323609878 /nfs/dbraw/zinc/60/98/78/1323609878.db2.gz UIVWDILONIBIRE-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CC2)o1 ZINC001024820408 1323726165 /nfs/dbraw/zinc/72/61/65/1323726165.db2.gz YWAZVLOPZASBJB-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001024963063 1323802838 /nfs/dbraw/zinc/80/28/38/1323802838.db2.gz GXDWTNJMVSQPRL-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)C2([NH+](C)C)CCC2)cs1 ZINC001024982596 1323812366 /nfs/dbraw/zinc/81/23/66/1323812366.db2.gz VILIILOLMXWDHF-KRWDZBQOSA-N 2 0 349.544 3.012 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024989199 1323814812 /nfs/dbraw/zinc/81/48/12/1323814812.db2.gz FHWMFWPFQYZOGH-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025011182 1323825102 /nfs/dbraw/zinc/82/51/02/1323825102.db2.gz YGGKVYIRXJHPTF-LJQANCHMSA-N 2 0 348.450 3.119 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC001025038132 1323840950 /nfs/dbraw/zinc/84/09/50/1323840950.db2.gz SAMMUEKQGNFILF-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001025067470 1323866462 /nfs/dbraw/zinc/86/64/62/1323866462.db2.gz SEPOHYKRIKOEFN-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001025067166 1323867066 /nfs/dbraw/zinc/86/70/66/1323867066.db2.gz MBCMXUYLVPUOQN-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001025123182 1323905178 /nfs/dbraw/zinc/90/51/78/1323905178.db2.gz WJHXRNQQSXGVGM-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025241574 1324035611 /nfs/dbraw/zinc/03/56/11/1324035611.db2.gz YRDJQYLHNFEPPL-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025243745 1324039880 /nfs/dbraw/zinc/03/98/80/1324039880.db2.gz QNXBGPFFKZPPRF-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP C[NH+](C)CC1(O)CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000931485501 1329128613 /nfs/dbraw/zinc/12/86/13/1329128613.db2.gz KZZPZCJMOQPHSA-UHFFFAOYSA-N 2 0 326.484 3.161 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025493077 1324345007 /nfs/dbraw/zinc/34/50/07/1324345007.db2.gz KDZMOSKTCMUZTG-HKUYNNGSSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001025525418 1324371966 /nfs/dbraw/zinc/37/19/66/1324371966.db2.gz NYJXYVKACLLQLC-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001025527575 1324373032 /nfs/dbraw/zinc/37/30/32/1324373032.db2.gz YJRSMBDWEKRHRR-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026492405 1324845638 /nfs/dbraw/zinc/84/56/38/1324845638.db2.gz LDGKTDNSWMGTGL-SOAGJPPSSA-N 2 0 343.515 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026492188 1324846212 /nfs/dbraw/zinc/84/62/12/1324846212.db2.gz FCZUMOUNGJUAST-DAWZGUTISA-N 2 0 349.544 3.138 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH2+]CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001026571909 1324904304 /nfs/dbraw/zinc/90/43/04/1324904304.db2.gz SNTRKNVVHBJJKX-QHGAOEGBSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH2+]CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001026571990 1324904768 /nfs/dbraw/zinc/90/47/68/1324904768.db2.gz XBFRUJWLPFVZEE-IVMQYODDSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026571739 1324905009 /nfs/dbraw/zinc/90/50/09/1324905009.db2.gz JQOGCEHJSPSHMP-SOAGJPPSSA-N 2 0 349.563 3.457 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2CCC([NH2+]CC3CCC3)CC2)cc1 ZINC001026576040 1324907143 /nfs/dbraw/zinc/90/71/43/1324907143.db2.gz QZAVBFPLEZVANB-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001026592492 1324918697 /nfs/dbraw/zinc/91/86/97/1324918697.db2.gz CNKQUYKTOYDHHG-XEVCZEQESA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026887675 1325062465 /nfs/dbraw/zinc/06/24/65/1325062465.db2.gz SZHLOOYWSVLGOQ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026920646 1325084348 /nfs/dbraw/zinc/08/43/48/1325084348.db2.gz GBQZATRUOJVAMT-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000925242229 1325092866 /nfs/dbraw/zinc/09/28/66/1325092866.db2.gz YJIFMZSVPRFTRG-WBVHZDCISA-N 2 0 331.460 3.349 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925241750 1325093089 /nfs/dbraw/zinc/09/30/89/1325093089.db2.gz SGJDYXVNWHGQCE-CTNGQTDRSA-N 2 0 341.499 3.426 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925457406 1325159386 /nfs/dbraw/zinc/15/93/86/1325159386.db2.gz TZSAPYSWDAGXJB-SCLBCKFNSA-N 2 0 334.410 3.411 20 0 EGADRP COc1cccc(N2CC[C@@H]([NH2+][C@H](CCC[NH3+])c3ccccc3)C2)c1 ZINC000925480635 1325168544 /nfs/dbraw/zinc/16/85/44/1325168544.db2.gz WBGJJHLLHANZTC-WIYYLYMNSA-N 2 0 339.483 3.344 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925500522 1325179688 /nfs/dbraw/zinc/17/96/88/1325179688.db2.gz DEJQVEQRLOFACT-PXNSSMCTSA-N 2 0 327.516 3.476 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000925504333 1325182366 /nfs/dbraw/zinc/18/23/66/1325182366.db2.gz LTKTYZZDTHXSAQ-FQEVSTJZSA-N 2 0 345.531 3.091 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCCN(c3ccccc3Cl)C1)[NH2+]2 ZINC000925519046 1325188585 /nfs/dbraw/zinc/18/85/85/1325188585.db2.gz BJGISFZCSBLFSY-WBOSRHFRSA-N 2 0 333.907 3.427 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000925570581 1325215963 /nfs/dbraw/zinc/21/59/63/1325215963.db2.gz BIBDTBYMPPUJHR-PIOFTJKZSA-N 2 0 329.271 3.132 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCC([NH2+]CC2CC2)CC1 ZINC000963419067 1325227109 /nfs/dbraw/zinc/22/71/09/1325227109.db2.gz CAFXZNQTTAVGQH-AFMYVXGZSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963421352 1325231227 /nfs/dbraw/zinc/23/12/27/1325231227.db2.gz QMTNYMJWPAOUQR-TVPLGVNVSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)c1ccc(C2(O)CCC([NH2+]CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000854225824 1325232094 /nfs/dbraw/zinc/23/20/94/1325232094.db2.gz AOJPWMXUTLGWAX-UHFFFAOYSA-N 2 0 328.500 3.282 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)C12CCC2 ZINC000925642567 1325245355 /nfs/dbraw/zinc/24/53/55/1325245355.db2.gz HPVNWKRZAMUTOJ-WQVCFCJDSA-N 2 0 339.405 3.144 20 0 EGADRP C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925651421 1325247770 /nfs/dbraw/zinc/24/77/70/1325247770.db2.gz CIKDUROQJBUZSV-HNNXBMFYSA-N 2 0 347.503 3.266 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C12CCC2 ZINC000925668098 1325255593 /nfs/dbraw/zinc/25/55/93/1325255593.db2.gz GSKYIEBNSHXVOJ-CABCVRRESA-N 2 0 348.288 3.332 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc(N2CCCC2)n1 ZINC000925669935 1325256386 /nfs/dbraw/zinc/25/63/86/1325256386.db2.gz ZEFGUSXWXSMSKW-UXHICEINSA-N 2 0 342.531 3.248 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854676089 1325293362 /nfs/dbraw/zinc/29/33/62/1325293362.db2.gz AVXIBSCNOVKZCD-INIZCTEOSA-N 2 0 337.552 3.266 20 0 EGADRP CN(C(=O)c1occc1C[NH+](C)C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963844090 1325409365 /nfs/dbraw/zinc/40/93/65/1325409365.db2.gz NJOVSFHDDYBHTR-UHFFFAOYSA-N 2 0 347.503 3.114 20 0 EGADRP OCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000926143904 1325446745 /nfs/dbraw/zinc/44/67/45/1325446745.db2.gz QQTINUSMNQUZOH-IHWFROFDSA-N 2 0 328.500 3.324 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926201488 1325468087 /nfs/dbraw/zinc/46/80/87/1325468087.db2.gz DFZJZCVVGVBASI-IRXDYDNUSA-N 2 0 342.487 3.018 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCC)CC1 ZINC000964151807 1325482707 /nfs/dbraw/zinc/48/27/07/1325482707.db2.gz DVTATPPSNSKEPH-CTWPCTMYSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)NC(=O)OC(C)(C)C ZINC000926328371 1325518070 /nfs/dbraw/zinc/51/80/70/1325518070.db2.gz JEBHVFLEPIPPSI-CABCVRRESA-N 2 0 335.492 3.312 20 0 EGADRP CSC1(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)CC[NH+](C)CC1 ZINC000926447352 1325558107 /nfs/dbraw/zinc/55/81/07/1325558107.db2.gz AYWGVFOQXXEJOL-HKUYNNGSSA-N 2 0 347.572 3.066 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC[NH+](C)CC1 ZINC000926449270 1325559034 /nfs/dbraw/zinc/55/90/34/1325559034.db2.gz SKQMGYBECGLBDW-MRXNPFEDSA-N 3 0 335.561 3.226 20 0 EGADRP C[N@H+](CCNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)C1CCCC1 ZINC000857117958 1325574258 /nfs/dbraw/zinc/57/42/58/1325574258.db2.gz XXGGGKBMVUACCC-IBGZPJMESA-N 2 0 343.515 3.100 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926496944 1325576064 /nfs/dbraw/zinc/57/60/64/1325576064.db2.gz BQISVGHPSORRSJ-QRWLVFNGSA-N 2 0 330.447 3.142 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027409840 1327636404 /nfs/dbraw/zinc/63/64/04/1327636404.db2.gz OTTLXWCOHXGRLN-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926693678 1327670226 /nfs/dbraw/zinc/67/02/26/1327670226.db2.gz OBUHMAJWBJOJRT-LEWJYISDSA-N 2 0 345.531 3.215 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC001027445083 1327684168 /nfs/dbraw/zinc/68/41/68/1327684168.db2.gz ZMUGKUAVKBIPMQ-UXHICEINSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027452247 1327692729 /nfs/dbraw/zinc/69/27/29/1327692729.db2.gz LMYUWAUIAVNYOB-UXHICEINSA-N 2 0 349.563 3.386 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)C1)[NH+](C)C ZINC001027459997 1327703005 /nfs/dbraw/zinc/70/30/05/1327703005.db2.gz FKGNJCIROCVDQH-WOJBJXKFSA-N 2 0 345.531 3.066 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027461489 1327707224 /nfs/dbraw/zinc/70/72/24/1327707224.db2.gz LNXKHKXRJYQHEE-RTBURBONSA-N 2 0 335.536 3.140 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(C[NH+](C)C)c1 ZINC000926769475 1327709446 /nfs/dbraw/zinc/70/94/46/1327709446.db2.gz GGFDLJCEBVUYTC-QMIHWGKISA-N 2 0 341.455 3.030 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3ccccc3[nH]1)C2 ZINC000926879103 1327752968 /nfs/dbraw/zinc/75/29/68/1327752968.db2.gz IIQRTKWRKKXAAC-NAHVHIFSSA-N 2 0 341.499 3.298 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000927036989 1327826471 /nfs/dbraw/zinc/82/64/71/1327826471.db2.gz HNQRBYGWLDMTON-UHFFFAOYSA-N 2 0 334.426 3.219 20 0 EGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000927039646 1327827546 /nfs/dbraw/zinc/82/75/46/1327827546.db2.gz VBCDMRXGZIBZHZ-VQSBYGRUSA-N 2 0 339.487 3.325 20 0 EGADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000927039202 1327828098 /nfs/dbraw/zinc/82/80/98/1327828098.db2.gz TWCCZXLEOJAWDT-ADEKHHIBSA-N 2 0 330.520 3.128 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001027564230 1327886993 /nfs/dbraw/zinc/88/69/93/1327886993.db2.gz UEMQNWATBNKTLO-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577754 1327913810 /nfs/dbraw/zinc/91/38/10/1327913810.db2.gz SKMNEFQSNJJNFL-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(C)C)C1 ZINC001027646150 1328022414 /nfs/dbraw/zinc/02/24/14/1328022414.db2.gz CSWAUWCQRLCHFB-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650931 1328032215 /nfs/dbraw/zinc/03/22/15/1328032215.db2.gz KGTWUOLLXPFUCO-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001027682556 1328081461 /nfs/dbraw/zinc/08/14/61/1328081461.db2.gz RDZGIAGVLQZMMQ-AZUAARDMSA-N 2 0 343.515 3.075 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001027694552 1328101336 /nfs/dbraw/zinc/10/13/36/1328101336.db2.gz CHHGNGHYCGTNDR-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027878776 1328345048 /nfs/dbraw/zinc/34/50/48/1328345048.db2.gz ILEUTCBBOYWDLO-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885218 1328351937 /nfs/dbraw/zinc/35/19/37/1328351937.db2.gz BNMDCHOKDBSDDD-QUCCMNQESA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001027893016 1328357358 /nfs/dbraw/zinc/35/73/58/1328357358.db2.gz KCDIOFZFBDYPTP-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027986402 1328457121 /nfs/dbraw/zinc/45/71/21/1328457121.db2.gz WCDXHDIPSDDZBO-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000866260989 1330086641 /nfs/dbraw/zinc/08/66/41/1330086641.db2.gz YLWRSSUBRLTJTA-JXFKEZNVSA-N 2 0 333.495 3.066 20 0 EGADRP Fc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866269018 1330088105 /nfs/dbraw/zinc/08/81/05/1330088105.db2.gz DKOJIFXTKAXRLQ-QRWLVFNGSA-N 2 0 332.463 3.294 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000866467819 1330116082 /nfs/dbraw/zinc/11/60/82/1330116082.db2.gz RESNMWDXRKWZGK-QGZVFWFLSA-N 2 0 341.503 3.428 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868188296 1330260545 /nfs/dbraw/zinc/26/05/45/1330260545.db2.gz VEXWLGDOUDSANE-RBUKOAKNSA-N 2 0 344.503 3.087 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(C)C)CC2(C)C)ccc2c[nH+]cn21 ZINC000940853773 1331221913 /nfs/dbraw/zinc/22/19/13/1331221913.db2.gz TVCLFVUXUVYCKZ-SFHVURJKSA-N 2 0 342.487 3.129 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158446 1331361583 /nfs/dbraw/zinc/36/15/83/1331361583.db2.gz NZMRRXLFGJJWHK-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942303033 1331898282 /nfs/dbraw/zinc/89/82/82/1331898282.db2.gz JYOKLIZEGVZFIK-DNVCBOLYSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556100 1331971218 /nfs/dbraw/zinc/97/12/18/1331971218.db2.gz VQHXVJDUPOEBGG-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557361 1331971259 /nfs/dbraw/zinc/97/12/59/1331971259.db2.gz GGXILFIHCYETSO-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[N@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557861 1331972764 /nfs/dbraw/zinc/97/27/64/1331972764.db2.gz OABNJLKAHQQQKZ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942720398 1332024747 /nfs/dbraw/zinc/02/47/47/1332024747.db2.gz IQHJBPOFEMDUNX-PXNSSMCTSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@H]1C[N@H+](CC2=CCCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821368 1332042091 /nfs/dbraw/zinc/04/20/91/1332042091.db2.gz DVKHPHGVARVRCN-PKOBYXMFSA-N 2 0 347.547 3.045 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC000943755717 1332254911 /nfs/dbraw/zinc/25/49/11/1332254911.db2.gz HOPJUCOUXLBYHM-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC000947309598 1333083948 /nfs/dbraw/zinc/08/39/48/1333083948.db2.gz GJYQXMWODTVOQG-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC000947662723 1333213007 /nfs/dbraw/zinc/21/30/07/1333213007.db2.gz LOYSKBSGFZICAM-WBVHZDCISA-N 2 0 349.519 3.360 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722004 1333240668 /nfs/dbraw/zinc/24/06/68/1333240668.db2.gz CRBSAJZATDGOAS-YLJYHZDGSA-N 2 0 345.531 3.174 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)[C@H](C)C2)CC1 ZINC000947851815 1333279552 /nfs/dbraw/zinc/27/95/52/1333279552.db2.gz AVQUTPLTLUUOBK-UYAOXDASSA-N 2 0 347.547 3.188 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000947851802 1333279629 /nfs/dbraw/zinc/27/96/29/1333279629.db2.gz ANDRPKXSDPLLIM-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000947882116 1333289896 /nfs/dbraw/zinc/28/98/96/1333289896.db2.gz OEERCOLWLSZEQA-YLJYHZDGSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947907366 1333301238 /nfs/dbraw/zinc/30/12/38/1333301238.db2.gz GZFJUGBWRBLIOL-PXNSSMCTSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000948039396 1333349654 /nfs/dbraw/zinc/34/96/54/1333349654.db2.gz GPCKCLYFUFOREC-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385605 1333504338 /nfs/dbraw/zinc/50/43/38/1333504338.db2.gz MTUIACJQIGHBCR-BHIYHBOVSA-N 2 0 337.552 3.076 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575518 1333583089 /nfs/dbraw/zinc/58/30/89/1333583089.db2.gz ZPPZHMVXKYJOGF-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948583220 1333584631 /nfs/dbraw/zinc/58/46/31/1333584631.db2.gz LKHIZYRPHOWDDY-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591207 1333587338 /nfs/dbraw/zinc/58/73/38/1333587338.db2.gz SHPTXNBJNBHSCM-SFHVURJKSA-N 2 0 340.471 3.227 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594441 1333588819 /nfs/dbraw/zinc/58/88/19/1333588819.db2.gz MENNHKLHFNDQCV-SJORKVTESA-N 2 0 346.450 3.009 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642832 1333608880 /nfs/dbraw/zinc/60/88/80/1333608880.db2.gz OJCUHVWBCAYAPQ-UXHICEINSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000948755685 1333663511 /nfs/dbraw/zinc/66/35/11/1333663511.db2.gz ILZGNEOAVKKVOW-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000948755791 1333663837 /nfs/dbraw/zinc/66/38/37/1333663837.db2.gz LQKPTOAUYPKMHE-MHJFOBGBSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767141 1333669756 /nfs/dbraw/zinc/66/97/56/1333669756.db2.gz QYYPERPITIMHGN-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829162 1333700890 /nfs/dbraw/zinc/70/08/90/1333700890.db2.gz FWMYSDBUTCLYBG-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948829443 1333701149 /nfs/dbraw/zinc/70/11/49/1333701149.db2.gz NBPLSUWRPCOVLC-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000948853758 1333709851 /nfs/dbraw/zinc/70/98/51/1333709851.db2.gz AAUKGRJTHZYOHQ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@@H](N(C)C(=O)Cc3ncc[nH]3)CC2)CC1 ZINC000948886404 1333719693 /nfs/dbraw/zinc/71/96/93/1333719693.db2.gz NLBJNIMYZLWZSQ-DAWZGUTISA-N 2 0 346.519 3.091 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC000949800881 1333926884 /nfs/dbraw/zinc/92/68/84/1333926884.db2.gz MDAKCXBDMISXIY-MHJFOBGBSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC000950367286 1334051553 /nfs/dbraw/zinc/05/15/53/1334051553.db2.gz BVOPTFSEFCFPCK-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN([C@@H](C)c3ccccc3)C2)CC[N@@H+]1C ZINC000950370694 1334052741 /nfs/dbraw/zinc/05/27/41/1334052741.db2.gz DZOCGXZTIITDFP-FFZOFVMBSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951196589 1334204169 /nfs/dbraw/zinc/20/41/69/1334204169.db2.gz YFLJQSXBSFYOLV-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000951362250 1334231272 /nfs/dbraw/zinc/23/12/72/1334231272.db2.gz NVBOPMUUAJILCH-PXNSSMCTSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000951362249 1334231534 /nfs/dbraw/zinc/23/15/34/1334231534.db2.gz NVBOPMUUAJILCH-FXAWDEMLSA-N 2 0 349.563 3.362 20 0 EGADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951628648 1334281143 /nfs/dbraw/zinc/28/11/43/1334281143.db2.gz YEPKHJKMVGBLPP-WOJBJXKFSA-N 2 0 347.547 3.118 20 0 EGADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951628491 1334281306 /nfs/dbraw/zinc/28/13/06/1334281306.db2.gz SNOPHTPFOQNZNG-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951628490 1334281639 /nfs/dbraw/zinc/28/16/39/1334281639.db2.gz SNOPHTPFOQNZNG-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417288 1335924493 /nfs/dbraw/zinc/92/44/93/1335924493.db2.gz FEFRCHAHGGFDBC-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968850392 1336067313 /nfs/dbraw/zinc/06/73/13/1336067313.db2.gz XTPCNXOMJDJUDY-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968849634 1336067899 /nfs/dbraw/zinc/06/78/99/1336067899.db2.gz BYCZRNRIOUYDOL-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858379 1336070786 /nfs/dbraw/zinc/07/07/86/1336070786.db2.gz CSWBLFIYFHLUQO-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968882512 1336079389 /nfs/dbraw/zinc/07/93/89/1336079389.db2.gz PFZHEXYQXCTQSV-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888468 1336080311 /nfs/dbraw/zinc/08/03/11/1336080311.db2.gz VQEUVHUKCFPPAR-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1Cl ZINC000968904568 1336085163 /nfs/dbraw/zinc/08/51/63/1336085163.db2.gz VRSIHIDAYROLLM-LSDHHAIUSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000968915697 1336087139 /nfs/dbraw/zinc/08/71/39/1336087139.db2.gz NTYRLEWXXPPRBG-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059807 1336133405 /nfs/dbraw/zinc/13/34/05/1336133405.db2.gz RRBMHMGWCIHBSY-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CCCCC2)C1 ZINC000969144424 1336160891 /nfs/dbraw/zinc/16/08/91/1336160891.db2.gz LNECUOQULVGBNT-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCCC2CCCC2)C1 ZINC000969144829 1336161018 /nfs/dbraw/zinc/16/10/18/1336161018.db2.gz UUQUSHZRFQTVDF-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2=CCCCC2)C1 ZINC000969144606 1336161343 /nfs/dbraw/zinc/16/13/43/1336161343.db2.gz PNWAXGJGZNUQNS-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000969156382 1336166163 /nfs/dbraw/zinc/16/61/63/1336166163.db2.gz RKCBZCZQCJJUJV-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000969458543 1336213481 /nfs/dbraw/zinc/21/34/81/1336213481.db2.gz SPBZILJXMDAOPE-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969794520 1336248095 /nfs/dbraw/zinc/24/80/95/1336248095.db2.gz WPDRRCHLIRKZBE-FXAWDEMLSA-N 2 0 347.547 3.188 20 0 EGADRP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005581270 1336375231 /nfs/dbraw/zinc/37/52/31/1336375231.db2.gz KIPIQUPCRTVWKW-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001005585342 1336376253 /nfs/dbraw/zinc/37/62/53/1336376253.db2.gz RVDXSBQCEKOGPV-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005639270 1336386739 /nfs/dbraw/zinc/38/67/39/1336386739.db2.gz HRDKVDDVJMDAIP-IEBWSBKVSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](CC3CC(C)C3)CC2)C1 ZINC001005870363 1336413437 /nfs/dbraw/zinc/41/34/37/1336413437.db2.gz JGGLDFZMLGVGQG-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873489 1336414122 /nfs/dbraw/zinc/41/41/22/1336414122.db2.gz PIVOMVVDUAPCQN-IBGZPJMESA-N 2 0 335.536 3.116 20 0 EGADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006001853 1336436044 /nfs/dbraw/zinc/43/60/44/1336436044.db2.gz SEBJYKUFPRJVOT-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006119838 1336454860 /nfs/dbraw/zinc/45/48/60/1336454860.db2.gz NMOSNTLGBDBQGR-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006119851 1336454974 /nfs/dbraw/zinc/45/49/74/1336454974.db2.gz NMOSNTLGBDBQGR-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001006441923 1336507092 /nfs/dbraw/zinc/50/70/92/1336507092.db2.gz GTHIJEHIQGFGEC-HZPDHXFCSA-N 2 0 349.544 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006445508 1336507499 /nfs/dbraw/zinc/50/74/99/1336507499.db2.gz IARIIYTYLAEBLQ-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001007457487 1336650435 /nfs/dbraw/zinc/65/04/35/1336650435.db2.gz OKHMHRFPFVWKEK-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001007495538 1336657472 /nfs/dbraw/zinc/65/74/72/1336657472.db2.gz KXFAFSBUSBQEEF-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007947429 1336737546 /nfs/dbraw/zinc/73/75/46/1336737546.db2.gz GEZAYAVYLCVHCP-APWZRJJASA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008064429 1336761640 /nfs/dbraw/zinc/76/16/40/1336761640.db2.gz VFCMVMBUSMSQOH-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001008164161 1336782788 /nfs/dbraw/zinc/78/27/88/1336782788.db2.gz RPVOWYAWXJDNDD-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001008529701 1336876672 /nfs/dbraw/zinc/87/66/72/1336876672.db2.gz GEWAWAVYWWHZOW-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001008534223 1336877623 /nfs/dbraw/zinc/87/76/23/1336877623.db2.gz WFDCQYDGZAMZKV-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206022252 1370940874 /nfs/dbraw/zinc/94/08/74/1370940874.db2.gz BQIAIVUZRLYJHV-OCCSQVGLSA-N 2 0 341.293 3.265 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001008771934 1336923947 /nfs/dbraw/zinc/92/39/47/1336923947.db2.gz WOGDQXHFHWOMRX-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001009631354 1337049596 /nfs/dbraw/zinc/04/95/96/1337049596.db2.gz AZRXDDMSSQPRNO-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001009632981 1337050562 /nfs/dbraw/zinc/05/05/62/1337050562.db2.gz FVWHRNPVDRDAPH-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014630167 1337853400 /nfs/dbraw/zinc/85/34/00/1337853400.db2.gz MRIWOGBJTAQUMI-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724631 1337885645 /nfs/dbraw/zinc/88/56/45/1337885645.db2.gz WDBOXNRBUCMUAN-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724634 1337886058 /nfs/dbraw/zinc/88/60/58/1337886058.db2.gz WDBOXNRBUCMUAN-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001014728062 1337888536 /nfs/dbraw/zinc/88/85/36/1337888536.db2.gz KNOYNUOKMXVPRE-IEBWSBKVSA-N 2 0 347.547 3.020 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001016124930 1338469999 /nfs/dbraw/zinc/46/99/99/1338469999.db2.gz WRJHCBULTQOSPF-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016688167 1338690448 /nfs/dbraw/zinc/69/04/48/1338690448.db2.gz OSXIGPJPZMFXDM-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016705985 1338696787 /nfs/dbraw/zinc/69/67/87/1338696787.db2.gz CBJKOXNMWIQNCW-QGZVFWFLSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001017152226 1338903033 /nfs/dbraw/zinc/90/30/33/1338903033.db2.gz LQXQUTWQSXPHNH-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001017225411 1338965725 /nfs/dbraw/zinc/96/57/25/1338965725.db2.gz YMLVGDIBULCBAC-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018025677 1339484669 /nfs/dbraw/zinc/48/46/69/1339484669.db2.gz JKJZDCMYUOUYEQ-YSIASYRMSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001028334937 1340572048 /nfs/dbraw/zinc/57/20/48/1340572048.db2.gz LCMBLTIQBKBSCY-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595437 1340719483 /nfs/dbraw/zinc/71/94/83/1340719483.db2.gz YUOWIJHUMWGRTM-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]CC3CCCC3)CC2)CC[N@@H+]1C ZINC001029100711 1340930040 /nfs/dbraw/zinc/93/00/40/1340930040.db2.gz CXACCBFBUGMVSB-LSTHTHJFSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029106582 1340931488 /nfs/dbraw/zinc/93/14/88/1340931488.db2.gz RFVZGHZMFZAPRI-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001029111142 1340932026 /nfs/dbraw/zinc/93/20/26/1340932026.db2.gz BTRKSWSJLNDICH-FXAWDEMLSA-N 2 0 345.531 3.052 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029344911 1340974672 /nfs/dbraw/zinc/97/46/72/1340974672.db2.gz GDGXRQGVXZPFKQ-AQNXPRMDSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1C)[NH+](C)C ZINC001029478226 1340998501 /nfs/dbraw/zinc/99/85/01/1340998501.db2.gz GDASYSCWFTZTKA-GNBUJSLZSA-N 2 0 343.515 3.071 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001029742209 1341059977 /nfs/dbraw/zinc/05/99/77/1341059977.db2.gz NTDMHCZTQFFTCE-MISYRCLQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCC3)C2)C1 ZINC001029816677 1341085013 /nfs/dbraw/zinc/08/50/13/1341085013.db2.gz LWTNZUFHZKZILT-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001029858376 1341098115 /nfs/dbraw/zinc/09/81/15/1341098115.db2.gz BOXQMIFPZXRBKS-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001029965826 1341137501 /nfs/dbraw/zinc/13/75/01/1341137501.db2.gz BORYHJIEUORASP-YLJYHZDGSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CC2)CC1 ZINC001030010233 1341157079 /nfs/dbraw/zinc/15/70/79/1341157079.db2.gz JMNKWQHLWKMATK-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001030020894 1341159781 /nfs/dbraw/zinc/15/97/81/1341159781.db2.gz IDPKLACKJBVZIV-WSTZPKSXSA-N 2 0 345.531 3.223 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031806758 1341404127 /nfs/dbraw/zinc/40/41/27/1341404127.db2.gz NXMWSCJBEBJXFF-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817400 1341405245 /nfs/dbraw/zinc/40/52/45/1341405245.db2.gz CVZDIURTLKZFLS-FQEVSTJZSA-N 2 0 348.450 3.147 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCC1 ZINC001032445941 1341512759 /nfs/dbraw/zinc/51/27/59/1341512759.db2.gz RUWVRCPVUFULFL-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001033468416 1341838478 /nfs/dbraw/zinc/83/84/78/1341838478.db2.gz ZFWMFYDBEPMCAN-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033472045 1341840024 /nfs/dbraw/zinc/84/00/24/1341840024.db2.gz RCSKUJGMGKHCHY-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074662025 1356221805 /nfs/dbraw/zinc/22/18/05/1356221805.db2.gz XXRRLYFLAAQUHH-BWPNAZKDSA-N 2 0 349.563 3.266 20 0 EGADRP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001034014892 1342152224 /nfs/dbraw/zinc/15/22/24/1342152224.db2.gz FUEJILVMYIKBCQ-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001034037764 1342177001 /nfs/dbraw/zinc/17/70/01/1342177001.db2.gz FGWUGCAVOJHTQH-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046130 1342186160 /nfs/dbraw/zinc/18/61/60/1342186160.db2.gz QEZJPHCZOJHJHQ-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034131585 1342261553 /nfs/dbraw/zinc/26/15/53/1342261553.db2.gz NQFMDYFZKRDMSB-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209587 1342319410 /nfs/dbraw/zinc/31/94/10/1342319410.db2.gz BXJCXJUMIKYMSM-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034212979 1342322587 /nfs/dbraw/zinc/32/25/87/1342322587.db2.gz SOAFPXIHLQRSPC-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001034217191 1342324270 /nfs/dbraw/zinc/32/42/70/1342324270.db2.gz OTKPUPGWWBVLOM-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034241284 1342341192 /nfs/dbraw/zinc/34/11/92/1342341192.db2.gz XGOMOSOPWFGXQK-QZTJIDSGSA-N 2 0 349.544 3.093 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034332478 1342406714 /nfs/dbraw/zinc/40/67/14/1342406714.db2.gz ZNBPKZFIOPGCDK-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034393673 1342462632 /nfs/dbraw/zinc/46/26/32/1342462632.db2.gz GWHNKOWUKBCZJM-QUCCMNQESA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034395707 1342464229 /nfs/dbraw/zinc/46/42/29/1342464229.db2.gz BWMHWGWNRFNMLJ-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034436771 1342499175 /nfs/dbraw/zinc/49/91/75/1342499175.db2.gz CGNVVJVLSVVVNH-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC)C1 ZINC001034481132 1342537759 /nfs/dbraw/zinc/53/77/59/1342537759.db2.gz QURGPKNVEDEQOW-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034659127 1342676180 /nfs/dbraw/zinc/67/61/80/1342676180.db2.gz NGOOILFEEXBMSQ-UFYCRDLUSA-N 2 0 347.547 3.378 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001034672396 1342683322 /nfs/dbraw/zinc/68/33/22/1342683322.db2.gz MHMJAERAYHWZNP-GUDVDZBRSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001034703609 1342701786 /nfs/dbraw/zinc/70/17/86/1342701786.db2.gz DRGZOTAJGITKPY-WGSAOQKQSA-N 2 0 347.547 3.378 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001034753960 1342739218 /nfs/dbraw/zinc/73/92/18/1342739218.db2.gz NMUGWJLUKPEMQU-LWYYNNOASA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001034959067 1342853269 /nfs/dbraw/zinc/85/32/69/1342853269.db2.gz QINOCNFQKKWASV-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001034977831 1342862427 /nfs/dbraw/zinc/86/24/27/1342862427.db2.gz BAFZTVKCSKGLEQ-FAFZWHIHSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001035013304 1342875972 /nfs/dbraw/zinc/87/59/72/1342875972.db2.gz GAPAFDFTGJAFQQ-QWFCFKBJSA-N 2 0 343.515 3.039 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001035051979 1342899426 /nfs/dbraw/zinc/89/94/26/1342899426.db2.gz VCYYRCDOIOIRBR-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001035070087 1342911267 /nfs/dbraw/zinc/91/12/67/1342911267.db2.gz HHUROKVCQMTDHF-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001035071510 1342911589 /nfs/dbraw/zinc/91/15/89/1342911589.db2.gz VITTXGFGEIDSFK-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035240453 1343062696 /nfs/dbraw/zinc/06/26/96/1343062696.db2.gz SRHQUTRSZJUMIB-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035240110 1343063109 /nfs/dbraw/zinc/06/31/09/1343063109.db2.gz NHRTZZOYJBWJBV-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244079 1343065826 /nfs/dbraw/zinc/06/58/26/1343065826.db2.gz ILWPFMDJZRASSI-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](CCC)C2)CC1 ZINC001035244892 1343066407 /nfs/dbraw/zinc/06/64/07/1343066407.db2.gz WFYUDAHHMZCTEG-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035259876 1343086531 /nfs/dbraw/zinc/08/65/31/1343086531.db2.gz JBKVWQVNLSKORI-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260314 1343086574 /nfs/dbraw/zinc/08/65/74/1343086574.db2.gz TVSHHGLLCRNQAY-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035259683 1343087039 /nfs/dbraw/zinc/08/70/39/1343087039.db2.gz CMNTZJIMRZYKMH-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035767423 1343179989 /nfs/dbraw/zinc/17/99/89/1343179989.db2.gz QPRWVRNVYHCJKM-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035859128 1343234833 /nfs/dbraw/zinc/23/48/33/1343234833.db2.gz QTCIDPZEMIASBV-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036137391 1343323112 /nfs/dbraw/zinc/32/31/12/1343323112.db2.gz NIJDPYFLGAVOHX-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036310538 1343412819 /nfs/dbraw/zinc/41/28/19/1343412819.db2.gz KEBJRUWBEBHCCT-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001036446001 1343492219 /nfs/dbraw/zinc/49/22/19/1343492219.db2.gz XNGSIXWIXLDDHY-PKOBYXMFSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001036445989 1343492280 /nfs/dbraw/zinc/49/22/80/1343492280.db2.gz XNGSIXWIXLDDHY-MJGOQNOKSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036556532 1343552289 /nfs/dbraw/zinc/55/22/89/1343552289.db2.gz MQBAVNDUCJJGSI-PXNSSMCTSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037107291 1343976075 /nfs/dbraw/zinc/97/60/75/1343976075.db2.gz PTGPLPPRYOFMML-UXHICEINSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1)c1ccc2c[nH+]cn2c1 ZINC001037213315 1344046371 /nfs/dbraw/zinc/04/63/71/1344046371.db2.gz IILLLLGVUQIQAC-LPHOPBHVSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001037238009 1344061426 /nfs/dbraw/zinc/06/14/26/1344061426.db2.gz XFHLUFFKELSCCQ-WOJBJXKFSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037964337 1344208194 /nfs/dbraw/zinc/20/81/94/1344208194.db2.gz SMFLFLINPQMJIR-AZUAARDMSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038241417 1344339573 /nfs/dbraw/zinc/33/95/73/1344339573.db2.gz TXLSYGLKBXMEPC-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038339365 1344387010 /nfs/dbraw/zinc/38/70/10/1344387010.db2.gz GRGFCZJVWZRBOC-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038352446 1344392575 /nfs/dbraw/zinc/39/25/75/1344392575.db2.gz HKKVPUWSAORVDO-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038354599 1344396022 /nfs/dbraw/zinc/39/60/22/1344396022.db2.gz VMKDUSRAPJCPAY-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001038518647 1344463438 /nfs/dbraw/zinc/46/34/38/1344463438.db2.gz FAZLXCJJZBMMKY-UZLBHIALSA-N 2 0 348.450 3.208 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)(C)C)cc1 ZINC001038702225 1344547955 /nfs/dbraw/zinc/54/79/55/1344547955.db2.gz DMSFQNNNWHRESB-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)c2ccccc2)CC1 ZINC001038872469 1344621764 /nfs/dbraw/zinc/62/17/64/1344621764.db2.gz PEKHUKHJGVUVNB-XLIONFOSSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001038908413 1344646790 /nfs/dbraw/zinc/64/67/90/1344646790.db2.gz JYJQMKMQVKZXIL-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCC1 ZINC001038910171 1344647330 /nfs/dbraw/zinc/64/73/30/1344647330.db2.gz VASGKRMRBQXQKS-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001039051398 1344735731 /nfs/dbraw/zinc/73/57/31/1344735731.db2.gz VPXVUYIBSKOPPD-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1)[NH+]1CCCC1 ZINC001039176235 1344868676 /nfs/dbraw/zinc/86/86/76/1344868676.db2.gz QEIODDDHFSVSNR-PMACEKPBSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233342 1344953188 /nfs/dbraw/zinc/95/31/88/1344953188.db2.gz AYUPKKXGGNCOFE-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237245 1344959902 /nfs/dbraw/zinc/95/99/02/1344959902.db2.gz GATXCWMGXDNUMT-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039288013 1344997732 /nfs/dbraw/zinc/99/77/32/1344997732.db2.gz QZUATWPCOBAZAV-NXEWRWPSSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039295746 1345001000 /nfs/dbraw/zinc/00/10/00/1345001000.db2.gz RKAZKRNYDMGWGM-AYHJJNSGSA-N 2 0 347.503 3.113 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401930 1345048493 /nfs/dbraw/zinc/04/84/93/1345048493.db2.gz YHIKMTNGACPRHE-NXHRZFHOSA-N 2 0 340.471 3.059 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001039486908 1345105488 /nfs/dbraw/zinc/10/54/88/1345105488.db2.gz VDADQLKIHWOPGO-UHFFFAOYSA-N 2 0 349.544 3.146 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001039876019 1345224278 /nfs/dbraw/zinc/22/42/78/1345224278.db2.gz KEDWLBHTSDRMDH-CADBVGFASA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001039914427 1345245147 /nfs/dbraw/zinc/24/51/47/1345245147.db2.gz PRAOEGDOAVNJSZ-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CC1 ZINC001039937951 1345251871 /nfs/dbraw/zinc/25/18/71/1345251871.db2.gz JBFAOYATSRSAQC-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040396979 1345475562 /nfs/dbraw/zinc/47/55/62/1345475562.db2.gz XLWOKPKXYQNRLT-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430343 1345492846 /nfs/dbraw/zinc/49/28/46/1345492846.db2.gz AWWVHGCVVDTKBA-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040493956 1345519669 /nfs/dbraw/zinc/51/96/69/1345519669.db2.gz RJVKEOJLPXOEBU-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545418 1345540121 /nfs/dbraw/zinc/54/01/21/1345540121.db2.gz PRDAJFSLSLKVJY-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2)C1CC1 ZINC001040725537 1345571348 /nfs/dbraw/zinc/57/13/48/1345571348.db2.gz AYXVXBLQYHGLKR-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001040727544 1345571459 /nfs/dbraw/zinc/57/14/59/1345571459.db2.gz SLEBUIZCLKUHQW-IBGZPJMESA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948749 1345607796 /nfs/dbraw/zinc/60/77/96/1345607796.db2.gz YUWNTUJKELUJKI-KDURUIRLSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2)[NH+]1CCCCC1 ZINC001040950957 1345608252 /nfs/dbraw/zinc/60/82/52/1345608252.db2.gz BWHXBIZGYMUHJP-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288569 1345694535 /nfs/dbraw/zinc/69/45/35/1345694535.db2.gz YFMBZGOIFBFXBY-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590169 1345784755 /nfs/dbraw/zinc/78/47/55/1345784755.db2.gz OMQCYZKVRNXPIL-FPOVZHCZSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041851082 1345873068 /nfs/dbraw/zinc/87/30/68/1345873068.db2.gz ANAURRNQPXDPFY-FQEVSTJZSA-N 2 0 347.503 3.069 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186114 1345973356 /nfs/dbraw/zinc/97/33/56/1345973356.db2.gz CZYNEAFHARWHNE-ZWKOTPCHSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2C[NH+](CC3CCCCCC3)C2)C1 ZINC001042910685 1346124684 /nfs/dbraw/zinc/12/46/84/1346124684.db2.gz DYACNJHXELANTL-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC001044184217 1346267882 /nfs/dbraw/zinc/26/78/82/1346267882.db2.gz XZVZWPVCCIGGLR-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2C[NH+](CCC(C)(C)C)C2)o1 ZINC001044358378 1346309400 /nfs/dbraw/zinc/30/94/00/1346309400.db2.gz BINSVPKQMZKGHO-UHFFFAOYSA-N 2 0 349.519 3.314 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001044659639 1346395324 /nfs/dbraw/zinc/39/53/24/1346395324.db2.gz PWYRPFXDXLKCEP-APWZRJJASA-N 2 0 348.450 3.117 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]CCC3CC3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001044657253 1346395421 /nfs/dbraw/zinc/39/54/21/1346395421.db2.gz KPCSSSMBEXLELP-PBHICJAKSA-N 2 0 340.471 3.026 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045068446 1346489373 /nfs/dbraw/zinc/48/93/73/1346489373.db2.gz LZRHODAFDCDKGM-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045093164 1346493362 /nfs/dbraw/zinc/49/33/62/1346493362.db2.gz PDSONKBGAQOXBS-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001045106660 1346495481 /nfs/dbraw/zinc/49/54/81/1346495481.db2.gz UMWCFHRADFPKEY-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045173884 1346514887 /nfs/dbraw/zinc/51/48/87/1346514887.db2.gz YELYMGFLEXRVMF-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001045201509 1346528990 /nfs/dbraw/zinc/52/89/90/1346528990.db2.gz CEXBESLBINLKNT-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045229907 1346536409 /nfs/dbraw/zinc/53/64/09/1346536409.db2.gz YXHHJMKDYGWENJ-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045385554 1346579962 /nfs/dbraw/zinc/57/99/62/1346579962.db2.gz SZVAYZDXWKEDMP-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001045536240 1346620638 /nfs/dbraw/zinc/62/06/38/1346620638.db2.gz MZGKBVAYPRCBND-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](F)CC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045590234 1346639012 /nfs/dbraw/zinc/63/90/12/1346639012.db2.gz VILRMXYZOGMIPD-INIZCTEOSA-N 2 0 349.494 3.081 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001045732344 1346682028 /nfs/dbraw/zinc/68/20/28/1346682028.db2.gz SFYFACYZPVKEIJ-AABGKKOBSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001045803150 1346702529 /nfs/dbraw/zinc/70/25/29/1346702529.db2.gz LCCBCFWHLIVYAD-AABGKKOBSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001045806752 1346703952 /nfs/dbraw/zinc/70/39/52/1346703952.db2.gz RNOFUPYUBOWDSE-MOPGFXCFSA-N 2 0 347.547 3.115 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045895860 1346736895 /nfs/dbraw/zinc/73/68/95/1346736895.db2.gz QZVOOXMIYGEISD-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938545 1346774568 /nfs/dbraw/zinc/77/45/68/1346774568.db2.gz FBZJEJYZKXNQQC-SFHLNBCPSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045942056 1346777734 /nfs/dbraw/zinc/77/77/34/1346777734.db2.gz QQEDSLCNGBGSDU-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945748 1346781479 /nfs/dbraw/zinc/78/14/79/1346781479.db2.gz YTQMJFLKDVVKRM-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)[NH+](C)C ZINC001045945277 1346781496 /nfs/dbraw/zinc/78/14/96/1346781496.db2.gz QRIDTWHWNYDMMS-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945751 1346781628 /nfs/dbraw/zinc/78/16/28/1346781628.db2.gz YTQMJFLKDVVKRM-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001045947647 1346783668 /nfs/dbraw/zinc/78/36/68/1346783668.db2.gz HHSIEUMXCJDAKK-OAQYLSRUSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC)C2)C1 ZINC001045978717 1346814931 /nfs/dbraw/zinc/81/49/31/1346814931.db2.gz GNUTVBYASRZZCA-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1)[NH+]1CCCC1 ZINC001045986178 1346827652 /nfs/dbraw/zinc/82/76/52/1346827652.db2.gz JGFCMAKCODQKMS-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046316023 1346932211 /nfs/dbraw/zinc/93/22/11/1346932211.db2.gz MHBXAOVNOBGYLP-TZIWHRDSSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619002 1347040524 /nfs/dbraw/zinc/04/05/24/1347040524.db2.gz LMOSKCMGPWLXTA-UTKZUKDTSA-N 2 0 345.531 3.031 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCCC1)C2 ZINC001047200942 1347240923 /nfs/dbraw/zinc/24/09/23/1347240923.db2.gz IYMTYQAVYHOVFN-UFYCRDLUSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244433 1347269954 /nfs/dbraw/zinc/26/99/54/1347269954.db2.gz RCIVEHHKUPAJFT-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001047247543 1347273209 /nfs/dbraw/zinc/27/32/09/1347273209.db2.gz KBUBCKZIVCODIU-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001047256818 1347280221 /nfs/dbraw/zinc/28/02/21/1347280221.db2.gz CGSSQWWEFCBZDL-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001047261899 1347283557 /nfs/dbraw/zinc/28/35/57/1347283557.db2.gz JGZVHPXWRFLXDO-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047266341 1347287529 /nfs/dbraw/zinc/28/75/29/1347287529.db2.gz WMLXTAXNOAWXSW-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047862036 1347392938 /nfs/dbraw/zinc/39/29/38/1347392938.db2.gz KHZCIDYZDPREIQ-GDBMZVCRSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047862043 1347392952 /nfs/dbraw/zinc/39/29/52/1347392952.db2.gz KHZCIDYZDPREIQ-ZBFHGGJFSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048257895 1347504348 /nfs/dbraw/zinc/50/43/48/1347504348.db2.gz ZNXANIVVDYXIBT-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048480618 1347562308 /nfs/dbraw/zinc/56/23/08/1347562308.db2.gz VAPBMERMLJYHGZ-AZUAARDMSA-N 2 0 347.547 3.047 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)CC1 ZINC001183034990 1387255246 /nfs/dbraw/zinc/25/52/46/1387255246.db2.gz AUCLDXNZBJHTBP-LJQANCHMSA-N 2 0 326.488 3.025 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC001049367686 1347807832 /nfs/dbraw/zinc/80/78/32/1347807832.db2.gz ASPXRFONBVQQIJ-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049462777 1347860713 /nfs/dbraw/zinc/86/07/13/1347860713.db2.gz CAFTWOQBPIAWJH-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049462776 1347860769 /nfs/dbraw/zinc/86/07/69/1347860769.db2.gz CAFTWOQBPIAWJH-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478563 1347868560 /nfs/dbraw/zinc/86/85/60/1347868560.db2.gz PTZVZCFRXGFZQL-IPMKNSEASA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049526704 1347892636 /nfs/dbraw/zinc/89/26/36/1347892636.db2.gz WJWJSLJAUPEDNN-XUVXKRRUSA-N 2 0 347.547 3.281 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001049531591 1347894184 /nfs/dbraw/zinc/89/41/84/1347894184.db2.gz CJWWGGVJGBMRRH-UFYCRDLUSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563808 1347911438 /nfs/dbraw/zinc/91/14/38/1347911438.db2.gz DTSXFRXOIZWMHO-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595028 1347928237 /nfs/dbraw/zinc/92/82/37/1347928237.db2.gz RHASPETWKPIBAM-KFKAGJAMSA-N 2 0 340.471 3.059 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672393 1347966157 /nfs/dbraw/zinc/96/61/57/1347966157.db2.gz SJJVMXAGYONRMI-LEAZDLGRSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719675 1347990126 /nfs/dbraw/zinc/99/01/26/1347990126.db2.gz RYUQRRRNEFHJSK-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049726134 1347991075 /nfs/dbraw/zinc/99/10/75/1347991075.db2.gz CPIBONFWKGIVEC-ZCNNSNEGSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764454 1348009095 /nfs/dbraw/zinc/00/90/95/1348009095.db2.gz CZWVOTFPIIJJEJ-XUVXKRRUSA-N 2 0 347.547 3.282 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768394 1348011477 /nfs/dbraw/zinc/01/14/77/1348011477.db2.gz WCRSKUATQBTIRQ-QRVBRYPASA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789497 1348023430 /nfs/dbraw/zinc/02/34/30/1348023430.db2.gz AJPVNCUBPKWQIW-PMACEKPBSA-N 2 0 343.515 3.083 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1 ZINC001049892796 1348096337 /nfs/dbraw/zinc/09/63/37/1348096337.db2.gz AHIBCXHTUCKTLU-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919385 1348112283 /nfs/dbraw/zinc/11/22/83/1348112283.db2.gz OSNPHRQPCMTGGF-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001050257503 1348220749 /nfs/dbraw/zinc/22/07/49/1348220749.db2.gz IYMQIRPVOUELPE-OXQOHEQNSA-N 2 0 343.515 3.238 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001050265226 1348222775 /nfs/dbraw/zinc/22/27/75/1348222775.db2.gz LMKNYQLLYYYOHB-JXFKEZNVSA-N 2 0 343.515 3.238 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001050351738 1348234241 /nfs/dbraw/zinc/23/42/41/1348234241.db2.gz JBLPFKINFGZHTC-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661332 1348320985 /nfs/dbraw/zinc/32/09/85/1348320985.db2.gz SHTLFDPBTGCFIS-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1)[NH+](C)C ZINC001051342179 1348438001 /nfs/dbraw/zinc/43/80/01/1348438001.db2.gz RMPOOLHIHAIDTJ-ATZDWAIDSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052369447 1348534216 /nfs/dbraw/zinc/53/42/16/1348534216.db2.gz RCTAUJUXVLELEG-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052377119 1348534991 /nfs/dbraw/zinc/53/49/91/1348534991.db2.gz NJRWMDLUJXYNML-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447029 1348544013 /nfs/dbraw/zinc/54/40/13/1348544013.db2.gz VVIOPJYBHKKEHO-OALUTQOASA-N 2 0 335.536 3.186 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052499533 1348560197 /nfs/dbraw/zinc/56/01/97/1348560197.db2.gz XBYCQKBYZKNZHQ-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052526958 1348566729 /nfs/dbraw/zinc/56/67/29/1348566729.db2.gz NVRZGTXKUGWHCI-IBGZPJMESA-N 2 0 345.531 3.086 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561523 1348579970 /nfs/dbraw/zinc/57/99/70/1348579970.db2.gz AMGHKJRVVOETTL-GOSISDBHSA-N 2 0 342.487 3.355 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052712895 1348644582 /nfs/dbraw/zinc/64/45/82/1348644582.db2.gz PKLHFIMIDFGZAE-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052711894 1348645216 /nfs/dbraw/zinc/64/52/16/1348645216.db2.gz ATNZUSPKBYAWRO-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764987 1348670106 /nfs/dbraw/zinc/67/01/06/1348670106.db2.gz UTLMMOPGDSCIOA-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC001052859459 1348705239 /nfs/dbraw/zinc/70/52/39/1348705239.db2.gz MDMOIZZVPWLNII-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001052938173 1348756762 /nfs/dbraw/zinc/75/67/62/1348756762.db2.gz SKEOVXJFYMUWJA-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954964 1348768232 /nfs/dbraw/zinc/76/82/32/1348768232.db2.gz XKDUMRMMPJVQSY-MOPGFXCFSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052955406 1348769223 /nfs/dbraw/zinc/76/92/23/1348769223.db2.gz FMZMCWWMKAKFTI-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)CC2)o1 ZINC001052968093 1348778807 /nfs/dbraw/zinc/77/88/07/1348778807.db2.gz UCHATFIZTBDDLT-MRXNPFEDSA-N 2 0 335.492 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053055063 1348862961 /nfs/dbraw/zinc/86/29/61/1348862961.db2.gz VHGYGUKEKMNADB-UXHICEINSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087668 1348911949 /nfs/dbraw/zinc/91/19/49/1348911949.db2.gz MWSINEPBPBXSNQ-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1)[NH+](C)C ZINC001054154150 1349156961 /nfs/dbraw/zinc/15/69/61/1349156961.db2.gz QEGVNXCLEDXCHP-XLIONFOSSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054244576 1349238301 /nfs/dbraw/zinc/23/83/01/1349238301.db2.gz HHAMBSMXUJLYMZ-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054284755 1349287527 /nfs/dbraw/zinc/28/75/27/1349287527.db2.gz GRYRTWDFYCIOTQ-FQEVSTJZSA-N 2 0 343.515 3.291 20 0 EGADRP CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2C1 ZINC001054285720 1349287734 /nfs/dbraw/zinc/28/77/34/1349287734.db2.gz WIYFHHBIHSTKCP-UHFFFAOYSA-N 2 0 337.467 3.014 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054290010 1349294646 /nfs/dbraw/zinc/29/46/46/1349294646.db2.gz YNVIYHBTYZSVHY-XLIONFOSSA-N 2 0 343.515 3.149 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001054296808 1349302026 /nfs/dbraw/zinc/30/20/26/1349302026.db2.gz PRNUPINADOVBGF-QWFCFKBJSA-N 2 0 343.515 3.039 20 0 EGADRP Cc1cc(Br)ncc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001232317434 1376439843 /nfs/dbraw/zinc/43/98/43/1376439843.db2.gz QNNIJXUWYRCDEU-UHFFFAOYSA-N 2 0 338.293 3.070 20 0 EGADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH2+]CC1CCCC1 ZINC001054728158 1349448616 /nfs/dbraw/zinc/44/86/16/1349448616.db2.gz YUCUPTIUKGRBSH-RHSMWYFYSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC001054854574 1349489549 /nfs/dbraw/zinc/48/95/49/1349489549.db2.gz WGQHUGQPJJPHQW-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001080318468 1357572597 /nfs/dbraw/zinc/57/25/97/1357572597.db2.gz STEHAXZBBWGVMZ-AHRSYUTCSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001080704676 1357724011 /nfs/dbraw/zinc/72/40/11/1357724011.db2.gz FMCUYCYDYFJCKI-YLJYHZDGSA-N 2 0 347.547 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071646444 1354824350 /nfs/dbraw/zinc/82/43/50/1354824350.db2.gz YLKVCPILPVMLOH-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCC1CCCC1 ZINC001071645211 1354824501 /nfs/dbraw/zinc/82/45/01/1354824501.db2.gz HSSLECAZZDOZIR-HKUYNNGSSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CCC(C)(C)C ZINC001071689197 1354851961 /nfs/dbraw/zinc/85/19/61/1354851961.db2.gz HLZWMAGVTUVIEL-RDJZCZTQSA-N 2 0 342.487 3.353 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071701667 1354860395 /nfs/dbraw/zinc/86/03/95/1354860395.db2.gz MCTBZGGUIHDFON-HKUYNNGSSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071735084 1354887228 /nfs/dbraw/zinc/88/72/28/1354887228.db2.gz GBYJPHIXJXNZDI-FUHWJXTLSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071827839 1354964874 /nfs/dbraw/zinc/96/48/74/1354964874.db2.gz FCUNEJCSMRAGBD-FXAWDEMLSA-N 2 0 345.531 3.029 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@H+](CCC(C)(C)C)C2)CC1 ZINC001071919873 1355024976 /nfs/dbraw/zinc/02/49/76/1355024976.db2.gz JLPVINQVDQBDQM-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCC3CCC3)C2)CC1 ZINC001071920878 1355025917 /nfs/dbraw/zinc/02/59/17/1355025917.db2.gz YRFHVYOXNBJKGY-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953775 1355039553 /nfs/dbraw/zinc/03/95/53/1355039553.db2.gz FMQOINZQACMDJP-HKUYNNGSSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953881 1355040238 /nfs/dbraw/zinc/04/02/38/1355040238.db2.gz GUDVAEBNOTVTGR-MJGOQNOKSA-N 2 0 335.536 3.042 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCCC1CCCC1 ZINC001072081381 1355119196 /nfs/dbraw/zinc/11/91/96/1355119196.db2.gz KRKXHMQOSMOKMF-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1CCC1CC1 ZINC001072096219 1355127585 /nfs/dbraw/zinc/12/75/85/1355127585.db2.gz VPTBSSIULBRKTB-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072813393 1355449060 /nfs/dbraw/zinc/44/90/60/1355449060.db2.gz QIOWENWHBLCOFI-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC2)cc1 ZINC001074081103 1356072628 /nfs/dbraw/zinc/07/26/28/1356072628.db2.gz BGYRDBSEOGHVEQ-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001074686207 1356224638 /nfs/dbraw/zinc/22/46/38/1356224638.db2.gz YXUIEVNOGKAARO-SXLOBPIMSA-N 2 0 343.515 3.029 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001074811798 1356250350 /nfs/dbraw/zinc/25/03/50/1356250350.db2.gz GKQDSVKESBFONY-UMGGQSCQSA-N 2 0 343.515 3.119 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C)C1 ZINC001074878369 1356276692 /nfs/dbraw/zinc/27/66/92/1356276692.db2.gz PPOGZTFFDUKYMI-LNLFQRSKSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461306 1356395337 /nfs/dbraw/zinc/39/53/37/1356395337.db2.gz CCOIVNAMNFTYQB-UYAOXDASSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324032 1356549538 /nfs/dbraw/zinc/54/95/38/1356549538.db2.gz KQPDBYVQKFJYLM-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106965 1363626034 /nfs/dbraw/zinc/62/60/34/1363626034.db2.gz UIIIMWNPRIXDLU-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)CCC1 ZINC001099107171 1363626433 /nfs/dbraw/zinc/62/64/33/1363626433.db2.gz WPJFBYHUQOGINQ-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081027398 1357786161 /nfs/dbraw/zinc/78/61/61/1357786161.db2.gz ONGMBUNMDCFOAO-LZLYRXPVSA-N 2 0 349.519 3.218 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C)C1 ZINC001082608398 1358065958 /nfs/dbraw/zinc/06/59/58/1358065958.db2.gz VKDIVKNDLJUBNV-MPLMCADHSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)c2ccccc2)C1 ZINC001183517172 1387316066 /nfs/dbraw/zinc/31/60/66/1387316066.db2.gz SRVIJOHBPZLFHL-DBXWQHBBSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CCCCC3)C[C@H]21)[NH+](C)C ZINC001084429029 1358211618 /nfs/dbraw/zinc/21/16/18/1358211618.db2.gz ICAFSEWVBMWSKV-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CCCCC3)C[C@H]21)[NH+](C)C ZINC001084639182 1358265359 /nfs/dbraw/zinc/26/53/59/1358265359.db2.gz ICAFSEWVBMWSKV-VAMGGRTRSA-N 2 0 349.563 3.076 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001085100908 1358390743 /nfs/dbraw/zinc/39/07/43/1358390743.db2.gz KAYHZFVTYMBMCW-QYZOEREBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085332235 1358470339 /nfs/dbraw/zinc/47/03/39/1358470339.db2.gz POYUYLSFJLKFNU-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639387 1358652359 /nfs/dbraw/zinc/65/23/59/1358652359.db2.gz NRTBXGZBMAKAHM-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639386 1358652744 /nfs/dbraw/zinc/65/27/44/1358652744.db2.gz NRTBXGZBMAKAHM-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001085778786 1358753799 /nfs/dbraw/zinc/75/37/99/1358753799.db2.gz HJDCFWFYMXHVQB-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782249 1358757632 /nfs/dbraw/zinc/75/76/32/1358757632.db2.gz PXKIOPPZIPGZRB-OALUTQOASA-N 2 0 335.536 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085987737 1358939314 /nfs/dbraw/zinc/93/93/14/1358939314.db2.gz KQAIITWYUSVCMG-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086084330 1358992222 /nfs/dbraw/zinc/99/22/22/1358992222.db2.gz MGUPTSHFVQADAQ-ZCFHBRKKSA-N 2 0 349.563 3.170 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001086091272 1358993350 /nfs/dbraw/zinc/99/33/50/1358993350.db2.gz QJCSFTXFEURMCW-ZGXWSNOMSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001086523003 1359131319 /nfs/dbraw/zinc/13/13/19/1359131319.db2.gz USWBBBGUJVBBMB-KESTWPANSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086883157 1359220364 /nfs/dbraw/zinc/22/03/64/1359220364.db2.gz RTPSTANVDARKHG-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921512 1359248299 /nfs/dbraw/zinc/24/82/99/1359248299.db2.gz RJJPEPTWIQPVLH-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001086932992 1359256624 /nfs/dbraw/zinc/25/66/24/1359256624.db2.gz ZYXNGRVHMGINLS-INIZCTEOSA-N 2 0 340.471 3.061 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939155 1359261594 /nfs/dbraw/zinc/26/15/94/1359261594.db2.gz JORLQAPYHWSXOV-FHWLQOOXSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001323555487 1387387286 /nfs/dbraw/zinc/38/72/86/1387387286.db2.gz RACWWJRMBCBIFT-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCC2)C1 ZINC001087204057 1359320834 /nfs/dbraw/zinc/32/08/34/1359320834.db2.gz GMMAXLKKUQTTTJ-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087725617 1359612764 /nfs/dbraw/zinc/61/27/64/1359612764.db2.gz WTEFDRCERIOJCY-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CCC1=CCCCC1 ZINC001087726829 1359613589 /nfs/dbraw/zinc/61/35/89/1359613589.db2.gz UIYWLYBVSUFVNN-YZGWKJHDSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1CC ZINC001087791899 1359648051 /nfs/dbraw/zinc/64/80/51/1359648051.db2.gz BVHDUWLIBFRMLS-IPMKNSEASA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C/C=C/Cl ZINC001087838570 1359672423 /nfs/dbraw/zinc/67/24/23/1359672423.db2.gz LKJNNTACVNDIGB-FWOBMTDDSA-N 2 0 349.906 3.083 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840938 1359675197 /nfs/dbraw/zinc/67/51/97/1359675197.db2.gz VOQQCKVXNIYLQK-RBUKOAKNSA-N 2 0 331.504 3.131 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088280298 1359825318 /nfs/dbraw/zinc/82/53/18/1359825318.db2.gz NNPDHTGYQNLETM-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088280730 1359825486 /nfs/dbraw/zinc/82/54/86/1359825486.db2.gz YOVPWRKCNJSZIR-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001088382510 1359865248 /nfs/dbraw/zinc/86/52/48/1359865248.db2.gz CZCYEDDPZWLWNY-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088413602 1359884691 /nfs/dbraw/zinc/88/46/91/1359884691.db2.gz JXWXTUWVPHQXEU-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)[NH+]1CCCCC1 ZINC001088431220 1359899175 /nfs/dbraw/zinc/89/91/75/1359899175.db2.gz MZSSLLIRODMYLK-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC001323699437 1387423497 /nfs/dbraw/zinc/42/34/97/1387423497.db2.gz XDLHJXVIWDCDOI-UHFFFAOYSA-N 2 0 338.442 3.084 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001088605469 1359988981 /nfs/dbraw/zinc/98/89/81/1359988981.db2.gz UCJGCNZFRGOKLV-BPQIPLTHSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CC1CCCCC1 ZINC001088749354 1360030211 /nfs/dbraw/zinc/03/02/11/1360030211.db2.gz XADZPBZLAMFRBC-BEFAXECRSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001088768903 1360036808 /nfs/dbraw/zinc/03/68/08/1360036808.db2.gz JMWMNLLPELHJLZ-LSTHTHJFSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001088835572 1360070164 /nfs/dbraw/zinc/07/01/64/1360070164.db2.gz CYIIQPFFCLUSRY-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CC1CCCC1 ZINC001089060519 1360152857 /nfs/dbraw/zinc/15/28/57/1360152857.db2.gz QPZOKCPLUQTODM-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001089236843 1360275443 /nfs/dbraw/zinc/27/54/43/1360275443.db2.gz YFCOQAFVULNPGE-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334517 1360348363 /nfs/dbraw/zinc/34/83/63/1360348363.db2.gz IJNOFRIONIBDEU-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382503 1360384097 /nfs/dbraw/zinc/38/40/97/1360384097.db2.gz RTHNTJKKBFAZBO-ZWKOTPCHSA-N 2 0 337.552 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089399967 1360399805 /nfs/dbraw/zinc/39/98/05/1360399805.db2.gz AEGFWLYMOJFYDV-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430817 1360422972 /nfs/dbraw/zinc/42/29/72/1360422972.db2.gz USZVNINWWSEDHR-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](C(C)C)CC(C)(C)C2)C1 ZINC001089473124 1360456437 /nfs/dbraw/zinc/45/64/37/1360456437.db2.gz SOCCBAPMVUZBCR-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089509055 1360480905 /nfs/dbraw/zinc/48/09/05/1360480905.db2.gz DIJMEVOYCFRENP-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089639391 1360552941 /nfs/dbraw/zinc/55/29/41/1360552941.db2.gz VJEVAXRSFQZVNK-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089647054 1360560002 /nfs/dbraw/zinc/56/00/02/1360560002.db2.gz RTCYWPMFYRZXJZ-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC001323873534 1387485235 /nfs/dbraw/zinc/48/52/35/1387485235.db2.gz PGGBGTFCPXQYQG-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H]([NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001091144082 1360997955 /nfs/dbraw/zinc/99/79/55/1360997955.db2.gz HZWXUUAZFYABLV-LYGPFTKASA-N 2 0 348.450 3.194 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001323992440 1387505687 /nfs/dbraw/zinc/50/56/87/1387505687.db2.gz SQILBVITOHYVOW-MRXNPFEDSA-N 2 0 335.561 3.448 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092658330 1361434104 /nfs/dbraw/zinc/43/41/04/1361434104.db2.gz PNMPMHQLHIXZAW-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092658522 1361434305 /nfs/dbraw/zinc/43/43/05/1361434305.db2.gz YKNOXAUSGOCRLU-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC001324081724 1387533698 /nfs/dbraw/zinc/53/36/98/1387533698.db2.gz PPTOVTWNCFMTNJ-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458530 1361809599 /nfs/dbraw/zinc/80/95/99/1361809599.db2.gz MOPCYTLIVOIZFG-QWFCFKBJSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001324083670 1387534659 /nfs/dbraw/zinc/53/46/59/1387534659.db2.gz XIQBEQPWLGHHBN-IEBWSBKVSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094584727 1361871013 /nfs/dbraw/zinc/87/10/13/1361871013.db2.gz DYMDFUWPBYGQPD-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001324102424 1387542989 /nfs/dbraw/zinc/54/29/89/1387542989.db2.gz WZCDSZQFBBSVFV-QXAKKESOSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094950668 1361958016 /nfs/dbraw/zinc/95/80/16/1361958016.db2.gz NHZWKDKRLHDQTD-JZXOWHBKSA-N 2 0 335.536 3.019 20 0 EGADRP CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C3)C1 ZINC001095415369 1362132967 /nfs/dbraw/zinc/13/29/67/1362132967.db2.gz YCQAUEFFVYWJLW-GXZRBYELSA-N 2 0 347.547 3.019 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC1 ZINC001096238413 1362447550 /nfs/dbraw/zinc/44/75/50/1362447550.db2.gz WYDNGJIBPAGMGB-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2(C)CC[NH+](CCCC3CCC3)CC2)CC1 ZINC001324334355 1387596393 /nfs/dbraw/zinc/59/63/93/1387596393.db2.gz KDFHPYLORPIKIZ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097218650 1362890482 /nfs/dbraw/zinc/89/04/82/1362890482.db2.gz JTNMBAFRMLTVNG-WTGUMLROSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097405620 1362974968 /nfs/dbraw/zinc/97/49/68/1362974968.db2.gz OMGIWFMXAJJIHU-YSTOQKLRSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001098463714 1363333277 /nfs/dbraw/zinc/33/32/77/1363333277.db2.gz CHVDYNFLDDWRDR-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2 ZINC001098835296 1363487633 /nfs/dbraw/zinc/48/76/33/1363487633.db2.gz NZUZEOJAFBJRGP-ZJOUEHCJSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111141 1363628359 /nfs/dbraw/zinc/62/83/59/1363628359.db2.gz SEINFRSGBHRIBL-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115769 1363632464 /nfs/dbraw/zinc/63/24/64/1363632464.db2.gz JRFHHWURWGJTMB-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CC2)CCCC1 ZINC001099154219 1363660259 /nfs/dbraw/zinc/66/02/59/1363660259.db2.gz USZPOQJQKJLQEN-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099234534 1363705440 /nfs/dbraw/zinc/70/54/40/1363705440.db2.gz JUNHSJMREQBNBI-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281763 1363730123 /nfs/dbraw/zinc/73/01/23/1363730123.db2.gz XVAFJGJFSQSHAW-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310323 1363742806 /nfs/dbraw/zinc/74/28/06/1363742806.db2.gz JTVUMQQDRVMNSN-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099520888 1363831151 /nfs/dbraw/zinc/83/11/51/1363831151.db2.gz PFJADNSWMTUKLR-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100419534 1364108572 /nfs/dbraw/zinc/10/85/72/1364108572.db2.gz WINVFHHQKZAWLJ-JVSUKQCGSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001324544623 1387664443 /nfs/dbraw/zinc/66/44/43/1387664443.db2.gz HSPUBABGUZHWQQ-RLLQIKCJSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001100678574 1364214908 /nfs/dbraw/zinc/21/49/08/1364214908.db2.gz PIWPTPRRPFXOQK-IPJUCJBFSA-N 2 0 349.563 3.029 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100731982 1364239446 /nfs/dbraw/zinc/23/94/46/1364239446.db2.gz OEYGJIQYQLXCLM-KCYMKGGUSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)cc1 ZINC001100756704 1364247996 /nfs/dbraw/zinc/24/79/96/1364247996.db2.gz JKNXODYKBRVZGU-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848212 1364290140 /nfs/dbraw/zinc/29/01/40/1364290140.db2.gz CDMKWFWMPJBITQ-JFODKEKWSA-N 2 0 349.563 3.482 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)C1 ZINC001100872861 1364305489 /nfs/dbraw/zinc/30/54/89/1364305489.db2.gz MGCYRXYNKHCYIG-HDYDNRTBSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001100887676 1364312805 /nfs/dbraw/zinc/31/28/05/1364312805.db2.gz NDYPVQZNIYOMHT-LYGPFTKASA-N 2 0 349.494 3.103 20 0 EGADRP Cc1ccc(C[NH2+]C2CC(CNC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001100890112 1364314579 /nfs/dbraw/zinc/31/45/79/1364314579.db2.gz MBDIQOKPGNXHMI-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185294914 1387673804 /nfs/dbraw/zinc/67/38/04/1387673804.db2.gz VNAVSXTUUZZTJM-FXAWDEMLSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001101037943 1364384369 /nfs/dbraw/zinc/38/43/69/1364384369.db2.gz YKCGBHARDQJZFW-NKELODKYSA-N 2 0 349.563 3.027 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001185318197 1387681658 /nfs/dbraw/zinc/68/16/58/1387681658.db2.gz USYZZJRZAUGPDC-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001101336960 1364515385 /nfs/dbraw/zinc/51/53/85/1364515385.db2.gz WVXIWCLCIDVAMM-SBHAEUEKSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001101548898 1364612449 /nfs/dbraw/zinc/61/24/49/1364612449.db2.gz PIYHPGBSJOSAFP-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001101550492 1364613462 /nfs/dbraw/zinc/61/34/62/1364613462.db2.gz LMEQXERPGAUJRG-SJLPKXTDSA-N 2 0 339.568 3.227 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001101551549 1364614264 /nfs/dbraw/zinc/61/42/64/1364614264.db2.gz PWOYRRQCXXRBOL-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001101558664 1364618415 /nfs/dbraw/zinc/61/84/15/1364618415.db2.gz AFAQPUCKGPHANK-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001101582164 1364634147 /nfs/dbraw/zinc/63/41/47/1364634147.db2.gz BMRLTBVMHQKIRR-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@](C)(NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001324618586 1387701330 /nfs/dbraw/zinc/70/13/30/1387701330.db2.gz BJJWAWOVXHTDLR-LAUBAEHRSA-N 2 0 343.515 3.121 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045089 1364821571 /nfs/dbraw/zinc/82/15/71/1364821571.db2.gz REENEFUKUAMUFJ-JCHUFIKGSA-N 2 0 349.563 3.290 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102214753 1364937826 /nfs/dbraw/zinc/93/78/26/1364937826.db2.gz CEPDCKNZNNOPBV-YZBXUTEPSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC001185416353 1387709927 /nfs/dbraw/zinc/70/99/27/1387709927.db2.gz STYCAGWUEWVRPL-VQIMIIECSA-N 2 0 345.531 3.187 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001102356412 1365020279 /nfs/dbraw/zinc/02/02/79/1365020279.db2.gz JDKCLTODUUNENU-RLLQIKCJSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430445 1365050987 /nfs/dbraw/zinc/05/09/87/1365050987.db2.gz QRMPSSQGPOCMPL-CEXWTWQISA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781940 1365215884 /nfs/dbraw/zinc/21/58/84/1365215884.db2.gz DJZRLJQNNOACCR-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CCCC(C)(C)C)C1 ZINC001324669665 1387726912 /nfs/dbraw/zinc/72/69/12/1387726912.db2.gz QUKUQYKTQLOXDI-LJQANCHMSA-N 2 0 325.541 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090042 1365375419 /nfs/dbraw/zinc/37/54/19/1365375419.db2.gz JWVBKUNQQKRQCF-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103720 1365382154 /nfs/dbraw/zinc/38/21/54/1365382154.db2.gz WDXBRHFKCZRLFE-HPFJUIBNSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185547495 1387744907 /nfs/dbraw/zinc/74/49/07/1387744907.db2.gz HZQRMIXYWUWEKI-HKVOBHHDSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185550532 1387746124 /nfs/dbraw/zinc/74/61/24/1387746124.db2.gz UGAOCVPDKPVWNU-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379047 1365525832 /nfs/dbraw/zinc/52/58/32/1365525832.db2.gz XRJCFMOPBKCYLH-JNVNVXKGSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001103495447 1365597190 /nfs/dbraw/zinc/59/71/90/1365597190.db2.gz CQPALBVMIWFMIB-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001103633565 1365691489 /nfs/dbraw/zinc/69/14/89/1365691489.db2.gz DAXHZRNLRQEIKP-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104288029 1365976762 /nfs/dbraw/zinc/97/67/62/1365976762.db2.gz RFTDLVIMEDAYIT-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291272 1365977582 /nfs/dbraw/zinc/97/75/82/1365977582.db2.gz KUHOJFALYYHGBW-SQVVFSSVSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104322326 1365980240 /nfs/dbraw/zinc/98/02/40/1365980240.db2.gz BGHVCRUYTAPTGU-NFTNHMJPSA-N 2 0 337.552 3.003 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185723574 1387785085 /nfs/dbraw/zinc/78/50/85/1387785085.db2.gz OEZSUZTWKCPMEC-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622216 1366105472 /nfs/dbraw/zinc/10/54/72/1366105472.db2.gz SZMGBZMPPYOGEX-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104641151 1366115469 /nfs/dbraw/zinc/11/54/69/1366115469.db2.gz BGHVCRUYTAPTGU-FORFBYLSSA-N 2 0 337.552 3.003 20 0 EGADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001104676629 1366127078 /nfs/dbraw/zinc/12/70/78/1366127078.db2.gz RXDMXPFBSSCQCD-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104676450 1366127354 /nfs/dbraw/zinc/12/73/54/1366127354.db2.gz KQHORQIQOWCYCQ-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1 ZINC001104803290 1366179774 /nfs/dbraw/zinc/17/97/74/1366179774.db2.gz RRNZLIZNFCDHQR-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001104938689 1366231708 /nfs/dbraw/zinc/23/17/08/1366231708.db2.gz BKYUCRLLLLAFEX-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105517972 1366505527 /nfs/dbraw/zinc/50/55/27/1366505527.db2.gz NTYCPRDSVWVPCA-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)CCC1 ZINC001105582419 1366543388 /nfs/dbraw/zinc/54/33/88/1366543388.db2.gz SMOWAMMZYHQYKD-LJQANCHMSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106321903 1366653181 /nfs/dbraw/zinc/65/31/81/1366653181.db2.gz HINXHIXFBHYUDW-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357952 1366668392 /nfs/dbraw/zinc/66/83/92/1366668392.db2.gz QQIGAXWNEDECDF-JCHUFIKGSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106515769 1366719345 /nfs/dbraw/zinc/71/93/45/1366719345.db2.gz BXLBSCZJEUJTOV-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107035565 1366862066 /nfs/dbraw/zinc/86/20/66/1366862066.db2.gz MYBXCJMDYSPTKC-IEBWSBKVSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436695 1366962730 /nfs/dbraw/zinc/96/27/30/1366962730.db2.gz LRKXGHGWSDTFGQ-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450800 1366968644 /nfs/dbraw/zinc/96/86/44/1366968644.db2.gz NLUXZLRGWKZHKT-SFHLNBCPSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)(C)C1)CC2 ZINC001107524151 1367017979 /nfs/dbraw/zinc/01/79/79/1367017979.db2.gz KIIRDKXHRFDNDZ-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCCC1)CC2 ZINC001107531018 1367023433 /nfs/dbraw/zinc/02/34/33/1367023433.db2.gz YMLIHOXWNCJLMO-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609089 1367070426 /nfs/dbraw/zinc/07/04/26/1367070426.db2.gz CBIYNAZVJSYSQN-SFHLNBCPSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)C1)CC2 ZINC001107615810 1367075265 /nfs/dbraw/zinc/07/52/65/1367075265.db2.gz MDXLIKBGPOWWCF-SDVBZNEUSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001107646746 1367091915 /nfs/dbraw/zinc/09/19/15/1367091915.db2.gz UHZAAKVGPMHVNN-TZIWHRDSSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001189906714 1367127953 /nfs/dbraw/zinc/12/79/53/1367127953.db2.gz KVGUMBIOSRCDFO-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001109464165 1367137712 /nfs/dbraw/zinc/13/77/12/1367137712.db2.gz OTOBBPYCGJQNMH-QYZOEREBSA-N 2 0 347.547 3.329 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177139 1367191666 /nfs/dbraw/zinc/19/16/66/1367191666.db2.gz PPQJGSSHAMAUNC-MJRGOJFPSA-N 2 0 335.536 3.140 20 0 EGADRP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635585 1367255507 /nfs/dbraw/zinc/25/55/07/1367255507.db2.gz JNDSDZTZMQKPHI-MIIYPZDFSA-N 2 0 347.547 3.186 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635661 1367255569 /nfs/dbraw/zinc/25/55/69/1367255569.db2.gz MOWMTTMRYRJFPV-YRXWBPOGSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191060793 1367413567 /nfs/dbraw/zinc/41/35/67/1367413567.db2.gz DKNANTGQJPDVKZ-GOSISDBHSA-N 2 0 335.536 3.138 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080534 1367419460 /nfs/dbraw/zinc/41/94/60/1367419460.db2.gz IMWFEKMKYICOBX-CLJKYYQGSA-N 2 0 349.563 3.386 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506601 1367516693 /nfs/dbraw/zinc/51/66/93/1367516693.db2.gz ADJRWOCUYGJWPT-SBUVDCAVSA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161609 1367534519 /nfs/dbraw/zinc/53/45/19/1367534519.db2.gz LTTFFBVZTYAXOH-FYQPLNBISA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001110161361 1367534568 /nfs/dbraw/zinc/53/45/68/1367534568.db2.gz BZHRMBHGLOHKKW-YDZRNGNQSA-N 2 0 349.563 3.265 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161552 1367534950 /nfs/dbraw/zinc/53/49/50/1367534950.db2.gz JDDUXVJCOBUNQP-LIAHNQMCSA-N 2 0 347.547 3.185 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161608 1367535226 /nfs/dbraw/zinc/53/52/26/1367535226.db2.gz LTTFFBVZTYAXOH-FUMNGEBKSA-N 2 0 349.563 3.265 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717460 1367553730 /nfs/dbraw/zinc/55/37/30/1367553730.db2.gz LAWITXDOHIDVAE-NVIJWMOFSA-N 2 0 335.536 3.042 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108751524 1367573712 /nfs/dbraw/zinc/57/37/12/1367573712.db2.gz VLLIHANIFZLVQF-TYTUHHLSSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764081 1367579910 /nfs/dbraw/zinc/57/99/10/1367579910.db2.gz DHDPHGFPXQPKAG-AMIRNFFCSA-N 2 0 349.563 3.290 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108771659 1367587053 /nfs/dbraw/zinc/58/70/53/1367587053.db2.gz DPJPXQCDDHUSCQ-ZCNNSNEGSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801004 1367604041 /nfs/dbraw/zinc/60/40/41/1367604041.db2.gz PXVPRMQLGJGCLR-QOJNPXKOSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108831459 1367624993 /nfs/dbraw/zinc/62/49/93/1367624993.db2.gz GDUPYYYXXQCUPO-AMIRNFFCSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946864 1367646360 /nfs/dbraw/zinc/64/63/60/1367646360.db2.gz FSTLPHCVKKKLGT-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192394865 1367771775 /nfs/dbraw/zinc/77/17/75/1367771775.db2.gz FYQWUOZMDABVRA-QZTJIDSGSA-N 2 0 339.568 3.179 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398337 1367773745 /nfs/dbraw/zinc/77/37/45/1367773745.db2.gz ORDDEOORXRYXPI-LPADLIQXSA-N 2 0 337.552 3.243 20 0 EGADRP C[C@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1O ZINC001192850324 1367887490 /nfs/dbraw/zinc/88/74/90/1367887490.db2.gz WCDLQIJGEMUWPL-RXVVDRJESA-N 2 0 330.516 3.034 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC2CC(C)C2)C1 ZINC001192905930 1367901476 /nfs/dbraw/zinc/90/14/76/1367901476.db2.gz IFECVWMYMDQLIL-ACBHZAAOSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)CC1 ZINC001110737049 1367954130 /nfs/dbraw/zinc/95/41/30/1367954130.db2.gz YDQKJHOGTARYSH-JIARVOFWSA-N 2 0 349.563 3.265 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001193290811 1367991038 /nfs/dbraw/zinc/99/10/38/1367991038.db2.gz FFMFODRPONCFQJ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408135 1368020728 /nfs/dbraw/zinc/02/07/28/1368020728.db2.gz DRVREWJIEBUXON-PZJWPPBQSA-N 2 0 345.531 3.186 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847004 1368027637 /nfs/dbraw/zinc/02/76/37/1368027637.db2.gz GYCWVXVJRKBMCY-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560255 1368061271 /nfs/dbraw/zinc/06/12/71/1368061271.db2.gz PLICVINXUZSQKC-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193612168 1368074350 /nfs/dbraw/zinc/07/43/50/1368074350.db2.gz ZZUNMRPXUQSVHZ-AZUAARDMSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001193639551 1368081713 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/nfs/dbraw/zinc/14/52/01/1368145201.db2.gz SEQUMPWVIFARFY-RTUSNTFBSA-N 2 0 347.547 3.186 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028932 1368145469 /nfs/dbraw/zinc/14/54/69/1368145469.db2.gz XNKJKEGHYFHCSQ-NFTNHMJPSA-N 2 0 349.563 3.432 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111099150 1368158332 /nfs/dbraw/zinc/15/83/32/1368158332.db2.gz SBHCMLFPGQDSQQ-YRXWBPOGSA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098660 1368158542 /nfs/dbraw/zinc/15/85/42/1368158542.db2.gz JUDIOELLUJHNLX-ZRNYENFQSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)c1ccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001194284722 1368224642 /nfs/dbraw/zinc/22/46/42/1368224642.db2.gz MNSDQRQOUMBECY-FQEVSTJZSA-N 2 0 345.531 3.183 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)C(C)C ZINC001186428604 1387940936 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FDOXKNVDOHJYMZ-ICPTVLRXSA-N 2 0 347.547 3.045 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001196023759 1368536984 /nfs/dbraw/zinc/53/69/84/1368536984.db2.gz BMCSQIOJDSOYHE-QGZVFWFLSA-N 2 0 343.531 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001196060215 1368540910 /nfs/dbraw/zinc/54/09/10/1368540910.db2.gz OVLQZVLLFVUXKG-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163468 1368559586 /nfs/dbraw/zinc/55/95/86/1368559586.db2.gz OTBDRRBEPBZWSC-UEKDZROGSA-N 2 0 335.536 3.140 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@H]1C[N@H+](CC1CCC1)C2 ZINC001111987044 1368591977 /nfs/dbraw/zinc/59/19/77/1368591977.db2.gz NWVZYZHYDIFMFE-FPOVZHCZSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC(C)CC1)C2 ZINC001112009575 1368613320 /nfs/dbraw/zinc/61/33/20/1368613320.db2.gz JRWKEUYGFUWOND-XSNSTOHYSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009522 1368613467 /nfs/dbraw/zinc/61/34/67/1368613467.db2.gz HHUICXGBSQIWCL-KDCRJJDASA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001197141331 1368753664 /nfs/dbraw/zinc/75/36/64/1368753664.db2.gz GWXNVOVEERPSRL-RTBURBONSA-N 2 0 339.568 3.323 20 0 EGADRP CCCc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC001197491696 1368824655 /nfs/dbraw/zinc/82/46/55/1368824655.db2.gz ILNAEUFYOWZULL-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001197869775 1368916330 /nfs/dbraw/zinc/91/63/30/1368916330.db2.gz BFGQUDBEMOGVCB-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529870 1368916285 /nfs/dbraw/zinc/91/62/85/1368916285.db2.gz SIQFNQAGXRRJQS-DYXWJJEUSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001112531676 1368916731 /nfs/dbraw/zinc/91/67/31/1368916731.db2.gz KWJGCNUDEOJHKH-JOEOGJHWSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198135902 1368965623 /nfs/dbraw/zinc/96/56/23/1368965623.db2.gz CFOBNZXTROGDAV-UHFFFAOYSA-N 2 0 337.552 3.367 20 0 EGADRP CCOc1ccc2c(c1)C[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC001325436435 1387971890 /nfs/dbraw/zinc/97/18/90/1387971890.db2.gz DRJUGPRLWIZZIT-LJQANCHMSA-N 2 0 340.467 3.195 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243360 1368987456 /nfs/dbraw/zinc/98/74/56/1368987456.db2.gz IMKOSCRPMNYBLR-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001198364040 1369015799 /nfs/dbraw/zinc/01/57/99/1369015799.db2.gz LJOZHQVHQHNNQI-UHFFFAOYSA-N 2 0 347.547 3.287 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001186604327 1387983525 /nfs/dbraw/zinc/98/35/25/1387983525.db2.gz CWOJKGYOQYAMHP-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](CCC3CC3)CC2)CC1 ZINC001186605910 1387984828 /nfs/dbraw/zinc/98/48/28/1387984828.db2.gz VOHDAHUZIRKZPA-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1C ZINC001199170870 1369188404 /nfs/dbraw/zinc/18/84/04/1369188404.db2.gz PCHMIOMUSHRWSW-SREVYHEPSA-N 2 0 329.532 3.241 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](CCC3CC3)CC2)CC1 ZINC001186605909 1387985366 /nfs/dbraw/zinc/98/53/66/1387985366.db2.gz VOHDAHUZIRKZPA-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156682 1369233463 /nfs/dbraw/zinc/23/34/63/1369233463.db2.gz RQYONAPOHFSLDT-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402830 1369401189 /nfs/dbraw/zinc/40/11/89/1369401189.db2.gz GZSOGOKKVCMYCK-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001200621296 1369401316 /nfs/dbraw/zinc/40/13/16/1369401316.db2.gz HJNYKOIIRNSECT-AZUAARDMSA-N 2 0 330.516 3.346 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001186748627 1388003817 /nfs/dbraw/zinc/00/38/17/1388003817.db2.gz XJAUSLTZVDGMNT-QGZVFWFLSA-N 2 0 340.471 3.113 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001201268380 1369507884 /nfs/dbraw/zinc/50/78/84/1369507884.db2.gz YISUJTOUQPFTAW-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201503386 1369558876 /nfs/dbraw/zinc/55/88/76/1369558876.db2.gz PDKQQXZTIVQJMM-QMMLZNLJSA-N 2 0 334.548 3.493 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113676303 1369560925 /nfs/dbraw/zinc/56/09/25/1369560925.db2.gz NJPBJPHXYPVWKT-LJQANCHMSA-N 2 0 343.515 3.076 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(Cc4ccccc4)no3)cc[nH+]2)CC1 ZINC001201648066 1369596131 /nfs/dbraw/zinc/59/61/31/1369596131.db2.gz HUQXWXLQNVECLE-UHFFFAOYSA-N 2 0 349.438 3.156 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccccc1)C2 ZINC001201661083 1369600999 /nfs/dbraw/zinc/60/09/99/1369600999.db2.gz NYTPYRGPHMTHIO-YADHBBJMSA-N 2 0 342.527 3.300 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3c(O)ccc4ccccc43)cc[nH+]2)CC1 ZINC001201666763 1369601722 /nfs/dbraw/zinc/60/17/22/1369601722.db2.gz ZRUUCWMCAZXRBB-UHFFFAOYSA-N 2 0 334.423 3.436 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001202145089 1369700988 /nfs/dbraw/zinc/70/09/88/1369700988.db2.gz RWFNFVIRDZKWNC-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)CC[N@@H+]1C ZINC001202178311 1369708692 /nfs/dbraw/zinc/70/86/92/1369708692.db2.gz GRKNQVGJTIYGDV-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001202238331 1369720756 /nfs/dbraw/zinc/72/07/56/1369720756.db2.gz CBSXMDAKGIYABR-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202473656 1369782876 /nfs/dbraw/zinc/78/28/76/1369782876.db2.gz MZEINMHXIOUALL-SFHVURJKSA-N 2 0 325.541 3.268 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001202707848 1369859880 /nfs/dbraw/zinc/85/98/80/1369859880.db2.gz JUSXFDPSQGKHER-KRWDZBQOSA-N 2 0 348.535 3.269 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001202765663 1369883767 /nfs/dbraw/zinc/88/37/67/1369883767.db2.gz YZYZJCUGPWCVHL-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202872255 1369913800 /nfs/dbraw/zinc/91/38/00/1369913800.db2.gz CTBZEQKICLBGJD-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001202973150 1369942554 /nfs/dbraw/zinc/94/25/54/1369942554.db2.gz BOEPURWJAKVJBH-SOFGYWHQSA-N 2 0 337.552 3.435 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)[nH]n1 ZINC001203071841 1369973294 /nfs/dbraw/zinc/97/32/94/1369973294.db2.gz OYZIBWDPUNAYEH-GOSISDBHSA-N 2 0 328.460 3.188 20 0 EGADRP CC(C)[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203105017 1369984584 /nfs/dbraw/zinc/98/45/84/1369984584.db2.gz VIFJWKNBQWWYLM-SJORKVTESA-N 2 0 335.536 3.065 20 0 EGADRP C[N@@H+](Cc1cccc2nonc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001203137361 1369994954 /nfs/dbraw/zinc/99/49/54/1369994954.db2.gz FWOGCVCGTGTDIK-QGZVFWFLSA-N 2 0 336.439 3.177 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624306 1369998916 /nfs/dbraw/zinc/99/89/16/1369998916.db2.gz PEJLSWITXRMWPM-KXTWHKPSSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC001203171312 1370008508 /nfs/dbraw/zinc/00/85/08/1370008508.db2.gz UYCCPBQAAVDHLQ-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP Cc1cncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001203180525 1370012494 /nfs/dbraw/zinc/01/24/94/1370012494.db2.gz MZEDHNYUDMCBDL-PMACEKPBSA-N 2 0 336.483 3.129 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC001203203790 1370024125 /nfs/dbraw/zinc/02/41/25/1370024125.db2.gz QYMGQTJXGUPCPC-UHFFFAOYSA-N 2 0 345.531 3.034 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001203214563 1370027977 /nfs/dbraw/zinc/02/79/77/1370027977.db2.gz LQAHUDYJMVUJML-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCc1nc(C)c(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001203246135 1370037919 /nfs/dbraw/zinc/03/79/19/1370037919.db2.gz CEXXABPSNVWWPW-SFHVURJKSA-N 2 0 326.488 3.234 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312755 1370077703 /nfs/dbraw/zinc/07/77/03/1370077703.db2.gz UJYMXDHAWOUJEC-IAGOWNOFSA-N 2 0 347.503 3.162 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325306 1370082778 /nfs/dbraw/zinc/08/27/78/1370082778.db2.gz LSXFLWKLRQRKGJ-IKSUFZCESA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCCC(C)(C)C)C23CCC3)CC1 ZINC001203334144 1370087497 /nfs/dbraw/zinc/08/74/97/1370087497.db2.gz YGKUXPPGJCUOSP-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001203355062 1370095754 /nfs/dbraw/zinc/09/57/54/1370095754.db2.gz KNOGQWRUHVLNID-MRXNPFEDSA-N 2 0 346.519 3.024 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001203357637 1370096641 /nfs/dbraw/zinc/09/66/41/1370096641.db2.gz MDFBLBJREFUALB-QFBILLFUSA-N 2 0 334.467 3.421 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828590 1370101122 /nfs/dbraw/zinc/10/11/22/1370101122.db2.gz GUDRXCNFFBEADA-WCIQWLHISA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccc(C[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)cc1C ZINC001203407055 1370114712 /nfs/dbraw/zinc/11/47/12/1370114712.db2.gz BXLISWWSJNPKSM-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001203407051 1370114848 /nfs/dbraw/zinc/11/48/48/1370114848.db2.gz BKBXLJLIVLOQIZ-KRWDZBQOSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001203431471 1370123558 /nfs/dbraw/zinc/12/35/58/1370123558.db2.gz JCVCXOQURBFPHA-JXMROGBWSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001203443414 1370128799 /nfs/dbraw/zinc/12/87/99/1370128799.db2.gz UBZIOUPRYXBEAP-QGZVFWFLSA-N 2 0 331.504 3.060 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203462549 1370134850 /nfs/dbraw/zinc/13/48/50/1370134850.db2.gz ODKDGDYNYJOHBZ-XOIGSVRCSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001114921819 1370151221 /nfs/dbraw/zinc/15/12/21/1370151221.db2.gz UCNODGXDEOLTCE-ZSYWTGECSA-N 2 0 349.563 3.122 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203630289 1370193058 /nfs/dbraw/zinc/19/30/58/1370193058.db2.gz FRAOIFDYAWBCMG-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203739957 1370243562 /nfs/dbraw/zinc/24/35/62/1370243562.db2.gz MRENXDUZUMCTBF-ARJAWSKDSA-N 2 0 335.536 3.189 20 0 EGADRP CC1CCC(C[NH2+]C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001203877224 1370297685 /nfs/dbraw/zinc/29/76/85/1370297685.db2.gz SLYMJIADFODBKZ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203888030 1370300164 /nfs/dbraw/zinc/30/01/64/1370300164.db2.gz HOKMUKNFEOZCKV-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203928103 1370318134 /nfs/dbraw/zinc/31/81/34/1370318134.db2.gz XDCRVSBZRGXQNT-FQEVSTJZSA-N 2 0 329.488 3.485 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001203961260 1370331869 /nfs/dbraw/zinc/33/18/69/1370331869.db2.gz DLYSRYABJNOLNH-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC[C@]1(C)O ZINC001204263112 1370425144 /nfs/dbraw/zinc/42/51/44/1370425144.db2.gz GRMALGYSFQYHBO-PXNSSMCTSA-N 2 0 334.504 3.000 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCCO3)cc1 ZINC001204263518 1370425715 /nfs/dbraw/zinc/42/57/15/1370425715.db2.gz MPBXETVPUSJQSD-FQEVSTJZSA-N 2 0 332.488 3.162 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)cc1 ZINC001204263583 1370426268 /nfs/dbraw/zinc/42/62/68/1370426268.db2.gz NKBBGSUUDOPSLV-HXUWFJFHSA-N 2 0 334.504 3.000 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCCCC1 ZINC001115450981 1370459380 /nfs/dbraw/zinc/45/93/80/1370459380.db2.gz WJVCVYMKMKZFKO-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CCc1ccc(CN2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)o1 ZINC001204391131 1370463440 /nfs/dbraw/zinc/46/34/40/1370463440.db2.gz NGZPGTZLXIJKNL-YLJYHZDGSA-N 2 0 332.488 3.022 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535488 1370532230 /nfs/dbraw/zinc/53/22/30/1370532230.db2.gz YAPLOYGIMOWHNU-IAGOWNOFSA-N 2 0 341.515 3.016 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536740 1370533365 /nfs/dbraw/zinc/53/33/65/1370533365.db2.gz FXJNEYGACUZTJI-ROUUACIJSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537137 1370534112 /nfs/dbraw/zinc/53/41/12/1370534112.db2.gz YAJGYAGCEIFNQF-MOPGFXCFSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115562645 1370562219 /nfs/dbraw/zinc/56/22/19/1370562219.db2.gz DJWXJPDKGWRMIP-UBAGTECSSA-N 2 0 341.927 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115562563 1370562418 /nfs/dbraw/zinc/56/24/18/1370562418.db2.gz AAMYZQUGJIPUQY-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP c1ccc(COc2ccc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)cn2)cc1 ZINC001204750370 1370564368 /nfs/dbraw/zinc/56/43/68/1370564368.db2.gz JHQSGVBKMIFFJL-UHFFFAOYSA-N 2 0 346.434 3.132 20 0 EGADRP COc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1OCC1CC1 ZINC001204748278 1370564630 /nfs/dbraw/zinc/56/46/30/1370564630.db2.gz HOISUGCMDZISDR-UHFFFAOYSA-N 2 0 344.499 3.450 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115573650 1370576575 /nfs/dbraw/zinc/57/65/75/1370576575.db2.gz SFZYBKXFOSPUFF-SFHVURJKSA-N 2 0 337.552 3.458 20 0 EGADRP c1c(CN2CC[NH+](CC3CCCCC3)CC2)sc2c1C[NH2+]CC2 ZINC001204864469 1370592662 /nfs/dbraw/zinc/59/26/62/1370592662.db2.gz UWKHYZYPLQWQKN-UHFFFAOYSA-N 2 0 333.545 3.092 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115592172 1370593176 /nfs/dbraw/zinc/59/31/76/1370593176.db2.gz XEQGCSFTSANJLM-MOPGFXCFSA-N 2 0 347.547 3.378 20 0 EGADRP COc1ccc(CC[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC001204869996 1370593987 /nfs/dbraw/zinc/59/39/87/1370593987.db2.gz LHOAEULSDJQTIP-UHFFFAOYSA-N 2 0 340.467 3.024 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)Cc2ccccc21 ZINC001205164502 1370666879 /nfs/dbraw/zinc/66/68/79/1370666879.db2.gz GUVFZOGNZKZBQN-GOSISDBHSA-N 2 0 335.495 3.211 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696003 1370677214 /nfs/dbraw/zinc/67/72/14/1370677214.db2.gz ANDBBSNMAQTZDU-SREVYHEPSA-N 2 0 349.563 3.483 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697518 1370678949 /nfs/dbraw/zinc/67/89/49/1370678949.db2.gz FRCRQNCSFSGAHI-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001205210652 1370682524 /nfs/dbraw/zinc/68/25/24/1370682524.db2.gz QGTOKALCIGMMDM-HXUWFJFHSA-N 2 0 326.440 3.155 20 0 EGADRP c1cc2c(cccc2C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)[nH]1 ZINC001205263424 1370699630 /nfs/dbraw/zinc/69/96/30/1370699630.db2.gz NVAWIPTXJCXNKX-KDURUIRLSA-N 2 0 332.451 3.127 20 0 EGADRP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]c3cc(Br)ncc23)CC1 ZINC001205280693 1370705143 /nfs/dbraw/zinc/70/51/43/1370705143.db2.gz GHDJYSCRILRTCQ-HNNXBMFYSA-N 2 0 337.265 3.029 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205285444 1370706347 /nfs/dbraw/zinc/70/63/47/1370706347.db2.gz WOOLWMHOSIRRPP-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285350 1370706805 /nfs/dbraw/zinc/70/68/05/1370706805.db2.gz WGYMHWRWOLKQEQ-JGAFRWBPSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1)[NH+](CC)CC ZINC001115726924 1370707757 /nfs/dbraw/zinc/70/77/57/1370707757.db2.gz XSSFXFQNPLSQJW-ISBHARSQSA-N 2 0 343.943 3.268 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729715 1370710859 /nfs/dbraw/zinc/71/08/59/1370710859.db2.gz QFVVFABHBHBGPR-PYTPGESOSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115729946 1370712358 /nfs/dbraw/zinc/71/23/58/1370712358.db2.gz YTOVHGOZNITVEF-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001205306794 1370716093 /nfs/dbraw/zinc/71/60/93/1370716093.db2.gz YEALRLVWJFKKPQ-UHFFFAOYSA-N 2 0 341.540 3.390 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC3CCCC3)CCCCC2)CC1 ZINC001115760306 1370744626 /nfs/dbraw/zinc/74/46/26/1370744626.db2.gz LTNDDJLRNLJMMV-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205420263 1370749063 /nfs/dbraw/zinc/74/90/63/1370749063.db2.gz MMRZMTABZNMIOR-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461349 1370762897 /nfs/dbraw/zinc/76/28/97/1370762897.db2.gz HMNAJUBNBMEKFN-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483452 1370768306 /nfs/dbraw/zinc/76/83/06/1370768306.db2.gz DVVASTJOAFRHAF-HMECNJMJSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483829 1370769616 /nfs/dbraw/zinc/76/96/16/1370769616.db2.gz TUUYQUDCDGCJAB-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518744 1370778808 /nfs/dbraw/zinc/77/88/08/1370778808.db2.gz JLOUPPQGEDKAHV-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205526141 1370781755 /nfs/dbraw/zinc/78/17/55/1370781755.db2.gz GPDFEWQDVPQFNB-ZMBJWTFHSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205545488 1370787180 /nfs/dbraw/zinc/78/71/80/1370787180.db2.gz IAEQDVOBKBIDBL-UXHICEINSA-N 2 0 333.495 3.194 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CCCC(C)C)CCCCC1 ZINC001115805700 1370789322 /nfs/dbraw/zinc/78/93/22/1370789322.db2.gz CBKIGOWTQDHEBB-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205559449 1370791529 /nfs/dbraw/zinc/79/15/29/1370791529.db2.gz QYXHQCVOCKWJKK-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570469 1370795463 /nfs/dbraw/zinc/79/54/63/1370795463.db2.gz KJMPRHPEXDJBGO-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP Cc1sc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205579190 1370798851 /nfs/dbraw/zinc/79/88/51/1370798851.db2.gz KZQWDTIBWNLPBB-ZDUSSCGKSA-N 2 0 335.286 3.472 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cccnc2OCc2ccccc2)CC1 ZINC001205591400 1370802657 /nfs/dbraw/zinc/80/26/57/1370802657.db2.gz LYUYGPXVXCHWGN-FQEVSTJZSA-N 2 0 343.446 3.314 20 0 EGADRP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205591117 1370802779 /nfs/dbraw/zinc/80/27/79/1370802779.db2.gz DTSCBVGONHDOJV-OAHLLOKOSA-N 2 0 334.357 3.367 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(Br)ccc2F)CC[C@H]1C[NH3+] ZINC001205601010 1370806968 /nfs/dbraw/zinc/80/69/68/1370806968.db2.gz CUAKVJZAKXOUEW-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)CC[C@H]1C[NH3+] ZINC001205601646 1370806804 /nfs/dbraw/zinc/80/68/04/1370806804.db2.gz FPGPFASQNMOZBW-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(Br)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603017 1370807989 /nfs/dbraw/zinc/80/79/89/1370807989.db2.gz MRQQLCCHWJWPBZ-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP Cc1ccc(F)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001205616840 1370811636 /nfs/dbraw/zinc/81/16/36/1370811636.db2.gz LDFYRFAICPTLCL-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205637406 1370821981 /nfs/dbraw/zinc/82/19/81/1370821981.db2.gz GVUUDQSINJKMGT-HUUCEWRRSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC[C@H]1C[NH3+] ZINC001205652437 1370828375 /nfs/dbraw/zinc/82/83/75/1370828375.db2.gz PPYOFZIMUYPARK-NEPJUHHUSA-N 2 0 340.393 3.389 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)n21 ZINC001205651615 1370828635 /nfs/dbraw/zinc/82/86/35/1370828635.db2.gz HKUJQCSQNOMOJU-HUUCEWRRSA-N 2 0 332.517 3.253 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205860576 1370895728 /nfs/dbraw/zinc/89/57/28/1370895728.db2.gz LLYLWDWESHJBOV-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001205982558 1370929322 /nfs/dbraw/zinc/92/93/22/1370929322.db2.gz MHTRJWNWDFGGBP-RXVVDRJESA-N 3 0 329.532 3.205 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(F)c2Br)CCC[C@H]1C[NH3+] ZINC001205994081 1370933170 /nfs/dbraw/zinc/93/31/70/1370933170.db2.gz IYWXDASFQPOYOO-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CCC[C@H]1C[NH3+] ZINC001206003678 1370935685 /nfs/dbraw/zinc/93/56/85/1370935685.db2.gz LATWMKIVZXSGFH-AAEUAGOBSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1OC(F)(F)F ZINC001206011498 1370938284 /nfs/dbraw/zinc/93/82/84/1370938284.db2.gz CVSJXKOKGROQST-JSGCOSHPSA-N 2 0 346.393 3.401 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206023366 1370941416 /nfs/dbraw/zinc/94/14/16/1370941416.db2.gz OCHDSWYWJUIIAI-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc2c1NC(C)(C)C=C2 ZINC001206211660 1370993902 /nfs/dbraw/zinc/99/39/02/1370993902.db2.gz OLAWQLMSNIGDKR-JKSUJKDBSA-N 2 0 333.451 3.174 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001206292890 1371013855 /nfs/dbraw/zinc/01/38/55/1371013855.db2.gz FKVVGFRUYFEKKG-LEWJYISDSA-N 3 0 329.532 3.350 20 0 EGADRP Cc1nc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1Br ZINC001206318560 1371019756 /nfs/dbraw/zinc/01/97/56/1371019756.db2.gz RFDLAKOEAVANPO-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1Br ZINC001206319149 1371019990 /nfs/dbraw/zinc/01/99/90/1371019990.db2.gz YINCFEROODFTSA-MRXNPFEDSA-N 2 0 341.293 3.409 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318320 1371020110 /nfs/dbraw/zinc/02/01/10/1371020110.db2.gz PHGWTTNMNURHSE-QGZVFWFLSA-N 2 0 325.884 3.473 20 0 EGADRP Cc1cc(Br)cnc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318291 1371020456 /nfs/dbraw/zinc/02/04/56/1371020456.db2.gz PADNEXDTQUVKFK-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482079 1371068247 /nfs/dbraw/zinc/06/82/47/1371068247.db2.gz OMNMAVDFDYTLIF-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP COc1c(Br)cc(C)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506439 1371076791 /nfs/dbraw/zinc/07/67/91/1371076791.db2.gz AQABBAJZWADKTO-UHFFFAOYSA-N 2 0 341.293 3.327 20 0 EGADRP C[C@@]1(C[NH3+])CCCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001206540139 1371087591 /nfs/dbraw/zinc/08/75/91/1371087591.db2.gz AMCUNDJFUUSYQR-SFTDATJTSA-N 2 0 329.532 3.492 20 0 EGADRP C[NH+]1CCC(COc2c(F)cccc2Nc2cc[nH+]c(N)c2)CC1 ZINC001206578200 1371098611 /nfs/dbraw/zinc/09/86/11/1371098611.db2.gz KHNHAVJUKKIAQZ-UHFFFAOYSA-N 2 0 330.407 3.267 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC001117954109 1371112999 /nfs/dbraw/zinc/11/29/99/1371112999.db2.gz ZQUVYWPAVWHEIU-INIZCTEOSA-N 2 0 328.456 3.362 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206648641 1371119077 /nfs/dbraw/zinc/11/90/77/1371119077.db2.gz NYTIFBHCITWCMM-INIZCTEOSA-N 2 0 325.456 3.318 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871297 1371198562 /nfs/dbraw/zinc/19/85/62/1371198562.db2.gz GMLZQTBABCWNDV-XSXCZSQGSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206948130 1371240475 /nfs/dbraw/zinc/24/04/75/1371240475.db2.gz WGOXAQIELYSMMN-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206952223 1371242394 /nfs/dbraw/zinc/24/23/94/1371242394.db2.gz FCHZWSCDDZFDND-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ncc3ccccn32)o1 ZINC001207050129 1371277181 /nfs/dbraw/zinc/27/71/81/1371277181.db2.gz JSVVPHINRGUNGN-RBUKOAKNSA-N 2 0 336.439 3.085 20 0 EGADRP Cc1nccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001207169348 1371317947 /nfs/dbraw/zinc/31/79/47/1371317947.db2.gz IZBFMICKAJYUGF-PMACEKPBSA-N 2 0 336.483 3.129 20 0 EGADRP Clc1ccc([C@H]2C[C@H]2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001207189757 1371323811 /nfs/dbraw/zinc/32/38/11/1371323811.db2.gz DWVWALHIPRCZQE-AZUAARDMSA-N 2 0 347.934 3.157 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207279664 1371348640 /nfs/dbraw/zinc/34/86/40/1371348640.db2.gz OMPJTKMZPIOMDX-UHFFFAOYSA-N 2 0 341.540 3.153 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001207288954 1371351970 /nfs/dbraw/zinc/35/19/70/1371351970.db2.gz FJMKUIXTTXHLQX-RTWAWAEBSA-N 2 0 328.500 3.400 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@H](N4CCCCC4)C3)CC2)cc1 ZINC001207291807 1371352284 /nfs/dbraw/zinc/35/22/84/1371352284.db2.gz YXDFHBQSQIQSGP-QFIPXVFZSA-N 2 0 341.543 3.459 20 0 EGADRP CN(Cc1cccc(F)c1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399187 1371383582 /nfs/dbraw/zinc/38/35/82/1371383582.db2.gz GYKLJJSLZQRSHL-UHFFFAOYSA-N 2 0 333.495 3.064 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207398652 1371383978 /nfs/dbraw/zinc/38/39/78/1371383978.db2.gz GELTYFNIGMGHGK-UHFFFAOYSA-N 2 0 326.488 3.095 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001207398752 1371384307 /nfs/dbraw/zinc/38/43/07/1371384307.db2.gz MRWGKZPTDIJZIM-UHFFFAOYSA-N 2 0 336.426 3.201 20 0 EGADRP C[NH+]1CCC(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001207399839 1371385371 /nfs/dbraw/zinc/38/53/71/1371385371.db2.gz VYVLJAYLFNPEJV-DXBBTUNJSA-N 2 0 343.559 3.223 20 0 EGADRP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC001207436390 1371395525 /nfs/dbraw/zinc/39/55/25/1371395525.db2.gz AZPFJHQNCZVXBA-FPOVZHCZSA-N 2 0 327.516 3.320 20 0 EGADRP c1csc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCOC2)CC3)c1 ZINC001207464975 1371402659 /nfs/dbraw/zinc/40/26/59/1371402659.db2.gz UDQCVFIPHUXEQG-QGZVFWFLSA-N 2 0 334.529 3.463 20 0 EGADRP CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCCCC1 ZINC001119994002 1371446763 /nfs/dbraw/zinc/44/67/63/1371446763.db2.gz YOKYUSPPYLSZMB-GOSISDBHSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001120005769 1371452094 /nfs/dbraw/zinc/45/20/94/1371452094.db2.gz WOMGEYYQMSQWQQ-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207616634 1371453307 /nfs/dbraw/zinc/45/33/07/1371453307.db2.gz BZUVBYHFFNSMEI-YZGWKJHDSA-N 2 0 347.547 3.188 20 0 EGADRP CC1CCC(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCCC2)CC1 ZINC001120140741 1371494303 /nfs/dbraw/zinc/49/43/03/1371494303.db2.gz KMJKQILHPPWLKM-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)N(C)C)CCCCC1 ZINC001120212795 1371506441 /nfs/dbraw/zinc/50/64/41/1371506441.db2.gz AUFPSNPLSQDHAN-IBGZPJMESA-N 2 0 345.531 3.498 20 0 EGADRP C[NH+](C)C1CC[NH+](CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001207809175 1371509722 /nfs/dbraw/zinc/50/97/22/1371509722.db2.gz RHOUPAQGKXILKW-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H](C)c1ccccc1)C2 ZINC001207904309 1371532986 /nfs/dbraw/zinc/53/29/86/1371532986.db2.gz CPKCATFLABDOFA-BWAGFHJFSA-N 2 0 342.527 3.470 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421878 1371569806 /nfs/dbraw/zinc/56/98/06/1371569806.db2.gz FUWGOCPWZBSCRX-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459542 1371583623 /nfs/dbraw/zinc/58/36/23/1371583623.db2.gz NDACKADVZKAQGR-JGAFRWBPSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001208109853 1371597923 /nfs/dbraw/zinc/59/79/23/1371597923.db2.gz TWMNQTHJECFEFI-IYBDPMFKSA-N 2 0 336.483 3.248 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001208110387 1371598027 /nfs/dbraw/zinc/59/80/27/1371598027.db2.gz ZEQNLAKTCIBLLC-UHFFFAOYSA-N 2 0 341.543 3.316 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114309 1371599780 /nfs/dbraw/zinc/59/97/80/1371599780.db2.gz NBQHTKNXEOCEHW-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H](c1ccc(F)cc1)N1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208116542 1371600568 /nfs/dbraw/zinc/60/05/68/1371600568.db2.gz XLDIUIFZFWEEAU-QGZVFWFLSA-N 2 0 333.495 3.236 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001120583099 1371624336 /nfs/dbraw/zinc/62/43/36/1371624336.db2.gz NJADFQXBUWQGBQ-ZDUSSCGKSA-N 2 0 339.430 3.003 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)CCCC1 ZINC001208185259 1371625731 /nfs/dbraw/zinc/62/57/31/1371625731.db2.gz ZDDQBOMZVJQSIU-UHFFFAOYSA-N 2 0 341.499 3.094 20 0 EGADRP Cc1ccnc(O[C@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)c1 ZINC001208189610 1371631298 /nfs/dbraw/zinc/63/12/98/1371631298.db2.gz VYZLCCOGVBKZNB-SFHVURJKSA-N 2 0 331.504 3.355 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208280006 1371695548 /nfs/dbraw/zinc/69/55/48/1371695548.db2.gz XHODLDFIXRHPEF-KAGICYHLSA-N 2 0 335.536 3.188 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334281 1371722382 /nfs/dbraw/zinc/72/23/82/1371722382.db2.gz HQSJZEUMTAERDX-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001208448016 1371769993 /nfs/dbraw/zinc/76/99/93/1371769993.db2.gz TVCVDJKGWCQIFO-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001120834551 1371778035 /nfs/dbraw/zinc/77/80/35/1371778035.db2.gz KSDQHTSKLUYIAM-FCOWATRHSA-N 2 0 347.547 3.068 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474167 1371781167 /nfs/dbraw/zinc/78/11/67/1371781167.db2.gz JIYNBMYIBFARLC-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563972 1371818813 /nfs/dbraw/zinc/81/88/13/1371818813.db2.gz IKGIFQRQVYQMBT-WRFKIARRSA-N 2 0 340.471 3.275 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC001208588699 1371829601 /nfs/dbraw/zinc/82/96/01/1371829601.db2.gz KPNKVKWRBBKURD-SFTDATJTSA-N 2 0 327.516 3.211 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208589947 1371829656 /nfs/dbraw/zinc/82/96/56/1371829656.db2.gz AVAYRMAGKKSHFC-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP CC(C)[N@H+](C)[C@H]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590038 1371832052 /nfs/dbraw/zinc/83/20/52/1371832052.db2.gz BPEZWZVZDTZJBE-SFTDATJTSA-N 2 0 329.532 3.456 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208593442 1371832707 /nfs/dbraw/zinc/83/27/07/1371832707.db2.gz SHMOTFGCVDCILE-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)CC1 ZINC001208597042 1371834848 /nfs/dbraw/zinc/83/48/48/1371834848.db2.gz BBPZCCGIHOYLJW-UHFFFAOYSA-N 2 0 340.515 3.485 20 0 EGADRP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208597323 1371835358 /nfs/dbraw/zinc/83/53/58/1371835358.db2.gz GHZUVNROHFZLIZ-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC001208618097 1371843189 /nfs/dbraw/zinc/84/31/89/1371843189.db2.gz RQVOGDQXGXKEEP-WIYYLYMNSA-N 2 0 327.516 3.023 20 0 EGADRP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001208692736 1371863583 /nfs/dbraw/zinc/86/35/83/1371863583.db2.gz CWQVTGMVUWAHHL-SFHVURJKSA-N 2 0 336.520 3.306 20 0 EGADRP Cc1cc(N2CC[NH+](C[C@H](C)OCc3ccccc3)CC2)cc[nH+]1 ZINC001208704843 1371870314 /nfs/dbraw/zinc/87/03/14/1371870314.db2.gz PYUDQNINYZPWSE-SFHVURJKSA-N 2 0 325.456 3.117 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001208735322 1371879216 /nfs/dbraw/zinc/87/92/16/1371879216.db2.gz LBFRULJWWIOEMG-WOJBJXKFSA-N 2 0 331.504 3.041 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208748771 1371883622 /nfs/dbraw/zinc/88/36/22/1371883622.db2.gz LUNPDODIKYHIME-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750189 1371883937 /nfs/dbraw/zinc/88/39/37/1371883937.db2.gz ZHJQZZIFJOAYSO-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121194208 1371885068 /nfs/dbraw/zinc/88/50/68/1371885068.db2.gz OSIACALRUQZOQH-ODLLKVOJSA-N 2 0 347.547 3.234 20 0 EGADRP CC1CC(C[NH2+][C@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001208760200 1371886992 /nfs/dbraw/zinc/88/69/92/1371886992.db2.gz XOOINMNVWUHULV-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121233942 1371902927 /nfs/dbraw/zinc/90/29/27/1371902927.db2.gz UFGOSLGRFUGTQR-CGAYHSHTSA-N 2 0 349.563 3.312 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261480 1371912426 /nfs/dbraw/zinc/91/24/26/1371912426.db2.gz WPVUOIAPXCQDAY-WZXTXQKWSA-N 2 0 335.536 3.068 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261080 1371912892 /nfs/dbraw/zinc/91/28/92/1371912892.db2.gz OGJOZFQDHCCOBB-MBEFBZSESA-N 2 0 349.563 3.458 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121325711 1371937803 /nfs/dbraw/zinc/93/78/03/1371937803.db2.gz LVGMKZGJATWXEE-MDZDMXLPSA-N 2 0 349.563 3.480 20 0 EGADRP CN(C)C(=O)C1CC[NH+](C2CC[NH+](CC3(C)CCCCC3)CC2)CC1 ZINC001208900396 1371938375 /nfs/dbraw/zinc/93/83/75/1371938375.db2.gz QWFQSGCVKLHXRP-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940489 1371953025 /nfs/dbraw/zinc/95/30/25/1371953025.db2.gz SIGITJFUWSRHDY-LEWJYISDSA-N 2 0 329.532 3.315 20 0 EGADRP CC(C)[N@H+](C)[C@@H]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946332 1371959239 /nfs/dbraw/zinc/95/92/39/1371959239.db2.gz UVTPMKFGXHIVPV-NHCUHLMSSA-N 2 0 329.532 3.313 20 0 EGADRP F[C@H]1COC2(C1)CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208952980 1371960156 /nfs/dbraw/zinc/96/01/56/1371960156.db2.gz NBLOXYPGPLVBIA-RTBURBONSA-N 2 0 332.463 3.102 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC=C(C)C)C3)C1 ZINC001121618099 1372027816 /nfs/dbraw/zinc/02/78/16/1372027816.db2.gz YNFBWZMSVYHASP-GGQJKKPXSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223921 1372042115 /nfs/dbraw/zinc/04/21/15/1372042115.db2.gz XDTYLNVUJKZHNU-QUCCMNQESA-N 2 0 347.547 3.330 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121767565 1372074524 /nfs/dbraw/zinc/07/45/24/1372074524.db2.gz HLCDSLCSSQUEIW-OZSJIWHNSA-N 2 0 347.547 3.234 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC(C)C)C2)[NH+](C)C ZINC001121799004 1372084833 /nfs/dbraw/zinc/08/48/33/1372084833.db2.gz WNQVUEWWTPDONS-RJKRPDFYSA-N 2 0 337.552 3.026 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854125 1372103248 /nfs/dbraw/zinc/10/32/48/1372103248.db2.gz MIERGLISPIVYMI-PMRGXDQWSA-N 2 0 349.563 3.458 20 0 EGADRP c1ccc2c(c1)CC[N@@H+](C1CCN(CCC[NH+]3CCCCC3)CC1)C2 ZINC001209450027 1372109310 /nfs/dbraw/zinc/10/93/10/1372109310.db2.gz FAQXGFBIUPQIMD-UHFFFAOYSA-N 2 0 341.543 3.385 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477959 1372117318 /nfs/dbraw/zinc/11/73/18/1372117318.db2.gz NEOUNYIEPNYFQF-AJWBFMOXSA-N 2 0 343.515 3.155 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)[nH]1 ZINC001209571775 1372139835 /nfs/dbraw/zinc/13/98/35/1372139835.db2.gz LNEHTSZFRNRBKA-SFHVURJKSA-N 2 0 343.471 3.172 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001209613829 1372150792 /nfs/dbraw/zinc/15/07/92/1372150792.db2.gz KYKUGVTYMAKDEQ-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209612071 1372150857 /nfs/dbraw/zinc/15/08/57/1372150857.db2.gz BDFPHKCBPIGWNL-ZWKOTPCHSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C)C1)[NH+](CC)CC ZINC001209615996 1372152451 /nfs/dbraw/zinc/15/24/51/1372152451.db2.gz XZZHTZIUCXAUSI-VQTJNVASSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001209632926 1372156868 /nfs/dbraw/zinc/15/68/68/1372156868.db2.gz PETJWGUVXUFHNS-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055379 1372164000 /nfs/dbraw/zinc/16/40/00/1372164000.db2.gz BPQCIVVTAKCUCG-YQTQZHKRSA-N 2 0 349.563 3.027 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001210183325 1372290129 /nfs/dbraw/zinc/29/01/29/1372290129.db2.gz OEZDEAACDJAXTB-CTWPCTMYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1)c1ccc(F)cc1 ZINC001210219825 1372296486 /nfs/dbraw/zinc/29/64/86/1372296486.db2.gz UMGPNSBDMNSKGM-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001210235894 1372301375 /nfs/dbraw/zinc/30/13/75/1372301375.db2.gz GXASYTMEAQGQTD-ISIQUDIPSA-N 2 0 343.943 3.078 20 0 EGADRP Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Br)c1 ZINC001210266854 1372310212 /nfs/dbraw/zinc/31/02/12/1372310212.db2.gz REUZIULLTYLPQY-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP CC(=O)c1ccc(Cl)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210268821 1372310909 /nfs/dbraw/zinc/31/09/09/1372310909.db2.gz JECLYPULVWSKMQ-UHFFFAOYSA-N 2 0 330.819 3.091 20 0 EGADRP Nc1ccccc1-c1ccccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210269384 1372311441 /nfs/dbraw/zinc/31/14/41/1372311441.db2.gz TXARCRJLJWGGNX-UHFFFAOYSA-N 2 0 345.450 3.484 20 0 EGADRP Clc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc2cccnc12 ZINC001210270931 1372311831 /nfs/dbraw/zinc/31/18/31/1372311831.db2.gz KCGOCGFUNIKXOK-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001210493247 1372365876 /nfs/dbraw/zinc/36/58/76/1372365876.db2.gz KETLDNFNFWYMNE-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210492872 1372366111 /nfs/dbraw/zinc/36/61/11/1372366111.db2.gz FDDVFNOEYKIQGK-RTBURBONSA-N 2 0 345.531 3.287 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001210586528 1372385192 /nfs/dbraw/zinc/38/51/92/1372385192.db2.gz XVYBFZNFNZMTKH-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593764 1372386640 /nfs/dbraw/zinc/38/66/40/1372386640.db2.gz FAXFQTIZINDLNF-XQQSMPNESA-N 2 0 347.547 3.045 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001210635064 1372396939 /nfs/dbraw/zinc/39/69/39/1372396939.db2.gz WRAGTTFTGQFVNB-ZWKOTPCHSA-N 2 0 343.531 3.217 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210772874 1372424275 /nfs/dbraw/zinc/42/42/75/1372424275.db2.gz CBDPDEMALZKPBT-WUTDNEBXSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001210772818 1372424447 /nfs/dbraw/zinc/42/44/47/1372424447.db2.gz AUGNQKXEMXGPRH-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001210783485 1372426266 /nfs/dbraw/zinc/42/62/66/1372426266.db2.gz TXDLOLQUYMGIJX-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001210784407 1372426298 /nfs/dbraw/zinc/42/62/98/1372426298.db2.gz ZSAFVUUFOGMDRZ-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001210796961 1372427887 /nfs/dbraw/zinc/42/78/87/1372427887.db2.gz MFGXBLWLRNBUGO-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094544 1372484724 /nfs/dbraw/zinc/48/47/24/1372484724.db2.gz FEYPLJLTFKKZDV-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211125643 1372488081 /nfs/dbraw/zinc/48/80/81/1372488081.db2.gz IBYQHFQAXXZJRH-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001326468075 1388203411 /nfs/dbraw/zinc/20/34/11/1388203411.db2.gz JPJMWUGFRNUDMX-XLIONFOSSA-N 2 0 343.515 3.404 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001211229250 1372508052 /nfs/dbraw/zinc/50/80/52/1372508052.db2.gz RIRXZFXIEHCVQX-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211250113 1372512152 /nfs/dbraw/zinc/51/21/52/1372512152.db2.gz RQOYJLJNBOIBQG-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211261881 1372514618 /nfs/dbraw/zinc/51/46/18/1372514618.db2.gz FIPHGKMIPPSNLU-NHQAVIFJSA-N 2 0 349.563 3.434 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262494 1372515085 /nfs/dbraw/zinc/51/50/85/1372515085.db2.gz RKZOBCMOUYWQQE-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001211276056 1372518726 /nfs/dbraw/zinc/51/87/26/1372518726.db2.gz DHEVHHDHFZYBGU-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374527 1372543273 /nfs/dbraw/zinc/54/32/73/1372543273.db2.gz HLNZFARGLLQOAZ-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+]C1(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)CC[NH2+]CC1 ZINC001212168826 1372666608 /nfs/dbraw/zinc/66/66/08/1372666608.db2.gz LPXRAGSDPXUTLH-UHFFFAOYSA-N 2 0 334.423 3.027 20 0 EGADRP C[NH+](C)CCOc1cccc(Nc2ccc3c(c2)C[N@@H+](C)CC3)c1 ZINC001212809648 1372777889 /nfs/dbraw/zinc/77/78/89/1372777889.db2.gz BULFQDMXWRQJKQ-UHFFFAOYSA-N 2 0 325.456 3.359 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001188084301 1388238694 /nfs/dbraw/zinc/23/86/94/1388238694.db2.gz ICGLSCDUESLQRI-PXDRNWIDSA-N 2 0 343.515 3.299 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001188099708 1388242248 /nfs/dbraw/zinc/24/22/48/1388242248.db2.gz MTLCBDTVHPBFSJ-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)(C(=O)NCC[NH2+]CC/C=C/c1ccccc1)[NH+]1CCCCC1 ZINC001127322752 1373115272 /nfs/dbraw/zinc/11/52/72/1373115272.db2.gz VGGKGRKSHHMZHF-NTUHNPAUSA-N 2 0 343.515 3.060 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214852821 1373130435 /nfs/dbraw/zinc/13/04/35/1373130435.db2.gz KFCCYIOVKSSEPI-NZSAHSFTSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001215778585 1373236988 /nfs/dbraw/zinc/23/69/88/1373236988.db2.gz TXTHRPNORMVTEA-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001216053135 1373254758 /nfs/dbraw/zinc/25/47/58/1373254758.db2.gz CSZMMIPJLAZYPU-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1sccc1C[NH+](C)C)c1ccccc1F ZINC001128545286 1373288018 /nfs/dbraw/zinc/28/80/18/1373288018.db2.gz WYXRKHPLMWUKQY-CYBMUJFWSA-N 2 0 349.475 3.029 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001216349393 1373304364 /nfs/dbraw/zinc/30/43/64/1373304364.db2.gz XHPMRGODARWKOU-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001216349382 1373304484 /nfs/dbraw/zinc/30/44/84/1373304484.db2.gz WUXUEUWDFSYLLT-ISIQUDIPSA-N 2 0 343.943 3.078 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772468 1373341141 /nfs/dbraw/zinc/34/11/41/1373341141.db2.gz CGOVIEVIJKGZKF-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846378 1373350637 /nfs/dbraw/zinc/35/06/37/1373350637.db2.gz AIDOJVAJNKNPKC-FBYXPACISA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001129358248 1373374972 /nfs/dbraw/zinc/37/49/72/1373374972.db2.gz REMVWHNIBZJNEV-MRXNPFEDSA-N 2 0 331.504 3.061 20 0 EGADRP CC(C)(C)c1ccc(-c2nnc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1 ZINC001217757969 1373499164 /nfs/dbraw/zinc/49/91/64/1373499164.db2.gz UXGRQTCDUHNCPZ-UHFFFAOYSA-N 2 0 328.460 3.123 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CO[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001217813758 1373503961 /nfs/dbraw/zinc/50/39/61/1373503961.db2.gz NOIHZFXNUZGQPN-MXEMCNAFSA-N 2 0 328.500 3.303 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CC[C@]45CC[NH2+]C5)cc32)CC1 ZINC001218120137 1373564735 /nfs/dbraw/zinc/56/47/35/1373564735.db2.gz UBZSJAKPCNGRKC-NHCUHLMSSA-N 2 0 339.483 3.498 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CC[C@@]45CC[NH2+]C5)cc32)CC1 ZINC001218120141 1373564986 /nfs/dbraw/zinc/56/49/86/1373564986.db2.gz UBZSJAKPCNGRKC-SFTDATJTSA-N 2 0 339.483 3.498 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001130622356 1373570526 /nfs/dbraw/zinc/57/05/26/1373570526.db2.gz FFICQNDDXUUOOY-UHFFFAOYSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1F ZINC001130622369 1373570579 /nfs/dbraw/zinc/57/05/79/1373570579.db2.gz FSFZYXAXGZXWEJ-OAHLLOKOSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622305 1373570944 /nfs/dbraw/zinc/57/09/44/1373570944.db2.gz CCFLMMFODDGXKR-MRXNPFEDSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC001130622665 1373571696 /nfs/dbraw/zinc/57/16/96/1373571696.db2.gz TZWXIEXKSXWQBW-HNNXBMFYSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2C)c1 ZINC001130658653 1373576140 /nfs/dbraw/zinc/57/61/40/1373576140.db2.gz ILSNNTCVUSNDQQ-HNNXBMFYSA-N 2 0 336.439 3.032 20 0 EGADRP c1cnc2c(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218326441 1373597034 /nfs/dbraw/zinc/59/70/34/1373597034.db2.gz PHBLVLLEVQEXAQ-XKGZKEIXSA-N 2 0 337.467 3.207 20 0 EGADRP c1cnc2c(O[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218480003 1373622278 /nfs/dbraw/zinc/62/22/78/1373622278.db2.gz WTQBEBXJUIUFNO-ILZDJORESA-N 2 0 337.467 3.492 20 0 EGADRP CN(C)c1cc[nH+]cc1NC(=O)C[C@H]([NH3+])Cc1cccc2ccccc21 ZINC001218562855 1373633962 /nfs/dbraw/zinc/63/39/62/1373633962.db2.gz DTOGYSUHPOCKTN-QGZVFWFLSA-N 2 0 348.450 3.199 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001131799083 1373809439 /nfs/dbraw/zinc/80/94/39/1373809439.db2.gz HGDUJFOFNZNFNO-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1F ZINC001131822473 1373823675 /nfs/dbraw/zinc/82/36/75/1373823675.db2.gz OLBPVSBVIJWNRI-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CC[NH+]1CCC(N(C)C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)CC1 ZINC001188306229 1388287167 /nfs/dbraw/zinc/28/71/67/1388287167.db2.gz FOORGTLADIXYFY-UHFFFAOYSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)C2)o1 ZINC001188325211 1388290522 /nfs/dbraw/zinc/29/05/22/1388290522.db2.gz IZDOIZRTMCAGOT-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@@H](CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1)n1ccnc1 ZINC001326890385 1388341479 /nfs/dbraw/zinc/34/14/79/1388341479.db2.gz PHYWERJFPPLAGQ-KRWDZBQOSA-N 2 0 346.519 3.433 20 0 EGADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225333404 1375105654 /nfs/dbraw/zinc/10/56/54/1375105654.db2.gz PKXZTXMRVJUNLR-QFBILLFUSA-N 2 0 325.456 3.358 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132106451 1375151297 /nfs/dbraw/zinc/15/12/97/1375151297.db2.gz UOQYTPYXMOOLQW-HKUYNNGSSA-N 2 0 347.547 3.330 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCC2)C1 ZINC001132153154 1375173132 /nfs/dbraw/zinc/17/31/32/1375173132.db2.gz NTASNLJIDYLYSC-SJLPKXTDSA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001226332827 1375240867 /nfs/dbraw/zinc/24/08/67/1375240867.db2.gz BEHNLJZTOZPFOB-WPXWLTIGSA-N 2 0 349.563 3.480 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001226340457 1375243559 /nfs/dbraw/zinc/24/35/59/1375243559.db2.gz COLPPQGEPPBQPG-WJFTUGDTSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132249452 1375244234 /nfs/dbraw/zinc/24/42/34/1375244234.db2.gz PCBCSMZLYLCMND-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132270260 1375258112 /nfs/dbraw/zinc/25/81/12/1375258112.db2.gz RNYUZMJCJOANFG-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC/C=C\c1ccccc1 ZINC001132277369 1375261284 /nfs/dbraw/zinc/26/12/84/1375261284.db2.gz GEAYPWXZTBUWSG-GDSCYZHGSA-N 2 0 343.515 3.011 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132339309 1375317788 /nfs/dbraw/zinc/31/77/88/1375317788.db2.gz DPNYFWZTWSMKMS-FYVKXAJJSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132339311 1375318764 /nfs/dbraw/zinc/31/87/64/1375318764.db2.gz DPNYFWZTWSMKMS-IBMJZYDUSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2([NH+](C)C)CCC2)cs1 ZINC001226791690 1375336470 /nfs/dbraw/zinc/33/64/70/1375336470.db2.gz KWWSCSIXUCGFQH-IAGOWNOFSA-N 2 0 349.544 3.058 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132411070 1375359954 /nfs/dbraw/zinc/35/99/54/1375359954.db2.gz SJZCXBYSWRLJTH-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001226932714 1375361392 /nfs/dbraw/zinc/36/13/92/1375361392.db2.gz PCPJQENRYBQDAC-AQNXPRMDSA-N 2 0 345.531 3.098 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494968 1375424511 /nfs/dbraw/zinc/42/45/11/1375424511.db2.gz ZMNLOHUXGJQGAP-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132518130 1375435591 /nfs/dbraw/zinc/43/55/91/1375435591.db2.gz IWGPDEBYSKICDG-HKUYNNGSSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC001132519264 1375436776 /nfs/dbraw/zinc/43/67/76/1375436776.db2.gz VUPQMNVRKPBAOP-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)cc1 ZINC001132519443 1375437551 /nfs/dbraw/zinc/43/75/51/1375437551.db2.gz YYBJBASZNARWMU-YLJYHZDGSA-N 2 0 345.531 3.058 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132521851 1375438001 /nfs/dbraw/zinc/43/80/01/1375438001.db2.gz IBABVRWLHFKOAV-FFQNAWCLSA-N 2 0 343.515 3.009 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227792265 1375474965 /nfs/dbraw/zinc/47/49/65/1375474965.db2.gz MNMYLZBBAPPGMD-RURPWVQCSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227867215 1375484036 /nfs/dbraw/zinc/48/40/36/1375484036.db2.gz CCYVIYLXGJQARK-PXNSSMCTSA-N 2 0 343.515 3.203 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001228065597 1375513926 /nfs/dbraw/zinc/51/39/26/1375513926.db2.gz RPESTCICNCWUJZ-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559345 1375597591 /nfs/dbraw/zinc/59/75/91/1375597591.db2.gz PIKGLRMUANTUEZ-PWHNWJGYSA-N 2 0 337.552 3.480 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC001228646516 1375626525 /nfs/dbraw/zinc/62/65/25/1375626525.db2.gz HBHDFUNXKPAHON-AQNXPRMDSA-N 2 0 345.531 3.161 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132937675 1375657454 /nfs/dbraw/zinc/65/74/54/1375657454.db2.gz NBVIBTXYALENAW-RDJZCZTQSA-N 2 0 342.487 3.131 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132956170 1375672162 /nfs/dbraw/zinc/67/21/62/1375672162.db2.gz ZMDSXGPXFPRZHJ-AEFFLSMTSA-N 2 0 342.487 3.068 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001229214420 1375789050 /nfs/dbraw/zinc/78/90/50/1375789050.db2.gz QQIBWLTXDRIPFX-QXAKKESOSA-N 2 0 331.504 3.106 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001229288006 1375802771 /nfs/dbraw/zinc/80/27/71/1375802771.db2.gz UVIRXJABWJPAJT-RTBURBONSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001229732518 1375882376 /nfs/dbraw/zinc/88/23/76/1375882376.db2.gz RLQUSTXZFMGJLZ-QZTJIDSGSA-N 2 0 346.519 3.359 20 0 EGADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001133314936 1375918158 /nfs/dbraw/zinc/91/81/58/1375918158.db2.gz QFQLNPWCGUQUHJ-ICSRJNTNSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230016623 1375931490 /nfs/dbraw/zinc/93/14/90/1375931490.db2.gz QRGIXAXEFOCXRJ-FXAWDEMLSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001230107791 1375944717 /nfs/dbraw/zinc/94/47/17/1375944717.db2.gz YBTQYOSAIIKTQE-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230341388 1376003619 /nfs/dbraw/zinc/00/36/19/1376003619.db2.gz FMAJAKKFWBYFBI-RTBURBONSA-N 2 0 335.536 3.236 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001230355100 1376006708 /nfs/dbraw/zinc/00/67/08/1376006708.db2.gz SFXNHZDUBMTXAD-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230354566 1376007193 /nfs/dbraw/zinc/00/71/93/1376007193.db2.gz FJHRGGNRGWGXMV-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377916 1376009962 /nfs/dbraw/zinc/00/99/62/1376009962.db2.gz CYVLWTGYTNVBEY-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP Nc1[nH]c2ccc(O[C@H]3CC[N@H+](Cc4ccccc4Cl)C3)cc2[nH+]1 ZINC001230518342 1376048491 /nfs/dbraw/zinc/04/84/91/1376048491.db2.gz PMEMTSUWYVWTDP-AWEZNQCLSA-N 2 0 342.830 3.452 20 0 EGADRP Nc1[nH]c2ccc(O[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)cc2[nH+]1 ZINC001230516165 1376048714 /nfs/dbraw/zinc/04/87/14/1376048714.db2.gz OTYGEZHYONSTOC-OAHLLOKOSA-N 2 0 340.402 3.328 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001327171990 1388420671 /nfs/dbraw/zinc/42/06/71/1388420671.db2.gz IQJKTQMKFJHPCD-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC2CCC2)CC1 ZINC001230617544 1376103311 /nfs/dbraw/zinc/10/33/11/1376103311.db2.gz CMTYFEVRDCWASZ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001327187104 1388429844 /nfs/dbraw/zinc/42/98/44/1388429844.db2.gz AQEBHHUHUBNYNQ-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP O=C1Nc2ccccc2C12CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232012642 1376382900 /nfs/dbraw/zinc/38/29/00/1376382900.db2.gz MEHMTNUUZUKXNX-UHFFFAOYSA-N 2 0 332.407 3.049 20 0 EGADRP O=C(C1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1)N1CCCCCC1 ZINC001232014338 1376384789 /nfs/dbraw/zinc/38/47/89/1376384789.db2.gz OCJJKYMOGKODCV-UHFFFAOYSA-N 2 0 340.471 3.178 20 0 EGADRP CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016751 1376385259 /nfs/dbraw/zinc/38/52/59/1376385259.db2.gz FJKYNRQZGQMLDI-KRWDZBQOSA-N 2 0 347.459 3.133 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(Br)[nH]c4ccccc43)C[C@@H]2C1 ZINC001232141724 1376407775 /nfs/dbraw/zinc/40/77/75/1376407775.db2.gz REQSRADOPFJSCK-OLZOCXBDSA-N 2 0 348.288 3.314 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001232143887 1376409002 /nfs/dbraw/zinc/40/90/02/1376409002.db2.gz DKPMITIBDSPLDN-INIZCTEOSA-N 2 0 348.384 3.167 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccc(CF)n1 ZINC001232539625 1376479583 /nfs/dbraw/zinc/47/95/83/1376479583.db2.gz PKPIIPMCLBJNDQ-UHFFFAOYSA-N 2 0 338.515 3.037 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001134584438 1376608489 /nfs/dbraw/zinc/60/84/89/1376608489.db2.gz UQRVNDQPOWKHJF-XTUKKMCOSA-N 2 0 343.515 3.057 20 0 EGADRP Cc1cnsc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001233320323 1376613286 /nfs/dbraw/zinc/61/32/86/1376613286.db2.gz VXSGWUJLUPXFJE-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC(C)(C)C1 ZINC001134728924 1376682537 /nfs/dbraw/zinc/68/25/37/1376682537.db2.gz DDTWQEGYYMEBNN-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC(C)(C)C ZINC001134729688 1376682761 /nfs/dbraw/zinc/68/27/61/1376682761.db2.gz LBIBZCSBTQLFID-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001134766211 1376710139 /nfs/dbraw/zinc/71/01/39/1376710139.db2.gz DXFIYDBOYPGNOY-RTBURBONSA-N 2 0 349.494 3.246 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)c1 ZINC001134772882 1376711865 /nfs/dbraw/zinc/71/18/65/1376711865.db2.gz IQOVUIXVFPKCCH-IAGOWNOFSA-N 2 0 347.547 3.352 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001134772863 1376712177 /nfs/dbraw/zinc/71/21/77/1376712177.db2.gz ILRNTIYIINLNGH-ROUUACIJSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001134772715 1376712644 /nfs/dbraw/zinc/71/26/44/1376712644.db2.gz GYJKSHBUZQNSMW-ZWKOTPCHSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001134773952 1376713542 /nfs/dbraw/zinc/71/35/42/1376713542.db2.gz SENNOOMWRZCSPQ-JKSUJKDBSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791015 1376724412 /nfs/dbraw/zinc/72/44/12/1376724412.db2.gz MOEWGEKXLPHXDA-HOTGVXAUSA-N 2 0 337.552 3.312 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858154 1376757456 /nfs/dbraw/zinc/75/74/56/1376757456.db2.gz OXYJMNOTOYSEDL-ROUUACIJSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888005 1376768490 /nfs/dbraw/zinc/76/84/90/1376768490.db2.gz JJURKUWOXAUUKC-HZPDHXFCSA-N 2 0 340.471 3.321 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134887642 1376768814 /nfs/dbraw/zinc/76/88/14/1376768814.db2.gz DPXGOEXPJZFCHU-HZPDHXFCSA-N 2 0 336.439 3.021 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993918 1376832624 /nfs/dbraw/zinc/83/26/24/1376832624.db2.gz NEHWZKSBNGRCRD-JKSUJKDBSA-N 2 0 342.487 3.401 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH2+]CCC(C)(C)C ZINC001134994534 1376833838 /nfs/dbraw/zinc/83/38/38/1376833838.db2.gz SFRGQRLSRLEQAD-CABCVRRESA-N 2 0 330.476 3.257 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001753008619 1440266389 /nfs/dbraw/zinc/26/63/89/1440266389.db2.gz IHGVPVJGJVAUEG-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP Cc1csc2sc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(C)c12 ZINC001235035718 1376835164 /nfs/dbraw/zinc/83/51/64/1376835164.db2.gz HQCQDSBBZYTZGX-ZIAGYGMSSA-N 2 0 336.526 3.390 20 0 EGADRP Fc1c(C[NH+]2CCC(C3C[NH2+]C3)CC2)ccc(C(F)(F)F)c1F ZINC001235338099 1376867761 /nfs/dbraw/zinc/86/77/61/1376867761.db2.gz BMAATCCZMKHPQL-UHFFFAOYSA-N 2 0 334.332 3.415 20 0 EGADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(CC[C@@H]2CCCC[NH2+]2)C3)c1 ZINC001235630279 1376878910 /nfs/dbraw/zinc/87/89/10/1376878910.db2.gz XLMOQCVKUUHOEH-SFTDATJTSA-N 2 0 345.506 3.398 20 0 EGADRP FC1(C[N@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)CC[NH2+]CC1 ZINC001235632197 1376879752 /nfs/dbraw/zinc/87/97/52/1376879752.db2.gz PIRRFLNBAFESQF-UFYCRDLUSA-N 2 0 344.474 3.275 20 0 EGADRP C[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC001235665621 1376882436 /nfs/dbraw/zinc/88/24/36/1376882436.db2.gz KUQUCPAMWZDRFX-UHFFFAOYSA-N 2 0 332.366 3.064 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C)[NH2+]CC1CCC1 ZINC001135100679 1376898469 /nfs/dbraw/zinc/89/84/69/1376898469.db2.gz FXKCKNVCYFJGDF-SJORKVTESA-N 2 0 345.531 3.077 20 0 EGADRP CN(C[C@H]1CCC[NH2+]C1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001235923871 1376918859 /nfs/dbraw/zinc/91/88/59/1376918859.db2.gz NYKUTQLVIOHGIL-IBGZPJMESA-N 2 0 349.522 3.392 20 0 EGADRP CCN(C[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235947329 1376921479 /nfs/dbraw/zinc/92/14/79/1376921479.db2.gz ACAKRSMHLQPHHG-GOTSBHOMSA-N 2 0 349.522 3.297 20 0 EGADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(-c4cccs4)cc3)C2)C1 ZINC001236077631 1376932320 /nfs/dbraw/zinc/93/23/20/1376932320.db2.gz JMKPASYBRGGLNN-GOSISDBHSA-N 2 0 327.497 3.022 20 0 EGADRP CN(C)c1ccc(Br)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227089 1376942888 /nfs/dbraw/zinc/94/28/88/1376942888.db2.gz ZLPJZVCIMPNWFA-UHFFFAOYSA-N 2 0 340.309 3.089 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001236253015 1376946134 /nfs/dbraw/zinc/94/61/34/1376946134.db2.gz DXHFDRPGELAGBO-GOTSBHOMSA-N 2 0 349.522 3.297 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180487 1376952874 /nfs/dbraw/zinc/95/28/74/1376952874.db2.gz HZASKWLQBZFWOW-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180388 1376953448 /nfs/dbraw/zinc/95/34/48/1376953448.db2.gz GOBVVROPAQTHFT-IAGOWNOFSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180032 1376953872 /nfs/dbraw/zinc/95/38/72/1376953872.db2.gz CDRRPJBOVDQOFG-JKSUJKDBSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297904 1377026089 /nfs/dbraw/zinc/02/60/89/1377026089.db2.gz JQCIXSGMPUKVED-DLBZAZTESA-N 2 0 335.536 3.092 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135297823 1377026190 /nfs/dbraw/zinc/02/61/90/1377026190.db2.gz HWVLLGMFYZBTLA-LSDHHAIUSA-N 2 0 337.508 3.264 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1occc1C[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001135297913 1377026629 /nfs/dbraw/zinc/02/66/29/1377026629.db2.gz JRNOHKRNFJEUQJ-KGLIPLIRSA-N 2 0 349.500 3.089 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135307699 1377029196 /nfs/dbraw/zinc/02/91/96/1377029196.db2.gz HWYNWNZPKZBUOO-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1occc1C[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001135308039 1377029438 /nfs/dbraw/zinc/02/94/38/1377029438.db2.gz NEAMRAQZWCXSDB-CVEARBPZSA-N 2 0 343.471 3.028 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CCCC1CCCC1 ZINC001135314902 1377033525 /nfs/dbraw/zinc/03/35/25/1377033525.db2.gz IQUZOSAEVMFHJA-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1sccc1Cl ZINC001135315028 1377033767 /nfs/dbraw/zinc/03/37/67/1377033767.db2.gz KMBMVSIYGKNYIG-OLZOCXBDSA-N 2 0 345.940 3.116 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCC[NH+](C)C ZINC001135317329 1377034328 /nfs/dbraw/zinc/03/43/28/1377034328.db2.gz XPWCLTWCRNZUCV-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246545208 1377052302 /nfs/dbraw/zinc/05/23/02/1377052302.db2.gz UWCAICCCSASITM-RHSMWYFYSA-N 2 0 343.298 3.026 20 0 EGADRP C[C@@H]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246547045 1377052378 /nfs/dbraw/zinc/05/23/78/1377052378.db2.gz ALBZHMALEPJXTI-DOADOZAASA-N 2 0 329.532 3.345 20 0 EGADRP CC[C@@H]1C[C@@H](N2CC[C@@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542652 1377052591 /nfs/dbraw/zinc/05/25/91/1377052591.db2.gz WPFCHHZHVJBBKJ-QKPAOTATSA-N 2 0 326.481 3.322 20 0 EGADRP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C3)c1 ZINC001246717466 1377053064 /nfs/dbraw/zinc/05/30/64/1377053064.db2.gz ACRKAMGCNFWOSR-KCLUMXDGSA-N 2 0 343.515 3.149 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(CC[NH3+])Cc1ccc(Cl)cc1Cl)C2 ZINC001246821016 1377055324 /nfs/dbraw/zinc/05/53/24/1377055324.db2.gz LNGUXIRAVLHQBU-ZSHCYNCHSA-N 2 0 342.314 3.379 20 0 EGADRP C[NH2+]C[C@H]1CCCN1[C@H](C)CCc1ccc(Br)cc1 ZINC001246938951 1377055915 /nfs/dbraw/zinc/05/59/15/1377055915.db2.gz QCZNQMIZEFZYOD-CZUORRHYSA-N 2 0 325.294 3.454 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCCCCC1 ZINC001135374973 1377061432 /nfs/dbraw/zinc/06/14/32/1377061432.db2.gz HQGPDFYENPCTDS-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254529247 1377106806 /nfs/dbraw/zinc/10/68/06/1377106806.db2.gz FKVGWRMHKJJEDM-SJORKVTESA-N 2 0 339.524 3.050 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001135477418 1377111753 /nfs/dbraw/zinc/11/17/53/1377111753.db2.gz VBQCVQMSYLCMIY-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001135513640 1377123453 /nfs/dbraw/zinc/12/34/53/1377123453.db2.gz SQCXRVJRTBBHNB-INIZCTEOSA-N 2 0 333.520 3.093 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001135610604 1377161259 /nfs/dbraw/zinc/16/12/59/1377161259.db2.gz YIYHRQNLLFNYGU-MSOLQXFVSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCC1CCC1 ZINC001135614052 1377162320 /nfs/dbraw/zinc/16/23/20/1377162320.db2.gz LRRZGWGNLJXYSC-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614599 1377163238 /nfs/dbraw/zinc/16/32/38/1377163238.db2.gz XEFZBZWRSYTGMW-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135706038 1377190665 /nfs/dbraw/zinc/19/06/65/1377190665.db2.gz NWBOFBFKOMLBSN-RTBURBONSA-N 2 0 347.547 3.327 20 0 EGADRP CCc1ccccc1CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135747574 1377200291 /nfs/dbraw/zinc/20/02/91/1377200291.db2.gz SLVUAAKSJOREGY-QZTJIDSGSA-N 2 0 347.547 3.006 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001135767768 1377206395 /nfs/dbraw/zinc/20/63/95/1377206395.db2.gz HZFFCRYCCNDKCU-RTBURBONSA-N 2 0 345.531 3.100 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788383 1377211020 /nfs/dbraw/zinc/21/10/20/1377211020.db2.gz DPHFMEFZJCLWIS-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001135823970 1377222318 /nfs/dbraw/zinc/22/23/18/1377222318.db2.gz KVTDUJKDEWJUGI-ZWKOTPCHSA-N 2 0 349.563 3.480 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001266195650 1377222677 /nfs/dbraw/zinc/22/26/77/1377222677.db2.gz XSHDUGVREJXDMN-HNAYVOBHSA-N 2 0 349.494 3.150 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827065 1377223819 /nfs/dbraw/zinc/22/38/19/1377223819.db2.gz PNIMBXOZMFKMGF-IRXDYDNUSA-N 2 0 339.568 3.416 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135861914 1377238654 /nfs/dbraw/zinc/23/86/54/1377238654.db2.gz YUHVSNFVEPHWHK-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266233496 1377240368 /nfs/dbraw/zinc/24/03/68/1377240368.db2.gz LRWPQMUVBHEFBU-HPFMTEOYSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCF ZINC001135908521 1377258589 /nfs/dbraw/zinc/25/85/89/1377258589.db2.gz ZYCHTSUQXXRQSN-IAGOWNOFSA-N 2 0 331.520 3.121 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001266284525 1377258931 /nfs/dbraw/zinc/25/89/31/1377258931.db2.gz FGOAUGSKYNLAQJ-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001135926010 1377265269 /nfs/dbraw/zinc/26/52/69/1377265269.db2.gz AQYMSQURLJTLFX-PMACEKPBSA-N 2 0 345.531 3.090 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944435 1377272580 /nfs/dbraw/zinc/27/25/80/1377272580.db2.gz JPGPYNQBYMBQBJ-HOTGVXAUSA-N 2 0 334.508 3.070 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1C ZINC001135973738 1377282377 /nfs/dbraw/zinc/28/23/77/1377282377.db2.gz CSLRLGZIXFICJH-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135980933 1377285898 /nfs/dbraw/zinc/28/58/98/1377285898.db2.gz VBMYUCSHLRKLTB-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001266373739 1377298538 /nfs/dbraw/zinc/29/85/38/1377298538.db2.gz KMGPWTULBWVDAE-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001266373866 1377298747 /nfs/dbraw/zinc/29/87/47/1377298747.db2.gz MZVWMQUEVWFZHA-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001267071119 1377409913 /nfs/dbraw/zinc/40/99/13/1377409913.db2.gz DQBSRNHMWZUFHI-SJLPKXTDSA-N 2 0 345.531 3.045 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc2[nH]cnc2c1 ZINC001137048011 1377467765 /nfs/dbraw/zinc/46/77/65/1377467765.db2.gz YTIKJJBOYADQAV-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP c1csc(C[NH+]2CCC3(CC[NH+](Cc4cc[nH]n4)CC3)CC2)c1 ZINC001137127807 1377483022 /nfs/dbraw/zinc/48/30/22/1377483022.db2.gz NOPXFYBDJFGCMQ-UHFFFAOYSA-N 2 0 330.501 3.349 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001271578006 1377640411 /nfs/dbraw/zinc/64/04/11/1377640411.db2.gz ZLHDLBXHTYTNCL-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP CCSc1ncc(C[N@H+](C2CCCC2)C2CCN(C)CC2)cn1 ZINC001138657756 1377763567 /nfs/dbraw/zinc/76/35/67/1377763567.db2.gz PTGNXRRHEDUEDF-UHFFFAOYSA-N 2 0 334.533 3.427 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1OC ZINC001138745832 1377779693 /nfs/dbraw/zinc/77/96/93/1377779693.db2.gz KHZNAHKZJCOXCS-UHFFFAOYSA-N 2 0 338.879 3.275 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001138849711 1377794780 /nfs/dbraw/zinc/79/47/80/1377794780.db2.gz NLDQFFMDYNJFRW-UHFFFAOYSA-N 2 0 346.393 3.367 20 0 EGADRP Cc1n[nH]c(C)c1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139101076 1377830006 /nfs/dbraw/zinc/83/00/06/1377830006.db2.gz KMFJNQMXRURKOR-UHFFFAOYSA-N 2 0 326.488 3.371 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1 ZINC001139206500 1377851389 /nfs/dbraw/zinc/85/13/89/1377851389.db2.gz CKOUZLJWGPHSKX-UHFFFAOYSA-N 2 0 342.531 3.028 20 0 EGADRP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)s2)cc1 ZINC001139285960 1377862883 /nfs/dbraw/zinc/86/28/83/1377862883.db2.gz CGKITWFRMJQFJW-IYBDPMFKSA-N 2 0 328.481 3.417 20 0 EGADRP COc1ccc2cc(C[NH+]3CCC4(C[NH+](C)C4)CC3)c(Cl)nc2c1 ZINC001139307254 1377865650 /nfs/dbraw/zinc/86/56/50/1377865650.db2.gz AYCZFUXVKMHLCE-UHFFFAOYSA-N 2 0 345.874 3.424 20 0 EGADRP C[NH+]1CCN(C2CN(Cc3ccc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC001139417166 1377881755 /nfs/dbraw/zinc/88/17/55/1377881755.db2.gz RGYHOIYRFRCXOV-UHFFFAOYSA-N 2 0 345.874 3.032 20 0 EGADRP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001327455249 1388523620 /nfs/dbraw/zinc/52/36/20/1388523620.db2.gz KPYAHICHYQLHRD-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3c[nH]c4ncnc(Cl)c34)CC2)CC1 ZINC001139937004 1377979778 /nfs/dbraw/zinc/97/97/78/1377979778.db2.gz UYNBWYFAWKZDOQ-UHFFFAOYSA-N 2 0 347.894 3.117 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(C(F)(F)F)ccn1)CC2 ZINC001140109206 1378009441 /nfs/dbraw/zinc/00/94/41/1378009441.db2.gz FDTROQLHJFDJDK-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC001140550015 1378083514 /nfs/dbraw/zinc/08/35/14/1378083514.db2.gz AXLXSNGRYRBQCZ-UHFFFAOYSA-N 2 0 339.277 3.072 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276576948 1378180244 /nfs/dbraw/zinc/18/02/44/1378180244.db2.gz RQDZGTRDFJWCNY-FQEVSTJZSA-N 2 0 333.495 3.195 20 0 EGADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cnco2)CC3)c1 ZINC001140931117 1378184728 /nfs/dbraw/zinc/18/47/28/1378184728.db2.gz YAXPXTKSBAXZTQ-UHFFFAOYSA-N 2 0 341.455 3.171 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001140975148 1378197983 /nfs/dbraw/zinc/19/79/83/1378197983.db2.gz OWZYWHHDYFNGGW-UHFFFAOYSA-N 2 0 339.458 3.136 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3cccc(-c4ncccn4)c3)CC2)cc[nH+]1 ZINC001140982840 1378199221 /nfs/dbraw/zinc/19/92/21/1378199221.db2.gz NHFLBWYFJMDNBR-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001277496452 1378227627 /nfs/dbraw/zinc/22/76/27/1378227627.db2.gz WJVINIILWOGZFX-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001277496451 1378228347 /nfs/dbraw/zinc/22/83/47/1378228347.db2.gz WJVINIILWOGZFX-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CCOC(=O)CCCC[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277881422 1378249232 /nfs/dbraw/zinc/24/92/32/1378249232.db2.gz XDGYUKDWLUFXBZ-UHFFFAOYSA-N 2 0 347.503 3.036 20 0 EGADRP Cc1ccc(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c(F)c1 ZINC001141192456 1378264512 /nfs/dbraw/zinc/26/45/12/1378264512.db2.gz MNAWXJZSMOWCNN-FQEVSTJZSA-N 2 0 334.479 3.457 20 0 EGADRP COc1ccc(C(F)(F)F)cc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001141202081 1378266532 /nfs/dbraw/zinc/26/65/32/1378266532.db2.gz SFYVBTGLMUCAHM-OCCSQVGLSA-N 2 0 328.378 3.098 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(-c3ccc(F)cc3)n1)CC2 ZINC001141208295 1378269763 /nfs/dbraw/zinc/26/97/63/1378269763.db2.gz AEDGSJBIGUXYBQ-UHFFFAOYSA-N 2 0 325.431 3.415 20 0 EGADRP CN(C)c1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001141257341 1378284993 /nfs/dbraw/zinc/28/49/93/1378284993.db2.gz AABFEQUWUAAYFI-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)CNC(=O)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001327517142 1388546109 /nfs/dbraw/zinc/54/61/09/1388546109.db2.gz DVHZIPCTVNBURC-AZUAARDMSA-N 2 0 345.531 3.039 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001281955524 1378463914 /nfs/dbraw/zinc/46/39/14/1378463914.db2.gz NJRPDRCAGJOSEZ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP c1cc2c(nccc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142879250 1378502933 /nfs/dbraw/zinc/50/29/33/1378502933.db2.gz OJEXKRQVWBBMSZ-KDURUIRLSA-N 2 0 332.451 3.127 20 0 EGADRP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001282664728 1378535637 /nfs/dbraw/zinc/53/56/37/1378535637.db2.gz JTAAOWAAPGBGCH-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC001143253396 1378569323 /nfs/dbraw/zinc/56/93/23/1378569323.db2.gz SACKGLXSFBUIBT-UHFFFAOYSA-N 2 0 337.458 3.084 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)on2)cc1 ZINC001327561531 1388560062 /nfs/dbraw/zinc/56/00/62/1388560062.db2.gz FYMKOGKAEDPQGH-UHFFFAOYSA-N 2 0 341.455 3.316 20 0 EGADRP COc1ccc(CN2CC3(C2)CC[NH+](C)CC3)c(OC(F)(F)F)c1 ZINC001144055033 1378675756 /nfs/dbraw/zinc/67/57/56/1378675756.db2.gz ABHIWFAOQJHDML-UHFFFAOYSA-N 2 0 344.377 3.121 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001283316788 1378800991 /nfs/dbraw/zinc/80/09/91/1378800991.db2.gz HZKRCTQLGUAEKE-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001146339100 1378820896 /nfs/dbraw/zinc/82/08/96/1378820896.db2.gz JLWVBXHXEANFII-RBUKOAKNSA-N 2 0 345.531 3.081 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CCC1CCCCCC1 ZINC001146399969 1378835204 /nfs/dbraw/zinc/83/52/04/1378835204.db2.gz ZGEZWNQNKQJTSD-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CCC[NH+]1CCCC1 ZINC001146532700 1378861570 /nfs/dbraw/zinc/86/15/70/1378861570.db2.gz BZPSZHUFOKZYAX-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535779 1378862750 /nfs/dbraw/zinc/86/27/50/1378862750.db2.gz OMDWSJROEWCYRJ-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP CCc1ccccc1CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593826 1378873871 /nfs/dbraw/zinc/87/38/71/1378873871.db2.gz QLTLEJQRPXSPSB-QZTJIDSGSA-N 2 0 347.547 3.005 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001146601619 1378875990 /nfs/dbraw/zinc/87/59/90/1378875990.db2.gz MWLQIYFJOVFYIK-IAGOWNOFSA-N 2 0 345.531 3.277 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001147300798 1379003022 /nfs/dbraw/zinc/00/30/22/1379003022.db2.gz DEFBCKGTRLZHPS-MSOLQXFVSA-N 2 0 349.563 3.031 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001147357990 1379008458 /nfs/dbraw/zinc/00/84/58/1379008458.db2.gz BTDBQCLCNJOHEM-ICSRJNTNSA-N 2 0 345.531 3.416 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001147359952 1379009426 /nfs/dbraw/zinc/00/94/26/1379009426.db2.gz XSFKILVOOWDPKO-VQIMIIECSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001147448971 1379023351 /nfs/dbraw/zinc/02/33/51/1379023351.db2.gz BSOKREKPNXJOIJ-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001147774162 1379076925 /nfs/dbraw/zinc/07/69/25/1379076925.db2.gz RPYMPTXDKUTDBE-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985429 1379103202 /nfs/dbraw/zinc/10/32/02/1379103202.db2.gz GVBVNRLRPDUURX-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC001148578969 1379216268 /nfs/dbraw/zinc/21/62/68/1379216268.db2.gz YBPYSLJWBHUMBS-KRWDZBQOSA-N 2 0 339.911 3.229 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605724 1379224170 /nfs/dbraw/zinc/22/41/70/1379224170.db2.gz SRQXVHXBMHFKBH-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148652175 1379234321 /nfs/dbraw/zinc/23/43/21/1379234321.db2.gz YGETXGYULPGZCI-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC001148656174 1379234926 /nfs/dbraw/zinc/23/49/26/1379234926.db2.gz XOUOQIUDZHDFTL-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148812928 1379274358 /nfs/dbraw/zinc/27/43/58/1379274358.db2.gz ZGNNGNICXIQLDZ-ARHOITHKSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001283925962 1379277350 /nfs/dbraw/zinc/27/73/50/1379277350.db2.gz FKFZTUYCVMELTP-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001284033812 1379384109 /nfs/dbraw/zinc/38/41/09/1379384109.db2.gz PGHVJEQHZGSXKP-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1Cc1ccccc1 ZINC001284130836 1379512154 /nfs/dbraw/zinc/51/21/54/1379512154.db2.gz IQWNIMQNAAUNAS-MJGOQNOKSA-N 2 0 345.531 3.134 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]CCC1CCCCCC1 ZINC001151361934 1379706083 /nfs/dbraw/zinc/70/60/83/1379706083.db2.gz PROBDQLCAPTBFQ-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001153314620 1380054829 /nfs/dbraw/zinc/05/48/29/1380054829.db2.gz PIJDNSYTQPKFDO-IBGZPJMESA-N 2 0 345.531 3.336 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153507197 1380086320 /nfs/dbraw/zinc/08/63/20/1380086320.db2.gz NVPLVNFOHRGCOX-FGTMMUONSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677595 1380113538 /nfs/dbraw/zinc/11/35/38/1380113538.db2.gz IEWZMRZHZAWNLN-OAHLLOKOSA-N 2 0 337.533 3.216 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814828 1380135502 /nfs/dbraw/zinc/13/55/02/1380135502.db2.gz ZTXZGLZLNXYYJX-IEBWSBKVSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879828 1380149185 /nfs/dbraw/zinc/14/91/85/1380149185.db2.gz MVGIOCCKVFFAOK-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001154034232 1380188154 /nfs/dbraw/zinc/18/81/54/1380188154.db2.gz XHQKATZWSNGPDV-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123040 1380213148 /nfs/dbraw/zinc/21/31/48/1380213148.db2.gz MDOYRJSLGMSIOH-IEBWSBKVSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348182 1380261333 /nfs/dbraw/zinc/26/13/33/1380261333.db2.gz UAOQTYWBOUQTMM-OAHLLOKOSA-N 2 0 330.476 3.211 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455136 1380280506 /nfs/dbraw/zinc/28/05/06/1380280506.db2.gz HCXWCSIFVFQSJA-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154482089 1380286407 /nfs/dbraw/zinc/28/64/07/1380286407.db2.gz YQJZHTLPPDYJSV-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481791 1380286733 /nfs/dbraw/zinc/28/67/33/1380286733.db2.gz UWVMHUANBRVNQY-ONOODXEBSA-N 2 0 343.943 3.078 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580675 1380309510 /nfs/dbraw/zinc/30/95/10/1380309510.db2.gz ZYKRLXGTIQJALR-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580629 1380309919 /nfs/dbraw/zinc/30/99/19/1380309919.db2.gz YOZPBDPRALBMLI-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+]C1CCN(c2cccc(NCc3cccc(OC(F)F)c3)[nH+]2)CC1 ZINC001154669537 1380328231 /nfs/dbraw/zinc/32/82/31/1380328231.db2.gz GWYQWNUTXIQLLZ-UHFFFAOYSA-N 2 0 348.397 3.223 20 0 EGADRP [NH3+]CCN(c1cccc2ccccc21)c1nccc(C2CC[NH2+]CC2)n1 ZINC001154682807 1380331054 /nfs/dbraw/zinc/33/10/54/1380331054.db2.gz AUOMPGWOSICTNY-UHFFFAOYSA-N 2 0 347.466 3.194 20 0 EGADRP CC[N@H+](CC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844525 1380363618 /nfs/dbraw/zinc/36/36/18/1380363618.db2.gz LWKTXTUBQXKTQY-APWZRJJASA-N 2 0 335.536 3.020 20 0 EGADRP COc1cc2ccc(NC[C@@]3(F)CCCC[NH2+]C3)nc2cc1OC ZINC001155116662 1380411684 /nfs/dbraw/zinc/41/16/84/1380411684.db2.gz LDVDUSKXJPJEKH-GOSISDBHSA-N 2 0 333.407 3.146 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C)[NH+](CC)CC ZINC001155174590 1380419778 /nfs/dbraw/zinc/41/97/78/1380419778.db2.gz GLQFEODXWZQZGO-QUCCMNQESA-N 2 0 347.547 3.442 20 0 EGADRP CC[N@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226417 1380426415 /nfs/dbraw/zinc/42/64/15/1380426415.db2.gz LDBOQLMQRXOGDA-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155262835 1380430067 /nfs/dbraw/zinc/43/00/67/1380430067.db2.gz IDKPXIVTVWWSBL-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)([NH2+]C[C@H]1CCC2(CC[NH2+]CC2)CO1)c1ccnc(Cl)c1 ZINC001155391325 1380445270 /nfs/dbraw/zinc/44/52/70/1380445270.db2.gz YMHVCDYUVAGGNI-OAHLLOKOSA-N 2 0 337.895 3.109 20 0 EGADRP O=C(NCC1CC[NH+](C2CCCCC2)CC1)c1cccc2c[nH+]cn21 ZINC001155800734 1380493194 /nfs/dbraw/zinc/49/31/94/1380493194.db2.gz ASOIESUMGVLYAM-UHFFFAOYSA-N 2 0 340.471 3.109 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001155813731 1380494237 /nfs/dbraw/zinc/49/42/37/1380494237.db2.gz UKPWMVYFCQVTGB-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001155812387 1380494444 /nfs/dbraw/zinc/49/44/44/1380494444.db2.gz MKJFVNRHCNCTTI-DAWZGUTISA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)CC ZINC001155877940 1380501982 /nfs/dbraw/zinc/50/19/82/1380501982.db2.gz OSTYOXWBIWTNIS-QZTJIDSGSA-N 2 0 327.557 3.371 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCC1 ZINC001156306624 1380555127 /nfs/dbraw/zinc/55/51/27/1380555127.db2.gz RYKBWQPYXVSQFG-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCC1 ZINC001156306623 1380555138 /nfs/dbraw/zinc/55/51/38/1380555138.db2.gz RYKBWQPYXVSQFG-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475750 1380581267 /nfs/dbraw/zinc/58/12/67/1380581267.db2.gz SOQGCDBGMHPUEN-GOSISDBHSA-N 2 0 337.552 3.435 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001156865399 1380708878 /nfs/dbraw/zinc/70/88/78/1380708878.db2.gz YRJADBXABWHVSS-GOSISDBHSA-N 2 0 335.455 3.426 20 0 EGADRP CC[N@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935236 1380733361 /nfs/dbraw/zinc/73/33/61/1380733361.db2.gz NUIKQXIWKLNUHR-IVGFIOLJSA-N 2 0 343.515 3.012 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086167 1380772348 /nfs/dbraw/zinc/77/23/48/1380772348.db2.gz GINZTQPGLUJTLL-QGZVFWFLSA-N 2 0 333.520 3.379 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109515 1380776890 /nfs/dbraw/zinc/77/68/90/1380776890.db2.gz PYHKVVFTROYIML-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc2nc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)ccc2c1 ZINC001157836598 1381047618 /nfs/dbraw/zinc/04/76/18/1381047618.db2.gz LMJHUXKCCWXDFI-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157973638 1381089753 /nfs/dbraw/zinc/08/97/53/1381089753.db2.gz LWWCPOVOLWPFEN-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978181 1381090663 /nfs/dbraw/zinc/09/06/63/1381090663.db2.gz OODAYKIHKNAWDB-FBYXPACISA-N 2 0 349.563 3.386 20 0 EGADRP COc1cc(N(c2cc3[nH]ccc3c(C)[nH+]2)C2CC[NH2+]CC2)ccn1 ZINC001158333822 1381204771 /nfs/dbraw/zinc/20/47/71/1381204771.db2.gz OAIKMHUEUPFQMW-UHFFFAOYSA-N 2 0 337.427 3.165 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CC2)C1 ZINC001158398381 1381231073 /nfs/dbraw/zinc/23/10/73/1381231073.db2.gz VTZWSSXFINHOOE-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001158625345 1381328675 /nfs/dbraw/zinc/32/86/75/1381328675.db2.gz OPCSIJQDIBCWCF-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158625326 1381329499 /nfs/dbraw/zinc/32/94/99/1381329499.db2.gz NSIROZISZFZFFT-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328285073 1388715254 /nfs/dbraw/zinc/71/52/54/1388715254.db2.gz QLMVCTXPJSPDEY-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001158731306 1381373429 /nfs/dbraw/zinc/37/34/29/1381373429.db2.gz WJENUPDLGCSBMG-CQSZACIVSA-N 2 0 343.862 3.016 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001158731305 1381373455 /nfs/dbraw/zinc/37/34/55/1381373455.db2.gz WJENUPDLGCSBMG-AWEZNQCLSA-N 2 0 343.862 3.016 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763624 1381387986 /nfs/dbraw/zinc/38/79/86/1381387986.db2.gz HCTYFSWVVOFANJ-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC001159155913 1381677891 /nfs/dbraw/zinc/67/78/91/1381677891.db2.gz WOINPZOYKJKLMR-UHFFFAOYSA-N 2 0 345.512 3.028 20 0 EGADRP C[NH+]1CCN(c2cncc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)c2)CC1 ZINC001159372832 1381780266 /nfs/dbraw/zinc/78/02/66/1381780266.db2.gz YCEJTDPKZCZNMM-FQEVSTJZSA-N 2 0 337.471 3.002 20 0 EGADRP CC[NH+](CC)CCn1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)cn1 ZINC001159598001 1381842469 /nfs/dbraw/zinc/84/24/69/1381842469.db2.gz CHGHSYIEZXQXQV-UHFFFAOYSA-N 2 0 341.503 3.436 20 0 EGADRP C[N@H+]1Cc2c(Nc3ccncc3C[NH3+])cccc2[C@@H](c2ccccc2)C1 ZINC001159806658 1381906551 /nfs/dbraw/zinc/90/65/51/1381906551.db2.gz AZLSMGVEQBPZRT-LJQANCHMSA-N 2 0 344.462 3.283 20 0 EGADRP c1ccc(N2CC[NH2+]CC2)c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001159814891 1381909380 /nfs/dbraw/zinc/90/93/80/1381909380.db2.gz WUSNCQDAFMGNAO-GOSISDBHSA-N 2 0 326.488 3.040 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[NH+](CC)CC)cc1 ZINC001160110327 1381999678 /nfs/dbraw/zinc/99/96/78/1381999678.db2.gz AIOBUSMFJSGYSN-VQTJNVASSA-N 2 0 345.531 3.232 20 0 EGADRP C[NH+]1CCC(COc2ccc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)CC1 ZINC001160165156 1382022407 /nfs/dbraw/zinc/02/24/07/1382022407.db2.gz WEIBGDJPACCSEI-CVEARBPZSA-N 2 0 345.462 3.366 20 0 EGADRP Fc1cccc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1OCC1CC[NH2+]CC1 ZINC001160195864 1382029627 /nfs/dbraw/zinc/02/96/27/1382029627.db2.gz ZOXZAJODTWRBCM-CABCVRRESA-N 2 0 331.435 3.024 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001160274224 1382058801 /nfs/dbraw/zinc/05/88/01/1382058801.db2.gz RIMZRDBIDGZZKH-ICSRJNTNSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001290312408 1382080297 /nfs/dbraw/zinc/08/02/97/1382080297.db2.gz KHEVDAFRCZULFH-IAGOWNOFSA-N 2 0 349.544 3.123 20 0 EGADRP c1cc2c(c(NC3=CC[C@H]([NH+]4CCCC4)CC3)c1)[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394958 1382092709 /nfs/dbraw/zinc/09/27/09/1382092709.db2.gz NTCARNLZUYXTHF-FRQCXROJSA-N 2 0 325.456 3.079 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400444 1382094217 /nfs/dbraw/zinc/09/42/17/1382094217.db2.gz QTGBRSKBPWEKRX-FBQMEGEOSA-N 2 0 347.547 3.356 20 0 EGADRP c1cc2c(c(Nc3ccc(C4CC[NH2+]CC4)cc3)c1)[C@H]1C[NH2+]C[C@H]1O2 ZINC001160400268 1382094936 /nfs/dbraw/zinc/09/49/36/1382094936.db2.gz QXADPJSIXQFZCU-FXAWDEMLSA-N 2 0 335.451 3.345 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001160426596 1382100642 /nfs/dbraw/zinc/10/06/42/1382100642.db2.gz ICDOTAANZYFMEO-FQEVSTJZSA-N 2 0 341.499 3.022 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)c1ccco1 ZINC001292285492 1382179477 /nfs/dbraw/zinc/17/94/77/1382179477.db2.gz HCTJSVVVWVTJMR-GOSISDBHSA-N 2 0 347.503 3.043 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856959 1382217012 /nfs/dbraw/zinc/21/70/12/1382217012.db2.gz SMUZMBUNTWLXGY-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160855953 1382217658 /nfs/dbraw/zinc/21/76/58/1382217658.db2.gz DRPKNEUDNPDJPS-KRWDZBQOSA-N 2 0 335.536 3.045 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160868251 1382220089 /nfs/dbraw/zinc/22/00/89/1382220089.db2.gz LEXCJIOOTOXPBT-PMACEKPBSA-N 2 0 349.563 3.460 20 0 EGADRP [NH3+]CCc1cn(-c2nc(Cl)nc3[nH]cc(Cl)c32)c2cc[nH+]cc12 ZINC001160944288 1382245567 /nfs/dbraw/zinc/24/55/67/1382245567.db2.gz CFDOFLBOMSFMIC-UHFFFAOYSA-N 2 0 347.209 3.105 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133667 1382313348 /nfs/dbraw/zinc/31/33/48/1382313348.db2.gz MCYIUOXRZNGMFF-LJQANCHMSA-N 2 0 337.552 3.147 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219940 1382347179 /nfs/dbraw/zinc/34/71/79/1382347179.db2.gz RHYKWURRPDMOLU-QGZVFWFLSA-N 2 0 337.552 3.149 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001161245781 1382353591 /nfs/dbraw/zinc/35/35/91/1382353591.db2.gz RWWHQZHMGTXZPJ-AWEZNQCLSA-N 2 0 339.911 3.227 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391654 1382396976 /nfs/dbraw/zinc/39/69/76/1382396976.db2.gz UOLNJSHGOHGZFB-FQEVSTJZSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001161518784 1382429314 /nfs/dbraw/zinc/42/93/14/1382429314.db2.gz RFDNCCNHRSPWIR-UHFFFAOYSA-N 2 0 335.536 3.236 20 0 EGADRP [NH3+][C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CCCCC1 ZINC001328594480 1388786164 /nfs/dbraw/zinc/78/61/64/1388786164.db2.gz WELPWVNSKXJANE-IBGZPJMESA-N 2 0 329.488 3.171 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC1=CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001161683152 1382479925 /nfs/dbraw/zinc/47/99/25/1382479925.db2.gz NTSMNTMVHMKIGO-HXUWFJFHSA-N 2 0 343.515 3.226 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001161750067 1382494749 /nfs/dbraw/zinc/49/47/49/1382494749.db2.gz VHTPLJHQBHFAKG-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161932526 1382558845 /nfs/dbraw/zinc/55/88/45/1382558845.db2.gz SXOKVWSTJVBSOB-UHFFFAOYSA-N 2 0 343.515 3.300 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001161952023 1382567541 /nfs/dbraw/zinc/56/75/41/1382567541.db2.gz ANBFIVRFNIMZBC-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953005 1382568511 /nfs/dbraw/zinc/56/85/11/1382568511.db2.gz OKEOERNUJGBMAG-HKUYNNGSSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)c1nc(Cl)c(C)c(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162294430 1382724059 /nfs/dbraw/zinc/72/40/59/1382724059.db2.gz IXBZYNWDWYDBMG-LBPRGKRZSA-N 2 0 327.904 3.082 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC001162617116 1382811241 /nfs/dbraw/zinc/81/12/41/1382811241.db2.gz AUORVPGWRGZDQW-IBGZPJMESA-N 2 0 336.439 3.195 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2cccc(CN3CC[C@@H]([NH3+])C3)c2)c1 ZINC001162913872 1382914585 /nfs/dbraw/zinc/91/45/85/1382914585.db2.gz MDEXEGNHXFTUAL-HNAYVOBHSA-N 2 0 334.467 3.183 20 0 EGADRP C[NH+](C)Cc1ccnc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC001163321920 1383021754 /nfs/dbraw/zinc/02/17/54/1383021754.db2.gz LOOYJFNVJWVJCE-QGZVFWFLSA-N 2 0 328.504 3.376 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC1CCCC1)C1CCC1 ZINC001328733916 1388831774 /nfs/dbraw/zinc/83/17/74/1388831774.db2.gz SFFNAPLJVDXBAK-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001163852225 1383129408 /nfs/dbraw/zinc/12/94/08/1383129408.db2.gz ZSZGDIRKLYSNAY-SFHVURJKSA-N 2 0 345.531 3.335 20 0 EGADRP Cc1cc(N2CCN(c3cc(N(C)C)cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC001164199444 1383165524 /nfs/dbraw/zinc/16/55/24/1383165524.db2.gz SEEQEIJWMDDJMR-UHFFFAOYSA-N 2 0 347.466 3.331 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164508481 1383194793 /nfs/dbraw/zinc/19/47/93/1383194793.db2.gz AUYKQRUSSMPDMI-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164515158 1383195357 /nfs/dbraw/zinc/19/53/57/1383195357.db2.gz WNXQRVMDCLDRPK-XFHJGTJQSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)CC[N@@H+]1C ZINC001164583376 1383201860 /nfs/dbraw/zinc/20/18/60/1383201860.db2.gz XZZRPNVDMHTTDL-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP CN(C)c1cc[nH+]c(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001165150197 1383236952 /nfs/dbraw/zinc/23/69/52/1383236952.db2.gz LREJBECOUZLOGA-UHFFFAOYSA-N 2 0 336.483 3.175 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccccc2O[C@H]2CC[NH2+]C2)c1F ZINC001165213648 1383250396 /nfs/dbraw/zinc/25/03/96/1383250396.db2.gz KJJLAIXJRAHLMJ-HNNXBMFYSA-N 2 0 329.419 3.372 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001165279317 1383265113 /nfs/dbraw/zinc/26/51/13/1383265113.db2.gz SOAIETUAWKURFC-QGZVFWFLSA-N 2 0 327.516 3.398 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165334105 1383276024 /nfs/dbraw/zinc/27/60/24/1383276024.db2.gz VAXJVTFCVUDJTI-XFHJGTJQSA-N 2 0 335.536 3.093 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)CCc3c[nH]cn3)CC2)CC1 ZINC001165383746 1383283017 /nfs/dbraw/zinc/28/30/17/1383283017.db2.gz UASYVTAILAEEHQ-UHFFFAOYSA-N 2 0 346.519 3.045 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)CCC1 ZINC001165464700 1383298950 /nfs/dbraw/zinc/29/89/50/1383298950.db2.gz KSPAMZUFXLGQHT-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485125 1383301042 /nfs/dbraw/zinc/30/10/42/1383301042.db2.gz MRAYCMKYHOZQGI-MJGOQNOKSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165568000 1383310698 /nfs/dbraw/zinc/31/06/98/1383310698.db2.gz DDEZTODWOUUSEG-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165569270 1383311329 /nfs/dbraw/zinc/31/13/29/1383311329.db2.gz UWIYYBUCAHSSFM-UEKDZROGSA-N 2 0 349.563 3.483 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165569272 1383311735 /nfs/dbraw/zinc/31/17/35/1383311735.db2.gz UWIYYBUCAHSSFM-ZMBJWTFHSA-N 2 0 349.563 3.483 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165618177 1383315512 /nfs/dbraw/zinc/31/55/12/1383315512.db2.gz ZGDZTBNIVZTQMS-BLGFXRMMSA-N 2 0 337.552 3.195 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001165777788 1383344763 /nfs/dbraw/zinc/34/47/63/1383344763.db2.gz XFTDWPLQJMESLK-QGZVFWFLSA-N 2 0 345.531 3.309 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001166381021 1383417458 /nfs/dbraw/zinc/41/74/58/1383417458.db2.gz WDGLGDIAMZKQHT-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166389227 1383417668 /nfs/dbraw/zinc/41/76/68/1383417668.db2.gz CLCTZNFMMOCLCO-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)[NH+](CC)CC ZINC001166447063 1383423695 /nfs/dbraw/zinc/42/36/95/1383423695.db2.gz GYBSTICRFJFKRD-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001166633176 1383450658 /nfs/dbraw/zinc/45/06/58/1383450658.db2.gz BHHZBBYFTNDCIX-QGZVFWFLSA-N 2 0 345.531 3.064 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCCC[NH2+]CC2CCCCC2)cc1 ZINC001166736627 1383468765 /nfs/dbraw/zinc/46/87/65/1383468765.db2.gz ORLZUBNOYMKUID-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166841903 1383485701 /nfs/dbraw/zinc/48/57/01/1383485701.db2.gz DUISINLPDGTKRD-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001167043696 1383526474 /nfs/dbraw/zinc/52/64/74/1383526474.db2.gz DHNUMBOGOXWCAI-GOSISDBHSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001167044952 1383527032 /nfs/dbraw/zinc/52/70/32/1383527032.db2.gz OVNDGOGYWYMUPZ-PKOBYXMFSA-N 2 0 345.531 3.210 20 0 EGADRP C[NH2+]Cc1cn(-c2cc(Cl)nc3c2CC[NH2+]C3)c2ccc(C)cc12 ZINC001167122330 1383544958 /nfs/dbraw/zinc/54/49/58/1383544958.db2.gz AZWMYEWWOSMWHV-UHFFFAOYSA-N 2 0 340.858 3.352 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)[NH+](CC)CC ZINC001167180368 1383560067 /nfs/dbraw/zinc/56/00/67/1383560067.db2.gz ZBAJQONNOZKMOR-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167237226 1383572256 /nfs/dbraw/zinc/57/22/56/1383572256.db2.gz XKPZMFCXLWQRKX-HKUYNNGSSA-N 2 0 349.563 3.031 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167627455 1383692690 /nfs/dbraw/zinc/69/26/90/1383692690.db2.gz OCLOLTQPTHGVHP-HXUWFJFHSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(-n3nc(C[NH3+])c4ccccc43)c(C)c2)CC1 ZINC001167696197 1383713183 /nfs/dbraw/zinc/71/31/83/1383713183.db2.gz AFFDIEQWPHIFIJ-UHFFFAOYSA-N 2 0 347.466 3.297 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccccc1Cn1cc[nH+]c1N ZINC001167753096 1383730354 /nfs/dbraw/zinc/73/03/54/1383730354.db2.gz CKEZMZPSWYQPRO-MRXNPFEDSA-N 2 0 327.476 3.190 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167759325 1383733889 /nfs/dbraw/zinc/73/38/89/1383733889.db2.gz SHLXUTHARNVBRN-UHFFFAOYSA-N 2 0 346.519 3.074 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC(CC)CC)CC1 ZINC001167812659 1383746020 /nfs/dbraw/zinc/74/60/20/1383746020.db2.gz SHZOXQRYBUCPPR-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC001167826046 1383750236 /nfs/dbraw/zinc/75/02/36/1383750236.db2.gz MBXAZVSAAHXUQE-SFHVURJKSA-N 2 0 335.511 3.454 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC001167827156 1383750835 /nfs/dbraw/zinc/75/08/35/1383750835.db2.gz UDHINBKFCGSTME-HXUWFJFHSA-N 2 0 347.547 3.194 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001167834159 1383752845 /nfs/dbraw/zinc/75/28/45/1383752845.db2.gz IJHVWOBDFLHHQA-ZACQAIPSSA-N 2 0 341.540 3.484 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2cccc(OC)n2)CC1 ZINC001167834365 1383753506 /nfs/dbraw/zinc/75/35/06/1383753506.db2.gz JCLYAXYLWLVOGF-QGZVFWFLSA-N 2 0 349.519 3.444 20 0 EGADRP CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@H]1C ZINC001167834815 1383753795 /nfs/dbraw/zinc/75/37/95/1383753795.db2.gz MWFCVRIETCFJDB-SQNIBIBYSA-N 2 0 326.525 3.408 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1ccc(F)cn1)C1CC[NH2+]CC1 ZINC001167834969 1383754013 /nfs/dbraw/zinc/75/40/13/1383754013.db2.gz OBJFGJYCLYEDBS-INIZCTEOSA-N 2 0 336.499 3.290 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001167836366 1383755396 /nfs/dbraw/zinc/75/53/96/1383755396.db2.gz YPTHWQXAKVDKFM-DFQSSKMNSA-N 2 0 346.515 3.386 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC001167840753 1383756114 /nfs/dbraw/zinc/75/61/14/1383756114.db2.gz IIDNDAPDXQCKLB-INIZCTEOSA-N 2 0 332.488 3.342 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)OC(=O)c1ncccc12 ZINC001167840048 1383756163 /nfs/dbraw/zinc/75/61/63/1383756163.db2.gz DLECYHNIPBVNAR-INIZCTEOSA-N 2 0 345.487 3.054 20 0 EGADRP c1ccc(CN2CC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969963 1383782214 /nfs/dbraw/zinc/78/22/14/1383782214.db2.gz IIBVMBAFXFCDKN-KBRMVUAJSA-N 2 0 339.527 3.256 20 0 EGADRP Cc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)n1 ZINC001167977536 1383784743 /nfs/dbraw/zinc/78/47/43/1383784743.db2.gz DOBJWHFLYWDCCV-YQQQUEKLSA-N 2 0 325.500 3.417 20 0 EGADRP Fc1cccnc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167979129 1383785142 /nfs/dbraw/zinc/78/51/42/1383785142.db2.gz VZPCTSDZCMLLGL-ALOPSCKCSA-N 2 0 329.463 3.247 20 0 EGADRP Cc1cccnc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167977441 1383785383 /nfs/dbraw/zinc/78/53/83/1383785383.db2.gz CIQDJCZAZWPDGV-YQQQUEKLSA-N 2 0 325.500 3.417 20 0 EGADRP O[C@@]1(C(F)(F)F)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167982811 1383787035 /nfs/dbraw/zinc/78/70/35/1383787035.db2.gz BAXGRPKDMQKPAU-WFVVYAPDSA-N 2 0 346.437 3.171 20 0 EGADRP CCOC(=O)C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1C ZINC001168002733 1383793026 /nfs/dbraw/zinc/79/30/26/1383793026.db2.gz WLWADVNIKZOIET-KWVUDZMESA-N 2 0 348.531 3.303 20 0 EGADRP C[C@H]1CC([NH2+]CC2CC[NH+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009324 1383795959 /nfs/dbraw/zinc/79/59/59/1383795959.db2.gz ZXSNSMRYLMQOMN-ROUUACIJSA-N 3 0 329.532 3.359 20 0 EGADRP COCCOCCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168032662 1383801209 /nfs/dbraw/zinc/80/12/09/1383801209.db2.gz IVVGRWXGJLHJQO-QZTJIDSGSA-N 2 0 334.504 3.071 20 0 EGADRP COCC1([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC001168033304 1383801320 /nfs/dbraw/zinc/80/13/20/1383801320.db2.gz KKGSNLFLPPQHOE-ROUUACIJSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@@H]1CC(N(C)CC[NH+]2CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064317 1383808507 /nfs/dbraw/zinc/80/85/07/1383808507.db2.gz QBRMUBQVYUVMQP-RTBURBONSA-N 2 0 329.532 3.456 20 0 EGADRP COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066612 1383809578 /nfs/dbraw/zinc/80/95/78/1383809578.db2.gz QODKSNHDVUJPBV-NZGUISNBSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168297804 1383866409 /nfs/dbraw/zinc/86/64/09/1383866409.db2.gz XMSOCMBAZRNQKS-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001168304090 1383868501 /nfs/dbraw/zinc/86/85/01/1383868501.db2.gz OTVSRQWRNGQLKO-UHFFFAOYSA-N 2 0 346.368 3.490 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cn(Cc3ccccc3F)cn2)CC1 ZINC001168306299 1383868823 /nfs/dbraw/zinc/86/88/23/1383868823.db2.gz VQSOIWJZPVRZHG-UHFFFAOYSA-N 2 0 330.451 3.033 20 0 EGADRP COC(=O)CCC[N@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168313390 1383870529 /nfs/dbraw/zinc/87/05/29/1383870529.db2.gz BGHTWRNGCQKXFF-UHFFFAOYSA-N 2 0 332.488 3.315 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168320708 1383872369 /nfs/dbraw/zinc/87/23/69/1383872369.db2.gz LPKVEQDADYIBEF-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001168324352 1383873522 /nfs/dbraw/zinc/87/35/22/1383873522.db2.gz MNKICRUMLMJYSC-UHFFFAOYSA-N 3 0 329.532 3.456 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@@H](c2ccccc2)C1 ZINC001168328250 1383874543 /nfs/dbraw/zinc/87/45/43/1383874543.db2.gz BOZZWFGLSKOCAP-YNIZLOQISA-N 2 0 344.499 3.486 20 0 EGADRP CC[C@@H](CC[NH2+]C1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001168363044 1383883456 /nfs/dbraw/zinc/88/34/56/1383883456.db2.gz RINNJIDIJGEESB-INIZCTEOSA-N 2 0 339.524 3.144 20 0 EGADRP Fc1ccccc1CC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC001168368564 1383885806 /nfs/dbraw/zinc/88/58/06/1383885806.db2.gz LODGKUPDHPQYGK-UHFFFAOYSA-N 2 0 346.490 3.381 20 0 EGADRP c1ccc2c(c1)OCC21CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168388736 1383892477 /nfs/dbraw/zinc/89/24/77/1383892477.db2.gz HVGFPRGWMAXKLY-UHFFFAOYSA-N 2 0 326.484 3.287 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001168595602 1383944563 /nfs/dbraw/zinc/94/45/63/1383944563.db2.gz LULMYTCBUFZEQE-UVTDQMKNSA-N 2 0 345.531 3.308 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)C(C)C ZINC001168667398 1383964855 /nfs/dbraw/zinc/96/48/55/1383964855.db2.gz UFOHLVZTKNUQLF-YNEJIKTKSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CN1C(=O)OC(C)(C)C ZINC001168840318 1384029208 /nfs/dbraw/zinc/02/92/08/1384029208.db2.gz ULWVGCSHDIIKHV-ZACQAIPSSA-N 2 0 339.524 3.225 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001168840590 1384029275 /nfs/dbraw/zinc/02/92/75/1384029275.db2.gz VFLAGCQVNMNIMS-VQHPVUNQSA-N 2 0 339.524 3.093 20 0 EGADRP Nc1[nH]c2ccc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)cc2[nH+]1 ZINC001168996635 1384082035 /nfs/dbraw/zinc/08/20/35/1384082035.db2.gz UZIQVYXYEKGYQQ-UHFFFAOYSA-N 2 0 340.818 3.029 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169069593 1384103181 /nfs/dbraw/zinc/10/31/81/1384103181.db2.gz IOIYRIRMGKBWTI-LJQANCHMSA-N 2 0 346.515 3.390 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3F)CCOCC1)C2 ZINC001169096824 1384106375 /nfs/dbraw/zinc/10/63/75/1384106375.db2.gz YVFKTUJELBSGQK-BJWYYQGGSA-N 2 0 332.463 3.089 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001169098662 1384106898 /nfs/dbraw/zinc/10/68/98/1384106898.db2.gz KRTZJBGFRTVZAD-OWZKRDHZSA-N 2 0 331.479 3.005 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169107607 1384107696 /nfs/dbraw/zinc/10/76/96/1384107696.db2.gz IGCUCRDVHKXZSS-OUZSPBKPSA-N 2 0 339.527 3.397 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169111127 1384108514 /nfs/dbraw/zinc/10/85/14/1384108514.db2.gz NQNNACHNWOCRND-WKCHPHFGSA-N 3 0 333.564 3.494 20 0 EGADRP COc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)ccc1F ZINC001308206130 1384109152 /nfs/dbraw/zinc/10/91/52/1384109152.db2.gz OZJNLLBFEJUUJE-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001169133369 1384111855 /nfs/dbraw/zinc/11/18/55/1384111855.db2.gz FAQFGNJOXIZVDI-YRIDSSQKSA-N 2 0 341.499 3.188 20 0 EGADRP CC1(C)C[C@@H](Nc2cccc(CN3CC[C@@H]([NH3+])C3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151430 1384115553 /nfs/dbraw/zinc/11/55/53/1384115553.db2.gz JNAJEVCOHCVVDT-YFVAEKQCSA-N 2 0 344.547 3.175 20 0 EGADRP c1ccc2c(c1)CC([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC001308364070 1384122017 /nfs/dbraw/zinc/12/20/17/1384122017.db2.gz QKDGRHAFRDHFAK-UHFFFAOYSA-N 2 0 336.479 3.418 20 0 EGADRP CC[NH+]1CCC(N2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001169254836 1384127843 /nfs/dbraw/zinc/12/78/43/1384127843.db2.gz IRNZMVLZEGRDHO-UHFFFAOYSA-N 2 0 331.504 3.052 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169275209 1384130898 /nfs/dbraw/zinc/13/08/98/1384130898.db2.gz OIMNBIFNWXXSRA-QHGAOEGBSA-N 2 0 344.499 3.476 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC001308970411 1384163117 /nfs/dbraw/zinc/16/31/17/1384163117.db2.gz KDUXDRZDHCZASU-KRWDZBQOSA-N 2 0 339.524 3.240 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809736 1384187810 /nfs/dbraw/zinc/18/78/10/1384187810.db2.gz JVOPMDPJJFQKML-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001169811833 1384188213 /nfs/dbraw/zinc/18/82/13/1384188213.db2.gz YDTMMYRBYAQFNH-QUCCMNQESA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)C1 ZINC001170145029 1384247890 /nfs/dbraw/zinc/24/78/90/1384247890.db2.gz RMCJOPTZVQROQW-UYAOXDASSA-N 2 0 343.515 3.185 20 0 EGADRP CC[C@H]1C[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CCO1 ZINC001170221405 1384268886 /nfs/dbraw/zinc/26/88/86/1384268886.db2.gz ORTKGFQVIBGKJU-PMACEKPBSA-N 2 0 343.515 3.327 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001170420840 1384314091 /nfs/dbraw/zinc/31/40/91/1384314091.db2.gz NIHFZZOCEUGETH-KRWDZBQOSA-N 2 0 332.488 3.446 20 0 EGADRP Cc1cnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc1C ZINC001170525182 1384335763 /nfs/dbraw/zinc/33/57/63/1384335763.db2.gz JADWKZDTKMDGGM-UHFFFAOYSA-N 2 0 349.482 3.003 20 0 EGADRP Fc1cc(F)c2c(c1)CC[C@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001170686415 1384365883 /nfs/dbraw/zinc/36/58/83/1384365883.db2.gz ZPPFSVFESVIDNU-KRWDZBQOSA-N 2 0 329.394 3.039 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@@H]4[C@H](C3)C4(C)C)cc2)CC1 ZINC001170724477 1384374169 /nfs/dbraw/zinc/37/41/69/1384374169.db2.gz KNMRAFZXQLFKFC-MZADTFQBSA-N 2 0 341.543 3.348 20 0 EGADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170753917 1384379924 /nfs/dbraw/zinc/37/99/24/1384379924.db2.gz SXFAQZQBKYXMNL-GQUPQBGVSA-N 2 0 332.532 3.101 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001170755890 1384380215 /nfs/dbraw/zinc/38/02/15/1384380215.db2.gz IAMKBBRQBXRLPB-UHFFFAOYSA-N 2 0 349.563 3.031 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170817754 1384390578 /nfs/dbraw/zinc/39/05/78/1384390578.db2.gz OCEDVNYTYDHUTJ-YLJYHZDGSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170817751 1384390702 /nfs/dbraw/zinc/39/07/02/1384390702.db2.gz OCEDVNYTYDHUTJ-PXNSSMCTSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCCCF)CC[N@@H+]1C ZINC001170870462 1384401905 /nfs/dbraw/zinc/40/19/05/1384401905.db2.gz HKSWRQPFIQGXMH-FGTMMUONSA-N 2 0 343.531 3.121 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C)CC[N@@H+]1C ZINC001170871370 1384402247 /nfs/dbraw/zinc/40/22/47/1384402247.db2.gz OXOMKWTUCLVMEY-GBESFXJTSA-N 2 0 339.568 3.418 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001170880061 1384403749 /nfs/dbraw/zinc/40/37/49/1384403749.db2.gz RUQSFWIAYRYRPB-UWWQBHOKSA-N 2 0 349.316 3.190 20 0 EGADRP Cc1nc2sc(-c3ccccc3)cc2c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170898319 1384407632 /nfs/dbraw/zinc/40/76/32/1384407632.db2.gz SRKXPHSEMMFWDE-HNNXBMFYSA-N 2 0 327.457 3.102 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001170900066 1384407783 /nfs/dbraw/zinc/40/77/83/1384407783.db2.gz OTAIAVMSLQMRQC-AWEZNQCLSA-N 2 0 340.349 3.328 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001171119908 1384449731 /nfs/dbraw/zinc/44/97/31/1384449731.db2.gz KOVDKPQKFXILSQ-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238576 1384476655 /nfs/dbraw/zinc/47/66/55/1384476655.db2.gz WBPRKNQOPYHQSL-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001171238601 1384477059 /nfs/dbraw/zinc/47/70/59/1384477059.db2.gz WJNRUSZMAWYVGY-IEBWSBKVSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)CCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171242247 1384477279 /nfs/dbraw/zinc/47/72/79/1384477279.db2.gz AVALAVLGCBYIPW-YQQQUEKLSA-N 2 0 343.515 3.142 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248391 1384478332 /nfs/dbraw/zinc/47/83/32/1384478332.db2.gz UEJYIHRSDBCPKA-XLIONFOSSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261714 1384481380 /nfs/dbraw/zinc/48/13/80/1384481380.db2.gz ZIMDBCTXJCWLLK-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261677 1384481481 /nfs/dbraw/zinc/48/14/81/1384481481.db2.gz YCVHEWFMMVKMPF-KRWDZBQOSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171331257 1384496120 /nfs/dbraw/zinc/49/61/20/1384496120.db2.gz XUSCIVRYVVBJPQ-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171413471 1384517219 /nfs/dbraw/zinc/51/72/19/1384517219.db2.gz HCRJWXRMCZSCLC-SFHVURJKSA-N 2 0 339.458 3.114 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171537817 1384556426 /nfs/dbraw/zinc/55/64/26/1384556426.db2.gz HYZASGXKZRFPAG-QFBILLFUSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH+]1CCC([NH3+])(Cc3ccccn3)CC1)C2 ZINC001171559107 1384562189 /nfs/dbraw/zinc/56/21/89/1384562189.db2.gz VTKANMAMOMJXCN-FQEVSTJZSA-N 2 0 335.495 3.283 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH+]1CCC([N@H+](C)C3CCOCC3)CC1)C2 ZINC001171575371 1384568026 /nfs/dbraw/zinc/56/80/26/1384568026.db2.gz VODSHQMZHBYZFG-NRFANRHFSA-N 2 0 342.527 3.428 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@@H](CO)Cc2ccc(F)cc2F)CC1(C)C ZINC001171628612 1384585130 /nfs/dbraw/zinc/58/51/30/1384585130.db2.gz CURRNNGXUNFJGL-OAHLLOKOSA-N 2 0 340.458 3.109 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)ccc2c[nH+]cn21 ZINC001171629287 1384585492 /nfs/dbraw/zinc/58/54/92/1384585492.db2.gz KCWHIDNOIXYHNG-HNNXBMFYSA-N 2 0 342.487 3.321 20 0 EGADRP COc1cccc(C2(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n1 ZINC001171630492 1384586490 /nfs/dbraw/zinc/58/64/90/1384586490.db2.gz PFEOEFKJNOSAEB-UHFFFAOYSA-N 2 0 331.504 3.363 20 0 EGADRP CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637441 1384587879 /nfs/dbraw/zinc/58/78/79/1384587879.db2.gz NSCSFEOUULEWNU-NRFANRHFSA-N 2 0 349.563 3.361 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CC[NH+](CCc3ccccc3)CC2)CC1(C)C ZINC001171635966 1384588144 /nfs/dbraw/zinc/58/81/44/1384588144.db2.gz AWXSKFYSBJXXHC-UHFFFAOYSA-N 2 0 343.559 3.498 20 0 EGADRP Cc1nccnc1O[C@H]1CCC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641353 1384589609 /nfs/dbraw/zinc/58/96/09/1384589609.db2.gz PQOACIHJZBDEBF-KRWDZBQOSA-N 2 0 346.519 3.280 20 0 EGADRP Cc1cc(O[C@H]2CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)ncn1 ZINC001171640637 1384589962 /nfs/dbraw/zinc/58/99/62/1384589962.db2.gz HVYBUKDNAMFYMK-KRWDZBQOSA-N 2 0 346.519 3.280 20 0 EGADRP C[C@@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171732587 1384618198 /nfs/dbraw/zinc/61/81/98/1384618198.db2.gz CRIWNUFLTWMIHM-DYESRHJHSA-N 2 0 327.516 3.113 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171782777 1384634273 /nfs/dbraw/zinc/63/42/73/1384634273.db2.gz FWSFCVPQHHPKHF-QGZVFWFLSA-N 2 0 328.431 3.023 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785975 1384636158 /nfs/dbraw/zinc/63/61/58/1384636158.db2.gz VJOIZKMHKICIHN-GUDVDZBRSA-N 2 0 339.458 3.460 20 0 EGADRP COc1ccc(C2([NH3+])CC[NH+]([C@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171788732 1384637513 /nfs/dbraw/zinc/63/75/13/1384637513.db2.gz WFLJCWBFZQTWQF-KRWDZBQOSA-N 2 0 340.442 3.252 20 0 EGADRP Fc1cccc2c1C[C@H]([NH+]1CCC(COCC[NH+]3CCCC3)CC1)C2 ZINC001171795507 1384639841 /nfs/dbraw/zinc/63/98/41/1384639841.db2.gz XVTKHMLZAUEQLC-LJQANCHMSA-N 2 0 346.490 3.117 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171820197 1384650388 /nfs/dbraw/zinc/65/03/88/1384650388.db2.gz CLRMOMALLYNAIV-BQJWPVKWSA-N 2 0 339.524 3.413 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]CC2CC[NH+](CC(C)C)CC2)CC1 ZINC001171943707 1384691861 /nfs/dbraw/zinc/69/18/61/1384691861.db2.gz DWBXWMYFRPDFRH-UHFFFAOYSA-N 2 0 338.536 3.456 20 0 EGADRP Cc1nn(C)cc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969633 1384698684 /nfs/dbraw/zinc/69/86/84/1384698684.db2.gz VTUUJHVBIZHXOZ-LJQANCHMSA-N 2 0 326.488 3.261 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977702 1384702888 /nfs/dbraw/zinc/70/28/88/1384702888.db2.gz UBWCGEMFHSZJPH-OALUTQOASA-N 2 0 344.499 3.315 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001316935016 1384706019 /nfs/dbraw/zinc/70/60/19/1384706019.db2.gz AQUGPHJJGUVJPT-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063627 1384715250 /nfs/dbraw/zinc/71/52/50/1384715250.db2.gz CHGIHOOMHZFSOD-XNTOXWQXSA-N 2 0 328.500 3.465 20 0 EGADRP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC001172075118 1384720910 /nfs/dbraw/zinc/72/09/10/1384720910.db2.gz NZDQQTZQYOQFSM-PBASOCQRSA-N 2 0 327.516 3.208 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316948492 1384720909 /nfs/dbraw/zinc/72/09/09/1384720909.db2.gz GJMMKXHPFJYTNS-RBUKOAKNSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@H+](CCC1OCCO1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083178 1384722435 /nfs/dbraw/zinc/72/24/35/1384722435.db2.gz OBLHHRUQYUCFAD-ACDBMABISA-N 2 0 344.499 3.267 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C2 ZINC001172106562 1384728249 /nfs/dbraw/zinc/72/82/49/1384728249.db2.gz QENXXDFVAHHDKW-NXOAAHMSSA-N 2 0 342.405 3.344 20 0 EGADRP Cc1cccc(C[NH+]2CC[C@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172113741 1384731056 /nfs/dbraw/zinc/73/10/56/1384731056.db2.gz JWMOTCLENMFODZ-BURNTYAHSA-N 2 0 327.516 3.174 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](C3(c4ccccc4)CC3)CC1)C2 ZINC001172122360 1384734151 /nfs/dbraw/zinc/73/41/51/1384734151.db2.gz AEUDDIWPRZYRIZ-WKCHPHFGSA-N 2 0 339.527 3.309 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC001172218552 1384750043 /nfs/dbraw/zinc/75/00/43/1384750043.db2.gz XNNRPWVNEKJGLJ-XPMJQDLXSA-N 2 0 326.484 3.197 20 0 EGADRP COc1cccc(C[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172236183 1384753576 /nfs/dbraw/zinc/75/35/76/1384753576.db2.gz NRPCGHXOMRWCAM-IODSQDMPSA-N 2 0 342.483 3.253 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)COc2cc(C)cc(C)c2)CC1 ZINC001172243384 1384755043 /nfs/dbraw/zinc/75/50/43/1384755043.db2.gz HZEWSJYVGKOTQZ-SFHVURJKSA-N 2 0 334.504 3.161 20 0 EGADRP COCCC[NH+]1CCC(NC(=[NH2+])c2cccc3ccccc32)CC1 ZINC001172248094 1384755674 /nfs/dbraw/zinc/75/56/74/1384755674.db2.gz XBYIXDVMLSUFRU-UHFFFAOYSA-N 2 0 325.456 3.256 20 0 EGADRP CCCC[C@@H]1C[C@@H]([N@H+](C)C[C@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172638128 1384823980 /nfs/dbraw/zinc/82/39/80/1384823980.db2.gz UOPNPPGOAASJPQ-IXDOHACOSA-N 2 0 341.540 3.471 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001172776441 1384849694 /nfs/dbraw/zinc/84/96/94/1384849694.db2.gz GCQHNZUFHLJARL-OALUTQOASA-N 2 0 336.520 3.210 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001172791043 1384852582 /nfs/dbraw/zinc/85/25/82/1384852582.db2.gz GJEJAAGSDCCDNO-OALUTQOASA-N 2 0 336.520 3.162 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001172795822 1384854044 /nfs/dbraw/zinc/85/40/44/1384854044.db2.gz CEHNOVGMBAZADC-MSOLQXFVSA-N 2 0 336.520 3.353 20 0 EGADRP Cc1ccc2c(c1)C[C@H](N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC001172832494 1384861773 /nfs/dbraw/zinc/86/17/73/1384861773.db2.gz WVNHINHATLJIBI-OAQYLSRUSA-N 2 0 331.548 3.058 20 0 EGADRP CO[C@H]1CCC[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001172942393 1384884845 /nfs/dbraw/zinc/88/48/45/1384884845.db2.gz OURVHINMCPMPIQ-PMACEKPBSA-N 2 0 343.515 3.327 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001172958684 1384890709 /nfs/dbraw/zinc/89/07/09/1384890709.db2.gz XTKWULMUDWJKKW-OAGGEKHMSA-N 2 0 327.513 3.094 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075360 1384908683 /nfs/dbraw/zinc/90/86/83/1384908683.db2.gz KOSUPEAMDCSLOS-HZPDHXFCSA-N 2 0 327.513 3.048 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCc2ccc(NC(C)=O)cc2)CC1 ZINC001173105101 1384915721 /nfs/dbraw/zinc/91/57/21/1384915721.db2.gz ACFIQHYUAPKJHJ-UHFFFAOYSA-N 2 0 331.504 3.430 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)Cc2ccccc2Cl)CC1 ZINC001173104807 1384915763 /nfs/dbraw/zinc/91/57/63/1384915763.db2.gz WIMSPNQLKCXPLP-ADKAHSJRSA-N 2 0 338.923 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2nnc(-c3ccccc3)o2)CC1 ZINC001173105909 1384915767 /nfs/dbraw/zinc/91/57/67/1384915767.db2.gz YFVRPJFJVLKABT-UHFFFAOYSA-N 2 0 328.460 3.479 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC001173108026 1384916021 /nfs/dbraw/zinc/91/60/21/1384916021.db2.gz BQTCXHYBLYUHOZ-UHFFFAOYSA-N 2 0 330.520 3.247 20 0 EGADRP CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173108432 1384916086 /nfs/dbraw/zinc/91/60/86/1384916086.db2.gz KKLMQAMYZQBFCG-VIQWUECVSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3ncccc3C)CC2)CC1 ZINC001173108893 1384916179 /nfs/dbraw/zinc/91/61/79/1384916179.db2.gz SWRWFSVJRXELQE-UHFFFAOYSA-N 2 0 330.520 3.165 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cncnc2C(C)(F)F)CC1 ZINC001173108428 1384916485 /nfs/dbraw/zinc/91/64/85/1384916485.db2.gz KETQTQDKQFYYOO-UHFFFAOYSA-N 2 0 326.435 3.331 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001173110441 1384916861 /nfs/dbraw/zinc/91/68/61/1384916861.db2.gz SDDAJPODTOGEEH-GTPINHCMSA-N 2 0 339.524 3.238 20 0 EGADRP CC[C@H]1[N@@H+](C2CCC([NH+](CC)CC)CC2)CCC[C@]12CCC(=O)N2 ZINC001173109873 1384917098 /nfs/dbraw/zinc/91/70/98/1384917098.db2.gz DUUUPSXGUKJBNO-ZZVGESKWSA-N 2 0 335.536 3.163 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)CC1 ZINC001173113075 1384918005 /nfs/dbraw/zinc/91/80/05/1384918005.db2.gz GTPBODZPWZRXIY-TVPLGVNVSA-N 2 0 347.503 3.196 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173126805 1384919013 /nfs/dbraw/zinc/91/90/13/1384919013.db2.gz REWDYYDMJWMLEC-ULQDDVLXSA-N 2 0 342.512 3.168 20 0 EGADRP C[C@@]12CC3([NH3+])CC([NH2+][C@@H]4CCc5ncsc5C4)(C1)C[C@](C)(C3)C2 ZINC001173133505 1384920567 /nfs/dbraw/zinc/92/05/67/1384920567.db2.gz UYCXXHPGGUZTEH-RCRILGIPSA-N 2 0 331.529 3.420 20 0 EGADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001173149846 1384924468 /nfs/dbraw/zinc/92/44/68/1384924468.db2.gz IZRSISIPFBQRJZ-KRWDZBQOSA-N 2 0 332.488 3.100 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](CC3CCC3)CC1)CO2 ZINC001173150771 1384925548 /nfs/dbraw/zinc/92/55/48/1384925548.db2.gz OVBIFYPOEQUGCO-SFHVURJKSA-N 2 0 344.499 3.100 20 0 EGADRP CCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC001173352023 1384963521 /nfs/dbraw/zinc/96/35/21/1384963521.db2.gz CXTZLHKGXHLZAA-GOSISDBHSA-N 2 0 335.923 3.236 20 0 EGADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CC[NH+](C)CC1 ZINC001173541845 1384980833 /nfs/dbraw/zinc/98/08/33/1384980833.db2.gz DMNNVIMHIRYLLF-AWEZNQCLSA-N 2 0 344.330 3.152 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CCN(C(CC)CC)C1)CC2 ZINC001173605818 1384986241 /nfs/dbraw/zinc/98/62/41/1384986241.db2.gz GYYVMTJOKHGFSV-OUBFZGACSA-N 2 0 336.520 3.351 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001173714940 1385007589 /nfs/dbraw/zinc/00/75/89/1385007589.db2.gz LJFMFSHTRUSOMZ-SJORKVTESA-N 2 0 332.488 3.258 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173715189 1385007774 /nfs/dbraw/zinc/00/77/74/1385007774.db2.gz UBDPMQDBHCAMPB-CDHQVMDDSA-N 2 0 344.499 3.386 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)c(C)c1C ZINC001317271346 1385041850 /nfs/dbraw/zinc/04/18/50/1385041850.db2.gz YVCBTCFCHVMHTO-AWEZNQCLSA-N 2 0 347.547 3.165 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001317355051 1385102077 /nfs/dbraw/zinc/10/20/77/1385102077.db2.gz KUTAVYHYKRAGAH-PMACEKPBSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650629 1385130230 /nfs/dbraw/zinc/13/02/30/1385130230.db2.gz RYWGUINUNXBGFP-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905686 1385168344 /nfs/dbraw/zinc/16/83/44/1385168344.db2.gz MLULKARHHKGTNK-AOIWGVFYSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174927324 1385171079 /nfs/dbraw/zinc/17/10/79/1385171079.db2.gz CGAJQKBZIPTERP-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174962564 1385175362 /nfs/dbraw/zinc/17/53/62/1385175362.db2.gz VEYZBWRQLQOYSZ-JNMQVBFRSA-N 2 0 345.531 3.306 20 0 EGADRP CCCC[N@H+](CCn1ccccc1=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984511 1385178664 /nfs/dbraw/zinc/17/86/64/1385178664.db2.gz RBJHIBDITGVPDJ-UHFFFAOYSA-N 2 0 333.520 3.260 20 0 EGADRP Cc1ccccc1CCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175047774 1385186167 /nfs/dbraw/zinc/18/61/67/1385186167.db2.gz BSCSZDZZRYQJSN-IBGZPJMESA-N 2 0 347.547 3.144 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175055399 1385187312 /nfs/dbraw/zinc/18/73/12/1385187312.db2.gz GPSYRWBOYICVNW-SFHVURJKSA-N 2 0 333.520 3.020 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175107799 1385196045 /nfs/dbraw/zinc/19/60/45/1385196045.db2.gz QAMHLDHMGNRPIB-CWDJHMJFSA-N 2 0 325.541 3.194 20 0 EGADRP CCOc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC001175166601 1385210346 /nfs/dbraw/zinc/21/03/46/1385210346.db2.gz JPVMPZOLHCTARR-UHFFFAOYSA-N 2 0 326.444 3.284 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255427 1385230007 /nfs/dbraw/zinc/23/00/07/1385230007.db2.gz FLYZYZDTPFZOQX-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175265026 1385234297 /nfs/dbraw/zinc/23/42/97/1385234297.db2.gz WTRMLHLRKWTTGA-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175265512 1385235213 /nfs/dbraw/zinc/23/52/13/1385235213.db2.gz YZHCTVNKPCSCMH-QFBILLFUSA-N 2 0 343.531 3.264 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295526 1385242909 /nfs/dbraw/zinc/24/29/09/1385242909.db2.gz GLRORZVRHWMMRO-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)c1 ZINC001175318373 1385251910 /nfs/dbraw/zinc/25/19/10/1385251910.db2.gz ZFIGSOWEDZZEMH-PXNSSMCTSA-N 2 0 347.547 3.354 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175571559 1385334957 /nfs/dbraw/zinc/33/49/57/1385334957.db2.gz CBXHUODYIRHVOP-ROUUACIJSA-N 2 0 325.541 3.314 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175571557 1385335061 /nfs/dbraw/zinc/33/50/61/1385335061.db2.gz CBXHUODYIRHVOP-QZTJIDSGSA-N 2 0 325.541 3.314 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581332 1385338731 /nfs/dbraw/zinc/33/87/31/1385338731.db2.gz KQHWZYDVPFTSDA-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001317673310 1385379365 /nfs/dbraw/zinc/37/93/65/1385379365.db2.gz BTOKRGDHXMFTTH-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3c[nH+]ccc3N(C)C)cc2)CC1 ZINC001175779761 1385402873 /nfs/dbraw/zinc/40/28/73/1385402873.db2.gz UUNZSGGYFUQPTQ-UHFFFAOYSA-N 2 0 325.460 3.033 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967593 1385447875 /nfs/dbraw/zinc/44/78/75/1385447875.db2.gz MACHTDLUVWCMEE-FUHWJXTLSA-N 2 0 343.531 3.120 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1ccc(Nc2ccc(C[NH3+])cc2)cc1 ZINC001175968741 1385448186 /nfs/dbraw/zinc/44/81/86/1385448186.db2.gz NQJGRZSRVFVCFK-UHFFFAOYSA-N 2 0 341.455 3.388 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001317787465 1385479553 /nfs/dbraw/zinc/47/95/53/1385479553.db2.gz GFZWVNYXGIRAGU-INIZCTEOSA-N 2 0 349.544 3.052 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001176111084 1385487100 /nfs/dbraw/zinc/48/71/00/1385487100.db2.gz FUJWSVOLOJPQHF-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176167029 1385500908 /nfs/dbraw/zinc/50/09/08/1385500908.db2.gz WFHWVBZBWHYLLC-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC(CC)CC ZINC001176269747 1385533493 /nfs/dbraw/zinc/53/34/93/1385533493.db2.gz XGADZNICJKUMLP-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001176286935 1385539668 /nfs/dbraw/zinc/53/96/68/1385539668.db2.gz ZSIGPDHJSCGWCL-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CCc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317949810 1385583346 /nfs/dbraw/zinc/58/33/46/1385583346.db2.gz MEQOBBHQBFYHFE-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176574901 1385630044 /nfs/dbraw/zinc/63/00/44/1385630044.db2.gz WFLXDSUXVWXNQF-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001176583821 1385632249 /nfs/dbraw/zinc/63/22/49/1385632249.db2.gz XGPBOPAORWKNIF-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001176591667 1385635107 /nfs/dbraw/zinc/63/51/07/1385635107.db2.gz NUPJEKQIZPBBFM-SFHVURJKSA-N 2 0 345.531 3.109 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176739574 1385677299 /nfs/dbraw/zinc/67/72/99/1385677299.db2.gz WWZZTQKYPAOZTA-PXPVJAHISA-N 2 0 337.552 3.483 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CC[NH+]1CCCCC1 ZINC001176739114 1385677327 /nfs/dbraw/zinc/67/73/27/1385677327.db2.gz UCFVZXBVFUFITO-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176739571 1385677557 /nfs/dbraw/zinc/67/75/57/1385677557.db2.gz WWZZTQKYPAOZTA-HMECNJMJSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753346 1385684014 /nfs/dbraw/zinc/68/40/14/1385684014.db2.gz GNEQEKSOIGBYPE-MSOLQXFVSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176753272 1385684184 /nfs/dbraw/zinc/68/41/84/1385684184.db2.gz DOIFKTVTTRJJMR-XBMUEBEBSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)CCCC[NH+]1CCCC1 ZINC001176816202 1385712619 /nfs/dbraw/zinc/71/26/19/1385712619.db2.gz YWTDJQAVPDBEEX-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001176884522 1385730897 /nfs/dbraw/zinc/73/08/97/1385730897.db2.gz LPOWYOJDQAYKSR-MOPGFXCFSA-N 2 0 337.552 3.175 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176884886 1385731774 /nfs/dbraw/zinc/73/17/74/1385731774.db2.gz ULRRWJPQROFGCP-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CC2CCCCC2)c1 ZINC001176890421 1385733853 /nfs/dbraw/zinc/73/38/53/1385733853.db2.gz SRINDSRZMNANBE-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001176998512 1385769187 /nfs/dbraw/zinc/76/91/87/1385769187.db2.gz ADGBBFQHLCPJPP-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001177330387 1385916555 /nfs/dbraw/zinc/91/65/55/1385916555.db2.gz ARKWLUZGMHCYDQ-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001177335767 1385918067 /nfs/dbraw/zinc/91/80/67/1385918067.db2.gz KAIALLIMZMHGJC-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001177339269 1385918969 /nfs/dbraw/zinc/91/89/69/1385918969.db2.gz ASFFORWHQGGGCX-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001177348177 1385923227 /nfs/dbraw/zinc/92/32/27/1385923227.db2.gz BEQYRNMEZNVNJJ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001177357193 1385928366 /nfs/dbraw/zinc/92/83/66/1385928366.db2.gz ZLVBLDJWVWPCNY-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP C[NH+](C)CCC(=O)N(CCC[NH2+]CCC(C)(C)C)CC1CCCC1 ZINC001177406335 1385945600 /nfs/dbraw/zinc/94/56/00/1385945600.db2.gz VDVLLVHCKDVVDK-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177467211 1385967263 /nfs/dbraw/zinc/96/72/63/1385967263.db2.gz WHCRDHWKBCILLJ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccc1Cl ZINC001177562753 1385998123 /nfs/dbraw/zinc/99/81/23/1385998123.db2.gz WCKPHTAMTQQFIZ-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CC1CCCCC1 ZINC001319286416 1386043328 /nfs/dbraw/zinc/04/33/28/1386043328.db2.gz WAIGDDSJOFJLLM-KRWDZBQOSA-N 2 0 345.531 3.284 20 0 EGADRP COc1cccc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001319383971 1386094522 /nfs/dbraw/zinc/09/45/22/1386094522.db2.gz PTIAVLHSQGKADK-KRWDZBQOSA-N 2 0 339.483 3.298 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001178045514 1386114731 /nfs/dbraw/zinc/11/47/31/1386114731.db2.gz NDEBUZMECPDGGL-CXOXVUTBSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001178045947 1386115887 /nfs/dbraw/zinc/11/58/87/1386115887.db2.gz ZTTCTHSDIQRHJT-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483646 1386231176 /nfs/dbraw/zinc/23/11/76/1386231176.db2.gz HCXBKGAMQZNCBP-WOJBJXKFSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502795 1386237323 /nfs/dbraw/zinc/23/73/23/1386237323.db2.gz XTDSCWVVJICIAU-IBGZPJMESA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178523001 1386240832 /nfs/dbraw/zinc/24/08/32/1386240832.db2.gz RNFNLWZNMFJLOA-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001178527089 1386240988 /nfs/dbraw/zinc/24/09/88/1386240988.db2.gz JNAFDCZXMCXEER-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CCCC(C)C)CC[N@@H+]1C ZINC001178528003 1386242135 /nfs/dbraw/zinc/24/21/35/1386242135.db2.gz SLKHCQHCNUUNCY-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178612283 1386262725 /nfs/dbraw/zinc/26/27/25/1386262725.db2.gz QYAXZERXQXBORN-KRWDZBQOSA-N 2 0 349.510 3.072 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178612118 1386262749 /nfs/dbraw/zinc/26/27/49/1386262749.db2.gz BUQHUEIYSZGGRQ-ZEVQVBBLSA-N 2 0 343.531 3.289 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178634241 1386265011 /nfs/dbraw/zinc/26/50/11/1386265011.db2.gz PZGUQKSJCBQITD-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001178634295 1386265386 /nfs/dbraw/zinc/26/53/86/1386265386.db2.gz SSCMYRUMCUXDEL-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178692832 1386279580 /nfs/dbraw/zinc/27/95/80/1386279580.db2.gz CYONLWZNIWXTFS-ROUUACIJSA-N 2 0 343.531 3.264 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693602 1386280498 /nfs/dbraw/zinc/28/04/98/1386280498.db2.gz XITRGADLFJVZSN-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001178698790 1386282267 /nfs/dbraw/zinc/28/22/67/1386282267.db2.gz UUUSSARFKMWNBB-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001178705615 1386285341 /nfs/dbraw/zinc/28/53/41/1386285341.db2.gz VYIOPESDBNTAQH-GOSISDBHSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001178754704 1386294614 /nfs/dbraw/zinc/29/46/14/1386294614.db2.gz CUKGZHPHVRHSIF-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001178759545 1386296452 /nfs/dbraw/zinc/29/64/52/1386296452.db2.gz LATLKVHXQNNIBM-FQEVSTJZSA-N 2 0 347.547 3.347 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001178815958 1386315878 /nfs/dbraw/zinc/31/58/78/1386315878.db2.gz PUGIRQUVXAIGIB-HXUWFJFHSA-N 2 0 347.547 3.410 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001178902847 1386343057 /nfs/dbraw/zinc/34/30/57/1386343057.db2.gz JTTCRGCCSOBPGA-UHFFFAOYSA-N 2 0 325.541 3.314 20 0 EGADRP CC(C)(C)CC[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178939075 1386354778 /nfs/dbraw/zinc/35/47/78/1386354778.db2.gz YHTTXZPHWSUUTN-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC1(C)CC(C[NH2+]CCCCCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001178943395 1386356898 /nfs/dbraw/zinc/35/68/98/1386356898.db2.gz ZFPDIIHSRDMWCP-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c1 ZINC001319917131 1386388577 /nfs/dbraw/zinc/38/85/77/1386388577.db2.gz JVMCRAJYWGIALL-FXAWDEMLSA-N 2 0 345.531 3.271 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179145893 1386410062 /nfs/dbraw/zinc/41/00/62/1386410062.db2.gz DLPNTFDKJOEJQZ-GJYPPUQNSA-N 2 0 342.487 3.209 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001319999842 1386445550 /nfs/dbraw/zinc/44/55/50/1386445550.db2.gz MDEBMUGBTLFQDL-VQIMIIECSA-N 2 0 349.494 3.150 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001179357632 1386462027 /nfs/dbraw/zinc/46/20/27/1386462027.db2.gz HRVCAANXSZHZBW-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388778 1386472271 /nfs/dbraw/zinc/47/22/71/1386472271.db2.gz QVFKZZLIAARWBU-PCUMXMLJSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)c1occc1C[NH+](C)C ZINC001179395382 1386474335 /nfs/dbraw/zinc/47/43/35/1386474335.db2.gz MMQPYWBJQMKDLD-UHFFFAOYSA-N 2 0 335.492 3.187 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC/C=C/c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001179439364 1386483766 /nfs/dbraw/zinc/48/37/66/1386483766.db2.gz LRLFDYQUJXRQOR-QGKOQGRUSA-N 2 0 343.515 3.011 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1 ZINC001179461311 1386486998 /nfs/dbraw/zinc/48/69/98/1386486998.db2.gz GKEFQOWXPOIUKY-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP Cc1cccc(CCC[NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1 ZINC001179461114 1386487062 /nfs/dbraw/zinc/48/70/62/1386487062.db2.gz AODFWAYKTAYVMA-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001179464206 1386488620 /nfs/dbraw/zinc/48/86/20/1386488620.db2.gz OYLNFZOFZXBWHJ-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001320089439 1386503498 /nfs/dbraw/zinc/50/34/98/1386503498.db2.gz ASRRGINWPRIRIQ-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C)[NH+](CC)CC ZINC001179521686 1386504726 /nfs/dbraw/zinc/50/47/26/1386504726.db2.gz SJEJUUUPWSQMKD-ZYSHUDEJSA-N 2 0 349.494 3.025 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)[NH+](CC)CC ZINC001179564874 1386515936 /nfs/dbraw/zinc/51/59/36/1386515936.db2.gz IZTXJFAULQFAFS-PCUGXKRQSA-N 2 0 331.932 3.126 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179585411 1386523311 /nfs/dbraw/zinc/52/33/11/1386523311.db2.gz GZCSUOBBLRKKQB-ICSRJNTNSA-N 2 0 349.563 3.341 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179587144 1386524355 /nfs/dbraw/zinc/52/43/55/1386524355.db2.gz WKRNAXNFOQIBNS-GOSISDBHSA-N 2 0 345.531 3.103 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2CCCC2)C1 ZINC001179592727 1386526235 /nfs/dbraw/zinc/52/62/35/1386526235.db2.gz KPCPXJOYWKWFJX-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C)[NH+](C)C ZINC001179609080 1386530665 /nfs/dbraw/zinc/53/06/65/1386530665.db2.gz FTQNXBIYOPJWIV-ROUUACIJSA-N 2 0 327.557 3.275 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCCC)[C@@H]1C ZINC001179748548 1386570617 /nfs/dbraw/zinc/57/06/17/1386570617.db2.gz BOILOETVUYIPAY-ROUUACIJSA-N 2 0 325.541 3.268 20 0 EGADRP O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179792605 1386587816 /nfs/dbraw/zinc/58/78/16/1386587816.db2.gz TWFMBNUEXUMYTJ-LWBCESNNSA-N 2 0 341.927 3.022 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001179851066 1386607842 /nfs/dbraw/zinc/60/78/42/1386607842.db2.gz UYGGUFLXOLBUNL-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179892049 1386620161 /nfs/dbraw/zinc/62/01/61/1386620161.db2.gz PLLKNULEFFDQOG-PLNGDYQASA-N 2 0 337.552 3.341 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)cc1C ZINC001179968105 1386652295 /nfs/dbraw/zinc/65/22/95/1386652295.db2.gz MLDQSQZFQXSIQM-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)C1CC[NH+](CC2CC2)CC1 ZINC001180035549 1386675291 /nfs/dbraw/zinc/67/52/91/1386675291.db2.gz JBTDVLLAEHUJQG-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001180040112 1386677980 /nfs/dbraw/zinc/67/79/80/1386677980.db2.gz WGFVOWMBXZIEOW-NRFANRHFSA-N 2 0 347.547 3.386 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccco1 ZINC001320692254 1386693608 /nfs/dbraw/zinc/69/36/08/1386693608.db2.gz UAJODBDTNYULFF-KRWDZBQOSA-N 2 0 340.427 3.049 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C)C1 ZINC001180100479 1386697014 /nfs/dbraw/zinc/69/70/14/1386697014.db2.gz LLLAGDVPZVFWJO-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180117892 1386702412 /nfs/dbraw/zinc/70/24/12/1386702412.db2.gz KTOLOVUZKZHXBR-UHFFFAOYSA-N 2 0 333.520 3.185 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001180204447 1386731610 /nfs/dbraw/zinc/73/16/10/1386731610.db2.gz SDTFYPTZSJCPEP-RJARYPFESA-N 2 0 343.515 3.297 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001180204446 1386731682 /nfs/dbraw/zinc/73/16/82/1386731682.db2.gz SDTFYPTZSJCPEP-DGKOWBFYSA-N 2 0 343.515 3.297 20 0 EGADRP CCc1ccccc1C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274405 1386752105 /nfs/dbraw/zinc/75/21/05/1386752105.db2.gz BVSKEWXCRACXOG-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCCCC[NH2+]CCCCCF ZINC001180351392 1386771766 /nfs/dbraw/zinc/77/17/66/1386771766.db2.gz AXXXICBCUHJRAH-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180356476 1386773293 /nfs/dbraw/zinc/77/32/93/1386773293.db2.gz ASSQVJCIJXDFLZ-ARJAWSKDSA-N 2 0 337.552 3.485 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]Cc3cccc(C[NH+](C)C)c3)cc2)cn1 ZINC001321220524 1386845105 /nfs/dbraw/zinc/84/51/05/1386845105.db2.gz NLVHOWKJSCPUBA-UHFFFAOYSA-N 2 0 334.467 3.439 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001181869115 1387067303 /nfs/dbraw/zinc/06/73/03/1387067303.db2.gz RQYXYZKZXWGZKT-UHFFFAOYSA-N 2 0 349.563 3.255 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001182410255 1387162185 /nfs/dbraw/zinc/16/21/85/1387162185.db2.gz JNLRIBITDOUJTM-DBXWQHBBSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001182814507 1387229011 /nfs/dbraw/zinc/22/90/11/1387229011.db2.gz ZQTMUYZWVBNJFR-SLYNCCJLSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cc2ncn(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c2cc1C ZINC001336078842 1389008466 /nfs/dbraw/zinc/00/84/66/1389008466.db2.gz PLEVCWIOGLHJLZ-KSZLIROESA-N 2 0 326.488 3.273 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001698711110 1406352977 /nfs/dbraw/zinc/35/29/77/1406352977.db2.gz HYJDGLARQYTAFM-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP CN(C)c1c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc(F)c1F ZINC001336887616 1389196803 /nfs/dbraw/zinc/19/68/03/1389196803.db2.gz DHYJRULCQJIGMX-CWRNSKLLSA-N 2 0 337.458 3.193 20 0 EGADRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(-c2cc(F)ccc2F)n1 ZINC001331955655 1389925386 /nfs/dbraw/zinc/92/53/86/1389925386.db2.gz ZSHQDGPGFNUULM-UHFFFAOYSA-N 2 0 348.441 3.187 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001332299304 1390079079 /nfs/dbraw/zinc/07/90/79/1390079079.db2.gz KEXKCNFSLVNFAE-ZWKOTPCHSA-N 2 0 333.545 3.202 20 0 EGADRP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332396868 1390105043 /nfs/dbraw/zinc/10/50/43/1390105043.db2.gz RJVACJGQQIYUDK-KDOFPFPSSA-N 2 0 334.891 3.466 20 0 EGADRP CC(C)([NH3+])CC(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001333296382 1390278592 /nfs/dbraw/zinc/27/85/92/1390278592.db2.gz ANUWCUHKLBFICD-UHFFFAOYSA-N 2 0 343.393 3.367 20 0 EGADRP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]([NH3+])C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001340428778 1390287374 /nfs/dbraw/zinc/28/73/74/1390287374.db2.gz KIYROVDEEJCGSV-NZSAHSFTSA-N 2 0 345.531 3.167 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC001340804434 1390372089 /nfs/dbraw/zinc/37/20/89/1390372089.db2.gz OHAANAQUWZZIFJ-SJLPKXTDSA-N 2 0 329.488 3.245 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1cccc(F)c1 ZINC001335126015 1390645510 /nfs/dbraw/zinc/64/55/10/1390645510.db2.gz DHAGIHQFUFEFMK-HXUWFJFHSA-N 2 0 330.447 3.443 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCC(F)F)C[C@H]2C1 ZINC001343335352 1390708014 /nfs/dbraw/zinc/70/80/14/1390708014.db2.gz XCUXQZCMWHKZIE-DJIMGWMZSA-N 2 0 338.442 3.493 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001346017756 1390901229 /nfs/dbraw/zinc/90/12/29/1390901229.db2.gz PFHPCKOYFVWWJA-QGZVFWFLSA-N 2 0 329.488 3.096 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)c(F)c1 ZINC001346289369 1390919996 /nfs/dbraw/zinc/91/99/96/1390919996.db2.gz UAXBEYNXKCNKLH-KSSFIOAISA-N 2 0 340.870 3.224 20 0 EGADRP Cc1nc([C@@H](C)NCc2ccccc2N2CC[NH+](C)CC2)cs1 ZINC001347434915 1391074706 /nfs/dbraw/zinc/07/47/06/1391074706.db2.gz KZFVXIWLWQARRM-CQSZACIVSA-N 2 0 330.501 3.054 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC001348842432 1391273979 /nfs/dbraw/zinc/27/39/79/1391273979.db2.gz ZAPXSMVMDYLFBZ-NWDGAFQWSA-N 2 0 331.382 3.010 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349326079 1391321120 /nfs/dbraw/zinc/32/11/20/1391321120.db2.gz SQAKXMJZCZVIKS-UHFFFAOYSA-N 2 0 348.560 3.407 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](CC)c1ccccc1 ZINC001488686371 1391701771 /nfs/dbraw/zinc/70/17/71/1391701771.db2.gz QBYPRDHEHHEBOL-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC001353157169 1391947022 /nfs/dbraw/zinc/94/70/22/1391947022.db2.gz AFPHGQAYYVVGHP-OAQYLSRUSA-N 2 0 349.478 3.498 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1)[NH+](CC)CC ZINC001480156432 1392603254 /nfs/dbraw/zinc/60/32/54/1392603254.db2.gz BTSYBIIVQQLHEF-CGBFIWBNSA-N 2 0 345.531 3.413 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264250 1392649013 /nfs/dbraw/zinc/64/90/13/1392649013.db2.gz BWKKYQHDOMDRRF-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480734092 1392898907 /nfs/dbraw/zinc/89/89/07/1392898907.db2.gz YPLYFGAEIQBDNN-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480775279 1392926061 /nfs/dbraw/zinc/92/60/61/1392926061.db2.gz CNNYTIWBZYTADA-WMZOPIPTSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480975690 1393060565 /nfs/dbraw/zinc/06/05/65/1393060565.db2.gz DQOLOGAIOYIAHD-ATZDWAIDSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H](C)c1ccccc1 ZINC001481004452 1393082685 /nfs/dbraw/zinc/08/26/85/1393082685.db2.gz CCCSKVTYMRHEIZ-RBUKOAKNSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@@H+](C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001481019530 1393095346 /nfs/dbraw/zinc/09/53/46/1393095346.db2.gz WFELMLDXFGTCEZ-YPNIWSFNSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)(C(=O)NCC[N@H+](Cc1ccccc1)C1CC1)[NH+]1CCCCC1 ZINC001481170096 1393140769 /nfs/dbraw/zinc/14/07/69/1393140769.db2.gz DFXMQRSBNZBHPK-UHFFFAOYSA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001490421775 1394222937 /nfs/dbraw/zinc/22/29/37/1394222937.db2.gz NKWFVJKTXPGCNQ-BEFAXECRSA-N 2 0 349.494 3.150 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001490456579 1394234608 /nfs/dbraw/zinc/23/46/08/1394234608.db2.gz JHCYYFPAGZIVHL-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001490560870 1394260875 /nfs/dbraw/zinc/26/08/75/1394260875.db2.gz YZWFREYPHZSNCH-VQTJNVASSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001491211063 1394472777 /nfs/dbraw/zinc/47/27/77/1394472777.db2.gz XSFZSBBQMQUZRR-KRWDZBQOSA-N 2 0 334.508 3.139 20 0 EGADRP CCc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001491230865 1394486399 /nfs/dbraw/zinc/48/63/99/1394486399.db2.gz QMNQBSOFLHBRKO-WOJBJXKFSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481740967 1394487343 /nfs/dbraw/zinc/48/73/43/1394487343.db2.gz GXSYAKWNLOGIQX-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001481848220 1394557561 /nfs/dbraw/zinc/55/75/61/1394557561.db2.gz LWSRTGOXRLCAMK-VQIMIIECSA-N 2 0 345.487 3.003 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001482454011 1395012632 /nfs/dbraw/zinc/01/26/32/1395012632.db2.gz PZMXMHRITZFMRX-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001482457597 1395015971 /nfs/dbraw/zinc/01/59/71/1395015971.db2.gz UVBBQLFFFMWBMF-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001482483064 1395037160 /nfs/dbraw/zinc/03/71/60/1395037160.db2.gz OHNLWMIETAOSSK-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001483910935 1395140698 /nfs/dbraw/zinc/14/06/98/1395140698.db2.gz FVNBOUZUZLKQBF-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001491959891 1396301065 /nfs/dbraw/zinc/30/10/65/1396301065.db2.gz QLPQQDSUDSEQRU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](CC)c1ccccc1 ZINC001493280694 1396339146 /nfs/dbraw/zinc/33/91/46/1396339146.db2.gz OEDQLNRPTFDQDM-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1F ZINC001497296743 1396745434 /nfs/dbraw/zinc/74/54/34/1396745434.db2.gz HACSZWFKRWAYPI-DLBZAZTESA-N 2 0 349.494 3.103 20 0 EGADRP Cc1cccc(C[NH+]2CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1 ZINC001690023540 1404262385 /nfs/dbraw/zinc/26/23/85/1404262385.db2.gz WWDWECWERYZZCH-FQEVSTJZSA-N 2 0 345.531 3.004 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001690484201 1404601076 /nfs/dbraw/zinc/60/10/76/1404601076.db2.gz JJPZAPUZZCZNMO-IBGZPJMESA-N 2 0 349.494 3.028 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001690650007 1404681281 /nfs/dbraw/zinc/68/12/81/1404681281.db2.gz CIYCRWDXKWACNU-ROUUACIJSA-N 2 0 331.504 3.026 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)C2)ccc2c[nH+]cn21 ZINC001690774189 1404723034 /nfs/dbraw/zinc/72/30/34/1404723034.db2.gz DVRGJTNDMVABTO-KAKYJUDNSA-N 2 0 346.862 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001690784262 1404731664 /nfs/dbraw/zinc/73/16/64/1404731664.db2.gz IXUKBIRHUNAOAN-RBUKOAKNSA-N 2 0 349.494 3.015 20 0 EGADRP C[C@H](CCNC(=O)c1sccc1C[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001690844775 1404773357 /nfs/dbraw/zinc/77/33/57/1404773357.db2.gz NKEBGZBFQXTVBO-OAHLLOKOSA-N 2 0 345.512 3.108 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001690942004 1404848912 /nfs/dbraw/zinc/84/89/12/1404848912.db2.gz PTJWJDXRYQIMBB-OALUTQOASA-N 2 0 331.504 3.059 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001691056419 1404977564 /nfs/dbraw/zinc/97/75/64/1404977564.db2.gz YXERPQBGBIAGTH-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001691082132 1405016315 /nfs/dbraw/zinc/01/63/15/1405016315.db2.gz GDPVYXYZCROONL-IEBWSBKVSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691154053 1405087931 /nfs/dbraw/zinc/08/79/31/1405087931.db2.gz JEUCGCPVSNIAKR-VQIMIIECSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1F ZINC001691500510 1405305433 /nfs/dbraw/zinc/30/54/33/1405305433.db2.gz PQTVFPOSRHMMRY-VQIMIIECSA-N 2 0 349.494 3.198 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001691866930 1405586803 /nfs/dbraw/zinc/58/68/03/1405586803.db2.gz JZMJPDNTCCIWBC-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1nc[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C[C@H](C)CC(C)C ZINC001692098095 1405770599 /nfs/dbraw/zinc/77/05/99/1405770599.db2.gz XWSCWCLDIZODKZ-NUJGCVRESA-N 2 0 348.535 3.160 20 0 EGADRP CC(C)[C@H](C(=O)NCC1C[NH+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001692352052 1405969116 /nfs/dbraw/zinc/96/91/16/1405969116.db2.gz KVNUDASCOJDSPJ-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001731998166 1428207805 /nfs/dbraw/zinc/20/78/05/1428207805.db2.gz ANDHPZDZNZNHEW-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001698588722 1406208684 /nfs/dbraw/zinc/20/86/84/1406208684.db2.gz SOVDFRFTSPJLIE-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@H+](C)CCCC(C)(C)C)C2)CCC1 ZINC001732072731 1428322604 /nfs/dbraw/zinc/32/26/04/1428322604.db2.gz UMPPZPJVAKXDCR-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732091220 1428357173 /nfs/dbraw/zinc/35/71/73/1428357173.db2.gz GXAUFWBJNYIZTB-HBFSDRIKSA-N 2 0 345.531 3.223 20 0 EGADRP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001732186271 1428436233 /nfs/dbraw/zinc/43/62/33/1428436233.db2.gz RSBSJXIFJVBUCO-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001732358962 1428547336 /nfs/dbraw/zinc/54/73/36/1428547336.db2.gz ACYMFSUJVMZNDL-AZUAARDMSA-N 2 0 345.531 3.212 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CCC3CCCC3)CCCC2)CC1 ZINC001732397410 1428564431 /nfs/dbraw/zinc/56/44/31/1428564431.db2.gz UXEZNNQTAQDSOO-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001732450988 1428586698 /nfs/dbraw/zinc/58/66/98/1428586698.db2.gz ZSOZSGQTKOPAFI-GOSISDBHSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001732478944 1428604721 /nfs/dbraw/zinc/60/47/21/1428604721.db2.gz XGOZKSQCLOYVSC-HXUWFJFHSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001732525983 1428645262 /nfs/dbraw/zinc/64/52/62/1428645262.db2.gz ROZBUIIBHRKJQY-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1ccc2ccccc2c1)NC(=O)CCC[NH+](C)C ZINC001699460850 1412814058 /nfs/dbraw/zinc/81/40/58/1412814058.db2.gz FQBNUCXVDUBAAM-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001699579858 1412935841 /nfs/dbraw/zinc/93/58/41/1412935841.db2.gz TXDBQTRENGWQOQ-JXFKEZNVSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CCCC1)[NH+](C)C ZINC001699795116 1413203671 /nfs/dbraw/zinc/20/36/71/1413203671.db2.gz CLDIFGCSLGAVKV-WOJBJXKFSA-N 2 0 345.531 3.037 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001699804190 1413216290 /nfs/dbraw/zinc/21/62/90/1413216290.db2.gz QVPKDDOCSDARIS-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827178 1413254185 /nfs/dbraw/zinc/25/41/85/1413254185.db2.gz VNIUSTOCSHBBRS-RXVVDRJESA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001699849510 1413278882 /nfs/dbraw/zinc/27/88/82/1413278882.db2.gz USTXANWAWDWKAX-JXFKEZNVSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001700320784 1413786090 /nfs/dbraw/zinc/78/60/90/1413786090.db2.gz ROSYKNBPVWMQKG-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1Cc1cccc(F)c1 ZINC001700530877 1414197318 /nfs/dbraw/zinc/19/73/18/1414197318.db2.gz HLIPDKJQWOVPOQ-IBGZPJMESA-N 2 0 349.494 3.028 20 0 EGADRP C[N@H+](CCCC1CCCC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001700694594 1414349353 /nfs/dbraw/zinc/34/93/53/1414349353.db2.gz DOBAMLLNLNORKC-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001700858686 1414506060 /nfs/dbraw/zinc/50/60/60/1414506060.db2.gz MFBRZIAABVXDHY-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCC1 ZINC001700890980 1414550553 /nfs/dbraw/zinc/55/05/53/1414550553.db2.gz XZLGVLFJWASBHM-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)c(F)c1 ZINC001701064337 1414722191 /nfs/dbraw/zinc/72/21/91/1414722191.db2.gz GFWSNOKVJBVDBS-UHFFFAOYSA-N 2 0 349.494 3.064 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001732740401 1428939300 /nfs/dbraw/zinc/93/93/00/1428939300.db2.gz HIHLJFKHQSOMLH-ZWKOTPCHSA-N 2 0 345.531 3.352 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001733026826 1429145888 /nfs/dbraw/zinc/14/58/88/1429145888.db2.gz FDKUVHIAWYYMAM-ROUUACIJSA-N 2 0 331.504 3.026 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001707091636 1417197504 /nfs/dbraw/zinc/19/75/04/1417197504.db2.gz YTGRKVHHEVRERK-IYARVYRRSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001707439010 1417343184 /nfs/dbraw/zinc/34/31/84/1417343184.db2.gz BRMNZFIXKPUSSU-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001713057415 1417611149 /nfs/dbraw/zinc/61/11/49/1417611149.db2.gz LZVXQJZXTWUCLV-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001713112156 1417674945 /nfs/dbraw/zinc/67/49/45/1417674945.db2.gz GIMIGEBTVSTISZ-LJQANCHMSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)[NH+](CC)CC ZINC001713168771 1417742123 /nfs/dbraw/zinc/74/21/23/1417742123.db2.gz VHGZMQKNZMHWEH-AXUOBQJMSA-N 2 0 349.494 3.244 20 0 EGADRP Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001713277522 1417899525 /nfs/dbraw/zinc/89/95/25/1417899525.db2.gz JOFKEFAWZKIOGB-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001713293106 1417920879 /nfs/dbraw/zinc/92/08/79/1417920879.db2.gz UEDPISZRWBHDIZ-VZUCSPMQSA-N 2 0 341.927 3.022 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713396626 1418013158 /nfs/dbraw/zinc/01/31/58/1418013158.db2.gz FLZVUJJMNFOUQM-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001713477388 1418159968 /nfs/dbraw/zinc/15/99/68/1418159968.db2.gz NIUMQGPJVBMXKY-QGZVFWFLSA-N 2 0 349.494 3.201 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H](CC)c1ccc(F)cc1 ZINC001713517133 1418253194 /nfs/dbraw/zinc/25/31/94/1418253194.db2.gz CZSGCYNOZRRJNH-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713679989 1418431681 /nfs/dbraw/zinc/43/16/81/1418431681.db2.gz GCTLGXRKMJDOJS-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713682455 1418434764 /nfs/dbraw/zinc/43/47/64/1418434764.db2.gz BKNQXDIBMCLCIQ-ZWKOTPCHSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)c1 ZINC001713735928 1418529157 /nfs/dbraw/zinc/52/91/57/1418529157.db2.gz ZOQJGWTZABHUCU-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001713737841 1418535212 /nfs/dbraw/zinc/53/52/12/1418535212.db2.gz NSQXDSJYBWXCQA-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001713785247 1418601906 /nfs/dbraw/zinc/60/19/06/1418601906.db2.gz APYXURVIIAROTH-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001713884730 1418680737 /nfs/dbraw/zinc/68/07/37/1418680737.db2.gz CWBKSSJDZWHKNS-HXUWFJFHSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713926135 1418718422 /nfs/dbraw/zinc/71/84/22/1418718422.db2.gz YGUDRHSZQFCYFI-SFHVURJKSA-N 2 0 343.515 3.062 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001714021571 1418804941 /nfs/dbraw/zinc/80/49/41/1418804941.db2.gz OTHWZIVJHUCPTR-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001714080664 1418874554 /nfs/dbraw/zinc/87/45/54/1418874554.db2.gz NQSMJBSJQUHXER-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C[NH2+]C[C@@H](C)CC)CCCC2)C1 ZINC001714140714 1418943612 /nfs/dbraw/zinc/94/36/12/1418943612.db2.gz TWIXFBFRHJMDBD-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001714149805 1418955508 /nfs/dbraw/zinc/95/55/08/1418955508.db2.gz FUFDNFJMGCXZRQ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCCC2)c1 ZINC001714150744 1418957286 /nfs/dbraw/zinc/95/72/86/1418957286.db2.gz HGCCQAZLBKSDQH-PKOBYXMFSA-N 2 0 343.515 3.026 20 0 EGADRP CCc1ccc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001714542073 1419267331 /nfs/dbraw/zinc/26/73/31/1419267331.db2.gz GCBBBNYMEXZTTE-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001714728424 1419485722 /nfs/dbraw/zinc/48/57/22/1419485722.db2.gz UIHSNYVBFYNQMD-QFBILLFUSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccccc1Cl ZINC001714741938 1419489742 /nfs/dbraw/zinc/48/97/42/1419489742.db2.gz DQAYUXMHGZEWHM-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CCC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(C(C)C)cc1 ZINC001714833076 1419543555 /nfs/dbraw/zinc/54/35/55/1419543555.db2.gz PAHUYAMWOUPNAN-IBGZPJMESA-N 2 0 345.531 3.451 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C)(C)CC1 ZINC001714849486 1419561205 /nfs/dbraw/zinc/56/12/05/1419561205.db2.gz IWGQRHSECRQYLF-KDURUIRLSA-N 2 0 349.563 3.220 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001714863706 1419588745 /nfs/dbraw/zinc/58/87/45/1419588745.db2.gz VEYHRZRVRFLLPW-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001715044300 1419784414 /nfs/dbraw/zinc/78/44/14/1419784414.db2.gz OKNMPIHLSVIZGU-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCCCC1 ZINC001715081068 1419817311 /nfs/dbraw/zinc/81/73/11/1419817311.db2.gz DRUSYOMCDHCSEJ-HXUWFJFHSA-N 2 0 345.531 3.427 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCC2)c1 ZINC001715098449 1419838567 /nfs/dbraw/zinc/83/85/67/1419838567.db2.gz PBIXRGAMCGAHGK-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H]1CCCC[C@]1(C[NH2+]CC1CCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001715122684 1419867975 /nfs/dbraw/zinc/86/79/75/1419867975.db2.gz BJGLMLDFPONKMP-GHTZIAJQSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC2(CC[NH+](CC)C2)CC1)c1ccccc1 ZINC001715216952 1419949714 /nfs/dbraw/zinc/94/97/14/1419949714.db2.gz KBIIRZUWQWOCSV-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001715384419 1420081167 /nfs/dbraw/zinc/08/11/67/1420081167.db2.gz IJIWQSPANDUCLF-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001715388933 1420085708 /nfs/dbraw/zinc/08/57/08/1420085708.db2.gz IMGCNWXKXKJCTK-YLJYHZDGSA-N 2 0 345.531 3.210 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001715391104 1420088490 /nfs/dbraw/zinc/08/84/90/1420088490.db2.gz UGAUSUYRJRZKOS-WOJBJXKFSA-N 2 0 345.531 3.018 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001715394608 1420092098 /nfs/dbraw/zinc/09/20/98/1420092098.db2.gz ZMNGVNSGQJFNEK-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1CCCCC1 ZINC001715403605 1420102682 /nfs/dbraw/zinc/10/26/82/1420102682.db2.gz FOBCJMVOSXGNHB-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCC(C)(C)C)C2)CC1 ZINC001715542181 1420240205 /nfs/dbraw/zinc/24/02/05/1420240205.db2.gz DLCJVKDWXITNDB-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)Cc1[nH]cnc1C ZINC001715775859 1420339093 /nfs/dbraw/zinc/33/90/93/1420339093.db2.gz YUJZOBWTQXOKPO-CYBMUJFWSA-N 2 0 348.878 3.113 20 0 EGADRP CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001715929303 1420402293 /nfs/dbraw/zinc/40/22/93/1420402293.db2.gz GONMFPNDMFEXKK-QGZVFWFLSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCC[NH+](C)C)c1 ZINC001716068321 1420526028 /nfs/dbraw/zinc/52/60/28/1420526028.db2.gz YTMUKIKEVOOVSL-UXHICEINSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001716072156 1420527847 /nfs/dbraw/zinc/52/78/47/1420527847.db2.gz CLJHDMGZOFSGCO-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716395716 1420632140 /nfs/dbraw/zinc/63/21/40/1420632140.db2.gz XYGNJIGTMDHOGM-MSOLQXFVSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001716684803 1420838271 /nfs/dbraw/zinc/83/82/71/1420838271.db2.gz CVFKWMGNWBRGKF-HKUYNNGSSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001717010825 1421076614 /nfs/dbraw/zinc/07/66/14/1421076614.db2.gz QXOVTTHITDJTOY-OTWHNJEPSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001717153036 1421143503 /nfs/dbraw/zinc/14/35/03/1421143503.db2.gz MAVRXTYJMPQCCV-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001717281385 1421232651 /nfs/dbraw/zinc/23/26/51/1421232651.db2.gz KBAOVTLMHUPCHQ-IFXJQAMLSA-N 2 0 342.487 3.129 20 0 EGADRP CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001717356305 1421291177 /nfs/dbraw/zinc/29/11/77/1421291177.db2.gz SWGJVYWVFSDLFW-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](CC(C)C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001717357629 1421293351 /nfs/dbraw/zinc/29/33/51/1421293351.db2.gz YJFLSDNECDUNBE-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717459548 1421389069 /nfs/dbraw/zinc/38/90/69/1421389069.db2.gz GNAMGTPSORTBKA-MSOLQXFVSA-N 2 0 345.531 3.082 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001733351850 1429532896 /nfs/dbraw/zinc/53/28/96/1429532896.db2.gz IIWDVTZZTGEGJX-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001733377994 1429561753 /nfs/dbraw/zinc/56/17/53/1429561753.db2.gz AHPFYPUBKJFUNU-MRXNPFEDSA-N 2 0 337.533 3.096 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001733415921 1429620205 /nfs/dbraw/zinc/62/02/05/1429620205.db2.gz IIDIBBJRZMLXJM-LJQANCHMSA-N 2 0 349.544 3.013 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001733444050 1429653016 /nfs/dbraw/zinc/65/30/16/1429653016.db2.gz VZJJSLIXRAPFGH-GHTZIAJQSA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[N@H+](CC2CCC2)C2CCCCCC2)CC1 ZINC001723640783 1424507411 /nfs/dbraw/zinc/50/74/11/1424507411.db2.gz LJKSSXZISHKZAN-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC001723859017 1424587382 /nfs/dbraw/zinc/58/73/82/1424587382.db2.gz HTWURPJBWRCQSK-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1)[NH+](C)C ZINC001724301815 1424785583 /nfs/dbraw/zinc/78/55/83/1424785583.db2.gz FWGKBKHJXOKUGD-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CCc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC2)cc1 ZINC001724848236 1425204250 /nfs/dbraw/zinc/20/42/50/1425204250.db2.gz YHZVTVWJKMDTQE-PMACEKPBSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001724939691 1425323656 /nfs/dbraw/zinc/32/36/56/1425323656.db2.gz BVAUFZXXSMJCJD-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2F)[C@@H](C)C1 ZINC001725002643 1425411699 /nfs/dbraw/zinc/41/16/99/1425411699.db2.gz LMQGBFPWRUXSTK-FUHWJXTLSA-N 2 0 349.494 3.027 20 0 EGADRP CCCC[N@H+](CC)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001725027458 1425447491 /nfs/dbraw/zinc/44/74/91/1425447491.db2.gz RQTHCRVXPZJEEJ-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001725188937 1425728645 /nfs/dbraw/zinc/72/86/45/1425728645.db2.gz KXGVTWGVMPTGJD-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001725464037 1426131143 /nfs/dbraw/zinc/13/11/43/1426131143.db2.gz WVXAGOWXZPEWMK-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001725581756 1426237254 /nfs/dbraw/zinc/23/72/54/1426237254.db2.gz BWAWVOMGNBQACX-MOPGFXCFSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001725585269 1426240091 /nfs/dbraw/zinc/24/00/91/1426240091.db2.gz GZXXDKBHUFYYAV-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CC2CCC2)C(C)(C)C)c1 ZINC001725758752 1426437933 /nfs/dbraw/zinc/43/79/33/1426437933.db2.gz SSRHQDAQSDGRKV-IBGZPJMESA-N 2 0 345.531 3.282 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001731295878 1427238508 /nfs/dbraw/zinc/23/85/08/1427238508.db2.gz JHVPNALPISAORM-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001731553656 1427577243 /nfs/dbraw/zinc/57/72/43/1427577243.db2.gz IEJIKEOYWMKIOE-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](CCC1CC1)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001731709816 1427765702 /nfs/dbraw/zinc/76/57/02/1427765702.db2.gz FVAYWAKYGAFEHX-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H](C)c1ccc(F)cc1 ZINC001731816495 1428012929 /nfs/dbraw/zinc/01/29/29/1428012929.db2.gz MBWFAGKKVZUXQU-KRWDZBQOSA-N 2 0 349.494 3.201 20 0 EGADRP CC1CC[NH+](CC(=O)NCC[N@H+](CCCC(C)(C)C)C2CC2)CC1 ZINC001731883862 1428156895 /nfs/dbraw/zinc/15/68/95/1428156895.db2.gz LQVRFEDQSSDEOL-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733710926 1429926407 /nfs/dbraw/zinc/92/64/07/1429926407.db2.gz QPMLIPARMGPZFS-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C/CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001733836545 1430109940 /nfs/dbraw/zinc/10/99/40/1430109940.db2.gz YSGWQODGFKYBBS-DUIUGDAFSA-N 2 0 343.515 3.315 20 0 EGADRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC001734024677 1437812815 /nfs/dbraw/zinc/81/28/15/1437812815.db2.gz ZYQFFQBBVTUAPM-ABHNRTSZSA-N 2 0 339.568 3.227 20 0 EGADRP Cc1c(C(=O)N(C)CC[C@@H]([NH2+]C(C)C)C(C)C)ccc2c[nH+]cn21 ZINC001734081286 1437868528 /nfs/dbraw/zinc/86/85/28/1437868528.db2.gz ZJBFRIXBUAXPTK-GOSISDBHSA-N 2 0 330.476 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CCCC2CCCC2)CC1 ZINC001734272194 1438002591 /nfs/dbraw/zinc/00/25/91/1438002591.db2.gz MOVLWKYVGBRXID-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001734351876 1438069624 /nfs/dbraw/zinc/06/96/24/1438069624.db2.gz IBTHECMUAXQGMU-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001734421935 1438090032 /nfs/dbraw/zinc/09/00/32/1438090032.db2.gz HKGXYFUFSLPTST-MJGOQNOKSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001734421933 1438090038 /nfs/dbraw/zinc/09/00/38/1438090038.db2.gz HKGXYFUFSLPTST-HKUYNNGSSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CCCCCC2)C[C@@H]1C ZINC001734430544 1438094340 /nfs/dbraw/zinc/09/43/40/1438094340.db2.gz WKFJXACQGPTCDD-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CCC1CCCC1 ZINC001752073614 1440138046 /nfs/dbraw/zinc/13/80/46/1440138046.db2.gz REJHXVWZIWUCHK-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001752120826 1440142706 /nfs/dbraw/zinc/14/27/06/1440142706.db2.gz COIAPDYUEBXJHI-UHFFFAOYSA-N 2 0 347.547 3.262 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001752267199 1440162628 /nfs/dbraw/zinc/16/26/28/1440162628.db2.gz WJAFWUBPHVVCSC-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001752436865 1440180417 /nfs/dbraw/zinc/18/04/17/1440180417.db2.gz ZTVSBUAWOBZPLF-YSKLNCTFSA-N 2 0 347.547 3.045 20 0 EGADRP CCCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001752440029 1440181044 /nfs/dbraw/zinc/18/10/44/1440181044.db2.gz SNWTWGRYJBJFGF-HKUYNNGSSA-N 2 0 335.536 3.115 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001752698104 1440201364 /nfs/dbraw/zinc/20/13/64/1440201364.db2.gz CULLVEQKODEBTN-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752706775 1440202908 /nfs/dbraw/zinc/20/29/08/1440202908.db2.gz RFWQFRHEOVDGDD-UYAOXDASSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001752787224 1440211890 /nfs/dbraw/zinc/21/18/90/1440211890.db2.gz IZSVWJHDPKMJNJ-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001752800043 1440214853 /nfs/dbraw/zinc/21/48/53/1440214853.db2.gz SWZKFCXFSLLDAC-YZGWKJHDSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001752809553 1440216294 /nfs/dbraw/zinc/21/62/94/1440216294.db2.gz GPWDWOFATNJCMU-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001752825675 1440223569 /nfs/dbraw/zinc/22/35/69/1440223569.db2.gz YMILTRJFUPJRLS-IBGZPJMESA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001752841710 1440230940 /nfs/dbraw/zinc/23/09/40/1440230940.db2.gz SINIVFQZJYMTQC-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752842012 1440231074 /nfs/dbraw/zinc/23/10/74/1440231074.db2.gz UGXLLOCVWOMJGX-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001752873359 1440237567 /nfs/dbraw/zinc/23/75/67/1440237567.db2.gz RFIKAGRRFCMSPM-ROUUACIJSA-N 2 0 345.531 3.415 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001752883129 1440239399 /nfs/dbraw/zinc/23/93/99/1440239399.db2.gz HISKDRMUOOJNAG-ZUOKHONESA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001752894555 1440241441 /nfs/dbraw/zinc/24/14/41/1440241441.db2.gz JLGIWIWDZFQEIL-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001752976962 1440256298 /nfs/dbraw/zinc/25/62/98/1440256298.db2.gz AQUKLTRSKQGTIS-MOPGFXCFSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001752983875 1440257683 /nfs/dbraw/zinc/25/76/83/1440257683.db2.gz QFAXOESQVOODAP-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996464 1440262297 /nfs/dbraw/zinc/26/22/97/1440262297.db2.gz DFFBCKPGONAALU-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)C[NH+]2CCCC2)cs1 ZINC001753040243 1440276011 /nfs/dbraw/zinc/27/60/11/1440276011.db2.gz UIERRAUNXYBNOB-SFHVURJKSA-N 2 0 349.544 3.013 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001753112504 1440309400 /nfs/dbraw/zinc/30/94/00/1440309400.db2.gz FBWHQNZRASCFRD-FUHWJXTLSA-N 2 0 349.544 3.093 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001753114135 1440310287 /nfs/dbraw/zinc/31/02/87/1440310287.db2.gz CMQKWGQHCJHXCP-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001753117287 1440312067 /nfs/dbraw/zinc/31/20/67/1440312067.db2.gz ZUKCEPNRSCPNKS-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001753209105 1440338993 /nfs/dbraw/zinc/33/89/93/1440338993.db2.gz ZTSPAHMONSCRPB-APWZRJJASA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](C(=O)N(C)CC[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001753238184 1440341831 /nfs/dbraw/zinc/34/18/31/1440341831.db2.gz YUHGXVHSRUQAMR-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001753240474 1440342091 /nfs/dbraw/zinc/34/20/91/1440342091.db2.gz UITLQQSCIBITAS-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001753279884 1440347183 /nfs/dbraw/zinc/34/71/83/1440347183.db2.gz AIPIGIXDCDPBQT-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001753323876 1440365446 /nfs/dbraw/zinc/36/54/46/1440365446.db2.gz SETYXHGQRDZLRV-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(CC)cc2)C1 ZINC001753325454 1440366305 /nfs/dbraw/zinc/36/63/05/1440366305.db2.gz AKDHMYRGBPSPJS-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC/C=C\CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753328962 1440368377 /nfs/dbraw/zinc/36/83/77/1440368377.db2.gz QYSJXHXONWUIJC-KDHUBKHVSA-N 2 0 349.563 3.386 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001753351506 1440378145 /nfs/dbraw/zinc/37/81/45/1440378145.db2.gz FDSULUHPTKDTKK-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@H+](C)CCC3CC3)C2)CCCCC1 ZINC001753352108 1440378336 /nfs/dbraw/zinc/37/83/36/1440378336.db2.gz ITOMVVJNFPLQHP-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001753462721 1440411656 /nfs/dbraw/zinc/41/16/56/1440411656.db2.gz ZSZZLILNQJLAGX-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001753487278 1440418155 /nfs/dbraw/zinc/41/81/55/1440418155.db2.gz GNNKNBFUPUNSCW-PMACEKPBSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001753510464 1440425807 /nfs/dbraw/zinc/42/58/07/1440425807.db2.gz NYSWCOWSJSSSEC-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001753526653 1440429811 /nfs/dbraw/zinc/42/98/11/1440429811.db2.gz AERDXKUMXMTZFM-OAQYLSRUSA-N 2 0 343.515 3.203 20 0 EGADRP CCCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001753535063 1440432200 /nfs/dbraw/zinc/43/22/00/1440432200.db2.gz CFKZGGLFMWKKIW-ICSRJNTNSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH2+]CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001753575761 1440439303 /nfs/dbraw/zinc/43/93/03/1440439303.db2.gz MECMNXSTXZDIHH-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001753581984 1440440353 /nfs/dbraw/zinc/44/03/53/1440440353.db2.gz FLRZGDLVVZXZHW-CADBVGFASA-N 2 0 337.552 3.170 20 0 EGADRP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001753587383 1440441734 /nfs/dbraw/zinc/44/17/34/1440441734.db2.gz UIOMXSCXWZURDV-VAMGGRTRSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001753587944 1440441940 /nfs/dbraw/zinc/44/19/40/1440441940.db2.gz TURNPDUYRWCDFN-HNBVOPMISA-N 2 0 349.563 3.457 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC001753589133 1440442288 /nfs/dbraw/zinc/44/22/88/1440442288.db2.gz OMOFWCDGZSFQIM-LJQANCHMSA-N 2 0 345.531 3.313 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001753664854 1440459937 /nfs/dbraw/zinc/45/99/37/1440459937.db2.gz FRHVZHFEQCHIIZ-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1)[NH+]1CCCC1 ZINC001753666708 1440460497 /nfs/dbraw/zinc/46/04/97/1440460497.db2.gz KAJCYKUCQQYBPJ-UHFFFAOYSA-N 2 0 347.547 3.380 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCC2)c1 ZINC001753679803 1440464430 /nfs/dbraw/zinc/46/44/30/1440464430.db2.gz ZVPOCQOKCWXLDL-SFHVURJKSA-N 2 0 343.515 3.170 20 0 EGADRP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753694682 1440467293 /nfs/dbraw/zinc/46/72/93/1440467293.db2.gz DTLCDZDEWABOMK-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCC2)C1 ZINC001753709319 1440470107 /nfs/dbraw/zinc/47/01/07/1440470107.db2.gz WEAQHCQRPGGPAC-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001753730352 1440475576 /nfs/dbraw/zinc/47/55/76/1440475576.db2.gz ZXVUFOLAMQCNQQ-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]CCC2CC2)C2CCCCC2)CC1 ZINC001753748172 1440481763 /nfs/dbraw/zinc/48/17/63/1440481763.db2.gz IWLACLUOCSXHKV-FQEVSTJZSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001753800085 1440490745 /nfs/dbraw/zinc/49/07/45/1440490745.db2.gz VBXOBWWEMCEBMY-PKOBYXMFSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCC(C)(C)C)C2)CC1 ZINC001753876115 1440519224 /nfs/dbraw/zinc/51/92/24/1440519224.db2.gz RABLMMLEGNCXRX-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001754025665 1440533061 /nfs/dbraw/zinc/53/30/61/1440533061.db2.gz OGBXBFIBDCPTMI-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001754048926 1440535522 /nfs/dbraw/zinc/53/55/22/1440535522.db2.gz BELLYSRIGYTLEH-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754120363 1440542697 /nfs/dbraw/zinc/54/26/97/1440542697.db2.gz SCAWZIJEYMFHQK-LIHUFFQZSA-N 2 0 347.478 3.022 20 0 EGADRP C[C@@H]([NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001754155886 1440545565 /nfs/dbraw/zinc/54/55/65/1440545565.db2.gz CFFGBAOKFRMJIU-DWTRPJMMSA-N 2 0 347.478 3.023 20 0 EGADRP C[C@H](C(=O)NC/C=C\C[NH2+]CCC1CCCC1)[NH+]1CCCCCC1 ZINC001754177861 1440547909 /nfs/dbraw/zinc/54/79/09/1440547909.db2.gz DSLLURCWTFWOLC-HPFMTEOYSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001754191448 1440549122 /nfs/dbraw/zinc/54/91/22/1440549122.db2.gz MCLVUQZQXMRDCH-LKGOPFMKSA-N 2 0 343.515 3.130 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CCC2CCCCC2)C1 ZINC001754195702 1440549527 /nfs/dbraw/zinc/54/95/27/1440549527.db2.gz XBTPMVMUJCWBPB-RLWBPELLSA-N 2 0 349.563 3.339 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754279569 1440562854 /nfs/dbraw/zinc/56/28/54/1440562854.db2.gz ABDPMHIHQOXQSF-QFBILLFUSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001754285652 1440564238 /nfs/dbraw/zinc/56/42/38/1440564238.db2.gz GVAJRGRTPAMPTJ-AZUAARDMSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754314192 1440574538 /nfs/dbraw/zinc/57/45/38/1440574538.db2.gz MMISXTKZDHDIKV-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001754326450 1440581016 /nfs/dbraw/zinc/58/10/16/1440581016.db2.gz KGCOHUSYSQXQPT-UYAOXDASSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001754337160 1440587253 /nfs/dbraw/zinc/58/72/53/1440587253.db2.gz SDDMQNJCGCRAKZ-SFHVURJKSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1=CCCCC1 ZINC001754401036 1440595242 /nfs/dbraw/zinc/59/52/42/1440595242.db2.gz OHYVBBPLMJMHCP-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754402306 1440595399 /nfs/dbraw/zinc/59/53/99/1440595399.db2.gz CVOJFUMXYYHTBJ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCCC(C)(C)C ZINC001754417114 1440596903 /nfs/dbraw/zinc/59/69/03/1440596903.db2.gz XXRIFSOGPSWVPT-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCC1=CCCCC1 ZINC001754416942 1440596996 /nfs/dbraw/zinc/59/69/96/1440596996.db2.gz WKVRLDCUTOHPHN-ROUUACIJSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754496042 1440612271 /nfs/dbraw/zinc/61/22/71/1440612271.db2.gz SFFHXOZPEBEZIO-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC3=CCCCC3)CC2)CCCCC1 ZINC001754525910 1440620939 /nfs/dbraw/zinc/62/09/39/1440620939.db2.gz JRMAUKZWHBXLJT-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001754604239 1440642981 /nfs/dbraw/zinc/64/29/81/1440642981.db2.gz VBQWODOASLKUNN-IEBWSBKVSA-N 2 0 335.536 3.186 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001754619158 1440644989 /nfs/dbraw/zinc/64/49/89/1440644989.db2.gz VKHSJHWSTVMAEL-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001754629416 1440647311 /nfs/dbraw/zinc/64/73/11/1440647311.db2.gz BTRBOQOXORKCSG-INIZCTEOSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001754629417 1440647324 /nfs/dbraw/zinc/64/73/24/1440647324.db2.gz BTRBOQOXORKCSG-MRXNPFEDSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001754630067 1440647474 /nfs/dbraw/zinc/64/74/74/1440647474.db2.gz SNTCWAXSWAMYNG-HDICACEKSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCCC1)C1CCCC1 ZINC001754644530 1440649674 /nfs/dbraw/zinc/64/96/74/1440649674.db2.gz CHRSQHFPCYNSAJ-UXHICEINSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C2CCCC2)CC[N@@H+]1C ZINC001754651627 1440652063 /nfs/dbraw/zinc/65/20/63/1440652063.db2.gz XPRSHFCAFISRJW-AHRSYUTCSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001754653480 1440652804 /nfs/dbraw/zinc/65/28/04/1440652804.db2.gz ATDCBTOTYURSJM-HXUWFJFHSA-N 2 0 349.563 3.338 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001754659653 1440654461 /nfs/dbraw/zinc/65/44/61/1440654461.db2.gz ZDCKALOMANWCBH-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001754660598 1440654732 /nfs/dbraw/zinc/65/47/32/1440654732.db2.gz ZQNQTYWKVSLAHE-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001754700978 1440667960 /nfs/dbraw/zinc/66/79/60/1440667960.db2.gz PDWLGSKOFBRVFF-OAQYLSRUSA-N 2 0 345.531 3.033 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001754707075 1440669429 /nfs/dbraw/zinc/66/94/29/1440669429.db2.gz JPJKNSGVXJPAFO-QUCCMNQESA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001754718291 1440672261 /nfs/dbraw/zinc/67/22/61/1440672261.db2.gz WAPSUJPNHXHRLZ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001754718618 1440672419 /nfs/dbraw/zinc/67/24/19/1440672419.db2.gz HOTDWCCNRNYMQQ-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CCCC2CCCC2)C1 ZINC001754729279 1440678253 /nfs/dbraw/zinc/67/82/53/1440678253.db2.gz HACKDUPZEASMOI-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001754835462 1440696630 /nfs/dbraw/zinc/69/66/30/1440696630.db2.gz GYIIXFOYOLNUAP-FHWLQOOXSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754837702 1440697165 /nfs/dbraw/zinc/69/71/65/1440697165.db2.gz RPRRUNHMDBOXMS-FQEVSTJZSA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754866953 1440703270 /nfs/dbraw/zinc/70/32/70/1440703270.db2.gz GCCXKXHTRYMPRD-HAGHYFMRSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001754944085 1440712363 /nfs/dbraw/zinc/71/23/63/1440712363.db2.gz BZSFGLDWOZPZEY-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754945637 1440712671 /nfs/dbraw/zinc/71/26/71/1440712671.db2.gz DGBGBIZNAAYRFC-UHFFFAOYSA-N 2 0 345.531 3.408 20 0 EGADRP C[C@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001754950988 1440714976 /nfs/dbraw/zinc/71/49/76/1440714976.db2.gz FQCNFMFCXSPSPB-KRWDZBQOSA-N 2 0 345.531 3.485 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCC(C)(C)C)CC1 ZINC001754959100 1440717102 /nfs/dbraw/zinc/71/71/02/1440717102.db2.gz WVIUNKROAUFCKI-IYARVYRRSA-N 2 0 339.568 3.418 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755028192 1440729770 /nfs/dbraw/zinc/72/97/70/1440729770.db2.gz BWPNCEDGOZOLFZ-PXPVJAHISA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001755031659 1440731773 /nfs/dbraw/zinc/73/17/73/1440731773.db2.gz XGDYOIPJOFZNFF-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034645 1440733523 /nfs/dbraw/zinc/73/35/23/1440733523.db2.gz VQBAWOBIAVKNTR-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755043347 1440738858 /nfs/dbraw/zinc/73/88/58/1440738858.db2.gz SNIWQPJOKFDENV-UYAOXDASSA-N 2 0 345.531 3.260 20 0 EGADRP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755130589 1440757108 /nfs/dbraw/zinc/75/71/08/1440757108.db2.gz LDDFXWVXBOXKSD-GOSISDBHSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001755131675 1440757335 /nfs/dbraw/zinc/75/73/35/1440757335.db2.gz JYMZIDNCQAZOKW-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001755213630 1440783674 /nfs/dbraw/zinc/78/36/74/1440783674.db2.gz NWZFWXQONKUSLH-VIQWUECVSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001755253468 1440792546 /nfs/dbraw/zinc/79/25/46/1440792546.db2.gz LEFATHSQKISCET-CVEARBPZSA-N 2 0 325.541 3.170 20 0 EGADRP CC/C=C\CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001755281576 1440800731 /nfs/dbraw/zinc/80/07/31/1440800731.db2.gz OMDQQWYDTOXHML-MGBKSAOESA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001755322544 1440819447 /nfs/dbraw/zinc/81/94/47/1440819447.db2.gz KNZBBFWAURDGTP-YLJYHZDGSA-N 2 0 345.531 3.232 20 0 EGADRP CCCC[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001755359351 1440831058 /nfs/dbraw/zinc/83/10/58/1440831058.db2.gz AGWSRRUTLWRVPP-LJQANCHMSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCC[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001755520110 1440864901 /nfs/dbraw/zinc/86/49/01/1440864901.db2.gz OWJPKAVYHYTPQC-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001755530066 1440866975 /nfs/dbraw/zinc/86/69/75/1440866975.db2.gz RGWWKZGTJKOXPX-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001755589996 1440881327 /nfs/dbraw/zinc/88/13/27/1440881327.db2.gz FJZLXQLOBDHQKC-FUHWJXTLSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001755610892 1440887069 /nfs/dbraw/zinc/88/70/69/1440887069.db2.gz KMFBVXROXPJKKI-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001755658702 1440892378 /nfs/dbraw/zinc/89/23/78/1440892378.db2.gz OUKNAAKTSXRGLH-QZTJIDSGSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001755690870 1440896619 /nfs/dbraw/zinc/89/66/19/1440896619.db2.gz ZALJHDBCOBUOLM-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001755700097 1440899784 /nfs/dbraw/zinc/89/97/84/1440899784.db2.gz CIOIJLCEEYQTLW-AZUAARDMSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755712521 1440904005 /nfs/dbraw/zinc/90/40/05/1440904005.db2.gz MSVBOWSPKFDTKC-XUVXKRRUSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755712182 1440904032 /nfs/dbraw/zinc/90/40/32/1440904032.db2.gz KWWOQPZXTNTPRR-ZCNNSNEGSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](CC)c2ccccc2)C(C)(C)C1 ZINC001755765560 1440916096 /nfs/dbraw/zinc/91/60/96/1440916096.db2.gz RMAAPVKWALEJTI-RTBURBONSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001755766546 1440916339 /nfs/dbraw/zinc/91/63/39/1440916339.db2.gz MHNXGXHNGCJPKO-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@@H]2CCC[NH+]2C)C(C)C)c(C)c1 ZINC001755808698 1440918664 /nfs/dbraw/zinc/91/86/64/1440918664.db2.gz CEAUMPKZNCLARE-FQEVSTJZSA-N 2 0 345.531 3.066 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001755821836 1440925926 /nfs/dbraw/zinc/92/59/26/1440925926.db2.gz KGWIGFSQKANSNN-FYGUHAFLSA-N 2 0 337.552 3.194 20 0 EGADRP CCCCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001755834815 1440929813 /nfs/dbraw/zinc/92/98/13/1440929813.db2.gz MANLPJPLJBESJK-GOSISDBHSA-N 2 0 339.568 3.418 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001755839891 1440931269 /nfs/dbraw/zinc/93/12/69/1440931269.db2.gz NHBMCGFQWGVONE-ROUUACIJSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001755901578 1440944105 /nfs/dbraw/zinc/94/41/05/1440944105.db2.gz WTJPVCIMSRSYBK-SFHVURJKSA-N 2 0 349.494 3.062 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C)cc1 ZINC000159133531 529633492 /nfs/dbraw/zinc/63/34/92/529633492.db2.gz UUKHNYMROMCCCE-FQEVSTJZSA-N 2 0 338.499 3.383 20 0 EGADRP CN1c2ccc(C[NH2+]CCCCC[NH+]3CCCCC3)cc2CCC1=O ZINC000187237391 529832330 /nfs/dbraw/zinc/83/23/30/529832330.db2.gz BNRAGWNQZKEQKR-UHFFFAOYSA-N 2 0 343.515 3.341 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc(C(F)F)cc1)C1CC[NH+](C)CC1 ZINC000183983288 529904032 /nfs/dbraw/zinc/90/40/32/529904032.db2.gz BQYWPZXISGHRGQ-UHFFFAOYSA-N 2 0 325.447 3.082 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178254696 232118606 /nfs/dbraw/zinc/11/86/06/232118606.db2.gz WYPDTDDEQOFSOX-INIZCTEOSA-N 2 0 332.488 3.237 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000370638872 168522512 /nfs/dbraw/zinc/52/25/12/168522512.db2.gz ZYXLYULNWCFSDL-WBVHZDCISA-N 2 0 327.472 3.252 20 0 EGADRP [NH3+]CC1(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC000184223313 235338550 /nfs/dbraw/zinc/33/85/50/235338550.db2.gz WCXTWWYXJAIPTL-UHFFFAOYSA-N 2 0 343.515 3.198 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCS2 ZINC000187159277 236133625 /nfs/dbraw/zinc/13/36/25/236133625.db2.gz HVRWLROCAAVWNP-HNAYVOBHSA-N 2 0 347.572 3.313 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCS2 ZINC000187159230 236133784 /nfs/dbraw/zinc/13/37/84/236133784.db2.gz HVRWLROCAAVWNP-BEFAXECRSA-N 2 0 347.572 3.313 20 0 EGADRP Cc1nccnc1[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000187900972 236333062 /nfs/dbraw/zinc/33/30/62/236333062.db2.gz LIUSKMLSFWCOIU-HNNXBMFYSA-N 2 0 330.501 3.409 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)CC1 ZINC000132644470 223350084 /nfs/dbraw/zinc/35/00/84/223350084.db2.gz IFHYLMHXZARGTH-JOCHJYFZSA-N 2 0 336.479 3.420 20 0 EGADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000376320910 242064688 /nfs/dbraw/zinc/06/46/88/242064688.db2.gz XFSGQUITUPABOP-SIXLDLHFSA-N 2 0 344.421 3.188 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000021520947 212227449 /nfs/dbraw/zinc/22/74/49/212227449.db2.gz SFIQTZSVTINEKW-CYBMUJFWSA-N 2 0 330.303 3.282 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000133202727 223396804 /nfs/dbraw/zinc/39/68/04/223396804.db2.gz XNMFWZWGAISODY-UGKGYDQZSA-N 2 0 342.527 3.407 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(C[NH3+])cc1 ZINC000236865059 242388161 /nfs/dbraw/zinc/38/81/61/242388161.db2.gz JPBRVGWJWUNORH-UHFFFAOYSA-N 2 0 339.483 3.130 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000236877328 242392744 /nfs/dbraw/zinc/39/27/44/242392744.db2.gz MKNGJKAPSFMMOJ-OXQOHEQNSA-N 2 0 339.483 3.091 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000155021639 296146795 /nfs/dbraw/zinc/14/67/95/296146795.db2.gz UUCYUXKWKULVKX-QWHCGFSZSA-N 2 0 330.303 3.280 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)c1ccsc1 ZINC000262621243 245071652 /nfs/dbraw/zinc/07/16/52/245071652.db2.gz FBZZRNSFPQTREO-ZWKOTPCHSA-N 2 0 345.512 3.256 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)c1ccccc1 ZINC000370624101 296164053 /nfs/dbraw/zinc/16/40/53/296164053.db2.gz GYAKSDGCYOCLGU-MJGOQNOKSA-N 2 0 329.532 3.111 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000264153362 246116298 /nfs/dbraw/zinc/11/62/98/246116298.db2.gz ZXIOJXMRGQATIE-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)ccc1-n1cncn1 ZINC000093688359 218242237 /nfs/dbraw/zinc/24/22/37/218242237.db2.gz YFSYAVGXRLKJQE-UHFFFAOYSA-N 2 0 341.503 3.130 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353516561 296314380 /nfs/dbraw/zinc/31/43/80/296314380.db2.gz BIEUGLPFJADJJP-DYESRHJHSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237343333 296314395 /nfs/dbraw/zinc/31/43/95/296314395.db2.gz ZULXUFNJIDUKDJ-CRAIPNDOSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(N2CCOCC2)c1 ZINC000268705057 252156446 /nfs/dbraw/zinc/15/64/46/252156446.db2.gz BLXSBJTUYXIWLK-MOPGFXCFSA-N 2 0 345.531 3.438 20 0 EGADRP c1ccc(CC[NH+]2CCC(NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000268749212 252200439 /nfs/dbraw/zinc/20/04/39/252200439.db2.gz UIMQIILNBIHDND-UHFFFAOYSA-N 2 0 329.532 3.159 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000268794519 252245207 /nfs/dbraw/zinc/24/52/07/252245207.db2.gz FLFCDGRDASKEGC-PXNSSMCTSA-N 2 0 334.504 3.060 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000268797663 252249922 /nfs/dbraw/zinc/24/99/22/252249922.db2.gz GRZYNSDSIDQRKY-HOTGVXAUSA-N 2 0 344.503 3.351 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000268818088 252269204 /nfs/dbraw/zinc/26/92/04/252269204.db2.gz NBNGTRAQZPNUNX-FUHIMQAGSA-N 2 0 334.504 3.058 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000268812664 252263693 /nfs/dbraw/zinc/26/36/93/252263693.db2.gz BHQHJUBIHKIZDZ-CABCVRRESA-N 2 0 339.911 3.007 20 0 EGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268984921 255509039 /nfs/dbraw/zinc/50/90/39/255509039.db2.gz DUYIYAIWFDRVKD-DLBZAZTESA-N 2 0 334.504 3.012 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC1CCCC1 ZINC000358038323 285279712 /nfs/dbraw/zinc/27/97/12/285279712.db2.gz SFMJCMYPXYXRRM-HKUYNNGSSA-N 2 0 337.552 3.077 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000193277372 285291615 /nfs/dbraw/zinc/29/16/15/285291615.db2.gz CQQONOPKKLVPIX-UYAOXDASSA-N 2 0 340.467 3.404 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000155706926 224457638 /nfs/dbraw/zinc/45/76/38/224457638.db2.gz NNFFFSVALFWUML-QGZVFWFLSA-N 2 0 343.471 3.132 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCSC(C)(C)C2)CC1 ZINC000353908730 285339262 /nfs/dbraw/zinc/33/92/62/285339262.db2.gz DDUFQGXMHGQNIL-UHFFFAOYSA-N 2 0 333.545 3.156 20 0 EGADRP Cc1noc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000408521394 257979138 /nfs/dbraw/zinc/97/91/38/257979138.db2.gz SDJLVEFEZPXBSE-IBGZPJMESA-N 2 0 340.471 3.353 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000154405969 533416547 /nfs/dbraw/zinc/41/65/47/533416547.db2.gz QISHCKYRSSTPCW-RDTXWAMCSA-N 2 0 334.485 3.073 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC[N@@H+]1C ZINC000180902527 533649871 /nfs/dbraw/zinc/64/98/71/533649871.db2.gz DVJKZGSXPZJJBE-DOMZBBRYSA-N 2 0 334.851 3.005 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c(C[NH+](C)C)c1 ZINC000237468794 141003524 /nfs/dbraw/zinc/00/35/24/141003524.db2.gz JAJKMQXNAFESMR-HNAYVOBHSA-N 2 0 325.456 3.331 20 0 EGADRP FC(F)(F)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246594393 141018830 /nfs/dbraw/zinc/01/88/30/141018830.db2.gz ZQZINUYHKGCGTQ-KGLIPLIRSA-N 2 0 328.378 3.301 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000338046761 141080903 /nfs/dbraw/zinc/08/09/03/141080903.db2.gz LDSONILYHZFZMH-JNIAIEOXSA-N 2 0 343.515 3.199 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cc3cscc3Br)CC[C@@H]21 ZINC000347912155 141215543 /nfs/dbraw/zinc/21/55/43/141215543.db2.gz MDQZQYFLUJJLJF-FZMZJTMJSA-N 2 0 329.307 3.427 20 0 EGADRP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347935595 141220249 /nfs/dbraw/zinc/22/02/49/141220249.db2.gz PXQVSKZWGQLODS-FUHWJXTLSA-N 2 0 344.499 3.243 20 0 EGADRP Cc1nc2ccccn2c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934420 141220437 /nfs/dbraw/zinc/22/04/37/141220437.db2.gz OEPKXXZKDSFHND-DOTOQJQBSA-N 2 0 326.488 3.385 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000350559715 141253718 /nfs/dbraw/zinc/25/37/18/141253718.db2.gz SECCEOGXGGABBF-SFTDATJTSA-N 2 0 341.543 3.140 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000353457449 141300574 /nfs/dbraw/zinc/30/05/74/141300574.db2.gz ZFAQUGUJUZZVGT-NRFANRHFSA-N 2 0 339.483 3.450 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353459204 141301621 /nfs/dbraw/zinc/30/16/21/141301621.db2.gz LHTXQAOCXRPDAL-LEAZDLGRSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353465397 141302933 /nfs/dbraw/zinc/30/29/33/141302933.db2.gz UDBZPLVVTFCLAS-FGTMMUONSA-N 2 0 341.503 3.286 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H]4C4CC4)[C@@H]3C2)cc1 ZINC000356825753 141349599 /nfs/dbraw/zinc/34/95/99/141349599.db2.gz AQFIAZWMMYSGGM-QGLKVJOYSA-N 2 0 326.484 3.054 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1Cl ZINC000363786255 144366488 /nfs/dbraw/zinc/36/64/88/144366488.db2.gz QUTUYZVBQKLIGL-ZFWWWQNUSA-N 2 0 339.886 3.298 20 0 EGADRP CC(C)=CCC[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000341472157 155310481 /nfs/dbraw/zinc/31/04/81/155310481.db2.gz AEXIXSDLSRWEIQ-LJQANCHMSA-N 2 0 330.520 3.318 20 0 EGADRP CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000116396343 152057308 /nfs/dbraw/zinc/05/73/08/152057308.db2.gz YLGJDPRJEDMMOZ-ZWKOTPCHSA-N 2 0 333.520 3.037 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000131810516 292259599 /nfs/dbraw/zinc/25/95/99/292259599.db2.gz BTXTZOZNSVDTCK-JOCHJYFZSA-N 2 0 337.511 3.312 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CCC[NH+]1C ZINC000120324869 152266886 /nfs/dbraw/zinc/26/68/86/152266886.db2.gz QQCOGBIABHJLLE-LJQANCHMSA-N 2 0 326.488 3.425 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1OC ZINC000121360102 152345921 /nfs/dbraw/zinc/34/59/21/152345921.db2.gz RJANQEFAGQNESZ-IEBWSBKVSA-N 2 0 333.520 3.010 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000191957797 153235587 /nfs/dbraw/zinc/23/55/87/153235587.db2.gz VKGDVXGSCLWYAK-UHFFFAOYSA-N 2 0 326.488 3.344 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236630426 153456027 /nfs/dbraw/zinc/45/60/27/153456027.db2.gz YWCBFAXPTUIHKK-XLIONFOSSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]([NH2+]Cc1cnn2ccccc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311045033 154144371 /nfs/dbraw/zinc/14/43/71/154144371.db2.gz FREQQVUJYCCYEJ-PKOBYXMFSA-N 2 0 334.467 3.335 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000336886706 154231641 /nfs/dbraw/zinc/23/16/41/154231641.db2.gz HAIRMRYABRLPQO-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000346868028 156169776 /nfs/dbraw/zinc/16/97/76/156169776.db2.gz JBMKVQKXJXSFCU-INIZCTEOSA-N 2 0 333.520 3.311 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000346959045 156216981 /nfs/dbraw/zinc/21/69/81/156216981.db2.gz CUHYBKAJNIQKJM-MSOLQXFVSA-N 2 0 345.531 3.276 20 0 EGADRP COc1ccc(CC[N@H+](CC(C)C)C[C@H]2CCC[NH2+]C2)cc1OC ZINC000346974177 156223839 /nfs/dbraw/zinc/22/38/39/156223839.db2.gz IOQHOLONVMKFOL-SFHVURJKSA-N 2 0 334.504 3.204 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000349147934 156366299 /nfs/dbraw/zinc/36/62/99/156366299.db2.gz ZYOHPBKCFCWCQO-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093735074 162026238 /nfs/dbraw/zinc/02/62/38/162026238.db2.gz FMNITUYEQLVSRF-LPHOPBHVSA-N 2 0 332.488 3.480 20 0 EGADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070191 162039578 /nfs/dbraw/zinc/03/95/78/162039578.db2.gz QWTYOYKANDMCAP-CYBMUJFWSA-N 2 0 341.293 3.340 20 0 EGADRP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070189 162040021 /nfs/dbraw/zinc/04/00/21/162040021.db2.gz QWTYOYKANDMCAP-ZDUSSCGKSA-N 2 0 341.293 3.340 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2)cs1 ZINC000105459144 162056048 /nfs/dbraw/zinc/05/60/48/162056048.db2.gz SMMYUGISYCPXJN-UHFFFAOYSA-N 2 0 345.512 3.462 20 0 EGADRP C[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)[N@H+](C)Cc1ccccc1 ZINC000110355180 162124811 /nfs/dbraw/zinc/12/48/11/162124811.db2.gz XDKALPDVTJLBTL-QGZVFWFLSA-N 2 0 348.450 3.123 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125331601 162269649 /nfs/dbraw/zinc/26/96/49/162269649.db2.gz JASYFEVXLWVGBS-PXNSSMCTSA-N 2 0 331.504 3.231 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411408 163001841 /nfs/dbraw/zinc/00/18/41/163001841.db2.gz ZBOSYAZLIOXJAW-YPAWHYETSA-N 3 0 341.543 3.219 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000354297683 165999547 /nfs/dbraw/zinc/99/95/47/165999547.db2.gz VGSNRTDOYUVQSD-BHIYHBOVSA-N 2 0 330.520 3.138 20 0 EGADRP CCC[C@@H](C)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000337244029 163176899 /nfs/dbraw/zinc/17/68/99/163176899.db2.gz HQDWMTVEALAYGK-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP Clc1ccsc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000338547423 163268821 /nfs/dbraw/zinc/26/88/21/163268821.db2.gz NXANJGKMDVEZRY-UHFFFAOYSA-N 2 0 328.909 3.336 20 0 EGADRP C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(Cl)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343753382 164027323 /nfs/dbraw/zinc/02/73/23/164027323.db2.gz SWTGRELVOFNHOY-QRWLVFNGSA-N 2 0 347.934 3.428 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)cc1 ZINC000343808518 164039920 /nfs/dbraw/zinc/03/99/20/164039920.db2.gz BMTRLTUILOQVLA-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccnc1 ZINC000343922502 164067065 /nfs/dbraw/zinc/06/70/65/164067065.db2.gz FOCFZXZMAOFHBU-SFHVURJKSA-N 2 0 328.460 3.048 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000344311014 164152720 /nfs/dbraw/zinc/15/27/20/164152720.db2.gz WIRFBPSKEUTNHN-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+](CC)CC ZINC000345786868 164265063 /nfs/dbraw/zinc/26/50/63/164265063.db2.gz AMQNVXACGPETOR-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000345806433 164268802 /nfs/dbraw/zinc/26/88/02/164268802.db2.gz YITXHSUJXZFRDF-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000345965834 164304989 /nfs/dbraw/zinc/30/49/89/164304989.db2.gz RLEJTEVKROLMNW-DLBZAZTESA-N 2 0 343.515 3.226 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000350283899 165025760 /nfs/dbraw/zinc/02/57/60/165025760.db2.gz ARHAMCNXHMBXAC-MRXNPFEDSA-N 2 0 340.508 3.351 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000354989410 166080865 /nfs/dbraw/zinc/08/08/65/166080865.db2.gz YVHQOECPKRLLTK-FHWLQOOXSA-N 2 0 326.525 3.062 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000350953828 165085888 /nfs/dbraw/zinc/08/58/88/165085888.db2.gz XAMJBLPNTNFCMO-CVEARBPZSA-N 2 0 331.460 3.322 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000353392615 165752252 /nfs/dbraw/zinc/75/22/52/165752252.db2.gz GQOWVVPBJNGHQE-AFMYVXGZSA-N 2 0 332.488 3.207 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000353502957 165784421 /nfs/dbraw/zinc/78/44/21/165784421.db2.gz NKCMBRQZQQZITB-FAEJEUNOSA-N 2 0 329.488 3.337 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC000355660611 166277067 /nfs/dbraw/zinc/27/70/67/166277067.db2.gz WBWGFNYRWRONDW-LJQANCHMSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1[nH+]ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1Cl ZINC000355669945 166279522 /nfs/dbraw/zinc/27/95/22/166279522.db2.gz ILDNUWQMRCLCJN-UHFFFAOYSA-N 2 0 337.895 3.372 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000355770665 166302735 /nfs/dbraw/zinc/30/27/35/166302735.db2.gz UOXIPORYUOJCFT-UHFFFAOYSA-N 2 0 332.879 3.347 20 0 EGADRP CC[C@H]1C[C@H](C[NH+]2CCC(OCC[NH+](CC)CC)CC2)CCO1 ZINC000357001004 166559784 /nfs/dbraw/zinc/55/97/84/166559784.db2.gz XKLOOGBMZUPBDZ-MSOLQXFVSA-N 2 0 326.525 3.014 20 0 EGADRP CCC[N@H+](C)[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000358937415 167012079 /nfs/dbraw/zinc/01/20/79/167012079.db2.gz VXZQFILEFVMDTC-IAGOWNOFSA-N 2 0 339.911 3.179 20 0 EGADRP COc1ccccc1[C@H](CNc1cc[nH+]cc1C)[NH+]1CCCCC1 ZINC000358939639 167012948 /nfs/dbraw/zinc/01/29/48/167012948.db2.gz UVFNETZDSMNKAP-IBGZPJMESA-N 2 0 325.456 3.460 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@]1(F)CC[NH2+]C1)C1CCCCC1 ZINC000366322537 168106103 /nfs/dbraw/zinc/10/61/03/168106103.db2.gz JCNHTDNYKJBICP-IBGZPJMESA-N 2 0 333.451 3.091 20 0 EGADRP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cccc(N2CCOC2=O)c1 ZINC000367439242 168226274 /nfs/dbraw/zinc/22/62/74/168226274.db2.gz SLQIQTOQDQBJGX-CQSZACIVSA-N 2 0 340.427 3.027 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000367603465 168247983 /nfs/dbraw/zinc/24/79/83/168247983.db2.gz ZTGDIYQNGWCFSL-YLJYHZDGSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1C ZINC000158470228 225022245 /nfs/dbraw/zinc/02/22/45/225022245.db2.gz PXWNMLVQRNCRRG-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP Cc1ccsc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158475946 225022736 /nfs/dbraw/zinc/02/27/36/225022736.db2.gz VQCKMXXLBVOVBS-HNNXBMFYSA-N 2 0 330.501 3.054 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1C ZINC000159137738 225154471 /nfs/dbraw/zinc/15/44/71/225154471.db2.gz KKMIRPSZDCSUFU-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000166431909 226158595 /nfs/dbraw/zinc/15/85/95/226158595.db2.gz WNGSWBNGALJLCW-LBPRGKRZSA-N 2 0 336.277 3.427 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)CC3 ZINC000123086971 222212967 /nfs/dbraw/zinc/21/29/67/222212967.db2.gz PLWQAASBOGRAQS-LSDHHAIUSA-N 2 0 339.483 3.108 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000174737899 265069613 /nfs/dbraw/zinc/06/96/13/265069613.db2.gz YHLWPPGXJSYEFP-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000235483954 266207847 /nfs/dbraw/zinc/20/78/47/266207847.db2.gz ASRZIMPALCNTHU-CQSZACIVSA-N 2 0 325.294 3.456 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000236907709 266218540 /nfs/dbraw/zinc/21/85/40/266218540.db2.gz RFPBHWZSRFWQAD-UXHICEINSA-N 2 0 345.531 3.442 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3ccccc3F)CC2)CC1 ZINC000270947043 266579616 /nfs/dbraw/zinc/57/96/16/266579616.db2.gz SGEJXKMHKQFDTG-KRWDZBQOSA-N 2 0 333.495 3.377 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)CCn1cccn1 ZINC000272380676 266830912 /nfs/dbraw/zinc/83/09/12/266830912.db2.gz UFYMHWBEWPKULG-GOSISDBHSA-N 2 0 344.503 3.172 20 0 EGADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC(F)F ZINC000272492359 266854751 /nfs/dbraw/zinc/85/47/51/266854751.db2.gz FPXHHFUBSYFORA-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000273286281 267013688 /nfs/dbraw/zinc/01/36/88/267013688.db2.gz XHKCWFYDXZNQIF-OAHLLOKOSA-N 2 0 335.492 3.041 20 0 EGADRP CCN1CC[NH+]([C@H]2CCN(c3c(C)c(C)[nH+]c4ccccc43)C2)CC1 ZINC000273372202 267028832 /nfs/dbraw/zinc/02/88/32/267028832.db2.gz RTOYRIFUZCYWIR-SFHVURJKSA-N 2 0 338.499 3.068 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273446132 267039982 /nfs/dbraw/zinc/03/99/82/267039982.db2.gz ZZNGLKADAHFEMB-IBGZPJMESA-N 2 0 335.923 3.335 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000274577228 267257028 /nfs/dbraw/zinc/25/70/28/267257028.db2.gz JYZDRMPICVKPCO-MRXNPFEDSA-N 2 0 345.462 3.201 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000274650152 267267458 /nfs/dbraw/zinc/26/74/58/267267458.db2.gz SRECGHXLIBXSEY-LAUBAEHRSA-N 2 0 345.506 3.377 20 0 EGADRP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924638 267307241 /nfs/dbraw/zinc/30/72/41/267307241.db2.gz PPWITBKFPGHSBP-PKOBYXMFSA-N 2 0 327.516 3.113 20 0 EGADRP CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000275557931 267380756 /nfs/dbraw/zinc/38/07/56/267380756.db2.gz DPPBKUWEUZSIRV-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000278411420 268007269 /nfs/dbraw/zinc/00/72/69/268007269.db2.gz HREJWPIOKOGZPG-UIAACRFSSA-N 2 0 334.479 3.492 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000278412998 268007491 /nfs/dbraw/zinc/00/74/91/268007491.db2.gz HVMOLGAVBWAWOG-KRWDZBQOSA-N 2 0 338.499 3.456 20 0 EGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278470199 268019851 /nfs/dbraw/zinc/01/98/51/268019851.db2.gz NRUFFTPIWBNPHQ-MRXNPFEDSA-N 2 0 329.488 3.176 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCC2 ZINC000278562279 268040127 /nfs/dbraw/zinc/04/01/27/268040127.db2.gz PDIIBUDVZBFAOA-UZLBHIALSA-N 2 0 332.488 3.163 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000305763058 275053247 /nfs/dbraw/zinc/05/32/47/275053247.db2.gz AAXATMBCSKOSLJ-KZNAEPCWSA-N 2 0 334.529 3.483 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278734748 275270018 /nfs/dbraw/zinc/27/00/18/275270018.db2.gz WLCKQUSAWBCTNF-PKOBYXMFSA-N 2 0 332.488 3.299 20 0 EGADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278737385 275270372 /nfs/dbraw/zinc/27/03/72/275270372.db2.gz WNXBZYCFSHTVOZ-QFBILLFUSA-N 2 0 332.488 3.163 20 0 EGADRP COCCSCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000278924578 275288034 /nfs/dbraw/zinc/28/80/34/275288034.db2.gz VJIWLSRUMRZXLK-PKOBYXMFSA-N 2 0 336.545 3.256 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000279648861 275346624 /nfs/dbraw/zinc/34/66/24/275346624.db2.gz BQIIFEKJVVEPSQ-CZGNIMDHSA-N 2 0 346.515 3.120 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280930530 275507605 /nfs/dbraw/zinc/50/76/05/275507605.db2.gz VADKXWFNMIXTMS-XLIONFOSSA-N 2 0 327.472 3.001 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281396877 275546191 /nfs/dbraw/zinc/54/61/91/275546191.db2.gz YKKYLKSRCVHDLT-FQEVSTJZSA-N 2 0 343.446 3.402 20 0 EGADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000282793825 275671622 /nfs/dbraw/zinc/67/16/22/275671622.db2.gz YRVCIECOAMOHNK-MDASCCDHSA-N 2 0 336.907 3.238 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccn1 ZINC000284338902 275793178 /nfs/dbraw/zinc/79/31/78/275793178.db2.gz LIGMIBDABGQUCC-MRXNPFEDSA-N 2 0 325.456 3.405 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000287100368 276083593 /nfs/dbraw/zinc/08/35/93/276083593.db2.gz QALQSXUIMSPWRL-RBUKOAKNSA-N 2 0 344.503 3.006 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CCO1 ZINC000287691656 276148005 /nfs/dbraw/zinc/14/80/05/276148005.db2.gz NDWIGXBNWIDSNH-IRXDYDNUSA-N 2 0 342.405 3.134 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC000261864350 276199554 /nfs/dbraw/zinc/19/95/54/276199554.db2.gz XFPRPNYBINKFLX-XUVXKRRUSA-N 2 0 343.515 3.093 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000248653645 276199641 /nfs/dbraw/zinc/19/96/41/276199641.db2.gz UYGQQGAKFQOFBX-YZGWKJHDSA-N 2 0 329.532 3.184 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)cc1 ZINC000289221512 276306368 /nfs/dbraw/zinc/30/63/68/276306368.db2.gz JJVXQMRLOCFLQE-CQSZACIVSA-N 2 0 333.501 3.328 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc([C@H](C)O)s2)c1 ZINC000289355068 276326703 /nfs/dbraw/zinc/32/67/03/276326703.db2.gz XZADMPOTWSTFRW-AWEZNQCLSA-N 2 0 333.501 3.326 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1O ZINC000289607889 276365849 /nfs/dbraw/zinc/36/58/49/276365849.db2.gz GFEDGVXNUPRROL-HNNXBMFYSA-N 2 0 344.455 3.192 20 0 EGADRP COc1cncc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000289729041 276384887 /nfs/dbraw/zinc/38/48/87/276384887.db2.gz GOMCPIBWEDDNES-UHFFFAOYSA-N 2 0 340.471 3.224 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H](O)c1ccccc1 ZINC000290387917 276488116 /nfs/dbraw/zinc/48/81/16/276488116.db2.gz SCGYETIBRZKPON-CSODHUTKSA-N 2 0 342.483 3.400 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292025037 276722563 /nfs/dbraw/zinc/72/25/63/276722563.db2.gz FXGDBIIAMYAZBN-QGZVFWFLSA-N 2 0 347.528 3.015 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC000366864851 277036639 /nfs/dbraw/zinc/03/66/39/277036639.db2.gz MBQQKMUFZABCNP-UHFFFAOYSA-N 2 0 334.435 3.000 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C(C)(C)OC)CC2)cc1 ZINC000340212302 277410432 /nfs/dbraw/zinc/41/04/32/277410432.db2.gz MYAMXHZTSGIDFK-INIZCTEOSA-N 2 0 334.504 3.310 20 0 EGADRP C[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000345808754 278206770 /nfs/dbraw/zinc/20/67/70/278206770.db2.gz CCQSCYVGVTVQOF-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCC(C)(C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000360838419 278286295 /nfs/dbraw/zinc/28/62/95/278286295.db2.gz UHXQECCWHAMICF-PXNSSMCTSA-N 2 0 329.532 3.272 20 0 EGADRP CC1(C)CN(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205862 278327924 /nfs/dbraw/zinc/32/79/24/278327924.db2.gz XVIIVUKBDJTASW-RBUKOAKNSA-N 2 0 349.563 3.017 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000063757859 279090436 /nfs/dbraw/zinc/09/04/36/279090436.db2.gz WCNLMKNUHQDCSX-QGZVFWFLSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152053010 288104249 /nfs/dbraw/zinc/10/42/49/288104249.db2.gz GVKXUCWJTGWFAQ-MDZRGWNJSA-N 2 0 334.479 3.192 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)cc1)C1CC1 ZINC000362603017 279235815 /nfs/dbraw/zinc/23/58/15/279235815.db2.gz RUHKXNOYEFEVEU-UZLBHIALSA-N 2 0 343.515 3.129 20 0 EGADRP C[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C[NH+]1CCCC1 ZINC000165328239 279346474 /nfs/dbraw/zinc/34/64/74/279346474.db2.gz PBWZTLDFYBMRQG-ZGGTZUKQSA-N 2 0 341.499 3.141 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182064950 280326331 /nfs/dbraw/zinc/32/63/31/280326331.db2.gz WOMQWHTZVFBUTB-KDOFPFPSSA-N 2 0 341.902 3.402 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000172648829 289226144 /nfs/dbraw/zinc/22/61/44/289226144.db2.gz QXXUHQDVQKPJJX-LJQANCHMSA-N 2 0 344.503 3.230 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[NH+](C)CC1 ZINC000353633106 295582917 /nfs/dbraw/zinc/58/29/17/295582917.db2.gz WCORXRONFZBWBV-MRXNPFEDSA-N 2 0 338.492 3.456 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000073554485 307386727 /nfs/dbraw/zinc/38/67/27/307386727.db2.gz MWINWDGEODSHLV-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089694486 307451358 /nfs/dbraw/zinc/45/13/58/307451358.db2.gz IYMWZFQYQFDFDJ-QGZVFWFLSA-N 2 0 342.314 3.208 20 0 EGADRP CNC(=O)c1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121837061 307523619 /nfs/dbraw/zinc/52/36/19/307523619.db2.gz DCVKIHLFHJIHIM-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123167233 307536848 /nfs/dbraw/zinc/53/68/48/307536848.db2.gz VDUCBMIMZBJULR-SJORKVTESA-N 2 0 339.524 3.144 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000414053001 309057941 /nfs/dbraw/zinc/05/79/41/309057941.db2.gz AGKMSFNQDLHCCU-QGZVFWFLSA-N 2 0 339.483 3.407 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)CCCO2 ZINC000126670139 307573288 /nfs/dbraw/zinc/57/32/88/307573288.db2.gz HGONXRYUTUWBKE-HXUWFJFHSA-N 2 0 346.515 3.318 20 0 EGADRP CC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000134553576 307689729 /nfs/dbraw/zinc/68/97/29/307689729.db2.gz ZKXDDTWBHXTQEV-QFBILLFUSA-N 2 0 349.544 3.170 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000150997468 307726848 /nfs/dbraw/zinc/72/68/48/307726848.db2.gz SWDTWLMOGHHFBQ-OAQYLSRUSA-N 2 0 331.548 3.178 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000414175912 309064916 /nfs/dbraw/zinc/06/49/16/309064916.db2.gz ISTMYPXJOHIOSC-HUUCEWRRSA-N 2 0 336.476 3.095 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000414175914 309065018 /nfs/dbraw/zinc/06/50/18/309065018.db2.gz ISTMYPXJOHIOSC-LSDHHAIUSA-N 2 0 336.476 3.095 20 0 EGADRP CC[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000151671736 307736770 /nfs/dbraw/zinc/73/67/70/307736770.db2.gz YWTUEFDGFTWOCT-NRFANRHFSA-N 2 0 329.532 3.158 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(N2CCCC2=O)c1 ZINC000414194571 309066119 /nfs/dbraw/zinc/06/61/19/309066119.db2.gz VUHSGJHUFABSDP-HNNXBMFYSA-N 2 0 334.423 3.312 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(F)c1 ZINC000163538094 307923095 /nfs/dbraw/zinc/92/30/95/307923095.db2.gz BQXVJRMCXJLVIG-OAHLLOKOSA-N 2 0 349.494 3.103 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249117343 308019230 /nfs/dbraw/zinc/01/92/30/308019230.db2.gz OIBNLZUKTHQWRH-ACRUOGEOSA-N 2 0 330.516 3.224 20 0 EGADRP OC1CCN(CC[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000294844989 308263315 /nfs/dbraw/zinc/26/33/15/308263315.db2.gz MWDQPVVWBMVURP-UHFFFAOYSA-N 2 0 344.421 3.074 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000294937324 308273841 /nfs/dbraw/zinc/27/38/41/308273841.db2.gz JKDDTNRMCCJHAM-OAHLLOKOSA-N 2 0 338.879 3.290 20 0 EGADRP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+](Cc2ccccc2)C1 ZINC000295122717 308294374 /nfs/dbraw/zinc/29/43/74/308294374.db2.gz XOYHLPMYRWHWFH-RGSBRZDASA-N 2 0 327.516 3.112 20 0 EGADRP COCC1CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000295225675 308304830 /nfs/dbraw/zinc/30/48/30/308304830.db2.gz RKADCQYSGACPBM-KBWCOIMZSA-N 2 0 330.516 3.346 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414658317 309094029 /nfs/dbraw/zinc/09/40/29/309094029.db2.gz JCCVVQLFYZHBAF-UHFFFAOYSA-N 2 0 330.451 3.141 20 0 EGADRP CC(C)C[C@H]([NH3+])c1noc(-c2ccccc2CC2CC[NH2+]CC2)n1 ZINC000414619207 309091905 /nfs/dbraw/zinc/09/19/05/309091905.db2.gz KGFNYFDZEBKVNT-KRWDZBQOSA-N 2 0 328.460 3.325 20 0 EGADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000414623671 309092245 /nfs/dbraw/zinc/09/22/45/309092245.db2.gz UJKYMRMUICKLLU-DJIMGWMZSA-N 2 0 328.460 3.351 20 0 EGADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000414623672 309092295 /nfs/dbraw/zinc/09/22/95/309092295.db2.gz UJKYMRMUICKLLU-OIISXLGYSA-N 2 0 328.460 3.351 20 0 EGADRP [NH3+]C1(c2noc([C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)CCC1 ZINC000414631781 309092666 /nfs/dbraw/zinc/09/26/66/309092666.db2.gz XRHPWYVZIPEFFK-CQSZACIVSA-N 2 0 348.397 3.032 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cs1 ZINC000296114135 308395121 /nfs/dbraw/zinc/39/51/21/308395121.db2.gz VAILXHIPEHMPIC-OAHLLOKOSA-N 2 0 330.501 3.054 20 0 EGADRP CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1cc2ccccc2o1 ZINC000414695401 309095863 /nfs/dbraw/zinc/09/58/63/309095863.db2.gz UPYAZCWUTYIOBN-HZPDHXFCSA-N 2 0 343.471 3.013 20 0 EGADRP Cc1cccc([C@H]2CCCCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414699176 309096139 /nfs/dbraw/zinc/09/61/39/309096139.db2.gz JMRWRXUMMSZNJU-AZUAARDMSA-N 2 0 343.515 3.109 20 0 EGADRP CC(C)c1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414716323 309096981 /nfs/dbraw/zinc/09/69/81/309096981.db2.gz ZUVHXVSNZSYLMU-FXAWDEMLSA-N 2 0 343.515 3.144 20 0 EGADRP COc1ccccc1COC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414742447 309098449 /nfs/dbraw/zinc/09/84/49/309098449.db2.gz GGZKAPUCHOWXQK-IAGOWNOFSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414745543 309098645 /nfs/dbraw/zinc/09/86/45/309098645.db2.gz KZQRNLZSNAHELF-NEPJUHHUSA-N 2 0 329.257 3.408 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)CC[NH2+]1 ZINC000414751038 309098795 /nfs/dbraw/zinc/09/87/95/309098795.db2.gz ZJCKGQSZVAKPMQ-SQNIBIBYSA-N 2 0 338.499 3.133 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC12CCOCC2 ZINC000414773084 309100038 /nfs/dbraw/zinc/10/00/38/309100038.db2.gz CWMQVRKSHDYSLJ-CYBMUJFWSA-N 2 0 334.847 3.274 20 0 EGADRP Fc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781103 309100630 /nfs/dbraw/zinc/10/06/30/309100630.db2.gz MNIMZPSSZAKYFT-OLZOCXBDSA-N 2 0 341.268 3.410 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414796589 309101923 /nfs/dbraw/zinc/10/19/23/309101923.db2.gz HUBCKDXKEFZBBW-UKRRQHHQSA-N 2 0 326.868 3.354 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414795307 309101947 /nfs/dbraw/zinc/10/19/47/309101947.db2.gz GNOZYXNZFXVHMF-KSSFIOAISA-N 2 0 349.906 3.052 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414809483 309102672 /nfs/dbraw/zinc/10/26/72/309102672.db2.gz UGQUYIKSXWZADX-HNAYVOBHSA-N 2 0 335.923 3.412 20 0 EGADRP FC(F)Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414833099 309104472 /nfs/dbraw/zinc/10/44/72/309104472.db2.gz PDQCWYDLXTXXSE-JTQLQIEISA-N 2 0 349.219 3.140 20 0 EGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414835424 309104675 /nfs/dbraw/zinc/10/46/75/309104675.db2.gz RSTALDVPCHPUPY-GFCCVEGCSA-N 2 0 338.377 3.185 20 0 EGADRP Cc1ccc(CC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000303766406 308755226 /nfs/dbraw/zinc/75/52/26/308755226.db2.gz MAOLZUWEPJOSKW-OALUTQOASA-N 2 0 330.516 3.359 20 0 EGADRP c1ccc(COc2ccccc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)nc1 ZINC000414844385 309105218 /nfs/dbraw/zinc/10/52/18/309105218.db2.gz DQAUYFUJAPYXDW-KRWDZBQOSA-N 2 0 325.456 3.140 20 0 EGADRP OC1(C(F)F)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411568285 308944385 /nfs/dbraw/zinc/94/43/85/308944385.db2.gz JZIAVMSPBQBYES-UHFFFAOYSA-N 2 0 338.442 3.265 20 0 EGADRP c1sc(COc2ccccc2)nc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414857017 309106015 /nfs/dbraw/zinc/10/60/15/309106015.db2.gz ZMIGVBVGLSTNMF-HNNXBMFYSA-N 2 0 331.485 3.201 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414878220 309106868 /nfs/dbraw/zinc/10/68/68/309106868.db2.gz ODLMMDUFSKRUEO-ZDUSSCGKSA-N 2 0 331.847 3.277 20 0 EGADRP C[C@H]([NH3+])c1ccc(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000414892201 309107693 /nfs/dbraw/zinc/10/76/93/309107693.db2.gz WUNIDLZLSJEQMK-AWEZNQCLSA-N 2 0 342.443 3.291 20 0 EGADRP COCC1(C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414966458 309112080 /nfs/dbraw/zinc/11/20/80/309112080.db2.gz CCYLNKJUGTYJPD-AWEZNQCLSA-N 2 0 344.421 3.242 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414969790 309112251 /nfs/dbraw/zinc/11/22/51/309112251.db2.gz JOFYXVGATBQUKG-GJZGRUSLSA-N 2 0 337.895 3.487 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000414986375 309112881 /nfs/dbraw/zinc/11/28/81/309112881.db2.gz CDJDCYNVHAQIBZ-CABCVRRESA-N 2 0 331.485 3.329 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414991314 309113000 /nfs/dbraw/zinc/11/30/00/309113000.db2.gz AYWUPVMQLUVTRV-XPKDYRNWSA-N 2 0 325.294 3.487 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000415007441 309113856 /nfs/dbraw/zinc/11/38/56/309113856.db2.gz RJSLEWNQKSIYQH-JSGCOSHPSA-N 2 0 345.468 3.146 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000415009513 309114131 /nfs/dbraw/zinc/11/41/31/309114131.db2.gz UELZDALNERNUBL-FUHWJXTLSA-N 2 0 335.923 3.412 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000415014291 309114489 /nfs/dbraw/zinc/11/44/89/309114489.db2.gz WLQVRIDUFSCMJJ-GOEBONIOSA-N 2 0 338.879 3.225 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415032843 309115399 /nfs/dbraw/zinc/11/53/99/309115399.db2.gz AZQISBPUSNTBCJ-CABCVRRESA-N 2 0 340.414 3.261 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cc2)cs1 ZINC000415034258 309115682 /nfs/dbraw/zinc/11/56/82/309115682.db2.gz JUKYOCIPZKFQMN-JKSUJKDBSA-N 2 0 331.485 3.248 20 0 EGADRP c1ccc(CC[C@H](Cc2ccccc2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415042640 309116019 /nfs/dbraw/zinc/11/60/19/309116019.db2.gz QUABYMVGFFGMHR-FGZHOGPDSA-N 2 0 338.495 3.199 20 0 EGADRP c1ccc(CC[C@H](Cc2ccccc2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415042642 309116179 /nfs/dbraw/zinc/11/61/79/309116179.db2.gz QUABYMVGFFGMHR-YADHBBJMSA-N 2 0 338.495 3.199 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415049294 309116488 /nfs/dbraw/zinc/11/64/88/309116488.db2.gz XTWNEDFYAPUARL-IKGGRYGDSA-N 2 0 342.405 3.310 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]C3CC[NH2+]CC3)CC2)cc1Cl ZINC000415076491 309118521 /nfs/dbraw/zinc/11/85/21/309118521.db2.gz CORNWQSONJARHT-UHFFFAOYSA-N 2 0 342.314 3.299 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1OCC[NH+](C)C ZINC000415075124 309118618 /nfs/dbraw/zinc/11/86/18/309118618.db2.gz BBWGAPOYQRKWQR-IEBWSBKVSA-N 2 0 333.520 3.027 20 0 EGADRP COc1cccc(C([NH2+]CC2CC[NH2+]CC2)c2cccc(OC)c2)c1 ZINC000415078464 309118680 /nfs/dbraw/zinc/11/86/80/309118680.db2.gz GKDXGMXUAGLSPY-UHFFFAOYSA-N 2 0 340.467 3.382 20 0 EGADRP CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415078070 309118725 /nfs/dbraw/zinc/11/87/25/309118725.db2.gz ICBGCENWQBWTDW-CQSZACIVSA-N 2 0 325.294 3.359 20 0 EGADRP Brc1ccc(C2(C[NH2+]C[C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000415080841 309118929 /nfs/dbraw/zinc/11/89/29/309118929.db2.gz MEHGXDKNAWZVFJ-CQSZACIVSA-N 2 0 337.305 3.460 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000415087076 309119351 /nfs/dbraw/zinc/11/93/51/309119351.db2.gz TUTGESSJDSWXHA-OFLPRAFFSA-N 2 0 339.886 3.303 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C1 ZINC000415117187 309121468 /nfs/dbraw/zinc/12/14/68/309121468.db2.gz BWWUHFBLIAVKMS-NVXWUHKLSA-N 2 0 340.414 3.006 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415133650 309122904 /nfs/dbraw/zinc/12/29/04/309122904.db2.gz VJBVPNVZQGBCKY-UKRRQHHQSA-N 2 0 332.879 3.251 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415134893 309123031 /nfs/dbraw/zinc/12/30/31/309123031.db2.gz WHOPEJJGLLDWGS-PMACEKPBSA-N 2 0 332.488 3.192 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]([NH3+])c3ccccc3)ccc21 ZINC000415784566 309143853 /nfs/dbraw/zinc/14/38/53/309143853.db2.gz HHTIQQJEEIJOAL-RBUKOAKNSA-N 2 0 338.455 3.057 20 0 EGADRP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415796957 309144060 /nfs/dbraw/zinc/14/40/60/309144060.db2.gz YXRLPGPLXHWTHL-IEBWSBKVSA-N 2 0 332.492 3.121 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000415908468 309147680 /nfs/dbraw/zinc/14/76/80/309147680.db2.gz PMSFSBYGMPWOTN-UHFFFAOYSA-N 2 0 334.508 3.427 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415926408 309149078 /nfs/dbraw/zinc/14/90/78/309149078.db2.gz DEOZAORSSNGZGS-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000415927926 309149314 /nfs/dbraw/zinc/14/93/14/309149314.db2.gz DWASGMIBPCEHRF-HOTGVXAUSA-N 2 0 332.492 3.181 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000415929453 309149358 /nfs/dbraw/zinc/14/93/58/309149358.db2.gz HFHWVQXJWSVQJB-UHFFFAOYSA-N 2 0 346.519 3.382 20 0 EGADRP C[NH+](C)C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000415945749 309150620 /nfs/dbraw/zinc/15/06/20/309150620.db2.gz DOHFYHBZSAUOQG-KRWDZBQOSA-N 2 0 346.862 3.223 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972755 309152241 /nfs/dbraw/zinc/15/22/41/309152241.db2.gz IUBFBTCRSMSKJN-FUHWJXTLSA-N 2 0 332.492 3.167 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000415985642 309152976 /nfs/dbraw/zinc/15/29/76/309152976.db2.gz SXBUBEYRNJKCNZ-HNAYVOBHSA-N 2 0 340.471 3.219 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1 ZINC000416019242 309154867 /nfs/dbraw/zinc/15/48/67/309154867.db2.gz XHBXFCJXSRIMDZ-GOSISDBHSA-N 2 0 332.492 3.038 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416128462 309159789 /nfs/dbraw/zinc/15/97/89/309159789.db2.gz UQXHRAQTULLBEO-HXUWFJFHSA-N 2 0 339.483 3.057 20 0 EGADRP CCn1cncc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000417869490 309225995 /nfs/dbraw/zinc/22/59/95/309225995.db2.gz LJPSVXGBYGCIKQ-KRWDZBQOSA-N 2 0 326.488 3.425 20 0 EGADRP CCn1cncc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417910503 309228002 /nfs/dbraw/zinc/22/80/02/309228002.db2.gz KARUORGWXCSBGL-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000419333267 309264790 /nfs/dbraw/zinc/26/47/90/309264790.db2.gz FKXHOBQLRZGJQQ-MRXNPFEDSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCN(c2ccccn2)CC1 ZINC000420321664 309282147 /nfs/dbraw/zinc/28/21/47/309282147.db2.gz RKSHIXNIZQRRDZ-SFHVURJKSA-N 2 0 330.520 3.010 20 0 EGADRP O=C(c1cc(F)ccc1F)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420323391 309282196 /nfs/dbraw/zinc/28/21/96/309282196.db2.gz TZTKMBQXPPFUEL-CQSZACIVSA-N 2 0 336.426 3.249 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3nccs3)CC2)cc1 ZINC000420327329 309282252 /nfs/dbraw/zinc/28/22/52/309282252.db2.gz YNTFTTXYVXOWAL-INIZCTEOSA-N 2 0 331.485 3.074 20 0 EGADRP CCC[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420337110 309283013 /nfs/dbraw/zinc/28/30/13/309283013.db2.gz JKSLLBBDCLLXLW-UXHICEINSA-N 2 0 343.515 3.108 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336095 309283105 /nfs/dbraw/zinc/28/31/05/309283105.db2.gz ILQAJRXVEWPGPZ-HRCADAONSA-N 2 0 349.906 3.297 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420335998 309283113 /nfs/dbraw/zinc/28/31/13/309283113.db2.gz IIZVNHYGUSVBCL-KSSFIOAISA-N 2 0 347.528 3.200 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420343692 309283437 /nfs/dbraw/zinc/28/34/37/309283437.db2.gz ZUTLVGDNKVMBRD-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344062 309283482 /nfs/dbraw/zinc/28/34/82/309283482.db2.gz RVRDGXOYAPOXQI-XHSDSOJGSA-N 2 0 347.528 3.057 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000420361950 309283994 /nfs/dbraw/zinc/28/39/94/309283994.db2.gz NUJJRBCBEIGDLM-ICSRJNTNSA-N 2 0 339.483 3.314 20 0 EGADRP FC(F)(F)c1ccc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420372137 309284907 /nfs/dbraw/zinc/28/49/07/309284907.db2.gz LDKBVKGXGXWUNR-XJKSGUPXSA-N 2 0 328.378 3.078 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3nc4ccccc4s3)CC2)C1 ZINC000420379998 309285233 /nfs/dbraw/zinc/28/52/33/309285233.db2.gz BHSYHEKEZCNBCB-HOCLYGCPSA-N 2 0 331.485 3.015 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000420395490 309286355 /nfs/dbraw/zinc/28/63/55/309286355.db2.gz DMCBOQYKFKIMCA-BBRMVZONSA-N 2 0 346.450 3.033 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000420395492 309286408 /nfs/dbraw/zinc/28/64/08/309286408.db2.gz DMCBOQYKFKIMCA-CJNGLKHVSA-N 2 0 346.450 3.033 20 0 EGADRP Brc1cccc2c1OCC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000420402633 309286577 /nfs/dbraw/zinc/28/65/77/309286577.db2.gz KCZPUGMOLALAOP-HNNXBMFYSA-N 2 0 339.277 3.252 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000421318840 309318220 /nfs/dbraw/zinc/31/82/20/309318220.db2.gz IKUHTKVGCHPQKX-UWJYYQICSA-N 2 0 327.516 3.022 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc4ccoc43)CC2)CC1 ZINC000421379392 309321625 /nfs/dbraw/zinc/32/16/25/309321625.db2.gz UODKETJBWNZOCH-UHFFFAOYSA-N 2 0 341.499 3.425 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000421381488 309321833 /nfs/dbraw/zinc/32/18/33/309321833.db2.gz WTUYEDFWDFGDSR-IRLDBZIGSA-N 2 0 341.543 3.282 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000421858620 309343695 /nfs/dbraw/zinc/34/36/95/309343695.db2.gz ROMJVFMYCFKKKO-AWEZNQCLSA-N 2 0 341.902 3.026 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000422560165 309361651 /nfs/dbraw/zinc/36/16/51/309361651.db2.gz FYNVZCMERSQKAF-LMMKCTJWSA-N 2 0 339.483 3.466 20 0 EGADRP COc1sc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1Br ZINC000422559451 309361732 /nfs/dbraw/zinc/36/17/32/309361732.db2.gz DAJDEZHUMUVXRC-DCAQKATOSA-N 2 0 347.322 3.324 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000422692002 309363324 /nfs/dbraw/zinc/36/33/24/309363324.db2.gz JRJYNDKMVREAHW-OAGGEKHMSA-N 2 0 343.471 3.446 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000422691769 309363397 /nfs/dbraw/zinc/36/33/97/309363397.db2.gz IYCWKBXJROXHCZ-GJZGRUSLSA-N 2 0 329.444 3.488 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422694051 309363409 /nfs/dbraw/zinc/36/34/09/309363409.db2.gz NHEDKRUZUYMERC-VQIMIIECSA-N 2 0 341.455 3.490 20 0 EGADRP Clc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422698728 309363648 /nfs/dbraw/zinc/36/36/48/309363648.db2.gz ATDLEFNJNDINFC-FGTMMUONSA-N 2 0 334.891 3.118 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422718776 309364612 /nfs/dbraw/zinc/36/46/12/309364612.db2.gz QAXYSIQIXODZME-CLAROIROSA-N 3 0 341.543 3.061 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422733677 309365658 /nfs/dbraw/zinc/36/56/58/309365658.db2.gz REXRMHMRSQVYMD-PGRDOPGGSA-N 2 0 337.511 3.199 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000422740500 309366092 /nfs/dbraw/zinc/36/60/92/309366092.db2.gz MWIWSECJONVTIS-GPHNJDIKSA-N 2 0 337.511 3.370 20 0 EGADRP CCC(CC)(CN[C@H](C)C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000422773972 309367650 /nfs/dbraw/zinc/36/76/50/309367650.db2.gz ZNEOTWYTYLPJHY-HBFSDRIKSA-N 2 0 347.547 3.253 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422782617 309368015 /nfs/dbraw/zinc/36/80/15/309368015.db2.gz JWEBMVXILXYXOS-AEFFLSMTSA-N 2 0 332.488 3.295 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Oc1cccc(Br)c1 ZINC000422788546 309368170 /nfs/dbraw/zinc/36/81/70/309368170.db2.gz AWZGZHUKEAKFRQ-KCXAZCMYSA-N 2 0 341.293 3.466 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422792252 309368486 /nfs/dbraw/zinc/36/84/86/309368486.db2.gz RBOCHAFZLHOAIA-GUXCAODWSA-N 2 0 328.456 3.011 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422792250 309368562 /nfs/dbraw/zinc/36/85/62/309368562.db2.gz RBOCHAFZLHOAIA-GQIGUUNPSA-N 2 0 328.456 3.011 20 0 EGADRP C[C@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422793607 309368723 /nfs/dbraw/zinc/36/87/23/309368723.db2.gz XBRJGBGLAKWCOU-KXBFYZLASA-N 2 0 335.923 3.425 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422797403 309368938 /nfs/dbraw/zinc/36/89/38/309368938.db2.gz MKBPTRPPEHBKBM-AZUAARDMSA-N 2 0 326.415 3.480 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422799498 309368994 /nfs/dbraw/zinc/36/89/94/309368994.db2.gz XANMNCWEXWSMNT-PNHOKKKMSA-N 2 0 344.430 3.460 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccc(C)cc2)C2CC2)CC[NH2+]CC1 ZINC000422810238 309369573 /nfs/dbraw/zinc/36/95/73/309369573.db2.gz NBOUHQHHKGCHDI-QFBILLFUSA-N 2 0 344.499 3.357 20 0 EGADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccnc(Oc2cccc(C)c2C)c1 ZINC000422810655 309369739 /nfs/dbraw/zinc/36/97/39/309369739.db2.gz SCTRFWRKAUAKOC-SFHVURJKSA-N 2 0 343.471 3.334 20 0 EGADRP COCc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422810613 309369835 /nfs/dbraw/zinc/36/98/35/309369835.db2.gz RYMJUZOKIHAHQP-CTNGQTDRSA-N 2 0 338.451 3.179 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422822441 309370412 /nfs/dbraw/zinc/37/04/12/309370412.db2.gz KAEPVHPXYZVZOO-SLFFLAALSA-N 3 0 345.531 3.027 20 0 EGADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)cn1 ZINC000422826113 309370486 /nfs/dbraw/zinc/37/04/86/309370486.db2.gz KVTQSPMSKBWKBZ-PCCBWWKXSA-N 2 0 338.499 3.332 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Oc1ccccc1Br ZINC000422839787 309371380 /nfs/dbraw/zinc/37/13/80/309371380.db2.gz RHNCUCLREDEFAT-VHDGCEQUSA-N 2 0 341.293 3.466 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422842766 309371567 /nfs/dbraw/zinc/37/15/67/309371567.db2.gz GJBHEPKYSWUUPO-BBRMVZONSA-N 2 0 327.875 3.333 20 0 EGADRP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422860822 309372449 /nfs/dbraw/zinc/37/24/49/309372449.db2.gz LWCNZMGAAPZEMK-XUVXKRRUSA-N 2 0 341.499 3.214 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2)n1 ZINC000422869309 309372875 /nfs/dbraw/zinc/37/28/75/309372875.db2.gz XHPKQWYPJKAIRQ-FOIQADDNSA-N 2 0 326.488 3.009 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422872534 309373123 /nfs/dbraw/zinc/37/31/23/309373123.db2.gz HMMUVKCSPJDRBG-KSCDAYEDSA-N 2 0 337.511 3.198 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422874856 309373212 /nfs/dbraw/zinc/37/32/12/309373212.db2.gz DKZBPWUBJDFEOR-XVSDAANHSA-N 3 0 327.516 3.291 20 0 EGADRP CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1OC(F)F ZINC000422878676 309373432 /nfs/dbraw/zinc/37/34/32/309373432.db2.gz UBYJHQJBPJQDLB-TZMCWYRMSA-N 2 0 328.403 3.294 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])CCOCC2)cc1 ZINC000422879255 309373696 /nfs/dbraw/zinc/37/36/96/309373696.db2.gz LYPXKVDEHGRLLL-XLIONFOSSA-N 2 0 346.515 3.241 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422881992 309373814 /nfs/dbraw/zinc/37/38/14/309373814.db2.gz OPBGIMALGGMLGL-DZKIICNBSA-N 2 0 330.476 3.009 20 0 EGADRP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422881918 309373875 /nfs/dbraw/zinc/37/38/75/309373875.db2.gz ZOIQEFYSKCCFGO-YTQUADARSA-N 2 0 334.504 3.406 20 0 EGADRP COCc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422886722 309374358 /nfs/dbraw/zinc/37/43/58/309374358.db2.gz XHCWRXLDMGTJLK-FPOVZHCZSA-N 2 0 338.451 3.179 20 0 EGADRP Fc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422899580 309374972 /nfs/dbraw/zinc/37/49/72/309374972.db2.gz HRGCNCDSLXQONE-PKOBYXMFSA-N 2 0 330.378 3.310 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc3ccccc32)CC[NH2+]CC1 ZINC000422917394 309375948 /nfs/dbraw/zinc/37/59/48/309375948.db2.gz DPUQKHZPJKVAAR-MRXNPFEDSA-N 2 0 340.467 3.251 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422934632 309377021 /nfs/dbraw/zinc/37/70/21/309377021.db2.gz CSZCPLGKPHBTHK-VSZNYVQBSA-N 2 0 330.472 3.419 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422939709 309377173 /nfs/dbraw/zinc/37/71/73/309377173.db2.gz IFCSXAXWDCYWJG-AWEZNQCLSA-N 2 0 332.517 3.372 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422954851 309377860 /nfs/dbraw/zinc/37/78/60/309377860.db2.gz IFWUOVOYFAUIDV-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422969270 309378992 /nfs/dbraw/zinc/37/89/92/309378992.db2.gz ZKPNKYYUAZYQBZ-UHFFFAOYSA-N 2 0 326.488 3.220 20 0 EGADRP COc1cc(NCC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc(OC)c1 ZINC000422997728 309380120 /nfs/dbraw/zinc/38/01/20/309380120.db2.gz BQBFRCAQYBJCOF-CVEARBPZSA-N 2 0 335.492 3.016 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000423014945 309380913 /nfs/dbraw/zinc/38/09/13/309380913.db2.gz JOVOOXGDNNHTHJ-BTJFUYOGSA-N 2 0 326.843 3.416 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423015050 309380976 /nfs/dbraw/zinc/38/09/76/309380976.db2.gz QHLAPEBVSFQNCQ-DOTOQJQBSA-N 2 0 342.462 3.307 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423019796 309381294 /nfs/dbraw/zinc/38/12/94/309381294.db2.gz XFJSCUPJMZTDGR-GESALYCCSA-N 2 0 347.409 3.308 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423019797 309381385 /nfs/dbraw/zinc/38/13/85/309381385.db2.gz XFJSCUPJMZTDGR-NXXSPTCGSA-N 2 0 347.409 3.308 20 0 EGADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423038296 309382458 /nfs/dbraw/zinc/38/24/58/309382458.db2.gz OEZICVGVQXJJKU-NRXGSXMXSA-N 2 0 343.496 3.401 20 0 EGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423058369 309383646 /nfs/dbraw/zinc/38/36/46/309383646.db2.gz BYKMOMMNKRDWKZ-QBPKDAKJSA-N 2 0 342.405 3.079 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423070685 309384235 /nfs/dbraw/zinc/38/42/35/309384235.db2.gz NKCVIEXCJROCAT-CFVMTHIKSA-N 2 0 328.287 3.432 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423075639 309384620 /nfs/dbraw/zinc/38/46/20/309384620.db2.gz PAKJMVKVCBZNRP-LEAZDLGRSA-N 2 0 334.479 3.007 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423081424 309384942 /nfs/dbraw/zinc/38/49/42/309384942.db2.gz BRGLJWRQFASVDS-KDOFPFPSSA-N 2 0 348.462 3.114 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)cc1C ZINC000423087029 309385133 /nfs/dbraw/zinc/38/51/33/309385133.db2.gz NAHKVNXYNUWFPH-NJDAHSKKSA-N 2 0 342.527 3.472 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423094426 309385478 /nfs/dbraw/zinc/38/54/78/309385478.db2.gz BTTWSQZXBXAGBC-CBQBGGRISA-N 2 0 326.843 3.067 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000423095638 309385826 /nfs/dbraw/zinc/38/58/26/309385826.db2.gz MTYXOPIVNSDCDG-IINYFYTJSA-N 2 0 338.801 3.499 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423110556 309386425 /nfs/dbraw/zinc/38/64/25/309386425.db2.gz VBBKVHXLEWLQAT-AQNXPRMDSA-N 2 0 325.456 3.032 20 0 EGADRP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423109876 309386458 /nfs/dbraw/zinc/38/64/58/309386458.db2.gz TWQPVRGTTMNXDK-FGTMMUONSA-N 2 0 347.890 3.041 20 0 EGADRP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423125245 309387260 /nfs/dbraw/zinc/38/72/60/309387260.db2.gz PYXAJSLLPWXLIH-RFQIPJPRSA-N 2 0 326.893 3.136 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423129648 309387399 /nfs/dbraw/zinc/38/73/99/309387399.db2.gz XMNIFHXZHYYMMX-CEXWTWQISA-N 2 0 328.504 3.001 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423138666 309387936 /nfs/dbraw/zinc/38/79/36/309387936.db2.gz JSJKPUNKCIJZGH-ZAWLATJESA-N 2 0 331.479 3.162 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(Cl)c1OC ZINC000423140123 309388009 /nfs/dbraw/zinc/38/80/09/309388009.db2.gz XKDYJTKZORFQIW-KGLIPLIRSA-N 2 0 326.868 3.149 20 0 EGADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423142834 309388195 /nfs/dbraw/zinc/38/81/95/309388195.db2.gz BJDBXDRNAIOMTG-QXCFHYIPSA-N 2 0 336.426 3.089 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000423181332 309389359 /nfs/dbraw/zinc/38/93/59/309389359.db2.gz OVBLJBFACRGBFR-NSHDSACASA-N 2 0 334.266 3.078 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423271560 309393293 /nfs/dbraw/zinc/39/32/93/309393293.db2.gz IVUMFUGUDOZJMG-QESAQDPVSA-N 3 0 341.543 3.409 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423282832 309393908 /nfs/dbraw/zinc/39/39/08/309393908.db2.gz WMCXBRZZPZHRAI-USXIJHARSA-N 2 0 337.305 3.414 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423312456 309394857 /nfs/dbraw/zinc/39/48/57/309394857.db2.gz RXHHIGLQDSKUMF-MRXNPFEDSA-N 2 0 339.483 3.478 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000423320278 309394931 /nfs/dbraw/zinc/39/49/31/309394931.db2.gz DKEYQBIZFXEKBY-FUHIMQAGSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423322346 309395157 /nfs/dbraw/zinc/39/51/57/309395157.db2.gz GYNWZLCGLXWPLE-MJGOQNOKSA-N 2 0 345.531 3.483 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000423326447 309395431 /nfs/dbraw/zinc/39/54/31/309395431.db2.gz KNDPSQXMMYNPMQ-YVEFUNNKSA-N 2 0 328.403 3.337 20 0 EGADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1C[NH2+]C1 ZINC000423337568 309396005 /nfs/dbraw/zinc/39/60/05/309396005.db2.gz YLMNIUKSRIRIDC-OAHLLOKOSA-N 2 0 334.261 3.117 20 0 EGADRP CC(C)(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423373227 309397499 /nfs/dbraw/zinc/39/74/99/309397499.db2.gz RSZORMFPSGMUKL-IBGZPJMESA-N 2 0 343.515 3.190 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000423371159 309397577 /nfs/dbraw/zinc/39/75/77/309397577.db2.gz HOFDLOMEVOUHOH-ROUUACIJSA-N 2 0 343.515 3.435 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000423385319 309398118 /nfs/dbraw/zinc/39/81/18/309398118.db2.gz IMJIYSJLBRBHKN-NSHDSACASA-N 2 0 347.322 3.177 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](C)[NH3+] ZINC000423389207 309398123 /nfs/dbraw/zinc/39/81/23/309398123.db2.gz LGXCANLAHCERBQ-LFGUQSLTSA-N 2 0 345.531 3.117 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CCN1Cc1ccccc1 ZINC000423388190 309398153 /nfs/dbraw/zinc/39/81/53/309398153.db2.gz NFQFUGSBPSSKIV-HTAPYJJXSA-N 2 0 335.495 3.433 20 0 EGADRP CCC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423390149 309398458 /nfs/dbraw/zinc/39/84/58/309398458.db2.gz OHPIGBGNTNGUHM-KBPBESRZSA-N 2 0 335.439 3.015 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC[NH2+]CC1 ZINC000423399605 309398586 /nfs/dbraw/zinc/39/85/86/309398586.db2.gz DZLYXZWGRIDDFK-ZDUSSCGKSA-N 2 0 346.393 3.252 20 0 EGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C2CC2)c1 ZINC000423396065 309398606 /nfs/dbraw/zinc/39/86/06/309398606.db2.gz RFVBZKQIIJYEAX-DYVFJYSZSA-N 2 0 341.421 3.051 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423422642 309399642 /nfs/dbraw/zinc/39/96/42/309399642.db2.gz BUAMWWPXBGAJEM-LJWDBELGSA-N 2 0 342.256 3.022 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423478223 309401775 /nfs/dbraw/zinc/40/17/75/309401775.db2.gz KSSDSIQBRSSPIB-RDJZCZTQSA-N 2 0 332.492 3.399 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423490029 309402746 /nfs/dbraw/zinc/40/27/46/309402746.db2.gz HGXVBDQMZUDNAS-RLFYNMQTSA-N 2 0 332.492 3.338 20 0 EGADRP CC(C)(C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423709266 309410508 /nfs/dbraw/zinc/41/05/08/309410508.db2.gz IETVBRITUCZUGK-LJQANCHMSA-N 2 0 343.515 3.190 20 0 EGADRP [NH3+]Cc1ccc(-c2noc(CC[C@H]([NH3+])CC3CCCCC3)n2)cc1 ZINC000424342628 309439704 /nfs/dbraw/zinc/43/97/04/309439704.db2.gz YNWGWPQBTJXMIS-KRWDZBQOSA-N 2 0 328.460 3.426 20 0 EGADRP COc1cc2[nH+]ccc(N(C)CC[NH+](C)C)c2cc1Br ZINC000425231096 309469422 /nfs/dbraw/zinc/46/94/22/309469422.db2.gz MOTMJDZBEQOKPN-UHFFFAOYSA-N 2 0 338.249 3.004 20 0 EGADRP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH2+]CC)CC1)c1ccccc1 ZINC000430566167 309610934 /nfs/dbraw/zinc/61/09/34/309610934.db2.gz BSYIQHFQYIQRAP-FXAWDEMLSA-N 2 0 345.531 3.354 20 0 EGADRP Fc1ccc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430957007 309622122 /nfs/dbraw/zinc/62/21/22/309622122.db2.gz NEDHEFVVCINWSV-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP Clc1cccc(Cl)c1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431011560 309623321 /nfs/dbraw/zinc/62/33/21/309623321.db2.gz DDFMAQLWXRPDSK-UHFFFAOYSA-N 2 0 329.271 3.448 20 0 EGADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCOCC[NH+](C)C ZINC000447593135 309983627 /nfs/dbraw/zinc/98/36/27/309983627.db2.gz QBJFNXQPNOITNB-MRXNPFEDSA-N 2 0 326.868 3.030 20 0 EGADRP C[NH+](C)CCOCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000447599809 309983919 /nfs/dbraw/zinc/98/39/19/309983919.db2.gz KXLCWVGXTZLVHK-UHFFFAOYSA-N 2 0 334.410 3.222 20 0 EGADRP C[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552476 310006145 /nfs/dbraw/zinc/00/61/45/310006145.db2.gz ZVQPHDFXUFIEPR-TZIWHRDSSA-N 2 0 329.532 3.315 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000449081041 310035495 /nfs/dbraw/zinc/03/54/95/310035495.db2.gz BGBXHOLQNQLBKO-LJQANCHMSA-N 2 0 330.520 3.282 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000449132019 310039231 /nfs/dbraw/zinc/03/92/31/310039231.db2.gz RDOYDPMEERUDBI-KRWDZBQOSA-N 2 0 343.515 3.227 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(F)c1Br ZINC000449222457 310045621 /nfs/dbraw/zinc/04/56/21/310045621.db2.gz MLOHJAAWLXSMHO-ZDUSSCGKSA-N 2 0 347.272 3.035 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000449328846 310053951 /nfs/dbraw/zinc/05/39/51/310053951.db2.gz GPGJYHYYKJWUIH-IOMROCGXSA-N 2 0 330.516 3.365 20 0 EGADRP CCO[C@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C[C@@H]1C ZINC000449501816 310067322 /nfs/dbraw/zinc/06/73/22/310067322.db2.gz WEQLXXQQLZXHSU-RXVVDRJESA-N 2 0 345.531 3.075 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000449738989 310083354 /nfs/dbraw/zinc/08/33/54/310083354.db2.gz HRRPJBISWQDTDP-PLACYPQZSA-N 2 0 328.500 3.038 20 0 EGADRP CCc1cc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc[nH+]1 ZINC000450374165 310118760 /nfs/dbraw/zinc/11/87/60/310118760.db2.gz VFTDCRAFWSGKGH-UHFFFAOYSA-N 2 0 344.547 3.277 20 0 EGADRP CCc1cc(N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc[nH+]1 ZINC000450470159 310124538 /nfs/dbraw/zinc/12/45/38/310124538.db2.gz SYLJNHWNKAGSFX-BBRMVZONSA-N 2 0 334.464 3.149 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000450549516 310129574 /nfs/dbraw/zinc/12/95/74/310129574.db2.gz BWHKFQDNJXRETG-SFHLNBCPSA-N 2 0 329.532 3.456 20 0 EGADRP COCC[C@H](c1ccccc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000451837013 310199664 /nfs/dbraw/zinc/19/96/64/310199664.db2.gz IXLPXQKVAWQGBR-OAQYLSRUSA-N 2 0 346.515 3.199 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)CO2 ZINC000453061393 310255389 /nfs/dbraw/zinc/25/53/89/310255389.db2.gz PCKFXNOESQGWJE-SJLPKXTDSA-N 2 0 332.488 3.100 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccncn3)CC2)cc1 ZINC000453098459 310257636 /nfs/dbraw/zinc/25/76/36/310257636.db2.gz YCDNJBXOTXQXEM-MRXNPFEDSA-N 2 0 340.471 3.048 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453098140 310257653 /nfs/dbraw/zinc/25/76/53/310257653.db2.gz ZVRWWOPQIJIEDB-NJDAHSKKSA-N 2 0 338.499 3.224 20 0 EGADRP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000453171984 310262171 /nfs/dbraw/zinc/26/21/71/310262171.db2.gz YCUFHBKTYKDXFV-JRGCBEDISA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453237315 310266003 /nfs/dbraw/zinc/26/60/03/310266003.db2.gz VDICGSLMNIHQIK-DOIPELPJSA-N 2 0 330.516 3.284 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000453335679 310271675 /nfs/dbraw/zinc/27/16/75/310271675.db2.gz IXRHTBKFTXHMPQ-NJDAHSKKSA-N 2 0 342.527 3.429 20 0 EGADRP Cc1ccc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)nc1 ZINC000453428013 310276554 /nfs/dbraw/zinc/27/65/54/310276554.db2.gz OYWJPKVIMWDAHZ-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP C[N@H+](CCCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000453593047 310283397 /nfs/dbraw/zinc/28/33/97/310283397.db2.gz GCWZMVUGGDGBDY-UHFFFAOYSA-N 2 0 338.879 3.465 20 0 EGADRP COc1c(Br)cccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453605047 310283843 /nfs/dbraw/zinc/28/38/43/310283843.db2.gz ZSZSYVUKZDOQGA-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP CC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000469309725 310702876 /nfs/dbraw/zinc/70/28/76/310702876.db2.gz OQNJYPDTPIPCOL-WOJBJXKFSA-N 2 0 345.531 3.369 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)[C@H]1C ZINC000474475434 310794372 /nfs/dbraw/zinc/79/43/72/310794372.db2.gz YKZXGXZYZPGRSM-VJANTYMQSA-N 2 0 338.536 3.454 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000486939105 311003031 /nfs/dbraw/zinc/00/30/31/311003031.db2.gz JHJIUKSDQQQIEM-FXAWDEMLSA-N 2 0 343.515 3.097 20 0 EGADRP CCC[N@H+](CCCn1ccnc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490083510 311132925 /nfs/dbraw/zinc/13/29/25/311132925.db2.gz CEOUBXAFRMPVCY-QGZVFWFLSA-N 2 0 328.460 3.321 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000491142344 311165914 /nfs/dbraw/zinc/16/59/14/311165914.db2.gz WRTPFMQFADYCJN-NQIIRXRSSA-N 2 0 343.559 3.142 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491214285 311168465 /nfs/dbraw/zinc/16/84/65/311168465.db2.gz VWDLZEFPKPUJPG-YADHBBJMSA-N 2 0 342.527 3.423 20 0 EGADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497070746 311811451 /nfs/dbraw/zinc/81/14/51/311811451.db2.gz HWXGIFVINQYKRX-IAGOWNOFSA-N 2 0 337.508 3.064 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000497241151 311842384 /nfs/dbraw/zinc/84/23/84/311842384.db2.gz BKVUDOGUVDSENN-ZGRYLRDCSA-N 2 0 339.524 3.142 20 0 EGADRP Cc1ccc(F)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507722555 312081227 /nfs/dbraw/zinc/08/12/27/312081227.db2.gz JTHMBDOVFGHOBM-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP C[C@@H](NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709147 312100307 /nfs/dbraw/zinc/10/03/07/312100307.db2.gz FWFJCBYOJGYCOJ-UYAOXDASSA-N 3 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511029321 312153336 /nfs/dbraw/zinc/15/33/36/312153336.db2.gz MKHZSPPBXLGSRP-IOMROCGXSA-N 2 0 330.516 3.428 20 0 EGADRP Fc1ccc(/C=C\C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000512480283 312187525 /nfs/dbraw/zinc/18/75/25/312187525.db2.gz MPRQNXLINLSQCU-UPHRSURJSA-N 2 0 332.463 3.273 20 0 EGADRP Cc1n[nH]c(C)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513495478 312211583 /nfs/dbraw/zinc/21/15/83/312211583.db2.gz QFXSZZXFGXDXMK-HNAYVOBHSA-N 2 0 326.488 3.417 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1OC ZINC000515556608 312289512 /nfs/dbraw/zinc/28/95/12/312289512.db2.gz LZSQXDYWTNOADQ-WBVHZDCISA-N 2 0 334.504 3.263 20 0 EGADRP CC(C)CN(C(=O)CC[C@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000516275808 312318911 /nfs/dbraw/zinc/31/89/11/312318911.db2.gz ZKXZQUJNNPDYRK-IBGZPJMESA-N 2 0 331.504 3.045 20 0 EGADRP C[C@@H]1C[N@H+](CCCNCc2ncc(C(C)(C)C)s2)CCCO1 ZINC000516920878 312350940 /nfs/dbraw/zinc/35/09/40/312350940.db2.gz PTCZVDSOPNQNMB-CQSZACIVSA-N 2 0 325.522 3.031 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000517125721 312364606 /nfs/dbraw/zinc/36/46/06/312364606.db2.gz YSRXBNWMUUPUMZ-HNNXBMFYSA-N 2 0 325.456 3.207 20 0 EGADRP CCc1nccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375719 313077402 /nfs/dbraw/zinc/07/74/02/313077402.db2.gz CSFUOTIRDNMGIC-ZWKOTPCHSA-N 2 0 344.503 3.016 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424801 313090027 /nfs/dbraw/zinc/09/00/27/313090027.db2.gz NDWAPWWWTGYKRW-UIFIKXQLSA-N 2 0 346.490 3.332 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@H](C)C[C@H](C)[NH3+])CC2)c(OC)c1 ZINC000530214787 313498069 /nfs/dbraw/zinc/49/80/69/313498069.db2.gz YCRAQFZNLQMOBU-UONOGXRCSA-N 2 0 336.476 3.018 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000537963663 314220397 /nfs/dbraw/zinc/22/03/97/314220397.db2.gz ROWZOPVIKANSHK-FXAWDEMLSA-N 2 0 334.504 3.230 20 0 EGADRP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000537992210 314222257 /nfs/dbraw/zinc/22/22/57/314222257.db2.gz ZPPRDXPHCNKQRM-HXHBTQRASA-N 2 0 343.559 3.388 20 0 EGADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000538197809 314231506 /nfs/dbraw/zinc/23/15/06/314231506.db2.gz RFLSOVZOPUQKOC-CTNGQTDRSA-N 2 0 346.515 3.108 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000539407564 314312420 /nfs/dbraw/zinc/31/24/20/314312420.db2.gz NKHKDRRIBVQZFQ-XLIONFOSSA-N 2 0 334.504 3.231 20 0 EGADRP C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540188055 314369305 /nfs/dbraw/zinc/36/93/05/314369305.db2.gz GJRFEZREWZSSNE-INIZCTEOSA-N 2 0 346.446 3.496 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000548860824 315056254 /nfs/dbraw/zinc/05/62/54/315056254.db2.gz WOGDEBOUGYUFFG-PMACEKPBSA-N 2 0 328.500 3.100 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000548860826 315056272 /nfs/dbraw/zinc/05/62/72/315056272.db2.gz WOGDEBOUGYUFFG-VQTJNVASSA-N 2 0 328.500 3.100 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)cc1 ZINC000550644522 315131149 /nfs/dbraw/zinc/13/11/49/315131149.db2.gz SPZDBEXWJSJKEP-UWJYYQICSA-N 2 0 346.515 3.454 20 0 EGADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552046587 315192700 /nfs/dbraw/zinc/19/27/00/315192700.db2.gz LSCQLAXDPHLJCV-DOIPELPJSA-N 2 0 330.516 3.284 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098650 315197935 /nfs/dbraw/zinc/19/79/35/315197935.db2.gz KQNYLTFASRUXID-GIVPXCGWSA-N 2 0 329.532 3.361 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214321 /nfs/dbraw/zinc/21/43/21/315214321.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000552996708 315240698 /nfs/dbraw/zinc/24/06/98/315240698.db2.gz DEIDKFFTFRFQCS-SFHVURJKSA-N 2 0 345.531 3.175 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000553512595 315267901 /nfs/dbraw/zinc/26/79/01/315267901.db2.gz FRPJESYBDQTGOE-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000555232920 315374659 /nfs/dbraw/zinc/37/46/59/315374659.db2.gz PUQVHSGVFNXXBT-JPLJXNOCSA-N 2 0 340.552 3.307 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000561044862 315736683 /nfs/dbraw/zinc/73/66/83/315736683.db2.gz HTLAPYCAUSGYKR-UHFFFAOYSA-N 2 0 344.503 3.062 20 0 EGADRP Cc1cccc(CC[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000562515861 315843711 /nfs/dbraw/zinc/84/37/11/315843711.db2.gz MYAKQYXFYWARPU-QFIPXVFZSA-N 2 0 337.511 3.116 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000562838943 315910144 /nfs/dbraw/zinc/91/01/44/315910144.db2.gz TUPCWZMZNXXFPM-AZUAARDMSA-N 2 0 341.455 3.060 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000562983847 315934537 /nfs/dbraw/zinc/93/45/37/315934537.db2.gz AFKSPXDWVVOACT-IBGZPJMESA-N 2 0 332.875 3.095 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000563892279 316087003 /nfs/dbraw/zinc/08/70/03/316087003.db2.gz ZXOUNQUBQNAGLE-UHFFFAOYSA-N 2 0 345.468 3.100 20 0 EGADRP Cc1cnc2cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccn12 ZINC000564352928 316142296 /nfs/dbraw/zinc/14/22/96/316142296.db2.gz YODBJOZPDYTVDQ-DOTOQJQBSA-N 2 0 340.471 3.026 20 0 EGADRP OCC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000564825602 316213402 /nfs/dbraw/zinc/21/34/02/316213402.db2.gz VTMOGEMCYIHFOG-IRFCIJBXSA-N 2 0 344.499 3.163 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CCCC[NH3+])cc1 ZINC000564915333 316232590 /nfs/dbraw/zinc/23/25/90/316232590.db2.gz IYUXHYLHEUEJCS-UHFFFAOYSA-N 2 0 339.483 3.160 20 0 EGADRP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000565308491 316307369 /nfs/dbraw/zinc/30/73/69/316307369.db2.gz VRDZKAWBYTYXJA-CABCVRRESA-N 2 0 329.419 3.302 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000565420905 316321697 /nfs/dbraw/zinc/32/16/97/316321697.db2.gz PENRCYCCIPMWHQ-JQHSSLGASA-N 2 0 331.504 3.140 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000565626297 316348562 /nfs/dbraw/zinc/34/85/62/316348562.db2.gz ONZSZJYPBLKAGO-INIZCTEOSA-N 2 0 336.545 3.433 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000565770157 316368001 /nfs/dbraw/zinc/36/80/01/316368001.db2.gz HHFSVZRIUWYHJP-JSGCOSHPSA-N 2 0 343.393 3.106 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000567647690 316649372 /nfs/dbraw/zinc/64/93/72/316649372.db2.gz LBJPYAMBKSTTFB-KFKAGJAMSA-N 2 0 337.467 3.136 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000569713448 316953562 /nfs/dbraw/zinc/95/35/62/316953562.db2.gz ONWSUJJKIPSIES-LJQANCHMSA-N 2 0 335.536 3.055 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000570678698 317092814 /nfs/dbraw/zinc/09/28/14/317092814.db2.gz FHVMHHVQUVOZNJ-IPMKNSEASA-N 2 0 335.536 3.009 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1CC[NH+](C)CC1 ZINC000572318412 317320612 /nfs/dbraw/zinc/32/06/12/317320612.db2.gz IITRCCPKSMBFAB-LBPRGKRZSA-N 2 0 343.284 3.451 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000572648825 317369710 /nfs/dbraw/zinc/36/97/10/317369710.db2.gz RLUYVLXCEAFYTN-HXUWFJFHSA-N 2 0 337.467 3.354 20 0 EGADRP COc1ccccc1-c1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1 ZINC000573212944 317453374 /nfs/dbraw/zinc/45/33/74/317453374.db2.gz OZLWXBQVLADGGO-UHFFFAOYSA-N 2 0 331.485 3.380 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000574072272 317558434 /nfs/dbraw/zinc/55/84/34/317558434.db2.gz TWHYSAMQZUKZDQ-FQEVSTJZSA-N 2 0 348.531 3.063 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000268440073 455682889 /nfs/dbraw/zinc/68/28/89/455682889.db2.gz RBBCTADQWQWQRW-UHFFFAOYSA-N 2 0 330.394 3.030 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000576801370 324683784 /nfs/dbraw/zinc/68/37/84/324683784.db2.gz YQVPEEFMZVDSRA-GFCCVEGCSA-N 2 0 338.293 3.369 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000576940738 324711102 /nfs/dbraw/zinc/71/11/02/324711102.db2.gz YEPZNYUBEKQIET-NLWGTHIKSA-N 2 0 345.531 3.258 20 0 EGADRP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000577708878 324851760 /nfs/dbraw/zinc/85/17/60/324851760.db2.gz BERCXBNTZJGEER-DWRORGKVSA-N 2 0 334.508 3.194 20 0 EGADRP FC(F)(F)c1cnc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000578005277 324901231 /nfs/dbraw/zinc/90/12/31/324901231.db2.gz ZQISASPVJSXGTE-FOSCPWQOSA-N 2 0 348.800 3.038 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578070500 324912827 /nfs/dbraw/zinc/91/28/27/324912827.db2.gz VPNANTIZYRGGQV-CYBMUJFWSA-N 2 0 331.847 3.306 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000578795660 325019943 /nfs/dbraw/zinc/01/99/43/325019943.db2.gz RFXXJZJBIOZRGF-IBGZPJMESA-N 2 0 329.488 3.412 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000579824601 325163758 /nfs/dbraw/zinc/16/37/58/325163758.db2.gz OBJLLUOSOWQFMX-UZLBHIALSA-N 2 0 328.500 3.309 20 0 EGADRP CC(C)n1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000580118392 325205465 /nfs/dbraw/zinc/20/54/65/325205465.db2.gz DZKWDAWGRNQUAA-PKOBYXMFSA-N 2 0 341.503 3.249 20 0 EGADRP Cn1cc(-c2ccc(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)s2)cn1 ZINC000580713877 325287764 /nfs/dbraw/zinc/28/77/64/325287764.db2.gz MYUVCNMMQUDQOS-SJORKVTESA-N 2 0 330.501 3.255 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000580773404 325294797 /nfs/dbraw/zinc/29/47/97/325294797.db2.gz MHNAEKHOFCZVGC-UHFFFAOYSA-N 2 0 335.407 3.350 20 0 EGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000581052239 325324485 /nfs/dbraw/zinc/32/44/85/325324485.db2.gz GYTVNWGJSCFYNE-SFHVURJKSA-N 2 0 335.536 3.116 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)COc3ccccc3)CC2)CC1 ZINC000581543914 325370157 /nfs/dbraw/zinc/37/01/57/325370157.db2.gz ZTTKHXGRUDFZFQ-MHJFOBGBSA-N 2 0 346.515 3.059 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000581737012 325387764 /nfs/dbraw/zinc/38/77/64/325387764.db2.gz SBGCTKNUVSXBSW-JTNHKYCSSA-N 2 0 336.785 3.252 20 0 EGADRP CC(C)Cc1ncc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000583369315 325517843 /nfs/dbraw/zinc/51/78/43/325517843.db2.gz QBEUVBZZFBVSOB-SJLPKXTDSA-N 2 0 337.533 3.060 20 0 EGADRP CCc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000157710404 455223893 /nfs/dbraw/zinc/22/38/93/455223893.db2.gz PLGGDODXQBVXKO-LJQANCHMSA-N 2 0 346.519 3.129 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2C(F)F)CC1 ZINC000361176757 457630513 /nfs/dbraw/zinc/63/05/13/457630513.db2.gz IZEXVXVGTNAZRV-UHFFFAOYSA-N 2 0 328.451 3.302 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)sc1Br ZINC000430938376 458507069 /nfs/dbraw/zinc/50/70/69/458507069.db2.gz BQJIOWQPAJVANJ-UHFFFAOYSA-N 2 0 329.307 3.395 20 0 EGADRP CC(C)N(C)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000578146915 459153244 /nfs/dbraw/zinc/15/32/44/459153244.db2.gz INZJLIAARGRTFB-CQSZACIVSA-N 2 0 325.294 3.236 20 0 EGADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180797397 455247098 /nfs/dbraw/zinc/24/70/98/455247098.db2.gz HKUWSKXRZCKGKH-UHFFFAOYSA-N 2 0 348.535 3.032 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000180812742 455249236 /nfs/dbraw/zinc/24/92/36/455249236.db2.gz HOVZTSJTOUDSLG-WBVHZDCISA-N 2 0 339.524 3.094 20 0 EGADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075022711 453853874 /nfs/dbraw/zinc/85/38/74/453853874.db2.gz VRGPGNLUTNSLJQ-YLJYHZDGSA-N 2 0 343.515 3.019 20 0 EGADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000181703462 455374392 /nfs/dbraw/zinc/37/43/92/455374392.db2.gz WAAVXWJVWXHPAD-HOTGVXAUSA-N 2 0 329.488 3.282 20 0 EGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1cccc(Cl)c1 ZINC000075834345 453929972 /nfs/dbraw/zinc/92/99/72/453929972.db2.gz ISJMWJYDFJJTHX-MRXNPFEDSA-N 2 0 349.906 3.476 20 0 EGADRP C[N@H+](CCOCC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174399039 455386912 /nfs/dbraw/zinc/38/69/12/455386912.db2.gz PMUWEHZAWABWSJ-INIZCTEOSA-N 2 0 330.394 3.019 20 0 EGADRP CCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000076331838 453989955 /nfs/dbraw/zinc/98/99/55/453989955.db2.gz OEQNDAWBBJFKBL-GOSISDBHSA-N 2 0 346.519 3.129 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000068442207 454027806 /nfs/dbraw/zinc/02/78/06/454027806.db2.gz JPSWFBYQIHWVKJ-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523257 454064222 /nfs/dbraw/zinc/06/42/22/454064222.db2.gz VZWXVPGSVQGCKR-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056522854 454064753 /nfs/dbraw/zinc/06/47/53/454064753.db2.gz MLQJTLWFNFGHDU-HNNXBMFYSA-N 2 0 349.544 3.399 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000056999170 454095100 /nfs/dbraw/zinc/09/51/00/454095100.db2.gz FPRSROGEFJSBAE-BBWFWOEESA-N 2 0 349.519 3.218 20 0 EGADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888639 454155589 /nfs/dbraw/zinc/15/55/89/454155589.db2.gz LYWBJUYDNTZMBG-KDURUIRLSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCCC[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000057912613 454156138 /nfs/dbraw/zinc/15/61/38/454156138.db2.gz CCTXFAOQIZSPGM-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555983 454162707 /nfs/dbraw/zinc/16/27/07/454162707.db2.gz FVNKEJNMRBTLAD-XJKCOSOUSA-N 2 0 348.878 3.251 20 0 EGADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130481757 454200251 /nfs/dbraw/zinc/20/02/51/454200251.db2.gz GLFJRZAONJBAKK-MOPGFXCFSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000119533805 454202416 /nfs/dbraw/zinc/20/24/16/454202416.db2.gz QAIVGVPUWSECHO-KRWDZBQOSA-N 2 0 345.531 3.216 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000130527185 454202806 /nfs/dbraw/zinc/20/28/06/454202806.db2.gz JFZVZGFECZYVRV-PXNSSMCTSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC000090028426 454264774 /nfs/dbraw/zinc/26/47/74/454264774.db2.gz VIBHVDSKFMNFEM-KRWDZBQOSA-N 2 0 343.515 3.181 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N1CC[NH+](C)CC1 ZINC000132356591 454331301 /nfs/dbraw/zinc/33/13/01/454331301.db2.gz VIIZIBAXLUKLIC-DYESRHJHSA-N 2 0 329.532 3.098 20 0 EGADRP Clc1cccc2c1CC[C@H]2[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000132454532 454340217 /nfs/dbraw/zinc/34/02/17/454340217.db2.gz JQOWMMDWYSXVLO-LJQANCHMSA-N 2 0 334.891 3.372 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)[NH+](C)C ZINC000132513166 454345381 /nfs/dbraw/zinc/34/53/81/454345381.db2.gz KIRIQYLGAMOREX-AEFFLSMTSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000096484316 454366011 /nfs/dbraw/zinc/36/60/11/454366011.db2.gz HRBXCNAGMIKIGO-PZJWPPBQSA-N 2 0 338.499 3.248 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000121048828 454384033 /nfs/dbraw/zinc/38/40/33/454384033.db2.gz OQCDLDNTXUQUDC-ZIAGYGMSSA-N 2 0 329.941 3.326 20 0 EGADRP C[N@@H+](Cc1ccc(F)c(Br)c1)CC1CC[NH+](C)CC1 ZINC000063121440 454394613 /nfs/dbraw/zinc/39/46/13/454394613.db2.gz VHAQUCNKFXVUNS-UHFFFAOYSA-N 2 0 329.257 3.362 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000121380131 454428235 /nfs/dbraw/zinc/42/82/35/454428235.db2.gz RPMOEQJTAGHROM-DLBZAZTESA-N 2 0 329.488 3.357 20 0 EGADRP CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073427008 454434727 /nfs/dbraw/zinc/43/47/27/454434727.db2.gz DEHJPDBUPFWOPL-UHFFFAOYSA-N 2 0 340.471 3.485 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000091824461 454476769 /nfs/dbraw/zinc/47/67/69/454476769.db2.gz YZKKWTDQJPHHBC-UHFFFAOYSA-N 2 0 343.515 3.384 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634979046 460639158 /nfs/dbraw/zinc/63/91/58/460639158.db2.gz UKCJOIKZCMNERE-IBGZPJMESA-N 2 0 332.451 3.242 20 0 EGADRP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000080145499 454541055 /nfs/dbraw/zinc/54/10/55/454541055.db2.gz WJIUFSJLYNAIMT-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP CC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000134553618 454559391 /nfs/dbraw/zinc/55/93/91/454559391.db2.gz ZKXDDTWBHXTQEV-VQIMIIECSA-N 2 0 349.544 3.170 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246244178 455456822 /nfs/dbraw/zinc/45/68/22/455456822.db2.gz VGHMQIZIKYNABG-HOTGVXAUSA-N 2 0 347.528 3.153 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccsc1 ZINC000104144405 454576738 /nfs/dbraw/zinc/57/67/38/454576738.db2.gz XIAQPSJFCCSVGC-SJORKVTESA-N 2 0 337.533 3.122 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000104143948 454576771 /nfs/dbraw/zinc/57/67/71/454576771.db2.gz ZQSSZIBWRLHWSX-LJQANCHMSA-N 2 0 329.488 3.485 20 0 EGADRP Nc1ccc(-c2cccc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000634990927 460642831 /nfs/dbraw/zinc/64/28/31/460642831.db2.gz IHXBYOHRSWRYEY-NHCUHLMSSA-N 2 0 336.483 3.437 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000092750097 454625241 /nfs/dbraw/zinc/62/52/41/454625241.db2.gz HOHFBOWYPNLLGI-UZLBHIALSA-N 2 0 347.547 3.382 20 0 EGADRP Nc1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000634995631 460644523 /nfs/dbraw/zinc/64/45/23/460644523.db2.gz KXSWKENZEZAKIM-UWJYYQICSA-N 2 0 336.483 3.295 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120333 454635906 /nfs/dbraw/zinc/63/59/06/454635906.db2.gz IBNIBZSJTAINGA-GOSISDBHSA-N 2 0 332.488 3.416 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)c1ccccc1 ZINC000124327935 454718913 /nfs/dbraw/zinc/71/89/13/454718913.db2.gz ITNZTCMHOKCAFW-AZUAARDMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000161797289 454724296 /nfs/dbraw/zinc/72/42/96/454724296.db2.gz XFVIFJYUOPKJOJ-QGZVFWFLSA-N 2 0 327.476 3.040 20 0 EGADRP C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000161947692 454738906 /nfs/dbraw/zinc/73/89/06/454738906.db2.gz ATPNGKRSWNQNQJ-FDPIWHGQSA-N 2 0 332.488 3.091 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635010703 460653201 /nfs/dbraw/zinc/65/32/01/460653201.db2.gz UYVGQPDGOBZTIX-NURSFMCSSA-N 2 0 336.785 3.201 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124778577 454769004 /nfs/dbraw/zinc/76/90/04/454769004.db2.gz GYPWWKSMYUJTCL-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(OCC[NH+](C)C)c1 ZINC000124910102 454781593 /nfs/dbraw/zinc/78/15/93/454781593.db2.gz HPMRWTFYHLJKHV-GEALJGNFSA-N 2 0 332.488 3.235 20 0 EGADRP CCc1cc(N2CCC([N@H+](C)CCCO)CC2)c2ccccc2[nH+]1 ZINC000125205546 454804365 /nfs/dbraw/zinc/80/43/65/454804365.db2.gz BWGUVHLEGHLPKN-UHFFFAOYSA-N 2 0 327.472 3.080 20 0 EGADRP CCCc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000125553458 454830917 /nfs/dbraw/zinc/83/09/17/454830917.db2.gz STNKGHHINBLWTQ-QGZVFWFLSA-N 2 0 339.483 3.346 20 0 EGADRP COCC[N@H+](C)CCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000153787910 454832868 /nfs/dbraw/zinc/83/28/68/454832868.db2.gz LGXOAKNAMRYJDW-HNNXBMFYSA-N 2 0 333.501 3.429 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000110821666 454853929 /nfs/dbraw/zinc/85/39/29/454853929.db2.gz ZHTYWTJDUVSKFH-CXAGYDPISA-N 2 0 349.316 3.380 20 0 EGADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000177426636 454863419 /nfs/dbraw/zinc/86/34/19/454863419.db2.gz VFXUMMAPNKKEKF-ROUUACIJSA-N 2 0 345.531 3.406 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177443362 454864188 /nfs/dbraw/zinc/86/41/88/454864188.db2.gz YJMZKRTYLQWBLM-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154408735 454894033 /nfs/dbraw/zinc/89/40/33/454894033.db2.gz HHXWMHOXYUUFTL-GOSISDBHSA-N 2 0 333.520 3.152 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Cl)s1 ZINC000154429245 454895394 /nfs/dbraw/zinc/89/53/94/454895394.db2.gz KRCZGGPBBWNLNP-AWEZNQCLSA-N 2 0 329.941 3.470 20 0 EGADRP Cc1ccc2c(CN3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1C ZINC000150811977 454895657 /nfs/dbraw/zinc/89/56/57/454895657.db2.gz UYSNRSYBFDWDJW-QGZVFWFLSA-N 2 0 340.467 3.328 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000177838023 454911855 /nfs/dbraw/zinc/91/18/55/454911855.db2.gz FILFSDYBMQZJOK-IIDMSEBBSA-N 2 0 341.455 3.350 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150950217 454917423 /nfs/dbraw/zinc/91/74/23/454917423.db2.gz FKQZDMDLBHNNIC-QRWLVFNGSA-N 2 0 333.495 3.065 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000154840997 454935247 /nfs/dbraw/zinc/93/52/47/454935247.db2.gz FGLJMFGZZARGPQ-QMMLZNLJSA-N 2 0 345.531 3.152 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000154860943 454937145 /nfs/dbraw/zinc/93/71/45/454937145.db2.gz ZYWLQXPVCAWIEY-UHFFFAOYSA-N 2 0 339.474 3.346 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000114455424 454954964 /nfs/dbraw/zinc/95/49/64/454954964.db2.gz WATYPOKFHRUGKL-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](CC1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000178969985 454994149 /nfs/dbraw/zinc/99/41/49/454994149.db2.gz XPIGATFWFNKCDN-UHFFFAOYSA-N 2 0 343.515 3.003 20 0 EGADRP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000267094919 455500828 /nfs/dbraw/zinc/50/08/28/455500828.db2.gz XYMRWZXQHQRBNT-NRFANRHFSA-N 2 0 340.442 3.435 20 0 EGADRP Fc1ccc(CCN2CCC([NH2+]CCc3nccs3)CC2)cc1 ZINC000127901454 455007458 /nfs/dbraw/zinc/00/74/58/455007458.db2.gz GQARDADLILQABG-UHFFFAOYSA-N 2 0 333.476 3.121 20 0 EGADRP CC[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCC1 ZINC000151673113 455015451 /nfs/dbraw/zinc/01/54/51/455015451.db2.gz VSUYPOUTOIEHEE-PKOBYXMFSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000155596619 455021301 /nfs/dbraw/zinc/02/13/01/455021301.db2.gz NGQBWFQTADCBSY-LSDHHAIUSA-N 2 0 338.565 3.252 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000155679838 455031232 /nfs/dbraw/zinc/03/12/32/455031232.db2.gz LWUYPYGPVQBWLE-APWZRJJASA-N 2 0 331.504 3.052 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000128476947 455060274 /nfs/dbraw/zinc/06/02/74/455060274.db2.gz YOIPARPFXBPMRF-LJQANCHMSA-N 2 0 343.515 3.050 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000600965637 460659399 /nfs/dbraw/zinc/65/93/99/460659399.db2.gz RCKPOLTZXJZZRV-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C(C)C)cc1 ZINC000128635955 455073300 /nfs/dbraw/zinc/07/33/00/455073300.db2.gz SHFMFDSYQLSLGW-NRFANRHFSA-N 2 0 331.548 3.179 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1)C1CC1 ZINC000152159537 455079912 /nfs/dbraw/zinc/07/99/12/455079912.db2.gz QXOPGYZKOQUQGT-FQEVSTJZSA-N 2 0 337.467 3.101 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000156929429 455157232 /nfs/dbraw/zinc/15/72/32/455157232.db2.gz ALVZZKYOLXPTLD-HNAYVOBHSA-N 2 0 348.512 3.247 20 0 EGADRP C[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000180437906 455169768 /nfs/dbraw/zinc/16/97/68/455169768.db2.gz PXRIIAZJGOWZKV-LJQANCHMSA-N 2 0 337.511 3.249 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237364095 455177502 /nfs/dbraw/zinc/17/75/02/455177502.db2.gz WBPAEWKQYYIKQJ-HKUYNNGSSA-N 2 0 343.515 3.289 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237548300 455193981 /nfs/dbraw/zinc/19/39/81/455193981.db2.gz PBIOFDMTLNCJEG-QWFCFKBJSA-N 2 0 345.531 3.341 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237564357 455195489 /nfs/dbraw/zinc/19/54/89/455195489.db2.gz CENOIXQGBWWDSP-MJGOQNOKSA-N 2 0 343.515 3.160 20 0 EGADRP Fc1ccc(F)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182972331 455202081 /nfs/dbraw/zinc/20/20/81/455202081.db2.gz HGRGHEROAQEBBJ-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157587735 455210557 /nfs/dbraw/zinc/21/05/57/455210557.db2.gz HYYRKSRJOFHNSS-YWZLYKJASA-N 2 0 346.446 3.150 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000173385273 455277726 /nfs/dbraw/zinc/27/77/26/455277726.db2.gz SUSNXAVNNCRFCO-IRXDYDNUSA-N 2 0 335.561 3.333 20 0 EGADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000245478964 455310566 /nfs/dbraw/zinc/31/05/66/455310566.db2.gz VYZDIIVUVNZLDJ-QZTJIDSGSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158579038 455313707 /nfs/dbraw/zinc/31/37/07/455313707.db2.gz PHTDLBFTNSHXSK-HOTGVXAUSA-N 2 0 331.495 3.064 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000245572407 455332469 /nfs/dbraw/zinc/33/24/69/455332469.db2.gz CIDGISHJSOOYEI-LISAXSMJSA-N 2 0 334.504 3.201 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245721942 455363813 /nfs/dbraw/zinc/36/38/13/455363813.db2.gz UVWVDUPHZSHFLS-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246015943 455414833 /nfs/dbraw/zinc/41/48/33/455414833.db2.gz LRWVADXGZRXOJC-QZTJIDSGSA-N 2 0 337.552 3.218 20 0 EGADRP O=C(CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000182279716 455479375 /nfs/dbraw/zinc/47/93/75/455479375.db2.gz WCSHBJSBKMKOQA-RBUKOAKNSA-N 2 0 330.472 3.117 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)[C@@H](C)C1 ZINC000246466064 455494377 /nfs/dbraw/zinc/49/43/77/455494377.db2.gz QEGBJAZHRKMEHS-LSDHHAIUSA-N 2 0 330.501 3.068 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246879817 455533574 /nfs/dbraw/zinc/53/35/74/455533574.db2.gz GPGNCJDJTFEZJF-IKGGRYGDSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182538672 455535736 /nfs/dbraw/zinc/53/57/36/455535736.db2.gz PACGVGFWPBHSDR-UHFFFAOYSA-N 2 0 335.495 3.372 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000267401130 455549866 /nfs/dbraw/zinc/54/98/66/455549866.db2.gz ZPVDKTAPNYWCLZ-YJBOKZPZSA-N 2 0 349.544 3.122 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555197 /nfs/dbraw/zinc/55/51/97/455555197.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 2 0 329.532 3.491 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247110057 455560473 /nfs/dbraw/zinc/56/04/73/455560473.db2.gz SZYAFEFTXKDPKB-SFHLNBCPSA-N 2 0 344.547 3.002 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000247124334 455563463 /nfs/dbraw/zinc/56/34/63/455563463.db2.gz DTHSVPKVSAVVJW-LMCOJAPRSA-N 2 0 346.540 3.151 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182687443 455568433 /nfs/dbraw/zinc/56/84/33/455568433.db2.gz SSQOXPQFCZPYIN-INIZCTEOSA-N 2 0 327.513 3.098 20 0 EGADRP CC(C)CN(C(=O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185671712 455592932 /nfs/dbraw/zinc/59/29/32/455592932.db2.gz FNZYPDPJQREHHI-MSOLQXFVSA-N 2 0 337.552 3.122 20 0 EGADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000271334711 455602211 /nfs/dbraw/zinc/60/22/11/455602211.db2.gz BLCNAYCXNHLCHQ-KRWDZBQOSA-N 2 0 339.483 3.198 20 0 EGADRP COC(=O)C1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000192440745 455617195 /nfs/dbraw/zinc/61/71/95/455617195.db2.gz PIYVVMMWPYFCNW-UHFFFAOYSA-N 2 0 332.488 3.348 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271432561 455634413 /nfs/dbraw/zinc/63/44/13/455634413.db2.gz BEAJQFNZAURFMO-ALGWMNEGSA-N 2 0 346.515 3.155 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000185876763 455640697 /nfs/dbraw/zinc/64/06/97/455640697.db2.gz VFKYCCHDNVWZKM-OAHLLOKOSA-N 2 0 346.906 3.004 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000185890645 455644642 /nfs/dbraw/zinc/64/46/42/455644642.db2.gz MFAAQTPCAUXASU-UHFFFAOYSA-N 2 0 331.548 3.490 20 0 EGADRP CCCC[C@H](CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247942507 455657816 /nfs/dbraw/zinc/65/78/16/455657816.db2.gz DDBVYIOECOXSGF-UXHICEINSA-N 2 0 345.531 3.442 20 0 EGADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000247942509 455658166 /nfs/dbraw/zinc/65/81/66/455658166.db2.gz GMVRWVITUPEGGL-OCCSQVGLSA-N 2 0 328.403 3.432 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccccc2OC)[C@@H](C)C1 ZINC000248025876 455671730 /nfs/dbraw/zinc/67/17/30/455671730.db2.gz PANYCWBUDIPUEX-LNLFQRSKSA-N 2 0 334.504 3.483 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000192740741 455682925 /nfs/dbraw/zinc/68/29/25/455682925.db2.gz XDGMTYFYBKYLPQ-UHFFFAOYSA-N 2 0 337.939 3.230 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271555453 455683868 /nfs/dbraw/zinc/68/38/68/455683868.db2.gz WPVYSOOVAGCJFN-IJEWVQPXSA-N 2 0 330.501 3.066 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000268444077 455684827 /nfs/dbraw/zinc/68/48/27/455684827.db2.gz SWIZCRLFZCOCTF-UHFFFAOYSA-N 2 0 348.459 3.060 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)(C)c1ccccc1 ZINC000271571796 455687698 /nfs/dbraw/zinc/68/76/98/455687698.db2.gz YTWHKVDWEQRDMP-DBVUQKKJSA-N 2 0 330.516 3.320 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1F ZINC000248146142 455687924 /nfs/dbraw/zinc/68/79/24/455687924.db2.gz QFJPXBOISKYSJL-ZBFHGGJFSA-N 2 0 340.508 3.435 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248168618 455692882 /nfs/dbraw/zinc/69/28/82/455692882.db2.gz UGWUOKRCPXCSPL-MJGOQNOKSA-N 2 0 334.504 3.361 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248179715 455695959 /nfs/dbraw/zinc/69/59/59/455695959.db2.gz WESYGGOQZNJSMR-MPGHIAIKSA-N 2 0 347.528 3.152 20 0 EGADRP CSC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000292562335 455697407 /nfs/dbraw/zinc/69/74/07/455697407.db2.gz ZKPQUKXKQIFVHB-IAGOWNOFSA-N 2 0 347.528 3.089 20 0 EGADRP CSC[C@H]1CCC[N@H+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000292562337 455697875 /nfs/dbraw/zinc/69/78/75/455697875.db2.gz ZKPQUKXKQIFVHB-IRXDYDNUSA-N 2 0 347.528 3.089 20 0 EGADRP CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000248214959 455698015 /nfs/dbraw/zinc/69/80/15/455698015.db2.gz ZLWUBQNEENBAHX-IEBWSBKVSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268883281 455716889 /nfs/dbraw/zinc/71/68/89/455716889.db2.gz BEYNGPXLVMJTKI-ZWKOTPCHSA-N 2 0 336.520 3.322 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000268884635 455718586 /nfs/dbraw/zinc/71/85/86/455718586.db2.gz IGVOAXAKVJRISS-FUHWJXTLSA-N 2 0 327.472 3.122 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000268921654 455731399 /nfs/dbraw/zinc/73/13/99/455731399.db2.gz SWFNNJSWGNONLB-UHFFFAOYSA-N 2 0 347.503 3.219 20 0 EGADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000271751333 455746263 /nfs/dbraw/zinc/74/62/63/455746263.db2.gz RSOGCGNRGSAZQK-MRXNPFEDSA-N 2 0 344.421 3.449 20 0 EGADRP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268992475 455756350 /nfs/dbraw/zinc/75/63/50/455756350.db2.gz MTHXOBYGZPUNSO-SFHVURJKSA-N 2 0 338.923 3.344 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000268995298 455757700 /nfs/dbraw/zinc/75/77/00/455757700.db2.gz XMSQVGMNBBNYQQ-UXHICEINSA-N 2 0 327.472 3.025 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000269024952 455766741 /nfs/dbraw/zinc/76/67/41/455766741.db2.gz REBKNTLXHLPZRR-REHHDOPLSA-N 2 0 327.516 3.112 20 0 EGADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000194018505 455792261 /nfs/dbraw/zinc/79/22/61/455792261.db2.gz BKDSTCHPAKNSSV-BZSNNMDCSA-N 2 0 345.531 3.311 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(Br)c1 ZINC000271872508 455794456 /nfs/dbraw/zinc/79/44/56/455794456.db2.gz NCMQRKDBHPORDP-LBPRGKRZSA-N 2 0 339.277 3.370 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000269132832 455796089 /nfs/dbraw/zinc/79/60/89/455796089.db2.gz MQBAMVLMEVNKRK-FQEVSTJZSA-N 2 0 337.467 3.399 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000271878941 455796488 /nfs/dbraw/zinc/79/64/88/455796488.db2.gz OWQSASUMYNEJOP-INIZCTEOSA-N 2 0 326.362 3.424 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cncc(Br)c2)C1 ZINC000186590830 455801316 /nfs/dbraw/zinc/80/13/16/455801316.db2.gz RSSVTFPADOZPHU-AWEZNQCLSA-N 2 0 340.309 3.446 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186604814 455804562 /nfs/dbraw/zinc/80/45/62/455804562.db2.gz RZNQJBALNMCZLI-MSOLQXFVSA-N 2 0 333.520 3.150 20 0 EGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000186727930 455828288 /nfs/dbraw/zinc/82/82/88/455828288.db2.gz SYENCSKPYDWMAL-KRWDZBQOSA-N 2 0 328.859 3.176 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)(C)n2cncn2)c1 ZINC000285386490 455835008 /nfs/dbraw/zinc/83/50/08/455835008.db2.gz WPBVHGRHIGQMFY-MRXNPFEDSA-N 2 0 329.492 3.032 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C)c1 ZINC000285597874 455878586 /nfs/dbraw/zinc/87/85/86/455878586.db2.gz JPQURFWRDFEKFX-FQEVSTJZSA-N 2 0 338.499 3.383 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1OC ZINC000285604275 455880751 /nfs/dbraw/zinc/88/07/51/455880751.db2.gz JWQQSJCEMBCMMU-ZBFHGGJFSA-N 2 0 332.488 3.017 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000285705776 455900576 /nfs/dbraw/zinc/90/05/76/455900576.db2.gz PHGURUUZJPXIRP-HOTGVXAUSA-N 2 0 345.487 3.323 20 0 EGADRP C[NH+](C)C1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000272305485 455908148 /nfs/dbraw/zinc/90/81/48/455908148.db2.gz DXOHHQXCESDGNZ-UHFFFAOYSA-N 2 0 344.503 3.229 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000261605442 455911140 /nfs/dbraw/zinc/91/11/40/455911140.db2.gz CNDZGUWMBPKXCY-FGTMMUONSA-N 2 0 332.488 3.147 20 0 EGADRP C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385153 455933919 /nfs/dbraw/zinc/93/39/19/455933919.db2.gz WYYJGJMCYBIQGY-GHTZIAJQSA-N 2 0 341.543 3.361 20 0 EGADRP CCC(CC)(CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000261741938 455938978 /nfs/dbraw/zinc/93/89/78/455938978.db2.gz GQLZCTJYFOERQJ-ZWKOTPCHSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187756422 455948524 /nfs/dbraw/zinc/94/85/24/455948524.db2.gz FDDVVAIZSRKZII-HHARLNAUSA-N 2 0 339.524 3.093 20 0 EGADRP C[N@H+](CCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)Cc1ccccc1 ZINC000187817946 455956943 /nfs/dbraw/zinc/95/69/43/455956943.db2.gz YKNCDVCOIHYKLE-LJQANCHMSA-N 2 0 338.430 3.360 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1Cl ZINC000195448844 455962674 /nfs/dbraw/zinc/96/26/74/455962674.db2.gz SGDAFDUMYZCOQC-UHFFFAOYSA-N 2 0 333.863 3.274 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000272509709 455975953 /nfs/dbraw/zinc/97/59/53/455975953.db2.gz FZXJVZXBFFOKKL-QGZVFWFLSA-N 2 0 326.488 3.314 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000195526832 455980018 /nfs/dbraw/zinc/98/00/18/455980018.db2.gz ZCVHOYCBWXYCMF-KURKYZTESA-N 2 0 343.515 3.160 20 0 EGADRP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000262022041 455986022 /nfs/dbraw/zinc/98/60/22/455986022.db2.gz WGTJXDKTYIMMQF-DFQSSKMNSA-N 2 0 336.483 3.409 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262026910 455986903 /nfs/dbraw/zinc/98/69/03/455986903.db2.gz ZUYFINFTAIQBSK-QRBPQYNOSA-N 2 0 343.515 3.080 20 0 EGADRP Cc1noc(C)c1CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272559492 455993994 /nfs/dbraw/zinc/99/39/94/455993994.db2.gz UGFKTQUEBDTLSS-KXBFYZLASA-N 2 0 327.472 3.334 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000188110333 455999704 /nfs/dbraw/zinc/99/97/04/455999704.db2.gz LSUNMEBIRRUANY-MJGOQNOKSA-N 2 0 346.515 3.276 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262121214 456001309 /nfs/dbraw/zinc/00/13/09/456001309.db2.gz KCIFVQBRUIHUER-AZUAARDMSA-N 2 0 331.504 3.093 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CCC2)c1 ZINC000262173102 456007101 /nfs/dbraw/zinc/00/71/01/456007101.db2.gz VKWCLSDSYHEVSD-DFQSSKMNSA-N 2 0 344.499 3.051 20 0 EGADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623756862 460707079 /nfs/dbraw/zinc/70/70/79/460707079.db2.gz IFCOJHQICUSHHH-OWCLPIDISA-N 2 0 337.870 3.274 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000286299349 456019153 /nfs/dbraw/zinc/01/91/53/456019153.db2.gz WOZLGXGQHYGNLS-BURNTYAHSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262303063 456022745 /nfs/dbraw/zinc/02/27/45/456022745.db2.gz QUFCQZJSJOAQOL-NJAFHUGGSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000262304135 456023049 /nfs/dbraw/zinc/02/30/49/456023049.db2.gz QYWNGIRARDUGMZ-LSTHTHJFSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1C[C@H](N2CCOCC2)CN1c1ccnc2c(Cl)cccc12 ZINC000286385752 456036926 /nfs/dbraw/zinc/03/69/26/456036926.db2.gz OSGGSGHNXZTNET-KGLIPLIRSA-N 2 0 331.847 3.188 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000262614821 456046590 /nfs/dbraw/zinc/04/65/90/456046590.db2.gz CMJBEDDAZUCVME-PXNSSMCTSA-N 2 0 339.483 3.022 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000296864193 456056212 /nfs/dbraw/zinc/05/62/12/456056212.db2.gz DLKYXPDMJPUAID-UHFFFAOYSA-N 2 0 337.467 3.257 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)c1 ZINC000280811313 456056526 /nfs/dbraw/zinc/05/65/26/456056526.db2.gz IBMARAWFSMOIAG-AYOQOUSVSA-N 2 0 332.488 3.206 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000280816900 456058607 /nfs/dbraw/zinc/05/86/07/456058607.db2.gz INNRVRQJYUSORI-UHFFFAOYSA-N 2 0 345.314 3.362 20 0 EGADRP Cc1ccc(CC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270959439 456077281 /nfs/dbraw/zinc/07/72/81/456077281.db2.gz UVIGRGZZORZRIC-UHFFFAOYSA-N 2 0 329.532 3.028 20 0 EGADRP C[C@H]([NH2+]CCOc1ncccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272810959 456077392 /nfs/dbraw/zinc/07/73/92/456077392.db2.gz NKKNEMPTJJWKDS-WMZOPIPTSA-N 2 0 343.446 3.100 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000271004431 456093632 /nfs/dbraw/zinc/09/36/32/456093632.db2.gz ZEOLEOWIEDSLAA-UHFFFAOYSA-N 2 0 329.532 3.110 20 0 EGADRP CCNC(=O)C(C)(C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000280990198 456103594 /nfs/dbraw/zinc/10/35/94/456103594.db2.gz LWAQJWRBCPRVIG-UHFFFAOYSA-N 2 0 345.531 3.182 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000272955526 456123603 /nfs/dbraw/zinc/12/36/03/456123603.db2.gz QXXWCQHZKPCCEI-MRXNPFEDSA-N 2 0 343.471 3.190 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)cc1)C(C)C ZINC000272961773 456125935 /nfs/dbraw/zinc/12/59/35/456125935.db2.gz NPSZFEDSKXSTDK-QGZVFWFLSA-N 2 0 343.515 3.297 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000236630801 456161299 /nfs/dbraw/zinc/16/12/99/456161299.db2.gz UEIBBWJWCUYMBL-OAQYLSRUSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2C1 ZINC000236721748 456174416 /nfs/dbraw/zinc/17/44/16/456174416.db2.gz DVTMFZXVSPAZPD-GOSISDBHSA-N 2 0 341.499 3.377 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236774520 456181443 /nfs/dbraw/zinc/18/14/43/456181443.db2.gz KGLRAIJRCDFNIB-LJQANCHMSA-N 2 0 331.504 3.196 20 0 EGADRP CCC[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000236884616 456195660 /nfs/dbraw/zinc/19/56/60/456195660.db2.gz YDERAZYBDPURMR-FQEVSTJZSA-N 2 0 339.483 3.159 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189040458 456208075 /nfs/dbraw/zinc/20/80/75/456208075.db2.gz RCTPGIVXAOEDOJ-FCHUYYIVSA-N 2 0 343.559 3.405 20 0 EGADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236972262 456211717 /nfs/dbraw/zinc/21/17/17/456211717.db2.gz FZZJNUHSKKGQKT-OAQYLSRUSA-N 2 0 329.532 3.363 20 0 EGADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000236990877 456215319 /nfs/dbraw/zinc/21/53/19/456215319.db2.gz WIEIZPIQIVOPBK-VQIMIIECSA-N 2 0 331.504 3.052 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000237062205 456226289 /nfs/dbraw/zinc/22/62/89/456226289.db2.gz YACWLSNJZKHLPS-XYJFISCASA-N 2 0 331.504 3.140 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC1CC[NH+](C)CC1 ZINC000237167992 456241466 /nfs/dbraw/zinc/24/14/66/456241466.db2.gz SIQPNPHVKGGXII-UHFFFAOYSA-N 2 0 332.879 3.326 20 0 EGADRP Cn1cncc1CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000290137416 456249854 /nfs/dbraw/zinc/24/98/54/456249854.db2.gz VMUCFXXIDPNPER-UHFFFAOYSA-N 2 0 338.430 3.242 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCCc2nc3ccccc3n2C)[C@@H]1SC ZINC000297609224 456262602 /nfs/dbraw/zinc/26/26/02/456262602.db2.gz KNASSGQHAVWEGX-LESCRADOSA-N 2 0 333.501 3.005 20 0 EGADRP COc1ncccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000290245577 456273730 /nfs/dbraw/zinc/27/37/30/456273730.db2.gz SXOFXKUAGNGCBK-PXNSSMCTSA-N 2 0 339.483 3.133 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000302040345 456274312 /nfs/dbraw/zinc/27/43/12/456274312.db2.gz NKGMNXTZKDYRDR-QGZVFWFLSA-N 2 0 339.483 3.264 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[NH+](CC2CCC2)CC1 ZINC000347660778 456288397 /nfs/dbraw/zinc/28/83/97/456288397.db2.gz YGNXQUDTBCFKIY-FQEVSTJZSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000275815850 456321367 /nfs/dbraw/zinc/32/13/67/456321367.db2.gz FQOGYKSILQMGAR-QUCCMNQESA-N 2 0 341.503 3.039 20 0 EGADRP Cn1cncc1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000297997068 456339909 /nfs/dbraw/zinc/33/99/09/456339909.db2.gz ZGHVXJJRXCRZSX-ICSRJNTNSA-N 2 0 327.472 3.331 20 0 EGADRP CSc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000352824400 456340580 /nfs/dbraw/zinc/34/05/80/456340580.db2.gz QDBRXBYUAGRDJF-KBPBESRZSA-N 2 0 328.547 3.449 20 0 EGADRP CCc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000302507668 456350612 /nfs/dbraw/zinc/35/06/12/456350612.db2.gz RFXBDOAUQGPXPO-HNNXBMFYSA-N 2 0 327.472 3.079 20 0 EGADRP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000352847556 456360435 /nfs/dbraw/zinc/36/04/35/456360435.db2.gz VCFVOFPCRMPBTJ-UHFFFAOYSA-N 2 0 328.287 3.411 20 0 EGADRP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000298144460 456374272 /nfs/dbraw/zinc/37/42/72/456374272.db2.gz QZXXGPCDMVDYOE-GHTZIAJQSA-N 2 0 327.516 3.067 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340350024 456406251 /nfs/dbraw/zinc/40/62/51/456406251.db2.gz KUYSLCWUGSEWKG-VQTJNVASSA-N 2 0 328.500 3.456 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCCC2)ncn1 ZINC000302862135 456419232 /nfs/dbraw/zinc/41/92/32/456419232.db2.gz VXAVOPLTMJSMQZ-FUHWJXTLSA-N 2 0 337.471 3.009 20 0 EGADRP Cc1ncc2n1CC[C@H](C(=O)Nc1ccc(CN(C)C)c(Cl)c1)C2 ZINC000290847416 456445569 /nfs/dbraw/zinc/44/55/69/456445569.db2.gz JKJQQORBLABUSR-ZDUSSCGKSA-N 2 0 346.862 3.108 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000298472310 456466419 /nfs/dbraw/zinc/46/64/19/456466419.db2.gz DMRHHMZJFNKHKS-UHFFFAOYSA-N 2 0 345.531 3.473 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290928101 456470122 /nfs/dbraw/zinc/47/01/22/456470122.db2.gz ROKBKELLBLCFCP-MRXNPFEDSA-N 2 0 349.482 3.480 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)cc1 ZINC000340472164 456479495 /nfs/dbraw/zinc/47/94/95/456479495.db2.gz COUWWGNOTYKXEF-FXAWDEMLSA-N 2 0 334.504 3.454 20 0 EGADRP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000340490689 456489451 /nfs/dbraw/zinc/48/94/51/456489451.db2.gz OSYODIIBJOIFOG-ROUUACIJSA-N 2 0 345.531 3.455 20 0 EGADRP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000340494571 456491559 /nfs/dbraw/zinc/49/15/59/456491559.db2.gz FGDHCKPSUFWKLR-QZTJIDSGSA-N 2 0 345.531 3.313 20 0 EGADRP CC(C)c1nnc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000291176346 456554990 /nfs/dbraw/zinc/55/49/90/456554990.db2.gz NVDUUNCXFMIFMX-INIZCTEOSA-N 2 0 341.503 3.286 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353201691 456555412 /nfs/dbraw/zinc/55/54/12/456555412.db2.gz HRYLXGXCKHACIS-FPOVZHCZSA-N 2 0 343.515 3.019 20 0 EGADRP CSC1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH+](C)CC1 ZINC000353204851 456559026 /nfs/dbraw/zinc/55/90/26/456559026.db2.gz DJHBPRWROHNBJB-UHFFFAOYSA-N 2 0 347.572 3.068 20 0 EGADRP COCc1ccccc1/C=C(\C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000353208479 456560156 /nfs/dbraw/zinc/56/01/56/456560156.db2.gz XCQYSOMTNDOJTB-ZSFFSCSXSA-N 2 0 346.515 3.327 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291228953 456572706 /nfs/dbraw/zinc/57/27/06/456572706.db2.gz MEFOBTWKFREARJ-KRWDZBQOSA-N 2 0 344.503 3.133 20 0 EGADRP C[C@H]([NH2+]CCCOCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310474103 456583327 /nfs/dbraw/zinc/58/33/27/456583327.db2.gz CEPJDEVYIBUTHU-DOTOQJQBSA-N 2 0 344.421 3.456 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)s2)cn1 ZINC000282744838 456611721 /nfs/dbraw/zinc/61/17/21/456611721.db2.gz GFRAOYYPOMVJBG-YOEHRIQHSA-N 2 0 330.501 3.065 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323770608 456655550 /nfs/dbraw/zinc/65/55/50/456655550.db2.gz ZIHFTTNWWURHMJ-FQEVSTJZSA-N 2 0 343.515 3.019 20 0 EGADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000325868425 456687761 /nfs/dbraw/zinc/68/77/61/456687761.db2.gz KLKYGHBRLPJISO-XUVXKRRUSA-N 2 0 327.516 3.340 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000353457547 456700552 /nfs/dbraw/zinc/70/05/52/456700552.db2.gz HEOLELUDSXFEMX-ULQDDVLXSA-N 2 0 349.544 3.025 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000353490435 456710933 /nfs/dbraw/zinc/71/09/33/456710933.db2.gz QQECYHOEHPRFEO-QAPCUYQASA-N 2 0 332.467 3.359 20 0 EGADRP Cc1ccc(CN(C)CC(O)C[N@H+](C)Cc2ccc(C)cc2)cc1 ZINC000353501633 456718954 /nfs/dbraw/zinc/71/89/54/456718954.db2.gz NALWMUQZTMQUBE-UHFFFAOYSA-N 2 0 326.484 3.228 20 0 EGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000353513038 456725923 /nfs/dbraw/zinc/72/59/23/456725923.db2.gz DTHYOHKGAPILSE-YJBOKZPZSA-N 2 0 329.492 3.284 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353516562 456729678 /nfs/dbraw/zinc/72/96/78/456729678.db2.gz BIEUGLPFJADJJP-LAUBAEHRSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccccc1-n1ccnn1)C(C)C ZINC000353525318 456737353 /nfs/dbraw/zinc/73/73/53/456737353.db2.gz YEGYKHMGQWPDHX-KRWDZBQOSA-N 2 0 329.492 3.427 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC000277279414 456757950 /nfs/dbraw/zinc/75/79/50/456757950.db2.gz SKLJJXAGDPFGCK-AEFFLSMTSA-N 2 0 334.504 3.432 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(Br)c2cccnc12)C[NH+](C)C ZINC000291801673 456763129 /nfs/dbraw/zinc/76/31/29/456763129.db2.gz XGILKLIYBVTVPK-LBPRGKRZSA-N 2 0 336.277 3.285 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338434585 456817350 /nfs/dbraw/zinc/81/73/50/456817350.db2.gz JDAMESZXMZHONQ-QGZVFWFLSA-N 2 0 326.488 3.217 20 0 EGADRP Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000344870323 456868880 /nfs/dbraw/zinc/86/88/80/456868880.db2.gz HZYMEZUQVZZUPW-VQIMIIECSA-N 2 0 344.503 3.223 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000292178407 456876840 /nfs/dbraw/zinc/87/68/40/456876840.db2.gz WQGYAFPOWVSDDE-SFHVURJKSA-N 2 0 329.488 3.389 20 0 EGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000341677094 456895675 /nfs/dbraw/zinc/89/56/75/456895675.db2.gz NQXONSCUDQPJGX-UHFFFAOYSA-N 2 0 328.460 3.109 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc([C@H]4CCCO4)s3)C2)CC1 ZINC000349194235 456909745 /nfs/dbraw/zinc/90/97/45/456909745.db2.gz RRKHTGPNOAIDPI-NVXWUHKLSA-N 2 0 335.517 3.158 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCN1Cc1ccccc1)CC(C)C ZINC000345679570 456987775 /nfs/dbraw/zinc/98/77/75/456987775.db2.gz CUMYWDZMICVKQY-UXHICEINSA-N 2 0 345.531 3.134 20 0 EGADRP Fc1ccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477548 457046218 /nfs/dbraw/zinc/04/62/18/457046218.db2.gz DLHJLLLALVHSKB-FOIQADDNSA-N 2 0 325.431 3.384 20 0 EGADRP CC(C)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC000359117652 457058505 /nfs/dbraw/zinc/05/85/05/457058505.db2.gz SMKFMEWTCYGRJH-INIZCTEOSA-N 2 0 335.458 3.113 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000354097927 457060916 /nfs/dbraw/zinc/06/09/16/457060916.db2.gz SZUXFHDGQJBMKZ-LJQANCHMSA-N 2 0 327.472 3.168 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000346658361 457097218 /nfs/dbraw/zinc/09/72/18/457097218.db2.gz UMWDPURWOAXDQI-UHFFFAOYSA-N 2 0 337.514 3.201 20 0 EGADRP CC(C)C[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000354170784 457107054 /nfs/dbraw/zinc/10/70/54/457107054.db2.gz CTGZWRJEGBODTI-JENIJYKNSA-N 2 0 348.535 3.001 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000342140135 457131471 /nfs/dbraw/zinc/13/14/71/457131471.db2.gz NWXWWUDIVMZYQA-APHBMKBZSA-N 2 0 344.377 3.023 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]21 ZINC000342141408 457132972 /nfs/dbraw/zinc/13/29/72/457132972.db2.gz POYXPOHXZPTPPZ-IOMROCGXSA-N 2 0 337.467 3.220 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219773 457138025 /nfs/dbraw/zinc/13/80/25/457138025.db2.gz DICVXNTWQPQUMK-QZTJIDSGSA-N 2 0 331.504 3.355 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000342160645 457142602 /nfs/dbraw/zinc/14/26/02/457142602.db2.gz AZCAAODBBQVKTB-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[NH+]1CCCCC1 ZINC000354281164 457170805 /nfs/dbraw/zinc/17/08/05/457170805.db2.gz JJOPMEJXAZAWTF-MOPGFXCFSA-N 2 0 349.494 3.055 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000356876445 457192272 /nfs/dbraw/zinc/19/22/72/457192272.db2.gz RNCDNBONWZKWRF-HKUYNNGSSA-N 2 0 334.504 3.312 20 0 EGADRP Cc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000356878937 457193362 /nfs/dbraw/zinc/19/33/62/457193362.db2.gz NCNIYLQBASRKFO-UHFFFAOYSA-N 2 0 341.474 3.042 20 0 EGADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000363020856 457199094 /nfs/dbraw/zinc/19/90/94/457199094.db2.gz WNZAGVNAZBOSRT-PMACEKPBSA-N 2 0 341.499 3.029 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000363020857 457199553 /nfs/dbraw/zinc/19/95/53/457199553.db2.gz WNZAGVNAZBOSRT-UXHICEINSA-N 2 0 341.499 3.029 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000339679318 457208654 /nfs/dbraw/zinc/20/86/54/457208654.db2.gz BJGPNOZDZRNRSW-WBVHZDCISA-N 2 0 349.544 3.037 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC000339690448 457215285 /nfs/dbraw/zinc/21/52/85/457215285.db2.gz DNBRTYVJGWGLPD-SCTDSRPQSA-N 2 0 345.531 3.162 20 0 EGADRP COC[C@@H](CC(C)C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000360056103 457229551 /nfs/dbraw/zinc/22/95/51/457229551.db2.gz QKRZPHMIAJODOC-RTWAWAEBSA-N 2 0 347.547 3.016 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000347106964 457232292 /nfs/dbraw/zinc/23/22/92/457232292.db2.gz OAAKGAAXLIANHA-ZDUSSCGKSA-N 2 0 332.879 3.300 20 0 EGADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357021211 457280942 /nfs/dbraw/zinc/28/09/42/457280942.db2.gz YRYLRBUUZPXAIK-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000347200472 457285017 /nfs/dbraw/zinc/28/50/17/457285017.db2.gz JPDKZIYIXPHIIV-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@@H]1CCCC[NH+]1C ZINC000357032373 457288681 /nfs/dbraw/zinc/28/86/81/457288681.db2.gz DPADCVWVZKIXER-FQEVSTJZSA-N 3 0 344.547 3.494 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000342412917 457290470 /nfs/dbraw/zinc/29/04/70/457290470.db2.gz HTVRADVJJKKWJF-CABCVRRESA-N 2 0 345.409 3.233 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357039911 457293379 /nfs/dbraw/zinc/29/33/79/457293379.db2.gz BJQYRSXCNRVOTN-FPOVZHCZSA-N 2 0 344.499 3.066 20 0 EGADRP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357048215 457297596 /nfs/dbraw/zinc/29/75/96/457297596.db2.gz MPOLDEHHJLPWIP-HLNWXESRSA-N 2 0 343.515 3.201 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000357060281 457303684 /nfs/dbraw/zinc/30/36/84/457303684.db2.gz XUJWNJZNANUPDQ-AWEZNQCLSA-N 2 0 340.414 3.118 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)C[C@H]2C)cc1 ZINC000352016126 457330253 /nfs/dbraw/zinc/33/02/53/457330253.db2.gz VGANKBSYSDJASY-IAGOWNOFSA-N 2 0 331.504 3.083 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(F)c2cccnc12 ZINC000355218655 457347952 /nfs/dbraw/zinc/34/79/52/457347952.db2.gz XZXYYFQEFKVYNV-LZQZEXGQSA-N 2 0 343.446 3.057 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320029 457351014 /nfs/dbraw/zinc/35/10/14/457351014.db2.gz PKPFAOUVXANCLD-XCDJFROHSA-N 2 0 327.516 3.112 20 0 EGADRP CC(C)COc1cccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000352469798 457392811 /nfs/dbraw/zinc/39/28/11/457392811.db2.gz ZEFAMBQKJQXTCZ-UHFFFAOYSA-N 2 0 334.504 3.046 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000352488005 457409584 /nfs/dbraw/zinc/40/95/84/457409584.db2.gz LCSBOYCWSZICSG-IBGZPJMESA-N 2 0 325.456 3.364 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000385474100 457428558 /nfs/dbraw/zinc/42/85/58/457428558.db2.gz AUVHWJHGZXMHEX-CIAFKFPVSA-N 3 0 341.543 3.409 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000385804549 457429250 /nfs/dbraw/zinc/42/92/50/457429250.db2.gz MKLKRKGJOLNOLW-HDYDNRTBSA-N 2 0 344.499 3.220 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1)C(C)C ZINC000357297943 457429684 /nfs/dbraw/zinc/42/96/84/457429684.db2.gz MQKFCPXYEBXCPF-UHFFFAOYSA-N 2 0 345.531 3.473 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374075575 457470021 /nfs/dbraw/zinc/47/00/21/457470021.db2.gz VIDCCLBRYRDPRF-GOSISDBHSA-N 2 0 343.515 3.438 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccsc1 ZINC000347523914 457484922 /nfs/dbraw/zinc/48/49/22/457484922.db2.gz PSANQTQYIQVUGR-GOSISDBHSA-N 2 0 343.496 3.164 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000347536422 457491916 /nfs/dbraw/zinc/49/19/16/457491916.db2.gz ZWYPKPUXITVZIT-UHFFFAOYSA-N 2 0 337.467 3.062 20 0 EGADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000347543747 457497163 /nfs/dbraw/zinc/49/71/63/457497163.db2.gz YUQAJZKZUNSHGT-UHFFFAOYSA-N 2 0 341.499 3.018 20 0 EGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342756211 457502508 /nfs/dbraw/zinc/50/25/08/457502508.db2.gz SSPVPOQQMHZRPQ-LIRRHRJNSA-N 2 0 336.907 3.352 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399107838 457506511 /nfs/dbraw/zinc/50/65/11/457506511.db2.gz YGCIOXSIEAYETO-ZACQAIPSSA-N 2 0 339.524 3.094 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370044713 457515143 /nfs/dbraw/zinc/51/51/43/457515143.db2.gz GYZPGZZJTNTBGA-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401010085 457522788 /nfs/dbraw/zinc/52/27/88/457522788.db2.gz RFBMAAWGIZQDSN-PLACYPQZSA-N 2 0 327.516 3.019 20 0 EGADRP Brc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400996460 457522988 /nfs/dbraw/zinc/52/29/88/457522988.db2.gz JAJQVBSGOFRDOY-SDDRHHMPSA-N 2 0 329.307 3.031 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000342806366 457536304 /nfs/dbraw/zinc/53/63/04/457536304.db2.gz QARIIYRDXFZCLP-FXAWDEMLSA-N 2 0 332.488 3.064 20 0 EGADRP CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000347598006 457537620 /nfs/dbraw/zinc/53/76/20/457537620.db2.gz XFZASMBYMDGFDW-HKUYNNGSSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cnn(C)c1 ZINC000370329127 457620619 /nfs/dbraw/zinc/62/06/19/457620619.db2.gz ZLOJNWOHIJUJRU-BVPXEZJJSA-N 2 0 338.499 3.371 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370634877 457688140 /nfs/dbraw/zinc/68/81/40/457688140.db2.gz NHQFMUJPYWZJCE-IEBWSBKVSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000370638870 457688604 /nfs/dbraw/zinc/68/86/04/457688604.db2.gz ZYXLYULNWCFSDL-NVXWUHKLSA-N 2 0 327.472 3.252 20 0 EGADRP Cc1nc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c(C)o1 ZINC000357796150 457692996 /nfs/dbraw/zinc/69/29/96/457692996.db2.gz PSBKFYYJHHWUAE-CQSZACIVSA-N 2 0 331.460 3.125 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000370683323 457699871 /nfs/dbraw/zinc/69/98/71/457699871.db2.gz JGHLCCMPIWMIRQ-RZUBCFFCSA-N 2 0 341.543 3.255 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000364854665 457706726 /nfs/dbraw/zinc/70/67/26/457706726.db2.gz HHNCJQLKMDLWAZ-YSSFQJQWSA-N 2 0 334.479 3.492 20 0 EGADRP CC(C)[NH+](CCCNC(=O)N[C@H](C)C[NH+]1CCCCCC1)C(C)C ZINC000361470084 457742403 /nfs/dbraw/zinc/74/24/03/457742403.db2.gz QAVZQBUZBOUXLD-GOSISDBHSA-N 2 0 340.556 3.059 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@@H]1C ZINC000365412030 457757261 /nfs/dbraw/zinc/75/72/61/457757261.db2.gz TZNDZFQWWZZMES-HHXXYDBFSA-N 2 0 336.520 3.208 20 0 EGADRP CC(C)c1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433122142 457761226 /nfs/dbraw/zinc/76/12/26/457761226.db2.gz PNPHVSFUWZBJFW-MRXNPFEDSA-N 2 0 331.504 3.191 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000426032550 457762135 /nfs/dbraw/zinc/76/21/35/457762135.db2.gz BLAIABVMBSRARP-CTWPCTMYSA-N 2 0 336.520 3.353 20 0 EGADRP C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433142213 457763868 /nfs/dbraw/zinc/76/38/68/457763868.db2.gz SIAWGBLIBNUWCG-QGZVFWFLSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)sc2c1CCCC2 ZINC000433137105 457764104 /nfs/dbraw/zinc/76/41/04/457764104.db2.gz NQVKPEMJMASXFD-UHFFFAOYSA-N 2 0 335.517 3.077 20 0 EGADRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000433164064 457767383 /nfs/dbraw/zinc/76/73/83/457767383.db2.gz QBFLNXUKNHHXQA-KRWDZBQOSA-N 2 0 337.895 3.111 20 0 EGADRP COC[C@H]1CCC[NH+](CCC(C)CC[N@H+]2CCC[C@H](COC)C2)C1 ZINC000411261605 457844048 /nfs/dbraw/zinc/84/40/48/457844048.db2.gz ATGSNNRTVMMVMB-PMACEKPBSA-N 2 0 340.552 3.120 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000371295043 457853611 /nfs/dbraw/zinc/85/36/11/457853611.db2.gz OIWIUACVOGXNFK-IXDOHACOSA-N 2 0 342.405 3.389 20 0 EGADRP CCCNC(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000411350065 457862530 /nfs/dbraw/zinc/86/25/30/457862530.db2.gz RIKLWGDAENFDNT-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358251702 457889099 /nfs/dbraw/zinc/88/90/99/457889099.db2.gz NAWRYJYHTJJRHD-IBGZPJMESA-N 2 0 325.456 3.108 20 0 EGADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1(CCO)CCOCC1 ZINC000411501292 457903657 /nfs/dbraw/zinc/90/36/57/457903657.db2.gz SRPLCBFACSNFOR-UHFFFAOYSA-N 2 0 346.515 3.036 20 0 EGADRP COc1ccc(C[N@H+](CCC[NH+]2CCCCC2)[C@H](CO)C(C)C)cc1 ZINC000444614553 457918286 /nfs/dbraw/zinc/91/82/86/457918286.db2.gz ZAVLRWRXHKNWGO-OAQYLSRUSA-N 2 0 348.531 3.390 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)COC2 ZINC000358324178 457933857 /nfs/dbraw/zinc/93/38/57/457933857.db2.gz WPISGQGKPHIZOI-JHVJFLLYSA-N 2 0 344.499 3.135 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000427161096 457951324 /nfs/dbraw/zinc/95/13/24/457951324.db2.gz DXBVILNJRCLLMH-PXNSSMCTSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000371510863 457969716 /nfs/dbraw/zinc/96/97/16/457969716.db2.gz OLWBSQRCTBDKDX-WOJBJXKFSA-N 2 0 343.515 3.274 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411913493 458010259 /nfs/dbraw/zinc/01/02/59/458010259.db2.gz YXCJZJFBPZZEDE-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP Fc1ccc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)co2)cc1F ZINC000358520557 458053242 /nfs/dbraw/zinc/05/32/42/458053242.db2.gz WBZJCSBYVJJLTD-UHFFFAOYSA-N 2 0 333.382 3.195 20 0 EGADRP C[C@@H]1C[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000369184134 458115958 /nfs/dbraw/zinc/11/59/58/458115958.db2.gz PKJKTDZGXOHZSR-LMNJBCLMSA-N 2 0 327.516 3.113 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cccc(Br)c2OC)CC1 ZINC000435374549 458124163 /nfs/dbraw/zinc/12/41/63/458124163.db2.gz QNBKZBFHTHBVJI-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000435376146 458125746 /nfs/dbraw/zinc/12/57/46/458125746.db2.gz PUCWJYDVXQDJCX-BBRMVZONSA-N 2 0 346.906 3.371 20 0 EGADRP Cc1ccc(OCc2nc(CN3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000435378495 458128825 /nfs/dbraw/zinc/12/88/25/458128825.db2.gz IXPXDKNYQKHCNU-LSDHHAIUSA-N 2 0 331.485 3.200 20 0 EGADRP CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435383174 458130861 /nfs/dbraw/zinc/13/08/61/458130861.db2.gz GRSLRQIFGOOBNS-CQSZACIVSA-N 2 0 326.868 3.321 20 0 EGADRP CCCN(CC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412218481 458131943 /nfs/dbraw/zinc/13/19/43/458131943.db2.gz ZJDDGQCUEZQHHY-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435385122 458132849 /nfs/dbraw/zinc/13/28/49/458132849.db2.gz PWGJMCBEAPFQIA-FQEVSTJZSA-N 3 0 346.563 3.022 20 0 EGADRP CN(Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000435390669 458133580 /nfs/dbraw/zinc/13/35/80/458133580.db2.gz SXTPIGDOYZSGPN-KRWDZBQOSA-N 2 0 338.879 3.082 20 0 EGADRP CC[N@H+](Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435391899 458135883 /nfs/dbraw/zinc/13/58/83/458135883.db2.gz UPQOPQXISXUZID-CQSZACIVSA-N 2 0 341.293 3.422 20 0 EGADRP CCn1cncc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362394376 458149424 /nfs/dbraw/zinc/14/94/24/458149424.db2.gz DBQMWLSXFQVNHQ-UHFFFAOYSA-N 2 0 338.499 3.391 20 0 EGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000375988947 458152518 /nfs/dbraw/zinc/15/25/18/458152518.db2.gz OXKJJQJYWFUZEW-CTNGQTDRSA-N 2 0 338.499 3.299 20 0 EGADRP c1cc(CN(Cc2nc(C3CC3)no2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435690547 458185071 /nfs/dbraw/zinc/18/50/71/458185071.db2.gz CZRVCBAVGSOSPP-HNNXBMFYSA-N 2 0 344.484 3.153 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412407981 458196694 /nfs/dbraw/zinc/19/66/94/458196694.db2.gz GLQMQTADFRFUJO-HXUWFJFHSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)(C)OC(=O)C1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446890244 458242039 /nfs/dbraw/zinc/24/20/39/458242039.db2.gz IHQHZNAKVSTHPY-UHFFFAOYSA-N 2 0 336.520 3.351 20 0 EGADRP O=C(Nc1ccc(-c2ncc[nH]2)cc1)[C@@H]1CCCN1Cc1ccccn1 ZINC000369614265 458289849 /nfs/dbraw/zinc/28/98/49/458289849.db2.gz WSPBWGGSXZNTLH-SFHVURJKSA-N 2 0 347.422 3.075 20 0 EGADRP C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447557338 458311947 /nfs/dbraw/zinc/31/19/47/458311947.db2.gz JMCOCGPJMHDIKF-GOSISDBHSA-N 2 0 347.547 3.400 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000447589405 458317516 /nfs/dbraw/zinc/31/75/16/458317516.db2.gz XUVNEESTTSIYJL-LNLFQRSKSA-N 2 0 326.488 3.371 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000429341861 458318593 /nfs/dbraw/zinc/31/85/93/458318593.db2.gz SGHAOKIZHBGZRK-NRFANRHFSA-N 2 0 349.478 3.326 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000447602625 458320804 /nfs/dbraw/zinc/32/08/04/458320804.db2.gz TVTQOZONADRRFW-FQEVSTJZSA-N 2 0 348.437 3.416 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000429521677 458340344 /nfs/dbraw/zinc/34/03/44/458340344.db2.gz NFPKKQIUFNGFFL-HNAYVOBHSA-N 2 0 325.456 3.016 20 0 EGADRP C[C@@H](CN1CCCC1=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000376655202 458362936 /nfs/dbraw/zinc/36/29/36/458362936.db2.gz FSMZWAQWBQYVEM-KKXNLOMOSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)OCC[NH+]1CCC(NCc2ncc(C(C)(C)C)s2)CC1 ZINC000447931082 458366876 /nfs/dbraw/zinc/36/68/76/458366876.db2.gz NJALAEPVEGYJBQ-UHFFFAOYSA-N 2 0 339.549 3.420 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)CCN1Cc1ccccc1 ZINC000373037470 458382098 /nfs/dbraw/zinc/38/20/98/458382098.db2.gz WSAFMXFISXFSQI-QRQLOZEOSA-N 2 0 342.483 3.067 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CSC)C2)CC1 ZINC000430194963 458418371 /nfs/dbraw/zinc/41/83/71/458418371.db2.gz LSSPSTKJKJZOSO-SFHVURJKSA-N 2 0 347.572 3.404 20 0 EGADRP C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423427312 458431612 /nfs/dbraw/zinc/43/16/12/458431612.db2.gz NTCCBHFXIHWZLD-HARLFGEKSA-N 2 0 349.522 3.374 20 0 EGADRP c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc(C[NH+]2CCCC2)c1 ZINC000373221958 458434565 /nfs/dbraw/zinc/43/45/65/458434565.db2.gz ADTNOPQGQXWJLW-XUVXKRRUSA-N 2 0 326.484 3.330 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C12CCC2 ZINC000423473151 458438846 /nfs/dbraw/zinc/43/88/46/458438846.db2.gz NSKFBVDARBRFRK-NBYUQASBSA-N 2 0 346.490 3.456 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCNCC1(F)F)c1nc(C(F)(F)F)cs1 ZINC000423484999 458441230 /nfs/dbraw/zinc/44/12/30/458441230.db2.gz SSSLYXSZFWSSPX-SFYZADRCSA-N 2 0 329.338 3.057 20 0 EGADRP C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423527329 458452584 /nfs/dbraw/zinc/45/25/84/458452584.db2.gz MHQNVTNMPNERQD-OUFMZXHOSA-N 2 0 349.522 3.242 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423537854 458454964 /nfs/dbraw/zinc/45/49/64/458454964.db2.gz LEJQSLCIROATBD-BHIFYINESA-N 3 0 339.527 3.187 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NCCC[NH2+]C3CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423556096 458456760 /nfs/dbraw/zinc/45/67/60/458456760.db2.gz MKLHEHNYBKEYKJ-HKBOAZHASA-N 2 0 327.516 3.161 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000459721720 458456777 /nfs/dbraw/zinc/45/67/77/458456777.db2.gz ARHLJVURHWAJLL-AZUAARDMSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@](C[NH3+])([NH2+]CCOc1ccc(Cl)cc1Br)C1CC1 ZINC000430560486 458462428 /nfs/dbraw/zinc/46/24/28/458462428.db2.gz WNHRAQMXMPABCJ-CQSZACIVSA-N 2 0 347.684 3.198 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000459743160 458466346 /nfs/dbraw/zinc/46/63/46/458466346.db2.gz WQQXYGZSOCALNJ-CYBMUJFWSA-N 2 0 334.414 3.176 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459774558 458475542 /nfs/dbraw/zinc/47/55/42/458475542.db2.gz JFMCOSQRLVEBRT-CEWLAPEOSA-N 3 0 329.532 3.219 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000430731330 458486312 /nfs/dbraw/zinc/48/63/12/458486312.db2.gz LSSIRMKKQSWQMH-ZHALLVOQSA-N 2 0 330.520 3.138 20 0 EGADRP CCCCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430922020 458504731 /nfs/dbraw/zinc/50/47/31/458504731.db2.gz WSRQCIXYNKUKJL-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP C[C@H](NC(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc2ccccc21 ZINC000430929822 458506697 /nfs/dbraw/zinc/50/66/97/458506697.db2.gz RAKLJONDQRRKJU-NARAOEGZSA-N 2 0 339.483 3.075 20 0 EGADRP C[NH2+]CC1CC[NH+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000430957056 458509764 /nfs/dbraw/zinc/50/97/64/458509764.db2.gz NPXCNYDKBLHGDL-UHFFFAOYSA-N 2 0 346.450 3.048 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431034497 458519522 /nfs/dbraw/zinc/51/95/22/458519522.db2.gz OMJCMHSPGOPMDR-MJGOQNOKSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431042425 458521439 /nfs/dbraw/zinc/52/14/39/458521439.db2.gz HKSHFGLUYHDMHS-SOAMZJECSA-N 2 0 343.515 3.029 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@H+](CCc2ccccc2F)C2CCCC2)n1 ZINC000431074696 458524385 /nfs/dbraw/zinc/52/43/85/458524385.db2.gz XEZFGTFHGZQKNH-UHFFFAOYSA-N 2 0 346.450 3.390 20 0 EGADRP C[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423968794 458524655 /nfs/dbraw/zinc/52/46/55/458524655.db2.gz KRFMEAGJYKHFRH-XLIONFOSSA-N 2 0 339.483 3.103 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@H+](CCc2ccc(F)cc2)C2CCCC2)n1 ZINC000431107819 458530194 /nfs/dbraw/zinc/53/01/94/458530194.db2.gz SCPPDLJKPNFXNL-UHFFFAOYSA-N 2 0 346.450 3.390 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000469480492 458576444 /nfs/dbraw/zinc/57/64/44/458576444.db2.gz VKQCJXDGVSBQHC-SFHVURJKSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H](CCSc1ccccc1)[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000431607054 458594314 /nfs/dbraw/zinc/59/43/14/458594314.db2.gz UDGVFJVQESOMDY-INIZCTEOSA-N 2 0 330.501 3.098 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1coc(-c3cccc(F)c3)n1)CC[NH2+]CC2 ZINC000424296594 458608121 /nfs/dbraw/zinc/60/81/21/458608121.db2.gz RZIMRBPGPPWTGH-CQSZACIVSA-N 2 0 329.419 3.445 20 0 EGADRP COC(=O)CC1CC([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000424300211 458608997 /nfs/dbraw/zinc/60/89/97/458608997.db2.gz JWKYZXPUQOUBHJ-YUKKFIBKSA-N 2 0 344.499 3.218 20 0 EGADRP COC(=O)CC1CC([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000424300204 458609162 /nfs/dbraw/zinc/60/91/62/458609162.db2.gz JWKYZXPUQOUBHJ-FVPXHTFXSA-N 2 0 344.499 3.218 20 0 EGADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC(F)F ZINC000424381549 458630070 /nfs/dbraw/zinc/63/00/70/458630070.db2.gz RAGCUJDTOYXAMF-CYBMUJFWSA-N 2 0 340.414 3.261 20 0 EGADRP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431818520 458630558 /nfs/dbraw/zinc/63/05/58/458630558.db2.gz QYPMJIMHNZHMBY-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1c(F)cccc1N1CCCC1)CC[NH2+]CC2 ZINC000424388944 458632273 /nfs/dbraw/zinc/63/22/73/458632273.db2.gz ZQNAZSSTKSWTTJ-INIZCTEOSA-N 2 0 331.479 3.390 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456309068 458636172 /nfs/dbraw/zinc/63/61/72/458636172.db2.gz JIAKRQWJIFPYLP-HNAYVOBHSA-N 2 0 329.488 3.439 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000456519607 458701950 /nfs/dbraw/zinc/70/19/50/458701950.db2.gz ATBOBHTUEJSRPL-QGZVFWFLSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432247551 458703781 /nfs/dbraw/zinc/70/37/81/458703781.db2.gz RRJAWALFCMCZQF-GFCCVEGCSA-N 2 0 348.293 3.248 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215222 458720421 /nfs/dbraw/zinc/72/04/21/458720421.db2.gz FMBHEFKEOOKBCC-SOAGJPPSSA-N 2 0 327.516 3.304 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464094056 458730975 /nfs/dbraw/zinc/73/09/75/458730975.db2.gz QETHVEAPLPKZSZ-VAMGGRTRSA-N 2 0 330.516 3.251 20 0 EGADRP COc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C(C)C)cc1 ZINC000432421136 458737453 /nfs/dbraw/zinc/73/74/53/458737453.db2.gz NYNOVUWWIAKPCF-FXAWDEMLSA-N 2 0 334.504 3.483 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C(C)C)cc1 ZINC000432421138 458737705 /nfs/dbraw/zinc/73/77/05/458737705.db2.gz NYNOVUWWIAKPCF-XLIONFOSSA-N 2 0 334.504 3.483 20 0 EGADRP COCCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000530279202 458740351 /nfs/dbraw/zinc/74/03/51/458740351.db2.gz YYRDCQWUFXJAJP-NRFANRHFSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@H]([NH2+][C@H](CO)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547503487 458750871 /nfs/dbraw/zinc/75/08/71/458750871.db2.gz KYQBYUAZMFAOSG-DZFGPLHGSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494926231 458766298 /nfs/dbraw/zinc/76/62/98/458766298.db2.gz WYDJMYNVNVNRQF-DLBZAZTESA-N 2 0 331.504 3.161 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494927515 458766744 /nfs/dbraw/zinc/76/67/44/458766744.db2.gz AACYVJPDIHQWSY-XQRVVYSFSA-N 2 0 331.504 3.165 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000439960004 458769493 /nfs/dbraw/zinc/76/94/93/458769493.db2.gz UYQQCKXSSISEMG-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]CCCCn1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828540 458801134 /nfs/dbraw/zinc/80/11/34/458801134.db2.gz ZHIXZBSVHLNYBO-UYAOXDASSA-N 2 0 326.488 3.164 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCS2 ZINC000547978193 458818706 /nfs/dbraw/zinc/81/87/06/458818706.db2.gz HPMZDKSEOGUJAI-LJQANCHMSA-N 2 0 347.572 3.458 20 0 EGADRP Cc1ccc2[nH]c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2c1C ZINC000473137781 458820593 /nfs/dbraw/zinc/82/05/93/458820593.db2.gz IIDRUFYLAWRZHC-UHFFFAOYSA-N 2 0 341.499 3.329 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000530810850 458829575 /nfs/dbraw/zinc/82/95/75/458829575.db2.gz FBSXSCKEWAOSIQ-UHFFFAOYSA-N 2 0 341.455 3.071 20 0 EGADRP CC[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](CC)CC ZINC000530831198 458831732 /nfs/dbraw/zinc/83/17/32/458831732.db2.gz WUWWAESPQMBBSR-IAGOWNOFSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1ccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000518117873 458844018 /nfs/dbraw/zinc/84/40/18/458844018.db2.gz OOHNYLYBHBAEJO-UHFFFAOYSA-N 2 0 325.456 3.336 20 0 EGADRP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000474474560 458888262 /nfs/dbraw/zinc/88/82/62/458888262.db2.gz GOXUFEAQIMPWQS-MOPGFXCFSA-N 2 0 330.520 3.138 20 0 EGADRP C[N@H+](CCCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000457205479 458897795 /nfs/dbraw/zinc/89/77/95/458897795.db2.gz RCBMMSGQRWKLJR-HXUWFJFHSA-N 2 0 343.515 3.032 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000474876119 458904280 /nfs/dbraw/zinc/90/42/80/458904280.db2.gz CSGKOLLDYFHGQI-ZJRDLVKKSA-N 2 0 338.536 3.456 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC000518999469 458907301 /nfs/dbraw/zinc/90/73/01/458907301.db2.gz CDYJMPKDTIJBGT-IAGOWNOFSA-N 2 0 330.472 3.129 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000519529869 458957056 /nfs/dbraw/zinc/95/70/56/458957056.db2.gz YHGCMLDZXHPUKI-DOTOQJQBSA-N 2 0 344.503 3.181 20 0 EGADRP Cc1cnc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)nc1 ZINC000566619158 458971551 /nfs/dbraw/zinc/97/15/51/458971551.db2.gz AHZCUBJNSFKFED-LJQANCHMSA-N 2 0 336.483 3.114 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000476128173 458981255 /nfs/dbraw/zinc/98/12/55/458981255.db2.gz BSZWGEJXOXBXNS-KZNAEPCWSA-N 2 0 337.552 3.266 20 0 EGADRP COc1ccccc1OCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000566875236 459014235 /nfs/dbraw/zinc/01/42/35/459014235.db2.gz UARSJWDECHCKQX-UHFFFAOYSA-N 2 0 332.488 3.461 20 0 EGADRP CN(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924636 459022803 /nfs/dbraw/zinc/02/28/03/459022803.db2.gz RZSYANTXFFPPLW-ZWKOTPCHSA-N 2 0 349.906 3.076 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442868240 459046745 /nfs/dbraw/zinc/04/67/45/459046745.db2.gz GLGZZEBLFBALGG-MRXNPFEDSA-N 2 0 335.561 3.475 20 0 EGADRP Cc1ccc2cc([C@@H](C)[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)oc2c1 ZINC000442870280 459047919 /nfs/dbraw/zinc/04/79/19/459047919.db2.gz GBXJEJCEWVWSSJ-MRXNPFEDSA-N 2 0 329.488 3.418 20 0 EGADRP CCC[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCC)c1ccc(Cl)cc1 ZINC000557336331 459064164 /nfs/dbraw/zinc/06/41/64/459064164.db2.gz BWAATSQCQWTXMP-QGZVFWFLSA-N 2 0 339.911 3.181 20 0 EGADRP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000443077127 459086116 /nfs/dbraw/zinc/08/61/16/459086116.db2.gz UCJGZMWEDTVLPX-OAHLLOKOSA-N 2 0 328.460 3.421 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000577955203 459123493 /nfs/dbraw/zinc/12/34/93/459123493.db2.gz HDGGUHDASFKCEO-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000496272585 459130966 /nfs/dbraw/zinc/13/09/66/459130966.db2.gz HOOWNCLQIOHQJH-YLFCFFPRSA-N 2 0 341.540 3.388 20 0 EGADRP Clc1ccccc1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC1 ZINC000567642441 459138291 /nfs/dbraw/zinc/13/82/91/459138291.db2.gz BGGBJYBQLIJYSZ-IEBWDACRSA-N 2 0 333.907 3.350 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479524311 459146610 /nfs/dbraw/zinc/14/66/10/459146610.db2.gz HAALOGXQMSGGSE-XJKSGUPXSA-N 2 0 330.394 3.100 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479557147 459149391 /nfs/dbraw/zinc/14/93/91/459149391.db2.gz NPTYWUGNJQXHDJ-BEFAXECRSA-N 2 0 335.923 3.191 20 0 EGADRP O[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567700925 459149807 /nfs/dbraw/zinc/14/98/07/459149807.db2.gz VBNQDUKFHVVPBU-VXKWHMMOSA-N 2 0 338.495 3.092 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC1CC[NH2+]CC1 ZINC000479693096 459159907 /nfs/dbraw/zinc/15/99/07/459159907.db2.gz XUVRQKNGEFTNQV-UHFFFAOYSA-N 2 0 344.478 3.470 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000567752333 459160433 /nfs/dbraw/zinc/16/04/33/459160433.db2.gz GNZKAWPEJGUUGM-WOJBJXKFSA-N 2 0 327.472 3.025 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000567752331 459160697 /nfs/dbraw/zinc/16/06/97/459160697.db2.gz GNZKAWPEJGUUGM-UXHICEINSA-N 2 0 327.472 3.025 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000578382119 459191530 /nfs/dbraw/zinc/19/15/30/459191530.db2.gz BIWAQLGIAWWTJV-CEWLAPEOSA-N 2 0 327.516 3.367 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC1 ZINC000595063439 459232965 /nfs/dbraw/zinc/23/29/65/459232965.db2.gz AXKSUIGMYHFVSZ-FVQTWHFISA-N 2 0 340.577 3.309 20 0 EGADRP CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000533431983 459233474 /nfs/dbraw/zinc/23/34/74/459233474.db2.gz SRCHIJADALTYQP-LBPRGKRZSA-N 2 0 344.286 3.206 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000595104199 459246613 /nfs/dbraw/zinc/24/66/13/459246613.db2.gz QKLXWDOKXWBLDN-KFKAGJAMSA-N 2 0 336.520 3.066 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000533785255 459269021 /nfs/dbraw/zinc/26/90/21/459269021.db2.gz MSFLOIPACHGRDY-IAGOWNOFSA-N 2 0 335.561 3.333 20 0 EGADRP CSc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000595331766 459278689 /nfs/dbraw/zinc/27/86/89/459278689.db2.gz DCFFQGUSOXQDTF-SFHVURJKSA-N 2 0 333.545 3.009 20 0 EGADRP Cc1cc2[nH]c(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2c(C)c1 ZINC000481985590 459284823 /nfs/dbraw/zinc/28/48/23/459284823.db2.gz PXFQOMDLKAMQAN-QGZVFWFLSA-N 2 0 343.515 3.309 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000582117297 459310280 /nfs/dbraw/zinc/31/02/80/459310280.db2.gz LCULNXAZGULDJE-AZUAARDMSA-N 2 0 348.531 3.145 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000482481333 459311482 /nfs/dbraw/zinc/31/14/82/459311482.db2.gz OVFYTZNRMUPBDE-LPHOPBHVSA-N 2 0 345.531 3.180 20 0 EGADRP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000560268644 459317303 /nfs/dbraw/zinc/31/73/03/459317303.db2.gz ZGRFMPFWVWGMHK-VQIMIIECSA-N 2 0 346.515 3.259 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000523727072 459326577 /nfs/dbraw/zinc/32/65/77/459326577.db2.gz XCJBFEONVAGGBN-GOSISDBHSA-N 2 0 343.515 3.131 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000482886584 459329850 /nfs/dbraw/zinc/32/98/50/459329850.db2.gz IXFQIAOKGIWFFP-LEWJYISDSA-N 2 0 332.532 3.389 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000582242249 459332162 /nfs/dbraw/zinc/33/21/62/459332162.db2.gz QYTBUSLXYNWTLD-SFHVURJKSA-N 2 0 325.412 3.479 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483119301 459342295 /nfs/dbraw/zinc/34/22/95/459342295.db2.gz LVKZAWLBLQAICC-XJKSGUPXSA-N 2 0 337.305 3.411 20 0 EGADRP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000560460448 459350112 /nfs/dbraw/zinc/35/01/12/459350112.db2.gz MHYBRKINUNQZPT-LJQANCHMSA-N 2 0 335.923 3.249 20 0 EGADRP CCCOc1ccc(OCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000524609645 459375190 /nfs/dbraw/zinc/37/51/90/459375190.db2.gz IKPAZLJHGROABL-SFHVURJKSA-N 2 0 332.488 3.272 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(N2CCOC2=O)c1 ZINC000496929983 459375330 /nfs/dbraw/zinc/37/53/30/459375330.db2.gz ZNACYZFZQNAIGT-JYJNAYRXSA-N 2 0 331.460 3.059 20 0 EGADRP C[NH+](C)CCCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000560601762 459378768 /nfs/dbraw/zinc/37/87/68/459378768.db2.gz GMPKLPSXUANNGX-UHFFFAOYSA-N 2 0 345.531 3.411 20 0 EGADRP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000582601475 459392767 /nfs/dbraw/zinc/39/27/67/459392767.db2.gz NMBPWKFFSVSMTK-SFHVURJKSA-N 2 0 348.531 3.402 20 0 EGADRP CCC[NH+]1CCC(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000497010982 459404443 /nfs/dbraw/zinc/40/44/43/459404443.db2.gz MBJYIPULKCGZBU-UHFFFAOYSA-N 2 0 339.524 3.003 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000484124507 459407107 /nfs/dbraw/zinc/40/71/07/459407107.db2.gz ZHRWYJMQSJLKJA-SFHVURJKSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495593 459461771 /nfs/dbraw/zinc/46/17/71/459461771.db2.gz HHPATHVIQKDGSI-JKSUJKDBSA-N 2 0 339.439 3.229 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000497174653 459473338 /nfs/dbraw/zinc/47/33/38/459473338.db2.gz AHOFCHGWZIVUHW-HZPDHXFCSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497177387 459473774 /nfs/dbraw/zinc/47/37/74/459473774.db2.gz KDOSCYGPZOISKC-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497203332 459483899 /nfs/dbraw/zinc/48/38/99/459483899.db2.gz RDDQOXGJCGZNSP-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP CCCCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486210158 459493178 /nfs/dbraw/zinc/49/31/78/459493178.db2.gz BANRTNNPPZXBHU-WBVHZDCISA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000561976702 459498818 /nfs/dbraw/zinc/49/88/18/459498818.db2.gz QBDZOVWPTOFETK-ZWKOTPCHSA-N 2 0 334.504 3.345 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000525875149 459508852 /nfs/dbraw/zinc/50/88/52/459508852.db2.gz CSXCHWBPVXJOHM-PXNSSMCTSA-N 2 0 333.495 3.030 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000596095407 459518947 /nfs/dbraw/zinc/51/89/47/459518947.db2.gz QDJDJUAOQMHUPG-XSSDXNQZSA-N 2 0 334.529 3.197 20 0 EGADRP CCC(CC)(CNC(=O)N[C@@H](C)C[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000497441423 459535767 /nfs/dbraw/zinc/53/57/67/459535767.db2.gz CZJMXRMBEWVSFF-IRXDYDNUSA-N 2 0 348.535 3.145 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569961345 459539086 /nfs/dbraw/zinc/53/90/86/459539086.db2.gz MIIREQYQBZGAAG-NHCUHLMSSA-N 2 0 348.531 3.054 20 0 EGADRP CC1=CC[C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000572861929 459587806 /nfs/dbraw/zinc/58/78/06/459587806.db2.gz GSJGGKGAYQKDFZ-SFTDATJTSA-N 2 0 327.516 3.454 20 0 EGADRP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000592437157 459600314 /nfs/dbraw/zinc/60/03/14/459600314.db2.gz ASGBNZDPBVPIFC-MANSERQUSA-N 2 0 330.472 3.047 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000573436747 459677559 /nfs/dbraw/zinc/67/75/59/459677559.db2.gz FUSZTMWYMIYBFG-MNEFBYGVSA-N 2 0 335.923 3.455 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](CN(C)CC[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC000563214688 459740044 /nfs/dbraw/zinc/74/00/44/459740044.db2.gz CVRKRXICARLHIW-MSOLQXFVSA-N 2 0 335.561 3.295 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)[C@H](C)C1 ZINC000544384718 459754636 /nfs/dbraw/zinc/75/46/36/459754636.db2.gz DDQJJYUUQQUXMN-IXDOHACOSA-N 2 0 330.582 3.491 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccn3c(C)cnc3c2)c1 ZINC000574052008 459773995 /nfs/dbraw/zinc/77/39/95/459773995.db2.gz QUSNCUAMJNRKMQ-UHFFFAOYSA-N 2 0 336.439 3.024 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](C)CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000574168822 459788310 /nfs/dbraw/zinc/78/83/10/459788310.db2.gz JQSPARONYCKYIM-QUCCMNQESA-N 3 0 340.515 3.338 20 0 EGADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000528004678 459793351 /nfs/dbraw/zinc/79/33/51/459793351.db2.gz RQLDXRNTKZEPAA-PIABYFCUSA-N 2 0 328.500 3.299 20 0 EGADRP CCCCCOc1ccc([C@@H]([NH2+]C[C@@]2(O)CCN(C)C2)C2CC2)cc1 ZINC000545161153 459804691 /nfs/dbraw/zinc/80/46/91/459804691.db2.gz MFOBNTDLPYTSSP-SFTDATJTSA-N 2 0 346.515 3.363 20 0 EGADRP COC(=O)c1oc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000597048946 459824643 /nfs/dbraw/zinc/82/46/43/459824643.db2.gz YSEKQTIDNLMVNX-GJZGRUSLSA-N 2 0 336.476 3.222 20 0 EGADRP CSC1(C[NH2+]Cc2nc(C(C)C)n3ccccc23)CC[NH+](C)CC1 ZINC000566338937 459845629 /nfs/dbraw/zinc/84/56/29/459845629.db2.gz UZIBFLVNALOJBZ-UHFFFAOYSA-N 2 0 346.544 3.375 20 0 EGADRP CCOC(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[nH]1 ZINC000602594452 460015611 /nfs/dbraw/zinc/01/56/11/460015611.db2.gz WQQUMNZWFNRENP-UHFFFAOYSA-N 2 0 341.455 3.077 20 0 EGADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000589349523 460076629 /nfs/dbraw/zinc/07/66/29/460076629.db2.gz JEKBAIZPVWKOAI-KRWDZBQOSA-N 2 0 334.529 3.490 20 0 EGADRP C[C@H]1[C@H](NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576134271 460077063 /nfs/dbraw/zinc/07/70/63/460077063.db2.gz BHGMMIGSDDGEPS-LAUBAEHRSA-N 2 0 327.516 3.113 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618669060 460119255 /nfs/dbraw/zinc/11/92/55/460119255.db2.gz DVPKFICTWKFNJL-AZUAARDMSA-N 2 0 343.515 3.203 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2ccccc21 ZINC000599069674 460150331 /nfs/dbraw/zinc/15/03/31/460150331.db2.gz IFADHBGMVMXTJN-PWIZWCRZSA-N 2 0 344.499 3.490 20 0 EGADRP CC[NH+](CC)CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576505064 460155567 /nfs/dbraw/zinc/15/55/67/460155567.db2.gz GEYYPVRUALUIKV-LEWJYISDSA-N 2 0 329.532 3.172 20 0 EGADRP CSC[C@H](O)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602865163 460165621 /nfs/dbraw/zinc/16/56/21/460165621.db2.gz UGTXMNALDTYENH-LJQANCHMSA-N 2 0 348.556 3.089 20 0 EGADRP COC(=O)CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000599317579 460227801 /nfs/dbraw/zinc/22/78/01/460227801.db2.gz CMIXSSPFHOAJOQ-VQTJNVASSA-N 2 0 344.499 3.316 20 0 EGADRP C[C@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)[NH+]1CCCCCC1 ZINC000622522046 460272408 /nfs/dbraw/zinc/27/24/08/460272408.db2.gz HUMGUNMJAPJFKY-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1 ZINC000603740927 460338206 /nfs/dbraw/zinc/33/82/06/460338206.db2.gz XUXUEDMPSCTFRB-QYZOEREBSA-N 2 0 344.499 3.413 20 0 EGADRP COCCC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000628384258 460392582 /nfs/dbraw/zinc/39/25/82/460392582.db2.gz XKGSGXICSRFDOJ-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000623064917 460401895 /nfs/dbraw/zinc/40/18/95/460401895.db2.gz JTLXSAQDZZWGKS-MJGOQNOKSA-N 2 0 344.503 3.134 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000631569130 460448575 /nfs/dbraw/zinc/44/85/75/460448575.db2.gz HKLNHMLSJCAKHZ-ZCNNSNEGSA-N 2 0 344.499 3.064 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000631569079 460448599 /nfs/dbraw/zinc/44/85/99/460448599.db2.gz GASIRJOCMMXJOI-NRFANRHFSA-N 2 0 340.467 3.413 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631577209 460452768 /nfs/dbraw/zinc/45/27/68/460452768.db2.gz QQFFKHMTYGBDQS-LJQANCHMSA-N 2 0 325.456 3.189 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000634732900 460497500 /nfs/dbraw/zinc/49/75/00/460497500.db2.gz ROYXACQBVCQOKM-MISYRCLQSA-N 2 0 329.532 3.407 20 0 EGADRP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)c12 ZINC000623400232 460528475 /nfs/dbraw/zinc/52/84/75/460528475.db2.gz MIPSFFGXTQXIEL-SFHVURJKSA-N 2 0 334.467 3.217 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cccc3n[nH]cc32)cc1 ZINC000623400233 460528782 /nfs/dbraw/zinc/52/87/82/460528782.db2.gz MJCBOSVTFVKPRZ-UHFFFAOYSA-N 2 0 338.455 3.183 20 0 EGADRP COc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000623424728 460541484 /nfs/dbraw/zinc/54/14/84/460541484.db2.gz BOUQKBBDZMIXBJ-GASCZTMLSA-N 2 0 340.895 3.328 20 0 EGADRP c1c(C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000629417009 460752128 /nfs/dbraw/zinc/75/21/28/460752128.db2.gz LRHWMQMMBBUQOP-GBESFXJTSA-N 2 0 331.508 3.041 20 0 EGADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000629559829 460806665 /nfs/dbraw/zinc/80/66/65/460806665.db2.gz NOIGNOGFYNQHSV-MRXNPFEDSA-N 2 0 344.421 3.029 20 0 EGADRP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnn(CC[NH+](C)C)c2)cc1 ZINC000629707056 460880720 /nfs/dbraw/zinc/88/07/20/460880720.db2.gz GLBQTDRGHFJMPR-HXUWFJFHSA-N 2 0 326.488 3.486 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000601761804 460891377 /nfs/dbraw/zinc/89/13/77/460891377.db2.gz NVYAQVKJJNCQRT-UHFFFAOYSA-N 2 0 347.890 3.431 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000632951282 460903035 /nfs/dbraw/zinc/90/30/35/460903035.db2.gz LMHKXOWSSRGXCD-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CCC2 ZINC000602020344 460992107 /nfs/dbraw/zinc/99/21/07/460992107.db2.gz JYGMWBXLTVZKKX-KKUMJFAQSA-N 2 0 334.460 3.249 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000628236418 461057126 /nfs/dbraw/zinc/05/71/26/461057126.db2.gz AFYUNJIUIYGPRO-XMSQKQJNSA-N 2 0 338.495 3.455 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000668147072 461133967 /nfs/dbraw/zinc/13/39/67/461133967.db2.gz YZJNZTGKUDMWMR-YJJAZYOBSA-N 2 0 332.488 3.157 20 0 EGADRP CCCOc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000668158310 461143121 /nfs/dbraw/zinc/14/31/21/461143121.db2.gz OYYZERSKJBCIMH-UHFFFAOYSA-N 2 0 347.547 3.242 20 0 EGADRP CCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000662256665 461143594 /nfs/dbraw/zinc/14/35/94/461143594.db2.gz MUQYMDMBESQISJ-XUVXKRRUSA-N 2 0 328.500 3.358 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H]1CC[NH3+] ZINC000652354574 461149866 /nfs/dbraw/zinc/14/98/66/461149866.db2.gz CAMWJZXREXRIAX-YLJYHZDGSA-N 2 0 343.515 3.262 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)C1 ZINC000652362644 461154481 /nfs/dbraw/zinc/15/44/81/461154481.db2.gz MFCLHIOAWLKBKP-KURKYZTESA-N 2 0 341.455 3.202 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649546829 461166577 /nfs/dbraw/zinc/16/65/77/461166577.db2.gz BHPUVOXPTIZPTQ-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290876 461167366 /nfs/dbraw/zinc/16/73/66/461167366.db2.gz MLHUVZIJKGNQRH-AEFFLSMTSA-N 2 0 329.488 3.034 20 0 EGADRP Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292629 461169268 /nfs/dbraw/zinc/16/92/68/461169268.db2.gz GGLXAHKIZZWZMC-OAHLLOKOSA-N 2 0 344.434 3.087 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662291455 461169849 /nfs/dbraw/zinc/16/98/49/461169849.db2.gz SRPZMCSHQOCQHJ-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291514 461169865 /nfs/dbraw/zinc/16/98/65/461169865.db2.gz VUORVNFITUZIAE-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000649552039 461171433 /nfs/dbraw/zinc/17/14/33/461171433.db2.gz VDWIRKSUNZLNHY-NJYVYQBISA-N 2 0 327.516 3.067 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294551 461172871 /nfs/dbraw/zinc/17/28/71/461172871.db2.gz QSTPNYNAKFLTLJ-QGZVFWFLSA-N 2 0 347.478 3.174 20 0 EGADRP COc1cc(C)c([C@H](C)N2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000638048848 461215015 /nfs/dbraw/zinc/21/50/15/461215015.db2.gz UZJVAIBBUAEVDC-SJORKVTESA-N 2 0 334.504 3.150 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)c1ccsc1 ZINC000662383832 461226615 /nfs/dbraw/zinc/22/66/15/461226615.db2.gz FRULSGYARKKHNQ-SFHVURJKSA-N 2 0 343.496 3.164 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662390905 461228183 /nfs/dbraw/zinc/22/81/83/461228183.db2.gz SOSLJIWUVRZZMC-UHFFFAOYSA-N 2 0 337.467 3.062 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]([NH3+])CCC(C)C ZINC000638090462 461234829 /nfs/dbraw/zinc/23/48/29/461234829.db2.gz XEZBJZGMMPJODR-QGZVFWFLSA-N 2 0 349.544 3.246 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662583728 461304458 /nfs/dbraw/zinc/30/44/58/461304458.db2.gz ICVPITXKNDVOAI-GOSISDBHSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675330 461343602 /nfs/dbraw/zinc/34/36/02/461343602.db2.gz LKKYVPPKSCSELG-QFBILLFUSA-N 2 0 343.515 3.065 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662695960 461348913 /nfs/dbraw/zinc/34/89/13/461348913.db2.gz RCWRMHHKPSXWAM-UHFFFAOYSA-N 2 0 337.467 3.060 20 0 EGADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000662698410 461352015 /nfs/dbraw/zinc/35/20/15/461352015.db2.gz LVRUJKBLYCNBRO-LJQANCHMSA-N 2 0 343.515 3.067 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)c2)CC1 ZINC000662803431 461377702 /nfs/dbraw/zinc/37/77/02/461377702.db2.gz ZIKCMNLXJOUBHI-IBGZPJMESA-N 2 0 343.515 3.288 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638360959 461386762 /nfs/dbraw/zinc/38/67/62/461386762.db2.gz XOPLLPHMLGXWOX-NHCUHLMSSA-N 2 0 329.532 3.188 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CC2 ZINC000655733915 461401610 /nfs/dbraw/zinc/40/16/10/461401610.db2.gz VCBLZUVQUVUVHS-SLFFLAALSA-N 2 0 328.500 3.258 20 0 EGADRP c1cc(CCC[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc2c1OCC2 ZINC000668818745 461451219 /nfs/dbraw/zinc/45/12/19/461451219.db2.gz KLWNIJVTGVMGQP-IBGZPJMESA-N 2 0 328.500 3.266 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC000638594246 461497519 /nfs/dbraw/zinc/49/75/19/461497519.db2.gz DUNFZFKTQSFBNN-FXAWDEMLSA-N 2 0 343.515 3.405 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CCC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000653119551 461510152 /nfs/dbraw/zinc/51/01/52/461510152.db2.gz NYRCRKAKTBLNNX-MJGOQNOKSA-N 2 0 345.531 3.402 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000631063242 461514662 /nfs/dbraw/zinc/51/46/62/461514662.db2.gz JAZNMQVUFKMEJM-JTGQJZMRSA-N 2 0 329.532 3.098 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631063027 461514882 /nfs/dbraw/zinc/51/48/82/461514882.db2.gz FIKOAZXVHHKBAN-KRWDZBQOSA-N 2 0 343.490 3.342 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000631108798 461557342 /nfs/dbraw/zinc/55/73/42/461557342.db2.gz SSHJQPRFJURTPM-UHFFFAOYSA-N 2 0 329.669 3.454 20 0 EGADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000663347074 461577866 /nfs/dbraw/zinc/57/78/66/461577866.db2.gz ZCINKIYLZBWBTN-COPCDDAFSA-N 2 0 341.543 3.361 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)o1 ZINC000642916785 461579280 /nfs/dbraw/zinc/57/92/80/461579280.db2.gz CQVIWCREXDOHLM-UHFFFAOYSA-N 2 0 335.492 3.164 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]CCCc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000638797395 461584343 /nfs/dbraw/zinc/58/43/43/461584343.db2.gz QSYXPFQSSAPLKH-AZUAARDMSA-N 2 0 340.515 3.243 20 0 EGADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000653253294 461591736 /nfs/dbraw/zinc/59/17/36/461591736.db2.gz OBHQOPBRVFXNTH-MAUKXSAKSA-N 2 0 347.528 3.201 20 0 EGADRP CCNC(=O)[C@H](C)NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638846870 461615133 /nfs/dbraw/zinc/61/51/33/461615133.db2.gz FQWNDUGMKHRISY-UWJYYQICSA-N 2 0 345.531 3.039 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000638862351 461625196 /nfs/dbraw/zinc/62/51/96/461625196.db2.gz SSCRRRUPKWRICV-ZWKOTPCHSA-N 2 0 335.536 3.151 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467553 461658058 /nfs/dbraw/zinc/65/80/58/461658058.db2.gz GRVKEEICENCYCH-LPHOPBHVSA-N 2 0 344.499 3.448 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663469513 461659623 /nfs/dbraw/zinc/65/96/23/461659623.db2.gz PYFFDAHSGIVCDF-LPHOPBHVSA-N 2 0 346.515 3.346 20 0 EGADRP CCn1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000663471744 461662730 /nfs/dbraw/zinc/66/27/30/461662730.db2.gz WKFLCPLIDYCILW-SESVDKBCSA-N 2 0 338.499 3.293 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](OC)C2CCOCC2)CC1 ZINC000638977802 461668031 /nfs/dbraw/zinc/66/80/31/461668031.db2.gz PPJNNZMLZVUHJQ-FQEVSTJZSA-N 2 0 340.552 3.262 20 0 EGADRP [NH3+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000639068598 461705363 /nfs/dbraw/zinc/70/53/63/461705363.db2.gz XTFQIPWKZXRQMI-IBGZPJMESA-N 2 0 349.478 3.375 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000639085758 461719112 /nfs/dbraw/zinc/71/91/12/461719112.db2.gz IPAKIGCMPUJFEL-ICSRJNTNSA-N 2 0 330.516 3.223 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639089740 461721010 /nfs/dbraw/zinc/72/10/10/461721010.db2.gz DMCSGHMCYOVTPD-UHFFFAOYSA-N 2 0 344.421 3.339 20 0 EGADRP [NH3+]CC1CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000643462197 461734505 /nfs/dbraw/zinc/73/45/05/461734505.db2.gz BXSHRDOBYMXFKZ-UHFFFAOYSA-N 2 0 325.456 3.268 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000639118639 461738399 /nfs/dbraw/zinc/73/83/99/461738399.db2.gz DFIPLVQRGRWRSQ-VQIMIIECSA-N 2 0 334.479 3.287 20 0 EGADRP CC(C)(C)[C@@]1(C[NH+]2CCC(O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000637859269 461742609 /nfs/dbraw/zinc/74/26/09/461742609.db2.gz COALLVRXXCYKKF-OAQYLSRUSA-N 2 0 330.516 3.382 20 0 EGADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643493768 461745492 /nfs/dbraw/zinc/74/54/92/461745492.db2.gz MELVSNGMLZXBKP-LRGNLBRXSA-N 2 0 346.515 3.011 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000643497159 461746836 /nfs/dbraw/zinc/74/68/36/461746836.db2.gz HKAXZNSOOCPHJR-PCCBWWKXSA-N 3 0 327.516 3.019 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000643497160 461747074 /nfs/dbraw/zinc/74/70/74/461747074.db2.gz HKAXZNSOOCPHJR-QHAWAJNXSA-N 3 0 327.516 3.019 20 0 EGADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H](C)[NH3+] ZINC000643527871 461752750 /nfs/dbraw/zinc/75/27/50/461752750.db2.gz UPADQOITIXITHB-DTWKUNHWSA-N 2 0 337.773 3.013 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1C ZINC000643523438 461752941 /nfs/dbraw/zinc/75/29/41/461752941.db2.gz HIXKHFHZFLOUHI-OAHLLOKOSA-N 2 0 337.467 3.414 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000643522760 461753047 /nfs/dbraw/zinc/75/30/47/461753047.db2.gz CQCDEMDHSRSNAM-MXEMCNAFSA-N 2 0 327.516 3.161 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)C2 ZINC000643533751 461754533 /nfs/dbraw/zinc/75/45/33/461754533.db2.gz CSUUFFHTLXGQLF-JKSUJKDBSA-N 2 0 335.289 3.038 20 0 EGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536877 461756159 /nfs/dbraw/zinc/75/61/59/461756159.db2.gz XJQZPQGPDXBROM-LSDHHAIUSA-N 2 0 335.289 3.477 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647543557 461756226 /nfs/dbraw/zinc/75/62/26/461756226.db2.gz PLAKDXICPJYMJX-CABCVRRESA-N 2 0 346.906 3.438 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543381 461756254 /nfs/dbraw/zinc/75/62/54/461756254.db2.gz MDDMGTCGGQBEDY-PMACEKPBSA-N 2 0 346.515 3.314 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543214 461757655 /nfs/dbraw/zinc/75/76/55/461757655.db2.gz JMJSTTVRWHPOCY-UXLLHSPISA-N 2 0 335.517 3.206 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647548685 461760646 /nfs/dbraw/zinc/76/06/46/461760646.db2.gz OWZUJZAPFPZLCI-DMRZNYOFSA-N 2 0 337.305 3.358 20 0 EGADRP CN(CCCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000653615227 461761562 /nfs/dbraw/zinc/76/15/62/461761562.db2.gz NXTXHEOOMRZUIW-GOSISDBHSA-N 2 0 332.492 3.041 20 0 EGADRP Brc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647549550 461762544 /nfs/dbraw/zinc/76/25/44/461762544.db2.gz HDGWSTDREDHKDM-RRFJBIMHSA-N 2 0 349.316 3.458 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000647552311 461764982 /nfs/dbraw/zinc/76/49/82/461764982.db2.gz QLWWIUJOQXCTHB-STQMWFEESA-N 2 0 340.393 3.166 20 0 EGADRP CCOc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639244182 461823366 /nfs/dbraw/zinc/82/33/66/461823366.db2.gz IFYUNGGBTIWRTC-QGZVFWFLSA-N 2 0 348.531 3.089 20 0 EGADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1OC(F)F ZINC000647789663 461835492 /nfs/dbraw/zinc/83/54/92/461835492.db2.gz ITLKPJYZKZJUMY-VHDGCEQUSA-N 2 0 340.414 3.164 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000647788944 461835512 /nfs/dbraw/zinc/83/55/12/461835512.db2.gz VRVNRHALMZMYAS-LZLXCTOHSA-N 2 0 327.472 3.074 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)C1 ZINC000647788979 461835718 /nfs/dbraw/zinc/83/57/18/461835718.db2.gz WIAGPFYFIIKBSB-HLRQEUIKSA-N 3 0 341.543 3.396 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000666858097 461838621 /nfs/dbraw/zinc/83/86/21/461838621.db2.gz WVJFWTOQWKDNHA-CQSZACIVSA-N 2 0 339.886 3.175 20 0 EGADRP Cc1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540518 461840630 /nfs/dbraw/zinc/84/06/30/461840630.db2.gz RPQVCOOWAXVFEO-OAQYLSRUSA-N 2 0 336.483 3.191 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000663884757 461855179 /nfs/dbraw/zinc/85/51/79/461855179.db2.gz ZSWWLBGEEMZMLN-LAUBAEHRSA-N 2 0 343.515 3.019 20 0 EGADRP COc1ccc(C2([NH2+]CCCC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000647892359 461873430 /nfs/dbraw/zinc/87/34/30/461873430.db2.gz ZOQHYSDYBWFCIH-UHFFFAOYSA-N 2 0 332.488 3.070 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC000656784885 461894327 /nfs/dbraw/zinc/89/43/27/461894327.db2.gz HZGURTDXBKCNEO-OAHLLOKOSA-N 2 0 346.906 3.438 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000666975908 461895590 /nfs/dbraw/zinc/89/55/90/461895590.db2.gz GTKPRHKHLIJEMD-HXUWFJFHSA-N 2 0 337.467 3.149 20 0 EGADRP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706325 461899789 /nfs/dbraw/zinc/89/97/89/461899789.db2.gz IUCMASZUXZZYJQ-OFQRWUPVSA-N 2 0 337.533 3.159 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707335 461901765 /nfs/dbraw/zinc/90/17/65/461901765.db2.gz CXKTZLUFFKGJCQ-RZQQEMMASA-N 2 0 328.456 3.460 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995112 461903528 /nfs/dbraw/zinc/90/35/28/461903528.db2.gz DKYYQXLPZPRVKX-WBVHZDCISA-N 2 0 329.488 3.230 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998301 461905316 /nfs/dbraw/zinc/90/53/16/461905316.db2.gz MVCBYTYYYIXDJQ-MJGOQNOKSA-N 2 0 330.472 3.009 20 0 EGADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656044 461907206 /nfs/dbraw/zinc/90/72/06/461907206.db2.gz PHWSLNWVDIUELN-OAQYLSRUSA-N 2 0 343.515 3.440 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000660655411 461907630 /nfs/dbraw/zinc/90/76/30/461907630.db2.gz MCNMZLIMNFWLKX-GOSISDBHSA-N 2 0 335.879 3.086 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723758 461916228 /nfs/dbraw/zinc/91/62/28/461916228.db2.gz SXTGZEQEHXQZOI-DFQSSKMNSA-N 2 0 332.488 3.335 20 0 EGADRP COc1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cc2c1 ZINC000650723878 461916482 /nfs/dbraw/zinc/91/64/82/461916482.db2.gz VHYQIZIWZCWITN-QKYXUNIQSA-N 2 0 344.455 3.302 20 0 EGADRP CC1(C)Cc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2O1 ZINC000650723917 461916774 /nfs/dbraw/zinc/91/67/74/461916774.db2.gz VTYSIHROIQMPFI-NSHGMRRFSA-N 2 0 344.499 3.261 20 0 EGADRP c1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cs1 ZINC000647976959 461919170 /nfs/dbraw/zinc/91/91/70/461919170.db2.gz WJHXPMHLIVCCTK-KGLIPLIRSA-N 2 0 332.473 3.010 20 0 EGADRP c1ccc(CCOCCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978269 461920105 /nfs/dbraw/zinc/92/01/05/461920105.db2.gz PDUYKVLTKQZJMO-NHCUHLMSSA-N 2 0 330.516 3.347 20 0 EGADRP COc1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CCCCC2)cc1OC ZINC000647991290 461926541 /nfs/dbraw/zinc/92/65/41/461926541.db2.gz WGSDZIVYGONRGJ-QGZVFWFLSA-N 2 0 332.488 3.448 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)CC2 ZINC000650754612 461935253 /nfs/dbraw/zinc/93/52/53/461935253.db2.gz MLPYINCAKZWSFY-QGZVFWFLSA-N 2 0 330.403 3.079 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763545 461942129 /nfs/dbraw/zinc/94/21/29/461942129.db2.gz DCXZBHCUESEODS-AWEZNQCLSA-N 2 0 337.895 3.345 20 0 EGADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000667099671 461949191 /nfs/dbraw/zinc/94/91/91/461949191.db2.gz OXHLRGAXWYUXQW-ZFWWWQNUSA-N 2 0 344.390 3.038 20 0 EGADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1)C[NH+](C)C ZINC000644411894 461950407 /nfs/dbraw/zinc/95/04/07/461950407.db2.gz IBRIARZHXIJRLQ-CQSZACIVSA-N 2 0 326.444 3.121 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000639514335 461963260 /nfs/dbraw/zinc/96/32/60/461963260.db2.gz OYDHCKLWWWOHTF-UHFFFAOYSA-N 2 0 346.519 3.478 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000644550722 461982654 /nfs/dbraw/zinc/98/26/54/461982654.db2.gz SRXVJDIZHZOUGZ-IWCQGFGOSA-N 2 0 348.453 3.465 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H]2CCOC2)CC3)cc1 ZINC000639727524 462078648 /nfs/dbraw/zinc/07/86/48/462078648.db2.gz VLJJORYEYZXYSG-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1C ZINC000664596641 462119229 /nfs/dbraw/zinc/11/92/29/462119229.db2.gz JXAWCNRYVTXZBD-QGZVFWFLSA-N 2 0 339.483 3.141 20 0 EGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000664723124 462160575 /nfs/dbraw/zinc/16/05/75/462160575.db2.gz UUYLMKNONYKINN-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP c1ccc([C@@H]2C[C@H]2C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657537223 462172177 /nfs/dbraw/zinc/17/21/77/462172177.db2.gz DBANAGSLSDDTDF-FPOVZHCZSA-N 2 0 328.500 3.271 20 0 EGADRP COc1ccc(C[C@H]2CCC[N@H+](Cc3cnc4n3CCC4)C2)cc1 ZINC000667621020 462177017 /nfs/dbraw/zinc/17/70/17/462177017.db2.gz XKUNLDHBGVMVAQ-QGZVFWFLSA-N 2 0 325.456 3.293 20 0 EGADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000667664603 462198307 /nfs/dbraw/zinc/19/83/07/462198307.db2.gz OUZWHOAYLBGQGA-DOADOZAASA-N 2 0 348.535 3.175 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)C[C@@H]1C ZINC000667664831 462199781 /nfs/dbraw/zinc/19/97/81/462199781.db2.gz UENOTVZBGOTSHP-QRFRQXIXSA-N 2 0 332.488 3.159 20 0 EGADRP COc1cc(C)ccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612621 462204355 /nfs/dbraw/zinc/20/43/55/462204355.db2.gz BJUZCNKEKVJQST-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)Nc3cccc(C[NH3+])c3)CC2)CC1 ZINC000667724010 462230937 /nfs/dbraw/zinc/23/09/37/462230937.db2.gz RYYOZTDFSRMJQF-UHFFFAOYSA-N 2 0 344.503 3.310 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cccc(C[NH3+])c3)C2)CC1 ZINC000667729585 462234406 /nfs/dbraw/zinc/23/44/06/462234406.db2.gz NPNMWFLZOJYEQR-SFHVURJKSA-N 2 0 344.503 3.121 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)CC[N@@H+]1C ZINC000648736160 462252294 /nfs/dbraw/zinc/25/22/94/462252294.db2.gz KOOKLXSSBFYNEL-MBOZVWFJSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@@H+]1C ZINC000648755674 462264062 /nfs/dbraw/zinc/26/40/62/462264062.db2.gz PJJGHJXEXMAIJB-YLJYHZDGSA-N 2 0 343.515 3.019 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000645331454 462288631 /nfs/dbraw/zinc/28/86/31/462288631.db2.gz DDTUZLUSKGUIHC-UHFFFAOYSA-N 2 0 339.483 3.159 20 0 EGADRP c1nnn(-c2ccccc2)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000651700868 462308750 /nfs/dbraw/zinc/30/87/50/462308750.db2.gz XJZNWSVTRXHABN-UHFFFAOYSA-N 2 0 327.476 3.013 20 0 EGADRP CCOC1CCC(Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000657949678 462327106 /nfs/dbraw/zinc/32/71/06/462327106.db2.gz KLWVTRRQJWFLDW-UHFFFAOYSA-N 2 0 346.519 3.372 20 0 EGADRP COc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069022 462366685 /nfs/dbraw/zinc/36/66/85/462366685.db2.gz JPFWFZPYEPVLFE-QGZVFWFLSA-N 2 0 346.515 3.107 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](CC)C(C)C)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000649001991 462366883 /nfs/dbraw/zinc/36/68/83/462366883.db2.gz YZCAKGVJDQUNKT-HXUWFJFHSA-N 2 0 345.531 3.473 20 0 EGADRP FC(F)C1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000658071228 462367741 /nfs/dbraw/zinc/36/77/41/462367741.db2.gz VZXSUAJAMXXQOT-UHFFFAOYSA-N 2 0 330.463 3.291 20 0 EGADRP c1ccc(C[NH+]2CCC(N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC2)cc1 ZINC000665250025 462369162 /nfs/dbraw/zinc/36/91/62/462369162.db2.gz FUWMRTPITANCMB-DHIUTWEWSA-N 2 0 349.522 3.386 20 0 EGADRP c1ccc([C@@H]2C[C@@H](NC[C@H]3CCC[N@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299670 462391668 /nfs/dbraw/zinc/39/16/68/462391668.db2.gz RBEKVVXIJUTFAH-GIVPXCGWSA-N 3 0 327.516 3.191 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1(CO)CC1 ZINC000658157338 462409650 /nfs/dbraw/zinc/40/96/50/462409650.db2.gz YPKRJVGHTGEGCE-MTFMMBMASA-N 2 0 328.500 3.038 20 0 EGADRP Cc1nc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000658168414 462417030 /nfs/dbraw/zinc/41/70/30/462417030.db2.gz WXNNYCAMHAEDAK-AWEZNQCLSA-N 2 0 330.501 3.409 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658297917 462463802 /nfs/dbraw/zinc/46/38/02/462463802.db2.gz BOFYZDQIPRGQNS-ZIFCJYIRSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658297909 462464229 /nfs/dbraw/zinc/46/42/29/462464229.db2.gz BOFYZDQIPRGQNS-LMMKCTJWSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000658352596 462486859 /nfs/dbraw/zinc/48/68/59/462486859.db2.gz HBXHSCBASVXSHK-MRXNPFEDSA-N 2 0 343.515 3.161 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000178414872 533917848 /nfs/dbraw/zinc/91/78/48/533917848.db2.gz HXKVOIGIVONPIA-INIZCTEOSA-N 2 0 329.513 3.346 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000131184900 527964285 /nfs/dbraw/zinc/96/42/85/527964285.db2.gz PHHDVTSEIFTBQE-GOSISDBHSA-N 2 0 347.547 3.398 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000132543299 529016764 /nfs/dbraw/zinc/01/67/64/529016764.db2.gz XKPOEVJDOCHMBE-OALUTQOASA-N 2 0 335.923 3.189 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000191395561 529041358 /nfs/dbraw/zinc/04/13/58/529041358.db2.gz HJCNWBKXYTZKRN-NRFANRHFSA-N 2 0 329.532 3.110 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159355339 529340712 /nfs/dbraw/zinc/34/07/12/529340712.db2.gz UIIKFXGRJXWORO-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246854805 534958921 /nfs/dbraw/zinc/95/89/21/534958921.db2.gz CRGOLICRHGGMCK-IAGOWNOFSA-N 2 0 329.488 3.196 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000354602893 535556578 /nfs/dbraw/zinc/55/65/78/535556578.db2.gz PSQVEVJBVUTUJC-IBGZPJMESA-N 2 0 347.503 3.220 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000338046321 535589053 /nfs/dbraw/zinc/58/90/53/535589053.db2.gz BTLOZXIECCOBLJ-INIZCTEOSA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000344798182 535594132 /nfs/dbraw/zinc/59/41/32/535594132.db2.gz BKQRWXIWQHUKII-SJLPKXTDSA-N 2 0 329.492 3.257 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](CC)C2)cc1)C1CC1 ZINC000338066756 535782102 /nfs/dbraw/zinc/78/21/02/535782102.db2.gz GMNBPJJYNXLAKC-SFHVURJKSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)no1 ZINC000090911267 546660573 /nfs/dbraw/zinc/66/05/73/546660573.db2.gz CIEAYBGONLGCPO-DJIMGWMZSA-N 2 0 326.444 3.057 20 0 EGADRP COC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093338140 546684853 /nfs/dbraw/zinc/68/48/53/546684853.db2.gz LFJYMVWOFKZNRQ-IBGZPJMESA-N 2 0 332.488 3.020 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC1 ZINC000122862398 546736524 /nfs/dbraw/zinc/73/65/24/546736524.db2.gz RZJPNDQKBTWXSQ-UHFFFAOYSA-N 2 0 332.488 3.199 20 0 EGADRP CCC[NH+]1CCC(NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000123088752 546737636 /nfs/dbraw/zinc/73/76/36/546737636.db2.gz RELJSDMWSKKKHS-NRFANRHFSA-N 2 0 329.532 3.287 20 0 EGADRP CC[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000123134187 546738941 /nfs/dbraw/zinc/73/89/41/546738941.db2.gz KFVUCWJIVXSTAK-DYESRHJHSA-N 2 0 329.532 3.143 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166039420 546987405 /nfs/dbraw/zinc/98/74/05/546987405.db2.gz UATDODAKWUSSOA-NHCUHLMSSA-N 2 0 327.516 3.389 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000324100596 547471913 /nfs/dbraw/zinc/47/19/13/547471913.db2.gz CKGBETWMVXQINC-CQSZACIVSA-N 2 0 343.437 3.382 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339067842 547568966 /nfs/dbraw/zinc/56/89/66/547568966.db2.gz JMBYSRPTJQBOLI-HBFSDRIKSA-N 2 0 343.515 3.049 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352793150 547687251 /nfs/dbraw/zinc/68/72/51/547687251.db2.gz KZFBSYPAGYRFOO-KRWDZBQOSA-N 2 0 334.529 3.486 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)CC2 ZINC000358915628 547747927 /nfs/dbraw/zinc/74/79/27/547747927.db2.gz PKGDGTNFIUFIIK-GOSISDBHSA-N 2 0 332.488 3.403 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000386188101 547823685 /nfs/dbraw/zinc/82/36/85/547823685.db2.gz VPZOGVQOMFDYRP-ZDUSSCGKSA-N 2 0 327.875 3.156 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000387024451 547824078 /nfs/dbraw/zinc/82/40/78/547824078.db2.gz JAOMDZAACRYSMS-ZDUSSCGKSA-N 2 0 327.875 3.156 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000390420055 547826088 /nfs/dbraw/zinc/82/60/88/547826088.db2.gz PRBUFTJYOCHKHT-QHAWAJNXSA-N 2 0 338.499 3.332 20 0 EGADRP Brc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000414830843 547860585 /nfs/dbraw/zinc/86/05/85/547860585.db2.gz MJKBCDWLQQMWCW-GFCCVEGCSA-N 2 0 334.261 3.087 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414927299 547861072 /nfs/dbraw/zinc/86/10/72/547861072.db2.gz OTWZUMWTDHPIFX-GJZGRUSLSA-N 2 0 334.414 3.127 20 0 EGADRP CO[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441375351 547914640 /nfs/dbraw/zinc/91/46/40/547914640.db2.gz HXIRXQRACJRKKI-SEXKYXSUSA-N 2 0 326.525 3.155 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000670782292 548235529 /nfs/dbraw/zinc/23/55/29/548235529.db2.gz BMDFCMPBPQOHBT-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP c1ccc2cc(OCC[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC000675499953 548930172 /nfs/dbraw/zinc/93/01/72/548930172.db2.gz KLCDHAFOHFEIMX-UHFFFAOYSA-N 2 0 333.435 3.436 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000675741758 548971901 /nfs/dbraw/zinc/97/19/01/548971901.db2.gz HSEPOUFPXPUZHK-FQEVSTJZSA-N 2 0 331.548 3.178 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000675743437 548972342 /nfs/dbraw/zinc/97/23/42/548972342.db2.gz KCNSXPPWWOPYNF-FXAWDEMLSA-N 2 0 338.499 3.148 20 0 EGADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)C3CC[NH+](C)CC3)ccc2NC1=O ZINC000675924676 549006161 /nfs/dbraw/zinc/00/61/61/549006161.db2.gz NWMBJQIBJWFOPH-GLJUWKHASA-N 2 0 345.487 3.177 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000676530385 549106693 /nfs/dbraw/zinc/10/66/93/549106693.db2.gz ULIAHGNWCCYAIJ-QGZVFWFLSA-N 2 0 349.519 3.219 20 0 EGADRP Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678125941 549402717 /nfs/dbraw/zinc/40/27/17/549402717.db2.gz YBKWTDZZLJSXAH-HXUWFJFHSA-N 2 0 327.472 3.303 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000678284295 549458612 /nfs/dbraw/zinc/45/86/12/549458612.db2.gz ABWQLEFLRRVGME-VQTJNVASSA-N 2 0 344.499 3.020 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000678599149 549528256 /nfs/dbraw/zinc/52/82/56/549528256.db2.gz VIXXSMVBJFWFSN-ACRUOGEOSA-N 2 0 328.500 3.340 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(CO)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000678929963 549597859 /nfs/dbraw/zinc/59/78/59/549597859.db2.gz SDMQXRCOEZUKKQ-KRWDZBQOSA-N 2 0 342.483 3.013 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@@H](C)C3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000678999958 549613295 /nfs/dbraw/zinc/61/32/95/549613295.db2.gz HAGQFQMSGLMWOR-SFHVURJKSA-N 2 0 344.547 3.279 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000680001638 549804183 /nfs/dbraw/zinc/80/41/83/549804183.db2.gz PGYJZNWPRAHGNT-UHFFFAOYSA-N 2 0 332.536 3.482 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000680055221 549812852 /nfs/dbraw/zinc/81/28/52/549812852.db2.gz PIKVXBDUBXOMKB-GOSISDBHSA-N 2 0 338.499 3.068 20 0 EGADRP COC[C@@H]1CCCC[NH+](C/C=C\C[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000681038571 549945391 /nfs/dbraw/zinc/94/53/91/549945391.db2.gz UUWMDEHGOFWGFV-JSXPQOMVSA-N 2 0 338.536 3.040 20 0 EGADRP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685442216 550417009 /nfs/dbraw/zinc/41/70/09/550417009.db2.gz HZGWFWPXMHZCPC-MJGOQNOKSA-N 2 0 334.504 3.143 20 0 EGADRP C/C(=C/c1ccccc1)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000685455297 550418211 /nfs/dbraw/zinc/41/82/11/550418211.db2.gz PZSYECQHLUBNFW-MNDPQUGUSA-N 2 0 327.516 3.049 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000685457271 550419182 /nfs/dbraw/zinc/41/91/82/550419182.db2.gz RJIPGDOUGDNDTQ-OXJNMPFZSA-N 2 0 333.495 3.030 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000309947796 574981063 /nfs/dbraw/zinc/98/10/63/574981063.db2.gz ZHPLQTMMPBXAIH-KLAILNCOSA-N 2 0 339.524 3.142 20 0 EGADRP c1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1Cc1ccccc1 ZINC000678343045 576167176 /nfs/dbraw/zinc/16/71/76/576167176.db2.gz LTYMULCUNBSFFD-KDURUIRLSA-N 2 0 331.463 3.341 20 0 EGADRP CN(c1ccccc1C[NH2+][C@@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000678996178 576172338 /nfs/dbraw/zinc/17/23/38/576172338.db2.gz ZLXHNMZTJSHTPJ-MRXNPFEDSA-N 2 0 337.458 3.494 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000679219006 576175847 /nfs/dbraw/zinc/17/58/47/576175847.db2.gz PDQVOCMHNFRMJN-OAQYLSRUSA-N 2 0 329.532 3.239 20 0 EGADRP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000305892779 1297064555 /nfs/dbraw/zinc/06/45/55/1297064555.db2.gz OMHMJSJJPJABRI-HOTGVXAUSA-N 2 0 339.524 3.238 20 0 EGADRP CC(C)Oc1ccccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000062253165 1291984814 /nfs/dbraw/zinc/98/48/14/1291984814.db2.gz SMWYIEUUBDZWJX-ROUUACIJSA-N 2 0 334.504 3.453 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(Cl)c(F)c2)C[C@@H](C)O1 ZINC000067452616 1292160937 /nfs/dbraw/zinc/16/09/37/1292160937.db2.gz GSARAGKDDQXRIW-ZIAGYGMSSA-N 2 0 328.859 3.458 20 0 EGADRP CCc1oc2ccccc2c1C[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000067671489 1292167423 /nfs/dbraw/zinc/16/74/23/1292167423.db2.gz QTVUCIVCPOKLCE-INIZCTEOSA-N 2 0 329.488 3.111 20 0 EGADRP CC(C)(C)[NH2+]CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000828233676 1292444785 /nfs/dbraw/zinc/44/47/85/1292444785.db2.gz GZTOYUYUMHLGCI-UHFFFAOYSA-N 2 0 345.531 3.183 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000080374328 1292597198 /nfs/dbraw/zinc/59/71/98/1292597198.db2.gz OGJUZWGVGWVNLI-UHFFFAOYSA-N 2 0 341.503 3.319 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)N1CC[NH+](C)CC1 ZINC000105466326 1293039396 /nfs/dbraw/zinc/03/93/96/1293039396.db2.gz UVHAFAZGONXDCQ-HNNXBMFYSA-N 2 0 347.503 3.280 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000109068318 1293087241 /nfs/dbraw/zinc/08/72/41/1293087241.db2.gz ATMORPCHHQKTCT-QGZVFWFLSA-N 2 0 343.515 3.162 20 0 EGADRP O=c1cc(C[NH+]2CCC(n3ccnc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000111244271 1293102038 /nfs/dbraw/zinc/10/20/38/1293102038.db2.gz BTQFWTSURNCPNA-UHFFFAOYSA-N 2 0 349.434 3.315 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834615624 1293122807 /nfs/dbraw/zinc/12/28/07/1293122807.db2.gz GOZAQRLGPXRZSZ-LUKYLMHMSA-N 2 0 339.524 3.237 20 0 EGADRP COC1([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000834789565 1293148948 /nfs/dbraw/zinc/14/89/48/1293148948.db2.gz DBKDNZUWSOAUPJ-ICSRJNTNSA-N 2 0 346.515 3.072 20 0 EGADRP CC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC[NH2+]C1 ZINC000119578654 1293278226 /nfs/dbraw/zinc/27/82/26/1293278226.db2.gz SUQPTNBUJLDKFN-LPHOPBHVSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1)c1ccccc1 ZINC000119917435 1293294735 /nfs/dbraw/zinc/29/47/35/1293294735.db2.gz WSXWUCFLKRQKLV-QGZVFWFLSA-N 2 0 343.515 3.251 20 0 EGADRP Brc1ccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)s1 ZINC000123985741 1293462911 /nfs/dbraw/zinc/46/29/11/1293462911.db2.gz LDPWYUIGCGXNRL-UHFFFAOYSA-N 2 0 337.286 3.446 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(CN2CCSC2=O)CC1 ZINC000125515068 1293510199 /nfs/dbraw/zinc/51/01/99/1293510199.db2.gz CUGMBRDRIRZPES-HNNXBMFYSA-N 2 0 325.522 3.089 20 0 EGADRP Cc1cc(Cl)ccc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000130379462 1293654552 /nfs/dbraw/zinc/65/45/52/1293654552.db2.gz IIKPIKULMQBOIG-UHFFFAOYSA-N 2 0 333.863 3.274 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132850637 1293730246 /nfs/dbraw/zinc/73/02/46/1293730246.db2.gz PCXGGWWCLUTSNP-MJGOQNOKSA-N 2 0 346.515 3.107 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000150983674 1293901682 /nfs/dbraw/zinc/90/16/82/1293901682.db2.gz NZZBUWMYTWXDNA-QGZVFWFLSA-N 2 0 330.472 3.295 20 0 EGADRP Cc1cccc(C[NH+]2CCC(NC(=O)c3ccn4c[nH+]cc4c3)CC2)c1 ZINC000151480136 1293925830 /nfs/dbraw/zinc/92/58/30/1293925830.db2.gz CVMFFTGIOXXIBE-UHFFFAOYSA-N 2 0 348.450 3.037 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000154564059 1294060528 /nfs/dbraw/zinc/06/05/28/1294060528.db2.gz WNSHJPFRMRSJAV-HOTGVXAUSA-N 2 0 341.540 3.390 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000155806594 1294114080 /nfs/dbraw/zinc/11/40/80/1294114080.db2.gz DFQDYBPSKCMCOL-MRXNPFEDSA-N 2 0 342.462 3.132 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(C)cs2)[C@H](C)C1 ZINC000157268247 1294173047 /nfs/dbraw/zinc/17/30/47/1294173047.db2.gz KBYIAJJRCFOTLV-WBVHZDCISA-N 2 0 339.549 3.111 20 0 EGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000160500533 1294269592 /nfs/dbraw/zinc/26/95/92/1294269592.db2.gz AYUVVWDJWZOGIB-INMHGKMJSA-N 2 0 339.524 3.237 20 0 EGADRP CCC[NH+]1CCC(N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000161588971 1294295559 /nfs/dbraw/zinc/29/55/59/1294295559.db2.gz QXOFORBFZSJSGL-HNNXBMFYSA-N 2 0 331.460 3.168 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000165884968 1294359861 /nfs/dbraw/zinc/35/98/61/1294359861.db2.gz AJGZQHFEIIZBSK-LJQANCHMSA-N 2 0 343.515 3.209 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](CO)C(C)C)cc1C[NH+]1CCCCC1 ZINC000183083220 1295096851 /nfs/dbraw/zinc/09/68/51/1295096851.db2.gz VKQWVVPRPFGULT-QFBILLFUSA-N 2 0 334.504 3.349 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000222890068 1296130809 /nfs/dbraw/zinc/13/08/09/1296130809.db2.gz AGEZIXSYBDJRME-JKSUJKDBSA-N 2 0 327.513 3.144 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)c2)CC1 ZINC000870911799 1296137482 /nfs/dbraw/zinc/13/74/82/1296137482.db2.gz OCIXOCAQMKVBNB-KDURUIRLSA-N 2 0 343.515 3.417 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000236719493 1296198504 /nfs/dbraw/zinc/19/85/04/1296198504.db2.gz JDEHIYAZQPPOPX-UHFFFAOYSA-N 2 0 332.488 3.306 20 0 EGADRP CCCC1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000236806219 1296202435 /nfs/dbraw/zinc/20/24/35/1296202435.db2.gz WFJQQWGDXMTVSW-UHFFFAOYSA-N 2 0 330.520 3.282 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C[C@H](C)O1 ZINC000237609914 1296251688 /nfs/dbraw/zinc/25/16/88/1296251688.db2.gz RXNOYKWBHAMSQT-CALCHBBNSA-N 2 0 346.515 3.379 20 0 EGADRP [NH3+]C1(c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)CCCC1 ZINC000261618851 1296596397 /nfs/dbraw/zinc/59/63/97/1296596397.db2.gz BOCNXMKGBJYVKP-UHFFFAOYSA-N 2 0 326.444 3.177 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000261969116 1296612917 /nfs/dbraw/zinc/61/29/17/1296612917.db2.gz CNCRZIKMNVPCHX-UHFFFAOYSA-N 2 0 330.394 3.406 20 0 EGADRP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000305777301 1297048784 /nfs/dbraw/zinc/04/87/84/1297048784.db2.gz PLBWQFVQIBMPII-WOJBJXKFSA-N 2 0 330.516 3.322 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000323185578 1297196295 /nfs/dbraw/zinc/19/62/95/1297196295.db2.gz QJPDRRFRJHOODU-MRXNPFEDSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)[C@H](n2cncn2)C1 ZINC000340471169 1297313631 /nfs/dbraw/zinc/31/36/31/1297313631.db2.gz CETWIQPAEAYWQF-YDZRNGNQSA-N 2 0 333.524 3.110 20 0 EGADRP Clc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208196 1297351745 /nfs/dbraw/zinc/35/17/45/1297351745.db2.gz DXVVZDRIEJCOOK-KRWDZBQOSA-N 2 0 347.915 3.194 20 0 EGADRP [NH3+]C[C@@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc2ccccc2c1 ZINC000873213339 1297355024 /nfs/dbraw/zinc/35/50/24/1297355024.db2.gz VYOCECGSCRNXES-LJQANCHMSA-N 2 0 337.492 3.337 20 0 EGADRP COC(=O)c1coc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232144 1297372210 /nfs/dbraw/zinc/37/22/10/1297372210.db2.gz LKRXJQZUIPHBDA-KDOFPFPSSA-N 2 0 334.460 3.186 20 0 EGADRP c1cn(-c2csc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)c2)cn1 ZINC000873232553 1297374548 /nfs/dbraw/zinc/37/45/48/1297374548.db2.gz GQPGRZARIVJDFZ-KRWDZBQOSA-N 2 0 330.501 3.336 20 0 EGADRP COc1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C(C)C)c(Br)c1 ZINC000873249253 1297389969 /nfs/dbraw/zinc/38/99/69/1297389969.db2.gz JNIMMYWMMKTYEW-OZVIIMIRSA-N 2 0 341.293 3.482 20 0 EGADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257463 1297393481 /nfs/dbraw/zinc/39/34/81/1297393481.db2.gz SLTBSSYBOPFRGK-BPUTZDHNSA-N 2 0 325.294 3.487 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260096 1297394140 /nfs/dbraw/zinc/39/41/40/1297394140.db2.gz SCNDGEMWKBHAON-ONIAQPFYSA-N 2 0 329.488 3.086 20 0 EGADRP Fc1ccc([C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccnc2)cc1 ZINC000873265472 1297398840 /nfs/dbraw/zinc/39/88/40/1297398840.db2.gz VOUCXIBMFYOQPX-ZVEHZALQSA-N 2 0 325.431 3.430 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)oc21 ZINC000873292380 1297414056 /nfs/dbraw/zinc/41/40/56/1297414056.db2.gz QSYZIGNYRWIUIL-GDBMZVCRSA-N 2 0 344.455 3.251 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)oc21 ZINC000873292387 1297414068 /nfs/dbraw/zinc/41/40/68/1297414068.db2.gz QSYZIGNYRWIUIL-HOCLYGCPSA-N 2 0 344.455 3.251 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000355859082 1297460547 /nfs/dbraw/zinc/46/05/47/1297460547.db2.gz VYOWXUYYXDUNFM-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H](O)c1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379635189 1297536298 /nfs/dbraw/zinc/53/62/98/1297536298.db2.gz QLMUNTVGXLWJGF-OXQOHEQNSA-N 2 0 330.447 3.359 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000379621068 1297536395 /nfs/dbraw/zinc/53/63/95/1297536395.db2.gz DWUJDHSECWWRAP-DYESRHJHSA-N 2 0 337.467 3.092 20 0 EGADRP CCCN1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548711 1297610402 /nfs/dbraw/zinc/61/04/02/1297610402.db2.gz NMGDOFHUBBXSED-IAGOWNOFSA-N 2 0 337.305 3.380 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000391574212 1297643604 /nfs/dbraw/zinc/64/36/04/1297643604.db2.gz YEQVCYAQHIYPEA-MRXNPFEDSA-N 2 0 330.394 3.060 20 0 EGADRP CCCN1CC[C@H]([NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511973 1297731710 /nfs/dbraw/zinc/73/17/10/1297731710.db2.gz LTSHBNNPMBICRD-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP CCCN1CC[C@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000401319616 1297739431 /nfs/dbraw/zinc/73/94/31/1297739431.db2.gz IFJAHHZIGDPHJX-SFHVURJKSA-N 2 0 347.503 3.285 20 0 EGADRP CC(C)[C@H](O)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000691898614 1298139640 /nfs/dbraw/zinc/13/96/40/1298139640.db2.gz MTXGSLNJLCPRDT-HXUWFJFHSA-N 2 0 330.516 3.382 20 0 EGADRP C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1)C1CC[NH+](C)CC1 ZINC000699594513 1298171463 /nfs/dbraw/zinc/17/14/63/1298171463.db2.gz BARDNHOFGVACNP-HNNXBMFYSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]1C[C@@H](N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000709341858 1298248574 /nfs/dbraw/zinc/24/85/74/1298248574.db2.gz GQYHBKFYMHBOFX-DKPZUSDMSA-N 2 0 327.516 3.158 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000715187458 1298278412 /nfs/dbraw/zinc/27/84/12/1298278412.db2.gz WKDIGPJTMFAQLQ-ORBLRFAASA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000715551191 1298280587 /nfs/dbraw/zinc/28/05/87/1298280587.db2.gz GOZAQRLGPXRZSZ-VVLHAWIVSA-N 2 0 339.524 3.237 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000717579804 1298303575 /nfs/dbraw/zinc/30/35/75/1298303575.db2.gz PISHEHFXXBELHV-OAQYLSRUSA-N 3 0 329.532 3.220 20 0 EGADRP [NH3+]CCCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000746291715 1298564153 /nfs/dbraw/zinc/56/41/53/1298564153.db2.gz KVSBCVFTFYVMOK-QGZVFWFLSA-N 2 0 337.895 3.112 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876940939 1299078455 /nfs/dbraw/zinc/07/84/55/1299078455.db2.gz BLXUFYCUEKURII-QFUCXCTJSA-N 2 0 347.547 3.022 20 0 EGADRP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000877007106 1299111868 /nfs/dbraw/zinc/11/18/68/1299111868.db2.gz CZNGNYAWQIRQGJ-CVEARBPZSA-N 2 0 327.299 3.334 20 0 EGADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CCCC1 ZINC000877450192 1299309326 /nfs/dbraw/zinc/30/93/26/1299309326.db2.gz ZFUCVMHDYINOMF-NSEAXLEKSA-N 2 0 347.547 3.053 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)C1CC[NH2+]CC1 ZINC000877450147 1299309748 /nfs/dbraw/zinc/30/97/48/1299309748.db2.gz YKQQVVOWPDLSPW-UWVAXJGDSA-N 2 0 349.563 3.158 20 0 EGADRP CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000877795944 1299562734 /nfs/dbraw/zinc/56/27/34/1299562734.db2.gz BEUIHIUUHDBORE-LJQANCHMSA-N 2 0 346.515 3.144 20 0 EGADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CS1 ZINC000754124921 1300091567 /nfs/dbraw/zinc/09/15/67/1300091567.db2.gz UNEIDOFBVCHOSW-ZACQAIPSSA-N 2 0 326.550 3.140 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCCC[NH+]1CCCC1 ZINC000754191694 1300102529 /nfs/dbraw/zinc/10/25/29/1300102529.db2.gz BQNJOLWVGQXBQO-UHFFFAOYSA-N 2 0 345.531 3.279 20 0 EGADRP CCC1(N2CCOCC2)CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000879060851 1300346142 /nfs/dbraw/zinc/34/61/42/1300346142.db2.gz HDYWQDHPHYMHFY-KRWDZBQOSA-N 2 0 338.536 3.157 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247502 1300451386 /nfs/dbraw/zinc/45/13/86/1300451386.db2.gz CFWZSWWWNQDRJJ-GOSISDBHSA-N 2 0 343.515 3.438 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)C2([NH+](C)C)CCC2)c2ccccc2)CC1 ZINC000763030693 1301808533 /nfs/dbraw/zinc/80/85/33/1301808533.db2.gz RPLHNCLSNHXTBV-LJQANCHMSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000764638996 1302107034 /nfs/dbraw/zinc/10/70/34/1302107034.db2.gz NVBANMULBIEFNU-OAHLLOKOSA-N 2 0 331.460 3.168 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000769685175 1303157315 /nfs/dbraw/zinc/15/73/15/1303157315.db2.gz QTHJKLBJUOOUBL-IXDOHACOSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769681253 1303157410 /nfs/dbraw/zinc/15/74/10/1303157410.db2.gz NZHMCNHXYOTTNS-HOTGVXAUSA-N 2 0 327.513 3.144 20 0 EGADRP O=C(OCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000770382409 1303258575 /nfs/dbraw/zinc/25/85/75/1303258575.db2.gz ODXUAUJOIWQOGO-SFHVURJKSA-N 2 0 348.462 3.067 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000886519138 1303484708 /nfs/dbraw/zinc/48/47/08/1303484708.db2.gz OWTATPNDCUPJKI-UHFFFAOYSA-N 2 0 329.479 3.103 20 0 EGADRP CN(C(=O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000886537197 1303491339 /nfs/dbraw/zinc/49/13/39/1303491339.db2.gz VVIQYQFOBFKCRU-UHFFFAOYSA-N 2 0 335.536 3.164 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000886640319 1303535388 /nfs/dbraw/zinc/53/53/88/1303535388.db2.gz WPBIUNMHYWINFH-MWXLCCTBSA-N 3 0 333.564 3.495 20 0 EGADRP C[C@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000772951952 1303597470 /nfs/dbraw/zinc/59/74/70/1303597470.db2.gz PUHUSYKKPYZJEB-CMPLNLGQSA-N 2 0 330.259 3.004 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000886839701 1303617408 /nfs/dbraw/zinc/61/74/08/1303617408.db2.gz KMUNQOHBMUUMCM-ZIBCJSCZSA-N 2 0 346.515 3.058 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)ccc1OC ZINC000775399169 1303956392 /nfs/dbraw/zinc/95/63/92/1303956392.db2.gz AFEMMCMSOFFCMC-IAGOWNOFSA-N 2 0 344.503 3.473 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2ccccc2[nH]1 ZINC000775626251 1303997052 /nfs/dbraw/zinc/99/70/52/1303997052.db2.gz BGYSUUGGACSPOJ-VHKYSDTDSA-N 2 0 327.472 3.196 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000781640496 1304853357 /nfs/dbraw/zinc/85/33/57/1304853357.db2.gz HSOSSRYZMMGTAS-NRFANRHFSA-N 2 0 347.462 3.091 20 0 EGADRP C[C@H]1C[C@H]([N@H+](C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000782185494 1304927525 /nfs/dbraw/zinc/92/75/25/1304927525.db2.gz XRTUKEFUOLTOEX-GHTZIAJQSA-N 2 0 329.532 3.313 20 0 EGADRP COc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C)CC2)c1 ZINC000891813421 1305175655 /nfs/dbraw/zinc/17/56/55/1305175655.db2.gz AUIMFMHHFBOAKG-FQEVSTJZSA-N 2 0 332.488 3.018 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000892146931 1305267645 /nfs/dbraw/zinc/26/76/45/1305267645.db2.gz ZYXOSOIGSCQPJN-UHFFFAOYSA-N 2 0 348.535 3.179 20 0 EGADRP CCn1cc(CNCc2ccccc2C[N@H+](C)C2CCCCC2)nn1 ZINC000892653713 1305490137 /nfs/dbraw/zinc/49/01/37/1305490137.db2.gz LWHMJCYBIYUOEU-UHFFFAOYSA-N 2 0 341.503 3.352 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000892676490 1305501686 /nfs/dbraw/zinc/50/16/86/1305501686.db2.gz MUUQNMVPUSZQOA-UHFFFAOYSA-N 2 0 329.419 3.444 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788538982 1305965719 /nfs/dbraw/zinc/96/57/19/1305965719.db2.gz JKYKVMRGWKYDFS-INIZCTEOSA-N 2 0 343.471 3.359 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)[NH2+]CC3CC[NH+](C)CC3)n2)ccc1F ZINC000893979361 1306160262 /nfs/dbraw/zinc/16/02/62/1306160262.db2.gz JKUUZKPDNFWSKE-CYBMUJFWSA-N 2 0 332.423 3.177 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC000790049259 1306253993 /nfs/dbraw/zinc/25/39/93/1306253993.db2.gz NPOKPJASOLLTPW-HXUWFJFHSA-N 2 0 338.495 3.489 20 0 EGADRP CC(C)(C)[C@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364150 1306308254 /nfs/dbraw/zinc/30/82/54/1306308254.db2.gz FAZCNVVRULTQOV-JXFKEZNVSA-N 2 0 349.519 3.009 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(Cl)nc3)cc2)CC1 ZINC000790635197 1306365022 /nfs/dbraw/zinc/36/50/22/1306365022.db2.gz LDLNOSIZUWIJEQ-UHFFFAOYSA-N 2 0 345.874 3.498 20 0 EGADRP C[NH+]1CCC(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000894481995 1308914903 /nfs/dbraw/zinc/91/49/03/1308914903.db2.gz VLRIOAATOOWWEL-MRXNPFEDSA-N 2 0 331.287 3.348 20 0 EGADRP Cc1ccc([C@@H](O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791622007 1309035494 /nfs/dbraw/zinc/03/54/94/1309035494.db2.gz NWYSOOPYLZDGJF-BDTNDASRSA-N 2 0 336.479 3.092 20 0 EGADRP Cc1nn2c(C[N@H+](C)CCCC[NH+]3CCCCC3)c(C)nc2s1 ZINC000895683225 1309463479 /nfs/dbraw/zinc/46/34/79/1309463479.db2.gz JQGAMBIYMCQGHL-UHFFFAOYSA-N 2 0 335.521 3.106 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(N2CCCC2)nc1 ZINC000895682581 1309463515 /nfs/dbraw/zinc/46/35/15/1309463515.db2.gz HGCCQUBGNNPFHH-UHFFFAOYSA-N 2 0 330.520 3.380 20 0 EGADRP CCn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000895693441 1309470058 /nfs/dbraw/zinc/47/00/58/1309470058.db2.gz CQKBJIQMIPBIEF-APWZRJJASA-N 2 0 326.488 3.069 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895922597 1309593376 /nfs/dbraw/zinc/59/33/76/1309593376.db2.gz HPVKBUOESYUQTA-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000896388476 1309834055 /nfs/dbraw/zinc/83/40/55/1309834055.db2.gz WWKYMFJZNHTQQW-JDEYZFBPSA-N 2 0 340.483 3.007 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000798957089 1310463756 /nfs/dbraw/zinc/46/37/56/1310463756.db2.gz MYRYWIDIVICSIF-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000898704498 1310827566 /nfs/dbraw/zinc/82/75/66/1310827566.db2.gz VJEYOBVVHYBTGX-OALUTQOASA-N 2 0 331.504 3.446 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000839182171 1320888222 /nfs/dbraw/zinc/88/82/22/1320888222.db2.gz LHZQMHUHSNECLE-DLBZAZTESA-N 2 0 341.540 3.105 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc(CC[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000857254841 1328525308 /nfs/dbraw/zinc/52/53/08/1328525308.db2.gz NBXCOGKMCNPDST-INIZCTEOSA-N 2 0 340.471 3.265 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801915282 1316964924 /nfs/dbraw/zinc/96/49/24/1316964924.db2.gz LWBABDIAASXPCV-IRXDYDNUSA-N 2 0 327.582 3.009 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018938716 1316981170 /nfs/dbraw/zinc/98/11/70/1316981170.db2.gz ZJJXTHNNIAIABL-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001019032314 1317014395 /nfs/dbraw/zinc/01/43/95/1317014395.db2.gz PNXJLGODPWQRLT-FFZOFVMBSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019076303 1317036170 /nfs/dbraw/zinc/03/61/70/1317036170.db2.gz UVXPDDTVLBFNPS-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001019259500 1317132077 /nfs/dbraw/zinc/13/20/77/1317132077.db2.gz MECMASPQUKILEP-WBAXXEDZSA-N 2 0 349.906 3.076 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001019381310 1317205729 /nfs/dbraw/zinc/20/57/29/1317205729.db2.gz FLRKRZUJKJPGGP-OALUTQOASA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957560935 1317458542 /nfs/dbraw/zinc/45/85/42/1317458542.db2.gz AQRXELLLANSZSP-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000806172358 1317468153 /nfs/dbraw/zinc/46/81/53/1317468153.db2.gz KGTSENHAUNYIHV-QGZVFWFLSA-N 2 0 342.405 3.203 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605727 1317492264 /nfs/dbraw/zinc/49/22/64/1317492264.db2.gz LAVZXYSXRUKHQA-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621116 1317501445 /nfs/dbraw/zinc/50/14/45/1317501445.db2.gz YZWNDCDDJPNSDO-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001020144080 1317559079 /nfs/dbraw/zinc/55/90/79/1317559079.db2.gz PUYJDZGAIZMPFA-AFYVEPGGSA-N 2 0 343.515 3.166 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)c1ccccc1 ZINC001020143996 1317559261 /nfs/dbraw/zinc/55/92/61/1317559261.db2.gz NJKUSQWBXUAARB-MUGJNUQGSA-N 2 0 343.515 3.247 20 0 EGADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000902351561 1317566244 /nfs/dbraw/zinc/56/62/44/1317566244.db2.gz ZRWIRUJENBJWPK-GOSISDBHSA-N 2 0 330.520 3.186 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000902439983 1317579116 /nfs/dbraw/zinc/57/91/16/1317579116.db2.gz WBBKYKZXZWYELU-PSMQTCRGSA-N 2 0 327.516 3.244 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1)C(C)C ZINC000957712971 1317583265 /nfs/dbraw/zinc/58/32/65/1317583265.db2.gz DGDUIZSGYHWODS-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000902833028 1317622443 /nfs/dbraw/zinc/62/24/43/1317622443.db2.gz UMPVVPLZUWABOV-FPOVZHCZSA-N 2 0 346.515 3.081 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1)C(C)C ZINC000957773031 1317637182 /nfs/dbraw/zinc/63/71/82/1317637182.db2.gz WACUNEXARCEEIO-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000957778027 1317641138 /nfs/dbraw/zinc/64/11/38/1317641138.db2.gz KRIZCVSKKLMSPG-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903067221 1317646631 /nfs/dbraw/zinc/64/66/31/1317646631.db2.gz ONKMVLYOLVXLBV-VCSGRIEYSA-N 2 0 336.483 3.179 20 0 EGADRP C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1([NH+]2CCSCC2)CCCC1 ZINC000903065005 1317646988 /nfs/dbraw/zinc/64/69/88/1317646988.db2.gz FWUHSEMNYOLCJM-JLYLLQBASA-N 2 0 349.588 3.095 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903076879 1317647967 /nfs/dbraw/zinc/64/79/67/1317647967.db2.gz VLPLCAORRCWEJJ-PYVWZIQOSA-N 2 0 333.564 3.490 20 0 EGADRP CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)c1cccc(OC)c1 ZINC000903723097 1317724171 /nfs/dbraw/zinc/72/41/71/1317724171.db2.gz SWDIKXSWYDPZMG-LPHOPBHVSA-N 2 0 332.488 3.237 20 0 EGADRP c1c2ccccc2[nH]c1C1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903726701 1317726161 /nfs/dbraw/zinc/72/61/61/1317726161.db2.gz NGAUMNZIASPDJV-GHTZIAJQSA-N 2 0 339.483 3.116 20 0 EGADRP Clc1ccc(C2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903751436 1317730015 /nfs/dbraw/zinc/73/00/15/1317730015.db2.gz FDBYWBLJRYQSLY-OALUTQOASA-N 2 0 334.891 3.288 20 0 EGADRP C(=C/[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)\c1ccccc1 ZINC000903788455 1317734507 /nfs/dbraw/zinc/73/45/07/1317734507.db2.gz LJFQPZBPEBVYAB-GUKSKWGUSA-N 2 0 326.484 3.323 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794448 1317736889 /nfs/dbraw/zinc/73/68/89/1317736889.db2.gz VLOUVHFUTUPLPI-KRWDZBQOSA-N 2 0 337.467 3.006 20 0 EGADRP OCC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(Cl)c(F)c1 ZINC000903935408 1317752244 /nfs/dbraw/zinc/75/22/44/1317752244.db2.gz OXACWXLCSLROPU-LJQANCHMSA-N 2 0 348.849 3.338 20 0 EGADRP CC[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000903980094 1317760360 /nfs/dbraw/zinc/76/03/60/1317760360.db2.gz HBLYMUIWHYYDFQ-UIFIKXQLSA-N 2 0 327.516 3.081 20 0 EGADRP C[C@]1(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000904320606 1317830157 /nfs/dbraw/zinc/83/01/57/1317830157.db2.gz MVPIOSDLJWEOKC-MOPGFXCFSA-N 2 0 336.907 3.475 20 0 EGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904364509 1317835959 /nfs/dbraw/zinc/83/59/59/1317835959.db2.gz YHFJQMFGTPNOJQ-UPQHMETBSA-N 2 0 328.431 3.445 20 0 EGADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000904360699 1317836636 /nfs/dbraw/zinc/83/66/36/1317836636.db2.gz OJSQMDLZQKVTNX-HNNXBMFYSA-N 2 0 349.494 3.174 20 0 EGADRP CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000958794828 1317849285 /nfs/dbraw/zinc/84/92/85/1317849285.db2.gz NMLMRWDENAPJHS-FQEVSTJZSA-N 2 0 348.450 3.072 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020675807 1317852559 /nfs/dbraw/zinc/85/25/59/1317852559.db2.gz GKTGHPHPDFVWIM-LEAZDLGRSA-N 2 0 343.515 3.247 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001020678988 1317856458 /nfs/dbraw/zinc/85/64/58/1317856458.db2.gz DSRYEZQGGYOQIV-WDSOQIARSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+](C2CCC2)C1 ZINC000904595351 1317867263 /nfs/dbraw/zinc/86/72/63/1317867263.db2.gz BGPSIILFXLRTEM-OAHLLOKOSA-N 2 0 344.503 3.219 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH3+])C1 ZINC000904661386 1317878109 /nfs/dbraw/zinc/87/81/09/1317878109.db2.gz SYEJFKYBDDDKLR-IRXDYDNUSA-N 2 0 344.503 3.264 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000904664771 1317878180 /nfs/dbraw/zinc/87/81/80/1317878180.db2.gz JODIAEFDMVHHMA-UHFFFAOYSA-N 2 0 338.455 3.063 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2C[NH3+])C1 ZINC000904661384 1317878746 /nfs/dbraw/zinc/87/87/46/1317878746.db2.gz SYEJFKYBDDDKLR-DLBZAZTESA-N 2 0 344.503 3.264 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000904664803 1317879374 /nfs/dbraw/zinc/87/93/74/1317879374.db2.gz KJBXVJGLOJKHGX-LJQANCHMSA-N 2 0 338.455 3.104 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000809735522 1317883185 /nfs/dbraw/zinc/88/31/85/1317883185.db2.gz JRFLPCOOROMPQR-ARFHVFGLSA-N 2 0 346.462 3.064 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001020719590 1317885741 /nfs/dbraw/zinc/88/57/41/1317885741.db2.gz MUAOQQUTKOJGDC-LWYYNNOASA-N 2 0 347.547 3.211 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905070025 1317918181 /nfs/dbraw/zinc/91/81/81/1317918181.db2.gz WWHBKOMZMOUYKG-INIZCTEOSA-N 2 0 331.287 3.348 20 0 EGADRP C[C@@](O)(C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C(F)F ZINC000905073339 1317919653 /nfs/dbraw/zinc/91/96/53/1317919653.db2.gz WDOAWBFMQXDSCO-GOSISDBHSA-N 2 0 326.431 3.168 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001021049590 1318060175 /nfs/dbraw/zinc/06/01/75/1318060175.db2.gz QQBPTJGRGVVWAS-LDTOTXGLSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)CCC[NH2+][C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000858345702 1328741663 /nfs/dbraw/zinc/74/16/63/1328741663.db2.gz SJPITDAGHSXJHK-DLBZAZTESA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001021256463 1318160839 /nfs/dbraw/zinc/16/08/39/1318160839.db2.gz CJAVHSPQZLVYJR-YQQQUEKLSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021281873 1318170097 /nfs/dbraw/zinc/17/00/97/1318170097.db2.gz PJPKJIAWOILXAZ-SEBOWIOWSA-N 2 0 347.547 3.161 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)CC1 ZINC000811748197 1318252526 /nfs/dbraw/zinc/25/25/26/1318252526.db2.gz UKHUUKMFLBEZRI-SFHVURJKSA-N 2 0 335.536 3.035 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605788 1318452771 /nfs/dbraw/zinc/45/27/71/1318452771.db2.gz NMNHOHAMBXURKX-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858491124 1328777948 /nfs/dbraw/zinc/77/79/48/1328777948.db2.gz YSMPWPRZEYYFAS-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491371 1328778581 /nfs/dbraw/zinc/77/85/81/1328778581.db2.gz GHVKAGCBZICMHD-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](CC)CC[C@@H]32)o1 ZINC001021741970 1318651664 /nfs/dbraw/zinc/65/16/64/1318651664.db2.gz BDANEMDETHTRMA-AEFFLSMTSA-N 2 0 347.503 3.068 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C)CC1CCCCC1 ZINC000960686937 1318792131 /nfs/dbraw/zinc/79/21/31/1318792131.db2.gz ZEGAHXSODIGIEF-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001022082780 1318793331 /nfs/dbraw/zinc/79/33/31/1318793331.db2.gz FLKFMELLGDXGDA-HDICACEKSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022196297 1318837227 /nfs/dbraw/zinc/83/72/27/1318837227.db2.gz NOPLOBDTWVLAMB-WKXIVMOISA-N 2 0 349.563 3.027 20 0 EGADRP CC1(C)CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001022202507 1318841527 /nfs/dbraw/zinc/84/15/27/1318841527.db2.gz ZOKOBTGGJYSXCA-ZIFCJYIRSA-N 2 0 347.547 3.066 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001022278003 1318872835 /nfs/dbraw/zinc/87/28/35/1318872835.db2.gz FFRUWUKKWQSPOZ-ZGXWSNOMSA-N 2 0 347.547 3.211 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960785025 1318884996 /nfs/dbraw/zinc/88/49/96/1318884996.db2.gz CZKVNVTZNGCKTN-LJQANCHMSA-N 2 0 347.547 3.284 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001022885790 1319150582 /nfs/dbraw/zinc/15/05/82/1319150582.db2.gz PYHUTQRPJDYNPP-KDURUIRLSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001023124255 1319272814 /nfs/dbraw/zinc/27/28/14/1319272814.db2.gz DODTWLYYKISGJC-RWQQGDIJSA-N 2 0 335.536 3.066 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)c1 ZINC001023126104 1319273560 /nfs/dbraw/zinc/27/35/60/1319273560.db2.gz HUUHNVRGSFFGGK-BGYRXZFFSA-N 2 0 341.499 3.099 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H]1C[NH3+] ZINC000817879642 1319451018 /nfs/dbraw/zinc/45/10/18/1319451018.db2.gz DNEHILRJOLKCDL-HBUWYVDXSA-N 2 0 340.467 3.087 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000817905513 1319456500 /nfs/dbraw/zinc/45/65/00/1319456500.db2.gz JIHGITNBLMOILO-RAEVTNRLSA-N 2 0 326.843 3.023 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926388 1319463187 /nfs/dbraw/zinc/46/31/87/1319463187.db2.gz HVLRFIJJZOGWQM-VMXABPDPSA-N 2 0 345.270 3.159 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000817925119 1319463674 /nfs/dbraw/zinc/46/36/74/1319463674.db2.gz RMPMXHKCYJGHDM-OTBHMBEGSA-N 2 0 331.504 3.112 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817934758 1319465241 /nfs/dbraw/zinc/46/52/41/1319465241.db2.gz CHDRJCGOXMIIIR-INIZCTEOSA-N 3 0 331.504 3.084 20 0 EGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC ZINC000817948582 1319473554 /nfs/dbraw/zinc/47/35/54/1319473554.db2.gz IJTSRTNDELLVQQ-HOTGVXAUSA-N 2 0 342.483 3.487 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CCC([NH3+])CC2)ccc1OC ZINC000817947011 1319473873 /nfs/dbraw/zinc/47/38/73/1319473873.db2.gz JMURRGFMPCWKQP-MNNVXMFVSA-N 3 0 333.520 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023367234 1319478724 /nfs/dbraw/zinc/47/87/24/1319478724.db2.gz XOVCYKUHSOVMOJ-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP COc1ccc([C@H](C)NC[C@@H]([NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817964881 1319480048 /nfs/dbraw/zinc/48/00/48/1319480048.db2.gz IICCKQCCCRWPLE-HNAYVOBHSA-N 2 0 331.504 3.069 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001023377403 1319486047 /nfs/dbraw/zinc/48/60/47/1319486047.db2.gz KVIVQIHJZFXKMZ-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961372893 1319527478 /nfs/dbraw/zinc/52/74/78/1319527478.db2.gz DXEDBNQKDJDLLG-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)c2cc1C ZINC000818340423 1319530916 /nfs/dbraw/zinc/53/09/16/1319530916.db2.gz MJIQXHGTVAUHQJ-INIZCTEOSA-N 2 0 340.467 3.374 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961375491 1319531076 /nfs/dbraw/zinc/53/10/76/1319531076.db2.gz VIPZOSHTODLLPQ-MISYRCLQSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CCC3CC3)C2)CC1)[NH+](C)C ZINC000961376075 1319533410 /nfs/dbraw/zinc/53/34/10/1319533410.db2.gz CJGPUIVZINIHFF-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961377797 1319535477 /nfs/dbraw/zinc/53/54/77/1319535477.db2.gz ZYZJPKLBFNKLGI-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961395040 1319549965 /nfs/dbraw/zinc/54/99/65/1319549965.db2.gz VNQSZRFFELJOQC-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(C[NH3+])c1 ZINC000818608706 1319568813 /nfs/dbraw/zinc/56/88/13/1319568813.db2.gz BTSHIAIIUYLNNV-UHFFFAOYSA-N 2 0 345.874 3.003 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431756 1319585311 /nfs/dbraw/zinc/58/53/11/1319585311.db2.gz MPZYABONSXHPIA-AZUAARDMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434304 1319586889 /nfs/dbraw/zinc/58/68/89/1319586889.db2.gz DZWBLHMKPUPODN-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000818960012 1319590886 /nfs/dbraw/zinc/59/08/86/1319590886.db2.gz VSCVIXJSIRTBLW-RDTXWAMCSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cc1Cl)C[NH+]1CCCCC1 ZINC000818969676 1319596849 /nfs/dbraw/zinc/59/68/49/1319596849.db2.gz RURGGUAVJIDVNX-GUYCJALGSA-N 2 0 328.859 3.224 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C(C)(C)C ZINC000819080832 1319631100 /nfs/dbraw/zinc/63/11/00/1319631100.db2.gz IYRUTNQRSBQJMR-HZPDHXFCSA-N 2 0 330.875 3.469 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819105273 1319637113 /nfs/dbraw/zinc/63/71/13/1319637113.db2.gz CWEBISCJZDZDQC-KRWDZBQOSA-N 2 0 328.859 3.224 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000961917574 1319774080 /nfs/dbraw/zinc/77/40/80/1319774080.db2.gz UQZFSUSRCZZRRT-GPJFCIFZSA-N 2 0 349.563 3.029 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001023696350 1319820319 /nfs/dbraw/zinc/82/03/19/1319820319.db2.gz LCUXLMPNOVSVJF-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)C1 ZINC000962217242 1319864022 /nfs/dbraw/zinc/86/40/22/1319864022.db2.gz RCAQSGHEIVYZLY-IOJLRTSASA-N 2 0 347.547 3.093 20 0 EGADRP C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000822919822 1320137188 /nfs/dbraw/zinc/13/71/88/1320137188.db2.gz KWRCIKJNXUMGGP-MAUKXSAKSA-N 2 0 340.471 3.434 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000839183092 1320888455 /nfs/dbraw/zinc/88/84/55/1320888455.db2.gz SXEJUSDEDFJKGR-OAGGEKHMSA-N 2 0 346.462 3.065 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000839183202 1320888465 /nfs/dbraw/zinc/88/84/65/1320888465.db2.gz UVGRTUROMDEQKX-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2CCC(C)(C)C2=O)CC1)CC1CC1 ZINC000840044234 1321018452 /nfs/dbraw/zinc/01/84/52/1321018452.db2.gz WFKIAIYLDOBMCT-UHFFFAOYSA-N 2 0 335.536 3.036 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000841006426 1321198735 /nfs/dbraw/zinc/19/87/35/1321198735.db2.gz KMAXRHYPHPMYJM-SPYBWZPUSA-N 2 0 336.907 3.474 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(CC[NH3+])cc3)CC2)C1 ZINC000841032448 1321204413 /nfs/dbraw/zinc/20/44/13/1321204413.db2.gz SZRQTDBJQJLJRY-UWJYYQICSA-N 3 0 329.532 3.321 20 0 EGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032230 1321204559 /nfs/dbraw/zinc/20/45/59/1321204559.db2.gz PNTDEVPVBKTTAE-MRXNPFEDSA-N 2 0 325.456 3.003 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(CC[NH3+])cc3)CC2)C1 ZINC000841032446 1321204820 /nfs/dbraw/zinc/20/48/20/1321204820.db2.gz SZRQTDBJQJLJRY-UTKZUKDTSA-N 3 0 329.532 3.321 20 0 EGADRP Fc1ccccc1COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000841034893 1321205222 /nfs/dbraw/zinc/20/52/22/1321205222.db2.gz DYFSORNRWSZUEF-QGZVFWFLSA-N 2 0 328.431 3.494 20 0 EGADRP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215117 1328947791 /nfs/dbraw/zinc/94/77/91/1328947791.db2.gz ZQEKGIBOPRPUEX-KSZLIROESA-N 2 0 345.531 3.358 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 ZINC000843057923 1321463702 /nfs/dbraw/zinc/46/37/02/1321463702.db2.gz YWQJQSWAWCKGOP-UHFFFAOYSA-N 2 0 349.910 3.487 20 0 EGADRP Clc1ccccc1Cn1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000843120208 1321473240 /nfs/dbraw/zinc/47/32/40/1321473240.db2.gz XUIOTKZTQULKTL-UHFFFAOYSA-N 2 0 344.890 3.160 20 0 EGADRP [NH3+]C[C@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)c1ccccc1 ZINC000843181487 1321483054 /nfs/dbraw/zinc/48/30/54/1321483054.db2.gz CWADWNDFFLFPPF-IBGZPJMESA-N 2 0 348.450 3.423 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000843343921 1321502919 /nfs/dbraw/zinc/50/29/19/1321502919.db2.gz LNHMVNGAFUADHF-HNNXBMFYSA-N 2 0 339.439 3.343 20 0 EGADRP CCN(C(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000843353019 1321504492 /nfs/dbraw/zinc/50/44/92/1321504492.db2.gz RFILKNDAYPLAJJ-UHFFFAOYSA-N 2 0 339.483 3.394 20 0 EGADRP C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843354993 1321504660 /nfs/dbraw/zinc/50/46/60/1321504660.db2.gz IDEOMZKMQBYNCX-UHFFFAOYSA-N 2 0 349.494 3.155 20 0 EGADRP C[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843354743 1321505059 /nfs/dbraw/zinc/50/50/59/1321505059.db2.gz GBFQPLFQOUWDHJ-KVULBXGLSA-N 2 0 337.533 3.153 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000843363541 1321506903 /nfs/dbraw/zinc/50/69/03/1321506903.db2.gz UNSYPIMNCDSFAE-UHFFFAOYSA-N 2 0 328.456 3.231 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000844202465 1321577926 /nfs/dbraw/zinc/57/79/26/1321577926.db2.gz GHVVYHIWZSOLEO-SFHVURJKSA-N 2 0 337.552 3.399 20 0 EGADRP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCCCCCC[NH3+])cn1 ZINC000844221313 1321579837 /nfs/dbraw/zinc/57/98/37/1321579837.db2.gz CJWXANCJILGPMD-LJQANCHMSA-N 2 0 332.467 3.490 20 0 EGADRP [NH2+]=C(NCc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849056324 1322060491 /nfs/dbraw/zinc/06/04/91/1322060491.db2.gz CNJRFOWVDCNQPG-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000849091875 1322074815 /nfs/dbraw/zinc/07/48/15/1322074815.db2.gz OEPXZVNRGBIHRX-CYBMUJFWSA-N 2 0 342.409 3.051 20 0 EGADRP CC(C)[NH+](CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C(C)C ZINC000849098530 1322077378 /nfs/dbraw/zinc/07/73/78/1322077378.db2.gz UHTHYKSENUCLJW-UHFFFAOYSA-N 2 0 348.491 3.293 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850429218 1322247651 /nfs/dbraw/zinc/24/76/51/1322247651.db2.gz CEPXANKNFUIPNP-MRXNPFEDSA-N 2 0 332.488 3.163 20 0 EGADRP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922390145 1322516901 /nfs/dbraw/zinc/51/69/01/1322516901.db2.gz KYRIMHPCUOJMDX-MKXGPGLRSA-N 2 0 336.907 3.218 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922391763 1322517264 /nfs/dbraw/zinc/51/72/64/1322517264.db2.gz ZKZVJUGMBYPHDO-YRXWBPOGSA-N 2 0 336.545 3.270 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922393616 1322518163 /nfs/dbraw/zinc/51/81/63/1322518163.db2.gz MPFHLFJDQUPBTR-YRXWBPOGSA-N 2 0 336.545 3.270 20 0 EGADRP C[C@H]([NH3+])CN(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000859619406 1329036665 /nfs/dbraw/zinc/03/66/65/1329036665.db2.gz GZVLHKQCUPYIQY-HNNXBMFYSA-N 2 0 332.492 3.262 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000922847819 1322631602 /nfs/dbraw/zinc/63/16/02/1322631602.db2.gz FQHLSVDHQZEKGN-UHFFFAOYSA-N 2 0 332.879 3.484 20 0 EGADRP O[C@H](c1ccc(F)cc1)C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923313254 1322731643 /nfs/dbraw/zinc/73/16/43/1322731643.db2.gz RDXIKGFMFOUIKY-OTXKMZSGSA-N 2 0 346.490 3.492 20 0 EGADRP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481854 1322760182 /nfs/dbraw/zinc/76/01/82/1322760182.db2.gz MUJBRRLJDRAMSF-OCCSQVGLSA-N 2 0 334.851 3.046 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851813385 1323096424 /nfs/dbraw/zinc/09/64/24/1323096424.db2.gz UXOXRZVUYXKBBF-FXAWDEMLSA-N 2 0 331.504 3.092 20 0 EGADRP CCCOCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924707658 1323125711 /nfs/dbraw/zinc/12/57/11/1323125711.db2.gz VQXKJVVCIOPXAT-SEJPIABJSA-N 2 0 346.515 3.345 20 0 EGADRP COCC[NH+]1CCC(N[C@@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924788147 1323163130 /nfs/dbraw/zinc/16/31/30/1323163130.db2.gz LPPGQIDKLVVIME-NRFANRHFSA-N 2 0 339.483 3.180 20 0 EGADRP C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924879666 1323197399 /nfs/dbraw/zinc/19/73/99/1323197399.db2.gz OVDCXVVCWZJMNK-KRWDZBQOSA-N 2 0 331.504 3.192 20 0 EGADRP CC(=O)Nc1ccc(CC[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000924944280 1323222504 /nfs/dbraw/zinc/22/25/04/1323222504.db2.gz PBGXGHRZSHCCTC-UHFFFAOYSA-N 2 0 331.504 3.288 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000925089802 1323276899 /nfs/dbraw/zinc/27/68/99/1323276899.db2.gz SHAUVDZOGMKFMW-LJQANCHMSA-N 2 0 343.515 3.171 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCCC2)CC[N@@H+]1C ZINC001024446657 1323405880 /nfs/dbraw/zinc/40/58/80/1323405880.db2.gz HURZEEQGAPFGSM-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024468642 1323422594 /nfs/dbraw/zinc/42/25/94/1323422594.db2.gz LYQGYGPGNCIWJI-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024469649 1323425693 /nfs/dbraw/zinc/42/56/93/1323425693.db2.gz VGPOFGTWWFFLLM-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)cs1 ZINC001024513439 1323463147 /nfs/dbraw/zinc/46/31/47/1323463147.db2.gz QAWYCISGWHNLKC-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530019 1323474965 /nfs/dbraw/zinc/47/49/65/1323474965.db2.gz BLXRYFBRJWSCAW-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001024633901 1323560231 /nfs/dbraw/zinc/56/02/31/1323560231.db2.gz OJHPOACAZYVKGN-QLOJAFMTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711196 1323619245 /nfs/dbraw/zinc/61/92/45/1323619245.db2.gz IAFMKJQRTRNQMQ-APWZRJJASA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810936 1323713520 /nfs/dbraw/zinc/71/35/20/1323713520.db2.gz LJRCAUDZAFHFCT-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024959215 1323800480 /nfs/dbraw/zinc/80/04/80/1323800480.db2.gz PZDHCIMORGOQHR-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CCCCN2C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001024963285 1323803030 /nfs/dbraw/zinc/80/30/30/1323803030.db2.gz KWBBOCSUBZIHFN-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000931440800 1329118362 /nfs/dbraw/zinc/11/83/62/1329118362.db2.gz LNPCIQVFULTWON-MSOLQXFVSA-N 2 0 337.467 3.052 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001025168619 1323936921 /nfs/dbraw/zinc/93/69/21/1323936921.db2.gz PXRQOJNGRQBAKA-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485458 1329128618 /nfs/dbraw/zinc/12/86/18/1329128618.db2.gz IZWDLZNRDNSDRZ-CYBMUJFWSA-N 2 0 330.394 3.155 20 0 EGADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001025525416 1324371126 /nfs/dbraw/zinc/37/11/26/1324371126.db2.gz NYJXYVKACLLQLC-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025529079 1324376751 /nfs/dbraw/zinc/37/67/51/1324376751.db2.gz YLGXKKUJVQPQMF-YLJYHZDGSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025585813 1324427635 /nfs/dbraw/zinc/42/76/35/1324427635.db2.gz SLWWADHEWCDSOM-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025585814 1324427645 /nfs/dbraw/zinc/42/76/45/1324427645.db2.gz SLWWADHEWCDSOM-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627767 1324478981 /nfs/dbraw/zinc/47/89/81/1324478981.db2.gz LJGNCCLNQKAQGQ-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026503237 1324853599 /nfs/dbraw/zinc/85/35/99/1324853599.db2.gz OPMZFTZTEZPRPF-SOAGJPPSSA-N 2 0 343.515 3.078 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026506794 1324855379 /nfs/dbraw/zinc/85/53/79/1324855379.db2.gz GJHLVGPLJXKONS-ACBHZAAOSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026515833 1324862703 /nfs/dbraw/zinc/86/27/03/1324862703.db2.gz LQEJHJZGNGDEAA-SOAGJPPSSA-N 2 0 349.563 3.458 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCCC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001026533857 1324871672 /nfs/dbraw/zinc/87/16/72/1324871672.db2.gz MNQRPIQXNQUOMG-MHJFOBGBSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026548344 1324885157 /nfs/dbraw/zinc/88/51/57/1324885157.db2.gz VTPQKTMXPNLUSG-FAFZWHIHSA-N 2 0 335.536 3.209 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026571738 1324904413 /nfs/dbraw/zinc/90/44/13/1324904413.db2.gz JQOGCEHJSPSHMP-MHJFOBGBSA-N 2 0 349.563 3.457 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC3CCC(C)(C)CC3)CC2)C1 ZINC001026605672 1324928214 /nfs/dbraw/zinc/92/82/14/1324928214.db2.gz YAKVBEVAGMNXJM-VIQWUECVSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026610830 1324932524 /nfs/dbraw/zinc/93/25/24/1324932524.db2.gz VJIAFWYAKLZOEA-MHJFOBGBSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310267 1325094868 /nfs/dbraw/zinc/09/48/68/1325094868.db2.gz CWQAUNVLIMUYHJ-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315764 1325100033 /nfs/dbraw/zinc/10/00/33/1325100033.db2.gz YGFYWPITURMRIO-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3CC[C@H](C4CCCCC4)C3=O)C2)CC1 ZINC000853504725 1325107904 /nfs/dbraw/zinc/10/79/04/1325107904.db2.gz ODVDAOKFJXNLFY-VQTJNVASSA-N 2 0 347.547 3.036 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925278120 1325110994 /nfs/dbraw/zinc/11/09/94/1325110994.db2.gz VMVUFJABSWNJGT-OXJNMPFZSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001026988505 1325127065 /nfs/dbraw/zinc/12/70/65/1325127065.db2.gz IAVPTEWZRBQHAT-MSOLQXFVSA-N 2 0 343.515 3.060 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000925534454 1325196212 /nfs/dbraw/zinc/19/62/12/1325196212.db2.gz MQGQYLGYRPKFAI-RGWLIJMNSA-N 2 0 333.545 3.066 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925554899 1325205911 /nfs/dbraw/zinc/20/59/11/1325205911.db2.gz FALHSQITPDCHOX-KVPLUYHFSA-N 2 0 327.516 3.017 20 0 EGADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925558164 1325208618 /nfs/dbraw/zinc/20/86/18/1325208618.db2.gz NZLYOHZOVQUBPL-WOJBJXKFSA-N 2 0 342.531 3.330 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1 ZINC000925594540 1325226251 /nfs/dbraw/zinc/22/62/51/1325226251.db2.gz DIGDYNKEIIGGLQ-FQEVSTJZSA-N 2 0 345.531 3.091 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c2ccccc21 ZINC000925624797 1325236796 /nfs/dbraw/zinc/23/67/96/1325236796.db2.gz CFTQUWYNYQARDM-ZCNNSNEGSA-N 2 0 341.499 3.242 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000925625662 1325236951 /nfs/dbraw/zinc/23/69/51/1325236951.db2.gz HNNOITLRHNIVAL-GVKYDWODSA-N 2 0 337.870 3.163 20 0 EGADRP Cc1cccc2c1[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000925652930 1325248986 /nfs/dbraw/zinc/24/89/86/1325248986.db2.gz IUOJWQMZTCJNBW-GOSISDBHSA-N 2 0 325.456 3.108 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925666747 1325256262 /nfs/dbraw/zinc/25/62/62/1325256262.db2.gz QXWWZGRLZMZUKF-OALUTQOASA-N 2 0 327.516 3.161 20 0 EGADRP c1cncc([C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)CCO2)c1 ZINC000925697123 1325263453 /nfs/dbraw/zinc/26/34/53/1325263453.db2.gz YTPWABIWCZULRW-FYQPLNBISA-N 2 0 329.488 3.060 20 0 EGADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963564049 1325321936 /nfs/dbraw/zinc/32/19/36/1325321936.db2.gz MJWFSNCWHZWGQA-SOAGJPPSSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000963902203 1325427663 /nfs/dbraw/zinc/42/76/63/1325427663.db2.gz HFJWYFZAODNKDQ-QHGAOEGBSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926148504 1325447938 /nfs/dbraw/zinc/44/79/38/1325447938.db2.gz RPUNKBZAKDKMEC-UTKZUKDTSA-N 2 0 326.484 3.393 20 0 EGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926249753 1325490754 /nfs/dbraw/zinc/49/07/54/1325490754.db2.gz DSSFLFNDYUZNRQ-LAUBAEHRSA-N 2 0 326.484 3.311 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)NC(=O)OC(C)(C)C ZINC000926328373 1325518448 /nfs/dbraw/zinc/51/84/48/1325518448.db2.gz JEBHVFLEPIPPSI-HUUCEWRRSA-N 2 0 335.492 3.312 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000926606367 1327633480 /nfs/dbraw/zinc/63/34/80/1327633480.db2.gz JJKVHZJEYGSFOM-UHFFFAOYSA-N 2 0 331.504 3.045 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001027416842 1327643530 /nfs/dbraw/zinc/64/35/30/1327643530.db2.gz NHXZXYKMDLFDKK-MISYRCLQSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cnnn1-c1ccccc1 ZINC000926732757 1327689651 /nfs/dbraw/zinc/68/96/51/1327689651.db2.gz QQZOAFMCCKCDEK-MRXNPFEDSA-N 2 0 339.487 3.040 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926750945 1327699303 /nfs/dbraw/zinc/69/93/03/1327699303.db2.gz NKTAEDLFKIEBMJ-WMLDXEAASA-N 2 0 325.447 3.128 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1cn(C)cn1 ZINC000926791007 1327719388 /nfs/dbraw/zinc/71/93/88/1327719388.db2.gz NTBLULUIMDCOQM-QGZVFWFLSA-N 2 0 326.488 3.373 20 0 EGADRP CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000927070408 1327840342 /nfs/dbraw/zinc/84/03/42/1327840342.db2.gz ZWQLXLZESJYOBM-OXJNMPFZSA-N 2 0 344.503 3.408 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001027547434 1327852608 /nfs/dbraw/zinc/85/26/08/1327852608.db2.gz SABYGFPOJXSDSQ-YSIASYRMSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001027562969 1327883327 /nfs/dbraw/zinc/88/33/27/1327883327.db2.gz CBBRJEVKLKDJQB-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCC3=CCCCC3)C2)C1 ZINC001027576634 1327912618 /nfs/dbraw/zinc/91/26/18/1327912618.db2.gz SPJDKIQIWPGOEB-UYAOXDASSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001027575940 1327913292 /nfs/dbraw/zinc/91/32/92/1327913292.db2.gz GSLZBSLTQHIGGH-UYAOXDASSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCC3=CCCCC3)C2)C1 ZINC001027576631 1327915118 /nfs/dbraw/zinc/91/51/18/1327915118.db2.gz SPJDKIQIWPGOEB-AZUAARDMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001027694489 1328101161 /nfs/dbraw/zinc/10/11/61/1328101161.db2.gz AERKCTHVCCPCNU-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694642 1328101301 /nfs/dbraw/zinc/10/13/01/1328101301.db2.gz FETBCOXUYSWKRU-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCCC2)CC[N@@H+]1C ZINC001027892864 1328357947 /nfs/dbraw/zinc/35/79/47/1328357947.db2.gz FZUCAZSHPVBWED-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929671 1328407541 /nfs/dbraw/zinc/40/75/41/1328407541.db2.gz HWNKJOLZZMAKTD-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027971354 1328442953 /nfs/dbraw/zinc/44/29/53/1328442953.db2.gz FGYQBJHCVKQWOW-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027971573 1328444153 /nfs/dbraw/zinc/44/41/53/1328444153.db2.gz HPNWOBDHVDQQMT-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027986400 1328458314 /nfs/dbraw/zinc/45/83/14/1328458314.db2.gz WCDXHDIPSDDZBO-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000862481901 1329489771 /nfs/dbraw/zinc/48/97/71/1329489771.db2.gz APACTFOIBBWTRT-HMXCVIKNSA-N 2 0 329.532 3.219 20 0 EGADRP C[NH+](C)CCCCCCC[NH2+]Cc1cccnc1Br ZINC000865431928 1329696688 /nfs/dbraw/zinc/69/66/88/1329696688.db2.gz NRUKZBZAVIAISW-UHFFFAOYSA-N 2 0 328.298 3.446 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865437207 1329697279 /nfs/dbraw/zinc/69/72/79/1329697279.db2.gz CUCVLIQKGJPHPP-AWEZNQCLSA-N 2 0 348.441 3.187 20 0 EGADRP Cc1nccn1CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931794538 1329761486 /nfs/dbraw/zinc/76/14/86/1329761486.db2.gz AMEBQHJFKJEDFR-HXUWFJFHSA-N 2 0 335.455 3.343 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000866469782 1330116560 /nfs/dbraw/zinc/11/65/60/1330116560.db2.gz LDXCHKUCQLPVDB-KRWDZBQOSA-N 2 0 326.488 3.373 20 0 EGADRP C[C@H]1C[N@H+](CC2=CCCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556170 1331971401 /nfs/dbraw/zinc/97/14/01/1331971401.db2.gz WKDZFOBQSPDVIH-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]2CC1)[NH+](C)C ZINC000946642309 1332868770 /nfs/dbraw/zinc/86/87/70/1332868770.db2.gz DJQYHAVJXNZSBF-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807916 1332904635 /nfs/dbraw/zinc/90/46/35/1332904635.db2.gz GMCSKKNHYPIHBG-ZCNNSNEGSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902369 1332928829 /nfs/dbraw/zinc/92/88/29/1332928829.db2.gz MOLVUSHEXLLRRL-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC000947361803 1333103305 /nfs/dbraw/zinc/10/33/05/1333103305.db2.gz RLCSGFPENVLMTB-RHSMWYFYSA-N 2 0 349.544 3.193 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CC1CCCC1 ZINC000947437809 1333127388 /nfs/dbraw/zinc/12/73/88/1333127388.db2.gz SWZYYCYPVYTQAX-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947615827 1333194089 /nfs/dbraw/zinc/19/40/89/1333194089.db2.gz LSMACOHJKQDSEK-AEFFLSMTSA-N 2 0 349.563 3.266 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCCCC3)[C@@H](C)C2)CC1 ZINC000947851865 1333280203 /nfs/dbraw/zinc/28/02/03/1333280203.db2.gz BIPLKEOALWLFSY-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882766 1333290337 /nfs/dbraw/zinc/29/03/37/1333290337.db2.gz WRRBWNSFSWNEEO-IEBWSBKVSA-N 2 0 337.552 3.122 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948374972 1333501003 /nfs/dbraw/zinc/50/10/03/1333501003.db2.gz ZRRVXPMVXHKNCJ-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948416467 1333516619 /nfs/dbraw/zinc/51/66/19/1333516619.db2.gz GKPUOHCDONUUDX-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439761 1333526464 /nfs/dbraw/zinc/52/64/64/1333526464.db2.gz VDYZSDFPIOJJMU-HKUYNNGSSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948439974 1333526588 /nfs/dbraw/zinc/52/65/88/1333526588.db2.gz XWGFNWJPZZRFRC-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000948935242 1333739692 /nfs/dbraw/zinc/73/96/92/1333739692.db2.gz CNSCCGLYIUFCHU-HXUWFJFHSA-N 2 0 348.450 3.074 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000949011772 1333765563 /nfs/dbraw/zinc/76/55/63/1333765563.db2.gz HVEYWHNOEORQMP-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CCC2CCCCC2)C1 ZINC000950063081 1334006207 /nfs/dbraw/zinc/00/62/07/1334006207.db2.gz DBPAONPEPDGUPW-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H](C(=O)N1CC[NH+](CC2CCCCCC2)CC1)[NH+]1CCCCCC1 ZINC000951192152 1334203253 /nfs/dbraw/zinc/20/32/53/1334203253.db2.gz AURSFIFKWLYVIO-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968332749 1335891758 /nfs/dbraw/zinc/89/17/58/1335891758.db2.gz YLMKVOFKALVVTE-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330960 1335892043 /nfs/dbraw/zinc/89/20/43/1335892043.db2.gz ICJSNIIAFCGOCX-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968645386 1335994726 /nfs/dbraw/zinc/99/47/26/1335994726.db2.gz YFCDDIWFXQCSOM-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968645210 1335995124 /nfs/dbraw/zinc/99/51/24/1335995124.db2.gz RCMJYRMGWZQHDI-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647289 1335996366 /nfs/dbraw/zinc/99/63/66/1335996366.db2.gz JYGKEJIWKDRQBA-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)c1ccccc1 ZINC000968673326 1336004811 /nfs/dbraw/zinc/00/48/11/1336004811.db2.gz UPJYEBVGLARJJK-PKOBYXMFSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC001205046754 1370637135 /nfs/dbraw/zinc/63/71/35/1370637135.db2.gz LYEPITKBBGXBJQ-UHFFFAOYSA-N 2 0 341.293 3.407 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCCC1 ZINC000968782271 1336048748 /nfs/dbraw/zinc/04/87/48/1336048748.db2.gz UWJSSETVBNQPQG-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968857148 1336070298 /nfs/dbraw/zinc/07/02/98/1336070298.db2.gz UQFXKXGTKKTFQE-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887807 1336080681 /nfs/dbraw/zinc/08/06/81/1336080681.db2.gz MYYJXWVKMVQBQY-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913607 1336086874 /nfs/dbraw/zinc/08/68/74/1336086874.db2.gz HYPFJWLWTPEVFE-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936503 1336095650 /nfs/dbraw/zinc/09/56/50/1336095650.db2.gz JSQBHGOGXJVNKA-GOSISDBHSA-N 2 0 342.487 3.355 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968971039 1336104979 /nfs/dbraw/zinc/10/49/79/1336104979.db2.gz QTXFTGYXYITJRR-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968990322 1336111916 /nfs/dbraw/zinc/11/19/16/1336111916.db2.gz ASJSXTJMXXZURN-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059809 1336133426 /nfs/dbraw/zinc/13/34/26/1336133426.db2.gz RRBMHMGWCIHBSY-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970028634 1336272985 /nfs/dbraw/zinc/27/29/85/1336272985.db2.gz WGNUDGKCZHKTJO-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970061152 1336274833 /nfs/dbraw/zinc/27/48/33/1336274833.db2.gz WTBMZHDVJKNLKL-JKSUJKDBSA-N 2 0 348.450 3.146 20 0 EGADRP CC(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326354 1336294674 /nfs/dbraw/zinc/29/46/74/1336294674.db2.gz QKUQFGLSZAPWRE-FXAWDEMLSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001005478788 1336358314 /nfs/dbraw/zinc/35/83/14/1336358314.db2.gz ZKURJNRLPYZOKH-SFHVURJKSA-N 2 0 349.544 3.045 20 0 EGADRP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005581271 1336374935 /nfs/dbraw/zinc/37/49/35/1336374935.db2.gz KIPIQUPCRTVWKW-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005580486 1336375168 /nfs/dbraw/zinc/37/51/68/1336375168.db2.gz HCGOZTFJQRRFON-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](F)CC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006132493 1336456839 /nfs/dbraw/zinc/45/68/39/1336456839.db2.gz NXEZRTQQHSFFGS-INIZCTEOSA-N 2 0 349.494 3.033 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006444860 1336507449 /nfs/dbraw/zinc/50/74/49/1336507449.db2.gz XHYCFFSEESAILT-UHFFFAOYSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007500346 1336658321 /nfs/dbraw/zinc/65/83/21/1336658321.db2.gz SHMLDWBUYKVZMQ-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007646789 1336682680 /nfs/dbraw/zinc/68/26/80/1336682680.db2.gz QGWVOETYRNLKCB-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007649681 1336683560 /nfs/dbraw/zinc/68/35/60/1336683560.db2.gz WTTHIKHRQRYKJK-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007947436 1336737394 /nfs/dbraw/zinc/73/73/94/1336737394.db2.gz GEZAYAVYLCVHCP-VQIMIIECSA-N 2 0 348.450 3.290 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749291 1336919732 /nfs/dbraw/zinc/91/97/32/1336919732.db2.gz RYDYIEMGGGYLAN-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009682570 1337059205 /nfs/dbraw/zinc/05/92/05/1337059205.db2.gz OYWXDSUVBYIAMZ-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCC1 ZINC001014447842 1337780333 /nfs/dbraw/zinc/78/03/33/1337780333.db2.gz QHHJFOMRQBRYDQ-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014728493 1337888894 /nfs/dbraw/zinc/88/88/94/1337888894.db2.gz MSHSLZCYEIGUMT-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014728498 1337889002 /nfs/dbraw/zinc/88/90/02/1337889002.db2.gz MSHSLZCYEIGUMT-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713611 1338272377 /nfs/dbraw/zinc/27/23/77/1338272377.db2.gz POFXUMCSRIHYOM-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001015794641 1338314375 /nfs/dbraw/zinc/31/43/75/1338314375.db2.gz IPGYJVUAGOBMFE-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015796224 1338315126 /nfs/dbraw/zinc/31/51/26/1338315126.db2.gz WCTCWYIXBQYSIT-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001015796738 1338315340 /nfs/dbraw/zinc/31/53/40/1338315340.db2.gz PRBGGKQAFGNIEA-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001015930164 1338363264 /nfs/dbraw/zinc/36/32/64/1338363264.db2.gz IVKXHGSAFUVYFY-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015974028 1338387126 /nfs/dbraw/zinc/38/71/26/1338387126.db2.gz WTZVCOCBTDPZGD-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001016339912 1338555329 /nfs/dbraw/zinc/55/53/29/1338555329.db2.gz SFXFAZQTTUYLJE-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788528 1338727570 /nfs/dbraw/zinc/72/75/70/1338727570.db2.gz ZPPTZAYYRVKTRU-RTBURBONSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016830765 1338740464 /nfs/dbraw/zinc/74/04/64/1338740464.db2.gz VIVZCCIMTZWRTM-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@H+](CC1CCC1)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001017129123 1338884720 /nfs/dbraw/zinc/88/47/20/1338884720.db2.gz YARMISCFAAAQFZ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611783 1339377436 /nfs/dbraw/zinc/37/74/36/1339377436.db2.gz YWEAHYBKGLKNED-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001018849454 1339737628 /nfs/dbraw/zinc/73/76/28/1339737628.db2.gz WJCGEVCZPSXAOF-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001028181283 1340472025 /nfs/dbraw/zinc/47/20/25/1340472025.db2.gz QFRIEQGNODKRBT-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203406 1340482368 /nfs/dbraw/zinc/48/23/68/1340482368.db2.gz UKJLUMBEDPQBRA-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001028335205 1340572279 /nfs/dbraw/zinc/57/22/79/1340572279.db2.gz PPPKFWNFZOKHTH-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028647101 1340741981 /nfs/dbraw/zinc/74/19/81/1340741981.db2.gz FIGJGZQXWWGVEG-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755239 1340791707 /nfs/dbraw/zinc/79/17/07/1340791707.db2.gz JTENJLQYQKFKNI-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001028844735 1340856362 /nfs/dbraw/zinc/85/63/62/1340856362.db2.gz BGIQOUFRURHMDJ-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001028901939 1340879022 /nfs/dbraw/zinc/87/90/22/1340879022.db2.gz KSFZDGUENRQJRJ-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCC(C)C)C2)o1 ZINC001029012609 1340909146 /nfs/dbraw/zinc/90/91/46/1340909146.db2.gz ORAMLKJPFDEXRR-KRWDZBQOSA-N 2 0 349.519 3.219 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029163680 1340946075 /nfs/dbraw/zinc/94/60/75/1340946075.db2.gz AXQLGDRYNYGEIT-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029163879 1340946198 /nfs/dbraw/zinc/94/61/98/1340946198.db2.gz COGDAAYAUAKDNQ-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001029173597 1340948488 /nfs/dbraw/zinc/94/84/88/1340948488.db2.gz SDODHILPYXYXRE-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCCC2)CCC1 ZINC001029337187 1340973728 /nfs/dbraw/zinc/97/37/28/1340973728.db2.gz KKUUBKBJEBIEOY-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001029347428 1340975121 /nfs/dbraw/zinc/97/51/21/1340975121.db2.gz VDBZEPITGLPDNT-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)[NH+]1CCCC1 ZINC001029420131 1340986363 /nfs/dbraw/zinc/98/63/63/1340986363.db2.gz XHWHTZFHNAQTKC-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029738734 1341059386 /nfs/dbraw/zinc/05/93/86/1341059386.db2.gz CQCCCSLNSCBEPH-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029799916 1341077038 /nfs/dbraw/zinc/07/70/38/1341077038.db2.gz HPZHHYVXAIZQDX-KRWDZBQOSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001030002896 1341153774 /nfs/dbraw/zinc/15/37/74/1341153774.db2.gz SAVRIZJPHVUVJK-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)C1 ZINC001030010466 1341156862 /nfs/dbraw/zinc/15/68/62/1341156862.db2.gz ROCHLLGMNAMARS-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001030020922 1341159761 /nfs/dbraw/zinc/15/97/61/1341159761.db2.gz RCAGFRCEUMNUHM-YZGWKJHDSA-N 2 0 345.531 3.223 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001030032217 1341162430 /nfs/dbraw/zinc/16/24/30/1341162430.db2.gz GMAGONBGIYIZTQ-WSTZPKSXSA-N 2 0 343.515 3.039 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001030432302 1341186904 /nfs/dbraw/zinc/18/69/04/1341186904.db2.gz CYHHWRKFFPUZNV-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CC3CCCCCC3)C2)cc1 ZINC001031104525 1341278094 /nfs/dbraw/zinc/27/80/94/1341278094.db2.gz URMCAYMGPVHYKF-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730619 1341394494 /nfs/dbraw/zinc/39/44/94/1341394494.db2.gz SNXRODNJNUUNQU-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031802622 1341403868 /nfs/dbraw/zinc/40/38/68/1341403868.db2.gz TYBUQZWFGUPCDF-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001032027115 1341441705 /nfs/dbraw/zinc/44/17/05/1341441705.db2.gz ODQQTDXNZNONIJ-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032664346 1341575866 /nfs/dbraw/zinc/57/58/66/1341575866.db2.gz YKPPUMGGOFPFJE-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001032664697 1341575891 /nfs/dbraw/zinc/57/58/91/1341575891.db2.gz OCSCHVZPYKHBIT-HOJAQTOUSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828361 1341629015 /nfs/dbraw/zinc/62/90/15/1341629015.db2.gz NSDYOKFUPZQBKJ-RCCFBDPRSA-N 2 0 349.906 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033125183 1341733533 /nfs/dbraw/zinc/73/35/33/1341733533.db2.gz AIPVZRZLLUTGLK-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033146438 1341739694 /nfs/dbraw/zinc/73/96/94/1341739694.db2.gz PEUJONRPQOSHPU-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033354083 1341794014 /nfs/dbraw/zinc/79/40/14/1341794014.db2.gz NCRDNYQWSROBCJ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365532 1341797662 /nfs/dbraw/zinc/79/76/62/1341797662.db2.gz OQSBCLQAYSDSNL-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420446 1341821762 /nfs/dbraw/zinc/82/17/62/1341821762.db2.gz OZNHCHZEDBXAEG-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467861 1341837610 /nfs/dbraw/zinc/83/76/10/1341837610.db2.gz RQZLDHKBONCYCP-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033575358 1341880712 /nfs/dbraw/zinc/88/07/12/1341880712.db2.gz QYECUEUWJZZOMD-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033832901 1342033315 /nfs/dbraw/zinc/03/33/15/1342033315.db2.gz BIZUMWCVRYYSKO-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033940920 1342102533 /nfs/dbraw/zinc/10/25/33/1342102533.db2.gz LILNARRGPBNJDV-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033988743 1342132814 /nfs/dbraw/zinc/13/28/14/1342132814.db2.gz IINGXTGEGULHLO-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989118 1342132897 /nfs/dbraw/zinc/13/28/97/1342132897.db2.gz KMXMRUPHNFTDHK-PXNSSMCTSA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001034051583 1342193718 /nfs/dbraw/zinc/19/37/18/1342193718.db2.gz YTDZHQYAXHAQAE-KRWDZBQOSA-N 2 0 349.519 3.314 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034131581 1342261524 /nfs/dbraw/zinc/26/15/24/1342261524.db2.gz NQFMDYFZKRDMSB-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034237949 1342339412 /nfs/dbraw/zinc/33/94/12/1342339412.db2.gz DJGPZCMLQXURHV-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249963 1342346667 /nfs/dbraw/zinc/34/66/67/1342346667.db2.gz NNKCJRCMRFSLDN-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251232 1342347580 /nfs/dbraw/zinc/34/75/80/1342347580.db2.gz XJHAFDKDXHIKIJ-AZUAARDMSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444335 1342504238 /nfs/dbraw/zinc/50/42/38/1342504238.db2.gz FOFBPQHCANKLRG-PXNSSMCTSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543953 1342605019 /nfs/dbraw/zinc/60/50/19/1342605019.db2.gz NNMCCPNYPLHROP-SFHVURJKSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034663077 1342677144 /nfs/dbraw/zinc/67/71/44/1342677144.db2.gz SJVXOQZJTPECLU-PWKSQPCKSA-N 2 0 349.563 3.027 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001034682147 1342689848 /nfs/dbraw/zinc/68/98/48/1342689848.db2.gz JKCPLORIHUIYKK-WGSAOQKQSA-N 2 0 347.547 3.212 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)C1 ZINC001034775846 1342753020 /nfs/dbraw/zinc/75/30/20/1342753020.db2.gz KQEUMQUMCAWHNC-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCCC3)CC2)C1 ZINC001034792108 1342761221 /nfs/dbraw/zinc/76/12/21/1342761221.db2.gz FFCIUMNNOBEQSO-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034796591 1342763664 /nfs/dbraw/zinc/76/36/64/1342763664.db2.gz KAPDWMMXDBZBNL-BMOGMMAESA-N 2 0 347.547 3.377 20 0 EGADRP O=C(N1CCC[C@@H]1C[NH2+]CC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001034970035 1342857512 /nfs/dbraw/zinc/85/75/12/1342857512.db2.gz RZRWIGKAUIEWFE-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC001034995102 1342868129 /nfs/dbraw/zinc/86/81/29/1342868129.db2.gz MLIPPIZFORNXMJ-HXUWFJFHSA-N 2 0 348.450 3.037 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)[NH+]1CCCCCC1 ZINC001035069732 1342910739 /nfs/dbraw/zinc/91/07/39/1342910739.db2.gz DVGUQLCCLNOEON-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001035131325 1342947815 /nfs/dbraw/zinc/94/78/15/1342947815.db2.gz HOWAJDGFYJFWDC-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001035133686 1342949634 /nfs/dbraw/zinc/94/96/34/1342949634.db2.gz PHWLAXFVHKHMCY-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001035134798 1342950504 /nfs/dbraw/zinc/95/05/04/1342950504.db2.gz TUKIGCJQROUPHE-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035195961 1343010069 /nfs/dbraw/zinc/01/00/69/1343010069.db2.gz MADFVANASXOIBL-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001035224777 1343045288 /nfs/dbraw/zinc/04/52/88/1343045288.db2.gz PVTUDAQRCTZEIL-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035721209 1343151829 /nfs/dbraw/zinc/15/18/29/1343151829.db2.gz SDIAWJFFYBCUGN-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035721207 1343151992 /nfs/dbraw/zinc/15/19/92/1343151992.db2.gz SDIAWJFFYBCUGN-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC3(C[NH+](CCC(C)(C)C)C3)CC2)CC1 ZINC001035823970 1343215506 /nfs/dbraw/zinc/21/55/06/1343215506.db2.gz ORWXXXDBUQQQHJ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036098977 1343312247 /nfs/dbraw/zinc/31/22/47/1343312247.db2.gz XCAZGPNIPKIGSE-VQIMIIECSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036137390 1343323339 /nfs/dbraw/zinc/32/33/39/1343323339.db2.gz NIJDPYFLGAVOHX-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036183870 1343351175 /nfs/dbraw/zinc/35/11/75/1343351175.db2.gz VEPSIEDJPLLOQI-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036202777 1343361170 /nfs/dbraw/zinc/36/11/70/1343361170.db2.gz KJJIIIYDJGIBSX-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H](C)C2)CC1 ZINC001036229110 1343370131 /nfs/dbraw/zinc/37/01/31/1343370131.db2.gz GUABPROUFIZTSU-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@H](C)C2)CC1 ZINC001036242689 1343374455 /nfs/dbraw/zinc/37/44/55/1343374455.db2.gz WUECJYJPQWSOOJ-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820385 1343758784 /nfs/dbraw/zinc/75/87/84/1343758784.db2.gz IBWCGKWIZDSGNC-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001037038236 1343941845 /nfs/dbraw/zinc/94/18/45/1343941845.db2.gz JXFKPNVAXXPTCE-ICSRJNTNSA-N 2 0 348.450 3.023 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001037211118 1344045174 /nfs/dbraw/zinc/04/51/74/1344045174.db2.gz CTXCVDYCJIUCPR-AZUAARDMSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001037213715 1344046263 /nfs/dbraw/zinc/04/62/63/1344046263.db2.gz PZGKTMHZDVICAT-GDBMZVCRSA-N 2 0 337.533 3.096 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001037220447 1344051884 /nfs/dbraw/zinc/05/18/84/1344051884.db2.gz IGCFIZASDVZVRI-FUHWJXTLSA-N 2 0 347.503 3.020 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037907924 1344171278 /nfs/dbraw/zinc/17/12/78/1344171278.db2.gz XEZLWOWZPKQVLX-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037928991 1344187346 /nfs/dbraw/zinc/18/73/46/1344187346.db2.gz VMCQVGKFBNZLHV-ICSRJNTNSA-N 2 0 347.547 3.045 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCC1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038352499 1344392650 /nfs/dbraw/zinc/39/26/50/1344392650.db2.gz ICXTXOCCMFRREG-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038352443 1344392725 /nfs/dbraw/zinc/39/27/25/1344392725.db2.gz HKKVPUWSAORVDO-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038777800 1344581605 /nfs/dbraw/zinc/58/16/05/1344581605.db2.gz CFMGRYQZJBATGM-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001039047260 1344733152 /nfs/dbraw/zinc/73/31/52/1344733152.db2.gz CMESKBRBMWUFGE-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039167961 1344856143 /nfs/dbraw/zinc/85/61/43/1344856143.db2.gz IAQMUFWWMLHQAZ-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039226310 1344944284 /nfs/dbraw/zinc/94/42/84/1344944284.db2.gz WEDBGZFEMFPTPO-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399601 1345046716 /nfs/dbraw/zinc/04/67/16/1345046716.db2.gz JOKASRLNAZGVFL-MSOLQXFVSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406485 1345051560 /nfs/dbraw/zinc/05/15/60/1345051560.db2.gz WCIYOWDPGLSQBD-WDYCEAGBSA-N 2 0 340.471 3.059 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473275 1345088704 /nfs/dbraw/zinc/08/87/04/1345088704.db2.gz DYTAJWWTHRIRNZ-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474329 1345089079 /nfs/dbraw/zinc/08/90/79/1345089079.db2.gz BTQVKDKQWGLUNK-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001039528490 1345131202 /nfs/dbraw/zinc/13/12/02/1345131202.db2.gz NXGFKDBYCDHAQB-ZCNNSNEGSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001039587031 1345146478 /nfs/dbraw/zinc/14/64/78/1345146478.db2.gz DDWPJOOBMINABX-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001040006256 1345284928 /nfs/dbraw/zinc/28/49/28/1345284928.db2.gz WRUYEFCQFKBAHB-BGYRXZFFSA-N 2 0 345.531 3.038 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211258 1345377275 /nfs/dbraw/zinc/37/72/75/1345377275.db2.gz ZCCBZOMQBUXLBP-NRFANRHFSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543940 1345539548 /nfs/dbraw/zinc/53/95/48/1345539548.db2.gz RUBCSADKYLXMPP-TZIWHRDSSA-N 2 0 349.563 3.223 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC)C3)o1 ZINC001040548713 1345542742 /nfs/dbraw/zinc/54/27/42/1345542742.db2.gz UQNAQONTJAJGQI-HXUWFJFHSA-N 2 0 347.503 3.069 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040730212 1345571794 /nfs/dbraw/zinc/57/17/94/1345571794.db2.gz TYQYMWBPEJGRDO-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001040798481 1345578882 /nfs/dbraw/zinc/57/88/82/1345578882.db2.gz RKDUGUXEMZGUEP-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001040882672 1345594048 /nfs/dbraw/zinc/59/40/48/1345594048.db2.gz HRDQADYJPMMYGF-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433177 1345726080 /nfs/dbraw/zinc/72/60/80/1345726080.db2.gz WBMIXQPZOQAWRC-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726512 1345833621 /nfs/dbraw/zinc/83/36/21/1345833621.db2.gz ZNWXXCTVWLXZJQ-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297102 1346021431 /nfs/dbraw/zinc/02/14/31/1346021431.db2.gz LYRVNTCLJMIEMH-ICSRJNTNSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001042714944 1346109454 /nfs/dbraw/zinc/10/94/54/1346109454.db2.gz HSXVFBIXBMDMSS-IBGZPJMESA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044745779 1346418947 /nfs/dbraw/zinc/41/89/47/1346418947.db2.gz ZQZVRRPHELHEII-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044859031 1346446939 /nfs/dbraw/zinc/44/69/39/1346446939.db2.gz YYJCCWYIXTZPCQ-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044881683 1346453749 /nfs/dbraw/zinc/45/37/49/1346453749.db2.gz WLMYFRDFHNDBHX-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045057424 1346488309 /nfs/dbraw/zinc/48/83/09/1346488309.db2.gz ACNKMEUSRIJZIP-KRWDZBQOSA-N 2 0 349.544 3.194 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C(C)C)[NH+](C)C ZINC001045089938 1346493172 /nfs/dbraw/zinc/49/31/72/1346493172.db2.gz RDFXYCDULPQMBU-AZUAARDMSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001045148451 1346506029 /nfs/dbraw/zinc/50/60/29/1346506029.db2.gz XLXQMIJZYHWQIE-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001045528937 1346618060 /nfs/dbraw/zinc/61/80/60/1346618060.db2.gz IXCLDIQRQSNXDO-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045619505 1346649639 /nfs/dbraw/zinc/64/96/39/1346649639.db2.gz HTNRITCSIPMUNE-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001045639570 1346655877 /nfs/dbraw/zinc/65/58/77/1346655877.db2.gz MJGDYOWDNRDLEG-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2(C)CC[NH+](C(C)C)CC2)o1 ZINC001045650969 1346659676 /nfs/dbraw/zinc/65/96/76/1346659676.db2.gz VZRREESAZXNVCT-UHFFFAOYSA-N 2 0 335.492 3.114 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001045876647 1346728910 /nfs/dbraw/zinc/72/89/10/1346728910.db2.gz UUZZPJZHHAIHQY-CEXWTWQISA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938279 1346774291 /nfs/dbraw/zinc/77/42/91/1346774291.db2.gz WKFRVVOFYOOJPR-CTNGQTDRSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943469 1346779036 /nfs/dbraw/zinc/77/90/36/1346779036.db2.gz IWOSMCTXPSFHGX-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960450 1346795221 /nfs/dbraw/zinc/79/52/21/1346795221.db2.gz KBQAWJDDJQTHFY-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983829 1346824174 /nfs/dbraw/zinc/82/41/74/1346824174.db2.gz RMEKXDLPVNMYJZ-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449878 1346977969 /nfs/dbraw/zinc/97/79/69/1346977969.db2.gz MYCVFPKBPWXVDF-IIBYNOLFSA-N 2 0 348.450 3.290 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483425 1346990646 /nfs/dbraw/zinc/99/06/46/1346990646.db2.gz AANGHQYNHYOKLW-KKSFZXQISA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047247316 1347272231 /nfs/dbraw/zinc/27/22/31/1347272231.db2.gz FLAHSEYMSYJVDJ-IHPCNDPISA-N 2 0 349.563 3.076 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001047266033 1347287022 /nfs/dbraw/zinc/28/70/22/1347287022.db2.gz OHUJJDRRUQTFBX-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266251 1347287745 /nfs/dbraw/zinc/28/77/45/1347287745.db2.gz UPPYWKWBZQIAAC-QUCCMNQESA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001047867795 1347393947 /nfs/dbraw/zinc/39/39/47/1347393947.db2.gz KWGJRGFCQCCYNY-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047924097 1347411362 /nfs/dbraw/zinc/41/13/62/1347411362.db2.gz LKKVYIQPUTUYFK-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCCC1 ZINC001049369409 1347807320 /nfs/dbraw/zinc/80/73/20/1347807320.db2.gz OCYSXRCKQLUDTQ-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473293 1347866061 /nfs/dbraw/zinc/86/60/61/1347866061.db2.gz JUAODBSVDSRTMZ-YSIASYRMSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC2=CCCCC2)CCC1 ZINC001049518789 1347888768 /nfs/dbraw/zinc/88/87/68/1347888768.db2.gz VTZFSHYLIQIHRF-MOPGFXCFSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049533043 1347894840 /nfs/dbraw/zinc/89/48/40/1347894840.db2.gz LXKGBBOBAYZDQJ-SQNIBIBYSA-N 2 0 337.552 3.074 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049548874 1347902601 /nfs/dbraw/zinc/90/26/01/1347902601.db2.gz GGXPOPZCZZXZJC-AQNXPRMDSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049550115 1347903450 /nfs/dbraw/zinc/90/34/50/1347903450.db2.gz KEUHZGLOSNRYPS-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049550476 1347903466 /nfs/dbraw/zinc/90/34/66/1347903466.db2.gz MGZCHXLQQPOFGR-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049550113 1347903787 /nfs/dbraw/zinc/90/37/87/1347903787.db2.gz KEUHZGLOSNRYPS-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568436 1347914586 /nfs/dbraw/zinc/91/45/86/1347914586.db2.gz UETPNMPZMWHQGV-ZWKOTPCHSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049725179 1347991678 /nfs/dbraw/zinc/99/16/78/1347991678.db2.gz VSJKHPNRIXJUSD-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001050349259 1348234115 /nfs/dbraw/zinc/23/41/15/1348234115.db2.gz NAKZNTZTWLQRPG-UAPYVXQJSA-N 2 0 345.531 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050357065 1348236634 /nfs/dbraw/zinc/23/66/34/1348236634.db2.gz JDAGSQVULJWUFW-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050537860 1348286226 /nfs/dbraw/zinc/28/62/26/1348286226.db2.gz ZYOPCWSXPCIFHP-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)CC2)[NH+](C)C ZINC001050563507 1348290638 /nfs/dbraw/zinc/29/06/38/1348290638.db2.gz LBKCYXUXIIKYBN-PKOBYXMFSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050632637 1348309441 /nfs/dbraw/zinc/30/94/41/1348309441.db2.gz LFFRVKPNPRFHIG-IBGZPJMESA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050765242 1348352215 /nfs/dbraw/zinc/35/22/15/1348352215.db2.gz MRBJIORZMNSNCT-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050766289 1348352622 /nfs/dbraw/zinc/35/26/22/1348352622.db2.gz LCYZJFMIGJZCCA-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001051348741 1348439479 /nfs/dbraw/zinc/43/94/79/1348439479.db2.gz TXADNSVWOWZGPY-NLWGTHIKSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381480 1348537110 /nfs/dbraw/zinc/53/71/10/1348537110.db2.gz RTMBSMNCVAPVJS-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446998 1348543803 /nfs/dbraw/zinc/54/38/03/1348543803.db2.gz VHDPRXXWPDNZJO-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052516669 1348564214 /nfs/dbraw/zinc/56/42/14/1348564214.db2.gz QHNQRWLVGMKRHK-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001052620185 1348597847 /nfs/dbraw/zinc/59/78/47/1348597847.db2.gz NNCFENSWXWLAQP-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)C)CC2)C1 ZINC001052651925 1348614457 /nfs/dbraw/zinc/61/44/57/1348614457.db2.gz PBRMXIUECAYEGX-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052663779 1348618832 /nfs/dbraw/zinc/61/88/32/1348618832.db2.gz ZBHLBFLQUTWZKW-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052716303 1348646386 /nfs/dbraw/zinc/64/63/86/1348646386.db2.gz LHAHWFJBCQVDAU-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC001052717804 1348646712 /nfs/dbraw/zinc/64/67/12/1348646712.db2.gz ZZDARMQTDDUUCN-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052765051 1348670346 /nfs/dbraw/zinc/67/03/46/1348670346.db2.gz VLOQZYLUZJURRM-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819403 1348688800 /nfs/dbraw/zinc/68/88/00/1348688800.db2.gz FMBLTUJYBSNFNF-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CC(C)C3)CC2)CC1 ZINC001052836629 1348695309 /nfs/dbraw/zinc/69/53/09/1348695309.db2.gz KOTYFFVYKACEPO-QLOJAFMTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857527 1348704307 /nfs/dbraw/zinc/70/43/07/1348704307.db2.gz OHSJBEOKLHDXEU-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953657 1348768376 /nfs/dbraw/zinc/76/83/76/1348768376.db2.gz FDHQZNQKYCLBBY-LPHOPBHVSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052955182 1348769996 /nfs/dbraw/zinc/76/99/96/1348769996.db2.gz AIDOQFFMHDNNCS-MSOLQXFVSA-N 2 0 349.544 3.093 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956655 1348770306 /nfs/dbraw/zinc/77/03/06/1348770306.db2.gz WIOXDBUYHHAYCR-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096764 1348926867 /nfs/dbraw/zinc/92/68/67/1348926867.db2.gz ZIOSRBXUDIDRDG-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108533 1348947704 /nfs/dbraw/zinc/94/77/04/1348947704.db2.gz VVWGVSFVBCLVLZ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159943 1349162141 /nfs/dbraw/zinc/16/21/41/1349162141.db2.gz QNEFQDGOGBHPJO-FQEVSTJZSA-N 2 0 340.471 3.063 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174426 1349174990 /nfs/dbraw/zinc/17/49/90/1349174990.db2.gz OZHGRJCAECQDST-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227116 1349221655 /nfs/dbraw/zinc/22/16/55/1349221655.db2.gz DEMZBBSZAULADY-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243785 1349237860 /nfs/dbraw/zinc/23/78/60/1349237860.db2.gz OBYLUMMBMOKLBG-NRFANRHFSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1)[NH+]1CCCCC1 ZINC001054244822 1349238552 /nfs/dbraw/zinc/23/85/52/1349238552.db2.gz IWVSEWCQRIKGHI-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc(C[NH+](C)C)c3)cc2C1 ZINC001054292802 1349297846 /nfs/dbraw/zinc/29/78/46/1349297846.db2.gz URNMXDGFBUIKRP-UHFFFAOYSA-N 2 0 337.467 3.014 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001054968118 1349530848 /nfs/dbraw/zinc/53/08/48/1349530848.db2.gz CAIIWRRFYZBVLC-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+](Cc1cc(Br)cc(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236844657 1376967011 /nfs/dbraw/zinc/96/70/11/1376967011.db2.gz XGPWARAXBXWKLN-ZDUSSCGKSA-N 2 0 341.293 3.279 20 0 EGADRP CCC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001183138123 1387268567 /nfs/dbraw/zinc/26/85/67/1387268567.db2.gz MPLPZYXEDKVCHG-UYAOXDASSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507990 1354732207 /nfs/dbraw/zinc/73/22/07/1354732207.db2.gz FXGOAIKBQKIUHB-ZWKOTPCHSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1Cc1ccccc1 ZINC001071653045 1354828767 /nfs/dbraw/zinc/82/87/67/1354828767.db2.gz RLCHQYQRGKTODJ-QFBILLFUSA-N 2 0 348.450 3.117 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919679 1355024732 /nfs/dbraw/zinc/02/47/32/1355024732.db2.gz GFYKKYFYELVKPK-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCC3CCC3)C2)CC1 ZINC001071920877 1355025432 /nfs/dbraw/zinc/02/54/32/1355025432.db2.gz YRFHVYOXNBJKGY-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953777 1355038897 /nfs/dbraw/zinc/03/88/97/1355038897.db2.gz FMQOINZQACMDJP-MJGOQNOKSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1CC1CCC1 ZINC001072095408 1355126852 /nfs/dbraw/zinc/12/68/52/1355126852.db2.gz HUUGXXQMUNJZFD-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1CC1CCC1 ZINC001072099512 1355130206 /nfs/dbraw/zinc/13/02/06/1355130206.db2.gz SBQOYZRMFCTRFS-LPHOPBHVSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001072301108 1355228463 /nfs/dbraw/zinc/22/84/63/1355228463.db2.gz NMTCRUMCPUZMCF-HKUYNNGSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC001074062993 1356061440 /nfs/dbraw/zinc/06/14/40/1356061440.db2.gz CXRVXJCUARBYLW-SJLPKXTDSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)c1ccccc1Cl ZINC001074803660 1356248002 /nfs/dbraw/zinc/24/80/02/1356248002.db2.gz JJKWNZGJPCUOFE-IDCJVQTKSA-N 2 0 349.906 3.074 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256159 1387286248 /nfs/dbraw/zinc/28/62/48/1387286248.db2.gz UAPCUAIRQYOVHX-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080992707 1357776590 /nfs/dbraw/zinc/77/65/90/1357776590.db2.gz VYHGXTOYZPYMRR-OXQOHEQNSA-N 2 0 345.531 3.235 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001080998811 1357777370 /nfs/dbraw/zinc/77/73/70/1357777370.db2.gz OJQWTLKTVSXSRF-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082544841 1358057097 /nfs/dbraw/zinc/05/70/97/1358057097.db2.gz UXMKMRXWQCBERV-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082544840 1358057321 /nfs/dbraw/zinc/05/73/21/1358057321.db2.gz UXMKMRXWQCBERV-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C)c1ccccc1 ZINC001082645214 1358067748 /nfs/dbraw/zinc/06/77/48/1358067748.db2.gz OBCRAGFEJMORRM-JXXFODFXSA-N 2 0 348.450 3.146 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853315 1358328319 /nfs/dbraw/zinc/32/83/19/1358328319.db2.gz HJTDKZVADUUZHG-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085331810 1358469867 /nfs/dbraw/zinc/46/98/67/1358469867.db2.gz APKOQRVGFKRJRK-QXAKKESOSA-N 2 0 335.536 3.068 20 0 EGADRP CC1(C)CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001085333177 1358470470 /nfs/dbraw/zinc/47/04/70/1358470470.db2.gz DCIGHHVEWPSJLB-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)C1 ZINC001085393966 1358487332 /nfs/dbraw/zinc/48/73/32/1358487332.db2.gz PUYIROUVQSNDBK-XUVXKRRUSA-N 2 0 347.547 3.236 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)C1 ZINC001085393856 1358487552 /nfs/dbraw/zinc/48/75/52/1358487552.db2.gz MYPSQAIACUHNHS-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCCC2)C1 ZINC001085422423 1358495792 /nfs/dbraw/zinc/49/57/92/1358495792.db2.gz SKJYYRLWCVMZJJ-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085432522 1358498405 /nfs/dbraw/zinc/49/84/05/1358498405.db2.gz CBMMZENNKKKMHV-AQNXPRMDSA-N 2 0 343.515 3.078 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687318 1358688640 /nfs/dbraw/zinc/68/86/40/1358688640.db2.gz MSGFTVOYFMIUOP-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085779340 1358753514 /nfs/dbraw/zinc/75/35/14/1358753514.db2.gz SQEDWWADHCPVBI-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(CC)CC)C1 ZINC001085779405 1358753610 /nfs/dbraw/zinc/75/36/10/1358753610.db2.gz UWCRZHQEDZTNEG-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085779339 1358754137 /nfs/dbraw/zinc/75/41/37/1358754137.db2.gz SQEDWWADHCPVBI-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917170 1358877194 /nfs/dbraw/zinc/87/71/94/1358877194.db2.gz SAUHXULUFSZRQE-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001086138516 1359006251 /nfs/dbraw/zinc/00/62/51/1359006251.db2.gz MWBFAWLLYVGTRQ-MDZRGWNJSA-N 2 0 348.450 3.194 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086180423 1359017288 /nfs/dbraw/zinc/01/72/88/1359017288.db2.gz NMJSCWWDPRYSLC-MAEOIBBWSA-N 2 0 347.503 3.020 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086380155 1359082754 /nfs/dbraw/zinc/08/27/54/1359082754.db2.gz KRDOPRBXPUVPOC-JCNLHEQBSA-N 2 0 349.544 3.098 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086414795 1359090991 /nfs/dbraw/zinc/09/09/91/1359090991.db2.gz JPWCVZWCSMDZIG-BHIYHBOVSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001086428761 1359094742 /nfs/dbraw/zinc/09/47/42/1359094742.db2.gz HZWXUUAZFYABLV-GPMSIDNRSA-N 2 0 348.450 3.194 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183978763 1387378128 /nfs/dbraw/zinc/37/81/28/1387378128.db2.gz ZVLYYLVCFDACAQ-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001086746957 1359194398 /nfs/dbraw/zinc/19/43/98/1359194398.db2.gz ZSXRVGCBSUHSDP-FUHWJXTLSA-N 2 0 340.471 3.013 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC[N@@H+]1CC1CCCC1 ZINC001087598806 1359549800 /nfs/dbraw/zinc/54/98/00/1359549800.db2.gz ZUNQJTPQCSSPQI-SLFFLAALSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC[N@@H+]1CC=C(C)C ZINC001087636604 1359565888 /nfs/dbraw/zinc/56/58/88/1359565888.db2.gz ZIBOZQAZXCAPMF-IPMKNSEASA-N 2 0 335.536 3.042 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728298 1359614340 /nfs/dbraw/zinc/61/43/40/1359614340.db2.gz PIOJZMIIZCTVKD-VQTJNVASSA-N 2 0 345.531 3.174 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCCC1CCC1 ZINC001087725878 1359614566 /nfs/dbraw/zinc/61/45/66/1359614566.db2.gz IPEMSYJSTCJREV-YTQUADARSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCCC1 ZINC001087829830 1359667848 /nfs/dbraw/zinc/66/78/48/1359667848.db2.gz YMVFWCDZQAWLST-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001088376980 1359858993 /nfs/dbraw/zinc/85/89/93/1359858993.db2.gz WSXPLKOYLULGOC-WOJBJXKFSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001323669222 1387421072 /nfs/dbraw/zinc/42/10/72/1387421072.db2.gz HBODRNQLKLZZDO-XVLXNVKGSA-N 2 0 335.536 3.041 20 0 EGADRP C[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)[NH+]1CCCCCC1 ZINC001088394123 1359870230 /nfs/dbraw/zinc/87/02/30/1359870230.db2.gz XDSQEPCNCUORHG-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088411746 1359882747 /nfs/dbraw/zinc/88/27/47/1359882747.db2.gz PADCZWZVPPVAJU-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001088424807 1359893801 /nfs/dbraw/zinc/89/38/01/1359893801.db2.gz GKQWQDWIRUNCIO-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001088426509 1359895035 /nfs/dbraw/zinc/89/50/35/1359895035.db2.gz WVNPAHSXNHYAFT-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088563450 1359974822 /nfs/dbraw/zinc/97/48/22/1359974822.db2.gz QQVOPGYEJWUJFX-NZSAHSFTSA-N 2 0 335.536 3.019 20 0 EGADRP Cc1nc2ccccc2nc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001184314907 1387427774 /nfs/dbraw/zinc/42/77/74/1387427774.db2.gz UIENLXZTXYMYFV-UHFFFAOYSA-N 2 0 333.439 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088605271 1359988563 /nfs/dbraw/zinc/98/85/63/1359988563.db2.gz NFGHZHYYFKEQSN-NEWSRXKRSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088605213 1359988626 /nfs/dbraw/zinc/98/86/26/1359988626.db2.gz LGNJFSZPWSKOIU-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088811086 1360060960 /nfs/dbraw/zinc/06/09/60/1360060960.db2.gz KIECPCYUPYUGKX-RLLQIKCJSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCC1CCCCC1 ZINC001088816599 1360061151 /nfs/dbraw/zinc/06/11/51/1360061151.db2.gz JAUVLOPZQPNQII-HNJRGHQBSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001088899226 1360099027 /nfs/dbraw/zinc/09/90/27/1360099027.db2.gz SNNIVAKKBIUPBJ-YTQPIUFNSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H]2C)CC1 ZINC001088953047 1360112514 /nfs/dbraw/zinc/11/25/14/1360112514.db2.gz XSNAHQIWFLGKPM-XLIONFOSSA-N 2 0 347.547 3.186 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333637 1360347546 /nfs/dbraw/zinc/34/75/46/1360347546.db2.gz BMNJSPFOWBXHNK-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386968 1360387883 /nfs/dbraw/zinc/38/78/83/1360387883.db2.gz WAZKIHFIIGYXFO-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089428243 1360420322 /nfs/dbraw/zinc/42/03/22/1360420322.db2.gz VPSHWQAWQPTZRZ-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558238 1360507603 /nfs/dbraw/zinc/50/76/03/1360507603.db2.gz GBPJNCVUDJYRPP-RTBURBONSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564864 1360511219 /nfs/dbraw/zinc/51/12/19/1360511219.db2.gz KFVLLZWQRUZQRU-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001089641882 1360554478 /nfs/dbraw/zinc/55/44/78/1360554478.db2.gz WCTQJIYNCMNCBM-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089647296 1360560317 /nfs/dbraw/zinc/56/03/17/1360560317.db2.gz UXRJWZHWYJWUPN-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585801 1387497770 /nfs/dbraw/zinc/49/77/70/1387497770.db2.gz VXTLGVLVGSCLNU-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091712960 1361187582 /nfs/dbraw/zinc/18/75/82/1361187582.db2.gz KEVXSCRTOXHYEV-APWZRJJASA-N 2 0 349.544 3.004 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184711895 1387517041 /nfs/dbraw/zinc/51/70/41/1387517041.db2.gz HVMWADUPVNLQGB-FUHWJXTLSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184724720 1387521206 /nfs/dbraw/zinc/52/12/06/1387521206.db2.gz OOIYFBFZJHKSBW-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413399 1361790225 /nfs/dbraw/zinc/79/02/25/1361790225.db2.gz DNVDXAWFSTZWPC-QKNQBKEWSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528911 1361846034 /nfs/dbraw/zinc/84/60/34/1361846034.db2.gz BKMSRZURNKMTEM-SFHLNBCPSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001096608705 1362595845 /nfs/dbraw/zinc/59/58/45/1362595845.db2.gz AJFLDDPABSIFKE-VSZNYVQBSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096611478 1362596668 /nfs/dbraw/zinc/59/66/68/1362596668.db2.gz NKTRIMBQXZIPKU-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(C)C)o1 ZINC001096642142 1362613299 /nfs/dbraw/zinc/61/32/99/1362613299.db2.gz PRNCSLIOZCUTJO-NJAFHUGGSA-N 2 0 347.503 3.113 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001097064127 1362829886 /nfs/dbraw/zinc/82/98/86/1362829886.db2.gz ZJOWZESELGWZBY-YRXWBPOGSA-N 2 0 347.547 3.017 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185052644 1387600230 /nfs/dbraw/zinc/60/02/30/1387600230.db2.gz OSMUYXUNMCDRLB-SJORKVTESA-N 2 0 349.519 3.075 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001098219439 1363258653 /nfs/dbraw/zinc/25/86/53/1363258653.db2.gz FDWRDGFSKBUDJQ-NMLBUPMWSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001324458201 1387629417 /nfs/dbraw/zinc/62/94/17/1387629417.db2.gz XSWVEXUGJPATNZ-IAGOWNOFSA-N 2 0 348.560 3.358 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185169489 1387631910 /nfs/dbraw/zinc/63/19/10/1387631910.db2.gz MEOVKMDYNAQFDY-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153403 1363659338 /nfs/dbraw/zinc/65/93/38/1363659338.db2.gz KFYAMKXVZPDCAR-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153727 1363659631 /nfs/dbraw/zinc/65/96/31/1363659631.db2.gz OXPRKACEEXLDRE-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001099154562 1363660414 /nfs/dbraw/zinc/66/04/14/1363660414.db2.gz ZQILRGRMRFEVQN-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)CC1 ZINC001099258506 1363719479 /nfs/dbraw/zinc/71/94/79/1363719479.db2.gz RPCVINOHXYNNIM-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](F)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310644 1363744292 /nfs/dbraw/zinc/74/42/92/1363744292.db2.gz RTYMUMFMDMFGFL-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354205 1363767958 /nfs/dbraw/zinc/76/79/58/1363767958.db2.gz OFHPTCZPEVDQKT-CNZFZVQHSA-N 2 0 337.552 3.290 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099354202 1363768321 /nfs/dbraw/zinc/76/83/21/1363768321.db2.gz OBPLOFMRVBMBQY-KRWDZBQOSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100319182 1364079198 /nfs/dbraw/zinc/07/91/98/1364079198.db2.gz ARHYHBJPGXWBGT-DAWZGUTISA-N 2 0 337.552 3.170 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCC2)c1 ZINC001324517701 1387658845 /nfs/dbraw/zinc/65/88/45/1387658845.db2.gz KWHXHFPKSQMJFD-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001185248559 1387659843 /nfs/dbraw/zinc/65/98/43/1387659843.db2.gz GREMHCTYPPQQDJ-YLJYHZDGSA-N 2 0 345.531 3.403 20 0 EGADRP CC(C)=CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468927 1364126274 /nfs/dbraw/zinc/12/62/74/1364126274.db2.gz XSDPVZVARGRVAQ-UHFFFAOYSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001100647214 1364203584 /nfs/dbraw/zinc/20/35/84/1364203584.db2.gz IRYBAWMEDSXDFF-CTWPCTMYSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100729651 1364238433 /nfs/dbraw/zinc/23/84/33/1364238433.db2.gz HVDPJZCMEPYTRW-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001100731656 1364239144 /nfs/dbraw/zinc/23/91/44/1364239144.db2.gz DSSQGBXBWAJGPR-AOCRQIFASA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001100769621 1364253673 /nfs/dbraw/zinc/25/36/73/1364253673.db2.gz SISGDOJGCKCYTD-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)CC1 ZINC001100815339 1364275612 /nfs/dbraw/zinc/27/56/12/1364275612.db2.gz TZHLEJRUZVKMEA-UHFFFAOYSA-N 2 0 337.552 3.027 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001100872832 1364305130 /nfs/dbraw/zinc/30/51/30/1364305130.db2.gz LIGIIRCEEGTGJA-LMDPOFIKSA-N 2 0 349.563 3.029 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC)[C@H](C)C1 ZINC001185316009 1387680474 /nfs/dbraw/zinc/68/04/74/1387680474.db2.gz BEDMDYJAHMWGIA-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101400324 1364545266 /nfs/dbraw/zinc/54/52/66/1364545266.db2.gz QXXLFXHIWJULOF-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001101568241 1364623833 /nfs/dbraw/zinc/62/38/33/1364623833.db2.gz VFLXAUDMQJGQNZ-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1 ZINC001101591383 1364642183 /nfs/dbraw/zinc/64/21/83/1364642183.db2.gz WXLVQEKBZOTKPL-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001101595621 1364646104 /nfs/dbraw/zinc/64/61/04/1364646104.db2.gz KLEPXDIPQZIRFQ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001102045044 1364821577 /nfs/dbraw/zinc/82/15/77/1364821577.db2.gz PPWAABZXTWARJX-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001102190055 1364923670 /nfs/dbraw/zinc/92/36/70/1364923670.db2.gz PPGYNFOXAVDBPD-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430358 1365050737 /nfs/dbraw/zinc/05/07/37/1365050737.db2.gz NPYHHDPGAAECRA-WKOLEINNSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001185525967 1387738905 /nfs/dbraw/zinc/73/89/05/1387738905.db2.gz IHNLRYYYPKUXCZ-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185550184 1387746088 /nfs/dbraw/zinc/74/60/88/1387746088.db2.gz TZECZZDWUODHDN-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001103495782 1365597226 /nfs/dbraw/zinc/59/72/26/1365597226.db2.gz SUFPFDGYZUSPRY-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001103612428 1365675823 /nfs/dbraw/zinc/67/58/23/1365675823.db2.gz CJICUKLZLIATRY-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+](CC)CC ZINC001185609564 1387760209 /nfs/dbraw/zinc/76/02/09/1387760209.db2.gz KUTZVSMBPMUMKQ-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103663470 1365711573 /nfs/dbraw/zinc/71/15/73/1365711573.db2.gz CRAYTSUXZOLDSI-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753766 1365765280 /nfs/dbraw/zinc/76/52/80/1365765280.db2.gz ZDBGJLIPXQMOBW-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103756873 1365766677 /nfs/dbraw/zinc/76/66/77/1365766677.db2.gz DUVGOETVXFFMCC-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001185675942 1387775411 /nfs/dbraw/zinc/77/54/11/1387775411.db2.gz DAMQTWVUHJOSJM-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104288349 1365976568 /nfs/dbraw/zinc/97/65/68/1365976568.db2.gz WKMHSUORVAXMIQ-JNVNVXKGSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291779 1365977907 /nfs/dbraw/zinc/97/79/07/1365977907.db2.gz VFYVENXWXZMBLJ-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385399 1365997541 /nfs/dbraw/zinc/99/75/41/1365997541.db2.gz TXELEIAGYYDBTR-XOIGSVRCSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104450569 1366033278 /nfs/dbraw/zinc/03/32/78/1366033278.db2.gz DMYUQBOWSFTICC-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001104752316 1366157019 /nfs/dbraw/zinc/15/70/19/1366157019.db2.gz CBNSTGOYNQNILU-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001104804000 1366180226 /nfs/dbraw/zinc/18/02/26/1366180226.db2.gz HBIJVOLZSIRFCG-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185763532 1387793048 /nfs/dbraw/zinc/79/30/48/1387793048.db2.gz SQAHNGPOMVDMRQ-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104896449 1366213785 /nfs/dbraw/zinc/21/37/85/1366213785.db2.gz ZBRYHFGGBJNBJO-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001324897405 1387809543 /nfs/dbraw/zinc/80/95/43/1387809543.db2.gz LIPXZSUOTWMTHZ-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001105396074 1366444419 /nfs/dbraw/zinc/44/44/19/1366444419.db2.gz ICBPBQIIZCLBTJ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539430 1366518662 /nfs/dbraw/zinc/51/86/62/1366518662.db2.gz FZMDYLPIUFSQDH-QRVBRYPASA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001105539797 1366518899 /nfs/dbraw/zinc/51/88/99/1366518899.db2.gz PWKPCJCVWSLBBR-IPMKNSEASA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105541594 1366520000 /nfs/dbraw/zinc/52/00/00/1366520000.db2.gz FDMXXBSDXUKDSV-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556066 1366528711 /nfs/dbraw/zinc/52/87/11/1366528711.db2.gz AYQONXWCXWICNJ-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105557041 1366529690 /nfs/dbraw/zinc/52/96/90/1366529690.db2.gz VWLNHXGQSWDKCH-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105558838 1366530190 /nfs/dbraw/zinc/53/01/90/1366530190.db2.gz GMPDFYNSCMGNKX-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105568030 1366536316 /nfs/dbraw/zinc/53/63/16/1366536316.db2.gz DISZHGUYBJZPDT-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001105570674 1366537896 /nfs/dbraw/zinc/53/78/96/1366537896.db2.gz XKOMXZNYLXLRIT-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001105570691 1366538311 /nfs/dbraw/zinc/53/83/11/1366538311.db2.gz XSCCPCCGYSCRJB-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577680 1366541756 /nfs/dbraw/zinc/54/17/56/1366541756.db2.gz YJAZIKCHOJQRSQ-OALUTQOASA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106210724 1366624793 /nfs/dbraw/zinc/62/47/93/1366624793.db2.gz BPCTZZQWGMUEAQ-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106322121 1366653601 /nfs/dbraw/zinc/65/36/01/1366653601.db2.gz KISUJYGDGKGTOZ-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001106350030 1366664774 /nfs/dbraw/zinc/66/47/74/1366664774.db2.gz WMIRBBJOXNXGEU-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C)c1ccccc1 ZINC001107042677 1366864076 /nfs/dbraw/zinc/86/40/76/1366864076.db2.gz XSKKDILTUDLYJL-RLLQIKCJSA-N 2 0 345.531 3.162 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450873 1366968582 /nfs/dbraw/zinc/96/85/82/1366968582.db2.gz OPCMVQWKEGCEIH-QWFCFKBJSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107462106 1366972462 /nfs/dbraw/zinc/97/24/62/1366972462.db2.gz STSQATYPQAOOHZ-UYAOXDASSA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)[NH+]1CCCC1 ZINC001107495203 1366994379 /nfs/dbraw/zinc/99/43/79/1366994379.db2.gz JVJQKPWLKRIIFO-WIYYLYMNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107520752 1367016158 /nfs/dbraw/zinc/01/61/58/1367016158.db2.gz DRDDGDXSQJMXFJ-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530182 1367022904 /nfs/dbraw/zinc/02/29/04/1367022904.db2.gz KTPVLNLIIRXQBU-JPKVPHHRSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)(C)C)CC2 ZINC001107531014 1367022992 /nfs/dbraw/zinc/02/29/92/1367022992.db2.gz YHNGCNGRMVWGRK-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2)[NH+](C)C ZINC001107533763 1367024951 /nfs/dbraw/zinc/02/49/51/1367024951.db2.gz FRDDMIGOQGOBRT-SFHLNBCPSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484416 1367033768 /nfs/dbraw/zinc/03/37/68/1367033768.db2.gz HWYOTFNJUDSJJV-SLFFLAALSA-N 2 0 343.515 3.012 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)C1 ZINC001107609566 1367069956 /nfs/dbraw/zinc/06/99/56/1367069956.db2.gz XKLPLSSANQEQCQ-WAOWUJCRSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)CCC1 ZINC001109403782 1367106264 /nfs/dbraw/zinc/10/62/64/1367106264.db2.gz YNFYMBWMZVZTPO-QYZOEREBSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001186074888 1387859776 /nfs/dbraw/zinc/85/97/76/1387859776.db2.gz KCXTWPKJRYKXLK-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)c1ccccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001190249138 1367209331 /nfs/dbraw/zinc/20/93/31/1367209331.db2.gz KALJBHJYCIGYJA-UHFFFAOYSA-N 2 0 333.520 3.156 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324260 1367227032 /nfs/dbraw/zinc/22/70/32/1367227032.db2.gz JLRRYHCNASGIKR-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001109653960 1367265647 /nfs/dbraw/zinc/26/56/47/1367265647.db2.gz OWHQTHCIJUVIKB-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001109688319 1367283069 /nfs/dbraw/zinc/28/30/69/1367283069.db2.gz IVPSCZKIGZCJBU-FUMNGEBKSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001109688575 1367283495 /nfs/dbraw/zinc/28/34/95/1367283495.db2.gz WIZQCDSOGKMFCY-FUMNGEBKSA-N 2 0 349.563 3.265 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001109714558 1367289807 /nfs/dbraw/zinc/28/98/07/1367289807.db2.gz OOQMGPSCDOHQDI-HCXYKTFWSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C)[NH+](CC)CC ZINC001109714460 1367290373 /nfs/dbraw/zinc/29/03/73/1367290373.db2.gz LKGYZOMYKIWPKK-XWSJACJDSA-N 2 0 337.552 3.265 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190652785 1367317385 /nfs/dbraw/zinc/31/73/85/1367317385.db2.gz AOHVZOOXDALACE-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190657064 1367320064 /nfs/dbraw/zinc/32/00/64/1367320064.db2.gz YHBNMJYWGZKIQM-WEPWYQGCSA-N 2 0 347.547 3.282 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656552 1367320157 /nfs/dbraw/zinc/32/01/57/1367320157.db2.gz UZYLGPKGVWCJSH-PXIXMTEYSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890568 1367375499 /nfs/dbraw/zinc/37/54/99/1367375499.db2.gz SPKRMDUUMDZKIL-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918649 1367403448 /nfs/dbraw/zinc/40/34/48/1367403448.db2.gz SYNHFVSRVNKDAD-UOUNDWCUSA-N 2 0 347.547 3.185 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162220 1367436787 /nfs/dbraw/zinc/43/67/87/1367436787.db2.gz NAIWUUQHBGPZGM-XFHJGTJQSA-N 2 0 340.471 3.227 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001110017791 1367460288 /nfs/dbraw/zinc/46/02/88/1367460288.db2.gz NENXPJXVYDFCEK-AABGKKOBSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351579 1367481636 /nfs/dbraw/zinc/48/16/36/1367481636.db2.gz JGOSKZVMGQMICN-APWZRJJASA-N 2 0 342.487 3.163 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001110150863 1367526427 /nfs/dbraw/zinc/52/64/27/1367526427.db2.gz LTRTWECJWRILLF-AABGKKOBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153901 1367527516 /nfs/dbraw/zinc/52/75/16/1367527516.db2.gz QWZPGGUCKODISQ-QYZOEREBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110158500 1367530943 /nfs/dbraw/zinc/53/09/43/1367530943.db2.gz PWSUFGRQCOEOOZ-XWSJACJDSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161776 1367534997 /nfs/dbraw/zinc/53/49/97/1367534997.db2.gz SJZDWBYJWHBFHQ-FYQPLNBISA-N 2 0 349.563 3.409 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684447 1367560199 /nfs/dbraw/zinc/56/01/99/1367560199.db2.gz RUOCHNWVTODAOX-JTHGQSKGSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789090 1367597416 /nfs/dbraw/zinc/59/74/16/1367597416.db2.gz DHKDEJQNLLXHMB-SXLOBPIMSA-N 2 0 349.563 3.122 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108804804 1367606529 /nfs/dbraw/zinc/60/65/29/1367606529.db2.gz YOLFTLFAYMYUEC-QHWWWDCYSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108827726 1367623360 /nfs/dbraw/zinc/62/33/60/1367623360.db2.gz ADWOYGCNHGQNQK-WKAYRIQESA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030390 1367668808 /nfs/dbraw/zinc/66/88/08/1367668808.db2.gz QIKVUJDFSKHDFS-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001192158283 1367703757 /nfs/dbraw/zinc/70/37/57/1367703757.db2.gz LDLRLSQPAPROFZ-WOJBJXKFSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001192158281 1367703991 /nfs/dbraw/zinc/70/39/91/1367703991.db2.gz LDLRLSQPAPROFZ-UXHICEINSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001192317439 1367748466 /nfs/dbraw/zinc/74/84/66/1367748466.db2.gz TTWGYRGQMHWKHD-UXHICEINSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001192324879 1367752483 /nfs/dbraw/zinc/75/24/83/1367752483.db2.gz ISHCLQFENNUBSD-ROUUACIJSA-N 2 0 339.568 3.466 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110550601 1367826821 /nfs/dbraw/zinc/82/68/21/1367826821.db2.gz WRUNOQRLLPJZPF-AKHDSKFASA-N 2 0 349.563 3.407 20 0 EGADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1O ZINC001192850323 1367887643 /nfs/dbraw/zinc/88/76/43/1367887643.db2.gz WCDLQIJGEMUWPL-NQIIRXRSSA-N 2 0 330.516 3.034 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C[C@@H](C)CC)C1 ZINC001192904500 1367900469 /nfs/dbraw/zinc/90/04/69/1367900469.db2.gz AGGKDQRLQSHFTA-ZWKOTPCHSA-N 2 0 325.541 3.077 20 0 EGADRP CC/C=C\CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192906526 1367900856 /nfs/dbraw/zinc/90/08/56/1367900856.db2.gz MJSFOQUJUFFVNU-QIBOZCLASA-N 2 0 337.552 3.388 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947080 1367909090 /nfs/dbraw/zinc/90/90/90/1367909090.db2.gz HLEVZGSYRBFWBO-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684518 1367926265 /nfs/dbraw/zinc/92/62/65/1367926265.db2.gz NGAXGUWBEPPGHJ-DTGBZTBESA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001110693982 1367932125 /nfs/dbraw/zinc/93/21/25/1367932125.db2.gz XWDXQPUNHXGUDK-ZRNYENFQSA-N 2 0 347.547 3.185 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001110736728 1367954619 /nfs/dbraw/zinc/95/46/19/1367954619.db2.gz KIMRXHBTWWNNRJ-QRVBRYPASA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754221 1367961683 /nfs/dbraw/zinc/96/16/83/1367961683.db2.gz JRQFVWISBMPKPP-XWHCPSPJSA-N 2 0 347.547 3.185 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857929 1368038666 /nfs/dbraw/zinc/03/86/66/1368038666.db2.gz XJFKXCLIDZMDTI-QRVBRYPASA-N 2 0 335.536 3.019 20 0 EGADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC001193516935 1368051350 /nfs/dbraw/zinc/05/13/50/1368051350.db2.gz KIPIOASBQVYHOD-SFHVURJKSA-N 2 0 328.504 3.480 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571556 1368064808 /nfs/dbraw/zinc/06/48/08/1368064808.db2.gz TZJBECUZECLDJI-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934616 1368104675 /nfs/dbraw/zinc/10/46/75/1368104675.db2.gz JNDSDZTZMQKPHI-ZFTSPJNCSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099663 1368158588 /nfs/dbraw/zinc/15/85/88/1368158588.db2.gz QWWKQWKTXBENIS-AFYVEPGGSA-N 2 0 349.563 3.122 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111165532 1368176000 /nfs/dbraw/zinc/17/60/00/1368176000.db2.gz MWOBADSPNFSJRQ-WTGUMLROSA-N 2 0 343.515 3.201 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001111235065 1368210307 /nfs/dbraw/zinc/21/03/07/1368210307.db2.gz XKKSAZYENAGHQP-NBYUQASBSA-N 2 0 343.515 3.119 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273901 1368221689 /nfs/dbraw/zinc/22/16/89/1368221689.db2.gz BSLDNDQDGJWMFU-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111460024 1368311021 /nfs/dbraw/zinc/31/10/21/1368311021.db2.gz LJPOFSRQFNZXBR-KURKYZTESA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467705 1368312679 /nfs/dbraw/zinc/31/26/79/1368312679.db2.gz SJZDWBYJWHBFHQ-ZRNYENFQSA-N 2 0 349.563 3.409 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC001325319095 1387932932 /nfs/dbraw/zinc/93/29/32/1387932932.db2.gz KOEKHZQYBDIGAA-HNNXBMFYSA-N 2 0 328.456 3.458 20 0 EGADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2)[NH+](C)C ZINC001111788966 1368462407 /nfs/dbraw/zinc/46/24/07/1368462407.db2.gz RLRPUKDJDFCKFK-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)CC1 ZINC001111858170 1368509648 /nfs/dbraw/zinc/50/96/48/1368509648.db2.gz RJYLJQQVASVMJE-XSNSTOHYSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC001111947677 1368570389 /nfs/dbraw/zinc/57/03/89/1368570389.db2.gz VFBVNOMIJIMENZ-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367335 1368599158 /nfs/dbraw/zinc/59/91/58/1368599158.db2.gz XYVOEEOZVXOODX-UHFFFAOYSA-N 2 0 346.519 3.023 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196717923 1368669125 /nfs/dbraw/zinc/66/91/25/1368669125.db2.gz GKUNLZHNAONMKP-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+](CCCC(C)C)CC2)C1 ZINC001196890595 1368708558 /nfs/dbraw/zinc/70/85/58/1368708558.db2.gz RWQPNYXLPRYIDP-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963760 1368722264 /nfs/dbraw/zinc/72/22/64/1368722264.db2.gz YSWBGGOFZWJHJL-IBGZPJMESA-N 2 0 349.494 3.153 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001196970388 1368723606 /nfs/dbraw/zinc/72/36/06/1368723606.db2.gz BNCADYOVWMKPGD-UHFFFAOYSA-N 2 0 345.531 3.186 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)CCn2ccnc2C(C)C)CC1 ZINC001197324052 1368787839 /nfs/dbraw/zinc/78/78/39/1368787839.db2.gz LUPOESFQTURKBD-UHFFFAOYSA-N 2 0 334.508 3.121 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330875 1368789037 /nfs/dbraw/zinc/78/90/37/1368789037.db2.gz FBUXUOMEZGNCBC-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001112382469 1368810288 /nfs/dbraw/zinc/81/02/88/1368810288.db2.gz ZNXCBIQEBNDBBW-ZVDOUQERSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112397035 1368822704 /nfs/dbraw/zinc/82/27/04/1368822704.db2.gz PSYHSVISHYROGY-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540028 1368920589 /nfs/dbraw/zinc/92/05/89/1368920589.db2.gz BQVSVMCPEICXFR-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001325416314 1387968702 /nfs/dbraw/zinc/96/87/02/1387968702.db2.gz LHFXNABZPLUCJW-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578788 1368935357 /nfs/dbraw/zinc/93/53/57/1368935357.db2.gz GXFHBQSCJLEPRJ-GVZHBMFQSA-N 2 0 347.547 3.047 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001198260077 1368992243 /nfs/dbraw/zinc/99/22/43/1368992243.db2.gz WWFMHXMFEYSIPV-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C/CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966160 1369113086 /nfs/dbraw/zinc/11/30/86/1369113086.db2.gz UPCOJOJGOORZBX-GHOSXJJBSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCCC[NH+]1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001113146964 1369228496 /nfs/dbraw/zinc/22/84/96/1369228496.db2.gz ZALBIQUCSQHLHL-UHFFFAOYSA-N 2 0 345.531 3.129 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[NH+](CCCC(C)(C)C)CC2)CCCC1 ZINC001113161056 1369235922 /nfs/dbraw/zinc/23/59/22/1369235922.db2.gz UHMMNGKIJLMFCZ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@H+](CC(=O)N1CC[NH+](CCC2CCCCC2)CC1)CC(C)(C)C ZINC001113353020 1369364536 /nfs/dbraw/zinc/36/45/36/1369364536.db2.gz IMOVCRNLNYGHML-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577606 1369392628 /nfs/dbraw/zinc/39/26/28/1369392628.db2.gz BGWHBLMCQRCQSV-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402831 1369400810 /nfs/dbraw/zinc/40/08/10/1369400810.db2.gz GZSOGOKKVCMYCK-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113402928 1369400993 /nfs/dbraw/zinc/40/09/93/1369400993.db2.gz LLCZCJGFGLNYQC-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053452 1369472992 /nfs/dbraw/zinc/47/29/92/1369472992.db2.gz PRFGEQUSNMZKQI-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[NH+]1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001113528965 1369479771 /nfs/dbraw/zinc/47/97/71/1369479771.db2.gz YDDOFQKXHIOAAB-FPLPWBNLSA-N 2 0 337.552 3.389 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001113536490 1369483110 /nfs/dbraw/zinc/48/31/10/1369483110.db2.gz SGTZRDRHSKHIBD-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201229659 1369499995 /nfs/dbraw/zinc/49/99/95/1369499995.db2.gz FPTDGQMBIJOJJP-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001201392545 1369534355 /nfs/dbraw/zinc/53/43/55/1369534355.db2.gz ACSHVOMPYKHFLJ-SNAWJCMRSA-N 2 0 340.471 3.193 20 0 EGADRP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001201390140 1369534613 /nfs/dbraw/zinc/53/46/13/1369534613.db2.gz RSYIRTZTPIFTSH-SFHVURJKSA-N 2 0 336.520 3.306 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)nc2ccccc12 ZINC001201649222 1369596423 /nfs/dbraw/zinc/59/64/23/1369596423.db2.gz PQSQUPHAKAXJNJ-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP Cc1ccc(-n2nccc2Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201657851 1369598011 /nfs/dbraw/zinc/59/80/11/1369598011.db2.gz OIEDSZMLQIUONV-UHFFFAOYSA-N 2 0 348.454 3.071 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(-c4ccccc4)cnn3)cc[nH+]2)CC1 ZINC001201658906 1369598413 /nfs/dbraw/zinc/59/84/13/1369598413.db2.gz MSNYGXKJMPUZLS-UHFFFAOYSA-N 2 0 346.438 3.034 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc(Br)c3)cc[nH+]2)CC1 ZINC001201665177 1369599629 /nfs/dbraw/zinc/59/96/29/1369599629.db2.gz ARNWDFYIPQIJSG-UHFFFAOYSA-N 2 0 347.260 3.340 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(OCC4CC4)cc3)cc[nH+]2)CC1 ZINC001201667214 1369601440 /nfs/dbraw/zinc/60/14/40/1369601440.db2.gz NPGHUOHZSOQPOY-UHFFFAOYSA-N 2 0 338.455 3.366 20 0 EGADRP CC(=O)c1ccc(Cl)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201667631 1369601615 /nfs/dbraw/zinc/60/16/15/1369601615.db2.gz WJHRIIAAVDQYGF-UHFFFAOYSA-N 2 0 344.846 3.433 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001202316068 1369736301 /nfs/dbraw/zinc/73/63/01/1369736301.db2.gz MMRMEQJOYAOKCZ-UHFFFAOYSA-N 2 0 345.531 3.016 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1)[NH+](CC)CC ZINC001202473900 1369782972 /nfs/dbraw/zinc/78/29/72/1369782972.db2.gz RTXZNLLCRDXFCT-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001202940075 1369932222 /nfs/dbraw/zinc/93/22/22/1369932222.db2.gz LXFMIWOHRRIYLF-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccc(F)cc1 ZINC001203010837 1369952668 /nfs/dbraw/zinc/95/26/68/1369952668.db2.gz WUIDLZMMDKBEJX-IBGZPJMESA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCC3CCC3)C23CCC3)CCC1 ZINC001203027555 1369959126 /nfs/dbraw/zinc/95/91/26/1369959126.db2.gz GONZDXNJAPNIMJ-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001203133483 1369993316 /nfs/dbraw/zinc/99/33/16/1369993316.db2.gz SGXHATGOJDYKLN-MSOLQXFVSA-N 2 0 340.471 3.011 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230612 1370033084 /nfs/dbraw/zinc/03/30/84/1370033084.db2.gz OLWIXRGFDKCFSK-QZTJIDSGSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203255813 1370044337 /nfs/dbraw/zinc/04/43/37/1370044337.db2.gz FJBKHCANWPYPEC-ROUUACIJSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001203283878 1370061896 /nfs/dbraw/zinc/06/18/96/1370061896.db2.gz WKIVYWCMOAQCDZ-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203295246 1370067191 /nfs/dbraw/zinc/06/71/91/1370067191.db2.gz HTWGKNYLMDECHA-OAQYLSRUSA-N 2 0 345.531 3.234 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH2+]CC=C(C)C)CC1)c1ccccc1 ZINC001203313929 1370078375 /nfs/dbraw/zinc/07/83/75/1370078375.db2.gz WBWMDLXXTCXOBU-HXUWFJFHSA-N 2 0 343.515 3.226 20 0 EGADRP CC[C@H](F)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313850 1370078433 /nfs/dbraw/zinc/07/84/33/1370078433.db2.gz UJLLYGPHWICQLS-PKOBYXMFSA-N 2 0 349.494 3.008 20 0 EGADRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4Cl)C[C@@H]3C2)cn1 ZINC001203379111 1370105807 /nfs/dbraw/zinc/10/58/07/1370105807.db2.gz OPKCEZLDKJCTPG-AEFFLSMTSA-N 2 0 344.890 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001203431914 1370123069 /nfs/dbraw/zinc/12/30/69/1370123069.db2.gz VCDBKCGBCVYCDI-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203521112 1370153614 /nfs/dbraw/zinc/15/36/14/1370153614.db2.gz ITAAGKJZZGMJBB-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203523276 1370154645 /nfs/dbraw/zinc/15/46/45/1370154645.db2.gz QAORIKUEWHCDHM-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203576491 1370176547 /nfs/dbraw/zinc/17/65/47/1370176547.db2.gz DWVKBJWMZPTTRN-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@]1(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC[NH2+]C1 ZINC001325856192 1388056114 /nfs/dbraw/zinc/05/61/14/1388056114.db2.gz SDUXDTWPTXHICJ-NRFANRHFSA-N 2 0 343.515 3.289 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC001203741266 1370244129 /nfs/dbraw/zinc/24/41/29/1370244129.db2.gz ZYOSSNJJPAFZOL-UHFFFAOYSA-N 2 0 343.515 3.033 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1C)C2 ZINC001203747463 1370247050 /nfs/dbraw/zinc/24/70/50/1370247050.db2.gz GKIPNFJSSPGZJW-YADHBBJMSA-N 2 0 342.527 3.484 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2 ZINC001203769965 1370257567 /nfs/dbraw/zinc/25/75/67/1370257567.db2.gz DETHNPRJLRFJFW-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203772206 1370259036 /nfs/dbraw/zinc/25/90/36/1370259036.db2.gz QKVVDWVJPWVORT-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(Oc2ccccc2)c1 ZINC001203816154 1370275032 /nfs/dbraw/zinc/27/50/32/1370275032.db2.gz YWMQKHUMLHKYDD-UHFFFAOYSA-N 2 0 339.483 3.158 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203870339 1370295085 /nfs/dbraw/zinc/29/50/85/1370295085.db2.gz ZTSQATWEVWOMPG-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001203887187 1370299943 /nfs/dbraw/zinc/29/99/43/1370299943.db2.gz ABKAVGFVUVNIEY-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001203925532 1370316909 /nfs/dbraw/zinc/31/69/09/1370316909.db2.gz REKWJXMSDMJIGO-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1 ZINC001204176607 1370400547 /nfs/dbraw/zinc/40/05/47/1370400547.db2.gz SNQSFVLFKZLQAZ-YADHBBJMSA-N 2 0 342.527 3.429 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001204267382 1370427378 /nfs/dbraw/zinc/42/73/78/1370427378.db2.gz RMHQHZLNLMJWSX-QUCCMNQESA-N 2 0 332.488 3.018 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115535095 1370532304 /nfs/dbraw/zinc/53/23/04/1370532304.db2.gz JQUJRYMNMUGVTK-ACBHZAAOSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535365 1370532406 /nfs/dbraw/zinc/53/24/06/1370532406.db2.gz SRKOZEAUXAIUKW-MSOLQXFVSA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+](C)Cc1ccc(-c2cc(OC3CC[NH+](C)CC3)ccn2)cc1 ZINC001204625374 1370532713 /nfs/dbraw/zinc/53/27/13/1370532713.db2.gz HOVPDUCUVDKBCF-UHFFFAOYSA-N 2 0 325.456 3.283 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)CC[N@@H+]1C ZINC001115544880 1370541974 /nfs/dbraw/zinc/54/19/74/1370541974.db2.gz GFYJXXQPJJAVOF-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP Fc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC(F)F ZINC001204742991 1370561489 /nfs/dbraw/zinc/56/14/89/1370561489.db2.gz WAKNPPPQUPQYSA-UHFFFAOYSA-N 2 0 328.378 3.393 20 0 EGADRP [NH3+]CC[C@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)CCO1 ZINC001204755729 1370567652 /nfs/dbraw/zinc/56/76/52/1370567652.db2.gz HTXYKSKGQHLYMK-KRWDZBQOSA-N 2 0 332.394 3.181 20 0 EGADRP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)CCO1 ZINC001204756989 1370569157 /nfs/dbraw/zinc/56/91/57/1370569157.db2.gz VWUYFYSIZREDMS-QGZVFWFLSA-N 2 0 332.394 3.181 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1)C1CC1 ZINC001115572953 1370575226 /nfs/dbraw/zinc/57/52/26/1370575226.db2.gz AZQKLLIPUNAJJI-LJQANCHMSA-N 2 0 347.547 3.236 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1)C1CCC1 ZINC001115573938 1370576764 /nfs/dbraw/zinc/57/67/64/1370576764.db2.gz YSCRPNJHKNIXGH-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP COc1cc(CO)ccc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001204819861 1370583144 /nfs/dbraw/zinc/58/31/44/1370583144.db2.gz QNOSQTIDGGEUTJ-UHFFFAOYSA-N 2 0 340.467 3.025 20 0 EGADRP O=C(NCC1([NH2+]C/C=C/Cl)CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001115630223 1370623214 /nfs/dbraw/zinc/62/32/14/1370623214.db2.gz FSPLUWAWZAFQLB-RUDMXATFSA-N 2 0 346.862 3.109 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648189 1370637343 /nfs/dbraw/zinc/63/73/43/1370637343.db2.gz DXLWIZQEISJURL-LJQANCHMSA-N 2 0 347.547 3.236 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)c2)cc1 ZINC001205219437 1370684826 /nfs/dbraw/zinc/68/48/26/1370684826.db2.gz CXXGHEMYWCJYTI-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)ccc21 ZINC001205221204 1370686479 /nfs/dbraw/zinc/68/64/79/1370686479.db2.gz RFAJOBFUFCZQHH-OAQYLSRUSA-N 2 0 337.467 3.007 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001205231088 1370689136 /nfs/dbraw/zinc/68/91/36/1370689136.db2.gz WPGWCTRIHIQIJK-AWEZNQCLSA-N 2 0 336.785 3.035 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)CC1 ZINC001205248604 1370695640 /nfs/dbraw/zinc/69/56/40/1370695640.db2.gz QHVXBKOTVUOXKZ-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285345 1370706940 /nfs/dbraw/zinc/70/69/40/1370706940.db2.gz WGYMHWRWOLKQEQ-FMEUAVTJSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1)[NH+](CC)CC ZINC001115726926 1370707779 /nfs/dbraw/zinc/70/77/79/1370707779.db2.gz XSSFXFQNPLSQJW-QSOAKEGCSA-N 2 0 343.943 3.268 20 0 EGADRP CC(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205296483 1370711645 /nfs/dbraw/zinc/71/16/45/1370711645.db2.gz APKOFQMKIILCDU-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(CC)CC)CC1 ZINC001205420467 1370749606 /nfs/dbraw/zinc/74/96/06/1370749606.db2.gz VOFUTUFGPZSCCF-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461561 1370762951 /nfs/dbraw/zinc/76/29/51/1370762951.db2.gz NMASKJHITQWHRB-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461347 1370762963 /nfs/dbraw/zinc/76/29/63/1370762963.db2.gz HMNAJUBNBMEKFN-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCn1cc(CN2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001205557517 1370790028 /nfs/dbraw/zinc/79/00/28/1370790028.db2.gz TUXZBADJHJZRCB-NRFANRHFSA-N 2 0 338.499 3.391 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)s2)cc1 ZINC001205559539 1370791423 /nfs/dbraw/zinc/79/14/23/1370791423.db2.gz RUCVDPJMHCRYNX-GOSISDBHSA-N 2 0 349.475 3.472 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)c1Cl ZINC001205592339 1370803794 /nfs/dbraw/zinc/80/37/94/1370803794.db2.gz TXSXICIYARCBEY-MRXNPFEDSA-N 2 0 330.831 3.010 20 0 EGADRP Cc1cccc(Br)c1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592575 1370804186 /nfs/dbraw/zinc/80/41/86/1370804186.db2.gz WOLDOBFFUCDFPB-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601804 1370806144 /nfs/dbraw/zinc/80/61/44/1370806144.db2.gz GNZRRHMSVWLFGR-HMXCVIKNSA-N 3 0 329.532 3.205 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205601624 1370806703 /nfs/dbraw/zinc/80/67/03/1370806703.db2.gz FLFBSOOHUXCHLD-CRAIPNDOSA-N 2 0 326.488 3.296 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205602574 1370806841 /nfs/dbraw/zinc/80/68/41/1370806841.db2.gz JYBAEMBJNHOAER-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC(F)(F)F)c1 ZINC001205627172 1370816409 /nfs/dbraw/zinc/81/64/09/1370816409.db2.gz NKIKXKIWQRJQSM-STQMWFEESA-N 2 0 346.393 3.401 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1OC(F)(F)F ZINC001205628331 1370817606 /nfs/dbraw/zinc/81/76/06/1370817606.db2.gz VCPXXHSRDNJXPM-OCCSQVGLSA-N 2 0 346.393 3.401 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205637809 1370821547 /nfs/dbraw/zinc/82/15/47/1370821547.db2.gz IXGLKSNPZVHBFE-UKRRQHHQSA-N 2 0 338.879 3.324 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205637408 1370822120 /nfs/dbraw/zinc/82/21/20/1370822120.db2.gz GVUUDQSINJKMGT-LSDHHAIUSA-N 2 0 332.879 3.333 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651630 1370828882 /nfs/dbraw/zinc/82/88/82/1370828882.db2.gz HSTPAHFUXXNIPQ-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)cc2)cc1 ZINC001205672337 1370838171 /nfs/dbraw/zinc/83/81/71/1370838171.db2.gz IZVAJNUALIJYPZ-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001205725459 1370852473 /nfs/dbraw/zinc/85/24/73/1370852473.db2.gz HXEOJOOBZJAEDD-FQEVSTJZSA-N 2 0 346.421 3.308 20 0 EGADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCc1cccc(Br)c1 ZINC001205903003 1370906336 /nfs/dbraw/zinc/90/63/36/1370906336.db2.gz MKJLTUQBOHNVDF-ZFWWWQNUSA-N 2 0 325.294 3.441 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c2c1 ZINC001205923213 1370912264 /nfs/dbraw/zinc/91/22/64/1370912264.db2.gz KZIBDZBIELWMCO-GJZGRUSLSA-N 2 0 328.456 3.416 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(F)F ZINC001205992075 1370932156 /nfs/dbraw/zinc/93/21/56/1370932156.db2.gz DGDBBIZKTZGYEB-OCCSQVGLSA-N 2 0 328.403 3.103 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(F)c2Br)CCC[C@@H]1C[NH3+] ZINC001205994079 1370933313 /nfs/dbraw/zinc/93/33/13/1370933313.db2.gz IYWXDASFQPOYOO-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)no2)cc1 ZINC001205996712 1370933381 /nfs/dbraw/zinc/93/33/81/1370933381.db2.gz XVZXYHLKHFYGFF-GOEBONIOSA-N 2 0 329.444 3.157 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206023293 1370940842 /nfs/dbraw/zinc/94/08/42/1370940842.db2.gz FQHWXUYVOPGSGS-ZIAGYGMSSA-N 2 0 338.879 3.324 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206028248 1370943168 /nfs/dbraw/zinc/94/31/68/1370943168.db2.gz XXTJWFSHKLDCPS-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)n21 ZINC001206036696 1370944851 /nfs/dbraw/zinc/94/48/51/1370944851.db2.gz OCENMEPKWBGJDB-LSDHHAIUSA-N 2 0 332.517 3.253 20 0 EGADRP CN(CCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccccc1 ZINC001326041243 1388104677 /nfs/dbraw/zinc/10/46/77/1388104677.db2.gz QGBNMDXUAOHCID-GOSISDBHSA-N 2 0 326.488 3.201 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001206287294 1371013410 /nfs/dbraw/zinc/01/34/10/1371013410.db2.gz BKEVNLRUMVBUEJ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001206296728 1371013774 /nfs/dbraw/zinc/01/37/74/1371013774.db2.gz UJMFIDAAOJQCKA-OAQYLSRUSA-N 3 0 329.532 3.350 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(O)c2Br)CC1 ZINC001206310856 1371017624 /nfs/dbraw/zinc/01/76/24/1371017624.db2.gz DLAVNZNHPASAIY-OAHLLOKOSA-N 2 0 327.266 3.106 20 0 EGADRP CN(C)c1ncccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001117616711 1371055894 /nfs/dbraw/zinc/05/58/94/1371055894.db2.gz GVRUZUNDDKSVNC-GOSISDBHSA-N 2 0 330.520 3.236 20 0 EGADRP C[C@@]1(C[NH3+])CCCCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206541765 1371087325 /nfs/dbraw/zinc/08/73/25/1371087325.db2.gz JRWLRFCQHVEJIX-SFTDATJTSA-N 2 0 329.532 3.350 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206548499 1371090697 /nfs/dbraw/zinc/09/06/97/1371090697.db2.gz PYKBMZUENRYYIF-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001206572636 1371096556 /nfs/dbraw/zinc/09/65/56/1371096556.db2.gz FOEVQKOCHISXTO-GOSISDBHSA-N 2 0 332.879 3.477 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001118059913 1371126613 /nfs/dbraw/zinc/12/66/13/1371126613.db2.gz UVEOYGLEINTLTA-QFBILLFUSA-N 2 0 326.488 3.416 20 0 EGADRP CC(C)Sc1nc2sccn2c1CN1C[C@H](C[NH3+])CC[C@H]1C ZINC001206767912 1371157873 /nfs/dbraw/zinc/15/78/73/1371157873.db2.gz GBXUWAXAFSMFJB-OLZOCXBDSA-N 2 0 338.546 3.456 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c2ccccc12 ZINC001206810808 1371176781 /nfs/dbraw/zinc/17/67/81/1371176781.db2.gz PSPOOLWZRPDOEC-HUUCEWRRSA-N 2 0 328.456 3.416 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001206886353 1371208064 /nfs/dbraw/zinc/20/80/64/1371208064.db2.gz HCJWZZDWBKXXGG-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccccc2C)CC1 ZINC001206889268 1371208639 /nfs/dbraw/zinc/20/86/39/1371208639.db2.gz IUJNWKBRFDAVFR-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001206890349 1371209969 /nfs/dbraw/zinc/20/99/69/1371209969.db2.gz NFNBGEDMFDNVAG-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206935677 1371232295 /nfs/dbraw/zinc/23/22/95/1371232295.db2.gz POGRHOMAQFBZSC-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001206974589 1371254260 /nfs/dbraw/zinc/25/42/60/1371254260.db2.gz JMSRIFGWZTVPCN-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP CCN1CCC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206992408 1371261469 /nfs/dbraw/zinc/26/14/69/1371261469.db2.gz UJEQGPCKUZJJGB-OAQYLSRUSA-N 3 0 329.532 3.363 20 0 EGADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001119090631 1371275585 /nfs/dbraw/zinc/27/55/85/1371275585.db2.gz IGMXVZXZUAMIDM-DNVCBOLYSA-N 2 0 339.483 3.294 20 0 EGADRP C[NH+](C)CC(C)(C)CN(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001207284133 1371350598 /nfs/dbraw/zinc/35/05/98/1371350598.db2.gz JVKSTNMGQYLVQX-UHFFFAOYSA-N 2 0 335.511 3.310 20 0 EGADRP C[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(C)O ZINC001207287642 1371351576 /nfs/dbraw/zinc/35/15/76/1371351576.db2.gz VJWKWYBOBKNBCV-GHTZIAJQSA-N 2 0 330.516 3.382 20 0 EGADRP COC(=O)[C@H]1C[C@@H](C)C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290680 1371352309 /nfs/dbraw/zinc/35/23/09/1371352309.db2.gz AQZOIQNPJCBCCR-XLIONFOSSA-N 2 0 344.499 3.030 20 0 EGADRP COC(=O)[C@@H]1C[C@H](C)C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290676 1371352317 /nfs/dbraw/zinc/35/23/17/1371352317.db2.gz AQZOIQNPJCBCCR-FXAWDEMLSA-N 2 0 344.499 3.030 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@H](N4CCCC4)C3)CC2)cc1 ZINC001207290400 1371353020 /nfs/dbraw/zinc/35/30/20/1371353020.db2.gz BHFWREKTYVEIIL-NRFANRHFSA-N 2 0 327.516 3.069 20 0 EGADRP CCOC(=O)[C@H]1CCCC[N@@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292144 1371353187 /nfs/dbraw/zinc/35/31/87/1371353187.db2.gz LCMDWUYALDEGSW-HXUWFJFHSA-N 2 0 344.499 3.316 20 0 EGADRP c1cnn(C2CC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001207293377 1371353684 /nfs/dbraw/zinc/35/36/84/1371353684.db2.gz INZNJIZIEVUSTP-UHFFFAOYSA-N 2 0 338.499 3.432 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](CCc3ccc(Br)cc3)C2)CC1 ZINC001207386025 1371381713 /nfs/dbraw/zinc/38/17/13/1371381713.db2.gz QZPNQOUCNUCZEL-UHFFFAOYSA-N 2 0 337.305 3.409 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001207396523 1371384245 /nfs/dbraw/zinc/38/42/45/1371384245.db2.gz KIUVHTRHKGUCJV-LEWJYISDSA-N 2 0 328.500 3.367 20 0 EGADRP CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207401528 1371385902 /nfs/dbraw/zinc/38/59/02/1371385902.db2.gz ORIBNYPRNNJWTL-WOJBJXKFSA-N 2 0 344.499 3.487 20 0 EGADRP Cn1ccnc1C[C@@H]1CCC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001119691117 1371388914 /nfs/dbraw/zinc/38/89/14/1371388914.db2.gz GJQURCXVXNGVGJ-HDYDNRTBSA-N 2 0 339.483 3.422 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC001119700956 1371390706 /nfs/dbraw/zinc/39/07/06/1371390706.db2.gz CHMBNASJGIRNAM-IAGOWNOFSA-N 2 0 347.503 3.116 20 0 EGADRP CN(Cc1ccc(Cl)cc1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207440848 1371396661 /nfs/dbraw/zinc/39/66/61/1371396661.db2.gz HMFFUUPMTGIJMF-UHFFFAOYSA-N 2 0 335.923 3.236 20 0 EGADRP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207440653 1371397089 /nfs/dbraw/zinc/39/70/89/1371397089.db2.gz BAPUXPHZCLJPJV-UHFFFAOYSA-N 2 0 345.487 3.391 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207482586 1371409485 /nfs/dbraw/zinc/40/94/85/1371409485.db2.gz YHQMFBIMWMOAFM-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)Cc1cncc(Br)c1 ZINC001207481625 1371409517 /nfs/dbraw/zinc/40/95/17/1371409517.db2.gz MEZDDHMTWMNYNO-UHFFFAOYSA-N 2 0 326.282 3.008 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487639 1371410780 /nfs/dbraw/zinc/41/07/80/1371410780.db2.gz PFSVOMBVACIETN-FGZHOGPDSA-N 3 0 341.543 3.172 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001207487827 1371411205 /nfs/dbraw/zinc/41/12/05/1371411205.db2.gz UAVJLDIKWZYTGV-JOCHJYFZSA-N 2 0 341.543 3.459 20 0 EGADRP C[C@H]1Cc2cc(C[NH2+]C3CCC(C)([NH+]4CCOCC4)CC3)ccc2O1 ZINC001207485457 1371411290 /nfs/dbraw/zinc/41/12/90/1371411290.db2.gz QSPWEANUXZQPEM-YQHFOJDRSA-N 2 0 344.499 3.133 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c(Cl)nc4ccccn43)C[C@H]2C1 ZINC001119990765 1371445532 /nfs/dbraw/zinc/44/55/32/1371445532.db2.gz YNEATYBWKLUPBK-RBSFLKMASA-N 2 0 332.879 3.150 20 0 EGADRP c1cc(CN2CCOC3(CC[NH+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)co1 ZINC001207620562 1371453822 /nfs/dbraw/zinc/45/38/22/1371453822.db2.gz QZQLLKIAZISTFD-SXLOBPIMSA-N 2 0 342.483 3.159 20 0 EGADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207626226 1371456866 /nfs/dbraw/zinc/45/68/66/1371456866.db2.gz BZCNBIHSXKLMGH-HGJUEJDCSA-N 2 0 330.516 3.021 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC001207724544 1371486272 /nfs/dbraw/zinc/48/62/72/1371486272.db2.gz ZVHCDZWDVQSOFK-RVKKMQEKSA-N 2 0 332.488 3.127 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120188689 1371502206 /nfs/dbraw/zinc/50/22/06/1371502206.db2.gz BUPKAKWAAPCKQQ-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001120207753 1371504060 /nfs/dbraw/zinc/50/40/60/1371504060.db2.gz DLEIMFCSWDXWQN-UHFFFAOYSA-N 2 0 349.494 3.075 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790196 1371505399 /nfs/dbraw/zinc/50/53/99/1371505399.db2.gz MZSDXOUGILAESB-JFIYKMOQSA-N 2 0 337.552 3.122 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207956 1371505566 /nfs/dbraw/zinc/50/55/66/1371505566.db2.gz NZITWTBAGJDHQA-BQYQJAHWSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001120208037 1371505616 /nfs/dbraw/zinc/50/56/16/1371505616.db2.gz RMCOSHIXONTVAX-QRVBRYPASA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1)c1ccccc1 ZINC001207906285 1371534738 /nfs/dbraw/zinc/53/47/38/1371534738.db2.gz MUHUHTZKLSDPCJ-GOSISDBHSA-N 2 0 338.499 3.141 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421657 1371568169 /nfs/dbraw/zinc/56/81/69/1371568169.db2.gz BCYMNCBBKOZILL-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001120430914 1371573829 /nfs/dbraw/zinc/57/38/29/1371573829.db2.gz NZSGIPJMUAUWLP-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430542 1371574557 /nfs/dbraw/zinc/57/45/57/1371574557.db2.gz LOWXWMHKKMEJMQ-RLWBPELLSA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120450589 1371581263 /nfs/dbraw/zinc/58/12/63/1371581263.db2.gz WUEPSAAYHSUVOL-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001120449695 1371581749 /nfs/dbraw/zinc/58/17/49/1371581749.db2.gz OZMXJCUVSPXGMO-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccccc1C[NH+](C)C ZINC001120466302 1371586306 /nfs/dbraw/zinc/58/63/06/1371586306.db2.gz ALNYQKLBGQGEAK-UHFFFAOYSA-N 2 0 343.446 3.314 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC001120495509 1371592331 /nfs/dbraw/zinc/59/23/31/1371592331.db2.gz PMCJCOQKXWRSSM-HXUWFJFHSA-N 2 0 326.484 3.065 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4(C)CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001208110889 1371597634 /nfs/dbraw/zinc/59/76/34/1371597634.db2.gz XBINHCJVMSTZFA-OYRHEFFESA-N 3 0 341.543 3.091 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)CC1 ZINC001208113771 1371599257 /nfs/dbraw/zinc/59/92/57/1371599257.db2.gz OFYXIHIYYQQJRS-UHFFFAOYSA-N 2 0 342.483 3.218 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001208113862 1371600200 /nfs/dbraw/zinc/60/02/00/1371600200.db2.gz JCEKNBSPDJZHOI-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC[NH+](CCN(C)C)CC3)CC2)cc1 ZINC001208126985 1371603744 /nfs/dbraw/zinc/60/37/44/1371603744.db2.gz ZPHLWDZPSUNJNH-UHFFFAOYSA-N 2 0 329.532 3.235 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129103 1371604508 /nfs/dbraw/zinc/60/45/08/1371604508.db2.gz OIWWBGPRWVZMSG-ZHALLVOQSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CC1(CN2CC[NH+](CCc3cccs3)CC2)CCCC1 ZINC001208192287 1371630011 /nfs/dbraw/zinc/63/00/11/1371630011.db2.gz SJLNNDQLGLJXAL-UHFFFAOYSA-N 2 0 335.561 3.030 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001208225549 1371663752 /nfs/dbraw/zinc/66/37/52/1371663752.db2.gz LTYMGZXMYGVSBS-HNNXBMFYSA-N 2 0 330.472 3.153 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208280009 1371696431 /nfs/dbraw/zinc/69/64/31/1371696431.db2.gz XHODLDFIXRHPEF-PWBPZBFBSA-N 2 0 335.536 3.188 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331057 1371720548 /nfs/dbraw/zinc/72/05/48/1371720548.db2.gz KDEQJHYOPFFFFM-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334282 1371722352 /nfs/dbraw/zinc/72/23/52/1371722352.db2.gz HQSJZEUMTAERDX-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001208454399 1371772547 /nfs/dbraw/zinc/77/25/47/1371772547.db2.gz WNASAXXWNHNOJK-IBGZPJMESA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)C[C@@H](CNc1nccnc1C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC001120896950 1371799518 /nfs/dbraw/zinc/79/95/18/1371799518.db2.gz UUOMFSQPPBFNAB-WBVHZDCISA-N 2 0 327.476 3.113 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](CC)CC ZINC001208576028 1371824467 /nfs/dbraw/zinc/82/44/67/1371824467.db2.gz ZTIZDFKMWLJYOJ-KURKYZTESA-N 2 0 339.568 3.370 20 0 EGADRP CCN(CC[NH+]1CCC2(CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC001208578047 1371825657 /nfs/dbraw/zinc/82/56/57/1371825657.db2.gz IEVFYEUURQVRFS-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001208589807 1371829828 /nfs/dbraw/zinc/82/98/28/1371829828.db2.gz YWXJRVTYQBEFSO-NHCUHLMSSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN(c3nccc4ccccc43)CC2)CC1 ZINC001208597964 1371835210 /nfs/dbraw/zinc/83/52/10/1371835210.db2.gz NXMPISIURYTYJU-UHFFFAOYSA-N 2 0 338.499 3.089 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001208604328 1371837398 /nfs/dbraw/zinc/83/73/98/1371837398.db2.gz LUEDZRNNOCNNTC-IRXDYDNUSA-N 2 0 333.907 3.335 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208611730 1371840671 /nfs/dbraw/zinc/84/06/71/1371840671.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 2 0 345.531 3.298 20 0 EGADRP C[N@H+](Cc1ccc(F)cc1)C1CCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208619887 1371844748 /nfs/dbraw/zinc/84/47/48/1371844748.db2.gz ZBTXFOVSSUSDSV-GOSISDBHSA-N 2 0 333.495 3.064 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619083 1371845358 /nfs/dbraw/zinc/84/53/58/1371845358.db2.gz VDIBZKDGPQZATG-VXKWHMMOSA-N 2 0 341.543 3.316 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232589 1371901722 /nfs/dbraw/zinc/90/17/22/1371901722.db2.gz GCVXMPKSQCGTCB-PPDYRMFTSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121245004 1371906139 /nfs/dbraw/zinc/90/61/39/1371906139.db2.gz BAPFJLPHXBRPCX-XAWSSXOWSA-N 2 0 349.563 3.026 20 0 EGADRP C[NH+](C)CCN(CCCc1ccc(Cl)c(Cl)c1)CC[NH+](C)C ZINC001208838751 1371912023 /nfs/dbraw/zinc/91/20/23/1371912023.db2.gz VMBGRWVOZGIDIW-UHFFFAOYSA-N 2 0 346.346 3.351 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121294937 1371926164 /nfs/dbraw/zinc/92/61/64/1371926164.db2.gz ITHHOESMMIGZAG-GEUNIFFNSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121325681 1371937511 /nfs/dbraw/zinc/93/75/11/1371937511.db2.gz KZBVOJSBVLUGIV-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+](CC3CCN(c4ccccc4)CC3)C[C@H]2C1 ZINC001208910679 1371940260 /nfs/dbraw/zinc/94/02/60/1371940260.db2.gz IZEXCTAPUCBLAX-WOJBJXKFSA-N 2 0 327.516 3.177 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+]4CCCC[C@@H]4C3)C2)cc1 ZINC001208936198 1371951547 /nfs/dbraw/zinc/95/15/47/1371951547.db2.gz MMPSSTAXOXICBK-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208937108 1371955152 /nfs/dbraw/zinc/95/51/52/1371955152.db2.gz REXDHJQJXTVPQT-VQTJNVASSA-N 2 0 344.499 3.174 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208948229 1371958053 /nfs/dbraw/zinc/95/80/53/1371958053.db2.gz FRNMWZHTXYZJES-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP COC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208947445 1371958401 /nfs/dbraw/zinc/95/84/01/1371958401.db2.gz KDUMEUZMVJIZKT-UXHICEINSA-N 2 0 344.499 3.174 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001208990738 1371969710 /nfs/dbraw/zinc/96/97/10/1371969710.db2.gz IXEMOKODRQEZJS-QGZVFWFLSA-N 2 0 339.524 3.048 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC001209186387 1372030501 /nfs/dbraw/zinc/03/05/01/1372030501.db2.gz XXRASHPJLOCDPE-VXKWHMMOSA-N 2 0 335.495 3.386 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CCCC(C)C)C2)C1 ZINC001209204757 1372038179 /nfs/dbraw/zinc/03/81/79/1372038179.db2.gz LISRHEZJWFQVJS-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250719 1372050731 /nfs/dbraw/zinc/05/07/31/1372050731.db2.gz IMVDPNTWYZTOFA-NEPBSLMDSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001209325340 1372069663 /nfs/dbraw/zinc/06/96/63/1372069663.db2.gz ZAXZTLAUHRBPRF-MOPGFXCFSA-N 2 0 345.531 3.287 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854400 1372103619 /nfs/dbraw/zinc/10/36/19/1372103619.db2.gz OCBUFSDGMYNLHF-PMRGXDQWSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854399 1372103967 /nfs/dbraw/zinc/10/39/67/1372103967.db2.gz OCBUFSDGMYNLHF-GGQJKKPXSA-N 2 0 347.547 3.234 20 0 EGADRP COC(=O)CCCN(CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209448415 1372108337 /nfs/dbraw/zinc/10/83/37/1372108337.db2.gz QGOYAYNXKBGJTC-UHFFFAOYSA-N 2 0 332.488 3.318 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(CC[NH3+])cc1)c1ccccc1 ZINC001121921330 1372123473 /nfs/dbraw/zinc/12/34/73/1372123473.db2.gz OPBVBOURSHRSEK-MRXNPFEDSA-N 2 0 339.483 3.047 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651400 1372161458 /nfs/dbraw/zinc/16/14/58/1372161458.db2.gz SGKBTYYRBHZHFV-XLIONFOSSA-N 2 0 345.531 3.031 20 0 EGADRP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N(C)C2CCC([NH3+])CC2)c1 ZINC001326421303 1388183476 /nfs/dbraw/zinc/18/34/76/1388183476.db2.gz PHSXCKCBJQEQSW-SOAGJPPSSA-N 2 0 343.515 3.078 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001209688249 1372170589 /nfs/dbraw/zinc/17/05/89/1372170589.db2.gz CCXHYVYBCQBETB-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733576 1372179275 /nfs/dbraw/zinc/17/92/75/1372179275.db2.gz FXANOMIRRYLANM-ZJOUEHCJSA-N 2 0 336.483 3.105 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c2cccnc21 ZINC001209749496 1372183988 /nfs/dbraw/zinc/18/39/88/1372183988.db2.gz ZWKOSNIDYGKLHN-KDURUIRLSA-N 2 0 346.478 3.137 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122249888 1372211699 /nfs/dbraw/zinc/21/16/99/1372211699.db2.gz ZZBWNZSVZVDYTL-FUSSNKQKSA-N 2 0 337.552 3.026 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190187 1372291279 /nfs/dbraw/zinc/29/12/79/1372291279.db2.gz RVTCRDCXSXMLLJ-RTBURBONSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC(C)C)C1)C(C)C ZINC001210189653 1372291312 /nfs/dbraw/zinc/29/13/12/1372291312.db2.gz LBFRTYLJSWIIGP-MOPGFXCFSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1C ZINC001210237058 1372301229 /nfs/dbraw/zinc/30/12/29/1372301229.db2.gz XUINRRGXAYQJGW-KZNAEPCWSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210494537 1372365757 /nfs/dbraw/zinc/36/57/57/1372365757.db2.gz VWTJLHPJOODKHU-SUJSUNJESA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210494531 1372366014 /nfs/dbraw/zinc/36/60/14/1372366014.db2.gz VWTJLHPJOODKHU-ACGJQVIASA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC001210499373 1372366985 /nfs/dbraw/zinc/36/69/85/1372366985.db2.gz XIAJXMGOIIWKBV-JTDSTZFVSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001210634056 1372396994 /nfs/dbraw/zinc/39/69/94/1372396994.db2.gz KMWVBOIFWFHRLG-IBGZPJMESA-N 2 0 337.552 3.435 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210690747 1372408734 /nfs/dbraw/zinc/40/87/34/1372408734.db2.gz PCFMNWXGJPBKHQ-INIZCTEOSA-N 2 0 346.519 3.168 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001210744054 1372417566 /nfs/dbraw/zinc/41/75/66/1372417566.db2.gz NVXYCYKDYGGFAT-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1F ZINC001210743232 1372417730 /nfs/dbraw/zinc/41/77/30/1372417730.db2.gz HGIBAUFZTQNHME-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001210796408 1372428373 /nfs/dbraw/zinc/42/83/73/1372428373.db2.gz FXVZERXVIBCBPX-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001210797524 1372428535 /nfs/dbraw/zinc/42/85/35/1372428535.db2.gz UCTVCAYWCNXOGN-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240618 1372509523 /nfs/dbraw/zinc/50/95/23/1372509523.db2.gz NWQMJMILPGDAMM-VZSQWMKGSA-N 2 0 335.536 3.189 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001211240529 1372509563 /nfs/dbraw/zinc/50/95/63/1372509563.db2.gz MDLRQGAGPZELPA-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001211250129 1372511517 /nfs/dbraw/zinc/51/15/17/1372511517.db2.gz RZOCQJCIMRWPPN-GOSISDBHSA-N 2 0 349.494 3.082 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211257911 1372514750 /nfs/dbraw/zinc/51/47/50/1372514750.db2.gz WWRHJAJMVJTILE-OALUTQOASA-N 2 0 335.536 3.044 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001326473794 1388206708 /nfs/dbraw/zinc/20/67/08/1388206708.db2.gz OAKGGFGOJSDNHR-IRXDYDNUSA-N 3 0 333.520 3.330 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001188083623 1388238928 /nfs/dbraw/zinc/23/89/28/1388238928.db2.gz FPMZHKWLQVWGJF-WOJBJXKFSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001214990588 1373152399 /nfs/dbraw/zinc/15/23/99/1373152399.db2.gz XAWOWQHOEMLZNI-RVKKMQEKSA-N 2 0 349.494 3.054 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001215004022 1373154520 /nfs/dbraw/zinc/15/45/20/1373154520.db2.gz PZPZIEQZUXQYNS-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCF)C1 ZINC001215972872 1373252862 /nfs/dbraw/zinc/25/28/62/1373252862.db2.gz AMTSFNCRLIWQCC-QZTJIDSGSA-N 2 0 343.531 3.075 20 0 EGADRP C[NH2+]Cc1cccc(-n2cc(N)c(=[NH2+])c(-c3cccc(F)c3)c2)c1F ZINC001216222275 1373284515 /nfs/dbraw/zinc/28/45/15/1373284515.db2.gz ZSEZECJHIMTLKG-UHFFFAOYSA-N 2 0 340.377 3.204 20 0 EGADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001216828929 1373348417 /nfs/dbraw/zinc/34/84/17/1373348417.db2.gz OZYYYVANUWYFHW-VQIMIIECSA-N 2 0 345.531 3.235 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C)c1ccc(F)cc1 ZINC001216851696 1373351653 /nfs/dbraw/zinc/35/16/53/1373351653.db2.gz GKNBVIKIHIHWRS-AYOQOUSVSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001216953941 1373370339 /nfs/dbraw/zinc/37/03/39/1373370339.db2.gz KVBLRYRTEQHBIJ-LZLYRXPVSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001129328768 1373372593 /nfs/dbraw/zinc/37/25/93/1373372593.db2.gz STXKUQHVGVVIGR-IBGZPJMESA-N 2 0 337.552 3.031 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1cccc2ccccc21 ZINC001129380910 1373378349 /nfs/dbraw/zinc/37/83/49/1373378349.db2.gz NXHNWUGRTIZXIP-MRXNPFEDSA-N 2 0 339.483 3.091 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001129421942 1373382116 /nfs/dbraw/zinc/38/21/16/1373382116.db2.gz DSSWZUZBHABSPB-FQEVSTJZSA-N 2 0 345.531 3.108 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190545 1388261453 /nfs/dbraw/zinc/26/14/53/1388261453.db2.gz ZRBADQCOODMCGP-XUVXKRRUSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccc(Cl)cc1 ZINC001129949634 1373439823 /nfs/dbraw/zinc/43/98/23/1373439823.db2.gz GVQZIVWOGSNAOP-SJORKVTESA-N 2 0 339.911 3.083 20 0 EGADRP C[NH2+][C@H](CC(C)C)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217715026 1373494048 /nfs/dbraw/zinc/49/40/48/1373494048.db2.gz QYLINXPPMZPOHT-DLBZAZTESA-N 2 0 328.460 3.366 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001130427677 1373534254 /nfs/dbraw/zinc/53/42/54/1373534254.db2.gz RKTMPNFFZRVLNG-UHFFFAOYSA-N 2 0 339.568 3.275 20 0 EGADRP Cc1c(C(=O)NCC[NH2+][C@H]2CCCc3ccccc32)ccc2c[nH+]cn21 ZINC001130658817 1373577146 /nfs/dbraw/zinc/57/71/46/1373577146.db2.gz RAAATCHGSSDTDO-FQEVSTJZSA-N 2 0 348.450 3.040 20 0 EGADRP C[NH+]1C(C)(C)CC(Oc2cccc(N3CC[NH2+]CC3)c2)CC1(C)C ZINC001218315652 1373594485 /nfs/dbraw/zinc/59/44/85/1373594485.db2.gz JPJWUASGSJGDPT-UHFFFAOYSA-N 2 0 331.504 3.126 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ncc(-c2ccccc2)s1 ZINC001218523630 1373629897 /nfs/dbraw/zinc/62/98/97/1373629897.db2.gz ILESYVOJODSFAE-HNNXBMFYSA-N 2 0 346.500 3.244 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)c3csc([C@H]4CCC[NH2+]4)n3)cc2)CCC1 ZINC001218973800 1373673077 /nfs/dbraw/zinc/67/30/77/1373673077.db2.gz NAWHWVGLAPGBKM-CQSZACIVSA-N 2 0 342.468 3.158 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1)Cc1ccccc1 ZINC001218996684 1373676334 /nfs/dbraw/zinc/67/63/34/1373676334.db2.gz MQXJWNVQZNTONI-IBGZPJMESA-N 2 0 337.467 3.224 20 0 EGADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC001218997682 1373676901 /nfs/dbraw/zinc/67/69/01/1373676901.db2.gz VVLDOKVLNOIZTL-SFHVURJKSA-N 2 0 349.478 3.023 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001219349729 1373702676 /nfs/dbraw/zinc/70/26/76/1373702676.db2.gz WRGDHTXGZMCPLS-IBGZPJMESA-N 2 0 337.467 3.304 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131794440 1373808514 /nfs/dbraw/zinc/80/85/14/1373808514.db2.gz ZKQFMNMVAUFUMC-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799578 1373809725 /nfs/dbraw/zinc/80/97/25/1373809725.db2.gz SEIYCSHQSIZNFN-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346596 1388294382 /nfs/dbraw/zinc/29/43/82/1388294382.db2.gz RJTZJFSBCIAMPS-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001326747975 1388298028 /nfs/dbraw/zinc/29/80/28/1388298028.db2.gz NVSVFANLGINTAC-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001326760333 1388301443 /nfs/dbraw/zinc/30/14/43/1388301443.db2.gz PSRGTVZKUVUKQU-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223163907 1375033840 /nfs/dbraw/zinc/03/38/40/1375033840.db2.gz ATERRNUTPBXXJI-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](OCCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001224746370 1375073993 /nfs/dbraw/zinc/07/39/93/1375073993.db2.gz APQZZUDVHCYKRX-PCCBWWKXSA-N 2 0 328.500 3.400 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001224884691 1375082100 /nfs/dbraw/zinc/08/21/00/1375082100.db2.gz YWJDEFJDODRZAL-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001225245133 1375099415 /nfs/dbraw/zinc/09/94/15/1375099415.db2.gz POOBKFSYGMDWRN-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132105906 1375151160 /nfs/dbraw/zinc/15/11/60/1375151160.db2.gz OGIKFQNWIBVCAY-WMZOPIPTSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132128168 1375160949 /nfs/dbraw/zinc/16/09/49/1375160949.db2.gz JNCDQCPSOHFFSZ-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140820 1375167121 /nfs/dbraw/zinc/16/71/21/1375167121.db2.gz LELLGYQIMQWKGC-IRXDYDNUSA-N 2 0 337.552 3.409 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)C)C1 ZINC001132154278 1375174292 /nfs/dbraw/zinc/17/42/92/1375174292.db2.gz YCMLXOWMQWSOMZ-IRXDYDNUSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCC1CCCCC1 ZINC001132265498 1375254104 /nfs/dbraw/zinc/25/41/04/1375254104.db2.gz NVNDZWXHUDUGTI-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCC1CCCCC1 ZINC001132265497 1375254269 /nfs/dbraw/zinc/25/42/69/1375254269.db2.gz NVNDZWXHUDUGTI-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265578 1375254426 /nfs/dbraw/zinc/25/44/26/1375254426.db2.gz PAZBNXXRWRRUTN-LOYZYROESA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC1CCCCCC1 ZINC001132270992 1375258819 /nfs/dbraw/zinc/25/88/19/1375258819.db2.gz YKWQJHFMUFYKOQ-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]2C)cc1 ZINC001132374961 1375336577 /nfs/dbraw/zinc/33/65/77/1375336577.db2.gz BHKONFXBFXISNM-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001132416897 1375364343 /nfs/dbraw/zinc/36/43/43/1375364343.db2.gz ODLQPARSUYQBSB-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132435781 1375379648 /nfs/dbraw/zinc/37/96/48/1375379648.db2.gz GTKVANBBMYCVPZ-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132435083 1375379737 /nfs/dbraw/zinc/37/97/37/1375379737.db2.gz AXGUCSWTYIVSKI-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227150643 1375398083 /nfs/dbraw/zinc/39/80/83/1375398083.db2.gz XAQRNBIQBQQIML-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132492114 1375423586 /nfs/dbraw/zinc/42/35/86/1375423586.db2.gz CKVSQKYAMOPWPC-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001132492097 1375423872 /nfs/dbraw/zinc/42/38/72/1375423872.db2.gz CEAMGIOCSZEPDH-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517415 1375435678 /nfs/dbraw/zinc/43/56/78/1375435678.db2.gz CBYNOUQYUZMERV-ICSRJNTNSA-N 2 0 345.531 3.113 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CCCCC1 ZINC001132517313 1375436095 /nfs/dbraw/zinc/43/60/95/1375436095.db2.gz AUGFWGXEEZUZAW-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132518750 1375437176 /nfs/dbraw/zinc/43/71/76/1375437176.db2.gz NSIOZAYNONHHNP-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548487 1375454130 /nfs/dbraw/zinc/45/41/30/1375454130.db2.gz DOSMGPIYCARJPA-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2c[nH]cn2)CC1 ZINC001227705394 1375464214 /nfs/dbraw/zinc/46/42/14/1375464214.db2.gz GCECWVGEYUXSRY-LJQANCHMSA-N 2 0 340.471 3.074 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001228053341 1375512659 /nfs/dbraw/zinc/51/26/59/1375512659.db2.gz DNOKHLRKAPTXQF-FMIVXFBMSA-N 2 0 343.515 3.011 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001228261325 1375536870 /nfs/dbraw/zinc/53/68/70/1375536870.db2.gz JMFWKTVWSKXDBL-XUVXKRRUSA-N 2 0 343.515 3.033 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001228441063 1375572555 /nfs/dbraw/zinc/57/25/55/1375572555.db2.gz SWGIKVAFNXSKCR-WAYWQWQTSA-N 2 0 349.563 3.435 20 0 EGADRP COCC[NH+]1CCC(Oc2ccc3ccccc3c2C[NH+](C)C)CC1 ZINC001228442719 1375573154 /nfs/dbraw/zinc/57/31/54/1375573154.db2.gz WYCASNYRKLVATM-UHFFFAOYSA-N 2 0 342.483 3.391 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001132936901 1375657037 /nfs/dbraw/zinc/65/70/37/1375657037.db2.gz FEZCLTHVYWOCFE-PKOBYXMFSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001228852804 1375694138 /nfs/dbraw/zinc/69/41/38/1375694138.db2.gz KBEJXQZURGFEME-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)c1ccc(Cl)cc1 ZINC001132985968 1375694370 /nfs/dbraw/zinc/69/43/70/1375694370.db2.gz YTIBZUYYWKLZGA-ZDUSSCGKSA-N 2 0 349.862 3.075 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133084757 1375766066 /nfs/dbraw/zinc/76/60/66/1375766066.db2.gz XDYPDJSLRUBWPR-YKMDAGRBSA-N 2 0 349.563 3.149 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C\Cl)cc1 ZINC001229126729 1375770361 /nfs/dbraw/zinc/77/03/61/1375770361.db2.gz KSGZEBGPPJSRRI-QCTRQELDSA-N 2 0 349.906 3.131 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001229172015 1375780616 /nfs/dbraw/zinc/78/06/16/1375780616.db2.gz TZDDKKAKXXNOQN-GNISGLHKSA-N 2 0 337.552 3.434 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)C(C)C ZINC001229194068 1375784958 /nfs/dbraw/zinc/78/49/58/1375784958.db2.gz ITRNKIGWFXKMDB-CZUZPLPMSA-N 2 0 343.943 3.122 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001229253319 1375795341 /nfs/dbraw/zinc/79/53/41/1375795341.db2.gz BPGCZKFVFWJSER-OALUTQOASA-N 2 0 349.494 3.198 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133178827 1375826157 /nfs/dbraw/zinc/82/61/57/1375826157.db2.gz XWZULXZPGPOJSU-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133224825 1375853162 /nfs/dbraw/zinc/85/31/62/1375853162.db2.gz FCRZORNOVBHIEC-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655932 1375872439 /nfs/dbraw/zinc/87/24/39/1375872439.db2.gz WBPYYNUJBUEFMR-JBVUFVISSA-N 2 0 337.552 3.290 20 0 EGADRP CCC(=O)C1(c2cccc(O[C@H]3CCC[N@H+](C)C3)c2)CC[NH+](C)CC1 ZINC001229733657 1375883217 /nfs/dbraw/zinc/88/32/17/1375883217.db2.gz NHIYBIDAQDBJOJ-IBGZPJMESA-N 2 0 344.499 3.102 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001229807916 1375896937 /nfs/dbraw/zinc/89/69/37/1375896937.db2.gz JGLKWAPWSLUZFA-RTBURBONSA-N 2 0 335.536 3.236 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](CC2CCC2)CC1)c1ccccc1 ZINC001230017470 1375932006 /nfs/dbraw/zinc/93/20/06/1375932006.db2.gz WNGXXTZURQWZLL-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230074449 1375941127 /nfs/dbraw/zinc/94/11/27/1375941127.db2.gz PGFRNHQJDMNHMK-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@H](C(=O)N(CC[NH2+]C(C)C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001133399540 1375984226 /nfs/dbraw/zinc/98/42/26/1375984226.db2.gz RZDAQLRACXOEOU-QGZVFWFLSA-N 2 0 339.911 3.007 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1)[NH+](C)C ZINC001133434492 1376003759 /nfs/dbraw/zinc/00/37/59/1376003759.db2.gz ULEXUOBXKFUTTD-DAWZGUTISA-N 2 0 339.568 3.131 20 0 EGADRP CCC(CC)C[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230431461 1376029292 /nfs/dbraw/zinc/02/92/92/1376029292.db2.gz GBGOQJJRJSVVNZ-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP Nc1[nH]c2ccc(O[C@H]3CCC[N@H+](Cc4ccccc4F)C3)cc2[nH+]1 ZINC001230516161 1376049209 /nfs/dbraw/zinc/04/92/09/1376049209.db2.gz OTYGEZHYONSTOC-HNNXBMFYSA-N 2 0 340.402 3.328 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592178 1376089983 /nfs/dbraw/zinc/08/99/83/1376089983.db2.gz UFDWAYRKEJYTFE-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001230618434 1376104071 /nfs/dbraw/zinc/10/40/71/1376104071.db2.gz OCGXWNVKNAONGX-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](CC)CC ZINC001133684728 1376153065 /nfs/dbraw/zinc/15/30/65/1376153065.db2.gz MDMBJXKDXNLOCN-IBGZPJMESA-N 2 0 347.547 3.310 20 0 EGADRP CCc1ccc(CN(CC[NH+](CC)CC)CC[NH+](CC)CC)nc1 ZINC001231642010 1376291052 /nfs/dbraw/zinc/29/10/52/1376291052.db2.gz NJTAJRIGJRQWHZ-UHFFFAOYSA-N 2 0 334.552 3.130 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232011589 1376381621 /nfs/dbraw/zinc/38/16/21/1376381621.db2.gz GRGKYEBEGMDWGQ-LJQANCHMSA-N 2 0 342.443 3.148 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCCCC4)CC3)cn2)CC1 ZINC001232360379 1376449196 /nfs/dbraw/zinc/44/91/96/1376449196.db2.gz GSGGOCDNHGTSAU-UHFFFAOYSA-N 2 0 342.531 3.380 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(N)nc1)CC2 ZINC001232366672 1376450394 /nfs/dbraw/zinc/45/03/94/1376450394.db2.gz XHIGTCRXDKFKSX-SFHVURJKSA-N 2 0 340.471 3.133 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584722 1376608701 /nfs/dbraw/zinc/60/87/01/1376608701.db2.gz WKQMMMAZUGRPIT-IRXDYDNUSA-N 2 0 345.531 3.106 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001134612413 1376624922 /nfs/dbraw/zinc/62/49/22/1376624922.db2.gz MDQJBFZXTGFHBI-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134782001 1376717980 /nfs/dbraw/zinc/71/79/80/1376717980.db2.gz CIQOOTLPHVKFTG-XXCOWLKOSA-N 2 0 346.519 3.137 20 0 EGADRP CN(CCC[N@H+](C)C/C=C\Cl)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001327239360 1388459398 /nfs/dbraw/zinc/45/93/98/1388459398.db2.gz NEMSDPGUMGZYPA-WQLSENKSSA-N 2 0 343.943 3.031 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857778 1376757523 /nfs/dbraw/zinc/75/75/23/1376757523.db2.gz JEHSMJXZRODUQB-ROUUACIJSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1)[NH2+]CC1CC(C)(C)C1 ZINC001134892088 1376771133 /nfs/dbraw/zinc/77/11/33/1376771133.db2.gz JXTTUOBDKVKGQH-CABCVRRESA-N 2 0 342.487 3.257 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189110534 1388459968 /nfs/dbraw/zinc/45/99/68/1388459968.db2.gz RCZKIGMTDWIYMR-IPMKNSEASA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134992721 1376832373 /nfs/dbraw/zinc/83/23/73/1376832373.db2.gz AGJVDLKXTOUYQZ-HUUCEWRRSA-N 2 0 342.487 3.257 20 0 EGADRP CCOc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036861 1376836608 /nfs/dbraw/zinc/83/66/08/1376836608.db2.gz OFOCTJMLVUHFGM-DYESRHJHSA-N 2 0 340.467 3.049 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235243917 1376863175 /nfs/dbraw/zinc/86/31/75/1376863175.db2.gz ZRPLOCOWXWXAMZ-FQEVSTJZSA-N 3 0 333.495 3.241 20 0 EGADRP Clc1ccn2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430405 1376872622 /nfs/dbraw/zinc/87/26/22/1376872622.db2.gz XDRRRNFKCYEFHO-HUUCEWRRSA-N 2 0 332.879 3.199 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082265 1376886268 /nfs/dbraw/zinc/88/62/68/1376886268.db2.gz ZUZYSHJXZVDWBX-ZWKOTPCHSA-N 2 0 345.531 3.324 20 0 EGADRP CCOc1cc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)c(F)cn1 ZINC001235874788 1376906244 /nfs/dbraw/zinc/90/62/44/1376906244.db2.gz SGUBATZEVLMRDI-UHFFFAOYSA-N 2 0 343.446 3.457 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1OCC1CC1 ZINC001235886683 1376911110 /nfs/dbraw/zinc/91/11/10/1376911110.db2.gz CQBYJBAIXOFPFP-LJQANCHMSA-N 2 0 344.499 3.448 20 0 EGADRP Cc1cc(Br)c(F)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227054 1376943386 /nfs/dbraw/zinc/94/33/86/1376943386.db2.gz YKRGTOMRYGEZFI-UHFFFAOYSA-N 2 0 329.257 3.471 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001135179851 1376952495 /nfs/dbraw/zinc/95/24/95/1376952495.db2.gz AJNWOQFLSFFUCL-CVEARBPZSA-N 2 0 349.494 3.073 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1cc2ccccc2o1)NC(=O)CCC[NH+](C)C ZINC001135314413 1377033228 /nfs/dbraw/zinc/03/32/28/1377033228.db2.gz AJYJTNIBMRAVFT-HZPDHXFCSA-N 2 0 345.487 3.148 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001135336720 1377044948 /nfs/dbraw/zinc/04/49/48/1377044948.db2.gz IMWCHCIRZLZEJM-HXUWFJFHSA-N 2 0 339.483 3.219 20 0 EGADRP COc1ccc(C2([NH2+][C@@H](C)CCOCC(C)C)CC[NH2+]CC2)cc1 ZINC001246381703 1377051513 /nfs/dbraw/zinc/05/15/13/1377051513.db2.gz UPGKAQHUPVAIHW-KRWDZBQOSA-N 2 0 334.504 3.315 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC[NH2+]1 ZINC001246382221 1377051552 /nfs/dbraw/zinc/05/15/52/1377051552.db2.gz BEJKETUHULRCLH-ZWKOTPCHSA-N 2 0 329.488 3.214 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246383145 1377051744 /nfs/dbraw/zinc/05/17/44/1377051744.db2.gz DMNQPLZZSLXKAT-UXHICEINSA-N 3 0 347.522 3.104 20 0 EGADRP CC[C@@H]1CC(N2CC[C@@H](OC(=O)OC(C)(C)C)C2)C[C@@H](CC)[NH2+]1 ZINC001246542650 1377052065 /nfs/dbraw/zinc/05/20/65/1377052065.db2.gz WPFCHHZHVJBBKJ-IIAWOOMASA-N 2 0 326.481 3.322 20 0 EGADRP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722088 1377053493 /nfs/dbraw/zinc/05/34/93/1377053493.db2.gz GXVFWTHEHVXXQF-XSYGEPLQSA-N 2 0 329.488 3.093 20 0 EGADRP CCCC[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246749141 1377054563 /nfs/dbraw/zinc/05/45/63/1377054563.db2.gz VIFRBOWKESETNH-UOVPBQLFSA-N 2 0 347.528 3.239 20 0 EGADRP Fc1ccc(CN2CCC[N@@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246822058 1377055023 /nfs/dbraw/zinc/05/50/23/1377055023.db2.gz LXROZHDQVFEVPD-HXUWFJFHSA-N 2 0 345.506 3.256 20 0 EGADRP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[NH2+][C@@H](CC(C)C)C2)CC[NH2+]1 ZINC001246822661 1377055306 /nfs/dbraw/zinc/05/53/06/1377055306.db2.gz MQZBNFOJZOSTKU-BJLQDIEVSA-N 2 0 333.495 3.247 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1cc2ccccc2s1)NC(=O)CC[NH+](C)C ZINC001135372834 1377060539 /nfs/dbraw/zinc/06/05/39/1377060539.db2.gz TUARGYKLUIOZBE-LSDHHAIUSA-N 2 0 347.528 3.226 20 0 EGADRP Clc1ccc(-c2noc([C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247908321 1377065372 /nfs/dbraw/zinc/06/53/72/1377065372.db2.gz YHPGBASSAUWNCE-CQSZACIVSA-N 2 0 346.862 3.321 20 0 EGADRP CC[N@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254530077 1377106988 /nfs/dbraw/zinc/10/69/88/1377106988.db2.gz UPMFWLMHGNUQGE-IAGOWNOFSA-N 2 0 339.524 3.192 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526682 1377107403 /nfs/dbraw/zinc/10/74/03/1377107403.db2.gz STROCVWABRHPKW-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468704 1377108358 /nfs/dbraw/zinc/10/83/58/1377108358.db2.gz SFJNNLHMTRMSFV-GNBGVQPESA-N 2 0 337.552 3.338 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135472393 1377109422 /nfs/dbraw/zinc/10/94/22/1377109422.db2.gz WFQYGZCYXQHPMJ-IAGOWNOFSA-N 2 0 345.531 3.077 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)C(C)C ZINC001135478053 1377111643 /nfs/dbraw/zinc/11/16/43/1377111643.db2.gz VAYULXLQGSGEOI-SFHVURJKSA-N 2 0 339.568 3.275 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481227 1377114091 /nfs/dbraw/zinc/11/40/91/1377114091.db2.gz ROTFXWSJYQKVEJ-OALUTQOASA-N 2 0 347.547 3.224 20 0 EGADRP CCCC[C@H](Cc1ccccc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001258701652 1377119146 /nfs/dbraw/zinc/11/91/46/1377119146.db2.gz LNDVETWYXKPIFJ-HXUWFJFHSA-N 2 0 331.548 3.404 20 0 EGADRP COc1ccccc1C[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001258882714 1377120844 /nfs/dbraw/zinc/12/08/44/1377120844.db2.gz AUDNACTYAATADY-QGZVFWFLSA-N 2 0 339.483 3.057 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614011 1377162356 /nfs/dbraw/zinc/16/23/56/1377162356.db2.gz LACJZASZZHZDPJ-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614051 1377162365 /nfs/dbraw/zinc/16/23/65/1377162365.db2.gz LRRZGWGNLJXYSC-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675509 1377180929 /nfs/dbraw/zinc/18/09/29/1377180929.db2.gz HJPKBFAOVPLGMK-IAGOWNOFSA-N 2 0 333.520 3.425 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135690176 1377184396 /nfs/dbraw/zinc/18/43/96/1377184396.db2.gz FMEDCQQUBNSJHH-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135705826 1377190254 /nfs/dbraw/zinc/19/02/54/1377190254.db2.gz JPYHNVCTPDSZKH-SJORKVTESA-N 2 0 345.531 3.279 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135706636 1377190776 /nfs/dbraw/zinc/19/07/76/1377190776.db2.gz XVTFSISLGGNUGL-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135747759 1377200349 /nfs/dbraw/zinc/20/03/49/1377200349.db2.gz UPXBDEIQEHVJHU-RBUKOAKNSA-N 2 0 347.547 3.224 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001135789770 1377212343 /nfs/dbraw/zinc/21/23/43/1377212343.db2.gz ZPYZMOYBFGFOEE-SJORKVTESA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF)CC1 ZINC001135823381 1377222388 /nfs/dbraw/zinc/22/23/88/1377222388.db2.gz ACYBLZVEPVJSAL-IRXDYDNUSA-N 2 0 343.531 3.120 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823522 1377222445 /nfs/dbraw/zinc/22/24/45/1377222445.db2.gz BUMOMOYIGBKMRU-ZWKOTPCHSA-N 2 0 339.568 3.416 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266224659 1377235820 /nfs/dbraw/zinc/23/58/20/1377235820.db2.gz BZWQGYJGQDUXPA-KRWDZBQOSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135857712 1377237231 /nfs/dbraw/zinc/23/72/31/1377237231.db2.gz MWOVWXHYDOJFPD-OLZOCXBDSA-N 2 0 345.940 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135976994 1377284617 /nfs/dbraw/zinc/28/46/17/1377284617.db2.gz PHTAIXOPYVNAJF-CHWSQXEVSA-N 2 0 345.940 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135975869 1377284631 /nfs/dbraw/zinc/28/46/31/1377284631.db2.gz DQYKVWRNYFCIJA-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001266632318 1377352685 /nfs/dbraw/zinc/35/26/85/1377352685.db2.gz AGTDKVMOHJFTFM-KNTRFNDTSA-N 2 0 345.531 3.448 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001267071117 1377409946 /nfs/dbraw/zinc/40/99/46/1377409946.db2.gz DQBSRNHMWZUFHI-AEFFLSMTSA-N 2 0 345.531 3.045 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC1CCCCCC1 ZINC001268224316 1377497950 /nfs/dbraw/zinc/49/79/50/1377497950.db2.gz SBMOMTDNXISVER-MOPGFXCFSA-N 2 0 339.568 3.273 20 0 EGADRP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CC1CCCCC1 ZINC001269485900 1377556543 /nfs/dbraw/zinc/55/65/43/1377556543.db2.gz DNLYZJAASBUSBS-LJQANCHMSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](C(=O)NCCC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001270125182 1377594686 /nfs/dbraw/zinc/59/46/86/1377594686.db2.gz SZCHOBNMEQBWBW-YLJYHZDGSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1CN(C)C1CC[NH+](C)CC1 ZINC001138500553 1377733657 /nfs/dbraw/zinc/73/36/57/1377733657.db2.gz AIJZRCOPUKVRKX-UHFFFAOYSA-N 2 0 326.488 3.074 20 0 EGADRP CNc1ncccc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138695268 1377769490 /nfs/dbraw/zinc/76/94/90/1377769490.db2.gz ZXBQMMCLSCTGRR-UYAOXDASSA-N 2 0 336.483 3.077 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001138772190 1377782285 /nfs/dbraw/zinc/78/22/85/1377782285.db2.gz TVWWGNOYVJPYNA-OAQYLSRUSA-N 2 0 346.515 3.408 20 0 EGADRP COc1cccc(CC[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138772736 1377782383 /nfs/dbraw/zinc/78/23/83/1377782383.db2.gz ZINNGNZOZUBBHJ-UHFFFAOYSA-N 2 0 342.483 3.310 20 0 EGADRP Nc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)s1 ZINC001139226328 1377855923 /nfs/dbraw/zinc/85/59/23/1377855923.db2.gz QWUXQRKJQKSPOV-UHFFFAOYSA-N 2 0 348.541 3.275 20 0 EGADRP OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC001139356197 1377872610 /nfs/dbraw/zinc/87/26/10/1377872610.db2.gz IDEYYZDIEBFOML-HZPDHXFCSA-N 2 0 339.361 3.008 20 0 EGADRP COc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1Cl ZINC001139614485 1377917901 /nfs/dbraw/zinc/91/79/01/1377917901.db2.gz IBDSJOZKMDBNHF-UHFFFAOYSA-N 2 0 341.927 3.054 20 0 EGADRP [O-]c1cnccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001140278198 1378039040 /nfs/dbraw/zinc/03/90/40/1378039040.db2.gz OBKGFDJVEOAQFK-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccncn2)CC3)c1 ZINC001140343464 1378049848 /nfs/dbraw/zinc/04/98/48/1378049848.db2.gz HMAZMRMMYNPVDX-UHFFFAOYSA-N 2 0 328.485 3.026 20 0 EGADRP CC(C)CN1CCC2(CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273134633 1378090020 /nfs/dbraw/zinc/09/00/20/1378090020.db2.gz CSZYSPSXNKXVOB-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)CCCC(C)(C)C ZINC001273591311 1378103947 /nfs/dbraw/zinc/10/39/47/1378103947.db2.gz NEFUCSHNHCJPRY-SFHVURJKSA-N 2 0 339.568 3.467 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC3(CC(F)C3)CC2)CC1 ZINC001140970782 1378196119 /nfs/dbraw/zinc/19/61/19/1378196119.db2.gz UGHFDTHETDDGAO-UHFFFAOYSA-N 2 0 331.479 3.153 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCCc3ccccc3C2)CC1 ZINC001140974158 1378198152 /nfs/dbraw/zinc/19/81/52/1378198152.db2.gz VTBOTDIMBQPGOI-UHFFFAOYSA-N 2 0 335.495 3.387 20 0 EGADRP c1cn2ccc(C[NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)cc2n1 ZINC001141046499 1378219111 /nfs/dbraw/zinc/21/91/11/1378219111.db2.gz CLPLKRDRRXFWRQ-UHFFFAOYSA-N 2 0 346.478 3.432 20 0 EGADRP Cc1ncoc1CN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001141053657 1378222491 /nfs/dbraw/zinc/22/24/91/1378222491.db2.gz LDNXBAQSBVVTMS-JRBPQWBISA-N 2 0 327.472 3.378 20 0 EGADRP Cc1nc[nH]c1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001141455154 1378327569 /nfs/dbraw/zinc/32/75/69/1378327569.db2.gz DVCHAYNBFUUJDG-CQSZACIVSA-N 2 0 326.444 3.131 20 0 EGADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC001142307044 1378432765 /nfs/dbraw/zinc/43/27/65/1378432765.db2.gz QSSAIKKBCIDAJS-KURKYZTESA-N 2 0 337.552 3.218 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978376 1378520991 /nfs/dbraw/zinc/52/09/91/1378520991.db2.gz PVERCMRPKXHJKO-IBGZPJMESA-N 2 0 342.874 3.325 20 0 EGADRP COc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)ccc1C(F)(F)F ZINC001143352147 1378585852 /nfs/dbraw/zinc/58/58/52/1378585852.db2.gz KGDPJQGTCPMXIX-UHFFFAOYSA-N 2 0 328.378 3.242 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)CC(C)C ZINC001144190007 1378695697 /nfs/dbraw/zinc/69/56/97/1378695697.db2.gz PYKSGTHVXLITQZ-MHORFTMASA-N 2 0 325.541 3.120 20 0 EGADRP CCc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001144321523 1378716254 /nfs/dbraw/zinc/71/62/54/1378716254.db2.gz OWGHLPUJAHBSDE-UHFFFAOYSA-N 2 0 338.499 3.100 20 0 EGADRP Cc1nc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)sc1C ZINC001144364681 1378720856 /nfs/dbraw/zinc/72/08/56/1378720856.db2.gz WFFNKAJZVSBUSY-MSOLQXFVSA-N 2 0 342.512 3.109 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC(C)(C)c1ccccc1 ZINC001144731770 1378765437 /nfs/dbraw/zinc/76/54/37/1378765437.db2.gz YBHLHQKTIHWJQB-UHFFFAOYSA-N 2 0 347.547 3.086 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001146337516 1378819995 /nfs/dbraw/zinc/81/99/95/1378819995.db2.gz CWOAQRRFPBSOHK-ROUUACIJSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001146339101 1378820864 /nfs/dbraw/zinc/82/08/64/1378820864.db2.gz JLWVBXHXEANFII-RTBURBONSA-N 2 0 345.531 3.081 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001146533854 1378861312 /nfs/dbraw/zinc/86/13/12/1378861312.db2.gz HRGPPPSDARLEES-IAGOWNOFSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001146593892 1378872876 /nfs/dbraw/zinc/87/28/76/1378872876.db2.gz RCLPMNLOWZTTRD-GJZGRUSLSA-N 2 0 347.494 3.025 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC001146718858 1378907154 /nfs/dbraw/zinc/90/71/54/1378907154.db2.gz ILJYFMKRMHXNSU-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC001146746955 1378912072 /nfs/dbraw/zinc/91/20/72/1378912072.db2.gz PDHJSVHGDUMVCT-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001147359719 1379009259 /nfs/dbraw/zinc/00/92/59/1379009259.db2.gz UOKLEVSCILUACL-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CC1CCC(C)CC1)c1ccccc1 ZINC001147457315 1379024951 /nfs/dbraw/zinc/02/49/51/1379024951.db2.gz DVLUUCAQZITDOL-QLOJAFMTSA-N 2 0 345.531 3.212 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC001147458638 1379025119 /nfs/dbraw/zinc/02/51/19/1379025119.db2.gz MDVHWPJFKXJIID-IEBWSBKVSA-N 2 0 333.520 3.067 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391977 1379163895 /nfs/dbraw/zinc/16/38/95/1379163895.db2.gz ZIYSVASKOTUJQQ-VZSQWMKGSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625550 1379228366 /nfs/dbraw/zinc/22/83/66/1379228366.db2.gz CRCLPPBMGNHLCI-SFHVURJKSA-N 2 0 343.515 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001327888902 1388617090 /nfs/dbraw/zinc/61/70/90/1388617090.db2.gz VUEVXRGWPULVIJ-IHWFROFDSA-N 2 0 343.515 3.030 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CCC2CCCCC2)c1 ZINC001152245808 1379893249 /nfs/dbraw/zinc/89/32/49/1379893249.db2.gz MMBWUZUDSUWIPW-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001152383612 1379923269 /nfs/dbraw/zinc/92/32/69/1379923269.db2.gz IHVYDPZFYXAFCM-QZTJIDSGSA-N 2 0 345.531 3.284 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393610 1379925488 /nfs/dbraw/zinc/92/54/88/1379925488.db2.gz RCHQNCXPKXLLLY-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CCC1CCCCC1)[NH+]1CCCCC1 ZINC001152480673 1379940504 /nfs/dbraw/zinc/94/05/04/1379940504.db2.gz ZDMJLIZWMIDNMX-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677629 1380113510 /nfs/dbraw/zinc/11/35/10/1380113510.db2.gz KPQIXZUIMBARNS-CQSZACIVSA-N 2 0 337.533 3.050 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC ZINC001153721035 1380118799 /nfs/dbraw/zinc/11/87/99/1380118799.db2.gz ROZARTOBPXDCFV-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828913 1380139158 /nfs/dbraw/zinc/13/91/58/1380139158.db2.gz RRYGHEOLTXAGTR-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879586 1380148263 /nfs/dbraw/zinc/14/82/63/1380148263.db2.gz JYPSNTWJZZWTJB-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930627 1380157255 /nfs/dbraw/zinc/15/72/55/1380157255.db2.gz UPOIAUZXIVPTMG-KURKYZTESA-N 2 0 327.557 3.081 20 0 EGADRP CC[N@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033625 1380186986 /nfs/dbraw/zinc/18/69/86/1380186986.db2.gz GVFJECRIMZJLQS-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033934 1380187150 /nfs/dbraw/zinc/18/71/50/1380187150.db2.gz QMDKUNHSTLKJOS-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCc1ccc(C)cc1 ZINC001154069629 1380197706 /nfs/dbraw/zinc/19/77/06/1380197706.db2.gz JNTXZPPRBZXSGX-GOSISDBHSA-N 2 0 347.547 3.094 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903803 1380374688 /nfs/dbraw/zinc/37/46/88/1380374688.db2.gz FCJSXPFIXOIIFG-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001154987464 1380385907 /nfs/dbraw/zinc/38/59/07/1380385907.db2.gz XNJDLPPOECRRBI-MOPGFXCFSA-N 2 0 336.483 3.322 20 0 EGADRP c1ccc2c(c1)CC[N@H+]1CCN(c3cc(N4CCCC4)cc[nH+]3)C[C@@H]21 ZINC001155094433 1380407018 /nfs/dbraw/zinc/40/70/18/1380407018.db2.gz BMSJOUQDNNRXPW-FQEVSTJZSA-N 2 0 334.467 3.101 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C(C)C)[NH+](C)C ZINC001155289177 1380434029 /nfs/dbraw/zinc/43/40/29/1380434029.db2.gz MVROSEYONYTYNF-XLIONFOSSA-N 2 0 347.547 3.477 20 0 EGADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c12 ZINC001155586280 1380470838 /nfs/dbraw/zinc/47/08/38/1380470838.db2.gz LZCZKTUWOBKMSA-NEWSRXKRSA-N 2 0 332.451 3.495 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611537 1380473584 /nfs/dbraw/zinc/47/35/84/1380473584.db2.gz IDUIHKPMCBPRPE-ZSQQTYLHSA-N 2 0 337.552 3.434 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C)C(C)C ZINC001155883711 1380502464 /nfs/dbraw/zinc/50/24/64/1380502464.db2.gz BZFGQPWEQJWWSP-QZTJIDSGSA-N 2 0 327.557 3.226 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001155997492 1380511996 /nfs/dbraw/zinc/51/19/96/1380511996.db2.gz CXLDOQHYHXUCAQ-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001156318818 1380557268 /nfs/dbraw/zinc/55/72/68/1380557268.db2.gz IAJKPRRZGGLVSS-MJGOQNOKSA-N 2 0 333.520 3.162 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428654 1380574949 /nfs/dbraw/zinc/57/49/49/1380574949.db2.gz WCWPODFZISLWHU-OAHLLOKOSA-N 2 0 346.519 3.024 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)CC(C)C ZINC001156516973 1380587252 /nfs/dbraw/zinc/58/72/52/1380587252.db2.gz KXSRWXCOBIWSRE-ZWKOTPCHSA-N 2 0 327.557 3.227 20 0 EGADRP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156889714 1380719299 /nfs/dbraw/zinc/71/92/99/1380719299.db2.gz CSOLSBXBYCCNQF-IEBWSBKVSA-N 2 0 345.531 3.088 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098569 1380775265 /nfs/dbraw/zinc/77/52/65/1380775265.db2.gz MDILUOVFIMILGC-RBUKOAKNSA-N 2 0 339.568 3.371 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)CC(C)C)o1 ZINC001157241390 1380821501 /nfs/dbraw/zinc/82/15/01/1380821501.db2.gz PPANIQZXWMVSAQ-MRXNPFEDSA-N 2 0 337.508 3.218 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001157893393 1381062922 /nfs/dbraw/zinc/06/29/22/1381062922.db2.gz FEHYVBFRJPYYIU-RTBURBONSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157893251 1381063146 /nfs/dbraw/zinc/06/31/46/1381063146.db2.gz CQDCLSOEVQALHY-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C)cs1 ZINC001328253615 1388699263 /nfs/dbraw/zinc/69/92/63/1388699263.db2.gz BMLFAMXCMVDCPK-YOEHRIQHSA-N 2 0 349.544 3.010 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329230 1381202563 /nfs/dbraw/zinc/20/25/63/1381202563.db2.gz KQNMNJUQYUCRTA-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCCCC2)CC1 ZINC001158418837 1381239990 /nfs/dbraw/zinc/23/99/90/1381239990.db2.gz AXFFEFPSGKZCIP-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCCC2CCC2)CC1 ZINC001158418820 1381240334 /nfs/dbraw/zinc/24/03/34/1381240334.db2.gz ADDQSQHHJRSKLF-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158491079 1381266291 /nfs/dbraw/zinc/26/62/91/1381266291.db2.gz IBYWLXJXWWIDHO-QZTJIDSGSA-N 2 0 325.541 3.220 20 0 EGADRP C[NH+]1CCC(N(c2ccc3cc(F)ccc3n2)C2CC[NH2+]CC2)CC1 ZINC001158581040 1381308881 /nfs/dbraw/zinc/30/88/81/1381308881.db2.gz OMHUGMBPXZNTOM-UHFFFAOYSA-N 2 0 342.462 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC(C)C ZINC001158625288 1381329034 /nfs/dbraw/zinc/32/90/34/1381329034.db2.gz MBRPPAHTZKPHRV-RTBURBONSA-N 2 0 339.568 3.323 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158714270 1381363097 /nfs/dbraw/zinc/36/30/97/1381363097.db2.gz KEEMJEFPZDUYHT-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nccc(C2CC[NH2+]CC2)n1 ZINC001158736644 1381375372 /nfs/dbraw/zinc/37/53/72/1381375372.db2.gz LGBJYHYASBWLEL-KRWDZBQOSA-N 2 0 337.471 3.184 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914693 1381463069 /nfs/dbraw/zinc/46/30/69/1381463069.db2.gz SHQHWRJHPPSVKL-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001158922528 1381465325 /nfs/dbraw/zinc/46/53/25/1381465325.db2.gz CADRPUGMRUUULZ-GOSISDBHSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001328401200 1388737191 /nfs/dbraw/zinc/73/71/91/1388737191.db2.gz UQPMRFRYBSFDMN-ARFHVFGLSA-N 2 0 334.533 3.001 20 0 EGADRP Cc1cc(C)c(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001159459764 1381799391 /nfs/dbraw/zinc/79/93/91/1381799391.db2.gz DMCGLQXTVMDXNC-UHFFFAOYSA-N 2 0 349.482 3.003 20 0 EGADRP [NH3+]CCOc1cccc(Nc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001159523467 1381816321 /nfs/dbraw/zinc/81/63/21/1381816321.db2.gz NFCHDLVNJIOBTE-UHFFFAOYSA-N 2 0 341.455 3.242 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001159901954 1381932374 /nfs/dbraw/zinc/93/23/74/1381932374.db2.gz QYWAZYAAVHPURG-FQEVSTJZSA-N 2 0 345.531 3.162 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159907790 1381934002 /nfs/dbraw/zinc/93/40/02/1381934002.db2.gz CXDFESWAFVCESG-FQEVSTJZSA-N 2 0 345.531 3.108 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159910788 1381934035 /nfs/dbraw/zinc/93/40/35/1381934035.db2.gz VCTJPLYOSVRCNV-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP Fc1ccc(N2CC[NH2+]CC2)c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001160045849 1381978571 /nfs/dbraw/zinc/97/85/71/1381978571.db2.gz OXLLEDBVHFWWQK-GOSISDBHSA-N 2 0 344.478 3.179 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160121309 1382004249 /nfs/dbraw/zinc/00/42/49/1382004249.db2.gz WJRXDEXFKDPWOC-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)c1F ZINC001160216549 1382036500 /nfs/dbraw/zinc/03/65/00/1382036500.db2.gz DAZUYVIDEBQCFP-QGZVFWFLSA-N 2 0 329.419 3.420 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160683582 1382170025 /nfs/dbraw/zinc/17/00/25/1382170025.db2.gz VJROVPGTEGRAKX-MRXNPFEDSA-N 2 0 340.471 3.132 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007485 1382270367 /nfs/dbraw/zinc/27/03/67/1382270367.db2.gz AFFUPUUZPJUZHX-ICSRJNTNSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001161042362 1382280884 /nfs/dbraw/zinc/28/08/84/1382280884.db2.gz PDGXQIOWPHRWFL-YLJYHZDGSA-N 2 0 345.531 3.451 20 0 EGADRP CCC(CC)[NH+]1CCC(Nc2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC001161095260 1382294684 /nfs/dbraw/zinc/29/46/84/1382294684.db2.gz TVBVTVXBSGFAPO-UHFFFAOYSA-N 2 0 331.508 3.450 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1)[NH+](C)C ZINC001161133267 1382313919 /nfs/dbraw/zinc/31/39/19/1382313919.db2.gz GGGFAEPQXIXKSG-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133987 1382314550 /nfs/dbraw/zinc/31/45/50/1382314550.db2.gz XCEGHBLDLRPKBC-LJQANCHMSA-N 2 0 337.552 3.291 20 0 EGADRP c1cnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(C[NH+]2CCCC2)c1 ZINC001161187439 1382334249 /nfs/dbraw/zinc/33/42/49/1382334249.db2.gz PJXJOWCOYNZBDD-IBGZPJMESA-N 2 0 328.504 3.354 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205796 1382340765 /nfs/dbraw/zinc/34/07/65/1382340765.db2.gz GYHOZTIUVWXDNN-PKOBYXMFSA-N 2 0 349.563 3.149 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161213185 1382343543 /nfs/dbraw/zinc/34/35/43/1382343543.db2.gz IDGUMBDEKWDOCF-IBGZPJMESA-N 2 0 337.552 3.435 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C(C)C)[C@@H](C)c1ccccc1 ZINC001161443403 1382412091 /nfs/dbraw/zinc/41/20/91/1382412091.db2.gz SDNLCBRYXYUYPB-HKUYNNGSSA-N 2 0 333.520 3.480 20 0 EGADRP CCCCCc1ccc(C(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161448274 1382414868 /nfs/dbraw/zinc/41/48/68/1382414868.db2.gz APNCXOKQZMTNIO-HXUWFJFHSA-N 2 0 345.531 3.175 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC1=CC[N@H+](CC(C)C)CC1)C(C)C ZINC001161491751 1382421783 /nfs/dbraw/zinc/42/17/83/1382421783.db2.gz NBWDJAFQHLCDTH-IBGZPJMESA-N 2 0 337.552 3.147 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1 ZINC001161504389 1382424982 /nfs/dbraw/zinc/42/49/82/1382424982.db2.gz KIEIKNIFWCHSGO-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001161644946 1382468238 /nfs/dbraw/zinc/46/82/38/1382468238.db2.gz VRZWGFVQVHVPGZ-UYAOXDASSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161758453 1382496468 /nfs/dbraw/zinc/49/64/68/1382496468.db2.gz AMPYVPICMFKFQF-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001161930781 1382558049 /nfs/dbraw/zinc/55/80/49/1382558049.db2.gz IUSGNHAIVMXNRZ-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nc(Cl)nc2cc(Cl)ccc21 ZINC001162290531 1382722959 /nfs/dbraw/zinc/72/29/59/1382722959.db2.gz YUWNSQKWZYMMND-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nc(Cl)nc2cccc(Cl)c21 ZINC001162290131 1382723120 /nfs/dbraw/zinc/72/31/20/1382723120.db2.gz KFMZBFSWVYGOSL-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)C1 ZINC001162396928 1382747494 /nfs/dbraw/zinc/74/74/94/1382747494.db2.gz PTEWINGYDPGYJD-INMHGKMJSA-N 2 0 327.476 3.033 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(-c2ccccc2Cl)nn1 ZINC001163129065 1382972517 /nfs/dbraw/zinc/97/25/17/1382972517.db2.gz UJQLEURXAOUINF-UHFFFAOYSA-N 2 0 346.866 3.075 20 0 EGADRP CC(C)(c1ccnc(Cl)c1)[NH+]1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001163135848 1382974072 /nfs/dbraw/zinc/97/40/72/1382974072.db2.gz NTPSUOHIDUMQFB-UHFFFAOYSA-N 2 0 332.879 3.012 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163177364 1382985149 /nfs/dbraw/zinc/98/51/49/1382985149.db2.gz GFLFKMYGPMVPMQ-SBHAEUEKSA-N 2 0 343.515 3.017 20 0 EGADRP COc1ccc2[nH+]c(C)cc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)c2c1 ZINC001163219210 1382995395 /nfs/dbraw/zinc/99/53/95/1382995395.db2.gz RXWURBKNRPUWAE-CTNGQTDRSA-N 2 0 333.435 3.489 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001163242941 1383003490 /nfs/dbraw/zinc/00/34/90/1383003490.db2.gz PNIMOJKKZKNHSB-CEXWTWQISA-N 2 0 349.563 3.031 20 0 EGADRP c1ccc(C[N@@H+]2CCc3c(ccnc3N[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001163386120 1383039028 /nfs/dbraw/zinc/03/90/28/1383039028.db2.gz NGEIELQCKOZTPK-NRFANRHFSA-N 2 0 348.494 3.146 20 0 EGADRP c1ccc2c(c1)nc(C1CC[NH2+]CC1)n2-c1cc(N2CCCC2)cc[nH+]1 ZINC001163762602 1383119516 /nfs/dbraw/zinc/11/95/16/1383119516.db2.gz HNPGIPRQCCDEID-UHFFFAOYSA-N 2 0 347.466 3.488 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001163822190 1383125609 /nfs/dbraw/zinc/12/56/09/1383125609.db2.gz UZZKUVBAPOGDNL-RTBURBONSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]CC/C=C/c1ccccc1)[NH+]1CCCC1 ZINC001163852044 1383129481 /nfs/dbraw/zinc/12/94/81/1383129481.db2.gz XLMISEPRIFWSAC-AWNIVKPZSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001164456579 1383188768 /nfs/dbraw/zinc/18/87/68/1383188768.db2.gz VOEKVCWFKFDJDR-DLBZAZTESA-N 2 0 349.494 3.105 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514275 1383195248 /nfs/dbraw/zinc/19/52/48/1383195248.db2.gz NZULCAOQBRVZNL-LIXSYLKWSA-N 2 0 349.563 3.482 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531958 1383196985 /nfs/dbraw/zinc/19/69/85/1383196985.db2.gz YAMXUYSGIBTHRG-IFEVLTCRSA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)(C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001164536921 1383197388 /nfs/dbraw/zinc/19/73/88/1383197388.db2.gz VOSMGXJPVINVGC-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H]3c3ccccn3)c2)CC1 ZINC001165179427 1383242427 /nfs/dbraw/zinc/24/24/27/1383242427.db2.gz OTXWWWZWQFXMGI-IBGZPJMESA-N 2 0 338.455 3.291 20 0 EGADRP CC(C)c1cc(NCC2C[NH+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC001165442113 1383297027 /nfs/dbraw/zinc/29/70/27/1383297027.db2.gz JULYGOWLQNQTFR-UHFFFAOYSA-N 2 0 339.487 3.210 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473278 1383300480 /nfs/dbraw/zinc/30/04/80/1383300480.db2.gz ZGGPQGJJYGNUEE-VOFKWLDRSA-N 2 0 349.563 3.482 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1)c1ccccc1 ZINC001165719052 1383332290 /nfs/dbraw/zinc/33/22/90/1383332290.db2.gz YMVWULRJIYAXHE-RTBURBONSA-N 2 0 345.531 3.354 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165765072 1383342672 /nfs/dbraw/zinc/34/26/72/1383342672.db2.gz XPVQCFAHYBHTFK-XFHJGTJQSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC001165776307 1383343600 /nfs/dbraw/zinc/34/36/00/1383343600.db2.gz HOHUUZWLGKBPEH-IEBWSBKVSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001165781726 1383344750 /nfs/dbraw/zinc/34/47/50/1383344750.db2.gz XZTXDUQEONOAGG-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001165892884 1383358472 /nfs/dbraw/zinc/35/84/72/1383358472.db2.gz CZKWNLFRPNZLAL-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCCC1(C[NH2+]Cc2ccccc2)CC1)c1ccc2c[nH+]cn2c1 ZINC001166189193 1383399680 /nfs/dbraw/zinc/39/96/80/1383399680.db2.gz BUJXGNISKBPFOX-UHFFFAOYSA-N 2 0 348.450 3.024 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F)[NH+](CC)CC ZINC001166446253 1383423161 /nfs/dbraw/zinc/42/31/61/1383423161.db2.gz AWMBRDGDIKHMOG-CVEARBPZSA-N 2 0 347.494 3.028 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F)[NH+](CC)CC ZINC001166447625 1383423664 /nfs/dbraw/zinc/42/36/64/1383423664.db2.gz LXROSPHTYXKONB-OALUTQOASA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F)[NH+](CC)CC ZINC001166447624 1383423684 /nfs/dbraw/zinc/42/36/84/1383423684.db2.gz LXROSPHTYXKONB-MOPGFXCFSA-N 2 0 349.494 3.029 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)CC(C)(C)C ZINC001166744399 1383469688 /nfs/dbraw/zinc/46/96/88/1383469688.db2.gz VFWFXIJRSBDGGL-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001166842501 1383486484 /nfs/dbraw/zinc/48/64/84/1383486484.db2.gz KEJUEBLYOWARBG-IRXDYDNUSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)CC1 ZINC001166979276 1383508677 /nfs/dbraw/zinc/50/86/77/1383508677.db2.gz PZXCLQCSNMXBAF-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccccc1F ZINC001328786847 1388864037 /nfs/dbraw/zinc/86/40/37/1388864037.db2.gz RGAFCUGLAUCAFS-IRXDYDNUSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167225452 1383571005 /nfs/dbraw/zinc/57/10/05/1383571005.db2.gz WETIISATAZXEQL-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167237228 1383572789 /nfs/dbraw/zinc/57/27/89/1383572789.db2.gz XKPZMFCXLWQRKX-MJGOQNOKSA-N 2 0 349.563 3.031 20 0 EGADRP Cc1cc2cc(N(Cc3ccccc3)C3(C[NH3+])COC3)ccc2c[nH+]1 ZINC001167378357 1383616337 /nfs/dbraw/zinc/61/63/37/1383616337.db2.gz NYCLQOIUHJMUER-UHFFFAOYSA-N 2 0 333.435 3.278 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167426644 1383631212 /nfs/dbraw/zinc/63/12/12/1383631212.db2.gz WQTVISYWNVZGLB-INIZCTEOSA-N 2 0 346.519 3.045 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599560 1383685059 /nfs/dbraw/zinc/68/50/59/1383685059.db2.gz LTNZLQHWRXFBQU-WAYWQWQTSA-N 2 0 349.563 3.339 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001167620164 1383690462 /nfs/dbraw/zinc/69/04/62/1383690462.db2.gz PCWGDKJUJZNCPU-ICSRJNTNSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001167627232 1383692495 /nfs/dbraw/zinc/69/24/95/1383692495.db2.gz MQCOOEMAFYROBX-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001167626432 1383692764 /nfs/dbraw/zinc/69/27/64/1383692764.db2.gz AIXIWNXQLFXEJL-VUBAQRPUSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001167667726 1383704873 /nfs/dbraw/zinc/70/48/73/1383704873.db2.gz MACRSJSORFIJBU-ZWKOTPCHSA-N 2 0 337.552 3.031 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167685707 1383710226 /nfs/dbraw/zinc/71/02/26/1383710226.db2.gz JXXYNYZACIOHEC-BBWFWOEESA-N 2 0 339.524 3.048 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001167752686 1383730635 /nfs/dbraw/zinc/73/06/35/1383730635.db2.gz WZDFSJCULCVHNW-ZDUSSCGKSA-N 2 0 345.516 3.013 20 0 EGADRP Cc1cccc(C[NH2+]CC2(CCNC(=O)CCCC[NH+](C)C)CC2)c1 ZINC001167784039 1383739723 /nfs/dbraw/zinc/73/97/23/1383739723.db2.gz KFESVSRKPYYRMZ-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001167812622 1383746439 /nfs/dbraw/zinc/74/64/39/1383746439.db2.gz RDKRUJUGQFGGBQ-BQYQJAHWSA-N 2 0 337.552 3.341 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001167823783 1383749473 /nfs/dbraw/zinc/74/94/73/1383749473.db2.gz ACEGULDDKAOEFP-DLBZAZTESA-N 2 0 341.540 3.438 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(CCc2ccccc2)CC1 ZINC001167824654 1383749713 /nfs/dbraw/zinc/74/97/13/1383749713.db2.gz DNJWARBQGXBPAP-FQEVSTJZSA-N 2 0 331.548 3.357 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cccc(OC)n2)C1 ZINC001167833766 1383752856 /nfs/dbraw/zinc/75/28/56/1383752856.db2.gz DRBQENJRQAHYQG-SJORKVTESA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2cc(C)ncn2)CC1 ZINC001167833690 1383753047 /nfs/dbraw/zinc/75/30/47/1383753047.db2.gz DFPJHRMINWAEON-KRWDZBQOSA-N 2 0 334.508 3.139 20 0 EGADRP CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1CCN(C(C)=O)CC1 ZINC001167838180 1383755823 /nfs/dbraw/zinc/75/58/23/1383755823.db2.gz RHAUCHCTSGBZDP-QGZVFWFLSA-N 2 0 325.541 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001167842902 1383757604 /nfs/dbraw/zinc/75/76/04/1383757604.db2.gz ZPEVLBNXQMEFIS-GHTZIAJQSA-N 2 0 329.532 3.412 20 0 EGADRP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167964612 1383780392 /nfs/dbraw/zinc/78/03/92/1383780392.db2.gz UYHSJTQPSRPJOV-OTYNDTSQSA-N 2 0 327.516 3.284 20 0 EGADRP COc1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964057 1383780945 /nfs/dbraw/zinc/78/09/45/1383780945.db2.gz MGNYKZJHPHOLJE-UXDRXVOSSA-N 2 0 344.499 3.458 20 0 EGADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](CC3CCC3)CC1)C2 ZINC001167973401 1383782738 /nfs/dbraw/zinc/78/27/38/1383782738.db2.gz JNCOPNFUYKEMFI-SEJPIABJSA-N 2 0 331.548 3.246 20 0 EGADRP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167988386 1383788733 /nfs/dbraw/zinc/78/87/33/1383788733.db2.gz KGDPUOANDGWBLC-SPYJTGKRSA-N 2 0 348.531 3.052 20 0 EGADRP C[N@@H+]1CC[C@H](c2ccc(-n3cc(CC[NH3+])c4cc(O)ccc43)cc2)C1 ZINC001167990053 1383789158 /nfs/dbraw/zinc/78/91/58/1383789158.db2.gz LNQXWWBZHHHEOD-INIZCTEOSA-N 2 0 335.451 3.256 20 0 EGADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001167991358 1383789748 /nfs/dbraw/zinc/78/97/48/1383789748.db2.gz HBXFWLBYFAMMCU-UHFFFAOYSA-N 2 0 338.430 3.425 20 0 EGADRP Cc1cccc(O[C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001168002447 1383792779 /nfs/dbraw/zinc/79/27/79/1383792779.db2.gz SOUYLTIOZQBDTB-XNMUZJSGSA-N 2 0 341.499 3.249 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019376 1383798577 /nfs/dbraw/zinc/79/85/77/1383798577.db2.gz IKKBJQNYJAQYGH-SQNIBIBYSA-N 2 0 338.499 3.439 20 0 EGADRP C[C@@H]1C[C@@H](N(CC[NH3+])c2cccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024115 1383799139 /nfs/dbraw/zinc/79/91/39/1383799139.db2.gz ZZDXBFKOEGRJPX-RMFSNUHRSA-N 2 0 338.499 3.288 20 0 EGADRP CC(=O)NCCCCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168026878 1383799318 /nfs/dbraw/zinc/79/93/18/1383799318.db2.gz LVAOMGHYZBGYKL-QZTJIDSGSA-N 2 0 345.531 3.324 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030367 1383799962 /nfs/dbraw/zinc/79/99/62/1383799962.db2.gz NQDGTZRTKJYKIW-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP COC(=O)[C@H]1CC[C@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168037133 1383801565 /nfs/dbraw/zinc/80/15/65/1383801565.db2.gz YWWALAGSJGRYET-CAMMJAKZSA-N 2 0 344.499 3.359 20 0 EGADRP C[C@@H]1CO[C@@H]2C[N@@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001168065982 1383807783 /nfs/dbraw/zinc/80/77/83/1383807783.db2.gz ZNFCWXOZCNHROY-DWMOBHETSA-N 2 0 328.500 3.395 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168198629 1383841866 /nfs/dbraw/zinc/84/18/66/1383841866.db2.gz JONYSDSJRXZTHA-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC1CCC([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001168215413 1383845536 /nfs/dbraw/zinc/84/55/36/1383845536.db2.gz PXVKXIICLZBNRF-UHFFFAOYSA-N 2 0 330.520 3.306 20 0 EGADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1cc(C[NH3+])cn1 ZINC001168261901 1383856262 /nfs/dbraw/zinc/85/62/62/1383856262.db2.gz RNWGWKKDMRIULH-UHFFFAOYSA-N 2 0 326.366 3.192 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CC1 ZINC001168306354 1383868876 /nfs/dbraw/zinc/86/88/76/1383868876.db2.gz XKTIWXIQZWRRAF-UHFFFAOYSA-N 3 0 333.495 3.034 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001168320513 1383872618 /nfs/dbraw/zinc/87/26/18/1383872618.db2.gz AFLIWAYUISGKFB-UHFFFAOYSA-N 2 0 349.544 3.000 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168321136 1383872805 /nfs/dbraw/zinc/87/28/05/1383872805.db2.gz YSERLEBUXRICCT-ARJAWSKDSA-N 2 0 335.536 3.095 20 0 EGADRP C[NH+](C)C1CCC(n2ccc3cc(N4CC[NH2+]CC4)ccc32)CC1 ZINC001168329525 1383874017 /nfs/dbraw/zinc/87/40/17/1383874017.db2.gz WPEZUAOERBDVAK-UHFFFAOYSA-N 2 0 326.488 3.096 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001168346232 1383879733 /nfs/dbraw/zinc/87/97/33/1383879733.db2.gz YHWJAUUZJZFBEZ-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001168346251 1383879948 /nfs/dbraw/zinc/87/99/48/1383879948.db2.gz YRCWJSVYPJJWIQ-MRXNPFEDSA-N 2 0 349.494 3.103 20 0 EGADRP c1ccc(C[C@@H](C[NH+]2CCCC2)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168362760 1383883364 /nfs/dbraw/zinc/88/33/64/1383883364.db2.gz HMVXGGXZVMHOLH-QFIPXVFZSA-N 2 0 341.543 3.158 20 0 EGADRP CCOC(=O)[C@H]1C[N@@H+](C2CC[NH+](CC3CC3)CC2)C[C@H]2CCCC[C@@H]12 ZINC001168378818 1383889424 /nfs/dbraw/zinc/88/94/24/1383889424.db2.gz WBOMLAHCZCJZCG-RLLQIKCJSA-N 2 0 348.531 3.162 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]3CN(C4CC[NH+](CC5CC5)CC4)C[C@H]32)cc1 ZINC001168391697 1383893245 /nfs/dbraw/zinc/89/32/45/1383893245.db2.gz NOEIMDZNPMUEFC-RBBKRZOGSA-N 2 0 339.527 3.067 20 0 EGADRP Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001168415919 1383900623 /nfs/dbraw/zinc/90/06/23/1383900623.db2.gz SRFOALLZSCJRTI-LJQANCHMSA-N 2 0 325.431 3.337 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001168483922 1383919057 /nfs/dbraw/zinc/91/90/57/1383919057.db2.gz CMZYKUWULSADKL-FFZOFVMBSA-N 2 0 339.458 3.216 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001168594909 1383944689 /nfs/dbraw/zinc/94/46/89/1383944689.db2.gz DOAVIYLQFZGRGX-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]C3CCC(CC[NH3+])CC3)CCO2)cc1 ZINC001168614880 1383949184 /nfs/dbraw/zinc/94/91/84/1383949184.db2.gz MFPTZFSWNFMEQI-IVJQXSGXSA-N 2 0 332.488 3.413 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CC1CCCCC1)C(C)C ZINC001168653462 1383959603 /nfs/dbraw/zinc/95/96/03/1383959603.db2.gz RZTHBQZVFXCRKQ-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001168667238 1383964484 /nfs/dbraw/zinc/96/44/84/1383964484.db2.gz QILVRHIFLVJZBA-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CCCC1CCCC1)C(C)C ZINC001168666191 1383964811 /nfs/dbraw/zinc/96/48/11/1383964811.db2.gz AJKYYPWGHBVJBQ-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H]1C[C@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CN1C(=O)OC(C)(C)C ZINC001168812078 1384015680 /nfs/dbraw/zinc/01/56/80/1384015680.db2.gz PPLVVAGYIPXMGR-HIFRSBDPSA-N 2 0 339.524 3.365 20 0 EGADRP CCN(CCC[NH+](CC)CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308068879 1384084647 /nfs/dbraw/zinc/08/46/47/1384084647.db2.gz RMYBBZNPOVFNIC-MRXNPFEDSA-N 2 0 327.513 3.050 20 0 EGADRP Cc1cnc(C[NH3+])n1-c1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001169029296 1384093747 /nfs/dbraw/zinc/09/37/47/1384093747.db2.gz PGTYTHGAFIUINQ-LJQANCHMSA-N 2 0 349.482 3.118 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169099315 1384106710 /nfs/dbraw/zinc/10/67/10/1384106710.db2.gz PMZLEKCRXAWYCV-HHARLNAUSA-N 2 0 337.508 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(F)cc3F)CC1)C2 ZINC001169109036 1384108112 /nfs/dbraw/zinc/10/81/12/1384108112.db2.gz GUKVQHOMOSYOSB-LDLYASANSA-N 2 0 349.469 3.144 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])Cc1cccc(C(F)(F)F)c1)C2 ZINC001169110181 1384108509 /nfs/dbraw/zinc/10/85/09/1384108509.db2.gz LIWHASQUOLUGCJ-QDMKHBRRSA-N 2 0 325.378 3.440 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3c(F)cccc3F)CC1)C2 ZINC001169109467 1384108690 /nfs/dbraw/zinc/10/86/90/1384108690.db2.gz IWNXNGWJUQMJHA-BJWYYQGGSA-N 2 0 349.469 3.144 20 0 EGADRP CC[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001308235417 1384111531 /nfs/dbraw/zinc/11/15/31/1384111531.db2.gz XHWWSAYNHBWPHA-SFHVURJKSA-N 2 0 329.532 3.328 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccccc3F)CC1)C2 ZINC001169140204 1384112507 /nfs/dbraw/zinc/11/25/07/1384112507.db2.gz IVVDAEAKGRPUOP-PIIMJCKOSA-N 2 0 332.463 3.432 20 0 EGADRP CCC1CCC([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC001308243636 1384112566 /nfs/dbraw/zinc/11/25/66/1384112566.db2.gz BINRWTOVPODVSE-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169144613 1384113891 /nfs/dbraw/zinc/11/38/91/1384113891.db2.gz KQFMLHMNPCGXAW-ARAZSQDJSA-N 2 0 334.504 3.054 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(CCC[NH+]3Cc3ccccc3)C1)C2 ZINC001169156416 1384116764 /nfs/dbraw/zinc/11/67/64/1384116764.db2.gz XQPXHVVKWBOOOB-CIAFKFPVSA-N 2 0 339.527 3.352 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Br)c(C)s1 ZINC001308327642 1384119537 /nfs/dbraw/zinc/11/95/37/1384119537.db2.gz QAGHXVJLWPONRN-GFCCVEGCSA-N 2 0 349.338 3.265 20 0 EGADRP c1ccc(C[N@H+]2CCc3c(ccnc3NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC001169558738 1384159558 /nfs/dbraw/zinc/15/95/58/1384159558.db2.gz PZKRJABWBKKAAG-LJQANCHMSA-N 2 0 336.483 3.194 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](CC)CC)CC2)CC1 ZINC001169679978 1384172634 /nfs/dbraw/zinc/17/26/34/1384172634.db2.gz VHHBBEQCOVFVDT-KURKYZTESA-N 2 0 339.524 3.240 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169807974 1384187612 /nfs/dbraw/zinc/18/76/12/1384187612.db2.gz AHNHKBTYAJBKRJ-QFBILLFUSA-N 2 0 349.494 3.015 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809601 1384187767 /nfs/dbraw/zinc/18/77/67/1384187767.db2.gz JGVOCLVLXMQMNO-PKOBYXMFSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)C1 ZINC001170145026 1384248232 /nfs/dbraw/zinc/24/82/32/1384248232.db2.gz RMCJOPTZVQROQW-AZUAARDMSA-N 2 0 343.515 3.185 20 0 EGADRP C[NH+](C)CC[C@@H](c1ccc(NCC2C[NH+](C)C2)cc1)c1ccccn1 ZINC001170256108 1384277100 /nfs/dbraw/zinc/27/71/00/1384277100.db2.gz DLSHSGUHZOIKMW-FQEVSTJZSA-N 2 0 338.499 3.139 20 0 EGADRP C[C@@H](Cc1ccccc1Cl)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001170295875 1384284706 /nfs/dbraw/zinc/28/47/06/1384284706.db2.gz WVJRYAQCTRRRSB-KRWDZBQOSA-N 2 0 349.950 3.230 20 0 EGADRP CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001170481891 1384327096 /nfs/dbraw/zinc/32/70/96/1384327096.db2.gz XTKXBZRFYAEWDB-CTNGQTDRSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc(C)n1 ZINC001170522892 1384334971 /nfs/dbraw/zinc/33/49/71/1384334971.db2.gz TYNCDCOIVZRMNM-UHFFFAOYSA-N 2 0 349.482 3.003 20 0 EGADRP CCCCCC[C@H](CC)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001170601821 1384348894 /nfs/dbraw/zinc/34/88/94/1384348894.db2.gz TZYWZDVEOKEHCI-SFHVURJKSA-N 2 0 337.552 3.397 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)C1 ZINC001170620659 1384351632 /nfs/dbraw/zinc/35/16/32/1384351632.db2.gz PTEWINGYDPGYJD-UXLLHSPISA-N 2 0 327.476 3.033 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170751741 1384378880 /nfs/dbraw/zinc/37/88/80/1384378880.db2.gz UYXXZOVPTFSXJC-RJCMGOLDSA-N 2 0 337.552 3.480 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001170752048 1384378931 /nfs/dbraw/zinc/37/89/31/1384378931.db2.gz WTIYSRXNSIJBHV-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCCOCC1)CC2 ZINC001170811132 1384390076 /nfs/dbraw/zinc/39/00/76/1384390076.db2.gz JBQCIUUVQPAWNL-GOSISDBHSA-N 2 0 347.503 3.291 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170816975 1384390643 /nfs/dbraw/zinc/39/06/43/1384390643.db2.gz JFPXUZPZKMDNIB-AEFFLSMTSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170830460 1384393991 /nfs/dbraw/zinc/39/39/91/1384393991.db2.gz WPZYZLGISPOWNI-HXUWFJFHSA-N 2 0 333.520 3.140 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861316 1384400898 /nfs/dbraw/zinc/40/08/98/1384400898.db2.gz CEWLSRJWMJUPSW-LZLYRXPVSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]CC1CCCCC1)c1ccccc1 ZINC001170868882 1384402039 /nfs/dbraw/zinc/40/20/39/1384402039.db2.gz VNSFSAGURDYWNX-FQEVSTJZSA-N 2 0 345.531 3.356 20 0 EGADRP C[NH+](C)CCC[N@H+](C)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170869140 1384402136 /nfs/dbraw/zinc/40/21/36/1384402136.db2.gz OKUVJCMHYLNUBF-INIZCTEOSA-N 2 0 325.294 3.190 20 0 EGADRP C[N@H+](C1CCOCC1)C1CCN([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171003766 1384427710 /nfs/dbraw/zinc/42/77/10/1384427710.db2.gz XRVRHHPKHYQEEE-LJQANCHMSA-N 2 0 346.490 3.258 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171122354 1384450117 /nfs/dbraw/zinc/45/01/17/1384450117.db2.gz ZYMODTIQWAANEC-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC001171173417 1384460284 /nfs/dbraw/zinc/46/02/84/1384460284.db2.gz CESIIKNRFRMZLU-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171236517 1384476766 /nfs/dbraw/zinc/47/67/66/1384476766.db2.gz NGICEQQOODSRPA-RTBURBONSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001316629846 1384493590 /nfs/dbraw/zinc/49/35/90/1384493590.db2.gz RNPNDTIXECLTQB-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171331259 1384496028 /nfs/dbraw/zinc/49/60/28/1384496028.db2.gz XUSCIVRYVVBJPQ-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171332825 1384496561 /nfs/dbraw/zinc/49/65/61/1384496561.db2.gz IVEXEEGXHZHCJR-ZNMIVQPWSA-N 2 0 334.891 3.089 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001171499731 1384543212 /nfs/dbraw/zinc/54/32/12/1384543212.db2.gz GKCXUKMLLCZTDU-DSTXGFKJSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171507618 1384544898 /nfs/dbraw/zinc/54/48/98/1384544898.db2.gz LNLIRVZSCALVDW-CQSZACIVSA-N 2 0 326.406 3.424 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171537428 1384555320 /nfs/dbraw/zinc/55/53/20/1384555320.db2.gz CFHBETSSSVHWSC-RJCMGOLDSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171547485 1384559861 /nfs/dbraw/zinc/55/98/61/1384559861.db2.gz SKNZSLWYZYILTC-HKUYNNGSSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001171559586 1384562027 /nfs/dbraw/zinc/56/20/27/1384562027.db2.gz IZIHITIIRZJGIR-OAQYLSRUSA-N 2 0 342.527 3.333 20 0 EGADRP CN(CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171612972 1384580300 /nfs/dbraw/zinc/58/03/00/1384580300.db2.gz BZOHOYXEKLMMGU-UHFFFAOYSA-N 2 0 327.513 3.094 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171619305 1384582179 /nfs/dbraw/zinc/58/21/79/1384582179.db2.gz JDTAOKNAJLAJHB-UHFFFAOYSA-N 3 0 347.547 3.368 20 0 EGADRP COC(=O)Cc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171623041 1384583137 /nfs/dbraw/zinc/58/31/37/1384583137.db2.gz IIUXWPXUNCNDJK-UHFFFAOYSA-N 2 0 332.488 3.143 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CCC([NH3+])(Cc3cccnc3)CC2)CC1(C)C ZINC001171626845 1384584576 /nfs/dbraw/zinc/58/45/76/1384584576.db2.gz DATIXSLBCKNGAZ-UHFFFAOYSA-N 2 0 344.547 3.069 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171629942 1384585543 /nfs/dbraw/zinc/58/55/43/1384585543.db2.gz SPOGNKHQFXTNRS-ZBFHGGJFSA-N 2 0 348.466 3.269 20 0 EGADRP C[C@@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@]1(O)C(F)(F)F ZINC001171631994 1384586304 /nfs/dbraw/zinc/58/63/04/1384586304.db2.gz SBOAJJKWFWTNLC-WBMJQRKESA-N 2 0 336.442 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171645926 1384591252 /nfs/dbraw/zinc/59/12/52/1384591252.db2.gz DDCDZJYRDBZEDO-SQGUUQMOSA-N 2 0 343.943 3.124 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171668167 1384596252 /nfs/dbraw/zinc/59/62/52/1384596252.db2.gz BYLMJYMBDWOAFS-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]1C[C@@H](n2nc(CC[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171733501 1384619481 /nfs/dbraw/zinc/61/94/81/1384619481.db2.gz UFGMENNNUUDPOI-SJLPKXTDSA-N 2 0 334.467 3.373 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CN1Cc1ccccc1 ZINC001171739738 1384620544 /nfs/dbraw/zinc/62/05/44/1384620544.db2.gz GARXYAASIQKNIJ-GIVPXCGWSA-N 2 0 329.532 3.490 20 0 EGADRP C[C@H]1C[C@H](N2CC[NH+](CC3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171763211 1384628651 /nfs/dbraw/zinc/62/86/51/1384628651.db2.gz OTKIATNODJLMBE-UGKGYDQZSA-N 2 0 341.543 3.457 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171787245 1384637091 /nfs/dbraw/zinc/63/70/91/1384637091.db2.gz IGRIVEOGDJGJJG-BHIYHBOVSA-N 2 0 339.458 3.460 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812294 1384646366 /nfs/dbraw/zinc/64/63/66/1384646366.db2.gz OQWZGHHICPWCJZ-AQFXKWCLSA-N 2 0 342.487 3.259 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171907246 1384677567 /nfs/dbraw/zinc/67/75/67/1384677567.db2.gz QYRFYFAEACZQPP-FQEVSTJZSA-N 2 0 345.531 3.345 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCC(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171961674 1384696400 /nfs/dbraw/zinc/69/64/00/1384696400.db2.gz AFBRAIMSVBWDSC-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976265 1384701213 /nfs/dbraw/zinc/70/12/13/1384701213.db2.gz JQSXSUGIEYYFMJ-FQEVSTJZSA-N 2 0 329.532 3.456 20 0 EGADRP CC1(C)C[C@H]([NH+]2CC[C@@H](O)[C@@H](F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977898 1384702054 /nfs/dbraw/zinc/70/20/54/1384702054.db2.gz USGRJQYOTPEMQY-CEXWTWQISA-N 2 0 334.479 3.224 20 0 EGADRP CC1(C)C[C@@H](N2CC[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC001171986240 1384706707 /nfs/dbraw/zinc/70/67/07/1384706707.db2.gz GBWVGJBPYAPRRL-FQEVSTJZSA-N 2 0 327.516 3.210 20 0 EGADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064602 1384714386 /nfs/dbraw/zinc/71/43/86/1384714386.db2.gz DHGGJKGUVXHFBN-UHZRXMQZSA-N 2 0 328.500 3.321 20 0 EGADRP O=c1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH]1 ZINC001172064340 1384714536 /nfs/dbraw/zinc/71/45/36/1384714536.db2.gz HEWPEZNRGUBPGT-ACDBMABISA-N 2 0 337.467 3.463 20 0 EGADRP Cc1ncn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001172064798 1384716661 /nfs/dbraw/zinc/71/66/61/1384716661.db2.gz JWEUUPIYAWZAPW-PMOLBWCYSA-N 2 0 338.499 3.451 20 0 EGADRP O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1F ZINC001172069747 1384718706 /nfs/dbraw/zinc/71/87/06/1384718706.db2.gz UIIOHVRDVKJDFD-XDWAVFMPSA-N 2 0 346.490 3.367 20 0 EGADRP COC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076311 1384719159 /nfs/dbraw/zinc/71/91/59/1384719159.db2.gz HUALCANQDRSODM-KANFNMMFSA-N 2 0 330.472 3.113 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCc2ncccn2)C3)cc1 ZINC001172073446 1384719407 /nfs/dbraw/zinc/71/94/07/1384719407.db2.gz RCVUSAQSXVUHRA-ACDBMABISA-N 2 0 336.483 3.194 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102219 1384726585 /nfs/dbraw/zinc/72/65/85/1384726585.db2.gz LAGLPUKAQUHZJA-BURNTYAHSA-N 2 0 327.516 3.113 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccc(F)cc1)C2 ZINC001172113386 1384731198 /nfs/dbraw/zinc/73/11/98/1384731198.db2.gz GQFNQHXYCKWMBW-REPLKXPHSA-N 2 0 342.462 3.175 20 0 EGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127363 1384736274 /nfs/dbraw/zinc/73/62/74/1384736274.db2.gz IPYOTYDJGJFEHO-YUMYIRISSA-N 2 0 341.543 3.456 20 0 EGADRP CCCc1noc([C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)n1 ZINC001172129148 1384737514 /nfs/dbraw/zinc/73/75/14/1384737514.db2.gz XARMCIMLPJUJOI-MWDXBVQZSA-N 2 0 332.492 3.217 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316983967 1384741565 /nfs/dbraw/zinc/74/15/65/1384741565.db2.gz ZADDRFVMUTWWRM-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC(C)(C)Cc2cccc(OC)c2)CC1 ZINC001172248899 1384755981 /nfs/dbraw/zinc/75/59/81/1384755981.db2.gz RWULWCACUMVEHV-UHFFFAOYSA-N 2 0 348.531 3.354 20 0 EGADRP CC1(C)C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CO1 ZINC001172292191 1384761627 /nfs/dbraw/zinc/76/16/27/1384761627.db2.gz NZXMICCEHWBXKR-ZCNNSNEGSA-N 2 0 328.500 3.398 20 0 EGADRP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CO1 ZINC001172292184 1384762061 /nfs/dbraw/zinc/76/20/61/1384762061.db2.gz NZXMICCEHWBXKR-AABGKKOBSA-N 2 0 328.500 3.398 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001317043040 1384816990 /nfs/dbraw/zinc/81/69/90/1384816990.db2.gz NCJAAUKLOBVRGI-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172632872 1384823455 /nfs/dbraw/zinc/82/34/55/1384823455.db2.gz KCJPAIWMGKQJDS-VQIMIIECSA-N 2 0 336.520 3.447 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001317069946 1384838827 /nfs/dbraw/zinc/83/88/27/1384838827.db2.gz YDHDIQQZUBVARV-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001317097475 1384859114 /nfs/dbraw/zinc/85/91/14/1384859114.db2.gz ANTJAGDTWGZDHQ-NXEWRWPSSA-N 2 0 349.563 3.409 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172873362 1384869642 /nfs/dbraw/zinc/86/96/42/1384869642.db2.gz LPCXTSZVTIWEFJ-ZDUSSCGKSA-N 2 0 342.940 3.276 20 0 EGADRP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC001173082640 1384910004 /nfs/dbraw/zinc/91/00/04/1384910004.db2.gz NRXIPIZAWGXYCD-CYBMUJFWSA-N 2 0 330.394 3.448 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2(c3ccc(OC)cc3)COC2)CC1 ZINC001173103642 1384915640 /nfs/dbraw/zinc/91/56/40/1384915640.db2.gz MZEDNGRFMMLYJK-UHFFFAOYSA-N 2 0 332.488 3.163 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(c3cccnc3)CC2)CC1 ZINC001173107757 1384916160 /nfs/dbraw/zinc/91/61/60/1384916160.db2.gz LKJVFJCAXFOMAW-UHFFFAOYSA-N 2 0 330.520 3.293 20 0 EGADRP COc1cccc2c1C[C@H]([N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173161464 1384927710 /nfs/dbraw/zinc/92/77/10/1384927710.db2.gz QMHCJILOSPUGJJ-ULQDDVLXSA-N 2 0 332.488 3.227 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001173455609 1384974065 /nfs/dbraw/zinc/97/40/65/1384974065.db2.gz RFNPPBCWIYRSDG-DFQSSKMNSA-N 2 0 344.499 3.172 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)C1 ZINC001173630598 1384992073 /nfs/dbraw/zinc/99/20/73/1384992073.db2.gz AANDFDNPTKEERN-SJLPKXTDSA-N 2 0 330.472 3.058 20 0 EGADRP C[C@H]([NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1)c1ccccc1 ZINC001317216491 1384996452 /nfs/dbraw/zinc/99/64/52/1384996452.db2.gz ARIGNOSHIJSYCA-IVMQYODDSA-N 2 0 343.515 3.249 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001173659043 1384998194 /nfs/dbraw/zinc/99/81/94/1384998194.db2.gz YAOLUBNZRLEVJZ-KRWDZBQOSA-N 2 0 343.437 3.296 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001317361564 1385104524 /nfs/dbraw/zinc/10/45/24/1385104524.db2.gz VJQWTQJOFPNTAQ-PMACEKPBSA-N 2 0 345.531 3.244 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001317361566 1385104678 /nfs/dbraw/zinc/10/46/78/1385104678.db2.gz VJQWTQJOFPNTAQ-VQTJNVASSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1c[nH+]ccc1Nc1c(F)cccc1OCC1CC[NH+](C)CC1 ZINC001174539004 1385117636 /nfs/dbraw/zinc/11/76/36/1385117636.db2.gz XWHDILIEQMNEHC-UHFFFAOYSA-N 2 0 329.419 3.415 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001174705660 1385137232 /nfs/dbraw/zinc/13/72/32/1385137232.db2.gz KWRWYGLNMRWAMZ-RYQVPKHVSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928614 1385170814 /nfs/dbraw/zinc/17/08/14/1385170814.db2.gz LMZBKPLVPNPYQA-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001174947779 1385173243 /nfs/dbraw/zinc/17/32/43/1385173243.db2.gz FDJWTLLLNAIYMA-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCC[NH+](C)C ZINC001174960693 1385175032 /nfs/dbraw/zinc/17/50/32/1385175032.db2.gz HSDUWNTZCSSKLS-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCC[NH+](C)C ZINC001174963054 1385175538 /nfs/dbraw/zinc/17/55/38/1385175538.db2.gz YBMUBYNIHYCQGK-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175041745 1385185766 /nfs/dbraw/zinc/18/57/66/1385185766.db2.gz RBWNKDZLAZJYCW-KRWDZBQOSA-N 2 0 335.536 3.093 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175048865 1385186154 /nfs/dbraw/zinc/18/61/54/1385186154.db2.gz LUGWMBZQCKQWSK-SFHVURJKSA-N 2 0 333.520 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175054740 1385186846 /nfs/dbraw/zinc/18/68/46/1385186846.db2.gz BEQLWNZTWAVGRZ-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001175105589 1385195559 /nfs/dbraw/zinc/19/55/59/1385195559.db2.gz BDVMZALPJCYOSD-IEBWSBKVSA-N 2 0 337.552 3.338 20 0 EGADRP COc1cc(C)c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC001175109997 1385196473 /nfs/dbraw/zinc/19/64/73/1385196473.db2.gz MYAJJPJPOFFOFZ-UHFFFAOYSA-N 2 0 326.444 3.202 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175115776 1385197712 /nfs/dbraw/zinc/19/77/12/1385197712.db2.gz XYGFHILHIMUYFC-FUHWJXTLSA-N 2 0 327.557 3.273 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C)[NH+](CC)CC ZINC001175217029 1385222874 /nfs/dbraw/zinc/22/28/74/1385222874.db2.gz DPDXFYZQCGTDBY-QZTJIDSGSA-N 2 0 325.541 3.338 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264288 1385234437 /nfs/dbraw/zinc/23/44/37/1385234437.db2.gz RXDZRQNGJLXYHZ-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271841 1385237234 /nfs/dbraw/zinc/23/72/34/1385237234.db2.gz FTZOUOLRFBOSIF-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001175317175 1385250715 /nfs/dbraw/zinc/25/07/15/1385250715.db2.gz MFHSFFPYQRWWOE-AEFFLSMTSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001175566751 1385333951 /nfs/dbraw/zinc/33/39/51/1385333951.db2.gz ZGQACRALGWRAQE-SFHVURJKSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001317595811 1385348994 /nfs/dbraw/zinc/34/89/94/1385348994.db2.gz JHIRNPCJEDGELE-KRWDZBQOSA-N 2 0 345.531 3.403 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001317635476 1385367057 /nfs/dbraw/zinc/36/70/57/1385367057.db2.gz CHYUQDSTPBFBDG-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001175767254 1385398867 /nfs/dbraw/zinc/39/88/67/1385398867.db2.gz DJRGZMUPIQHMKN-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001175768141 1385400020 /nfs/dbraw/zinc/40/00/20/1385400020.db2.gz LGKKRFXRIDOBLB-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176023800 1385464401 /nfs/dbraw/zinc/46/44/01/1385464401.db2.gz IRNJLBBNGZZHLV-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(Nc2c[nH+]ccc2N2CCOCC2)c1 ZINC001176196176 1385509546 /nfs/dbraw/zinc/50/95/46/1385509546.db2.gz SCHRZALHQKJPLZ-UHFFFAOYSA-N 2 0 338.455 3.258 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267846 1385532292 /nfs/dbraw/zinc/53/22/92/1385532292.db2.gz GIQKNJRUJQQHSF-DVBCCOPCSA-N 2 0 325.541 3.339 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2c(F)cc(F)c(F)c2F)CC1 ZINC001176349539 1385558667 /nfs/dbraw/zinc/55/86/67/1385558667.db2.gz JZFJBLCPAAJQHC-UHFFFAOYSA-N 2 0 340.324 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001176383064 1385571487 /nfs/dbraw/zinc/57/14/87/1385571487.db2.gz JNANNNBPADBBPP-UHFFFAOYSA-N 2 0 339.483 3.367 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)CCC[NH+]1CCCC1 ZINC001176728067 1385674236 /nfs/dbraw/zinc/67/42/36/1385674236.db2.gz FCKHIWYZZISEGN-JLAWEPINSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001176739146 1385677283 /nfs/dbraw/zinc/67/72/83/1385677283.db2.gz UMOJUYFKLBASKY-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176753953 1385683907 /nfs/dbraw/zinc/68/39/07/1385683907.db2.gz OROSAOCMCXVWEB-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754206 1385683949 /nfs/dbraw/zinc/68/39/49/1385683949.db2.gz SZVJXLSTNJUXIS-GOSISDBHSA-N 2 0 347.547 3.354 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001176754681 1385685284 /nfs/dbraw/zinc/68/52/84/1385685284.db2.gz XYVVMSRIQUJTEZ-WVDJOFFCSA-N 2 0 343.943 3.124 20 0 EGADRP CCc1cccc(C[N@H+]2CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C2)c1 ZINC001318486296 1385719516 /nfs/dbraw/zinc/71/95/16/1385719516.db2.gz XAMRLGGEZNFFCD-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP Cc1ccc2ccccc2c1C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176971814 1385759465 /nfs/dbraw/zinc/75/94/65/1385759465.db2.gz IYGYMKZWEQXNDR-UHFFFAOYSA-N 2 0 341.499 3.084 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176992254 1385765725 /nfs/dbraw/zinc/76/57/25/1385765725.db2.gz KSVDBRLKUGYCIP-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001176997114 1385768302 /nfs/dbraw/zinc/76/83/02/1385768302.db2.gz IYPIMFQGQKHNBX-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C[NH2+][C@H](C)c2ccccc2C)CCCC1 ZINC001318662920 1385822377 /nfs/dbraw/zinc/82/23/77/1385822377.db2.gz CCUBDLACWLXPKW-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1)c1ccccc1 ZINC001318955473 1385895597 /nfs/dbraw/zinc/89/55/97/1385895597.db2.gz ARIGNOSHIJSYCA-BHIYHBOVSA-N 2 0 343.515 3.249 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001177336766 1385918713 /nfs/dbraw/zinc/91/87/13/1385918713.db2.gz WGRWJIHORJPDCG-QGZVFWFLSA-N 2 0 349.494 3.249 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001177349108 1385924465 /nfs/dbraw/zinc/92/44/65/1385924465.db2.gz YIAYQQNQVAILPQ-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)CCC(=O)N(CCC[NH2+]CCCCCF)CC1CCCC1 ZINC001177404784 1385944742 /nfs/dbraw/zinc/94/47/42/1385944742.db2.gz BTSJTMUTRKGZHQ-UHFFFAOYSA-N 2 0 343.531 3.076 20 0 EGADRP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001177409441 1385946000 /nfs/dbraw/zinc/94/60/00/1385946000.db2.gz UMIDJQPRCQOAES-LJQANCHMSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001177415863 1385948348 /nfs/dbraw/zinc/94/83/48/1385948348.db2.gz MKEIZUGVVZTMPL-IBGZPJMESA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+](CC)CC ZINC001177445691 1385958883 /nfs/dbraw/zinc/95/88/83/1385958883.db2.gz PNWRIDASDVPXRR-GOSISDBHSA-N 2 0 339.568 3.373 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1 ZINC001177455817 1385962604 /nfs/dbraw/zinc/96/26/04/1385962604.db2.gz JJAVACOUILXXAQ-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC001319187822 1385998121 /nfs/dbraw/zinc/99/81/21/1385998121.db2.gz VIIKYKQXYKILDC-HZPDHXFCSA-N 2 0 344.503 3.353 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001319199282 1386003099 /nfs/dbraw/zinc/00/30/99/1386003099.db2.gz VABGVPBNZDOGBV-CABCVRRESA-N 2 0 336.476 3.095 20 0 EGADRP COc1ccc2c(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC001319199055 1386003404 /nfs/dbraw/zinc/00/34/04/1386003404.db2.gz NOPCCADOPKSFTG-AZUAARDMSA-N 2 0 341.455 3.299 20 0 EGADRP CCC[C@H](C[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001177724768 1386028892 /nfs/dbraw/zinc/02/88/92/1386028892.db2.gz LCPLVERRHORYSI-PZJWPPBQSA-N 2 0 331.548 3.434 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001319271260 1386034223 /nfs/dbraw/zinc/03/42/23/1386034223.db2.gz YQHDSSOFQYRTEV-PBHICJAKSA-N 2 0 347.528 3.083 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2cccc(C)c2)CCCC1)[NH+](C)C ZINC001319361626 1386078644 /nfs/dbraw/zinc/07/86/44/1386078644.db2.gz JLPBYAQCGDCRFL-PKOBYXMFSA-N 2 0 345.531 3.415 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCCC2)c1 ZINC001698628451 1406271155 /nfs/dbraw/zinc/27/11/55/1406271155.db2.gz ULLYVCQCXPHXGK-MJGOQNOKSA-N 2 0 343.515 3.169 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001319588199 1386191651 /nfs/dbraw/zinc/19/16/51/1386191651.db2.gz CPXYKEGCBYMDGR-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178618322 1386263507 /nfs/dbraw/zinc/26/35/07/1386263507.db2.gz WGASPQPYUYGHDI-KRWDZBQOSA-N 2 0 331.520 3.123 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001178688712 1386277783 /nfs/dbraw/zinc/27/77/83/1386277783.db2.gz HPOGWNUGIQVFEC-IHPCNDPISA-N 2 0 349.563 3.409 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178811409 1386314149 /nfs/dbraw/zinc/31/41/49/1386314149.db2.gz UYBQOKDTZPVHGA-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C)[NH+](C)C ZINC001178815592 1386314806 /nfs/dbraw/zinc/31/48/06/1386314806.db2.gz FTQNXBIYOPJWIV-ZWKOTPCHSA-N 2 0 327.557 3.275 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001178853681 1386329525 /nfs/dbraw/zinc/32/95/25/1386329525.db2.gz NYIZZSXGOQQVFU-UHFFFAOYSA-N 2 0 327.557 3.419 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001178890647 1386340609 /nfs/dbraw/zinc/34/06/09/1386340609.db2.gz JNQRPRKHJHXXOU-BZSNNMDCSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@H](C(=O)N1CCC(CC[N@H+](C)C(C)C)CC1)[NH+](CC)CC ZINC001319885252 1386360850 /nfs/dbraw/zinc/36/08/50/1386360850.db2.gz KJKPCKUMGWWPSP-GOSISDBHSA-N 2 0 325.541 3.076 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC001179338148 1386455649 /nfs/dbraw/zinc/45/56/49/1386455649.db2.gz DDLCLRGPEXXCOW-VQIMIIECSA-N 2 0 334.467 3.421 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179361514 1386463426 /nfs/dbraw/zinc/46/34/26/1386463426.db2.gz IDONUWYEPBDDFL-LJQANCHMSA-N 2 0 337.552 3.458 20 0 EGADRP CCc1cccc(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)c1 ZINC001179400680 1386474969 /nfs/dbraw/zinc/47/49/69/1386474969.db2.gz QZEQZRVZFYLWIC-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CCc1ccc(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)cc1 ZINC001179402769 1386475643 /nfs/dbraw/zinc/47/56/43/1386475643.db2.gz CBJVQFGZVWRAEA-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CCCc1ccccc1 ZINC001179403512 1386476793 /nfs/dbraw/zinc/47/67/93/1386476793.db2.gz PMDRNRGQIBGGNJ-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)cc1C ZINC001320091355 1386505551 /nfs/dbraw/zinc/50/55/51/1386505551.db2.gz UGXMPAQLJASJHD-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)[NH+](CC)CC ZINC001179565216 1386516208 /nfs/dbraw/zinc/51/62/08/1386516208.db2.gz NBHXWEYQIQUZPW-IRXDYDNUSA-N 2 0 331.520 3.121 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC001179609507 1386531114 /nfs/dbraw/zinc/53/11/14/1386531114.db2.gz SFZDDABPIFXVRD-HKUYNNGSSA-N 2 0 333.520 3.354 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1 ZINC001180061184 1386683471 /nfs/dbraw/zinc/68/34/71/1386683471.db2.gz ZOQCNSRNEUBDHS-KRWDZBQOSA-N 2 0 325.541 3.031 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCC2=CCCCC2)C1 ZINC001180060986 1386683559 /nfs/dbraw/zinc/68/35/59/1386683559.db2.gz WZIHFYIAGGGGEC-FQEVSTJZSA-N 2 0 349.563 3.485 20 0 EGADRP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001698661175 1406312458 /nfs/dbraw/zinc/31/24/58/1406312458.db2.gz IHNSZUAKKZVLSB-DYESRHJHSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001180117918 1386702239 /nfs/dbraw/zinc/70/22/39/1386702239.db2.gz LUWGRLRIVUPAKN-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001180117927 1386702427 /nfs/dbraw/zinc/70/24/27/1386702427.db2.gz MHBCPCMIJRHTEX-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001180204590 1386731590 /nfs/dbraw/zinc/73/15/90/1386731590.db2.gz UQMDYVVNWKBATQ-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180259775 1386748511 /nfs/dbraw/zinc/74/85/11/1386748511.db2.gz MGBYWBFNQBHEPY-OALUTQOASA-N 2 0 345.531 3.274 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272704 1386751111 /nfs/dbraw/zinc/75/11/11/1386751111.db2.gz NKFALCLLYBRFJJ-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180372859 1386778022 /nfs/dbraw/zinc/77/80/22/1386778022.db2.gz JNBVBXZGVSEZMA-HXUWFJFHSA-N 2 0 345.531 3.327 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001180372553 1386778086 /nfs/dbraw/zinc/77/80/86/1386778086.db2.gz BNSALFDHMADHFN-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCCCC[NH2+]CC2CC2)o1 ZINC001180446899 1386799058 /nfs/dbraw/zinc/79/90/58/1386799058.db2.gz YNZCRDDEEFORJY-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180451461 1386801322 /nfs/dbraw/zinc/80/13/22/1386801322.db2.gz BOLXMVPKGUBVJP-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001180792550 1386875502 /nfs/dbraw/zinc/87/55/02/1386875502.db2.gz CBHBGCZBHVSJLV-YJBOKZPZSA-N 2 0 330.472 3.216 20 0 EGADRP CCN(CC[NH2+]C1CC[NH+](CCC(C)C)CC1)CCC(F)(F)F ZINC001180835518 1386881417 /nfs/dbraw/zinc/88/14/17/1386881417.db2.gz JVRJZTHDLLABKY-UHFFFAOYSA-N 2 0 337.474 3.361 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001322025041 1387033703 /nfs/dbraw/zinc/03/37/03/1387033703.db2.gz WDOQCKKLQWQSPR-DLBZAZTESA-N 2 0 339.483 3.217 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001181729215 1387046856 /nfs/dbraw/zinc/04/68/56/1387046856.db2.gz YQPQWIGFICDVTA-YFVAEKQCSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736356 1387048371 /nfs/dbraw/zinc/04/83/71/1387048371.db2.gz OBZARENIXKVNJA-SSPLKJMRSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001322089853 1387049688 /nfs/dbraw/zinc/04/96/88/1387049688.db2.gz UITUBJSLROIJEX-ROUUACIJSA-N 2 0 331.504 3.026 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001181793666 1387056254 /nfs/dbraw/zinc/05/62/54/1387056254.db2.gz YYRWGTZYDSQLJK-OPYRPYSASA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)C3(C)CC[NH+](C)CC3)cc2)CC1 ZINC001181986911 1387087715 /nfs/dbraw/zinc/08/77/15/1387087715.db2.gz FAQCEAGGRQNZSZ-UHFFFAOYSA-N 2 0 329.488 3.166 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322282027 1387137816 /nfs/dbraw/zinc/13/78/16/1387137816.db2.gz VDHNEXSJWYAKEQ-PXNSSMCTSA-N 2 0 347.547 3.333 20 0 EGADRP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N(C(C)C)C(C)(C)C[NH3+])C1 ZINC001182344509 1387153533 /nfs/dbraw/zinc/15/35/33/1387153533.db2.gz IJQCAAJFYQDGPF-IBGZPJMESA-N 2 0 345.531 3.181 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C2)C1 ZINC001182346798 1387153862 /nfs/dbraw/zinc/15/38/62/1387153862.db2.gz XURAUCTWLDOFLC-SVFBPWRDSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182369989 1387157853 /nfs/dbraw/zinc/15/78/53/1387157853.db2.gz WOLVWXNTFHJATB-JEYCQBMJSA-N 2 0 349.563 3.147 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)[nH]n1 ZINC001322600076 1387211935 /nfs/dbraw/zinc/21/19/35/1387211935.db2.gz HHIHKOHEQIDWIH-HZPDHXFCSA-N 2 0 326.488 3.486 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CC1CCCCCC1 ZINC001329624100 1389189892 /nfs/dbraw/zinc/18/98/92/1389189892.db2.gz OFYAQVWYVMBQJS-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccccc2)CCC1 ZINC001329924513 1389261590 /nfs/dbraw/zinc/26/15/90/1389261590.db2.gz WIWFVTLWYXTNHY-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC001332395435 1390104831 /nfs/dbraw/zinc/10/48/31/1390104831.db2.gz IHPQYHGWRORKBY-IPURGOFSSA-N 2 0 329.669 3.417 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC001332555232 1390134381 /nfs/dbraw/zinc/13/43/81/1390134381.db2.gz HAUPWSXRAJMBTH-GOEBONIOSA-N 2 0 336.549 3.391 20 0 EGADRP C[C@H]([NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C)c1ccccc1 ZINC001332840699 1390198697 /nfs/dbraw/zinc/19/86/97/1390198697.db2.gz GGQCARGVMIWCKL-FUHWJXTLSA-N 2 0 345.531 3.210 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001332862737 1390204624 /nfs/dbraw/zinc/20/46/24/1390204624.db2.gz ZUFUJVMCKRYEHK-SFHVURJKSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@@H]1C[C@@H](CCNC(=O)C[C@H]([NH3+])C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001340428779 1390287494 /nfs/dbraw/zinc/28/74/94/1390287494.db2.gz KIYROVDEEJCGSV-QRQLOZEOSA-N 2 0 345.531 3.167 20 0 EGADRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001698772183 1406432897 /nfs/dbraw/zinc/43/28/97/1406432897.db2.gz RCCYXPNOSWKFIM-OXQOHEQNSA-N 2 0 341.499 3.022 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001340874282 1390390966 /nfs/dbraw/zinc/39/09/66/1390390966.db2.gz YXBQHVXOZFUVGN-LMMKCTJWSA-N 2 0 345.531 3.023 20 0 EGADRP CC(=O)OC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001335071952 1390638355 /nfs/dbraw/zinc/63/83/55/1390638355.db2.gz IZZDQIWLJYAQMZ-FAXKSRBJSA-N 2 0 330.472 3.113 20 0 EGADRP O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001343532587 1390720838 /nfs/dbraw/zinc/72/08/38/1390720838.db2.gz IZKPTIIAQLYXSC-JKSUJKDBSA-N 2 0 332.444 3.049 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1)[NH+]1CCCCC1 ZINC001344406867 1390789329 /nfs/dbraw/zinc/78/93/29/1390789329.db2.gz VPVXOBHPGIBNLG-QGZVFWFLSA-N 2 0 326.488 3.441 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001344448879 1390791932 /nfs/dbraw/zinc/79/19/32/1390791932.db2.gz LPDPADQITCPEPL-QGZVFWFLSA-N 2 0 331.504 3.368 20 0 EGADRP COc1ccc(C[C@H](C)[N@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC001345204850 1390847646 /nfs/dbraw/zinc/84/76/46/1390847646.db2.gz PLERSDZAHJGROZ-LPHOPBHVSA-N 2 0 342.483 3.309 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001347927754 1391147642 /nfs/dbraw/zinc/14/76/42/1391147642.db2.gz YNCBAMOBYWFHBW-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[N@@H+]2C1 ZINC001347980331 1391153501 /nfs/dbraw/zinc/15/35/01/1391153501.db2.gz ISTFIJFYDQNMIW-UWVAXJGDSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCC1)c1ccccc1 ZINC001698805501 1406486407 /nfs/dbraw/zinc/48/64/07/1406486407.db2.gz GLFPIKIKWOGXGP-IBGZPJMESA-N 2 0 343.515 3.108 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)c1 ZINC001349366680 1391324090 /nfs/dbraw/zinc/32/40/90/1391324090.db2.gz DESFYWUXPWMAAI-WDYCEAGBSA-N 2 0 329.488 3.116 20 0 EGADRP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC001353275308 1391981407 /nfs/dbraw/zinc/98/14/07/1391981407.db2.gz YDOJYAVUQDQTFT-PKOBYXMFSA-N 2 0 346.515 3.361 20 0 EGADRP C[C@H](CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[NH+]1CCCCC1 ZINC001353556317 1392038958 /nfs/dbraw/zinc/03/89/58/1392038958.db2.gz RURHMCVBAGBJMZ-XLIONFOSSA-N 2 0 343.515 3.100 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC001353604975 1392048341 /nfs/dbraw/zinc/04/83/41/1392048341.db2.gz OYUWUBHQZRCFLB-GOSISDBHSA-N 2 0 331.504 3.016 20 0 EGADRP c1cc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)oc1C[NH+]1CCCCC1 ZINC001354193675 1392126488 /nfs/dbraw/zinc/12/64/88/1392126488.db2.gz OSGFZJHKVZRJHA-MRXNPFEDSA-N 2 0 342.443 3.125 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001479890967 1392461348 /nfs/dbraw/zinc/46/13/48/1392461348.db2.gz HPRUSXHNXQIVMW-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001479911294 1392479524 /nfs/dbraw/zinc/47/95/24/1392479524.db2.gz AIUCOKQBUBNNTN-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC/C=C\c2ccccc2)C1 ZINC001479913928 1392481251 /nfs/dbraw/zinc/48/12/51/1392481251.db2.gz YQVFMOCEPWXSCY-HXKWKUIBSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001698862970 1406574082 /nfs/dbraw/zinc/57/40/82/1406574082.db2.gz XTSUACVWKMYKSX-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480743002 1392909501 /nfs/dbraw/zinc/90/95/01/1392909501.db2.gz UTJTUCSKCDPDBQ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1ccccc1 ZINC001480813760 1392951395 /nfs/dbraw/zinc/95/13/95/1392951395.db2.gz KMBFJZLXMQKAFL-QGZVFWFLSA-N 2 0 339.483 3.046 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001480903969 1393010393 /nfs/dbraw/zinc/01/03/93/1393010393.db2.gz CCUAOAWDWCPZPV-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001481286831 1393158646 /nfs/dbraw/zinc/15/86/46/1393158646.db2.gz CLHVDYKMBRTVOI-UXHICEINSA-N 2 0 345.531 3.449 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](CC)c1ccccc1 ZINC001481386100 1394224581 /nfs/dbraw/zinc/22/45/81/1394224581.db2.gz OCHJFVFISJXRKP-ZCNNSNEGSA-N 2 0 343.515 3.155 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](C/C=C/c2ccccc2)C1 ZINC001490456351 1394233613 /nfs/dbraw/zinc/23/36/13/1394233613.db2.gz AKTILVDHKIAFNM-WUTDNEBXSA-N 2 0 343.515 3.012 20 0 EGADRP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001490623140 1394287015 /nfs/dbraw/zinc/28/70/15/1394287015.db2.gz JEFRAOHNHRNJEY-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)cs1 ZINC001491209423 1394471986 /nfs/dbraw/zinc/47/19/86/1394471986.db2.gz DVWAMNVJTKAZBI-KRWDZBQOSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491302806 1394502404 /nfs/dbraw/zinc/50/24/04/1394502404.db2.gz YWGBMBDZWYKXAE-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](CNC(=O)CCc1cncn1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481877290 1394572542 /nfs/dbraw/zinc/57/25/42/1394572542.db2.gz RRLUKJIQDACWKD-KRWDZBQOSA-N 2 0 348.535 3.054 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC001482228069 1394822610 /nfs/dbraw/zinc/82/26/10/1394822610.db2.gz LWTITSTVEKGAFU-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482366471 1394928531 /nfs/dbraw/zinc/92/85/31/1394928531.db2.gz AMOKVGZTTQODII-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001698972997 1406738531 /nfs/dbraw/zinc/73/85/31/1406738531.db2.gz POZXEWAQOKXNMZ-XLIONFOSSA-N 2 0 345.531 3.128 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001483845533 1395111915 /nfs/dbraw/zinc/11/19/15/1395111915.db2.gz OBJSDDLZZBXNHZ-HXUWFJFHSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001483915670 1395143395 /nfs/dbraw/zinc/14/33/95/1395143395.db2.gz HOMBSMADLNPRTN-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001484065747 1395227929 /nfs/dbraw/zinc/22/79/29/1395227929.db2.gz ZAUROROXBZPQBU-OAQYLSRUSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001484770584 1395529673 /nfs/dbraw/zinc/52/96/73/1395529673.db2.gz GZZAUYGEOMZYKP-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCC1)C2)[NH+](C)C ZINC001484875324 1395578911 /nfs/dbraw/zinc/57/89/11/1395578911.db2.gz APVHIFDVNFPBJC-FQEVSTJZSA-N 2 0 343.515 3.005 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001484985026 1395626343 /nfs/dbraw/zinc/62/63/43/1395626343.db2.gz AWBVNGYMNLIETH-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1 ZINC001485040600 1395646916 /nfs/dbraw/zinc/64/69/16/1395646916.db2.gz PEFGSWCRDNIFOG-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cccc(C)c1C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001485349905 1395824284 /nfs/dbraw/zinc/82/42/84/1395824284.db2.gz JNXBFCIPYMQYHF-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP CCCC[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485467092 1395942556 /nfs/dbraw/zinc/94/25/56/1395942556.db2.gz ZRAOMLVNSBEIBO-OALUTQOASA-N 2 0 335.536 3.236 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC001503503213 1396257641 /nfs/dbraw/zinc/25/76/41/1396257641.db2.gz YRIUFBIDKDVCFS-SFHVURJKSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001497845276 1396857178 /nfs/dbraw/zinc/85/71/78/1396857178.db2.gz KHFDXXYVMXPTPK-CABCVRRESA-N 2 0 349.906 3.124 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498368707 1396977714 /nfs/dbraw/zinc/97/77/14/1396977714.db2.gz WIPVANWYESDXNE-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C)cc1 ZINC001690458016 1404588083 /nfs/dbraw/zinc/58/80/83/1404588083.db2.gz XIEPQYPGWQUTIT-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001690471448 1404595902 /nfs/dbraw/zinc/59/59/02/1404595902.db2.gz HHHOLKULRBAQQH-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1C ZINC001690575436 1404637240 /nfs/dbraw/zinc/63/72/40/1404637240.db2.gz ULIIFWHYROHRDM-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001690635518 1404667517 /nfs/dbraw/zinc/66/75/17/1404667517.db2.gz PLUWOSXNAUPWED-MSOLQXFVSA-N 2 0 345.531 3.271 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001690650653 1404682041 /nfs/dbraw/zinc/68/20/41/1404682041.db2.gz OPBBXHYUNLFGLV-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001690784261 1404731707 /nfs/dbraw/zinc/73/17/07/1404731707.db2.gz IXUKBIRHUNAOAN-OALUTQOASA-N 2 0 349.494 3.015 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC1CCC(C(C)(C)C)CC1 ZINC001690987540 1404902905 /nfs/dbraw/zinc/90/29/05/1404902905.db2.gz HOYKROFXVSTADF-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001691000315 1404916030 /nfs/dbraw/zinc/91/60/30/1404916030.db2.gz BTVWILNKZBFKBE-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001691000316 1404916088 /nfs/dbraw/zinc/91/60/88/1404916088.db2.gz BTVWILNKZBFKBE-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@@H](C)c1ccccc1)C1CC1 ZINC001691211498 1405151162 /nfs/dbraw/zinc/15/11/62/1405151162.db2.gz UCWSEOYDDZBTCO-PXNSSMCTSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001691781889 1405491123 /nfs/dbraw/zinc/49/11/23/1405491123.db2.gz GCQHMRWAMUFQIC-GOSISDBHSA-N 2 0 331.504 3.108 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691831305 1405544941 /nfs/dbraw/zinc/54/49/41/1405544941.db2.gz MHOZYGCTXRNZHG-MXVIHJGJSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001691990140 1405703777 /nfs/dbraw/zinc/70/37/77/1405703777.db2.gz VVFSNKIWEWIBMM-DLBZAZTESA-N 2 0 349.494 3.009 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001698586852 1406204514 /nfs/dbraw/zinc/20/45/14/1406204514.db2.gz DYYBJSLHOPFXNQ-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001698589157 1406210006 /nfs/dbraw/zinc/21/00/06/1406210006.db2.gz ZCTHWGIBRSPWLX-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001698599699 1406224797 /nfs/dbraw/zinc/22/47/97/1406224797.db2.gz GNVDQBROEWRHJH-GOSISDBHSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001698602768 1406228971 /nfs/dbraw/zinc/22/89/71/1406228971.db2.gz OZFBBADUDJPRHM-WMZOPIPTSA-N 2 0 331.504 3.025 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732072896 1428322363 /nfs/dbraw/zinc/32/23/63/1428322363.db2.gz JICIJWDLERUSFX-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001732091785 1428358603 /nfs/dbraw/zinc/35/86/03/1428358603.db2.gz XWIKHJOZLJUYNQ-SLFFLAALSA-N 2 0 345.531 3.305 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCC2)c1 ZINC001732232950 1428479541 /nfs/dbraw/zinc/47/95/41/1428479541.db2.gz IYMXVBWLUYDZQW-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2cccc(F)c2)CCCC1 ZINC001732399579 1428565859 /nfs/dbraw/zinc/56/58/59/1428565859.db2.gz KSBAZSWOXMZHPP-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001699219668 1412583770 /nfs/dbraw/zinc/58/37/70/1412583770.db2.gz FUWPHZKVHJLVBX-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001699383955 1412693761 /nfs/dbraw/zinc/69/37/61/1412693761.db2.gz LGNCCPMHZYHIGI-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001699736787 1413148270 /nfs/dbraw/zinc/14/82/70/1413148270.db2.gz GJBDQHUIMQDMAN-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C[C@H]1C ZINC001699742477 1413153453 /nfs/dbraw/zinc/15/34/53/1413153453.db2.gz ZHJZKFFLKSIURF-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001700125238 1413540942 /nfs/dbraw/zinc/54/09/42/1413540942.db2.gz OWGOKMGQXBYXLV-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001700196405 1413637676 /nfs/dbraw/zinc/63/76/76/1413637676.db2.gz DZJMTPKVFLCBHQ-WOJBJXKFSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)c1 ZINC001732555783 1428743271 /nfs/dbraw/zinc/74/32/71/1428743271.db2.gz CCVSRRRAUKHPRS-LJQANCHMSA-N 2 0 345.531 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)[C@H](C)C1 ZINC001700321079 1413787679 /nfs/dbraw/zinc/78/76/79/1413787679.db2.gz WNOJWBKZJOITKJ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001700341430 1413822937 /nfs/dbraw/zinc/82/29/37/1413822937.db2.gz OBLGIDZKNZEBGH-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001700435556 1414001806 /nfs/dbraw/zinc/00/18/06/1414001806.db2.gz OZMNXBJFQOKNHG-KKXNLOMOSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700488436 1414138260 /nfs/dbraw/zinc/13/82/60/1414138260.db2.gz YLLWGVITKMDQBI-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732584969 1428797205 /nfs/dbraw/zinc/79/72/05/1428797205.db2.gz DVHOZXIRMDSIKO-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001700781712 1414464589 /nfs/dbraw/zinc/46/45/89/1414464589.db2.gz ZGYQCQCBKSVEQJ-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001700878079 1414533928 /nfs/dbraw/zinc/53/39/28/1414533928.db2.gz GKAHXWMDNRPZAG-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1c(C)ccc2ccccc21 ZINC001732976846 1429103674 /nfs/dbraw/zinc/10/36/74/1429103674.db2.gz SDJDDLQIGUYYEH-QGZVFWFLSA-N 2 0 341.499 3.084 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713052730 1417605070 /nfs/dbraw/zinc/60/50/70/1417605070.db2.gz IZFHMEVZSSYOCQ-QGZVFWFLSA-N 2 0 343.515 3.155 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001713136296 1417717817 /nfs/dbraw/zinc/71/78/17/1417717817.db2.gz CCKZOWHDAYXNJT-IBGZPJMESA-N 2 0 337.552 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713276520 1417896928 /nfs/dbraw/zinc/89/69/28/1417896928.db2.gz WTJXCRCISHUDOE-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001713277523 1417900068 /nfs/dbraw/zinc/90/00/68/1417900068.db2.gz JOFKEFAWZKIOGB-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001733064660 1429216801 /nfs/dbraw/zinc/21/68/01/1429216801.db2.gz BASBTRYIGUDTBE-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](CC)[C@@H](C)c2ccccc2)C1 ZINC001713490408 1418188859 /nfs/dbraw/zinc/18/88/59/1418188859.db2.gz FDEYPBHLHJFILI-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC1CCCCCC1 ZINC001713546835 1418317824 /nfs/dbraw/zinc/31/78/24/1418317824.db2.gz AKUGFWRUQYVBRB-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCCc2ccccc21)[NH+](CC)CC ZINC001713633338 1418402972 /nfs/dbraw/zinc/40/29/72/1418402972.db2.gz JDYVNIASYKDSJY-PMACEKPBSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001713680218 1418432278 /nfs/dbraw/zinc/43/22/78/1418432278.db2.gz YNNGPGPCCBASQY-KRWDZBQOSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001713791230 1418609369 /nfs/dbraw/zinc/60/93/69/1418609369.db2.gz SGTNQNRGRINOBQ-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP C[NH+](CCC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001713893710 1418690218 /nfs/dbraw/zinc/69/02/18/1418690218.db2.gz AAPBTFOVPOXUQN-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713897196 1418696070 /nfs/dbraw/zinc/69/60/70/1418696070.db2.gz HWUGMLKMPRPSDX-MOPGFXCFSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714036005 1418824320 /nfs/dbraw/zinc/82/43/20/1418824320.db2.gz PKXSWWGEACUGKR-MSOLQXFVSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001714050512 1418849454 /nfs/dbraw/zinc/84/94/54/1418849454.db2.gz YVWSMLBLZCEBBQ-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CC2)CCCCC1 ZINC001714109136 1418909664 /nfs/dbraw/zinc/90/96/64/1418909664.db2.gz GKHZXUJIJYOUNM-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+]C/C=C/c2ccccc2)CCCC1)[NH+](C)C ZINC001714148549 1418954263 /nfs/dbraw/zinc/95/42/63/1418954263.db2.gz OITBDXFXHJPENU-YFPIXMDGSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001714536796 1419262990 /nfs/dbraw/zinc/26/29/90/1419262990.db2.gz IEBAQNDQHWQCOY-QFBILLFUSA-N 2 0 331.504 3.013 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](C)Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001714552274 1419280001 /nfs/dbraw/zinc/28/00/01/1419280001.db2.gz IDFMGGGQLFQPOE-HXUWFJFHSA-N 2 0 347.547 3.117 20 0 EGADRP Cc1ccccc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001714620388 1419386129 /nfs/dbraw/zinc/38/61/29/1419386129.db2.gz MMEXOUMGZVEJRC-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714762015 1419497548 /nfs/dbraw/zinc/49/75/48/1419497548.db2.gz BMSJVCOEGPCYFG-AZUAARDMSA-N 2 0 345.531 3.367 20 0 EGADRP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001715017403 1419747668 /nfs/dbraw/zinc/74/76/68/1419747668.db2.gz FPJSKEPTFJQNTO-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001715033369 1419766532 /nfs/dbraw/zinc/76/65/32/1419766532.db2.gz VYOHJQDWVRZPMV-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001715322265 1420029659 /nfs/dbraw/zinc/02/96/59/1420029659.db2.gz QDDXKNXVQDCKHZ-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715326896 1420033955 /nfs/dbraw/zinc/03/39/55/1420033955.db2.gz GBZXEDCOWUIGAU-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001715457500 1420138370 /nfs/dbraw/zinc/13/83/70/1420138370.db2.gz GRGPVZAVYSQAJS-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001715541629 1420239611 /nfs/dbraw/zinc/23/96/11/1420239611.db2.gz AZAKURBALPPRJU-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001715548345 1420244963 /nfs/dbraw/zinc/24/49/63/1420244963.db2.gz KXKCNYWPLCZEPR-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC001716001706 1420455540 /nfs/dbraw/zinc/45/55/40/1420455540.db2.gz YTEBVDORGCSOLY-DLBZAZTESA-N 2 0 341.499 3.337 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC(C)(C)C)C1 ZINC001716051943 1420516312 /nfs/dbraw/zinc/51/63/12/1420516312.db2.gz UCUHORUMVCHBDT-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716065134 1420523769 /nfs/dbraw/zinc/52/37/69/1420523769.db2.gz JHVGUIXETYNKHC-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001716074145 1420529147 /nfs/dbraw/zinc/52/91/47/1420529147.db2.gz WEEIVDKIRIBQAW-UXHICEINSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001716184420 1420555423 /nfs/dbraw/zinc/55/54/23/1420555423.db2.gz XTHJNSOHHJIBNV-MOPGFXCFSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001716502223 1420729878 /nfs/dbraw/zinc/72/98/78/1420729878.db2.gz NUYYDTHBBMRGPW-MSOLQXFVSA-N 2 0 345.531 3.305 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2CC2CCC(C)(C)CC2)CC1 ZINC001716666272 1420820699 /nfs/dbraw/zinc/82/06/99/1420820699.db2.gz CRNORGMUZGEYFW-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716763853 1420910686 /nfs/dbraw/zinc/91/06/86/1420910686.db2.gz HCWIIDDMHUNFCH-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001716767281 1420912684 /nfs/dbraw/zinc/91/26/84/1420912684.db2.gz JUCWBDFLTUHMQG-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001716799471 1420932618 /nfs/dbraw/zinc/93/26/18/1420932618.db2.gz GAVUHBXQFZRAFH-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(C)(C)C)CCC1 ZINC001716827564 1420953210 /nfs/dbraw/zinc/95/32/10/1420953210.db2.gz ZKFNJSSMJGGHHD-MSOLQXFVSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001717106482 1421112531 /nfs/dbraw/zinc/11/25/31/1421112531.db2.gz AROUOZASQGCMPS-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001717217549 1421195518 /nfs/dbraw/zinc/19/55/18/1421195518.db2.gz SKLYERZVEVZHCU-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)C[C@H]1C ZINC001717828994 1421642239 /nfs/dbraw/zinc/64/22/39/1421642239.db2.gz ZMBKNEHFJOMFAT-IEBWSBKVSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001717830899 1421643083 /nfs/dbraw/zinc/64/30/83/1421643083.db2.gz WEMSKPXXBNPUJS-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001717877522 1421683433 /nfs/dbraw/zinc/68/34/33/1421683433.db2.gz ADHVVQGUYDNXMD-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001733378573 1429562300 /nfs/dbraw/zinc/56/23/00/1429562300.db2.gz AYFUKYADIVJHTH-PMACEKPBSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(NCC1([NH2+]CCC2CCCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001723532188 1424455229 /nfs/dbraw/zinc/45/52/29/1424455229.db2.gz YURYRXBLYYUWMM-UHFFFAOYSA-N 2 0 347.547 3.214 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCCCCC3)CC2)C1 ZINC001723552125 1424460877 /nfs/dbraw/zinc/46/08/77/1424460877.db2.gz MPGBITWTFLBNPG-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001724292937 1424777307 /nfs/dbraw/zinc/77/73/07/1424777307.db2.gz ZYVAYTAKTCSMAT-UHFFFAOYSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001724295281 1424780573 /nfs/dbraw/zinc/78/05/73/1424780573.db2.gz PISKABFZBWAZIL-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP CCc1ccc(C[NH+](C)C[C@@H]2CCCN2C(=O)CC[N@@H+](C)CC)cc1 ZINC001725047295 1425477232 /nfs/dbraw/zinc/47/72/32/1425477232.db2.gz FZRZATRPDLLWAQ-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1)[NH+](CC)CC ZINC001725425609 1426085309 /nfs/dbraw/zinc/08/53/09/1426085309.db2.gz UJAPQFUTJXERSV-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001725561234 1426224817 /nfs/dbraw/zinc/22/48/17/1426224817.db2.gz AJZPUBCBNNKRAH-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001725613111 1426274161 /nfs/dbraw/zinc/27/41/61/1426274161.db2.gz AYFXWRSDWKIFNC-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001725656826 1426339286 /nfs/dbraw/zinc/33/92/86/1426339286.db2.gz MFWDLPLVVKGWTJ-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001731354274 1427293822 /nfs/dbraw/zinc/29/38/22/1427293822.db2.gz FCPFGWWYHPKZMQ-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCN(C(=O)Cn1ccnc1C(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001731387657 1427335762 /nfs/dbraw/zinc/33/57/62/1427335762.db2.gz SRZZUEJEPIVNBC-UHFFFAOYSA-N 2 0 348.535 3.366 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](C(C)C)CC1 ZINC001731388215 1427337435 /nfs/dbraw/zinc/33/74/35/1427337435.db2.gz YJMDGZRJMMODAC-UHFFFAOYSA-N 2 0 345.531 3.473 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)Cc2ccc(C)cc2)C1 ZINC001731417146 1427388448 /nfs/dbraw/zinc/38/84/48/1427388448.db2.gz BOIYHIFAIXFWIO-FQEVSTJZSA-N 2 0 345.531 3.007 20 0 EGADRP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001731464073 1427441640 /nfs/dbraw/zinc/44/16/40/1427441640.db2.gz ZJCIARPFQCIUKS-YQQQUEKLSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001731721654 1427793658 /nfs/dbraw/zinc/79/36/58/1427793658.db2.gz XCAAKXJBRXFXPT-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001731811950 1427995910 /nfs/dbraw/zinc/99/59/10/1427995910.db2.gz ZFJVHPOASPFLCD-VQIMIIECSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001733681310 1429890501 /nfs/dbraw/zinc/89/05/01/1429890501.db2.gz CAPBOHPQLREVTD-INIZCTEOSA-N 2 0 331.504 3.094 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733783039 1430050430 /nfs/dbraw/zinc/05/04/30/1430050430.db2.gz VJOFEEHTCCQFHN-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877583 1437704862 /nfs/dbraw/zinc/70/48/62/1437704862.db2.gz CPRWKCILWPURQL-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734105011 1437891310 /nfs/dbraw/zinc/89/13/10/1437891310.db2.gz ZEIOXGBXOZLHQD-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CCC1CCCCCC1 ZINC001734327689 1438052668 /nfs/dbraw/zinc/05/26/68/1438052668.db2.gz CGOAOJCGUUBXIL-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001734343991 1438063718 /nfs/dbraw/zinc/06/37/18/1438063718.db2.gz NNOMZBQNRNHUMD-ZWKOTPCHSA-N 2 0 347.547 3.470 20 0 EGADRP C[N@H+](CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C)C1CCC1 ZINC001734560719 1438158695 /nfs/dbraw/zinc/15/86/95/1438158695.db2.gz HQXPLAKJPGJIEV-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCC1CCCCC1 ZINC001752121680 1440142626 /nfs/dbraw/zinc/14/26/26/1440142626.db2.gz MOOSEUPFWLZBIQ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001752159592 1440148538 /nfs/dbraw/zinc/14/85/38/1440148538.db2.gz RDYFIGRZTBGPDQ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001752520463 1440192440 /nfs/dbraw/zinc/19/24/40/1440192440.db2.gz YYKHXFHPPBVDFW-PMACEKPBSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001752526417 1440193098 /nfs/dbraw/zinc/19/30/98/1440193098.db2.gz UVROEUNQDTUWHU-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC001752706870 1440202778 /nfs/dbraw/zinc/20/27/78/1440202778.db2.gz KKQPLHFDEUJZFC-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC001752765075 1440205515 /nfs/dbraw/zinc/20/55/15/1440205515.db2.gz GWJBBVMEBZOUNU-YSHGAJCASA-N 2 0 331.504 3.105 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001752768613 1440205892 /nfs/dbraw/zinc/20/58/92/1440205892.db2.gz IGAXHGMVIWDCKI-QRQLOZEOSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001752787136 1440211964 /nfs/dbraw/zinc/21/19/64/1440211964.db2.gz HGDYGALJRIVYRZ-UYAOXDASSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001752790093 1440213464 /nfs/dbraw/zinc/21/34/64/1440213464.db2.gz RJTDIMLVUCDNDB-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752796992 1440214424 /nfs/dbraw/zinc/21/44/24/1440214424.db2.gz CGKAYVUJXKTXMU-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001752804450 1440215565 /nfs/dbraw/zinc/21/55/65/1440215565.db2.gz POMSYOCJPGUTJB-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001752805582 1440215680 /nfs/dbraw/zinc/21/56/80/1440215680.db2.gz SWBIIUQLUABSJA-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001752809506 1440216356 /nfs/dbraw/zinc/21/63/56/1440216356.db2.gz FNVKCKMDTVFYSL-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752837328 1440228615 /nfs/dbraw/zinc/22/86/15/1440228615.db2.gz SCQYAQYRMGCYII-ZSQQTYLHSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001752854672 1440234622 /nfs/dbraw/zinc/23/46/22/1440234622.db2.gz QYHHVTSFJIVEIB-UHFFFAOYSA-N 2 0 349.494 3.075 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001752955337 1440252611 /nfs/dbraw/zinc/25/26/11/1440252611.db2.gz GIZJHZLRCCLIMZ-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001752973227 1440255540 /nfs/dbraw/zinc/25/55/40/1440255540.db2.gz GHKYTEZMQYNTFN-MOPGFXCFSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001752976709 1440256215 /nfs/dbraw/zinc/25/62/15/1440256215.db2.gz QQSDMYFKYOHNIE-MOPGFXCFSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996597 1440262293 /nfs/dbraw/zinc/26/22/93/1440262293.db2.gz GWEZHDPGOVLUSA-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP Cc1cccc([C@@H](C)[NH+](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001752999440 1440263690 /nfs/dbraw/zinc/26/36/90/1440263690.db2.gz ADMHXPQMVNTNED-QUCCMNQESA-N 2 0 345.531 3.319 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001753014497 1440268074 /nfs/dbraw/zinc/26/80/74/1440268074.db2.gz NYXBAIWJQVRXFB-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753020137 1440269616 /nfs/dbraw/zinc/26/96/16/1440269616.db2.gz DFBLPLCMNMAINA-XLIONFOSSA-N 2 0 345.531 3.108 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001753105242 1440305997 /nfs/dbraw/zinc/30/59/97/1440305997.db2.gz ANQCZLIRQZORHD-RTBURBONSA-N 2 0 335.536 3.164 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753136191 1440318912 /nfs/dbraw/zinc/31/89/12/1440318912.db2.gz UJLUGZLFJRVREP-HEVSSNLLSA-N 2 0 349.563 3.434 20 0 EGADRP CC1CC(C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C2CC2)C1 ZINC001753155872 1440330920 /nfs/dbraw/zinc/33/09/20/1440330920.db2.gz JRDAMTUHBPTDIQ-LBXVMSDZSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001753265832 1440344774 /nfs/dbraw/zinc/34/47/74/1440344774.db2.gz QEZIOIWTQGKSQS-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753273830 1440345842 /nfs/dbraw/zinc/34/58/42/1440345842.db2.gz MUZICSFZIWSYNN-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001753283373 1440348083 /nfs/dbraw/zinc/34/80/83/1440348083.db2.gz QEFAMLCVOLZGKY-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001753320060 1440362751 /nfs/dbraw/zinc/36/27/51/1440362751.db2.gz SJWZMPHLKDYXJV-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001753325777 1440366565 /nfs/dbraw/zinc/36/65/65/1440366565.db2.gz DGGCTFNSHGZLRW-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753328961 1440368211 /nfs/dbraw/zinc/36/82/11/1440368211.db2.gz QYSJXHXONWUIJC-HBCQFFLPSA-N 2 0 349.563 3.386 20 0 EGADRP CC/C=C\CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753328963 1440368227 /nfs/dbraw/zinc/36/82/27/1440368227.db2.gz QYSJXHXONWUIJC-RZZOZFHJSA-N 2 0 349.563 3.386 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001753403695 1440391488 /nfs/dbraw/zinc/39/14/88/1440391488.db2.gz FXYDTSHKIXKEQQ-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753428908 1440397968 /nfs/dbraw/zinc/39/79/68/1440397968.db2.gz FTRPXMNXMXHCNL-GUDVDZBRSA-N 2 0 349.494 3.054 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438486 1440400730 /nfs/dbraw/zinc/40/07/30/1440400730.db2.gz AHJDPJVAJKUQMV-MSOLQXFVSA-N 2 0 343.515 3.073 20 0 EGADRP CCCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001753460575 1440410485 /nfs/dbraw/zinc/41/04/85/1440410485.db2.gz BPQZKHZWRROPQC-SFHVURJKSA-N 2 0 342.487 3.369 20 0 EGADRP CCC(CC)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001753507188 1440424772 /nfs/dbraw/zinc/42/47/72/1440424772.db2.gz PIJSECTYVVXIRN-WMZOPIPTSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC1CCCC1)C1CC1)CC(C)(C)C ZINC001753524482 1440429213 /nfs/dbraw/zinc/42/92/13/1440429213.db2.gz FOWFQAKVOVCUED-FQEVSTJZSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001753586784 1440441597 /nfs/dbraw/zinc/44/15/97/1440441597.db2.gz BIRQXZJRBYYDNO-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753595128 1440444283 /nfs/dbraw/zinc/44/42/83/1440444283.db2.gz QORAILYYNNZJSX-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001753598527 1440445536 /nfs/dbraw/zinc/44/55/36/1440445536.db2.gz KNJXMAIQEBZVHM-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001753602009 1440446593 /nfs/dbraw/zinc/44/65/93/1440446593.db2.gz YIRSBBCAPMAXQC-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753639488 1440454087 /nfs/dbraw/zinc/45/40/87/1440454087.db2.gz HBEXCBZPAAOILC-MJGOQNOKSA-N 2 0 349.563 3.031 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1)N(C)C(=O)CC[NH+](C)C ZINC001753710148 1440470464 /nfs/dbraw/zinc/47/04/64/1440470464.db2.gz ANQUOHSTLKYQSE-IAGOWNOFSA-N 2 0 341.499 3.289 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753729682 1440475516 /nfs/dbraw/zinc/47/55/16/1440475516.db2.gz PGLSBVPJPDNHMH-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001753755929 1440483107 /nfs/dbraw/zinc/48/31/07/1440483107.db2.gz XVBBTIGPXBXTIR-LXORQPIJSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@H](C)c1ccccc1 ZINC001753788469 1440488530 /nfs/dbraw/zinc/48/85/30/1440488530.db2.gz PRENIWVAEDBVJX-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001753788703 1440488740 /nfs/dbraw/zinc/48/87/40/1440488740.db2.gz SOGFGYXDWFESMC-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753810951 1440492755 /nfs/dbraw/zinc/49/27/55/1440492755.db2.gz CWRVHKZISILEBI-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP CCCCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001753818663 1440495143 /nfs/dbraw/zinc/49/51/43/1440495143.db2.gz YXDYCWKLQSVXCX-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001753819739 1440495202 /nfs/dbraw/zinc/49/52/02/1440495202.db2.gz BPRVLAJAYPNNCJ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](C(=O)N(C)CC[N@H+](C)CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001753864859 1440513841 /nfs/dbraw/zinc/51/38/41/1440513841.db2.gz YKYAEPMFXVSTHT-SFHVURJKSA-N 2 0 335.536 3.142 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753877779 1440520026 /nfs/dbraw/zinc/52/00/26/1440520026.db2.gz JOFPMYNYJYGLDN-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](CC[NH2+]CCC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001754005319 1440530772 /nfs/dbraw/zinc/53/07/72/1440530772.db2.gz TWYOPJOZNQQGKH-KRWDZBQOSA-N 2 0 335.536 3.093 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754156274 1440545587 /nfs/dbraw/zinc/54/55/87/1440545587.db2.gz JOVNDVDNDIANQB-DVBCCOPCSA-N 2 0 343.515 3.192 20 0 EGADRP O=C(NC/C=C\C[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754180362 1440548105 /nfs/dbraw/zinc/54/81/05/1440548105.db2.gz AGZJTMMYKYCOKR-UNQUKWGNSA-N 2 0 347.547 3.236 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754243342 1440556281 /nfs/dbraw/zinc/55/62/81/1440556281.db2.gz IZVBOJRRHWOGKE-QZTJIDSGSA-N 2 0 345.531 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001754249780 1440557534 /nfs/dbraw/zinc/55/75/34/1440557534.db2.gz OWJROWMGRJSPPP-WWDZGPRUSA-N 2 0 339.568 3.275 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001754309683 1440572516 /nfs/dbraw/zinc/57/25/16/1440572516.db2.gz DLVTWGZTNHALES-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754329350 1440582745 /nfs/dbraw/zinc/58/27/45/1440582745.db2.gz ZWHNEUPRWQHGQL-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCCCCC1 ZINC001754335998 1440586573 /nfs/dbraw/zinc/58/65/73/1440586573.db2.gz JLBHXCREYFOTBC-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001754347034 1440589950 /nfs/dbraw/zinc/58/99/50/1440589950.db2.gz VECDPVNQLYRFDV-YQHFQFMOSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001754395966 1440594647 /nfs/dbraw/zinc/59/46/47/1440594647.db2.gz WIPDPKWBZIGMAP-UHFFFAOYSA-N 2 0 347.547 3.219 20 0 EGADRP C[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001754401124 1440595211 /nfs/dbraw/zinc/59/52/11/1440595211.db2.gz QWPJLORCOASFAX-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001754449530 1440600703 /nfs/dbraw/zinc/60/07/03/1440600703.db2.gz TWFPMNAWGZXLIU-VDGAXYAQSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001754460988 1440603382 /nfs/dbraw/zinc/60/33/82/1440603382.db2.gz FEBHOJJMQHFEKR-WOJBJXKFSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001754460987 1440603441 /nfs/dbraw/zinc/60/34/41/1440603441.db2.gz FEBHOJJMQHFEKR-VQTJNVASSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1[NH2+]CC=C(C)C ZINC001754463246 1440603795 /nfs/dbraw/zinc/60/37/95/1440603795.db2.gz AUOOIMKJVNLXCJ-RTBURBONSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001754470858 1440605398 /nfs/dbraw/zinc/60/53/98/1440605398.db2.gz RTOQXACDZLVYKN-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001754505073 1440616022 /nfs/dbraw/zinc/61/60/22/1440616022.db2.gz PZMCRPGUSMCDKQ-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1)c1ccccc1F ZINC001754525239 1440620735 /nfs/dbraw/zinc/62/07/35/1440620735.db2.gz IHFJYXZUEBGMLQ-HNNXBMFYSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)cc1C ZINC001754525490 1440620874 /nfs/dbraw/zinc/62/08/74/1440620874.db2.gz RWPHHZAAGBDNEW-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001754543898 1440626862 /nfs/dbraw/zinc/62/68/62/1440626862.db2.gz IDMGYVUWTNJQEN-QYZOEREBSA-N 2 0 337.552 3.362 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001754561243 1440633669 /nfs/dbraw/zinc/63/36/69/1440633669.db2.gz NGZQRLQHSBMKQO-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001754613824 1440644279 /nfs/dbraw/zinc/64/42/79/1440644279.db2.gz ZJNSVBHIWKWFLW-SFHVURJKSA-N 2 0 337.552 3.410 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccc(F)cc1 ZINC001754615769 1440644418 /nfs/dbraw/zinc/64/44/18/1440644418.db2.gz BJPLNQUNKSRUNR-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP CC/C=C\CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001754630400 1440647516 /nfs/dbraw/zinc/64/75/16/1440647516.db2.gz FXNYZXXUFLGPNU-WAYWQWQTSA-N 2 0 335.536 3.045 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H](C[NH2+]CC2CCCC2)C2CCCC2)CC1 ZINC001754654442 1440652955 /nfs/dbraw/zinc/65/29/55/1440652955.db2.gz OSDIPRDIZJRQDD-HXUWFJFHSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754670256 1440657849 /nfs/dbraw/zinc/65/78/49/1440657849.db2.gz MFQOWIMDSFBDCZ-RXVVDRJESA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001754674742 1440659434 /nfs/dbraw/zinc/65/94/34/1440659434.db2.gz BFBQVMXFWRXJHA-QRMWTIMZSA-N 2 0 335.536 3.188 20 0 EGADRP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001754679961 1440661790 /nfs/dbraw/zinc/66/17/90/1440661790.db2.gz DKXPGYYVGOCCHH-NRFANRHFSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754697313 1440667325 /nfs/dbraw/zinc/66/73/25/1440667325.db2.gz OUDFBZDXTKRAHE-QULHZPMSSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001754735803 1440682287 /nfs/dbraw/zinc/68/22/87/1440682287.db2.gz LAKDUOCABSBERS-OAQYLSRUSA-N 2 0 345.531 3.033 20 0 EGADRP CCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1CC ZINC001754784978 1440687367 /nfs/dbraw/zinc/68/73/67/1440687367.db2.gz GXCZKYLWVDJZIC-IBGZPJMESA-N 2 0 345.531 3.280 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001754807755 1440691462 /nfs/dbraw/zinc/69/14/62/1440691462.db2.gz SVTGVIUXIVNVKO-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)C1 ZINC001754955767 1440716380 /nfs/dbraw/zinc/71/63/80/1440716380.db2.gz QZLVVAKZOSJXLD-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CCC2CCCCC2)CCC1)C1CCC1 ZINC001754982360 1440721637 /nfs/dbraw/zinc/72/16/37/1440721637.db2.gz UMIKDUYGNUUTGC-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CCC2)CC[N@@H+]1C ZINC001754985110 1440722385 /nfs/dbraw/zinc/72/23/85/1440722385.db2.gz IFSFWJUMSCPILU-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001755024560 1440728024 /nfs/dbraw/zinc/72/80/24/1440728024.db2.gz CRYPFVPQHZDYKP-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H](C)CC)CC1)[NH+](CC)CC ZINC001755133650 1440757746 /nfs/dbraw/zinc/75/77/46/1440757746.db2.gz YDUQLAANYBDQRF-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)CCCC[NH+](C)C)C3)C1 ZINC001755079761 1440750446 /nfs/dbraw/zinc/75/04/46/1440750446.db2.gz QGIIUXGXXKHVNX-GRERDSQWSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C ZINC001755143395 1440761962 /nfs/dbraw/zinc/76/19/62/1440761962.db2.gz YHTZLHXDZJTDKE-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001755161975 1440765030 /nfs/dbraw/zinc/76/50/30/1440765030.db2.gz OVMJRVAPNGLKCL-DSQZMVHQSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001755165857 1440767142 /nfs/dbraw/zinc/76/71/42/1440767142.db2.gz SYNORJJIXNDMGN-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755197623 1440777652 /nfs/dbraw/zinc/77/76/52/1440777652.db2.gz YNDTXAVSRGMGLU-HPFMTEOYSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)(C)C)[NH+](CC)CC ZINC001755198803 1440778448 /nfs/dbraw/zinc/77/84/48/1440778448.db2.gz HRLNKTHADZVLJB-QZTJIDSGSA-N 2 0 339.568 3.466 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001755202083 1440780425 /nfs/dbraw/zinc/78/04/25/1440780425.db2.gz ZBTZDSHTFPDUJM-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001755204037 1440781497 /nfs/dbraw/zinc/78/14/97/1440781497.db2.gz FXOLHKDAAIADMD-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(NC1CC(C[NH2+]CCC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755216091 1440784040 /nfs/dbraw/zinc/78/40/40/1440784040.db2.gz MXZAKNNNEFDZNR-AFMYVXGZSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001755237237 1440788514 /nfs/dbraw/zinc/78/85/14/1440788514.db2.gz LYGCCTQDZOSPSD-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001755249221 1440791403 /nfs/dbraw/zinc/79/14/03/1440791403.db2.gz OCJKAAXHDVFHEJ-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300674 1440808372 /nfs/dbraw/zinc/80/83/72/1440808372.db2.gz VOQLZVQHVGAMMW-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CCC(C)(C)C ZINC001755319570 1440817844 /nfs/dbraw/zinc/81/78/44/1440817844.db2.gz JAXKKXORONEMEY-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001755413213 1440847212 /nfs/dbraw/zinc/84/72/12/1440847212.db2.gz VGUXTLGCWVFQCX-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)CC1(C)C ZINC001755413970 1440847868 /nfs/dbraw/zinc/84/78/68/1440847868.db2.gz NGOZYYOQTYYTCL-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+]([C@@H](C)c1ccccc1)C2 ZINC001755458650 1440856751 /nfs/dbraw/zinc/85/67/51/1440856751.db2.gz ONMKQIDIQRKMOI-SFHVURJKSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCC1 ZINC001755498628 1440862374 /nfs/dbraw/zinc/86/23/74/1440862374.db2.gz MPFAZQBMFMDSCV-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001755619105 1440889957 /nfs/dbraw/zinc/88/99/57/1440889957.db2.gz UICMJYWGZQOWFS-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001755687627 1440896213 /nfs/dbraw/zinc/89/62/13/1440896213.db2.gz BQOBUEYBMURUFX-MOPGFXCFSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCCC1 ZINC001755723444 1440908355 /nfs/dbraw/zinc/90/83/55/1440908355.db2.gz PCSXTGVNRKCEQV-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755814754 1440922706 /nfs/dbraw/zinc/92/27/06/1440922706.db2.gz NBMSDBNNRBSMCQ-SFHVURJKSA-N 2 0 325.541 3.076 20 0 EGADRP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755814873 1440923071 /nfs/dbraw/zinc/92/30/71/1440923071.db2.gz ROAPPUMZJSBFMQ-IBGZPJMESA-N 2 0 337.552 3.386 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755822122 1440926121 /nfs/dbraw/zinc/92/61/21/1440926121.db2.gz NMPWSIBGENTOPN-PKOBYXMFSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001755828499 1440928030 /nfs/dbraw/zinc/92/80/30/1440928030.db2.gz JRLJLLXRUNFKBB-GOSISDBHSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001755846392 1440933602 /nfs/dbraw/zinc/93/36/02/1440933602.db2.gz YCOIRINBVADEJH-XLIONFOSSA-N 2 0 345.531 3.305 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001755859509 1440936350 /nfs/dbraw/zinc/93/63/50/1440936350.db2.gz VXDGQJSHXGCGBE-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001755900183 1440943710 /nfs/dbraw/zinc/94/37/10/1440943710.db2.gz WXBYYNFHDIXSPF-QZTJIDSGSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1cc2[nH]ccc2c(N2CC[NH+](CCOc3ccccc3)CC2)[nH+]1 ZINC001165044925 721957317 /nfs/dbraw/zinc/95/73/17/721957317.db2.gz RJVBNKSQQMPHRK-UHFFFAOYSA-N 2 0 336.439 3.072 20 0 EGADRP Cc1cc(N2CCCC2)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165046680 721964577 /nfs/dbraw/zinc/96/45/77/721964577.db2.gz MPZSSSWRRWRBSF-SFHVURJKSA-N 2 0 343.519 3.230 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CS[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000368462825 168359994 /nfs/dbraw/zinc/35/99/94/168359994.db2.gz QLNSLHNTSHBPBK-WMZOPIPTSA-N 2 0 339.593 3.055 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000368897721 168377794 /nfs/dbraw/zinc/37/77/94/168377794.db2.gz SSCSBMPIRHWJFB-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)CCCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000103168955 219265060 /nfs/dbraw/zinc/26/50/60/219265060.db2.gz QDVPLJOHYFTTMF-UHFFFAOYSA-N 2 0 347.484 3.360 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000187120419 236123694 /nfs/dbraw/zinc/12/36/94/236123694.db2.gz WGAMKIIESIGXSB-OAHLLOKOSA-N 2 0 334.479 3.477 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000361502518 296035673 /nfs/dbraw/zinc/03/56/73/296035673.db2.gz XQBTWZSTDXNJFC-QUCCMNQESA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272227415 201249495 /nfs/dbraw/zinc/24/94/95/201249495.db2.gz QURHTCMMOHHZEH-DWLFOUALSA-N 2 0 338.495 3.394 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272535368 201252522 /nfs/dbraw/zinc/25/25/22/201252522.db2.gz REJKRUFLZMEVEV-LRQRDZAKSA-N 2 0 342.458 3.359 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C[C@@H]3CCC=CO3)CC2)c1 ZINC000194194718 240476872 /nfs/dbraw/zinc/47/68/72/240476872.db2.gz LTLJHGDRZBPSPR-NRFANRHFSA-N 2 0 343.515 3.180 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236655030 242309026 /nfs/dbraw/zinc/30/90/26/242309026.db2.gz IACDGFBRZYTGCY-HXUWFJFHSA-N 2 0 339.483 3.233 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000262330795 284003931 /nfs/dbraw/zinc/00/39/31/284003931.db2.gz VNIBRVBOCIDJCO-YJBOKZPZSA-N 2 0 337.533 3.155 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000076004922 203330904 /nfs/dbraw/zinc/33/09/04/203330904.db2.gz MFJITCOWHGENPA-HNNXBMFYSA-N 2 0 337.895 3.332 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000125431449 205010461 /nfs/dbraw/zinc/01/04/61/205010461.db2.gz MGHXQBIZGXAKSW-QGZVFWFLSA-N 2 0 326.488 3.314 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000126732708 205069524 /nfs/dbraw/zinc/06/95/24/205069524.db2.gz DEWJMVFRQHFHAD-KRWDZBQOSA-N 2 0 341.474 3.424 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1)N1CC[NH+](C)CC1 ZINC000127771583 205117634 /nfs/dbraw/zinc/11/76/34/205117634.db2.gz RILUVFBTPTXNQO-KBPBESRZSA-N 2 0 343.487 3.288 20 0 EGADRP C[C@@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127407653 205099902 /nfs/dbraw/zinc/09/99/02/205099902.db2.gz LZYOPJDJHCJJNX-SIKLNZKXSA-N 2 0 337.511 3.196 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128252324 205140367 /nfs/dbraw/zinc/14/03/67/205140367.db2.gz GJIFKCNSCDBAIC-UZLBHIALSA-N 2 0 333.495 3.066 20 0 EGADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130489616 205242458 /nfs/dbraw/zinc/24/24/58/205242458.db2.gz APWVYNKVNKPHMK-OAHLLOKOSA-N 2 0 330.501 3.054 20 0 EGADRP CC(C)COCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132797583 205342298 /nfs/dbraw/zinc/34/22/98/205342298.db2.gz RLXGRHFOMAHPAE-UHFFFAOYSA-N 2 0 347.547 3.369 20 0 EGADRP CC(C)[C@@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000377634459 169052331 /nfs/dbraw/zinc/05/23/31/169052331.db2.gz XKKWDHBARBTWDD-JOCHJYFZSA-N 2 0 343.559 3.386 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC000378571045 169140111 /nfs/dbraw/zinc/14/01/11/169140111.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 2 0 341.543 3.359 20 0 EGADRP Brc1cc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)cs1 ZINC000094042573 218262158 /nfs/dbraw/zinc/26/21/58/218262158.db2.gz RCOGLLLJTLRDBR-UHFFFAOYSA-N 2 0 329.307 3.475 20 0 EGADRP c1nc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000176984200 207281283 /nfs/dbraw/zinc/28/12/83/207281283.db2.gz PSRPUIRATCTSQA-UHFFFAOYSA-N 2 0 345.512 3.304 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccs1 ZINC000177602545 207360581 /nfs/dbraw/zinc/36/05/81/207360581.db2.gz MBDKUPXHQMKDEB-NVXWUHKLSA-N 2 0 349.544 3.122 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2)[C@H](C)C1 ZINC000268709362 252158927 /nfs/dbraw/zinc/15/89/27/252158927.db2.gz CVVKAYHIPCQWNK-UYAOXDASSA-N 2 0 334.504 3.182 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4sccc43)cn2)CC1 ZINC000268792594 252243127 /nfs/dbraw/zinc/24/31/27/252243127.db2.gz YLUCKFPKMQBCDY-KRWDZBQOSA-N 2 0 342.512 3.062 20 0 EGADRP Brc1cccc(NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000352970157 532969309 /nfs/dbraw/zinc/96/93/09/532969309.db2.gz UNBZYJYAYNZJFA-HZPDHXFCSA-N 2 0 338.293 3.077 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000193028246 285361677 /nfs/dbraw/zinc/36/16/77/285361677.db2.gz RKENWJBASJOQPS-HKBOAZHASA-N 2 0 343.515 3.291 20 0 EGADRP COC(=O)C1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000192438500 533282002 /nfs/dbraw/zinc/28/20/02/533282002.db2.gz BKYOOOXHBHNGSJ-UHFFFAOYSA-N 2 0 330.472 3.104 20 0 EGADRP C[C@H]1CCCN(Cc2csc(NC(=O)CCCCCC[NH3+])n2)C1 ZINC000237504031 141005003 /nfs/dbraw/zinc/00/50/03/141005003.db2.gz GZLNQCYCRGKYKV-AWEZNQCLSA-N 2 0 338.521 3.223 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000246833348 141037698 /nfs/dbraw/zinc/03/76/98/141037698.db2.gz APGULFRXZKTHLX-GPMSIDNRSA-N 2 0 331.504 3.035 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000246853438 141038483 /nfs/dbraw/zinc/03/84/83/141038483.db2.gz BPLGYLIYPAFAPQ-LMMKCTJWSA-N 2 0 335.561 3.280 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853487 141038565 /nfs/dbraw/zinc/03/85/65/141038565.db2.gz BPLGYLIYPAFAPQ-SCTDSRPQSA-N 2 0 335.561 3.280 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338047344 141081231 /nfs/dbraw/zinc/08/12/31/141081231.db2.gz HEIXFVZMZIZRSC-HMSXXHTOSA-N 2 0 335.536 3.112 20 0 EGADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc2cccnc12 ZINC000346222576 141183993 /nfs/dbraw/zinc/18/39/93/141183993.db2.gz PELTVBDYYRQTGA-HSALFYBXSA-N 2 0 339.483 3.227 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@H]3CCCO3)CC2)c1 ZINC000346473253 141202135 /nfs/dbraw/zinc/20/21/35/141202135.db2.gz AQZJSDYVBCZGQS-PZJWPPBQSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1cc(F)ccc1CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000352959530 141277463 /nfs/dbraw/zinc/27/74/63/141277463.db2.gz VUSVUYHVWHZUPU-HDICACEKSA-N 2 0 333.495 3.125 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000353335740 141289212 /nfs/dbraw/zinc/28/92/12/141289212.db2.gz IAMOPHQLVUDDBX-QFBILLFUSA-N 2 0 347.503 3.185 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000353444866 141297041 /nfs/dbraw/zinc/29/70/41/141297041.db2.gz IJWGLVFXYYKDHF-VQTJNVASSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358009171 141379164 /nfs/dbraw/zinc/37/91/64/141379164.db2.gz CKEVHSPDTNYPKM-OXJNMPFZSA-N 2 0 326.488 3.043 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178409161 144070767 /nfs/dbraw/zinc/07/07/67/144070767.db2.gz FLXYYWBHEDWXFZ-SFHVURJKSA-N 3 0 333.520 3.154 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000178850180 144076230 /nfs/dbraw/zinc/07/62/30/144076230.db2.gz FLJMQHHDVUPEFX-IBGZPJMESA-N 2 0 331.504 3.067 20 0 EGADRP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000186486661 144134934 /nfs/dbraw/zinc/13/49/34/144134934.db2.gz DDTUFUQOYMAHEJ-OXJNMPFZSA-N 2 0 339.483 3.169 20 0 EGADRP Cc1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000187137143 144153199 /nfs/dbraw/zinc/15/31/99/144153199.db2.gz HGIPVHCHQWTTGJ-ROUUACIJSA-N 2 0 345.531 3.410 20 0 EGADRP CO[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1(C)C ZINC000344698241 144211290 /nfs/dbraw/zinc/21/12/90/144211290.db2.gz NHTAHNWKXZXVPZ-PMACEKPBSA-N 2 0 345.531 3.120 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1[nH+]ccn1Cc1ccccc1 ZINC000351551261 144278244 /nfs/dbraw/zinc/27/82/44/144278244.db2.gz UCRIMJXQJUAFOG-UHFFFAOYSA-N 2 0 344.422 3.433 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000154242052 152576384 /nfs/dbraw/zinc/57/63/84/152576384.db2.gz XHWDYHXEKUCLPU-HNNXBMFYSA-N 2 0 338.565 3.253 20 0 EGADRP CCS[C@@H]1CCCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191491464 153200442 /nfs/dbraw/zinc/20/04/42/153200442.db2.gz KORTWJRMMVDEBQ-GOSISDBHSA-N 2 0 327.582 3.010 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000192918665 153266703 /nfs/dbraw/zinc/26/67/03/153266703.db2.gz SKFMVNCUALOYIL-WCIQWLHISA-N 2 0 326.484 3.056 20 0 EGADRP Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000192925172 153268218 /nfs/dbraw/zinc/26/82/18/153268218.db2.gz SQBLZWRAIMWNBI-IBGZPJMESA-N 2 0 334.467 3.254 20 0 EGADRP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192933598 153269105 /nfs/dbraw/zinc/26/91/05/153269105.db2.gz NZJDGHQOEFRHND-IBGZPJMESA-N 2 0 337.467 3.257 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCC3(CC2)OCCO3)CN1Cc1ccccc1 ZINC000193158731 153281302 /nfs/dbraw/zinc/28/13/02/153281302.db2.gz AUISWZYTVULNSC-PXNSSMCTSA-N 2 0 344.499 3.172 20 0 EGADRP CCCC[N@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000303120792 154038930 /nfs/dbraw/zinc/03/89/30/154038930.db2.gz MJBLXRSIEPFILO-UHFFFAOYSA-N 2 0 349.544 3.296 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000341035401 155127202 /nfs/dbraw/zinc/12/72/02/155127202.db2.gz TWGZPMTWIWXXDQ-WIYYLYMNSA-N 2 0 338.495 3.253 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000346887384 156179349 /nfs/dbraw/zinc/17/93/49/156179349.db2.gz SRKPKDBXLIJOLK-QGZVFWFLSA-N 2 0 345.531 3.455 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000346994039 156235728 /nfs/dbraw/zinc/23/57/28/156235728.db2.gz BCRAAIIIMUCGNO-SFTDATJTSA-N 2 0 344.499 3.208 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c1)O[C@H](C)C2 ZINC000349131022 156363662 /nfs/dbraw/zinc/36/36/62/156363662.db2.gz PDJCVHDARDTVKV-WBVHZDCISA-N 2 0 344.499 3.182 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000372745743 157376008 /nfs/dbraw/zinc/37/60/08/157376008.db2.gz VNEFNMWZQRIKRJ-CRAIPNDOSA-N 2 0 335.923 3.202 20 0 EGADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028606 161904034 /nfs/dbraw/zinc/90/40/34/161904034.db2.gz JFLGAXQMSZEFQD-DLBZAZTESA-N 2 0 331.504 3.036 20 0 EGADRP C[C@H](CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000125335941 162269487 /nfs/dbraw/zinc/26/94/87/162269487.db2.gz ADWLGQBYXSXSNP-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000126295374 162299592 /nfs/dbraw/zinc/29/95/92/162299592.db2.gz LMRPAQATQVAEOO-UHFFFAOYSA-N 2 0 335.923 3.236 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000126488749 162304239 /nfs/dbraw/zinc/30/42/39/162304239.db2.gz XVAMGHSEPHSZAW-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000126493250 162305752 /nfs/dbraw/zinc/30/57/52/162305752.db2.gz GZOXZPIIWUFIFE-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000127235627 162327205 /nfs/dbraw/zinc/32/72/05/162327205.db2.gz MPICUUQHTRFYCR-BRWVUGGUSA-N 2 0 349.494 3.043 20 0 EGADRP COc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248438261 163005704 /nfs/dbraw/zinc/00/57/04/163005704.db2.gz HSBLBLUTRUDSLM-OXJNMPFZSA-N 2 0 340.467 3.113 20 0 EGADRP CC(C)[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ncc[nH]1 ZINC000338880711 163372666 /nfs/dbraw/zinc/37/26/66/163372666.db2.gz PCETVJUZLYDPSI-QGZVFWFLSA-N 2 0 335.411 3.097 20 0 EGADRP CCc1oc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C(=O)OC ZINC000338943226 163395821 /nfs/dbraw/zinc/39/58/21/163395821.db2.gz WDNPHKPRXLLNPU-OAHLLOKOSA-N 2 0 336.476 3.230 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000343643886 164002010 /nfs/dbraw/zinc/00/20/10/164002010.db2.gz APEVGLSAVUEXQL-YHYVQYDKSA-N 2 0 336.479 3.462 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CCN1C1CC[NH+](C)CC1 ZINC000343777246 164032934 /nfs/dbraw/zinc/03/29/34/164032934.db2.gz XWFAZHCGWOXBSN-INIZCTEOSA-N 2 0 327.472 3.033 20 0 EGADRP CN(CCC[N@H+](C)Cc1cc(Cl)cc2cccnc21)CC[NH+](C)C ZINC000344012433 164082444 /nfs/dbraw/zinc/08/24/44/164082444.db2.gz BZRXSDGSPIPPIK-UHFFFAOYSA-N 2 0 348.922 3.204 20 0 EGADRP CC[C@H](c1ccc(F)cc1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344019912 164084181 /nfs/dbraw/zinc/08/41/81/164084181.db2.gz AFWYLHOLQFZQGF-GOSISDBHSA-N 2 0 327.463 3.231 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1)CC[NH+](C)C ZINC000344021339 164084888 /nfs/dbraw/zinc/08/48/88/164084888.db2.gz GMKBWKHTLHRXFQ-UHFFFAOYSA-N 2 0 331.426 3.021 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000344173920 164119679 /nfs/dbraw/zinc/11/96/79/164119679.db2.gz PTUXMVGDHSUIDF-PMACEKPBSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000346551106 164395188 /nfs/dbraw/zinc/39/51/88/164395188.db2.gz GWEZKPZRHREMGE-NQIIRXRSSA-N 2 0 346.515 3.215 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(SC)cc1OC ZINC000350144955 165011624 /nfs/dbraw/zinc/01/16/24/165011624.db2.gz GEBXLHHUSHQCMV-UHFFFAOYSA-N 2 0 338.517 3.199 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 ZINC000352403979 165382791 /nfs/dbraw/zinc/38/27/91/165382791.db2.gz ZXWCQDFIBCDRLO-QGZVFWFLSA-N 2 0 342.487 3.463 20 0 EGADRP CSC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[NH+](C)CC1 ZINC000353219674 165679608 /nfs/dbraw/zinc/67/96/08/165679608.db2.gz BWFDGCPFKXIZAJ-UHFFFAOYSA-N 2 0 348.491 3.133 20 0 EGADRP COc1c[nH+]ccc1N1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000355648515 166271487 /nfs/dbraw/zinc/27/14/87/166271487.db2.gz IYUXWSPJJIQPJR-UHFFFAOYSA-N 2 0 340.402 3.033 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357061049 166574624 /nfs/dbraw/zinc/57/46/24/166574624.db2.gz ZDAPUDUKTNFVTR-HNNXBMFYSA-N 2 0 328.435 3.037 20 0 EGADRP COc1ccccc1[C@@H](CNc1cc[nH+]cc1C)[NH+]1CCCCC1 ZINC000358939640 167013233 /nfs/dbraw/zinc/01/32/33/167013233.db2.gz UVFNETZDSMNKAP-LJQANCHMSA-N 2 0 325.456 3.460 20 0 EGADRP CC1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000359144584 167079905 /nfs/dbraw/zinc/07/99/05/167079905.db2.gz TVIICIDTBUIIHD-TZIWHRDSSA-N 2 0 329.532 3.361 20 0 EGADRP COc1cccc(C[N@H+](CCC2CC[NH2+]CC2)C2CCC(O)CC2)c1 ZINC000359184559 167090742 /nfs/dbraw/zinc/09/07/42/167090742.db2.gz DAIZFDSZSOWLRA-UHFFFAOYSA-N 2 0 346.515 3.190 20 0 EGADRP CC[C@H](C)[N@H+](CCC1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000359199705 167093323 /nfs/dbraw/zinc/09/33/23/167093323.db2.gz DXRCUKJLULGJFZ-HNNXBMFYSA-N 2 0 342.487 3.326 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3csc(Cl)c3Cl)C2)CC1 ZINC000366782547 168140474 /nfs/dbraw/zinc/14/04/74/168140474.db2.gz WSJJUUWWORMWPB-GFCCVEGCSA-N 2 0 348.343 3.313 20 0 EGADRP Clc1c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000367401511 168220694 /nfs/dbraw/zinc/22/06/94/168220694.db2.gz ZPBVFLQQQQLOAU-ZWKOTPCHSA-N 2 0 344.890 3.301 20 0 EGADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000367552064 168240925 /nfs/dbraw/zinc/24/09/25/168240925.db2.gz MMVSJZZGSCBFME-AHJNKEMKSA-N 2 0 342.527 3.285 20 0 EGADRP Cc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)on1 ZINC000367600798 168248399 /nfs/dbraw/zinc/24/83/99/168248399.db2.gz ZWOCOZIZQFEECO-YZGWKJHDSA-N 2 0 325.456 3.026 20 0 EGADRP CCc1cc(NC[C@H](C)N2CC[NH+](CC)CC2)c2ccccc2[nH+]1 ZINC000123698038 222319379 /nfs/dbraw/zinc/31/93/79/222319379.db2.gz VSPZGGRDBYCHIX-INIZCTEOSA-N 2 0 326.488 3.235 20 0 EGADRP COc1ccc2oc(C[NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2c1 ZINC000179297456 265371030 /nfs/dbraw/zinc/37/10/30/265371030.db2.gz YJGPNDUAWZHNQL-HZPDHXFCSA-N 2 0 346.471 3.420 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000179426257 265376681 /nfs/dbraw/zinc/37/66/81/265376681.db2.gz RMWMNPGKCWVGLV-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000180497329 265403187 /nfs/dbraw/zinc/40/31/87/265403187.db2.gz YSXHLPNHCFVMEX-PKOBYXMFSA-N 2 0 335.561 3.029 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C[C@H](C)O1 ZINC000194268109 266103052 /nfs/dbraw/zinc/10/30/52/266103052.db2.gz AMDCTJAOUIVMGD-IRXDYDNUSA-N 2 0 342.487 3.056 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000229939977 266203231 /nfs/dbraw/zinc/20/32/31/266203231.db2.gz MWIOKYFVPHBZSM-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000236918618 266220481 /nfs/dbraw/zinc/22/04/81/266220481.db2.gz CCVGZINYENVHIV-PMACEKPBSA-N 2 0 345.531 3.442 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1OCOC ZINC000271236686 266627296 /nfs/dbraw/zinc/62/72/96/266627296.db2.gz SJGBJBCCQIHRSM-MRXNPFEDSA-N 2 0 338.492 3.278 20 0 EGADRP Cc1n[nH]cc1CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274897684 267303098 /nfs/dbraw/zinc/30/30/98/267303098.db2.gz KPLKCKOKJDVBST-UZLBHIALSA-N 2 0 326.488 3.151 20 0 EGADRP C[C@H]([NH2+]CC1(CCO)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274948777 267310611 /nfs/dbraw/zinc/31/06/11/267310611.db2.gz UUJJRKYXKSEKEL-AZUAARDMSA-N 2 0 330.516 3.429 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278499441 268026124 /nfs/dbraw/zinc/02/61/24/268026124.db2.gz NKELOMWGHFXIFJ-UHFFFAOYSA-N 2 0 328.435 3.180 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000278556860 268038554 /nfs/dbraw/zinc/03/85/54/268038554.db2.gz WGIUDQUNDWJOIR-PXNSSMCTSA-N 2 0 327.516 3.113 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000340585030 273870941 /nfs/dbraw/zinc/87/09/41/273870941.db2.gz XUOLTZIDKPQBSO-HNNXBMFYSA-N 2 0 329.271 3.027 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000111240914 275182960 /nfs/dbraw/zinc/18/29/60/275182960.db2.gz WICHRWKMJCGSHK-FQEVSTJZSA-N 2 0 348.531 3.158 20 0 EGADRP CC(C)[NH+]1CCN(CCCSCC[N@H+](C)Cc2ccccc2)CC1 ZINC000278708936 275267453 /nfs/dbraw/zinc/26/74/53/275267453.db2.gz RQPUSHFNMJTWND-UHFFFAOYSA-N 2 0 349.588 3.268 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000279121082 275305657 /nfs/dbraw/zinc/30/56/57/275305657.db2.gz VROKAOLHVUUWGA-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000280422041 275448912 /nfs/dbraw/zinc/44/89/12/275448912.db2.gz WXDFYLDUEWKTJG-IRXDYDNUSA-N 2 0 337.939 3.449 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)[C@H]2C1 ZINC000343949500 275472840 /nfs/dbraw/zinc/47/28/40/275472840.db2.gz YVVCEIWJPWCZIL-YYWHXJBOSA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282557269 275647220 /nfs/dbraw/zinc/64/72/20/275647220.db2.gz DDMPFKWJNMWVTC-SJORKVTESA-N 2 0 337.939 3.134 20 0 EGADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000282793832 275671632 /nfs/dbraw/zinc/67/16/32/275671632.db2.gz YRVCIECOAMOHNK-ZMYBRWDISA-N 2 0 336.907 3.238 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000262627552 275745267 /nfs/dbraw/zinc/74/52/67/275745267.db2.gz DRMZMICIXMKXCP-SFHVURJKSA-N 2 0 331.504 3.225 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000284368533 275795272 /nfs/dbraw/zinc/79/52/72/275795272.db2.gz ODXBTFQUPBQDTH-GCJKJVERSA-N 2 0 342.527 3.407 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284506615 275805925 /nfs/dbraw/zinc/80/59/25/275805925.db2.gz YAUJTVWJRAJDLW-RXVVDRJESA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCc3c(O)cccc32)C[C@@H](C)O1 ZINC000284858619 275831481 /nfs/dbraw/zinc/83/14/81/275831481.db2.gz ALDCTJTXITXUKA-GPMSIDNRSA-N 2 0 332.488 3.249 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCc4nn(C)cc43)CC2)CC1 ZINC000377096134 275935992 /nfs/dbraw/zinc/93/59/92/275935992.db2.gz XVCJPJYBFAKPEX-TVPLGVNVSA-N 2 0 330.520 3.430 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000121055268 276110815 /nfs/dbraw/zinc/11/08/15/276110815.db2.gz JKEFHODDQLLUOZ-IBGZPJMESA-N 2 0 326.488 3.429 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1F ZINC000288526166 276223837 /nfs/dbraw/zinc/22/38/37/276223837.db2.gz JXHYYKNGWXUXSS-UHFFFAOYSA-N 2 0 331.435 3.149 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289124354 276294081 /nfs/dbraw/zinc/29/40/81/276294081.db2.gz DPOVIBFFGZVRKW-HXUWFJFHSA-N 2 0 340.515 3.163 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289148651 276297027 /nfs/dbraw/zinc/29/70/27/276297027.db2.gz GDTGYRHKEPTZMJ-OXQOHEQNSA-N 2 0 341.499 3.372 20 0 EGADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc(OC)c1O ZINC000289319460 276321245 /nfs/dbraw/zinc/32/12/45/276321245.db2.gz SXCDGEJFMBSAQT-HNNXBMFYSA-N 2 0 336.476 3.011 20 0 EGADRP CC(C)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289467604 276343727 /nfs/dbraw/zinc/34/37/27/276343727.db2.gz PBIKYGCNHSPDKN-UHFFFAOYSA-N 2 0 329.532 3.269 20 0 EGADRP Cc1ccncc1CCC[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000289514744 276351018 /nfs/dbraw/zinc/35/10/18/276351018.db2.gz FQVWJSJVYLSNOK-UHFFFAOYSA-N 2 0 344.890 3.189 20 0 EGADRP COC1(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000289748987 276387645 /nfs/dbraw/zinc/38/76/45/276387645.db2.gz IATGAJZFEXEOEC-HXUWFJFHSA-N 2 0 346.515 3.074 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289796527 276396239 /nfs/dbraw/zinc/39/62/39/276396239.db2.gz QYWLQUBBLQGJDK-QGZVFWFLSA-N 2 0 329.492 3.176 20 0 EGADRP COc1cccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000290423714 276494050 /nfs/dbraw/zinc/49/40/50/276494050.db2.gz UWBXLOXNQVYWLB-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000177259951 279221962 /nfs/dbraw/zinc/22/19/62/279221962.db2.gz MBEOSKSRASDBHG-QGZVFWFLSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1)C(C)C ZINC000171454884 279235042 /nfs/dbraw/zinc/23/50/42/279235042.db2.gz KUJQQEAOPVNTDH-HXUWFJFHSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000186581235 279264078 /nfs/dbraw/zinc/26/40/78/279264078.db2.gz YWLWXYAUGXEISF-ZIAGYGMSSA-N 2 0 327.875 3.156 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000343579691 279353072 /nfs/dbraw/zinc/35/30/72/279353072.db2.gz DFPDEMIMGUMEHI-KRWDZBQOSA-N 2 0 331.504 3.017 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371317351 281306302 /nfs/dbraw/zinc/30/63/02/281306302.db2.gz PRAQMZLNWRODGE-FUHIMQAGSA-N 2 0 327.516 3.301 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CCCCCC[NH3+])c2ccccc2)CC1 ZINC000236720342 281833870 /nfs/dbraw/zinc/83/38/70/281833870.db2.gz VNVMEGATJVXIJT-FQEVSTJZSA-N 2 0 345.531 3.485 20 0 EGADRP C[NH+](C)CC1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000338542298 282074452 /nfs/dbraw/zinc/07/44/52/282074452.db2.gz YENHWUVWDLLPCY-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000247965387 290032915 /nfs/dbraw/zinc/03/29/15/290032915.db2.gz GSHHFJSQFQDGDL-JEDBISTDSA-N 2 0 332.488 3.091 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2([NH3+])CCCC2)C1 ZINC000237467241 297228357 /nfs/dbraw/zinc/22/83/57/297228357.db2.gz XOYRBTJHQNRQQY-IAGOWNOFSA-N 2 0 343.515 3.052 20 0 EGADRP O[C@H](C[NH2+]CC1CCC(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000347878676 304840816 /nfs/dbraw/zinc/84/08/16/304840816.db2.gz NMLIYOMYQXTHKV-DQVLVPHSSA-N 2 0 330.516 3.397 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(OC(F)F)c2)C[C@H](C)O1 ZINC000057969327 307347736 /nfs/dbraw/zinc/34/77/36/307347736.db2.gz IBTIPSCLEQVHDC-GASCZTMLSA-N 2 0 342.430 3.267 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)nc2)c1 ZINC000414069299 309059008 /nfs/dbraw/zinc/05/90/08/309059008.db2.gz JDLNZEBZKBTVAS-INIZCTEOSA-N 2 0 327.472 3.263 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070150 309059044 /nfs/dbraw/zinc/05/90/44/309059044.db2.gz SCZSJIYDYCRTLA-IEBWSBKVSA-N 2 0 335.923 3.203 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414083174 309059967 /nfs/dbraw/zinc/05/99/67/309059967.db2.gz VYVZEYUNNDKPKH-DLBZAZTESA-N 2 0 326.525 3.059 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000414168341 309064365 /nfs/dbraw/zinc/06/43/65/309064365.db2.gz ABXOLRRHJOXZKK-GDBMZVCRSA-N 2 0 345.466 3.097 20 0 EGADRP CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000414251505 309068860 /nfs/dbraw/zinc/06/88/60/309068860.db2.gz YICIKHBYHKIOSF-GUXCAODWSA-N 2 0 334.504 3.481 20 0 EGADRP CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000414251507 309068940 /nfs/dbraw/zinc/06/89/40/309068940.db2.gz YICIKHBYHKIOSF-YRNRMSPPSA-N 2 0 334.504 3.481 20 0 EGADRP CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414326921 309073141 /nfs/dbraw/zinc/07/31/41/309073141.db2.gz OBAYVGJDLKOSCV-IBGZPJMESA-N 2 0 343.515 3.052 20 0 EGADRP CCC[C@H](C)[C@H](CC)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163525324 307923099 /nfs/dbraw/zinc/92/30/99/307923099.db2.gz GHPXBMWLZNOJCM-WMZOPIPTSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000249086437 308018525 /nfs/dbraw/zinc/01/85/25/308018525.db2.gz FODRRLHCZBPWHE-BDTNDASRSA-N 2 0 343.559 3.259 20 0 EGADRP C[NH2+]CCC[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC000414857740 309105906 /nfs/dbraw/zinc/10/59/06/309105906.db2.gz FQVZGVNNSCLNBM-UHFFFAOYSA-N 2 0 330.428 3.195 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000293644102 308149056 /nfs/dbraw/zinc/14/90/56/308149056.db2.gz OGEXKLKBHXNGPK-QGZVFWFLSA-N 2 0 342.483 3.096 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2cnn(C)c2)c1 ZINC000293719292 308155721 /nfs/dbraw/zinc/15/57/21/308155721.db2.gz TWFLPDRDJKRWQK-OAQYLSRUSA-N 2 0 338.499 3.313 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927590 308174918 /nfs/dbraw/zinc/17/49/18/308174918.db2.gz YMYZDIBTMDKBAG-BHIYHBOVSA-N 2 0 340.467 3.415 20 0 EGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000294446225 308221473 /nfs/dbraw/zinc/22/14/73/308221473.db2.gz YBXGORNMMLBOQP-GHTZIAJQSA-N 2 0 338.495 3.477 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000295664167 308348560 /nfs/dbraw/zinc/34/85/60/308348560.db2.gz JPEJNZHWCDVPCE-OPYAIIAOSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656840 309094080 /nfs/dbraw/zinc/09/40/80/309094080.db2.gz GHGXFZLFJYELIA-HOTGVXAUSA-N 2 0 339.487 3.229 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000414696863 309096010 /nfs/dbraw/zinc/09/60/10/309096010.db2.gz QPNDBMZFTQJRIT-HIFRSBDPSA-N 2 0 325.294 3.312 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccncc2C)cc1 ZINC000296565759 308441561 /nfs/dbraw/zinc/44/15/61/308441561.db2.gz VPZRXJRXOARJTG-UHFFFAOYSA-N 2 0 327.472 3.400 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000414661427 309094309 /nfs/dbraw/zinc/09/43/09/309094309.db2.gz XBNUHFFTNDYECR-HXUWFJFHSA-N 2 0 342.462 3.284 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OCc1ccccc1 ZINC000414664874 309094315 /nfs/dbraw/zinc/09/43/15/309094315.db2.gz ULEBZAWSNZULCU-VQIMIIECSA-N 2 0 340.467 3.443 20 0 EGADRP CCCCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000414663165 309094399 /nfs/dbraw/zinc/09/43/99/309094399.db2.gz AXIFJHMOFCZWLX-KSZLIROESA-N 2 0 332.488 3.433 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000297111135 308500069 /nfs/dbraw/zinc/50/00/69/308500069.db2.gz JEPZZSWXXNXPPA-FQEVSTJZSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414738025 309098135 /nfs/dbraw/zinc/09/81/35/309098135.db2.gz AXLVZWAIOMQHCV-NXHRZFHOSA-N 2 0 326.488 3.197 20 0 EGADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414751107 309098837 /nfs/dbraw/zinc/09/88/37/309098837.db2.gz ZSPZFAVNIVRTMW-RCCFBDPRSA-N 2 0 331.504 3.422 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000414769475 309099625 /nfs/dbraw/zinc/09/96/25/309099625.db2.gz KGPXRORSWSTKPQ-OCCSQVGLSA-N 2 0 334.407 3.095 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775201 309100108 /nfs/dbraw/zinc/10/01/08/309100108.db2.gz GHMGZVALZGPIGI-CABCVRRESA-N 2 0 328.435 3.037 20 0 EGADRP Fc1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783654 309100852 /nfs/dbraw/zinc/10/08/52/309100852.db2.gz QHBADPHBHJEGOF-QWHCGFSZSA-N 2 0 341.268 3.410 20 0 EGADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414788287 309101239 /nfs/dbraw/zinc/10/12/39/309101239.db2.gz WNYQCLLYSRTDMZ-ZIAGYGMSSA-N 2 0 340.414 3.118 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC12CCOCC2 ZINC000414788763 309101270 /nfs/dbraw/zinc/10/12/70/309101270.db2.gz XGMGQKPUURRFPA-MRXNPFEDSA-N 2 0 345.874 3.076 20 0 EGADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000414788531 309101365 /nfs/dbraw/zinc/10/13/65/309101365.db2.gz WWVBAZMQCWGWOI-UONOGXRCSA-N 2 0 341.268 3.410 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CC12CCOCC2 ZINC000414792839 309101619 /nfs/dbraw/zinc/10/16/19/309101619.db2.gz SVUJVQUIZKIGHN-HNNXBMFYSA-N 2 0 344.430 3.273 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC2CC[NH+](C3CC3)CC2)CC1 ZINC000298345089 308605451 /nfs/dbraw/zinc/60/54/51/308605451.db2.gz JJTLQOXIMDLSKF-UHFFFAOYSA-N 2 0 327.516 3.176 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000414807401 309102948 /nfs/dbraw/zinc/10/29/48/309102948.db2.gz QYOCWQZJRYSMDL-GXTWGEPZSA-N 2 0 327.266 3.065 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000414830765 309104276 /nfs/dbraw/zinc/10/42/76/309104276.db2.gz CKIUBMMGBPBGBH-INIZCTEOSA-N 2 0 328.456 3.219 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000327632582 308771541 /nfs/dbraw/zinc/77/15/41/308771541.db2.gz ZMUJDJAPXRAEPM-AUUYWEPGSA-N 2 0 341.455 3.031 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000392673959 308902204 /nfs/dbraw/zinc/90/22/04/308902204.db2.gz OBRJHNNVYVFCTG-QFBILLFUSA-N 2 0 331.504 3.052 20 0 EGADRP CC(=O)NCC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411180959 308929769 /nfs/dbraw/zinc/92/97/69/308929769.db2.gz DAGRHBMMPWRLRA-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414849710 309105555 /nfs/dbraw/zinc/10/55/55/309105555.db2.gz YFNWWNBZRAULIH-DZGCQCFKSA-N 2 0 325.294 3.359 20 0 EGADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414883872 309107201 /nfs/dbraw/zinc/10/72/01/309107201.db2.gz DTTQNRHDZFRVMR-HOTGVXAUSA-N 2 0 325.294 3.487 20 0 EGADRP C[C@]1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000414903332 309108389 /nfs/dbraw/zinc/10/83/89/309108389.db2.gz IFYPFLIDYFQZQX-IBGZPJMESA-N 2 0 335.923 3.284 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000414987209 309112933 /nfs/dbraw/zinc/11/29/33/309112933.db2.gz IOMQOSYOXMQYKC-FFMGESDNSA-N 2 0 328.378 3.233 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414991307 309113022 /nfs/dbraw/zinc/11/30/22/309113022.db2.gz AYWUPVMQLUVTRV-IVMMDQJWSA-N 2 0 325.294 3.487 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000415004657 309113708 /nfs/dbraw/zinc/11/37/08/309113708.db2.gz YLZZKQGCSZISGF-ZVXXOIICSA-N 2 0 347.934 3.410 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000415006942 309113888 /nfs/dbraw/zinc/11/38/88/309113888.db2.gz KVSSKYKHRMJRTO-RZXSNQJFSA-N 2 0 327.516 3.017 20 0 EGADRP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000415006682 309113952 /nfs/dbraw/zinc/11/39/52/309113952.db2.gz KVSSKYKHRMJRTO-LRGNLBRXSA-N 2 0 327.516 3.017 20 0 EGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415014557 309114382 /nfs/dbraw/zinc/11/43/82/309114382.db2.gz MRPHMMSSNMVZMI-QWHCGFSZSA-N 2 0 341.883 3.173 20 0 EGADRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])cc(Br)c1OC ZINC000415019051 309114656 /nfs/dbraw/zinc/11/46/56/309114656.db2.gz VLXSCTZMBGLGDX-LLVKDONJSA-N 2 0 345.281 3.073 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(SC)cc1OC ZINC000415024631 309114964 /nfs/dbraw/zinc/11/49/64/309114964.db2.gz NUEQGAUUACKCJL-HDJSIYSDSA-N 2 0 338.517 3.280 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415027221 309115186 /nfs/dbraw/zinc/11/51/86/309115186.db2.gz WAZLVPWPWAYJIX-WKILWMFISA-N 2 0 330.451 3.175 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415040697 309116029 /nfs/dbraw/zinc/11/60/29/309116029.db2.gz PDNKKACTKGMNIF-WMZOPIPTSA-N 2 0 346.906 3.419 20 0 EGADRP COc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c(OC)c1OC ZINC000415045430 309116302 /nfs/dbraw/zinc/11/63/02/309116302.db2.gz BRCPQGHHOHZVQB-QGZVFWFLSA-N 2 0 344.455 3.282 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000415083382 309118975 /nfs/dbraw/zinc/11/89/75/309118975.db2.gz NGFHIRSSNQEMGR-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415083831 309119216 /nfs/dbraw/zinc/11/92/16/309119216.db2.gz FUMWOIHOQUPYED-SGMGOOAPSA-N 2 0 341.293 3.496 20 0 EGADRP C[C@H]1C[C@@H](C[NH2+]Cc2cccnc2Oc2cccc(F)c2)CC[NH2+]1 ZINC000415087320 309119257 /nfs/dbraw/zinc/11/92/57/309119257.db2.gz VZCUYLBSGCEDJM-GJZGRUSLSA-N 2 0 329.419 3.491 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415086260 309119415 /nfs/dbraw/zinc/11/94/15/309119415.db2.gz RXQREWHPUKLJPO-NDJJEOPTSA-N 2 0 346.515 3.419 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415111062 309120972 /nfs/dbraw/zinc/12/09/72/309120972.db2.gz BODMJGWROODXBL-XLIONFOSSA-N 2 0 326.488 3.332 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415116519 309121404 /nfs/dbraw/zinc/12/14/04/309121404.db2.gz BNVFKLLCGWJXIG-UIFIKXQLSA-N 2 0 330.516 3.474 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000415125053 309122186 /nfs/dbraw/zinc/12/21/86/309122186.db2.gz NMNMCPTZLDBFCB-YOEHRIQHSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Cl)c3F)CC2)C1 ZINC000415127799 309122336 /nfs/dbraw/zinc/12/23/36/309122336.db2.gz RKMXUPOYQRFACO-GOEBONIOSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OC(F)F)CC2)C1 ZINC000415129402 309122587 /nfs/dbraw/zinc/12/25/87/309122587.db2.gz USFVMFROTDUNQX-NVXWUHKLSA-N 2 0 340.414 3.006 20 0 EGADRP Clc1oc2ccccc2c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415134361 309123104 /nfs/dbraw/zinc/12/31/04/309123104.db2.gz DOKXWWOZEKJOAP-CVEARBPZSA-N 2 0 346.858 3.287 20 0 EGADRP C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000415583911 309137460 /nfs/dbraw/zinc/13/74/60/309137460.db2.gz WBWSTEHSTDFECK-AWEZNQCLSA-N 2 0 326.444 3.454 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)CC(C)C ZINC000415880830 309145658 /nfs/dbraw/zinc/14/56/58/309145658.db2.gz GVNNZYGYZSJKKU-IBGZPJMESA-N 2 0 346.519 3.210 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000415921016 309148665 /nfs/dbraw/zinc/14/86/65/309148665.db2.gz LJBHICWSLOQTKR-QGZVFWFLSA-N 2 0 332.492 3.038 20 0 EGADRP O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415995503 309153716 /nfs/dbraw/zinc/15/37/16/309153716.db2.gz KZJKMXAXCBXKDF-UHFFFAOYSA-N 2 0 330.476 3.068 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416211241 309164028 /nfs/dbraw/zinc/16/40/28/309164028.db2.gz ANTRAZIBZBZSCO-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP Cc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784331 309222017 /nfs/dbraw/zinc/22/20/17/309222017.db2.gz CEXJBXHTSNBFLF-PKOBYXMFSA-N 2 0 326.488 3.213 20 0 EGADRP Cc1c(Br)cccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420296649 309280025 /nfs/dbraw/zinc/28/00/25/309280025.db2.gz XKNQZGYZMXOKTK-UHFFFAOYSA-N 2 0 341.293 3.087 20 0 EGADRP CC[N@H+](CCOc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000420312083 309281166 /nfs/dbraw/zinc/28/11/66/309281166.db2.gz OFRIZESSHSCCBN-CQSZACIVSA-N 2 0 341.293 3.292 20 0 EGADRP COc1ccc(CC[N@H+](CC[C@@H]2CC[NH2+]C2)CC(C)C)cc1OC ZINC000420310891 309281242 /nfs/dbraw/zinc/28/12/42/309281242.db2.gz VIESOJSMMCHLJQ-SFHVURJKSA-N 2 0 334.504 3.204 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)CCC2)c1 ZINC000420316183 309281431 /nfs/dbraw/zinc/28/14/31/309281431.db2.gz LLJIWAPDFGLWBI-WMZOPIPTSA-N 2 0 332.488 3.051 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420316826 309281486 /nfs/dbraw/zinc/28/14/86/309281486.db2.gz YNXSJTSWIBBWOQ-NOLJZWGESA-N 2 0 344.480 3.247 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1F ZINC000420328747 309282616 /nfs/dbraw/zinc/28/26/16/309282616.db2.gz FONJFWHJOSOORA-BMFZPTHFSA-N 2 0 344.434 3.177 20 0 EGADRP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420345332 309283477 /nfs/dbraw/zinc/28/34/77/309283477.db2.gz VWJWWJOJZBZSJE-CABCVRRESA-N 2 0 346.862 3.212 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000420366350 309284411 /nfs/dbraw/zinc/28/44/11/309284411.db2.gz UDKPPVIUAAHYIF-IBGZPJMESA-N 2 0 325.456 3.012 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000420367627 309284574 /nfs/dbraw/zinc/28/45/74/309284574.db2.gz HGHKCPQKTMVBIN-CRAIPNDOSA-N 2 0 326.440 3.021 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420370254 309284836 /nfs/dbraw/zinc/28/48/36/309284836.db2.gz CLXFESKRDKUDPO-CTNGQTDRSA-N 2 0 346.515 3.291 20 0 EGADRP FC(F)Oc1cccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420376297 309284993 /nfs/dbraw/zinc/28/49/93/309284993.db2.gz QHDCZBUKTMYZRJ-YOEHRIQHSA-N 2 0 340.414 3.051 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374169 309285113 /nfs/dbraw/zinc/28/51/13/309285113.db2.gz NONRJNIAKYWLIN-FGZHOGPDSA-N 3 0 341.543 3.363 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000420410525 309286887 /nfs/dbraw/zinc/28/68/87/309286887.db2.gz XVWXDHZYMGOAQN-FPOVZHCZSA-N 2 0 338.499 3.453 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Cl ZINC000420411111 309286990 /nfs/dbraw/zinc/28/69/90/309286990.db2.gz YFPFLHINXMHTOF-RHSMWYFYSA-N 2 0 335.879 3.133 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CC(F)F)c2ccccc2)CC1 ZINC000420991841 309306333 /nfs/dbraw/zinc/30/63/33/309306333.db2.gz JSBWGRVADCSOFQ-GOSISDBHSA-N 2 0 339.474 3.389 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000422561448 309361637 /nfs/dbraw/zinc/36/16/37/309361637.db2.gz LGMLVVGSWUPQKJ-LMMKCTJWSA-N 2 0 339.483 3.466 20 0 EGADRP CC(C)C[C@@H](CNC(=O)NC(C)(C)CC[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422605163 309362429 /nfs/dbraw/zinc/36/24/29/309362429.db2.gz PMXREDSDGYIZGG-WMZOPIPTSA-N 2 0 348.535 3.179 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000422713261 309364298 /nfs/dbraw/zinc/36/42/98/309364298.db2.gz PNQYPIMGVHWQKQ-FHLIZLRMSA-N 2 0 336.907 3.364 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422715252 309364403 /nfs/dbraw/zinc/36/44/03/309364403.db2.gz SDGMARRYTAVHDO-HKUYNNGSSA-N 2 0 329.488 3.422 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422711799 309364530 /nfs/dbraw/zinc/36/45/30/309364530.db2.gz GIKUXJYCTXRZRI-OALUTQOASA-N 2 0 329.488 3.148 20 0 EGADRP Clc1cc(Cl)cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422716477 309364703 /nfs/dbraw/zinc/36/47/03/309364703.db2.gz NFIGLOMPOLWWQS-YESZJQIVSA-N 2 0 343.298 3.283 20 0 EGADRP CC[C@H](C(=O)Nc1ccccc1C[NH2+]C)[N@H+](C)Cc1ccccc1 ZINC000422729420 309365439 /nfs/dbraw/zinc/36/54/39/309365439.db2.gz BQTHLSVZUDMIKM-LJQANCHMSA-N 2 0 325.456 3.255 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)c1 ZINC000422736654 309365882 /nfs/dbraw/zinc/36/58/82/309365882.db2.gz YNFUDCHQOLLWIW-NJDAHSKKSA-N 2 0 338.499 3.332 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737676 309366139 /nfs/dbraw/zinc/36/61/39/309366139.db2.gz XQXQCNOFWKKYBH-YFVAEKQCSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422767575 309367344 /nfs/dbraw/zinc/36/73/44/309367344.db2.gz SWAOPDAJSUKSIE-NBHGPNQESA-N 2 0 341.474 3.343 20 0 EGADRP COc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])c2ccc(OC)cc2)cc1 ZINC000422774321 309367635 /nfs/dbraw/zinc/36/76/35/309367635.db2.gz WQHZPKRFPMTUSK-ACRUOGEOSA-N 2 0 340.467 3.457 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2cccs2)C2CC2)CC[NH2+]CC1 ZINC000422797561 309368942 /nfs/dbraw/zinc/36/89/42/309368942.db2.gz NIPBVXOJDSMOOQ-XJKSGUPXSA-N 2 0 336.501 3.110 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422799012 309369019 /nfs/dbraw/zinc/36/90/19/309369019.db2.gz URFPTUQAAIDFNA-ICSRJNTNSA-N 2 0 326.415 3.480 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC[NH2+]CC1 ZINC000422810237 309369520 /nfs/dbraw/zinc/36/95/20/309369520.db2.gz NBOUHQHHKGCHDI-LPHOPBHVSA-N 2 0 344.499 3.357 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422809376 309369606 /nfs/dbraw/zinc/36/96/06/309369606.db2.gz MDWJGBIRTBLMTE-IEBWSBKVSA-N 2 0 346.515 3.337 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422808199 309369652 /nfs/dbraw/zinc/36/96/52/309369652.db2.gz NTIHAYSAKFGBFW-MRXNPFEDSA-N 3 0 338.499 3.295 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000422812541 309369827 /nfs/dbraw/zinc/36/98/27/309369827.db2.gz QQNWAWFMEKFUHG-BJLQDIEVSA-N 2 0 330.472 3.037 20 0 EGADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccccc1Br ZINC000422836604 309371136 /nfs/dbraw/zinc/37/11/36/309371136.db2.gz KNQVLTIXNYXTOC-IYXRBSQSSA-N 2 0 341.293 3.324 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422845151 309371669 /nfs/dbraw/zinc/37/16/69/309371669.db2.gz NQQRIOKHHCOKDE-CQSZACIVSA-N 2 0 329.419 3.295 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422853627 309372155 /nfs/dbraw/zinc/37/21/55/309372155.db2.gz ZLAZQDPTHKAAKY-SLFFLAALSA-N 2 0 342.462 3.330 20 0 EGADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422855584 309372273 /nfs/dbraw/zinc/37/22/73/309372273.db2.gz CMXUVJFBNBFUCI-QHAWAJNXSA-N 2 0 346.515 3.011 20 0 EGADRP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(F)F ZINC000422861137 309372620 /nfs/dbraw/zinc/37/26/20/309372620.db2.gz MHIJHIKTQOGWCG-RAQOOLMWSA-N 2 0 326.387 3.230 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000422872997 309373000 /nfs/dbraw/zinc/37/30/00/309373000.db2.gz JKVCOJQBXBPLIK-SYNHAJSKSA-N 2 0 338.499 3.162 20 0 EGADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422892839 309374616 /nfs/dbraw/zinc/37/46/16/309374616.db2.gz NXUKYVRQWHCUPE-KCUHQSDYSA-N 2 0 343.515 3.225 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000422901509 309375220 /nfs/dbraw/zinc/37/52/20/309375220.db2.gz LDTMGHNLBSCZOF-IPELMVKDSA-N 2 0 334.479 3.370 20 0 EGADRP CC[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422932801 309376779 /nfs/dbraw/zinc/37/67/79/309376779.db2.gz GVZPHPHTYDDLHX-CABCVRRESA-N 2 0 329.257 3.251 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422909441 309375736 /nfs/dbraw/zinc/37/57/36/309375736.db2.gz OAZUHBHXFYASIS-HEHGZKQESA-N 2 0 327.875 3.159 20 0 EGADRP C(CC12CC3CC(CC(C3)C1)C2)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422930827 309376626 /nfs/dbraw/zinc/37/66/26/309376626.db2.gz WDTPTDWKKCOPJZ-CKJVAYHXSA-N 2 0 332.532 3.340 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932647 309376710 /nfs/dbraw/zinc/37/67/10/309376710.db2.gz GEULYKLTDNGHEL-VDGAXYAQSA-N 2 0 340.467 3.074 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422939013 309377198 /nfs/dbraw/zinc/37/71/98/309377198.db2.gz FKCFHMPEGGQBTJ-JOYOIKCWSA-N 2 0 349.219 3.268 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422946900 309377533 /nfs/dbraw/zinc/37/75/33/309377533.db2.gz PREQXFMFDFIPRP-IUCAKERBSA-N 2 0 337.208 3.266 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422949920 309377657 /nfs/dbraw/zinc/37/76/57/309377657.db2.gz UYFVYGUMVJKVMJ-GOEBONIOSA-N 2 0 344.528 3.372 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422956586 309378122 /nfs/dbraw/zinc/37/81/22/309378122.db2.gz LMUAWBXTHXMFEY-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP CC[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@@H]1CCC[NH2+]1 ZINC000422957181 309378155 /nfs/dbraw/zinc/37/81/55/309378155.db2.gz SIRPQHMWFNQZKZ-CVEARBPZSA-N 2 0 330.501 3.258 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422962928 309378508 /nfs/dbraw/zinc/37/85/08/309378508.db2.gz HBRSMDQZNUEUOZ-YLJYHZDGSA-N 2 0 326.488 3.220 20 0 EGADRP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422974251 309379209 /nfs/dbraw/zinc/37/92/09/309379209.db2.gz QQCSBQOKCXRFKT-IPMKNSEASA-N 2 0 329.488 3.413 20 0 EGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C3C[NH2+]C3)s2)cc1 ZINC000422982510 309379515 /nfs/dbraw/zinc/37/95/15/309379515.db2.gz QYAGMRXIQIJCAA-NEPJUHHUSA-N 2 0 331.485 3.386 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000423000553 309380237 /nfs/dbraw/zinc/38/02/37/309380237.db2.gz VMOIRVDGSZEXJW-MLIBWOCISA-N 2 0 344.499 3.184 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423014645 309380995 /nfs/dbraw/zinc/38/09/95/309380995.db2.gz PKAQKDFULYVZPT-OALUTQOASA-N 2 0 326.440 3.371 20 0 EGADRP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000423015521 309381128 /nfs/dbraw/zinc/38/11/28/309381128.db2.gz RIOHYPZYUFGHQP-VQTJNVASSA-N 2 0 326.440 3.499 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423019354 309381283 /nfs/dbraw/zinc/38/12/83/309381283.db2.gz VJQZAWSYRKMKTP-ASHKBJFXSA-N 2 0 329.282 3.241 20 0 EGADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022484 309381502 /nfs/dbraw/zinc/38/15/02/309381502.db2.gz HTBKJNOQPHJDDH-KYABYICQSA-N 2 0 339.886 3.202 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423030159 309381695 /nfs/dbraw/zinc/38/16/95/309381695.db2.gz JGNFFNNRHXOZPW-HNNXBMFYSA-N 2 0 341.293 3.122 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423030160 309382044 /nfs/dbraw/zinc/38/20/44/309382044.db2.gz JGNFFNNRHXOZPW-OAHLLOKOSA-N 2 0 341.293 3.122 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423042376 309382627 /nfs/dbraw/zinc/38/26/27/309382627.db2.gz KWJBMSIRLORWFZ-OGHNNQOOSA-N 2 0 325.859 3.165 20 0 EGADRP Fc1ccc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423049910 309382943 /nfs/dbraw/zinc/38/29/43/309382943.db2.gz KHHHXARFYCZOHM-ZYSHUDEJSA-N 2 0 338.442 3.034 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423049667 309383010 /nfs/dbraw/zinc/38/30/10/309383010.db2.gz KELYIDBKAHRKOV-LMNJBCLMSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423047491 309383095 /nfs/dbraw/zinc/38/30/95/309383095.db2.gz HESLUCRRUNZTCX-SLEUVZQESA-N 2 0 328.859 3.099 20 0 EGADRP C[C@@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423054494 309383293 /nfs/dbraw/zinc/38/32/93/309383293.db2.gz UUQGXYCFAWDHHJ-KCXAZCMYSA-N 2 0 329.410 3.038 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423058990 309383571 /nfs/dbraw/zinc/38/35/71/309383571.db2.gz DQKVXASBHWFNLN-UONOGXRCSA-N 2 0 329.410 3.391 20 0 EGADRP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423070241 309384319 /nfs/dbraw/zinc/38/43/19/309384319.db2.gz FUPKWAMOQVUBGL-XDWAVFMPSA-N 2 0 328.500 3.460 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423084511 309385109 /nfs/dbraw/zinc/38/51/09/309385109.db2.gz IDWSEIJKMHHWOC-CVEARBPZSA-N 2 0 326.488 3.085 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000423089084 309385377 /nfs/dbraw/zinc/38/53/77/309385377.db2.gz RPADAEHCHYWSRU-MRXNPFEDSA-N 2 0 342.487 3.023 20 0 EGADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423092470 309385660 /nfs/dbraw/zinc/38/56/60/309385660.db2.gz BZJJLVNVPXTGMR-IBMXSDLOSA-N 2 0 332.463 3.209 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423121820 309387019 /nfs/dbraw/zinc/38/70/19/309387019.db2.gz JCGLVUHCRNCTKJ-UXPWSPDFSA-N 2 0 333.520 3.197 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423125902 309387173 /nfs/dbraw/zinc/38/71/73/309387173.db2.gz IKFHDJHOUTXZGA-QFBILLFUSA-N 2 0 344.499 3.091 20 0 EGADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423127981 309387182 /nfs/dbraw/zinc/38/71/82/309387182.db2.gz CREOETJZRUBKAR-OAGGEKHMSA-N 2 0 327.394 3.153 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000423131953 309387667 /nfs/dbraw/zinc/38/76/67/309387667.db2.gz UDYHXHLBVKFREE-AHRSYUTCSA-N 2 0 333.520 3.054 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000423137046 309387838 /nfs/dbraw/zinc/38/78/38/309387838.db2.gz VZHXSOIKKLAZMW-WHWRDJHUSA-N 2 0 331.485 3.263 20 0 EGADRP COCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000423141472 309388050 /nfs/dbraw/zinc/38/80/50/309388050.db2.gz QGEZUCILVQQGNH-GHTZIAJQSA-N 2 0 344.499 3.429 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423142467 309388117 /nfs/dbraw/zinc/38/81/17/309388117.db2.gz VHMDVKIBJUEDPK-XKGZKEIXSA-N 2 0 341.474 3.200 20 0 EGADRP CC(C)OCCOC1CC[NH+]([C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423152017 309388615 /nfs/dbraw/zinc/38/86/15/309388615.db2.gz FDLOEUJBRNGVPB-QZTJIDSGSA-N 2 0 326.525 3.203 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423160043 309388688 /nfs/dbraw/zinc/38/86/88/309388688.db2.gz QIMODZCSWDYPPF-LLVKDONJSA-N 2 0 337.826 3.371 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c(Br)c1 ZINC000423205758 309390237 /nfs/dbraw/zinc/39/02/37/309390237.db2.gz BJAGUIQDMIFVKG-UNXYVOJBSA-N 2 0 327.266 3.378 20 0 EGADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423222686 309391146 /nfs/dbraw/zinc/39/11/46/309391146.db2.gz CCFZDWGZJRSYPO-HOTGVXAUSA-N 2 0 338.455 3.301 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423260141 309392780 /nfs/dbraw/zinc/39/27/80/309392780.db2.gz PPWOYXNZGKWSEQ-UVUJQTEASA-N 3 0 341.543 3.266 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423278765 309393711 /nfs/dbraw/zinc/39/37/11/309393711.db2.gz RMFXTWVIGXPMTJ-QWHCGFSZSA-N 2 0 343.284 3.499 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H](NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000423282058 309394031 /nfs/dbraw/zinc/39/40/31/309394031.db2.gz URWRVFFMXFZPDE-AZUAARDMSA-N 2 0 339.568 3.025 20 0 EGADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000423300732 309394388 /nfs/dbraw/zinc/39/43/88/309394388.db2.gz FEWXVZOIVVNJPW-YHINDDMVSA-N 2 0 340.511 3.426 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)CCC2 ZINC000423321052 309395118 /nfs/dbraw/zinc/39/51/18/309395118.db2.gz FXNOBTCZXBPVTQ-AWEZNQCLSA-N 2 0 334.460 3.121 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423330986 309395503 /nfs/dbraw/zinc/39/55/03/309395503.db2.gz OAPJKDATFNOWNT-ZHALLVOQSA-N 2 0 337.552 3.158 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000423332116 309395600 /nfs/dbraw/zinc/39/56/00/309395600.db2.gz OXEIJJUHUVQTTJ-LBPRGKRZSA-N 2 0 326.868 3.398 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423337648 309395990 /nfs/dbraw/zinc/39/59/90/309395990.db2.gz RGEJMFWKIXUPRX-HLIPFELVSA-N 2 0 345.531 3.154 20 0 EGADRP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H](C)[NH3+] ZINC000423352820 309396615 /nfs/dbraw/zinc/39/66/15/309396615.db2.gz BYLCVZWESSDUSN-XLIONFOSSA-N 2 0 345.531 3.154 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423368994 309397328 /nfs/dbraw/zinc/39/73/28/309397328.db2.gz DQRZDPAUTCLJOB-IBGZPJMESA-N 2 0 340.467 3.418 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(OCC[NH+](C)C)c1 ZINC000423369522 309397474 /nfs/dbraw/zinc/39/74/74/309397474.db2.gz FAGOKUKFLMQFFF-INIZCTEOSA-N 3 0 339.483 3.081 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000423382028 309397922 /nfs/dbraw/zinc/39/79/22/309397922.db2.gz JRSUXWLBLNBLJL-JRPNMDOOSA-N 2 0 327.241 3.435 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423381702 309398043 /nfs/dbraw/zinc/39/80/43/309398043.db2.gz OLWQYPDAZFDBLQ-RLFYNMQTSA-N 2 0 332.492 3.351 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)CC[NH2+]CC1 ZINC000423407837 309398907 /nfs/dbraw/zinc/39/89/07/309398907.db2.gz NKSYMNOEABHAEP-HNNXBMFYSA-N 2 0 345.512 3.477 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423434998 309400304 /nfs/dbraw/zinc/40/03/04/309400304.db2.gz LCFBIPHTMLWOTJ-FZKQIMNGSA-N 2 0 340.471 3.384 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000423492517 309402912 /nfs/dbraw/zinc/40/29/12/309402912.db2.gz NILXDZDMOCDVSL-LOWVWBTDSA-N 2 0 327.266 3.236 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000423610485 309407622 /nfs/dbraw/zinc/40/76/22/309407622.db2.gz MLTRNEMNVMGPSH-SCLBCKFNSA-N 2 0 343.858 3.146 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000423740085 309411149 /nfs/dbraw/zinc/41/11/49/309411149.db2.gz IJWBAJRFGPBLEZ-AABGKKOBSA-N 2 0 343.515 3.017 20 0 EGADRP Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423765955 309411936 /nfs/dbraw/zinc/41/19/36/309411936.db2.gz ZYIBOTKFICEAFN-OAQYLSRUSA-N 2 0 345.531 3.354 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)CC1CCCCC1 ZINC000424137616 309430378 /nfs/dbraw/zinc/43/03/78/309430378.db2.gz BBPRVWQNNAOMRX-RBUKOAKNSA-N 2 0 335.536 3.055 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000424195521 309432651 /nfs/dbraw/zinc/43/26/51/309432651.db2.gz TUJXIEYOHWBYIA-FQEVSTJZSA-N 2 0 345.531 3.442 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000424429644 309443454 /nfs/dbraw/zinc/44/34/54/309443454.db2.gz XFZMFZPKPCZMHP-SFHVURJKSA-N 2 0 332.492 3.086 20 0 EGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000430581487 309611885 /nfs/dbraw/zinc/61/18/85/309611885.db2.gz JGBYYXIKQBSGMU-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000430724340 309616230 /nfs/dbraw/zinc/61/62/30/309616230.db2.gz VEKCQYJMPDLHIW-YVWKXTFCSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000430927001 309621190 /nfs/dbraw/zinc/62/11/90/309621190.db2.gz HKHNRRRDKNWQTL-UHFFFAOYSA-N 2 0 334.467 3.433 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000430944729 309621792 /nfs/dbraw/zinc/62/17/92/309621792.db2.gz URGCNEUHKIXFLH-GJYPPUQNSA-N 2 0 331.504 3.092 20 0 EGADRP CCOc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1OC(F)F ZINC000430960847 309622236 /nfs/dbraw/zinc/62/22/36/309622236.db2.gz AFIDERWCVMXFGQ-UHFFFAOYSA-N 2 0 340.414 3.262 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000432837826 309670478 /nfs/dbraw/zinc/67/04/78/309670478.db2.gz WOCVCPZFJVHXDZ-ROUUACIJSA-N 2 0 338.536 3.014 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+](CC)CC ZINC000434665968 309716957 /nfs/dbraw/zinc/71/69/57/309716957.db2.gz QHPJAROCXAIREN-MOPGFXCFSA-N 2 0 327.472 3.076 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000446886451 309970325 /nfs/dbraw/zinc/97/03/25/309970325.db2.gz GQAFWAHKINAVLU-UTKZUKDTSA-N 3 0 333.564 3.494 20 0 EGADRP c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n(C2CCCC2)n1 ZINC000449031456 310031186 /nfs/dbraw/zinc/03/11/86/310031186.db2.gz VLXFHGSRKHIASX-UHFFFAOYSA-N 2 0 346.519 3.075 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCC[C@H]1C ZINC000449082475 310035632 /nfs/dbraw/zinc/03/56/32/310035632.db2.gz NOLKVSAPXALYJH-ZHALLVOQSA-N 2 0 330.520 3.138 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449116145 310038111 /nfs/dbraw/zinc/03/81/11/310038111.db2.gz OPTOARZXDHWXDX-GOSISDBHSA-N 2 0 333.520 3.121 20 0 EGADRP COc1cc2ccccc2cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000449147126 310040333 /nfs/dbraw/zinc/04/03/33/310040333.db2.gz FLQMDKXXCLPCQK-HXUWFJFHSA-N 2 0 342.483 3.175 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCC1 ZINC000449226900 310045967 /nfs/dbraw/zinc/04/59/67/310045967.db2.gz SGSHNOGBSMKGHQ-IBGZPJMESA-N 2 0 331.504 3.036 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000449235099 310046772 /nfs/dbraw/zinc/04/67/72/310046772.db2.gz SURYASBAEUJSQN-OPYAIIAOSA-N 2 0 329.532 3.154 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000449273508 310049333 /nfs/dbraw/zinc/04/93/33/310049333.db2.gz YXWHQSIOFCVAIJ-UMSONDCASA-N 2 0 328.500 3.239 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000449273503 310049400 /nfs/dbraw/zinc/04/94/00/310049400.db2.gz YXWHQSIOFCVAIJ-OTNPHJDUSA-N 2 0 328.500 3.239 20 0 EGADRP CC[C@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000449480531 310065688 /nfs/dbraw/zinc/06/56/88/310065688.db2.gz YMSQFPUWEKISAY-HXUWFJFHSA-N 2 0 333.520 3.122 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000449527425 310069339 /nfs/dbraw/zinc/06/93/39/310069339.db2.gz IEYCSJUJJAAYBL-UHFFFAOYSA-N 2 0 328.460 3.479 20 0 EGADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449714818 310082217 /nfs/dbraw/zinc/08/22/17/310082217.db2.gz AEMLWOVEJCYMOM-GBESFXJTSA-N 2 0 330.516 3.284 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000449748710 310084016 /nfs/dbraw/zinc/08/40/16/310084016.db2.gz CGEILVXAZKYMQV-UHFFFAOYSA-N 2 0 343.437 3.211 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000451144441 310162558 /nfs/dbraw/zinc/16/25/58/310162558.db2.gz IVKNAYPCYUMPGY-BBWFWOEESA-N 2 0 349.485 3.454 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NCC[NH+]3CCCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453074404 310256182 /nfs/dbraw/zinc/25/61/82/310256182.db2.gz GHJMKKPMCFWYSI-ACRUOGEOSA-N 2 0 327.516 3.115 20 0 EGADRP COCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453095495 310257564 /nfs/dbraw/zinc/25/75/64/310257564.db2.gz SQDWEIFCTHJONS-HBMCJLEFSA-N 2 0 346.515 3.072 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453183616 310262927 /nfs/dbraw/zinc/26/29/27/310262927.db2.gz UTMXGPKBNVQXHE-BHDDXSALSA-N 3 0 339.527 3.281 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453212280 310264399 /nfs/dbraw/zinc/26/43/99/310264399.db2.gz OBUGFICKXOEZPT-LUYSREMJSA-N 2 0 328.500 3.180 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2F)[C@@H](C)C1 ZINC000453340904 310271990 /nfs/dbraw/zinc/27/19/90/310271990.db2.gz HFEVQMDCCHVUSM-FXAWDEMLSA-N 2 0 336.495 3.403 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+]4CCC[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000453384674 310274160 /nfs/dbraw/zinc/27/41/60/310274160.db2.gz TWMMNHQECCHNED-CMOCDZPBSA-N 2 0 340.511 3.400 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(N2CCOCC2)c1 ZINC000453409434 310275545 /nfs/dbraw/zinc/27/55/45/310275545.db2.gz UFFVRRILTVPRIM-KRWDZBQOSA-N 2 0 331.504 3.048 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000453424028 310276389 /nfs/dbraw/zinc/27/63/89/310276389.db2.gz MXHOEUKEWFZXHL-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454263265 310300110 /nfs/dbraw/zinc/30/01/10/310300110.db2.gz KGNWUDMZMADUEB-DLBZAZTESA-N 2 0 349.523 3.020 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455836884 310378866 /nfs/dbraw/zinc/37/88/66/310378866.db2.gz BDTRUPCVLUYGQY-HNAYVOBHSA-N 2 0 346.519 3.477 20 0 EGADRP CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1C ZINC000455870261 310380400 /nfs/dbraw/zinc/38/04/00/310380400.db2.gz XADKCNLZPLTBHV-RBUKOAKNSA-N 2 0 344.503 3.039 20 0 EGADRP c1ccc(N2CCC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000459413056 310550899 /nfs/dbraw/zinc/55/08/99/310550899.db2.gz NWXXLTTUSGDYIC-IBGZPJMESA-N 2 0 336.483 3.309 20 0 EGADRP Clc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000459455297 310553855 /nfs/dbraw/zinc/55/38/55/310553855.db2.gz YXHYQZRRTDBNIR-KRWDZBQOSA-N 2 0 329.831 3.427 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CCc3cccc(Cl)c3)CC2)CC1 ZINC000459488117 310556018 /nfs/dbraw/zinc/55/60/18/310556018.db2.gz SFRSNYHXZNKPCC-UHFFFAOYSA-N 2 0 349.950 3.232 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000463026137 310608408 /nfs/dbraw/zinc/60/84/08/310608408.db2.gz ZBQWQMBJRQIBGQ-MOPGFXCFSA-N 2 0 334.504 3.309 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477915593 310851746 /nfs/dbraw/zinc/85/17/46/310851746.db2.gz LDXTWQMKFRUMMX-GOSISDBHSA-N 3 0 347.547 3.400 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2CCSC2)C[C@H](C)O1 ZINC000486974986 311005290 /nfs/dbraw/zinc/00/52/90/311005290.db2.gz XMDVFVWLLUGCJY-IXDOHACOSA-N 2 0 334.529 3.139 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000487430369 311023181 /nfs/dbraw/zinc/02/31/81/311023181.db2.gz LOOCLOFVYIBWKQ-LQWHRVPQSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000488414815 311064596 /nfs/dbraw/zinc/06/45/96/311064596.db2.gz FOOGOFJWXMEJHZ-IEBWSBKVSA-N 2 0 336.545 3.289 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000492769105 311288831 /nfs/dbraw/zinc/28/88/31/311288831.db2.gz LZFLGOZDOZZTPK-WBVHZDCISA-N 2 0 337.508 3.016 20 0 EGADRP C[NH+](C)C/C=C/C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000493090443 311326184 /nfs/dbraw/zinc/32/61/84/311326184.db2.gz FNMUEEJOZWILSM-VOTSOKGWSA-N 2 0 347.528 3.321 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496499422 311721717 /nfs/dbraw/zinc/72/17/17/311721717.db2.gz KSPXMYYRAJGQMK-IRXDYDNUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000496744307 311758401 /nfs/dbraw/zinc/75/84/01/311758401.db2.gz XARQYUMYDDBSEO-ORBLRFAASA-N 2 0 339.524 3.237 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000506471533 312049648 /nfs/dbraw/zinc/04/96/48/312049648.db2.gz CWXKNZSDWAUGJW-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000512610501 312190091 /nfs/dbraw/zinc/19/00/91/312190091.db2.gz BTISEBFAJWHLPZ-PLACYPQZSA-N 2 0 328.500 3.446 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000512692581 312192439 /nfs/dbraw/zinc/19/24/39/312192439.db2.gz FVXVOBVGAFHPFH-BGYRXZFFSA-N 2 0 329.532 3.294 20 0 EGADRP CCOc1cc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc(Cl)c1O ZINC000515608623 312291258 /nfs/dbraw/zinc/29/12/58/312291258.db2.gz HYZMRVDPBKPFPL-CYBMUJFWSA-N 2 0 326.868 3.264 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc12 ZINC000516878633 312347907 /nfs/dbraw/zinc/34/79/07/312347907.db2.gz QQHGTCLYWBNNMK-PBHICJAKSA-N 2 0 341.503 3.019 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000517444932 312379536 /nfs/dbraw/zinc/37/95/36/312379536.db2.gz DRNILKWSHMLLOE-AZUAARDMSA-N 2 0 345.531 3.230 20 0 EGADRP CCc1nccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375711 313076914 /nfs/dbraw/zinc/07/69/14/313076914.db2.gz CSFUOTIRDNMGIC-MSOLQXFVSA-N 2 0 344.503 3.016 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528392584 313082242 /nfs/dbraw/zinc/08/22/42/313082242.db2.gz ULKOZKHIFXQSGY-UYAOXDASSA-N 2 0 334.479 3.191 20 0 EGADRP CC[NH+]1CCC(C[NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530232380 313502244 /nfs/dbraw/zinc/50/22/44/313502244.db2.gz ZHBGVRZEHVTOFP-UHFFFAOYSA-N 2 0 330.516 3.397 20 0 EGADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000537305682 314173847 /nfs/dbraw/zinc/17/38/47/314173847.db2.gz GDCJXTVJLAABLZ-LVFSCSRESA-N 2 0 334.504 3.337 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000538696850 314266179 /nfs/dbraw/zinc/26/61/79/314266179.db2.gz XDUNRVOEOHGQCR-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000538749968 314272545 /nfs/dbraw/zinc/27/25/45/314272545.db2.gz QOHOPFLDQRESAY-GOSISDBHSA-N 2 0 327.516 3.449 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000540139885 314364552 /nfs/dbraw/zinc/36/45/52/314364552.db2.gz GZXFGPRZMZOXNC-ZIFCJYIRSA-N 2 0 326.488 3.371 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000540464148 314382703 /nfs/dbraw/zinc/38/27/03/314382703.db2.gz PJLFKPCCRFGQGH-OXQOHEQNSA-N 2 0 333.520 3.435 20 0 EGADRP CCC[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000540520175 314386475 /nfs/dbraw/zinc/38/64/75/314386475.db2.gz OGOLDVWBGJMKCY-NHCUHLMSSA-N 2 0 329.532 3.457 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000547431045 314901309 /nfs/dbraw/zinc/90/13/09/314901309.db2.gz CKSNTRXVTYYVMW-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)C[NH+](C)C ZINC000550218629 315120913 /nfs/dbraw/zinc/12/09/13/315120913.db2.gz ULGDSPDLGCXAAP-TZMCWYRMSA-N 2 0 325.294 3.094 20 0 EGADRP COc1ccc2nc(CN3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)sc2c1 ZINC000554886447 315354681 /nfs/dbraw/zinc/35/46/81/315354681.db2.gz KUZFECNSXKCKRW-CJNGLKHVSA-N 2 0 331.485 3.221 20 0 EGADRP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCC[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000555022876 315362203 /nfs/dbraw/zinc/36/22/03/315362203.db2.gz RQEGLBIEZIIEIT-QGFMHUBQSA-N 2 0 326.525 3.155 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)C(C)C)CC1 ZINC000555341891 315380059 /nfs/dbraw/zinc/38/00/59/315380059.db2.gz QZGCFQWWLMOWIL-SFHVURJKSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCCC[NH+](C)C ZINC000560601433 315711895 /nfs/dbraw/zinc/71/18/95/315711895.db2.gz CEJKIVVSVHQRJO-UHFFFAOYSA-N 2 0 349.544 3.214 20 0 EGADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000563510554 316030563 /nfs/dbraw/zinc/03/05/63/316030563.db2.gz OCFHHMDOQBBRND-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000563842196 316077618 /nfs/dbraw/zinc/07/76/18/316077618.db2.gz OJXJKTYWVJWMJE-HBMCJLEFSA-N 2 0 330.516 3.237 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000564563713 316167759 /nfs/dbraw/zinc/16/77/59/316167759.db2.gz IBBYHHGBFXVBEW-OAHLLOKOSA-N 2 0 335.467 3.174 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)C1 ZINC000564584469 316170829 /nfs/dbraw/zinc/17/08/29/316170829.db2.gz FWSCOUYSTFIIOY-MGPQQGTHSA-N 2 0 327.394 3.144 20 0 EGADRP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564586902 316171553 /nfs/dbraw/zinc/17/15/53/316171553.db2.gz ZAMUOKXTDNDIOZ-LJQANCHMSA-N 2 0 337.467 3.209 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000564970014 316239603 /nfs/dbraw/zinc/23/96/03/316239603.db2.gz HIDLXWMOQYSDTC-XEZPLFJOSA-N 2 0 326.868 3.113 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000564973851 316240209 /nfs/dbraw/zinc/24/02/09/316240209.db2.gz YGECAKDVUFXTFA-WDEREUQCSA-N 2 0 326.366 3.311 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000565115512 316269037 /nfs/dbraw/zinc/26/90/37/316269037.db2.gz IANOCHNLXCEROC-ZSXPUABSSA-N 2 0 329.532 3.184 20 0 EGADRP CSC1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CC[NH+](C)CC1 ZINC000567088044 316567114 /nfs/dbraw/zinc/56/71/14/316567114.db2.gz TZCXPNHLKHFHHA-UHFFFAOYSA-N 2 0 342.512 3.061 20 0 EGADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000567639130 316647794 /nfs/dbraw/zinc/64/77/94/316647794.db2.gz XXCCEOGTUHYPPM-LBPRGKRZSA-N 2 0 331.382 3.012 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000569090929 316864600 /nfs/dbraw/zinc/86/46/00/316864600.db2.gz UGHHWZYBESVRFI-QUCCMNQESA-N 2 0 343.446 3.092 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000570154790 317015017 /nfs/dbraw/zinc/01/50/17/317015017.db2.gz AHIDGXJKGFFTIW-UHFFFAOYSA-N 2 0 335.467 3.174 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295746 317036332 /nfs/dbraw/zinc/03/63/32/317036332.db2.gz MAPNZNMZULWZCW-HZPDHXFCSA-N 2 0 344.503 3.146 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)Cc3ccc(F)cc3)CC2)C1 ZINC000570312371 317038313 /nfs/dbraw/zinc/03/83/13/317038313.db2.gz OZDVYYLVZTZENG-CZAAIQMYSA-N 2 0 348.506 3.362 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000570475292 317061634 /nfs/dbraw/zinc/06/16/34/317061634.db2.gz DCXQUUOFIIRGBV-HPFXQQBRSA-N 2 0 349.494 3.184 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000570918498 317126207 /nfs/dbraw/zinc/12/62/07/317126207.db2.gz RWNALQBVYQTBFL-AABGKKOBSA-N 2 0 345.531 3.472 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000570941786 317130875 /nfs/dbraw/zinc/13/08/75/317130875.db2.gz LALCZKGQWWYHAL-CVEARBPZSA-N 2 0 326.488 3.357 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000571073287 317147589 /nfs/dbraw/zinc/14/75/89/317147589.db2.gz PASBOMSORWIEGA-ORAYPTAESA-N 2 0 346.906 3.456 20 0 EGADRP COC(=O)[C@@H](CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000571160755 317159534 /nfs/dbraw/zinc/15/95/34/317159534.db2.gz WGWUWCPNHXCGQJ-FQEVSTJZSA-N 2 0 346.515 3.386 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000571642732 317227557 /nfs/dbraw/zinc/22/75/57/317227557.db2.gz RYIJJJHTUUVISY-NEPJUHHUSA-N 2 0 329.282 3.453 20 0 EGADRP CCCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000572324776 317321138 /nfs/dbraw/zinc/32/11/38/317321138.db2.gz HVMAFRATRMOETH-QZTJIDSGSA-N 2 0 332.488 3.400 20 0 EGADRP COc1ccc2c(c1)CCC[N@@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)C2 ZINC000572593995 317361812 /nfs/dbraw/zinc/36/18/12/317361812.db2.gz PSQDDXYTRXNKII-GOSISDBHSA-N 2 0 328.431 3.325 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000572648824 317369782 /nfs/dbraw/zinc/36/97/82/317369782.db2.gz RLUYVLXCEAFYTN-FQEVSTJZSA-N 2 0 337.467 3.354 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000573355327 317473629 /nfs/dbraw/zinc/47/36/29/317473629.db2.gz QHMJBCPBWNLQKQ-SGRWCLLMSA-N 2 0 325.431 3.416 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000574424344 317597351 /nfs/dbraw/zinc/59/73/51/317597351.db2.gz RJHOPROSEGORGX-UYAOXDASSA-N 2 0 343.446 3.092 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000177926991 323347456 /nfs/dbraw/zinc/34/74/56/323347456.db2.gz OUTIOAMCMSDJPR-CZUORRHYSA-N 2 0 341.293 3.148 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000177925093 323347769 /nfs/dbraw/zinc/34/77/69/323347769.db2.gz CVAIWOFGSRIJAD-SFHVURJKSA-N 2 0 327.472 3.138 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382455348 324250768 /nfs/dbraw/zinc/25/07/68/324250768.db2.gz QGIAWAGXAYOXCJ-RDJZCZTQSA-N 2 0 339.524 3.142 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCCC[C@H]45)[C@H]3C2)cc1 ZINC000385803316 324263813 /nfs/dbraw/zinc/26/38/13/324263813.db2.gz KKXWGCYTCJSPEN-RTOMLYRKSA-N 2 0 339.527 3.113 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000575368291 324454090 /nfs/dbraw/zinc/45/40/90/324454090.db2.gz PIQFQDHSUVEYSQ-PBHICJAKSA-N 2 0 334.533 3.166 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313815322 456600946 /nfs/dbraw/zinc/60/09/46/456600946.db2.gz WUVNFWDNZJGYOQ-WWGRRREGSA-N 2 0 325.294 3.310 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313815320 456601481 /nfs/dbraw/zinc/60/14/81/456601481.db2.gz WUVNFWDNZJGYOQ-DVOMOZLQSA-N 2 0 325.294 3.310 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000578382120 324961466 /nfs/dbraw/zinc/96/14/66/324961466.db2.gz BIWAQLGIAWWTJV-TYPHKJRUSA-N 2 0 327.516 3.367 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000579287596 325088197 /nfs/dbraw/zinc/08/81/97/325088197.db2.gz LYKYFSGNGLGVIU-IRXDYDNUSA-N 2 0 334.504 3.263 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000580064079 325197459 /nfs/dbraw/zinc/19/74/59/325197459.db2.gz KESVNLVQYJMIGI-OAQYLSRUSA-N 2 0 348.531 3.186 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1C ZINC000580194235 325216011 /nfs/dbraw/zinc/21/60/11/325216011.db2.gz CMLZFDYAUSXOSI-HNNXBMFYSA-N 2 0 325.456 3.269 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000580288981 325229176 /nfs/dbraw/zinc/22/91/76/325229176.db2.gz JDMFOSXTBANLIC-CHWSQXEVSA-N 2 0 326.282 3.227 20 0 EGADRP c1c(C[NH2+]C2CCc3ccccc3CC2)onc1C1CC[NH2+]CC1 ZINC000580553157 325266349 /nfs/dbraw/zinc/26/63/49/325266349.db2.gz UGWYYPLXLJAXSS-UHFFFAOYSA-N 2 0 325.456 3.179 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000580644423 325278045 /nfs/dbraw/zinc/27/80/45/325278045.db2.gz QFJFKVPUNCYAIJ-IEBWSBKVSA-N 2 0 345.531 3.341 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000580772761 325294653 /nfs/dbraw/zinc/29/46/53/325294653.db2.gz UUEMHKBTWZIPIX-MRXNPFEDSA-N 2 0 329.488 3.247 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000580784407 325295878 /nfs/dbraw/zinc/29/58/78/325295878.db2.gz VEPIYHAOCPEHDY-SRMUXQRQSA-N 2 0 341.293 3.385 20 0 EGADRP CC[NH2+]CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000581542358 325370332 /nfs/dbraw/zinc/37/03/32/325370332.db2.gz JBWYBYRSAICROQ-UHFFFAOYSA-N 2 0 327.875 3.033 20 0 EGADRP COc1ncccc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000581637441 325377764 /nfs/dbraw/zinc/37/77/64/325377764.db2.gz WWRVIKGNWUJITD-VQIMIIECSA-N 2 0 331.504 3.265 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 ZINC000581708347 325384202 /nfs/dbraw/zinc/38/42/02/325384202.db2.gz CDNPXPXRFFJAQJ-RTWAWAEBSA-N 2 0 338.499 3.111 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000581894679 325397393 /nfs/dbraw/zinc/39/73/93/325397393.db2.gz BNLNFFSXNMQMGI-ZACQAIPSSA-N 2 0 341.421 3.139 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1nc(-c2ccccc2)no1 ZINC000582354373 325434776 /nfs/dbraw/zinc/43/47/76/325434776.db2.gz ARPFOJBODVWUCM-NRSFXHEJSA-N 2 0 340.471 3.350 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000583756419 325549501 /nfs/dbraw/zinc/54/95/01/325549501.db2.gz CQMNGWUUFAGILA-UHFFFAOYSA-N 2 0 340.515 3.417 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183140639 455237097 /nfs/dbraw/zinc/23/70/97/455237097.db2.gz RDHMZISFDGEVKW-CLAROIROSA-N 3 0 341.543 3.219 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000157855954 455240725 /nfs/dbraw/zinc/24/07/25/455240725.db2.gz GYFDQLZLZJFGDJ-OAHLLOKOSA-N 2 0 335.458 3.257 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000189840608 455244717 /nfs/dbraw/zinc/24/47/17/455244717.db2.gz ASYICQZYAONZSP-AEFFLSMTSA-N 2 0 349.494 3.187 20 0 EGADRP COc1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180796151 455247295 /nfs/dbraw/zinc/24/72/95/455247295.db2.gz OFSKYJCRYZJDDB-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000173387851 455277204 /nfs/dbraw/zinc/27/72/04/455277204.db2.gz AQESTPPAHLNZTL-MRXNPFEDSA-N 2 0 335.561 3.333 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCCC1 ZINC000173572396 455308351 /nfs/dbraw/zinc/30/83/51/455308351.db2.gz RKHVQIZFDANHGM-AQNXPRMDSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000081333274 453861966 /nfs/dbraw/zinc/86/19/66/453861966.db2.gz DOLIXAKBAUSPRO-QUCCMNQESA-N 2 0 345.531 3.260 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](C(C)C)CC2)cc1)C1CC1 ZINC000068777120 454052124 /nfs/dbraw/zinc/05/21/24/454052124.db2.gz CJPSHUVXOLGOIO-UHFFFAOYSA-N 2 0 343.515 3.227 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000044277153 454094199 /nfs/dbraw/zinc/09/41/99/454094199.db2.gz NJDGBGNCUGVYBH-UHFFFAOYSA-N 2 0 326.444 3.454 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000044517286 454104689 /nfs/dbraw/zinc/10/46/89/454104689.db2.gz YECCWNGVKIDRLG-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CN1C1CC1 ZINC000119471860 454197665 /nfs/dbraw/zinc/19/76/65/454197665.db2.gz PWPNVNOIYLKTMQ-WFASDCNBSA-N 2 0 346.862 3.147 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000130528019 454202985 /nfs/dbraw/zinc/20/29/85/454202985.db2.gz MIELNIOMLQIJPV-QGZVFWFLSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000119672344 454212357 /nfs/dbraw/zinc/21/23/57/454212357.db2.gz INMHAHNOFVLWGT-QCFAMHMHSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc2ccccc2n1 ZINC000095967681 454243156 /nfs/dbraw/zinc/24/31/56/454243156.db2.gz GMOWSVJXBNKACF-KRWDZBQOSA-N 2 0 340.515 3.159 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095968970 454244092 /nfs/dbraw/zinc/24/40/92/454244092.db2.gz DRHOZISCJCUKSI-KYNGSXCRSA-N 2 0 344.503 3.494 20 0 EGADRP CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028871 454264574 /nfs/dbraw/zinc/26/45/74/454264574.db2.gz FORFZRXRUQATDI-LJQANCHMSA-N 2 0 343.515 3.181 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028825 454264841 /nfs/dbraw/zinc/26/48/41/454264841.db2.gz TZPVURQLGWJOOC-YLJYHZDGSA-N 2 0 343.515 3.181 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000120414186 454297958 /nfs/dbraw/zinc/29/79/58/454297958.db2.gz KIXNMWNGANRMIF-GOSISDBHSA-N 2 0 333.520 3.010 20 0 EGADRP Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000090520077 454315245 /nfs/dbraw/zinc/31/52/45/454315245.db2.gz XZMVPZCJTYZXNW-LAUBAEHRSA-N 2 0 342.483 3.320 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000090524505 454315522 /nfs/dbraw/zinc/31/55/22/454315522.db2.gz WTJQWHGVOVNWJR-NJYVYQBISA-N 2 0 328.500 3.422 20 0 EGADRP Cc1ccccc1NC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000072605776 454317301 /nfs/dbraw/zinc/31/73/01/454317301.db2.gz LPZWLDZPVHCGIB-UHFFFAOYSA-N 2 0 331.504 3.376 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000090586056 454323813 /nfs/dbraw/zinc/32/38/13/454323813.db2.gz RZWVKTAPOMZFEF-DLBZAZTESA-N 2 0 332.488 3.476 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132316689 454329426 /nfs/dbraw/zinc/32/94/26/454329426.db2.gz VUWXSNWVLFXKCG-SFTDATJTSA-N 2 0 329.532 3.316 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000132373201 454332967 /nfs/dbraw/zinc/33/29/67/454332967.db2.gz UETQEZPUAHXPEK-LEWJYISDSA-N 2 0 329.532 3.308 20 0 EGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937311 454353020 /nfs/dbraw/zinc/35/30/20/454353020.db2.gz DXGYMUYNDNVJDM-MRXNPFEDSA-N 2 0 343.471 3.190 20 0 EGADRP CC[N@@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@H](C)C1 ZINC000132784362 454365360 /nfs/dbraw/zinc/36/53/60/454365360.db2.gz YHJJMQMTKWPOJI-WIYYLYMNSA-N 2 0 344.547 3.359 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000096484315 454366268 /nfs/dbraw/zinc/36/62/68/454366268.db2.gz HRBXCNAGMIKIGO-TZIWHRDSSA-N 2 0 338.499 3.248 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000121156943 454400208 /nfs/dbraw/zinc/40/02/08/454400208.db2.gz FLXIDMCLPWUUJO-PXNSSMCTSA-N 2 0 345.531 3.329 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000121423528 454433584 /nfs/dbraw/zinc/43/35/84/454433584.db2.gz VEWQYDFAAFIBEO-KBPBESRZSA-N 2 0 348.878 3.488 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)ccn1 ZINC000091408651 454433604 /nfs/dbraw/zinc/43/36/04/454433604.db2.gz JBFNIQAQQOURTA-FQEVSTJZSA-N 2 0 325.456 3.263 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000121443336 454435726 /nfs/dbraw/zinc/43/57/26/454435726.db2.gz WSFHIWZWYHSTDA-CVEARBPZSA-N 2 0 331.460 3.204 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000074181701 454540904 /nfs/dbraw/zinc/54/09/04/454540904.db2.gz VTYYKHSSKMZCMU-MRXNPFEDSA-N 2 0 338.455 3.239 20 0 EGADRP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000074188333 454541926 /nfs/dbraw/zinc/54/19/26/454541926.db2.gz FQDOTXPBMFCNDG-IRXDYDNUSA-N 2 0 349.544 3.266 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000123198111 454613971 /nfs/dbraw/zinc/61/39/71/454613971.db2.gz YBSLKHBEBIZRBZ-DJIMGWMZSA-N 2 0 337.508 3.039 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1ccccc1 ZINC000092821450 454639512 /nfs/dbraw/zinc/63/95/12/454639512.db2.gz MULLFIVPFCNTRI-NRFANRHFSA-N 2 0 339.483 3.354 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000052442085 454673826 /nfs/dbraw/zinc/67/38/26/454673826.db2.gz NLSUHBBLMOEBCP-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)CC1CC[NH+](C)CC1 ZINC000093088792 454679991 /nfs/dbraw/zinc/67/99/91/454679991.db2.gz YXJBYFAXZUGWDL-UHFFFAOYSA-N 2 0 334.414 3.129 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(C)ccc1OC ZINC000093397584 454710866 /nfs/dbraw/zinc/71/08/66/454710866.db2.gz HVULDGSGQVBKEL-IBGZPJMESA-N 2 0 333.520 3.072 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000093396905 454710913 /nfs/dbraw/zinc/71/09/13/454710913.db2.gz QRDAMDFAJKEBLW-QGZVFWFLSA-N 2 0 344.528 3.002 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093405167 454712170 /nfs/dbraw/zinc/71/21/70/454712170.db2.gz WKGRKNTVXCYBGG-AZUAARDMSA-N 2 0 347.547 3.318 20 0 EGADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000152742221 454719141 /nfs/dbraw/zinc/71/91/41/454719141.db2.gz HUMDOLDPDVJHLJ-CQSZACIVSA-N 2 0 329.444 3.130 20 0 EGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000152741979 454719743 /nfs/dbraw/zinc/71/97/43/454719743.db2.gz PMJAWHNSOQWRHC-CQSZACIVSA-N 2 0 326.444 3.071 20 0 EGADRP c1nc(C2CC2)sc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735178 454731931 /nfs/dbraw/zinc/73/19/31/454731931.db2.gz CBVYQXOSULIXCT-UHFFFAOYSA-N 2 0 335.517 3.097 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770442 454734552 /nfs/dbraw/zinc/73/45/52/454734552.db2.gz DTQPRXVENOCMBD-HXUWFJFHSA-N 2 0 331.548 3.418 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162319113 454767673 /nfs/dbraw/zinc/76/76/73/454767673.db2.gz ALMWXJZRVQREOA-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP CCOc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000137691684 454783668 /nfs/dbraw/zinc/78/36/68/454783668.db2.gz VBOMVSCKVUKGQP-GOSISDBHSA-N 2 0 347.503 3.220 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000108372326 454794939 /nfs/dbraw/zinc/79/49/39/454794939.db2.gz VYCISEPBVGEHMV-HSALFYBXSA-N 2 0 332.463 3.171 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000163032500 454818296 /nfs/dbraw/zinc/81/82/96/454818296.db2.gz RYVMYWNGOSKCAO-KZNAEPCWSA-N 2 0 339.593 3.056 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000153703586 454822688 /nfs/dbraw/zinc/82/26/88/454822688.db2.gz IHHZIVGMRXUTIC-UKRRQHHQSA-N 2 0 342.430 3.159 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163527284 454852325 /nfs/dbraw/zinc/85/23/25/454852325.db2.gz BJZOOTJYGDAQMS-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000177425894 454862684 /nfs/dbraw/zinc/86/26/84/454862684.db2.gz SOLNROZVMDEMGO-SFHVURJKSA-N 2 0 345.531 3.263 20 0 EGADRP CC[N@@H+]1CC[C@H](NCc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000246387354 455480955 /nfs/dbraw/zinc/48/09/55/455480955.db2.gz APEWIJIQONJMQI-YWZLYKJASA-N 2 0 326.488 3.309 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000164838548 454890221 /nfs/dbraw/zinc/89/02/21/454890221.db2.gz PNFKVEJHUVKHJZ-QZTJIDSGSA-N 2 0 345.531 3.169 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C(C)C)cc1 ZINC000154432976 454896353 /nfs/dbraw/zinc/89/63/53/454896353.db2.gz STMMNTQQRZLXEE-OAQYLSRUSA-N 2 0 331.548 3.179 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000154509795 454902855 /nfs/dbraw/zinc/90/28/55/454902855.db2.gz NJYXEYWASXLQRC-OALUTQOASA-N 2 0 347.547 3.195 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000126659325 454908719 /nfs/dbraw/zinc/90/87/19/454908719.db2.gz WUZGAGBLHYVKSE-YLJYHZDGSA-N 2 0 345.531 3.249 20 0 EGADRP C[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000113513447 454928028 /nfs/dbraw/zinc/92/80/28/454928028.db2.gz ZTXDFIBYKLOJSG-CQSZACIVSA-N 2 0 330.394 3.358 20 0 EGADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000113513445 454928355 /nfs/dbraw/zinc/92/83/55/454928355.db2.gz ZTXDFIBYKLOJSG-AWEZNQCLSA-N 2 0 330.394 3.358 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000113934060 454939322 /nfs/dbraw/zinc/93/93/22/454939322.db2.gz WAOBUVXLJVAVKW-HMXCVIKNSA-N 2 0 330.516 3.176 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000155011622 454953731 /nfs/dbraw/zinc/95/37/31/454953731.db2.gz DISSCLQXDYXUCZ-BZUAXINKSA-N 2 0 346.544 3.014 20 0 EGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155011286 454953816 /nfs/dbraw/zinc/95/38/16/454953816.db2.gz DISSCLQXDYXUCZ-XHSDSOJGSA-N 2 0 346.544 3.014 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178424885 454954246 /nfs/dbraw/zinc/95/42/46/454954246.db2.gz PXNMDYSBGQCMFU-XJKCOSOUSA-N 2 0 325.294 3.310 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000155119237 454965243 /nfs/dbraw/zinc/96/52/43/454965243.db2.gz IYUIDSWDAMLGID-CHWSQXEVSA-N 2 0 330.303 3.280 20 0 EGADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178717644 454969288 /nfs/dbraw/zinc/96/92/88/454969288.db2.gz RORPPXGBUXRWOJ-HUUCEWRRSA-N 2 0 330.476 3.081 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370003 454993172 /nfs/dbraw/zinc/99/31/72/454993172.db2.gz XOQPTQXJQNWYOJ-HSMVNMDESA-N 2 0 343.284 3.449 20 0 EGADRP OCCC[N@H+](CC1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000178972145 454995141 /nfs/dbraw/zinc/99/51/41/454995141.db2.gz INPIUCITWJASNK-UHFFFAOYSA-N 2 0 338.495 3.460 20 0 EGADRP Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)sc1C ZINC000127802404 454998516 /nfs/dbraw/zinc/99/85/16/454998516.db2.gz CYIAEWHGUYITDR-KSSFIOAISA-N 2 0 344.528 3.198 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000155617361 455022851 /nfs/dbraw/zinc/02/28/51/455022851.db2.gz SRPRZTRFVMRBRY-CABCVRRESA-N 2 0 339.911 3.025 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000155665109 455028483 /nfs/dbraw/zinc/02/84/83/455028483.db2.gz DLGMGAIRUZPYAW-OALUTQOASA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000155668262 455029138 /nfs/dbraw/zinc/02/91/38/455029138.db2.gz QFEQDIAHEZZUOJ-KGLIPLIRSA-N 2 0 327.875 3.156 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000155720105 455035902 /nfs/dbraw/zinc/03/59/02/455035902.db2.gz IQNZADDPMVMVTI-CABCVRRESA-N 2 0 339.911 3.025 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000128311371 455045185 /nfs/dbraw/zinc/04/51/85/455045185.db2.gz QQUOSUDSMLLCCE-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000155992035 455070178 /nfs/dbraw/zinc/07/01/78/455070178.db2.gz IQYZOBRFBONGGE-FQEVSTJZSA-N 2 0 339.483 3.089 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000623656087 460662498 /nfs/dbraw/zinc/66/24/98/460662498.db2.gz MPWSUBLTXOGSDD-QUCCMNQESA-N 2 0 332.488 3.066 20 0 EGADRP COC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152445075 455120688 /nfs/dbraw/zinc/12/06/88/455120688.db2.gz SBOODPNSBMOFJF-SUMWQHHRSA-N 2 0 342.405 3.467 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000152481194 455124869 /nfs/dbraw/zinc/12/48/69/455124869.db2.gz DOAILKOSDVHMHN-HOCLYGCPSA-N 2 0 342.462 3.455 20 0 EGADRP CC[N@H+](CCNC1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000156599933 455136583 /nfs/dbraw/zinc/13/65/83/455136583.db2.gz OZGJTBVHQHPVQP-UHFFFAOYSA-N 2 0 335.511 3.153 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000237550860 455193996 /nfs/dbraw/zinc/19/39/96/455193996.db2.gz JVEVIJORPGXPES-LBPRGKRZSA-N 2 0 339.277 3.155 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237560307 455195329 /nfs/dbraw/zinc/19/53/29/455195329.db2.gz CENOIXQGBWWDSP-PKOBYXMFSA-N 2 0 343.515 3.160 20 0 EGADRP COCc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182963994 455200830 /nfs/dbraw/zinc/20/08/30/455200830.db2.gz QBQRLTAYUCMOGL-UHFFFAOYSA-N 2 0 346.515 3.157 20 0 EGADRP COCCCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264393405 455204158 /nfs/dbraw/zinc/20/41/58/455204158.db2.gz SRQHCAJZBQUWLP-OAQYLSRUSA-N 2 0 348.531 3.181 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000180640600 455216155 /nfs/dbraw/zinc/21/61/55/455216155.db2.gz YIXRUAXUTISQOW-QRWLVFNGSA-N 2 0 328.431 3.243 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000158565864 455313356 /nfs/dbraw/zinc/31/33/56/455313356.db2.gz PAUSBFIQXXUBGF-HZPDHXFCSA-N 2 0 349.485 3.361 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000245508744 455316853 /nfs/dbraw/zinc/31/68/53/455316853.db2.gz SOBTUOKNICUVNI-MISYRCLQSA-N 2 0 329.532 3.405 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245580230 455335240 /nfs/dbraw/zinc/33/52/40/455335240.db2.gz GVEHFAAUQMMCPF-BQFCYCMXSA-N 2 0 334.504 3.202 20 0 EGADRP CN(C(=O)c1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245750585 455373067 /nfs/dbraw/zinc/37/30/67/455373067.db2.gz XMENNROERFNTOI-VQTJNVASSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000245903885 455396101 /nfs/dbraw/zinc/39/61/01/455396101.db2.gz LNJNZBQBWXLBLR-KSZLIROESA-N 2 0 337.552 3.218 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1(CC)CC ZINC000245953376 455406563 /nfs/dbraw/zinc/40/65/63/455406563.db2.gz WXMIRRGJIRFSMZ-NZSAHSFTSA-N 2 0 338.536 3.061 20 0 EGADRP CC(C)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182070841 455428529 /nfs/dbraw/zinc/42/85/29/455428529.db2.gz NCBVGFVRWVAWQM-RDTXWAMCSA-N 2 0 341.902 3.402 20 0 EGADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266917013 455474282 /nfs/dbraw/zinc/47/42/82/455474282.db2.gz KUUNKAAADFAYGJ-QZTJIDSGSA-N 2 0 340.471 3.199 20 0 EGADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(C)ccc1OC ZINC000246345687 455474471 /nfs/dbraw/zinc/47/44/71/455474471.db2.gz HFZMCXKVXBQAFH-PKOBYXMFSA-N 2 0 334.504 3.281 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000182271927 455477545 /nfs/dbraw/zinc/47/75/45/455477545.db2.gz DQDLRPHKEMAFQD-XOBRGWDASA-N 2 0 346.421 3.382 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000246705757 455518655 /nfs/dbraw/zinc/51/86/55/455518655.db2.gz ZOZAOKGJVROLME-NSISKUIASA-N 2 0 343.515 3.052 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000246915447 455535385 /nfs/dbraw/zinc/53/53/85/455535385.db2.gz GLRWERFVGCBRLL-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000247085117 455557719 /nfs/dbraw/zinc/55/77/19/455557719.db2.gz WAOBUVXLJVAVKW-HLAWJBBLSA-N 2 0 330.516 3.176 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247133168 455565357 /nfs/dbraw/zinc/56/53/57/455565357.db2.gz ZVSVKQJSVXYBQE-UEDWAMCQSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247267569 455580679 /nfs/dbraw/zinc/58/06/79/455580679.db2.gz ZRDFPYZBBPCXBP-TZIWHRDSSA-N 2 0 346.563 3.391 20 0 EGADRP Cc1cc(C)cc(NC(=O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185684088 455596309 /nfs/dbraw/zinc/59/63/09/455596309.db2.gz NHKBVAHACAZWSF-QZTJIDSGSA-N 2 0 343.515 3.485 20 0 EGADRP CC(C)CO[C@@H]1CC[NH+](CC(C)C[N@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000247670689 455636127 /nfs/dbraw/zinc/63/61/27/455636127.db2.gz QVNZTUWBIIZXPT-WOJBJXKFSA-N 2 0 340.552 3.116 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271445756 455638824 /nfs/dbraw/zinc/63/88/24/455638824.db2.gz CTFAHZDQRXLPGG-FUHWJXTLSA-N 2 0 332.488 3.379 20 0 EGADRP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284161515 455644540 /nfs/dbraw/zinc/64/45/40/455644540.db2.gz DZYQALGGXIVIBR-MSOLQXFVSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000284176080 455646403 /nfs/dbraw/zinc/64/64/03/455646403.db2.gz QUMBREYSRXJXHP-LSDHHAIUSA-N 2 0 345.466 3.103 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000247936677 455655689 /nfs/dbraw/zinc/65/56/89/455655689.db2.gz CPAUHDCVBZHLDN-VQTJNVASSA-N 2 0 336.495 3.219 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000271490153 455657705 /nfs/dbraw/zinc/65/77/05/455657705.db2.gz KFKLXQAJKUIWOB-BHDDXSALSA-N 2 0 342.527 3.365 20 0 EGADRP COCc1ccccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248023568 455672191 /nfs/dbraw/zinc/67/21/91/455672191.db2.gz OHEMTYYIHBWFND-DYESRHJHSA-N 2 0 339.483 3.228 20 0 EGADRP COC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000284409131 455681412 /nfs/dbraw/zinc/68/14/12/455681412.db2.gz QJALOKWXFHVBPN-NRFANRHFSA-N 2 0 346.515 3.454 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000192743537 455683602 /nfs/dbraw/zinc/68/36/02/455683602.db2.gz ADNGDWLOJCXVEL-HXUWFJFHSA-N 2 0 347.522 3.106 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000186154692 455704625 /nfs/dbraw/zinc/70/46/25/455704625.db2.gz CYNAAPWXGKFSDE-FQEVSTJZSA-N 2 0 329.532 3.298 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000268746910 455712190 /nfs/dbraw/zinc/71/21/90/455712190.db2.gz AYHILSFLDDGFRJ-DOXZYTNZSA-N 2 0 344.503 3.350 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2ccccc2n1 ZINC000268884641 455717987 /nfs/dbraw/zinc/71/79/87/455717987.db2.gz IGVOAXAKVJRISS-WMZOPIPTSA-N 2 0 327.472 3.122 20 0 EGADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000192924365 455719668 /nfs/dbraw/zinc/71/96/68/455719668.db2.gz UGQTVJJSSBRGRN-INIZCTEOSA-N 2 0 329.488 3.283 20 0 EGADRP CC(C)c1nc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000186331785 455744942 /nfs/dbraw/zinc/74/49/42/455744942.db2.gz REWSYSOGFKSUTK-HUUCEWRRSA-N 2 0 325.522 3.154 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOCC(F)F ZINC000249389049 455752888 /nfs/dbraw/zinc/75/28/88/455752888.db2.gz RQFMDHHTCIWALJ-HWWDLCQESA-N 2 0 326.431 3.014 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000269021946 455765799 /nfs/dbraw/zinc/76/57/99/455765799.db2.gz PWLYGTYCMBFTRM-STQMWFEESA-N 2 0 345.409 3.352 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269033490 455769908 /nfs/dbraw/zinc/76/99/08/455769908.db2.gz SFACELVWWICNAZ-HNNXBMFYSA-N 2 0 330.472 3.343 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000249770132 455775474 /nfs/dbraw/zinc/77/54/74/455775474.db2.gz AWLKVBGFAAUYIX-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1F ZINC000194043020 455794554 /nfs/dbraw/zinc/79/45/54/455794554.db2.gz ADURGIYCKXJDCZ-BHIYHBOVSA-N 2 0 332.463 3.325 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000186583991 455799295 /nfs/dbraw/zinc/79/92/95/455799295.db2.gz NIUJKOQGBQTAEL-UHFFFAOYSA-N 2 0 334.261 3.196 20 0 EGADRP COc1ccc(C(=O)CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000285283183 455816414 /nfs/dbraw/zinc/81/64/14/455816414.db2.gz AQNGGVDMEVFTPD-YLJYHZDGSA-N 2 0 342.483 3.217 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000278354507 455826937 /nfs/dbraw/zinc/82/69/37/455826937.db2.gz AZZDZEWQZFUVNI-QZTJIDSGSA-N 2 0 342.487 3.024 20 0 EGADRP COc1cccc(C2([NH2+]C3CCN(Cc4ccccn4)CC3)CC2)c1 ZINC000272187102 455870129 /nfs/dbraw/zinc/87/01/29/455870129.db2.gz GTIGMVFFGWKKGK-UHFFFAOYSA-N 2 0 337.467 3.334 20 0 EGADRP Cc1ncc(CN(C)C/C=C\CN(C)Cc2cnc(C)s2)s1 ZINC000255766065 455873549 /nfs/dbraw/zinc/87/35/49/455873549.db2.gz CWGUBOZGYKVJQM-WAYWQWQTSA-N 2 0 336.530 3.336 20 0 EGADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000285587167 455876132 /nfs/dbraw/zinc/87/61/32/455876132.db2.gz HQDAFBJKMNHHBP-KCITZHQASA-N 2 0 336.426 3.481 20 0 EGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000194807512 455886074 /nfs/dbraw/zinc/88/60/74/455886074.db2.gz FBQMUUJEQMEOFL-CQSZACIVSA-N 2 0 327.476 3.227 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)CN1Cc1ccccc1 ZINC000187392628 455904447 /nfs/dbraw/zinc/90/44/47/455904447.db2.gz POGDMOIKMWBRJD-HKUYNNGSSA-N 2 0 348.494 3.368 20 0 EGADRP C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261619933 455914861 /nfs/dbraw/zinc/91/48/61/455914861.db2.gz GGYRMEHXHFRZJP-OCCSQVGLSA-N 2 0 328.287 3.034 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000195135605 455925933 /nfs/dbraw/zinc/92/59/33/455925933.db2.gz KDENHHGLPDEEFY-BURNTYAHSA-N 2 0 340.511 3.446 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1OC ZINC000285912669 455940068 /nfs/dbraw/zinc/94/00/68/455940068.db2.gz DHZITKHUQBBELX-HNNXBMFYSA-N 2 0 346.515 3.407 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000261860549 455960735 /nfs/dbraw/zinc/96/07/35/455960735.db2.gz WSOMLOVDAONNLO-WOJBJXKFSA-N 2 0 343.515 3.054 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261887639 455965644 /nfs/dbraw/zinc/96/56/44/455965644.db2.gz VMIZXRLZIFZEOH-IRXDYDNUSA-N 2 0 329.488 3.389 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262035158 455989082 /nfs/dbraw/zinc/98/90/82/455989082.db2.gz ZKULLYNCOJZJLE-LBPRGKRZSA-N 2 0 344.286 3.383 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000296615131 455989742 /nfs/dbraw/zinc/98/97/42/455989742.db2.gz ZLFPCOJLDHVYBO-HXUWFJFHSA-N 2 0 339.483 3.151 20 0 EGADRP COc1cc(C[N@H+](C)CCn2ccnc2C)c(SC)cc1OC ZINC000270618041 455997205 /nfs/dbraw/zinc/99/72/05/455997205.db2.gz CTSJPTUASKBPJX-UHFFFAOYSA-N 2 0 335.473 3.063 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000272585644 456004093 /nfs/dbraw/zinc/00/40/93/456004093.db2.gz RDRQRZOZPHPOQM-QGZVFWFLSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604447 456009970 /nfs/dbraw/zinc/00/99/70/456009970.db2.gz YYNFKTXHDKNCON-VLCRHTCISA-N 2 0 338.495 3.090 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272614729 456014963 /nfs/dbraw/zinc/01/49/63/456014963.db2.gz ZZWOTTXYXDVYMO-NRFANRHFSA-N 2 0 345.506 3.379 20 0 EGADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)cc1 ZINC000219313844 456035596 /nfs/dbraw/zinc/03/55/96/456035596.db2.gz HAWJNQPSAULXBO-OAHLLOKOSA-N 2 0 329.282 3.068 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C ZINC000272833095 456083961 /nfs/dbraw/zinc/08/39/61/456083961.db2.gz FOHJCNCJVLIADB-PWIZWCRZSA-N 2 0 346.515 3.422 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])cc21 ZINC000263222127 456112167 /nfs/dbraw/zinc/11/21/67/456112167.db2.gz MASKNZRKIKPUTI-PXNSSMCTSA-N 2 0 342.487 3.049 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000236637117 456161388 /nfs/dbraw/zinc/16/13/88/456161388.db2.gz FRGMCJWNPJICNJ-HXUWFJFHSA-N 2 0 329.488 3.389 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)ccc2n1 ZINC000333141548 456167590 /nfs/dbraw/zinc/16/75/90/456167590.db2.gz KZYBSJSUDHCHOO-FPOVZHCZSA-N 2 0 339.483 3.262 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333191001 456175055 /nfs/dbraw/zinc/17/50/55/456175055.db2.gz UZWQIOIXEVKJAU-HZPDHXFCSA-N 2 0 337.533 3.159 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000236824887 456188445 /nfs/dbraw/zinc/18/84/45/456188445.db2.gz HHQDFAIFVIBWMO-PXNSSMCTSA-N 2 0 345.531 3.212 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000236938076 456204715 /nfs/dbraw/zinc/20/47/15/456204715.db2.gz HGSQXCMKDUPKIQ-UGSOOPFHSA-N 2 0 326.444 3.198 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000273204347 456214051 /nfs/dbraw/zinc/21/40/51/456214051.db2.gz JJKCHQZWPUPTSD-HZPDHXFCSA-N 2 0 335.492 3.090 20 0 EGADRP C[C@@H](O)c1ncc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290085648 456235970 /nfs/dbraw/zinc/23/59/70/456235970.db2.gz QYMZZZWDQVMYFT-NVXWUHKLSA-N 2 0 345.512 3.150 20 0 EGADRP C[C@H](O)c1ncc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290085643 456236340 /nfs/dbraw/zinc/23/63/40/456236340.db2.gz QYMZZZWDQVMYFT-DOTOQJQBSA-N 2 0 345.512 3.150 20 0 EGADRP CSc1cc2c(cc1C[NH2+]Cc1ccc3c[nH+]cn3c1)OCCO2 ZINC000297501690 456237638 /nfs/dbraw/zinc/23/76/38/456237638.db2.gz LLWGCBCLQFBAJA-UHFFFAOYSA-N 2 0 341.436 3.117 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189174238 456245866 /nfs/dbraw/zinc/24/58/66/456245866.db2.gz LRLJQIJXOCVDHX-LBPRGKRZSA-N 2 0 349.828 3.084 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000290288718 456280401 /nfs/dbraw/zinc/28/04/01/456280401.db2.gz MQRVBZYJMPNCPH-FUHWJXTLSA-N 2 0 337.483 3.420 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000302100949 456287445 /nfs/dbraw/zinc/28/74/45/456287445.db2.gz LVORXVACANBXBF-IRXDYDNUSA-N 2 0 341.540 3.103 20 0 EGADRP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000290331608 456295509 /nfs/dbraw/zinc/29/55/09/456295509.db2.gz DUIMAFGLTZQEHH-IBGZPJMESA-N 2 0 338.499 3.251 20 0 EGADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340200302 456309156 /nfs/dbraw/zinc/30/91/56/456309156.db2.gz VCNDKHIDIFQULK-BBWFWOEESA-N 2 0 334.504 3.199 20 0 EGADRP Cc1noc(C)c1CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793340 456310209 /nfs/dbraw/zinc/31/02/09/456310209.db2.gz WHUYMGQLFBOXGZ-WOJBJXKFSA-N 2 0 339.483 3.288 20 0 EGADRP CN1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@H]1c1ccccc1 ZINC000340205308 456315384 /nfs/dbraw/zinc/31/53/84/456315384.db2.gz PGDWWFUISRQKMB-QUCCMNQESA-N 2 0 328.431 3.243 20 0 EGADRP COc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000352829935 456344381 /nfs/dbraw/zinc/34/43/81/456344381.db2.gz ITVATKBGLQKVNG-OAQYLSRUSA-N 2 0 337.467 3.188 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000340276532 456355928 /nfs/dbraw/zinc/35/59/28/456355928.db2.gz GGXYSTUQIUJZKK-INMHGKMJSA-N 2 0 330.463 3.243 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)CC1 ZINC000290561669 456364819 /nfs/dbraw/zinc/36/48/19/456364819.db2.gz SKEBXBPYRBHBDN-INIZCTEOSA-N 2 0 342.462 3.380 20 0 EGADRP Cc1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)n1-c1ccccc1 ZINC000290595550 456377428 /nfs/dbraw/zinc/37/74/28/456377428.db2.gz VPLABMLKANIRPY-LJQANCHMSA-N 2 0 338.499 3.344 20 0 EGADRP COCC1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCC1 ZINC000282009565 456388425 /nfs/dbraw/zinc/38/84/25/456388425.db2.gz MRQLAHNHHWUKNY-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000352890782 456393482 /nfs/dbraw/zinc/39/34/82/456393482.db2.gz ALYSNUMUCMJHDD-VQIMIIECSA-N 2 0 332.488 3.337 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000276153941 456401501 /nfs/dbraw/zinc/40/15/01/456401501.db2.gz RFFDJWIEKOLWFO-UHFFFAOYSA-N 2 0 348.535 3.012 20 0 EGADRP CO[C@H](CC[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000340365983 456416654 /nfs/dbraw/zinc/41/66/54/456416654.db2.gz NQYKIMLWWVOWII-OWCLPIDISA-N 2 0 330.394 3.379 20 0 EGADRP C[C@H]([NH2+]CC[S@](=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347957000 456429098 /nfs/dbraw/zinc/42/90/98/456429098.db2.gz MXXBEOGWYUQEOM-MFEFFIJZSA-N 2 0 334.529 3.037 20 0 EGADRP C[C@H](COc1ccc(F)cc1F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298546947 456485863 /nfs/dbraw/zinc/48/58/63/456485863.db2.gz UEPPFJCTVOIIEK-CQSZACIVSA-N 2 0 347.409 3.386 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000282193753 456439949 /nfs/dbraw/zinc/43/99/49/456439949.db2.gz WRSAJCBJGQRVBR-QGZVFWFLSA-N 2 0 335.561 3.475 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000298441275 456458102 /nfs/dbraw/zinc/45/81/02/456458102.db2.gz NMYNGZBCPRDWEX-UHFFFAOYSA-N 2 0 327.516 3.389 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000303739553 456481782 /nfs/dbraw/zinc/48/17/82/456481782.db2.gz HYHDBWDHDMQIPR-PMACEKPBSA-N 2 0 329.532 3.294 20 0 EGADRP CCC(C)(C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000343312411 456523350 /nfs/dbraw/zinc/52/33/50/456523350.db2.gz RNENBUXSNISFIP-UHFFFAOYSA-N 2 0 345.531 3.150 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187924 456524358 /nfs/dbraw/zinc/52/43/58/456524358.db2.gz QJUKWVSUVJPKRZ-FGZHOGPDSA-N 2 0 341.543 3.459 20 0 EGADRP Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(C(F)F)n1 ZINC000291161698 456550061 /nfs/dbraw/zinc/55/00/61/456550061.db2.gz IQMNFPGZKFKLNB-UHFFFAOYSA-N 2 0 348.441 3.360 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000340599595 456559611 /nfs/dbraw/zinc/55/96/11/456559611.db2.gz SNJHANJZZVDURK-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000340600119 456561256 /nfs/dbraw/zinc/56/12/56/456561256.db2.gz JAUGWQDKNKLZRJ-OAHLLOKOSA-N 2 0 335.467 3.207 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000340601014 456561472 /nfs/dbraw/zinc/56/14/72/456561472.db2.gz QUDYDHFAOZIQKN-KRWDZBQOSA-N 2 0 331.504 3.376 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298887960 456562258 /nfs/dbraw/zinc/56/22/58/456562258.db2.gz KXDKXNKZOBZKTB-CVEARBPZSA-N 2 0 347.478 3.397 20 0 EGADRP CCN1CCC([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000310051946 456578392 /nfs/dbraw/zinc/57/83/92/456578392.db2.gz MUPNQIGOUGWVER-KRWDZBQOSA-N 2 0 339.524 3.144 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000353265708 456598426 /nfs/dbraw/zinc/59/84/26/456598426.db2.gz ANNSNAFWUJWHLO-OXJNMPFZSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000282793829 456627792 /nfs/dbraw/zinc/62/77/92/456627792.db2.gz YRVCIECOAMOHNK-NIKGAXFTSA-N 2 0 336.907 3.238 20 0 EGADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276964831 456633992 /nfs/dbraw/zinc/63/39/92/456633992.db2.gz XBOCVFUUQIFBHE-INIZCTEOSA-N 2 0 347.503 3.124 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000348360062 456648063 /nfs/dbraw/zinc/64/80/63/456648063.db2.gz BYSWGCVVVYEKFG-MOPGFXCFSA-N 2 0 331.504 3.036 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CC4CCOCC4)C3)CC2)cc1 ZINC000291489438 456658357 /nfs/dbraw/zinc/65/83/57/456658357.db2.gz SKBQZPBWHZKYEJ-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000299474814 456704785 /nfs/dbraw/zinc/70/47/85/456704785.db2.gz BDBHEJPOZAFQAC-MRXNPFEDSA-N 2 0 347.528 3.048 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CS1 ZINC000277228880 456733936 /nfs/dbraw/zinc/73/39/36/456733936.db2.gz MCGUGQNBQCTQIS-OTWHNJEPSA-N 2 0 348.556 3.263 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[NH+](CC)CC3)c2cc1OCC ZINC000301165167 456810667 /nfs/dbraw/zinc/81/06/67/456810667.db2.gz HPVOXYHTELOZIF-UHFFFAOYSA-N 2 0 329.444 3.174 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C/C=C\c3ccncc3)cc2)CC1 ZINC000341274556 456830372 /nfs/dbraw/zinc/83/03/72/456830372.db2.gz QVKJGCQXYZBURF-IHWYPQMZSA-N 2 0 337.467 3.358 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC[NH+](C)CC1 ZINC000353651976 456831305 /nfs/dbraw/zinc/83/13/05/456831305.db2.gz VYROBYJOYUJMDB-CQSZACIVSA-N 2 0 338.565 3.425 20 0 EGADRP Cc1ccoc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341308220 456839760 /nfs/dbraw/zinc/83/97/60/456839760.db2.gz XAVWKHKXGDMBBJ-UHFFFAOYSA-N 2 0 328.456 3.395 20 0 EGADRP Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)nc(C2CC2)n1 ZINC000341514820 456873214 /nfs/dbraw/zinc/87/32/14/456873214.db2.gz WBVSTONZBRIXRB-HNNXBMFYSA-N 2 0 328.485 3.395 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000292198932 456883052 /nfs/dbraw/zinc/88/30/52/456883052.db2.gz YCSCCHMKHFDAQL-SJLPKXTDSA-N 2 0 329.488 3.389 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccco1 ZINC000339073041 456926742 /nfs/dbraw/zinc/92/67/42/456926742.db2.gz ZBOSGKCCCGVSBL-MSOLQXFVSA-N 2 0 339.439 3.248 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000341839345 456966955 /nfs/dbraw/zinc/96/69/55/456966955.db2.gz JJVGGHAFPGPOBN-KRWDZBQOSA-N 2 0 331.504 3.085 20 0 EGADRP Cc1ccc([C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CCC2)o1 ZINC000349453544 456971580 /nfs/dbraw/zinc/97/15/80/456971580.db2.gz OVSIKMWJARNFGD-HXUWFJFHSA-N 2 0 333.520 3.292 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000353934818 456971559 /nfs/dbraw/zinc/97/15/59/456971559.db2.gz YIEQNPVYPMFFCQ-MXSMSXNCSA-N 2 0 332.488 3.412 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000339231866 457006182 /nfs/dbraw/zinc/00/61/82/457006182.db2.gz BMQRYJZMBSWCCQ-UHFFFAOYSA-N 2 0 329.532 3.317 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000349661144 457009545 /nfs/dbraw/zinc/00/95/45/457009545.db2.gz FDCGELSQGJIZPD-UXLLHSPISA-N 2 0 339.549 3.282 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000354078126 457046810 /nfs/dbraw/zinc/04/68/10/457046810.db2.gz NNUATVXNDYLZAL-KRWDZBQOSA-N 2 0 345.462 3.307 20 0 EGADRP CN(Cc1ccc(F)cc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362720184 457060250 /nfs/dbraw/zinc/06/02/50/457060250.db2.gz SVGIRFYISPBCIE-KRWDZBQOSA-N 2 0 339.886 3.079 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000356598284 457074996 /nfs/dbraw/zinc/07/49/96/457074996.db2.gz PNFFVXJLVFDAKC-SJLPKXTDSA-N 2 0 346.519 3.010 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]21 ZINC000342088850 457102040 /nfs/dbraw/zinc/10/20/40/457102040.db2.gz ASPAACHHPZOBOR-HMXCVIKNSA-N 2 0 349.478 3.498 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]21 ZINC000342088848 457102323 /nfs/dbraw/zinc/10/23/23/457102323.db2.gz ASPAACHHPZOBOR-HLAWJBBLSA-N 2 0 349.478 3.498 20 0 EGADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000342092425 457104533 /nfs/dbraw/zinc/10/45/33/457104533.db2.gz XGJUAQXHWVFBOH-QGZVFWFLSA-N 2 0 341.503 3.177 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000359669416 457108059 /nfs/dbraw/zinc/10/80/59/457108059.db2.gz CRJRNXUSFCMDAH-YRNRMSPPSA-N 2 0 332.488 3.162 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000354209668 457133935 /nfs/dbraw/zinc/13/39/35/457133935.db2.gz RENSFQVQNWGUJD-HUUCEWRRSA-N 2 0 337.895 3.473 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)n1 ZINC000359928254 457152819 /nfs/dbraw/zinc/15/28/19/457152819.db2.gz ZZVQGVMNWAOCBT-LPHOPBHVSA-N 2 0 326.488 3.104 20 0 EGADRP CCN(C)c1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000359956233 457171277 /nfs/dbraw/zinc/17/12/77/457171277.db2.gz CGQWUMJCNIGKLH-HDICACEKSA-N 2 0 332.536 3.385 20 0 EGADRP COc1cc(F)cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000354290167 457176459 /nfs/dbraw/zinc/17/64/59/457176459.db2.gz RLSQMQIEZKSTSR-UHFFFAOYSA-N 2 0 346.446 3.455 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000354297685 457180633 /nfs/dbraw/zinc/18/06/33/457180633.db2.gz VGSNRTDOYUVQSD-QXAKKESOSA-N 2 0 330.520 3.138 20 0 EGADRP Fc1ccc(C[N@H+](CCc2ccccn2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346841429 457181468 /nfs/dbraw/zinc/18/14/68/457181468.db2.gz VYLYRZQBJGGHDX-SFHVURJKSA-N 2 0 327.447 3.265 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000339680077 457209484 /nfs/dbraw/zinc/20/94/84/457209484.db2.gz FWRPBFKXQFZOQE-QGZVFWFLSA-N 2 0 335.561 3.477 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000356906515 457211128 /nfs/dbraw/zinc/21/11/28/457211128.db2.gz VZRGXIFKDKKBEO-BQJUDKOJSA-N 2 0 342.527 3.284 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000356906516 457211242 /nfs/dbraw/zinc/21/12/42/457211242.db2.gz VZRGXIFKDKKBEO-BURNTYAHSA-N 2 0 342.527 3.284 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000347084496 457222522 /nfs/dbraw/zinc/22/25/22/457222522.db2.gz AQAZBOOBAOMCND-INIZCTEOSA-N 2 0 340.414 3.261 20 0 EGADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354490531 457255213 /nfs/dbraw/zinc/25/52/13/457255213.db2.gz HAQHTLDNNSUZRJ-UHFFFAOYSA-N 2 0 335.517 3.011 20 0 EGADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357021207 457281053 /nfs/dbraw/zinc/28/10/53/457281053.db2.gz YRYLRBUUZPXAIK-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC000342421251 457294807 /nfs/dbraw/zinc/29/48/07/457294807.db2.gz DQDGZHOZYWUVBU-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(OC)n2)CC1)CC1CC1 ZINC000357081949 457312787 /nfs/dbraw/zinc/31/27/87/457312787.db2.gz IWHMACZXQGROEB-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(F)c2cccnc12 ZINC000355218654 457348416 /nfs/dbraw/zinc/34/84/16/457348416.db2.gz XZXYYFQEFKVYNV-AYOQOUSVSA-N 2 0 343.446 3.057 20 0 EGADRP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000347383305 457392646 /nfs/dbraw/zinc/39/26/46/457392646.db2.gz VTRDNHXKTMWLMS-HXUWFJFHSA-N 2 0 345.531 3.276 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCc2nccn21)c1ccsc1 ZINC000352486738 457407359 /nfs/dbraw/zinc/40/73/59/457407359.db2.gz VITHQDSDNBQLFZ-JKSUJKDBSA-N 2 0 346.500 3.021 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)cc1 ZINC000387631648 457432788 /nfs/dbraw/zinc/43/27/88/457432788.db2.gz FOUFJOYWEQMAKA-GOSISDBHSA-N 2 0 333.520 3.169 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000352541044 457451090 /nfs/dbraw/zinc/45/10/90/457451090.db2.gz SVNJLPHJUJGMIG-LJQANCHMSA-N 2 0 325.456 3.364 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000347472549 457452494 /nfs/dbraw/zinc/45/24/94/457452494.db2.gz ZZPGZIYYUNXGHQ-QWFCFKBJSA-N 2 0 338.536 3.157 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000357340737 457459620 /nfs/dbraw/zinc/45/96/20/457459620.db2.gz BJHIZFMCGBWDKL-PZJWPPBQSA-N 2 0 345.531 3.122 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1)C1CC1 ZINC000357363084 457473795 /nfs/dbraw/zinc/47/37/95/457473795.db2.gz NOOWYPLTWUKMIE-LJQANCHMSA-N 2 0 329.488 3.014 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397558746 457488525 /nfs/dbraw/zinc/48/85/25/457488525.db2.gz ROFWYYPAJNYPTP-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400975791 457520149 /nfs/dbraw/zinc/52/01/49/457520149.db2.gz RPXWUJNGMXSXOY-BQJUDKOJSA-N 2 0 341.543 3.265 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000374203420 457521009 /nfs/dbraw/zinc/52/10/09/457521009.db2.gz CRRWMPFCKZPUJP-UHFFFAOYSA-N 2 0 347.522 3.421 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000357434647 457523428 /nfs/dbraw/zinc/52/34/28/457523428.db2.gz CDUNECJHFBXSLS-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CCn1nc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000364221939 457531928 /nfs/dbraw/zinc/53/19/28/457531928.db2.gz NAQCKFGEEBBLJN-QGZVFWFLSA-N 2 0 326.488 3.364 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C2CCCC2)o1 ZINC000342803459 457535471 /nfs/dbraw/zinc/53/54/71/457535471.db2.gz YXKOGKYFXAGBTE-HXUWFJFHSA-N 2 0 333.520 3.437 20 0 EGADRP CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000347598011 457537688 /nfs/dbraw/zinc/53/76/88/457537688.db2.gz XFZASMBYMDGFDW-PKOBYXMFSA-N 2 0 345.531 3.054 20 0 EGADRP CC[NH+](CC)CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000357472163 457550000 /nfs/dbraw/zinc/55/00/00/457550000.db2.gz JHVJKOVKNHSUKF-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1)CC1CC1 ZINC000425465683 457564584 /nfs/dbraw/zinc/56/45/84/457564584.db2.gz ZVWFIAUXZZKRDL-QFIPXVFZSA-N 2 0 344.543 3.424 20 0 EGADRP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000370635058 457687940 /nfs/dbraw/zinc/68/79/40/457687940.db2.gz NWCVGBPWNQQRNS-OALUTQOASA-N 2 0 329.532 3.431 20 0 EGADRP Cc1ccc(C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000370635224 457688050 /nfs/dbraw/zinc/68/80/50/457688050.db2.gz OHPIFCWUJOMBHF-UNMCSNQZSA-N 2 0 341.543 3.074 20 0 EGADRP Cc1ccc2cc([C@@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)oc2c1 ZINC000426015521 457759687 /nfs/dbraw/zinc/75/96/87/457759687.db2.gz GIPDZYKRBOKIFS-DLBZAZTESA-N 2 0 329.488 3.418 20 0 EGADRP CCC[C@@H](CCc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433130825 457763432 /nfs/dbraw/zinc/76/34/32/457763432.db2.gz BBAVWBBUFYUNMI-FQEVSTJZSA-N 2 0 345.531 3.107 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[N@H+](C)C[C@H]3C)c2cc1OCC ZINC000443441161 457765937 /nfs/dbraw/zinc/76/59/37/457765937.db2.gz WIYCMFBKJVWWPU-CQSZACIVSA-N 2 0 329.444 3.173 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000361529299 457772830 /nfs/dbraw/zinc/77/28/30/457772830.db2.gz DJNQLTPAKCFLQU-KKSFZXQISA-N 2 0 344.499 3.163 20 0 EGADRP COCC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000366500640 457830978 /nfs/dbraw/zinc/83/09/78/457830978.db2.gz MWEZTBAHRDDKFK-PKOBYXMFSA-N 2 0 338.536 3.062 20 0 EGADRP C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000358180968 457841197 /nfs/dbraw/zinc/84/11/97/457841197.db2.gz SLFNNOZZKBWLOJ-MGPUTAFESA-N 2 0 346.446 3.150 20 0 EGADRP CC(CC[NH+](C)C[C@@H]1CCCOC1)CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000411268445 457846715 /nfs/dbraw/zinc/84/67/15/457846715.db2.gz DELSBNIGDDLDBM-PMACEKPBSA-N 2 0 340.552 3.120 20 0 EGADRP OC1(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000411311834 457856607 /nfs/dbraw/zinc/85/66/07/457856607.db2.gz YAYILIFSOVBQJN-FQEVSTJZSA-N 2 0 328.500 3.280 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCc1cncs1 ZINC000411545905 457917633 /nfs/dbraw/zinc/91/76/33/457917633.db2.gz YPRFXOVOJUESRZ-HZPDHXFCSA-N 2 0 329.513 3.432 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000371437358 457930322 /nfs/dbraw/zinc/93/03/22/457930322.db2.gz DGRRRAPBPAFTHG-RCCFBDPRSA-N 2 0 329.488 3.237 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C2)CC1 ZINC000367201818 457934396 /nfs/dbraw/zinc/93/43/96/457934396.db2.gz VXRARUNDNWAXSM-UHFFFAOYSA-N 2 0 344.368 3.008 20 0 EGADRP COCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCO[C@@H]1C ZINC000411651990 457939712 /nfs/dbraw/zinc/93/97/12/457939712.db2.gz DBIIYKAXHQGKCE-NQIIRXRSSA-N 2 0 346.515 3.298 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000411661082 457942604 /nfs/dbraw/zinc/94/26/04/457942604.db2.gz LMOQSYXXVPBYRT-WIYYLYMNSA-N 2 0 344.499 3.052 20 0 EGADRP OC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1(F)F ZINC000411739765 457967065 /nfs/dbraw/zinc/96/70/65/457967065.db2.gz AWGOXTKNKAITBQ-GOSISDBHSA-N 2 0 338.442 3.122 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000367896271 457994402 /nfs/dbraw/zinc/99/44/02/457994402.db2.gz MYRTXVZEDLJRID-HOCLYGCPSA-N 2 0 334.426 3.483 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000362025923 458011104 /nfs/dbraw/zinc/01/11/04/458011104.db2.gz LNSDLAACHJCLPD-MAUKXSAKSA-N 2 0 332.492 3.085 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358504410 458044864 /nfs/dbraw/zinc/04/48/64/458044864.db2.gz GLOHXCADIOQZNR-QGZVFWFLSA-N 2 0 329.488 3.014 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427863918 458045891 /nfs/dbraw/zinc/04/58/91/458045891.db2.gz KKVVXNIQVVLGDA-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]([NH2+]CCN1CCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428325734 458121211 /nfs/dbraw/zinc/12/12/11/458121211.db2.gz NTMJXVMSSQLVKP-IEBWSBKVSA-N 2 0 327.516 3.292 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435370680 458122645 /nfs/dbraw/zinc/12/26/45/458122645.db2.gz QBWZECDJNADUPI-SFHVURJKSA-N 2 0 339.483 3.448 20 0 EGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000435373055 458123901 /nfs/dbraw/zinc/12/39/01/458123901.db2.gz LQIMJMPIDUSTSG-FUHWJXTLSA-N 2 0 340.515 3.398 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435376966 458125775 /nfs/dbraw/zinc/12/57/75/458125775.db2.gz WUKJXEIHWJNLOQ-HKUYNNGSSA-N 2 0 339.483 3.447 20 0 EGADRP C[C@@H]1CN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000435378992 458128289 /nfs/dbraw/zinc/12/82/89/458128289.db2.gz HHCZDPDZBCIDER-XYPHTWIQSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(OCc2nc(CN3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000435378492 458128578 /nfs/dbraw/zinc/12/85/78/458128578.db2.gz IXPXDKNYQKHCNU-CABCVRRESA-N 2 0 331.485 3.200 20 0 EGADRP C[C@H](CC1CCOCC1)C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435390420 458134367 /nfs/dbraw/zinc/13/43/67/458134367.db2.gz PBIWCKZHXMIGTM-WIYYLYMNSA-N 2 0 345.531 3.479 20 0 EGADRP CC(C)(C)n1cc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000435388887 458134568 /nfs/dbraw/zinc/13/45/68/458134568.db2.gz HSBXEDGAFYORFI-IBGZPJMESA-N 2 0 341.503 3.177 20 0 EGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000375988950 458152337 /nfs/dbraw/zinc/15/23/37/458152337.db2.gz OXKJJQJYWFUZEW-FPOVZHCZSA-N 2 0 338.499 3.299 20 0 EGADRP CCCc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000376326485 458267727 /nfs/dbraw/zinc/26/77/27/458267727.db2.gz ZLWIQVQETKWNOJ-WIYYLYMNSA-N 2 0 329.532 3.097 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436308664 458287572 /nfs/dbraw/zinc/28/75/72/458287572.db2.gz MWROVERAYYOKNL-PMACEKPBSA-N 2 0 345.462 3.165 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000362594344 458289963 /nfs/dbraw/zinc/28/99/63/458289963.db2.gz SDUJYALNIHQTAL-UHFFFAOYSA-N 2 0 343.393 3.223 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000447536756 458306530 /nfs/dbraw/zinc/30/65/30/458306530.db2.gz PRUKNBYSPIVLRD-LEWJYISDSA-N 2 0 329.532 3.487 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369686737 458316185 /nfs/dbraw/zinc/31/61/85/458316185.db2.gz ZUIQENLOKZDSJW-IBGZPJMESA-N 2 0 337.552 3.223 20 0 EGADRP COc1ccc([C@H]([NH2+]CCOCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000447591852 458318119 /nfs/dbraw/zinc/31/81/19/458318119.db2.gz FUNRHQXNJSRMOL-HXUWFJFHSA-N 2 0 346.446 3.092 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1)C1CC1 ZINC000429611129 458353024 /nfs/dbraw/zinc/35/30/24/458353024.db2.gz NIQKGIAKUCCTTH-IBGZPJMESA-N 2 0 331.504 3.116 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1)C1CC1 ZINC000429611132 458353057 /nfs/dbraw/zinc/35/30/57/458353057.db2.gz NIQKGIAKUCCTTH-LJQANCHMSA-N 2 0 331.504 3.116 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000459445556 458373779 /nfs/dbraw/zinc/37/37/79/458373779.db2.gz DJUWMDRFLGRAMB-IZHWHUGBSA-N 2 0 343.496 3.139 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459462322 458378102 /nfs/dbraw/zinc/37/81/02/458378102.db2.gz KVMQKWDDHXEEDI-ZWKOTPCHSA-N 3 0 342.531 3.293 20 0 EGADRP Fc1ccc(F)c2c1OCC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459565577 458413025 /nfs/dbraw/zinc/41/30/25/458413025.db2.gz YAYBZRSGHPAHKN-QGZVFWFLSA-N 2 0 345.393 3.442 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000430229738 458425430 /nfs/dbraw/zinc/42/54/30/458425430.db2.gz YPMZLHAIZHPCEV-PGRDOPGGSA-N 2 0 341.543 3.023 20 0 EGADRP C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423427310 458431458 /nfs/dbraw/zinc/43/14/58/458431458.db2.gz NTCCBHFXIHWZLD-AVCGJXAMSA-N 2 0 349.522 3.374 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423461529 458436602 /nfs/dbraw/zinc/43/66/02/458436602.db2.gz SWIBXOLONWMFPE-FZMZJTMJSA-N 2 0 327.266 3.380 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C)c(C)n2)CC1 ZINC000459660807 458439350 /nfs/dbraw/zinc/43/93/50/458439350.db2.gz FNAXAGNGNKAWET-UHFFFAOYSA-N 2 0 338.499 3.130 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C2 ZINC000423489081 458442424 /nfs/dbraw/zinc/44/24/24/458442424.db2.gz VXHWETMLGWYQIO-IAGOWNOFSA-N 2 0 337.305 3.428 20 0 EGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423522789 458451703 /nfs/dbraw/zinc/45/17/03/458451703.db2.gz RSWPPNMAYZSNHC-HUUCEWRRSA-N 2 0 328.909 3.179 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423545119 458455659 /nfs/dbraw/zinc/45/56/59/458455659.db2.gz OTVZJXMCEPKTJQ-ZJIFWQFVSA-N 2 0 346.471 3.120 20 0 EGADRP NC1(C[NH2+][C@H]2CCCc3occc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423550260 458456286 /nfs/dbraw/zinc/45/62/86/458456286.db2.gz FOJMVZJUTPHMIG-IBGZPJMESA-N 2 0 339.483 3.240 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430548264 458460010 /nfs/dbraw/zinc/46/00/10/458460010.db2.gz BUBBVKQACYNLPY-FUHWJXTLSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430557775 458460899 /nfs/dbraw/zinc/46/08/99/458460899.db2.gz XBQKGFLVZZEGKO-STQMWFEESA-N 2 0 332.366 3.023 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000430579431 458465330 /nfs/dbraw/zinc/46/53/30/458465330.db2.gz GINRFHTYWCYROP-RDJZCZTQSA-N 2 0 349.544 3.122 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000430583864 458466752 /nfs/dbraw/zinc/46/67/52/458466752.db2.gz XZKJBMBEDWTKLV-QAPCUYQASA-N 2 0 333.520 3.444 20 0 EGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000430597633 458469148 /nfs/dbraw/zinc/46/91/48/458469148.db2.gz MCWNZCLXUMIZSY-GOSISDBHSA-N 2 0 327.472 3.474 20 0 EGADRP C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000430617773 458471285 /nfs/dbraw/zinc/47/12/85/458471285.db2.gz OWAOEYXPPPBFNY-YESZJQIVSA-N 2 0 339.483 3.076 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000373392867 458480531 /nfs/dbraw/zinc/48/05/31/458480531.db2.gz KDSOMSJGJTUXHJ-TZIWHRDSSA-N 2 0 329.532 3.184 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000430720355 458485274 /nfs/dbraw/zinc/48/52/74/458485274.db2.gz JBBSTZPNMVNAMO-UHOSZYNNSA-N 2 0 330.520 3.138 20 0 EGADRP [NH3+]C1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000437793241 458494734 /nfs/dbraw/zinc/49/47/34/458494734.db2.gz BWFVNYJTAFVVFR-UHFFFAOYSA-N 2 0 339.886 3.303 20 0 EGADRP CC(C)(C)[C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000423860454 458500154 /nfs/dbraw/zinc/50/01/54/458500154.db2.gz MYWWINKJFCIEBH-FUHWJXTLSA-N 2 0 337.552 3.301 20 0 EGADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430949937 458509783 /nfs/dbraw/zinc/50/97/83/458509783.db2.gz FMOIFDYKPKUYAF-AWEZNQCLSA-N 2 0 330.394 3.406 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1)c1ccccc1 ZINC000460383848 458514749 /nfs/dbraw/zinc/51/47/49/458514749.db2.gz IGTFOOUVDMSWCZ-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC[C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000438120844 458537245 /nfs/dbraw/zinc/53/72/45/458537245.db2.gz XJMDLCRETNZEFD-NJDAHSKKSA-N 2 0 328.500 3.400 20 0 EGADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)N1CCc2ccccc2C1 ZINC000468848411 458539237 /nfs/dbraw/zinc/53/92/37/458539237.db2.gz FJDYRWMWCRPBGM-UIFIKXQLSA-N 2 0 329.532 3.143 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)CC1CCCCC1 ZINC000424137610 458567820 /nfs/dbraw/zinc/56/78/20/458567820.db2.gz BBPRVWQNNAOMRX-MOPGFXCFSA-N 2 0 335.536 3.055 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)CC[C@H]21 ZINC000424171849 458576045 /nfs/dbraw/zinc/57/60/45/458576045.db2.gz LKLIKJSRMOUCGH-GUDVDZBRSA-N 2 0 335.536 3.007 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](Oc2ccncc2)C1 ZINC000431606749 458594537 /nfs/dbraw/zinc/59/45/37/458594537.db2.gz GJDWGUPGIVIZQN-INIZCTEOSA-N 2 0 345.830 3.135 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000438551734 458596416 /nfs/dbraw/zinc/59/64/16/458596416.db2.gz GEEVKOVECOIZTB-ROUUACIJSA-N 2 0 347.503 3.186 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438552979 458597280 /nfs/dbraw/zinc/59/72/80/458597280.db2.gz PSXWSFZJSHJDMC-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccn(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424288120 458605061 /nfs/dbraw/zinc/60/50/61/458605061.db2.gz KHHIANXBHKXMFK-HNNXBMFYSA-N 2 0 344.890 3.490 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000438609421 458606113 /nfs/dbraw/zinc/60/61/13/458606113.db2.gz YUAXXFSCORTBDB-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ncc(-c3cccc(F)c3)o1)CC[NH2+]CC2 ZINC000424294414 458606279 /nfs/dbraw/zinc/60/62/79/458606279.db2.gz QFGDPTVQCCJXNA-AWEZNQCLSA-N 2 0 329.419 3.445 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424295899 458607718 /nfs/dbraw/zinc/60/77/18/458607718.db2.gz ROLYEFNDULIMQO-CQSZACIVSA-N 2 0 335.879 3.133 20 0 EGADRP [NH3+]C[C@@H](CN1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301779 458609224 /nfs/dbraw/zinc/60/92/24/458609224.db2.gz LIDFMSBGXGKTIU-QUCCMNQESA-N 2 0 347.522 3.456 20 0 EGADRP [NH3+]C[C@H](CN1CC[NH2+]C[C@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000424307984 458612044 /nfs/dbraw/zinc/61/20/44/458612044.db2.gz YZRZWDLPGTZEPG-BEFAXECRSA-N 2 0 347.865 3.168 20 0 EGADRP Cc1nccn1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000494044349 458619858 /nfs/dbraw/zinc/61/98/58/458619858.db2.gz OVXBCBBZZWGYRS-SJPCQFCGSA-N 2 0 348.491 3.054 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000431773143 458620941 /nfs/dbraw/zinc/62/09/41/458620941.db2.gz AHFDVSYRUYRBDJ-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP COC1CC([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000470176669 458621398 /nfs/dbraw/zinc/62/13/98/458621398.db2.gz MULSVEWFCVHGEL-UHFFFAOYSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cn(C)nc1-c1cccs1)CC[NH2+]CC2 ZINC000424368961 458626793 /nfs/dbraw/zinc/62/67/93/458626793.db2.gz AXXAWCXAXKENFM-AWEZNQCLSA-N 2 0 330.501 3.113 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)ccc2n1 ZINC000424374326 458627520 /nfs/dbraw/zinc/62/75/20/458627520.db2.gz IGXFLAZHLXFGRU-UHFFFAOYSA-N 2 0 347.466 3.180 20 0 EGADRP CSc1cc2c(cc1C[N@@H+]1CC3(C[C@@H]1C)CC[NH2+]CC3)OCCO2 ZINC000424370475 458628298 /nfs/dbraw/zinc/62/82/98/458628298.db2.gz COELAIGEQBQEIW-AWEZNQCLSA-N 2 0 348.512 3.144 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456309063 458636753 /nfs/dbraw/zinc/63/67/53/458636753.db2.gz JIAKRQWJIFPYLP-BEFAXECRSA-N 2 0 329.488 3.439 20 0 EGADRP CCCN(CC[C@H]1CCC[N@@H+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066007 458690439 /nfs/dbraw/zinc/69/04/39/458690439.db2.gz XIEOLXAZGZFFGB-QGZVFWFLSA-N 2 0 337.895 3.475 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432252527 458705455 /nfs/dbraw/zinc/70/54/55/458705455.db2.gz ZAOPABWYNSFSLU-CYBMUJFWSA-N 2 0 349.277 3.459 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@@H]3CCC[C@H]([NH3+])C3)CC2)c(OC)c1 ZINC000530213709 458717809 /nfs/dbraw/zinc/71/78/09/458717809.db2.gz VKVUAERALDEIBL-JKSUJKDBSA-N 2 0 348.487 3.162 20 0 EGADRP FC(F)(F)c1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243762 458729165 /nfs/dbraw/zinc/72/91/65/458729165.db2.gz YMFCGSKERQSEQG-MRXNPFEDSA-N 2 0 342.405 3.296 20 0 EGADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000471780047 458729231 /nfs/dbraw/zinc/72/92/31/458729231.db2.gz KJOQINBWKUOMFA-HSALFYBXSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000503946616 458731996 /nfs/dbraw/zinc/73/19/96/458731996.db2.gz QZJLHBPOFLOFDM-QGZVFWFLSA-N 2 0 342.572 3.113 20 0 EGADRP CCc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000432855382 458802201 /nfs/dbraw/zinc/80/22/01/458802201.db2.gz RETKLWMIRGBMSL-INIZCTEOSA-N 2 0 327.472 3.132 20 0 EGADRP Cc1ccccc1CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000440316713 458803176 /nfs/dbraw/zinc/80/31/76/458803176.db2.gz OECDHWFYKKVQSN-UHFFFAOYSA-N 2 0 330.516 3.362 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000433038430 458830445 /nfs/dbraw/zinc/83/04/45/458830445.db2.gz GSXKUDIPCKSJIB-ZTNFWEORSA-N 2 0 328.500 3.492 20 0 EGADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000548064674 458831993 /nfs/dbraw/zinc/83/19/93/458831993.db2.gz XNPSTNSVOSSABI-MSOLQXFVSA-N 2 0 349.563 3.410 20 0 EGADRP COC(=O)c1ccccc1CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548159166 458847627 /nfs/dbraw/zinc/84/76/27/458847627.db2.gz CBMREMDXDPNRSC-UHFFFAOYSA-N 2 0 332.488 3.068 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474462867 458887414 /nfs/dbraw/zinc/88/74/14/458887414.db2.gz VVNDPWNVJGUUEH-BRWVUGGUSA-N 2 0 337.939 3.448 20 0 EGADRP O=C(CC[NH2+]CCCCC[NH+]1CCCCC1)Nc1cccc(F)c1 ZINC000518759127 458889299 /nfs/dbraw/zinc/88/92/99/458889299.db2.gz KFIRMQOJYGFEDN-UHFFFAOYSA-N 2 0 335.467 3.400 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3COc4ccccc4C3)C2)cc1 ZINC000556075665 458926088 /nfs/dbraw/zinc/92/60/88/458926088.db2.gz BVGTXNZEVJOSIC-PZJWPPBQSA-N 2 0 336.479 3.144 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000531689499 458961293 /nfs/dbraw/zinc/96/12/93/458961293.db2.gz KTCVOYCWVKGVFL-ICSRJNTNSA-N 2 0 348.531 3.273 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879820 458990128 /nfs/dbraw/zinc/99/01/28/458990128.db2.gz WJMDGWMZICUPKC-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000495885851 458993005 /nfs/dbraw/zinc/99/30/05/458993005.db2.gz NXCKKVOBMHOZBQ-OAGGEKHMSA-N 2 0 331.460 3.024 20 0 EGADRP C[C@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC000566792311 459001106 /nfs/dbraw/zinc/00/11/06/459001106.db2.gz RCSKDWNEJRTMNM-CQSZACIVSA-N 2 0 339.430 3.005 20 0 EGADRP c1ccc(CN2CC[NH+](CCCC[NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000531955349 459006991 /nfs/dbraw/zinc/00/69/91/459006991.db2.gz MPJFCHIUEIRRRF-UHFFFAOYSA-N 2 0 341.543 3.363 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000566836349 459008182 /nfs/dbraw/zinc/00/81/82/459008182.db2.gz WDZBZOAICKFIRQ-HNNXBMFYSA-N 2 0 328.909 3.435 20 0 EGADRP COc1ccccc1C[N@H+](CCCc1cncn1C)C[C@@H]1CCCO1 ZINC000566863388 459011996 /nfs/dbraw/zinc/01/19/96/459011996.db2.gz VVDWXYBDLRBUIP-IBGZPJMESA-N 2 0 343.471 3.043 20 0 EGADRP Cc1cnc2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)ccn12 ZINC000519830027 459013350 /nfs/dbraw/zinc/01/33/50/459013350.db2.gz AIGROCDOOSKBOD-UHFFFAOYSA-N 2 0 340.471 3.170 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495951794 459017360 /nfs/dbraw/zinc/01/73/60/459017360.db2.gz SAOQHRPEFKMMLF-IBGZPJMESA-N 2 0 339.524 3.098 20 0 EGADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476982806 459024894 /nfs/dbraw/zinc/02/48/94/459024894.db2.gz KKJLCYMGVGJLDK-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3C(C)(C)C)CC2)C1 ZINC000556898123 459029669 /nfs/dbraw/zinc/02/96/69/459029669.db2.gz GWOJXLTWKPQUQP-ZCDKGFTFSA-N 2 0 349.563 3.312 20 0 EGADRP C[NH+](C)CCCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000556940507 459035040 /nfs/dbraw/zinc/03/50/40/459035040.db2.gz YUXUXXOJJOWSEW-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP COc1ccc2c(c1)OC[C@@H](N[C@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000567041517 459038877 /nfs/dbraw/zinc/03/88/77/459038877.db2.gz JNDWQKWNVFUKOO-PZJWPPBQSA-N 2 0 348.446 3.442 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000567048731 459039983 /nfs/dbraw/zinc/03/99/83/459039983.db2.gz PEYAHZXSLOFYCL-HOTGVXAUSA-N 2 0 326.488 3.441 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000532188415 459043415 /nfs/dbraw/zinc/04/34/15/459043415.db2.gz IBJZYJLXFTWBGV-FXAWDEMLSA-N 2 0 343.515 3.437 20 0 EGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(Cl)c1 ZINC000442870704 459048373 /nfs/dbraw/zinc/04/83/73/459048373.db2.gz GWLAKOOJSCDGBL-ZDUSSCGKSA-N 2 0 327.875 3.156 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1(C)C ZINC000442878706 459049748 /nfs/dbraw/zinc/04/97/48/459049748.db2.gz ULUJKNJPUXRQQT-VQTJNVASSA-N 2 0 329.532 3.328 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881428 459051094 /nfs/dbraw/zinc/05/10/94/459051094.db2.gz ZKODPGAVNGUUQN-FQEVSTJZSA-N 2 0 331.548 3.259 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000557171441 459054348 /nfs/dbraw/zinc/05/43/48/459054348.db2.gz ONLIHYRHCXSSGR-VQTJNVASSA-N 2 0 339.483 3.406 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000442924637 459061255 /nfs/dbraw/zinc/06/12/55/459061255.db2.gz SMEDGUUNEOZQNX-KRWDZBQOSA-N 2 0 325.456 3.221 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000496162720 459093704 /nfs/dbraw/zinc/09/37/04/459093704.db2.gz WUFTVGUAXSLDFU-MSOLQXFVSA-N 2 0 325.412 3.142 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000590182595 459099877 /nfs/dbraw/zinc/09/98/77/459099877.db2.gz MLSANKQIKLWKQA-LPHOPBHVSA-N 2 0 336.520 3.353 20 0 EGADRP CSc1ccc(NC(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000532540416 459107146 /nfs/dbraw/zinc/10/71/46/459107146.db2.gz BNMPVMWWLWWIKX-UHFFFAOYSA-N 2 0 349.544 3.399 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000577963869 459124980 /nfs/dbraw/zinc/12/49/80/459124980.db2.gz QWCBRBRDTBQRIS-SCTDSRPQSA-N 2 0 331.504 3.082 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000496284136 459135490 /nfs/dbraw/zinc/13/54/90/459135490.db2.gz NNPBXGZAXWSYQM-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000479464043 459141819 /nfs/dbraw/zinc/14/18/19/459141819.db2.gz KPPVFSAFSYPTAC-TZIWHRDSSA-N 2 0 336.479 3.492 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC2CC[NH+](C(C)C)CC2)c1 ZINC000558292612 459145469 /nfs/dbraw/zinc/14/54/69/459145469.db2.gz HHMICGAPBSWZFM-UHFFFAOYSA-N 2 0 346.519 3.252 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)C(C)(C)C ZINC000567689332 459145797 /nfs/dbraw/zinc/14/57/97/459145797.db2.gz IAGKYKXYSPHVCK-RHSMWYFYSA-N 2 0 342.911 3.036 20 0 EGADRP CC1CC[NH+](CCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000558477764 459164615 /nfs/dbraw/zinc/16/46/15/459164615.db2.gz IWRGCKYPIYLUJG-FGZHOGPDSA-N 2 0 341.543 3.172 20 0 EGADRP CCOC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)[nH]c1C ZINC000590638744 459169215 /nfs/dbraw/zinc/16/92/15/459169215.db2.gz HLDZSZDZTFZIJR-UHFFFAOYSA-N 2 0 335.492 3.052 20 0 EGADRP CSCC1CCC(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000590647103 459171209 /nfs/dbraw/zinc/17/12/09/459171209.db2.gz BCAYDRJZVLEXRH-UHFFFAOYSA-N 2 0 334.533 3.167 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000480378837 459196259 /nfs/dbraw/zinc/19/62/59/459196259.db2.gz OQPCTWDAWKCCEN-APWZRJJASA-N 2 0 345.531 3.106 20 0 EGADRP CCCCN(C(=O)C[NH+](CC)CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000522009808 459203937 /nfs/dbraw/zinc/20/39/37/459203937.db2.gz QTDUHMNYCMPDJG-UHFFFAOYSA-N 2 0 325.541 3.266 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000480922320 459223793 /nfs/dbraw/zinc/22/37/93/459223793.db2.gz WOOVAVZRYMWZQW-YSTOQKLRSA-N 2 0 340.552 3.308 20 0 EGADRP CC(C[NH+]1CCC(OC(C)C)CC1)C[NH+]1CCC(OC(C)C)CC1 ZINC000533475637 459240436 /nfs/dbraw/zinc/24/04/36/459240436.db2.gz CVHBRSCPSCLHKW-UHFFFAOYSA-N 2 0 340.552 3.401 20 0 EGADRP Cc1cnc2cc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)ccn12 ZINC000568193326 459245209 /nfs/dbraw/zinc/24/52/09/459245209.db2.gz GEXGMNBQSSTGPX-OAHLLOKOSA-N 2 0 328.460 3.027 20 0 EGADRP COC(=O)c1cccc(C[N@H+](C)C2CCC2)c1C[NH+](C)C1CCC1 ZINC000595327599 459277374 /nfs/dbraw/zinc/27/73/74/459277374.db2.gz QEIKRWIWHPNVEZ-UHFFFAOYSA-N 2 0 330.472 3.442 20 0 EGADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000560343687 459326764 /nfs/dbraw/zinc/32/67/64/459326764.db2.gz UGROGMONNMZITC-APWZRJJASA-N 2 0 345.531 3.298 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000524156146 459349473 /nfs/dbraw/zinc/34/94/73/459349473.db2.gz NBEKNNPGZLYZQB-SFHVURJKSA-N 2 0 345.531 3.086 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000496870257 459352670 /nfs/dbraw/zinc/35/26/70/459352670.db2.gz HLKMQRDVFQMPFA-RCCFBDPRSA-N 2 0 345.487 3.147 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000591418036 459375076 /nfs/dbraw/zinc/37/50/76/459375076.db2.gz DFQOGMYXJSECNI-LJQANCHMSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)CC1 ZINC000540748557 459385317 /nfs/dbraw/zinc/38/53/17/459385317.db2.gz QFAGRXCBUGFYFW-DBXWQHBBSA-N 2 0 344.547 3.358 20 0 EGADRP CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000483861914 459396145 /nfs/dbraw/zinc/39/61/45/459396145.db2.gz PUADSUFAYMMFCJ-QKYXUNIQSA-N 2 0 334.504 3.481 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000497027923 459410681 /nfs/dbraw/zinc/41/06/81/459410681.db2.gz LMNKZBMUMBYRSF-MRXNPFEDSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000497027922 459411009 /nfs/dbraw/zinc/41/10/09/459411009.db2.gz LMNKZBMUMBYRSF-INIZCTEOSA-N 2 0 339.524 3.001 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC12CCOCC2 ZINC000582725145 459416877 /nfs/dbraw/zinc/41/68/77/459416877.db2.gz GSMZXJOPFHWDKV-HNNXBMFYSA-N 2 0 345.874 3.076 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000582887310 459444889 /nfs/dbraw/zinc/44/48/89/459444889.db2.gz OFJIBGLIILQVMU-ATZDWAIDSA-N 2 0 336.907 3.362 20 0 EGADRP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000561532090 459462786 /nfs/dbraw/zinc/46/27/86/459462786.db2.gz MVUAZBJUILIHFU-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP CN(C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)C1CC1 ZINC000569652024 459486351 /nfs/dbraw/zinc/48/63/51/459486351.db2.gz NKBHPFREBWYGSL-HXUWFJFHSA-N 2 0 334.479 3.416 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[NH+](C)C)cc1 ZINC000542486408 459561541 /nfs/dbraw/zinc/56/15/41/459561541.db2.gz HZXKSMVNNCBUDU-CRAIPNDOSA-N 2 0 333.520 3.135 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000527197820 459605491 /nfs/dbraw/zinc/60/54/91/459605491.db2.gz OOAXRQVNQQIIMG-UTKZUKDTSA-N 2 0 329.532 3.450 20 0 EGADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000592491623 459613652 /nfs/dbraw/zinc/61/36/52/459613652.db2.gz BIWJNFKFJFQHAU-GJZGRUSLSA-N 2 0 336.501 3.055 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000584111569 459658495 /nfs/dbraw/zinc/65/84/95/459658495.db2.gz KKTKTBIWBBUVJJ-NRFANRHFSA-N 2 0 349.478 3.150 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527658349 459688443 /nfs/dbraw/zinc/68/84/43/459688443.db2.gz XHFCKINDCRTVIK-GIVPXCGWSA-N 2 0 329.532 3.328 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@]2(C)CCCc3ccccc32)CC1 ZINC000501050346 459708852 /nfs/dbraw/zinc/70/88/52/459708852.db2.gz AIOPDBVGUAJJQM-OAQYLSRUSA-N 2 0 329.532 3.244 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000573713369 459723482 /nfs/dbraw/zinc/72/34/82/459723482.db2.gz OSYDEFSQTUSXOV-UHFFFAOYSA-N 2 0 333.451 3.069 20 0 EGADRP CCCN1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000573714303 459724105 /nfs/dbraw/zinc/72/41/05/459724105.db2.gz WBDCWPJNUAIZHD-IRXDYDNUSA-N 2 0 344.421 3.073 20 0 EGADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000573739733 459726941 /nfs/dbraw/zinc/72/69/41/459726941.db2.gz CICQDHSRNMSTMJ-MRXNPFEDSA-N 2 0 329.444 3.077 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544577607 459769750 /nfs/dbraw/zinc/76/97/50/459769750.db2.gz LKFQBOAQRAQVLA-QPCUUSJWSA-N 2 0 333.564 3.209 20 0 EGADRP COc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(F)c1 ZINC000574164596 459786752 /nfs/dbraw/zinc/78/67/52/459786752.db2.gz UNSFAAZUXQBNCX-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP C[C@](O)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000566088617 459803550 /nfs/dbraw/zinc/80/35/50/459803550.db2.gz JQVGGUUMFFBJOX-SESVDKBCSA-N 2 0 344.499 3.163 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566092278 459803974 /nfs/dbraw/zinc/80/39/74/459803974.db2.gz XXEWLQLZSNEYEZ-VWPFQQQWSA-N 2 0 335.879 3.035 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000574332872 459806738 /nfs/dbraw/zinc/80/67/38/459806738.db2.gz WNLILNVCQHDMAR-QGZVFWFLSA-N 2 0 345.531 3.123 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000566108639 459806686 /nfs/dbraw/zinc/80/66/86/459806686.db2.gz HEUMTSWHXHREGL-OAHLLOKOSA-N 2 0 337.895 3.379 20 0 EGADRP C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc2ccccc2c1 ZINC000574630733 459843632 /nfs/dbraw/zinc/84/36/32/459843632.db2.gz QXFJUULCNFAYRV-CQSZACIVSA-N 2 0 335.455 3.276 20 0 EGADRP CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@H](O)CN(C)C3CC3)C2)cc1 ZINC000574725715 459861145 /nfs/dbraw/zinc/86/11/45/459861145.db2.gz PJSIQWKVYZMTLY-GHTZIAJQSA-N 2 0 330.516 3.130 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000574804183 459874739 /nfs/dbraw/zinc/87/47/39/459874739.db2.gz SCMLCDUCVDJECW-ZDUSSCGKSA-N 2 0 325.884 3.235 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000593680689 459949365 /nfs/dbraw/zinc/94/93/65/459949365.db2.gz NDLVOYLMNKJZCS-NRFANRHFSA-N 2 0 346.515 3.360 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000621641544 459994020 /nfs/dbraw/zinc/99/40/20/459994020.db2.gz NOZCZHKUQJKXHY-GOSISDBHSA-N 2 0 343.515 3.069 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000621645596 459996058 /nfs/dbraw/zinc/99/60/58/459996058.db2.gz ILMFLVJAVTUMBQ-DLBZAZTESA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H](C[S@](C)=O)[N@H+](C)[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616587 460024589 /nfs/dbraw/zinc/02/45/89/460024589.db2.gz WDFPFEFIJOBBTK-OOULBGLYSA-N 2 0 334.529 3.053 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)c2ccccc21 ZINC000621750349 460047431 /nfs/dbraw/zinc/04/74/31/460047431.db2.gz NREWLZDSBCSHIP-QFBILLFUSA-N 2 0 329.488 3.196 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000621749965 460047835 /nfs/dbraw/zinc/04/78/35/460047835.db2.gz FYWAJHSEFJUPRH-FQEVSTJZSA-N 2 0 337.467 3.336 20 0 EGADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000614331508 460099843 /nfs/dbraw/zinc/09/98/43/460099843.db2.gz QRVPSOHEISFETA-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP COC(=O)CC1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000599041619 460136904 /nfs/dbraw/zinc/13/69/04/460136904.db2.gz FVGNBFZOIZOSBN-NALMEZQBSA-N 2 0 336.520 3.351 20 0 EGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000576628449 460180552 /nfs/dbraw/zinc/18/05/52/460180552.db2.gz ZBYMIWSUSWPQGY-QFIPXVFZSA-N 2 0 338.495 3.207 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599310370 460224861 /nfs/dbraw/zinc/22/48/61/460224861.db2.gz WKUZYXROTLSRAF-YLJYHZDGSA-N 2 0 343.515 3.019 20 0 EGADRP CSC[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611274721 460325119 /nfs/dbraw/zinc/32/51/19/460325119.db2.gz MYAJGELXCNKOIW-SFHVURJKSA-N 2 0 334.529 3.489 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000615462738 460332721 /nfs/dbraw/zinc/33/27/21/460332721.db2.gz FPWYINQCMKDCDN-HXUWFJFHSA-N 2 0 348.531 3.015 20 0 EGADRP Cc1ccc([C@H](C)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000600120176 460391196 /nfs/dbraw/zinc/39/11/96/460391196.db2.gz JBTIYYWSLFDUPG-CTNGQTDRSA-N 2 0 329.532 3.199 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1)C(C)C ZINC000634761442 460512956 /nfs/dbraw/zinc/51/29/56/460512956.db2.gz BNPBKJCRYQECHO-IBGZPJMESA-N 2 0 345.531 3.425 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635325316 460745780 /nfs/dbraw/zinc/74/57/80/460745780.db2.gz NIJDXAZFVCJNLD-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623889523 460764262 /nfs/dbraw/zinc/76/42/62/460764262.db2.gz PAGPDQVYOSFHMO-QWHCGFSZSA-N 2 0 347.400 3.131 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc2c1 ZINC000629538018 460800754 /nfs/dbraw/zinc/80/07/54/460800754.db2.gz NNKPHONLRXSHEU-TZIWHRDSSA-N 2 0 339.483 3.262 20 0 EGADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000629543653 460803054 /nfs/dbraw/zinc/80/30/54/460803054.db2.gz COAAPWUMMIAVOE-AWEZNQCLSA-N 2 0 327.394 3.312 20 0 EGADRP O[C@H](C[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000629564001 460811320 /nfs/dbraw/zinc/81/13/20/460811320.db2.gz JANUFPWVOLUCGT-FGZHOGPDSA-N 2 0 338.495 3.059 20 0 EGADRP C[N@H+](Cc1ccccc1NC[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000629583025 460814114 /nfs/dbraw/zinc/81/41/14/460814114.db2.gz ZVUSRCCDFXWURA-HXUWFJFHSA-N 2 0 345.531 3.320 20 0 EGADRP c1nc2c(s1)CCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000624011457 460820924 /nfs/dbraw/zinc/82/09/24/460820924.db2.gz ANNSWUVTDYRYGH-QGZVFWFLSA-N 2 0 342.512 3.417 20 0 EGADRP Cc1csc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000624012237 460821149 /nfs/dbraw/zinc/82/11/49/460821149.db2.gz USYQLAPTLBBQOD-HNNXBMFYSA-N 2 0 330.501 3.409 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000635564824 460832599 /nfs/dbraw/zinc/83/25/99/460832599.db2.gz KRFHZWUPIXLFTI-GGPKGHCWSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000635563556 460833420 /nfs/dbraw/zinc/83/34/20/460833420.db2.gz YTQWFGJOSLDJAV-QZTJIDSGSA-N 2 0 343.515 3.108 20 0 EGADRP COc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1OC ZINC000629693381 460867684 /nfs/dbraw/zinc/86/76/84/460867684.db2.gz GRSYFKHPOUOZKO-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000624123445 460872372 /nfs/dbraw/zinc/87/23/72/460872372.db2.gz MASPYHVBNLZFAU-NEPJUHHUSA-N 2 0 344.272 3.366 20 0 EGADRP C[NH+](C)CCc1ccc(-c2ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc2)cc1 ZINC000629732692 460893633 /nfs/dbraw/zinc/89/36/33/460893633.db2.gz WOVXYJDFCIRRNP-NRFANRHFSA-N 2 0 346.478 3.416 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)C1CC[NH+](C)CC1 ZINC000624224864 460918929 /nfs/dbraw/zinc/91/89/29/460918929.db2.gz CCPSVQMAUPAYHN-BBRMVZONSA-N 2 0 339.886 3.378 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000617922659 461022437 /nfs/dbraw/zinc/02/24/37/461022437.db2.gz POEXYDZZEZJXOO-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP Cc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)ncc1Br ZINC000628183692 461035259 /nfs/dbraw/zinc/03/52/59/461035259.db2.gz KEOPNTJSGOLGRB-OAHLLOKOSA-N 2 0 340.309 3.459 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000628210330 461049701 /nfs/dbraw/zinc/04/97/01/461049701.db2.gz ROCVTBMCYSRGGG-GOSISDBHSA-N 2 0 329.532 3.247 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000628234252 461056250 /nfs/dbraw/zinc/05/62/50/461056250.db2.gz RONHBJMYFROKFC-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348982 461141898 /nfs/dbraw/zinc/14/18/98/461141898.db2.gz XXJMVRNHRSBRRY-UFYCRDLUSA-N 2 0 346.515 3.291 20 0 EGADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349198 461142627 /nfs/dbraw/zinc/14/26/27/461142627.db2.gz FJXFCGQNJPOXMO-FXUDXRNXSA-N 2 0 335.492 3.251 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(-c4cccs4)on3)C2)C1 ZINC000652346584 461142985 /nfs/dbraw/zinc/14/29/85/461142985.db2.gz ASUOLZBMBCJNBH-IIAWOOMASA-N 2 0 347.484 3.121 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000652349292 461143186 /nfs/dbraw/zinc/14/31/86/461143186.db2.gz JHYYIXCQGNZYFX-XGWLTEMNSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@@H]1CCC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)[C@@H]1CC[NH3+] ZINC000652354017 461150025 /nfs/dbraw/zinc/15/00/25/461150025.db2.gz KMGLHBMHXGFBOI-LSTHTHJFSA-N 2 0 343.515 3.020 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCc2c(F)cccc2Cl)C1 ZINC000652362371 461153966 /nfs/dbraw/zinc/15/39/66/461153966.db2.gz FQNUBKHBGIUURT-FSPWUOQZSA-N 2 0 340.870 3.382 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000662279955 461163442 /nfs/dbraw/zinc/16/34/42/461163442.db2.gz BLHSUTHXRTVGDY-WMQCIHAUSA-N 2 0 328.500 3.325 20 0 EGADRP CO[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000638023471 461203781 /nfs/dbraw/zinc/20/37/81/461203781.db2.gz NYCZDDUFMKZTDB-QUCCMNQESA-N 2 0 338.536 3.016 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@@H]([NH2+]C(C)C)C3)c2cc1OC ZINC000665696661 461213927 /nfs/dbraw/zinc/21/39/27/461213927.db2.gz VFJUKQGDCFCZTC-CQSZACIVSA-N 2 0 329.444 3.219 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000638050781 461214414 /nfs/dbraw/zinc/21/44/14/461214414.db2.gz RQIKYUOXKNZSTL-HIFRSBDPSA-N 2 0 338.521 3.077 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](NC)c1cccc(Cl)c1Cl ZINC000662439869 461242334 /nfs/dbraw/zinc/24/23/34/461242334.db2.gz QNSLMKOXCSIYAJ-ABAIWWIYSA-N 2 0 346.302 3.100 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000636674963 461247231 /nfs/dbraw/zinc/24/72/31/461247231.db2.gz SPISPKNQVFCXHU-UHFFFAOYSA-N 2 0 343.515 3.234 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646427088 461253183 /nfs/dbraw/zinc/25/31/83/461253183.db2.gz JXSSWMICSKQXHM-NRFANRHFSA-N 2 0 349.478 3.150 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000662497256 461269812 /nfs/dbraw/zinc/26/98/12/461269812.db2.gz HABRPPVOUCVXQR-PBEJRMEISA-N 2 0 349.478 3.000 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000662512245 461277233 /nfs/dbraw/zinc/27/72/33/461277233.db2.gz ZAFWEWLCNGJGMF-MOPGFXCFSA-N 2 0 329.488 3.027 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000668511268 461308292 /nfs/dbraw/zinc/30/82/92/461308292.db2.gz DXZXWJJKMBOHML-OALUTQOASA-N 2 0 333.545 3.413 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)C1 ZINC000662676491 461343338 /nfs/dbraw/zinc/34/33/38/461343338.db2.gz XJXWTHJTMBJVNI-MAUKXSAKSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675407 461343560 /nfs/dbraw/zinc/34/35/60/461343560.db2.gz MWYYZIVWMZERCM-MAUKXSAKSA-N 2 0 329.488 3.388 20 0 EGADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662698429 461351601 /nfs/dbraw/zinc/35/16/01/461351601.db2.gz MFFGVTZFNTXHQS-LJQANCHMSA-N 2 0 343.515 3.067 20 0 EGADRP CCn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000641761218 461356913 /nfs/dbraw/zinc/35/69/13/461356913.db2.gz PZMFRVPVYFFCPM-KRWDZBQOSA-N 2 0 326.488 3.392 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3nsc4ccccc43)CC2)C1 ZINC000641799950 461377186 /nfs/dbraw/zinc/37/71/86/461377186.db2.gz UEQDNOHFXVGMSH-RHSMWYFYSA-N 2 0 331.485 3.015 20 0 EGADRP c1ccc([C@@H]2C[C@H](NC[C@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638360635 461385305 /nfs/dbraw/zinc/38/53/05/461385305.db2.gz XQMQOVCSRINWDI-JUXOCIIHSA-N 2 0 339.527 3.428 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N(C)CCCC[NH+]2CCCCC2)cc1 ZINC000641817491 461387910 /nfs/dbraw/zinc/38/79/10/461387910.db2.gz IEFPMRLTURNVBZ-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)CCCC[NH+]2CCCCC2)c1 ZINC000641819809 461389452 /nfs/dbraw/zinc/38/94/52/461389452.db2.gz WMXXGMNOWVOZHC-UHFFFAOYSA-N 2 0 332.492 3.184 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)o1 ZINC000646749639 461394910 /nfs/dbraw/zinc/39/49/10/461394910.db2.gz XCNKVNRNPBNWBX-UHFFFAOYSA-N 2 0 327.428 3.019 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000638404127 461410628 /nfs/dbraw/zinc/41/06/28/461410628.db2.gz SXZHXUFDFYNLRB-UHFFFAOYSA-N 2 0 338.923 3.443 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(CC[NH+]3C[C@@H](C)C[C@H](C)C3)C2)CC1 ZINC000659863146 461465700 /nfs/dbraw/zinc/46/57/00/461465700.db2.gz GPSQAPXCXPTHCK-PCCBWWKXSA-N 2 0 335.580 3.408 20 0 EGADRP CC(C)CNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000659878873 461478513 /nfs/dbraw/zinc/47/85/13/461478513.db2.gz RIXVEJVAJSPKHD-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]([NH2+]CCC1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638567467 461489876 /nfs/dbraw/zinc/48/98/76/461489876.db2.gz MOJKDLIAJIRMES-INIZCTEOSA-N 2 0 349.494 3.045 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638608196 461503471 /nfs/dbraw/zinc/50/34/71/461503471.db2.gz BVBUTUIPHUXWDP-QGZVFWFLSA-N 2 0 338.923 3.486 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000638609228 461503542 /nfs/dbraw/zinc/50/35/42/461503542.db2.gz IZZCFDCRDCNJAY-NHCUHLMSSA-N 2 0 346.515 3.204 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(NC(C)=O)c2)c1 ZINC000631065428 461516344 /nfs/dbraw/zinc/51/63/44/461516344.db2.gz RUJSWWOTEPOJIU-UHFFFAOYSA-N 2 0 325.456 3.387 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659983214 461529251 /nfs/dbraw/zinc/52/92/51/461529251.db2.gz GZNLNKFLJOIMSY-SFHVURJKSA-N 2 0 347.528 3.296 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631090068 461539413 /nfs/dbraw/zinc/53/94/13/461539413.db2.gz HAXTXJNSAKALBJ-IGOJGBNBSA-N 2 0 325.456 3.033 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000631103844 461554306 /nfs/dbraw/zinc/55/43/06/461554306.db2.gz BQGASHZKLKCFPR-UHFFFAOYSA-N 2 0 338.455 3.046 20 0 EGADRP CCCCC[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653200845 461555721 /nfs/dbraw/zinc/55/57/21/461555721.db2.gz RRLZOFFTYRZYNI-HXUWFJFHSA-N 2 0 345.531 3.185 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000631109600 461559553 /nfs/dbraw/zinc/55/95/53/461559553.db2.gz GDIWRRSODIVDKA-FQEVSTJZSA-N 2 0 342.458 3.381 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1OC ZINC000663346663 461577766 /nfs/dbraw/zinc/57/77/66/461577766.db2.gz CBJCVJOAXRNGFS-SFHVURJKSA-N 2 0 332.488 3.306 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346590 461578031 /nfs/dbraw/zinc/57/80/31/461578031.db2.gz WCVCAZZJLZUVRK-INIZCTEOSA-N 2 0 342.462 3.427 20 0 EGADRP CCC(CC)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000660118539 461590241 /nfs/dbraw/zinc/59/02/41/461590241.db2.gz CXAAILJFMFCVHR-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)C1 ZINC000643083089 461604170 /nfs/dbraw/zinc/60/41/70/461604170.db2.gz UQCZJGXXBPHIFJ-FXAWDEMLSA-N 2 0 341.455 3.060 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000631185084 461623081 /nfs/dbraw/zinc/62/30/81/461623081.db2.gz GKZPZZBQDXABEW-RTWAWAEBSA-N 2 0 340.467 3.247 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000638861649 461623162 /nfs/dbraw/zinc/62/31/62/461623162.db2.gz DDVZGCOVSXPRQZ-KRWDZBQOSA-N 2 0 349.906 3.207 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000638861650 461623693 /nfs/dbraw/zinc/62/36/93/461623693.db2.gz DDVZGCOVSXPRQZ-QGZVFWFLSA-N 2 0 349.906 3.207 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000656197749 461642967 /nfs/dbraw/zinc/64/29/67/461642967.db2.gz HOFROVMSFOPIKT-UKRRQHHQSA-N 2 0 330.501 3.125 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660244303 461660653 /nfs/dbraw/zinc/66/06/53/461660653.db2.gz PFZMTFZNFLLAGK-VAMGGRTRSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](CCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638984189 461670075 /nfs/dbraw/zinc/67/00/75/461670075.db2.gz JPZFFYJWCOLBAQ-INIZCTEOSA-N 2 0 338.455 3.014 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCCC13CC[NH+](C)CC3)CC2 ZINC000639082330 461715434 /nfs/dbraw/zinc/71/54/34/461715434.db2.gz PPQPQOVBNIVISI-KRWDZBQOSA-N 2 0 330.472 3.251 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CO)CC2CCCCC2)cc1 ZINC000669576949 461728555 /nfs/dbraw/zinc/72/85/55/461728555.db2.gz AHXZJIMNIUTSCY-LJQANCHMSA-N 2 0 334.504 3.048 20 0 EGADRP FC(F)(F)COc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647483008 461730711 /nfs/dbraw/zinc/73/07/11/461730711.db2.gz QYFXDELCBDUXJQ-UHFFFAOYSA-N 2 0 328.378 3.344 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000647483313 461731035 /nfs/dbraw/zinc/73/10/35/461731035.db2.gz VMMXUXZTQPXWGC-LJQANCHMSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455559 461732930 /nfs/dbraw/zinc/73/29/30/461732930.db2.gz VCGWFADHJWSGRW-UNEWFSDZSA-N 2 0 341.421 3.262 20 0 EGADRP CC(C)O[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000639116314 461736950 /nfs/dbraw/zinc/73/69/50/461736950.db2.gz FFQMRPFRIKZXRT-AZUAARDMSA-N 2 0 334.504 3.243 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643522523 461751585 /nfs/dbraw/zinc/75/15/85/461751585.db2.gz OKSUJQOZUSCFMQ-AZUAARDMSA-N 2 0 325.456 3.106 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534074 461754460 /nfs/dbraw/zinc/75/44/60/461754460.db2.gz KTKBXCPDYRNNGN-PBHICJAKSA-N 2 0 330.476 3.009 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)nnn1-c1ccc(Cl)cc1 ZINC000643534858 461754780 /nfs/dbraw/zinc/75/47/80/461754780.db2.gz DTIRSILAVCPFFZ-WBMJQRKESA-N 2 0 345.878 3.022 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000643537138 461756069 /nfs/dbraw/zinc/75/60/69/461756069.db2.gz ZYKQZMICEZCTKH-XHDPSFHLSA-N 2 0 339.277 3.250 20 0 EGADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543158 461756106 /nfs/dbraw/zinc/75/61/06/461756106.db2.gz IIPIQZFNMXVJAJ-UXHICEINSA-N 2 0 338.499 3.143 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535773 461756810 /nfs/dbraw/zinc/75/68/10/461756810.db2.gz JAYMYJHMOGDCPT-PMACEKPBSA-N 2 0 337.467 3.106 20 0 EGADRP CCn1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC000647543348 461756776 /nfs/dbraw/zinc/75/67/76/461756776.db2.gz LOUYNGGRTDQLMV-SJORKVTESA-N 2 0 326.488 3.268 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543368 461757507 /nfs/dbraw/zinc/75/75/07/461757507.db2.gz LWIOYUUOJZUVKD-SFTDATJTSA-N 2 0 338.499 3.143 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000647550677 461762816 /nfs/dbraw/zinc/76/28/16/461762816.db2.gz ANEFSFCNKSWUSZ-MRVWCRGKSA-N 2 0 328.378 3.192 20 0 EGADRP CC[C@H](C)[C@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)OC ZINC000639146331 461763044 /nfs/dbraw/zinc/76/30/44/461763044.db2.gz HRECBYPXWPVTTJ-JXFKEZNVSA-N 2 0 334.504 3.310 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660447920 461785647 /nfs/dbraw/zinc/78/56/47/461785647.db2.gz KSYOGNQQWCWIFM-BLKABHOGSA-N 2 0 341.543 3.028 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000639220944 461811839 /nfs/dbraw/zinc/81/18/39/461811839.db2.gz ZOFLIUOPYAKKOL-ICSRJNTNSA-N 2 0 330.516 3.395 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788300 461835369 /nfs/dbraw/zinc/83/53/69/461835369.db2.gz HIGVJYQAFIJXOZ-HSALFYBXSA-N 2 0 338.499 3.026 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788585 461835416 /nfs/dbraw/zinc/83/54/16/461835416.db2.gz MNFPUBLJLHJFRG-PCCBWWKXSA-N 3 0 327.516 3.150 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647789586 461835785 /nfs/dbraw/zinc/83/57/85/461835785.db2.gz HNIXATZITOBOFK-QTPAZIJBSA-N 3 0 341.543 3.396 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788302 461835826 /nfs/dbraw/zinc/83/58/26/461835826.db2.gz HIGVJYQAFIJXOZ-VAMGGRTRSA-N 2 0 338.499 3.026 20 0 EGADRP COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660533064 461836666 /nfs/dbraw/zinc/83/66/66/461836666.db2.gz BJSJGGHDZQBTEJ-AOIWGVFYSA-N 2 0 334.504 3.169 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858107 461839157 /nfs/dbraw/zinc/83/91/57/461839157.db2.gz XRSOBDPFLXVBDG-CHWSQXEVSA-N 2 0 343.393 3.154 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(=O)NCc1cccs1 ZINC000647802405 461842913 /nfs/dbraw/zinc/84/29/13/461842913.db2.gz KGZNQIYGZWHMGS-WNRNVDISSA-N 2 0 349.544 3.043 20 0 EGADRP C[C@H]1CC(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000669997156 461860611 /nfs/dbraw/zinc/86/06/11/461860611.db2.gz ULMJGOWGAJSVRA-IRXDYDNUSA-N 2 0 334.504 3.310 20 0 EGADRP C[C@@H]1CC(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000669997155 461860813 /nfs/dbraw/zinc/86/08/13/461860813.db2.gz ULMJGOWGAJSVRA-IAGOWNOFSA-N 2 0 334.504 3.310 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000666954338 461886677 /nfs/dbraw/zinc/88/66/77/461886677.db2.gz USVBMGOPVNGLSQ-GOSISDBHSA-N 2 0 333.907 3.036 20 0 EGADRP CC[C@H]1C[N@H+](CC2(COc3cccc(COC)c3)CCC2)CC[C@@H]1[NH3+] ZINC000647934876 461891698 /nfs/dbraw/zinc/89/16/98/461891698.db2.gz SZICLSGZNWCJCR-ICSRJNTNSA-N 2 0 346.515 3.441 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784085 461893667 /nfs/dbraw/zinc/89/36/67/461893667.db2.gz CLWNPTIISRQPTH-GOSISDBHSA-N 2 0 332.536 3.467 20 0 EGADRP c1csc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785916 461896281 /nfs/dbraw/zinc/89/62/81/461896281.db2.gz NEVJMZMYKQHLPA-HNNXBMFYSA-N 2 0 330.501 3.350 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000656787768 461897744 /nfs/dbraw/zinc/89/77/44/461897744.db2.gz UPEQZROUQWGBAY-LTIDMASMSA-N 2 0 333.907 3.144 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000656787770 461897819 /nfs/dbraw/zinc/89/78/19/461897819.db2.gz UPEQZROUQWGBAY-WCXIOVBPSA-N 2 0 333.907 3.144 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000650706222 461900529 /nfs/dbraw/zinc/90/05/29/461900529.db2.gz GQWHWLCBVLDFQY-OIISXLGYSA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)C1 ZINC000650707696 461900797 /nfs/dbraw/zinc/90/07/97/461900797.db2.gz KYLYLLAGWSORIN-ZVDOUQERSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3sc(Br)cc3C2)CC[NH2+]1 ZINC000656791033 461901162 /nfs/dbraw/zinc/90/11/62/461901162.db2.gz CZJRHFZDXOSIFD-QWRGUYRKSA-N 2 0 329.307 3.257 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000650708063 461901300 /nfs/dbraw/zinc/90/13/00/461901300.db2.gz SQTFKPDSKGOGIS-LZQZEXGQSA-N 2 0 343.446 3.092 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651782 461902583 /nfs/dbraw/zinc/90/25/83/461902583.db2.gz CHQMFRSHQYSJHQ-GOSISDBHSA-N 2 0 336.863 3.029 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000666995719 461902884 /nfs/dbraw/zinc/90/28/84/461902884.db2.gz XPYUHTVWSZPSEM-WBVHZDCISA-N 2 0 329.488 3.285 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654973 461905027 /nfs/dbraw/zinc/90/50/27/461905027.db2.gz JRBOTDZRRMKCLU-IBGZPJMESA-N 2 0 329.419 3.398 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@H]1CC[NH3+] ZINC000650711511 461905065 /nfs/dbraw/zinc/90/50/65/461905065.db2.gz WCGFXSBKUGYQAZ-UXPWSPDFSA-N 2 0 332.488 3.194 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(SC)cc1OC ZINC000650711033 461905605 /nfs/dbraw/zinc/90/56/05/461905605.db2.gz GQYBNENENNOTAR-UKRRQHHQSA-N 2 0 338.517 3.375 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc2)n1 ZINC000660657196 461907417 /nfs/dbraw/zinc/90/74/17/461907417.db2.gz OLVRCUSLIKQBGO-OAQYLSRUSA-N 2 0 338.499 3.407 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655370 461908410 /nfs/dbraw/zinc/90/84/10/461908410.db2.gz GWGXEJFUCUSMCG-LJQANCHMSA-N 2 0 347.528 3.155 20 0 EGADRP [NH3+]Cc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000650717776 461909673 /nfs/dbraw/zinc/90/96/73/461909673.db2.gz LYHCMWVLPSBXGF-UHFFFAOYSA-N 2 0 341.474 3.081 20 0 EGADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000650718678 461911529 /nfs/dbraw/zinc/91/15/29/461911529.db2.gz SQBPZBOZNUAWEP-AWEZNQCLSA-N 2 0 326.440 3.028 20 0 EGADRP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975449 461916315 /nfs/dbraw/zinc/91/63/15/461916315.db2.gz AKPJGNRAYALCON-OTWHNJEPSA-N 2 0 343.515 3.140 20 0 EGADRP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723823 461916511 /nfs/dbraw/zinc/91/65/11/461916511.db2.gz UOHVXIKXLTZZEH-OIISXLGYSA-N 2 0 337.533 3.202 20 0 EGADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974937 461917588 /nfs/dbraw/zinc/91/75/88/461917588.db2.gz CEYWQMKKRMIIKG-RTBURBONSA-N 2 0 343.515 3.140 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975891 461917831 /nfs/dbraw/zinc/91/78/31/461917831.db2.gz HHHWLLWQABMRNI-ROUUACIJSA-N 2 0 332.488 3.176 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000647976300 461918802 /nfs/dbraw/zinc/91/88/02/461918802.db2.gz MRZWJDVUHIKFNH-JKSUJKDBSA-N 2 0 349.906 3.380 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976146 461919524 /nfs/dbraw/zinc/91/95/24/461919524.db2.gz KSESALXSHUJWOS-FHWLQOOXSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000647976500 461919669 /nfs/dbraw/zinc/91/96/69/461919669.db2.gz POCYLLADVSFFJC-IPMKNSEASA-N 2 0 343.515 3.342 20 0 EGADRP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1C ZINC000647978331 461920884 /nfs/dbraw/zinc/92/08/84/461920884.db2.gz PZKOVXZSZGFEOH-IAGOWNOFSA-N 2 0 349.544 3.323 20 0 EGADRP c1cnn(CCCCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660679682 461922954 /nfs/dbraw/zinc/92/29/54/461922954.db2.gz RZECTZGBYSIJAQ-UHFFFAOYSA-N 2 0 326.488 3.308 20 0 EGADRP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647989979 461927124 /nfs/dbraw/zinc/92/71/24/461927124.db2.gz LSHLUVZETYHYMP-OAHLLOKOSA-N 2 0 344.425 3.319 20 0 EGADRP CN(C(=O)Nc1cccc(Oc2ccncc2)c1)C1CC[NH2+]CC1 ZINC000667099746 461949476 /nfs/dbraw/zinc/94/94/76/461949476.db2.gz XRPFUZMIWIPQSL-UHFFFAOYSA-N 2 0 326.400 3.090 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC2(CCC2)O1 ZINC000648074273 461971736 /nfs/dbraw/zinc/97/17/36/461971736.db2.gz JGKSCPDGMCJESG-SFHVURJKSA-N 2 0 344.499 3.305 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657310714 462034153 /nfs/dbraw/zinc/03/41/53/462034153.db2.gz RPTOFJBVDDQUKX-KRWDZBQOSA-N 2 0 338.499 3.494 20 0 EGADRP COCCC[NH+]1CCC(NCc2cc(F)ccc2OC(F)F)CC1 ZINC000657343110 462059489 /nfs/dbraw/zinc/05/94/89/462059489.db2.gz IOYOQNQUFDDVLW-UHFFFAOYSA-N 2 0 346.393 3.018 20 0 EGADRP Cn1ncc(C2CC2)c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000667502229 462116345 /nfs/dbraw/zinc/11/63/45/462116345.db2.gz YLEOKFNLIGTQNO-UHFFFAOYSA-N 2 0 330.520 3.386 20 0 EGADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657432059 462119282 /nfs/dbraw/zinc/11/92/82/462119282.db2.gz NSZAESPXXFSUMK-CEWLAPEOSA-N 2 0 338.499 3.119 20 0 EGADRP CCc1cccc2cc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)oc21 ZINC000657458851 462136681 /nfs/dbraw/zinc/13/66/81/462136681.db2.gz QEMXJINTGPFYBG-UHFFFAOYSA-N 2 0 329.488 3.111 20 0 EGADRP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCC1 ZINC000651228807 462146276 /nfs/dbraw/zinc/14/62/76/462146276.db2.gz DIQDHCMDVXHRRE-AQNXPRMDSA-N 2 0 328.500 3.324 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000645155436 462205369 /nfs/dbraw/zinc/20/53/69/462205369.db2.gz VZCSWXOBRUGORP-HXUWFJFHSA-N 2 0 327.516 3.212 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000667706802 462223662 /nfs/dbraw/zinc/22/36/62/462223662.db2.gz ITCSEZZERRUEOK-HLAWJBBLSA-N 2 0 346.515 3.467 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000667707167 462225150 /nfs/dbraw/zinc/22/51/50/462225150.db2.gz RSWJCJVCLGFUIZ-YZGWKJHDSA-N 2 0 332.488 3.077 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000667706801 462225195 /nfs/dbraw/zinc/22/51/95/462225195.db2.gz ITCSEZZERRUEOK-CEWLAPEOSA-N 2 0 346.515 3.467 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cccc(C[NH3+])c3)C2)CC1 ZINC000667729584 462234998 /nfs/dbraw/zinc/23/49/98/462234998.db2.gz NPNMWFLZOJYEQR-GOSISDBHSA-N 2 0 344.503 3.121 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000667730879 462235477 /nfs/dbraw/zinc/23/54/77/462235477.db2.gz DWPRDZFQSOSIJE-UHFFFAOYSA-N 2 0 340.471 3.309 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731261 462235647 /nfs/dbraw/zinc/23/56/47/462235647.db2.gz OPWNHNUDBWHNDE-KXBFYZLASA-N 2 0 338.455 3.102 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657831580 462288422 /nfs/dbraw/zinc/28/84/22/462288422.db2.gz BTGSDLRRCNBQCB-SFHVURJKSA-N 2 0 343.559 3.112 20 0 EGADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657831579 462288658 /nfs/dbraw/zinc/28/86/58/462288658.db2.gz BTGSDLRRCNBQCB-GOSISDBHSA-N 2 0 343.559 3.112 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657891479 462309559 /nfs/dbraw/zinc/30/95/59/462309559.db2.gz ZUOKJPPRHZFVII-FUHWJXTLSA-N 2 0 336.907 3.413 20 0 EGADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000651833748 462351942 /nfs/dbraw/zinc/35/19/42/462351942.db2.gz NPKHDTGNRNRDJM-UHFFFAOYSA-N 2 0 326.488 3.452 20 0 EGADRP Oc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658070168 462367370 /nfs/dbraw/zinc/36/73/70/462367370.db2.gz NFJAROQNMMRFDC-OAQYLSRUSA-N 2 0 344.499 3.250 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071747 462367438 /nfs/dbraw/zinc/36/74/38/462367438.db2.gz YDWZPAJSHBEUOQ-MRXNPFEDSA-N 2 0 334.479 3.237 20 0 EGADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000665264804 462376100 /nfs/dbraw/zinc/37/61/00/462376100.db2.gz IJEMKVBTSNYTNW-VBNZEHGJSA-N 2 0 329.271 3.240 20 0 EGADRP CC(C)N(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649064863 462396855 /nfs/dbraw/zinc/39/68/55/462396855.db2.gz CUXGNMHPSWOHSP-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000668072737 462402364 /nfs/dbraw/zinc/40/23/64/462402364.db2.gz LKBGOVHHTJCGCS-KRWDZBQOSA-N 2 0 346.515 3.107 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000649370745 462490081 /nfs/dbraw/zinc/49/00/81/462490081.db2.gz WNLRARPMYAXXCX-IBGZPJMESA-N 2 0 343.515 3.323 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)ccc2n1 ZINC000189658316 534466982 /nfs/dbraw/zinc/46/69/82/534466982.db2.gz LMHNFTWASRIWCU-UHFFFAOYSA-N 2 0 339.483 3.087 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000178694497 529147274 /nfs/dbraw/zinc/14/72/74/529147274.db2.gz YTEXQLTXXRPSHJ-ROUUACIJSA-N 2 0 340.515 3.159 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000178290528 535282092 /nfs/dbraw/zinc/28/20/92/535282092.db2.gz FZBOIBKNVINQIG-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000338147345 535600762 /nfs/dbraw/zinc/60/07/62/535600762.db2.gz DNVUIYLISKXDBB-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000093442357 546684678 /nfs/dbraw/zinc/68/46/78/546684678.db2.gz SUVHTJVITVKWAL-NRFANRHFSA-N 2 0 342.483 3.183 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000130057711 546792675 /nfs/dbraw/zinc/79/26/75/546792675.db2.gz BRKONVKKFIMBTF-LJQANCHMSA-N 2 0 344.499 3.162 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000132887189 546816535 /nfs/dbraw/zinc/81/65/35/546816535.db2.gz DECLPXFJGVQEBE-UHFFFAOYSA-N 2 0 346.906 3.005 20 0 EGADRP COc1ccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000156678825 546913317 /nfs/dbraw/zinc/91/33/17/546913317.db2.gz FPZSFQRKTRWBNW-DYESRHJHSA-N 2 0 345.531 3.152 20 0 EGADRP Clc1cnc(NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166687727 546989705 /nfs/dbraw/zinc/98/97/05/546989705.db2.gz YUPJWLIOPZSBIG-CHWSQXEVSA-N 2 0 329.275 3.017 20 0 EGADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000167158140 546991091 /nfs/dbraw/zinc/99/10/91/546991091.db2.gz JMBOBTXYTCWXEB-KRWDZBQOSA-N 2 0 334.504 3.230 20 0 EGADRP C[C@H]([NH2+]CCCNc1ccccn1)c1ncc(Br)s1 ZINC000179237810 547045180 /nfs/dbraw/zinc/04/51/80/547045180.db2.gz ZLNKICZVIAIQCL-JTQLQIEISA-N 2 0 341.278 3.453 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CC2 ZINC000280113149 547370088 /nfs/dbraw/zinc/37/00/88/547370088.db2.gz NSOQJXPXBKTCSI-QAPCUYQASA-N 2 0 332.488 3.401 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)CC1 ZINC000285758273 547389366 /nfs/dbraw/zinc/38/93/66/547389366.db2.gz RHSLUOKHHMJMEO-CTNGQTDRSA-N 2 0 329.532 3.486 20 0 EGADRP Brc1cscc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000286014898 547390780 /nfs/dbraw/zinc/39/07/80/547390780.db2.gz PPLPUJPIZUBPGL-UHFFFAOYSA-N 2 0 329.307 3.475 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339065825 547568263 /nfs/dbraw/zinc/56/82/63/547568263.db2.gz CPYVFKWFAXGZDB-UWVAXJGDSA-N 2 0 330.472 3.371 20 0 EGADRP FC(F)(F)COCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339070025 547568429 /nfs/dbraw/zinc/56/84/29/547568429.db2.gz VSTSKIKCBMYCOA-IRXDYDNUSA-N 2 0 342.405 3.482 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072184 547568514 /nfs/dbraw/zinc/56/85/14/547568514.db2.gz UATDODAKWUSSOA-SFTDATJTSA-N 3 0 327.516 3.389 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000361369808 547762466 /nfs/dbraw/zinc/76/24/66/547762466.db2.gz MLKLVZAVEQOOSE-KRWDZBQOSA-N 2 0 340.556 3.061 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414925820 547861897 /nfs/dbraw/zinc/86/18/97/547861897.db2.gz MIRJQBSBVDICOZ-WXHSDQCUSA-N 2 0 329.257 3.379 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414928032 547861590 /nfs/dbraw/zinc/86/15/90/547861590.db2.gz PUAVSOLTBQRTDB-OALUTQOASA-N 2 0 326.488 3.216 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000414946980 547862693 /nfs/dbraw/zinc/86/26/93/547862693.db2.gz KDXUJZWJPMGSBQ-YPMHNXCESA-N 2 0 334.261 3.227 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474461620 547954271 /nfs/dbraw/zinc/95/42/71/547954271.db2.gz PUHHWBNDXANMQX-NJINODPHSA-N 2 0 349.485 3.359 20 0 EGADRP C[C@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C(C)(C)C ZINC000670262746 548192200 /nfs/dbraw/zinc/19/22/00/548192200.db2.gz HRGOHVKFGPBNQZ-MRXNPFEDSA-N 2 0 339.568 3.085 20 0 EGADRP CC1=CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000671117780 548249043 /nfs/dbraw/zinc/24/90/43/548249043.db2.gz LCYGRMKFYFSJDW-HXUWFJFHSA-N 2 0 341.499 3.101 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]C/C=C\c3ccc(F)c(F)c3)CC2)CC1 ZINC000671707913 548338894 /nfs/dbraw/zinc/33/88/94/548338894.db2.gz NVTOGKOVUJQMMF-IHWYPQMZSA-N 2 0 349.469 3.126 20 0 EGADRP CC/C=C\CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671720286 548342237 /nfs/dbraw/zinc/34/22/37/548342237.db2.gz WPAUSVWEQCBXRD-YOXWTLATSA-N 2 0 327.516 3.235 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2ccccc2Br)CC1 ZINC000675792015 548982213 /nfs/dbraw/zinc/98/22/13/548982213.db2.gz ADQACWDNXYLWQN-UHFFFAOYSA-N 2 0 325.294 3.456 20 0 EGADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675937223 549008209 /nfs/dbraw/zinc/00/82/09/549008209.db2.gz UAALHJXJFLLDCJ-LMVRJCEZSA-N 3 0 343.559 3.463 20 0 EGADRP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000678285797 549460077 /nfs/dbraw/zinc/46/00/77/549460077.db2.gz GOFHVVLBXXPPTN-GYBCBDBMSA-N 2 0 327.516 3.048 20 0 EGADRP CN(C)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000678284846 549460278 /nfs/dbraw/zinc/46/02/78/549460278.db2.gz KITISBVNFWWAQF-UHFFFAOYSA-N 2 0 330.520 3.236 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C3CC[NH+](C)CC3)c2)CC1 ZINC000679087480 549632314 /nfs/dbraw/zinc/63/23/14/549632314.db2.gz UPOVFUCNDNMRFA-GOSISDBHSA-N 2 0 344.547 3.359 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(CO)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679625917 549742779 /nfs/dbraw/zinc/74/27/79/549742779.db2.gz HJSOYRRAMTYSST-PGRDOPGGSA-N 2 0 338.495 3.222 20 0 EGADRP Cc1noc(C)c1[C@@H](C)[NH2+]C/C=C/C[NH2+][C@@H](C)c1c(C)noc1C ZINC000680380123 549859344 /nfs/dbraw/zinc/85/93/44/549859344.db2.gz CQQCKVUUPCQBFK-GRPTYIHUSA-N 2 0 332.448 3.454 20 0 EGADRP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681098755 549954208 /nfs/dbraw/zinc/95/42/08/549954208.db2.gz BYJQPKVBSRUXGY-LJQANCHMSA-N 2 0 335.923 3.249 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000681497941 550005747 /nfs/dbraw/zinc/00/57/47/550005747.db2.gz VYGCMYOBKDWOBI-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682408931 550095361 /nfs/dbraw/zinc/09/53/61/550095361.db2.gz DKUGEOMSTKUKCP-LQWHRVPQSA-N 2 0 346.515 3.143 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(-n2cc(Cl)cn2)n1 ZINC000682497510 550106378 /nfs/dbraw/zinc/10/63/78/550106378.db2.gz DRCQXJZALSSPRJ-AWEZNQCLSA-N 2 0 347.894 3.049 20 0 EGADRP CC[C@@H](C)c1nnc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000683078768 550187511 /nfs/dbraw/zinc/18/75/11/550187511.db2.gz IJWDCLZRMIPRTG-CABCVRRESA-N 2 0 345.491 3.109 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1 ZINC000683473689 550232941 /nfs/dbraw/zinc/23/29/41/550232941.db2.gz PZHQMWIZCFZDPD-UHFFFAOYSA-N 2 0 339.483 3.191 20 0 EGADRP CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683725405 550254970 /nfs/dbraw/zinc/25/49/70/550254970.db2.gz BSJJWSOYMJTTII-HXUWFJFHSA-N 2 0 334.504 3.408 20 0 EGADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000684112541 550292689 /nfs/dbraw/zinc/29/26/89/550292689.db2.gz WBSRCGHMWDCBNV-RBUKOAKNSA-N 2 0 326.488 3.298 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000684559946 550343340 /nfs/dbraw/zinc/34/33/40/550343340.db2.gz BUNFCWOPKKMVRQ-NWDGAFQWSA-N 2 0 326.282 3.225 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000685658027 550436899 /nfs/dbraw/zinc/43/68/99/550436899.db2.gz VLXHKLATWBIMEX-KRWDZBQOSA-N 2 0 335.511 3.151 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000729681440 574878081 /nfs/dbraw/zinc/87/80/81/574878081.db2.gz BVOYVAHWBXNJTF-UHFFFAOYSA-N 2 0 332.517 3.438 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCS2 ZINC000681738528 576179036 /nfs/dbraw/zinc/17/90/36/576179036.db2.gz BJHZDNDLRIXDEW-GOSISDBHSA-N 2 0 347.572 3.456 20 0 EGADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000305891552 1297065297 /nfs/dbraw/zinc/06/52/97/1297065297.db2.gz WETBBCVYJJOHPW-OIISXLGYSA-N 2 0 339.524 3.190 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000693032615 1298148476 /nfs/dbraw/zinc/14/84/76/1298148476.db2.gz VQQHRCYBRGVJTO-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000693711362 1298150851 /nfs/dbraw/zinc/15/08/51/1298150851.db2.gz DYHSKTIHGWTOEY-BURNTYAHSA-N 2 0 341.543 3.265 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000067223221 1292153927 /nfs/dbraw/zinc/15/39/27/1292153927.db2.gz HVTPHMMFQNVCDH-CQSZACIVSA-N 2 0 328.403 3.118 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000069171396 1292234308 /nfs/dbraw/zinc/23/43/08/1292234308.db2.gz MBRRLECRROHNGY-QFIPXVFZSA-N 2 0 337.511 3.327 20 0 EGADRP Cc1ccc(NC(=O)CC[NH+]2CCC(CC[NH+](C)C)CC2)cc1F ZINC000072665536 1292285648 /nfs/dbraw/zinc/28/56/48/1292285648.db2.gz WZDOXLLMSXVVAL-UHFFFAOYSA-N 2 0 335.467 3.126 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000073023739 1292301709 /nfs/dbraw/zinc/30/17/09/1292301709.db2.gz OMNHSBXOPDYZPF-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000075762957 1292408905 /nfs/dbraw/zinc/40/89/05/1292408905.db2.gz GGXKAYPOXFZARR-KRWDZBQOSA-N 2 0 343.437 3.067 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3)c2)CC1 ZINC000076400197 1292428106 /nfs/dbraw/zinc/42/81/06/1292428106.db2.gz VHMSFKCSTYXQEZ-UHFFFAOYSA-N 2 0 343.902 3.377 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)cc1 ZINC000077432575 1292465014 /nfs/dbraw/zinc/46/50/14/1292465014.db2.gz JFAHVCIHHXQJLI-IBGZPJMESA-N 2 0 344.503 3.028 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c(C)nn(C)c2C)cc1 ZINC000078484545 1292511881 /nfs/dbraw/zinc/51/18/81/1292511881.db2.gz CKHFIZIYXXXLTL-UHFFFAOYSA-N 2 0 344.503 3.047 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)c3cccc(C[NH3+])c3)CC2)CC1 ZINC000831138003 1292818581 /nfs/dbraw/zinc/81/85/81/1292818581.db2.gz HFRRDPZEIMYGSH-UHFFFAOYSA-N 2 0 343.515 3.118 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000105457206 1293036417 /nfs/dbraw/zinc/03/64/17/1293036417.db2.gz GEGPICUDAOCYPA-CTNGQTDRSA-N 2 0 346.515 3.454 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000105457179 1293036735 /nfs/dbraw/zinc/03/67/35/1293036735.db2.gz JWIRONOKFVTESE-INIZCTEOSA-N 2 0 342.487 3.295 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000105495785 1293040521 /nfs/dbraw/zinc/04/05/21/1293040521.db2.gz KCJNQKHKJKDSAQ-UHFFFAOYSA-N 2 0 338.495 3.496 20 0 EGADRP CCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000112096445 1293117693 /nfs/dbraw/zinc/11/76/93/1293117693.db2.gz IJIQNFKLUTUCDD-QGZVFWFLSA-N 2 0 326.488 3.425 20 0 EGADRP CC1([NH+]2CCC2)CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000834788353 1293149075 /nfs/dbraw/zinc/14/90/75/1293149075.db2.gz GVVAMEKTDOBMIV-XPQZIERPSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000834911467 1293174266 /nfs/dbraw/zinc/17/42/66/1293174266.db2.gz ZBDTUMXDOGUSGC-HNNXBMFYSA-N 2 0 331.460 3.168 20 0 EGADRP c1cnn(-c2ncccc2C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000119248356 1293260933 /nfs/dbraw/zinc/26/09/33/1293260933.db2.gz MWWNNJVEHJOKFC-UHFFFAOYSA-N 2 0 347.466 3.022 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1cc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000130995711 1293675900 /nfs/dbraw/zinc/67/59/00/1293675900.db2.gz LDPRXOCASHQPRY-SFHVURJKSA-N 2 0 331.529 3.263 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136581972 1293817861 /nfs/dbraw/zinc/81/78/61/1293817861.db2.gz BLXYUVBWPRYPCD-SFTDATJTSA-N 2 0 346.515 3.331 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152891177 1293989783 /nfs/dbraw/zinc/98/97/83/1293989783.db2.gz MKHGZIHORADDHT-FQEVSTJZSA-N 2 0 345.531 3.080 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000157089207 1294167868 /nfs/dbraw/zinc/16/78/68/1294167868.db2.gz SOEQKUJTFXICRA-LSDHHAIUSA-N 2 0 331.460 3.024 20 0 EGADRP CCn1nccc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000159921919 1294250947 /nfs/dbraw/zinc/25/09/47/1294250947.db2.gz HDHYXYWZPVVQJC-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000160078284 1294256820 /nfs/dbraw/zinc/25/68/20/1294256820.db2.gz PGSPXEVIEVDVKR-MRXNPFEDSA-N 2 0 326.488 3.250 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCn2ccnc2)cc1C[NH+]1CCCCC1 ZINC000182218023 1295027413 /nfs/dbraw/zinc/02/74/13/1295027413.db2.gz GSAKDGCSVFMMFH-QGZVFWFLSA-N 2 0 342.487 3.228 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCn2cccn2)cc1C[NH+]1CCCCC1 ZINC000183183261 1295104005 /nfs/dbraw/zinc/10/40/05/1295104005.db2.gz FSXUPKAKIKDUTO-KRWDZBQOSA-N 2 0 342.487 3.228 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(F)nc1 ZINC000188993117 1295494519 /nfs/dbraw/zinc/49/45/19/1295494519.db2.gz DOLVEFHCBVIXKA-UHFFFAOYSA-N 2 0 331.435 3.231 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)C1 ZINC000870866092 1296121495 /nfs/dbraw/zinc/12/14/95/1296121495.db2.gz MZPYCHCEMLCLBZ-NSISKUIASA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870907256 1296136020 /nfs/dbraw/zinc/13/60/20/1296136020.db2.gz JIFPUIKRXHFVNB-YTQUADARSA-N 2 0 335.536 3.007 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248584285 1296421235 /nfs/dbraw/zinc/42/12/35/1296421235.db2.gz PMJZVDIELTZMNA-ZUEVXXBESA-N 2 0 338.442 3.241 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871884866 1296593598 /nfs/dbraw/zinc/59/35/98/1296593598.db2.gz LTWAIULTDPAACR-IBGZPJMESA-N 2 0 329.488 3.176 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000261972242 1296611881 /nfs/dbraw/zinc/61/18/81/1296611881.db2.gz DOTQXRIVUDMZKS-UHFFFAOYSA-N 2 0 348.878 3.254 20 0 EGADRP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157389 1296777096 /nfs/dbraw/zinc/77/70/96/1296777096.db2.gz MZZMPYQKJRHLTB-MDZRGWNJSA-N 2 0 335.536 3.053 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000302083066 1296797346 /nfs/dbraw/zinc/79/73/46/1296797346.db2.gz FAYYLYSHFSMHCI-SFHVURJKSA-N 2 0 347.503 3.143 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000305103723 1296978785 /nfs/dbraw/zinc/97/87/85/1296978785.db2.gz CEQOVRVNWSSKMQ-XFBWCDHKSA-N 2 0 331.287 3.347 20 0 EGADRP COc1cc(C)c(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC000873200594 1297345197 /nfs/dbraw/zinc/34/51/97/1297345197.db2.gz GSFXKVRHPKXWBW-UHFFFAOYSA-N 2 0 346.496 3.351 20 0 EGADRP C[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cccc(-n2cccn2)c1 ZINC000873211238 1297355059 /nfs/dbraw/zinc/35/50/59/1297355059.db2.gz LEPHGYDKIRKXFD-AWEZNQCLSA-N 2 0 338.480 3.430 20 0 EGADRP COc1ccc(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)nc1 ZINC000873214139 1297356274 /nfs/dbraw/zinc/35/62/74/1297356274.db2.gz YVJJUEZYHMFWLW-UHFFFAOYSA-N 2 0 343.496 3.177 20 0 EGADRP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232146 1297372257 /nfs/dbraw/zinc/37/22/57/1297372257.db2.gz LKRXJQZUIPHBDA-KSSFIOAISA-N 2 0 334.460 3.186 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000873241333 1297382284 /nfs/dbraw/zinc/38/22/84/1297382284.db2.gz GJXIZAMGTDBFCD-QGZVFWFLSA-N 2 0 338.499 3.447 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000873256244 1297392959 /nfs/dbraw/zinc/39/29/59/1297392959.db2.gz NAGUWKBNIQNLMM-BBBLOLIVSA-N 2 0 336.329 3.277 20 0 EGADRP COc1ccc([C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C(C)C)c(Br)c1 ZINC000873255876 1297393342 /nfs/dbraw/zinc/39/33/42/1297393342.db2.gz JNIMMYWMMKTYEW-MKBNYLNASA-N 2 0 341.293 3.482 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000873260190 1297394611 /nfs/dbraw/zinc/39/46/11/1297394611.db2.gz UTRAZIISIQOZGM-URZNZNTCSA-N 2 0 327.516 3.160 20 0 EGADRP c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291335 1297412564 /nfs/dbraw/zinc/41/25/64/1297412564.db2.gz JYGBEPHMBVVWGV-AABGKKOBSA-N 2 0 328.500 3.461 20 0 EGADRP C[C@H](NC[C@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873292286 1297414133 /nfs/dbraw/zinc/41/41/33/1297414133.db2.gz AGGYDAZVGWZXKB-CDNPAEQRSA-N 2 0 349.522 3.201 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000378938570 1297529166 /nfs/dbraw/zinc/52/91/66/1297529166.db2.gz GXAXANOVYMVIKZ-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000390087977 1297619600 /nfs/dbraw/zinc/61/96/00/1297619600.db2.gz BCCJVURPIFVCHZ-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)n1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397530438 1297700771 /nfs/dbraw/zinc/70/07/71/1297700771.db2.gz HAPVPUQUISNEOK-UHFFFAOYSA-N 2 0 326.488 3.466 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C/C=C\Cl)CC1 ZINC000588382496 1298054157 /nfs/dbraw/zinc/05/41/57/1298054157.db2.gz GCPQQTILOAFZOX-ZBKLQPJUSA-N 2 0 325.859 3.371 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC000692134114 1298140524 /nfs/dbraw/zinc/14/05/24/1298140524.db2.gz AAIVZIKVCWZFGH-IAGOWNOFSA-N 2 0 339.524 3.240 20 0 EGADRP [NH3+]CCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715050781 1298277320 /nfs/dbraw/zinc/27/73/20/1298277320.db2.gz LGBUEPAFXHGJEU-VQTJNVASSA-N 2 0 343.515 3.019 20 0 EGADRP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C1([NH3+])CCCCC1 ZINC000719877432 1298322928 /nfs/dbraw/zinc/32/29/28/1298322928.db2.gz NZVFKFYYBRUCNZ-IBGZPJMESA-N 2 0 343.515 3.161 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720814056 1298329752 /nfs/dbraw/zinc/32/97/52/1298329752.db2.gz DLQKXGFFFMTJFI-BVJIBDCISA-N 2 0 328.500 3.444 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724025118 1298344045 /nfs/dbraw/zinc/34/40/45/1298344045.db2.gz DHGBDKSBHZJHDU-IRXDYDNUSA-N 2 0 339.524 3.001 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000876963986 1299091974 /nfs/dbraw/zinc/09/19/74/1299091974.db2.gz OEUQNKZVKPPWDM-MRXNPFEDSA-N 2 0 339.524 3.003 20 0 EGADRP CCOC(=O)c1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)[nH]1 ZINC000877076349 1299147357 /nfs/dbraw/zinc/14/73/57/1299147357.db2.gz LJMDNTSQBQXQBF-UHFFFAOYSA-N 2 0 333.476 3.078 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000877137798 1299177257 /nfs/dbraw/zinc/17/72/57/1299177257.db2.gz CEDAZKJYDRBJFT-UHFFFAOYSA-N 2 0 331.460 3.385 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877450292 1299310122 /nfs/dbraw/zinc/31/01/22/1299310122.db2.gz FPIAUOPGDMHMES-VDGAXYAQSA-N 2 0 343.515 3.141 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)C1CC[NH2+]CC1 ZINC000877450124 1299310394 /nfs/dbraw/zinc/31/03/94/1299310394.db2.gz YKQQVVOWPDLSPW-MBOZVWFJSA-N 2 0 349.563 3.158 20 0 EGADRP COc1cc(F)cc(OC)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877495427 1299347017 /nfs/dbraw/zinc/34/70/17/1299347017.db2.gz CGQXRUGMWRERDZ-UHFFFAOYSA-N 2 0 336.451 3.151 20 0 EGADRP CC[NH+](CC)CCCN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064271 1300278020 /nfs/dbraw/zinc/27/80/20/1300278020.db2.gz KKUZOBWNFKNNED-DLBZAZTESA-N 2 0 341.540 3.344 20 0 EGADRP CC1(C)CC([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC(C)(C)[NH2+]1 ZINC000759049567 1301006574 /nfs/dbraw/zinc/00/65/74/1301006574.db2.gz OIXBVZROXFRWRO-OAHLLOKOSA-N 2 0 328.859 3.411 20 0 EGADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cnc1Cl ZINC000760663957 1301317339 /nfs/dbraw/zinc/31/73/39/1301317339.db2.gz PUANKTSKLGUEAP-HUUCEWRRSA-N 2 0 325.884 3.022 20 0 EGADRP COc1ccc2c(NCCC[N@@H+]3CCCO[C@@H](C)C3)cc[nH+]c2c1 ZINC000763054333 1301813877 /nfs/dbraw/zinc/81/38/77/1301813877.db2.gz XHXWKZYLTNFMLJ-HNNXBMFYSA-N 2 0 329.444 3.156 20 0 EGADRP CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000763961452 1301989742 /nfs/dbraw/zinc/98/97/42/1301989742.db2.gz FRGDLGIZSMSCKZ-CTNGQTDRSA-N 2 0 330.516 3.131 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000765358832 1302253681 /nfs/dbraw/zinc/25/36/81/1302253681.db2.gz FDPSRKHPOVMYGZ-WBMJQRKESA-N 2 0 330.394 3.059 20 0 EGADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000767500387 1302694742 /nfs/dbraw/zinc/69/47/42/1302694742.db2.gz HVXOEFJFSGIHSH-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768301689 1302876291 /nfs/dbraw/zinc/87/62/91/1302876291.db2.gz IJKIXMBTRMAYNL-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769681255 1303157606 /nfs/dbraw/zinc/15/76/06/1303157606.db2.gz NZHMCNHXYOTTNS-JKSUJKDBSA-N 2 0 327.513 3.144 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C/C=C/c1cccc(F)c1 ZINC000886119119 1303362029 /nfs/dbraw/zinc/36/20/29/1303362029.db2.gz YIFWATVQVVDHLT-QPJJXVBHSA-N 2 0 343.446 3.354 20 0 EGADRP CC[N@H+](CCC[NH2+][C@H]1CCOC2(CCOCC2)C1)C1CCCCC1 ZINC000886154053 1303376457 /nfs/dbraw/zinc/37/64/57/1303376457.db2.gz XZRHIVCQGNOJPJ-SFHVURJKSA-N 2 0 338.536 3.349 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)CC1 ZINC000886530983 1303489680 /nfs/dbraw/zinc/48/96/80/1303489680.db2.gz UTDOCNHPKQUFAJ-MRXNPFEDSA-N 2 0 347.890 3.245 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000886588381 1303514954 /nfs/dbraw/zinc/51/49/54/1303514954.db2.gz PXWDZGVDSUVYTQ-UHFFFAOYSA-N 2 0 328.460 3.155 20 0 EGADRP Cn1nccc1[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886621036 1303527567 /nfs/dbraw/zinc/52/75/67/1303527567.db2.gz ZGSFFSPOIJCKAD-HECZYDGTSA-N 2 0 346.519 3.027 20 0 EGADRP CC[NH+](CC)CCOC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772707952 1303566475 /nfs/dbraw/zinc/56/64/75/1303566475.db2.gz ARQSPFFSSHKMAB-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP CCC1([NH+]2CCC2)CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000886707884 1303572877 /nfs/dbraw/zinc/57/28/77/1303572877.db2.gz VOOWUHJIKPHHKG-KZNAEPCWSA-N 2 0 335.536 3.115 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000773072300 1303619440 /nfs/dbraw/zinc/61/94/40/1303619440.db2.gz WLOCRMNGSZRZJX-HBMCJLEFSA-N 2 0 328.500 3.340 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775375999 1303948279 /nfs/dbraw/zinc/94/82/79/1303948279.db2.gz QYQWGPPSPOWLGC-ZHCJQAHYSA-N 2 0 328.591 3.324 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)ccc1OC ZINC000775385857 1303952724 /nfs/dbraw/zinc/95/27/24/1303952724.db2.gz AMJIXBZHOADYAK-QRWLVFNGSA-N 2 0 334.504 3.349 20 0 EGADRP CO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000777007098 1304231801 /nfs/dbraw/zinc/23/18/01/1304231801.db2.gz KXXLIGQWYHXPMS-VNQPRFMTSA-N 2 0 330.394 3.206 20 0 EGADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781421352 1304824926 /nfs/dbraw/zinc/82/49/26/1304824926.db2.gz PVXOLJAHFUVQCT-XSDIEEQYSA-N 2 0 330.516 3.284 20 0 EGADRP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000781422961 1304826347 /nfs/dbraw/zinc/82/63/47/1304826347.db2.gz NVFOZCCUWBVPKI-JRGCBEDISA-N 2 0 338.499 3.362 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000782190010 1304928357 /nfs/dbraw/zinc/92/83/57/1304928357.db2.gz SUMONFMWHSIJGN-UHFFFAOYSA-N 2 0 341.540 3.342 20 0 EGADRP CC1CCN([C@@H](C[NH2+]CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000892436397 1305373109 /nfs/dbraw/zinc/37/31/09/1305373109.db2.gz ZWEGJKLBSWZKQZ-SFHVURJKSA-N 2 0 335.561 3.453 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCCC[NH+]1CCCC1)[NH+](C)C ZINC000785635197 1305400130 /nfs/dbraw/zinc/40/01/30/1305400130.db2.gz MMSCHUZJZUQYQW-GHTZIAJQSA-N 2 0 345.531 3.369 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000892581636 1305452127 /nfs/dbraw/zinc/45/21/27/1305452127.db2.gz ZVJZBGSDZDOLGA-QZTJIDSGSA-N 2 0 334.504 3.202 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892815511 1305564877 /nfs/dbraw/zinc/56/48/77/1305564877.db2.gz CEVBQUWWEOGTIM-QGZVFWFLSA-N 2 0 335.923 3.406 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000893068465 1305688677 /nfs/dbraw/zinc/68/86/77/1305688677.db2.gz QAZKQTIPRPAYMU-UHFFFAOYSA-N 2 0 335.439 3.460 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000893327503 1305834385 /nfs/dbraw/zinc/83/43/85/1305834385.db2.gz KHYMTUXMVNARHY-SFHVURJKSA-N 2 0 334.504 3.060 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cc[nH]c(=O)c1 ZINC000788584425 1305975039 /nfs/dbraw/zinc/97/50/39/1305975039.db2.gz PCDWHJAQHJFNSR-AWEZNQCLSA-N 2 0 331.485 3.412 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC[C@H](C)O)cc1C[NH+]1CCCCC1 ZINC000788606066 1305980986 /nfs/dbraw/zinc/98/09/86/1305980986.db2.gz UZBGESCQGDSGNL-DLBZAZTESA-N 2 0 334.504 3.493 20 0 EGADRP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093730 1306214401 /nfs/dbraw/zinc/21/44/01/1306214401.db2.gz HNLAUKYGFDTAHI-PXNSSMCTSA-N 2 0 325.500 3.493 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000894766207 1309058951 /nfs/dbraw/zinc/05/89/51/1309058951.db2.gz MZLDROZPXBLAQV-UHFFFAOYSA-N 2 0 326.396 3.080 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C/c3cccc(F)c3)CC2)CC1 ZINC000895034897 1309165942 /nfs/dbraw/zinc/16/59/42/1309165942.db2.gz YVNHDNOZTZSCMS-QPJJXVBHSA-N 2 0 345.506 3.331 20 0 EGADRP Cc1cc([C@@H](C)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565360 1309405706 /nfs/dbraw/zinc/40/57/06/1309405706.db2.gz KBJDWMZYYDAVOY-XLIONFOSSA-N 2 0 326.488 3.291 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC2CCC3(CC2)OCCO3)c1 ZINC000795926531 1309863214 /nfs/dbraw/zinc/86/32/14/1309863214.db2.gz HLOQDUTVRDOOHX-UHFFFAOYSA-N 2 0 332.488 3.161 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796285742 1309953072 /nfs/dbraw/zinc/95/30/72/1309953072.db2.gz VTNAVCZDUTYNSE-UHFFFAOYSA-N 2 0 327.259 3.073 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000798957192 1310464047 /nfs/dbraw/zinc/46/40/47/1310464047.db2.gz YQHNKTKLSFSZMK-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP Cc1cc(NC2CC[NH+](CC3CC3)CC2)ccc1OCC[NH+](C)C ZINC000839185205 1320889546 /nfs/dbraw/zinc/88/95/46/1320889546.db2.gz XBRDFYQYMTUQHG-UHFFFAOYSA-N 2 0 331.504 3.222 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000839480677 1320927425 /nfs/dbraw/zinc/92/74/25/1320927425.db2.gz LNRJGWYHPRHOCF-HXUWFJFHSA-N 2 0 344.499 3.400 20 0 EGADRP CN(CCC[NH+]1CCCC1)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857222472 1328524948 /nfs/dbraw/zinc/52/49/48/1328524948.db2.gz STCVGSDJPOMNBI-FQEVSTJZSA-N 2 0 343.515 3.054 20 0 EGADRP CCCN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000857295444 1328526653 /nfs/dbraw/zinc/52/66/53/1328526653.db2.gz PITRCSLQIJOOLO-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC000929451881 1328600888 /nfs/dbraw/zinc/60/08/88/1328600888.db2.gz SHKWRSNTUUAPMU-LJQANCHMSA-N 2 0 331.504 3.017 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)CC1 ZINC000857924296 1328626295 /nfs/dbraw/zinc/62/62/95/1328626295.db2.gz BMOYLKNPXMLAKL-IBGZPJMESA-N 2 0 343.515 3.016 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccc(Cl)cc1 ZINC001018962944 1316988519 /nfs/dbraw/zinc/98/85/19/1316988519.db2.gz QZDCPNCPRNJDCG-YOEHRIQHSA-N 2 0 349.906 3.076 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001018999141 1316999055 /nfs/dbraw/zinc/99/90/55/1316999055.db2.gz HSXAXSRPPDJOLQ-BJLQDIEVSA-N 2 0 345.531 3.141 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001019230070 1317114477 /nfs/dbraw/zinc/11/44/77/1317114477.db2.gz OUQQMJPXLORHMP-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001019259631 1317132604 /nfs/dbraw/zinc/13/26/04/1317132604.db2.gz UUQLSCUKFQECST-JLSDUUJJSA-N 2 0 349.906 3.076 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000957325655 1317286615 /nfs/dbraw/zinc/28/66/15/1317286615.db2.gz SAPSEIUHQHBZHD-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001019560730 1317292207 /nfs/dbraw/zinc/29/22/07/1317292207.db2.gz VDGDLZHMICUOKH-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCN(C(=O)c1ccccc1C[NH+](C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC000957422325 1317347757 /nfs/dbraw/zinc/34/77/57/1317347757.db2.gz TZEWXMWVBLRDIS-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812496 1317438093 /nfs/dbraw/zinc/43/80/93/1317438093.db2.gz RLTXDLCHVJHJIQ-MOPGFXCFSA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957551993 1317447732 /nfs/dbraw/zinc/44/77/32/1317447732.db2.gz CZLLXMPMKJQIIG-IPMKNSEASA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CC(C)C1)CC2)[NH+](C)C ZINC000957568604 1317466866 /nfs/dbraw/zinc/46/68/66/1317466866.db2.gz MRKHXZDXCHKCSJ-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CCC(C)C)CC2)[NH+](C)C ZINC000957605929 1317492320 /nfs/dbraw/zinc/49/23/20/1317492320.db2.gz QLIQATSYKLTNLV-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020143776 1317559113 /nfs/dbraw/zinc/55/91/13/1317559113.db2.gz DXEJZOFXVPRVCL-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001020144083 1317559353 /nfs/dbraw/zinc/55/93/53/1317559353.db2.gz PUYJDZGAIZMPFA-VBSBHUPXSA-N 2 0 343.515 3.166 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020144032 1317559605 /nfs/dbraw/zinc/55/96/05/1317559605.db2.gz OJDVPHQNXCARKU-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@]1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000902384675 1317571530 /nfs/dbraw/zinc/57/15/30/1317571530.db2.gz UNTKLSZPKFUZNX-CTNGQTDRSA-N 2 0 329.532 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020238900 1317603705 /nfs/dbraw/zinc/60/37/05/1317603705.db2.gz HMUHJEMCLBPGQO-GUDVDZBRSA-N 2 0 347.547 3.066 20 0 EGADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000902789612 1317616801 /nfs/dbraw/zinc/61/68/01/1317616801.db2.gz LJCIHLGJBLESHS-PCCBWWKXSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000957763286 1317629591 /nfs/dbraw/zinc/62/95/91/1317629591.db2.gz MAMARCVHFNUZFL-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001020302733 1317636243 /nfs/dbraw/zinc/63/62/43/1317636243.db2.gz QSPYOKIMTBKVPB-JPLJXNOCSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903092456 1317650057 /nfs/dbraw/zinc/65/00/57/1317650057.db2.gz JXMHOQOUVGQCGR-NXCDMZCRSA-N 2 0 349.519 3.133 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020339525 1317651917 /nfs/dbraw/zinc/65/19/17/1317651917.db2.gz SKBRZSISVGHQNK-LEAZDLGRSA-N 2 0 343.515 3.105 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903099219 1317653618 /nfs/dbraw/zinc/65/36/18/1317653618.db2.gz ZCAVMDKMXVYGRW-DUZACMNTSA-N 2 0 349.519 3.133 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]1O)CC2 ZINC000903118347 1317657309 /nfs/dbraw/zinc/65/73/09/1317657309.db2.gz OAVQUSVAQBQSAH-ONUIULTDSA-N 2 0 328.500 3.052 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C2 ZINC000903119491 1317657557 /nfs/dbraw/zinc/65/75/57/1317657557.db2.gz SGWACXNNKADCJH-LRMKFPBYSA-N 2 0 336.907 3.470 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903150677 1317663741 /nfs/dbraw/zinc/66/37/41/1317663741.db2.gz AAVZCCPECBWSBH-FJXZYEQHSA-N 2 0 339.527 3.254 20 0 EGADRP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](O)c1ccccc1 ZINC000903159421 1317664999 /nfs/dbraw/zinc/66/49/99/1317664999.db2.gz OOPJDQQMDOXEAW-QQFYDIPVSA-N 2 0 328.500 3.492 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1OCCc2sccc21 ZINC000903174502 1317668467 /nfs/dbraw/zinc/66/84/67/1317668467.db2.gz KLRJYDHLIROOHY-NTLLXGQKSA-N 2 0 332.513 3.498 20 0 EGADRP Fc1ccccc1N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903175186 1317668663 /nfs/dbraw/zinc/66/86/63/1317668663.db2.gz RFZPESPPOZWPCG-WELJNPPOSA-N 2 0 343.490 3.399 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000903214331 1317675303 /nfs/dbraw/zinc/67/53/03/1317675303.db2.gz YGUWSDZKZGIJHG-BPZRQAJTSA-N 2 0 327.428 3.342 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000903258333 1317681527 /nfs/dbraw/zinc/68/15/27/1317681527.db2.gz AJDKBPJLRNGDFE-ZWOKBUDYSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000903396189 1317695533 /nfs/dbraw/zinc/69/55/33/1317695533.db2.gz KJTVVJGJPMLSDN-PGRDOPGGSA-N 2 0 338.495 3.222 20 0 EGADRP C[C@H](c1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507425 1317706564 /nfs/dbraw/zinc/70/65/64/1317706564.db2.gz ZFEVNNJDAHYEKS-ZMYBRWDISA-N 2 0 333.907 3.302 20 0 EGADRP CC[C@@H](c1ccc(F)cc1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508784 1317706726 /nfs/dbraw/zinc/70/67/26/1317706726.db2.gz VGVVHPDOMYVNLX-QKLQHJQFSA-N 2 0 349.469 3.317 20 0 EGADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903717898 1317724700 /nfs/dbraw/zinc/72/47/00/1317724700.db2.gz FOAQPEAADMZYSC-PMACEKPBSA-N 2 0 344.499 3.381 20 0 EGADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729071 1317725532 /nfs/dbraw/zinc/72/55/32/1317725532.db2.gz JKFWFLFODOGECS-UXHICEINSA-N 2 0 328.500 3.161 20 0 EGADRP c1c2ccccc2[nH]c1C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903726702 1317725766 /nfs/dbraw/zinc/72/57/66/1317725766.db2.gz NGAUMNZIASPDJV-NQIIRXRSSA-N 2 0 339.483 3.116 20 0 EGADRP C[C@@H]1C[C@H](N(C)C[C@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000903739131 1317728705 /nfs/dbraw/zinc/72/87/05/1317728705.db2.gz CRJADZKHFJFRON-HLAWJBBLSA-N 2 0 329.532 3.361 20 0 EGADRP [NH3+]CC1([C@@H]2CCCCN2Cc2nc(-c3cccs3)no2)CCC1 ZINC000903814660 1317736077 /nfs/dbraw/zinc/73/60/77/1317736077.db2.gz OKLIWKKBSSSXDH-AWEZNQCLSA-N 2 0 332.473 3.282 20 0 EGADRP COc1ccc(Cl)c(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903932271 1317750856 /nfs/dbraw/zinc/75/08/56/1317750856.db2.gz QBEYCYCWYKLSLQ-MQVJKMGUSA-N 2 0 349.906 3.001 20 0 EGADRP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)CCC2 ZINC000903933899 1317751793 /nfs/dbraw/zinc/75/17/93/1317751793.db2.gz AJRWWYJHTYWXPF-YJBOKZPZSA-N 2 0 345.878 3.023 20 0 EGADRP Cc1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980305 1317760801 /nfs/dbraw/zinc/76/08/01/1317760801.db2.gz OJMFQJREEOAROS-KDURUIRLSA-N 2 0 333.907 3.049 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2noc(C[N@H+](C)CC(C)(C)C)n2)cc1 ZINC000903983698 1317762021 /nfs/dbraw/zinc/76/20/21/1317762021.db2.gz NPVRYFNVSGYYFF-UHFFFAOYSA-N 2 0 346.475 3.155 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@]1(C)CCC[NH2+]C1 ZINC000904311429 1317828008 /nfs/dbraw/zinc/82/80/08/1317828008.db2.gz BGPCXPDHUWRMOP-HXUWFJFHSA-N 2 0 326.488 3.331 20 0 EGADRP COC(=O)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1C ZINC000904358026 1317835349 /nfs/dbraw/zinc/83/53/49/1317835349.db2.gz GOGDLLQRDAKUOO-LJQANCHMSA-N 2 0 326.440 3.351 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000904404622 1317842022 /nfs/dbraw/zinc/84/20/22/1317842022.db2.gz AZMSZGCSOHSOIX-GFCCVEGCSA-N 2 0 349.276 3.010 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000904404632 1317842409 /nfs/dbraw/zinc/84/24/09/1317842409.db2.gz BCEMORSGKQOPKI-GFCCVEGCSA-N 2 0 349.276 3.010 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605538 1317842892 /nfs/dbraw/zinc/84/28/92/1317842892.db2.gz DOJASQAYSZXHFH-KLAILNCOSA-N 2 0 339.524 3.144 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000904459424 1317850449 /nfs/dbraw/zinc/85/04/49/1317850449.db2.gz RWKXBIZIUKIMTL-UHFFFAOYSA-N 2 0 327.497 3.124 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001020679676 1317857133 /nfs/dbraw/zinc/85/71/33/1317857133.db2.gz WYYROWAKHWBEGG-NSISKUIASA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000904604324 1317868603 /nfs/dbraw/zinc/86/86/03/1317868603.db2.gz PRYFUYGSKUYLPN-MRXNPFEDSA-N 2 0 344.503 3.124 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccccc1C[NH3+])[NH+](C)C ZINC000904639810 1317874446 /nfs/dbraw/zinc/87/44/46/1317874446.db2.gz WLRDFBQMMMPNCH-KXBFYZLASA-N 2 0 340.471 3.267 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000904664277 1317878625 /nfs/dbraw/zinc/87/86/25/1317878625.db2.gz DJOSJWRNUNVNEG-UHFFFAOYSA-N 2 0 344.503 3.265 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904663843 1317878652 /nfs/dbraw/zinc/87/86/52/1317878652.db2.gz ATPMPIPPNFKAPK-QAPCUYQASA-N 2 0 338.455 3.102 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809750216 1317889667 /nfs/dbraw/zinc/88/96/67/1317889667.db2.gz QXUQOTJVMZQRHO-UHFFFAOYSA-N 2 0 341.540 3.297 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC001020865768 1317975545 /nfs/dbraw/zinc/97/55/45/1317975545.db2.gz OXJZDPGLYBWAKH-VDGAXYAQSA-N 2 0 343.515 3.105 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001021093520 1318079645 /nfs/dbraw/zinc/07/96/45/1318079645.db2.gz FAYVPPCDGPTUIF-IYARVYRRSA-N 2 0 343.515 3.035 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000906673077 1318136175 /nfs/dbraw/zinc/13/61/75/1318136175.db2.gz PQHTVRBZVGNIFR-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021282282 1318170654 /nfs/dbraw/zinc/17/06/54/1318170654.db2.gz VFSPGBRTSDVKIM-YGFFAISXSA-N 2 0 347.547 3.161 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001021303473 1318178535 /nfs/dbraw/zinc/17/85/35/1318178535.db2.gz XIALBQZJFNUWJR-NXEWRWPSSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021306321 1318180399 /nfs/dbraw/zinc/18/03/99/1318180399.db2.gz DJZLPCYVAJKALB-NXEWRWPSSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC000960042295 1318324654 /nfs/dbraw/zinc/32/46/54/1318324654.db2.gz FTLOILKYZWLQKY-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960130416 1318371952 /nfs/dbraw/zinc/37/19/52/1318371952.db2.gz GWCJDMGOEDQJGM-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC000960132309 1318373736 /nfs/dbraw/zinc/37/37/36/1318373736.db2.gz VVXPPAMCKDAFAG-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000812505502 1318403156 /nfs/dbraw/zinc/40/31/56/1318403156.db2.gz CNTMPYNLJYBIHQ-QGZVFWFLSA-N 2 0 348.535 3.010 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]C(C)C)o1 ZINC000960226307 1318421216 /nfs/dbraw/zinc/42/12/16/1318421216.db2.gz PVUBHNGWJBILAE-INIZCTEOSA-N 2 0 335.492 3.114 20 0 EGADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000909598625 1318498419 /nfs/dbraw/zinc/49/84/19/1318498419.db2.gz SGDUQHCFBKDWBT-UHFFFAOYSA-N 2 0 339.483 3.170 20 0 EGADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000909605427 1318500218 /nfs/dbraw/zinc/50/02/18/1318500218.db2.gz FMXWVLJAYUHDSK-IBGZPJMESA-N 2 0 329.488 3.402 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)cc1 ZINC000910280066 1318593837 /nfs/dbraw/zinc/59/38/37/1318593837.db2.gz OXQBVWAFNLMBIE-KRWDZBQOSA-N 2 0 331.504 3.085 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000858491130 1328778379 /nfs/dbraw/zinc/77/83/79/1328778379.db2.gz YSPYKVCYNWJNMZ-OAGGEKHMSA-N 2 0 346.462 3.065 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](CC)CC[C@H]32)o1 ZINC001021741974 1318653291 /nfs/dbraw/zinc/65/32/91/1318653291.db2.gz BDANEMDETHTRMA-SJLPKXTDSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960630023 1318755221 /nfs/dbraw/zinc/75/52/21/1318755221.db2.gz VCPKRZVJTDUSMK-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960664726 1318781110 /nfs/dbraw/zinc/78/11/10/1318781110.db2.gz KRVYSTYWCORMBU-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCCC2)CCC1 ZINC000960675995 1318787390 /nfs/dbraw/zinc/78/73/90/1318787390.db2.gz BOSCBAPWZAUASR-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCC1)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960685805 1318791907 /nfs/dbraw/zinc/79/19/07/1318791907.db2.gz WFYXYYQEHNJJQQ-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1)c1ccccc1 ZINC001022082215 1318793737 /nfs/dbraw/zinc/79/37/37/1318793737.db2.gz XKHQVHLWOIQNEV-YTQUADARSA-N 2 0 343.515 3.249 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC000960689479 1318794013 /nfs/dbraw/zinc/79/40/13/1318794013.db2.gz PSSRIYJPKSTXKB-UXHICEINSA-N 2 0 345.531 3.004 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1c(C)cccc1C)[NH+](C)C ZINC000960718648 1318826885 /nfs/dbraw/zinc/82/68/85/1318826885.db2.gz PRPZJOFZYUACOU-AZUAARDMSA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022196296 1318837376 /nfs/dbraw/zinc/83/73/76/1318837376.db2.gz NOPLOBDTWVLAMB-RNUBBMKBSA-N 2 0 349.563 3.027 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001022370661 1318908328 /nfs/dbraw/zinc/90/83/28/1318908328.db2.gz RMARSGXQZQWERT-HDICACEKSA-N 2 0 338.455 3.075 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000960843264 1318977492 /nfs/dbraw/zinc/97/74/92/1318977492.db2.gz JBQUQSZYESGFNR-VQTJNVASSA-N 2 0 345.531 3.004 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001022535408 1318979386 /nfs/dbraw/zinc/97/93/86/1318979386.db2.gz IVPZPJDEIHVTOO-CADBVGFASA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001022596041 1319008908 /nfs/dbraw/zinc/00/89/08/1319008908.db2.gz GHFYZVYYRSXOPX-DSLXNQLJSA-N 2 0 349.563 3.170 20 0 EGADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000815566772 1319017163 /nfs/dbraw/zinc/01/71/63/1319017163.db2.gz FAZLUFHNJHEFHI-MRXNPFEDSA-N 2 0 342.462 3.132 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 ZINC000815576512 1319019662 /nfs/dbraw/zinc/01/96/62/1319019662.db2.gz RSZXPDNNHUQKLU-MRXNPFEDSA-N 2 0 345.487 3.416 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC000961031719 1319156033 /nfs/dbraw/zinc/15/60/33/1319156033.db2.gz NRYDRTKOYCFCFE-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001022921633 1319171816 /nfs/dbraw/zinc/17/18/16/1319171816.db2.gz GSLPMKVUNHHKSK-BGYRXZFFSA-N 2 0 347.547 3.234 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001022956690 1319186704 /nfs/dbraw/zinc/18/67/04/1319186704.db2.gz CEQKZVMSRVCIFW-ZCNNSNEGSA-N 2 0 343.515 3.078 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231095 1319362504 /nfs/dbraw/zinc/36/25/04/1319362504.db2.gz PLRNOEAFNZWLHD-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000915097944 1319421742 /nfs/dbraw/zinc/42/17/42/1319421742.db2.gz LZLBITAFIXTJFQ-OALUTQOASA-N 2 0 347.547 3.260 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000817893986 1319452649 /nfs/dbraw/zinc/45/26/49/1319452649.db2.gz KESGEUAVOPHWBR-UWHLTILDSA-N 2 0 346.515 3.408 20 0 EGADRP Cc1cccc(F)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817898033 1319455359 /nfs/dbraw/zinc/45/53/59/1319455359.db2.gz YTDJOFUYQJGUQI-UYAOXDASSA-N 2 0 326.415 3.480 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000817902287 1319457328 /nfs/dbraw/zinc/45/73/28/1319457328.db2.gz MHQLPWUBHZTBJM-VQIMIIECSA-N 2 0 343.858 3.123 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000817922688 1319461743 /nfs/dbraw/zinc/46/17/43/1319461743.db2.gz KIEPZSMDFIDICT-AXUOBQJMSA-N 2 0 336.907 3.448 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000817949168 1319473011 /nfs/dbraw/zinc/47/30/11/1319473011.db2.gz NBZQHCFANDRTPJ-UHFFFAOYSA-N 2 0 349.478 3.110 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CC[NH2+]CC1 ZINC000817973119 1319482911 /nfs/dbraw/zinc/48/29/11/1319482911.db2.gz BTILICGMFIABEO-AWEZNQCLSA-N 2 0 340.895 3.324 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817975345 1319483008 /nfs/dbraw/zinc/48/30/08/1319483008.db2.gz LHGDOXMLSJJQRS-BRWVUGGUSA-N 2 0 345.487 3.449 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000817980371 1319484321 /nfs/dbraw/zinc/48/43/21/1319484321.db2.gz AJLJMGFOBPRWSS-BXWFABGCSA-N 3 0 333.520 3.315 20 0 EGADRP CCCCCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000818013598 1319491739 /nfs/dbraw/zinc/49/17/39/1319491739.db2.gz CDDPZQGKNCTLHW-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023395629 1319502121 /nfs/dbraw/zinc/50/21/21/1319502121.db2.gz IWTAQNFDSNMHDC-INIZCTEOSA-N 2 0 349.544 3.052 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000818339688 1319529038 /nfs/dbraw/zinc/52/90/38/1319529038.db2.gz CYRVARMQDGNCHL-MRXNPFEDSA-N 2 0 343.515 3.387 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000961418564 1319574971 /nfs/dbraw/zinc/57/49/71/1319574971.db2.gz CFEJXEKULMJIIZ-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](CN1CCCC1)[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819077605 1319628796 /nfs/dbraw/zinc/62/87/96/1319628796.db2.gz BLGUPRJJLCDDCR-CZUORRHYSA-N 2 0 331.287 3.491 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819133062 1319642911 /nfs/dbraw/zinc/64/29/11/1319642911.db2.gz KTNWHSJTLMUZNV-IIAWOOMASA-N 2 0 346.393 3.081 20 0 EGADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)[NH+]1CCCCC1 ZINC000819231274 1319675623 /nfs/dbraw/zinc/67/56/23/1319675623.db2.gz SJLDSOZITHHLJY-GUYCJALGSA-N 2 0 328.859 3.367 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000819275174 1319686631 /nfs/dbraw/zinc/68/66/31/1319686631.db2.gz RPSAUPZAIGBWNM-FXAWDEMLSA-N 2 0 344.886 3.485 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588934 1319709967 /nfs/dbraw/zinc/70/99/67/1319709967.db2.gz OMQWBGULSSHABX-LJQANCHMSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)(C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC000961836918 1319745045 /nfs/dbraw/zinc/74/50/45/1319745045.db2.gz DTGHLBLKFZIFCK-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632334 1319753041 /nfs/dbraw/zinc/75/30/41/1319753041.db2.gz JYCFDPULPVCSCR-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646101 1319766824 /nfs/dbraw/zinc/76/68/24/1319766824.db2.gz HZRFYIPVHWHZLA-IBGZPJMESA-N 2 0 345.531 3.236 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)CC1 ZINC000962385599 1319945509 /nfs/dbraw/zinc/94/55/09/1319945509.db2.gz RJJQWCHSXBDQGK-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000822659365 1320109587 /nfs/dbraw/zinc/10/95/87/1320109587.db2.gz PKDRKISHCRLYDX-IAGOWNOFSA-N 2 0 326.444 3.188 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000823247508 1320165481 /nfs/dbraw/zinc/16/54/81/1320165481.db2.gz GOWYSACYEQOKFM-HNNXBMFYSA-N 2 0 348.362 3.062 20 0 EGADRP C[NH+](C)CCOc1ccc(NC2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000839191138 1320891051 /nfs/dbraw/zinc/89/10/51/1320891051.db2.gz WQJKOTIZZIKACW-UHFFFAOYSA-N 2 0 337.483 3.441 20 0 EGADRP c1nnc(C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)[nH]1 ZINC000839502497 1320929495 /nfs/dbraw/zinc/92/94/95/1320929495.db2.gz NGYJSSUQLAEYTG-UHFFFAOYSA-N 2 0 339.487 3.170 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000859155671 1328933945 /nfs/dbraw/zinc/93/39/45/1328933945.db2.gz ODAJWYZMPTTXAE-RDJZCZTQSA-N 2 0 339.524 3.048 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032102 1321204168 /nfs/dbraw/zinc/20/41/68/1321204168.db2.gz KSPHQIIVIOOVGM-UHFFFAOYSA-N 2 0 334.467 3.280 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)CCC[NH3+])cc(C)c1OCc1ccccn1 ZINC000841082033 1321215467 /nfs/dbraw/zinc/21/54/67/1321215467.db2.gz ZGOMSXMOAFBQSD-QGZVFWFLSA-N 2 0 327.472 3.494 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000841084108 1321216135 /nfs/dbraw/zinc/21/61/35/1321216135.db2.gz GISHKJBBIFVDNV-IAGOWNOFSA-N 2 0 346.906 3.419 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000842472103 1321392515 /nfs/dbraw/zinc/39/25/15/1321392515.db2.gz QSRRUAVIOAFUNF-UHFFFAOYSA-N 2 0 335.467 3.385 20 0 EGADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc2ccccc2c1 ZINC000842473255 1321393802 /nfs/dbraw/zinc/39/38/02/1321393802.db2.gz WJDAPNBXKMIDBC-FQEVSTJZSA-N 2 0 337.467 3.242 20 0 EGADRP CCCCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1Cl ZINC000843125705 1321473274 /nfs/dbraw/zinc/47/32/74/1321473274.db2.gz FTVVPFUYEIVBMH-JKSUJKDBSA-N 2 0 338.927 3.467 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000843129845 1321474890 /nfs/dbraw/zinc/47/48/90/1321474890.db2.gz SAPCZDVSOIHPPK-SJORKVTESA-N 2 0 327.472 3.493 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1-c1noc(CCC(C)(C)[NH3+])n1 ZINC000843200424 1321486819 /nfs/dbraw/zinc/48/68/19/1321486819.db2.gz OHKQORBWPHFDGM-UHFFFAOYSA-N 2 0 346.475 3.127 20 0 EGADRP C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CCC([NH3+])CC1 ZINC000843354206 1321504670 /nfs/dbraw/zinc/50/46/70/1321504670.db2.gz XXNXKXUOYLTWMS-UHFFFAOYSA-N 2 0 330.259 3.134 20 0 EGADRP CCc1cc2oc(=O)cc(CN3C[C@H](C[NH3+])C[C@H]3C)c2cc1Cl ZINC000843362328 1321507031 /nfs/dbraw/zinc/50/70/31/1321507031.db2.gz DRJOIYYJNGVUNI-NEPJUHHUSA-N 2 0 334.847 3.178 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378131 1321508725 /nfs/dbraw/zinc/50/87/25/1321508725.db2.gz SQTPTHBHLKUGAI-HOTGVXAUSA-N 2 0 331.504 3.372 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843387856 1321509743 /nfs/dbraw/zinc/50/97/43/1321509743.db2.gz JJROWOHECYVSFF-IAGOWNOFSA-N 2 0 340.467 3.177 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000844194892 1321577268 /nfs/dbraw/zinc/57/72/68/1321577268.db2.gz LWNXTKQWNQZOIV-SFHVURJKSA-N 2 0 349.906 3.079 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cncc3ccccc32)C1 ZINC000844910817 1321656963 /nfs/dbraw/zinc/65/69/63/1321656963.db2.gz JTGINSDLDABVRF-RLLQIKCJSA-N 2 0 325.456 3.096 20 0 EGADRP COc1cccc(C[N@H+](CCCCCC[NH3+])C2CCC(O)CC2)c1 ZINC000846217612 1321776944 /nfs/dbraw/zinc/77/69/44/1321776944.db2.gz FSSCNDUUKYXNGV-UHFFFAOYSA-N 2 0 334.504 3.320 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H]1CC[NH3+] ZINC000846226641 1321778115 /nfs/dbraw/zinc/77/81/15/1321778115.db2.gz SDGYUBXQJUSWPM-KUHUBIRLSA-N 2 0 340.467 3.231 20 0 EGADRP CN(Cc1ccc2nonc2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846807844 1321810542 /nfs/dbraw/zinc/81/05/42/1321810542.db2.gz DUYJBAUXBFDDGT-GOSISDBHSA-N 2 0 336.439 3.177 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Cl)c1Cl ZINC000849062631 1322063139 /nfs/dbraw/zinc/06/31/39/1322063139.db2.gz XNKIJNOOCVMLLY-GFCCVEGCSA-N 2 0 329.275 3.092 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083726 1322072116 /nfs/dbraw/zinc/07/21/16/1322072116.db2.gz GMBPMWWGTJNCRQ-LBPRGKRZSA-N 2 0 344.381 3.252 20 0 EGADRP CC(C)[NH+](CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C(C)C ZINC000849089929 1322073712 /nfs/dbraw/zinc/07/37/12/1322073712.db2.gz LACKITXSUDLQHL-UHFFFAOYSA-N 2 0 344.425 3.438 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=[NH2+])NC3CCC3)cc2)C1 ZINC000849110697 1322081927 /nfs/dbraw/zinc/08/19/27/1322081927.db2.gz KQLJHPFYQUDSEU-IYBDPMFKSA-N 2 0 328.504 3.331 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000850399572 1322238557 /nfs/dbraw/zinc/23/85/57/1322238557.db2.gz MWYCPLHJEZRIMD-XJKCOSOUSA-N 2 0 329.271 3.243 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000921544110 1322347662 /nfs/dbraw/zinc/34/76/62/1322347662.db2.gz SIWUDKOMLYILOY-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP Cn1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c(C(F)F)n1 ZINC000922501816 1322543798 /nfs/dbraw/zinc/54/37/98/1322543798.db2.gz BNKQQOAWORIVCX-UHFFFAOYSA-N 2 0 326.435 3.244 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C12CCC[NH+](CCC1)C2 ZINC000922829570 1322627926 /nfs/dbraw/zinc/62/79/26/1322627926.db2.gz HLTFUIIMNAHLSG-UHFFFAOYSA-N 2 0 341.499 3.487 20 0 EGADRP O=C(NC1CCCCC1)C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923309527 1322731015 /nfs/dbraw/zinc/73/10/15/1322731015.db2.gz RFCXENRBZBXZLX-XGSMCBPESA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000923325851 1322734968 /nfs/dbraw/zinc/73/49/68/1322734968.db2.gz CKCBYUHTTRSAHB-NRFANRHFSA-N 2 0 326.484 3.207 20 0 EGADRP O[C@H](CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363796 1322740855 /nfs/dbraw/zinc/74/08/55/1322740855.db2.gz FVCNVHLGNSBIGW-AFAVFJNCSA-N 2 0 343.298 3.491 20 0 EGADRP CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923397685 1322745137 /nfs/dbraw/zinc/74/51/37/1322745137.db2.gz FKKFRVFEBALIQS-ZXFUBFMLSA-N 2 0 328.504 3.053 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923483572 1322759783 /nfs/dbraw/zinc/75/97/83/1322759783.db2.gz CQTDOZXDKLKFLO-FXAWDEMLSA-N 2 0 337.467 3.346 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1C[NH3+] ZINC000923493511 1322761223 /nfs/dbraw/zinc/76/12/23/1322761223.db2.gz HOYQKSXKBNWPKL-FUHWJXTLSA-N 2 0 325.456 3.077 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)c1cccs1 ZINC000923504489 1322764440 /nfs/dbraw/zinc/76/44/40/1322764440.db2.gz YXDZSTWKBHHSHD-HOTGVXAUSA-N 2 0 349.544 3.027 20 0 EGADRP O[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000923508394 1322765447 /nfs/dbraw/zinc/76/54/47/1322765447.db2.gz VBKZZIMUDOBGTG-IFXJQAMLSA-N 2 0 338.442 3.100 20 0 EGADRP FC(F)(F)[C@@H]1CC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)O1 ZINC000923506817 1322765464 /nfs/dbraw/zinc/76/54/64/1322765464.db2.gz MADCUIDUMYAVSD-BMFZPTHFSA-N 2 0 334.426 3.198 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924670391 1323104659 /nfs/dbraw/zinc/10/46/59/1323104659.db2.gz ZPGMBWVTSFNIAL-DLBZAZTESA-N 2 0 342.487 3.018 20 0 EGADRP CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924676245 1323107702 /nfs/dbraw/zinc/10/77/02/1323107702.db2.gz RNHMVERCSHOJBX-MRXNPFEDSA-N 2 0 339.483 3.349 20 0 EGADRP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C(=O)NCc1ccccc1 ZINC000924825097 1323178450 /nfs/dbraw/zinc/17/84/50/1323178450.db2.gz BJAYETVYEMWERX-IRXDYDNUSA-N 2 0 339.483 3.104 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024186243 1323197524 /nfs/dbraw/zinc/19/75/24/1323197524.db2.gz NTPALXLTPWHDDY-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001024212864 1323209532 /nfs/dbraw/zinc/20/95/32/1323209532.db2.gz UKCCWAGBICWQOW-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000963158238 1323220025 /nfs/dbraw/zinc/22/00/25/1323220025.db2.gz VPKMHJBZGMKOQS-MHJFOBGBSA-N 2 0 349.563 3.410 20 0 EGADRP FC(F)(F)c1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852744489 1323234008 /nfs/dbraw/zinc/23/40/08/1323234008.db2.gz BOCKEUOCANQHHS-CZUORRHYSA-N 2 0 340.389 3.363 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(-c2ccccc2)no1 ZINC000925023418 1323247733 /nfs/dbraw/zinc/24/77/33/1323247733.db2.gz NAHQFPKXPCXYPK-WMZOPIPTSA-N 2 0 343.471 3.229 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC000853062133 1323271840 /nfs/dbraw/zinc/27/18/40/1323271840.db2.gz JLNOYZFOYDUFGI-UTKZUKDTSA-N 2 0 339.483 3.279 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853098444 1323281214 /nfs/dbraw/zinc/28/12/14/1323281214.db2.gz JNHXSTBLFISXRB-UWJYYQICSA-N 2 0 339.483 3.137 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024437667 1323397696 /nfs/dbraw/zinc/39/76/96/1323397696.db2.gz UWICMLCKCLKDLI-ZWKOTPCHSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439533 1323402725 /nfs/dbraw/zinc/40/27/25/1323402725.db2.gz BIWFJZSYWFADCA-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440951 1323403730 /nfs/dbraw/zinc/40/37/30/1323403730.db2.gz VTKWIMAQEHJQEZ-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCC2)CC[N@@H+]1C ZINC001024448198 1323407792 /nfs/dbraw/zinc/40/77/92/1323407792.db2.gz FKARYXRZISYZFT-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024469651 1323424226 /nfs/dbraw/zinc/42/42/26/1323424226.db2.gz VGPOFGTWWFFLLM-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024470405 1323424952 /nfs/dbraw/zinc/42/49/52/1323424952.db2.gz ZMHSLHXJWVHHNX-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024478932 1323431846 /nfs/dbraw/zinc/43/18/46/1323431846.db2.gz VXDHUPJCTUUQNX-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479151 1323432139 /nfs/dbraw/zinc/43/21/39/1323432139.db2.gz AOEDDZKKHBCTGA-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024522075 1323471019 /nfs/dbraw/zinc/47/10/19/1323471019.db2.gz ZBQQBYBWJGZFKS-MRXNPFEDSA-N 2 0 328.460 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024613866 1323542818 /nfs/dbraw/zinc/54/28/18/1323542818.db2.gz CXTSZRVBNXVIKL-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCCCC2)CC1 ZINC001024634927 1323559780 /nfs/dbraw/zinc/55/97/80/1323559780.db2.gz YUVHLMFRQIRIDV-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814061 1323715614 /nfs/dbraw/zinc/71/56/14/1323715614.db2.gz NWJKMLCBWNBLTC-AEFFLSMTSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024812701 1323716934 /nfs/dbraw/zinc/71/69/34/1323716934.db2.gz RJPIATGBRWLYDB-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001024963970 1323802873 /nfs/dbraw/zinc/80/28/73/1323802873.db2.gz ZFKPQJNFTOUFIB-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001024982775 1323812883 /nfs/dbraw/zinc/81/28/83/1323812883.db2.gz BPAWNYATZHGXOG-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1)C1CC1 ZINC001024985093 1323813728 /nfs/dbraw/zinc/81/37/28/1323813728.db2.gz LIYQCFYJXBAIPK-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc(-c2nnc([C@@H](C)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)o2)cc1C ZINC000931435757 1329116759 /nfs/dbraw/zinc/11/67/59/1329116759.db2.gz NPDAZYXIHCILHS-BPQIPLTHSA-N 2 0 340.471 3.298 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025135682 1323912783 /nfs/dbraw/zinc/91/27/83/1323912783.db2.gz HUXZKFWRVXBBHJ-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025137195 1323914006 /nfs/dbraw/zinc/91/40/06/1323914006.db2.gz VXVRTFSLPNRFAC-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001025168670 1323936908 /nfs/dbraw/zinc/93/69/08/1323936908.db2.gz SKXQXAHMENXLJZ-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025168403 1323937904 /nfs/dbraw/zinc/93/79/04/1323937904.db2.gz BZXAJFGOVQIXOY-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025232887 1324020162 /nfs/dbraw/zinc/02/01/62/1324020162.db2.gz RAPPECMVEVRPAP-ROUUACIJSA-N 2 0 335.536 3.116 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001025246402 1324045922 /nfs/dbraw/zinc/04/59/22/1324045922.db2.gz WUVQMSDVPGZJCW-OALUTQOASA-N 2 0 340.471 3.122 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300062 1324132372 /nfs/dbraw/zinc/13/23/72/1324132372.db2.gz AYXSGQKDNRPYQK-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484648 1324333775 /nfs/dbraw/zinc/33/37/75/1324333775.db2.gz HEPUJFNDIIDTIA-DLBZAZTESA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025517479 1324361409 /nfs/dbraw/zinc/36/14/09/1324361409.db2.gz ZXHYKTINFQAOIV-DLBZAZTESA-N 2 0 347.503 3.138 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630418 1324482473 /nfs/dbraw/zinc/48/24/73/1324482473.db2.gz SQNHPICNGOYIDN-SJORKVTESA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026547231 1324884358 /nfs/dbraw/zinc/88/43/58/1324884358.db2.gz ATPVKGWNORHXAE-QLOJAFMTSA-N 2 0 349.563 3.457 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026610848 1324932861 /nfs/dbraw/zinc/93/28/61/1324932861.db2.gz VQMDLMARGAMQML-MHJFOBGBSA-N 2 0 347.547 3.378 20 0 EGADRP C[C@H]([NH2+]CCCOCC1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925119781 1325052831 /nfs/dbraw/zinc/05/28/31/1325052831.db2.gz SUDPWNURLCRQQZ-KRWDZBQOSA-N 2 0 334.504 3.232 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000925119829 1325053181 /nfs/dbraw/zinc/05/31/81/1325053181.db2.gz ZRJLNSHEVIDDFC-QGZVFWFLSA-N 2 0 348.874 3.263 20 0 EGADRP CC[C@H]1COC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000925220678 1325085474 /nfs/dbraw/zinc/08/54/74/1325085474.db2.gz CMSKPZYYSJOTDT-PZJWPPBQSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925500521 1325179122 /nfs/dbraw/zinc/17/91/22/1325179122.db2.gz DEJQVEQRLOFACT-FXAWDEMLSA-N 2 0 327.516 3.476 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000925502674 1325180495 /nfs/dbraw/zinc/18/04/95/1325180495.db2.gz HSUJNCKGEOIYLI-JTZDAICYSA-N 2 0 329.271 3.132 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)[NH2+]2 ZINC000925513441 1325185411 /nfs/dbraw/zinc/18/54/11/1325185411.db2.gz JXWIPDSLASCLPM-ZVEHZALQSA-N 2 0 347.934 3.423 20 0 EGADRP c1ccc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925539010 1325197922 /nfs/dbraw/zinc/19/79/22/1325197922.db2.gz XSVFDKVKROAVFO-QMMLZNLJSA-N 2 0 327.516 3.271 20 0 EGADRP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925550825 1325203788 /nfs/dbraw/zinc/20/37/88/1325203788.db2.gz CVENNYSMECGDCE-OTWHNJEPSA-N 2 0 343.515 3.032 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc(N2CCCCC2)n1 ZINC000925562626 1325210505 /nfs/dbraw/zinc/21/05/05/1325210505.db2.gz INCNFLZQGTXFPB-WOJBJXKFSA-N 2 0 342.531 3.330 20 0 EGADRP c1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc(N2CCCCC2)n1 ZINC000925562624 1325210594 /nfs/dbraw/zinc/21/05/94/1325210594.db2.gz INCNFLZQGTXFPB-UXHICEINSA-N 2 0 342.531 3.330 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027103941 1325228649 /nfs/dbraw/zinc/22/86/49/1325228649.db2.gz IWWMIURLEHBIIY-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)CC2)CC1 ZINC000925607090 1325229841 /nfs/dbraw/zinc/22/98/41/1325229841.db2.gz NIQLTYASPRMHTP-ZCFHBRKKSA-N 3 0 333.564 3.396 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001027105621 1325230628 /nfs/dbraw/zinc/23/06/28/1325230628.db2.gz OWHSYWVVDWPDLX-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cc(CO)on1 ZINC000925614774 1325230740 /nfs/dbraw/zinc/23/07/40/1325230740.db2.gz KOYXOWQIBNHADE-RYRKJORJSA-N 2 0 343.471 3.118 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000925618360 1325232971 /nfs/dbraw/zinc/23/29/71/1325232971.db2.gz ZVDSHXLULNYENI-AOIWGVFYSA-N 2 0 326.488 3.371 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c2ccccc21 ZINC000925624795 1325236472 /nfs/dbraw/zinc/23/64/72/1325236472.db2.gz CFTQUWYNYQARDM-AQNXPRMDSA-N 2 0 341.499 3.242 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(c3ccc(F)c(Cl)c3)C1)[NH2+]2 ZINC000925628813 1325237917 /nfs/dbraw/zinc/23/79/17/1325237917.db2.gz JOZMGJUPJQWUEV-RDLJHEDLSA-N 2 0 337.870 3.176 20 0 EGADRP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925631774 1325239949 /nfs/dbraw/zinc/23/99/49/1325239949.db2.gz KBVZEKCAFCYFRK-INDMIFKZSA-N 2 0 349.469 3.348 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925664785 1325254263 /nfs/dbraw/zinc/25/42/63/1325254263.db2.gz ATPYFDYFDWGTRX-QZTJIDSGSA-N 3 0 345.531 3.155 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925799656 1325305843 /nfs/dbraw/zinc/30/58/43/1325305843.db2.gz AQTYQIJQALCHIG-QLFBSQMISA-N 2 0 344.425 3.111 20 0 EGADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000925817892 1325314658 /nfs/dbraw/zinc/31/46/58/1325314658.db2.gz XDNNVIJDJJOHOV-APWZRJJASA-N 2 0 335.923 3.064 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CCC([NH2+]CC2CC2)CC1 ZINC000964021767 1325477125 /nfs/dbraw/zinc/47/71/25/1325477125.db2.gz HCXIGWGIOYMTRH-UHFFFAOYSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000926228577 1325484061 /nfs/dbraw/zinc/48/40/61/1325484061.db2.gz NNJKKNHVSLLUIW-UHFFFAOYSA-N 2 0 349.485 3.361 20 0 EGADRP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926290712 1325505951 /nfs/dbraw/zinc/50/59/51/1325505951.db2.gz QBWTYFCKSKIFCC-GFCCVEGCSA-N 2 0 336.373 3.316 20 0 EGADRP COc1ccc([C@@H](C[NH+](C)C)NC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000926382013 1325534587 /nfs/dbraw/zinc/53/45/87/1325534587.db2.gz GHUQBFJXMLALIN-OAQYLSRUSA-N 2 0 347.547 3.398 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC000926436771 1325553330 /nfs/dbraw/zinc/55/33/30/1325553330.db2.gz MLEYXRIJHGRIML-ZEWNOJEFSA-N 2 0 343.515 3.046 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC000926436768 1325553762 /nfs/dbraw/zinc/55/37/62/1325553762.db2.gz MLEYXRIJHGRIML-DVMWJLJYSA-N 2 0 343.515 3.046 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1nc(Br)ccc1F ZINC000926572670 1327619792 /nfs/dbraw/zinc/61/97/92/1327619792.db2.gz GSRNJAZAWYPHCY-RYUDHWBXSA-N 2 0 344.272 3.366 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc(C[NH+](C)C)c1 ZINC000926659830 1327655885 /nfs/dbraw/zinc/65/58/85/1327655885.db2.gz IAPYYTGDFJBXTK-KXBFYZLASA-N 2 0 339.483 3.175 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926750943 1327698963 /nfs/dbraw/zinc/69/89/63/1327698963.db2.gz NKTAEDLFKIEBMJ-PBHICJAKSA-N 2 0 325.447 3.128 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027461488 1327707358 /nfs/dbraw/zinc/70/73/58/1327707358.db2.gz LNXKHKXRJYQHEE-RBUKOAKNSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000926791249 1327719568 /nfs/dbraw/zinc/71/95/68/1327719568.db2.gz QCKOVUXMOFPYJO-UXHICEINSA-N 2 0 332.536 3.231 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCn2ccc(C(F)(F)F)n2)CC1 ZINC000926830469 1327734952 /nfs/dbraw/zinc/73/49/52/1327734952.db2.gz NSWIRSUHYLEDJJ-UHFFFAOYSA-N 2 0 332.414 3.002 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)c2ccccc21 ZINC000927039185 1327827917 /nfs/dbraw/zinc/82/79/17/1327827917.db2.gz SRHXOYKNQLQVLX-MOMVYJMYSA-N 2 0 341.499 3.481 20 0 EGADRP Cc1ccc(NCC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000927072427 1327841962 /nfs/dbraw/zinc/84/19/62/1327841962.db2.gz AYIRFMWYVICKMV-QGZVFWFLSA-N 2 0 342.487 3.093 20 0 EGADRP CCOCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000927086701 1327854584 /nfs/dbraw/zinc/85/45/84/1327854584.db2.gz MPVDAKADCINDLI-NJYVYQBISA-N 2 0 346.515 3.072 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2nc3c(s2)COCC3)CC1 ZINC000927115434 1327874072 /nfs/dbraw/zinc/87/40/72/1327874072.db2.gz OPDXHLSIKRMQJG-UHFFFAOYSA-N 2 0 335.517 3.103 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C1)[NH+](C)C ZINC001027580827 1327915737 /nfs/dbraw/zinc/91/57/37/1327915737.db2.gz BDUUEFNDFCNGAK-QUCCMNQESA-N 2 0 345.531 3.066 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(C)C)C1 ZINC001027646152 1328021301 /nfs/dbraw/zinc/02/13/01/1328021301.db2.gz CSWAUWCQRLCHFB-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647043 1328024325 /nfs/dbraw/zinc/02/43/25/1328024325.db2.gz KWWMEMLELGYPQL-PZJWPPBQSA-N 2 0 345.531 3.042 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027694506 1328100456 /nfs/dbraw/zinc/10/04/56/1328100456.db2.gz AQMTYJZBNKQQAR-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694644 1328101408 /nfs/dbraw/zinc/10/14/08/1328101408.db2.gz FETBCOXUYSWKRU-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCCC2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000966074534 1328170283 /nfs/dbraw/zinc/17/02/83/1328170283.db2.gz IJBZVOHWTALXGH-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027878735 1328345448 /nfs/dbraw/zinc/34/54/48/1328345448.db2.gz HRDDYNLSXGVXFL-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885484 1328353437 /nfs/dbraw/zinc/35/34/37/1328353437.db2.gz FKZJQJIEAHRHAU-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027971575 1328443577 /nfs/dbraw/zinc/44/35/77/1328443577.db2.gz HPNWOBDHVDQQMT-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001027992881 1328459232 /nfs/dbraw/zinc/45/92/32/1328459232.db2.gz GUVGQDGLUBERAO-ACBHZAAOSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029751 1328492509 /nfs/dbraw/zinc/49/25/09/1328492509.db2.gz KWVJKRUJTUBRTC-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029513 1328492989 /nfs/dbraw/zinc/49/29/89/1328492989.db2.gz GKDYZSVFSSDJIN-OXJNMPFZSA-N 2 0 348.450 3.290 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000865484475 1329704036 /nfs/dbraw/zinc/70/40/36/1329704036.db2.gz XOXOZFWNISIYOK-QZTJIDSGSA-N 2 0 331.504 3.126 20 0 EGADRP CC(C)n1cc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000865717407 1329732174 /nfs/dbraw/zinc/73/21/74/1329732174.db2.gz BVAPVXLJVRTWIL-UHFFFAOYSA-N 2 0 341.503 3.251 20 0 EGADRP CCc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c2ccccc2[nH+]1 ZINC000866213621 1330079532 /nfs/dbraw/zinc/07/95/32/1330079532.db2.gz YRVOZBOKLQDQAM-UHFFFAOYSA-N 2 0 338.499 3.013 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000866469424 1330116300 /nfs/dbraw/zinc/11/63/00/1330116300.db2.gz ICMKAPDLNPLSOG-NQIIRXRSSA-N 3 0 329.532 3.361 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000866470072 1330116491 /nfs/dbraw/zinc/11/64/91/1330116491.db2.gz OQYLXYZVEQXGBP-QGZVFWFLSA-N 2 0 326.488 3.373 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000866666112 1330139659 /nfs/dbraw/zinc/13/96/59/1330139659.db2.gz NVGAAOOUCXXHGR-JKSUJKDBSA-N 2 0 341.455 3.172 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918158 1331253722 /nfs/dbraw/zinc/25/37/22/1331253722.db2.gz MKEMJDQZWVMREP-IBGZPJMESA-N 2 0 345.531 3.029 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237400 1331402606 /nfs/dbraw/zinc/40/26/06/1331402606.db2.gz MSSUZZNUMBVBSM-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557863 1331972471 /nfs/dbraw/zinc/97/24/71/1331972471.db2.gz OABNJLKAHQQQKZ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597033 1331995825 /nfs/dbraw/zinc/99/58/25/1331995825.db2.gz IAAAGXHOYNNWJX-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821661 1332042300 /nfs/dbraw/zinc/04/23/00/1332042300.db2.gz GAJZFSQDIMXOSI-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089328 1332496818 /nfs/dbraw/zinc/49/68/18/1332496818.db2.gz FZUAPTAOSUMUHQ-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089052 1332497119 /nfs/dbraw/zinc/49/71/19/1332497119.db2.gz DSXBNMBUUIJQRJ-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586280 1332858129 /nfs/dbraw/zinc/85/81/29/1332858129.db2.gz ASKOUKNPLOIFBD-ZRNYENFQSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592549 1332859207 /nfs/dbraw/zinc/85/92/07/1332859207.db2.gz SIKUNDHILDGOAN-KDURUIRLSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CCC3CC3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947471711 1333141432 /nfs/dbraw/zinc/14/14/32/1333141432.db2.gz DZFKQYBUQVPWKK-YOEHRIQHSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CC1CCCC1 ZINC000947552259 1333169868 /nfs/dbraw/zinc/16/98/68/1333169868.db2.gz SWAFSGGXGZSWSE-QAPCUYQASA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC000947617391 1333194381 /nfs/dbraw/zinc/19/43/81/1333194381.db2.gz YBCMDNJKBBTAFB-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725712 1333241265 /nfs/dbraw/zinc/24/12/65/1333241265.db2.gz CARPCGUFQMIAOU-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947776451 1333258686 /nfs/dbraw/zinc/25/86/86/1333258686.db2.gz WFVIRFWEXDGUFI-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1=CCCCC1 ZINC000947780191 1333259728 /nfs/dbraw/zinc/25/97/28/1333259728.db2.gz XGZUVWRVPZIQCK-PXNSSMCTSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947882768 1333290506 /nfs/dbraw/zinc/29/05/06/1333290506.db2.gz WRRBWNSFSWNEEO-PKOBYXMFSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCC1CCCC1 ZINC000947934533 1333311601 /nfs/dbraw/zinc/31/16/01/1333311601.db2.gz KYMSJOPDUYIQJG-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1C/C=C\Cl ZINC000948065476 1333361551 /nfs/dbraw/zinc/36/15/51/1333361551.db2.gz JVKZJXQCTSWWAO-MIUTZJKYSA-N 2 0 349.906 3.083 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439170 1333525231 /nfs/dbraw/zinc/52/52/31/1333525231.db2.gz IWXGLFYEYOKDEZ-PKOBYXMFSA-N 2 0 335.536 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439764 1333526631 /nfs/dbraw/zinc/52/66/31/1333526631.db2.gz VDYZSDFPIOJJMU-PKOBYXMFSA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570578 1333581259 /nfs/dbraw/zinc/58/12/59/1333581259.db2.gz METWMYBKVVTJEL-QGZVFWFLSA-N 2 0 342.487 3.369 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948620609 1333599859 /nfs/dbraw/zinc/59/98/59/1333599859.db2.gz FUHGZWLCWNPHJZ-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742446 1333654584 /nfs/dbraw/zinc/65/45/84/1333654584.db2.gz JSMKIIPIHVMPKX-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000948755740 1333663439 /nfs/dbraw/zinc/66/34/39/1333663439.db2.gz KFDPVFRCRMXOTK-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767140 1333669428 /nfs/dbraw/zinc/66/94/28/1333669428.db2.gz QYYPERPITIMHGN-HKUYNNGSSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948770395 1333671081 /nfs/dbraw/zinc/67/10/81/1333671081.db2.gz HKKDRBSDXYQROV-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948829444 1333700910 /nfs/dbraw/zinc/70/09/10/1333700910.db2.gz NBPLSUWRPCOVLC-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829164 1333701303 /nfs/dbraw/zinc/70/13/03/1333701303.db2.gz FWMYSDBUTCLYBG-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)(C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1)[NH+]1CCCC1 ZINC000949623827 1333884788 /nfs/dbraw/zinc/88/47/88/1333884788.db2.gz NORNABNJSPMPMY-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC000950501294 1334082682 /nfs/dbraw/zinc/08/26/82/1334082682.db2.gz XFZMWTNNIVEELN-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968646202 1335995452 /nfs/dbraw/zinc/99/54/52/1335995452.db2.gz BVLLIQJZEBMDMX-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002664 1336115539 /nfs/dbraw/zinc/11/55/39/1336115539.db2.gz ZMKMMVQWPDIKGM-FHWLQOOXSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1)C12CC[NH+](CC1)C2 ZINC000969118321 1336149983 /nfs/dbraw/zinc/14/99/83/1336149983.db2.gz LNFCVJAZPRJRIT-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CCCC1CCC1)C12CC[NH+](CC1)C2 ZINC000969118367 1336150224 /nfs/dbraw/zinc/15/02/24/1336150224.db2.gz NEPZMTWPZKADFL-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000970026883 1336272777 /nfs/dbraw/zinc/27/27/77/1336272777.db2.gz JHAOPLXCAZJPBT-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1c(C(=O)N(C)C2CC[NH+](CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001005631696 1336385995 /nfs/dbraw/zinc/38/59/95/1336385995.db2.gz HWEXNTUSCNQJCK-UHFFFAOYSA-N 2 0 342.487 3.225 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001005885200 1336416111 /nfs/dbraw/zinc/41/61/11/1336416111.db2.gz VHHPZCKELAKANG-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)C(C)(C)c1cnc[nH]1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006291167 1336484365 /nfs/dbraw/zinc/48/43/65/1336484365.db2.gz APOYWAHMIXQCNI-UHFFFAOYSA-N 2 0 346.519 3.190 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001006444855 1336507720 /nfs/dbraw/zinc/50/77/20/1336507720.db2.gz XAMFAUHGVIUPTI-IRXDYDNUSA-N 2 0 337.552 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001007457488 1336650254 /nfs/dbraw/zinc/65/02/54/1336650254.db2.gz OKHMHRFPFVWKEK-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007790994 1336700847 /nfs/dbraw/zinc/70/08/47/1336700847.db2.gz YCSJXNWBTCQRME-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008537501 1336877104 /nfs/dbraw/zinc/87/71/04/1336877104.db2.gz DCMDHLBIBOLZBM-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204102 1336985737 /nfs/dbraw/zinc/98/57/37/1336985737.db2.gz UFHBKPVAZSPMIW-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009607635 1337045826 /nfs/dbraw/zinc/04/58/26/1337045826.db2.gz CCZPMKATHDJUCG-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001015611739 1338207786 /nfs/dbraw/zinc/20/77/86/1338207786.db2.gz MEGQQDBRCKFPAO-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015793592 1338313233 /nfs/dbraw/zinc/31/32/33/1338313233.db2.gz AOIHWNKEZMMUSC-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC001015930898 1338363353 /nfs/dbraw/zinc/36/33/53/1338363353.db2.gz VRCBJSSOTCUNCY-QLOJAFMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001016329197 1338552736 /nfs/dbraw/zinc/55/27/36/1338552736.db2.gz KKGPVAQZEGJODV-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)C2)c1 ZINC001016333883 1338553051 /nfs/dbraw/zinc/55/30/51/1338553051.db2.gz ZRTCAXDKLNJJJW-HXUWFJFHSA-N 2 0 341.499 3.053 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016631337 1338669160 /nfs/dbraw/zinc/66/91/60/1338669160.db2.gz REZSIOBIAIFBIX-IPMKNSEASA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016653005 1338679595 /nfs/dbraw/zinc/67/95/95/1338679595.db2.gz YEKDJRCZZHBTHV-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663369 1338683568 /nfs/dbraw/zinc/68/35/68/1338683568.db2.gz QEDWXXRMBNOTSZ-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016862216 1338751383 /nfs/dbraw/zinc/75/13/83/1338751383.db2.gz TXSYZKGPHTXWQI-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001017246062 1338976728 /nfs/dbraw/zinc/97/67/28/1338976728.db2.gz LWDDCQMFGQLKSJ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001017262651 1338989685 /nfs/dbraw/zinc/98/96/85/1338989685.db2.gz DKGXWIIENAAGBZ-OALUTQOASA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCCCC1 ZINC001017265810 1338991102 /nfs/dbraw/zinc/99/11/02/1338991102.db2.gz DIFONFCPVZNXTG-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCC1 ZINC001017265950 1338992319 /nfs/dbraw/zinc/99/23/19/1338992319.db2.gz HBXFDYYRVQFXFN-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001028087822 1340417642 /nfs/dbraw/zinc/41/76/42/1340417642.db2.gz AIJFZTXWYBSEAX-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001028335228 1340572111 /nfs/dbraw/zinc/57/21/11/1340572111.db2.gz QGHVFISZSFKTGF-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001028918363 1340883781 /nfs/dbraw/zinc/88/37/81/1340883781.db2.gz GBLUXFNJYJHVQR-OALUTQOASA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001029107426 1340931708 /nfs/dbraw/zinc/93/17/08/1340931708.db2.gz MTAZDWVLIJGZLJ-APWZRJJASA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1)[NH+]1CCCCC1 ZINC001029172823 1340948502 /nfs/dbraw/zinc/94/85/02/1340948502.db2.gz GQTHAXXXGSLCBX-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCCC1 ZINC001029242274 1340960275 /nfs/dbraw/zinc/96/02/75/1340960275.db2.gz XHGFMANZFRUZBF-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001029359509 1340977301 /nfs/dbraw/zinc/97/73/01/1340977301.db2.gz ATVZZYAMLRXZQW-HSALFYBXSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001029372082 1340979672 /nfs/dbraw/zinc/97/96/72/1340979672.db2.gz ZQACDUSNAOAVOK-KDURUIRLSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001029436751 1340990118 /nfs/dbraw/zinc/99/01/18/1340990118.db2.gz DUEFMKNXODMJNO-QRVBRYPASA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001029553628 1341011224 /nfs/dbraw/zinc/01/12/24/1341011224.db2.gz XCPANTXBGQBIAD-CADBVGFASA-N 2 0 349.563 3.218 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001029737582 1341058961 /nfs/dbraw/zinc/05/89/61/1341058961.db2.gz MGMNQWAWCZCSHY-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001029756111 1341064153 /nfs/dbraw/zinc/06/41/53/1341064153.db2.gz QSEGXBFIQNITPO-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001029964473 1341137011 /nfs/dbraw/zinc/13/70/11/1341137011.db2.gz KPLCHLHRNDPPTA-LYBXBRPPSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001030002897 1341154129 /nfs/dbraw/zinc/15/41/29/1341154129.db2.gz SAVRIZJPHVUVJK-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001030020530 1341159788 /nfs/dbraw/zinc/15/97/88/1341159788.db2.gz RDEHJBVOWAGAES-HOJAQTOUSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001030026637 1341160926 /nfs/dbraw/zinc/16/09/26/1341160926.db2.gz MHEZMIBSLXNZRR-QGZVKYPTSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001031254458 1341304342 /nfs/dbraw/zinc/30/43/42/1341304342.db2.gz SLTPKRCBOUASHB-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001031437577 1341342001 /nfs/dbraw/zinc/34/20/01/1341342001.db2.gz HVOSTAZAJBEOFU-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001031715588 1341391877 /nfs/dbraw/zinc/39/18/77/1341391877.db2.gz WSEZAGPMOCEWJP-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001032026283 1341441747 /nfs/dbraw/zinc/44/17/47/1341441747.db2.gz BRKGGZCKCDWTLO-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001032027734 1341442193 /nfs/dbraw/zinc/44/21/93/1341442193.db2.gz YMEUUMOFDIUOSS-FXAWDEMLSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032727165 1341593300 /nfs/dbraw/zinc/59/33/00/1341593300.db2.gz ZTEUQJQLWDAMKG-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033070968 1341715556 /nfs/dbraw/zinc/71/55/56/1341715556.db2.gz UVJJJTAMCTXZJH-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033070967 1341715597 /nfs/dbraw/zinc/71/55/97/1341715597.db2.gz UVJJJTAMCTXZJH-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033145570 1341738716 /nfs/dbraw/zinc/73/87/16/1341738716.db2.gz IEOFKDHVYUZPOP-RTBURBONSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467724 1341837717 /nfs/dbraw/zinc/83/77/17/1341837717.db2.gz RBXJILBLWOOSIL-ICSRJNTNSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033470886 1341839492 /nfs/dbraw/zinc/83/94/92/1341839492.db2.gz FOWCLDNMQLYCGF-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033470885 1341839732 /nfs/dbraw/zinc/83/97/32/1341839732.db2.gz FOWCLDNMQLYCGF-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699741 1341966575 /nfs/dbraw/zinc/96/65/75/1341966575.db2.gz PQXDBONNXDIMGS-DLBZAZTESA-N 2 0 349.519 3.314 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012464 1342149195 /nfs/dbraw/zinc/14/91/95/1342149195.db2.gz OZUFVZLIXFEQCM-XLIONFOSSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001034037768 1342177514 /nfs/dbraw/zinc/17/75/14/1342177514.db2.gz FGWUGCAVOJHTQH-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001034129848 1342258981 /nfs/dbraw/zinc/25/89/81/1342258981.db2.gz DLPRVUTWEHUBGI-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034204307 1342314835 /nfs/dbraw/zinc/31/48/35/1342314835.db2.gz LQHGXCYWERFAMU-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211052 1342321327 /nfs/dbraw/zinc/32/13/27/1342321327.db2.gz LEURAWQOVFDIHX-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001034329978 1342404059 /nfs/dbraw/zinc/40/40/59/1342404059.db2.gz KFTSZSUVMHFMMW-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034397750 1342465478 /nfs/dbraw/zinc/46/54/78/1342465478.db2.gz LEBPRZBGKVVDIC-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542866 1342602870 /nfs/dbraw/zinc/60/28/70/1342602870.db2.gz BPMFSQSMTXQWSY-WMZOPIPTSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034662188 1342676589 /nfs/dbraw/zinc/67/65/89/1342676589.db2.gz FURFKGONQRUNBE-LNLFQRSKSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001034704893 1342702730 /nfs/dbraw/zinc/70/27/30/1342702730.db2.gz YVLJJEKPUCDZDR-WGSAOQKQSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)C1 ZINC001034733864 1342727835 /nfs/dbraw/zinc/72/78/35/1342727835.db2.gz FZGIXSPLQXVLKF-IHPCNDPISA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736664 1342728978 /nfs/dbraw/zinc/72/89/78/1342728978.db2.gz ZVBVWJGLBPHNQE-IHPCNDPISA-N 2 0 347.547 3.378 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034738876 1342729884 /nfs/dbraw/zinc/72/98/84/1342729884.db2.gz XBFLCTANJIOKRD-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC001034810314 1342775516 /nfs/dbraw/zinc/77/55/16/1342775516.db2.gz DSEUCZNSLYGWPU-HXUWFJFHSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1)[NH+](C)C ZINC001034966501 1342855464 /nfs/dbraw/zinc/85/54/64/1342855464.db2.gz RZERMEZEKDMIOY-IPELMVKDSA-N 2 0 349.494 3.054 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034994711 1342868228 /nfs/dbraw/zinc/86/82/28/1342868228.db2.gz DVWHCENSWYWEJW-LJQANCHMSA-N 2 0 338.455 3.029 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001035028030 1342884958 /nfs/dbraw/zinc/88/49/58/1342884958.db2.gz HYMKWWMEMXIEPQ-QGZVKYPTSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185649 1343000117 /nfs/dbraw/zinc/00/01/17/1343000117.db2.gz YGXBSKOTDILOCR-IBGZPJMESA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244223 1343065268 /nfs/dbraw/zinc/06/52/68/1343065268.db2.gz LYTMSORFGAUCST-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247232 1343070414 /nfs/dbraw/zinc/07/04/14/1343070414.db2.gz UGHBQSBMDPUWLL-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(CC[N@H+](CC)C3)CC2)o1 ZINC001035256736 1343082270 /nfs/dbraw/zinc/08/22/70/1343082270.db2.gz DXBWOHKPMJKREV-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035256938 1343083083 /nfs/dbraw/zinc/08/30/83/1343083083.db2.gz PCMGOROPOPTYQI-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1)[NH+](C)C ZINC001035787792 1343200161 /nfs/dbraw/zinc/20/01/61/1343200161.db2.gz UGBWZRTVVYXURQ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035837170 1343220510 /nfs/dbraw/zinc/22/05/10/1343220510.db2.gz QNNKJZDCQCTLEU-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036097012 1343311813 /nfs/dbraw/zinc/31/18/13/1343311813.db2.gz QXBYLQIYSFPLJR-VQIMIIECSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036137512 1343323208 /nfs/dbraw/zinc/32/32/08/1343323208.db2.gz NJXSILWZTLXTRJ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036202780 1343361254 /nfs/dbraw/zinc/36/12/54/1343361254.db2.gz KJJIIIYDJGIBSX-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036311621 1343413466 /nfs/dbraw/zinc/41/34/66/1343413466.db2.gz PXAMWDWBHQQPHM-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001036460979 1343498313 /nfs/dbraw/zinc/49/83/13/1343498313.db2.gz PBMJLLVLKYMYBY-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001036460980 1343498481 /nfs/dbraw/zinc/49/84/81/1343498481.db2.gz PBMJLLVLKYMYBY-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755268 1343677621 /nfs/dbraw/zinc/67/76/21/1343677621.db2.gz TWJCGUNLUJGBKA-IEBWSBKVSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001037238007 1344061158 /nfs/dbraw/zinc/06/11/58/1344061158.db2.gz XFHLUFFKELSCCQ-UXHICEINSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001037238597 1344061376 /nfs/dbraw/zinc/06/13/76/1344061376.db2.gz YUUXEBIYURXYJU-RBUKOAKNSA-N 2 0 331.504 3.035 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC001037240757 1344063067 /nfs/dbraw/zinc/06/30/67/1344063067.db2.gz MIJOIDLJDQDZTP-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001037852871 1344139675 /nfs/dbraw/zinc/13/96/75/1344139675.db2.gz SRDRKGZGGHTTLJ-GOEBONIOSA-N 2 0 337.533 3.050 20 0 EGADRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001037979647 1344217467 /nfs/dbraw/zinc/21/74/67/1344217467.db2.gz TYIPSYDOLUCZLY-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1CC ZINC001037989667 1344223488 /nfs/dbraw/zinc/22/34/88/1344223488.db2.gz GXNWFIQAPMOTJI-SJLPKXTDSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038241925 1344339731 /nfs/dbraw/zinc/33/97/31/1344339731.db2.gz XFPJCVXQKXHILJ-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCC2)ccc2c[nH+]cn21 ZINC001038431029 1344425810 /nfs/dbraw/zinc/42/58/10/1344425810.db2.gz GLCDAJHMSJEGCB-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038448558 1344430497 /nfs/dbraw/zinc/43/04/97/1344430497.db2.gz JAIFFMLXOVEHBW-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1CCCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038464105 1344435013 /nfs/dbraw/zinc/43/50/13/1344435013.db2.gz ZIKDRAACONDXLA-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001038463706 1344435641 /nfs/dbraw/zinc/43/56/41/1344435641.db2.gz VKOKCGXYTKSSQP-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038620261 1344508081 /nfs/dbraw/zinc/50/80/81/1344508081.db2.gz BOPOKDAYHDBVRB-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCC(C)CC2)CC1 ZINC001038861867 1344617457 /nfs/dbraw/zinc/61/74/57/1344617457.db2.gz CHBGPYJTBRDCAM-QLOJAFMTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131589 1344809908 /nfs/dbraw/zinc/80/99/08/1344809908.db2.gz QEMGVPKCDCSLGH-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132535 1344810713 /nfs/dbraw/zinc/81/07/13/1344810713.db2.gz NTDFJBQPXKPVIS-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001039159660 1344845013 /nfs/dbraw/zinc/84/50/13/1344845013.db2.gz UEZMBKDEFNWRNL-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167257 1344854291 /nfs/dbraw/zinc/85/42/91/1344854291.db2.gz PXFDOPWOVCJSCS-UXHICEINSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1)[NH+]1CCCC1 ZINC001039176237 1344868743 /nfs/dbraw/zinc/86/87/43/1344868743.db2.gz QEIODDDHFSVSNR-VQTJNVASSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205220 1344916591 /nfs/dbraw/zinc/91/65/91/1344916591.db2.gz NGXXMRJQDROKOP-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243111 1344970158 /nfs/dbraw/zinc/97/01/58/1344970158.db2.gz SNCZIUIZUGLOTA-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039301655 1345004228 /nfs/dbraw/zinc/00/42/28/1345004228.db2.gz LJNURNDQALCIGO-XVLXNVKGSA-N 2 0 335.536 3.159 20 0 EGADRP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039313919 1345009521 /nfs/dbraw/zinc/00/95/21/1345009521.db2.gz XLOYUJISZLJBMX-XVLXNVKGSA-N 2 0 335.536 3.019 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001039422709 1345061118 /nfs/dbraw/zinc/06/11/18/1345061118.db2.gz LWTLTQIFDGRTJB-HSALFYBXSA-N 2 0 347.547 3.259 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039448017 1345072619 /nfs/dbraw/zinc/07/26/19/1345072619.db2.gz RCCLUUIXWNQULP-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474561 1345089169 /nfs/dbraw/zinc/08/91/69/1345089169.db2.gz OOOQPELIINANQU-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2)[NH+](C)C ZINC001040381557 1345466482 /nfs/dbraw/zinc/46/64/82/1345466482.db2.gz XLLKUBGULWTJRW-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040453687 1345508070 /nfs/dbraw/zinc/50/80/70/1345508070.db2.gz QNGKTUBLXBBHQK-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040700021 1345567280 /nfs/dbraw/zinc/56/72/80/1345567280.db2.gz GKNZTPBENBLROQ-LJQANCHMSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040732310 1345572153 /nfs/dbraw/zinc/57/21/53/1345572153.db2.gz GSZPRMRFDFDCTJ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2)[NH+](C)C ZINC001040836653 1345585702 /nfs/dbraw/zinc/58/57/02/1345585702.db2.gz VIMCYPZZJWKQNM-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040875214 1345592702 /nfs/dbraw/zinc/59/27/02/1345592702.db2.gz WFDNIDVMMOQAKW-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC001041301493 1345696165 /nfs/dbraw/zinc/69/61/65/1345696165.db2.gz MVBNELMKCYDQKJ-WAOWUJCRSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357367 1345708471 /nfs/dbraw/zinc/70/84/71/1345708471.db2.gz GVBJKXMOEGNNII-PZJWPPBQSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424836 1345725781 /nfs/dbraw/zinc/72/57/81/1345725781.db2.gz PKXJTQFPIKQYOB-NRFANRHFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041845226 1345871550 /nfs/dbraw/zinc/87/15/50/1345871550.db2.gz VPBFIXJCUUKFDT-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041845949 1345871669 /nfs/dbraw/zinc/87/16/69/1345871669.db2.gz STQAROPCYQQKEF-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001044681330 1346402459 /nfs/dbraw/zinc/40/24/59/1346402459.db2.gz LSIRVJYNWXEBGH-QFBILLFUSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767589 1346424643 /nfs/dbraw/zinc/42/46/43/1346424643.db2.gz PLFNBOGOXKXSQJ-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001045438597 1346594023 /nfs/dbraw/zinc/59/40/23/1346594023.db2.gz SQTXVVNCBCRXCG-SFHVURJKSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC3CCCCCC3)CC2)CC1 ZINC001045543818 1346624355 /nfs/dbraw/zinc/62/43/55/1346624355.db2.gz QAFLWTBXHIWZDD-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH+]1CCC(C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001045556948 1346628925 /nfs/dbraw/zinc/62/89/25/1346628925.db2.gz QXNGUENWBNWZDY-UHFFFAOYSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045620509 1346650199 /nfs/dbraw/zinc/65/01/99/1346650199.db2.gz SOBUQOHZHXZRGS-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001045792920 1346699773 /nfs/dbraw/zinc/69/97/73/1346699773.db2.gz JUBTZNDOIPQVDD-AQNXPRMDSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001045796833 1346700691 /nfs/dbraw/zinc/70/06/91/1346700691.db2.gz BXNYAAFTAYDLLC-SQNIBIBYSA-N 2 0 337.552 3.074 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001045847932 1346719950 /nfs/dbraw/zinc/71/99/50/1346719950.db2.gz YZSMQYYIQDXQSR-SXLOBPIMSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939002 1346775151 /nfs/dbraw/zinc/77/51/51/1346775151.db2.gz RLZVWEJYIDDXMI-QKNQBKEWSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949319 1346784126 /nfs/dbraw/zinc/78/41/26/1346784126.db2.gz DHELIBLZKSZPTD-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001046330044 1346936417 /nfs/dbraw/zinc/93/64/17/1346936417.db2.gz FCNJJFAIVBRCOK-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CCC(C)(C)C)C2)cc1 ZINC001046707096 1347068720 /nfs/dbraw/zinc/06/87/20/1347068720.db2.gz OUXDIHLQIQVDPM-NRFANRHFSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC3CCC3)C2)o1 ZINC001046863818 1347136720 /nfs/dbraw/zinc/13/67/20/1347136720.db2.gz ILONLALIDICSFV-FQEVSTJZSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047923917 1347411236 /nfs/dbraw/zinc/41/12/36/1347411236.db2.gz JQWXRBHPSUYFPF-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001048282328 1347509303 /nfs/dbraw/zinc/50/93/03/1347509303.db2.gz ZXKGNOSPVISHLE-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538460 1347583597 /nfs/dbraw/zinc/58/35/97/1347583597.db2.gz VMVDJKBMIAORBQ-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583229 1347605585 /nfs/dbraw/zinc/60/55/85/1347605585.db2.gz GZDLNOOZECDUPS-OMZCGLGVSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001048583395 1347605771 /nfs/dbraw/zinc/60/57/71/1347605771.db2.gz JIIYVNADEOKVSW-YRPNKDGESA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048618767 1347620478 /nfs/dbraw/zinc/62/04/78/1347620478.db2.gz BUONXYQIPXWXLU-UFYCRDLUSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476094 1347867762 /nfs/dbraw/zinc/86/77/62/1347867762.db2.gz CARLRVTZSAMFAY-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561536 1347910074 /nfs/dbraw/zinc/91/00/74/1347910074.db2.gz MLFRZURVPLTFTQ-RBUKOAKNSA-N 2 0 340.471 3.122 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566296 1347913355 /nfs/dbraw/zinc/91/33/55/1347913355.db2.gz BLAGJSFLKXRGDE-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCC(C)C)C1 ZINC001049661963 1347961648 /nfs/dbraw/zinc/96/16/48/1347961648.db2.gz CNFQCKAZIYFIRC-UFYCRDLUSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049703659 1347981662 /nfs/dbraw/zinc/98/16/62/1347981662.db2.gz LXKGBBOBAYZDQJ-FGTMMUONSA-N 2 0 337.552 3.074 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001049711509 1347986382 /nfs/dbraw/zinc/98/63/82/1347986382.db2.gz MOONIKFQWRGSOL-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789499 1348023149 /nfs/dbraw/zinc/02/31/49/1348023149.db2.gz AJPVNCUBPKWQIW-VQTJNVASSA-N 2 0 343.515 3.083 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1 ZINC001049892799 1348096670 /nfs/dbraw/zinc/09/66/70/1348096670.db2.gz AHIBCXHTUCKTLU-WOJBJXKFSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049908352 1348105973 /nfs/dbraw/zinc/10/59/73/1348105973.db2.gz HVHMXJKYRHLOGI-WOJBJXKFSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001050253655 1348219400 /nfs/dbraw/zinc/21/94/00/1348219400.db2.gz MSIDIMABPFCLSS-FXAWDEMLSA-N 2 0 345.531 3.263 20 0 EGADRP CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001050265759 1348223450 /nfs/dbraw/zinc/22/34/50/1348223450.db2.gz RJIZBJATKHSSQF-AWEZNQCLSA-N 2 0 336.439 3.243 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050392832 1348248970 /nfs/dbraw/zinc/24/89/70/1348248970.db2.gz IQZXWLNEAIZCPN-BMOGMMAESA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[NH+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC001050537027 1348285686 /nfs/dbraw/zinc/28/56/86/1348285686.db2.gz RRZPRCWQXSZAIU-UHFFFAOYSA-N 2 0 349.544 3.004 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H](C)CC)CC3)C1 ZINC001050630178 1348308764 /nfs/dbraw/zinc/30/87/64/1348308764.db2.gz LIVHCQVVAVDTIW-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001079848597 1357400685 /nfs/dbraw/zinc/40/06/85/1357400685.db2.gz CXFHZZNYJSDJKM-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001079848527 1357400917 /nfs/dbraw/zinc/40/09/17/1357400917.db2.gz AIICFKKGHHTFRN-KZNAEPCWSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447423 1348543982 /nfs/dbraw/zinc/54/39/82/1348543982.db2.gz DVMPCZOZZBSVFN-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001052620704 1348598091 /nfs/dbraw/zinc/59/80/91/1348598091.db2.gz RVGANVIZQLKQOA-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052712686 1348644820 /nfs/dbraw/zinc/64/48/20/1348644820.db2.gz NLMRQUZFHDJUAF-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052712896 1348645079 /nfs/dbraw/zinc/64/50/79/1348645079.db2.gz PKLHFIMIDFGZAE-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC001052715969 1348645422 /nfs/dbraw/zinc/64/54/22/1348645422.db2.gz KEGMVYVWITUHAI-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052763712 1348668956 /nfs/dbraw/zinc/66/89/56/1348668956.db2.gz JCVPSMGAGRCSQD-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765464 1348669856 /nfs/dbraw/zinc/66/98/56/1348669856.db2.gz ZYIASDCGMHYMML-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052765053 1348670255 /nfs/dbraw/zinc/67/02/55/1348670255.db2.gz VLOQZYLUZJURRM-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052955065 1348768330 /nfs/dbraw/zinc/76/83/30/1348768330.db2.gz YGWZEUXWPHVHFB-XLIONFOSSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954966 1348768598 /nfs/dbraw/zinc/76/85/98/1348768598.db2.gz XKDUMRMMPJVQSY-RBUKOAKNSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052956560 1348771237 /nfs/dbraw/zinc/77/12/37/1348771237.db2.gz UUJGMVMDVTYBKD-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052959878 1348772997 /nfs/dbraw/zinc/77/29/97/1348772997.db2.gz ZNMSWKRTUPGAHX-QZTJIDSGSA-N 2 0 349.494 3.081 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042408 1348843876 /nfs/dbraw/zinc/84/38/76/1348843876.db2.gz PSPVPDIRDZFCMD-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053096923 1348926578 /nfs/dbraw/zinc/92/65/78/1348926578.db2.gz BHSIGCXJUSGPRT-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107359 1348946744 /nfs/dbraw/zinc/94/67/44/1348946744.db2.gz FWKLYXCQSKMHDR-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054197614 1349200551 /nfs/dbraw/zinc/20/05/51/1349200551.db2.gz FVEDWQBGIVOFRU-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001054266459 1349263828 /nfs/dbraw/zinc/26/38/28/1349263828.db2.gz WXHSTHUPOHESAB-JXXFODFXSA-N 2 0 343.515 3.005 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001054648135 1349428028 /nfs/dbraw/zinc/42/80/28/1349428028.db2.gz HYBABXIGUXIFTG-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054724934 1349447860 /nfs/dbraw/zinc/44/78/60/1349447860.db2.gz ABSBTRWMSYWMGU-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC001054968175 1349530684 /nfs/dbraw/zinc/53/06/84/1349530684.db2.gz CZSUFOKQLFNMDD-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554429 1357677171 /nfs/dbraw/zinc/67/71/71/1357677171.db2.gz OVNUVQXBENIKAT-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600635 1354788914 /nfs/dbraw/zinc/78/89/14/1354788914.db2.gz OLAIYKAYOYWLPW-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001071627390 1354811336 /nfs/dbraw/zinc/81/13/36/1354811336.db2.gz FCFWAXQFXQJCCP-YOEHRIQHSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071645584 1354823869 /nfs/dbraw/zinc/82/38/69/1354823869.db2.gz KZTRZXAPKOVNHA-WMZOPIPTSA-N 2 0 347.547 3.020 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165165 1387270717 /nfs/dbraw/zinc/27/07/17/1387270717.db2.gz QDQWRPKNECDTRP-QLUPPNIVSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CCCCC1 ZINC001071735338 1354887360 /nfs/dbraw/zinc/88/73/60/1354887360.db2.gz KNISQLFONWMKFL-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001071738962 1354889256 /nfs/dbraw/zinc/88/92/56/1354889256.db2.gz LPTDLXLRGLRTRW-PKOBYXMFSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCC1CCCC1 ZINC001071822486 1354962178 /nfs/dbraw/zinc/96/21/78/1354962178.db2.gz XSUHZMGOLXLDHV-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3=CCCCC3)C2)CC1 ZINC001071920482 1355025292 /nfs/dbraw/zinc/02/52/92/1355025292.db2.gz SCOFZWFQDLZQHG-UYAOXDASSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953880 1355040181 /nfs/dbraw/zinc/04/01/81/1355040181.db2.gz GUDVAEBNOTVTGR-IEBWSBKVSA-N 2 0 335.536 3.042 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001072081019 1355118648 /nfs/dbraw/zinc/11/86/48/1355118648.db2.gz FQWPZLNPHFQTEM-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1CC1CCC1 ZINC001072095410 1355126433 /nfs/dbraw/zinc/12/64/33/1355126433.db2.gz HUUGXXQMUNJZFD-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095771 1355127475 /nfs/dbraw/zinc/12/74/75/1355127475.db2.gz OCCWJYKKFLCVAI-FXAWDEMLSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072989926 1355536453 /nfs/dbraw/zinc/53/64/53/1355536453.db2.gz PVROBHVQUODUDJ-MOPGFXCFSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)[NH+]1CCCC1 ZINC001073460814 1355794513 /nfs/dbraw/zinc/79/45/13/1355794513.db2.gz WGCDSJBISSZELU-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1)[NH+](C)C ZINC001074028741 1356043076 /nfs/dbraw/zinc/04/30/76/1356043076.db2.gz JGMQSEDQJFOKFY-WOJBJXKFSA-N 2 0 345.531 3.148 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001074686222 1356224140 /nfs/dbraw/zinc/22/41/40/1356224140.db2.gz ZORYHQNCVMNHID-IHPCNDPISA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074826005 1356256579 /nfs/dbraw/zinc/25/65/79/1356256579.db2.gz QMZYEKWCWUDZBP-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832411 1356260158 /nfs/dbraw/zinc/26/01/58/1356260158.db2.gz LXUHJHLHSINJHF-ZULIPRJHSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC1 ZINC001075457051 1356389389 /nfs/dbraw/zinc/38/93/89/1356389389.db2.gz HWHYGZCOPOBRNK-NSHGMRRFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099315155 1363745590 /nfs/dbraw/zinc/74/55/90/1363745590.db2.gz BYIFLOFVRREROT-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC001323206172 1387311182 /nfs/dbraw/zinc/31/11/82/1387311182.db2.gz JVZOWUZFJXAGLY-FQEVSTJZSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084476239 1358222887 /nfs/dbraw/zinc/22/28/87/1358222887.db2.gz PHADDCOLGBXIAN-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049701 1358378646 /nfs/dbraw/zinc/37/86/46/1358378646.db2.gz SMWYJDVMXOZOHG-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101377 1358391713 /nfs/dbraw/zinc/39/17/13/1358391713.db2.gz HDVAYNQZBYBREY-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085196956 1358431516 /nfs/dbraw/zinc/43/15/16/1358431516.db2.gz WKJVPNGLCHAWNB-AQNXPRMDSA-N 2 0 349.563 3.457 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085225379 1358437654 /nfs/dbraw/zinc/43/76/54/1358437654.db2.gz TUTZBSLPXWKBGY-AQNXPRMDSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085308099 1358461719 /nfs/dbraw/zinc/46/17/19/1358461719.db2.gz CTHYKAJOYZJVSS-AQNXPRMDSA-N 2 0 349.563 3.457 20 0 EGADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085308169 1358462050 /nfs/dbraw/zinc/46/20/50/1358462050.db2.gz GMRASAUYROFGBA-QRVBRYPASA-N 2 0 335.536 3.211 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085331884 1358470245 /nfs/dbraw/zinc/47/02/45/1358470245.db2.gz CLAMJCVJIZRAAJ-DFQSSKMNSA-N 2 0 349.563 3.458 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085629427 1358646150 /nfs/dbraw/zinc/64/61/50/1358646150.db2.gz UDIKGFBXUOZCAG-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699003 1358693560 /nfs/dbraw/zinc/69/35/60/1358693560.db2.gz CWEXYUCIVRAINE-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(CC)CC)C1 ZINC001085779404 1358753352 /nfs/dbraw/zinc/75/33/52/1358753352.db2.gz UWCRZHQEDZTNEG-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)ccc2c[nH+]cn21 ZINC001183843727 1387357653 /nfs/dbraw/zinc/35/76/53/1387357653.db2.gz FFZLWJMGVOUBEL-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086175357 1359015342 /nfs/dbraw/zinc/01/53/42/1359015342.db2.gz SMKGIDZKYFMUHZ-SLFFLAALSA-N 2 0 347.547 3.093 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086278128 1359051564 /nfs/dbraw/zinc/05/15/64/1359051564.db2.gz JAEKNMFAPABUDL-IZAXUBKRSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086364621 1359078382 /nfs/dbraw/zinc/07/83/82/1359078382.db2.gz LHCKXSQNHZZUQX-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086694146 1359187357 /nfs/dbraw/zinc/18/73/57/1359187357.db2.gz FBYSWAGYYPOJHH-XUVXKRRUSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784796 1359201351 /nfs/dbraw/zinc/20/13/51/1359201351.db2.gz TWFSGEQXKFTMGA-NSHGMRRFSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)C3)C2)CC1 ZINC001086842712 1359211937 /nfs/dbraw/zinc/21/19/37/1359211937.db2.gz QWXFFSPYWWIBOC-PAQOUXTFSA-N 2 0 349.563 3.027 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(C)C)C2)o1 ZINC001086886394 1359221491 /nfs/dbraw/zinc/22/14/91/1359221491.db2.gz AARGCXDPZRGMPK-DLBZAZTESA-N 2 0 349.519 3.266 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907786 1359236149 /nfs/dbraw/zinc/23/61/49/1359236149.db2.gz BNYSCOREVKADKI-PKOBYXMFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC2(CN1C(=O)[C@@H]1CCC[N@@H+]1C)CC[NH+](CCC(C)(C)C)CC2 ZINC001086910441 1359238065 /nfs/dbraw/zinc/23/80/65/1359238065.db2.gz TWPKTTFJQOVABP-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921510 1359248459 /nfs/dbraw/zinc/24/84/59/1359248459.db2.gz RJJPEPTWIQPVLH-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926711 1359251447 /nfs/dbraw/zinc/25/14/47/1359251447.db2.gz HTCOVHKAMRDFLY-ZWKOTPCHSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001086930930 1359254811 /nfs/dbraw/zinc/25/48/11/1359254811.db2.gz UNUGXMZMEOFGDC-MRXNPFEDSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001086932708 1359256319 /nfs/dbraw/zinc/25/63/19/1359256319.db2.gz RTSKVARNCPNORP-INIZCTEOSA-N 2 0 340.471 3.059 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087204771 1359321012 /nfs/dbraw/zinc/32/10/12/1359321012.db2.gz MOLWXOSOGFDCQT-UMGGQSCQSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001087522870 1359509894 /nfs/dbraw/zinc/50/98/94/1359509894.db2.gz ALRLDSHGJRZPMX-IPMKNSEASA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001087684932 1359588312 /nfs/dbraw/zinc/58/83/12/1359588312.db2.gz XPOJMSQBXVESDC-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087749902 1359625975 /nfs/dbraw/zinc/62/59/75/1359625975.db2.gz GUBKKRIYGQENEU-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087749807 1359626091 /nfs/dbraw/zinc/62/60/91/1359626091.db2.gz AUEQRIUGSIGKIV-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762733 1359632627 /nfs/dbraw/zinc/63/26/27/1359632627.db2.gz KVSNBLBDPNHHEN-CEXWTWQISA-N 2 0 349.494 3.079 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088280727 1359825798 /nfs/dbraw/zinc/82/57/98/1359825798.db2.gz YOVPWRKCNJSZIR-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327194 1359831622 /nfs/dbraw/zinc/83/16/22/1359831622.db2.gz HSIZVYKUEZEESY-IEBWSBKVSA-N 2 0 335.536 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001088367466 1359851529 /nfs/dbraw/zinc/85/15/29/1359851529.db2.gz KQJXCGNDHHZHHL-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413117 1359884008 /nfs/dbraw/zinc/88/40/08/1359884008.db2.gz YQCHCQBNTRPMNE-CTNGQTDRSA-N 2 0 345.531 3.234 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088425857 1359894621 /nfs/dbraw/zinc/89/46/21/1359894621.db2.gz FTILDJXYTUELFB-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088579586 1359978960 /nfs/dbraw/zinc/97/89/60/1359978960.db2.gz QQASCPZYBBHYKD-BTHPGYMESA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088620382 1359992878 /nfs/dbraw/zinc/99/28/78/1359992878.db2.gz HRPWKRHRKAAAAA-HOJAQTOUSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCC1CCCC1 ZINC001088749117 1360030177 /nfs/dbraw/zinc/03/01/77/1360030177.db2.gz OWRPEUKZJYHUAF-BEFAXECRSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@@H+]1CCCC1CCCC1 ZINC001089006892 1360134912 /nfs/dbraw/zinc/13/49/12/1360134912.db2.gz DVDJMRIBWUHTDN-LMNJBCLMSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001089060909 1360152276 /nfs/dbraw/zinc/15/22/76/1360152276.db2.gz MQDAVTWNCSELEH-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001089261858 1360290131 /nfs/dbraw/zinc/29/01/31/1360290131.db2.gz RPTCMVCJNGKVTR-QUCCMNQESA-N 2 0 343.515 3.156 20 0 EGADRP C[N@H+](C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1)CC1CCCCCC1 ZINC001089261611 1360290153 /nfs/dbraw/zinc/29/01/53/1360290153.db2.gz OIBXHUFMNUTLCC-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382497 1360383721 /nfs/dbraw/zinc/38/37/21/1360383721.db2.gz RTHNTJKKBFAZBO-QZTJIDSGSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089381817 1360384476 /nfs/dbraw/zinc/38/44/76/1360384476.db2.gz OQYFEPHJKQUMIW-OALUTQOASA-N 2 0 349.563 3.432 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401309 1360400970 /nfs/dbraw/zinc/40/09/70/1360400970.db2.gz RRRZCXRCYIQZLW-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486712 1360466875 /nfs/dbraw/zinc/46/68/75/1360466875.db2.gz BUIHSXSAFUXREN-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089647297 1360560380 /nfs/dbraw/zinc/56/03/80/1360560380.db2.gz UXRJWZHWYJWUPN-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001089663022 1360573555 /nfs/dbraw/zinc/57/35/55/1360573555.db2.gz HUMICGCKZFTKOC-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CC2)CC1 ZINC001089718862 1360620562 /nfs/dbraw/zinc/62/05/62/1360620562.db2.gz WBMBUQBBYFRIAR-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CN(C)c1ncccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001323932398 1387498282 /nfs/dbraw/zinc/49/82/82/1387498282.db2.gz XJMFYTJUQQYNOE-UHFFFAOYSA-N 2 0 330.520 3.236 20 0 EGADRP CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001184694832 1387512066 /nfs/dbraw/zinc/51/20/66/1387512066.db2.gz ZQUBGBVOWCRZJW-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094585067 1361871074 /nfs/dbraw/zinc/87/10/74/1361871074.db2.gz LVCXWJQQAGVMOT-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001095405064 1362129834 /nfs/dbraw/zinc/12/98/34/1362129834.db2.gz MIJJNIFHXABHIP-FYQPLNBISA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095416256 1362132946 /nfs/dbraw/zinc/13/29/46/1362132946.db2.gz TUWCUYJGUDFRHX-SQNIBIBYSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415305 1362133112 /nfs/dbraw/zinc/13/31/12/1362133112.db2.gz UJRGEWYAZNOPPE-MHORFTMASA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415235 1362133232 /nfs/dbraw/zinc/13/32/32/1362133232.db2.gz QICZVHCIFZUHBK-QYZOEREBSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001184936105 1387565163 /nfs/dbraw/zinc/56/51/63/1387565163.db2.gz ZKLXISLXFQSEOT-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001097063066 1362829446 /nfs/dbraw/zinc/82/94/46/1362829446.db2.gz DQKPLOOHFOXDIV-ZRNYENFQSA-N 2 0 347.547 3.161 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001324334119 1387596055 /nfs/dbraw/zinc/59/60/55/1387596055.db2.gz KAQLCJNBKXPSIV-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCCC2)C1 ZINC001098394650 1363315938 /nfs/dbraw/zinc/31/59/38/1363315938.db2.gz PHAZCNFOZABHLM-WTGUMLROSA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C1CCCC1 ZINC001098812260 1363477782 /nfs/dbraw/zinc/47/77/82/1363477782.db2.gz AMTBFZMJEMEAHS-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1)C1CCCC1 ZINC001098822272 1363482674 /nfs/dbraw/zinc/48/26/74/1363482674.db2.gz YEYFTHMUKAKTNM-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001099075156 1363609750 /nfs/dbraw/zinc/60/97/50/1363609750.db2.gz VINQZFUNNMYEAU-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099235144 1363706304 /nfs/dbraw/zinc/70/63/04/1363706304.db2.gz POZIWVUXWVIYCP-PWBPZBFBSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099239606 1363708104 /nfs/dbraw/zinc/70/81/04/1363708104.db2.gz HNBQWXLHEVMMOB-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099309153 1363741640 /nfs/dbraw/zinc/74/16/40/1363741640.db2.gz AIIAHSJQPWLNDT-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C/C=C/Cl ZINC001099310669 1363743688 /nfs/dbraw/zinc/74/36/88/1363743688.db2.gz SGLGLPBZFWWWEF-BPLPYTOXSA-N 2 0 343.943 3.078 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099334716 1363755855 /nfs/dbraw/zinc/75/58/55/1363755855.db2.gz MDDRRJSXCMNSGZ-YZBXUTEPSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099520893 1363831104 /nfs/dbraw/zinc/83/11/04/1363831104.db2.gz PFJADNSWMTUKLR-YRPNKDGESA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1)C1CCCC1)[NH+](C)C ZINC001324497632 1387651817 /nfs/dbraw/zinc/65/18/17/1387651817.db2.gz MNSYJRRPTGWGNB-PMACEKPBSA-N 2 0 345.531 3.100 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319329 1364079310 /nfs/dbraw/zinc/07/93/10/1364079310.db2.gz HRKCZMNRRDNQEE-XIMCWOHTSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100406726 1364104123 /nfs/dbraw/zinc/10/41/23/1364104123.db2.gz KLDBOGLCXQYKLH-MHJFOBGBSA-N 2 0 347.547 3.234 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001100456945 1364120746 /nfs/dbraw/zinc/12/07/46/1364120746.db2.gz JPQIEZLJQIMUNY-SYJJWHGVSA-N 2 0 349.494 3.101 20 0 EGADRP CC[C@H]([NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001100620963 1364192686 /nfs/dbraw/zinc/19/26/86/1364192686.db2.gz GKXRYRNJNNPCDN-PPSBMQLTSA-N 2 0 349.494 3.103 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765903 1364251563 /nfs/dbraw/zinc/25/15/63/1364251563.db2.gz GZLODYWLGYGSNS-ACBHZAAOSA-N 2 0 339.568 3.273 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001101024932 1364380043 /nfs/dbraw/zinc/38/00/43/1364380043.db2.gz MYFNONRSCBUGAW-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101344800 1364519355 /nfs/dbraw/zinc/51/93/55/1364519355.db2.gz DWAFXSNHRLHVDM-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001101428848 1364559417 /nfs/dbraw/zinc/55/94/17/1364559417.db2.gz PSLXEJZRGYKEGS-QUCCMNQESA-N 2 0 337.552 3.077 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001101546667 1364610786 /nfs/dbraw/zinc/61/07/86/1364610786.db2.gz LCLFEEONMRKLDK-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001101546666 1364611075 /nfs/dbraw/zinc/61/10/75/1364611075.db2.gz LCLFEEONMRKLDK-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983822 1364799442 /nfs/dbraw/zinc/79/94/42/1364799442.db2.gz MZUXDFVGQJXNTH-DFPBPIFESA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040554 1364820642 /nfs/dbraw/zinc/82/06/42/1364820642.db2.gz NKEXOCDNDJOYHF-PFRNKHFKSA-N 2 0 349.563 3.005 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102184909 1364922120 /nfs/dbraw/zinc/92/21/20/1364922120.db2.gz YJKKYZWDOPAFLJ-RTBURBONSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001102368522 1365026788 /nfs/dbraw/zinc/02/67/88/1365026788.db2.gz YBWFTGBJHGLHHE-QWFCFKBJSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596561 1365130680 /nfs/dbraw/zinc/13/06/80/1365130680.db2.gz MIRZFLSJODFWJK-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001324669091 1387725726 /nfs/dbraw/zinc/72/57/26/1387725726.db2.gz LAGFYDDSJJAUEY-HXUWFJFHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185525870 1387739085 /nfs/dbraw/zinc/73/90/85/1387739085.db2.gz GYCXEGLCJHJXFO-OALUTQOASA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140193 1365403485 /nfs/dbraw/zinc/40/34/85/1365403485.db2.gz RISFRHLXALOYCJ-QLTKYKRFSA-N 2 0 337.552 3.147 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140192 1365403718 /nfs/dbraw/zinc/40/37/18/1365403718.db2.gz RISFRHLXALOYCJ-FMABSTRRSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103233784 1365446807 /nfs/dbraw/zinc/44/68/07/1365446807.db2.gz RMXGPPDAMJJPDG-IAGOWNOFSA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360639 1365517372 /nfs/dbraw/zinc/51/73/72/1365517372.db2.gz NQENMQXWGCDBSS-QWFCFKBJSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001103495781 1365597381 /nfs/dbraw/zinc/59/73/81/1365597381.db2.gz SUFPFDGYZUSPRY-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C)C(C)C ZINC001103544492 1365624989 /nfs/dbraw/zinc/62/49/89/1365624989.db2.gz VBGUGPBTRNLEQO-GUDVDZBRSA-N 2 0 339.568 3.083 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)[NH+](CC)CC ZINC001185609182 1387760265 /nfs/dbraw/zinc/76/02/65/1387760265.db2.gz FGUBNQNNHHPWSU-WANZOYLWSA-N 2 0 343.515 3.011 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001185600033 1387759097 /nfs/dbraw/zinc/75/90/97/1387759097.db2.gz IULIEIKEFZLZPI-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750889 1365763937 /nfs/dbraw/zinc/76/39/37/1365763937.db2.gz UASRQCCEAQQHDM-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185229 1365941379 /nfs/dbraw/zinc/94/13/79/1365941379.db2.gz AREMEMJVJAKSCZ-AHSYYPKJSA-N 2 0 349.563 3.290 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104288350 1365976378 /nfs/dbraw/zinc/97/63/78/1365976378.db2.gz WKMHSUORVAXMIQ-YZBXUTEPSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291879 1365977832 /nfs/dbraw/zinc/97/78/32/1365977832.db2.gz YHZMOVCCOXXZCK-VAMGGRTRSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388127 1365998539 /nfs/dbraw/zinc/99/85/39/1365998539.db2.gz HNXDHFGPBPFWPK-SJLPKXTDSA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599843 1366096132 /nfs/dbraw/zinc/09/61/32/1366096132.db2.gz IAKBXBTTWPYERC-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185751348 1387790175 /nfs/dbraw/zinc/79/01/75/1387790175.db2.gz PFPCKHCTQUWBKX-ROUUACIJSA-N 2 0 345.531 3.092 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104925022 1366226115 /nfs/dbraw/zinc/22/61/15/1366226115.db2.gz XTZRYEPZTYDAED-PWBPZBFBSA-N 2 0 337.552 3.149 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394308 1366443449 /nfs/dbraw/zinc/44/34/49/1366443449.db2.gz TWYANZAURLADIS-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574660 1366539578 /nfs/dbraw/zinc/53/95/78/1366539578.db2.gz DIYDAKQKNRTYME-SFHVURJKSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106119512 1366612772 /nfs/dbraw/zinc/61/27/72/1366612772.db2.gz CFDBRYDAVSOUGB-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106482280 1366708444 /nfs/dbraw/zinc/70/84/44/1366708444.db2.gz GJAPOGAIBFYRJX-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588197 1366746097 /nfs/dbraw/zinc/74/60/97/1366746097.db2.gz KUGKXIQAANMHGX-CRAIPNDOSA-N 2 0 349.519 3.075 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001106599219 1366750872 /nfs/dbraw/zinc/75/08/72/1366750872.db2.gz DMJYSGASZXJZNI-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106665374 1366768623 /nfs/dbraw/zinc/76/86/23/1366768623.db2.gz UMBJRAVLAYWCFT-QWFCFKBJSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107028874 1366860753 /nfs/dbraw/zinc/86/07/53/1366860753.db2.gz HANCQGRZGNKNBO-YLJYHZDGSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107443123 1366965046 /nfs/dbraw/zinc/96/50/46/1366965046.db2.gz ZUYVVNGNTZILGT-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2)[NH+](C)C ZINC001107451647 1366968510 /nfs/dbraw/zinc/96/85/10/1366968510.db2.gz ZXCRGSQXLPXQQC-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001107454314 1366969134 /nfs/dbraw/zinc/96/91/34/1366969134.db2.gz BLEYTCMJJOPDGS-YLJYHZDGSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546923 1367037062 /nfs/dbraw/zinc/03/70/62/1367037062.db2.gz TZQUHLRXICSRBV-BAPOODPFSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615426 1367074882 /nfs/dbraw/zinc/07/48/82/1367074882.db2.gz AGPSDLNOKKJCCF-UYAOXDASSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001109371390 1367091839 /nfs/dbraw/zinc/09/18/39/1367091839.db2.gz BGFZIEBSKOJVBL-FTVQKVBOSA-N 2 0 347.547 3.329 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)CCC1 ZINC001109403639 1367106156 /nfs/dbraw/zinc/10/61/56/1367106156.db2.gz QOPLOIGPVAQMFB-QYZOEREBSA-N 2 0 347.547 3.163 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189771684 1367106366 /nfs/dbraw/zinc/10/63/66/1367106366.db2.gz RQSGFLATTPJOGZ-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CCC1 ZINC001109403447 1367106449 /nfs/dbraw/zinc/10/64/49/1367106449.db2.gz HLXDSRGZDBQRDL-IKGGRYGDSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190444064 1367267089 /nfs/dbraw/zinc/26/70/89/1367267089.db2.gz NVOLDUJSBVBCEZ-MRXNPFEDSA-N 2 0 337.533 3.002 20 0 EGADRP CC[N@H+](CCNc1cc[nH+]cc1C(F)(F)F)CCC(F)(F)F ZINC001186089511 1387866286 /nfs/dbraw/zinc/86/62/86/1387866286.db2.gz SSEGWPNVUFCFCZ-UHFFFAOYSA-N 2 0 329.288 3.209 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001190653110 1367317783 /nfs/dbraw/zinc/31/77/83/1367317783.db2.gz BYWFUCGJOAKIJP-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC1 ZINC001109879936 1367378663 /nfs/dbraw/zinc/37/86/63/1367378663.db2.gz SNZFXSNAZTWBJN-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP CCc1ccccc1C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191018534 1367402916 /nfs/dbraw/zinc/40/29/16/1367402916.db2.gz AVAKKPMQEDFCPK-IBGZPJMESA-N 2 0 345.531 3.012 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507044 1367517176 /nfs/dbraw/zinc/51/71/76/1367517176.db2.gz GVFINDSZGZDFMH-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543783 1367525160 /nfs/dbraw/zinc/52/51/60/1367525160.db2.gz SKOPKXHGOGHLPB-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544076 1367525199 /nfs/dbraw/zinc/52/51/99/1367525199.db2.gz YBPUIUHXLFUQGE-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108687893 1367533016 /nfs/dbraw/zinc/53/30/16/1367533016.db2.gz JRYOHGMKISPPSC-OTWHNJEPSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108688336 1367533655 /nfs/dbraw/zinc/53/36/55/1367533655.db2.gz YQYBOWATZKEEME-BZSNNMDCSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719093 1367555478 /nfs/dbraw/zinc/55/54/78/1367555478.db2.gz HNIBEQJVCIUKKC-OTWHNJEPSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108733021 1367564552 /nfs/dbraw/zinc/56/45/52/1367564552.db2.gz DJBWGKZQODDLER-FHWLQOOXSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764833 1367580800 /nfs/dbraw/zinc/58/08/00/1367580800.db2.gz YATLUTMOMNFADF-KSZLIROESA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108771657 1367586791 /nfs/dbraw/zinc/58/67/91/1367586791.db2.gz DPJPXQCDDHUSCQ-UFYCRDLUSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001108776296 1367590233 /nfs/dbraw/zinc/59/02/33/1367590233.db2.gz VYIYYQHKGBOFIS-SXLOBPIMSA-N 2 0 343.515 3.131 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108831462 1367624541 /nfs/dbraw/zinc/62/45/41/1367624541.db2.gz GDUPYYYXXQCUPO-QHWWWDCYSA-N 2 0 335.536 3.042 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191921351 1367639102 /nfs/dbraw/zinc/63/91/02/1367639102.db2.gz ARNPMZAVWUEVQU-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566113 1367836856 /nfs/dbraw/zinc/83/68/56/1367836856.db2.gz ZJGBFPNDEXLWPN-GJGSYKPXSA-N 2 0 347.547 3.329 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671464 1367846453 /nfs/dbraw/zinc/84/64/53/1367846453.db2.gz KXPNVYBOZBLFCY-KAGICYHLSA-N 2 0 335.536 3.138 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680407 1367848758 /nfs/dbraw/zinc/84/87/58/1367848758.db2.gz QCJPVNNLFIKLFX-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917710 1367904047 /nfs/dbraw/zinc/90/40/47/1367904047.db2.gz RCRKTOIDBKHPEN-RBUKOAKNSA-N 2 0 339.568 3.322 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)C1CC1 ZINC001110666919 1367906535 /nfs/dbraw/zinc/90/65/35/1367906535.db2.gz YMRNQJPNBNFURG-ZRNYENFQSA-N 2 0 347.547 3.019 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110736546 1367954508 /nfs/dbraw/zinc/95/45/08/1367954508.db2.gz BWHLEMNYADIAKG-DALDDJKVSA-N 2 0 335.536 3.185 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001193389698 1368017576 /nfs/dbraw/zinc/01/75/76/1368017576.db2.gz GMNYMBQVEWJAJN-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001193424471 1368027071 /nfs/dbraw/zinc/02/70/71/1368027071.db2.gz MNCFJFGGEGUTRV-QZTJIDSGSA-N 2 0 343.531 3.169 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC001193600966 1368070838 /nfs/dbraw/zinc/07/08/38/1368070838.db2.gz PJCZXTGBCSYSJZ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980148 1368132737 /nfs/dbraw/zinc/13/27/37/1368132737.db2.gz ROURECCIBWJGPQ-PILAGYSTSA-N 2 0 349.906 3.074 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097172 1368157701 /nfs/dbraw/zinc/15/77/01/1368157701.db2.gz NUHSNZQGSKPUIW-MANSERQUSA-N 2 0 335.536 3.163 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1C ZINC001111169456 1368179512 /nfs/dbraw/zinc/17/95/12/1368179512.db2.gz UVRHCWAGFYJMLZ-LFGUQSLTSA-N 2 0 343.515 3.119 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001194265404 1368219149 /nfs/dbraw/zinc/21/91/49/1368219149.db2.gz CVFANMPDTFVGEE-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275721 1368222705 /nfs/dbraw/zinc/22/27/05/1368222705.db2.gz XMJAKSMETXHZGS-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186356360 1387928344 /nfs/dbraw/zinc/92/83/44/1387928344.db2.gz TVASPWOFOBGORX-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429883 1368259279 /nfs/dbraw/zinc/25/92/79/1368259279.db2.gz OSHIJEUCZSOUFY-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC(C)C ZINC001111307200 1368262013 /nfs/dbraw/zinc/26/20/13/1368262013.db2.gz BTDDESISKHJWNP-MANSERQUSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416528 1368303561 /nfs/dbraw/zinc/30/35/61/1368303561.db2.gz PNCXKFJTHGAVLQ-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466368 1368311217 /nfs/dbraw/zinc/31/12/17/1368311217.db2.gz SODAOIOUDSKFMJ-CUDHKJQZSA-N 2 0 343.515 3.118 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001186420737 1387939309 /nfs/dbraw/zinc/93/93/09/1387939309.db2.gz ROQYAJQUPHVQEL-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111817789 1368480305 /nfs/dbraw/zinc/48/03/05/1368480305.db2.gz CCCQEZWZLYPPCE-RXVVDRJESA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195845790 1368501722 /nfs/dbraw/zinc/50/17/22/1368501722.db2.gz NOVBDJPPUQALNL-WAYWQWQTSA-N 2 0 335.536 3.142 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858289 1368509270 /nfs/dbraw/zinc/50/92/70/1368509270.db2.gz XSEIIBZCUXRXHF-AQIYZVDXSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870590 1368517998 /nfs/dbraw/zinc/51/79/98/1368517998.db2.gz FKWNEXMHIHNJSH-DGICPSGQSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163467 1368559542 /nfs/dbraw/zinc/55/95/42/1368559542.db2.gz OTBDRRBEPBZWSC-SFFCAUCYSA-N 2 0 335.536 3.140 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCN([C@@H](C)c2cccc(F)c2)CC1 ZINC001196340124 1368592677 /nfs/dbraw/zinc/59/26/77/1368592677.db2.gz FAUVHIQAZBPREC-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001186489202 1387954698 /nfs/dbraw/zinc/95/46/98/1387954698.db2.gz XOUGHOZKHNPKRN-YLJYHZDGSA-N 2 0 345.531 3.403 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001196889409 1368707293 /nfs/dbraw/zinc/70/72/93/1368707293.db2.gz CVNAAZZFKAOBQK-LJQANCHMSA-N 2 0 337.552 3.223 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](CC2CCCC2)CC1)C(C)C ZINC001197478563 1368823048 /nfs/dbraw/zinc/82/30/48/1368823048.db2.gz YIBGCUHNSILSNU-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](CCCCCF)CC1)C(C)C ZINC001197484153 1368824386 /nfs/dbraw/zinc/82/43/86/1368824386.db2.gz BIDXHYMNAHXKQB-SFHVURJKSA-N 2 0 343.531 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001197706410 1368877817 /nfs/dbraw/zinc/87/78/17/1368877817.db2.gz HQRAHECGVSNSCJ-UHFFFAOYSA-N 2 0 345.531 3.186 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001197794920 1368898962 /nfs/dbraw/zinc/89/89/62/1368898962.db2.gz POESVFFDLLHWLN-LJQANCHMSA-N 2 0 339.568 3.469 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506694 1368906209 /nfs/dbraw/zinc/90/62/09/1368906209.db2.gz AEAVVIWMXBCEKU-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](c1ccccc1F)N1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879634 1368917947 /nfs/dbraw/zinc/91/79/47/1368917947.db2.gz KQBIQFQKWIBUFT-QGZVFWFLSA-N 2 0 349.494 3.153 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001197898887 1368921656 /nfs/dbraw/zinc/92/16/56/1368921656.db2.gz HITUUPRKXGEEFW-HXUWFJFHSA-N 2 0 345.531 3.404 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325437822 1387972059 /nfs/dbraw/zinc/97/20/59/1387972059.db2.gz LYDMRNFCFFTOGF-FUHWJXTLSA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198242950 1368987898 /nfs/dbraw/zinc/98/78/98/1368987898.db2.gz BGHIYEBEDDXTBO-PLNGDYQASA-N 2 0 335.536 3.143 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001198259871 1368991581 /nfs/dbraw/zinc/99/15/81/1368991581.db2.gz SHLKCLBGFMQVCG-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001186598060 1387981854 /nfs/dbraw/zinc/98/18/54/1387981854.db2.gz NVUUAXQJFIWDLR-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186605559 1387983958 /nfs/dbraw/zinc/98/39/58/1387983958.db2.gz PRXTXSHICAGWEI-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605937 1387984861 /nfs/dbraw/zinc/98/48/61/1387984861.db2.gz WMACOWWLXLRHPA-LJQANCHMSA-N 2 0 349.563 3.245 20 0 EGADRP CC/C=C/CC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156405 1369233555 /nfs/dbraw/zinc/23/35/55/1369233555.db2.gz CWNSVZABXWZUMQ-SNAWJCMRSA-N 2 0 335.536 3.142 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001200232121 1369332180 /nfs/dbraw/zinc/33/21/80/1369332180.db2.gz GZPCPPQENULLHZ-UHFFFAOYSA-N 2 0 326.444 3.090 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200578262 1369393972 /nfs/dbraw/zinc/39/39/72/1369393972.db2.gz QCJUIQIYKJRFHI-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113402927 1369400796 /nfs/dbraw/zinc/40/07/96/1369400796.db2.gz LLCZCJGFGLNYQC-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001113432091 1369423293 /nfs/dbraw/zinc/42/32/93/1369423293.db2.gz KCWSYUFMVBTJDU-GOSISDBHSA-N 2 0 345.531 3.188 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113439626 1369430080 /nfs/dbraw/zinc/43/00/80/1369430080.db2.gz LQEZHJHHTTZYMG-UHFFFAOYSA-N 2 0 339.568 3.469 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001113536492 1369482963 /nfs/dbraw/zinc/48/29/63/1369482963.db2.gz SGTZRDRHSKHIBD-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001201183043 1369491611 /nfs/dbraw/zinc/49/16/11/1369491611.db2.gz RXRLNFRJUQWQPU-FUHWJXTLSA-N 2 0 334.508 3.097 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001201230442 1369500146 /nfs/dbraw/zinc/50/01/46/1369500146.db2.gz RHZGZZXIYSKGRI-PSCPARJHSA-N 2 0 347.547 3.330 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201399946 1369537141 /nfs/dbraw/zinc/53/71/41/1369537141.db2.gz LPBFWEVVUFPLGO-SFFCAUCYSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113642900 1369540309 /nfs/dbraw/zinc/54/03/09/1369540309.db2.gz PBKKGARWTUKGQZ-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP COc1cccc(CN2CCOC3(CC[NH+](CC(C)C)CC3)C2)c1 ZINC001201470655 1369551512 /nfs/dbraw/zinc/55/15/12/1369551512.db2.gz KMIHFVSYHKOQAY-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)n(-c2ccccc2)n1 ZINC001201647532 1369596282 /nfs/dbraw/zinc/59/62/82/1369596282.db2.gz FFVBZXJRNALWCR-UHFFFAOYSA-N 2 0 348.454 3.071 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(Cl)cc(Cl)n3)cc[nH+]2)CC1 ZINC001201651438 1369597244 /nfs/dbraw/zinc/59/72/44/1369597244.db2.gz UUTDPSHWVKDLPW-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cnc4c(F)cccc4c3)cc[nH+]2)CC1 ZINC001201658229 1369598264 /nfs/dbraw/zinc/59/82/64/1369598264.db2.gz UXYQVLVTEGHGGJ-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP COc1cccc2ncc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)cc21 ZINC001201658341 1369598594 /nfs/dbraw/zinc/59/85/94/1369598594.db2.gz YYOKEKNOEVIZLX-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(-n4cccc4)cc3)cc[nH+]2)CC1 ZINC001201659447 1369599395 /nfs/dbraw/zinc/59/93/95/1369599395.db2.gz YIODYAQTKOAEHK-UHFFFAOYSA-N 2 0 333.439 3.368 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc(-c4cnco4)c3)cc[nH+]2)CC1 ZINC001201665854 1369600430 /nfs/dbraw/zinc/60/04/30/1369600430.db2.gz JRJXGUYVIAXBOI-UHFFFAOYSA-N 2 0 335.411 3.232 20 0 EGADRP CCCOc1ccccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667122 1369601239 /nfs/dbraw/zinc/60/12/39/1369601239.db2.gz BIIYOZBFJWKXIS-UHFFFAOYSA-N 2 0 326.444 3.366 20 0 EGADRP Cc1ccnc2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)ccc12 ZINC001201666914 1369601936 /nfs/dbraw/zinc/60/19/36/1369601936.db2.gz IBIZFGPEJUDCKE-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP COc1ccc2ccc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)cc2n1 ZINC001201671380 1369602460 /nfs/dbraw/zinc/60/24/60/1369602460.db2.gz BAIHSMDJQPJJDG-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201801743 1369626503 /nfs/dbraw/zinc/62/65/03/1369626503.db2.gz OMKVDMTWKJNXDZ-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP FC(F)(F)CC[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001202329452 1369740313 /nfs/dbraw/zinc/74/03/13/1369740313.db2.gz SNPBJAIZHBHLRL-UHFFFAOYSA-N 2 0 327.394 3.322 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001202510257 1369794545 /nfs/dbraw/zinc/79/45/45/1369794545.db2.gz JPBVWJPRVZFWDL-UHFFFAOYSA-N 2 0 345.531 3.175 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC001202638740 1369834208 /nfs/dbraw/zinc/83/42/08/1369834208.db2.gz YELAPULMIQUPBR-SFTDATJTSA-N 2 0 328.500 3.175 20 0 EGADRP CC(C)c1nccn1CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001202707655 1369859538 /nfs/dbraw/zinc/85/95/38/1369859538.db2.gz GFJVWGJDQNTGQN-UHFFFAOYSA-N 2 0 348.535 3.413 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001202707665 1369859947 /nfs/dbraw/zinc/85/99/47/1369859947.db2.gz GMKBLWWWWNZGRB-VOTSOKGWSA-N 2 0 346.519 3.334 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001203081029 1369975983 /nfs/dbraw/zinc/97/59/83/1369975983.db2.gz XOKFFRCIXCFZSE-MSOLQXFVSA-N 2 0 347.547 3.070 20 0 EGADRP CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203102630 1369983979 /nfs/dbraw/zinc/98/39/79/1369983979.db2.gz ICUZTQJGWGHZRL-DLBZAZTESA-N 2 0 335.536 3.066 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203104034 1369984592 /nfs/dbraw/zinc/98/45/92/1369984592.db2.gz PRSWGJQUPQNMGM-QZTJIDSGSA-N 2 0 349.563 3.457 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115973 1369988209 /nfs/dbraw/zinc/98/82/09/1369988209.db2.gz WJMJONTURGQOAY-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001187018276 1388041961 /nfs/dbraw/zinc/04/19/61/1388041961.db2.gz KNDKQZNXUBWRGM-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1)c1ccccc1 ZINC001203313514 1370078728 /nfs/dbraw/zinc/07/87/28/1370078728.db2.gz SCZDKYFXOZADCN-APWZRJJASA-N 2 0 349.494 3.008 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203333523 1370086606 /nfs/dbraw/zinc/08/66/06/1370086606.db2.gz UMOXTLAAAKYXJS-CQQBRXBZSA-N 2 0 347.547 3.092 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001203442367 1370128733 /nfs/dbraw/zinc/12/87/33/1370128733.db2.gz JMXZXBIXISEQGE-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461774 1370134721 /nfs/dbraw/zinc/13/47/21/1370134721.db2.gz ILCIWDVCUDOJAY-RBUKOAKNSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001114988922 1370194310 /nfs/dbraw/zinc/19/43/10/1370194310.db2.gz NCCDZRDCNREISL-RKMUZANASA-N 2 0 349.563 3.146 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203633067 1370194409 /nfs/dbraw/zinc/19/44/09/1370194409.db2.gz WFIZXWWOQPXKBR-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203771761 1370258813 /nfs/dbraw/zinc/25/88/13/1370258813.db2.gz OJHRDBUNIOKHOT-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203877559 1370297192 /nfs/dbraw/zinc/29/71/92/1370297192.db2.gz XMVKQWDIKQQVOX-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(C)c3)CC2)C1 ZINC001203891542 1370301243 /nfs/dbraw/zinc/30/12/43/1370301243.db2.gz UOLKQHSPAMMQHE-IBGZPJMESA-N 2 0 344.499 3.235 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203903850 1370308931 /nfs/dbraw/zinc/30/89/31/1370308931.db2.gz PMKWAJKQYBCDIA-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP Fc1cc(F)cc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001204230801 1370416608 /nfs/dbraw/zinc/41/66/08/1370416608.db2.gz YJUOYWBSCLDUSZ-MSOLQXFVSA-N 2 0 343.421 3.314 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC001204267001 1370427075 /nfs/dbraw/zinc/42/70/75/1370427075.db2.gz CJDMADMBYSRBLV-IBGZPJMESA-N 2 0 339.483 3.402 20 0 EGADRP C[NH+](C)Cc1ccc(-c2cccc(OCC[NH+]3CCCC3)n2)cc1 ZINC001204621348 1370531451 /nfs/dbraw/zinc/53/14/51/1370531451.db2.gz WQBMJFJQIHMJGN-UHFFFAOYSA-N 2 0 325.456 3.285 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537134 1370534359 /nfs/dbraw/zinc/53/43/59/1370534359.db2.gz XWMPEQSNQGMHCD-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n21 ZINC001204748998 1370564561 /nfs/dbraw/zinc/56/45/61/1370564561.db2.gz WAEOQTJFAOAUIP-UHFFFAOYSA-N 2 0 344.528 3.412 20 0 EGADRP Fc1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c(F)c1Cl ZINC001204763756 1370570988 /nfs/dbraw/zinc/57/09/88/1370570988.db2.gz QEELPHYHWHLRRP-CYBMUJFWSA-N 2 0 343.849 3.130 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001115571722 1370574026 /nfs/dbraw/zinc/57/40/26/1370574026.db2.gz MAXJRAYSDJUMRK-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591725 1370592414 /nfs/dbraw/zinc/59/24/14/1370592414.db2.gz BLEWAPZCUJXMSJ-QZTJIDSGSA-N 2 0 335.536 3.212 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115592158 1370593027 /nfs/dbraw/zinc/59/30/27/1370593027.db2.gz WPDHYXHFHHLWJT-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1)[NH+](C)C ZINC001115592164 1370593249 /nfs/dbraw/zinc/59/32/49/1370593249.db2.gz WXNHMKODARWXPT-GOSISDBHSA-N 2 0 349.494 3.075 20 0 EGADRP C[N@H+](CCC(=O)NCC1([NH2+]CC2CC2)CCCCC1)C1CCCCC1 ZINC001115648470 1370636948 /nfs/dbraw/zinc/63/69/48/1370636948.db2.gz RWHHUMHBBXXWQY-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001205053456 1370638626 /nfs/dbraw/zinc/63/86/26/1370638626.db2.gz NHTJOCXGKDCHKX-UHFFFAOYSA-N 2 0 349.219 3.221 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2([NH2+]CCC3CC3)CCCCC2)CCCC1 ZINC001115650487 1370638977 /nfs/dbraw/zinc/63/89/77/1370638977.db2.gz ZKCRTZUEHBBUBL-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2occc2C[NH+](C)C)CCCCC1 ZINC001115696297 1370677476 /nfs/dbraw/zinc/67/74/76/1370677476.db2.gz OIGRFGBDSISJMK-MRXNPFEDSA-N 2 0 349.519 3.410 20 0 EGADRP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205219271 1370684863 /nfs/dbraw/zinc/68/48/63/1370684863.db2.gz BNQPFGPFJTUKIK-FQEVSTJZSA-N 2 0 329.488 3.141 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)s2)cc1 ZINC001205219707 1370685001 /nfs/dbraw/zinc/68/50/01/1370685001.db2.gz FTTUDXZOMMUDBO-IBGZPJMESA-N 2 0 346.496 3.099 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC001205247414 1370694738 /nfs/dbraw/zinc/69/47/38/1370694738.db2.gz HEVXPSCVJROKOQ-FQEVSTJZSA-N 2 0 346.421 3.308 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccccc2-c2ccc(F)cc2F)CC1 ZINC001205249318 1370695431 /nfs/dbraw/zinc/69/54/31/1370695431.db2.gz VVLPKZIHNNSIHS-HXUWFJFHSA-N 2 0 346.421 3.308 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205285442 1370706617 /nfs/dbraw/zinc/70/66/17/1370706617.db2.gz WOOLWMHOSIRRPP-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115729443 1370710692 /nfs/dbraw/zinc/71/06/92/1370710692.db2.gz GBIANHVTRQGBJM-INIZCTEOSA-N 2 0 349.544 3.141 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730978 1370713820 /nfs/dbraw/zinc/71/38/20/1370713820.db2.gz WPOIEWYMSPSWAJ-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP [NH3+]CCCC[NH+]1CCC(Oc2ccccc2OC(F)(F)F)CC1 ZINC001205339006 1370726239 /nfs/dbraw/zinc/72/62/39/1370726239.db2.gz CFXGJYDKLVOGJY-UHFFFAOYSA-N 2 0 332.366 3.167 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CCC2CC2)CCCCC1)[NH+]1CCCCCC1 ZINC001115759386 1370742504 /nfs/dbraw/zinc/74/25/04/1370742504.db2.gz BJABCEKXVXVZJE-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001205420449 1370749333 /nfs/dbraw/zinc/74/93/33/1370749333.db2.gz UVYZMDMJFKQQMI-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001115769143 1370753626 /nfs/dbraw/zinc/75/36/26/1370753626.db2.gz XRWKTIUSJIVIJW-OALUTQOASA-N 2 0 347.547 3.212 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115777417 1370760938 /nfs/dbraw/zinc/76/09/38/1370760938.db2.gz YTHSSAXTQOGPOQ-HJWRWDBZSA-N 2 0 337.552 3.483 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462183 1370763159 /nfs/dbraw/zinc/76/31/59/1370763159.db2.gz UURURBZLEYTSDQ-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462181 1370763647 /nfs/dbraw/zinc/76/36/47/1370763647.db2.gz UURURBZLEYTSDQ-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205483929 1370769081 /nfs/dbraw/zinc/76/90/81/1370769081.db2.gz YLYJBQCZVAFRCP-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCn1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cn1 ZINC001205528802 1370782853 /nfs/dbraw/zinc/78/28/53/1370782853.db2.gz RLSOGGZLPGTQQM-UHFFFAOYSA-N 2 0 344.528 3.453 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](CCc2ccccc2Br)CC1 ZINC001205537156 1370783912 /nfs/dbraw/zinc/78/39/12/1370783912.db2.gz DKKKBIMMFLFQEP-HNNXBMFYSA-N 2 0 329.257 3.145 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](CCc2cccc(Br)c2)CC1 ZINC001205537543 1370784441 /nfs/dbraw/zinc/78/44/41/1370784441.db2.gz IBWCDYOCWOGYJQ-OAHLLOKOSA-N 2 0 329.257 3.145 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205545487 1370787024 /nfs/dbraw/zinc/78/70/24/1370787024.db2.gz IAEQDVOBKBIDBL-PMACEKPBSA-N 2 0 333.495 3.194 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205586168 1370800776 /nfs/dbraw/zinc/80/07/76/1370800776.db2.gz OUWADQAQCKFMBL-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1O ZINC001205591255 1370802596 /nfs/dbraw/zinc/80/25/96/1370802596.db2.gz IPWVRMQQIZTUJW-OAHLLOKOSA-N 2 0 345.256 3.116 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205591132 1370802761 /nfs/dbraw/zinc/80/27/61/1370802761.db2.gz FFLQGLRQFHNCSL-FQEVSTJZSA-N 2 0 343.446 3.410 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)c1OC ZINC001205618687 1370813212 /nfs/dbraw/zinc/81/32/12/1370813212.db2.gz YEJQJQVQJZMNMS-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205638852 1370822970 /nfs/dbraw/zinc/82/29/70/1370822970.db2.gz SPBIGHZZZWHNII-GXTWGEPZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccnc2OCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205654460 1370829785 /nfs/dbraw/zinc/82/97/85/1370829785.db2.gz WXKFSVBDIXUZSK-PKOBYXMFSA-N 2 0 339.483 3.467 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)cc1C ZINC001205677865 1370839556 /nfs/dbraw/zinc/83/95/56/1370839556.db2.gz IWTKBGQYPVTTPO-LJQANCHMSA-N 2 0 337.939 3.496 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001205726551 1370853030 /nfs/dbraw/zinc/85/30/30/1370853030.db2.gz USXMYNQXPUNOFF-HXUWFJFHSA-N 2 0 346.421 3.308 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCc2cccc(Br)c2)CCC1(F)F ZINC001205734259 1370854580 /nfs/dbraw/zinc/85/45/80/1370854580.db2.gz CWAWFZNSTHVNTQ-CYBMUJFWSA-N 2 0 347.247 3.298 20 0 EGADRP Cc1ccccc1C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001205740595 1370856599 /nfs/dbraw/zinc/85/65/99/1370856599.db2.gz JRZQQSIAIJJEEU-UHFFFAOYSA-N 2 0 337.511 3.245 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001205758832 1370861643 /nfs/dbraw/zinc/86/16/43/1370861643.db2.gz FHCPULZLXSLMGJ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCc1ccccc1Br ZINC001205901200 1370905434 /nfs/dbraw/zinc/90/54/34/1370905434.db2.gz BSSPAQMRRNGXAP-DZGCQCFKSA-N 2 0 325.294 3.441 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001116449764 1370915304 /nfs/dbraw/zinc/91/53/04/1370915304.db2.gz STGXWKVDMYBMEB-SJORKVTESA-N 2 0 348.560 3.358 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001205982557 1370928886 /nfs/dbraw/zinc/92/88/86/1370928886.db2.gz MHTRJWNWDFGGBP-NQIIRXRSSA-N 3 0 329.532 3.205 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001205982559 1370929467 /nfs/dbraw/zinc/92/94/67/1370929467.db2.gz MHTRJWNWDFGGBP-WIYYLYMNSA-N 3 0 329.532 3.205 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(OCc3ccccc3)no2)CCC[C@@H]1C[NH3+] ZINC001206012097 1370938471 /nfs/dbraw/zinc/93/84/71/1370938471.db2.gz ITYYOPVQWASEIV-DOTOQJQBSA-N 2 0 329.444 3.060 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC(=O)C(C)C ZINC001206015004 1370939000 /nfs/dbraw/zinc/93/90/00/1370939000.db2.gz ZGMHUXVIERDYBM-DOTOQJQBSA-N 2 0 348.487 3.063 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001206026292 1370942472 /nfs/dbraw/zinc/94/24/72/1370942472.db2.gz RHVWLWOMNXTATO-HZPDHXFCSA-N 2 0 331.504 3.478 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CCC[C@@H]1C[NH3+] ZINC001206028768 1370942925 /nfs/dbraw/zinc/94/29/25/1370942925.db2.gz ZALPYBZBGZCQIA-CHWSQXEVSA-N 2 0 334.414 3.162 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001206030583 1370943626 /nfs/dbraw/zinc/94/36/26/1370943626.db2.gz CEIMUAXDRKTHDS-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1nc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093037 1370958826 /nfs/dbraw/zinc/95/88/26/1370958826.db2.gz KECUWWINHCVSEU-OALUTQOASA-N 2 0 325.456 3.327 20 0 EGADRP Cc1cc(N2CCN(CC[C@H]3CCCC[NH2+]3)CC2)c2ccccc2[nH+]1 ZINC001206285916 1371012688 /nfs/dbraw/zinc/01/26/88/1371012688.db2.gz PJVDHVHISBDDRC-GOSISDBHSA-N 2 0 338.499 3.197 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1)[NH+](C)C ZINC001206301020 1371015281 /nfs/dbraw/zinc/01/52/81/1371015281.db2.gz IPHRHSFIWMPTOI-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+]C[C@]1(F)CCCCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206335254 1371026814 /nfs/dbraw/zinc/02/68/14/1371026814.db2.gz DDWQXCJLRDUOBX-VQTJNVASSA-N 2 0 333.495 3.052 20 0 EGADRP [NH3+]C[C@]1(F)CCCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001206335884 1371027088 /nfs/dbraw/zinc/02/70/88/1371027088.db2.gz HUTNLCQZJZKKGF-WOJBJXKFSA-N 2 0 333.495 3.194 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(OC)c1Cl ZINC001206337151 1371027125 /nfs/dbraw/zinc/02/71/25/1371027125.db2.gz QWAZRQKHTZXVGS-KRWDZBQOSA-N 2 0 326.868 3.308 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481381 1371067917 /nfs/dbraw/zinc/06/79/17/1371067917.db2.gz GUBALXZAESFHHY-RRFGBZISSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC001117749019 1371074256 /nfs/dbraw/zinc/07/42/56/1371074256.db2.gz ULOLRSAFPAFZNV-SJORKVTESA-N 2 0 345.487 3.416 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001206548143 1371090658 /nfs/dbraw/zinc/09/06/58/1371090658.db2.gz HOKIYAWLZPTCFM-IBGZPJMESA-N 2 0 326.444 3.220 20 0 EGADRP CC(C)[N@H+](Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCC[NH2+]CC1 ZINC001206589939 1371101993 /nfs/dbraw/zinc/10/19/93/1371101993.db2.gz IZUXMCDQVXYPGS-HNNXBMFYSA-N 2 0 345.409 3.375 20 0 EGADRP CCOC(=O)Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206598740 1371105655 /nfs/dbraw/zinc/10/56/55/1371105655.db2.gz LYVDHCDWJUOJPV-LJQANCHMSA-N 2 0 332.488 3.145 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](CCCc2ccccc2Br)C1 ZINC001206606597 1371107880 /nfs/dbraw/zinc/10/78/80/1371107880.db2.gz QVVLRRAHQLTELG-AWEZNQCLSA-N 2 0 325.294 3.443 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628862 1371113435 /nfs/dbraw/zinc/11/34/35/1371113435.db2.gz XKHDZCUSGXLDAG-IEBWSBKVSA-N 2 0 339.568 3.227 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628868 1371113697 /nfs/dbraw/zinc/11/36/97/1371113697.db2.gz XKHDZCUSGXLDAG-MJGOQNOKSA-N 2 0 339.568 3.227 20 0 EGADRP COc1cc(F)ccc1-c1cncc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206649144 1371119891 /nfs/dbraw/zinc/11/98/91/1371119891.db2.gz RLDNVBODJMZANL-HNNXBMFYSA-N 2 0 343.446 3.457 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC001206721033 1371144563 /nfs/dbraw/zinc/14/45/63/1371144563.db2.gz RLVCORAWSDGKFS-WOJBJXKFSA-N 2 0 343.515 3.049 20 0 EGADRP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCc1ccccc1Br ZINC001206760899 1371155958 /nfs/dbraw/zinc/15/59/58/1371155958.db2.gz NKDDDONWNSKKAE-ZIAGYGMSSA-N 2 0 325.294 3.441 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206808839 1371176341 /nfs/dbraw/zinc/17/63/41/1371176341.db2.gz KRGTXLKTQCWIOK-HUUCEWRRSA-N 2 0 328.456 3.416 20 0 EGADRP CC1CC(C[NH2+]CC2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001206935475 1371232449 /nfs/dbraw/zinc/23/24/49/1371232449.db2.gz CHPVCQLZGHABJC-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947758 1371240901 /nfs/dbraw/zinc/24/09/01/1371240901.db2.gz INLMHTAEFAEGBL-SPCWZHTESA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001206954737 1371244302 /nfs/dbraw/zinc/24/43/02/1371244302.db2.gz UZXZJKIIZCTCIQ-INIZCTEOSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1nccc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)n1 ZINC001207164122 1371317007 /nfs/dbraw/zinc/31/70/07/1371317007.db2.gz PGZQLYLPNFFSKL-LJQANCHMSA-N 2 0 340.471 3.255 20 0 EGADRP COC(=O)[C@@H]1C[C@@H](C)C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290681 1371352755 /nfs/dbraw/zinc/35/27/55/1371352755.db2.gz AQZOIQNPJCBCCR-YLJYHZDGSA-N 2 0 344.499 3.030 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)CC2)cc1 ZINC001207292172 1371353033 /nfs/dbraw/zinc/35/30/33/1371353033.db2.gz MHXASSBRAPMXKO-UJOPUZHASA-N 2 0 326.484 3.008 20 0 EGADRP Cc1nc([C@H]2C[C@@H]3CC[N@@H+](CC4CC[NH+](C)CC4)C[C@H]3O2)sc1C ZINC001207396704 1371384387 /nfs/dbraw/zinc/38/43/87/1371384387.db2.gz QWZATOMJFLLSID-RCCFBDPRSA-N 2 0 349.544 3.254 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC001119700958 1371390891 /nfs/dbraw/zinc/39/08/91/1371390891.db2.gz CHMBNASJGIRNAM-SJORKVTESA-N 2 0 347.503 3.116 20 0 EGADRP CN(C(=O)OC(C)(C)C)C1CCC([N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC001207440986 1371396419 /nfs/dbraw/zinc/39/64/19/1371396419.db2.gz NCFMCOGGVCYBTH-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP Clc1ccc(-c2cc3n(n2)CC[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207441861 1371396645 /nfs/dbraw/zinc/39/66/45/1371396645.db2.gz NNHQLNGKNBDLBF-UHFFFAOYSA-N 2 0 330.863 3.019 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207495193 1371413515 /nfs/dbraw/zinc/41/35/15/1371413515.db2.gz UMSXEVNEVAUORA-UHFFFAOYSA-N 2 0 349.538 3.498 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543041 1371431255 /nfs/dbraw/zinc/43/12/55/1371431255.db2.gz BWSSLCAQGAXWRE-QRQLOZEOSA-N 2 0 343.515 3.059 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C1)O[C@@H](C)C2 ZINC001119988562 1371443797 /nfs/dbraw/zinc/44/37/97/1371443797.db2.gz KGOGBIKVSLYSIM-BVYOLEPJSA-N 2 0 344.499 3.181 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001120005658 1371452196 /nfs/dbraw/zinc/45/21/96/1371452196.db2.gz UJKYZIDJTWOXOL-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001120010051 1371453572 /nfs/dbraw/zinc/45/35/72/1371453572.db2.gz KIGFLKVNTBVGSF-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130065 1371491779 /nfs/dbraw/zinc/49/17/79/1371491779.db2.gz UECUIBDTMIERNO-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120188735 1371502480 /nfs/dbraw/zinc/50/24/80/1371502480.db2.gz FJECGIDHGRASQT-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790771 1371504970 /nfs/dbraw/zinc/50/49/70/1371504970.db2.gz XZXBNIZNACTGOX-SJLPKXTDSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001120207891 1371505120 /nfs/dbraw/zinc/50/51/20/1371505120.db2.gz KQLVRYUFRITCAF-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001207858113 1371521503 /nfs/dbraw/zinc/52/15/03/1371521503.db2.gz DRWZCLBFQKCRIS-GOSISDBHSA-N 2 0 345.531 3.310 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccc(C)o1)C2 ZINC001207943171 1371544903 /nfs/dbraw/zinc/54/49/03/1371544903.db2.gz COGNWPMALKBEOX-FPOVZHCZSA-N 2 0 346.515 3.201 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401029 1371561977 /nfs/dbraw/zinc/56/19/77/1371561977.db2.gz GEGHVNYPRQTTFB-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001120403631 1371563117 /nfs/dbraw/zinc/56/31/17/1371563117.db2.gz ZWAHHAROTFNWIZ-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422006 1371569035 /nfs/dbraw/zinc/56/90/35/1371569035.db2.gz HSWRJEUTCFMWTJ-MNVMYWNISA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001120421768 1371569672 /nfs/dbraw/zinc/56/96/72/1371569672.db2.gz CXBPEMORNBGGJY-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423041 1371570761 /nfs/dbraw/zinc/57/07/61/1371570761.db2.gz RBPLNIQSYSSOPR-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120449727 1371581644 /nfs/dbraw/zinc/58/16/44/1371581644.db2.gz PKHLJRKBHIHARL-PMACEKPBSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120449445 1371581695 /nfs/dbraw/zinc/58/16/95/1371581695.db2.gz MGNUBZIPHHQIPE-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120467773 1371586917 /nfs/dbraw/zinc/58/69/17/1371586917.db2.gz BYXSRJSZDOSPCH-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001208110729 1371597693 /nfs/dbraw/zinc/59/76/93/1371597693.db2.gz FSDWURNUMHRACE-OALUTQOASA-N 2 0 344.499 3.345 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC(n3ncc4ccccc43)CC2)CC1 ZINC001208109822 1371598109 /nfs/dbraw/zinc/59/81/09/1371598109.db2.gz SDAVGADSHWAFDK-UHFFFAOYSA-N 2 0 326.488 3.405 20 0 EGADRP C[NH+](C)CCN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208128090 1371603705 /nfs/dbraw/zinc/60/37/05/1371603705.db2.gz UIVRBCYYFSRKNV-QFIPXVFZSA-N 2 0 337.511 3.325 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)CC(C)C ZINC001208160822 1371613466 /nfs/dbraw/zinc/61/34/66/1371613466.db2.gz ZQBLSYAOOWMNIS-KRWDZBQOSA-N 2 0 349.523 3.021 20 0 EGADRP C[NH+](C)CC1(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCC1 ZINC001208185410 1371625542 /nfs/dbraw/zinc/62/55/42/1371625542.db2.gz CZACVMXJLLOYBM-NHCUHLMSSA-N 2 0 341.543 3.315 20 0 EGADRP CC(C)c1noc([C@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208185630 1371627787 /nfs/dbraw/zinc/62/77/87/1371627787.db2.gz GWRSMXBXAXLUQU-INIZCTEOSA-N 2 0 334.508 3.494 20 0 EGADRP CC(C)c1noc([C@@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208185632 1371627987 /nfs/dbraw/zinc/62/79/87/1371627987.db2.gz GWRSMXBXAXLUQU-MRXNPFEDSA-N 2 0 334.508 3.494 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001208214214 1371656294 /nfs/dbraw/zinc/65/62/94/1371656294.db2.gz SBAZSHAMSXAYLO-INIZCTEOSA-N 2 0 330.472 3.154 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208335618 1371722826 /nfs/dbraw/zinc/72/28/26/1371722826.db2.gz WSENQUVJRUIPPZ-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001208410607 1371757662 /nfs/dbraw/zinc/75/76/62/1371757662.db2.gz BQSHYKVINPYYPQ-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411535 1371758840 /nfs/dbraw/zinc/75/88/40/1371758840.db2.gz WHWNDUBIAOEKAF-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+]1CCC(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001208596065 1371834437 /nfs/dbraw/zinc/83/44/37/1371834437.db2.gz ATGSOSWAUWJXGQ-FGZHOGPDSA-N 3 0 341.543 3.091 20 0 EGADRP CC[NH+]1CCC(C[N@H+](Cc2ccccc2)[C@H](C)CC(=O)OC)CC1 ZINC001208601614 1371835889 /nfs/dbraw/zinc/83/58/89/1371835889.db2.gz NVJJWDVKBUKJIK-QGZVFWFLSA-N 2 0 332.488 3.172 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208718067 1371872641 /nfs/dbraw/zinc/87/26/41/1371872641.db2.gz NQECGWIGMAICGB-HKUYNNGSSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121245003 1371906350 /nfs/dbraw/zinc/90/63/50/1371906350.db2.gz BAPFJLPHXBRPCX-RTIMYMIJSA-N 2 0 349.563 3.026 20 0 EGADRP CN1CCC[C@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824419 1371906471 /nfs/dbraw/zinc/90/64/71/1371906471.db2.gz HVTVNQKWLOIKAM-DOTOQJQBSA-N 2 0 337.305 3.408 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@H+](C)C2CCN(CC)CC2)cc1 ZINC001208870681 1371926891 /nfs/dbraw/zinc/92/68/91/1371926891.db2.gz YROXFFAKVJZLHS-UHFFFAOYSA-N 2 0 332.488 3.212 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208879042 1371929803 /nfs/dbraw/zinc/92/98/03/1371929803.db2.gz LGCBSOUXZYWUKP-HXUWFJFHSA-N 2 0 341.499 3.451 20 0 EGADRP CCC(=O)C(C)(C)C[NH+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001208914948 1371941408 /nfs/dbraw/zinc/94/14/08/1371941408.db2.gz BYWUTEUPRAFQDE-RTBURBONSA-N 2 0 328.500 3.364 20 0 EGADRP O[C@@]1(CF)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208930402 1371949330 /nfs/dbraw/zinc/94/93/30/1371949330.db2.gz AXYBNWGPMXCUDB-UXHICEINSA-N 2 0 334.479 3.085 20 0 EGADRP COC(=O)CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208948673 1371958699 /nfs/dbraw/zinc/95/86/99/1371958699.db2.gz HQZXTTINDHMQBQ-IBGZPJMESA-N 2 0 344.499 3.316 20 0 EGADRP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947392 1371958876 /nfs/dbraw/zinc/95/88/76/1371958876.db2.gz BHSDDEZUVXHMTM-RTBURBONSA-N 2 0 344.499 3.172 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208948221 1371959650 /nfs/dbraw/zinc/95/96/50/1371959650.db2.gz FRNMWZHTXYZJES-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP CCOC(=O)[C@]1(C)CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954663 1371961962 /nfs/dbraw/zinc/96/19/62/1371961962.db2.gz WYWWUKBQWNBNOF-TZIWHRDSSA-N 2 0 344.499 3.174 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001209316299 1372066943 /nfs/dbraw/zinc/06/69/43/1372066943.db2.gz ZUJWTMLYWBEZCW-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001209316300 1372067083 /nfs/dbraw/zinc/06/70/83/1372067083.db2.gz ZUJWTMLYWBEZCW-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001209324688 1372069556 /nfs/dbraw/zinc/06/95/56/1372069556.db2.gz SWJFXOQPFHQQCN-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC001121849077 1372101202 /nfs/dbraw/zinc/10/12/02/1372101202.db2.gz VJXBVFFEBKIDBK-FUSSNKQKSA-N 2 0 346.519 3.287 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121867279 1372108657 /nfs/dbraw/zinc/10/86/57/1372108657.db2.gz MFHCZODMSVKBFL-FCOWATRHSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001209455519 1372111614 /nfs/dbraw/zinc/11/16/14/1372111614.db2.gz URNQNOCDSRMYCJ-PXNSSMCTSA-N 2 0 345.531 3.403 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585161 1372143503 /nfs/dbraw/zinc/14/35/03/1372143503.db2.gz HEYRNNKSZTZOGG-LEJUBNGFSA-N 2 0 337.552 3.146 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209659912 1372163363 /nfs/dbraw/zinc/16/33/63/1372163363.db2.gz KBZVVTPJCPMSSN-MJRGOJFPSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209688256 1372170598 /nfs/dbraw/zinc/17/05/98/1372170598.db2.gz CKQYFWQCQHGQCX-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122093516 1372173154 /nfs/dbraw/zinc/17/31/54/1372173154.db2.gz FGPRRKHMTFXVIO-VOTSOKGWSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2 ZINC001122101682 1372175167 /nfs/dbraw/zinc/17/51/67/1372175167.db2.gz VWRNOHAKDYZGKC-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231828 1372207475 /nfs/dbraw/zinc/20/74/75/1372207475.db2.gz ZOROYROLOKGGHM-IPHBXJNRSA-N 2 0 349.563 3.457 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1C ZINC001210040733 1372261131 /nfs/dbraw/zinc/26/11/31/1372261131.db2.gz LSBYOEIRCYRALU-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133420 1372277946 /nfs/dbraw/zinc/27/79/46/1372277946.db2.gz PXKTZMIVKRKPDY-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@H]1C ZINC001210236456 1372301130 /nfs/dbraw/zinc/30/11/30/1372301130.db2.gz OOJNECANGOLXCH-FGTMMUONSA-N 2 0 343.531 3.073 20 0 EGADRP Nc1cc(Cl)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1Cl ZINC001210266843 1372310074 /nfs/dbraw/zinc/31/00/74/1372310074.db2.gz RRSNCCCUHFNKDP-UHFFFAOYSA-N 2 0 338.242 3.124 20 0 EGADRP Clc1ccc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc2n1 ZINC001210267492 1372310443 /nfs/dbraw/zinc/31/04/43/1372310443.db2.gz FVNUADBLYDHXLH-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP Fc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccc1C(F)(F)F ZINC001210267169 1372310521 /nfs/dbraw/zinc/31/05/21/1372310521.db2.gz VVHCMYTUFDYLET-UHFFFAOYSA-N 2 0 340.324 3.393 20 0 EGADRP c1ccc(C[C@H]2CN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001210266804 1372310578 /nfs/dbraw/zinc/31/05/78/1372310578.db2.gz JVLSFGWYTRLKFV-PKTZIBPZSA-N 2 0 349.522 3.025 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210493465 1372365851 /nfs/dbraw/zinc/36/58/51/1372365851.db2.gz LOKONMVYDSGOHI-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210492871 1372366156 /nfs/dbraw/zinc/36/61/56/1372366156.db2.gz FDDVFNOEYKIQGK-RBUKOAKNSA-N 2 0 345.531 3.287 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001210497257 1372366460 /nfs/dbraw/zinc/36/64/60/1372366460.db2.gz CAGZSRGPIJPKIO-QWFCFKBJSA-N 2 0 345.531 3.224 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001210586530 1372385109 /nfs/dbraw/zinc/38/51/09/1372385109.db2.gz XVYBFZNFNZMTKH-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210615030 1372391870 /nfs/dbraw/zinc/39/18/70/1372391870.db2.gz KJDFZJYWGZKWDX-PZJWPPBQSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001210635060 1372396952 /nfs/dbraw/zinc/39/69/52/1372396952.db2.gz WRAGTTFTGQFVNB-QZTJIDSGSA-N 2 0 343.531 3.217 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1)c1ccccc1 ZINC001210645794 1372399481 /nfs/dbraw/zinc/39/94/81/1372399481.db2.gz UPPSNDLULGPQPW-UFBUJHCKSA-N 2 0 349.906 3.013 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210743601 1372417690 /nfs/dbraw/zinc/41/76/90/1372417690.db2.gz JPNQHAPYURVTMJ-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210743613 1372417740 /nfs/dbraw/zinc/41/77/40/1372417740.db2.gz JVMSTKBZKNFFPI-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210750782 1372419118 /nfs/dbraw/zinc/41/91/18/1372419118.db2.gz LEZIUCTYBRYCNE-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)c1 ZINC001211242085 1372510510 /nfs/dbraw/zinc/51/05/10/1372510510.db2.gz YZFAPGULXIQRCH-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211248577 1372511657 /nfs/dbraw/zinc/51/16/57/1372511657.db2.gz IANARYGIBDOLAY-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001211262311 1372515362 /nfs/dbraw/zinc/51/53/62/1372515362.db2.gz NYWJRBUNRIGMMM-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001211286478 1372521562 /nfs/dbraw/zinc/52/15/62/1372521562.db2.gz UWDHTMMTJHDZNV-RTBURBONSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)ccc1C[NH+](C)C ZINC001123807345 1372595023 /nfs/dbraw/zinc/59/50/23/1372595023.db2.gz WXJTUFNYIUCGGD-POZUXBRTSA-N 2 0 329.488 3.116 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cc(C(F)(F)F)ccc2F)no1 ZINC001212335649 1372689744 /nfs/dbraw/zinc/68/97/44/1372689744.db2.gz GPDDGVKRYSRODG-AWEZNQCLSA-N 2 0 346.328 3.197 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636309 1373093244 /nfs/dbraw/zinc/09/32/44/1373093244.db2.gz HBSYCWRLYJERAJ-QWFCFKBJSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322839 1373115191 /nfs/dbraw/zinc/11/51/91/1373115191.db2.gz YDPSAEMKMOKGJA-QGZVFWFLSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)(C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)[NH+]1CCCCC1 ZINC001127322735 1373115426 /nfs/dbraw/zinc/11/54/26/1373115426.db2.gz VBQFPDYQSMHSGP-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855226 1373130467 /nfs/dbraw/zinc/13/04/67/1373130467.db2.gz AJTKDEOXCJGJSP-NSISKUIASA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855698 1373130499 /nfs/dbraw/zinc/13/04/99/1373130499.db2.gz LFEZCDYCJJCERA-HYLNVORRSA-N 2 0 347.547 3.186 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856029 1373130707 /nfs/dbraw/zinc/13/07/07/1373130707.db2.gz VEZYIIDKJXZNNP-ZRAQOITDSA-N 2 0 335.536 3.042 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890270 1373136441 /nfs/dbraw/zinc/13/64/41/1373136441.db2.gz UVRZGWVDJIYTCT-ZRAQOITDSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001127643925 1373152281 /nfs/dbraw/zinc/15/22/81/1373152281.db2.gz RKVHETAQTIUJQH-GPMSIDNRSA-N 2 0 345.531 3.091 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001214990181 1373152846 /nfs/dbraw/zinc/15/28/46/1373152846.db2.gz CUNCXCVWFKBHNY-IIDMSEBBSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583406 1388247847 /nfs/dbraw/zinc/24/78/47/1388247847.db2.gz ISHBOSYVOJCQEF-AWEZNQCLSA-N 2 0 335.879 3.133 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215387696 1373204459 /nfs/dbraw/zinc/20/44/59/1373204459.db2.gz SKMDNOILXXRVPD-RLLQIKCJSA-N 2 0 349.563 3.410 20 0 EGADRP [NH3+]Cc1cccc(-c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)c1 ZINC001215496965 1373208414 /nfs/dbraw/zinc/20/84/14/1373208414.db2.gz QZEWMUABMDMYIV-XYOKQWHBSA-N 2 0 347.422 3.324 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215930090 1373251413 /nfs/dbraw/zinc/25/14/13/1373251413.db2.gz OBSILDKFABBPFB-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128551117 1373289518 /nfs/dbraw/zinc/28/95/18/1373289518.db2.gz BCMIGECQZYCIND-OAHLLOKOSA-N 2 0 345.512 3.199 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1cccc2ccccc21 ZINC001129380908 1373378803 /nfs/dbraw/zinc/37/88/03/1373378803.db2.gz NXHNWUGRTIZXIP-INIZCTEOSA-N 2 0 339.483 3.091 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001129423052 1373382497 /nfs/dbraw/zinc/38/24/97/1373382497.db2.gz OTYJDDNGOFMBHO-OALUTQOASA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001129423054 1373382525 /nfs/dbraw/zinc/38/25/25/1373382525.db2.gz OTYJDDNGOFMBHO-RTBURBONSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)COc1ccc(-c2nnc([C@@](C)([NH3+])CCCC[NH3+])o2)cc1 ZINC001217756057 1373499036 /nfs/dbraw/zinc/49/90/36/1373499036.db2.gz MRVYIDDAQKFSEW-SFHVURJKSA-N 2 0 332.448 3.074 20 0 EGADRP C[C@@H]1C[C@H](OC[C@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)CC[NH2+]1 ZINC001217791732 1373500712 /nfs/dbraw/zinc/50/07/12/1373500712.db2.gz PEWHSWYSEMYKAW-QFUCXCTJSA-N 2 0 346.515 3.213 20 0 EGADRP c1ccc(CC[NH+]2CCC(OCCCC3CC[NH2+]CC3)CC2)cc1 ZINC001217901965 1373511177 /nfs/dbraw/zinc/51/11/77/1373511177.db2.gz XMZMXIRANPEMSQ-UHFFFAOYSA-N 2 0 330.516 3.490 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217916535 1373512463 /nfs/dbraw/zinc/51/24/63/1373512463.db2.gz IDZMNCDMURFENO-NQIIRXRSSA-N 2 0 346.515 3.456 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4C[NH2+]CCC[C@H]4F)cc32)CC1 ZINC001217982723 1373525693 /nfs/dbraw/zinc/52/56/93/1373525693.db2.gz WJDIFQCNINILJF-QUCCMNQESA-N 2 0 345.462 3.446 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]CC[C@H]2CCC[C@H](C)C2)ccc2c[nH+]cn21 ZINC001130658681 1373576491 /nfs/dbraw/zinc/57/64/91/1373576491.db2.gz KDFLRGMFDMBFLA-DOTOQJQBSA-N 2 0 342.487 3.179 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4C[NH2+]CC[C@H]4F)cc32)CC1 ZINC001218320388 1373595034 /nfs/dbraw/zinc/59/50/34/1373595034.db2.gz YEUMPMKYMBIUHR-MJGOQNOKSA-N 2 0 331.435 3.056 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001218939006 1373667997 /nfs/dbraw/zinc/66/79/97/1373667997.db2.gz ZPCPHBYMUYTYHC-NHCUHLMSSA-N 2 0 349.478 3.197 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC001131375272 1373686453 /nfs/dbraw/zinc/68/64/53/1373686453.db2.gz VWQQVWMFKXWRQQ-CYBMUJFWSA-N 2 0 342.830 3.068 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664329 1373787031 /nfs/dbraw/zinc/78/70/31/1373787031.db2.gz PNKONXBTQGRRKS-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP c1cnn(-c2ccc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cc2)n1 ZINC001222173604 1373818632 /nfs/dbraw/zinc/81/86/32/1373818632.db2.gz VUYKAIOOBQNSPH-FQEVSTJZSA-N 2 0 339.487 3.013 20 0 EGADRP Cc1cc(F)cc(Br)c1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222207651 1373821435 /nfs/dbraw/zinc/82/14/35/1373821435.db2.gz AVUBFWSKLNBDLH-UHFFFAOYSA-N 2 0 327.241 3.082 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CCC2CCCCCC2)CCCC1 ZINC001131840561 1373832745 /nfs/dbraw/zinc/83/27/45/1373832745.db2.gz OGOVSGZOQOXYKN-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCCCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224883829 1375082183 /nfs/dbraw/zinc/08/21/83/1375082183.db2.gz JTAXCFMXMCNCSN-IBGZPJMESA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557260 1375123796 /nfs/dbraw/zinc/12/37/96/1375123796.db2.gz IXSXEYVPQLBEFE-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188674045 1388359278 /nfs/dbraw/zinc/35/92/78/1388359278.db2.gz YGAUZPXLAFFRIL-GBESFXJTSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1CCCCC1 ZINC001132105199 1375150369 /nfs/dbraw/zinc/15/03/69/1375150369.db2.gz CLLNQTIJBLRRKQ-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107494 1375151690 /nfs/dbraw/zinc/15/16/90/1375151690.db2.gz ZMBNXLOKCJBLBX-MZIIKBMYSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132123911 1375158546 /nfs/dbraw/zinc/15/85/46/1375158546.db2.gz LHVHTYFBUAWAEE-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132123912 1375159193 /nfs/dbraw/zinc/15/91/93/1375159193.db2.gz LHVHTYFBUAWAEE-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140264 1375167355 /nfs/dbraw/zinc/16/73/55/1375167355.db2.gz HADWTBAKCDIBOE-IRXDYDNUSA-N 2 0 337.552 3.265 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132154382 1375174070 /nfs/dbraw/zinc/17/40/70/1375174070.db2.gz ZWKJMJPNUSJNMG-SJLPKXTDSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1C/C=C/c1ccccc1 ZINC001132265563 1375254343 /nfs/dbraw/zinc/25/43/43/1375254343.db2.gz OLOQVTKCFFHRIJ-ZPPSIVDRSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132265586 1375254816 /nfs/dbraw/zinc/25/48/16/1375254816.db2.gz PEIAJTBYPFBJME-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCCC(C)(C)C ZINC001132266034 1375255999 /nfs/dbraw/zinc/25/59/99/1375255999.db2.gz VCMBYPKWDBRYAV-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226554634 1375280733 /nfs/dbraw/zinc/28/07/33/1375280733.db2.gz RAMKAGBVTXBFSM-KZNAEPCWSA-N 2 0 343.531 3.120 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309771 1375287703 /nfs/dbraw/zinc/28/77/03/1375287703.db2.gz DDJFLPLXRZQBIX-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226766677 1375328603 /nfs/dbraw/zinc/32/86/03/1375328603.db2.gz NGLNPDZCBMAUCL-FFDHZPTDSA-N 2 0 341.927 3.019 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226766676 1375328776 /nfs/dbraw/zinc/32/87/76/1375328776.db2.gz NGLNPDZCBMAUCL-BNFMKIAJSA-N 2 0 341.927 3.019 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132375625 1375338005 /nfs/dbraw/zinc/33/80/05/1375338005.db2.gz GGDOSEOICFEEAF-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]2C)cc1 ZINC001132374964 1375338350 /nfs/dbraw/zinc/33/83/50/1375338350.db2.gz BHKONFXBFXISNM-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376192 1375338779 /nfs/dbraw/zinc/33/87/79/1375338779.db2.gz KXRLVUDOEZKYSX-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132381002 1375340577 /nfs/dbraw/zinc/34/05/77/1375340577.db2.gz SXRYSSDXAPQYPV-ASIGSXEYSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132409758 1375358677 /nfs/dbraw/zinc/35/86/77/1375358677.db2.gz DTUXOFAZFQVAHN-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132411071 1375359464 /nfs/dbraw/zinc/35/94/64/1375359464.db2.gz SJZCXBYSWRLJTH-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001132416896 1375365263 /nfs/dbraw/zinc/36/52/63/1375365263.db2.gz ODLQPARSUYQBSB-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132437372 1375382539 /nfs/dbraw/zinc/38/25/39/1375382539.db2.gz SMDYTMOGQXZSIC-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001227224312 1375408686 /nfs/dbraw/zinc/40/86/86/1375408686.db2.gz CJXVBNMBMOODOW-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)c1ccn2c[nH+]cc2c1 ZINC001227302208 1375418286 /nfs/dbraw/zinc/41/82/86/1375418286.db2.gz FPHANGOEGWNTEZ-QZTJIDSGSA-N 2 0 346.450 3.105 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517291 1375435501 /nfs/dbraw/zinc/43/55/01/1375435501.db2.gz AOZAUQOSSIAMIL-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)c1ccc2c[nH+]cn2c1 ZINC001227483071 1375436584 /nfs/dbraw/zinc/43/65/84/1375436584.db2.gz ISYWSUKSITWPFO-QZTJIDSGSA-N 2 0 346.450 3.105 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1Cc1ccsc1 ZINC001132524208 1375440289 /nfs/dbraw/zinc/44/02/89/1375440289.db2.gz FOVWLSIEQGFTKB-FUHWJXTLSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132526225 1375442853 /nfs/dbraw/zinc/44/28/53/1375442853.db2.gz ZJENHCRLSIHKCB-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703939 1375463969 /nfs/dbraw/zinc/46/39/69/1375463969.db2.gz OVZBQOXIOJDRPG-FULQXFFOSA-N 2 0 347.547 3.234 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227793031 1375475415 /nfs/dbraw/zinc/47/54/15/1375475415.db2.gz XJZRDFDDIJIJRX-IBGZPJMESA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001228054879 1375512553 /nfs/dbraw/zinc/51/25/53/1375512553.db2.gz SWHNDIXFMSQPKN-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001228065598 1375514589 /nfs/dbraw/zinc/51/45/89/1375514589.db2.gz RQYONFWVHADFSM-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790662 1375566876 /nfs/dbraw/zinc/56/68/76/1375566876.db2.gz IZXIRTSCXWIGMJ-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001228610529 1375615669 /nfs/dbraw/zinc/61/56/69/1375615669.db2.gz IPZPQHROUIVJRB-WOJBJXKFSA-N 2 0 345.531 3.221 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132956172 1375671905 /nfs/dbraw/zinc/67/19/05/1375671905.db2.gz ZMDSXGPXFPRZHJ-SJLPKXTDSA-N 2 0 342.487 3.068 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001228904691 1375711441 /nfs/dbraw/zinc/71/14/41/1375711441.db2.gz UBEAPLHPKIIYEN-SFHVURJKSA-N 2 0 345.531 3.287 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001228931912 1375718771 /nfs/dbraw/zinc/71/87/71/1375718771.db2.gz GGDGMGSQTDRWEW-SBUVDCAVSA-N 2 0 349.563 3.482 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133030923 1375724483 /nfs/dbraw/zinc/72/44/83/1375724483.db2.gz LQRLIYMFRNUFKZ-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001133043373 1375734953 /nfs/dbraw/zinc/73/49/53/1375734953.db2.gz VWMUUUZFGBUYLQ-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001229463053 1375840816 /nfs/dbraw/zinc/84/08/16/1375840816.db2.gz XKNPCGHOUYMWDY-PYTPGESOSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001229523496 1375850603 /nfs/dbraw/zinc/85/06/03/1375850603.db2.gz GBQDJYMJRVIKAR-CSODTCANSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001229524109 1375850630 /nfs/dbraw/zinc/85/06/30/1375850630.db2.gz OFSCYXMQDLKQIV-XUVXKRRUSA-N 2 0 343.515 3.033 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133224774 1375853224 /nfs/dbraw/zinc/85/32/24/1375853224.db2.gz DUKQDPMMOMNFAF-VXOKQSJXSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001133262848 1375879341 /nfs/dbraw/zinc/87/93/41/1375879341.db2.gz MQSPFADYJMDROS-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001133263230 1375879468 /nfs/dbraw/zinc/87/94/68/1375879468.db2.gz REAXBWKWJQUYQT-OALUTQOASA-N 2 0 339.568 3.229 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC001133281806 1375893788 /nfs/dbraw/zinc/89/37/88/1375893788.db2.gz NIFUFCMNVUZIPH-INIZCTEOSA-N 2 0 345.531 3.093 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133333618 1375929238 /nfs/dbraw/zinc/92/92/38/1375929238.db2.gz JVWDTWRSGJJHTH-PMACEKPBSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133334440 1375930161 /nfs/dbraw/zinc/93/01/61/1375930161.db2.gz XJKQXXBSRRUVSC-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230074451 1375941653 /nfs/dbraw/zinc/94/16/53/1375941653.db2.gz PGFRNHQJDMNHMK-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC001230107335 1375943645 /nfs/dbraw/zinc/94/36/45/1375943645.db2.gz AKYIOVDWVRHNGX-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133360771 1375944835 /nfs/dbraw/zinc/94/48/35/1375944835.db2.gz OGTMARIJIIQISB-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001230107813 1375944929 /nfs/dbraw/zinc/94/49/29/1375944929.db2.gz ZCXRBFAWKIDDDI-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001230274925 1375980423 /nfs/dbraw/zinc/98/04/23/1375980423.db2.gz SXXNVKNCNKJGKF-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598111 1376092878 /nfs/dbraw/zinc/09/28/78/1376092878.db2.gz FOXMCYWFDQZVIA-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC)CC1 ZINC001230611364 1376101468 /nfs/dbraw/zinc/10/14/68/1376101468.db2.gz RLUCHKRXSXZEQE-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631111 1376108934 /nfs/dbraw/zinc/10/89/34/1376108934.db2.gz XKPPBXYFISOSCO-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1cccc2ccccc21)[NH+](CC)CC ZINC001133684986 1376154655 /nfs/dbraw/zinc/15/46/55/1376154655.db2.gz OGHQEGXXTDXGBP-FQEVSTJZSA-N 2 0 341.499 3.166 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)cc1 ZINC001133819762 1376217561 /nfs/dbraw/zinc/21/75/61/1376217561.db2.gz NOWBIVZRZLFJQE-SJORKVTESA-N 2 0 331.504 3.061 20 0 EGADRP c1c(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)[nH]c2cc[nH+]cc12 ZINC001232013705 1376382331 /nfs/dbraw/zinc/38/23/31/1376382331.db2.gz SSVJSIYXFDLVLJ-AZUAARDMSA-N 2 0 341.455 3.113 20 0 EGADRP COc1cccnc1O[C@H]1CCCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018922 1376386355 /nfs/dbraw/zinc/38/63/55/1376386355.db2.gz QZGSBUOYBBRPLJ-INIZCTEOSA-N 2 0 338.411 3.010 20 0 EGADRP Oc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)c1 ZINC001232041318 1376387454 /nfs/dbraw/zinc/38/74/54/1376387454.db2.gz HJCYSVVUNVJVOH-UHFFFAOYSA-N 2 0 343.496 3.337 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(Oc3cccnc3)CC2)c1 ZINC001232145773 1376408461 /nfs/dbraw/zinc/40/84/61/1376408461.db2.gz AKEVWKLPZAQLRX-UHFFFAOYSA-N 2 0 343.446 3.326 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(OC)cc1Cl ZINC001232374000 1376453076 /nfs/dbraw/zinc/45/30/76/1376453076.db2.gz VXMUTCXGUVGWDS-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc2ncoc2c1 ZINC001232945443 1376544671 /nfs/dbraw/zinc/54/46/71/1376544671.db2.gz TVSDDXVHTZPQFS-UHFFFAOYSA-N 2 0 346.519 3.313 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC001232987530 1376551451 /nfs/dbraw/zinc/55/14/51/1376551451.db2.gz YOCAIQIYCDDJQM-UHFFFAOYSA-N 2 0 327.516 3.023 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1sccc1C[NH+](C)C)[NH2+]CCC1CC1 ZINC001134518662 1376574623 /nfs/dbraw/zinc/57/46/23/1376574623.db2.gz GFFKISAVLXZRAB-KGLIPLIRSA-N 2 0 337.533 3.096 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001134520355 1376575432 /nfs/dbraw/zinc/57/54/32/1376575432.db2.gz PGBMMGLHNGNRME-ZIAGYGMSSA-N 2 0 337.533 3.096 20 0 EGADRP CCN(CCC[NH+](C)C)Cc1cc(Br)cc(OC)c1 ZINC001233219338 1376590044 /nfs/dbraw/zinc/59/00/44/1376590044.db2.gz YTIUNIBCDUHEEW-UHFFFAOYSA-N 2 0 329.282 3.231 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001327213733 1388447015 /nfs/dbraw/zinc/44/70/15/1388447015.db2.gz VGTFMEZSEGZXBP-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CCC1=CCCCC1 ZINC001134612906 1376624952 /nfs/dbraw/zinc/62/49/52/1376624952.db2.gz QTFLIKCGTHDYFN-SJORKVTESA-N 2 0 335.536 3.234 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730225 1376683609 /nfs/dbraw/zinc/68/36/09/1376683609.db2.gz USXDGWMWIUBRGZ-OSFIAYCASA-N 2 0 335.536 3.092 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001134772713 1376711826 /nfs/dbraw/zinc/71/18/26/1376711826.db2.gz GYJKSHBUZQNSMW-QZTJIDSGSA-N 2 0 347.547 3.407 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858558 1376757641 /nfs/dbraw/zinc/75/76/41/1376757641.db2.gz WALAJEFZXOOVBL-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858851 1376758057 /nfs/dbraw/zinc/75/80/57/1376758057.db2.gz ZEXFTQVNJKCUAP-IKSUFZCESA-N 2 0 335.536 3.234 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323914 1376811816 /nfs/dbraw/zinc/81/18/16/1376811816.db2.gz WDCXCKFHMPLBIT-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP c1ccc2c(c1)Cc1cc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)ccc1-2 ZINC001235035538 1376832641 /nfs/dbraw/zinc/83/26/41/1376832641.db2.gz FINSLNVOZPCSTR-XMSQKQJNSA-N 2 0 334.463 3.068 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH2+]CC1CCCCC1 ZINC001134998719 1376835190 /nfs/dbraw/zinc/83/51/90/1376835190.db2.gz LLIYGCIJHAIMPD-CVEARBPZSA-N 2 0 342.487 3.401 20 0 EGADRP FC(F)(F)Sc1cccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235042602 1376839490 /nfs/dbraw/zinc/83/94/90/1376839490.db2.gz YBJZHRMPQYURBS-UKRRQHHQSA-N 2 0 346.418 3.109 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125287 1376855236 /nfs/dbraw/zinc/85/52/36/1376855236.db2.gz OMEKHMQGCWPVMQ-NHCUHLMSSA-N 2 0 327.516 3.259 20 0 EGADRP COc1cc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429856 1376871026 /nfs/dbraw/zinc/87/10/26/1376871026.db2.gz RTSIIIWAVCSHGE-CABCVRRESA-N 2 0 336.451 3.055 20 0 EGADRP c1ccc(-c2ncnc3c2CC[N@H+](CC[C@@H]2CCCC[NH2+]2)CC3)cc1 ZINC001235585838 1376877802 /nfs/dbraw/zinc/87/78/02/1376877802.db2.gz YQAJGOJOKXBVLA-SFHVURJKSA-N 2 0 336.483 3.076 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CC1CCC1 ZINC001135078011 1376882317 /nfs/dbraw/zinc/88/23/17/1376882317.db2.gz XMSZIMGZGAZJSD-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081499 1376884931 /nfs/dbraw/zinc/88/49/31/1376884931.db2.gz NIDNVOPESWRCBM-HNGSOEQISA-N 2 0 337.552 3.480 20 0 EGADRP Clc1cccc([C@@H]2CC[N@H+](CC[C@@H]3C[NH2+]CCO3)C2)c1Cl ZINC001235885225 1376910586 /nfs/dbraw/zinc/91/05/86/1376910586.db2.gz TWYLNECEKZDKPQ-CHWSQXEVSA-N 2 0 329.271 3.161 20 0 EGADRP [NH3+]CCN(CC[C@@H]1CCCC[NH2+]1)Cc1ccc(Cl)cc1Cl ZINC001235885867 1376910680 /nfs/dbraw/zinc/91/06/80/1376910680.db2.gz LJQQYSXCGOWKJT-HNNXBMFYSA-N 2 0 330.303 3.286 20 0 EGADRP CC[NH+]1CCC(CN(CC[NH3+])Cc2ccc(Cl)cc2Cl)CC1 ZINC001235887084 1376911146 /nfs/dbraw/zinc/91/11/46/1376911146.db2.gz GWJPUKHQNUOFSO-UHFFFAOYSA-N 2 0 344.330 3.486 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc(F)c(CO)c3F)cc2)CC1 ZINC001235896310 1376911839 /nfs/dbraw/zinc/91/18/39/1376911839.db2.gz NFHMZEXYCHFPMS-UHFFFAOYSA-N 2 0 346.421 3.295 20 0 EGADRP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)cc2)c1 ZINC001236076503 1376931809 /nfs/dbraw/zinc/93/18/09/1376931809.db2.gz AXXFORTVMNAQSM-JOCHJYFZSA-N 2 0 335.495 3.269 20 0 EGADRP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](N4CC([NH3+])C4)C3)c2)cc1 ZINC001236077055 1376932618 /nfs/dbraw/zinc/93/26/18/1376932618.db2.gz FKPKZVVWXZRNGY-QFIPXVFZSA-N 2 0 335.495 3.269 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299119 1377027160 /nfs/dbraw/zinc/02/71/60/1377027160.db2.gz UNVPPGYXGXQYGY-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCC[NH+](C)C ZINC001135314697 1377033834 /nfs/dbraw/zinc/03/38/34/1377033834.db2.gz FSEWAJSUUWAMKA-IRXDYDNUSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135316344 1377034411 /nfs/dbraw/zinc/03/44/11/1377034411.db2.gz UNSCLSYGRYXLDK-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC001135337256 1377044723 /nfs/dbraw/zinc/04/47/23/1377044723.db2.gz XTNDGDWXNRVJEA-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP CC[C@@H]1CC([NH2+][C@@H](CC(C)C)C(=O)NCCC(C)C)C[C@@H](CC)[NH2+]1 ZINC001246292298 1377051159 /nfs/dbraw/zinc/05/11/59/1377051159.db2.gz JFEFZYQPHKCBII-LMMKCTJWSA-N 2 0 339.568 3.462 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246383147 1377051743 /nfs/dbraw/zinc/05/17/43/1377051743.db2.gz DMNQPLZZSLXKAT-VQTJNVASSA-N 3 0 347.522 3.104 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246543295 1377052012 /nfs/dbraw/zinc/05/20/12/1377052012.db2.gz MLCFWSIMUOPSJS-YOEHRIQHSA-N 2 0 343.298 3.026 20 0 EGADRP Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[NH2+][C@@H](CC(C)C)C2)CC[NH2+]1 ZINC001246822685 1377055407 /nfs/dbraw/zinc/05/54/07/1377055407.db2.gz MQZBNFOJZOSTKU-NLWGTHIKSA-N 2 0 333.495 3.247 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001135437065 1377097029 /nfs/dbraw/zinc/09/70/29/1377097029.db2.gz LWZVZMUSWXODPW-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001135437857 1377097706 /nfs/dbraw/zinc/09/77/06/1377097706.db2.gz ZBJWXMYUWLYXQA-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(Cc3cc(F)ccc3F)CC2)CC1 ZINC001254510190 1377105855 /nfs/dbraw/zinc/10/58/55/1377105855.db2.gz SQTNEXNABGHLAB-KRWDZBQOSA-N 2 0 337.458 3.003 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254530037 1377107083 /nfs/dbraw/zinc/10/70/83/1377107083.db2.gz TYHXGHXIWXGRSI-XUVXKRRUSA-N 2 0 344.499 3.282 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477479 1377111558 /nfs/dbraw/zinc/11/15/58/1377111558.db2.gz VNGFZBHRSHFUCN-CZDHMLMNSA-N 2 0 325.541 3.194 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CCCC1CCCC1)C(C)C ZINC001135477349 1377111711 /nfs/dbraw/zinc/11/17/11/1377111711.db2.gz DJEBGNNYUIVECF-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481104 1377113043 /nfs/dbraw/zinc/11/30/43/1377113043.db2.gz QDAKCNUOXNIYDV-HZPDHXFCSA-N 2 0 327.557 3.273 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135705649 1377190082 /nfs/dbraw/zinc/19/00/82/1377190082.db2.gz GZPMEYQILTYKJH-IRXDYDNUSA-N 2 0 345.531 3.279 20 0 EGADRP CCc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001135705998 1377190782 /nfs/dbraw/zinc/19/07/82/1377190782.db2.gz MOTCAGGQHXNBGD-ZWKOTPCHSA-N 2 0 347.547 3.006 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135743168 1377199113 /nfs/dbraw/zinc/19/91/13/1377199113.db2.gz GFICFYLOGSRMHN-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767954 1377206103 /nfs/dbraw/zinc/20/61/03/1377206103.db2.gz KURZACXWOAWQQI-QZTJIDSGSA-N 2 0 335.536 3.092 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135861641 1377238647 /nfs/dbraw/zinc/23/86/47/1377238647.db2.gz UYBKMFYTWFIXHM-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C/c1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001135961408 1377277225 /nfs/dbraw/zinc/27/72/25/1377277225.db2.gz PWSSWHMJCZTGDM-LIVJGKJPSA-N 2 0 345.531 3.305 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961435 1377277265 /nfs/dbraw/zinc/27/72/65/1377277265.db2.gz QKKHKDZHZCLAPZ-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cc1C ZINC001135973736 1377282378 /nfs/dbraw/zinc/28/23/78/1377282378.db2.gz CSLRLGZIXFICJH-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001135974494 1377283414 /nfs/dbraw/zinc/28/34/14/1377283414.db2.gz QEAKAWOESTYKLQ-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001135974838 1377283645 /nfs/dbraw/zinc/28/36/45/1377283645.db2.gz WKAMWKHWPQKIMK-ZWKOTPCHSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135976997 1377284561 /nfs/dbraw/zinc/28/45/61/1377284561.db2.gz PHTAIXOPYVNAJF-STQMWFEESA-N 2 0 345.940 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135981132 1377285780 /nfs/dbraw/zinc/28/57/80/1377285780.db2.gz YOACEWUNNKLUFN-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccc(CC)cc1 ZINC001135980304 1377286108 /nfs/dbraw/zinc/28/61/08/1377286108.db2.gz NIYQNQFNMFQWES-ZWKOTPCHSA-N 2 0 347.547 3.006 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001135995411 1377291710 /nfs/dbraw/zinc/29/17/10/1377291710.db2.gz FAPNTANWPVOKMH-OALUTQOASA-N 2 0 347.547 3.224 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001266361366 1377296147 /nfs/dbraw/zinc/29/61/47/1377296147.db2.gz LVZUMRDYDHEDOO-QUCCMNQESA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001136759340 1377420569 /nfs/dbraw/zinc/42/05/69/1377420569.db2.gz CMAYZWXJIHPNCZ-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)Oc1ccccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001137139083 1377483978 /nfs/dbraw/zinc/48/39/78/1377483978.db2.gz FGUUZRAAIIHIJQ-UHFFFAOYSA-N 2 0 335.536 3.179 20 0 EGADRP O=c1[nH]c2ccccc2cc1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001137187337 1377494092 /nfs/dbraw/zinc/49/40/92/1377494092.db2.gz QINBPGWWDRZOMJ-UHFFFAOYSA-N 2 0 343.446 3.339 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1c[nH]c2ncccc12 ZINC001137404241 1377541299 /nfs/dbraw/zinc/54/12/99/1377541299.db2.gz FAWOQDJWGMYIAB-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP COc1cccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535352 1377562402 /nfs/dbraw/zinc/56/24/02/1377562402.db2.gz JEVSSFAXINLCKJ-OALUTQOASA-N 2 0 337.467 3.044 20 0 EGADRP Cc1ccc(Cl)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1F ZINC001138034424 1377668732 /nfs/dbraw/zinc/66/87/32/1377668732.db2.gz DKPUIDMEWNJIKN-UHFFFAOYSA-N 2 0 343.918 3.493 20 0 EGADRP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(C)c1 ZINC001138436410 1377724281 /nfs/dbraw/zinc/72/42/81/1377724281.db2.gz HLZRGUMYOMBWAK-UHFFFAOYSA-N 2 0 325.456 3.419 20 0 EGADRP CCSc1ncc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cn1 ZINC001138655007 1377763723 /nfs/dbraw/zinc/76/37/23/1377763723.db2.gz PGAQHCYWORCCFJ-UHFFFAOYSA-N 2 0 334.533 3.142 20 0 EGADRP CNc1ncccc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695266 1377769787 /nfs/dbraw/zinc/76/97/87/1377769787.db2.gz ZXBQMMCLSCTGRR-QUCCMNQESA-N 2 0 336.483 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772590 1377782461 /nfs/dbraw/zinc/78/24/61/1377782461.db2.gz SAYLADNMFKGMMT-UHFFFAOYSA-N 3 0 347.547 3.179 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)cn1 ZINC001327433954 1388518368 /nfs/dbraw/zinc/51/83/68/1388518368.db2.gz NJMVJKISRBSLRZ-FQEVSTJZSA-N 2 0 338.499 3.251 20 0 EGADRP CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139356151 1377872698 /nfs/dbraw/zinc/87/26/98/1377872698.db2.gz FSPZKEQFYURDJP-QGZVFWFLSA-N 2 0 327.428 3.038 20 0 EGADRP COc1ccc(-c2ncc(C[NH+]3CC4(C3)CC[NH+](C)CC4)s2)cc1 ZINC001139794306 1377951252 /nfs/dbraw/zinc/95/12/52/1377951252.db2.gz AGZHXBHYCNQNPW-UHFFFAOYSA-N 2 0 343.496 3.346 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cnc(-c3cccc(F)c3)s1)CC2 ZINC001140421156 1378060517 /nfs/dbraw/zinc/06/05/17/1378060517.db2.gz PGIXRXYYNDMETM-UHFFFAOYSA-N 2 0 331.460 3.477 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2ncc(Br)cc12 ZINC001140462103 1378067392 /nfs/dbraw/zinc/06/73/92/1378067392.db2.gz QHFULILHAFQHDC-UHFFFAOYSA-N 2 0 339.281 3.099 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001274810011 1378133605 /nfs/dbraw/zinc/13/36/05/1378133605.db2.gz YNKTVSAOISCTFN-ROUUACIJSA-N 2 0 345.531 3.352 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2coc3ccccc23)CC1 ZINC001140786347 1378135882 /nfs/dbraw/zinc/13/58/82/1378135882.db2.gz DJOBKNFRGIVDGH-UHFFFAOYSA-N 2 0 329.488 3.282 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3cc(F)c(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001140879255 1378167480 /nfs/dbraw/zinc/16/74/80/1378167480.db2.gz URNIFBNNBUIAEV-NEPJUHHUSA-N 2 0 334.332 3.367 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001276492580 1378175805 /nfs/dbraw/zinc/17/58/05/1378175805.db2.gz WMJSZYFZZPCFPW-FCHUYYIVSA-N 2 0 341.543 3.459 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492496 1378176008 /nfs/dbraw/zinc/17/60/08/1378176008.db2.gz VECZNCMKPLVDGA-OAQYLSRUSA-N 2 0 344.547 3.035 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(-c4cnccn4)cc3)C2)C1 ZINC001276871699 1378190782 /nfs/dbraw/zinc/19/07/82/1378190782.db2.gz CMOWQJQNEJZPHC-OAQYLSRUSA-N 2 0 336.483 3.451 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001140973206 1378196987 /nfs/dbraw/zinc/19/69/87/1378196987.db2.gz GRLWWTFJVNNVBT-NRFANRHFSA-N 2 0 336.483 3.171 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH+]2CCc3ccccc3CC2)CC1 ZINC001140974174 1378197768 /nfs/dbraw/zinc/19/77/68/1378197768.db2.gz WKVRPMWTFUGBGM-UHFFFAOYSA-N 2 0 335.495 3.039 20 0 EGADRP Cn1ccc(-c2ccc(C[NH+]3CCC4(CCC[N@H+](C)C4)CC3)cc2)n1 ZINC001277254700 1378213456 /nfs/dbraw/zinc/21/34/56/1378213456.db2.gz YIHRXGDXNVXXEX-UHFFFAOYSA-N 2 0 338.499 3.395 20 0 EGADRP c1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC001279170568 1378300423 /nfs/dbraw/zinc/30/04/23/1378300423.db2.gz BFTKYNQMWASQNX-UHFFFAOYSA-N 2 0 349.482 3.379 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccnc5[nH]ccc54)C[C@@H]3C2)cc1 ZINC001142873348 1378500006 /nfs/dbraw/zinc/50/00/06/1378500006.db2.gz NFLQCBAMWOQBHK-BGYRXZFFSA-N 2 0 346.478 3.435 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5n[nH]cc54)C[C@@H]3C2)cc1 ZINC001143090184 1378537245 /nfs/dbraw/zinc/53/72/45/1378537245.db2.gz MBNFGQBJQANYPQ-PMACEKPBSA-N 2 0 346.478 3.435 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC001143350305 1378584895 /nfs/dbraw/zinc/58/48/95/1378584895.db2.gz GTPCFZTUOPLNNL-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001282736383 1378586837 /nfs/dbraw/zinc/58/68/37/1378586837.db2.gz BLOIRAIEQYAPID-LPHOPBHVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@H+](CC1CCCCCC1)C2 ZINC001282972943 1378693384 /nfs/dbraw/zinc/69/33/84/1378693384.db2.gz OPIUBFINELTDHU-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Oc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC001144259175 1378706263 /nfs/dbraw/zinc/70/62/63/1378706263.db2.gz LLZODLDGFLRWKT-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001146341559 1378821598 /nfs/dbraw/zinc/82/15/98/1378821598.db2.gz ZHANGEGCTDHNMT-QZTJIDSGSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537227 1378863198 /nfs/dbraw/zinc/86/31/98/1378863198.db2.gz XNMDYTOLKJQVKR-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCC1CC1 ZINC001146583448 1378871008 /nfs/dbraw/zinc/87/10/08/1378871008.db2.gz LFIUBURXCVGGTO-CVEARBPZSA-N 2 0 331.504 3.035 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001146608777 1378876512 /nfs/dbraw/zinc/87/65/12/1378876512.db2.gz BDQOOLQWBXZQDV-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146712154 1378905054 /nfs/dbraw/zinc/90/50/54/1378905054.db2.gz AIMGWZOZBPUZIK-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001147300801 1379003142 /nfs/dbraw/zinc/00/31/42/1379003142.db2.gz DEFBCKGTRLZHPS-ZWKOTPCHSA-N 2 0 349.563 3.031 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001147339635 1379006233 /nfs/dbraw/zinc/00/62/33/1379006233.db2.gz JPZWPSVHUPJIQW-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001147348164 1379007435 /nfs/dbraw/zinc/00/74/35/1379007435.db2.gz GCTMLRIESUEYLL-RGFVMQALSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001147449539 1379023442 /nfs/dbraw/zinc/02/34/42/1379023442.db2.gz SWGUBEAGAYFSRX-GOSISDBHSA-N 2 0 327.557 3.277 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001147774161 1379076716 /nfs/dbraw/zinc/07/67/16/1379076716.db2.gz RPYMPTXDKUTDBE-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147985465 1379103193 /nfs/dbraw/zinc/10/31/93/1379103193.db2.gz ICEBQWFSJIGQPI-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1cccc2ccccc21 ZINC001148365213 1379157827 /nfs/dbraw/zinc/15/78/27/1379157827.db2.gz LEAAVFSQWUDOLS-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001148643162 1379233059 /nfs/dbraw/zinc/23/30/59/1379233059.db2.gz SKNGVWVDINIMEE-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](CC)c1ccccc1)C2 ZINC001148651756 1379233997 /nfs/dbraw/zinc/23/39/97/1379233997.db2.gz PFOVXHHDBSWCQC-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001148819992 1379275575 /nfs/dbraw/zinc/27/55/75/1379275575.db2.gz SFZHFYKKEDHZOC-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001149346921 1379367697 /nfs/dbraw/zinc/36/76/97/1379367697.db2.gz MKXISNUOOJXAMK-HNNXBMFYSA-N 2 0 340.471 3.030 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001151361299 1379704928 /nfs/dbraw/zinc/70/49/28/1379704928.db2.gz DMPLNASCLLOOAE-LJQANCHMSA-N 2 0 331.504 3.110 20 0 EGADRP O=C(NCC1CC[NH+](C2CCCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001152202780 1379884370 /nfs/dbraw/zinc/88/43/70/1379884370.db2.gz UQHQTCMVQSSQPI-UHFFFAOYSA-N 2 0 340.471 3.109 20 0 EGADRP CC1CC(C[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C)C1 ZINC001284629728 1380032771 /nfs/dbraw/zinc/03/27/71/1380032771.db2.gz GBILTLPEKOOEMR-JCYILVPMSA-N 2 0 339.568 3.131 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)(C)C)CC[N@@H+]1C ZINC001153501371 1380085922 /nfs/dbraw/zinc/08/59/22/1380085922.db2.gz MAFWBZBRTUGDQB-FGTMMUONSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)(C)C1 ZINC001153720333 1380118961 /nfs/dbraw/zinc/11/89/61/1380118961.db2.gz CGAIBGQNDFTHFJ-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153827924 1380138278 /nfs/dbraw/zinc/13/82/78/1380138278.db2.gz BFIGHTPZIXZCHM-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116544 1380211794 /nfs/dbraw/zinc/21/17/94/1380211794.db2.gz PJPUSWCYWADJQR-OAHLLOKOSA-N 2 0 330.476 3.129 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347572 1380261125 /nfs/dbraw/zinc/26/11/25/1380261125.db2.gz HLLUEWILXULSAB-OAHLLOKOSA-N 2 0 330.476 3.211 20 0 EGADRP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464447 1380282940 /nfs/dbraw/zinc/28/29/40/1380282940.db2.gz LHXJWVLQCFYJKX-OQRGYWNNSA-N 2 0 343.943 3.220 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480995 1380285688 /nfs/dbraw/zinc/28/56/88/1380285688.db2.gz JTJGOVXWCGZUIP-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481989 1380286559 /nfs/dbraw/zinc/28/65/59/1380286559.db2.gz VUEOWHMXUPBIOY-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898335 1380374402 /nfs/dbraw/zinc/37/44/02/1380374402.db2.gz INFRKZYPZKHNOY-QGZVFWFLSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904187 1380374562 /nfs/dbraw/zinc/37/45/62/1380374562.db2.gz OJFDUFCLTBKOHN-GOSISDBHSA-N 2 0 347.547 3.478 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903798 1380374652 /nfs/dbraw/zinc/37/46/52/1380374652.db2.gz DUCAPCIZRFZQID-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP Cn1cc(CNc2cccc(N3CCC([NH3+])CC3)[nH+]2)c2ccccc21 ZINC001155286666 1380433625 /nfs/dbraw/zinc/43/36/25/1380433625.db2.gz IHBTWENRCNOXLG-UHFFFAOYSA-N 2 0 335.455 3.113 20 0 EGADRP CC(C)Oc1cc[nH+]c(NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001155999647 1380511875 /nfs/dbraw/zinc/51/18/75/1380511875.db2.gz HWAACMGMMCCIPH-UHFFFAOYSA-N 2 0 326.444 3.343 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131228 1380529294 /nfs/dbraw/zinc/52/92/94/1380529294.db2.gz IRHYILQSPOLBJC-CNZFZVQHSA-N 2 0 337.552 3.290 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156298836 1380553878 /nfs/dbraw/zinc/55/38/78/1380553878.db2.gz DAHZPSNXXSNMMQ-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428205 1380574743 /nfs/dbraw/zinc/57/47/43/1380574743.db2.gz AWDDQPXMXQCYEY-OAHLLOKOSA-N 2 0 334.508 3.024 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428785 1380575156 /nfs/dbraw/zinc/57/51/56/1380575156.db2.gz ZUZKGZLGFNBIJW-MRXNPFEDSA-N 2 0 334.508 3.024 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475390 1380581303 /nfs/dbraw/zinc/58/13/03/1380581303.db2.gz CNUQEBNBTMBOIO-QZEKMECESA-N 2 0 325.541 3.291 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001156926318 1380730845 /nfs/dbraw/zinc/73/08/45/1380730845.db2.gz XMEHRGWIPLQTLX-KRWDZBQOSA-N 2 0 346.519 3.136 20 0 EGADRP COCc1ccnc(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001157066824 1380766616 /nfs/dbraw/zinc/76/66/16/1380766616.db2.gz NLZJITMCNACDDR-UHFFFAOYSA-N 2 0 343.446 3.468 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091788 1380774448 /nfs/dbraw/zinc/77/44/48/1380774448.db2.gz BOUGJOAKLPEUGC-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109330 1380777531 /nfs/dbraw/zinc/77/75/31/1380777531.db2.gz NELLYNDBIDKPCD-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109482 1380778009 /nfs/dbraw/zinc/77/80/09/1380778009.db2.gz PACZNCRLHMVPAH-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113329 1380778994 /nfs/dbraw/zinc/77/89/94/1380778994.db2.gz HOTFHPVROQEGBL-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137966 1380783985 /nfs/dbraw/zinc/78/39/85/1380783985.db2.gz KDFVHOOCPBLVKO-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701406 1381008187 /nfs/dbraw/zinc/00/81/87/1381008187.db2.gz DNQZUCGJTZMDBU-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001157893392 1381063534 /nfs/dbraw/zinc/06/35/34/1381063534.db2.gz FEHYVBFRJPYYIU-RBUKOAKNSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001157893813 1381064468 /nfs/dbraw/zinc/06/44/68/1381064468.db2.gz NNGVYOCOTDFKSB-PMACEKPBSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C)cs1 ZINC001328253614 1388699502 /nfs/dbraw/zinc/69/95/02/1388699502.db2.gz BMLFAMXCMVDCPK-WMLDXEAASA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CC2)C1 ZINC001158065076 1381117848 /nfs/dbraw/zinc/11/78/48/1381117848.db2.gz DETASXBJAKWAQS-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001158073616 1381121023 /nfs/dbraw/zinc/12/10/23/1381121023.db2.gz QQCSOGNIWBYBKX-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158072798 1381121534 /nfs/dbraw/zinc/12/15/34/1381121534.db2.gz DJYMJYGZJVNZLP-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP CC1(C)CC(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001158099966 1381127480 /nfs/dbraw/zinc/12/74/80/1381127480.db2.gz UGOGIZHSSSNJJC-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001158165370 1381146397 /nfs/dbraw/zinc/14/63/97/1381146397.db2.gz VQMOWRLSECJROY-GOSISDBHSA-N 2 0 342.487 3.369 20 0 EGADRP [NH3+]C1CCN(c2cccc(N[C@@H](C3CCC3)C(F)(F)F)[nH+]2)CC1 ZINC001158400945 1381232046 /nfs/dbraw/zinc/23/20/46/1381232046.db2.gz IZUBJJNBQPQFGL-HNNXBMFYSA-N 2 0 328.382 3.152 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158433996 1381244508 /nfs/dbraw/zinc/24/45/08/1381244508.db2.gz GHDDVNSIYTWWNG-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158438604 1381247531 /nfs/dbraw/zinc/24/75/31/1381247531.db2.gz ZRCOAGAYZLTBIE-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC001158768404 1381390962 /nfs/dbraw/zinc/39/09/62/1381390962.db2.gz VYOVWBSWGWZQFU-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001158923160 1381465872 /nfs/dbraw/zinc/46/58/72/1381465872.db2.gz RHAUQDPMUGGQMX-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159011242 1381510359 /nfs/dbraw/zinc/51/03/59/1381510359.db2.gz UMVSGOKLWXMRND-UHFFFAOYSA-N 2 0 332.451 3.215 20 0 EGADRP c1ccc2c(c1)C[NH2+]C21CCN(c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001159030970 1381522683 /nfs/dbraw/zinc/52/26/83/1381522683.db2.gz BYPLVGHNAPZOKC-UHFFFAOYSA-N 2 0 334.467 3.281 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21)[NH+](C)C ZINC001328412868 1388739797 /nfs/dbraw/zinc/73/97/97/1388739797.db2.gz KNEUWRRBPFGLAV-KYNGSXCRSA-N 2 0 349.494 3.028 20 0 EGADRP CC(C)(C)c1cc(N(CC2CC[NH2+]CC2)c2ncccc2N)cc[nH+]1 ZINC001159334135 1381767721 /nfs/dbraw/zinc/76/77/21/1381767721.db2.gz RNYBRNSQNSQRCT-UHFFFAOYSA-N 2 0 339.487 3.494 20 0 EGADRP c1cc(C2CC[NH2+]CC2)ccc1Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001159339941 1381770450 /nfs/dbraw/zinc/77/04/50/1381770450.db2.gz QAWLWFBAJLZDMV-LJQANCHMSA-N 2 0 338.455 3.033 20 0 EGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159539664 1381822752 /nfs/dbraw/zinc/82/27/52/1381822752.db2.gz KPKHSSVTKUWQEE-UHFFFAOYSA-N 2 0 336.483 3.136 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC001159786284 1381899221 /nfs/dbraw/zinc/89/92/21/1381899221.db2.gz XQLYPWYSPJJODX-KRWDZBQOSA-N 2 0 333.439 3.246 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001159786846 1381900546 /nfs/dbraw/zinc/90/05/46/1381900546.db2.gz LKBCNOJPNCDWLW-AWEZNQCLSA-N 2 0 347.875 3.447 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001159902226 1381932691 /nfs/dbraw/zinc/93/26/91/1381932691.db2.gz VCTWXCXWWALAQL-OJWOGGGRSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909170 1381933941 /nfs/dbraw/zinc/93/39/41/1381933941.db2.gz KNJYURHVFNROBU-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001159909245 1381934022 /nfs/dbraw/zinc/93/40/22/1381934022.db2.gz MCCHRHAGVPKJSJ-QUCCMNQESA-N 2 0 345.531 3.415 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001159909246 1381934545 /nfs/dbraw/zinc/93/45/45/1381934545.db2.gz MCCHRHAGVPKJSJ-UYAOXDASSA-N 2 0 345.531 3.415 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[NH+](CC)CC)cc1 ZINC001160110325 1382000299 /nfs/dbraw/zinc/00/02/99/1382000299.db2.gz AIOBUSMFJSGYSN-UXHICEINSA-N 2 0 345.531 3.232 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120309 1382003505 /nfs/dbraw/zinc/00/35/05/1382003505.db2.gz LLMWZHRIKJZUAO-HKUYNNGSSA-N 2 0 335.536 3.044 20 0 EGADRP c1ccc(OCC2CC[NH2+]CC2)c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001160188286 1382028218 /nfs/dbraw/zinc/02/82/18/1382028218.db2.gz TZCJDMZQLOCGQL-UHFFFAOYSA-N 2 0 337.467 3.454 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001160275010 1382057897 /nfs/dbraw/zinc/05/78/97/1382057897.db2.gz YPKGOYYDWFYLSY-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001160285576 1382061427 /nfs/dbraw/zinc/06/14/27/1382061427.db2.gz IGQIAIOLOSPGGA-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CC1(C)C[NH2+]Cc2cc(Nc3cccc(N4CC[NH2+]CC4)c3)ccc21 ZINC001160287000 1382061911 /nfs/dbraw/zinc/06/19/11/1382061911.db2.gz WPYGJNIODFFLSI-UHFFFAOYSA-N 2 0 336.483 3.221 20 0 EGADRP c1ccc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c(CN2CC[NH2+]CC2)c1 ZINC001160298802 1382066224 /nfs/dbraw/zinc/06/62/24/1382066224.db2.gz JDNXNJOGYNHLGT-FQEVSTJZSA-N 2 0 336.483 3.260 20 0 EGADRP C[N@H+](CC(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1)C1CCC1 ZINC001160379109 1382088212 /nfs/dbraw/zinc/08/82/12/1382088212.db2.gz BTFUMLNQEUKJQG-UHFFFAOYSA-N 2 0 345.531 3.110 20 0 EGADRP CCCCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160427597 1382101052 /nfs/dbraw/zinc/10/10/52/1382101052.db2.gz AUGKTDFRCKQWGI-IBGZPJMESA-N 2 0 333.520 3.311 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467449 1382114645 /nfs/dbraw/zinc/11/46/45/1382114645.db2.gz STZQJFHFHUWRSP-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001292098203 1382169780 /nfs/dbraw/zinc/16/97/80/1382169780.db2.gz PQNZJZNGIAGJBZ-CALCHBBNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(C)C)c1 ZINC001292582074 1382204268 /nfs/dbraw/zinc/20/42/68/1382204268.db2.gz IHHZWVNEKVWKTQ-FQEVSTJZSA-N 2 0 345.531 3.298 20 0 EGADRP CC(C)c1ccc([C@@H](C)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC001160818135 1382208724 /nfs/dbraw/zinc/20/87/24/1382208724.db2.gz WVWLEFCCAFGIJS-SFHVURJKSA-N 2 0 347.547 3.255 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160857303 1382218172 /nfs/dbraw/zinc/21/81/72/1382218172.db2.gz ZPDQPANJVAJUBR-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](CC=C(C)C)CC2)C1 ZINC001160985508 1382261797 /nfs/dbraw/zinc/26/17/97/1382261797.db2.gz FLWGZXSCENXQIN-FQEVSTJZSA-N 2 0 347.547 3.213 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133763 1382312810 /nfs/dbraw/zinc/31/28/10/1382312810.db2.gz PMHWJJBTAFURPG-IHHMQQGQSA-N 2 0 335.536 3.067 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001161230933 1382349765 /nfs/dbraw/zinc/34/97/65/1382349765.db2.gz NJHRDVUPFYVXGH-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161230707 1382349927 /nfs/dbraw/zinc/34/99/27/1382349927.db2.gz HFVDVDSBSIHJRH-QWUACUGRSA-N 2 0 335.536 3.211 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001161244720 1382353329 /nfs/dbraw/zinc/35/33/29/1382353329.db2.gz BTFTVKGSJZZDBI-CQSZACIVSA-N 2 0 339.911 3.227 20 0 EGADRP Cc1ccc(CN(C(=O)[C@@H]([NH3+])CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161399888 1382399825 /nfs/dbraw/zinc/39/98/25/1382399825.db2.gz HAZRFNXRBFJVKJ-UFYCRDLUSA-N 2 0 343.515 3.111 20 0 EGADRP Cc1ccc(CN(C(=O)C[C@H]2CCCC[NH2+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161400669 1382400011 /nfs/dbraw/zinc/40/00/11/1382400011.db2.gz NRAGMMYVGRTXAX-VAMGGRTRSA-N 2 0 343.515 3.126 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001161505028 1382425424 /nfs/dbraw/zinc/42/54/24/1382425424.db2.gz YYYDIPGRAAGRQT-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161518641 1382428781 /nfs/dbraw/zinc/42/87/81/1382428781.db2.gz KYDCXEIITXLBFZ-FPLPWBNLSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]C/C=C\c2ccccc2)ccc2c[nH+]cn21 ZINC001161559024 1382439477 /nfs/dbraw/zinc/43/94/77/1382439477.db2.gz UUOYOSKNAVVKTR-UITAMQMPSA-N 2 0 348.450 3.066 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001161644924 1382468119 /nfs/dbraw/zinc/46/81/19/1382468119.db2.gz VGEFNONLXPQPLQ-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001161649285 1382470566 /nfs/dbraw/zinc/47/05/66/1382470566.db2.gz AXZIJWJEWZZRBL-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161650565 1382471377 /nfs/dbraw/zinc/47/13/77/1382471377.db2.gz IMPXJBKVKGQKPA-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001294614230 1382479934 /nfs/dbraw/zinc/47/99/34/1382479934.db2.gz KAERTDLMJIRLIU-UYAOXDASSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688995 1382481788 /nfs/dbraw/zinc/48/17/88/1382481788.db2.gz SUCXOVISOZAOAV-OAQYLSRUSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161705505 1382485644 /nfs/dbraw/zinc/48/56/44/1382485644.db2.gz ULVDJBZJQLHKTE-UYAOXDASSA-N 2 0 349.563 3.149 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161750075 1382494637 /nfs/dbraw/zinc/49/46/37/1382494637.db2.gz VOKMLYLIDBYIGK-UHFFFAOYSA-N 2 0 337.552 3.437 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001161863622 1382533936 /nfs/dbraw/zinc/53/39/36/1382533936.db2.gz MAXVGBMAPADEFP-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001161953604 1382568495 /nfs/dbraw/zinc/56/84/95/1382568495.db2.gz XFQXTROVZLWTAC-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP COc1cccc(CC2([NH3+])CCN(c3cc(C)cc(C)[nH+]3)CC2)c1 ZINC001162044797 1382613242 /nfs/dbraw/zinc/61/32/42/1382613242.db2.gz ALDJSBPILVWUDP-UHFFFAOYSA-N 2 0 325.456 3.247 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(NCCC[NH2+]CCCC[NH3+])nc1 ZINC001162294655 1382723725 /nfs/dbraw/zinc/72/37/25/1382723725.db2.gz QQNFYMOECSWMTF-IBGZPJMESA-N 3 0 347.551 3.149 20 0 EGADRP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162579037 1382797134 /nfs/dbraw/zinc/79/71/34/1382797134.db2.gz DCSZOXVDPQLWDL-SFHVURJKSA-N 2 0 336.455 3.268 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(NC[C@]2(F)CCCC[NH2+]C2)cc1 ZINC001162586460 1382799634 /nfs/dbraw/zinc/79/96/34/1382799634.db2.gz HAPKLKSVMGWRIO-AQNXPRMDSA-N 2 0 349.494 3.367 20 0 EGADRP [NH3+][C@H]1Cc2ccccc2N(c2cc(Br)cc3c[nH+]cn32)C1 ZINC001162854451 1382896580 /nfs/dbraw/zinc/89/65/80/1382896580.db2.gz UBNUPICNCPNCKW-ZDUSSCGKSA-N 2 0 343.228 3.118 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1c(Cl)ncc(Cl)c1Cl ZINC001163127081 1382971661 /nfs/dbraw/zinc/97/16/61/1382971661.db2.gz ZUSZQZQPTAOKLL-UHFFFAOYSA-N 2 0 338.670 3.320 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CCCC(C)(C)C)CCCC1 ZINC001163290887 1383014092 /nfs/dbraw/zinc/01/40/92/1383014092.db2.gz SPPYTKREGAVJFT-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP c1cn(-c2cc[nH+]c(NC3CC[NH+](C[C@@H]4CC=CCC4)CC3)c2)cn1 ZINC001163322531 1383021858 /nfs/dbraw/zinc/02/18/58/1383021858.db2.gz WDACORUYAFLPEU-QGZVFWFLSA-N 2 0 337.471 3.500 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)cc21 ZINC001163328039 1383023245 /nfs/dbraw/zinc/02/32/45/1383023245.db2.gz NZPJQGDUMMMYLD-YLJYHZDGSA-N 2 0 327.472 3.011 20 0 EGADRP Cc1c(C)n(-c2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)c2ccc(C[NH3+])cc12 ZINC001163756547 1383118421 /nfs/dbraw/zinc/11/84/21/1383118421.db2.gz GVLKMSVNAZGEGX-QGZVFWFLSA-N 2 0 349.482 3.271 20 0 EGADRP Cc1c(C)n(-c2cccc(CN3CC[C@@H]([NH3+])C3)c2)c2ccc(C[NH3+])cc12 ZINC001163761664 1383119170 /nfs/dbraw/zinc/11/91/70/1383119170.db2.gz JNAOXGOBEKDARX-LJQANCHMSA-N 2 0 348.494 3.239 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001163851145 1383129410 /nfs/dbraw/zinc/12/94/10/1383129410.db2.gz HLBRKIHWFOVLTB-QGZVFWFLSA-N 2 0 331.504 3.026 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001163851296 1383129497 /nfs/dbraw/zinc/12/94/97/1383129497.db2.gz JSWUAHIKVCWBNN-GOSISDBHSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@H]1CCN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CCC1(F)F ZINC001164117699 1383157927 /nfs/dbraw/zinc/15/79/27/1383157927.db2.gz HXMQLHIPIDTPSF-AWEZNQCLSA-N 2 0 339.430 3.426 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001164456376 1383188716 /nfs/dbraw/zinc/18/87/16/1383188716.db2.gz QQMGQDIONIJQSH-QUCCMNQESA-N 2 0 345.531 3.274 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4[nH+]ccc5c4CCN5)[C@H]3C2)cc1 ZINC001164487475 1383192184 /nfs/dbraw/zinc/19/21/84/1383192184.db2.gz VJZKLTFEGVNUJX-QRFRQXIXSA-N 2 0 334.467 3.372 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CCC2CCCCCC2)CC[N@@H+]1C ZINC001164574441 1383200403 /nfs/dbraw/zinc/20/04/03/1383200403.db2.gz MAKBEIYVFMCABT-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)CC[N@@H+]1C ZINC001164582302 1383202246 /nfs/dbraw/zinc/20/22/46/1383202246.db2.gz GTXXUSOAOHGGKP-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNc2nc3cc(Br)ccc3[nH]2)C1 ZINC001165279575 1383264762 /nfs/dbraw/zinc/26/47/62/1383264762.db2.gz WEYRQTOEZGAWHB-LLVKDONJSA-N 2 0 337.265 3.469 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001165334662 1383276160 /nfs/dbraw/zinc/27/61/60/1383276160.db2.gz ZNCIHNLXHNAYMY-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001165360848 1383281727 /nfs/dbraw/zinc/28/17/27/1383281727.db2.gz UGYCEAWWDXPBQU-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473275 1383300316 /nfs/dbraw/zinc/30/03/16/1383300316.db2.gz ZGGPQGJJYGNUEE-SFFCAUCYSA-N 2 0 349.563 3.482 20 0 EGADRP O=C(NCCC1(C[NH2+]CCC2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001165485515 1383301373 /nfs/dbraw/zinc/30/13/73/1383301373.db2.gz YGXYPMVSNHABIN-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1)C1CC1 ZINC001165485502 1383302023 /nfs/dbraw/zinc/30/20/23/1383302023.db2.gz XWZGWQXKWSZCEX-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1)[NH+](C)C ZINC001165728087 1383334080 /nfs/dbraw/zinc/33/40/80/1383334080.db2.gz MXNWTGZTJBSHMX-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165736034 1383335174 /nfs/dbraw/zinc/33/51/74/1383335174.db2.gz GTJIHHFOIYNEMV-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926748 1383365985 /nfs/dbraw/zinc/36/59/85/1383365985.db2.gz BOZRYVBXTXSUAI-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1)[NH+](CC)CC ZINC001166440467 1383422655 /nfs/dbraw/zinc/42/26/55/1383422655.db2.gz WNHIFHMUZUGLTG-LJQANCHMSA-N 2 0 333.520 3.020 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+](CC)CC ZINC001166447706 1383423822 /nfs/dbraw/zinc/42/38/22/1383423822.db2.gz NQAWRCJQACNOCN-MAUKXSAKSA-N 2 0 337.483 3.103 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166895885 1383495905 /nfs/dbraw/zinc/49/59/05/1383495905.db2.gz FKXUZEYLFZLVTK-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)CC1 ZINC001166979069 1383508649 /nfs/dbraw/zinc/50/86/49/1383508649.db2.gz KCOMHWWYVIPESX-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CCC(C)C)CC1)[NH+](CC)CC ZINC001167179654 1383559469 /nfs/dbraw/zinc/55/94/69/1383559469.db2.gz NWDPGQPAFMPLJP-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CCC(C)C)CC1)[NH+](CC)CC ZINC001167179655 1383559490 /nfs/dbraw/zinc/55/94/90/1383559490.db2.gz NWDPGQPAFMPLJP-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167815391 1383746936 /nfs/dbraw/zinc/74/69/36/1383746936.db2.gz SSNLNIBMLMYZKW-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001167823755 1383749622 /nfs/dbraw/zinc/74/96/22/1383749622.db2.gz MEFZXATUOVOWKN-HLAWJBBLSA-N 2 0 344.547 3.241 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001167825383 1383750250 /nfs/dbraw/zinc/75/02/50/1383750250.db2.gz JZASJEVNVTXCBH-OTWHNJEPSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001167835585 1383754284 /nfs/dbraw/zinc/75/42/84/1383754284.db2.gz ITIFEPRIVCYTMY-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2nccc(C)n2)C1 ZINC001167836426 1383754767 /nfs/dbraw/zinc/75/47/67/1383754767.db2.gz ZWIUWMXPCZSJHF-ZWKOTPCHSA-N 2 0 334.508 3.139 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1cc2ccccc2cc1Br ZINC001167877818 1383763615 /nfs/dbraw/zinc/76/36/15/1383763615.db2.gz FDCLPHYLDNFTEX-UHFFFAOYSA-N 2 0 335.249 3.277 20 0 EGADRP CCc1c(Cl)nc(-c2ccccc2)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001167880401 1383764721 /nfs/dbraw/zinc/76/47/21/1383764721.db2.gz LBSGICBQKMDJQB-UHFFFAOYSA-N 2 0 346.866 3.035 20 0 EGADRP OC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965903 1383781259 /nfs/dbraw/zinc/78/12/59/1383781259.db2.gz PTMXGTJHZMDIRC-SEBOWIOWSA-N 2 0 348.918 3.238 20 0 EGADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(N1CCC([NH+]3CCCCC3)CC1)C2 ZINC001167981897 1383786286 /nfs/dbraw/zinc/78/62/86/1383786286.db2.gz OQKITKSHJCBTLZ-WCRBZPEASA-N 2 0 331.548 3.342 20 0 EGADRP COC(=O)CC[N@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995658 1383791348 /nfs/dbraw/zinc/79/13/48/1383791348.db2.gz NDDNNCXIEJULHT-DFNIBXOVSA-N 2 0 334.504 3.200 20 0 EGADRP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995831 1383792246 /nfs/dbraw/zinc/79/22/46/1383792246.db2.gz RIGSZGILZNTIMJ-HRBLRVMOSA-N 2 0 334.504 3.055 20 0 EGADRP CC(C)(C)C(=O)NC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002795 1383792557 /nfs/dbraw/zinc/79/25/57/1383792557.db2.gz YICLZOWOUFMOMM-DFNIBXOVSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@@H]1CC([NH2+]CCCN2CCCC2=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006209 1383795086 /nfs/dbraw/zinc/79/50/86/1383795086.db2.gz MOEOLTZYMTWROR-QZTJIDSGSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]1CC([NH2+]CCCn2ccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005441 1383795253 /nfs/dbraw/zinc/79/52/53/1383795253.db2.gz ITSDBTDKVBKIBW-ROUUACIJSA-N 2 0 326.488 3.304 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCCCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009284 1383795715 /nfs/dbraw/zinc/79/57/15/1383795715.db2.gz ZTJCVNVGBHJWAA-OPVJXMOQSA-N 2 0 331.504 3.045 20 0 EGADRP C[C@@H]1CC([NH2+]C2(CO)CCSCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168030230 1383800053 /nfs/dbraw/zinc/80/00/53/1383800053.db2.gz VDEPQIBGMRNPDA-IAGOWNOFSA-N 2 0 348.556 3.276 20 0 EGADRP CC(C)[NH+]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039689 1383802433 /nfs/dbraw/zinc/80/24/33/1383802433.db2.gz HFAUTGWWZRIZNV-OALUTQOASA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C2CC[NH+](C)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040225 1383803321 /nfs/dbraw/zinc/80/33/21/1383803321.db2.gz LIPZYIVMWUNGBY-RMFSNUHRSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@H]1CC(N2CC[NH+](CC3CC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051084 1383804288 /nfs/dbraw/zinc/80/42/88/1383804288.db2.gz FYRMETJTNNXODC-OALUTQOASA-N 2 0 341.543 3.456 20 0 EGADRP C[C@H]1CC([N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065506 1383808560 /nfs/dbraw/zinc/80/85/60/1383808560.db2.gz XBIHDERHJMHLTD-MEZWHVQBSA-N 2 0 327.516 3.064 20 0 EGADRP C[C@@H]1C[C@@H](n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)CCO1 ZINC001168087619 1383814068 /nfs/dbraw/zinc/81/40/68/1383814068.db2.gz MEDBSAQHKAJYER-APWZRJJASA-N 2 0 341.499 3.347 20 0 EGADRP CC1CC(C[NH2+]CC2(CCNC(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001168197848 1383841847 /nfs/dbraw/zinc/84/18/47/1383841847.db2.gz BQOJWERCKGLICW-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168290901 1383865078 /nfs/dbraw/zinc/86/50/78/1383865078.db2.gz NNJITCQOSLLCLJ-ARHOITHKSA-N 2 0 349.563 3.482 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC2(c3ccccc3F)CCOCC2)CC1 ZINC001168294985 1383865743 /nfs/dbraw/zinc/86/57/43/1383865743.db2.gz MGLDUNDHQKXLHP-UHFFFAOYSA-N 2 0 334.479 3.336 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168297391 1383866832 /nfs/dbraw/zinc/86/68/32/1383866832.db2.gz PNHWUXWDMPNQHH-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168297392 1383866946 /nfs/dbraw/zinc/86/69/46/1383866946.db2.gz PNHWUXWDMPNQHH-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)C1CCC(Nc2c(Br)cccc2C[NH3+])CC1 ZINC001168312029 1383870614 /nfs/dbraw/zinc/87/06/14/1383870614.db2.gz HOSBSIVKMWHHQH-UHFFFAOYSA-N 2 0 326.282 3.193 20 0 EGADRP COc1ccccc1O[C@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323266 1383872516 /nfs/dbraw/zinc/87/25/16/1383872516.db2.gz XABUWBWVXNVHMO-ABHNRTSZSA-N 2 0 332.488 3.411 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168326658 1383873396 /nfs/dbraw/zinc/87/33/96/1383873396.db2.gz BREDOKQBTNSWGB-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC([NH+](C)C)CC1 ZINC001168327872 1383874439 /nfs/dbraw/zinc/87/44/39/1383874439.db2.gz RSJPHNIOICPTAX-JCYILVPMSA-N 2 0 339.524 3.191 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001168331087 1383875036 /nfs/dbraw/zinc/87/50/36/1383875036.db2.gz YREKCYZQSHXWME-HDYDNRTBSA-N 2 0 344.499 3.315 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001168335670 1383876319 /nfs/dbraw/zinc/87/63/19/1383876319.db2.gz PAPLBQKYBHLGLT-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP Fc1ccccc1C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC001168353938 1383879940 /nfs/dbraw/zinc/87/99/40/1383879940.db2.gz WVLOVOCOSSGDAN-UHFFFAOYSA-N 2 0 346.490 3.338 20 0 EGADRP C1=CC[C@@H](C[NH+]2CCC(NC3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001168371980 1383887312 /nfs/dbraw/zinc/88/73/12/1383887312.db2.gz RECMADRRPDEVDH-GOSISDBHSA-N 2 0 331.548 3.271 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCN(C4CC[NH+](CC5CC5)CC4)[C@@H]3C2)cc1 ZINC001168394802 1383894643 /nfs/dbraw/zinc/89/46/43/1383894643.db2.gz HQBJPJAHTYYDDS-RBBKRZOGSA-N 2 0 339.527 3.067 20 0 EGADRP Cc1cc(C[NH2+]CCCNC(=O)c2ccc(C[NH+](C)C)cc2)cs1 ZINC001168434270 1383905009 /nfs/dbraw/zinc/90/50/09/1383905009.db2.gz OKEQZADZZYVXOC-UHFFFAOYSA-N 2 0 345.512 3.028 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442951 1383906628 /nfs/dbraw/zinc/90/66/28/1383906628.db2.gz XYFUGHQPGRTJJT-SFTDATJTSA-N 2 0 346.490 3.258 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001168470047 1383914925 /nfs/dbraw/zinc/91/49/25/1383914925.db2.gz WHLGHQZCKCJFQJ-MRXNPFEDSA-N 2 0 334.479 3.237 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1C ZINC001168594837 1383944263 /nfs/dbraw/zinc/94/42/63/1383944263.db2.gz BEPMKEIUERNWMZ-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+]C3CCC(CC[NH3+])CC3)CCO2)cc1 ZINC001168614876 1383949422 /nfs/dbraw/zinc/94/94/22/1383949422.db2.gz MFPTZFSWNFMEQI-CCWWBTDTSA-N 2 0 332.488 3.413 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)C(C)C ZINC001168667394 1383964870 /nfs/dbraw/zinc/96/48/70/1383964870.db2.gz UFOHLVZTKNUQLF-HKFHZZIHSA-N 2 0 345.531 3.162 20 0 EGADRP COC(=O)C1(C)CCC(N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)CC1 ZINC001168796633 1384008870 /nfs/dbraw/zinc/00/88/70/1384008870.db2.gz MJTFFCWKZIGWQF-UHFFFAOYSA-N 2 0 345.487 3.070 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CN1C(=O)OC(C)(C)C ZINC001168805401 1384012546 /nfs/dbraw/zinc/01/25/46/1384012546.db2.gz HBZKPAYETVSZBC-WBVHZDCISA-N 2 0 339.524 3.368 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168806271 1384013395 /nfs/dbraw/zinc/01/33/95/1384013395.db2.gz KTIOMMOYOULHJH-JKSUJKDBSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168820608 1384018550 /nfs/dbraw/zinc/01/85/50/1384018550.db2.gz ZFYMNYCXUQKEFR-IRXDYDNUSA-N 2 0 339.524 3.240 20 0 EGADRP CCO[C@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001308129721 1384098311 /nfs/dbraw/zinc/09/83/11/1384098311.db2.gz UOQANIKOYJGSPG-NRFANRHFSA-N 2 0 330.516 3.442 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001169081238 1384104142 /nfs/dbraw/zinc/10/41/42/1384104142.db2.gz WYKDRSISQPAXLA-OAQYLSRUSA-N 2 0 331.548 3.213 20 0 EGADRP COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091741 1384105166 /nfs/dbraw/zinc/10/51/66/1384105166.db2.gz USUMMJDDLPIJPJ-SIXLDLHFSA-N 2 0 327.472 3.337 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001169100116 1384107334 /nfs/dbraw/zinc/10/73/34/1384107334.db2.gz GOERJAHMKBRGNU-QKDCVEJESA-N 2 0 328.378 3.343 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001169120185 1384109698 /nfs/dbraw/zinc/10/96/98/1384109698.db2.gz ZFFBJHLGZGWBHP-LDLYASANSA-N 2 0 332.463 3.132 20 0 EGADRP C[NH+](C)C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125233 1384110146 /nfs/dbraw/zinc/11/01/46/1384110146.db2.gz WTIHCIAAVIWWQB-RROAVTMRSA-N 2 0 345.575 3.348 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131803 1384111244 /nfs/dbraw/zinc/11/12/44/1384111244.db2.gz ZOUUMCKENKCPBA-FVQHAEBGSA-N 2 0 349.519 3.087 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145565 1384114524 /nfs/dbraw/zinc/11/45/24/1384114524.db2.gz MZOHVQKTWCNSRD-CIAFKFPVSA-N 2 0 339.527 3.210 20 0 EGADRP COc1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169147641 1384114879 /nfs/dbraw/zinc/11/48/79/1384114879.db2.gz VKIVJNNTAXAZJA-BJWYYQGGSA-N 2 0 330.472 3.164 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(CCC[NH+]3Cc3ccccc3)C1)C2 ZINC001169156417 1384116850 /nfs/dbraw/zinc/11/68/50/1384116850.db2.gz XQPXHVVKWBOOOB-CLAROIROSA-N 2 0 339.527 3.352 20 0 EGADRP Cc1ccc2ncc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n2c1 ZINC001308368620 1384122388 /nfs/dbraw/zinc/12/23/88/1384122388.db2.gz YRACMMCQHOAQGJ-SJORKVTESA-N 2 0 326.488 3.385 20 0 EGADRP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001308971196 1384163034 /nfs/dbraw/zinc/16/30/34/1384163034.db2.gz GARNERCIZXXOPK-GPJFCIFZSA-N 2 0 348.918 3.430 20 0 EGADRP C[NH+](C)CCC(C)(C)Nc1c[nH+]c2cccc(Br)n12 ZINC001169717569 1384177836 /nfs/dbraw/zinc/17/78/36/1384177836.db2.gz CSTMTWKPOBHVFH-UHFFFAOYSA-N 2 0 325.254 3.239 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169810059 1384187901 /nfs/dbraw/zinc/18/79/01/1384187901.db2.gz NYQAFPYQBMGELP-FXAWDEMLSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170011330 1384217973 /nfs/dbraw/zinc/21/79/73/1384217973.db2.gz OJTYLWWZAQMURW-UHFFFAOYSA-N 2 0 346.519 3.359 20 0 EGADRP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001170138897 1384245631 /nfs/dbraw/zinc/24/56/31/1384245631.db2.gz SOBLJEYXLAXJKZ-MYGYKHERSA-N 2 0 342.531 3.247 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769257 1384382618 /nfs/dbraw/zinc/38/26/18/1384382618.db2.gz GNBXSIQMLLMRFI-SJORKVTESA-N 2 0 343.531 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001170784817 1384384420 /nfs/dbraw/zinc/38/44/20/1384384420.db2.gz LKJJBBAIHMERME-IBGZPJMESA-N 2 0 349.494 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001170784558 1384384748 /nfs/dbraw/zinc/38/47/48/1384384748.db2.gz ICUXYAPVUDRKKG-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820059 1384391217 /nfs/dbraw/zinc/39/12/17/1384391217.db2.gz WGAAEDORODQPEK-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861332 1384400741 /nfs/dbraw/zinc/40/07/41/1384400741.db2.gz COWFVWACECCFTO-RCCFBDPRSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014536 1384430150 /nfs/dbraw/zinc/43/01/50/1384430150.db2.gz ZRKYWTIITPLIKT-KRWDZBQOSA-N 2 0 325.431 3.209 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171069295 1384440779 /nfs/dbraw/zinc/44/07/79/1384440779.db2.gz NXUSEBOKMBALJA-VTFYZGIISA-N 2 0 343.531 3.287 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171117817 1384449186 /nfs/dbraw/zinc/44/91/86/1384449186.db2.gz YYPXPTHEPTVZPT-HXUWFJFHSA-N 2 0 349.950 3.157 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171120987 1384449723 /nfs/dbraw/zinc/44/97/23/1384449723.db2.gz QTTQKAPXVXECSF-HMTUNPETSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001171160568 1384457548 /nfs/dbraw/zinc/45/75/48/1384457548.db2.gz GXGQIEFWWJTNEC-PMACEKPBSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235236 1384476026 /nfs/dbraw/zinc/47/60/26/1384476026.db2.gz GKBKYPKWXIZACY-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247663 1384477672 /nfs/dbraw/zinc/47/76/72/1384477672.db2.gz NAKJZMHGTJJJFG-APWZRJJASA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246987 1384477701 /nfs/dbraw/zinc/47/77/01/1384477701.db2.gz JEMNCGCREIEHKH-DOTOQJQBSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCF)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248058 1384477982 /nfs/dbraw/zinc/47/79/82/1384477982.db2.gz QIOKEDFLSDTTHF-FUHWJXTLSA-N 2 0 341.515 3.018 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248910 1384478241 /nfs/dbraw/zinc/47/82/41/1384478241.db2.gz YKKPTSIDXOSCMF-PXNSSMCTSA-N 2 0 349.563 3.482 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001316616423 1384483618 /nfs/dbraw/zinc/48/36/18/1384483618.db2.gz MUOBSCNYMFZWJQ-JENIJYKNSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367027 1384503200 /nfs/dbraw/zinc/50/32/00/1384503200.db2.gz HAVVYPGTXMOWAX-MSOLQXFVSA-N 2 0 327.557 3.273 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001171537423 1384555747 /nfs/dbraw/zinc/55/57/47/1384555747.db2.gz CEUCDYQAJYIZNZ-QUCCMNQESA-N 2 0 345.531 3.244 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541680 1384557037 /nfs/dbraw/zinc/55/70/37/1384557037.db2.gz KNBQFTABDPRSQJ-CQSZACIVSA-N 2 0 326.406 3.379 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@@H]2C1 ZINC001171546201 1384558956 /nfs/dbraw/zinc/55/89/56/1384558956.db2.gz HAXRBERYHRWLDF-QLFBSQMISA-N 2 0 338.417 3.235 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001171585246 1384572164 /nfs/dbraw/zinc/57/21/64/1384572164.db2.gz NVPRKXXCGSQLDU-OAHLLOKOSA-N 2 0 339.911 3.229 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@H]1C(C)(C)C ZINC001171601715 1384576541 /nfs/dbraw/zinc/57/65/41/1384576541.db2.gz KYHWAYVMGUOAMW-JONQDZQNSA-N 2 0 339.524 3.270 20 0 EGADRP COc1ccc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1OC ZINC001171613310 1384580499 /nfs/dbraw/zinc/58/04/99/1384580499.db2.gz IRMXYRKZCSSBEZ-UHFFFAOYSA-N 2 0 334.504 3.487 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171617939 1384581224 /nfs/dbraw/zinc/58/12/24/1384581224.db2.gz CITHBICDOBJBLV-GOSISDBHSA-N 2 0 348.535 3.363 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631392 1384586258 /nfs/dbraw/zinc/58/62/58/1384586258.db2.gz HYOKBTVZNWOIFQ-AWEZNQCLSA-N 2 0 339.524 3.237 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(-n3ccnn3)cc2)CC1(C)C ZINC001171630344 1384586293 /nfs/dbraw/zinc/58/62/93/1384586293.db2.gz NCXCVTUXQMJOBE-UHFFFAOYSA-N 2 0 327.476 3.008 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646289 1384591220 /nfs/dbraw/zinc/59/12/20/1384591220.db2.gz LDFWKAPWVXMVMB-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683970 1384601490 /nfs/dbraw/zinc/60/14/90/1384601490.db2.gz QVUHBCNCLYKYAG-AQFXKWCLSA-N 2 0 342.487 3.259 20 0 EGADRP C[C@H]1C[C@H](n2c3ccccc3nc2CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171724930 1384613873 /nfs/dbraw/zinc/61/38/73/1384613873.db2.gz FHRLQGFVTOWNKW-WMZOPIPTSA-N 2 0 334.467 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001171725043 1384614381 /nfs/dbraw/zinc/61/43/81/1384614381.db2.gz FISWYWBFVNLIKF-UHFFFAOYSA-N 2 0 341.499 3.168 20 0 EGADRP C[C@H]1C[C@H](N2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171755014 1384625559 /nfs/dbraw/zinc/62/55/59/1384625559.db2.gz LCGGDRWKCNWTQW-RXVVDRJESA-N 2 0 327.516 3.210 20 0 EGADRP C[C@@H]1C[C@H](N2CC[NH+](C)CC23CCCC3)C[N@@H+]1Cc1ccccc1 ZINC001171767545 1384630025 /nfs/dbraw/zinc/63/00/25/1384630025.db2.gz PAUDEAYFKGRAQD-QUCCMNQESA-N 2 0 327.516 3.210 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001171788199 1384637470 /nfs/dbraw/zinc/63/74/70/1384637470.db2.gz YXVNBNWNXHYCHU-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969203 1384698713 /nfs/dbraw/zinc/69/87/13/1384698713.db2.gz UJMIUHPKWRTCRR-WOJBJXKFSA-N 2 0 329.532 3.361 20 0 EGADRP CN1CC2(C1)CC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987134 1384705868 /nfs/dbraw/zinc/70/58/68/1384705868.db2.gz PFOFVFWQEXUHKG-LJQANCHMSA-N 2 0 327.516 3.067 20 0 EGADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989241 1384705887 /nfs/dbraw/zinc/70/58/87/1384705887.db2.gz BEBHWMXGXRAHPJ-UFYCRDLUSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[N@H+]1C ZINC001171988121 1384706136 /nfs/dbraw/zinc/70/61/36/1384706136.db2.gz OTEMUSSCSQEGHO-WSTZPKSXSA-N 2 0 329.532 3.454 20 0 EGADRP CCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989121 1384706160 /nfs/dbraw/zinc/70/61/60/1384706160.db2.gz YGDKIEKWQBDSBA-GOSISDBHSA-N 2 0 332.488 3.315 20 0 EGADRP CN([C@H]1CC[N@H+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074545 1384720434 /nfs/dbraw/zinc/72/04/34/1384720434.db2.gz JEIPQTZRCGRNPM-JSXRDJHFSA-N 2 0 327.516 3.208 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001335806665 1388939870 /nfs/dbraw/zinc/93/98/70/1388939870.db2.gz NVJYPEOPHJBRQP-CTWPCTMYSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001172086331 1384723353 /nfs/dbraw/zinc/72/33/53/1384723353.db2.gz BADQCCLHDFQCDL-QUSNUVHPSA-N 2 0 337.508 3.167 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001316957625 1384728395 /nfs/dbraw/zinc/72/83/95/1384728395.db2.gz ZYYHFFKYGIHREP-IBGZPJMESA-N 2 0 345.531 3.034 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117521 1384732381 /nfs/dbraw/zinc/73/23/81/1384732381.db2.gz HLIIAQNITWTFNV-ADHGMGHFSA-N 2 0 349.519 3.085 20 0 EGADRP COc1ccccc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121751 1384734965 /nfs/dbraw/zinc/73/49/65/1384734965.db2.gz LXBUEWHJIQDWHR-XMTFNYHQSA-N 2 0 330.472 3.164 20 0 EGADRP [NH3+]C1(Cc2ccccc2Cl)CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172221674 1384750916 /nfs/dbraw/zinc/75/09/16/1384750916.db2.gz ABMACUGUOFWTTO-ALOPSCKCSA-N 2 0 334.891 3.386 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCCOc2ccc(Cl)cc2)CC1 ZINC001172243783 1384754841 /nfs/dbraw/zinc/75/48/41/1384754841.db2.gz HRBPOJCZCKAJPN-UHFFFAOYSA-N 2 0 340.895 3.199 20 0 EGADRP COCCCN1CCC([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172249245 1384755556 /nfs/dbraw/zinc/75/55/56/1384755556.db2.gz ZMQACNSTQGRSMG-IYARVYRRSA-N 2 0 339.568 3.105 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(Cc3ccccc3F)CC2)CC1 ZINC001172248468 1384755714 /nfs/dbraw/zinc/75/57/14/1384755714.db2.gz JHBMTNUQJLUNAA-UHFFFAOYSA-N 2 0 334.479 3.239 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001172319878 1384769061 /nfs/dbraw/zinc/76/90/61/1384769061.db2.gz UKCLEJXIGFGXDY-QZTJIDSGSA-N 2 0 333.520 3.122 20 0 EGADRP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C[C@@H]1C ZINC001172374923 1384780004 /nfs/dbraw/zinc/78/00/04/1384780004.db2.gz QFBZLEHNQIBLJC-LXDWIVHCSA-N 2 0 334.548 3.491 20 0 EGADRP COc1cccc(CC2([NH3+])CC[NH+]([C@@H](C)CCOC(C)C)CC2)c1 ZINC001172438036 1384791666 /nfs/dbraw/zinc/79/16/66/1384791666.db2.gz ZZBPGAHHPJLENY-KRWDZBQOSA-N 2 0 334.504 3.235 20 0 EGADRP CC(C)COCC[C@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172475463 1384801443 /nfs/dbraw/zinc/80/14/43/1384801443.db2.gz JHLMYOUFUYUDAQ-KRWDZBQOSA-N 2 0 326.525 3.013 20 0 EGADRP COc1cc[nH+]c(N([C@H](C)CCOCC(C)C)C2CC[NH2+]CC2)c1 ZINC001172480601 1384802417 /nfs/dbraw/zinc/80/24/17/1384802417.db2.gz NVVOESVSZGHPNP-MRXNPFEDSA-N 2 0 335.492 3.100 20 0 EGADRP c1ccc([C@@H]2CCC[C@H]([NH2+]CC3CC[NH+](C4COC4)CC3)C2)cc1 ZINC001172547772 1384810408 /nfs/dbraw/zinc/81/04/08/1384810408.db2.gz YOEZRBBDWIIIJR-UXHICEINSA-N 2 0 328.500 3.413 20 0 EGADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001172579098 1384814843 /nfs/dbraw/zinc/81/48/43/1384814843.db2.gz VWWABIVMKDGWAV-RWMBFGLXSA-N 2 0 328.834 3.433 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172602106 1384816998 /nfs/dbraw/zinc/81/69/98/1384816998.db2.gz GNPDGGBYGJUORU-CADBVGFASA-N 2 0 336.520 3.480 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001172606727 1384818053 /nfs/dbraw/zinc/81/80/53/1384818053.db2.gz VGFXKWHJXLNUMW-RTBURBONSA-N 2 0 336.520 3.210 20 0 EGADRP CCCC[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172639774 1384825438 /nfs/dbraw/zinc/82/54/38/1384825438.db2.gz MZGGMYNEFGTOCP-JKSUJKDBSA-N 2 0 327.513 3.273 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172644320 1384826189 /nfs/dbraw/zinc/82/61/89/1384826189.db2.gz NPXUPBRZWGSVII-UHFFFAOYSA-N 2 0 345.531 3.264 20 0 EGADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172668453 1384830749 /nfs/dbraw/zinc/83/07/49/1384830749.db2.gz YKSONKNDGYFCOT-VAMGGRTRSA-N 2 0 343.515 3.158 20 0 EGADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001172847635 1384864520 /nfs/dbraw/zinc/86/45/20/1384864520.db2.gz MNQHQKSVTGWZKR-KGLIPLIRSA-N 2 0 340.870 3.253 20 0 EGADRP C[C@H](CSc1ccc(Cl)cc1)N1CC[NH+](CCCC[NH3+])CC1 ZINC001172874640 1384871155 /nfs/dbraw/zinc/87/11/55/1384871155.db2.gz ZZVWGPCHTKUNMV-OAHLLOKOSA-N 2 0 341.952 3.177 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001172960870 1384890565 /nfs/dbraw/zinc/89/05/65/1384890565.db2.gz YEMQPUGWYBAFNJ-AWEZNQCLSA-N 2 0 346.475 3.356 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172961043 1384891602 /nfs/dbraw/zinc/89/16/02/1384891602.db2.gz PACAVMFLRRNNOL-INIZCTEOSA-N 2 0 341.540 3.342 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172965211 1384892050 /nfs/dbraw/zinc/89/20/50/1384892050.db2.gz YZEYRARLXGMLNV-IAGOWNOFSA-N 2 0 341.540 3.473 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC001173039109 1384898465 /nfs/dbraw/zinc/89/84/65/1384898465.db2.gz CBKGAXJUSJZNJQ-UHFFFAOYSA-N 2 0 346.515 3.456 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCN(C(=O)c3ccco3)CC2)CC1 ZINC001173113694 1384917743 /nfs/dbraw/zinc/91/77/43/1384917743.db2.gz BXALUJRBGPORHV-UHFFFAOYSA-N 2 0 347.503 3.081 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC001173113263 1384917759 /nfs/dbraw/zinc/91/77/59/1384917759.db2.gz LYVNFHGFMMQCLL-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+](C)[C@@H](Cc2ccccc2)C(=O)OC)CC1 ZINC001173113189 1384917876 /nfs/dbraw/zinc/91/78/76/1384917876.db2.gz KUVVUWTZYPOIAN-MHJFOBGBSA-N 2 0 346.515 3.356 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3ccncc3C)C2)CC1 ZINC001173113253 1384917950 /nfs/dbraw/zinc/91/79/50/1384917950.db2.gz IRJMZKRFRBGZFQ-ACBHZAAOSA-N 2 0 331.504 3.496 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001173114202 1384918024 /nfs/dbraw/zinc/91/80/24/1384918024.db2.gz ZZOXMKZXVPPOHP-UHFFFAOYSA-N 3 0 330.520 3.165 20 0 EGADRP [NH3+]C1(Cc2ccccc2)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173127370 1384919697 /nfs/dbraw/zinc/91/96/97/1384919697.db2.gz YXNAECVVDYMGTB-MRXNPFEDSA-N 2 0 327.497 3.036 20 0 EGADRP CCC(CC)[NH+]1CCC([NH2+][C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001173149865 1384924247 /nfs/dbraw/zinc/92/42/47/1384924247.db2.gz JHSZGHKGCQJDTR-INIZCTEOSA-N 2 0 332.488 3.241 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317169307 1384934478 /nfs/dbraw/zinc/93/44/78/1384934478.db2.gz YSRPMLGATRGENE-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317177571 1384950991 /nfs/dbraw/zinc/95/09/91/1384950991.db2.gz IHXZMHPGFCEOSG-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(Br)ccc32)C1 ZINC001173352406 1384963900 /nfs/dbraw/zinc/96/39/00/1384963900.db2.gz LBEVLEPIONFUTD-AWEZNQCLSA-N 2 0 336.277 3.172 20 0 EGADRP CCN1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173365393 1384964821 /nfs/dbraw/zinc/96/48/21/1384964821.db2.gz HDNWEFQSTPGKOD-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]CC1CC[NH+](C3CCC3)CC1)CC2 ZINC001173605842 1384986233 /nfs/dbraw/zinc/98/62/33/1384986233.db2.gz HINUTOZPCKXNGJ-BIXGBWIQSA-N 2 0 348.531 3.353 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)C1 ZINC001173634702 1384993498 /nfs/dbraw/zinc/99/34/98/1384993498.db2.gz RBXIICIJCVHSHA-ZWKOTPCHSA-N 2 0 338.536 3.456 20 0 EGADRP CC(C)C[N@@H+](C1CCN(CC(F)(F)F)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173667471 1385000489 /nfs/dbraw/zinc/00/04/89/1385000489.db2.gz YAPNKXQSXNAFLE-SHTZXODSSA-N 2 0 335.458 3.241 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173671769 1385000636 /nfs/dbraw/zinc/00/06/36/1385000636.db2.gz MOGPPJRABWPEIP-UHFFFAOYSA-N 2 0 335.458 3.209 20 0 EGADRP C[C@@H]1CC([NH2+]C[C@H]2CCC[N@H+](C)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673472 1385000920 /nfs/dbraw/zinc/00/09/20/1385000920.db2.gz MMLMAYUDXURLNU-BZUAXINKSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]1CC([NH2+]CC[C@H]2CCC[N@@H+]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173674784 1385000951 /nfs/dbraw/zinc/00/09/51/1385000951.db2.gz FECAMBHRLUNVHB-BFYDXBDKSA-N 2 0 339.524 3.237 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H](CCC[NH3+])C2)cc1 ZINC001173719911 1385008574 /nfs/dbraw/zinc/00/85/74/1385008574.db2.gz JJFZGEIISHHJQW-AEFFLSMTSA-N 2 0 332.488 3.245 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC3CCC3)CC2)cc1 ZINC001173720698 1385009055 /nfs/dbraw/zinc/00/90/55/1385009055.db2.gz MCTHENZQAMYZGZ-INIZCTEOSA-N 2 0 344.499 3.258 20 0 EGADRP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173740393 1385012218 /nfs/dbraw/zinc/01/22/18/1385012218.db2.gz MIEHWASSEXHYJR-MSOLQXFVSA-N 2 0 336.528 3.039 20 0 EGADRP COc1ccc2[nH+]c(N)n(C3=CCC[N@H+](Cc4ccccc4)C3)c2c1 ZINC001174393371 1385104905 /nfs/dbraw/zinc/10/49/05/1385104905.db2.gz UUXSSMBTPFCRNP-UHFFFAOYSA-N 2 0 334.423 3.374 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650632 1385130275 /nfs/dbraw/zinc/13/02/75/1385130275.db2.gz RYWGUINUNXBGFP-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001174882598 1385164574 /nfs/dbraw/zinc/16/45/74/1385164574.db2.gz UPMGDIQVZVJGRI-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C)C1 ZINC001174882882 1385164808 /nfs/dbraw/zinc/16/48/08/1385164808.db2.gz XOPJIEBZRVMDCR-RTBURBONSA-N 2 0 337.552 3.339 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905150 1385168246 /nfs/dbraw/zinc/16/82/46/1385168246.db2.gz GILCMDBSRCYMRF-BZSNNMDCSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174927198 1385170765 /nfs/dbraw/zinc/17/07/65/1385170765.db2.gz BNNPSMQOODPXIS-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174950692 1385173748 /nfs/dbraw/zinc/17/37/48/1385173748.db2.gz YGTFWDSPGLHYKP-QZTJIDSGSA-N 2 0 327.557 3.275 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001175047738 1385186012 /nfs/dbraw/zinc/18/60/12/1385186012.db2.gz BBOOEZSPPJLKEA-HNNXBMFYSA-N 2 0 339.911 3.056 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)CC[NH+](C)C ZINC001175049879 1385186418 /nfs/dbraw/zinc/18/64/18/1385186418.db2.gz YYLMXGICPLFBMP-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175049878 1385186542 /nfs/dbraw/zinc/18/65/42/1385186542.db2.gz YRWINFPRMZBWHR-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175054736 1385186764 /nfs/dbraw/zinc/18/67/64/1385186764.db2.gz BEQLWNZTWAVGRZ-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001175056332 1385187143 /nfs/dbraw/zinc/18/71/43/1385187143.db2.gz MHOIUNYPCHDPFZ-HOTGVXAUSA-N 2 0 337.483 3.103 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317501155 1385202828 /nfs/dbraw/zinc/20/28/28/1385202828.db2.gz KDWXLORUNKDBTE-QLOJAFMTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256812 1385230876 /nfs/dbraw/zinc/23/08/76/1385230876.db2.gz PKLCSEORPUNUKC-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263677 1385233599 /nfs/dbraw/zinc/23/35/99/1385233599.db2.gz QIJWKUCTTOGYIF-DLBZAZTESA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263792 1385234355 /nfs/dbraw/zinc/23/43/55/1385234355.db2.gz RINFPEMZFSKPNO-ROUUACIJSA-N 2 0 349.563 3.173 20 0 EGADRP CCOc1cc(F)ccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001175290614 1385241560 /nfs/dbraw/zinc/24/15/60/1385241560.db2.gz BPSMLRHFNVDGAC-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175297269 1385242740 /nfs/dbraw/zinc/24/27/40/1385242740.db2.gz SLJFFTVHURAXOK-QGZVFWFLSA-N 2 0 327.557 3.275 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001175390561 1385272990 /nfs/dbraw/zinc/27/29/90/1385272990.db2.gz ZLLYWGMZYFWZCA-SXLOBPIMSA-N 2 0 345.531 3.006 20 0 EGADRP c1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC001175505805 1385314583 /nfs/dbraw/zinc/31/45/83/1385314583.db2.gz SGHHDDBZYCYFNT-UHFFFAOYSA-N 2 0 331.423 3.469 20 0 EGADRP C[C@@H](C(=O)NCC[N@H+](CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001317558140 1385330625 /nfs/dbraw/zinc/33/06/25/1385330625.db2.gz GERDNKBEFWLESO-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+]1CCN(c2ccc(-n3c(N)[nH+]c4c3cccc4C)cc2)CC1 ZINC001175779797 1385402698 /nfs/dbraw/zinc/40/26/98/1385402698.db2.gz XHDSRHAEUDPKSQ-UHFFFAOYSA-N 2 0 335.455 3.058 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176022667 1385463448 /nfs/dbraw/zinc/46/34/48/1385463448.db2.gz CKBXAGUTGHZATL-PXNSSMCTSA-N 2 0 345.531 3.280 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176024752 1385463959 /nfs/dbraw/zinc/46/39/59/1385463959.db2.gz ROJJMYDMWGIADC-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176111062 1385486256 /nfs/dbraw/zinc/48/62/56/1385486256.db2.gz FPWJMDXIFNHPSL-GHTZIAJQSA-N 2 0 347.547 3.384 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC ZINC001176112652 1385487848 /nfs/dbraw/zinc/48/78/48/1385487848.db2.gz XPZOZEKVNPVCHQ-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)c1ccccc1 ZINC001176120514 1385489936 /nfs/dbraw/zinc/48/99/36/1385489936.db2.gz RGHPIALKNHGUHE-YLJYHZDGSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001176165417 1385500665 /nfs/dbraw/zinc/50/06/65/1385500665.db2.gz KWCTVILLPNMQKQ-ICSRJNTNSA-N 2 0 345.531 3.101 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176257073 1385529458 /nfs/dbraw/zinc/52/94/58/1385529458.db2.gz FMTOZXYRCNRDNB-LJQANCHMSA-N 2 0 347.547 3.492 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176284403 1385538779 /nfs/dbraw/zinc/53/87/79/1385538779.db2.gz FXQUFPYBCGIHCI-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001317879440 1385558406 /nfs/dbraw/zinc/55/84/06/1385558406.db2.gz DPOTYNQGWXBHDF-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317973260 1385593501 /nfs/dbraw/zinc/59/35/01/1385593501.db2.gz SHLYTCGCBWRDHZ-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566213 1385627675 /nfs/dbraw/zinc/62/76/75/1385627675.db2.gz ZQEYBSHRKXFGSY-HKUYNNGSSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629363 1385643312 /nfs/dbraw/zinc/64/33/12/1385643312.db2.gz WAJPFLVBSBDVFX-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629362 1385643551 /nfs/dbraw/zinc/64/35/51/1385643551.db2.gz WAJPFLVBSBDVFX-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176754124 1385684463 /nfs/dbraw/zinc/68/44/63/1385684463.db2.gz RCGIGMIGONVQOJ-ATEOEAFZSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176857194 1385725384 /nfs/dbraw/zinc/72/53/84/1385725384.db2.gz RWYHAPQFRNPATD-IRXDYDNUSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176857654 1385725467 /nfs/dbraw/zinc/72/54/67/1385725467.db2.gz YACKYEKEKOBUIW-IRXDYDNUSA-N 2 0 343.515 3.033 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001176948129 1385751826 /nfs/dbraw/zinc/75/18/26/1385751826.db2.gz HHXAECJWXAKXTO-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C)c1ccccc1 ZINC001176947961 1385752111 /nfs/dbraw/zinc/75/21/11/1385752111.db2.gz AEJSABITONLDHH-KRWDZBQOSA-N 2 0 339.483 3.219 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001176987035 1385764978 /nfs/dbraw/zinc/76/49/78/1385764978.db2.gz ZZOCUEJIAGEYPE-KRWDZBQOSA-N 2 0 341.499 3.337 20 0 EGADRP CCC(CC)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001318632215 1385806406 /nfs/dbraw/zinc/80/64/06/1385806406.db2.gz KDONHBRKBNUNIJ-SFHVURJKSA-N 2 0 337.552 3.314 20 0 EGADRP Cn1nnc2cc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC001177127828 1385824880 /nfs/dbraw/zinc/82/48/80/1385824880.db2.gz QEWVEFHQFATPBX-UHFFFAOYSA-N 2 0 349.482 3.244 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2c(C)cccc2C)CC1)[NH+](C)C ZINC001318978462 1385906607 /nfs/dbraw/zinc/90/66/07/1385906607.db2.gz CZKMBDCJUGLJDP-BJLQDIEVSA-N 2 0 345.531 3.161 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]Cc2ccsc2)o1 ZINC001177317960 1385912023 /nfs/dbraw/zinc/91/20/23/1385912023.db2.gz PLDQUEPSQHAAKG-UHFFFAOYSA-N 2 0 349.500 3.093 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001177339274 1385918774 /nfs/dbraw/zinc/91/87/74/1385918774.db2.gz AUCFWEMRJVRIPO-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)CC1 ZINC001177398800 1385943183 /nfs/dbraw/zinc/94/31/83/1385943183.db2.gz WVDDDPPBQXAKAO-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CCCC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177402609 1385944305 /nfs/dbraw/zinc/94/43/05/1385944305.db2.gz QUVJXRQRXOBBQS-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177415613 1385948510 /nfs/dbraw/zinc/94/85/10/1385948510.db2.gz FXUSQRHQGTZFGB-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001177433305 1385954711 /nfs/dbraw/zinc/95/47/11/1385954711.db2.gz AZHDJHMBLLALDC-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001177440157 1385957431 /nfs/dbraw/zinc/95/74/31/1385957431.db2.gz BDRRQTRDTRHHPW-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC[NH+](CC(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)CC1 ZINC001177448663 1385959772 /nfs/dbraw/zinc/95/97/72/1385959772.db2.gz QUYDDHKMWJDDSW-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001177484903 1385973999 /nfs/dbraw/zinc/97/39/99/1385973999.db2.gz MWVOIENTORMSRL-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177485081 1385975257 /nfs/dbraw/zinc/97/52/57/1385975257.db2.gz QIQRCZPSXMQBFL-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP Clc1ccc2ncc(C[NH2+]Cc3ccc(-n4ccnc4)cc3)n2c1 ZINC001177566365 1385998872 /nfs/dbraw/zinc/99/88/72/1385998872.db2.gz ULEVBXVZCOOFRR-UHFFFAOYSA-N 2 0 337.814 3.463 20 0 EGADRP CCC1(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCOCC1 ZINC001177668746 1386019055 /nfs/dbraw/zinc/01/90/55/1386019055.db2.gz CGYGCXPOKMZNKZ-FQEVSTJZSA-N 2 0 330.516 3.347 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502857 1386237221 /nfs/dbraw/zinc/23/72/21/1386237221.db2.gz ZTTPTDAQSDUEAS-HXUWFJFHSA-N 2 0 349.563 3.175 20 0 EGADRP CC1(C)CC(C[NH2+]CCCCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001178502381 1386237343 /nfs/dbraw/zinc/23/73/43/1386237343.db2.gz NYQGMAHETXLHKC-LJQANCHMSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CCCCCF)CC[N@@H+]1C ZINC001178526976 1386241134 /nfs/dbraw/zinc/24/11/34/1386241134.db2.gz GNPPMZYOUFMUHC-ZWKOTPCHSA-N 2 0 343.531 3.123 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178612100 1386261693 /nfs/dbraw/zinc/26/16/93/1386261693.db2.gz AUNWHPVMNKEWMP-KRWDZBQOSA-N 2 0 345.547 3.369 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001319708824 1386262651 /nfs/dbraw/zinc/26/26/51/1386262651.db2.gz GGTKXHHPEYTPSQ-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001319709345 1386263284 /nfs/dbraw/zinc/26/32/84/1386263284.db2.gz ILTXXMWWBFOFIG-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178633629 1386264986 /nfs/dbraw/zinc/26/49/86/1386264986.db2.gz BOFJDKWVCZKACX-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178634531 1386266156 /nfs/dbraw/zinc/26/61/56/1386266156.db2.gz YJGMQAUQHSLQKD-VOFKWLDRSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001178688419 1386277941 /nfs/dbraw/zinc/27/79/41/1386277941.db2.gz CHTAEJTWGGUUNY-WDSOQIARSA-N 2 0 335.536 3.019 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]Cc1ccccc1F)C1CCC1 ZINC001178702843 1386283485 /nfs/dbraw/zinc/28/34/85/1386283485.db2.gz XIUCOTBUXOKHAJ-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707641 1386285167 /nfs/dbraw/zinc/28/51/67/1386285167.db2.gz KJISEMYWXCCCRT-BJLQDIEVSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178832408 1386320861 /nfs/dbraw/zinc/32/08/61/1386320861.db2.gz FKBSANIUKQTQFM-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178832406 1386321375 /nfs/dbraw/zinc/32/13/75/1386321375.db2.gz FKBSANIUKQTQFM-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178920670 1386349120 /nfs/dbraw/zinc/34/91/20/1386349120.db2.gz DMMVUIZIMICRHE-MSOLQXFVSA-N 2 0 343.531 3.121 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001319872497 1386349443 /nfs/dbraw/zinc/34/94/43/1386349443.db2.gz XWPCGXNTCFJXIN-INIZCTEOSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178921148 1386350280 /nfs/dbraw/zinc/35/02/80/1386350280.db2.gz ZGFKLVNIUSGHNJ-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H]([NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C)c1ccccc1 ZINC001319943033 1386405943 /nfs/dbraw/zinc/40/59/43/1386405943.db2.gz HPNXGLYTLVYMBG-VQTJNVASSA-N 2 0 345.531 3.210 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001179134918 1386407839 /nfs/dbraw/zinc/40/78/39/1386407839.db2.gz WNEGGCZPXMESJZ-UHFFFAOYSA-N 2 0 333.520 3.081 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179399952 1386475178 /nfs/dbraw/zinc/47/51/78/1386475178.db2.gz HSPAWHLDRFDIPE-VOTSOKGWSA-N 2 0 325.541 3.341 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001179403522 1386476832 /nfs/dbraw/zinc/47/68/32/1386476832.db2.gz QBIFYECPQDWVIP-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001179463362 1386488066 /nfs/dbraw/zinc/48/80/66/1386488066.db2.gz FRANLJBDAFHJDZ-IBGZPJMESA-N 2 0 349.494 3.031 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001179463361 1386488156 /nfs/dbraw/zinc/48/81/56/1386488156.db2.gz FQNREXWULGTLNI-LJQANCHMSA-N 2 0 349.494 3.031 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001179499285 1386498918 /nfs/dbraw/zinc/49/89/18/1386498918.db2.gz SGKHJVGUSNHUBP-GOSISDBHSA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001179498773 1386499005 /nfs/dbraw/zinc/49/90/05/1386499005.db2.gz GXFQSQBNIWGOGV-QGZVFWFLSA-N 2 0 327.557 3.275 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179499557 1386499817 /nfs/dbraw/zinc/49/98/17/1386499817.db2.gz WFOMNLURQCVHKU-GOSISDBHSA-N 2 0 327.557 3.275 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179525483 1386506158 /nfs/dbraw/zinc/50/61/58/1386506158.db2.gz LKACODJADHWHJM-OBYNMQOQSA-N 2 0 337.552 3.432 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179525484 1386506251 /nfs/dbraw/zinc/50/62/51/1386506251.db2.gz LKACODJADHWHJM-SEUQIMCTSA-N 2 0 337.552 3.432 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001179549745 1386511994 /nfs/dbraw/zinc/51/19/94/1386511994.db2.gz ISPUVVUXDJZFAW-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001179609738 1386530912 /nfs/dbraw/zinc/53/09/12/1386530912.db2.gz ZNRQILWDCUHKGJ-FQEVSTJZSA-N 2 0 347.547 3.410 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@H](C)CC)[C@@H]1C ZINC001179748817 1386570959 /nfs/dbraw/zinc/57/09/59/1386570959.db2.gz LJKLCBBWOZEBJU-SQNIBIBYSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H](F)CC[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179746521 1386571249 /nfs/dbraw/zinc/57/12/49/1386571249.db2.gz WMRMAIBGWWTVHI-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749784 1386571683 /nfs/dbraw/zinc/57/16/83/1386571683.db2.gz UKEOOSZEBBIXQQ-PLNGDYQASA-N 2 0 337.552 3.341 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749785 1386571933 /nfs/dbraw/zinc/57/19/33/1386571933.db2.gz UKEOOSZEBBIXQQ-SNAWJCMRSA-N 2 0 337.552 3.341 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001179777184 1386581377 /nfs/dbraw/zinc/58/13/77/1386581377.db2.gz PSUOCNAFSMKLIO-BDUNBXCCSA-N 2 0 334.508 3.211 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001179843083 1386604414 /nfs/dbraw/zinc/60/44/14/1386604414.db2.gz RILWJDFOBUKJLF-ROUUACIJSA-N 2 0 345.547 3.367 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1csc(C)c1 ZINC001179851176 1386607298 /nfs/dbraw/zinc/60/72/98/1386607298.db2.gz XKXNTQYMLYKBBG-UHFFFAOYSA-N 2 0 339.549 3.165 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001179971921 1386653556 /nfs/dbraw/zinc/65/35/56/1386653556.db2.gz DXIFKSUGHIOFQQ-HBFSDRIKSA-N 2 0 345.531 3.367 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC001179988512 1386660194 /nfs/dbraw/zinc/66/01/94/1386660194.db2.gz JIWGHBBWEHCCQP-SFHVURJKSA-N 2 0 333.520 3.356 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCC2=CCCCC2)C1 ZINC001180060987 1386683951 /nfs/dbraw/zinc/68/39/51/1386683951.db2.gz WZIHFYIAGGGGEC-HXUWFJFHSA-N 2 0 349.563 3.485 20 0 EGADRP CC1CCC(C[NH2+]CCCCCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001180069321 1386686978 /nfs/dbraw/zinc/68/69/78/1386686978.db2.gz ZTIWCZGROLOSIW-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001320709736 1386698157 /nfs/dbraw/zinc/69/81/57/1386698157.db2.gz XELKOWUZFYPCAV-ZWKOTPCHSA-N 2 0 332.488 3.076 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001180204262 1386731978 /nfs/dbraw/zinc/73/19/78/1386731978.db2.gz MNJPWPXQSDJKSD-LPHOPBHVSA-N 2 0 349.494 3.081 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)c1ccccc1F ZINC001180279179 1386753444 /nfs/dbraw/zinc/75/34/44/1386753444.db2.gz ZASWUDLAYZYIAW-QGZVFWFLSA-N 2 0 349.494 3.249 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180356615 1386772979 /nfs/dbraw/zinc/77/29/79/1386772979.db2.gz FFCWNDCOMAKXPH-UHFFFAOYSA-N 2 0 325.541 3.319 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)[NH+]1CCCC1 ZINC001180372846 1386777627 /nfs/dbraw/zinc/77/76/27/1386777627.db2.gz IFKUNGIWSXVUBJ-ROUUACIJSA-N 2 0 343.531 3.121 20 0 EGADRP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001321356410 1386884557 /nfs/dbraw/zinc/88/45/57/1386884557.db2.gz YXIMDSAKWVQZBE-HZPDHXFCSA-N 2 0 333.545 3.228 20 0 EGADRP C[N@H+](CCC(=O)N1CCC([NH3+])(CC2CCC2)CC1)Cc1ccccc1 ZINC001181141216 1386944882 /nfs/dbraw/zinc/94/48/82/1386944882.db2.gz IAHWLYZDDRMESN-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001321757094 1386976588 /nfs/dbraw/zinc/97/65/88/1386976588.db2.gz VLGCMUSORCVOPA-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525638 1387010365 /nfs/dbraw/zinc/01/03/65/1387010365.db2.gz PEWSFSGUBZHKPP-MDJPVNNASA-N 2 0 349.563 3.147 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001182170036 1387116036 /nfs/dbraw/zinc/11/60/36/1387116036.db2.gz QAAQQFFGYDKLLM-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001182345503 1387153185 /nfs/dbraw/zinc/15/31/85/1387153185.db2.gz BDNGEOIYJZXEFI-YFVAEKQCSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001182401749 1387160914 /nfs/dbraw/zinc/16/09/14/1387160914.db2.gz MRAODSJZTRHBFE-RZQQEMMASA-N 2 0 349.519 3.075 20 0 EGADRP CC[C@@H]([NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001182486057 1387175136 /nfs/dbraw/zinc/17/51/36/1387175136.db2.gz HZYKUNORZUILJR-YFVAEKQCSA-N 2 0 345.531 3.164 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001182486732 1387175163 /nfs/dbraw/zinc/17/51/63/1387175163.db2.gz SEVMXDDOENDCKX-SSPLKJMRSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001182806225 1387227454 /nfs/dbraw/zinc/22/74/54/1387227454.db2.gz CSPNXKYORHNZSE-LVCYWYKZSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC)C1 ZINC001182917705 1387246309 /nfs/dbraw/zinc/24/63/09/1387246309.db2.gz ZUUXFCDYQZNPCR-UYAOXDASSA-N 2 0 339.568 3.373 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001182933581 1387248827 /nfs/dbraw/zinc/24/88/27/1387248827.db2.gz KQRCJPCLDLFCRS-YLJYHZDGSA-N 2 0 339.568 3.229 20 0 EGADRP CCC(CC)(CNc1nccnc1C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC001336515548 1389116285 /nfs/dbraw/zinc/11/62/85/1389116285.db2.gz APFBTJIYLTXGMV-HNNXBMFYSA-N 2 0 327.476 3.257 20 0 EGADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491958 1389130858 /nfs/dbraw/zinc/13/08/58/1389130858.db2.gz YXLHXHHOYPIRQB-UHFFFAOYSA-N 2 0 343.515 3.388 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1=CCCCC1)[NH+](C)C ZINC001329935934 1389264351 /nfs/dbraw/zinc/26/43/51/1389264351.db2.gz IIMNMMKQYLWMDH-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC001329937267 1389266467 /nfs/dbraw/zinc/26/64/67/1389266467.db2.gz NQIHBNZGONGNMU-PMACEKPBSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)c1 ZINC001338459692 1389687455 /nfs/dbraw/zinc/68/74/55/1389687455.db2.gz FCEHKRUKKMODFH-FQEVSTJZSA-N 2 0 348.531 3.063 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001331818930 1389878691 /nfs/dbraw/zinc/87/86/91/1389878691.db2.gz ACFVDMIFWZUPCH-HOJAQTOUSA-N 2 0 343.515 3.192 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ccc2C)[C@@H]1C ZINC001332219376 1390050284 /nfs/dbraw/zinc/05/02/84/1390050284.db2.gz NUWTYXLKMWBMJK-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001332360952 1390096663 /nfs/dbraw/zinc/09/66/63/1390096663.db2.gz XJPHNHJEGFCXPK-UHFFFAOYSA-N 2 0 330.501 3.190 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001332439242 1390118373 /nfs/dbraw/zinc/11/83/73/1390118373.db2.gz GFXOEKDEFXLMLE-INIZCTEOSA-N 2 0 347.422 3.138 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC001332882319 1390208517 /nfs/dbraw/zinc/20/85/17/1390208517.db2.gz XALOHPDASMDRJM-IWWKYQTOSA-N 2 0 340.511 3.444 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001340105964 1390227339 /nfs/dbraw/zinc/22/73/39/1390227339.db2.gz PZIMCJWHKNVGNL-RVKKMQEKSA-N 2 0 337.533 3.011 20 0 EGADRP CC(C)C[C@](C)(C[NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001340216511 1390252076 /nfs/dbraw/zinc/25/20/76/1390252076.db2.gz AAAMIWUQVQKTAU-DYESRHJHSA-N 2 0 345.531 3.339 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001334332619 1390518330 /nfs/dbraw/zinc/51/83/30/1390518330.db2.gz LZDBQBDFJYRUNU-UHFFFAOYSA-N 3 0 328.504 3.047 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001334335542 1390519281 /nfs/dbraw/zinc/51/92/81/1390519281.db2.gz JEBIBDMVUIVEPO-ARFHVFGLSA-N 2 0 325.456 3.410 20 0 EGADRP CC[NH+](CC)C1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 ZINC001341761024 1390526550 /nfs/dbraw/zinc/52/65/50/1390526550.db2.gz VUXVZXLWUREQTE-UHFFFAOYSA-N 2 0 326.488 3.393 20 0 EGADRP Clc1cnn(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC001334829862 1390600686 /nfs/dbraw/zinc/60/06/86/1390600686.db2.gz XQHPXNAEBRIINQ-UHFFFAOYSA-N 2 0 330.863 3.019 20 0 EGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccco1 ZINC001342717391 1390644975 /nfs/dbraw/zinc/64/49/75/1390644975.db2.gz MREAGSLPHUEOKB-DYVFJYSZSA-N 2 0 340.427 3.095 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc4[nH]ccc4c3)c2)CC1 ZINC001335156907 1390649890 /nfs/dbraw/zinc/64/98/90/1390649890.db2.gz POUFMJYGPHLXFT-UHFFFAOYSA-N 2 0 348.494 3.205 20 0 EGADRP C[C@H]([NH2+]CCOC1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001335506932 1390695613 /nfs/dbraw/zinc/69/56/13/1390695613.db2.gz QXJBUYVMEAHCMY-PKOBYXMFSA-N 2 0 348.556 3.399 20 0 EGADRP c1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n(C2CC2)c1 ZINC001344070885 1390753624 /nfs/dbraw/zinc/75/36/24/1390753624.db2.gz XPAISCGSUCTHRS-NRFANRHFSA-N 2 0 339.483 3.204 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001698797419 1406468517 /nfs/dbraw/zinc/46/85/17/1406468517.db2.gz QEQRWIVUPONCIV-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC001346018224 1390901112 /nfs/dbraw/zinc/90/11/12/1390901112.db2.gz SQXGDBNOSWWTNJ-UHFFFAOYSA-N 2 0 326.440 3.067 20 0 EGADRP Fc1cccc2c1CC[C@@H]2[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC001347792701 1391125015 /nfs/dbraw/zinc/12/50/15/1391125015.db2.gz CQMNVMNXSMVCRJ-FQEVSTJZSA-N 2 0 332.463 3.247 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]Cc2ccccc2)CCCC1)CC(C)(C)C ZINC001698804538 1406484401 /nfs/dbraw/zinc/48/44/01/1406484401.db2.gz KWGXDUQHUABYIQ-UHFFFAOYSA-N 2 0 345.531 3.183 20 0 EGADRP CCc1cccc(C[NH2+]C2(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC2)c1 ZINC001698806484 1406487709 /nfs/dbraw/zinc/48/77/09/1406487709.db2.gz ONRKMGBIXWLJGG-LJQANCHMSA-N 2 0 345.531 3.108 20 0 EGADRP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001349371984 1391324841 /nfs/dbraw/zinc/32/48/41/1391324841.db2.gz LHFIBCIDTKNQHG-UHFFFAOYSA-N 2 0 336.863 3.092 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1)[NH+](CC)CC ZINC001698809833 1406495448 /nfs/dbraw/zinc/49/54/48/1406495448.db2.gz WTWIGJMPTXJZQS-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001351288018 1391622046 /nfs/dbraw/zinc/62/20/46/1391622046.db2.gz KNTVYTSKZBOVTN-MOPGFXCFSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)c1ccccc1C ZINC001488685516 1391702482 /nfs/dbraw/zinc/70/24/82/1391702482.db2.gz KTLAYRLNJNQNEE-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001353338744 1391992017 /nfs/dbraw/zinc/99/20/17/1391992017.db2.gz IVKQBHQJYJAGLV-BBRMVZONSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001479835578 1392421007 /nfs/dbraw/zinc/42/10/07/1392421007.db2.gz XOXCEGQVTOYOFP-PKOBYXMFSA-N 2 0 337.552 3.122 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001479895771 1392464656 /nfs/dbraw/zinc/46/46/56/1392464656.db2.gz QNRPHEITCWUWHZ-UHFFFAOYSA-N 2 0 339.568 3.467 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480109544 1392588934 /nfs/dbraw/zinc/58/89/34/1392588934.db2.gz HAEWMMZJJKXOTF-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001480180670 1392612714 /nfs/dbraw/zinc/61/27/14/1392612714.db2.gz FUCGQEHSYVIPPU-YQQQUEKLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001480295271 1392663679 /nfs/dbraw/zinc/66/36/79/1392663679.db2.gz YZVZQUSDGNDTCC-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480617957 1392822754 /nfs/dbraw/zinc/82/27/54/1392822754.db2.gz JLNDSSHXIBNPTR-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001480798729 1392940835 /nfs/dbraw/zinc/94/08/35/1392940835.db2.gz KHZRZRDAPVTXQH-RTBURBONSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481127193 1393126812 /nfs/dbraw/zinc/12/68/12/1393126812.db2.gz QETAYQKUZWHCTQ-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001698884396 1406616696 /nfs/dbraw/zinc/61/66/96/1406616696.db2.gz LQYKYPHXKWGGAP-IBGZPJMESA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001698901714 1406634967 /nfs/dbraw/zinc/63/49/67/1406634967.db2.gz PQXNSKBZXWPDEN-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001698916710 1406651053 /nfs/dbraw/zinc/65/10/53/1406651053.db2.gz LUHDZUFCKLKSIR-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001481402312 1394251647 /nfs/dbraw/zinc/25/16/47/1394251647.db2.gz ZTHPLRPAMDXXCX-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCCC3)C2)CC1 ZINC001490768334 1394330713 /nfs/dbraw/zinc/33/07/13/1394330713.db2.gz LTKJQNKUJXVOSZ-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490773407 1394335717 /nfs/dbraw/zinc/33/57/17/1394335717.db2.gz FOIHLUNSGDHZCZ-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@H+](C)CC3CCCCCC3)C2)CC1 ZINC001481499842 1394346332 /nfs/dbraw/zinc/34/63/32/1394346332.db2.gz YJDBHBWNZCVTQM-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001481534961 1394393517 /nfs/dbraw/zinc/39/35/17/1394393517.db2.gz SJBBBPMBQWDDEP-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491167982 1394456045 /nfs/dbraw/zinc/45/60/45/1394456045.db2.gz CETZJWHHPODKNM-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481748664 1394493207 /nfs/dbraw/zinc/49/32/07/1394493207.db2.gz JRJXTCZQEODUFI-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001491299633 1394501045 /nfs/dbraw/zinc/50/10/45/1394501045.db2.gz HPVUDXCIZBNZKE-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001482065757 1394726841 /nfs/dbraw/zinc/72/68/41/1394726841.db2.gz SINNGFNJAWBQFV-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001482291289 1394869892 /nfs/dbraw/zinc/86/98/92/1394869892.db2.gz DOCDIBYBNKJWTK-KRWDZBQOSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482319437 1394890919 /nfs/dbraw/zinc/89/09/19/1394890919.db2.gz KOHUPJFTHQTBQH-VQIMIIECSA-N 2 0 345.531 3.015 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001482433922 1394994673 /nfs/dbraw/zinc/99/46/73/1394994673.db2.gz MBNDCOUGBXSUFR-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@]2(CC[NH+](C(C)C)C2)C1)c1ccccc1 ZINC001483848468 1395115665 /nfs/dbraw/zinc/11/56/65/1395115665.db2.gz UUXKLBZFKXIJMV-CTNGQTDRSA-N 2 0 343.515 3.012 20 0 EGADRP CCc1cccc(C[NH+]2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001483971810 1395169898 /nfs/dbraw/zinc/16/98/98/1395169898.db2.gz FUODEIWIPDZJGQ-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@H+](CC3CCCC3)C2)CCCCC1 ZINC001484054763 1395217985 /nfs/dbraw/zinc/21/79/85/1395217985.db2.gz ODXMWAAKTOHQMC-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](Cc2cccc(C)c2)C1 ZINC001484175201 1395321798 /nfs/dbraw/zinc/32/17/98/1395321798.db2.gz UKIAFZLAPPEVNM-OAQYLSRUSA-N 2 0 345.531 3.055 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001484547442 1395429883 /nfs/dbraw/zinc/42/98/83/1395429883.db2.gz QIUWZKUIJURAMK-RTBURBONSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)CCC1CCCC1 ZINC001484769162 1395526080 /nfs/dbraw/zinc/52/60/80/1395526080.db2.gz OYNZPAGRNCYJRD-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485351284 1395826859 /nfs/dbraw/zinc/82/68/59/1395826859.db2.gz SQIIEERBDMJGTI-FXAWDEMLSA-N 2 0 347.547 3.333 20 0 EGADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001485517576 1395994537 /nfs/dbraw/zinc/99/45/37/1395994537.db2.gz VRDABSQDYPERIG-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001505410334 1396294099 /nfs/dbraw/zinc/29/40/99/1396294099.db2.gz GCHXNHDQIHAFKC-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001492256634 1396316798 /nfs/dbraw/zinc/31/67/98/1396316798.db2.gz ILQBAMCWAZGAKO-SQGPQFPESA-N 2 0 345.531 3.259 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1ccccc1F ZINC001492442112 1396322511 /nfs/dbraw/zinc/32/25/11/1396322511.db2.gz UILKJHIAFMUESW-LPHOPBHVSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC001690244820 1404430463 /nfs/dbraw/zinc/43/04/63/1404430463.db2.gz ULGIOQNXLSJETE-UZLBHIALSA-N 2 0 339.483 3.043 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001690459867 1404590975 /nfs/dbraw/zinc/59/09/75/1404590975.db2.gz ULLKRUHJVZVOAN-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001690544543 1404628680 /nfs/dbraw/zinc/62/86/80/1404628680.db2.gz RZGVBHDXSWJJGY-UHFFFAOYSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001690635521 1404667870 /nfs/dbraw/zinc/66/78/70/1404667870.db2.gz PLUWOSXNAUPWED-ZWKOTPCHSA-N 2 0 345.531 3.271 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001690824311 1404760895 /nfs/dbraw/zinc/76/08/95/1404760895.db2.gz AQPVUGLZQGGWSZ-QUCCMNQESA-N 2 0 345.531 3.402 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001691082131 1405016717 /nfs/dbraw/zinc/01/67/17/1405016717.db2.gz GDPVYXYZCROONL-HKUYNNGSSA-N 2 0 343.515 3.121 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001691108389 1405049118 /nfs/dbraw/zinc/04/91/18/1405049118.db2.gz IEDQGNANCNGMSI-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001691163314 1405098636 /nfs/dbraw/zinc/09/86/36/1405098636.db2.gz SXNRXFYEFUCONF-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC(CC)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001732024989 1428243178 /nfs/dbraw/zinc/24/31/78/1428243178.db2.gz ZRKANJNWGWBDFL-FQEVSTJZSA-N 2 0 345.531 3.212 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CCCC(C)(C)C)C2)CCC1 ZINC001732072730 1428322266 /nfs/dbraw/zinc/32/22/66/1428322266.db2.gz UMPPZPJVAKXDCR-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001732081797 1428336930 /nfs/dbraw/zinc/33/69/30/1428336930.db2.gz QRXDXBSHBXKWTG-IBGZPJMESA-N 2 0 345.531 3.007 20 0 EGADRP C[N@H+](CCC(=O)NC1C[NH+](CC2CCCCCC2)C1)C1CCCCC1 ZINC001732105806 1428363432 /nfs/dbraw/zinc/36/34/32/1428363432.db2.gz MARVAPLIXQZQOW-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cs1 ZINC001732153282 1428397205 /nfs/dbraw/zinc/39/72/05/1428397205.db2.gz KHACHGCDDQDUEY-SFHVURJKSA-N 2 0 349.544 3.013 20 0 EGADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1ccccc1C ZINC001732203954 1428454143 /nfs/dbraw/zinc/45/41/43/1428454143.db2.gz JQNSYXMMSNUYLZ-ROUUACIJSA-N 2 0 343.515 3.169 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001732372289 1428553025 /nfs/dbraw/zinc/55/30/25/1428553025.db2.gz MMBHFEPYGPTQPX-QGZVFWFLSA-N 2 0 345.531 3.021 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699700921 1413114767 /nfs/dbraw/zinc/11/47/67/1413114767.db2.gz BFXNLBULCFAWNE-RXVVDRJESA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827396 1413255610 /nfs/dbraw/zinc/25/56/10/1413255610.db2.gz WOCFBJPIMCBKMR-FQEVSTJZSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699856284 1413287709 /nfs/dbraw/zinc/28/77/09/1413287709.db2.gz WNTAWQNYGNPHHN-RXVVDRJESA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001700185354 1413604365 /nfs/dbraw/zinc/60/43/65/1413604365.db2.gz ZSYMRDVKPXTJBQ-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001700190334 1413618231 /nfs/dbraw/zinc/61/82/31/1413618231.db2.gz AGGCPLNPHQCREE-SFHVURJKSA-N 2 0 345.531 3.321 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293907 1413751403 /nfs/dbraw/zinc/75/14/03/1413751403.db2.gz KRAWJUZLWOBXQX-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700356139 1413858600 /nfs/dbraw/zinc/85/86/00/1413858600.db2.gz NLGLLXIZVOCLJW-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700482239 1414121671 /nfs/dbraw/zinc/12/16/71/1414121671.db2.gz XRRPWMXFGBIQOX-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[NH2+][C@@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001700501367 1414149690 /nfs/dbraw/zinc/14/96/90/1414149690.db2.gz ALIOBAVULZLVBY-SFHVURJKSA-N 2 0 330.476 3.129 20 0 EGADRP CCC(CC)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732581620 1428787788 /nfs/dbraw/zinc/78/77/88/1428787788.db2.gz IMMPTHUZONBHNH-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)c2ccccc2F)C1 ZINC001701024413 1414685915 /nfs/dbraw/zinc/68/59/15/1414685915.db2.gz CWMRUNBREVCXFC-KLAILNCOSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001732744882 1428942607 /nfs/dbraw/zinc/94/26/07/1428942607.db2.gz GRNGFNLAFGBVHX-KXBFYZLASA-N 2 0 349.494 3.029 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)c1cccc2ccccc21 ZINC001733009639 1429129318 /nfs/dbraw/zinc/12/93/18/1429129318.db2.gz ILSYYFMBCHWUCH-DLBZAZTESA-N 2 0 341.499 3.337 20 0 EGADRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCCCCC1 ZINC001713411493 1418034243 /nfs/dbraw/zinc/03/42/43/1418034243.db2.gz HQJGCTXWHIYISI-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713461664 1418119428 /nfs/dbraw/zinc/11/94/28/1418119428.db2.gz JJVASMUIUOYZPT-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)CC1CCCCC1 ZINC001713495821 1418203945 /nfs/dbraw/zinc/20/39/45/1418203945.db2.gz BWRWOHOQKJGLRU-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H](C)c1cccc(C)c1 ZINC001713497488 1418208991 /nfs/dbraw/zinc/20/89/91/1418208991.db2.gz PEKDZEFHNHREJB-LJQANCHMSA-N 2 0 345.531 3.370 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713515548 1418250214 /nfs/dbraw/zinc/25/02/14/1418250214.db2.gz WXBPAZLVBOBPQN-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713515549 1418250743 /nfs/dbraw/zinc/25/07/43/1418250743.db2.gz WXBPAZLVBOBPQN-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530354 1418278104 /nfs/dbraw/zinc/27/81/04/1418278104.db2.gz DLCXKCGWXFZNNV-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cnc2cc(C(=O)NC[C@H]([NH2+]CC3CC3)c3ccccc3)ccn12 ZINC001713702048 1418460330 /nfs/dbraw/zinc/46/03/30/1418460330.db2.gz GCUJDBVBBJBEPZ-IBGZPJMESA-N 2 0 348.450 3.113 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001713838545 1418636027 /nfs/dbraw/zinc/63/60/27/1418636027.db2.gz PNZOCGLBLUTSFI-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCC1 ZINC001713865629 1418662812 /nfs/dbraw/zinc/66/28/12/1418662812.db2.gz HZURXORFVIBBFH-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+](CCCC(C)(C)C)C2)CCC1 ZINC001714035339 1418824122 /nfs/dbraw/zinc/82/41/22/1418824122.db2.gz JGSTZZIIRTVFKL-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001714048887 1418846423 /nfs/dbraw/zinc/84/64/23/1418846423.db2.gz DZGJXMGYBJLLTB-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714149656 1418955849 /nfs/dbraw/zinc/95/58/49/1418955849.db2.gz FANOHGYBWSSLMV-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001714364948 1419125235 /nfs/dbraw/zinc/12/52/35/1419125235.db2.gz BNBRTYZIFJCPLD-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001714496262 1419220881 /nfs/dbraw/zinc/22/08/81/1419220881.db2.gz YSWUKOWLAVIRDN-APWZRJJASA-N 2 0 347.547 3.309 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)[C@H](C)c1ccccc1 ZINC001714587150 1419330646 /nfs/dbraw/zinc/33/06/46/1419330646.db2.gz OGZAMWQTFXEKJD-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cccc(C[N@H+](CCNC(=O)c2cccc3nccn32)C2CC2)c1 ZINC001714669438 1419459198 /nfs/dbraw/zinc/45/91/98/1419459198.db2.gz WQGOKCYNNYFREM-UHFFFAOYSA-N 2 0 348.450 3.037 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001714829098 1419538965 /nfs/dbraw/zinc/53/89/65/1419538965.db2.gz CMEXBNQPNKOWFW-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714900738 1419642082 /nfs/dbraw/zinc/64/20/82/1419642082.db2.gz VPAQIPIPJZALOT-IAGOWNOFSA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001714992246 1419724832 /nfs/dbraw/zinc/72/48/32/1419724832.db2.gz GKJYLUZGXTXGOV-HOJAQTOUSA-N 2 0 349.563 3.074 20 0 EGADRP CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001715388927 1420085917 /nfs/dbraw/zinc/08/59/17/1420085917.db2.gz IMGCNWXKXKJCTK-PXNSSMCTSA-N 2 0 345.531 3.210 20 0 EGADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001715411817 1420107783 /nfs/dbraw/zinc/10/77/83/1420107783.db2.gz IYCFVDVDKULIME-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCc1ccc(C[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C)cc1 ZINC001715534481 1420227996 /nfs/dbraw/zinc/22/79/96/1420227996.db2.gz WUBCOVNPZADCPZ-UHFFFAOYSA-N 2 0 347.547 3.117 20 0 EGADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCCCC1 ZINC001715645485 1420277536 /nfs/dbraw/zinc/27/75/36/1420277536.db2.gz NJFTWFWRNMPRDA-GOSISDBHSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCCc2ccccc21)NC(=O)C[N@H+](C)C1CCC1 ZINC001715656115 1420281268 /nfs/dbraw/zinc/28/12/68/1420281268.db2.gz OLBFPVVPLRFFPB-UZLBHIALSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H](C[N@H+](C)CCCC1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031131 1420489394 /nfs/dbraw/zinc/48/93/94/1420489394.db2.gz RLNPIQWTIFDJDI-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031996 1420490847 /nfs/dbraw/zinc/49/08/47/1420490847.db2.gz VNTBSTYIPSMQSA-QZTJIDSGSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716198930 1420563409 /nfs/dbraw/zinc/56/34/09/1420563409.db2.gz WXPJXYWIWWSPEG-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716446823 1420664716 /nfs/dbraw/zinc/66/47/16/1420664716.db2.gz NTFLOIVNLGVNTD-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001716518131 1420747303 /nfs/dbraw/zinc/74/73/03/1420747303.db2.gz LKZKZGWTUXOKIL-MOPGFXCFSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717145436 1421138175 /nfs/dbraw/zinc/13/81/75/1421138175.db2.gz GBVLDLYKKKRFEE-QFBILLFUSA-N 2 0 349.494 3.081 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001717216427 1421194572 /nfs/dbraw/zinc/19/45/72/1421194572.db2.gz IPHBQBBDFYGWQH-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001717485958 1421422806 /nfs/dbraw/zinc/42/28/06/1421422806.db2.gz WYGUFGIFWMIGFZ-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)CC1CCCCCC1 ZINC001717488673 1421425730 /nfs/dbraw/zinc/42/57/30/1421425730.db2.gz YXSFDHVWSLIVAC-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717886037 1421688297 /nfs/dbraw/zinc/68/82/97/1421688297.db2.gz YMVQCOVGKLMRSZ-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001733379474 1429563443 /nfs/dbraw/zinc/56/34/43/1429563443.db2.gz GFFLFXUEQQXXFJ-OALUTQOASA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CC2CCCCC2)C2CCCC2)CCC1 ZINC001733381851 1429567122 /nfs/dbraw/zinc/56/71/22/1429567122.db2.gz VIFXXXBMHVOLHO-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001733441049 1429648931 /nfs/dbraw/zinc/64/89/31/1429648931.db2.gz MQWAAZOVQKUGCC-UZLBHIALSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CC3CCC3)C2)CC1 ZINC001733459787 1429682514 /nfs/dbraw/zinc/68/25/14/1429682514.db2.gz AFDAZULBNGFKGO-OAQYLSRUSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001723529234 1424453009 /nfs/dbraw/zinc/45/30/09/1424453009.db2.gz HYZDSPRGQMMGLR-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CC[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC001723579491 1424472923 /nfs/dbraw/zinc/47/29/23/1424472923.db2.gz UBMKAVAFTGICAF-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CC[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC001723579486 1424472992 /nfs/dbraw/zinc/47/29/92/1424472992.db2.gz UBMKAVAFTGICAF-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001723938510 1424609175 /nfs/dbraw/zinc/60/91/75/1424609175.db2.gz YZOPKKOJOUZBEU-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001724800864 1425169356 /nfs/dbraw/zinc/16/93/56/1425169356.db2.gz OVZVZGFGOHMJRC-QGZVFWFLSA-N 2 0 349.544 3.059 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001724846782 1425200055 /nfs/dbraw/zinc/20/00/55/1425200055.db2.gz TZTZGJSRYREKGN-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724865258 1425248256 /nfs/dbraw/zinc/24/82/56/1425248256.db2.gz CXOUBUSVSVUFES-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1cc(C)ccc1C ZINC001725051140 1425483640 /nfs/dbraw/zinc/48/36/40/1425483640.db2.gz CDOUXSOQMWVHHN-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cccc(CC)c1 ZINC001725054417 1425488931 /nfs/dbraw/zinc/48/89/31/1425488931.db2.gz VXOAGXRZSAYIDD-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CCC1CCCCCC1 ZINC001725175063 1425689523 /nfs/dbraw/zinc/68/95/23/1425689523.db2.gz UHMVWJUWGBVGQK-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1ccccc1Cl ZINC001725188939 1425728528 /nfs/dbraw/zinc/72/85/28/1425728528.db2.gz KXGVTWGVMPTGJD-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCCCC2)CC1 ZINC001725242528 1425850591 /nfs/dbraw/zinc/85/05/91/1425850591.db2.gz OYJLHUCUEKUEBP-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001725657159 1426340356 /nfs/dbraw/zinc/34/03/56/1426340356.db2.gz UGXPEZCWHXSBIP-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1c(C)cccc1C ZINC001731542898 1427555351 /nfs/dbraw/zinc/55/53/51/1427555351.db2.gz PNGRSFPCZSGGPY-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731561061 1427597966 /nfs/dbraw/zinc/59/79/66/1427597966.db2.gz YQIUERUHXQHYBQ-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@@H+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001731865494 1428112946 /nfs/dbraw/zinc/11/29/46/1428112946.db2.gz ABPAGVXQQFWYJT-FNUUXAGOSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001733581729 1429785115 /nfs/dbraw/zinc/78/51/15/1429785115.db2.gz YDOMGCCPHVRBGF-CEXWTWQISA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877580 1437704612 /nfs/dbraw/zinc/70/46/12/1437704612.db2.gz CPRWKCILWPURQL-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCCC(C)(C)C ZINC001733902574 1437720135 /nfs/dbraw/zinc/72/01/35/1437720135.db2.gz VOZZRLPZAZUEKY-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@H+](C)CCC2CC2)CCCCC1 ZINC001733933452 1437746847 /nfs/dbraw/zinc/74/68/47/1437746847.db2.gz HKDYHMNNROPJIF-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001734271522 1438002024 /nfs/dbraw/zinc/00/20/24/1438002024.db2.gz GTDZWVYABHXRAV-KRWDZBQOSA-N 2 0 343.515 3.012 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001751989467 1440131326 /nfs/dbraw/zinc/13/13/26/1440131326.db2.gz ODMDKPXMJAXMEY-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001752091409 1440140218 /nfs/dbraw/zinc/14/02/18/1440140218.db2.gz YEADDMWIABJTRM-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001752146256 1440146099 /nfs/dbraw/zinc/14/60/99/1440146099.db2.gz ZIRAGPBKVMPQDC-PKOBYXMFSA-N 2 0 337.552 3.409 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001752232157 1440158759 /nfs/dbraw/zinc/15/87/59/1440158759.db2.gz WCKSYRLONOFZRX-MOPGFXCFSA-N 2 0 345.531 3.144 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cc1C ZINC001752329846 1440171265 /nfs/dbraw/zinc/17/12/65/1440171265.db2.gz BNMRWBSSCPTPCE-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)CCCCC1 ZINC001752473022 1440184774 /nfs/dbraw/zinc/18/47/74/1440184774.db2.gz NTGBKFFTZHPVIA-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001752515153 1440190840 /nfs/dbraw/zinc/19/08/40/1440190840.db2.gz XCWFMFHQGSWHFA-RLWBPELLSA-N 2 0 349.563 3.388 20 0 EGADRP C[N@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001752524632 1440192614 /nfs/dbraw/zinc/19/26/14/1440192614.db2.gz GJEMIWUXLALSDL-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC001752708147 1440203017 /nfs/dbraw/zinc/20/30/17/1440203017.db2.gz RMDVLKQAPIBKIR-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752732024 1440204155 /nfs/dbraw/zinc/20/41/55/1440204155.db2.gz XWJGKKWOEGWXNF-QRVBRYPASA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001752823315 1440221896 /nfs/dbraw/zinc/22/18/96/1440221896.db2.gz ASEHGZROWVVQRZ-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001752827365 1440224134 /nfs/dbraw/zinc/22/41/34/1440224134.db2.gz AIMAIMSPSVQPJE-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CCC([NH2+]CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001752855041 1440234564 /nfs/dbraw/zinc/23/45/64/1440234564.db2.gz GJIIIEYHJWWGGY-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001752976967 1440256288 /nfs/dbraw/zinc/25/62/88/1440256288.db2.gz AQUKLTRSKQGTIS-RBUKOAKNSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001753000625 1440264459 /nfs/dbraw/zinc/26/44/59/1440264459.db2.gz SULJRXTYEVFNNR-PKOBYXMFSA-N 2 0 331.504 3.011 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753011137 1440267061 /nfs/dbraw/zinc/26/70/61/1440267061.db2.gz PBOSWMGVZFENAH-ZWKOTPCHSA-N 2 0 345.531 3.415 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001753055223 1440281124 /nfs/dbraw/zinc/28/11/24/1440281124.db2.gz LTBLDZBWSPABFW-PMACEKPBSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)[C@H](C)c1ccc(F)cc1 ZINC001753095036 1440302013 /nfs/dbraw/zinc/30/20/13/1440302013.db2.gz NCBRJRAMQHSRAO-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001753115900 1440311223 /nfs/dbraw/zinc/31/12/23/1440311223.db2.gz IMTZPACYYSSSFS-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP O=C(NCC[N@H+](CCC1CCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001753157499 1440331850 /nfs/dbraw/zinc/33/18/50/1440331850.db2.gz LXLQREYCEPUQSJ-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccc(F)cc1 ZINC001753191347 1440337750 /nfs/dbraw/zinc/33/77/50/1440337750.db2.gz XNAPVQAQLPWGLH-GBESFXJTSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001753265872 1440344803 /nfs/dbraw/zinc/34/48/03/1440344803.db2.gz RPZGXDJVELGTAY-QGZVFWFLSA-N 2 0 339.483 3.171 20 0 EGADRP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001753316074 1440359817 /nfs/dbraw/zinc/35/98/17/1440359817.db2.gz KWRXBJOJGAODBY-AZUAARDMSA-N 2 0 349.563 3.362 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001753319142 1440362000 /nfs/dbraw/zinc/36/20/00/1440362000.db2.gz BBDWLSMXHBWYMJ-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CCCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001753322221 1440364286 /nfs/dbraw/zinc/36/42/86/1440364286.db2.gz FSCBXMVRBFUVPU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001753334210 1440371406 /nfs/dbraw/zinc/37/14/06/1440371406.db2.gz DKXQSYHLSYERAN-SFHVURJKSA-N 2 0 345.531 3.090 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753337337 1440373256 /nfs/dbraw/zinc/37/32/56/1440373256.db2.gz LYKACFAWMUMTLS-OALUTQOASA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001753355819 1440379895 /nfs/dbraw/zinc/37/98/95/1440379895.db2.gz SZQKUVFBWRHNQA-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753359542 1440382120 /nfs/dbraw/zinc/38/21/20/1440382120.db2.gz JPXZZLLXDINRFC-GHOSXJJBSA-N 2 0 349.563 3.243 20 0 EGADRP C[C@@H](C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC001753411574 1440393357 /nfs/dbraw/zinc/39/33/57/1440393357.db2.gz RRLZGUFXTJVVRK-XBMUEBEBSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1 ZINC001753427418 1440397359 /nfs/dbraw/zinc/39/73/59/1440397359.db2.gz JQODLUZBYWRXDE-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438489 1440400658 /nfs/dbraw/zinc/40/06/58/1440400658.db2.gz AHJDPJVAJKUQMV-ZWKOTPCHSA-N 2 0 343.515 3.073 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753450365 1440405573 /nfs/dbraw/zinc/40/55/73/1440405573.db2.gz PZZKYUPDDLAWDW-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001753490783 1440419469 /nfs/dbraw/zinc/41/94/69/1440419469.db2.gz FDXRXLYQCHTXLS-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CC3CCCCC3)CCCC2)CC[N@@H+]1C ZINC001753503410 1440423997 /nfs/dbraw/zinc/42/39/97/1440423997.db2.gz FPBGRWNVYVSQDR-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001753508363 1440425231 /nfs/dbraw/zinc/42/52/31/1440425231.db2.gz HOSJOYCWWQIOJP-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)CC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001753509347 1440425483 /nfs/dbraw/zinc/42/54/83/1440425483.db2.gz QOAWRANGLZSWSG-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]([NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC001753510268 1440425706 /nfs/dbraw/zinc/42/57/06/1440425706.db2.gz NUCCDSACJDWNDE-MSOLQXFVSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH2+]CCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001753523854 1440429032 /nfs/dbraw/zinc/42/90/32/1440429032.db2.gz RNQFKODZQJHXRH-DJPFJPOOSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001753536610 1440432769 /nfs/dbraw/zinc/43/27/69/1440432769.db2.gz WPDJPEPWPFYHOU-GHTZIAJQSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[NH2+]C[C@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@H]1C ZINC001753538050 1440433037 /nfs/dbraw/zinc/43/30/37/1440433037.db2.gz VXKSJAHNWURQAS-DYESRHJHSA-N 2 0 345.531 3.425 20 0 EGADRP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001753569000 1440438135 /nfs/dbraw/zinc/43/81/35/1440438135.db2.gz KTJDZFOQNHSDHT-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001753573457 1440438981 /nfs/dbraw/zinc/43/89/81/1440438981.db2.gz MNFIHUYINREKLN-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1 ZINC001753585167 1440441147 /nfs/dbraw/zinc/44/11/47/1440441147.db2.gz WMNJGMFSYPDCTK-TVFCKZIOSA-N 2 0 341.515 3.014 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001753594531 1440444214 /nfs/dbraw/zinc/44/42/14/1440444214.db2.gz DMNDWYPIUNMWBZ-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001753616209 1440449682 /nfs/dbraw/zinc/44/96/82/1440449682.db2.gz AWXVLYZDTPWFRB-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001753674262 1440462887 /nfs/dbraw/zinc/46/28/87/1440462887.db2.gz MRCUEIVBCBLNNB-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001753709138 1440470211 /nfs/dbraw/zinc/47/02/11/1440470211.db2.gz SJXURMONNKVRPG-UYAOXDASSA-N 2 0 349.563 3.435 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001753710835 1440470607 /nfs/dbraw/zinc/47/06/07/1440470607.db2.gz IUUOMMKALLOTDT-ROUUACIJSA-N 2 0 345.531 3.143 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753725369 1440474340 /nfs/dbraw/zinc/47/43/40/1440474340.db2.gz CSYVNEMGIGQINS-SJORKVTESA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001753759301 1440483761 /nfs/dbraw/zinc/48/37/61/1440483761.db2.gz LBSUUTNGSZPUJN-ICSRJNTNSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001753763672 1440484480 /nfs/dbraw/zinc/48/44/80/1440484480.db2.gz VQVUALXCHVYHQA-CWHLKURSSA-N 2 0 349.563 3.291 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001753773936 1440486066 /nfs/dbraw/zinc/48/60/66/1440486066.db2.gz UVBBQLFFFMWBMF-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001753781507 1440487342 /nfs/dbraw/zinc/48/73/42/1440487342.db2.gz MPFWUPNLJXFKJJ-MRXNPFEDSA-N 2 0 328.460 3.027 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001753783481 1440487644 /nfs/dbraw/zinc/48/76/44/1440487644.db2.gz CVJZCFXILJJSBO-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCC2CCCC2)C1 ZINC001753788405 1440488576 /nfs/dbraw/zinc/48/85/76/1440488576.db2.gz NWXVYKLTZZFJTQ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1CC[NH2+]CC1CCCC1 ZINC001753789390 1440488712 /nfs/dbraw/zinc/48/87/12/1440488712.db2.gz YBSJQDWMPNTOCL-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001753810914 1440492764 /nfs/dbraw/zinc/49/27/64/1440492764.db2.gz BZPLPMJXKWWSJU-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1)CC1CCC1 ZINC001753819853 1440495373 /nfs/dbraw/zinc/49/53/73/1440495373.db2.gz GFLAETRTNDXQTG-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001753829964 1440499375 /nfs/dbraw/zinc/49/93/75/1440499375.db2.gz DYODAXLYXSJWKK-ZWKOTPCHSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@H+](C)CCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753856326 1440509158 /nfs/dbraw/zinc/50/91/58/1440509158.db2.gz FFBBMYFAJRIQIQ-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC2CCCCC2)CCC1 ZINC001753886756 1440521278 /nfs/dbraw/zinc/52/12/78/1440521278.db2.gz DKXCABHPFPFIMH-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753889820 1440521801 /nfs/dbraw/zinc/52/18/01/1440521801.db2.gz UTTDOEJXXMNDCJ-WMZOPIPTSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001754156688 1440545627 /nfs/dbraw/zinc/54/56/27/1440545627.db2.gz NEBLHPBGNMCSTK-DUMMIQTOSA-N 2 0 343.515 3.192 20 0 EGADRP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cs1 ZINC001754179094 1440547923 /nfs/dbraw/zinc/54/79/23/1440547923.db2.gz AIWZMZFCRVMIQW-DUMMIQTOSA-N 2 0 349.544 3.081 20 0 EGADRP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cs1 ZINC001754179097 1440548010 /nfs/dbraw/zinc/54/80/10/1440548010.db2.gz AIWZMZFCRVMIQW-XFHJGTJQSA-N 2 0 349.544 3.081 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754225458 1440553294 /nfs/dbraw/zinc/55/32/94/1440553294.db2.gz XSWQDKYQTXZQIW-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC001754255100 1440559070 /nfs/dbraw/zinc/55/90/70/1440559070.db2.gz DALQROCQNBYOLD-IEBWSBKVSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754279568 1440562941 /nfs/dbraw/zinc/56/29/41/1440562941.db2.gz ABDPMHIHQOXQSF-LPHOPBHVSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1c(C)ccc2ccccc21 ZINC001754289721 1440564865 /nfs/dbraw/zinc/56/48/65/1440564865.db2.gz SDJDDLQIGUYYEH-KRWDZBQOSA-N 2 0 341.499 3.084 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001754324243 1440579671 /nfs/dbraw/zinc/57/96/71/1440579671.db2.gz QWTPASSPPIHROV-HKUYNNGSSA-N 2 0 335.536 3.186 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001754347031 1440590046 /nfs/dbraw/zinc/59/00/46/1440590046.db2.gz VECDPVNQLYRFDV-CZHQAMEJSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001754350824 1440590781 /nfs/dbraw/zinc/59/07/81/1440590781.db2.gz FZKLYHGBYGNYPH-ZWKOTPCHSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001754374283 1440592794 /nfs/dbraw/zinc/59/27/94/1440592794.db2.gz YXZMFKXEOIDOAP-UYAOXDASSA-N 2 0 345.531 3.369 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001754542283 1440626421 /nfs/dbraw/zinc/62/64/21/1440626421.db2.gz LMKHNEZNMMOVID-UOUNDWCUSA-N 2 0 347.547 3.281 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001754544282 1440626880 /nfs/dbraw/zinc/62/68/80/1440626880.db2.gz NXBMMFCLUGCOJT-OTWHNJEPSA-N 2 0 349.563 3.076 20 0 EGADRP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001754544801 1440626990 /nfs/dbraw/zinc/62/69/90/1440626990.db2.gz IVAGFVILDKFZIY-XVLXNVKGSA-N 2 0 337.552 3.265 20 0 EGADRP CCCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001754547805 1440628428 /nfs/dbraw/zinc/62/84/28/1440628428.db2.gz RIZXMVAKPYAYCX-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001754558494 1440632825 /nfs/dbraw/zinc/63/28/25/1440632825.db2.gz UGONNYBDNIUDNU-HXUWFJFHSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001754561056 1440633634 /nfs/dbraw/zinc/63/36/34/1440633634.db2.gz HPNCIPQAWPUVIL-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001754604424 1440643062 /nfs/dbraw/zinc/64/30/62/1440643062.db2.gz WSDDPIILBCASIU-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccc(F)cc1 ZINC001754615768 1440644468 /nfs/dbraw/zinc/64/44/68/1440644468.db2.gz BJPLNQUNKSRUNR-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001754674775 1440659378 /nfs/dbraw/zinc/65/93/78/1440659378.db2.gz CHEGXKNQEPXGNZ-CTNGQTDRSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001754683062 1440663358 /nfs/dbraw/zinc/66/33/58/1440663358.db2.gz RFOWRHHTJOFXCS-HXUWFJFHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C2)cc1 ZINC001754730481 1440678975 /nfs/dbraw/zinc/67/89/75/1440678975.db2.gz WYHOITIULAOZLS-NRFANRHFSA-N 2 0 345.531 3.055 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754732113 1440680246 /nfs/dbraw/zinc/68/02/46/1440680246.db2.gz NRWKCESSOLQBMF-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCCC1)C2 ZINC001754784448 1440687275 /nfs/dbraw/zinc/68/72/75/1440687275.db2.gz ZYBFRVXMUKRAEV-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754796649 1440689636 /nfs/dbraw/zinc/68/96/36/1440689636.db2.gz FFLYXLVNWORJDG-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001754824215 1440693313 /nfs/dbraw/zinc/69/33/13/1440693313.db2.gz NZERLNCHCFSRPG-PXNSSMCTSA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001754916248 1440708691 /nfs/dbraw/zinc/70/86/91/1440708691.db2.gz RVSVUPLGTHMVBS-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001754982642 1440721735 /nfs/dbraw/zinc/72/17/35/1440721735.db2.gz LURNJLQUUMAHOZ-QZTJIDSGSA-N 2 0 335.536 3.212 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001755028450 1440730214 /nfs/dbraw/zinc/73/02/14/1440730214.db2.gz FHEILJWWVCCSPL-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755029370 1440730520 /nfs/dbraw/zinc/73/05/20/1440730520.db2.gz WHBDSWMSOILBMG-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755029374 1440730606 /nfs/dbraw/zinc/73/06/06/1440730606.db2.gz WHBDSWMSOILBMG-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001755031302 1440731522 /nfs/dbraw/zinc/73/15/22/1440731522.db2.gz OOACDUVOPXBSJL-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001755043345 1440738889 /nfs/dbraw/zinc/73/88/89/1440738889.db2.gz SNIWQPJOKFDENV-ICSRJNTNSA-N 2 0 345.531 3.260 20 0 EGADRP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001755129168 1440756856 /nfs/dbraw/zinc/75/68/56/1440756856.db2.gz GOVAIJJVTJVPAA-LJQANCHMSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755135793 1440758166 /nfs/dbraw/zinc/75/81/66/1440758166.db2.gz DIDSWVDGGQMPAR-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](C(=O)NC1CC(C[NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001755217844 1440784228 /nfs/dbraw/zinc/78/42/28/1440784228.db2.gz JLYQJWWDNWUMML-KKXNLOMOSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H](C)[NH2+]CCC1CCCC1 ZINC001755262841 1440795169 /nfs/dbraw/zinc/79/51/69/1440795169.db2.gz NHGYENYFVYYGKS-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001755276599 1440799262 /nfs/dbraw/zinc/79/92/62/1440799262.db2.gz OHGUOCLXFGLUNT-QHGAOEGBSA-N 2 0 345.531 3.449 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(C)cc2)CCCCC1 ZINC001755355738 1440829333 /nfs/dbraw/zinc/82/93/33/1440829333.db2.gz RZTOGXYVSMVZCC-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001755366282 1440834594 /nfs/dbraw/zinc/83/45/94/1440834594.db2.gz OOSZLHBSYSHAPY-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755366908 1440835267 /nfs/dbraw/zinc/83/52/67/1440835267.db2.gz AFTLXRAYOGKREW-XOIGSVRCSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001755454277 1440854985 /nfs/dbraw/zinc/85/49/85/1440854985.db2.gz ZBGPLLHKNMHKBX-PXYFQHJDSA-N 2 0 347.547 3.044 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001755470937 1440858831 /nfs/dbraw/zinc/85/88/31/1440858831.db2.gz GOSSACOABWCACD-XLAORIBOSA-N 2 0 337.552 3.027 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001755480931 1440860080 /nfs/dbraw/zinc/86/00/80/1440860080.db2.gz ROMKBACYSDIPSM-SXWQNMERSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC([N@H+](C)CCCC(C)(C)C)CC2)CCC1 ZINC001755530864 1440867424 /nfs/dbraw/zinc/86/74/24/1440867424.db2.gz ROCILZDVYRRYAM-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccc(C)cc2C)CC1 ZINC001755535359 1440869134 /nfs/dbraw/zinc/86/91/34/1440869134.db2.gz HCWJEOJSDQYBQO-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001755593287 1440882068 /nfs/dbraw/zinc/88/20/68/1440882068.db2.gz VALMOIKUZAURHS-ROUUACIJSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001755617620 1440889478 /nfs/dbraw/zinc/88/94/78/1440889478.db2.gz CTMYWQYZMSUAKJ-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001755662787 1440893013 /nfs/dbraw/zinc/89/30/13/1440893013.db2.gz HDMXEHLVXLGLBM-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccccc1C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001755722763 1440908217 /nfs/dbraw/zinc/90/82/17/1440908217.db2.gz SYOZJAUVZCMMDF-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001755738553 1440911310 /nfs/dbraw/zinc/91/13/10/1440911310.db2.gz UKMBRFZKHQQEBR-IFEVLTCRSA-N 2 0 347.547 3.093 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001755757580 1440914311 /nfs/dbraw/zinc/91/43/11/1440914311.db2.gz NVUIZFYSNVHFJA-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001755839890 1440931239 /nfs/dbraw/zinc/93/12/39/1440931239.db2.gz NHBMCGFQWGVONE-QZTJIDSGSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001755850894 1440934861 /nfs/dbraw/zinc/93/48/61/1440934861.db2.gz MNNJKNPJSPXLNF-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824584772 946832666 /nfs/dbraw/zinc/83/26/66/946832666.db2.gz HAPFTPWIMHLASH-CVEARBPZSA-N 2 0 342.491 3.172 20 0 EGADRP CSc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000368329238 168343423 /nfs/dbraw/zinc/34/34/23/168343423.db2.gz CICOFYUWZDNSLO-UHFFFAOYSA-N 2 0 347.572 3.258 20 0 EGADRP CC[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530560 168369121 /nfs/dbraw/zinc/36/91/21/168369121.db2.gz NLRVELWZHQJGAW-QUCCMNQESA-N 2 0 326.488 3.373 20 0 EGADRP Cn1ccnc1[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531158 168369230 /nfs/dbraw/zinc/36/92/30/168369230.db2.gz TYYMLWXISNIQDK-CTNGQTDRSA-N 2 0 338.499 3.373 20 0 EGADRP Fc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000414983332 309112712 /nfs/dbraw/zinc/11/27/12/309112712.db2.gz ZMNDTVNAUPSCGL-CYBMUJFWSA-N 2 0 334.357 3.389 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)[NH+]2CCCC2)o1 ZINC000184232022 235341598 /nfs/dbraw/zinc/34/15/98/235341598.db2.gz WGQXIZYGVYOWJO-QGZVFWFLSA-N 2 0 347.503 3.140 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC000359369575 283319308 /nfs/dbraw/zinc/31/93/08/283319308.db2.gz HRDXGCAJTNDDTH-WOJBJXKFSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268775872 291145335 /nfs/dbraw/zinc/14/53/35/291145335.db2.gz VTUWREHBNUHQLY-FXAWDEMLSA-N 2 0 327.516 3.256 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189784679 237247805 /nfs/dbraw/zinc/24/78/05/237247805.db2.gz ZRPGQWQUNJRKIA-UHFFFAOYSA-N 2 0 344.478 3.234 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000221900582 201032037 /nfs/dbraw/zinc/03/20/37/201032037.db2.gz DRHOZISCJCUKSI-GDIGMMSISA-N 2 0 344.503 3.494 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000269003476 201227319 /nfs/dbraw/zinc/22/73/19/201227319.db2.gz PVOHNUYHTOZQFC-SNVBAGLBSA-N 2 0 335.250 3.240 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000071895952 203140121 /nfs/dbraw/zinc/14/01/21/203140121.db2.gz ZZVNGRLFKIMDNQ-UHFFFAOYSA-N 2 0 327.472 3.338 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000121327383 204794249 /nfs/dbraw/zinc/79/42/49/204794249.db2.gz ODOGMRLSOIYSMD-CVEARBPZSA-N 2 0 346.544 3.221 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cnn(C)c1 ZINC000125448588 205010981 /nfs/dbraw/zinc/01/09/81/205010981.db2.gz DRWNMHZBQBYLFR-SFHVURJKSA-N 2 0 332.517 3.435 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C[NH+]1CCCCC1 ZINC000125601291 205017309 /nfs/dbraw/zinc/01/73/09/205017309.db2.gz VYJUWXMKJZDHQI-IAGOWNOFSA-N 2 0 345.487 3.416 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000125804877 205026718 /nfs/dbraw/zinc/02/67/18/205026718.db2.gz WUEDDZBMTUUWDE-RBUKOAKNSA-N 3 0 347.547 3.398 20 0 EGADRP C[C@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000127823550 205119217 /nfs/dbraw/zinc/11/92/17/205119217.db2.gz OLLTYRXSVOKLPQ-MRXNPFEDSA-N 2 0 333.495 3.077 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000127421603 205099711 /nfs/dbraw/zinc/09/97/11/205099711.db2.gz MBRPIEGGTWIMEY-OLZOCXBDSA-N 2 0 330.303 3.280 20 0 EGADRP C[C@H](CCSc1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129783376 205210157 /nfs/dbraw/zinc/21/01/57/205210157.db2.gz FTJNYGBPKXCOIH-GOSISDBHSA-N 2 0 335.561 3.127 20 0 EGADRP CC[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](C)C1 ZINC000131732652 205301231 /nfs/dbraw/zinc/30/12/31/205301231.db2.gz IWVSSZVDIFHGLC-VQIMIIECSA-N 2 0 333.545 3.378 20 0 EGADRP C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156873955 206104555 /nfs/dbraw/zinc/10/45/55/206104555.db2.gz YITNKIOWUZAOLT-DNVCBOLYSA-N 2 0 348.512 3.247 20 0 EGADRP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000157457404 206136683 /nfs/dbraw/zinc/13/66/83/206136683.db2.gz HILOLZRHSFGDAA-UHFFFAOYSA-N 2 0 348.535 3.008 20 0 EGADRP COc1cccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000158586574 206199644 /nfs/dbraw/zinc/19/96/44/206199644.db2.gz RFDICSRJIVOUIS-OXQOHEQNSA-N 2 0 330.472 3.023 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CCN(Cc3cc4ccccc4s3)CC2)C1 ZINC000378357720 169107298 /nfs/dbraw/zinc/10/72/98/169107298.db2.gz WQMOBBGXRRDHQF-KRWDZBQOSA-N 2 0 329.513 3.113 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000262148055 284820076 /nfs/dbraw/zinc/82/00/76/284820076.db2.gz FQKVPETYXSZBJT-UXHICEINSA-N 2 0 339.483 3.194 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)C1 ZINC000174269854 207004574 /nfs/dbraw/zinc/00/45/74/207004574.db2.gz IICDZUNMAOJKSF-INIZCTEOSA-N 2 0 328.456 3.294 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000174956047 207075220 /nfs/dbraw/zinc/07/52/20/207075220.db2.gz CGCCFKKVNKUYEM-HNNXBMFYSA-N 2 0 337.895 3.332 20 0 EGADRP C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374230 207328837 /nfs/dbraw/zinc/32/88/37/207328837.db2.gz ZISUBIZYNZDIIA-CQSZACIVSA-N 2 0 341.902 3.498 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](CC)CC)cc1)c1cnn(C)c1 ZINC000268772228 252221332 /nfs/dbraw/zinc/22/13/32/252221332.db2.gz MFQWAOCOCZMEKD-HXUWFJFHSA-N 2 0 344.503 3.382 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000268818089 252268717 /nfs/dbraw/zinc/26/87/17/252268717.db2.gz NBNGTRAQZPNUNX-MBOZVWFJSA-N 2 0 334.504 3.058 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000268806934 252260240 /nfs/dbraw/zinc/26/02/40/252260240.db2.gz JIVOGDJOTLAQIC-NFAWXSAZSA-N 2 0 344.425 3.221 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228654073 285098600 /nfs/dbraw/zinc/09/86/00/285098600.db2.gz JMUIHTSHYOSONL-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)cc1 ZINC000337583741 285249395 /nfs/dbraw/zinc/24/93/95/285249395.db2.gz QBIGKRWQVVUNFR-HXUWFJFHSA-N 2 0 345.531 3.298 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095422258 285289788 /nfs/dbraw/zinc/28/97/88/285289788.db2.gz MQIZFJNWHJYANY-IEBWSBKVSA-N 2 0 344.499 3.259 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000237523926 141006349 /nfs/dbraw/zinc/00/63/49/141006349.db2.gz KAOOLWXGFOWPFO-KRWDZBQOSA-N 2 0 343.515 3.339 20 0 EGADRP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246505063 141013385 /nfs/dbraw/zinc/01/33/85/141013385.db2.gz QDZFQHDXTQIXSJ-SFNKJDCFSA-N 2 0 345.531 3.195 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000246554552 141015379 /nfs/dbraw/zinc/01/53/79/141015379.db2.gz WTJQWHGVOVNWJR-QHAWAJNXSA-N 2 0 328.500 3.422 20 0 EGADRP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246570834 141015861 /nfs/dbraw/zinc/01/58/61/141015861.db2.gz LJPLLMZCDFDARJ-FXAWDEMLSA-N 2 0 328.456 3.061 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(OCC[NH+](C)C)c1 ZINC000246956058 141046144 /nfs/dbraw/zinc/04/61/44/141046144.db2.gz HPMRWTFYHLJKHV-OBZTUIKSSA-N 2 0 332.488 3.235 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1ccccc1 ZINC000346629420 141207615 /nfs/dbraw/zinc/20/76/15/141207615.db2.gz VVYHMDHZHHTGFX-AZUAARDMSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000359646042 141396673 /nfs/dbraw/zinc/39/66/73/141396673.db2.gz JZPXGGKIGRVURG-CQSZACIVSA-N 2 0 344.425 3.044 20 0 EGADRP Cc1nc(C)c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000172774641 144027976 /nfs/dbraw/zinc/02/79/76/144027976.db2.gz PIJHOSNNRJEHLF-KBPBESRZSA-N 2 0 337.533 3.081 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]cc3C)C2)cc(OC)c1 ZINC000192676667 144177481 /nfs/dbraw/zinc/17/74/81/144177481.db2.gz FRTGZXXSNKDPJH-MRXNPFEDSA-N 2 0 327.428 3.094 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCSCC[C@@H]2C)CC1 ZINC000361645781 144342287 /nfs/dbraw/zinc/34/22/87/144342287.db2.gz TVMNTWRGCQYWBB-KRWDZBQOSA-N 2 0 333.545 3.156 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000122224707 152397986 /nfs/dbraw/zinc/39/79/86/152397986.db2.gz XDOJCAVTULJDSX-UHFFFAOYSA-N 2 0 325.522 3.022 20 0 EGADRP CC[C@](C)([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1nc(C)cs1 ZINC000191579722 153207051 /nfs/dbraw/zinc/20/70/51/153207051.db2.gz XLVXMGSVFPKLHD-SFHVURJKSA-N 2 0 338.565 3.082 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000192839645 153264212 /nfs/dbraw/zinc/26/42/12/153264212.db2.gz GTFTYYAALXEYFR-ALOPSCKCSA-N 2 0 332.488 3.196 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236684568 153460102 /nfs/dbraw/zinc/46/01/02/153460102.db2.gz KRYQVGWCVGDKKD-UHFFFAOYSA-N 2 0 345.531 3.300 20 0 EGADRP [NH3+]CCC[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000310035765 154138849 /nfs/dbraw/zinc/13/88/49/154138849.db2.gz KYBXMBMMBTVVLS-UHFFFAOYSA-N 2 0 329.419 3.005 20 0 EGADRP C[NH+](C)CCOc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000326945368 154186866 /nfs/dbraw/zinc/18/68/66/154186866.db2.gz YYHSZGVUOBWUJF-UHFFFAOYSA-N 2 0 340.471 3.103 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000337382132 154322681 /nfs/dbraw/zinc/32/26/81/154322681.db2.gz JQEAFFDOXHVLMO-HOTGVXAUSA-N 2 0 332.488 3.017 20 0 EGADRP Cc1ccc(-n2ccnc2)c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000345507004 156130031 /nfs/dbraw/zinc/13/00/31/156130031.db2.gz MFRCWAULXUZWMN-CALCHBBNSA-N 2 0 340.471 3.173 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346820730 156150573 /nfs/dbraw/zinc/15/05/73/156150573.db2.gz IGXMLMOBTZJNEC-CEWLAPEOSA-N 2 0 338.499 3.026 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346820732 156151074 /nfs/dbraw/zinc/15/10/74/156151074.db2.gz IGXMLMOBTZJNEC-SESVDKBCSA-N 2 0 338.499 3.026 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000346823011 156152638 /nfs/dbraw/zinc/15/26/38/156152638.db2.gz JTGXXJFQEMWRMO-QANKJYHBSA-N 2 0 344.890 3.300 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@H]21 ZINC000346851304 156165118 /nfs/dbraw/zinc/16/51/18/156165118.db2.gz VUGLJNQSPQBZOF-HDMKZQKVSA-N 2 0 333.907 3.499 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000347004063 156239734 /nfs/dbraw/zinc/23/97/34/156239734.db2.gz NFIAUZRIWNXQQX-UHFFFAOYSA-N 2 0 345.531 3.225 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000347004638 156240000 /nfs/dbraw/zinc/24/00/00/156240000.db2.gz AHPRGIXUUJZFLZ-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP CN(CC[N@H+](C)Cc1cc2cc(F)ccc2o1)C1CC[NH+](C)CC1 ZINC000349058916 156336476 /nfs/dbraw/zinc/33/64/76/156336476.db2.gz AEZUZHGQLXFJEF-UHFFFAOYSA-N 2 0 333.451 3.030 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352650932 156399426 /nfs/dbraw/zinc/39/94/26/156399426.db2.gz BJJYTUPMJWXVMK-DLBZAZTESA-N 2 0 345.487 3.122 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000368708445 157270194 /nfs/dbraw/zinc/27/01/94/157270194.db2.gz UNFADPPWJNYVED-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000368714061 157270972 /nfs/dbraw/zinc/27/09/72/157270972.db2.gz HCKKFBYKPQMNJB-LJQANCHMSA-N 2 0 334.479 3.070 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000354035059 165951999 /nfs/dbraw/zinc/95/19/99/165951999.db2.gz VIGXQIGLDKTKLU-UHFFFAOYSA-N 2 0 326.431 3.288 20 0 EGADRP C[N@H+](CCc1cccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1)C1CC1 ZINC000128676883 162331152 /nfs/dbraw/zinc/33/11/52/162331152.db2.gz WCDZKEBZPPTADK-FQEVSTJZSA-N 2 0 341.499 3.136 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000131330454 162397446 /nfs/dbraw/zinc/39/74/46/162397446.db2.gz HJZKTJHNGSBAIV-GOSISDBHSA-N 2 0 332.536 3.146 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000248824858 163036461 /nfs/dbraw/zinc/03/64/61/163036461.db2.gz ZWVKHCAQHBOWME-MXEMCNAFSA-N 2 0 340.511 3.098 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000354311814 166001223 /nfs/dbraw/zinc/00/12/23/166001223.db2.gz NXJDEKUOGZDKLP-POAQFYNOSA-N 2 0 345.531 3.282 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000354329581 166003841 /nfs/dbraw/zinc/00/38/41/166003841.db2.gz SDCRDABYKGJOED-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2ccccc21 ZINC000338695484 163321252 /nfs/dbraw/zinc/32/12/52/163321252.db2.gz QJVHTIYUXCHLPH-NSISKUIASA-N 2 0 344.499 3.490 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000338941005 163396118 /nfs/dbraw/zinc/39/61/18/163396118.db2.gz AEWRALKGXJAIQC-UHFFFAOYSA-N 2 0 345.531 3.448 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000343722647 164020158 /nfs/dbraw/zinc/02/01/58/164020158.db2.gz XHCVLIUNJMYYKR-SFHVURJKSA-N 2 0 345.531 3.074 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)c2ccccc21 ZINC000343727331 164021116 /nfs/dbraw/zinc/02/11/16/164021116.db2.gz STXWNPFGECFNKQ-ONZODILHSA-N 2 0 336.479 3.460 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(C3CCC3)s2)C[C@H](C)O1 ZINC000343803875 164038966 /nfs/dbraw/zinc/03/89/66/164038966.db2.gz GHQIEKXWQWZHQP-GJZGRUSLSA-N 2 0 337.533 3.390 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CCSCC1 ZINC000343975174 164076123 /nfs/dbraw/zinc/07/61/23/164076123.db2.gz GQIWQGIYDHRMHA-HNNXBMFYSA-N 2 0 337.533 3.033 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000343996850 164079609 /nfs/dbraw/zinc/07/96/09/164079609.db2.gz UCFSWYQPWSJHIZ-AWEZNQCLSA-N 2 0 341.446 3.326 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccc(Cl)c2cccnc12)CC[NH+](C)C ZINC000344012373 164082406 /nfs/dbraw/zinc/08/24/06/164082406.db2.gz BTMCGFFCHNENCT-UHFFFAOYSA-N 2 0 348.922 3.204 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(N2CCCCCC2)nc1)[NH+](CC)CC ZINC000345780320 164264444 /nfs/dbraw/zinc/26/44/44/164264444.db2.gz DPLNSIXJLMYLJI-SFHVURJKSA-N 2 0 346.519 3.199 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+](CC)CC ZINC000345790873 164266356 /nfs/dbraw/zinc/26/63/56/164266356.db2.gz TVDQLWDIQVZYFL-FQEVSTJZSA-N 2 0 345.531 3.409 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000345915441 164293622 /nfs/dbraw/zinc/29/36/22/164293622.db2.gz YMXNRKRAUDGXPE-ROUUACIJSA-N 2 0 345.531 3.472 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000350674977 165067115 /nfs/dbraw/zinc/06/71/15/165067115.db2.gz FOKQEDHSCGJQCX-RBUKOAKNSA-N 2 0 331.504 3.106 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000351620691 165104328 /nfs/dbraw/zinc/10/43/28/165104328.db2.gz QRIYLRCZGVIXGJ-IEBWSBKVSA-N 2 0 329.488 3.212 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000352178397 165269988 /nfs/dbraw/zinc/26/99/88/165269988.db2.gz MPQSTPAASWOCRG-DLBZAZTESA-N 2 0 335.492 3.008 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccsc1 ZINC000355410747 166189508 /nfs/dbraw/zinc/18/95/08/166189508.db2.gz RLPLAZUQZIJEKB-YQQAZPJKSA-N 2 0 337.533 3.120 20 0 EGADRP CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000359233165 167102578 /nfs/dbraw/zinc/10/25/78/167102578.db2.gz JUCDXRBCSVAXEK-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000359471000 167165705 /nfs/dbraw/zinc/16/57/05/167165705.db2.gz KXDAWVGKSBVFOC-YQVWRLOYSA-N 2 0 348.535 3.097 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000359567342 167196551 /nfs/dbraw/zinc/19/65/51/167196551.db2.gz WZZDMWGTYVZIHT-RYQLBKOJSA-N 2 0 347.503 3.232 20 0 EGADRP Cc1nccn1CCCC[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000360215091 167273792 /nfs/dbraw/zinc/27/37/92/167273792.db2.gz ZKQNJOQKDJPPPI-UHFFFAOYSA-N 2 0 328.460 3.219 20 0 EGADRP Cc1cc(NCC2([NH+]3CCCC3)CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000360677205 167385712 /nfs/dbraw/zinc/38/57/12/167385712.db2.gz WREUBYQMZODPRN-UHFFFAOYSA-N 2 0 343.446 3.161 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000365940831 168062681 /nfs/dbraw/zinc/06/26/81/168062681.db2.gz KKFCVQCOGXRKSD-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H](NCc1cnc2n1CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436619 168224819 /nfs/dbraw/zinc/22/48/19/168224819.db2.gz GNRYQWPDGKTMBY-MJGOQNOKSA-N 2 0 338.499 3.220 20 0 EGADRP c1c[nH]c([C@@H](NCc2ccc(-n3ccnc3)nc2)C2CCCCC2)n1 ZINC000367629331 168252418 /nfs/dbraw/zinc/25/24/18/168252418.db2.gz BAJOJIXEWNQBKL-SFHVURJKSA-N 2 0 336.443 3.402 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000367681534 168258046 /nfs/dbraw/zinc/25/80/46/168258046.db2.gz CQSQVMBHLNVDHX-SFHVURJKSA-N 2 0 332.536 3.419 20 0 EGADRP Cn1cncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368091045 168309199 /nfs/dbraw/zinc/30/91/99/168309199.db2.gz VFAKGGAHOIEINJ-HMXCVIKNSA-N 2 0 338.499 3.201 20 0 EGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000177201794 265239063 /nfs/dbraw/zinc/23/90/63/265239063.db2.gz OXBHEDMFQYFETM-SFHVURJKSA-N 2 0 349.906 3.109 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(Br)c2)CN1C1CC1 ZINC000177927419 265288023 /nfs/dbraw/zinc/28/80/23/265288023.db2.gz NPCNSSNMAAMYAS-TZMCWYRMSA-N 2 0 339.277 3.043 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000179475124 265379789 /nfs/dbraw/zinc/37/97/89/265379789.db2.gz CZNSGDWKDCKPLC-RTLBZRNLSA-N 2 0 333.907 3.065 20 0 EGADRP Clc1ccc(/C=C/C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000180116107 265395318 /nfs/dbraw/zinc/39/53/18/265395318.db2.gz HROYYBXROYHLOC-OWOJBTEDSA-N 2 0 334.891 3.397 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[N@@H+]1C ZINC000230975526 266205211 /nfs/dbraw/zinc/20/52/11/266205211.db2.gz ZLTUMOJZTDZEFX-HUUCEWRRSA-N 2 0 327.513 3.094 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])[NH+]2CCCC2)o1 ZINC000237622302 266238317 /nfs/dbraw/zinc/23/83/17/266238317.db2.gz KCDXEPUUDSRKJN-SQNIBIBYSA-N 2 0 347.503 3.139 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000274802229 267289038 /nfs/dbraw/zinc/28/90/38/267289038.db2.gz NFFGNIAFAMWWRD-INIZCTEOSA-N 2 0 331.504 3.430 20 0 EGADRP Cc1n[nH]cc1CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274897682 267302969 /nfs/dbraw/zinc/30/29/69/267302969.db2.gz KPLKCKOKJDVBST-OXQOHEQNSA-N 2 0 326.488 3.151 20 0 EGADRP C[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000275562465 267381796 /nfs/dbraw/zinc/38/17/96/267381796.db2.gz BHZYQBWIWDHVMM-QGZVFWFLSA-N 2 0 346.519 3.034 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000275633245 267395471 /nfs/dbraw/zinc/39/54/71/267395471.db2.gz AIPXAUGHGYRKEQ-FQEVSTJZSA-N 2 0 347.547 3.099 20 0 EGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000353513272 274210658 /nfs/dbraw/zinc/21/06/58/274210658.db2.gz FIIJEZXVHOOTDE-YJBOKZPZSA-N 2 0 340.458 3.112 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180716451 275203736 /nfs/dbraw/zinc/20/37/36/275203736.db2.gz OVKMMUCYHDXTMT-SJJHQCBESA-N 2 0 339.524 3.285 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000185716458 275216528 /nfs/dbraw/zinc/21/65/28/275216528.db2.gz LDNJSAKVGZLDQO-XIHRTOKZSA-N 2 0 344.499 3.074 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263281622 275233450 /nfs/dbraw/zinc/23/34/50/275233450.db2.gz UICVPSPGPJELGG-ICSRJNTNSA-N 2 0 331.504 3.052 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272354804 275244421 /nfs/dbraw/zinc/24/44/21/275244421.db2.gz PBOYOYIFRMVNRF-HXUWFJFHSA-N 2 0 345.506 3.377 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279520772 275336880 /nfs/dbraw/zinc/33/68/80/275336880.db2.gz OIXGWOMCSYSWGF-IBGZPJMESA-N 2 0 327.472 3.238 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000279969061 275384231 /nfs/dbraw/zinc/38/42/31/275384231.db2.gz XKMVDUBJBFMAMO-HKUYNNGSSA-N 2 0 343.515 3.288 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)cc2)CC1 ZINC000284417735 275799176 /nfs/dbraw/zinc/79/91/76/275799176.db2.gz QYVCBOMWYPKWCG-ZCNNSNEGSA-N 2 0 344.499 3.063 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000373507906 276064304 /nfs/dbraw/zinc/06/43/04/276064304.db2.gz CUXRDNGOCCSQFU-HNJRGHQBSA-N 2 0 343.515 3.059 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000354107532 276100390 /nfs/dbraw/zinc/10/03/90/276100390.db2.gz QSYJZCUDOGRBIR-QGZVFWFLSA-N 2 0 340.895 3.281 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000287351007 276111036 /nfs/dbraw/zinc/11/10/36/276111036.db2.gz GULXBPACMPALBV-AHJNKEMKSA-N 2 0 342.527 3.428 20 0 EGADRP FC(F)(F)[C@H]1C[C@H]([NH2+]CCCN2CCc3ccccc3C2)CCO1 ZINC000287691650 276148020 /nfs/dbraw/zinc/14/80/20/276148020.db2.gz NDWIGXBNWIDSNH-IAGOWNOFSA-N 2 0 342.405 3.134 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)CC1 ZINC000161683697 276194851 /nfs/dbraw/zinc/19/48/51/276194851.db2.gz QSHNDADNDNDLEK-UHFFFAOYSA-N 2 0 336.520 3.305 20 0 EGADRP CC(=O)Nc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000288352483 276205189 /nfs/dbraw/zinc/20/51/89/276205189.db2.gz CGBUAQZCQKIEAA-IERDGZPVSA-N 2 0 337.467 3.398 20 0 EGADRP COCCOCc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000289145503 276296511 /nfs/dbraw/zinc/29/65/11/276296511.db2.gz PUAAAJHVLGKWLM-UHFFFAOYSA-N 2 0 334.504 3.154 20 0 EGADRP Cc1cnn(C)c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000289441443 276339623 /nfs/dbraw/zinc/33/96/23/276339623.db2.gz WMVCHYIPPLAFPA-UHFFFAOYSA-N 2 0 326.488 3.073 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000289556696 276357718 /nfs/dbraw/zinc/35/77/18/276357718.db2.gz YEKCNEPDYISELY-NHCUHLMSSA-N 2 0 329.532 3.066 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000137693005 276383199 /nfs/dbraw/zinc/38/31/99/276383199.db2.gz GHXLXGBBGXJFMV-KRWDZBQOSA-N 2 0 347.503 3.220 20 0 EGADRP COCCOCc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000289726929 276384415 /nfs/dbraw/zinc/38/44/15/276384415.db2.gz MJFDCVRAVXEOGU-UHFFFAOYSA-N 2 0 334.504 3.061 20 0 EGADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290338933 276482290 /nfs/dbraw/zinc/48/22/90/276482290.db2.gz PIRMQVBHWCNEJU-MRXNPFEDSA-N 2 0 331.460 3.116 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000292164697 276743593 /nfs/dbraw/zinc/74/35/93/276743593.db2.gz VKPOMBARLVFYPV-QZTJIDSGSA-N 2 0 349.906 3.125 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000294689612 277023636 /nfs/dbraw/zinc/02/36/36/277023636.db2.gz IMENGZNHGRNEJD-LBPRGKRZSA-N 2 0 327.291 3.349 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC[N@@H+]1C ZINC000151162894 278024966 /nfs/dbraw/zinc/02/49/66/278024966.db2.gz NXOQWGANGUODGV-CRAIPNDOSA-N 2 0 336.907 3.461 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C[NH+]1CCCC1 ZINC000165276783 278208900 /nfs/dbraw/zinc/20/89/00/278208900.db2.gz YQACAZCSYRMGCJ-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000348383858 278275280 /nfs/dbraw/zinc/27/52/80/278275280.db2.gz UEJLTTQHSJZUAQ-AYDFFVQHSA-N 2 0 334.426 3.339 20 0 EGADRP CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000361173938 288080338 /nfs/dbraw/zinc/08/03/38/288080338.db2.gz PCLKHDHZUKLRKN-MDZRGWNJSA-N 2 0 349.494 3.043 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000340586146 279045682 /nfs/dbraw/zinc/04/56/82/279045682.db2.gz JZSOSRRAIDJIBF-UXHICEINSA-N 2 0 339.483 3.099 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000338163885 279136933 /nfs/dbraw/zinc/13/69/33/279136933.db2.gz VWAZZDFHSCFLKQ-ZWKOTPCHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1)C(C)C ZINC000262584315 279234812 /nfs/dbraw/zinc/23/48/12/279234812.db2.gz NOKXWITYCPKFGU-LPHOPBHVSA-N 2 0 331.504 3.116 20 0 EGADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000360122729 279379096 /nfs/dbraw/zinc/37/90/96/279379096.db2.gz FMQWGLRWDHJRGF-KRWDZBQOSA-N 2 0 340.556 3.059 20 0 EGADRP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361173110 281383886 /nfs/dbraw/zinc/38/38/86/281383886.db2.gz AHXIBOVJOGWHPQ-QUCCMNQESA-N 2 0 345.531 3.259 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000346882618 282023956 /nfs/dbraw/zinc/02/39/56/282023956.db2.gz YOXYWAKVCIYGKL-AEFFLSMTSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1cccnc1[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000191574142 302246439 /nfs/dbraw/zinc/24/64/39/302246439.db2.gz WIEYEEACAOQZQB-LJQANCHMSA-N 2 0 332.536 3.093 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000051589523 307331375 /nfs/dbraw/zinc/33/13/75/307331375.db2.gz ILWKYKYUYUXFOL-QGZVFWFLSA-N 2 0 331.504 3.019 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000090524639 307459981 /nfs/dbraw/zinc/45/99/81/307459981.db2.gz CCCTUIOZPKIHPF-ZWYXMNJBSA-N 2 0 332.532 3.169 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000414063642 309058505 /nfs/dbraw/zinc/05/85/05/309058505.db2.gz DZIKODGEOSSFQE-KURKYZTESA-N 2 0 333.520 3.369 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414063640 309058568 /nfs/dbraw/zinc/05/85/68/309058568.db2.gz DZIKODGEOSSFQE-KSZLIROESA-N 2 0 333.520 3.369 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1 ZINC000414082168 309059888 /nfs/dbraw/zinc/05/98/88/309059888.db2.gz FMKNHHXGJBIIJI-IAGOWNOFSA-N 2 0 332.488 3.155 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000132557288 307659693 /nfs/dbraw/zinc/65/96/93/307659693.db2.gz OVWTVSZEXGZHNR-VXKWHMMOSA-N 2 0 343.559 3.178 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000414186924 309065531 /nfs/dbraw/zinc/06/55/31/309065531.db2.gz PUKQKJMFFOPAKE-SJLPKXTDSA-N 2 0 341.503 3.267 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C12CCC2 ZINC000414198746 309066397 /nfs/dbraw/zinc/06/63/97/309066397.db2.gz WJOYCKXXSXIWTN-KFKAGJAMSA-N 2 0 332.488 3.235 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)c(Cl)c1 ZINC000154395252 307794098 /nfs/dbraw/zinc/79/40/98/307794098.db2.gz GXYMOQCIKZXZCT-CQSZACIVSA-N 2 0 327.875 3.157 20 0 EGADRP CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000414251504 309068879 /nfs/dbraw/zinc/06/88/79/309068879.db2.gz YICIKHBYHKIOSF-FTRWYGJKSA-N 2 0 334.504 3.481 20 0 EGADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000414309221 309072266 /nfs/dbraw/zinc/07/22/66/309072266.db2.gz JCJAKRRUSDMGRF-QGZVFWFLSA-N 2 0 334.479 3.288 20 0 EGADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163527056 307923093 /nfs/dbraw/zinc/92/30/93/307923093.db2.gz CNKCRZVYNGXNCV-HZPDHXFCSA-N 2 0 337.552 3.027 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000164957439 307928685 /nfs/dbraw/zinc/92/86/85/307928685.db2.gz CSEUZKQWJYDBPI-RBUKOAKNSA-N 2 0 331.504 3.093 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000414429752 309079422 /nfs/dbraw/zinc/07/94/22/309079422.db2.gz IBSRZGCURHWQMC-OAHLLOKOSA-N 2 0 343.437 3.129 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000255173809 308043077 /nfs/dbraw/zinc/04/30/77/308043077.db2.gz QFQIKSSQKRRDEO-LGMDPLHJSA-N 2 0 325.456 3.215 20 0 EGADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc(OC)c1OC ZINC000292903084 308078187 /nfs/dbraw/zinc/07/81/87/308078187.db2.gz DXTNKBYWQZTZIS-UHFFFAOYSA-N 2 0 336.476 3.068 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000293081166 308097628 /nfs/dbraw/zinc/09/76/28/308097628.db2.gz VAMHYFFZNAREAJ-UHFFFAOYSA-N 2 0 336.430 3.280 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CCc3nccn3C2)cc1 ZINC000293366582 308124243 /nfs/dbraw/zinc/12/42/43/308124243.db2.gz HRKNDTZCARGISP-BXWFABGCSA-N 2 0 343.446 3.342 20 0 EGADRP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000293788579 308162024 /nfs/dbraw/zinc/16/20/24/308162024.db2.gz AGTLUKPLGYKXDB-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP OCc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293901453 308172097 /nfs/dbraw/zinc/17/20/97/308172097.db2.gz LEEOBWSONWFSNK-UHFFFAOYSA-N 2 0 340.467 3.260 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927594 308174755 /nfs/dbraw/zinc/17/47/55/308174755.db2.gz YMYZDIBTMDKBAG-NZSAHSFTSA-N 2 0 340.467 3.415 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000294212990 308200523 /nfs/dbraw/zinc/20/05/23/308200523.db2.gz MSSIAISDEKDIGT-HNNXBMFYSA-N 2 0 339.439 3.172 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2)c1 ZINC000294276682 308205897 /nfs/dbraw/zinc/20/58/97/308205897.db2.gz SIYFQCBBYVSJMN-UHFFFAOYSA-N 2 0 347.466 3.085 20 0 EGADRP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000294864924 308265634 /nfs/dbraw/zinc/26/56/34/308265634.db2.gz UERQCXJIQBRTPW-BVOGOJNSSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295108110 308291970 /nfs/dbraw/zinc/29/19/70/308291970.db2.gz LHICVOMVXPFGFD-PBHICJAKSA-N 2 0 344.421 3.073 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1ccccc1 ZINC000414664381 309094411 /nfs/dbraw/zinc/09/44/11/309094411.db2.gz SSOJTYZOQPSFIJ-LPHOPBHVSA-N 2 0 340.467 3.443 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000414677539 309095067 /nfs/dbraw/zinc/09/50/67/309095067.db2.gz WPCCCTBJHJNEAW-OKZBNKHCSA-N 2 0 332.488 3.433 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414723499 309097587 /nfs/dbraw/zinc/09/75/87/309097587.db2.gz POZILJIGTZSCNM-NUJGCVRESA-N 3 0 333.545 3.080 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414775125 309100085 /nfs/dbraw/zinc/10/00/85/309100085.db2.gz GFXGMFVAIWGKCN-INIZCTEOSA-N 2 0 342.405 3.201 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000414732506 309097927 /nfs/dbraw/zinc/09/79/27/309097927.db2.gz AIQFMPAWDQGNBO-JKIFEVAISA-N 2 0 340.414 3.049 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000414756002 309098922 /nfs/dbraw/zinc/09/89/22/309098922.db2.gz IPNQISMUOMZLSU-RYUDHWBXSA-N 2 0 329.257 3.408 20 0 EGADRP CN(C)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000297453083 308535194 /nfs/dbraw/zinc/53/51/94/308535194.db2.gz PJOUQNXMEJVCJC-FQEVSTJZSA-N 2 0 342.462 3.082 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC2CC[NH+](C3CC3)CC2)cc1 ZINC000297584514 308547965 /nfs/dbraw/zinc/54/79/65/308547965.db2.gz DQGQLKCHMOTMTE-UHFFFAOYSA-N 2 0 331.504 3.446 20 0 EGADRP c1ccc(-c2cnc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc2)cc1 ZINC000297768844 308562343 /nfs/dbraw/zinc/56/23/43/308562343.db2.gz VMECFEFZVPFJEI-UHFFFAOYSA-N 2 0 345.450 3.297 20 0 EGADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000414783430 309100805 /nfs/dbraw/zinc/10/08/05/309100805.db2.gz ZMQFAYANGIITRK-MXEMCNAFSA-N 2 0 328.500 3.325 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784228 309100974 /nfs/dbraw/zinc/10/09/74/309100974.db2.gz QZADKGXRIBGSDG-GJZGRUSLSA-N 2 0 328.485 3.027 20 0 EGADRP COc1ccc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414794669 309101805 /nfs/dbraw/zinc/10/18/05/309101805.db2.gz VLUMEQRQUZINEH-KRWDZBQOSA-N 2 0 340.467 3.036 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414806485 309102513 /nfs/dbraw/zinc/10/25/13/309102513.db2.gz QLDQWFZBXZXNEW-DZKIICNBSA-N 2 0 337.895 3.473 20 0 EGADRP c1oc(-c2ccccc2)nc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298522101 308621377 /nfs/dbraw/zinc/62/13/77/308621377.db2.gz RMKBIFGFZOERQT-UHFFFAOYSA-N 2 0 334.423 3.495 20 0 EGADRP c1ccc(N2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000298536688 308622762 /nfs/dbraw/zinc/62/27/62/308622762.db2.gz SOJZMCBVOLHZIE-UHFFFAOYSA-N 2 0 336.483 3.309 20 0 EGADRP COc1c(Br)cccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414815033 309103314 /nfs/dbraw/zinc/10/33/14/309103314.db2.gz ZUXZYCMYZKDDCC-RISCZKNCSA-N 2 0 327.266 3.065 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414830676 309104201 /nfs/dbraw/zinc/10/42/01/309104201.db2.gz CGOHBSLKWHKWQM-QWHCGFSZSA-N 2 0 343.284 3.499 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000390420054 308900901 /nfs/dbraw/zinc/90/09/01/308900901.db2.gz PRBUFTJYOCHKHT-PWRODBHTSA-N 2 0 338.499 3.332 20 0 EGADRP COC(=O)CC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411190233 308930196 /nfs/dbraw/zinc/93/01/96/308930196.db2.gz NPOWXPMPGSNJRF-UHFFFAOYSA-N 2 0 344.499 3.448 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000411342251 308935250 /nfs/dbraw/zinc/93/52/50/308935250.db2.gz RSRLYZNQXQTZKQ-FQEVSTJZSA-N 2 0 345.531 3.352 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000411449549 308939611 /nfs/dbraw/zinc/93/96/11/308939611.db2.gz MBQKJXCKQCZQCF-LJQANCHMSA-N 2 0 345.531 3.354 20 0 EGADRP [NH3+]C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000414855040 309105797 /nfs/dbraw/zinc/10/57/97/309105797.db2.gz VUKYXYPDEHLWLO-OAQYLSRUSA-N 2 0 329.532 3.191 20 0 EGADRP C[C@@H]1CN(Cc2nccn2CC(F)(F)F)c2cc(F)ccc2C[NH2+]1 ZINC000414872755 309106580 /nfs/dbraw/zinc/10/65/80/309106580.db2.gz QBVFJAYPNGRFGP-LLVKDONJSA-N 2 0 342.340 3.083 20 0 EGADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414878218 309106896 /nfs/dbraw/zinc/10/68/96/309106896.db2.gz ODLMMDUFSKRUEO-CYBMUJFWSA-N 2 0 331.847 3.277 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414888281 309107393 /nfs/dbraw/zinc/10/73/93/309107393.db2.gz FDVWUAIAONIXKL-QMMMGPOBSA-N 2 0 341.171 3.175 20 0 EGADRP [NH3+][C@@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000414889773 309107639 /nfs/dbraw/zinc/10/76/39/309107639.db2.gz LSOLXGGRCQDYEC-FQEVSTJZSA-N 2 0 330.422 3.446 20 0 EGADRP c1c(C[NH2+]CC[C@H]2CCC[NH2+]2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000414898947 309108208 /nfs/dbraw/zinc/10/82/08/309108208.db2.gz BCEHDYXSUVLSNX-LJQANCHMSA-N 2 0 347.466 3.166 20 0 EGADRP C[C@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC000414904390 309108529 /nfs/dbraw/zinc/10/85/29/309108529.db2.gz JWYLIPLTSOXYCI-IBGZPJMESA-N 2 0 335.923 3.284 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000414914540 309109033 /nfs/dbraw/zinc/10/90/33/309109033.db2.gz XRBONBXUYYDXFY-LBPRGKRZSA-N 2 0 344.299 3.387 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[NH2+]1 ZINC000414942497 309110351 /nfs/dbraw/zinc/11/03/51/309110351.db2.gz DOSJCJPOTZVPPM-TZMCWYRMSA-N 2 0 338.377 3.121 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414963134 309111807 /nfs/dbraw/zinc/11/18/07/309111807.db2.gz CQUJNNAOLYCVSF-FQEVSTJZSA-N 2 0 340.515 3.478 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414985335 309112890 /nfs/dbraw/zinc/11/28/90/309112890.db2.gz BFHMSJKSZDKOGM-AAEUAGOBSA-N 2 0 327.266 3.065 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414990291 309112975 /nfs/dbraw/zinc/11/29/75/309112975.db2.gz IFDBHNRRRHOOKF-SBDXKLHQSA-N 3 0 339.527 3.288 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(Br)cc1F ZINC000415001894 309113644 /nfs/dbraw/zinc/11/36/44/309113644.db2.gz YWUXIARXJOBLBD-NWSOVMFYSA-N 2 0 327.241 3.194 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000415006765 309114007 /nfs/dbraw/zinc/11/40/07/309114007.db2.gz ABTDAGBSSXYLBP-HUUCEWRRSA-N 2 0 339.911 3.184 20 0 EGADRP COc1cc(Br)c(C[NH2+][C@H](C)CCCC[NH3+])c(OC)c1 ZINC000415009260 309114158 /nfs/dbraw/zinc/11/41/58/309114158.db2.gz FDIXDPMWHUDDGQ-LLVKDONJSA-N 2 0 345.281 3.073 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000415010638 309114175 /nfs/dbraw/zinc/11/41/75/309114175.db2.gz PPKXBBOULQVKJL-SWLSCSKDSA-N 2 0 327.241 3.066 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000415012797 309114222 /nfs/dbraw/zinc/11/42/22/309114222.db2.gz XLWQQUHPEDPNGF-GJZGRUSLSA-N 2 0 349.906 3.052 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415014210 309114428 /nfs/dbraw/zinc/11/44/28/309114428.db2.gz LOSWGPBDQDUIAR-INIZCTEOSA-N 2 0 328.504 3.464 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000415015222 309114469 /nfs/dbraw/zinc/11/44/69/309114469.db2.gz NSJVMMDFLWKFEQ-HUUCEWRRSA-N 2 0 339.911 3.184 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000415022729 309114977 /nfs/dbraw/zinc/11/49/77/309114977.db2.gz JHYAINVBDXZDAP-HAQNSBGRSA-N 2 0 329.257 3.443 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000415042521 309116018 /nfs/dbraw/zinc/11/60/18/309116018.db2.gz QZNXHZBMZQHTQO-GXSJLCMTSA-N 2 0 349.219 3.268 20 0 EGADRP Brc1ccc(C2(C[NH2+]C[C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000415080839 309118839 /nfs/dbraw/zinc/11/88/39/309118839.db2.gz MEHGXDKNAWZVFJ-AWEZNQCLSA-N 2 0 337.305 3.460 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000415083830 309119157 /nfs/dbraw/zinc/11/91/57/309119157.db2.gz FUMWOIHOQUPYED-SCRDCRAPSA-N 2 0 341.293 3.496 20 0 EGADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000415086609 309119419 /nfs/dbraw/zinc/11/94/19/309119419.db2.gz JSTKCJBLCVAPCD-NSHDSACASA-N 2 0 329.307 3.271 20 0 EGADRP COc1ccc([C@H](C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)N2CCCCC2)cc1 ZINC000415088907 309119439 /nfs/dbraw/zinc/11/94/39/309119439.db2.gz VWRDOYICVYDFMM-LQWHRVPQSA-N 2 0 345.531 3.200 20 0 EGADRP Brc1ccc(C2(C[NH2+]CC3CC[NH2+]CC3)CCC2)cc1 ZINC000415089675 309119543 /nfs/dbraw/zinc/11/95/43/309119543.db2.gz ZFGBMNSDEKOKFS-UHFFFAOYSA-N 2 0 337.305 3.460 20 0 EGADRP COc1ccc(C2(C[NH2+]C[C@@]3(C)CC[NH2+]C3)CCCCC2)cc1OC ZINC000415091980 309119690 /nfs/dbraw/zinc/11/96/90/309119690.db2.gz ROOPRDCJFDXLBG-FQEVSTJZSA-N 2 0 346.515 3.495 20 0 EGADRP Clc1ccc(C2(C[NH2+]C3CC[NH2+]CC3)CCOCC2)c(Cl)c1 ZINC000415095429 309120028 /nfs/dbraw/zinc/12/00/28/309120028.db2.gz ZNIPJMMRBAQQRC-UHFFFAOYSA-N 2 0 343.298 3.383 20 0 EGADRP CC1(C)Cc2cc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)ccc2O1 ZINC000415104483 309120589 /nfs/dbraw/zinc/12/05/89/309120589.db2.gz GZLKOJPHADUIIQ-AZUAARDMSA-N 2 0 344.499 3.118 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]1 ZINC000415112851 309121091 /nfs/dbraw/zinc/12/10/91/309121091.db2.gz RBDMKIQDPJGIRN-ILXRZTDVSA-N 2 0 334.426 3.056 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)C1 ZINC000415122678 309121901 /nfs/dbraw/zinc/12/19/01/309121901.db2.gz KGCJGDJMMMRNCV-PZJWPPBQSA-N 2 0 344.499 3.194 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415126505 309122217 /nfs/dbraw/zinc/12/22/17/309122217.db2.gz PJWPTRGYRXBNBQ-QUCCMNQESA-N 2 0 332.488 3.192 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415130669 309122591 /nfs/dbraw/zinc/12/25/91/309122591.db2.gz RGHVWPYYBXJCBX-SFTDATJTSA-N 2 0 346.515 3.440 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415131073 309122633 /nfs/dbraw/zinc/12/26/33/309122633.db2.gz RUZRZAPRHUZPSO-WOJBJXKFSA-N 2 0 332.488 3.194 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415137704 309123230 /nfs/dbraw/zinc/12/32/30/309123230.db2.gz YHIVFZJBQVIIJD-UYAOXDASSA-N 2 0 332.488 3.192 20 0 EGADRP Cc1ccsc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415139403 309123425 /nfs/dbraw/zinc/12/34/25/309123425.db2.gz WUWGKMCQJPUDDB-UHFFFAOYSA-N 2 0 329.513 3.140 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000415904978 309147385 /nfs/dbraw/zinc/14/73/85/309147385.db2.gz HIGXTKKPQSURMA-YJBOKZPZSA-N 2 0 332.492 3.133 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000415909194 309147865 /nfs/dbraw/zinc/14/78/65/309147865.db2.gz SDXOVXVNRIHCTJ-SFHVURJKSA-N 2 0 332.492 3.134 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000415912151 309147935 /nfs/dbraw/zinc/14/79/35/309147935.db2.gz BGSHDFYZJZFDJY-IBGZPJMESA-N 2 0 340.471 3.221 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000415974333 309152356 /nfs/dbraw/zinc/15/23/56/309152356.db2.gz KQBVJKRCXJOKGK-QGZVFWFLSA-N 2 0 342.443 3.005 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000415985643 309152912 /nfs/dbraw/zinc/15/29/12/309152912.db2.gz SXBUBEYRNJKCNZ-KXBFYZLASA-N 2 0 340.471 3.219 20 0 EGADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417689209 309217983 /nfs/dbraw/zinc/21/79/83/309217983.db2.gz JUXVRKNWBCMKPU-INIZCTEOSA-N 2 0 346.519 3.029 20 0 EGADRP CCn1cncc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000417785376 309222136 /nfs/dbraw/zinc/22/21/36/309222136.db2.gz PLFQZZZGVWIXFX-UHFFFAOYSA-N 2 0 338.499 3.391 20 0 EGADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)n(C)n1 ZINC000417913588 309228078 /nfs/dbraw/zinc/22/80/78/309228078.db2.gz QDMYRSIMWHNUBQ-UHFFFAOYSA-N 2 0 346.906 3.384 20 0 EGADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCOCC[NH+](C)C ZINC000419675450 309270940 /nfs/dbraw/zinc/27/09/40/309270940.db2.gz ADDDTRBKRRLLAT-UHFFFAOYSA-N 2 0 342.483 3.338 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccc(OC)c(C)c2)cc1 ZINC000420314595 309281418 /nfs/dbraw/zinc/28/14/18/309281418.db2.gz ZCJWYENDXREFOB-GOSISDBHSA-N 2 0 328.456 3.187 20 0 EGADRP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420316589 309281438 /nfs/dbraw/zinc/28/14/38/309281438.db2.gz MPQKMVPIVNCNPC-OALUTQOASA-N 2 0 332.875 3.093 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000420319413 309281781 /nfs/dbraw/zinc/28/17/81/309281781.db2.gz PHGDXNWVWYVXCM-HOTGVXAUSA-N 2 0 331.485 3.074 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325293 309282389 /nfs/dbraw/zinc/28/23/89/309282389.db2.gz BKXZBEIYMKRASF-YESZJQIVSA-N 2 0 329.488 3.068 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000420330762 309282610 /nfs/dbraw/zinc/28/26/10/309282610.db2.gz BRQKLIKDVXZKLD-APWZRJJASA-N 2 0 329.488 3.094 20 0 EGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420331113 309282649 /nfs/dbraw/zinc/28/26/49/309282649.db2.gz BOAZGKKXQRSGPU-ROUUACIJSA-N 2 0 337.467 3.100 20 0 EGADRP CCC[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420337117 309282973 /nfs/dbraw/zinc/28/29/73/309282973.db2.gz JKSLLBBDCLLXLW-WOJBJXKFSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344933 309283518 /nfs/dbraw/zinc/28/35/18/309283518.db2.gz VAZNIAFEJYRDOX-ZWKOTPCHSA-N 2 0 329.488 3.070 20 0 EGADRP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000420359432 309284174 /nfs/dbraw/zinc/28/41/74/309284174.db2.gz KMEQJFQRAHMGEA-SJORKVTESA-N 2 0 326.488 3.440 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420370260 309284903 /nfs/dbraw/zinc/28/49/03/309284903.db2.gz CLXFESKRDKUDPO-FPOVZHCZSA-N 2 0 346.515 3.291 20 0 EGADRP FC(F)Oc1cccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420376291 309285002 /nfs/dbraw/zinc/28/50/02/309285002.db2.gz QHDCZBUKTMYZRJ-RHSMWYFYSA-N 2 0 340.414 3.051 20 0 EGADRP COc1ccc(Cl)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420387307 309285740 /nfs/dbraw/zinc/28/57/40/309285740.db2.gz VTBIJHZCLWBTCI-MSOLQXFVSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420397969 309286312 /nfs/dbraw/zinc/28/63/12/309286312.db2.gz XYYUFEIAMHLREN-FPOVZHCZSA-N 2 0 346.515 3.291 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C[NH3+] ZINC000420417864 309287020 /nfs/dbraw/zinc/28/70/20/309287020.db2.gz WNDLCGZWHWZQCA-FUHWJXTLSA-N 2 0 334.467 3.418 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421340262 309318982 /nfs/dbraw/zinc/31/89/82/309318982.db2.gz IARNQRSCTQPDSK-QFIPXVFZSA-N 2 0 336.479 3.420 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)CC1 ZINC000421367214 309320869 /nfs/dbraw/zinc/32/08/69/309320869.db2.gz DWEQJGGERBQLOL-XLIONFOSSA-N 2 0 345.531 3.395 20 0 EGADRP CCOc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(Cl)c1O ZINC000421366060 309320899 /nfs/dbraw/zinc/32/08/99/309320899.db2.gz CEARLGLHFGYZBY-UHFFFAOYSA-N 2 0 326.868 3.407 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1Cl ZINC000421832638 309342292 /nfs/dbraw/zinc/34/22/92/309342292.db2.gz GPFRVMKXJOTLEM-RBSFLKMASA-N 2 0 325.884 3.275 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000421878525 309344761 /nfs/dbraw/zinc/34/47/61/309344761.db2.gz NLYRQTHEDFBLPN-GRTSSRMGSA-N 2 0 325.522 3.164 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000422996654 309380003 /nfs/dbraw/zinc/38/00/03/309380003.db2.gz MPPJAMTVRMNHFU-FZMZJTMJSA-N 2 0 331.685 3.362 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000422561450 309361718 /nfs/dbraw/zinc/36/17/18/309361718.db2.gz LGMLVVGSWUPQKJ-ZIFCJYIRSA-N 2 0 339.483 3.466 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)NC(C)(C)CC[NH3+])CCCC1)c1ccccc1 ZINC000422597314 309362378 /nfs/dbraw/zinc/36/23/78/309362378.db2.gz KDEYVDFNBWPQEK-MRXNPFEDSA-N 2 0 346.519 3.077 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000422710101 309364135 /nfs/dbraw/zinc/36/41/35/309364135.db2.gz KXJINURZFSVAAA-IAGOWNOFSA-N 2 0 346.515 3.264 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422711403 309364168 /nfs/dbraw/zinc/36/41/68/309364168.db2.gz MRDTURCSIBFLLN-UONOGXRCSA-N 2 0 340.309 3.135 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422713279 309364414 /nfs/dbraw/zinc/36/44/14/309364414.db2.gz PHHTWSRDVWGSHU-HZPDHXFCSA-N 2 0 325.456 3.463 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422736394 309365820 /nfs/dbraw/zinc/36/58/20/309365820.db2.gz WBTHHOFKOXWCCQ-KGLIPLIRSA-N 2 0 345.409 3.271 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422747470 309366246 /nfs/dbraw/zinc/36/62/46/309366246.db2.gz YUVOZLMDLUJGJG-SDZDHKAXSA-N 2 0 327.516 3.332 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422750432 309366504 /nfs/dbraw/zinc/36/65/04/309366504.db2.gz DEFWIFIRFLDSHP-KZNAEPCWSA-N 2 0 326.488 3.245 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422751434 309366714 /nfs/dbraw/zinc/36/67/14/309366714.db2.gz COYIKPSDYRSEIR-AEFFLSMTSA-N 2 0 332.488 3.357 20 0 EGADRP Fc1ccc(SCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422755497 309366812 /nfs/dbraw/zinc/36/68/12/309366812.db2.gz IAJUEEDZXPHDER-RCCFBDPRSA-N 2 0 338.492 3.055 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)N2CCCCC2)cc1 ZINC000422760900 309366914 /nfs/dbraw/zinc/36/69/14/309366914.db2.gz MHBHMYMXCNEZRQ-QMMLZNLJSA-N 2 0 345.531 3.200 20 0 EGADRP CCC(CC)(CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422758250 309367028 /nfs/dbraw/zinc/36/70/28/309367028.db2.gz IOIUSCGIKJIDRX-PIKOESSRSA-N 2 0 347.547 3.238 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Cc1cccc(Br)c1 ZINC000422767228 309367286 /nfs/dbraw/zinc/36/72/86/309367286.db2.gz YLZUHKNIILRXQT-APHBMKBZSA-N 2 0 325.294 3.487 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000422769554 309367319 /nfs/dbraw/zinc/36/73/19/309367319.db2.gz VGDRTQSAVUVCNE-NXWXRZEISA-N 2 0 335.923 3.453 20 0 EGADRP COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCCC2)cc1 ZINC000422768452 309367330 /nfs/dbraw/zinc/36/73/30/309367330.db2.gz TUBIGOZXSYTDFF-KXZRCVDZSA-N 2 0 343.515 3.095 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422794908 309368632 /nfs/dbraw/zinc/36/86/32/309368632.db2.gz UTBFFUCAFYTMBM-FOIQADDNSA-N 2 0 326.488 3.026 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422796858 309368894 /nfs/dbraw/zinc/36/88/94/309368894.db2.gz ZELLCWOZSKDQNI-HUYLIWGRSA-N 2 0 332.488 3.363 20 0 EGADRP COCc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422803876 309369242 /nfs/dbraw/zinc/36/92/42/309369242.db2.gz JVOBODHUSNRYLX-CTNGQTDRSA-N 2 0 338.451 3.179 20 0 EGADRP FC(F)(F)c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422809132 309369598 /nfs/dbraw/zinc/36/95/98/309369598.db2.gz PIPWOMDVUAEJQC-UTUOFQBUSA-N 2 0 333.423 3.215 20 0 EGADRP C[C@@H](NCCC[NH+](Cc1ccccc1)Cc1ccccc1)C1C[NH2+]C1 ZINC000422828097 309370603 /nfs/dbraw/zinc/37/06/03/309370603.db2.gz STSJGEPBTZFNRZ-LJQANCHMSA-N 2 0 337.511 3.276 20 0 EGADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422838661 309371151 /nfs/dbraw/zinc/37/11/51/309371151.db2.gz OSXXSEFRILAWIE-IXDOHACOSA-N 2 0 348.487 3.113 20 0 EGADRP Clc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)c1 ZINC000422840060 309371392 /nfs/dbraw/zinc/37/13/92/309371392.db2.gz AVHFYXDORHMBNM-ZZJWQFMZSA-N 2 0 333.907 3.350 20 0 EGADRP c1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422847524 309371879 /nfs/dbraw/zinc/37/18/79/309371879.db2.gz RNOKHLWGAVXJLA-SLFFLAALSA-N 2 0 328.500 3.245 20 0 EGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422851130 309371934 /nfs/dbraw/zinc/37/19/34/309371934.db2.gz OLJKVUDQMLNPFY-OTWHNJEPSA-N 2 0 345.531 3.422 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCSc3ccccc32)CC[NH2+]CC1 ZINC000422866437 309372663 /nfs/dbraw/zinc/37/26/63/309372663.db2.gz QFXKOITYWJRAJP-GDBMZVCRSA-N 2 0 348.512 3.135 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000422869170 309372894 /nfs/dbraw/zinc/37/28/94/309372894.db2.gz WULDAEFASHAJGB-OUCADQQQSA-N 2 0 328.403 3.335 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422877918 309373379 /nfs/dbraw/zinc/37/33/79/309373379.db2.gz IXBJXHMMIZERDD-YLJYHZDGSA-N 2 0 346.515 3.254 20 0 EGADRP Cc1nc(C)c(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422891322 309374531 /nfs/dbraw/zinc/37/45/31/309374531.db2.gz VDZLRMCSBRVWBD-QFBILLFUSA-N 2 0 343.496 3.148 20 0 EGADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422902724 309375208 /nfs/dbraw/zinc/37/52/08/309375208.db2.gz VDWABXOAECWGGV-PWRODBHTSA-N 2 0 346.515 3.155 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000422903215 309375459 /nfs/dbraw/zinc/37/54/59/309375459.db2.gz FFGLUSXTGWEZJT-PXNSSMCTSA-N 2 0 339.483 3.344 20 0 EGADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422908137 309375541 /nfs/dbraw/zinc/37/55/41/309375541.db2.gz YGANMYJZNADZHN-GVDBMIGSSA-N 2 0 332.419 3.127 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422908879 309375640 /nfs/dbraw/zinc/37/56/40/309375640.db2.gz NAIDEPIVUIETOU-MAZHCROVSA-N 2 0 344.421 3.325 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000422910521 309375864 /nfs/dbraw/zinc/37/58/64/309375864.db2.gz QXRJPZSDOWNHMD-CVEARBPZSA-N 2 0 326.488 3.020 20 0 EGADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC1CCCC1 ZINC000422925696 309376490 /nfs/dbraw/zinc/37/64/90/309376490.db2.gz BLAZIEIWZRQAKR-SJPCQFCGSA-N 2 0 330.472 3.389 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[NH2+]CC1 ZINC000422993735 309380061 /nfs/dbraw/zinc/38/00/61/309380061.db2.gz UEMLNPLPLXFAOB-MAUKXSAKSA-N 2 0 344.499 3.320 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005368 309380538 /nfs/dbraw/zinc/38/05/38/309380538.db2.gz RRAYXGRESFYLBF-BBRMVZONSA-N 2 0 330.394 3.243 20 0 EGADRP COc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c2ccccc2n1 ZINC000423009462 309380759 /nfs/dbraw/zinc/38/07/59/309380759.db2.gz VTQQRYLESZUVLC-CYBMUJFWSA-N 2 0 336.439 3.256 20 0 EGADRP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423012592 309380905 /nfs/dbraw/zinc/38/09/05/309380905.db2.gz LDDKJEPBIMDJRL-OGWHTMIXSA-N 2 0 331.479 3.305 20 0 EGADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423014997 309380962 /nfs/dbraw/zinc/38/09/62/309380962.db2.gz JUIIPAUVHHOGEA-UHYGZKCKSA-N 2 0 331.435 3.415 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423016861 309381256 /nfs/dbraw/zinc/38/12/56/309381256.db2.gz UUIYTOQDHAMPFC-CQSZACIVSA-N 2 0 343.471 3.149 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423027685 309381841 /nfs/dbraw/zinc/38/18/41/309381841.db2.gz RSWFOQVUNYXWGT-AOIWGVFYSA-N 2 0 342.483 3.258 20 0 EGADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@H]1CCC[NH2+]1 ZINC000423038719 309382433 /nfs/dbraw/zinc/38/24/33/309382433.db2.gz ZEWQTRQCWBIPGJ-IAQYHMDHSA-N 2 0 336.277 3.203 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nccs1 ZINC000423041218 309382692 /nfs/dbraw/zinc/38/26/92/309382692.db2.gz WLQAHLJLEHCYAZ-XUWXXGDYSA-N 2 0 329.469 3.092 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000423055192 309383370 /nfs/dbraw/zinc/38/33/70/309383370.db2.gz CWPDJTCXXROQAL-AOIWGVFYSA-N 2 0 335.536 3.211 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)N(C)C ZINC000423060880 309383768 /nfs/dbraw/zinc/38/37/68/309383768.db2.gz PPJRFWONZOGUAI-CEQIKUNHSA-N 2 0 340.515 3.499 20 0 EGADRP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423067202 309384163 /nfs/dbraw/zinc/38/41/63/309384163.db2.gz YWJOLSKNSCKEPB-GVDBMIGSSA-N 2 0 347.469 3.161 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423081097 309385095 /nfs/dbraw/zinc/38/50/95/309385095.db2.gz BDNGDQGTUXTGDC-DWLFOUALSA-N 2 0 337.511 3.451 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423094427 309385624 /nfs/dbraw/zinc/38/56/24/309385624.db2.gz BTTWSQZXBXAGBC-KRWDWIBASA-N 2 0 326.843 3.067 20 0 EGADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423098867 309385998 /nfs/dbraw/zinc/38/59/98/309385998.db2.gz SSTMLZOCVICWPY-GPFWEFOESA-N 2 0 334.891 3.333 20 0 EGADRP Cc1cccc(CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423105970 309386067 /nfs/dbraw/zinc/38/60/67/309386067.db2.gz NYNCTCHMSUZNNH-FPOVZHCZSA-N 2 0 337.467 3.168 20 0 EGADRP CC[C@@H](NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423125213 309387146 /nfs/dbraw/zinc/38/71/46/309387146.db2.gz NKXKOCBBCGJWCL-AABGKKOBSA-N 2 0 333.520 3.197 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCCC23CCCC3)CC[NH2+]CC1 ZINC000423132699 309387695 /nfs/dbraw/zinc/38/76/95/309387695.db2.gz BYQIOMPQYROFBC-DLBZAZTESA-N 2 0 336.520 3.400 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423134522 309387709 /nfs/dbraw/zinc/38/77/09/309387709.db2.gz MJYPZODWHPPUNI-DOTOQJQBSA-N 2 0 334.533 3.161 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423135310 309387793 /nfs/dbraw/zinc/38/77/93/309387793.db2.gz NMOQIZNUAUUDOY-PBHICJAKSA-N 2 0 334.533 3.032 20 0 EGADRP C[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423142735 309388199 /nfs/dbraw/zinc/38/81/99/309388199.db2.gz VRLYTEUUSZSCPS-HMXCVIKNSA-N 2 0 329.532 3.409 20 0 EGADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423160573 309388902 /nfs/dbraw/zinc/38/89/02/309388902.db2.gz ZSTDFMBEHAFQGX-XGQUHGFPSA-N 2 0 339.252 3.448 20 0 EGADRP COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423169496 309388955 /nfs/dbraw/zinc/38/89/55/309388955.db2.gz WCEMXLYPCAWDEM-CHWSQXEVSA-N 2 0 331.435 3.278 20 0 EGADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423170430 309389072 /nfs/dbraw/zinc/38/90/72/309389072.db2.gz LVXSZDVWMKZJOJ-QMWOBKFGSA-N 2 0 338.854 3.082 20 0 EGADRP COc1ccc([C@H](CCC(C)C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423184525 309389521 /nfs/dbraw/zinc/38/95/21/309389521.db2.gz UDCBFVOQSBEAKO-FQEVSTJZSA-N 2 0 333.520 3.057 20 0 EGADRP Cc1cccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423190461 309389704 /nfs/dbraw/zinc/38/97/04/309389704.db2.gz SJMNNAMAUQSOCG-NRFANRHFSA-N 2 0 341.474 3.108 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1I ZINC000423212662 309390754 /nfs/dbraw/zinc/39/07/54/309390754.db2.gz IXXOWMJRKLDOMP-VOMCLLRMSA-N 2 0 344.240 3.212 20 0 EGADRP Brc1ccccc1C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423216333 309390766 /nfs/dbraw/zinc/39/07/66/309390766.db2.gz RRFKQGLDCYBNQB-GUYCJALGSA-N 2 0 337.305 3.359 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423249774 309392304 /nfs/dbraw/zinc/39/23/04/309392304.db2.gz UBLQKDJCEBJHNP-DQLDELGASA-N 2 0 325.500 3.358 20 0 EGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423252870 309392348 /nfs/dbraw/zinc/39/23/48/309392348.db2.gz UYMVLTKXHKSIFE-WFASDCNBSA-N 2 0 339.277 3.252 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000423255754 309392520 /nfs/dbraw/zinc/39/25/20/309392520.db2.gz ASOKDRMFJDDHFS-ZYSHUDEJSA-N 2 0 336.907 3.409 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423259578 309392775 /nfs/dbraw/zinc/39/27/75/309392775.db2.gz OICUJEGPXZZDLQ-STQMWFEESA-N 2 0 326.868 3.398 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423260142 309392786 /nfs/dbraw/zinc/39/27/86/309392786.db2.gz PPWOYXNZGKWSEQ-ZDFPQIBNSA-N 3 0 341.543 3.266 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cnn1-c1ccc(F)cc1 ZINC000423265005 309392921 /nfs/dbraw/zinc/39/29/21/309392921.db2.gz AOOWUIGYQBOSHI-OHNRDTAOSA-N 2 0 330.451 3.488 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423272875 309393476 /nfs/dbraw/zinc/39/34/76/309393476.db2.gz KEDPZELHBJSZHS-BLLLJJGKSA-N 2 0 325.294 3.215 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423278219 309393767 /nfs/dbraw/zinc/39/37/67/309393767.db2.gz QVUHGJIOQDNVGM-FZMZJTMJSA-N 2 0 327.266 3.108 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423278763 309393850 /nfs/dbraw/zinc/39/38/50/309393850.db2.gz RMFXTWVIGXPMTJ-CHWSQXEVSA-N 2 0 343.284 3.499 20 0 EGADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](C)C[NH3+])CCC3)cc1 ZINC000423297274 309394234 /nfs/dbraw/zinc/39/42/34/309394234.db2.gz JPOBBWNNWRXPQI-DOMZBBRYSA-N 2 0 331.485 3.381 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000423302910 309394488 /nfs/dbraw/zinc/39/44/88/309394488.db2.gz WJPRDPHMWQPZDK-OALUTQOASA-N 2 0 339.483 3.132 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000423306817 309394586 /nfs/dbraw/zinc/39/45/86/309394586.db2.gz MAUOLRMZEIBVQU-DLBZAZTESA-N 2 0 349.544 3.299 20 0 EGADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2C[NH2+]C2)CCC3)cc1 ZINC000423306224 309394683 /nfs/dbraw/zinc/39/46/83/309394683.db2.gz SPXAPMRMUWNQSC-OAHLLOKOSA-N 2 0 329.469 3.005 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000423312397 309394734 /nfs/dbraw/zinc/39/47/34/309394734.db2.gz RSWIIWNQFWHMOK-HXUWFJFHSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000423317544 309394901 /nfs/dbraw/zinc/39/49/01/309394901.db2.gz BTBDECRKAKIVBF-JXFKEZNVSA-N 2 0 337.467 3.273 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCCC[NH3+])C(C)C)c(Br)c1 ZINC000423317706 309395000 /nfs/dbraw/zinc/39/50/00/309395000.db2.gz CYMQEZMIUCPLAC-HNNXBMFYSA-N 2 0 329.282 3.483 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423324114 309395154 /nfs/dbraw/zinc/39/51/54/309395154.db2.gz IITJMFPEHHKHSW-DNVCBOLYSA-N 2 0 332.492 3.257 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423322577 309395218 /nfs/dbraw/zinc/39/52/18/309395218.db2.gz IVYVHKCZLUQDCV-OXJNMPFZSA-N 2 0 337.467 3.101 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423330888 309395561 /nfs/dbraw/zinc/39/55/61/309395561.db2.gz NWXXPSGQSVFMQO-BBWFWOEESA-N 2 0 331.504 3.194 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1=CC[NH2+]CC1 ZINC000423350862 309396654 /nfs/dbraw/zinc/39/66/54/309396654.db2.gz GYHKYKVKQRHDSV-LLVKDONJSA-N 2 0 327.241 3.029 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000423360262 309396957 /nfs/dbraw/zinc/39/69/57/309396957.db2.gz QGBWECNNZDUXKR-ROUUACIJSA-N 2 0 343.515 3.290 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000423359859 309397063 /nfs/dbraw/zinc/39/70/63/309397063.db2.gz PROLFNMIXVTVEM-HNNXBMFYSA-N 2 0 329.488 3.091 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000423363785 309397142 /nfs/dbraw/zinc/39/71/42/309397142.db2.gz VFOIMUOZDCDPEJ-SQNIBIBYSA-N 2 0 343.515 3.433 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423369467 309397430 /nfs/dbraw/zinc/39/74/30/309397430.db2.gz CGQNWSSUPHEGRW-QFBILLFUSA-N 2 0 343.515 3.106 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000423377067 309397789 /nfs/dbraw/zinc/39/77/89/309397789.db2.gz VRFCAVOXKNBRGB-IFLJBQAJSA-N 3 0 327.516 3.289 20 0 EGADRP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423384177 309397911 /nfs/dbraw/zinc/39/79/11/309397911.db2.gz JYIHJWCYIVGVRC-DFQSSKMNSA-N 2 0 329.532 3.265 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000423382033 309398058 /nfs/dbraw/zinc/39/80/58/309398058.db2.gz JRSUXWLBLNBLJL-UEKVPHQBSA-N 2 0 327.241 3.435 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423393758 309398284 /nfs/dbraw/zinc/39/82/84/309398284.db2.gz QZVOKTDDSGPKSY-OAHLLOKOSA-N 2 0 326.440 3.166 20 0 EGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C2CC2)c1 ZINC000423396067 309398521 /nfs/dbraw/zinc/39/85/21/309398521.db2.gz RFVBZKQIIJYEAX-SUMWQHHRSA-N 2 0 341.421 3.051 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC[NH2+]CC1 ZINC000423400013 309398523 /nfs/dbraw/zinc/39/85/23/309398523.db2.gz FIWPHTYWDYCZSU-ZDUSSCGKSA-N 2 0 326.481 3.214 20 0 EGADRP Cc1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)c(OCC[NH+](C)C)c1 ZINC000423412012 309399116 /nfs/dbraw/zinc/39/91/16/309399116.db2.gz GSXJHLGMPJSHDO-OAHLLOKOSA-N 2 0 341.455 3.207 20 0 EGADRP COC[C@]1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCC[NH2+]1 ZINC000423414242 309399289 /nfs/dbraw/zinc/39/92/89/309399289.db2.gz MIOCZERINYFDRN-OQMKEHIESA-N 2 0 328.909 3.252 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@H]1c1cccs1 ZINC000423426518 309399903 /nfs/dbraw/zinc/39/99/03/309399903.db2.gz PMAAFPBEDJPDKZ-PVAVHDDUSA-N 2 0 349.544 3.025 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(F)cc1 ZINC000423456433 309401080 /nfs/dbraw/zinc/40/10/80/309401080.db2.gz GWCBITICOKRYIY-LXZKKBNFSA-N 2 0 330.451 3.488 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000423477906 309401810 /nfs/dbraw/zinc/40/18/10/309401810.db2.gz SPNGEDSLQFYFRG-BPLDGKMQSA-N 2 0 337.305 3.414 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423556880 309406210 /nfs/dbraw/zinc/40/62/10/309406210.db2.gz ZKKUBVPRGHWYLX-HWLIBYHHSA-N 2 0 342.487 3.009 20 0 EGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000423582301 309406697 /nfs/dbraw/zinc/40/66/97/309406697.db2.gz ZVKWVFVIQSGJGU-KRWDZBQOSA-N 2 0 339.483 3.036 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000423773842 309412046 /nfs/dbraw/zinc/41/20/46/309412046.db2.gz NAOMYOJYHHLCJK-IHPCNDPISA-N 2 0 341.499 3.184 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424273992 309435616 /nfs/dbraw/zinc/43/56/16/309435616.db2.gz XVTNSLXCGNURER-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000430558543 309610805 /nfs/dbraw/zinc/61/08/05/309610805.db2.gz YWGBATDWRNOMFV-KRWDZBQOSA-N 2 0 331.504 3.260 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000430587683 309611996 /nfs/dbraw/zinc/61/19/96/309611996.db2.gz XEAWWJOYVZRMII-CQSZACIVSA-N 2 0 335.517 3.057 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000431572663 309637048 /nfs/dbraw/zinc/63/70/48/309637048.db2.gz VLIRQLSKMPPFPQ-DLBZAZTESA-N 2 0 345.512 3.160 20 0 EGADRP Cc1ccc([C@H]2CCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1C ZINC000433132412 309679602 /nfs/dbraw/zinc/67/96/02/309679602.db2.gz XHXFPXGFSUYSMR-HXUWFJFHSA-N 2 0 343.515 3.170 20 0 EGADRP CC(C)[C@H](C[NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000433152991 309680125 /nfs/dbraw/zinc/68/01/25/309680125.db2.gz OBLBXTSABQOFKA-HLIPFELVSA-N 2 0 345.531 3.012 20 0 EGADRP CN(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000443590538 309904120 /nfs/dbraw/zinc/90/41/20/309904120.db2.gz HBXRERJFWUSRIZ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@H+](CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C(C)C ZINC000449112278 310038005 /nfs/dbraw/zinc/03/80/05/310038005.db2.gz QGXQOEIKFQLKTC-LJQANCHMSA-N 2 0 331.548 3.402 20 0 EGADRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449286789 310050327 /nfs/dbraw/zinc/05/03/27/310050327.db2.gz IIYCWHRLZSQTKW-UHFFFAOYSA-N 2 0 342.462 3.190 20 0 EGADRP Cc1cccc(Cl)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000450743117 310140336 /nfs/dbraw/zinc/14/03/36/310140336.db2.gz FTTGLEHLPDBQLK-UHFFFAOYSA-N 2 0 349.950 3.498 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)CC1 ZINC000451411077 310176761 /nfs/dbraw/zinc/17/67/61/310176761.db2.gz UMUXVAMKDRUOLZ-HZPDHXFCSA-N 2 0 335.458 3.065 20 0 EGADRP C(=C/C[N@@H+]1CCSC[C@@H]1C1CC1)\C[NH+]1CCSC[C@H]1C1CC1 ZINC000451646436 310191098 /nfs/dbraw/zinc/19/10/98/310191098.db2.gz FLPIVRVIZYQCGN-KVHJKKSTSA-N 2 0 338.586 3.197 20 0 EGADRP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cnn1C ZINC000453172672 310262340 /nfs/dbraw/zinc/26/23/40/310262340.db2.gz IKTKQFVIUANXEM-NJYVYQBISA-N 2 0 338.499 3.261 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CCO)C(C)(C)C)CC1 ZINC000453193880 310263323 /nfs/dbraw/zinc/26/33/23/310263323.db2.gz NFLUDZBAGVTBOM-XLIONFOSSA-N 2 0 332.532 3.469 20 0 EGADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453237317 310266014 /nfs/dbraw/zinc/26/60/14/310266014.db2.gz VDICGSLMNIHQIK-UWHLTILDSA-N 2 0 330.516 3.284 20 0 EGADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000453391494 310274390 /nfs/dbraw/zinc/27/43/90/310274390.db2.gz DOGIBEKMYQRUCG-ILWGZMRPSA-N 3 0 341.543 3.361 20 0 EGADRP COc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cc(Cl)c1OC ZINC000453604851 310283939 /nfs/dbraw/zinc/28/39/39/310283939.db2.gz SFDVOIIXCFOCHJ-UHFFFAOYSA-N 2 0 326.868 3.321 20 0 EGADRP CC(C)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1C ZINC000455870258 310380432 /nfs/dbraw/zinc/38/04/32/310380432.db2.gz XADKCNLZPLTBHV-OALUTQOASA-N 2 0 344.503 3.039 20 0 EGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000455901728 310381706 /nfs/dbraw/zinc/38/17/06/310381706.db2.gz GDLKGMQAMANSIB-RDTXWAMCSA-N 2 0 346.519 3.333 20 0 EGADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455905480 310381803 /nfs/dbraw/zinc/38/18/03/310381803.db2.gz HNQSCDYBRZIAAM-LJQANCHMSA-N 2 0 346.519 3.287 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456338898 310399345 /nfs/dbraw/zinc/39/93/45/310399345.db2.gz OLZWIHPGWTZXAP-ZWKOTPCHSA-N 2 0 345.531 3.134 20 0 EGADRP c1cc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc[nH+]1 ZINC000459432758 310552228 /nfs/dbraw/zinc/55/22/28/310552228.db2.gz SSEKCFJFNBBNLF-UHFFFAOYSA-N 3 0 342.531 3.437 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)CC1 ZINC000459449972 310553523 /nfs/dbraw/zinc/55/35/23/310553523.db2.gz NSEPBHFSWUUYTM-UHFFFAOYSA-N 2 0 328.504 3.487 20 0 EGADRP c1cnn(CCCCC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000459485490 310555875 /nfs/dbraw/zinc/55/58/75/310555875.db2.gz RPITYAPJHMJBNP-UHFFFAOYSA-N 2 0 349.482 3.424 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462057929 310594963 /nfs/dbraw/zinc/59/49/63/310594963.db2.gz KVYRVUAGDUTMPL-ROUUACIJSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000479251483 310871437 /nfs/dbraw/zinc/87/14/37/310871437.db2.gz JNQNCKIFIUORKB-RBUKOAKNSA-N 2 0 335.923 3.189 20 0 EGADRP Cc1cccc(C(=O)NCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000480899649 310902441 /nfs/dbraw/zinc/90/24/41/310902441.db2.gz KVYKCSDWAKPMMW-UHFFFAOYSA-N 2 0 343.515 3.112 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)C[C@@H](C)O1 ZINC000486974988 311005264 /nfs/dbraw/zinc/00/52/64/311005264.db2.gz XMDVFVWLLUGCJY-ZACQAIPSSA-N 2 0 334.529 3.139 20 0 EGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000487190834 311014726 /nfs/dbraw/zinc/01/47/26/311014726.db2.gz BOMNBHRDQVCIOB-PWIZWCRZSA-N 2 0 343.515 3.201 20 0 EGADRP O=C(C=Cc1c[nH]cn1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000492910414 311305747 /nfs/dbraw/zinc/30/57/47/311305747.db2.gz JAFWOOHIOAUUJY-HJWRWDBZSA-N 2 0 338.455 3.115 20 0 EGADRP C[C@@H](c1ccccn1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000493281325 311353471 /nfs/dbraw/zinc/35/34/71/311353471.db2.gz PAKALKMOHSDSOF-SFHVURJKSA-N 3 0 344.547 3.271 20 0 EGADRP CN(C(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000493286521 311354123 /nfs/dbraw/zinc/35/41/23/311354123.db2.gz PEQHFTZXBZRXRH-INIZCTEOSA-N 2 0 339.524 3.192 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C/C=C\c3ccncc3)CC2)C[C@@H](C)O1 ZINC000494985431 311530064 /nfs/dbraw/zinc/53/00/64/311530064.db2.gz JXZQKRLJQKGFIA-IFEVLTCRSA-N 2 0 343.515 3.306 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495819061 311616325 /nfs/dbraw/zinc/61/63/25/311616325.db2.gz UBZVGHGNLSOUMA-KLAILNCOSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]CCC[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000496827218 311771281 /nfs/dbraw/zinc/77/12/81/311771281.db2.gz JBBZZXMRWOYMMG-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)C[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC000499183876 311901587 /nfs/dbraw/zinc/90/15/87/311901587.db2.gz CTGZWRJEGBODTI-SCTDSRPQSA-N 2 0 348.535 3.001 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCC(C)(C)C ZINC000505344484 312020098 /nfs/dbraw/zinc/02/00/98/312020098.db2.gz OYKARCWEMKHNKX-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1F ZINC000512187744 312178735 /nfs/dbraw/zinc/17/87/35/312178735.db2.gz RXYNHBBWWOCFER-IRXDYDNUSA-N 2 0 334.479 3.455 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000513079860 312201285 /nfs/dbraw/zinc/20/12/85/312201285.db2.gz BXPLODXRUNOLCO-OWCLPIDISA-N 2 0 349.485 3.359 20 0 EGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[NH+]3CCC(C)(C)C3)c2C1 ZINC000516490143 312325718 /nfs/dbraw/zinc/32/57/18/312325718.db2.gz OFWXFEVVDXWVEH-UHFFFAOYSA-N 2 0 329.488 3.329 20 0 EGADRP [NH3+]CC[C@H]1CCCN(Cc2cc(Br)cc(F)c2F)C1 ZINC000516872239 312347250 /nfs/dbraw/zinc/34/72/50/312347250.db2.gz SHWKTGQWKJVIFA-SNVBAGLBSA-N 2 0 333.220 3.288 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000516957884 312354372 /nfs/dbraw/zinc/35/43/72/312354372.db2.gz ABZZTHIREUELPL-HKUYNNGSSA-N 2 0 341.455 3.060 20 0 EGADRP Cn1cncc1CCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000516978016 312355793 /nfs/dbraw/zinc/35/57/93/312355793.db2.gz SNHHPAISFSYDIB-UHFFFAOYSA-N 2 0 346.450 3.231 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000517862940 312395815 /nfs/dbraw/zinc/39/58/15/312395815.db2.gz IQADAEFMRYVJFC-NRFANRHFSA-N 2 0 344.474 3.361 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)ccc2Br)CC1 ZINC000087790530 454089173 /nfs/dbraw/zinc/08/91/73/454089173.db2.gz BXVHAPYWKVQUEN-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP Clc1cccnc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000528436675 313093999 /nfs/dbraw/zinc/09/39/99/313093999.db2.gz BLHKBXBTRRKOTB-UHFFFAOYSA-N 2 0 337.895 3.059 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531691444 313701590 /nfs/dbraw/zinc/70/15/90/313701590.db2.gz BINFHKFBEMIHAY-FXQLRMTLSA-N 2 0 336.442 3.180 20 0 EGADRP COc1cc2c(cc1CN(C)CC[C@H]1CCCC[N@@H+]1C)O[C@@H](C)C2 ZINC000536678531 314138043 /nfs/dbraw/zinc/13/80/43/314138043.db2.gz CALXDVHZJXOMJC-MAUKXSAKSA-N 2 0 332.488 3.325 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000537095599 314160676 /nfs/dbraw/zinc/16/06/76/314160676.db2.gz GUNKOHYENQCAKY-LNLFQRSKSA-N 2 0 326.488 3.371 20 0 EGADRP Cc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC000538763407 314273628 /nfs/dbraw/zinc/27/36/28/314273628.db2.gz BWJGRUWOYAHJEF-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)o2)CC1)CC1CC1 ZINC000539957244 314353696 /nfs/dbraw/zinc/35/36/96/314353696.db2.gz JLCBBLLCMQACGT-UHFFFAOYSA-N 2 0 348.487 3.400 20 0 EGADRP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(C)c1F ZINC000540160832 314366889 /nfs/dbraw/zinc/36/68/89/314366889.db2.gz MJIBZNYCAMQSHA-SNRMKQJTSA-N 2 0 334.479 3.471 20 0 EGADRP CN(CC[N@H+](C)CCc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000540319231 314373891 /nfs/dbraw/zinc/37/38/91/314373891.db2.gz MZIJFSRHFQGMLG-UHFFFAOYSA-N 2 0 339.527 3.340 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548124631 314974566 /nfs/dbraw/zinc/97/45/66/314974566.db2.gz KLZLKLBRLHPECI-XJKSGUPXSA-N 2 0 339.911 3.226 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000550075026 315115534 /nfs/dbraw/zinc/11/55/34/315115534.db2.gz KEQYBZIJNURJBA-CQSZACIVSA-N 2 0 339.321 3.484 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550919011 315137851 /nfs/dbraw/zinc/13/78/51/315137851.db2.gz CBHDIGMGMJTNEY-VKJFTORMSA-N 2 0 348.560 3.372 20 0 EGADRP C[C@H]([NH2+]C[C@]1(O)CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552357503 315216188 /nfs/dbraw/zinc/21/61/88/315216188.db2.gz CMYIQECCVVZFDQ-FBBABVLZSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000552560053 315225154 /nfs/dbraw/zinc/22/51/54/315225154.db2.gz DUZLBDXWXRPIOQ-UXHICEINSA-N 2 0 344.547 3.350 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000553781150 315281874 /nfs/dbraw/zinc/28/18/74/315281874.db2.gz ALOXJLBNLOFFPJ-GBESFXJTSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C1CCC(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000554855837 315353078 /nfs/dbraw/zinc/35/30/78/315353078.db2.gz YAALOBXUGWXONM-UEKLYDJUSA-N 2 0 335.580 3.407 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000555584478 315392281 /nfs/dbraw/zinc/39/22/81/315392281.db2.gz QXTUAHGWFBQPFW-FUHWJXTLSA-N 2 0 336.520 3.353 20 0 EGADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000559334928 315629011 /nfs/dbraw/zinc/62/90/11/315629011.db2.gz SGAVCLZMBPGLCN-OAQYLSRUSA-N 2 0 344.543 3.472 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000562962327 315930860 /nfs/dbraw/zinc/93/08/60/315930860.db2.gz ZFBKFNMOJKCAQV-SGRWCLLMSA-N 2 0 325.431 3.416 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3[NH2+]CCCC3(C)C)ccc21 ZINC000563496636 316028542 /nfs/dbraw/zinc/02/85/42/316028542.db2.gz IGJKCARYACFGBD-QZTJIDSGSA-N 2 0 344.503 3.135 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)Nc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000563502979 316029961 /nfs/dbraw/zinc/02/99/61/316029961.db2.gz NGYXBDBLROPKGH-UHFFFAOYSA-N 2 0 344.503 3.310 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CCCCC[C@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000563528270 316033512 /nfs/dbraw/zinc/03/35/12/316033512.db2.gz RMTZQFDMEVTNIG-AABGKKOBSA-N 2 0 331.504 3.082 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000563765204 316065848 /nfs/dbraw/zinc/06/58/48/316065848.db2.gz SMEJLOMXNILWLA-UXHICEINSA-N 2 0 345.462 3.165 20 0 EGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CCC2CCCCCC2)c1 ZINC000564299042 316132664 /nfs/dbraw/zinc/13/26/64/316132664.db2.gz FWZPNSYSOOIVCC-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC1CCC(O)(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000564375486 316144386 /nfs/dbraw/zinc/14/43/86/316144386.db2.gz ALMUXBHIFDOQMB-KSBZDLFUSA-N 2 0 342.527 3.382 20 0 EGADRP CC[NH+](CC)CCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000564552181 316166672 /nfs/dbraw/zinc/16/66/72/316166672.db2.gz DIBXZCBFXDVYHA-IEBWSBKVSA-N 2 0 348.535 3.017 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000564822551 316212258 /nfs/dbraw/zinc/21/22/58/316212258.db2.gz DOIIKKLCCZGDCZ-NZSAHSFTSA-N 2 0 344.503 3.193 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])cc21 ZINC000565039819 316254366 /nfs/dbraw/zinc/25/43/66/316254366.db2.gz BKYRDLHPUDCYHQ-AEFFLSMTSA-N 2 0 342.487 3.049 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000565226333 316294657 /nfs/dbraw/zinc/29/46/57/316294657.db2.gz JUSMUVQJZIULAD-WDEREUQCSA-N 2 0 336.789 3.025 20 0 EGADRP FC(F)(F)Oc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000565421868 316321963 /nfs/dbraw/zinc/32/19/63/316321963.db2.gz KIZXEMBOIVISTH-AWEZNQCLSA-N 2 0 328.378 3.407 20 0 EGADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565945388 316392517 /nfs/dbraw/zinc/39/25/17/316392517.db2.gz CFEKIJCRJCOBIN-QZTJIDSGSA-N 2 0 339.487 3.006 20 0 EGADRP C[C@](O)(C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C(F)(F)F ZINC000566109299 316417548 /nfs/dbraw/zinc/41/75/48/316417548.db2.gz OMOVWHFWHOIYAL-KRWDZBQOSA-N 2 0 344.421 3.466 20 0 EGADRP Cc1sc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])nc1-c1ccccc1 ZINC000567159520 316576572 /nfs/dbraw/zinc/57/65/72/316576572.db2.gz SEACNOVDZZKPJP-RRQGHBQHSA-N 2 0 345.512 3.003 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000568248521 316749053 /nfs/dbraw/zinc/74/90/53/316749053.db2.gz TYCLZTIIHSJMGI-WOGUSJMUSA-N 2 0 332.488 3.171 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000569095802 316864838 /nfs/dbraw/zinc/86/48/38/316864838.db2.gz ZHEDQKVSXQOTNY-OAQYLSRUSA-N 2 0 348.531 3.042 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000569712912 316953597 /nfs/dbraw/zinc/95/35/97/316953597.db2.gz IYNYAYDXTXVWDN-XUWVNRHRSA-N 2 0 349.906 3.343 20 0 EGADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(O)c1 ZINC000570505851 317065006 /nfs/dbraw/zinc/06/50/06/317065006.db2.gz OSLWLACVXQDWMO-UTKZUKDTSA-N 2 0 339.483 3.032 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000571203427 317166033 /nfs/dbraw/zinc/16/60/33/317166033.db2.gz FACQOAHVVSNSTO-GPMSIDNRSA-N 2 0 331.504 3.009 20 0 EGADRP Cc1ccc(C(=O)NC2CN(C(C)C)C2)cc1Oc1ccncc1 ZINC000571498638 317206559 /nfs/dbraw/zinc/20/65/59/317206559.db2.gz PJOREWGNNOEURX-UHFFFAOYSA-N 2 0 325.412 3.005 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000572009682 317278985 /nfs/dbraw/zinc/27/89/85/317278985.db2.gz WZAHSORUYMXPNB-CHWSQXEVSA-N 2 0 343.393 3.012 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000572301642 317317976 /nfs/dbraw/zinc/31/79/76/317317976.db2.gz KNPDYPBQPOHSNI-UHFFFAOYSA-N 2 0 345.531 3.129 20 0 EGADRP CCCC(CCC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000177318337 323338770 /nfs/dbraw/zinc/33/87/70/323338770.db2.gz SYEFWMHVFHVKLU-LJQANCHMSA-N 2 0 345.531 3.442 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)C[NH+](C)C ZINC000381695705 324247473 /nfs/dbraw/zinc/24/74/73/324247473.db2.gz FKANWCSRDRJUPI-BLLLJJGKSA-N 2 0 325.294 3.094 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382455191 324250701 /nfs/dbraw/zinc/25/07/01/324250701.db2.gz PYURCHREQPHJIS-RDJZCZTQSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(I)cc1 ZINC000383753539 324257635 /nfs/dbraw/zinc/25/76/35/324257635.db2.gz CNLHPHQKFGTENX-NWDGAFQWSA-N 2 0 346.256 3.140 20 0 EGADRP CCOc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1OC(F)F ZINC000389914381 324281007 /nfs/dbraw/zinc/28/10/07/324281007.db2.gz BRSXMZNSNOCBFQ-UHFFFAOYSA-N 2 0 328.403 3.248 20 0 EGADRP C[NH+](C)CCOc1cccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000392967637 324290297 /nfs/dbraw/zinc/29/02/97/324290297.db2.gz LIWDXMCKKGHIFT-LJQANCHMSA-N 2 0 341.455 3.046 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000575248731 324444999 /nfs/dbraw/zinc/44/49/99/324444999.db2.gz QZEKXDPVUKTOTQ-FQEVSTJZSA-N 2 0 348.531 3.145 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH2+]C1CC1 ZINC000579087294 325060112 /nfs/dbraw/zinc/06/01/12/325060112.db2.gz LYJPUIBOFHLFHD-LBPRGKRZSA-N 2 0 343.393 3.154 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000579099901 325062242 /nfs/dbraw/zinc/06/22/42/325062242.db2.gz JXNVMIGCXNBYSY-JYJNAYRXSA-N 2 0 337.895 3.177 20 0 EGADRP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000580095207 325203143 /nfs/dbraw/zinc/20/31/43/325203143.db2.gz LVINDKNCYOWQNN-ZBFHGGJFSA-N 2 0 330.501 3.409 20 0 EGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1)c1cc2ccccc2o1 ZINC000580202304 325218049 /nfs/dbraw/zinc/21/80/49/325218049.db2.gz WPGYSHIFTZVSIL-HUUCEWRRSA-N 2 0 343.471 3.059 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000353515871 456728020 /nfs/dbraw/zinc/72/80/20/456728020.db2.gz FZNNTURTANJCIT-UHFFFAOYSA-N 2 0 330.394 3.248 20 0 EGADRP [NH3+]C1(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000237907284 455231530 /nfs/dbraw/zinc/23/15/30/455231530.db2.gz SZTOZDMCFUQZFG-UHFFFAOYSA-N 2 0 349.906 3.082 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000183120622 455232781 /nfs/dbraw/zinc/23/27/81/455232781.db2.gz CIBKGZQPYHZGSX-PXNSSMCTSA-N 2 0 339.483 3.099 20 0 EGADRP [NH3+]Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000237962692 455238800 /nfs/dbraw/zinc/23/88/00/455238800.db2.gz JXOOJTMBAVTWSW-UHFFFAOYSA-N 2 0 329.488 3.064 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@H]2CCCO2)CC1 ZINC000189840665 455245157 /nfs/dbraw/zinc/24/51/57/455245157.db2.gz ASYICQZYAONZSP-FUHWJXTLSA-N 2 0 349.494 3.187 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000157898684 455245874 /nfs/dbraw/zinc/24/58/74/455245874.db2.gz WJLOGHPXZAICGQ-LJQANCHMSA-N 2 0 344.547 3.290 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158960944 455340611 /nfs/dbraw/zinc/34/06/11/455340611.db2.gz SZDJJMRMDBWRCP-MJGOQNOKSA-N 2 0 334.504 3.217 20 0 EGADRP CC(C)Oc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158960553 455341059 /nfs/dbraw/zinc/34/10/59/455341059.db2.gz SZDJJMRMDBWRCP-PKOBYXMFSA-N 2 0 334.504 3.217 20 0 EGADRP CC[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[NH+](CC)CC ZINC000605449044 460583307 /nfs/dbraw/zinc/58/33/07/460583307.db2.gz PYEOJOMNMOTUNJ-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000022153137 453687736 /nfs/dbraw/zinc/68/77/36/453687736.db2.gz WMXVZSXRNDQRMG-CYBMUJFWSA-N 2 0 330.303 3.282 20 0 EGADRP COc1cc2c(c(CN3CC[C@@H](C[NH+]4CCCCC4)C3)c1)O[C@@H](C)C2 ZINC000245716237 455363122 /nfs/dbraw/zinc/36/31/22/455363122.db2.gz HACVIDPSUYUPKS-IRXDYDNUSA-N 2 0 344.499 3.326 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCC2 ZINC000181627324 455365534 /nfs/dbraw/zinc/36/55/34/455365534.db2.gz SGTGWMGUXGPDMS-RTBURBONSA-N 2 0 332.488 3.064 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)o1 ZINC000053152881 453862028 /nfs/dbraw/zinc/86/20/28/453862028.db2.gz HJTQKUFEYSFXIO-UHFFFAOYSA-N 2 0 335.492 3.068 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CCSCC2)C[C@H](C)O1 ZINC000075831176 453928352 /nfs/dbraw/zinc/92/83/52/453928352.db2.gz XAMUJEJSRINCTK-IYBDPMFKSA-N 2 0 334.529 3.281 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523325 454064328 /nfs/dbraw/zinc/06/43/28/454064328.db2.gz RKGKUDNPOKYDRP-HNNXBMFYSA-N 2 0 349.544 3.399 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000089669142 454175587 /nfs/dbraw/zinc/17/55/87/454175587.db2.gz FIEDFRFFGQTYRJ-WBVHZDCISA-N 2 0 344.528 3.458 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095968972 454244120 /nfs/dbraw/zinc/24/41/20/454244120.db2.gz DRHOZISCJCUKSI-JVPBZIDWSA-N 2 0 344.503 3.494 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CC1 ZINC000090028856 454264884 /nfs/dbraw/zinc/26/48/84/454264884.db2.gz ZNONOQZNNPAXHM-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP Cc1cnccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000120302593 454284030 /nfs/dbraw/zinc/28/40/30/454284030.db2.gz UXFGZWLPUHGSTF-INIZCTEOSA-N 2 0 328.416 3.332 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234849 454296733 /nfs/dbraw/zinc/29/67/33/454296733.db2.gz ITQQGKVKPYCQIC-IPYPFGDCSA-N 2 0 330.394 3.446 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)o1 ZINC000047017108 454319532 /nfs/dbraw/zinc/31/95/32/454319532.db2.gz TTYLHDSXGVQPLF-UHFFFAOYSA-N 2 0 349.519 3.363 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000132311988 454329321 /nfs/dbraw/zinc/32/93/21/454329321.db2.gz UVBYGYFDXWFFLH-UXHICEINSA-N 2 0 333.520 3.008 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@@H]1CCOC1 ZINC000120684818 454333793 /nfs/dbraw/zinc/33/37/93/454333793.db2.gz RNOICTRXUAGIBU-CTNGQTDRSA-N 2 0 346.515 3.312 20 0 EGADRP CCc1ccc(-c2ccc(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)o2)cc1 ZINC000072922456 454363456 /nfs/dbraw/zinc/36/34/56/454363456.db2.gz IACBZFNBOIOERA-QGZVFWFLSA-N 2 0 341.499 3.235 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000047505547 454378702 /nfs/dbraw/zinc/37/87/02/454378702.db2.gz PNYYBVUDXOZIKX-UHFFFAOYSA-N 2 0 344.503 3.230 20 0 EGADRP COc1cccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000097021375 454388937 /nfs/dbraw/zinc/38/89/37/454388937.db2.gz LGAGECULEWBOGN-ZVDOUQERSA-N 2 0 343.515 3.049 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000121285484 454416368 /nfs/dbraw/zinc/41/63/68/454416368.db2.gz DIJBRPYNQOVSRB-QRVBRYPASA-N 2 0 347.547 3.050 20 0 EGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000073303314 454418479 /nfs/dbraw/zinc/41/84/79/454418479.db2.gz HXWUGHKSFIVXIX-KRWDZBQOSA-N 2 0 347.503 3.078 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000047978337 454427459 /nfs/dbraw/zinc/42/74/59/454427459.db2.gz HGOWWRLKEYJHFV-GOSISDBHSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000091334725 454427719 /nfs/dbraw/zinc/42/77/19/454427719.db2.gz WUVSCSACQSUZQI-JXFKEZNVSA-N 2 0 333.495 3.283 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121818032 454481372 /nfs/dbraw/zinc/48/13/72/454481372.db2.gz UIXZZJADXNUJIY-FQEVSTJZSA-N 2 0 329.532 3.015 20 0 EGADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000121891220 454490061 /nfs/dbraw/zinc/49/00/61/454490061.db2.gz DNEMYJSEKTYSLZ-YWZLYKJASA-N 2 0 326.484 3.463 20 0 EGADRP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563720 454498671 /nfs/dbraw/zinc/49/86/71/454498671.db2.gz LENWBPMRBILNBD-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000079996454 454513404 /nfs/dbraw/zinc/51/34/04/454513404.db2.gz RANBHKDLYWALLC-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000074181695 454541025 /nfs/dbraw/zinc/54/10/25/454541025.db2.gz VTYYKHSSKMZCMU-INIZCTEOSA-N 2 0 338.455 3.239 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000074189245 454541967 /nfs/dbraw/zinc/54/19/67/454541967.db2.gz RQNZHGDEJGEFFI-SFHVURJKSA-N 2 0 343.515 3.163 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246244105 455456404 /nfs/dbraw/zinc/45/64/04/455456404.db2.gz VFTUFGKBESOFRM-ROUUACIJSA-N 2 0 329.488 3.048 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000122875499 454577722 /nfs/dbraw/zinc/57/77/22/454577722.db2.gz MZCGIXCOLKPICF-NVXWUHKLSA-N 2 0 332.488 3.055 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000092666293 454605533 /nfs/dbraw/zinc/60/55/33/454605533.db2.gz VYEWURHKLNTIRS-QZTJIDSGSA-N 2 0 340.515 3.158 20 0 EGADRP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000135158929 454639986 /nfs/dbraw/zinc/63/99/86/454639986.db2.gz YJIOKEYBOPQVQH-RTBURBONSA-N 2 0 330.472 3.168 20 0 EGADRP CCCC[C@H](C(=O)OC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821482 454641794 /nfs/dbraw/zinc/64/17/94/454641794.db2.gz MIYFCMFSBAADLP-LJQANCHMSA-N 2 0 347.503 3.352 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C ZINC000051959544 454642898 /nfs/dbraw/zinc/64/28/98/454642898.db2.gz QRUVZTZSAMJKLT-UHFFFAOYSA-N 2 0 346.515 3.117 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000123530845 454649132 /nfs/dbraw/zinc/64/91/32/454649132.db2.gz BUGCUIBAZPRCCV-QOKNQOGYSA-N 2 0 326.488 3.307 20 0 EGADRP CCC1CCC([N@H+](CC(=O)NC2CC[NH+](CC)CC2)C2CC2)CC1 ZINC000052103417 454654903 /nfs/dbraw/zinc/65/49/03/454654903.db2.gz FGSNRNKAAWPAAZ-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP OCC[NH2+]C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000635002065 460647038 /nfs/dbraw/zinc/64/70/38/460647038.db2.gz IOCVLJCGRDWIMJ-UHFFFAOYSA-N 2 0 345.314 3.362 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000635004959 460648032 /nfs/dbraw/zinc/64/80/32/460648032.db2.gz RMYVOTPTWMDNAE-CZUORRHYSA-N 2 0 331.426 3.415 20 0 EGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(C[NH+](C)C)c3)c(C)n2n1 ZINC000093371665 454709832 /nfs/dbraw/zinc/70/98/32/454709832.db2.gz KWDDQGNMEDWBFX-HNNXBMFYSA-N 2 0 337.471 3.259 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cc(C)ccc1OC ZINC000093397610 454711185 /nfs/dbraw/zinc/71/11/85/454711185.db2.gz DCWRJVRQOOBEJJ-HXUWFJFHSA-N 2 0 347.547 3.462 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C2CCC(OC)CC2)CC1 ZINC000093415099 454713836 /nfs/dbraw/zinc/71/38/36/454713836.db2.gz MBPIFVVJYZXEHB-UHFFFAOYSA-N 2 0 345.531 3.218 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC)cc1 ZINC000124408965 454728989 /nfs/dbraw/zinc/72/89/89/454728989.db2.gz NFJVVWQMBDBTNT-FQEVSTJZSA-N 2 0 333.520 3.010 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000136318547 454735902 /nfs/dbraw/zinc/73/59/02/454735902.db2.gz MYGODAHNBQKICW-UHFFFAOYSA-N 2 0 325.294 3.454 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000635009745 460652257 /nfs/dbraw/zinc/65/22/57/460652257.db2.gz ZFENROQNFZCESW-DJIMGWMZSA-N 2 0 327.476 3.052 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162189487 454757367 /nfs/dbraw/zinc/75/73/67/454757367.db2.gz HFEKYEPDIMSIFD-NHYWBVRUSA-N 2 0 329.257 3.061 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124778414 454768977 /nfs/dbraw/zinc/76/89/77/454768977.db2.gz GYPWWKSMYUJTCL-MGPUTAFESA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000138251002 454790235 /nfs/dbraw/zinc/79/02/35/454790235.db2.gz DZOLJDSTPBVKJJ-GOSISDBHSA-N 2 0 326.488 3.437 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000635012594 460655157 /nfs/dbraw/zinc/65/51/57/460655157.db2.gz WYMLKDUTNBCPAI-JTSKRJEESA-N 2 0 341.543 3.465 20 0 EGADRP Cc1ccc2c(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)oc2c1C ZINC000139820240 454812094 /nfs/dbraw/zinc/81/20/94/454812094.db2.gz KXEJPTVMKOEFCD-APWZRJJASA-N 2 0 340.467 3.326 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000163239592 454832795 /nfs/dbraw/zinc/83/27/95/454832795.db2.gz FAPXZPGYVLJTOU-GCGJSEPQSA-N 3 0 329.532 3.358 20 0 EGADRP COCOc1ccc(OC)cc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000163545460 454854549 /nfs/dbraw/zinc/85/45/49/454854549.db2.gz FPSAGXQQOUNFFQ-UHFFFAOYSA-N 2 0 344.455 3.029 20 0 EGADRP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C(C)(C)O1 ZINC000182237281 455469023 /nfs/dbraw/zinc/46/90/23/455469023.db2.gz VEEQYGRFUOJDLP-MOPGFXCFSA-N 2 0 346.515 3.079 20 0 EGADRP CCC(CC)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163970107 454870934 /nfs/dbraw/zinc/87/09/34/454870934.db2.gz BJKSSWVBLQZBOQ-UHFFFAOYSA-N 2 0 334.504 3.454 20 0 EGADRP C[C@@H](c1ccccn1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177501243 454871336 /nfs/dbraw/zinc/87/13/36/454871336.db2.gz RHDRDZUHUHXUDI-KURKYZTESA-N 2 0 331.504 3.354 20 0 EGADRP COCCCCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177508052 454872337 /nfs/dbraw/zinc/87/23/37/454872337.db2.gz PPVYGHMVZWINBM-ROUUACIJSA-N 2 0 326.525 3.014 20 0 EGADRP CN(CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCSC1 ZINC000154310214 454884121 /nfs/dbraw/zinc/88/41/21/454884121.db2.gz RGOYVNABSLWMNX-GOSISDBHSA-N 2 0 347.528 3.048 20 0 EGADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1CC1 ZINC000164528821 454884579 /nfs/dbraw/zinc/88/45/79/454884579.db2.gz JYEMHNLYYRZZGM-HXUWFJFHSA-N 2 0 328.456 3.426 20 0 EGADRP CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000112380500 454885594 /nfs/dbraw/zinc/88/55/94/454885594.db2.gz NXJWYCYZJDAKII-FXAWDEMLSA-N 2 0 334.504 3.048 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000154453777 454898178 /nfs/dbraw/zinc/89/81/78/454898178.db2.gz WTDBMVSHWLUTIX-LJQANCHMSA-N 2 0 331.548 3.360 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154464864 454899133 /nfs/dbraw/zinc/89/91/33/454899133.db2.gz CSKYOCFEHLBGTE-CLCXKQKWSA-N 2 0 326.488 3.119 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000165998037 454906897 /nfs/dbraw/zinc/90/68/97/454906897.db2.gz WULYBKUZSWBNJV-OXJNMPFZSA-N 3 0 344.503 3.188 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166435003 454911557 /nfs/dbraw/zinc/91/15/57/454911557.db2.gz CMLBHYFMMPWEEZ-CYBMUJFWSA-N 2 0 348.288 3.429 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166493790 454912889 /nfs/dbraw/zinc/91/28/89/454912889.db2.gz RLVZZCKUKMKLNK-RXVVDRJESA-N 2 0 329.532 3.236 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000177956715 454923144 /nfs/dbraw/zinc/92/31/44/454923144.db2.gz ZEQGULIDURZERE-GJZGRUSLSA-N 2 0 330.476 3.081 20 0 EGADRP CCC(CC)(CNC(=O)C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000168761186 454928039 /nfs/dbraw/zinc/92/80/39/454928039.db2.gz DGEYDYAAWANRCI-SJLPKXTDSA-N 2 0 331.504 3.154 20 0 EGADRP COCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000178157422 454939090 /nfs/dbraw/zinc/93/90/90/454939090.db2.gz DEQBNIAAMLWXIO-KRWDZBQOSA-N 2 0 334.504 3.312 20 0 EGADRP OC1CCN(CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000151380792 454977392 /nfs/dbraw/zinc/97/73/92/454977392.db2.gz REUXVPBKYFISCK-INIZCTEOSA-N 2 0 343.298 3.417 20 0 EGADRP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127609955 454982022 /nfs/dbraw/zinc/98/20/22/454982022.db2.gz CIBWCHHPZJVPII-IRXDYDNUSA-N 2 0 335.561 3.474 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000155604960 455021927 /nfs/dbraw/zinc/02/19/27/455021927.db2.gz QHTCVAGJRMDFKQ-ZOBUZTSGSA-N 2 0 337.533 3.011 20 0 EGADRP CC(C)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000155754785 455040573 /nfs/dbraw/zinc/04/05/73/455040573.db2.gz GZUXGQVERZRVSW-FQEVSTJZSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H]1CCN(Cc2ccc(Br)cn2)C[C@@H]1n1ccnc1 ZINC000179476330 455050217 /nfs/dbraw/zinc/05/02/17/455050217.db2.gz KFQXHLNMAQDQRB-WFASDCNBSA-N 2 0 335.249 3.124 20 0 EGADRP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000179482246 455051290 /nfs/dbraw/zinc/05/12/90/455051290.db2.gz NERDVHZHBKTPJG-QAPCUYQASA-N 2 0 327.428 3.048 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152053089 455067025 /nfs/dbraw/zinc/06/70/25/455067025.db2.gz GVKXUCWJTGWFAQ-GJYPPUQNSA-N 2 0 334.479 3.192 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000180058137 455124915 /nfs/dbraw/zinc/12/49/15/455124915.db2.gz PQDRZTGJYXWJMQ-FQEVSTJZSA-N 2 0 338.499 3.320 20 0 EGADRP C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156659008 455142380 /nfs/dbraw/zinc/14/23/80/455142380.db2.gz WQZDRAABOKAION-MSOLQXFVSA-N 2 0 333.520 3.010 20 0 EGADRP CCCC[C@@H](CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156954878 455158649 /nfs/dbraw/zinc/15/86/49/455158649.db2.gz DDBVYIOECOXSGF-VQTJNVASSA-N 2 0 345.531 3.442 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237495956 455189411 /nfs/dbraw/zinc/18/94/11/455189411.db2.gz HCIBYKHVSNICEM-PXNSSMCTSA-N 2 0 343.515 3.190 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417392 455293125 /nfs/dbraw/zinc/29/31/25/455293125.db2.gz FZROQMUBOQBNLU-HZPDHXFCSA-N 2 0 349.544 3.399 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000157634368 455215234 /nfs/dbraw/zinc/21/52/34/455215234.db2.gz KRQMQENAJOABDA-BBTUJRGHSA-N 3 0 329.532 3.348 20 0 EGADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000183054133 455218185 /nfs/dbraw/zinc/21/81/85/455218185.db2.gz SKQHKSHQNNTWEV-KSZLIROESA-N 2 0 345.531 3.180 20 0 EGADRP C[N@@H+]1CCCC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657176 460666269 /nfs/dbraw/zinc/66/62/69/460666269.db2.gz KUTFAXOZLOFRDX-WOJBJXKFSA-N 2 0 329.532 3.361 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000181163168 455297428 /nfs/dbraw/zinc/29/74/28/455297428.db2.gz IMVRDFSSWYOXHY-UXHICEINSA-N 2 0 329.532 3.171 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCCC1 ZINC000158536858 455310975 /nfs/dbraw/zinc/31/09/75/455310975.db2.gz QLAVJUMYBZYGRA-LJQANCHMSA-N 2 0 330.520 3.282 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000158895562 455335795 /nfs/dbraw/zinc/33/57/95/455335795.db2.gz UJBBUSQQTKZPCI-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246244167 455456082 /nfs/dbraw/zinc/45/60/82/455456082.db2.gz VGHMQIZIKYNABG-CVEARBPZSA-N 2 0 347.528 3.153 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000246368056 455478221 /nfs/dbraw/zinc/47/82/21/455478221.db2.gz IZQURMMKYTYKMZ-ZFWWWQNUSA-N 2 0 330.394 3.404 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000247110130 455560416 /nfs/dbraw/zinc/56/04/16/455560416.db2.gz TTYPJQSYSLMEKZ-GZBFAFLISA-N 2 0 342.430 3.157 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000247115788 455562289 /nfs/dbraw/zinc/56/22/89/455562289.db2.gz UEJZBCGKEPCMJF-OPYAIIAOSA-N 2 0 329.532 3.488 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000247166986 455568288 /nfs/dbraw/zinc/56/82/88/455568288.db2.gz ULHWWBCSZSHVRS-NUJGCVRESA-N 2 0 348.487 3.203 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247207818 455573060 /nfs/dbraw/zinc/57/30/60/455573060.db2.gz WUJFNBHVTFPXEF-OBKDMQGPSA-N 2 0 349.563 3.266 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000277561312 455597837 /nfs/dbraw/zinc/59/78/37/455597837.db2.gz PKXFXOYFCFFQFU-FQEVSTJZSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@@H]1CCC[C@@](CNC(=O)c2sccc2C[NH+](C)C)([NH+](C)C)C1 ZINC000268181455 455611224 /nfs/dbraw/zinc/61/12/24/455611224.db2.gz WEDQCHZLILYUPV-RDTXWAMCSA-N 2 0 337.533 3.050 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)cc2)CCCO1 ZINC000277623218 455617177 /nfs/dbraw/zinc/61/71/77/455617177.db2.gz BOXPDYJAQINSMX-CQSZACIVSA-N 2 0 341.293 3.040 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(C(F)(F)F)c2)CCCO1 ZINC000277640190 455621763 /nfs/dbraw/zinc/62/17/63/455621763.db2.gz CUGNMORXGVJPNO-CQSZACIVSA-N 2 0 330.394 3.296 20 0 EGADRP CC[NH+](CC)CCOCCN(Cc1cocn1)Cc1ccccc1 ZINC000277706028 455640184 /nfs/dbraw/zinc/64/01/84/455640184.db2.gz RQDGKMYLLXJWST-UHFFFAOYSA-N 2 0 331.460 3.035 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(Br)c2)CCCO1 ZINC000277735681 455650382 /nfs/dbraw/zinc/65/03/82/455650382.db2.gz JWHRQUMMCHODCV-CQSZACIVSA-N 2 0 341.293 3.040 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000271476512 455651892 /nfs/dbraw/zinc/65/18/92/455651892.db2.gz JSPVSYNLERCRDR-TUKIKUTGSA-N 2 0 331.287 3.347 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000284244493 455656692 /nfs/dbraw/zinc/65/66/92/455656692.db2.gz VHBPZGHDSSLKHS-LEWJYISDSA-N 2 0 340.515 3.062 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192658701 455663369 /nfs/dbraw/zinc/66/33/69/455663369.db2.gz PNTYTADILDPETD-GOEBONIOSA-N 2 0 346.471 3.216 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc2c(c1)CCC2 ZINC000271520850 455670158 /nfs/dbraw/zinc/67/01/58/455670158.db2.gz PORSUSBZDJLNKE-JHVJFLLYSA-N 2 0 328.500 3.204 20 0 EGADRP COc1ccc2cc(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)ccc2c1 ZINC000268406089 455675055 /nfs/dbraw/zinc/67/50/55/455675055.db2.gz FVLUHQGHEZBLLP-UHFFFAOYSA-N 2 0 342.483 3.173 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000271553196 455682146 /nfs/dbraw/zinc/68/21/46/455682146.db2.gz VGXORQMKGZDSJK-HSALFYBXSA-N 2 0 332.463 3.171 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(-c3cccnc3)c2)CCCO1 ZINC000277846674 455684218 /nfs/dbraw/zinc/68/42/18/455684218.db2.gz MHKRUGVHBHOHQI-SFHVURJKSA-N 2 0 339.483 3.339 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCCO1 ZINC000277855829 455687880 /nfs/dbraw/zinc/68/78/80/455687880.db2.gz MVTLNRMMSQAANA-CQSZACIVSA-N 2 0 346.393 3.176 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000192785265 455692477 /nfs/dbraw/zinc/69/24/77/455692477.db2.gz CSDGSANYNLWFAJ-HXUWFJFHSA-N 2 0 333.520 3.152 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccnc1 ZINC000186197170 455714086 /nfs/dbraw/zinc/71/40/86/455714086.db2.gz WGTXMJIUHLXLNN-GOSISDBHSA-N 2 0 328.460 3.048 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000248698527 455726677 /nfs/dbraw/zinc/72/66/77/455726677.db2.gz LYJMBJNPKUIANW-SUYBPPKGSA-N 2 0 347.894 3.047 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284846245 455751426 /nfs/dbraw/zinc/75/14/26/455751426.db2.gz RGRPDZAKIIHBTL-HZPDHXFCSA-N 2 0 338.293 3.369 20 0 EGADRP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268982352 455753107 /nfs/dbraw/zinc/75/31/07/455753107.db2.gz HYQPYHIWWAEGNP-KGLIPLIRSA-N 2 0 348.409 3.245 20 0 EGADRP CC[C@@H](COC)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000268985207 455754305 /nfs/dbraw/zinc/75/43/05/455754305.db2.gz PYHIHKNYINHSOE-IBGZPJMESA-N 2 0 334.504 3.072 20 0 EGADRP CCCc1nc(CN[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)cs1 ZINC000249470645 455758067 /nfs/dbraw/zinc/75/80/67/455758067.db2.gz UIXLVPTUNPKABC-WBVHZDCISA-N 2 0 339.549 3.322 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000269009969 455762481 /nfs/dbraw/zinc/76/24/81/455762481.db2.gz NJKCWZHJFZCNIF-CQSZACIVSA-N 2 0 341.902 3.373 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000269029169 455767583 /nfs/dbraw/zinc/76/75/83/455767583.db2.gz RLXXZFSBMQWZSQ-LAUBAEHRSA-N 2 0 327.516 3.113 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCO[C@H](C)C3)CC2)c1 ZINC000271845904 455784596 /nfs/dbraw/zinc/78/45/96/455784596.db2.gz LQJAUHSFHIXWMW-WOJBJXKFSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186576765 455796846 /nfs/dbraw/zinc/79/68/46/455796846.db2.gz JJZLVSYJGSIYRV-RDJZCZTQSA-N 2 0 329.488 3.418 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000186598540 455802174 /nfs/dbraw/zinc/80/21/74/455802174.db2.gz ALWDTMPDBMDGRS-RDTXWAMCSA-N 2 0 325.447 3.032 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(Cl)c1 ZINC000285265187 455814375 /nfs/dbraw/zinc/81/43/75/455814375.db2.gz XXFVTUFKVSALPS-DXJOGWAWSA-N 2 0 349.906 3.074 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000253233054 455831958 /nfs/dbraw/zinc/83/19/58/455831958.db2.gz LQAXPGPFUIIMPX-ZEOIANDVSA-N 2 0 340.511 3.444 20 0 EGADRP COc1cccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000253370048 455835095 /nfs/dbraw/zinc/83/50/95/455835095.db2.gz LGAGECULEWBOGN-ZJOUEHCJSA-N 2 0 343.515 3.049 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000253554888 455853365 /nfs/dbraw/zinc/85/33/65/455853365.db2.gz WVAZCPFYEUILPY-OXJNMPFZSA-N 2 0 337.467 3.389 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272191930 455871923 /nfs/dbraw/zinc/87/19/23/455871923.db2.gz MKJPZFRZWMFXHV-YLJYHZDGSA-N 2 0 338.499 3.148 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000187164592 455876469 /nfs/dbraw/zinc/87/64/69/455876469.db2.gz GQQRFYMTBXZUGH-NRFANRHFSA-N 2 0 331.548 3.117 20 0 EGADRP CCC[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272271692 455898559 /nfs/dbraw/zinc/89/85/59/455898559.db2.gz BOGPRVJTUZIYGO-ICSRJNTNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000261655736 455922412 /nfs/dbraw/zinc/92/24/12/455922412.db2.gz FLWKBRGNTZNOMB-NRFANRHFSA-N 2 0 347.466 3.105 20 0 EGADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OC(F)F ZINC000261698015 455929832 /nfs/dbraw/zinc/92/98/32/455929832.db2.gz OKGIUDGQVWDZCE-HNNXBMFYSA-N 2 0 340.414 3.261 20 0 EGADRP COC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)C1CCOCC1 ZINC000187876033 455963791 /nfs/dbraw/zinc/96/37/91/455963791.db2.gz GMRLZDPRBYRHFM-HXUWFJFHSA-N 2 0 334.504 3.058 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000262096954 455996493 /nfs/dbraw/zinc/99/64/93/455996493.db2.gz BVXMTQBOIZGUNR-FQEVSTJZSA-N 2 0 331.504 3.052 20 0 EGADRP c1cc2c(ncnc2N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000286283229 456016252 /nfs/dbraw/zinc/01/62/52/456016252.db2.gz IESXMQFANVTUDQ-FQEVSTJZSA-N 2 0 333.439 3.060 20 0 EGADRP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272657004 456028708 /nfs/dbraw/zinc/02/87/08/456028708.db2.gz GWYZKKJMHQPLKI-XUVXKRRUSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000188243948 456028854 /nfs/dbraw/zinc/02/88/54/456028854.db2.gz IDSXAFYPMGISHD-YSGRDPCXSA-N 2 0 334.479 3.114 20 0 EGADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272677533 456036434 /nfs/dbraw/zinc/03/64/34/456036434.db2.gz MFZKMMUCMDWRJZ-DQDQTZLSSA-N 2 0 348.556 3.034 20 0 EGADRP CCCN1Cc2cccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)c2C1 ZINC000262655744 456050506 /nfs/dbraw/zinc/05/05/06/456050506.db2.gz UILIVOVWVOGMMQ-CVEARBPZSA-N 2 0 329.488 3.377 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000262653095 456051136 /nfs/dbraw/zinc/05/11/36/456051136.db2.gz SCQSNBUVYKBVLA-OALUTQOASA-N 2 0 331.504 3.052 20 0 EGADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC[NH+](C)CC2)c1C ZINC000301376967 456103029 /nfs/dbraw/zinc/10/30/29/456103029.db2.gz WLPRETJXFQOICF-UHFFFAOYSA-N 2 0 334.261 3.366 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263258856 456115781 /nfs/dbraw/zinc/11/57/81/456115781.db2.gz QSWBEJZHGXWGRS-UYAOXDASSA-N 2 0 331.504 3.051 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000263302301 456122850 /nfs/dbraw/zinc/12/28/50/456122850.db2.gz ZSPDFDHODUEHKQ-UHOSZYNNSA-N 2 0 331.504 3.093 20 0 EGADRP C[N@@H+]1CCC[C@H](CNCc2c(F)ccc(Br)c2F)C1 ZINC000230307659 456136007 /nfs/dbraw/zinc/13/60/07/456136007.db2.gz ZVCWWDKGQYYNDU-SNVBAGLBSA-N 2 0 333.220 3.159 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000271159221 456148437 /nfs/dbraw/zinc/14/84/37/456148437.db2.gz RRWLQBWNZKJXIF-QGZVFWFLSA-N 2 0 344.528 3.002 20 0 EGADRP CCN(Cc1c(C)n[nH]c1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271183656 456160206 /nfs/dbraw/zinc/16/02/06/456160206.db2.gz LLEXUNALKBEDBV-IBGZPJMESA-N 2 0 326.488 3.371 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4=CCCOC4)[C@@H]3C2)cc1 ZINC000273077502 456170169 /nfs/dbraw/zinc/17/01/69/456170169.db2.gz PYOGJJLCFFKZFW-PWRODBHTSA-N 2 0 326.484 3.223 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236778806 456182936 /nfs/dbraw/zinc/18/29/36/456182936.db2.gz WKHZGVPOBFQAQH-LJQANCHMSA-N 2 0 331.504 3.196 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236810952 456187123 /nfs/dbraw/zinc/18/71/23/456187123.db2.gz DXZXCKBYXBXTPX-IRXDYDNUSA-N 2 0 337.895 3.111 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000236823240 456188791 /nfs/dbraw/zinc/18/87/91/456188791.db2.gz HHQDFAIFVIBWMO-XLIONFOSSA-N 2 0 345.531 3.212 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000281289898 456191593 /nfs/dbraw/zinc/19/15/93/456191593.db2.gz JEXKPLQOQCVJND-UHFFFAOYSA-N 2 0 335.517 3.155 20 0 EGADRP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000289959564 456195316 /nfs/dbraw/zinc/19/53/16/456195316.db2.gz WWAXYAIMPCLZTJ-RHSMWYFYSA-N 2 0 330.501 3.032 20 0 EGADRP FC(F)(F)c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000297397175 456209819 /nfs/dbraw/zinc/20/98/19/456209819.db2.gz KCFYPQPWSBSMGX-UHFFFAOYSA-N 2 0 336.361 3.254 20 0 EGADRP CCOc1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc(Cl)c1O ZINC000297486226 456232987 /nfs/dbraw/zinc/23/29/87/456232987.db2.gz SSWIMKBJFXSNCB-GOSISDBHSA-N 2 0 338.879 3.362 20 0 EGADRP COCCOCc1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000290165625 456256654 /nfs/dbraw/zinc/25/66/54/456256654.db2.gz XYWCSCFLAMFIQX-FQEVSTJZSA-N 2 0 334.504 3.156 20 0 EGADRP COc1ncccc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290204599 456266399 /nfs/dbraw/zinc/26/63/99/456266399.db2.gz PJZIBBCKSXHDRD-YLJYHZDGSA-N 2 0 339.483 3.275 20 0 EGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C(C)C)C(C)C)CC1 ZINC000352770315 456292378 /nfs/dbraw/zinc/29/23/78/456292378.db2.gz RFJKSDKHXNKLDH-UHFFFAOYSA-N 2 0 345.531 3.148 20 0 EGADRP COc1ccccc1CC(C)(C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352780543 456300255 /nfs/dbraw/zinc/30/02/55/456300255.db2.gz XWDWUSIEMSBVPV-UHFFFAOYSA-N 2 0 333.501 3.324 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000340201029 456311081 /nfs/dbraw/zinc/31/10/81/456311081.db2.gz IGPIBHOPCRQGJG-FUHWJXTLSA-N 2 0 336.520 3.495 20 0 EGADRP CN1CC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000340235875 456330522 /nfs/dbraw/zinc/33/05/22/456330522.db2.gz NQYCYRCTJMFGRL-TZIWHRDSSA-N 2 0 347.466 3.192 20 0 EGADRP CC(C)OC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000337340931 456346872 /nfs/dbraw/zinc/34/68/72/456346872.db2.gz PVNNCRHUGVUMIG-JKSUJKDBSA-N 2 0 337.483 3.042 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000352851087 456364169 /nfs/dbraw/zinc/36/41/69/456364169.db2.gz AAWDXYHMRPZJEG-UHFFFAOYSA-N 2 0 339.483 3.407 20 0 EGADRP COc1cc2[nH+]ccc(N(C)C[C@H]3CCC[N@H+](C)C3)c2cc1OC ZINC000298201281 456389730 /nfs/dbraw/zinc/38/97/30/456389730.db2.gz IFZNVQQAPBHSRS-AWEZNQCLSA-N 2 0 329.444 3.030 20 0 EGADRP CCCc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000337576076 456392956 /nfs/dbraw/zinc/39/29/56/456392956.db2.gz IOICKJIVQOGIBQ-HXUWFJFHSA-N 2 0 345.531 3.127 20 0 EGADRP Cc1cc(C)n(CC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000276196202 456410814 /nfs/dbraw/zinc/41/08/14/456410814.db2.gz IZLKSJCMOBMUFA-LFUKPOHLSA-N 2 0 340.515 3.246 20 0 EGADRP CN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340369592 456417306 /nfs/dbraw/zinc/41/73/06/456417306.db2.gz FJGMYLFCAMIFRL-PZJWPPBQSA-N 3 0 327.516 3.286 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1c[nH]c2nccnc12 ZINC000290858824 456449222 /nfs/dbraw/zinc/44/92/22/456449222.db2.gz KHPQOYAORRJJOV-HOTGVXAUSA-N 2 0 349.482 3.204 20 0 EGADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348084833 456465953 /nfs/dbraw/zinc/46/59/53/456465953.db2.gz MEGDXOKRMWKLCW-FGTMMUONSA-N 2 0 341.503 3.286 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000348087508 456469336 /nfs/dbraw/zinc/46/93/36/456469336.db2.gz PHQGWSRGNYXUNT-DLBZAZTESA-N 2 0 327.476 3.182 20 0 EGADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256735 456487754 /nfs/dbraw/zinc/48/77/54/456487754.db2.gz PXAYVWRVNNNWGM-WIYYLYMNSA-N 2 0 329.532 3.348 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000298596331 456497460 /nfs/dbraw/zinc/49/74/60/456497460.db2.gz YTVSOTJYFMQHNZ-RBUKOAKNSA-N 2 0 345.531 3.122 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000282392123 456499712 /nfs/dbraw/zinc/49/97/12/456499712.db2.gz RESYRCBQXWIWGM-IBGZPJMESA-N 2 0 333.520 3.008 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000310057970 456580139 /nfs/dbraw/zinc/58/01/39/456580139.db2.gz YTOQQOQVMNHWTE-HOTGVXAUSA-N 2 0 339.524 3.144 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000310067008 456580317 /nfs/dbraw/zinc/58/03/17/456580317.db2.gz FDQCMWCFMBJTME-QGZVFWFLSA-N 2 0 339.524 3.240 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353314567 456631812 /nfs/dbraw/zinc/63/18/12/456631812.db2.gz MYJCBGUHMHIITI-APWZRJJASA-N 2 0 334.504 3.364 20 0 EGADRP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccccc1 ZINC000282835404 456640671 /nfs/dbraw/zinc/64/06/71/456640671.db2.gz ZPDUYVNVROSHQG-FQEVSTJZSA-N 2 0 347.547 3.112 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000277031918 456660288 /nfs/dbraw/zinc/66/02/88/456660288.db2.gz BEYBBVAOGAYGMO-INIZCTEOSA-N 2 0 348.878 3.349 20 0 EGADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(SC)cc1OC ZINC000324026703 456660883 /nfs/dbraw/zinc/66/08/83/456660883.db2.gz AMDIXVPICZHIAX-UHFFFAOYSA-N 2 0 338.517 3.247 20 0 EGADRP CC[N@H+](CCNC(=O)c1ccccc1Oc1ccncc1)C1CC1 ZINC000338170484 456680890 /nfs/dbraw/zinc/68/08/90/456680890.db2.gz JBMYPFSVEQXXLC-UHFFFAOYSA-N 2 0 325.412 3.088 20 0 EGADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000353433532 456695376 /nfs/dbraw/zinc/69/53/76/456695376.db2.gz GVHDKAMQHPELHL-CYBMUJFWSA-N 2 0 332.469 3.447 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338195090 456698761 /nfs/dbraw/zinc/69/87/61/456698761.db2.gz MUUBTSFTTLZBNF-OAQYLSRUSA-N 2 0 338.499 3.472 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000343580871 456721919 /nfs/dbraw/zinc/72/19/19/456721919.db2.gz NVPIYLCZNMPROJ-SFHVURJKSA-N 2 0 345.531 3.054 20 0 EGADRP COC1(C[C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000277226721 456732717 /nfs/dbraw/zinc/73/27/17/456732717.db2.gz YHZZYGLQLYNPHK-QGZVFWFLSA-N 2 0 334.504 3.107 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)C1(C(=O)OC)CCC1 ZINC000353538735 456743139 /nfs/dbraw/zinc/74/31/39/456743139.db2.gz UZDZWCWIQFGONT-SFHVURJKSA-N 2 0 332.488 3.350 20 0 EGADRP CCOc1ccc([C@H](O)C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000291795277 456760901 /nfs/dbraw/zinc/76/09/01/456760901.db2.gz MVQKIEMPGNVWJE-CTNGQTDRSA-N 2 0 346.515 3.315 20 0 EGADRP Cc1ccc([C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+](C)C)cc1 ZINC000338307422 456763672 /nfs/dbraw/zinc/76/36/72/456763672.db2.gz OJBROINBLKEMLG-IBGZPJMESA-N 2 0 348.535 3.016 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1)[NH+]1CCCCC1 ZINC000292004904 456826769 /nfs/dbraw/zinc/82/67/69/456826769.db2.gz BAZVOLNEWRDLAC-IAGOWNOFSA-N 2 0 331.504 3.304 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1C ZINC000353658486 456837671 /nfs/dbraw/zinc/83/76/71/456837671.db2.gz JMCUDWQFUPANQK-WMLDXEAASA-N 2 0 347.894 3.225 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000292078291 456849135 /nfs/dbraw/zinc/84/91/35/456849135.db2.gz LVOFWFGMJJNOLQ-HXUWFJFHSA-N 2 0 343.515 3.211 20 0 EGADRP c1ccc(C[NH+]2CCC(NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000277519952 456851764 /nfs/dbraw/zinc/85/17/64/456851764.db2.gz SOFOTUPTLVMJJV-NRFANRHFSA-N 2 0 327.516 3.258 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000292109346 456856930 /nfs/dbraw/zinc/85/69/30/456856930.db2.gz KBWAGRDVJOGWHH-MAUKXSAKSA-N 2 0 333.520 3.405 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000341423304 456863870 /nfs/dbraw/zinc/86/38/70/456863870.db2.gz VFFXTFRKVDVSKD-PMACEKPBSA-N 2 0 343.515 3.156 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1OC ZINC000349155600 456901571 /nfs/dbraw/zinc/90/15/71/456901571.db2.gz WDGKXYKNUJVEOU-GOSISDBHSA-N 2 0 332.488 3.176 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339066171 456924676 /nfs/dbraw/zinc/92/46/76/456924676.db2.gz IGNDBBBQIYTPRD-SFTDATJTSA-N 3 0 327.516 3.115 20 0 EGADRP CCOc1c(Cl)cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339066868 456924691 /nfs/dbraw/zinc/92/46/91/456924691.db2.gz LCFFDSYMIDHFOW-CABCVRRESA-N 2 0 338.879 3.464 20 0 EGADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339069743 456925395 /nfs/dbraw/zinc/92/53/95/456925395.db2.gz VIBIGKPVYAEQRK-PMACEKPBSA-N 2 0 327.516 3.040 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccccc2N2CC[NH+](CC)CC2)CCS1 ZINC000353854912 456937338 /nfs/dbraw/zinc/93/73/38/456937338.db2.gz AWNWYZZYYAAKAZ-GOSISDBHSA-N 2 0 333.545 3.156 20 0 EGADRP Cc1cc2cc(C[N@H+](C)CCCN3CC[NH+](C)CC3)oc2cc1C ZINC000349315100 456939207 /nfs/dbraw/zinc/93/92/07/456939207.db2.gz JUGVPRHNGJTIAG-UHFFFAOYSA-N 2 0 329.488 3.119 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353948574 456976174 /nfs/dbraw/zinc/97/61/74/456976174.db2.gz VUIBGVPUJADGQG-RYUDHWBXSA-N 2 0 332.366 3.166 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)n1 ZINC000341907380 456995438 /nfs/dbraw/zinc/99/54/38/456995438.db2.gz ZYDUNVWEYXWIGK-LDBYXDLTSA-N 2 0 340.515 3.350 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000362648949 457025305 /nfs/dbraw/zinc/02/53/05/457025305.db2.gz DLJSTBASAMFSIU-KRWDZBQOSA-N 2 0 345.535 3.019 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000354069146 457041224 /nfs/dbraw/zinc/04/12/24/457041224.db2.gz YBPCBWMSHQEBQX-XULANKEXSA-N 2 0 349.563 3.014 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000354095704 457059749 /nfs/dbraw/zinc/05/97/49/457059749.db2.gz DKEJDWZHAQVDRI-HXUWFJFHSA-N 2 0 334.504 3.407 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000356759000 457154765 /nfs/dbraw/zinc/15/47/65/457154765.db2.gz NCJMVGBJTYWQMB-HKUYNNGSSA-N 2 0 345.531 3.276 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342218650 457175098 /nfs/dbraw/zinc/17/50/98/457175098.db2.gz MYWVQAQHEZWCEP-IBGZPJMESA-N 2 0 329.488 3.136 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000342219798 457175537 /nfs/dbraw/zinc/17/55/37/457175537.db2.gz NWBUXDZUGWBMDD-HOTGVXAUSA-N 2 0 329.488 3.135 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1)CC1CC1 ZINC000356890474 457201420 /nfs/dbraw/zinc/20/14/20/457201420.db2.gz HAQVIWBZFDVTKP-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000339680076 457209157 /nfs/dbraw/zinc/20/91/57/457209157.db2.gz FWRPBFKXQFZOQE-KRWDZBQOSA-N 2 0 335.561 3.477 20 0 EGADRP c1nc(-c2ccccn2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347102549 457229632 /nfs/dbraw/zinc/22/96/32/457229632.db2.gz MMKYOXQZCYIBBZ-INIZCTEOSA-N 2 0 328.485 3.169 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000347113869 457236782 /nfs/dbraw/zinc/23/67/82/457236782.db2.gz SFROADJYWGBXIT-INIZCTEOSA-N 2 0 325.456 3.220 20 0 EGADRP CN(Cc1ccc(Cl)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000347206820 457288657 /nfs/dbraw/zinc/28/86/57/457288657.db2.gz RVMZGIUHHBNQRF-FQEVSTJZSA-N 2 0 344.886 3.409 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000347221113 457294469 /nfs/dbraw/zinc/29/44/69/457294469.db2.gz TYWPPXZRPSNCDH-UHFFFAOYSA-N 2 0 336.501 3.001 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000347233599 457302675 /nfs/dbraw/zinc/30/26/75/457302675.db2.gz ZDYLSDKPVSSAJF-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(C(=O)OC)co2)CC1)CC1CC1 ZINC000357071899 457307514 /nfs/dbraw/zinc/30/75/14/457307514.db2.gz CVZUGEBFMKGKSU-UHFFFAOYSA-N 2 0 348.487 3.400 20 0 EGADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000357083976 457313271 /nfs/dbraw/zinc/31/32/71/457313271.db2.gz JBCKLKCJOXJVDT-OAHLLOKOSA-N 2 0 333.501 3.395 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000340114885 457337029 /nfs/dbraw/zinc/33/70/29/457337029.db2.gz CAGGFQAWLMXWMX-PMACEKPBSA-N 2 0 345.531 3.442 20 0 EGADRP CCc1nnc([C@H](C)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447852 457373399 /nfs/dbraw/zinc/37/33/99/457373399.db2.gz OVGBAZQYBMXDFV-RYQLBKOJSA-N 2 0 340.471 3.147 20 0 EGADRP CC(=O)c1ccc(NC(=O)CC[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352519317 457435347 /nfs/dbraw/zinc/43/53/47/457435347.db2.gz NTWFBZGYORWJCR-UHFFFAOYSA-N 2 0 345.487 3.059 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000360932931 457443351 /nfs/dbraw/zinc/44/33/51/457443351.db2.gz HTHNBWGOMDGKFW-OAQYLSRUSA-N 2 0 338.499 3.335 20 0 EGADRP Clc1cccc2c1OCCC[C@@H]2NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363782281 457445796 /nfs/dbraw/zinc/44/57/96/457445796.db2.gz KNAINJMJLLBLPD-KEYYUXOJSA-N 2 0 336.863 3.007 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352539929 457450873 /nfs/dbraw/zinc/45/08/73/457450873.db2.gz FCILAACKQWNOIF-LJQANCHMSA-N 2 0 325.456 3.461 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000360943518 457451992 /nfs/dbraw/zinc/45/19/92/457451992.db2.gz VDLFURYFYAPGLQ-QGZVFWFLSA-N 2 0 342.462 3.084 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000352555664 457464418 /nfs/dbraw/zinc/46/44/18/457464418.db2.gz PQGFUCQJAFLLGS-GOSISDBHSA-N 2 0 331.435 3.402 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347532169 457489289 /nfs/dbraw/zinc/48/92/89/457489289.db2.gz WBXDQVWEQUJJNG-UHFFFAOYSA-N 2 0 337.467 3.060 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342751356 457500033 /nfs/dbraw/zinc/50/00/33/457500033.db2.gz ODFUNHIUUQRTKT-FUHIMQAGSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779063 457520345 /nfs/dbraw/zinc/52/03/45/457520345.db2.gz NPUAAVVTFQUQBO-VQIMIIECSA-N 2 0 338.499 3.384 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000374241682 457541308 /nfs/dbraw/zinc/54/13/08/457541308.db2.gz OSLDZFYVKWJMHB-MOPGFXCFSA-N 2 0 344.547 3.032 20 0 EGADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404515204 457543630 /nfs/dbraw/zinc/54/36/30/457543630.db2.gz SBFITKPFIPGENC-BRWVUGGUSA-N 2 0 331.504 3.014 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361105688 457584644 /nfs/dbraw/zinc/58/46/44/457584644.db2.gz MNNAYHLDSYBEMV-UYAOXDASSA-N 2 0 326.488 3.164 20 0 EGADRP C[NH+]1CCC2(CCCN2Cc2csc(-c3ccccn3)n2)CC1 ZINC000374323669 457585251 /nfs/dbraw/zinc/58/52/51/457585251.db2.gz IUJALFDXQYZHBC-UHFFFAOYSA-N 2 0 328.485 3.265 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1)C1CC1 ZINC000356405696 457610393 /nfs/dbraw/zinc/61/03/93/457610393.db2.gz LIPVNLLMSVHHDU-OXQOHEQNSA-N 2 0 343.515 3.083 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCSc4c(F)cccc43)C2)CC1 ZINC000370638402 457688729 /nfs/dbraw/zinc/68/87/29/457688729.db2.gz XKGKSZCNTXNNEF-RDTXWAMCSA-N 2 0 349.519 3.121 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000357789902 457691046 /nfs/dbraw/zinc/69/10/46/457691046.db2.gz FSCUZIZFNLOBPK-WSTZPKSXSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370712081 457704771 /nfs/dbraw/zinc/70/47/71/457704771.db2.gz ZHBYSFVPVYJDOZ-VQIMIIECSA-N 2 0 343.540 3.359 20 0 EGADRP COCC1(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000361378457 457712173 /nfs/dbraw/zinc/71/21/73/457712173.db2.gz RATROQVLCAYSHS-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP CCc1ccc([C@@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000433078161 457752711 /nfs/dbraw/zinc/75/27/11/457752711.db2.gz UXKSWWLUWLOAFZ-JOCHJYFZSA-N 2 0 343.559 3.454 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC3(CCOCC3)CC2)C[C@H](C)O1 ZINC000358049941 457754005 /nfs/dbraw/zinc/75/40/05/457754005.db2.gz SIHKLCCGCHDZAD-ROUUACIJSA-N 2 0 338.536 3.205 20 0 EGADRP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000433113414 457760120 /nfs/dbraw/zinc/76/01/20/457760120.db2.gz DQBCDDIABZHLHT-HXUWFJFHSA-N 2 0 345.531 3.298 20 0 EGADRP CC(C)(C)C1CCC(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433132395 457763372 /nfs/dbraw/zinc/76/33/72/457763372.db2.gz XFFOWTGEJRAECX-UHFFFAOYSA-N 2 0 337.552 3.158 20 0 EGADRP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000433154457 457765498 /nfs/dbraw/zinc/76/54/98/457765498.db2.gz UECYXLVWOMEVLU-MBOZVWFJSA-N 2 0 345.531 3.012 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000361523987 457770292 /nfs/dbraw/zinc/77/02/92/457770292.db2.gz IBIZMOTXKRAFAJ-UYAOXDASSA-N 2 0 347.547 3.118 20 0 EGADRP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000443639848 457795408 /nfs/dbraw/zinc/79/54/08/457795408.db2.gz LVGCASROZPRULR-CTNGQTDRSA-N 2 0 333.564 3.469 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433344757 457816805 /nfs/dbraw/zinc/81/68/05/457816805.db2.gz UEWLPMLZGGYKRF-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c2ccccc2n1 ZINC000371299492 457854786 /nfs/dbraw/zinc/85/47/86/457854786.db2.gz HNXWEMZJRDEFGV-DZFGPLHGSA-N 2 0 339.483 3.227 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC000361791512 457861311 /nfs/dbraw/zinc/86/13/11/457861311.db2.gz ZTOJQFDHJUIDSU-MSOLQXFVSA-N 2 0 340.556 3.010 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000444226015 457870253 /nfs/dbraw/zinc/87/02/53/457870253.db2.gz OAZQRRFQOIXRAW-QGZVFWFLSA-N 2 0 347.478 3.413 20 0 EGADRP NC(=O)CCC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411438807 457888229 /nfs/dbraw/zinc/88/82/29/457888229.db2.gz KUCSBIKHDPFSJV-UHFFFAOYSA-N 2 0 343.515 3.150 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1C ZINC000411621724 457931312 /nfs/dbraw/zinc/93/13/12/457931312.db2.gz REUTXWOJJSPDHE-LPHOPBHVSA-N 2 0 330.472 3.056 20 0 EGADRP C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CCO2 ZINC000411658175 457941779 /nfs/dbraw/zinc/94/17/79/457941779.db2.gz KPQHSIVACYYSTJ-GHTZIAJQSA-N 2 0 344.499 3.052 20 0 EGADRP COCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCO[C@@H]1C ZINC000411658847 457941866 /nfs/dbraw/zinc/94/18/66/457941866.db2.gz XKTYYIUDJDIWGZ-NQIIRXRSSA-N 2 0 346.515 3.298 20 0 EGADRP C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CCO2 ZINC000411658186 457942386 /nfs/dbraw/zinc/94/23/86/457942386.db2.gz KPQHSIVACYYSTJ-WIYYLYMNSA-N 2 0 344.499 3.052 20 0 EGADRP CSc1ccccc1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411691295 457951244 /nfs/dbraw/zinc/95/12/44/457951244.db2.gz HROGDAQEXRKCTA-OAHLLOKOSA-N 2 0 349.544 3.048 20 0 EGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000358387636 457969872 /nfs/dbraw/zinc/96/98/72/457969872.db2.gz UCMVCMOXKSZTAY-LPHOPBHVSA-N 2 0 330.520 3.435 20 0 EGADRP CO[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000411808354 457983976 /nfs/dbraw/zinc/98/39/76/457983976.db2.gz SFAKPMNEOHMWIK-NCQGUEQISA-N 2 0 340.552 3.116 20 0 EGADRP C[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000375707009 458031244 /nfs/dbraw/zinc/03/12/44/458031244.db2.gz WXBQVEDLMWRHSF-XZOQPEGZSA-N 2 0 349.522 3.338 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccccc2C1 ZINC000371881016 458107573 /nfs/dbraw/zinc/10/75/73/458107573.db2.gz CPVVHSBPVPTSSO-HXUWFJFHSA-N 2 0 343.515 3.192 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)c1 ZINC000428301576 458116931 /nfs/dbraw/zinc/11/69/31/458116931.db2.gz AXPXXVLWTAVPPK-QGZVFWFLSA-N 2 0 331.847 3.301 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000435374158 458124921 /nfs/dbraw/zinc/12/49/21/458124921.db2.gz WMNUTHUMHBUOHY-LBPRGKRZSA-N 2 0 348.441 3.327 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435377139 458126397 /nfs/dbraw/zinc/12/63/97/458126397.db2.gz YJTFVKZOHZZINK-AEFFLSMTSA-N 2 0 347.466 3.103 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000435382160 458130367 /nfs/dbraw/zinc/13/03/67/458130367.db2.gz ZUCFDDOFRDXUTP-IHPCNDPISA-N 2 0 337.467 3.316 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@H]21 ZINC000435384897 458132915 /nfs/dbraw/zinc/13/29/15/458132915.db2.gz OTAVXNWYKJAZHT-DFQSSKMNSA-N 2 0 337.467 3.220 20 0 EGADRP Cn1ccnc1C[N@H+](CC1CCCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420091 458141044 /nfs/dbraw/zinc/14/10/44/458141044.db2.gz BFYPURMHWAHWJQ-GOSISDBHSA-N 2 0 330.520 3.335 20 0 EGADRP Cc1nc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)oc1C ZINC000435691994 458185437 /nfs/dbraw/zinc/18/54/37/458185437.db2.gz IGKMDTHHAMYQEY-INIZCTEOSA-N 2 0 331.485 3.497 20 0 EGADRP CC(C)[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000376098313 458195092 /nfs/dbraw/zinc/19/50/92/458195092.db2.gz VFMJZSWUIOUGQT-SFTDATJTSA-N 2 0 329.532 3.138 20 0 EGADRP C[NH2+]CCCN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000435884985 458218610 /nfs/dbraw/zinc/21/86/10/458218610.db2.gz ZIGSWMFIDXYACY-IBGZPJMESA-N 2 0 346.496 3.322 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)CC1 ZINC000372199648 458229289 /nfs/dbraw/zinc/22/92/89/458229289.db2.gz ICHZXEQPKVALJX-FPOVZHCZSA-N 2 0 345.506 3.303 20 0 EGADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000436295917 458283715 /nfs/dbraw/zinc/28/37/15/458283715.db2.gz IFEBBIHUTIVHGF-LPHOPBHVSA-N 2 0 331.504 3.408 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459324442 458330337 /nfs/dbraw/zinc/33/03/37/458330337.db2.gz KOMRSAJPPJTYEL-IRXDYDNUSA-N 2 0 328.504 3.440 20 0 EGADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc21 ZINC000459383647 458352822 /nfs/dbraw/zinc/35/28/22/458352822.db2.gz GVJSDKMLHAVPEU-QGZVFWFLSA-N 2 0 336.483 3.091 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC3(CC3)C(=O)O2)CCN1Cc1ccccc1 ZINC000373037468 458382354 /nfs/dbraw/zinc/38/23/54/458382354.db2.gz WSAFMXFISXFSQI-NZSAHSFTSA-N 2 0 342.483 3.067 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000376882174 458413831 /nfs/dbraw/zinc/41/38/31/458413831.db2.gz OKILKSGLSUBJIA-LSJNQWAISA-N 2 0 335.923 3.202 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000437022200 458422975 /nfs/dbraw/zinc/42/29/75/458422975.db2.gz NNNWGDJPMJJJFN-WMZOPIPTSA-N 2 0 332.488 3.094 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000430229730 458425849 /nfs/dbraw/zinc/42/58/49/458425849.db2.gz YPMZLHAIZHPCEV-AVRDEDQJSA-N 2 0 341.543 3.023 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423440831 458433613 /nfs/dbraw/zinc/43/36/13/458433613.db2.gz XNYDZKIPIIWTFZ-INIZCTEOSA-N 2 0 331.504 3.194 20 0 EGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423522788 458451174 /nfs/dbraw/zinc/45/11/74/458451174.db2.gz RSWPPNMAYZSNHC-GJZGRUSLSA-N 2 0 328.909 3.179 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000423551862 458457339 /nfs/dbraw/zinc/45/73/39/458457339.db2.gz ULJBCXSUBHZWHY-RFQIPJPRSA-N 2 0 338.879 3.396 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000430564347 458462098 /nfs/dbraw/zinc/46/20/98/458462098.db2.gz ZGQVBGSGVHGTQY-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccc2ccccc2c1 ZINC000423612379 458464034 /nfs/dbraw/zinc/46/40/34/458464034.db2.gz OIPBWRHHUQLWEQ-UXHICEINSA-N 2 0 339.483 3.254 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000430595902 458469105 /nfs/dbraw/zinc/46/91/05/458469105.db2.gz VTORFLJVZGBMCR-UHFFFAOYSA-N 2 0 335.398 3.441 20 0 EGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1cccc2ccccc21 ZINC000430598390 458469394 /nfs/dbraw/zinc/46/93/94/458469394.db2.gz CXZZMMCGDSMNHZ-CVEARBPZSA-N 2 0 339.483 3.076 20 0 EGADRP C[NH2+]C[C@H]1CCCN(CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430621674 458471936 /nfs/dbraw/zinc/47/19/36/458471936.db2.gz CWZVXEMDELZRFA-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459782592 458477556 /nfs/dbraw/zinc/47/75/56/458477556.db2.gz MRJLQLZPLRUQNA-IAGOWNOFSA-N 2 0 334.504 3.265 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC3 ZINC000459786678 458479232 /nfs/dbraw/zinc/47/92/32/458479232.db2.gz PGPDYFPLLGCSQV-HOTGVXAUSA-N 2 0 341.499 3.355 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)c1OC ZINC000459792558 458479944 /nfs/dbraw/zinc/47/99/44/458479944.db2.gz SKKZQXIHPBINOE-DOTOQJQBSA-N 2 0 334.504 3.265 20 0 EGADRP CCN(C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)c1cccc2ccccc21 ZINC000430941683 458508986 /nfs/dbraw/zinc/50/89/86/458508986.db2.gz YCFSVRPBSPXFSJ-MRXNPFEDSA-N 2 0 339.483 3.252 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423909193 458511185 /nfs/dbraw/zinc/51/11/85/458511185.db2.gz UAURGCMCAIJFRZ-IEBWSBKVSA-N 2 0 345.531 3.168 20 0 EGADRP Fc1cc(Br)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431038856 458519661 /nfs/dbraw/zinc/51/96/61/458519661.db2.gz FONRBZMGRPFZPD-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000431048254 458520687 /nfs/dbraw/zinc/52/06/87/458520687.db2.gz FDPBFESAGYTOTH-RTBURBONSA-N 2 0 335.536 3.055 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000431063233 458523927 /nfs/dbraw/zinc/52/39/27/458523927.db2.gz YVILCOKMNVYUQP-GTAWCEEGSA-N 2 0 343.515 3.236 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424145401 458570369 /nfs/dbraw/zinc/57/03/69/458570369.db2.gz NMFUNEXKBLYLES-MOPGFXCFSA-N 2 0 337.552 3.255 20 0 EGADRP Cc1cc(F)c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000424150251 458571723 /nfs/dbraw/zinc/57/17/23/458571723.db2.gz YLXWSEJCNSZKJB-GASCZTMLSA-N 2 0 326.431 3.252 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000438551735 458596679 /nfs/dbraw/zinc/59/66/79/458596679.db2.gz GEEVKOVECOIZTB-ZWKOTPCHSA-N 2 0 347.503 3.186 20 0 EGADRP FC(F)c1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000424293694 458606134 /nfs/dbraw/zinc/60/61/34/458606134.db2.gz PPHQPGHXKLOSQX-UHFFFAOYSA-N 2 0 332.398 3.261 20 0 EGADRP CN1CC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000424324370 458616308 /nfs/dbraw/zinc/61/63/08/458616308.db2.gz MAWMQTAPGLRUBR-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)C[C@@H]1C ZINC000438819854 458616197 /nfs/dbraw/zinc/61/61/97/458616197.db2.gz NEQYSWULOPOLSJ-GOEBONIOSA-N 2 0 335.467 3.267 20 0 EGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000424388054 458631524 /nfs/dbraw/zinc/63/15/24/458631524.db2.gz ZBUQSIJKZHMIGS-CVEARBPZSA-N 2 0 334.479 3.477 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000424443921 458645051 /nfs/dbraw/zinc/64/50/51/458645051.db2.gz LUSIDBCLCLZJCD-MRXNPFEDSA-N 2 0 332.492 3.230 20 0 EGADRP CCOc1cc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1OCC ZINC000462868325 458663733 /nfs/dbraw/zinc/66/37/33/458663733.db2.gz AYLUVCZCAYGRTP-LSDHHAIUSA-N 2 0 343.471 3.349 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC000546723445 458666547 /nfs/dbraw/zinc/66/65/47/458666547.db2.gz KZRPGZGCWZLZSB-IBGZPJMESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000503492988 458710813 /nfs/dbraw/zinc/71/08/13/458710813.db2.gz VLROXTWWBMKGPW-LJQANCHMSA-N 2 0 331.504 3.429 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503920972 458729407 /nfs/dbraw/zinc/72/94/07/458729407.db2.gz OQEGIORYQQBDQX-SFHVURJKSA-N 2 0 340.556 3.011 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000503925766 458729587 /nfs/dbraw/zinc/72/95/87/458729587.db2.gz DPUNWNDYHMXOHU-IAOVAPTHSA-N 2 0 342.430 3.438 20 0 EGADRP Fc1ccc2oc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000530249055 458730391 /nfs/dbraw/zinc/73/03/91/458730391.db2.gz TUYYJSWPESBQBL-QGZVFWFLSA-N 2 0 332.419 3.162 20 0 EGADRP CCc1nc(C)c([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)s1 ZINC000432420794 458737423 /nfs/dbraw/zinc/73/74/23/458737423.db2.gz MQMMYIFAEFYTNI-KBPBESRZSA-N 2 0 325.522 3.165 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)cc2c1C ZINC000472036804 458762300 /nfs/dbraw/zinc/76/23/00/458762300.db2.gz ZRBGMZURERUXJT-OAQYLSRUSA-N 2 0 342.531 3.146 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(C(F)(F)F)s1 ZINC000432724553 458774826 /nfs/dbraw/zinc/77/48/26/458774826.db2.gz ZRABZAYRWRXLNY-KWCYVHTRSA-N 2 0 348.434 3.450 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472452299 458797379 /nfs/dbraw/zinc/79/73/79/458797379.db2.gz XJWIBYRGQUFWDX-FUHWJXTLSA-N 2 0 343.515 3.240 20 0 EGADRP CC[C@H](F)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000440614532 458833592 /nfs/dbraw/zinc/83/35/92/458833592.db2.gz UBLAIVAGSZZEJZ-CABCVRRESA-N 2 0 325.447 3.366 20 0 EGADRP Cc1cccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000518269502 458852689 /nfs/dbraw/zinc/85/26/89/458852689.db2.gz FKVYCGNOBGAIAE-JOCHJYFZSA-N 2 0 337.511 3.463 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000457104126 458868361 /nfs/dbraw/zinc/86/83/61/458868361.db2.gz BNLZPPCEQOUJKL-HNNXBMFYSA-N 2 0 343.471 3.049 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000495527260 458875930 /nfs/dbraw/zinc/87/59/30/458875930.db2.gz ZMBNHDYRUSQEJW-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000495527262 458876144 /nfs/dbraw/zinc/87/61/44/458876144.db2.gz ZMBNHDYRUSQEJW-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000474882049 458904475 /nfs/dbraw/zinc/90/44/75/458904475.db2.gz XUGAZSUCALAYJO-PKOBYXMFSA-N 2 0 346.515 3.466 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1(C)C ZINC000441356084 458927052 /nfs/dbraw/zinc/92/70/52/458927052.db2.gz HCPQMNVBNXIIMJ-UHFFFAOYSA-N 2 0 337.511 3.469 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000566433744 458931645 /nfs/dbraw/zinc/93/16/45/458931645.db2.gz VMIVDJKBIXOFLX-XLIONFOSSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000519387592 458943202 /nfs/dbraw/zinc/94/32/02/458943202.db2.gz MQQBYLDIQZOARC-UTKZUKDTSA-N 2 0 326.484 3.065 20 0 EGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000566482991 458946906 /nfs/dbraw/zinc/94/69/06/458946906.db2.gz QVRQDPHTCGGEGC-SWHYSGLUSA-N 2 0 329.257 3.379 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2Cl)N1CC[NH+](C)CC1 ZINC000531691238 458960403 /nfs/dbraw/zinc/96/04/03/458960403.db2.gz NKFYQCIUBNFITF-RBUKOAKNSA-N 2 0 335.923 3.189 20 0 EGADRP CCN(CCO)CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556573478 458973981 /nfs/dbraw/zinc/97/39/81/458973981.db2.gz KICSHNMOEGZHRX-DLBZAZTESA-N 2 0 344.421 3.245 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000556665207 458984445 /nfs/dbraw/zinc/98/44/45/458984445.db2.gz BQKONQLRNVIALG-DNVCBOLYSA-N 2 0 344.503 3.087 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2C)[C@H](C)C1 ZINC000531953947 459006795 /nfs/dbraw/zinc/00/67/95/459006795.db2.gz KZFNFYRSWSFJCW-UXHICEINSA-N 2 0 348.531 3.409 20 0 EGADRP CN(C[C@H](O)C[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1)C1CC1 ZINC000519846575 459014583 /nfs/dbraw/zinc/01/45/83/459014583.db2.gz CLJDSZKJWYPNLG-RSPADSSTSA-N 2 0 328.500 3.400 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc(C4CC4)s3)CC2)CC1 ZINC000577497754 459042575 /nfs/dbraw/zinc/04/25/75/459042575.db2.gz PYNSAADLOMRAJG-UHFFFAOYSA-N 2 0 348.560 3.013 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532200481 459046341 /nfs/dbraw/zinc/04/63/41/459046341.db2.gz LXZGWPVWUDKIEO-MRXNPFEDSA-N 2 0 329.488 3.344 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1(C)C ZINC000442876951 459050359 /nfs/dbraw/zinc/05/03/59/459050359.db2.gz SWHNYPQCHOWSME-LJQANCHMSA-N 2 0 329.532 3.415 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1(C)C ZINC000442889299 459054791 /nfs/dbraw/zinc/05/47/91/459054791.db2.gz JYAIZGXYFSICND-PMACEKPBSA-N 2 0 329.532 3.013 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442928007 459062169 /nfs/dbraw/zinc/06/21/69/459062169.db2.gz PACCHCQACCCAFI-LBPRGKRZSA-N 2 0 327.266 3.019 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(C)(C)O ZINC000477868739 459063114 /nfs/dbraw/zinc/06/31/14/459063114.db2.gz VZHDVPNAUKKNLP-NMLBUPMWSA-N 2 0 330.516 3.282 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477919212 459066261 /nfs/dbraw/zinc/06/62/61/459066261.db2.gz RONHJAZHBZSXSZ-HNNXBMFYSA-N 2 0 335.467 3.254 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477917677 459066539 /nfs/dbraw/zinc/06/65/39/459066539.db2.gz OIVCUIZEOHHUTN-AZUAARDMSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000477931108 459067756 /nfs/dbraw/zinc/06/77/56/459067756.db2.gz YIBZZWRMZOITNH-QUCCMNQESA-N 2 0 329.532 3.361 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000443057500 459078866 /nfs/dbraw/zinc/07/88/66/459078866.db2.gz GSMXLQSGBRNWAO-SFHVURJKSA-N 2 0 343.515 3.413 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058289 459079151 /nfs/dbraw/zinc/07/91/51/459079151.db2.gz JWTXZNFDJFGAHC-OLZOCXBDSA-N 2 0 343.393 3.093 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CNc2ccncc2Cl)cc1 ZINC000478223755 459081792 /nfs/dbraw/zinc/08/17/92/459081792.db2.gz GCAYYJYLHXUCFT-UHFFFAOYSA-N 2 0 333.863 3.490 20 0 EGADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000532516939 459104674 /nfs/dbraw/zinc/10/46/74/459104674.db2.gz SAHSWBUKCAGQFF-IPJJNNNSSA-N 2 0 338.495 3.405 20 0 EGADRP CCc1ccc(NC(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000532538223 459107681 /nfs/dbraw/zinc/10/76/81/459107681.db2.gz NYQDDEDQDZJRQX-UHFFFAOYSA-N 2 0 331.504 3.240 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000521037316 459114199 /nfs/dbraw/zinc/11/41/99/459114199.db2.gz DJNNKDSNLQAQQN-IRXDYDNUSA-N 2 0 331.504 3.065 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000567678262 459143594 /nfs/dbraw/zinc/14/35/94/459143594.db2.gz OJFBFACOMRVYNT-SBHAEUEKSA-N 2 0 332.532 3.328 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000496304009 459144191 /nfs/dbraw/zinc/14/41/91/459144191.db2.gz HOYDQICQHANHOA-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)C[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000521380189 459145609 /nfs/dbraw/zinc/14/56/09/459145609.db2.gz OCOAXPORZDICHE-IEBWSBKVSA-N 2 0 333.520 3.208 20 0 EGADRP COc1cccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000480312594 459193514 /nfs/dbraw/zinc/19/35/14/459193514.db2.gz ZKFZXRLOWLKKEU-HKUYNNGSSA-N 2 0 339.483 3.481 20 0 EGADRP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000594966611 459197590 /nfs/dbraw/zinc/19/75/90/459197590.db2.gz NJRVVRPIOYFCSH-CDMIOBSGSA-N 2 0 326.550 3.063 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCC[C@@H](C)C1 ZINC000480625094 459209422 /nfs/dbraw/zinc/20/94/22/459209422.db2.gz MOHCHGOESDQMMW-QRVBRYPASA-N 2 0 347.547 3.398 20 0 EGADRP C[C@H](CN1CCCCCC1)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000480658193 459211157 /nfs/dbraw/zinc/21/11/57/459211157.db2.gz AEDNGKURGNCJRN-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP COCC[N@H+](C)CC[C@@H](N[C@@H](C)c1cncnc1C)c1ccccc1 ZINC000578522365 459215425 /nfs/dbraw/zinc/21/54/25/459215425.db2.gz JLVMALPTVGLNLK-FXAWDEMLSA-N 2 0 342.487 3.145 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000568140261 459231175 /nfs/dbraw/zinc/23/11/75/459231175.db2.gz CHMYEIQUSNDZMV-DOTOQJQBSA-N 2 0 344.499 3.182 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000595065518 459235043 /nfs/dbraw/zinc/23/50/43/459235043.db2.gz CYLICGIHAYADRQ-INIZCTEOSA-N 2 0 347.503 3.004 20 0 EGADRP CC(C)c1nnc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000559790520 459277405 /nfs/dbraw/zinc/27/74/05/459277405.db2.gz YBTBYSPCACTGGY-UAGQMJEPSA-N 2 0 327.476 3.414 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000581958326 459282848 /nfs/dbraw/zinc/28/28/48/459282848.db2.gz VGWHRNDBQUHEOD-FQEVSTJZSA-N 2 0 349.950 3.278 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)[C@@H](C)C1 ZINC000559912281 459284715 /nfs/dbraw/zinc/28/47/15/459284715.db2.gz VOTHPXAUAUSFIM-MAUKXSAKSA-N 2 0 348.560 3.374 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000482157098 459294782 /nfs/dbraw/zinc/29/47/82/459294782.db2.gz ZVBYUSYVBYDLGL-IBGZPJMESA-N 2 0 328.500 3.218 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCCCC1 ZINC000482255951 459299473 /nfs/dbraw/zinc/29/94/73/459299473.db2.gz GCOCOCLPVHJJLV-HXUWFJFHSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)C[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000496729618 459303008 /nfs/dbraw/zinc/30/30/08/459303008.db2.gz DOGJFXQYFMSWPZ-QGZVFWFLSA-N 2 0 341.540 3.388 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)cc1)C(C)C ZINC000523455775 459305459 /nfs/dbraw/zinc/30/54/59/459305459.db2.gz JUGSOXOIGXHFJS-IBGZPJMESA-N 2 0 345.531 3.377 20 0 EGADRP Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000582122818 459311930 /nfs/dbraw/zinc/31/19/30/459311930.db2.gz DGQLIMHENSYWBC-HOTGVXAUSA-N 2 0 329.419 3.302 20 0 EGADRP CO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000560285161 459318620 /nfs/dbraw/zinc/31/86/20/459318620.db2.gz FLFRKAUGFWTGRZ-QZTJIDSGSA-N 2 0 340.552 3.260 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000496781691 459322824 /nfs/dbraw/zinc/32/28/24/459322824.db2.gz OGRYVXPNPLTPLP-HOTGVXAUSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000560944268 459407539 /nfs/dbraw/zinc/40/75/39/459407539.db2.gz CEYNWJDPUZUPRJ-QWHCGFSZSA-N 2 0 343.393 3.012 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2ccccc21 ZINC000591582545 459407486 /nfs/dbraw/zinc/40/74/86/459407486.db2.gz JXOBGDZLZMNMGX-LZQZEXGQSA-N 2 0 342.483 3.433 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2c(OC)c1 ZINC000484310747 459411619 /nfs/dbraw/zinc/41/16/19/459411619.db2.gz PTVHKDFWQDEYDZ-KBXCAEBGSA-N 2 0 345.487 3.048 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000484310748 459411750 /nfs/dbraw/zinc/41/17/50/459411750.db2.gz PTVHKDFWQDEYDZ-RDTXWAMCSA-N 2 0 345.487 3.048 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCC2 ZINC000569456867 459454422 /nfs/dbraw/zinc/45/44/22/459454422.db2.gz GTBIKCHJAUAVGL-HXUWFJFHSA-N 2 0 347.572 3.403 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000486248899 459495031 /nfs/dbraw/zinc/49/50/31/459495031.db2.gz HNQARBGQWCUCEK-YQVWRLOYSA-N 2 0 345.531 3.210 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000525874991 459509172 /nfs/dbraw/zinc/50/91/72/459509172.db2.gz DDLZCUDSMVDIQO-RTWAWAEBSA-N 2 0 329.532 3.114 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000569924579 459531846 /nfs/dbraw/zinc/53/18/46/459531846.db2.gz ZMYUTIKRTRAWCZ-IBGZPJMESA-N 2 0 345.531 3.291 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000498011439 459565206 /nfs/dbraw/zinc/56/52/06/459565206.db2.gz OTUCQYSCSRTLTN-QYZOEREBSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000562502981 459574251 /nfs/dbraw/zinc/57/42/51/459574251.db2.gz RUDMEVARRHQRNU-YRPNKDGESA-N 2 0 340.552 3.017 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CCC2)o1 ZINC000542670759 459580437 /nfs/dbraw/zinc/58/04/37/459580437.db2.gz KHXMCZNQMSQPMJ-QUCCMNQESA-N 2 0 333.520 3.291 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527231450 459612014 /nfs/dbraw/zinc/61/20/14/459612014.db2.gz ISDFEAWCOOPEBR-QZTJIDSGSA-N 2 0 338.442 3.482 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000527348790 459632439 /nfs/dbraw/zinc/63/24/39/459632439.db2.gz WOTMEIBTUZVDRN-NHCUHLMSSA-N 2 0 329.532 3.015 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000573436746 459677277 /nfs/dbraw/zinc/67/72/77/459677277.db2.gz FUSZTMWYMIYBFG-LZQZEXGQSA-N 2 0 335.923 3.455 20 0 EGADRP C[N@H+](CCC[NH2+]CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000562986653 459687098 /nfs/dbraw/zinc/68/70/98/459687098.db2.gz QQTQPUCVSIWNGG-UHFFFAOYSA-N 2 0 325.456 3.127 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1 ZINC000562987617 459687586 /nfs/dbraw/zinc/68/75/86/459687586.db2.gz TYEXQMBRPYOUNW-DYESRHJHSA-N 2 0 326.484 3.393 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CC[C@@H](C)C1 ZINC000584433324 459736260 /nfs/dbraw/zinc/73/62/60/459736260.db2.gz VUQCYBUJZHJRLQ-CHWSQXEVSA-N 2 0 343.284 3.451 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC[NH+]3CCCCC3)C2)s1 ZINC000563217237 459741290 /nfs/dbraw/zinc/74/12/90/459741290.db2.gz MSHODVNOUQFXKY-GOSISDBHSA-N 2 0 335.561 3.296 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527845100 459756822 /nfs/dbraw/zinc/75/68/22/459756822.db2.gz CCEIWKSQRZDINX-FXAWDEMLSA-N 2 0 327.516 3.102 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527858891 459761159 /nfs/dbraw/zinc/76/11/59/459761159.db2.gz MLTRXMMWPXZOKY-VDGAXYAQSA-N 2 0 328.500 3.210 20 0 EGADRP CCc1ccc(-c2noc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000584529878 459762723 /nfs/dbraw/zinc/76/27/23/459762723.db2.gz CUCGSVNIZWOZQQ-GOSISDBHSA-N 2 0 340.471 3.121 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC[N@H+](CC2CCC2)CC1)c1ccccc1 ZINC000584729053 459792285 /nfs/dbraw/zinc/79/22/85/459792285.db2.gz CEIPVUGATBMWGM-HXUWFJFHSA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCOC(C)(C)C)c1ccccc1O2 ZINC000584815675 459807055 /nfs/dbraw/zinc/80/70/55/459807055.db2.gz SJONZHISVIVUMW-QGZVFWFLSA-N 2 0 332.488 3.379 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000584834175 459810942 /nfs/dbraw/zinc/81/09/42/459810942.db2.gz CDARGUDSLZKOJK-UHFFFAOYSA-N 2 0 340.471 3.042 20 0 EGADRP C(=C\c1ccccc1)\C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000588177645 459926128 /nfs/dbraw/zinc/92/61/28/459926128.db2.gz PZPKFGOHBYVXKR-QPEQYQDCSA-N 2 0 349.522 3.497 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000602467722 459953479 /nfs/dbraw/zinc/95/34/79/459953479.db2.gz YUMRNIHEIQJTOJ-BXKJMJEDSA-N 2 0 341.543 3.337 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2-n2cncn2)c1 ZINC000588689519 459970415 /nfs/dbraw/zinc/97/04/15/459970415.db2.gz WWZHDIZIDBCNKW-UHFFFAOYSA-N 2 0 349.482 3.397 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2ccccc21 ZINC000599069671 460150973 /nfs/dbraw/zinc/15/09/73/460150973.db2.gz IFADHBGMVMXTJN-DBVUQKKJSA-N 2 0 344.499 3.490 20 0 EGADRP CCC(C)(C)[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000576794629 460212730 /nfs/dbraw/zinc/21/27/30/460212730.db2.gz YAFHGXJISCQRPR-HNNXBMFYSA-N 2 0 325.541 3.027 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798894 460267912 /nfs/dbraw/zinc/26/79/12/460267912.db2.gz HPXXKNDJBPISLK-UWJYYQICSA-N 2 0 342.483 3.361 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622550163 460276301 /nfs/dbraw/zinc/27/63/01/460276301.db2.gz ACUUSIMHSXGGSC-IBGZPJMESA-N 2 0 335.536 3.118 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622569216 460280974 /nfs/dbraw/zinc/28/09/74/460280974.db2.gz WCBYMJNYPXVIFV-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H]1C[N@H+](CCCC[NH+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000625932517 460308206 /nfs/dbraw/zinc/30/82/06/460308206.db2.gz AMUWRAAKTLKYNQ-ZRNYENFQSA-N 2 0 338.536 3.014 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000619425898 460352545 /nfs/dbraw/zinc/35/25/45/460352545.db2.gz LSOLUUPBBNSFCL-SFHVURJKSA-N 2 0 332.488 3.078 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)C1(F)F ZINC000628391376 460396114 /nfs/dbraw/zinc/39/61/14/460396114.db2.gz YGFCHZHOVMJJOJ-GASCZTMLSA-N 2 0 326.431 3.350 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000600190857 460430247 /nfs/dbraw/zinc/43/02/47/460430247.db2.gz NHUNKGLECMDMAS-KRWDZBQOSA-N 2 0 332.488 3.463 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3ncccc32)c1 ZINC000631568621 460447479 /nfs/dbraw/zinc/44/74/79/460447479.db2.gz ALIXMPFSXNOQFI-FQEVSTJZSA-N 2 0 325.456 3.189 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631576855 460452439 /nfs/dbraw/zinc/45/24/39/460452439.db2.gz ZWVKHCAQHBOWME-TUFLPTIASA-N 2 0 340.511 3.098 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000631665032 460500287 /nfs/dbraw/zinc/50/02/87/460500287.db2.gz UOFUUBXVVYDSSU-WIYYLYMNSA-N 2 0 341.543 3.219 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1)C(C)C ZINC000634761443 460513128 /nfs/dbraw/zinc/51/31/28/460513128.db2.gz BNPBKJCRYQECHO-LJQANCHMSA-N 2 0 345.531 3.425 20 0 EGADRP Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000629533184 460799339 /nfs/dbraw/zinc/79/93/39/460799339.db2.gz MFEQSRNQOURIIF-LSDHHAIUSA-N 2 0 329.419 3.302 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000607281699 460820009 /nfs/dbraw/zinc/82/00/09/460820009.db2.gz YDEMDRRREZOROD-BBWFWOEESA-N 2 0 331.504 3.105 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635573529 460838121 /nfs/dbraw/zinc/83/81/21/460838121.db2.gz GQKKHFSBPDOORB-QGZVFWFLSA-N 2 0 345.531 3.306 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCCC2)c2ccccc21 ZINC000624078155 460847874 /nfs/dbraw/zinc/84/78/74/460847874.db2.gz UPEFDIKLILOZER-QUCCMNQESA-N 2 0 341.499 3.481 20 0 EGADRP COc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1OC ZINC000629694408 460869185 /nfs/dbraw/zinc/86/91/85/460869185.db2.gz VQQCFBSERUHGTM-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000624121240 460870402 /nfs/dbraw/zinc/87/04/02/460870402.db2.gz QXXAHDOEVACIKJ-ZGGTZUKQSA-N 2 0 341.499 3.141 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120851 460870819 /nfs/dbraw/zinc/87/08/19/460870819.db2.gz IJPVOYWXEMRMOP-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP C[NH2+]CC1(c2ccc(-c3ccccc3C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000629735320 460897280 /nfs/dbraw/zinc/89/72/80/460897280.db2.gz RAIVLTIUSPRHRS-UHFFFAOYSA-N 2 0 349.522 3.352 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000635728463 460900049 /nfs/dbraw/zinc/90/00/49/460900049.db2.gz XWOJYKHAUVKVIS-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000629971141 460980607 /nfs/dbraw/zinc/98/06/07/460980607.db2.gz ASOBMPOVQKTMQC-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C34CCC[NH+](CCC3)C4)ccc21 ZINC000635997530 461002288 /nfs/dbraw/zinc/00/22/88/461002288.db2.gz WMJUTMFVNUMZTF-SFHVURJKSA-N 2 0 327.472 3.050 20 0 EGADRP O[C@@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644781 461024284 /nfs/dbraw/zinc/02/42/84/461024284.db2.gz YVCXHYUCFIRHOV-NRFANRHFSA-N 2 0 330.516 3.178 20 0 EGADRP CN(C)c1c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc(F)c1F ZINC000628280296 461071853 /nfs/dbraw/zinc/07/18/53/461071853.db2.gz ZHIUNQTWSASEQJ-OAHLLOKOSA-N 2 0 337.458 3.195 20 0 EGADRP CC(C)n1cc(C2=CCC[N@@H+]([C@H]3CC[NH+](C)C(C)(C)C3)CC2)nn1 ZINC000628298776 461080117 /nfs/dbraw/zinc/08/01/17/461080117.db2.gz QZFWOBKWIXFBCS-KRWDZBQOSA-N 2 0 331.508 3.211 20 0 EGADRP CC[C@@H](OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000649489043 461122724 /nfs/dbraw/zinc/12/27/24/461122724.db2.gz JDJVBYKPKJRWPV-OAQYLSRUSA-N 2 0 346.515 3.199 20 0 EGADRP Clc1ccc(Cl)c(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000652353103 461147733 /nfs/dbraw/zinc/14/77/33/461147733.db2.gz BKJFUZMTTOTHNI-CYBMUJFWSA-N 2 0 328.287 3.115 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2)n1 ZINC000652355110 461151307 /nfs/dbraw/zinc/15/13/07/461151307.db2.gz PMBMHJTXNATPOE-QRWLVFNGSA-N 2 0 326.488 3.438 20 0 EGADRP COc1ccc(-c2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000662272326 461157976 /nfs/dbraw/zinc/15/79/76/461157976.db2.gz DYZJHSYVQCNEFC-KRWDZBQOSA-N 2 0 341.455 3.172 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000662282165 461164806 /nfs/dbraw/zinc/16/48/06/461164806.db2.gz SVKTZIHWVIZBCL-RDJZCZTQSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000662286942 461167258 /nfs/dbraw/zinc/16/72/58/461167258.db2.gz UQDNVWXKDXRXSK-HDAAZOAOSA-N 2 0 328.500 3.325 20 0 EGADRP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294187 461173920 /nfs/dbraw/zinc/17/39/20/461173920.db2.gz PQHWEZSYFWBPCG-SJLPKXTDSA-N 2 0 339.487 3.040 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Cl ZINC000662295664 461174633 /nfs/dbraw/zinc/17/46/33/461174633.db2.gz HODNFYVKJLADJD-INIZCTEOSA-N 2 0 349.906 3.380 20 0 EGADRP CC[C@H](OCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000649566130 461181005 /nfs/dbraw/zinc/18/10/05/461181005.db2.gz CSLOTPKXYNZFBC-MXEMCNAFSA-N 2 0 346.515 3.338 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317354 461190177 /nfs/dbraw/zinc/19/01/77/461190177.db2.gz QJCJDIBEKZMWCZ-SJLPKXTDSA-N 2 0 347.503 3.253 20 0 EGADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(C[NH+]2CCCC2)c1 ZINC000655352893 461202052 /nfs/dbraw/zinc/20/20/52/461202052.db2.gz QGSKMRHIWYNQHI-UXHICEINSA-N 2 0 341.499 3.029 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000662347929 461203350 /nfs/dbraw/zinc/20/33/50/461203350.db2.gz MHLIVOKUAQKNJF-JKSUJKDBSA-N 2 0 337.533 3.012 20 0 EGADRP COCCc1ccc(OC[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000668244504 461204359 /nfs/dbraw/zinc/20/43/59/461204359.db2.gz CVOHAWDLNLNURV-IPJUCJBFSA-N 2 0 334.504 3.105 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)CC1CCCCC1 ZINC000646377480 461219961 /nfs/dbraw/zinc/21/99/61/461219961.db2.gz CLDPPCCCXZQNOA-XUVXKRRUSA-N 2 0 349.563 3.303 20 0 EGADRP CN(CCCC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000665743264 461241221 /nfs/dbraw/zinc/24/12/21/461241221.db2.gz BGRZXTICQSEZSN-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP O=C(c1cccc2c1C[NH2+]C2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000662444664 461245313 /nfs/dbraw/zinc/24/53/13/461245313.db2.gz KPFUEKJMPWLQED-QGZVFWFLSA-N 2 0 341.499 3.018 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccc2c1C[NH2+]C2)c1ccccc1 ZINC000662444900 461246438 /nfs/dbraw/zinc/24/64/38/461246438.db2.gz MXWIHOJHTOYVGD-OAHLLOKOSA-N 2 0 337.467 3.149 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000662459296 461252279 /nfs/dbraw/zinc/25/22/79/461252279.db2.gz FXRNYUOMESGRNZ-OTWHNJEPSA-N 2 0 337.552 3.111 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000662507809 461275418 /nfs/dbraw/zinc/27/54/18/461275418.db2.gz RWUDQQYJWGCMNV-IBGZPJMESA-N 2 0 337.552 3.112 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633802776 461279540 /nfs/dbraw/zinc/27/95/40/461279540.db2.gz JVZFNJZSHDUUFG-LMMKCTJWSA-N 2 0 345.531 3.037 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)CC1CCCCC1 ZINC000662588214 461307311 /nfs/dbraw/zinc/30/73/11/461307311.db2.gz RYCGEDSDABNHOD-UXHICEINSA-N 2 0 349.563 3.303 20 0 EGADRP CN(C)[C@H](C(=O)N(C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000641660712 461307975 /nfs/dbraw/zinc/30/79/75/461307975.db2.gz AGOFTFSWTMQCPO-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP c1ccc([C@@H]2CO[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000668581080 461341006 /nfs/dbraw/zinc/34/10/06/461341006.db2.gz VAJFEPVDOKOUTA-RXVVDRJESA-N 2 0 337.467 3.213 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCSc2ccc(F)cc2)CC1 ZINC000638294248 461353439 /nfs/dbraw/zinc/35/34/39/461353439.db2.gz NDXYXXAMPVMOLF-UHFFFAOYSA-N 2 0 340.508 3.133 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000641775083 461365553 /nfs/dbraw/zinc/36/55/53/461365553.db2.gz KFKFISWNOBAMQI-RXVVDRJESA-N 2 0 329.532 3.391 20 0 EGADRP [NH3+]Cc1cc(NC(=O)c2cccc3c2CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000662773377 461366978 /nfs/dbraw/zinc/36/69/78/461366978.db2.gz HSDHJOWPAIBYKI-UHFFFAOYSA-N 2 0 349.356 3.062 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(OC(F)F)cc1 ZINC000638327005 461368654 /nfs/dbraw/zinc/36/86/54/461368654.db2.gz BNQAGKAYHDMZGU-CYBMUJFWSA-N 2 0 342.430 3.174 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000655736936 461403958 /nfs/dbraw/zinc/40/39/58/461403958.db2.gz LDDCRWKBNSRYQY-IBGZPJMESA-N 2 0 339.483 3.416 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638484514 461450212 /nfs/dbraw/zinc/45/02/12/461450212.db2.gz YNRSQLHMJMFMFC-MSOLQXFVSA-N 2 0 338.536 3.203 20 0 EGADRP CCOC1CC[NH+](CC2(C[NH+]3CCC(OCC)CC3)CCC2)CC1 ZINC000659851692 461455392 /nfs/dbraw/zinc/45/53/92/461455392.db2.gz JLMSZIDYEYGMSF-UHFFFAOYSA-N 2 0 338.536 3.159 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849026 461495247 /nfs/dbraw/zinc/49/52/47/461495247.db2.gz OQZBUSVAKSYBAT-WMQCIHAUSA-N 2 0 345.531 3.295 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000631042608 461496861 /nfs/dbraw/zinc/49/68/61/461496861.db2.gz KBLOYWGXSVCRSB-CALCHBBNSA-N 2 0 331.504 3.493 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000653107953 461504754 /nfs/dbraw/zinc/50/47/54/461504754.db2.gz DAYCUNQUWZEWJA-GOSISDBHSA-N 2 0 329.488 3.247 20 0 EGADRP CC(C)c1ccccc1OCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638638739 461513897 /nfs/dbraw/zinc/51/38/97/461513897.db2.gz JIUYPDHXHXQDJK-UHFFFAOYSA-N 2 0 334.504 3.014 20 0 EGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000659959001 461517145 /nfs/dbraw/zinc/51/71/45/461517145.db2.gz BPCXGFATHHJQNX-QAPCUYQASA-N 2 0 347.528 3.296 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201005 461554713 /nfs/dbraw/zinc/55/47/13/461554713.db2.gz WVQBUCQXOKILIE-YLJYHZDGSA-N 2 0 345.531 3.483 20 0 EGADRP CC[N@H+](CCCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000653200511 461555025 /nfs/dbraw/zinc/55/50/25/461555025.db2.gz GYYQVHZXLUEECQ-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663343938 461570342 /nfs/dbraw/zinc/57/03/42/461570342.db2.gz KGZUINRRCZTUQD-QGZVFWFLSA-N 2 0 342.487 3.200 20 0 EGADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000638775664 461571823 /nfs/dbraw/zinc/57/18/23/461571823.db2.gz HRILBGYVIYEDJU-TXQGORRRSA-N 2 0 335.536 3.066 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000631124270 461572324 /nfs/dbraw/zinc/57/23/24/461572324.db2.gz UFYMYKLEHCSJTM-HXUWFJFHSA-N 2 0 337.467 3.257 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2cc1OCC ZINC000643034044 461594205 /nfs/dbraw/zinc/59/42/05/461594205.db2.gz TUWQYIKQCSPMFW-YOEHRIQHSA-N 2 0 341.455 3.220 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]CC1CCSCC1 ZINC000638831916 461605840 /nfs/dbraw/zinc/60/58/40/461605840.db2.gz NSEOSNHMLXTQSK-UHFFFAOYSA-N 2 0 348.556 3.437 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1O ZINC000631196388 461636786 /nfs/dbraw/zinc/63/67/86/461636786.db2.gz QUNXWEXAXFSWRO-VQIMIIECSA-N 2 0 340.467 3.259 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000666454271 461637153 /nfs/dbraw/zinc/63/71/53/461637153.db2.gz QXRYTOFRIKXQOP-KRWDZBQOSA-N 2 0 332.488 3.208 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000656193825 461641300 /nfs/dbraw/zinc/64/13/00/461641300.db2.gz UXQIQMANISOJJL-YRGRVCCFSA-N 2 0 325.250 3.132 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000656195734 461642931 /nfs/dbraw/zinc/64/29/31/461642931.db2.gz FJTXRIAXCFDLKA-QLFBSQMISA-N 2 0 327.394 3.144 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663465389 461654756 /nfs/dbraw/zinc/65/47/56/461654756.db2.gz JQQHWEZZCOHUEJ-VQIMIIECSA-N 2 0 344.499 3.403 20 0 EGADRP C[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669421141 461670401 /nfs/dbraw/zinc/67/04/01/461670401.db2.gz QXKKNUDVLBBUPO-HRCADAONSA-N 2 0 342.512 3.499 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)[C@H]1OC ZINC000639047624 461689146 /nfs/dbraw/zinc/68/91/46/461689146.db2.gz MAPBKMPIYVKAJS-RSRIQPTJSA-N 2 0 344.499 3.137 20 0 EGADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CC[C@H](C[NH3+])c4ccccc43)cc21 ZINC000639063852 461701398 /nfs/dbraw/zinc/70/13/98/461701398.db2.gz IQQMAHMHPCKUPR-ZWKOTPCHSA-N 2 0 349.478 3.158 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@@H]1CC[NH2+]C1 ZINC000643458585 461734544 /nfs/dbraw/zinc/73/45/44/461734544.db2.gz IAODRMFXDQGCSO-RNWYCLNJSA-N 2 0 332.332 3.484 20 0 EGADRP C[C@H]([NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CC[NH2+]C1 ZINC000643458586 461735107 /nfs/dbraw/zinc/73/51/07/461735107.db2.gz IAODRMFXDQGCSO-UKKRHICBSA-N 2 0 332.332 3.484 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469390 461738432 /nfs/dbraw/zinc/73/84/32/461738432.db2.gz QUHGLPPTRGWMMM-ZBFHGGJFSA-N 2 0 325.294 3.489 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469388 461738755 /nfs/dbraw/zinc/73/87/55/461738755.db2.gz QUHGLPPTRGWMMM-GOEBONIOSA-N 2 0 325.294 3.489 20 0 EGADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643493769 461744993 /nfs/dbraw/zinc/74/49/93/461744993.db2.gz MELVSNGMLZXBKP-NASSWSRMSA-N 2 0 346.515 3.011 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000643503674 461748607 /nfs/dbraw/zinc/74/86/07/461748607.db2.gz XOTTYQKBASRXGI-QLOJAFMTSA-N 2 0 325.456 3.234 20 0 EGADRP CCn1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC000647543345 461756060 /nfs/dbraw/zinc/75/60/60/461756060.db2.gz LOUYNGGRTDQLMV-DLBZAZTESA-N 2 0 326.488 3.268 20 0 EGADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543160 461757497 /nfs/dbraw/zinc/75/74/97/461757497.db2.gz IIPIQZFNMXVJAJ-WOJBJXKFSA-N 2 0 338.499 3.143 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)c1OC ZINC000643548428 461760578 /nfs/dbraw/zinc/76/05/78/461760578.db2.gz PIJRCOBEVSSGDF-RHSMWYFYSA-N 2 0 332.488 3.208 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)c1OC ZINC000643548429 461761405 /nfs/dbraw/zinc/76/14/05/461761405.db2.gz PIJRCOBEVSSGDF-WMLDXEAASA-N 2 0 332.488 3.208 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647548686 461761721 /nfs/dbraw/zinc/76/17/21/461761721.db2.gz OWZUJZAPFPZLCI-DTZQCDIJSA-N 2 0 337.305 3.358 20 0 EGADRP COc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000656537506 461777807 /nfs/dbraw/zinc/77/78/07/461777807.db2.gz BVKGCDFEMMSJFI-IBGZPJMESA-N 2 0 337.467 3.206 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccccc3OCCCCO)C2)CC1 ZINC000639178176 461786162 /nfs/dbraw/zinc/78/61/62/461786162.db2.gz ZVZUXZOUDNIYMX-IBGZPJMESA-N 2 0 346.515 3.002 20 0 EGADRP C[NH+](C)CCOc1ccc(CNCC[NH2+]C2CCCCCC2)cc1 ZINC000666747990 461788578 /nfs/dbraw/zinc/78/85/78/461788578.db2.gz GCVCPYGUPOIPNL-UHFFFAOYSA-N 2 0 333.520 3.029 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000647786634 461834596 /nfs/dbraw/zinc/83/45/96/461834596.db2.gz UQNHXXCPXACQGD-BHDDXSALSA-N 3 0 341.543 3.396 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000647789132 461835618 /nfs/dbraw/zinc/83/56/18/461835618.db2.gz ZDKPRZKVIXWXLC-ANTGDGSKSA-N 2 0 345.531 3.056 20 0 EGADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)ccc1Cl ZINC000647794330 461837859 /nfs/dbraw/zinc/83/78/59/461837859.db2.gz YGHQANFTFASHTR-XQLPTFJDSA-N 2 0 337.870 3.036 20 0 EGADRP Cc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000647881228 461868341 /nfs/dbraw/zinc/86/83/41/461868341.db2.gz WRPXJYSPQYQCNF-AWEZNQCLSA-N 2 0 330.394 3.286 20 0 EGADRP COCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879571 461868369 /nfs/dbraw/zinc/86/83/69/461868369.db2.gz RJQQGJAIRRDAFK-KBPBESRZSA-N 2 0 330.394 3.324 20 0 EGADRP Clc1ccc(O[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647891536 461872357 /nfs/dbraw/zinc/87/23/57/461872357.db2.gz NIUZHZYREOAFSB-GXTWGEPZSA-N 2 0 329.271 3.446 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)o1 ZINC000650671232 461880589 /nfs/dbraw/zinc/88/05/89/461880589.db2.gz CAGMZGQMYMSSEQ-INIZCTEOSA-N 2 0 344.459 3.078 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cs2)cc1 ZINC000666954345 461886727 /nfs/dbraw/zinc/88/67/27/461886727.db2.gz UYJVFEPAGUQNPS-QGZVFWFLSA-N 2 0 343.496 3.262 20 0 EGADRP c1nc([C@H]2CCCO2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784562 461893541 /nfs/dbraw/zinc/89/35/41/461893541.db2.gz BXDCWDRGCNSZAE-NVXWUHKLSA-N 2 0 335.517 3.206 20 0 EGADRP [NH3+]CC1(CC[NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000650713227 461906524 /nfs/dbraw/zinc/90/65/24/461906524.db2.gz LDEQCBZAWVHCJD-UHFFFAOYSA-N 2 0 349.219 3.269 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718089 461909128 /nfs/dbraw/zinc/90/91/28/461909128.db2.gz XLJDNKRJABAMTN-KRWDZBQOSA-N 2 0 346.446 3.413 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647961636 461910064 /nfs/dbraw/zinc/91/00/64/461910064.db2.gz VNMHOBAPDVZUDJ-QGZVFWFLSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000660658653 461910553 /nfs/dbraw/zinc/91/05/53/461910553.db2.gz FZNWSJQFAMBFPS-SFHVURJKSA-N 2 0 335.879 3.086 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650721986 461913274 /nfs/dbraw/zinc/91/32/74/461913274.db2.gz HYKNLEZOXMTYOE-RLLQIKCJSA-N 2 0 332.488 3.335 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722270 461913650 /nfs/dbraw/zinc/91/36/50/461913650.db2.gz ONFCHNZSOKTERA-DFQSSKMNSA-N 2 0 332.488 3.336 20 0 EGADRP CC(C)(C)c1nc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722788 461913772 /nfs/dbraw/zinc/91/37/72/461913772.db2.gz BGOYDRAWLVJQQA-NUEKZKHPSA-N 2 0 337.533 3.301 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000650722178 461915065 /nfs/dbraw/zinc/91/50/65/461915065.db2.gz MUNZLJOGQLUINX-ZTFGCOKTSA-N 2 0 338.879 3.209 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000650723856 461916698 /nfs/dbraw/zinc/91/66/98/461916698.db2.gz VAYBZSGZAVZMEW-PVAVHDDUSA-N 2 0 340.414 3.149 20 0 EGADRP CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)c2O1 ZINC000650723668 461916918 /nfs/dbraw/zinc/91/69/18/461916918.db2.gz ROICSYKFLMOGGI-QRVBRYPASA-N 2 0 344.499 3.261 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000647976499 461918635 /nfs/dbraw/zinc/91/86/35/461918635.db2.gz POCYLLADVSFFJC-GBESFXJTSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976180 461919088 /nfs/dbraw/zinc/91/90/88/461919088.db2.gz LGJDQACPZHTQQK-OWCLPIDISA-N 2 0 349.906 3.379 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000667039614 461924216 /nfs/dbraw/zinc/92/42/16/461924216.db2.gz ZUPWQKWSPGWLMK-HOCLYGCPSA-N 2 0 338.455 3.250 20 0 EGADRP Cc1ccc(-c2nn(C)cc2CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000648034462 461951017 /nfs/dbraw/zinc/95/10/17/461951017.db2.gz VCWCYIXFQNPHBP-SJPCQFCGSA-N 2 0 328.460 3.046 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2ccccc2F)c1 ZINC000644527149 461971166 /nfs/dbraw/zinc/97/11/66/461971166.db2.gz PEEADUPPNKQPFW-UHFFFAOYSA-N 2 0 343.446 3.396 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[NH+]1CCCCC1 ZINC000657433682 462120735 /nfs/dbraw/zinc/12/07/35/462120735.db2.gz ZCFPZUBTAXVWHU-FXAWDEMLSA-N 2 0 332.488 3.208 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCC(OC4CCCC4)CC3)C2)CC1 ZINC000648450499 462124629 /nfs/dbraw/zinc/12/46/29/462124629.db2.gz PDCIRCRBAYPLHZ-WBTXTPOCSA-N 2 0 349.563 3.015 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000657563440 462181737 /nfs/dbraw/zinc/18/17/37/462181737.db2.gz ODQUCMIKTNAKDI-FQEVSTJZSA-N 2 0 347.522 3.295 20 0 EGADRP CC1([NH+]2CCCC2)CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639983394 462205135 /nfs/dbraw/zinc/20/51/35/462205135.db2.gz GOZHFCBMDZEKOO-HXUWFJFHSA-N 2 0 327.516 3.211 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000667706803 462224531 /nfs/dbraw/zinc/22/45/31/462224531.db2.gz ITCSEZZERRUEOK-HMXCVIKNSA-N 2 0 346.515 3.467 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000667729788 462234932 /nfs/dbraw/zinc/23/49/32/462234932.db2.gz VSACUDBIOLSCFK-SFHVURJKSA-N 2 0 344.503 3.265 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000667732315 462236959 /nfs/dbraw/zinc/23/69/59/462236959.db2.gz GHXAYFBZPWDQNX-LJQANCHMSA-N 2 0 338.455 3.104 20 0 EGADRP C[NH+](C)C[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccc(Cl)cc1 ZINC000667733702 462238836 /nfs/dbraw/zinc/23/88/36/462238836.db2.gz MYNLEHPLJDLMNQ-QGZVFWFLSA-N 2 0 346.862 3.223 20 0 EGADRP Cc1ncsc1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648722546 462246401 /nfs/dbraw/zinc/24/64/01/462246401.db2.gz GONMDUAJOOVXLS-UHFFFAOYSA-N 2 0 345.512 3.258 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000657812185 462279650 /nfs/dbraw/zinc/27/96/50/462279650.db2.gz NSFCOVDCGDVAMC-UHFFFAOYSA-N 2 0 328.460 3.190 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657831991 462288544 /nfs/dbraw/zinc/28/85/44/462288544.db2.gz HQTWGMQRTLLXSM-SFHVURJKSA-N 2 0 337.939 3.277 20 0 EGADRP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000667853919 462295439 /nfs/dbraw/zinc/29/54/39/462295439.db2.gz SVMUHJTYIRRYPR-QUCCMNQESA-N 2 0 348.531 3.353 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000657868660 462302598 /nfs/dbraw/zinc/30/25/98/462302598.db2.gz CMXXAEUOFKDOIV-QFBILLFUSA-N 2 0 337.939 3.134 20 0 EGADRP COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648856782 462307259 /nfs/dbraw/zinc/30/72/59/462307259.db2.gz JDQXCSSFSCRVNZ-IBGZPJMESA-N 2 0 332.488 3.162 20 0 EGADRP CC(C)(CN1CCCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648868962 462312029 /nfs/dbraw/zinc/31/20/29/462312029.db2.gz VWCOZEUXVFTVQS-UHFFFAOYSA-N 2 0 345.531 3.125 20 0 EGADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000651757860 462327182 /nfs/dbraw/zinc/32/71/82/462327182.db2.gz FVALUICCSFHFJV-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000651810332 462344144 /nfs/dbraw/zinc/34/41/44/462344144.db2.gz SXIPTLRWMVOENP-HNNXBMFYSA-N 2 0 336.451 3.007 20 0 EGADRP Clc1cc(Cl)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665229374 462360218 /nfs/dbraw/zinc/36/02/18/462360218.db2.gz WYSCKCKKDNCWJO-HRCADAONSA-N 2 0 329.271 3.240 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240524 462364425 /nfs/dbraw/zinc/36/44/25/462364425.db2.gz MXHBITGVBOKXPR-RXVVDRJESA-N 3 0 344.547 3.194 20 0 EGADRP [NH3+][C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000665253435 462370525 /nfs/dbraw/zinc/37/05/25/462370525.db2.gz QQXNTVAUPLESNC-HOLAOCEGSA-N 2 0 343.421 3.145 20 0 EGADRP [NH3+][C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000665258535 462372783 /nfs/dbraw/zinc/37/27/83/462372783.db2.gz CRVJLZQUSXLOIN-XWPNQZOQSA-N 2 0 325.431 3.006 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658091090 462379513 /nfs/dbraw/zinc/37/95/13/462379513.db2.gz KXSPKZHNVCTROC-YSIASYRMSA-N 2 0 329.532 3.359 20 0 EGADRP c1ccc([C@H]2C[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CCN2)cc1 ZINC000665299445 462390201 /nfs/dbraw/zinc/39/02/01/462390201.db2.gz NDQZAHXDDBJEOX-NHCUHLMSSA-N 2 0 327.516 3.191 20 0 EGADRP CCCCc1nc2cc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)ccc2[nH]1 ZINC000649297602 462470892 /nfs/dbraw/zinc/47/08/92/462470892.db2.gz GMFBDGKVMBGRFU-LBPRGKRZSA-N 2 0 336.386 3.089 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000658353511 462487803 /nfs/dbraw/zinc/48/78/03/462487803.db2.gz NMRWCKQLUSAJEX-MRXNPFEDSA-N 2 0 339.487 3.040 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000646105825 462518428 /nfs/dbraw/zinc/51/84/28/462518428.db2.gz JDXBTNKOPNFHGF-IBGZPJMESA-N 2 0 343.515 3.019 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000181875592 527719022 /nfs/dbraw/zinc/71/90/22/527719022.db2.gz HXUGDXXXLMWIED-ZBFHGGJFSA-N 2 0 334.460 3.449 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184243492 527722196 /nfs/dbraw/zinc/72/21/96/527722196.db2.gz XBJAGUNUFDPJAM-UHFFFAOYSA-N 2 0 337.552 3.160 20 0 EGADRP CCCc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000187114595 528636068 /nfs/dbraw/zinc/63/60/68/528636068.db2.gz TZTZLBSCTZGQHG-UHFFFAOYSA-N 2 0 338.499 3.076 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000191265339 529147010 /nfs/dbraw/zinc/14/70/10/529147010.db2.gz DPBJCUVHHBJVEH-KBPBESRZSA-N 2 0 329.941 3.326 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1ccccc1 ZINC000346629421 535595172 /nfs/dbraw/zinc/59/51/72/535595172.db2.gz VVYHMDHZHHTGFX-ICSRJNTNSA-N 2 0 345.531 3.055 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000236824547 535653758 /nfs/dbraw/zinc/65/37/58/535653758.db2.gz GMZKCICUWVKKND-MSOLQXFVSA-N 2 0 345.512 3.337 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000364267545 535654492 /nfs/dbraw/zinc/65/44/92/535654492.db2.gz ZNSJWCRZLCXLDL-RDJZCZTQSA-N 2 0 337.533 3.027 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)CCSc3ccccc3)C2)CC1 ZINC000246760749 535736347 /nfs/dbraw/zinc/73/63/47/535736347.db2.gz YCPWHHAPVYXAEE-RTBURBONSA-N 2 0 347.572 3.269 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000363786148 535808963 /nfs/dbraw/zinc/80/89/63/535808963.db2.gz QBAUVZMENPGTPI-HNAYVOBHSA-N 2 0 337.458 3.174 20 0 EGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000361582542 535891021 /nfs/dbraw/zinc/89/10/21/535891021.db2.gz JQXSGXCBRXOPFV-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000265039643 535944003 /nfs/dbraw/zinc/94/40/03/535944003.db2.gz MVHFYQNHUBLCMX-LBPRGKRZSA-N 2 0 344.286 3.206 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000351419840 536353239 /nfs/dbraw/zinc/35/32/39/536353239.db2.gz RGCSKBCCCNOPIU-UYAOXDASSA-N 2 0 343.515 3.003 20 0 EGADRP C[C@H]([NH2+]Cc1cc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000041069268 546539273 /nfs/dbraw/zinc/53/92/73/546539273.db2.gz AMKIWGRJADYHLB-NSHDSACASA-N 2 0 329.257 3.408 20 0 EGADRP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH+](C)CC1 ZINC000089555987 546644592 /nfs/dbraw/zinc/64/45/92/546644592.db2.gz KLRRTMAJCGVYPG-ZDUSSCGKSA-N 2 0 348.878 3.252 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000119015902 546701248 /nfs/dbraw/zinc/70/12/48/546701248.db2.gz HWVNEASPWGVQAY-LBPRGKRZSA-N 2 0 328.403 3.117 20 0 EGADRP CCO[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000155467978 546903058 /nfs/dbraw/zinc/90/30/58/546903058.db2.gz BRFMZBBSICTWDE-FQEVSTJZSA-N 2 0 345.531 3.218 20 0 EGADRP C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000163151024 546970888 /nfs/dbraw/zinc/97/08/88/546970888.db2.gz HMCRGDIKWMBBNY-LLVKDONJSA-N 2 0 331.291 3.120 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000165346531 546984025 /nfs/dbraw/zinc/98/40/25/546984025.db2.gz AOFRAOUCEVJNCC-UHFFFAOYSA-N 2 0 333.495 3.254 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000179909747 547050742 /nfs/dbraw/zinc/05/07/42/547050742.db2.gz LUGLMLLQGAYEOI-PMACEKPBSA-N 2 0 343.559 3.455 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c(C)c2)CC1 ZINC000182566445 547081595 /nfs/dbraw/zinc/08/15/95/547081595.db2.gz ABNOPERELKBEIO-QZTJIDSGSA-N 2 0 330.520 3.032 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CC2 ZINC000280113142 547369859 /nfs/dbraw/zinc/36/98/59/547369859.db2.gz NSOQJXPXBKTCSI-CRAIPNDOSA-N 2 0 332.488 3.401 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000290224481 547410204 /nfs/dbraw/zinc/41/02/04/547410204.db2.gz IEPATENRNVYOCO-IBGZPJMESA-N 2 0 343.446 3.328 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000323826690 547471697 /nfs/dbraw/zinc/47/16/97/547471697.db2.gz GPJLWBHRPJFKKD-KRWDZBQOSA-N 2 0 329.532 3.242 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000324121076 547471771 /nfs/dbraw/zinc/47/17/71/547471771.db2.gz GSOXQQVVWGBPOL-HINLZNOGSA-N 2 0 333.564 3.207 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000673652012 548590537 /nfs/dbraw/zinc/59/05/37/548590537.db2.gz XKKRLAPXQLLFOS-VQTJNVASSA-N 2 0 345.531 3.135 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC000675481055 548927677 /nfs/dbraw/zinc/92/76/77/548927677.db2.gz MXIPTUJNFZRETA-FQEVSTJZSA-N 2 0 345.531 3.409 20 0 EGADRP Fc1ccc2c(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000675635333 548948061 /nfs/dbraw/zinc/94/80/61/548948061.db2.gz FCTVOHIVDARDRG-IEBWSBKVSA-N 2 0 329.419 3.429 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675743109 548972227 /nfs/dbraw/zinc/97/22/27/548972227.db2.gz ZPZKADZHMWUZBG-LJQANCHMSA-N 2 0 335.511 3.008 20 0 EGADRP C[C@@H](CC1CCC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000675832226 548992125 /nfs/dbraw/zinc/99/21/25/548992125.db2.gz JYNUWJXSHRPSPX-OXJNMPFZSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(s1)CCCC2 ZINC000675876771 548995342 /nfs/dbraw/zinc/99/53/42/548995342.db2.gz ZRVDOYAFPUVJIA-DOTOQJQBSA-N 2 0 347.572 3.446 20 0 EGADRP CCCc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000676876784 549170649 /nfs/dbraw/zinc/17/06/49/549170649.db2.gz HIDBYHALQKWWGK-GOSISDBHSA-N 2 0 339.483 3.488 20 0 EGADRP Cc1nccn1CC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000677981266 549368901 /nfs/dbraw/zinc/36/89/01/549368901.db2.gz ZRDWGWVMSDYGDV-QWRGUYRKSA-N 2 0 329.288 3.254 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000678284289 549458600 /nfs/dbraw/zinc/45/86/00/549458600.db2.gz ABWQLEFLRRVGME-PMACEKPBSA-N 2 0 344.499 3.020 20 0 EGADRP c1ccc2c(c1)ccnc2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000678282873 549458771 /nfs/dbraw/zinc/45/87/71/549458771.db2.gz NHWWCIFQRFOVCG-UHFFFAOYSA-N 2 0 339.483 3.312 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000678284297 549458961 /nfs/dbraw/zinc/45/89/61/549458961.db2.gz ABWQLEFLRRVGME-WOJBJXKFSA-N 2 0 344.499 3.020 20 0 EGADRP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000678589930 549526687 /nfs/dbraw/zinc/52/66/87/549526687.db2.gz PFKPKMIBUBRYDB-KRWDZBQOSA-N 2 0 343.515 3.181 20 0 EGADRP CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719033 549547404 /nfs/dbraw/zinc/54/74/04/549547404.db2.gz GKXDJFUMFQXKGI-NRFANRHFSA-N 2 0 329.532 3.410 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678770457 549557754 /nfs/dbraw/zinc/55/77/54/549557754.db2.gz GLFWKAJLIZLISD-BLIXFSHQSA-N 2 0 327.516 3.068 20 0 EGADRP CCCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000679750347 549771802 /nfs/dbraw/zinc/77/18/02/549771802.db2.gz BNYYWARJLZYNFA-QFIPXVFZSA-N 2 0 338.495 3.496 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000680050724 549811559 /nfs/dbraw/zinc/81/15/59/549811559.db2.gz FFXABAUINATJCM-QGZVFWFLSA-N 2 0 325.456 3.153 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000683342646 550220183 /nfs/dbraw/zinc/22/01/83/550220183.db2.gz WADFRHHXKMCVRV-UHFFFAOYSA-N 2 0 348.293 3.250 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000684025734 550282861 /nfs/dbraw/zinc/28/28/61/550282861.db2.gz RXKRJDXZUPJICI-UHFFFAOYSA-N 2 0 340.515 3.017 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCc2ccccc2F)cc1 ZINC000684426887 550329139 /nfs/dbraw/zinc/32/91/39/550329139.db2.gz VQPWSFABGCNJET-UHFFFAOYSA-N 2 0 330.447 3.489 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nccc2ccccc21 ZINC000685455911 550418520 /nfs/dbraw/zinc/41/85/20/550418520.db2.gz AVUVTCZLFNAUMS-IBGZPJMESA-N 2 0 340.515 3.083 20 0 EGADRP CCCN1Cc2cccc(NC(=S)NC[C@H]3CCC[N@@H+]3CC)c2C1 ZINC000727291700 574658278 /nfs/dbraw/zinc/65/82/78/574658278.db2.gz UIXAXGLEHXGKBW-MRXNPFEDSA-N 2 0 346.544 3.183 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000729348211 574845060 /nfs/dbraw/zinc/84/50/60/574845060.db2.gz PVJQDEAVNOJKBM-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383335804 576254127 /nfs/dbraw/zinc/25/41/27/576254127.db2.gz IOXBLZYHQGNBNB-VQIMIIECSA-N 2 0 326.488 3.291 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399093595 1297725424 /nfs/dbraw/zinc/72/54/24/1297725424.db2.gz UUBNZLZHSNNVFU-NVXWUHKLSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@H](N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693713386 1298150422 /nfs/dbraw/zinc/15/04/22/1298150422.db2.gz OBDBXGJOXBSQEA-OUJGAGHGSA-N 2 0 341.543 3.263 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000877969270 1299675901 /nfs/dbraw/zinc/67/59/01/1299675901.db2.gz ZSZZTLNAJWJJGK-LJQANCHMSA-N 2 0 338.536 3.016 20 0 EGADRP Brc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000063197412 1292002896 /nfs/dbraw/zinc/00/28/96/1292002896.db2.gz QGJPHYMBZPWXCD-CYBMUJFWSA-N 2 0 329.307 3.475 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000063917647 1292030830 /nfs/dbraw/zinc/03/08/30/1292030830.db2.gz YNVGUSZNPYKPHA-AWEZNQCLSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2csc(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000067452578 1292161234 /nfs/dbraw/zinc/16/12/34/1292161234.db2.gz NZWXDULWWAYJQT-HUUCEWRRSA-N 2 0 339.549 3.420 20 0 EGADRP CCc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000069171398 1292234048 /nfs/dbraw/zinc/23/40/48/1292234048.db2.gz MBRRLECRROHNGY-JOCHJYFZSA-N 2 0 337.511 3.327 20 0 EGADRP CN(C)[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000069672770 1292248106 /nfs/dbraw/zinc/24/81/06/1292248106.db2.gz DNNJPVXUURWASL-LJQANCHMSA-N 2 0 347.528 3.081 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000069711490 1292250021 /nfs/dbraw/zinc/25/00/21/1292250021.db2.gz HABNCYGACBYZLB-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3)c2)CC1 ZINC000076400280 1292428408 /nfs/dbraw/zinc/42/84/08/1292428408.db2.gz VWKWUUBAXYPOLX-UHFFFAOYSA-N 2 0 345.437 3.002 20 0 EGADRP CCc1nn(C)c(Cl)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000093688353 1292928233 /nfs/dbraw/zinc/92/82/33/1292928233.db2.gz HKTRAXXLNAZFMT-UHFFFAOYSA-N 2 0 326.916 3.190 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)c1 ZINC000105449487 1293036659 /nfs/dbraw/zinc/03/66/59/1293036659.db2.gz YNKHFVDWZIBIDL-UHFFFAOYSA-N 2 0 325.456 3.387 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C2CCC([NH3+])CC2)cc1 ZINC000832832507 1293049584 /nfs/dbraw/zinc/04/95/84/1293049584.db2.gz FCSAADYQZFNJQM-UHFFFAOYSA-N 2 0 331.504 3.260 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000108428029 1293080256 /nfs/dbraw/zinc/08/02/56/1293080256.db2.gz RDRWEEXHMLXRFH-SFHVURJKSA-N 2 0 334.467 3.457 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccco1 ZINC000834501520 1293106943 /nfs/dbraw/zinc/10/69/43/1293106943.db2.gz BVCYPRBGUJZBKC-ZGXWSNOMSA-N 2 0 340.467 3.346 20 0 EGADRP CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1)[C@H](C)O ZINC000834889445 1293164189 /nfs/dbraw/zinc/16/41/89/1293164189.db2.gz XRQXUHKTIHFRSC-GJYPPUQNSA-N 2 0 334.504 3.491 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000121237979 1293361708 /nfs/dbraw/zinc/36/17/08/1293361708.db2.gz OFDIINKCUJYILJ-ROUUACIJSA-N 2 0 333.520 3.010 20 0 EGADRP CSc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000126049286 1293523751 /nfs/dbraw/zinc/52/37/51/1293523751.db2.gz JEEUYJIKRPTFLF-UHFFFAOYSA-N 2 0 333.545 3.057 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000132952342 1293733495 /nfs/dbraw/zinc/73/34/95/1293733495.db2.gz VGLCBJSJBCKPJR-IAGOWNOFSA-N 2 0 332.488 3.237 20 0 EGADRP O[C@@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134889064 1293784160 /nfs/dbraw/zinc/78/41/60/1293784160.db2.gz JBFZYZFZVJUQSA-LZQZEXGQSA-N 2 0 334.891 3.322 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000154184139 1294044477 /nfs/dbraw/zinc/04/44/77/1294044477.db2.gz VYVMIYFIONMZOW-MOPGFXCFSA-N 2 0 334.504 3.409 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cn1 ZINC000155381720 1294094992 /nfs/dbraw/zinc/09/49/92/1294094992.db2.gz VGYULZKDGASYNK-QZTJIDSGSA-N 2 0 339.483 3.289 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000155878746 1294117892 /nfs/dbraw/zinc/11/78/92/1294117892.db2.gz DFNBSVWKSIXBHX-HNNXBMFYSA-N 2 0 346.906 3.004 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc2cnccn12 ZINC000156614232 1294151557 /nfs/dbraw/zinc/15/15/57/1294151557.db2.gz FFCMRBMZEZWHMB-KRWDZBQOSA-N 2 0 349.482 3.394 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160224994 1294262680 /nfs/dbraw/zinc/26/26/80/1294262680.db2.gz JQYPQHHKFNDRSR-IAGOWNOFSA-N 2 0 340.515 3.496 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000173348427 1294460109 /nfs/dbraw/zinc/46/01/09/1294460109.db2.gz LNSFRDQTOAZJST-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cccnc1=S ZINC000179915915 1294840744 /nfs/dbraw/zinc/84/07/44/1294840744.db2.gz JJZIXTAQDWBCMW-UHFFFAOYSA-N 2 0 343.500 3.204 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)ccc1OC ZINC000182963787 1295089516 /nfs/dbraw/zinc/08/95/16/1295089516.db2.gz LOUOADMXNXAPAZ-MNEFBYGVSA-N 2 0 334.504 3.491 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)ccc1OC ZINC000186796980 1295350852 /nfs/dbraw/zinc/35/08/52/1295350852.db2.gz LOUOADMXNXAPAZ-KFKAGJAMSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC000192954906 1295818533 /nfs/dbraw/zinc/81/85/33/1295818533.db2.gz HCQIIBFYOARDEO-HNNXBMFYSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870866036 1296121634 /nfs/dbraw/zinc/12/16/34/1296121634.db2.gz KAJBQIGJJDRDSG-KRWDZBQOSA-N 2 0 343.515 3.067 20 0 EGADRP [NH3+][C@H]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000870875998 1296125954 /nfs/dbraw/zinc/12/59/54/1296125954.db2.gz SRNTYBPMZXGIHL-MXVIHJGJSA-N 2 0 343.515 3.196 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000870957243 1296154788 /nfs/dbraw/zinc/15/47/88/1296154788.db2.gz BPQFBYFFSIIYEU-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261798418 1296603958 /nfs/dbraw/zinc/60/39/58/1296603958.db2.gz ZRTBANGWMFZKJH-XUVXKRRUSA-N 2 0 331.504 3.350 20 0 EGADRP C[C@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000262508622 1296637568 /nfs/dbraw/zinc/63/75/68/1296637568.db2.gz MTQPOQYPUXUQBW-NWDGAFQWSA-N 2 0 344.286 3.239 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CC(C)(C)Sc2ccccc21)N1CC[NH+](C)CC1 ZINC000872033731 1296682243 /nfs/dbraw/zinc/68/22/43/1296682243.db2.gz ITFGDGWVLPLLMT-RDJZCZTQSA-N 2 0 333.545 3.228 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCCC2 ZINC000872032804 1296682879 /nfs/dbraw/zinc/68/28/79/1296682879.db2.gz AHAFUYOBINYUKU-SFHVURJKSA-N 2 0 332.488 3.403 20 0 EGADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1)C1CCCC1 ZINC000872156596 1296776838 /nfs/dbraw/zinc/77/68/38/1296776838.db2.gz ACOUJQNKHBYYDX-HKUYNNGSSA-N 2 0 335.536 3.009 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000305768491 1297046713 /nfs/dbraw/zinc/04/67/13/1297046713.db2.gz KUWBPPBHHZTTQM-UHOFOFEASA-N 2 0 330.394 3.059 20 0 EGADRP [NH2+]=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)NC1CCCC1 ZINC000310426215 1297094728 /nfs/dbraw/zinc/09/47/28/1297094728.db2.gz RRVBBKRSFQRGJR-GOSISDBHSA-N 2 0 328.504 3.345 20 0 EGADRP C[C@]1(C[NH2+]C[C@H](O)c2ccccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000310925306 1297104329 /nfs/dbraw/zinc/10/43/29/1297104329.db2.gz RZPBVPNXXJZSMN-LEWJYISDSA-N 2 0 342.458 3.361 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000873240941 1297381882 /nfs/dbraw/zinc/38/18/82/1297381882.db2.gz BPOVZXOWXHRYKJ-WBVHZDCISA-N 2 0 329.488 3.242 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000873246556 1297387450 /nfs/dbraw/zinc/38/74/50/1297387450.db2.gz WTBGWUAFMIPGRB-WBVHZDCISA-N 2 0 329.488 3.242 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000873258127 1297393181 /nfs/dbraw/zinc/39/31/81/1297393181.db2.gz NAGUWKBNIQNLMM-OPRDCNLKSA-N 2 0 336.329 3.277 20 0 EGADRP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873260813 1297394057 /nfs/dbraw/zinc/39/40/57/1297394057.db2.gz IFGAQXQVTWLQLL-WOCWYEKDSA-N 2 0 332.463 3.414 20 0 EGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000873260662 1297394735 /nfs/dbraw/zinc/39/47/35/1297394735.db2.gz FKBBUBRBHUIXFO-FZMWSMFESA-N 2 0 332.488 3.316 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)nnn1-c1ccc(C)cc1 ZINC000873260005 1297394818 /nfs/dbraw/zinc/39/48/18/1297394818.db2.gz QPJVWVCXJDLPFA-NRSFXHEJSA-N 2 0 339.487 3.065 20 0 EGADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000873281904 1297409599 /nfs/dbraw/zinc/40/95/99/1297409599.db2.gz QNCFKQIRCQNXIT-JKIFEVAISA-N 2 0 349.316 3.458 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291855 1297414078 /nfs/dbraw/zinc/41/40/78/1297414078.db2.gz YOMDCDSUYMFLIZ-DZGCQCFKSA-N 2 0 338.879 3.158 20 0 EGADRP CC[NH+]1CCC(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000382820502 1297564098 /nfs/dbraw/zinc/56/40/98/1297564098.db2.gz UEJSFMAHUIDQNE-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP OCc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc[nH+]1 ZINC000385282444 1297582061 /nfs/dbraw/zinc/58/20/61/1297582061.db2.gz LKKRXEZGTUAGBW-UHFFFAOYSA-N 2 0 337.467 3.066 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386403601 1297590204 /nfs/dbraw/zinc/59/02/04/1297590204.db2.gz HMAAXGBXNUKBBG-BZUAXINKSA-N 2 0 327.513 3.094 20 0 EGADRP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000393925762 1297673510 /nfs/dbraw/zinc/67/35/10/1297673510.db2.gz BIYKDTKSRAATLT-BACDZXNISA-N 2 0 337.508 3.039 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399077362 1297723424 /nfs/dbraw/zinc/72/34/24/1297723424.db2.gz OKOAPFZUKYHZOT-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000498212440 1297954051 /nfs/dbraw/zinc/95/40/51/1297954051.db2.gz OXPULMUAOQFHSG-IEBWSBKVSA-N 2 0 335.536 3.199 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000693029465 1298147084 /nfs/dbraw/zinc/14/70/84/1298147084.db2.gz AAWNIIDUKTURCJ-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000708557545 1298243903 /nfs/dbraw/zinc/24/39/03/1298243903.db2.gz XPBDORMWLGOKDM-AEFFLSMTSA-N 2 0 334.467 3.421 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000715201497 1298278430 /nfs/dbraw/zinc/27/84/30/1298278430.db2.gz LLZSWTSRZYPMEE-YYIAUSFCSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000715216963 1298278807 /nfs/dbraw/zinc/27/88/07/1298278807.db2.gz CXMDCSYFRPZEOZ-GPANFISMSA-N 2 0 339.524 3.237 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000715560097 1298280059 /nfs/dbraw/zinc/28/00/59/1298280059.db2.gz WSDMBBFUQFUBEP-QDIHITRGSA-N 2 0 339.524 3.141 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876941560 1299076885 /nfs/dbraw/zinc/07/68/85/1299076885.db2.gz NSRRNDFBAGWMKH-IELZWVCUSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877154477 1299185274 /nfs/dbraw/zinc/18/52/74/1299185274.db2.gz RCAHQSQCYGPSOX-YFVAEKQCSA-N 2 0 327.516 3.428 20 0 EGADRP CC1([NH+]2CCCCC2)CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000877301643 1299241045 /nfs/dbraw/zinc/24/10/45/1299241045.db2.gz YMUVTKMBKMCGKP-LPOKXYRGSA-N 2 0 347.547 3.007 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000877447228 1299307010 /nfs/dbraw/zinc/30/70/10/1299307010.db2.gz BJYBZJSNUGZAIQ-JYBIWHBTSA-N 2 0 349.563 3.158 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877524641 1299368104 /nfs/dbraw/zinc/36/81/04/1299368104.db2.gz AAGWROYKLYFXRA-MRXNPFEDSA-N 2 0 339.524 3.001 20 0 EGADRP CCOc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)ccc1OC ZINC000877684884 1299477917 /nfs/dbraw/zinc/47/79/17/1299477917.db2.gz BSSGQXHHWULAIM-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP C[N@@H+]1CC[C@H]2CN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568887 1300606121 /nfs/dbraw/zinc/60/61/21/1300606121.db2.gz FICZXNNFGCNVES-FPOVZHCZSA-N 2 0 349.478 3.465 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCOCC2)CCCO1 ZINC000762646600 1301720773 /nfs/dbraw/zinc/72/07/73/1301720773.db2.gz AMUDCMIRQGHVSP-NQIIRXRSSA-N 2 0 346.515 3.245 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCCC1 ZINC000765256039 1302230634 /nfs/dbraw/zinc/23/06/34/1302230634.db2.gz RSGFHMSJWYRQNM-ROUUACIJSA-N 2 0 333.520 3.152 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H]3CC[C@H](c4ccccc4)O3)CC2)C1 ZINC000883433221 1302442614 /nfs/dbraw/zinc/44/26/14/1302442614.db2.gz KXYKYKCVZICIMX-NCYKPQTJSA-N 2 0 344.499 3.125 20 0 EGADRP CC(C)[C@H](CC[N@H+](C)CC[C@@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000767413290 1302666371 /nfs/dbraw/zinc/66/63/71/1302666371.db2.gz ASIFTDUIYQPGNR-IRXDYDNUSA-N 2 0 341.540 3.342 20 0 EGADRP Cc1cnc(C[NH+](C)[C@H]2CC[C@H]([N@H+](C)Cc3ncc(C)o3)CC2)o1 ZINC000886387004 1303454280 /nfs/dbraw/zinc/45/42/80/1303454280.db2.gz OMNWAWXEDOBKCD-WKILWMFISA-N 2 0 332.448 3.154 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(=O)NCc1ccccc1 ZINC000886514797 1303483590 /nfs/dbraw/zinc/48/35/90/1303483590.db2.gz ZSLBDWBXKQSRPS-FQVISZRSSA-N 2 0 343.515 3.078 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCc3cccnc32)cc1 ZINC000886522968 1303485942 /nfs/dbraw/zinc/48/59/42/1303485942.db2.gz ULXWALKKJLUTCE-IBGZPJMESA-N 2 0 325.456 3.189 20 0 EGADRP Cn1ccnc1[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886621760 1303528867 /nfs/dbraw/zinc/52/88/67/1303528867.db2.gz AQZCKORLQHNFGK-NNVNDSJASA-N 2 0 346.519 3.027 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000773070466 1303618211 /nfs/dbraw/zinc/61/82/11/1303618211.db2.gz PXAYCDQXXAMBEB-YSSFQJQWSA-N 2 0 332.488 3.114 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)C1 ZINC000773139251 1303631918 /nfs/dbraw/zinc/63/19/18/1303631918.db2.gz MTJLEPFBCMPYGE-BRWVUGGUSA-N 2 0 326.575 3.363 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775375994 1303948760 /nfs/dbraw/zinc/94/87/60/1303948760.db2.gz QYQWGPPSPOWLGC-ALYAQQCSSA-N 2 0 328.591 3.324 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCN2CCC2)cc1C[NH+]1CCCCC1 ZINC000775415844 1303961979 /nfs/dbraw/zinc/96/19/79/1303961979.db2.gz OBUUWHVNVJFIRR-QGZVFWFLSA-N 2 0 331.504 3.037 20 0 EGADRP Cc1ncc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000775522537 1303978759 /nfs/dbraw/zinc/97/87/59/1303978759.db2.gz STGBBZCDJWRBID-MAUKXSAKSA-N 2 0 329.513 3.494 20 0 EGADRP CC[NH+](CC)CCOc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000777656802 1304331170 /nfs/dbraw/zinc/33/11/70/1304331170.db2.gz LHKKGAZLGDHFCO-SJLPKXTDSA-N 2 0 349.519 3.310 20 0 EGADRP C[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC[N@@H+]1C ZINC000777675982 1304333834 /nfs/dbraw/zinc/33/38/34/1304333834.db2.gz RIWRTEOZBXQORA-WBVHZDCISA-N 2 0 348.510 3.251 20 0 EGADRP c1ccc2c(c1)-c1ccccc1C2[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000780914401 1304751704 /nfs/dbraw/zinc/75/17/04/1304751704.db2.gz IWIFJVPEFDXMSS-UHFFFAOYSA-N 2 0 347.506 3.470 20 0 EGADRP C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)C1CC[NH+](C)CC1 ZINC000781918391 1304891124 /nfs/dbraw/zinc/89/11/24/1304891124.db2.gz PSICJNLGGLDAIB-QGZVFWFLSA-N 2 0 332.488 3.220 20 0 EGADRP C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000892565047 1305442739 /nfs/dbraw/zinc/44/27/39/1305442739.db2.gz DHETYYIMHGJSPO-OAHLLOKOSA-N 2 0 344.459 3.086 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000892570065 1305445894 /nfs/dbraw/zinc/44/58/94/1305445894.db2.gz HJFNJEORFXDQFJ-ROUUACIJSA-N 2 0 334.504 3.202 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(O)cc(Cl)c2)c1 ZINC000892611621 1305469344 /nfs/dbraw/zinc/46/93/44/1305469344.db2.gz YEEXDPLCFAAVMQ-UHFFFAOYSA-N 2 0 334.847 3.276 20 0 EGADRP CC(=O)OC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000892905191 1305598581 /nfs/dbraw/zinc/59/85/81/1305598581.db2.gz JGHPXEVIQMYWTG-CQSZACIVSA-N 2 0 338.879 3.093 20 0 EGADRP CCCSC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000893487858 1305921491 /nfs/dbraw/zinc/92/14/91/1305921491.db2.gz QCOPRRDMKAVNCF-APWZRJJASA-N 2 0 336.545 3.265 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000788467949 1305950144 /nfs/dbraw/zinc/95/01/44/1305950144.db2.gz BRUQRDFVQDWBQM-UHFFFAOYSA-N 2 0 341.421 3.169 20 0 EGADRP Cc1nn(C)c(C[NH2+]CCCCCCC[NH+](C)C)c1Br ZINC000790468896 1306332444 /nfs/dbraw/zinc/33/24/44/1306332444.db2.gz CIOGUCKZPWDRHN-UHFFFAOYSA-N 2 0 345.329 3.093 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N2CCCCC2=O)cc1 ZINC000894557598 1308952218 /nfs/dbraw/zinc/95/22/18/1308952218.db2.gz GSYSSHFHEYKYGJ-XIHRNRATSA-N 2 0 341.499 3.479 20 0 EGADRP O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC000793150569 1309304138 /nfs/dbraw/zinc/30/41/38/1309304138.db2.gz YHSRHXJDZLOFNI-GOSISDBHSA-N 2 0 349.434 3.403 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000793530137 1309396093 /nfs/dbraw/zinc/39/60/93/1309396093.db2.gz DJZUWADLOYYJDH-RTBURBONSA-N 2 0 346.515 3.057 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000793530127 1309396692 /nfs/dbraw/zinc/39/66/92/1309396692.db2.gz DJZUWADLOYYJDH-OALUTQOASA-N 2 0 346.515 3.057 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)n(C)n1 ZINC000793563931 1309405043 /nfs/dbraw/zinc/40/50/43/1309405043.db2.gz AEZSNNSDSJISAM-INIZCTEOSA-N 2 0 342.487 3.052 20 0 EGADRP Cc1cc([C@H](C)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565359 1309405071 /nfs/dbraw/zinc/40/50/71/1309405071.db2.gz KBJDWMZYYDAVOY-PXNSSMCTSA-N 2 0 326.488 3.291 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)n(C)n1 ZINC000793563934 1309405501 /nfs/dbraw/zinc/40/55/01/1309405501.db2.gz AEZSNNSDSJISAM-MRXNPFEDSA-N 2 0 342.487 3.052 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000796653642 1310057807 /nfs/dbraw/zinc/05/78/07/1310057807.db2.gz PFCUWGKYHQYQPF-NCOADZHNSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000796653650 1310058586 /nfs/dbraw/zinc/05/85/86/1310058586.db2.gz PFCUWGKYHQYQPF-WCXIOVBPSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)(C[NH2+]C1CCN(CCC(F)(F)F)CC1)C1CCOCC1 ZINC000897451851 1310341274 /nfs/dbraw/zinc/34/12/74/1310341274.db2.gz RENJQSLQVOLNTP-UHFFFAOYSA-N 2 0 336.442 3.446 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000839183091 1320889099 /nfs/dbraw/zinc/88/90/99/1320889099.db2.gz SXEJUSDEDFJKGR-BZUAXINKSA-N 2 0 346.462 3.065 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000839183090 1320889146 /nfs/dbraw/zinc/88/91/46/1320889146.db2.gz SXEJUSDEDFJKGR-ARFHVFGLSA-N 2 0 346.462 3.065 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001018967472 1316988017 /nfs/dbraw/zinc/98/80/17/1316988017.db2.gz DYQQGWIYXMHGJW-AZUAARDMSA-N 2 0 345.531 3.084 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018991086 1316995840 /nfs/dbraw/zinc/99/58/40/1316995840.db2.gz XOKGBXOOCCIEHP-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001018999091 1316998616 /nfs/dbraw/zinc/99/86/16/1316998616.db2.gz GEHCZBSFXPJMHZ-OTWHNJEPSA-N 2 0 349.494 3.054 20 0 EGADRP O=C(N1CC[C@H]([NH2+]CCC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001019030581 1317014377 /nfs/dbraw/zinc/01/43/77/1317014377.db2.gz MXTSGBDGTFCBSN-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)CC)C1 ZINC000957113863 1317194814 /nfs/dbraw/zinc/19/48/14/1317194814.db2.gz ULCUVSAQCDJJJJ-MJGOQNOKSA-N 2 0 337.552 3.220 20 0 EGADRP CCOCCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000929772826 1328695679 /nfs/dbraw/zinc/69/56/79/1328695679.db2.gz NYNOCLXNMJBXJE-OAQYLSRUSA-N 2 0 346.515 3.028 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764082 1317421112 /nfs/dbraw/zinc/42/11/12/1317421112.db2.gz VJZSGHGVZFMYAF-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000806172737 1317468979 /nfs/dbraw/zinc/46/89/79/1317468979.db2.gz SMQJJUBTHIEGDT-UHOFOFEASA-N 2 0 330.394 3.059 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000806172738 1317469105 /nfs/dbraw/zinc/46/91/05/1317469105.db2.gz SMQJJUBTHIEGDT-VBNZEHGJSA-N 2 0 330.394 3.059 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593227 1317484253 /nfs/dbraw/zinc/48/42/53/1317484253.db2.gz ORIUQZAUILECKK-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC000957617502 1317498896 /nfs/dbraw/zinc/49/88/96/1317498896.db2.gz OAVUFRLOUFJJOM-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001020029176 1317507966 /nfs/dbraw/zinc/50/79/66/1317507966.db2.gz XARNKPGMIKZGGV-KNTRFNDTSA-N 2 0 343.515 3.202 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647949 1317520033 /nfs/dbraw/zinc/52/00/33/1317520033.db2.gz XRZSHVPYDMZFSC-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000902334595 1317564279 /nfs/dbraw/zinc/56/42/79/1317564279.db2.gz RBICMVANJBCLDZ-KSSFIOAISA-N 2 0 329.488 3.464 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001020151015 1317565045 /nfs/dbraw/zinc/56/50/45/1317565045.db2.gz HSKFJPXMEQBNMV-UAFMIMERSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000902439934 1317578702 /nfs/dbraw/zinc/57/87/02/1317578702.db2.gz VIUXBZNUTAUCLX-DGEVVOEJSA-N 2 0 335.495 3.111 20 0 EGADRP C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000902439937 1317578893 /nfs/dbraw/zinc/57/88/93/1317578893.db2.gz VIUXBZNUTAUCLX-ZHODDXKCSA-N 2 0 335.495 3.111 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCCCC[NH2+]2)C3)cc1 ZINC000902482749 1317582514 /nfs/dbraw/zinc/58/25/14/1317582514.db2.gz NKAYWTYCEUSEIE-BURNTYAHSA-N 2 0 327.516 3.304 20 0 EGADRP COc1ccc([C@H](NCCc2cccnc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000902513815 1317584644 /nfs/dbraw/zinc/58/46/44/1317584644.db2.gz OOERGNFXMFFIJR-PMACEKPBSA-N 2 0 325.456 3.024 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000902527238 1317587697 /nfs/dbraw/zinc/58/76/97/1317587697.db2.gz HDQXVZKUEKODOO-JENIJYKNSA-N 2 0 331.504 3.207 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1)C(C)C ZINC000957728736 1317594368 /nfs/dbraw/zinc/59/43/68/1317594368.db2.gz WKAKGAIWZRQHOH-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000957737725 1317601828 /nfs/dbraw/zinc/60/18/28/1317601828.db2.gz WRGAVXMGBKCQIT-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000957770510 1317634332 /nfs/dbraw/zinc/63/43/32/1317634332.db2.gz QLHBYLMEFGQGLB-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903099455 1317653705 /nfs/dbraw/zinc/65/37/05/1317653705.db2.gz IDOLQPOVZLKVMP-NXCDMZCRSA-N 2 0 349.519 3.037 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903104913 1317654986 /nfs/dbraw/zinc/65/49/86/1317654986.db2.gz YTZZGLZWNZKTAK-OAHLLOKOSA-N 2 0 339.524 3.144 20 0 EGADRP COc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)OC)c1 ZINC000903206216 1317675442 /nfs/dbraw/zinc/67/54/42/1317675442.db2.gz PJWSDPLTPYYVSC-WQHGSSGSSA-N 2 0 330.472 3.130 20 0 EGADRP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CCC2)cc1 ZINC000903733111 1317726697 /nfs/dbraw/zinc/72/66/97/1317726697.db2.gz JVWJQFWIHOELTP-OALUTQOASA-N 2 0 332.463 3.415 20 0 EGADRP Fc1ccc([C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CCC2)cc1 ZINC000903733112 1317727197 /nfs/dbraw/zinc/72/71/97/1317727197.db2.gz JVWJQFWIHOELTP-RBUKOAKNSA-N 2 0 332.463 3.415 20 0 EGADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903740901 1317728881 /nfs/dbraw/zinc/72/88/81/1317728881.db2.gz ZYDULCNVFSAFGD-UXHICEINSA-N 2 0 343.515 3.048 20 0 EGADRP C[C@@]1(Cc2cccs2)CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789219 1317734110 /nfs/dbraw/zinc/73/41/10/1317734110.db2.gz UWFKJCSLSMMODX-AEFFLSMTSA-N 2 0 334.529 3.304 20 0 EGADRP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903909584 1317746537 /nfs/dbraw/zinc/74/65/37/1317746537.db2.gz FYKXHPLAHKETLP-CPIKKWJDSA-N 2 0 342.409 3.139 20 0 EGADRP [NH3+][C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)CC(F)F ZINC000903919541 1317748726 /nfs/dbraw/zinc/74/87/26/1317748726.db2.gz DOMXRXFVBRJJNF-ZDUSSCGKSA-N 2 0 347.247 3.443 20 0 EGADRP FC(F)(F)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCOCC2 ZINC000903929764 1317750669 /nfs/dbraw/zinc/75/06/69/1317750669.db2.gz LCYXABBWUHSORJ-UYTSQGDYSA-N 2 0 346.437 3.198 20 0 EGADRP c1ccc2c(c1)CCOC21CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903924947 1317750884 /nfs/dbraw/zinc/75/08/84/1317750884.db2.gz ADAHWXJKTKEMBN-UHFFFAOYSA-N 2 0 348.490 3.396 20 0 EGADRP C[C@]1(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904370992 1317837335 /nfs/dbraw/zinc/83/73/35/1317837335.db2.gz GZHXHWAOGXLYSH-GJZGRUSLSA-N 2 0 334.426 3.057 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+]C3CC(C[NH3+])C3)ccn2)cc1 ZINC000904369125 1317837626 /nfs/dbraw/zinc/83/76/26/1317837626.db2.gz YRDZLCBFBVNEFJ-UHFFFAOYSA-N 2 0 327.428 3.100 20 0 EGADRP COc1cccc(C([NH2+]C2CC(C[NH3+])C2)c2cccc(OC)c2)c1 ZINC000904367228 1317838043 /nfs/dbraw/zinc/83/80/43/1317838043.db2.gz XOEUUAVUWJUZMX-UHFFFAOYSA-N 2 0 326.440 3.120 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC001020672939 1317849335 /nfs/dbraw/zinc/84/93/35/1317849335.db2.gz BCFDIZLVXKEJEA-TZCBXBLLSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474619 1317851594 /nfs/dbraw/zinc/85/15/94/1317851594.db2.gz WBBREJKLLUTTMD-QUCCMNQESA-N 2 0 340.471 3.118 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001020679265 1317856287 /nfs/dbraw/zinc/85/62/87/1317856287.db2.gz LSZRJIQMCDELBQ-UFYCRDLUSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccccc1C[NH3+])c1ccccc1 ZINC000904660851 1317877586 /nfs/dbraw/zinc/87/75/86/1317877586.db2.gz UUFXXPJDAPYSJX-HNNXBMFYSA-N 2 0 340.471 3.396 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000809735332 1317883088 /nfs/dbraw/zinc/88/30/88/1317883088.db2.gz BDUCEBAFWQCOCX-SFHVURJKSA-N 2 0 344.547 3.041 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@](C)(O)C(F)F)c2)CC1 ZINC000905088204 1317923658 /nfs/dbraw/zinc/92/36/58/1317923658.db2.gz HPAOPTQFGNZOJA-SFHVURJKSA-N 2 0 326.431 3.024 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCc2cn[nH]c2)ccc1OC ZINC000810248586 1317985185 /nfs/dbraw/zinc/98/51/85/1317985185.db2.gz YCOPPIWFIYMFKT-HNNXBMFYSA-N 2 0 330.476 3.153 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC[NH+](C)CC1 ZINC000810252729 1317986637 /nfs/dbraw/zinc/98/66/37/1317986637.db2.gz TXQWQHOZEHVFLU-CYBMUJFWSA-N 2 0 325.909 3.139 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000858345709 1328741791 /nfs/dbraw/zinc/74/17/91/1328741791.db2.gz SJPITDAGHSXJHK-SJORKVTESA-N 2 0 339.524 3.096 20 0 EGADRP Fc1cccc([C@H]2C[C@@H]2[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000906590288 1318120765 /nfs/dbraw/zinc/12/07/65/1318120765.db2.gz IILBTONDEOGRKC-UXHICEINSA-N 2 0 332.463 3.258 20 0 EGADRP COC(=O)CC1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000858370661 1328746893 /nfs/dbraw/zinc/74/68/93/1328746893.db2.gz REHRPSWMHYKWRA-UHFFFAOYSA-N 2 0 336.520 3.495 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021282280 1318170497 /nfs/dbraw/zinc/17/04/97/1318170497.db2.gz VFSPGBRTSDVKIM-SEBOWIOWSA-N 2 0 347.547 3.161 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001021380743 1318223580 /nfs/dbraw/zinc/22/35/80/1318223580.db2.gz SIIXCIJDBNFCPC-UXDRXVOSSA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001021434526 1318248451 /nfs/dbraw/zinc/24/84/51/1318248451.db2.gz KCLUQWJQFFTOPT-NXEWRWPSSA-N 2 0 349.563 3.409 20 0 EGADRP C[NH+]1CCC2(CCC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000908498910 1318355056 /nfs/dbraw/zinc/35/50/56/1318355056.db2.gz NUZHTKRGRFVKRY-LJQANCHMSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000813828519 1318638958 /nfs/dbraw/zinc/63/89/58/1318638958.db2.gz UQVQMUOESZUYPQ-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn(C)c2Cl)C[N@@H+]1Cc1ccccc1 ZINC000815131446 1318905410 /nfs/dbraw/zinc/90/54/10/1318905410.db2.gz DINQPRSPJGABDI-NVXWUHKLSA-N 2 0 346.906 3.464 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022585539 1319005037 /nfs/dbraw/zinc/00/50/37/1319005037.db2.gz QKKHGHGQVBGHQN-RNUBBMKBSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 ZINC000815576511 1319019939 /nfs/dbraw/zinc/01/99/39/1319019939.db2.gz RSZXPDNNHUQKLU-INIZCTEOSA-N 2 0 345.487 3.416 20 0 EGADRP CCc1ncc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000930169573 1328803049 /nfs/dbraw/zinc/80/30/49/1328803049.db2.gz CBZYMNDYTFEZNL-UHFFFAOYSA-N 2 0 328.460 3.371 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961256098 1319403184 /nfs/dbraw/zinc/40/31/84/1319403184.db2.gz HJHDNBSWKWTUDR-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cccc(F)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817898032 1319455516 /nfs/dbraw/zinc/45/55/16/1319455516.db2.gz YTDJOFUYQJGUQI-QUCCMNQESA-N 2 0 326.415 3.480 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1c(F)cccc1Cl ZINC000817905850 1319456527 /nfs/dbraw/zinc/45/65/27/1319456527.db2.gz OMKIGIBEIKESGB-WBQNTZJQSA-N 2 0 340.870 3.413 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817906193 1319457268 /nfs/dbraw/zinc/45/72/68/1319457268.db2.gz YARBUPCUFZZXCD-LHSJRXKWSA-N 2 0 335.451 3.386 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)c1c(Cl)cccc1Cl ZINC000817919494 1319459488 /nfs/dbraw/zinc/45/94/88/1319459488.db2.gz RVHFKEWGMPYOTR-ADAUKPJOSA-N 2 0 329.271 3.288 20 0 EGADRP OC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000817922845 1319461974 /nfs/dbraw/zinc/46/19/74/1319461974.db2.gz MXQRHWBQIUKLDX-SONFCDGGSA-N 2 0 328.500 3.327 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC ZINC000817948922 1319473792 /nfs/dbraw/zinc/47/37/92/1319473792.db2.gz MNKRSZGODYXJTK-HNNXBMFYSA-N 2 0 328.456 3.364 20 0 EGADRP COc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817951584 1319475403 /nfs/dbraw/zinc/47/54/03/1319475403.db2.gz GVOAAHWCYVWTIB-APWZRJJASA-N 2 0 331.504 3.084 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023365056 1319475694 /nfs/dbraw/zinc/47/56/94/1319475694.db2.gz VXFWZXKGFJRPAS-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023364880 1319475951 /nfs/dbraw/zinc/47/59/51/1319475951.db2.gz RXUXKYYRHTZEQJ-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023365280 1319476530 /nfs/dbraw/zinc/47/65/30/1319476530.db2.gz BHNKVFGLZGMWJU-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP COc1ccc([C@@H](C)N[C@@H](C[NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960663 1319478183 /nfs/dbraw/zinc/47/81/83/1319478183.db2.gz OZRUYOYRGLEMAM-BEFAXECRSA-N 2 0 331.504 3.069 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001023371730 1319484302 /nfs/dbraw/zinc/48/43/02/1319484302.db2.gz DHSLOQFIAOOGDZ-HSALFYBXSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023402157 1319510317 /nfs/dbraw/zinc/51/03/17/1319510317.db2.gz HDSPEJWPUFCOBZ-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CCC[N@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001023414501 1319519157 /nfs/dbraw/zinc/51/91/57/1319519157.db2.gz UWPSSTVQBTXULO-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961410823 1319567502 /nfs/dbraw/zinc/56/75/02/1319567502.db2.gz JKQAAMZLNIDDTG-UYAOXDASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000961419884 1319579202 /nfs/dbraw/zinc/57/92/02/1319579202.db2.gz HUCSTSLMRXXBKG-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818960405 1319589935 /nfs/dbraw/zinc/58/99/35/1319589935.db2.gz YXZKHNBBQDAJLK-YOEHRIQHSA-N 2 0 326.431 3.100 20 0 EGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000818984042 1319606159 /nfs/dbraw/zinc/60/61/59/1319606159.db2.gz UYIOEVAOJGBUHL-NRFANRHFSA-N 2 0 348.506 3.363 20 0 EGADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1c(F)cccc1F ZINC000819051019 1319622774 /nfs/dbraw/zinc/62/27/74/1319622774.db2.gz ZKRGHHRTRAAVOC-QGZVFWFLSA-N 2 0 326.431 3.244 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000819102597 1319635920 /nfs/dbraw/zinc/63/59/20/1319635920.db2.gz MQUGVTBCCMDZGY-DOMZBBRYSA-N 2 0 332.410 3.305 20 0 EGADRP CC(C)(C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000819259605 1319681802 /nfs/dbraw/zinc/68/18/02/1319681802.db2.gz KNDVWOXQXFHOIX-MRXNPFEDSA-N 2 0 344.421 3.450 20 0 EGADRP Cc1c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)sc2nc(C)nc(C)c12 ZINC000916837731 1319712819 /nfs/dbraw/zinc/71/28/19/1319712819.db2.gz XRMLVYVUIQTIHF-GFCCVEGCSA-N 2 0 332.517 3.438 20 0 EGADRP C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000820824171 1319963063 /nfs/dbraw/zinc/96/30/63/1319963063.db2.gz RONZQVYQAZPZGC-ZYSHUDEJSA-N 2 0 334.529 3.454 20 0 EGADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1COC2(CCCCCC2)O1 ZINC000820836363 1319965248 /nfs/dbraw/zinc/96/52/48/1319965248.db2.gz QAMQMWBXHNPKSZ-DQXYTYHJSA-N 2 0 334.504 3.200 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000821982880 1320045261 /nfs/dbraw/zinc/04/52/61/1320045261.db2.gz NLUGOZDHSQYELE-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP ClC1(Cl)C[C@H]1CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000822593289 1320101618 /nfs/dbraw/zinc/10/16/18/1320101618.db2.gz XMYGELMFEJLITQ-OAHLLOKOSA-N 2 0 335.319 3.005 20 0 EGADRP CC(C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000839588841 1320942427 /nfs/dbraw/zinc/94/24/27/1320942427.db2.gz FSPVDCHMVICHGE-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)[C@@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000840001286 1321011940 /nfs/dbraw/zinc/01/19/40/1321011940.db2.gz ZBHICSLHAUMIGB-PMACEKPBSA-N 2 0 347.547 3.035 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)nc1 ZINC000840809724 1321153575 /nfs/dbraw/zinc/15/35/75/1321153575.db2.gz NDRQZHQCENMWFF-CHWSQXEVSA-N 2 0 326.282 3.227 20 0 EGADRP CCOc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1OC(=O)CC ZINC000840911090 1321175883 /nfs/dbraw/zinc/17/58/83/1321175883.db2.gz WWOOTFWUXKCBTI-UHFFFAOYSA-N 2 0 348.487 3.174 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841032077 1321204746 /nfs/dbraw/zinc/20/47/46/1321204746.db2.gz JMEAVVGTGPNLHS-LAUBAEHRSA-N 3 0 329.532 3.321 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1O ZINC000841033707 1321205103 /nfs/dbraw/zinc/20/51/03/1321205103.db2.gz UKWRWHZAUZNVLA-OAHLLOKOSA-N 2 0 328.456 3.013 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841034012 1321205115 /nfs/dbraw/zinc/20/51/15/1321205115.db2.gz VNSRKCJZURKEBA-INIZCTEOSA-N 2 0 339.483 3.257 20 0 EGADRP CCCOc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)ccc1OC ZINC000841037305 1321205845 /nfs/dbraw/zinc/20/58/45/1321205845.db2.gz XMWXLUFRUWMVHF-UHFFFAOYSA-N 2 0 328.456 3.275 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000841081998 1321215603 /nfs/dbraw/zinc/21/56/03/1321215603.db2.gz GNYVEVKGIUIYOZ-YHUYYLMFSA-N 2 0 346.462 3.098 20 0 EGADRP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215005 1328947731 /nfs/dbraw/zinc/94/77/31/1328947731.db2.gz WTOSURCVKMTUKI-KZNAEPCWSA-N 2 0 345.531 3.073 20 0 EGADRP CN(C(=O)CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000859214017 1328947832 /nfs/dbraw/zinc/94/78/32/1328947832.db2.gz TVHCYHICKUMZSL-UHFFFAOYSA-N 2 0 339.483 3.233 20 0 EGADRP C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211790 1328946864 /nfs/dbraw/zinc/94/68/64/1328946864.db2.gz AGQFKSAEVPGVKU-UWJYYQICSA-N 2 0 326.484 3.345 20 0 EGADRP CO[C@H](Cc1ccccc1)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213327 1328947211 /nfs/dbraw/zinc/94/72/11/1328947211.db2.gz VMWAEONGCXRBHC-OAQYLSRUSA-N 2 0 326.484 3.438 20 0 EGADRP CC(C)N(C(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C(C)C ZINC000859214058 1328947911 /nfs/dbraw/zinc/94/79/11/1328947911.db2.gz LPFMZFWNJLWPJY-KRWDZBQOSA-N 2 0 333.520 3.214 20 0 EGADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc2ccccc2c1 ZINC000842473257 1321393093 /nfs/dbraw/zinc/39/30/93/1321393093.db2.gz WJDAPNBXKMIDBC-HXUWFJFHSA-N 2 0 337.467 3.242 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000842473046 1321393714 /nfs/dbraw/zinc/39/37/14/1321393714.db2.gz MVGDWRPKZQWQAY-UHFFFAOYSA-N 2 0 343.313 3.192 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@H](c3nc([C@@H]4CCC[NH2+]C4)no3)C2)c1 ZINC000842669434 1321415143 /nfs/dbraw/zinc/41/51/43/1321415143.db2.gz OXDPQAPYOXJMLD-CVEARBPZSA-N 2 0 344.434 3.055 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc([C@@H]4CCC[NH2+]C4)no3)C2)c1 ZINC000842669439 1321416022 /nfs/dbraw/zinc/41/60/22/1321416022.db2.gz OXDPQAPYOXJMLD-HZPDHXFCSA-N 2 0 344.434 3.055 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000843053728 1321462885 /nfs/dbraw/zinc/46/28/85/1321462885.db2.gz GINALSSWBZFKJU-IHWFROFDSA-N 3 0 343.515 3.005 20 0 EGADRP O[C@H](C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000843064510 1321464605 /nfs/dbraw/zinc/46/46/05/1321464605.db2.gz GZHHYVMMUVXINQ-IEBWSBKVSA-N 2 0 330.497 3.283 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843112650 1321472527 /nfs/dbraw/zinc/47/25/27/1321472527.db2.gz KMQYCPNRSGTXKC-QGZVFWFLSA-N 2 0 346.906 3.454 20 0 EGADRP c1ccc(C(c2ccccc2)[NH+]2CCN(C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000843125668 1321473584 /nfs/dbraw/zinc/47/35/84/1321473584.db2.gz DNWMCYZPWOLOEZ-NRFANRHFSA-N 2 0 335.495 3.146 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCCCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000843341517 1321502143 /nfs/dbraw/zinc/50/21/43/1321502143.db2.gz GTVSZWYHXFSFHD-CYBMUJFWSA-N 2 0 335.883 3.399 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2cc1C ZINC000843387206 1321509165 /nfs/dbraw/zinc/50/91/65/1321509165.db2.gz FQHDRVCXGLNTLE-DLBZAZTESA-N 2 0 340.467 3.231 20 0 EGADRP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843387657 1321509975 /nfs/dbraw/zinc/50/99/75/1321509975.db2.gz SVFJIHBBJAOOKM-QGZVFWFLSA-N 2 0 343.515 3.244 20 0 EGADRP c1nnn(-c2ccccc2)c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000845941587 1321756450 /nfs/dbraw/zinc/75/64/50/1321756450.db2.gz FZJYSFLOCVVOIV-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845982082 1321760499 /nfs/dbraw/zinc/76/04/99/1321760499.db2.gz FLZZWQXUZIYVGO-UHFFFAOYSA-N 2 0 339.524 3.142 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](CO)CCF)cc1C[NH+]1CCCCC1 ZINC000846210031 1321775988 /nfs/dbraw/zinc/77/59/88/1321775988.db2.gz WGWWQQHFMKJQMU-YJBOKZPZSA-N 2 0 338.467 3.052 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000847298702 1321860811 /nfs/dbraw/zinc/86/08/11/1321860811.db2.gz QBXOCFZYCKWBEA-UHFFFAOYSA-N 2 0 340.556 3.014 20 0 EGADRP C[C@@H]1C[C@H](CCNC(=[NH2+])Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000848989830 1322057002 /nfs/dbraw/zinc/05/70/02/1322057002.db2.gz DVCVZSGGGWNKDH-AEFFLSMTSA-N 2 0 337.471 3.319 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(Cl)cccc1Cl ZINC000849062930 1322063443 /nfs/dbraw/zinc/06/34/43/1322063443.db2.gz FRGDSXKJMLLDRR-NSHDSACASA-N 2 0 329.275 3.092 20 0 EGADRP C[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000849082849 1322071094 /nfs/dbraw/zinc/07/10/94/1322071094.db2.gz NSFRZQPCXMXCIO-LBPRGKRZSA-N 2 0 344.381 3.253 20 0 EGADRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849082564 1322071329 /nfs/dbraw/zinc/07/13/29/1322071329.db2.gz GMYOITGYBQIBAH-UHFFFAOYSA-N 2 0 332.370 3.253 20 0 EGADRP CSC1(CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC[NH+](C)CC1 ZINC000849084869 1322071994 /nfs/dbraw/zinc/07/19/94/1322071994.db2.gz QGVUIJPJSXLLKF-OAHLLOKOSA-N 2 0 328.570 3.143 20 0 EGADRP C[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000849083758 1322072181 /nfs/dbraw/zinc/07/21/81/1322072181.db2.gz HRCCYRFJYARKOL-JTQLQIEISA-N 2 0 330.354 3.004 20 0 EGADRP CC(C)C[C@@H]1C[C@H]1NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849116780 1322084667 /nfs/dbraw/zinc/08/46/67/1322084667.db2.gz XFBWOVUSKKSXQX-IEBWSBKVSA-N 2 0 328.504 3.200 20 0 EGADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554167 1322265198 /nfs/dbraw/zinc/26/51/98/1322265198.db2.gz ALDLJZGHISRRKN-QGZVFWFLSA-N 2 0 343.298 3.491 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000921666254 1322374044 /nfs/dbraw/zinc/37/40/44/1322374044.db2.gz CEMRVFYTKONRFN-XUVXKRRUSA-N 2 0 347.572 3.239 20 0 EGADRP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(F)c1OC ZINC000922846812 1322631909 /nfs/dbraw/zinc/63/19/09/1322631909.db2.gz PDXVOCBWIDJEJI-UHFFFAOYSA-N 2 0 336.451 3.340 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC000923390855 1322744443 /nfs/dbraw/zinc/74/44/43/1322744443.db2.gz WKGVELHPTSFAPA-KBXCAEBGSA-N 2 0 340.870 3.224 20 0 EGADRP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923413806 1322747319 /nfs/dbraw/zinc/74/73/19/1322747319.db2.gz HKAPQCVRRLZYIA-ZBONBFHTSA-N 2 0 330.476 3.009 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923486517 1322761008 /nfs/dbraw/zinc/76/10/08/1322761008.db2.gz RLGFHAQEVAKBHJ-YESZJQIVSA-N 2 0 339.483 3.076 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503268 1322763795 /nfs/dbraw/zinc/76/37/95/1322763795.db2.gz ICKLHQLRIZBQOU-QZTJIDSGSA-N 2 0 343.515 3.424 20 0 EGADRP O[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)c1ccc(F)cc1F ZINC000923505762 1322764403 /nfs/dbraw/zinc/76/44/03/1322764403.db2.gz FRGZCRJAPCCXFW-LIRRHRJNSA-N 2 0 338.442 3.100 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000931164162 1329065323 /nfs/dbraw/zinc/06/53/23/1329065323.db2.gz MSQYQOMIMBCKPS-GOSISDBHSA-N 2 0 331.504 3.026 20 0 EGADRP c1ccc(CON2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000924579083 1323061181 /nfs/dbraw/zinc/06/11/81/1323061181.db2.gz VKBSUJPQLHIRLU-UHFFFAOYSA-N 2 0 331.504 3.048 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924614832 1323077104 /nfs/dbraw/zinc/07/71/04/1323077104.db2.gz KDCQQTPUPYMDIR-QGZVFWFLSA-N 2 0 349.482 3.239 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024018685 1323081096 /nfs/dbraw/zinc/08/10/96/1323081096.db2.gz RMOHSYSHVNOHAY-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024024397 1323082242 /nfs/dbraw/zinc/08/22/42/1323082242.db2.gz ZVOYNLRTLVYKNM-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc2c1OCO2 ZINC000924703605 1323121193 /nfs/dbraw/zinc/12/11/93/1323121193.db2.gz GGRRIDHUAYIOIZ-HNNXBMFYSA-N 2 0 342.439 3.207 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000924720216 1323131663 /nfs/dbraw/zinc/13/16/63/1323131663.db2.gz HEKMSSWNKHFFHF-YRNRMSPPSA-N 2 0 349.494 3.103 20 0 EGADRP CC1(C)OC[C@@H](CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000852039630 1323137616 /nfs/dbraw/zinc/13/76/16/1323137616.db2.gz HJOQLFTWYWHIOD-CTNGQTDRSA-N 2 0 344.499 3.126 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024119376 1323149503 /nfs/dbraw/zinc/14/95/03/1323149503.db2.gz YLHWHZFEKHXRAF-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924952241 1323225763 /nfs/dbraw/zinc/22/57/63/1323225763.db2.gz WRGDFQRIBCAJPS-RDJZCZTQSA-N 2 0 338.927 3.049 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000924955264 1323227322 /nfs/dbraw/zinc/22/73/22/1323227322.db2.gz MUNGNIZDEYQAQL-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708493 1323229359 /nfs/dbraw/zinc/22/93/59/1323229359.db2.gz CCSUYHFIFRCCMU-GUYCJALGSA-N 2 0 342.405 3.297 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1csc2ccccc21 ZINC000924966346 1323231965 /nfs/dbraw/zinc/23/19/65/1323231965.db2.gz SMALOBFXDJSKDV-GJZGRUSLSA-N 2 0 345.512 3.139 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001024278146 1323256153 /nfs/dbraw/zinc/25/61/53/1323256153.db2.gz DPCSMBSDQRDZKB-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479175 1323431101 /nfs/dbraw/zinc/43/11/01/1323431101.db2.gz AZPFFEWGBXONRW-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001024502269 1323449165 /nfs/dbraw/zinc/44/91/65/1323449165.db2.gz LLCYYFWGWICZRF-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024514126 1323464436 /nfs/dbraw/zinc/46/44/36/1323464436.db2.gz VXALTXUFGUHNNB-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001024514418 1323465457 /nfs/dbraw/zinc/46/54/57/1323465457.db2.gz ZEXOWCCEUJNGAW-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001024801239 1323704459 /nfs/dbraw/zinc/70/44/59/1323704459.db2.gz LMMMILBAXPLLAS-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)cs1 ZINC001024982758 1323813497 /nfs/dbraw/zinc/81/34/97/1323813497.db2.gz BCEAQNWYJDGKOH-GOSISDBHSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)[NH+](C)C ZINC001024993756 1323815601 /nfs/dbraw/zinc/81/56/01/1323815601.db2.gz KZTIZLIGOTZXAO-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001025011075 1323825168 /nfs/dbraw/zinc/82/51/68/1323825168.db2.gz SWSJUGLWIATHME-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@@H]2CCCCN2C(=O)C23CCC[NH+]2CCC3)C1 ZINC001025011129 1323825464 /nfs/dbraw/zinc/82/54/64/1323825464.db2.gz VRGWVESPGSNCPW-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001025056152 1323859769 /nfs/dbraw/zinc/85/97/69/1323859769.db2.gz BDODJNMEUSHOHK-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001025130660 1323910672 /nfs/dbraw/zinc/91/06/72/1323910672.db2.gz DZFBEKHTVJZUOF-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000859996252 1329124791 /nfs/dbraw/zinc/12/47/91/1329124791.db2.gz BMMUYDHUTGYDHI-GOSISDBHSA-N 2 0 330.472 3.056 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240868 1324034575 /nfs/dbraw/zinc/03/45/75/1324034575.db2.gz RRCMBFXJLZHWAT-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001025469495 1324315531 /nfs/dbraw/zinc/31/55/31/1324315531.db2.gz PZZNVELNBLXLTI-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475871 1324320496 /nfs/dbraw/zinc/32/04/96/1324320496.db2.gz VUJAJORDSUGJHS-FUHWJXTLSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025485492 1324334843 /nfs/dbraw/zinc/33/48/43/1324334843.db2.gz NVUNJDMHYPZPIH-DLBZAZTESA-N 2 0 340.471 3.131 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025589360 1324434118 /nfs/dbraw/zinc/43/41/18/1324434118.db2.gz FIPBWJLCUDAJBO-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026465267 1324824825 /nfs/dbraw/zinc/82/48/25/1324824825.db2.gz NVFXNDZRDIJRDW-ACBHZAAOSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001026540716 1324877107 /nfs/dbraw/zinc/87/71/07/1324877107.db2.gz WJSFVWSSPOKYGU-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001026916410 1325080488 /nfs/dbraw/zinc/08/04/88/1325080488.db2.gz HKQIEFRQUCBRKS-AZUAARDMSA-N 2 0 345.531 3.088 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000925238686 1325091663 /nfs/dbraw/zinc/09/16/63/1325091663.db2.gz AOEGBLZLUZKUTI-SFTDATJTSA-N 2 0 341.499 3.426 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963359018 1325154310 /nfs/dbraw/zinc/15/43/10/1325154310.db2.gz ZWKCCMJOWWPADW-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925471247 1325165529 /nfs/dbraw/zinc/16/55/29/1325165529.db2.gz BBNXPQFUOCCDID-VQTJNVASSA-N 2 0 349.563 3.172 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@@H](CCC[NH3+])c3ccccc3)C2)c1 ZINC000925480631 1325168484 /nfs/dbraw/zinc/16/84/84/1325168484.db2.gz WBGJJHLLHANZTC-RXVVDRJESA-N 2 0 339.483 3.344 20 0 EGADRP c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc1 ZINC000925492863 1325175159 /nfs/dbraw/zinc/17/51/59/1325175159.db2.gz IXZMCNUHYMPFMA-NHCUHLMSSA-N 2 0 327.516 3.413 20 0 EGADRP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925514501 1325185973 /nfs/dbraw/zinc/18/59/73/1325185973.db2.gz PJEOOLVMOYNFFP-WOJBJXKFSA-N 2 0 341.499 3.071 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001027062930 1325199710 /nfs/dbraw/zinc/19/97/10/1325199710.db2.gz FGWQUWAEHNGLQB-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(Br)cc1F ZINC000925558770 1325208114 /nfs/dbraw/zinc/20/81/14/1325208114.db2.gz WEFPUQVKHNDORZ-FFMGESDNSA-N 2 0 341.268 3.236 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000925589589 1325222891 /nfs/dbraw/zinc/22/28/91/1325222891.db2.gz ZJQXDGDHOGUKDZ-ROUUACIJSA-N 2 0 341.503 3.286 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOc1cccc2cccnc21 ZINC000925599776 1325228606 /nfs/dbraw/zinc/22/86/06/1325228606.db2.gz UDBLAOHBSNKUGF-GIOYIUAESA-N 2 0 325.456 3.109 20 0 EGADRP C[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001027105624 1325229975 /nfs/dbraw/zinc/22/99/75/1325229975.db2.gz OZOWIKZZMOLCLC-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)NCC2([NH3+])CCCC2)ccc1OC ZINC000854222827 1325230372 /nfs/dbraw/zinc/23/03/72/1325230372.db2.gz LJXXUJPGXRTWBM-INIZCTEOSA-N 2 0 333.520 3.459 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000925618361 1325232826 /nfs/dbraw/zinc/23/28/26/1325232826.db2.gz ZVDSHXLULNYENI-JENIJYKNSA-N 2 0 326.488 3.371 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000925618363 1325233303 /nfs/dbraw/zinc/23/33/03/1325233303.db2.gz ZVDSHXLULNYENI-ZIFCJYIRSA-N 2 0 326.488 3.371 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000925627240 1325238198 /nfs/dbraw/zinc/23/81/98/1325238198.db2.gz APXHOSAOOOQUOH-ZPBACHKLSA-N 2 0 337.870 3.163 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)C12CCC2 ZINC000925642563 1325244366 /nfs/dbraw/zinc/24/43/66/1325244366.db2.gz HPVNWKRZAMUTOJ-MAZHCROVSA-N 2 0 339.405 3.144 20 0 EGADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1 ZINC000925690838 1325261789 /nfs/dbraw/zinc/26/17/89/1325261789.db2.gz LIJZCXDYRNNRPD-SLFFLAALSA-N 2 0 325.456 3.372 20 0 EGADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C(=O)NCc1cccs1 ZINC000925713815 1325267290 /nfs/dbraw/zinc/26/72/90/1325267290.db2.gz UNZBEPLAIRLKOX-ROUUACIJSA-N 2 0 345.512 3.213 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(c3ccc(Cl)cc3F)C1)[NH2+]2 ZINC000925719004 1325269862 /nfs/dbraw/zinc/26/98/62/1325269862.db2.gz PFQLLKSNOROLHD-VJOHVRBBSA-N 2 0 337.870 3.176 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccccc1 ZINC000925728283 1325272064 /nfs/dbraw/zinc/27/20/64/1325272064.db2.gz KKXZXSKHUGCTEK-SFHVURJKSA-N 2 0 325.456 3.236 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000925740601 1325277556 /nfs/dbraw/zinc/27/75/56/1325277556.db2.gz JUUPKGPWTDRRRP-CYBMUJFWSA-N 2 0 327.266 3.380 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)CC1 ZINC000854675581 1325292735 /nfs/dbraw/zinc/29/27/35/1325292735.db2.gz KSFZEAGXIXOLNA-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc21 ZINC000925817052 1325314803 /nfs/dbraw/zinc/31/48/03/1325314803.db2.gz MQOXRKPKPGVUSU-JTSKRJEESA-N 2 0 335.495 3.430 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925825194 1325318454 /nfs/dbraw/zinc/31/84/54/1325318454.db2.gz XWJSOLVKSITEJA-FVWXCPNNSA-N 3 0 330.520 3.296 20 0 EGADRP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)n1 ZINC000925874460 1325338638 /nfs/dbraw/zinc/33/86/38/1325338638.db2.gz ZNAABCOYKYXEMF-TWMKSMIVSA-N 2 0 332.492 3.026 20 0 EGADRP CCC(CC)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCO1 ZINC000926110521 1325432751 /nfs/dbraw/zinc/43/27/51/1325432751.db2.gz WVFRZSCBHGYRSZ-FCFHUKJJSA-N 2 0 338.536 3.202 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000926114298 1325433438 /nfs/dbraw/zinc/43/34/38/1325433438.db2.gz MHXNVELGBMDZTH-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP C/C=C/C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926200819 1325467469 /nfs/dbraw/zinc/46/74/69/1325467469.db2.gz JZLVUQYGXJMTIG-MIUMLDSBSA-N 2 0 328.500 3.489 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000964021812 1325477318 /nfs/dbraw/zinc/47/73/18/1325477318.db2.gz IOYPPEKLUDLKOY-UHFFFAOYSA-N 2 0 331.504 3.129 20 0 EGADRP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(C[NH+](C)C)c3)CC2)n[nH]1 ZINC000926241895 1325489940 /nfs/dbraw/zinc/48/99/40/1325489940.db2.gz ZQZSOQIZGOPQQN-INIZCTEOSA-N 2 0 341.503 3.099 20 0 EGADRP Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926249756 1325490422 /nfs/dbraw/zinc/49/04/22/1325490422.db2.gz DSSFLFNDYUZNRQ-UTKZUKDTSA-N 2 0 326.484 3.311 20 0 EGADRP CC(C)(C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2)[NH+]1CCCC1 ZINC000964605907 1325570551 /nfs/dbraw/zinc/57/05/51/1325570551.db2.gz VQDBNYKOOWLRAO-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926671758 1327659622 /nfs/dbraw/zinc/65/96/22/1327659622.db2.gz CJFDDHIBCDJMFR-INIZCTEOSA-N 2 0 340.467 3.315 20 0 EGADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926693684 1327670353 /nfs/dbraw/zinc/67/03/53/1327670353.db2.gz OBUHMAJWBJOJRT-RTWAWAEBSA-N 2 0 345.531 3.215 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027435153 1327673343 /nfs/dbraw/zinc/67/33/43/1327673343.db2.gz ZGJFYWBSDLQDBB-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027435151 1327674888 /nfs/dbraw/zinc/67/48/88/1327674888.db2.gz ZGJFYWBSDLQDBB-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926718844 1327682911 /nfs/dbraw/zinc/68/29/11/1327682911.db2.gz NOKNZRQWGNFMSF-WBVHZDCISA-N 2 0 331.504 3.046 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926750946 1327699291 /nfs/dbraw/zinc/69/92/91/1327699291.db2.gz NKTAEDLFKIEBMJ-YOEHRIQHSA-N 2 0 325.447 3.128 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027464431 1327714621 /nfs/dbraw/zinc/71/46/21/1327714621.db2.gz GFYYRZAMSOEWHD-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cccc(C[NH+](C)C)c1 ZINC000926829527 1327734465 /nfs/dbraw/zinc/73/44/65/1327734465.db2.gz IGLVLXNIESXXFE-CYBMUJFWSA-N 2 0 340.393 3.314 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCN2CC(F)(F)F)CC1 ZINC000926924433 1327778224 /nfs/dbraw/zinc/77/82/24/1327778224.db2.gz XJQFXADIGGPARO-CGZBRXJRSA-N 2 0 347.469 3.400 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000927038889 1327826706 /nfs/dbraw/zinc/82/67/06/1327826706.db2.gz RTKBQDYIYNOFPR-TVRKMHQQSA-N 2 0 331.508 3.423 20 0 EGADRP C[N@H+](CC1CC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541847 1327845543 /nfs/dbraw/zinc/84/55/43/1327845543.db2.gz CBKVVJSCGWMIFQ-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC1([NH+]2CCCC2)CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000928011520 1328171000 /nfs/dbraw/zinc/17/10/00/1328171000.db2.gz VNJLGTIMMZTPDP-MOMVYJMYSA-N 2 0 347.547 3.307 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885718 1328354545 /nfs/dbraw/zinc/35/45/45/1328354545.db2.gz IQILISKMKJVGIY-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027931772 1328410806 /nfs/dbraw/zinc/41/08/06/1328410806.db2.gz KJMHKVMMKCMZHW-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027986422 1328458410 /nfs/dbraw/zinc/45/84/10/1328458410.db2.gz WUSQNDCLYJUHSV-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000865496040 1329705261 /nfs/dbraw/zinc/70/52/61/1329705261.db2.gz RFGSZQBBXODNJE-WOJBJXKFSA-N 2 0 346.515 3.331 20 0 EGADRP Brc1ncccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000865580143 1329716070 /nfs/dbraw/zinc/71/60/70/1329716070.db2.gz SXSZSBRLPDOEPZ-UHFFFAOYSA-N 2 0 326.282 3.200 20 0 EGADRP Cc1nccn1CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931794533 1329761496 /nfs/dbraw/zinc/76/14/96/1329761496.db2.gz AMEBQHJFKJEDFR-FQEVSTJZSA-N 2 0 335.455 3.343 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000932970026 1329852060 /nfs/dbraw/zinc/85/20/60/1329852060.db2.gz TYTNEAIWIVPPOX-MRXNPFEDSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000933780298 1329922395 /nfs/dbraw/zinc/92/23/95/1329922395.db2.gz XFCZEDQKXMNKRK-QGZVFWFLSA-N 2 0 347.503 3.069 20 0 EGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CC[NH2+]C(C)(C)C)cc2)C1 ZINC000933918849 1329933519 /nfs/dbraw/zinc/93/35/19/1329933519.db2.gz WSABGGLXINWGHI-INIZCTEOSA-N 2 0 347.503 3.124 20 0 EGADRP CCC[N@H+](CC[C@H]1CCOC1=O)C1CCN(Cc2ccccc2)CC1 ZINC000934190022 1329953682 /nfs/dbraw/zinc/95/36/82/1329953682.db2.gz UUOKVOXNMSEAEZ-IBGZPJMESA-N 2 0 344.499 3.316 20 0 EGADRP CC(C)(CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)C[NH+]1CCCC1 ZINC000935626369 1330065631 /nfs/dbraw/zinc/06/56/31/1330065631.db2.gz DNVCONQAIJHHQV-UHFFFAOYSA-N 2 0 347.503 3.117 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000866467943 1330116245 /nfs/dbraw/zinc/11/62/45/1330116245.db2.gz VAVRQXQUGXJKLX-UHFFFAOYSA-N 2 0 344.547 3.146 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000866589973 1330130135 /nfs/dbraw/zinc/13/01/35/1330130135.db2.gz LJTJNXJQRQOORE-IBGZPJMESA-N 2 0 333.907 3.039 20 0 EGADRP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000866661511 1330138768 /nfs/dbraw/zinc/13/87/68/1330138768.db2.gz RDXPVQFAHXMVPM-LJQANCHMSA-N 2 0 331.504 3.058 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866666269 1330139599 /nfs/dbraw/zinc/13/95/99/1330139599.db2.gz PAMMBAIQSPANGQ-HKUYNNGSSA-N 2 0 329.488 3.034 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942206321 1331878725 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CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000969108547 1336146540 /nfs/dbraw/zinc/14/65/40/1336146540.db2.gz FLUCTZNGZSEZEY-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000969156572 1336166186 /nfs/dbraw/zinc/16/61/86/1336166186.db2.gz WWXYQSIPZRFPOP-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)CCC(C[NH2+][C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000969198076 1336174503 /nfs/dbraw/zinc/17/45/03/1336174503.db2.gz WTGUIFTVPHYOKV-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969799244 1336248481 /nfs/dbraw/zinc/24/84/81/1336248481.db2.gz WBADVGJPFDYCNX-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503133 1336363314 /nfs/dbraw/zinc/36/33/14/1336363314.db2.gz IFABQWFXJMHQJE-HKUYNNGSSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005640224 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ZINC001008297155 1336817125 /nfs/dbraw/zinc/81/71/25/1336817125.db2.gz BVKZZZONDZJVRL-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CN(C)Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001008345539 1336828767 /nfs/dbraw/zinc/82/87/67/1336828767.db2.gz UQRHJWITFWCZJA-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001008529238 1336876323 /nfs/dbraw/zinc/87/63/23/1336876323.db2.gz DVBZTZQOHUVQMP-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001008530310 1336876614 /nfs/dbraw/zinc/87/66/14/1336876614.db2.gz IXGVDAOIKWTWQT-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008537495 1336877306 /nfs/dbraw/zinc/87/73/06/1336877306.db2.gz DCMDHLBIBOLZBM-PXNSSMCTSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001008541584 1336877727 /nfs/dbraw/zinc/87/77/27/1336877727.db2.gz RLXKEVBCMKRHKB-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001008773617 1336924301 /nfs/dbraw/zinc/92/43/01/1336924301.db2.gz YYESRWLVUSFACS-MSOLQXFVSA-N 2 0 349.544 3.092 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001009637556 1337050311 /nfs/dbraw/zinc/05/03/11/1337050311.db2.gz PCMBOKLVMFGSBA-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)C2)ccc2c[nH+]cn21 ZINC001015034206 1337997597 /nfs/dbraw/zinc/99/75/97/1337997597.db2.gz SVAQZDJQSMDUSQ-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015056105 1338004235 /nfs/dbraw/zinc/00/42/35/1338004235.db2.gz GOURKUSYQLKSHS-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015288431 1338085277 /nfs/dbraw/zinc/08/52/77/1338085277.db2.gz CUWHFHQQGLEMQW-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015791683 1338312223 /nfs/dbraw/zinc/31/22/23/1338312223.db2.gz KHZMTDXAGNGLPG-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016610923 1338663077 /nfs/dbraw/zinc/66/30/77/1338663077.db2.gz AEIXYDLATSZLHZ-ROUUACIJSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016611689 1338663418 /nfs/dbraw/zinc/66/34/18/1338663418.db2.gz FEDGANMCTRONSL-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001016793316 1338728911 /nfs/dbraw/zinc/72/89/11/1338728911.db2.gz JHWDMISYJUPFCN-OKZBNKHCSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016829638 1338739685 /nfs/dbraw/zinc/73/96/85/1338739685.db2.gz MHXNUAGTHQVAEV-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001017133593 1338887050 /nfs/dbraw/zinc/88/70/50/1338887050.db2.gz SZUOGQGWAQFSQU-MISYRCLQSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001018849231 1339737731 /nfs/dbraw/zinc/73/77/31/1339737731.db2.gz RKZOPVHCQMDTOO-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001028181018 1340470748 /nfs/dbraw/zinc/47/07/48/1340470748.db2.gz LVUQHUTWTIVAMX-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(NC[C@@H]1CC[N@H+](CC2CCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028756055 1340791983 /nfs/dbraw/zinc/79/19/83/1340791983.db2.gz ZTDYNBQMGVHABO-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870278 1340870545 /nfs/dbraw/zinc/87/05/45/1340870545.db2.gz NRCVFVLKGQLQEH-LJQANCHMSA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]CC3CCCC3)CC2)CC[N@@H+]1C ZINC001029100710 1340929979 /nfs/dbraw/zinc/92/99/79/1340929979.db2.gz CXACCBFBUGMVSB-FFZOFVMBSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001029107615 1340931739 /nfs/dbraw/zinc/93/17/39/1340931739.db2.gz PSOBTFYHALWYPC-UZLBHIALSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001029107609 1340931776 /nfs/dbraw/zinc/93/17/76/1340931776.db2.gz PSOBTFYHALWYPC-JXFKEZNVSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001029108868 1340931987 /nfs/dbraw/zinc/93/19/87/1340931987.db2.gz UEGSELAGRRRIGI-INIZCTEOSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001029145951 1340942637 /nfs/dbraw/zinc/94/26/37/1340942637.db2.gz FUEUSSPYHOQEEB-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001029172556 1340948573 /nfs/dbraw/zinc/94/85/73/1340948573.db2.gz FXBTZLYYNSSGMJ-XBMUEBEBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001029336715 1340973803 /nfs/dbraw/zinc/97/38/03/1340973803.db2.gz WUMUHLGPRPEYFD-QRVBRYPASA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001029360259 1340977252 /nfs/dbraw/zinc/97/72/52/1340977252.db2.gz YTLDLMVUDKGKDZ-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001029767542 1341066924 /nfs/dbraw/zinc/06/69/24/1341066924.db2.gz UBWGUTKYOURJRL-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001030014914 1341158517 /nfs/dbraw/zinc/15/85/17/1341158517.db2.gz TYCVCUJOIXITRH-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001030020721 1341159793 /nfs/dbraw/zinc/15/97/93/1341159793.db2.gz PBSBJXVPZXOAMF-ZULIPRJHSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001030441618 1341187816 /nfs/dbraw/zinc/18/78/16/1341187816.db2.gz CFKBFBJVCNKFGX-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001030823386 1341230649 /nfs/dbraw/zinc/23/06/49/1341230649.db2.gz AHFVAIUHCAKQEM-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001032129302 1341460217 /nfs/dbraw/zinc/46/02/17/1341460217.db2.gz VBUOUYRRELNTFM-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2C[NH+](CCC(C)(C)C)C2)o1 ZINC001032219043 1341475821 /nfs/dbraw/zinc/47/58/21/1341475821.db2.gz KPYRDYPTKLIXAF-UHFFFAOYSA-N 2 0 349.519 3.219 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033466918 1341837750 /nfs/dbraw/zinc/83/77/50/1341837750.db2.gz JBGZEJOJZWPQEV-IEBWSBKVSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001033552263 1341867758 /nfs/dbraw/zinc/86/77/58/1341867758.db2.gz UZSPAUFQKKOWNK-FQEVSTJZSA-N 2 0 347.547 3.140 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CCC3CC3)C2)o1 ZINC001033696945 1341963280 /nfs/dbraw/zinc/96/32/80/1341963280.db2.gz ADVQAGZOEHWFGN-KRWDZBQOSA-N 2 0 347.503 3.068 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033837640 1342035944 /nfs/dbraw/zinc/03/59/44/1342035944.db2.gz TXUVCWHJRXZPMB-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033935870 1342098603 /nfs/dbraw/zinc/09/86/03/1342098603.db2.gz JWZQZAYPOTUZAW-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001034005110 1342142360 /nfs/dbraw/zinc/14/23/60/1342142360.db2.gz RNSDEKBHCKGATG-QLOJAFMTSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034204495 1342315441 /nfs/dbraw/zinc/31/54/41/1342315441.db2.gz MZTYDGNGOSVNSV-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034241283 1342341570 /nfs/dbraw/zinc/34/15/70/1342341570.db2.gz XGOMOSOPWFGXQK-MSOLQXFVSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251025 1342347499 /nfs/dbraw/zinc/34/74/99/1342347499.db2.gz UZJCDQUDMVUJTE-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034291578 1342376968 /nfs/dbraw/zinc/37/69/68/1342376968.db2.gz ZYPPNRGTOGGPFM-IBGZPJMESA-N 2 0 345.531 3.086 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308391 1342391781 /nfs/dbraw/zinc/39/17/81/1342391781.db2.gz AXSCTCLXSQGCTP-SFHVURJKSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001034340327 1342413154 /nfs/dbraw/zinc/41/31/54/1342413154.db2.gz NOLQARUWUFIBHW-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](C/C=C/Cl)C2)cc1 ZINC001034444726 1342504910 /nfs/dbraw/zinc/50/49/10/1342504910.db2.gz KNEKAOQDENXIIU-CZIMKVFHSA-N 2 0 349.906 3.085 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034538138 1342594499 /nfs/dbraw/zinc/59/44/99/1342594499.db2.gz JCMRDWXZCGSEFD-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538439 1342596746 /nfs/dbraw/zinc/59/67/46/1342596746.db2.gz STHBEXDERJATDR-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544971 1342605788 /nfs/dbraw/zinc/60/57/88/1342605788.db2.gz WROOLLIROGDNRI-ROUUACIJSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001034607116 1342645046 /nfs/dbraw/zinc/64/50/46/1342645046.db2.gz LDRDYKWEUYXEDE-UAFMIMERSA-N 2 0 343.515 3.249 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001034607102 1342645226 /nfs/dbraw/zinc/64/52/26/1342645226.db2.gz KVTMBHISRMYLHL-FHWLQOOXSA-N 2 0 347.547 3.068 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034938228 1342844401 /nfs/dbraw/zinc/84/44/01/1342844401.db2.gz JWUXWGLTWBPRHX-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001034964405 1342855218 /nfs/dbraw/zinc/85/52/18/1342855218.db2.gz LQJNDXLIBQIKHQ-GGPKGHCWSA-N 2 0 345.531 3.223 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001034973794 1342859872 /nfs/dbraw/zinc/85/98/72/1342859872.db2.gz CUIPGBRVLHMAPO-QWFCFKBJSA-N 2 0 345.531 3.285 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001035071226 1342911741 /nfs/dbraw/zinc/91/17/41/1342911741.db2.gz RBKUJECRYPVPKV-QZTJIDSGSA-N 2 0 349.544 3.092 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)cc1 ZINC001035081103 1342916697 /nfs/dbraw/zinc/91/66/97/1342916697.db2.gz YEYKCOPVCRJBNZ-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001035091628 1342921370 /nfs/dbraw/zinc/92/13/70/1342921370.db2.gz HLDVJNPEIDBCRC-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)o1 ZINC001035139244 1342955794 /nfs/dbraw/zinc/95/57/94/1342955794.db2.gz HPXKCFHLLJOXFC-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035257052 1343082986 /nfs/dbraw/zinc/08/29/86/1343082986.db2.gz RLZILHLGKFSWNA-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810210 1343210069 /nfs/dbraw/zinc/21/00/69/1343210069.db2.gz JSNFHFGHCHUQFF-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810598 1343210180 /nfs/dbraw/zinc/21/01/80/1343210180.db2.gz OVSHDFZUYAYVGU-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810879 1343210552 /nfs/dbraw/zinc/21/05/52/1343210552.db2.gz UIRYZFNVNRBTOE-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035857651 1343233934 /nfs/dbraw/zinc/23/39/34/1343233934.db2.gz YZNLHASYPGRZRW-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035858187 1343234397 /nfs/dbraw/zinc/23/43/97/1343234397.db2.gz PWZMYDQGUKIHJO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)[C@H](C)C2)CC1 ZINC001036227186 1343369650 /nfs/dbraw/zinc/36/96/50/1343369650.db2.gz WGQUMXSHRBPAGE-UYAOXDASSA-N 2 0 347.547 3.045 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)[C@@H](C)C2)CC1 ZINC001036229109 1343369893 /nfs/dbraw/zinc/36/98/93/1343369893.db2.gz GUABPROUFIZTSU-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036311623 1343413260 /nfs/dbraw/zinc/41/32/60/1343413260.db2.gz PXAMWDWBHQQPHM-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001036407384 1343468543 /nfs/dbraw/zinc/46/85/43/1343468543.db2.gz VXAQFJQZOINEMN-GJZGRUSLSA-N 2 0 337.533 3.048 20 0 EGADRP CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001037847411 1344135185 /nfs/dbraw/zinc/13/51/85/1344135185.db2.gz FCBPHUBUTGGMAV-NVXWUHKLSA-N 2 0 349.544 3.050 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037862904 1344147161 /nfs/dbraw/zinc/14/71/61/1344147161.db2.gz WMOBCLFYZHSRCF-AZUAARDMSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038341252 1344388410 /nfs/dbraw/zinc/38/84/10/1344388410.db2.gz QFUSTAJDOVLRLX-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038448554 1344431069 /nfs/dbraw/zinc/43/10/69/1344431069.db2.gz JAIFFMLXOVEHBW-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCC1=CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038462890 1344435217 /nfs/dbraw/zinc/43/52/17/1344435217.db2.gz POUOFJYZYJSCOL-GOSISDBHSA-N 2 0 338.455 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038625881 1344510047 /nfs/dbraw/zinc/51/00/47/1344510047.db2.gz SMJHIDOTHOCAKS-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039075041 1344756891 /nfs/dbraw/zinc/75/68/91/1344756891.db2.gz XQDMZUVLDKKIBU-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039166477 1344851657 /nfs/dbraw/zinc/85/16/57/1344851657.db2.gz ZAZOWBFRYWBGSZ-ICSRJNTNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039220392 1344937761 /nfs/dbraw/zinc/93/77/61/1344937761.db2.gz YZHIYVJMYYAOFP-IEBWSBKVSA-N 2 0 340.471 3.059 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235316 1344956094 /nfs/dbraw/zinc/95/60/94/1344956094.db2.gz WFTKGWOFKKDLSU-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241749 1344967056 /nfs/dbraw/zinc/96/70/56/1344967056.db2.gz IBEJKDXEFGNFDL-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039313760 1345009501 /nfs/dbraw/zinc/00/95/01/1345009501.db2.gz OJOTWTJPKKBKEC-NXEWRWPSSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC1 ZINC001039643779 1345152607 /nfs/dbraw/zinc/15/26/07/1345152607.db2.gz BBZYHHCEHNTXHH-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@@H](C)CC)C1 ZINC001039861132 1345217143 /nfs/dbraw/zinc/21/71/43/1345217143.db2.gz XMRBIORCVVOPSK-LWYYNNOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC1 ZINC001039937846 1345252050 /nfs/dbraw/zinc/25/20/50/1345252050.db2.gz HCEMCBXHLCPGFN-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040232179 1345386722 /nfs/dbraw/zinc/38/67/22/1345386722.db2.gz OIEFGMIZUSFYPI-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270291 1345404835 /nfs/dbraw/zinc/40/48/35/1345404835.db2.gz GQTFYZQBNYFNPK-OAQYLSRUSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387614 1345471148 /nfs/dbraw/zinc/47/11/48/1345471148.db2.gz DTVSYLBLSNMGRS-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1=CCCCC1)C2)[NH+](C)C ZINC001040400376 1345477167 /nfs/dbraw/zinc/47/71/67/1345477167.db2.gz UFJFBNXURRTFRN-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040722942 1345570969 /nfs/dbraw/zinc/57/09/69/1345570969.db2.gz GPTDCRYEYWEFJA-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001040874899 1345592161 /nfs/dbraw/zinc/59/21/61/1345592161.db2.gz MANBHJTZRIBRFL-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275524 1345691891 /nfs/dbraw/zinc/69/18/91/1345691891.db2.gz DYNWEHCRHJUSHV-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285968 1345694544 /nfs/dbraw/zinc/69/45/44/1345694544.db2.gz ILEUHPXXGJBKNC-NRFANRHFSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041373875 1345711380 /nfs/dbraw/zinc/71/13/80/1345711380.db2.gz YPJXNPMYWDREKD-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3=CCCCC3)C2)C1)[NH+](C)C ZINC001041404490 1345719129 /nfs/dbraw/zinc/71/91/29/1345719129.db2.gz UHWSKERSOIHNCK-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590166 1345784563 /nfs/dbraw/zinc/78/45/63/1345784563.db2.gz OMQCYZKVRNXPIL-CTNGQTDRSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722864 1345832264 /nfs/dbraw/zinc/83/22/64/1345832264.db2.gz BSNBRJVVBYEAKD-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767612 1345843398 /nfs/dbraw/zinc/84/33/98/1345843398.db2.gz JUFZUNAUZXVERY-NRFANRHFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042725131 1346110425 /nfs/dbraw/zinc/11/04/25/1346110425.db2.gz LPWVJPLKVVPIEA-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001044034161 1346237520 /nfs/dbraw/zinc/23/75/20/1346237520.db2.gz GIKBEXFAIKFQHS-ICSRJNTNSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044330366 1346300973 /nfs/dbraw/zinc/30/09/73/1346300973.db2.gz ZZLFQYFEBVEVFT-CALCHBBNSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044765222 1346423900 /nfs/dbraw/zinc/42/39/00/1346423900.db2.gz HHOVDGXELKGPLB-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767448 1346424441 /nfs/dbraw/zinc/42/44/41/1346424441.db2.gz OSTZMKQITJQAIE-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044878907 1346452975 /nfs/dbraw/zinc/45/29/75/1346452975.db2.gz OALFDOAGOAIKMI-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001045089673 1346493170 /nfs/dbraw/zinc/49/31/70/1346493170.db2.gz KTBKLVFYPGWBBM-AZUAARDMSA-N 2 0 345.531 3.033 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C(C)C)[NH+](C)C ZINC001045205667 1346529764 /nfs/dbraw/zinc/52/97/64/1346529764.db2.gz RDFXYCDULPQMBU-ICSRJNTNSA-N 2 0 345.531 3.231 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045390141 1346580842 /nfs/dbraw/zinc/58/08/42/1346580842.db2.gz ORVNDXCNNRCYBH-OALUTQOASA-N 2 0 343.515 3.203 20 0 EGADRP CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441881 1346594650 /nfs/dbraw/zinc/59/46/50/1346594650.db2.gz LGEIEVRIAUTLJX-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001045529749 1346618782 /nfs/dbraw/zinc/61/87/82/1346618782.db2.gz XWKDBHCXVHERDO-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943346 1346779143 /nfs/dbraw/zinc/77/91/43/1346779143.db2.gz IILQJKWWDDYHMW-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943467 1346779311 /nfs/dbraw/zinc/77/93/11/1346779311.db2.gz IWOSMCTXPSFHGX-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045965865 1346801428 /nfs/dbraw/zinc/80/14/28/1346801428.db2.gz WSELGMAUQCSOCG-CTNGQTDRSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974065 1346810361 /nfs/dbraw/zinc/81/03/61/1346810361.db2.gz XFBACPBGZZOGNG-FPOVZHCZSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046198582 1346886393 /nfs/dbraw/zinc/88/63/93/1346886393.db2.gz VXXNXUPKTCNNBA-QUCCMNQESA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001046315630 1346931188 /nfs/dbraw/zinc/93/11/88/1346931188.db2.gz KQEQDYMKMFIYOP-AZUAARDMSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046316729 1346932016 /nfs/dbraw/zinc/93/20/16/1346932016.db2.gz QGZOMOVLKALRSR-PZJWPPBQSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319829 1346933552 /nfs/dbraw/zinc/93/35/52/1346933552.db2.gz XCMRJTAJGNEMDM-RXVVDRJESA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046556623 1347015794 /nfs/dbraw/zinc/01/57/94/1347015794.db2.gz JVHVYYATLKBVFW-PZJWPPBQSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046558660 1347016107 /nfs/dbraw/zinc/01/61/07/1347016107.db2.gz UPAFXGJGAVHXOS-ICSRJNTNSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC3CCCC3)C2)cc1 ZINC001046707805 1347068990 /nfs/dbraw/zinc/06/89/90/1347068990.db2.gz XFWFCAAKECAZQU-NRFANRHFSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CCC3CC3)C2)o1 ZINC001046864980 1347137355 /nfs/dbraw/zinc/13/73/55/1347137355.db2.gz ZDZSCTPEFZYBEX-HXUWFJFHSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047240945 1347266967 /nfs/dbraw/zinc/26/69/67/1347266967.db2.gz LVGOWAOEUWUDCC-WOJBJXKFSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047243219 1347269187 /nfs/dbraw/zinc/26/91/87/1347269187.db2.gz JBDLRVLDZFVHMV-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263310 1347284547 /nfs/dbraw/zinc/28/45/47/1347284547.db2.gz GASNNXSCCPAVSM-AZUAARDMSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001047863393 1347393236 /nfs/dbraw/zinc/39/32/36/1347393236.db2.gz CUXVOGSSWNOSSX-AEFFLSMTSA-N 2 0 346.519 3.139 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047926387 1347411993 /nfs/dbraw/zinc/41/19/93/1347411993.db2.gz ZWYBZBLARICHRB-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047971202 1347429347 /nfs/dbraw/zinc/42/93/47/1347429347.db2.gz CIEUWWRGFDJDNG-MJGOQNOKSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001048276411 1347508502 /nfs/dbraw/zinc/50/85/02/1347508502.db2.gz GYKBYNDGDQJNFR-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001048282329 1347509460 /nfs/dbraw/zinc/50/94/60/1347509460.db2.gz ZXKGNOSPVISHLE-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532060 1347581206 /nfs/dbraw/zinc/58/12/06/1347581206.db2.gz QELNEERRHSLULB-YSTOQKLRSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538213 1347583550 /nfs/dbraw/zinc/58/35/50/1347583550.db2.gz MONXXPZNJKYQNS-KNJMJIDISA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543165 1347585127 /nfs/dbraw/zinc/58/51/27/1347585127.db2.gz PLHZLAMIKKRXLE-VBUUOAMHSA-N 2 0 340.471 3.107 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482467 1347870174 /nfs/dbraw/zinc/87/01/74/1347870174.db2.gz NKXLVBMAQIACMH-YRPNKDGESA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CC1 ZINC001049526171 1347892126 /nfs/dbraw/zinc/89/21/26/1347892126.db2.gz UAPATHNOBHXKJN-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049663762 1347963355 /nfs/dbraw/zinc/96/33/55/1347963355.db2.gz NDDDFJJDSHRNBX-XUVXKRRUSA-N 2 0 347.547 3.259 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049723817 1347990815 /nfs/dbraw/zinc/99/08/15/1347990815.db2.gz OZIWKRYADJVBHC-MISYRCLQSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049726664 1347991133 /nfs/dbraw/zinc/99/11/33/1347991133.db2.gz GGXPOPZCZZXZJC-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787096 1348021873 /nfs/dbraw/zinc/02/18/73/1348021873.db2.gz DZTGTTXQPRJQDM-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)[NH+](C)C ZINC001050075548 1348174260 /nfs/dbraw/zinc/17/42/60/1348174260.db2.gz JWNATXWSEGXQKK-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001050374016 1348242278 /nfs/dbraw/zinc/24/22/78/1348242278.db2.gz KDLXQNCSWLKYBN-YAEFEIELSA-N 2 0 349.563 3.029 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001050728195 1348339496 /nfs/dbraw/zinc/33/94/96/1348339496.db2.gz ODEXJHFLQAQFHD-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052369828 1348533923 /nfs/dbraw/zinc/53/39/23/1348533923.db2.gz VVAONPCMOJBIPT-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447031 1348543648 /nfs/dbraw/zinc/54/36/48/1348543648.db2.gz VVIOPJYBHKKEHO-RTBURBONSA-N 2 0 335.536 3.186 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052499217 1348559576 /nfs/dbraw/zinc/55/95/76/1348559576.db2.gz QHYRQGQUWHSZFU-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052506842 1348561554 /nfs/dbraw/zinc/56/15/54/1348561554.db2.gz MRUHDZJURKZZSA-WBVHZDCISA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515296 1348563770 /nfs/dbraw/zinc/56/37/70/1348563770.db2.gz CSZRPQITAQGNMS-MOPGFXCFSA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590537 1348588776 /nfs/dbraw/zinc/58/87/76/1348588776.db2.gz CINAYNQOPQZETH-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001052620705 1348597963 /nfs/dbraw/zinc/59/79/63/1348597963.db2.gz RVGANVIZQLKQOA-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052716304 1348646146 /nfs/dbraw/zinc/64/61/46/1348646146.db2.gz LHAHWFJBCQVDAU-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)CC2)CC1 ZINC001052821366 1348690162 /nfs/dbraw/zinc/69/01/62/1348690162.db2.gz YJDDJFPBNFSTGO-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052859591 1348705149 /nfs/dbraw/zinc/70/51/49/1348705149.db2.gz MZNJHIHOFBXVKS-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052955407 1348769633 /nfs/dbraw/zinc/76/96/33/1348769633.db2.gz FMZMCWWMKAKFTI-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044613 1348845215 /nfs/dbraw/zinc/84/52/15/1348845215.db2.gz QQBIFUFCIYJTJG-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044612 1348845289 /nfs/dbraw/zinc/84/52/89/1348845289.db2.gz QQBIFUFCIYJTJG-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087659 1348911591 /nfs/dbraw/zinc/91/15/91/1348911591.db2.gz MWSINEPBPBXSNQ-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001053090782 1348916387 /nfs/dbraw/zinc/91/63/87/1348916387.db2.gz IODSOGRNDZELKF-IEBWSBKVSA-N 2 0 340.471 3.061 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001053104760 1348941143 /nfs/dbraw/zinc/94/11/43/1348941143.db2.gz QIRRYHDIBOLVPQ-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174346 1349175119 /nfs/dbraw/zinc/17/51/19/1349175119.db2.gz NFHYKJDCSJYCAV-NRFANRHFSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209492 1349210692 /nfs/dbraw/zinc/21/06/92/1349210692.db2.gz REMXKGQSMJHSEW-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)cc2C1 ZINC001054268317 1349267147 /nfs/dbraw/zinc/26/71/47/1349267147.db2.gz UITMGYQOBHOWGB-HXUWFJFHSA-N 2 0 341.499 3.045 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054289808 1349294102 /nfs/dbraw/zinc/29/41/02/1349294102.db2.gz RQKDKXWUZOZJNS-XLIONFOSSA-N 2 0 343.515 3.147 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001080017657 1357459765 /nfs/dbraw/zinc/45/97/65/1357459765.db2.gz RMCDHPWCKDJEIT-MISYRCLQSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001054970657 1349531567 /nfs/dbraw/zinc/53/15/67/1349531567.db2.gz HDZMOZSODFXSMY-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329708 1357574933 /nfs/dbraw/zinc/57/49/33/1357574933.db2.gz MEGFXGNTZVGGKH-LCLWPZTBSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001080557041 1357678476 /nfs/dbraw/zinc/67/84/76/1357678476.db2.gz CISRHEDFSAGPFC-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CC1CCCC1 ZINC001071650329 1354827255 /nfs/dbraw/zinc/82/72/55/1354827255.db2.gz BCGLEZCXOWHOLL-QAPCUYQASA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CC1CCCC1 ZINC001071650330 1354827451 /nfs/dbraw/zinc/82/74/51/1354827451.db2.gz BCGLEZCXOWHOLL-YJBOKZPZSA-N 2 0 340.471 3.107 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001089220509 1360263653 /nfs/dbraw/zinc/26/36/53/1360263653.db2.gz OMOUGZWRSFXMIS-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1CC1CCC1 ZINC001071898196 1355013317 /nfs/dbraw/zinc/01/33/17/1355013317.db2.gz XATBZTBTOBPEAZ-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CCCCC3)C2)CC1 ZINC001071931482 1355030962 /nfs/dbraw/zinc/03/09/62/1355030962.db2.gz WCRZXGBAHADTNE-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001071954573 1355041189 /nfs/dbraw/zinc/04/11/89/1355041189.db2.gz QWGRFCWMSVFKCK-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001072081022 1355118573 /nfs/dbraw/zinc/11/85/73/1355118573.db2.gz FQWPZLNPHFQTEM-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1CC1CCC1 ZINC001072095407 1355126576 /nfs/dbraw/zinc/12/65/76/1355126576.db2.gz HUUGXXQMUNJZFD-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001072288596 1355222246 /nfs/dbraw/zinc/22/22/46/1355222246.db2.gz NYLIFNOOESTKJX-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001072297343 1355226855 /nfs/dbraw/zinc/22/68/55/1355226855.db2.gz IPLCHTJXFYBZNX-MJGOQNOKSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001072309949 1355232212 /nfs/dbraw/zinc/23/22/12/1355232212.db2.gz OUPFRYIWJDEPOS-DLBZAZTESA-N 2 0 337.552 3.122 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073126122 1355610442 /nfs/dbraw/zinc/61/04/42/1355610442.db2.gz WQDDLEVTZZAGFB-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001183200995 1387277681 /nfs/dbraw/zinc/27/76/81/1387277681.db2.gz VHXNGHLGYLRHTE-YLJYHZDGSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462639 1355796363 /nfs/dbraw/zinc/79/63/63/1355796363.db2.gz VPBXULIFTIMLFX-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C)c1ccccc1 ZINC001074853209 1356267456 /nfs/dbraw/zinc/26/74/56/1356267456.db2.gz OACGFHDARJCPGW-DBVUQKKJSA-N 2 0 343.515 3.059 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001076255137 1356528722 /nfs/dbraw/zinc/52/87/22/1356528722.db2.gz UHXXUCAATQWGRE-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107386 1363625761 /nfs/dbraw/zinc/62/57/61/1363625761.db2.gz YWHDZRSMIGYQBZ-YZBXUTEPSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082507198 1358052585 /nfs/dbraw/zinc/05/25/85/1358052585.db2.gz HEUDFXFOFKNWHM-MISYRCLQSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082596297 1358065830 /nfs/dbraw/zinc/06/58/30/1358065830.db2.gz DELUTRQLIQMRAL-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001082681627 1358071370 /nfs/dbraw/zinc/07/13/70/1358071370.db2.gz HAGGPVGSSQCSAF-JWHDQAAXSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC1CCC1 ZINC001082701044 1358078210 /nfs/dbraw/zinc/07/82/10/1358078210.db2.gz JTMYKWLWLYYZBN-AHRSYUTCSA-N 2 0 347.547 3.020 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001183509202 1387315358 /nfs/dbraw/zinc/31/53/58/1387315358.db2.gz DIBIZGLJNOIZKM-HFYBBEMZSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517090 1387316014 /nfs/dbraw/zinc/31/60/14/1387316014.db2.gz OOLPUQQWPMRTDG-WSTZPKSXSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C2)o1 ZINC001183562374 1387319084 /nfs/dbraw/zinc/31/90/84/1387319084.db2.gz GBOATYSSPFLKMT-OXQOHEQNSA-N 2 0 349.519 3.218 20 0 EGADRP O=C(N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001183576204 1387320363 /nfs/dbraw/zinc/32/03/63/1387320363.db2.gz GBRGOLBOYFAQBV-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014675 1358368119 /nfs/dbraw/zinc/36/81/19/1358368119.db2.gz VOBYMNYIWIIUHL-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199319 1358432270 /nfs/dbraw/zinc/43/22/70/1358432270.db2.gz GKDJFDXEQGKSRQ-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001085275267 1358449548 /nfs/dbraw/zinc/44/95/48/1358449548.db2.gz XSPSNXYIQRLPRQ-WOJBJXKFSA-N 2 0 348.450 3.165 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001085319545 1358464482 /nfs/dbraw/zinc/46/44/82/1358464482.db2.gz BTSIBORDJLLJAQ-NSISKUIASA-N 2 0 343.515 3.106 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCC2)CC1 ZINC001085352885 1358476399 /nfs/dbraw/zinc/47/63/99/1358476399.db2.gz BTNPQPMSJRTCQJ-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085389701 1358486643 /nfs/dbraw/zinc/48/66/43/1358486643.db2.gz RZNIMTZDFSCWNP-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085432574 1358498456 /nfs/dbraw/zinc/49/84/56/1358498456.db2.gz FNKMJOLZNSSDKF-KZNAEPCWSA-N 2 0 349.544 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085593139 1358620261 /nfs/dbraw/zinc/62/02/61/1358620261.db2.gz CGFQPSMYLIMFHG-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085628999 1358647014 /nfs/dbraw/zinc/64/70/14/1358647014.db2.gz JMYLREFEWFRGRF-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085639490 1358652972 /nfs/dbraw/zinc/65/29/72/1358652972.db2.gz PRVKDBBJHCMSRM-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782129 1358757094 /nfs/dbraw/zinc/75/70/94/1358757094.db2.gz NQDBPSRVDBZVIH-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001085783228 1358758133 /nfs/dbraw/zinc/75/81/33/1358758133.db2.gz QLLGYBBBYXMRHZ-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782570 1358758401 /nfs/dbraw/zinc/75/84/01/1358758401.db2.gz XUZJZRIHWVAADI-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001183827273 1387354832 /nfs/dbraw/zinc/35/48/32/1387354832.db2.gz XWDPKBJRGJMSGG-MRXNPFEDSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183827122 1387354997 /nfs/dbraw/zinc/35/49/97/1387354997.db2.gz WIVLYEDTSSGZNL-QGZVFWFLSA-N 2 0 337.552 3.410 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875764 1358840271 /nfs/dbraw/zinc/84/02/71/1358840271.db2.gz IVGGPESCBPQCAF-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001086119340 1359001698 /nfs/dbraw/zinc/00/16/98/1359001698.db2.gz KMEFKFOFDRQYFF-ZGXWSNOMSA-N 2 0 347.547 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086121825 1359002546 /nfs/dbraw/zinc/00/25/46/1359002546.db2.gz KZFFUFFZKIWTDI-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001086221683 1359031719 /nfs/dbraw/zinc/03/17/19/1359031719.db2.gz FMVYAJQJJNDVOM-WCIQWLHISA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086278335 1359051771 /nfs/dbraw/zinc/05/17/71/1359051771.db2.gz RIUKIIHSLVGXNX-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086382698 1359083517 /nfs/dbraw/zinc/08/35/17/1359083517.db2.gz SCYSEHWHHRHVGM-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086533779 1359134870 /nfs/dbraw/zinc/13/48/70/1359134870.db2.gz ZTEZMZGAKDMCFO-DSLXNQLJSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086694569 1359187255 /nfs/dbraw/zinc/18/72/55/1359187255.db2.gz YJLMGMXAVWDLJX-ZCNNSNEGSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086695229 1359187620 /nfs/dbraw/zinc/18/76/20/1359187620.db2.gz HWQGZCIQLLEICS-XUVXKRRUSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001086793930 1359202639 /nfs/dbraw/zinc/20/26/39/1359202639.db2.gz TYCLRYADJDCRDI-AZUAARDMSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926843 1359251834 /nfs/dbraw/zinc/25/18/34/1359251834.db2.gz LTMFMCJJLMQYEM-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086950792 1359271221 /nfs/dbraw/zinc/27/12/21/1359271221.db2.gz KZJMMXYVEXVNFF-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC2(CN1C(=O)C[NH+]1CCCC1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086957561 1359278896 /nfs/dbraw/zinc/27/88/96/1359278896.db2.gz QTAWHGBSNQLHGV-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001087213057 1359322831 /nfs/dbraw/zinc/32/28/31/1359322831.db2.gz CMLYCFAGXYDUQM-HBFSDRIKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CCC1 ZINC001087602275 1359550646 /nfs/dbraw/zinc/55/06/46/1359550646.db2.gz ICMGFTAGJMZIFF-GBESFXJTSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001087602299 1359550861 /nfs/dbraw/zinc/55/08/61/1359550861.db2.gz JJIWOBBXZUWWBF-ZCNNSNEGSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCC(C)(C)C ZINC001087642296 1359567439 /nfs/dbraw/zinc/56/74/39/1359567439.db2.gz GTMARUMEICAHCZ-ZWKOTPCHSA-N 2 0 342.487 3.353 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840550 1359674071 /nfs/dbraw/zinc/67/40/71/1359674071.db2.gz CHJKHFJIZXUJGT-NZSAHSFTSA-N 2 0 349.494 3.079 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088327572 1359831773 /nfs/dbraw/zinc/83/17/73/1359831773.db2.gz QHROJFNSBIVYPJ-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001088426288 1359894155 /nfs/dbraw/zinc/89/41/55/1359894155.db2.gz QFRQYROKWFRIJE-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001088567208 1359977186 /nfs/dbraw/zinc/97/71/86/1359977186.db2.gz ADNGRBRAHONTGU-WBVHZDCISA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088621360 1359993921 /nfs/dbraw/zinc/99/39/21/1359993921.db2.gz ASSFYSWDNNJWLL-RLLQIKCJSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088693184 1360015430 /nfs/dbraw/zinc/01/54/30/1360015430.db2.gz OHZVSDKHJICUKT-SQNIBIBYSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC001088899283 1360098385 /nfs/dbraw/zinc/09/83/85/1360098385.db2.gz WCDOEROTLFCMBE-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)[C@@H]1C ZINC001088972207 1360120151 /nfs/dbraw/zinc/12/01/51/1360120151.db2.gz VQEMQHSPFDQSOV-CEXWTWQISA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCC2)C1 ZINC001089218182 1360262877 /nfs/dbraw/zinc/26/28/77/1360262877.db2.gz WSXXXTOOVRAHOP-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001089260118 1360288898 /nfs/dbraw/zinc/28/88/98/1360288898.db2.gz YHGZKFCTRBPBDP-IBGZPJMESA-N 2 0 331.504 3.083 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334876 1360347982 /nfs/dbraw/zinc/34/79/82/1360347982.db2.gz KYICBGBLSKWIGN-MSOLQXFVSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089400655 1360400149 /nfs/dbraw/zinc/40/01/49/1360400149.db2.gz KEJYBYGNARXOQK-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089401935 1360401409 /nfs/dbraw/zinc/40/14/09/1360401409.db2.gz ZPPLCZXEFGIFOQ-OALUTQOASA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429705 1360421730 /nfs/dbraw/zinc/42/17/30/1360421730.db2.gz DTURPGUIWGTVGR-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)CC1 ZINC001089527388 1360490805 /nfs/dbraw/zinc/49/08/05/1360490805.db2.gz OETOMMLDWWISRI-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533898 1360493639 /nfs/dbraw/zinc/49/36/39/1360493639.db2.gz LCFDNGMTKNQGPE-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCCC1 ZINC001089615743 1360535948 /nfs/dbraw/zinc/53/59/48/1360535948.db2.gz BERDADAZIVNNJM-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089646027 1360557992 /nfs/dbraw/zinc/55/79/92/1360557992.db2.gz HBWKCTLCCXFHSI-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662840 1360573717 /nfs/dbraw/zinc/57/37/17/1360573717.db2.gz GKEULCREWHWIBE-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734458 1360639364 /nfs/dbraw/zinc/63/93/64/1360639364.db2.gz QTFLEPNGFAHSFN-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091112513 1360993914 /nfs/dbraw/zinc/99/39/14/1360993914.db2.gz VRTGUVKOGMWWAP-MHJFOBGBSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)C1CCCCC1 ZINC001184608702 1387499999 /nfs/dbraw/zinc/49/99/99/1387499999.db2.gz BWPIFMIZMURBNN-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC001323991982 1387504932 /nfs/dbraw/zinc/50/49/32/1387504932.db2.gz URARPPTWJTXGMX-FFZOFVMBSA-N 2 0 333.520 3.150 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184725284 1387521523 /nfs/dbraw/zinc/52/15/23/1387521523.db2.gz RSCYDHVAZJESIO-OALUTQOASA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379764 1361590259 /nfs/dbraw/zinc/59/02/59/1361590259.db2.gz INIZEARUMKINLN-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430289 1361799334 /nfs/dbraw/zinc/79/93/34/1361799334.db2.gz KCYDIISZZDORKS-QWFCFKBJSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458801 1361809557 /nfs/dbraw/zinc/80/95/57/1361809557.db2.gz ZJEXBOYMSDNPTR-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)[C@H](C)C2)c(C)n1 ZINC001184852226 1387549568 /nfs/dbraw/zinc/54/95/68/1387549568.db2.gz UOSZTAXIXAMTFK-CTOCQWKHSA-N 2 0 349.906 3.447 20 0 EGADRP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)[C@@H](C)C2)c(C)n1 ZINC001184852847 1387549606 /nfs/dbraw/zinc/54/96/06/1387549606.db2.gz XFPVSYVVSJZBNX-HNAYVOBHSA-N 2 0 343.515 3.495 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001095863418 1362258222 /nfs/dbraw/zinc/25/82/22/1362258222.db2.gz NDKMFUNYFQNBRJ-SQNIBIBYSA-N 2 0 347.547 3.019 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001184933588 1387564713 /nfs/dbraw/zinc/56/47/13/1387564713.db2.gz LOFCIZPUPLZATR-MGBKSAOESA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001096105326 1362384958 /nfs/dbraw/zinc/38/49/58/1362384958.db2.gz YOLGYICBCWXNIR-FUMNGEBKSA-N 2 0 347.547 3.161 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001096348222 1362469714 /nfs/dbraw/zinc/46/97/14/1362469714.db2.gz GGFFGCIRKJVXBV-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001324264719 1387575068 /nfs/dbraw/zinc/57/50/68/1387575068.db2.gz YRQKLTKNDGYRAO-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098461057 1363331972 /nfs/dbraw/zinc/33/19/72/1363331972.db2.gz OWGCYXGXFFXNHY-ZSXHRAQDSA-N 2 0 343.515 3.129 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(C)C)o1 ZINC001098483206 1363339405 /nfs/dbraw/zinc/33/94/05/1363339405.db2.gz PRNCSLIOZCUTJO-NXHRZFHOSA-N 2 0 347.503 3.113 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120283 1387622798 /nfs/dbraw/zinc/62/27/98/1387622798.db2.gz QCEHFAVILPQWDW-HHOLJBISSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875849 1363501168 /nfs/dbraw/zinc/50/11/68/1363501168.db2.gz WVJBELFEMANNFS-BJLQDIEVSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875043 1363501350 /nfs/dbraw/zinc/50/13/50/1363501350.db2.gz LYKVJZZOMXRLCB-ZJOUEHCJSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110287 1363627866 /nfs/dbraw/zinc/62/78/66/1363627866.db2.gz AIUBZEKDKUVDRL-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C)[NH+](C)C ZINC001099125538 1363637885 /nfs/dbraw/zinc/63/78/85/1363637885.db2.gz HUFCXPYDBWAZHN-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099130578 1363642615 /nfs/dbraw/zinc/64/26/15/1363642615.db2.gz PJDRBGJPNSBSHB-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099198829 1363687766 /nfs/dbraw/zinc/68/77/66/1363687766.db2.gz FZARVOZVOKHEOE-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP Cc1ccccc1C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099213365 1363694210 /nfs/dbraw/zinc/69/42/10/1363694210.db2.gz DGBSMOKQYPGTON-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC1CCC1 ZINC001099215477 1363696523 /nfs/dbraw/zinc/69/65/23/1363696523.db2.gz VCJQWKZDXFPDSN-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310907 1363743988 /nfs/dbraw/zinc/74/39/88/1363743988.db2.gz VTWKPJPEPLGDDW-ROUUACIJSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC(C)C ZINC001099316686 1363746625 /nfs/dbraw/zinc/74/66/25/1363746625.db2.gz ZXUQCLXUAHRQBK-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099335503 1363756823 /nfs/dbraw/zinc/75/68/23/1363756823.db2.gz WWJQVHNWPCLBJK-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)C[NH+]2CCCC2)[N@H+](CCC2CCCC2)C1 ZINC001099340195 1363760800 /nfs/dbraw/zinc/76/08/00/1363760800.db2.gz QPMILQGOMJUISI-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001099446297 1363801441 /nfs/dbraw/zinc/80/14/41/1363801441.db2.gz LJGQKFHYOZIKGN-CUWPLCDZSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC001100407764 1364104916 /nfs/dbraw/zinc/10/49/16/1364104916.db2.gz IQQXFGSJMGEBIH-KVZIAJEVSA-N 2 0 349.563 3.027 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100420484 1364108432 /nfs/dbraw/zinc/10/84/32/1364108432.db2.gz JVXVFGSRMMNUDO-MHJFOBGBSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001100731915 1364239315 /nfs/dbraw/zinc/23/93/15/1364239315.db2.gz LFTWZFTXEIPBNX-MUYFXNHWSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100764919 1364251894 /nfs/dbraw/zinc/25/18/94/1364251894.db2.gz KVFZIAGXZRNHEP-UHFFFAOYSA-N 2 0 349.563 3.483 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001100815399 1364275640 /nfs/dbraw/zinc/27/56/40/1364275640.db2.gz XGKNZMOWRKHHBZ-VOTSOKGWSA-N 2 0 349.563 3.338 20 0 EGADRP CC[C@@H]([NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001100831391 1364282720 /nfs/dbraw/zinc/28/27/20/1364282720.db2.gz UNWKOTDGPAWESK-XUJQIHCRSA-N 2 0 349.494 3.103 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001100856412 1364294208 /nfs/dbraw/zinc/29/42/08/1364294208.db2.gz CWJLLXRBHCVCNU-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001101037241 1364383886 /nfs/dbraw/zinc/38/38/86/1364383886.db2.gz DZBVSXDOTMKBIQ-ABHNRTSZSA-N 2 0 337.552 3.027 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC([NH2+]CC=C(C)C)C2)o1 ZINC001101059940 1364396028 /nfs/dbraw/zinc/39/60/28/1364396028.db2.gz BODCRIMMLBNBMM-UHFFFAOYSA-N 2 0 347.503 3.186 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101361982 1364528092 /nfs/dbraw/zinc/52/80/92/1364528092.db2.gz NLSYDCUKOBRKEN-GGPKGHCWSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185348104 1387689770 /nfs/dbraw/zinc/68/97/70/1387689770.db2.gz NULVWFDLKHIANC-AMQGLKLZSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001101561800 1364620528 /nfs/dbraw/zinc/62/05/28/1364620528.db2.gz UAEDUAQYZABJLQ-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]CC=C(C)C)CC1 ZINC001101591406 1364642557 /nfs/dbraw/zinc/64/25/57/1364642557.db2.gz YJWVUQOMMAPPRB-UHFFFAOYSA-N 2 0 337.552 3.149 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963176 1364792464 /nfs/dbraw/zinc/79/24/64/1364792464.db2.gz OYTKIWOQDNQRBR-QSMUSEHHSA-N 2 0 349.563 3.290 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@](C)(NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001324618587 1387702038 /nfs/dbraw/zinc/70/20/38/1387702038.db2.gz BJJWAWOVXHTDLR-UTKZUKDTSA-N 2 0 343.515 3.121 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357616 1365020746 /nfs/dbraw/zinc/02/07/46/1365020746.db2.gz CDWGPXTTXZHRJW-GUDVDZBRSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368523 1365026356 /nfs/dbraw/zinc/02/63/56/1365026356.db2.gz YBWFTGBJHGLHHE-WSTZPKSXSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102496162 1365086914 /nfs/dbraw/zinc/08/69/14/1365086914.db2.gz HMWGQADBWPIJKK-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596580 1365130054 /nfs/dbraw/zinc/13/00/54/1365130054.db2.gz NDSVSOBJSKPQAN-BGEOSOQGSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612855 1365137687 /nfs/dbraw/zinc/13/76/87/1365137687.db2.gz AFXSJEBRICPIQB-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987719 1365328687 /nfs/dbraw/zinc/32/86/87/1365328687.db2.gz OIDGFCFLAVTMGD-GUDVDZBRSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185515186 1387736263 /nfs/dbraw/zinc/73/62/63/1387736263.db2.gz CZXGSESQLZYUDL-DLBZAZTESA-N 2 0 346.519 3.026 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090557 1365376245 /nfs/dbraw/zinc/37/62/45/1365376245.db2.gz YFIMDVWEQUWKAJ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001103111880 1365386912 /nfs/dbraw/zinc/38/69/12/1365386912.db2.gz SIGGGUYGDUKENG-RLLQIKCJSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103149799 1365410849 /nfs/dbraw/zinc/41/08/49/1365410849.db2.gz MFHUECHVVIYZKT-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001103271536 1365465575 /nfs/dbraw/zinc/46/55/75/1365465575.db2.gz SSYCVHBSGDOVEG-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001103271353 1365465594 /nfs/dbraw/zinc/46/55/94/1365465594.db2.gz KGPMQYYOIWKJJV-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644655 1365697945 /nfs/dbraw/zinc/69/79/45/1365697945.db2.gz KEYIXFUHFGKWPV-AHSYYPKJSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644657 1365698169 /nfs/dbraw/zinc/69/81/69/1365698169.db2.gz KEYIXFUHFGKWPV-PFRNKHFKSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CCNC(=O)CCC[NH+]1CCCCC1 ZINC001103732483 1365754351 /nfs/dbraw/zinc/75/43/51/1365754351.db2.gz BXZBNVDONKTYEC-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755516 1365766240 /nfs/dbraw/zinc/76/62/40/1365766240.db2.gz KDNRGFMIQKWHIW-FAPWYTRCSA-N 2 0 337.552 3.147 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104215081 1365955070 /nfs/dbraw/zinc/95/50/70/1365955070.db2.gz LQIBHWPRKBBCAR-YTWUFAMPSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104265063 1365972456 /nfs/dbraw/zinc/97/24/56/1365972456.db2.gz RGTDJTIPTMEHRD-VJQBDMSCSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104678844 1366128393 /nfs/dbraw/zinc/12/83/93/1366128393.db2.gz DVLVESFCRGAOQQ-AHYCVCGYSA-N 2 0 349.563 3.149 20 0 EGADRP C[N@H+](CC(=O)NCC1(C)CC[NH+](CCCC2CCC2)CC1)C1CCC1 ZINC001324867353 1387796664 /nfs/dbraw/zinc/79/66/64/1387796664.db2.gz DFDFPEZHBSGJOC-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C(C)C)C2)o1 ZINC001105095274 1366323378 /nfs/dbraw/zinc/32/33/78/1366323378.db2.gz CBEXBWYEXPORGF-IAGOWNOFSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001105096891 1366325375 /nfs/dbraw/zinc/32/53/75/1366325375.db2.gz BQVFAKVKTMKKFN-WOJBJXKFSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517814 1366504955 /nfs/dbraw/zinc/50/49/55/1366504955.db2.gz KIEURNBPEQWQMR-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539817 1366518767 /nfs/dbraw/zinc/51/87/67/1366518767.db2.gz QHXIGDDKCKDTJO-GUDVDZBRSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1)C1CCC1 ZINC001105542000 1366520085 /nfs/dbraw/zinc/52/00/85/1366520085.db2.gz MYDQEZALMSVOQS-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105563546 1366533009 /nfs/dbraw/zinc/53/30/09/1366533009.db2.gz PBNBLYOQYKXRLX-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105564321 1366533212 /nfs/dbraw/zinc/53/32/12/1366533212.db2.gz ZTNXKORVTJWHGG-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574659 1366539671 /nfs/dbraw/zinc/53/96/71/1366539671.db2.gz DIYDAKQKNRTYME-GOSISDBHSA-N 2 0 347.547 3.023 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248774 1366633095 /nfs/dbraw/zinc/63/30/95/1366633095.db2.gz YRWBYVZQYHZMIZ-IVCWSTDESA-N 2 0 349.563 3.005 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106431380 1366692968 /nfs/dbraw/zinc/69/29/68/1366692968.db2.gz FLGINCJVUXOSBJ-SJLPKXTDSA-N 2 0 342.487 3.212 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106784584 1366797857 /nfs/dbraw/zinc/79/78/57/1366797857.db2.gz JTMPEOOIXQANAE-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439412 1366963639 /nfs/dbraw/zinc/96/36/39/1366963639.db2.gz ZZNQORQYQMJVJQ-GPSLIFSJSA-N 2 0 347.547 3.044 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2)[NH+](CC)CC ZINC001107544117 1367035137 /nfs/dbraw/zinc/03/51/37/1367035137.db2.gz MTENLBFUBLUPAV-QWFCFKBJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567100 1367047669 /nfs/dbraw/zinc/04/76/69/1367047669.db2.gz JTISQDSKHCCLEO-NLWGTHIKSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608545 1367070359 /nfs/dbraw/zinc/07/03/59/1367070359.db2.gz XWIYDHNORRAJPT-UYAOXDASSA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613939 1367073128 /nfs/dbraw/zinc/07/31/28/1367073128.db2.gz GXCFNKYUVYYVCI-NLWGTHIKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633120 1367084040 /nfs/dbraw/zinc/08/40/40/1367084040.db2.gz LAEYQGHGZMOREB-WIYYLYMNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001107646662 1367092333 /nfs/dbraw/zinc/09/23/33/1367092333.db2.gz PAPHAWWUGSEHJB-TZIWHRDSSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001109419665 1367113331 /nfs/dbraw/zinc/11/33/31/1367113331.db2.gz ZIEGHHTXOOPSHP-BDXSIMOUSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001109446476 1367126372 /nfs/dbraw/zinc/12/63/72/1367126372.db2.gz RAHLHTMPSKZJBM-HCXYKTFWSA-N 2 0 335.536 3.019 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212912 1367200610 /nfs/dbraw/zinc/20/06/10/1367200610.db2.gz OCONXJAOGOCCDM-FPMVPNIMSA-N 2 0 347.547 3.142 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001186075223 1387860566 /nfs/dbraw/zinc/86/05/66/1387860566.db2.gz PPSGLGLOQXLNSJ-CQQBRXBZSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190442871 1367266493 /nfs/dbraw/zinc/26/64/93/1367266493.db2.gz BYOXZGIGSPOENM-TUYSUELWSA-N 2 0 349.544 3.312 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001109674444 1367275524 /nfs/dbraw/zinc/27/55/24/1367275524.db2.gz JMBJHUKVLDDENE-JYBIWHBTSA-N 2 0 343.515 3.038 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001109686866 1367281454 /nfs/dbraw/zinc/28/14/54/1367281454.db2.gz MICSVPNXZPVPCM-FUMNGEBKSA-N 2 0 349.563 3.265 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688433 1367283197 /nfs/dbraw/zinc/28/31/97/1367283197.db2.gz OTEUBKTVYFEMJH-NHFNDCBGSA-N 2 0 335.536 3.041 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724353 1367293497 /nfs/dbraw/zinc/29/34/97/1367293497.db2.gz OFVLAXMIDGVBQW-SZXSIIMHSA-N 2 0 335.536 3.042 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890353 1367375597 /nfs/dbraw/zinc/37/55/97/1367375597.db2.gz PTXVVZHVQQMJGY-ZMBJWTFHSA-N 2 0 347.547 3.142 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890350 1367376271 /nfs/dbraw/zinc/37/62/71/1367376271.db2.gz PTXVVZHVQQMJGY-SFFCAUCYSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001190996227 1367397592 /nfs/dbraw/zinc/39/75/92/1367397592.db2.gz BBCCYYMUFMQUPH-MJGOQNOKSA-N 2 0 345.531 3.319 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351590 1367481893 /nfs/dbraw/zinc/48/18/93/1367481893.db2.gz JGOSKZVMGQMICN-VQIMIIECSA-N 2 0 342.487 3.163 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001110152669 1367527133 /nfs/dbraw/zinc/52/71/33/1367527133.db2.gz AMOCFFGJUWKCFD-AABGKKOBSA-N 2 0 345.531 3.084 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001110153597 1367527445 /nfs/dbraw/zinc/52/74/45/1367527445.db2.gz BUUFHGHRQXPSSL-AABGKKOBSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCCCC3)C2)CCCC1 ZINC001191561705 1367528678 /nfs/dbraw/zinc/52/86/78/1367528678.db2.gz RWLNZLGRQIMGEB-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161713 1367534776 /nfs/dbraw/zinc/53/47/76/1367534776.db2.gz QPZJFZCOPGRVHM-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719092 1367555163 /nfs/dbraw/zinc/55/51/63/1367555163.db2.gz HNIBEQJVCIUKKC-FHWLQOOXSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738818 1367567776 /nfs/dbraw/zinc/56/77/76/1367567776.db2.gz ISTXOFIVEAYVGE-FHWLQOOXSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789922 1367598271 /nfs/dbraw/zinc/59/82/71/1367598271.db2.gz VTKDGGOGPKTPBJ-SXLOBPIMSA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801002 1367603856 /nfs/dbraw/zinc/60/38/56/1367603856.db2.gz PXVPRMQLGJGCLR-GFQMDTTRSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804313 1367606948 /nfs/dbraw/zinc/60/69/48/1367606948.db2.gz NTMQRPHABGNXII-OTWHNJEPSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108827811 1367623287 /nfs/dbraw/zinc/62/32/87/1367623287.db2.gz BOUSZNOPXVJJOP-FHWLQOOXSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828391 1367623472 /nfs/dbraw/zinc/62/34/72/1367623472.db2.gz NYXJUQAIRKXCFL-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950003 1367647231 /nfs/dbraw/zinc/64/72/31/1367647231.db2.gz SEFOGZZNDSMZRT-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)[NH+](CC)CC ZINC001192325588 1367752089 /nfs/dbraw/zinc/75/20/89/1367752089.db2.gz MAYWGDZHOKSSAK-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192324512 1367752226 /nfs/dbraw/zinc/75/22/26/1367752226.db2.gz GSVJCQABTUDGDM-MCBHFWOFSA-N 2 0 337.552 3.386 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001192324872 1367752294 /nfs/dbraw/zinc/75/22/94/1367752294.db2.gz ISHCLQFENNUBSD-MSOLQXFVSA-N 2 0 339.568 3.466 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001192325697 1367752999 /nfs/dbraw/zinc/75/29/99/1367752999.db2.gz MPQQZSQPADFIQZ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001192366643 1367764031 /nfs/dbraw/zinc/76/40/31/1367764031.db2.gz APOCRQRXTABBPC-HXUWFJFHSA-N 2 0 345.531 3.127 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001192656407 1367843342 /nfs/dbraw/zinc/84/33/42/1367843342.db2.gz RZZTZJAZQFSNQW-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192656962 1367844206 /nfs/dbraw/zinc/84/42/06/1367844206.db2.gz VYCMVUUALMZVGK-RTBURBONSA-N 2 0 337.552 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110626717 1367874993 /nfs/dbraw/zinc/87/49/93/1367874993.db2.gz NIVKROSTLJLXHK-AKHDSKFASA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001110626447 1367875092 /nfs/dbraw/zinc/87/50/92/1367875092.db2.gz BGFZIEBSKOJVBL-CQELEZKQSA-N 2 0 347.547 3.329 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCCCC)C1 ZINC001192907208 1367901798 /nfs/dbraw/zinc/90/17/98/1367901798.db2.gz UIPAWGKKNNLRNE-SFHVURJKSA-N 2 0 325.541 3.221 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1)C(C)C ZINC001192917653 1367904370 /nfs/dbraw/zinc/90/43/70/1367904370.db2.gz PVNTUKRHCANMRJ-ZWKOTPCHSA-N 2 0 343.531 3.025 20 0 EGADRP CC[C@H]1C[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1O ZINC001193000314 1367920678 /nfs/dbraw/zinc/92/06/78/1367920678.db2.gz BOROACNQTYMHRC-SFTDATJTSA-N 2 0 330.516 3.034 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001110684800 1367926233 /nfs/dbraw/zinc/92/62/33/1367926233.db2.gz ZIEGHHTXOOPSHP-TVFCKZIOSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110753999 1367961166 /nfs/dbraw/zinc/96/11/66/1367961166.db2.gz DBROXUCZORGKKW-ZRNYENFQSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408264 1368019801 /nfs/dbraw/zinc/01/98/01/1368019801.db2.gz HDXGTSFUDAQSAD-TZIWHRDSSA-N 2 0 345.531 3.042 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571549 1368063796 /nfs/dbraw/zinc/06/37/96/1368063796.db2.gz TZJBECUZECLDJI-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193610456 1368073989 /nfs/dbraw/zinc/07/39/89/1368073989.db2.gz PHYXYTPLDWPAOR-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001193610464 1368074085 /nfs/dbraw/zinc/07/40/85/1368074085.db2.gz PIJZHRYTNWVUQN-SJORKVTESA-N 2 0 349.494 3.151 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018278 1368143655 /nfs/dbraw/zinc/14/36/55/1368143655.db2.gz PEBMBCSELYLKGK-XPISTHTLSA-N 2 0 335.536 3.185 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC1 ZINC001111180881 1368181778 /nfs/dbraw/zinc/18/17/78/1368181778.db2.gz SNZFXSNAZTWBJN-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001194274383 1368221390 /nfs/dbraw/zinc/22/13/90/1368221390.db2.gz HHPCYBIDYMAZHO-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186356361 1387928450 /nfs/dbraw/zinc/92/84/50/1387928450.db2.gz TVASPWOFOBGORX-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430059 1368260453 /nfs/dbraw/zinc/26/04/53/1368260453.db2.gz RCVJKWDLBHIJSA-HMECNJMJSA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC(C)C ZINC001111307201 1368261675 /nfs/dbraw/zinc/26/16/75/1368261675.db2.gz BTDDESISKHJWNP-MKXGPGLRSA-N 2 0 337.552 3.122 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428378 1387941203 /nfs/dbraw/zinc/94/12/03/1387941203.db2.gz QZKANSBOYZDKNI-CLUNNQHJSA-N 2 0 337.552 3.290 20 0 EGADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001111870038 1368516966 /nfs/dbraw/zinc/51/69/66/1368516966.db2.gz XVPLZRPDBFATGI-BJLQDIEVSA-N 2 0 335.536 3.044 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC001111909647 1368550561 /nfs/dbraw/zinc/55/05/61/1368550561.db2.gz HMOQREMDCAOWLS-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163667 1368559725 /nfs/dbraw/zinc/55/97/25/1368559725.db2.gz RJPAPBFNGGZEAO-YADGQWAMSA-N 2 0 347.547 3.284 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947674 1368570596 /nfs/dbraw/zinc/57/05/96/1368570596.db2.gz VBSUSYJDTFZUHJ-ICSRJNTNSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004472 1368608352 /nfs/dbraw/zinc/60/83/52/1368608352.db2.gz DPQYOBOFPQAXRR-CKXGLSNISA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020653 1368623167 /nfs/dbraw/zinc/62/31/67/1368623167.db2.gz RWUSIDSKCGBGHW-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330595 1368789143 /nfs/dbraw/zinc/78/91/43/1368789143.db2.gz CCUIWKLUMGJKTR-HMECNJMJSA-N 2 0 335.536 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448338 1368816969 /nfs/dbraw/zinc/81/69/69/1368816969.db2.gz VXCAMTFBJZQUMP-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396898 1368822324 /nfs/dbraw/zinc/82/23/24/1368822324.db2.gz JCCYIHOOYMGRDM-HOHWPDKRSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477962 1368822880 /nfs/dbraw/zinc/82/28/80/1368822880.db2.gz RAFLTARYFHCSEU-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1)[NH+](C)C ZINC001112425667 1368841690 /nfs/dbraw/zinc/84/16/90/1368841690.db2.gz WGPYDQJVCCKXAU-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001197659688 1368865703 /nfs/dbraw/zinc/86/57/03/1368865703.db2.gz PTQNTQUGLPPTAB-SREVYHEPSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197809513 1368903242 /nfs/dbraw/zinc/90/32/42/1368903242.db2.gz BRPXLAKXQFJGIL-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506700 1368906301 /nfs/dbraw/zinc/90/63/01/1368906301.db2.gz AKAWYOYIUQWCRV-RXVVDRJESA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001197899416 1368921631 /nfs/dbraw/zinc/92/16/31/1368921631.db2.gz XZOOXWTYFIBUHE-GOSISDBHSA-N 2 0 331.504 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001197922989 1368924682 /nfs/dbraw/zinc/92/46/82/1368924682.db2.gz YGCJVEZJITXADW-LJQANCHMSA-N 2 0 345.531 3.241 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001197922020 1368924769 /nfs/dbraw/zinc/92/47/69/1368924769.db2.gz HTCAGYXZHIKTRW-LJQANCHMSA-N 2 0 349.494 3.153 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001112580545 1368936008 /nfs/dbraw/zinc/93/60/08/1368936008.db2.gz SHAJBPQZVLWKAJ-FPOVZHCZSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001112590169 1368940026 /nfs/dbraw/zinc/94/00/26/1368940026.db2.gz HRRNUFAZRMPFQJ-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136416 1368966727 /nfs/dbraw/zinc/96/67/27/1368966727.db2.gz QZKQFQCAFDKQSX-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198259469 1368991436 /nfs/dbraw/zinc/99/14/36/1368991436.db2.gz MCTOWILEHUEIBI-OVKVCFKUSA-N 2 0 335.536 3.142 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH+]2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001198283288 1368997485 /nfs/dbraw/zinc/99/74/85/1368997485.db2.gz SPLRCLSIRFXWJF-LJQANCHMSA-N 2 0 345.531 3.239 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596823 1387979192 /nfs/dbraw/zinc/97/91/92/1387979192.db2.gz AUICMBGHYDPDLN-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605565 1387984104 /nfs/dbraw/zinc/98/41/04/1387984104.db2.gz PVDNJMMUXJDZJO-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001200335043 1369350396 /nfs/dbraw/zinc/35/03/96/1369350396.db2.gz XMECXZHVMHMFLN-PKOBYXMFSA-N 2 0 336.545 3.433 20 0 EGADRP CS[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001200335034 1369350697 /nfs/dbraw/zinc/35/06/97/1369350697.db2.gz XMECXZHVMHMFLN-HKUYNNGSSA-N 2 0 336.545 3.433 20 0 EGADRP S=C(NCC[NH+]1CCCCC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001200429985 1369365738 /nfs/dbraw/zinc/36/57/38/1369365738.db2.gz AZOQDZXDXWYCQC-UHFFFAOYSA-N 2 0 346.544 3.055 20 0 EGADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200578029 1369393873 /nfs/dbraw/zinc/39/38/73/1369393873.db2.gz KCSCODQETIAIJC-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200578562 1369394084 /nfs/dbraw/zinc/39/40/84/1369394084.db2.gz XFPZPWPCSJDLFX-SRXMEYSWSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113561761 1369494560 /nfs/dbraw/zinc/49/45/60/1369494560.db2.gz PRKBOOUEQZBDRI-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP C[NH+](C)Cc1cccc(-n2cc(N)c(=[NH2+])c(-c3cccc(F)c3)c2)c1 ZINC001201391737 1369533866 /nfs/dbraw/zinc/53/38/66/1369533866.db2.gz IPHIXYPBBFFWGK-UHFFFAOYSA-N 2 0 336.414 3.407 20 0 EGADRP Cc1nc2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)ccc2s1 ZINC001201659256 1369597691 /nfs/dbraw/zinc/59/76/91/1369597691.db2.gz UAYKXLCMHWBLCI-UHFFFAOYSA-N 2 0 339.468 3.495 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc4c(c3)C(=O)CCC4)cc[nH+]2)CC1 ZINC001201666423 1369601139 /nfs/dbraw/zinc/60/11/39/1369601139.db2.gz RIVYOUNYBNFYCH-UHFFFAOYSA-N 2 0 336.439 3.096 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc4ccc(O)cc43)cc[nH+]2)CC1 ZINC001201667650 1369601435 /nfs/dbraw/zinc/60/14/35/1369601435.db2.gz XRYRJOCSKRXYHP-UHFFFAOYSA-N 2 0 334.423 3.436 20 0 EGADRP CCOc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1F ZINC001201671567 1369602953 /nfs/dbraw/zinc/60/29/53/1369602953.db2.gz FYPOSXGDEJAHDI-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001201747058 1369615500 /nfs/dbraw/zinc/61/55/00/1369615500.db2.gz SYNFFYUQIIXRTG-AABGKKOBSA-N 2 0 345.535 3.033 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793427 1369624139 /nfs/dbraw/zinc/62/41/39/1369624139.db2.gz AWYOACYVYOZQAB-FBQMEGEOSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793425 1369624489 /nfs/dbraw/zinc/62/44/89/1369624489.db2.gz AWYOACYVYOZQAB-BBIZLLLXSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202139060 1369699088 /nfs/dbraw/zinc/69/90/88/1369699088.db2.gz LUQVLWKKMBCCEM-FQEVSTJZSA-N 2 0 343.515 3.327 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]CCC3CCCCCC3)CC2)CC1 ZINC001202224931 1369717831 /nfs/dbraw/zinc/71/78/31/1369717831.db2.gz MMHQJCKQOBQRMO-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1)[NH+](CC)CC ZINC001202474194 1369782991 /nfs/dbraw/zinc/78/29/91/1369782991.db2.gz XDTALPBNZWWDRP-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CC1CCC1)CC2 ZINC001202721950 1369866284 /nfs/dbraw/zinc/86/62/84/1369866284.db2.gz KOHPQAXPMSRELK-HXUWFJFHSA-N 2 0 343.515 3.185 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202978434 1369944283 /nfs/dbraw/zinc/94/42/83/1369944283.db2.gz HKPFYNZXBIWQHG-JKSUJKDBSA-N 2 0 349.544 3.240 20 0 EGADRP c1nc(-c2ccccc2)sc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC001325742715 1388038653 /nfs/dbraw/zinc/03/86/53/1388038653.db2.gz GTZYNSUWSNHQMO-RCCFBDPRSA-N 2 0 343.496 3.057 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1)c1ccccc1 ZINC001187034756 1388043201 /nfs/dbraw/zinc/04/32/01/1388043201.db2.gz NJCAEUSFIJXTJY-UXHICEINSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2)C1CCC1 ZINC001203044574 1369965305 /nfs/dbraw/zinc/96/53/05/1369965305.db2.gz MTYNZYLWGUVTQO-MOPGFXCFSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115170 1369988124 /nfs/dbraw/zinc/98/81/24/1369988124.db2.gz SOLQLZVDIIUIQR-ZWKOTPCHSA-N 2 0 347.547 3.212 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187018761 1388041919 /nfs/dbraw/zinc/04/19/19/1388041919.db2.gz WFZQFEIXTOAKOA-QULHZPMSSA-N 2 0 337.552 3.435 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC001203214748 1370028017 /nfs/dbraw/zinc/02/80/17/1370028017.db2.gz OHRLNOOUWUMIDQ-GOSISDBHSA-N 2 0 345.531 3.287 20 0 EGADRP CCc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)on1 ZINC001203219960 1370029723 /nfs/dbraw/zinc/02/97/23/1370029723.db2.gz PFEWZFIDIQDNJM-UHFFFAOYSA-N 2 0 340.471 3.120 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203255821 1370044063 /nfs/dbraw/zinc/04/40/63/1370044063.db2.gz FJBKHCANWPYPEC-ZWKOTPCHSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203283902 1370061968 /nfs/dbraw/zinc/06/19/68/1370061968.db2.gz WVSUDLMWXWOZOQ-LJQANCHMSA-N 2 0 337.552 3.412 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]CC(C)C)CC1 ZINC001203312908 1370078182 /nfs/dbraw/zinc/07/81/82/1370078182.db2.gz LCWHEZANZYYFIF-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330815 1370084888 /nfs/dbraw/zinc/08/48/88/1370084888.db2.gz UFEVPEJONSHFPN-CWHLKURSSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C23CCC3)CC1 ZINC001203334138 1370087770 /nfs/dbraw/zinc/08/77/70/1370087770.db2.gz YGKUXPPGJCUOSP-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(CC)cc2)CC1 ZINC001203443560 1370128752 /nfs/dbraw/zinc/12/87/52/1370128752.db2.gz WRXMVNZICQZVDM-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461955 1370135020 /nfs/dbraw/zinc/13/50/20/1370135020.db2.gz JITUXFNMYXWEAZ-RTBURBONSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203605253 1370185647 /nfs/dbraw/zinc/18/56/47/1370185647.db2.gz JXIDWJDLYXABOX-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC3=CCCCC3)C[C@H]21 ZINC001114984217 1370191323 /nfs/dbraw/zinc/19/13/23/1370191323.db2.gz AEOUXLZWXNIZAO-KXTWHKPSSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203633062 1370194594 /nfs/dbraw/zinc/19/45/94/1370194594.db2.gz WFIZXWWOQPXKBR-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651918 1370202370 /nfs/dbraw/zinc/20/23/70/1370202370.db2.gz QPDKEWJUZOIPOC-JKCVZHOFSA-N 2 0 335.536 3.092 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203741169 1370243789 /nfs/dbraw/zinc/24/37/89/1370243789.db2.gz GREPXORULUVLJK-QZTJIDSGSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203739591 1370243997 /nfs/dbraw/zinc/24/39/97/1370243997.db2.gz KHOUJEAOKHDTLL-UHFFFAOYSA-N 2 0 337.552 3.413 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203769946 1370257259 /nfs/dbraw/zinc/25/72/59/1370257259.db2.gz DAGUOOWKARDKHF-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP c1cc(Nc2ccc(C[NH+]3CCCC3)cc2)cc(N2CCOCC2)[nH+]1 ZINC001203786098 1370263390 /nfs/dbraw/zinc/26/33/90/1370263390.db2.gz LFNLSYYRQUKHBX-UHFFFAOYSA-N 2 0 338.455 3.258 20 0 EGADRP CCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC001203961566 1370331826 /nfs/dbraw/zinc/33/18/26/1370331826.db2.gz GKAUTAHFNZRPAG-RTBURBONSA-N 2 0 337.467 3.044 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)cc1 ZINC001204264909 1370426058 /nfs/dbraw/zinc/42/60/58/1370426058.db2.gz ZAOKMKCXIHWCQH-IBGZPJMESA-N 2 0 346.515 3.002 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)cc1 ZINC001204264378 1370426173 /nfs/dbraw/zinc/42/61/73/1370426173.db2.gz UXQBCEZIFCQEDO-HXUWFJFHSA-N 2 0 334.504 3.002 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001115450668 1370459336 /nfs/dbraw/zinc/45/93/36/1370459336.db2.gz JEEGUQUWOOXFSS-GOSISDBHSA-N 2 0 347.547 3.070 20 0 EGADRP Cc1nn(C)cc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001204581338 1370522916 /nfs/dbraw/zinc/52/29/16/1370522916.db2.gz WGCMPNYRUMUFTR-UHFFFAOYSA-N 2 0 344.528 3.278 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115535358 1370532242 /nfs/dbraw/zinc/53/22/42/1370532242.db2.gz SOHQQPBHLSCXFZ-BPLPYTOXSA-N 2 0 341.927 3.020 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540581 1370537117 /nfs/dbraw/zinc/53/71/17/1370537117.db2.gz TTYWUGFYACPHKO-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115559819 1370559905 /nfs/dbraw/zinc/55/99/05/1370559905.db2.gz KUMKZUBSTRCUPM-QGZVFWFLSA-N 2 0 341.515 3.041 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115579253 1370582712 /nfs/dbraw/zinc/58/27/12/1370582712.db2.gz DTYMXUOIKAYLSJ-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579435 1370583119 /nfs/dbraw/zinc/58/31/19/1370583119.db2.gz NYXORBXMFFSIOD-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCCC1 ZINC001115592042 1370592964 /nfs/dbraw/zinc/59/29/64/1370592964.db2.gz PYIDCLJYMWLKCC-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCCCC1 ZINC001115648586 1370637406 /nfs/dbraw/zinc/63/74/06/1370637406.db2.gz YTCRAEKTLLZTEO-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc3nc(Br)sc3c2)CC1 ZINC001205058890 1370639955 /nfs/dbraw/zinc/63/99/55/1370639955.db2.gz XIZCKYYTXBPNCT-UHFFFAOYSA-N 2 0 340.290 3.230 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)c2)cc1 ZINC001205219438 1370685200 /nfs/dbraw/zinc/68/52/00/1370685200.db2.gz CXXGHEMYWCJYTI-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(F)c(Oc3ccccc3)c2)CC1 ZINC001205240455 1370691912 /nfs/dbraw/zinc/69/19/12/1370691912.db2.gz KTKSZWJXWGNGDI-FQEVSTJZSA-N 2 0 344.430 3.294 20 0 EGADRP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]c3cc(Br)ncc23)CC1 ZINC001205280694 1370704485 /nfs/dbraw/zinc/70/44/85/1370704485.db2.gz GHDJYSCRILRTCQ-OAHLLOKOSA-N 2 0 337.265 3.029 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115730253 1370713255 /nfs/dbraw/zinc/71/32/55/1370713255.db2.gz GVLVTFFBHRBEES-PKOBYXMFSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1)[NH+](C)C ZINC001115734591 1370717257 /nfs/dbraw/zinc/71/72/57/1370717257.db2.gz UTHWFTMKKBFYSV-SFHVURJKSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115734318 1370717484 /nfs/dbraw/zinc/71/74/84/1370717484.db2.gz IEUYSQLSFBTSIP-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205519942 1370779532 /nfs/dbraw/zinc/77/95/32/1370779532.db2.gz MWPBKVVLKUDDTL-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001115806336 1370789534 /nfs/dbraw/zinc/78/95/34/1370789534.db2.gz UCIQSCGKMYDNHR-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001205570239 1370795407 /nfs/dbraw/zinc/79/54/07/1370795407.db2.gz HMIYPANBDNAZHD-ZDUSSCGKSA-N 2 0 339.764 3.407 20 0 EGADRP CCOC(OCC)c1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205578394 1370798112 /nfs/dbraw/zinc/79/81/12/1370798112.db2.gz AUKYONVXHJSYQJ-IBGZPJMESA-N 2 0 338.467 3.411 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001205578926 1370798435 /nfs/dbraw/zinc/79/84/35/1370798435.db2.gz KGOHSZOZTBEJPL-QGZVFWFLSA-N 2 0 336.842 3.179 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205591133 1370802916 /nfs/dbraw/zinc/80/29/16/1370802916.db2.gz FFLQGLRQFHNCSL-HXUWFJFHSA-N 2 0 343.446 3.410 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)c1 ZINC001205637808 1370821895 /nfs/dbraw/zinc/82/18/95/1370821895.db2.gz IXGLKSNPZVHBFE-HIFRSBDPSA-N 2 0 338.879 3.324 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC[C@H]1C[NH3+] ZINC001205638729 1370822541 /nfs/dbraw/zinc/82/25/41/1370822541.db2.gz RJIOKMYAZANBQL-OLZOCXBDSA-N 2 0 334.414 3.162 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205651913 1370828606 /nfs/dbraw/zinc/82/86/06/1370828606.db2.gz LQWVJQMBTKWTAG-GDBMZVCRSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC[C@H]1C[NH3+] ZINC001205652684 1370828822 /nfs/dbraw/zinc/82/88/22/1370828822.db2.gz QQBCYVDWPCRXTP-ZJUUUORDSA-N 2 0 342.274 3.023 20 0 EGADRP c1cc(-c2ccc(C[NH+]3CCC3)cc2)ccc1CC[NH+]1CCOCC1 ZINC001205673242 1370837512 /nfs/dbraw/zinc/83/75/12/1370837512.db2.gz WYFXJNRHJIGTPE-UHFFFAOYSA-N 2 0 336.479 3.434 20 0 EGADRP CC[NH+]1CCC(C[NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)CC1 ZINC001205751138 1370859878 /nfs/dbraw/zinc/85/98/78/1370859878.db2.gz WQWCMWBADPCXAL-UHFFFAOYSA-N 2 0 326.431 3.444 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC001116293476 1370880226 /nfs/dbraw/zinc/88/02/26/1370880226.db2.gz REUSFDFYUYGFIG-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@H]1C[N@H+](CCc2ccc(Br)cc2)CCC[C@@H]1C[NH3+] ZINC001205981904 1370929480 /nfs/dbraw/zinc/92/94/80/1370929480.db2.gz IWLQAUMFYIUIJD-DZGCQCFKSA-N 2 0 325.294 3.298 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205985311 1370930028 /nfs/dbraw/zinc/93/00/28/1370930028.db2.gz XBAXOVPOHCJRSH-APWZRJJASA-N 2 0 332.488 3.103 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(F)c2Br)CCC[C@@H]1C[NH3+] ZINC001205994083 1370932998 /nfs/dbraw/zinc/93/29/98/1370932998.db2.gz IYWXDASFQPOYOO-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC001206013825 1370938956 /nfs/dbraw/zinc/93/89/56/1370938956.db2.gz ULFIONGZOKNMRJ-OCCSQVGLSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206023197 1370941360 /nfs/dbraw/zinc/94/13/60/1370941360.db2.gz DOGONAJMVDRFTA-ZBFHGGJFSA-N 2 0 332.879 3.333 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Br ZINC001206025551 1370941768 /nfs/dbraw/zinc/94/17/68/1370941768.db2.gz OBXBDALFOSLRFF-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC(C[NH2+]CC3CCCCCC3)CC2)CC1 ZINC001206060999 1370950960 /nfs/dbraw/zinc/95/09/60/1370950960.db2.gz CCAIWTYFNCZUOC-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001206307525 1371016924 /nfs/dbraw/zinc/01/69/24/1371016924.db2.gz KHMZLKQPXBWQHM-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP Cc1nc(Br)ccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206319163 1371020210 /nfs/dbraw/zinc/02/02/10/1371020210.db2.gz YUPGBNBELGCNPV-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OC)c1Cl ZINC001206337152 1371026414 /nfs/dbraw/zinc/02/64/14/1371026414.db2.gz QWAZRQKHTZXVGS-QGZVFWFLSA-N 2 0 326.868 3.308 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC001117714878 1371067783 /nfs/dbraw/zinc/06/77/83/1371067783.db2.gz PGDFKDASJQOBSL-DFQSSKMNSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482693 1371068171 /nfs/dbraw/zinc/06/81/71/1371068171.db2.gz XQEIKMXYJBHCNX-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481744 1371068646 /nfs/dbraw/zinc/06/86/46/1371068646.db2.gz JWUYEUZRRALJCQ-PXPVJAHISA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481777 1371068727 /nfs/dbraw/zinc/06/87/27/1371068727.db2.gz KXJXNYXGGBORTL-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+]CCC1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001206499724 1371074090 /nfs/dbraw/zinc/07/40/90/1371074090.db2.gz ATQPWAQLUJMIDW-UHFFFAOYSA-N 2 0 325.294 3.443 20 0 EGADRP COc1ncccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001206575037 1371097481 /nfs/dbraw/zinc/09/74/81/1371097481.db2.gz DFCSWCAVTDQZPO-UHFFFAOYSA-N 2 0 341.455 3.171 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCCC[C@](C)(C[NH3+])C3)c[nH]c2c1 ZINC001206583694 1371100772 /nfs/dbraw/zinc/10/07/72/1371100772.db2.gz VFTVSDGUANEZJW-HXUWFJFHSA-N 2 0 343.471 3.296 20 0 EGADRP COC(=O)c1ccc2[nH]cc(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c2c1 ZINC001206590529 1371102377 /nfs/dbraw/zinc/10/23/77/1371102377.db2.gz NBEIHDSZKHSBRY-KRWDZBQOSA-N 2 0 343.471 3.307 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(F)c1F ZINC001206755372 1371154901 /nfs/dbraw/zinc/15/49/01/1371154901.db2.gz FDTGVLCGAJAYOS-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP CC(C)C[NH2+]CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001118273006 1371156220 /nfs/dbraw/zinc/15/62/20/1371156220.db2.gz OPPIFGUJVDCHRP-UHFFFAOYSA-N 2 0 335.517 3.059 20 0 EGADRP COc1ccc(-c2cc(C[NH+]3CCC(C[NH+](C)C)CC3)no2)cc1 ZINC001206827961 1371181575 /nfs/dbraw/zinc/18/15/75/1371181575.db2.gz VVUZSYBWWGKPMH-UHFFFAOYSA-N 2 0 329.444 3.124 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871217 1371198249 /nfs/dbraw/zinc/19/82/49/1371198249.db2.gz CJIUXYFFIUMVBY-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206890564 1371209422 /nfs/dbraw/zinc/20/94/22/1371209422.db2.gz XVSZTRKKDVYZIT-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001206890615 1371209712 /nfs/dbraw/zinc/20/97/12/1371209712.db2.gz ZYYGVKGPSMSKTK-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206949103 1371241144 /nfs/dbraw/zinc/24/11/44/1371241144.db2.gz QIVPDCHWYMZCMJ-QGZVFWFLSA-N 2 0 345.531 3.236 20 0 EGADRP C[N@@H+](Cc1cc[nH]c(=O)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207124056 1371301163 /nfs/dbraw/zinc/30/11/63/1371301163.db2.gz JKSOLDSXYVGIGN-UHFFFAOYSA-N 2 0 325.456 3.131 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207175809 1371322239 /nfs/dbraw/zinc/32/22/39/1371322239.db2.gz CVYOJRQXAJGPKZ-ICSRJNTNSA-N 2 0 349.950 3.403 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC001326236784 1388131626 /nfs/dbraw/zinc/13/16/26/1388131626.db2.gz NYPDYSKIKHQJDK-UHFFFAOYSA-N 2 0 340.414 3.262 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001207282284 1371350129 /nfs/dbraw/zinc/35/01/29/1371350129.db2.gz GKSJDNCLACCMKF-UHFFFAOYSA-N 2 0 329.532 3.097 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001207288956 1371351269 /nfs/dbraw/zinc/35/12/69/1371351269.db2.gz FJMKUIXTTXHLQX-SFTDATJTSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(C)O ZINC001207287644 1371351877 /nfs/dbraw/zinc/35/18/77/1371351877.db2.gz VJWKWYBOBKNBCV-RXVVDRJESA-N 2 0 330.516 3.382 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CCC4(C3)CCOCC4)CC2)cc1 ZINC001207290852 1371352619 /nfs/dbraw/zinc/35/26/19/1371352619.db2.gz HWKZAMATJUVXOE-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP CC(C)N1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC001207295106 1371354004 /nfs/dbraw/zinc/35/40/04/1371354004.db2.gz IXGKFBWUZFNNTR-IBGZPJMESA-N 2 0 329.532 3.313 20 0 EGADRP CC1(C)C[C@H](C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)CCO1 ZINC001207353201 1371370060 /nfs/dbraw/zinc/37/00/60/1371370060.db2.gz MEJRTWPDTJQLEP-LJQANCHMSA-N 2 0 338.536 3.016 20 0 EGADRP COc1cccc(OCC2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1 ZINC001207399897 1371384703 /nfs/dbraw/zinc/38/47/03/1371384703.db2.gz YNZORAXLNBIBRS-UHFFFAOYSA-N 2 0 332.488 3.128 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)CC2CC[NH+](C)CC2)CC1 ZINC001207399893 1371385028 /nfs/dbraw/zinc/38/50/28/1371385028.db2.gz YNIJXMMEQXPXHB-IYARVYRRSA-N 2 0 338.536 3.410 20 0 EGADRP C[NH+]1CCC(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001207399570 1371385269 /nfs/dbraw/zinc/38/52/69/1371385269.db2.gz MYWDNPRDCQQCSO-OAQYLSRUSA-N 2 0 327.516 3.023 20 0 EGADRP COC(=O)CCC[N@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207480228 1371408732 /nfs/dbraw/zinc/40/87/32/1371408732.db2.gz XMUWDTDIWHJMMN-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC1([NH2+]CCF)CCCCC1)c1ccccc1 ZINC001119993446 1371445819 /nfs/dbraw/zinc/44/58/19/1371445819.db2.gz KKOAJBJMSFRFFZ-GOSISDBHSA-N 2 0 349.494 3.058 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617038 1371453039 /nfs/dbraw/zinc/45/30/39/1371453039.db2.gz MPAJQMMSVVTFRE-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120021776 1371458361 /nfs/dbraw/zinc/45/83/61/1371458361.db2.gz SWCLVVAJFMWUJQ-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120033175 1371463810 /nfs/dbraw/zinc/46/38/10/1371463810.db2.gz WGTKZSYUCKDZCR-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207742363 1371490858 /nfs/dbraw/zinc/49/08/58/1371490858.db2.gz UEPMRULXWNEBGW-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001120158819 1371496667 /nfs/dbraw/zinc/49/66/67/1371496667.db2.gz DVTHVKLSWANJFY-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207950 1371505039 /nfs/dbraw/zinc/50/50/39/1371505039.db2.gz NNLIHLHUWDCLQT-UHFFFAOYSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001120208450 1371505231 /nfs/dbraw/zinc/50/52/31/1371505231.db2.gz ZXWWCBDGVNVVAP-GOSISDBHSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)N(C)Cc1nnc2n1CCC[N@@H+](C[C@@H](C)c1ccccc1)C2 ZINC001207904504 1371533594 /nfs/dbraw/zinc/53/35/94/1371533594.db2.gz GDIWNMQLRHWQRM-QGZVFWFLSA-N 2 0 341.503 3.128 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120391780 1371558293 /nfs/dbraw/zinc/55/82/93/1371558293.db2.gz GYDBSWPVELSTPF-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120412049 1371564610 /nfs/dbraw/zinc/56/46/10/1371564610.db2.gz DFECTULDUWZOOO-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208013892 1371568315 /nfs/dbraw/zinc/56/83/15/1371568315.db2.gz KWLBSNOMJFGVCL-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423884 1371571500 /nfs/dbraw/zinc/57/15/00/1371571500.db2.gz XRGHCVZNJUGWCR-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001120430562 1371574421 /nfs/dbraw/zinc/57/44/21/1371574421.db2.gz LTILGNSZZCWZRG-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048318 1371579716 /nfs/dbraw/zinc/57/97/16/1371579716.db2.gz GEIRGRMTYLXQKC-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP c1cnn(CCC[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208084569 1371591117 /nfs/dbraw/zinc/59/11/17/1371591117.db2.gz UXRWMVHGLAMMGX-OAQYLSRUSA-N 2 0 338.499 3.261 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001208111744 1371598986 /nfs/dbraw/zinc/59/89/86/1371598986.db2.gz NVJOBBCRAHGFSR-UHFFFAOYSA-N 2 0 326.484 3.339 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208114185 1371599935 /nfs/dbraw/zinc/59/99/35/1371599935.db2.gz TVAYGWLJYRNDTM-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP COC(=O)c1ccc([C@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)cc1 ZINC001208115146 1371600392 /nfs/dbraw/zinc/60/03/92/1371600392.db2.gz FSVZUTIOOQVAAY-GOSISDBHSA-N 2 0 330.472 3.342 20 0 EGADRP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001208226243 1371662945 /nfs/dbraw/zinc/66/29/45/1371662945.db2.gz NAMLUKXIAGFOMK-QGZVFWFLSA-N 2 0 344.499 3.402 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330952 1371720525 /nfs/dbraw/zinc/72/05/25/1371720525.db2.gz IDZKILKMQOKXPJ-HHOLJBISSA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331724 1371721599 /nfs/dbraw/zinc/72/15/99/1371721599.db2.gz WLNKNZKROQSYKO-MOPGFXCFSA-N 2 0 337.552 3.410 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208358698 1371732972 /nfs/dbraw/zinc/73/29/72/1371732972.db2.gz LZEONEUNWVTETH-WYNBNGFRSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411632 1371758429 /nfs/dbraw/zinc/75/84/29/1371758429.db2.gz ZIAKDBJDZBXFHY-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001208453388 1371771750 /nfs/dbraw/zinc/77/17/50/1371771750.db2.gz GCVIBTJPLJHZIX-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474166 1371781096 /nfs/dbraw/zinc/78/10/96/1371781096.db2.gz JIYNBMYIBFARLC-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC001208588696 1371829589 /nfs/dbraw/zinc/82/95/89/1371829589.db2.gz KPNKVKWRBBKURD-NHCUHLMSSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001208597096 1371834481 /nfs/dbraw/zinc/83/44/81/1371834481.db2.gz COBFLDZACYNVET-UHFFFAOYSA-N 2 0 335.923 3.190 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC001208612037 1371839550 /nfs/dbraw/zinc/83/95/50/1371839550.db2.gz ABKVHLWDDIAIJI-HXUWFJFHSA-N 2 0 337.511 3.299 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CCC[C@@]3(CC[NH+]3Cc3cccc(F)c3)C2)C1 ZINC001208609913 1371839570 /nfs/dbraw/zinc/83/95/70/1371839570.db2.gz XMGHONARGUQFOW-PZJWPPBQSA-N 2 0 345.506 3.208 20 0 EGADRP C[C@@H](C[NH+]1CCN(CC[NH+](C)C)CC1)c1cccc2ccccc21 ZINC001208705705 1371869672 /nfs/dbraw/zinc/86/96/72/1371869672.db2.gz KQLYTWSDGCMVFC-SFHVURJKSA-N 2 0 325.500 3.123 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)CCOCCOCc2ccccc2)CC1 ZINC001208747506 1371882655 /nfs/dbraw/zinc/88/26/55/1371882655.db2.gz IJMIGUVFYWBRDP-UHFFFAOYSA-N 2 0 348.531 3.272 20 0 EGADRP CC[C@H](CCC(=O)OC)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208795801 1371898878 /nfs/dbraw/zinc/89/88/78/1371898878.db2.gz GMARRRHUMVGLQO-UYAOXDASSA-N 2 0 346.515 3.420 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121247078 1371906890 /nfs/dbraw/zinc/90/68/90/1371906890.db2.gz XAJKQUIYDYNHEA-KZYAKZRFSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121247077 1371907232 /nfs/dbraw/zinc/90/72/32/1371907232.db2.gz XAJKQUIYDYNHEA-GUYFDXGHSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001121289584 1371923261 /nfs/dbraw/zinc/92/32/61/1371923261.db2.gz YQBPKQJIBKWWOA-JSMKSKOISA-N 2 0 347.547 3.066 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294982 1371926225 /nfs/dbraw/zinc/92/62/25/1371926225.db2.gz KHGYOIYMDABKHR-HXLZZXBHSA-N 2 0 347.547 3.234 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001121302329 1371929292 /nfs/dbraw/zinc/92/92/92/1371929292.db2.gz YBKFJBMTTQSYAY-HYMDDEBNSA-N 2 0 335.536 3.090 20 0 EGADRP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCC=CO2)CC3)c1 ZINC001208883117 1371930597 /nfs/dbraw/zinc/93/05/97/1371930597.db2.gz DXIBKVYPIGRDNT-LJQANCHMSA-N 2 0 327.472 3.062 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919116 1371944288 /nfs/dbraw/zinc/94/42/88/1371944288.db2.gz OXSNRHWQEGMPKF-MJRGOJFPSA-N 2 0 335.536 3.188 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001208934692 1371951628 /nfs/dbraw/zinc/95/16/28/1371951628.db2.gz FXKPVAJBAKKVKU-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208940053 1371953506 /nfs/dbraw/zinc/95/35/06/1371953506.db2.gz OEAZXZRZHYRNSK-SFTDATJTSA-N 2 0 328.500 3.401 20 0 EGADRP COC(=O)[C@]1(C)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939976 1371954131 /nfs/dbraw/zinc/95/41/31/1371954131.db2.gz MUJYCCOFZXEDCG-PZJWPPBQSA-N 2 0 344.499 3.174 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@@H](C)CC)C3)C1 ZINC001121616691 1372027122 /nfs/dbraw/zinc/02/71/22/1372027122.db2.gz OGKLLADMUAXPEG-YQTQZHKRSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209222567 1372042637 /nfs/dbraw/zinc/04/26/37/1372042637.db2.gz JWUBTSBODZKQIG-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](CCc1cc(F)c(F)cc1F)CC2 ZINC001209256844 1372051829 /nfs/dbraw/zinc/05/18/29/1372051829.db2.gz FSKVBZWQQXGERV-UHFFFAOYSA-N 2 0 326.406 3.454 20 0 EGADRP COCC[N@H+](CCCCOCc1ccccc1)C1CCN(C)CC1 ZINC001209259406 1372053004 /nfs/dbraw/zinc/05/30/04/1372053004.db2.gz VKJCFRDHBZURKR-UHFFFAOYSA-N 2 0 334.504 3.026 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001209315041 1372067204 /nfs/dbraw/zinc/06/72/04/1372067204.db2.gz NWYBRVRTYAIONI-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001209324685 1372069771 /nfs/dbraw/zinc/06/97/71/1372069771.db2.gz SWJFXOQPFHQQCN-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2)[NH+](CC)CC ZINC001121760982 1372072690 /nfs/dbraw/zinc/07/26/90/1372072690.db2.gz DRUWUTJMJNBXAY-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121853175 1372102479 /nfs/dbraw/zinc/10/24/79/1372102479.db2.gz APZXJLHVYFLPCE-IPHBXJNRSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001121895283 1372117054 /nfs/dbraw/zinc/11/70/54/1372117054.db2.gz DLAOSVXHWJHJEF-JSMKSKOISA-N 2 0 347.547 3.066 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2)C(C)C ZINC001121924320 1372124096 /nfs/dbraw/zinc/12/40/96/1372124096.db2.gz UUJALKWIOVBPRK-MBEFBZSESA-N 2 0 349.563 3.170 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2)C(C)C ZINC001121924023 1372124169 /nfs/dbraw/zinc/12/41/69/1372124169.db2.gz MOSNPYKQVCVQIR-QAELIBMJSA-N 2 0 337.552 3.026 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585164 1372143368 /nfs/dbraw/zinc/14/33/68/1372143368.db2.gz HEYRNNKSZTZOGG-QFOGUGEJSA-N 2 0 337.552 3.146 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)[NH+](CC)CC ZINC001209590041 1372145460 /nfs/dbraw/zinc/14/54/60/1372145460.db2.gz RTSLRBLPUSSOMJ-RTBURBONSA-N 2 0 349.494 3.027 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3n2CC[NH2+][C@@H]3C)c1 ZINC001121991598 1372148006 /nfs/dbraw/zinc/14/80/06/1372148006.db2.gz UYAHEKBMIOMWAU-OAHLLOKOSA-N 2 0 340.471 3.246 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001209660646 1372164050 /nfs/dbraw/zinc/16/40/50/1372164050.db2.gz RLFJZDVBXFDPIP-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122057153 1372164700 /nfs/dbraw/zinc/16/47/00/1372164700.db2.gz WGZYTHHASOSOKU-FSCGBILYSA-N 2 0 347.547 3.092 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001209691864 1372171770 /nfs/dbraw/zinc/17/17/70/1372171770.db2.gz ZFXMCGBNLKNTLF-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001122106251 1372175789 /nfs/dbraw/zinc/17/57/89/1372175789.db2.gz CBTMNOHYZYOTTL-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccn2cc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)nc12 ZINC001209739467 1372180568 /nfs/dbraw/zinc/18/05/68/1372180568.db2.gz NNEMJAUNDOXPFL-UHFFFAOYSA-N 2 0 326.488 3.197 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122237825 1372208990 /nfs/dbraw/zinc/20/89/90/1372208990.db2.gz PVMVUTOSMIAYHW-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]CCCCCF)C2)cc1 ZINC001210133368 1372278134 /nfs/dbraw/zinc/27/81/34/1372278134.db2.gz OBXHIOLBDFGPGF-LJQANCHMSA-N 2 0 349.494 3.082 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921799 1388190546 /nfs/dbraw/zinc/19/05/46/1388190546.db2.gz YBVPLJLNAZSLTL-VZSQWMKGSA-N 2 0 335.536 3.189 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210221282 1372296410 /nfs/dbraw/zinc/29/64/10/1372296410.db2.gz ZAWPGWJBCSMHRA-OALUTQOASA-N 2 0 345.531 3.287 20 0 EGADRP c1cncc(Oc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)c1 ZINC001210266335 1372310428 /nfs/dbraw/zinc/31/04/28/1372310428.db2.gz JQCYCQGEWDMDCS-UHFFFAOYSA-N 2 0 347.422 3.422 20 0 EGADRP COc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Cl)cc1C ZINC001210270722 1372312023 /nfs/dbraw/zinc/31/20/23/1372312023.db2.gz GSGKPYGLDMRZOZ-UHFFFAOYSA-N 2 0 332.835 3.205 20 0 EGADRP COc1cccc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cccc12 ZINC001210271595 1372312239 /nfs/dbraw/zinc/31/22/39/1372312239.db2.gz VXIYHWHRQLUAFA-UHFFFAOYSA-N 2 0 334.423 3.397 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210616056 1372392658 /nfs/dbraw/zinc/39/26/58/1372392658.db2.gz ZPHVLVNKPMBVLI-FPOVZHCZSA-N 2 0 343.515 3.010 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1)c1ccccc1 ZINC001210645795 1372399337 /nfs/dbraw/zinc/39/93/37/1372399337.db2.gz UPPSNDLULGPQPW-XTUKKMCOSA-N 2 0 349.906 3.013 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210689347 1372408171 /nfs/dbraw/zinc/40/81/71/1372408171.db2.gz BMVYOCYZEGCDIU-IRXDYDNUSA-N 2 0 346.519 3.024 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001210797523 1372427985 /nfs/dbraw/zinc/42/79/85/1372427985.db2.gz UCTVCAYWCNXOGN-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001210797520 1372428287 /nfs/dbraw/zinc/42/82/87/1372428287.db2.gz UCTVCAYWCNXOGN-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210812431 1372431432 /nfs/dbraw/zinc/43/14/32/1372431432.db2.gz ZYUQCIMQNMSYNP-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001211146862 1372490399 /nfs/dbraw/zinc/49/03/99/1372490399.db2.gz KDWUTECVLFHKHM-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001211249059 1372511911 /nfs/dbraw/zinc/51/19/11/1372511911.db2.gz LEOPUTFSTDVTFL-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211256515 1372513426 /nfs/dbraw/zinc/51/34/26/1372513426.db2.gz HXQHTUUSRXWNHN-PWBPZBFBSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001211268891 1372517071 /nfs/dbraw/zinc/51/70/71/1372517071.db2.gz LNXFJJZUNKSNQF-FQEVSTJZSA-N 2 0 345.531 3.231 20 0 EGADRP CCOc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)cc1Cl ZINC001212337876 1372690202 /nfs/dbraw/zinc/69/02/02/1372690202.db2.gz HTEHLYSHRLJWAP-INIZCTEOSA-N 2 0 338.839 3.092 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001326520146 1388227179 /nfs/dbraw/zinc/22/71/79/1388227179.db2.gz WRZNGLMQXZCEQH-IAGOWNOFSA-N 2 0 348.560 3.263 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3cn(-c4cc[nH+]cc4)cn3)n2)cc1 ZINC001214197718 1373022591 /nfs/dbraw/zinc/02/25/91/1373022591.db2.gz QXOWFNCVAYVPSZ-UHFFFAOYSA-N 2 0 346.394 3.046 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855908 1373130485 /nfs/dbraw/zinc/13/04/85/1373130485.db2.gz RGMCVBLWJYLENP-PDTMIUJASA-N 2 0 349.563 3.432 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855700 1373130552 /nfs/dbraw/zinc/13/05/52/1373130552.db2.gz LFEZCDYCJJCERA-VRVMHYDOSA-N 2 0 347.547 3.186 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214856051 1373130880 /nfs/dbraw/zinc/13/08/80/1373130880.db2.gz WFTQBFZNESDXBA-QRQLOZEOSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215778733 1373237436 /nfs/dbraw/zinc/23/74/36/1373237436.db2.gz ZLGWCFZNNGXXFB-GUDVDZBRSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cnn(C3CC[NH+](C)CC3)c2)c1F ZINC001216227516 1373285202 /nfs/dbraw/zinc/28/52/02/1373285202.db2.gz ASHMORJDDVGLTC-UHFFFAOYSA-N 2 0 331.439 3.094 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccccc2N2CC[NH+](C)CC2)c1F ZINC001216230971 1373286001 /nfs/dbraw/zinc/28/60/01/1373286001.db2.gz LJDRYDFGLAGBLI-UHFFFAOYSA-N 2 0 342.462 3.383 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844446 1373350120 /nfs/dbraw/zinc/35/01/20/1373350120.db2.gz BYFICKGLSRARTA-NCPJDUFYSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001129418620 1373381651 /nfs/dbraw/zinc/38/16/51/1373381651.db2.gz VYAPGIGQLVEPSC-PMACEKPBSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129423590 1373382649 /nfs/dbraw/zinc/38/26/49/1373382649.db2.gz WBTWBXZJLAXBDF-LJQANCHMSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429915 1373382986 /nfs/dbraw/zinc/38/29/86/1373382986.db2.gz MQAMNWWFBXJFIW-YLJYHZDGSA-N 2 0 343.515 3.169 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001129429500 1373383524 /nfs/dbraw/zinc/38/35/24/1373383524.db2.gz HGKAUMSBBPCYAZ-FXAWDEMLSA-N 2 0 343.515 3.169 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190544 1388261372 /nfs/dbraw/zinc/26/13/72/1388261372.db2.gz ZRBADQCOODMCGP-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001129840005 1373427831 /nfs/dbraw/zinc/42/78/31/1373427831.db2.gz DFUACGORBAONSO-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130189313 1373472103 /nfs/dbraw/zinc/47/21/03/1373472103.db2.gz NVOLXKFEMRXNSZ-AZUAARDMSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001130205587 1373473794 /nfs/dbraw/zinc/47/37/94/1373473794.db2.gz PWFAMUKBTDOWLC-CRAIPNDOSA-N 2 0 333.520 3.091 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001130303575 1373488121 /nfs/dbraw/zinc/48/81/21/1373488121.db2.gz DKKASSUWKTVKHL-QFBILLFUSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)C[C@@](C)([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217734440 1373497255 /nfs/dbraw/zinc/49/72/55/1373497255.db2.gz XPKVECJCGZBUOU-QFBILLFUSA-N 2 0 328.460 3.279 20 0 EGADRP CC[C@]1(c2cccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c2)CCCC[N@H+](C)C1 ZINC001218146689 1373569082 /nfs/dbraw/zinc/56/90/82/1373569082.db2.gz FXGFCYYIDSRUJJ-NLEAXPPASA-N 2 0 328.500 3.437 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3Oc2ccc3c(n2)CC[NH2+]C3)cc1 ZINC001218341816 1373600432 /nfs/dbraw/zinc/60/04/32/1373600432.db2.gz NQMRKZFPHZCFLQ-NGRWLJPCSA-N 2 0 349.478 3.017 20 0 EGADRP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC001218899185 1373665437 /nfs/dbraw/zinc/66/54/37/1373665437.db2.gz WZLZGBXGJXTCQS-MOPGFXCFSA-N 2 0 337.467 3.212 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2cc(F)ccc2c1 ZINC001218982485 1373674139 /nfs/dbraw/zinc/67/41/39/1373674139.db2.gz QWXYBDCZGQMZIT-SFHVURJKSA-N 2 0 331.435 3.413 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001218996698 1373676824 /nfs/dbraw/zinc/67/68/24/1373676824.db2.gz MWXXOESBIDTKEW-RLLQIKCJSA-N 2 0 335.451 3.053 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c2ccccc12 ZINC001219260180 1373696848 /nfs/dbraw/zinc/69/68/48/1373696848.db2.gz KIQBRWWWWDIZOU-KRWDZBQOSA-N 2 0 331.435 3.413 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001219954123 1373741457 /nfs/dbraw/zinc/74/14/57/1373741457.db2.gz DGPPBXMZWLVIFE-VQTJNVASSA-N 2 0 343.515 3.298 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221203746 1373768422 /nfs/dbraw/zinc/76/84/22/1373768422.db2.gz ALQTWENIBRLZLW-JVPBZIDWSA-N 2 0 349.494 3.136 20 0 EGADRP CC(C)Oc1cc(C[NH+]2CCC3(C[NH2+]C3)CC2)cc(OC(C)C)c1 ZINC001222207689 1373820834 /nfs/dbraw/zinc/82/08/34/1373820834.db2.gz CYNISSYYAGAYKB-UHFFFAOYSA-N 2 0 332.488 3.446 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CC/C=C/c2ccccc2)CCCC1 ZINC001131840420 1373833306 /nfs/dbraw/zinc/83/33/06/1373833306.db2.gz KBAMQEIKRJYCCY-WUXMJOGZSA-N 2 0 343.515 3.060 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3Cc4ccccc4[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001222557585 1373853713 /nfs/dbraw/zinc/85/37/13/1373853713.db2.gz BPFYURRBIMMJIW-OIBXWCBGSA-N 2 0 347.506 3.080 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCc3c[nH]cn3)CCC2)C1 ZINC001326835198 1388325880 /nfs/dbraw/zinc/32/58/80/1388325880.db2.gz SAHDQWWGNSBOHZ-SJORKVTESA-N 2 0 346.519 3.187 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](CC2CCCCCC2)CC1 ZINC001225578221 1375126762 /nfs/dbraw/zinc/12/67/62/1375126762.db2.gz SGYIAYWKBIHGRC-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC1CCCC1 ZINC001132107542 1375151379 /nfs/dbraw/zinc/15/13/79/1375151379.db2.gz ZZXORDRBPMFWTM-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132123910 1375159290 /nfs/dbraw/zinc/15/92/90/1375159290.db2.gz LHVHTYFBUAWAEE-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140819 1375167493 /nfs/dbraw/zinc/16/74/93/1375167493.db2.gz LELLGYQIMQWKGC-IAGOWNOFSA-N 2 0 337.552 3.409 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001226267204 1375230404 /nfs/dbraw/zinc/23/04/04/1375230404.db2.gz DOVDJIUYCXLJDO-QZTJIDSGSA-N 2 0 337.552 3.458 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCCC(C)(C)C ZINC001132266031 1375255247 /nfs/dbraw/zinc/25/52/47/1375255247.db2.gz VCMBYPKWDBRYAV-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCCC(C)(C)C ZINC001132269280 1375258044 /nfs/dbraw/zinc/25/80/44/1375258044.db2.gz IFFREDJZGLAXEK-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)(C)c1ccc(C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001132283866 1375267693 /nfs/dbraw/zinc/26/76/93/1375267693.db2.gz MKEVZONLQGYAJK-UHFFFAOYSA-N 2 0 345.531 3.064 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CC1=CCCCC1 ZINC001132311313 1375289391 /nfs/dbraw/zinc/28/93/91/1375289391.db2.gz SRILVZUORMDGBA-IEBWSBKVSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CCCCCF ZINC001132311703 1375289849 /nfs/dbraw/zinc/28/98/49/1375289849.db2.gz WYYUCYWBCLMONO-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001226613515 1375292502 /nfs/dbraw/zinc/29/25/02/1375292502.db2.gz JTOMTKXXLYJTPL-GJGSYKPXSA-N 2 0 335.536 3.234 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340052 1375320428 /nfs/dbraw/zinc/32/04/28/1375320428.db2.gz MFPUJHMFWFZXIH-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001226765357 1375328626 /nfs/dbraw/zinc/32/86/26/1375328626.db2.gz BVHHZSOGVJRXEE-AQNXPRMDSA-N 2 0 347.547 3.377 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCC2)CCC1 ZINC001226767129 1375329084 /nfs/dbraw/zinc/32/90/84/1375329084.db2.gz RNHZZYVWKFCKKN-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CC2)C1 ZINC001132365637 1375330342 /nfs/dbraw/zinc/33/03/42/1375330342.db2.gz NGXJNFCTBUFVSZ-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC(C)C)C1 ZINC001132366244 1375331934 /nfs/dbraw/zinc/33/19/34/1375331934.db2.gz YYMRJQRTEGHZGE-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1)C1CC1 ZINC001226801123 1375338183 /nfs/dbraw/zinc/33/81/83/1375338183.db2.gz SMOIHNRFAPKCSH-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132376953 1375339047 /nfs/dbraw/zinc/33/90/47/1375339047.db2.gz RZPDRKJLTBLLRW-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380231 1375339992 /nfs/dbraw/zinc/33/99/92/1375339992.db2.gz HDEPOSIDSLWTDM-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380230 1375341249 /nfs/dbraw/zinc/34/12/49/1375341249.db2.gz HDEPOSIDSLWTDM-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001226889686 1375353114 /nfs/dbraw/zinc/35/31/14/1375353114.db2.gz AHNLFLSDGVORQT-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCF)C1 ZINC001132419970 1375368043 /nfs/dbraw/zinc/36/80/43/1375368043.db2.gz KZVXYOUXVINKPL-MSOLQXFVSA-N 2 0 343.531 3.217 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132493175 1375423730 /nfs/dbraw/zinc/42/37/30/1375423730.db2.gz JXEVWXCCGBQKQP-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494541 1375424280 /nfs/dbraw/zinc/42/42/80/1375424280.db2.gz UGYUMYKSDCDFPE-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494547 1375424663 /nfs/dbraw/zinc/42/46/63/1375424663.db2.gz UGYUMYKSDCDFPE-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519472 1375436713 /nfs/dbraw/zinc/43/67/13/1375436713.db2.gz ZJRDHWWFOAVEAD-NYQZOWANSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132519397 1375437295 /nfs/dbraw/zinc/43/72/95/1375437295.db2.gz YDKXDDZYFAZZAH-IAGOWNOFSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCC1CCCC1 ZINC001132524347 1375440957 /nfs/dbraw/zinc/44/09/57/1375440957.db2.gz GFFOENONXDZFIU-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703171 1375463594 /nfs/dbraw/zinc/46/35/94/1375463594.db2.gz DASLPSRCOCXOQA-AQNXPRMDSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227798454 1375477181 /nfs/dbraw/zinc/47/71/81/1375477181.db2.gz YYFBMIJAKPSWQQ-IBGZPJMESA-N 2 0 343.515 3.203 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001228040430 1375509335 /nfs/dbraw/zinc/50/93/35/1375509335.db2.gz YPLDQWFVQVVWKS-HNNXBMFYSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001132739835 1375539839 /nfs/dbraw/zinc/53/98/39/1375539839.db2.gz WEESZDJOIYSFMX-MOPGFXCFSA-N 2 0 345.531 3.192 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C)CC(C)(C)C ZINC001228623782 1375620114 /nfs/dbraw/zinc/62/01/14/1375620114.db2.gz LESHFNQZPLNJDP-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132925675 1375648754 /nfs/dbraw/zinc/64/87/54/1375648754.db2.gz ZRYJOKPRDAGYBX-OALUTQOASA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950821 1375667712 /nfs/dbraw/zinc/66/77/12/1375667712.db2.gz QTUGFVMCQBPWCL-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CCC[N@H+](C)C4)cc32)CC1 ZINC001228823596 1375687638 /nfs/dbraw/zinc/68/76/38/1375687638.db2.gz NBXGGXDHJQLOQI-QGZVFWFLSA-N 2 0 327.472 3.450 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)[NH+]1CCCCCC1 ZINC001228932792 1375720183 /nfs/dbraw/zinc/72/01/83/1375720183.db2.gz WKEVAMMKKZGNDB-UYDKOKGTSA-N 2 0 341.927 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229058775 1375753790 /nfs/dbraw/zinc/75/37/90/1375753790.db2.gz VUNWCNBMDHGGAT-WOJBJXKFSA-N 2 0 345.531 3.305 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC001229231684 1375791400 /nfs/dbraw/zinc/79/14/00/1375791400.db2.gz SVHGIAKBRDZHBV-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001327145689 1388403451 /nfs/dbraw/zinc/40/34/51/1388403451.db2.gz FJOCODNKKUHHTF-VQTJNVASSA-N 2 0 345.531 3.052 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001229525191 1375851769 /nfs/dbraw/zinc/85/17/69/1375851769.db2.gz YGOXLHBHJPNBEP-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133262003 1375877052 /nfs/dbraw/zinc/87/70/52/1375877052.db2.gz FIBGKJNGGJCKOU-OALUTQOASA-N 2 0 339.568 3.373 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C)C1 ZINC001229692168 1375877604 /nfs/dbraw/zinc/87/76/04/1375877604.db2.gz FMXKJQHGCQHHOK-KZNAEPCWSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133274359 1375888985 /nfs/dbraw/zinc/88/89/85/1375888985.db2.gz HACIIGAHODIGTN-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133341830 1375933187 /nfs/dbraw/zinc/93/31/87/1375933187.db2.gz KRPVXXYHKNDCNE-IEBWSBKVSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001230284366 1375983982 /nfs/dbraw/zinc/98/39/82/1375983982.db2.gz AVRJCZDYLRDYQP-RTBURBONSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230288679 1375985521 /nfs/dbraw/zinc/98/55/21/1375985521.db2.gz UVYXFMPEJXACAH-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)CC(=O)N(CC[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC001133407293 1375991181 /nfs/dbraw/zinc/99/11/81/1375991181.db2.gz BOHBKNOBWPPRQU-UHFFFAOYSA-N 2 0 339.911 3.008 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230377922 1376010783 /nfs/dbraw/zinc/01/07/83/1376010783.db2.gz DDGGVKUUZKQJAH-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001230378904 1376011055 /nfs/dbraw/zinc/01/10/55/1376011055.db2.gz WMWPUFOFBZTRAD-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230537431 1376061025 /nfs/dbraw/zinc/06/10/25/1376061025.db2.gz GKZAMOVHULPOEG-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611081 1376101343 /nfs/dbraw/zinc/10/13/43/1376101343.db2.gz LOMRJDLJOCYLBP-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001230617883 1376103880 /nfs/dbraw/zinc/10/38/80/1376103880.db2.gz HJIOBPMKXRPPGX-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](CC)CC ZINC001133684729 1376153428 /nfs/dbraw/zinc/15/34/28/1376153428.db2.gz MDMBJXKDXNLOCN-LJQANCHMSA-N 2 0 347.547 3.310 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001133856931 1376236009 /nfs/dbraw/zinc/23/60/09/1376236009.db2.gz WCVZCKCNCMGWGK-YLJYHZDGSA-N 2 0 349.494 3.056 20 0 EGADRP CCOc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001231658104 1376297590 /nfs/dbraw/zinc/29/75/90/1376297590.db2.gz UGQXDUZRUHLVFX-FQEVSTJZSA-N 2 0 339.483 3.434 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012243 1376382014 /nfs/dbraw/zinc/38/20/14/1376382014.db2.gz WPALBJNCNWDCHT-OAHLLOKOSA-N 2 0 344.459 3.442 20 0 EGADRP O=C1CC2(CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)c2ccccc2N1 ZINC001232014994 1376383576 /nfs/dbraw/zinc/38/35/76/1376383576.db2.gz QIRGWFWLOQZEFT-UHFFFAOYSA-N 2 0 346.434 3.439 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)c1sccc1C[NH+](C)C ZINC001134518664 1376574417 /nfs/dbraw/zinc/57/44/17/1376574417.db2.gz GFFKISAVLXZRAB-ZIAGYGMSSA-N 2 0 337.533 3.096 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1sccc1C[NH+](C)C ZINC001134518663 1376574486 /nfs/dbraw/zinc/57/44/86/1376574486.db2.gz GFFKISAVLXZRAB-UONOGXRCSA-N 2 0 337.533 3.096 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)c(F)c1F ZINC001233210379 1376586652 /nfs/dbraw/zinc/58/66/52/1376586652.db2.gz GSJIITGPPGAQMA-UHFFFAOYSA-N 2 0 347.881 3.324 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584236 1376608077 /nfs/dbraw/zinc/60/80/77/1376608077.db2.gz SDZCFAAPQDBVHD-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134608399 1376623440 /nfs/dbraw/zinc/62/34/40/1376623440.db2.gz VJUUCHDHKWARJF-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP COc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(Cl)c1O ZINC001233401510 1376640405 /nfs/dbraw/zinc/64/04/05/1376640405.db2.gz CNZDOMDCBCQFIO-UHFFFAOYSA-N 2 0 338.879 3.362 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730038 1376682385 /nfs/dbraw/zinc/68/23/85/1376682385.db2.gz SCBYYZQNLIVDHB-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730227 1376683048 /nfs/dbraw/zinc/68/30/48/1376683048.db2.gz USXDGWMWIUBRGZ-VGRIIWOTSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001134750203 1376698735 /nfs/dbraw/zinc/69/87/35/1376698735.db2.gz PIBAQVNIASJTNZ-IBGZPJMESA-N 2 0 345.531 3.082 20 0 EGADRP Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CCCC2)ccc2c[nH+]cn21 ZINC001134809762 1376736922 /nfs/dbraw/zinc/73/69/22/1376736922.db2.gz RZTPFKAXXLMRNZ-HUUCEWRRSA-N 2 0 342.487 3.319 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCCCC1 ZINC001134858675 1376758275 /nfs/dbraw/zinc/75/82/75/1376758275.db2.gz XPUKVBHNTFDNCN-SJORKVTESA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858787 1376758345 /nfs/dbraw/zinc/75/83/45/1376758345.db2.gz YSUYZWOQSAFTEM-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858785 1376758534 /nfs/dbraw/zinc/75/85/34/1376758534.db2.gz YSUYZWOQSAFTEM-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1)[NH2+]CC1=CCCCC1 ZINC001134888003 1376768760 /nfs/dbraw/zinc/76/87/60/1376768760.db2.gz JJURKUWOXAUUKC-CVEARBPZSA-N 2 0 340.471 3.321 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323912 1376811628 /nfs/dbraw/zinc/81/16/28/1376811628.db2.gz WDCXCKFHMPLBIT-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP Fc1ccc(-c2ccccc2C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235036278 1376835512 /nfs/dbraw/zinc/83/55/12/1376835512.db2.gz KQIQCUYQRNGXPM-WIYYLYMNSA-N 2 0 340.442 3.303 20 0 EGADRP Cc1c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cccc1-c1ccccc1 ZINC001235042649 1376839098 /nfs/dbraw/zinc/83/90/98/1376839098.db2.gz ZKOSOBQYEJIWAF-IFMALSPDSA-N 2 0 336.479 3.472 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190982 1376857705 /nfs/dbraw/zinc/85/77/05/1376857705.db2.gz NELDVDLNPARJSX-UHFFFAOYSA-N 3 0 345.531 3.125 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427606 1376870450 /nfs/dbraw/zinc/87/04/50/1376870450.db2.gz SJIQPOSJXSMXQD-ROUUACIJSA-N 2 0 339.483 3.455 20 0 EGADRP COc1ccc2nccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235427648 1376870599 /nfs/dbraw/zinc/87/05/99/1376870599.db2.gz MTBXDXNYWQGGRS-IRXDYDNUSA-N 2 0 339.483 3.455 20 0 EGADRP COc1cccc2[nH]cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC001235428996 1376870860 /nfs/dbraw/zinc/87/08/60/1376870860.db2.gz SJEUMFDTYZHYHJ-HZPDHXFCSA-N 2 0 327.472 3.388 20 0 EGADRP COc1ncc(C2CC2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430898 1376872300 /nfs/dbraw/zinc/87/23/00/1376872300.db2.gz YKNUQYNDFFGUKH-IRXDYDNUSA-N 2 0 329.488 3.179 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076933 1376881728 /nfs/dbraw/zinc/88/17/28/1376881728.db2.gz JGCRCPJMLXDDNS-DLBZAZTESA-N 2 0 325.541 3.314 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135078127 1376883796 /nfs/dbraw/zinc/88/37/96/1376883796.db2.gz ZFRLSKBQBCYJFH-MOJJGNAPSA-N 2 0 343.943 3.266 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081716 1376885497 /nfs/dbraw/zinc/88/54/97/1376885497.db2.gz QWVIRHBPEIQFFW-IRXDYDNUSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101010 1376897936 /nfs/dbraw/zinc/89/79/36/1376897936.db2.gz HSRZLYJIQJOPKN-BMEWNCGWSA-N 2 0 343.943 3.124 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102169 1376899596 /nfs/dbraw/zinc/89/95/96/1376899596.db2.gz XXDFCDIGQCCLGB-IAGOWNOFSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102091 1376900161 /nfs/dbraw/zinc/90/01/61/1376900161.db2.gz WTOCYCLQAOXSAF-ZWKOTPCHSA-N 2 0 347.547 3.323 20 0 EGADRP Fc1ccc(CN2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001235884702 1376909423 /nfs/dbraw/zinc/90/94/23/1376909423.db2.gz LVGHKHCUHPBYHZ-UHFFFAOYSA-N 2 0 339.458 3.137 20 0 EGADRP Brc1ccc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC001235882193 1376909891 /nfs/dbraw/zinc/90/98/91/1376909891.db2.gz KXMUPSBWFXCHNX-QGZVFWFLSA-N 2 0 337.305 3.456 20 0 EGADRP Fc1cccc(Cl)c1CC1CC[NH+](CC[C@H]2C[NH2+]CCO2)CC1 ZINC001235896982 1376912900 /nfs/dbraw/zinc/91/29/00/1376912900.db2.gz JGQJFZGSOQPXOU-HNNXBMFYSA-N 2 0 340.870 3.112 20 0 EGADRP Cc1csc2sc(C[N@@H+]3CCC[C@H](N4CC([NH3+])C4)C3)c(C)c12 ZINC001236077481 1376932464 /nfs/dbraw/zinc/93/24/64/1376932464.db2.gz IDWRMTZPQPDWEA-AWEZNQCLSA-N 2 0 335.542 3.187 20 0 EGADRP C[C@H](C[NH+]1CCC(N2CC[NH2+]CC2)CC1)c1cccc2ccccc21 ZINC001236129791 1376934481 /nfs/dbraw/zinc/93/44/81/1376934481.db2.gz RWXSYCDAAAFFID-GOSISDBHSA-N 2 0 337.511 3.313 20 0 EGADRP COc1cc(OCc2ccccc2)ccc1C[N@H+](C)CCCC[NH3+] ZINC001236140963 1376935650 /nfs/dbraw/zinc/93/56/50/1376935650.db2.gz BQZFMLXESONAPN-UHFFFAOYSA-N 2 0 328.456 3.445 20 0 EGADRP CCC[N@@H+](Cc1ccc(Br)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236844596 1376965468 /nfs/dbraw/zinc/96/54/68/1376965468.db2.gz WPGAGCBKBMOOPY-AWEZNQCLSA-N 2 0 341.293 3.279 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001135299328 1377027073 /nfs/dbraw/zinc/02/70/73/1377027073.db2.gz WDZQHXAQZPIMJC-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP CCc1ccccc1CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314564 1377033698 /nfs/dbraw/zinc/03/36/98/1377033698.db2.gz CTGWXFUVGJYDPD-QZTJIDSGSA-N 2 0 347.547 3.006 20 0 EGADRP Cc1cc(-c2ccc(OCCC[NH+](C)C)cc2)nc2c1C[NH2+]CC2 ZINC001245337960 1377046119 /nfs/dbraw/zinc/04/61/19/1377046119.db2.gz SGROAXIPGDHYAQ-UHFFFAOYSA-N 2 0 325.456 3.033 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246158229 1377050365 /nfs/dbraw/zinc/05/03/65/1377050365.db2.gz UGGONCMKTCUBIQ-HBMCJLEFSA-N 2 0 330.516 3.392 20 0 EGADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246156219 1377050408 /nfs/dbraw/zinc/05/04/08/1377050408.db2.gz KFNUGWOUTCLZOT-MOWSHJCCSA-N 2 0 343.298 3.139 20 0 EGADRP Fc1ccc(N2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246543505 1377052307 /nfs/dbraw/zinc/05/23/07/1377052307.db2.gz YYGLHSRAOMONFL-LJQANCHMSA-N 2 0 331.479 3.403 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@@H+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001246546924 1377052348 /nfs/dbraw/zinc/05/23/48/1377052348.db2.gz HNZGOZOTDYLWHT-SFHVURJKSA-N 2 0 339.886 3.462 20 0 EGADRP Fc1ccccc1CN([C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246938508 1377055676 /nfs/dbraw/zinc/05/56/76/1377055676.db2.gz OVQAVRKNDXIKDV-FCGDIQPGSA-N 2 0 331.479 3.053 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937394 1377056292 /nfs/dbraw/zinc/05/62/92/1377056292.db2.gz MBFZQDFDEUVBAY-LMMKCTJWSA-N 2 0 336.520 3.353 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1cc2ccccc2s1 ZINC001135372826 1377060564 /nfs/dbraw/zinc/06/05/64/1377060564.db2.gz TUARGYKLUIOZBE-CABCVRRESA-N 2 0 347.528 3.226 20 0 EGADRP CCc1cc(Nc2cc[nH+]cc2CNC(=O)OC(C)(C)C)cc[nH+]1 ZINC001249817803 1377079368 /nfs/dbraw/zinc/07/93/68/1377079368.db2.gz LVWMNOCASAFNHM-UHFFFAOYSA-N 2 0 328.416 3.229 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254510380 1377105789 /nfs/dbraw/zinc/10/57/89/1377105789.db2.gz VERQTJNKSMRUTP-HIFRSBDPSA-N 2 0 325.294 3.454 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468706 1377107911 /nfs/dbraw/zinc/10/79/11/1377107911.db2.gz SFJNNLHMTRMSFV-NUQYTELCSA-N 2 0 337.552 3.338 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CCC1CCCCC1)C(C)C ZINC001135478252 1377111541 /nfs/dbraw/zinc/11/15/41/1377111541.db2.gz YPLPLKNTLCLGJE-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1C)C(C)C ZINC001135478153 1377111775 /nfs/dbraw/zinc/11/17/75/1377111775.db2.gz WRFQTCUFOWBIEA-PKOBYXMFSA-N 2 0 333.520 3.128 20 0 EGADRP CC(C)CC(CC(C)C)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001258836463 1377119418 /nfs/dbraw/zinc/11/94/18/1377119418.db2.gz YNOOVHFRRKHTPJ-UHFFFAOYSA-N 2 0 337.552 3.109 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614298 1377162333 /nfs/dbraw/zinc/16/23/33/1377162333.db2.gz QEDJWXKQPVXEAS-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614274 1377162352 /nfs/dbraw/zinc/16/23/52/1377162352.db2.gz PUYFEMYSOWPCGM-QZTJIDSGSA-N 2 0 345.531 3.100 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135690175 1377184530 /nfs/dbraw/zinc/18/45/30/1377184530.db2.gz FMEDCQQUBNSJHH-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001266115853 1377192711 /nfs/dbraw/zinc/19/27/11/1377192711.db2.gz BCDOZHVBKHSLJR-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135742905 1377199147 /nfs/dbraw/zinc/19/91/47/1377199147.db2.gz ATDMPRLWJAKGNP-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788546 1377211247 /nfs/dbraw/zinc/21/12/47/1377211247.db2.gz HMIZPZMDMYNYBA-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823521 1377222357 /nfs/dbraw/zinc/22/23/57/1377222357.db2.gz BUMOMOYIGBKMRU-ROUUACIJSA-N 2 0 339.568 3.416 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135858483 1377237122 /nfs/dbraw/zinc/23/71/22/1377237122.db2.gz YPJLEEYXXLXMPV-CVEARBPZSA-N 2 0 345.487 3.148 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135861957 1377238607 /nfs/dbraw/zinc/23/86/07/1377238607.db2.gz ZNICTYSUGMNPRD-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135861654 1377238763 /nfs/dbraw/zinc/23/87/63/1377238763.db2.gz VCPXUNMGQLVXKB-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135966696 1377279379 /nfs/dbraw/zinc/27/93/79/1377279379.db2.gz QJSGWUPGBADESK-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135977780 1377284771 /nfs/dbraw/zinc/28/47/71/1377284771.db2.gz YWCJBNISROXVFH-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135995152 1377291803 /nfs/dbraw/zinc/29/18/03/1377291803.db2.gz AAEPVMZJXMVFEN-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309413 1388493690 /nfs/dbraw/zinc/49/36/90/1388493690.db2.gz VKPFXGAFLCIODE-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001267789546 1377468873 /nfs/dbraw/zinc/46/88/73/1377468873.db2.gz IWYLLTGDHNUJTE-IRXDYDNUSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)nc2ccccn12 ZINC001137272370 1377507656 /nfs/dbraw/zinc/50/76/56/1377507656.db2.gz SQQRNVXHTOXLOA-UHFFFAOYSA-N 2 0 326.488 3.197 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001268736055 1377520386 /nfs/dbraw/zinc/52/03/86/1377520386.db2.gz QBIOXWUUAXDZQL-CVEARBPZSA-N 2 0 344.503 3.375 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001269345929 1377552114 /nfs/dbraw/zinc/55/21/14/1377552114.db2.gz WVRGOZGOBLEJSD-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001270789429 1377614360 /nfs/dbraw/zinc/61/43/60/1377614360.db2.gz VAUONKZDJJWDIG-FPOVZHCZSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](CCn1ccnc1)Cc1ccc(OC)c(Br)c1 ZINC001138297916 1377698717 /nfs/dbraw/zinc/69/87/17/1377698717.db2.gz XTFCVMMYHCICRH-UHFFFAOYSA-N 2 0 338.249 3.176 20 0 EGADRP COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1Cl ZINC001138473878 1377728124 /nfs/dbraw/zinc/72/81/24/1377728124.db2.gz FQRGYVGSHQMLIC-UHFFFAOYSA-N 2 0 341.927 3.054 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC001138582462 1377747230 /nfs/dbraw/zinc/74/72/30/1377747230.db2.gz WLAVDJUIBXWDEQ-MOPGFXCFSA-N 2 0 346.478 3.409 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC001138772367 1377782369 /nfs/dbraw/zinc/78/23/69/1377782369.db2.gz IEMNJDLVKNWQKA-IBGZPJMESA-N 2 0 339.483 3.402 20 0 EGADRP Fc1ncccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001138788396 1377785369 /nfs/dbraw/zinc/78/53/69/1377785369.db2.gz BZNSTADQTRNTJD-UHFFFAOYSA-N 2 0 329.419 3.302 20 0 EGADRP COCC[N@H+](Cc1c[nH]c2c1cccc2Cl)C1CCN(C)CC1 ZINC001138835255 1377793736 /nfs/dbraw/zinc/79/37/36/1377793736.db2.gz PJQXNKZWCOIYCS-UHFFFAOYSA-N 2 0 335.879 3.364 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccccc1-n1cncn1 ZINC001139421892 1377881477 /nfs/dbraw/zinc/88/14/77/1377881477.db2.gz FQJNVJZXYBMBIK-RBUKOAKNSA-N 2 0 339.487 3.106 20 0 EGADRP COc1cc(F)cc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001140483512 1378070815 /nfs/dbraw/zinc/07/08/15/1378070815.db2.gz USYOTMIWUJAKCX-OALUTQOASA-N 2 0 340.442 3.398 20 0 EGADRP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275894313 1378161008 /nfs/dbraw/zinc/16/10/08/1378161008.db2.gz HVVBJKGVTAXRFQ-NRFANRHFSA-N 2 0 338.499 3.489 20 0 EGADRP CC[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)CC1 ZINC001276492416 1378175671 /nfs/dbraw/zinc/17/56/71/1378175671.db2.gz URJQWYYHYFICKB-CALCHBBNSA-N 2 0 347.469 3.209 20 0 EGADRP C[N@H+](Cc1cccc(F)c1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140970403 1378195796 /nfs/dbraw/zinc/19/57/96/1378195796.db2.gz JYHBAEASXYRDPZ-UHFFFAOYSA-N 2 0 327.447 3.210 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH+](CC)CC)cc1 ZINC001141585109 1378346426 /nfs/dbraw/zinc/34/64/26/1378346426.db2.gz IOMMBGKCLGBOLY-MOPGFXCFSA-N 2 0 333.520 3.088 20 0 EGADRP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001142380413 1378437955 /nfs/dbraw/zinc/43/79/55/1378437955.db2.gz OYYJMVSEFCKHBH-FCHUYYIVSA-N 2 0 337.511 3.358 20 0 EGADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4cc(Br)ccc34)C2)C1 ZINC001142404823 1378440482 /nfs/dbraw/zinc/44/04/82/1378440482.db2.gz ICBKDKOADGKTLF-KRWDZBQOSA-N 2 0 348.288 3.458 20 0 EGADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001282269809 1378493733 /nfs/dbraw/zinc/49/37/33/1378493733.db2.gz HLKJTLAWSZGCFD-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP c1cc2c(nccc2C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC001142879252 1378502469 /nfs/dbraw/zinc/50/24/69/1378502469.db2.gz OJEXKRQVWBBMSZ-RTBURBONSA-N 2 0 332.451 3.127 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)[C@H](C)c1ccccc1 ZINC001282494824 1378513313 /nfs/dbraw/zinc/51/33/13/1378513313.db2.gz QOOOCGDGUPWXLX-RTBURBONSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CCC(C)(C)C ZINC001143139991 1378546045 /nfs/dbraw/zinc/54/60/45/1378546045.db2.gz ICJPONZGKZZWFC-MSOLQXFVSA-N 2 0 339.568 3.323 20 0 EGADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001282724578 1378578406 /nfs/dbraw/zinc/57/84/06/1378578406.db2.gz IRSVRGDZDLAQKV-ADKAHSJRSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](CCn1ccnc1)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143879379 1378656878 /nfs/dbraw/zinc/65/68/78/1378656878.db2.gz IOZJYJKFJLEIQV-UHFFFAOYSA-N 2 0 343.349 3.312 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CC/C=C\c1ccccc1 ZINC001146399062 1378835101 /nfs/dbraw/zinc/83/51/01/1378835101.db2.gz UHXFLZIMCSGVPV-MNLWLRJWSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001146536887 1378862221 /nfs/dbraw/zinc/86/22/21/1378862221.db2.gz WGOYCRUPNRQPOP-DLBZAZTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001146537682 1378863118 /nfs/dbraw/zinc/86/31/18/1378863118.db2.gz ZVLKWNFAVBTNJR-SJORKVTESA-N 2 0 349.494 3.075 20 0 EGADRP CCc1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593829 1378873007 /nfs/dbraw/zinc/87/30/07/1378873007.db2.gz QLTLEJQRPXSPSB-ZWKOTPCHSA-N 2 0 347.547 3.005 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001146593894 1378873601 /nfs/dbraw/zinc/87/36/01/1378873601.db2.gz RCLPMNLOWZTTRD-LSDHHAIUSA-N 2 0 347.494 3.025 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001146593040 1378874027 /nfs/dbraw/zinc/87/40/27/1378874027.db2.gz MSXKXGDMIGCHDW-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]CCCC1CCC1 ZINC001146614546 1378877873 /nfs/dbraw/zinc/87/78/73/1378877873.db2.gz YIVNDGFBYIORAS-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001147358694 1379008667 /nfs/dbraw/zinc/00/86/67/1379008667.db2.gz IMXFAOKFNFLJHO-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)(C)CC1)C2 ZINC001148174563 1379128721 /nfs/dbraw/zinc/12/87/21/1379128721.db2.gz PDXOQHMNYKZXMZ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001283704593 1379129928 /nfs/dbraw/zinc/12/99/28/1379129928.db2.gz NVEDOEBKDPYNMI-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385777 1379161840 /nfs/dbraw/zinc/16/18/40/1379161840.db2.gz QWKOLYLYOLCNAK-UEKDZROGSA-N 2 0 347.547 3.140 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390052 1379162598 /nfs/dbraw/zinc/16/25/98/1379162598.db2.gz AKKRQCGAIBWDCS-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391975 1379163612 /nfs/dbraw/zinc/16/36/12/1379163612.db2.gz ZIYSVASKOTUJQQ-PHWHVTFISA-N 2 0 347.547 3.142 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148469777 1379179459 /nfs/dbraw/zinc/17/94/59/1379179459.db2.gz UYGKKYLAKSDFHJ-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148551729 1379209577 /nfs/dbraw/zinc/20/95/77/1379209577.db2.gz STHWUJTWDCOQGF-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001148638971 1379232594 /nfs/dbraw/zinc/23/25/94/1379232594.db2.gz VYGNZZFNWJFMKQ-UHFFFAOYSA-N 2 0 345.531 3.008 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001148656769 1379235303 /nfs/dbraw/zinc/23/53/03/1379235303.db2.gz CZTDCLTWXFEQEA-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148842776 1379282178 /nfs/dbraw/zinc/28/21/78/1379282178.db2.gz CCYMLXUSUIGHGZ-IBGZPJMESA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148842845 1379282346 /nfs/dbraw/zinc/28/23/46/1379282346.db2.gz CZXAYBKWTXOGNP-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C[C@H]1C ZINC001284018599 1379367412 /nfs/dbraw/zinc/36/74/12/1379367412.db2.gz UKAFECGVTABVHC-MJGOQNOKSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CCCC1CCCC1 ZINC001284131398 1379513176 /nfs/dbraw/zinc/51/31/76/1379513176.db2.gz KZVQRHVLYMDAGB-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)cc2C)[C@H]1C ZINC001284155235 1379551308 /nfs/dbraw/zinc/55/13/08/1379551308.db2.gz UEGOZRVAENYJMJ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001284244538 1379628635 /nfs/dbraw/zinc/62/86/35/1379628635.db2.gz RISWMCSWLUFPNM-RTBURBONSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001327904314 1388620320 /nfs/dbraw/zinc/62/03/20/1388620320.db2.gz RCKKKOGNXQKEDP-XLIONFOSSA-N 2 0 345.531 3.088 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001327918769 1388623473 /nfs/dbraw/zinc/62/34/73/1388623473.db2.gz VPQCWXQXYKMYDG-HNNXBMFYSA-N 2 0 348.560 3.406 20 0 EGADRP CC[N@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392805 1379925749 /nfs/dbraw/zinc/92/57/49/1379925749.db2.gz UVVXBEJYCBUYEZ-FLXMXVCVSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312334 1380053918 /nfs/dbraw/zinc/05/39/18/1380053918.db2.gz FTQZCETXSVAFNH-IEBWSBKVSA-N 2 0 349.563 3.266 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]CCC1CCCCCC1 ZINC001153314545 1380055152 /nfs/dbraw/zinc/05/51/52/1380055152.db2.gz MBTZLIYNASAVHW-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451452 1380079206 /nfs/dbraw/zinc/07/92/06/1380079206.db2.gz DPHBAWSVMJGVDX-ZHALLVOQSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccccc2C)CC[N@@H+]1C ZINC001153501901 1380085838 /nfs/dbraw/zinc/08/58/38/1380085838.db2.gz YGMDLLNOXDIQIW-YZGWKJHDSA-N 2 0 345.531 3.052 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880128 1380148811 /nfs/dbraw/zinc/14/88/11/1380148811.db2.gz ZUSBIMUTEZMCPL-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001154034233 1380188011 /nfs/dbraw/zinc/18/80/11/1380188011.db2.gz XHQKATZWSNGPDV-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083234 1380201662 /nfs/dbraw/zinc/20/16/62/1380201662.db2.gz MYVUEDUCBRGYMX-JTHGQSKGSA-N 2 0 346.519 3.091 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167970 1380220057 /nfs/dbraw/zinc/22/00/57/1380220057.db2.gz XNYSSLGBVCWNNW-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347765 1380261724 /nfs/dbraw/zinc/26/17/24/1380261724.db2.gz JZADYAUOYWVHCH-MRXNPFEDSA-N 2 0 342.487 3.355 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455174 1380280824 /nfs/dbraw/zinc/28/08/24/1380280824.db2.gz IQVHTRWIENMMRV-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464464 1380282995 /nfs/dbraw/zinc/28/29/95/1380282995.db2.gz MHUMYYAPAHVESS-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC001154465933 1380283152 /nfs/dbraw/zinc/28/31/52/1380283152.db2.gz PAENNZJDSJNEFA-BJLQDIEVSA-N 2 0 345.531 3.224 20 0 EGADRP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580230 1380308960 /nfs/dbraw/zinc/30/89/60/1380308960.db2.gz RRUJQQTYETZMNR-MRXNPFEDSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580043 1380309153 /nfs/dbraw/zinc/30/91/53/1380309153.db2.gz MBRLXDWZLDRPON-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154887667 1380373055 /nfs/dbraw/zinc/37/30/55/1380373055.db2.gz BIUZTYOVOJIZDT-MRXNPFEDSA-N 2 0 347.503 3.282 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085815 1380405917 /nfs/dbraw/zinc/40/59/17/1380405917.db2.gz ULRCXLNEAZIMIZ-IEBWSBKVSA-N 2 0 339.568 3.370 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282979 1380433072 /nfs/dbraw/zinc/43/30/72/1380433072.db2.gz GEELAXLIIHVHHK-QZEKMECESA-N 2 0 337.552 3.291 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283699 1380433438 /nfs/dbraw/zinc/43/34/38/1380433438.db2.gz WVGRMTOKKWUHJP-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1ccc2c(c1)[C@@H](Nc1cc(N(C)C)ncn1)CC21CC[NH2+]CC1 ZINC001155430105 1380451523 /nfs/dbraw/zinc/45/15/23/1380451523.db2.gz DQXZFWIMLUPUSJ-KRWDZBQOSA-N 2 0 337.471 3.029 20 0 EGADRP c1ccc(C[N@@H+]2CCc3nc(N[C@H]4C[NH+]5CCC4CC5)ccc3C2)cc1 ZINC001155662395 1380479921 /nfs/dbraw/zinc/47/99/21/1380479921.db2.gz AHXLKMZPOSJVNW-NRFANRHFSA-N 2 0 348.494 3.146 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993937 1380511785 /nfs/dbraw/zinc/51/17/85/1380511785.db2.gz BKRIFGBWMMNKMD-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193601 1380539296 /nfs/dbraw/zinc/53/92/96/1380539296.db2.gz GDTYYIFCTWQUIH-OAHLLOKOSA-N 2 0 339.911 3.008 20 0 EGADRP CC[NH+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194767 1380539859 /nfs/dbraw/zinc/53/98/59/1380539859.db2.gz VNZLSOWRTVSEKM-LMICACPXSA-N 2 0 345.531 3.258 20 0 EGADRP COc1cc2c[nH+]c(NCC[C@@H]3CCC[N@H+](C)C3)cc2cc1OC ZINC001156386405 1380569524 /nfs/dbraw/zinc/56/95/24/1380569524.db2.gz SHECNYBSCVIWCZ-AWEZNQCLSA-N 2 0 329.444 3.396 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428213 1380574717 /nfs/dbraw/zinc/57/47/17/1380574717.db2.gz BGPQRBWXXJACLC-MRXNPFEDSA-N 2 0 346.519 3.168 20 0 EGADRP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2cc3[nH]ccc3c[nH+]2)C1 ZINC001156464828 1380579393 /nfs/dbraw/zinc/57/93/93/1380579393.db2.gz XBYBVFVXZCQCSC-MRXNPFEDSA-N 2 0 346.551 3.434 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001328103319 1388674137 /nfs/dbraw/zinc/67/41/37/1388674137.db2.gz SOXUQGSUZUMJSP-MJGOQNOKSA-N 2 0 345.531 3.306 20 0 EGADRP [NH3+]C1CCN(c2cccc(NCc3nccc4ccccc43)[nH+]2)CC1 ZINC001156868747 1380708583 /nfs/dbraw/zinc/70/85/83/1380708583.db2.gz NFJHQKIDKMEHLW-UHFFFAOYSA-N 2 0 333.439 3.169 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086415 1380772650 /nfs/dbraw/zinc/77/26/50/1380772650.db2.gz SRTRZTNVPAJOSW-DLBZAZTESA-N 2 0 333.520 3.235 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109480 1380776725 /nfs/dbraw/zinc/77/67/25/1380776725.db2.gz PACZNCRLHMVPAH-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157118524 1380780186 /nfs/dbraw/zinc/78/01/86/1380780186.db2.gz HKMRMKCKHCWKAB-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138264 1380784157 /nfs/dbraw/zinc/78/41/57/1380784157.db2.gz QUNBWQPQAOYJQW-IAGOWNOFSA-N 2 0 333.520 3.235 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137869 1380784504 /nfs/dbraw/zinc/78/45/04/1380784504.db2.gz GIRUYMMVGWIQIM-QGZVFWFLSA-N 2 0 333.520 3.235 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N(CC[NH3+])c2cccnc2)nc1 ZINC001158001483 1381098559 /nfs/dbraw/zinc/09/85/59/1381098559.db2.gz JJYFCEGQDIMMMP-SFHVURJKSA-N 2 0 325.460 3.120 20 0 EGADRP CC(C)(C)CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100056 1381127265 /nfs/dbraw/zinc/12/72/65/1381127265.db2.gz VYDYFRDNTOCCTL-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001158312245 1381195996 /nfs/dbraw/zinc/19/59/96/1381195996.db2.gz BJTXHHSQYSMELX-SFHVURJKSA-N 2 0 335.455 3.426 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001158438277 1381246960 /nfs/dbraw/zinc/24/69/60/1381246960.db2.gz QUTDJXUPCZYCEY-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1C ZINC001158450126 1381249821 /nfs/dbraw/zinc/24/98/21/1381249821.db2.gz LFUURDNDFLGSMJ-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486488 1381263881 /nfs/dbraw/zinc/26/38/81/1381263881.db2.gz DWRXDXMMWZPBKH-MSOLQXFVSA-N 2 0 325.541 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001158704725 1381361143 /nfs/dbraw/zinc/36/11/43/1381361143.db2.gz UFQMLISNLNQNQQ-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nccc(C2CC[NH2+]CC2)n1 ZINC001158736647 1381374960 /nfs/dbraw/zinc/37/49/60/1381374960.db2.gz LGBJYHYASBWLEL-QGZVFWFLSA-N 2 0 337.471 3.184 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001158923192 1381465656 /nfs/dbraw/zinc/46/56/56/1381465656.db2.gz TXHBZIRTEMHBSB-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)nc2)CC1 ZINC001159117005 1381603393 /nfs/dbraw/zinc/60/33/93/1381603393.db2.gz CSVLIJWMCOQFOG-IBGZPJMESA-N 2 0 337.471 3.002 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159155282 1381676113 /nfs/dbraw/zinc/67/61/13/1381676113.db2.gz LYXNDLVPTOOJHU-HNNXBMFYSA-N 2 0 339.549 3.201 20 0 EGADRP c1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc(N2CCOCC2)[nH+]1 ZINC001159254358 1381744256 /nfs/dbraw/zinc/74/42/56/1381744256.db2.gz NOVZLJFIWQSYKP-UHFFFAOYSA-N 2 0 338.455 3.129 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001328412515 1388740079 /nfs/dbraw/zinc/74/00/79/1388740079.db2.gz CYVMJSZYVOMXLB-ZQIUZPCESA-N 2 0 339.911 3.226 20 0 EGADRP Cc1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C[NH3+])c1 ZINC001159294448 1381754626 /nfs/dbraw/zinc/75/46/26/1381754626.db2.gz UQEATAYRHNQKFQ-OWZKRDHZSA-N 2 0 336.483 3.456 20 0 EGADRP Cc1ncnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1C ZINC001159460152 1381799810 /nfs/dbraw/zinc/79/98/10/1381799810.db2.gz BPYJJGBJHSJOHW-UHFFFAOYSA-N 2 0 349.482 3.003 20 0 EGADRP CN1CC[NH+](C2(c3ccc(Nc4ccc5c(c4)C[NH2+]C5)cc3)CC2)CC1 ZINC001159470353 1381801884 /nfs/dbraw/zinc/80/18/84/1381801884.db2.gz CFEHSKGSRNVXPD-UHFFFAOYSA-N 2 0 348.494 3.270 20 0 EGADRP c1cc(Nc2cccc(N3CC[NH2+]CC3)c2)cc(C2CC[NH2+]CC2)c1 ZINC001159757736 1381890963 /nfs/dbraw/zinc/89/09/63/1381890963.db2.gz UKFRAEFNCFXWLT-UHFFFAOYSA-N 2 0 336.483 3.307 20 0 EGADRP Cc1sc2nc(-c3cccs3)nc(N[C@H]([NH3+])CCC[NH3+])c2c1C ZINC001159787187 1381900309 /nfs/dbraw/zinc/90/03/09/1381900309.db2.gz SYRIPRCAROBBFG-LBPRGKRZSA-N 2 0 347.513 3.472 20 0 EGADRP [NH3+][C@H]1Cc2ccc(Nc3ccc(COC4CC[NH2+]CC4)cc3)cc2C1 ZINC001159833036 1381915215 /nfs/dbraw/zinc/91/52/15/1381915215.db2.gz QLFAFLMPDYGMOA-SFHVURJKSA-N 2 0 337.467 3.125 20 0 EGADRP Cc1cc(Nc2cc(F)ccc2OCC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001159889719 1381929038 /nfs/dbraw/zinc/92/90/38/1381929038.db2.gz QHWPTFDYDZSBEQ-UHFFFAOYSA-N 2 0 329.419 3.381 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001159909244 1381934380 /nfs/dbraw/zinc/93/43/80/1381934380.db2.gz MCCHRHAGVPKJSJ-ICSRJNTNSA-N 2 0 345.531 3.415 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159911476 1381935298 /nfs/dbraw/zinc/93/52/98/1381935298.db2.gz YXDYOBPUMXASJC-RBUKOAKNSA-N 2 0 345.531 3.415 20 0 EGADRP [NH3+][C@@H]1CCc2c3ccccc3n(-c3ncccc3C[NH+]3CCCC3)c2C1 ZINC001159950735 1381947810 /nfs/dbraw/zinc/94/78/10/1381947810.db2.gz AMCSAAWDKPNZLP-QGZVFWFLSA-N 2 0 346.478 3.437 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)c1F ZINC001159953331 1381948099 /nfs/dbraw/zinc/94/80/99/1381948099.db2.gz FYYZPOXSZKNMOG-KRWDZBQOSA-N 2 0 329.419 3.420 20 0 EGADRP [NH3+]C1CCN(c2cccc(F)c2Nc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001160072203 1381988992 /nfs/dbraw/zinc/98/89/92/1381988992.db2.gz WVODVKJECIUVPJ-UHFFFAOYSA-N 2 0 340.446 3.143 20 0 EGADRP Fc1cccc(OC2CC[NH2+]CC2)c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001160149632 1382016564 /nfs/dbraw/zinc/01/65/64/1382016564.db2.gz SQSCGYRIPWFAKU-UHFFFAOYSA-N 2 0 341.430 3.346 20 0 EGADRP Fc1cccc(Nc2cccc3c2CC[NH2+]C3)c1OC1CC[NH2+]CC1 ZINC001160174122 1382024363 /nfs/dbraw/zinc/02/43/63/1382024363.db2.gz QUEBUBGKNXGFAM-UHFFFAOYSA-N 2 0 341.430 3.346 20 0 EGADRP [NH3+]CCOc1cccc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001160266136 1382055068 /nfs/dbraw/zinc/05/50/68/1382055068.db2.gz RRRNQKIGOLPRFQ-KRWDZBQOSA-N 2 0 325.456 3.310 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001160274225 1382058661 /nfs/dbraw/zinc/05/86/61/1382058661.db2.gz RIMZRDBIDGZZKH-QUCCMNQESA-N 2 0 343.515 3.034 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001160274460 1382058721 /nfs/dbraw/zinc/05/87/21/1382058721.db2.gz SPWYBFFZOZZDJO-RTBURBONSA-N 2 0 345.531 3.335 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160273401 1382058794 /nfs/dbraw/zinc/05/87/94/1382058794.db2.gz LUBRTBVFQXDKJA-ZWKOTPCHSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC(CC)CC)CC1 ZINC001160285912 1382062430 /nfs/dbraw/zinc/06/24/30/1382062430.db2.gz LBUVZHHQUNMGRF-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360719 1382083068 /nfs/dbraw/zinc/08/30/68/1382083068.db2.gz VSHKAETYCREIGW-HXUWFJFHSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399989 1382094923 /nfs/dbraw/zinc/09/49/23/1382094923.db2.gz ISNWGVHNPVQILT-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)[C@@]2(Cc3cccc(C)c3)CCC[NH2+]2)cc1 ZINC001160443424 1382105164 /nfs/dbraw/zinc/10/51/64/1382105164.db2.gz IXSUSGDORPPCID-NRFANRHFSA-N 2 0 337.467 3.018 20 0 EGADRP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328491637 1388763143 /nfs/dbraw/zinc/76/31/43/1388763143.db2.gz HRERSSWQXYBCNV-ZDUSSCGKSA-N 2 0 332.473 3.325 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001160500114 1382124688 /nfs/dbraw/zinc/12/46/88/1382124688.db2.gz LEPZIZIINXQRBE-FQEVSTJZSA-N 2 0 345.531 3.110 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160500712 1382125150 /nfs/dbraw/zinc/12/51/50/1382125150.db2.gz QZLGAYHEOTUAGB-ICSRJNTNSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H]1CCCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001292582131 1382204526 /nfs/dbraw/zinc/20/45/26/1382204526.db2.gz KAWUSJMGBOBSQL-GUDVDZBRSA-N 2 0 337.552 3.077 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160869768 1382219970 /nfs/dbraw/zinc/21/99/70/1382219970.db2.gz SMFHNQWYHXTIBO-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP Cc1cc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc(-c2ccsc2)n1 ZINC001160951274 1382249158 /nfs/dbraw/zinc/24/91/58/1382249158.db2.gz CMPDSSDSHOURDK-UHFFFAOYSA-N 2 0 335.436 3.354 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](CCC3CC3)CC2)C1 ZINC001160986349 1382262400 /nfs/dbraw/zinc/26/24/00/1382262400.db2.gz PROUUSXQABGSFA-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391696 1382396725 /nfs/dbraw/zinc/39/67/25/1382396725.db2.gz VVGJNOQDYURHQD-PLNGDYQASA-N 2 0 347.547 3.213 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492079 1382421505 /nfs/dbraw/zinc/42/15/05/1382421505.db2.gz PXYFDFCMDIDLTD-LJQANCHMSA-N 2 0 337.552 3.291 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161504341 1382424631 /nfs/dbraw/zinc/42/46/31/1382424631.db2.gz IPVFMWKNORTZMQ-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504161 1382424972 /nfs/dbraw/zinc/42/49/72/1382424972.db2.gz DTYSFHSUTXSXPU-CMDGGOBGSA-N 2 0 335.536 3.213 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH+](CC)Cc2ccccc2)CC1 ZINC001328588953 1388784632 /nfs/dbraw/zinc/78/46/32/1388784632.db2.gz QZJPJFGUFYLFRJ-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161554748 1382438374 /nfs/dbraw/zinc/43/83/74/1382438374.db2.gz REQCTBAUXAOCFW-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161649272 1382470003 /nfs/dbraw/zinc/47/00/03/1382470003.db2.gz AEVCSLMAVGAOQD-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161699223 1382483958 /nfs/dbraw/zinc/48/39/58/1382483958.db2.gz OKDJWKFCURRHJQ-PRPIBZDOSA-N 2 0 347.547 3.213 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952950 1382569739 /nfs/dbraw/zinc/56/97/39/1382569739.db2.gz MEHRZUKPBHFYCK-KKHYBRAUSA-N 2 0 347.547 3.356 20 0 EGADRP CCCCOc1cnc(NCCC[NH2+]CCCC[NH3+])c(Cl)c1 ZINC001162292444 1382723779 /nfs/dbraw/zinc/72/37/79/1382723779.db2.gz OGTDFWGEZLCBNB-UHFFFAOYSA-N 2 0 328.888 3.044 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617996 1382812107 /nfs/dbraw/zinc/81/21/07/1382812107.db2.gz YVJAISLWPPGWMR-MRXNPFEDSA-N 2 0 336.439 3.113 20 0 EGADRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001162677852 1382830843 /nfs/dbraw/zinc/83/08/43/1382830843.db2.gz SPCFZMJRRVEINE-NSISKUIASA-N 2 0 338.499 3.328 20 0 EGADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2c[nH+]c(C)cc2c1 ZINC001162739013 1382853975 /nfs/dbraw/zinc/85/39/75/1382853975.db2.gz LLVKKGSTVJWCMH-GOSISDBHSA-N 2 0 329.444 3.086 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2cncc([C@@H]3C[NH+]4CCC3CC4)n2)c1 ZINC001162910895 1382913098 /nfs/dbraw/zinc/91/30/98/1382913098.db2.gz YANNCJYZDDWHLX-KBXCAEBGSA-N 2 0 347.466 3.249 20 0 EGADRP c1cc([C@H]2CCC[NH2+]2)ccc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162967113 1382930646 /nfs/dbraw/zinc/93/06/46/1382930646.db2.gz YTBVWHYUUHXFJX-RTBURBONSA-N 2 0 329.488 3.072 20 0 EGADRP c1ccc(C[N@@H+]2CCc3c(ccnc3N[C@@]34CCC[C@@H]3[NH2+]CC4)C2)cc1 ZINC001162984393 1382937254 /nfs/dbraw/zinc/93/72/54/1382937254.db2.gz VTJLOTSYCWXBLS-RBBKRZOGSA-N 2 0 348.494 3.336 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)cc2cc(C)ccc21 ZINC001163129359 1382972140 /nfs/dbraw/zinc/97/21/40/1382972140.db2.gz UZKCZCMJUOCZAV-UHFFFAOYSA-N 2 0 333.867 3.475 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)cc2cccc(C)c21 ZINC001163128846 1382972553 /nfs/dbraw/zinc/97/25/53/1382972553.db2.gz CUFAJZALLDRZMU-UHFFFAOYSA-N 2 0 333.867 3.475 20 0 EGADRP Cc1cc(C)c2nc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc(C)c2c1 ZINC001163162470 1382980832 /nfs/dbraw/zinc/98/08/32/1382980832.db2.gz BIEQCINZSYEYMZ-JFIYKMOQSA-N 2 0 325.456 3.196 20 0 EGADRP Brc1cccc2[nH+]cc(N[C@@H]3C[NH2+]Cc4ccsc43)n21 ZINC001163229920 1383000055 /nfs/dbraw/zinc/00/00/55/1383000055.db2.gz MDCXPFSIPSWIBK-SNVBAGLBSA-N 2 0 349.257 3.415 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]Cc1ccccc1F)C1CCCCC1 ZINC001163275301 1383010784 /nfs/dbraw/zinc/01/07/84/1383010784.db2.gz YMHLSPZFLYAKAE-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001163851847 1383129380 /nfs/dbraw/zinc/12/93/80/1383129380.db2.gz UTCWDCVNHCWABQ-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001163851143 1383129529 /nfs/dbraw/zinc/12/95/29/1383129529.db2.gz HLBRKIHWFOVLTB-KRWDZBQOSA-N 2 0 331.504 3.026 20 0 EGADRP CN1CCC(CNc2ccc3c(c2)[nH]c2cc[nH+]cc23)([NH+](C)C)CC1 ZINC001164217505 1383167401 /nfs/dbraw/zinc/16/74/01/1383167401.db2.gz VUPFRDGTQYBPGY-UHFFFAOYSA-N 2 0 337.471 3.154 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001164449085 1383187802 /nfs/dbraw/zinc/18/78/02/1383187802.db2.gz CCDVYNOAFVFNJN-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP Nc1[nH]c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2[nH+]1 ZINC001164491178 1383192595 /nfs/dbraw/zinc/19/25/95/1383192595.db2.gz CMHGNIKVTAAQDF-RYQLBKOJSA-N 2 0 347.466 3.468 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491723 1383192648 /nfs/dbraw/zinc/19/26/48/1383192648.db2.gz NBTLKNIZZPROOA-FQEVSTJZSA-N 2 0 343.515 3.080 20 0 EGADRP CC(C)(C)CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491539 1383192677 /nfs/dbraw/zinc/19/26/77/1383192677.db2.gz JVFBPEQKZWESQK-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1[nH+]ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1F ZINC001164499547 1383193826 /nfs/dbraw/zinc/19/38/26/1383193826.db2.gz RRXIBBZDNFNWGS-OKZBNKHCSA-N 2 0 325.431 3.274 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531364 1383196965 /nfs/dbraw/zinc/19/69/65/1383196965.db2.gz FVAIDJXGDMNDGY-QZTJIDSGSA-N 2 0 349.563 3.173 20 0 EGADRP CN(CCc1ccc(F)cc1)c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001165094636 1383227919 /nfs/dbraw/zinc/22/79/19/1383227919.db2.gz XUHMOIRJPXYIOJ-UHFFFAOYSA-N 2 0 343.446 3.373 20 0 EGADRP c1ccc2c(c1)N(c1ccc(C[NH+]3CCCC3)cn1)CC21CC[NH2+]CC1 ZINC001165145673 1383236570 /nfs/dbraw/zinc/23/65/70/1383236570.db2.gz UNGWGAKVNGYUEL-UHFFFAOYSA-N 2 0 348.494 3.450 20 0 EGADRP CCc1nc(C)cc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC001165154717 1383238814 /nfs/dbraw/zinc/23/88/14/1383238814.db2.gz OKHJWJTZWBRGFN-UHFFFAOYSA-N 2 0 336.483 3.375 20 0 EGADRP COc1cccc(CC[NH+]2CCCC2)c1NC=CC1CC[NH2+]CC1 ZINC001165213246 1383249703 /nfs/dbraw/zinc/24/97/03/1383249703.db2.gz AEMFFEONNHGSBU-LCYFTJDESA-N 2 0 329.488 3.259 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165333130 1383275525 /nfs/dbraw/zinc/27/55/25/1383275525.db2.gz MWCNHSNXROPBOY-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cc2[nH]ccc2c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)[nH+]1 ZINC001165421240 1383292347 /nfs/dbraw/zinc/29/23/47/1383292347.db2.gz LIDYRHAWZZPWIG-NQIIRXRSSA-N 2 0 332.451 3.455 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472547 1383300162 /nfs/dbraw/zinc/30/01/62/1383300162.db2.gz MRCQHIIOZZXTSI-UEKDZROGSA-N 2 0 349.563 3.197 20 0 EGADRP Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788806 1383345046 /nfs/dbraw/zinc/34/50/46/1383345046.db2.gz VCQATWALZDCHDD-UHFFFAOYSA-N 2 0 347.547 3.149 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001165895343 1383359104 /nfs/dbraw/zinc/35/91/04/1383359104.db2.gz YGNOXMBRGYMIDL-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)c2cccc3nccn32)CC1 ZINC001166138124 1383394527 /nfs/dbraw/zinc/39/45/27/1383394527.db2.gz FHUJBQJAXPBQES-ARJAWSKDSA-N 2 0 340.471 3.180 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccccc1 ZINC001166446622 1383423614 /nfs/dbraw/zinc/42/36/14/1383423614.db2.gz CQPACPKKZJHKBS-RTBURBONSA-N 2 0 333.520 3.354 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cc(C)sc1C)[NH+](CC)CC ZINC001166455055 1383424249 /nfs/dbraw/zinc/42/42/49/1383424249.db2.gz OUBURYSQJDCCOD-QGZVFWFLSA-N 2 0 339.549 3.081 20 0 EGADRP CN(c1cccc(N2CCC([NH3+])CC2)[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC001166595421 1383443208 /nfs/dbraw/zinc/44/32/08/1383443208.db2.gz QJSOBWFJNRVQDL-UHFFFAOYSA-N 2 0 340.515 3.414 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001166686695 1383460769 /nfs/dbraw/zinc/46/07/69/1383460769.db2.gz DITJKBBJCQNAJA-OXQOHEQNSA-N 2 0 349.494 3.056 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]CCCCc1ccccc1)CC(C)(C)C ZINC001166744261 1383469901 /nfs/dbraw/zinc/46/99/01/1383469901.db2.gz ODRIFYOLTKYWAJ-UHFFFAOYSA-N 2 0 347.547 3.083 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]CCCC1CCCC1)CC(C)(C)C ZINC001166743977 1383470039 /nfs/dbraw/zinc/47/00/39/1383470039.db2.gz BMGVZLDGPMYXMY-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765075 1383474012 /nfs/dbraw/zinc/47/40/12/1383474012.db2.gz QLJRHULMKHPFBY-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP Cc1cc(NC(=O)C(C)(C)[NH+]2CCCCC2)ccc1OCC[NH+](C)C ZINC001299148019 1383475918 /nfs/dbraw/zinc/47/59/18/1383475918.db2.gz FLNGYIGWMCCCGH-UHFFFAOYSA-N 2 0 347.503 3.138 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]CC3CC(C)C3)CC2)C1 ZINC001166793309 1383478334 /nfs/dbraw/zinc/47/83/34/1383478334.db2.gz ILGJBBOOJMTNIY-CTWPCTMYSA-N 2 0 349.563 3.031 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001167608532 1383688566 /nfs/dbraw/zinc/68/85/66/1383688566.db2.gz FSEDPMLDOQKWQX-SFHVURJKSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001167609138 1383688574 /nfs/dbraw/zinc/68/85/74/1383688574.db2.gz LMFMEBORDDIJNZ-SFHVURJKSA-N 2 0 335.536 3.237 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001167628148 1383693506 /nfs/dbraw/zinc/69/35/06/1383693506.db2.gz WOAJULRDPYKINK-LJQANCHMSA-N 2 0 335.536 3.236 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001167667845 1383705913 /nfs/dbraw/zinc/70/59/13/1383705913.db2.gz NINGUOVCYZMQNP-LJQANCHMSA-N 2 0 349.494 3.105 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC001167824047 1383749298 /nfs/dbraw/zinc/74/92/98/1383749298.db2.gz BEWOLZNQRCZJRL-MRXNPFEDSA-N 2 0 332.488 3.342 20 0 EGADRP CC[C@@H]1[N@@H+]([C@@H](C)CCC[NH+](CC)CC)CCC[C@]12CCC(=O)N2C ZINC001167823158 1383749461 /nfs/dbraw/zinc/74/94/61/1383749461.db2.gz JOKBTKXADJXKHF-BJLQDIEVSA-N 2 0 337.552 3.362 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001167823531 1383749505 /nfs/dbraw/zinc/74/95/05/1383749505.db2.gz DGWWHPPTRLNHKV-CADBVGFASA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCOC[C@@H]2COC)CC1 ZINC001167828112 1383751259 /nfs/dbraw/zinc/75/12/59/1383751259.db2.gz WKOVIWGIJOXGAO-OALUTQOASA-N 2 0 340.552 3.262 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1cc(OC)cc[nH+]1)C1CC[NH2+]CC1 ZINC001167835866 1383753757 /nfs/dbraw/zinc/75/37/57/1383753757.db2.gz UYPQXJVRLFNBNW-KRWDZBQOSA-N 3 0 348.535 3.159 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2nccc(C)n2)C1 ZINC001167836424 1383755333 /nfs/dbraw/zinc/75/53/33/1383755333.db2.gz ZWIUWMXPCZSJHF-QZTJIDSGSA-N 2 0 334.508 3.139 20 0 EGADRP c1cn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cc2)cn1 ZINC001167964911 1383780476 /nfs/dbraw/zinc/78/04/76/1383780476.db2.gz ZYPBNEUOAAMJEZ-VCSGRIEYSA-N 3 0 336.483 3.367 20 0 EGADRP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)Nc1ccccc1 ZINC001167967546 1383781549 /nfs/dbraw/zinc/78/15/49/1383781549.db2.gz GXMOUAWYBBKHLZ-YQQQUEKLSA-N 2 0 327.472 3.010 20 0 EGADRP O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)(C3)C1)C2 ZINC001167968563 1383781850 /nfs/dbraw/zinc/78/18/50/1383781850.db2.gz RNDQJTXCWHCBJV-VCKKMPECSA-N 2 0 330.516 3.065 20 0 EGADRP C[C@@H](C[NH3+])CN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974276 1383783303 /nfs/dbraw/zinc/78/33/03/1383783303.db2.gz TZZMQVKUQPQCEE-HNYYDBCASA-N 2 0 341.543 3.489 20 0 EGADRP COc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)n1 ZINC001167979015 1383785496 /nfs/dbraw/zinc/78/54/96/1383785496.db2.gz SATDYSZSWONTJK-AYHJJNSGSA-N 2 0 341.499 3.117 20 0 EGADRP C[C@@H]1CC(N2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053567 1383804430 /nfs/dbraw/zinc/80/44/30/1383804430.db2.gz PEPRNIKMEKYHNU-GGPKGHCWSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]1CC(N2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055848 1383806021 /nfs/dbraw/zinc/80/60/21/1383806021.db2.gz YCJXRRJFDCELOT-QWFCFKBJSA-N 2 0 329.532 3.454 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC(=O)c2cccc(Br)c2)CC1 ZINC001168290446 1383864386 /nfs/dbraw/zinc/86/43/86/1383864386.db2.gz NKISGAYHLWQZNK-UHFFFAOYSA-N 2 0 339.277 3.094 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168302109 1383867350 /nfs/dbraw/zinc/86/73/50/1383867350.db2.gz LDPUGVJWULTNJE-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP COc1ccccc1C1([NH2+]C2CCC([NH+](C)C)CC2)CCOCC1 ZINC001168305839 1383868363 /nfs/dbraw/zinc/86/83/63/1383868363.db2.gz OFTTYWMXLBPLLK-UHFFFAOYSA-N 2 0 332.488 3.163 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC001168312392 1383870760 /nfs/dbraw/zinc/87/07/60/1383870760.db2.gz UOZXLISPNHLCNX-UHFFFAOYSA-N 2 0 343.427 3.033 20 0 EGADRP COc1cccc(-c2nc(C[NH2+]C3CCC([NH+](C)C)CC3)co2)c1 ZINC001168312060 1383870958 /nfs/dbraw/zinc/87/09/58/1383870958.db2.gz IUYFNHMQHISQBM-UHFFFAOYSA-N 2 0 329.444 3.313 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001168314266 1383871448 /nfs/dbraw/zinc/87/14/48/1383871448.db2.gz AIEMZQNTHHQQBX-UHFFFAOYSA-N 2 0 336.907 3.496 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315046 1383871671 /nfs/dbraw/zinc/87/16/71/1383871671.db2.gz QEOJKYOCGZGIKC-GTPINHCMSA-N 2 0 339.524 3.048 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001168327574 1383874492 /nfs/dbraw/zinc/87/44/92/1383874492.db2.gz OWIQSJUTDVZMGA-QNGMFEMESA-N 3 0 329.532 3.313 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001168329538 1383874685 /nfs/dbraw/zinc/87/46/85/1383874685.db2.gz XCZFRBVIGSYTBB-BUNACBEFSA-N 2 0 342.483 3.201 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168335181 1383876290 /nfs/dbraw/zinc/87/62/90/1383876290.db2.gz AQOBIGGIPASOEL-IBGZPJMESA-N 2 0 347.547 3.237 20 0 EGADRP COC(=O)[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC001168334256 1383876332 /nfs/dbraw/zinc/87/63/32/1383876332.db2.gz NWJZCVCQHIYXMZ-BTRQGYIVSA-N 2 0 330.472 3.095 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168335839 1383877121 /nfs/dbraw/zinc/87/71/21/1383877121.db2.gz WAUMLWCZLOAMBS-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP Brc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168353698 1383880369 /nfs/dbraw/zinc/88/03/69/1383880369.db2.gz QONBPOFSKVRTMF-GOSISDBHSA-N 2 0 349.316 3.380 20 0 EGADRP Brc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168353700 1383880388 /nfs/dbraw/zinc/88/03/88/1383880388.db2.gz QONBPOFSKVRTMF-SFHVURJKSA-N 2 0 349.316 3.380 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C1CC[NH+](CC2CC2)CC1 ZINC001168395371 1383895265 /nfs/dbraw/zinc/89/52/65/1383895265.db2.gz XNHOXSXHPLLOSB-RTBURBONSA-N 2 0 341.543 3.456 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc3C2)cc1 ZINC001168402291 1383897135 /nfs/dbraw/zinc/89/71/35/1383897135.db2.gz YQJZKBOWNGHKOJ-HXUWFJFHSA-N 2 0 342.458 3.413 20 0 EGADRP Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001168415918 1383900739 /nfs/dbraw/zinc/90/07/39/1383900739.db2.gz SRFOALLZSCJRTI-IBGZPJMESA-N 2 0 325.431 3.337 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001168469681 1383915402 /nfs/dbraw/zinc/91/54/02/1383915402.db2.gz USMOCUPSOVXQNW-MRXNPFEDSA-N 2 0 327.447 3.188 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001168475026 1383916935 /nfs/dbraw/zinc/91/69/35/1383916935.db2.gz VKEUDCHZPXLPFW-MRXNPFEDSA-N 2 0 327.447 3.188 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC001168582785 1383941819 /nfs/dbraw/zinc/94/18/19/1383941819.db2.gz GZRXCUWLWXOPMV-AZUAARDMSA-N 2 0 332.488 3.378 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168592118 1383943751 /nfs/dbraw/zinc/94/37/51/1383943751.db2.gz XVGNMXWVHALLST-ICSRJNTNSA-N 2 0 332.488 3.379 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccccc3C[NH3+])CCO2)cc1 ZINC001168609156 1383947656 /nfs/dbraw/zinc/94/76/56/1383947656.db2.gz MVSQIJBAMMYKTF-ICSRJNTNSA-N 2 0 326.440 3.164 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH+]3CCC([NH+]4CCCC4)CC3)CCO2)cc1 ZINC001168627879 1383951432 /nfs/dbraw/zinc/95/14/32/1383951432.db2.gz CFRKICJOOGVNRA-PZJWPPBQSA-N 2 0 344.499 3.476 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)C(C)C ZINC001168666422 1383964561 /nfs/dbraw/zinc/96/45/61/1383964561.db2.gz GENLDSCRGZTFFE-IBGZPJMESA-N 2 0 337.552 3.339 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)c1 ZINC001168666719 1383964687 /nfs/dbraw/zinc/96/46/87/1383964687.db2.gz JRAKYSOZLHIBNP-HXUWFJFHSA-N 2 0 347.547 3.211 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@@H](c4ccc(OC)cc4)C3)C[C@@H]2C1 ZINC001168674871 1383967437 /nfs/dbraw/zinc/96/74/37/1383967437.db2.gz ZVILTLRPLGSRBU-RCLSDMTESA-N 2 0 344.499 3.189 20 0 EGADRP Cc1ccc(F)cc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001307483590 1383996880 /nfs/dbraw/zinc/99/68/80/1383996880.db2.gz YOKHUGWOMLKOFD-GOSISDBHSA-N 2 0 347.478 3.413 20 0 EGADRP C[C@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CN1C(=O)OC(C)(C)C ZINC001168805382 1384012783 /nfs/dbraw/zinc/01/27/83/1384012783.db2.gz HBZKPAYETVSZBC-DOTOQJQBSA-N 2 0 339.524 3.368 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168810097 1384014675 /nfs/dbraw/zinc/01/46/75/1384014675.db2.gz ZGEGWKLKGODCNY-DOTOQJQBSA-N 2 0 339.524 3.094 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001169096209 1384106395 /nfs/dbraw/zinc/10/63/95/1384106395.db2.gz VUOXRKMYPLETEV-LUKYLMHMSA-N 2 0 335.289 3.131 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3F)CCOCC1)C2 ZINC001169116892 1384109034 /nfs/dbraw/zinc/10/90/34/1384109034.db2.gz SPMOISUMKZAYMF-LDLYASANSA-N 2 0 346.490 3.380 20 0 EGADRP CCn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC001308207576 1384109240 /nfs/dbraw/zinc/10/92/40/1384109240.db2.gz FRVKTUFMGHHPRB-QGZVFWFLSA-N 2 0 326.488 3.392 20 0 EGADRP COc1cccc(CC2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCOCC2)c1 ZINC001169117359 1384109243 /nfs/dbraw/zinc/10/92/43/1384109243.db2.gz ZBUPUVZUSXVGSY-LDLYASANSA-N 2 0 344.499 3.002 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001169152235 1384115741 /nfs/dbraw/zinc/11/57/41/1384115741.db2.gz AAFUAYKMUNSCRM-AERCQKQUSA-N 2 0 339.527 3.210 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001169153642 1384116061 /nfs/dbraw/zinc/11/60/61/1384116061.db2.gz KQGAQHSRWXDOHR-MLBCHFTJSA-N 2 0 339.527 3.066 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160919 1384117388 /nfs/dbraw/zinc/11/73/88/1384117388.db2.gz MSAJJHCQJXCFHP-YSTOQKLRSA-N 2 0 342.483 3.067 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2ccc(OCc3ccccn3)cc2)CC1 ZINC001169233421 1384125199 /nfs/dbraw/zinc/12/51/99/1384125199.db2.gz QFOYVRRZEOIQKK-UHFFFAOYSA-N 2 0 339.483 3.277 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001169233932 1384125674 /nfs/dbraw/zinc/12/56/74/1384125674.db2.gz YNBDXIHKYWKJFU-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP CC[NH+]1CCC([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC1 ZINC001169241288 1384126491 /nfs/dbraw/zinc/12/64/91/1384126491.db2.gz SHPZAXCXPMIMEC-UHFFFAOYSA-N 2 0 329.488 3.168 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC001308633777 1384138020 /nfs/dbraw/zinc/13/80/20/1384138020.db2.gz CATZDPFFATYZGV-UYAOXDASSA-N 2 0 329.532 3.361 20 0 EGADRP CCCC[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC001308777739 1384149382 /nfs/dbraw/zinc/14/93/82/1384149382.db2.gz OCLJWGDRTSWKFK-CEWLAPEOSA-N 2 0 330.516 3.354 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001169457869 1384150236 /nfs/dbraw/zinc/15/02/36/1384150236.db2.gz XPDIVUFNJMMLHO-ZWKOTPCHSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c[nH+]ccc1N1CCOCC1 ZINC001169698506 1384174776 /nfs/dbraw/zinc/17/47/76/1384174776.db2.gz RGRYKEBGONQPDH-QGZVFWFLSA-N 2 0 338.455 3.158 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001169798915 1384187414 /nfs/dbraw/zinc/18/74/14/1384187414.db2.gz SPKVIAZWCVFQCD-UYAOXDASSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808736 1384187777 /nfs/dbraw/zinc/18/77/77/1384187777.db2.gz DLBCNIACSXGYCX-MJGOQNOKSA-N 2 0 349.563 3.316 20 0 EGADRP C1=CC[C@H](C[NH+]2CCC([NH2+][C@H]3CCCC4(C3)OCCO4)CC2)CC1 ZINC001169937176 1384201676 /nfs/dbraw/zinc/20/16/76/1384201676.db2.gz VJCFFWVWALNXHW-HKUYNNGSSA-N 2 0 334.504 3.082 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001170233885 1384272188 /nfs/dbraw/zinc/27/21/88/1384272188.db2.gz RNTPDLOQWHJTQT-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001170235127 1384273145 /nfs/dbraw/zinc/27/31/45/1384273145.db2.gz YSMVQTGBWQKJQU-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170474325 1384326798 /nfs/dbraw/zinc/32/67/98/1384326798.db2.gz HQWTXQMQHNXWNS-FPCVCCKLSA-N 2 0 327.513 3.128 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cn(-c3ccncc3F)c3ccccc23)CC1 ZINC001170528330 1384336049 /nfs/dbraw/zinc/33/60/49/1384336049.db2.gz LUUYYBBIUDCEQG-UHFFFAOYSA-N 2 0 338.430 3.130 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170768955 1384382611 /nfs/dbraw/zinc/38/26/11/1384382611.db2.gz BGMYEPGVLPEWLD-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001170783849 1384384286 /nfs/dbraw/zinc/38/42/86/1384384286.db2.gz ABPODRSITWYIFP-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170785467 1384384321 /nfs/dbraw/zinc/38/43/21/1384384321.db2.gz MNBKBMWKKXFFJQ-MJGOQNOKSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862582 1384400806 /nfs/dbraw/zinc/40/08/06/1384400806.db2.gz OSEXUWJRICKEFL-YQVWRLOYSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001171119910 1384449866 /nfs/dbraw/zinc/44/98/66/1384449866.db2.gz KOVDKPQKFXILSQ-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171162586 1384458566 /nfs/dbraw/zinc/45/85/66/1384458566.db2.gz YTNCBNHGPWRRMK-RBUKOAKNSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(C)c4c(n3)CC[NH2+]C4)c2c1 ZINC001171166418 1384458703 /nfs/dbraw/zinc/45/87/03/1384458703.db2.gz VRCNMMFVPATJJL-HNNXBMFYSA-N 2 0 334.467 3.178 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171234978 1384476209 /nfs/dbraw/zinc/47/62/09/1384476209.db2.gz AVZVHBGSWBAIAO-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235679 1384476522 /nfs/dbraw/zinc/47/65/22/1384476522.db2.gz INUXCZIDGYXLAQ-ZWKOTPCHSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171248357 1384478472 /nfs/dbraw/zinc/47/84/72/1384478472.db2.gz TULRUSGHGXPWSR-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001171254537 1384479950 /nfs/dbraw/zinc/47/99/50/1384479950.db2.gz TYTGBRDXZSXMDE-FXAWDEMLSA-N 2 0 345.531 3.100 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171325855 1384495281 /nfs/dbraw/zinc/49/52/81/1384495281.db2.gz FGMPUWXFNGZQOA-XHSDSOJGSA-N 2 0 348.918 3.480 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171414817 1384517313 /nfs/dbraw/zinc/51/73/13/1384517313.db2.gz WKGBDBGDNAGLLK-ZHALLVOQSA-N 2 0 346.490 3.434 20 0 EGADRP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001335764572 1388927031 /nfs/dbraw/zinc/92/70/31/1388927031.db2.gz OBCOFAGIXNOCJJ-YWTNHNAXSA-N 2 0 336.520 3.208 20 0 EGADRP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001316703532 1384530704 /nfs/dbraw/zinc/53/07/04/1384530704.db2.gz HAXNMWZSMWGDMX-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001171509903 1384546238 /nfs/dbraw/zinc/54/62/38/1384546238.db2.gz VPVVMDZQMGIAHB-FUHWJXTLSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001171586327 1384572325 /nfs/dbraw/zinc/57/23/25/1384572325.db2.gz LRMGIEBGVZNXIU-SFHVURJKSA-N 2 0 347.547 3.490 20 0 EGADRP C[NH+]1C(C)(C)CC([NH+]2CCN(c3ccc(O)cc3)CC2)CC1(C)C ZINC001171629843 1384585592 /nfs/dbraw/zinc/58/55/92/1384585592.db2.gz WXRGOKBRWHYCMX-UHFFFAOYSA-N 2 0 331.504 3.166 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]([C@H](N)C(F)(F)F)C2)CC1(C)C ZINC001171631101 1384586436 /nfs/dbraw/zinc/58/64/36/1384586436.db2.gz WEVCJMHQKFEPTO-JSGCOSHPSA-N 2 0 335.458 3.239 20 0 EGADRP C[NH+]1C(C)(C)CC(NC(=[NH2+])c2cnc3ccc(F)cn23)CC1(C)C ZINC001171631316 1384586517 /nfs/dbraw/zinc/58/65/17/1384586517.db2.gz ZFKIIBXTJAVIMZ-UHFFFAOYSA-N 2 0 331.439 3.040 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC2(c3ccncc3)CCOCC2)CC1(C)C ZINC001171630125 1384586645 /nfs/dbraw/zinc/58/66/45/1384586645.db2.gz JYIGVLYTQVMFMF-UHFFFAOYSA-N 2 0 345.531 3.371 20 0 EGADRP C[NH+]1C(C)(C)CC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1(C)C ZINC001171636527 1384587511 /nfs/dbraw/zinc/58/75/11/1384587511.db2.gz HFUCDOGVVZOPKS-UHFFFAOYSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001171724988 1384614707 /nfs/dbraw/zinc/61/47/07/1384614707.db2.gz BPFMNFKCNBUGMI-OAHLLOKOSA-N 2 0 339.911 3.229 20 0 EGADRP Cc1ncn([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001171728934 1384615566 /nfs/dbraw/zinc/61/55/66/1384615566.db2.gz SFMCMCJARIYNTG-CRAIPNDOSA-N 2 0 344.528 3.219 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001171731375 1384617525 /nfs/dbraw/zinc/61/75/25/1384617525.db2.gz FKZCTFDSWHQOHC-UHFFFAOYSA-N 2 0 347.547 3.213 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+]([C@H]2Cc3cccc(F)c3C2)C2CCOCC2)CC1 ZINC001171786605 1384636459 /nfs/dbraw/zinc/63/64/59/1384636459.db2.gz CHHIFRPYZZFODA-BQFCYCMXSA-N 2 0 332.463 3.044 20 0 EGADRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788606 1384637530 /nfs/dbraw/zinc/63/75/30/1384637530.db2.gz SMCPRITWNHASIS-GOSISDBHSA-N 2 0 342.433 3.468 20 0 EGADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171828685 1384652668 /nfs/dbraw/zinc/65/26/68/1384652668.db2.gz MDMJJZAXLKAHNC-MRXNPFEDSA-N 2 0 339.524 3.369 20 0 EGADRP CC[N@H+](C)C1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171906830 1384677533 /nfs/dbraw/zinc/67/75/33/1384677533.db2.gz MLRJAAVPWALRRA-FQEVSTJZSA-N 2 0 343.515 3.097 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171918897 1384681878 /nfs/dbraw/zinc/68/18/78/1384681878.db2.gz TYSZHVIEOONFQO-QGZVFWFLSA-N 2 0 325.541 3.316 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171924461 1384683834 /nfs/dbraw/zinc/68/38/34/1384683834.db2.gz PEOLNAXLERLIOI-KRWDZBQOSA-N 2 0 333.520 3.079 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929031 1384685637 /nfs/dbraw/zinc/68/56/37/1384685637.db2.gz CMQDHCMFIAGONP-LJEUOOAZSA-N 2 0 343.943 3.268 20 0 EGADRP CC1(C)C[C@@H]([NH+]2CCC(C)(C(N)=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171985207 1384703300 /nfs/dbraw/zinc/70/33/00/1384703300.db2.gz TWMTVRSUYNPZTG-SFHVURJKSA-N 2 0 343.515 3.017 20 0 EGADRP CC1(C)C[C@H](N2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985777 1384704063 /nfs/dbraw/zinc/70/40/63/1384704063.db2.gz ZQFJIVXGRANGPX-WOJBJXKFSA-N 2 0 327.516 3.210 20 0 EGADRP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984646 1384704667 /nfs/dbraw/zinc/70/46/67/1384704667.db2.gz WXRRRRBRTRBOOM-QRVBRYPASA-N 2 0 344.499 3.361 20 0 EGADRP CCOC(=O)[C@@H](C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065002 1384716203 /nfs/dbraw/zinc/71/62/03/1384716203.db2.gz GYZAWOYPEQZPKO-FRYIKTPZSA-N 2 0 344.499 3.361 20 0 EGADRP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065402 1384717067 /nfs/dbraw/zinc/71/70/67/1384717067.db2.gz MMJICSWAEGLMMS-CCQCEHTISA-N 2 0 342.483 3.113 20 0 EGADRP Cc1cc(C)c(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001316947899 1384720226 /nfs/dbraw/zinc/72/02/26/1384720226.db2.gz BSFSJAORWBNIEV-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316949532 1384722086 /nfs/dbraw/zinc/72/20/86/1384722086.db2.gz UNCLLDSZRIFROH-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001172103415 1384726743 /nfs/dbraw/zinc/72/67/43/1384726743.db2.gz ULCVIPFWMDOHGC-MZADTFQBSA-N 2 0 345.506 3.395 20 0 EGADRP CCOC(=O)CCc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172113474 1384731147 /nfs/dbraw/zinc/73/11/47/1384731147.db2.gz HNKVIQPYSGSRDM-ACDBMABISA-N 2 0 344.499 3.287 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112550 1384731212 /nfs/dbraw/zinc/73/12/12/1384731212.db2.gz XLIFKXJWHBDINA-YXOJAJARSA-N 2 0 342.531 3.169 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1cccc(F)c1)C2 ZINC001172115605 1384731321 /nfs/dbraw/zinc/73/13/21/1384731321.db2.gz TUZLFJXENBKHRN-REPLKXPHSA-N 2 0 342.462 3.175 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccc(F)cc3)CC1)C2 ZINC001172115227 1384731465 /nfs/dbraw/zinc/73/14/65/1384731465.db2.gz SKABBYOKLFPQBV-BWTSREIZSA-N 2 0 331.479 3.091 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1OC1CCOCC1)C2 ZINC001172117912 1384733630 /nfs/dbraw/zinc/73/36/30/1384733630.db2.gz ORYFGQINLSTDGA-LDLYASANSA-N 2 0 344.499 3.349 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124948 1384734388 /nfs/dbraw/zinc/73/43/88/1384734388.db2.gz NCTIWWPYVROBMY-PBASOCQRSA-N 2 0 327.516 3.208 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(COc4ccccc43)CC1)C2 ZINC001172122433 1384735092 /nfs/dbraw/zinc/73/50/92/1384735092.db2.gz BBLXUDSNZMTAOY-BCDXTJNWSA-N 2 0 326.484 3.428 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172161237 1384740268 /nfs/dbraw/zinc/74/02/68/1384740268.db2.gz UJJWUPCJNNAPGU-OWYHZJEWSA-N 2 0 333.520 3.044 20 0 EGADRP COCCC[NH+]1CCC([NH2+]Cc2cccc(N3CCCCC3)c2)CC1 ZINC001172242452 1384754181 /nfs/dbraw/zinc/75/41/81/1384754181.db2.gz CHSSYNAIRXMFJG-UHFFFAOYSA-N 2 0 345.531 3.267 20 0 EGADRP COCCC[NH+]1CCC(n2c(C)c(CC[NH3+])c3ccccc32)CC1 ZINC001172243937 1384754892 /nfs/dbraw/zinc/75/48/92/1384754892.db2.gz JPMGYCZOKHKFFV-UHFFFAOYSA-N 2 0 329.488 3.124 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2)C1CCC1 ZINC001316998286 1384755815 /nfs/dbraw/zinc/75/58/15/1384755815.db2.gz KRUYCIIBNZAHOM-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP C[NH2+]Cc1cn(C2CC[NH+](CCCOC)CC2)c2ccc(C)cc12 ZINC001172253633 1384757246 /nfs/dbraw/zinc/75/72/46/1384757246.db2.gz YFADDZGAUSUTSQ-UHFFFAOYSA-N 2 0 329.488 3.343 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001317004691 1384764810 /nfs/dbraw/zinc/76/48/10/1384764810.db2.gz CGXIGLLEZGPANV-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001172334832 1384772809 /nfs/dbraw/zinc/77/28/09/1384772809.db2.gz JCHJHLXAYCOXIH-IRXDYDNUSA-N 2 0 326.525 3.061 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172376440 1384780550 /nfs/dbraw/zinc/78/05/50/1384780550.db2.gz UHIZKGNUVRKQLQ-KZEVZHLLSA-N 2 0 334.548 3.491 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172379912 1384782225 /nfs/dbraw/zinc/78/22/25/1384782225.db2.gz UHIZKGNUVRKQLQ-MIGBRYPXSA-N 2 0 334.548 3.491 20 0 EGADRP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317037402 1384808567 /nfs/dbraw/zinc/80/85/67/1384808567.db2.gz RPRGNJDIYWRFLJ-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001317041106 1384814118 /nfs/dbraw/zinc/81/41/18/1384814118.db2.gz TWTFUMGHRHQNEC-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCCC[C@H]1C[C@H]([NH2+]C2CC([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172627282 1384822542 /nfs/dbraw/zinc/82/25/42/1384822542.db2.gz OEFXBLHUZLHFED-KNIAUWFNSA-N 2 0 325.497 3.024 20 0 EGADRP CCCC[C@@H]1C[C@@H](N2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640493 1384824995 /nfs/dbraw/zinc/82/49/95/1384824995.db2.gz OGRGURVXEQBDKP-IXDOHACOSA-N 2 0 339.524 3.368 20 0 EGADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001172717683 1384836182 /nfs/dbraw/zinc/83/61/82/1384836182.db2.gz RILHASBCUNXJOO-FQEVSTJZSA-N 2 0 348.918 3.288 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723121 1384839180 /nfs/dbraw/zinc/83/91/80/1384839180.db2.gz OHAHKZUICPAKNY-SFHVURJKSA-N 2 0 327.859 3.333 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754592 1384843928 /nfs/dbraw/zinc/84/39/28/1384843928.db2.gz XIOYQTOAPAHFJM-WDSOQIARSA-N 2 0 347.503 3.274 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172754786 1384844214 /nfs/dbraw/zinc/84/42/14/1384844214.db2.gz YEYNNUMESFCANP-QGZVFWFLSA-N 2 0 347.503 3.004 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001172778500 1384849777 /nfs/dbraw/zinc/84/97/77/1384849777.db2.gz MQPOKSUZSLURTJ-ROUUACIJSA-N 2 0 338.536 3.456 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001172782905 1384851765 /nfs/dbraw/zinc/85/17/65/1384851765.db2.gz RQKWNBVOYRDRKG-MOPGFXCFSA-N 2 0 344.499 3.144 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001172799641 1384854786 /nfs/dbraw/zinc/85/47/86/1384854786.db2.gz QCSBJFMNSQAHSW-IAGOWNOFSA-N 2 0 336.520 3.495 20 0 EGADRP CO[C@@H]1CCC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001172939515 1384883856 /nfs/dbraw/zinc/88/38/56/1384883856.db2.gz RDIAIEASTGEIFN-XSDIEEQYSA-N 2 0 328.500 3.316 20 0 EGADRP C[C@@H]1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001173067568 1384905692 /nfs/dbraw/zinc/90/56/92/1384905692.db2.gz BWMNCHHDKUQZRH-NVXWUHKLSA-N 2 0 339.524 3.048 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001317140727 1384908436 /nfs/dbraw/zinc/90/84/36/1384908436.db2.gz SFQUTDIHVKOUGN-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001173101060 1384914905 /nfs/dbraw/zinc/91/49/05/1384914905.db2.gz CFCMMFGUQZVLBC-UHFFFAOYSA-N 3 0 347.547 3.370 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cn(Cc3ccccn3)cn2)CC1 ZINC001173106805 1384916061 /nfs/dbraw/zinc/91/60/61/1384916061.db2.gz SPZHBYDOHVGYOP-UHFFFAOYSA-N 2 0 341.503 3.069 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@]3(C2)CCCCN3C(C)=O)CC1 ZINC001173111307 1384916830 /nfs/dbraw/zinc/91/68/30/1384916830.db2.gz BFDWLPKDVBLBJB-MHJFOBGBSA-N 2 0 335.536 3.116 20 0 EGADRP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC([NH+](CC)CC)CC1)C2 ZINC001173110944 1384917274 /nfs/dbraw/zinc/91/72/74/1384917274.db2.gz PORYCLVFUFYQII-GHBBCFCZSA-N 2 0 338.536 3.299 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173115121 1384917706 /nfs/dbraw/zinc/91/77/06/1384917706.db2.gz WUOFMUOFVSJBQX-UHFFFAOYSA-N 2 0 339.524 3.191 20 0 EGADRP CCC[N@H+](C1CCC([NH+](CC)CC)CC1)C1CCN(C(C)=O)CC1 ZINC001173113026 1384917919 /nfs/dbraw/zinc/91/79/19/1384917919.db2.gz GUOKJPNOAOKMCQ-UHFFFAOYSA-N 2 0 337.552 3.362 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3ncccc3OC)C2)CC1 ZINC001173113859 1384918038 /nfs/dbraw/zinc/91/80/38/1384918038.db2.gz NFYYCNXTGAFKSW-ABHNRTSZSA-N 2 0 347.503 3.196 20 0 EGADRP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2ncsc2C1 ZINC001173135537 1384921521 /nfs/dbraw/zinc/92/15/21/1384921521.db2.gz MWIXRKABZHYQGR-HUUCEWRRSA-N 2 0 349.544 3.012 20 0 EGADRP CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279969 1384950434 /nfs/dbraw/zinc/95/04/34/1384950434.db2.gz NHKBDMNUWNSRJT-CWJKEVGVSA-N 2 0 343.515 3.183 20 0 EGADRP CCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001173351964 1384963711 /nfs/dbraw/zinc/96/37/11/1384963711.db2.gz BPVJYSXGFDOHEO-IBGZPJMESA-N 2 0 335.923 3.236 20 0 EGADRP CC[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)C1 ZINC001173355797 1384963728 /nfs/dbraw/zinc/96/37/28/1384963728.db2.gz WWENAEDWJVLTSK-ZDUSSCGKSA-N 2 0 341.377 3.308 20 0 EGADRP CCN1CC[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173365392 1384964428 /nfs/dbraw/zinc/96/44/28/1384964428.db2.gz HDNWEFQSTPGKOD-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173372802 1384965575 /nfs/dbraw/zinc/96/55/75/1384965575.db2.gz RONHLQRVKFEIAT-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC([NH+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001173366924 1384965944 /nfs/dbraw/zinc/96/59/44/1384965944.db2.gz CAFZKMPDDVSGBJ-IBGZPJMESA-N 2 0 335.923 3.330 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001173445258 1384971514 /nfs/dbraw/zinc/97/15/14/1384971514.db2.gz XQDMNZROQCQSDN-KRWDZBQOSA-N 2 0 332.488 3.144 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CC2 ZINC001173606077 1384986948 /nfs/dbraw/zinc/98/69/48/1384986948.db2.gz OCIVJQQZTFUACU-YJBCQJRQSA-N 2 0 338.536 3.489 20 0 EGADRP C[C@H](c1cccc2ccccc21)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317443198 1385144670 /nfs/dbraw/zinc/14/46/70/1385144670.db2.gz NASGUYNYBATUOA-OXQOHEQNSA-N 2 0 339.483 3.043 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001174804671 1385151246 /nfs/dbraw/zinc/15/12/46/1385151246.db2.gz CFHBETSSSVHWSC-KAGICYHLSA-N 2 0 337.552 3.482 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)C1 ZINC001174881181 1385164047 /nfs/dbraw/zinc/16/40/47/1385164047.db2.gz IUEHDMDHYLYVNX-XKJZPFPASA-N 2 0 343.943 3.126 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174947737 1385173066 /nfs/dbraw/zinc/17/30/66/1385173066.db2.gz DHQATQYQBDWLDM-ROUUACIJSA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174950689 1385173962 /nfs/dbraw/zinc/17/39/62/1385173962.db2.gz YGTFWDSPGLHYKP-MSOLQXFVSA-N 2 0 327.557 3.275 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H](CC)c1ccccc1 ZINC001317511969 1385223363 /nfs/dbraw/zinc/22/33/63/1385223363.db2.gz GHALTFFXTVPPTH-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175265027 1385234542 /nfs/dbraw/zinc/23/45/42/1385234542.db2.gz WTRMLHLRKWTTGA-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264355 1385234620 /nfs/dbraw/zinc/23/46/20/1385234620.db2.gz UAAZBYREUFMYIS-MSOLQXFVSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273742 1385238061 /nfs/dbraw/zinc/23/80/61/1385238061.db2.gz VPXCMSKQZYPWFX-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCCCC1 ZINC001317637024 1385367332 /nfs/dbraw/zinc/36/73/32/1385367332.db2.gz UWWUXLKDDFKHLV-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)C(C)C ZINC001175747458 1385394538 /nfs/dbraw/zinc/39/45/38/1385394538.db2.gz PHVJBCBGGBLNEG-WMZOPIPTSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3cc(OC)c(C)c[nH+]3)cc2)CC1 ZINC001175782080 1385403397 /nfs/dbraw/zinc/40/33/97/1385403397.db2.gz MGWZRCZKYQUWPW-UHFFFAOYSA-N 2 0 326.444 3.284 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001175786362 1385405870 /nfs/dbraw/zinc/40/58/70/1385405870.db2.gz JVFTZRAZVKTBGG-ROUUACIJSA-N 2 0 333.520 3.354 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001317769753 1385460506 /nfs/dbraw/zinc/46/05/06/1385460506.db2.gz JYECLTRUGNFISX-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001317771323 1385462730 /nfs/dbraw/zinc/46/27/30/1385462730.db2.gz YQPJOPHLXHTBBN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001176022989 1385463437 /nfs/dbraw/zinc/46/34/37/1385463437.db2.gz FAOKWDKQYAGDIB-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165789 1385500981 /nfs/dbraw/zinc/50/09/81/1385500981.db2.gz OSABHXDQEIBIBJ-PKOBYXMFSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176167438 1385501055 /nfs/dbraw/zinc/50/10/55/1385501055.db2.gz ZLIDVJZBWQTWSC-UYAOXDASSA-N 2 0 349.563 3.483 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176268981 1385532562 /nfs/dbraw/zinc/53/25/62/1385532562.db2.gz OZCLQDPPVCXKAS-SFHVURJKSA-N 2 0 333.520 3.183 20 0 EGADRP C[NH+](C)CCn1cc(Nc2ccc(CC[NH+]3CCCCC3)cc2)cn1 ZINC001176453546 1385592476 /nfs/dbraw/zinc/59/24/76/1385592476.db2.gz BUAFIFYTLUQFGP-UHFFFAOYSA-N 2 0 341.503 3.217 20 0 EGADRP c1nn(CC[NH+]2CCCC2)cc1Nc1ccccc1C[NH+]1CCCC1 ZINC001176558651 1385624898 /nfs/dbraw/zinc/62/48/98/1385624898.db2.gz JCJDTZWDVKVQEW-UHFFFAOYSA-N 2 0 339.487 3.318 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564195 1385626611 /nfs/dbraw/zinc/62/66/11/1385626611.db2.gz MVQVHHZYIWRBJW-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001176582566 1385631742 /nfs/dbraw/zinc/63/17/42/1385631742.db2.gz HPEOJZKDIGTTLC-YLJYHZDGSA-N 2 0 343.515 3.034 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001176591292 1385634851 /nfs/dbraw/zinc/63/48/51/1385634851.db2.gz JLMIBVQFYFTVHW-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629149 1385643420 /nfs/dbraw/zinc/64/34/20/1385643420.db2.gz SNFNEYUMTSMTTD-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001318299533 1385643716 /nfs/dbraw/zinc/64/37/16/1385643716.db2.gz FAIVUUOJDVJTOR-IBGZPJMESA-N 2 0 345.531 3.016 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754871 1385684983 /nfs/dbraw/zinc/68/49/83/1385684983.db2.gz ZTIOHBWBTVOBCK-LJQANCHMSA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318429734 1385685989 /nfs/dbraw/zinc/68/59/89/1385685989.db2.gz SMRVEVBNKQEAOL-ROUUACIJSA-N 2 0 339.568 3.179 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176759915 1385687273 /nfs/dbraw/zinc/68/72/73/1385687273.db2.gz ODVGNXNLPYUHRF-LJQANCHMSA-N 2 0 347.547 3.224 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176813733 1385711187 /nfs/dbraw/zinc/71/11/87/1385711187.db2.gz BAKGVTGMPPADRM-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815285 1385711839 /nfs/dbraw/zinc/71/18/39/1385711839.db2.gz PCBQOSQEMBALEJ-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CCCC2CCC2)c1 ZINC001176890035 1385734140 /nfs/dbraw/zinc/73/41/40/1385734140.db2.gz KNFQUPMPJPQQMT-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)[NH+]1CCCC1 ZINC001176998860 1385769092 /nfs/dbraw/zinc/76/90/92/1385769092.db2.gz ITIPRBALUWZDLF-ACBHZAAOSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001177342688 1385921623 /nfs/dbraw/zinc/92/16/23/1385921623.db2.gz UMIDJQPRCQOAES-IBGZPJMESA-N 2 0 339.568 3.227 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001177348206 1385922982 /nfs/dbraw/zinc/92/29/82/1385922982.db2.gz CPDIWRLQRMOZJZ-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001177378908 1385935571 /nfs/dbraw/zinc/93/55/71/1385935571.db2.gz OGBKOJYMPYWRHK-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177402634 1385944293 /nfs/dbraw/zinc/94/42/93/1385944293.db2.gz RXRDDDKCOCDIQI-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177415659 1385948336 /nfs/dbraw/zinc/94/83/36/1385948336.db2.gz HMZWWBUGYOWIPN-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001319113318 1385964308 /nfs/dbraw/zinc/96/43/08/1385964308.db2.gz IUWDDIQEDHBXNT-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CCC[NH2+]CC(C)C)CC1CCCC1 ZINC001177466849 1385966463 /nfs/dbraw/zinc/96/64/63/1385966463.db2.gz GMDINUDWLAQHCD-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282268 1386040983 /nfs/dbraw/zinc/04/09/83/1386040983.db2.gz JLJKQNUILPOBBB-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H](Cc1cccs1)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319291718 1386047354 /nfs/dbraw/zinc/04/73/54/1386047354.db2.gz VOUJTPXAJQNMNV-INIZCTEOSA-N 2 0 329.513 3.221 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045027 1386114617 /nfs/dbraw/zinc/11/46/17/1386114617.db2.gz ARBPUMQRFCGRCD-ICSRJNTNSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502118 1386236847 /nfs/dbraw/zinc/23/68/47/1386236847.db2.gz IRRNCAJCXUOZAK-SFHVURJKSA-N 2 0 337.552 3.031 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178612101 1386261808 /nfs/dbraw/zinc/26/18/08/1386261808.db2.gz AUNWHPVMNKEWMP-QGZVFWFLSA-N 2 0 345.547 3.369 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)CC ZINC001178633659 1386265412 /nfs/dbraw/zinc/26/54/12/1386265412.db2.gz CPZNPJVBICWNBX-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178633630 1386265426 /nfs/dbraw/zinc/26/54/26/1386265426.db2.gz BOFJDKWVCZKACX-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178634532 1386266165 /nfs/dbraw/zinc/26/61/65/1386266165.db2.gz YJGMQAUQHSLQKD-ZMBJWTFHSA-N 2 0 337.552 3.483 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178689495 1386278793 /nfs/dbraw/zinc/27/87/93/1386278793.db2.gz ZKJFLANDLYODHS-IBGZPJMESA-N 2 0 339.568 3.421 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1CC1 ZINC001178698482 1386281599 /nfs/dbraw/zinc/28/15/99/1386281599.db2.gz IWKKGVKGBZSYCR-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178729351 1386291790 /nfs/dbraw/zinc/29/17/90/1386291790.db2.gz VHBKJEBNACILQT-HMECNJMJSA-N 2 0 337.552 3.483 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC001178816179 1386315796 /nfs/dbraw/zinc/31/57/96/1386315796.db2.gz VSXPTRWILCFZGY-HXUWFJFHSA-N 2 0 347.547 3.410 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178828701 1386319968 /nfs/dbraw/zinc/31/99/68/1386319968.db2.gz YCYLOQMWAJJQDV-UEKDZROGSA-N 2 0 337.552 3.483 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178854212 1386329312 /nfs/dbraw/zinc/32/93/12/1386329312.db2.gz ZAXTTYRLRZTZHT-UHFFFAOYSA-N 2 0 333.520 3.183 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178926121 1386350836 /nfs/dbraw/zinc/35/08/36/1386350836.db2.gz PSFMNPJYDDIINF-IHPCNDPISA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001319904479 1386379583 /nfs/dbraw/zinc/37/95/83/1386379583.db2.gz GOFAUTAIZQBDIK-IXDOHACOSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001179134156 1386407246 /nfs/dbraw/zinc/40/72/46/1386407246.db2.gz GXAMQCBDSPJQSG-UHFFFAOYSA-N 2 0 347.547 3.327 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001320016346 1386453878 /nfs/dbraw/zinc/45/38/78/1386453878.db2.gz OPAAOJPSINRQMU-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC001179338147 1386455769 /nfs/dbraw/zinc/45/57/69/1386455769.db2.gz DDLCLRGPEXXCOW-QFBILLFUSA-N 2 0 334.467 3.421 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001179393147 1386473484 /nfs/dbraw/zinc/47/34/84/1386473484.db2.gz RRRVPQWIRRJONI-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001179400371 1386475138 /nfs/dbraw/zinc/47/51/38/1386475138.db2.gz NDBDYQJSGKSVCR-GXDHUFHOSA-N 2 0 345.531 3.308 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179498938 1386499430 /nfs/dbraw/zinc/49/94/30/1386499430.db2.gz JHFDNYXOTBOYQW-LKGOPFMKSA-N 2 0 325.541 3.195 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580673 1386522585 /nfs/dbraw/zinc/52/25/85/1386522585.db2.gz LXRJHBHQEHVWTB-LJQANCHMSA-N 2 0 345.531 3.246 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001179585710 1386523883 /nfs/dbraw/zinc/52/38/83/1386523883.db2.gz JRXQJGJUUCVXRN-OALUTQOASA-N 2 0 345.531 3.356 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCC2CCCC2)C1 ZINC001179585757 1386524431 /nfs/dbraw/zinc/52/44/31/1386524431.db2.gz KUEQDDAZYRESIK-SFHVURJKSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179591648 1386526506 /nfs/dbraw/zinc/52/65/06/1386526506.db2.gz ZRBNNAKTDGTIAH-IEBWSBKVSA-N 2 0 337.552 3.031 20 0 EGADRP Cc1c(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)ccc2c[nH+]cn21 ZINC001320146089 1386534821 /nfs/dbraw/zinc/53/48/21/1386534821.db2.gz VGIBWWODQADFEK-GOSISDBHSA-N 2 0 346.434 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H]1C ZINC001179763340 1386575302 /nfs/dbraw/zinc/57/53/02/1386575302.db2.gz HWSHZWUBGLQASE-LMRKYDFJSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179777476 1386581932 /nfs/dbraw/zinc/58/19/32/1386581932.db2.gz XIGREUMPCGPFKA-INIZCTEOSA-N 2 0 334.508 3.045 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788306 1386586905 /nfs/dbraw/zinc/58/69/05/1386586905.db2.gz VHGSCWZAQASJFO-OALUTQOASA-N 2 0 335.536 3.236 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCCCCC[NH2+]CC2CC2)cc1 ZINC001179832345 1386599956 /nfs/dbraw/zinc/59/99/56/1386599956.db2.gz YCDOUAPICZSDDS-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179852372 1386607610 /nfs/dbraw/zinc/60/76/10/1386607610.db2.gz LWXNGKGBNZJJDZ-BJLQDIEVSA-N 2 0 345.531 3.285 20 0 EGADRP CC1CC[NH+](CC(=O)NCCCCCC[NH2+]CCCCCF)CC1 ZINC001179892176 1386620391 /nfs/dbraw/zinc/62/03/91/1386620391.db2.gz WGDNZBVHCFHEOD-UHFFFAOYSA-N 2 0 343.531 3.124 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179896719 1386621226 /nfs/dbraw/zinc/62/12/26/1386621226.db2.gz AWTODASJYOERIE-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCCC2CCC2)C1 ZINC001180060554 1386683707 /nfs/dbraw/zinc/68/37/07/1386683707.db2.gz HHCFHFKVVWYBND-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065586 1386685594 /nfs/dbraw/zinc/68/55/94/1386685594.db2.gz UXPNJFXIYCMUHB-MSOLQXFVSA-N 2 0 325.541 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068198 1386686398 /nfs/dbraw/zinc/68/63/98/1386686398.db2.gz BYUHZACZEZBKBS-PLNGDYQASA-N 2 0 335.536 3.095 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001180124642 1386704720 /nfs/dbraw/zinc/70/47/20/1386704720.db2.gz ZTCLABRHAVXYSN-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCNc1ccccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001180136848 1386710132 /nfs/dbraw/zinc/71/01/32/1386710132.db2.gz OAWSRNAMKSEWAK-UHFFFAOYSA-N 2 0 344.547 3.109 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320929538 1386762107 /nfs/dbraw/zinc/76/21/07/1386762107.db2.gz RFMZIZLACGATTA-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180352043 1386771667 /nfs/dbraw/zinc/77/16/67/1386771667.db2.gz MPJHSXJJZVDWBE-HDICACEKSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001180369405 1386775871 /nfs/dbraw/zinc/77/58/71/1386775871.db2.gz DCNGPKXUYRBKEC-MRXNPFEDSA-N 2 0 347.494 3.028 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369615 1386776782 /nfs/dbraw/zinc/77/67/82/1386776782.db2.gz NZTHJNRBBBGDSM-BQYQJAHWSA-N 2 0 325.541 3.339 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001180369675 1386776963 /nfs/dbraw/zinc/77/69/63/1386776963.db2.gz RSQLEJVARSKYNF-KAMYIIQDSA-N 2 0 345.531 3.306 20 0 EGADRP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001321356411 1386884859 /nfs/dbraw/zinc/88/48/59/1386884859.db2.gz YXIMDSAKWVQZBE-JKSUJKDBSA-N 2 0 333.545 3.228 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181440456 1386995278 /nfs/dbraw/zinc/99/52/78/1386995278.db2.gz GPUUWCYGRGMKAQ-QLUPPNIVSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001321875813 1387001770 /nfs/dbraw/zinc/00/17/70/1387001770.db2.gz KEHIGWYTMRBUDF-IRXDYDNUSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@]1(C)C[NH2+]CCC1CCCC1 ZINC001181745531 1387049757 /nfs/dbraw/zinc/04/97/57/1387049757.db2.gz HQSOMZGVAJLRMG-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)cc1 ZINC001322353703 1387167085 /nfs/dbraw/zinc/16/70/85/1387167085.db2.gz GZKRTFMOXMOCQQ-WOJBJXKFSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001182473506 1387172229 /nfs/dbraw/zinc/17/22/29/1387172229.db2.gz SFESMYXKFCWQMA-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H]([NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001182486056 1387175129 /nfs/dbraw/zinc/17/51/29/1387175129.db2.gz HZYKUNORZUILJR-SLYNCCJLSA-N 2 0 345.531 3.164 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)c2ccccc2)C1 ZINC001182933003 1387248065 /nfs/dbraw/zinc/24/80/65/1387248065.db2.gz GZLLBWHADIVDQJ-DBXWQHBBSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336785650 1389168904 /nfs/dbraw/zinc/16/89/04/1389168904.db2.gz QRQQKRIJLNRAOT-BBRMVZONSA-N 2 0 344.421 3.449 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001338517848 1389698724 /nfs/dbraw/zinc/69/87/24/1389698724.db2.gz GMAIZFJHSTURQV-NQIIRXRSSA-N 2 0 326.484 3.065 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001698749942 1406400820 /nfs/dbraw/zinc/40/08/20/1406400820.db2.gz YDQPOXSLRUNWAV-QAPCUYQASA-N 2 0 349.494 3.103 20 0 EGADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001340165918 1390240644 /nfs/dbraw/zinc/24/06/44/1390240644.db2.gz YIEMKHDZJJUOGY-UHFFFAOYSA-N 2 0 347.503 3.247 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001333140467 1390255501 /nfs/dbraw/zinc/25/55/01/1390255501.db2.gz IRIGLSQSPIUBLK-KKXNLOMOSA-N 2 0 345.531 3.367 20 0 EGADRP [NH3+]CC[C@H]1CN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c2ccccc21 ZINC001341525589 1390497952 /nfs/dbraw/zinc/49/79/52/1390497952.db2.gz MCAJRHDVDOKPAA-ROUUACIJSA-N 2 0 349.478 3.158 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[NH2+][C@H](C)C3)cc2)C1 ZINC001341552248 1390500845 /nfs/dbraw/zinc/50/08/45/1390500845.db2.gz KORIAUQAQHDMIU-JFIYKMOQSA-N 2 0 329.488 3.245 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001334358039 1390524404 /nfs/dbraw/zinc/52/44/04/1390524404.db2.gz WJSBUBBCKPPMBG-ZMSDIMECSA-N 2 0 328.460 3.140 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)o1 ZINC001342299713 1390598031 /nfs/dbraw/zinc/59/80/31/1390598031.db2.gz GTMVAGKSHJXYSX-OAHLLOKOSA-N 2 0 341.455 3.214 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001342399944 1390608678 /nfs/dbraw/zinc/60/86/78/1390608678.db2.gz XQBKRCBKHXGETQ-LJQANCHMSA-N 2 0 339.414 3.032 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001698831466 1406524963 /nfs/dbraw/zinc/52/49/63/1406524963.db2.gz ARBDWVSZOQSLEI-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cn3ccc(-c4ccsc4)n3)C[C@H]2C1 ZINC001352760945 1391844214 /nfs/dbraw/zinc/84/42/14/1391844214.db2.gz MWTJRBYOMUTQSU-DJIMGWMZSA-N 2 0 330.501 3.231 20 0 EGADRP C[C@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001698838021 1406533674 /nfs/dbraw/zinc/53/36/74/1406533674.db2.gz IYVGQEASFSIGDR-LXPRWKDFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001479338081 1392218777 /nfs/dbraw/zinc/21/87/77/1392218777.db2.gz IRYBAWMEDSXDFF-OTWHNJEPSA-N 2 0 337.552 3.027 20 0 EGADRP CCCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001479993663 1392525164 /nfs/dbraw/zinc/52/51/64/1392525164.db2.gz PLJSLOYRBXHHNB-LJQANCHMSA-N 2 0 337.552 3.362 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001698862973 1406574509 /nfs/dbraw/zinc/57/45/09/1406574509.db2.gz XTSUACVWKMYKSX-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP C[NH+](CC1CCC1)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480731222 1392894178 /nfs/dbraw/zinc/89/41/78/1392894178.db2.gz SELZIYBFKCTQRK-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001480770554 1392923131 /nfs/dbraw/zinc/92/31/31/1392923131.db2.gz VZURGMRQRRDDFN-FUHWJXTLSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481177377 1393142467 /nfs/dbraw/zinc/14/24/67/1393142467.db2.gz DFQPWJKMKYGYGL-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001698890545 1406623221 /nfs/dbraw/zinc/62/32/21/1406623221.db2.gz JWQHQYJXHBZCSC-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481629712 1394425177 /nfs/dbraw/zinc/42/51/77/1394425177.db2.gz TVAHLGCWQKDDOW-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[C@H]([NH2+]C/C=C/Cl)CC2)c1 ZINC001482026201 1394685141 /nfs/dbraw/zinc/68/51/41/1394685141.db2.gz UFCZSYUPDNGWCC-BBPOVEJISA-N 2 0 349.906 3.131 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CC3CCCCC3)C2)CC1 ZINC001482071432 1394734488 /nfs/dbraw/zinc/73/44/88/1394734488.db2.gz GDEXOVVLYQPFQJ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC1CC(C[NH2+]C[C@@]2(C)CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001484093035 1395246881 /nfs/dbraw/zinc/24/68/81/1395246881.db2.gz DPSZMRYWZWIMFE-WIXQSORDSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)c(C)c1 ZINC001484747097 1395501285 /nfs/dbraw/zinc/50/12/85/1395501285.db2.gz MVXSPKRDPPVXEP-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001484997983 1395640977 /nfs/dbraw/zinc/64/09/77/1395640977.db2.gz FKZIDFUJUWGEKT-KXBFYZLASA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccc(F)cc1 ZINC001485485492 1395970597 /nfs/dbraw/zinc/97/05/97/1395970597.db2.gz QWDCNOACWKNRCY-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001485960462 1396173949 /nfs/dbraw/zinc/17/39/49/1396173949.db2.gz GYTYAVKCWLVMPS-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001486211956 1396183339 /nfs/dbraw/zinc/18/33/39/1396183339.db2.gz YZKGZPYRLFIPOG-MOPGFXCFSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](CC)c1ccc(Cl)cc1)[NH+](C)C ZINC001492819276 1396325071 /nfs/dbraw/zinc/32/50/71/1396325071.db2.gz PZIJFIPCEMLDDK-IRXDYDNUSA-N 2 0 339.911 3.179 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857646 1396500254 /nfs/dbraw/zinc/50/02/54/1396500254.db2.gz UQGRXJBGDSRGKE-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001690504601 1404616634 /nfs/dbraw/zinc/61/66/34/1404616634.db2.gz GCGTXUKTXZJNMC-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1)[NH+]1CCCCC1 ZINC001691079112 1405013523 /nfs/dbraw/zinc/01/35/23/1405013523.db2.gz HQONPKPZHVOTRL-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001691228157 1405168204 /nfs/dbraw/zinc/16/82/04/1405168204.db2.gz PNYPUXVNDIGKNJ-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001691960103 1405677307 /nfs/dbraw/zinc/67/73/07/1405677307.db2.gz KSMVMQGNFITIJI-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001732086899 1428348206 /nfs/dbraw/zinc/34/82/06/1428348206.db2.gz QXANVYNSIGUSLE-FQEVSTJZSA-N 2 0 345.531 3.260 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC2(C[NH+](C(C)C)C2)CC1)c1ccccc1 ZINC001732405990 1428569108 /nfs/dbraw/zinc/56/91/08/1428569108.db2.gz XCLARGVPEKLHKO-IBGZPJMESA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001699863146 1413298092 /nfs/dbraw/zinc/29/80/92/1413298092.db2.gz KIJBTOYJWDQXGM-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001699863226 1413298861 /nfs/dbraw/zinc/29/88/61/1413298861.db2.gz MSUSFJYVMDOTLY-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001699865174 1413302138 /nfs/dbraw/zinc/30/21/38/1413302138.db2.gz WMNKSZPPQSJPFI-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001699870791 1413317549 /nfs/dbraw/zinc/31/75/49/1413317549.db2.gz BJQCLENKHAOKSZ-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699872822 1413323497 /nfs/dbraw/zinc/32/34/97/1413323497.db2.gz GIXDKXWVZZVJIL-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2c(C)cccc2C)[C@H](C)C1 ZINC001700320782 1413785860 /nfs/dbraw/zinc/78/58/60/1413785860.db2.gz ROSYKNBPVWMQKG-MOPGFXCFSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001700321297 1413787238 /nfs/dbraw/zinc/78/72/38/1413787238.db2.gz YYSVZDXATDQHAA-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001700323789 1413791926 /nfs/dbraw/zinc/79/19/26/1413791926.db2.gz MJURHXYLSFFWJS-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1c(C(=O)NC[C@@H](C)[N@H+](C)CC2CCCCC2)ccc2c[nH+]cn21 ZINC001700465458 1414071509 /nfs/dbraw/zinc/07/15/09/1414071509.db2.gz DZUVTBHAHVYKBH-OAHLLOKOSA-N 2 0 342.487 3.273 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001700756179 1414427175 /nfs/dbraw/zinc/42/71/75/1414427175.db2.gz BTNYDFBIWKQCJC-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001700802026 1414467505 /nfs/dbraw/zinc/46/75/05/1414467505.db2.gz SLXGGJBOXRIZGP-IAGOWNOFSA-N 2 0 345.531 3.015 20 0 EGADRP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC([NH2+]CCC2CCCC2)C1 ZINC001701023873 1414685177 /nfs/dbraw/zinc/68/51/77/1414685177.db2.gz RQGOXMCLBYIPRO-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC001713064588 1417622905 /nfs/dbraw/zinc/62/29/05/1417622905.db2.gz YPKQJPKDQXTFSN-SFHVURJKSA-N 2 0 349.544 3.013 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001713094289 1417642779 /nfs/dbraw/zinc/64/27/79/1417642779.db2.gz BCMSJLNOEIJGRE-PKOBYXMFSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001733055196 1429198374 /nfs/dbraw/zinc/19/83/74/1429198374.db2.gz UITGOCOQVSUCTB-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001713113684 1417676924 /nfs/dbraw/zinc/67/69/24/1417676924.db2.gz URNYEWPDAHULOD-OXQOHEQNSA-N 2 0 343.515 3.025 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713236355 1417822552 /nfs/dbraw/zinc/82/25/52/1417822552.db2.gz CXEWDBLJXSOEOV-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001733064661 1429216939 /nfs/dbraw/zinc/21/69/39/1429216939.db2.gz BASBTRYIGUDTBE-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001713417591 1418041088 /nfs/dbraw/zinc/04/10/88/1418041088.db2.gz XJGAVBCEYGHOEH-GOSISDBHSA-N 2 0 347.547 3.266 20 0 EGADRP Cc1cccc([C@@H](C)[NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001713459836 1418114591 /nfs/dbraw/zinc/11/45/91/1418114591.db2.gz OPWIOVDKXSRFRA-UYAOXDASSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713515547 1418250935 /nfs/dbraw/zinc/25/09/35/1418250935.db2.gz WXBPAZLVBOBPQN-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](CC)c1ccccc1 ZINC001713598529 1418388462 /nfs/dbraw/zinc/38/84/62/1418388462.db2.gz UJBCYJDGUBRGKH-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001713625529 1418398948 /nfs/dbraw/zinc/39/89/48/1418398948.db2.gz AFEAAKWCMRUNNL-SJLPKXTDSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001714110154 1418911260 /nfs/dbraw/zinc/91/12/60/1418911260.db2.gz XSLGCJUJNMUXQY-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714443295 1419175500 /nfs/dbraw/zinc/17/55/00/1419175500.db2.gz YXCDOESMBJVRMH-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CCC1CCCC1 ZINC001714583383 1419323294 /nfs/dbraw/zinc/32/32/94/1419323294.db2.gz GPGPUBBYFGUWBG-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1ccccc1F ZINC001714619294 1419384567 /nfs/dbraw/zinc/38/45/67/1419384567.db2.gz OISVARZNTJQJIL-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001715035818 1419770536 /nfs/dbraw/zinc/77/05/36/1419770536.db2.gz AWNMPRWMZNHBMY-MJGOQNOKSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001715388923 1420085947 /nfs/dbraw/zinc/08/59/47/1420085947.db2.gz IMGCNWXKXKJCTK-FXAWDEMLSA-N 2 0 345.531 3.210 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001715568535 1420257693 /nfs/dbraw/zinc/25/76/93/1420257693.db2.gz XZDBZVYIBCGJJT-PMACEKPBSA-N 2 0 345.531 3.020 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715734983 1420317793 /nfs/dbraw/zinc/31/77/93/1420317793.db2.gz OZVJGYWLUSQTQU-SFHVURJKSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001716501122 1420727581 /nfs/dbraw/zinc/72/75/81/1420727581.db2.gz ALJGUMRIHMRBIR-IRXDYDNUSA-N 2 0 345.531 3.015 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001716772055 1420915750 /nfs/dbraw/zinc/91/57/50/1420915750.db2.gz YRJNRKOCOMILJQ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2cccc(F)c2)CC1 ZINC001716799778 1420932978 /nfs/dbraw/zinc/93/29/78/1420932978.db2.gz MYTHKDYFISGRGS-UHFFFAOYSA-N 2 0 349.494 3.028 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001716886598 1421010240 /nfs/dbraw/zinc/01/02/40/1421010240.db2.gz WHILIXKRHOHICV-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@](C)(CNC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001716902306 1421034571 /nfs/dbraw/zinc/03/45/71/1421034571.db2.gz BPIVQSBZSDKBBB-GZNCHQMQSA-N 2 0 349.563 3.127 20 0 EGADRP CCc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001717145227 1421138071 /nfs/dbraw/zinc/13/80/71/1421138071.db2.gz QBTFHMSRDJGFLA-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2c(C)cc(C)cc2C)CCC1 ZINC001717161673 1421151730 /nfs/dbraw/zinc/15/17/30/1421151730.db2.gz OCWWOPRXDHMZPX-UHFFFAOYSA-N 2 0 345.531 3.082 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001717201940 1421169874 /nfs/dbraw/zinc/16/98/74/1421169874.db2.gz LFBWFIAXVKJYTN-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717344609 1421283670 /nfs/dbraw/zinc/28/36/70/1421283670.db2.gz UVKXERMOUAJSJT-WOJBJXKFSA-N 2 0 345.531 3.088 20 0 EGADRP CCCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717344608 1421283767 /nfs/dbraw/zinc/28/37/67/1421283767.db2.gz UVKXERMOUAJSJT-VQTJNVASSA-N 2 0 345.531 3.088 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733291160 1429469993 /nfs/dbraw/zinc/46/99/93/1429469993.db2.gz BHBAAYGSCHZJDQ-NRFANRHFSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733291163 1429470691 /nfs/dbraw/zinc/47/06/91/1429470691.db2.gz BHBAAYGSCHZJDQ-OAQYLSRUSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001717495959 1421437038 /nfs/dbraw/zinc/43/70/38/1421437038.db2.gz YUBPIYAVDNPAQF-AEFFLSMTSA-N 2 0 339.568 3.226 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717537179 1421475135 /nfs/dbraw/zinc/47/51/35/1421475135.db2.gz YYAHHTAUGZJCQE-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cccc2ccccc21 ZINC001717739904 1421603342 /nfs/dbraw/zinc/60/33/42/1421603342.db2.gz YYHLSUJZRQYHRN-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC001733331943 1429516978 /nfs/dbraw/zinc/51/69/78/1429516978.db2.gz YMEHZIAIRULUME-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001733410987 1429611516 /nfs/dbraw/zinc/61/15/16/1429611516.db2.gz HBGDKDGJVKCABK-JXFKEZNVSA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001733451214 1429663451 /nfs/dbraw/zinc/66/34/51/1429663451.db2.gz WIZNQLIHISADJS-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001723959388 1424611807 /nfs/dbraw/zinc/61/18/07/1424611807.db2.gz UZIAKBYNPGSGTM-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724172521 1424707348 /nfs/dbraw/zinc/70/73/48/1424707348.db2.gz BPYBLDQPONKZJM-UYAOXDASSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724339477 1424831898 /nfs/dbraw/zinc/83/18/98/1424831898.db2.gz CEBHZWDWZJMMDK-NRFANRHFSA-N 2 0 345.531 3.380 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001724979978 1425381493 /nfs/dbraw/zinc/38/14/93/1425381493.db2.gz RHPWHUQXCJBZPY-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCCC(C)(C)C)CC1 ZINC001725048977 1425480404 /nfs/dbraw/zinc/48/04/04/1425480404.db2.gz QMJRLYJMOATKNS-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)NC1(C2CC[NH+](CCCC3CCC3)CC2)CC1)[NH+](C)C ZINC001725796552 1426481756 /nfs/dbraw/zinc/48/17/56/1426481756.db2.gz KACVDNMQDHGYNX-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001731354865 1427295039 /nfs/dbraw/zinc/29/50/39/1427295039.db2.gz CGTZQAXEYKOGCM-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001731447014 1427424768 /nfs/dbraw/zinc/42/47/68/1427424768.db2.gz GDLCXEDJVRTTDQ-FVQBIDKESA-N 2 0 328.460 3.096 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001731628600 1427679218 /nfs/dbraw/zinc/67/92/18/1427679218.db2.gz LVKXLUXYLGKYQA-IRXDYDNUSA-N 2 0 341.499 3.337 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC)c1ccccc1 ZINC001733711025 1429927663 /nfs/dbraw/zinc/92/76/63/1429927663.db2.gz YXJZOQXQIWDMIU-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1)[NH+](C)C ZINC001733718543 1429937775 /nfs/dbraw/zinc/93/77/75/1429937775.db2.gz MOKQAFFIPPNNON-INIZCTEOSA-N 2 0 325.541 3.027 20 0 EGADRP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001733778852 1430034567 /nfs/dbraw/zinc/03/45/67/1430034567.db2.gz OVUMLGKPQRRDIW-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(CC)c2)[C@H](C)C1 ZINC001733897976 1437715569 /nfs/dbraw/zinc/71/55/69/1437715569.db2.gz BOLMIJDZQQPLOZ-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060092 1437853534 /nfs/dbraw/zinc/85/35/34/1437853534.db2.gz SMLMHADJXUFSMH-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001734065252 1437860047 /nfs/dbraw/zinc/86/00/47/1437860047.db2.gz IRTXOZYYPOFJPE-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734065889 1437860721 /nfs/dbraw/zinc/86/07/21/1437860721.db2.gz NISGXHAQJIETLW-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC([N@H+](C)CCCC3CCCC3)CC2)CCC1 ZINC001734268772 1437990150 /nfs/dbraw/zinc/99/01/50/1437990150.db2.gz AAFGVTCCZZFJQY-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001734351254 1438069144 /nfs/dbraw/zinc/06/91/44/1438069144.db2.gz AEKIKFXZYITKEA-YLJYHZDGSA-N 2 0 345.531 3.232 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001734357659 1438074603 /nfs/dbraw/zinc/07/46/03/1438074603.db2.gz SNBQBTHMTJUCLB-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1ccc(F)cc1 ZINC001752230248 1440158204 /nfs/dbraw/zinc/15/82/04/1440158204.db2.gz SMSUWQHIUUFJKS-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001752310206 1440169753 /nfs/dbraw/zinc/16/97/53/1440169753.db2.gz KWYDSYRUOROXNG-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001752396077 1440173917 /nfs/dbraw/zinc/17/39/17/1440173917.db2.gz LHAXSBBNBHOPTL-VQIMIIECSA-N 2 0 331.504 3.013 20 0 EGADRP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001752431599 1440178320 /nfs/dbraw/zinc/17/83/20/1440178320.db2.gz MRDGTKFDIBCMFV-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001752500702 1440188379 /nfs/dbraw/zinc/18/83/79/1440188379.db2.gz XYDABTSWYLVPFI-WOJBJXKFSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@@H](C[N@H+](C)CCCC2CCC2)C1)C1CCC1 ZINC001752507923 1440189783 /nfs/dbraw/zinc/18/97/83/1440189783.db2.gz ISCYMVXCPOUGKO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752527708 1440193495 /nfs/dbraw/zinc/19/34/95/1440193495.db2.gz MZMOVFPKSZIKKV-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001752545506 1440195112 /nfs/dbraw/zinc/19/51/12/1440195112.db2.gz WJFHXIVNKKDANU-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752629432 1440197042 /nfs/dbraw/zinc/19/70/42/1440197042.db2.gz XWJGKKWOEGWXNF-GUDVDZBRSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001752638951 1440197533 /nfs/dbraw/zinc/19/75/33/1440197533.db2.gz GKOHDNVSOOCJJE-QAQDUYKDSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001752699028 1440201529 /nfs/dbraw/zinc/20/15/29/1440201529.db2.gz VQBKTKFAICBBMR-QBUWPKIASA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001752709185 1440203342 /nfs/dbraw/zinc/20/33/42/1440203342.db2.gz ZRMAEFOFCZCRDG-DXPXIUTNSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752802317 1440215212 /nfs/dbraw/zinc/21/52/12/1440215212.db2.gz ZRLIFWPGFXLDEH-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001752803085 1440215308 /nfs/dbraw/zinc/21/53/08/1440215308.db2.gz CPAURWZSKAZGIS-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752815812 1440217924 /nfs/dbraw/zinc/21/79/24/1440217924.db2.gz SYYMVAYVWQYPDW-IBGZPJMESA-N 2 0 345.531 3.380 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001752818805 1440219572 /nfs/dbraw/zinc/21/95/72/1440219572.db2.gz JDLPISDGMPZEDY-RZZOZFHJSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCCC2)CCC1 ZINC001752820682 1440220345 /nfs/dbraw/zinc/22/03/45/1440220345.db2.gz GXPJOMKRFZQAGA-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001752853462 1440234262 /nfs/dbraw/zinc/23/42/62/1440234262.db2.gz KZMJTASIIJWOMQ-JXMROGBWSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001752903493 1440243642 /nfs/dbraw/zinc/24/36/42/1440243642.db2.gz PQHLIKYBINRVLT-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CCC1CCCCCC1 ZINC001752921373 1440248660 /nfs/dbraw/zinc/24/86/60/1440248660.db2.gz QSGCFORQDGNTNP-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001752921665 1440248766 /nfs/dbraw/zinc/24/87/66/1440248766.db2.gz WTHWSYXGSCUQQQ-ROUUACIJSA-N 2 0 331.504 3.026 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001752976965 1440256262 /nfs/dbraw/zinc/25/62/62/1440256262.db2.gz AQUKLTRSKQGTIS-OALUTQOASA-N 2 0 337.552 3.172 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752997715 1440263046 /nfs/dbraw/zinc/26/30/46/1440263046.db2.gz SLSLGHOJQYNDLX-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001753031712 1440273094 /nfs/dbraw/zinc/27/30/94/1440273094.db2.gz ZWTISASFSWQFNK-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC1CCC(C)CC1 ZINC001753065929 1440285558 /nfs/dbraw/zinc/28/55/58/1440285558.db2.gz DGGJTAWCAYVFCY-CTWPCTMYSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)CCC(C)(C)C ZINC001753094698 1440301679 /nfs/dbraw/zinc/30/16/79/1440301679.db2.gz GUEBOGPYQNBNCB-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753112347 1440308971 /nfs/dbraw/zinc/30/89/71/1440308971.db2.gz AVQAKVUNHVKUEX-WWAPKCSDSA-N 2 0 335.536 3.188 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753136190 1440319059 /nfs/dbraw/zinc/31/90/59/1440319059.db2.gz UJLUGZLFJRVREP-GLCUZYPYSA-N 2 0 349.563 3.434 20 0 EGADRP CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001753203140 1440338572 /nfs/dbraw/zinc/33/85/72/1440338572.db2.gz SKQYUIWUFPOLPT-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001753227661 1440340791 /nfs/dbraw/zinc/34/07/91/1440340791.db2.gz RWCAXGUFIFPAOO-LBPRGKRZSA-N 2 0 346.302 3.054 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001753241776 1440342121 /nfs/dbraw/zinc/34/21/21/1440342121.db2.gz IUHUQWBZSNDDAN-LJQANCHMSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001753283372 1440348066 /nfs/dbraw/zinc/34/80/66/1440348066.db2.gz QEFAMLCVOLZGKY-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CCCN(C(=O)[C@@]12CC[NH+](C1)CCC2)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001753321542 1440363898 /nfs/dbraw/zinc/36/38/98/1440363898.db2.gz AZNIKJYVZFREKH-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001753325507 1440366332 /nfs/dbraw/zinc/36/63/32/1440366332.db2.gz BPRZWMGZJMRERU-QZTJIDSGSA-N 2 0 339.568 3.323 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753337339 1440373312 /nfs/dbraw/zinc/37/33/12/1440373312.db2.gz LYKACFAWMUMTLS-RTBURBONSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001753358163 1440381075 /nfs/dbraw/zinc/38/10/75/1440381075.db2.gz KKOCJQOKJVQETN-ICSRJNTNSA-N 2 0 345.531 3.260 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753359544 1440382065 /nfs/dbraw/zinc/38/20/65/1440382065.db2.gz JPXZZLLXDINRFC-OVKVCFKUSA-N 2 0 349.563 3.243 20 0 EGADRP CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753403744 1440391478 /nfs/dbraw/zinc/39/14/78/1440391478.db2.gz HNFIOWCOMDOYLX-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001753428642 1440397684 /nfs/dbraw/zinc/39/76/84/1440397684.db2.gz HTNWSXAYWQHODO-WSTZPKSXSA-N 2 0 345.531 3.141 20 0 EGADRP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001753440189 1440401548 /nfs/dbraw/zinc/40/15/48/1440401548.db2.gz UYEABWDOGGGYNR-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753448663 1440404979 /nfs/dbraw/zinc/40/49/79/1440404979.db2.gz YWJBCIBUKGSRAM-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001753461103 1440410696 /nfs/dbraw/zinc/41/06/96/1440410696.db2.gz DLRDSDJJMWYXJQ-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1c(C)cccc1C ZINC001753471387 1440414044 /nfs/dbraw/zinc/41/40/44/1440414044.db2.gz LUPQCFXNZICWDN-ICSRJNTNSA-N 2 0 345.531 3.161 20 0 EGADRP CC(C)c1ccc(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)cc1 ZINC001753507684 1440424853 /nfs/dbraw/zinc/42/48/53/1440424853.db2.gz HIKGBAXWOUNNTJ-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H](C(=O)NC1(C[NH2+]CCC2CC2)CCCC1)[NH+]1CCCCCC1 ZINC001753508777 1440425311 /nfs/dbraw/zinc/42/53/11/1440425311.db2.gz BVJQFOQZDXBAOT-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP CCC(CC)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001753550533 1440434877 /nfs/dbraw/zinc/43/48/77/1440434877.db2.gz SMROEFVPPCMPJQ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001753594491 1440444054 /nfs/dbraw/zinc/44/40/54/1440444054.db2.gz DIOGPXJITZUTRJ-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CCCC2CCC2)CC1 ZINC001753596119 1440444754 /nfs/dbraw/zinc/44/47/54/1440444754.db2.gz VGLAMYBVJFPSQN-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CCC3CCCC3)C2)CC1 ZINC001753603020 1440447072 /nfs/dbraw/zinc/44/70/72/1440447072.db2.gz KBAVNQVTFKYOEA-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001753617923 1440450065 /nfs/dbraw/zinc/45/00/65/1440450065.db2.gz BGPPVFOMPZKWGK-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001753617973 1440450091 /nfs/dbraw/zinc/45/00/91/1440450091.db2.gz CADSLWIOSWYDSF-LPHOPBHVSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC3CCCCC3)CCCC2)C1 ZINC001753670807 1440461836 /nfs/dbraw/zinc/46/18/36/1440461836.db2.gz FNMVQRYZQOVGNJ-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753730097 1440475683 /nfs/dbraw/zinc/47/56/83/1440475683.db2.gz VAEGSTQBOBVENT-IRXDYDNUSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001753749186 1440482004 /nfs/dbraw/zinc/48/20/04/1440482004.db2.gz DUAIQGUQWQZFFE-IBGZPJMESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001753798738 1440490350 /nfs/dbraw/zinc/49/03/50/1440490350.db2.gz FFFSGOINHTXNDV-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855144 1440508530 /nfs/dbraw/zinc/50/85/30/1440508530.db2.gz MQJNRCPETPZHRD-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855142 1440508570 /nfs/dbraw/zinc/50/85/70/1440508570.db2.gz MQJNRCPETPZHRD-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753856320 1440509127 /nfs/dbraw/zinc/50/91/27/1440509127.db2.gz FFBBMYFAJRIQIQ-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001753877384 1440519664 /nfs/dbraw/zinc/51/96/64/1440519664.db2.gz GEMAQHJWPMDWAU-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001753878143 1440519962 /nfs/dbraw/zinc/51/99/62/1440519962.db2.gz NXPIQTGCCRMUTG-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001753899171 1440523260 /nfs/dbraw/zinc/52/32/60/1440523260.db2.gz HIFAIRLEABBLGR-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001753903038 1440523719 /nfs/dbraw/zinc/52/37/19/1440523719.db2.gz UWBBFCMUNPXZKS-UXHICEINSA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)CCC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753999711 1440530058 /nfs/dbraw/zinc/53/00/58/1440530058.db2.gz OUCHINNRPXWNKA-APWZRJJASA-N 2 0 343.531 3.120 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001754007684 1440531030 /nfs/dbraw/zinc/53/10/30/1440531030.db2.gz RDUUTQROAMIQOT-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754070391 1440538004 /nfs/dbraw/zinc/53/80/04/1440538004.db2.gz DKKXIVXNLGLVRH-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CCC(C)CC2)CC1 ZINC001754191925 1440549157 /nfs/dbraw/zinc/54/91/57/1440549157.db2.gz TYXNSTMSPVODJG-SNAWJCMRSA-N 2 0 349.563 3.195 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)cs1 ZINC001754245662 1440556684 /nfs/dbraw/zinc/55/66/84/1440556684.db2.gz KHQLTCQMGQQWPU-CQSZACIVSA-N 2 0 345.512 3.026 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001754255000 1440558855 /nfs/dbraw/zinc/55/88/55/1440558855.db2.gz WDSZRBYPLDNIQA-IEBWSBKVSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001754283765 1440563643 /nfs/dbraw/zinc/56/36/43/1440563643.db2.gz KKXDMKOZTTVWTJ-INIZCTEOSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)c1 ZINC001754525398 1440620957 /nfs/dbraw/zinc/62/09/57/1440620957.db2.gz ONYQLSUYUUWEPU-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001754542773 1440626386 /nfs/dbraw/zinc/62/63/86/1440626386.db2.gz DDYVTVQEIRFXOP-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001754707983 1440669601 /nfs/dbraw/zinc/66/96/01/1440669601.db2.gz QUAOOGRVNBQMAO-QYUKCPRWSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001754707985 1440669653 /nfs/dbraw/zinc/66/96/53/1440669653.db2.gz QUAOOGRVNBQMAO-SFMFPFJOSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001754716554 1440671650 /nfs/dbraw/zinc/67/16/50/1440671650.db2.gz SHPIWFSGIYWXJA-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+](CC2CC2)CC1 ZINC001754718249 1440672313 /nfs/dbraw/zinc/67/23/13/1440672313.db2.gz VIHRROWKGOWOSV-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP CC1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+](CC2CC2)CC1 ZINC001754718250 1440672351 /nfs/dbraw/zinc/67/23/51/1440672351.db2.gz VIHRROWKGOWOSV-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001754720008 1440672793 /nfs/dbraw/zinc/67/27/93/1440672793.db2.gz FWKLGNIMRJSMBV-IBGZPJMESA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001754733917 1440681397 /nfs/dbraw/zinc/68/13/97/1440681397.db2.gz QNZVQPRRCQMITB-QUCCMNQESA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754798360 1440690006 /nfs/dbraw/zinc/69/00/06/1440690006.db2.gz YJYUPCDWAXJNQP-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001754983280 1440721859 /nfs/dbraw/zinc/72/18/59/1440721859.db2.gz XHXVIVPNPVCSHD-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CCC2CCCC2)CCC1)CC(C)(C)C ZINC001754987428 1440723223 /nfs/dbraw/zinc/72/32/23/1440723223.db2.gz RSARKQBODRLMTQ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001754988021 1440723358 /nfs/dbraw/zinc/72/33/58/1440723358.db2.gz OOXSZDPEBPJBQM-MSOLQXFVSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC3=CCCCC3)CCC2)CC1 ZINC001754990510 1440724302 /nfs/dbraw/zinc/72/43/02/1440724302.db2.gz NKNLYPJSAICQIN-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CCC1([NH2+]CCCC2CCCC2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001755075007 1440748059 /nfs/dbraw/zinc/74/80/59/1440748059.db2.gz URSKLQDQBZFDCF-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CCc1ccccc1C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001755131055 1440757122 /nfs/dbraw/zinc/75/71/22/1440757122.db2.gz ARIDYKSZWYHDNV-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001755142569 1440761381 /nfs/dbraw/zinc/76/13/81/1440761381.db2.gz BOUXPXPIYNWXOI-DKFQHHCZSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCC(C)(C)C ZINC001755163240 1440765854 /nfs/dbraw/zinc/76/58/54/1440765854.db2.gz FPJLHNQDJAHSCX-IRXDYDNUSA-N 2 0 339.568 3.370 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c(C)c1 ZINC001755165081 1440766701 /nfs/dbraw/zinc/76/67/01/1440766701.db2.gz DXRJLPZTCLZSAX-UYAOXDASSA-N 2 0 345.531 3.113 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001755165646 1440767202 /nfs/dbraw/zinc/76/72/02/1440767202.db2.gz PGSPHODWKZWEQG-HKUYNNGSSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2)[NH+](CC)CC ZINC001755175719 1440770736 /nfs/dbraw/zinc/77/07/36/1440770736.db2.gz DZPGVMAUCZWBPU-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001755205074 1440781857 /nfs/dbraw/zinc/78/18/57/1440781857.db2.gz PUXGJYFIQZRCCJ-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](C(=O)NC1CC(C[NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001755217845 1440784232 /nfs/dbraw/zinc/78/42/32/1440784232.db2.gz JLYQJWWDNWUMML-QHGAOEGBSA-N 2 0 349.563 3.316 20 0 EGADRP CN(C(=O)C[N@H+](C)C1CCC1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC001755274827 1440798619 /nfs/dbraw/zinc/79/86/19/1440798619.db2.gz KSPHJTKJUZEEIH-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001755277309 1440799575 /nfs/dbraw/zinc/79/95/75/1440799575.db2.gz HWBIIKSOSWXMCU-MOPGFXCFSA-N 2 0 345.531 3.306 20 0 EGADRP CCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001755327666 1440822711 /nfs/dbraw/zinc/82/27/11/1440822711.db2.gz JOJJTJRTXOHIHH-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755389389 1440841673 /nfs/dbraw/zinc/84/16/73/1440841673.db2.gz VSQYVYCHNGDDJI-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC001755416563 1440849096 /nfs/dbraw/zinc/84/90/96/1440849096.db2.gz UTJQBRUYYNXFQG-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC3=CCCCC3)C[C@H]2C1 ZINC001755451429 1440853645 /nfs/dbraw/zinc/85/36/45/1440853645.db2.gz FZKUJYLTYYBQHW-XUVXKRRUSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001755513197 1440863808 /nfs/dbraw/zinc/86/38/08/1440863808.db2.gz ZOSMTOTWYKLHAJ-GOSISDBHSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755588264 1440880807 /nfs/dbraw/zinc/88/08/07/1440880807.db2.gz VNZFTNUKYFTXGN-ZWKOTPCHSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001755591250 1440881576 /nfs/dbraw/zinc/88/15/76/1440881576.db2.gz WMKAIQKLQPKDIJ-MAUKXSAKSA-N 2 0 349.544 3.092 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCCC(C)C)CC3)CC[N@@H+]1C ZINC001755702271 1440900720 /nfs/dbraw/zinc/90/07/20/1440900720.db2.gz PAWSZPLBOYZCMU-QEUVDIPISA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CCCCC1 ZINC001755716492 1440905325 /nfs/dbraw/zinc/90/53/25/1440905325.db2.gz AGRIRZOEVHTSOV-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001755720348 1440906974 /nfs/dbraw/zinc/90/69/74/1440906974.db2.gz DUODFSIRXRJLMB-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001755721155 1440907535 /nfs/dbraw/zinc/90/75/35/1440907535.db2.gz MLUMRCKBZVGJCY-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755764090 1440915666 /nfs/dbraw/zinc/91/56/66/1440915666.db2.gz YZGPFRGGUUJOLB-YJBOKZPZSA-N 2 0 349.494 3.055 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001755766544 1440916356 /nfs/dbraw/zinc/91/63/56/1440916356.db2.gz MHNXGXHNGCJPKO-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001755814761 1440922788 /nfs/dbraw/zinc/92/27/88/1440922788.db2.gz NETMCHNHKIPDKE-UHFFFAOYSA-N 2 0 345.531 3.087 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001755839892 1440931242 /nfs/dbraw/zinc/93/12/42/1440931242.db2.gz NHBMCGFQWGVONE-ZWKOTPCHSA-N 2 0 339.568 3.418 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001755894400 1440942212 /nfs/dbraw/zinc/94/22/12/1440942212.db2.gz RIBRHSVBRPKZSN-ROUUACIJSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)[nH+]1 ZINC001164725882 720394372 /nfs/dbraw/zinc/39/43/72/720394372.db2.gz OBJSNXUNYOXVRL-MOPGFXCFSA-N 2 0 333.439 3.120 20 0 EGADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)[nH+]1 ZINC001164725885 720394643 /nfs/dbraw/zinc/39/46/43/720394643.db2.gz OBJSNXUNYOXVRL-RTBURBONSA-N 2 0 333.439 3.120 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054241506 214226330 /nfs/dbraw/zinc/22/63/30/214226330.db2.gz AXQFBSJPAQKLSM-ZFWWWQNUSA-N 2 0 325.294 3.312 20 0 EGADRP C[N@H+](CCOc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000036300826 201783539 /nfs/dbraw/zinc/78/35/39/201783539.db2.gz PLDOTHZHJJHHTH-UHFFFAOYSA-N 2 0 347.684 3.165 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000187994037 236374908 /nfs/dbraw/zinc/37/49/08/236374908.db2.gz GCEKKLMIBNLNPS-HBMCJLEFSA-N 2 0 330.516 3.323 20 0 EGADRP C[C@H](CCNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237456674 201149217 /nfs/dbraw/zinc/14/92/17/201149217.db2.gz WICURCQDJAYDAO-YLJYHZDGSA-N 2 0 339.483 3.103 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209594 201248682 /nfs/dbraw/zinc/24/86/82/201248682.db2.gz PZCONSSUSVHLAL-WMZOPIPTSA-N 2 0 347.503 3.011 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272464682 201249969 /nfs/dbraw/zinc/24/99/69/201249969.db2.gz KQIRMAZAHCNOFQ-CDXJDZJCSA-N 2 0 342.458 3.359 20 0 EGADRP CC(C)n1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000290238295 201334440 /nfs/dbraw/zinc/33/44/40/201334440.db2.gz ZDXRFOAUFYUWSG-IBGZPJMESA-N 2 0 341.503 3.249 20 0 EGADRP c1nc2ccccc2n1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298466416 201353525 /nfs/dbraw/zinc/35/35/25/201353525.db2.gz OTGHUPLAOYAQAK-UHFFFAOYSA-N 2 0 335.455 3.080 20 0 EGADRP CC[NH+](CC)Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192881739 239923814 /nfs/dbraw/zinc/92/38/14/239923814.db2.gz AXKARUOYSJXXNB-UHFFFAOYSA-N 2 0 329.488 3.341 20 0 EGADRP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000236882898 242393590 /nfs/dbraw/zinc/39/35/90/242393590.db2.gz ASTNTJWFOJXBBY-IBGZPJMESA-N 2 0 331.504 3.195 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000069493069 203008593 /nfs/dbraw/zinc/00/85/93/203008593.db2.gz PPLKFRKWXMDRGW-ZDUSSCGKSA-N 2 0 330.394 3.060 20 0 EGADRP C[N@@H+](CCC(=O)Nc1ccccc1Cl)CC[C@H]1CCCC[NH+]1C ZINC000075861411 203325536 /nfs/dbraw/zinc/32/55/36/203325536.db2.gz IWJOTWSVFVEYGS-OAHLLOKOSA-N 2 0 337.895 3.475 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000262626338 245075865 /nfs/dbraw/zinc/07/58/65/245075865.db2.gz FZPMROGJDVIRHE-QFBILLFUSA-N 2 0 339.483 3.240 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000262717693 245142736 /nfs/dbraw/zinc/14/27/36/245142736.db2.gz WQUQJPYUSPRHSO-HXUWFJFHSA-N 2 0 331.504 3.052 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000104150133 204099156 /nfs/dbraw/zinc/09/91/56/204099156.db2.gz QCCUUQPIIVVATQ-SFHVURJKSA-N 2 0 347.528 3.048 20 0 EGADRP COc1ccnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000106860654 204215785 /nfs/dbraw/zinc/21/57/85/204215785.db2.gz YDBRTUFWYFDMKK-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)nnn1-c1ccc(F)cc1 ZINC000125391702 205009244 /nfs/dbraw/zinc/00/92/44/205009244.db2.gz ZIUSIJLVBKLNQI-AWEZNQCLSA-N 2 0 345.466 3.097 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000125805115 205027795 /nfs/dbraw/zinc/02/77/95/205027795.db2.gz WUEDDZBMTUUWDE-OALUTQOASA-N 3 0 347.547 3.398 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1)N1CC[NH+](C)CC1 ZINC000132466425 205326805 /nfs/dbraw/zinc/32/68/05/205326805.db2.gz PPKYOAYLDVLMLN-DYVFJYSZSA-N 2 0 343.437 3.027 20 0 EGADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133113421 205356410 /nfs/dbraw/zinc/35/64/10/205356410.db2.gz PUWPNMULWXZCFZ-IFXJQAMLSA-N 2 0 334.891 3.418 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157247109 206124903 /nfs/dbraw/zinc/12/49/03/206124903.db2.gz NMAWQBSWRSQZIF-MSOLQXFVSA-N 2 0 329.488 3.272 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000157625253 206146855 /nfs/dbraw/zinc/14/68/55/206146855.db2.gz CNCJUNQJJBNZJQ-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264268380 246266076 /nfs/dbraw/zinc/26/60/76/246266076.db2.gz RHKGREVDOLEYSX-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000265149789 247249338 /nfs/dbraw/zinc/24/93/38/247249338.db2.gz AZNSRGDFZAGAGC-YLJYHZDGSA-N 2 0 341.499 3.461 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378178504 169081255 /nfs/dbraw/zinc/08/12/55/169081255.db2.gz UDNIIHBNPREZJP-LJISPDSOSA-N 2 0 341.952 3.119 20 0 EGADRP CC[NH+](CC)CCSCC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177348363 207325270 /nfs/dbraw/zinc/32/52/70/207325270.db2.gz GTRWKHHJZLFXHX-UHFFFAOYSA-N 2 0 337.533 3.070 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000268619806 252074775 /nfs/dbraw/zinc/07/47/75/252074775.db2.gz BEZLKWAGQTYWQR-UHFFFAOYSA-N 2 0 347.890 3.213 20 0 EGADRP Cc1nc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000268776336 252227821 /nfs/dbraw/zinc/22/78/21/252227821.db2.gz ROBHCKCHCPWBLW-AWEZNQCLSA-N 2 0 333.501 3.285 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000268852119 252300706 /nfs/dbraw/zinc/30/07/06/252300706.db2.gz HJJZAEKJNFSOMD-WIYYLYMNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000154084377 224200521 /nfs/dbraw/zinc/20/05/21/224200521.db2.gz OBGFAOAMRGHWIF-VQIMIIECSA-N 2 0 345.487 3.174 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)C1 ZINC000237478339 141004482 /nfs/dbraw/zinc/00/44/82/141004482.db2.gz PYLJYVZPBAAGJP-MRXNPFEDSA-N 2 0 329.488 3.247 20 0 EGADRP C[C@H](CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237635418 141011300 /nfs/dbraw/zinc/01/13/00/141011300.db2.gz UHSWOKBPYSUVAI-MSOLQXFVSA-N 2 0 345.531 3.039 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)sc1C ZINC000246870242 141040934 /nfs/dbraw/zinc/04/09/34/141040934.db2.gz CYIAEWHGUYITDR-RDTXWAMCSA-N 2 0 344.528 3.198 20 0 EGADRP CCC1(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000341262266 141146323 /nfs/dbraw/zinc/14/63/23/141146323.db2.gz BXCDRIXFHBMDDH-UHFFFAOYSA-N 2 0 346.515 3.456 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000350559697 141254036 /nfs/dbraw/zinc/25/40/36/141254036.db2.gz SECCEOGXGGABBF-LEWJYISDSA-N 2 0 341.543 3.140 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000353335739 141289421 /nfs/dbraw/zinc/28/94/21/141289421.db2.gz IAMOPHQLVUDDBX-LPHOPBHVSA-N 2 0 347.503 3.185 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000356830129 141350388 /nfs/dbraw/zinc/35/03/88/141350388.db2.gz DFCAQQUWDZLBGS-CYBMUJFWSA-N 2 0 325.522 3.023 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000356834557 141351238 /nfs/dbraw/zinc/35/12/38/141351238.db2.gz BSPNMGPPTFCCFQ-QUCCMNQESA-N 2 0 346.515 3.108 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359592612 141381004 /nfs/dbraw/zinc/38/10/04/141381004.db2.gz NZZLYGDFALFPOE-AZUAARDMSA-N 3 0 344.547 3.146 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365457510 304319763 /nfs/dbraw/zinc/31/97/63/304319763.db2.gz CMIQNIMDVFJIBX-ICSRJNTNSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000344626908 144201674 /nfs/dbraw/zinc/20/16/74/144201674.db2.gz LOULHSFOQWMYJJ-SJLPKXTDSA-N 2 0 325.456 3.233 20 0 EGADRP C[N@H+](C[C@@H](O)CN1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440954 144265235 /nfs/dbraw/zinc/26/52/35/144265235.db2.gz JCSMMQWMHTYMEO-HXUWFJFHSA-N 2 0 336.479 3.384 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]12 ZINC000351478914 144267371 /nfs/dbraw/zinc/26/73/71/144267371.db2.gz PWAPMIBTAAJSAE-YZGWKJHDSA-N 2 0 335.451 3.108 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000351847599 144315768 /nfs/dbraw/zinc/31/57/68/144315768.db2.gz AUMRWNMRGZQCTG-AEFFLSMTSA-N 2 0 337.467 3.351 20 0 EGADRP COc1cccc(Cl)c1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000118448639 152141224 /nfs/dbraw/zinc/14/12/24/152141224.db2.gz BFLOVBLOAXJLAL-HUUCEWRRSA-N 2 0 340.895 3.328 20 0 EGADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000120814966 152301832 /nfs/dbraw/zinc/30/18/32/152301832.db2.gz FFZVZPNGAXZFLM-FQEVSTJZSA-N 2 0 343.515 3.032 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120888470 152308548 /nfs/dbraw/zinc/30/85/48/152308548.db2.gz WVPVVGPNEYSQDO-IAGOWNOFSA-N 2 0 335.561 3.333 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000121310253 152341496 /nfs/dbraw/zinc/34/14/96/152341496.db2.gz UEJZBCGKEPCMJF-LQWHRVPQSA-N 2 0 329.532 3.488 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000121675258 152364809 /nfs/dbraw/zinc/36/48/09/152364809.db2.gz QOGVBAUAXHIYBP-UHFFFAOYSA-N 2 0 336.549 3.132 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000192080982 153240052 /nfs/dbraw/zinc/24/00/52/153240052.db2.gz LSCNFXPERUMPHK-UHFFFAOYSA-N 2 0 348.450 3.058 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(CO)c1 ZINC000305676048 154101120 /nfs/dbraw/zinc/10/11/20/154101120.db2.gz ZWYRRZASWURRCA-NQIIRXRSSA-N 2 0 338.495 3.394 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000310103382 154139348 /nfs/dbraw/zinc/13/93/48/154139348.db2.gz YWUCPJIMLIOSSJ-ZACQAIPSSA-N 2 0 342.405 3.208 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000310103380 154139597 /nfs/dbraw/zinc/13/95/97/154139597.db2.gz YWUCPJIMLIOSSJ-IKGGRYGDSA-N 2 0 342.405 3.208 20 0 EGADRP Cc1cc(OCC[NH+]2CCC(OCCC[NH3+])CC2)ccc1C(C)C ZINC000325512726 154180325 /nfs/dbraw/zinc/18/03/25/154180325.db2.gz IRMBPBRWBPMXPJ-UHFFFAOYSA-N 2 0 334.504 3.327 20 0 EGADRP COC1(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336663037 154208701 /nfs/dbraw/zinc/20/87/01/154208701.db2.gz WKOGOVLDENZAEC-VQTJNVASSA-N 2 0 328.500 3.400 20 0 EGADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000337327290 154285864 /nfs/dbraw/zinc/28/58/64/154285864.db2.gz DBAFNQNFSKSQSD-SQNIBIBYSA-N 2 0 334.504 3.199 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347016744 156249912 /nfs/dbraw/zinc/24/99/12/156249912.db2.gz KBYIFKLLAANZFV-CJNGLKHVSA-N 2 0 330.451 3.187 20 0 EGADRP C[N@H+](Cc1cccc(OCc2ccccn2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347036944 156259279 /nfs/dbraw/zinc/25/92/79/156259279.db2.gz HLXFRZZNBGGLJY-UFRUDQCGSA-N 2 0 337.467 3.375 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cs1 ZINC000349079121 156346163 /nfs/dbraw/zinc/34/61/63/156346163.db2.gz SDDWDRQEQVMXQB-OAHLLOKOSA-N 2 0 329.941 3.249 20 0 EGADRP Cn1c2cc(F)ccc2nc1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000362083245 157013362 /nfs/dbraw/zinc/01/33/62/157013362.db2.gz NIQDXITYZBACGP-UHFFFAOYSA-N 2 0 339.349 3.071 20 0 EGADRP CCC[C@@H](NC(=O)CN1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401988 157113481 /nfs/dbraw/zinc/11/34/81/157113481.db2.gz HXHYNGGXTUQXDD-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc4c(c3)CCC4)CC2)CC1 ZINC000368836550 157302349 /nfs/dbraw/zinc/30/23/49/157302349.db2.gz YONXWCWVRXOKMK-UHFFFAOYSA-N 2 0 341.543 3.025 20 0 EGADRP CN(Cc1ccc(Cl)cc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372557164 157355030 /nfs/dbraw/zinc/35/50/30/157355030.db2.gz ZEDWJCVDPKQLBF-KRWDZBQOSA-N 2 0 339.886 3.079 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[NH+](CC)CC ZINC000345788298 286741070 /nfs/dbraw/zinc/74/10/70/286741070.db2.gz QHKDQJSPWBSDCP-DLBZAZTESA-N 2 0 335.492 3.043 20 0 EGADRP CCC[NH+](CCC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101544169 162049958 /nfs/dbraw/zinc/04/99/58/162049958.db2.gz OYICFHUMCRRFJH-UHFFFAOYSA-N 2 0 349.544 3.296 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000121838223 162247992 /nfs/dbraw/zinc/24/79/92/162247992.db2.gz QNXZQUROQSRDHB-UHFFFAOYSA-N 2 0 345.409 3.186 20 0 EGADRP COC(=O)c1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)s1 ZINC000123357372 162255644 /nfs/dbraw/zinc/25/56/44/162255644.db2.gz FJIREJWCLXPQRL-UHFFFAOYSA-N 2 0 338.517 3.397 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000123878647 162258090 /nfs/dbraw/zinc/25/80/90/162258090.db2.gz PPJHXOLNNGLQQJ-UYAOXDASSA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)CCC[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000338451746 163227647 /nfs/dbraw/zinc/22/76/47/163227647.db2.gz DIFOZKUAYJQIJN-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C(C)(C)n1cncn1 ZINC000367998890 287011413 /nfs/dbraw/zinc/01/14/13/287011413.db2.gz VLGQESHCOPZQKQ-WWDZGPRUSA-N 2 0 333.524 3.034 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)c2)CC1 ZINC000343841986 164049344 /nfs/dbraw/zinc/04/93/44/164049344.db2.gz ABHUVZQSJRILDN-FXAWDEMLSA-N 2 0 343.515 3.288 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H]1C[C@H]1c1ccccc1 ZINC000343970461 164074595 /nfs/dbraw/zinc/07/45/95/164074595.db2.gz CJVHEGKMAYZSGS-DBVUQKKJSA-N 2 0 339.483 3.304 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)CN(Cc2ccccc2)C1 ZINC000344449560 164181876 /nfs/dbraw/zinc/18/18/76/164181876.db2.gz PJTZYLLPZBWJIE-YZGWKJHDSA-N 2 0 341.499 3.383 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000345663185 164237252 /nfs/dbraw/zinc/23/72/52/164237252.db2.gz YUTAPCKOFPJQDN-XSLAGTTESA-N 2 0 345.531 3.493 20 0 EGADRP CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+](CC)CC ZINC000345786866 164265215 /nfs/dbraw/zinc/26/52/15/164265215.db2.gz AMQNVXACGPETOR-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000347747345 164565899 /nfs/dbraw/zinc/56/58/99/164565899.db2.gz YTCRLORBLGOMBI-UYAOXDASSA-N 2 0 345.531 3.230 20 0 EGADRP COc1ccc([C@@H](CNc2cc[nH+]c(C)c2Cl)[NH+](C)C)cc1OC ZINC000350244939 165021691 /nfs/dbraw/zinc/02/16/91/165021691.db2.gz HQVNZBSHEYSCAX-OAHLLOKOSA-N 2 0 349.862 3.197 20 0 EGADRP COc1ccc([C@H](CNc2cc[nH+]c(C)c2Cl)[NH+](C)C)cc1OC ZINC000350244938 165021726 /nfs/dbraw/zinc/02/17/26/165021726.db2.gz HQVNZBSHEYSCAX-HNNXBMFYSA-N 2 0 349.862 3.197 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000350259433 165022668 /nfs/dbraw/zinc/02/26/68/165022668.db2.gz VOIUVLOIMRHHDD-ZBFHGGJFSA-N 2 0 326.431 3.459 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354989835 166081726 /nfs/dbraw/zinc/08/17/26/166081726.db2.gz JEBNCIBVRJGFKA-CALCHBBNSA-N 2 0 329.488 3.136 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000352128092 165248644 /nfs/dbraw/zinc/24/86/44/165248644.db2.gz AVGYYCZZEPDEHU-DLBZAZTESA-N 2 0 335.492 3.090 20 0 EGADRP CSC1(C[NH2+]C2CCN(c3ccccc3)CC2)CC[NH+](C)CC1 ZINC000353649356 165844424 /nfs/dbraw/zinc/84/44/24/165844424.db2.gz NGTWTKBWQFWXLY-UHFFFAOYSA-N 2 0 333.545 3.072 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000355406065 166187022 /nfs/dbraw/zinc/18/70/22/166187022.db2.gz BYKOAMQVVYBBBV-HZPDHXFCSA-N 2 0 344.503 3.004 20 0 EGADRP [NH3+]CCC[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000359277006 167113047 /nfs/dbraw/zinc/11/30/47/167113047.db2.gz DCYYTZYKWDFEEK-UHFFFAOYSA-N 2 0 336.439 3.130 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn(C)nc2C(F)F)c1 ZINC000360956849 167461838 /nfs/dbraw/zinc/46/18/38/167461838.db2.gz WUGHCFXUXWJZTL-UHFFFAOYSA-N 2 0 336.430 3.489 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC000367041910 168171935 /nfs/dbraw/zinc/17/19/35/168171935.db2.gz BGVXWUIGJQCYDL-OAQYLSRUSA-N 2 0 347.522 3.249 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367058497 168174300 /nfs/dbraw/zinc/17/43/00/168174300.db2.gz ULBXMEXIIUFJMI-FPOVZHCZSA-N 2 0 344.547 3.115 20 0 EGADRP CCSc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368052706 168304691 /nfs/dbraw/zinc/30/46/91/168304691.db2.gz XWPDIZWUQONSDJ-LJQANCHMSA-N 2 0 347.572 3.399 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](COC)C1CCOCC1 ZINC000187714039 265619501 /nfs/dbraw/zinc/61/95/01/265619501.db2.gz AVTOMSKIQVCCAU-FQEVSTJZSA-N 2 0 334.504 3.060 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000236720870 266211368 /nfs/dbraw/zinc/21/13/68/266211368.db2.gz MLJZAHPCUBGMIV-MRXNPFEDSA-N 2 0 339.524 3.238 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000236917945 266219831 /nfs/dbraw/zinc/21/98/31/266219831.db2.gz CCVGZINYENVHIV-UXHICEINSA-N 2 0 345.531 3.442 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236948154 266220894 /nfs/dbraw/zinc/22/08/94/266220894.db2.gz AEIYQVNWPMRGTK-GJYPPUQNSA-N 2 0 331.504 3.051 20 0 EGADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269636983 266332589 /nfs/dbraw/zinc/33/25/89/266332589.db2.gz IZBGGMXXTJYEHY-VQIMIIECSA-N 2 0 338.499 3.065 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C2CC2)cc1 ZINC000271578307 266689924 /nfs/dbraw/zinc/68/99/24/266689924.db2.gz ZVVXBLHWFWGXGH-FDFHNCONSA-N 2 0 342.527 3.284 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000272195690 266790456 /nfs/dbraw/zinc/79/04/56/266790456.db2.gz OJGSAEYHRQPJCC-KRWDZBQOSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H]([NH2+]CCc1nc2ccccc2n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273318840 267018950 /nfs/dbraw/zinc/01/89/50/267018950.db2.gz WDUIYBSHNAYGRC-IAGOWNOFSA-N 2 0 340.515 3.358 20 0 EGADRP COC(=O)c1ccccc1-c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)o1 ZINC000274860311 267298079 /nfs/dbraw/zinc/29/80/79/267298079.db2.gz RXJNDDJNNCMMNT-UHFFFAOYSA-N 2 0 340.423 3.085 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000275633250 267395414 /nfs/dbraw/zinc/39/54/14/267395414.db2.gz AIPXAUGHGYRKEQ-HXUWFJFHSA-N 2 0 347.547 3.099 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000278411405 268006813 /nfs/dbraw/zinc/00/68/13/268006813.db2.gz HREJWPIOKOGZPG-BEVDRBHNSA-N 2 0 334.479 3.492 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278460914 268018674 /nfs/dbraw/zinc/01/86/74/268018674.db2.gz JCMPRIULDNIWBT-UZLBHIALSA-N 2 0 332.488 3.163 20 0 EGADRP c1cnc(Oc2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2)cn1 ZINC000278471229 268019931 /nfs/dbraw/zinc/01/99/31/268019931.db2.gz HEBYBTBZKKUECT-UHFFFAOYSA-N 2 0 338.455 3.233 20 0 EGADRP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000278485640 268023794 /nfs/dbraw/zinc/02/37/94/268023794.db2.gz BAMZWUSRXSLSIF-GFOJFJKKSA-N 2 0 330.516 3.285 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000344009953 273797409 /nfs/dbraw/zinc/79/74/09/273797409.db2.gz ZTGGTRMVPAUJMT-SFHVURJKSA-N 2 0 345.874 3.453 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3C[C@H](c4ccccc4)C3(C)C)C2)CC1 ZINC000363803383 273869467 /nfs/dbraw/zinc/86/94/67/273869467.db2.gz JCHOBOOLQPKVML-TYPHKJRUSA-N 2 0 341.543 3.327 20 0 EGADRP Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000376210813 274711241 /nfs/dbraw/zinc/71/12/41/274711241.db2.gz LWSVVBIOVCNGQQ-UZLBHIALSA-N 2 0 338.499 3.005 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@H](C)C1 ZINC000181357460 275206351 /nfs/dbraw/zinc/20/63/51/275206351.db2.gz WJPVEGQXCUASKP-CJNGLKHVSA-N 2 0 340.309 3.181 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188614612 275218734 /nfs/dbraw/zinc/21/87/34/275218734.db2.gz WVRDSVGQTFQZJT-CJNGLKHVSA-N 2 0 336.442 3.323 20 0 EGADRP C[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000262670740 275233005 /nfs/dbraw/zinc/23/30/05/275233005.db2.gz RLIXJPPIPBIJLG-ZIFCJYIRSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000274612475 275247946 /nfs/dbraw/zinc/24/79/46/275247946.db2.gz UCVSYHTZWRCFCW-CQSZACIVSA-N 2 0 335.879 3.202 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280073622 275401604 /nfs/dbraw/zinc/40/16/04/275401604.db2.gz XVXQKIQXBHUJRW-HZPDHXFCSA-N 2 0 337.939 3.448 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccccc21 ZINC000283369328 275716165 /nfs/dbraw/zinc/71/61/65/275716165.db2.gz NVYJTTQNENVDMS-UXHICEINSA-N 2 0 344.499 3.490 20 0 EGADRP CC(C)n1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000284193279 275781166 /nfs/dbraw/zinc/78/11/66/275781166.db2.gz YJDQFWPXOWQFOI-UHFFFAOYSA-N 2 0 342.487 3.227 20 0 EGADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284396372 275797550 /nfs/dbraw/zinc/79/75/50/275797550.db2.gz PMAAJSXTOMMYDX-OALUTQOASA-N 2 0 347.547 3.400 20 0 EGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000372734857 275908606 /nfs/dbraw/zinc/90/86/06/275908606.db2.gz DDUKXHHGITVFHK-TZIWHRDSSA-N 2 0 333.564 3.469 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947951 276061671 /nfs/dbraw/zinc/06/16/71/276061671.db2.gz MLYAOIDFABWAQZ-FXAWDEMLSA-N 2 0 347.466 3.192 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000286983919 276066687 /nfs/dbraw/zinc/06/66/87/276066687.db2.gz GTHWAKFZFHRDFH-PXNSSMCTSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287283760 276104296 /nfs/dbraw/zinc/10/42/96/276104296.db2.gz BPDPXLNVYUWSAT-INIZCTEOSA-N 2 0 327.476 3.038 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC000104146652 276110192 /nfs/dbraw/zinc/11/01/92/276110192.db2.gz MXFIKOVIRRUPMJ-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000287551173 276132129 /nfs/dbraw/zinc/13/21/29/276132129.db2.gz FRBNQZPSYRHZGJ-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287731606 276151599 /nfs/dbraw/zinc/15/15/99/276151599.db2.gz PEAQFYRMOZOBMU-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000287870505 276165433 /nfs/dbraw/zinc/16/54/33/276165433.db2.gz XXJBDMKVIRCFHZ-DLBZAZTESA-N 2 0 342.405 3.482 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000343544715 276201659 /nfs/dbraw/zinc/20/16/59/276201659.db2.gz YMHWXSQGKLFDMF-PKOBYXMFSA-N 2 0 333.907 3.039 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(O)c1OC ZINC000289188005 276302034 /nfs/dbraw/zinc/30/20/34/276302034.db2.gz BCXVFMFBNCHYKP-UHFFFAOYSA-N 2 0 328.456 3.485 20 0 EGADRP CCO[C@@H]1COCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353670939 276341211 /nfs/dbraw/zinc/34/12/11/276341211.db2.gz BRRNKEYHMFJILO-TZWRJOPASA-N 2 0 346.515 3.213 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000346671744 276359527 /nfs/dbraw/zinc/35/95/27/276359527.db2.gz VHGHDWVFRQFNCS-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000104137010 276365399 /nfs/dbraw/zinc/36/53/99/276365399.db2.gz QCOGNYQFPNPGBZ-FQEVSTJZSA-N 2 0 343.515 3.163 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000289852321 276406044 /nfs/dbraw/zinc/40/60/44/276406044.db2.gz BFEPMOPHAWYBOV-LJQANCHMSA-N 2 0 343.446 3.328 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1O ZINC000289997028 276432081 /nfs/dbraw/zinc/43/20/81/276432081.db2.gz YSXMWJSXVMYFOA-HNNXBMFYSA-N 2 0 344.455 3.192 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000292172101 276744658 /nfs/dbraw/zinc/74/46/58/276744658.db2.gz WDXBNLSJPDPOFK-GOSISDBHSA-N 2 0 329.488 3.186 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292708620 276859865 /nfs/dbraw/zinc/85/98/65/276859865.db2.gz OMTZOTNWEVXFIO-OAHLLOKOSA-N 2 0 349.500 3.272 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000269132834 277287334 /nfs/dbraw/zinc/28/73/34/277287334.db2.gz MQBAMVLMEVNKRK-HXUWFJFHSA-N 2 0 337.467 3.399 20 0 EGADRP CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000341276416 277338194 /nfs/dbraw/zinc/33/81/94/277338194.db2.gz ZUVMDECGQUWSDW-RXVVDRJESA-N 2 0 345.531 3.122 20 0 EGADRP CC(C)CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000370089749 277373407 /nfs/dbraw/zinc/37/34/07/277373407.db2.gz NWNXSFAPPDIWDQ-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C[NH+]1CCCC1 ZINC000165328098 278282398 /nfs/dbraw/zinc/28/23/98/278282398.db2.gz PBWZTLDFYBMRQG-BQJIDLTASA-N 2 0 341.499 3.141 20 0 EGADRP CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000361173937 288080867 /nfs/dbraw/zinc/08/08/67/288080867.db2.gz PCLKHDHZUKLRKN-GJYPPUQNSA-N 2 0 349.494 3.043 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000354744123 279100607 /nfs/dbraw/zinc/10/06/07/279100607.db2.gz HGRRXGZDTCCAJJ-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365457493 280129583 /nfs/dbraw/zinc/12/95/83/280129583.db2.gz CMIQNIMDVFJIBX-AZUAARDMSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000358582380 280176206 /nfs/dbraw/zinc/17/62/06/280176206.db2.gz DLQWZHGXYZEHDP-HXUWFJFHSA-N 2 0 345.531 3.265 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000371107467 281095726 /nfs/dbraw/zinc/09/57/26/281095726.db2.gz OOPMNMZLORUHDV-NQIIRXRSSA-N 2 0 327.516 3.131 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413710690 309044418 /nfs/dbraw/zinc/04/44/18/309044418.db2.gz IJDJVZTVEIGNGN-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(CC)CC)CC1 ZINC000066960699 307364024 /nfs/dbraw/zinc/36/40/24/307364024.db2.gz SBJZWJHSDPJYDV-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000067671621 307367184 /nfs/dbraw/zinc/36/71/84/307367184.db2.gz ICIAHWLNUZOZIU-MRXNPFEDSA-N 2 0 345.462 3.201 20 0 EGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000072718558 307381682 /nfs/dbraw/zinc/38/16/82/307381682.db2.gz HDKKZTNOQYZYLN-MRXNPFEDSA-N 2 0 349.906 3.476 20 0 EGADRP CCCC[NH+]1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000079000188 307422701 /nfs/dbraw/zinc/42/27/01/307422701.db2.gz DHPOFDKZQHDSDC-UHFFFAOYSA-N 2 0 339.524 3.240 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)c1 ZINC000123396829 307538642 /nfs/dbraw/zinc/53/86/42/307538642.db2.gz AVERMAOWATZKBG-HXUWFJFHSA-N 2 0 348.531 3.097 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000414133929 309062897 /nfs/dbraw/zinc/06/28/97/309062897.db2.gz BVCKWQFEPOPGAQ-WRTQPQOASA-N 2 0 328.500 3.180 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(C)c1 ZINC000414160956 309063951 /nfs/dbraw/zinc/06/39/51/309063951.db2.gz JSAHQCVOTKCBDB-MRXNPFEDSA-N 2 0 343.471 3.190 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000155734153 307819595 /nfs/dbraw/zinc/81/95/95/307819595.db2.gz QVOAWZXGCBBYSO-PZJWPPBQSA-N 2 0 331.548 3.178 20 0 EGADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000414309215 309071965 /nfs/dbraw/zinc/07/19/65/309071965.db2.gz JCJAKRRUSDMGRF-KRWDZBQOSA-N 2 0 334.479 3.288 20 0 EGADRP Cc1cc2cc([C@H](C)[NH2+]CCCN3CC[NH+](C)CC3)oc2cc1C ZINC000162496974 307913581 /nfs/dbraw/zinc/91/35/81/307913581.db2.gz MNSWLFDROQHISG-KRWDZBQOSA-N 2 0 329.488 3.338 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000246952280 307986346 /nfs/dbraw/zinc/98/63/46/307986346.db2.gz IEUBVUSUNPYPSN-DUXKGJEZSA-N 2 0 329.532 3.487 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOCC(F)(F)F ZINC000248394398 308001681 /nfs/dbraw/zinc/00/16/81/308001681.db2.gz HUSWDHZYBSSCSE-QLPKVWCKSA-N 2 0 344.421 3.312 20 0 EGADRP CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000248759248 308011179 /nfs/dbraw/zinc/01/11/79/308011179.db2.gz VTFGHLJZDUHNRW-DYESRHJHSA-N 2 0 343.515 3.067 20 0 EGADRP CCOc1c(Cl)cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292893906 308077308 /nfs/dbraw/zinc/07/73/08/308077308.db2.gz ZHAOIVHJRNERCZ-SFHVURJKSA-N 2 0 338.879 3.275 20 0 EGADRP Cc1sccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000293143809 308103646 /nfs/dbraw/zinc/10/36/46/308103646.db2.gz DCZNZWJASGOTJS-IBGZPJMESA-N 2 0 330.497 3.303 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CCc3nccn3C2)cc1 ZINC000293366589 308124189 /nfs/dbraw/zinc/12/41/89/308124189.db2.gz HRKNDTZCARGISP-FCEWJHQRSA-N 2 0 343.446 3.342 20 0 EGADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CCc3nccn3C2)cc1 ZINC000293366602 308124308 /nfs/dbraw/zinc/12/43/08/308124308.db2.gz HRKNDTZCARGISP-MDZRGWNJSA-N 2 0 343.446 3.342 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000293710702 308154856 /nfs/dbraw/zinc/15/48/56/308154856.db2.gz SJMGHLJUNCTKBB-FQEVSTJZSA-N 2 0 330.472 3.249 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000293789890 308161993 /nfs/dbraw/zinc/16/19/93/308161993.db2.gz UFJMRPNUAKDSLQ-KRWDZBQOSA-N 2 0 327.476 3.184 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293799044 308162685 /nfs/dbraw/zinc/16/26/85/308162685.db2.gz RCWLUBSAZQDTOU-DLBZAZTESA-N 2 0 345.487 3.416 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293820227 308165246 /nfs/dbraw/zinc/16/52/46/308165246.db2.gz BHKZBQIRGJBARG-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CC(=O)NC1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000293880417 308170635 /nfs/dbraw/zinc/17/06/35/308170635.db2.gz VKQTUHOUUHNIOH-HSZSURFESA-N 2 0 343.515 3.076 20 0 EGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000294461776 308223100 /nfs/dbraw/zinc/22/31/00/308223100.db2.gz YWWKFPOXDAGWJU-INIZCTEOSA-N 2 0 328.456 3.053 20 0 EGADRP Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1F ZINC000294928533 308272478 /nfs/dbraw/zinc/27/24/78/308272478.db2.gz BWQUOLHQLZHCCQ-FQEVSTJZSA-N 2 0 342.458 3.381 20 0 EGADRP CC[C@@](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)(C(=O)OC)c1ccccc1 ZINC000414583026 309090666 /nfs/dbraw/zinc/09/06/66/309090666.db2.gz HKCSYSVPYLKAPE-NRFANRHFSA-N 2 0 346.515 3.360 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCC1 ZINC000295578489 308340186 /nfs/dbraw/zinc/34/01/86/308340186.db2.gz BICRQCXEPSXIEZ-UHFFFAOYSA-N 2 0 345.531 3.266 20 0 EGADRP CC[C@@](C)(C[NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000414619688 309091945 /nfs/dbraw/zinc/09/19/45/309091945.db2.gz KRGPBMGALQDHHR-IBGZPJMESA-N 2 0 328.460 3.349 20 0 EGADRP CCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)c1ccccc1 ZINC000414673180 309094803 /nfs/dbraw/zinc/09/48/03/309094803.db2.gz IPPWLZDSRHAYKM-MJGOQNOKSA-N 2 0 331.504 3.047 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC(C)C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695726 309095737 /nfs/dbraw/zinc/09/57/37/309095737.db2.gz OPSGYTJEIFDPBR-QUCCMNQESA-N 2 0 345.531 3.293 20 0 EGADRP C[C@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000297350385 308525394 /nfs/dbraw/zinc/52/53/94/308525394.db2.gz FFDICLVUXJYJFR-IBGZPJMESA-N 2 0 345.874 3.201 20 0 EGADRP CC(C)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc(C2CC2)no1 ZINC000297693358 308556593 /nfs/dbraw/zinc/55/65/93/308556593.db2.gz PYEOFVOERGVSGB-QGZVFWFLSA-N 2 0 341.459 3.298 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775216 309100069 /nfs/dbraw/zinc/10/00/69/309100069.db2.gz GHMGZVALZGPIGI-HUUCEWRRSA-N 2 0 328.435 3.037 20 0 EGADRP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)nc1 ZINC000414775190 309100150 /nfs/dbraw/zinc/10/01/50/309100150.db2.gz ZPDOALVGVWWYQG-KDURUIRLSA-N 2 0 337.467 3.092 20 0 EGADRP Fc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776699 309100231 /nfs/dbraw/zinc/10/02/31/309100231.db2.gz HLFXLZKIESYOEK-STQMWFEESA-N 2 0 341.268 3.410 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC(F)F ZINC000414778973 309100371 /nfs/dbraw/zinc/10/03/71/309100371.db2.gz JVGQGQLSELDEMT-HUUCEWRRSA-N 2 0 340.414 3.118 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414779423 309100535 /nfs/dbraw/zinc/10/05/35/309100535.db2.gz KBCOZQQIJYDXKM-CABCVRRESA-N 2 0 338.879 3.179 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414782242 309100726 /nfs/dbraw/zinc/10/07/26/309100726.db2.gz OBSKKYWRJXPDMP-ZWKOTPCHSA-N 2 0 332.488 3.306 20 0 EGADRP Cc1nn2c(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000414789228 309101525 /nfs/dbraw/zinc/10/15/25/309101525.db2.gz YDNBXEGCIGWQNY-CABCVRRESA-N 2 0 347.532 3.044 20 0 EGADRP c1ccc2nc(N3CCCCC3)c(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2c1 ZINC000414828240 309104049 /nfs/dbraw/zinc/10/40/49/309104049.db2.gz INAXSLKMXBGXFB-QGZVFWFLSA-N 2 0 338.499 3.314 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301514744 308703471 /nfs/dbraw/zinc/70/34/71/308703471.db2.gz LKULGAABUDBHDQ-DLBZAZTESA-N 2 0 339.524 3.286 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414840448 309104808 /nfs/dbraw/zinc/10/48/08/309104808.db2.gz XCDOBLZCVWFPQW-INIZCTEOSA-N 2 0 346.906 3.291 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414842395 309104943 /nfs/dbraw/zinc/10/49/43/309104943.db2.gz BEZZZQSZCZHBSU-SOUVJXGZSA-N 2 0 337.895 3.343 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414846885 309105350 /nfs/dbraw/zinc/10/53/50/309105350.db2.gz FIIWOOURPHQCGM-TZMCWYRMSA-N 2 0 328.403 3.164 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1 ZINC000412559874 308991239 /nfs/dbraw/zinc/99/12/39/308991239.db2.gz OYPNGDMQJBPRFY-UHFFFAOYSA-N 2 0 329.419 3.201 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC4(CCC[N@@H+]4C)CC3)c2cc1OC ZINC000413218718 309022102 /nfs/dbraw/zinc/02/21/02/309022102.db2.gz JRXAWXNBLJSDGS-UHFFFAOYSA-N 2 0 341.455 3.317 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414851334 309105512 /nfs/dbraw/zinc/10/55/12/309105512.db2.gz JASBLFJHPHFTRV-NVXWUHKLSA-N 2 0 335.923 3.282 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414879128 309107075 /nfs/dbraw/zinc/10/70/75/309107075.db2.gz PDMAIPZVLKEKFG-INIZCTEOSA-N 2 0 328.456 3.349 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000414918602 309109257 /nfs/dbraw/zinc/10/92/57/309109257.db2.gz UVYQXFFWXJOLFT-KSSFIOAISA-N 2 0 337.895 3.345 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000414918570 309109279 /nfs/dbraw/zinc/10/92/79/309109279.db2.gz UVYQXFFWXJOLFT-KBXCAEBGSA-N 2 0 337.895 3.345 20 0 EGADRP CCOc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000414941630 309110353 /nfs/dbraw/zinc/11/03/53/309110353.db2.gz LTLNUFNDJCEGRU-UHFFFAOYSA-N 2 0 346.393 3.258 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000414951836 309111044 /nfs/dbraw/zinc/11/10/44/309111044.db2.gz HLDZOSYLWFJFAI-ZNLUXHQJSA-N 2 0 335.495 3.299 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414966571 309111953 /nfs/dbraw/zinc/11/19/53/309111953.db2.gz GUBQOENDELKZJA-MRXNPFEDSA-N 2 0 348.441 3.389 20 0 EGADRP CCOc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1OC(F)F ZINC000414975515 309112411 /nfs/dbraw/zinc/11/24/11/309112411.db2.gz ORHWNHWPGCSMNH-AWEZNQCLSA-N 2 0 328.403 3.309 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OC(F)F ZINC000414977808 309112468 /nfs/dbraw/zinc/11/24/68/309112468.db2.gz RXGQPRXMDLEFKD-HNNXBMFYSA-N 2 0 328.403 3.164 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c(F)ccc(Br)c1F ZINC000414998979 309113445 /nfs/dbraw/zinc/11/34/45/309113445.db2.gz RHXAYXGYFZBJKS-BZJXFRBESA-N 2 0 345.231 3.333 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415001728 309113623 /nfs/dbraw/zinc/11/36/23/309113623.db2.gz LIBHWQYAHDCCKV-DZKIICNBSA-N 2 0 337.895 3.473 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000214 309113650 /nfs/dbraw/zinc/11/36/50/309113650.db2.gz AKRXVUCKVOINRH-PZJWPPBQSA-N 2 0 338.499 3.026 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415005973 309113727 /nfs/dbraw/zinc/11/37/27/309113727.db2.gz ZRHJRLNVNZPIFU-DOTOQJQBSA-N 2 0 330.451 3.235 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(-c2ccccc2Cl)n1 ZINC000415009945 309114101 /nfs/dbraw/zinc/11/41/01/309114101.db2.gz OQWVZGPSZFTVSG-FUHWJXTLSA-N 2 0 344.890 3.218 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC000415010778 309114102 /nfs/dbraw/zinc/11/41/02/309114102.db2.gz PVJCLWISQACGLY-VQTJNVASSA-N 2 0 347.934 3.282 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415021240 309114818 /nfs/dbraw/zinc/11/48/18/309114818.db2.gz KGTNSJOFEIXEQX-NWDGAFQWSA-N 2 0 347.381 3.019 20 0 EGADRP COc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1OC(F)F ZINC000415026185 309115049 /nfs/dbraw/zinc/11/50/49/309115049.db2.gz SDECFBURAHJIPA-JOCQHMNTSA-N 2 0 328.403 3.151 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cc2)cs1 ZINC000415034256 309115596 /nfs/dbraw/zinc/11/55/96/309115596.db2.gz JUKYOCIPZKFQMN-HZPDHXFCSA-N 2 0 331.485 3.248 20 0 EGADRP COc1ccc(CN[C@H](C[NH3+])C2CCCC2)cc1Br ZINC000415038682 309115836 /nfs/dbraw/zinc/11/58/36/309115836.db2.gz IFAYRMJRALPRBX-CQSZACIVSA-N 2 0 327.266 3.065 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415081606 309118944 /nfs/dbraw/zinc/11/89/44/309118944.db2.gz KLTWYOWIYICFLU-NNGSBXSVSA-N 2 0 338.455 3.254 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415119027 309121642 /nfs/dbraw/zinc/12/16/42/309121642.db2.gz FCARORHETKBJMU-UYAOXDASSA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000415122477 309121977 /nfs/dbraw/zinc/12/19/77/309121977.db2.gz IJYBIQWDXKKDPD-RDJZCZTQSA-N 2 0 340.414 3.006 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000415126843 309122330 /nfs/dbraw/zinc/12/23/30/309122330.db2.gz MLOGIUKKJCJGGX-LPHOPBHVSA-N 2 0 325.456 3.077 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415131078 309122789 /nfs/dbraw/zinc/12/27/89/309122789.db2.gz RVXRSTHOKUXRTR-PMACEKPBSA-N 2 0 332.488 3.192 20 0 EGADRP CCC[C@@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415133467 309122824 /nfs/dbraw/zinc/12/28/24/309122824.db2.gz CHEVCIFBBNVANB-ZCNNSNEGSA-N 2 0 328.500 3.271 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000415135347 309123027 /nfs/dbraw/zinc/12/30/27/309123027.db2.gz WOKGBDYUYZTOIH-DLBZAZTESA-N 2 0 340.414 3.006 20 0 EGADRP C[C@@H]1CC([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000415134510 309123112 /nfs/dbraw/zinc/12/31/12/309123112.db2.gz OQKHMNJDEPPSJV-ROUUACIJSA-N 2 0 329.532 3.394 20 0 EGADRP CC[C@](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415139680 309123357 /nfs/dbraw/zinc/12/33/57/309123357.db2.gz MBBCJHALJHOXJE-QEUVDIPISA-N 2 0 344.499 3.018 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC3([NH3+])CCCCC3)ccc21 ZINC000415795808 309144125 /nfs/dbraw/zinc/14/41/25/309144125.db2.gz XKGDMBKVUQXZLQ-KRWDZBQOSA-N 2 0 330.476 3.019 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000415929310 309149280 /nfs/dbraw/zinc/14/92/80/309149280.db2.gz HPUZGGYYXKTWER-MRXNPFEDSA-N 2 0 332.492 3.182 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000415945467 309150603 /nfs/dbraw/zinc/15/06/03/309150603.db2.gz DCDGRMPPVHJDEK-LJQANCHMSA-N 2 0 338.455 3.104 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415981676 309152701 /nfs/dbraw/zinc/15/27/01/309152701.db2.gz CHXOUIMBIOOZTH-UHFFFAOYSA-N 2 0 334.508 3.238 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccco1 ZINC000415985795 309152902 /nfs/dbraw/zinc/15/29/02/309152902.db2.gz UBNYMXDPCQKAEH-YOEHRIQHSA-N 2 0 344.459 3.250 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415986115 309152920 /nfs/dbraw/zinc/15/29/20/309152920.db2.gz UQRPJYZQIVGRIW-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000415994323 309153690 /nfs/dbraw/zinc/15/36/90/309153690.db2.gz VDEVHAZWPHRQFN-UHFFFAOYSA-N 2 0 340.471 3.002 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000416165820 309161737 /nfs/dbraw/zinc/16/17/37/309161737.db2.gz IEXHKZVJAVEWDG-VQTJNVASSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416210993 309164044 /nfs/dbraw/zinc/16/40/44/309164044.db2.gz UIVCVHMMAQGMAO-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)CCC[NH3+])CCCC1)c1ccccc1 ZINC000417709052 309219094 /nfs/dbraw/zinc/21/90/94/309219094.db2.gz SPSXAVVTCDMPDK-DLBZAZTESA-N 2 0 346.519 3.077 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417710819 309219195 /nfs/dbraw/zinc/21/91/95/309219195.db2.gz XVPFXSATSARSAU-MOPGFXCFSA-N 2 0 346.519 3.030 20 0 EGADRP [NH3+]Cc1cc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000417824364 309224155 /nfs/dbraw/zinc/22/41/55/309224155.db2.gz LOGOIOUWWGYYLS-BXUZGUMPSA-N 2 0 329.366 3.010 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417906636 309227848 /nfs/dbraw/zinc/22/78/48/309227848.db2.gz CKQPMUSNSJOXCJ-NVXWUHKLSA-N 2 0 349.494 3.186 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418047715 309233084 /nfs/dbraw/zinc/23/30/84/309233084.db2.gz QPCPIYUPKPBAHH-IEBWSBKVSA-N 2 0 346.519 3.030 20 0 EGADRP COCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)c1ccccc1 ZINC000420295496 309279822 /nfs/dbraw/zinc/27/98/22/309279822.db2.gz ARPOQMTXZYUWNR-XLIONFOSSA-N 2 0 342.483 3.447 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420303277 309280533 /nfs/dbraw/zinc/28/05/33/309280533.db2.gz CPVRKCOZWOGWDS-QGZVFWFLSA-N 2 0 325.456 3.221 20 0 EGADRP c1ccc(COc2cncc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c2)cc1 ZINC000420306102 309280739 /nfs/dbraw/zinc/28/07/39/309280739.db2.gz KSPTUNKPKXYGKA-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP CC[N@H+](CCOc1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000420313106 309281326 /nfs/dbraw/zinc/28/13/26/309281326.db2.gz PBIVEVKXHOUNEE-HNNXBMFYSA-N 2 0 341.293 3.292 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000420310923 309281370 /nfs/dbraw/zinc/28/13/70/309281370.db2.gz QJWPONCUCYWISM-AWEZNQCLSA-N 2 0 344.459 3.128 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420319831 309281755 /nfs/dbraw/zinc/28/17/55/309281755.db2.gz AOXWBYXGWWXYEI-DLBZAZTESA-N 2 0 341.455 3.172 20 0 EGADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1-c1ccccc1 ZINC000420325819 309282403 /nfs/dbraw/zinc/28/24/03/309282403.db2.gz BVJRUVVIDQLOIO-KDURUIRLSA-N 2 0 349.478 3.224 20 0 EGADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cccc2ccccc21 ZINC000420330974 309282555 /nfs/dbraw/zinc/28/25/55/309282555.db2.gz BFTRYVZTHHOHME-LJQANCHMSA-N 2 0 337.467 3.242 20 0 EGADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420332907 309282826 /nfs/dbraw/zinc/28/28/26/309282826.db2.gz NNRHDJUFXOJLPM-VUCTXSBTSA-N 2 0 340.414 3.177 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420335996 309283064 /nfs/dbraw/zinc/28/30/64/309283064.db2.gz IIZVNHYGUSVBCL-KDOFPFPSSA-N 2 0 347.528 3.200 20 0 EGADRP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420339503 309283145 /nfs/dbraw/zinc/28/31/45/309283145.db2.gz LWLPNBSWVKUKHM-QZTJIDSGSA-N 2 0 340.471 3.121 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000420340631 309283223 /nfs/dbraw/zinc/28/32/23/309283223.db2.gz MXPVSPLGRHYRFL-IEBWSBKVSA-N 2 0 343.515 3.403 20 0 EGADRP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)nc2c1 ZINC000420363034 309284288 /nfs/dbraw/zinc/28/42/88/309284288.db2.gz OUCBGZDXPZQXLP-KRWDZBQOSA-N 2 0 326.488 3.440 20 0 EGADRP FC(F)(F)c1ccc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420372136 309284910 /nfs/dbraw/zinc/28/49/10/309284910.db2.gz LDKBVKGXGXWUNR-CZUORRHYSA-N 2 0 328.378 3.078 20 0 EGADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376458 309285193 /nfs/dbraw/zinc/28/51/93/309285193.db2.gz JWAQIIGRCVHLQQ-YWZLYKJASA-N 2 0 335.455 3.288 20 0 EGADRP COc1ccc(Cl)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420386288 309285773 /nfs/dbraw/zinc/28/57/73/309285773.db2.gz ISOUZRZMFISCAL-CRAIPNDOSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000420392459 309286210 /nfs/dbraw/zinc/28/62/10/309286210.db2.gz PPGYZJARPWMDGP-FPOVZHCZSA-N 2 0 346.515 3.291 20 0 EGADRP CC(C)([NH3+])c1noc(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000420397421 309286266 /nfs/dbraw/zinc/28/62/66/309286266.db2.gz GFYJNEKUAYHBQB-HOTGVXAUSA-N 2 0 328.460 3.155 20 0 EGADRP c1cncc([C@@H]2CCC[N@H+]2Cc2cccc(CN3CCOCC3)c2)c1 ZINC000420933343 309302199 /nfs/dbraw/zinc/30/21/99/309302199.db2.gz ICGZBYOYQVRLTI-NRFANRHFSA-N 2 0 337.467 3.251 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000421821104 309341513 /nfs/dbraw/zinc/34/15/13/309341513.db2.gz PMENTDKPEHPDLD-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP COC1([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000421840264 309342614 /nfs/dbraw/zinc/34/26/14/309342614.db2.gz YLZMJPMHVMBOMD-QGZVFWFLSA-N 2 0 334.504 3.107 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000421844508 309342956 /nfs/dbraw/zinc/34/29/56/309342956.db2.gz UDKYKWYZNYIZQG-YLJYHZDGSA-N 2 0 346.515 3.081 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@H]1C[NH3+] ZINC000422563680 309361857 /nfs/dbraw/zinc/36/18/57/309361857.db2.gz UGVSVCPYCBWWJA-NDUPCHFUSA-N 2 0 332.488 3.050 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422687274 309363411 /nfs/dbraw/zinc/36/34/11/309363411.db2.gz BIBKYNSRTMEAKT-QAPCUYQASA-N 2 0 327.428 3.100 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422703182 309363921 /nfs/dbraw/zinc/36/39/21/309363921.db2.gz MIZDCBTUJCKLAF-NSHDSACASA-N 2 0 347.846 3.124 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422710697 309364239 /nfs/dbraw/zinc/36/42/39/309364239.db2.gz LYVVEWLQCBZVBF-KBPBESRZSA-N 2 0 329.419 3.293 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422713382 309364379 /nfs/dbraw/zinc/36/43/79/309364379.db2.gz JORIZGJVZNTIEK-BAGYTPMASA-N 2 0 343.559 3.451 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422717764 309364672 /nfs/dbraw/zinc/36/46/72/309364672.db2.gz PCKRVPTUNBCLFM-MJGOQNOKSA-N 2 0 329.488 3.422 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC000422719153 309364918 /nfs/dbraw/zinc/36/49/18/309364918.db2.gz XQISEMJRPPHEHM-IHPCNDPISA-N 2 0 345.531 3.329 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000422719154 309365002 /nfs/dbraw/zinc/36/50/02/309365002.db2.gz XQISEMJRPPHEHM-RLLQIKCJSA-N 2 0 345.531 3.329 20 0 EGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H](C)CCC[NH3+])cn1 ZINC000422723603 309365138 /nfs/dbraw/zinc/36/51/38/309365138.db2.gz RYIIUANKAWCDAF-CQSZACIVSA-N 2 0 345.443 3.108 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422727332 309365214 /nfs/dbraw/zinc/36/52/14/309365214.db2.gz CDKIWFJCQPZAPE-UHOSZYNNSA-N 2 0 343.540 3.433 20 0 EGADRP CC[C@@H](C(=O)Nc1ccccc1C[NH2+]C)[N@H+](C)Cc1ccccc1 ZINC000422729410 309365561 /nfs/dbraw/zinc/36/55/61/309365561.db2.gz BQTHLSVZUDMIKM-IBGZPJMESA-N 2 0 325.456 3.255 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)c2ccccc2)CC1 ZINC000422731370 309365696 /nfs/dbraw/zinc/36/56/96/309365696.db2.gz GXXXUBMDWDLTHX-HLAWJBBLSA-N 2 0 329.532 3.437 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422733992 309365704 /nfs/dbraw/zinc/36/57/04/309365704.db2.gz BVNZQUMBFGKUSY-QUCCMNQESA-N 3 0 347.547 3.070 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)CC[NH2+]CC1 ZINC000422748262 309366523 /nfs/dbraw/zinc/36/65/23/309366523.db2.gz SWACFMVARCLJBM-IRXDYDNUSA-N 2 0 332.488 3.275 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422751440 309366594 /nfs/dbraw/zinc/36/65/94/309366594.db2.gz COYIKPSDYRSEIR-WMZOPIPTSA-N 2 0 332.488 3.357 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422757550 309366831 /nfs/dbraw/zinc/36/68/31/309366831.db2.gz JQGOZOVWTGUTGL-HZPDHXFCSA-N 2 0 342.405 3.223 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422757115 309366884 /nfs/dbraw/zinc/36/68/84/309366884.db2.gz JMMLDVWSMBBLAD-JYJNAYRXSA-N 2 0 332.536 3.256 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000422772228 309367530 /nfs/dbraw/zinc/36/75/30/309367530.db2.gz SBWDNXMPNUPQDK-AWEZNQCLSA-N 2 0 325.456 3.488 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422824301 309370316 /nfs/dbraw/zinc/37/03/16/309370316.db2.gz NKAROJGMNBRLKD-HOTGVXAUSA-N 2 0 330.394 3.373 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422826863 309370621 /nfs/dbraw/zinc/37/06/21/309370621.db2.gz RHLMZLNKUSQHCU-IKGGRYGDSA-N 2 0 332.488 3.090 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422834252 309370918 /nfs/dbraw/zinc/37/09/18/309370918.db2.gz XBTFXFNGKNPIOL-OKZBNKHCSA-N 2 0 332.488 3.494 20 0 EGADRP c1ccc([C@H]2C[C@H](NC3CC[NH+](C4CCCC4)CC3)CC[NH2+]2)cc1 ZINC000422838546 309371122 /nfs/dbraw/zinc/37/11/22/309371122.db2.gz OSHPXQSIDIUBKS-TZIWHRDSSA-N 2 0 327.516 3.476 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422845360 309371692 /nfs/dbraw/zinc/37/16/92/309371692.db2.gz BREBRSHEEGKOOQ-BEVDRBHNSA-N 2 0 332.488 3.240 20 0 EGADRP COc1ccc([C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422857033 309372162 /nfs/dbraw/zinc/37/21/62/309372162.db2.gz GMLWCMVAZGYVGU-QMMLZNLJSA-N 2 0 343.515 3.095 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422855127 309372195 /nfs/dbraw/zinc/37/21/95/309372195.db2.gz UWRFZAJCXGVPGM-CQJMVSDSSA-N 2 0 334.426 3.102 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422855132 309372216 /nfs/dbraw/zinc/37/22/16/309372216.db2.gz UWRFZAJCXGVPGM-XFIYOXNOSA-N 2 0 334.426 3.102 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422859882 309372431 /nfs/dbraw/zinc/37/24/31/309372431.db2.gz LEHUHBANHUJBIY-PKOBYXMFSA-N 2 0 326.488 3.315 20 0 EGADRP CC[C@H]([NH2+]CCc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422862309 309372510 /nfs/dbraw/zinc/37/25/10/309372510.db2.gz NLZAMMMRDZYPKA-PMACEKPBSA-N 2 0 326.488 3.152 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000422873556 309373276 /nfs/dbraw/zinc/37/32/76/309373276.db2.gz LOJKNNMIRHPKPS-XWDORNJCSA-N 2 0 326.484 3.089 20 0 EGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422874048 309373319 /nfs/dbraw/zinc/37/33/19/309373319.db2.gz BYUNZOOEEVZYID-DLBZAZTESA-N 2 0 339.483 3.140 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422883045 309373851 /nfs/dbraw/zinc/37/38/51/309373851.db2.gz UDEYGHRJLUWLDT-XUVXKRRUSA-N 2 0 346.490 3.384 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882948 309373859 /nfs/dbraw/zinc/37/38/59/309373859.db2.gz PQUXZBBZCVXFCX-JTJHWIPRSA-N 3 0 331.548 3.293 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884092 309373998 /nfs/dbraw/zinc/37/39/98/309373998.db2.gz RSDYMNMXGFPVGC-IXDOHACOSA-N 3 0 332.536 3.257 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)Cc2ccc(C)cc2C)CC[NH2+]CC1 ZINC000422886493 309374338 /nfs/dbraw/zinc/37/43/38/309374338.db2.gz JFLRODWYMSKMGF-QZTJIDSGSA-N 2 0 346.515 3.145 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422889806 309374510 /nfs/dbraw/zinc/37/45/10/309374510.db2.gz GWXLAKGRYJSDKJ-UONOGXRCSA-N 2 0 329.419 3.293 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000422890130 309374528 /nfs/dbraw/zinc/37/45/28/309374528.db2.gz RGZBSGMJMFWAFZ-SJORKVTESA-N 2 0 332.488 3.275 20 0 EGADRP CCOc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422905450 309375473 /nfs/dbraw/zinc/37/54/73/309375473.db2.gz SDXKMKPRBREVIQ-CTNGQTDRSA-N 2 0 338.451 3.431 20 0 EGADRP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422917030 309376097 /nfs/dbraw/zinc/37/60/97/309376097.db2.gz FHTOMIIYDGBDQG-FUHIMQAGSA-N 2 0 331.504 3.240 20 0 EGADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)cc1 ZINC000422925910 309376341 /nfs/dbraw/zinc/37/63/41/309376341.db2.gz VVQUBQPJWQYBKW-GQWLDOHISA-N 2 0 340.467 3.204 20 0 EGADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926916 309376433 /nfs/dbraw/zinc/37/64/33/309376433.db2.gz FBSMWCIOESQWEP-SLFFLAALSA-N 2 0 328.500 3.146 20 0 EGADRP CC[C@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422932803 309376858 /nfs/dbraw/zinc/37/68/58/309376858.db2.gz GVZPHPHTYDDLHX-GJZGRUSLSA-N 2 0 329.257 3.251 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422934635 309376983 /nfs/dbraw/zinc/37/69/83/309376983.db2.gz CSZCPLGKPHBTHK-XMTFNYHQSA-N 2 0 330.472 3.419 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000422940564 309377391 /nfs/dbraw/zinc/37/73/91/309377391.db2.gz HBKZRCBUNIIPDO-LPHOPBHVSA-N 2 0 325.456 3.474 20 0 EGADRP C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000422943851 309377411 /nfs/dbraw/zinc/37/74/11/309377411.db2.gz YUIJUXCDCTZSDO-XPGWFJOJSA-N 2 0 328.431 3.272 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc2c(c1)OCCO2 ZINC000422950704 309377703 /nfs/dbraw/zinc/37/77/03/309377703.db2.gz WNYCFAXARWAXNB-RDTXWAMCSA-N 2 0 341.455 3.422 20 0 EGADRP c1cc(OC2CCCC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422949846 309377736 /nfs/dbraw/zinc/37/77/36/309377736.db2.gz WUHMCSSTBRIWTG-PCCBWWKXSA-N 2 0 344.499 3.255 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422952412 309377840 /nfs/dbraw/zinc/37/78/40/309377840.db2.gz BAIQEGDANSLROC-LBPRGKRZSA-N 2 0 330.501 3.077 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422956588 309378107 /nfs/dbraw/zinc/37/81/07/309378107.db2.gz LMUAWBXTHXMFEY-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422958883 309378354 /nfs/dbraw/zinc/37/83/54/309378354.db2.gz ZFRHUZBDWJUCEH-YOEHRIQHSA-N 2 0 329.513 3.113 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422963245 309378515 /nfs/dbraw/zinc/37/85/15/309378515.db2.gz FJLNFSDVNLNKGQ-DZFGPLHGSA-N 2 0 340.511 3.337 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422962925 309378571 /nfs/dbraw/zinc/37/85/71/309378571.db2.gz HBRSMDQZNUEUOZ-FXAWDEMLSA-N 2 0 326.488 3.220 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccco1 ZINC000422973403 309379043 /nfs/dbraw/zinc/37/90/43/309379043.db2.gz OKVBIZOQVRALTR-QXAKKESOSA-N 2 0 329.488 3.211 20 0 EGADRP COc1cccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423004368 309380375 /nfs/dbraw/zinc/38/03/75/309380375.db2.gz OTZZKFPCTNWUAO-CQSZACIVSA-N 2 0 327.472 3.486 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(OC2CCC2)n1 ZINC000423015110 309380980 /nfs/dbraw/zinc/38/09/80/309380980.db2.gz QLWGHDHDSDAPLZ-CEXWTWQISA-N 2 0 329.488 3.413 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015514 309381159 /nfs/dbraw/zinc/38/11/59/309381159.db2.gz RIBMGIBNMQLLHK-ZJUUUORDSA-N 2 0 339.789 3.238 20 0 EGADRP FC(F)(F)CSCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423015848 309381180 /nfs/dbraw/zinc/38/11/80/309381180.db2.gz LLOCSQQVOFQCES-UKRRQHHQSA-N 2 0 346.418 3.127 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015512 309381237 /nfs/dbraw/zinc/38/12/37/309381237.db2.gz RIBMGIBNMQLLHK-UWVGGRQHSA-N 2 0 339.789 3.238 20 0 EGADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423019238 309381270 /nfs/dbraw/zinc/38/12/70/309381270.db2.gz UUKVWADFMSIDTN-ZQGRQUNCSA-N 2 0 343.471 3.284 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000423028267 309381909 /nfs/dbraw/zinc/38/19/09/309381909.db2.gz SMLMLMNYJLICRU-WZGPROSRSA-N 2 0 346.515 3.393 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423030480 309381984 /nfs/dbraw/zinc/38/19/84/309381984.db2.gz JYCNVJQQHOCVEE-DZGCQCFKSA-N 2 0 341.293 3.107 20 0 EGADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423043770 309382516 /nfs/dbraw/zinc/38/25/16/309382516.db2.gz PXERLRSZFJUPEX-FNBIGBAISA-N 2 0 332.414 3.230 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423042375 309382544 /nfs/dbraw/zinc/38/25/44/309382544.db2.gz KWJBMSIRLORWFZ-GDZNZVCISA-N 2 0 325.859 3.165 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423061284 309383731 /nfs/dbraw/zinc/38/37/31/309383731.db2.gz QLQWNGUPTDTIMJ-MAZHCROVSA-N 2 0 342.405 3.079 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423070689 309384304 /nfs/dbraw/zinc/38/43/04/309384304.db2.gz NKCVIEXCJROCAT-YUELXQCFSA-N 2 0 328.287 3.432 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423072606 309384510 /nfs/dbraw/zinc/38/45/10/309384510.db2.gz PUZGHRSNOXAFGM-HSALFYBXSA-N 2 0 332.488 3.031 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090805 309385367 /nfs/dbraw/zinc/38/53/67/309385367.db2.gz WFROTACUFLIBBD-UKRRQHHQSA-N 2 0 340.309 3.135 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093867 309385540 /nfs/dbraw/zinc/38/55/40/309385540.db2.gz IUEHOKMUMVVNAK-CJNGLKHVSA-N 2 0 330.394 3.148 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423095091 309385707 /nfs/dbraw/zinc/38/57/07/309385707.db2.gz LJFVPODYEGTJCK-MUMJOVGASA-N 2 0 342.405 3.293 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000423104965 309386062 /nfs/dbraw/zinc/38/60/62/309386062.db2.gz HVBRPFAFUQVLCP-DZUCGIPZSA-N 2 0 348.491 3.068 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000423104967 309386091 /nfs/dbraw/zinc/38/60/91/309386091.db2.gz HVBRPFAFUQVLCP-SVGFKBNWSA-N 2 0 348.491 3.068 20 0 EGADRP Clc1ccc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423111548 309386485 /nfs/dbraw/zinc/38/64/85/309386485.db2.gz WHCIGOAAYGRVFB-ARFHVFGLSA-N 2 0 342.936 3.471 20 0 EGADRP CC(C)Oc1ccc([C@@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423121818 309387072 /nfs/dbraw/zinc/38/70/72/309387072.db2.gz JCGLVUHCRNCTKJ-NSISKUIASA-N 2 0 333.520 3.197 20 0 EGADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423123753 309387099 /nfs/dbraw/zinc/38/70/99/309387099.db2.gz NFZSQZJDZZJQKB-FDKIHUSFSA-N 2 0 328.500 3.053 20 0 EGADRP CC[C@H](NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423125215 309387297 /nfs/dbraw/zinc/38/72/97/309387297.db2.gz NKXKOCBBCGJWCL-SLFFLAALSA-N 2 0 333.520 3.197 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCCC23CCCC3)CC[NH2+]CC1 ZINC000423132702 309387608 /nfs/dbraw/zinc/38/76/08/309387608.db2.gz BYQIOMPQYROFBC-SJORKVTESA-N 2 0 336.520 3.400 20 0 EGADRP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423146660 309388432 /nfs/dbraw/zinc/38/84/32/309388432.db2.gz PWTGKYHKWJMEMD-HSANBRHQSA-N 2 0 334.891 3.333 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423157828 309388776 /nfs/dbraw/zinc/38/87/76/309388776.db2.gz VYTTYJHKFJBSKH-LLVKDONJSA-N 2 0 337.826 3.371 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCC2)c2ccccc21 ZINC000423177214 309389410 /nfs/dbraw/zinc/38/94/10/309389410.db2.gz IJWPNVFCQCIRLS-ZWKOTPCHSA-N 2 0 330.472 3.419 20 0 EGADRP Fc1cc(Br)ccc1[C@@H](N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423184917 309389516 /nfs/dbraw/zinc/38/95/16/309389516.db2.gz IZMFPWYKYRPOJR-DOMZBBRYSA-N 2 0 327.241 3.381 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCc2sc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423221964 309391270 /nfs/dbraw/zinc/39/12/70/309391270.db2.gz YXQZAELOFGZMCH-HOSYDEDBSA-N 2 0 329.307 3.476 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250016 309392358 /nfs/dbraw/zinc/39/23/58/309392358.db2.gz PURWBAHXHKYRSO-ZUZCIYMTSA-N 2 0 327.241 3.165 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000423257561 309392675 /nfs/dbraw/zinc/39/26/75/309392675.db2.gz KAHYTEFRASRGBQ-OLZOCXBDSA-N 2 0 341.293 3.498 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423259783 309392874 /nfs/dbraw/zinc/39/28/74/309392874.db2.gz OWACNNAYNKEDJJ-CHWSQXEVSA-N 2 0 341.293 3.498 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423271563 309393328 /nfs/dbraw/zinc/39/33/28/309393328.db2.gz IVUMFUGUDOZJMG-WSWWRLHASA-N 3 0 341.543 3.409 20 0 EGADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423284082 309393927 /nfs/dbraw/zinc/39/39/27/309393927.db2.gz XPVKZYHOBSPNPJ-PLACYPQZSA-N 3 0 329.532 3.250 20 0 EGADRP CCC([NH3+])(CC)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423286322 309394145 /nfs/dbraw/zinc/39/41/45/309394145.db2.gz GNXOYXRECPGMBK-XUVXKRRUSA-N 2 0 329.532 3.394 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423301419 309394509 /nfs/dbraw/zinc/39/45/09/309394509.db2.gz GDKYOLPTVYCXRA-BONVTDFDSA-N 2 0 336.277 3.492 20 0 EGADRP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000423322930 309395210 /nfs/dbraw/zinc/39/52/10/309395210.db2.gz HOBQAGDHWSIQAW-GOSISDBHSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423337393 309395910 /nfs/dbraw/zinc/39/59/10/309395910.db2.gz QVLURKSPUPZVSA-MRXNPFEDSA-N 2 0 338.455 3.303 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423345017 309396318 /nfs/dbraw/zinc/39/63/18/309396318.db2.gz NLUWGEQZVOGERC-OAHLLOKOSA-N 2 0 330.476 3.131 20 0 EGADRP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423350268 309396513 /nfs/dbraw/zinc/39/65/13/309396513.db2.gz XDHORTWIFNOHDJ-YMTOWFKASA-N 2 0 329.669 3.289 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@@H](C)[NH3+] ZINC000423373589 309397608 /nfs/dbraw/zinc/39/76/08/309397608.db2.gz HSHVSFDTTYCOTR-YLJYHZDGSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423371307 309397664 /nfs/dbraw/zinc/39/76/64/309397664.db2.gz FITLARXIYRVLSZ-MSEOUXRUSA-N 2 0 341.543 3.407 20 0 EGADRP COCC1(C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC[NH2+]CC1 ZINC000423396255 309398503 /nfs/dbraw/zinc/39/85/03/309398503.db2.gz BAZWEZOGTNZIIQ-MSOLQXFVSA-N 2 0 331.504 3.022 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CCCC1)c1ccccc1 ZINC000423407007 309398979 /nfs/dbraw/zinc/39/89/79/309398979.db2.gz LMJFVLCLHHWWBJ-SCTDSRPQSA-N 2 0 343.515 3.154 20 0 EGADRP COCC1(C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC[NH2+]CC1 ZINC000423413089 309399088 /nfs/dbraw/zinc/39/90/88/309399088.db2.gz YAPMUBLYOIWYIH-GXTWGEPZSA-N 2 0 326.531 3.279 20 0 EGADRP C[C@H]1[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423427072 309399815 /nfs/dbraw/zinc/39/98/15/309399815.db2.gz FQKSXZQNHPTMIJ-VRXWPRPYSA-N 2 0 327.516 3.017 20 0 EGADRP Brc1cc2c(s1)CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423447843 309400803 /nfs/dbraw/zinc/40/08/03/309400803.db2.gz UMSRZEOIRWOFKH-CYZMBNFOSA-N 2 0 341.318 3.476 20 0 EGADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OCc2nccn2C)cc1 ZINC000423475442 309401693 /nfs/dbraw/zinc/40/16/93/309401693.db2.gz HXYQCRRZLSZPDS-FUHWJXTLSA-N 2 0 342.487 3.182 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)cc1 ZINC000423535485 309405485 /nfs/dbraw/zinc/40/54/85/309405485.db2.gz XVGDQGPKACMAKQ-XZOQPEGZSA-N 2 0 349.522 3.039 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000430933602 309621432 /nfs/dbraw/zinc/62/14/32/309621432.db2.gz IZICKTOVLXNMJX-RYUDHWBXSA-N 2 0 343.393 3.092 20 0 EGADRP COc1ccccc1-c1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1 ZINC000430933899 309621529 /nfs/dbraw/zinc/62/15/29/309621529.db2.gz KABNXYPVHLLRGA-ZDUSSCGKSA-N 2 0 331.485 3.378 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430954275 309622080 /nfs/dbraw/zinc/62/20/80/309622080.db2.gz WCUWHDHGRBUTBA-LBPRGKRZSA-N 2 0 332.366 3.023 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437779034 309799430 /nfs/dbraw/zinc/79/94/30/309799430.db2.gz BOIFKCCPYLCIOD-QFWMXSHPSA-N 2 0 329.257 3.379 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000449137361 310039639 /nfs/dbraw/zinc/03/96/39/310039639.db2.gz XTXYIODVEDNXED-POAQFYNOSA-N 2 0 349.950 3.277 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000449203875 310044352 /nfs/dbraw/zinc/04/43/52/310044352.db2.gz IJEPODNMPXXBKR-MAODMQOUSA-N 2 0 328.500 3.239 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449224274 310045793 /nfs/dbraw/zinc/04/57/93/310045793.db2.gz QGJMCMAZVDUPME-QGZVFWFLSA-N 2 0 330.472 3.295 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449233766 310046604 /nfs/dbraw/zinc/04/66/04/310046604.db2.gz MXXDITHDOPKDCN-WOJBJXKFSA-N 2 0 328.500 3.456 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449582876 310073865 /nfs/dbraw/zinc/07/38/65/310073865.db2.gz HJYWOBOQVUVMDM-AITUJVMLSA-N 2 0 336.520 3.351 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000449799806 310087951 /nfs/dbraw/zinc/08/79/51/310087951.db2.gz AWRIUEVMQASCET-ZWKOTPCHSA-N 2 0 349.544 3.264 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000450334222 310116173 /nfs/dbraw/zinc/11/61/73/310116173.db2.gz ZIUMKCYEAYHXBU-GOSISDBHSA-N 2 0 339.483 3.346 20 0 EGADRP CC(C)N1CCCC[C@H]1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643828 310134781 /nfs/dbraw/zinc/13/47/81/310134781.db2.gz ROJXCUFWQIIYLD-NRFANRHFSA-N 2 0 344.547 3.493 20 0 EGADRP C[C@@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CCN1C1CC[NH+](C)CC1 ZINC000450653405 310135203 /nfs/dbraw/zinc/13/52/03/310135203.db2.gz OUVFSJZHJUIJIM-GWVGAJKQSA-N 2 0 345.575 3.303 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000451981901 310206414 /nfs/dbraw/zinc/20/64/14/310206414.db2.gz JEVYGGKSCJSGIC-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453098139 310257677 /nfs/dbraw/zinc/25/76/77/310257677.db2.gz ZVRWWOPQIJIEDB-HBMCJLEFSA-N 2 0 338.499 3.224 20 0 EGADRP c1ccc2c(c1)CCC([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000453115581 310258844 /nfs/dbraw/zinc/25/88/44/310258844.db2.gz VAQDYPIHNSYSHT-QGZVFWFLSA-N 2 0 328.500 3.025 20 0 EGADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453117431 310258982 /nfs/dbraw/zinc/25/89/82/310258982.db2.gz KQPHDBMCFTZQBC-JSXRDJHFSA-N 2 0 330.516 3.426 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2COc3ccc(OC)cc3C2)c1 ZINC000453117456 310259087 /nfs/dbraw/zinc/25/90/87/310259087.db2.gz ZEWAIJXAXAMRIL-IBGZPJMESA-N 2 0 340.467 3.240 20 0 EGADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453127725 310259840 /nfs/dbraw/zinc/25/98/40/310259840.db2.gz LXCNVQSASNTHMQ-PMXSJFBMSA-N 2 0 330.516 3.428 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)(C)C ZINC000453137416 310260267 /nfs/dbraw/zinc/26/02/67/310260267.db2.gz GILQMPQKADDGTE-SFHVURJKSA-N 2 0 333.520 3.282 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453159419 310261504 /nfs/dbraw/zinc/26/15/04/310261504.db2.gz LQDQXXNLXGSBBH-YADHBBJMSA-N 2 0 342.527 3.292 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453176285 310262478 /nfs/dbraw/zinc/26/24/78/310262478.db2.gz LSENVFOKCOUVBQ-RTBURBONSA-N 2 0 334.891 3.282 20 0 EGADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C[NH+](C)C ZINC000453225825 310265352 /nfs/dbraw/zinc/26/53/52/310265352.db2.gz CBVLDGLWLOAXHN-WLRLJWMZSA-N 2 0 329.532 3.217 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ncccc2C)[C@@H](C)C1 ZINC000453306964 310270248 /nfs/dbraw/zinc/27/02/48/310270248.db2.gz KWDGZYALQJQDJV-ICSRJNTNSA-N 2 0 333.520 3.049 20 0 EGADRP C[C@@H](NCC[N@@H+]1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453401625 310275111 /nfs/dbraw/zinc/27/51/11/310275111.db2.gz PJQPVCBDVXNUAQ-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000453407466 310275310 /nfs/dbraw/zinc/27/53/10/310275310.db2.gz RWXNXUGYYUZDCF-UYAOXDASSA-N 3 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000453407464 310275317 /nfs/dbraw/zinc/27/53/17/310275317.db2.gz RWXNXUGYYUZDCF-ICSRJNTNSA-N 3 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cnn(Cc2ccccc2)c1 ZINC000453408259 310275521 /nfs/dbraw/zinc/27/55/21/310275521.db2.gz SRSHGTYIHNAUIM-KRWDZBQOSA-N 2 0 326.488 3.456 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCC[NH+]3CCCCC3)ccc21 ZINC000455880806 310380853 /nfs/dbraw/zinc/38/08/53/310380853.db2.gz SFHFEXGLWAUWNA-IBGZPJMESA-N 2 0 344.503 3.233 20 0 EGADRP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455914198 310382127 /nfs/dbraw/zinc/38/21/27/310382127.db2.gz JXDBLIVFRJETER-KBXCAEBGSA-N 2 0 332.492 3.087 20 0 EGADRP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000456266438 310395728 /nfs/dbraw/zinc/39/57/28/310395728.db2.gz IFXXDMSMRZPINA-GJRWTSMGSA-N 2 0 329.488 3.435 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000487181895 311014231 /nfs/dbraw/zinc/01/42/31/311014231.db2.gz BGDXVYRJMDTYRA-SXLOBPIMSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000488595604 311072807 /nfs/dbraw/zinc/07/28/07/311072807.db2.gz XSWFUFXIVRMUNA-HXUWFJFHSA-N 2 0 331.548 3.417 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Br)C[NH+](C)C ZINC000491546006 311184113 /nfs/dbraw/zinc/18/41/13/311184113.db2.gz MAKVDMDIKZWRJU-NEPJUHHUSA-N 2 0 331.273 3.307 20 0 EGADRP C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000492353044 311241190 /nfs/dbraw/zinc/24/11/90/311241190.db2.gz QLABYVNVVYVSQU-SFHLNBCPSA-N 2 0 329.532 3.219 20 0 EGADRP CC1(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[NH2+]CC1 ZINC000497304038 311852593 /nfs/dbraw/zinc/85/25/93/311852593.db2.gz KIAVBSXFSZVPNU-KRWDZBQOSA-N 2 0 345.487 3.019 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000506263066 312046064 /nfs/dbraw/zinc/04/60/64/312046064.db2.gz HWJIYHZBYZLUDP-TZIWHRDSSA-N 2 0 345.531 3.324 20 0 EGADRP Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000507464306 312073454 /nfs/dbraw/zinc/07/34/54/312073454.db2.gz WSBPMYATRIYRJS-ILWGZMRPSA-N 2 0 336.479 3.435 20 0 EGADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507485106 312074625 /nfs/dbraw/zinc/07/46/25/312074625.db2.gz KRWFVGYKAYSDIZ-OFOKGCAXSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507503578 312075167 /nfs/dbraw/zinc/07/51/67/312075167.db2.gz AOQQISKNDLMORR-RYFAJOAYSA-N 2 0 341.543 3.361 20 0 EGADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507521208 312076062 /nfs/dbraw/zinc/07/60/62/312076062.db2.gz WHHKEZIOXYTMDB-PFAUGDHASA-N 2 0 328.500 3.302 20 0 EGADRP C[C@H](C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508191079 312090469 /nfs/dbraw/zinc/09/04/69/312090469.db2.gz ARNLJVHZEXINND-CEXWTWQISA-N 2 0 349.563 3.362 20 0 EGADRP Cc1cc(F)ccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512177843 312178255 /nfs/dbraw/zinc/17/82/55/312178255.db2.gz GJUDAYRKGJUZES-CALCHBBNSA-N 2 0 334.479 3.455 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000512261188 312180743 /nfs/dbraw/zinc/18/07/43/312180743.db2.gz NOKYEGJKQNBZIA-KRWDZBQOSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000514667046 312237418 /nfs/dbraw/zinc/23/74/18/312237418.db2.gz JHMSTVDKCSLTES-MRXNPFEDSA-N 2 0 325.294 3.284 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000514856397 312249686 /nfs/dbraw/zinc/24/96/86/312249686.db2.gz ZFTAJHFSMAJWQK-DYESRHJHSA-N 2 0 339.483 3.052 20 0 EGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000514862838 312250374 /nfs/dbraw/zinc/25/03/74/312250374.db2.gz KVUWERXFMALFBL-DOTOQJQBSA-N 2 0 344.503 3.039 20 0 EGADRP CC(C)CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000516275809 312318879 /nfs/dbraw/zinc/31/88/79/312318879.db2.gz ZKXZQUJNNPDYRK-LJQANCHMSA-N 2 0 331.504 3.045 20 0 EGADRP C[C@H]1C[N@H+](CCCNCc2ncc(C(C)(C)C)s2)CCCO1 ZINC000516920877 312350979 /nfs/dbraw/zinc/35/09/79/312350979.db2.gz PTCZVDSOPNQNMB-AWEZNQCLSA-N 2 0 325.522 3.031 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cn2)c1 ZINC000516921225 312350900 /nfs/dbraw/zinc/35/09/00/312350900.db2.gz SDIPYGGVQIAJBZ-KXBFYZLASA-N 2 0 341.455 3.360 20 0 EGADRP COC(=O)[C@@]1(C)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000536666508 314136575 /nfs/dbraw/zinc/13/65/75/314136575.db2.gz NAEGHPHBXYXAEE-FQEVSTJZSA-N 2 0 332.488 3.030 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000536849621 314149567 /nfs/dbraw/zinc/14/95/67/314149567.db2.gz CRFBPOVLBBBDHV-RZTDZLQYSA-N 2 0 346.490 3.417 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2c(C)cccc2C)[C@H](C)C1 ZINC000536876429 314151467 /nfs/dbraw/zinc/15/14/67/314151467.db2.gz KXYVSPIHPKCPDN-WOJBJXKFSA-N 2 0 348.531 3.409 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000539063875 314293707 /nfs/dbraw/zinc/29/37/07/314293707.db2.gz YGJXATVXXFGFIA-PWRODBHTSA-N 2 0 328.500 3.495 20 0 EGADRP C[C@H]([NH2+]CCOc1ccccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000539071007 314294598 /nfs/dbraw/zinc/29/45/98/314294598.db2.gz CHOLDDZJHXBZGF-INIZCTEOSA-N 2 0 346.446 3.496 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214237 /nfs/dbraw/zinc/21/42/37/315214237.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 2 0 341.543 3.361 20 0 EGADRP COc1ccc(-c2cnc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000563670483 316053247 /nfs/dbraw/zinc/05/32/47/316053247.db2.gz RQRREPLVZFQMMV-SJLPKXTDSA-N 2 0 341.455 3.314 20 0 EGADRP COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000563748015 316064177 /nfs/dbraw/zinc/06/41/77/316064177.db2.gz OQZBSWKCLMVJTE-WIYYLYMNSA-N 2 0 326.484 3.354 20 0 EGADRP C[C@H]1[C@H](NC(=O)Nc2ccn3ccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000563786150 316067892 /nfs/dbraw/zinc/06/78/92/316067892.db2.gz GKVXQRQDUVAESG-MAUKXSAKSA-N 2 0 349.438 3.119 20 0 EGADRP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000564196189 316122960 /nfs/dbraw/zinc/12/29/60/316122960.db2.gz NHFNOGUWGJHJOD-HKUYNNGSSA-N 2 0 348.535 3.096 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)C1 ZINC000564584455 316171154 /nfs/dbraw/zinc/17/11/54/316171154.db2.gz FWSCOUYSTFIIOY-HZSPNIEDSA-N 2 0 327.394 3.144 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000564587879 316171801 /nfs/dbraw/zinc/17/18/01/316171801.db2.gz ODGBFRGMAFNJGI-WTLGNFPFSA-N 2 0 331.479 3.417 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000564822550 316212176 /nfs/dbraw/zinc/21/21/76/316212176.db2.gz DOIIKKLCCZGDCZ-NEWSRXKRSA-N 2 0 344.503 3.193 20 0 EGADRP COc1ccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)cc1 ZINC000565602090 316345618 /nfs/dbraw/zinc/34/56/18/316345618.db2.gz AMALTPLFLLPJMX-UHFFFAOYSA-N 2 0 331.485 3.380 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000565690422 316356009 /nfs/dbraw/zinc/35/60/09/316356009.db2.gz TXBDLEIXEXEJKA-KAGYGMCKSA-N 2 0 341.543 3.361 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000565707999 316359654 /nfs/dbraw/zinc/35/96/54/316359654.db2.gz JGHOLQNEMZUBNJ-SFHVURJKSA-N 2 0 340.467 3.033 20 0 EGADRP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000566088759 316414282 /nfs/dbraw/zinc/41/42/82/316414282.db2.gz JZJOCTIFUQATRG-CQSZACIVSA-N 2 0 327.241 3.165 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000566245641 316441697 /nfs/dbraw/zinc/44/16/97/316441697.db2.gz ZIJGEHNQOWDUBI-AWEZNQCLSA-N 2 0 338.455 3.280 20 0 EGADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000567641628 316648308 /nfs/dbraw/zinc/64/83/08/316648308.db2.gz YWINGBRRBBCQND-CYFNAFFESA-N 2 0 341.455 3.068 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000567645837 316648653 /nfs/dbraw/zinc/64/86/53/316648653.db2.gz CMALVMYFMLJNGF-OUENDJJVSA-N 2 0 326.843 3.287 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000570606622 317080268 /nfs/dbraw/zinc/08/02/68/317080268.db2.gz XQLBFMATAFUQJB-MSOLQXFVSA-N 2 0 331.504 3.340 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000570694621 317095357 /nfs/dbraw/zinc/09/53/57/317095357.db2.gz QKNHDEAKUMVQQP-UHFFFAOYSA-N 2 0 339.483 3.147 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(C(=O)OC)n2)CC1 ZINC000571014706 317138887 /nfs/dbraw/zinc/13/88/87/317138887.db2.gz QJGYVROREZCTJG-UHFFFAOYSA-N 2 0 347.503 3.202 20 0 EGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000572148943 317298552 /nfs/dbraw/zinc/29/85/52/317298552.db2.gz KWMGIZXFRXQLOO-XLIONFOSSA-N 2 0 348.531 3.145 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000574031629 317553615 /nfs/dbraw/zinc/55/36/15/317553615.db2.gz GCENVEXGZROEOE-JPODWNTLSA-N 2 0 325.431 3.416 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000574630336 317619194 /nfs/dbraw/zinc/61/91/94/317619194.db2.gz STNDYIYNLPPULR-DSKINZAPSA-N 2 0 344.499 3.021 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000179225582 323375863 /nfs/dbraw/zinc/37/58/63/323375863.db2.gz ZRBGOTOJWXCGNJ-JTQLQIEISA-N 2 0 332.311 3.288 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379664183 324240693 /nfs/dbraw/zinc/24/06/93/324240693.db2.gz OFNZUNZJVTWJOS-XUVXKRRUSA-N 2 0 343.515 3.065 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881882 324264565 /nfs/dbraw/zinc/26/45/65/324264565.db2.gz BVKLWVLHIHPCLA-BHDDXSALSA-N 2 0 341.543 3.315 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881916 324265040 /nfs/dbraw/zinc/26/50/40/324265040.db2.gz BVKLWVLHIHPCLA-YPAWHYETSA-N 2 0 341.543 3.315 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000576640061 324653555 /nfs/dbraw/zinc/65/35/55/324653555.db2.gz OXTMPDLECOGZQA-QAPCUYQASA-N 2 0 349.544 3.102 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000578427242 324967174 /nfs/dbraw/zinc/96/71/74/324967174.db2.gz XHUOKNNQWDPZMJ-IZZQQSIFSA-N 2 0 334.504 3.453 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000578727352 325009245 /nfs/dbraw/zinc/00/92/45/325009245.db2.gz DQFUWYDBKBAILK-AWEZNQCLSA-N 2 0 325.294 3.238 20 0 EGADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1F ZINC000579717572 325150386 /nfs/dbraw/zinc/15/03/86/325150386.db2.gz DHJDPMSXZPBTSN-GJZGRUSLSA-N 2 0 347.409 3.441 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCCC[NH2+]3)cc2)C1 ZINC000580314849 325233682 /nfs/dbraw/zinc/23/36/82/325233682.db2.gz KWEZNMQAXAXQBV-VQIMIIECSA-N 2 0 329.488 3.389 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3c(C)cccc3C2)[C@@H](C)C1 ZINC000580606421 325272315 /nfs/dbraw/zinc/27/23/15/325272315.db2.gz ZWNPRCOKKSJFTI-IHPCNDPISA-N 2 0 346.515 3.025 20 0 EGADRP Cn1cc(-c2ccc(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)s2)cn1 ZINC000580713872 325287316 /nfs/dbraw/zinc/28/73/16/325287316.db2.gz MYUVCNMMQUDQOS-DLBZAZTESA-N 2 0 330.501 3.255 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000580906823 325308422 /nfs/dbraw/zinc/30/84/22/325308422.db2.gz OAYPWQWIOHBUFI-IBGZPJMESA-N 2 0 340.467 3.110 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000580932993 325310692 /nfs/dbraw/zinc/31/06/92/325310692.db2.gz XLADPTLDEKDDFN-LJQANCHMSA-N 2 0 327.472 3.033 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000583071928 325492979 /nfs/dbraw/zinc/49/29/79/325492979.db2.gz FTLUCBNDDOIRKC-XUJVJEKNSA-N 2 0 343.393 3.140 20 0 EGADRP [NH3+]Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000237973027 455239671 /nfs/dbraw/zinc/23/96/71/455239671.db2.gz SGUPQMPXHRHKDC-UHFFFAOYSA-N 2 0 337.467 3.061 20 0 EGADRP COc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354065 458859387 /nfs/dbraw/zinc/85/93/87/458859387.db2.gz ZABRWUZJBBUAQQ-WFASDCNBSA-N 2 0 326.868 3.129 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000173384705 455276234 /nfs/dbraw/zinc/27/62/34/455276234.db2.gz JKJZIZRJCMFRLL-GJZGRUSLSA-N 2 0 343.437 3.240 20 0 EGADRP COc1cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1Cl ZINC000623471790 460567764 /nfs/dbraw/zinc/56/77/64/460567764.db2.gz SUFLSAVLVLEDAM-UHFFFAOYSA-N 2 0 346.862 3.108 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000183692007 455322425 /nfs/dbraw/zinc/32/24/25/455322425.db2.gz VJEMFSUQLQXNJK-INIZCTEOSA-N 2 0 332.488 3.492 20 0 EGADRP COc1cccc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000631826830 460574577 /nfs/dbraw/zinc/57/45/77/460574577.db2.gz XWEKDFTVEFAZIE-KRWDZBQOSA-N 2 0 341.455 3.172 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000245579106 455334236 /nfs/dbraw/zinc/33/42/36/455334236.db2.gz ARWUUMYRBTYUEO-RXVVDRJESA-N 2 0 338.499 3.111 20 0 EGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000605518218 460596554 /nfs/dbraw/zinc/59/65/54/460596554.db2.gz NDSSIDJJBOEKRR-HXUWFJFHSA-N 2 0 343.515 3.277 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000066960824 453890281 /nfs/dbraw/zinc/89/02/81/453890281.db2.gz JVMITMIKVZZZBJ-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1nn(C)cc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812127 455382402 /nfs/dbraw/zinc/38/24/02/455382402.db2.gz ZPGDTTCSVUFRKZ-JXFKEZNVSA-N 2 0 326.488 3.213 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000067421326 453930015 /nfs/dbraw/zinc/93/00/15/453930015.db2.gz DVEDEMQSZOUHIJ-KRWDZBQOSA-N 2 0 348.535 3.010 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028828 454264334 /nfs/dbraw/zinc/26/43/34/454264334.db2.gz TZPVURQLGWJOOC-FXAWDEMLSA-N 2 0 343.515 3.181 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOC2CCCCCC2)[C@H](C)C1 ZINC000131567862 454265073 /nfs/dbraw/zinc/26/50/73/454265073.db2.gz UKKYXDAFOQSMNV-UYAOXDASSA-N 2 0 340.552 3.452 20 0 EGADRP C1C[C@]2(CS1)C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000090542452 454318369 /nfs/dbraw/zinc/31/83/69/454318369.db2.gz KVEGZNCBSUKSCV-PKOBYXMFSA-N 2 0 338.561 3.428 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000120643779 454329556 /nfs/dbraw/zinc/32/95/56/454329556.db2.gz AMQIWXUSSYPHOP-BEFAXECRSA-N 2 0 339.439 3.286 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnccn3)CC2)cc1 ZINC000120675079 454333836 /nfs/dbraw/zinc/33/38/36/454333836.db2.gz YMEXKDNVQBSKRH-INIZCTEOSA-N 2 0 340.471 3.048 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000132409383 454334963 /nfs/dbraw/zinc/33/49/63/454334963.db2.gz QXNCQEAQBKSRIK-TYCQWZJGSA-N 2 0 347.522 3.311 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000120887184 454360891 /nfs/dbraw/zinc/36/08/91/454360891.db2.gz LUQSLCLPADRBSD-LSDHHAIUSA-N 2 0 339.524 3.082 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000121125168 454395497 /nfs/dbraw/zinc/39/54/97/454395497.db2.gz YDTOUNVVWJNJHT-ICSRJNTNSA-N 2 0 332.536 3.032 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000047978317 454427329 /nfs/dbraw/zinc/42/73/29/454427329.db2.gz JJAQHMZECZUABC-FQEVSTJZSA-N 2 0 348.531 3.097 20 0 EGADRP COCCCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133459588 454428100 /nfs/dbraw/zinc/42/81/00/454428100.db2.gz WGMIKRQUMXEHNS-UHFFFAOYSA-N 2 0 333.520 3.123 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121416184 454433703 /nfs/dbraw/zinc/43/37/03/454433703.db2.gz DNCOKJSXBHMPMG-IRXDYDNUSA-N 2 0 344.503 3.119 20 0 EGADRP CC[C@](C)(COc1ncccc1Cl)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000091686670 454458150 /nfs/dbraw/zinc/45/81/50/454458150.db2.gz PTHSUGJFUZRNPP-RHSMWYFYSA-N 2 0 325.884 3.356 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC000121729026 454469490 /nfs/dbraw/zinc/46/94/90/454469490.db2.gz XULSQVRWSYQGKV-FQEVSTJZSA-N 2 0 345.531 3.296 20 0 EGADRP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253890 454542350 /nfs/dbraw/zinc/54/23/50/454542350.db2.gz UPWVNMGZOXPNHE-QGZVFWFLSA-N 2 0 326.444 3.043 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccoc2C)CC1 ZINC000092438743 454566381 /nfs/dbraw/zinc/56/63/81/454566381.db2.gz GQQLCIRVWZFWDT-UHFFFAOYSA-N 2 0 327.472 3.362 20 0 EGADRP CC(=O)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134937149 454612222 /nfs/dbraw/zinc/61/22/22/454612222.db2.gz LJPLLMZCDFDARJ-XLIONFOSSA-N 2 0 328.456 3.061 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000080681534 454618496 /nfs/dbraw/zinc/61/84/96/454618496.db2.gz MDSAIJRJPCQWNC-MRXNPFEDSA-N 2 0 331.435 3.311 20 0 EGADRP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000634994370 460644569 /nfs/dbraw/zinc/64/45/69/460644569.db2.gz ALWFOEHZIBDWAH-ZWKOTPCHSA-N 2 0 336.483 3.152 20 0 EGADRP C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820908 454639918 /nfs/dbraw/zinc/63/99/18/454639918.db2.gz NDYQKNPNCRAIQA-INIZCTEOSA-N 2 0 347.503 3.350 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000123558477 454651101 /nfs/dbraw/zinc/65/11/01/454651101.db2.gz IZPUKSAPWLZHDB-UHFFFAOYSA-N 2 0 343.515 3.020 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000066139369 454659637 /nfs/dbraw/zinc/65/96/37/454659637.db2.gz ZRUKEWPSWNGEEO-QGZVFWFLSA-N 2 0 333.520 3.377 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C(C)C)C(C)C)CC1 ZINC000052208998 454661094 /nfs/dbraw/zinc/66/10/94/454661094.db2.gz UUDBZXGJIVDLMI-UHFFFAOYSA-N 2 0 325.541 3.076 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000075007546 454674096 /nfs/dbraw/zinc/67/40/96/454674096.db2.gz CRTGODKZWKXQKV-UHFFFAOYSA-N 2 0 334.504 3.326 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC(F)F ZINC000093088979 454679706 /nfs/dbraw/zinc/67/97/06/454679706.db2.gz ZKUHEGCANRQBDT-UHFFFAOYSA-N 2 0 328.403 3.070 20 0 EGADRP CCOc1c(C[N@H+](C)CC2CC[NH+](C)CC2)c(C)nn1CC(C)C ZINC000093088617 454680530 /nfs/dbraw/zinc/68/05/30/454680530.db2.gz ZFDFYSXIMUJPQX-UHFFFAOYSA-N 2 0 336.524 3.020 20 0 EGADRP C[N@H+](CCN1CC[NH+](C[C@@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000093104892 454682509 /nfs/dbraw/zinc/68/25/09/454682509.db2.gz LRKBAGYVLYQTKB-OAQYLSRUSA-N 2 0 327.516 3.092 20 0 EGADRP CC1CCC([NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000093104933 454682922 /nfs/dbraw/zinc/68/29/22/454682922.db2.gz SGEUGZWWRSEUFQ-UHFFFAOYSA-N 2 0 329.532 3.315 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000093133127 454686822 /nfs/dbraw/zinc/68/68/22/454686822.db2.gz TVILQCWXZZKPGL-INIZCTEOSA-N 2 0 335.561 3.257 20 0 EGADRP C[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123951299 454689758 /nfs/dbraw/zinc/68/97/58/454689758.db2.gz NRBYWZHQYWDCAY-GOSISDBHSA-N 2 0 333.520 3.154 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)CC2 ZINC000635004358 460648436 /nfs/dbraw/zinc/64/84/36/460648436.db2.gz DTUUMRVXHPQSAN-HKUYNNGSSA-N 2 0 340.467 3.241 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)c1ccccc1 ZINC000124327633 454718998 /nfs/dbraw/zinc/71/89/98/454718998.db2.gz ITNZTCMHOKCAFW-ICSRJNTNSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccn1 ZINC000124334844 454719730 /nfs/dbraw/zinc/71/97/30/454719730.db2.gz CSXKJCWXIKDPAE-FQEVSTJZSA-N 2 0 332.536 3.032 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000124371642 454725122 /nfs/dbraw/zinc/72/51/22/454725122.db2.gz VZLFPEJLLWFCTJ-GOSISDBHSA-N 2 0 333.545 3.087 20 0 EGADRP Cc1nccn1CCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000161904366 454735506 /nfs/dbraw/zinc/73/55/06/454735506.db2.gz VDWQTMQOTXUSKO-HXUWFJFHSA-N 2 0 332.536 3.416 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000138595356 454795171 /nfs/dbraw/zinc/79/51/71/454795171.db2.gz RCFHHHRQFNTBFO-KRWDZBQOSA-N 2 0 338.455 3.286 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635013589 460655575 /nfs/dbraw/zinc/65/55/75/460655575.db2.gz ZMNRCPIHEQKIGO-IHPCNDPISA-N 3 0 329.532 3.265 20 0 EGADRP C[C@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239480 454833265 /nfs/dbraw/zinc/83/32/65/454833265.db2.gz FAPXZPGYVLJTOU-DSVUQQCSSA-N 3 0 329.532 3.358 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000163869729 454866977 /nfs/dbraw/zinc/86/69/77/454866977.db2.gz KFOZWLFMEIVEHC-KRWDZBQOSA-N 2 0 345.531 3.170 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154363534 454888907 /nfs/dbraw/zinc/88/89/07/454888907.db2.gz SMVDJCXYNDVQJX-QGZVFWFLSA-N 2 0 329.488 3.419 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc2c(s1)CCCC2 ZINC000154374599 454890740 /nfs/dbraw/zinc/89/07/40/454890740.db2.gz AQGKUVKRZSVEHM-MRXNPFEDSA-N 2 0 335.561 3.305 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Cl)s1 ZINC000154429357 454895585 /nfs/dbraw/zinc/89/55/85/454895585.db2.gz KRCZGGPBBWNLNP-CQSZACIVSA-N 2 0 329.941 3.470 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000150818239 454897316 /nfs/dbraw/zinc/89/73/16/454897316.db2.gz DXPUMPCKWQSWMW-HNNXBMFYSA-N 2 0 335.879 3.086 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154456733 454898909 /nfs/dbraw/zinc/89/89/09/454898909.db2.gz NIWIRZWFTUENFH-QAPCUYQASA-N 2 0 326.488 3.121 20 0 EGADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165884565 454905361 /nfs/dbraw/zinc/90/53/61/454905361.db2.gz YRLORWGMBOFHCI-OXQOHEQNSA-N 2 0 345.531 3.441 20 0 EGADRP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000177825560 454910146 /nfs/dbraw/zinc/91/01/46/454910146.db2.gz QTSALSSTMSUUDO-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000166645564 454914748 /nfs/dbraw/zinc/91/47/48/454914748.db2.gz IPDOIRPJKMCILY-DYESRHJHSA-N 2 0 328.500 3.463 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1Cl ZINC000150962152 454918745 /nfs/dbraw/zinc/91/87/45/454918745.db2.gz DZMKCYQYRFNMHM-CYBMUJFWSA-N 2 0 327.875 3.156 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000178008947 454926612 /nfs/dbraw/zinc/92/66/12/454926612.db2.gz YSAXEVFKVQBRSQ-DGCLKSJQSA-N 2 0 329.257 3.203 20 0 EGADRP Cc1cc(NC(=O)C2([NH3+])CCCCC2)ccc1OCC[NH+]1CCCC1 ZINC000169093747 454929598 /nfs/dbraw/zinc/92/95/98/454929598.db2.gz IFVYOAWYDIWXCF-UHFFFAOYSA-N 2 0 345.487 3.070 20 0 EGADRP CN(c1ccccc1C[NH2+][C@H]1CCCSC1)C1CC[NH+](C)CC1 ZINC000151077428 454934025 /nfs/dbraw/zinc/93/40/25/454934025.db2.gz OHXHMVZQJHUGJN-KRWDZBQOSA-N 2 0 333.545 3.202 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000154988320 454951416 /nfs/dbraw/zinc/95/14/16/454951416.db2.gz XKNUFWKBFWNJHW-CZUORRHYSA-N 2 0 339.936 3.102 20 0 EGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000178411688 454953504 /nfs/dbraw/zinc/95/35/04/454953504.db2.gz GQYRJPLYEZAQJE-UHFFFAOYSA-N 2 0 349.906 3.020 20 0 EGADRP Fc1cc(C[NH2+]C2CCN(C3CC3)CC2)ccc1Br ZINC000127381906 454958534 /nfs/dbraw/zinc/95/85/34/454958534.db2.gz NRHKQFBKXJSHMI-UHFFFAOYSA-N 2 0 327.241 3.305 20 0 EGADRP COc1ccc2cc([C@@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)ccc2c1 ZINC000155118437 454965253 /nfs/dbraw/zinc/96/52/53/454965253.db2.gz XZWLNXJDURFZEO-IAGOWNOFSA-N 2 0 341.499 3.135 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000178634828 454965540 /nfs/dbraw/zinc/96/55/40/454965540.db2.gz BZMPQWCSKQSLQV-WIYYLYMNSA-N 3 0 329.532 3.219 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000178797490 454978398 /nfs/dbraw/zinc/97/83/98/454978398.db2.gz XCIZONKCELMMKE-SFHVURJKSA-N 2 0 346.519 3.238 20 0 EGADRP C[C@H]1CCN(C(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000178840797 454983432 /nfs/dbraw/zinc/98/34/32/454983432.db2.gz VVIWRNLJLQBMKW-SFHVURJKSA-N 2 0 331.504 3.019 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128280589 455041882 /nfs/dbraw/zinc/04/18/82/455041882.db2.gz XQSBLNVWQREZIS-HNNXBMFYSA-N 2 0 338.565 3.253 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000179510278 455054526 /nfs/dbraw/zinc/05/45/26/455054526.db2.gz UMKSJYYYYNZVAU-HXUWFJFHSA-N 2 0 339.483 3.498 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000179678396 455066219 /nfs/dbraw/zinc/06/62/19/455066219.db2.gz ICJDYFUMRHUUHZ-UHFFFAOYSA-N 2 0 339.911 3.305 20 0 EGADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000129062672 455096954 /nfs/dbraw/zinc/09/69/54/455096954.db2.gz VJZUPKAGDKLCCL-WDEREUQCSA-N 2 0 330.259 3.134 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129280593 455104894 /nfs/dbraw/zinc/10/48/94/455104894.db2.gz NESNMIKPUJGJIH-CVEARBPZSA-N 2 0 335.458 3.115 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnn1C ZINC000180158207 455141660 /nfs/dbraw/zinc/14/16/60/455141660.db2.gz VBLQCBHXVSXCTI-CEDBRAGKSA-N 2 0 338.499 3.290 20 0 EGADRP CC(C)CC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156934060 455157789 /nfs/dbraw/zinc/15/77/89/455157789.db2.gz JSLXWKGUQYZPAX-PXNSSMCTSA-N 2 0 345.531 3.298 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182824376 455172251 /nfs/dbraw/zinc/17/22/51/455172251.db2.gz JHIPWMIDWXGBIA-OXJNMPFZSA-N 2 0 333.495 3.066 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000180458792 455173186 /nfs/dbraw/zinc/17/31/86/455173186.db2.gz KCMXAJPAQUCPIT-UHFFFAOYSA-N 2 0 348.878 3.395 20 0 EGADRP CSCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000237331974 455174739 /nfs/dbraw/zinc/17/47/39/455174739.db2.gz MVENRRFLNLEQHO-PBHICJAKSA-N 2 0 335.517 3.080 20 0 EGADRP Cc1ccc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)ccc2n1 ZINC000189349435 455182099 /nfs/dbraw/zinc/18/20/99/455182099.db2.gz TYNFANUOBLAEDW-SFHVURJKSA-N 2 0 339.483 3.134 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237582264 455196700 /nfs/dbraw/zinc/19/67/00/455196700.db2.gz CQNCMPKISDUHSZ-KXBFYZLASA-N 2 0 325.456 3.331 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000157600427 455212093 /nfs/dbraw/zinc/21/20/93/455212093.db2.gz ABFRLDXVFIOYOZ-IEBWSBKVSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000183031629 455213885 /nfs/dbraw/zinc/21/38/85/455213885.db2.gz UBZFOHHLMITNOM-SFHVURJKSA-N 2 0 326.431 3.364 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1F ZINC000181034869 455279617 /nfs/dbraw/zinc/27/96/17/455279617.db2.gz MXKJOHPJEXJAIS-GOSISDBHSA-N 2 0 331.435 3.402 20 0 EGADRP C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245431909 455296509 /nfs/dbraw/zinc/29/65/09/455296509.db2.gz AZUPXUYNUSYJOA-VXKWHMMOSA-N 2 0 338.495 3.044 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245580240 455335223 /nfs/dbraw/zinc/33/52/23/455335223.db2.gz GVEHFAAUQMMCPF-RYRKJORJSA-N 2 0 334.504 3.202 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000245582391 455335280 /nfs/dbraw/zinc/33/52/80/455335280.db2.gz HXTNYHYQTLHDPK-WBTNSWJXSA-N 2 0 328.460 3.158 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC[N@@H+]1C ZINC000181596095 455359828 /nfs/dbraw/zinc/35/98/28/455359828.db2.gz NEVVVPLGVOHRKL-CJNGLKHVSA-N 2 0 330.394 3.338 20 0 EGADRP CCCCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1(C)C ZINC000181661058 455370118 /nfs/dbraw/zinc/37/01/18/455370118.db2.gz FHINGTQMTXKMEW-MSOLQXFVSA-N 2 0 326.525 3.061 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)CC1 ZINC000174254310 455373939 /nfs/dbraw/zinc/37/39/39/455373939.db2.gz IIAANGWXDDQSES-UHFFFAOYSA-N 2 0 328.456 3.294 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000181753954 455379548 /nfs/dbraw/zinc/37/95/48/455379548.db2.gz GMDHLTWSISGELT-HAGHYFMRSA-N 2 0 328.500 3.444 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1csc(Cl)c1)N1CC[NH+](C)CC1 ZINC000191158105 455454474 /nfs/dbraw/zinc/45/44/74/455454474.db2.gz LOTUWGDNIIZUGC-HIFRSBDPSA-N 2 0 329.941 3.324 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000247037101 455548600 /nfs/dbraw/zinc/54/86/00/455548600.db2.gz LNKPSNUFJLEIOI-KBAYOESNSA-N 2 0 347.503 3.325 20 0 EGADRP c1c[nH]c([C@H]2CCC[N@H+]2CCOCC[NH+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000267476374 455552079 /nfs/dbraw/zinc/55/20/79/455552079.db2.gz ZHAWNQKVWPWZJK-BGYRXZFFSA-N 2 0 342.487 3.333 20 0 EGADRP CCSc1cccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000185462090 455560612 /nfs/dbraw/zinc/56/06/12/455560612.db2.gz PNDGRCFCXLDWFP-IBGZPJMESA-N 2 0 335.561 3.160 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000247301642 455585363 /nfs/dbraw/zinc/58/53/63/455585363.db2.gz FKXLUVMPFKAILF-ZIFCJYIRSA-N 2 0 340.471 3.410 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185687977 455596839 /nfs/dbraw/zinc/59/68/39/455596839.db2.gz UYQSOCBRYBRFAF-FBBABVLZSA-N 2 0 330.516 3.223 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000271425900 455631796 /nfs/dbraw/zinc/63/17/96/455631796.db2.gz ABHXMLXJIQTUQW-ZCNNSNEGSA-N 2 0 328.500 3.376 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271432568 455634531 /nfs/dbraw/zinc/63/45/31/455634531.db2.gz BEAJQFNZAURFMO-XTCWOQMQSA-N 2 0 346.515 3.155 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(Br)c2)CCCO1 ZINC000277735664 455649957 /nfs/dbraw/zinc/64/99/57/455649957.db2.gz JWHRQUMMCHODCV-AWEZNQCLSA-N 2 0 341.293 3.040 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192658716 455663309 /nfs/dbraw/zinc/66/33/09/455663309.db2.gz PNTYTADILDPETD-ZBFHGGJFSA-N 2 0 346.471 3.216 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000271520766 455670463 /nfs/dbraw/zinc/67/04/63/455670463.db2.gz PLWSBZUZPIQVTL-ZOCIIQOWSA-N 2 0 334.529 3.437 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000271523718 455671508 /nfs/dbraw/zinc/67/15/08/455671508.db2.gz VJBVBINQAWACET-GHTZIAJQSA-N 2 0 348.531 3.354 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccccc2OC)[C@H](C)C1 ZINC000248025871 455672143 /nfs/dbraw/zinc/67/21/43/455672143.db2.gz PANYCWBUDIPUEX-LMMKCTJWSA-N 2 0 334.504 3.483 20 0 EGADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000284410995 455681537 /nfs/dbraw/zinc/68/15/37/455681537.db2.gz QFKHFPJGDPKKCM-QZTJIDSGSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000268449467 455685906 /nfs/dbraw/zinc/68/59/06/455685906.db2.gz VKIOFXZRGOHWET-UHFFFAOYSA-N 2 0 328.456 3.272 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000271575295 455689060 /nfs/dbraw/zinc/68/90/60/455689060.db2.gz ZGCCKNYNDIUBTN-HKBOAZHASA-N 2 0 344.499 3.040 20 0 EGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635137855 460686632 /nfs/dbraw/zinc/68/66/32/460686632.db2.gz DDOOHXCEHVWUTI-SJORKVTESA-N 2 0 347.528 3.018 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(SCC(F)F)cc1 ZINC000268946505 455740557 /nfs/dbraw/zinc/74/05/57/455740557.db2.gz BMVJVOKTZXQQND-CYBMUJFWSA-N 2 0 344.471 3.151 20 0 EGADRP C[C@H](CCC1CC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000186329678 455745071 /nfs/dbraw/zinc/74/50/71/455745071.db2.gz GZEMLRNYGKSKOE-UZLBHIALSA-N 2 0 343.515 3.052 20 0 EGADRP CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269010582 455761848 /nfs/dbraw/zinc/76/18/48/455761848.db2.gz XHSQKWLXYHWWEG-QGZVFWFLSA-N 2 0 336.520 3.466 20 0 EGADRP C[C@@H](CC[S@@](C)=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285007277 455776628 /nfs/dbraw/zinc/77/66/28/455776628.db2.gz GZSHFYCKDLGRDV-IGOTWKNGSA-N 2 0 336.545 3.176 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000269216824 455814221 /nfs/dbraw/zinc/81/42/21/455814221.db2.gz PVKLEJISAGBBJV-HXUWFJFHSA-N 2 0 337.467 3.354 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000285403011 455836812 /nfs/dbraw/zinc/83/68/12/455836812.db2.gz VVTQIBADNWVBRQ-VQIMIIECSA-N 2 0 348.450 3.117 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C2CCC2)cc1 ZINC000186985872 455860287 /nfs/dbraw/zinc/86/02/87/455860287.db2.gz LYGFLQBOIIWZGU-NRFANRHFSA-N 2 0 329.532 3.452 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)CCS2 ZINC000187175227 455876602 /nfs/dbraw/zinc/87/66/02/455876602.db2.gz JYQTZXKHOVKMDV-GOSISDBHSA-N 2 0 334.529 3.134 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)n2ccnc21)Cc1ccccc1 ZINC000296192760 455876851 /nfs/dbraw/zinc/87/68/51/455876851.db2.gz YOVVPSRLXGBKDM-YTQUADARSA-N 2 0 326.488 3.432 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000285602405 455879811 /nfs/dbraw/zinc/87/98/11/455879811.db2.gz YIEOLMGBEKVDML-IAGOWNOFSA-N 2 0 340.515 3.496 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000285602403 455879882 /nfs/dbraw/zinc/87/98/82/455879882.db2.gz YIEOLMGBEKVDML-CALCHBBNSA-N 2 0 340.515 3.496 20 0 EGADRP CCC[NH+]1CCC(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272271693 455898517 /nfs/dbraw/zinc/89/85/17/455898517.db2.gz BOGPRVJTUZIYGO-QUCCMNQESA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000259124586 455899644 /nfs/dbraw/zinc/89/96/44/455899644.db2.gz WCHVKCTYNAPZJR-UHFFFAOYSA-N 2 0 335.245 3.206 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285749049 455909324 /nfs/dbraw/zinc/90/93/24/455909324.db2.gz YQCFTFMWJVRLGG-JOCHJYFZSA-N 2 0 336.479 3.277 20 0 EGADRP [NH3+]C[C@@H]1CN(Cc2ccc(Br)cn2)C[C@H]1c1ccccc1 ZINC000261602955 455911168 /nfs/dbraw/zinc/91/11/68/455911168.db2.gz ASCAPMMRLDPJBU-PBHICJAKSA-N 2 0 346.272 3.018 20 0 EGADRP O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000261896246 455966822 /nfs/dbraw/zinc/96/68/22/455966822.db2.gz UNMRKRBHUGPKLS-GOSISDBHSA-N 2 0 343.515 3.069 20 0 EGADRP Cc1ncsc1CN(Cc1scnc1C1CC1)C[C@@H]1CC[NH2+]C1 ZINC000261963928 455979051 /nfs/dbraw/zinc/97/90/51/455979051.db2.gz PPOLMDRHDYRKBW-CYBMUJFWSA-N 2 0 348.541 3.397 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188006963 455979247 /nfs/dbraw/zinc/97/92/47/455979247.db2.gz AKNHZPRLQLIPEZ-ZRGWGRIASA-N 2 0 335.923 3.016 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000261998821 455983591 /nfs/dbraw/zinc/98/35/91/455983591.db2.gz OWCDCVIMHBJYMA-AWEZNQCLSA-N 2 0 335.517 3.057 20 0 EGADRP C[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555418 455993138 /nfs/dbraw/zinc/99/31/38/455993138.db2.gz FXRMBFOWRJCLSP-DYXWJJEUSA-N 2 0 329.532 3.219 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000262092365 455996094 /nfs/dbraw/zinc/99/60/94/455996094.db2.gz HGYPLMCTBJUOQF-IBGZPJMESA-N 2 0 346.515 3.314 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC(C)(F)F)CC1 ZINC000296645125 455999726 /nfs/dbraw/zinc/99/97/26/455999726.db2.gz IPQGCKBIFOGIQN-UHFFFAOYSA-N 2 0 331.838 3.227 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272596583 456007579 /nfs/dbraw/zinc/00/75/79/456007579.db2.gz XGYMQZZPDMFSRI-FQEVSTJZSA-N 2 0 345.506 3.377 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262179752 456008489 /nfs/dbraw/zinc/00/84/89/456008489.db2.gz WLOMAUGRQUMSEO-NEPJUHHUSA-N 2 0 345.256 3.026 20 0 EGADRP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000272608840 456013105 /nfs/dbraw/zinc/01/31/05/456013105.db2.gz VSVRRUZENPWLBV-PCCBWWKXSA-N 2 0 342.527 3.429 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)cc1)C(C)C ZINC000272640821 456023371 /nfs/dbraw/zinc/02/33/71/456023371.db2.gz OHKWAARXWDTGMA-UYAOXDASSA-N 2 0 343.515 3.083 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000262374950 456029285 /nfs/dbraw/zinc/02/92/85/456029285.db2.gz KORIAUQAQHDMIU-BQFCYCMXSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000262662213 456051187 /nfs/dbraw/zinc/05/11/87/456051187.db2.gz YVUPRNGITKKRTM-IKGGRYGDSA-N 2 0 349.544 3.027 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000270898995 456062497 /nfs/dbraw/zinc/06/24/97/456062497.db2.gz MFJJSRUWVSMPMZ-NRFANRHFSA-N 2 0 345.506 3.303 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000262987459 456074607 /nfs/dbraw/zinc/07/46/07/456074607.db2.gz NIFMPGSMZSGCDZ-ICSRJNTNSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263219957 456111232 /nfs/dbraw/zinc/11/12/32/456111232.db2.gz LSGJIHYSBLLATI-QFUCXCTJSA-N 2 0 343.515 3.017 20 0 EGADRP Cc1cc(NC2CC[NH+](C)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000188699007 456116391 /nfs/dbraw/zinc/11/63/91/456116391.db2.gz QFTJVKNQPFQFEB-UHFFFAOYSA-N 2 0 330.520 3.032 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000271159219 456148500 /nfs/dbraw/zinc/14/85/00/456148500.db2.gz RRWLQBWNZKJXIF-KRWDZBQOSA-N 2 0 344.528 3.002 20 0 EGADRP CC1(C)Cc2occc2[C@@H](Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000333232587 456182814 /nfs/dbraw/zinc/18/28/14/456182814.db2.gz CIOULWIRCYWHIR-INIZCTEOSA-N 2 0 326.444 3.210 20 0 EGADRP C[C@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000236788183 456184475 /nfs/dbraw/zinc/18/44/75/456184475.db2.gz MXUSKYRMYVGWSY-RZMNMVRNSA-N 2 0 343.515 3.045 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000273187560 456206394 /nfs/dbraw/zinc/20/63/94/456206394.db2.gz GBBIRZBAJGVNJX-FGTMMUONSA-N 2 0 334.504 3.483 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189149017 456240599 /nfs/dbraw/zinc/24/05/99/456240599.db2.gz ZNIPHEZWIWOFAS-VXKWHMMOSA-N 2 0 343.559 3.261 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000237191032 456244286 /nfs/dbraw/zinc/24/42/86/456244286.db2.gz JRVYWQLJZKJMKD-RBUKOAKNSA-N 2 0 343.446 3.025 20 0 EGADRP CNC(=O)c1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000237188187 456245148 /nfs/dbraw/zinc/24/51/48/456245148.db2.gz TZQVPBOEKVRRSM-UHFFFAOYSA-N 2 0 339.483 3.176 20 0 EGADRP c1[nH+]cn2cc(C[NH2+][C@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc12 ZINC000297597030 456259695 /nfs/dbraw/zinc/25/96/95/456259695.db2.gz UABWNZJEEBKJGP-NNWRFLSQSA-N 3 0 346.478 3.335 20 0 EGADRP [NH3+]C1(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)C2CC3CC(C2)CC1C3 ZINC000333772845 456261265 /nfs/dbraw/zinc/26/12/65/456261265.db2.gz CHTXYMWUHFJTGU-PEAZAFBESA-N 2 0 339.483 3.203 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000302057786 456276914 /nfs/dbraw/zinc/27/69/14/456276914.db2.gz AJINYZJVBPQLHD-WBVHZDCISA-N 2 0 339.524 3.237 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)s2)cn1 ZINC000290321914 456290205 /nfs/dbraw/zinc/29/02/05/456290205.db2.gz CZVIINAAGIENTC-MRXNPFEDSA-N 2 0 344.528 3.312 20 0 EGADRP C[C@@H]([NH3+])CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000340185908 456299207 /nfs/dbraw/zinc/29/92/07/456299207.db2.gz YFDYVGXTAPMFKI-GFCCVEGCSA-N 2 0 346.302 3.011 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000340199708 456309085 /nfs/dbraw/zinc/30/90/85/456309085.db2.gz RMDYIMZMKUXTLS-IBGZPJMESA-N 2 0 342.531 3.426 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC(F)F ZINC000290380021 456310085 /nfs/dbraw/zinc/31/00/85/456310085.db2.gz IBIGEALFMVSOPX-HUUCEWRRSA-N 2 0 340.414 3.213 20 0 EGADRP CN1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@@H]1c1ccccc1 ZINC000340205306 456314936 /nfs/dbraw/zinc/31/49/36/456314936.db2.gz PGDWWFUISRQKMB-AZUAARDMSA-N 2 0 328.431 3.243 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340233659 456328871 /nfs/dbraw/zinc/32/88/71/456328871.db2.gz ZRNINFLQIYDMMG-ROUUACIJSA-N 2 0 329.532 3.488 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000275879842 456339682 /nfs/dbraw/zinc/33/96/82/456339682.db2.gz PFHFIKYQKYZLBC-UYAOXDASSA-N 2 0 341.503 3.039 20 0 EGADRP c1ccc2sc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000298023530 456345289 /nfs/dbraw/zinc/34/52/89/456345289.db2.gz DYIFJGRFHUFWPE-UHFFFAOYSA-N 2 0 338.480 3.492 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1cscc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000352843187 456357632 /nfs/dbraw/zinc/35/76/32/456357632.db2.gz YGCRVXFQZZUONP-OAHLLOKOSA-N 2 0 349.466 3.129 20 0 EGADRP CC[N@@H+](Cc1c[nH]c2nccnc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290569389 456368013 /nfs/dbraw/zinc/36/80/13/456368013.db2.gz YJIBBMQITUPESP-SFHVURJKSA-N 2 0 349.482 3.302 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000276174956 456405275 /nfs/dbraw/zinc/40/52/75/456405275.db2.gz WEVWMZJCYBQGPY-UHFFFAOYSA-N 2 0 348.535 3.012 20 0 EGADRP COCCCOc1ccc(C[NH2+]Cc2cnc3c(C)cccn23)cc1 ZINC000352922338 456414838 /nfs/dbraw/zinc/41/48/38/456414838.db2.gz QEHGMAMFMXIICS-UHFFFAOYSA-N 2 0 339.439 3.348 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1OCc1ccncc1)Cn1ccnc1 ZINC000340437087 456461004 /nfs/dbraw/zinc/46/10/04/456461004.db2.gz SYPIYIZZIOXABR-QGZVFWFLSA-N 2 0 336.439 3.283 20 0 EGADRP C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000340446461 456468272 /nfs/dbraw/zinc/46/82/72/456468272.db2.gz MFGQEFHWHHHWSS-HUUCEWRRSA-N 2 0 329.444 3.139 20 0 EGADRP C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474005 456481494 /nfs/dbraw/zinc/48/14/94/456481494.db2.gz GBKNXHPAHUONBL-AEFFLSMTSA-N 2 0 327.447 3.436 20 0 EGADRP Cc1cccc(OC[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298556584 456489145 /nfs/dbraw/zinc/48/91/45/456489145.db2.gz VLWYNZSLKDIOFA-QGZVFWFLSA-N 2 0 325.456 3.416 20 0 EGADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)CC1(COC)CCC1 ZINC000291057043 456511971 /nfs/dbraw/zinc/51/19/71/456511971.db2.gz COXOSGKBLBJZSQ-UHFFFAOYSA-N 2 0 331.504 3.437 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@]1(C)CCCO1 ZINC000340539250 456520180 /nfs/dbraw/zinc/52/01/80/456520180.db2.gz RXDVEXBOMIYLHZ-OXJNMPFZSA-N 2 0 332.488 3.207 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305186678 456535644 /nfs/dbraw/zinc/53/56/44/456535644.db2.gz XIWCSUGILAIHSB-CWGXQPNUSA-N 2 0 328.500 3.447 20 0 EGADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000353191906 456549050 /nfs/dbraw/zinc/54/90/50/456549050.db2.gz LAGNNVQDKFCIDC-UHFFFAOYSA-N 2 0 328.909 3.266 20 0 EGADRP COC[C@@H](CC(C)(C)C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000651741741 462320906 /nfs/dbraw/zinc/32/09/06/462320906.db2.gz UTTYLQOKSRNGOX-NVXWUHKLSA-N 2 0 334.508 3.085 20 0 EGADRP CSC1(C[NH2+]Cc2sccc2Br)CC[NH+](C)CC1 ZINC000353222913 456570483 /nfs/dbraw/zinc/57/04/83/456570483.db2.gz ROCLTZXJKKQKSF-UHFFFAOYSA-N 2 0 349.363 3.428 20 0 EGADRP CC(C)(C)OC(=O)CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310978905 456586322 /nfs/dbraw/zinc/58/63/22/456586322.db2.gz DQIRBTAIBUCJRL-RTBURBONSA-N 2 0 344.499 3.172 20 0 EGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276901211 456615275 /nfs/dbraw/zinc/61/52/75/456615275.db2.gz NIDLPNDFMDDNBL-MRXNPFEDSA-N 2 0 347.503 3.124 20 0 EGADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000340690928 456628923 /nfs/dbraw/zinc/62/89/23/456628923.db2.gz KTXYPZRXVWADIE-NJDAHSKKSA-N 2 0 328.500 3.278 20 0 EGADRP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000320718980 456631486 /nfs/dbraw/zinc/63/14/86/456631486.db2.gz VKXYKYLBBFPSDH-LMMKCTJWSA-N 2 0 346.515 3.464 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000338187550 456693149 /nfs/dbraw/zinc/69/31/49/456693149.db2.gz MJTLHWKNHLVXMC-PXNSSMCTSA-N 2 0 345.531 3.473 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338209080 456707433 /nfs/dbraw/zinc/70/74/33/456707433.db2.gz VELIGNAHGVXWJC-OAQYLSRUSA-N 2 0 338.499 3.472 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000343563979 456708714 /nfs/dbraw/zinc/70/87/14/456708714.db2.gz NGQDDASLGISRDA-QZTJIDSGSA-N 2 0 345.531 3.121 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000343579644 456719930 /nfs/dbraw/zinc/71/99/30/456719930.db2.gz MDLQLKXZURGZKE-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000353513036 456726719 /nfs/dbraw/zinc/72/67/19/456726719.db2.gz DTHYOHKGAPILSE-QAPCUYQASA-N 2 0 329.492 3.284 20 0 EGADRP Cc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)ccc(O)c2n1 ZINC000338276218 456744114 /nfs/dbraw/zinc/74/41/14/456744114.db2.gz CJPUOLMFVKPUCA-AEFFLSMTSA-N 2 0 325.456 3.165 20 0 EGADRP C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CCN1C1CC[NH+](C)CC1 ZINC000343714058 456767046 /nfs/dbraw/zinc/76/70/46/456767046.db2.gz POOQDTDJVMZCNM-FOIQADDNSA-N 2 0 347.934 3.428 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000283392586 456771664 /nfs/dbraw/zinc/77/16/64/456771664.db2.gz ATPZGSSRFXSMMQ-LJQANCHMSA-N 2 0 331.504 3.131 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329128 456779699 /nfs/dbraw/zinc/77/96/99/456779699.db2.gz VLSDUUODHUVGDU-HOJAQTOUSA-N 2 0 345.531 3.449 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)CC[NH+](C)CC1 ZINC000353608184 456798553 /nfs/dbraw/zinc/79/85/53/456798553.db2.gz HRQWVXZGJGTYMI-CYBMUJFWSA-N 2 0 339.574 3.500 20 0 EGADRP Cc1cnc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000341258533 456827311 /nfs/dbraw/zinc/82/73/11/456827311.db2.gz LQHHFPJKBCYBNC-APWZRJJASA-N 2 0 326.488 3.119 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292024773 456834325 /nfs/dbraw/zinc/83/43/25/456834325.db2.gz YNHQGUVOPAWHFP-NHCUHLMSSA-N 2 0 330.516 3.178 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1C ZINC000353658484 456837998 /nfs/dbraw/zinc/83/79/98/456837998.db2.gz JMCUDWQFUPANQK-PBHICJAKSA-N 2 0 347.894 3.225 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H](C)C1 ZINC000353988400 456991925 /nfs/dbraw/zinc/99/19/25/456991925.db2.gz VJSDZCTWPWXPHK-RTBURBONSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359118297 457058339 /nfs/dbraw/zinc/05/83/39/457058339.db2.gz VFPRHYUBDKLTIS-DMUMMCEESA-N 2 0 343.515 3.029 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000354098328 457060334 /nfs/dbraw/zinc/06/03/34/457060334.db2.gz WEXJMUVOCKEMAI-QGZVFWFLSA-N 2 0 342.430 3.221 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000339362466 457068317 /nfs/dbraw/zinc/06/83/17/457068317.db2.gz LYEGTBMZQWQJRL-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@H]21 ZINC000342076563 457094608 /nfs/dbraw/zinc/09/46/08/457094608.db2.gz AIZTZAJBBLVHOH-FVQBIDKESA-N 2 0 328.378 3.187 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426532 457109986 /nfs/dbraw/zinc/10/99/86/457109986.db2.gz NULZWIKZCBYUQS-FCHUYYIVSA-N 2 0 338.495 3.161 20 0 EGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000346692640 457114417 /nfs/dbraw/zinc/11/44/17/457114417.db2.gz HZZYIFFUKIPVSB-HXUWFJFHSA-N 2 0 327.472 3.466 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3sccc3C2)CC1 ZINC000349944764 457116585 /nfs/dbraw/zinc/11/65/85/457116585.db2.gz MGZDNMOPFUYZOL-UHFFFAOYSA-N 2 0 341.524 3.448 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]21 ZINC000342143769 457133524 /nfs/dbraw/zinc/13/35/24/457133524.db2.gz QSBKRUAXLCKDAK-VNHYZAJKSA-N 2 0 328.378 3.143 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)c1 ZINC000362931099 457162097 /nfs/dbraw/zinc/16/20/97/457162097.db2.gz PJZMJTGXRIBOGO-FXAWDEMLSA-N 2 0 345.531 3.123 20 0 EGADRP CC1CCC([NH+]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)CC1 ZINC000359991273 457189504 /nfs/dbraw/zinc/18/95/04/457189504.db2.gz HIXNKYIBFZCPKM-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354405826 457202668 /nfs/dbraw/zinc/20/26/68/457202668.db2.gz KKGQPUXOLBCDPW-UHFFFAOYSA-N 2 0 344.455 3.383 20 0 EGADRP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000357021734 457283137 /nfs/dbraw/zinc/28/31/37/457283137.db2.gz ZGIPXDPZQPNBOH-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000360182101 457289469 /nfs/dbraw/zinc/28/94/69/457289469.db2.gz GGYDVBOLNADLPD-KRWDZBQOSA-N 2 0 349.544 3.122 20 0 EGADRP CCCOc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000357043463 457294109 /nfs/dbraw/zinc/29/41/09/457294109.db2.gz GGAHDSDGBFVKKV-GOSISDBHSA-N 2 0 332.488 3.306 20 0 EGADRP C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357048201 457296640 /nfs/dbraw/zinc/29/66/40/457296640.db2.gz MPOLDEHHJLPWIP-DMUMMCEESA-N 2 0 343.515 3.201 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1)CC1CC1 ZINC000357074170 457308544 /nfs/dbraw/zinc/30/85/44/457308544.db2.gz GFVOQQIKPAJTCF-QGZVFWFLSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]1CN(Cc2cccc(CNc3cc[nH+]c4ccccc34)c2)CCO1 ZINC000357183116 457362829 /nfs/dbraw/zinc/36/28/29/457362829.db2.gz CULLLEXULBSZIW-KRWDZBQOSA-N 2 0 347.462 3.490 20 0 EGADRP COCCSCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352440516 457369085 /nfs/dbraw/zinc/36/90/85/457369085.db2.gz OVHCIBFZRXGBEW-WOJBJXKFSA-N 2 0 348.556 3.210 20 0 EGADRP CCc1nnc([C@H](C)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447851 457373277 /nfs/dbraw/zinc/37/32/77/457373277.db2.gz OVGBAZQYBMXDFV-JQHSSLGASA-N 2 0 340.471 3.147 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000342586642 457381402 /nfs/dbraw/zinc/38/14/02/457381402.db2.gz MZBGVDWCDNRBSF-VAMGGRTRSA-N 2 0 343.515 3.030 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000363687604 457417269 /nfs/dbraw/zinc/41/72/69/457417269.db2.gz BBHXEBFFBLZOHZ-HXUWFJFHSA-N 2 0 343.515 3.227 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000342658624 457434222 /nfs/dbraw/zinc/43/42/22/457434222.db2.gz KUMYHFMMFYBOPS-UHFFFAOYSA-N 2 0 334.504 3.061 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000397568031 457488400 /nfs/dbraw/zinc/48/84/00/457488400.db2.gz WWQMNGRSOVGDBN-BHDDXSALSA-N 3 0 341.543 3.409 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400324874 457512080 /nfs/dbraw/zinc/51/20/80/457512080.db2.gz BDBCJCOGTHPLSV-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347568629 457514062 /nfs/dbraw/zinc/51/40/62/457514062.db2.gz OOTYUJZSQQWOGS-UHFFFAOYSA-N 2 0 339.568 3.181 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400466362 457516323 /nfs/dbraw/zinc/51/63/23/457516323.db2.gz WCQARKDLXCOPHN-RDJZCZTQSA-N 2 0 339.524 3.238 20 0 EGADRP Brc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400996454 457522538 /nfs/dbraw/zinc/52/25/38/457522538.db2.gz JAJQVBSGOFRDOY-GRYCIOLGSA-N 2 0 329.307 3.031 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000356200047 457527190 /nfs/dbraw/zinc/52/71/90/457527190.db2.gz GDILZIJELRNWLA-QGZVFWFLSA-N 2 0 345.531 3.276 20 0 EGADRP Cc1cnc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000342789808 457530850 /nfs/dbraw/zinc/53/08/50/457530850.db2.gz YCXUMGHGHZRVDD-WOJBJXKFSA-N 2 0 338.499 3.215 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1OC(F)F ZINC000404444553 457544078 /nfs/dbraw/zinc/54/40/78/457544078.db2.gz WUPXXUTVHYMPIY-JSGCOSHPSA-N 2 0 328.403 3.246 20 0 EGADRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCOc2ccccc21 ZINC000370167597 457572251 /nfs/dbraw/zinc/57/22/51/457572251.db2.gz ROKBGAFHUQLBNU-SFHVURJKSA-N 2 0 344.503 3.280 20 0 EGADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357532747 457583792 /nfs/dbraw/zinc/58/37/92/457583792.db2.gz VKOKEVPTFCWQSC-FXAWDEMLSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)Sc2sccc21)CN1CC[NH+](C)CC1 ZINC000361107895 457586058 /nfs/dbraw/zinc/58/60/58/457586058.db2.gz IXNHEZAIJRMHJO-IIAWOOMASA-N 2 0 339.574 3.147 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cncc(F)c1 ZINC000361175550 457630269 /nfs/dbraw/zinc/63/02/69/457630269.db2.gz PDWAGNHMEJNEBF-OAHLLOKOSA-N 2 0 331.435 3.054 20 0 EGADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)c(C)c2c1 ZINC000361182546 457634601 /nfs/dbraw/zinc/63/46/01/457634601.db2.gz CTAYHWXWNUKHGA-GDBMZVCRSA-N 2 0 345.487 3.036 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000357640682 457635987 /nfs/dbraw/zinc/63/59/87/457635987.db2.gz GBJJJMXLFYBYEU-WWDZGPRUSA-N 2 0 337.552 3.312 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)C2)CC1 ZINC000364661456 457668632 /nfs/dbraw/zinc/66/86/32/457668632.db2.gz POSPVEUBQJPGEY-NJYVYQBISA-N 2 0 341.543 3.156 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1)C(C)C ZINC000374622467 457674376 /nfs/dbraw/zinc/67/43/76/457674376.db2.gz LHIWWUSILHAWEK-SLFFLAALSA-N 2 0 343.515 3.116 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000358005455 457737914 /nfs/dbraw/zinc/73/79/14/457737914.db2.gz NASJRHDBYKFBLH-CRAIPNDOSA-N 2 0 332.488 3.446 20 0 EGADRP CCn1cccc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1=O ZINC000433088740 457755049 /nfs/dbraw/zinc/75/50/49/457755049.db2.gz MRXCDBNUXSMQOP-VQIMIIECSA-N 2 0 331.504 3.001 20 0 EGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433134208 457762911 /nfs/dbraw/zinc/76/29/11/457762911.db2.gz KIVDRJSCXCBNJW-HNNXBMFYSA-N 2 0 343.471 3.156 20 0 EGADRP CCCCN(Cc1ccccc1F)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140450 457764615 /nfs/dbraw/zinc/76/46/15/457764615.db2.gz HJQONMCATIPCHG-UHFFFAOYSA-N 2 0 349.494 3.158 20 0 EGADRP CC(C)(C)Oc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433151759 457766043 /nfs/dbraw/zinc/76/60/43/457766043.db2.gz JHKIVXPXKJMKIX-UHFFFAOYSA-N 2 0 333.476 3.006 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000361523985 457770244 /nfs/dbraw/zinc/77/02/44/457770244.db2.gz IBIZMOTXKRAFAJ-ICSRJNTNSA-N 2 0 347.547 3.118 20 0 EGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NCC1CCCCC1 ZINC000443606288 457785029 /nfs/dbraw/zinc/78/50/29/457785029.db2.gz OXSZGZACVBUCNE-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)CN(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000443609934 457787242 /nfs/dbraw/zinc/78/72/42/457787242.db2.gz WUHDGFPCHRDYDV-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358152713 457818377 /nfs/dbraw/zinc/81/83/77/457818377.db2.gz HRFIAMGGJKOLHQ-MGPUTAFESA-N 2 0 346.446 3.150 20 0 EGADRP CC(C)OC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361676812 457819317 /nfs/dbraw/zinc/81/93/17/457819317.db2.gz AUJNJNBZTSZUOP-VQTJNVASSA-N 2 0 344.499 3.315 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000358180967 457840406 /nfs/dbraw/zinc/84/04/06/457840406.db2.gz SLFNNOZZKBWLOJ-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3C[NH+](C4CCCCC4)C3)ccc21 ZINC000457828004 457842407 /nfs/dbraw/zinc/84/24/07/457842407.db2.gz IQJHYOMVKGNSKT-HXUWFJFHSA-N 2 0 341.499 3.439 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCc1ccc(Cl)cc1 ZINC000371295903 457852382 /nfs/dbraw/zinc/85/23/82/457852382.db2.gz VSJMGWZJLMCXKG-CEXWTWQISA-N 2 0 336.907 3.456 20 0 EGADRP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371332833 457872157 /nfs/dbraw/zinc/87/21/57/457872157.db2.gz BETSYPWQWLTFQE-SFHVURJKSA-N 2 0 341.499 3.342 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CCOCC5)[C@@H]3C2)cc1 ZINC000433776107 457883896 /nfs/dbraw/zinc/88/38/96/457883896.db2.gz XCBRIEGBCRLNJE-BQJUDKOJSA-N 2 0 340.511 3.303 20 0 EGADRP Cc1cc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc[nH+]1 ZINC000375405336 457917224 /nfs/dbraw/zinc/91/72/24/457917224.db2.gz SHEMZLVUNWNCKS-UHFFFAOYSA-N 2 0 330.520 3.023 20 0 EGADRP CCc1nc(C)c([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000358318600 457930116 /nfs/dbraw/zinc/93/01/16/457930116.db2.gz MNBKBDRPYWIKNW-VBNZEHGJSA-N 2 0 337.533 3.042 20 0 EGADRP C[C@@H]1CC[S@@](=O)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411640177 457936088 /nfs/dbraw/zinc/93/60/88/457936088.db2.gz VEZYYIFRNMMYLS-UZUQRXQVSA-N 2 0 334.529 3.015 20 0 EGADRP C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CCO2 ZINC000411658179 457941716 /nfs/dbraw/zinc/94/17/16/457941716.db2.gz KPQHSIVACYYSTJ-NQIIRXRSSA-N 2 0 344.499 3.052 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000458155135 457946679 /nfs/dbraw/zinc/94/66/79/457946679.db2.gz AMTRJAGMDPIUPJ-SFHVURJKSA-N 2 0 343.515 3.134 20 0 EGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000358387638 457969848 /nfs/dbraw/zinc/96/98/48/457969848.db2.gz UCMVCMOXKSZTAY-QFBILLFUSA-N 2 0 330.520 3.435 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506241 458045088 /nfs/dbraw/zinc/04/50/88/458045088.db2.gz LDMMJCBAAFOCRS-INIZCTEOSA-N 2 0 329.488 3.213 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CCSc3ccccc3)CC2)CC1 ZINC000371779434 458070943 /nfs/dbraw/zinc/07/09/43/458070943.db2.gz ZMFNFWNGVKASIO-UHFFFAOYSA-N 2 0 347.572 3.128 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CCC2)c1 ZINC000428038793 458071082 /nfs/dbraw/zinc/07/10/82/458071082.db2.gz BFWWJMMDGMRBQB-AZUAARDMSA-N 2 0 344.499 3.066 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428045765 458071404 /nfs/dbraw/zinc/07/14/04/458071404.db2.gz RGAWKXCLZRYCDU-BBRMVZONSA-N 2 0 328.378 3.158 20 0 EGADRP OC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000362310091 458096464 /nfs/dbraw/zinc/09/64/64/458096464.db2.gz PLFMHRYLWHDABD-IBGZPJMESA-N 2 0 334.479 3.116 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000412133720 458102806 /nfs/dbraw/zinc/10/28/06/458102806.db2.gz RFILUYWTNBLABY-XLIONFOSSA-N 2 0 343.515 3.227 20 0 EGADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000428247216 458106934 /nfs/dbraw/zinc/10/69/34/458106934.db2.gz SQXIJZXPZYTQTH-HZPDHXFCSA-N 2 0 349.519 3.428 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435369415 458120686 /nfs/dbraw/zinc/12/06/86/458120686.db2.gz FFZAWBWGRXAYAQ-JKSUJKDBSA-N 2 0 326.488 3.339 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435377289 458126358 /nfs/dbraw/zinc/12/63/58/458126358.db2.gz ZWMNFSCFORBSOK-GUYCJALGSA-N 2 0 346.906 3.371 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CC[C@H](C[NH3+])C3)cc2)c1 ZINC000435385761 458132899 /nfs/dbraw/zinc/13/28/99/458132899.db2.gz UALJETOKOUIWSH-MRXNPFEDSA-N 2 0 342.439 3.277 20 0 EGADRP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC[NH2+]CC1 ZINC000435390053 458133617 /nfs/dbraw/zinc/13/36/17/458133617.db2.gz QCEVYGGOFDMMOS-UHFFFAOYSA-N 2 0 338.377 3.075 20 0 EGADRP COc1cc(CN(C)[C@H](C)C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000435389189 458134077 /nfs/dbraw/zinc/13/40/77/458134077.db2.gz KZLRBGMLQDEDET-CQSZACIVSA-N 2 0 332.419 3.192 20 0 EGADRP CC1CCC(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000435426175 458143224 /nfs/dbraw/zinc/14/32/24/458143224.db2.gz GXWCOHMLICBSDF-ABHNRTSZSA-N 2 0 330.520 3.191 20 0 EGADRP CC[C@@H]1C[C@@H](C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)CCO1 ZINC000435441032 458147620 /nfs/dbraw/zinc/14/76/20/458147620.db2.gz CHVMTOICZSCTSA-YESZJQIVSA-N 2 0 337.533 3.068 20 0 EGADRP CC[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435624327 458176762 /nfs/dbraw/zinc/17/67/62/458176762.db2.gz JAPJKSWFWSJPAZ-UYAOXDASSA-N 2 0 343.515 3.034 20 0 EGADRP c1cc(CN(Cc2nc(C3CC3)no2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435690548 458185087 /nfs/dbraw/zinc/18/50/87/458185087.db2.gz CZRVCBAVGSOSPP-OAHLLOKOSA-N 2 0 344.484 3.153 20 0 EGADRP COC[C@@H]1CCCC[NH+](C/C=C/C[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000372109659 458198093 /nfs/dbraw/zinc/19/80/93/458198093.db2.gz UUWMDEHGOFWGFV-WWTANLFGSA-N 2 0 338.536 3.040 20 0 EGADRP C[NH2+]CCCN1CCC[C@@H]1c1ccc(I)cc1 ZINC000435879810 458217793 /nfs/dbraw/zinc/21/77/93/458217793.db2.gz FKFQGMAKYFCWFA-CQSZACIVSA-N 2 0 344.240 3.038 20 0 EGADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccccc1 ZINC000428867162 458226472 /nfs/dbraw/zinc/22/64/72/458226472.db2.gz JVGDLCJOUMDCGY-SFHVURJKSA-N 2 0 345.531 3.447 20 0 EGADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccccc1 ZINC000428867161 458226736 /nfs/dbraw/zinc/22/67/36/458226736.db2.gz JVGDLCJOUMDCGY-GOSISDBHSA-N 2 0 345.531 3.447 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000429062313 458267958 /nfs/dbraw/zinc/26/79/58/458267958.db2.gz QBJGVNWHGMTCGC-RHSMWYFYSA-N 2 0 337.895 3.473 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000376325551 458268115 /nfs/dbraw/zinc/26/81/15/458268115.db2.gz RPVFOAMPEPKHFJ-DLBZAZTESA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000447569262 458313500 /nfs/dbraw/zinc/31/35/00/458313500.db2.gz OOLSVQDDUWIWKB-CQSZACIVSA-N 2 0 341.499 3.441 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000447589406 458317713 /nfs/dbraw/zinc/31/77/13/458317713.db2.gz XUVNEESTTSIYJL-ZIFCJYIRSA-N 2 0 326.488 3.371 20 0 EGADRP C[C@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000429577204 458347638 /nfs/dbraw/zinc/34/76/38/458347638.db2.gz DZMZNDXODNYXBT-PXNSSMCTSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ncc(C(C)(C)C)s2)C[C@H](C)O1 ZINC000447932862 458365919 /nfs/dbraw/zinc/36/59/19/458365919.db2.gz UIFIPXASICBRFE-GASCZTMLSA-N 2 0 339.549 3.420 20 0 EGADRP C[NH+](C)[C@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000372990295 458368241 /nfs/dbraw/zinc/36/82/41/458368241.db2.gz PGRDYNOBJHKVGZ-ICSRJNTNSA-N 2 0 332.488 3.161 20 0 EGADRP COCc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000459431956 458369024 /nfs/dbraw/zinc/36/90/24/458369024.db2.gz GDOYSJLHUUNSGU-WMZOPIPTSA-N 2 0 343.471 3.211 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000459445562 458373371 /nfs/dbraw/zinc/37/33/71/458373371.db2.gz DJUWMDRFLGRAMB-OWJWWREXSA-N 2 0 343.496 3.139 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459474498 458385796 /nfs/dbraw/zinc/38/57/96/458385796.db2.gz XYMODZIHPRPSHV-QFIPXVFZSA-N 2 0 336.479 3.420 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459528067 458400659 /nfs/dbraw/zinc/40/06/59/458400659.db2.gz QWHMCEIQFBDCRW-LJQANCHMSA-N 2 0 328.500 3.425 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCCC2 ZINC000430235971 458426154 /nfs/dbraw/zinc/42/61/54/458426154.db2.gz GBKOXVLQRLPXEU-NJDAHSKKSA-N 2 0 328.500 3.249 20 0 EGADRP CC(C)C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CCO1 ZINC000373202029 458428158 /nfs/dbraw/zinc/42/81/58/458428158.db2.gz MVSICXTUAOCOFF-PMACEKPBSA-N 2 0 331.504 3.229 20 0 EGADRP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423438781 458433558 /nfs/dbraw/zinc/43/35/58/458433558.db2.gz NFSARMJWZBOUGI-ZVEHZALQSA-N 2 0 332.463 3.271 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCc2nccn2C)cc1 ZINC000423464250 458436384 /nfs/dbraw/zinc/43/63/84/458436384.db2.gz QNDVRQRMHBRREH-XYJFISCASA-N 2 0 342.487 3.167 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423464955 458436399 /nfs/dbraw/zinc/43/63/99/458436399.db2.gz WCGAZESZQGGELU-MLGOLLRUSA-N 2 0 325.294 3.487 20 0 EGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491417 458442789 /nfs/dbraw/zinc/44/27/89/458442789.db2.gz JOXHCAGAZSNCCJ-CVEARBPZSA-N 2 0 329.488 3.192 20 0 EGADRP CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000423515957 458448928 /nfs/dbraw/zinc/44/89/28/458448928.db2.gz XROGFRXOQHMYFQ-WBMJQRKESA-N 2 0 332.469 3.448 20 0 EGADRP NC1(C[NH2+][C@H]2CCCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423526477 458451635 /nfs/dbraw/zinc/45/16/35/458451635.db2.gz LHOCDOAJDJMKST-IBGZPJMESA-N 2 0 327.516 3.292 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535187 458453560 /nfs/dbraw/zinc/45/35/60/458453560.db2.gz CHAFDNCFVGNYME-INIZCTEOSA-N 2 0 339.252 3.475 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423532081 458454083 /nfs/dbraw/zinc/45/40/83/458454083.db2.gz UOGIABGVZLHSQC-UHFFFAOYSA-N 2 0 348.531 3.242 20 0 EGADRP C[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423536257 458454540 /nfs/dbraw/zinc/45/45/40/458454540.db2.gz ZEOSPZHCSFITBE-FNAHDJPLSA-N 2 0 335.495 3.167 20 0 EGADRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000423540059 458455005 /nfs/dbraw/zinc/45/50/05/458455005.db2.gz CPYCLBJOSQSVFM-JOCBIADPSA-N 2 0 344.890 3.141 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1F ZINC000423551125 458455628 /nfs/dbraw/zinc/45/56/28/458455628.db2.gz TXAAEMCTIAGBQI-JXFSHQFZSA-N 2 0 326.843 3.144 20 0 EGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000423563083 458458507 /nfs/dbraw/zinc/45/85/07/458458507.db2.gz KPMASLLNSABRSY-MRXNPFEDSA-N 2 0 329.513 3.392 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430578793 458465477 /nfs/dbraw/zinc/46/54/77/458465477.db2.gz XPJMDYKHHPWLHS-VQIMIIECSA-N 2 0 325.456 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000459743217 458466077 /nfs/dbraw/zinc/46/60/77/458466077.db2.gz WYCGSJBQTXIBPL-GOSISDBHSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1cccc2ccccc21 ZINC000430614552 458471248 /nfs/dbraw/zinc/47/12/48/458471248.db2.gz ZECFNJCQHSIIBC-KXBFYZLASA-N 2 0 325.456 3.370 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1 ZINC000423738068 458478026 /nfs/dbraw/zinc/47/80/26/458478026.db2.gz BLRMQGIQFFUWOS-INIZCTEOSA-N 2 0 331.504 3.290 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CC[NH2+]CC1 ZINC000423752010 458479133 /nfs/dbraw/zinc/47/91/33/458479133.db2.gz ANJOKHLHRFIQQB-QGZVFWFLSA-N 2 0 343.515 3.289 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000373392865 458480548 /nfs/dbraw/zinc/48/05/48/458480548.db2.gz KDSOMSJGJTUXHJ-PZJWPPBQSA-N 2 0 329.532 3.184 20 0 EGADRP Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000459800306 458483135 /nfs/dbraw/zinc/48/31/35/458483135.db2.gz ZNVXUSCFIZYNDE-OAHLLOKOSA-N 2 0 330.451 3.048 20 0 EGADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430912456 458503930 /nfs/dbraw/zinc/50/39/30/458503930.db2.gz LODKHVJUUUFYNF-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000430927416 458506303 /nfs/dbraw/zinc/50/63/03/458506303.db2.gz QLJPBPRCFMEDDI-MRXNPFEDSA-N 2 0 337.467 3.498 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000430922644 458506476 /nfs/dbraw/zinc/50/64/76/458506476.db2.gz BSIYGWUUYUIOCX-OAHLLOKOSA-N 2 0 325.456 3.228 20 0 EGADRP C[C@@H]1CN(Cc2cc(Br)cc3cccnc32)CC[C@H]1[NH3+] ZINC000430944165 458508948 /nfs/dbraw/zinc/50/89/48/458508948.db2.gz SDEZUFIKIPDJEG-IAQYHMDHSA-N 2 0 334.261 3.166 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3CCC[C@@H]32)cc1 ZINC000453117524 458518657 /nfs/dbraw/zinc/51/86/57/458518657.db2.gz JJYZJWHODOODJB-SSFAQJFESA-N 2 0 326.484 3.339 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000431052564 458521926 /nfs/dbraw/zinc/52/19/26/458521926.db2.gz YAMUWRIFFNZSFP-WOJBJXKFSA-N 2 0 345.531 3.441 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000431056729 458522023 /nfs/dbraw/zinc/52/20/23/458522023.db2.gz FHJOWQVQEBFLNY-RTBURBONSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)n1 ZINC000431082893 458526016 /nfs/dbraw/zinc/52/60/16/458526016.db2.gz WSLXQNPZDXDJGP-UHFFFAOYSA-N 2 0 348.878 3.372 20 0 EGADRP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000377896902 458567022 /nfs/dbraw/zinc/56/70/22/458567022.db2.gz ALOOLROGGQTRIN-HXUWFJFHSA-N 2 0 329.532 3.212 20 0 EGADRP C[C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)CN(Cc2ccccc2)C1 ZINC000438354945 458569229 /nfs/dbraw/zinc/56/92/29/458569229.db2.gz QQQAHLAFRCHGMT-BWAGFHJFSA-N 2 0 338.495 3.090 20 0 EGADRP [NH3+][C@H](CCC(=O)NCCc1cn2ccccc2n1)CC1CCCCC1 ZINC000424141771 458569333 /nfs/dbraw/zinc/56/93/33/458569333.db2.gz XILQMGWLVRJESI-QGZVFWFLSA-N 2 0 342.487 3.071 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@@H](C)C1 ZINC000424143914 458570591 /nfs/dbraw/zinc/57/05/91/458570591.db2.gz KDLHRRRJQDBANH-WDSOQIARSA-N 2 0 337.552 3.253 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424279395 458602744 /nfs/dbraw/zinc/60/27/44/458602744.db2.gz FXNCWZVOMFBSEZ-ZFWWWQNUSA-N 2 0 328.884 3.356 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccn(-c3ccc(F)cc3F)n1)CC[NH2+]CC2 ZINC000424291274 458605846 /nfs/dbraw/zinc/60/58/46/458605846.db2.gz NIPKUVBABWVLSU-CQSZACIVSA-N 2 0 346.425 3.115 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302359 458610645 /nfs/dbraw/zinc/61/06/45/458610645.db2.gz ZGUSEOSXUNOACV-OAHLLOKOSA-N 2 0 347.528 3.201 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000438821458 458616880 /nfs/dbraw/zinc/61/68/80/458616880.db2.gz SCFPTOPQZUCECF-CXAGYDPISA-N 2 0 339.430 3.098 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000431798711 458626389 /nfs/dbraw/zinc/62/63/89/458626389.db2.gz QSJMOPVDFRDXTD-FQEVSTJZSA-N 2 0 343.515 3.156 20 0 EGADRP CCOc1c(OC)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424383724 458630416 /nfs/dbraw/zinc/63/04/16/458630416.db2.gz UJZGFFBQTBGZEX-HNNXBMFYSA-N 2 0 348.487 3.067 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000502242922 458641943 /nfs/dbraw/zinc/64/19/43/458641943.db2.gz UGUOTBQSEXWHHK-IAGOWNOFSA-N 2 0 334.504 3.265 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000424430631 458642010 /nfs/dbraw/zinc/64/20/10/458642010.db2.gz CUPRCKOGDRDBJR-UHFFFAOYSA-N 2 0 344.503 3.182 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)oc1C ZINC000502478304 458651478 /nfs/dbraw/zinc/65/14/78/458651478.db2.gz AYLYJKDQBWACEO-HNNXBMFYSA-N 2 0 349.519 3.174 20 0 EGADRP COCC[NH+]1CCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)CC1 ZINC000462916649 458666263 /nfs/dbraw/zinc/66/62/63/458666263.db2.gz HCCAWVIUNYYNEX-UHFFFAOYSA-N 2 0 333.863 3.273 20 0 EGADRP CCC[C@@H](CCc1ccccc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000471593421 458702432 /nfs/dbraw/zinc/70/24/32/458702432.db2.gz KYNRKIHYDBOUTG-CTNGQTDRSA-N 2 0 331.548 3.404 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432250390 458705970 /nfs/dbraw/zinc/70/59/70/458705970.db2.gz JCNURGHXQHPDCR-UHFFFAOYSA-N 2 0 348.293 3.248 20 0 EGADRP COc1ccc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432361334 458723660 /nfs/dbraw/zinc/72/36/60/458723660.db2.gz DEQCSAOFVRFREQ-QGZVFWFLSA-N 2 0 342.483 3.439 20 0 EGADRP c1cc(OCC2CC2)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247890 458730736 /nfs/dbraw/zinc/73/07/36/458730736.db2.gz CLNXYRCLSCQPTJ-OAQYLSRUSA-N 2 0 344.499 3.066 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]CC3CC[NH+](CCN(C)C)CC3)cc2c1C ZINC000472042910 458763521 /nfs/dbraw/zinc/76/35/21/458763521.db2.gz NBGZHWKGWXYXBR-UHFFFAOYSA-N 2 0 342.531 3.148 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000439956520 458770003 /nfs/dbraw/zinc/77/00/03/458770003.db2.gz MIFMPPWQXTTWDM-YLJYHZDGSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]([NH2+]CCCCn1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828538 458800602 /nfs/dbraw/zinc/80/06/02/458800602.db2.gz ZHIXZBSVHLNYBO-ICSRJNTNSA-N 2 0 326.488 3.164 20 0 EGADRP CC[N@H+](CC[C@H]1CCCC[NH+]1C)CC1CCN(c2ccccn2)CC1 ZINC000472578452 458802189 /nfs/dbraw/zinc/80/21/89/458802189.db2.gz GPUPLSMVUSVYDQ-HXUWFJFHSA-N 2 0 344.547 3.494 20 0 EGADRP CC(C)[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000474152205 458865562 /nfs/dbraw/zinc/86/55/62/458865562.db2.gz SWYQKIJGDFELMT-OAQYLSRUSA-N 2 0 330.516 3.470 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccc(F)cc1 ZINC000441258050 458906477 /nfs/dbraw/zinc/90/64/77/458906477.db2.gz SNOKXVANQXIBFQ-NXHRZFHOSA-N 2 0 338.492 3.101 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495679777 458917931 /nfs/dbraw/zinc/91/79/31/458917931.db2.gz NKYRENVMFIRMQP-HNNXBMFYSA-N 2 0 347.503 3.093 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC12CCCCC2)c1ccccc1 ZINC000475138530 458922423 /nfs/dbraw/zinc/92/24/23/458922423.db2.gz MSIKIXJBFLMEMG-IBGZPJMESA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000519421789 458947972 /nfs/dbraw/zinc/94/79/72/458947972.db2.gz AYHKBEKZUIBWHD-UHFFFAOYSA-N 2 0 325.456 3.105 20 0 EGADRP Cn1ccc([C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(F)cc2)n1 ZINC000577382379 459025010 /nfs/dbraw/zinc/02/50/10/459025010.db2.gz PUXAKWMBUNWPKM-SPYBWZPUSA-N 2 0 330.451 3.003 20 0 EGADRP Cn1ccc([C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(F)cc2)n1 ZINC000577382376 459025516 /nfs/dbraw/zinc/02/55/16/459025516.db2.gz PUXAKWMBUNWPKM-DOXZYTNZSA-N 2 0 330.451 3.003 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)cc1 ZINC000442756914 459031821 /nfs/dbraw/zinc/03/18/21/459031821.db2.gz LARHRMHVCUMVMH-BBWFWOEESA-N 2 0 326.444 3.391 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442778526 459033866 /nfs/dbraw/zinc/03/38/66/459033866.db2.gz GIONPPBADIBGQU-JWTNVVGKSA-N 2 0 337.467 3.383 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000532166935 459041665 /nfs/dbraw/zinc/04/16/65/459041665.db2.gz XSCLOLQPNMVUCV-UYAOXDASSA-N 2 0 338.536 3.159 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)o1 ZINC000589950709 459055830 /nfs/dbraw/zinc/05/58/30/459055830.db2.gz BLYLIISUDIWLPJ-QGZVFWFLSA-N 2 0 347.503 3.212 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1OCC(F)(F)F ZINC000442916970 459059888 /nfs/dbraw/zinc/05/98/88/459059888.db2.gz BGFLCIUREAXTKQ-CYBMUJFWSA-N 2 0 346.393 3.197 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000442926319 459061992 /nfs/dbraw/zinc/06/19/92/459061992.db2.gz YIHNIOIYVBKQLU-CQSZACIVSA-N 2 0 331.485 3.380 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477923791 459067523 /nfs/dbraw/zinc/06/75/23/459067523.db2.gz BZUVMXJSCWSNDV-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532480957 459096523 /nfs/dbraw/zinc/09/65/23/459096523.db2.gz HWUMHKUSIVOGMB-JKSUJKDBSA-N 2 0 329.488 3.342 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1cc(F)ccc1F ZINC000479071323 459120416 /nfs/dbraw/zinc/12/04/16/459120416.db2.gz RAXDAEPMQSECSF-KDOFPFPSSA-N 2 0 326.431 3.220 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)C(C)(C)C ZINC000567689331 459146270 /nfs/dbraw/zinc/14/62/70/459146270.db2.gz IAGKYKXYSPHVCK-PBHICJAKSA-N 2 0 342.911 3.036 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480767781 459217578 /nfs/dbraw/zinc/21/75/78/459217578.db2.gz FJSUZDIGIXXQEI-LZQZEXGQSA-N 2 0 335.923 3.407 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCCC1 ZINC000480900556 459222615 /nfs/dbraw/zinc/22/26/15/459222615.db2.gz RDUXTHZOUTVHBQ-OALUTQOASA-N 3 0 347.547 3.400 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC(C[NH+](C)C(C)C)CC1)c1ccccc1 ZINC000590808608 459229040 /nfs/dbraw/zinc/22/90/40/459229040.db2.gz FMBHGEFDBXSCPB-HXUWFJFHSA-N 2 0 345.531 3.258 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000590818907 459232605 /nfs/dbraw/zinc/23/26/05/459232605.db2.gz HKZFANTUFVDXOU-KRWDZBQOSA-N 2 0 331.504 3.090 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(OC(F)F)c1 ZINC000568415563 459286661 /nfs/dbraw/zinc/28/66/61/459286661.db2.gz XSXBHMZXIUEOQM-ZIAGYGMSSA-N 2 0 328.403 3.436 20 0 EGADRP Cc1cnc2cc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000568528655 459303057 /nfs/dbraw/zinc/30/30/57/459303057.db2.gz GMQDPMCOQHCICG-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP CC[NH2+]CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000568618518 459316991 /nfs/dbraw/zinc/31/69/91/459316991.db2.gz KHSNPEKSAISXGA-MRXNPFEDSA-N 2 0 325.294 3.359 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000483159056 459347055 /nfs/dbraw/zinc/34/70/55/459347055.db2.gz NPMPLYHEAXRGOO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000524156196 459349320 /nfs/dbraw/zinc/34/93/20/459349320.db2.gz SZBQEBXGHYXJQG-ZIFCJYIRSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496892355 459360997 /nfs/dbraw/zinc/36/09/97/459360997.db2.gz PXPXOXKGHGBHDZ-ZGRYLRDCSA-N 2 0 339.524 3.237 20 0 EGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000568888758 459361132 /nfs/dbraw/zinc/36/11/32/459361132.db2.gz CLHJFFBXWHLGJN-INIZCTEOSA-N 2 0 344.528 3.017 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000560582917 459375967 /nfs/dbraw/zinc/37/59/67/459375967.db2.gz KOVWNGCPIUXXNJ-NRFANRHFSA-N 2 0 329.532 3.158 20 0 EGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000569002645 459380597 /nfs/dbraw/zinc/38/05/97/459380597.db2.gz BZWTWLIPSSCJNS-LEWJYISDSA-N 3 0 329.532 3.048 20 0 EGADRP C[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[NH2+]C1 ZINC000560943317 459408036 /nfs/dbraw/zinc/40/80/36/459408036.db2.gz SBMNAMWMPKLFON-JSGCOSHPSA-N 2 0 345.468 3.017 20 0 EGADRP Cc1nc2c(c(N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n1)CCCC2 ZINC000541090846 459426076 /nfs/dbraw/zinc/42/60/76/459426076.db2.gz WCNWXVGNXIAOMX-GDBMZVCRSA-N 2 0 328.504 3.151 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000541574313 459467851 /nfs/dbraw/zinc/46/78/51/459467851.db2.gz JKWNONGJULTLLJ-CVEARBPZSA-N 2 0 325.541 3.170 20 0 EGADRP O=C(Nc1cnc2n1CCCC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000569676272 459491167 /nfs/dbraw/zinc/49/11/67/459491167.db2.gz ZWKHARWUSDIKJK-QGZVFWFLSA-N 2 0 338.455 3.070 20 0 EGADRP Cc1ccc(NC(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c(F)c1 ZINC000583218381 459503375 /nfs/dbraw/zinc/50/33/75/459503375.db2.gz ZQMOXDRPJZYUPE-UHFFFAOYSA-N 2 0 335.467 3.125 20 0 EGADRP CC[N@H+](C[C@@H](O)CN(C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034324 459504765 /nfs/dbraw/zinc/50/47/65/459504765.db2.gz UZTHJEFPUORBMT-VQTJNVASSA-N 2 0 336.495 3.170 20 0 EGADRP CC[N@H+](C[C@H](O)CN(C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034323 459504946 /nfs/dbraw/zinc/50/49/46/459504946.db2.gz UZTHJEFPUORBMT-UXHICEINSA-N 2 0 336.495 3.170 20 0 EGADRP c1cnn(-c2cccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)c1 ZINC000526990307 459573167 /nfs/dbraw/zinc/57/31/67/459573167.db2.gz WKKIWOXUKIHNQS-OAQYLSRUSA-N 2 0 346.478 3.484 20 0 EGADRP CC1=CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000572861928 459587906 /nfs/dbraw/zinc/58/79/06/459587906.db2.gz GSJGGKGAYQKDFZ-RTWAWAEBSA-N 2 0 327.516 3.454 20 0 EGADRP FC(F)(F)Oc1ccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471227 459608379 /nfs/dbraw/zinc/60/83/79/459608379.db2.gz NIMQTYKMYXCHFD-UHFFFAOYSA-N 2 0 344.377 3.180 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000527521987 459654821 /nfs/dbraw/zinc/65/48/21/459654821.db2.gz SXMCZBPOUJMDDW-FUHWJXTLSA-N 2 0 332.488 3.076 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000500126669 459666547 /nfs/dbraw/zinc/66/65/47/459666547.db2.gz UHTHBCRNGGBWCZ-QGZVFWFLSA-N 2 0 328.566 3.485 20 0 EGADRP O=C(CC[NH2+][C@H]1CCN(C2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000584167889 459670568 /nfs/dbraw/zinc/67/05/68/459670568.db2.gz JYDBUDGFWSTQGF-INIZCTEOSA-N 2 0 335.879 3.275 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)CC[NH2+]1 ZINC000527617430 459670663 /nfs/dbraw/zinc/67/06/63/459670663.db2.gz KZUYDPAZDUTRQX-NEPJUHHUSA-N 2 0 341.268 3.334 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000562956104 459679673 /nfs/dbraw/zinc/67/96/73/459679673.db2.gz DPUPWRHYMRQGED-FQEVSTJZSA-N 2 0 327.472 3.352 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1ccsc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000527636422 459680523 /nfs/dbraw/zinc/68/05/23/459680523.db2.gz ONWKKJZOZKPSTB-CQSZACIVSA-N 2 0 349.466 3.129 20 0 EGADRP Fc1c(Br)ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000527638562 459680845 /nfs/dbraw/zinc/68/08/45/459680845.db2.gz VMMHWKPJKPLOKW-NWDGAFQWSA-N 2 0 345.231 3.444 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000584226937 459685567 /nfs/dbraw/zinc/68/55/67/459685567.db2.gz XKCXUJLVOYQVPF-UWJYYQICSA-N 2 0 326.484 3.065 20 0 EGADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000563064523 459708297 /nfs/dbraw/zinc/70/82/97/459708297.db2.gz MRQSHNQKMMYAPI-OXJNMPFZSA-N 2 0 343.515 3.065 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2CC)c1 ZINC000563090425 459714575 /nfs/dbraw/zinc/71/45/75/459714575.db2.gz NVFVHRUAHIDILF-WOJBJXKFSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)n1ccnc1 ZINC000563216545 459741334 /nfs/dbraw/zinc/74/13/34/459741334.db2.gz HWAOEIGRUDZRNW-HNNXBMFYSA-N 2 0 326.444 3.110 20 0 EGADRP Fc1cc2c(cc1Cl)[C@@H]([NH2+]CCCC[NH+]1CCOCC1)CC2 ZINC000527855396 459760014 /nfs/dbraw/zinc/76/00/14/459760014.db2.gz XKBMOYJWDPVGJR-KRWDZBQOSA-N 2 0 326.843 3.168 20 0 EGADRP CC(C)c1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000527860838 459761053 /nfs/dbraw/zinc/76/10/53/459761053.db2.gz YOUNVDWARHQPGI-APWZRJJASA-N 2 0 331.504 3.048 20 0 EGADRP C[C@H](CCc1ccccc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544486278 459763846 /nfs/dbraw/zinc/76/38/46/459763846.db2.gz DXPITKYCABWBLX-HXUWFJFHSA-N 2 0 343.559 3.357 20 0 EGADRP C[C@H]1C[C@H]([N@H+](C)CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000574168820 459787997 /nfs/dbraw/zinc/78/79/97/459787997.db2.gz JQSPARONYCKYIM-AZUAARDMSA-N 3 0 340.515 3.338 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000584775170 459800507 /nfs/dbraw/zinc/80/05/07/459800507.db2.gz DZGZLJATEXBNIT-CKEIUWERSA-N 2 0 344.421 3.046 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2n[nH]cc2c1 ZINC000566088585 459803177 /nfs/dbraw/zinc/80/31/77/459803177.db2.gz FMPSZGDJWSPWGE-ONTRVFCTSA-N 2 0 348.450 3.469 20 0 EGADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCOC(C)(C)C)c1ccccc1O2 ZINC000584815673 459807036 /nfs/dbraw/zinc/80/70/36/459807036.db2.gz SJONZHISVIVUMW-KRWDZBQOSA-N 2 0 332.488 3.379 20 0 EGADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000597047053 459823648 /nfs/dbraw/zinc/82/36/48/459823648.db2.gz NIQVHYBGAKNYEQ-OAHLLOKOSA-N 2 0 336.451 3.357 20 0 EGADRP C[C@@H]1CC2(CN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1)CC[NH2+]CC2 ZINC000574564488 459834049 /nfs/dbraw/zinc/83/40/49/459834049.db2.gz RJKMHFZUYUQYKT-SJLPKXTDSA-N 2 0 335.536 3.055 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3snnc3C)C2)s1 ZINC000566306720 459839200 /nfs/dbraw/zinc/83/92/00/459839200.db2.gz WRXUMCZIGVCPOT-AWEZNQCLSA-N 2 0 336.530 3.170 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3c(C)cc(C)cc3C)C2)CC1 ZINC000602467725 459952040 /nfs/dbraw/zinc/95/20/40/459952040.db2.gz YUMRNIHEIQJTOJ-NGXITPROSA-N 2 0 341.543 3.337 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000621718737 460024379 /nfs/dbraw/zinc/02/43/79/460024379.db2.gz RMFIAYVKTDQBJA-APWZRJJASA-N 2 0 335.561 3.158 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000589143376 460038917 /nfs/dbraw/zinc/03/89/17/460038917.db2.gz LPEPOHXBPNIACV-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602642678 460039249 /nfs/dbraw/zinc/03/92/49/460039249.db2.gz FXVYDFUFYLCAQL-JRBPQWBISA-N 2 0 342.483 3.286 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c2ccccc21 ZINC000621752652 460049802 /nfs/dbraw/zinc/04/98/02/460049802.db2.gz BVNDVQVRBIHUTK-HKUYNNGSSA-N 2 0 331.504 3.440 20 0 EGADRP O=C(NCC12CCC[NH+]1CCC2)c1cccc(Oc2ccncc2)c1 ZINC000614226355 460055576 /nfs/dbraw/zinc/05/55/76/460055576.db2.gz AXRVQBCXVHQYRJ-UHFFFAOYSA-N 2 0 337.423 3.232 20 0 EGADRP COC(=O)CC1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000599041627 460137102 /nfs/dbraw/zinc/13/71/02/460137102.db2.gz FVGNBFZOIZOSBN-ZLZJIPBDSA-N 2 0 336.520 3.351 20 0 EGADRP CC(C)(C)[C@H]1C[NH+](CCCC[N@@H+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000576504464 460155722 /nfs/dbraw/zinc/15/57/22/460155722.db2.gz HCHACSPHGPKDQT-QZTJIDSGSA-N 2 0 340.552 3.260 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1(O)CCCC1 ZINC000576748463 460205165 /nfs/dbraw/zinc/20/51/65/460205165.db2.gz HXLNPLLKWBPGKO-UHFFFAOYSA-N 2 0 328.456 3.306 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000599310931 460224495 /nfs/dbraw/zinc/22/44/95/460224495.db2.gz GLKBDRXZHXUKTC-HXUWFJFHSA-N 2 0 343.515 3.019 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](CCC)C2)cc1 ZINC000619899877 460465948 /nfs/dbraw/zinc/46/59/48/460465948.db2.gz TYAAOHLOIFOXNY-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP COc1cccc2c1OCCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000631622859 460476185 /nfs/dbraw/zinc/47/61/85/460476185.db2.gz QQXUCWWMYVMLMR-SFHVURJKSA-N 2 0 330.472 3.373 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000634687499 460478385 /nfs/dbraw/zinc/47/83/85/460478385.db2.gz NGXMKUVTUJYRSN-PXNSSMCTSA-N 2 0 341.499 3.461 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000631666087 460500160 /nfs/dbraw/zinc/50/01/60/460500160.db2.gz ZUGPANOOWPIWQN-POAQFYNOSA-N 2 0 338.499 3.155 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668597 460501431 /nfs/dbraw/zinc/50/14/31/460501431.db2.gz ZTADPIHJQBKFMN-BXWFABGCSA-N 2 0 326.488 3.147 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668099 460501659 /nfs/dbraw/zinc/50/16/59/460501659.db2.gz VLLBEXFSZAOWRJ-OPYAIIAOSA-N 3 0 329.532 3.074 20 0 EGADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000629399234 460747993 /nfs/dbraw/zinc/74/79/93/460747993.db2.gz DPWSMBUEJCTHSZ-CVEARBPZSA-N 2 0 330.394 3.297 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000623860426 460749263 /nfs/dbraw/zinc/74/92/63/460749263.db2.gz WQYVPNSVRWIFHS-NHCUHLMSSA-N 2 0 331.548 3.259 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1)C(C)C ZINC000607033364 460780750 /nfs/dbraw/zinc/78/07/50/460780750.db2.gz RZPKQQHFGCBUDG-UHFFFAOYSA-N 2 0 333.520 3.331 20 0 EGADRP C[NH+](C)CC1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000635452967 460793120 /nfs/dbraw/zinc/79/31/20/460793120.db2.gz KNMQLVYDTVCWET-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629535019 460799103 /nfs/dbraw/zinc/79/91/03/460799103.db2.gz BVYZRYOOKOHTPB-UEXGIBASSA-N 2 0 345.531 3.486 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000629541833 460801058 /nfs/dbraw/zinc/80/10/58/460801058.db2.gz WWZQGAHBQPWREY-RXVVDRJESA-N 2 0 345.531 3.486 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cc2c1 ZINC000629546960 460803885 /nfs/dbraw/zinc/80/38/85/460803885.db2.gz IWHGXSHMFREUOI-HMXCVIKNSA-N 2 0 339.483 3.404 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617349596 460823306 /nfs/dbraw/zinc/82/33/06/460823306.db2.gz SCYPCZPQVBAHPD-AWEZNQCLSA-N 2 0 343.471 3.097 20 0 EGADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000620935672 460832063 /nfs/dbraw/zinc/83/20/63/460832063.db2.gz VOFLHNHWXCHWAY-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000624123447 460872952 /nfs/dbraw/zinc/87/29/52/460872952.db2.gz MASPYHVBNLZFAU-RYUDHWBXSA-N 2 0 344.272 3.366 20 0 EGADRP C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000629701709 460875985 /nfs/dbraw/zinc/87/59/85/460875985.db2.gz YTHCIAUWTDMHCK-HRAATJIYSA-N 2 0 340.467 3.343 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000635996903 461002540 /nfs/dbraw/zinc/00/25/40/461002540.db2.gz LBYRXPLSHYFSNQ-OALUTQOASA-N 2 0 327.472 3.191 20 0 EGADRP Cc1ccc([C@@H](C)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000628210331 461050025 /nfs/dbraw/zinc/05/00/25/461050025.db2.gz ROCVTBMCYSRGGG-SFHVURJKSA-N 2 0 329.532 3.247 20 0 EGADRP Cc1ccc([C@@H](C)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000628234251 461056167 /nfs/dbraw/zinc/05/61/67/461056167.db2.gz RONHBJMYFROKFC-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP Cc1ccc([C@@H](C)C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628278840 461070354 /nfs/dbraw/zinc/07/03/54/461070354.db2.gz JRMDRSXIPZGVDY-RXVVDRJESA-N 2 0 329.532 3.199 20 0 EGADRP Cc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ncc1Br ZINC000628281429 461071948 /nfs/dbraw/zinc/07/19/48/461071948.db2.gz YWBOFJMABCSXEO-BBRMVZONSA-N 2 0 338.293 3.069 20 0 EGADRP Cc1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000652348133 461142352 /nfs/dbraw/zinc/14/23/52/461142352.db2.gz VKWQONPWOQKXMA-ZVDOUQERSA-N 2 0 346.515 3.291 20 0 EGADRP Clc1ccc(Cl)c(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000652353104 461147563 /nfs/dbraw/zinc/14/75/63/461147563.db2.gz BKJFUZMTTOTHNI-ZDUSSCGKSA-N 2 0 328.287 3.115 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290816 461167779 /nfs/dbraw/zinc/16/77/79/461167779.db2.gz KXJMCSHNILTNQS-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293227 461170969 /nfs/dbraw/zinc/17/09/69/461170969.db2.gz DNWSQMVJRNLPHB-SJLPKXTDSA-N 2 0 329.488 3.034 20 0 EGADRP [NH3+]CCOCC[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC000662294930 461173591 /nfs/dbraw/zinc/17/35/91/461173591.db2.gz HLELPTGBACRPHG-UHFFFAOYSA-N 2 0 341.293 3.173 20 0 EGADRP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298357 461174900 /nfs/dbraw/zinc/17/49/00/461174900.db2.gz VRYLONVPYQWWPD-GOEBONIOSA-N 2 0 340.471 3.108 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297763 461175521 /nfs/dbraw/zinc/17/55/21/461175521.db2.gz RNXIJHRSVOONSP-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP Clc1ccc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000662299025 461177526 /nfs/dbraw/zinc/17/75/26/461177526.db2.gz JAHDDOYBSDDSHS-CYBMUJFWSA-N 2 0 328.287 3.115 20 0 EGADRP CN(CCc1ccccc1)[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662307510 461181608 /nfs/dbraw/zinc/18/16/08/461181608.db2.gz WSGUGHBLJBWECR-NRFANRHFSA-N 2 0 329.532 3.015 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000662356332 461206529 /nfs/dbraw/zinc/20/65/29/461206529.db2.gz OHPDJWATGXUKPD-OAQYLSRUSA-N 2 0 349.478 3.133 20 0 EGADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000662399998 461232459 /nfs/dbraw/zinc/23/24/59/461232459.db2.gz YCDXQUMODWDSBB-IBGZPJMESA-N 2 0 331.504 3.065 20 0 EGADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000638101088 461240675 /nfs/dbraw/zinc/24/06/75/461240675.db2.gz SQPGFHJBFLSQLG-HXUWFJFHSA-N 2 0 345.531 3.121 20 0 EGADRP CCOC1CC[NH+](CCC(C)CC[NH+]2CCC(OCC)CC2)CC1 ZINC000662543821 461291248 /nfs/dbraw/zinc/29/12/48/461291248.db2.gz UXZPEQPPGOUCET-UHFFFAOYSA-N 2 0 340.552 3.405 20 0 EGADRP CC(C)c1[nH+]c(CN[C@H]2Cc3ccccc3N(C)C2=O)c2ccccn21 ZINC000668476115 461296978 /nfs/dbraw/zinc/29/69/78/461296978.db2.gz YDPMMMIFOFNFQT-INIZCTEOSA-N 2 0 348.450 3.135 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675331 461343521 /nfs/dbraw/zinc/34/35/21/461343521.db2.gz LKKYVPPKSCSELG-VQIMIIECSA-N 2 0 343.515 3.065 20 0 EGADRP CCn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000641775225 461366471 /nfs/dbraw/zinc/36/64/71/461366471.db2.gz YSDWBUBDNHUGCE-QGZVFWFLSA-N 2 0 326.488 3.392 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+]CC3CCSCC3)CC2)cc1 ZINC000638385770 461400472 /nfs/dbraw/zinc/40/04/72/461400472.db2.gz HGQAMZHNCITJFS-UHFFFAOYSA-N 2 0 347.572 3.322 20 0 EGADRP C[N@H+](CC1=CCSC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000668775942 461429248 /nfs/dbraw/zinc/42/92/48/461429248.db2.gz UHFRVYHXPGEETP-UHFFFAOYSA-N 2 0 332.513 3.266 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647010566 461481218 /nfs/dbraw/zinc/48/12/18/461481218.db2.gz SUNYKRBPFQAUTI-PKOBYXMFSA-N 2 0 331.504 3.118 20 0 EGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@@H]2CCc3ccccc32)CC1 ZINC000659891568 461484965 /nfs/dbraw/zinc/48/49/65/461484965.db2.gz OTQQOAQPVWUYGN-XLIONFOSSA-N 2 0 330.516 3.131 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(CC[C@H]([NH3+])c3ccccc3)n2)cc1 ZINC000647121307 461508910 /nfs/dbraw/zinc/50/89/10/461508910.db2.gz DICXYJZTWYYZGK-SFHVURJKSA-N 2 0 336.439 3.431 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000647180483 461547522 /nfs/dbraw/zinc/54/75/22/461547522.db2.gz BEKKYOMZASXFDY-UHFFFAOYSA-N 2 0 338.442 3.311 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C[N@@H+]1Cc1ccccc1 ZINC000631099161 461549565 /nfs/dbraw/zinc/54/95/65/461549565.db2.gz GEKFRAYEWAZBRB-AEFFLSMTSA-N 2 0 325.456 3.178 20 0 EGADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638727936 461550937 /nfs/dbraw/zinc/55/09/37/461550937.db2.gz ADRCTVKSKGJQGC-PMACEKPBSA-N 2 0 346.515 3.040 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663346250 461577262 /nfs/dbraw/zinc/57/72/62/461577262.db2.gz RPSALUFRWBZMQT-BVYCBKJFSA-N 2 0 341.543 3.219 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000653253323 461591843 /nfs/dbraw/zinc/59/18/43/461591843.db2.gz PLGWWVJYSUCJEJ-JKSUJKDBSA-N 2 0 347.528 3.331 20 0 EGADRP CC(C)[NH2+]CCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253502 461593066 /nfs/dbraw/zinc/59/30/66/461593066.db2.gz WQMYTCCPXNGNQI-UHFFFAOYSA-N 2 0 335.517 3.201 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)[C@H](C)[C@@H]2C)cc1)C(C)C ZINC000650149804 461600386 /nfs/dbraw/zinc/60/03/86/461600386.db2.gz KKPSRRILQDWPRG-KURKYZTESA-N 2 0 345.531 3.470 20 0 EGADRP CN(CC[N@H+](C)CC[C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000660139062 461604490 /nfs/dbraw/zinc/60/44/90/461604490.db2.gz HSLWCBOWTUOXIX-IBGZPJMESA-N 2 0 329.532 3.064 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000638862297 461625718 /nfs/dbraw/zinc/62/57/18/461625718.db2.gz REVLKDHMBRCCMD-MRXNPFEDSA-N 2 0 329.488 3.187 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](O)C(C)C ZINC000666446741 461631570 /nfs/dbraw/zinc/63/15/70/461631570.db2.gz JPVXRMHJMVMHOR-WOJBJXKFSA-N 2 0 334.504 3.046 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CSc3ccc(Br)cc32)C1 ZINC000656198805 461644813 /nfs/dbraw/zinc/64/48/13/461644813.db2.gz WTGYTDSECDCEFE-NQBHXWOUSA-N 2 0 327.291 3.455 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000663465938 461654926 /nfs/dbraw/zinc/65/49/26/461654926.db2.gz ZSONVQXVTKEMDP-OHTSDLOESA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467964 461657560 /nfs/dbraw/zinc/65/75/60/461657560.db2.gz IZPZBRHBMKZKLJ-HKUYNNGSSA-N 2 0 343.515 3.140 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663470537 461660152 /nfs/dbraw/zinc/66/01/52/461660152.db2.gz VAWCITSZZQBOGT-MJGOQNOKSA-N 2 0 343.515 3.424 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)cc1 ZINC000639001857 461674894 /nfs/dbraw/zinc/67/48/94/461674894.db2.gz POVQSUPKJJMIGB-UZLBHIALSA-N 2 0 337.467 3.019 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000639061647 461700482 /nfs/dbraw/zinc/70/04/82/461700482.db2.gz ORJQLKVDBWPOLJ-INIZCTEOSA-N 2 0 344.421 3.157 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000669510440 461707196 /nfs/dbraw/zinc/70/71/96/461707196.db2.gz IQABIRSRBIUYHH-ROUUACIJSA-N 2 0 345.874 3.279 20 0 EGADRP C[NH+](C)C1(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639085235 461717844 /nfs/dbraw/zinc/71/78/44/461717844.db2.gz DQMJTFJGDRMSNW-ICSRJNTNSA-N 2 0 327.516 3.428 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCCCc2ccc(F)cc2)CC1 ZINC000639095921 461722005 /nfs/dbraw/zinc/72/20/05/461722005.db2.gz VUBPCKILMMAXNP-UHFFFAOYSA-N 2 0 336.495 3.363 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453188 461730866 /nfs/dbraw/zinc/73/08/66/461730866.db2.gz MQFJTUAJXNDQSE-ZOCIIQOWSA-N 2 0 337.458 3.301 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455434 461733043 /nfs/dbraw/zinc/73/30/43/461733043.db2.gz HKHRBIYNBLRKOX-UKRRQHHQSA-N 2 0 329.410 3.391 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480202 461741028 /nfs/dbraw/zinc/74/10/28/461741028.db2.gz FTOPEMDQMNLFQY-AYZHRIAMSA-N 2 0 327.516 3.017 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000643497158 461746053 /nfs/dbraw/zinc/74/60/53/461746053.db2.gz HKAXZNSOOCPHJR-HKBOAZHASA-N 3 0 327.516 3.019 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000643503485 461749556 /nfs/dbraw/zinc/74/95/56/461749556.db2.gz FZNGJYXCBBGIQV-XGNXJENSSA-N 2 0 343.393 3.282 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521749 461751772 /nfs/dbraw/zinc/75/17/72/461751772.db2.gz BCAYCCZZDTYMCR-DOTOQJQBSA-N 2 0 332.492 3.353 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647535669 461752795 /nfs/dbraw/zinc/75/27/95/461752795.db2.gz UGQLBAZOXNRWCE-OAHLLOKOSA-N 2 0 332.879 3.146 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)nnn1-c1cccc(Cl)c1 ZINC000643534303 461754013 /nfs/dbraw/zinc/75/40/13/461754013.db2.gz PYWCIYNZXVBMBO-WBMJQRKESA-N 2 0 345.878 3.022 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1F ZINC000643537140 461756557 /nfs/dbraw/zinc/75/65/57/461756557.db2.gz ZYKXGDILCNSFGZ-IINYFYTJSA-N 2 0 327.241 3.381 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)c(F)c1 ZINC000643537021 461757575 /nfs/dbraw/zinc/75/75/75/461757575.db2.gz YDMQNOFVGUEQCS-QMTHXVAHSA-N 2 0 327.241 3.381 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643546999 461759202 /nfs/dbraw/zinc/75/92/02/461759202.db2.gz YEFXGQWREBELMZ-WBVHZDCISA-N 2 0 348.487 3.046 20 0 EGADRP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643546078 461759219 /nfs/dbraw/zinc/75/92/19/461759219.db2.gz ICTMXSFJOHNANR-TZQQIIETSA-N 2 0 339.483 3.083 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000647544088 461760268 /nfs/dbraw/zinc/76/02/68/461760268.db2.gz WOASNDDQJNADEN-RTBURBONSA-N 2 0 338.499 3.299 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)c1OC ZINC000643548430 461761644 /nfs/dbraw/zinc/76/16/44/461761644.db2.gz PIJRCOBEVSSGDF-YOEHRIQHSA-N 2 0 332.488 3.208 20 0 EGADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC[NH+](C)CC1 ZINC000653617230 461764153 /nfs/dbraw/zinc/76/41/53/461764153.db2.gz MZZAHPYOWFXAJD-LIRRHRJNSA-N 2 0 344.503 3.087 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656534178 461776308 /nfs/dbraw/zinc/77/63/08/461776308.db2.gz GYYDKIJSEMODDX-HXUWFJFHSA-N 2 0 344.886 3.239 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000639210748 461805758 /nfs/dbraw/zinc/80/57/58/461805758.db2.gz JAFAYHOWMCNVFA-BXUZGUMPSA-N 2 0 344.286 3.394 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1)C1CCCC1 ZINC000647785559 461833155 /nfs/dbraw/zinc/83/31/55/461833155.db2.gz AYALWITYBMDBMX-IPMKNSEASA-N 2 0 341.499 3.293 20 0 EGADRP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647785859 461833453 /nfs/dbraw/zinc/83/34/53/461833453.db2.gz FSWXGWYYGRDYDL-VHDGCEQUSA-N 2 0 328.378 3.105 20 0 EGADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000647786558 461834815 /nfs/dbraw/zinc/83/48/15/461834815.db2.gz ROKXACKEIGMOTM-FGTMMUONSA-N 2 0 328.500 3.485 20 0 EGADRP COCCSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786664 461834880 /nfs/dbraw/zinc/83/48/80/461834880.db2.gz VAHBGRVMIMQKQE-LEUOFYLZSA-N 2 0 334.529 3.464 20 0 EGADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788084 461835291 /nfs/dbraw/zinc/83/52/91/461835291.db2.gz BZJFUESRTHLZPZ-IXDOHACOSA-N 2 0 342.405 3.243 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000647794211 461838065 /nfs/dbraw/zinc/83/80/65/461838065.db2.gz UNCDDEBXWGUHRP-SGCGGLILSA-N 3 0 341.543 3.265 20 0 EGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793313 461838599 /nfs/dbraw/zinc/83/85/99/461838599.db2.gz SYKFLSZKXLNQIR-IXDOHACOSA-N 2 0 342.405 3.243 20 0 EGADRP Cc1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540516 461841453 /nfs/dbraw/zinc/84/14/53/461841453.db2.gz RPQVCOOWAXVFEO-NRFANRHFSA-N 2 0 336.483 3.191 20 0 EGADRP Brc1ccc(/C=C\C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647798972 461842140 /nfs/dbraw/zinc/84/21/40/461842140.db2.gz ZWOCWPKQKNMUOJ-KOMPGUGBSA-N 2 0 335.289 3.440 20 0 EGADRP Oc1cccc(C[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CC[C@H](O)CC2)c1 ZINC000653767704 461847770 /nfs/dbraw/zinc/84/77/70/461847770.db2.gz HAHMUMKRMXUUII-MXVIHJGJSA-N 2 0 346.515 3.374 20 0 EGADRP COCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879572 461868508 /nfs/dbraw/zinc/86/85/08/461868508.db2.gz RJQQGJAIRRDAFK-KGLIPLIRSA-N 2 0 330.394 3.324 20 0 EGADRP COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647883481 461870573 /nfs/dbraw/zinc/87/05/73/461870573.db2.gz VYLCLQZYFKHIQQ-MSOLQXFVSA-N 2 0 332.488 3.100 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OCCC(C)C ZINC000666952324 461885375 /nfs/dbraw/zinc/88/53/75/461885375.db2.gz QSZMIBFVBALSEC-LJQANCHMSA-N 2 0 332.488 3.352 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953802 461886630 /nfs/dbraw/zinc/88/66/30/461886630.db2.gz HYWACPSXQVQOBG-QAPCUYQASA-N 2 0 329.488 3.259 20 0 EGADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656782414 461892399 /nfs/dbraw/zinc/89/23/99/461892399.db2.gz GJOBDKXHBPRFAJ-HNNXBMFYSA-N 2 0 330.501 3.350 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000650707607 461901863 /nfs/dbraw/zinc/90/18/63/461901863.db2.gz JGAFJUVIEZGDFX-TXWORJNHSA-N 2 0 336.426 3.196 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000650707355 461902415 /nfs/dbraw/zinc/90/24/15/461902415.db2.gz DHJMQMWYKPVMSL-YRGRVCCFSA-N 2 0 348.434 3.485 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997078 461904192 /nfs/dbraw/zinc/90/41/92/461904192.db2.gz WCPNAEOHXLVOHP-ZDUSSCGKSA-N 2 0 332.398 3.119 20 0 EGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717640 461909777 /nfs/dbraw/zinc/90/97/77/461909777.db2.gz IBGUEQLEJQKRQD-SFHVURJKSA-N 2 0 334.410 3.161 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647961635 461909804 /nfs/dbraw/zinc/90/98/04/461909804.db2.gz VNMHOBAPDVZUDJ-KRWDZBQOSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717612 461909913 /nfs/dbraw/zinc/90/99/13/461909913.db2.gz HEUHHGCCDDJFAH-HNAYVOBHSA-N 2 0 327.447 3.210 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(F)c1 ZINC000650717653 461910044 /nfs/dbraw/zinc/91/00/44/461910044.db2.gz INEKJPDXPOSTMR-UHFFFAOYSA-N 2 0 328.309 3.315 20 0 EGADRP Cc1nsc(C)c1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962224 461910509 /nfs/dbraw/zinc/91/05/09/461910509.db2.gz SDXXZDJLSOVDKQ-OKILXGFUSA-N 2 0 337.533 3.081 20 0 EGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965115 461910734 /nfs/dbraw/zinc/91/07/34/461910734.db2.gz HEPOCSUPUSGJFD-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660915 461911081 /nfs/dbraw/zinc/91/10/81/461911081.db2.gz BEDAUKHZTSHRAP-VXKWHMMOSA-N 2 0 338.495 3.161 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722273 461913732 /nfs/dbraw/zinc/91/37/32/461913732.db2.gz ONFCHNZSOKTERA-SXLOBPIMSA-N 2 0 332.488 3.336 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976563 461918515 /nfs/dbraw/zinc/91/85/15/461918515.db2.gz QDVXFRGERBTJDP-FHWLQOOXSA-N 2 0 343.515 3.342 20 0 EGADRP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cs1 ZINC000647976961 461918906 /nfs/dbraw/zinc/91/89/06/461918906.db2.gz WJHXPMHLIVCCTK-ZIAGYGMSSA-N 2 0 332.473 3.010 20 0 EGADRP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000667030334 461920107 /nfs/dbraw/zinc/92/01/07/461920107.db2.gz GBMGLYAMDIIPNV-OWSLCNJRSA-N 2 0 334.508 3.024 20 0 EGADRP COc1cccc(-c2nc(C[NH+]3CCC(C[NH+](C)C)CC3)co2)c1 ZINC000639454093 461930633 /nfs/dbraw/zinc/93/06/33/461930633.db2.gz VQOCFQTWESMUOH-UHFFFAOYSA-N 2 0 329.444 3.124 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000650764353 461942194 /nfs/dbraw/zinc/94/21/94/461942194.db2.gz WRCQMQGJYPYNFJ-ZDUSSCGKSA-N 2 0 347.894 3.269 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000657295005 462023751 /nfs/dbraw/zinc/02/37/51/462023751.db2.gz ZWZLINDOGBBRBU-SFHVURJKSA-N 2 0 334.504 3.312 20 0 EGADRP CCOc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000657338295 462056282 /nfs/dbraw/zinc/05/62/82/462056282.db2.gz UROZNTPFLXLYRX-UHFFFAOYSA-N 2 0 345.531 3.042 20 0 EGADRP c1ccc(-c2ncc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cn2)cc1 ZINC000639701818 462067730 /nfs/dbraw/zinc/06/77/30/462067730.db2.gz CGDMTAXUJHROLW-UHFFFAOYSA-N 2 0 345.450 3.251 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CCO1 ZINC000648413182 462107328 /nfs/dbraw/zinc/10/73/28/462107328.db2.gz DXGFPICZVAABLO-DEPWHIHDSA-N 2 0 346.515 3.343 20 0 EGADRP Cc1cccc2[nH]c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc21 ZINC000667501059 462115254 /nfs/dbraw/zinc/11/52/54/462115254.db2.gz LKQVXKNAJWTXHB-UHFFFAOYSA-N 2 0 327.472 3.021 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667502062 462116182 /nfs/dbraw/zinc/11/61/82/462116182.db2.gz SHLVXYSDMOBWJK-NRFANRHFSA-N 2 0 346.515 3.408 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000648453588 462125725 /nfs/dbraw/zinc/12/57/25/462125725.db2.gz PAOFHCQLUAIXSF-MOPGFXCFSA-N 2 0 332.488 3.208 20 0 EGADRP Cc1c(Br)cncc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000657488593 462154224 /nfs/dbraw/zinc/15/42/24/462154224.db2.gz SKPAVSCNAZSYSL-UHFFFAOYSA-N 2 0 326.282 3.117 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)C1 ZINC000657594566 462198061 /nfs/dbraw/zinc/19/80/61/462198061.db2.gz BRZUUEIUTPJNOE-FKBYEOEOSA-N 2 0 336.479 3.147 20 0 EGADRP CCOc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612229 462203828 /nfs/dbraw/zinc/20/38/28/462203828.db2.gz JEQOPSUCLWXXJC-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC000657813729 462280233 /nfs/dbraw/zinc/28/02/33/462280233.db2.gz YRBRIQVWKDLQJL-GCJKJVERSA-N 2 0 341.543 3.361 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667927964 462328838 /nfs/dbraw/zinc/32/88/38/462328838.db2.gz LTIZVWGKOZHDBS-KRWDZBQOSA-N 2 0 334.504 3.107 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C(C)(C)O1 ZINC000658166739 462415518 /nfs/dbraw/zinc/41/55/18/462415518.db2.gz OKSSBXRTQGMFCC-GOSISDBHSA-N 2 0 331.504 3.229 20 0 EGADRP CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000649211576 462440916 /nfs/dbraw/zinc/44/09/16/462440916.db2.gz VNNAPABVJZWOBW-IZBJGVDFSA-N 2 0 345.531 3.208 20 0 EGADRP OC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC1CC1 ZINC000658257299 462445858 /nfs/dbraw/zinc/44/58/58/462445858.db2.gz ZLDYAXYHIYVFIO-NCYKPQTJSA-N 2 0 328.500 3.180 20 0 EGADRP CO[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000658314284 462473580 /nfs/dbraw/zinc/47/35/80/462473580.db2.gz HRLGODUMRGTDPB-OXJNMPFZSA-N 2 0 334.504 3.483 20 0 EGADRP c1nnc([C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CCCCC2)[nH]1 ZINC000658352409 462486931 /nfs/dbraw/zinc/48/69/31/462486931.db2.gz GCTIWKUTJNJHML-GOSISDBHSA-N 2 0 331.508 3.138 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000649370746 462489990 /nfs/dbraw/zinc/48/99/90/462489990.db2.gz WNLRARPMYAXXCX-LJQANCHMSA-N 2 0 343.515 3.323 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000177884092 528720222 /nfs/dbraw/zinc/72/02/22/528720222.db2.gz ZTKJTOGUOKQDHY-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000178692112 528724772 /nfs/dbraw/zinc/72/47/72/528724772.db2.gz PLZJJPLLSZRSIT-ROUUACIJSA-N 2 0 333.520 3.010 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187765856 529144993 /nfs/dbraw/zinc/14/49/93/529144993.db2.gz HFQNRKRHNIXPJD-RTWAWAEBSA-N 2 0 329.532 3.114 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000338046323 535575620 /nfs/dbraw/zinc/57/56/20/535575620.db2.gz BTLOZXIECCOBLJ-MRXNPFEDSA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000338152957 535601760 /nfs/dbraw/zinc/60/17/60/535601760.db2.gz ZYBNTZCLEKDLLO-MSOLQXFVSA-N 2 0 345.531 3.379 20 0 EGADRP CCn1nccc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350552745 535868352 /nfs/dbraw/zinc/86/83/52/535868352.db2.gz FABVUMSYAFPERB-QUCCMNQESA-N 2 0 326.488 3.075 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000363922362 536033253 /nfs/dbraw/zinc/03/32/53/536033253.db2.gz FCVFFKLSLKXZKM-RTBURBONSA-N 2 0 326.488 3.298 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000073471654 546575084 /nfs/dbraw/zinc/57/50/84/546575084.db2.gz XRLXLMYKWXVLQD-UHFFFAOYSA-N 2 0 347.503 3.076 20 0 EGADRP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)n2)c1 ZINC000080959807 546602993 /nfs/dbraw/zinc/60/29/93/546602993.db2.gz ZPJWKMTZXUXZFT-CQSZACIVSA-N 2 0 325.391 3.114 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000152672276 546872879 /nfs/dbraw/zinc/87/28/79/546872879.db2.gz VGLMJJXNSQKTIH-CQSZACIVSA-N 2 0 337.895 3.297 20 0 EGADRP COc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC(F)F ZINC000153722019 546883222 /nfs/dbraw/zinc/88/32/22/546883222.db2.gz YBRWLQQLZBSWDH-CYBMUJFWSA-N 2 0 342.430 3.159 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000156776949 546914145 /nfs/dbraw/zinc/91/41/45/546914145.db2.gz JGTGWLHLZHWOJQ-JKSUJKDBSA-N 2 0 329.488 3.194 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cccc(F)c1 ZINC000187755523 547142116 /nfs/dbraw/zinc/14/21/16/547142116.db2.gz REUPFFVYYIXRFY-LEWJYISDSA-N 2 0 342.458 3.286 20 0 EGADRP C[C@@H]([NH2+]CC1(CO)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310119084 547461332 /nfs/dbraw/zinc/46/13/32/547461332.db2.gz HRKNMGGMVCGWFM-UYAOXDASSA-N 2 0 330.516 3.429 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000326976144 547478220 /nfs/dbraw/zinc/47/82/20/547478220.db2.gz USMNZFBMDWRZEK-LJQANCHMSA-N 2 0 340.515 3.161 20 0 EGADRP COCC1(C)CC[NH+](CC[C@@H](C)[NH+]2CCC(C)(COC)CC2)CC1 ZINC000358774151 547747455 /nfs/dbraw/zinc/74/74/55/547747455.db2.gz VNCZSBZNZFNBJJ-GOSISDBHSA-N 2 0 340.552 3.262 20 0 EGADRP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390529163 547827938 /nfs/dbraw/zinc/82/79/38/547827938.db2.gz KTWZJOFGZDNOJK-PLACYPQZSA-N 2 0 327.516 3.161 20 0 EGADRP [NH3+][C@H]1CCC[C@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000414922062 547861894 /nfs/dbraw/zinc/86/18/94/547861894.db2.gz GGMNBRGJFWUHJU-KBPBESRZSA-N 2 0 349.276 3.199 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000527223191 548030151 /nfs/dbraw/zinc/03/01/51/548030151.db2.gz QFULJANDIRTBIF-KLAILNCOSA-N 2 0 349.485 3.361 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000527223190 548030277 /nfs/dbraw/zinc/03/02/77/548030277.db2.gz QFULJANDIRTBIF-GTPINHCMSA-N 2 0 349.485 3.361 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000674334681 548726434 /nfs/dbraw/zinc/72/64/34/548726434.db2.gz AHAVPHCINWFUTC-UHFFFAOYSA-N 2 0 328.504 3.421 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000675492058 548928884 /nfs/dbraw/zinc/92/88/84/548928884.db2.gz RPYCEAFOFZIJJQ-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000675742428 548972036 /nfs/dbraw/zinc/97/20/36/548972036.db2.gz PLYVSHRFMHBQSY-QGZVFWFLSA-N 2 0 325.447 3.032 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000675775622 548978845 /nfs/dbraw/zinc/97/88/45/548978845.db2.gz HSGBUTQKDWIRSZ-CVEARBPZSA-N 2 0 335.923 3.486 20 0 EGADRP Cc1ccccc1C[N@H+]1CCCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000676085112 549035552 /nfs/dbraw/zinc/03/55/52/549035552.db2.gz IBJHFRBVFCZLOG-UHFFFAOYSA-N 2 0 329.532 3.235 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000678133464 549405486 /nfs/dbraw/zinc/40/54/86/549405486.db2.gz BERUFKGWAXZHKS-OAQYLSRUSA-N 2 0 340.467 3.201 20 0 EGADRP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678340502 549472985 /nfs/dbraw/zinc/47/29/85/549472985.db2.gz YYZSGGLQBVTERZ-HXUWFJFHSA-N 2 0 342.487 3.006 20 0 EGADRP CSc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000678497418 549508674 /nfs/dbraw/zinc/50/86/74/549508674.db2.gz FCPZUJOAUHLCFE-UHFFFAOYSA-N 2 0 331.485 3.034 20 0 EGADRP CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678733356 549550471 /nfs/dbraw/zinc/55/04/71/549550471.db2.gz IRPXYNIQOUPBLL-UYAOXDASSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678770461 549558239 /nfs/dbraw/zinc/55/82/39/549558239.db2.gz GLFWKAJLIZLISD-MMOPVJDHSA-N 2 0 327.516 3.068 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CC(C)(C)c3ccccc3)CC2)CC1 ZINC000678837898 549574962 /nfs/dbraw/zinc/57/49/62/549574962.db2.gz BJGBEQMAWPQXMQ-UHFFFAOYSA-N 2 0 343.559 3.455 20 0 EGADRP COC[C@H]1CCCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681084640 549952408 /nfs/dbraw/zinc/95/24/08/549952408.db2.gz SMMCVPHPTFVXHH-FQEVSTJZSA-N 2 0 346.515 3.410 20 0 EGADRP C[C@H]1SCC[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000682161353 550079385 /nfs/dbraw/zinc/07/93/85/550079385.db2.gz RHNWWYNWHKHKLC-CJNGLKHVSA-N 2 0 339.936 3.075 20 0 EGADRP C[C@H]1SCC[C@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000682161354 550079501 /nfs/dbraw/zinc/07/95/01/550079501.db2.gz RHNWWYNWHKHKLC-CZUORRHYSA-N 2 0 339.936 3.075 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCc1cnn(C)c1 ZINC000682533924 550112294 /nfs/dbraw/zinc/11/22/94/550112294.db2.gz NTLHOWDUWUHBMO-ROUUACIJSA-N 2 0 340.515 3.099 20 0 EGADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000682912782 550162399 /nfs/dbraw/zinc/16/23/99/550162399.db2.gz JZFYFVSXNBOJEY-RTBURBONSA-N 2 0 344.547 3.420 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(C(F)(F)F)s3)C2)CC1 ZINC000683202515 550203486 /nfs/dbraw/zinc/20/34/86/550203486.db2.gz RSOLXDPQCWOICR-LBPRGKRZSA-N 2 0 347.450 3.025 20 0 EGADRP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000683229448 550205802 /nfs/dbraw/zinc/20/58/02/550205802.db2.gz GCASSKGKKDOZJK-ORYQWCPZSA-N 2 0 348.506 3.219 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000683832320 550266968 /nfs/dbraw/zinc/26/69/68/550266968.db2.gz DGWLUFNQGXDPSE-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000732262786 575250039 /nfs/dbraw/zinc/25/00/39/575250039.db2.gz ZLAKKNIDEBAQFM-UHFFFAOYSA-N 2 0 345.531 3.233 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920977 1303194424 /nfs/dbraw/zinc/19/44/24/1303194424.db2.gz SHBSNUMUGPIWML-IRXDYDNUSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc4ccccc43)CC2)CC1 ZINC000051189718 1291667766 /nfs/dbraw/zinc/66/77/66/1291667766.db2.gz UCZXWOUZBFGNJK-UHFFFAOYSA-N 2 0 337.511 3.488 20 0 EGADRP CC(C)(C)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000051414938 1291676094 /nfs/dbraw/zinc/67/60/94/1291676094.db2.gz CRRWWDDMRCKKFE-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP C[C@]1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000827956652 1292411801 /nfs/dbraw/zinc/41/18/01/1292411801.db2.gz IMTIGDHDPNXAQQ-OAHLLOKOSA-N 2 0 335.319 3.147 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)c1 ZINC000077400344 1292462052 /nfs/dbraw/zinc/46/20/52/1292462052.db2.gz SUJXUJSMPSGVPL-UHFFFAOYSA-N 2 0 338.430 3.363 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000083114174 1292679871 /nfs/dbraw/zinc/67/98/71/1292679871.db2.gz USSCKKIITNWSMS-GOSISDBHSA-N 2 0 344.503 3.043 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000088703171 1292755162 /nfs/dbraw/zinc/75/51/62/1292755162.db2.gz QWBMYHTUQSQPHZ-GIVPXCGWSA-N 2 0 329.532 3.217 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(CC[NH+]4CCCC4)CC[C@@H]32)cc1 ZINC000089910011 1292781446 /nfs/dbraw/zinc/78/14/46/1292781446.db2.gz SNRCKPQJDSHCJM-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093507507 1292923911 /nfs/dbraw/zinc/92/39/11/1292923911.db2.gz UDFYGJNLHZTJQC-TZIWHRDSSA-N 2 0 344.499 3.162 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000105459068 1293040185 /nfs/dbraw/zinc/04/01/85/1293040185.db2.gz QERLBEWCHJSZTR-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP Cc1ncccc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462764 1293040189 /nfs/dbraw/zinc/04/01/89/1293040189.db2.gz XUTXQFSTHFUTJM-MRXNPFEDSA-N 2 0 342.462 3.132 20 0 EGADRP C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000106486047 1293051229 /nfs/dbraw/zinc/05/12/29/1293051229.db2.gz NHWUDWSSBJHYQQ-OAHLLOKOSA-N 2 0 347.890 3.326 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000109068644 1293087316 /nfs/dbraw/zinc/08/73/16/1293087316.db2.gz WGUZWUYPCYSXRL-KRWDZBQOSA-N 2 0 343.515 3.162 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000119782681 1293288028 /nfs/dbraw/zinc/28/80/28/1293288028.db2.gz SKINAMWEEQUXQQ-VQTJNVASSA-N 2 0 332.488 3.208 20 0 EGADRP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000120379169 1293318980 /nfs/dbraw/zinc/31/89/80/1293318980.db2.gz LJEDVVHJJVNQNR-DOTOQJQBSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000120944206 1293347433 /nfs/dbraw/zinc/34/74/33/1293347433.db2.gz LSKJAUUFVRBARV-AWEZNQCLSA-N 2 0 330.394 3.449 20 0 EGADRP CC(C)C[C@H](C[NH+](C)C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000121728802 1293386858 /nfs/dbraw/zinc/38/68/58/1293386858.db2.gz TXETUSHKZHZMRQ-OAQYLSRUSA-N 2 0 331.548 3.259 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803301 1293389542 /nfs/dbraw/zinc/38/95/42/1293389542.db2.gz JLJKQNUILPOBBB-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP CCc1noc(C2CCC([NH2+]CC3(C[NH+](C)C)CCCC3)CC2)n1 ZINC000129471774 1293625174 /nfs/dbraw/zinc/62/51/74/1293625174.db2.gz UPVLPDNQRRPQCG-UHFFFAOYSA-N 2 0 334.508 3.370 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000132952150 1293733466 /nfs/dbraw/zinc/73/34/66/1293733466.db2.gz VGLCBJSJBCKPJR-IRXDYDNUSA-N 2 0 332.488 3.237 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000136299297 1293813899 /nfs/dbraw/zinc/81/38/99/1293813899.db2.gz OKWSDLJOXUBFJI-IBGZPJMESA-N 2 0 340.471 3.017 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136581928 1293818563 /nfs/dbraw/zinc/81/85/63/1293818563.db2.gz BLXYUVBWPRYPCD-RTWAWAEBSA-N 2 0 346.515 3.331 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CCCCC[NH3+])c2ccccc2)CC1 ZINC000155483836 1294100460 /nfs/dbraw/zinc/10/04/60/1294100460.db2.gz RVCFVZVFTMPPTF-IBGZPJMESA-N 2 0 331.504 3.095 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000161475799 1294294205 /nfs/dbraw/zinc/29/42/05/1294294205.db2.gz PONQFZWKSWRJNS-BZNIZROVSA-N 2 0 331.287 3.347 20 0 EGADRP CC1(O)CC[NH+](CCCCCCCC[NH+]2CCC(C)(O)CC2)CC1 ZINC000177319078 1294663735 /nfs/dbraw/zinc/66/37/35/1294663735.db2.gz VGOAUKIBULESPD-UHFFFAOYSA-N 2 0 340.552 3.021 20 0 EGADRP Clc1ncccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961316 1295089541 /nfs/dbraw/zinc/08/95/41/1295089541.db2.gz DUJVEPSMFTVHJX-UHFFFAOYSA-N 2 0 337.895 3.059 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(C)OCCO2)cc1C[NH+]1CCCCC1 ZINC000183422254 1295118799 /nfs/dbraw/zinc/11/87/99/1295118799.db2.gz NDHQHRICYYMJCC-MRXNPFEDSA-N 2 0 348.487 3.095 20 0 EGADRP CC(=O)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185767756 1295284823 /nfs/dbraw/zinc/28/48/23/1295284823.db2.gz DHNSDLFEBGDRQZ-MAUKXSAKSA-N 2 0 330.472 3.355 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)ccc1OC ZINC000186796960 1295351732 /nfs/dbraw/zinc/35/17/32/1295351732.db2.gz LOUOADMXNXAPAZ-ATZDWAIDSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870907250 1296136204 /nfs/dbraw/zinc/13/62/04/1296136204.db2.gz JIFPUIKRXHFVNB-QRQLOZEOSA-N 2 0 335.536 3.007 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000870958966 1296154632 /nfs/dbraw/zinc/15/46/32/1296154632.db2.gz OLVCORWHIOUESN-FQEVSTJZSA-N 2 0 345.531 3.306 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000229187377 1296155689 /nfs/dbraw/zinc/15/56/89/1296155689.db2.gz RKEIKWRKWRTOKY-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000237207262 1296228123 /nfs/dbraw/zinc/22/81/23/1296228123.db2.gz IERGUBCJYUPWHZ-UHFFFAOYSA-N 2 0 347.503 3.281 20 0 EGADRP C[C@@H](CNCc1cnn(-c2ccc(Cl)cc2)c1)C[NH+]1CCCC1 ZINC000237424822 1296241673 /nfs/dbraw/zinc/24/16/73/1296241673.db2.gz YJHAUORNIPIFPV-HNNXBMFYSA-N 2 0 332.879 3.347 20 0 EGADRP CCCCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248182003 1296407935 /nfs/dbraw/zinc/40/79/35/1296407935.db2.gz WOJDUQOQIISWJO-YLJYHZDGSA-N 2 0 345.531 3.442 20 0 EGADRP Cc1noc(C)c1CN(C)C/C=C\CN(C)Cc1c(C)noc1C ZINC000255062367 1296493721 /nfs/dbraw/zinc/49/37/21/1296493721.db2.gz KRRNPSYRVKPOAA-FPLPWBNLSA-N 2 0 332.448 3.016 20 0 EGADRP Fc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC000261935234 1296609957 /nfs/dbraw/zinc/60/99/57/1296609957.db2.gz DDANLUJGBRCJCI-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000872085226 1296725717 /nfs/dbraw/zinc/72/57/17/1296725717.db2.gz NTACMUXPPUMYCS-PKOBYXMFSA-N 2 0 338.536 3.061 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]CCC2(C)C)cc1)C(C)C ZINC000872296942 1296903707 /nfs/dbraw/zinc/90/37/07/1296903707.db2.gz CBRNTFGRBAJQMH-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000309949614 1297080754 /nfs/dbraw/zinc/08/07/54/1297080754.db2.gz XNZWSUCJCTWJTH-IRXDYDNUSA-N 2 0 339.524 3.240 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000310877116 1297102095 /nfs/dbraw/zinc/10/20/95/1297102095.db2.gz HGKATPCYRWRQDW-WIYYLYMNSA-N 2 0 342.458 3.361 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000321615105 1297181435 /nfs/dbraw/zinc/18/14/35/1297181435.db2.gz SVBWFORHUBOEKQ-INIZCTEOSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000324898100 1297218459 /nfs/dbraw/zinc/21/84/59/1297218459.db2.gz VAXZIHKYIMWPNO-YOEHRIQHSA-N 2 0 349.500 3.052 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(CC[NH3+])cc1)c1ccccc1 ZINC000327272988 1297247076 /nfs/dbraw/zinc/24/70/76/1297247076.db2.gz SGUIYMBPMWGXIA-HXUWFJFHSA-N 2 0 339.483 3.001 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](C)C[C@H]2n2cncn2)CC1 ZINC000340464380 1297312607 /nfs/dbraw/zinc/31/26/07/1297312607.db2.gz OLCWHMVSMZDPPO-GUDVDZBRSA-N 2 0 333.524 3.110 20 0 EGADRP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccc(F)cc2)O1 ZINC000873205606 1297349589 /nfs/dbraw/zinc/34/95/89/1297349589.db2.gz PNEHJHWRDSODFX-UGSOOPFHSA-N 2 0 346.471 3.495 20 0 EGADRP Cn1nnc2cc(C[N@@H+]3CCC[C@H](C[C@@H]([NH3+])C4CCCC4)C3)ccc21 ZINC000873232002 1297371977 /nfs/dbraw/zinc/37/19/77/1297371977.db2.gz IWAFGSLSQCQKGA-CRAIPNDOSA-N 2 0 341.503 3.088 20 0 EGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCCCC34CCCC4)c2)nn1 ZINC000873245253 1297386675 /nfs/dbraw/zinc/38/66/75/1297386675.db2.gz YGYWYAVNAPCICK-LJQANCHMSA-N 2 0 339.487 3.319 20 0 EGADRP CCOc1cccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000873246540 1297387537 /nfs/dbraw/zinc/38/75/37/1297387537.db2.gz WMOLQJLRQBMEHB-OAHLLOKOSA-N 2 0 326.444 3.063 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000873259471 1297394721 /nfs/dbraw/zinc/39/47/21/1297394721.db2.gz FNJHYZONZOWSDS-LVQVYYBASA-N 2 0 349.906 3.486 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1OC ZINC000873261913 1297395846 /nfs/dbraw/zinc/39/58/46/1297395846.db2.gz TVCXMSLXSDKYRR-LFVTVUPYSA-N 2 0 332.488 3.063 20 0 EGADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290221 1297412962 /nfs/dbraw/zinc/41/29/62/1297412962.db2.gz BSHXFMRYFATTCX-CEXWTWQISA-N 2 0 332.463 3.210 20 0 EGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCCO2 ZINC000873292686 1297414396 /nfs/dbraw/zinc/41/43/96/1297414396.db2.gz UTVRYURLGAXBTB-HKUYNNGSSA-N 2 0 344.499 3.265 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1c1ccccc1 ZINC000873293601 1297415411 /nfs/dbraw/zinc/41/54/11/1297415411.db2.gz NMEOMXPJRMNPOH-GUDVDZBRSA-N 2 0 328.500 3.317 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c1 ZINC000873293298 1297415824 /nfs/dbraw/zinc/41/58/24/1297415824.db2.gz YVZTWIPRBPCCAW-VQTJNVASSA-N 2 0 328.500 3.064 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)CC(C)C ZINC000355456097 1297454745 /nfs/dbraw/zinc/45/47/45/1297454745.db2.gz MXSGNZLEMUJBDF-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000385541029 1297584798 /nfs/dbraw/zinc/58/47/98/1297584798.db2.gz UNYMPLJAYBCIGL-SFHVURJKSA-N 2 0 347.503 3.184 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000386011995 1297587223 /nfs/dbraw/zinc/58/72/23/1297587223.db2.gz VLKPQXCFWMIHPQ-LPHOPBHVSA-N 2 0 346.421 3.110 20 0 EGADRP COc1ccccc1C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000391807380 1297646097 /nfs/dbraw/zinc/64/60/97/1297646097.db2.gz DJINXFAIVNJCKY-INIZCTEOSA-N 2 0 325.456 3.280 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000391872008 1297647449 /nfs/dbraw/zinc/64/74/49/1297647449.db2.gz UVIFOYUFBVJKTR-OIISXLGYSA-N 2 0 342.405 3.155 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000397527723 1297701362 /nfs/dbraw/zinc/70/13/62/1297701362.db2.gz XJYUBGQZUCAPIB-VQTJNVASSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000398154089 1297715222 /nfs/dbraw/zinc/71/52/22/1297715222.db2.gz ZJSPUPMRGXZZLF-OPYAIIAOSA-N 2 0 329.532 3.217 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cccnc3CC2)[C@@H](C)C1 ZINC000421829261 1297793080 /nfs/dbraw/zinc/79/30/80/1297793080.db2.gz HHRSJCGXZJRSRZ-IHPCNDPISA-N 2 0 345.531 3.056 20 0 EGADRP O=C(NCCCCCCC[NH+]1CCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000874174995 1297810048 /nfs/dbraw/zinc/81/00/48/1297810048.db2.gz UGTOLFIJLUCILH-LJQANCHMSA-N 2 0 335.536 3.166 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCN([C@H]4CCC[NH2+]C4)CC3)CC2)cc1 ZINC000691917799 1298139646 /nfs/dbraw/zinc/13/96/46/1298139646.db2.gz NBYWOVKEXSNSKZ-FQEVSTJZSA-N 2 0 327.516 3.117 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000704046827 1298204324 /nfs/dbraw/zinc/20/43/24/1298204324.db2.gz WBDMXHYVGQIMEL-MDNKFWRPSA-N 2 0 343.515 3.063 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000704372615 1298206412 /nfs/dbraw/zinc/20/64/12/1298206412.db2.gz GHVKAGCBZICMHD-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000704372610 1298206931 /nfs/dbraw/zinc/20/69/31/1298206931.db2.gz GHVKAGCBZICMHD-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CCCCC[NH3+] ZINC000719967293 1298325550 /nfs/dbraw/zinc/32/55/50/1298325550.db2.gz FCTLMVRAWFUONK-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@H](C(=O)NCCCCCCC[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000746163583 1298546592 /nfs/dbraw/zinc/54/65/92/1298546592.db2.gz PNQCRUCFWGHGAJ-LJQANCHMSA-N 2 0 337.552 3.413 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(Cl)nc(Cl)c2)C1 ZINC000746674802 1298638588 /nfs/dbraw/zinc/63/85/88/1298638588.db2.gz JMFPRCMUXAZXSC-CQSZACIVSA-N 2 0 346.302 3.321 20 0 EGADRP CSC(C)(C)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000876693081 1298925430 /nfs/dbraw/zinc/92/54/30/1298925430.db2.gz PIISEJRMRHBNOQ-UHFFFAOYSA-N 2 0 349.588 3.268 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000876810776 1299005919 /nfs/dbraw/zinc/00/59/19/1299005919.db2.gz DLTPFSIZWGFSOA-SVFBPWRDSA-N 2 0 346.515 3.467 20 0 EGADRP CCOC(=O)N1CCC(C)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000876948477 1299083770 /nfs/dbraw/zinc/08/37/70/1299083770.db2.gz MSSWFOITEARXKT-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CC1([NH+]2CCCCC2)CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000877298883 1299241470 /nfs/dbraw/zinc/24/14/70/1299241470.db2.gz DUBIVYPMHGOXIO-UHFFFAOYSA-N 2 0 335.536 3.153 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1)C1CCCC1 ZINC000877445296 1299305475 /nfs/dbraw/zinc/30/54/75/1299305475.db2.gz SQJIXAVJCFKKQN-MGPUTAFESA-N 2 0 341.499 3.050 20 0 EGADRP COc1cc(OC)c(OC)cc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684953 1299477849 /nfs/dbraw/zinc/47/78/49/1299477849.db2.gz FNPDHYJWCHFTPE-UHFFFAOYSA-N 2 0 348.487 3.020 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(-n3ccnc3)cs1)CC2 ZINC000877684287 1299478063 /nfs/dbraw/zinc/47/80/63/1299478063.db2.gz KLHRSQOSYCNCMV-UHFFFAOYSA-N 2 0 330.501 3.242 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000877746121 1299523141 /nfs/dbraw/zinc/52/31/41/1299523141.db2.gz IIYUZIZLPVAVPW-UHFFFAOYSA-N 2 0 327.516 3.166 20 0 EGADRP CC(C)[C@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000877745842 1299523750 /nfs/dbraw/zinc/52/37/50/1299523750.db2.gz AQUFURALHPBWAQ-NRFANRHFSA-N 2 0 329.532 3.138 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877745967 1299524180 /nfs/dbraw/zinc/52/41/80/1299524180.db2.gz DKYMWMURONHHAZ-UHFFFAOYSA-N 2 0 335.923 3.169 20 0 EGADRP CCCc1cc(N2CC[NH+](CCCCO)CC2)c2ccccc2[nH+]1 ZINC000751892598 1299645662 /nfs/dbraw/zinc/64/56/62/1299645662.db2.gz IDHCEOSBCYDMPK-UHFFFAOYSA-N 2 0 327.472 3.082 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000756038662 1300430847 /nfs/dbraw/zinc/43/08/47/1300430847.db2.gz XUHUEOAYWGJITR-UHFFFAOYSA-N 2 0 336.520 3.353 20 0 EGADRP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000756098757 1300438535 /nfs/dbraw/zinc/43/85/35/1300438535.db2.gz ZPWQERRUISTXAQ-OAHLLOKOSA-N 2 0 346.475 3.003 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccn(-c3ccccc3F)n1)CC2 ZINC000879250045 1300453859 /nfs/dbraw/zinc/45/38/59/1300453859.db2.gz KXAMQMWKTQYUAI-UHFFFAOYSA-N 2 0 342.462 3.319 20 0 EGADRP c1cc(C[NH+]2CCC3(CC2)COCCO3)ccc1C[NH+]1CCCCC1 ZINC000880548321 1301156273 /nfs/dbraw/zinc/15/62/73/1301156273.db2.gz PIABUINJELOUJP-UHFFFAOYSA-N 2 0 344.499 3.054 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)C2([NH+](C)C)CCC2)c2ccccc2)CC1 ZINC000763030674 1301809095 /nfs/dbraw/zinc/80/90/95/1301809095.db2.gz RPLHNCLSNHXTBV-IBGZPJMESA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000763961455 1301990335 /nfs/dbraw/zinc/99/03/35/1301990335.db2.gz FRGDLGIZSMSCKZ-FPOVZHCZSA-N 2 0 330.516 3.131 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000882504271 1301994963 /nfs/dbraw/zinc/99/49/63/1301994963.db2.gz QAEREKHWZLYWCI-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000765257210 1302231307 /nfs/dbraw/zinc/23/13/07/1302231307.db2.gz XWIGEISEIQBETQ-ZWKOTPCHSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000765680526 1302305905 /nfs/dbraw/zinc/30/59/05/1302305905.db2.gz DNLWMNRTDRIVAN-PKOBYXMFSA-N 2 0 349.588 3.485 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000765750645 1302318036 /nfs/dbraw/zinc/31/80/36/1302318036.db2.gz CEVBREXAPUWFHJ-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP c1cc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000883462612 1302454145 /nfs/dbraw/zinc/45/41/45/1302454145.db2.gz VNQZAGLCKLGISP-IBGZPJMESA-N 2 0 328.500 3.361 20 0 EGADRP CC(C)[C@@H](CC[N@H+](C)CC[C@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000767413289 1302666262 /nfs/dbraw/zinc/66/62/62/1302666262.db2.gz ASIFTDUIYQPGNR-IAGOWNOFSA-N 2 0 341.540 3.342 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000884207216 1302771864 /nfs/dbraw/zinc/77/18/64/1302771864.db2.gz OXSUXOXXTKCPMW-SFHVURJKSA-N 2 0 349.544 3.116 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885937770 1303286825 /nfs/dbraw/zinc/28/68/25/1303286825.db2.gz JOMVPMHTEYLNFR-KZNAEPCWSA-N 2 0 338.536 3.061 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000886060126 1303341310 /nfs/dbraw/zinc/34/13/10/1303341310.db2.gz VBFWNNSMNMYVTI-KOXUSJRISA-N 2 0 340.442 3.195 20 0 EGADRP Clc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000886159853 1303380267 /nfs/dbraw/zinc/38/02/67/1303380267.db2.gz CVSWQARKKWCIFE-UHFFFAOYSA-N 2 0 330.863 3.132 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000886522101 1303485705 /nfs/dbraw/zinc/48/57/05/1303485705.db2.gz CFEDFELIDLESKM-UHFFFAOYSA-N 2 0 344.425 3.332 20 0 EGADRP COc1ccccc1[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886547033 1303494870 /nfs/dbraw/zinc/49/48/70/1303494870.db2.gz DETYXWSUBNPTFF-KGXSXCIVSA-N 2 0 332.488 3.115 20 0 EGADRP C[C@H](COCc1ccccc1)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000886839734 1303616650 /nfs/dbraw/zinc/61/66/50/1303616650.db2.gz LFSHWWXCQOVHPV-WMQCIHAUSA-N 2 0 346.515 3.058 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775414991 1303960656 /nfs/dbraw/zinc/96/06/56/1303960656.db2.gz POCNMCVMJZHYLF-NCOADZHNSA-N 2 0 328.591 3.324 20 0 EGADRP CC(C)Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000776014674 1304079538 /nfs/dbraw/zinc/07/95/38/1304079538.db2.gz BBUJSYGSYUCGPI-NHCUHLMSSA-N 2 0 330.516 3.383 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000779064104 1304524672 /nfs/dbraw/zinc/52/46/72/1304524672.db2.gz CJAYWTOKVWMKGK-HZPDHXFCSA-N 2 0 341.540 3.342 20 0 EGADRP ClC1(Cl)C[C@@H]1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780331420 1304677823 /nfs/dbraw/zinc/67/78/23/1304677823.db2.gz UCJBCLYJPLEMOL-OAHLLOKOSA-N 2 0 335.319 3.005 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000781421363 1304825567 /nfs/dbraw/zinc/82/55/67/1304825567.db2.gz QDDWNPNKHYJOCT-IYWMVGAKSA-N 2 0 340.467 3.203 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000782185499 1304927386 /nfs/dbraw/zinc/92/73/86/1304927386.db2.gz XRTUKEFUOLTOEX-WIYYLYMNSA-N 2 0 329.532 3.313 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(Cc3cn(C)nc3C3CC3)C2)CC1 ZINC000891823638 1305179232 /nfs/dbraw/zinc/17/92/32/1305179232.db2.gz WTQLSEGLOGOKMW-KRWDZBQOSA-N 2 0 330.520 3.241 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC000891930457 1305212145 /nfs/dbraw/zinc/21/21/45/1305212145.db2.gz WQIONKHRLMUZNF-KRWDZBQOSA-N 2 0 340.414 3.003 20 0 EGADRP CCn1cc(C[N@H+](CC)CC2CCN(c3ccccn3)CC2)c(C)n1 ZINC000892095183 1305248411 /nfs/dbraw/zinc/24/84/11/1305248411.db2.gz MCIAIPFAQLETBP-UHFFFAOYSA-N 2 0 341.503 3.345 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000893226995 1305771313 /nfs/dbraw/zinc/77/13/13/1305771313.db2.gz VOMRONUMFCCSSW-GHTZIAJQSA-N 3 0 329.532 3.219 20 0 EGADRP C[N@H+](CCC[NH+]1CCCCC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787992580 1305841241 /nfs/dbraw/zinc/84/12/41/1305841241.db2.gz HJKBSDKUQQCOMF-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000893368381 1305851066 /nfs/dbraw/zinc/85/10/66/1305851066.db2.gz WIXSAJVRFGRTAM-LJQANCHMSA-N 2 0 333.520 3.123 20 0 EGADRP CN(C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000893647673 1306005554 /nfs/dbraw/zinc/00/55/54/1306005554.db2.gz WVONBDUUESTONA-QGZVFWFLSA-N 2 0 343.437 3.240 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788816568 1306022572 /nfs/dbraw/zinc/02/25/72/1306022572.db2.gz SYRZDKZSSTZKMT-UZLBHIALSA-N 2 0 325.456 3.350 20 0 EGADRP FC(F)(F)Cc1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000894067558 1306199364 /nfs/dbraw/zinc/19/93/64/1306199364.db2.gz MQRAVHFXGLGFQF-UHFFFAOYSA-N 2 0 333.423 3.212 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894189910 1306267687 /nfs/dbraw/zinc/26/76/87/1306267687.db2.gz HPBCBZWBNHCRCG-UHFFFAOYSA-N 2 0 339.483 3.275 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(C)cc2c1CNC[C@H]1CCC[N@H+](C)C1 ZINC000894253645 1306304072 /nfs/dbraw/zinc/30/40/72/1306304072.db2.gz FWYGXBVWMMCLKU-OAHLLOKOSA-N 2 0 343.471 3.084 20 0 EGADRP CC(C)(C)[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364158 1306308128 /nfs/dbraw/zinc/30/81/28/1306308128.db2.gz FAZCNVVRULTQOV-OXQOHEQNSA-N 2 0 349.519 3.009 20 0 EGADRP Cc1ncoc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000894848661 1309098301 /nfs/dbraw/zinc/09/83/01/1309098301.db2.gz ABRJZPUMRDFTMM-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1)CC1CC1 ZINC000792267752 1309152929 /nfs/dbraw/zinc/15/29/29/1309152929.db2.gz JEFDOTISMDDKPA-IBGZPJMESA-N 2 0 348.531 3.306 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C)c(Cl)c1 ZINC000895297178 1309274983 /nfs/dbraw/zinc/27/49/83/1309274983.db2.gz VBUDFLOLTOTRRR-KBPBESRZSA-N 2 0 325.884 3.295 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cc(C)nn2C)ccc1OC ZINC000793561625 1309405015 /nfs/dbraw/zinc/40/50/15/1309405015.db2.gz QXQWRLWYSTXLBQ-MRXNPFEDSA-N 2 0 344.503 3.430 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000895767670 1309510208 /nfs/dbraw/zinc/51/02/08/1309510208.db2.gz PIFQXHRAYHPKKG-UHFFFAOYSA-N 3 0 329.532 3.220 20 0 EGADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000895821605 1309536193 /nfs/dbraw/zinc/53/61/93/1309536193.db2.gz FNYKKXOOHITFOJ-IBGZPJMESA-N 2 0 327.516 3.463 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177573 1310499722 /nfs/dbraw/zinc/49/97/22/1310499722.db2.gz VKYXTPPFPQUAEP-UHFFFAOYSA-N 2 0 332.488 3.272 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000898391660 1310706082 /nfs/dbraw/zinc/70/60/82/1310706082.db2.gz JPKHBSOCTFJSKO-PSMQTCRGSA-N 2 0 328.500 3.277 20 0 EGADRP Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000800898231 1310830834 /nfs/dbraw/zinc/83/08/34/1310830834.db2.gz UJKZFNHIMDJEBC-NRFANRHFSA-N 2 0 342.483 3.067 20 0 EGADRP c1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1C[NH+]1CCCCC1 ZINC000839466450 1320925925 /nfs/dbraw/zinc/92/59/25/1320925925.db2.gz XZCKDHJZFFPHPQ-UHFFFAOYSA-N 2 0 330.472 3.011 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018938707 1316981016 /nfs/dbraw/zinc/98/10/16/1316981016.db2.gz ZCRBVMGDEVHRTG-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018967627 1316987806 /nfs/dbraw/zinc/98/78/06/1316987806.db2.gz HEPGKDPACFIXQD-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018990354 1316996246 /nfs/dbraw/zinc/99/62/46/1316996246.db2.gz HVYGEQQDBUSBFD-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019068613 1317032279 /nfs/dbraw/zinc/03/22/79/1317032279.db2.gz BREGQFOODSUTOI-SFHVURJKSA-N 2 0 349.563 3.410 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019189473 1317093011 /nfs/dbraw/zinc/09/30/11/1317093011.db2.gz MZZYWPKMUPSOGJ-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CC(C)C2)C1 ZINC000957117914 1317198571 /nfs/dbraw/zinc/19/85/71/1317198571.db2.gz MDHPYPZADBDHHU-QLOJAFMTSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019468017 1317263087 /nfs/dbraw/zinc/26/30/87/1317263087.db2.gz CEQKMTBNKQYJFC-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929771180 1328695050 /nfs/dbraw/zinc/69/50/50/1328695050.db2.gz LRGRCAVXCUJGID-KBWCOIMZSA-N 2 0 346.515 3.167 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)CC1 ZINC000957550044 1317446361 /nfs/dbraw/zinc/44/63/61/1317446361.db2.gz GXQSASYOKQXZFV-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560193 1317457840 /nfs/dbraw/zinc/45/78/40/1317457840.db2.gz TZEOZKZYBZAUGR-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568562 1317466534 /nfs/dbraw/zinc/46/65/34/1317466534.db2.gz LANGSLWCSZOUFA-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957568899 1317467779 /nfs/dbraw/zinc/46/77/79/1317467779.db2.gz SDSXUFSNBCLANB-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP CCNc1ccccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000902078418 1317517651 /nfs/dbraw/zinc/51/76/51/1317517651.db2.gz LIAGCNLCUOPXJS-UHFFFAOYSA-N 2 0 327.472 3.349 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020143777 1317559622 /nfs/dbraw/zinc/55/96/22/1317559622.db2.gz DXEJZOFXVPRVCL-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000902358556 1317568507 /nfs/dbraw/zinc/56/85/07/1317568507.db2.gz CWGDDONLOFSLEL-HXUWFJFHSA-N 2 0 345.531 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020213919 1317596325 /nfs/dbraw/zinc/59/63/25/1317596325.db2.gz AQYPZTCXNVGLOD-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP COC(=O)c1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000902976301 1317635331 /nfs/dbraw/zinc/63/53/31/1317635331.db2.gz ODFASKFDOFTPOT-OAHLLOKOSA-N 2 0 330.472 3.307 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1)[NH+]1CCCC1 ZINC000957782914 1317644669 /nfs/dbraw/zinc/64/46/69/1317644669.db2.gz YPIPXDHLHXEMLK-SOAGJPPSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C2 ZINC000903116060 1317655938 /nfs/dbraw/zinc/65/59/38/1317655938.db2.gz FKDRNVYJLYGZLY-RNEPCJONSA-N 2 0 338.442 3.095 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]1O)CCC2 ZINC000903115742 1317656088 /nfs/dbraw/zinc/65/60/88/1317656088.db2.gz OMEYMYJIIACEQL-YXIAPDDASA-N 2 0 342.527 3.442 20 0 EGADRP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)s1 ZINC000903119570 1317656783 /nfs/dbraw/zinc/65/67/83/1317656783.db2.gz TWPVPYQIKJYRTR-LDFOPSEGSA-N 2 0 336.545 3.495 20 0 EGADRP FC(F)c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903507221 1317706484 /nfs/dbraw/zinc/70/64/84/1317706484.db2.gz RVJLNLZAGGDCOD-HDICACEKSA-N 2 0 335.442 3.025 20 0 EGADRP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717863 1317724264 /nfs/dbraw/zinc/72/42/64/1317724264.db2.gz FDLWENZKMUFDEY-MRXNPFEDSA-N 2 0 342.405 3.296 20 0 EGADRP Fc1ccc([C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CCC2)cc1 ZINC000903733113 1317727548 /nfs/dbraw/zinc/72/75/48/1317727548.db2.gz JVWJQFWIHOELTP-RTBURBONSA-N 2 0 332.463 3.415 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)O1 ZINC000903768965 1317730905 /nfs/dbraw/zinc/73/09/05/1317730905.db2.gz WDENGSGMSVNNCR-JYJNAYRXSA-N 2 0 334.426 3.198 20 0 EGADRP C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786203 1317734075 /nfs/dbraw/zinc/73/40/75/1317734075.db2.gz GFSMSRLTOXWFEB-HOJAQTOUSA-N 2 0 328.500 3.413 20 0 EGADRP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789208 1317734272 /nfs/dbraw/zinc/73/42/72/1317734272.db2.gz UUTAKZKBQFYFHF-WTXIUTQJSA-N 2 0 346.437 3.341 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000903792734 1317735300 /nfs/dbraw/zinc/73/53/00/1317735300.db2.gz HZNAJHLGTZANHS-IBGZPJMESA-N 2 0 328.500 3.471 20 0 EGADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899094 1317745274 /nfs/dbraw/zinc/74/52/74/1317745274.db2.gz RKWHVORILIZNBZ-CTNGQTDRSA-N 2 0 342.531 3.107 20 0 EGADRP [NH3+][C@@H](C[NH2+]CC1(c2cccc(Br)c2)CC1)CC(F)F ZINC000903925662 1317750299 /nfs/dbraw/zinc/75/02/99/1317750299.db2.gz PHTVRRGVNKFUBJ-GFCCVEGCSA-N 2 0 333.220 3.053 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000903939002 1317751709 /nfs/dbraw/zinc/75/17/09/1317751709.db2.gz AXLDTCAYWZLUQZ-UHFFFAOYSA-N 2 0 326.366 3.313 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)c1 ZINC001020591553 1317792551 /nfs/dbraw/zinc/79/25/51/1317792551.db2.gz QVUVDMUJYCVFGF-WDSOQIARSA-N 2 0 343.515 3.025 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405499 1317843060 /nfs/dbraw/zinc/84/30/60/1317843060.db2.gz MCRLQOJNQOCZEM-OAHLLOKOSA-N 2 0 332.879 3.313 20 0 EGADRP CNc1ccc(C)cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000904438284 1317846894 /nfs/dbraw/zinc/84/68/94/1317846894.db2.gz ZBMQGQICPMQEGF-UHFFFAOYSA-N 2 0 338.499 3.434 20 0 EGADRP CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000958792035 1317848596 /nfs/dbraw/zinc/84/85/96/1317848596.db2.gz YIBAUQZWJQBKTC-FQEVSTJZSA-N 2 0 348.450 3.072 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001020673744 1317850011 /nfs/dbraw/zinc/85/00/11/1317850011.db2.gz OKSQDTHUXMHVEW-WDSOQIARSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001020673743 1317850488 /nfs/dbraw/zinc/85/04/88/1317850488.db2.gz OKSQDTHUXMHVEW-BHIYHBOVSA-N 2 0 347.547 3.068 20 0 EGADRP Cn1cnc2cc(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)ccc21 ZINC000904458639 1317851109 /nfs/dbraw/zinc/85/11/09/1317851109.db2.gz DFSIPJANOWQFTK-UHFFFAOYSA-N 2 0 334.467 3.066 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020675797 1317852530 /nfs/dbraw/zinc/85/25/30/1317852530.db2.gz GGTMVVKUVBHWHB-FHWLQOOXSA-N 2 0 347.547 3.066 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001020679677 1317857891 /nfs/dbraw/zinc/85/78/91/1317857891.db2.gz WYYROWAKHWBEGG-VDGAXYAQSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)([NH3+])c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000904604323 1317868828 /nfs/dbraw/zinc/86/88/28/1317868828.db2.gz PRYFUYGSKUYLPN-INIZCTEOSA-N 2 0 344.503 3.124 20 0 EGADRP Cc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH3+])[NH+]2CCCC2)o1 ZINC000904659025 1317877028 /nfs/dbraw/zinc/87/70/28/1317877028.db2.gz OBFVKYKMHWFVDB-KRWDZBQOSA-N 2 0 342.443 3.005 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)Nc2ccccc2C[NH3+])[NH+]2CCCC2)o1 ZINC000904659030 1317877725 /nfs/dbraw/zinc/87/77/25/1317877725.db2.gz OBFVKYKMHWFVDB-QGZVFWFLSA-N 2 0 342.443 3.005 20 0 EGADRP CN(C)[C@@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccccc1Cl ZINC000904663895 1317878278 /nfs/dbraw/zinc/87/82/78/1317878278.db2.gz ALVKLCOYUCLZFU-KRWDZBQOSA-N 2 0 346.862 3.223 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904667295 1317879635 /nfs/dbraw/zinc/87/96/35/1317879635.db2.gz VVGPNFXJWUKQRZ-GASCZTMLSA-N 2 0 332.492 3.023 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262814 1317989453 /nfs/dbraw/zinc/98/94/53/1317989453.db2.gz XWKQWKHTNDGINT-XKGZKEIXSA-N 2 0 341.499 3.481 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020907144 1317992426 /nfs/dbraw/zinc/99/24/26/1317992426.db2.gz TZDODFIZAFAIQW-VAMGGRTRSA-N 2 0 347.547 3.378 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001021089381 1318077616 /nfs/dbraw/zinc/07/76/16/1318077616.db2.gz BTEQBEFHOZNBRA-CAMMJAKZSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000906885818 1318160495 /nfs/dbraw/zinc/16/04/95/1318160495.db2.gz PDQYSMNHHKIKNX-UHFFFAOYSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907283764 1318207334 /nfs/dbraw/zinc/20/73/34/1318207334.db2.gz HVFWTLQITLEEKJ-SJORKVTESA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001021434993 1318248238 /nfs/dbraw/zinc/24/82/38/1318248238.db2.gz QTVGRGNURUWLGU-XVLXNVKGSA-N 2 0 335.536 3.163 20 0 EGADRP CN(C)Cc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1Cl ZINC000907907338 1318278614 /nfs/dbraw/zinc/27/86/14/1318278614.db2.gz BKNHWWNFHZCCAD-DOTOQJQBSA-N 2 0 335.879 3.357 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960062576 1318337374 /nfs/dbraw/zinc/33/73/74/1318337374.db2.gz YGGKVYIRXJHPTF-IBGZPJMESA-N 2 0 348.450 3.119 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000960110518 1318361116 /nfs/dbraw/zinc/36/11/16/1318361116.db2.gz SEPOHYKRIKOEFN-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000960110519 1318361812 /nfs/dbraw/zinc/36/18/12/1318361812.db2.gz SEPOHYKRIKOEFN-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1C[C@H](CCNc2cc[nH+]c(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000858457916 1328767542 /nfs/dbraw/zinc/76/75/42/1328767542.db2.gz VZLAZWODUATTOB-AEFFLSMTSA-N 2 0 325.456 3.287 20 0 EGADRP CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000910270448 1318592127 /nfs/dbraw/zinc/59/21/27/1318592127.db2.gz MUBYBERSXPZZSB-GOSISDBHSA-N 2 0 343.515 3.229 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022165869 1318825953 /nfs/dbraw/zinc/82/59/53/1318825953.db2.gz FTMNFUIMUMXHLJ-CEXWTWQISA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022349464 1318902212 /nfs/dbraw/zinc/90/22/12/1318902212.db2.gz AILJBNSEFZGUSD-HSALFYBXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000960835650 1318966296 /nfs/dbraw/zinc/96/62/96/1318966296.db2.gz RHCAQXNTEPEIHN-MOPGFXCFSA-N 2 0 335.536 3.115 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1C)[NH+](C)C ZINC000960864167 1319007611 /nfs/dbraw/zinc/00/76/11/1319007611.db2.gz FTXSNRWUJFDQSH-UXHICEINSA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC000961029982 1319154105 /nfs/dbraw/zinc/15/41/05/1319154105.db2.gz ANNAWPDKJUDLLD-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961030325 1319154337 /nfs/dbraw/zinc/15/43/37/1319154337.db2.gz UPGHDDMUCXPVMZ-RTBURBONSA-N 2 0 343.515 3.075 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC000961031723 1319156313 /nfs/dbraw/zinc/15/63/13/1319156313.db2.gz NRYDRTKOYCFCFE-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000961034585 1319159144 /nfs/dbraw/zinc/15/91/44/1319159144.db2.gz NWXLCIRQWAEDKJ-ICSRJNTNSA-N 2 0 343.515 3.075 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022975518 1319198398 /nfs/dbraw/zinc/19/83/98/1319198398.db2.gz NPAKPOFWZYTJPX-VNTMZGSJSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C)C1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001023089788 1319257376 /nfs/dbraw/zinc/25/73/76/1319257376.db2.gz DYBARIIKNCXMHS-YHFFBGSDSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290970 1319449884 /nfs/dbraw/zinc/44/98/84/1319449884.db2.gz FJNKHDAMSZDJEE-PMACEKPBSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1cccc(F)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817898026 1319454539 /nfs/dbraw/zinc/45/45/39/1319454539.db2.gz YTDJOFUYQJGUQI-AZUAARDMSA-N 2 0 326.415 3.480 20 0 EGADRP Clc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000817902285 1319456980 /nfs/dbraw/zinc/45/69/80/1319456980.db2.gz MHQLPWUBHZTBJM-LPHOPBHVSA-N 2 0 343.858 3.123 20 0 EGADRP CCC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@H](O)c1ccccc1 ZINC000817927108 1319462611 /nfs/dbraw/zinc/46/26/11/1319462611.db2.gz FYEROWWIZNGYIF-UIAACRFSSA-N 2 0 327.472 3.402 20 0 EGADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817943924 1319472093 /nfs/dbraw/zinc/47/20/93/1319472093.db2.gz SNZIAADRZWJVKU-QGZVFWFLSA-N 3 0 333.520 3.331 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)NC[C@H]2CCCC[NH2+]2)ccc1OC ZINC000817948592 1319473148 /nfs/dbraw/zinc/47/31/48/1319473148.db2.gz BWCIEUKAPQUFLZ-QFBILLFUSA-N 2 0 333.520 3.330 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947686 1319473213 /nfs/dbraw/zinc/47/32/13/1319473213.db2.gz FROLRHBXDPTILS-AWEZNQCLSA-N 2 0 341.455 3.006 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000817947669 1319473528 /nfs/dbraw/zinc/47/35/28/1319473528.db2.gz FFGYZZLJNPJFQC-MRXNPFEDSA-N 2 0 337.467 3.165 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000817968000 1319480781 /nfs/dbraw/zinc/48/07/81/1319480781.db2.gz FQBASALRHBFNAL-QFBILLFUSA-N 3 0 333.520 3.330 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000817969888 1319481097 /nfs/dbraw/zinc/48/10/97/1319481097.db2.gz HKUSQJFMTUJCTE-SNRMKQJTSA-N 3 0 333.520 3.458 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(N2CCCC2=O)cc1 ZINC000817968501 1319481306 /nfs/dbraw/zinc/48/13/06/1319481306.db2.gz KKCGZBZZTYIUCZ-HNNXBMFYSA-N 2 0 335.451 3.267 20 0 EGADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817974655 1319482553 /nfs/dbraw/zinc/48/25/53/1319482553.db2.gz NEHRHSLYDPGZQE-GOSISDBHSA-N 2 0 332.488 3.069 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023402921 1319510883 /nfs/dbraw/zinc/51/08/83/1319510883.db2.gz WPVPUZKZQQPBPJ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(NC[C@H]1CCC[N@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001023414502 1319518212 /nfs/dbraw/zinc/51/82/12/1319518212.db2.gz UWPSSTVQBTXULO-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC000961381971 1319538304 /nfs/dbraw/zinc/53/83/04/1319538304.db2.gz DSRYDQIEPQLEHY-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000818959423 1319590838 /nfs/dbraw/zinc/59/08/38/1319590838.db2.gz JRUIRYGEZYBYLY-KSSFIOAISA-N 2 0 326.431 3.100 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000818959307 1319591041 /nfs/dbraw/zinc/59/10/41/1319591041.db2.gz HWRLTKRJQDCZEW-KSSFIOAISA-N 2 0 326.431 3.242 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818979892 1319602436 /nfs/dbraw/zinc/60/24/36/1319602436.db2.gz CWKFNAWCDKELBB-CJNGLKHVSA-N 2 0 330.394 3.060 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000819011439 1319612744 /nfs/dbraw/zinc/61/27/44/1319612744.db2.gz PRRPSAUCDHOSQJ-IBGZPJMESA-N 2 0 348.874 3.104 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1F ZINC000819015562 1319613955 /nfs/dbraw/zinc/61/39/55/1319613955.db2.gz KBZPLMFFLYYVOJ-NQIIRXRSSA-N 2 0 342.458 3.013 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(F)c1 ZINC000819015573 1319614444 /nfs/dbraw/zinc/61/44/44/1319614444.db2.gz KHUCDPGSOPXRGG-RXVVDRJESA-N 2 0 342.458 3.013 20 0 EGADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)c1c(F)cccc1F ZINC000819142133 1319647629 /nfs/dbraw/zinc/64/76/29/1319647629.db2.gz NCSMOCWSYMHTGM-JTTJXQCZSA-N 2 0 338.442 3.385 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819152101 1319648975 /nfs/dbraw/zinc/64/89/75/1319648975.db2.gz LLKJOXLGBJWKHK-RHSMWYFYSA-N 2 0 344.421 3.306 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819151669 1319649887 /nfs/dbraw/zinc/64/98/87/1319649887.db2.gz DKHOMGKRCVUVOD-CXAGYDPISA-N 2 0 328.859 3.080 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819265661 1319684256 /nfs/dbraw/zinc/68/42/56/1319684256.db2.gz ATDMGBNPSPCJPS-QGZVFWFLSA-N 2 0 342.405 3.203 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632255 1319753220 /nfs/dbraw/zinc/75/32/20/1319753220.db2.gz IDTKPZURVXEGAS-OALUTQOASA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]([NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC000962083209 1319821849 /nfs/dbraw/zinc/82/18/49/1319821849.db2.gz JDODXFAWONPFCT-MDCZIUGASA-N 2 0 348.450 3.194 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000930451311 1328858843 /nfs/dbraw/zinc/85/88/43/1328858843.db2.gz OCCCCHJXAKAMDQ-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761518 1319908501 /nfs/dbraw/zinc/90/85/01/1319908501.db2.gz BPPXTUGPTDCRHC-PKOBYXMFSA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763213 1319910792 /nfs/dbraw/zinc/91/07/92/1319910792.db2.gz FENYTWNDQPKLPN-ROUUACIJSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962385573 1319945585 /nfs/dbraw/zinc/94/55/85/1319945585.db2.gz QXOMMJLONKENMU-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP OCCC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000820814378 1319959379 /nfs/dbraw/zinc/95/93/79/1319959379.db2.gz JIWSEJHBQQBLJS-UYAOXDASSA-N 2 0 331.504 3.219 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000823247510 1320165116 /nfs/dbraw/zinc/16/51/16/1320165116.db2.gz GOWYSACYEQOKFM-OAHLLOKOSA-N 2 0 348.362 3.062 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000825326020 1320327345 /nfs/dbraw/zinc/32/73/45/1320327345.db2.gz KWMQWWODMIAVAU-WDSOQIARSA-N 2 0 334.504 3.105 20 0 EGADRP CCCOc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC ZINC000841032119 1321204156 /nfs/dbraw/zinc/20/41/56/1321204156.db2.gz MAYYXLCWDVPLAZ-UHFFFAOYSA-N 2 0 328.456 3.275 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(Br)cc2F)cc1 ZINC000841032818 1321204521 /nfs/dbraw/zinc/20/45/21/1321204521.db2.gz ZCHZURNLSDLZOA-UHFFFAOYSA-N 2 0 337.236 3.379 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)cc1 ZINC000841032101 1321204680 /nfs/dbraw/zinc/20/46/80/1321204680.db2.gz KRZYMZMKUPUZEP-UHFFFAOYSA-N 2 0 326.469 3.064 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000841084109 1321216189 /nfs/dbraw/zinc/21/61/89/1321216189.db2.gz GISHKJBBIFVDNV-IRXDYDNUSA-N 2 0 346.906 3.419 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@@]4(C)CC[NH2+]C4)n3)cc2)CC1 ZINC000843200973 1321486930 /nfs/dbraw/zinc/48/69/30/1321486930.db2.gz UQBVGJYJYVDWBP-FQEVSTJZSA-N 2 0 340.471 3.220 20 0 EGADRP Fc1cc(Br)ccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843340484 1321502217 /nfs/dbraw/zinc/50/22/17/1321502217.db2.gz MZOUYEVYAYLYJL-UMVBOHGHSA-N 2 0 341.268 3.108 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000843340847 1321502228 /nfs/dbraw/zinc/50/22/28/1321502228.db2.gz FYQDEAZAZYFMDI-KRWDZBQOSA-N 2 0 333.476 3.149 20 0 EGADRP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843353787 1321504913 /nfs/dbraw/zinc/50/49/13/1321504913.db2.gz JLQBZYZOOAOODG-DZIBYMRMSA-N 2 0 345.531 3.264 20 0 EGADRP C[NH+](C)C1CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000844281460 1321584803 /nfs/dbraw/zinc/58/48/03/1321584803.db2.gz FILOCXIJIDRWDO-UHFFFAOYSA-N 2 0 327.513 3.098 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C(=O)CC23CCCC3)CC1)CC1CC1 ZINC000844696554 1321637919 /nfs/dbraw/zinc/63/79/19/1321637919.db2.gz BLWPQVJNCJBKFL-UHFFFAOYSA-N 2 0 347.547 3.323 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cncc3ccccc32)C1 ZINC000844910815 1321657106 /nfs/dbraw/zinc/65/71/06/1321657106.db2.gz JTGINSDLDABVRF-HOJAQTOUSA-N 2 0 325.456 3.096 20 0 EGADRP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846221053 1321777431 /nfs/dbraw/zinc/77/74/31/1321777431.db2.gz GCHXWNYRYWAIPO-OAHLLOKOSA-N 2 0 325.447 3.163 20 0 EGADRP COc1ccc(OC)c(NC(=[NH2+])NCC2([NH+](C)C)CCCCCC2)c1 ZINC000849053376 1322059832 /nfs/dbraw/zinc/05/98/32/1322059832.db2.gz CHPMEFBHLHALEP-UHFFFAOYSA-N 2 0 348.491 3.295 20 0 EGADRP [NH2+]=C(NCc1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849056200 1322061143 /nfs/dbraw/zinc/06/11/43/1322061143.db2.gz ZNLHPUBNQLZXDH-UHFFFAOYSA-N 2 0 328.485 3.027 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000849061341 1322062620 /nfs/dbraw/zinc/06/26/20/1322062620.db2.gz NPDQDUNSXMUSTL-UHFFFAOYSA-N 2 0 336.483 3.405 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000849064579 1322064241 /nfs/dbraw/zinc/06/42/41/1322064241.db2.gz NXEMWENGTBYFMC-IRXDYDNUSA-N 2 0 330.520 3.365 20 0 EGADRP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000849063919 1322064552 /nfs/dbraw/zinc/06/45/52/1322064552.db2.gz UWPPKJYVPIGURY-PKOBYXMFSA-N 2 0 328.504 3.155 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849068066 1322065504 /nfs/dbraw/zinc/06/55/04/1322065504.db2.gz REDXKZFRMZYUHL-LBPRGKRZSA-N 2 0 344.381 3.252 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(Cl)cc1 ZINC000849070697 1322066195 /nfs/dbraw/zinc/06/61/95/1322066195.db2.gz UQFQJKPSIIVRKE-INIZCTEOSA-N 2 0 336.911 3.216 20 0 EGADRP CC1CCN(C(=[NH2+])NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000849075603 1322067623 /nfs/dbraw/zinc/06/76/23/1322067623.db2.gz IJCOOTCSWUMFDU-FQEVSTJZSA-N 2 0 328.504 3.155 20 0 EGADRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000849089561 1322074119 /nfs/dbraw/zinc/07/41/19/1322074119.db2.gz HGTWNAXXXFPDEM-LJQANCHMSA-N 2 0 328.504 3.299 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc2c(c1)CCCO2 ZINC000850445406 1322250568 /nfs/dbraw/zinc/25/05/68/1322250568.db2.gz CUKDUXJPFKHVEX-BEVDRBHNSA-N 2 0 344.499 3.040 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC[NH+](C)CC1 ZINC000850468805 1322254395 /nfs/dbraw/zinc/25/43/95/1322254395.db2.gz LTXXUMBMDUAZCF-HNNXBMFYSA-N 2 0 334.529 3.490 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)ccc1OC ZINC000850513645 1322259502 /nfs/dbraw/zinc/25/95/02/1322259502.db2.gz ALSOKWATZQNEAH-HOTGVXAUSA-N 2 0 334.504 3.349 20 0 EGADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000850541376 1322262559 /nfs/dbraw/zinc/26/25/59/1322262559.db2.gz VTRKLLUTCKYZBV-YLJYHZDGSA-N 2 0 330.520 3.128 20 0 EGADRP CCCc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922386606 1322515076 /nfs/dbraw/zinc/51/50/76/1322515076.db2.gz GSDGILFFXQDZPY-CGXNFDGLSA-N 2 0 330.516 3.208 20 0 EGADRP Cc1noc2ncc(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)cc12 ZINC000922505611 1322544287 /nfs/dbraw/zinc/54/42/87/1322544287.db2.gz UTHVWSUBQFQCIM-UHFFFAOYSA-N 2 0 328.460 3.418 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023892192 1323008114 /nfs/dbraw/zinc/00/81/14/1323008114.db2.gz XXKXUCLMSGAZQC-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000924527570 1323042570 /nfs/dbraw/zinc/04/25/70/1323042570.db2.gz KDYUOCSDOFQUPI-IRXDYDNUSA-N 2 0 329.492 3.428 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924629288 1323084611 /nfs/dbraw/zinc/08/46/11/1323084611.db2.gz OJJLGHXLVRDILA-INIZCTEOSA-N 2 0 342.487 3.018 20 0 EGADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000924667194 1323102862 /nfs/dbraw/zinc/10/28/62/1323102862.db2.gz HYALRNLVXROCSI-FUHIMQAGSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000924673834 1323106322 /nfs/dbraw/zinc/10/63/22/1323106322.db2.gz YSSAKSKTSATWIH-UWVAXJGDSA-N 2 0 343.515 3.208 20 0 EGADRP CC1(C)OC[C@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC000851881545 1323107010 /nfs/dbraw/zinc/10/70/10/1323107010.db2.gz LAFXGGABVFBWDF-IBGZPJMESA-N 2 0 344.499 3.126 20 0 EGADRP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924756605 1323146806 /nfs/dbraw/zinc/14/68/06/1323146806.db2.gz NELGMTVUGHVUDA-YLJYHZDGSA-N 2 0 326.484 3.250 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024232375 1323221351 /nfs/dbraw/zinc/22/13/51/1323221351.db2.gz PYGQNJVVBFUEAQ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024236250 1323222488 /nfs/dbraw/zinc/22/24/88/1323222488.db2.gz IGRDUXRASHJBFC-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024236253 1323222554 /nfs/dbraw/zinc/22/25/54/1323222554.db2.gz IGRDUXRASHJBFC-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cnnn1C ZINC000924989944 1323238292 /nfs/dbraw/zinc/23/82/92/1323238292.db2.gz FSWGMSIYIYKDAA-AWEZNQCLSA-N 2 0 347.894 3.031 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278524 1323256413 /nfs/dbraw/zinc/25/64/13/1323256413.db2.gz PVIPBHMRSUAQAS-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278207 1323256956 /nfs/dbraw/zinc/25/69/56/1323256956.db2.gz GWIWPETWSQSSAU-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001024278292 1323257269 /nfs/dbraw/zinc/25/72/69/1323257269.db2.gz JGPKWCOUWIFBOI-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000925052312 1323258145 /nfs/dbraw/zinc/25/81/45/1323258145.db2.gz RSVPBXXPRVVPJS-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853098443 1323281028 /nfs/dbraw/zinc/28/10/28/1323281028.db2.gz JNHXSTBLFISXRB-UTKZUKDTSA-N 2 0 339.483 3.137 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCCC1 ZINC001024365951 1323337901 /nfs/dbraw/zinc/33/79/01/1323337901.db2.gz KXKICFMQUIFEMS-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024366613 1323339901 /nfs/dbraw/zinc/33/99/01/1323339901.db2.gz UBVGGHIXANJUFY-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440286 1323401058 /nfs/dbraw/zinc/40/10/58/1323401058.db2.gz MLKFLZISPQUUNE-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024469229 1323424713 /nfs/dbraw/zinc/42/47/13/1323424713.db2.gz QHJQIMAVDSJXAT-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024649076 1323572977 /nfs/dbraw/zinc/57/29/77/1323572977.db2.gz PCPRLZYSJFLKMG-HXUWFJFHSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692586 1323608684 /nfs/dbraw/zinc/60/86/84/1323608684.db2.gz PDIPITZFBGLUAJ-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692584 1323610324 /nfs/dbraw/zinc/61/03/24/1323610324.db2.gz PDIPITZFBGLUAJ-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001024801241 1323703388 /nfs/dbraw/zinc/70/33/88/1323703388.db2.gz LMMMILBAXPLLAS-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024813338 1323716519 /nfs/dbraw/zinc/71/65/19/1323716519.db2.gz ZLZLTKPOMVLAGJ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001024963905 1323802749 /nfs/dbraw/zinc/80/27/49/1323802749.db2.gz ZFKPQJNFTOUFIB-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001024981943 1323812048 /nfs/dbraw/zinc/81/20/48/1323812048.db2.gz ANDQYZWKXXOVOP-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001024982386 1323812149 /nfs/dbraw/zinc/81/21/49/1323812149.db2.gz NVWUKPQFOASWQD-PKOBYXMFSA-N 2 0 343.515 3.203 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001024982139 1323812212 /nfs/dbraw/zinc/81/22/12/1323812212.db2.gz GESKZCOMRGGWPF-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024989635 1323815944 /nfs/dbraw/zinc/81/59/44/1323815944.db2.gz URAZYWCRKPVENJ-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025003583 1323821557 /nfs/dbraw/zinc/82/15/57/1323821557.db2.gz SZEOPOOZSNKBSE-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025056429 1323860146 /nfs/dbraw/zinc/86/01/46/1323860146.db2.gz OFMJXPRLNSEHOG-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]2C1 ZINC000931437728 1329117582 /nfs/dbraw/zinc/11/75/82/1329117582.db2.gz NJGATZIPEJSZOJ-UXHICEINSA-N 2 0 349.478 3.322 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001025073602 1323875753 /nfs/dbraw/zinc/87/57/53/1323875753.db2.gz NFDVLGKBBXQVNU-VQTJNVASSA-N 2 0 345.531 3.052 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025137198 1323914712 /nfs/dbraw/zinc/91/47/12/1323914712.db2.gz VXVRTFSLPNRFAC-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000859996253 1329124508 /nfs/dbraw/zinc/12/45/08/1329124508.db2.gz BMMUYDHUTGYDHI-SFHVURJKSA-N 2 0 330.472 3.056 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CCC1CC1)C1CCC1 ZINC001025240342 1324034314 /nfs/dbraw/zinc/03/43/14/1324034314.db2.gz NMSRAECHGVPIIT-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240697 1324034360 /nfs/dbraw/zinc/03/43/60/1324034360.db2.gz QLPGRDISMFXEDK-RTBURBONSA-N 2 0 347.547 3.282 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001025246400 1324045584 /nfs/dbraw/zinc/04/55/84/1324045584.db2.gz WUVQMSDVPGZJCW-MOPGFXCFSA-N 2 0 340.471 3.122 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273922 1324090232 /nfs/dbraw/zinc/09/02/32/1324090232.db2.gz IEWLJGIQIILSFS-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001025301718 1324135279 /nfs/dbraw/zinc/13/52/79/1324135279.db2.gz OOCRCHVHGNQCCZ-VQTJNVASSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475873 1324320857 /nfs/dbraw/zinc/32/08/57/1324320857.db2.gz VUJAJORDSUGJHS-WMZOPIPTSA-N 2 0 342.487 3.211 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025494168 1324345813 /nfs/dbraw/zinc/34/58/13/1324345813.db2.gz VAVDUUDJIOYEGA-PKOBYXMFSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001025525405 1324371294 /nfs/dbraw/zinc/37/12/94/1324371294.db2.gz NWARCPUFKMBELE-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001025527573 1324373487 /nfs/dbraw/zinc/37/34/87/1324373487.db2.gz YJRSMBDWEKRHRR-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025584526 1324425885 /nfs/dbraw/zinc/42/58/85/1324425885.db2.gz IRXDGAJPTSIQBG-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC001026547692 1324885304 /nfs/dbraw/zinc/88/53/04/1324885304.db2.gz WLARWOCJZZBWMC-XEVCZEQESA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026561407 1324896960 /nfs/dbraw/zinc/89/69/60/1324896960.db2.gz ZOBSCQGKUDYGLI-QHGAOEGBSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)CC1 ZINC001026586698 1324913211 /nfs/dbraw/zinc/91/32/11/1324913211.db2.gz SDKHDMGPMJJGBP-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC001026592661 1324918594 /nfs/dbraw/zinc/91/85/94/1324918594.db2.gz KQEUMQUMCAWHNC-HDYDNRTBSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026610646 1324931770 /nfs/dbraw/zinc/93/17/70/1324931770.db2.gz QCCBHQYCVLHPCT-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ncccc1Cl ZINC000925214307 1325083461 /nfs/dbraw/zinc/08/34/61/1325083461.db2.gz FJQWWRCSJHACEG-KRWDZBQOSA-N 2 0 338.927 3.192 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026935004 1325091013 /nfs/dbraw/zinc/09/10/13/1325091013.db2.gz GVWWPCOKXZSYAD-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CCC([NH2+]CC2CC2)CC1 ZINC000963327126 1325110149 /nfs/dbraw/zinc/11/01/49/1325110149.db2.gz PVIWBZYLZHCZND-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963329224 1325113251 /nfs/dbraw/zinc/11/32/51/1325113251.db2.gz XCUKRQXJEBCKEV-IEBWSBKVSA-N 2 0 340.471 3.061 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360373 1325156418 /nfs/dbraw/zinc/15/64/18/1325156418.db2.gz MIRRBOXKKHAVEQ-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1 ZINC000925472145 1325164695 /nfs/dbraw/zinc/16/46/95/1325164695.db2.gz BSYMMJICMBNLBP-FQEVSTJZSA-N 2 0 339.483 3.093 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000925471220 1325164951 /nfs/dbraw/zinc/16/49/51/1325164951.db2.gz ASKGQPUFJIFPBG-OZSOSCRKSA-N 2 0 349.469 3.035 20 0 EGADRP Clc1ccc(N2CC[C@@H](C[NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925493882 1325176479 /nfs/dbraw/zinc/17/64/79/1325176479.db2.gz RZSGJHPGMMJIOT-YJBOKZPZSA-N 2 0 333.907 3.431 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000925495453 1325176795 /nfs/dbraw/zinc/17/67/95/1325176795.db2.gz YETUHQCLZBQBMT-JOUKPKRSSA-N 2 0 339.439 3.137 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506090 1325182204 /nfs/dbraw/zinc/18/22/04/1325182204.db2.gz XMGQDKJIHXVWQH-CQQLTZKSSA-N 2 0 327.516 3.331 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCCN(Cc3c(F)cccc3F)C1)[NH2+]2 ZINC000925565869 1325213421 /nfs/dbraw/zinc/21/34/21/1325213421.db2.gz ASHWQBROJFOPPF-DYFWIGMVSA-N 2 0 349.469 3.048 20 0 EGADRP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925599769 1325228540 /nfs/dbraw/zinc/22/85/40/1325228540.db2.gz CHNLLCVPAUKPIM-HXUWFJFHSA-N 2 0 339.483 3.105 20 0 EGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925602565 1325228964 /nfs/dbraw/zinc/22/89/64/1325228964.db2.gz WHTYBQZWTPCVFD-QASXUOTGSA-N 2 0 332.513 3.009 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925625530 1325235813 /nfs/dbraw/zinc/23/58/13/1325235813.db2.gz IQAQHTJYNOZCSF-YLFCFFPRSA-N 2 0 337.870 3.084 20 0 EGADRP C[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]C2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631100 1325239447 /nfs/dbraw/zinc/23/94/47/1325239447.db2.gz UQPNCRKRJALJHQ-COXVUDFISA-N 2 0 339.886 3.202 20 0 EGADRP C[NH+](C)[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925642956 1325244627 /nfs/dbraw/zinc/24/46/27/1325244627.db2.gz UOBIKTBUOBUIDT-OWCLPIDISA-N 2 0 341.421 3.168 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000925653835 1325249530 /nfs/dbraw/zinc/24/95/30/1325249530.db2.gz ZYOBIUUMNFQGKN-ACRUOGEOSA-N 2 0 342.458 3.362 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(N2CCCCC2=O)cc1 ZINC000925677277 1325259791 /nfs/dbraw/zinc/25/97/91/1325259791.db2.gz RYHIKWLSJKPXAN-JCGIZDLHSA-N 2 0 327.472 3.124 20 0 EGADRP Cc1ccc(C[C@@H](CO)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1C ZINC000925697693 1325262715 /nfs/dbraw/zinc/26/27/15/1325262715.db2.gz ZQPYGTYJQJBWGQ-SFTDATJTSA-N 2 0 326.484 3.277 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000925719348 1325269854 /nfs/dbraw/zinc/26/98/54/1325269854.db2.gz SCVXSHNWOVWUTD-AOKIIZLESA-N 2 0 337.870 3.163 20 0 EGADRP CCN(C(=O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925815299 1325313895 /nfs/dbraw/zinc/31/38/95/1325313895.db2.gz VXPGZMOQXGOCLW-IBGZPJMESA-N 2 0 325.456 3.109 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1)[NH+]1CCCCC1 ZINC000926141158 1325445108 /nfs/dbraw/zinc/44/51/08/1325445108.db2.gz GUWLSYRRLCPGDO-SJORKVTESA-N 2 0 327.476 3.182 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926172282 1325456490 /nfs/dbraw/zinc/45/64/90/1325456490.db2.gz TYXWGCQVUYQASO-KXBFYZLASA-N 2 0 349.494 3.103 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000926202090 1325467677 /nfs/dbraw/zinc/46/76/77/1325467677.db2.gz REJSOZPYUWEHSA-HZPDHXFCSA-N 2 0 329.488 3.418 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027334226 1325492877 /nfs/dbraw/zinc/49/28/77/1325492877.db2.gz KSGNVLZPGZBJSS-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP c1ccc(C[NH+]2CC[C@H](CN[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000926327577 1325518796 /nfs/dbraw/zinc/51/87/96/1325518796.db2.gz XWKHCVMPUKZLTR-QHAWAJNXSA-N 2 0 327.516 3.115 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857140680 1325579042 /nfs/dbraw/zinc/57/90/42/1325579042.db2.gz BGYRMROJVQGXSR-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)CN(CC[NH+](C)C)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857156843 1325584855 /nfs/dbraw/zinc/58/48/55/1325584855.db2.gz YQWLAVMKVXXPJM-HXUWFJFHSA-N 2 0 345.531 3.156 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027409843 1327635527 /nfs/dbraw/zinc/63/55/27/1327635527.db2.gz OTTLXWCOHXGRLN-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP CC1CC(C[N@H+](C)[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001027410727 1327637720 /nfs/dbraw/zinc/63/77/20/1327637720.db2.gz HESKZPMTOMBAIC-CTWPCTMYSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027435154 1327674251 /nfs/dbraw/zinc/67/42/51/1327674251.db2.gz ZGJFYWBSDLQDBB-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441220 1327681575 /nfs/dbraw/zinc/68/15/75/1327681575.db2.gz BILNJZZRGPZUIM-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(-n2cnnc2)c1 ZINC000926733654 1327691889 /nfs/dbraw/zinc/69/18/89/1327691889.db2.gz WLADLQQTRQRDJV-MRXNPFEDSA-N 2 0 339.487 3.040 20 0 EGADRP Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027453025 1327693917 /nfs/dbraw/zinc/69/39/17/1327693917.db2.gz XVVMBMJCOJUHDO-PMACEKPBSA-N 2 0 345.531 3.004 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000926791614 1327719546 /nfs/dbraw/zinc/71/95/46/1327719546.db2.gz SAVBGUZNCNJCLI-QGZVFWFLSA-N 2 0 341.503 3.428 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478606 1327733276 /nfs/dbraw/zinc/73/32/76/1327733276.db2.gz VZQKACPBHLIHOB-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000926846938 1327739777 /nfs/dbraw/zinc/73/97/77/1327739777.db2.gz XEJAMGJTHCGTBJ-LJQANCHMSA-N 2 0 338.536 3.062 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001027563986 1327887697 /nfs/dbraw/zinc/88/76/97/1327887697.db2.gz PQYWQUDIRQVMPB-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC001027628451 1327992351 /nfs/dbraw/zinc/99/23/51/1327992351.db2.gz BNHPAELESHNZOP-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027879197 1328344011 /nfs/dbraw/zinc/34/40/11/1328344011.db2.gz PAJBKDISWUMJFL-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027931773 1328410408 /nfs/dbraw/zinc/41/04/08/1328410408.db2.gz KJMHKVMMKCMZHW-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP COc1cc(F)c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc1OC ZINC000865716885 1329732303 /nfs/dbraw/zinc/73/23/03/1329732303.db2.gz GYZRWVAEJMMJQX-UHFFFAOYSA-N 2 0 338.467 3.443 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)CC1(C)OCCO1 ZINC000866424196 1330110137 /nfs/dbraw/zinc/11/01/37/1330110137.db2.gz DINBPZMVLLANGT-SCTDSRPQSA-N 2 0 338.536 3.408 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000866467630 1330116175 /nfs/dbraw/zinc/11/61/75/1330116175.db2.gz MEYGIFFHKIZKII-UHFFFAOYSA-N 2 0 330.520 3.151 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000866467818 1330116231 /nfs/dbraw/zinc/11/62/31/1330116231.db2.gz RESNMWDXRKWZGK-KRWDZBQOSA-N 2 0 341.503 3.428 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666322 1330139474 /nfs/dbraw/zinc/13/94/74/1330139474.db2.gz QJHQBJPTRMNOOH-YQVWRLOYSA-N 2 0 329.488 3.034 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC000939446552 1330437261 /nfs/dbraw/zinc/43/72/61/1330437261.db2.gz FHSUYIXJXUCLAJ-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC000942206463 1331879146 /nfs/dbraw/zinc/87/91/46/1331879146.db2.gz ZTIUFQUQYPHRIZ-BEFAXECRSA-N 2 0 342.487 3.129 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089329 1332497211 /nfs/dbraw/zinc/49/72/11/1332497211.db2.gz FZUAPTAOSUMUHQ-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945338325 1332561108 /nfs/dbraw/zinc/56/11/08/1332561108.db2.gz ZYAGRJZYMHVUKL-AEFFLSMTSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC000947310273 1333084267 /nfs/dbraw/zinc/08/42/67/1333084267.db2.gz ONEZUAUPXZYCJB-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC000947310313 1333084281 /nfs/dbraw/zinc/08/42/81/1333084281.db2.gz PDLDBWKZQLGHLH-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947309865 1333084610 /nfs/dbraw/zinc/08/46/10/1333084610.db2.gz IIXCNSLYPUFVRT-ROUUACIJSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCC(C)(C)C ZINC000947438094 1333127406 /nfs/dbraw/zinc/12/74/06/1333127406.db2.gz UKXGPGFLLNFMCY-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCC(C)(C)C ZINC000947551544 1333169229 /nfs/dbraw/zinc/16/92/29/1333169229.db2.gz MHBHFDJUXGVJBH-NVXWUHKLSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947615828 1333194324 /nfs/dbraw/zinc/19/43/24/1333194324.db2.gz LSMACOHJKQDSEK-FUHWJXTLSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663909 1333213965 /nfs/dbraw/zinc/21/39/65/1333213965.db2.gz ZQHBLRMPCDDKOH-MAUKXSAKSA-N 2 0 349.519 3.360 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663911 1333214019 /nfs/dbraw/zinc/21/40/19/1333214019.db2.gz ZQHBLRMPCDDKOH-YJBOKZPZSA-N 2 0 349.519 3.360 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)[C@@H](C)C2)CC1 ZINC000947851812 1333279523 /nfs/dbraw/zinc/27/95/23/1333279523.db2.gz AVQUTPLTLUUOBK-AZUAARDMSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC000948064407 1333360713 /nfs/dbraw/zinc/36/07/13/1333360713.db2.gz CAVUZHUNHNLNNJ-LPHOPBHVSA-N 2 0 343.515 3.131 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067114 1333362522 /nfs/dbraw/zinc/36/25/22/1333362522.db2.gz UCOBJUMYVLVGLF-SJLPKXTDSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435693 1333523944 /nfs/dbraw/zinc/52/39/44/1333523944.db2.gz NVMSQGJSLVDTEG-WOJBJXKFSA-N 2 0 349.563 3.243 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948553922 1333572454 /nfs/dbraw/zinc/57/24/54/1333572454.db2.gz OGRNYZLLUJNJTC-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948574508 1333582878 /nfs/dbraw/zinc/58/28/78/1333582878.db2.gz GXEOCAFXYRKNIH-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591240 1333587658 /nfs/dbraw/zinc/58/76/58/1333587658.db2.gz TUUURKXWHKHYDR-KRWDZBQOSA-N 2 0 328.460 3.061 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742445 1333654649 /nfs/dbraw/zinc/65/46/49/1333654649.db2.gz JSMKIIPIHVMPKX-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948775737 1333674326 /nfs/dbraw/zinc/67/43/26/1333674326.db2.gz PTRDAVQDDVVQHO-AEFFLSMTSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948775544 1333674751 /nfs/dbraw/zinc/67/47/51/1333674751.db2.gz KVGYSZXCJFBLAL-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948854356 1333710388 /nfs/dbraw/zinc/71/03/88/1333710388.db2.gz LRTIREFVFAMUGK-OALUTQOASA-N 2 0 343.515 3.075 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000949800817 1333926483 /nfs/dbraw/zinc/92/64/83/1333926483.db2.gz KUAGFLNQYGNXBA-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000950508348 1334082977 /nfs/dbraw/zinc/08/29/77/1334082977.db2.gz LEFGYOZNYRHGJN-HXUWFJFHSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000951200645 1334204519 /nfs/dbraw/zinc/20/45/19/1334204519.db2.gz JHVZPSDWFMZBPA-FQEVSTJZSA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[NH+](CCC3CCCCCC3)CC2)CC1 ZINC000951199360 1334204823 /nfs/dbraw/zinc/20/48/23/1334204823.db2.gz UZBUHAXWKXLSTP-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC000951369090 1334233521 /nfs/dbraw/zinc/23/35/21/1334233521.db2.gz YOGRNDGFOAAXIQ-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968332747 1335891971 /nfs/dbraw/zinc/89/19/71/1335891971.db2.gz YLMKVOFKALVVTE-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CC2=CCCCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968386800 1335915052 /nfs/dbraw/zinc/91/50/52/1335915052.db2.gz PPXDLUMEXPPJIB-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1=CCCCC1 ZINC000968782020 1336048895 /nfs/dbraw/zinc/04/88/95/1336048895.db2.gz RBBJEWALUWGPSY-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968850009 1336067741 /nfs/dbraw/zinc/06/77/41/1336067741.db2.gz MNCISZSVSNYXMC-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858378 1336070512 /nfs/dbraw/zinc/07/05/12/1336070512.db2.gz CSWBLFIYFHLUQO-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968888730 1336080862 /nfs/dbraw/zinc/08/08/62/1336080862.db2.gz YMKQDXCHGVRMEH-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933948 1336095154 /nfs/dbraw/zinc/09/51/54/1336095154.db2.gz IJUUWROOWYQBLO-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936947 1336096562 /nfs/dbraw/zinc/09/65/62/1336096562.db2.gz VQWRWBQOABDYBQ-GOSISDBHSA-N 2 0 340.471 3.275 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CCCCC2)C1 ZINC000969144422 1336161091 /nfs/dbraw/zinc/16/10/91/1336161091.db2.gz LNECUOQULVGBNT-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000969152119 1336163752 /nfs/dbraw/zinc/16/37/52/1336163752.db2.gz BREGQFOODSUTOI-GOSISDBHSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969799347 1336248987 /nfs/dbraw/zinc/24/89/87/1336248987.db2.gz WBADVGJPFDYCNX-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000969829272 1336252046 /nfs/dbraw/zinc/25/20/46/1336252046.db2.gz BJKYJHMFOGEOCP-JXFKEZNVSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005639276 1336386590 /nfs/dbraw/zinc/38/65/90/1336386590.db2.gz HRDKVDDVJMDAIP-PKOBYXMFSA-N 2 0 337.552 3.076 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005712747 1336396364 /nfs/dbraw/zinc/39/63/64/1336396364.db2.gz IILBEZMBAXLTIS-UHFFFAOYSA-N 2 0 342.487 3.307 20 0 EGADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005773366 1336400708 /nfs/dbraw/zinc/40/07/08/1336400708.db2.gz PLJBQLQGEIEOMB-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001005992826 1336435608 /nfs/dbraw/zinc/43/56/08/1336435608.db2.gz VVGFCCBLRGOWBD-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001005990929 1336435678 /nfs/dbraw/zinc/43/56/78/1336435678.db2.gz JUXGHYLNROWFJZ-XBMUEBEBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001006083350 1336449405 /nfs/dbraw/zinc/44/94/05/1336449405.db2.gz DCDLFHHFNWETTR-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001006233306 1336473099 /nfs/dbraw/zinc/47/30/99/1336473099.db2.gz WGLBMXMNBTUCGA-KRWDZBQOSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006442786 1336507044 /nfs/dbraw/zinc/50/70/44/1336507044.db2.gz LNLGGGCKWULJLV-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007500197 1336658496 /nfs/dbraw/zinc/65/84/96/1336658496.db2.gz RGEJJSDUOINJKJ-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC(CC)CC)C2)C1 ZINC001008276526 1336811967 /nfs/dbraw/zinc/81/19/67/1336811967.db2.gz MKOHZUZQYJJBAJ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001008552887 1336879977 /nfs/dbraw/zinc/87/99/77/1336879977.db2.gz RMDVUVGEBDQANO-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008750588 1336920807 /nfs/dbraw/zinc/92/08/07/1336920807.db2.gz WTBNHECCIHCVMK-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001009328414 1337007889 /nfs/dbraw/zinc/00/78/89/1337007889.db2.gz LASFSQHSSUMOCA-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433449 1337776664 /nfs/dbraw/zinc/77/66/64/1337776664.db2.gz KJNWBGQKHRPCQV-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001014724866 1337885722 /nfs/dbraw/zinc/88/57/22/1337885722.db2.gz XRFQRZULCHWNBL-ZWKOTPCHSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001014724270 1337885925 /nfs/dbraw/zinc/88/59/25/1337885925.db2.gz SRUCDUJHFLTUCB-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014730917 1337890510 /nfs/dbraw/zinc/89/05/10/1337890510.db2.gz YMQATZJYTSSPRK-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001015033578 1337996539 /nfs/dbraw/zinc/99/65/39/1337996539.db2.gz RFRMUVDAXOGZME-QAPCUYQASA-N 2 0 348.450 3.208 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001015033580 1337997106 /nfs/dbraw/zinc/99/71/06/1337997106.db2.gz RFRMUVDAXOGZME-YJBOKZPZSA-N 2 0 348.450 3.208 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001015089184 1338013397 /nfs/dbraw/zinc/01/33/97/1338013397.db2.gz HVAZKROUDXXNGN-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1)[NH+]1CCCC1 ZINC001015497204 1338159621 /nfs/dbraw/zinc/15/96/21/1338159621.db2.gz BTFAUNWPUPWPEH-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015796222 1338315486 /nfs/dbraw/zinc/31/54/86/1338315486.db2.gz WCTCWYIXBQYSIT-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001016329196 1338552473 /nfs/dbraw/zinc/55/24/73/1338552473.db2.gz KKGPVAQZEGJODV-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016621718 1338667136 /nfs/dbraw/zinc/66/71/36/1338667136.db2.gz RDDQCRUCDHOVJZ-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016642603 1338674016 /nfs/dbraw/zinc/67/40/16/1338674016.db2.gz FMEMFSXZBGCAKO-INIZCTEOSA-N 2 0 349.544 3.194 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761595 1338716016 /nfs/dbraw/zinc/71/60/16/1338716016.db2.gz OCBCGXXWRNSQPT-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001017211820 1338957137 /nfs/dbraw/zinc/95/71/37/1338957137.db2.gz LQXQUTWQSXPHNH-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCCCC1 ZINC001017265804 1338990968 /nfs/dbraw/zinc/99/09/68/1338990968.db2.gz DIFONFCPVZNXTG-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001017266266 1338992129 /nfs/dbraw/zinc/99/21/29/1338992129.db2.gz LWIKSYLULBOHKP-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017735773 1339407197 /nfs/dbraw/zinc/40/71/97/1339407197.db2.gz KTTYLMONRTXKES-HDICACEKSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018314398 1339573300 /nfs/dbraw/zinc/57/33/00/1339573300.db2.gz TZCPZYRGULDCFX-ZCNNSNEGSA-N 2 0 347.547 3.138 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC1 ZINC001028252361 1340512238 /nfs/dbraw/zinc/51/22/38/1340512238.db2.gz UZMBNHDUYQDQPQ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332156 1340570061 /nfs/dbraw/zinc/57/00/61/1340570061.db2.gz ABZDPRRMNKPZBC-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001028334222 1340571577 /nfs/dbraw/zinc/57/15/77/1340571577.db2.gz YADOUAYHAINYKV-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028579709 1340712182 /nfs/dbraw/zinc/71/21/82/1340712182.db2.gz HJFDLUIPLICWOM-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594091 1340719679 /nfs/dbraw/zinc/71/96/79/1340719679.db2.gz AQZGBEHFZVBXLP-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028647683 1340742501 /nfs/dbraw/zinc/74/25/01/1340742501.db2.gz LQKWGINKPDPOHB-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001029114637 1340933638 /nfs/dbraw/zinc/93/36/38/1340933638.db2.gz DRNWENZMJGDYAG-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001029502896 1341002213 /nfs/dbraw/zinc/00/22/13/1341002213.db2.gz ASYGEOHKSYYQPG-GBESFXJTSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029751632 1341063911 /nfs/dbraw/zinc/06/39/11/1341063911.db2.gz YQDFMWJYPNAXOT-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029861551 1341098781 /nfs/dbraw/zinc/09/87/81/1341098781.db2.gz PPSBFUYPVCOQMW-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C[N@H+](C)CC3CCCCC3)C2)CC1 ZINC001029875436 1341101010 /nfs/dbraw/zinc/10/10/10/1341101010.db2.gz JRSBQSZFCZWXIA-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC1CCC(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001029947206 1341130990 /nfs/dbraw/zinc/13/09/90/1341130990.db2.gz JXOPOXNRLBYWDC-QLOJAFMTSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+](C)CC3CCC3)CC2)C1 ZINC001029986902 1341145822 /nfs/dbraw/zinc/14/58/22/1341145822.db2.gz ZKTGKWPNABYSEE-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)[C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001029996759 1341151483 /nfs/dbraw/zinc/15/14/83/1341151483.db2.gz KYJNCBKHQGSQTA-PXNSSMCTSA-N 2 0 345.531 3.258 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001030020511 1341159835 /nfs/dbraw/zinc/15/98/35/1341159835.db2.gz CMJFDAGLWVYFEC-ZCNNSNEGSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)(C(=O)NC1C[NH+](CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001030312844 1341178118 /nfs/dbraw/zinc/17/81/18/1341178118.db2.gz JLZOPOQMDDUONA-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC1C[NH+](CC2CCCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001030444164 1341188061 /nfs/dbraw/zinc/18/80/61/1341188061.db2.gz FFGPYKZFSGEVMS-HXUWFJFHSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CCC3CCCCCC3)C2)CC1 ZINC001031188129 1341292194 /nfs/dbraw/zinc/29/21/94/1341292194.db2.gz BXVZPIKYUMCPIS-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001031851105 1341411567 /nfs/dbraw/zinc/41/15/67/1341411567.db2.gz YYRDEQZRECMPFQ-INIZCTEOSA-N 2 0 348.450 3.066 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001032129026 1341459873 /nfs/dbraw/zinc/45/98/73/1341459873.db2.gz OTEYXMWSAFUTPI-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032800463 1341618338 /nfs/dbraw/zinc/61/83/38/1341618338.db2.gz KAVGBIOBVCGLGF-ROUUACIJSA-N 2 0 343.515 3.083 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033144954 1341738645 /nfs/dbraw/zinc/73/86/45/1341738645.db2.gz CWLBYKFJHWQHEB-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230665 1341755540 /nfs/dbraw/zinc/75/55/40/1341755540.db2.gz RQESCNXOFFBNGY-LPHOPBHVSA-N 2 0 348.450 3.242 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033354041 1341793295 /nfs/dbraw/zinc/79/32/95/1341793295.db2.gz LXYMZRIRXXODQZ-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365133 1341797414 /nfs/dbraw/zinc/79/74/14/1341797414.db2.gz LIFFCENVDVSCPD-MOPGFXCFSA-N 2 0 335.536 3.116 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033426564 1341822029 /nfs/dbraw/zinc/82/20/29/1341822029.db2.gz RNDJNKQJADRCSN-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001033466005 1341837100 /nfs/dbraw/zinc/83/71/00/1341837100.db2.gz BLLWDTXKHBDKKN-PKOBYXMFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467859 1341837810 /nfs/dbraw/zinc/83/78/10/1341837810.db2.gz RQZLDHKBONCYCP-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472180 1341840073 /nfs/dbraw/zinc/84/00/73/1341840073.db2.gz SMOXEIRSTXBXSQ-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033829280 1342029893 /nfs/dbraw/zinc/02/98/93/1342029893.db2.gz VYFGNJKLXICJCG-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989120 1342132977 /nfs/dbraw/zinc/13/29/77/1342132977.db2.gz KMXMRUPHNFTDHK-YLJYHZDGSA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033988745 1342133006 /nfs/dbraw/zinc/13/30/06/1342133006.db2.gz IINGXTGEGULHLO-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001034045578 1342185804 /nfs/dbraw/zinc/18/58/04/1342185804.db2.gz LLORUZKXKRHPIW-HXUWFJFHSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034203869 1342314339 /nfs/dbraw/zinc/31/43/39/1342314339.db2.gz HCHATNHDZBLNDF-ROUUACIJSA-N 2 0 349.544 3.092 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001034217868 1342323736 /nfs/dbraw/zinc/32/37/36/1342323736.db2.gz WNVSWOHHFAURGT-SLFFLAALSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034237947 1342339045 /nfs/dbraw/zinc/33/90/45/1342339045.db2.gz DJGPZCMLQXURHV-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251234 1342347880 /nfs/dbraw/zinc/34/78/80/1342347880.db2.gz XJHAFDKDXHIKIJ-ICSRJNTNSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291638 1342377386 /nfs/dbraw/zinc/37/73/86/1342377386.db2.gz NAFKFRIRZWLWAI-IBGZPJMESA-N 2 0 348.450 3.119 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332386 1342407050 /nfs/dbraw/zinc/40/70/50/1342407050.db2.gz YLOOTVJDOOVERG-IBGZPJMESA-N 2 0 345.531 3.175 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034397196 1342464960 /nfs/dbraw/zinc/46/49/60/1342464960.db2.gz JIQLAHFIHNXRHN-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034471538 1342526828 /nfs/dbraw/zinc/52/68/28/1342526828.db2.gz DUJOHGSAEUEOTJ-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034491859 1342548219 /nfs/dbraw/zinc/54/82/19/1342548219.db2.gz ZEHPKEIIXBVWFC-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538326 1342596781 /nfs/dbraw/zinc/59/67/81/1342596781.db2.gz LRBLDPFGOWYRQK-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544972 1342605849 /nfs/dbraw/zinc/60/58/49/1342605849.db2.gz WROOLLIROGDNRI-ZWKOTPCHSA-N 2 0 349.494 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034659187 1342675954 /nfs/dbraw/zinc/67/59/54/1342675954.db2.gz OPMZFTZTEZPRPF-VAMGGRTRSA-N 2 0 343.515 3.078 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034712073 1342708527 /nfs/dbraw/zinc/70/85/27/1342708527.db2.gz OLFRDEKERWZYTH-WFAGLZIHSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001034792122 1342761351 /nfs/dbraw/zinc/76/13/51/1342761351.db2.gz FQZPYVZKEZMMJK-GSEOLPGOSA-N 2 0 343.515 3.025 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034795672 1342762418 /nfs/dbraw/zinc/76/24/18/1342762418.db2.gz PJZRVSPLUANNRQ-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001034816330 1342780515 /nfs/dbraw/zinc/78/05/15/1342780515.db2.gz NCEGPPHUKVVZFC-LJQANCHMSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001034958568 1342853479 /nfs/dbraw/zinc/85/34/79/1342853479.db2.gz KOQRTYJIJPJCOL-ZWKOTPCHSA-N 2 0 349.544 3.092 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035024954 1342883912 /nfs/dbraw/zinc/88/39/12/1342883912.db2.gz YDZZPFTYDOMIPL-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001078813280 1357094573 /nfs/dbraw/zinc/09/45/73/1357094573.db2.gz YJZHGZABYAUGEN-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035193895 1343008127 /nfs/dbraw/zinc/00/81/27/1343008127.db2.gz RNKKXAZGEORNPA-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198033 1343011766 /nfs/dbraw/zinc/01/17/66/1343011766.db2.gz AKECEMYLERJSPN-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035820647 1343215295 /nfs/dbraw/zinc/21/52/95/1343215295.db2.gz YTWALYBJVYRAKO-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036097010 1343312018 /nfs/dbraw/zinc/31/20/18/1343312018.db2.gz QXBYLQIYSFPLJR-QFBILLFUSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001036099118 1343312940 /nfs/dbraw/zinc/31/29/40/1343312940.db2.gz XLWVYTNSUYVUDE-AEFFLSMTSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036183868 1343351124 /nfs/dbraw/zinc/35/11/24/1343351124.db2.gz VEPSIEDJPLLOQI-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC(C)C)[C@@H](C)C2)o1 ZINC001036314046 1343414627 /nfs/dbraw/zinc/41/46/27/1343414627.db2.gz VSSIWXIJQUIPGA-WMZOPIPTSA-N 2 0 349.519 3.218 20 0 EGADRP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001036406002 1343467857 /nfs/dbraw/zinc/46/78/57/1343467857.db2.gz NZJGJLQQDQMRDP-GOEBONIOSA-N 2 0 349.544 3.050 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001036418899 1343474937 /nfs/dbraw/zinc/47/49/37/1343474937.db2.gz GVMSYKUUGCVBSW-IRXDYDNUSA-N 2 0 337.552 3.265 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001036441620 1343490036 /nfs/dbraw/zinc/49/00/36/1343490036.db2.gz YMLSEAIKZYJQEH-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036573040 1343560124 /nfs/dbraw/zinc/56/01/24/1343560124.db2.gz QPDLCPYABCAWTJ-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036573041 1343560156 /nfs/dbraw/zinc/56/01/56/1343560156.db2.gz QPDLCPYABCAWTJ-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001036577285 1343561868 /nfs/dbraw/zinc/56/18/68/1343561868.db2.gz FSERCSDUHIVBJV-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859088 1343793074 /nfs/dbraw/zinc/79/30/74/1343793074.db2.gz KBNVBFHSEWQDQU-UXHICEINSA-N 2 0 349.563 3.076 20 0 EGADRP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001037036263 1343942006 /nfs/dbraw/zinc/94/20/06/1343942006.db2.gz GDYRMCJEWSKDDR-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037087877 1343972612 /nfs/dbraw/zinc/97/26/12/1343972612.db2.gz BVLQPYBFCAOHBB-RBUKOAKNSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001037212457 1344045750 /nfs/dbraw/zinc/04/57/50/1344045750.db2.gz MGGRWODWUAWPIP-DOTOQJQBSA-N 2 0 349.544 3.098 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1CC ZINC001037887085 1344162003 /nfs/dbraw/zinc/16/20/03/1344162003.db2.gz OJZBQWICDZWRKD-XLIONFOSSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037903714 1344168497 /nfs/dbraw/zinc/16/84/97/1344168497.db2.gz JKBPPDLRHRPKRR-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCCC1CCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353688 1344394532 /nfs/dbraw/zinc/39/45/32/1344394532.db2.gz OMKCMIJOOXEALS-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001038518644 1344463205 /nfs/dbraw/zinc/46/32/05/1344463205.db2.gz FAZLXCJJZBMMKY-OXQOHEQNSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038622002 1344509011 /nfs/dbraw/zinc/50/90/11/1344509011.db2.gz LQKPIPBEBYTSIN-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038625930 1344510197 /nfs/dbraw/zinc/51/01/97/1344510197.db2.gz SVSNDDSGHKQIBR-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001038783399 1344582169 /nfs/dbraw/zinc/58/21/69/1344582169.db2.gz WYWIGMLYWJMFDM-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038782910 1344582912 /nfs/dbraw/zinc/58/29/12/1344582912.db2.gz VOLUPZGBRIRNLG-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001038908083 1344646290 /nfs/dbraw/zinc/64/62/90/1344646290.db2.gz HNHFDTUJIWLOMI-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCC2)c1 ZINC001039040309 1344728047 /nfs/dbraw/zinc/72/80/47/1344728047.db2.gz QTBKMFCGXXPYLI-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137470 1344817466 /nfs/dbraw/zinc/81/74/66/1344817466.db2.gz HFZBQNHMFKSYCQ-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156788 1344841899 /nfs/dbraw/zinc/84/18/99/1344841899.db2.gz WFTCYJYVYALMPF-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156787 1344842038 /nfs/dbraw/zinc/84/20/38/1344842038.db2.gz WFTCYJYVYALMPF-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167053 1344852640 /nfs/dbraw/zinc/85/26/40/1344852640.db2.gz KXEFQRPPAJDTPM-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039216649 1344933542 /nfs/dbraw/zinc/93/35/42/1344933542.db2.gz CEKDJKGRCQDADS-PKOBYXMFSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397473 1345045045 /nfs/dbraw/zinc/04/50/45/1345045045.db2.gz JQYUIWMVWPQYMQ-MOPGFXCFSA-N 2 0 349.563 3.361 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397617 1345045109 /nfs/dbraw/zinc/04/51/09/1345045109.db2.gz QOOXWXTWKRMIIQ-AEFFLSMTSA-N 2 0 340.471 3.122 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039435072 1345066457 /nfs/dbraw/zinc/06/64/57/1345066457.db2.gz SVCXHTWUQKCFHJ-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001039486742 1345105353 /nfs/dbraw/zinc/10/53/53/1345105353.db2.gz QYNJOLLWPTYEDY-UHFFFAOYSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001039578741 1345145542 /nfs/dbraw/zinc/14/55/42/1345145542.db2.gz AFPTYAODLBSZJM-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP C[N@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1)C1CCC1 ZINC001039644844 1345152906 /nfs/dbraw/zinc/15/29/06/1345152906.db2.gz YSKLAIBBUNPVQR-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241639 1345391637 /nfs/dbraw/zinc/39/16/37/1345391637.db2.gz QKPBLNRMLPHJQW-CTNGQTDRSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243780 1345393386 /nfs/dbraw/zinc/39/33/86/1345393386.db2.gz AXGKITLOFLSSAB-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)CC1 ZINC001040369535 1345459437 /nfs/dbraw/zinc/45/94/37/1345459437.db2.gz QFZJFZGMHGBENP-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040396970 1345475474 /nfs/dbraw/zinc/47/54/74/1345475474.db2.gz XHXXKDRKTQTSPS-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCC1CCCC1)CC2)[NH+](C)C ZINC001040746078 1345573713 /nfs/dbraw/zinc/57/37/13/1345573713.db2.gz VNSQRZBEFLRJJB-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001040757728 1345575702 /nfs/dbraw/zinc/57/57/02/1345575702.db2.gz YLJPADQAXMVEKN-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040912503 1345598728 /nfs/dbraw/zinc/59/87/28/1345598728.db2.gz OXUXWSXQDAAXNS-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040912505 1345598826 /nfs/dbraw/zinc/59/88/26/1345598826.db2.gz PATWBMPJQDXPDJ-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040952956 1345608907 /nfs/dbraw/zinc/60/89/07/1345608907.db2.gz HAJAWJQDRFSJFD-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288575 1345694854 /nfs/dbraw/zinc/69/48/54/1345694854.db2.gz YFMBZGOIFBFXBY-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041340069 1345705321 /nfs/dbraw/zinc/70/53/21/1345705321.db2.gz SDEIQRQVXYVGLK-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041340066 1345705611 /nfs/dbraw/zinc/70/56/11/1345705611.db2.gz SDEIQRQVXYVGLK-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357360 1345708524 /nfs/dbraw/zinc/70/85/24/1345708524.db2.gz GVBJKXMOEGNNII-CTNGQTDRSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041781982 1345847905 /nfs/dbraw/zinc/84/79/05/1345847905.db2.gz NRFNLIYARMSYHK-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCC(C)(C)C)[C@@H]3C2)CC1 ZINC001042287137 1346017953 /nfs/dbraw/zinc/01/79/53/1346017953.db2.gz GDTWYNIJWDDFMO-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C2C[NH+](CCCC3CCCC3)C2)CC1 ZINC001044128272 1346255874 /nfs/dbraw/zinc/25/58/74/1346255874.db2.gz NICHAKIXBHFKIG-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]CCC3CC3)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001044657256 1346395406 /nfs/dbraw/zinc/39/54/06/1346395406.db2.gz KPCSSSMBEXLELP-YOEHRIQHSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044742543 1346418462 /nfs/dbraw/zinc/41/84/62/1346418462.db2.gz HXEUSHQVSQNXKU-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825793 1346436167 /nfs/dbraw/zinc/43/61/67/1346436167.db2.gz WHALIHZVXYGQBK-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001044880330 1346453388 /nfs/dbraw/zinc/45/33/88/1346453388.db2.gz WIJCDWIMXNSEIB-CVEARBPZSA-N 2 0 335.492 3.114 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045092953 1346493558 /nfs/dbraw/zinc/49/35/58/1346493558.db2.gz IFFWBJCPFVVDSK-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001045165091 1346512775 /nfs/dbraw/zinc/51/27/75/1346512775.db2.gz ZNAOGIONVQNHHX-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)[NH+](C)C ZINC001045187267 1346522827 /nfs/dbraw/zinc/52/28/27/1346522827.db2.gz HDJXMSVTCWLHQP-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001045444401 1346594983 /nfs/dbraw/zinc/59/49/83/1346594983.db2.gz MKLSVTFFSIBAMF-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001045531472 1346619280 /nfs/dbraw/zinc/61/92/80/1346619280.db2.gz JUDSUPLYRWCYOX-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045942057 1346777962 /nfs/dbraw/zinc/77/79/62/1346777962.db2.gz QQEDSLCNGBGSDU-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001045943051 1346778219 /nfs/dbraw/zinc/77/82/19/1346778219.db2.gz FRSCJGHJXCXRNI-TZIWHRDSSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943072 1346778651 /nfs/dbraw/zinc/77/86/51/1346778651.db2.gz FYNXIWRUUKPRHL-NRFANRHFSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045944217 1346779839 /nfs/dbraw/zinc/77/98/39/1346779839.db2.gz ZZCTWXOBPHPSOK-FPOVZHCZSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974058 1346810312 /nfs/dbraw/zinc/81/03/12/1346810312.db2.gz XCSRWLYRUWWXJX-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001045986068 1346827120 /nfs/dbraw/zinc/82/71/20/1346827120.db2.gz GNVCUFWLHUYNIL-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001046316060 1346932202 /nfs/dbraw/zinc/93/22/02/1346932202.db2.gz NDOAECRLWMJSJK-QUCCMNQESA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC=C(C)C)C2)o1 ZINC001046864273 1347136661 /nfs/dbraw/zinc/13/66/61/1347136661.db2.gz QYRDKNCOBGJAHL-HXUWFJFHSA-N 2 0 347.503 3.282 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047240952 1347266899 /nfs/dbraw/zinc/26/68/99/1347266899.db2.gz LYMCNXBYNXJZDA-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001047249461 1347274357 /nfs/dbraw/zinc/27/43/57/1347274357.db2.gz YJPZZUQRTCVOES-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001047266425 1347287513 /nfs/dbraw/zinc/28/75/13/1347287513.db2.gz WZNULGDBEFEYGC-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266250 1347287628 /nfs/dbraw/zinc/28/76/28/1347287628.db2.gz UPPYWKWBZQIAAC-ICSRJNTNSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048527581 1347578641 /nfs/dbraw/zinc/57/86/41/1347578641.db2.gz MHNJXYWCZAKHQD-XIKSMUEASA-N 2 0 349.563 3.122 20 0 EGADRP Cc1c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc2c[nH+]cn21 ZINC001048539993 1347584343 /nfs/dbraw/zinc/58/43/43/1347584343.db2.gz WAUXPYYJRAMYPM-BJWYYQGGSA-N 2 0 340.471 3.024 20 0 EGADRP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556441 1347591793 /nfs/dbraw/zinc/59/17/93/1347591793.db2.gz HCJRNWASKLECLY-SIRBJWHBSA-N 2 0 349.563 3.122 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048589983 1347609276 /nfs/dbraw/zinc/60/92/76/1347609276.db2.gz GRYZTBONPSWTTB-IYWMVGAKSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001048621587 1347621604 /nfs/dbraw/zinc/62/16/04/1347621604.db2.gz YBNIMEWYHZPWGX-IYARVYRRSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001048622616 1347622369 /nfs/dbraw/zinc/62/23/69/1347622369.db2.gz HPSRTVXDQWEEDF-NCXUSEDFSA-N 2 0 337.552 3.027 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820100 1347665087 /nfs/dbraw/zinc/66/50/87/1347665087.db2.gz CDWSWCIGOPGYPA-KDURUIRLSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC001049370614 1347808619 /nfs/dbraw/zinc/80/86/19/1347808619.db2.gz XFLJJWIJJCZMLP-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049462778 1347860822 /nfs/dbraw/zinc/86/08/22/1347860822.db2.gz CAFTWOQBPIAWJH-VAMGGRTRSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049466125 1347861571 /nfs/dbraw/zinc/86/15/71/1347861571.db2.gz ZNBWNHZZXBUPSQ-IPMKNSEASA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476096 1347868215 /nfs/dbraw/zinc/86/82/15/1347868215.db2.gz CARLRVTZSAMFAY-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCCC1)C1CCC1 ZINC001049514511 1347886955 /nfs/dbraw/zinc/88/69/55/1347886955.db2.gz GHMQNPCKMALMHD-VQTJNVASSA-N 2 0 345.531 3.036 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049519715 1347889236 /nfs/dbraw/zinc/88/92/36/1347889236.db2.gz ASHROUMEYGHLQA-GBESFXJTSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049534977 1347896184 /nfs/dbraw/zinc/89/61/84/1347896184.db2.gz XURMQOPRIRGFCA-QRVBRYPASA-N 2 0 349.563 3.074 20 0 EGADRP CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563197 1347910874 /nfs/dbraw/zinc/91/08/74/1347910874.db2.gz CXQUAKQMACYNHC-ROUUACIJSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565060 1347913165 /nfs/dbraw/zinc/91/31/65/1347913165.db2.gz SEIATEKAGFJQFM-RTBURBONSA-N 2 0 349.563 3.361 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049654512 1347957449 /nfs/dbraw/zinc/95/74/49/1347957449.db2.gz JGFQTXNZTMZMFH-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC1 ZINC001049760688 1348005506 /nfs/dbraw/zinc/00/55/06/1348005506.db2.gz BAQHJICMLXIOAG-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC(C)(C)C)CC1 ZINC001049804692 1348027839 /nfs/dbraw/zinc/02/78/39/1348027839.db2.gz HLDBYURNMQSYSH-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049912859 1348108350 /nfs/dbraw/zinc/10/83/50/1348108350.db2.gz PHQIVNDSOHYXOS-VQTJNVASSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915617 1348110098 /nfs/dbraw/zinc/11/00/98/1348110098.db2.gz XLTZCJYWGXAKME-XUVXKRRUSA-N 2 0 347.547 3.138 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850395 1357400605 /nfs/dbraw/zinc/40/06/05/1357400605.db2.gz LUBQQCLMXFSNQM-NSISKUIASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050689867 1348328171 /nfs/dbraw/zinc/32/81/71/1348328171.db2.gz OBWODHGZDVMNJA-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001050763071 1348351354 /nfs/dbraw/zinc/35/13/54/1348351354.db2.gz PCEGKJJWVLJZAS-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050766288 1348352309 /nfs/dbraw/zinc/35/23/09/1348352309.db2.gz LCYZJFMIGJZCCA-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446999 1348543772 /nfs/dbraw/zinc/54/37/72/1348543772.db2.gz VHDPRXXWPDNZJO-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447946 1348544300 /nfs/dbraw/zinc/54/43/00/1348544300.db2.gz QKYJLQRSXFYOJB-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052499313 1348559937 /nfs/dbraw/zinc/55/99/37/1348559937.db2.gz SWRCNBCWGONICG-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052507215 1348562176 /nfs/dbraw/zinc/56/21/76/1348562176.db2.gz SZTCDXHWLQRQGE-KRWDZBQOSA-N 2 0 340.471 3.193 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590538 1348588508 /nfs/dbraw/zinc/58/85/08/1348588508.db2.gz CINAYNQOPQZETH-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCC3)CC2)C1 ZINC001052651348 1348613603 /nfs/dbraw/zinc/61/36/03/1348613603.db2.gz GNOONDWCJKVGBG-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001052658379 1348617205 /nfs/dbraw/zinc/61/72/05/1348617205.db2.gz LURKIPKLNDNNQS-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708554 1348643470 /nfs/dbraw/zinc/64/34/70/1348643470.db2.gz CYVSSCHSFJGIKN-HXUWFJFHSA-N 2 0 345.531 3.175 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052715272 1348645689 /nfs/dbraw/zinc/64/56/89/1348645689.db2.gz BTVVCFHYLBSYGB-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787041 1348679704 /nfs/dbraw/zinc/67/97/04/1348679704.db2.gz HEZWLBWXNSXSTO-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052868895 1348709897 /nfs/dbraw/zinc/70/98/97/1348709897.db2.gz YLYGDXKFVWXWFT-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954965 1348768305 /nfs/dbraw/zinc/76/83/05/1348768305.db2.gz XKDUMRMMPJVQSY-OALUTQOASA-N 2 0 349.494 3.081 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)CC2)o1 ZINC001052968092 1348778770 /nfs/dbraw/zinc/77/87/70/1348778770.db2.gz UCHATFIZTBDDLT-INIZCTEOSA-N 2 0 335.492 3.114 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029840 1348829095 /nfs/dbraw/zinc/82/90/95/1348829095.db2.gz WUHIFEMBQSWELY-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096719 1348927065 /nfs/dbraw/zinc/92/70/65/1348927065.db2.gz YPJATHPPOHWFSU-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100199 1348933003 /nfs/dbraw/zinc/93/30/03/1348933003.db2.gz FERYQIJPRNDKTK-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174424 1349175593 /nfs/dbraw/zinc/17/55/93/1349175593.db2.gz OZHGRJCAECQDST-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197749 1349200819 /nfs/dbraw/zinc/20/08/19/1349200819.db2.gz HSBBIGPUKYFZKY-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199083 1349201390 /nfs/dbraw/zinc/20/13/90/1349201390.db2.gz MRLOTAKHFYAFEW-ICSRJNTNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269582 1349267872 /nfs/dbraw/zinc/26/78/72/1349267872.db2.gz FVOZIYWSOGBWEC-WOJBJXKFSA-N 2 0 341.499 3.045 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285310 1349287496 /nfs/dbraw/zinc/28/74/96/1349287496.db2.gz CQNYWBVFZXWKMN-PMACEKPBSA-N 2 0 341.499 3.044 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001054296435 1349301259 /nfs/dbraw/zinc/30/12/59/1349301259.db2.gz GDMIEPCARLVNMZ-QWFCFKBJSA-N 2 0 345.531 3.285 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054823359 1349479159 /nfs/dbraw/zinc/47/91/59/1349479159.db2.gz LHANSDPMYPMBFJ-LPHOPBHVSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329758 1357574840 /nfs/dbraw/zinc/57/48/40/1357574840.db2.gz OMOSTJIKLOVFHV-LCLWPZTBSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442947 1357622425 /nfs/dbraw/zinc/62/24/25/1357622425.db2.gz UHAQHOYGZMXWNH-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559144 1357678762 /nfs/dbraw/zinc/67/87/62/1357678762.db2.gz XASJCKQHPJQHEX-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001071508464 1354733901 /nfs/dbraw/zinc/73/39/01/1354733901.db2.gz OKPXWQYIXQKENE-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCC1CCCC1 ZINC001071872663 1354998254 /nfs/dbraw/zinc/99/82/54/1354998254.db2.gz PJRPVIBETCACGA-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089736057 1360641416 /nfs/dbraw/zinc/64/14/16/1360641416.db2.gz UCMOHNFHGHSASO-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)C)C1 ZINC001183221707 1387282068 /nfs/dbraw/zinc/28/20/68/1387282068.db2.gz YKRKMJJRWDUJLO-UYAOXDASSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCC2)CC1 ZINC001074089028 1356076243 /nfs/dbraw/zinc/07/62/43/1356076243.db2.gz OSCHDKQAPMMSAF-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001074687826 1356224527 /nfs/dbraw/zinc/22/45/27/1356224527.db2.gz VQGJVOKAYCJOFM-UWVAXJGDSA-N 2 0 343.515 3.119 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001074686151 1356224537 /nfs/dbraw/zinc/22/45/37/1356224537.db2.gz SCZFWHWHVXNRPJ-JQHSSLGASA-N 2 0 349.544 3.090 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C)C1 ZINC001074878368 1356276879 /nfs/dbraw/zinc/27/68/79/1356276879.db2.gz PPOGZTFFDUKYMI-AOIWGVFYSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098377 1363621135 /nfs/dbraw/zinc/62/11/35/1363621135.db2.gz OMBSIQLOPLJAFN-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2)[NH+]1CCCCC1 ZINC001078625801 1357040123 /nfs/dbraw/zinc/04/01/23/1357040123.db2.gz GTEGJPDMQJKVKY-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082596585 1358065456 /nfs/dbraw/zinc/06/54/56/1358065456.db2.gz QNISZMMJTSDVTB-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082861902 1358099705 /nfs/dbraw/zinc/09/97/05/1358099705.db2.gz RXZHKUPIFXKGDE-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2=CCCCC2)C1 ZINC001183516994 1387316268 /nfs/dbraw/zinc/31/62/68/1387316268.db2.gz JINUHDUXMNTWGG-WIYYLYMNSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001084751750 1358300867 /nfs/dbraw/zinc/30/08/67/1358300867.db2.gz BCLJRTICVWKPIT-RTBURBONSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084939159 1358352014 /nfs/dbraw/zinc/35/20/14/1358352014.db2.gz URFNEMBYANQCOQ-QYZOEREBSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100860 1358390416 /nfs/dbraw/zinc/39/04/16/1358390416.db2.gz HYMYOHZJGNKOOD-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001085407445 1358491965 /nfs/dbraw/zinc/49/19/65/1358491965.db2.gz HBEWWTBPXJMLTI-SBHAEUEKSA-N 2 0 347.547 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085629002 1358646343 /nfs/dbraw/zinc/64/63/43/1358646343.db2.gz JMYLREFEWFRGRF-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695960 1358692099 /nfs/dbraw/zinc/69/20/99/1358692099.db2.gz WEWPFZZUYRYBDX-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1CCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699463 1358694463 /nfs/dbraw/zinc/69/44/63/1358694463.db2.gz OMNQXKYQMQUTPG-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918307 1358878172 /nfs/dbraw/zinc/87/81/72/1358878172.db2.gz ZLUBNRVBKYZDJV-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994168 1358948713 /nfs/dbraw/zinc/94/87/13/1358948713.db2.gz DOXSRADYXWDOSW-IRXDYDNUSA-N 2 0 349.519 3.314 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086133782 1359005289 /nfs/dbraw/zinc/00/52/89/1359005289.db2.gz FVOFFXBPHAVIEK-HSALFYBXSA-N 2 0 347.547 3.092 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086176856 1359016122 /nfs/dbraw/zinc/01/61/22/1359016122.db2.gz SLYZUPKBDREZMT-WSTZPKSXSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001086186647 1359020258 /nfs/dbraw/zinc/02/02/58/1359020258.db2.gz IWOHHYFETQHJBS-RMJJICAUSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086217024 1359030663 /nfs/dbraw/zinc/03/06/63/1359030663.db2.gz KOLGEXFZRIMWJL-HSALFYBXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086217072 1359030735 /nfs/dbraw/zinc/03/07/35/1359030735.db2.gz MKYPIDAXQDDJBY-HSALFYBXSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926015 1359251484 /nfs/dbraw/zinc/25/14/84/1359251484.db2.gz NGBNICPOENNTIR-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926845 1359251857 /nfs/dbraw/zinc/25/18/57/1359251857.db2.gz LTMFMCJJLMQYEM-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946828 1359268244 /nfs/dbraw/zinc/26/82/44/1359268244.db2.gz IYKAAIGMNLPADW-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958027 1359278787 /nfs/dbraw/zinc/27/87/87/1359278787.db2.gz BSHJAWAXMDJXBB-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001087213645 1359323186 /nfs/dbraw/zinc/32/31/86/1359323186.db2.gz FNMBJYJECYCAEQ-HOJAQTOUSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184135314 1387398897 /nfs/dbraw/zinc/39/88/97/1387398897.db2.gz NMEUGJAKFXQQOE-CZUORRHYSA-N 2 0 337.305 3.312 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001087671591 1359582825 /nfs/dbraw/zinc/58/28/25/1359582825.db2.gz GEJRPXQJHTVKGT-ZCNNSNEGSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC001087711778 1359603673 /nfs/dbraw/zinc/60/36/73/1359603673.db2.gz WVTNFVNJNIFNJS-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCC1=CCCCC1 ZINC001087726828 1359614230 /nfs/dbraw/zinc/61/42/30/1359614230.db2.gz UIYWLYBVSUFVNN-YSIASYRMSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CCC1=CCCCC1 ZINC001087726226 1359614741 /nfs/dbraw/zinc/61/47/41/1359614741.db2.gz XCRCWZTTZKMQBQ-YZGWKJHDSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CCC1CC1 ZINC001087749262 1359626619 /nfs/dbraw/zinc/62/66/19/1359626619.db2.gz BTEMCIKYFUZNJH-YTQUADARSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCC1CCCCC1 ZINC001087796682 1359650487 /nfs/dbraw/zinc/65/04/87/1359650487.db2.gz JUIPZYYBNUBBLL-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCC1CCCCCC1 ZINC001087828765 1359666804 /nfs/dbraw/zinc/66/68/04/1359666804.db2.gz VAMCRIBTIYVGSU-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001087828358 1359666880 /nfs/dbraw/zinc/66/68/80/1359666880.db2.gz JBRYCWSZIJBAQI-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001088327246 1359831407 /nfs/dbraw/zinc/83/14/07/1359831407.db2.gz ITCYGZPDFRMRAI-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001088404646 1359877378 /nfs/dbraw/zinc/87/73/78/1359877378.db2.gz BTMIMJCJTWXEEQ-SOAGJPPSSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088413373 1359884283 /nfs/dbraw/zinc/88/42/83/1359884283.db2.gz DRUOIMOAQGJAEI-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001088567317 1359976898 /nfs/dbraw/zinc/97/68/98/1359976898.db2.gz HATSRACFZIJGKQ-AEFFLSMTSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622274 1359994346 /nfs/dbraw/zinc/99/43/46/1359994346.db2.gz OJHBLYQHXILUEZ-NEWSRXKRSA-N 2 0 335.536 3.019 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@@H]2C)ccc2c[nH+]cn21 ZINC001088688693 1360013542 /nfs/dbraw/zinc/01/35/42/1360013542.db2.gz ZEXFPLPGYPBLCA-BEFAXECRSA-N 2 0 340.471 3.026 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088898540 1360097063 /nfs/dbraw/zinc/09/70/63/1360097063.db2.gz JTEKHRULQANUIJ-HOJAQTOUSA-N 2 0 347.547 3.329 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897428 1360097508 /nfs/dbraw/zinc/09/75/08/1360097508.db2.gz JDGHWKHDXLMOTI-HBFSDRIKSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897297 1360097815 /nfs/dbraw/zinc/09/78/15/1360097815.db2.gz CPGNMDKVNLGHHF-AOIWGVFYSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC001088939512 1360108868 /nfs/dbraw/zinc/10/88/68/1360108868.db2.gz URNMNIKYOZBCCI-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC)CC(C)(C)C2)C1 ZINC001089472207 1360455365 /nfs/dbraw/zinc/45/53/65/1360455365.db2.gz DPYKHMRLBJCINI-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC)CC(C)(C)C2)C1 ZINC001089472206 1360455810 /nfs/dbraw/zinc/45/58/10/1360455810.db2.gz DPYKHMRLBJCINI-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089492352 1360470081 /nfs/dbraw/zinc/47/00/81/1360470081.db2.gz HHWQINPZUYQSHV-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)CC(C)(C)C1 ZINC001089549387 1360502610 /nfs/dbraw/zinc/50/26/10/1360502610.db2.gz XOHNMEOVRRSXAL-QGZVFWFLSA-N 2 0 348.535 3.304 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558579 1360507410 /nfs/dbraw/zinc/50/74/10/1360507410.db2.gz IZKHTWWVFXSZOD-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089564507 1360511578 /nfs/dbraw/zinc/51/15/78/1360511578.db2.gz ARKMNEZYTOKJHI-RBUKOAKNSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638414 1360551865 /nfs/dbraw/zinc/55/18/65/1360551865.db2.gz BQYWOXBECFICDQ-MSOLQXFVSA-N 2 0 337.552 3.122 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705780 1360607969 /nfs/dbraw/zinc/60/79/69/1360607969.db2.gz JJVQDGIEBJPAFZ-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091267262 1361027085 /nfs/dbraw/zinc/02/70/85/1361027085.db2.gz FZCKMLXHYPGTCR-NKELODKYSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C[NH2+]CCCC1CCC1 ZINC001184577354 1387496743 /nfs/dbraw/zinc/49/67/43/1387496743.db2.gz LYMFMKPRQLUVNB-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001184577356 1387496922 /nfs/dbraw/zinc/49/69/22/1387496922.db2.gz LYMFMKPRQLUVNB-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCC3CCCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780615 1361219245 /nfs/dbraw/zinc/21/92/45/1361219245.db2.gz SJVRGERKXYKAHN-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071535 1361288493 /nfs/dbraw/zinc/28/84/93/1361288493.db2.gz ZLRPHYFFVOXXNJ-ZVDOUQERSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190621 1361318321 /nfs/dbraw/zinc/31/83/21/1361318321.db2.gz SIXOVCVYYWIOTD-DYXWJJEUSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184711939 1387517059 /nfs/dbraw/zinc/51/70/59/1387517059.db2.gz IEUCNTGHDHMRHV-UIVAWZFMSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094414204 1361791346 /nfs/dbraw/zinc/79/13/46/1361791346.db2.gz WYHHPVXATOXZKE-QKNQBKEWSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001094933506 1361950055 /nfs/dbraw/zinc/95/00/55/1361950055.db2.gz SQMIECVFXRZVDI-XIRDDKMYSA-N 2 0 349.544 3.048 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095533878 1362163776 /nfs/dbraw/zinc/16/37/76/1362163776.db2.gz RMLUGCDMAVGTMT-YRPNKDGESA-N 2 0 349.563 3.407 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001096608105 1362595104 /nfs/dbraw/zinc/59/51/04/1362595104.db2.gz QIGCYZZDXIYFSG-FYQPLNBISA-N 2 0 345.531 3.083 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974215 1363185614 /nfs/dbraw/zinc/18/56/14/1363185614.db2.gz BXTQHCJNASLONP-YSTOQKLRSA-N 2 0 349.563 3.407 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001185090879 1387617010 /nfs/dbraw/zinc/61/70/10/1387617010.db2.gz PVUDEHGPFPZXLC-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C1CCCC1 ZINC001098812255 1363477669 /nfs/dbraw/zinc/47/76/69/1363477669.db2.gz AMTBFZMJEMEAHS-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185169488 1387631954 /nfs/dbraw/zinc/63/19/54/1387631954.db2.gz MEOVKMDYNAQFDY-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2 ZINC001099026703 1363582657 /nfs/dbraw/zinc/58/26/57/1363582657.db2.gz FLDHGDNOILFGDV-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001099170161 1363668512 /nfs/dbraw/zinc/66/85/12/1363668512.db2.gz DNCQIQMXUIMFHS-AWTIPJNISA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215257 1363696116 /nfs/dbraw/zinc/69/61/16/1363696116.db2.gz RBGBIHVZCJSWRR-GFOMBABLSA-N 2 0 337.552 3.291 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236292 1363707311 /nfs/dbraw/zinc/70/73/11/1363707311.db2.gz ZMNACCAGSWRPPT-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099239600 1363708129 /nfs/dbraw/zinc/70/81/29/1363708129.db2.gz HNBQWXLHEVMMOB-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001099269575 1363724494 /nfs/dbraw/zinc/72/44/94/1363724494.db2.gz AURXWPUEFQUUMQ-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099276798 1363728109 /nfs/dbraw/zinc/72/81/09/1363728109.db2.gz XTGXOPIZZCKNDD-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321227 1363749323 /nfs/dbraw/zinc/74/93/23/1363749323.db2.gz RFHDLXMQHSOXHZ-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354206 1363768045 /nfs/dbraw/zinc/76/80/45/1363768045.db2.gz OFHPTCZPEVDQKT-GFOMBABLSA-N 2 0 337.552 3.290 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100334271 1364083042 /nfs/dbraw/zinc/08/30/42/1364083042.db2.gz WWTTVVDWYOFPJQ-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001100374473 1364095920 /nfs/dbraw/zinc/09/59/20/1364095920.db2.gz MJWJLLDXLGHRMJ-WAYWQWQTSA-N 2 0 349.544 3.264 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403028 1364103323 /nfs/dbraw/zinc/10/33/23/1364103323.db2.gz BKGBZMKIHFDPRD-VGYMBNPZSA-N 2 0 349.563 3.195 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406961 1364104200 /nfs/dbraw/zinc/10/42/00/1364104200.db2.gz TWNJEGSHDHEADP-CTWPCTMYSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001100427685 1364109968 /nfs/dbraw/zinc/10/99/68/1364109968.db2.gz BOBDNGLATCBNIP-ACBHZAAOSA-N 2 0 349.563 3.027 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2C)C1 ZINC001100460178 1364122090 /nfs/dbraw/zinc/12/20/90/1364122090.db2.gz SOTQVJVMKGOBQA-UHFFFAOYSA-N 2 0 345.531 3.018 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)C1 ZINC001100599195 1364182912 /nfs/dbraw/zinc/18/29/12/1364182912.db2.gz OJQAIYLFQBZXFO-LXPRWKDFSA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765904 1364251709 /nfs/dbraw/zinc/25/17/09/1364251709.db2.gz GZLODYWLGYGSNS-CTWPCTMYSA-N 2 0 339.568 3.273 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC1CC([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001100858390 1364295427 /nfs/dbraw/zinc/29/54/27/1364295427.db2.gz SQDJHDDSPQZLPZ-LYBXBRPPSA-N 2 0 343.515 3.130 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185293260 1387671861 /nfs/dbraw/zinc/67/18/61/1387671861.db2.gz BGGJNYGCIASYTQ-PXNSSMCTSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001100887677 1364312820 /nfs/dbraw/zinc/31/28/20/1364312820.db2.gz NDYPVQZNIYOMHT-MDCZIUGASA-N 2 0 349.494 3.103 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100889931 1364314757 /nfs/dbraw/zinc/31/47/57/1364314757.db2.gz DDVWYHAXSOJXDX-LMDPOFIKSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001100900035 1364321439 /nfs/dbraw/zinc/32/14/39/1364321439.db2.gz MTSRGDOBTJGXJK-MDCZIUGASA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101025198 1364379830 /nfs/dbraw/zinc/37/98/30/1364379830.db2.gz ZPZAIZNCJVSVRL-VIQWUECVSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101441477 1364565538 /nfs/dbraw/zinc/56/55/38/1364565538.db2.gz VHIYJGKQZOWNJZ-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101475281 1364575471 /nfs/dbraw/zinc/57/54/71/1364575471.db2.gz WKWWSQUUPBRLJB-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101477469 1364576030 /nfs/dbraw/zinc/57/60/30/1364576030.db2.gz WHSQELJFORNGFK-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001101522057 1364597018 /nfs/dbraw/zinc/59/70/18/1364597018.db2.gz LCLWOCKHPGDRKO-OVKVCFKUSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101540602 1364606912 /nfs/dbraw/zinc/60/69/12/1364606912.db2.gz LCWGMYPYJIVGTN-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001101543025 1364607990 /nfs/dbraw/zinc/60/79/90/1364607990.db2.gz MYNPMDCSZMVEDD-IEBWSBKVSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101548899 1364612654 /nfs/dbraw/zinc/61/26/54/1364612654.db2.gz PIYHPGBSJOSAFP-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]C[C@H](C)CC)CC1 ZINC001101591094 1364641691 /nfs/dbraw/zinc/64/16/91/1364641691.db2.gz DZCBXYZRUVAHMF-QGZVFWFLSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060594 1364828520 /nfs/dbraw/zinc/82/85/20/1364828520.db2.gz HRFOYFNHZNXPOX-VJQBDMSCSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213343 1364937226 /nfs/dbraw/zinc/93/72/26/1364937226.db2.gz CGYAZCOCESAAFD-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324647135 1387716971 /nfs/dbraw/zinc/71/69/71/1387716971.db2.gz LUPOWIZCILXNEC-LAUBAEHRSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185448653 1387719549 /nfs/dbraw/zinc/71/95/49/1387719549.db2.gz ZBBVMPUGSUZYBQ-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185527359 1387739927 /nfs/dbraw/zinc/73/99/27/1387739927.db2.gz QLVFTSIQYKLRSZ-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407702 1365542120 /nfs/dbraw/zinc/54/21/20/1365542120.db2.gz PVMDXPTZXMUUGT-GUDVDZBRSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426800 1365553273 /nfs/dbraw/zinc/55/32/73/1365553273.db2.gz NMPRAZJFYZBBFE-QRVBRYPASA-N 2 0 339.568 3.371 20 0 EGADRP C[C@H](C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001103495530 1365597062 /nfs/dbraw/zinc/59/70/62/1365597062.db2.gz GSJKSRRINOJYRB-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103755405 1365766227 /nfs/dbraw/zinc/76/62/27/1365766227.db2.gz GCKHHRLDEFCCSH-QWFCFKBJSA-N 2 0 345.531 3.162 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185239 1365941478 /nfs/dbraw/zinc/94/14/78/1365941478.db2.gz AREMEMJVJAKSCZ-VJQBDMSCSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104265062 1365972250 /nfs/dbraw/zinc/97/22/50/1365972250.db2.gz RGTDJTIPTMEHRD-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290812 1365977130 /nfs/dbraw/zinc/97/71/30/1365977130.db2.gz FBOHWVLVBRGLCX-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104311057 1365979576 /nfs/dbraw/zinc/97/95/76/1365979576.db2.gz PQQJDAXKMVCEFN-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355040 1365983600 /nfs/dbraw/zinc/98/36/00/1365983600.db2.gz KTODIPAOVMEBSR-VJQBDMSCSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001104641366 1366115333 /nfs/dbraw/zinc/11/53/33/1366115333.db2.gz NQUBBDJLQNCHSU-KZNAEPCWSA-N 2 0 339.568 3.083 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104691718 1366131809 /nfs/dbraw/zinc/13/18/09/1366131809.db2.gz SKRQMBHMMZTNBX-QHSFFJGXSA-N 2 0 337.552 3.147 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753497 1366157460 /nfs/dbraw/zinc/15/74/60/1366157460.db2.gz DBOAGEYYYKYQGO-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001104809741 1366183738 /nfs/dbraw/zinc/18/37/38/1366183738.db2.gz QIUBQXUWRRECSM-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104872651 1366205881 /nfs/dbraw/zinc/20/58/81/1366205881.db2.gz SGSZSHPROGOLLD-FAPWYTRCSA-N 2 0 337.552 3.149 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104923939 1366225698 /nfs/dbraw/zinc/22/56/98/1366225698.db2.gz DXSJWKTZUAXFNK-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544914 1366522134 /nfs/dbraw/zinc/52/21/34/1366522134.db2.gz YSXXMSDPOBTBPX-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001105566322 1366534370 /nfs/dbraw/zinc/53/43/70/1366534370.db2.gz HTLZOJTXCNWHFQ-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249148 1366633651 /nfs/dbraw/zinc/63/36/51/1366633651.db2.gz AUANEEMTUKAIGX-QWFCFKBJSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106271622 1366640215 /nfs/dbraw/zinc/64/02/15/1366640215.db2.gz IYICACSECOOCSE-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106431379 1366693043 /nfs/dbraw/zinc/69/30/43/1366693043.db2.gz FKXWJCMBTJFGTI-SJLPKXTDSA-N 2 0 342.487 3.068 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106432500 1366693535 /nfs/dbraw/zinc/69/35/35/1366693535.db2.gz UVFMGSBWYYJRJA-CRAIPNDOSA-N 2 0 342.487 3.068 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728699 1366782497 /nfs/dbraw/zinc/78/24/97/1366782497.db2.gz NVDBMFDKBSYNTG-SHOKJUJBSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524026 1367017422 /nfs/dbraw/zinc/01/74/22/1367017422.db2.gz CYQQGQQSFUOLEU-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109272920 1367036444 /nfs/dbraw/zinc/03/64/44/1367036444.db2.gz RVTQCEFDSNRFOD-XWSJACJDSA-N 2 0 335.536 3.161 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609410 1367070163 /nfs/dbraw/zinc/07/01/63/1367070163.db2.gz QTJVYGMBSZNKFE-SFHLNBCPSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643293 1367089849 /nfs/dbraw/zinc/08/98/49/1367089849.db2.gz GDSLZROAZZDWDG-UYAOXDASSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646378 1367090172 /nfs/dbraw/zinc/09/01/72/1367090172.db2.gz HVDFFFXBICOEKZ-SFHLNBCPSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644675 1367090872 /nfs/dbraw/zinc/09/08/72/1367090872.db2.gz FCVGUXPSCWCXTE-SFHLNBCPSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109417870 1367112173 /nfs/dbraw/zinc/11/21/73/1367112173.db2.gz PUHHOXUPPQTTIS-RDGPPVDQSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472198 1367144157 /nfs/dbraw/zinc/14/41/57/1367144157.db2.gz ZZZYJWRMSSKJRO-SQNIBIBYSA-N 2 0 335.536 3.017 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178930 1367192428 /nfs/dbraw/zinc/19/24/28/1367192428.db2.gz XUYXEWOXZZKREJ-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001109714665 1367289683 /nfs/dbraw/zinc/28/96/83/1367289683.db2.gz RWJLQSSSRKAHNN-WCIQWLHISA-N 2 0 347.547 3.329 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)[NH+](CC)CC ZINC001109714591 1367290525 /nfs/dbraw/zinc/29/05/25/1367290525.db2.gz PQFCSAFAHKCSDW-FYQPLNBISA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190654289 1367317065 /nfs/dbraw/zinc/31/70/65/1367317065.db2.gz JKOZSUVEMKIBIT-HMTUNPETSA-N 2 0 335.536 3.138 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654800 1367318756 /nfs/dbraw/zinc/31/87/56/1367318756.db2.gz LOELZFSLAPKVEW-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190656384 1367319683 /nfs/dbraw/zinc/31/96/83/1367319683.db2.gz STOQJVVLBVPUCF-ROUUACIJSA-N 2 0 337.552 3.218 20 0 EGADRP COC(=O)CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC001190954638 1367387697 /nfs/dbraw/zinc/38/76/97/1367387697.db2.gz KQJIDFWANURTIO-UHFFFAOYSA-N 2 0 332.488 3.446 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001109934267 1367411826 /nfs/dbraw/zinc/41/18/26/1367411826.db2.gz XKKSAZYENAGHQP-RNQOJCNYSA-N 2 0 343.515 3.119 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082277 1367420673 /nfs/dbraw/zinc/42/06/73/1367420673.db2.gz WAEXDWNLFTWJBZ-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1csc(C)c1 ZINC001110017602 1367460179 /nfs/dbraw/zinc/46/01/79/1367460179.db2.gz DNYYNAYCUCLKDG-SQNIBIBYSA-N 2 0 349.544 3.010 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C)c(F)c2)C1 ZINC001191258470 1367460931 /nfs/dbraw/zinc/46/09/31/1367460931.db2.gz NBECNZVKQLCFSU-INIZCTEOSA-N 2 0 335.467 3.126 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001110149725 1367526414 /nfs/dbraw/zinc/52/64/14/1367526414.db2.gz WXTDUMZLFWDEIR-AABGKKOBSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)CCCC1 ZINC001191560412 1367528137 /nfs/dbraw/zinc/52/81/37/1367528137.db2.gz FNOQCYKMLDUFMP-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001108696949 1367539783 /nfs/dbraw/zinc/53/97/83/1367539783.db2.gz NJYMZVIWMWVGDF-UAGQMJEPSA-N 2 0 349.544 3.193 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188604 1367555962 /nfs/dbraw/zinc/55/59/62/1367555962.db2.gz IQQFECNABYLACO-KCYZDWFNSA-N 2 0 347.547 3.330 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684449 1367560126 /nfs/dbraw/zinc/56/01/26/1367560126.db2.gz RUOCHNWVTODAOX-ZEVQVBBLSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684105 1367560238 /nfs/dbraw/zinc/56/02/38/1367560238.db2.gz NUFGFKWLJNYEJM-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108733413 1367564795 /nfs/dbraw/zinc/56/47/95/1367564795.db2.gz OOLKDCLXEABRDM-OTWHNJEPSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828653 1367623693 /nfs/dbraw/zinc/62/36/93/1367623693.db2.gz XKWRTQRSPCBSMT-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001191967478 1367651559 /nfs/dbraw/zinc/65/15/59/1367651559.db2.gz INBQDEDNFIFINO-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001192325692 1367752826 /nfs/dbraw/zinc/75/28/26/1367752826.db2.gz MPQQZSQPADFIQZ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192327019 1367754167 /nfs/dbraw/zinc/75/41/67/1367754167.db2.gz WBXFOBZBPZGGOY-MSOLQXFVSA-N 2 0 325.541 3.220 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406069 1367774672 /nfs/dbraw/zinc/77/46/72/1367774672.db2.gz AAFQIHOYGQNENN-PKOBYXMFSA-N 2 0 345.531 3.258 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)CCC1 ZINC001110664142 1367905664 /nfs/dbraw/zinc/90/56/64/1367905664.db2.gz HLETVWPBMUODBI-QRVBRYPASA-N 2 0 347.547 3.163 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389891 1368017625 /nfs/dbraw/zinc/01/76/25/1368017625.db2.gz JGDCDHSRLHCWIH-OALUTQOASA-N 2 0 337.552 3.364 20 0 EGADRP CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423465 1368025890 /nfs/dbraw/zinc/02/58/90/1368025890.db2.gz ACZPWBXTWVOQMO-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)C/C=C/Cl)C1 ZINC001193425283 1368026828 /nfs/dbraw/zinc/02/68/28/1368026828.db2.gz UXKUIHXRLNBFDJ-JEJOPICUSA-N 2 0 343.943 3.174 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423867 1368026844 /nfs/dbraw/zinc/02/68/44/1368026844.db2.gz HDUVBRNMBWSPRU-VQTJNVASSA-N 2 0 343.515 3.178 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424778 1368026893 /nfs/dbraw/zinc/02/68/93/1368026893.db2.gz PANSZXRUITVANR-VQTJNVASSA-N 2 0 345.531 3.258 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001193424784 1368027179 /nfs/dbraw/zinc/02/71/79/1368027179.db2.gz PAPSDZFQRRVJAX-ROUUACIJSA-N 2 0 343.531 3.169 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298607 1368258650 /nfs/dbraw/zinc/25/86/50/1368258650.db2.gz HFSKLVZQNHPMPM-IWOQZAADSA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001111312599 1368263053 /nfs/dbraw/zinc/26/30/53/1368263053.db2.gz OYNMVQCRQKMCKW-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111307814 1368263213 /nfs/dbraw/zinc/26/32/13/1368263213.db2.gz YUOZMDQPOANZOM-KURKYZTESA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1=CCCCC1)C2)[NH+](C)C ZINC001111788898 1368462599 /nfs/dbraw/zinc/46/25/99/1368462599.db2.gz OAWBGJLJKMDAOG-ZVDOUQERSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2)[NH+](C)C ZINC001111788942 1368462785 /nfs/dbraw/zinc/46/27/85/1368462785.db2.gz QBIHTQFRLPNVEP-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)C(C)C ZINC001186427634 1387941174 /nfs/dbraw/zinc/94/11/74/1387941174.db2.gz HYTCBSPYLXBVDX-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001186427560 1387941187 /nfs/dbraw/zinc/94/11/87/1387941187.db2.gz FKKSXCZSXRSUOK-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785804 1368490319 /nfs/dbraw/zinc/49/03/19/1368490319.db2.gz VYLYZXUYRMCTTL-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785835 1368490476 /nfs/dbraw/zinc/49/04/76/1368490476.db2.gz XNEOLQVVKLHDJV-LIXSYLKWSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865432 1368505907 /nfs/dbraw/zinc/50/59/07/1368505907.db2.gz KFEOIBMVVKQZTR-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865434 1368506269 /nfs/dbraw/zinc/50/62/69/1368506269.db2.gz KFEOIBMVVKQZTR-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC001195902768 1368513736 /nfs/dbraw/zinc/51/37/36/1368513736.db2.gz OPXRZOOMPMMTBS-VXKWHMMOSA-N 2 0 343.559 3.498 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155665 1368558810 /nfs/dbraw/zinc/55/88/10/1368558810.db2.gz QFLLPOASEUTJBY-YJJPMGAVSA-N 2 0 349.563 3.245 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196389019 1368603955 /nfs/dbraw/zinc/60/39/55/1368603955.db2.gz YVDZSARBAZVIST-UHFFFAOYSA-N 2 0 342.487 3.371 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388096 1368604104 /nfs/dbraw/zinc/60/41/04/1368604104.db2.gz CEOVMZMRXWWUAE-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005154 1368608154 /nfs/dbraw/zinc/60/81/54/1368608154.db2.gz XKARCAZKVHTSPU-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890618 1368708193 /nfs/dbraw/zinc/70/81/93/1368708193.db2.gz TYHNPNJGQSVVDQ-HCZHMGAMSA-N 2 0 349.563 3.389 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962195 1368722294 /nfs/dbraw/zinc/72/22/94/1368722294.db2.gz BCIYHQPMQVSNOO-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP C[N@H+](CC(=O)N1CCC[NH+](CCCC(C)(C)C)CC1)CC(C)(C)C ZINC001197187727 1368761942 /nfs/dbraw/zinc/76/19/42/1368761942.db2.gz KRTQPTKRFINCNS-UHFFFAOYSA-N 2 0 339.568 3.325 20 0 EGADRP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112428153 1368842701 /nfs/dbraw/zinc/84/27/01/1368842701.db2.gz CJVWNCKNFJEOTD-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112432214 1368848033 /nfs/dbraw/zinc/84/80/33/1368848033.db2.gz YZXUPSXTAYZGIJ-YJKCGTDLSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197871695 1368917154 /nfs/dbraw/zinc/91/71/54/1368917154.db2.gz XCQWSBHBFWUWAY-GOSISDBHSA-N 2 0 331.504 3.014 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540218 1368920797 /nfs/dbraw/zinc/92/07/97/1368920797.db2.gz LQGDJGFLIMBAIM-ZJOUEHCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001197907975 1368923159 /nfs/dbraw/zinc/92/31/59/1368923159.db2.gz NAPKNLZWHWVJBW-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112585731 1368938359 /nfs/dbraw/zinc/93/83/59/1368938359.db2.gz OLZZFVOPQRWJGL-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[N@H+](Cc2ccsc2)CC1 ZINC001198136525 1368966626 /nfs/dbraw/zinc/96/66/26/1368966626.db2.gz UBFXKYXGCIVCBU-UHFFFAOYSA-N 2 0 349.544 3.049 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001325458225 1387979520 /nfs/dbraw/zinc/97/95/20/1387979520.db2.gz VKIRNSAGCQQLSK-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113160587 1369235249 /nfs/dbraw/zinc/23/52/49/1369235249.db2.gz FNTMMLJSBXBZRQ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506633 1369381937 /nfs/dbraw/zinc/38/19/37/1369381937.db2.gz FXQTYPVPEIBFMY-PKOBYXMFSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506631 1369382062 /nfs/dbraw/zinc/38/20/62/1369382062.db2.gz FXQTYPVPEIBFMY-MJGOQNOKSA-N 2 0 337.552 3.122 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113439640 1369429684 /nfs/dbraw/zinc/42/96/84/1369429684.db2.gz MIKNAVYEDCIYHP-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CC2CC3(CCC3)C2)CC1)C(C)C ZINC001113441697 1369431086 /nfs/dbraw/zinc/43/10/86/1369431086.db2.gz NYIUQIFYRFVICV-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682436 1369562858 /nfs/dbraw/zinc/56/28/58/1369562858.db2.gz BGIUQUYXLMMHTE-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3csc4cnccc34)cc[nH+]2)CC1 ZINC001201654257 1369596829 /nfs/dbraw/zinc/59/68/29/1369596829.db2.gz KALZFHYATOKCDK-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cncc(-c4ccccn4)c3)cc[nH+]2)CC1 ZINC001201659149 1369598239 /nfs/dbraw/zinc/59/82/39/1369598239.db2.gz QOTQOXVKDOZIJV-UHFFFAOYSA-N 2 0 346.438 3.034 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c2ccsc2n1 ZINC001201658498 1369598528 /nfs/dbraw/zinc/59/85/28/1369598528.db2.gz BUJIUNLDPGQVQS-UHFFFAOYSA-N 2 0 339.468 3.495 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccccc3OC(F)F)cc[nH+]2)CC1 ZINC001201666128 1369601348 /nfs/dbraw/zinc/60/13/48/1369601348.db2.gz KSXXVPFAGBURQS-UHFFFAOYSA-N 2 0 334.370 3.178 20 0 EGADRP COc1cc(C)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1C ZINC001201672222 1369602422 /nfs/dbraw/zinc/60/24/22/1369602422.db2.gz KPJAKXODCXOORE-UHFFFAOYSA-N 2 0 326.444 3.202 20 0 EGADRP CSCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001201680372 1369604813 /nfs/dbraw/zinc/60/48/13/1369604813.db2.gz GYQGHQJAELNPCS-INIZCTEOSA-N 2 0 338.517 3.088 20 0 EGADRP FC(F)(F)CCC[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001202405336 1369762232 /nfs/dbraw/zinc/76/22/32/1369762232.db2.gz QYGQULPYGPUYOX-UHFFFAOYSA-N 2 0 344.425 3.070 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)[NH+](CC)CC ZINC001202473106 1369783231 /nfs/dbraw/zinc/78/32/31/1369783231.db2.gz FYGYSSBZTJVPSY-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001202764035 1369882806 /nfs/dbraw/zinc/88/28/06/1369882806.db2.gz KESNHKZAWRNHGK-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202862883 1369910648 /nfs/dbraw/zinc/91/06/48/1369910648.db2.gz HHYHFQJKUANGDD-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CCC1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)COC1 ZINC001202957927 1369935715 /nfs/dbraw/zinc/93/57/15/1369935715.db2.gz HSPJIHPARAHASZ-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001203081031 1369976232 /nfs/dbraw/zinc/97/62/32/1369976232.db2.gz XOKFFRCIXCFZSE-ROUUACIJSA-N 2 0 347.547 3.070 20 0 EGADRP c1csc(C[NH+]2CCC3(CC[NH+](Cc4cn[nH]c4)CC3)CC2)c1 ZINC001203090748 1369979274 /nfs/dbraw/zinc/97/92/74/1369979274.db2.gz OSVSQUJAUHESSB-UHFFFAOYSA-N 2 0 330.501 3.349 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104973 1369984861 /nfs/dbraw/zinc/98/48/61/1369984861.db2.gz UPUXFOODFIVVDI-SJORKVTESA-N 2 0 337.552 3.170 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001187035065 1388043266 /nfs/dbraw/zinc/04/32/66/1388043266.db2.gz SYZMFNKPWNMJPV-RTBURBONSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001187018548 1388041807 /nfs/dbraw/zinc/04/18/07/1388041807.db2.gz QINUHCJTEKDTEB-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2C(C)C)CC1 ZINC001203215174 1370027769 /nfs/dbraw/zinc/02/77/69/1370027769.db2.gz SMGVRUZYRBCGPD-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH2+]C/C=C/Cl)CC1)c1ccccc1 ZINC001203312222 1370077281 /nfs/dbraw/zinc/07/72/81/1370077281.db2.gz BJLCYFSQCCNFAD-NUCSPZLJSA-N 2 0 349.906 3.013 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001203330696 1370084800 /nfs/dbraw/zinc/08/48/00/1370084800.db2.gz PNYJISCRINSSDT-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C23CCC3)CC1 ZINC001203334141 1370087581 /nfs/dbraw/zinc/08/75/81/1370087581.db2.gz YGKUXPPGJCUOSP-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001203348168 1370093128 /nfs/dbraw/zinc/09/31/28/1370093128.db2.gz LIPCWWHEUBKFJH-UYAOXDASSA-N 2 0 332.463 3.006 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828295 1370101193 /nfs/dbraw/zinc/10/11/93/1370101193.db2.gz ANSNTOHOHZDHRQ-WCIQWLHISA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001203431376 1370123258 /nfs/dbraw/zinc/12/32/58/1370123258.db2.gz DWLRJGOPNMXELI-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540067 1370161636 /nfs/dbraw/zinc/16/16/36/1370161636.db2.gz SVEWWQVVZOGQOE-RTBURBONSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632545 1370194539 /nfs/dbraw/zinc/19/45/39/1370194539.db2.gz ULSFPQQNSCGXHV-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203650496 1370201361 /nfs/dbraw/zinc/20/13/61/1370201361.db2.gz HYYDLZDJZMBBNN-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651916 1370202211 /nfs/dbraw/zinc/20/22/11/1370202211.db2.gz QPDKEWJUZOIPOC-HNGSOEQISA-N 2 0 335.536 3.092 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC001203724755 1370236489 /nfs/dbraw/zinc/23/64/89/1370236489.db2.gz LPOGEODQCCSTBL-UHFFFAOYSA-N 2 0 347.547 3.162 20 0 EGADRP Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C)c1 ZINC001203733161 1370240226 /nfs/dbraw/zinc/24/02/26/1370240226.db2.gz ZQBZKNQHGXSTRX-UHFFFAOYSA-N 2 0 338.499 3.154 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203770170 1370258128 /nfs/dbraw/zinc/25/81/28/1370258128.db2.gz DUSLJYIGUZIHJE-RTBURBONSA-N 2 0 343.515 3.179 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203774043 1370260153 /nfs/dbraw/zinc/26/01/53/1370260153.db2.gz YGXXBJQHRMRQSA-RTBURBONSA-N 2 0 343.515 3.179 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203823116 1370279255 /nfs/dbraw/zinc/27/92/55/1370279255.db2.gz GTNGFYDAOJORSQ-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904346 1370308666 /nfs/dbraw/zinc/30/86/66/1370308666.db2.gz SQMDNORYMRFONG-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(=O)Nc1ccc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001203923705 1370316237 /nfs/dbraw/zinc/31/62/37/1370316237.db2.gz DBYUNBRUSYBEHR-UHFFFAOYSA-N 2 0 341.499 3.485 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001203925508 1370316766 /nfs/dbraw/zinc/31/67/66/1370316766.db2.gz QLDIGWUZEBGKLC-XFFZJAGNSA-N 2 0 343.515 3.011 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001204263040 1370424981 /nfs/dbraw/zinc/42/49/81/1370424981.db2.gz FDURNYNKJJVCOR-CALCHBBNSA-N 2 0 338.442 3.494 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CCCCC1 ZINC001115450862 1370459508 /nfs/dbraw/zinc/45/95/08/1370459508.db2.gz ROKROVGKBBCCKO-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP c1ccc2nc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001204500386 1370493392 /nfs/dbraw/zinc/49/33/92/1370493392.db2.gz SREMXKITJICUHM-BGYRXZFFSA-N 2 0 344.462 3.194 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc3c(c2)COC2(CC[NH2+]CC2)O3)cc1 ZINC001204631811 1370534146 /nfs/dbraw/zinc/53/41/46/1370534146.db2.gz OYWOHHGZJHLLFY-UHFFFAOYSA-N 2 0 338.451 3.404 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC001204714453 1370552209 /nfs/dbraw/zinc/55/22/09/1370552209.db2.gz RIYSVLNCCPAXBR-IBGZPJMESA-N 2 0 326.488 3.442 20 0 EGADRP COc1ccc(OC(C)C)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742228 1370562074 /nfs/dbraw/zinc/56/20/74/1370562074.db2.gz KTGLAADYTOIIAM-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115562950 1370562672 /nfs/dbraw/zinc/56/26/72/1370562672.db2.gz MUEZLUDZQLINFC-ACBHZAAOSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115573005 1370574896 /nfs/dbraw/zinc/57/48/96/1370574896.db2.gz CTNNQTQSKQBDMA-SFHVURJKSA-N 2 0 335.536 3.212 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573934 1370576693 /nfs/dbraw/zinc/57/66/93/1370576693.db2.gz YQOAZQTZBYOJKV-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1)C1CC1 ZINC001115573706 1370576786 /nfs/dbraw/zinc/57/67/86/1370576786.db2.gz UOSWQQMQXZKNQI-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115574807 1370577900 /nfs/dbraw/zinc/57/79/00/1370577900.db2.gz RFDYRFIMBHZNHG-SNAWJCMRSA-N 2 0 335.536 3.236 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579384 1370582626 /nfs/dbraw/zinc/58/26/26/1370582626.db2.gz LGBLPFNLIXXPBG-IAGOWNOFSA-N 2 0 341.515 3.018 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1)[NH+](C)C ZINC001115594023 1370595189 /nfs/dbraw/zinc/59/51/89/1370595189.db2.gz VCWXNXZIIVIXNX-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696093 1370677521 /nfs/dbraw/zinc/67/75/21/1370677521.db2.gz FVJFTNPWQKHZFI-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115696181 1370677642 /nfs/dbraw/zinc/67/76/42/1370677642.db2.gz JPUCESYNSHCLBB-UHFFFAOYSA-N 2 0 347.503 3.164 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001205231089 1370688917 /nfs/dbraw/zinc/68/89/17/1370688917.db2.gz WPGWCTRIHIQIJK-CQSZACIVSA-N 2 0 336.785 3.035 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715393 1370694698 /nfs/dbraw/zinc/69/46/98/1370694698.db2.gz GWJOBHULMPUFRN-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CCCc2nc[nH]c21 ZINC001115725304 1370705268 /nfs/dbraw/zinc/70/52/68/1370705268.db2.gz UDGBNBQCGVWHKE-MRXNPFEDSA-N 2 0 344.503 3.038 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCC[C@](C)([NH3+])CC3)c[nH]c2c1 ZINC001205296854 1370711098 /nfs/dbraw/zinc/71/10/98/1370711098.db2.gz VDFBNGRDQVMNFN-IBGZPJMESA-N 2 0 329.444 3.048 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115730251 1370712926 /nfs/dbraw/zinc/71/29/26/1370712926.db2.gz GVLVTFFBHRBEES-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)nc1 ZINC001205543789 1370786482 /nfs/dbraw/zinc/78/64/82/1370786482.db2.gz DYLJNIFWUGLOQS-NRFANRHFSA-N 2 0 336.483 3.315 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001325942360 1388094079 /nfs/dbraw/zinc/09/40/79/1388094079.db2.gz ISCNYDYOIBVIBQ-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC1 ZINC001205570559 1370795131 /nfs/dbraw/zinc/79/51/31/1370795131.db2.gz LRGQPQVXXBNNMI-SFHVURJKSA-N 2 0 348.853 3.450 20 0 EGADRP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205571651 1370795163 /nfs/dbraw/zinc/79/51/63/1370795163.db2.gz WVOURYPFVIOYOH-OAHLLOKOSA-N 2 0 334.357 3.367 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205570072 1370795420 /nfs/dbraw/zinc/79/54/20/1370795420.db2.gz DYLJXUZOJGYICD-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594298 1370804873 /nfs/dbraw/zinc/80/48/73/1370804873.db2.gz OYZBOORVECHJFT-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205601629 1370806250 /nfs/dbraw/zinc/80/62/50/1370806250.db2.gz FLFBSOOHUXCHLD-MAUKXSAKSA-N 2 0 326.488 3.296 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)CC[C@H]1C[NH3+] ZINC001205616901 1370811498 /nfs/dbraw/zinc/81/14/98/1370811498.db2.gz HNIGPISZEHLTNB-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OC3CCOCC3)cc2)CC[C@H]1C[NH3+] ZINC001205626344 1370816570 /nfs/dbraw/zinc/81/65/70/1370816570.db2.gz GCHFYGQFROKOPK-AEFFLSMTSA-N 2 0 332.488 3.051 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1Br ZINC001205627652 1370817805 /nfs/dbraw/zinc/81/78/05/1370817805.db2.gz RHFVRGMUEGOYJM-TZMCWYRMSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205651914 1370828386 /nfs/dbraw/zinc/82/83/86/1370828386.db2.gz LQWVJQMBTKWTAG-GOEBONIOSA-N 2 0 332.879 3.333 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001205671552 1370838103 /nfs/dbraw/zinc/83/81/03/1370838103.db2.gz CJCGYMIXUPAKDR-FQEVSTJZSA-N 2 0 328.431 3.168 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)cc1C ZINC001205677864 1370839431 /nfs/dbraw/zinc/83/94/31/1370839431.db2.gz IWTKBGQYPVTTPO-IBGZPJMESA-N 2 0 337.939 3.496 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001205734653 1370854859 /nfs/dbraw/zinc/85/48/59/1370854859.db2.gz GHQIIIMJAZSQSH-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206025072 1370942255 /nfs/dbraw/zinc/94/22/55/1370942255.db2.gz MBSVAZJUZBXZMU-NEPJUHHUSA-N 2 0 332.366 3.098 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)n21 ZINC001206036694 1370944502 /nfs/dbraw/zinc/94/45/02/1370944502.db2.gz OCENMEPKWBGJDB-GJZGRUSLSA-N 2 0 332.517 3.253 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc3c(c2)CC(=O)N3)CC1 ZINC001206229582 1370998386 /nfs/dbraw/zinc/99/83/86/1370998386.db2.gz XSYYTCHIPAAFCR-UHFFFAOYSA-N 2 0 335.451 3.019 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001206275252 1371010167 /nfs/dbraw/zinc/01/01/67/1371010167.db2.gz QOSLCDNEOFQXFP-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC001117112718 1371012267 /nfs/dbraw/zinc/01/22/67/1371012267.db2.gz NWNOZLOOBRNIJR-WBVHZDCISA-N 2 0 334.504 3.265 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](CCc2cccc(Br)c2)CC1 ZINC001206296008 1371014274 /nfs/dbraw/zinc/01/42/74/1371014274.db2.gz OLIXHIDZBVJRTC-MRXNPFEDSA-N 2 0 325.294 3.443 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304922 1371016863 /nfs/dbraw/zinc/01/68/63/1371016863.db2.gz RPHVJPYGTQVMKF-FQEVSTJZSA-N 2 0 326.488 3.440 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206317462 1371019775 /nfs/dbraw/zinc/01/97/75/1371019775.db2.gz GCJZDBVADITVJF-MRXNPFEDSA-N 2 0 341.293 3.409 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(Br)c(O)c2)CC1 ZINC001206327057 1371023769 /nfs/dbraw/zinc/02/37/69/1371023769.db2.gz RVCPWGSMRZONSG-OAHLLOKOSA-N 2 0 327.266 3.106 20 0 EGADRP Cc1ncc(Br)cc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206337945 1371026391 /nfs/dbraw/zinc/02/63/91/1371026391.db2.gz XCGFQROUDRISIZ-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP [NH3+]C[C@]1(F)CCCCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206335256 1371026619 /nfs/dbraw/zinc/02/66/19/1371026619.db2.gz DDWQXCJLRDUOBX-WOJBJXKFSA-N 2 0 333.495 3.052 20 0 EGADRP Cc1cc(Br)c(C[NH+]2CCC(CC[NH3+])CC2)cc1F ZINC001206506738 1371076952 /nfs/dbraw/zinc/07/69/52/1371076952.db2.gz NLYHCXVHMVTVLJ-UHFFFAOYSA-N 2 0 329.257 3.457 20 0 EGADRP C[NH+]1CCC(COc2ccc(F)cc2Nc2cc[nH+]c(N)c2)CC1 ZINC001206578662 1371099271 /nfs/dbraw/zinc/09/92/71/1371099271.db2.gz VOCCGOOXEVAXQO-UHFFFAOYSA-N 2 0 330.407 3.267 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001206718061 1371143609 /nfs/dbraw/zinc/14/36/09/1371143609.db2.gz MXTROEQEBNGYPV-HBMCJLEFSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001118219565 1371149182 /nfs/dbraw/zinc/14/91/82/1371149182.db2.gz ZZWIMGXCUVKPKB-UZLBHIALSA-N 2 0 343.515 3.236 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206812535 1371177543 /nfs/dbraw/zinc/17/75/43/1371177543.db2.gz ZGUGVVAEFWOXAW-LSDHHAIUSA-N 2 0 329.488 3.472 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206812533 1371177968 /nfs/dbraw/zinc/17/79/68/1371177968.db2.gz ZGUGVVAEFWOXAW-GJZGRUSLSA-N 2 0 329.488 3.472 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001206889132 1371208908 /nfs/dbraw/zinc/20/89/08/1371208908.db2.gz BUMPYDNLXSBDKB-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952301 1371242367 /nfs/dbraw/zinc/24/23/67/1371242367.db2.gz IVZCOPMPJGMQHP-UEKDZROGSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951335 1371242815 /nfs/dbraw/zinc/24/28/15/1371242815.db2.gz LLGUWXRSZCGTIM-UHFFFAOYSA-N 2 0 343.515 3.156 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206968600 1371251619 /nfs/dbraw/zinc/25/16/19/1371251619.db2.gz OYCYMPUKJJSULF-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC001118930015 1371252513 /nfs/dbraw/zinc/25/25/13/1371252513.db2.gz BZHJKZWPZWTKFM-NRFANRHFSA-N 2 0 338.499 3.320 20 0 EGADRP Cc1ncccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001207148970 1371310988 /nfs/dbraw/zinc/31/09/88/1371310988.db2.gz DPMQOOZOTSPLKI-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207187297 1371324737 /nfs/dbraw/zinc/32/47/37/1371324737.db2.gz PJDOYKYOOSCIDJ-OJAHFUOMSA-N 2 0 347.934 3.154 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001207284095 1371350844 /nfs/dbraw/zinc/35/08/44/1371350844.db2.gz IHZLBFHPDGVVMP-SFHVURJKSA-N 2 0 332.488 3.030 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001207289020 1371352434 /nfs/dbraw/zinc/35/24/34/1371352434.db2.gz YLPJXPZZGXIDHO-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP Cc1noc([C@H]2CC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001207292384 1371352645 /nfs/dbraw/zinc/35/26/45/1371352645.db2.gz QNEPCWIHNKBFIC-IBGZPJMESA-N 2 0 340.471 3.080 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001207289695 1371352950 /nfs/dbraw/zinc/35/29/50/1371352950.db2.gz WHIPRVBTJVQQRX-OAQYLSRUSA-N 2 0 328.500 3.401 20 0 EGADRP O=C1CC[C@@]2(CCC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)O1 ZINC001207294386 1371353771 /nfs/dbraw/zinc/35/37/71/1371353771.db2.gz QARRAIFWHMLPDE-OAQYLSRUSA-N 2 0 342.483 3.070 20 0 EGADRP CCC[N@@H+](CC(=O)OCC)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294349 1371353873 /nfs/dbraw/zinc/35/38/73/1371353873.db2.gz PVHICDILYLAHRA-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+](CCc3ccc(Br)cc3)C[C@H]2C1 ZINC001207385414 1371381123 /nfs/dbraw/zinc/38/11/23/1371381123.db2.gz XYUFDORBYXBOEB-HZPDHXFCSA-N 2 0 337.305 3.265 20 0 EGADRP CCC(=O)N(c1ccccc1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207392240 1371382753 /nfs/dbraw/zinc/38/27/53/1371382753.db2.gz XGSPWPZGXLWIIH-UHFFFAOYSA-N 2 0 343.515 3.236 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]32)CC1 ZINC001207402943 1371386357 /nfs/dbraw/zinc/38/63/57/1371386357.db2.gz PFOFFCJSKSMMFK-KRWDZBQOSA-N 2 0 349.519 3.317 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207482587 1371409367 /nfs/dbraw/zinc/40/93/67/1371409367.db2.gz YHQMFBIMWMOAFM-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568066 1371437929 /nfs/dbraw/zinc/43/79/29/1371437929.db2.gz NEEBQTXKLYUJDM-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP COc1ccc(CCC[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001207584111 1371443571 /nfs/dbraw/zinc/44/35/71/1371443571.db2.gz GVTZVIWYUBHRDR-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](CCCc2cccc(Cl)c2)CC1 ZINC001207585047 1371443664 /nfs/dbraw/zinc/44/36/64/1371443664.db2.gz OPONYIHWZWHQBP-UHFFFAOYSA-N 2 0 337.939 3.232 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207605075 1371450315 /nfs/dbraw/zinc/45/03/15/1371450315.db2.gz JDMHOIGBXLFBHX-UHFFFAOYSA-N 2 0 349.538 3.498 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010677 1371454400 /nfs/dbraw/zinc/45/44/00/1371454400.db2.gz UHTUTIKUWXCXRQ-SHCNBLLESA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207768 1371504575 /nfs/dbraw/zinc/50/45/75/1371504575.db2.gz FCSPYTDSDMODTG-GOSISDBHSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120207901 1371505366 /nfs/dbraw/zinc/50/53/66/1371505366.db2.gz LHZCTQTXHOTQCU-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@H]21 ZINC001207852027 1371519772 /nfs/dbraw/zinc/51/97/72/1371519772.db2.gz BZQQBTISJPJUKJ-PSBWJHGTSA-N 2 0 334.529 3.459 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC(C)C)C1 ZINC001120401498 1371561912 /nfs/dbraw/zinc/56/19/12/1371561912.db2.gz KEFMUECEGVJNOY-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001120401497 1371562570 /nfs/dbraw/zinc/56/25/70/1371562570.db2.gz KEFMUECEGVJNOY-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208013894 1371568046 /nfs/dbraw/zinc/56/80/46/1371568046.db2.gz KWLBSNOMJFGVCL-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001120462279 1371585023 /nfs/dbraw/zinc/58/50/23/1371585023.db2.gz WAVCXDNEWRNIMO-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP CC/C=C\CCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001208135156 1371606911 /nfs/dbraw/zinc/60/69/11/1371606911.db2.gz BSIOIKZMJIPTQQ-ZOYAEOFMSA-N 2 0 345.535 3.198 20 0 EGADRP COc1ccc(CC[N@H+](C[C@@H](C)O)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208185255 1371627931 /nfs/dbraw/zinc/62/79/31/1371627931.db2.gz ZCAWWPQXEMOLAS-GOSISDBHSA-N 2 0 348.531 3.043 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575658 1371824237 /nfs/dbraw/zinc/82/42/37/1371824237.db2.gz SFHKQOPVSXZVLH-BHIYHBOVSA-N 2 0 337.552 3.124 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC[NH+](CC3CC3)CC2)cc1 ZINC001208589162 1371830111 /nfs/dbraw/zinc/83/01/11/1371830111.db2.gz RZYUKHNKXJHLSZ-OAQYLSRUSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(C(=O)c3cccc(OC)c3)CC2)CC1 ZINC001208592269 1371831378 /nfs/dbraw/zinc/83/13/78/1371831378.db2.gz GKJFBHXFZYKBTM-UHFFFAOYSA-N 2 0 344.499 3.322 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001208602746 1371836233 /nfs/dbraw/zinc/83/62/33/1371836233.db2.gz MCKTVGJKODHEJO-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP COc1cccc(OCC2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC001208616468 1371843218 /nfs/dbraw/zinc/84/32/18/1371843218.db2.gz LGDQTDPWSGAWMJ-GOSISDBHSA-N 2 0 332.488 3.128 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001121110961 1371856581 /nfs/dbraw/zinc/85/65/81/1371856581.db2.gz AATMAKFAFWQAKY-UHFFFAOYSA-N 2 0 347.547 3.234 20 0 EGADRP Cc1cc(N2CC[NH+](CCc3ccc(Cl)cc3)CC2)nc(C)n1 ZINC001208740417 1371880525 /nfs/dbraw/zinc/88/05/25/1371880525.db2.gz AMAYKOWNFJCAJI-UHFFFAOYSA-N 2 0 330.863 3.112 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)CCOCCOCc2ccccc2)CC1 ZINC001208753449 1371884416 /nfs/dbraw/zinc/88/44/16/1371884416.db2.gz IKOJANWMTBFPQW-UHFFFAOYSA-N 2 0 348.531 3.416 20 0 EGADRP CC[N@H+]1C[C@H]2CN(CCCc3ccccc3Br)C[C@H]2C1 ZINC001208847927 1371916073 /nfs/dbraw/zinc/91/60/73/1371916073.db2.gz IHELZRUFSOZQLE-IYBDPMFKSA-N 2 0 337.305 3.265 20 0 EGADRP C[NH+]1CCC2(C[NH+](CCCc3ccccc3Br)C2)CC1 ZINC001208848803 1371917443 /nfs/dbraw/zinc/91/74/43/1371917443.db2.gz WHWIZANRIQNIKI-UHFFFAOYSA-N 2 0 337.305 3.409 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347865 1371945763 /nfs/dbraw/zinc/94/57/63/1371945763.db2.gz PNRSRKRQUSXGOD-MBEFBZSESA-N 2 0 349.563 3.170 20 0 EGADRP CC[N@H+](C)C1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208944306 1371957625 /nfs/dbraw/zinc/95/76/25/1371957625.db2.gz PFGDTXXCROYJFP-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP CCOC(=O)[C@H]1CCCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208953649 1371960217 /nfs/dbraw/zinc/96/02/17/1371960217.db2.gz RFHFQGJBPTUCOB-UXHICEINSA-N 2 0 344.499 3.174 20 0 EGADRP CCCCOC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208962972 1371963420 /nfs/dbraw/zinc/96/34/20/1371963420.db2.gz NBMLNSJYBBZATL-WOJBJXKFSA-N 2 0 344.499 3.174 20 0 EGADRP CC(C)[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001121462900 1371983172 /nfs/dbraw/zinc/98/31/72/1371983172.db2.gz OZODZXYCXYQWFI-UHFFFAOYSA-N 2 0 335.536 3.066 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628148 1372030479 /nfs/dbraw/zinc/03/04/79/1372030479.db2.gz CVHNPBHZPQVTGF-YQTQZHKRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001121639195 1372032779 /nfs/dbraw/zinc/03/27/79/1372032779.db2.gz OHMAOMNZYUXGHT-IRRXANFSSA-N 2 0 347.503 3.018 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223920 1372042028 /nfs/dbraw/zinc/04/20/28/1372042028.db2.gz XDTYLNVUJKZHNU-ICSRJNTNSA-N 2 0 347.547 3.330 20 0 EGADRP c1csc(CC[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001209224634 1372042865 /nfs/dbraw/zinc/04/28/65/1372042865.db2.gz IMZJSYYCAXLUMQ-UHFFFAOYSA-N 2 0 344.528 3.031 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121727669 1372061018 /nfs/dbraw/zinc/06/10/18/1372061018.db2.gz GXQNHELWFFECGG-QAELIBMJSA-N 2 0 337.552 3.026 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001209323486 1372069933 /nfs/dbraw/zinc/06/99/33/1372069933.db2.gz ITKKTYFPYFTHAC-LHZAFZKQSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001326404145 1388178264 /nfs/dbraw/zinc/17/82/64/1388178264.db2.gz PBVKHBJMTDDTKV-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4C[C@H]4C)CC3)C2)cc1 ZINC001209411605 1372098226 /nfs/dbraw/zinc/09/82/26/1372098226.db2.gz CTVIIQXSKVFCAI-UYAOXDASSA-N 2 0 328.500 3.318 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)Cn3ccnc3C(C)C)C2)C1 ZINC001121848933 1372101273 /nfs/dbraw/zinc/10/12/73/1372101273.db2.gz TVCFHNXOHVIJEM-UEBDJUODSA-N 2 0 346.519 3.070 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001121859762 1372105793 /nfs/dbraw/zinc/10/57/93/1372105793.db2.gz HGDFNYPTHYMUTE-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001121860771 1372106122 /nfs/dbraw/zinc/10/61/22/1372106122.db2.gz ORTCXJJLYKLLBI-SNAWJCMRSA-N 2 0 347.547 3.092 20 0 EGADRP C[C@@H]1CCN(CCC[NH+]2CCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001209448027 1372107894 /nfs/dbraw/zinc/10/78/94/1372107894.db2.gz LDLXOSRYMIAFFO-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CN(Cc2ccc(F)cc2)CCN1CCC[NH+]1CCCCC1 ZINC001209448430 1372108095 /nfs/dbraw/zinc/10/80/95/1372108095.db2.gz RENWIHCWRXNLAL-GOSISDBHSA-N 2 0 333.495 3.208 20 0 EGADRP O=C1C[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)CN1c1ccsc1 ZINC001209451228 1372109495 /nfs/dbraw/zinc/10/94/95/1372109495.db2.gz VIDGGMZIHKFLRC-IBGZPJMESA-N 2 0 347.528 3.053 20 0 EGADRP C[NH2+]CCCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001121916371 1372122133 /nfs/dbraw/zinc/12/21/33/1372122133.db2.gz WZXCVRMKRCHHMV-UHFFFAOYSA-N 2 0 331.504 3.069 20 0 EGADRP c1cc2ccc(C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)cc2[nH]1 ZINC001209507870 1372124626 /nfs/dbraw/zinc/12/46/26/1372124626.db2.gz UAUAZZHJLDMERO-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)CC1)C2 ZINC001122106857 1372175674 /nfs/dbraw/zinc/17/56/74/1372175674.db2.gz SOAODGAMVQYXGS-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231806 1372207272 /nfs/dbraw/zinc/20/72/72/1372207272.db2.gz YOXCVRRYEFBXHZ-XJJIXNBRSA-N 2 0 335.536 3.066 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001122237928 1372209033 /nfs/dbraw/zinc/20/90/33/1372209033.db2.gz WPGRMXXNJLVUEM-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001209939812 1372237756 /nfs/dbraw/zinc/23/77/56/1372237756.db2.gz ITZLAOWPOZDVCP-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001209951476 1372240144 /nfs/dbraw/zinc/24/01/44/1372240144.db2.gz LNAMVVLFLHZEFK-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210221284 1372296994 /nfs/dbraw/zinc/29/69/94/1372296994.db2.gz ZAWPGWJBCSMHRA-RTBURBONSA-N 2 0 345.531 3.287 20 0 EGADRP Fc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C(F)(F)F)c1 ZINC001210264546 1372309267 /nfs/dbraw/zinc/30/92/67/1372309267.db2.gz TUTPRLQVNJGRSX-UHFFFAOYSA-N 2 0 340.324 3.393 20 0 EGADRP Clc1c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccc2cnccc21 ZINC001210267535 1372310280 /nfs/dbraw/zinc/31/02/80/1372310280.db2.gz IDSYYVXYGHLKMJ-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210283636 1372314393 /nfs/dbraw/zinc/31/43/93/1372314393.db2.gz QCKCOUTWWCJWEX-VOFKWLDRSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001210494810 1372365776 /nfs/dbraw/zinc/36/57/76/1372365776.db2.gz XRBLCMMCOVKFLF-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584397 1372385065 /nfs/dbraw/zinc/38/50/65/1372385065.db2.gz GYEHLVUONYAFLG-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210781755 1372425442 /nfs/dbraw/zinc/42/54/42/1372425442.db2.gz BZEMCBGAQDPREL-IBGZPJMESA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001210796962 1372427783 /nfs/dbraw/zinc/42/77/83/1372427783.db2.gz MFGXBLWLRNBUGO-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001211229585 1372508089 /nfs/dbraw/zinc/50/80/89/1372508089.db2.gz XQOKHEVIBBOAJG-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211242063 1372510499 /nfs/dbraw/zinc/51/04/99/1372510499.db2.gz YVEZHIWDZFALCT-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211247970 1372512170 /nfs/dbraw/zinc/51/21/70/1372512170.db2.gz CZPVLWILHXPLQD-ZMBJWTFHSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211257910 1372514638 /nfs/dbraw/zinc/51/46/38/1372514638.db2.gz WWRHJAJMVJTILE-MOPGFXCFSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211300045 1372524193 /nfs/dbraw/zinc/52/41/93/1372524193.db2.gz IPQCDONGAUOFMY-QWFCFKBJSA-N 2 0 343.515 3.060 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211337409 1372533976 /nfs/dbraw/zinc/53/39/76/1372533976.db2.gz OUROMJDUCNKUCQ-AJWBFMOXSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211349613 1372537846 /nfs/dbraw/zinc/53/78/46/1372537846.db2.gz HWUYELUMIKIXDO-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443594 1372559336 /nfs/dbraw/zinc/55/93/36/1372559336.db2.gz DNJHSPXDXHFKMQ-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001188085017 1388239279 /nfs/dbraw/zinc/23/92/79/1388239279.db2.gz MDDWEBMXGUMXAX-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855906 1373130393 /nfs/dbraw/zinc/13/03/93/1373130393.db2.gz RGMCVBLWJYLENP-IEVDXQOXSA-N 2 0 349.563 3.432 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855665 1373130542 /nfs/dbraw/zinc/13/05/42/1373130542.db2.gz KJKWDDBDNKYMRY-GUDVDZBRSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215069486 1373164533 /nfs/dbraw/zinc/16/45/33/1373164533.db2.gz QPOUQXUJGJHCIX-FRQCXROJSA-N 2 0 342.487 3.067 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188139085 1388248284 /nfs/dbraw/zinc/24/82/84/1388248284.db2.gz HXTJNOIGUZJIAX-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1sccc1C[NH+](C)C)c1ccc(F)cc1 ZINC001128543134 1373286933 /nfs/dbraw/zinc/28/69/33/1373286933.db2.gz BZNKOSQEJWZSLU-CYBMUJFWSA-N 2 0 349.475 3.029 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001216349383 1373304263 /nfs/dbraw/zinc/30/42/63/1373304263.db2.gz WUXUEUWDFSYLLT-KIUVSXKZSA-N 2 0 343.943 3.078 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001216845122 1373350233 /nfs/dbraw/zinc/35/02/33/1373350233.db2.gz YBCIGPDGNDOURS-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980738 1373374572 /nfs/dbraw/zinc/37/45/72/1373374572.db2.gz POWXORKVEYXNDR-XOIGSVRCSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001129418950 1373381373 /nfs/dbraw/zinc/38/13/73/1373381373.db2.gz YVTOHVXHPZPYKC-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP [NH3+]Cc1cccc(Cc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)c1 ZINC001217711073 1373492719 /nfs/dbraw/zinc/49/27/19/1373492719.db2.gz DBHHVSFEWXRFBX-IBGZPJMESA-N 2 0 348.450 3.109 20 0 EGADRP [NH3+]Cc1ccc(CO[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001217907865 1373511446 /nfs/dbraw/zinc/51/14/46/1373511446.db2.gz DZQATPGIJTVWJS-IBGZPJMESA-N 2 0 328.431 3.466 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@@H]1OC[C@@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217917316 1373512185 /nfs/dbraw/zinc/51/21/85/1373512185.db2.gz VUVZGZPIGDAGOA-SLYNCCJLSA-N 2 0 346.515 3.071 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001130424822 1373532278 /nfs/dbraw/zinc/53/22/78/1373532278.db2.gz CTMXIYUHDITEGM-INIZCTEOSA-N 2 0 341.499 3.337 20 0 EGADRP Fc1ccccc1C[N@@H+]1CCC[C@H](Oc2cccc3c2C[NH2+]C3)C1 ZINC001218390431 1373605197 /nfs/dbraw/zinc/60/51/97/1373605197.db2.gz JAEFNNHQFLWQMD-KRWDZBQOSA-N 2 0 326.415 3.472 20 0 EGADRP [NH3+]CCc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001218410603 1373609435 /nfs/dbraw/zinc/60/94/35/1373609435.db2.gz GKBTXPYSGVETRN-LJQANCHMSA-N 2 0 330.859 3.495 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188245797 1388274505 /nfs/dbraw/zinc/27/45/05/1388274505.db2.gz AXHCZCXAMRNEQS-UVRCQCPESA-N 2 0 347.547 3.140 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1Cl ZINC001131374465 1373686351 /nfs/dbraw/zinc/68/63/51/1373686351.db2.gz BCRBBARQELMPQL-CYBMUJFWSA-N 2 0 342.830 3.068 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)[C@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)cc1 ZINC001219345513 1373702936 /nfs/dbraw/zinc/70/29/36/1373702936.db2.gz RDMLHCBIYKLCAE-OAQYLSRUSA-N 2 0 345.446 3.321 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(C2CCCCC2)ccc1O ZINC001219398452 1373706806 /nfs/dbraw/zinc/70/68/06/1373706806.db2.gz KLTLEOHGPRGDFV-INIZCTEOSA-N 2 0 333.476 3.095 20 0 EGADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001219818684 1373733746 /nfs/dbraw/zinc/73/37/46/1373733746.db2.gz JJYUVAWVZGBDLK-NCYKPQTJSA-N 2 0 349.478 3.089 20 0 EGADRP N[C@H](C[NH3+])c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1 ZINC001219950163 1373741294 /nfs/dbraw/zinc/74/12/94/1373741294.db2.gz KSWQOXXDVUACFC-RRWXTXHCSA-N 2 0 337.467 3.101 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCC2=CCCCC2)CCCCC1 ZINC001131799800 1373809446 /nfs/dbraw/zinc/80/94/46/1373809446.db2.gz VZLDCZQLRJUUIT-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)CC[N@@H+](C)C2CCCCC2)c(C)c1 ZINC001131815820 1373819662 /nfs/dbraw/zinc/81/96/62/1373819662.db2.gz VGYQFBQFACXDCL-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224795074 1375077662 /nfs/dbraw/zinc/07/76/62/1375077662.db2.gz CWQCNRICZKHOKA-WGLWSTOQSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001225542743 1375122264 /nfs/dbraw/zinc/12/22/64/1375122264.db2.gz ODXMENSTCKVWLZ-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001225542122 1375122536 /nfs/dbraw/zinc/12/25/36/1375122536.db2.gz IGBZOOTZFDPQIR-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C[N@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)CC[C@H]2C)cs1 ZINC001132105344 1375150819 /nfs/dbraw/zinc/15/08/19/1375150819.db2.gz FPQOFGYYFQTRIJ-RHSMWYFYSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1CCCCC1 ZINC001132106430 1375151490 /nfs/dbraw/zinc/15/14/90/1375151490.db2.gz UICKDXDBNRYLGX-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)CCCC1 ZINC001188690548 1388361213 /nfs/dbraw/zinc/36/12/13/1388361213.db2.gz OFSYVWYMZXZIMZ-ZWKOTPCHSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691306 1388361418 /nfs/dbraw/zinc/36/14/18/1388361418.db2.gz XRMLRXNFAODBMP-OBNUAKFSSA-N 2 0 347.547 3.140 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152697 1375172422 /nfs/dbraw/zinc/17/24/22/1375172422.db2.gz HUFWLTOMZMQDCU-NDZBKKTDSA-N 2 0 337.552 3.432 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132154064 1375174406 /nfs/dbraw/zinc/17/44/06/1375174406.db2.gz WONXLYPNCPXWMZ-PKOBYXMFSA-N 2 0 345.531 3.194 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001327004939 1388364068 /nfs/dbraw/zinc/36/40/68/1388364068.db2.gz OJHAPYTYUZJMJG-UHFFFAOYSA-N 2 0 340.471 3.051 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)CC[N@@H+]1C ZINC001226342130 1375242795 /nfs/dbraw/zinc/24/27/95/1375242795.db2.gz SAUUIEJTXAPDIM-MTQWCTHYSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226766678 1375329404 /nfs/dbraw/zinc/32/94/04/1375329404.db2.gz NGLNPDZCBMAUCL-PPDIFPAASA-N 2 0 341.927 3.019 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132409649 1375358166 /nfs/dbraw/zinc/35/81/66/1375358166.db2.gz CIIJJGSHRLWEJL-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226942017 1375363779 /nfs/dbraw/zinc/36/37/79/1375363779.db2.gz MMCFECFLJZMKOM-KURKYZTESA-N 2 0 325.541 3.026 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1F ZINC001132432058 1375377148 /nfs/dbraw/zinc/37/71/48/1375377148.db2.gz AXKDPMOEPSOMQT-SJLPKXTDSA-N 2 0 349.494 3.027 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132432598 1375377623 /nfs/dbraw/zinc/37/76/23/1375377623.db2.gz FDLZSOUTMKIRLZ-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132435379 1375380016 /nfs/dbraw/zinc/38/00/16/1375380016.db2.gz CICVJJUAPRDVJE-QQXWZLKESA-N 2 0 343.515 3.011 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132436380 1375380720 /nfs/dbraw/zinc/38/07/20/1375380720.db2.gz LCAFGVGNXKYMMJ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCC2)C1 ZINC001132437046 1375381602 /nfs/dbraw/zinc/38/16/02/1375381602.db2.gz PMDSXTFEOQGZOK-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132441418 1375385751 /nfs/dbraw/zinc/38/57/51/1375385751.db2.gz OOCDYGKIEFPLQH-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517416 1375436422 /nfs/dbraw/zinc/43/64/22/1375436422.db2.gz CBYNOUQYUZMERV-QUCCMNQESA-N 2 0 345.531 3.113 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC001132519266 1375437460 /nfs/dbraw/zinc/43/74/60/1375437460.db2.gz VUPQMNVRKPBAOP-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CCC1CC1 ZINC001132549551 1375456047 /nfs/dbraw/zinc/45/60/47/1375456047.db2.gz UVBQXOGODWJPOF-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001227807020 1375478015 /nfs/dbraw/zinc/47/80/15/1375478015.db2.gz KZXGNLSJTKCLTB-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)C)C1 ZINC001228138716 1375519709 /nfs/dbraw/zinc/51/97/09/1375519709.db2.gz WWPDMDWVDQZGIO-GUDVDZBRSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001228138857 1375520303 /nfs/dbraw/zinc/52/03/03/1375520303.db2.gz YNFYZTPSTPMGBQ-GUDVDZBRSA-N 2 0 337.552 3.316 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)cc1 ZINC001228261184 1375536060 /nfs/dbraw/zinc/53/60/60/1375536060.db2.gz HUVIVMYXEAYHSF-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC001228377030 1375559458 /nfs/dbraw/zinc/55/94/58/1375559458.db2.gz KUHIFQVUIMWEPF-WOJBJXKFSA-N 2 0 343.515 3.033 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950282 1375667134 /nfs/dbraw/zinc/66/71/34/1375667134.db2.gz LIGXMEJUSIFNLZ-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012695 1375711204 /nfs/dbraw/zinc/71/12/04/1375711204.db2.gz UNGSBXVUKGOEAA-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001133052020 1375743091 /nfs/dbraw/zinc/74/30/91/1375743091.db2.gz YPZOVYBZWSGNLX-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001229058018 1375754171 /nfs/dbraw/zinc/75/41/71/1375754171.db2.gz DAMSHEPUWXRQAU-DNVCBOLYSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1)[NH+](CC)CC ZINC001229171281 1375780885 /nfs/dbraw/zinc/78/08/85/1375780885.db2.gz MJDHMSSYMXVKBT-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122721 1375787549 /nfs/dbraw/zinc/78/75/49/1375787549.db2.gz UQQGMDDYYAEYLO-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(C)c1 ZINC001229230520 1375791574 /nfs/dbraw/zinc/79/15/74/1375791574.db2.gz IYFHAAUKAFGRQQ-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001229231256 1375791700 /nfs/dbraw/zinc/79/17/00/1375791700.db2.gz PGTWVXHCLLXFFE-VAMGGRTRSA-N 2 0 343.515 3.033 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001229462721 1375840469 /nfs/dbraw/zinc/84/04/69/1375840469.db2.gz RPBLXUOWCMEONY-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)CCCn2ccnc2C)CC1 ZINC001229616436 1375865521 /nfs/dbraw/zinc/86/55/21/1375865521.db2.gz LIADMQWEEMKPIP-AATRIKPKSA-N 2 0 346.519 3.299 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133254171 1375870830 /nfs/dbraw/zinc/87/08/30/1375870830.db2.gz PGMVUFIFLCNAOW-MOPGFXCFSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001133263011 1375879506 /nfs/dbraw/zinc/87/95/06/1375879506.db2.gz NOXXWPVRFOLNMC-MJGOQNOKSA-N 2 0 339.568 3.229 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133333499 1375929044 /nfs/dbraw/zinc/92/90/44/1375929044.db2.gz ILVSCVOMXAPUIM-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001133358696 1375942574 /nfs/dbraw/zinc/94/25/74/1375942574.db2.gz CPEWIVMBTDJXSO-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001230107468 1375943608 /nfs/dbraw/zinc/94/36/08/1375943608.db2.gz GOUNMUIERXFVFO-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC001230274681 1375980827 /nfs/dbraw/zinc/98/08/27/1375980827.db2.gz FSSPDCZZNZYTCE-ATZDWAIDSA-N 2 0 349.494 3.244 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001230274647 1375981287 /nfs/dbraw/zinc/98/12/87/1375981287.db2.gz DRMVAOOSYFIQPO-KZNAEPCWSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001230280269 1375982115 /nfs/dbraw/zinc/98/21/15/1375982115.db2.gz RWTPPMXSQNFXMU-KBAGWLGSSA-N 2 0 343.515 3.057 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1C ZINC001133416041 1375996210 /nfs/dbraw/zinc/99/62/10/1375996210.db2.gz ZURPWIWTZRALJS-HXUWFJFHSA-N 2 0 347.547 3.021 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230597952 1376093662 /nfs/dbraw/zinc/09/36/62/1376093662.db2.gz ARLFVEDHJGFNQG-PXIXMTEYSA-N 2 0 349.563 3.386 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230621941 1376105250 /nfs/dbraw/zinc/10/52/50/1376105250.db2.gz JCIAJNXKNJCDLH-WUUFJKRQSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1cc2ccccc2s1)[NH+](CC)CC ZINC001133685302 1376154611 /nfs/dbraw/zinc/15/46/11/1376154611.db2.gz SMEDDLXLJWNCBV-KRWDZBQOSA-N 2 0 347.528 3.228 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC001327180164 1388427734 /nfs/dbraw/zinc/42/77/34/1388427734.db2.gz FMHXQHQSJRVPST-UHFFFAOYSA-N 2 0 349.478 3.223 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+]CCCC2CCCC2)cc1 ZINC001133894219 1376254252 /nfs/dbraw/zinc/25/42/52/1376254252.db2.gz YFIJCDWYKFBHOO-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP c1c2c[nH+]ccc2[nH]c1CN1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001232012749 1376381556 /nfs/dbraw/zinc/38/15/56/1376381556.db2.gz QDUAWKZSYYTWDE-BGYRXZFFSA-N 2 0 332.451 3.412 20 0 EGADRP O=C1c2ccccc2CN1[C@@H]1CCCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232019137 1376385750 /nfs/dbraw/zinc/38/57/50/1376385750.db2.gz WQZWLRVNHMEPIV-GOSISDBHSA-N 2 0 346.434 3.183 20 0 EGADRP COc1cccc2[nH]cc(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)c21 ZINC001232039908 1376387847 /nfs/dbraw/zinc/38/78/47/1376387847.db2.gz NOHYTTLYFLKRON-UHFFFAOYSA-N 2 0 336.439 3.202 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC001232146672 1376408248 /nfs/dbraw/zinc/40/82/48/1376408248.db2.gz XXMSHSJKUQZCSZ-UHFFFAOYSA-N 2 0 330.403 3.248 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1 ZINC001232144996 1376408855 /nfs/dbraw/zinc/40/88/55/1376408855.db2.gz REJMLHPTYBGSBL-UHFFFAOYSA-N 2 0 342.405 3.278 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(O)c4ncccc34)CC2)CC1 ZINC001232275717 1376429036 /nfs/dbraw/zinc/42/90/36/1376429036.db2.gz ACNRYTYOCKWNBS-UHFFFAOYSA-N 2 0 339.483 3.494 20 0 EGADRP FC(F)(F)c1ccc(C[N@H+]2CCc3nccn3CC2)c(Cl)n1 ZINC001232794679 1376515834 /nfs/dbraw/zinc/51/58/34/1376515834.db2.gz SQXQXKGPVBKIKE-UHFFFAOYSA-N 2 0 330.741 3.009 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134521105 1376574969 /nfs/dbraw/zinc/57/49/69/1376574969.db2.gz WERQRDPLCXRPNF-LSDHHAIUSA-N 2 0 337.533 3.262 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730035 1376682552 /nfs/dbraw/zinc/68/25/52/1376682552.db2.gz SCBYYZQNLIVDHB-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCC1CCC1 ZINC001134730332 1376683650 /nfs/dbraw/zinc/68/36/50/1376683650.db2.gz VIGXAEBBLNSDRI-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)cc1 ZINC001134772836 1376712099 /nfs/dbraw/zinc/71/20/99/1376712099.db2.gz IETSZQUBULKDKF-SJORKVTESA-N 2 0 347.547 3.352 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001134774531 1376714103 /nfs/dbraw/zinc/71/41/03/1376714103.db2.gz ZFRFLJXMQVKQSM-CVEARBPZSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCC1CC1 ZINC001134791014 1376723698 /nfs/dbraw/zinc/72/36/98/1376723698.db2.gz MOEWGEKXLPHXDA-CVEARBPZSA-N 2 0 337.552 3.312 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134887634 1376768314 /nfs/dbraw/zinc/76/83/14/1376768314.db2.gz DNMLSJGLLCPXBA-HUUCEWRRSA-N 2 0 330.476 3.257 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1)[NH2+]CC1CCCC1 ZINC001134888393 1376768662 /nfs/dbraw/zinc/76/86/62/1376768662.db2.gz MIRPMJJNHUFDOI-CABCVRRESA-N 2 0 328.460 3.011 20 0 EGADRP c1ccc(Cc2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235041530 1376838801 /nfs/dbraw/zinc/83/88/01/1376838801.db2.gz RFYAHEQDIUKVKS-FGZHOGPDSA-N 2 0 336.479 3.088 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179853 1376951659 /nfs/dbraw/zinc/95/16/59/1376951659.db2.gz AJNWOQFLSFFUCL-HZPDHXFCSA-N 2 0 349.494 3.073 20 0 EGADRP COc1ccccc1C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702003 1376961991 /nfs/dbraw/zinc/96/19/91/1376961991.db2.gz VZEJHOXBASVSCU-MXVIHJGJSA-N 3 0 345.531 3.157 20 0 EGADRP Cc1cc(N(C)C)ncc1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001241251621 1377019999 /nfs/dbraw/zinc/01/99/99/1377019999.db2.gz XWBPPXBYLRZUEK-UHFFFAOYSA-N 2 0 338.499 3.294 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccsc1)NC(=O)c1occc1C[NH+](C)C ZINC001135297916 1377026315 /nfs/dbraw/zinc/02/63/15/1377026315.db2.gz JRNOHKRNFJEUQJ-ZIAGYGMSSA-N 2 0 349.500 3.089 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCC1=CCCCC1 ZINC001135297907 1377026350 /nfs/dbraw/zinc/02/63/50/1377026350.db2.gz JQCIXSGMPUKVED-SJORKVTESA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1occc1C[NH+](C)C ZINC001135299085 1377027212 /nfs/dbraw/zinc/02/72/12/1377027212.db2.gz TXBAHQBRXFMMHU-HUUCEWRRSA-N 2 0 337.508 3.264 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1occc1C[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001135307305 1377029124 /nfs/dbraw/zinc/02/91/24/1377029124.db2.gz BZUAEPVQJHPTOV-CVEARBPZSA-N 2 0 347.503 3.328 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(Cl)s1)NC(=O)CCC[NH+](C)C ZINC001135315624 1377033801 /nfs/dbraw/zinc/03/38/01/1377033801.db2.gz QORZYHHLUQPBLK-STQMWFEESA-N 2 0 345.940 3.116 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135341399 1377046534 /nfs/dbraw/zinc/04/65/34/1377046534.db2.gz VAKBRKSOFFVTST-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP CCOC(=O)C[C@H]([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001246293510 1377050828 /nfs/dbraw/zinc/05/08/28/1377050828.db2.gz RYIHELCPGJOJPF-ROUUACIJSA-N 2 0 330.472 3.193 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCC(C)C)C[C@H](CC)[NH2+]1 ZINC001246292310 1377051034 /nfs/dbraw/zinc/05/10/34/1377051034.db2.gz JFEFZYQPHKCBII-RDGPPVDQSA-N 2 0 339.568 3.462 20 0 EGADRP NCC[N@H+]([C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246292378 1377051056 /nfs/dbraw/zinc/05/10/56/1377051056.db2.gz VYBRPPAIQOANRP-GBTVVVEBSA-N 2 0 331.548 3.138 20 0 EGADRP Fc1ccccc1CN([C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246937802 1377056279 /nfs/dbraw/zinc/05/62/79/1377056279.db2.gz NZEMPUAYOAEYJI-MSOLQXFVSA-N 2 0 331.479 3.054 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)N(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246938690 1377056320 /nfs/dbraw/zinc/05/63/20/1377056320.db2.gz SJHXXQDOZWFVPM-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP Cc1c(F)cccc1-c1noc([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247908191 1377065259 /nfs/dbraw/zinc/06/52/59/1377065259.db2.gz XVUZYXYCUQOHPB-CQSZACIVSA-N 2 0 344.434 3.116 20 0 EGADRP O[C@@]1(C[N@@H+]2CCCC3(CC(F)C3)CC2)CCN(Cc2ccccc2)C1 ZINC001252932892 1377093649 /nfs/dbraw/zinc/09/36/49/1377093649.db2.gz ZFFGQZNAALHORD-XVAXZDLZSA-N 2 0 346.490 3.228 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001135437107 1377096605 /nfs/dbraw/zinc/09/66/05/1377096605.db2.gz NOPPVIPFXNORKC-NTEUORMPSA-N 2 0 345.531 3.308 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001135437405 1377097955 /nfs/dbraw/zinc/09/79/55/1377097955.db2.gz ROIICLZRDUHIMH-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001135440309 1377098511 /nfs/dbraw/zinc/09/85/11/1377098511.db2.gz KXTFZHCRHYDZTM-RBUKOAKNSA-N 2 0 339.568 3.421 20 0 EGADRP C[N@@H+]1CCC[C@H](N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001254508483 1377104998 /nfs/dbraw/zinc/10/49/98/1377104998.db2.gz JMDRPRULDILQFV-QYCGMCSNSA-N 2 0 347.506 3.047 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001254508503 1377105256 /nfs/dbraw/zinc/10/52/56/1377105256.db2.gz JXAYLLSXFJRPHC-GOSISDBHSA-N 2 0 335.923 3.378 20 0 EGADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254509587 1377105775 /nfs/dbraw/zinc/10/57/75/1377105775.db2.gz PDFSKBTWZLXOTJ-CZUORRHYSA-N 2 0 325.294 3.454 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)C(C)C ZINC001135474021 1377109973 /nfs/dbraw/zinc/10/99/73/1377109973.db2.gz DOVHIPGEEBCOCB-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)c1ccccc1 ZINC001135474297 1377110029 /nfs/dbraw/zinc/11/00/29/1377110029.db2.gz MONYUHUSZVXEHG-OALUTQOASA-N 2 0 333.520 3.210 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CCC1CCCCCC1)C(C)C ZINC001135474019 1377110049 /nfs/dbraw/zinc/11/00/49/1377110049.db2.gz DNUWHKITIUIDNI-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CCOC(C)(C)C2)CC1 ZINC001255552047 1377111143 /nfs/dbraw/zinc/11/11/43/1377111143.db2.gz REANETSOCGXFCZ-IBGZPJMESA-N 2 0 339.568 3.074 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481800 1377113872 /nfs/dbraw/zinc/11/38/72/1377113872.db2.gz XQOWVCZOIAQMQK-IRXDYDNUSA-N 2 0 339.568 3.418 20 0 EGADRP CCCC(CCC)[N@@H+]1CCC[C@@]2(C1)COCCN(CCOC)C2 ZINC001257337780 1377114147 /nfs/dbraw/zinc/11/41/47/1377114147.db2.gz NBYCQIROKYLEAX-LJQANCHMSA-N 2 0 326.525 3.016 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135706028 1377190864 /nfs/dbraw/zinc/19/08/64/1377190864.db2.gz NMNORVJZNPYHNQ-KGLIPLIRSA-N 2 0 339.549 3.080 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135706035 1377190895 /nfs/dbraw/zinc/19/08/95/1377190895.db2.gz NWBOFBFKOMLBSN-MOPGFXCFSA-N 2 0 347.547 3.327 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135742906 1377199079 /nfs/dbraw/zinc/19/90/79/1377199079.db2.gz ATDMPRLWJAKGNP-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788497 1377211472 /nfs/dbraw/zinc/21/14/72/1377211472.db2.gz GVHJBTXCAMFOMR-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001135823798 1377222395 /nfs/dbraw/zinc/22/23/95/1377222395.db2.gz HXFKXDLHDPJKLE-SJORKVTESA-N 2 0 339.568 3.416 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001135860931 1377237986 /nfs/dbraw/zinc/23/79/86/1377237986.db2.gz JSVKNILUCOJQDG-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938036 1377269795 /nfs/dbraw/zinc/26/97/95/1377269795.db2.gz CUSMKBRHKVXXAC-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944524 1377272970 /nfs/dbraw/zinc/27/29/70/1377272970.db2.gz LADHUAQEIAPYRB-HUUCEWRRSA-N 2 0 334.508 3.070 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]C/C=C/c1ccccc1 ZINC001135961409 1377277551 /nfs/dbraw/zinc/27/75/51/1377277551.db2.gz PWSSWHMJCZTGDM-PBHHLJAZSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC001135962647 1377278454 /nfs/dbraw/zinc/27/84/54/1377278454.db2.gz ALOFDSHQABQZMU-FQEVSTJZSA-N 2 0 345.531 3.267 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001135973722 1377282335 /nfs/dbraw/zinc/28/23/35/1377282335.db2.gz COGPEVPIQLDBGS-ZWKOTPCHSA-N 2 0 333.520 3.100 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c(C)c1 ZINC001135973948 1377283072 /nfs/dbraw/zinc/28/30/72/1377283072.db2.gz FVURGXPCCGVFSL-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135995670 1377292105 /nfs/dbraw/zinc/29/21/05/1377292105.db2.gz JFOJGHIIPBUVRG-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001267085881 1377411281 /nfs/dbraw/zinc/41/12/81/1377411281.db2.gz KDUYXYWYANTDCS-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001267090250 1377411662 /nfs/dbraw/zinc/41/16/62/1377411662.db2.gz IAJNMOZXFGHGOO-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001267089895 1377411762 /nfs/dbraw/zinc/41/17/62/1377411762.db2.gz GSJYORJHHGAXPC-PMACEKPBSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001267603976 1377463762 /nfs/dbraw/zinc/46/37/62/1377463762.db2.gz BWMXCUQDMRKSRH-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3ccccc3N3CCCC3)CC2)cc[nH+]1 ZINC001138615303 1377753573 /nfs/dbraw/zinc/75/35/73/1377753573.db2.gz LHEGUUIERMAOBA-UHFFFAOYSA-N 2 0 336.483 3.312 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC001138772368 1377782466 /nfs/dbraw/zinc/78/24/66/1377782466.db2.gz IEMNJDLVKNWQKA-LJQANCHMSA-N 2 0 339.483 3.402 20 0 EGADRP CCCOc1ccccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001139001946 1377816417 /nfs/dbraw/zinc/81/64/17/1377816417.db2.gz NKOUFGQVDDKPGM-UHFFFAOYSA-N 2 0 335.536 3.181 20 0 EGADRP CCCn1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001139040209 1377821347 /nfs/dbraw/zinc/82/13/47/1377821347.db2.gz BNYBFFUXBBDCHH-UHFFFAOYSA-N 2 0 342.487 3.374 20 0 EGADRP CCn1ccc2c1cccc2C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001139151674 1377839204 /nfs/dbraw/zinc/83/92/04/1377839204.db2.gz IJSUNFHKZKLRBX-UHFFFAOYSA-N 2 0 342.531 3.121 20 0 EGADRP Nc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001139229563 1377856267 /nfs/dbraw/zinc/85/62/67/1377856267.db2.gz DCJOTCBOMSAZBY-DLBZAZTESA-N 2 0 342.512 3.069 20 0 EGADRP CN1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)s2)CC1 ZINC001139325637 1377868824 /nfs/dbraw/zinc/86/88/24/1377868824.db2.gz VSLMHCMQODIEJB-GOSISDBHSA-N 2 0 348.560 3.440 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc(O)ccc1F ZINC001140051859 1377996713 /nfs/dbraw/zinc/99/67/13/1377996713.db2.gz VNTRZBYZEPQUPD-UHFFFAOYSA-N 2 0 339.499 3.017 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140143763 1378019446 /nfs/dbraw/zinc/01/94/46/1378019446.db2.gz URUAOEHBPUFVTI-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3cnc(-c4ccccc4F)nc3)C2)CC1 ZINC001140405238 1378057434 /nfs/dbraw/zinc/05/74/34/1378057434.db2.gz MUTXIQNFRSKMEE-UHFFFAOYSA-N 2 0 340.446 3.200 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001140413049 1378059095 /nfs/dbraw/zinc/05/90/95/1378059095.db2.gz KBDMNKCCSYRPTH-UHFFFAOYSA-N 2 0 342.874 3.325 20 0 EGADRP CC(C)=CCNC(=O)[C@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272716374 1378079352 /nfs/dbraw/zinc/07/93/52/1378079352.db2.gz FGLFBNNQDOTWLL-LJQANCHMSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@@H](C)N1CC2(CCC1=O)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272717640 1378080821 /nfs/dbraw/zinc/08/08/21/1378080821.db2.gz YGQXVDWUIKATLH-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)ccc1O ZINC001140574660 1378087211 /nfs/dbraw/zinc/08/72/11/1378087211.db2.gz MNWPADKXDBZPTA-UHFFFAOYSA-N 2 0 332.488 3.025 20 0 EGADRP Cc1cc(F)ccc1CN1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140779649 1378134187 /nfs/dbraw/zinc/13/41/87/1378134187.db2.gz VDNZCEVHTJADDE-FQEVSTJZSA-N 2 0 334.479 3.457 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC001275633156 1378149012 /nfs/dbraw/zinc/14/90/12/1378149012.db2.gz WBJHZYMYEMQUBB-UHFFFAOYSA-N 2 0 345.531 3.278 20 0 EGADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Oc4ncccn4)cc3)(C1)CCC2 ZINC001275721646 1378153013 /nfs/dbraw/zinc/15/30/13/1378153013.db2.gz KMURXXSOKKQDBX-VQTJNVASSA-N 2 0 338.455 3.423 20 0 EGADRP c1cc(C[NH+]2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)cs1 ZINC001275867220 1378160365 /nfs/dbraw/zinc/16/03/65/1378160365.db2.gz ZBYUYTRCMZYRAB-UHFFFAOYSA-N 2 0 330.501 3.349 20 0 EGADRP Fc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001276336687 1378172122 /nfs/dbraw/zinc/17/21/22/1378172122.db2.gz PUNLNEHWWBVIFB-UHFFFAOYSA-N 2 0 328.435 3.037 20 0 EGADRP CCCCc1ccc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)cc1 ZINC001276336159 1378172266 /nfs/dbraw/zinc/17/22/66/1378172266.db2.gz FGBCJKVFXOGNHF-UHFFFAOYSA-N 2 0 329.532 3.099 20 0 EGADRP CS[C@H](C)CC[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276470686 1378174303 /nfs/dbraw/zinc/17/43/03/1378174303.db2.gz PTIREUNJZPCQLZ-MRXNPFEDSA-N 2 0 336.549 3.229 20 0 EGADRP Cc1ccc(CC[N@@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001140971441 1378195667 /nfs/dbraw/zinc/19/56/67/1378195667.db2.gz VTPVMZBXZZKZFL-UHFFFAOYSA-N 2 0 337.511 3.421 20 0 EGADRP Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH+](C)C4)C3)cc2)n1 ZINC001277254625 1378213579 /nfs/dbraw/zinc/21/35/79/1378213579.db2.gz VKLAGQLMLLZRNC-NRFANRHFSA-N 2 0 338.499 3.395 20 0 EGADRP NC(=O)CCCCC[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001278218060 1378264750 /nfs/dbraw/zinc/26/47/50/1378264750.db2.gz RSBNKKARMIAWAD-HXUWFJFHSA-N 2 0 335.536 3.153 20 0 EGADRP FC1CC[NH+](C2CCN(Cc3cccc(-n4ccnc4)c3)CC2)CC1 ZINC001141243089 1378281369 /nfs/dbraw/zinc/28/13/69/1378281369.db2.gz VHESOXQYSXEIDY-UHFFFAOYSA-N 2 0 342.462 3.271 20 0 EGADRP CN(C)c1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141266440 1378287992 /nfs/dbraw/zinc/28/79/92/1378287992.db2.gz SVMFLCYPRINNRV-SFTDATJTSA-N 2 0 335.495 3.316 20 0 EGADRP COc1ccsc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001141318589 1378300668 /nfs/dbraw/zinc/30/06/68/1378300668.db2.gz SOYRDOXGRVZWHW-UHFFFAOYSA-N 2 0 338.517 3.081 20 0 EGADRP CC(C)(C)c1nc[nH]c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001142209773 1378420447 /nfs/dbraw/zinc/42/04/47/1378420447.db2.gz UVZOZYRUJYXMCA-UHFFFAOYSA-N 2 0 348.535 3.032 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(C(=O)OC)o3)CC2)CC1 ZINC001142639522 1378467332 /nfs/dbraw/zinc/46/73/32/1378467332.db2.gz KDZRYFQZNMCKHZ-UHFFFAOYSA-N 2 0 348.487 3.400 20 0 EGADRP Cn1nc(-c2ccccc2)cc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001143016108 1378525671 /nfs/dbraw/zinc/52/56/71/1378525671.db2.gz UEVIIPPMRDIWFK-UHFFFAOYSA-N 2 0 338.499 3.395 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001143242647 1378567971 /nfs/dbraw/zinc/56/79/71/1378567971.db2.gz HYBQQFMWTFEMEZ-UHFFFAOYSA-N 2 0 325.447 3.084 20 0 EGADRP C[C@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001282740488 1378590986 /nfs/dbraw/zinc/59/09/86/1378590986.db2.gz OYLBFKZYJUWQRS-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001147348161 1379007377 /nfs/dbraw/zinc/00/73/77/1379007377.db2.gz GCTMLRIESUEYLL-DBBZSVRUSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001283621427 1379060406 /nfs/dbraw/zinc/06/04/06/1379060406.db2.gz KPWCTPSBMVYINM-QFBILLFUSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001147893539 1379098151 /nfs/dbraw/zinc/09/81/51/1379098151.db2.gz RFUKKAGSLULYGL-SJORKVTESA-N 2 0 345.531 3.093 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017575 1379106636 /nfs/dbraw/zinc/10/66/36/1379106636.db2.gz TUAFYQQLYRKQIN-SREVYHEPSA-N 2 0 347.547 3.142 20 0 EGADRP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001148458134 1379175648 /nfs/dbraw/zinc/17/56/48/1379175648.db2.gz KMFBNUQAEYIYDQ-VQHVLOKHSA-N 2 0 349.563 3.389 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001148583469 1379217294 /nfs/dbraw/zinc/21/72/94/1379217294.db2.gz LHJKOUKLVLGJJE-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001148643195 1379233238 /nfs/dbraw/zinc/23/32/38/1379233238.db2.gz UPQQXVAPDLQGNF-INIZCTEOSA-N 2 0 333.520 3.093 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148812931 1379274271 /nfs/dbraw/zinc/27/42/71/1379274271.db2.gz ZGNNGNICXIQLDZ-SMJNTDKHSA-N 2 0 347.547 3.140 20 0 EGADRP O=C(NCC1CC[NH+](C2CCCCC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001151904907 1379813813 /nfs/dbraw/zinc/81/38/13/1379813813.db2.gz SXJQJSRQVQKYEZ-UHFFFAOYSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001152245841 1379893726 /nfs/dbraw/zinc/89/37/26/1379893726.db2.gz NOUZLAWBCKRLJO-MSOLQXFVSA-N 2 0 345.531 3.284 20 0 EGADRP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313884 1380053654 /nfs/dbraw/zinc/05/36/54/1380053654.db2.gz YZESJZNCIXFBKP-APWZRJJASA-N 2 0 349.494 3.025 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368703 1380065823 /nfs/dbraw/zinc/06/58/23/1380065823.db2.gz VRBOGZJOOSBKAH-QGZVFWFLSA-N 2 0 343.531 3.217 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153720562 1380118512 /nfs/dbraw/zinc/11/85/12/1380118512.db2.gz KPTNYBWTTAHROK-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C ZINC001153728946 1380119364 /nfs/dbraw/zinc/11/93/64/1380119364.db2.gz VTQMEXHZAJOYRV-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823813 1380137348 /nfs/dbraw/zinc/13/73/48/1380137348.db2.gz AGTBPPIELWHJBB-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153823894 1380137585 /nfs/dbraw/zinc/13/75/85/1380137585.db2.gz CSWJWINRPSGFAS-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828627 1380138805 /nfs/dbraw/zinc/13/88/05/1380138805.db2.gz OWVVZBSIHWUPPP-QGZVFWFLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879311 1380148316 /nfs/dbraw/zinc/14/83/16/1380148316.db2.gz FRLHRTNKQYZXJW-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879281 1380148381 /nfs/dbraw/zinc/14/83/81/1380148381.db2.gz DFWGOHRHAVGHIN-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880087 1380149092 /nfs/dbraw/zinc/14/90/92/1380149092.db2.gz XBIQCBBOOFWWQW-SJLPKXTDSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153891202 1380149869 /nfs/dbraw/zinc/14/98/69/1380149869.db2.gz QRTQHODZIJVGMR-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990489 1380171158 /nfs/dbraw/zinc/17/11/58/1380171158.db2.gz IBDMGNZPIJXNNQ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990769 1380172277 /nfs/dbraw/zinc/17/22/77/1380172277.db2.gz QZIHHZVYPROBKZ-HPFMTEOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)sc1C)[NH+](C)C ZINC001154009361 1380177814 /nfs/dbraw/zinc/17/78/14/1380177814.db2.gz LJFGFWVOKJAIJD-CXAGYDPISA-N 2 0 339.549 3.032 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033996 1380187406 /nfs/dbraw/zinc/18/74/06/1380187406.db2.gz SJRUDYRITOWFNO-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H](F)C[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154482072 1380286400 /nfs/dbraw/zinc/28/64/00/1380286400.db2.gz YBZHXLOOMMPPLN-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155619918 1380474938 /nfs/dbraw/zinc/47/49/38/1380474938.db2.gz CAEZHWRATWHXQS-QZTJIDSGSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001155811895 1380494363 /nfs/dbraw/zinc/49/43/63/1380494363.db2.gz LIAZCVYRYCMJLQ-VQIMIIECSA-N 2 0 345.531 3.235 20 0 EGADRP Cc1cc(N2CCCC2)nc(NCc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC001156044318 1380515985 /nfs/dbraw/zinc/51/59/85/1380515985.db2.gz MNWOPQSKTOBJIB-UHFFFAOYSA-N 2 0 325.460 3.059 20 0 EGADRP CC[NH+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194575 1380539904 /nfs/dbraw/zinc/53/99/04/1380539904.db2.gz STYMOFBIFPIQII-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194860 1380539975 /nfs/dbraw/zinc/53/99/75/1380539975.db2.gz ZMZAJOXWNALJMQ-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@H+](CC)C/C=C/Cl ZINC001156318452 1380557383 /nfs/dbraw/zinc/55/73/83/1380557383.db2.gz BDNMQKFUDBWYJD-QXLXQBSBSA-N 2 0 345.959 3.468 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CCC(C)(C)CC1 ZINC001156530466 1380589383 /nfs/dbraw/zinc/58/93/83/1380589383.db2.gz PIBHHBTXMTTYLV-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cn1ccnc1C ZINC001156942277 1380735550 /nfs/dbraw/zinc/73/55/50/1380735550.db2.gz IXWOFJHPBBKDBM-MRXNPFEDSA-N 2 0 348.535 3.235 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961418 1380738456 /nfs/dbraw/zinc/73/84/56/1380738456.db2.gz QSDDOOUEMISULB-LIXSYLKWSA-N 2 0 337.552 3.435 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157098659 1380774934 /nfs/dbraw/zinc/77/49/34/1380774934.db2.gz RKQSEDLHIRCPQW-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[NH+]1CC(Nc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001157526008 1380955795 /nfs/dbraw/zinc/95/57/95/1380955795.db2.gz MQDOEQZQPBHORS-UHFFFAOYSA-N 2 0 336.483 3.144 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N[C@H]3CCCc4cccnc43)c2)CC1 ZINC001157852324 1381051886 /nfs/dbraw/zinc/05/18/86/1381051886.db2.gz SWHZDHPCFAYYJT-SFHVURJKSA-N 2 0 338.455 3.439 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001157893816 1381064007 /nfs/dbraw/zinc/06/40/07/1381064007.db2.gz NNGVYOCOTDFKSB-WOJBJXKFSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCCC2CCC2)CC[N@@H+]1C ZINC001157978375 1381090737 /nfs/dbraw/zinc/09/07/37/1381090737.db2.gz TXXDCFRAYBBGCX-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001158029118 1381107065 /nfs/dbraw/zinc/10/70/65/1381107065.db2.gz FPRBLDMMWZQVTF-MSOLQXFVSA-N 2 0 343.531 3.025 20 0 EGADRP C[C@@H]([NH3+])c1cccc(C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001158043981 1381110231 /nfs/dbraw/zinc/11/02/31/1381110231.db2.gz ANWQRZDMYXRAIS-UZLBHIALSA-N 2 0 329.488 3.092 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158098275 1381126659 /nfs/dbraw/zinc/12/66/59/1381126659.db2.gz GUUSRXLQSVSWCH-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001158310895 1381194900 /nfs/dbraw/zinc/19/49/00/1381194900.db2.gz MDQCXRNGOQWBDT-IPMKNSEASA-N 2 0 337.552 3.076 20 0 EGADRP CCc1ccccc1C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158445769 1381248496 /nfs/dbraw/zinc/24/84/96/1381248496.db2.gz PTAWGRYQIWPKNY-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C)[NH+](CC)CC ZINC001158491047 1381266190 /nfs/dbraw/zinc/26/61/90/1381266190.db2.gz GDVVJKYYOPOKQI-MSOLQXFVSA-N 2 0 325.541 3.076 20 0 EGADRP C[NH+]1CCC(N(c2cc(Cl)cc(Cl)n2)C2CC[NH2+]CC2)CC1 ZINC001158575083 1381306489 /nfs/dbraw/zinc/30/64/89/1381306489.db2.gz JCMKBGADKRWHOQ-UHFFFAOYSA-N 2 0 343.302 3.041 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158767974 1381390156 /nfs/dbraw/zinc/39/01/56/1381390156.db2.gz BGZDSILWAFIKNV-LIXSYLKWSA-N 2 0 337.552 3.388 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922925 1381465139 /nfs/dbraw/zinc/46/51/39/1381465139.db2.gz NIXAXKTWAYODSU-CSHXORCISA-N 2 0 337.552 3.386 20 0 EGADRP c1nn(C2CC[NH2+]CC2)cc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159117961 1381607869 /nfs/dbraw/zinc/60/78/69/1381607869.db2.gz QEFSEAGTSDLCFK-UHFFFAOYSA-N 2 0 325.460 3.018 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)cn2)CC1 ZINC001159131706 1381637798 /nfs/dbraw/zinc/63/77/98/1381637798.db2.gz VBGZUEMBMQZYHK-IBGZPJMESA-N 2 0 337.471 3.002 20 0 EGADRP CC(C)(C)OC(=O)c1c(Nc2cc[nH+]c(N)c2)sc2c1CC[NH2+]C2 ZINC001159271427 1381748867 /nfs/dbraw/zinc/74/88/67/1381748867.db2.gz FPQFMAURBITOFN-UHFFFAOYSA-N 2 0 346.456 3.070 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c1F ZINC001159344889 1381772299 /nfs/dbraw/zinc/77/22/99/1381772299.db2.gz WAMCBYAJQLZKDH-UHFFFAOYSA-N 2 0 344.434 3.062 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3ccc4c(c3)CC[NH2+]C4)cc2)CC1 ZINC001159448937 1381797100 /nfs/dbraw/zinc/79/71/00/1381797100.db2.gz BIHXRBARRKUHKT-UHFFFAOYSA-N 2 0 336.483 3.218 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(Nc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001159507671 1381811833 /nfs/dbraw/zinc/81/18/33/1381811833.db2.gz FUSYABHBBRLNQX-UHFFFAOYSA-N 2 0 336.483 3.436 20 0 EGADRP c1[nH+]cn(Cc2ccccc2)c1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159570666 1381833017 /nfs/dbraw/zinc/83/30/17/1381833017.db2.gz AEMWABMIMMCYRW-UHFFFAOYSA-N 2 0 347.466 3.080 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2=CCCCC2)CC1 ZINC001159628360 1381852790 /nfs/dbraw/zinc/85/27/90/1381852790.db2.gz GVSOAIPMTYDTOQ-FQEVSTJZSA-N 2 0 345.531 3.110 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1nc(-c2ccccc2F)nc2ccc(F)cc21 ZINC001159783088 1381899212 /nfs/dbraw/zinc/89/92/12/1381899212.db2.gz BDKPXUWOWYNTNY-MRXNPFEDSA-N 2 0 343.381 3.011 20 0 EGADRP Cc1ccc2nc(-c3ccccc3F)nc(N[C@@H]([NH3+])CCC[NH3+])c2c1 ZINC001159787095 1381900188 /nfs/dbraw/zinc/90/01/88/1381900188.db2.gz RIEUAAFPYZMPEV-QGZVFWFLSA-N 2 0 339.418 3.180 20 0 EGADRP c1ccc(N2CC[NH2+]CC2)c(Nc2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001159814870 1381909299 /nfs/dbraw/zinc/90/92/99/1381909299.db2.gz VWWXJSSBIKGUCI-UHFFFAOYSA-N 2 0 336.483 3.307 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC001159823239 1381911487 /nfs/dbraw/zinc/91/14/87/1381911487.db2.gz VYMDNGRFRUJOQY-VQTJNVASSA-N 2 0 345.531 3.212 20 0 EGADRP Cc1cc(N)[nH+]cc1Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001159889784 1381928795 /nfs/dbraw/zinc/92/87/95/1381928795.db2.gz UVCAWSOKUIOAMM-UHFFFAOYSA-N 2 0 330.407 3.233 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907911 1381934010 /nfs/dbraw/zinc/93/40/10/1381934010.db2.gz FIDLVMMXMPANNL-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001159907618 1381934606 /nfs/dbraw/zinc/93/46/06/1381934606.db2.gz BUEIDUYQHSPCFE-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001159909809 1381934733 /nfs/dbraw/zinc/93/47/33/1381934733.db2.gz NOSQYLAWKAYJHK-VQTJNVASSA-N 2 0 345.531 3.497 20 0 EGADRP CNc1cc(Nc2ccc(Br)c3c2C[NH2+]CC3)cc[nH+]1 ZINC001159942625 1381943667 /nfs/dbraw/zinc/94/36/67/1381943667.db2.gz KKNLYWGQJQDKOW-UHFFFAOYSA-N 2 0 333.233 3.275 20 0 EGADRP CC[NH2+]Cc1cccc(Nc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC001159955943 1381948975 /nfs/dbraw/zinc/94/89/75/1381948975.db2.gz ADVNYNCJHUDONO-UHFFFAOYSA-N 2 0 338.499 3.287 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001159997837 1381963558 /nfs/dbraw/zinc/96/35/58/1381963558.db2.gz ZWKGGYKPJSRHKA-KRWDZBQOSA-N 2 0 345.531 3.451 20 0 EGADRP Fc1ccc(N2CC[NH2+]CC2)c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001160053015 1381982563 /nfs/dbraw/zinc/98/25/63/1381982563.db2.gz QQLFMJGIXJNISA-GOSISDBHSA-N 2 0 340.446 3.403 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160121326 1382004053 /nfs/dbraw/zinc/00/40/53/1382004053.db2.gz WWXIZFNSAFNBPZ-UUKMXZOPSA-N 2 0 347.547 3.044 20 0 EGADRP Cc1[nH]c2ccc(Nc3cccc(F)c3O[C@@H]3CC[NH2+]C3)cc2[nH+]1 ZINC001160185540 1382028390 /nfs/dbraw/zinc/02/83/90/1382028390.db2.gz XEPOCTDQGRCRPM-CYBMUJFWSA-N 2 0 326.375 3.495 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001160274458 1382058455 /nfs/dbraw/zinc/05/84/55/1382058455.db2.gz SPWYBFFZOZZDJO-OALUTQOASA-N 2 0 345.531 3.335 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001160274492 1382058573 /nfs/dbraw/zinc/05/85/73/1382058573.db2.gz UIMRDDSUQPJCKQ-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1)C1CC1 ZINC001160359948 1382082580 /nfs/dbraw/zinc/08/25/80/1382082580.db2.gz HDHVIFOIQKSWPI-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP c1cc2c(c(Nc3ccc(C4CC[NH2+]CC4)cc3)c1)[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160400269 1382094849 /nfs/dbraw/zinc/09/48/49/1382094849.db2.gz QXADPJSIXQFZCU-PXNSSMCTSA-N 2 0 335.451 3.345 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001160473729 1382117197 /nfs/dbraw/zinc/11/71/97/1382117197.db2.gz NJHRDVUPFYVXGH-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP [NH3+]C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)CC1 ZINC001160513945 1382127323 /nfs/dbraw/zinc/12/73/23/1382127323.db2.gz LWPBCTGARUDPMF-SFHVURJKSA-N 2 0 349.906 3.207 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787711 1382195892 /nfs/dbraw/zinc/19/58/92/1382195892.db2.gz QIGQWGVSUGXRBH-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CSc1nc2sccc2c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160944258 1382246214 /nfs/dbraw/zinc/24/62/14/1382246214.db2.gz AXUSRFVQNXKEEQ-UHFFFAOYSA-N 2 0 341.465 3.253 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986387 1382262532 /nfs/dbraw/zinc/26/25/32/1382262532.db2.gz RYXCDAJEDFYBSU-FQEVSTJZSA-N 2 0 349.563 3.437 20 0 EGADRP Cc1cc(C[NH2+]CCCNC(=O)c2cc3c[nH]ccc-3n2)c(C)s1 ZINC001160990063 1382263709 /nfs/dbraw/zinc/26/37/09/1382263709.db2.gz CIIIUUNPXUXODP-UHFFFAOYSA-N 2 0 342.468 3.151 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC2=CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC001161008520 1382269662 /nfs/dbraw/zinc/26/96/62/1382269662.db2.gz PRYLLZQAXPBQQL-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383400 1382391997 /nfs/dbraw/zinc/39/19/97/1382391997.db2.gz WHRLIPAETIEBGS-IBGZPJMESA-N 2 0 347.547 3.356 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383401 1382392133 /nfs/dbraw/zinc/39/21/33/1382392133.db2.gz WHRLIPAETIEBGS-LJQANCHMSA-N 2 0 347.547 3.356 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001161530352 1382431335 /nfs/dbraw/zinc/43/13/35/1382431335.db2.gz XCGUURFQOYGACG-FHLIZLRMSA-N 2 0 349.906 3.205 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)CC1 ZINC001161621884 1382461833 /nfs/dbraw/zinc/46/18/33/1382461833.db2.gz DAIICPQROFGBLG-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622878 1382463420 /nfs/dbraw/zinc/46/34/20/1382463420.db2.gz VUWUJHGKAAKXGS-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161649488 1382470575 /nfs/dbraw/zinc/47/05/75/1382470575.db2.gz JUEWTLXIJNDUBC-ICSRJNTNSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683014 1382480510 /nfs/dbraw/zinc/48/05/10/1382480510.db2.gz IHSUUZLHQRZAOP-HXUWFJFHSA-N 2 0 343.515 3.228 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161699225 1382483855 /nfs/dbraw/zinc/48/38/55/1382483855.db2.gz OKDJWKFCURRHJQ-XJDXJNMNSA-N 2 0 347.547 3.213 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC001161795838 1382508164 /nfs/dbraw/zinc/50/81/64/1382508164.db2.gz SEKNIRRJOJBVGY-HNNXBMFYSA-N 2 0 349.906 3.125 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001161873134 1382535838 /nfs/dbraw/zinc/53/58/38/1382535838.db2.gz SZJBOSMQECKEAV-SJORKVTESA-N 2 0 342.487 3.260 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952041 1382566843 /nfs/dbraw/zinc/56/68/43/1382566843.db2.gz AWUPUTVSFMMXMH-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953007 1382568586 /nfs/dbraw/zinc/56/85/86/1382568586.db2.gz OKEOERNUJGBMAG-IEBWSBKVSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994030 1382592556 /nfs/dbraw/zinc/59/25/56/1382592556.db2.gz PKJDVOMAVCFPAO-IBGZPJMESA-N 2 0 349.563 3.437 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328682466 1388805264 /nfs/dbraw/zinc/80/52/64/1388805264.db2.gz VCTQMNYKGXGJOS-KOLCDFICSA-N 2 0 336.329 3.106 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580608 1382797841 /nfs/dbraw/zinc/79/78/41/1382797841.db2.gz VUJPXEDASWAQEK-QFBILLFUSA-N 2 0 334.483 3.350 20 0 EGADRP Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)n1 ZINC001162904311 1382911173 /nfs/dbraw/zinc/91/11/73/1382911173.db2.gz VNXQBJXVIGUWTH-GUYCJALGSA-N 2 0 335.455 3.216 20 0 EGADRP CC[C@@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906245 1382911806 /nfs/dbraw/zinc/91/18/06/1382911806.db2.gz GQXMPZHRKLHPOE-LJQANCHMSA-N 2 0 347.547 3.035 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)c1 ZINC001162910208 1382913536 /nfs/dbraw/zinc/91/35/36/1382913536.db2.gz QXGSUSHQATUKEV-SUMWQHHRSA-N 2 0 346.438 3.117 20 0 EGADRP C[N@@H+]1CC[C@@H](c2ccc(NCC[C@H]3C[NH2+]Cc4cccn4C3)cc2)C1 ZINC001163065313 1382959824 /nfs/dbraw/zinc/95/98/24/1382959824.db2.gz MACFLQJPXZKUEN-PKOBYXMFSA-N 2 0 338.499 3.129 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc2c(C)ccc(F)c2cc1C ZINC001163128621 1382972076 /nfs/dbraw/zinc/97/20/76/1382972076.db2.gz NMVHNZAKMLPNAI-UHFFFAOYSA-N 2 0 331.439 3.269 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)cc2cc(OC)ccc21 ZINC001163128579 1382972367 /nfs/dbraw/zinc/97/23/67/1382972367.db2.gz LWQSLRTZASLCEN-UHFFFAOYSA-N 2 0 349.866 3.175 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163223982 1382997771 /nfs/dbraw/zinc/99/77/71/1382997771.db2.gz PMXFGVJCBHUHGB-YLJYHZDGSA-N 2 0 343.515 3.026 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1 ZINC001163241931 1383003420 /nfs/dbraw/zinc/00/34/20/1383003420.db2.gz FMBACYUSISQKOR-FXAWDEMLSA-N 2 0 343.515 3.026 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC001163290765 1383013225 /nfs/dbraw/zinc/01/32/25/1383013225.db2.gz PFPAZSWCJMDTFU-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC001163290767 1383013323 /nfs/dbraw/zinc/01/33/23/1383013323.db2.gz PFPAZSWCJMDTFU-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP C[NH+](C)CC1CCC(Nc2cccc(OCC[NH+]3CCCC3)n2)CC1 ZINC001163302048 1383016434 /nfs/dbraw/zinc/01/64/34/1383016434.db2.gz YDVHQAQHQCOCPU-UHFFFAOYSA-N 2 0 346.519 3.089 20 0 EGADRP C[NH+](C)/C=C/c1ccncc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163916873 1383135339 /nfs/dbraw/zinc/13/53/39/1383135339.db2.gz QWWBXPOSRCHULO-MDWZMJQESA-N 2 0 337.471 3.088 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001164456277 1383188517 /nfs/dbraw/zinc/18/85/17/1383188517.db2.gz OTBMKPARNUHWJI-LJQANCHMSA-N 2 0 335.536 3.095 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2ccccc2F)C1 ZINC001164456582 1383188748 /nfs/dbraw/zinc/18/87/48/1383188748.db2.gz VOEKVCWFKFDJDR-SJORKVTESA-N 2 0 349.494 3.105 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164513395 1383194949 /nfs/dbraw/zinc/19/49/49/1383194949.db2.gz CKMCAAPAEWMVMV-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH3+])C(F)(F)C2)nc1 ZINC001165127125 1383233614 /nfs/dbraw/zinc/23/36/14/1383233614.db2.gz CMYVZURXGJEJQV-CVEARBPZSA-N 2 0 338.446 3.191 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2ccnc2[C@H]2CCC[NH2+]C2)nc1 ZINC001165144284 1383236504 /nfs/dbraw/zinc/23/65/04/1383236504.db2.gz QSLGXGGHYVFZLF-ROUUACIJSA-N 2 0 339.487 3.281 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001165245721 1383257314 /nfs/dbraw/zinc/25/73/14/1383257314.db2.gz CYWXYEUDFNKHMJ-DLBZAZTESA-N 2 0 349.519 3.267 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001165421323 1383291979 /nfs/dbraw/zinc/29/19/79/1383291979.db2.gz NDCAILCTBUPUBU-NQIIRXRSSA-N 2 0 332.451 3.157 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165617093 1383315705 /nfs/dbraw/zinc/31/57/05/1383315705.db2.gz IJBWHIGKITZCKX-ROUUACIJSA-N 2 0 339.568 3.131 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165736030 1383335276 /nfs/dbraw/zinc/33/52/76/1383335276.db2.gz GTJIHHFOIYNEMV-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165975756 1383372640 /nfs/dbraw/zinc/37/26/40/1383372640.db2.gz DNNTXPVZFTWGNL-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391624 1383418290 /nfs/dbraw/zinc/41/82/90/1383418290.db2.gz WXVGXPNPEJQGNM-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1)[NH+](CC)CC ZINC001166447083 1383423607 /nfs/dbraw/zinc/42/36/07/1383423607.db2.gz HHRSELIKAZYKIT-HKUYNNGSSA-N 2 0 333.520 3.272 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166686669 1383460606 /nfs/dbraw/zinc/46/06/06/1383460606.db2.gz BOLAAHDWVKMKQS-LJQANCHMSA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736910 1383468640 /nfs/dbraw/zinc/46/86/40/1383468640.db2.gz WEQBBTXXOLORKV-SFHVURJKSA-N 2 0 347.547 3.182 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]Cc1cc2ccccc2o1)CC(C)(C)C ZINC001166743971 1383470027 /nfs/dbraw/zinc/47/00/27/1383470027.db2.gz BFKYBKGKQSHCEC-UHFFFAOYSA-N 2 0 345.487 3.007 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793407 1383478273 /nfs/dbraw/zinc/47/82/73/1383478273.db2.gz MNYCQCLOYSRYLB-VOFKWLDRSA-N 2 0 349.563 3.341 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001166870315 1383490575 /nfs/dbraw/zinc/49/05/75/1383490575.db2.gz ZKXPPPGALCMKDM-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@H]([NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001166985582 1383509720 /nfs/dbraw/zinc/50/97/20/1383509720.db2.gz BUGBQXCGKJNTJF-SFHVURJKSA-N 2 0 349.494 3.105 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167223892 1383569963 /nfs/dbraw/zinc/56/99/63/1383569963.db2.gz CXUXEYUHBAHGEL-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001167232856 1383571589 /nfs/dbraw/zinc/57/15/89/1383571589.db2.gz SDWXQEFJHFLLOB-SFHVURJKSA-N 2 0 347.547 3.095 20 0 EGADRP COc1cc2[nH+]ccc(-n3ccc4cc(C[NH3+])cnc43)c2cc1OC ZINC001167311112 1383592945 /nfs/dbraw/zinc/59/29/45/1383592945.db2.gz BOKSWFZJAVIWRB-UHFFFAOYSA-N 2 0 334.379 3.050 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385621 1383618707 /nfs/dbraw/zinc/61/87/07/1383618707.db2.gz LIIZXBHJQYIKFU-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001167619827 1383690359 /nfs/dbraw/zinc/69/03/59/1383690359.db2.gz KYTWEPMSJSKOTE-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001167667722 1383704745 /nfs/dbraw/zinc/70/47/45/1383704745.db2.gz MACRSJSORFIJBU-QZTJIDSGSA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001301660864 1383725439 /nfs/dbraw/zinc/72/54/39/1383725439.db2.gz HLGAFBJXZCHZKR-ROUUACIJSA-N 2 0 349.906 3.077 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001167742833 1383727241 /nfs/dbraw/zinc/72/72/41/1383727241.db2.gz YVHVEJMAJKZOEL-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCCCN2C(C)=O)CC1 ZINC001167822849 1383748528 /nfs/dbraw/zinc/74/85/28/1383748528.db2.gz AGYSMCLVHUBBKP-GOSISDBHSA-N 2 0 337.552 3.364 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167824311 1383749534 /nfs/dbraw/zinc/74/95/34/1383749534.db2.gz DJNSATXRKYMDTL-IAGOWNOFSA-N 2 0 341.540 3.438 20 0 EGADRP c1ncn(CC2CCC2)c1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167975203 1383784543 /nfs/dbraw/zinc/78/45/43/1383784543.db2.gz MAICHHMYUDCTLO-YQQQUEKLSA-N 2 0 328.504 3.178 20 0 EGADRP O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1Cc1ccccc1 ZINC001167989003 1383789037 /nfs/dbraw/zinc/78/90/37/1383789037.db2.gz RRFYAGNWXXUEHV-INSZXGISSA-N 2 0 340.511 3.070 20 0 EGADRP CCCCOC(=O)[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002801 1383793445 /nfs/dbraw/zinc/79/34/45/1383793445.db2.gz YMGRCSUSWVXZAU-KAKFPZCNSA-N 2 0 334.504 3.057 20 0 EGADRP C[C@H]1CC(NC[C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168013571 1383797115 /nfs/dbraw/zinc/79/71/15/1383797115.db2.gz IBRWFXNIONSBMX-CMKODMSKSA-N 2 0 329.532 3.359 20 0 EGADRP CCOC(=O)[C@H](C)C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029672 1383800329 /nfs/dbraw/zinc/80/03/29/1383800329.db2.gz UMLPZAWVPKLRTD-IKGGRYGDSA-N 2 0 332.488 3.217 20 0 EGADRP C[C@@H]1CC(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059280 1383806686 /nfs/dbraw/zinc/80/66/86/1383806686.db2.gz DCSZNCPGSKGDSJ-MKXGPGLRSA-N 2 0 329.532 3.452 20 0 EGADRP CCC[NH+]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168058843 1383807517 /nfs/dbraw/zinc/80/75/17/1383807517.db2.gz CSMNWSVSYCVWHU-RTBURBONSA-N 2 0 329.532 3.456 20 0 EGADRP Cc1nc2c(n1[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C[NH2+]CC2 ZINC001168065305 1383808220 /nfs/dbraw/zinc/80/82/20/1383808220.db2.gz VOUXBFWIOKSHQK-HGKCTWBKSA-N 2 0 338.499 3.451 20 0 EGADRP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@H](C)C1 ZINC001168091823 1383814415 /nfs/dbraw/zinc/81/44/15/1383814415.db2.gz BPQLIBQUNKULTN-OWYHZJEWSA-N 2 0 332.488 3.335 20 0 EGADRP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@@H](C)C1 ZINC001168091821 1383814928 /nfs/dbraw/zinc/81/49/28/1383814928.db2.gz BPQLIBQUNKULTN-DSLXNQLJSA-N 2 0 332.488 3.335 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001168162209 1383829419 /nfs/dbraw/zinc/82/94/19/1383829419.db2.gz HCIYNPQQIMNNTB-SFHVURJKSA-N 2 0 343.515 3.028 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168179348 1383835659 /nfs/dbraw/zinc/83/56/59/1383835659.db2.gz JJSHZFYDUNBAJA-HNNXBMFYSA-N 2 0 340.895 3.088 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168200869 1383842268 /nfs/dbraw/zinc/84/22/68/1383842268.db2.gz VYCTUBIILLKGRR-ONEGZZNKSA-N 2 0 349.563 3.485 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001168257192 1383855401 /nfs/dbraw/zinc/85/54/01/1383855401.db2.gz JRIJPIFKTMCECZ-HXUWFJFHSA-N 2 0 336.479 3.198 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168290903 1383864990 /nfs/dbraw/zinc/86/49/90/1383864990.db2.gz NNJITCQOSLLCLJ-PWBPZBFBSA-N 2 0 349.563 3.482 20 0 EGADRP COc1ccccc1CC1([NH2+]C2CCC([NH+](C)C)CC2)CCOCC1 ZINC001168305791 1383868300 /nfs/dbraw/zinc/86/83/00/1383868300.db2.gz NDHIVABEULJLNP-UHFFFAOYSA-N 2 0 346.515 3.249 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001168305585 1383868322 /nfs/dbraw/zinc/86/83/22/1383868322.db2.gz ORQRLCAKYDQUBE-UHFFFAOYSA-N 2 0 343.515 3.001 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC001168304833 1383868483 /nfs/dbraw/zinc/86/84/83/1383868483.db2.gz FLRXUCXWWMKLRW-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)CC(C)(C)C)CC2)CC1 ZINC001168306373 1383868796 /nfs/dbraw/zinc/86/87/96/1383868796.db2.gz YBHXHCVWKCKITC-HFFNAHSWSA-N 2 0 337.552 3.312 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168320515 1383872347 /nfs/dbraw/zinc/87/23/47/1383872347.db2.gz AHHBDOFZRVWZAV-KRWDZBQOSA-N 2 0 345.531 3.284 20 0 EGADRP CCOC[C@H]1COCCC12CC[NH+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168322720 1383872445 /nfs/dbraw/zinc/87/24/45/1383872445.db2.gz FVIIPMJRBRZMSF-VIQWUECVSA-N 2 0 338.536 3.014 20 0 EGADRP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329182 1383873850 /nfs/dbraw/zinc/87/38/50/1383873850.db2.gz OVVBUXLLGBUTGK-RDHHWEPZSA-N 2 0 339.524 3.237 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001168327394 1383874196 /nfs/dbraw/zinc/87/41/96/1383874196.db2.gz MFRPRYBRUUCPEG-GTPINHCMSA-N 2 0 339.524 3.238 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335253 1383875888 /nfs/dbraw/zinc/87/58/88/1383875888.db2.gz DUDYPBZSLBVYRV-OOFWQKGWSA-N 2 0 335.536 3.093 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1)C1CCCC1 ZINC001168365210 1383884211 /nfs/dbraw/zinc/88/42/11/1383884211.db2.gz NKWXLQXWDYZSFV-WGSAOQKQSA-N 2 0 347.547 3.068 20 0 EGADRP [NH3+]C1(Cc2ccccc2F)CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365070 1383884697 /nfs/dbraw/zinc/88/46/97/1383884697.db2.gz KPLFWNJQEFPOTC-UHFFFAOYSA-N 2 0 345.506 3.036 20 0 EGADRP C(O[C@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]21)C1CC1 ZINC001168377410 1383889042 /nfs/dbraw/zinc/88/90/42/1383889042.db2.gz GPEMNRDAQLBCIX-GIVPXCGWSA-N 2 0 332.532 3.388 20 0 EGADRP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415818 1383900306 /nfs/dbraw/zinc/90/03/06/1383900306.db2.gz DFPGYILLTQDHGH-FQEVSTJZSA-N 2 0 339.458 3.114 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168590888 1383943891 /nfs/dbraw/zinc/94/38/91/1383943891.db2.gz SLUJGSDNKRSCBJ-BFMVXSJESA-N 2 0 330.472 3.130 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001168606193 1383947184 /nfs/dbraw/zinc/94/71/84/1383947184.db2.gz DDGOIIZACJJEFJ-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[C@@H]([NH+](C)C)CC3)CCO2)cc1 ZINC001168624260 1383951259 /nfs/dbraw/zinc/95/12/59/1383951259.db2.gz NHYCSIYXGJOKOW-FTEYMNFISA-N 2 0 332.488 3.378 20 0 EGADRP CC[N@H+](C)C1CC[NH+]([C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168673499 1383966164 /nfs/dbraw/zinc/96/61/64/1383966164.db2.gz RPUACICXIIZLMV-AZUAARDMSA-N 2 0 332.488 3.331 20 0 EGADRP Clc1cccc2c1C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001168703860 1383974863 /nfs/dbraw/zinc/97/48/63/1383974863.db2.gz JEMAXMTZCLWPRT-MRXNPFEDSA-N 2 0 327.859 3.461 20 0 EGADRP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001168710378 1383976252 /nfs/dbraw/zinc/97/62/52/1383976252.db2.gz ZLXYPBYCTJJTHQ-GOSISDBHSA-N 2 0 348.918 3.288 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CN1C(=O)OC(C)(C)C ZINC001168801694 1384010950 /nfs/dbraw/zinc/01/09/50/1384010950.db2.gz BAWAPSGCMZQEER-DLBZAZTESA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)Cc1cc(OC)ccc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168846152 1384031946 /nfs/dbraw/zinc/03/19/46/1384031946.db2.gz LAIDVEHZRMCVOA-UHFFFAOYSA-N 2 0 338.455 3.335 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168886142 1384047241 /nfs/dbraw/zinc/04/72/41/1384047241.db2.gz XOCMLLOINKHXFL-HZPDHXFCSA-N 2 0 327.513 3.048 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]13)C2 ZINC001169090275 1384105113 /nfs/dbraw/zinc/10/51/13/1384105113.db2.gz JFMDVECBTJYIQY-VMQUQCCTSA-N 2 0 339.527 3.112 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001169134890 1384111929 /nfs/dbraw/zinc/11/19/29/1384111929.db2.gz UKSBMTIGKZLAOS-RBUKOAKNSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140170 1384112297 /nfs/dbraw/zinc/11/22/97/1384112297.db2.gz IATQWFXNWIETGQ-XBJCXQGOSA-N 2 0 341.543 3.454 20 0 EGADRP Cc1cc(N2CCOCC2)[nH+]cc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169141117 1384113055 /nfs/dbraw/zinc/11/30/55/1384113055.db2.gz AALCCYVFCZDZEI-JXFKEZNVSA-N 2 0 346.519 3.182 20 0 EGADRP C[NH+]1CCN(c2ccc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC001169143024 1384113365 /nfs/dbraw/zinc/11/33/65/1384113365.db2.gz JAVYXUGVVIIMFJ-NQIIRXRSSA-N 2 0 344.547 3.394 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001169221536 1384124191 /nfs/dbraw/zinc/12/41/91/1384124191.db2.gz JMKZPSOGDDWURA-JCNLHEQBSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1cc(-n2ccc([C@@H](C)[NH3+])n2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001169228404 1384124871 /nfs/dbraw/zinc/12/48/71/1384124871.db2.gz PZSJIKQDPDFNAK-MRXNPFEDSA-N 2 0 347.466 3.154 20 0 EGADRP CCC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC001308638563 1384138299 /nfs/dbraw/zinc/13/82/99/1384138299.db2.gz GEINOLGWLBNDQJ-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP Cc1ccccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001308758715 1384148054 /nfs/dbraw/zinc/14/80/54/1384148054.db2.gz USQROLVXFUHQFE-HSZRJFAPSA-N 2 0 349.522 3.387 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001169446960 1384148951 /nfs/dbraw/zinc/14/89/51/1384148951.db2.gz QDULDLKDOSQLPP-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC001308859820 1384155392 /nfs/dbraw/zinc/15/53/92/1384155392.db2.gz NKEJVRCNVMOGJK-QGZVFWFLSA-N 2 0 335.923 3.488 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729712 1384179641 /nfs/dbraw/zinc/17/96/41/1384179641.db2.gz UYRFALPFLFMYTN-QUCCMNQESA-N 2 0 343.515 3.145 20 0 EGADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169756311 1384183210 /nfs/dbraw/zinc/18/32/10/1384183210.db2.gz HZNQCXRYBFOCPG-AZUAARDMSA-N 2 0 343.515 3.132 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CCC2CCCCC2)CC1 ZINC001169947094 1384202081 /nfs/dbraw/zinc/20/20/81/1384202081.db2.gz AAYQIMDICGHYCG-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@H](C)Cc1ccccc1Cl ZINC001170282715 1384282071 /nfs/dbraw/zinc/28/20/71/1384282071.db2.gz KEBNBKZWXHFHRT-OAHLLOKOSA-N 2 0 340.895 3.088 20 0 EGADRP C[C@H](Cc1ccccc1Cl)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001170295876 1384284411 /nfs/dbraw/zinc/28/44/11/1384284411.db2.gz WVJRYAQCTRRRSB-QGZVFWFLSA-N 2 0 349.950 3.230 20 0 EGADRP Nc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]cc1F ZINC001170330405 1384292872 /nfs/dbraw/zinc/29/28/72/1384292872.db2.gz MDWFULQZHCRVRV-PHZGNYQRSA-N 2 0 326.419 3.410 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769171 1384382564 /nfs/dbraw/zinc/38/25/64/1384382564.db2.gz DZFIREJRPDBBHY-DLBZAZTESA-N 2 0 343.531 3.264 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001170880060 1384403738 /nfs/dbraw/zinc/40/37/38/1384403738.db2.gz RUQSFWIAYRYRPB-HFTRVMKXSA-N 2 0 349.316 3.190 20 0 EGADRP Cc1sc2nc(C)nc(N[C@H]([NH3+])CCC[NH3+])c2c1-c1ccccc1 ZINC001170898275 1384407565 /nfs/dbraw/zinc/40/75/65/1384407565.db2.gz RPUVCNMGSLHJGL-AWEZNQCLSA-N 2 0 341.484 3.411 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CCc4cccc(F)c4C3)CC2)cc[nH+]1 ZINC001171013804 1384429704 /nfs/dbraw/zinc/42/97/04/1384429704.db2.gz VOKASGOONYHTQF-QGZVFWFLSA-N 2 0 325.431 3.209 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107240 1384447155 /nfs/dbraw/zinc/44/71/55/1384447155.db2.gz AGIGRLBPOYCVNI-KZNAEPCWSA-N 2 0 334.891 3.168 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001171160287 1384457661 /nfs/dbraw/zinc/45/76/61/1384457661.db2.gz FOLBXZYNIAEFKI-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171331253 1384496115 /nfs/dbraw/zinc/49/61/15/1384496115.db2.gz XSUYPOIVSHZSRM-DSQZMVHQSA-N 2 0 337.552 3.482 20 0 EGADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171540819 1384557344 /nfs/dbraw/zinc/55/73/44/1384557344.db2.gz BKSPQMLRWRKDQI-CQSZACIVSA-N 2 0 326.406 3.235 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@H]2C1 ZINC001171546200 1384558928 /nfs/dbraw/zinc/55/89/28/1384558928.db2.gz HAXRBERYHRWLDF-KFWWJZLASA-N 2 0 338.417 3.235 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1ccc(F)cc1 ZINC001171578908 1384570598 /nfs/dbraw/zinc/57/05/98/1384570598.db2.gz LRZRCCSWYQSPPH-SFHVURJKSA-N 2 0 337.483 3.105 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC[NH3+])C[C@@H]1C(C)(C)C ZINC001171582894 1384571675 /nfs/dbraw/zinc/57/16/75/1384571675.db2.gz URCZZGKEHPGBSE-HUUCEWRRSA-N 2 0 327.513 3.129 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1ccccc1Cl ZINC001171585415 1384572298 /nfs/dbraw/zinc/57/22/98/1384572298.db2.gz SITXLKYVYHEJNJ-OAHLLOKOSA-N 2 0 339.911 3.229 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC1(C)C ZINC001171625472 1384584178 /nfs/dbraw/zinc/58/41/78/1384584178.db2.gz IYJDKEIQNRVESA-QGZVFWFLSA-N 2 0 343.515 3.142 20 0 EGADRP C[NH+]1C(C)(C)CC([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC1(C)C ZINC001171637472 1384587757 /nfs/dbraw/zinc/58/77/57/1384587757.db2.gz ORFDRVVNHXLAGQ-UHFFFAOYSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674281 1384598464 /nfs/dbraw/zinc/59/84/64/1384598464.db2.gz KJDLUOUUEOQYMB-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171692507 1384603851 /nfs/dbraw/zinc/60/38/51/1384603851.db2.gz ZFSFRLWTCBOBDF-INIZCTEOSA-N 2 0 330.476 3.403 20 0 EGADRP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788840 1384637775 /nfs/dbraw/zinc/63/77/75/1384637775.db2.gz XYJUDTGJYHVYJW-KRWDZBQOSA-N 2 0 342.433 3.468 20 0 EGADRP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1Cc2cccc(F)c2C1 ZINC001171797715 1384641519 /nfs/dbraw/zinc/64/15/19/1384641519.db2.gz BFSQUYJPVHTDHK-DLBZAZTESA-N 2 0 346.490 3.305 20 0 EGADRP CCOC(CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC001171966361 1384697590 /nfs/dbraw/zinc/69/75/90/1384697590.db2.gz KMTMCNCDIJFGAV-SFHVURJKSA-N 2 0 334.504 3.418 20 0 EGADRP Cc1ncn([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1CC[NH3+] ZINC001171970071 1384698455 /nfs/dbraw/zinc/69/84/55/1384698455.db2.gz YCIWPNDNHHEJEZ-SFHVURJKSA-N 3 0 326.488 3.308 20 0 EGADRP CC1(C)C[C@H](n2ccnc2CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171977501 1384702422 /nfs/dbraw/zinc/70/24/22/1384702422.db2.gz RTIONNPANZZADB-GOSISDBHSA-N 2 0 326.488 3.390 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)no1 ZINC001172060488 1384714067 /nfs/dbraw/zinc/71/40/67/1384714067.db2.gz ARWPKZVFOARHCI-LDLYASANSA-N 2 0 340.471 3.096 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001316951446 1384725576 /nfs/dbraw/zinc/72/55/76/1384725576.db2.gz JTOZFWSPODUIGO-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CCC[NH+]1Cc1ccccc1)C2 ZINC001172110986 1384729172 /nfs/dbraw/zinc/72/91/72/1384729172.db2.gz NKHYTZYXXVBFPS-BURNTYAHSA-N 2 0 327.516 3.256 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC001172110673 1384729545 /nfs/dbraw/zinc/72/95/45/1384729545.db2.gz LHAXJYBMAFJIDA-ACDBMABISA-N 2 0 328.500 3.340 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3c1cccc3N1CC[NH2+]CC1)C2 ZINC001172120986 1384734060 /nfs/dbraw/zinc/73/40/60/1384734060.db2.gz AYXZNISUNBNJMR-PIIMJCKOSA-N 2 0 338.499 3.239 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(Cc4ccccc4O3)CC1)C2 ZINC001172127945 1384736222 /nfs/dbraw/zinc/73/62/22/1384736222.db2.gz MDQDLGLQALXPPG-REPLKXPHSA-N 2 0 326.484 3.471 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3cc(N4CC[NH2+]CC4)ccc31)C2 ZINC001172130508 1384737097 /nfs/dbraw/zinc/73/70/97/1384737097.db2.gz PELPBOUUOBQKTI-OPVJXMOQSA-N 2 0 338.499 3.239 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001316987762 1384743729 /nfs/dbraw/zinc/74/37/29/1384743729.db2.gz VKJIYFXWMROQSC-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(Cc3ccc(C)cc3)CC2)CC1 ZINC001172248202 1384755484 /nfs/dbraw/zinc/75/54/84/1384755484.db2.gz AMRUOCOLNLISOO-UHFFFAOYSA-N 2 0 330.516 3.408 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172337290 1384773544 /nfs/dbraw/zinc/77/35/44/1384773544.db2.gz PANGDHXFTXIYRG-ZWKOTPCHSA-N 2 0 333.520 3.477 20 0 EGADRP CC(C)OCC[C@H](C)[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001172432252 1384791421 /nfs/dbraw/zinc/79/14/21/1384791421.db2.gz XKERBYZVOCYFEC-HNNXBMFYSA-N 2 0 328.522 3.368 20 0 EGADRP CC(C)OCC[C@@H](C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172440308 1384791763 /nfs/dbraw/zinc/79/17/63/1384791763.db2.gz KWABHYTYOPOMCC-GOSISDBHSA-N 2 0 326.525 3.014 20 0 EGADRP CC(C)COCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001172465269 1384798153 /nfs/dbraw/zinc/79/81/53/1384798153.db2.gz TWAJCELNFUNXGZ-SFHVURJKSA-N 2 0 340.552 3.166 20 0 EGADRP COc1ccc(C2([NH3+])CC[NH+]([C@H](C)CCOCC(C)C)CC2)cc1 ZINC001172473559 1384800944 /nfs/dbraw/zinc/80/09/44/1384800944.db2.gz VSRYEXZGZDOZLF-QGZVFWFLSA-N 2 0 334.504 3.396 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001317038548 1384810453 /nfs/dbraw/zinc/81/04/53/1384810453.db2.gz KKCSSDMGNZSKAB-GOSISDBHSA-N 2 0 339.568 3.325 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172663250 1384829367 /nfs/dbraw/zinc/82/93/67/1384829367.db2.gz AVKLVSUWVFUQTF-UYAOXDASSA-N 2 0 345.531 3.278 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001172767533 1384847482 /nfs/dbraw/zinc/84/74/82/1384847482.db2.gz HLQMIVOZXKWTJZ-AQNXPRMDSA-N 2 0 344.499 3.220 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001172800583 1384854698 /nfs/dbraw/zinc/85/46/98/1384854698.db2.gz YSROHFQBQVJRGW-WBVHZDCISA-N 2 0 340.483 3.007 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173051874 1384901492 /nfs/dbraw/zinc/90/14/92/1384901492.db2.gz AKIYTXSGDQBFDN-OTBWCIGPSA-N 2 0 339.524 3.272 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC001173108793 1384916118 /nfs/dbraw/zinc/91/61/18/1384916118.db2.gz QZZFIRXIIQGUDP-CTWPCTMYSA-N 2 0 332.488 3.186 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3cccc(OC)n3)CC2)CC1 ZINC001173109347 1384916352 /nfs/dbraw/zinc/91/63/52/1384916352.db2.gz CUFFQUDWWKFICW-UHFFFAOYSA-N 2 0 331.504 3.364 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC001173111680 1384916971 /nfs/dbraw/zinc/91/69/71/1384916971.db2.gz JXEZWMSOXWCBEU-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H]2COc3cc(OC)ccc3C2)CC1 ZINC001173111164 1384917327 /nfs/dbraw/zinc/91/73/27/1384917327.db2.gz YFYVZLYJKALTCL-IPJUCJBFSA-N 2 0 346.515 3.489 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(Oc3ncncc3C)CC2)CC1 ZINC001173113290 1384917914 /nfs/dbraw/zinc/91/79/14/1384917914.db2.gz JNBZJWPGUITMOQ-UHFFFAOYSA-N 2 0 346.519 3.281 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173131668 1384920543 /nfs/dbraw/zinc/92/05/43/1384920543.db2.gz LQWOQLPBTODMHL-DJIMGWMZSA-N 2 0 342.512 3.168 20 0 EGADRP COc1cccc2c1C[C@@H]([N@H+](C)CC1CC[NH+](C(C)C)CC1)CO2 ZINC001173160913 1384927351 /nfs/dbraw/zinc/92/73/51/1384927351.db2.gz MMNACSPBPVGFQL-QGZVFWFLSA-N 2 0 332.488 3.051 20 0 EGADRP COc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)CO2 ZINC001173163382 1384928579 /nfs/dbraw/zinc/92/85/79/1384928579.db2.gz DHTLMGQLINWHCB-OKZBNKHCSA-N 2 0 344.499 3.338 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317170740 1384937014 /nfs/dbraw/zinc/93/70/14/1384937014.db2.gz GXNRMBUPASNECW-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]1CC[C@H]([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001173281355 1384951585 /nfs/dbraw/zinc/95/15/85/1384951585.db2.gz XXVZOLOGNRWYLX-MSOLQXFVSA-N 2 0 330.520 3.306 20 0 EGADRP CCSC[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001173305292 1384954574 /nfs/dbraw/zinc/95/45/74/1384954574.db2.gz IMSXXNWPVIKWLX-SFHVURJKSA-N 2 0 348.556 3.495 20 0 EGADRP CC(C)[N@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173411254 1384967675 /nfs/dbraw/zinc/96/76/75/1384967675.db2.gz XLFXYTRVWVSQCU-UHFFFAOYSA-N 2 0 337.895 3.004 20 0 EGADRP Cc1cccnc1N1CCC([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173473878 1384976963 /nfs/dbraw/zinc/97/69/63/1384976963.db2.gz LUKIELMLLGNZPQ-UHFFFAOYSA-N 2 0 343.421 3.394 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC([NH3+])(CC3CCC3)CC1)CC2 ZINC001173607856 1384986956 /nfs/dbraw/zinc/98/69/56/1384986956.db2.gz RCEPXRHIESQWMZ-QPIRBTGLSA-N 2 0 348.531 3.482 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC3(CC[NH+](C)CC3)CC1)CC2 ZINC001173618755 1384989717 /nfs/dbraw/zinc/98/97/17/1384989717.db2.gz AMUHFYWZGULAJK-WBTXTPOCSA-N 2 0 348.531 3.306 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001173647949 1384995053 /nfs/dbraw/zinc/99/50/53/1384995053.db2.gz CQFRHABIVRPADA-AEFFLSMTSA-N 2 0 336.520 3.495 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)C1CCC2(CCc3ccccc32)CC1 ZINC001173688306 1385004161 /nfs/dbraw/zinc/00/41/61/1385004161.db2.gz AMZQJSJLSSGPRH-UHFFFAOYSA-N 2 0 343.559 3.238 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001173733638 1385011422 /nfs/dbraw/zinc/01/14/22/1385011422.db2.gz DTFQJLKFJWSAGL-QGZVFWFLSA-N 2 0 344.499 3.212 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001317280605 1385051481 /nfs/dbraw/zinc/05/14/81/1385051481.db2.gz SVVDXDDLWXGDFT-SJORKVTESA-N 2 0 341.499 3.337 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)cs1 ZINC001317294836 1385067293 /nfs/dbraw/zinc/06/72/93/1385067293.db2.gz RRTATEUHLCHVSO-CQSZACIVSA-N 2 0 345.512 3.026 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649325 1385129973 /nfs/dbraw/zinc/12/99/73/1385129973.db2.gz DHBDWGAEYSKQMS-QGZVFWFLSA-N 2 0 325.541 3.316 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174882333 1385164481 /nfs/dbraw/zinc/16/44/81/1385164481.db2.gz QJWOGSBVSJAOTN-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP CCOc1cc(F)cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001175002655 1385181128 /nfs/dbraw/zinc/18/11/28/1385181128.db2.gz PLWHWCNIYFCDNP-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175055249 1385187145 /nfs/dbraw/zinc/18/71/45/1385187145.db2.gz GALAYWPQMVCKBY-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001175055814 1385187230 /nfs/dbraw/zinc/18/72/30/1385187230.db2.gz HRODMEXAVGHZCU-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1c(C)cccc1C ZINC001317492079 1385192633 /nfs/dbraw/zinc/19/26/33/1385192633.db2.gz HTZSMNVDQQFJPK-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1c(C)cccc1C ZINC001317492077 1385192840 /nfs/dbraw/zinc/19/28/40/1385192840.db2.gz HTZSMNVDQQFJPK-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175114848 1385197177 /nfs/dbraw/zinc/19/71/77/1385197177.db2.gz HAVVYPGTXMOWAX-QZTJIDSGSA-N 2 0 327.557 3.273 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317509852 1385219189 /nfs/dbraw/zinc/21/91/89/1385219189.db2.gz PYTIDXNWMIGFHR-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCOc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC001175249763 1385229304 /nfs/dbraw/zinc/22/93/04/1385229304.db2.gz SQTCQMDCWJBUCY-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255430 1385229887 /nfs/dbraw/zinc/22/98/87/1385229887.db2.gz FLYZYZDTPFZOQX-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001317533494 1385262879 /nfs/dbraw/zinc/26/28/79/1385262879.db2.gz VZWYSXVAJLZLOW-SFHVURJKSA-N 2 0 345.531 3.090 20 0 EGADRP COc1cccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC001175492176 1385309188 /nfs/dbraw/zinc/30/91/88/1385309188.db2.gz NBUVQOQNQIVPJL-FQEVSTJZSA-N 2 0 345.531 3.076 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581210 1385338913 /nfs/dbraw/zinc/33/89/13/1385338913.db2.gz IZMAIKHIKOXBTA-XFHJGTJQSA-N 2 0 337.552 3.339 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)C(C)C ZINC001175747870 1385394790 /nfs/dbraw/zinc/39/47/90/1385394790.db2.gz VJAWENSWUBNVJJ-MSOLQXFVSA-N 2 0 327.557 3.273 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001175785898 1385405051 /nfs/dbraw/zinc/40/50/51/1385405051.db2.gz GHAFXWGYHZVDIM-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001175786390 1385405783 /nfs/dbraw/zinc/40/57/83/1385405783.db2.gz KJSAGSDELLOVFS-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(C(C)C)cc1 ZINC001317711031 1385412593 /nfs/dbraw/zinc/41/25/93/1385412593.db2.gz GZDKISVVAVNLAO-GOSISDBHSA-N 2 0 331.504 3.061 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176024954 1385463906 /nfs/dbraw/zinc/46/39/06/1385463906.db2.gz VOTUASIZYAIAAK-HOTGVXAUSA-N 2 0 347.494 3.028 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176024497 1385464135 /nfs/dbraw/zinc/46/41/35/1385464135.db2.gz PBTAUCBBSGZBKU-ATEOEAFZSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176025000 1385465159 /nfs/dbraw/zinc/46/51/59/1385465159.db2.gz WIOOESRLMJCGGG-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[NH+]2CCCC2)cc1 ZINC001176102610 1385485138 /nfs/dbraw/zinc/48/51/38/1385485138.db2.gz JGICXJWFNLDTAR-KRWDZBQOSA-N 2 0 331.504 3.063 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176111054 1385486419 /nfs/dbraw/zinc/48/64/19/1385486419.db2.gz FMJPFXGKDCNDRL-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164350 1385500379 /nfs/dbraw/zinc/50/03/79/1385500379.db2.gz BCSAWRKJBYLSAU-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001317809586 1385506276 /nfs/dbraw/zinc/50/62/76/1385506276.db2.gz QBWQFHPNGZTPHK-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176193076 1385508123 /nfs/dbraw/zinc/50/81/23/1385508123.db2.gz RMMTUWJGKIVBCR-ROUUACIJSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCCC[NH+](C)C ZINC001176230119 1385521038 /nfs/dbraw/zinc/52/10/38/1385521038.db2.gz DKVOLLZWMPFZBW-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001176231741 1385521685 /nfs/dbraw/zinc/52/16/85/1385521685.db2.gz WQQBCLRLKIZQSW-LJQANCHMSA-N 2 0 347.547 3.492 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001176279855 1385536888 /nfs/dbraw/zinc/53/68/88/1385536888.db2.gz ROLUKKWZZIOBFD-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+]CC1CCCCCC1 ZINC001176317912 1385550264 /nfs/dbraw/zinc/55/02/64/1385550264.db2.gz IKFBLMPRGFUZCS-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(CC)c2)C1 ZINC001317988006 1385602112 /nfs/dbraw/zinc/60/21/12/1385602112.db2.gz RDMPYOKHKCYGFU-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564028 1385626363 /nfs/dbraw/zinc/62/63/63/1385626363.db2.gz KDRUVLFDERBRPT-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565106 1385626699 /nfs/dbraw/zinc/62/66/99/1385626699.db2.gz SKHWUQUYIPOQGJ-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[NH+]1CCCC1 ZINC001176592079 1385635420 /nfs/dbraw/zinc/63/54/20/1385635420.db2.gz VFWRSYQSCQLGRX-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300968 1385645583 /nfs/dbraw/zinc/64/55/83/1385645583.db2.gz IJBSZAGMALDQBF-DSQZMVHQSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176759564 1385685474 /nfs/dbraw/zinc/68/54/74/1385685474.db2.gz JZODPCHDMFOOAO-MSOLQXFVSA-N 2 0 333.520 3.352 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001176975125 1385759733 /nfs/dbraw/zinc/75/97/33/1385759733.db2.gz KBCOGUKANYPGNK-KRWDZBQOSA-N 2 0 339.911 3.227 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001176991993 1385766049 /nfs/dbraw/zinc/76/60/49/1385766049.db2.gz GVHRJWRQKNSHKP-IEBWSBKVSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997339 1385768377 /nfs/dbraw/zinc/76/83/77/1385768377.db2.gz KUACMOANUHGCNZ-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001176998991 1385769216 /nfs/dbraw/zinc/76/92/16/1385769216.db2.gz OVVCOHZDMVFKGG-IBGZPJMESA-N 2 0 335.536 3.093 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001177339576 1385919522 /nfs/dbraw/zinc/91/95/22/1385919522.db2.gz KWLYBRAQWFLZIU-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001319090616 1385957339 /nfs/dbraw/zinc/95/73/39/1385957339.db2.gz RYBYFOVBSYJIIG-MISYRCLQSA-N 2 0 343.515 3.030 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001177440595 1385958306 /nfs/dbraw/zinc/95/83/06/1385958306.db2.gz MSCLTMJKJNCQSU-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC[NH+](CC)CC(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177445250 1385958947 /nfs/dbraw/zinc/95/89/47/1385958947.db2.gz FMCADKKJKLQMNH-XFFZJAGNSA-N 2 0 343.943 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1 ZINC001177468888 1385968269 /nfs/dbraw/zinc/96/82/69/1385968269.db2.gz MSYPVSQNSQTHNU-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177477773 1385971022 /nfs/dbraw/zinc/97/10/22/1385971022.db2.gz LXWKBWJZWIJDMR-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N(CCC[NH2+]CC2CCCC2)CC2CCCC2)C1 ZINC001177477552 1385971253 /nfs/dbraw/zinc/97/12/53/1385971253.db2.gz GJDBMUQNDFZUEJ-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177477844 1385972304 /nfs/dbraw/zinc/97/23/04/1385972304.db2.gz NGVUXMXRENKSQS-SGSXCFNPSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177484867 1385974010 /nfs/dbraw/zinc/97/40/10/1385974010.db2.gz LHNOMUUFDGHNLI-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001319590630 1386193821 /nfs/dbraw/zinc/19/38/21/1386193821.db2.gz USUTYQQDNIVNRJ-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178468142 1386226319 /nfs/dbraw/zinc/22/63/19/1386226319.db2.gz PJXZKGCHFOOBDC-SFFCAUCYSA-N 2 0 337.552 3.482 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001178612141 1386262513 /nfs/dbraw/zinc/26/25/13/1386262513.db2.gz FDLRFLVJAKSHTC-SFHVURJKSA-N 2 0 345.547 3.369 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178634270 1386265477 /nfs/dbraw/zinc/26/54/77/1386265477.db2.gz QYFPVLAFDNQXTN-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178687995 1386277700 /nfs/dbraw/zinc/27/77/00/1386277700.db2.gz BJNHKOMKTLAMHW-MOPGFXCFSA-N 2 0 339.568 3.277 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178689115 1386279125 /nfs/dbraw/zinc/27/91/25/1386279125.db2.gz STQJLYOPRVNGLH-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178702338 1386283187 /nfs/dbraw/zinc/28/31/87/1386283187.db2.gz MCGXPONAKFZKDF-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707943 1386284856 /nfs/dbraw/zinc/28/48/56/1386284856.db2.gz OZJQRHALHBHSLK-NSHGMRRFSA-N 2 0 347.547 3.186 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178735921 1386292388 /nfs/dbraw/zinc/29/23/88/1386292388.db2.gz KNBSPSRHOBJTOH-DXTMHIJLSA-N 2 0 335.536 3.042 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178735920 1386292448 /nfs/dbraw/zinc/29/24/48/1386292448.db2.gz KNBSPSRHOBJTOH-DCHFITGZSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178833264 1386322282 /nfs/dbraw/zinc/32/22/82/1386322282.db2.gz RLBDIFJKBONTIG-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001178853339 1386329344 /nfs/dbraw/zinc/32/93/44/1386329344.db2.gz HGCFFONNINVXPE-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001178854153 1386329355 /nfs/dbraw/zinc/32/93/55/1386329355.db2.gz VYRNRZADBSSTCW-UHFFFAOYSA-N 2 0 347.547 3.226 20 0 EGADRP Cc1cccc(C[NH2+][C@H](CNC(=O)CC[NH+]2CCCCC2)C(C)C)c1 ZINC001319969384 1386426831 /nfs/dbraw/zinc/42/68/31/1386426831.db2.gz YWEGSHMIHGUGJS-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](CNC(=O)CC[NH+]2CCCCC2)C(C)C)c1 ZINC001319969383 1386427023 /nfs/dbraw/zinc/42/70/23/1386427023.db2.gz YWEGSHMIHGUGJS-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001179234723 1386428169 /nfs/dbraw/zinc/42/81/69/1386428169.db2.gz XRFLCCDYYHFKPS-HKUYNNGSSA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC=C(C)C)C1 ZINC001179358017 1386462837 /nfs/dbraw/zinc/46/28/37/1386462837.db2.gz QLEGPZODZYBJRN-LJQANCHMSA-N 2 0 337.552 3.341 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179382859 1386468174 /nfs/dbraw/zinc/46/81/74/1386468174.db2.gz DEZLBCUPYCDXIE-SQNIBIBYSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)c1occc1C[NH+](C)C ZINC001179395671 1386474321 /nfs/dbraw/zinc/47/43/21/1386474321.db2.gz QYCIOVDWYJONPC-UHFFFAOYSA-N 2 0 337.508 3.411 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C)c1ccccc1 ZINC001179549556 1386512252 /nfs/dbraw/zinc/51/22/52/1386512252.db2.gz DXODJTZKQHYSRI-AOIWGVFYSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001179585711 1386524403 /nfs/dbraw/zinc/52/44/03/1386524403.db2.gz JRXQJGJUUCVXRN-RBUKOAKNSA-N 2 0 345.531 3.356 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001179746520 1386571260 /nfs/dbraw/zinc/57/12/60/1386571260.db2.gz WMRMAIBGWWTVHI-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001179857217 1386609427 /nfs/dbraw/zinc/60/94/27/1386609427.db2.gz YDLMVOLTCSSMPH-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001179988439 1386659844 /nfs/dbraw/zinc/65/98/44/1386659844.db2.gz HHXXNWAANRPHHO-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001180039659 1386677039 /nfs/dbraw/zinc/67/70/39/1386677039.db2.gz GJMLHHHOYXKZHJ-HXUWFJFHSA-N 2 0 333.520 3.140 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001180204664 1386731968 /nfs/dbraw/zinc/73/19/68/1386731968.db2.gz YHNNRTOQDGNLIS-JXFKEZNVSA-N 2 0 345.531 3.377 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180352991 1386772422 /nfs/dbraw/zinc/77/24/22/1386772422.db2.gz XPBMKUFZUQEXQU-CQQBRXBZSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001180369832 1386776546 /nfs/dbraw/zinc/77/65/46/1386776546.db2.gz ZWMQQSDIDKQKJW-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001180369659 1386776763 /nfs/dbraw/zinc/77/67/63/1386776763.db2.gz QWHAFKFDGYMGTB-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180372879 1386777560 /nfs/dbraw/zinc/77/75/60/1386777560.db2.gz KHBJZFJLCBBJPS-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP CC(C)(C)OC(=O)C1CC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001181276065 1386970697 /nfs/dbraw/zinc/97/06/97/1386970697.db2.gz IRKXEWKPIZILLO-HTWSVDAQSA-N 2 0 336.520 3.493 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001321990748 1387025167 /nfs/dbraw/zinc/02/51/67/1387025167.db2.gz JISUYJNZSNUJJZ-FCEWJHQRSA-N 2 0 347.547 3.480 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001182590586 1387192501 /nfs/dbraw/zinc/19/25/01/1387192501.db2.gz PQHWKVNCJLOSKC-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001329301992 1389055434 /nfs/dbraw/zinc/05/54/34/1389055434.db2.gz FFPGTDPTFHTPFD-IBGZPJMESA-N 2 0 347.547 3.155 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336890031 1389197562 /nfs/dbraw/zinc/19/75/62/1389197562.db2.gz ZOXYNNZJADBABQ-WFXMLNOXSA-N 2 0 338.499 3.343 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC001337140670 1389262493 /nfs/dbraw/zinc/26/24/93/1389262493.db2.gz QNSYECZNQXAAMB-GFCCVEGCSA-N 2 0 343.393 3.095 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001330987247 1389588093 /nfs/dbraw/zinc/58/80/93/1389588093.db2.gz DMPSXTGYGBPMLQ-OAQYLSRUSA-N 2 0 349.478 3.498 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001331031747 1389604017 /nfs/dbraw/zinc/60/40/17/1389604017.db2.gz ZHYZLBMBELSFHV-HKUYNNGSSA-N 2 0 337.552 3.076 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC001331420303 1389741113 /nfs/dbraw/zinc/74/11/13/1389741113.db2.gz VKDVNLJDCDGKOY-QGZVFWFLSA-N 2 0 349.482 3.081 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698746036 1406397478 /nfs/dbraw/zinc/39/74/78/1406397478.db2.gz IIWDVTZZTGEGJX-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H](n2cncn2)C1 ZINC001339191670 1389936407 /nfs/dbraw/zinc/93/64/07/1389936407.db2.gz CHMBKTYKLMFBPM-KBKAQKEBSA-N 2 0 345.535 3.395 20 0 EGADRP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H]2C)cs1 ZINC001332183540 1390026690 /nfs/dbraw/zinc/02/66/90/1390026690.db2.gz DDGJMBJRCNZUDA-RDJZCZTQSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001340032685 1390211842 /nfs/dbraw/zinc/21/18/42/1390211842.db2.gz FBNHLYANYHRMMI-ZWQIFLOQSA-N 2 0 327.472 3.140 20 0 EGADRP [NH3+]CCCSCCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001340061031 1390218000 /nfs/dbraw/zinc/21/80/00/1390218000.db2.gz GGPZUGKQYVNPEL-UHFFFAOYSA-N 2 0 349.544 3.473 20 0 EGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001333199989 1390265748 /nfs/dbraw/zinc/26/57/48/1390265748.db2.gz NZTLHHFGCQKREV-JQHSSLGASA-N 2 0 337.552 3.142 20 0 EGADRP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001340803489 1390371495 /nfs/dbraw/zinc/37/14/95/1390371495.db2.gz LAQUGCCCGNHCTO-WBVHZDCISA-N 2 0 349.544 3.470 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340871568 1390390132 /nfs/dbraw/zinc/39/01/32/1390390132.db2.gz IJOHFSMLHUTTTP-WBQJQJEBSA-N 2 0 345.531 3.023 20 0 EGADRP [NH3+]CC[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC001342387911 1390607560 /nfs/dbraw/zinc/60/75/60/1390607560.db2.gz YWTSHVGUARFQHA-LJQANCHMSA-N 2 0 349.478 3.375 20 0 EGADRP [NH3+]CC[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC001342387910 1390607672 /nfs/dbraw/zinc/60/76/72/1390607672.db2.gz YWTSHVGUARFQHA-IBGZPJMESA-N 2 0 349.478 3.375 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1)c1ccccc1 ZINC001698804520 1406484531 /nfs/dbraw/zinc/48/45/31/1406484531.db2.gz KHZCTGWAQQTMHW-MSOLQXFVSA-N 2 0 343.515 3.108 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001349894782 1391382120 /nfs/dbraw/zinc/38/21/20/1391382120.db2.gz TYTONXPZOFIZFW-OALUTQOASA-N 2 0 327.472 3.142 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001698845891 1406546228 /nfs/dbraw/zinc/54/62/28/1406546228.db2.gz QNMSBJVXESOIRD-ROUUACIJSA-N 2 0 347.547 3.470 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001698845889 1406546425 /nfs/dbraw/zinc/54/64/25/1406546425.db2.gz QNMSBJVXESOIRD-MSOLQXFVSA-N 2 0 347.547 3.470 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)CCCCC1 ZINC001479310843 1392210041 /nfs/dbraw/zinc/21/00/41/1392210041.db2.gz FBFDROHFNZPYGN-KDURUIRLSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698861265 1406571411 /nfs/dbraw/zinc/57/14/11/1406571411.db2.gz OBVDMUQUJSKQCH-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001698862253 1406573715 /nfs/dbraw/zinc/57/37/15/1406573715.db2.gz XHDVXBJOJDFIRH-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001480265965 1392650601 /nfs/dbraw/zinc/65/06/01/1392650601.db2.gz TUTBQUNNFBGRCR-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(CC)c1 ZINC001480333691 1392692552 /nfs/dbraw/zinc/69/25/52/1392692552.db2.gz VEARWWCERQPOBG-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001480793919 1392937558 /nfs/dbraw/zinc/93/75/58/1392937558.db2.gz QPEZQESCHGWDKZ-CVEARBPZSA-N 2 0 349.494 3.103 20 0 EGADRP C[N@H+](CCCC1CCC1)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480873644 1392993370 /nfs/dbraw/zinc/99/33/70/1392993370.db2.gz INAAMCWUDYUGNI-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCCC2)CC1 ZINC001481060869 1393109905 /nfs/dbraw/zinc/10/99/05/1393109905.db2.gz MPVLAAGHKXOCES-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001698882130 1406611991 /nfs/dbraw/zinc/61/19/91/1406611991.db2.gz UVKHKIADDNQJAW-VQTJNVASSA-N 2 0 349.563 3.316 20 0 EGADRP CC1CC(C[NH2+]C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C2CCCCC2)C1 ZINC001698883139 1406614560 /nfs/dbraw/zinc/61/45/60/1406614560.db2.gz QRAPMQBBERBMAT-TVPLGVNVSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001481424061 1394281029 /nfs/dbraw/zinc/28/10/29/1394281029.db2.gz NGYYRKGQLLSSDE-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491109843 1394431203 /nfs/dbraw/zinc/43/12/03/1394431203.db2.gz NHBBGOITUQMOPL-ZWKOTPCHSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001491120638 1394439353 /nfs/dbraw/zinc/43/93/53/1394439353.db2.gz PIPFKMJPAZMXPN-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481690515 1394452051 /nfs/dbraw/zinc/45/20/51/1394452051.db2.gz IXUSIZBYUAZMQP-KRWDZBQOSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC001491211065 1394472847 /nfs/dbraw/zinc/47/28/47/1394472847.db2.gz XSFZSBBQMQUZRR-QGZVFWFLSA-N 2 0 334.508 3.139 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CC[NH+](C)CC3CC3)CC2)C1 ZINC001698954627 1406700140 /nfs/dbraw/zinc/70/01/40/1406700140.db2.gz ZYYZXOUSORLHAK-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001482369622 1394932328 /nfs/dbraw/zinc/93/23/28/1394932328.db2.gz ZELLKLJAUAKNRA-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CC2)CC1 ZINC001482505328 1395058188 /nfs/dbraw/zinc/05/81/88/1395058188.db2.gz HKBUENMZQQKCLA-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCCCCC1 ZINC001482535136 1395076011 /nfs/dbraw/zinc/07/60/11/1395076011.db2.gz WMTUECZHRATMFB-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001483913103 1395142054 /nfs/dbraw/zinc/14/20/54/1395142054.db2.gz SMKHKPUCZYATJE-WMZOPIPTSA-N 2 0 339.568 3.370 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001483959604 1395163180 /nfs/dbraw/zinc/16/31/80/1395163180.db2.gz ZAYPFZQMJYJKCU-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP C[N@H+](CC(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001483970595 1395169530 /nfs/dbraw/zinc/16/95/30/1395169530.db2.gz FFEVLEFSMMOKLS-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCCCC1 ZINC001698978591 1406751416 /nfs/dbraw/zinc/75/14/16/1406751416.db2.gz WAYAZDWPKUVMCY-IBGZPJMESA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484534812 1395420363 /nfs/dbraw/zinc/42/03/63/1395420363.db2.gz AEUBBKBLMLLWQW-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001484765818 1395519426 /nfs/dbraw/zinc/51/94/26/1395519426.db2.gz SVWKDENUQANJGT-MJGOQNOKSA-N 2 0 333.520 3.177 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC1CCCCCC1)C1CC1 ZINC001493402262 1396339642 /nfs/dbraw/zinc/33/96/42/1396339642.db2.gz XXHMTORTXSISIH-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CCCC1)[NH+](C)C ZINC001495169155 1396521934 /nfs/dbraw/zinc/52/19/34/1396521934.db2.gz RDKQPMQIWYINHY-MAUKXSAKSA-N 2 0 349.494 3.246 20 0 EGADRP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CCC)CC1 ZINC001690136645 1404334960 /nfs/dbraw/zinc/33/49/60/1404334960.db2.gz RGYMRRNQVCSOQI-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCCC1 ZINC001690446141 1404569224 /nfs/dbraw/zinc/56/92/24/1404569224.db2.gz LJTYGTDZRDCFFV-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001690455159 1404583705 /nfs/dbraw/zinc/58/37/05/1404583705.db2.gz QNKRXFFVZUPPBS-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CCC1CC1 ZINC001690492737 1404606134 /nfs/dbraw/zinc/60/61/34/1404606134.db2.gz UJHNTZUPJCQGLZ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690505127 1404617810 /nfs/dbraw/zinc/61/78/10/1404617810.db2.gz OCOYMJMTMMJLNI-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690684059 1404689358 /nfs/dbraw/zinc/68/93/58/1404689358.db2.gz NJEDMPJUEYWKPF-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001725176263 1425692586 /nfs/dbraw/zinc/69/25/86/1425692586.db2.gz YUVJYEVKMPAQJF-JKSUJKDBSA-N 2 0 344.503 3.375 20 0 EGADRP Cc1c(C(=O)NC[C@H](C)[N@@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001725176261 1425693029 /nfs/dbraw/zinc/69/30/29/1425693029.db2.gz YUVJYEVKMPAQJF-HOTGVXAUSA-N 2 0 344.503 3.375 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690780954 1404729116 /nfs/dbraw/zinc/72/91/16/1404729116.db2.gz NMDPBFLQXOPKHQ-RBUKOAKNSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001690978627 1404888386 /nfs/dbraw/zinc/88/83/86/1404888386.db2.gz YDTNGDINSYSYEQ-ZWKOTPCHSA-N 2 0 345.531 3.261 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001691143005 1405076579 /nfs/dbraw/zinc/07/65/79/1405076579.db2.gz ILMGETKLJUMMJY-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC(C[N@H+](C)CC2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001692030531 1405747607 /nfs/dbraw/zinc/74/76/07/1405747607.db2.gz VGXSFYIZPUCINY-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001692162382 1405813363 /nfs/dbraw/zinc/81/33/63/1405813363.db2.gz SBQYONJSSAINOO-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732072897 1428322290 /nfs/dbraw/zinc/32/22/90/1428322290.db2.gz JICIJWDLERUSFX-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001732091786 1428358620 /nfs/dbraw/zinc/35/86/20/1428358620.db2.gz XWIKHJOZLJUYNQ-XUVXKRRUSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1c(C)cccc1C ZINC001732222803 1428471529 /nfs/dbraw/zinc/47/15/29/1428471529.db2.gz OKYHNYZMMXYLFF-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)[NH2+]CCC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001732297651 1428518280 /nfs/dbraw/zinc/51/82/80/1428518280.db2.gz DOSGOAFVYDKHBJ-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001732396564 1428563832 /nfs/dbraw/zinc/56/38/32/1428563832.db2.gz CZJIQADLBAFZFE-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCC3CCCCCC3)CCCC2)C1 ZINC001732399147 1428565494 /nfs/dbraw/zinc/56/54/94/1428565494.db2.gz VYNCLVXAMFZSRA-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699395321 1412709943 /nfs/dbraw/zinc/70/99/43/1412709943.db2.gz CDWOYWIDLLOLAT-QGZVFWFLSA-N 2 0 345.531 3.136 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699450713 1412789807 /nfs/dbraw/zinc/78/98/07/1412789807.db2.gz LUWQCIMFWMTYDW-CQSZACIVSA-N 2 0 330.476 3.129 20 0 EGADRP CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001699788780 1413194539 /nfs/dbraw/zinc/19/45/39/1413194539.db2.gz GWRPYZQJKHDHRJ-HXUWFJFHSA-N 2 0 339.483 3.091 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC001699799432 1413210464 /nfs/dbraw/zinc/21/04/64/1413210464.db2.gz IYPCSSPMASKNQV-HXUWFJFHSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)CCCCC1 ZINC001700101262 1413518886 /nfs/dbraw/zinc/51/88/86/1413518886.db2.gz XQOGSVLKLBXHGB-WGSAOQKQSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001700190678 1413619257 /nfs/dbraw/zinc/61/92/57/1413619257.db2.gz HTKZUEWFFNZCKM-QGZVFWFLSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)CC1(C)C ZINC001700293249 1413749545 /nfs/dbraw/zinc/74/95/45/1413749545.db2.gz CPXRDGMZULOPCQ-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700365052 1413886357 /nfs/dbraw/zinc/88/63/57/1413886357.db2.gz XIUFSYNPSGJGDA-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001700459796 1414055461 /nfs/dbraw/zinc/05/54/61/1414055461.db2.gz DZOSKUFROKWGHT-SJLPKXTDSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001700459795 1414055659 /nfs/dbraw/zinc/05/56/59/1414055659.db2.gz DZOSKUFROKWGHT-FUHWJXTLSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001700487720 1414136090 /nfs/dbraw/zinc/13/60/90/1414136090.db2.gz NQZFCGKHSRPTPB-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)Cc2cc(C)ccc2C)CC1 ZINC001700697235 1414355420 /nfs/dbraw/zinc/35/54/20/1414355420.db2.gz XUIQGBBHYHWGIQ-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CCc1cccc(C[NH+]2CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]2C)c1 ZINC001700885930 1414544439 /nfs/dbraw/zinc/54/44/39/1414544439.db2.gz AIDZQEAMWIPTLD-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCC1 ZINC001700890978 1414550447 /nfs/dbraw/zinc/55/04/47/1414550447.db2.gz XZLGVLFJWASBHM-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1C)C(C)(C)C)[NH+](C)C ZINC001700993174 1414638630 /nfs/dbraw/zinc/63/86/30/1414638630.db2.gz QNEZXXWVRZZMKS-OALUTQOASA-N 2 0 347.547 3.264 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001707065140 1417179759 /nfs/dbraw/zinc/17/97/59/1417179759.db2.gz VOAODIFOHJBHTJ-HCXYKTFWSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001707090047 1417196089 /nfs/dbraw/zinc/19/60/89/1417196089.db2.gz GRZLQPCXSHTCBU-IYARVYRRSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001707434427 1417339048 /nfs/dbraw/zinc/33/90/48/1417339048.db2.gz DSTLFGYSOXTMAI-FXAWDEMLSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001733053838 1429194891 /nfs/dbraw/zinc/19/48/91/1429194891.db2.gz GLIVUPYUYWMCGP-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001713097004 1417646519 /nfs/dbraw/zinc/64/65/19/1417646519.db2.gz KMGPWTULBWVDAE-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001713267124 1417876105 /nfs/dbraw/zinc/87/61/05/1417876105.db2.gz JZMSCZAAQCSORT-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001713316708 1417942395 /nfs/dbraw/zinc/94/23/95/1417942395.db2.gz XKTRIOYSCYDDQI-INIZCTEOSA-N 2 0 345.531 3.063 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC001713339485 1417962925 /nfs/dbraw/zinc/96/29/25/1417962925.db2.gz JXBMEDARSHAREZ-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713396717 1418013644 /nfs/dbraw/zinc/01/36/44/1418013644.db2.gz CSHGHNCYWPPKLW-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001713455562 1418106970 /nfs/dbraw/zinc/10/69/70/1418106970.db2.gz GFCOJTTXGMWOLZ-KRWDZBQOSA-N 2 0 345.531 3.403 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001713496256 1418205334 /nfs/dbraw/zinc/20/53/34/1418205334.db2.gz OGRHNVDSDCXWJW-RHSMWYFYSA-N 2 0 339.911 3.179 20 0 EGADRP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001713719805 1418490730 /nfs/dbraw/zinc/49/07/30/1418490730.db2.gz IKOJVFAHZOLNGT-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001713788376 1418605373 /nfs/dbraw/zinc/60/53/73/1418605373.db2.gz FGADGBMGEUKWPH-DFQSSKMNSA-N 2 0 345.531 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001714021570 1418804893 /nfs/dbraw/zinc/80/48/93/1418804893.db2.gz OTHWZIVJHUCPTR-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001714045633 1418839747 /nfs/dbraw/zinc/83/97/47/1418839747.db2.gz OECAVWSNUOUOCG-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001714080663 1418874605 /nfs/dbraw/zinc/87/46/05/1418874605.db2.gz NQSMJBSJQUHXER-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001714105545 1418904989 /nfs/dbraw/zinc/90/49/89/1418904989.db2.gz ACCXEGFKMLXXDM-YLJYHZDGSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001714139689 1418941876 /nfs/dbraw/zinc/94/18/76/1418941876.db2.gz JIILQJAABIXBTA-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001714310680 1419091044 /nfs/dbraw/zinc/09/10/44/1419091044.db2.gz VWOMHRYARDUAHE-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001714416918 1419154105 /nfs/dbraw/zinc/15/41/05/1419154105.db2.gz GJNCEQAWEMPBNL-OALUTQOASA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714442954 1419175116 /nfs/dbraw/zinc/17/51/16/1419175116.db2.gz QZOJFVMTRDPCAU-HKUYNNGSSA-N 2 0 345.531 3.130 20 0 EGADRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCCCCC1 ZINC001714494643 1419218505 /nfs/dbraw/zinc/21/85/05/1419218505.db2.gz JIAWNMHYFUZDJV-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001714495021 1419219081 /nfs/dbraw/zinc/21/90/81/1419219081.db2.gz MADQWGMLDHQFAJ-MOPGFXCFSA-N 2 0 345.531 3.272 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)[C@@H](C)c1cccc(C)c1 ZINC001714591751 1419339896 /nfs/dbraw/zinc/33/98/96/1419339896.db2.gz DXZXZXGGHWXDNG-SFHVURJKSA-N 2 0 347.547 3.472 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCCC1 ZINC001714607030 1419365181 /nfs/dbraw/zinc/36/51/81/1419365181.db2.gz KSONEVLQFLCGFU-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1ccccc1C ZINC001714618337 1419381782 /nfs/dbraw/zinc/38/17/82/1419381782.db2.gz KQUXLAMSKNSFKU-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1cccc(F)c1 ZINC001714653674 1419433092 /nfs/dbraw/zinc/43/30/92/1419433092.db2.gz CHMLDRXKUSAEAT-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001714675242 1419467457 /nfs/dbraw/zinc/46/74/57/1419467457.db2.gz KHWPEBRXZZQYJH-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001714733094 1419487117 /nfs/dbraw/zinc/48/71/17/1419487117.db2.gz YHJYAEQEAPDCOR-KRWDZBQOSA-N 2 0 345.531 3.088 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001714863697 1419587937 /nfs/dbraw/zinc/58/79/37/1419587937.db2.gz VERSXDUVTKBPLT-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001714884395 1419623864 /nfs/dbraw/zinc/62/38/64/1419623864.db2.gz ZBCCVMUSAKHUOF-ZWKOTPCHSA-N 2 0 331.504 3.060 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)C1CCCCC1 ZINC001715191320 1419922970 /nfs/dbraw/zinc/92/29/70/1419922970.db2.gz WAZWYVZWGJQITI-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001715326024 1420032878 /nfs/dbraw/zinc/03/28/78/1420032878.db2.gz DRBBBFFGRNXZRZ-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001715536113 1420230544 /nfs/dbraw/zinc/23/05/44/1420230544.db2.gz IIXILCNCBYSCFK-HXUWFJFHSA-N 2 0 347.547 3.088 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001716072159 1420528051 /nfs/dbraw/zinc/52/80/51/1420528051.db2.gz CLJHDMGZOFSGCO-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)cc1C ZINC001716494943 1420718490 /nfs/dbraw/zinc/71/84/90/1420718490.db2.gz CMECYSJPDUISFJ-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716507344 1420738381 /nfs/dbraw/zinc/73/83/81/1420738381.db2.gz CKWKLEAQOYQPAM-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001716768899 1420913889 /nfs/dbraw/zinc/91/38/89/1420913889.db2.gz HTQPAFMAKPRMTP-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1)C1CCC1 ZINC001716885114 1421008630 /nfs/dbraw/zinc/00/86/30/1421008630.db2.gz FLRLHLXVTIXUTB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)NCc1ccc([C@H](C)[NH2+]CC2CCCC2)cc1)[NH+](C)C ZINC001717115447 1421119410 /nfs/dbraw/zinc/11/94/10/1421119410.db2.gz MBAZRMQMLPDDFC-OXJNMPFZSA-N 2 0 345.531 3.484 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001717144807 1421137642 /nfs/dbraw/zinc/13/76/42/1421137642.db2.gz ZONJKTROCRPXRC-MSOLQXFVSA-N 2 0 334.508 3.097 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001717201103 1421168509 /nfs/dbraw/zinc/16/85/09/1421168509.db2.gz SRSXEEBVXLCEPX-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001717450063 1421380048 /nfs/dbraw/zinc/38/00/48/1421380048.db2.gz YTCZGUCNVWTGEG-UHFFFAOYSA-N 2 0 349.494 3.027 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001717730896 1421597058 /nfs/dbraw/zinc/59/70/58/1421597058.db2.gz FIQHSDRWYGCPBG-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(CC)cc2)[C@H]1C ZINC001717861627 1421674659 /nfs/dbraw/zinc/67/46/59/1421674659.db2.gz ZANUPWCZLHXAGK-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001733333635 1429518785 /nfs/dbraw/zinc/51/87/85/1429518785.db2.gz NCHHHKAWRNMQFM-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001733333633 1429518953 /nfs/dbraw/zinc/51/89/53/1429518953.db2.gz NCHHHKAWRNMQFM-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC(C[NH+]2CCC(C)(CNC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001733453743 1429667693 /nfs/dbraw/zinc/66/76/93/1429667693.db2.gz SVDJPMKEEXPKAB-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1[NH2+]C(C)C ZINC001723377181 1424377649 /nfs/dbraw/zinc/37/76/49/1424377649.db2.gz JFHSHJDAQAVZMD-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1cc(C)c(C[N@H+]2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001724172673 1424707177 /nfs/dbraw/zinc/70/71/77/1424707177.db2.gz DRGYVQIHPCVTNU-NRFANRHFSA-N 2 0 345.531 3.034 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC001724188740 1424721835 /nfs/dbraw/zinc/72/18/35/1424721835.db2.gz HWOXPKHYMXRFLS-LJQANCHMSA-N 2 0 349.544 3.013 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCC3CCCC3)C[C@H]21 ZINC001724657394 1425024942 /nfs/dbraw/zinc/02/49/42/1425024942.db2.gz BWZMSBYIUYUMBV-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001733568651 1429771713 /nfs/dbraw/zinc/77/17/13/1429771713.db2.gz KFZNDFLNHFFECZ-WGSAOQKQSA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001724782902 1425148355 /nfs/dbraw/zinc/14/83/55/1425148355.db2.gz AJOQBYORBFLKCR-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725030922 1425450416 /nfs/dbraw/zinc/45/04/16/1425450416.db2.gz NXMSSBNPBYHDGJ-DHJFXDNESA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001725030799 1425450596 /nfs/dbraw/zinc/45/05/96/1425450596.db2.gz VLGUOVWUHNZFDO-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1C[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001725240294 1425842414 /nfs/dbraw/zinc/84/24/14/1425842414.db2.gz HXVFDLVKAVEXQD-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCCC(C)(C)C ZINC001725618242 1426282015 /nfs/dbraw/zinc/28/20/15/1426282015.db2.gz DZCNELIPEDTEMG-FUHWJXTLSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001731553654 1427577117 /nfs/dbraw/zinc/57/71/17/1427577117.db2.gz IEJIKEOYWMKIOE-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001731613995 1427660347 /nfs/dbraw/zinc/66/03/47/1427660347.db2.gz DNQFAXCCYXAZQS-IRXDYDNUSA-N 2 0 345.531 3.307 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001731786339 1427920141 /nfs/dbraw/zinc/92/01/41/1427920141.db2.gz QHNVFWUPMPZHAE-WOJBJXKFSA-N 2 0 345.531 3.449 20 0 EGADRP CC[C@@H](c1ccc(Cl)cc1)[N@H+](CC)CCNC(=O)Cc1c[nH]cn1 ZINC001731812832 1427998508 /nfs/dbraw/zinc/99/85/08/1427998508.db2.gz GLCJRPOWWABOMX-KRWDZBQOSA-N 2 0 348.878 3.195 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001731880072 1428149200 /nfs/dbraw/zinc/14/92/00/1428149200.db2.gz ATNNNOXDHYMDDU-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001733761736 1429976481 /nfs/dbraw/zinc/97/64/81/1429976481.db2.gz ADYXVKQRPXOYJQ-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP CN(CCC[N@H+](C)[C@H]1CCCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001733775458 1430019051 /nfs/dbraw/zinc/01/90/51/1430019051.db2.gz GEDWWZXHKTXHJQ-FQEVSTJZSA-N 2 0 345.531 3.186 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001733783158 1430051993 /nfs/dbraw/zinc/05/19/93/1430051993.db2.gz WPYQHTZKFCMTLG-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CC(C)C)C2)[NH+](CC)CC ZINC001733836266 1430108596 /nfs/dbraw/zinc/10/85/96/1430108596.db2.gz SUIWNSNSQARRIF-HXUWFJFHSA-N 2 0 345.531 3.395 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001733901187 1437718838 /nfs/dbraw/zinc/71/88/38/1437718838.db2.gz MZGWXNGBXQFLQO-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001733901185 1437718905 /nfs/dbraw/zinc/71/89/05/1437718905.db2.gz MZGWXNGBXQFLQO-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001733902343 1437720244 /nfs/dbraw/zinc/72/02/44/1437720244.db2.gz RLUIUOAMPXRFEU-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001733902124 1437720249 /nfs/dbraw/zinc/72/02/49/1437720249.db2.gz SYSJEHKMSWAKHD-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1C ZINC001733938076 1437752758 /nfs/dbraw/zinc/75/27/58/1437752758.db2.gz MXHSEJKUFLAKIQ-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733941702 1437758355 /nfs/dbraw/zinc/75/83/55/1437758355.db2.gz SCNIVFOQKCFHBK-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001734303422 1438034787 /nfs/dbraw/zinc/03/47/87/1438034787.db2.gz UHJWVPZCLRDOFU-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001734357657 1438074812 /nfs/dbraw/zinc/07/48/12/1438074812.db2.gz SMTCETDLCUXGAD-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCC(C)CC1 ZINC001751974749 1440129855 /nfs/dbraw/zinc/12/98/55/1440129855.db2.gz KAEQTFOKHPPEKL-ACBHZAAOSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)CC2CCC(C)(C)CC2)CCC1 ZINC001751989208 1440131354 /nfs/dbraw/zinc/13/13/54/1440131354.db2.gz IXHANDBZWWXXOA-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)NCCC[N@@H+](C)CC1CCCC1 ZINC001752009947 1440132291 /nfs/dbraw/zinc/13/22/91/1440132291.db2.gz ZBCKEGYHICGIOT-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001752160226 1440148842 /nfs/dbraw/zinc/14/88/42/1440148842.db2.gz ZKEOFPQDULFIRZ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CCCCCC1 ZINC001752209649 1440154695 /nfs/dbraw/zinc/15/46/95/1440154695.db2.gz BRFZRIYCEUFMSC-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001752310259 1440169859 /nfs/dbraw/zinc/16/98/59/1440169859.db2.gz MHIBLRUMDWIAHS-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@H](C[N@H+](C)CCCC2CCC2)C1)C1CCC1 ZINC001752507924 1440189633 /nfs/dbraw/zinc/18/96/33/1440189633.db2.gz ISCYMVXCPOUGKO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]([NH2+]CC2CCCCCC2)C2CC2)CC1 ZINC001752509553 1440190165 /nfs/dbraw/zinc/19/01/65/1440190165.db2.gz BYJSWFANQJDFBA-FQEVSTJZSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527657 1440193543 /nfs/dbraw/zinc/19/35/43/1440193543.db2.gz LVIGHMQNHHYCQR-OALUTQOASA-N 2 0 345.531 3.260 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752654855 1440198250 /nfs/dbraw/zinc/19/82/50/1440198250.db2.gz DYDJXLUMLRSFOF-MTNOOBJLSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001752686801 1440200015 /nfs/dbraw/zinc/20/00/15/1440200015.db2.gz BBMWHGDUCNEWPY-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)c1 ZINC001752687331 1440200029 /nfs/dbraw/zinc/20/00/29/1440200029.db2.gz MGFYZCTYAMKURO-IYARVYRRSA-N 2 0 331.504 3.035 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752775183 1440206713 /nfs/dbraw/zinc/20/67/13/1440206713.db2.gz GZVYZIIIFCEDNT-OTWHNJEPSA-N 2 0 337.552 3.170 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001752787221 1440211797 /nfs/dbraw/zinc/21/17/97/1440211797.db2.gz IZSVWJHDPKMJNJ-MOPGFXCFSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001752812428 1440216902 /nfs/dbraw/zinc/21/69/02/1440216902.db2.gz XWYXYCBYYVZSKO-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001752818850 1440219373 /nfs/dbraw/zinc/21/93/73/1440219373.db2.gz KDSGUZZTMACPDG-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001752822346 1440221167 /nfs/dbraw/zinc/22/11/67/1440221167.db2.gz FJYNCUFZSPHJOH-RRFGBZISSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001752828004 1440224373 /nfs/dbraw/zinc/22/43/73/1440224373.db2.gz WNNZPBZDWDIPGF-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752877001 1440238274 /nfs/dbraw/zinc/23/82/74/1440238274.db2.gz KVSRCNNLEFMFPL-WMZOPIPTSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C1CC1 ZINC001752899636 1440242573 /nfs/dbraw/zinc/24/25/73/1440242573.db2.gz DGRMRLRWABPVMM-MRXNPFEDSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001752948848 1440251855 /nfs/dbraw/zinc/25/18/55/1440251855.db2.gz GGNLIKIPCATSBK-SXLOBPIMSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752949484 1440251941 /nfs/dbraw/zinc/25/19/41/1440251941.db2.gz LXHZBLLKMVVMLY-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001752954632 1440252504 /nfs/dbraw/zinc/25/25/04/1440252504.db2.gz VDXYCFYQDLENMR-UEKDZROGSA-N 2 0 343.515 3.156 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001752961019 1440253297 /nfs/dbraw/zinc/25/32/97/1440253297.db2.gz WIXJNDYGZXMVQU-FQEVSTJZSA-N 2 0 349.563 3.271 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CCCCCC3)C2)CCC1 ZINC001752972094 1440255235 /nfs/dbraw/zinc/25/52/35/1440255235.db2.gz TYNWISDJZRJRPP-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[C@H]([NH2+]CCCCCF)C1)[NH+]1CCCC1 ZINC001752973809 1440255609 /nfs/dbraw/zinc/25/56/09/1440255609.db2.gz MYMPHTOKMFDSQX-IRXDYDNUSA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752991757 1440259776 /nfs/dbraw/zinc/25/97/76/1440259776.db2.gz XSLBHCMZZFFIQF-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753015700 1440268260 /nfs/dbraw/zinc/26/82/60/1440268260.db2.gz AMRGEFBRFKNOCQ-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001753035754 1440274646 /nfs/dbraw/zinc/27/46/46/1440274646.db2.gz JVQUHJLPVTZZPD-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1C ZINC001753050391 1440279314 /nfs/dbraw/zinc/27/93/14/1440279314.db2.gz XZRSLJCDFOYQOE-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CCCCCC1 ZINC001753052895 1440280138 /nfs/dbraw/zinc/28/01/38/1440280138.db2.gz JEYMBQSGTWBGGA-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001753055225 1440281133 /nfs/dbraw/zinc/28/11/33/1440281133.db2.gz LTBLDZBWSPABFW-VQTJNVASSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCCC1 ZINC001753085303 1440295849 /nfs/dbraw/zinc/29/58/49/1440295849.db2.gz VOTTVYGPJQXLAJ-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)CC1CCCCC1 ZINC001753091615 1440299567 /nfs/dbraw/zinc/29/95/67/1440299567.db2.gz CGGGEMXDYNNFQN-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001753136352 1440319067 /nfs/dbraw/zinc/31/90/67/1440319067.db2.gz UIIQCILDLAYVJF-VQTJNVASSA-N 2 0 345.531 3.054 20 0 EGADRP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001753216918 1440339753 /nfs/dbraw/zinc/33/97/53/1440339753.db2.gz NLEKPBSDUKMUFI-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001753265871 1440344801 /nfs/dbraw/zinc/34/48/01/1440344801.db2.gz RPZGXDJVELGTAY-KRWDZBQOSA-N 2 0 339.483 3.171 20 0 EGADRP C[C@@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001753276887 1440346532 /nfs/dbraw/zinc/34/65/32/1440346532.db2.gz BKVDAFWXEVVQQI-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccc(C(C)C)cc1 ZINC001753294219 1440351427 /nfs/dbraw/zinc/35/14/27/1440351427.db2.gz HQTAKIVLGNDAAD-LJQANCHMSA-N 2 0 343.515 3.205 20 0 EGADRP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001753318170 1440361035 /nfs/dbraw/zinc/36/10/35/1440361035.db2.gz DPTHMWRNMOEOLC-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001753322878 1440364544 /nfs/dbraw/zinc/36/45/44/1440364544.db2.gz KNDLECUKVLDIDH-LJQANCHMSA-N 2 0 331.504 3.083 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753445414 1440403559 /nfs/dbraw/zinc/40/35/59/1440403559.db2.gz LLUBHARBADTFQZ-MOPGFXCFSA-N 2 0 337.552 3.362 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753457474 1440408937 /nfs/dbraw/zinc/40/89/37/1440408937.db2.gz RBEUNOLZIWFOJU-FGTMMUONSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001753462688 1440411795 /nfs/dbraw/zinc/41/17/95/1440411795.db2.gz ZEENKVUAJJNEOU-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CCCCCC1 ZINC001753473688 1440414736 /nfs/dbraw/zinc/41/47/36/1440414736.db2.gz MAYLKVOKFFYBOJ-BHIYHBOVSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001753506902 1440424782 /nfs/dbraw/zinc/42/47/82/1440424782.db2.gz GLEYLVUKNGHIBS-SLXDBMQSSA-N 2 0 335.536 3.092 20 0 EGADRP CC[C@@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC001753508209 1440425075 /nfs/dbraw/zinc/42/50/75/1440425075.db2.gz ZXSJEUJFUYUSOS-GOSISDBHSA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001753535062 1440432234 /nfs/dbraw/zinc/43/22/34/1440432234.db2.gz CFKZGGLFMWKKIW-AZUAARDMSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753562143 1440437088 /nfs/dbraw/zinc/43/70/88/1440437088.db2.gz JQXXVBWVBPLLDW-GOSISDBHSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001753570536 1440438330 /nfs/dbraw/zinc/43/83/30/1440438330.db2.gz GZGHKXUZWVVGKA-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001753586823 1440441496 /nfs/dbraw/zinc/44/14/96/1440441496.db2.gz CXRQRUOLFOSQFD-CXLTZZKYSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001753598520 1440445546 /nfs/dbraw/zinc/44/55/46/1440445546.db2.gz KNJXMAIQEBZVHM-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001753645423 1440455692 /nfs/dbraw/zinc/45/56/92/1440455692.db2.gz ZEYMRKHDKBPIPO-FUHWJXTLSA-N 2 0 333.520 3.047 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001753725366 1440474246 /nfs/dbraw/zinc/47/42/46/1440474246.db2.gz CSYVNEMGIGQINS-DLBZAZTESA-N 2 0 349.494 3.027 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001753749759 1440482173 /nfs/dbraw/zinc/48/21/73/1440482173.db2.gz PYAJZCIHVIMWJE-OALUTQOASA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CC[NH2+]CCC2CCCC2)CC1 ZINC001753786356 1440488225 /nfs/dbraw/zinc/48/82/25/1440488225.db2.gz YIGKRXICFLRKMV-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001753798258 1440490228 /nfs/dbraw/zinc/49/02/28/1440490228.db2.gz WJYAJVXIOWDEGO-AZUAARDMSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001753810531 1440492602 /nfs/dbraw/zinc/49/26/02/1440492602.db2.gz BEOLOPWEGVLKMF-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001753812610 1440493078 /nfs/dbraw/zinc/49/30/78/1440493078.db2.gz FVBFIDHONLFMBL-PMACEKPBSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001753812612 1440493146 /nfs/dbraw/zinc/49/31/46/1440493146.db2.gz FVBFIDHONLFMBL-VQTJNVASSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001753814389 1440493393 /nfs/dbraw/zinc/49/33/93/1440493393.db2.gz QCUCMIGZEBBLDM-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753814966 1440493525 /nfs/dbraw/zinc/49/35/25/1440493525.db2.gz HWDFPKLRQDGPOW-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001753855859 1440508796 /nfs/dbraw/zinc/50/87/96/1440508796.db2.gz MDHGJXKCSBEHEM-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001753887950 1440521609 /nfs/dbraw/zinc/52/16/09/1440521609.db2.gz LJWKRYMXWUOVNL-NVXWUHKLSA-N 2 0 349.544 3.264 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC2CC2)CCCCC1 ZINC001753891451 1440522163 /nfs/dbraw/zinc/52/21/63/1440522163.db2.gz LGAOEWGKOAOJGL-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001753903040 1440523712 /nfs/dbraw/zinc/52/37/12/1440523712.db2.gz UWBBFCMUNPXZKS-WOJBJXKFSA-N 2 0 347.547 3.237 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754024944 1440533108 /nfs/dbraw/zinc/53/31/08/1440533108.db2.gz AJTTXKJBJBJDTD-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754045549 1440535005 /nfs/dbraw/zinc/53/50/05/1440535005.db2.gz SPZJFBWCRADLHF-PKOBYXMFSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001754102951 1440541398 /nfs/dbraw/zinc/54/13/98/1440541398.db2.gz GXQORXOBGBYYBK-VMLVWOMUSA-N 2 0 349.906 3.147 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001754228521 1440553619 /nfs/dbraw/zinc/55/36/19/1440553619.db2.gz LGKWQOQAJFDCBS-QUCCMNQESA-N 2 0 345.531 3.081 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001754344998 1440589601 /nfs/dbraw/zinc/58/96/01/1440589601.db2.gz KGRIRAJPAVWBGU-VQIMIIECSA-N 2 0 342.487 3.177 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)C[N@H+](C)C2CCC2)C2CC2)c1 ZINC001754443452 1440599588 /nfs/dbraw/zinc/59/95/88/1440599588.db2.gz XYEFGQVIVLAZHC-UZLBHIALSA-N 2 0 343.515 3.025 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CC=C(C)C ZINC001754468539 1440604841 /nfs/dbraw/zinc/60/48/41/1440604841.db2.gz OXBROMDQCCFBKM-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CC1CCCC1 ZINC001754468685 1440604913 /nfs/dbraw/zinc/60/49/13/1440604913.db2.gz VPTDIILNEWGJPQ-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001754504059 1440615503 /nfs/dbraw/zinc/61/55/03/1440615503.db2.gz CMKNPGOLRJKJLA-WYNBNGFRSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC001754523807 1440620375 /nfs/dbraw/zinc/62/03/75/1440620375.db2.gz ITUCDVGPOXMQPY-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC001754527974 1440621671 /nfs/dbraw/zinc/62/16/71/1440621671.db2.gz XIPZHEHAFGNTCP-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1)[NH+]1CCCCCC1 ZINC001754527977 1440621716 /nfs/dbraw/zinc/62/17/16/1440621716.db2.gz XISPRFMFUFOOOA-XBMUEBEBSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001754531673 1440622779 /nfs/dbraw/zinc/62/27/79/1440622779.db2.gz KCOCIZDFMDFQLR-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001754540786 1440626182 /nfs/dbraw/zinc/62/61/82/1440626182.db2.gz GEEKBRLDRRAVJM-UMQXSMKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCCCC1 ZINC001754545533 1440627424 /nfs/dbraw/zinc/62/74/24/1440627424.db2.gz NQTHMFXHPRGNGY-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP CC[C@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001754548045 1440628535 /nfs/dbraw/zinc/62/85/35/1440628535.db2.gz BGCFVOABIHWCRW-KRWDZBQOSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001754601929 1440642603 /nfs/dbraw/zinc/64/26/03/1440642603.db2.gz WQJDCTFVRBDAKQ-FYVKXAJJSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001754611727 1440643822 /nfs/dbraw/zinc/64/38/22/1440643822.db2.gz PYDNVXWDDDNEMM-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001754616057 1440644451 /nfs/dbraw/zinc/64/44/51/1440644451.db2.gz NIPHQPSJXKRGOX-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001754680113 1440661749 /nfs/dbraw/zinc/66/17/49/1440661749.db2.gz HDNBGUCQVWSFSR-QFBILLFUSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001754703715 1440668480 /nfs/dbraw/zinc/66/84/80/1440668480.db2.gz TTYBIPAONVSLST-CUWPLCDZSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730214 1440678599 /nfs/dbraw/zinc/67/85/99/1440678599.db2.gz VMFDMMPOIDHKMJ-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1CC ZINC001754788742 1440688221 /nfs/dbraw/zinc/68/82/21/1440688221.db2.gz FUQKCRWBEWBKDI-FQEVSTJZSA-N 2 0 345.531 3.138 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001754831409 1440695307 /nfs/dbraw/zinc/69/53/07/1440695307.db2.gz APKZHRRCOYACKI-FNLKRUPLSA-N 2 0 349.563 3.409 20 0 EGADRP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001754835467 1440696708 /nfs/dbraw/zinc/69/67/08/1440696708.db2.gz HEHDMQKDEILQDK-IYARVYRRSA-N 2 0 345.531 3.284 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754866970 1440703105 /nfs/dbraw/zinc/70/31/05/1440703105.db2.gz GEHMCILZXIJKJK-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001754868251 1440703838 /nfs/dbraw/zinc/70/38/38/1440703838.db2.gz OBMZDWRWKSTJCT-IPMKNSEASA-N 2 0 337.552 3.218 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC001754869857 1440704728 /nfs/dbraw/zinc/70/47/28/1440704728.db2.gz QTCJWQWZQJCXII-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001754953919 1440715792 /nfs/dbraw/zinc/71/57/92/1440715792.db2.gz QQPLYAIJHTXERI-WGSAOQKQSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001755029921 1440730723 /nfs/dbraw/zinc/73/07/23/1440730723.db2.gz SPUGJFPIXOHSSW-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034642 1440733479 /nfs/dbraw/zinc/73/34/79/1440733479.db2.gz VQBAWOBIAVKNTR-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755043618 1440739077 /nfs/dbraw/zinc/73/90/77/1440739077.db2.gz AKNOZBOHBUCCBZ-DLBZAZTESA-N 2 0 349.494 3.009 20 0 EGADRP CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001755068631 1440745801 /nfs/dbraw/zinc/74/58/01/1440745801.db2.gz ANPIGHMGOKAPBS-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001755073370 1440747449 /nfs/dbraw/zinc/74/74/49/1440747449.db2.gz RHUMZGUBGFJHLT-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001755079448 1440750606 /nfs/dbraw/zinc/75/06/06/1440750606.db2.gz KKCVSOJPLGCDHC-ZJOUEHCJSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001755135565 1440758045 /nfs/dbraw/zinc/75/80/45/1440758045.db2.gz VADQWCIWGGVLKW-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001755162968 1440765399 /nfs/dbraw/zinc/76/53/99/1440765399.db2.gz BOYJRNXEROJVJB-MJGOQNOKSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001755165854 1440767156 /nfs/dbraw/zinc/76/71/56/1440767156.db2.gz SYNORJJIXNDMGN-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001755185162 1440772863 /nfs/dbraw/zinc/77/28/63/1440772863.db2.gz POIOYPBQWLWVRY-XUVXKRRUSA-N 2 0 343.515 3.203 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755193613 1440775737 /nfs/dbraw/zinc/77/57/37/1440775737.db2.gz CLBZONZAIXVUHT-ZMBJWTFHSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001755194185 1440776119 /nfs/dbraw/zinc/77/61/19/1440776119.db2.gz OUOLCICCMOBJCK-SFHVURJKSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001755215784 1440783941 /nfs/dbraw/zinc/78/39/41/1440783941.db2.gz BJPUEVKBLVHTDO-VHBXLISGSA-N 2 0 347.547 3.092 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001755253469 1440792485 /nfs/dbraw/zinc/79/24/85/1440792485.db2.gz LEFATHSQKISCET-HOTGVXAUSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001755255069 1440793030 /nfs/dbraw/zinc/79/30/30/1440793030.db2.gz CPQPKKABLCTAGF-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCC1=CCCCC1 ZINC001755314046 1440814876 /nfs/dbraw/zinc/81/48/76/1440814876.db2.gz RGAFHFNRXFITCA-SCTDSRPQSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001755318947 1440817134 /nfs/dbraw/zinc/81/71/34/1440817134.db2.gz DUTDSLPHURKMKK-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@@H]([NH2+]CC=C(C)C)C(C)C)CC[N@@H+]1C ZINC001755339672 1440824629 /nfs/dbraw/zinc/82/46/29/1440824629.db2.gz LSRACRBBLQKESX-IPMKNSEASA-N 2 0 337.552 3.146 20 0 EGADRP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001755339444 1440824740 /nfs/dbraw/zinc/82/47/40/1440824740.db2.gz JQPLRWXCMNVUCL-WOJBJXKFSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001755366051 1440834511 /nfs/dbraw/zinc/83/45/11/1440834511.db2.gz JJPGZNKYJPPOGE-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001755367832 1440835696 /nfs/dbraw/zinc/83/56/96/1440835696.db2.gz JARHCZDTVMHIES-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755389391 1440841639 /nfs/dbraw/zinc/84/16/39/1440841639.db2.gz VSQYVYCHNGDDJI-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755414971 1440848048 /nfs/dbraw/zinc/84/80/48/1440848048.db2.gz CNZDQYBRKXCXHT-SFFCAUCYSA-N 2 0 349.563 3.435 20 0 EGADRP O=C(N[C@H]1C[C@H](C[NH2+]CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001755474865 1440859266 /nfs/dbraw/zinc/85/92/66/1440859266.db2.gz RZHYFJGFFOUHRT-WGSAOQKQSA-N 2 0 347.547 3.070 20 0 EGADRP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001755477547 1440859586 /nfs/dbraw/zinc/85/95/86/1440859586.db2.gz XDCPUJIZFCBYGX-LNLFQRSKSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755513725 1440863872 /nfs/dbraw/zinc/86/38/72/1440863872.db2.gz UCVCGEVXGOMJJB-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755513724 1440863910 /nfs/dbraw/zinc/86/39/10/1440863910.db2.gz UCVCGEVXGOMJJB-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001755549067 1440871550 /nfs/dbraw/zinc/87/15/50/1440871550.db2.gz DSIARPMWACXYQT-UXHICEINSA-N 2 0 349.563 3.480 20 0 EGADRP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001755573925 1440877566 /nfs/dbraw/zinc/87/75/66/1440877566.db2.gz VMVGGTIRDUFSQP-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001755603803 1440884899 /nfs/dbraw/zinc/88/48/99/1440884899.db2.gz ISGNWKJGZTYNME-ROUUACIJSA-N 2 0 345.531 3.088 20 0 EGADRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC(C)CC1 ZINC001755617787 1440889477 /nfs/dbraw/zinc/88/94/77/1440889477.db2.gz DZLRRKQCIDTISM-JLAWEPINSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755688730 1440896325 /nfs/dbraw/zinc/89/63/25/1440896325.db2.gz FDPFJPWWDPFMFR-OXUXSNCKSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1(C)C ZINC001755765767 1440916222 /nfs/dbraw/zinc/91/62/22/1440916222.db2.gz WRBGYQOLUUXEFB-KSGIUMMHSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001755817066 1440924030 /nfs/dbraw/zinc/92/40/30/1440924030.db2.gz BKQUDKDFFBZVHL-RTBURBONSA-N 2 0 337.552 3.242 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001755831271 1440928747 /nfs/dbraw/zinc/92/87/47/1440928747.db2.gz WKEZZOFYUANHCB-CWDJHMJFSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001755845966 1440933434 /nfs/dbraw/zinc/93/34/34/1440933434.db2.gz GPUIKHNYTISFQP-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001755850595 1440934797 /nfs/dbraw/zinc/93/47/97/1440934797.db2.gz JBFPGMLIWXYCSQ-ROUUACIJSA-N 2 0 339.568 3.226 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001755865917 1440937825 /nfs/dbraw/zinc/93/78/25/1440937825.db2.gz WMWDKMSVXLVLCZ-MHJFOBGBSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2(C3CC[NH+](CCC(C)(C)C)CC3)CC2)C1 ZINC001755869380 1440938659 /nfs/dbraw/zinc/93/86/59/1440938659.db2.gz DQYOMHXHAGTUQE-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001755869528 1440938778 /nfs/dbraw/zinc/93/87/78/1440938778.db2.gz JBNYSSGCQXSGLZ-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001755886977 1440940477 /nfs/dbraw/zinc/94/04/77/1440940477.db2.gz BJKVYLKHTIQISS-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP c1cnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c(C[NH+]2CCCC2)c1 ZINC001164420610 718893296 /nfs/dbraw/zinc/89/32/96/718893296.db2.gz VFCGHPAKYAEUBG-LJQANCHMSA-N 2 0 328.504 3.036 20 0 EGADRP COc1cc2cc[nH+]c(N3CCC(C[NH+](C)C)CC3)c2cc1OC ZINC000663396809 721945932 /nfs/dbraw/zinc/94/59/32/721945932.db2.gz FHIFJBGXAWSSTH-UHFFFAOYSA-N 2 0 329.444 3.030 20 0 EGADRP c1cc2c(cc[nH+]c2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001164955831 722013278 /nfs/dbraw/zinc/01/32/78/722013278.db2.gz ZYPFHBSQKFUPQL-UHFFFAOYSA-N 2 0 347.466 3.450 20 0 EGADRP Nc1cc[nH+]c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995140 722191187 /nfs/dbraw/zinc/19/11/87/722191187.db2.gz RXYQOCIIACAPTL-LJQANCHMSA-N 2 0 326.419 3.048 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000368131456 168314306 /nfs/dbraw/zinc/31/43/06/168314306.db2.gz AGNFZDFMUVELMJ-MRXNPFEDSA-N 2 0 328.460 3.142 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCc1ccccc1Cl ZINC000368182002 168321957 /nfs/dbraw/zinc/32/19/57/168321957.db2.gz SUOLTVJTXTXRBA-NZSAHSFTSA-N 2 0 336.907 3.456 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531043 168368569 /nfs/dbraw/zinc/36/85/69/168368569.db2.gz SDYKAFBJIQXQGT-SESVDKBCSA-N 2 0 329.532 3.219 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093088846 282241497 /nfs/dbraw/zinc/24/14/97/282241497.db2.gz PWKPFBAJTLPOOS-UHFFFAOYSA-N 2 0 326.488 3.263 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1F ZINC000370635039 168522343 /nfs/dbraw/zinc/52/23/43/168522343.db2.gz NPJMNMZZDQKZIT-DNVCBOLYSA-N 2 0 337.458 3.174 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCc3ccccc3Cl)CC2)CC1 ZINC000370686974 168528770 /nfs/dbraw/zinc/52/87/70/168528770.db2.gz ASIAQFMUPCLLMK-UHFFFAOYSA-N 2 0 349.950 3.373 20 0 EGADRP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630332 234259393 /nfs/dbraw/zinc/25/93/93/234259393.db2.gz JYHBWHPRFPVYEP-QFBILLFUSA-N 2 0 343.515 3.131 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358504898 283188319 /nfs/dbraw/zinc/18/83/19/283188319.db2.gz JPYBTNPMUQLNAX-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000236818005 201147464 /nfs/dbraw/zinc/14/74/64/201147464.db2.gz MRGLCYKCUHCSIY-UHFFFAOYSA-N 2 0 341.293 3.290 20 0 EGADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000269080504 201231093 /nfs/dbraw/zinc/23/10/93/201231093.db2.gz ZLSNPZLATJQOCE-HNNXBMFYSA-N 2 0 331.287 3.491 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272880090 201253061 /nfs/dbraw/zinc/25/30/61/201253061.db2.gz XQZZYPRNQXOZEP-AEFFLSMTSA-N 2 0 332.488 3.218 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193206988 240059271 /nfs/dbraw/zinc/05/92/71/240059271.db2.gz AIVSQZHIPDOOQZ-INIZCTEOSA-N 2 0 336.888 3.258 20 0 EGADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1Br ZINC000227330513 242130413 /nfs/dbraw/zinc/13/04/13/242130413.db2.gz WZMCEOKYPCEUQH-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000236723459 242336162 /nfs/dbraw/zinc/33/61/62/242336162.db2.gz JHLJMAHBHXWTCH-IBGZPJMESA-N 2 0 341.499 3.247 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000236866560 242389161 /nfs/dbraw/zinc/38/91/61/242389161.db2.gz BOOWZQFTHWVCFM-IBGZPJMESA-N 2 0 325.456 3.428 20 0 EGADRP Brc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246084614 243189808 /nfs/dbraw/zinc/18/98/08/243189808.db2.gz ZCOUMQSWDNKCGA-GJZGRUSLSA-N 2 0 339.277 3.044 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000361519037 296122886 /nfs/dbraw/zinc/12/28/86/296122886.db2.gz MHGIXIUMCDXRLW-SFHVURJKSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000154941009 296147094 /nfs/dbraw/zinc/14/70/94/296147094.db2.gz KMRVRKVBMUKBNL-QWHCGFSZSA-N 2 0 330.303 3.280 20 0 EGADRP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC1CC[NH2+]CC1 ZINC000237008339 204280519 /nfs/dbraw/zinc/28/05/19/204280519.db2.gz HXDBDBKXEKGEOV-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125801616 205027017 /nfs/dbraw/zinc/02/70/17/205027017.db2.gz HWYSBOXSHRURGO-ZWKOTPCHSA-N 2 0 334.504 3.483 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000125844319 205028360 /nfs/dbraw/zinc/02/83/60/205028360.db2.gz HRMJPOQQLSFYDC-DLBZAZTESA-N 2 0 345.487 3.414 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(SC(F)F)cc1)N1CC[NH+](C)CC1 ZINC000127772244 205117148 /nfs/dbraw/zinc/11/71/48/205117148.db2.gz RILUVFBTPTXNQO-ZIAGYGMSSA-N 2 0 343.487 3.288 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000128062640 205130472 /nfs/dbraw/zinc/13/04/72/205130472.db2.gz IRQVXBKZZFBLEW-YSGRDPCXSA-N 2 0 334.479 3.287 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131280205 205279927 /nfs/dbraw/zinc/27/99/27/205279927.db2.gz AQKFJTUFFIBHMR-WVATUKLVSA-N 2 0 331.287 3.345 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3nc(-c4ccccc4)no3)CC[C@@H]21 ZINC000158853945 206213631 /nfs/dbraw/zinc/21/36/31/206213631.db2.gz OKIJDDKJXPFNTK-MSOLQXFVSA-N 2 0 340.471 3.085 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161516597 206353909 /nfs/dbraw/zinc/35/39/09/206353909.db2.gz QQSFKMZNPHFYIV-MRXNPFEDSA-N 2 0 327.875 3.157 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCC1 ZINC000165269236 206513917 /nfs/dbraw/zinc/51/39/17/206513917.db2.gz XKQLXKXNSWSTQM-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@H](O)c1ncc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000377540473 169038799 /nfs/dbraw/zinc/03/87/99/169038799.db2.gz JRCCXTLKKXAGBJ-PMPSAXMXSA-N 2 0 337.533 3.283 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268930463 255498275 /nfs/dbraw/zinc/49/82/75/255498275.db2.gz XEZXVHBCTKPNLQ-OAHLLOKOSA-N 2 0 336.476 3.009 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236907059 141000749 /nfs/dbraw/zinc/00/07/49/141000749.db2.gz JDRBFKQJHJCDBK-ZWKOTPCHSA-N 2 0 345.531 3.170 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237481529 141004030 /nfs/dbraw/zinc/00/40/30/141004030.db2.gz HZEZSIWLVYQJPN-JXFKEZNVSA-N 2 0 337.467 3.028 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237522838 141005959 /nfs/dbraw/zinc/00/59/59/141005959.db2.gz QSLCOIMLZAKHAS-JTDSTZFVSA-N 2 0 345.531 3.154 20 0 EGADRP C[C@]1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCC[NH2+]C1 ZINC000237577095 141008541 /nfs/dbraw/zinc/00/85/41/141008541.db2.gz ZSCHHQCOSCSJQP-NRFANRHFSA-N 2 0 343.515 3.069 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000246907191 141043452 /nfs/dbraw/zinc/04/34/52/141043452.db2.gz GDBNUUKTIYPFCG-RCLSDMTESA-N 2 0 344.547 3.002 20 0 EGADRP Cc1cnc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000341258538 141145953 /nfs/dbraw/zinc/14/59/53/141145953.db2.gz LQHHFPJKBCYBNC-QFBILLFUSA-N 2 0 326.488 3.119 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000346189765 141176471 /nfs/dbraw/zinc/17/64/71/141176471.db2.gz ZHNNIHLDYZRXEW-HNNXBMFYSA-N 2 0 339.468 3.412 20 0 EGADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000356829754 141350391 /nfs/dbraw/zinc/35/03/91/141350391.db2.gz AMMRJPAWCIRXFV-QGZVFWFLSA-N 2 0 339.483 3.327 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000178651142 144073961 /nfs/dbraw/zinc/07/39/61/144073961.db2.gz WDUVHKPZZAAKPS-LSDHHAIUSA-N 2 0 347.528 3.082 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[N@@H+]1C ZINC000344686482 144210128 /nfs/dbraw/zinc/21/01/28/144210128.db2.gz SEIKGKXKKLBJPU-QFBILLFUSA-N 2 0 325.456 3.233 20 0 EGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341380970 155258593 /nfs/dbraw/zinc/25/85/93/155258593.db2.gz QACDYARMEKKLHC-LCSXWQTCSA-N 2 0 348.453 3.323 20 0 EGADRP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)cc1OC ZINC000262236803 286301363 /nfs/dbraw/zinc/30/13/63/286301363.db2.gz OOHAROIWOLZOET-IBGZPJMESA-N 2 0 346.515 3.491 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)N(C4CC4)C3)cc2)n1 ZINC000119303469 152193965 /nfs/dbraw/zinc/19/39/65/152193965.db2.gz YTCLIEOVXWAUSF-RHSMWYFYSA-N 2 0 340.471 3.056 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000121335991 152344828 /nfs/dbraw/zinc/34/48/28/152344828.db2.gz UQYJDSSEUQTNJE-RXVVDRJESA-N 2 0 329.532 3.317 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000193165749 153280832 /nfs/dbraw/zinc/28/08/32/153280832.db2.gz MMTFILBRNJEIQM-PXNSSMCTSA-N 2 0 344.499 3.345 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000261966799 153758354 /nfs/dbraw/zinc/75/83/54/153758354.db2.gz PODKDOPFAZTSFY-NSHDSACASA-N 2 0 344.286 3.381 20 0 EGADRP CCOc1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)ccc1O ZINC000309732969 154140030 /nfs/dbraw/zinc/14/00/30/154140030.db2.gz UMZSMLUDLMWZKK-UHFFFAOYSA-N 2 0 328.456 3.403 20 0 EGADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311151750 154146224 /nfs/dbraw/zinc/14/62/24/154146224.db2.gz NIWGQPPFKXFFDF-UYAOXDASSA-N 2 0 338.499 3.299 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000323581392 154170678 /nfs/dbraw/zinc/17/06/78/154170678.db2.gz VORFWQMLUCIKQK-OCCSQVGLSA-N 2 0 328.403 3.117 20 0 EGADRP CCn1c2ccccc2c2cc(C[NH2+]CCOCC[NH+](C)C)ccc21 ZINC000327930278 154188608 /nfs/dbraw/zinc/18/86/08/154188608.db2.gz NIAWPSBTKOHFOM-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337390202 154328558 /nfs/dbraw/zinc/32/85/58/154328558.db2.gz NCNSPBCWIOUUNH-DLBZAZTESA-N 2 0 334.504 3.265 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000340115207 155103392 /nfs/dbraw/zinc/10/33/92/155103392.db2.gz KVPSYLJWPMXVPC-VQTJNVASSA-N 2 0 345.531 3.300 20 0 EGADRP CO[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)[C@H](C[NH3+])C1 ZINC000346830139 156155513 /nfs/dbraw/zinc/15/55/13/156155513.db2.gz JXBLVTTUAYCKRW-JKSUJKDBSA-N 2 0 334.460 3.492 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352624998 156387300 /nfs/dbraw/zinc/38/73/00/156387300.db2.gz ACLMCWCFWJJBGJ-FTEYMNFISA-N 2 0 338.536 3.013 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)[NH+](CC)CC ZINC000362137149 157038693 /nfs/dbraw/zinc/03/86/93/157038693.db2.gz ZSVIHRQZJPBBLB-UHOSZYNNSA-N 2 0 333.520 3.223 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000365406673 157115055 /nfs/dbraw/zinc/11/50/55/157115055.db2.gz XEBQFJXNKZHKIU-CQSZACIVSA-N 2 0 341.858 3.224 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000368714060 157270129 /nfs/dbraw/zinc/27/01/29/157270129.db2.gz HCKKFBYKPQMNJB-IBGZPJMESA-N 2 0 334.479 3.070 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000368820779 157297789 /nfs/dbraw/zinc/29/77/89/157297789.db2.gz GQBXZKOAOPXEQD-HXUWFJFHSA-N 2 0 345.506 3.163 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000093546637 162014636 /nfs/dbraw/zinc/01/46/36/162014636.db2.gz WWKPASKEYGTLGO-OAQYLSRUSA-N 2 0 346.515 3.408 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000105480482 162056568 /nfs/dbraw/zinc/05/65/68/162056568.db2.gz SQCDDKSAGLLCOT-JXFKEZNVSA-N 2 0 325.456 3.090 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)[N@H+](C)Cc1ccccc1 ZINC000110355178 162124321 /nfs/dbraw/zinc/12/43/21/162124321.db2.gz XDKALPDVTJLBTL-KRWDZBQOSA-N 2 0 348.450 3.123 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127681479 162331044 /nfs/dbraw/zinc/33/10/44/162331044.db2.gz LPGLKEFYZBRZIE-ZIAGYGMSSA-N 2 0 338.565 3.036 20 0 EGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151823339 162603888 /nfs/dbraw/zinc/60/38/88/162603888.db2.gz LUMYJBMMPGBDEP-CQSZACIVSA-N 2 0 340.895 3.094 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000151833322 162605440 /nfs/dbraw/zinc/60/54/40/162605440.db2.gz QUVRNTCKVABXOL-MRXNPFEDSA-N 2 0 340.920 3.171 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H]2CCO[C@@H]21 ZINC000248413479 163003067 /nfs/dbraw/zinc/00/30/67/163003067.db2.gz LGWGMPBKMLWYLR-ZWMUSQMVSA-N 2 0 340.511 3.300 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@@H]4OCCC[C@@H]24)C3)cc1 ZINC000248763256 163033424 /nfs/dbraw/zinc/03/34/24/163033424.db2.gz DYDOFXQXTQPGHK-FITZOCOBSA-N 2 0 326.484 3.339 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248969257 163048255 /nfs/dbraw/zinc/04/82/55/163048255.db2.gz CGUJRMAGUZCWFB-WRTQPQOASA-N 2 0 328.500 3.038 20 0 EGADRP C[C@@H]1CC(CC[NH2+]C2CCN(Cc3ccncc3)CC2)C[C@@H](C)O1 ZINC000338793766 163350700 /nfs/dbraw/zinc/35/07/00/163350700.db2.gz NXCJZNHLGCQMBZ-IAGOWNOFSA-N 2 0 331.504 3.229 20 0 EGADRP C[C@H](CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)OCc1ccccc1 ZINC000354727743 166019065 /nfs/dbraw/zinc/01/90/65/166019065.db2.gz HFORTDAZCYJCME-GFOJFJKKSA-N 2 0 346.515 3.165 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccco1 ZINC000354784658 166030153 /nfs/dbraw/zinc/03/01/53/166030153.db2.gz NJGYUQRJRKCOCD-MJGOQNOKSA-N 2 0 349.519 3.289 20 0 EGADRP C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343921888 164066901 /nfs/dbraw/zinc/06/69/01/164066901.db2.gz FJKBKQQRYXJASQ-INIZCTEOSA-N 2 0 345.462 3.272 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000343937064 164069397 /nfs/dbraw/zinc/06/93/97/164069397.db2.gz PNZBAKJOVZOZRW-FQEVSTJZSA-N 2 0 325.456 3.263 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000343940463 164070229 /nfs/dbraw/zinc/07/02/29/164070229.db2.gz SMBQDGUFNLSWBO-IBGZPJMESA-N 2 0 343.446 3.328 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(F)c1 ZINC000344002047 164080337 /nfs/dbraw/zinc/08/03/37/164080337.db2.gz CFIDWSADKBRHRP-HNNXBMFYSA-N 2 0 331.435 3.402 20 0 EGADRP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1C ZINC000344012451 164082314 /nfs/dbraw/zinc/08/23/14/164082314.db2.gz CCAGJCRGVMUYFM-UHFFFAOYSA-N 2 0 347.547 3.130 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCC2 ZINC000344075282 164097053 /nfs/dbraw/zinc/09/70/53/164097053.db2.gz MZPJVGJYUFHLDJ-PMACEKPBSA-N 2 0 346.515 3.454 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000344234308 164132879 /nfs/dbraw/zinc/13/28/79/164132879.db2.gz OUURRPDKMQARFW-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345166069 164201406 /nfs/dbraw/zinc/20/14/06/164201406.db2.gz BDOSGFPVJHLHPO-UHFFFAOYSA-N 2 0 330.863 3.186 20 0 EGADRP c1ccc(C[N@@H+]2CCC[C@@H](NC3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000346174604 164357501 /nfs/dbraw/zinc/35/75/01/164357501.db2.gz LAYFGTZMVNPJPK-HXUWFJFHSA-N 2 0 327.516 3.258 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000346352430 164373041 /nfs/dbraw/zinc/37/30/41/164373041.db2.gz OJVLXLUSLKFSJP-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348236239 164672442 /nfs/dbraw/zinc/67/24/42/164672442.db2.gz BMMJVDQGBYTFME-ZIBCJSCZSA-N 2 0 328.500 3.148 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CCC2)o1 ZINC000349453538 164883067 /nfs/dbraw/zinc/88/30/67/164883067.db2.gz OVSIKMWJARNFGD-FQEVSTJZSA-N 2 0 333.520 3.292 20 0 EGADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000355051670 166093636 /nfs/dbraw/zinc/09/36/36/166093636.db2.gz IJJSTCLSXCPWCX-UXHICEINSA-N 2 0 339.483 3.146 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000353059499 165603882 /nfs/dbraw/zinc/60/38/82/165603882.db2.gz WNVXPLKHHFBRHZ-SGLNWRHMSA-N 2 0 328.500 3.364 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1)C1CC1 ZINC000359290195 167117211 /nfs/dbraw/zinc/11/72/11/167117211.db2.gz RAOGKGXDCJUJNN-MRXNPFEDSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366951543 168160600 /nfs/dbraw/zinc/16/06/00/168160600.db2.gz JNZPJKHKHDZGCK-QUCCMNQESA-N 2 0 326.488 3.164 20 0 EGADRP COCCCn1nccc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000367120786 168181131 /nfs/dbraw/zinc/18/11/31/168181131.db2.gz ILWFYPJGOZZXFI-RBUKOAKNSA-N 2 0 348.535 3.006 20 0 EGADRP Clc1c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1Cc1ccccc1 ZINC000367401506 168220562 /nfs/dbraw/zinc/22/05/62/168220562.db2.gz ZPBVFLQQQQLOAU-ROUUACIJSA-N 2 0 344.890 3.301 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000122959547 222190615 /nfs/dbraw/zinc/19/06/15/222190615.db2.gz CXFJMZUFQIKXKB-INIZCTEOSA-N 2 0 334.504 3.489 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000180070248 265394187 /nfs/dbraw/zinc/39/41/87/265394187.db2.gz FDHBZFQZANASLI-DZFGPLHGSA-N 2 0 329.532 3.090 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000236727276 266212087 /nfs/dbraw/zinc/21/20/87/266212087.db2.gz AYXCOKVJAUXHLX-IBGZPJMESA-N 2 0 331.504 3.067 20 0 EGADRP CCCC1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000236799728 266215721 /nfs/dbraw/zinc/21/57/21/266215721.db2.gz BRPDIQUSPAIHSO-UHFFFAOYSA-N 2 0 345.531 3.427 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000237573966 266238091 /nfs/dbraw/zinc/23/80/91/266238091.db2.gz HBTLLRZHITYAGM-LJQANCHMSA-N 2 0 337.511 3.327 20 0 EGADRP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000271205755 266621367 /nfs/dbraw/zinc/62/13/67/266621367.db2.gz KGMLTNSTHDRTID-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000273578155 267062524 /nfs/dbraw/zinc/06/25/24/267062524.db2.gz MFJGIBQJOGMSJU-DNVCBOLYSA-N 2 0 335.923 3.191 20 0 EGADRP COC(=O)c1ccc(-c2ccc(C[NH2+]CC3=CC[N@H+](C)CC3)o2)cc1 ZINC000274876528 267299735 /nfs/dbraw/zinc/29/97/35/267299735.db2.gz XTARFYGAYMCOSZ-UHFFFAOYSA-N 2 0 340.423 3.085 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274928852 267307711 /nfs/dbraw/zinc/30/77/11/267307711.db2.gz QNJYOSUNYDPKPG-ILZDJORESA-N 2 0 344.524 3.456 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccsc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274951818 267310136 /nfs/dbraw/zinc/31/01/36/267310136.db2.gz VEIJLHYNPMQLLM-WDYCEAGBSA-N 2 0 330.497 3.282 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CCS2 ZINC000275357227 267349913 /nfs/dbraw/zinc/34/99/13/267349913.db2.gz RYRHCQXNGGTNMP-IEBWSBKVSA-N 2 0 347.572 3.456 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000278518265 268030243 /nfs/dbraw/zinc/03/02/43/268030243.db2.gz SDXGSFBQNXDQEO-QGZVFWFLSA-N 3 0 345.531 3.152 20 0 EGADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000278527548 268032038 /nfs/dbraw/zinc/03/20/38/268032038.db2.gz SZKGCAVTDPLNTN-RDJZCZTQSA-N 2 0 345.487 3.019 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000263280377 275233354 /nfs/dbraw/zinc/23/33/54/275233354.db2.gz UEFHIDIRNHUHGA-CTNGQTDRSA-N 2 0 343.515 3.196 20 0 EGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278607728 275258828 /nfs/dbraw/zinc/25/88/28/275258828.db2.gz ZXDHFOBRXUKLOB-IBGZPJMESA-N 2 0 334.479 3.237 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279699410 275350887 /nfs/dbraw/zinc/35/08/87/275350887.db2.gz RRZQEKGOEAFXIZ-UHFFFAOYSA-N 2 0 330.451 3.175 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756008 275356594 /nfs/dbraw/zinc/35/65/94/275356594.db2.gz QWQRBXGWLRUVCB-NQIIRXRSSA-N 2 0 326.484 3.017 20 0 EGADRP CC(C)C[NH+]1CCC(NCc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000279772405 275358256 /nfs/dbraw/zinc/35/82/56/275358256.db2.gz BLFTZCBABQJGPG-UHFFFAOYSA-N 2 0 347.894 3.131 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000279928163 275377114 /nfs/dbraw/zinc/37/71/14/275377114.db2.gz MYUSDNABFWJMHQ-BZUAXINKSA-N 2 0 332.488 3.270 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282557263 275647141 /nfs/dbraw/zinc/64/71/41/275647141.db2.gz DDMPFKWJNMWVTC-DLBZAZTESA-N 2 0 337.939 3.134 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)CC1 ZINC000358300032 275736362 /nfs/dbraw/zinc/73/63/62/275736362.db2.gz NGXXIMZJXHWKHV-SFHVURJKSA-N 2 0 336.520 3.101 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCc4c3cnn4C)CC2)CC1 ZINC000090775241 275935973 /nfs/dbraw/zinc/93/59/73/275935973.db2.gz MGPWRCQXUXJDHR-FAFZWHIHSA-N 2 0 330.520 3.430 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000121198416 276195806 /nfs/dbraw/zinc/19/58/06/276195806.db2.gz FNHLNTQYQPWSTF-FUHWJXTLSA-N 2 0 333.520 3.156 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000247016128 276203167 /nfs/dbraw/zinc/20/31/67/276203167.db2.gz MPICUUQHTRFYCR-ULQDDVLXSA-N 2 0 349.494 3.043 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289221385 276306458 /nfs/dbraw/zinc/30/64/58/276306458.db2.gz JITZOLQGYJSMHT-AWEZNQCLSA-N 2 0 333.501 3.328 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Br)nc1 ZINC000290556332 276511305 /nfs/dbraw/zinc/51/13/05/276511305.db2.gz DHNCOKXNFDZSJM-LBPRGKRZSA-N 2 0 338.293 3.369 20 0 EGADRP CCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000291233867 276611781 /nfs/dbraw/zinc/61/17/81/276611781.db2.gz UIBVARNGVAAAHU-UHFFFAOYSA-N 2 0 330.516 3.490 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000292102806 276733568 /nfs/dbraw/zinc/73/35/68/276733568.db2.gz OQHDASYQKDEDEH-FQEVSTJZSA-N 2 0 343.515 3.211 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000181010571 276789359 /nfs/dbraw/zinc/78/93/59/276789359.db2.gz GCMFBBHSPLPJGQ-VQTJNVASSA-N 2 0 329.532 3.184 20 0 EGADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000261798411 276792594 /nfs/dbraw/zinc/79/25/94/276792594.db2.gz ZRTBANGWMFZKJH-SLFFLAALSA-N 2 0 331.504 3.350 20 0 EGADRP COCC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000366500638 277199163 /nfs/dbraw/zinc/19/91/63/277199163.db2.gz MWEZTBAHRDDKFK-IEBWSBKVSA-N 2 0 338.536 3.062 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccccc1-n1ccnn1 ZINC000353437927 278357130 /nfs/dbraw/zinc/35/71/30/278357130.db2.gz SLEZGLOBGIXPMT-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000362872357 279136969 /nfs/dbraw/zinc/13/69/69/279136969.db2.gz BCCFNRSXBOKVTQ-IBGZPJMESA-N 2 0 343.515 3.275 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000269226706 279235877 /nfs/dbraw/zinc/23/58/77/279235877.db2.gz UYLACEFOOVZOMK-APWZRJJASA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338047345 289272345 /nfs/dbraw/zinc/27/23/45/289272345.db2.gz HEIXFVZMZIZRSC-JWXAEQQXSA-N 2 0 335.536 3.112 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089694490 307451280 /nfs/dbraw/zinc/45/12/80/307451280.db2.gz IYMWZFQYQFDFDJ-KRWDZBQOSA-N 2 0 342.314 3.208 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000414116301 309061925 /nfs/dbraw/zinc/06/19/25/309061925.db2.gz QOFYFYRUADNMPG-INIZCTEOSA-N 2 0 331.504 3.408 20 0 EGADRP CC[C@@]1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCC[NH2+]1 ZINC000134584021 307690314 /nfs/dbraw/zinc/69/03/14/307690314.db2.gz PZNPMVHZUCNKRY-NRFANRHFSA-N 2 0 343.515 3.211 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)nc1C ZINC000414169438 309064494 /nfs/dbraw/zinc/06/44/94/309064494.db2.gz RTNAHMCIFMGUHG-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP Cn1ccnc1[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175649 309064740 /nfs/dbraw/zinc/06/47/40/309064740.db2.gz HOEIKJUQSUYYKB-CRAIPNDOSA-N 2 0 346.906 3.484 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414175928 309064972 /nfs/dbraw/zinc/06/49/72/309064972.db2.gz ISZXCTKGJIRMKA-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OC ZINC000414175911 309065001 /nfs/dbraw/zinc/06/50/01/309065001.db2.gz ISTMYPXJOHIOSC-GJZGRUSLSA-N 2 0 336.476 3.095 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000155718591 307819332 /nfs/dbraw/zinc/81/93/32/307819332.db2.gz JFMAWRULZYGGTP-ROUUACIJSA-N 2 0 329.532 3.242 20 0 EGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC000159342270 307872032 /nfs/dbraw/zinc/87/20/32/307872032.db2.gz LCWIDPFDCLRHHO-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000165972284 307930423 /nfs/dbraw/zinc/93/04/23/307930423.db2.gz GOCLGGUKRZLOLS-HIFRSBDPSA-N 2 0 328.884 3.356 20 0 EGADRP COc1ccsc1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248624072 308007698 /nfs/dbraw/zinc/00/76/98/308007698.db2.gz CEXSBOARWPPKQO-QLFBSQMISA-N 2 0 326.506 3.297 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)[C@@H](C)C1 ZINC000248766149 308011232 /nfs/dbraw/zinc/01/12/32/308011232.db2.gz GXFLKJPKLKMPNH-OKYOBFRVSA-N 2 0 340.552 3.305 20 0 EGADRP FC(F)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248889646 308014346 /nfs/dbraw/zinc/01/43/46/308014346.db2.gz AQCAAVUVAKLEGV-FGTMMUONSA-N 2 0 338.442 3.158 20 0 EGADRP Cc1ccc2c(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1 ZINC000292866543 308074064 /nfs/dbraw/zinc/07/40/64/308074064.db2.gz CVSTVENFGXCCJR-HXUWFJFHSA-N 2 0 326.440 3.019 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887628 308076733 /nfs/dbraw/zinc/07/67/33/308076733.db2.gz YNOHLCJHTQJDQS-GOSISDBHSA-N 2 0 330.863 3.053 20 0 EGADRP CSc1ccc([C@H](C[NH2+]Cc2cnccc2N(C)C)N(C)C)cc1 ZINC000293244853 308112983 /nfs/dbraw/zinc/11/29/83/308112983.db2.gz BFDGXRSQBHNQLQ-IBGZPJMESA-N 2 0 344.528 3.262 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(O)c2Cl)C[C@H](C)O1 ZINC000293676341 308151840 /nfs/dbraw/zinc/15/18/40/308151840.db2.gz VDPOLEAEMJLQBC-OKILXGFUSA-N 2 0 326.868 3.025 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000295200983 308302259 /nfs/dbraw/zinc/30/22/59/308302259.db2.gz PBINUYAAMGJKIS-GGPKGHCWSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000414632832 309092868 /nfs/dbraw/zinc/09/28/68/309092868.db2.gz YEXRAQDBGUUEKK-IJLUTSLNSA-N 2 0 348.413 3.492 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414716131 309097025 /nfs/dbraw/zinc/09/70/25/309097025.db2.gz ZJPDNCZMVIZGIS-TZMCWYRMSA-N 2 0 331.287 3.176 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)c1ccsc1 ZINC000296543481 308439043 /nfs/dbraw/zinc/43/90/43/308439043.db2.gz UABABDLAGSEQGL-ZWKOTPCHSA-N 2 0 345.512 3.256 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OCc1ccccc1 ZINC000414658866 309094214 /nfs/dbraw/zinc/09/42/14/309094214.db2.gz KGJMXFZOCJQQBU-QFBILLFUSA-N 2 0 340.467 3.443 20 0 EGADRP C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)CC(C)(C)C[NH3+] ZINC000414662061 309094274 /nfs/dbraw/zinc/09/42/74/309094274.db2.gz PTAUXFRKGJQYDV-UHFFFAOYSA-N 2 0 341.503 3.477 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000414719011 309097376 /nfs/dbraw/zinc/09/73/76/309097376.db2.gz XFGNDRDFNZCPEF-MRXNPFEDSA-N 2 0 330.476 3.016 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414723501 309097551 /nfs/dbraw/zinc/09/75/51/309097551.db2.gz POZILJIGTZSCNM-RYRKJORJSA-N 3 0 333.545 3.080 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762240 309099317 /nfs/dbraw/zinc/09/93/17/309099317.db2.gz ACQRPJXDFIPVPN-KDURUIRLSA-N 2 0 337.467 3.189 20 0 EGADRP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778447 309100441 /nfs/dbraw/zinc/10/04/41/309100441.db2.gz IWDLRABZIVSECH-HUUCEWRRSA-N 2 0 328.485 3.027 20 0 EGADRP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778929 309100544 /nfs/dbraw/zinc/10/05/44/309100544.db2.gz JPNMKCJSXSDYBX-LSDHHAIUSA-N 2 0 328.378 3.407 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783238 309100758 /nfs/dbraw/zinc/10/07/58/309100758.db2.gz PRSZYGLLJDJRTI-IAGOWNOFSA-N 2 0 331.479 3.247 20 0 EGADRP Brc1ccsc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784447 309100999 /nfs/dbraw/zinc/10/09/99/309100999.db2.gz RHIAFEPCXREWQN-NEPJUHHUSA-N 2 0 329.307 3.332 20 0 EGADRP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789180 309101496 /nfs/dbraw/zinc/10/14/96/309101496.db2.gz XVCKBNVHRQVUTL-CABCVRRESA-N 2 0 342.405 3.449 20 0 EGADRP COc1ccc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414794945 309101851 /nfs/dbraw/zinc/10/18/51/309101851.db2.gz GIEHYPGPVRXWTC-IAQYHMDHSA-N 2 0 327.266 3.065 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CNCc3ccc([C@H](C)[NH3+])cc3)sc2C1 ZINC000414814008 309103282 /nfs/dbraw/zinc/10/32/82/309103282.db2.gz VADBVKWOLOSFSU-AWEZNQCLSA-N 2 0 344.528 3.219 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301514748 308703386 /nfs/dbraw/zinc/70/33/86/308703386.db2.gz LKULGAABUDBHDQ-IRXDYDNUSA-N 2 0 339.524 3.286 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000301750632 308713738 /nfs/dbraw/zinc/71/37/38/308713738.db2.gz JZLXWMFPPYJKHC-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333103641 308850103 /nfs/dbraw/zinc/85/01/03/308850103.db2.gz FDZAGKCZCOTRRS-UYAOXDASSA-N 2 0 328.456 3.460 20 0 EGADRP Cc1cc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333628652 308864283 /nfs/dbraw/zinc/86/42/83/308864283.db2.gz GFNVJQJVMSMHJE-XLIONFOSSA-N 2 0 325.456 3.266 20 0 EGADRP [NH3+]C1(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C2CC3CC(C2)CC1C3 ZINC000333765235 308867894 /nfs/dbraw/zinc/86/78/94/308867894.db2.gz BDWGGQJIGUAJDV-LWQPMLAESA-N 2 0 339.527 3.223 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000397568033 308904712 /nfs/dbraw/zinc/90/47/12/308904712.db2.gz WWQMNGRSOVGDBN-FDFHNCONSA-N 3 0 341.543 3.409 20 0 EGADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414883870 309107198 /nfs/dbraw/zinc/10/71/98/309107198.db2.gz DTTQNRHDZFRVMR-CVEARBPZSA-N 2 0 325.294 3.487 20 0 EGADRP Cc1cccn2cc(COc3ccc(C[NH2+]CCCC[NH3+])cc3)nc12 ZINC000414899839 309108200 /nfs/dbraw/zinc/10/82/00/309108200.db2.gz GKVMQZPHTNEGDM-UHFFFAOYSA-N 2 0 338.455 3.050 20 0 EGADRP CCOc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)cc(Cl)c1OC ZINC000414898901 309108241 /nfs/dbraw/zinc/10/82/41/309108241.db2.gz FHRJNOLRJXUYFD-UHFFFAOYSA-N 2 0 326.868 3.227 20 0 EGADRP CCOc1cccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1OC(F)F ZINC000414904202 309108398 /nfs/dbraw/zinc/10/83/98/309108398.db2.gz NCEZZDKCZZWZLW-UHFFFAOYSA-N 2 0 328.403 3.166 20 0 EGADRP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414916267 309109027 /nfs/dbraw/zinc/10/90/27/309109027.db2.gz PLLDZIJFSWBLQO-OAHLLOKOSA-N 2 0 330.422 3.318 20 0 EGADRP COc1cccc(C[C@H](C)[NH2+][C@@H](CN)c2ccc3ccccc3c2)n1 ZINC000414934619 309110025 /nfs/dbraw/zinc/11/00/25/309110025.db2.gz FIASVAHCSLPNSP-YWZLYKJASA-N 2 0 335.451 3.464 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)cc2)cs1 ZINC000414936082 309110190 /nfs/dbraw/zinc/11/01/90/309110190.db2.gz GOIWEOIILBEXMY-SCLBCKFNSA-N 2 0 331.485 3.118 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[NH2+]1 ZINC000414942495 309110396 /nfs/dbraw/zinc/11/03/96/309110396.db2.gz DOSJCJPOTZVPPM-JSGCOSHPSA-N 2 0 338.377 3.121 20 0 EGADRP CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414973360 309112340 /nfs/dbraw/zinc/11/23/40/309112340.db2.gz ZJHGCRIRNRQDOC-SFHVURJKSA-N 2 0 346.519 3.210 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414983277 309112756 /nfs/dbraw/zinc/11/27/56/309112756.db2.gz ZGWJIHHGHNWIQT-IBGZPJMESA-N 2 0 325.456 3.138 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414983280 309112818 /nfs/dbraw/zinc/11/28/18/309112818.db2.gz ZGWJIHHGHNWIQT-LJQANCHMSA-N 2 0 325.456 3.138 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414988347 309112939 /nfs/dbraw/zinc/11/29/39/309112939.db2.gz FSEOGEINGHZIQN-FZMZJTMJSA-N 2 0 327.266 3.065 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OC ZINC000414990603 309113010 /nfs/dbraw/zinc/11/30/10/309113010.db2.gz ISJVCGGUCNPUPQ-JSGCOSHPSA-N 2 0 326.868 3.354 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000414996606 309113284 /nfs/dbraw/zinc/11/32/84/309113284.db2.gz GNIMSBDRUZTZQT-OBJCFNGXSA-N 2 0 345.506 3.029 20 0 EGADRP Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000415000946 309113627 /nfs/dbraw/zinc/11/36/27/309113627.db2.gz UJPRDAMJGIMZEP-HIFRSBDPSA-N 2 0 332.879 3.348 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415029101 309115265 /nfs/dbraw/zinc/11/52/65/309115265.db2.gz DGSUMJPMDWFPKA-ZWNOBZJWSA-N 2 0 329.307 3.388 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415029129 309115318 /nfs/dbraw/zinc/11/53/18/309115318.db2.gz DIINNWITOUOVAB-JSGCOSHPSA-N 2 0 346.393 3.243 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415036039 309115761 /nfs/dbraw/zinc/11/57/61/309115761.db2.gz LCWMTIJBJLIOPP-HKUYNNGSSA-N 2 0 340.515 3.446 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000415042531 309116027 /nfs/dbraw/zinc/11/60/27/309116027.db2.gz QZNXHZBMZQHTQO-ONGXEEELSA-N 2 0 349.219 3.268 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415077837 309118733 /nfs/dbraw/zinc/11/87/33/309118733.db2.gz FPBFSZDHWRUDRM-YLJYHZDGSA-N 2 0 326.488 3.332 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415098835 309120155 /nfs/dbraw/zinc/12/01/55/309120155.db2.gz FWEVXBGDKAFMSX-YLJYHZDGSA-N 2 0 326.488 3.332 20 0 EGADRP CC1(C)Cc2cccc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)c2O1 ZINC000415108233 309120853 /nfs/dbraw/zinc/12/08/53/309120853.db2.gz MAGNFRYKIZPTIC-AZUAARDMSA-N 2 0 344.499 3.118 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000415116862 309121437 /nfs/dbraw/zinc/12/14/37/309121437.db2.gz VHZNANKMNJJUTF-TYNCELHUSA-N 2 0 339.277 3.250 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000415130020 309122558 /nfs/dbraw/zinc/12/25/58/309122558.db2.gz WHLXBLZIEGPFMC-YJBOKZPZSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+]C1(CNCc2ccsc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000415131799 309122747 /nfs/dbraw/zinc/12/27/47/309122747.db2.gz JYHANCRTOUIMAN-UHFFFAOYSA-N 2 0 349.931 3.485 20 0 EGADRP CC(C)c1ccc(CC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415144145 309123561 /nfs/dbraw/zinc/12/35/61/309123561.db2.gz UOLSVSPGAONXMH-UXHICEINSA-N 2 0 328.500 3.053 20 0 EGADRP CCCCn1ccnc1-c1cccc(NC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415293673 309130114 /nfs/dbraw/zinc/13/01/14/309130114.db2.gz MOXCNNRGTNVSRN-QGZVFWFLSA-N 2 0 341.459 3.224 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415918415 309148563 /nfs/dbraw/zinc/14/85/63/309148563.db2.gz LKBPIUJIQGTEDO-UHFFFAOYSA-N 2 0 346.519 3.382 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000415925645 309149191 /nfs/dbraw/zinc/14/91/91/309149191.db2.gz BHOWCTKTKOSXNE-HNAYVOBHSA-N 2 0 340.471 3.219 20 0 EGADRP CC(C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000415966389 309151741 /nfs/dbraw/zinc/15/17/41/309151741.db2.gz ZIZYQEQQKZBLNX-SFHVURJKSA-N 2 0 332.492 3.023 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000415967569 309151759 /nfs/dbraw/zinc/15/17/59/309151759.db2.gz BGKJDUAWXBIGMI-UHFFFAOYSA-N 2 0 344.503 3.136 20 0 EGADRP CC1(C)CC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC(C)(C)[NH2+]1 ZINC000416798178 309181611 /nfs/dbraw/zinc/18/16/11/309181611.db2.gz ZVQJQFKUBNWXGI-KRWDZBQOSA-N 2 0 346.519 3.075 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418047717 309233088 /nfs/dbraw/zinc/23/30/88/309233088.db2.gz QPCPIYUPKPBAHH-PKOBYXMFSA-N 2 0 346.519 3.030 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000420297967 309280093 /nfs/dbraw/zinc/28/00/93/309280093.db2.gz ZHSREBNWKDEGTK-UHFFFAOYSA-N 2 0 330.428 3.041 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420308296 309281094 /nfs/dbraw/zinc/28/10/94/309281094.db2.gz NJSBGQJWUUWSHC-YSVLISHTSA-N 2 0 342.439 3.169 20 0 EGADRP COc1ccc(Br)cc1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420327310 309282239 /nfs/dbraw/zinc/28/22/39/309282239.db2.gz YFZROMBTDOJDJY-ZDUSSCGKSA-N 2 0 341.293 3.279 20 0 EGADRP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331551 309282552 /nfs/dbraw/zinc/28/25/52/309282552.db2.gz CCXAPECNFDPEAZ-OALUTQOASA-N 2 0 343.515 3.071 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000420330077 309282602 /nfs/dbraw/zinc/28/26/02/309282602.db2.gz LHDRNZYCHOKJNO-RTWAWAEBSA-N 2 0 340.467 3.047 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329412 309282604 /nfs/dbraw/zinc/28/26/04/309282604.db2.gz GRTHEAFBJLAJLE-OKILXGFUSA-N 2 0 344.480 3.119 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336069 309282995 /nfs/dbraw/zinc/28/29/95/309282995.db2.gz IKGKSNXHUWDVJO-HRCADAONSA-N 2 0 349.906 3.297 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC([NH3+])C1 ZINC000420336947 309283032 /nfs/dbraw/zinc/28/30/32/309283032.db2.gz QTESIEWBFASBIN-UHFFFAOYSA-N 2 0 339.439 3.229 20 0 EGADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420338234 309283137 /nfs/dbraw/zinc/28/31/37/309283137.db2.gz KMBFWUBZEVYOLT-ABSDTBQOSA-N 2 0 343.515 3.025 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339518 309283177 /nfs/dbraw/zinc/28/31/77/309283177.db2.gz LXJQPPSVFATALD-JKSUJKDBSA-N 2 0 347.528 3.059 20 0 EGADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341408 309283196 /nfs/dbraw/zinc/28/31/96/309283196.db2.gz OEBKLPIFZYVKNJ-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344110 309283347 /nfs/dbraw/zinc/28/33/47/309283347.db2.gz SCUKUYJCTWAGKR-HRCADAONSA-N 2 0 347.528 3.057 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344043 309283354 /nfs/dbraw/zinc/28/33/54/309283354.db2.gz RUODCXOQDGQSIN-OTWHNJEPSA-N 2 0 343.515 3.260 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420346403 309283552 /nfs/dbraw/zinc/28/35/52/309283552.db2.gz WVWPPXSMBGSHQR-HRCADAONSA-N 2 0 326.444 3.037 20 0 EGADRP Cc1sc2[nH]c([C@@H](C)[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nc(=O)c2c1C ZINC000420346650 309283576 /nfs/dbraw/zinc/28/35/76/309283576.db2.gz XALNDWIAYWNYFU-BNOWGMLFSA-N 2 0 346.500 3.006 20 0 EGADRP FC(F)(F)c1csc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420359846 309284197 /nfs/dbraw/zinc/28/41/97/309284197.db2.gz KYDCVLSUOXAVDH-NEPJUHHUSA-N 2 0 333.423 3.341 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420370880 309284890 /nfs/dbraw/zinc/28/48/90/309284890.db2.gz CZGITFHBGQHMTO-DNVCBOLYSA-N 2 0 341.503 3.432 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420397974 309286306 /nfs/dbraw/zinc/28/63/06/309286306.db2.gz XYYUFEIAMHLREN-TZIWHRDSSA-N 2 0 346.515 3.291 20 0 EGADRP C[NH2+]CCC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420406050 309286632 /nfs/dbraw/zinc/28/66/32/309286632.db2.gz NJFYNUFPQZAWOM-IAGOWNOFSA-N 2 0 327.875 3.202 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(C4CC4)c3)CC2)CC1 ZINC000421350299 309319618 /nfs/dbraw/zinc/31/96/18/309319618.db2.gz AIOJJHSJEGPTSO-UHFFFAOYSA-N 2 0 327.516 3.023 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421829212 309341903 /nfs/dbraw/zinc/34/19/03/309341903.db2.gz HBFTXORCENGUTQ-CJNGLKHVSA-N 2 0 330.875 3.357 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000421829025 309341908 /nfs/dbraw/zinc/34/19/08/309341908.db2.gz GMNCZZBKQNTBKX-AWEZNQCLSA-N 2 0 341.902 3.026 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1Cl ZINC000421832634 309342396 /nfs/dbraw/zinc/34/23/96/309342396.db2.gz GPFRVMKXJOTLEM-KFWWJZLASA-N 2 0 325.884 3.275 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(SC)cc1OC ZINC000422559998 309361605 /nfs/dbraw/zinc/36/16/05/309361605.db2.gz FPZNAHLMMNKINE-GUTXKFCHSA-N 2 0 338.517 3.231 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000422692006 309363307 /nfs/dbraw/zinc/36/33/07/309363307.db2.gz JRJYNDKMVREAHW-XHSDSOJGSA-N 2 0 343.471 3.446 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1OC(F)F ZINC000422697189 309363651 /nfs/dbraw/zinc/36/36/51/309363651.db2.gz UENTYBPEKZQBMK-OCCSQVGLSA-N 2 0 328.403 3.164 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000422710103 309364165 /nfs/dbraw/zinc/36/41/65/309364165.db2.gz KXJINURZFSVAAA-IRXDYDNUSA-N 2 0 346.515 3.264 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000422713406 309364437 /nfs/dbraw/zinc/36/44/37/309364437.db2.gz PNQYPIMGVHWQKQ-JCGIZDLHSA-N 2 0 336.907 3.364 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422715253 309364474 /nfs/dbraw/zinc/36/44/74/309364474.db2.gz SDGMARRYTAVHDO-IEBWSBKVSA-N 2 0 329.488 3.422 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422713641 309364481 /nfs/dbraw/zinc/36/44/81/309364481.db2.gz KDTBDZJRNWBPBK-WMLDXEAASA-N 2 0 327.428 3.010 20 0 EGADRP CCc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422727923 309365227 /nfs/dbraw/zinc/36/52/27/309365227.db2.gz DTUXKKXYQNJZKB-WTOYTKOKSA-N 2 0 339.527 3.400 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422733675 309365645 /nfs/dbraw/zinc/36/56/45/309365645.db2.gz REXRMHMRSQVYMD-GCJKJVERSA-N 2 0 337.511 3.199 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)c2ccccc2)CC1 ZINC000422731374 309365753 /nfs/dbraw/zinc/36/57/53/309365753.db2.gz GXXXUBMDWDLTHX-SESVDKBCSA-N 2 0 329.532 3.437 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422739503 309366034 /nfs/dbraw/zinc/36/60/34/309366034.db2.gz LNJFUQLFFJZLPC-LBPRGKRZSA-N 2 0 332.517 3.496 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)N(C)C ZINC000422740226 309366041 /nfs/dbraw/zinc/36/60/41/309366041.db2.gz BEGSHGZNADHRLU-LMMKCTJWSA-N 2 0 333.520 3.198 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422749478 309366389 /nfs/dbraw/zinc/36/63/89/309366389.db2.gz ZJMYIBYCJBBIFU-BBRMVZONSA-N 2 0 337.305 3.458 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422747694 309366462 /nfs/dbraw/zinc/36/64/62/309366462.db2.gz ZJYSYWPZAOJDPX-UZLBHIALSA-N 2 0 338.499 3.164 20 0 EGADRP c1ccc(NCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756132 309366737 /nfs/dbraw/zinc/36/67/37/309366737.db2.gz LIGZNQZUAXRJRK-CTNGQTDRSA-N 2 0 337.467 3.334 20 0 EGADRP Fc1ccc(SCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422755495 309366779 /nfs/dbraw/zinc/36/67/79/309366779.db2.gz IAJUEEDZXPHDER-KZNAEPCWSA-N 2 0 338.492 3.055 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)N2CCCCC2)cc1 ZINC000422760904 309367066 /nfs/dbraw/zinc/36/70/66/309367066.db2.gz MHBHMYMXCNEZRQ-WMQCIHAUSA-N 2 0 345.531 3.200 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422767576 309367263 /nfs/dbraw/zinc/36/72/63/309367263.db2.gz SWAOPDAJSUKSIE-SCWSEQNSSA-N 2 0 341.474 3.343 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])N2CCCCC2)cc1 ZINC000422770827 309367521 /nfs/dbraw/zinc/36/75/21/309367521.db2.gz WSWPURDIXAJTFK-NRSPTQNISA-N 2 0 345.531 3.329 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)CCCC[NH3+])CC2)cc1 ZINC000422791067 309368514 /nfs/dbraw/zinc/36/85/14/309368514.db2.gz YCZYGIZTAHGTDF-KRWDZBQOSA-N 3 0 333.520 3.014 20 0 EGADRP Fc1cccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422792292 309368542 /nfs/dbraw/zinc/36/85/42/309368542.db2.gz WCUKXVLTMYSJJK-UYAOXDASSA-N 2 0 326.415 3.214 20 0 EGADRP Clc1cnc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422793327 309368729 /nfs/dbraw/zinc/36/87/29/309368729.db2.gz XZBVUPNSAQQGMZ-CFVMTHIKSA-N 2 0 343.302 3.311 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])Oc1ccc(Br)cc1 ZINC000422798233 309369137 /nfs/dbraw/zinc/36/91/37/309369137.db2.gz QFHCEMCJNJBIDJ-QWHCGFSZSA-N 2 0 329.282 3.324 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000422803695 309369231 /nfs/dbraw/zinc/36/92/31/309369231.db2.gz GFZUYNQOBXKKKN-CABCVRRESA-N 2 0 335.455 3.446 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422800665 309369311 /nfs/dbraw/zinc/36/93/11/309369311.db2.gz CPGYJOPXRZRYAL-RXVVDRJESA-N 3 0 329.532 3.396 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422811867 309369802 /nfs/dbraw/zinc/36/98/02/309369802.db2.gz PTAWWMZQAZLCDY-XLIONFOSSA-N 2 0 326.488 3.332 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Oc1ccccc1Br ZINC000422839788 309371236 /nfs/dbraw/zinc/37/12/36/309371236.db2.gz RHNCUCLREDEFAT-YUELXQCFSA-N 2 0 341.293 3.466 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422842768 309371499 /nfs/dbraw/zinc/37/14/99/309371499.db2.gz GJBHEPKYSWUUPO-CZUORRHYSA-N 2 0 327.875 3.333 20 0 EGADRP [NH3+][C@@H]1C[C@@H](NCC2([NH+]3CCSCC3)CCCC2)c2ccccc21 ZINC000422844281 309371615 /nfs/dbraw/zinc/37/16/15/309371615.db2.gz LJYHKXMQJSMEPZ-QZTJIDSGSA-N 2 0 331.529 3.082 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cc2c(OC)c1 ZINC000422859968 309372392 /nfs/dbraw/zinc/37/23/92/309372392.db2.gz HSFLEFBZWFALBB-KDOFPFPSSA-N 2 0 345.487 3.095 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2c(OC)c1 ZINC000422867446 309372719 /nfs/dbraw/zinc/37/27/19/309372719.db2.gz SGJZGJQVEUAZEG-QZTJIDSGSA-N 2 0 345.487 3.367 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000422879875 309373729 /nfs/dbraw/zinc/37/37/29/309373729.db2.gz MYZDGUZDMUNQEQ-MRXNPFEDSA-N 2 0 332.488 3.221 20 0 EGADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422887772 309374252 /nfs/dbraw/zinc/37/42/52/309374252.db2.gz ZJSUUSCBISRKLD-HLIUYOAVSA-N 2 0 330.476 3.139 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422900660 309374936 /nfs/dbraw/zinc/37/49/36/309374936.db2.gz QVINUHKBBMZCDX-NJDAHSKKSA-N 3 0 345.531 3.027 20 0 EGADRP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422917032 309376083 /nfs/dbraw/zinc/37/60/83/309376083.db2.gz FHTOMIIYDGBDQG-MBOZVWFJSA-N 2 0 331.504 3.240 20 0 EGADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)cc1 ZINC000422925911 309376446 /nfs/dbraw/zinc/37/64/46/309376446.db2.gz VVQUBQPJWQYBKW-IPHXSNPTSA-N 2 0 340.467 3.204 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422964902 309378697 /nfs/dbraw/zinc/37/86/97/309378697.db2.gz NAKXPFZPJQQQSZ-LSDHHAIUSA-N 2 0 326.282 3.111 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422996521 309379981 /nfs/dbraw/zinc/37/99/81/309379981.db2.gz MJZPKDCKLMCVRO-NRSPTQNISA-N 2 0 329.532 3.437 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc2c(c1)COC2 ZINC000422994549 309380016 /nfs/dbraw/zinc/38/00/16/309380016.db2.gz VPZFGWCUHGBTFD-FPOVZHCZSA-N 2 0 336.435 3.062 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000423007837 309380588 /nfs/dbraw/zinc/38/05/88/309380588.db2.gz YQJJFMMATBMVGG-KJJOEJEFSA-N 3 0 329.532 3.394 20 0 EGADRP COc1cc(F)cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423019825 309381337 /nfs/dbraw/zinc/38/13/37/309381337.db2.gz XIJXAPVVUMOUMI-UYAOXDASSA-N 2 0 342.414 3.180 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423026256 309381573 /nfs/dbraw/zinc/38/15/73/309381573.db2.gz PXDLEGKNCNKEHG-BRSBDYLESA-N 2 0 332.488 3.220 20 0 EGADRP CCC(CC)(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(OC)c(OC)c1 ZINC000423046221 309382774 /nfs/dbraw/zinc/38/27/74/309382774.db2.gz FDZDSERQQBPIRJ-DOTOQJQBSA-N 2 0 334.504 3.492 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423049670 309383023 /nfs/dbraw/zinc/38/30/23/309383023.db2.gz KELYIDBKAHRKOV-YFVAEKQCSA-N 2 0 343.515 3.096 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000423055281 309383417 /nfs/dbraw/zinc/38/34/17/309383417.db2.gz WCMZGWLQAVAYQL-ROPHOZQPSA-N 2 0 344.499 3.424 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)N(C)C ZINC000423060881 309383694 /nfs/dbraw/zinc/38/36/94/309383694.db2.gz PPJRFWONZOGUAI-KUDFPVQQSA-N 2 0 340.515 3.499 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423062366 309383709 /nfs/dbraw/zinc/38/37/09/309383709.db2.gz MUSXXGLPIXOMLO-JCKWVBRZSA-N 2 0 338.442 3.119 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423084910 309385150 /nfs/dbraw/zinc/38/51/50/309385150.db2.gz IYEANFBIVUEZFE-RHSMWYFYSA-N 2 0 329.419 3.491 20 0 EGADRP FC(F)(F)COc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423093460 309385629 /nfs/dbraw/zinc/38/56/29/309385629.db2.gz HOCYOCPRHRZZQL-YIONKMFJSA-N 2 0 328.378 3.043 20 0 EGADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423103205 309386122 /nfs/dbraw/zinc/38/61/22/309386122.db2.gz KYZHCBMFJDRLNB-WDEREUQCSA-N 2 0 329.307 3.402 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CCCC2)c(C)c1 ZINC000423128443 309387263 /nfs/dbraw/zinc/38/72/63/309387263.db2.gz CYBRZNZZSJNXKF-CMKODMSKSA-N 2 0 330.516 3.457 20 0 EGADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423131562 309387459 /nfs/dbraw/zinc/38/74/59/309387459.db2.gz OGYNCJCRXKHHPW-DFQSSKMNSA-N 2 0 330.516 3.328 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423136866 309387823 /nfs/dbraw/zinc/38/78/23/309387823.db2.gz PUDYVQNMASROMS-DYVFJYSZSA-N 2 0 337.389 3.191 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423136870 309387866 /nfs/dbraw/zinc/38/78/66/309387866.db2.gz PUDYVQNMASROMS-SUMWQHHRSA-N 2 0 337.389 3.191 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423146498 309388321 /nfs/dbraw/zinc/38/83/21/309388321.db2.gz POQNDMBDSJCNOT-SMDDNHRTSA-N 2 0 331.685 3.362 20 0 EGADRP Cc1cccnc1CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423157527 309388691 /nfs/dbraw/zinc/38/86/91/309388691.db2.gz VMEMCKJNZUHPOC-FPOVZHCZSA-N 2 0 337.467 3.168 20 0 EGADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423181715 309389417 /nfs/dbraw/zinc/38/94/17/309389417.db2.gz PILRNQQPCVGTAU-SFHVURJKSA-N 2 0 333.520 3.057 20 0 EGADRP Fc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423205156 309390246 /nfs/dbraw/zinc/39/02/46/309390246.db2.gz PADDTEIJEPFRIM-LJQANCHMSA-N 2 0 347.865 3.063 20 0 EGADRP C[NH2+]CCC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423200524 309390310 /nfs/dbraw/zinc/39/03/10/309390310.db2.gz MHSTVNXNRUOYEQ-YGRLFVJLSA-N 2 0 329.307 3.431 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423255360 309392521 /nfs/dbraw/zinc/39/25/21/309392521.db2.gz BTLIFNFBXRHDIT-SJORKVTESA-N 2 0 342.487 3.039 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000423258398 309392630 /nfs/dbraw/zinc/39/26/30/309392630.db2.gz MAKSOMVQUFUMLT-CHWSQXEVSA-N 2 0 328.403 3.337 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423283070 309393916 /nfs/dbraw/zinc/39/39/16/309393916.db2.gz XAIBZFJOFHYRGX-CABCVRRESA-N 2 0 334.460 3.121 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000423282059 309393995 /nfs/dbraw/zinc/39/39/95/309393995.db2.gz URWRVFFMXFZPDE-ICSRJNTNSA-N 2 0 339.568 3.025 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000423307482 309394629 /nfs/dbraw/zinc/39/46/29/309394629.db2.gz NGVIZUWOJOCPRU-UZLBHIALSA-N 2 0 337.467 3.273 20 0 EGADRP COCCC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)cc1 ZINC000423322327 309395088 /nfs/dbraw/zinc/39/50/88/309395088.db2.gz IEFVAIIUOKOGSA-HNNXBMFYSA-N 2 0 341.293 3.388 20 0 EGADRP CC1CC[NH+](CCC[C@@H](NCC2C[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423326735 309395300 /nfs/dbraw/zinc/39/53/00/309395300.db2.gz QXTNDDJOJBWALU-HXUWFJFHSA-N 2 0 333.495 3.188 20 0 EGADRP [NH3+][C@H](CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423330161 309395490 /nfs/dbraw/zinc/39/54/90/309395490.db2.gz TYWYXRARCLBHQJ-DOIPELPJSA-N 2 0 327.516 3.004 20 0 EGADRP [NH3+][C@H](CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423330164 309395498 /nfs/dbraw/zinc/39/54/98/309395498.db2.gz TYWYXRARCLBHQJ-XRXFAXGQSA-N 2 0 327.516 3.004 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(Br)c1 ZINC000423344316 309396173 /nfs/dbraw/zinc/39/61/73/309396173.db2.gz XPZCGASJXNZJRN-LBPRGKRZSA-N 2 0 341.293 3.498 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423345533 309396350 /nfs/dbraw/zinc/39/63/50/309396350.db2.gz XPUREZLUWMSOKC-FQEVSTJZSA-N 2 0 345.531 3.441 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H](C)[NH3+] ZINC000423356114 309396750 /nfs/dbraw/zinc/39/67/50/309396750.db2.gz PZEHMNVUJSECEV-VQIMIIECSA-N 2 0 331.504 3.273 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000423360263 309397022 /nfs/dbraw/zinc/39/70/22/309397022.db2.gz QGBWECNNZDUXKR-ZWKOTPCHSA-N 2 0 343.515 3.290 20 0 EGADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]Cc3ccc4c(c3)C[NH2+]C4)cc12 ZINC000423371520 309397585 /nfs/dbraw/zinc/39/75/85/309397585.db2.gz GLDVGJUKGQUEIW-GFCCVEGCSA-N 2 0 326.469 3.397 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423381723 309397906 /nfs/dbraw/zinc/39/79/06/309397906.db2.gz NXZWCZCRAGLTIQ-MLZLACJZSA-N 2 0 327.516 3.160 20 0 EGADRP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000423393332 309398297 /nfs/dbraw/zinc/39/82/97/309398297.db2.gz QZJCXERMRBSQRH-LPHOPBHVSA-N 2 0 333.520 3.056 20 0 EGADRP COCC1(C[NH2+][C@@H](CSc2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000423413768 309399262 /nfs/dbraw/zinc/39/92/62/309399262.db2.gz ZYDQCNYUZNYGGL-SFHVURJKSA-N 2 0 336.545 3.409 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418658 309399535 /nfs/dbraw/zinc/39/95/35/309399535.db2.gz HXXOPYPQZSMJRS-BPUTZDHNSA-N 2 0 333.476 3.069 20 0 EGADRP Cc1cc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000423419923 309399695 /nfs/dbraw/zinc/39/96/95/309399695.db2.gz WPDITDSARFYVGA-LPHOPBHVSA-N 2 0 347.503 3.028 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(C)c1OC ZINC000423425152 309399883 /nfs/dbraw/zinc/39/98/83/309399883.db2.gz NWPNFGODEOXFLB-XIRDDKMYSA-N 2 0 334.504 3.298 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423427534 309400089 /nfs/dbraw/zinc/40/00/89/309400089.db2.gz IMRKYCTXGQXNRL-CVEARBPZSA-N 2 0 330.476 3.167 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423430302 309400148 /nfs/dbraw/zinc/40/01/48/309400148.db2.gz KXNALCUZJZWUPK-OXJNMPFZSA-N 2 0 327.472 3.481 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000423461989 309401122 /nfs/dbraw/zinc/40/11/22/309401122.db2.gz DDVWWOKRIWOIEZ-HOSYDEDBSA-N 2 0 330.245 3.151 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000423461994 309401144 /nfs/dbraw/zinc/40/11/44/309401144.db2.gz DDVWWOKRIWOIEZ-JBLDHEPKSA-N 2 0 330.245 3.151 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)nnn1-c1ccc(Cl)cc1 ZINC000423480055 309401793 /nfs/dbraw/zinc/40/17/93/309401793.db2.gz MRSKMHLBIIZBRX-XJKSGUPXSA-N 2 0 347.894 3.412 20 0 EGADRP CC(C)(C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423709265 309410498 /nfs/dbraw/zinc/41/04/98/309410498.db2.gz IETVBRITUCZUGK-IBGZPJMESA-N 2 0 343.515 3.190 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000423750680 309411391 /nfs/dbraw/zinc/41/13/91/309411391.db2.gz YAEGUZCXNLFXEV-HXUWFJFHSA-N 2 0 339.483 3.187 20 0 EGADRP C[C@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423787322 309412576 /nfs/dbraw/zinc/41/25/76/309412576.db2.gz CBBRBHSALYTZGX-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccco1 ZINC000424427773 309443301 /nfs/dbraw/zinc/44/33/01/309443301.db2.gz QPFSLMWNTNJJDB-WMLDXEAASA-N 2 0 344.459 3.298 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C2(C[NH3+])CCCC2)CCCC1)c1ccccc1 ZINC000430702077 309615425 /nfs/dbraw/zinc/61/54/25/309615425.db2.gz XMKJBKTWPIBYTQ-QGZVFWFLSA-N 2 0 343.515 3.285 20 0 EGADRP Fc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000430918627 309620955 /nfs/dbraw/zinc/62/09/55/309620955.db2.gz NMVUQQKQSCVAQL-UHFFFAOYSA-N 2 0 346.368 3.342 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000430950115 309622007 /nfs/dbraw/zinc/62/20/07/309622007.db2.gz GAZAWZRGBWZCFE-ZDUSSCGKSA-N 2 0 332.423 3.177 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000430962227 309622345 /nfs/dbraw/zinc/62/23/45/309622345.db2.gz GPSXFYUQDQSPPQ-UHFFFAOYSA-N 2 0 337.467 3.370 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N(CC2CCC2)c2ccccc2)CC1 ZINC000433115387 309679255 /nfs/dbraw/zinc/67/92/55/309679255.db2.gz JKHJIXGPXZXZIA-UHFFFAOYSA-N 2 0 329.488 3.023 20 0 EGADRP CCC(C)(C)C1CCC(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433126842 309679489 /nfs/dbraw/zinc/67/94/89/309679489.db2.gz FBIASOGFOVFOIS-UHFFFAOYSA-N 2 0 337.552 3.301 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885928 309970173 /nfs/dbraw/zinc/97/01/73/309970173.db2.gz BXDSENUWEWISCB-NRFANRHFSA-N 2 0 344.499 3.208 20 0 EGADRP Cc1cccc(CC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000449014855 310029133 /nfs/dbraw/zinc/02/91/33/310029133.db2.gz ADOWSKJLVCLNFT-WOJBJXKFSA-N 2 0 329.532 3.028 20 0 EGADRP CCOC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[nH]c1C ZINC000449082918 310035728 /nfs/dbraw/zinc/03/57/28/310035728.db2.gz QUQWSJVDPGRCGZ-OAHLLOKOSA-N 2 0 335.492 3.102 20 0 EGADRP CSCC1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449099916 310036992 /nfs/dbraw/zinc/03/69/92/310036992.db2.gz AIIJDZOPNRAZEG-OQSMONGASA-N 2 0 328.566 3.387 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000449127778 310038894 /nfs/dbraw/zinc/03/88/94/310038894.db2.gz XKTXJRBXOUHSNX-POAQFYNOSA-N 2 0 349.950 3.277 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000449163331 310041431 /nfs/dbraw/zinc/04/14/31/310041431.db2.gz LVIRSNJRPNTNHJ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccnn2C2CCCC2)cc1F ZINC000449204196 310044410 /nfs/dbraw/zinc/04/44/10/310044410.db2.gz LPLDXEBQQGIHQM-UHFFFAOYSA-N 2 0 330.451 3.489 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)CC2)C1 ZINC000449505543 310067660 /nfs/dbraw/zinc/06/76/60/310067660.db2.gz JXMUTUZMJXPLSF-PSOYPTMXSA-N 2 0 334.548 3.416 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449579799 310073511 /nfs/dbraw/zinc/07/35/11/310073511.db2.gz JVGPCMZPRMOJOX-VAMGGRTRSA-N 2 0 328.500 3.039 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449582878 310073797 /nfs/dbraw/zinc/07/37/97/310073797.db2.gz HJYWOBOQVUVMDM-LULLPPNCSA-N 2 0 336.520 3.351 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449592870 310074358 /nfs/dbraw/zinc/07/43/58/310074358.db2.gz ZDBZBULGJZBXAJ-MDNKFWRPSA-N 2 0 344.499 3.218 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450263556 310111749 /nfs/dbraw/zinc/11/17/49/310111749.db2.gz CDZFAMOPWRTZKN-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450333220 310115963 /nfs/dbraw/zinc/11/59/63/310115963.db2.gz YTJRWMUUZGYGER-HDICACEKSA-N 2 0 349.950 3.373 20 0 EGADRP CCc1cc(N(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000450453005 310123573 /nfs/dbraw/zinc/12/35/73/310123573.db2.gz LAVLTPOOGBLPST-OXJNMPFZSA-N 2 0 341.503 3.287 20 0 EGADRP CO[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561653 310186710 /nfs/dbraw/zinc/18/67/10/310186710.db2.gz IHCKGAIJULOCCS-UNWHRZBZSA-N 2 0 338.536 3.036 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453106934 310258438 /nfs/dbraw/zinc/25/84/38/310258438.db2.gz JXHRJBHAQKXTKJ-OALUTQOASA-N 2 0 336.907 3.362 20 0 EGADRP CCC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)(C)C ZINC000453119431 310259237 /nfs/dbraw/zinc/25/92/37/310259237.db2.gz BPAAEHKGXCASOV-QGZVFWFLSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000453166960 310261977 /nfs/dbraw/zinc/26/19/77/310261977.db2.gz HXPLQRGMEIFCPZ-WSTZPKSXSA-N 2 0 338.499 3.298 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453176284 310262485 /nfs/dbraw/zinc/26/24/85/310262485.db2.gz LSENVFOKCOUVBQ-RBUKOAKNSA-N 2 0 334.891 3.282 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CCO)C(C)(C)C)CC1 ZINC000453193876 310263305 /nfs/dbraw/zinc/26/33/05/310263305.db2.gz NFLUDZBAGVTBOM-FXAWDEMLSA-N 2 0 332.532 3.469 20 0 EGADRP CO[C@H]1COCC[C@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453334958 310271658 /nfs/dbraw/zinc/27/16/58/310271658.db2.gz XPQZPXUWBYOPQK-HAMDTZRPSA-N 2 0 346.515 3.071 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453342984 310271944 /nfs/dbraw/zinc/27/19/44/310271944.db2.gz IINKCCMWOXPISN-WWTUQBGBSA-N 2 0 327.472 3.192 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2F)[C@@H](C)C1 ZINC000453340905 310272048 /nfs/dbraw/zinc/27/20/48/310272048.db2.gz HFEVQMDCCHVUSM-PXNSSMCTSA-N 2 0 336.495 3.403 20 0 EGADRP C[C@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000453381831 310273894 /nfs/dbraw/zinc/27/38/94/310273894.db2.gz RIFXWROOWRIJJV-HLAWJBBLSA-N 2 0 328.500 3.400 20 0 EGADRP Cc1cc(C)c(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000454758763 310327847 /nfs/dbraw/zinc/32/78/47/310327847.db2.gz KXEWIMUPBJIHMT-QGZVFWFLSA-N 2 0 340.471 3.018 20 0 EGADRP Cc1cc(C)c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(C)n1 ZINC000455528608 310365183 /nfs/dbraw/zinc/36/51/83/310365183.db2.gz QTHHBQAYQIMOOS-CYBMUJFWSA-N 2 0 330.476 3.345 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462789167 310605617 /nfs/dbraw/zinc/60/56/17/310605617.db2.gz QWXLZIUGDSNODG-GOSISDBHSA-N 2 0 329.532 3.460 20 0 EGADRP CC(C)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)ccc1F ZINC000479067638 310868611 /nfs/dbraw/zinc/86/86/11/310868611.db2.gz MKOZQQNXDAPCLI-IBGZPJMESA-N 2 0 339.474 3.278 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000480071213 310888903 /nfs/dbraw/zinc/88/89/03/310888903.db2.gz QEESVVNVZCBMOJ-MRXNPFEDSA-N 2 0 325.541 3.314 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000483681089 310954576 /nfs/dbraw/zinc/95/45/76/310954576.db2.gz NBODMEBYMDKQJX-OXQOHEQNSA-N 2 0 334.504 3.483 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000486775155 310998712 /nfs/dbraw/zinc/99/87/12/310998712.db2.gz HYAWJKGYUKWEPQ-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000486939120 311003113 /nfs/dbraw/zinc/00/31/13/311003113.db2.gz JHJIUKSDQQQIEM-XLIONFOSSA-N 2 0 343.515 3.097 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CS1 ZINC000488419272 311064882 /nfs/dbraw/zinc/06/48/82/311064882.db2.gz ZXUMXUALIJLDMF-WOJBJXKFSA-N 2 0 347.572 3.054 20 0 EGADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000493901740 311444062 /nfs/dbraw/zinc/44/40/62/311444062.db2.gz WQSIBDSVZRDTFT-DYESRHJHSA-N 2 0 342.483 3.493 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000496542858 311728063 /nfs/dbraw/zinc/72/80/63/311728063.db2.gz NVRDFVLIVNNIIP-ZWKOTPCHSA-N 2 0 345.487 3.019 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000500501352 311926784 /nfs/dbraw/zinc/92/67/84/311926784.db2.gz LUVGZWZIFJYCQB-KSZLIROESA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H]([NH2+][C@H](CO)CC1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511029751 312153424 /nfs/dbraw/zinc/15/34/24/312153424.db2.gz MKHZSPPBXLGSRP-YYWHXJBOSA-N 2 0 330.516 3.428 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000512180168 312178227 /nfs/dbraw/zinc/17/82/27/312178227.db2.gz MUBBKMLMFHRLKZ-HDICACEKSA-N 2 0 346.515 3.325 20 0 EGADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190453 /nfs/dbraw/zinc/19/04/53/312190453.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 2 0 329.532 3.217 20 0 EGADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512665687 312191822 /nfs/dbraw/zinc/19/18/22/312191822.db2.gz HBXBWSSRMARKSH-BQJUDKOJSA-N 2 0 330.516 3.428 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000515176561 312269417 /nfs/dbraw/zinc/26/94/17/312269417.db2.gz VHHPJFVRLJOSDK-OAHLLOKOSA-N 2 0 325.456 3.215 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000516650552 312335455 /nfs/dbraw/zinc/33/54/55/312335455.db2.gz AKMRXHJELRBYNZ-ZBFHGGJFSA-N 2 0 349.906 3.297 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000516862169 312345974 /nfs/dbraw/zinc/34/59/74/312345974.db2.gz MKQXUGAKVLYCEW-OAQYLSRUSA-N 2 0 326.484 3.222 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cn2)c1 ZINC000516921224 312350729 /nfs/dbraw/zinc/35/07/29/312350729.db2.gz SDIPYGGVQIAJBZ-HNAYVOBHSA-N 2 0 341.455 3.360 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000520563305 312510937 /nfs/dbraw/zinc/51/09/37/312510937.db2.gz XXAPKXLTLDJYDI-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[NH2+]CCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000520580851 312512035 /nfs/dbraw/zinc/51/20/35/312512035.db2.gz QOXDCTFEBJRMES-UHFFFAOYSA-N 2 0 328.460 3.263 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527894575 312968101 /nfs/dbraw/zinc/96/81/01/312968101.db2.gz UDUMMCPDCFNWAO-ACJLOTCBSA-N 2 0 339.886 3.082 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424804 313090099 /nfs/dbraw/zinc/09/00/99/313090099.db2.gz NDWAPWWWTGYKRW-WMQCIHAUSA-N 2 0 346.490 3.332 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528894592 313203738 /nfs/dbraw/zinc/20/37/38/313203738.db2.gz FBMAPINXXGQJPE-IBGZPJMESA-N 2 0 344.503 3.277 20 0 EGADRP Cc1ccc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000531596520 313688337 /nfs/dbraw/zinc/68/83/37/313688337.db2.gz PDVOQFXKOPDHEP-UHFFFAOYSA-N 2 0 341.499 3.451 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000536864857 314150891 /nfs/dbraw/zinc/15/08/91/314150891.db2.gz UIFWHVXAOOWMEU-AZUAARDMSA-N 2 0 334.504 3.100 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC1)CC(C)C ZINC000537996794 314223152 /nfs/dbraw/zinc/22/31/52/314223152.db2.gz XVIAWBCVNHUTII-SFHVURJKSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)NC2CCCC2)CC1)CC1CC1 ZINC000538948467 314286906 /nfs/dbraw/zinc/28/69/06/314286906.db2.gz KRPTZCALSJJYJZ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@@H](C)C1 ZINC000539088516 314295800 /nfs/dbraw/zinc/29/58/00/314295800.db2.gz VLNSSKMEQLOSRA-ZIBCJSCZSA-N 2 0 330.516 3.344 20 0 EGADRP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000540143171 314365756 /nfs/dbraw/zinc/36/57/56/314365756.db2.gz MQHBTDDGRJBKDA-INIZCTEOSA-N 2 0 343.471 3.190 20 0 EGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000549780912 315104023 /nfs/dbraw/zinc/10/40/23/315104023.db2.gz XYTGUJIEYWOLTI-IAISJRAMSA-N 2 0 349.316 3.379 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000550278641 315122946 /nfs/dbraw/zinc/12/29/46/315122946.db2.gz XOLUNFQQNPNGEV-KRWDZBQOSA-N 2 0 342.830 3.020 20 0 EGADRP CC(C)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000550814666 315135534 /nfs/dbraw/zinc/13/55/34/315135534.db2.gz IMNHJSLIDNPINI-HXUWFJFHSA-N 2 0 342.531 3.326 20 0 EGADRP C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000551274145 315148067 /nfs/dbraw/zinc/14/80/67/315148067.db2.gz LEAZLHPDJBODSY-FXAWDEMLSA-N 2 0 348.531 3.466 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551788330 315168194 /nfs/dbraw/zinc/16/81/94/315168194.db2.gz CTBVZIHLUHNZAK-PMACEKPBSA-N 2 0 346.515 3.323 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000554363228 315313122 /nfs/dbraw/zinc/31/31/22/315313122.db2.gz BTJVBKNNULXNMN-YJLNNSPDSA-N 2 0 331.479 3.417 20 0 EGADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Oc1ccncc1 ZINC000554795422 315349234 /nfs/dbraw/zinc/34/92/34/315349234.db2.gz DTQGQMRVKOGCFH-KBXCAEBGSA-N 2 0 337.423 3.086 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc3ccc(F)cc3[nH]2)CC1 ZINC000555514644 315387354 /nfs/dbraw/zinc/38/73/54/315387354.db2.gz ZWYPUULUYJEFGV-UHFFFAOYSA-N 2 0 339.418 3.066 20 0 EGADRP C[NH+](C)C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000558975225 315613168 /nfs/dbraw/zinc/61/31/68/315613168.db2.gz LMXINPSNFZIQEZ-LJQANCHMSA-N 2 0 335.923 3.407 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000563765149 316065742 /nfs/dbraw/zinc/06/57/42/316065742.db2.gz SMEJLOMXNILWLA-PMACEKPBSA-N 2 0 345.462 3.165 20 0 EGADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000564201073 316122739 /nfs/dbraw/zinc/12/27/39/316122739.db2.gz PIFOGZCZHVXTMT-PWRODBHTSA-N 2 0 329.532 3.407 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](C)[NH2+]C3CC3)ccc21 ZINC000564914390 316232694 /nfs/dbraw/zinc/23/26/94/316232694.db2.gz QEZMPRPJQDACHH-OAHLLOKOSA-N 2 0 342.487 3.062 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000564973849 316240506 /nfs/dbraw/zinc/24/05/06/316240506.db2.gz YGECAKDVUFXTFA-MNOVXSKESA-N 2 0 326.366 3.311 20 0 EGADRP C[C@@H](CCc1ccccc1)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000565449083 316325210 /nfs/dbraw/zinc/32/52/10/316325210.db2.gz FMGZTFDQOYNCLS-FQEVSTJZSA-N 2 0 343.559 3.215 20 0 EGADRP CC1(C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000565495922 316331813 /nfs/dbraw/zinc/33/18/13/316331813.db2.gz CLOLAZMYJLVZAF-FQEVSTJZSA-N 2 0 329.532 3.363 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC12CCOCC2 ZINC000565833369 316376482 /nfs/dbraw/zinc/37/64/82/316376482.db2.gz AIMJEUAZZPBWBV-INIZCTEOSA-N 2 0 349.544 3.378 20 0 EGADRP C[C@@](O)(C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C(F)(F)F ZINC000566109300 316417568 /nfs/dbraw/zinc/41/75/68/316417568.db2.gz OMOVWHFWHOIYAL-QGZVFWFLSA-N 2 0 344.421 3.466 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1)c1ccccc1 ZINC000568247921 316748942 /nfs/dbraw/zinc/74/89/42/316748942.db2.gz BBOCMRCWSWMGBG-RLLQIKCJSA-N 2 0 343.515 3.031 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC[NH+](C)CC1 ZINC000568571158 316791321 /nfs/dbraw/zinc/79/13/21/316791321.db2.gz YAVCSNCSPCQVQE-AWEZNQCLSA-N 2 0 347.528 3.049 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cncc(Br)c1 ZINC000569002050 316852575 /nfs/dbraw/zinc/85/25/75/316852575.db2.gz VOLBPMJKPHQUDW-GFCCVEGCSA-N 2 0 338.293 3.369 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000570360058 317044768 /nfs/dbraw/zinc/04/47/68/317044768.db2.gz KGMXNGPUNAIMBJ-OLZOCXBDSA-N 2 0 343.284 3.451 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000570895329 317122473 /nfs/dbraw/zinc/12/24/73/317122473.db2.gz QEMDQPROZBXOAV-GCJKJVERSA-N 2 0 341.543 3.337 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000572009683 317279033 /nfs/dbraw/zinc/27/90/33/317279033.db2.gz WZAHSORUYMXPNB-OLZOCXBDSA-N 2 0 343.393 3.012 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000572304155 317319106 /nfs/dbraw/zinc/31/91/06/317319106.db2.gz GZBVOPKHSFIMKB-IRXDYDNUSA-N 2 0 340.515 3.496 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000572733388 317384675 /nfs/dbraw/zinc/38/46/75/317384675.db2.gz YWXWOGGTWGJKLD-RTBURBONSA-N 2 0 341.455 3.060 20 0 EGADRP CCCC(CCC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000177318322 323338459 /nfs/dbraw/zinc/33/84/59/323338459.db2.gz SYEFWMHVFHVKLU-IBGZPJMESA-N 2 0 345.531 3.442 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(F)cc3cccnc32)C[C@@H](C)O1 ZINC000177749830 323345620 /nfs/dbraw/zinc/34/56/20/323345620.db2.gz ICYYRKSFMBNZEM-HZPDHXFCSA-N 2 0 345.462 3.353 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000178698503 323360092 /nfs/dbraw/zinc/36/00/92/323360092.db2.gz AWJRGSHLXVQZQE-UHFFFAOYSA-N 2 0 327.516 3.367 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000382830309 324253864 /nfs/dbraw/zinc/25/38/64/324253864.db2.gz HTEJUEFSOUIAGU-KBAYOESNSA-N 2 0 347.503 3.182 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000518833433 324390201 /nfs/dbraw/zinc/39/02/01/324390201.db2.gz SREOOWQEDIJNLU-WOJBJXKFSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1nc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080303 325201266 /nfs/dbraw/zinc/20/12/66/325201266.db2.gz CBLMQMRGTWVYKQ-HUUCEWRRSA-N 2 0 331.847 3.345 20 0 EGADRP c1cncc([C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4cccnc4)C3)C2)c1 ZINC000580427794 325248568 /nfs/dbraw/zinc/24/85/68/325248568.db2.gz PJCCTMHXQAQJDM-SFTDATJTSA-N 2 0 336.483 3.146 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000580567665 325268715 /nfs/dbraw/zinc/26/87/15/325268715.db2.gz HOKUTWDAZBDPPX-MOPGFXCFSA-N 2 0 331.504 3.051 20 0 EGADRP [NH3+][C@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000237848678 455225161 /nfs/dbraw/zinc/22/51/61/455225161.db2.gz FESLDNBMORVOIM-LJQANCHMSA-N 2 0 343.515 3.382 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000237898294 455230601 /nfs/dbraw/zinc/23/06/01/455230601.db2.gz ZZWZKOPURFAAPP-JQHSSLGASA-N 2 0 349.906 3.111 20 0 EGADRP [NH3+]C1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCCC1 ZINC000237924529 455234598 /nfs/dbraw/zinc/23/45/98/455234598.db2.gz KQRAKDHHWSPMPL-KRWDZBQOSA-N 2 0 349.906 3.255 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180736043 455236344 /nfs/dbraw/zinc/23/63/44/455236344.db2.gz OSQBMQZGJSKGBN-IAGOWNOFSA-N 2 0 343.515 3.280 20 0 EGADRP COc1c(Br)cccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459734434 458461608 /nfs/dbraw/zinc/46/16/08/458461608.db2.gz HDJUITGXXGNJBG-ZDUSSCGKSA-N 2 0 341.293 3.279 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495351696 458840304 /nfs/dbraw/zinc/84/03/04/458840304.db2.gz HHMIQEGHRHLKGZ-GJZGRUSLSA-N 2 0 327.513 3.094 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000238061780 455249899 /nfs/dbraw/zinc/24/98/99/455249899.db2.gz YUWWMZACBBHTDN-OAQYLSRUSA-N 2 0 349.478 3.498 20 0 EGADRP C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000183225897 455254789 /nfs/dbraw/zinc/25/47/89/455254789.db2.gz FWQMDDHJNAUDBL-TTYHFUOFSA-N 2 0 344.499 3.235 20 0 EGADRP O=C(NCC[NH+]1CCCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010691475 453298564 /nfs/dbraw/zinc/29/85/64/453298564.db2.gz QEYIBHKZLQLTBH-UHFFFAOYSA-N 2 0 343.515 3.278 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000081333097 453862120 /nfs/dbraw/zinc/86/21/20/453862120.db2.gz CFKFDXPOYLADCM-IBGZPJMESA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000081401622 453868930 /nfs/dbraw/zinc/86/89/30/453868930.db2.gz ZLKFIQDPUJCJKX-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP Fc1cccc(Cl)c1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000075937825 453939917 /nfs/dbraw/zinc/93/99/17/453939917.db2.gz UZEJGPVMHSQNHX-UHFFFAOYSA-N 2 0 340.870 3.066 20 0 EGADRP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000056525142 454065209 /nfs/dbraw/zinc/06/52/09/454065209.db2.gz KVRNBPIUZFGGGM-GOSISDBHSA-N 2 0 345.531 3.144 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000057912595 454156504 /nfs/dbraw/zinc/15/65/04/454156504.db2.gz SNJHANJZZVDURK-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555981 454162267 /nfs/dbraw/zinc/16/22/67/454162267.db2.gz FVNKEJNMRBTLAD-IOASZLSFSA-N 2 0 348.878 3.251 20 0 EGADRP C[C@@H]1C[C@@H](N(C)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000089615099 454167384 /nfs/dbraw/zinc/16/73/84/454167384.db2.gz LWPYVRYFFLFCGS-GIVPXCGWSA-N 2 0 329.532 3.456 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)[C@H](C)C1 ZINC000089627538 454169937 /nfs/dbraw/zinc/16/99/37/454169937.db2.gz DAHGMOASRJRVOL-SJLPKXTDSA-N 2 0 327.472 3.324 20 0 EGADRP Clc1cccc(-c2noc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)c1 ZINC000089728239 454184228 /nfs/dbraw/zinc/18/42/28/454184228.db2.gz IPWJNCOUKFAHGY-JKSUJKDBSA-N 2 0 346.862 3.149 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000120002447 454245524 /nfs/dbraw/zinc/24/55/24/454245524.db2.gz ZTGNKTGXLZNURJ-IOASZLSFSA-N 2 0 330.394 3.446 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000120241702 454277085 /nfs/dbraw/zinc/27/70/85/454277085.db2.gz LVKZAWLBLQAICC-BBRMVZONSA-N 2 0 337.305 3.411 20 0 EGADRP Cc1ccc(C(=O)NCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000131845449 454290549 /nfs/dbraw/zinc/29/05/49/454290549.db2.gz OTXUCPUBXDKULN-UHFFFAOYSA-N 2 0 343.515 3.112 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000191059652 455434308 /nfs/dbraw/zinc/43/43/08/455434308.db2.gz FFJCIDNJYORGTB-UWHLTILDSA-N 2 0 333.564 3.469 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522779 454316122 /nfs/dbraw/zinc/31/61/22/454316122.db2.gz IASXNDYFKXXZKO-HUJKARHJSA-N 2 0 328.500 3.277 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCSCc3ccccc3)C2)CC1 ZINC000090529709 454316707 /nfs/dbraw/zinc/31/67/07/454316707.db2.gz OAKPHGJXONDQRR-HXUWFJFHSA-N 2 0 347.572 3.022 20 0 EGADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C(C)C ZINC000120684613 454334267 /nfs/dbraw/zinc/33/42/67/454334267.db2.gz OPRMDBXAZYWAFC-FQEVSTJZSA-N 2 0 334.504 3.168 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000132586416 454349799 /nfs/dbraw/zinc/34/97/99/454349799.db2.gz OVLFAZWHPDFCTH-FGZHOGPDSA-N 2 0 343.559 3.178 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)ccn1 ZINC000090936956 454351778 /nfs/dbraw/zinc/35/17/78/454351778.db2.gz LBEAEYHSUSAECE-GOSISDBHSA-N 2 0 345.874 3.453 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000090937020 454352093 /nfs/dbraw/zinc/35/20/93/454352093.db2.gz LRHJTFHQVWQPSW-IBGZPJMESA-N 2 0 325.456 3.108 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000097162449 454419795 /nfs/dbraw/zinc/41/97/95/454419795.db2.gz NAELIHJFDUAJGD-SFHVURJKSA-N 2 0 326.488 3.437 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000121357168 454425384 /nfs/dbraw/zinc/42/53/84/454425384.db2.gz VTGTVYHKWMRSPQ-BEFAXECRSA-N 2 0 335.923 3.191 20 0 EGADRP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000091333366 454427923 /nfs/dbraw/zinc/42/79/23/454427923.db2.gz OCNPBVIZBYEJBA-OXJNMPFZSA-N 2 0 333.495 3.283 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000121722678 454469875 /nfs/dbraw/zinc/46/98/75/454469875.db2.gz LMEYMLGNNRPDIN-MRXNPFEDSA-N 2 0 345.487 3.416 20 0 EGADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564901 454499081 /nfs/dbraw/zinc/49/90/81/454499081.db2.gz MKKPXMFRRFVVEH-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP c1cnn(-c2cccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)c1 ZINC000092066186 454511714 /nfs/dbraw/zinc/51/17/14/454511714.db2.gz LXQDOXXOFSXPBX-NQIIRXRSSA-N 2 0 336.483 3.321 20 0 EGADRP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066508 454512487 /nfs/dbraw/zinc/51/24/87/454512487.db2.gz HSDMHQLZJPRTSS-YLJYHZDGSA-N 2 0 327.472 3.094 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122877716 454577773 /nfs/dbraw/zinc/57/77/73/454577773.db2.gz POTIHIUJZONHNA-INMHGKMJSA-N 2 0 332.488 3.054 20 0 EGADRP CCOCC[N@H+](CC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092537817 454583178 /nfs/dbraw/zinc/58/31/78/454583178.db2.gz ALLYPGSBQGOVID-UHFFFAOYSA-N 2 0 333.520 3.075 20 0 EGADRP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123126884 454605109 /nfs/dbraw/zinc/60/51/09/454605109.db2.gz LUYLHLKVBRCFQK-UHFFFAOYSA-N 2 0 331.504 3.296 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000104946954 454610707 /nfs/dbraw/zinc/61/07/07/454610707.db2.gz JJQGSDSHGZTLCC-QHCPKHFHSA-N 2 0 336.545 3.238 20 0 EGADRP Nc1ccc(-c2cccc(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000634990926 460643733 /nfs/dbraw/zinc/64/37/33/460643733.db2.gz IHXBYOHRSWRYEY-LEWJYISDSA-N 2 0 336.483 3.437 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000092720719 454617055 /nfs/dbraw/zinc/61/70/55/454617055.db2.gz SRNILSRNWLQASP-GOSISDBHSA-N 2 0 345.531 3.138 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000092740003 454622770 /nfs/dbraw/zinc/62/27/70/454622770.db2.gz RGHGQOHRTWORSX-MSOLQXFVSA-N 2 0 345.531 3.138 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000123494674 454643811 /nfs/dbraw/zinc/64/38/11/454643811.db2.gz AYRIFSPOCXKIJV-UHFFFAOYSA-N 2 0 342.487 3.333 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000065981513 454646950 /nfs/dbraw/zinc/64/69/50/454646950.db2.gz CGLDHVCZINAOIN-CYBMUJFWSA-N 2 0 340.393 3.321 20 0 EGADRP Cc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000123625090 454658085 /nfs/dbraw/zinc/65/80/85/454658085.db2.gz YVXOFIOWPZHPDR-UHFFFAOYSA-N 2 0 331.504 3.296 20 0 EGADRP FC(F)CN1CCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000623625514 460647599 /nfs/dbraw/zinc/64/75/99/460647599.db2.gz VERHGGPZJTWAQK-KRWDZBQOSA-N 2 0 329.479 3.103 20 0 EGADRP COCC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093103670 454683133 /nfs/dbraw/zinc/68/31/33/454683133.db2.gz OSRBVCICLQTXQH-UHFFFAOYSA-N 2 0 345.531 3.075 20 0 EGADRP COCc1cc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)ccc1OC ZINC000152798017 454726522 /nfs/dbraw/zinc/72/65/22/454726522.db2.gz OPGDUNVPFWCXPA-OAHLLOKOSA-N 2 0 343.471 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000124419880 454730328 /nfs/dbraw/zinc/73/03/28/454730328.db2.gz QZBPFELKQZHELJ-ZDUSSCGKSA-N 2 0 343.437 3.028 20 0 EGADRP Cc1nc(C)c([C@H](C)N(C)C[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000106936576 454733029 /nfs/dbraw/zinc/73/30/29/454733029.db2.gz NXGGPEBJINRKAA-MAUKXSAKSA-N 2 0 347.528 3.246 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cnn1-c1ccc(F)cc1 ZINC000635008406 460651989 /nfs/dbraw/zinc/65/19/89/460651989.db2.gz UBTKHRMDYPGAMQ-FRFSOERESA-N 2 0 330.451 3.488 20 0 EGADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162488841 454778847 /nfs/dbraw/zinc/77/88/47/454778847.db2.gz ZRUPRGUCFQBYBG-OAQYLSRUSA-N 2 0 347.547 3.400 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000153368350 454786922 /nfs/dbraw/zinc/78/69/22/454786922.db2.gz GWSFOPSOLXWVCZ-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP CN(CC1CC[NH+](CCC[NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000153496605 454800244 /nfs/dbraw/zinc/80/02/44/454800244.db2.gz DLFNNECGEYCELL-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP CSc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139811120 454811451 /nfs/dbraw/zinc/81/14/51/454811451.db2.gz UXFFNSKHFAKTJC-BFYDXBDKSA-N 2 0 347.528 3.152 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000177315925 454851105 /nfs/dbraw/zinc/85/11/05/454851105.db2.gz LSQVEGOQNWNMPN-DYESRHJHSA-N 2 0 341.474 3.141 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000163774231 454864034 /nfs/dbraw/zinc/86/40/34/454864034.db2.gz WHLPQUPNXZWRNA-UHFFFAOYSA-N 2 0 339.474 3.348 20 0 EGADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000154233745 454876845 /nfs/dbraw/zinc/87/68/45/454876845.db2.gz PUVSGXMDEISXKA-HXUWFJFHSA-N 2 0 333.520 3.154 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768131 454889168 /nfs/dbraw/zinc/88/91/68/454889168.db2.gz LSWGIOHGDJWQQV-HUUCEWRRSA-N 2 0 335.879 3.085 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)N1CC[NH+](C)CC1 ZINC000177850944 454912641 /nfs/dbraw/zinc/91/26/41/454912641.db2.gz ZKRZKMATNZWQAI-LAUBAEHRSA-N 2 0 340.515 3.157 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc2ccccc2n1)N1CC[NH+](C)CC1 ZINC000177850982 454913202 /nfs/dbraw/zinc/91/32/02/454913202.db2.gz ZKRZKMATNZWQAI-UTKZUKDTSA-N 2 0 340.515 3.157 20 0 EGADRP CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717107 454923083 /nfs/dbraw/zinc/92/30/83/454923083.db2.gz OHZHCMLDRHFZLG-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000178038104 454928755 /nfs/dbraw/zinc/92/87/55/454928755.db2.gz RYHDTMOGFYGJSN-RTBURBONSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000154940810 454945543 /nfs/dbraw/zinc/94/55/43/454945543.db2.gz KMRVRKVBMUKBNL-STQMWFEESA-N 2 0 330.303 3.280 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(C)o2)CC1 ZINC000151198403 454952233 /nfs/dbraw/zinc/95/22/33/454952233.db2.gz MHARVKXAMUUKOM-SFHVURJKSA-N 2 0 347.503 3.106 20 0 EGADRP C[C@@H]([NH2+]CCOc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000155244369 454979000 /nfs/dbraw/zinc/97/90/00/454979000.db2.gz ZVHXVBDDEJBPAF-QGZVFWFLSA-N 2 0 328.456 3.357 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000128597264 455071119 /nfs/dbraw/zinc/07/11/19/455071119.db2.gz WFYVDJVGQRXKOK-UHFFFAOYSA-N 2 0 339.483 3.000 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000129266969 455103747 /nfs/dbraw/zinc/10/37/47/455103747.db2.gz UVWVDUPHZSHFLS-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129280354 455104453 /nfs/dbraw/zinc/10/44/53/455104453.db2.gz NESNMIKPUJGJIH-HZPDHXFCSA-N 2 0 335.458 3.115 20 0 EGADRP CCCN(Cc1ccc(C)cc1)C(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152358517 455107171 /nfs/dbraw/zinc/10/71/71/455107171.db2.gz UEXTZYLHZLCAMV-HXUWFJFHSA-N 2 0 345.531 3.007 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000152438959 455119718 /nfs/dbraw/zinc/11/97/18/455119718.db2.gz ATJOAFQZAWYOFD-QGZVFWFLSA-N 2 0 347.934 3.378 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180110927 455133719 /nfs/dbraw/zinc/13/37/19/455133719.db2.gz ALQNCKGPRGIFJG-GHTZIAJQSA-N 2 0 329.532 3.236 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000180403776 455164354 /nfs/dbraw/zinc/16/43/54/455164354.db2.gz KIKNXJKZODOFAY-KRWDZBQOSA-N 3 0 333.520 3.150 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCCCC(=O)OCc2ccccc2)CC1 ZINC000180464367 455174786 /nfs/dbraw/zinc/17/47/86/455174786.db2.gz ZRBWBPMXYLNKRS-UHFFFAOYSA-N 2 0 332.488 3.363 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000264018461 455184437 /nfs/dbraw/zinc/18/44/37/455184437.db2.gz IJCULJYCJGDWMQ-QGZVFWFLSA-N 2 0 331.504 3.105 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000180508489 455186232 /nfs/dbraw/zinc/18/62/32/455186232.db2.gz WGHAKKZRPNWZPB-GOSISDBHSA-N 2 0 346.515 3.376 20 0 EGADRP Fc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1F ZINC000182959014 455198652 /nfs/dbraw/zinc/19/86/52/455198652.db2.gz DQEVEFCNAFDNGZ-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP CCOc1ccc(NC(=O)[C@@H](C)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173634327 455320254 /nfs/dbraw/zinc/32/02/54/455320254.db2.gz DQVWDSAESJXTFB-AEFFLSMTSA-N 2 0 347.503 3.219 20 0 EGADRP C[C@H]1CCCN1C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158977676 455342505 /nfs/dbraw/zinc/34/25/05/455342505.db2.gz DAFZFGGPVLPMCJ-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CCC[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000245649829 455348007 /nfs/dbraw/zinc/34/80/07/455348007.db2.gz HAMLVPAWUCXOHU-NHCUHLMSSA-N 2 0 329.532 3.282 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000190942767 455411502 /nfs/dbraw/zinc/41/15/02/455411502.db2.gz DLQLVLXAXNBGMI-HXUWFJFHSA-N 2 0 340.467 3.404 20 0 EGADRP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246104789 455427801 /nfs/dbraw/zinc/42/78/01/455427801.db2.gz WVLCJDLJOSBIAG-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)C1CC1 ZINC000246198221 455446312 /nfs/dbraw/zinc/44/63/12/455446312.db2.gz AMEYPZSHLDFGMD-QGZVFWFLSA-N 2 0 343.515 3.162 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC000246285288 455463467 /nfs/dbraw/zinc/46/34/67/455463467.db2.gz BWQQTYGMJSXIJM-SEPYTNNBSA-N 2 0 336.545 3.443 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246823517 455527380 /nfs/dbraw/zinc/52/73/80/455527380.db2.gz CJFRHPCFZKCOCY-IXDOHACOSA-N 2 0 339.524 3.001 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182544301 455537673 /nfs/dbraw/zinc/53/76/73/455537673.db2.gz VZNOQXIKENCUAW-QGZVFWFLSA-N 2 0 335.495 3.372 20 0 EGADRP CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247115888 455561979 /nfs/dbraw/zinc/56/19/79/455561979.db2.gz AGOLLZQMUDGETH-AABGKKOBSA-N 2 0 343.515 3.012 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000247188587 455570067 /nfs/dbraw/zinc/57/00/67/455570067.db2.gz ZUAGGKGEYDPUKJ-RTWAWAEBSA-N 2 0 329.532 3.015 20 0 EGADRP Cc1nc(C)c(C)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000192227030 455577604 /nfs/dbraw/zinc/57/76/04/455577604.db2.gz MCSSURPWIBDLQO-LJQANCHMSA-N 2 0 340.471 3.105 20 0 EGADRP CC(C)O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000292205904 455596443 /nfs/dbraw/zinc/59/64/43/455596443.db2.gz PDVQGJGQOUQQPD-NRFANRHFSA-N 2 0 346.515 3.197 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)[C@@H](C)C1 ZINC000283939863 455614682 /nfs/dbraw/zinc/61/46/82/455614682.db2.gz FJCFFDZMFRUWLT-FFZOFVMBSA-N 2 0 346.515 3.496 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000283989794 455620896 /nfs/dbraw/zinc/62/08/96/455620896.db2.gz MAQFCOVNLTXWJT-UHFFFAOYSA-N 2 0 336.439 3.106 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(C(F)(F)F)c2)CCCO1 ZINC000277640181 455621524 /nfs/dbraw/zinc/62/15/24/455621524.db2.gz CUGNMORXGVJPNO-AWEZNQCLSA-N 2 0 330.394 3.296 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(C)(C)n2cncn2)c1 ZINC000284009206 455622930 /nfs/dbraw/zinc/62/29/30/455622930.db2.gz IDIAKTXANWMKNI-MRXNPFEDSA-N 2 0 329.492 3.033 20 0 EGADRP CCOCCC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000271425882 455631588 /nfs/dbraw/zinc/63/15/88/455631588.db2.gz AAXUFTNRKWLXQA-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000284115577 455638030 /nfs/dbraw/zinc/63/80/30/455638030.db2.gz NMDHNBAZVDNZKK-QGZVFWFLSA-N 2 0 342.487 3.132 20 0 EGADRP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271445768 455638785 /nfs/dbraw/zinc/63/87/85/455638785.db2.gz CTFAHZDQRXLPGG-WMZOPIPTSA-N 2 0 332.488 3.379 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(OC)cc1 ZINC000271497330 455659984 /nfs/dbraw/zinc/65/99/84/455659984.db2.gz LHSOKWCYBHCPSL-UFYCRDLUSA-N 2 0 332.488 3.114 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(OC)cc1 ZINC000271497327 455660763 /nfs/dbraw/zinc/66/07/63/455660763.db2.gz LHSOKWCYBHCPSL-SLFFLAALSA-N 2 0 332.488 3.114 20 0 EGADRP C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247973584 455663233 /nfs/dbraw/zinc/66/32/33/455663233.db2.gz HNYGBNGLKWSOFF-NJAFHUGGSA-N 2 0 340.471 3.138 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000247999850 455668198 /nfs/dbraw/zinc/66/81/98/455668198.db2.gz KGODOHXWDQUZNY-ZCNNSNEGSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248006794 455669763 /nfs/dbraw/zinc/66/97/63/455669763.db2.gz KXBDFCBNXIZTEK-GUXCAODWSA-N 2 0 334.479 3.276 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000248034824 455673576 /nfs/dbraw/zinc/67/35/76/455673576.db2.gz RJJRQMKKLLXOKP-OXQOHEQNSA-N 2 0 327.447 3.263 20 0 EGADRP COc1ccccc1C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C(C)C ZINC000268905475 455725553 /nfs/dbraw/zinc/72/55/53/455725553.db2.gz LVACEYREBDMYTO-VQTJNVASSA-N 2 0 348.531 3.089 20 0 EGADRP COc1ccccc1C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)C ZINC000268905476 455725841 /nfs/dbraw/zinc/72/58/41/455725841.db2.gz LVACEYREBDMYTO-WOJBJXKFSA-N 2 0 348.531 3.089 20 0 EGADRP COC(=O)c1cc([C@H](C)N2CCC[C@@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778884 455755433 /nfs/dbraw/zinc/75/54/33/455755433.db2.gz YYIVBUPLQACKAE-GOEBONIOSA-N 2 0 334.460 3.386 20 0 EGADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000186409210 455761935 /nfs/dbraw/zinc/76/19/35/455761935.db2.gz JGZZGOIHNUJJGI-KRWDZBQOSA-N 2 0 343.515 3.181 20 0 EGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C[NH3+])cc1 ZINC000186470803 455776320 /nfs/dbraw/zinc/77/63/20/455776320.db2.gz CGLATJKBPJOIKM-UHFFFAOYSA-N 2 0 345.874 3.003 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249867887 455780005 /nfs/dbraw/zinc/78/00/05/455780005.db2.gz IPPHRCPTLLYIDI-FGTMMUONSA-N 2 0 343.515 3.029 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000249881350 455781040 /nfs/dbraw/zinc/78/10/40/455781040.db2.gz HQDJUGKPKBDFJR-KNOXWWKRSA-N 2 0 342.527 3.428 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCOCC(F)F)CC1 ZINC000285126148 455793223 /nfs/dbraw/zinc/79/32/23/455793223.db2.gz LFPRAOFGKQSZBC-UHFFFAOYSA-N 2 0 326.431 3.301 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000271876813 455795530 /nfs/dbraw/zinc/79/55/30/455795530.db2.gz OGLRZKCINGMPNA-QGZVFWFLSA-N 2 0 335.289 3.158 20 0 EGADRP C[C@H]1C[C@@H](NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@@H+]1C ZINC000186570078 455795739 /nfs/dbraw/zinc/79/57/39/455795739.db2.gz GAQWAEWRBQVARI-JQFCIGGWSA-N 2 0 343.437 3.380 20 0 EGADRP Cc1cnc([C@H](C)NCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000285290772 455818334 /nfs/dbraw/zinc/81/83/34/455818334.db2.gz BDLBUBPSUBVJCH-KRWDZBQOSA-N 2 0 344.528 3.314 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCOCC4)[C@H]3C2)cc1 ZINC000285506412 455860513 /nfs/dbraw/zinc/86/05/13/455860513.db2.gz ALIYATOSSHTNKY-JBACZVJFSA-N 2 0 328.500 3.446 20 0 EGADRP C[N@H+](CCOCC[NH3+])Cc1cc(Cl)ccc1OC1CCCC1 ZINC000629665549 460855584 /nfs/dbraw/zinc/85/55/84/460855584.db2.gz WTUOTLPIZWKOHC-UHFFFAOYSA-N 2 0 326.868 3.069 20 0 EGADRP CC(C)CO[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000255696504 455872574 /nfs/dbraw/zinc/87/25/74/455872574.db2.gz FWMYYBYNFJGQAI-GGJLBNBESA-N 2 0 338.536 3.036 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC(F)F ZINC000261600214 455910275 /nfs/dbraw/zinc/91/02/75/455910275.db2.gz AZXGMHXUSDCFTN-ZNMIVQPWSA-N 2 0 340.414 3.246 20 0 EGADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261646312 455920614 /nfs/dbraw/zinc/92/06/14/455920614.db2.gz ASTOYFSNNRAPMZ-LBPRGKRZSA-N 2 0 338.377 3.266 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000261708689 455931864 /nfs/dbraw/zinc/93/18/64/455931864.db2.gz KWGLPAJXOMBBLA-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272380763 455932654 /nfs/dbraw/zinc/93/26/54/455932654.db2.gz WHGODXSAIBMDMA-QRFRQXIXSA-N 2 0 338.499 3.298 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000261729125 455937008 /nfs/dbraw/zinc/93/70/08/455937008.db2.gz KSZXDHYDUGUBLQ-BTHPGYMESA-N 2 0 343.515 3.015 20 0 EGADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000261771261 455944511 /nfs/dbraw/zinc/94/45/11/455944511.db2.gz ITOZZEKTHCHVRS-SFHVURJKSA-N 2 0 329.488 3.043 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261783092 455947172 /nfs/dbraw/zinc/94/71/72/455947172.db2.gz XZYJPAKZZOIABZ-LJQANCHMSA-N 2 0 330.472 3.252 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261815456 455953220 /nfs/dbraw/zinc/95/32/20/455953220.db2.gz NRRPARNDSYUPLK-LPHOPBHVSA-N 2 0 331.504 3.118 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000261898556 455967216 /nfs/dbraw/zinc/96/72/16/455967216.db2.gz USRTWHXGVYLCJJ-IAGOWNOFSA-N 2 0 349.544 3.027 20 0 EGADRP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262150123 456004101 /nfs/dbraw/zinc/00/41/01/456004101.db2.gz RCGKTJCTSCJSQQ-QFIPXVFZSA-N 2 0 335.495 3.142 20 0 EGADRP Cc1nccn1CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272601945 456009705 /nfs/dbraw/zinc/00/97/05/456009705.db2.gz YNSULFFINOZLFR-FXAWDEMLSA-N 2 0 326.488 3.082 20 0 EGADRP COC1CCC([N@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000286269691 456012788 /nfs/dbraw/zinc/01/27/88/456012788.db2.gz DYVVIQBEASUJHC-UHFFFAOYSA-N 2 0 345.531 3.088 20 0 EGADRP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000262415570 456034159 /nfs/dbraw/zinc/03/41/59/456034159.db2.gz DNBULXPCEYADRV-GFCCVEGCSA-N 2 0 344.286 3.396 20 0 EGADRP Clc1c2ccccc2sc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262455174 456037828 /nfs/dbraw/zinc/03/78/28/456037828.db2.gz ICWVSTOXVAPYTH-ZDUSSCGKSA-N 2 0 335.904 3.034 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)CC3 ZINC000272905641 456107693 /nfs/dbraw/zinc/10/76/93/456107693.db2.gz KWGKBDMPPPRWME-PXIJXODZSA-N 2 0 339.483 3.106 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000624121692 460869266 /nfs/dbraw/zinc/86/92/66/460869266.db2.gz BBIOELVFPVPLRA-ZFWWWQNUSA-N 2 0 325.522 3.023 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000236939447 456206024 /nfs/dbraw/zinc/20/60/24/456206024.db2.gz KNZROULZNMZVBM-FQEVSTJZSA-N 2 0 337.467 3.354 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000236938438 456206250 /nfs/dbraw/zinc/20/62/50/456206250.db2.gz HTDAKOWFQZINSI-KZNAEPCWSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000273187562 456206891 /nfs/dbraw/zinc/20/68/91/456206891.db2.gz GBBIRZBAJGVNJX-KURKYZTESA-N 2 0 334.504 3.483 20 0 EGADRP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000236967898 456210183 /nfs/dbraw/zinc/21/01/83/456210183.db2.gz YDERAZYBDPURMR-HXUWFJFHSA-N 2 0 339.483 3.159 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1 ZINC000290015682 456216545 /nfs/dbraw/zinc/21/65/45/456216545.db2.gz BWRBKDUINZZHJE-HNNXBMFYSA-N 2 0 331.435 3.402 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000237041432 456223511 /nfs/dbraw/zinc/22/35/11/456223511.db2.gz BOOWZQFTHWVCFM-LJQANCHMSA-N 2 0 325.456 3.428 20 0 EGADRP C[C@H]1CN(c2ccccc2C[NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000297447795 456223564 /nfs/dbraw/zinc/22/35/64/456223564.db2.gz OVOCVMNZIVLNTK-IBGZPJMESA-N 2 0 345.531 3.267 20 0 EGADRP Cn1c2ccccc2nc1[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000297457880 456225434 /nfs/dbraw/zinc/22/54/34/456225434.db2.gz QPSXLHBQTJLHEM-FQEVSTJZSA-N 2 0 334.467 3.252 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000290099371 456239649 /nfs/dbraw/zinc/23/96/49/456239649.db2.gz HWZRFKPYCLLQND-NRSPTQNISA-N 2 0 329.532 3.361 20 0 EGADRP Cc1cc(-c2noc([C@H](C)N3CCC[C@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723181 456254897 /nfs/dbraw/zinc/25/48/97/456254897.db2.gz UZIXZJDRJXWASY-IFXJQAMLSA-N 2 0 344.434 3.321 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000290299043 456283489 /nfs/dbraw/zinc/28/34/89/456283489.db2.gz NJYOIKLUVXMGQC-LJQANCHMSA-N 2 0 343.446 3.328 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(C2CC2)c1)N1CC[NH+](C)CC1 ZINC000340175045 456293250 /nfs/dbraw/zinc/29/32/50/456293250.db2.gz WEKZUDOJPFEWMF-DYESRHJHSA-N 2 0 329.532 3.487 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000275727237 456297698 /nfs/dbraw/zinc/29/76/98/456297698.db2.gz WRIDTUQJEAYDMW-UHFFFAOYSA-N 2 0 325.456 3.105 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000347676427 456298772 /nfs/dbraw/zinc/29/87/72/456298772.db2.gz VNABEVXQJHXYGQ-GOSISDBHSA-N 2 0 340.556 3.059 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416361 456322304 /nfs/dbraw/zinc/32/23/04/456322304.db2.gz KJVWLOPVEUBVCW-PKOBYXMFSA-N 2 0 338.455 3.185 20 0 EGADRP C[C@@H](NCc1cnc([C@H](C)O)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290471369 456338164 /nfs/dbraw/zinc/33/81/64/456338164.db2.gz UTUBDTIDGHNACI-HLLBOEOZSA-N 2 0 345.512 3.197 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275930808 456352443 /nfs/dbraw/zinc/35/24/43/456352443.db2.gz XLQGRVPJZXPSIN-VQTJNVASSA-N 2 0 330.516 3.322 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000343044322 456368715 /nfs/dbraw/zinc/36/87/15/456368715.db2.gz HSQYLCXPLUVROM-KSZLIROESA-N 2 0 337.552 3.218 20 0 EGADRP CCN1CC[NH+](C[C@@H](C)CNc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000302648281 456368780 /nfs/dbraw/zinc/36/87/80/456368780.db2.gz JJVKFAGJXIILLK-HNNXBMFYSA-N 2 0 344.478 3.368 20 0 EGADRP CC[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+](CC)CC ZINC000337542401 456369012 /nfs/dbraw/zinc/36/90/12/456369012.db2.gz AICMVIUJNMTIIV-ACBHZAAOSA-N 2 0 337.552 3.266 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000343045491 456369319 /nfs/dbraw/zinc/36/93/19/456369319.db2.gz MMHVAFOHODPTJV-KRWDZBQOSA-N 2 0 331.504 3.092 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000343047073 456370191 /nfs/dbraw/zinc/37/01/91/456370191.db2.gz VNOLRXAYODLSRW-KRWDZBQOSA-N 2 0 337.552 3.220 20 0 EGADRP CN1CC[C@@H]([NH2+]CCOc2ncccc2F)C[C@@H]1c1ccccc1 ZINC000340308378 456377332 /nfs/dbraw/zinc/37/73/32/456377332.db2.gz ZUPWNZLDYKWTOD-SJLPKXTDSA-N 2 0 329.419 3.025 20 0 EGADRP COc1cccc2c1ncc(C)c2N1CCN(Cc2ccncc2)CC1 ZINC000302721663 456383654 /nfs/dbraw/zinc/38/36/54/456383654.db2.gz PLCJQGIOYPBKED-UHFFFAOYSA-N 2 0 348.450 3.269 20 0 EGADRP COc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000298252841 456404843 /nfs/dbraw/zinc/40/48/43/456404843.db2.gz DPVCZDQTCASVHJ-NRFANRHFSA-N 2 0 343.515 3.049 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000282191632 456438386 /nfs/dbraw/zinc/43/83/86/456438386.db2.gz NIZTUVQZVYGVKP-YYWHXJBOSA-N 2 0 346.515 3.202 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000282257704 456459038 /nfs/dbraw/zinc/45/90/38/456459038.db2.gz QSBTWYOXECNOKV-NHCUHLMSSA-N 2 0 342.527 3.490 20 0 EGADRP C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000340449574 456468765 /nfs/dbraw/zinc/46/87/65/456468765.db2.gz NCCFJQCFUUEIMC-HUUCEWRRSA-N 2 0 329.444 3.139 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340455057 456469728 /nfs/dbraw/zinc/46/97/28/456469728.db2.gz QSADBAQOOGGQFX-BHYGNILZSA-N 2 0 328.435 3.289 20 0 EGADRP c1cc(N2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)cc[nH+]1 ZINC000298487470 456470936 /nfs/dbraw/zinc/47/09/36/456470936.db2.gz PSEUTUMNUNWLEW-UHFFFAOYSA-N 2 0 339.439 3.002 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000298596326 456498526 /nfs/dbraw/zinc/49/85/26/456498526.db2.gz YTVSOTJYFMQHNZ-MOPGFXCFSA-N 2 0 345.531 3.122 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282513912 456538083 /nfs/dbraw/zinc/53/80/83/456538083.db2.gz ZEGPXWXLDSJNRA-KRWDZBQOSA-N 2 0 333.520 3.150 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[NH+](C)CC1 ZINC000353192141 456549153 /nfs/dbraw/zinc/54/91/53/456549153.db2.gz PXYQEJNUQCSGRF-UHFFFAOYSA-N 2 0 348.434 3.344 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657897813 462310863 /nfs/dbraw/zinc/31/08/63/462310863.db2.gz JSYRDJZECIGEOC-GOSISDBHSA-N 2 0 337.939 3.277 20 0 EGADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276741635 456567026 /nfs/dbraw/zinc/56/70/26/456567026.db2.gz GQAHCYOMRBVMMR-KRWDZBQOSA-N 2 0 331.504 3.140 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000348254723 456573891 /nfs/dbraw/zinc/57/38/91/456573891.db2.gz FTQJAMGEKCZALA-IEBWSBKVSA-N 2 0 343.515 3.161 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000310184423 456579595 /nfs/dbraw/zinc/57/95/95/456579595.db2.gz YCHJPLDHJPNMDS-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310474105 456583926 /nfs/dbraw/zinc/58/39/26/456583926.db2.gz CEPJDEVYIBUTHU-NVXWUHKLSA-N 2 0 344.421 3.456 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000353280688 456606350 /nfs/dbraw/zinc/60/63/50/456606350.db2.gz WOXULZGNHUEJES-HUUCEWRRSA-N 2 0 330.463 3.291 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc(OC)n2)cc1 ZINC000276953844 456630086 /nfs/dbraw/zinc/63/00/86/456630086.db2.gz KKIJEQFQNCIADJ-UHFFFAOYSA-N 2 0 343.471 3.101 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000353451751 456698623 /nfs/dbraw/zinc/69/86/23/456698623.db2.gz XUZCVYYFVFCUIE-IRXDYDNUSA-N 2 0 327.476 3.182 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000283201538 456735924 /nfs/dbraw/zinc/73/59/24/456735924.db2.gz GKZZUAAGWGESGZ-SFHVURJKSA-N 2 0 333.495 3.031 20 0 EGADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186908 456804505 /nfs/dbraw/zinc/80/45/05/456804505.db2.gz FXZMVWHZXQHYOL-WIYYLYMNSA-N 2 0 329.532 3.348 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000292178401 456876843 /nfs/dbraw/zinc/87/68/43/456876843.db2.gz WQGYAFPOWVSDDE-GOSISDBHSA-N 2 0 329.488 3.389 20 0 EGADRP CC[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345206307 456967523 /nfs/dbraw/zinc/96/75/23/456967523.db2.gz PEVHIGZWLNZSIE-QUCCMNQESA-N 2 0 332.488 3.208 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000349670747 457011980 /nfs/dbraw/zinc/01/19/80/457011980.db2.gz VWOJCYBJMCBWOC-SFHVURJKSA-N 2 0 332.488 3.381 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cc2c1C ZINC000349676045 457013254 /nfs/dbraw/zinc/01/32/54/457013254.db2.gz ZWYQOPZLCXTWPM-GOSISDBHSA-N 2 0 329.488 3.111 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(CC(F)(F)F)CC2)CC1 ZINC000341990679 457046052 /nfs/dbraw/zinc/04/60/52/457046052.db2.gz LZOFSONHROINIM-UHFFFAOYSA-N 2 0 335.458 3.067 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]C/C=C\c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000349904313 457101413 /nfs/dbraw/zinc/10/14/13/457101413.db2.gz JHLDZVDOVTXYNO-ILNYKDOHSA-N 2 0 338.442 3.457 20 0 EGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)C[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000354170787 457107141 /nfs/dbraw/zinc/10/71/41/457107141.db2.gz CTGZWRJEGBODTI-ZIFCJYIRSA-N 2 0 348.535 3.001 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000346692766 457114753 /nfs/dbraw/zinc/11/47/53/457114753.db2.gz IUBPIXBJBXETQW-UHFFFAOYSA-N 2 0 348.878 3.060 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC000356698624 457123237 /nfs/dbraw/zinc/12/32/37/457123237.db2.gz OHUCVVUESNZKIU-HXUWFJFHSA-N 2 0 346.515 3.216 20 0 EGADRP FC(F)(F)CCN1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000339498823 457127106 /nfs/dbraw/zinc/12/71/06/457127106.db2.gz VNHUZYYUBFUTLH-UHFFFAOYSA-N 2 0 335.458 3.259 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(OC(F)(F)F)cc3)C[C@@H]21 ZINC000342140137 457131517 /nfs/dbraw/zinc/13/15/17/457131517.db2.gz NWXWWUDIVMZYQA-UHOFOFEASA-N 2 0 344.377 3.023 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]21 ZINC000342141410 457132041 /nfs/dbraw/zinc/13/20/41/457132041.db2.gz POYXPOHXZPTPPZ-JRGCBEDISA-N 2 0 337.467 3.220 20 0 EGADRP C[C@H]1C[C@@H](N(C)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000354400515 457200205 /nfs/dbraw/zinc/20/02/05/457200205.db2.gz PDXRNIUNPRGLOA-FPOVZHCZSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000347077336 457218757 /nfs/dbraw/zinc/21/87/57/457218757.db2.gz VKLPXPXJJSWFSK-UHFFFAOYSA-N 2 0 330.394 3.449 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1OC(C)C ZINC000347100682 457230187 /nfs/dbraw/zinc/23/01/87/457230187.db2.gz LVLQDAHOYBFUQT-SFHVURJKSA-N 2 0 332.488 3.446 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000347219614 457295304 /nfs/dbraw/zinc/29/53/04/457295304.db2.gz SVPQNVQGMGTKEB-UHFFFAOYSA-N 2 0 334.414 3.176 20 0 EGADRP c1nc(-c2ccncc2)sc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357056248 457301027 /nfs/dbraw/zinc/30/10/27/457301027.db2.gz SLEQBIOPGXMKRG-MRXNPFEDSA-N 2 0 328.485 3.027 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000360717871 457327355 /nfs/dbraw/zinc/32/73/55/457327355.db2.gz KDSAZJGEIXQYGR-HOTGVXAUSA-N 2 0 348.560 3.355 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000352140952 457340828 /nfs/dbraw/zinc/34/08/28/457340828.db2.gz PHCJPQFDTUQDDB-MOPGFXCFSA-N 2 0 331.504 3.106 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000352494861 457414002 /nfs/dbraw/zinc/41/40/02/457414002.db2.gz GIEANFYELNXTCD-OAHLLOKOSA-N 2 0 334.851 3.136 20 0 EGADRP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000369838535 457424585 /nfs/dbraw/zinc/42/45/85/457424585.db2.gz WNBFXKQNUVDCFS-OAHLLOKOSA-N 2 0 328.460 3.380 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000385474106 457429118 /nfs/dbraw/zinc/42/91/18/457429118.db2.gz AUVHWJHGZXMHEX-YUMYIRISSA-N 3 0 341.543 3.409 20 0 EGADRP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392260544 457456872 /nfs/dbraw/zinc/45/68/72/457456872.db2.gz GNUKYOQITBCOTK-RDJZCZTQSA-N 2 0 337.508 3.016 20 0 EGADRP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074743 457470160 /nfs/dbraw/zinc/47/01/60/457470160.db2.gz MZLVIWNSFAQBKN-UHFFFAOYSA-N 2 0 343.515 3.304 20 0 EGADRP COc1cc2cc[nH+]c(N[C@H](C)C3CC[NH+](C)CC3)c2cc1OC ZINC000396460588 457481107 /nfs/dbraw/zinc/48/11/07/457481107.db2.gz DWMDCAVQXMENDY-CYBMUJFWSA-N 2 0 329.444 3.394 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000374230713 457535613 /nfs/dbraw/zinc/53/56/13/457535613.db2.gz NPTAQDHHIKGPNM-UXHICEINSA-N 2 0 344.547 3.033 20 0 EGADRP Cc1cccnc1CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000404970075 457550646 /nfs/dbraw/zinc/55/06/46/457550646.db2.gz KROHYBDPQUMFKI-KCZVDYSFSA-N 2 0 335.495 3.433 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352757660 457586113 /nfs/dbraw/zinc/58/61/13/457586113.db2.gz UYTUWACJJDVIDW-UHFFFAOYSA-N 2 0 335.923 3.203 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000370306220 457615312 /nfs/dbraw/zinc/61/53/12/457615312.db2.gz UCXLSFRIRMGLFK-ACRUOGEOSA-N 2 0 330.516 3.346 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)N1CC[NH+](C)CC1 ZINC000361174297 457629011 /nfs/dbraw/zinc/62/90/11/457629011.db2.gz WIGGEQHZDQRVMI-QZTJIDSGSA-N 2 0 338.499 3.035 20 0 EGADRP CCCc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370635196 457687878 /nfs/dbraw/zinc/68/78/78/457687878.db2.gz OCBCIAIJHYWCML-FXAWDEMLSA-N 2 0 329.532 3.458 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000357834586 457705164 /nfs/dbraw/zinc/70/51/64/457705164.db2.gz MBRIFZFGNLDZGO-NQIIRXRSSA-N 3 0 329.532 3.348 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000358026546 457743787 /nfs/dbraw/zinc/74/37/87/457743787.db2.gz QLTPVMDYDQXXMK-XLIONFOSSA-N 2 0 331.504 3.231 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004297 457752709 /nfs/dbraw/zinc/75/27/09/457752709.db2.gz YCDJZFLAIFUYMM-AZUAARDMSA-N 2 0 338.499 3.312 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000433150394 457765337 /nfs/dbraw/zinc/76/53/37/457765337.db2.gz WPCJAKKEEMCLOZ-GOSISDBHSA-N 2 0 349.906 3.207 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000358104801 457788884 /nfs/dbraw/zinc/78/88/84/457788884.db2.gz MYKORJOJNPGISE-WSTZPKSXSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000358104797 457788935 /nfs/dbraw/zinc/78/89/35/457788935.db2.gz MYKORJOJNPGISE-QWFCFKBJSA-N 2 0 349.563 3.266 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2)CC1 ZINC000361610899 457804778 /nfs/dbraw/zinc/80/47/78/457804778.db2.gz PGKOSXSSLOAELQ-UHFFFAOYSA-N 2 0 338.455 3.025 20 0 EGADRP CC(C)OC(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361676811 457818486 /nfs/dbraw/zinc/81/84/86/457818486.db2.gz AUJNJNBZTSZUOP-UXHICEINSA-N 2 0 344.499 3.315 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303401 457856169 /nfs/dbraw/zinc/85/61/69/457856169.db2.gz OJMUYDPMJWAJIP-XMSQKQJNSA-N 2 0 337.511 3.298 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000411346164 457861082 /nfs/dbraw/zinc/86/10/82/457861082.db2.gz IBLWUEWHWNMMMV-IBGZPJMESA-N 2 0 349.494 3.103 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000371325419 457866015 /nfs/dbraw/zinc/86/60/15/457866015.db2.gz FKPKYTUAFGMUFR-NRFANRHFSA-N 3 0 341.543 3.459 20 0 EGADRP CC(CC[NH2+][C@@H](C)C1CCOCC1)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000411471539 457896513 /nfs/dbraw/zinc/89/65/13/457896513.db2.gz LDQDHAAQNQLHJN-ROUUACIJSA-N 2 0 340.552 3.212 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000371437356 457930414 /nfs/dbraw/zinc/93/04/14/457930414.db2.gz DGRRRAPBPAFTHG-KSZLIROESA-N 2 0 329.488 3.237 20 0 EGADRP FC(F)(F)COCc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358327721 457936863 /nfs/dbraw/zinc/93/68/63/457936863.db2.gz KBMAPMXTAQZUSM-IRXDYDNUSA-N 2 0 342.405 3.482 20 0 EGADRP C[C@H]1C[N@H+](CCSC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375599383 457984691 /nfs/dbraw/zinc/98/46/91/457984691.db2.gz QEWIEBPWFMEXND-PKOBYXMFSA-N 2 0 339.593 3.010 20 0 EGADRP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000361973728 457987202 /nfs/dbraw/zinc/98/72/02/457987202.db2.gz YKFTYBVPYUUIAN-SJORKVTESA-N 2 0 327.472 3.304 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cccc(OCC[NH+](C)C)c1 ZINC000361973725 457987259 /nfs/dbraw/zinc/98/72/59/457987259.db2.gz YKFTYBVPYUUIAN-DLBZAZTESA-N 2 0 327.472 3.304 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358426404 457997642 /nfs/dbraw/zinc/99/76/42/457997642.db2.gz MSMHUCYYTAYQDN-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cccc2ncc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)n21 ZINC000375674215 458015210 /nfs/dbraw/zinc/01/52/10/458015210.db2.gz AHVVPMPOFVJCRI-IBGZPJMESA-N 2 0 334.467 3.254 20 0 EGADRP CCCCOCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427677120 458021206 /nfs/dbraw/zinc/02/12/06/458021206.db2.gz FAMFTXDZPGBTSZ-QZTJIDSGSA-N 2 0 326.525 3.014 20 0 EGADRP CC(C)[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411973146 458027193 /nfs/dbraw/zinc/02/71/93/458027193.db2.gz PQYQIIJYWQVDJC-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000434788421 458050371 /nfs/dbraw/zinc/05/03/71/458050371.db2.gz YQKGPISQRYWNAC-PKOBYXMFSA-N 2 0 330.520 3.008 20 0 EGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435372551 458122205 /nfs/dbraw/zinc/12/22/05/458122205.db2.gz RWEQPSVMJHLOIY-SJORKVTESA-N 2 0 347.466 3.103 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435371397 458123016 /nfs/dbraw/zinc/12/30/16/458123016.db2.gz MRIIVZCCEUNAEG-MAUKXSAKSA-N 2 0 325.456 3.316 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435373550 458124066 /nfs/dbraw/zinc/12/40/66/458124066.db2.gz VDKGJKKQLKHELR-FUHWJXTLSA-N 2 0 347.466 3.103 20 0 EGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2ccccc2nc1N1CCCCC1 ZINC000435375219 458124999 /nfs/dbraw/zinc/12/49/99/458124999.db2.gz UCEVOBCVCGTPPT-SJORKVTESA-N 2 0 338.499 3.394 20 0 EGADRP Cc1ccc2ncc(CN(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)n2c1 ZINC000435389083 458134586 /nfs/dbraw/zinc/13/45/86/458134586.db2.gz IPUGSHXVWMDXTD-IBGZPJMESA-N 2 0 349.482 3.182 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000358661326 458134959 /nfs/dbraw/zinc/13/49/59/458134959.db2.gz IBZCLKVIEMOBIS-CALCHBBNSA-N 2 0 331.504 3.083 20 0 EGADRP C[C@@H]1CCCC[C@H]1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435437953 458148136 /nfs/dbraw/zinc/14/81/36/458148136.db2.gz MDSQSTRVAQGNTA-SQNIBIBYSA-N 2 0 330.520 3.191 20 0 EGADRP CCN(CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626061 458176341 /nfs/dbraw/zinc/17/63/41/458176341.db2.gz NIPVQOWIAOPJAO-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412366199 458182382 /nfs/dbraw/zinc/18/23/82/458182382.db2.gz LJXYXSIKCKZXBQ-QGZVFWFLSA-N 2 0 331.504 3.131 20 0 EGADRP Clc1ccc(N2CCC[N@H+](CCn3ccnc3)CC2)cc1Cl ZINC000376146004 458211531 /nfs/dbraw/zinc/21/15/31/458211531.db2.gz AYQHPZHERYTWEM-UHFFFAOYSA-N 2 0 339.270 3.402 20 0 EGADRP CCn1c2ccc(F)cc2nc1NCc1ccc(-n2ccnc2)cc1 ZINC000436021930 458238572 /nfs/dbraw/zinc/23/85/72/458238572.db2.gz KWOQMOCPDSPIRQ-UHFFFAOYSA-N 2 0 335.386 3.415 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN(Cc2ccccc2)C1 ZINC000446890855 458242204 /nfs/dbraw/zinc/24/22/04/458242204.db2.gz QDHBJGMNPGAUBP-RXVVDRJESA-N 2 0 341.543 3.361 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CCc3nc(-c4ccccc4)no3)C2)CC1 ZINC000376384979 458284985 /nfs/dbraw/zinc/28/49/85/458284985.db2.gz KYVGZYBFXSMTBA-UHFFFAOYSA-N 2 0 340.471 3.087 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436308666 458287414 /nfs/dbraw/zinc/28/74/14/458287414.db2.gz MWROVERAYYOKNL-UXHICEINSA-N 2 0 345.462 3.165 20 0 EGADRP COc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc(OC)c1OC ZINC000369704485 458320309 /nfs/dbraw/zinc/32/03/09/458320309.db2.gz PZWBJYCCMPZOKM-UHFFFAOYSA-N 2 0 348.487 3.020 20 0 EGADRP C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000429577207 458347935 /nfs/dbraw/zinc/34/79/35/458347935.db2.gz DZMZNDXODNYXBT-YLJYHZDGSA-N 2 0 343.515 3.019 20 0 EGADRP Cc1cc(F)c(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000459373678 458348218 /nfs/dbraw/zinc/34/82/18/458348218.db2.gz VYUPXWHOLNPZEA-GOSISDBHSA-N 2 0 341.902 3.149 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)cc1F ZINC000447898436 458364177 /nfs/dbraw/zinc/36/41/77/458364177.db2.gz VPPIWBRVDQRRGU-UHFFFAOYSA-N 2 0 338.430 3.363 20 0 EGADRP COC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000459422816 458366159 /nfs/dbraw/zinc/36/61/59/458366159.db2.gz OBQWRAYJLRIMHJ-LJQANCHMSA-N 2 0 329.419 3.167 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459567841 458414609 /nfs/dbraw/zinc/41/46/09/458414609.db2.gz WMGFBDHRPDOODM-LJQANCHMSA-N 2 0 345.531 3.220 20 0 EGADRP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423430722 458431213 /nfs/dbraw/zinc/43/12/13/458431213.db2.gz IGTSMYPYPFSHQW-QILLFSRXSA-N 2 0 349.316 3.284 20 0 EGADRP Fc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000423429448 458431525 /nfs/dbraw/zinc/43/15/25/458431525.db2.gz HBKLNTSAKXOJGD-SXLOBPIMSA-N 2 0 343.421 3.427 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423434838 458432945 /nfs/dbraw/zinc/43/29/45/458432945.db2.gz KNUCWUMCXDPCEM-QZNJRLLKSA-N 3 0 341.543 3.407 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423457300 458435860 /nfs/dbraw/zinc/43/58/60/458435860.db2.gz IFDBHNRRRHOOKF-VXPFSUGTSA-N 3 0 339.527 3.288 20 0 EGADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423486404 458440681 /nfs/dbraw/zinc/44/06/81/458440681.db2.gz SPLNOSDDLJGRIZ-ZBFHGGJFSA-N 2 0 330.476 3.153 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000423485480 458440930 /nfs/dbraw/zinc/44/09/30/458440930.db2.gz RRTVIFSBYQXKBE-OCCSQVGLSA-N 2 0 328.403 3.479 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000423492516 458442740 /nfs/dbraw/zinc/44/27/40/458442740.db2.gz NILXDZDMOCDVSL-GVXVVHGQSA-N 2 0 327.266 3.236 20 0 EGADRP CCOC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCC[C@H]1COCC ZINC000459700038 458451216 /nfs/dbraw/zinc/45/12/16/458451216.db2.gz DICDLHFGAGLAES-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP [NH3+]C1(C[NH2+][C@H]2CCc3ccccc3OC2)C2CC3CC(C2)CC1C3 ZINC000423522014 458451309 /nfs/dbraw/zinc/45/13/09/458451309.db2.gz GYSWNUWOGXGRKO-UWWUERRMSA-N 2 0 326.484 3.123 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423530386 458452667 /nfs/dbraw/zinc/45/26/67/458452667.db2.gz RHOUPEKKYMXHPI-OAHLLOKOSA-N 2 0 332.492 3.353 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000423537651 458454974 /nfs/dbraw/zinc/45/49/74/458454974.db2.gz KLIWKNLKEGHJLU-UHFFFAOYSA-N 2 0 333.907 3.204 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423537631 458455440 /nfs/dbraw/zinc/45/54/40/458455440.db2.gz DJYTVMPTEYGTCL-PCODUJHASA-N 2 0 344.503 3.255 20 0 EGADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423543292 458456467 /nfs/dbraw/zinc/45/64/67/458456467.db2.gz BUGIADSUPPVYAF-RUYXUALKSA-N 2 0 329.532 3.394 20 0 EGADRP CCOc1c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)nn1CC(C)C ZINC000459722413 458457261 /nfs/dbraw/zinc/45/72/61/458457261.db2.gz BHEULKNMBRWKQZ-QGZVFWFLSA-N 2 0 336.524 3.068 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423573758 458457875 /nfs/dbraw/zinc/45/78/75/458457875.db2.gz ZLXDPUBPFAQXCR-INIZCTEOSA-N 2 0 329.488 3.427 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+](C)CC[C@H]([NH3+])C(C)C)n2)cc1F ZINC000430545679 458458473 /nfs/dbraw/zinc/45/84/73/458458473.db2.gz IKXWLMCTAYHFRN-KRWDZBQOSA-N 2 0 348.466 3.422 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459744830 458466164 /nfs/dbraw/zinc/46/61/64/458466164.db2.gz XXVMLXZJMIDLQZ-HXUWFJFHSA-N 2 0 340.515 3.370 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CC[NH2+]CC1 ZINC000423752008 458479064 /nfs/dbraw/zinc/47/90/64/458479064.db2.gz ANJOKHLHRFIQQB-KRWDZBQOSA-N 2 0 343.515 3.289 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000423802852 458487663 /nfs/dbraw/zinc/48/76/63/458487663.db2.gz VQKOQMWOQUWQCF-UHFFFAOYSA-N 2 0 349.563 3.400 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430952090 458509809 /nfs/dbraw/zinc/50/98/09/458509809.db2.gz XSELMVWYNFQPOS-UHFFFAOYSA-N 2 0 344.890 3.410 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1)C1CC1 ZINC000424082717 458554610 /nfs/dbraw/zinc/55/46/10/458554610.db2.gz WQMNSQPDTWJJBR-IBGZPJMESA-N 2 0 349.478 3.201 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424159382 458573528 /nfs/dbraw/zinc/57/35/28/458573528.db2.gz SLPLDTQFONGVEK-MOPGFXCFSA-N 2 0 337.552 3.301 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424169778 458576486 /nfs/dbraw/zinc/57/64/86/458576486.db2.gz HJFUHNIKMKWFHW-CEXWTWQISA-N 2 0 335.536 3.007 20 0 EGADRP CCCc1csc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000494007407 458614876 /nfs/dbraw/zinc/61/48/76/458614876.db2.gz RANLPVWHFUSYGK-HUUCEWRRSA-N 2 0 325.522 3.075 20 0 EGADRP CCOc1cc2[nH+]ccc(N[C@H](C)CC[NH+](C)C)c2cc1OCC ZINC000462382248 458615500 /nfs/dbraw/zinc/61/55/00/458615500.db2.gz XXYWLVOMISCYPJ-CQSZACIVSA-N 2 0 331.460 3.206 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000470261660 458625797 /nfs/dbraw/zinc/62/57/97/458625797.db2.gz UBBLVEWCVYNKRO-HBFSDRIKSA-N 2 0 326.488 3.162 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424446952 458644774 /nfs/dbraw/zinc/64/47/74/458644774.db2.gz TVOLRJXRMSVPBU-UHFFFAOYSA-N 2 0 346.519 3.430 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000463005035 458670648 /nfs/dbraw/zinc/67/06/48/458670648.db2.gz CFTNVSFZSKRWJX-RBUKOAKNSA-N 2 0 334.504 3.309 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cncc(F)c3)cc2)C[C@@H](C)O1 ZINC000494556469 458698423 /nfs/dbraw/zinc/69/84/23/458698423.db2.gz FCOSIELTXDHJCU-HZPDHXFCSA-N 2 0 343.446 3.120 20 0 EGADRP Fc1cc(Cl)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248602 458730457 /nfs/dbraw/zinc/73/04/57/458730457.db2.gz NBBJPGZSQONYLF-QGZVFWFLSA-N 2 0 326.843 3.070 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000503989584 458735811 /nfs/dbraw/zinc/73/58/11/458735811.db2.gz VVAQXQILEFAISP-ZWKOTPCHSA-N 2 0 340.556 3.010 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547503489 458751731 /nfs/dbraw/zinc/75/17/31/458751731.db2.gz KYQBYUAZMFAOSG-WMQCIHAUSA-N 2 0 330.516 3.428 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000439900665 458763888 /nfs/dbraw/zinc/76/38/88/458763888.db2.gz LVDLFUFNNHVURV-IBGZPJMESA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)([NH+](C)C)C1 ZINC000440114708 458782582 /nfs/dbraw/zinc/78/25/82/458782582.db2.gz YYLNYLYZCVBXIY-POAQFYNOSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000472347742 458789520 /nfs/dbraw/zinc/78/95/20/458789520.db2.gz PZAPYKLPJRCYLM-AZUAARDMSA-N 2 0 339.483 3.268 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495351695 458840608 /nfs/dbraw/zinc/84/06/08/458840608.db2.gz HHMIQEGHRHLKGZ-CABCVRRESA-N 2 0 327.513 3.094 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+](CC)CC ZINC000518253821 458852875 /nfs/dbraw/zinc/85/28/75/458852875.db2.gz NCQZXKGKNCFTBE-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474021062 458854596 /nfs/dbraw/zinc/85/45/96/458854596.db2.gz FZDYPOIHVCALFV-HXUWFJFHSA-N 2 0 345.531 3.035 20 0 EGADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000474889236 458905554 /nfs/dbraw/zinc/90/55/54/458905554.db2.gz RSOMRYPZEWVCQB-WOJBJXKFSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccc(F)cc1 ZINC000441258049 458907407 /nfs/dbraw/zinc/90/74/07/458907407.db2.gz SNOKXVANQXIBFQ-NJAFHUGGSA-N 2 0 338.492 3.101 20 0 EGADRP CCc1cccc(Cl)c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000475689511 458958365 /nfs/dbraw/zinc/95/83/65/458958365.db2.gz CRQCAFAPUWLTIP-HNNXBMFYSA-N 2 0 338.923 3.427 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000457490590 458976819 /nfs/dbraw/zinc/97/68/19/458976819.db2.gz ADAYYKSLZDOQJA-UHFFFAOYSA-N 2 0 340.556 3.061 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C1 ZINC000577079783 458977981 /nfs/dbraw/zinc/97/79/81/458977981.db2.gz UVVIFLFIEGTMIL-LPHOPBHVSA-N 2 0 332.419 3.290 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000519640594 458979774 /nfs/dbraw/zinc/97/97/74/458979774.db2.gz CRMIQJYRCCKLJU-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000495873161 458988233 /nfs/dbraw/zinc/98/82/33/458988233.db2.gz GIHLGUFYRPMPQY-DLBZAZTESA-N 2 0 337.508 3.016 20 0 EGADRP C[C@@H]1CC[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)c2sccc21 ZINC000567042668 459038808 /nfs/dbraw/zinc/03/88/08/459038808.db2.gz QAWCBDAMKJESDE-RISCZKNCSA-N 2 0 331.489 3.061 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000567048733 459039793 /nfs/dbraw/zinc/03/97/93/459039793.db2.gz PEYAHZXSLOFYCL-JKSUJKDBSA-N 2 0 326.488 3.441 20 0 EGADRP [NH3+]C1(CNCc2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000520369210 459053333 /nfs/dbraw/zinc/05/33/33/459053333.db2.gz GJUVIXHTDBFZDO-UHFFFAOYSA-N 2 0 345.437 3.048 20 0 EGADRP Cn1cnc2cc(CN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)ccc21 ZINC000577633522 459066719 /nfs/dbraw/zinc/06/67/19/459066719.db2.gz MQSPWHHEJARRDY-IBGZPJMESA-N 2 0 334.467 3.328 20 0 EGADRP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000594515105 459073037 /nfs/dbraw/zinc/07/30/37/459073037.db2.gz QDVFFBRCPIQQHK-KRWDZBQOSA-N 2 0 346.515 3.261 20 0 EGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443058450 459079843 /nfs/dbraw/zinc/07/98/43/459079843.db2.gz AFEQYCUGCOKVGL-DLBZAZTESA-N 2 0 339.483 3.078 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060893 459081830 /nfs/dbraw/zinc/08/18/30/459081830.db2.gz QAVGXAASXAGAMJ-RYUDHWBXSA-N 2 0 344.286 3.381 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000496254243 459126337 /nfs/dbraw/zinc/12/63/37/459126337.db2.gz MDJMDANNZSMECQ-HZPDHXFCSA-N 2 0 344.459 3.260 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000567679766 459143411 /nfs/dbraw/zinc/14/34/11/459143411.db2.gz FJCROXHTXIPVLI-IBGZPJMESA-N 2 0 348.531 3.186 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000567678265 459144103 /nfs/dbraw/zinc/14/41/03/459144103.db2.gz OJFBFACOMRVYNT-ZVDOUQERSA-N 2 0 332.532 3.328 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000567752330 459160872 /nfs/dbraw/zinc/16/08/72/459160872.db2.gz GNZKAWPEJGUUGM-PMACEKPBSA-N 2 0 327.472 3.025 20 0 EGADRP c1cc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000578245811 459170613 /nfs/dbraw/zinc/17/06/13/459170613.db2.gz ZFBFXTZHCNLYHQ-NHCUHLMSSA-N 2 0 336.483 3.146 20 0 EGADRP CN(CC(=O)NC(C)(C)CC[NH+]1CCCCCC1)Cc1ccccc1 ZINC000480067892 459181433 /nfs/dbraw/zinc/18/14/33/459181433.db2.gz CLLJSXFBVRJEOR-UHFFFAOYSA-N 2 0 345.531 3.279 20 0 EGADRP Fc1cc(Br)ccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567870530 459181883 /nfs/dbraw/zinc/18/18/83/459181883.db2.gz FZPMUGRZRVVOIK-ZDUSSCGKSA-N 2 0 341.268 3.410 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087387 459182769 /nfs/dbraw/zinc/18/27/69/459182769.db2.gz BLOKYKWNKTXJGN-WMQCIHAUSA-N 2 0 345.531 3.152 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000578412135 459195695 /nfs/dbraw/zinc/19/56/95/459195695.db2.gz JVHVHGGWJIRDTB-RYUDHWBXSA-N 2 0 337.265 3.336 20 0 EGADRP CC(C)[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000480535960 459203629 /nfs/dbraw/zinc/20/36/29/459203629.db2.gz AWVIRWTZFWWNDP-GHTZIAJQSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724539 459216049 /nfs/dbraw/zinc/21/60/49/459216049.db2.gz VTIAUQCHFMNVMG-IJEWVQPXSA-N 2 0 341.421 3.214 20 0 EGADRP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590786962 459219151 /nfs/dbraw/zinc/21/91/51/459219151.db2.gz OJGXVKMCFXHEJC-SFHVURJKSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000496517545 459224416 /nfs/dbraw/zinc/22/44/16/459224416.db2.gz ZHWQBKHBVWLLTB-RDJZCZTQSA-N 2 0 331.460 3.120 20 0 EGADRP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590818916 459232180 /nfs/dbraw/zinc/23/21/80/459232180.db2.gz IKNJWLBAYHCQQT-HXUWFJFHSA-N 2 0 348.531 3.095 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000496650664 459272454 /nfs/dbraw/zinc/27/24/54/459272454.db2.gz NRBLUTSHPJUCBN-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000590955473 459281310 /nfs/dbraw/zinc/28/13/10/459281310.db2.gz RGRNZBBBKAFIHK-HAGHYFMRSA-N 2 0 348.556 3.397 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCC(C)CC1 ZINC000481975705 459282868 /nfs/dbraw/zinc/28/28/68/459282868.db2.gz WZKCWAKHWNBCHI-MOPGFXCFSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481975707 459283379 /nfs/dbraw/zinc/28/33/79/459283379.db2.gz WZKCWAKHWNBCHI-RBUKOAKNSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496719215 459299558 /nfs/dbraw/zinc/29/95/58/459299558.db2.gz UDPHLCYZIULVMS-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)cc1)C(C)C ZINC000523455776 459305625 /nfs/dbraw/zinc/30/56/25/459305625.db2.gz JUGSOXOIGXHFJS-LJQANCHMSA-N 2 0 345.531 3.377 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC000482978198 459333979 /nfs/dbraw/zinc/33/39/79/459333979.db2.gz MSTRQGRSUDOLBQ-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483201256 459349290 /nfs/dbraw/zinc/34/92/90/459349290.db2.gz PULMMMSZIQIYGQ-LJQANCHMSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496892353 459361200 /nfs/dbraw/zinc/36/12/00/459361200.db2.gz PXPXOXKGHGBHDZ-RDHHWEPZSA-N 2 0 339.524 3.237 20 0 EGADRP CC[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000483681090 459381731 /nfs/dbraw/zinc/38/17/31/459381731.db2.gz NBODMEBYMDKQJX-UZLBHIALSA-N 2 0 334.504 3.483 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000591451733 459383456 /nfs/dbraw/zinc/38/34/56/459383456.db2.gz HJRXRXRYUGKVPV-RBUKOAKNSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Br)c1 ZINC000483817472 459394285 /nfs/dbraw/zinc/39/42/85/459394285.db2.gz KLESMMOBDARPGW-NFAWXSAZSA-N 2 0 341.293 3.289 20 0 EGADRP CC[N@@H+]1C[C@H](C)[C@H](NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000484503841 459416540 /nfs/dbraw/zinc/41/65/40/459416540.db2.gz SWPAVZLSWJWZJZ-JRBPQWBISA-N 2 0 329.532 3.073 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000541348893 459447567 /nfs/dbraw/zinc/44/75/67/459447567.db2.gz JHFWTIWBCOATBW-AZUAARDMSA-N 2 0 347.934 3.428 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1 ZINC000583409058 459533612 /nfs/dbraw/zinc/53/36/12/459533612.db2.gz YAJHBGNOCQBNGS-QGZVFWFLSA-N 2 0 327.472 3.305 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000562316229 459537022 /nfs/dbraw/zinc/53/70/22/459537022.db2.gz KPNNXGKUEFNCOZ-KRWDZBQOSA-N 2 0 326.488 3.314 20 0 EGADRP C[C@@H](Nc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1)C1CCCC1 ZINC000526983352 459570856 /nfs/dbraw/zinc/57/08/56/459570856.db2.gz WVNNBCYQUPKMPB-OAHLLOKOSA-N 2 0 342.487 3.428 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000542671781 459580608 /nfs/dbraw/zinc/58/06/08/459580608.db2.gz VVJMYPJNPYTLKG-OXAFFQKASA-N 2 0 333.564 3.209 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000527087329 459589157 /nfs/dbraw/zinc/58/91/57/459589157.db2.gz QNCNQECQRIKFGV-UHFFFAOYSA-N 2 0 346.519 3.129 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000583814696 459601288 /nfs/dbraw/zinc/60/12/88/459601288.db2.gz IJBUUMXQNUXFAR-LMNJBCLMSA-N 2 0 349.563 3.397 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000573355326 459664426 /nfs/dbraw/zinc/66/44/26/459664426.db2.gz QHMJBCPBWNLQKQ-LLFXLSNSSA-N 2 0 325.431 3.416 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccccc1Br ZINC000543596309 459672474 /nfs/dbraw/zinc/67/24/74/459672474.db2.gz CJTVCJKKRXCUBH-AWEZNQCLSA-N 2 0 343.309 3.458 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527674934 459695267 /nfs/dbraw/zinc/69/52/67/459695267.db2.gz MWTBOBHLOOQAOJ-UXHICEINSA-N 2 0 327.472 3.025 20 0 EGADRP COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000596639260 459709819 /nfs/dbraw/zinc/70/98/19/459709819.db2.gz ORIDZPUATGSUBO-KBPBESRZSA-N 2 0 326.387 3.013 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000501137666 459714384 /nfs/dbraw/zinc/71/43/84/459714384.db2.gz VUVFSHTXTKWFSH-UHFFFAOYSA-N 2 0 329.532 3.282 20 0 EGADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000584411724 459732163 /nfs/dbraw/zinc/73/21/63/459732163.db2.gz PUXPWCVPGZOYBV-QGZVFWFLSA-N 2 0 337.467 3.353 20 0 EGADRP CC[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000527858302 459760511 /nfs/dbraw/zinc/76/05/11/459760511.db2.gz JMHZOZHUCMJOQG-NRFANRHFSA-N 2 0 331.548 3.261 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000544897501 459790330 /nfs/dbraw/zinc/79/03/30/459790330.db2.gz MVIQUNMFNUKNQP-SFHVURJKSA-N 3 0 347.547 3.400 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000566112103 459807113 /nfs/dbraw/zinc/80/71/13/459807113.db2.gz JYQSLMGCCVOZKV-VAMGGRTRSA-N 2 0 342.483 3.042 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000566166154 459818218 /nfs/dbraw/zinc/81/82/18/459818218.db2.gz RWODISVTEUJYKA-NRFANRHFSA-N 2 0 349.478 3.498 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000545309530 459823259 /nfs/dbraw/zinc/82/32/59/459823259.db2.gz NQEYLFYPWVXODP-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000597047052 459824096 /nfs/dbraw/zinc/82/40/96/459824096.db2.gz NIQVHYBGAKNYEQ-HNNXBMFYSA-N 2 0 336.451 3.357 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000566230075 459827068 /nfs/dbraw/zinc/82/70/68/459827068.db2.gz FPZYQYXKJXKRQV-HZPDHXFCSA-N 2 0 328.504 3.444 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000566325554 459843832 /nfs/dbraw/zinc/84/38/32/459843832.db2.gz QELUVRAWMXQAME-HOTGVXAUSA-N 2 0 336.442 3.444 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000574804182 459874584 /nfs/dbraw/zinc/87/45/84/459874584.db2.gz SCMLCDUCVDJECW-CYBMUJFWSA-N 2 0 325.884 3.235 20 0 EGADRP CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029813 459900992 /nfs/dbraw/zinc/90/09/92/459900992.db2.gz GUNOTCYJRHIFIB-UHFFFAOYSA-N 2 0 344.455 3.458 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3cc(C)c(C)cc3C)C2)CC1 ZINC000602465448 459950572 /nfs/dbraw/zinc/95/05/72/459950572.db2.gz QXZXAMBBMONQCN-ICTHTSFCSA-N 2 0 341.543 3.337 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642569 459994655 /nfs/dbraw/zinc/99/46/55/459994655.db2.gz QLDMTMTVRGIBCV-IBGZPJMESA-N 2 0 345.531 3.137 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000576801371 460214991 /nfs/dbraw/zinc/21/49/91/460214991.db2.gz YQVPEEFMZVDSRA-LBPRGKRZSA-N 2 0 338.293 3.369 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000599321380 460228079 /nfs/dbraw/zinc/22/80/79/460228079.db2.gz BVOAKULWEKOGLQ-HXUWFJFHSA-N 2 0 343.515 3.163 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000631482781 460402401 /nfs/dbraw/zinc/40/24/01/460402401.db2.gz DRLWMHYFBIWTKX-UHFFFAOYSA-N 2 0 344.503 3.230 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631569614 460448379 /nfs/dbraw/zinc/44/83/79/460448379.db2.gz LNEWDLVRDOBUPT-ZWKOTPCHSA-N 2 0 342.531 3.105 20 0 EGADRP CC(C)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000634678264 460472114 /nfs/dbraw/zinc/47/21/14/460472114.db2.gz NPDCHVOBGLYQMS-GOSISDBHSA-N 2 0 339.474 3.278 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3csc(C(F)(F)F)c3)C2)CC1 ZINC000623416087 460536481 /nfs/dbraw/zinc/53/64/81/460536481.db2.gz IHHBZWZWLRWWNN-CYBMUJFWSA-N 2 0 347.450 3.025 20 0 EGADRP Cc1cccc([C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000623893586 460764718 /nfs/dbraw/zinc/76/47/18/460764718.db2.gz WGSVVURVSWIIQQ-TZIWHRDSSA-N 2 0 329.532 3.450 20 0 EGADRP CCO[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000607153862 460798715 /nfs/dbraw/zinc/79/87/15/460798715.db2.gz CEQXIKLOXRKGBV-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000629537658 460799648 /nfs/dbraw/zinc/79/96/48/460799648.db2.gz KKUQRDNCGKFVAI-QUCCMNQESA-N 2 0 331.504 3.232 20 0 EGADRP COc1cccc(CCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629561888 460809774 /nfs/dbraw/zinc/80/97/74/460809774.db2.gz LDKWCYYYAMWCMM-HOCLYGCPSA-N 2 0 330.394 3.087 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000629564003 460811005 /nfs/dbraw/zinc/81/10/05/460811005.db2.gz JANUFPWVOLUCGT-YADHBBJMSA-N 2 0 338.495 3.059 20 0 EGADRP C[C@@H](CC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000629567644 460813182 /nfs/dbraw/zinc/81/31/82/460813182.db2.gz ZILHDQIGTQKXIY-YOEHRIQHSA-N 2 0 344.421 3.245 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1C(F)(F)F ZINC000629656381 460851510 /nfs/dbraw/zinc/85/15/10/460851510.db2.gz NYPZQNGLRUBYRH-CVEARBPZSA-N 2 0 342.405 3.013 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000624121239 460869590 /nfs/dbraw/zinc/86/95/90/460869590.db2.gz QXXAHDOEVACIKJ-BQJIDLTASA-N 2 0 341.499 3.141 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624121459 460869954 /nfs/dbraw/zinc/86/99/54/460869954.db2.gz XBBROBIUNIFHKV-HZPDHXFCSA-N 2 0 344.503 3.353 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1F ZINC000629708695 460880660 /nfs/dbraw/zinc/88/06/60/460880660.db2.gz JXYCRROWWXMUJI-UHFFFAOYSA-N 3 0 341.474 3.477 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000635726383 460899263 /nfs/dbraw/zinc/89/92/63/460899263.db2.gz BFFCVHGECZSKPZ-AFMYVXGZSA-N 2 0 347.547 3.163 20 0 EGADRP CCOc1cncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000621327320 460989637 /nfs/dbraw/zinc/98/96/37/460989637.db2.gz JSOAKLKDQUOKTG-UHFFFAOYSA-N 2 0 325.456 3.366 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CCC2 ZINC000602020345 460992090 /nfs/dbraw/zinc/99/20/90/460992090.db2.gz JYGMWBXLTVZKKX-RBSFLKMASA-N 2 0 334.460 3.249 20 0 EGADRP CCOc1cncc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621343650 460998822 /nfs/dbraw/zinc/99/88/22/460998822.db2.gz MFLRFHCUNMKJCC-XLIONFOSSA-N 2 0 339.483 3.481 20 0 EGADRP Cc1ccc([C@H](C)C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628278839 461070231 /nfs/dbraw/zinc/07/02/31/461070231.db2.gz JRMDRSXIPZGVDY-NQIIRXRSSA-N 2 0 329.532 3.199 20 0 EGADRP c1ccc2c(c1)COC21CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652338442 461138575 /nfs/dbraw/zinc/13/85/75/461138575.db2.gz CHMIDVCBRKDFEU-UHFFFAOYSA-N 2 0 334.463 3.354 20 0 EGADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349201 461142144 /nfs/dbraw/zinc/14/21/44/461142144.db2.gz FJXFCGQNJPOXMO-UGUYLWEFSA-N 2 0 335.492 3.251 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000652350134 461144197 /nfs/dbraw/zinc/14/41/97/461144197.db2.gz HSNFQDSMPJNIJZ-QOJCHSLYSA-N 2 0 332.463 3.421 20 0 EGADRP CC(C)c1ccc(OC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662251505 461144420 /nfs/dbraw/zinc/14/44/20/461144420.db2.gz DLMVAYGDZNRIJR-HXUWFJFHSA-N 2 0 344.499 3.174 20 0 EGADRP Cc1cccc2[nH]c(C[N@@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc21 ZINC000668161995 461147792 /nfs/dbraw/zinc/14/77/92/461147792.db2.gz LGGSSDWRALKBMY-LJQANCHMSA-N 2 0 340.515 3.077 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169744 461154047 /nfs/dbraw/zinc/15/40/47/461154047.db2.gz YTFOJPQHLNBQNZ-PXNSSMCTSA-N 2 0 346.515 3.264 20 0 EGADRP Cn1cncc1CCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662269980 461154736 /nfs/dbraw/zinc/15/47/36/461154736.db2.gz FVFFDOKJCSJIBL-PZJWPPBQSA-N 2 0 340.515 3.025 20 0 EGADRP Fc1ccc(SCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000662275129 461161385 /nfs/dbraw/zinc/16/13/85/461161385.db2.gz SLEJJQKEMPHAOY-KBPBESRZSA-N 2 0 326.456 3.378 20 0 EGADRP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662312375 461184485 /nfs/dbraw/zinc/18/44/85/461184485.db2.gz BEUUYYKBUDSHKG-QFUCXCTJSA-N 2 0 345.531 3.339 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662508925 461276099 /nfs/dbraw/zinc/27/60/99/461276099.db2.gz HZPDOIABPNCJMB-UHFFFAOYSA-N 2 0 329.469 3.016 20 0 EGADRP CC(C)O[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](OC(C)C)C2)C1 ZINC000649702669 461289416 /nfs/dbraw/zinc/28/94/16/461289416.db2.gz KRDANZDJQNBAJA-BGEOSOQGSA-N 2 0 338.536 3.321 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662675095 461343307 /nfs/dbraw/zinc/34/33/07/461343307.db2.gz JIAPUYLJZNSBSN-SFHVURJKSA-N 2 0 329.488 3.245 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638312976 461360092 /nfs/dbraw/zinc/36/00/92/461360092.db2.gz LVVWLVXQKWQFGU-LPHOPBHVSA-N 2 0 331.504 3.065 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C[C@@H]1C ZINC000662743199 461364405 /nfs/dbraw/zinc/36/44/05/461364405.db2.gz LAKIGYAPAQFLAO-IPELMVKDSA-N 2 0 343.515 3.010 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nsc4ccccc43)C2)C1 ZINC000641818411 461387614 /nfs/dbraw/zinc/38/76/14/461387614.db2.gz DQJFJUWCGWHNEK-CKEIUWERSA-N 2 0 331.485 3.015 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000638454663 461434902 /nfs/dbraw/zinc/43/49/02/461434902.db2.gz ZVJQLPAHBHUIBH-YJBOKZPZSA-N 2 0 334.529 3.391 20 0 EGADRP c1ccc([C@@H]2C[C@H](N[C@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638565838 461487813 /nfs/dbraw/zinc/48/78/13/461487813.db2.gz XWFOBYHYTLFHIN-LQWHRVPQSA-N 2 0 325.500 3.181 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1C ZINC000631039682 461492108 /nfs/dbraw/zinc/49/21/08/461492108.db2.gz BGPSSMSMZZOXGC-BQYQJAHWSA-N 2 0 329.532 3.242 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653112191 461506311 /nfs/dbraw/zinc/50/63/11/461506311.db2.gz PNNISFVBSJCKAZ-GOSISDBHSA-N 2 0 329.488 3.043 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000653119552 461510254 /nfs/dbraw/zinc/51/02/54/461510254.db2.gz NYRCRKAKTBLNNX-PKOBYXMFSA-N 2 0 345.531 3.402 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000631062763 461515509 /nfs/dbraw/zinc/51/55/09/461515509.db2.gz AUKVJDVIMQPLRB-MJRGOJFPSA-N 2 0 329.532 3.098 20 0 EGADRP O=c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c[nH]1 ZINC000631070852 461520603 /nfs/dbraw/zinc/52/06/03/461520603.db2.gz FXECXLYUMYFDQR-UHFFFAOYSA-N 2 0 325.456 3.453 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1C ZINC000659983655 461529927 /nfs/dbraw/zinc/52/99/27/461529927.db2.gz RXHRTLHAVVTBIR-KSZLIROESA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631090066 461539646 /nfs/dbraw/zinc/53/96/46/461539646.db2.gz HAXTXJNSAKALBJ-HZPDHXFCSA-N 2 0 325.456 3.033 20 0 EGADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660009924 461543770 /nfs/dbraw/zinc/54/37/70/461543770.db2.gz CZFQVRYJRGRHEP-XRXFAXGQSA-N 2 0 328.500 3.276 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)s2)cn1 ZINC000663343778 461570688 /nfs/dbraw/zinc/57/06/88/461570688.db2.gz FEWUDOWJIHFOID-MRXNPFEDSA-N 2 0 344.528 3.360 20 0 EGADRP CC[C@@H](CSc1ccccc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638787661 461577708 /nfs/dbraw/zinc/57/77/08/461577708.db2.gz JEMBTDIXLNCQII-INIZCTEOSA-N 2 0 336.545 3.382 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1n1ccnc1 ZINC000660112295 461585650 /nfs/dbraw/zinc/58/56/50/461585650.db2.gz JOKHCUQDQFNHME-KZNAEPCWSA-N 2 0 346.519 3.051 20 0 EGADRP Cc1cc([C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C2CC2)ccc1F ZINC000638804435 461588173 /nfs/dbraw/zinc/58/81/73/461588173.db2.gz UZDHVPMPYIHDOR-LJQANCHMSA-N 2 0 334.479 3.410 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)[C@@H](C)[C@H]2C)cc1)C(C)C ZINC000650149803 461600831 /nfs/dbraw/zinc/60/08/31/461600831.db2.gz KKPSRRILQDWPRG-FGTMMUONSA-N 2 0 345.531 3.470 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000631194742 461634338 /nfs/dbraw/zinc/63/43/38/461634338.db2.gz PBSFBPXRINPJRI-HOJAQTOUSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1Br ZINC000656197339 461642578 /nfs/dbraw/zinc/64/25/78/461642578.db2.gz ZXOHZDXWQPAZRC-JHJVBQTASA-N 2 0 327.266 3.076 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000656197859 461642697 /nfs/dbraw/zinc/64/26/97/461642697.db2.gz CBJUDXRGVCJPQN-UPJWGTAASA-N 2 0 328.287 3.432 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000656201352 461645874 /nfs/dbraw/zinc/64/58/74/461645874.db2.gz WHCQBUAZJGUHKN-RBOXIYTFSA-N 2 0 331.287 3.268 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000663470655 461660033 /nfs/dbraw/zinc/66/00/33/461660033.db2.gz VZYIDHJHEKQCAI-WBVHZDCISA-N 2 0 341.499 3.344 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000638966522 461660286 /nfs/dbraw/zinc/66/02/86/461660286.db2.gz CFFPZEUVOZASBL-RUCARUNLSA-N 2 0 331.504 3.166 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660244301 461661445 /nfs/dbraw/zinc/66/14/45/461661445.db2.gz PFZMTFZNFLLAGK-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP COC[C@H](C[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)OC ZINC000638973283 461663774 /nfs/dbraw/zinc/66/37/74/461663774.db2.gz YXWORIWQCWRBJI-FPOVZHCZSA-N 2 0 348.531 3.176 20 0 EGADRP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669418372 461668458 /nfs/dbraw/zinc/66/84/58/461668458.db2.gz JWZNZRATMZKQDY-ZYSHUDEJSA-N 2 0 347.572 3.388 20 0 EGADRP CCC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000647484443 461731867 /nfs/dbraw/zinc/73/18/67/461731867.db2.gz KRISAAQDQFCRBD-UHFFFAOYSA-N 3 0 345.531 3.125 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455432 461732632 /nfs/dbraw/zinc/73/26/32/461732632.db2.gz HKHRBIYNBLRKOX-DZGCQCFKSA-N 2 0 329.410 3.391 20 0 EGADRP O=C1[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCN1C1CCCCC1 ZINC000643467624 461736857 /nfs/dbraw/zinc/73/68/57/461736857.db2.gz DMUSXLYHXJOBRL-SXLOBPIMSA-N 2 0 341.499 3.003 20 0 EGADRP c1ccc2c(c1)onc2CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000653587108 461742450 /nfs/dbraw/zinc/74/24/50/461742450.db2.gz PPMWFIGDUMEGLF-BEFAXECRSA-N 2 0 325.456 3.319 20 0 EGADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000666664794 461747197 /nfs/dbraw/zinc/74/71/97/461747197.db2.gz MSFJBSUMXJLFRN-DOTOQJQBSA-N 2 0 345.491 3.053 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521974 461752310 /nfs/dbraw/zinc/75/23/10/461752310.db2.gz GAEXFMXHHLARRY-SMDDNHRTSA-N 2 0 329.257 3.251 20 0 EGADRP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]C[C@@H](C)[NH3+])nc1 ZINC000643527898 461752122 /nfs/dbraw/zinc/75/21/22/461752122.db2.gz UTPBEUMOTFJXCO-AUUYWEPGSA-N 2 0 331.891 3.388 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(C)c1 ZINC000643523443 461753095 /nfs/dbraw/zinc/75/30/95/461753095.db2.gz JCKYISMEELRXMF-INIZCTEOSA-N 2 0 337.467 3.414 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCCO1 ZINC000643535967 461756611 /nfs/dbraw/zinc/75/66/11/461756611.db2.gz LODDGQCHACEIPY-KSZLIROESA-N 2 0 334.891 3.162 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536599 461756901 /nfs/dbraw/zinc/75/69/01/461756901.db2.gz VIMIIDFTSSQOTF-ZIAGYGMSSA-N 2 0 339.252 3.307 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536446 461756945 /nfs/dbraw/zinc/75/69/45/461756945.db2.gz QVVWPHOFLVZCPJ-XHDPSFHLSA-N 2 0 341.268 3.251 20 0 EGADRP C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643549063 461761345 /nfs/dbraw/zinc/76/13/45/461761345.db2.gz ZSLWGAUDZXKPDQ-DFQSSKMNSA-N 2 0 327.516 3.161 20 0 EGADRP COc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OC1CCCC1 ZINC000647548709 461761346 /nfs/dbraw/zinc/76/13/46/461761346.db2.gz QRIYCPVAHKHMJN-KBAYOESNSA-N 2 0 344.499 3.494 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc(F)c3N)cc2)CC1 ZINC000639147189 461762061 /nfs/dbraw/zinc/76/20/61/461762061.db2.gz QFNDLXQDQIKDBS-UHFFFAOYSA-N 2 0 343.446 3.171 20 0 EGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000653616617 461762588 /nfs/dbraw/zinc/76/25/88/461762588.db2.gz QRFBRQNLIQSLPP-APWZRJJASA-N 2 0 344.503 3.231 20 0 EGADRP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647550291 461763304 /nfs/dbraw/zinc/76/33/04/461763304.db2.gz JTCJVHQLUMRYQQ-VQHPVUNQSA-N 2 0 333.907 3.287 20 0 EGADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647551136 461763311 /nfs/dbraw/zinc/76/33/11/461763311.db2.gz ZPWYLZNODVVKIQ-CKEIUWERSA-N 2 0 349.316 3.458 20 0 EGADRP c1cnn(C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c1 ZINC000656502191 461769484 /nfs/dbraw/zinc/76/94/84/461769484.db2.gz JKDSOQSYRABVOD-OAQYLSRUSA-N 2 0 347.466 3.278 20 0 EGADRP Fc1cc2c(c(F)c1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000656539736 461778821 /nfs/dbraw/zinc/77/88/21/461778821.db2.gz PGIKNMAAKIIVLD-MRXNPFEDSA-N 2 0 331.366 3.052 20 0 EGADRP CC[N@H+](Cc1cnc(CCOC)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000639172467 461780623 /nfs/dbraw/zinc/78/06/23/461780623.db2.gz LXZNMCYCUCKONO-UHFFFAOYSA-N 2 0 347.528 3.416 20 0 EGADRP C(=C\C[N@@H+]1CC[C@@H](c2ccncc2)C1)\C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653681284 461806227 /nfs/dbraw/zinc/80/62/27/461806227.db2.gz LCYZHJDXGVUJNL-LJLUTMTPSA-N 2 0 348.494 3.312 20 0 EGADRP CC[C@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)C(=O)NC ZINC000639241131 461821798 /nfs/dbraw/zinc/82/17/98/461821798.db2.gz HWBBTWOHQIHYGO-GHTZIAJQSA-N 2 0 345.531 3.039 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(O)c(=O)c1 ZINC000663830411 461828406 /nfs/dbraw/zinc/82/84/06/461828406.db2.gz KWVYDJPMBHJLBM-GOSISDBHSA-N 2 0 344.499 3.040 20 0 EGADRP Cc1ccc(CC[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000639265373 461834142 /nfs/dbraw/zinc/83/41/42/461834142.db2.gz KFJPRRCKPAPAOC-UHFFFAOYSA-N 2 0 338.495 3.154 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647788201 461835352 /nfs/dbraw/zinc/83/53/52/461835352.db2.gz DOUASGIAPFBQTJ-KZNAEPCWSA-N 2 0 332.488 3.352 20 0 EGADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000647792077 461837205 /nfs/dbraw/zinc/83/72/05/461837205.db2.gz SHIYBIDONHPQKT-HZSPNIEDSA-N 2 0 341.268 3.108 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccn1 ZINC000647793652 461837874 /nfs/dbraw/zinc/83/78/74/461837874.db2.gz CQGRSLLAAVOQKG-WOYCLPQFSA-N 2 0 337.467 3.157 20 0 EGADRP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647792902 461838579 /nfs/dbraw/zinc/83/85/79/461838579.db2.gz DPRWISDFZKHSDJ-JCHJZTRSSA-N 2 0 331.504 3.373 20 0 EGADRP c1cc(OC2CCCCC2)ncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793318 461838674 /nfs/dbraw/zinc/83/86/74/461838674.db2.gz TUVYIVJDQANQMG-RCCFBDPRSA-N 2 0 329.488 3.271 20 0 EGADRP c1ccc(COc2cnccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647796591 461840314 /nfs/dbraw/zinc/84/03/14/461840314.db2.gz FXHYSRPRQWIBEJ-YSIASYRMSA-N 2 0 337.467 3.138 20 0 EGADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647797063 461840399 /nfs/dbraw/zinc/84/03/99/461840399.db2.gz WQZJDUMBSAJFDN-ONHHBLEESA-N 2 0 336.426 3.242 20 0 EGADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798939 461841065 /nfs/dbraw/zinc/84/10/65/461841065.db2.gz ZEVJVXTWWQCUJR-GVDBMIGSSA-N 2 0 346.544 3.032 20 0 EGADRP CC(C)O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000647911723 461882694 /nfs/dbraw/zinc/88/26/94/461882694.db2.gz IGZVQYAJMKSBDV-GHTZIAJQSA-N 2 0 346.515 3.243 20 0 EGADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783632 461891949 /nfs/dbraw/zinc/89/19/49/461891949.db2.gz RNUILXGWENHWJL-CQSZACIVSA-N 2 0 327.394 3.312 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784871 461893385 /nfs/dbraw/zinc/89/33/85/461893385.db2.gz DLSIPRJHTLBJIV-GOSISDBHSA-N 2 0 332.536 3.467 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785162 461895020 /nfs/dbraw/zinc/89/50/20/461895020.db2.gz JVVWROVMEKLTIU-IBGZPJMESA-N 2 0 338.499 3.392 20 0 EGADRP c1csc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785917 461895576 /nfs/dbraw/zinc/89/55/76/461895576.db2.gz NEVJMZMYKQHLPA-OAHLLOKOSA-N 2 0 330.501 3.350 20 0 EGADRP Clc1ccc2nc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000656786247 461897167 /nfs/dbraw/zinc/89/71/67/461897167.db2.gz QVLDPJLGAFLPDH-OAHLLOKOSA-N 2 0 332.879 3.199 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000650706815 461898836 /nfs/dbraw/zinc/89/88/36/461898836.db2.gz SXMNVZVPWDEKHM-UXLLHSPISA-N 2 0 340.414 3.006 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660655093 461905454 /nfs/dbraw/zinc/90/54/54/461905454.db2.gz KKRKJHYYSJJZQK-FXAWDEMLSA-N 2 0 329.488 3.048 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000660658652 461910412 /nfs/dbraw/zinc/91/04/12/461910412.db2.gz FZNWSJQFAMBFPS-GOSISDBHSA-N 2 0 335.879 3.086 20 0 EGADRP Fc1cccc(N2CCCN(CCC[NH+]3CCCCC3)CC2)c1F ZINC000660665984 461914678 /nfs/dbraw/zinc/91/46/78/461914678.db2.gz WUATYGQZOGLEOJ-UHFFFAOYSA-N 2 0 337.458 3.353 20 0 EGADRP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000667030335 461920162 /nfs/dbraw/zinc/92/01/62/461920162.db2.gz GBMGLYAMDIIPNV-XSLAGTTESA-N 2 0 334.508 3.024 20 0 EGADRP c1ccc2c(c1)CCN2C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647990011 461926670 /nfs/dbraw/zinc/92/66/70/461926670.db2.gz QJBBQQADWNOCLN-UHFFFAOYSA-N 2 0 327.516 3.293 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OCc2nccn2C)cc1 ZINC000650763948 461941497 /nfs/dbraw/zinc/94/14/97/461941497.db2.gz MQICBTIAHFZZKK-INIZCTEOSA-N 2 0 342.487 3.039 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)ccc1OC(F)F ZINC000650763985 461942614 /nfs/dbraw/zinc/94/26/14/461942614.db2.gz NOBKFCRXXNHCGG-GFCCVEGCSA-N 2 0 328.403 3.337 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1ccc(-c3ccccc3)o1)CCO2 ZINC000648071567 461968826 /nfs/dbraw/zinc/96/88/26/461968826.db2.gz IUKORILWDFAGLY-UHFFFAOYSA-N 2 0 326.440 3.243 20 0 EGADRP C[C@H]1OCC[C@@H]1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000639656613 462042959 /nfs/dbraw/zinc/04/29/59/462042959.db2.gz SXFWBTQDACEZBG-UYAOXDASSA-N 2 0 328.500 3.400 20 0 EGADRP c1nc2n(c1C[NH2+]Cc1cccc(C[NH+]3CCCCCC3)c1)CCC2 ZINC000657338573 462058537 /nfs/dbraw/zinc/05/85/37/462058537.db2.gz QGXACYLPQRIXHB-UHFFFAOYSA-N 2 0 338.499 3.495 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000657358521 462070049 /nfs/dbraw/zinc/07/00/49/462070049.db2.gz FFOJZPMPVMDDLZ-LJQANCHMSA-N 2 0 345.531 3.042 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)c1 ZINC000657398869 462096236 /nfs/dbraw/zinc/09/62/36/462096236.db2.gz DQUWHFMJZOHPAH-RTWAWAEBSA-N 2 0 346.515 3.251 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000648438595 462120042 /nfs/dbraw/zinc/12/00/42/462120042.db2.gz MSKGNMVIXWMZJV-PMACEKPBSA-N 2 0 346.515 3.454 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000639906959 462163630 /nfs/dbraw/zinc/16/36/30/462163630.db2.gz YHWQPDFAHXCGQZ-XKQJLSEDSA-N 2 0 326.843 3.383 20 0 EGADRP C[C@@H]1C[C@H](N(C)Cc2cnc3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667617893 462174673 /nfs/dbraw/zinc/17/46/73/462174673.db2.gz DOIQATAXPJHVOO-IEBWSBKVSA-N 2 0 338.499 3.314 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@@H]1C ZINC000667664832 462199854 /nfs/dbraw/zinc/19/98/54/462199854.db2.gz UENOTVZBGOTSHP-XKGZKEIXSA-N 2 0 332.488 3.159 20 0 EGADRP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000657611990 462204340 /nfs/dbraw/zinc/20/43/40/462204340.db2.gz HNSCZALEVPBWPM-UHFFFAOYSA-N 2 0 341.503 3.035 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681794 462210829 /nfs/dbraw/zinc/21/08/29/462210829.db2.gz RNSDIWLAWNKJDE-GOSISDBHSA-N 2 0 329.488 3.409 20 0 EGADRP Cc1[nH]c2ncnc(NCCc3nc4ccc(F)cc4n3C)c2c1C ZINC000645175096 462216691 /nfs/dbraw/zinc/21/66/91/462216691.db2.gz RRCZLAAFQAQVTI-UHFFFAOYSA-N 2 0 338.390 3.255 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000667705532 462224470 /nfs/dbraw/zinc/22/44/70/462224470.db2.gz FXSOXHGSCSHNHV-HQRMLTQVSA-N 2 0 332.488 3.016 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cc[nH]c(=O)c1 ZINC000645191372 462226581 /nfs/dbraw/zinc/22/65/81/462226581.db2.gz VTKWWYOGTQFTAE-INIZCTEOSA-N 2 0 341.455 3.113 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000667730889 462236165 /nfs/dbraw/zinc/23/61/65/462236165.db2.gz FGICGEYIMXHITG-UHFFFAOYSA-N 2 0 344.503 3.265 20 0 EGADRP Clc1ccc2nc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cn2c1 ZINC000657812450 462279302 /nfs/dbraw/zinc/27/93/02/462279302.db2.gz CHXVPEVSACXXCE-UHFFFAOYSA-N 2 0 332.879 3.199 20 0 EGADRP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000651632151 462283892 /nfs/dbraw/zinc/28/38/92/462283892.db2.gz GEBGDPFGNQZLNN-UHFFFAOYSA-N 2 0 326.488 3.263 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657833447 462287911 /nfs/dbraw/zinc/28/79/11/462287911.db2.gz AIVIDASUYRUZHJ-INIZCTEOSA-N 2 0 346.544 3.365 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCCn4nccc43)CC2)c1 ZINC000657860123 462300646 /nfs/dbraw/zinc/30/06/46/462300646.db2.gz BCOOVLAZLHDQIO-QGZVFWFLSA-N 2 0 330.501 3.281 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2ccncc2s1 ZINC000657869869 462302721 /nfs/dbraw/zinc/30/27/21/462302721.db2.gz AZADQXBFRCRQDH-HNNXBMFYSA-N 2 0 346.544 3.221 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccncc2s1 ZINC000657879451 462305469 /nfs/dbraw/zinc/30/54/69/462305469.db2.gz OIYAUPIIKLRGPR-HOCLYGCPSA-N 2 0 344.528 3.115 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651705452 462310054 /nfs/dbraw/zinc/31/00/54/462310054.db2.gz SUZQMLDMZKDCFX-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP COC(C)(C)[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645429732 462322440 /nfs/dbraw/zinc/32/24/40/462322440.db2.gz NZFVGUWRIKNHJO-KRWDZBQOSA-N 2 0 334.504 3.107 20 0 EGADRP c1ccc([C@H]2C[C@H](NCc3cccnc3N3CCCC3)CC[NH2+]2)cc1 ZINC000665236112 462363213 /nfs/dbraw/zinc/36/32/13/462363213.db2.gz HMSRBBNLVRJYPH-WOJBJXKFSA-N 2 0 336.483 3.265 20 0 EGADRP [NH3+][C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000665253438 462370281 /nfs/dbraw/zinc/37/02/81/462370281.db2.gz QQXNTVAUPLESNC-ZNYHDOEXSA-N 2 0 343.421 3.145 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141005 462447435 /nfs/dbraw/zinc/44/74/35/462447435.db2.gz CCXKGOOEPXSYSK-HOCLYGCPSA-N 2 0 336.476 3.095 20 0 EGADRP CCC(CC)(CNC(=O)CC1([NH3+])CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000645964255 462480524 /nfs/dbraw/zinc/48/05/24/462480524.db2.gz YJYWOZHLVBUZKQ-INIZCTEOSA-N 2 0 331.504 3.284 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2C)[C@@H](C)C1 ZINC000658352312 462487543 /nfs/dbraw/zinc/48/75/43/462487543.db2.gz HWWIWAKZHZLUIX-LPHOPBHVSA-N 2 0 334.504 3.230 20 0 EGADRP Cc1cc(C)n(CC[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000649416793 462503217 /nfs/dbraw/zinc/50/32/17/462503217.db2.gz LYTWPGCMDQMACG-LEWJYISDSA-N 2 0 340.515 3.172 20 0 EGADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000646052027 462504462 /nfs/dbraw/zinc/50/44/62/462504462.db2.gz XOVGSRUOASCFFC-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103429 462518622 /nfs/dbraw/zinc/51/86/22/462518622.db2.gz FVZQECVOWDOYCU-AWEZNQCLSA-N 2 0 340.414 3.146 20 0 EGADRP CN(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298478524 517913989 /nfs/dbraw/zinc/91/39/89/517913989.db2.gz PICJSMORYGBJAT-HXUWFJFHSA-N 2 0 330.520 3.151 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000185239140 534912118 /nfs/dbraw/zinc/91/21/18/534912118.db2.gz UEMUEODOYSPIQE-RBUKOAKNSA-N 2 0 331.504 3.480 20 0 EGADRP CCCc1cccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000187127158 528635986 /nfs/dbraw/zinc/63/59/86/528635986.db2.gz GLZRJBJIXAIZOB-UHFFFAOYSA-N 2 0 338.499 3.076 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000338096156 535524720 /nfs/dbraw/zinc/52/47/20/535524720.db2.gz RFJMSOAFINMCNZ-IBGZPJMESA-N 2 0 343.515 3.134 20 0 EGADRP CCn1nccc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350552743 535867012 /nfs/dbraw/zinc/86/70/12/535867012.db2.gz FABVUMSYAFPERB-AZUAARDMSA-N 2 0 326.488 3.075 20 0 EGADRP COCCCOc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000347033736 536626973 /nfs/dbraw/zinc/62/69/73/536626973.db2.gz BXYKSXSKDOKWEK-HXUWFJFHSA-N 2 0 332.488 3.066 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000187384113 536777499 /nfs/dbraw/zinc/77/74/99/536777499.db2.gz FWDHDUPNXGUBDT-SFHVURJKSA-N 2 0 326.525 3.014 20 0 EGADRP COc1ccc(Br)cc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000089520238 546645103 /nfs/dbraw/zinc/64/51/03/546645103.db2.gz OYNDXLVUGRYOMM-LBPRGKRZSA-N 2 0 341.293 3.278 20 0 EGADRP C[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC000090234842 546653459 /nfs/dbraw/zinc/65/34/59/546653459.db2.gz APOUHWZFCAQLHD-ZDUSSCGKSA-N 2 0 330.394 3.448 20 0 EGADRP C[N@H+](CCc1ccccn1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120794380 546717979 /nfs/dbraw/zinc/71/79/79/546717979.db2.gz XSRHXNIVBXUEIJ-UHFFFAOYSA-N 2 0 339.483 3.231 20 0 EGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133100506 546817729 /nfs/dbraw/zinc/81/77/29/546817729.db2.gz BRPIUMZYUSLKQE-HRAATJIYSA-N 2 0 344.499 3.163 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159112815 546935041 /nfs/dbraw/zinc/93/50/41/546935041.db2.gz BPWZBEJRKFGQAF-CABCVRRESA-N 2 0 344.503 3.351 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000165974854 546985156 /nfs/dbraw/zinc/98/51/56/546985156.db2.gz GYYYRIYDPXLUKR-QZTJIDSGSA-N 2 0 332.488 3.243 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166190960 546987158 /nfs/dbraw/zinc/98/71/58/546987158.db2.gz XZBHJQIAXCMBEK-VQTJNVASSA-N 2 0 345.531 3.124 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166039538 546988745 /nfs/dbraw/zinc/98/87/45/546988745.db2.gz UATDODAKWUSSOA-LEWJYISDSA-N 2 0 327.516 3.389 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000166434880 546988789 /nfs/dbraw/zinc/98/87/89/546988789.db2.gz SMBLSHDDDMDNGX-UHFFFAOYSA-N 2 0 348.288 3.429 20 0 EGADRP Clc1cnc(NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166687842 546989795 /nfs/dbraw/zinc/98/97/95/546989795.db2.gz YUPJWLIOPZSBIG-QWHCGFSZSA-N 2 0 329.275 3.017 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000339248774 547572697 /nfs/dbraw/zinc/57/26/97/547572697.db2.gz BEDYQIIZZIYDGU-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000339255695 547572907 /nfs/dbraw/zinc/57/29/07/547572907.db2.gz QQRMBBHGHCGBPO-SJORKVTESA-N 2 0 335.492 3.043 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000343949415 547605688 /nfs/dbraw/zinc/60/56/88/547605688.db2.gz YNZWYYSVPCJJRC-LJQANCHMSA-N 2 0 340.471 3.059 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)CC2 ZINC000358919849 547748353 /nfs/dbraw/zinc/74/83/53/547748353.db2.gz YLBXFVXHKPYSAX-MAUKXSAKSA-N 2 0 332.488 3.403 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OCc1cccnc1 ZINC000414935525 547861710 /nfs/dbraw/zinc/86/17/10/547861710.db2.gz YRGNPCWBCKHYMQ-MSOLQXFVSA-N 2 0 341.455 3.029 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000414929191 547861825 /nfs/dbraw/zinc/86/18/25/547861825.db2.gz RDWLHQMXXVDSSY-QWHCGFSZSA-N 2 0 334.261 3.357 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)CN1CC[NH+](C)CC1 ZINC000474726097 547954404 /nfs/dbraw/zinc/95/44/04/547954404.db2.gz DVTOELUBFLVNHC-JUVOFCAFSA-N 2 0 349.485 3.217 20 0 EGADRP c1[nH]nc2cc(CC[NH2+]C3CC[NH+](C4CCCCC4)CC3)ccc12 ZINC000671301227 548275039 /nfs/dbraw/zinc/27/50/39/548275039.db2.gz CATYNTYWTLSFJA-UHFFFAOYSA-N 2 0 326.488 3.492 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[NH+](CC)CC ZINC000673637545 548586270 /nfs/dbraw/zinc/58/62/70/548586270.db2.gz MZJWNGZGRUKKRV-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](CC)CC ZINC000673657462 548591524 /nfs/dbraw/zinc/59/15/24/548591524.db2.gz HJNKELQFMPJSPI-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1OC(F)F ZINC000675734086 548969839 /nfs/dbraw/zinc/96/98/39/548969839.db2.gz ZLQFASKSUIZKGF-LBPRGKRZSA-N 2 0 328.403 3.117 20 0 EGADRP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)C1CC[NH+](C)CC1 ZINC000675765733 548976381 /nfs/dbraw/zinc/97/63/81/548976381.db2.gz OQKUSQIPCRFOBN-INIZCTEOSA-N 2 0 338.499 3.181 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000677239948 549235215 /nfs/dbraw/zinc/23/52/15/549235215.db2.gz AKLYJXBQJDUUGH-QYZOEREBSA-N 2 0 331.479 3.319 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)o1 ZINC000678024047 549378944 /nfs/dbraw/zinc/37/89/44/549378944.db2.gz HBMZCABFBZPYPJ-UHFFFAOYSA-N 2 0 349.519 3.315 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000678278680 549457059 /nfs/dbraw/zinc/45/70/59/549457059.db2.gz BNKXKBVWLBSJQI-UHFFFAOYSA-N 2 0 332.488 3.162 20 0 EGADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000678542152 549516638 /nfs/dbraw/zinc/51/66/38/549516638.db2.gz SXZRLEGNTSUMNK-SFHVURJKSA-N 2 0 333.520 3.070 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC(C)C)CC2)[C@H](C)C1 ZINC000678604167 549529574 /nfs/dbraw/zinc/52/95/74/549529574.db2.gz DLPUKIVNBZBQCE-YNIZLOQISA-N 2 0 340.552 3.449 20 0 EGADRP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000679721606 549768267 /nfs/dbraw/zinc/76/82/67/549768267.db2.gz PJBKEALBKNDJID-SLFFLAALSA-N 2 0 328.500 3.182 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000680140320 549826564 /nfs/dbraw/zinc/82/65/64/549826564.db2.gz BGMKDNQQDBJMFX-RTBURBONSA-N 2 0 346.515 3.456 20 0 EGADRP COc1ccc(COCC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000680401250 549862545 /nfs/dbraw/zinc/86/25/45/549862545.db2.gz LSIZWMJTUVNMIF-MJGOQNOKSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000681135681 549959261 /nfs/dbraw/zinc/95/92/61/549959261.db2.gz BMGOBOYAXRUIKJ-OAHLLOKOSA-N 2 0 346.906 3.004 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000682130774 550076040 /nfs/dbraw/zinc/07/60/40/550076040.db2.gz JJIXGGCRCKEZDN-TZIWHRDSSA-N 2 0 329.532 3.112 20 0 EGADRP C[C@H]1C[NH+](C(C)(C)CNc2cc[nH+]c3c(O)cccc23)C[C@H](C)O1 ZINC000682238219 550085644 /nfs/dbraw/zinc/08/56/44/550085644.db2.gz OZAOYDFOSHFANE-KBPBESRZSA-N 2 0 329.444 3.240 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCc1cnn(C)c1 ZINC000682533923 550112341 /nfs/dbraw/zinc/11/23/41/550112341.db2.gz NTLHOWDUWUHBMO-QZTJIDSGSA-N 2 0 340.515 3.099 20 0 EGADRP CC(C)(C)[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000684145658 550295918 /nfs/dbraw/zinc/29/59/18/550295918.db2.gz NSLGCDMQEAZCED-FQEVSTJZSA-N 2 0 346.515 3.408 20 0 EGADRP Cc1cccc(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000684410419 550326639 /nfs/dbraw/zinc/32/66/39/550326639.db2.gz BOJURXCVIXEIGR-UHFFFAOYSA-N 2 0 339.483 3.197 20 0 EGADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000684557554 550343004 /nfs/dbraw/zinc/34/30/04/550343004.db2.gz WTGYUFCBQHKPQT-SDZDHKAXSA-N 2 0 328.500 3.302 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000684955215 550387754 /nfs/dbraw/zinc/38/77/54/550387754.db2.gz JBLVCDFWIHTNLQ-HXUWFJFHSA-N 2 0 339.483 3.232 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000684955243 550388025 /nfs/dbraw/zinc/38/80/25/550388025.db2.gz JSUNWLVKRNWZML-GOSISDBHSA-N 2 0 325.456 3.189 20 0 EGADRP C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685442217 550417358 /nfs/dbraw/zinc/41/73/58/550417358.db2.gz HZGWFWPXMHZCPC-PKOBYXMFSA-N 2 0 334.504 3.143 20 0 EGADRP C[C@@H](CCc1ccccc1)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457619 550418836 /nfs/dbraw/zinc/41/88/36/550418836.db2.gz HCAXZUUUIBWJNG-SIKLNZKXSA-N 2 0 343.559 3.356 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000728571839 574759092 /nfs/dbraw/zinc/75/90/92/574759092.db2.gz MCMGARZBAAXIRU-UHFFFAOYSA-N 2 0 344.455 3.051 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000729314400 574837258 /nfs/dbraw/zinc/83/72/58/574837258.db2.gz KFXBVZGRYZCJBP-UHFFFAOYSA-N 2 0 343.515 3.165 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729337600 574843664 /nfs/dbraw/zinc/84/36/64/574843664.db2.gz IIICSBZPQQYNLP-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP c1c(CN2CCC[N@H+](Cc3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000687957405 1298121195 /nfs/dbraw/zinc/12/11/95/1298121195.db2.gz ANHHSHZNPINSMT-UHFFFAOYSA-N 2 0 341.524 3.102 20 0 EGADRP Cc1c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)sc2nc(C)nc(C)c12 ZINC000030906901 1291356735 /nfs/dbraw/zinc/35/67/35/1291356735.db2.gz OGBAQKJLHKOORH-CQSZACIVSA-N 2 0 330.501 3.190 20 0 EGADRP Fc1cc(Br)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000035054357 1291391569 /nfs/dbraw/zinc/39/15/69/1291391569.db2.gz MXKBCOJUXRYONM-UHFFFAOYSA-N 2 0 327.241 3.305 20 0 EGADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1cccc(F)c1 ZINC000051793728 1291684968 /nfs/dbraw/zinc/68/49/68/1291684968.db2.gz FSXQHFNZONBTBC-HXUWFJFHSA-N 2 0 334.479 3.447 20 0 EGADRP Brc1ccsc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200286 1292003707 /nfs/dbraw/zinc/00/37/07/1292003707.db2.gz ZYUWJGJMEPWESD-ZDUSSCGKSA-N 2 0 329.307 3.475 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cscn3)CC2)cc1 ZINC000063319523 1292006757 /nfs/dbraw/zinc/00/67/57/1292006757.db2.gz AWMWMRKLGCPUKE-UHFFFAOYSA-N 2 0 331.485 3.154 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000067671729 1292168023 /nfs/dbraw/zinc/16/80/23/1292168023.db2.gz ALHUKPXVXYCADO-CYBMUJFWSA-N 2 0 330.303 3.109 20 0 EGADRP C[NH+]=C(NCc1ccco1)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000069672675 1292247808 /nfs/dbraw/zinc/24/78/08/1292247808.db2.gz SZRHJHJTXRHYAQ-OAHLLOKOSA-N 2 0 328.460 3.074 20 0 EGADRP CC[NH+](CC)CCSCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000072901848 1292296939 /nfs/dbraw/zinc/29/69/39/1292296939.db2.gz BWIYXEUBLHTVSE-UHFFFAOYSA-N 2 0 349.544 3.296 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCC(C)C ZINC000075780640 1292410888 /nfs/dbraw/zinc/41/08/88/1292410888.db2.gz KQWVVZSBFJIREZ-KRWDZBQOSA-N 2 0 332.488 3.304 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000828936825 1292519474 /nfs/dbraw/zinc/51/94/74/1292519474.db2.gz VDCHCTHHFHAPED-SOUVJXGZSA-N 2 0 337.335 3.297 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000831088974 1292807117 /nfs/dbraw/zinc/80/71/17/1292807117.db2.gz QQMWERXNZXKQBY-SGZDXZSOSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCCCC[NH3+])CC1 ZINC000831132957 1292816835 /nfs/dbraw/zinc/81/68/35/1292816835.db2.gz OMGMWUPTSKSYIZ-QGZVFWFLSA-N 2 0 346.519 3.030 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000105451756 1293036624 /nfs/dbraw/zinc/03/66/24/1293036624.db2.gz KYXKMNGPUALIOJ-UHFFFAOYSA-N 2 0 325.500 3.203 20 0 EGADRP COC1([C@@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000834548630 1293116165 /nfs/dbraw/zinc/11/61/65/1293116165.db2.gz PTTGLMLPYJHVKM-QGZVFWFLSA-N 2 0 338.536 3.205 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000119752857 1293286757 /nfs/dbraw/zinc/28/67/57/1293286757.db2.gz JYYOPWMPJGFHBG-UHFFFAOYSA-N 2 0 328.456 3.316 20 0 EGADRP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000120987003 1293349351 /nfs/dbraw/zinc/34/93/51/1293349351.db2.gz RQFKMUUTTQNYPX-HOTGVXAUSA-N 2 0 326.488 3.486 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122799970 1293425379 /nfs/dbraw/zinc/42/53/79/1293425379.db2.gz GFGGQNBVKBCMNP-ZACQAIPSSA-N 2 0 339.524 3.286 20 0 EGADRP CCc1ccc(N2CC[NH+](CCCCn3ccnc3C)CC2)cc1 ZINC000124735227 1293483549 /nfs/dbraw/zinc/48/35/49/1293483549.db2.gz JBMGUKIUFWEUQR-UHFFFAOYSA-N 2 0 326.488 3.356 20 0 EGADRP Cc1ccc(-c2cccc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)c2)cc1 ZINC000150774670 1293892878 /nfs/dbraw/zinc/89/28/78/1293892878.db2.gz ITVGAYAMJFKTFH-IBGZPJMESA-N 2 0 337.511 3.388 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000150995012 1293901363 /nfs/dbraw/zinc/90/13/63/1293901363.db2.gz RUSCTRHNTLAUEP-CQSZACIVSA-N 2 0 349.302 3.448 20 0 EGADRP CCCC[N@H+](C)CC1CCN(CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000151802817 1293939613 /nfs/dbraw/zinc/93/96/13/1293939613.db2.gz QHOSWIXOQQUUCT-HXUWFJFHSA-N 2 0 343.515 3.361 20 0 EGADRP [NH3+]CCCCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000155546228 1294104317 /nfs/dbraw/zinc/10/43/17/1294104317.db2.gz MPZGNXYHXVVHCK-UHFFFAOYSA-N 2 0 331.504 3.198 20 0 EGADRP CCn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000159994862 1294253654 /nfs/dbraw/zinc/25/36/54/1294253654.db2.gz UARZDKCOBYCIKG-KRWDZBQOSA-N 2 0 326.488 3.425 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000162864527 1294323701 /nfs/dbraw/zinc/32/37/01/1294323701.db2.gz AQSXRCSPXHPZMQ-HNNXBMFYSA-N 2 0 327.513 3.096 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000163583330 1294336245 /nfs/dbraw/zinc/33/62/45/1294336245.db2.gz QGJSVSSOPZPPMI-UHFFFAOYSA-N 2 0 347.503 3.043 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000180013869 1294852411 /nfs/dbraw/zinc/85/24/11/1294852411.db2.gz VHOBPZRHKVWURE-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000182759787 1295072855 /nfs/dbraw/zinc/07/28/55/1295072855.db2.gz VDQFNNBWPBLDBS-NRFANRHFSA-N 2 0 343.515 3.426 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCCO)cc1C[NH+]1CCCCC1 ZINC000183104624 1295097925 /nfs/dbraw/zinc/09/79/25/1295097925.db2.gz FATMLQXLRSHOSJ-SJORKVTESA-N 2 0 334.504 3.493 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCn2cccn2)ccc1OC ZINC000183183182 1295104858 /nfs/dbraw/zinc/10/48/58/1295104858.db2.gz UHBDDQULPBRBMG-MRXNPFEDSA-N 2 0 330.476 3.084 20 0 EGADRP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000870875276 1296125814 /nfs/dbraw/zinc/12/58/14/1296125814.db2.gz GKKCNOCKPAWMRA-MXVIHJGJSA-N 2 0 343.515 3.196 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000222890001 1296131245 /nfs/dbraw/zinc/13/12/45/1296131245.db2.gz AGEZIXSYBDJRME-HZPDHXFCSA-N 2 0 327.513 3.144 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870903844 1296134246 /nfs/dbraw/zinc/13/42/46/1296134246.db2.gz GPQQKGJFEAPTMQ-BGYRXZFFSA-N 2 0 345.531 3.442 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870931646 1296144452 /nfs/dbraw/zinc/14/44/52/1296144452.db2.gz JAMPVWGHZQFKKP-IRJFHVNHSA-N 2 0 343.515 3.052 20 0 EGADRP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000870949892 1296148769 /nfs/dbraw/zinc/14/87/69/1296148769.db2.gz TVLUYPLMZMEHMW-IYBDPMFKSA-N 2 0 347.528 3.331 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000236977275 1296213991 /nfs/dbraw/zinc/21/39/91/1296213991.db2.gz FOXFIAVLEATDCX-GOSISDBHSA-N 2 0 341.499 3.371 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000247142698 1296383696 /nfs/dbraw/zinc/38/36/96/1296383696.db2.gz WJISPYOAVHSTSL-ZWOKBUDYSA-N 2 0 346.515 3.409 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261545895 1296592708 /nfs/dbraw/zinc/59/27/08/1296592708.db2.gz GJESSCTWAZNMRI-QHAWAJNXSA-N 3 0 329.532 3.396 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000261737609 1296600767 /nfs/dbraw/zinc/60/07/67/1296600767.db2.gz SJNNUEZCZGSDNT-LJQANCHMSA-N 2 0 340.471 3.350 20 0 EGADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261942936 1296609108 /nfs/dbraw/zinc/60/91/08/1296609108.db2.gz MYNOPTWVMUTDNW-GOSISDBHSA-N 2 0 343.515 3.003 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCCc3cc(OC)c(OC)cc32)C1 ZINC000872025254 1296667699 /nfs/dbraw/zinc/66/76/99/1296667699.db2.gz JEXRTODXQZWVDX-CRAIPNDOSA-N 2 0 332.488 3.403 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC(C)(C)Sc2ccccc21)N1CC[NH+](C)CC1 ZINC000872033732 1296682153 /nfs/dbraw/zinc/68/21/53/1296682153.db2.gz ITFGDGWVLPLLMT-WBVHZDCISA-N 2 0 333.545 3.228 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCCC2 ZINC000872035867 1296685519 /nfs/dbraw/zinc/68/55/19/1296685519.db2.gz NWYIODVHISSASJ-MAUKXSAKSA-N 2 0 332.488 3.403 20 0 EGADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000872085223 1296725029 /nfs/dbraw/zinc/72/50/29/1296725029.db2.gz NTACMUXPPUMYCS-HKUYNNGSSA-N 2 0 338.536 3.061 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000299991169 1296777812 /nfs/dbraw/zinc/77/78/12/1296777812.db2.gz SVNMKCPHPREBRK-BZUAXINKSA-N 2 0 327.513 3.094 20 0 EGADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1)C1CCCC1 ZINC000872157833 1296777740 /nfs/dbraw/zinc/77/77/40/1296777740.db2.gz RJYGKEQCHYSOAN-LPHOPBHVSA-N 2 0 329.488 3.245 20 0 EGADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592338 1297019466 /nfs/dbraw/zinc/01/94/66/1297019466.db2.gz NWTXIHNWLOBOJD-LPHOPBHVSA-N 2 0 328.435 3.063 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](n2cncn2)C1 ZINC000340471862 1297313491 /nfs/dbraw/zinc/31/34/91/1297313491.db2.gz YRGCXGWYXPJDRP-SWBPCFCJSA-N 2 0 347.551 3.356 20 0 EGADRP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCNC(=O)CC2)CCCCC1 ZINC000873172251 1297322964 /nfs/dbraw/zinc/32/29/64/1297322964.db2.gz QUZFECKABWBWBE-LJQANCHMSA-N 2 0 343.515 3.080 20 0 EGADRP COc1ccc2c(c1)CCC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873204918 1297350894 /nfs/dbraw/zinc/35/08/94/1297350894.db2.gz LCSQAEQHKPPJRY-UHFFFAOYSA-N 2 0 328.481 3.351 20 0 EGADRP CCOc1cc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)ccc1OC ZINC000873212675 1297354751 /nfs/dbraw/zinc/35/47/51/1297354751.db2.gz OPRUQTLRDRTQAI-UHFFFAOYSA-N 2 0 332.469 3.091 20 0 EGADRP Fc1cccc(F)c1N1CC[C@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210751 1297355011 /nfs/dbraw/zinc/35/50/11/1297355011.db2.gz AADNCXVCEDQRSI-ZDUSSCGKSA-N 2 0 349.450 3.041 20 0 EGADRP Brc1ccccc1C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213033 1297355183 /nfs/dbraw/zinc/35/51/83/1297355183.db2.gz URNKPKKEFOHYHQ-UHFFFAOYSA-N 2 0 337.286 3.446 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000873246554 1297387478 /nfs/dbraw/zinc/38/74/78/1297387478.db2.gz WTBGWUAFMIPGRB-NVXWUHKLSA-N 2 0 329.488 3.242 20 0 EGADRP COc1ccc(C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000873258128 1297392919 /nfs/dbraw/zinc/39/29/19/1297392919.db2.gz XCQSKVWXUBDOHE-MDKPJZGXSA-N 2 0 340.467 3.315 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000873260663 1297394875 /nfs/dbraw/zinc/39/48/75/1297394875.db2.gz FKBBUBRBHUIXFO-IFCWYPFCSA-N 2 0 332.488 3.316 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259986 1297395227 /nfs/dbraw/zinc/39/52/27/1297395227.db2.gz QAKWEFNJCJTKBA-VVWQDTPRSA-N 2 0 344.503 3.398 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CCCOC2=O)cc1 ZINC000873262526 1297397133 /nfs/dbraw/zinc/39/71/33/1297397133.db2.gz ZVZFVTPSWHBTHK-ONIAQPFYSA-N 2 0 343.471 3.215 20 0 EGADRP C[C@H]([NH2+]Cc1cc(N)cc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873288818 1297411458 /nfs/dbraw/zinc/41/14/58/1297411458.db2.gz MALHFPZEFGDZBU-YJBOKZPZSA-N 2 0 327.447 3.408 20 0 EGADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290011 1297412764 /nfs/dbraw/zinc/41/27/64/1297412764.db2.gz AQGWZROMUHBTKP-HKUYNNGSSA-N 2 0 330.516 3.491 20 0 EGADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290225 1297412848 /nfs/dbraw/zinc/41/28/48/1297412848.db2.gz BSHXFMRYFATTCX-GBESFXJTSA-N 2 0 332.463 3.210 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(C)ccc1OC ZINC000873291944 1297414361 /nfs/dbraw/zinc/41/43/61/1297414361.db2.gz OIGBSFFMQUGHCN-WMZOPIPTSA-N 2 0 332.488 3.203 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291705 1297414404 /nfs/dbraw/zinc/41/44/04/1297414404.db2.gz IEPBJFKSBLJGEF-DOTOQJQBSA-N 2 0 328.456 3.112 20 0 EGADRP [NH3+]Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000381286332 1297551838 /nfs/dbraw/zinc/55/18/38/1297551838.db2.gz WJQZVLAFAKBVRH-YADHBBJMSA-N 3 0 335.495 3.099 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCCCC[NH3+] ZINC000382728374 1297562960 /nfs/dbraw/zinc/56/29/60/1297562960.db2.gz XJOLNRIMPMCLIP-GOSISDBHSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000390087972 1297621185 /nfs/dbraw/zinc/62/11/85/1297621185.db2.gz BCCJVURPIFVCHZ-BBRMVZONSA-N 2 0 330.394 3.060 20 0 EGADRP Cc1ccc(OC[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000392033089 1297650828 /nfs/dbraw/zinc/65/08/28/1297650828.db2.gz DUMCJRYWFHVWJQ-QGZVFWFLSA-N 2 0 325.456 3.416 20 0 EGADRP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444793907 1297861378 /nfs/dbraw/zinc/86/13/78/1297861378.db2.gz QGJAQUTXBYCJQF-STQMWFEESA-N 2 0 343.456 3.472 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686219201 1298115022 /nfs/dbraw/zinc/11/50/22/1298115022.db2.gz XPOZDVJZYPRZOI-HZPDHXFCSA-N 2 0 341.540 3.342 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000687673219 1298119620 /nfs/dbraw/zinc/11/96/20/1298119620.db2.gz RHLXTZMRMRYCQJ-BRWVUGGUSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000693912850 1298152767 /nfs/dbraw/zinc/15/27/67/1298152767.db2.gz SHKFZBPIECOPHD-BBRMVZONSA-N 2 0 325.294 3.454 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000695784653 1298160983 /nfs/dbraw/zinc/16/09/83/1298160983.db2.gz IMEXRYRPMFGBIT-OAHLLOKOSA-N 2 0 335.492 3.141 20 0 EGADRP OCc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000714966781 1298275588 /nfs/dbraw/zinc/27/55/88/1298275588.db2.gz LYTLDSWVPHBBAQ-WIYYLYMNSA-N 2 0 337.467 3.065 20 0 EGADRP CC1(C)OC[C@H](C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)O1 ZINC000715098081 1298277373 /nfs/dbraw/zinc/27/73/73/1298277373.db2.gz YGONHCAZXWGJGU-OALUTQOASA-N 2 0 332.488 3.030 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715036112 1298277508 /nfs/dbraw/zinc/27/75/08/1298277508.db2.gz CHJHWMVDBRTJJH-LEWJYISDSA-N 3 0 329.532 3.492 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000876708232 1298932400 /nfs/dbraw/zinc/93/24/00/1298932400.db2.gz IUONNVNKQBQFLQ-BEFAXECRSA-N 2 0 347.478 3.337 20 0 EGADRP CCOC(=O)N1CCC(C)(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)CC1 ZINC000876760052 1298965914 /nfs/dbraw/zinc/96/59/14/1298965914.db2.gz RUCVAWYFIVZARD-IRXDYDNUSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877019726 1299116729 /nfs/dbraw/zinc/11/67/29/1299116729.db2.gz PVIHGCUXDHNVJE-UHFFFAOYSA-N 2 0 339.524 3.003 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000877528490 1299371199 /nfs/dbraw/zinc/37/11/99/1299371199.db2.gz BOVFWYDURSRLOZ-AXAPSJFSSA-N 2 0 331.287 3.489 20 0 EGADRP Cn1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(-c2cccs2)n1 ZINC000877683916 1299478345 /nfs/dbraw/zinc/47/83/45/1299478345.db2.gz BEBVQWVKZAINSG-UHFFFAOYSA-N 2 0 344.528 3.456 20 0 EGADRP CC(C)(C)SCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878156186 1299784898 /nfs/dbraw/zinc/78/48/98/1299784898.db2.gz WGIMCMNVJLCTBW-UHFFFAOYSA-N 2 0 328.566 3.485 20 0 EGADRP C=C/C=C/CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878607800 1300103942 /nfs/dbraw/zinc/10/39/42/1300103942.db2.gz ZATIIOLBNZGACK-YEFOHOTDSA-N 2 0 325.500 3.011 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000758204546 1300812995 /nfs/dbraw/zinc/81/29/95/1300812995.db2.gz VQYDOHFIJNMPRA-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759134670 1301020533 /nfs/dbraw/zinc/02/05/33/1301020533.db2.gz IYAMCQHZTBGJJV-HZPDHXFCSA-N 2 0 341.540 3.247 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3oc(=O)oc3c2)c1 ZINC000882981240 1302190346 /nfs/dbraw/zinc/19/03/46/1302190346.db2.gz FZXMIACADAJQLR-UHFFFAOYSA-N 2 0 326.396 3.128 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000883031025 1302214678 /nfs/dbraw/zinc/21/46/78/1302214678.db2.gz HAFFXLMSZIFADN-UHFFFAOYSA-N 2 0 332.444 3.234 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000765872079 1302343433 /nfs/dbraw/zinc/34/34/33/1302343433.db2.gz UPEDCDHGCMGOFV-BLLLJJGKSA-N 2 0 343.284 3.451 20 0 EGADRP CC(C)(C)[NH+]1CCC(N[C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000883386625 1302426030 /nfs/dbraw/zinc/42/60/30/1302426030.db2.gz JVEDUQQKCXIMPU-IBGZPJMESA-N 2 0 326.488 3.477 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cn1 ZINC000883388090 1302426551 /nfs/dbraw/zinc/42/65/51/1302426551.db2.gz LWYDAOSYBWPVAC-LPHOPBHVSA-N 2 0 336.439 3.249 20 0 EGADRP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461778 1302452020 /nfs/dbraw/zinc/45/20/20/1302452020.db2.gz CVADANPZEMMUHP-UKRRQHHQSA-N 2 0 328.460 3.420 20 0 EGADRP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000768168261 1302841632 /nfs/dbraw/zinc/84/16/32/1302841632.db2.gz FAURFTUEGMMLNP-UHFFFAOYSA-N 2 0 328.456 3.397 20 0 EGADRP CCc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000769875306 1303187043 /nfs/dbraw/zinc/18/70/43/1303187043.db2.gz OAJZWAHQXIZTHB-AWEZNQCLSA-N 2 0 331.460 3.337 20 0 EGADRP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000885969279 1303303565 /nfs/dbraw/zinc/30/35/65/1303303565.db2.gz NGVCADNZGMZDRX-UHFFFAOYSA-N 2 0 326.488 3.229 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000886541208 1303492859 /nfs/dbraw/zinc/49/28/59/1303492859.db2.gz RXKLAKVKEYVGSK-UHFFFAOYSA-N 2 0 344.425 3.332 20 0 EGADRP Cn1nccc1[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886621038 1303527946 /nfs/dbraw/zinc/52/79/46/1303527946.db2.gz ZGSFFSPOIJCKAD-OWODTTCDSA-N 2 0 346.519 3.027 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000773032092 1303611805 /nfs/dbraw/zinc/61/18/05/1303611805.db2.gz SDMNUPASAPEZSZ-ULFGMLNVSA-N 2 0 326.431 3.097 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000774310427 1303796916 /nfs/dbraw/zinc/79/69/16/1303796916.db2.gz BUMBVYQUZZBNFD-VOBGVNJCSA-N 2 0 343.515 3.444 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCn2ccnc2C)ccc1OC ZINC000775382478 1303950802 /nfs/dbraw/zinc/95/08/02/1303950802.db2.gz OQYSVCSLZNTOJY-MRXNPFEDSA-N 2 0 344.503 3.393 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)cc1C[NH+]1CCCCC1 ZINC000775386738 1303952870 /nfs/dbraw/zinc/95/28/70/1303952870.db2.gz UBPGYQNHQSAFES-IAGOWNOFSA-N 2 0 333.520 3.282 20 0 EGADRP C[C@@H]1C[C@H](Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000776856214 1304212646 /nfs/dbraw/zinc/21/26/46/1304212646.db2.gz ONOTTWJWGHIGOY-SJLPKXTDSA-N 2 0 330.520 3.112 20 0 EGADRP C[C@H]1C[C@H](Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000776856212 1304212833 /nfs/dbraw/zinc/21/28/33/1304212833.db2.gz ONOTTWJWGHIGOY-FUHWJXTLSA-N 2 0 330.520 3.112 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCOc2cccnc2)C3)cc1 ZINC000779439257 1304572373 /nfs/dbraw/zinc/57/23/73/1304572373.db2.gz VACSIHIUIXNQKG-ACDBMABISA-N 2 0 337.467 3.246 20 0 EGADRP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781203307 1304790606 /nfs/dbraw/zinc/79/06/06/1304790606.db2.gz DAIVEUDMTKIABK-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000784670276 1305270448 /nfs/dbraw/zinc/27/04/48/1305270448.db2.gz GZPDEUXRTRBOEF-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000892641063 1305484967 /nfs/dbraw/zinc/48/49/67/1305484967.db2.gz VNIHXWFEQUBIKX-UHFFFAOYSA-N 2 0 326.488 3.045 20 0 EGADRP Cc1cc(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cnc1F ZINC000892676828 1305502065 /nfs/dbraw/zinc/50/20/65/1305502065.db2.gz PRZHUENDEQYUST-MRXNPFEDSA-N 2 0 343.446 3.040 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCc2cc(Br)ccc2F)CC1 ZINC000892733482 1305528186 /nfs/dbraw/zinc/52/81/86/1305528186.db2.gz VGLZLABFLDQRKB-UHFFFAOYSA-N 2 0 329.257 3.062 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1)[NH+]1CCCCC1 ZINC000786912342 1305654562 /nfs/dbraw/zinc/65/45/62/1305654562.db2.gz RFRXYTVKGXLPID-IAGOWNOFSA-N 2 0 344.503 3.131 20 0 EGADRP CCOC(CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)OCC ZINC000786971010 1305669936 /nfs/dbraw/zinc/66/99/36/1305669936.db2.gz PXLWIHNZDOVJHS-FUHWJXTLSA-N 2 0 326.525 3.408 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCc2cncn2C)ccc1OC ZINC000788256952 1305909689 /nfs/dbraw/zinc/90/96/89/1305909689.db2.gz KXRKWJCPPBUFCM-INIZCTEOSA-N 2 0 344.503 3.164 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000894184871 1306266470 /nfs/dbraw/zinc/26/64/70/1306266470.db2.gz LWXSDMHMMVVKLT-UHFFFAOYSA-N 2 0 330.394 3.102 20 0 EGADRP c1ccc2c(c1)ccnc2C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000894192817 1306269748 /nfs/dbraw/zinc/26/97/48/1306269748.db2.gz DHYHDULMDNYETH-UHFFFAOYSA-N 2 0 347.462 3.357 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000894292559 1306324715 /nfs/dbraw/zinc/32/47/15/1306324715.db2.gz ASSOBMUQEQMCEL-MRXNPFEDSA-N 2 0 338.293 3.227 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000894365285 1306361557 /nfs/dbraw/zinc/36/15/57/1306361557.db2.gz BJWUHFUCZFXCLS-QGZVFWFLSA-N 2 0 344.503 3.127 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000894558492 1308952873 /nfs/dbraw/zinc/95/28/73/1308952873.db2.gz PUGQDDYXRNWYOS-MRXNPFEDSA-N 2 0 329.488 3.196 20 0 EGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](CF)C1)C1CC[NH+](C)CC1 ZINC000895546289 1309394132 /nfs/dbraw/zinc/39/41/32/1309394132.db2.gz ZBUYGZSSRNSNNI-QGZVFWFLSA-N 2 0 333.495 3.399 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCC2(O)CCC2)ccc1OC ZINC000793564225 1309405805 /nfs/dbraw/zinc/40/58/05/1309405805.db2.gz KXVHPFTTWDJZSU-INIZCTEOSA-N 2 0 334.504 3.493 20 0 EGADRP C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000793569720 1309407004 /nfs/dbraw/zinc/40/70/04/1309407004.db2.gz PSMFLGHABKERQG-SJLPKXTDSA-N 2 0 332.488 3.064 20 0 EGADRP COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000895853453 1309562555 /nfs/dbraw/zinc/56/25/55/1309562555.db2.gz NSFUONRMFGNQML-MRXNPFEDSA-N 2 0 341.293 3.068 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795898828 1309856896 /nfs/dbraw/zinc/85/68/96/1309856896.db2.gz JAXYGQXEDMXVER-QZTJIDSGSA-N 2 0 338.536 3.267 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897537304 1310367672 /nfs/dbraw/zinc/36/76/72/1310367672.db2.gz SHUSMVYMZQSHLV-HZEGPAAWSA-N 2 0 330.516 3.428 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CCCC3(CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000798957478 1310463779 /nfs/dbraw/zinc/46/37/79/1310463779.db2.gz XZVAICCOOQDPNF-INIZCTEOSA-N 2 0 344.499 3.326 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CCO)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898170885 1310612899 /nfs/dbraw/zinc/61/28/99/1310612899.db2.gz NHMYCJCVRYVHDA-GCJKJVERSA-N 2 0 338.495 3.222 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000916970982 1319730110 /nfs/dbraw/zinc/73/01/10/1319730110.db2.gz WZBQYFFOQYQZCP-MRXNPFEDSA-N 2 0 346.393 3.083 20 0 EGADRP Cc1cc(NCc2c[nH+]ccc2N(C)C)ccc1OCC[NH+](C)C ZINC000839185188 1320889973 /nfs/dbraw/zinc/88/99/73/1320889973.db2.gz WLTJCAWUKKUAIR-UHFFFAOYSA-N 2 0 328.460 3.009 20 0 EGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857281349 1328525994 /nfs/dbraw/zinc/52/59/94/1328525994.db2.gz YFWPRTBNGPDWAT-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000857501767 1328543071 /nfs/dbraw/zinc/54/30/71/1328543071.db2.gz VFEKWZYASOVUMQ-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP C[NH+](C)Cc1ccc(-c2cnc3c(cnn3C3CC[NH+](C)CC3)c2)cc1 ZINC000857831843 1328598999 /nfs/dbraw/zinc/59/89/99/1328598999.db2.gz AXORLYMZASLQLQ-UHFFFAOYSA-N 2 0 349.482 3.427 20 0 EGADRP COCCC[N@H+](C)CCOc1ccc(-c2csc(C[NH3+])c2)cc1 ZINC000899324478 1316992797 /nfs/dbraw/zinc/99/27/97/1316992797.db2.gz MFSYDABYFWUTJL-UHFFFAOYSA-N 2 0 334.485 3.221 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1C[NH+](CC2CCCC2)C1 ZINC000956958763 1317098155 /nfs/dbraw/zinc/09/81/55/1317098155.db2.gz OXCIVQMSDBOACP-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001019288771 1317146496 /nfs/dbraw/zinc/14/64/96/1317146496.db2.gz COKRUJMZCKVCSV-FRYIKTPZSA-N 2 0 343.515 3.059 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900349541 1317280183 /nfs/dbraw/zinc/28/01/83/1317280183.db2.gz BPMSXQUMBSVWPQ-UXHICEINSA-N 2 0 341.499 3.280 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1CN([C@@H](C)c2ccccc2)C1 ZINC000957420110 1317346717 /nfs/dbraw/zinc/34/67/17/1317346717.db2.gz FTBIUEPCKQOBEF-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cc(-c3nc4cc(Cl)ccc4o3)no2)CC1 ZINC000901399907 1317418696 /nfs/dbraw/zinc/41/86/96/1317418696.db2.gz ZOCKWRKZPRRWND-UHFFFAOYSA-N 2 0 346.818 3.102 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019820651 1317439757 /nfs/dbraw/zinc/43/97/57/1317439757.db2.gz SAFYELHGGQDHMI-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957602661 1317491750 /nfs/dbraw/zinc/49/17/50/1317491750.db2.gz DJFXOGOWORQGGH-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC000957606045 1317492764 /nfs/dbraw/zinc/49/27/64/1317492764.db2.gz WXCBMHKDVQQJIN-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957617686 1317500072 /nfs/dbraw/zinc/50/00/72/1317500072.db2.gz WUAUBZFFCXAMRL-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000902318801 1317562728 /nfs/dbraw/zinc/56/27/28/1317562728.db2.gz JJSKXBMXMLLDRM-CABCVRRESA-N 2 0 337.458 3.159 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000902334594 1317564084 /nfs/dbraw/zinc/56/40/84/1317564084.db2.gz RBICMVANJBCLDZ-KDOFPFPSSA-N 2 0 329.488 3.464 20 0 EGADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902348423 1317566161 /nfs/dbraw/zinc/56/61/61/1317566161.db2.gz LVUZYPYIRXAEKY-MAUKXSAKSA-N 2 0 331.504 3.083 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902347712 1317566991 /nfs/dbraw/zinc/56/69/91/1317566991.db2.gz JMTGHYOIIMTNMZ-SFHVURJKSA-N 2 0 326.488 3.357 20 0 EGADRP CC1CC[NH+](CCC[C@@H](NCC2([NH3+])CC2)c2ccc(F)cc2)CC1 ZINC000902406154 1317574537 /nfs/dbraw/zinc/57/45/37/1317574537.db2.gz MBPCOEYRDZTNCN-LJQANCHMSA-N 2 0 333.495 3.460 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502493 1317585242 /nfs/dbraw/zinc/58/52/42/1317585242.db2.gz MWODAQRGVBSHIS-TXJVSEOTSA-N 2 0 330.472 3.037 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000957720144 1317587348 /nfs/dbraw/zinc/58/73/48/1317587348.db2.gz FBLGUZQQVGLUTN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000902527240 1317588181 /nfs/dbraw/zinc/58/81/81/1317588181.db2.gz HDQXVZKUEKODOO-YQVWRLOYSA-N 2 0 331.504 3.207 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020237808 1317603819 /nfs/dbraw/zinc/60/38/19/1317603819.db2.gz DKCBDAZUMGJMEZ-UFYCRDLUSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001020297753 1317633130 /nfs/dbraw/zinc/63/31/30/1317633130.db2.gz YFTGCPXSFSHQQU-MGHWNKPDSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001020302847 1317635729 /nfs/dbraw/zinc/63/57/29/1317635729.db2.gz UZUSYLLAHMYTIG-BJLQDIEVSA-N 2 0 343.515 3.031 20 0 EGADRP c1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cc1 ZINC000903056572 1317644309 /nfs/dbraw/zinc/64/43/09/1317644309.db2.gz VQXZMUSDGZSWJP-XDNSSPFJSA-N 2 0 339.527 3.398 20 0 EGADRP CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+]1CCC(C)CC1 ZINC000903067498 1317646903 /nfs/dbraw/zinc/64/69/03/1317646903.db2.gz SYTMVVAPRNPDDZ-KRIYCRJKSA-N 2 0 333.564 3.490 20 0 EGADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903116813 1317656236 /nfs/dbraw/zinc/65/62/36/1317656236.db2.gz JLIQBNBDALJUCS-MAWREPJSSA-N 2 0 346.515 3.134 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903128766 1317659109 /nfs/dbraw/zinc/65/91/09/1317659109.db2.gz AVVJKHOIDCZJNQ-JLYLLQBASA-N 2 0 344.499 3.384 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903148188 1317662526 /nfs/dbraw/zinc/66/25/26/1317662526.db2.gz QJSCQONFXXXKRR-FQVATPOOSA-N 2 0 326.484 3.300 20 0 EGADRP COc1ccc([C@@H](C[NH+](C)C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903165696 1317666433 /nfs/dbraw/zinc/66/64/33/1317666433.db2.gz NQPAKZKKPKXZOT-ZJVRTDGDSA-N 2 0 343.515 3.045 20 0 EGADRP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000903172299 1317667656 /nfs/dbraw/zinc/66/76/56/1317667656.db2.gz XHCUTRKZSDRCGT-NMACRGETSA-N 2 0 334.891 3.163 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000808719241 1317722498 /nfs/dbraw/zinc/72/24/98/1317722498.db2.gz DNLFIXAUBHHVAH-FQEVSTJZSA-N 2 0 339.483 3.498 20 0 EGADRP c1ccc2sc([C@@H]3CCC[N@H+]3C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)nc2c1 ZINC000903734486 1317726795 /nfs/dbraw/zinc/72/67/95/1317726795.db2.gz ZFSVGJBKGZHCTD-QOKNQOGYSA-N 2 0 343.496 3.202 20 0 EGADRP c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](C[C@H]4CCCC[NH2+]C4)C3)n2)cc1 ZINC000903755476 1317729832 /nfs/dbraw/zinc/72/98/32/1317729832.db2.gz HUGYZILFMCLFGN-WMZOPIPTSA-N 2 0 339.487 3.041 20 0 EGADRP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756816 1317731270 /nfs/dbraw/zinc/73/12/70/1317731270.db2.gz WEUIJQZJEZQRAJ-NZGUISNBSA-N 2 0 344.499 3.237 20 0 EGADRP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770724 1317732042 /nfs/dbraw/zinc/73/20/42/1317732042.db2.gz YYRJMJBATBJKLX-BJLQDIEVSA-N 2 0 332.463 3.162 20 0 EGADRP C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783925 1317733131 /nfs/dbraw/zinc/73/31/31/1317733131.db2.gz HNISTYICJUZANR-VQTJNVASSA-N 2 0 346.490 3.381 20 0 EGADRP C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783923 1317733393 /nfs/dbraw/zinc/73/33/93/1317733393.db2.gz HNISTYICJUZANR-PMACEKPBSA-N 2 0 346.490 3.381 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000903794440 1317736942 /nfs/dbraw/zinc/73/69/42/1317736942.db2.gz VIRRVWFAMJXFAZ-UHFFFAOYSA-N 2 0 325.456 3.046 20 0 EGADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)CCC1 ZINC000903814591 1317736992 /nfs/dbraw/zinc/73/69/92/1317736992.db2.gz NLTNZSKWOULZRW-GOSISDBHSA-N 2 0 325.456 3.424 20 0 EGADRP Cc1ccc(C)c(C2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903875625 1317740933 /nfs/dbraw/zinc/74/09/33/1317740933.db2.gz RXNZOOSNWYDQNW-PZJWPPBQSA-N 2 0 328.500 3.251 20 0 EGADRP CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000903906722 1317746123 /nfs/dbraw/zinc/74/61/23/1317746123.db2.gz YQTMWPMTCYKDPG-OTYNDTSQSA-N 2 0 327.516 3.113 20 0 EGADRP CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000903906723 1317746395 /nfs/dbraw/zinc/74/63/95/1317746395.db2.gz YQTMWPMTCYKDPG-VTHDOGFWSA-N 2 0 327.516 3.113 20 0 EGADRP Clc1cc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)cc2c1OCCO2 ZINC000903925944 1317750181 /nfs/dbraw/zinc/75/01/81/1317750181.db2.gz PQLIQYWAZFKTTE-UHFFFAOYSA-N 2 0 344.842 3.047 20 0 EGADRP C[N@H+](Cc1nc(-c2cccc(-n3ccnc3)c2)no1)CC(C)(C)C ZINC000904002965 1317766509 /nfs/dbraw/zinc/76/65/09/1317766509.db2.gz BQLDNTXRFWUFBZ-UHFFFAOYSA-N 2 0 325.416 3.400 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000904404623 1317842580 /nfs/dbraw/zinc/84/25/80/1317842580.db2.gz AZMSZGCSOHSOIX-LBPRGKRZSA-N 2 0 349.276 3.010 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001020673577 1317850395 /nfs/dbraw/zinc/85/03/95/1317850395.db2.gz MJMRWLZZBWXSIO-MISYRCLQSA-N 2 0 347.547 3.378 20 0 EGADRP C[N@H+](CCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)Cc1ccccc1 ZINC000904573322 1317864807 /nfs/dbraw/zinc/86/48/07/1317864807.db2.gz SXOJNNKXMJDRAL-UHFFFAOYSA-N 2 0 340.471 3.134 20 0 EGADRP CC(C)([NH3+])c1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000904602100 1317867668 /nfs/dbraw/zinc/86/76/68/1317867668.db2.gz KXECDQYTNPTMQB-IRXDYDNUSA-N 2 0 330.476 3.019 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)cc1 ZINC001020748343 1317902844 /nfs/dbraw/zinc/90/28/44/1317902844.db2.gz CZZWMYNWVKVJIW-MXVIHJGJSA-N 2 0 343.515 3.179 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNc2cc[nH+]c(CO)c2)CC1 ZINC000858349002 1328742261 /nfs/dbraw/zinc/74/22/61/1328742261.db2.gz HSHMMJCNAOJWSN-UHFFFAOYSA-N 2 0 325.456 3.418 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001021299250 1318175842 /nfs/dbraw/zinc/17/58/42/1318175842.db2.gz GGDCCJSBYSERIP-NXEWRWPSSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001021303488 1318179320 /nfs/dbraw/zinc/17/93/20/1318179320.db2.gz XPCNPFUWCXROSB-XVLXNVKGSA-N 2 0 347.547 3.019 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960033970 1318320721 /nfs/dbraw/zinc/32/07/21/1318320721.db2.gz VXOUZUNUEPKIQC-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000960041780 1318324230 /nfs/dbraw/zinc/32/42/30/1318324230.db2.gz DLKKVFVTSQQUIL-YTQUADARSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960042774 1318325615 /nfs/dbraw/zinc/32/56/15/1318325615.db2.gz IUNHJPOUAAZXBR-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC2(CCC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000908498909 1318354490 /nfs/dbraw/zinc/35/44/90/1318354490.db2.gz NUZHTKRGRFVKRY-IBGZPJMESA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000960129571 1318371978 /nfs/dbraw/zinc/37/19/78/1318371978.db2.gz BIBCSGUTCUITKQ-MNEFBYGVSA-N 2 0 349.494 3.198 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960220611 1318416778 /nfs/dbraw/zinc/41/67/78/1318416778.db2.gz FRDFQCQKKQAHLF-SFHVURJKSA-N 2 0 349.544 3.095 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2=CCCCC2)CC[N@@H+]1C ZINC000960641776 1318761861 /nfs/dbraw/zinc/76/18/61/1318761861.db2.gz GHDQKQCHDDOJTI-HSALFYBXSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960664725 1318781311 /nfs/dbraw/zinc/78/13/11/1318781311.db2.gz KRVYSTYWCORMBU-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960664722 1318781945 /nfs/dbraw/zinc/78/19/45/1318781945.db2.gz KRVYSTYWCORMBU-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1)C1CCC1 ZINC000960667808 1318784225 /nfs/dbraw/zinc/78/42/25/1318784225.db2.gz KPBXOGJYUYEENK-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960678931 1318789243 /nfs/dbraw/zinc/78/92/43/1318789243.db2.gz BSHCVYXZTWGKOH-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP CCc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC000960709401 1318811701 /nfs/dbraw/zinc/81/17/01/1318811701.db2.gz KTAFXPDFRMAQLM-VQTJNVASSA-N 2 0 345.531 3.012 20 0 EGADRP CCc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)c1 ZINC000960720897 1318830671 /nfs/dbraw/zinc/83/06/71/1318830671.db2.gz VGIOSLQPXOGGKU-WOJBJXKFSA-N 2 0 345.531 3.012 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001022362577 1318905992 /nfs/dbraw/zinc/90/59/92/1318905992.db2.gz BAZPRUPJFZZBLX-ZSYWTGECSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370779 1318908786 /nfs/dbraw/zinc/90/87/86/1318908786.db2.gz VQLOUEXJNFHWFS-HDICACEKSA-N 2 0 348.450 3.002 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000960833921 1318962107 /nfs/dbraw/zinc/96/21/07/1318962107.db2.gz OUGQVKGYDMPLQB-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960868276 1319012652 /nfs/dbraw/zinc/01/26/52/1319012652.db2.gz ZUMVPIRTPUNOAL-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)[NH+]1CCCCCC1 ZINC000960916773 1319062918 /nfs/dbraw/zinc/06/29/18/1319062918.db2.gz NZCTUKXEXLJDRD-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)Cc1ncc[nH]1)CC1CCC(C)(C)CC1 ZINC000960942977 1319080981 /nfs/dbraw/zinc/08/09/81/1319080981.db2.gz CJLFGJJSQBBNMI-QGZVFWFLSA-N 2 0 346.519 3.091 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031584 1319155973 /nfs/dbraw/zinc/15/59/73/1319155973.db2.gz ZQKPPQASLTYAID-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CCN(OC)CC2)ccc1OC ZINC000817588366 1319407369 /nfs/dbraw/zinc/40/73/69/1319407369.db2.gz OLCJTOZYXYYUAB-INIZCTEOSA-N 2 0 349.519 3.213 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000817895105 1319452667 /nfs/dbraw/zinc/45/26/67/1319452667.db2.gz VCRHQANFLBXBNZ-ORYQWCPZSA-N 2 0 342.483 3.055 20 0 EGADRP Clc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000817892913 1319453373 /nfs/dbraw/zinc/45/33/73/1319453373.db2.gz WULPNEFACCLVLN-MAUKXSAKSA-N 2 0 329.831 3.081 20 0 EGADRP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817896232 1319454494 /nfs/dbraw/zinc/45/44/94/1319454494.db2.gz ZZPRWMRWPYEJSE-POAQFYNOSA-N 2 0 334.504 3.408 20 0 EGADRP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)cc1 ZINC000817897204 1319454524 /nfs/dbraw/zinc/45/45/24/1319454524.db2.gz GZVYKXOYIGFLCD-PKOBYXMFSA-N 2 0 338.499 3.477 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902228 1319454712 /nfs/dbraw/zinc/45/47/12/1319454712.db2.gz LLPLSLZTBWHQQA-TWOQFEAHSA-N 2 0 328.456 3.014 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000817905757 1319456878 /nfs/dbraw/zinc/45/68/78/1319456878.db2.gz NRWSWBSWWRTERS-HWPZZCPQSA-N 2 0 337.826 3.025 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000817922244 1319461838 /nfs/dbraw/zinc/46/18/38/1319461838.db2.gz CALZAOGQCADMCG-GDIGMMSISA-N 2 0 332.875 3.096 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC ZINC000817948583 1319473769 /nfs/dbraw/zinc/47/37/69/1319473769.db2.gz IJTSRTNDELLVQQ-HZPDHXFCSA-N 2 0 342.483 3.487 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950429 1319475295 /nfs/dbraw/zinc/47/52/95/1319475295.db2.gz YEIBLXJKWJXANI-PGRDOPGGSA-N 3 0 337.511 3.188 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817954757 1319475435 /nfs/dbraw/zinc/47/54/35/1319475435.db2.gz INGIEGQUUZWWPJ-ROUUACIJSA-N 3 0 345.531 3.331 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023364882 1319476492 /nfs/dbraw/zinc/47/64/92/1319476492.db2.gz RXUXKYYRHTZEQJ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000817969889 1319481162 /nfs/dbraw/zinc/48/11/62/1319481162.db2.gz HKUSQJFMTUJCTE-ZYSHUDEJSA-N 3 0 333.520 3.458 20 0 EGADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(N2CCCOC2=O)cc1 ZINC000817979988 1319484120 /nfs/dbraw/zinc/48/41/20/1319484120.db2.gz GWWXXCBTQBASEB-RDJZCZTQSA-N 2 0 331.460 3.216 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023402915 1319510193 /nfs/dbraw/zinc/51/01/93/1319510193.db2.gz WPERMNGGTWZRPN-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961373588 1319529442 /nfs/dbraw/zinc/52/94/42/1319529442.db2.gz HZGSPLLBTNCEQL-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961400270 1319555476 /nfs/dbraw/zinc/55/54/76/1319555476.db2.gz FZASSUUUNTYNSY-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961421527 1319579257 /nfs/dbraw/zinc/57/92/57/1319579257.db2.gz NAESWNAJSNSYMU-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961434752 1319588960 /nfs/dbraw/zinc/58/89/60/1319588960.db2.gz HHDUWFGXFNXVNB-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000818959954 1319590019 /nfs/dbraw/zinc/59/00/19/1319590019.db2.gz BIBLIENODWJYEO-ZRGWGRIASA-N 2 0 340.458 3.346 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818961220 1319592502 /nfs/dbraw/zinc/59/25/02/1319592502.db2.gz OJPBNZFJZPRZLD-DAYGRLMNSA-N 2 0 340.458 3.346 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000818967036 1319594879 /nfs/dbraw/zinc/59/48/79/1319594879.db2.gz QFWGWTXTCXUWPI-MLGOLLRUSA-N 2 0 331.287 3.348 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000819102463 1319634101 /nfs/dbraw/zinc/63/41/01/1319634101.db2.gz JTWJYAAETIVBGW-SWLSCSKDSA-N 2 0 332.410 3.305 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000819102278 1319635183 /nfs/dbraw/zinc/63/51/83/1319635183.db2.gz ILNRPYUBNUWFGX-IUODEOHRSA-N 2 0 343.309 3.048 20 0 EGADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1F ZINC000819140057 1319646098 /nfs/dbraw/zinc/64/60/98/1319646098.db2.gz IXTRHSOWYATZEZ-RJYAGPCLSA-N 2 0 338.442 3.385 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646637 1319765688 /nfs/dbraw/zinc/76/56/88/1319765688.db2.gz PCQWTOOMSRDBNE-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000961922082 1319773914 /nfs/dbraw/zinc/77/39/14/1319773914.db2.gz AESXDHCFPWDCNI-KVZIAJEVSA-N 2 0 349.563 3.170 20 0 EGADRP O=C(NC1CC(C[NH2+]CC2CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000962219570 1319864959 /nfs/dbraw/zinc/86/49/59/1319864959.db2.gz DDYLZVHGJZAWKU-AFMYVXGZSA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023763591 1319911528 /nfs/dbraw/zinc/91/15/28/1319911528.db2.gz UREXTHOSFGCESL-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc(C[NH+](C)C)c1 ZINC000820804827 1319955856 /nfs/dbraw/zinc/95/58/56/1319955856.db2.gz ADNNAHXGADGTQH-OAHLLOKOSA-N 2 0 326.440 3.370 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000820807563 1319957246 /nfs/dbraw/zinc/95/72/46/1319957246.db2.gz LGDYCILWAZDSLL-INIZCTEOSA-N 2 0 349.482 3.488 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000822490552 1320087734 /nfs/dbraw/zinc/08/77/34/1320087734.db2.gz WRWOVSKAYAWHRD-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000822766528 1320121840 /nfs/dbraw/zinc/12/18/40/1320121840.db2.gz SPBNESOFCKJLTL-RHSMWYFYSA-N 2 0 326.444 3.393 20 0 EGADRP C[C@@H]1CCCN1CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824098597 1320228834 /nfs/dbraw/zinc/22/88/34/1320228834.db2.gz MMNVBIYIYOCIQB-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841032079 1321204023 /nfs/dbraw/zinc/20/40/23/1321204023.db2.gz JMEAVVGTGPNLHS-UWJYYQICSA-N 3 0 329.532 3.321 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@@H](C)C1 ZINC000841764621 1321309228 /nfs/dbraw/zinc/30/92/28/1321309228.db2.gz XODGPPFZEBTFDJ-YLFCFFPRSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211789 1328947100 /nfs/dbraw/zinc/94/71/00/1328947100.db2.gz AGQFKSAEVPGVKU-UTKZUKDTSA-N 2 0 326.484 3.345 20 0 EGADRP CN(C)C(=O)c1ccccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000841888038 1321326447 /nfs/dbraw/zinc/32/64/47/1321326447.db2.gz UMIIHLRRZOZPJR-UHFFFAOYSA-N 2 0 339.483 3.082 20 0 EGADRP COc1ccccc1NC(=O)C1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000842471953 1321392387 /nfs/dbraw/zinc/39/23/87/1321392387.db2.gz JAJOWSLFGPPVQQ-UHFFFAOYSA-N 2 0 347.503 3.255 20 0 EGADRP COc1ccc(C(=O)C2CC[NH+](CCCCCCC[NH3+])CC2)cc1 ZINC000842471427 1321392568 /nfs/dbraw/zinc/39/25/68/1321392568.db2.gz AUJNOZBVICMLMT-UHFFFAOYSA-N 2 0 332.488 3.499 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2cc1C ZINC000842474217 1321393569 /nfs/dbraw/zinc/39/35/69/1321393569.db2.gz KIRYPKFPHUDFNJ-LPHOPBHVSA-N 2 0 340.467 3.374 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000843048600 1321460891 /nfs/dbraw/zinc/46/08/91/1321460891.db2.gz JQKFRGNQCUHSES-CQSZACIVSA-N 2 0 346.906 3.452 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCCC[NH3+])cc1Cl ZINC000843127002 1321473982 /nfs/dbraw/zinc/47/39/82/1321473982.db2.gz LQQPVXBSTLBBIX-AWEZNQCLSA-N 2 0 325.884 3.474 20 0 EGADRP Cn1cc(C[NH2+]CCCCCC[NH3+])c(-c2cc3ccccc3o2)n1 ZINC000843127903 1321474452 /nfs/dbraw/zinc/47/44/52/1321474452.db2.gz JIXZDTMIVQKRIX-UHFFFAOYSA-N 2 0 326.444 3.442 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000843363539 1321506579 /nfs/dbraw/zinc/50/65/79/1321506579.db2.gz UBDWHLDHAYEHAK-UHFFFAOYSA-N 2 0 340.467 3.103 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000843377593 1321508364 /nfs/dbraw/zinc/50/83/64/1321508364.db2.gz DWDTZNOIPVOJDU-LBPRGKRZSA-N 2 0 343.443 3.001 20 0 EGADRP CCCN(C(=O)C[C@H]([NH3+])C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844173863 1321575800 /nfs/dbraw/zinc/57/58/00/1321575800.db2.gz BAHXXXQBVKQHCJ-PMACEKPBSA-N 2 0 343.515 3.017 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000848888762 1322030522 /nfs/dbraw/zinc/03/05/22/1322030522.db2.gz BJPCEGQEWGFNBU-RXVVDRJESA-N 2 0 329.532 3.268 20 0 EGADRP C[C@@H]1C[C@H](CCNC(=[NH2+])N2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989287 1322056730 /nfs/dbraw/zinc/05/67/30/1322056730.db2.gz LIIWUAWQXOMWTQ-MJGOQNOKSA-N 2 0 328.504 3.297 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)C1 ZINC000848999433 1322057386 /nfs/dbraw/zinc/05/73/86/1322057386.db2.gz FJNNBFISUFUTCE-INIZCTEOSA-N 2 0 328.504 3.475 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCCC1 ZINC000849056729 1322060469 /nfs/dbraw/zinc/06/04/69/1322060469.db2.gz IJBUUPFJASSLQE-GOSISDBHSA-N 2 0 328.504 3.097 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000849054818 1322060522 /nfs/dbraw/zinc/06/05/22/1322060522.db2.gz SQWVZEZFAIFWET-UHFFFAOYSA-N 2 0 336.483 3.405 20 0 EGADRP CC[NH+]1CCC(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000849091538 1322074790 /nfs/dbraw/zinc/07/47/90/1322074790.db2.gz OAAFSGWSJJGNIW-UHFFFAOYSA-N 2 0 342.409 3.051 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=[NH2+])NC2CCC2)C1 ZINC000849110992 1322082440 /nfs/dbraw/zinc/08/24/40/1322082440.db2.gz RIGODOFXFCLBQJ-HOTGVXAUSA-N 2 0 328.504 3.331 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849116356 1322084625 /nfs/dbraw/zinc/08/46/25/1322084625.db2.gz NIJURSGFOAUYLE-GFCCVEGCSA-N 2 0 344.381 3.253 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]Cc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000850432540 1322247566 /nfs/dbraw/zinc/24/75/66/1322247566.db2.gz ZTVGXJYKNPTIGS-UHFFFAOYSA-N 2 0 347.503 3.285 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000850447157 1322251648 /nfs/dbraw/zinc/25/16/48/1322251648.db2.gz HQNAQQYHNAURRJ-WWDZGPRUSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850482698 1322256170 /nfs/dbraw/zinc/25/61/70/1322256170.db2.gz KZSBQOWBLNLDPR-MRXNPFEDSA-N 2 0 334.479 3.237 20 0 EGADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000850541372 1322263346 /nfs/dbraw/zinc/26/33/46/1322263346.db2.gz VTRKLLUTCKYZBV-PXNSSMCTSA-N 2 0 330.520 3.128 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)C1 ZINC000921496536 1322329545 /nfs/dbraw/zinc/32/95/45/1322329545.db2.gz WDYXRYCNNZJWKP-RTBURBONSA-N 2 0 334.529 3.283 20 0 EGADRP C[C@H]1Cc2cc(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)ccc2O1 ZINC000921547342 1322348560 /nfs/dbraw/zinc/34/85/60/1322348560.db2.gz PEQVBGJUMHPBJW-INIZCTEOSA-N 2 0 340.467 3.240 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000921686697 1322378916 /nfs/dbraw/zinc/37/89/16/1322378916.db2.gz OHGHXCVFBJRYSM-UHFFFAOYSA-N 2 0 339.483 3.130 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000922506356 1322544934 /nfs/dbraw/zinc/54/49/34/1322544934.db2.gz YXEIHJDHMBMZCG-UHFFFAOYSA-N 2 0 330.398 3.315 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)o1 ZINC000922844881 1322631708 /nfs/dbraw/zinc/63/17/08/1322631708.db2.gz JHXJMNBQHWJIJM-UHFFFAOYSA-N 2 0 342.487 3.485 20 0 EGADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923295942 1322728137 /nfs/dbraw/zinc/72/81/37/1322728137.db2.gz LAXZPVRFIAPRFP-FPOVZHCZSA-N 2 0 342.483 3.056 20 0 EGADRP FC(F)(F)c1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312758 1322731144 /nfs/dbraw/zinc/73/11/44/1322731144.db2.gz PWTGOKKIFUBLMM-XJKSGUPXSA-N 2 0 340.389 3.221 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1C[C@H](O)Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000923384026 1322743510 /nfs/dbraw/zinc/74/35/10/1322743510.db2.gz QTSRIVFWFSLIOR-DYESRHJHSA-N 2 0 338.495 3.207 20 0 EGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1)C1CCCC1 ZINC000923423523 1322749099 /nfs/dbraw/zinc/74/90/99/1322749099.db2.gz XIHARZROWQGTOF-CDHQVMDDSA-N 2 0 334.479 3.479 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000931118514 1329055048 /nfs/dbraw/zinc/05/50/48/1329055048.db2.gz VICUVPQOCSQVRR-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000931123364 1329055537 /nfs/dbraw/zinc/05/55/37/1329055537.db2.gz DWUGWIMBOLZUJE-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000924578529 1323060550 /nfs/dbraw/zinc/06/05/50/1323060550.db2.gz BBAKXRDPBKRZRI-NHCUHLMSSA-N 2 0 340.515 3.243 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001024018748 1323080625 /nfs/dbraw/zinc/08/06/25/1323080625.db2.gz SFWOZMFEEUIPMM-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024040389 1323091238 /nfs/dbraw/zinc/09/12/38/1323091238.db2.gz HEVQWFMOUPNNGT-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000924673826 1323106136 /nfs/dbraw/zinc/10/61/36/1323106136.db2.gz YSSAKSKTSATWIH-FUHIMQAGSA-N 2 0 343.515 3.208 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnnn1-c1ccccc1 ZINC000924681608 1323110450 /nfs/dbraw/zinc/11/04/50/1323110450.db2.gz POUWJEQYZVDLHP-SFHVURJKSA-N 2 0 341.503 3.430 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000924710057 1323127050 /nfs/dbraw/zinc/12/70/50/1323127050.db2.gz FNIODWNBLVJXFQ-UHFFFAOYSA-N 2 0 344.547 3.146 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C(=O)NCc1ccccc1 ZINC000924825091 1323178685 /nfs/dbraw/zinc/17/86/85/1323178685.db2.gz BJAYETVYEMWERX-DLBZAZTESA-N 2 0 339.483 3.104 20 0 EGADRP CC(C)n1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000924871214 1323193916 /nfs/dbraw/zinc/19/39/16/1323193916.db2.gz WPZOAUIXAXODQZ-OAHLLOKOSA-N 2 0 347.532 3.483 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000963158366 1323220968 /nfs/dbraw/zinc/22/09/68/1323220968.db2.gz XBKFHCUHAXBBCJ-MHJFOBGBSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924961540 1323228619 /nfs/dbraw/zinc/22/86/19/1323228619.db2.gz AEQHCEJRUPVWTK-KBPBESRZSA-N 2 0 339.886 3.388 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1F ZINC000852870749 1323249746 /nfs/dbraw/zinc/24/97/46/1323249746.db2.gz XGVICVWUEVPAID-GOSISDBHSA-N 2 0 327.403 3.060 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccn1 ZINC000853098273 1323281106 /nfs/dbraw/zinc/28/11/06/1323281106.db2.gz LWIGCTDELDJTBU-NRFANRHFSA-N 2 0 339.483 3.281 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024436258 1323396482 /nfs/dbraw/zinc/39/64/82/1323396482.db2.gz AUTWWCNFQAPBIA-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024436642 1323396650 /nfs/dbraw/zinc/39/66/50/1323396650.db2.gz GIILTAKNXAGHQU-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024470401 1323424635 /nfs/dbraw/zinc/42/46/35/1323424635.db2.gz ZMHSLHXJWVHHNX-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024524768 1323470464 /nfs/dbraw/zinc/47/04/64/1323470464.db2.gz ZWCUFYQWYGBOIV-MOPGFXCFSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCCC2)CC1 ZINC001024634757 1323559962 /nfs/dbraw/zinc/55/99/62/1323559962.db2.gz XQGXLSVRIADNIP-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001024801237 1323704102 /nfs/dbraw/zinc/70/41/02/1323704102.db2.gz LMMMILBAXPLLAS-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811606 1323713082 /nfs/dbraw/zinc/71/30/82/1323713082.db2.gz VBJWHMJAKPXMND-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811597 1323714397 /nfs/dbraw/zinc/71/43/97/1323714397.db2.gz VBJWHMJAKPXMND-FXAWDEMLSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025003581 1323821906 /nfs/dbraw/zinc/82/19/06/1323821906.db2.gz SZEOPOOZSNKBSE-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)C[C@@H]2C1 ZINC000931440229 1329118219 /nfs/dbraw/zinc/11/82/19/1329118219.db2.gz RVMWXRMFADPYNN-SJORKVTESA-N 2 0 345.487 3.417 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)[NH+](C)C ZINC001025073551 1323875637 /nfs/dbraw/zinc/87/56/37/1323875637.db2.gz KZTIZLIGOTZXAO-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001025168762 1323937094 /nfs/dbraw/zinc/93/70/94/1323937094.db2.gz UQWGBJZJUDYKNZ-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239180 1324030472 /nfs/dbraw/zinc/03/04/72/1324030472.db2.gz CJOOBCVKUPTEAQ-MSOLQXFVSA-N 2 0 335.536 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CCC1CC1)C1CCC1 ZINC001025240338 1324033979 /nfs/dbraw/zinc/03/39/79/1324033979.db2.gz NMSRAECHGVPIIT-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC000931482616 1329128286 /nfs/dbraw/zinc/12/82/86/1329128286.db2.gz ZNFLQMGUYWXPLL-UHFFFAOYSA-N 2 0 330.497 3.304 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527031 1324371691 /nfs/dbraw/zinc/37/16/91/1324371691.db2.gz DEJZFMBCXMPWME-PXNSSMCTSA-N 2 0 345.531 3.031 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001025630759 1324482892 /nfs/dbraw/zinc/48/28/92/1324482892.db2.gz VRUTXLNJOJSGAQ-DLBZAZTESA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026507656 1324855633 /nfs/dbraw/zinc/85/56/33/1324855633.db2.gz YNYQZIOGVVUHTE-SOAGJPPSSA-N 2 0 349.563 3.457 20 0 EGADRP Cc1cc(C[NH2+]C2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)cs1 ZINC001026561299 1324896784 /nfs/dbraw/zinc/89/67/84/1324896784.db2.gz VASQPGMJTPISKK-RWBZWWBESA-N 2 0 349.544 3.058 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCCCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001026598942 1324923892 /nfs/dbraw/zinc/92/38/92/1324923892.db2.gz CZJZGINGXGZXMR-GRERDSQWSA-N 2 0 347.547 3.070 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2CCC([NH2+]CCC3CC3)CC2)c1 ZINC001026609504 1324930443 /nfs/dbraw/zinc/93/04/43/1324930443.db2.gz JBNBFEYVEYPBKU-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000925118095 1325052636 /nfs/dbraw/zinc/05/26/36/1325052636.db2.gz RBVPRJLXCZHSQV-GOSISDBHSA-N 2 0 348.874 3.263 20 0 EGADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925227523 1325087838 /nfs/dbraw/zinc/08/78/38/1325087838.db2.gz USZDKZPSJSLGKT-LONFEIEESA-N 2 0 336.545 3.479 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307513 1325089283 /nfs/dbraw/zinc/08/92/83/1325089283.db2.gz YXGVFDQKDRWANE-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001026957234 1325105627 /nfs/dbraw/zinc/10/56/27/1325105627.db2.gz DHKNBPXMMPPYJK-IAGOWNOFSA-N 2 0 348.450 3.147 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963329223 1325113408 /nfs/dbraw/zinc/11/34/08/1325113408.db2.gz XCUKRQXJEBCKEV-HKUYNNGSSA-N 2 0 340.471 3.061 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328705 1325113434 /nfs/dbraw/zinc/11/34/34/1325113434.db2.gz RTRWEPYXSUGLMH-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCCNC(=O)c2ccc(F)cc2)CC1 ZINC000925382342 1325136595 /nfs/dbraw/zinc/13/65/95/1325136595.db2.gz AAEOCXPEJZEUCB-UHFFFAOYSA-N 2 0 349.494 3.046 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027014414 1325155533 /nfs/dbraw/zinc/15/55/33/1325155533.db2.gz BMWUSJOXWUDFDS-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP c1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)OCCCO2 ZINC000925480249 1325169150 /nfs/dbraw/zinc/16/91/50/1325169150.db2.gz JHMLDDAKYGATFS-MSOLQXFVSA-N 2 0 330.472 3.106 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)c2)c1 ZINC000925494225 1325177158 /nfs/dbraw/zinc/17/71/58/1325177158.db2.gz JGJSAVRMMQZPKA-NHCUHLMSSA-N 2 0 338.499 3.189 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000925523110 1325189339 /nfs/dbraw/zinc/18/93/39/1325189339.db2.gz WPLZIJZGTGKEIL-DOIVMEMASA-N 3 0 327.516 3.004 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925524326 1325190245 /nfs/dbraw/zinc/19/02/45/1325190245.db2.gz RORKZOVLHBDOQH-RTWAWAEBSA-N 2 0 338.499 3.189 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925566747 1325213144 /nfs/dbraw/zinc/21/31/44/1325213144.db2.gz FWWTUTNHIGYULU-PMACEKPBSA-N 2 0 342.483 3.113 20 0 EGADRP CC[C@H]([NH2+]C)c1nc(-c2ccc(OCC[NH+](CC)CC)cc2)no1 ZINC000854144692 1325218798 /nfs/dbraw/zinc/21/87/98/1325218798.db2.gz DZEZUDDBZPIAHJ-INIZCTEOSA-N 2 0 332.448 3.128 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001027105622 1325229752 /nfs/dbraw/zinc/22/97/52/1325229752.db2.gz OWHSYWVVDWPDLX-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963420090 1325229970 /nfs/dbraw/zinc/22/99/70/1325229970.db2.gz HLXGAZTXEVNHPX-QLOJAFMTSA-N 2 0 349.563 3.409 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925628712 1325237669 /nfs/dbraw/zinc/23/76/69/1325237669.db2.gz HPJNYVPJYJHUMT-RTWAWAEBSA-N 2 0 338.499 3.345 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001027150763 1325254030 /nfs/dbraw/zinc/25/40/30/1325254030.db2.gz JUGRHEFVWMYTGQ-LJQANCHMSA-N 2 0 347.547 3.045 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925666751 1325256135 /nfs/dbraw/zinc/25/61/35/1325256135.db2.gz QXWWZGRLZMZUKF-RTBURBONSA-N 2 0 327.516 3.161 20 0 EGADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1 ZINC000925673068 1325256977 /nfs/dbraw/zinc/25/69/77/1325256977.db2.gz LYMNQFKNDAJQRE-MJGOQNOKSA-N 2 0 327.447 3.474 20 0 EGADRP C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925671098 1325257005 /nfs/dbraw/zinc/25/70/05/1325257005.db2.gz QMCSWXVROFZIFV-YWZLYKJASA-N 2 0 330.447 3.142 20 0 EGADRP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(C[NH+](C)C)c3)CC2)n[nH]1 ZINC000926241897 1325489562 /nfs/dbraw/zinc/48/95/62/1325489562.db2.gz ZQZSOQIZGOPQQN-MRXNPFEDSA-N 2 0 341.503 3.099 20 0 EGADRP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926248387 1325491024 /nfs/dbraw/zinc/49/10/24/1325491024.db2.gz ANKHDBQLZROXKY-UWJYYQICSA-N 2 0 326.484 3.311 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)C1 ZINC000856742932 1325518615 /nfs/dbraw/zinc/51/86/15/1325518615.db2.gz QRYQRWKKFLMTIF-HXUWFJFHSA-N 2 0 343.515 3.102 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857140681 1325579438 /nfs/dbraw/zinc/57/94/38/1325579438.db2.gz BGYRMROJVQGXSR-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)CN(CC[NH+](C)C)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857156842 1325584841 /nfs/dbraw/zinc/58/48/41/1325584841.db2.gz YQWLAVMKVXXPJM-FQEVSTJZSA-N 2 0 345.531 3.156 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027430377 1327668631 /nfs/dbraw/zinc/66/86/31/1327668631.db2.gz RVPFWGYTVWFRSK-QGZVFWFLSA-N 2 0 349.544 3.146 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027433691 1327674574 /nfs/dbraw/zinc/67/45/74/1327674574.db2.gz BQXMJELFFPNYRD-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000927070407 1327840214 /nfs/dbraw/zinc/84/02/14/1327840214.db2.gz ZWQLXLZESJYOBM-JXFKEZNVSA-N 2 0 344.503 3.408 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577755 1327914214 /nfs/dbraw/zinc/91/42/14/1327914214.db2.gz SKMNEFQSNJJNFL-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CC3CCCCCC3)C2)C1 ZINC001027576533 1327914343 /nfs/dbraw/zinc/91/43/43/1327914343.db2.gz QNPWRAACKYJLNX-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965812295 1328036311 /nfs/dbraw/zinc/03/63/11/1328036311.db2.gz AWBPOFAOARAMRJ-FCOWATRHSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027693466 1328099303 /nfs/dbraw/zinc/09/93/03/1328099303.db2.gz ZCEKXUXBVUUARC-IBGZPJMESA-N 2 0 343.515 3.085 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC000965916376 1328103812 /nfs/dbraw/zinc/10/38/12/1328103812.db2.gz VYDXKAIAGDJMLR-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027918260 1328397969 /nfs/dbraw/zinc/39/79/69/1328397969.db2.gz LNNYTUDOQVPVSU-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCc1nn(C)cc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718428 1329732102 /nfs/dbraw/zinc/73/21/02/1329732102.db2.gz ZHMSQKJEMGNLAA-UHFFFAOYSA-N 2 0 340.515 3.374 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486905 1348553978 /nfs/dbraw/zinc/55/39/78/1348553978.db2.gz QMOKTYMKQVQQFN-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1)CC1CC1 ZINC000935215941 1330035924 /nfs/dbraw/zinc/03/59/24/1330035924.db2.gz NOGSCMJYQINUGU-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000866306288 1330093688 /nfs/dbraw/zinc/09/36/88/1330093688.db2.gz DASCMBHDLSONFH-XUVXKRRUSA-N 2 0 332.463 3.171 20 0 EGADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000866706027 1330143578 /nfs/dbraw/zinc/14/35/78/1330143578.db2.gz FGASUHMGRUBWOO-SFHVURJKSA-N 2 0 347.894 3.118 20 0 EGADRP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)CC1(C)C ZINC000941186286 1331376384 /nfs/dbraw/zinc/37/63/84/1331376384.db2.gz IATWKAHPSZHNQD-SFHVURJKSA-N 2 0 346.519 3.058 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)C)CC2(C)C)o1 ZINC000941244758 1331409309 /nfs/dbraw/zinc/40/93/09/1331409309.db2.gz NYDWEZDJQAOTEE-SFHVURJKSA-N 2 0 349.519 3.360 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258547 1331889934 /nfs/dbraw/zinc/88/99/34/1331889934.db2.gz PULGTHJNZAMLAP-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530487 1331958892 /nfs/dbraw/zinc/95/88/92/1331958892.db2.gz SLCSHNJFVRHUEA-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556102 1331971858 /nfs/dbraw/zinc/97/18/58/1331971858.db2.gz VQHXVJDUPOEBGG-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597020 1331995659 /nfs/dbraw/zinc/99/56/59/1331995659.db2.gz HXSAMRBSQNAGGT-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946615558 1332863543 /nfs/dbraw/zinc/86/35/43/1332863543.db2.gz NYEIHQUCBIVDCN-YSTOQKLRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623892 1332865112 /nfs/dbraw/zinc/86/51/12/1332865112.db2.gz SDWZJTWEPUOLON-ZCNNSNEGSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947474086 1333142433 /nfs/dbraw/zinc/14/24/33/1333142433.db2.gz QGWREVRRANMNSY-NVXWUHKLSA-N 2 0 340.471 3.192 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC1CCCC1 ZINC000947726605 1333242100 /nfs/dbraw/zinc/24/21/00/1333242100.db2.gz RFHFKBZQBXYMBH-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCC1 ZINC000947774789 1333258039 /nfs/dbraw/zinc/25/80/39/1333258039.db2.gz GKCNWSCTBPVYPM-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCC1 ZINC000948038765 1333349496 /nfs/dbraw/zinc/34/94/96/1333349496.db2.gz BGFFDHHTLSWGKX-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056588 1333357990 /nfs/dbraw/zinc/35/79/90/1333357990.db2.gz LTDUVXOOLALZBG-FXAWDEMLSA-N 2 0 343.515 3.297 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC000948064406 1333360994 /nfs/dbraw/zinc/36/09/94/1333360994.db2.gz CAVUZHUNHNLNNJ-APWZRJJASA-N 2 0 343.515 3.131 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948243660 1333439075 /nfs/dbraw/zinc/43/90/75/1333439075.db2.gz BSLGBTZJWAWNKD-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC000948386075 1333504252 /nfs/dbraw/zinc/50/42/52/1333504252.db2.gz SKFMCYXMSYRRNO-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000948574344 1333582696 /nfs/dbraw/zinc/58/26/96/1333582696.db2.gz FILLMZOSIXEVMO-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591241 1333587592 /nfs/dbraw/zinc/58/75/92/1333587592.db2.gz TUUURKXWHKHYDR-QGZVFWFLSA-N 2 0 328.460 3.061 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594439 1333588735 /nfs/dbraw/zinc/58/87/35/1333588735.db2.gz MENNHKLHFNDQCV-IRXDYDNUSA-N 2 0 346.450 3.009 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829517 1333701561 /nfs/dbraw/zinc/70/15/61/1333701561.db2.gz PBWSKWPAHZTOQX-RTBURBONSA-N 2 0 337.552 3.362 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000948858641 1333711645 /nfs/dbraw/zinc/71/16/45/1333711645.db2.gz MZMAMTUAXWCKIT-UXHICEINSA-N 2 0 343.515 3.156 20 0 EGADRP CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000950616186 1334097794 /nfs/dbraw/zinc/09/77/94/1334097794.db2.gz SURYFTWAIKWYGQ-QUCCMNQESA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378675 1335910274 /nfs/dbraw/zinc/91/02/74/1335910274.db2.gz RMASRTQULDKLAY-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417290 1335924461 /nfs/dbraw/zinc/92/44/61/1335924461.db2.gz FEFRCHAHGGFDBC-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(C)C)CC[C@H]2C)o1 ZINC000968688696 1336012220 /nfs/dbraw/zinc/01/22/20/1336012220.db2.gz NHYHZFCKIABTIZ-AEFFLSMTSA-N 2 0 349.519 3.218 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC000968738433 1336033363 /nfs/dbraw/zinc/03/33/63/1336033363.db2.gz VQJUZPUEOOEPEP-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934182 1336095228 /nfs/dbraw/zinc/09/52/28/1336095228.db2.gz OSQDYCIMYCPRJS-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970528725 1336317825 /nfs/dbraw/zinc/31/78/25/1336317825.db2.gz JGKCRAJZCMLAFN-FXAWDEMLSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205602575 1370807221 /nfs/dbraw/zinc/80/72/21/1370807221.db2.gz JYBAEMBJNHOAER-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001005869566 1336413264 /nfs/dbraw/zinc/41/32/64/1336413264.db2.gz ADVSUSNHJATVFV-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001005883779 1336415627 /nfs/dbraw/zinc/41/56/27/1336415627.db2.gz GUGUWOBVVPDIDB-WMZOPIPTSA-N 2 0 337.552 3.076 20 0 EGADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005995938 1336435488 /nfs/dbraw/zinc/43/54/88/1336435488.db2.gz AJNKITOTVWHMBK-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006084115 1336449645 /nfs/dbraw/zinc/44/96/45/1336449645.db2.gz MUUUQNFEKVGQFJ-PKOBYXMFSA-N 2 0 337.552 3.218 20 0 EGADRP CC1CCC(C[NH+]2CCC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001006294087 1336485036 /nfs/dbraw/zinc/48/50/36/1336485036.db2.gz KNXWVAWYSWNJDH-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006438906 1336506298 /nfs/dbraw/zinc/50/62/98/1336506298.db2.gz MPNGYWOZCVXUAR-UHFFFAOYSA-N 2 0 343.515 3.251 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007458339 1336651178 /nfs/dbraw/zinc/65/11/78/1336651178.db2.gz WFISSIARJNAFAW-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001007500819 1336658285 /nfs/dbraw/zinc/65/82/85/1336658285.db2.gz VUDAEOGCIAHUHG-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007500848 1336658406 /nfs/dbraw/zinc/65/84/06/1336658406.db2.gz WCURWXOTILAMNU-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007499165 1336658920 /nfs/dbraw/zinc/65/89/20/1336658920.db2.gz OLSXSLZVCGPFHR-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007498690 1336658970 /nfs/dbraw/zinc/65/89/70/1336658970.db2.gz LOESSXNLCINIGL-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007751553 1336694630 /nfs/dbraw/zinc/69/46/30/1336694630.db2.gz ZYWKZSXVTLEXIL-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001007946943 1336737311 /nfs/dbraw/zinc/73/73/11/1336737311.db2.gz FUDKXDZXHXYZCJ-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008299050 1336817649 /nfs/dbraw/zinc/81/76/49/1336817649.db2.gz MDQVYZZVRACFBX-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001008549973 1336879309 /nfs/dbraw/zinc/87/93/09/1336879309.db2.gz IEWUZJOOJVUOHC-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001009635814 1337050925 /nfs/dbraw/zinc/05/09/25/1337050925.db2.gz MMZJQQVHNQVQRF-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680161 1337059009 /nfs/dbraw/zinc/05/90/09/1337059009.db2.gz FMVAZJPRWLCRNI-IAGOWNOFSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014415571 1337771113 /nfs/dbraw/zinc/77/11/13/1337771113.db2.gz VMLOZZKVMFBHNC-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001014426349 1337775095 /nfs/dbraw/zinc/77/50/95/1337775095.db2.gz QYBWIVDCYOPUDT-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001014706754 1337877121 /nfs/dbraw/zinc/87/71/21/1337877121.db2.gz ROMQQMRWDNMOJV-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001014720239 1337882817 /nfs/dbraw/zinc/88/28/17/1337882817.db2.gz CMSZLPQTDJFMTM-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001015791872 1338312352 /nfs/dbraw/zinc/31/23/52/1338312352.db2.gz OJFVABVSEQFXTA-ROUUACIJSA-N 2 0 349.544 3.010 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016615798 1338664891 /nfs/dbraw/zinc/66/48/91/1338664891.db2.gz XSAKJOFPBQMPDZ-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016619653 1338666471 /nfs/dbraw/zinc/66/64/71/1338666471.db2.gz BWGKXYKQCCVBKA-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016651417 1338679363 /nfs/dbraw/zinc/67/93/63/1338679363.db2.gz HHWNPHCNNVZGPO-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016860988 1338750874 /nfs/dbraw/zinc/75/08/74/1338750874.db2.gz MDYKFMDAURLPCW-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016861682 1338750934 /nfs/dbraw/zinc/75/09/34/1338750934.db2.gz PEIVSPDGWJQQCT-RBUKOAKNSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862346 1338751145 /nfs/dbraw/zinc/75/11/45/1338751145.db2.gz WMTGRLGOLZVCGQ-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC1 ZINC001016863798 1338751853 /nfs/dbraw/zinc/75/18/53/1338751853.db2.gz VTALFJPSGHDLPZ-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924164 1338771478 /nfs/dbraw/zinc/77/14/78/1338771478.db2.gz RKLBXEVNHZTCFZ-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017153359 1338903432 /nfs/dbraw/zinc/90/34/32/1338903432.db2.gz DRLIJPLPXQXPJH-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCC3)C2)CC1 ZINC001017239705 1338971683 /nfs/dbraw/zinc/97/16/83/1338971683.db2.gz HVNWNCBOCFVYEM-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001028088789 1340417749 /nfs/dbraw/zinc/41/77/49/1340417749.db2.gz PSLMCCTXQJFKPP-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094389 1340422307 /nfs/dbraw/zinc/42/23/07/1340422307.db2.gz YPMLBNAOJFARBU-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCCC2)CC[N@@H+]1C ZINC001028096654 1340424297 /nfs/dbraw/zinc/42/42/97/1340424297.db2.gz BDSYMXWDOLTHPV-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137428 1340449793 /nfs/dbraw/zinc/44/97/93/1340449793.db2.gz JLXAYKFLHFRMTE-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181272 1340471683 /nfs/dbraw/zinc/47/16/83/1340471683.db2.gz PZTJSILZHGNVGY-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001028334223 1340571254 /nfs/dbraw/zinc/57/12/54/1340571254.db2.gz YADOUAYHAINYKV-SFHVURJKSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001028335070 1340572508 /nfs/dbraw/zinc/57/25/08/1340572508.db2.gz NLCGUFUEWCKBAO-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001028549702 1340696122 /nfs/dbraw/zinc/69/61/22/1340696122.db2.gz VRMMLQMVQBKHCO-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001028756151 1340791359 /nfs/dbraw/zinc/79/13/59/1340791359.db2.gz YBNUHPIEZSLAEZ-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029013204 1340909623 /nfs/dbraw/zinc/90/96/23/1340909623.db2.gz VGSYJDXQUPQGEE-SJORKVTESA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001029134316 1340939253 /nfs/dbraw/zinc/93/92/53/1340939253.db2.gz SCZDRMPSMOGIRT-FXAWDEMLSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001029134317 1340939340 /nfs/dbraw/zinc/93/93/40/1340939340.db2.gz SCZDRMPSMOGIRT-PXNSSMCTSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001029144515 1340942481 /nfs/dbraw/zinc/94/24/81/1340942481.db2.gz WEBXKOZYYRAEGL-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001029145949 1340942732 /nfs/dbraw/zinc/94/27/32/1340942732.db2.gz FUEUSSPYHOQEEB-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCC(C)CC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001029173955 1340948626 /nfs/dbraw/zinc/94/86/26/1340948626.db2.gz UBGRRFWRZCUCLC-XBMUEBEBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029739486 1341059335 /nfs/dbraw/zinc/05/93/35/1341059335.db2.gz JKTQIWPNBYTYSS-PKOBYXMFSA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C[N@H+](C)CC3CC(C)(C)C3)CC2)CCC1 ZINC001029969975 1341138853 /nfs/dbraw/zinc/13/88/53/1341138853.db2.gz GCUUIRXEFIUVNX-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001030019339 1341159731 /nfs/dbraw/zinc/15/97/31/1341159731.db2.gz YTBJXYDLLWDBBJ-GJYPPUQNSA-N 2 0 349.494 3.054 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001031254457 1341304293 /nfs/dbraw/zinc/30/42/93/1341304293.db2.gz SLTPKRCBOUASHB-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001031708015 1341391621 /nfs/dbraw/zinc/39/16/21/1341391621.db2.gz JZPTUDLOYAZFGG-UHFFFAOYSA-N 2 0 349.544 3.052 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001031715591 1341392061 /nfs/dbraw/zinc/39/20/61/1341392061.db2.gz WSEZAGPMOCEWJP-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001031925767 1341423015 /nfs/dbraw/zinc/42/30/15/1341423015.db2.gz NLTHOSMNWNSLAS-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001032117321 1341457872 /nfs/dbraw/zinc/45/78/72/1341457872.db2.gz ATYAQZRUHMVKLP-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001032205632 1341472901 /nfs/dbraw/zinc/47/29/01/1341472901.db2.gz DGMUHHOYAFGULJ-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032432766 1341511452 /nfs/dbraw/zinc/51/14/52/1341511452.db2.gz ANTYRFHKLIOZJG-SLFFLAALSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)(C)C ZINC001032488491 1341521778 /nfs/dbraw/zinc/52/17/78/1341521778.db2.gz ISJYIFFKTHBCBB-ROUUACIJSA-N 2 0 349.563 3.361 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1)[NH+]1CCCCCC1 ZINC001032664801 1341576100 /nfs/dbraw/zinc/57/61/00/1341576100.db2.gz SQQRKQQFSJJVLI-IHPCNDPISA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395360 1341812126 /nfs/dbraw/zinc/81/21/26/1341812126.db2.gz IDXPHHIKYANNMT-UXHICEINSA-N 2 0 343.515 3.012 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472182 1341839898 /nfs/dbraw/zinc/83/98/98/1341839898.db2.gz SMOXEIRSTXBXSQ-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033472049 1341840372 /nfs/dbraw/zinc/84/03/72/1341840372.db2.gz RCSKUJGMGKHCHY-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033570508 1341878489 /nfs/dbraw/zinc/87/84/89/1341878489.db2.gz BAGWVHYANNQWBV-MOPGFXCFSA-N 2 0 335.536 3.140 20 0 EGADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033581713 1341882331 /nfs/dbraw/zinc/88/23/31/1341882331.db2.gz LSGXWEGUQVQKAU-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033856689 1342046826 /nfs/dbraw/zinc/04/68/26/1342046826.db2.gz VOZBFFYERVZCFD-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033856685 1342047203 /nfs/dbraw/zinc/04/72/03/1342047203.db2.gz VOZBFFYERVZCFD-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034202732 1342313327 /nfs/dbraw/zinc/31/33/27/1342313327.db2.gz ANKSNTRSKHSTJM-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001034210776 1342320425 /nfs/dbraw/zinc/32/04/25/1342320425.db2.gz JNVAQZLTPJYWQX-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034239212 1342340544 /nfs/dbraw/zinc/34/05/44/1342340544.db2.gz JCEVWTOLKJQOEW-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001034257760 1342351603 /nfs/dbraw/zinc/35/16/03/1342351603.db2.gz LSZFJZJDOPLFIX-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034290820 1342376622 /nfs/dbraw/zinc/37/66/22/1342376622.db2.gz LSXCXWIFFMOSTQ-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292464 1342377063 /nfs/dbraw/zinc/37/70/63/1342377063.db2.gz RKZRQZHWMLDBQX-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332387 1342406800 /nfs/dbraw/zinc/40/68/00/1342406800.db2.gz YLOOTVJDOOVERG-LJQANCHMSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001034339519 1342413771 /nfs/dbraw/zinc/41/37/71/1342413771.db2.gz HWEZFKUIGOVVPD-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001034340631 1342414718 /nfs/dbraw/zinc/41/47/18/1342414718.db2.gz RYPQFJGQBINKDR-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360471 1342432534 /nfs/dbraw/zinc/43/25/34/1342432534.db2.gz IYCZNPUPWIQNIA-IEBWSBKVSA-N 2 0 335.536 3.163 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001034363543 1342434549 /nfs/dbraw/zinc/43/45/49/1342434549.db2.gz ONYYJHPUEJOKEE-IHPCNDPISA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001034378419 1342448807 /nfs/dbraw/zinc/44/88/07/1342448807.db2.gz SDFZCFXRKLAUMV-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034395443 1342463488 /nfs/dbraw/zinc/46/34/88/1342463488.db2.gz ZHQCFOOHUQPPIK-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034397198 1342465448 /nfs/dbraw/zinc/46/54/48/1342465448.db2.gz JIQLAHFIHNXRHN-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405852 1342469864 /nfs/dbraw/zinc/46/98/64/1342469864.db2.gz VQPRBMBPZLIGPO-FQEVSTJZSA-N 2 0 345.531 3.175 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001034437036 1342499243 /nfs/dbraw/zinc/49/92/43/1342499243.db2.gz CUNKFBDUOXWBMS-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034485017 1342542971 /nfs/dbraw/zinc/54/29/71/1342542971.db2.gz ACKHVTZBIQKJEJ-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034490638 1342546972 /nfs/dbraw/zinc/54/69/72/1342546972.db2.gz MKDIKTAFDUUKDZ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034490029 1342547449 /nfs/dbraw/zinc/54/74/49/1342547449.db2.gz IDCCJYROCYPKDJ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001034526202 1342583309 /nfs/dbraw/zinc/58/33/09/1342583309.db2.gz VQSTXQJEUOMQGG-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001034649712 1342669802 /nfs/dbraw/zinc/66/98/02/1342669802.db2.gz QVZCQRBZNZZRFC-LWYYNNOASA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001034703994 1342701875 /nfs/dbraw/zinc/70/18/75/1342701875.db2.gz HJQNQVCTXBREKR-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)c1 ZINC001034957164 1342852644 /nfs/dbraw/zinc/85/26/44/1342852644.db2.gz KQGSGZYOZTYFDT-IEBWSBKVSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034959083 1342853827 /nfs/dbraw/zinc/85/38/27/1342853827.db2.gz RAUYDWWDQAQPKZ-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP Cc1c(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2)ccc2c[nH+]cn21 ZINC001034979015 1342862564 /nfs/dbraw/zinc/86/25/64/1342862564.db2.gz ZGYMTNRRHLRBIV-GOSISDBHSA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001035071224 1342911928 /nfs/dbraw/zinc/91/19/28/1342911928.db2.gz RBKUJECRYPVPKV-MSOLQXFVSA-N 2 0 349.544 3.092 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035102674 1342927418 /nfs/dbraw/zinc/92/74/18/1342927418.db2.gz ZWNKKLBMSWWFNC-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001035134797 1342950575 /nfs/dbraw/zinc/95/05/75/1342950575.db2.gz TUKIGCJQROUPHE-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035742031 1343163138 /nfs/dbraw/zinc/16/31/38/1343163138.db2.gz TXWFHFMJBMSVQX-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035826915 1343217088 /nfs/dbraw/zinc/21/70/88/1343217088.db2.gz XRPQUXPBZMWTOA-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036193337 1343356557 /nfs/dbraw/zinc/35/65/57/1343356557.db2.gz MKNHYQAUTZROOJ-HKUYNNGSSA-N 2 0 347.547 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH2+]C(C)C)C2)o1 ZINC001036474576 1343505166 /nfs/dbraw/zinc/50/51/66/1343505166.db2.gz SDNOVEUBGOYHKX-IRXDYDNUSA-N 2 0 349.519 3.360 20 0 EGADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036573042 1343560145 /nfs/dbraw/zinc/56/01/45/1343560145.db2.gz QPDLCPYABCAWTJ-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]C(C)C)o1 ZINC001036601565 1343571181 /nfs/dbraw/zinc/57/11/81/1343571181.db2.gz WHWJNFLGGSJSAU-AEFFLSMTSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731719 1343661219 /nfs/dbraw/zinc/66/12/19/1343661219.db2.gz YGHHSEUIHKKLED-DOTOQJQBSA-N 2 0 349.544 3.002 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001037017996 1343932730 /nfs/dbraw/zinc/93/27/30/1343932730.db2.gz NSBBLJBLYYMEIO-NVXWUHKLSA-N 2 0 349.544 3.098 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037104414 1343975500 /nfs/dbraw/zinc/97/55/00/1343975500.db2.gz UELGUCHTKZAILI-OALUTQOASA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCC2)c1 ZINC001037121733 1343978853 /nfs/dbraw/zinc/97/88/53/1343978853.db2.gz PFQWHRVWBZYZQQ-VQTJNVASSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001037238594 1344061413 /nfs/dbraw/zinc/06/14/13/1344061413.db2.gz YUUXEBIYURXYJU-MOPGFXCFSA-N 2 0 331.504 3.035 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037240242 1344062569 /nfs/dbraw/zinc/06/25/69/1344062569.db2.gz WGJCZKKEOAPENL-UXHICEINSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1[NH2+]C(C)C ZINC001037888667 1344163516 /nfs/dbraw/zinc/16/35/16/1344163516.db2.gz ZHABPIHSBBYQAE-YLJYHZDGSA-N 2 0 345.531 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038321480 1344379057 /nfs/dbraw/zinc/37/90/57/1344379057.db2.gz MSMRJSCEFILXHJ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038442996 1344429410 /nfs/dbraw/zinc/42/94/10/1344429410.db2.gz FXCLPPLGIKTNSA-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521441 1344464268 /nfs/dbraw/zinc/46/42/68/1344464268.db2.gz XSLIBQADLLUYDT-VQTJNVASSA-N 2 0 348.450 3.290 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001039047285 1344733509 /nfs/dbraw/zinc/73/35/09/1344733509.db2.gz CTOYXZUKUNXTPY-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137313 1344817045 /nfs/dbraw/zinc/81/70/45/1344817045.db2.gz GIKSRQICSFOKAJ-PMACEKPBSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039166852 1344852782 /nfs/dbraw/zinc/85/27/82/1344852782.db2.gz GOESQJNDKFSDLQ-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039216648 1344933228 /nfs/dbraw/zinc/93/32/28/1344933228.db2.gz CEKDJKGRCQDADS-MJGOQNOKSA-N 2 0 340.471 3.061 20 0 EGADRP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039281068 1344994946 /nfs/dbraw/zinc/99/49/46/1344994946.db2.gz JKYBDHVUABXRIQ-KOQQBVACSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373481 1345032540 /nfs/dbraw/zinc/03/25/40/1345032540.db2.gz XAJBGMHCNBFQEA-AABGKKOBSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040205214 1345375162 /nfs/dbraw/zinc/37/51/62/1345375162.db2.gz OWYXHMGJUWLYCH-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237007 1345389190 /nfs/dbraw/zinc/38/91/90/1345389190.db2.gz PXKSYUKKHJRFEY-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC1CCC1)C2)[NH+](C)C ZINC001040260209 1345399268 /nfs/dbraw/zinc/39/92/68/1345399268.db2.gz CEISZCABNJDZAA-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040346333 1345444793 /nfs/dbraw/zinc/44/47/93/1345444793.db2.gz BQSOHOOMWVIWDA-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387595 1345471001 /nfs/dbraw/zinc/47/10/01/1345471001.db2.gz DTVSYLBLSNMGRS-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040396968 1345476035 /nfs/dbraw/zinc/47/60/35/1345476035.db2.gz XHXXKDRKTQTSPS-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040912234 1345598868 /nfs/dbraw/zinc/59/88/68/1345598868.db2.gz MQOJQYWWZMMFSL-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(C2)CC[NH+](CC)CC3)o1 ZINC001040950747 1345607427 /nfs/dbraw/zinc/60/74/27/1345607427.db2.gz BJHOQVAOLSIVHE-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2)[NH+]1CCCCC1 ZINC001040950956 1345608280 /nfs/dbraw/zinc/60/82/80/1345608280.db2.gz BWHXBIZGYMUHJP-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCCC3)C2)C1)[NH+](C)C ZINC001041694855 1345821190 /nfs/dbraw/zinc/82/11/90/1345821190.db2.gz ZYBREJZFPAWWLT-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297104 1346021799 /nfs/dbraw/zinc/02/17/99/1346021799.db2.gz LYRVNTCLJMIEMH-UYAOXDASSA-N 2 0 349.563 3.076 20 0 EGADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001043880885 1346218366 /nfs/dbraw/zinc/21/83/66/1346218366.db2.gz SZSJSYACVVMCBM-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]CC3CCC3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001044662198 1346395740 /nfs/dbraw/zinc/39/57/40/1346395740.db2.gz YEEMOYLCGSDHMZ-RHSMWYFYSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044742539 1346418429 /nfs/dbraw/zinc/41/84/29/1346418429.db2.gz HXEUSHQVSQNXKU-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)c1 ZINC001045070859 1346489605 /nfs/dbraw/zinc/48/96/05/1346489605.db2.gz ZVWOOSKTIFJXMK-XLIONFOSSA-N 2 0 343.515 3.121 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045167460 1346513669 /nfs/dbraw/zinc/51/36/69/1346513669.db2.gz YDZZPFTYDOMIPL-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045229557 1346536372 /nfs/dbraw/zinc/53/63/72/1346536372.db2.gz PWYQOUUJJUBYFC-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001045229797 1346536454 /nfs/dbraw/zinc/53/64/54/1346536454.db2.gz VITTXGFGEIDSFK-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001045389159 1346580865 /nfs/dbraw/zinc/58/08/65/1346580865.db2.gz GNGQQIUVIKEVSS-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001045437813 1346593668 /nfs/dbraw/zinc/59/36/68/1346593668.db2.gz FCZVKVWXUVHRPV-IBGZPJMESA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045461199 1346599161 /nfs/dbraw/zinc/59/91/61/1346599161.db2.gz RRBZSRUSHJNFHK-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001045492325 1346608138 /nfs/dbraw/zinc/60/81/38/1346608138.db2.gz FYGPVYZEKVYVTM-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045557506 1346628756 /nfs/dbraw/zinc/62/87/56/1346628756.db2.gz MXPUNYXSEPAZMR-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045944778 1346780418 /nfs/dbraw/zinc/78/04/18/1346780418.db2.gz IFHQEUYUVAFEJE-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCC(C)C)C2)C1)[NH+](C)C ZINC001045948302 1346783485 /nfs/dbraw/zinc/78/34/85/1346783485.db2.gz XSHVVCMVSZMNMT-UYAOXDASSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001045986145 1346826676 /nfs/dbraw/zinc/82/66/76/1346826676.db2.gz HYYXKQPXDQWIQW-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046198578 1346885868 /nfs/dbraw/zinc/88/58/68/1346885868.db2.gz VXXNXUPKTCNNBA-AZUAARDMSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046314290 1346930999 /nfs/dbraw/zinc/93/09/99/1346930999.db2.gz AXRZALJCFNLNLC-CTNGQTDRSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@]1(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](CC2CCC2)C1 ZINC001046317007 1346931969 /nfs/dbraw/zinc/93/19/69/1346931969.db2.gz DGLCBAIBXTVIRW-NQIIRXRSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001046329427 1346936061 /nfs/dbraw/zinc/93/60/61/1346936061.db2.gz OROBQNSSOQLZRW-QFUCXCTJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+](CCCC2CCC2)C1 ZINC001046449470 1346978089 /nfs/dbraw/zinc/97/80/89/1346978089.db2.gz FIORAGCAOUFYLI-FQEVSTJZSA-N 2 0 340.471 3.109 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046705729 1347068579 /nfs/dbraw/zinc/06/85/79/1347068579.db2.gz DGSXGVCWQAIBTL-NRFANRHFSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048257896 1347504481 /nfs/dbraw/zinc/50/44/81/1347504481.db2.gz ZNXANIVVDYXIBT-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538253 1347583773 /nfs/dbraw/zinc/58/37/73/1347583773.db2.gz NNVRPWNKLUSCOU-UHZRXMQZSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049654004 1347956916 /nfs/dbraw/zinc/95/69/16/1347956916.db2.gz FOOJXBFMNCARLL-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC=C(C)C)C1 ZINC001049664484 1347963257 /nfs/dbraw/zinc/96/32/57/1347963257.db2.gz QLMZQQJPKNICFG-ZCNNSNEGSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001049764523 1348009552 /nfs/dbraw/zinc/00/95/52/1348009552.db2.gz DFUVHMFUJVNMDX-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913994 1348108834 /nfs/dbraw/zinc/10/88/34/1348108834.db2.gz LCCJICDJAXBJBM-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919230 1348112071 /nfs/dbraw/zinc/11/20/71/1348112071.db2.gz OBIICRWHTVZVPH-VQTJNVASSA-N 2 0 343.515 3.227 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21)[NH+](C)C ZINC001050144630 1348194692 /nfs/dbraw/zinc/19/46/92/1348194692.db2.gz LLJISAODRRHHCW-BTHPGYMESA-N 2 0 343.515 3.011 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc([C@@H](C)[NH2+]CC)cc2)C1 ZINC001050269951 1348223823 /nfs/dbraw/zinc/22/38/23/1348223823.db2.gz KLIQLBYYLLAWNC-VQIMIIECSA-N 2 0 331.504 3.095 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001050331225 1348229189 /nfs/dbraw/zinc/22/91/89/1348229189.db2.gz IKFFEVZTDHCCPZ-KOMQPUFPSA-N 2 0 337.533 3.096 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050333530 1348229570 /nfs/dbraw/zinc/22/95/70/1348229570.db2.gz XLBGJRBGYJIZNW-UFYCRDLUSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001050366917 1348240103 /nfs/dbraw/zinc/24/01/03/1348240103.db2.gz BZOVWYVBDANCAV-KESTWPANSA-N 2 0 345.531 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050765240 1348352261 /nfs/dbraw/zinc/35/22/61/1348352261.db2.gz MRBJIORZMNSNCT-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447426 1348543950 /nfs/dbraw/zinc/54/39/50/1348543950.db2.gz DVMPCZOZZBSVFN-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052713449 1348645900 /nfs/dbraw/zinc/64/59/00/1348645900.db2.gz XNRBFJPHAULENL-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052717077 1348646276 /nfs/dbraw/zinc/64/62/76/1348646276.db2.gz SJJFZARBRPQWTB-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787042 1348679249 /nfs/dbraw/zinc/67/92/49/1348679249.db2.gz HEZWLBWXNSXSTO-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857139 1348704357 /nfs/dbraw/zinc/70/43/57/1348704357.db2.gz IMKQOUDQEJJMEX-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053037359 1348837677 /nfs/dbraw/zinc/83/76/77/1348837677.db2.gz ZBHIRUZLKGAKKZ-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053742 1348859070 /nfs/dbraw/zinc/85/90/70/1348859070.db2.gz BUJIIKHMQXGPBD-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054183036 1349186128 /nfs/dbraw/zinc/18/61/28/1349186128.db2.gz WRBUVJDONCUWIC-TZIWHRDSSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245139 1349238320 /nfs/dbraw/zinc/23/83/20/1349238320.db2.gz OYVIGABTVTVPDF-TZIWHRDSSA-N 2 0 349.563 3.223 20 0 EGADRP CCC(CC)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259310 1349255195 /nfs/dbraw/zinc/25/51/95/1349255195.db2.gz UKJCKYROADPTTI-HXUWFJFHSA-N 2 0 343.515 3.149 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001054970659 1349531484 /nfs/dbraw/zinc/53/14/84/1349531484.db2.gz HDZMOZSODFXSMY-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318487 1357572568 /nfs/dbraw/zinc/57/25/68/1357572568.db2.gz UJWZOXZRMDPRSI-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001080623668 1357704423 /nfs/dbraw/zinc/70/44/23/1357704423.db2.gz INBZPPXIGIGBGG-VQIMIIECSA-N 2 0 345.531 3.235 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001183138151 1387268713 /nfs/dbraw/zinc/26/87/13/1387268713.db2.gz NUGGEGPRYVINNO-UYAOXDASSA-N 2 0 339.568 3.371 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984773 1358936847 /nfs/dbraw/zinc/93/68/47/1358936847.db2.gz MXHPKRZARICBRH-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071735085 1354887760 /nfs/dbraw/zinc/88/77/60/1354887760.db2.gz GBYJPHIXJXNZDI-SJLPKXTDSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821591 1354961572 /nfs/dbraw/zinc/96/15/72/1354961572.db2.gz QNELPZWCOKWHPX-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1=CCCCC1 ZINC001071873264 1354998376 /nfs/dbraw/zinc/99/83/76/1354998376.db2.gz UDTIKTHOGOMWCG-PXNSSMCTSA-N 2 0 347.547 3.188 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CCCCC3)C2)CC1 ZINC001071931481 1355031630 /nfs/dbraw/zinc/03/16/30/1355031630.db2.gz WCRZXGBAHADTNE-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCCC1CCCC1 ZINC001072081382 1355118841 /nfs/dbraw/zinc/11/88/41/1355118841.db2.gz KRKXHMQOSMOKMF-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099425 1355129070 /nfs/dbraw/zinc/12/90/70/1355129070.db2.gz QOBDNPHKDKEAIU-MJGOQNOKSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC1CCCCCC1)C2)[NH+](C)C ZINC001072850965 1355464950 /nfs/dbraw/zinc/46/49/50/1355464950.db2.gz GINHYPCTIHIONL-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)[NH+]1CCCCCC1 ZINC001073035728 1355563740 /nfs/dbraw/zinc/56/37/40/1355563740.db2.gz PVRLNNASBUNDGU-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001094243331 1361758473 /nfs/dbraw/zinc/75/84/73/1361758473.db2.gz XWDYJDGNMAHORG-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001074045161 1356050792 /nfs/dbraw/zinc/05/07/92/1356050792.db2.gz AVZNQDOMPOGMST-MISYRCLQSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001074063679 1356062223 /nfs/dbraw/zinc/06/22/23/1356062223.db2.gz QGRFTJNZDDQUFM-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001074100122 1356083123 /nfs/dbraw/zinc/08/31/23/1356083123.db2.gz RPTCMVCJNGKVTR-UYAOXDASSA-N 2 0 343.515 3.156 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C)c1ccccc1 ZINC001074687008 1356224611 /nfs/dbraw/zinc/22/46/11/1356224611.db2.gz GWXLGRSVMKKWFU-VDGAXYAQSA-N 2 0 343.515 3.201 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C)c1ccc(F)cc1 ZINC001074709503 1356227982 /nfs/dbraw/zinc/22/79/82/1356227982.db2.gz FOSWXYNJOUUCMC-KLIQENQMSA-N 2 0 349.494 3.196 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)CC1 ZINC001075452816 1356387785 /nfs/dbraw/zinc/38/77/85/1356387785.db2.gz QOYXPOBDSSYKKT-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001075461967 1356396099 /nfs/dbraw/zinc/39/60/99/1356396099.db2.gz XTXFYBJPBZIEIF-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459666 1363332707 /nfs/dbraw/zinc/33/27/07/1363332707.db2.gz PASGJOJRXVTHGT-XLNTUCKNSA-N 2 0 343.515 3.129 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183255684 1387286494 /nfs/dbraw/zinc/28/64/94/1387286494.db2.gz NHZLRCDPLWBUKX-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001323142414 1387300257 /nfs/dbraw/zinc/30/02/57/1387300257.db2.gz IZTXJKJFUPJWIA-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCC1CC1 ZINC001082699687 1358077828 /nfs/dbraw/zinc/07/78/28/1358077828.db2.gz PYLLTPUBSULWML-NSISKUIASA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001183496297 1387313274 /nfs/dbraw/zinc/31/32/74/1387313274.db2.gz HBNWBKYQRXLEIE-WIYYLYMNSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517293 1387315978 /nfs/dbraw/zinc/31/59/78/1387315978.db2.gz YWTOAWSLSYZYMD-YCIUYBBHSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001183760351 1387344750 /nfs/dbraw/zinc/34/47/50/1387344750.db2.gz VMBQVMWLZGIIKR-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597646 1358624428 /nfs/dbraw/zinc/62/44/28/1358624428.db2.gz CFMNDOKRGRCHCL-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1CC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782064 1358756718 /nfs/dbraw/zinc/75/67/18/1358756718.db2.gz MFKBXWBOJJGLGL-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086253620 1359042949 /nfs/dbraw/zinc/04/29/49/1359042949.db2.gz NVFCVWOQLGAVJN-VNTMZGSJSA-N 2 0 347.547 3.092 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086534159 1359135080 /nfs/dbraw/zinc/13/50/80/1359135080.db2.gz SIRMINBPTABSSD-UAFMIMERSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086696645 1359187931 /nfs/dbraw/zinc/18/79/31/1359187931.db2.gz UQCPPFFBEOWYOK-GBESFXJTSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001086786176 1359201131 /nfs/dbraw/zinc/20/11/31/1359201131.db2.gz MWQSXLQOCMFBIL-PBWTXFEYSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@@H]1CC2(CN1C(=O)[C@H]1CCC[N@@H+]1C)CC[NH+](CCC(C)(C)C)CC2 ZINC001086910440 1359238141 /nfs/dbraw/zinc/23/81/41/1359238141.db2.gz TWPKTTFJQOVABP-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939655 1359261949 /nfs/dbraw/zinc/26/19/49/1359261949.db2.gz WLZJGOQKNHOBRE-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939653 1359262180 /nfs/dbraw/zinc/26/21/80/1359262180.db2.gz WLZJGOQKNHOBRE-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942099 1359263758 /nfs/dbraw/zinc/26/37/58/1359263758.db2.gz IWXPVYMILKULLD-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@H+](C)C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086956612 1359277804 /nfs/dbraw/zinc/27/78/04/1359277804.db2.gz RHFAFIMJFJGDLH-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CCC1 ZINC001087602274 1359550133 /nfs/dbraw/zinc/55/01/33/1359550133.db2.gz ICMGFTAGJMZIFF-CEXWTWQISA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCC(C)(C)C ZINC001087699964 1359598626 /nfs/dbraw/zinc/59/86/26/1359598626.db2.gz URNWESJCGSJKTB-XLAORIBOSA-N 2 0 337.552 3.122 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001323617496 1387409196 /nfs/dbraw/zinc/40/91/96/1387409196.db2.gz YBXDGRAPDZREDV-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840543 1359674278 /nfs/dbraw/zinc/67/42/78/1359674278.db2.gz BWVBATHRCXDVAQ-OTWHNJEPSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839624 1359674322 /nfs/dbraw/zinc/67/43/22/1359674322.db2.gz LQHQPEKFGOTPEW-CEXWTWQISA-N 2 0 349.494 3.079 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001088381770 1359865124 /nfs/dbraw/zinc/86/51/24/1359865124.db2.gz MDEBYAAWJNFGAW-HXUWFJFHSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CC3CCC3)C2)CC1 ZINC001088408090 1359879650 /nfs/dbraw/zinc/87/96/50/1359879650.db2.gz MUGHUJRHDQCYSS-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)[NH+]1CCCCC1 ZINC001088431219 1359898756 /nfs/dbraw/zinc/89/87/56/1359898756.db2.gz MZSSLLIRODMYLK-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001088567412 1359976656 /nfs/dbraw/zinc/97/66/56/1359976656.db2.gz MNGDJZYLNRNVTM-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001088621627 1359993730 /nfs/dbraw/zinc/99/37/30/1359993730.db2.gz MNXUCEWXYXRDKE-HOJAQTOUSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001088792047 1360046210 /nfs/dbraw/zinc/04/62/10/1360046210.db2.gz RUTVHARQLPEPCK-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088810314 1360059537 /nfs/dbraw/zinc/05/95/37/1360059537.db2.gz XPWQTYDDAVZTAR-HOJAQTOUSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)[C@@H]2C)CC1 ZINC001088952006 1360112146 /nfs/dbraw/zinc/11/21/46/1360112146.db2.gz SSUURZZJPGXGPZ-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCC2)CC[N@@H+]1C ZINC001089180436 1360230200 /nfs/dbraw/zinc/23/02/00/1360230200.db2.gz RLMRJHFKYNKMNO-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089426203 1360418935 /nfs/dbraw/zinc/41/89/35/1360418935.db2.gz IINGVZIKBTZKAY-MRXNPFEDSA-N 2 0 342.487 3.273 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430820 1360422895 /nfs/dbraw/zinc/42/28/95/1360422895.db2.gz USZVNINWWSEDHR-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089538226 1360496603 /nfs/dbraw/zinc/49/66/03/1360496603.db2.gz VGTRLFZQWHQODC-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558194 1360506429 /nfs/dbraw/zinc/50/64/29/1360506429.db2.gz FPEGRMOVUNIUHE-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663984 1360574184 /nfs/dbraw/zinc/57/41/84/1360574184.db2.gz BSXUDVZDPPUQEC-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089721020 1360623572 /nfs/dbraw/zinc/62/35/72/1360623572.db2.gz CDSKFZMIDSKCTC-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089734181 1360638482 /nfs/dbraw/zinc/63/84/82/1360638482.db2.gz LDPZLVMTZTZSEJ-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001091198409 1361004780 /nfs/dbraw/zinc/00/47/80/1361004780.db2.gz GCIIJRJBQPLHQX-GPJFCIFZSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091378923 1361068694 /nfs/dbraw/zinc/06/86/94/1361068694.db2.gz ZETLGXRALUUQSF-SOAGJPPSSA-N 2 0 347.547 3.236 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302041 1361358981 /nfs/dbraw/zinc/35/89/81/1361358981.db2.gz QKXPPDHZVOZXTG-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001184710985 1387516370 /nfs/dbraw/zinc/51/63/70/1387516370.db2.gz AUBXVNZYIQNRGV-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093767817 1361693911 /nfs/dbraw/zinc/69/39/11/1361693911.db2.gz DTJQHSBIERNJGA-MISYRCLQSA-N 2 0 347.547 3.044 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528968 1361846127 /nfs/dbraw/zinc/84/61/27/1361846127.db2.gz DPSJFZUNALZYGJ-QWFCFKBJSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001324097250 1387540443 /nfs/dbraw/zinc/54/04/43/1387540443.db2.gz ITIKGVDZTURFDD-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001094933502 1361950096 /nfs/dbraw/zinc/95/00/96/1361950096.db2.gz SQMIECVFXRZVDI-UAGQMJEPSA-N 2 0 349.544 3.048 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001184933589 1387564392 /nfs/dbraw/zinc/56/43/92/1387564392.db2.gz LOFCIZPUPLZATR-RJCMGOLDSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)[NH+]1CCCC1 ZINC001095862509 1362258610 /nfs/dbraw/zinc/25/86/10/1362258610.db2.gz OTOBPOXGNYVIJJ-QYZOEREBSA-N 2 0 345.531 3.083 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)CC[N@@H+]1C ZINC001095921120 1362289070 /nfs/dbraw/zinc/28/90/70/1362289070.db2.gz FHHPEXKBIOCPDN-UVBQOVKKSA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001096313442 1362459948 /nfs/dbraw/zinc/45/99/48/1362459948.db2.gz GSZDOYSRXXTLEM-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001185032174 1387591754 /nfs/dbraw/zinc/59/17/54/1387591754.db2.gz UIHMHUXBXSEWDG-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)CC[N@@H+]1C ZINC001097106026 1362844962 /nfs/dbraw/zinc/84/49/62/1362844962.db2.gz NGTHWAMUZUCWKC-IVDHNXQLSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218822 1362890383 /nfs/dbraw/zinc/89/03/83/1362890383.db2.gz KMPRMUHLEYIUJR-ZRNYENFQSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821403 1363482288 /nfs/dbraw/zinc/48/22/88/1363482288.db2.gz PAKUWSDCRVXCDL-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001098822031 1363482673 /nfs/dbraw/zinc/48/26/73/1363482673.db2.gz VZSUZROYAPNHIO-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CC1)C2 ZINC001098875219 1363501460 /nfs/dbraw/zinc/50/14/60/1363501460.db2.gz PIPDBZCVHWYXQW-ZJOUEHCJSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101003 1363622208 /nfs/dbraw/zinc/62/22/08/1363622208.db2.gz CTFZCEUPFCGQIV-FPOVZHCZSA-N 2 0 347.547 3.044 20 0 EGADRP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)C1CC1 ZINC001099106365 1363625569 /nfs/dbraw/zinc/62/55/69/1363625569.db2.gz DVJDXNMJPWLVMH-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099240517 1363709586 /nfs/dbraw/zinc/70/95/86/1363709586.db2.gz RYBBZDWCJJKHFM-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](F)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310321 1363742919 /nfs/dbraw/zinc/74/29/19/1363742919.db2.gz JTVUMQQDRVMNSN-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001099349012 1363765225 /nfs/dbraw/zinc/76/52/25/1363765225.db2.gz NHBZJBHSCZBMOW-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099548178 1363842121 /nfs/dbraw/zinc/84/21/21/1363842121.db2.gz QZBOQGNEWGYLCV-MUGJNUQGSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100335077 1364082892 /nfs/dbraw/zinc/08/28/92/1364082892.db2.gz JCNBMJZGMGFHIU-VOTSOKGWSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001100426478 1364109980 /nfs/dbraw/zinc/10/99/80/1364109980.db2.gz KFGLNLMDEBEHHO-ACBHZAAOSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2ccccc2F)C1 ZINC001100456867 1364120364 /nfs/dbraw/zinc/12/03/64/1364120364.db2.gz GFGCXQCJBOGWCW-QQFBHYJXSA-N 2 0 349.494 3.101 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100470989 1364126718 /nfs/dbraw/zinc/12/67/18/1364126718.db2.gz KHOKTUKSRMSILR-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C2CC(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001100621285 1364193042 /nfs/dbraw/zinc/19/30/42/1364193042.db2.gz VFWPTANCULKQHE-LMDPOFIKSA-N 2 0 345.531 3.191 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100668686 1364211047 /nfs/dbraw/zinc/21/10/47/1364211047.db2.gz FDMLGKHVWOYOHG-SHPMVIACSA-N 2 0 337.552 3.338 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681902 1364216437 /nfs/dbraw/zinc/21/64/37/1364216437.db2.gz XFHMJXMTWPTNJM-HJWRWDBZSA-N 2 0 337.552 3.195 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100729719 1364238395 /nfs/dbraw/zinc/23/83/95/1364238395.db2.gz LECDMGOEGTXYES-DAWZGUTISA-N 2 0 337.552 3.170 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765910 1364251672 /nfs/dbraw/zinc/25/16/72/1364251672.db2.gz HDTJDQFCDIBXDI-AXHZEUJPSA-N 2 0 337.552 3.194 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C2CC(CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001100887562 1364312961 /nfs/dbraw/zinc/31/29/61/1364312961.db2.gz IJAZPCJGZVQFPP-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001100898733 1364320357 /nfs/dbraw/zinc/32/03/57/1364320357.db2.gz ZUMBQFULOWZWBN-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001100900034 1364321749 /nfs/dbraw/zinc/32/17/49/1364321749.db2.gz MTSRGDOBTJGXJK-LYGPFTKASA-N 2 0 349.494 3.103 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100997044 1364362807 /nfs/dbraw/zinc/36/28/07/1364362807.db2.gz RLHSSTSTFOMTFA-ARJAWSKDSA-N 2 0 335.536 3.093 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001101066866 1364398245 /nfs/dbraw/zinc/39/82/45/1364398245.db2.gz OLWCOFBQIYTHFY-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313596 1364506061 /nfs/dbraw/zinc/50/60/61/1364506061.db2.gz FGDYNBFAZIQWNQ-NSHGMRRFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436802 1364562740 /nfs/dbraw/zinc/56/27/40/1364562740.db2.gz KPECNYOFPINDMI-QUCCMNQESA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487308 1364579428 /nfs/dbraw/zinc/57/94/28/1364579428.db2.gz XQDPRADKWQPPNF-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001101553750 1364615902 /nfs/dbraw/zinc/61/59/02/1364615902.db2.gz NBFCTNDSNLQUEH-UHFFFAOYSA-N 2 0 342.487 3.212 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001101568169 1364623839 /nfs/dbraw/zinc/62/38/39/1364623839.db2.gz QTIWBZXGPJQVLK-UHFFFAOYSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C(C)(C)C[NH2+]CC=C(C)C)CC1)[NH+](C)C ZINC001101576256 1364630521 /nfs/dbraw/zinc/63/05/21/1364630521.db2.gz ZQTKCVBKPGQJEU-SFHVURJKSA-N 2 0 337.552 3.147 20 0 EGADRP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001101595290 1364645482 /nfs/dbraw/zinc/64/54/82/1364645482.db2.gz ADLPRYKDYFHOGX-WAYWQWQTSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102497434 1365086761 /nfs/dbraw/zinc/08/67/61/1365086761.db2.gz SMSKOYMEMJUEQL-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596280 1365130391 /nfs/dbraw/zinc/13/03/91/1365130391.db2.gz XFURADJNVKBHKC-UYAOXDASSA-N 2 0 347.547 3.047 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001185550164 1387745586 /nfs/dbraw/zinc/74/55/86/1387745586.db2.gz STLQUCDBMPTMSS-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001103434869 1365558320 /nfs/dbraw/zinc/55/83/20/1365558320.db2.gz BYVYHEIOEPLIHB-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCC)C[C@H]1C ZINC001103542650 1365623622 /nfs/dbraw/zinc/62/36/22/1365623622.db2.gz RBXGTCMBFPLBAF-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)c1 ZINC001185609584 1387760401 /nfs/dbraw/zinc/76/04/01/1387760401.db2.gz LDJFQKXYHQBIOB-WOJBJXKFSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104312616 1365979322 /nfs/dbraw/zinc/97/93/22/1365979322.db2.gz KJWQSMCYIGJXFP-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362955 1365988132 /nfs/dbraw/zinc/98/81/32/1365988132.db2.gz ROLBJRHRIAGBMA-ZWHYWQQASA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1cccc(F)c1 ZINC001185706866 1387783037 /nfs/dbraw/zinc/78/30/37/1387783037.db2.gz SCHHQICVMKNUMW-CRAIPNDOSA-N 2 0 349.494 3.055 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2(C)CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001324876684 1387801121 /nfs/dbraw/zinc/80/11/21/1387801121.db2.gz QMYLSGBHKRFDND-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@H]2[NH+](C(C)C)CC23CCC3)CC1 ZINC001105393617 1366441880 /nfs/dbraw/zinc/44/18/80/1366441880.db2.gz CWQSGTQNHPCDDU-GOSISDBHSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105558659 1366530308 /nfs/dbraw/zinc/53/03/08/1366530308.db2.gz COLLUNRQVCYIOT-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCCC2)CCC1 ZINC001105560883 1366530751 /nfs/dbraw/zinc/53/07/51/1366530751.db2.gz FHYFQIKVSYHPIL-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105562139 1366531627 /nfs/dbraw/zinc/53/16/27/1366531627.db2.gz XGHWWXSWURDZLL-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563326 1366532889 /nfs/dbraw/zinc/53/28/89/1366532889.db2.gz JYCCIJHIQNMOQZ-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]C(C)C)CCC1 ZINC001105574595 1366539561 /nfs/dbraw/zinc/53/95/61/1366539561.db2.gz BSONPRQTCADTRF-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105576858 1366541365 /nfs/dbraw/zinc/54/13/65/1366541365.db2.gz MOOMMMVKODQIIA-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001106282159 1366643067 /nfs/dbraw/zinc/64/30/67/1366643067.db2.gz VZRMMQMFKJUETH-KURKYZTESA-N 2 0 339.568 3.083 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106321902 1366653317 /nfs/dbraw/zinc/65/33/17/1366653317.db2.gz HINXHIXFBHYUDW-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106370835 1366673675 /nfs/dbraw/zinc/67/36/75/1366673675.db2.gz CDTCIGHERVGHIG-ASIGSXEYSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC)[C@H](C)C1 ZINC001106775561 1366794557 /nfs/dbraw/zinc/79/45/57/1366794557.db2.gz PCUYGEJRZPTUPZ-IPMKNSEASA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410888 1366956204 /nfs/dbraw/zinc/95/62/04/1366956204.db2.gz ZHJYCFHCYYWPMC-ANTGDGSKSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438692 1366963921 /nfs/dbraw/zinc/96/39/21/1366963921.db2.gz GWVMLWONTGFSRI-TZIWHRDSSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC(=O)NC[C@@]1(C)CCC[NH+](CCC2CCCC2)C1)C1CCC1 ZINC001324945625 1387842750 /nfs/dbraw/zinc/84/27/50/1387842750.db2.gz ZVRBGKMPBVFVTB-OAQYLSRUSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495766 1366995106 /nfs/dbraw/zinc/99/51/06/1366995106.db2.gz VSYFPFXKSAJNBX-WIYYLYMNSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524105 1367017506 /nfs/dbraw/zinc/01/75/06/1367017506.db2.gz HXOBKVTZYOKZER-UYAOXDASSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524161 1367017577 /nfs/dbraw/zinc/01/75/77/1367017577.db2.gz KWWKVSVEWMDGHT-RTVDBWQISA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546774 1367036808 /nfs/dbraw/zinc/03/68/08/1367036808.db2.gz PAIAYHONYHYJLK-QKNQBKEWSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)C(C)C ZINC001107582234 1367056110 /nfs/dbraw/zinc/05/61/10/1367056110.db2.gz YRAHZHWOHKHSTG-SFHLNBCPSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598649 1367065422 /nfs/dbraw/zinc/06/54/22/1367065422.db2.gz PFABFSYZHMUTKE-CWHLKURSSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646381 1367090331 /nfs/dbraw/zinc/09/03/31/1367090331.db2.gz HVDFFFXBICOEKZ-SVFBPWRDSA-N 2 0 349.563 3.124 20 0 EGADRP [NH3+]CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccc(F)cc1 ZINC001189754489 1367103317 /nfs/dbraw/zinc/10/33/17/1367103317.db2.gz ROWKRRAJADUTQP-UHFFFAOYSA-N 2 0 345.418 3.010 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399307 1367103929 /nfs/dbraw/zinc/10/39/29/1367103929.db2.gz FYNRIXNHKMQRFV-YRPNKDGESA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419442 1367113108 /nfs/dbraw/zinc/11/31/08/1367113108.db2.gz PTWJVRZWRPAHAL-RDGPPVDQSA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084903 1367169570 /nfs/dbraw/zinc/16/95/70/1367169570.db2.gz TYXVCSMUFKQIAN-YMHTTXFNSA-N 2 0 335.536 3.138 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560749 1367198690 /nfs/dbraw/zinc/19/86/90/1367198690.db2.gz PILRIRWPJDIEPN-RNQOJCNYSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190655153 1367319158 /nfs/dbraw/zinc/31/91/58/1367319158.db2.gz OATPXGRFPTYURY-RBUKOAKNSA-N 2 0 337.552 3.362 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190655152 1367319205 /nfs/dbraw/zinc/31/92/05/1367319205.db2.gz OATPXGRFPTYURY-OALUTQOASA-N 2 0 337.552 3.362 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743219 1367340231 /nfs/dbraw/zinc/34/02/31/1367340231.db2.gz IPAGLQUKLACJBK-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cccc(C)c1 ZINC001109868300 1367370517 /nfs/dbraw/zinc/37/05/17/1367370517.db2.gz KCKULJPMJCZMGB-LMCOJAPRSA-N 2 0 343.515 3.119 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001191020592 1367404157 /nfs/dbraw/zinc/40/41/57/1367404157.db2.gz YLCSFAHSFKWJPP-LJQANCHMSA-N 2 0 345.531 3.066 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001191030225 1367405975 /nfs/dbraw/zinc/40/59/75/1367405975.db2.gz SAFDENFEXYSAIT-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+](C)CC3CCCC3)C2)CCCCC1 ZINC001191542859 1367525234 /nfs/dbraw/zinc/52/52/34/1367525234.db2.gz JGEQZBMNWIITOT-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561697 1367528424 /nfs/dbraw/zinc/52/84/24/1367528424.db2.gz RPFRKNBSHDYQLB-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@H+](C)CC3=CCCCC3)C2)CCCC1 ZINC001191561419 1367528594 /nfs/dbraw/zinc/52/85/94/1367528594.db2.gz MIVABZTYVJXZCF-LJQANCHMSA-N 2 0 347.547 3.284 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001108713870 1367551682 /nfs/dbraw/zinc/55/16/82/1367551682.db2.gz BNVUNUGLKICJBA-SCTDSRPQSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108732897 1367564661 /nfs/dbraw/zinc/56/46/61/1367564661.db2.gz JKSPFESLXZFFRP-FHWLQOOXSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108784126 1367594677 /nfs/dbraw/zinc/59/46/77/1367594677.db2.gz JGGNRHDVCZMTOE-GBGNZALESA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108831460 1367624811 /nfs/dbraw/zinc/62/48/11/1367624811.db2.gz GDUPYYYXXQCUPO-BKFNIVOESA-N 2 0 335.536 3.042 20 0 EGADRP CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191948151 1367646315 /nfs/dbraw/zinc/64/63/15/1367646315.db2.gz MDCGCTSZEBMSSE-RBUKOAKNSA-N 2 0 335.536 3.116 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001192045578 1367673857 /nfs/dbraw/zinc/67/38/57/1367673857.db2.gz GLDWKDHHUKPKLG-RBUKOAKNSA-N 2 0 345.531 3.239 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001192171846 1367707114 /nfs/dbraw/zinc/70/71/14/1367707114.db2.gz WZJNPLXLRCFXPE-XLIONFOSSA-N 2 0 345.531 3.355 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001192317342 1367748587 /nfs/dbraw/zinc/74/85/87/1367748587.db2.gz SBDDNUCFFWDPKO-WOJBJXKFSA-N 2 0 345.531 3.148 20 0 EGADRP C[NH+](CCC1=CCCCC1)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406132 1367774482 /nfs/dbraw/zinc/77/44/82/1367774482.db2.gz BLWYJDGGWQJHBW-IBGZPJMESA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660573 1367903203 /nfs/dbraw/zinc/90/32/03/1367903203.db2.gz FYNRIXNHKMQRFV-NMLBUPMWSA-N 2 0 349.563 3.407 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CCC1 ZINC001110664143 1367905977 /nfs/dbraw/zinc/90/59/77/1367905977.db2.gz HLXDSRGZDBQRDL-ZACQAIPSSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948646 1367910497 /nfs/dbraw/zinc/91/04/97/1367910497.db2.gz UUWUUVZOQRBUBA-RTBURBONSA-N 2 0 349.494 3.151 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110683088 1367925218 /nfs/dbraw/zinc/92/52/18/1367925218.db2.gz PUHHOXUPPQTTIS-MKXGPGLRSA-N 2 0 335.536 3.163 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110684456 1367925998 /nfs/dbraw/zinc/92/59/98/1367925998.db2.gz LDCOSHSVHGWWAG-MKXGPGLRSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684582 1367926482 /nfs/dbraw/zinc/92/64/82/1367926482.db2.gz PTWJVRZWRPAHAL-MKXGPGLRSA-N 2 0 335.536 3.019 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193601151 1368070528 /nfs/dbraw/zinc/07/05/28/1368070528.db2.gz UHELINCXUPUGKZ-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1)[NH+](CC)CC ZINC001111017944 1368143718 /nfs/dbraw/zinc/14/37/18/1368143718.db2.gz HLFIOWPPYHNXRR-ZRNYENFQSA-N 2 0 343.515 3.029 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228046 1368212521 /nfs/dbraw/zinc/21/25/21/1368212521.db2.gz PIWOYIYWLIPABG-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CC1CCCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228048 1368212755 /nfs/dbraw/zinc/21/27/55/1368212755.db2.gz PIZOKBNNQOUMKN-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227944 1368212964 /nfs/dbraw/zinc/21/29/64/1368212964.db2.gz OPNSYWUMQSNOEH-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406964 1368254369 /nfs/dbraw/zinc/25/43/69/1368254369.db2.gz FEEKAXZCXUPODG-DLBZAZTESA-N 2 0 349.519 3.314 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001111454063 1368309844 /nfs/dbraw/zinc/30/98/44/1368309844.db2.gz JJABICUJPBHMAT-AQNXPRMDSA-N 2 0 347.547 3.164 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001186411993 1387937390 /nfs/dbraw/zinc/93/73/90/1387937390.db2.gz GOLUHEPWWRLLFZ-GOSISDBHSA-N 2 0 349.494 3.028 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111753168 1368443438 /nfs/dbraw/zinc/44/34/38/1368443438.db2.gz FTAPRAFYRYAMAS-CLQMDGDTSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782340 1368459350 /nfs/dbraw/zinc/45/93/50/1368459350.db2.gz FBPWVNUDFLZPFN-OMNYCCODSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875256 1368521570 /nfs/dbraw/zinc/52/15/70/1368521570.db2.gz VHCIAQPRMJPXQZ-BCIWSWNRSA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947387 1368570581 /nfs/dbraw/zinc/57/05/81/1368570581.db2.gz FWUSJFOZEJDUAE-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001196373994 1368599861 /nfs/dbraw/zinc/59/98/61/1368599861.db2.gz BHZJDKFAIRTOBU-UHFFFAOYSA-N 2 0 337.552 3.364 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619929 1368651631 /nfs/dbraw/zinc/65/16/31/1368651631.db2.gz PMBIWYKAUHKZIL-DPZZJQGRSA-N 2 0 347.547 3.142 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197142294 1368753306 /nfs/dbraw/zinc/75/33/06/1368753306.db2.gz WMNQQMMXSYHVCE-OEIFXAAASA-N 2 0 337.552 3.388 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197157956 1368756892 /nfs/dbraw/zinc/75/68/92/1368756892.db2.gz BEOAITPIVMAVHQ-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197187295 1368761463 /nfs/dbraw/zinc/76/14/63/1368761463.db2.gz DFCIJPPBEMHZIX-GOSISDBHSA-N 2 0 345.531 3.260 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001112444160 1368859207 /nfs/dbraw/zinc/85/92/07/1368859207.db2.gz HOTORXNNSIIDGB-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197809789 1368903643 /nfs/dbraw/zinc/90/36/43/1368903643.db2.gz INEBUUNWERLDPS-KJYWSYJISA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529596 1368915867 /nfs/dbraw/zinc/91/58/67/1368915867.db2.gz HAADWLJCXXUAPH-LDSQQPLRSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001197870337 1368916006 /nfs/dbraw/zinc/91/60/06/1368916006.db2.gz FIVJWSDWBXMRQI-UHFFFAOYSA-N 2 0 335.536 3.143 20 0 EGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)c(C)c1 ZINC001197871308 1368916625 /nfs/dbraw/zinc/91/66/25/1368916625.db2.gz PZQRJMVDZITGQH-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1)[NH+](C)C ZINC001112531731 1368916906 /nfs/dbraw/zinc/91/69/06/1368916906.db2.gz NYHXSOYLVSONST-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001112548722 1368923518 /nfs/dbraw/zinc/92/35/18/1368923518.db2.gz OBYBHKLGUFJAFG-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001186597111 1387978886 /nfs/dbraw/zinc/97/88/86/1387978886.db2.gz FPIIEUYNRIRQLU-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CC(=O)N1CC[NH+](CC2CCC3(CC3)CC2)CC1)CC(C)(C)C ZINC001113353095 1369364644 /nfs/dbraw/zinc/36/46/44/1369364644.db2.gz LSCPHIJFUOAOAI-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200578560 1369393633 /nfs/dbraw/zinc/39/36/33/1369393633.db2.gz XFPZPWPCSJDLFX-DYIICSRESA-N 2 0 347.547 3.188 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200578263 1369393731 /nfs/dbraw/zinc/39/37/31/1369393731.db2.gz QCJUIQIYKJRFHI-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200893612 1369445249 /nfs/dbraw/zinc/44/52/49/1369445249.db2.gz FYYBYHGACZNUQN-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001186747941 1388003604 /nfs/dbraw/zinc/00/36/04/1388003604.db2.gz NSBAFAHZFJAEAP-GOSISDBHSA-N 2 0 340.471 3.113 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001201326759 1369520649 /nfs/dbraw/zinc/52/06/49/1369520649.db2.gz ATPLQFBKKMKDQM-QGZVFWFLSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)(C)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201434979 1369544989 /nfs/dbraw/zinc/54/49/89/1369544989.db2.gz NOHPNVJBARARLM-CTNGQTDRSA-N 2 0 334.548 3.493 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201503390 1369558434 /nfs/dbraw/zinc/55/84/34/1369558434.db2.gz PDKQQXZTIVQJMM-YYWHXJBOSA-N 2 0 334.548 3.493 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3c(F)c(F)cc(F)c3F)cc[nH+]2)CC1 ZINC001201665718 1369599586 /nfs/dbraw/zinc/59/95/86/1369599586.db2.gz GWURCQYBIVDPJJ-UHFFFAOYSA-N 2 0 340.324 3.133 20 0 EGADRP CNc1ccc(Cl)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667751 1369601380 /nfs/dbraw/zinc/60/13/80/1369601380.db2.gz ICZLIRSDXRMIDG-UHFFFAOYSA-N 2 0 331.851 3.272 20 0 EGADRP C[N@H+](CCC(=O)N1CCC([NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001201818548 1369628278 /nfs/dbraw/zinc/62/82/78/1369628278.db2.gz PERLZMAUIMKZCU-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CCCC(C)C)CC2)C1 ZINC001202145312 1369701119 /nfs/dbraw/zinc/70/11/19/1369701119.db2.gz YWRAQVNHGMVUHP-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202473099 1369782887 /nfs/dbraw/zinc/78/28/87/1369782887.db2.gz FVXMWRLKZJLVEY-GDWUOILNSA-N 2 0 337.552 3.434 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202473100 1369782913 /nfs/dbraw/zinc/78/29/13/1369782913.db2.gz FVXMWRLKZJLVEY-GNISGLHKSA-N 2 0 337.552 3.434 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc2c[nH+]cn21 ZINC001325673279 1388026385 /nfs/dbraw/zinc/02/63/85/1388026385.db2.gz MTMUUJUVENJPBX-KUHUBIRLSA-N 2 0 336.439 3.064 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001202947910 1369933643 /nfs/dbraw/zinc/93/36/43/1369933643.db2.gz ZLFFLDVVBLAVQB-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC001202991736 1369948074 /nfs/dbraw/zinc/94/80/74/1369948074.db2.gz QFQQNMTYMFOTGU-UHFFFAOYSA-N 2 0 345.531 3.034 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]([NH2+]CCC3CCCC3)C23CCC3)CCC1 ZINC001203027534 1369959337 /nfs/dbraw/zinc/95/93/37/1369959337.db2.gz GGJVQGYSADMLFY-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C23CCC3)CCC1 ZINC001203029684 1369960664 /nfs/dbraw/zinc/96/06/64/1369960664.db2.gz UVWMWIXOELUZNS-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1nn(C)c(C)c1CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001203063496 1369970273 /nfs/dbraw/zinc/97/02/73/1369970273.db2.gz IQSHTYZVVRETDP-UHFFFAOYSA-N 2 0 338.499 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203101735 1369983390 /nfs/dbraw/zinc/98/33/90/1369983390.db2.gz GBJBHHNVVPUTRF-DLBZAZTESA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203103862 1369984115 /nfs/dbraw/zinc/98/41/15/1369984115.db2.gz NFCPCSSZJJBJRH-QZTJIDSGSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203105016 1369984679 /nfs/dbraw/zinc/98/46/79/1369984679.db2.gz VIFJWKNBQWWYLM-IRXDYDNUSA-N 2 0 335.536 3.065 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104684 1369984777 /nfs/dbraw/zinc/98/47/77/1369984777.db2.gz SOSLGHIGSJBPMF-XRZRDHLVSA-N 2 0 349.563 3.480 20 0 EGADRP Cc1cncc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)n1 ZINC001203165415 1370006664 /nfs/dbraw/zinc/00/66/64/1370006664.db2.gz GKVBKYGGMVVPCT-IBGZPJMESA-N 2 0 340.471 3.255 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC001203214754 1370027767 /nfs/dbraw/zinc/02/77/67/1370027767.db2.gz OHRLNOOUWUMIDQ-SFHVURJKSA-N 2 0 345.531 3.287 20 0 EGADRP CC(C)[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230664 1370033036 /nfs/dbraw/zinc/03/30/36/1370033036.db2.gz PHRAKTNTTVBLNW-MSOLQXFVSA-N 2 0 335.536 3.066 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]C[C@@H](F)CC)CC1 ZINC001203313216 1370078297 /nfs/dbraw/zinc/07/82/97/1370078297.db2.gz OKBSYKIOZRDYDV-KRWDZBQOSA-N 2 0 343.531 3.217 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]C/C=C/Cl)CC1 ZINC001203313806 1370078396 /nfs/dbraw/zinc/07/83/96/1370078396.db2.gz UFOCCDLFOKWXIC-UXBLZVDNSA-N 2 0 343.943 3.222 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001203355061 1370095444 /nfs/dbraw/zinc/09/54/44/1370095444.db2.gz KNOGQWRUHVLNID-INIZCTEOSA-N 2 0 346.519 3.024 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828591 1370101081 /nfs/dbraw/zinc/10/10/81/1370101081.db2.gz GUDRXCNFFBEADA-ZGXWSNOMSA-N 2 0 349.563 3.124 20 0 EGADRP COc1cccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1OC ZINC001203449899 1370130467 /nfs/dbraw/zinc/13/04/67/1370130467.db2.gz YEPYSKJLFYQSHM-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203554888 1370167514 /nfs/dbraw/zinc/16/75/14/1370167514.db2.gz GNXBBQHFFQUZSR-RBUKOAKNSA-N 2 0 349.563 3.170 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203641219 1370198234 /nfs/dbraw/zinc/19/82/34/1370198234.db2.gz PMVUQKYQQZNMCO-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203741173 1370243852 /nfs/dbraw/zinc/24/38/52/1370243852.db2.gz GREPXORULUVLJK-ZWKOTPCHSA-N 2 0 335.536 3.070 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)C)C[C@H]21 ZINC001115102973 1370281350 /nfs/dbraw/zinc/28/13/50/1370281350.db2.gz BMAYEQGAJBIYPO-WCIQWLHISA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001203876196 1370297448 /nfs/dbraw/zinc/29/74/48/1370297448.db2.gz ILTSNNUDXLRDNQ-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001203903796 1370308004 /nfs/dbraw/zinc/30/80/04/1370308004.db2.gz NQRAEQLBCGKAAQ-RURPWVQCSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)CC1 ZINC001203999335 1370344384 /nfs/dbraw/zinc/34/43/84/1370344384.db2.gz BDMHCJWXKVZBDC-UHFFFAOYSA-N 2 0 337.511 3.299 20 0 EGADRP COCC[C@H]1CCCC[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268255 1370427276 /nfs/dbraw/zinc/42/72/76/1370427276.db2.gz HCPZCHYQTRPXJP-LJQANCHMSA-N 2 0 334.504 3.408 20 0 EGADRP c1nc2n(c1C[NH+](C1CCCCC1)C1CCCCC1)CC[NH2+]CC2 ZINC001204611220 1370530055 /nfs/dbraw/zinc/53/00/55/1370530055.db2.gz GLOFZOWFZKDICC-UHFFFAOYSA-N 2 0 330.520 3.496 20 0 EGADRP C[NH+](C)Cc1ccc(-c2nc(C[NH3+])ccc2NC(=O)C(C)(C)C)cc1 ZINC001204620160 1370531491 /nfs/dbraw/zinc/53/14/91/1370531491.db2.gz IYENVAASXVDFDO-UHFFFAOYSA-N 2 0 340.471 3.254 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@]34CC[NH2+][C@@H]3COCC4)cc2)cc1 ZINC001204631588 1370533856 /nfs/dbraw/zinc/53/38/56/1370533856.db2.gz IPSZVJJYSCPTNU-FGZHOGPDSA-N 2 0 336.479 3.435 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001187232135 1388078084 /nfs/dbraw/zinc/07/80/84/1388078084.db2.gz WABLBKDRCZYLER-KUMUZEIWSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115563607 1370563074 /nfs/dbraw/zinc/56/30/74/1370563074.db2.gz XWZXVJQCHFETAC-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001115591908 1370592980 /nfs/dbraw/zinc/59/29/80/1370592980.db2.gz KKJHYZQZBWWPJT-RTBURBONSA-N 2 0 347.547 3.212 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115596647 1370597292 /nfs/dbraw/zinc/59/72/92/1370597292.db2.gz PQICQPIOFXXYPJ-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001115630246 1370623878 /nfs/dbraw/zinc/62/38/78/1370623878.db2.gz GLOXFXZNRKKXPK-UHFFFAOYSA-N 2 0 340.471 3.157 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648411 1370637069 /nfs/dbraw/zinc/63/70/69/1370637069.db2.gz PDBUXLGFLSXPSO-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc3cc(Br)ccc3n2)CC1 ZINC001205047500 1370638010 /nfs/dbraw/zinc/63/80/10/1370638010.db2.gz WROUDBOTPSSYOF-UHFFFAOYSA-N 2 0 334.261 3.168 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)Cc2ccccc21 ZINC001205164503 1370667080 /nfs/dbraw/zinc/66/70/80/1370667080.db2.gz GUVFZOGNZKZBQN-SFHVURJKSA-N 2 0 335.495 3.211 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696026 1370677394 /nfs/dbraw/zinc/67/73/94/1370677394.db2.gz BMQBYQXMNKRSIN-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC1 ZINC001205219244 1370685265 /nfs/dbraw/zinc/68/52/65/1370685265.db2.gz BBABXWWTDYLFJQ-HXUWFJFHSA-N 2 0 328.431 3.168 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCCC2CCCC2)CCCCC1 ZINC001115708240 1370687595 /nfs/dbraw/zinc/68/75/95/1370687595.db2.gz VYFTYVKMWSMNJS-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242594 1370692841 /nfs/dbraw/zinc/69/28/41/1370692841.db2.gz RYYAUUDSEIWWRW-ZMBJWTFHSA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283739 1370705550 /nfs/dbraw/zinc/70/55/50/1370705550.db2.gz FGSBIHLIRYFKFF-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)[C@H]([NH3+])Cc1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001205287641 1370707555 /nfs/dbraw/zinc/70/75/55/1370707555.db2.gz YHTNYUQMGGBYMQ-INDWDQIESA-N 2 0 341.459 3.114 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1)[NH+](CC)CC ZINC001115726925 1370707683 /nfs/dbraw/zinc/70/76/83/1370707683.db2.gz XSSFXFQNPLSQJW-IVOILVROSA-N 2 0 343.943 3.268 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115730250 1370712877 /nfs/dbraw/zinc/71/28/77/1370712877.db2.gz GVLVTFFBHRBEES-HKUYNNGSSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115760592 1370744550 /nfs/dbraw/zinc/74/45/50/1370744550.db2.gz OFKCESFXFHJKGJ-IBGZPJMESA-N 2 0 349.563 3.458 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001115777155 1370760002 /nfs/dbraw/zinc/76/00/02/1370760002.db2.gz DDTIPOQWRSBILZ-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115778586 1370761792 /nfs/dbraw/zinc/76/17/92/1370761792.db2.gz GZALRYRPDUSSRJ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469498 1370764922 /nfs/dbraw/zinc/76/49/22/1370764922.db2.gz IHOGLVNOZCGWPY-WAYWQWQTSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205545643 1370787043 /nfs/dbraw/zinc/78/70/43/1370787043.db2.gz KZSSKUKOWACVMO-VQTJNVASSA-N 3 0 333.495 3.052 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001205579633 1370798839 /nfs/dbraw/zinc/79/88/39/1370798839.db2.gz PLPYNYQIUUZWSY-HXUWFJFHSA-N 2 0 343.446 3.314 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001205578608 1370798937 /nfs/dbraw/zinc/79/89/37/1370798937.db2.gz GVCSIOVOKPMBEO-KRWDZBQOSA-N 2 0 336.842 3.179 20 0 EGADRP C[N@H+](C1CCOCC1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599554 1370805960 /nfs/dbraw/zinc/80/59/60/1370805960.db2.gz STDNNLJITAKUHS-UHFFFAOYSA-N 2 0 327.472 3.243 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205617852 1370813164 /nfs/dbraw/zinc/81/31/64/1370813164.db2.gz OORVKVQBBPCZDD-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CC[C@@H]1C[NH3+] ZINC001205625220 1370816454 /nfs/dbraw/zinc/81/64/54/1370816454.db2.gz ACCYLEQZFQFSTP-WDEREUQCSA-N 2 0 346.422 3.221 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205629457 1370817218 /nfs/dbraw/zinc/81/72/18/1370817218.db2.gz YXUMXPSYMRRLFV-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205638855 1370822733 /nfs/dbraw/zinc/82/27/33/1370822733.db2.gz SPBIGHZZZWHNII-TZMCWYRMSA-N 2 0 341.293 3.265 20 0 EGADRP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1O ZINC001205651190 1370827596 /nfs/dbraw/zinc/82/75/96/1370827596.db2.gz AZALHDOUDOOKJD-DGCLKSJQSA-N 2 0 341.293 3.270 20 0 EGADRP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Br ZINC001205654967 1370830902 /nfs/dbraw/zinc/83/09/02/1370830902.db2.gz YSAUETFCUINACN-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001205725568 1370852216 /nfs/dbraw/zinc/85/22/16/1370852216.db2.gz IOFHFGMKEARNRS-NRFANRHFSA-N 2 0 346.515 3.321 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205769463 1370865022 /nfs/dbraw/zinc/86/50/22/1370865022.db2.gz YUQHFYWUXFWSKU-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981700 1370929097 /nfs/dbraw/zinc/92/90/97/1370929097.db2.gz FLXRFPKUYKAAIW-NRSPTQNISA-N 3 0 329.532 3.205 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001116540937 1370933635 /nfs/dbraw/zinc/93/36/35/1370933635.db2.gz UTYBVPMTEPHBMA-QGZVFWFLSA-N 2 0 349.588 3.444 20 0 EGADRP COc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC001326039621 1388103482 /nfs/dbraw/zinc/10/34/82/1388103482.db2.gz RYTPAMLEFWOLSX-PWRODBHTSA-N 2 0 343.515 3.174 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1OCC1CC1 ZINC001206003556 1370935602 /nfs/dbraw/zinc/93/56/02/1370935602.db2.gz JRKIFXFNGPZFJG-QAPCUYQASA-N 2 0 332.488 3.291 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206005915 1370936548 /nfs/dbraw/zinc/93/65/48/1370936548.db2.gz DUDFNDJDKGEIBJ-XJDXJNMNSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206012089 1370937991 /nfs/dbraw/zinc/93/79/91/1370937991.db2.gz ITRDKSSIVLYWQN-KBPBESRZSA-N 2 0 325.884 3.329 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206023196 1370940906 /nfs/dbraw/zinc/94/09/06/1370940906.db2.gz DOGONAJMVDRFTA-HOCLYGCPSA-N 2 0 332.879 3.333 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c[nH]c2c1 ZINC001206036864 1370945154 /nfs/dbraw/zinc/94/51/54/1370945154.db2.gz SANVBKRSTGORSR-GDBMZVCRSA-N 2 0 343.471 3.151 20 0 EGADRP C[C@H]1C[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CCC[C@@H]1C[NH3+] ZINC001206036698 1370945328 /nfs/dbraw/zinc/94/53/28/1370945328.db2.gz OEZPGUSNDNKDDN-NWDGAFQWSA-N 2 0 340.393 3.389 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CCC[C@H]1C[NH3+] ZINC001206037512 1370945834 /nfs/dbraw/zinc/94/58/34/1370945834.db2.gz VZAVZXBRRJFKAK-ZJUUUORDSA-N 2 0 342.274 3.023 20 0 EGADRP C[C@H]([NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001206073612 1370954814 /nfs/dbraw/zinc/95/48/14/1370954814.db2.gz DVFMABIIXKWVLL-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccc(-c2ccc(F)cc2)o1)CC[NH+](C)C ZINC001206136130 1370968641 /nfs/dbraw/zinc/96/86/41/1370968641.db2.gz RUPSMHOUWPHQEH-UHFFFAOYSA-N 2 0 347.478 3.401 20 0 EGADRP Cc1nc(C)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)s1 ZINC001206144000 1370971438 /nfs/dbraw/zinc/97/14/38/1370971438.db2.gz CWDQLDCVZAROFN-UHFFFAOYSA-N 2 0 337.533 3.084 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)c1ccccc1 ZINC001206301011 1371015020 /nfs/dbraw/zinc/01/50/20/1371015020.db2.gz IGJHAMGLRYNLIH-UXHICEINSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@]1(C[NH3+])CCCN(Cc2cc(Br)cnc2Cl)CC1 ZINC001206304435 1371015799 /nfs/dbraw/zinc/01/57/99/1371015799.db2.gz KMSCRAGSBIIVSE-CQSZACIVSA-N 2 0 346.700 3.448 20 0 EGADRP Cc1cncc(Br)c1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206324447 1371022510 /nfs/dbraw/zinc/02/25/10/1371022510.db2.gz BQDJLNLEUYFWNK-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001206326261 1371023463 /nfs/dbraw/zinc/02/34/63/1371023463.db2.gz MCPVSDWLPWRWPR-GOSISDBHSA-N 2 0 331.485 3.467 20 0 EGADRP Cn1nccc1CN1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338174 1371026683 /nfs/dbraw/zinc/02/66/83/1371026683.db2.gz XLNNGCONXPFHJP-KFKAGJAMSA-N 2 0 344.528 3.214 20 0 EGADRP COc1c(C)cc(Br)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506880 1371076541 /nfs/dbraw/zinc/07/65/41/1371076541.db2.gz UYEBADUNUHLGCN-UHFFFAOYSA-N 2 0 341.293 3.327 20 0 EGADRP CC(C)[N@@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC001206581439 1371099598 /nfs/dbraw/zinc/09/95/98/1371099598.db2.gz IWGXAMYRPZABFS-AEFFLSMTSA-N 2 0 332.488 3.446 20 0 EGADRP COC(=O)c1cccc2[nH]cc(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c21 ZINC001206591637 1371102265 /nfs/dbraw/zinc/10/22/65/1371102265.db2.gz UNMANFNVFRXMID-INIZCTEOSA-N 2 0 343.471 3.307 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3cccnc3OC)CC2)CC1 ZINC001206596260 1371103638 /nfs/dbraw/zinc/10/36/38/1371103638.db2.gz XEDNJSLJPJHNGT-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC001206622013 1371110902 /nfs/dbraw/zinc/11/09/02/1371110902.db2.gz SJWISQOFUHEVSW-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP [NH3+]C[C@@H]1CCCCN(Cc2cccnc2OCc2ccccc2)C1 ZINC001206648016 1371118426 /nfs/dbraw/zinc/11/84/26/1371118426.db2.gz KYUXJCGNUTXFEO-SFHVURJKSA-N 2 0 325.456 3.221 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC001206718060 1371143586 /nfs/dbraw/zinc/14/35/86/1371143586.db2.gz MXTROEQEBNGYPV-ACRUOGEOSA-N 2 0 328.500 3.400 20 0 EGADRP COc1ccc(F)cc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749818 1371152826 /nfs/dbraw/zinc/15/28/26/1371152826.db2.gz OKIKYEUXHJDORG-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCc1ccccc1Br ZINC001206760898 1371156034 /nfs/dbraw/zinc/15/60/34/1371156034.db2.gz NKDDDONWNSKKAE-UONOGXRCSA-N 2 0 325.294 3.441 20 0 EGADRP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCc1ccc(Br)cc1 ZINC001206761280 1371156525 /nfs/dbraw/zinc/15/65/25/1371156525.db2.gz VXDLEMBQNOUFGO-ZFWWWQNUSA-N 2 0 325.294 3.441 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)s2)cc1 ZINC001206768346 1371158742 /nfs/dbraw/zinc/15/87/42/1371158742.db2.gz JUTRCWXEXLDPOA-KGLIPLIRSA-N 2 0 331.485 3.378 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)s2)cc1 ZINC001206768348 1371158805 /nfs/dbraw/zinc/15/88/05/1371158805.db2.gz JUTRCWXEXLDPOA-ZIAGYGMSSA-N 2 0 331.485 3.378 20 0 EGADRP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206772228 1371160349 /nfs/dbraw/zinc/16/03/49/1371160349.db2.gz ZJXGVOIACGAUTD-RYUDHWBXSA-N 2 0 336.277 3.490 20 0 EGADRP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206771726 1371160489 /nfs/dbraw/zinc/16/04/89/1371160489.db2.gz XKHOVBZHYOQCEV-YPMHNXCESA-N 2 0 334.357 3.483 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001206882865 1371205099 /nfs/dbraw/zinc/20/50/99/1371205099.db2.gz GPBQTKSKEZCLCW-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206889098 1371208605 /nfs/dbraw/zinc/20/86/05/1371208605.db2.gz APAHMGMBPQJPST-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206935700 1371232621 /nfs/dbraw/zinc/23/26/21/1371232621.db2.gz QZZJRFRTPHXLTR-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206953649 1371243257 /nfs/dbraw/zinc/24/32/57/1371243257.db2.gz XQQXHVRYAINBPM-GOSISDBHSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001206954738 1371245084 /nfs/dbraw/zinc/24/50/84/1371245084.db2.gz UZXZJKIIZCTCIQ-MRXNPFEDSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC001119326646 1371312736 /nfs/dbraw/zinc/31/27/36/1371312736.db2.gz ABSHUSMKIQAXOL-NEPJUHHUSA-N 2 0 343.393 3.223 20 0 EGADRP Cc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001207156150 1371312982 /nfs/dbraw/zinc/31/29/82/1371312982.db2.gz AXMHNZKECPNSQX-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP CC[C@@H]1[N@H+](CC(C)(C)C[NH+](C)C)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001207280424 1371348854 /nfs/dbraw/zinc/34/88/54/1371348854.db2.gz RPNCXOUBFLVCON-RXVVDRJESA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001207282529 1371350606 /nfs/dbraw/zinc/35/06/06/1371350606.db2.gz SMADYBSVYXMNBD-OAQYLSRUSA-N 2 0 347.522 3.454 20 0 EGADRP CCC[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207289140 1371352906 /nfs/dbraw/zinc/35/29/06/1371352906.db2.gz ZVADYARQKUCOAZ-MRXNPFEDSA-N 2 0 341.540 3.296 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207315755 1371358761 /nfs/dbraw/zinc/35/87/61/1371358761.db2.gz JHVIIRQRQGHNHJ-CVEARBPZSA-N 2 0 337.305 3.265 20 0 EGADRP CC(C)(C)N1CC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001119524149 1371362130 /nfs/dbraw/zinc/36/21/30/1371362130.db2.gz DTJJZJSULFEVKY-SFHVURJKSA-N 2 0 329.488 3.136 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001119527548 1371362606 /nfs/dbraw/zinc/36/26/06/1371362606.db2.gz OIFPGBCTBCWIIW-SFHVURJKSA-N 2 0 329.488 3.136 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+](CCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207385415 1371380452 /nfs/dbraw/zinc/38/04/52/1371380452.db2.gz XYUFDORBYXBOEB-IYBDPMFKSA-N 2 0 337.305 3.265 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001207399202 1371384348 /nfs/dbraw/zinc/38/43/48/1371384348.db2.gz HTOKQAUWPFQMLJ-KURKYZTESA-N 2 0 336.520 3.303 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001207396524 1371384551 /nfs/dbraw/zinc/38/45/51/1371384551.db2.gz KIUVHTRHKGUCJV-NHCUHLMSSA-N 2 0 328.500 3.367 20 0 EGADRP Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC3CC[NH+](C)CC3)CC1)O2 ZINC001207399851 1371384809 /nfs/dbraw/zinc/38/48/09/1371384809.db2.gz WRWOAJLDGHCWRK-UHFFFAOYSA-N 2 0 342.483 3.137 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001207402729 1371386220 /nfs/dbraw/zinc/38/62/20/1371386220.db2.gz MNAZSPHBWMRVFP-YADHBBJMSA-N 3 0 341.543 3.172 20 0 EGADRP Fc1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001207437278 1371395984 /nfs/dbraw/zinc/39/59/84/1371395984.db2.gz HBYXLMYQLNUISD-UHFFFAOYSA-N 2 0 326.843 3.322 20 0 EGADRP COc1ccc(C(=O)C2CC[NH+](CCC3CC[NH+](C)CC3)CC2)cc1 ZINC001207484944 1371409986 /nfs/dbraw/zinc/40/99/86/1371409986.db2.gz PALFTINBHRYQOF-UHFFFAOYSA-N 2 0 344.499 3.322 20 0 EGADRP Fc1ccccc1CC[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001207498041 1371415989 /nfs/dbraw/zinc/41/59/89/1371415989.db2.gz ZUGUFOGCHJGYOU-UHFFFAOYSA-N 2 0 334.479 3.193 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001119989135 1371443856 /nfs/dbraw/zinc/44/38/56/1371443856.db2.gz HJMSJOYRLIDGAL-KRWDZBQOSA-N 2 0 341.515 3.019 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001120005194 1371451253 /nfs/dbraw/zinc/45/12/53/1371451253.db2.gz MDWZFUACLCAGHI-RBUKOAKNSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001120045973 1371467562 /nfs/dbraw/zinc/46/75/62/1371467562.db2.gz KWNZWOWQRMFLKY-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120190078 1371503007 /nfs/dbraw/zinc/50/30/07/1371503007.db2.gz RCCPHBDDYCZBAD-QZTJIDSGSA-N 2 0 337.552 3.458 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001120208005 1371505425 /nfs/dbraw/zinc/50/54/25/1371505425.db2.gz QGSKATOMYJCCAV-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799754 1371507716 /nfs/dbraw/zinc/50/77/16/1371507716.db2.gz IWSJRCYXIPWWOJ-QSMUSEHHSA-N 2 0 349.563 3.290 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799751 1371507959 /nfs/dbraw/zinc/50/79/59/1371507959.db2.gz IWSJRCYXIPWWOJ-ODWICZQRSA-N 2 0 349.563 3.290 20 0 EGADRP CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CCCCC1 ZINC001120239757 1371511049 /nfs/dbraw/zinc/51/10/49/1371511049.db2.gz FFLXCXBGIPITKC-UHFFFAOYSA-N 2 0 335.492 3.164 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCCO4)CC[C@H]3C2)cc1 ZINC001207963319 1371552691 /nfs/dbraw/zinc/55/26/91/1371552691.db2.gz FVCLGXMKDAOHPN-PWRODBHTSA-N 2 0 328.500 3.400 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001120414100 1371565408 /nfs/dbraw/zinc/56/54/08/1371565408.db2.gz SGZAQTBHCZZNFY-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439748 1371576995 /nfs/dbraw/zinc/57/69/95/1371576995.db2.gz IQVWVOFSERZNMI-WWTANLFGSA-N 2 0 349.563 3.388 20 0 EGADRP CC1(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC001208078505 1371589569 /nfs/dbraw/zinc/58/95/69/1371589569.db2.gz NTMPDKZMRBRQLB-VQTJNVASSA-N 2 0 328.500 3.257 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCCN(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001208112660 1371598291 /nfs/dbraw/zinc/59/82/91/1371598291.db2.gz WRGWBMOSAVWNRG-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP C[NH+](C)CC1(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC001208185835 1371625960 /nfs/dbraw/zinc/62/59/60/1371625960.db2.gz IVTCNELBVRKMAH-SFTDATJTSA-N 2 0 341.543 3.172 20 0 EGADRP C[NH+](C)CC1(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CCCC1 ZINC001208185934 1371626990 /nfs/dbraw/zinc/62/69/90/1371626990.db2.gz LHBOJIMYAZIHPB-PMACEKPBSA-N 2 0 327.516 3.067 20 0 EGADRP C[NH+](C)CC1(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)CCCC1 ZINC001208187391 1371627115 /nfs/dbraw/zinc/62/71/15/1371627115.db2.gz JTQWPXTVRLSPQD-UHFFFAOYSA-N 2 0 341.543 3.415 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258242 1371686416 /nfs/dbraw/zinc/68/64/16/1371686416.db2.gz DTPMOLMYPMNKOF-MRXNPFEDSA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330624 1371719179 /nfs/dbraw/zinc/71/91/79/1371719179.db2.gz AUDKSNCLOZHWJK-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331877 1371721185 /nfs/dbraw/zinc/72/11/85/1371721185.db2.gz XUOGBEBGNGIURI-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208335619 1371722915 /nfs/dbraw/zinc/72/29/15/1371722915.db2.gz WSENQUVJRUIPPZ-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)cc1 ZINC001208447126 1371769835 /nfs/dbraw/zinc/76/98/35/1371769835.db2.gz ILRFUDFOBHIXTB-LJQANCHMSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001208453352 1371771925 /nfs/dbraw/zinc/77/19/25/1371771925.db2.gz FJXLTAAKAUBLTE-XWGMLZDCSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001208453852 1371772598 /nfs/dbraw/zinc/77/25/98/1371772598.db2.gz PUVNIZQIZHOMPE-ABHNRTSZSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460197 1371775631 /nfs/dbraw/zinc/77/56/31/1371775631.db2.gz PSWRRYBHGRKOAT-KRWDZBQOSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208564602 1371818946 /nfs/dbraw/zinc/81/89/46/1371818946.db2.gz VIBYUKOMDZBMOM-FUHWJXTLSA-N 2 0 342.487 3.211 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208592361 1371831613 /nfs/dbraw/zinc/83/16/13/1371831613.db2.gz TWWBQQZBXRYNIN-RTWAWAEBSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)CC1 ZINC001208599170 1371834523 /nfs/dbraw/zinc/83/45/23/1371834523.db2.gz IBOJHNNEXVFFGH-VAMGGRTRSA-N 2 0 338.536 3.013 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001208599830 1371835757 /nfs/dbraw/zinc/83/57/57/1371835757.db2.gz CMJJRLJTKHATIA-QFIPXVFZSA-N 2 0 341.543 3.459 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(N(C)Cc3cccc(F)c3)CC2)CC1 ZINC001208602503 1371836464 /nfs/dbraw/zinc/83/64/64/1371836464.db2.gz GCSPLMNEBFVLKC-UHFFFAOYSA-N 3 0 347.522 3.454 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)CC1 ZINC001208601699 1371836617 /nfs/dbraw/zinc/83/66/17/1371836617.db2.gz RINVGYFJSCOPDJ-UHFFFAOYSA-N 2 0 337.895 3.310 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001121112231 1371856679 /nfs/dbraw/zinc/85/66/79/1371856679.db2.gz OTGXXRXNFCUUHQ-KZYAKZRFSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001121117101 1371857012 /nfs/dbraw/zinc/85/70/12/1371857012.db2.gz DVNNXDIQODWYDE-SGPNKGFISA-N 2 0 347.547 3.068 20 0 EGADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](CCC4CC4)CC3)C2)cc1 ZINC001208682459 1371859389 /nfs/dbraw/zinc/85/93/89/1371859389.db2.gz LNANYLZXGMJXFY-UHFFFAOYSA-N 2 0 328.500 3.462 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](C[C@H](C)OCc2ccccc2)CC1 ZINC001208705557 1371869918 /nfs/dbraw/zinc/86/99/18/1371869918.db2.gz YGYZODFIBALPGA-SFHVURJKSA-N 2 0 325.456 3.117 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121194212 1371885249 /nfs/dbraw/zinc/88/52/49/1371885249.db2.gz OSIACALRUQZOQH-YDXWLCMNSA-N 2 0 347.547 3.234 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208768764 1371890112 /nfs/dbraw/zinc/89/01/12/1371890112.db2.gz HSRZHXJCUGUDPK-DUMMIQTOSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208769477 1371890713 /nfs/dbraw/zinc/89/07/13/1371890713.db2.gz KOSSSFAZGBECNZ-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001121289583 1371922993 /nfs/dbraw/zinc/92/29/93/1371922993.db2.gz YQBPKQJIBKWWOA-JGQKGBITSA-N 2 0 347.547 3.066 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001121302330 1371929635 /nfs/dbraw/zinc/92/96/35/1371929635.db2.gz YBKFJBMTTQSYAY-PYBGJWETSA-N 2 0 335.536 3.090 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001121368230 1371951930 /nfs/dbraw/zinc/95/19/30/1371951930.db2.gz MOGPKPSJIDWVFY-UHFFFAOYSA-N 2 0 340.471 3.155 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208934392 1371952321 /nfs/dbraw/zinc/95/23/21/1371952321.db2.gz GYWZGWJPPDXAPX-NJDAHSKKSA-N 2 0 328.500 3.400 20 0 EGADRP CC[NH+]1CCC(N(C)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937081 1371954599 /nfs/dbraw/zinc/95/45/99/1371954599.db2.gz RABPATGYDILWNF-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP COC(=O)CC[C@H]1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940693 1371956213 /nfs/dbraw/zinc/95/62/13/1371956213.db2.gz VMTJFFXVTZABOW-VQTJNVASSA-N 2 0 344.499 3.174 20 0 EGADRP CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947388 1371959025 /nfs/dbraw/zinc/95/90/25/1371959025.db2.gz BHSDDEZUVXHMTM-OALUTQOASA-N 2 0 344.499 3.172 20 0 EGADRP COCOCCC[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209030721 1371979190 /nfs/dbraw/zinc/97/91/90/1371979190.db2.gz BBCYOTABLBLTFC-UHFFFAOYSA-N 2 0 346.515 3.375 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001121469123 1371984428 /nfs/dbraw/zinc/98/44/28/1371984428.db2.gz QTXNUOYJKYBJSW-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C(C[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC001209103555 1371998706 /nfs/dbraw/zinc/99/87/06/1371998706.db2.gz YVABFZTZGHYHDY-LJQANCHMSA-N 2 0 336.520 3.260 20 0 EGADRP COCCCC[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001209216123 1372040628 /nfs/dbraw/zinc/04/06/28/1372040628.db2.gz HRVBEUAKLJBZKC-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(CCCCCc3ccccc3)CC2)CC1 ZINC001209235340 1372046356 /nfs/dbraw/zinc/04/63/56/1372046356.db2.gz OJGZOLRQRWOWNH-UHFFFAOYSA-N 2 0 343.559 3.359 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2)[NH+](C)C ZINC001121707881 1372054170 /nfs/dbraw/zinc/05/41/70/1372054170.db2.gz MAZVUDJFGPFBAS-MBEFBZSESA-N 2 0 349.563 3.170 20 0 EGADRP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCCC2OCCO2)C3)cc1 ZINC001209308381 1372064636 /nfs/dbraw/zinc/06/46/36/1372064636.db2.gz AQISSRGFWXRFBH-OAQYLSRUSA-N 2 0 344.499 3.128 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761485 1372073220 /nfs/dbraw/zinc/07/32/20/1372073220.db2.gz MLOCQMCDLZRPOQ-RFQXKIEVSA-N 2 0 349.563 3.480 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767567 1372074490 /nfs/dbraw/zinc/07/44/90/1372074490.db2.gz HLCDSLCSSQUEIW-ZCBKYUGRSA-N 2 0 347.547 3.234 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121773356 1372077415 /nfs/dbraw/zinc/07/74/15/1372077415.db2.gz PYONBLQULTWVPI-ZUNIIPQUSA-N 2 0 349.563 3.027 20 0 EGADRP CC[N@H+](C)C1CC[NH+](CCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209375453 1372081661 /nfs/dbraw/zinc/08/16/61/1372081661.db2.gz JUQFMILAWYOTER-UHFFFAOYSA-N 2 0 327.513 3.098 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC001121849079 1372100943 /nfs/dbraw/zinc/10/09/43/1372100943.db2.gz VJXBVFFEBKIDBK-UFQJCFOOSA-N 2 0 346.519 3.287 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)C(C)C ZINC001209584975 1372143796 /nfs/dbraw/zinc/14/37/96/1372143796.db2.gz FMDRLUCLEFBLFO-KZNAEPCWSA-N 2 0 339.568 3.226 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2F)C1)[NH+](CC)CC ZINC001209588296 1372144719 /nfs/dbraw/zinc/14/47/19/1372144719.db2.gz GCLUKGULROTANC-IEBWSBKVSA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001209613825 1372151136 /nfs/dbraw/zinc/15/11/36/1372151136.db2.gz KYKUGVTYMAKDEQ-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651401 1372161922 /nfs/dbraw/zinc/16/19/22/1372161922.db2.gz SGKBTYYRBHZHFV-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2)c1ccccc1 ZINC001122056780 1372164536 /nfs/dbraw/zinc/16/45/36/1372164536.db2.gz RMEKAZKAWGGEKZ-MBEFBZSESA-N 2 0 343.515 3.105 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2 ZINC001122248468 1372211435 /nfs/dbraw/zinc/21/14/35/1372211435.db2.gz IAJDNKSUWSYESE-UHFFFAOYSA-N 2 0 347.547 3.234 20 0 EGADRP CCCN(C(=O)CCC(C)(C)[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC001122378089 1372237501 /nfs/dbraw/zinc/23/75/01/1372237501.db2.gz VVSCRDUMTZHUOU-UHFFFAOYSA-N 2 0 345.531 3.407 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001209972033 1372244322 /nfs/dbraw/zinc/24/43/22/1372244322.db2.gz GSAKAKZHAYMAJW-VQIMIIECSA-N 2 0 340.471 3.113 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001187921806 1388190080 /nfs/dbraw/zinc/19/00/80/1388190080.db2.gz ZCOHCVJAJFBNTB-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210229164 1372300378 /nfs/dbraw/zinc/30/03/78/1372300378.db2.gz MOYGIFCCDASEBS-BNCSFYMNSA-N 2 0 343.515 3.012 20 0 EGADRP COc1ccc(-n2cccc2)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210268773 1372311532 /nfs/dbraw/zinc/31/15/32/1372311532.db2.gz GNYVAJMJSVXYOD-UHFFFAOYSA-N 2 0 349.438 3.034 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428944 1372351355 /nfs/dbraw/zinc/35/13/55/1372351355.db2.gz WYEVXPWKIMZLNQ-YJJPMGAVSA-N 2 0 349.563 3.434 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001187921729 1388190122 /nfs/dbraw/zinc/19/01/22/1388190122.db2.gz VEIHPAODUKHWAY-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP c1nc2n(c1C[N@H+](Cc1ccccc1)C1CCCCC1)CC[NH2+]CC2 ZINC001210580789 1372384285 /nfs/dbraw/zinc/38/42/85/1372384285.db2.gz MALPUOIGMQNPFK-UHFFFAOYSA-N 2 0 338.499 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001210586531 1372385022 /nfs/dbraw/zinc/38/50/22/1372385022.db2.gz XVYBFZNFNZMTKH-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210615028 1372391888 /nfs/dbraw/zinc/39/18/88/1372391888.db2.gz KJDFZJYWGZKWDX-CTNGQTDRSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001210633599 1372396243 /nfs/dbraw/zinc/39/62/43/1372396243.db2.gz GFTACIHYRPLEDC-ROUUACIJSA-N 2 0 343.531 3.217 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001210643873 1372399047 /nfs/dbraw/zinc/39/90/47/1372399047.db2.gz LYRYVUCTGXVSOJ-VQTJNVASSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001210743610 1372417537 /nfs/dbraw/zinc/41/75/37/1372417537.db2.gz JTXLEYOJXXKLFO-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210744786 1372417898 /nfs/dbraw/zinc/41/78/98/1372417898.db2.gz VTSMCTCBRGWMCP-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210750783 1372419268 /nfs/dbraw/zinc/41/92/68/1372419268.db2.gz LEZIUCTYBRYCNE-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001210782339 1372426196 /nfs/dbraw/zinc/42/61/96/1372426196.db2.gz LRLKPQPGVHYTED-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001210796747 1372427799 /nfs/dbraw/zinc/42/77/99/1372427799.db2.gz JIPVYKPSGJHUEB-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001210796396 1372427968 /nfs/dbraw/zinc/42/79/68/1372427968.db2.gz FTQJYZXRRLFUSV-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(OC3CC[NH+](C)CC3)cn2)c1 ZINC001211138796 1372489203 /nfs/dbraw/zinc/48/92/03/1372489203.db2.gz UIXBACFKNUNQFD-UHFFFAOYSA-N 2 0 326.444 3.018 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240371 1372509407 /nfs/dbraw/zinc/50/94/07/1372509407.db2.gz KDOOBEANIKZEGT-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309366 1372526280 /nfs/dbraw/zinc/52/62/80/1372526280.db2.gz BICRWMOEAWAILI-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211350741 1372538444 /nfs/dbraw/zinc/53/84/44/1372538444.db2.gz WKELWXLPRDFWIS-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1ccc(-c2ccccc2)c(-c2noc(CC3([NH3+])CC[NH2+]CC3)n2)c1 ZINC001212168668 1372666763 /nfs/dbraw/zinc/66/67/63/1372666763.db2.gz FJCHQMNSARKFDD-UHFFFAOYSA-N 2 0 348.450 3.335 20 0 EGADRP COc1cccc(C2CC2)c1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001213816082 1372965669 /nfs/dbraw/zinc/96/56/69/1372965669.db2.gz DWTKDEBTULOOET-UHFFFAOYSA-N 2 0 338.455 3.463 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC001127538214 1373137155 /nfs/dbraw/zinc/13/71/55/1373137155.db2.gz DQHFOGBMVRTCPD-LJQANCHMSA-N 2 0 329.488 3.135 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001215019861 1373157657 /nfs/dbraw/zinc/15/76/57/1373157657.db2.gz HMHWQMAUEIDAFP-SJLPKXTDSA-N 2 0 335.536 3.042 20 0 EGADRP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001215027001 1373158774 /nfs/dbraw/zinc/15/87/74/1373158774.db2.gz KYKAFQLUXREGGP-RDTXWAMCSA-N 2 0 342.487 3.129 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001215056975 1373162646 /nfs/dbraw/zinc/16/26/46/1373162646.db2.gz QPTOSRYXNVJGMZ-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001128779732 1373310515 /nfs/dbraw/zinc/31/05/15/1373310515.db2.gz XAJSIDWKNGBREM-PXNSSMCTSA-N 2 0 345.531 3.451 20 0 EGADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1[NH2+]CCC(C)(C)C ZINC001216843123 1373349999 /nfs/dbraw/zinc/34/99/99/1373349999.db2.gz WYKPAAKVPZMTKE-VQIMIIECSA-N 2 0 345.531 3.235 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C2)o1 ZINC001216953933 1373370134 /nfs/dbraw/zinc/37/01/34/1373370134.db2.gz KHOGBCPHFQCAAU-SJLPKXTDSA-N 2 0 347.503 3.138 20 0 EGADRP Cc1ccncc1-c1noc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)n1 ZINC001217044729 1373381729 /nfs/dbraw/zinc/38/17/29/1373381729.db2.gz SKQLTTOFKXYNNY-UHFFFAOYSA-N 2 0 349.438 3.030 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@@](C)(CO[C@H]2CCCC[NH2+]C2)O1 ZINC001217773183 1373499582 /nfs/dbraw/zinc/49/95/82/1373499582.db2.gz NNIFOYHNWLUICZ-FPOVZHCZSA-N 2 0 346.515 3.215 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3OCC[C@H]2CC[NH2+]C2)cc1 ZINC001217809346 1373503194 /nfs/dbraw/zinc/50/31/94/1373503194.db2.gz RXZYTXKMTOHDME-OKCRPCIYSA-N 2 0 328.500 3.303 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]CC[C@H]2CCC[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001130658682 1373576356 /nfs/dbraw/zinc/57/63/56/1373576356.db2.gz KDFLRGMFDMBFLA-NVXWUHKLSA-N 2 0 342.487 3.179 20 0 EGADRP Cc1c(C(=O)NCC[NH2+][C@@H]2CCCc3ccccc32)ccc2c[nH+]cn21 ZINC001130658818 1373577032 /nfs/dbraw/zinc/57/70/32/1373577032.db2.gz RAAATCHGSSDTDO-HXUWFJFHSA-N 2 0 348.450 3.040 20 0 EGADRP CC[C@]1(c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)c2)CCCC[N@H+](C)C1 ZINC001218331023 1373598355 /nfs/dbraw/zinc/59/83/55/1373598355.db2.gz PIQXGRBFPITBFM-ZXNZYJFHSA-N 2 0 328.500 3.437 20 0 EGADRP O=C(NCC[NH2+]Cc1ccc(C2CCC2)cc1)c1ccn2c[nH+]cc2c1 ZINC001130874983 1373601554 /nfs/dbraw/zinc/60/15/54/1373601554.db2.gz XYIGTLUKNOHLJW-UHFFFAOYSA-N 2 0 348.450 3.121 20 0 EGADRP C[C@H]1[NH2+]C[C@H]1Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC001218385361 1373604296 /nfs/dbraw/zinc/60/42/96/1373604296.db2.gz HJNHOHDYIMWNOY-NQKWYQNWSA-N 2 0 326.484 3.114 20 0 EGADRP Clc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001218410588 1373609726 /nfs/dbraw/zinc/60/97/26/1373609726.db2.gz FWYCAUIUGIUYSS-MRXNPFEDSA-N 2 0 343.858 3.034 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CC[C@H]5C[NH2+]C[C@H]54)cc32)CC1 ZINC001218459531 1373617600 /nfs/dbraw/zinc/61/76/00/1373617600.db2.gz GLSLZDQVWCFACD-NYSBEXSLSA-N 2 0 339.483 3.354 20 0 EGADRP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2 ZINC001218458007 1373617604 /nfs/dbraw/zinc/61/76/04/1373617604.db2.gz BTYJMEOEHKOBLO-XEMDLRDOSA-N 2 0 328.500 3.219 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cnc2cc(Cl)ccc2c1 ZINC001218649336 1373640523 /nfs/dbraw/zinc/64/05/23/1373640523.db2.gz WMYHNRXTQQECRG-INIZCTEOSA-N 2 0 348.878 3.322 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cccc(COC(C)C)c1 ZINC001218970852 1373673035 /nfs/dbraw/zinc/67/30/35/1373673035.db2.gz RZSDGMOHSZDJLW-SFHVURJKSA-N 2 0 335.492 3.046 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC001218989153 1373675242 /nfs/dbraw/zinc/67/52/42/1373675242.db2.gz SEWKPLVHRSVTKR-KRWDZBQOSA-N 2 0 336.439 3.230 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cc(C2CCCCC2)ccc1O ZINC001219400479 1373706795 /nfs/dbraw/zinc/70/67/95/1373706795.db2.gz OSLSJCUIZLXQNB-INIZCTEOSA-N 2 0 333.476 3.225 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664330 1373787669 /nfs/dbraw/zinc/78/76/69/1373787669.db2.gz PNKONXBTQGRRKS-VAMGGRTRSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001221962848 1373808981 /nfs/dbraw/zinc/80/89/81/1373808981.db2.gz ZZVSUAVJRIJTGK-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001131822905 1373823577 /nfs/dbraw/zinc/82/35/77/1373823577.db2.gz XNGKLYVYRAIIRJ-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP CCCCCOc1ccc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222401562 1373838989 /nfs/dbraw/zinc/83/89/89/1373838989.db2.gz WNPZFKNXAIFUFF-UHFFFAOYSA-N 2 0 346.515 3.458 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001188346454 1388294266 /nfs/dbraw/zinc/29/42/66/1388294266.db2.gz PCEWPXNMDLYYEP-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CC(c3ccc(F)cc3)C2)cc1 ZINC001326785900 1388309981 /nfs/dbraw/zinc/30/99/81/1388309981.db2.gz HGNNMWYGMVIMOM-UHFFFAOYSA-N 2 0 328.431 3.366 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001224402795 1375066484 /nfs/dbraw/zinc/06/64/84/1375066484.db2.gz QLIMXBXRYDWREW-YLJYHZDGSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224796186 1375077494 /nfs/dbraw/zinc/07/74/94/1375077494.db2.gz NKTDSCYEODAOIR-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1CC[NH+](CC=C(C)C)CC1)C(C)C ZINC001224884102 1375082310 /nfs/dbraw/zinc/08/23/10/1375082310.db2.gz NRLCIVQQEYPEDA-IBGZPJMESA-N 2 0 337.552 3.147 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCc2ncc[nH]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132024889 1375103995 /nfs/dbraw/zinc/10/39/95/1375103995.db2.gz JPAFASGLPWKJRK-FUHWJXTLSA-N 2 0 344.503 3.202 20 0 EGADRP CCC(CC)C[NH+]1CCC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542315 1375122423 /nfs/dbraw/zinc/12/24/23/1375122423.db2.gz KHRXAOKDFUFZEA-CALCHBBNSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1CCCCC1 ZINC001132105201 1375149716 /nfs/dbraw/zinc/14/97/16/1375149716.db2.gz CLLNQTIJBLRRKQ-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132105764 1375150868 /nfs/dbraw/zinc/15/08/68/1375150868.db2.gz MMFBQKVCSHOIPL-FUHWJXTLSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132106453 1375151108 /nfs/dbraw/zinc/15/11/08/1375151108.db2.gz UOQYTPYXMOOLQW-MJGOQNOKSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C[N@@H+]1CCCCCF ZINC001132132428 1375162705 /nfs/dbraw/zinc/16/27/05/1375162705.db2.gz QVEKBSQGOHQYOU-GOEBONIOSA-N 2 0 346.450 3.285 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152969 1375172440 /nfs/dbraw/zinc/17/24/40/1375172440.db2.gz LSIQLIGIKMPCSJ-IAGOWNOFSA-N 2 0 325.541 3.266 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152696 1375172748 /nfs/dbraw/zinc/17/27/48/1375172748.db2.gz HUFWLTOMZMQDCU-FWGLOVMOSA-N 2 0 337.552 3.432 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152699 1375173578 /nfs/dbraw/zinc/17/35/78/1375173578.db2.gz HUFWLTOMZMQDCU-WFJXPABVSA-N 2 0 337.552 3.432 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CCCCCF ZINC001132173072 1375187889 /nfs/dbraw/zinc/18/78/89/1375187889.db2.gz HADOQNXYROONCF-DOTOQJQBSA-N 2 0 346.450 3.057 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132207203 1375209453 /nfs/dbraw/zinc/20/94/53/1375209453.db2.gz RAMRGCAIFRCTJG-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132211293 1375211336 /nfs/dbraw/zinc/21/13/36/1375211336.db2.gz NYCFJARMSKLZTN-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CCC1CC1 ZINC001132212136 1375212132 /nfs/dbraw/zinc/21/21/32/1375212132.db2.gz UEWKIVHWRCRQAT-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265215 1375254863 /nfs/dbraw/zinc/25/48/63/1375254863.db2.gz JQCHMUXUMYVEAM-MZIIKBMYSA-N 2 0 335.536 3.044 20 0 EGADRP CCOC(=O)c1ccc(CCC[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226782985 1375333245 /nfs/dbraw/zinc/33/32/45/1375333245.db2.gz AOAHTRXYZOOKRU-UHFFFAOYSA-N 2 0 330.472 3.014 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C)C1CC1 ZINC001226801182 1375338644 /nfs/dbraw/zinc/33/86/44/1375338644.db2.gz ULOLDBCRFGRVFO-KURKYZTESA-N 2 0 337.552 3.170 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132388494 1375346018 /nfs/dbraw/zinc/34/60/18/1375346018.db2.gz MZZQLNRMGXYWSS-CWHLKURSSA-N 2 0 349.563 3.432 20 0 EGADRP CCc1ccc(C[NH+]2C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]2C)cc1 ZINC001132409834 1375358001 /nfs/dbraw/zinc/35/80/01/1375358001.db2.gz FTBPCQNJYKFRKH-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1=CCCCC1 ZINC001132436598 1375380870 /nfs/dbraw/zinc/38/08/70/1375380870.db2.gz MTGRGDODOYZRRB-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC001227166928 1375400989 /nfs/dbraw/zinc/40/09/89/1375400989.db2.gz WPGTZRVQNGISIV-GVDBMIGSSA-N 2 0 346.519 3.030 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001132517408 1375435539 /nfs/dbraw/zinc/43/55/39/1375435539.db2.gz CATLTMLDJKBTAV-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCCC1CCC1 ZINC001132518759 1375437638 /nfs/dbraw/zinc/43/76/38/1375437638.db2.gz NTMDIMLAZMCVLZ-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CC1CCC1 ZINC001132549328 1375455239 /nfs/dbraw/zinc/45/52/39/1375455239.db2.gz QQFAFSKXAJYGDJ-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC[NH+](CC3CCCCCC3)CC2)CCC1 ZINC001227806561 1375477923 /nfs/dbraw/zinc/47/79/23/1375477923.db2.gz FIRFWYNBAJEBIW-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001227899299 1375488957 /nfs/dbraw/zinc/48/89/57/1375488957.db2.gz DURYNFAPYXRXET-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)[NH+]1CCCC1 ZINC001227899746 1375489371 /nfs/dbraw/zinc/48/93/71/1375489371.db2.gz CCVGSUPZAAMWTP-IAGOWNOFSA-N 2 0 341.515 3.018 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001132738883 1375539022 /nfs/dbraw/zinc/53/90/22/1375539022.db2.gz KHJJTPOCBGHKSV-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001228594526 1375608608 /nfs/dbraw/zinc/60/86/08/1375608608.db2.gz MHHXQALFLBRCED-QLLBUPAMSA-N 2 0 335.536 3.234 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973988 1375688421 /nfs/dbraw/zinc/68/84/21/1375688421.db2.gz URNYBKIMKHVFCE-SJLPKXTDSA-N 2 0 342.487 3.068 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133030925 1375723866 /nfs/dbraw/zinc/72/38/66/1375723866.db2.gz LQRLIYMFRNUFKZ-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064543 1375753403 /nfs/dbraw/zinc/75/34/03/1375753403.db2.gz NUSAXTLVHGQAAU-FUHWJXTLSA-N 2 0 349.519 3.075 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](CC)CC ZINC001229172025 1375780171 /nfs/dbraw/zinc/78/01/71/1375780171.db2.gz UFOYJQPQHQSTDV-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1F ZINC001229213857 1375788005 /nfs/dbraw/zinc/78/80/05/1375788005.db2.gz MJZDSZWKMJIEHN-KFKAGJAMSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC001229524123 1375850643 /nfs/dbraw/zinc/85/06/43/1375850643.db2.gz OKHHSAWDUJBPHN-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001133238189 1375859837 /nfs/dbraw/zinc/85/98/37/1375859837.db2.gz QETDNAAOXHDYLW-MOPGFXCFSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@@H](c1cccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c1)[NH+](C)C ZINC001229623020 1375867557 /nfs/dbraw/zinc/86/75/57/1375867557.db2.gz RHWHDWHZODVPJN-YTQUADARSA-N 2 0 332.488 3.331 20 0 EGADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](CCC)CCC ZINC001229652345 1375871309 /nfs/dbraw/zinc/87/13/09/1375871309.db2.gz MPERGEZRAMMFLX-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133359583 1375943683 /nfs/dbraw/zinc/94/36/83/1375943683.db2.gz IDAQMYFFUSBENN-PMACEKPBSA-N 2 0 349.563 3.293 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001230287813 1375986238 /nfs/dbraw/zinc/98/62/38/1375986238.db2.gz CEBCYIKYSTZMFV-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@@H](C(=O)N(CC[NH2+]C(C)C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001133405817 1375991152 /nfs/dbraw/zinc/99/11/52/1375991152.db2.gz RZDAQLRACXOEOU-KRWDZBQOSA-N 2 0 339.911 3.007 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1ccnc1 ZINC001230344085 1376004082 /nfs/dbraw/zinc/00/40/82/1376004082.db2.gz APVXIOIDVDOJQC-NYQZOWANSA-N 2 0 346.519 3.427 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230377893 1376009592 /nfs/dbraw/zinc/00/95/92/1376009592.db2.gz CBBRCZBOCFWABV-PRPIBZDOSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC(C)C)CC1 ZINC001230610663 1376100951 /nfs/dbraw/zinc/10/09/51/1376100951.db2.gz GFJCZAMQIDSQTF-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230622664 1376105741 /nfs/dbraw/zinc/10/57/41/1376105741.db2.gz PPUOMAMYHHNHBN-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](CC)CC ZINC001133689651 1376158002 /nfs/dbraw/zinc/15/80/02/1376158002.db2.gz AXBNCKOUVROZTC-YOEHRIQHSA-N 2 0 339.911 3.227 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001133823582 1376219857 /nfs/dbraw/zinc/21/98/57/1376219857.db2.gz JUDHTYYUCXFNIK-AOCRQIFASA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001133845807 1376228959 /nfs/dbraw/zinc/22/89/59/1376228959.db2.gz NOARCNPKKORAML-SJORKVTESA-N 2 0 345.531 3.093 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC001231699571 1376302169 /nfs/dbraw/zinc/30/21/69/1376302169.db2.gz OZBUTLCEWGLGQA-UHFFFAOYSA-N 2 0 338.879 3.275 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015156 1376383627 /nfs/dbraw/zinc/38/36/27/1376383627.db2.gz BYBLQPQHMYASAH-ZFWWWQNUSA-N 2 0 344.459 3.441 20 0 EGADRP c1c2ccncc2[nH]c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232094131 1376398402 /nfs/dbraw/zinc/39/84/02/1376398402.db2.gz JSTDZBUIZQGTOC-KDURUIRLSA-N 2 0 332.451 3.127 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001232143888 1376409130 /nfs/dbraw/zinc/40/91/30/1376409130.db2.gz DKPMITIBDSPLDN-MRXNPFEDSA-N 2 0 348.384 3.167 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cccnc2NC(=O)OC(C)(C)C)CC1 ZINC001232540299 1376479545 /nfs/dbraw/zinc/47/95/45/1376479545.db2.gz WLXXMLSWPLRWOU-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612335 1376623883 /nfs/dbraw/zinc/62/38/83/1376623883.db2.gz LEIGEVOBXJMBMW-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001327229388 1388454816 /nfs/dbraw/zinc/45/48/16/1388454816.db2.gz KKFBLGYZUVZEOW-SFHVURJKSA-N 2 0 343.515 3.156 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109818 1388459883 /nfs/dbraw/zinc/45/98/83/1388459883.db2.gz FUMYKBFTGJEEKT-ITWXOWHISA-N 2 0 349.563 3.386 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001134754597 1376700431 /nfs/dbraw/zinc/70/04/31/1376700431.db2.gz VTPPJQZZSOQFLX-PKOBYXMFSA-N 2 0 331.504 3.108 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001134772864 1376712043 /nfs/dbraw/zinc/71/20/43/1376712043.db2.gz ILRNTIYIINLNGH-ZWKOTPCHSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001134772380 1376712820 /nfs/dbraw/zinc/71/28/20/1376712820.db2.gz CQSLNKXYHWUVDI-JKSUJKDBSA-N 2 0 337.552 3.170 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109832 1388460688 /nfs/dbraw/zinc/46/06/88/1388460688.db2.gz GCJLMMZUEDZKPH-IPMKNSEASA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891136 1376770546 /nfs/dbraw/zinc/77/05/46/1376770546.db2.gz BOMMQMORXXTNAL-HOTGVXAUSA-N 2 0 330.476 3.257 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892450 1376771309 /nfs/dbraw/zinc/77/13/09/1376771309.db2.gz MBKWFCZPZHZFCA-HZPDHXFCSA-N 2 0 342.487 3.401 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234216369 1376787795 /nfs/dbraw/zinc/78/77/95/1376787795.db2.gz WMTHWBCSYAOCMB-YMHTTXFNSA-N 2 0 335.536 3.138 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001235038114 1376837424 /nfs/dbraw/zinc/83/74/24/1376837424.db2.gz TTWOBCYJRHVJRH-FQEVSTJZSA-N 2 0 326.440 3.042 20 0 EGADRP Clc1sc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235041685 1376839153 /nfs/dbraw/zinc/83/91/53/1376839153.db2.gz RPNQNMJEQDZETG-IUODEOHRSA-N 2 0 336.888 3.365 20 0 EGADRP Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427718 1376870701 /nfs/dbraw/zinc/87/07/01/1376870701.db2.gz MYUGPYYZFKSVKR-WOJBJXKFSA-N 2 0 338.499 3.392 20 0 EGADRP Clc1cc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2cn1 ZINC001235430269 1376872327 /nfs/dbraw/zinc/87/23/27/1376872327.db2.gz WJRRUWDYPHQMDN-ZIAGYGMSSA-N 2 0 332.879 3.428 20 0 EGADRP COc1ccc2c(c1)c(C[NH+]1CCC(C3CC[NH2+]CC3)CC1)cn2C ZINC001235702250 1376885419 /nfs/dbraw/zinc/88/54/19/1376885419.db2.gz QRRWEKWVVXLKJH-UHFFFAOYSA-N 2 0 341.499 3.399 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001135095836 1376892164 /nfs/dbraw/zinc/89/21/64/1376892164.db2.gz SKXGNDBKFCBTFH-UXHICEINSA-N 2 0 343.515 3.033 20 0 EGADRP COCC[N@H+](Cc1ccc2cc(N(C)C)ccc2c1)C1CC[NH2+]CC1 ZINC001235945844 1376922734 /nfs/dbraw/zinc/92/27/34/1376922734.db2.gz XKQCHAHSLZYPQI-UHFFFAOYSA-N 2 0 341.499 3.106 20 0 EGADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236182821 1376939629 /nfs/dbraw/zinc/93/96/29/1376939629.db2.gz QRWOCYRRIIDKPV-UHFFFAOYSA-N 2 0 332.451 3.150 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cccc(F)c1 ZINC001135180463 1376952858 /nfs/dbraw/zinc/95/28/58/1376952858.db2.gz HUJIOCPBVPVOFW-CVEARBPZSA-N 2 0 349.494 3.073 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2cccc(OCC[NH+](C)C)c2)cc1 ZINC001242152419 1377022770 /nfs/dbraw/zinc/02/27/70/1377022770.db2.gz KAKKTTYMXFGBHJ-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C1CC1)NC(=O)CCC[NH+](C)C ZINC001135317377 1377034249 /nfs/dbraw/zinc/03/42/49/1377034249.db2.gz YGFSAJVJKAXADN-IRXDYDNUSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1ccccc1CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135317087 1377034355 /nfs/dbraw/zinc/03/43/55/1377034355.db2.gz WTANITQSISTGAJ-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CN(C)c1cc(F)cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001244799472 1377040428 /nfs/dbraw/zinc/04/04/28/1377040428.db2.gz PEXMQQWHJWKMKP-UHFFFAOYSA-N 2 0 327.447 3.482 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]CCc2cc(Br)ccc2OC)CC[NH2+]1 ZINC001246159216 1377050348 /nfs/dbraw/zinc/05/03/48/1377050348.db2.gz NXNAYMHOIQXYQF-LSDHHAIUSA-N 2 0 341.293 3.120 20 0 EGADRP CC(=O)Oc1ccc(C2CCC([N@@H+]3CCC[C@H]([NH3+])CC3)CC2)cc1 ZINC001246541515 1377052091 /nfs/dbraw/zinc/05/20/91/1377052091.db2.gz LVXPUBVTZAJPHY-AVAKVYKDSA-N 2 0 330.472 3.451 20 0 EGADRP C[C@H]1C[C@H](N2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755213 1377054483 /nfs/dbraw/zinc/05/44/83/1377054483.db2.gz HSXINISIGMDDPD-DLBZAZTESA-N 2 0 333.545 3.177 20 0 EGADRP Fc1ccc(CN2CCC[N@@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246822057 1377055101 /nfs/dbraw/zinc/05/51/01/1377055101.db2.gz LXROZHDQVFEVPD-FQEVSTJZSA-N 2 0 345.506 3.256 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CCC1CCCCCC1 ZINC001135371701 1377059514 /nfs/dbraw/zinc/05/95/14/1377059514.db2.gz HRDVUKKZKBLIPK-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135390225 1377069184 /nfs/dbraw/zinc/06/91/84/1377069184.db2.gz IQTXILKPCVOTBQ-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C)OC(=O)NCc1c[nH+]ccc1Nc1cc[nH+]c2c1CCC2 ZINC001249817317 1377079318 /nfs/dbraw/zinc/07/93/18/1377079318.db2.gz DSSRCIQTBCJHQV-UHFFFAOYSA-N 2 0 340.427 3.156 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001135440307 1377098655 /nfs/dbraw/zinc/09/86/55/1377098655.db2.gz KXTFZHCRHYDZTM-MOPGFXCFSA-N 2 0 339.568 3.421 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3F)CC2)CC1 ZINC001254508616 1377105087 /nfs/dbraw/zinc/10/50/87/1377105087.db2.gz KKWWBJSKNQGXTF-QGZVFWFLSA-N 2 0 337.458 3.003 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135612846 1377161723 /nfs/dbraw/zinc/16/17/23/1377161723.db2.gz AKZPBRFFHAXWRV-ZWKOTPCHSA-N 2 0 349.563 3.482 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001135690322 1377184561 /nfs/dbraw/zinc/18/45/61/1377184561.db2.gz GMLHDZGYNHNZLP-MSOLQXFVSA-N 2 0 325.541 3.338 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135743531 1377199309 /nfs/dbraw/zinc/19/93/09/1377199309.db2.gz LUTRBTKAYRWQFL-CVEARBPZSA-N 2 0 345.487 3.148 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135747760 1377200440 /nfs/dbraw/zinc/20/04/40/1377200440.db2.gz UPXBDEIQEHVJHU-RTBURBONSA-N 2 0 347.547 3.224 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135746602 1377200718 /nfs/dbraw/zinc/20/07/18/1377200718.db2.gz IJCMHPJVNKVWDS-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CC2(CCC2)C1 ZINC001135788495 1377211163 /nfs/dbraw/zinc/21/11/63/1377211163.db2.gz GVHJBTXCAMFOMR-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788614 1377211416 /nfs/dbraw/zinc/21/14/16/1377211416.db2.gz IDSRTSNZSMXZHY-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135861937 1377238796 /nfs/dbraw/zinc/23/87/96/1377238796.db2.gz ZGMVORFQTFANII-RBAMYAFPSA-N 2 0 345.531 3.305 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135882669 1377248874 /nfs/dbraw/zinc/24/88/74/1377248874.db2.gz QVOCGMGHRWWADQ-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939172 1377270292 /nfs/dbraw/zinc/27/02/92/1377270292.db2.gz VOTYWTVOFKZIGL-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961505 1377277246 /nfs/dbraw/zinc/27/72/46/1377277246.db2.gz RLBYQTHXZDDGRH-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961108 1377277505 /nfs/dbraw/zinc/27/75/05/1377277505.db2.gz LSSQHZGBDZQDOC-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C\c1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001135961407 1377277635 /nfs/dbraw/zinc/27/76/35/1377277635.db2.gz PWSSWHMJCZTGDM-IXAFFOJKSA-N 2 0 345.531 3.305 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135965388 1377278152 /nfs/dbraw/zinc/27/81/52/1377278152.db2.gz BSJNITOMECFXHZ-GNBGVQPESA-N 2 0 325.541 3.338 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135975690 1377283837 /nfs/dbraw/zinc/28/38/37/1377283837.db2.gz ARUSXAAYVMPFOV-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135980514 1377286133 /nfs/dbraw/zinc/28/61/33/1377286133.db2.gz PIXLMJPTRHCTHB-KGLIPLIRSA-N 2 0 339.549 3.080 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001266351888 1377290665 /nfs/dbraw/zinc/29/06/65/1377290665.db2.gz DVOGSTRTZUHCPH-QGZVFWFLSA-N 2 0 347.547 3.435 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135996357 1377292319 /nfs/dbraw/zinc/29/23/19/1377292319.db2.gz RSIBTRWGNSBJQF-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001266364505 1377296876 /nfs/dbraw/zinc/29/68/76/1377296876.db2.gz WZFBFRXQHQONSV-OALUTQOASA-N 2 0 340.471 3.005 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001266620339 1377348670 /nfs/dbraw/zinc/34/86/70/1377348670.db2.gz UABCROADFGVBMX-AXUOBQJMSA-N 2 0 349.494 3.244 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001266620340 1377349147 /nfs/dbraw/zinc/34/91/47/1377349147.db2.gz UABCROADFGVBMX-QZHFEQFPSA-N 2 0 349.494 3.244 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309381 1388493662 /nfs/dbraw/zinc/49/36/62/1388493662.db2.gz VBHGRCDNTQQDIS-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266754703 1377377373 /nfs/dbraw/zinc/37/73/73/1377377373.db2.gz GRDRSWQFWDMOJQ-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1ccc2ccccc2c1C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001266968641 1377404386 /nfs/dbraw/zinc/40/43/86/1377404386.db2.gz XWTHRVDQLYSWOP-KRWDZBQOSA-N 2 0 341.499 3.084 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001267789543 1377469203 /nfs/dbraw/zinc/46/92/03/1377469203.db2.gz IWYLLTGDHNUJTE-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP c1nc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599494 1377570121 /nfs/dbraw/zinc/57/01/21/1377570121.db2.gz XBBPDFMGINLYRW-MSOLQXFVSA-N 2 0 327.497 3.487 20 0 EGADRP Cc1c2ccccc2sc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001138462065 1377727170 /nfs/dbraw/zinc/72/71/70/1377727170.db2.gz WTCMRQISSPOUPS-ZWKOTPCHSA-N 2 0 343.540 3.420 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC001138772014 1377782346 /nfs/dbraw/zinc/78/23/46/1377782346.db2.gz CSLPVVHCRHKIOQ-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccnn2[C@H]2CCCCO2)CC1 ZINC001138778409 1377783542 /nfs/dbraw/zinc/78/35/42/1377783542.db2.gz BWTJVIGUKRGCJW-LJQANCHMSA-N 2 0 334.508 3.134 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2cccs2)s1 ZINC001139018260 1377818726 /nfs/dbraw/zinc/81/87/26/1377818726.db2.gz HVSYWOXNRMACGP-UHFFFAOYSA-N 2 0 337.558 3.402 20 0 EGADRP Cc1n[nH]c(C)c1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001139094243 1377828333 /nfs/dbraw/zinc/82/83/33/1377828333.db2.gz AOUNEVZVDILSQG-UHFFFAOYSA-N 2 0 335.455 3.205 20 0 EGADRP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001139095780 1377828881 /nfs/dbraw/zinc/82/88/81/1377828881.db2.gz CAVXHWQAWXWGQO-IBGZPJMESA-N 2 0 342.487 3.496 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1[nH]c(-c3ccccc3)nc1Cl)CC2 ZINC001139284453 1377861987 /nfs/dbraw/zinc/86/19/87/1377861987.db2.gz IJKXSVGLPPISEK-UHFFFAOYSA-N 2 0 330.863 3.258 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)CC1 ZINC001139360374 1377874219 /nfs/dbraw/zinc/87/42/19/1377874219.db2.gz QLVVOJNIUAKFGB-UHFFFAOYSA-N 2 0 338.499 3.426 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(=O)[nH]c1)CC2 ZINC001139465691 1377887901 /nfs/dbraw/zinc/88/79/01/1377887901.db2.gz QYHBOWKVLJWIAX-SFHVURJKSA-N 2 0 341.455 3.257 20 0 EGADRP CCN1CCC([N@H+](C)Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139537573 1377900361 /nfs/dbraw/zinc/90/03/61/1377900361.db2.gz ALMYFVPINLFUFQ-UHFFFAOYSA-N 2 0 340.393 3.498 20 0 EGADRP COc1ccncc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001139611068 1377917227 /nfs/dbraw/zinc/91/72/27/1377917227.db2.gz WPARFPFILCBHLH-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c[nH]c3ncnc(Cl)c23)CC1 ZINC001139937187 1377980193 /nfs/dbraw/zinc/98/01/93/1377980193.db2.gz LGPLILZOKRPOFR-UHFFFAOYSA-N 2 0 335.883 3.115 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cccnn3)C[C@@H]21 ZINC001139972440 1377985238 /nfs/dbraw/zinc/98/52/38/1377985238.db2.gz OKSYMIGSYWSDSQ-AYOQOUSVSA-N 2 0 342.512 3.271 20 0 EGADRP CC/C=C\CCCCC[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273135558 1378090017 /nfs/dbraw/zinc/09/00/17/1378090017.db2.gz PVXSULFLIOFHMG-SFFCAUCYSA-N 2 0 349.563 3.293 20 0 EGADRP Brc1ccc2c(C3C[NH+](Cc4cc[nH]c4)C3)ncn2c1 ZINC001140709324 1378120472 /nfs/dbraw/zinc/12/04/72/1378120472.db2.gz YQGQXINMJPQSCL-UHFFFAOYSA-N 2 0 331.217 3.024 20 0 EGADRP COc1cccc(Cl)c1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001140728718 1378125360 /nfs/dbraw/zinc/12/53/60/1378125360.db2.gz NAPJEZYZJSFFEH-UHFFFAOYSA-N 2 0 341.927 3.054 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccccc1C(F)F)CC2 ZINC001275391144 1378139331 /nfs/dbraw/zinc/13/93/31/1378139331.db2.gz FPDCESASXHMASY-UHFFFAOYSA-N 2 0 337.458 3.084 20 0 EGADRP COc1ccc(-c2cccc(CN3C[C@H]4C[C@@]4(C[NH+](C)C)C3)n2)cc1 ZINC001140960050 1378194084 /nfs/dbraw/zinc/19/40/84/1378194084.db2.gz SMYSJPNBJGTOOD-DYESRHJHSA-N 2 0 337.467 3.141 20 0 EGADRP C[N@H+](CCc1ccc(F)cc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974204 1378198205 /nfs/dbraw/zinc/19/82/05/1378198205.db2.gz XLYLWHTVRJDHJS-UHFFFAOYSA-N 2 0 341.474 3.252 20 0 EGADRP CC1CC(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001277647478 1378243069 /nfs/dbraw/zinc/24/30/69/1378243069.db2.gz SDZAFWWWZXEJSP-FAFZWHIHSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](CCC1CC1)C2 ZINC001278210965 1378263579 /nfs/dbraw/zinc/26/35/79/1378263579.db2.gz FMECJGIAMJSLKV-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001141284567 1378290867 /nfs/dbraw/zinc/29/08/67/1378290867.db2.gz DDPGOFBITHNPTK-VQTJNVASSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@@H]1CCC[N@@H+]1Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141572845 1378345339 /nfs/dbraw/zinc/34/53/39/1378345339.db2.gz AOMTVAGDMBZTQW-QGZVFWFLSA-N 2 0 348.535 3.078 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001141577832 1378345790 /nfs/dbraw/zinc/34/57/90/1378345790.db2.gz UXOZLSBIIRCMTI-UHFFFAOYSA-N 2 0 348.922 3.281 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001280770503 1378372052 /nfs/dbraw/zinc/37/20/52/1378372052.db2.gz QYGFMAOYSRJMEB-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001143443453 1378597512 /nfs/dbraw/zinc/59/75/12/1378597512.db2.gz RBJXCVBETHJSCU-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(OC(F)(F)F)c1 ZINC001144050982 1378674936 /nfs/dbraw/zinc/67/49/36/1378674936.db2.gz BTROWQMMTJJJDV-UHFFFAOYSA-N 2 0 346.393 3.367 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146396539 1378834129 /nfs/dbraw/zinc/83/41/29/1378834129.db2.gz AQWUAANWMFKXGB-ASIGSXEYSA-N 2 0 337.552 3.482 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533504 1378861190 /nfs/dbraw/zinc/86/11/90/1378861190.db2.gz GRCNLNMIEGSGBH-PWBPZBFBSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146534013 1378861264 /nfs/dbraw/zinc/86/12/64/1378861264.db2.gz IPUCRKBBFWOVMC-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146580845 1378870737 /nfs/dbraw/zinc/87/07/37/1378870737.db2.gz AQWRILVYMGJVME-IRXDYDNUSA-N 2 0 333.520 3.425 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146585481 1378871946 /nfs/dbraw/zinc/87/19/46/1378871946.db2.gz YJFNHDRGJUGTIN-IAGOWNOFSA-N 2 0 331.504 3.201 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001146593214 1378873990 /nfs/dbraw/zinc/87/39/90/1378873990.db2.gz OMUPKKYFQRKQPI-LSDHHAIUSA-N 2 0 339.911 3.053 20 0 EGADRP Cc1cccc(CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001146594255 1378874873 /nfs/dbraw/zinc/87/48/73/1378874873.db2.gz SDFPLXSTXRIDIK-RBUKOAKNSA-N 2 0 347.547 3.141 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146611581 1378877928 /nfs/dbraw/zinc/87/79/28/1378877928.db2.gz MOIYUYQENDLFKC-PWBPZBFBSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001146614322 1378878219 /nfs/dbraw/zinc/87/82/19/1378878219.db2.gz XXXNIIWNNDWBST-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)CCCC[NH+]1CCCC1 ZINC001146698922 1378899990 /nfs/dbraw/zinc/89/99/90/1378899990.db2.gz AHHBYILZQACHGJ-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001147449276 1379023399 /nfs/dbraw/zinc/02/33/99/1379023399.db2.gz MEBZUSNNMGFROP-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001283679495 1379109039 /nfs/dbraw/zinc/10/90/39/1379109039.db2.gz WJLZGOINQPKDCG-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001283705651 1379131708 /nfs/dbraw/zinc/13/17/08/1379131708.db2.gz URDBODUPOFALTR-SJORKVTESA-N 2 0 345.531 3.015 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148469774 1379179073 /nfs/dbraw/zinc/17/90/73/1379179073.db2.gz UYGKKYLAKSDFHJ-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148842841 1379282066 /nfs/dbraw/zinc/28/20/66/1379282066.db2.gz CZXAYBKWTXOGNP-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001152148793 1379872664 /nfs/dbraw/zinc/87/26/64/1379872664.db2.gz RIMHWNGONIXMCE-IAGOWNOFSA-N 2 0 345.531 3.063 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001152458377 1379937149 /nfs/dbraw/zinc/93/71/49/1379937149.db2.gz OLUPCFWFCQWTLQ-FXAWDEMLSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001152470960 1379939969 /nfs/dbraw/zinc/93/99/69/1379939969.db2.gz GTPNRDQXSVQFAO-HXUWFJFHSA-N 2 0 345.531 3.136 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152479376 1379940678 /nfs/dbraw/zinc/94/06/78/1379940678.db2.gz GHXKNHNLMYKXDO-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C)[NH+](C)C ZINC001284643128 1380050040 /nfs/dbraw/zinc/05/00/40/1380050040.db2.gz QORDYDZMSOUDJT-HOTGVXAUSA-N 2 0 339.549 3.017 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313477 1380053177 /nfs/dbraw/zinc/05/31/77/1380053177.db2.gz SGUDGAHNIITBJS-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484986 1380083942 /nfs/dbraw/zinc/08/39/42/1380083942.db2.gz LGDKMCBOHUHKHP-ZHALLVOQSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153653688 1380110752 /nfs/dbraw/zinc/11/07/52/1380110752.db2.gz AJMWODJAXIAHKB-LLSOJIOMSA-N 2 0 343.531 3.239 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCC1 ZINC001153677450 1380113408 /nfs/dbraw/zinc/11/34/08/1380113408.db2.gz DODWLRJIOPBOBJ-SJLPKXTDSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850847 1380143619 /nfs/dbraw/zinc/14/36/19/1380143619.db2.gz IZDRJHGZDUCLKG-ZVBPTUHVSA-N 2 0 343.515 3.011 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880120 1380148912 /nfs/dbraw/zinc/14/89/12/1380148912.db2.gz ZBOWAQAGIYAMHA-SJLPKXTDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990748 1380172778 /nfs/dbraw/zinc/17/27/78/1380172778.db2.gz QMVNSCSMNONKNW-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1ccc2ccccc2c1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005514 1380389171 /nfs/dbraw/zinc/38/91/71/1380389171.db2.gz OSPWJVGOWIENEO-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066318 1380401584 /nfs/dbraw/zinc/40/15/84/1380401584.db2.gz FEGXSIGFZFHTMO-YLJYHZDGSA-N 2 0 347.547 3.162 20 0 EGADRP c1ccc2c(c1)CC[N@H+]1CCN(c3cc(N4CCCC4)cc[nH+]3)C[C@H]21 ZINC001155094434 1380407101 /nfs/dbraw/zinc/40/71/01/1380407101.db2.gz BMSJOUQDNNRXPW-HXUWFJFHSA-N 2 0 334.467 3.101 20 0 EGADRP COc1cc2c[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)cc2cc1OC ZINC001155119898 1380412414 /nfs/dbraw/zinc/41/24/14/1380412414.db2.gz SIDUSMOCRLAXJU-GOSISDBHSA-N 2 0 333.407 3.146 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc(Cl)nc3c2CC[NH2+]C3)c1 ZINC001155348913 1380440474 /nfs/dbraw/zinc/44/04/74/1380440474.db2.gz QAUZGHAAROHZLW-LLVKDONJSA-N 2 0 326.831 3.344 20 0 EGADRP Cc1ccc2c(c1)[C@H](Nc1ccc3c(n1)CC[NH2+]C3)CC21CC[NH2+]CC1 ZINC001155431835 1380452095 /nfs/dbraw/zinc/45/20/95/1380452095.db2.gz XWRNBFHKKNDOMY-HXUWFJFHSA-N 2 0 348.494 3.214 20 0 EGADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2NCc1noc2c1C[NH2+]CC2 ZINC001155502207 1380461719 /nfs/dbraw/zinc/46/17/19/1380461719.db2.gz NIEHLAPMFUNVPD-UHFFFAOYSA-N 2 0 349.438 3.081 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001155520720 1380463738 /nfs/dbraw/zinc/46/37/38/1380463738.db2.gz AKCIWDZRSNOZJU-IAGOWNOFSA-N 2 0 346.519 3.241 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631390 1380476821 /nfs/dbraw/zinc/47/68/21/1380476821.db2.gz PTGHBRPKKLRYFC-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883696 1380502569 /nfs/dbraw/zinc/50/25/69/1380502569.db2.gz BUDBPPJZDBAIEB-MSOLQXFVSA-N 2 0 327.557 3.370 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc1 ZINC001156401680 1380571819 /nfs/dbraw/zinc/57/18/19/1380571819.db2.gz JECVONOLXJHRCB-WSTZPKSXSA-N 2 0 328.504 3.016 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1csc(C)c1 ZINC001156516997 1380587475 /nfs/dbraw/zinc/58/74/75/1380587475.db2.gz LVPGICHSVQKYIV-OAHLLOKOSA-N 2 0 339.549 3.115 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156967201 1380739051 /nfs/dbraw/zinc/73/90/51/1380739051.db2.gz OISBNAPEBBCOKO-GOSISDBHSA-N 2 0 343.531 3.219 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109765 1380778502 /nfs/dbraw/zinc/77/85/02/1380778502.db2.gz VGPXEGJXQAYUCD-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157119368 1380780825 /nfs/dbraw/zinc/78/08/25/1380780825.db2.gz VUINCJWEMXCQBN-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]C1 ZINC001328175275 1388684993 /nfs/dbraw/zinc/68/49/93/1388684993.db2.gz VBRMDQLCLJWBIR-NRFANRHFSA-N 2 0 343.515 3.069 20 0 EGADRP CN(CC[N@H+](C)Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cn1 ZINC001157556874 1380965169 /nfs/dbraw/zinc/96/51/69/1380965169.db2.gz RJTUWFKKQCYHEQ-UHFFFAOYSA-N 2 0 338.499 3.246 20 0 EGADRP CN(CC[N@H+](C)Cc1ccccc1)c1ncccc1C[NH+]1CCCC1 ZINC001157556441 1380965379 /nfs/dbraw/zinc/96/53/79/1380965379.db2.gz GRZFGIROBXFWPB-UHFFFAOYSA-N 2 0 338.499 3.246 20 0 EGADRP O=C([C@@H]1CCC[C@H](c2ccccc2)[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971259 1381087144 /nfs/dbraw/zinc/08/71/44/1381087144.db2.gz WREDJLMMPUNLFZ-QHAWAJNXSA-N 2 0 349.478 3.043 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158074212 1381120908 /nfs/dbraw/zinc/12/09/08/1381120908.db2.gz VHPLJUDPMDIRAR-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001158074246 1381121200 /nfs/dbraw/zinc/12/12/00/1381121200.db2.gz WSEKIRKLPYSQHX-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001158079944 1381121973 /nfs/dbraw/zinc/12/19/73/1381121973.db2.gz USOLSRUABCKJJU-IBGZPJMESA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082711 1381123214 /nfs/dbraw/zinc/12/32/14/1381123214.db2.gz IYGNDROWCWEIKP-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CC2)CCCC1 ZINC001158276693 1381182474 /nfs/dbraw/zinc/18/24/74/1381182474.db2.gz AOQFJKVBCKJIPL-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385712 1381226862 /nfs/dbraw/zinc/22/68/62/1381226862.db2.gz MMVWHIUNWRLSEK-GBESFXJTSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001158428837 1381241953 /nfs/dbraw/zinc/24/19/53/1381241953.db2.gz WCRGLRZNRYJUCC-MBOZVWFJSA-N 2 0 345.531 3.307 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158435148 1381246384 /nfs/dbraw/zinc/24/63/84/1381246384.db2.gz TUQYGYIASLNJNQ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCCC2CCC2)C1 ZINC001158474306 1381256430 /nfs/dbraw/zinc/25/64/30/1381256430.db2.gz XBUWIRPRNAGXTR-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480225 1381261222 /nfs/dbraw/zinc/26/12/22/1381261222.db2.gz JFHSXQSSFQIMHE-DLBZAZTESA-N 2 0 343.531 3.025 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC(C)C)[NH+](C)C ZINC001158487141 1381264014 /nfs/dbraw/zinc/26/40/14/1381264014.db2.gz SXTAMZUMEWILRK-QRVBRYPASA-N 2 0 339.568 3.322 20 0 EGADRP C[NH+]1CCC(N(c2c(Cl)ccnc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158580357 1381308176 /nfs/dbraw/zinc/30/81/76/1381308176.db2.gz FLATYNTZWZXGME-UHFFFAOYSA-N 2 0 343.302 3.041 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2cccnc2OCC2CC[NH2+]CC2)cc1 ZINC001159295080 1381755574 /nfs/dbraw/zinc/75/55/74/1381755574.db2.gz GNRBQWYWTWVLSU-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)c1 ZINC001159537821 1381820705 /nfs/dbraw/zinc/82/07/05/1381820705.db2.gz SDFDHRURFRWAKH-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP c1cc(NC2=CC[C@H]([NH+]3CCOCC3)CC2)cc(C2CC[NH2+]CC2)c1 ZINC001159764732 1381892847 /nfs/dbraw/zinc/89/28/47/1381892847.db2.gz PMTMSGDAZZHPAG-NRFANRHFSA-N 2 0 341.499 3.334 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001159789779 1381901167 /nfs/dbraw/zinc/90/11/67/1381901167.db2.gz XCACBDLINMOVIM-INIZCTEOSA-N 2 0 345.878 3.111 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001159837505 1381916882 /nfs/dbraw/zinc/91/68/82/1381916882.db2.gz FERZQNJJSCPAAB-IBGZPJMESA-N 2 0 337.552 3.031 20 0 EGADRP COc1cc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)cc(C)n1 ZINC001159861938 1381922892 /nfs/dbraw/zinc/92/28/92/1381922892.db2.gz IRSNWSRYMXELLD-UHFFFAOYSA-N 2 0 332.835 3.205 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(C[NH3+])ncn3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001159887774 1381928695 /nfs/dbraw/zinc/92/86/95/1381928695.db2.gz VBLHDBHEKLDYKD-GJWPJNNNSA-N 2 0 345.535 3.306 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001159902227 1381932533 /nfs/dbraw/zinc/93/25/33/1381932533.db2.gz VCTWXCXWWALAQL-QLQLNADESA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001159909217 1381934502 /nfs/dbraw/zinc/93/45/02/1381934502.db2.gz LMIZJZJZVVKKOP-DLBZAZTESA-N 2 0 349.494 3.246 20 0 EGADRP Brc1ccc(NC=CC2CC[NH2+]CC2)c2c1CC[NH2+]C2 ZINC001159942722 1381943498 /nfs/dbraw/zinc/94/34/98/1381943498.db2.gz QFBFFDZVPLZTKD-BJMVGYQFSA-N 2 0 336.277 3.020 20 0 EGADRP CC(C)(C)c1cc(Nc2c(O)cccc2N2CC[NH2+]CC2)cc[nH+]1 ZINC001160013174 1381967479 /nfs/dbraw/zinc/96/74/79/1381967479.db2.gz UPSHVUWPTJTTNG-UHFFFAOYSA-N 2 0 326.444 3.238 20 0 EGADRP CC(C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142705 1382014554 /nfs/dbraw/zinc/01/45/54/1382014554.db2.gz TZHLZHMUFMTOQW-LJQANCHMSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001160273204 1382058030 /nfs/dbraw/zinc/05/80/30/1382058030.db2.gz JJUXPDPLLLJJKU-RBUKOAKNSA-N 2 0 349.494 3.247 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001160275076 1382058505 /nfs/dbraw/zinc/05/85/05/1382058505.db2.gz ZVKIWKJYXXUFHR-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP CC1(C)C[NH2+]Cc2cc(NC3=CC[C@@H]([NH+]4CCOCC4)CC3)ccc21 ZINC001160284848 1382060669 /nfs/dbraw/zinc/06/06/69/1382060669.db2.gz IEHUSUQFQBPCFV-LJQANCHMSA-N 2 0 341.499 3.248 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@@H](C)CC)CC1 ZINC001160285200 1382061301 /nfs/dbraw/zinc/06/13/01/1382061301.db2.gz DWHARUZBTQDTKU-HKUYNNGSSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360358 1382082221 /nfs/dbraw/zinc/08/22/21/1382082221.db2.gz POURCTZPFKHAMO-SREVYHEPSA-N 2 0 347.547 3.356 20 0 EGADRP c1cc2c(c(Nc3cccc(C[NH+]4CCCC4)c3)c1)[C@H]1C[NH2+]C[C@H]1O2 ZINC001160394249 1382092686 /nfs/dbraw/zinc/09/26/86/1382092686.db2.gz GLTBIFFPPABAPD-FXAWDEMLSA-N 2 0 335.451 3.474 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160518549 1382129865 /nfs/dbraw/zinc/12/98/65/1382129865.db2.gz NFJMCQJMJPNHJQ-UHFFFAOYSA-N 2 0 337.552 3.291 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592743 1382149426 /nfs/dbraw/zinc/14/94/26/1382149426.db2.gz BYBIGRNPOZTHQK-ARJAWSKDSA-N 2 0 345.531 3.110 20 0 EGADRP CSc1ccc2ncnc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c2c1 ZINC001160952377 1382248760 /nfs/dbraw/zinc/24/87/60/1382248760.db2.gz XXWPGGRFUIALPU-UHFFFAOYSA-N 2 0 335.436 3.192 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161020679 1382275583 /nfs/dbraw/zinc/27/55/83/1382275583.db2.gz HUSHPKJMYLKRDY-MRXNPFEDSA-N 2 0 347.503 3.139 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@@]3(C)CC(C)(C)C[NH2+]3)CC2)CC1 ZINC001161046408 1382283212 /nfs/dbraw/zinc/28/32/12/1382283212.db2.gz KKVXTUHUCKHTIN-OAQYLSRUSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)Oc1cc[nH+]c(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)c1 ZINC001161119500 1382306600 /nfs/dbraw/zinc/30/66/00/1382306600.db2.gz AIXTYHNNLCOBSY-UHFFFAOYSA-N 2 0 333.476 3.360 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001161240341 1382351986 /nfs/dbraw/zinc/35/19/86/1382351986.db2.gz TZFKJUWVOOMHOM-SFHVURJKSA-N 2 0 337.552 3.291 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001161239736 1382352031 /nfs/dbraw/zinc/35/20/31/1382352031.db2.gz LHOSORXGNBMIMG-UUKMXZOPSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391472 1382396437 /nfs/dbraw/zinc/39/64/37/1382396437.db2.gz RPFZDAKAEFYSTI-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC001161412968 1382402859 /nfs/dbraw/zinc/40/28/59/1382402859.db2.gz NCDFHZRPEBYOAQ-MUGJNUQGSA-N 2 0 343.515 3.045 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161504335 1382425138 /nfs/dbraw/zinc/42/51/38/1382425138.db2.gz IHXASQGDJCQQJG-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001161644614 1382468193 /nfs/dbraw/zinc/46/81/93/1382468193.db2.gz PZRRPWDWVBIHKX-LJQANCHMSA-N 2 0 335.536 3.093 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161649271 1382470153 /nfs/dbraw/zinc/47/01/53/1382470153.db2.gz AEVCSLMAVGAOQD-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC(C)C)CC1 ZINC001161678340 1382478130 /nfs/dbraw/zinc/47/81/30/1382478130.db2.gz FTGDQPLOMPTOLP-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704537 1382485518 /nfs/dbraw/zinc/48/55/18/1382485518.db2.gz CDMXIQOHMRPICB-WOJBJXKFSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)c1cccc(Cl)c1 ZINC001161789448 1382506977 /nfs/dbraw/zinc/50/69/77/1382506977.db2.gz OYWWZEMOSNAGIB-HNNXBMFYSA-N 2 0 349.906 3.125 20 0 EGADRP O=C(NCCC[NH2+]CC/C=C/c1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001161872342 1382536394 /nfs/dbraw/zinc/53/63/94/1382536394.db2.gz BUNPTBHPJZMJIH-RUDMXATFSA-N 2 0 348.450 3.147 20 0 EGADRP CCOc1cc[nH+]c(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162197233 1382654767 /nfs/dbraw/zinc/65/47/67/1382654767.db2.gz KRVMRJHYWPBPBG-QAQDUYKDSA-N 2 0 326.444 3.152 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](Nc2nccc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001162392534 1382745841 /nfs/dbraw/zinc/74/58/41/1382745841.db2.gz GRNLDBZGAQJWIB-RBUKOAKNSA-N 2 0 336.483 3.322 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)C1 ZINC001162396929 1382747516 /nfs/dbraw/zinc/74/75/16/1382747516.db2.gz PTEWINGYDPGYJD-VYDXJSESSA-N 2 0 327.476 3.033 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)nc1 ZINC001162803697 1382877594 /nfs/dbraw/zinc/87/75/94/1382877594.db2.gz UMUAPWGVCYAHCN-NXWXRZEISA-N 2 0 326.488 3.205 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)cc2cc(F)ccc21 ZINC001163122812 1382970620 /nfs/dbraw/zinc/97/06/20/1382970620.db2.gz QRVFPMRFWUBJBC-UHFFFAOYSA-N 2 0 337.830 3.305 20 0 EGADRP Cc1cc(C)c2nc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc(C)c2c1 ZINC001163162471 1382980518 /nfs/dbraw/zinc/98/05/18/1382980518.db2.gz BIEQCINZSYEYMZ-NUJGCVRESA-N 2 0 325.456 3.196 20 0 EGADRP c1cc2[nH]c3cc(NC[C@H]4CO[C@]5(C4)CCC[NH2+]C5)ccc3c2c[nH+]1 ZINC001163288192 1383013631 /nfs/dbraw/zinc/01/36/31/1383013631.db2.gz AHMULAGHDUWXKC-XOBRGWDASA-N 2 0 336.439 3.287 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001163290952 1383013919 /nfs/dbraw/zinc/01/39/19/1383013919.db2.gz WDXIZHBPKQIEMG-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001163821281 1383125583 /nfs/dbraw/zinc/12/55/83/1383125583.db2.gz MPFDZTFJRNATNZ-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1[nH+]c(N2CCC(COCC[NH+]3CCCC3)CC2)cc2[nH]ccc21 ZINC001163883507 1383132327 /nfs/dbraw/zinc/13/23/27/1383132327.db2.gz UIHJUXGQYQOCMD-UHFFFAOYSA-N 2 0 342.487 3.200 20 0 EGADRP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ccc2c(c1)COC21C[NH2+]C1 ZINC001163901783 1383134515 /nfs/dbraw/zinc/13/45/15/1383134515.db2.gz IPCFCHQXCYTCCK-UHFFFAOYSA-N 2 0 339.826 3.071 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001164455503 1383188338 /nfs/dbraw/zinc/18/83/38/1383188338.db2.gz CLBFGWCAKLQMSY-SJLPKXTDSA-N 2 0 349.494 3.105 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001165244625 1383256672 /nfs/dbraw/zinc/25/66/72/1383256672.db2.gz TZJPBUKNVSKUEP-QUCCMNQESA-N 2 0 328.504 3.208 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472548 1383299978 /nfs/dbraw/zinc/29/99/78/1383299978.db2.gz MRCQHIIOZZXTSI-VOFKWLDRSA-N 2 0 349.563 3.197 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472235 1383300357 /nfs/dbraw/zinc/30/03/57/1383300357.db2.gz IFMIKFZOOQZLNJ-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165484745 1383300904 /nfs/dbraw/zinc/30/09/04/1383300904.db2.gz IGQAZFQZOPZVPK-LJQANCHMSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1)[NH+](C)C ZINC001165718983 1383331033 /nfs/dbraw/zinc/33/10/33/1383331033.db2.gz VWDRHQYPYFLBFH-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001165727647 1383334373 /nfs/dbraw/zinc/33/43/73/1383334373.db2.gz FOSLZFKUHXQJFG-IEBWSBKVSA-N 2 0 345.531 3.272 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001165809399 1383348884 /nfs/dbraw/zinc/34/88/84/1383348884.db2.gz BSLWSFGRCMZWII-UHFFFAOYSA-N 2 0 345.531 3.101 20 0 EGADRP O=C(NCCC1(C[NH2+]Cc2ccccc2)CC1)c1ccn2c[nH+]cc2c1 ZINC001165993301 1383374342 /nfs/dbraw/zinc/37/43/42/1383374342.db2.gz UIVDONYZZFFIJW-UHFFFAOYSA-N 2 0 348.450 3.024 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1)[NH+](CC)CC ZINC001166454842 1383424288 /nfs/dbraw/zinc/42/42/88/1383424288.db2.gz OJASIHPUYSJZAC-MAUKXSAKSA-N 2 0 337.483 3.103 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001166881643 1383492882 /nfs/dbraw/zinc/49/28/82/1383492882.db2.gz FKLQWOXMDJXEAR-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP COC(=O)Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc[nH+]1 ZINC001166911520 1383498874 /nfs/dbraw/zinc/49/88/74/1383498874.db2.gz VSNYUHPMGSAFCE-LJQANCHMSA-N 2 0 339.439 3.046 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167225396 1383570302 /nfs/dbraw/zinc/57/03/02/1383570302.db2.gz UEEIRHWRQHMOJO-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167236066 1383571630 /nfs/dbraw/zinc/57/16/30/1383571630.db2.gz GWWBGDYRTMOFGC-PKOBYXMFSA-N 2 0 349.563 3.031 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240587 1383573487 /nfs/dbraw/zinc/57/34/87/1383573487.db2.gz OQJCNLZSKXOXBU-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426009 1383630649 /nfs/dbraw/zinc/63/06/49/1383630649.db2.gz NMDVHDGNCFGHBY-YQHFQFMOSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466153 1383640676 /nfs/dbraw/zinc/64/06/76/1383640676.db2.gz DOXCVNSKMZFUPW-MSOLQXFVSA-N 2 0 339.568 3.275 20 0 EGADRP C[N@H+](CCc1ccccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC001167477105 1383645722 /nfs/dbraw/zinc/64/57/22/1383645722.db2.gz AWMRARDGERHOBJ-CQSZACIVSA-N 2 0 325.294 3.265 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001167480834 1383647348 /nfs/dbraw/zinc/64/73/48/1383647348.db2.gz SUNBGSBCADFXAI-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167481076 1383647456 /nfs/dbraw/zinc/64/74/56/1383647456.db2.gz YZVYIDZWXUZKOF-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001167626430 1383692736 /nfs/dbraw/zinc/69/27/36/1383692736.db2.gz AIXIWNXQLFXEJL-GPVYEGESSA-N 2 0 343.515 3.059 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001167636324 1383694748 /nfs/dbraw/zinc/69/47/48/1383694748.db2.gz SFYHNZZNXGIJQD-HXUWFJFHSA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC001167685230 1383710425 /nfs/dbraw/zinc/71/04/25/1383710425.db2.gz IWFMGEJECDTSGM-XOKHGSTOSA-N 2 0 344.421 3.401 20 0 EGADRP CC[NH+](CC)Cc1cc(-n2nc(C[NH3+])c3ccccc32)ccc1OC ZINC001167701732 1383716008 /nfs/dbraw/zinc/71/60/08/1383716008.db2.gz SVLAHTMPWPOQSE-UHFFFAOYSA-N 2 0 338.455 3.335 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC1(C[NH2+]CC(C)C)CC1)c1ccccc1 ZINC001167711438 1383719861 /nfs/dbraw/zinc/71/98/61/1383719861.db2.gz XYOCVUSGCQQDNI-LJQANCHMSA-N 2 0 345.531 3.212 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001167812266 1383746027 /nfs/dbraw/zinc/74/60/27/1383746027.db2.gz KCPDZUODXMEIRE-CEXWTWQISA-N 2 0 349.563 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC001167827910 1383750762 /nfs/dbraw/zinc/75/07/62/1383750762.db2.gz ZKVVMNRMSSAJAO-SFHVURJKSA-N 2 0 335.511 3.454 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC001167833642 1383753081 /nfs/dbraw/zinc/75/30/81/1383753081.db2.gz CZILMMJUAXUNIH-IBGZPJMESA-N 2 0 347.547 3.323 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001167835270 1383753968 /nfs/dbraw/zinc/75/39/68/1383753968.db2.gz QMQIMNBAKAXGIQ-INIZCTEOSA-N 2 0 336.499 3.290 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2nccc(C)n2)C1 ZINC001167836425 1383754699 /nfs/dbraw/zinc/75/46/99/1383754699.db2.gz ZWIUWMXPCZSJHF-ROUUACIJSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC001167842826 1383757300 /nfs/dbraw/zinc/75/73/00/1383757300.db2.gz ZALUNOLNRHFJEL-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001167916338 1383769463 /nfs/dbraw/zinc/76/94/63/1383769463.db2.gz NROIDJDTUIBVJN-FNEOHHHZSA-N 2 0 347.547 3.095 20 0 EGADRP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940298 1383773000 /nfs/dbraw/zinc/77/30/00/1383773000.db2.gz LIFUQSPGWGCMCS-HGKCTWBKSA-N 2 0 337.467 3.463 20 0 EGADRP COc1cc2c(cc1C)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167969013 1383782802 /nfs/dbraw/zinc/78/28/02/1383782802.db2.gz YCURNQIMLWQKCK-WVVQBRDUSA-N 2 0 340.511 3.466 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH]cn2)cc1 ZINC001167976680 1383783983 /nfs/dbraw/zinc/78/39/83/1383783983.db2.gz CYZUNCAZMKCXMR-INIZCTEOSA-N 2 0 342.487 3.008 20 0 EGADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC[NH+](CC2CCC2)CC1 ZINC001167975632 1383784561 /nfs/dbraw/zinc/78/45/61/1383784561.db2.gz SQHOTWUXIJAIEP-FRIKZZABSA-N 3 0 345.575 3.494 20 0 EGADRP CC(C)(C)OC(=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167981784 1383786838 /nfs/dbraw/zinc/78/68/38/1383786838.db2.gz JZCFBYZNMUYYIM-ALOPSCKCSA-N 2 0 334.504 3.103 20 0 EGADRP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003008 1383793003 /nfs/dbraw/zinc/79/30/03/1383793003.db2.gz HMPDARCWXMRJJF-IXJHQVLRSA-N 2 0 346.515 3.055 20 0 EGADRP CSCC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012181 1383796516 /nfs/dbraw/zinc/79/65/16/1383796516.db2.gz XNSVBVADGDVFOC-NBMJBFSESA-N 2 0 336.545 3.132 20 0 EGADRP C[C@H]1CC([NH2+]CCOc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168020884 1383798317 /nfs/dbraw/zinc/79/83/17/1383798317.db2.gz OIAJDNIIJMPDQQ-ROUUACIJSA-N 2 0 339.483 3.492 20 0 EGADRP CCC(=O)N1CC[C@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168031832 1383799803 /nfs/dbraw/zinc/79/98/03/1383799803.db2.gz FFQIRLVYOPRASY-LNLFQRSKSA-N 2 0 343.515 3.029 20 0 EGADRP CCOC(=O)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029673 1383800060 /nfs/dbraw/zinc/80/00/60/1383800060.db2.gz UMLPZAWVPKLRTD-VXIBKDFQSA-N 2 0 332.488 3.217 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2nncs2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036853 1383801429 /nfs/dbraw/zinc/80/14/29/1383801429.db2.gz VXMNTDOSSLKKPQ-SCAQPMJSSA-N 2 0 330.501 3.112 20 0 EGADRP C[C@H]1CC(N2CCC[C@H]2C[NH+](C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063372 1383808050 /nfs/dbraw/zinc/80/80/50/1383808050.db2.gz NECLTKYLQXBQJY-BJLQDIEVSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H]1CC([N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065507 1383808349 /nfs/dbraw/zinc/80/83/49/1383808349.db2.gz XBIHDERHJMHLTD-PLOVASNDSA-N 2 0 327.516 3.064 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168146438 1383827563 /nfs/dbraw/zinc/82/75/63/1383827563.db2.gz IKIMRMOHTSRWCK-GOSISDBHSA-N 2 0 343.515 3.028 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CC1 ZINC001168321460 1383872686 /nfs/dbraw/zinc/87/26/86/1383872686.db2.gz HONCHYUDJWTHSA-RJYAGPCLSA-N 2 0 347.528 3.050 20 0 EGADRP COc1ccccc1[C@@H](O)C[N@H+](C(C)C)C1CCC([NH+](C)C)CC1 ZINC001168327877 1383874177 /nfs/dbraw/zinc/87/41/77/1383874177.db2.gz RTKHXXDAJCXBOH-TVPLGVNVSA-N 2 0 334.504 3.312 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(N3CCc4ccccc4C3)CC2)CC1 ZINC001168328187 1383874266 /nfs/dbraw/zinc/87/42/66/1383874266.db2.gz YXBFAWSJZHJMGF-UHFFFAOYSA-N 2 0 341.543 3.382 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001168327573 1383874404 /nfs/dbraw/zinc/87/44/04/1383874404.db2.gz OWIQSJUTDVZMGA-MWXLCCTBSA-N 3 0 329.532 3.313 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168335833 1383876964 /nfs/dbraw/zinc/87/69/64/1383876964.db2.gz VVWZWKIUOLJVEN-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP [NH3+]Cc1ccc(NC2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)c1 ZINC001168362792 1383883900 /nfs/dbraw/zinc/88/39/00/1383883900.db2.gz JFZBIZHIQSABIG-UHFFFAOYSA-N 2 0 327.394 3.450 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365844 1383884247 /nfs/dbraw/zinc/88/42/47/1383884247.db2.gz YAKYTXDIIWTGOO-MXVIHJGJSA-N 3 0 342.531 3.028 20 0 EGADRP COc1cccc2c1SC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168368795 1383885376 /nfs/dbraw/zinc/88/53/76/1383885376.db2.gz PNEYCBPHGWBYSH-KRWDZBQOSA-N 2 0 332.513 3.176 20 0 EGADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH+](CC3CC3)CC2)c1 ZINC001168379333 1383889960 /nfs/dbraw/zinc/88/99/60/1383889960.db2.gz HXYTYZMSBYUVBB-KDURUIRLSA-N 2 0 345.556 3.271 20 0 EGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387787 1383891705 /nfs/dbraw/zinc/89/17/05/1383891705.db2.gz UJSFIKQKPPEGAV-OAQYLSRUSA-N 2 0 341.543 3.315 20 0 EGADRP c1ccc2c(c1)CC1(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC1)O2 ZINC001168387698 1383891772 /nfs/dbraw/zinc/89/17/72/1383891772.db2.gz QEFZKRXQYZKBBS-UHFFFAOYSA-N 2 0 326.484 3.331 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CC[NH+]1C1CCCC1 ZINC001306525645 1383894384 /nfs/dbraw/zinc/89/43/84/1383894384.db2.gz YVNBTBNZQLCOKI-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CC2CCCCC2)cc1 ZINC001168442711 1383906608 /nfs/dbraw/zinc/90/66/08/1383906608.db2.gz WQZJOPDPYDBGEX-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1csc(C)c1 ZINC001168607599 1383946983 /nfs/dbraw/zinc/94/69/83/1383946983.db2.gz XMHQKIITSQIMQT-UHFFFAOYSA-N 2 0 339.549 3.165 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CCCc1ccccc1)C(C)C ZINC001168653478 1383959825 /nfs/dbraw/zinc/95/98/25/1383959825.db2.gz SQCRJCXDMDARBF-FQEVSTJZSA-N 2 0 347.547 3.082 20 0 EGADRP COC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001168751456 1383993192 /nfs/dbraw/zinc/99/31/92/1383993192.db2.gz XOIRKJGNRGRLGO-LWEYNCJUSA-N 2 0 344.499 3.220 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168820603 1384018427 /nfs/dbraw/zinc/01/84/27/1384018427.db2.gz ZFYMNYCXUQKEFR-IAGOWNOFSA-N 2 0 339.524 3.240 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3F)CCOCC1)C2 ZINC001169116894 1384109051 /nfs/dbraw/zinc/10/90/51/1384109051.db2.gz SPMOISUMKZAYMF-REPLKXPHSA-N 2 0 346.490 3.380 20 0 EGADRP COc1cccc(CC2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCOCC2)c1 ZINC001169117360 1384109235 /nfs/dbraw/zinc/10/92/35/1384109235.db2.gz ZBUPUVZUSXVGSY-REPLKXPHSA-N 2 0 344.499 3.002 20 0 EGADRP CC1(C)C[C@@H](Nc2ncc(F)c(C3CC[NH2+]CC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001169142202 1384112893 /nfs/dbraw/zinc/11/28/93/1384112893.db2.gz LTOMWBLOKUNNMJ-AUUYWEPGSA-N 2 0 349.498 3.038 20 0 EGADRP COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147020 1384115003 /nfs/dbraw/zinc/11/50/03/1384115003.db2.gz RFTBNWCSMDXUTH-OQIJWPOYSA-N 2 0 332.488 3.157 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C2 ZINC001169162498 1384117625 /nfs/dbraw/zinc/11/76/25/1384117625.db2.gz UCZWBGUJELTHEV-WKCHPHFGSA-N 2 0 345.506 3.347 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001169191485 1384121263 /nfs/dbraw/zinc/12/12/63/1384121263.db2.gz GPOUWNIIUQWRQW-HNNXBMFYSA-N 2 0 335.455 3.254 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169220443 1384123896 /nfs/dbraw/zinc/12/38/96/1384123896.db2.gz QIYOIPLQAWNDIN-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169274349 1384130708 /nfs/dbraw/zinc/13/07/08/1384130708.db2.gz GDCZIFMLXFQUPI-IVMQYODDSA-N 2 0 330.472 3.086 20 0 EGADRP [NH3+]Cc1ccccc1C[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169281356 1384131740 /nfs/dbraw/zinc/13/17/40/1384131740.db2.gz GGWLQGCVEVURPZ-UHFFFAOYSA-N 2 0 338.451 3.403 20 0 EGADRP Cc1cc(N[C@H]2CCC[N@H+](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001308685130 1384142131 /nfs/dbraw/zinc/14/21/31/1384142131.db2.gz KUQLTVCONFQRLB-SFHVURJKSA-N 2 0 330.520 3.032 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CC[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001308740346 1384146168 /nfs/dbraw/zinc/14/61/68/1384146168.db2.gz IPAQCSYHRISJSU-CEWLAPEOSA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@H]2CC[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001308740349 1384146234 /nfs/dbraw/zinc/14/62/34/1384146234.db2.gz IPAQCSYHRISJSU-TYPHKJRUSA-N 2 0 329.532 3.359 20 0 EGADRP COc1ccc2[nH+]c(C)cc(N3CCCc4ccc(C[NH3+])nc43)c2c1 ZINC001169591454 1384162945 /nfs/dbraw/zinc/16/29/45/1384162945.db2.gz XHIWATWYTIFBSW-UHFFFAOYSA-N 2 0 334.423 3.490 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001169661204 1384170199 /nfs/dbraw/zinc/17/01/99/1384170199.db2.gz GYBDQUMPNVOCNF-HNNXBMFYSA-N 2 0 339.524 3.238 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc[nH+]c(N2CCOCC2)c1 ZINC001169694555 1384174554 /nfs/dbraw/zinc/17/45/54/1384174554.db2.gz CLDTYCHAHAAFFW-GOSISDBHSA-N 2 0 338.455 3.158 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001169957894 1384204591 /nfs/dbraw/zinc/20/45/91/1384204591.db2.gz GIYXHHFEFCINPA-SFHVURJKSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001169959502 1384205042 /nfs/dbraw/zinc/20/50/42/1384205042.db2.gz YJAWADVIGFKCPM-INIZCTEOSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)C1 ZINC001170137809 1384245266 /nfs/dbraw/zinc/24/52/66/1384245266.db2.gz OUMWPOYQCCPGOF-YZGWKJHDSA-N 2 0 343.515 3.326 20 0 EGADRP C[C@H](Cc1ccccc1Cl)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001170257326 1384277268 /nfs/dbraw/zinc/27/72/68/1384277268.db2.gz YRZFBDGHYCXRFJ-SECBINFHSA-N 2 0 330.910 3.155 20 0 EGADRP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001312658110 1384363664 /nfs/dbraw/zinc/36/36/64/1384363664.db2.gz CSNCEORHKRUTQU-LNLFQRSKSA-N 2 0 348.535 3.097 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170751740 1384378808 /nfs/dbraw/zinc/37/88/08/1384378808.db2.gz UYXXZOVPTFSXJC-OXUXSNCKSA-N 2 0 337.552 3.480 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170768930 1384382319 /nfs/dbraw/zinc/38/23/19/1384382319.db2.gz AMNHXXAIZMZIMV-KRWDZBQOSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170770413 1384382807 /nfs/dbraw/zinc/38/28/07/1384382807.db2.gz WEKSFWJEZJFLOI-GOSISDBHSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820079 1384391624 /nfs/dbraw/zinc/39/16/24/1384391624.db2.gz WOTZOYUMFAKLQA-MJGOQNOKSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170845541 1384397360 /nfs/dbraw/zinc/39/73/60/1384397360.db2.gz RSWWACWHLSWCFA-QGZVFWFLSA-N 2 0 337.305 3.238 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CCC(C)(C)C ZINC001170877561 1384403388 /nfs/dbraw/zinc/40/33/88/1384403388.db2.gz YITIPSOJMZQFNP-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP Fc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC001170968269 1384420022 /nfs/dbraw/zinc/42/00/22/1384420022.db2.gz CJRDFHZODLKTRT-GOSISDBHSA-N 2 0 346.490 3.164 20 0 EGADRP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170971483 1384420795 /nfs/dbraw/zinc/42/07/95/1384420795.db2.gz OPJRPOVCXPKSLS-SFHVURJKSA-N 2 0 339.458 3.114 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cnc(C[NH3+])nc3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001171029695 1384432932 /nfs/dbraw/zinc/43/29/32/1384432932.db2.gz JFOYWWZRFAKFBW-AUTURXRWSA-N 2 0 345.535 3.306 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171068199 1384440769 /nfs/dbraw/zinc/44/07/69/1384440769.db2.gz FAXAPTYTCMIMJI-SJLPKXTDSA-N 2 0 345.547 3.367 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171069826 1384441342 /nfs/dbraw/zinc/44/13/42/1384441342.db2.gz VSWSGDFYJRNEIJ-IRXDYDNUSA-N 2 0 345.547 3.367 20 0 EGADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171085345 1384443221 /nfs/dbraw/zinc/44/32/21/1384443221.db2.gz HCQPSRXVZAJLQQ-VNHYZAJKSA-N 2 0 325.283 3.344 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001316603562 1384471478 /nfs/dbraw/zinc/47/14/78/1384471478.db2.gz QEFWDJGOIFDPCQ-XLIONFOSSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001171226665 1384473911 /nfs/dbraw/zinc/47/39/11/1384473911.db2.gz JBOHOUPBYQXSJM-ZWKOTPCHSA-N 2 0 345.531 3.309 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235235 1384476156 /nfs/dbraw/zinc/47/61/56/1384476156.db2.gz GKBKYPKWXIZACY-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253690 1384479211 /nfs/dbraw/zinc/47/92/11/1384479211.db2.gz GTMHWLRBTWUHNO-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001316616466 1384483699 /nfs/dbraw/zinc/48/36/99/1384483699.db2.gz VXYYBFWWCNIHQV-HDICACEKSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001171367679 1384503206 /nfs/dbraw/zinc/50/32/06/1384503206.db2.gz PDLXQVCZCUITRJ-QUCCMNQESA-N 2 0 347.547 3.346 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439118 1384524172 /nfs/dbraw/zinc/52/41/72/1384524172.db2.gz WPSHOXODKAHXIH-IBGZPJMESA-N 2 0 347.522 3.033 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171499021 1384543341 /nfs/dbraw/zinc/54/33/41/1384543341.db2.gz JOJDGIGRKRODJZ-KRWDZBQOSA-N 2 0 343.421 3.348 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001171508443 1384544954 /nfs/dbraw/zinc/54/49/54/1384544954.db2.gz DQLDWEHNGIFLQR-IEBWSBKVSA-N 2 0 337.552 3.482 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171520834 1384549672 /nfs/dbraw/zinc/54/96/72/1384549672.db2.gz PWTHUNKGHKNNOL-BFHYXJOUSA-N 2 0 326.406 3.424 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@@H]2C1 ZINC001171546203 1384558765 /nfs/dbraw/zinc/55/87/65/1384558765.db2.gz HAXRBERYHRWLDF-ZNMIVQPWSA-N 2 0 338.417 3.235 20 0 EGADRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)CC1 ZINC001171544748 1384558968 /nfs/dbraw/zinc/55/89/68/1384558968.db2.gz ZGSVXTZUIIUTJT-AWEZNQCLSA-N 2 0 338.417 3.379 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171570652 1384567432 /nfs/dbraw/zinc/56/74/32/1384567432.db2.gz NEYCKQMBXDAQID-NRFANRHFSA-N 2 0 343.559 3.202 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC001171622171 1384582744 /nfs/dbraw/zinc/58/27/44/1384582744.db2.gz WSVHCOHAQVUVPL-HNNXBMFYSA-N 2 0 339.524 3.237 20 0 EGADRP CCc1nc(C2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)no1 ZINC001171641056 1384589432 /nfs/dbraw/zinc/58/94/32/1384589432.db2.gz BFDDIQWPSFJVGZ-UHFFFAOYSA-N 2 0 334.508 3.463 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171646019 1384591013 /nfs/dbraw/zinc/59/10/13/1384591013.db2.gz HBJDTXVUWRBYLP-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(CC[C@H](C)[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC001171674016 1384598348 /nfs/dbraw/zinc/59/83/48/1384598348.db2.gz ITLWSCABBKVLLG-IBGZPJMESA-N 2 0 329.532 3.028 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171675080 1384598847 /nfs/dbraw/zinc/59/88/47/1384598847.db2.gz XIFVAZYRLLFHHE-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC001171730418 1384617204 /nfs/dbraw/zinc/61/72/04/1384617204.db2.gz YQMQOYZTDNCEFS-ZBFHGGJFSA-N 2 0 326.419 3.189 20 0 EGADRP CCC[N@H+](CCC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171828684 1384652756 /nfs/dbraw/zinc/65/27/56/1384652756.db2.gz MDMJJZAXLKAHNC-INIZCTEOSA-N 2 0 339.524 3.369 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171877402 1384668603 /nfs/dbraw/zinc/66/86/03/1384668603.db2.gz OWCGPWVMIDNEDK-XUVXKRRUSA-N 2 0 343.515 3.144 20 0 EGADRP C[C@H](CCCC[NH2+]CCCF)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171924730 1384684009 /nfs/dbraw/zinc/68/40/09/1384684009.db2.gz SXEAKEOMGSVUPO-QGZVFWFLSA-N 2 0 343.531 3.123 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CC1 ZINC001171944530 1384691371 /nfs/dbraw/zinc/69/13/71/1384691371.db2.gz QHDFOTSIBVLPOX-LYGPFTKASA-N 2 0 326.525 3.489 20 0 EGADRP Cc1ncn([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1CC[NH3+] ZINC001171970070 1384698367 /nfs/dbraw/zinc/69/83/67/1384698367.db2.gz YCIWPNDNHHEJEZ-GOSISDBHSA-N 3 0 326.488 3.308 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC[NH3+])CC12CCCCC2 ZINC001172056026 1384714037 /nfs/dbraw/zinc/71/40/37/1384714037.db2.gz BJHVSMPVDOVSJB-INIZCTEOSA-N 2 0 339.524 3.417 20 0 EGADRP OCC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC001172062692 1384715151 /nfs/dbraw/zinc/71/51/51/1384715151.db2.gz QQTINUSMNQUZOH-OWZKRDHZSA-N 2 0 328.500 3.324 20 0 EGADRP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065406 1384716777 /nfs/dbraw/zinc/71/67/77/1384716777.db2.gz MMJICSWAEGLMMS-DHUDUYKCSA-N 2 0 342.483 3.113 20 0 EGADRP CCN(CC[NH+](C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076575 1384720029 /nfs/dbraw/zinc/72/00/29/1384720029.db2.gz GBEKURMUIKDBSF-WKCHPHFGSA-N 2 0 329.532 3.456 20 0 EGADRP C[NH+](C)CCC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172089918 1384724694 /nfs/dbraw/zinc/72/46/94/1384724694.db2.gz KRJRNEJPUKQYKE-BJWYYQGGSA-N 2 0 339.524 3.191 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C2 ZINC001172106567 1384728575 /nfs/dbraw/zinc/72/85/75/1384728575.db2.gz QENXXDFVAHHDKW-YYIAUSFCSA-N 2 0 342.405 3.344 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1CCN(C(=O)C(C)(C)C)CC1)C2 ZINC001172105947 1384728719 /nfs/dbraw/zinc/72/87/19/1384728719.db2.gz LMHWJXBCWNAGGC-REPLKXPHSA-N 2 0 349.563 3.266 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109887 1384729031 /nfs/dbraw/zinc/72/90/31/1384729031.db2.gz GMQHDAOUYHAGTC-JAHJHUCASA-N 2 0 342.531 3.169 20 0 EGADRP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112724 1384730487 /nfs/dbraw/zinc/73/04/87/1384730487.db2.gz ZAGITTGKHOZYSQ-OKYOBFRVSA-N 2 0 337.552 3.168 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172113569 1384730562 /nfs/dbraw/zinc/73/05/62/1384730562.db2.gz KMWUYYYXDKJPTP-WJMWBRGCSA-N 2 0 331.548 3.412 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115346 1384730721 /nfs/dbraw/zinc/73/07/21/1384730721.db2.gz WKCVKNZUTKOJOF-RQXATKFSSA-N 2 0 327.516 3.112 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001172118485 1384732303 /nfs/dbraw/zinc/73/23/03/1384732303.db2.gz QXHFSNFEUQTGNY-NXOAAHMSSA-N 2 0 339.524 3.141 20 0 EGADRP COC(=O)c1ccc2c(c1)c(C[NH3+])cn2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116285 1384733656 /nfs/dbraw/zinc/73/36/56/1384733656.db2.gz GQWCOAOEYDNYRM-FVQHAEBGSA-N 2 0 341.455 3.074 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](C3(c4ccccc4)CC3)CC1)C2 ZINC001172122357 1384734005 /nfs/dbraw/zinc/73/40/05/1384734005.db2.gz AEUDDIWPRZYRIZ-AERCQKQUSA-N 2 0 339.527 3.309 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122742 1384734105 /nfs/dbraw/zinc/73/41/05/1384734105.db2.gz UAILMEHCEXHWRC-YYIAUSFCSA-N 2 0 336.426 3.433 20 0 EGADRP COc1ccccc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121748 1384734337 /nfs/dbraw/zinc/73/43/37/1384734337.db2.gz LXBUEWHJIQDWHR-MHORFTMASA-N 2 0 330.472 3.164 20 0 EGADRP CCCc1noc([C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)n1 ZINC001172129151 1384737713 /nfs/dbraw/zinc/73/77/13/1384737713.db2.gz XARMCIMLPJUJOI-WCXIOVBPSA-N 2 0 332.492 3.217 20 0 EGADRP O=C1CC[C@H]2C[C@H]([NH2+]CC3CC[NH+](CC4CCCCC4)CC3)CCN12 ZINC001172163775 1384740616 /nfs/dbraw/zinc/74/06/16/1384740616.db2.gz XDGHAJREXIHCOI-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(Cc3cccc(OC)c3)CC2)CC1 ZINC001172248418 1384755720 /nfs/dbraw/zinc/75/57/20/1384755720.db2.gz GVIKYLAJIJKPLU-UHFFFAOYSA-N 2 0 346.515 3.108 20 0 EGADRP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CO1 ZINC001172292186 1384761514 /nfs/dbraw/zinc/76/15/14/1384761514.db2.gz NZXMICCEHWBXKR-AQNXPRMDSA-N 2 0 328.500 3.398 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172335364 1384773250 /nfs/dbraw/zinc/77/32/50/1384773250.db2.gz JPFKQSZQUHKIFD-QZTJIDSGSA-N 2 0 333.520 3.477 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)N(c1cc(OC)cc[nH+]1)C1CC[NH2+]CC1 ZINC001172363038 1384777983 /nfs/dbraw/zinc/77/79/83/1384777983.db2.gz ZRRINSXEIWVFHV-HZPDHXFCSA-N 2 0 335.492 3.242 20 0 EGADRP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C[C@@H]1C ZINC001172374922 1384780045 /nfs/dbraw/zinc/78/00/45/1384780045.db2.gz QFBZLEHNQIBLJC-CXUGJCBMSA-N 2 0 334.548 3.491 20 0 EGADRP CC(C)OCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001172448181 1384794231 /nfs/dbraw/zinc/79/42/31/1384794231.db2.gz AEGRPQFXNLTXSK-YZGWKJHDSA-N 2 0 338.536 3.013 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001172601998 1384816779 /nfs/dbraw/zinc/81/67/79/1384816779.db2.gz MKVHESABUOPXEB-MJGOQNOKSA-N 2 0 336.520 3.353 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001172795828 1384854188 /nfs/dbraw/zinc/85/41/88/1384854188.db2.gz CEHNOVGMBAZADC-ZWKOTPCHSA-N 2 0 336.520 3.353 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)CC1 ZINC001172803823 1384855692 /nfs/dbraw/zinc/85/56/92/1384855692.db2.gz QZHVUJIRFZXMSP-DLBZAZTESA-N 2 0 345.487 3.070 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001317100087 1384863129 /nfs/dbraw/zinc/86/31/29/1384863129.db2.gz GDOKBJJPYWNQNF-IHWFROFDSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC001172952562 1384888875 /nfs/dbraw/zinc/88/88/75/1384888875.db2.gz GQPBODOBTBPTAP-DLBZAZTESA-N 2 0 341.540 3.486 20 0 EGADRP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001173081960 1384909984 /nfs/dbraw/zinc/90/99/84/1384909984.db2.gz HZSOAFGNJZTYHC-DZGCQCFKSA-N 2 0 330.394 3.448 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2CN(Cc3ccccc3)C2)CC1 ZINC001173101095 1384914864 /nfs/dbraw/zinc/91/48/64/1384914864.db2.gz CRSSMEYAUAXOKN-UHFFFAOYSA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)Cc2ccc(F)cc2F)CC1 ZINC001173108458 1384916392 /nfs/dbraw/zinc/91/63/92/1384916392.db2.gz LGWNWZKTUBDUKK-ADKAHSJRSA-N 2 0 340.458 3.111 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC001173107397 1384916520 /nfs/dbraw/zinc/91/65/20/1384916520.db2.gz QESOCUBJBPKCBI-JLAWEPINSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3nc(C4CC4)ncc3C2)CC1 ZINC001173112579 1384917264 /nfs/dbraw/zinc/91/72/64/1384917264.db2.gz CKYLEBAYQRFGMW-UHFFFAOYSA-N 2 0 328.504 3.365 20 0 EGADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2ncsc2C1 ZINC001173144198 1384922969 /nfs/dbraw/zinc/92/29/69/1384922969.db2.gz SMXYBOXXIZCGOZ-QZTJIDSGSA-N 2 0 341.524 3.454 20 0 EGADRP COc1cccc2c1C[C@H]([NH+]1CCC(C3CC[NH+](C)CC3)CC1)CO2 ZINC001173162305 1384927507 /nfs/dbraw/zinc/92/75/07/1384927507.db2.gz VPZRYXPIYCBPON-SFHVURJKSA-N 2 0 344.499 3.053 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317170742 1384937191 /nfs/dbraw/zinc/93/71/91/1384937191.db2.gz GXNRMBUPASNECW-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccc(C[C@@H](C)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC001173245697 1384944743 /nfs/dbraw/zinc/94/47/43/1384944743.db2.gz URDHVIZGXAEUAO-QAPCUYQASA-N 2 0 349.519 3.359 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001173444777 1384971951 /nfs/dbraw/zinc/97/19/51/1384971951.db2.gz JKUYZSIJGGRZPJ-MRXNPFEDSA-N 2 0 326.525 3.456 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201448 1384978052 /nfs/dbraw/zinc/97/80/52/1384978052.db2.gz AWNLSYWXYYAMMB-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@H+](C)CCO ZINC001173547497 1384981201 /nfs/dbraw/zinc/98/12/01/1384981201.db2.gz QXSASFJLQNPEML-ZDUSSCGKSA-N 2 0 333.303 3.218 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001317217866 1384998270 /nfs/dbraw/zinc/99/82/70/1384998270.db2.gz LIHXMGRFTHULMT-WWDZGPRUSA-N 2 0 337.552 3.314 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001173708422 1385006528 /nfs/dbraw/zinc/00/65/28/1385006528.db2.gz HYINVPHRPQIAFY-BZSNNMDCSA-N 2 0 346.515 3.362 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCCC[C@H](CCC[NH3+])C2)cc1 ZINC001173719912 1385008491 /nfs/dbraw/zinc/00/84/91/1385008491.db2.gz JJFZGEIISHHJQW-FUHWJXTLSA-N 2 0 332.488 3.245 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1ccc(OC2CC[NH+](C)CC2)cn1 ZINC001173928609 1385032121 /nfs/dbraw/zinc/03/21/21/1385032121.db2.gz GHJKKMGGPABIBB-UHFFFAOYSA-N 2 0 340.471 3.360 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001317279919 1385050042 /nfs/dbraw/zinc/05/00/42/1385050042.db2.gz IRHAYGIPXGNMNH-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001317280349 1385050599 /nfs/dbraw/zinc/05/05/99/1385050599.db2.gz QYAMZPALLLSKDK-OXQOHEQNSA-N 2 0 341.499 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001317280602 1385051458 /nfs/dbraw/zinc/05/14/58/1385051458.db2.gz SVVDXDDLWXGDFT-IAGOWNOFSA-N 2 0 341.499 3.337 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001317407899 1385119870 /nfs/dbraw/zinc/11/98/70/1385119870.db2.gz GXKDEOVIHXXDFF-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174927120 1385171074 /nfs/dbraw/zinc/17/10/74/1385171074.db2.gz ARLDEDLZGXCADH-QZTJIDSGSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928558 1385171091 /nfs/dbraw/zinc/17/10/91/1385171091.db2.gz KETOIWVPANZXSX-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001174947780 1385173107 /nfs/dbraw/zinc/17/31/07/1385173107.db2.gz FDJWTLLLNAIYMA-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174960139 1385175035 /nfs/dbraw/zinc/17/50/35/1385175035.db2.gz FDUNCUWNIUOUHH-QZTJIDSGSA-N 2 0 333.520 3.354 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001317500863 1385203156 /nfs/dbraw/zinc/20/31/56/1385203156.db2.gz CPUILGDWMBPUJB-PXNSSMCTSA-N 2 0 343.515 3.121 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@H]2CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317501384 1385203755 /nfs/dbraw/zinc/20/37/55/1385203755.db2.gz LAQCIPDHVZJSNJ-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)[NH+](CC)CC ZINC001175217737 1385223067 /nfs/dbraw/zinc/22/30/67/1385223067.db2.gz JLSYUVWPRLHZDH-WQHRRFGKSA-N 2 0 331.932 3.124 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257266 1385231820 /nfs/dbraw/zinc/23/18/20/1385231820.db2.gz XYNQJSOOWAODHS-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257208 1385231899 /nfs/dbraw/zinc/23/18/99/1385231899.db2.gz WUTGSVWTPJJNDY-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175262202 1385232677 /nfs/dbraw/zinc/23/26/77/1385232677.db2.gz DGFWJRVOWLDWEL-QGZVFWFLSA-N 2 0 333.520 3.077 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC001335942408 1388972254 /nfs/dbraw/zinc/97/22/54/1388972254.db2.gz PSGXWNKNCUBVRE-OAQYLSRUSA-N 2 0 326.484 3.220 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175566700 1385334014 /nfs/dbraw/zinc/33/40/14/1385334014.db2.gz YGGIFPUGWNEDOQ-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175566743 1385334394 /nfs/dbraw/zinc/33/43/94/1385334394.db2.gz ZDMHUDPWQQMXRU-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001317635477 1385366814 /nfs/dbraw/zinc/36/68/14/1385366814.db2.gz CHYUQDSTPBFBDG-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001317636399 1385367216 /nfs/dbraw/zinc/36/72/16/1385367216.db2.gz NQXZGCZJHALAJC-QFBILLFUSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001317672023 1385378467 /nfs/dbraw/zinc/37/84/67/1385378467.db2.gz PUAQLIBOXTVODN-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1)C(C)C ZINC001175747855 1385394743 /nfs/dbraw/zinc/39/47/43/1385394743.db2.gz UZIOQEFUGIEVAG-PKOBYXMFSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176111090 1385486985 /nfs/dbraw/zinc/48/69/85/1385486985.db2.gz FWGJCXDKQHERRE-FXAWDEMLSA-N 2 0 333.520 3.136 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164674 1385500271 /nfs/dbraw/zinc/50/02/71/1385500271.db2.gz DCSPLGQKNUMWKE-MSOLQXFVSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176166524 1385500674 /nfs/dbraw/zinc/50/06/74/1385500674.db2.gz RVWRMVLDPFZABT-ROUUACIJSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cc(Nc2ccc(OCC[NH+](C)C)cc2)n(-c2cc[nH+]cc2)n1 ZINC001176229361 1385519935 /nfs/dbraw/zinc/51/99/35/1385519935.db2.gz DPKWQVUJCGMGEV-UHFFFAOYSA-N 2 0 337.427 3.260 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CCCC[NH+](C)C ZINC001176231890 1385522227 /nfs/dbraw/zinc/52/22/27/1385522227.db2.gz YNLCOEXMIKLMFS-QGZVFWFLSA-N 2 0 331.520 3.123 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001317988273 1385601223 /nfs/dbraw/zinc/60/12/23/1385601223.db2.gz SGTNQNRGRINOBQ-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563966 1385626541 /nfs/dbraw/zinc/62/65/41/1385626541.db2.gz IWJWQTIAGLUPIZ-RTBURBONSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]CC[C@H](C)F)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629547 1385643143 /nfs/dbraw/zinc/64/31/43/1385643143.db2.gz ZAWBVEWUNYITGB-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001176753917 1385684170 /nfs/dbraw/zinc/68/41/70/1385684170.db2.gz OFLUJRJNIJFIHB-SFHVURJKSA-N 2 0 333.520 3.100 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176754144 1385684373 /nfs/dbraw/zinc/68/43/73/1385684373.db2.gz RRQBGLAOBFWXAN-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001176754674 1385684890 /nfs/dbraw/zinc/68/48/90/1385684890.db2.gz XXZKXSPILGZYKP-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001176759618 1385686487 /nfs/dbraw/zinc/68/64/87/1385686487.db2.gz LWYFGEVACWXTSD-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318435967 1385687486 /nfs/dbraw/zinc/68/74/86/1385687486.db2.gz DOZVSWPCNSINGQ-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001176991448 1385765454 /nfs/dbraw/zinc/76/54/54/1385765454.db2.gz BBLORDDQRRJBBG-RTBURBONSA-N 2 0 331.504 3.108 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001176996770 1385768621 /nfs/dbraw/zinc/76/86/21/1385768621.db2.gz CPINEKYWOXLUQD-AZUAARDMSA-N 2 0 345.531 3.354 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1C ZINC001698620108 1406257439 /nfs/dbraw/zinc/25/74/39/1406257439.db2.gz GDURNAFWYKUXOM-MJGOQNOKSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001177317297 1385911980 /nfs/dbraw/zinc/91/19/80/1385911980.db2.gz UABHPTVOBUKDNG-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)[C@H](C(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1)C1CC1 ZINC001177339751 1385919620 /nfs/dbraw/zinc/91/96/20/1385919620.db2.gz NDYFEJBHMMPQSR-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1)[NH+](C)C ZINC001177348931 1385924379 /nfs/dbraw/zinc/92/43/79/1385924379.db2.gz RVPBLXCKEIXROU-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177352910 1385926138 /nfs/dbraw/zinc/92/61/38/1385926138.db2.gz QJRBQLBSZLCVAK-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)C1 ZINC001177415721 1385948541 /nfs/dbraw/zinc/94/85/41/1385948541.db2.gz JIVHSQRQXPAAGE-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177488706 1385975602 /nfs/dbraw/zinc/97/56/02/1385975602.db2.gz IJDOVKVTWJAHNZ-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N(CCC[NH2+]CC[C@H](C)F)CC1CCCC1 ZINC001177489257 1385976761 /nfs/dbraw/zinc/97/67/61/1385976761.db2.gz XBCKDKKEPLTZTR-KRWDZBQOSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001319199283 1386003454 /nfs/dbraw/zinc/00/34/54/1386003454.db2.gz VABGVPBNZDOGBV-HUUCEWRRSA-N 2 0 336.476 3.095 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CCCC1)[NH+](C)C ZINC001319385262 1386095872 /nfs/dbraw/zinc/09/58/72/1386095872.db2.gz JRNYJHHFUAKOGH-IBGZPJMESA-N 2 0 345.531 3.162 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001178045515 1386114933 /nfs/dbraw/zinc/11/49/33/1386114933.db2.gz NDEBUZMECPDGGL-DRHVUCGNSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001178045672 1386115692 /nfs/dbraw/zinc/11/56/92/1386115692.db2.gz RSBUTLYUWIFOTR-PMACEKPBSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178467875 1386226646 /nfs/dbraw/zinc/22/66/46/1386226646.db2.gz JMTUYSHNMCJNKV-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178526810 1386241005 /nfs/dbraw/zinc/24/10/05/1386241005.db2.gz CXUYNOQHNCPVQB-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCC2=CCCCC2)CC[N@@H+]1C ZINC001178523426 1386241280 /nfs/dbraw/zinc/24/12/80/1386241280.db2.gz YZYDKNRXCXXLRO-UYAOXDASSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178692830 1386279829 /nfs/dbraw/zinc/27/98/29/1386279829.db2.gz CYONLWZNIWXTFS-MSOLQXFVSA-N 2 0 343.531 3.264 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698221 1386281735 /nfs/dbraw/zinc/28/17/35/1386281735.db2.gz BXOXXYKOHLPMRP-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707642 1386285285 /nfs/dbraw/zinc/28/52/85/1386285285.db2.gz KJISEMYWXCCCRT-NSHGMRRFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]2C)CC[N@@H+]1C ZINC001178736572 1386292703 /nfs/dbraw/zinc/29/27/03/1386292703.db2.gz XENRJTDKMLNVCR-XLAORIBOSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1)[NH+](C)C ZINC001178816019 1386316006 /nfs/dbraw/zinc/31/60/06/1386316006.db2.gz RPXPKZTXKXIEMJ-HZPDHXFCSA-N 2 0 347.494 3.028 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001178819396 1386316772 /nfs/dbraw/zinc/31/67/72/1386316772.db2.gz NDUGJFOVBSDTCX-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001178854030 1386329418 /nfs/dbraw/zinc/32/94/18/1386329418.db2.gz VFNVXOIKIVHKGX-UHFFFAOYSA-N 2 0 347.547 3.492 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878705 1386336409 /nfs/dbraw/zinc/33/64/09/1386336409.db2.gz XBMYLLTZKKKTIV-KDHUBKHVSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001178902298 1386343507 /nfs/dbraw/zinc/34/35/07/1386343507.db2.gz JVTPTKFAQBAIJJ-LPHOPBHVSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178920671 1386349101 /nfs/dbraw/zinc/34/91/01/1386349101.db2.gz DMMVUIZIMICRHE-QZTJIDSGSA-N 2 0 343.531 3.121 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178921080 1386350036 /nfs/dbraw/zinc/35/00/36/1386350036.db2.gz VRJVUWDTDWCZBG-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)c1ccc2c[nH+]cn2c1 ZINC001179026395 1386381737 /nfs/dbraw/zinc/38/17/37/1386381737.db2.gz ZNVANRMDUZDSRU-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212587 1386425206 /nfs/dbraw/zinc/42/52/06/1386425206.db2.gz QEGQFNFGEYZXLK-AATRIKPKSA-N 2 0 337.552 3.483 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179388440 1386471604 /nfs/dbraw/zinc/47/16/04/1386471604.db2.gz GVOFPPPCQNNAJI-OJUCNMNVSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC1 ZINC001179393315 1386473878 /nfs/dbraw/zinc/47/38/78/1386473878.db2.gz RUZPDTNXNALOHL-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)c1ccccc1 ZINC001179421423 1386479889 /nfs/dbraw/zinc/47/98/89/1386479889.db2.gz XAHHIOZMSRBJDA-UHOSZYNNSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001320059351 1386481038 /nfs/dbraw/zinc/48/10/38/1386481038.db2.gz RSLGKKINDUDGND-IBGZPJMESA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001320067400 1386487176 /nfs/dbraw/zinc/48/71/76/1386487176.db2.gz REHAKZLAYOMZRU-SFHVURJKSA-N 2 0 339.568 3.179 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001179461124 1386487301 /nfs/dbraw/zinc/48/73/01/1386487301.db2.gz BAUNABVTHCWUIQ-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461748 1386487995 /nfs/dbraw/zinc/48/79/95/1386487995.db2.gz ZVHUTXRQLWYWAP-SFHVURJKSA-N 2 0 339.568 3.277 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461615 1386488019 /nfs/dbraw/zinc/48/80/19/1386488019.db2.gz SQSSWDCTINOYRP-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001179565880 1386516830 /nfs/dbraw/zinc/51/68/30/1386516830.db2.gz XSOXSXXPJNBYQE-SJORKVTESA-N 2 0 331.520 3.121 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001179585258 1386522900 /nfs/dbraw/zinc/52/29/00/1386522900.db2.gz FNTJANSVWNODLM-IBGZPJMESA-N 2 0 345.531 3.103 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179591224 1386526153 /nfs/dbraw/zinc/52/61/53/1386526153.db2.gz PZHBIVSNSYYDAC-PKOBYXMFSA-N 2 0 337.552 3.031 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179592771 1386526880 /nfs/dbraw/zinc/52/68/80/1386526880.db2.gz MVAUVRPTHJMPBN-WAYWQWQTSA-N 2 0 337.552 3.341 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CCn2ccnc2C(C)C)[C@H]1C ZINC001179651577 1386540180 /nfs/dbraw/zinc/54/01/80/1386540180.db2.gz JBDXDCNMIJNJKF-ROUUACIJSA-N 2 0 348.535 3.412 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001179748688 1386570870 /nfs/dbraw/zinc/57/08/70/1386570870.db2.gz FKXGUVRJGKPZNL-ICSRJNTNSA-N 2 0 345.531 3.033 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179746810 1386570907 /nfs/dbraw/zinc/57/09/07/1386570907.db2.gz YNBNCMWGWUNCJB-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccnc1 ZINC001320411694 1386602522 /nfs/dbraw/zinc/60/25/22/1386602522.db2.gz RBLUAARBTLYWLI-FQEVSTJZSA-N 2 0 338.499 3.464 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001179846623 1386605777 /nfs/dbraw/zinc/60/57/77/1386605777.db2.gz PQONLLWCHDQNPT-QINSGFPZSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC[C@H](C)F)CC1 ZINC001179965321 1386651136 /nfs/dbraw/zinc/65/11/36/1386651136.db2.gz YDMXSVAHCFPFJB-KRWDZBQOSA-N 2 0 343.531 3.121 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)[C@@H]1C ZINC001179978434 1386656770 /nfs/dbraw/zinc/65/67/70/1386656770.db2.gz ADDGAOBLMGJNAJ-HBFSDRIKSA-N 2 0 345.531 3.367 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179989257 1386659784 /nfs/dbraw/zinc/65/97/84/1386659784.db2.gz WONWLJANSAEQDD-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001179989207 1386660025 /nfs/dbraw/zinc/66/00/25/1386660025.db2.gz UQZNZZLAKCEMRA-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC ZINC001180035743 1386676143 /nfs/dbraw/zinc/67/61/43/1386676143.db2.gz QJHWZNJSLBXPTL-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065398 1386685350 /nfs/dbraw/zinc/68/53/50/1386685350.db2.gz QAMHHCPZJARZTH-MOPGFXCFSA-N 2 0 337.552 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001180121389 1386703282 /nfs/dbraw/zinc/70/32/82/1386703282.db2.gz NNMXPNNIRCGKOI-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180156837 1386716909 /nfs/dbraw/zinc/71/69/09/1386716909.db2.gz IOZRIYSFJWDQBV-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001180264803 1386749975 /nfs/dbraw/zinc/74/99/75/1386749975.db2.gz LADCSCDUFQPWKL-KRWDZBQOSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC001180264419 1386750312 /nfs/dbraw/zinc/75/03/12/1386750312.db2.gz DUEDWMABIXBFJR-AEFFLSMTSA-N 2 0 349.494 3.105 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC001180278891 1386753521 /nfs/dbraw/zinc/75/35/21/1386753521.db2.gz SIKLMCVTQZABOU-QGZVFWFLSA-N 2 0 349.494 3.249 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180353019 1386772647 /nfs/dbraw/zinc/77/26/47/1386772647.db2.gz YIDDPLAIKBCXKB-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180373042 1386777482 /nfs/dbraw/zinc/77/74/82/1386777482.db2.gz OTMQAFHWJVQBBG-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180373272 1386778001 /nfs/dbraw/zinc/77/80/01/1386778001.db2.gz ZUIXQKLOERFGRJ-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001180792549 1386875464 /nfs/dbraw/zinc/87/54/64/1386875464.db2.gz CBHBGCZBHVSJLV-QAPCUYQASA-N 2 0 330.472 3.216 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001321600196 1386938632 /nfs/dbraw/zinc/93/86/32/1386938632.db2.gz SZRXDVJUHNKJLO-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001321990747 1387025424 /nfs/dbraw/zinc/02/54/24/1387025424.db2.gz JISUYJNZSNUJJZ-BXWFABGCSA-N 2 0 347.547 3.480 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001322033739 1387034778 /nfs/dbraw/zinc/03/47/78/1387034778.db2.gz ANTSSFPKAJGHSW-PXNSSMCTSA-N 2 0 345.531 3.352 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001181868288 1387067142 /nfs/dbraw/zinc/06/71/42/1387067142.db2.gz FIJNVLXAQKNPGN-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N[C@]1(C)CCC[NH+](C)C1)c1ccccc1 ZINC001182238559 1387129596 /nfs/dbraw/zinc/12/95/96/1387129596.db2.gz XWCIQSSIOQZSLD-TZIWHRDSSA-N 2 0 345.531 3.450 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001322338956 1387163043 /nfs/dbraw/zinc/16/30/43/1387163043.db2.gz PKQVUAXEGDTLJC-AZUAARDMSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001322394246 1387178551 /nfs/dbraw/zinc/17/85/51/1387178551.db2.gz VODNDYUVYPLZOO-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1)n1ccnc1 ZINC001182767452 1387221014 /nfs/dbraw/zinc/22/10/14/1387221014.db2.gz FWPUZEWPRUPIRA-MBOZVWFJSA-N 2 0 346.519 3.099 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001182806180 1387227583 /nfs/dbraw/zinc/22/75/83/1387227583.db2.gz AIMHQDXDRVLHDQ-YFVAEKQCSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001329593048 1389172955 /nfs/dbraw/zinc/17/29/55/1389172955.db2.gz XLRGCGSHSYJLCX-UZLBHIALSA-N 2 0 341.499 3.117 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001331324662 1389702158 /nfs/dbraw/zinc/70/21/58/1389702158.db2.gz LVPJDQKYTBQFHJ-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1c(C(=O)N[C@H](C[NH2+]CC2CCC2)C(C)(C)C)ccc2c[nH+]cn21 ZINC001332827507 1390196113 /nfs/dbraw/zinc/19/61/13/1390196113.db2.gz YUSLZSWWKJOTJZ-GOSISDBHSA-N 2 0 342.487 3.177 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001698767638 1406425720 /nfs/dbraw/zinc/42/57/20/1406425720.db2.gz XPECQROCDIRZCV-MOPGFXCFSA-N 2 0 345.531 3.101 20 0 EGADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001343334540 1390708007 /nfs/dbraw/zinc/70/80/07/1390708007.db2.gz UBHRUJBYBVDNGX-SZMVWBNQSA-N 2 0 332.488 3.174 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001698824040 1406516133 /nfs/dbraw/zinc/51/61/33/1406516133.db2.gz LVVUDMIBGXNYKG-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001351798903 1391692309 /nfs/dbraw/zinc/69/23/09/1391692309.db2.gz FATZOWIFNDIWFF-GOSISDBHSA-N 2 0 329.488 3.178 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001479299233 1392208061 /nfs/dbraw/zinc/20/80/61/1392208061.db2.gz JAESRCBSYSQBRR-HQRMLTQVSA-N 2 0 343.515 3.106 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001479907143 1392474720 /nfs/dbraw/zinc/47/47/20/1392474720.db2.gz LJEKHGPDEBLNDV-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1)[NH+](CC)CC ZINC001480156436 1392603237 /nfs/dbraw/zinc/60/32/37/1392603237.db2.gz BTSYBIIVQQLHEF-SOAMZJECSA-N 2 0 345.531 3.413 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001480903964 1393009648 /nfs/dbraw/zinc/00/96/48/1393009648.db2.gz CCUAOAWDWCPZPV-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](CCC3CCCCCC3)C2)CCC1 ZINC001481095826 1393118602 /nfs/dbraw/zinc/11/86/02/1393118602.db2.gz NMZKFYMVGZWPLH-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CCCc2ccccc21 ZINC001481139142 1393130813 /nfs/dbraw/zinc/13/08/13/1393130813.db2.gz GCWXBVVCVDSIIC-WOJBJXKFSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481172062 1393141188 /nfs/dbraw/zinc/14/11/88/1393141188.db2.gz YQKHYASUPQRICT-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001698941950 1406681554 /nfs/dbraw/zinc/68/15/54/1406681554.db2.gz YTVXLJRDLKTHDG-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490764887 1394326977 /nfs/dbraw/zinc/32/69/77/1394326977.db2.gz HCKLTCFFSXOUAG-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](C(=O)NCC1C[NH+](CCCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001481648136 1394430898 /nfs/dbraw/zinc/43/08/98/1394430898.db2.gz NRHQQMYOKZXPTR-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001491119269 1394437938 /nfs/dbraw/zinc/43/79/38/1394437938.db2.gz CJVOHMKIDIWUAG-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481702217 1394461059 /nfs/dbraw/zinc/46/10/59/1394461059.db2.gz KGPZUEXNXNDAIO-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[NH+](CC)CC ZINC001482020477 1394676857 /nfs/dbraw/zinc/67/68/57/1394676857.db2.gz ICEOOWKZMCLUHL-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001482025761 1394683756 /nfs/dbraw/zinc/68/37/56/1394683756.db2.gz BAZURGPAJALSNK-VDGAXYAQSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001482035345 1394696459 /nfs/dbraw/zinc/69/64/59/1394696459.db2.gz XJKYVHYAYSFTNY-PXNSSMCTSA-N 2 0 345.531 3.026 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001482142178 1394767719 /nfs/dbraw/zinc/76/77/19/1394767719.db2.gz JUDIFELBRNVGNN-LPHOPBHVSA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CC(C)C1 ZINC001482558647 1395088840 /nfs/dbraw/zinc/08/88/40/1395088840.db2.gz CYZJIOKGQVFBIU-NLPFYKDJSA-N 2 0 345.531 3.138 20 0 EGADRP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001484562382 1395448523 /nfs/dbraw/zinc/44/85/23/1395448523.db2.gz YMTPJQWKJVNBPR-MRXNPFEDSA-N 2 0 333.520 3.340 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001484638066 1395458028 /nfs/dbraw/zinc/45/80/28/1395458028.db2.gz CHARTNXKVWOMCB-IBGZPJMESA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001484985028 1395626115 /nfs/dbraw/zinc/62/61/15/1395626115.db2.gz AWBVNGYMNLIETH-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485367667 1395844607 /nfs/dbraw/zinc/84/46/07/1395844607.db2.gz DHOWFWXXWWELGN-GOSISDBHSA-N 2 0 345.531 3.052 20 0 EGADRP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)C[NH+](C)CC(C)(C)C ZINC001698996420 1406795547 /nfs/dbraw/zinc/79/55/47/1406795547.db2.gz COBKBCXMESOTLJ-UHFFFAOYSA-N 2 0 327.557 3.181 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001485760692 1396136092 /nfs/dbraw/zinc/13/60/92/1396136092.db2.gz BIIKGBGLDOIXGM-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001699033462 1406871897 /nfs/dbraw/zinc/87/18/97/1406871897.db2.gz AOBMMNADQXCCPE-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP CN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001690023446 1404262128 /nfs/dbraw/zinc/26/21/28/1404262128.db2.gz SGQVKTXEYCIJTP-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1)CC(C)(C)C ZINC001690455310 1404583407 /nfs/dbraw/zinc/58/34/07/1404583407.db2.gz RZPQCXABNONLLK-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CCC1CC1 ZINC001690492736 1404606491 /nfs/dbraw/zinc/60/64/91/1404606491.db2.gz UJHNTZUPJCQGLZ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001690742805 1404705058 /nfs/dbraw/zinc/70/50/58/1404705058.db2.gz AQXKZEVPYUKOKU-LJQANCHMSA-N 2 0 345.531 3.236 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC001691012099 1404928026 /nfs/dbraw/zinc/92/80/26/1404928026.db2.gz SGFFXMVUVKBWEX-PXNSSMCTSA-N 2 0 345.531 3.403 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1F ZINC001691021457 1404934810 /nfs/dbraw/zinc/93/48/10/1404934810.db2.gz AWGLUOVAWWJWGP-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)CCC[NH+]1CCCC1 ZINC001691075109 1405008866 /nfs/dbraw/zinc/00/88/66/1405008866.db2.gz OHMYMQGRTOJXHA-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001691225345 1405165830 /nfs/dbraw/zinc/16/58/30/1405165830.db2.gz CIMAMBSKJJHVGB-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001698568307 1406171845 /nfs/dbraw/zinc/17/18/45/1406171845.db2.gz ZLFKJZQOMQMCFG-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(C)cc2C)CCCC1 ZINC001732234677 1428481085 /nfs/dbraw/zinc/48/10/85/1428481085.db2.gz QGFYJOSTROCHKQ-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)C1CCC1 ZINC001732310174 1428523781 /nfs/dbraw/zinc/52/37/81/1428523781.db2.gz IBOQHRGTRGTOGZ-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699754516 1413161387 /nfs/dbraw/zinc/16/13/87/1413161387.db2.gz AEWQPBJWNSTYIZ-SFFCAUCYSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@]2(C)CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001699874878 1413328468 /nfs/dbraw/zinc/32/84/68/1413328468.db2.gz QYAOJBVBTOWFMK-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001699877006 1413336110 /nfs/dbraw/zinc/33/61/10/1413336110.db2.gz OBRAKTOXNFJMJK-FQEVSTJZSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700485883 1414131847 /nfs/dbraw/zinc/13/18/47/1414131847.db2.gz BGDRYJBLNUIFGW-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC1CC(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001700525597 1414186086 /nfs/dbraw/zinc/18/60/86/1414186086.db2.gz FQWQQUZJOZIZES-SOAGJPPSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700544993 1414213438 /nfs/dbraw/zinc/21/34/38/1414213438.db2.gz DPJJZHGRNNCBJM-IAGOWNOFSA-N 2 0 339.568 3.083 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732774512 1428961999 /nfs/dbraw/zinc/96/19/99/1428961999.db2.gz GAZJNRWIBALLLR-VQIMIIECSA-N 2 0 349.494 3.198 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732774465 1428962284 /nfs/dbraw/zinc/96/22/84/1428962284.db2.gz DSZBRRUDFPUBFQ-UYAOXDASSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001733043010 1429172907 /nfs/dbraw/zinc/17/29/07/1429172907.db2.gz BRRJYQJSEMKSLP-WMZOPIPTSA-N 2 0 331.504 3.059 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707436120 1417340126 /nfs/dbraw/zinc/34/01/26/1417340126.db2.gz GSMIZPCCMFWINT-LPHOPBHVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707440346 1417344370 /nfs/dbraw/zinc/34/43/70/1417344370.db2.gz KYVYTSCLLJZWIT-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001713113682 1417677251 /nfs/dbraw/zinc/67/72/51/1417677251.db2.gz URNYEWPDAHULOD-JXFKEZNVSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713278057 1417900993 /nfs/dbraw/zinc/90/09/93/1417900993.db2.gz QJJDIZMCSANNHW-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)c1 ZINC001713293110 1417920687 /nfs/dbraw/zinc/92/06/87/1417920687.db2.gz UFCZSYUPDNGWCC-NYYWCZLTSA-N 2 0 349.906 3.131 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C2CC2)c1 ZINC001713564886 1418373258 /nfs/dbraw/zinc/37/32/58/1418373258.db2.gz OYGBZFRZPAVQCI-YLJYHZDGSA-N 2 0 345.531 3.223 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CCC)C1 ZINC001713722610 1418497181 /nfs/dbraw/zinc/49/71/81/1418497181.db2.gz QGDJICPXQVLKNS-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001713760300 1418568711 /nfs/dbraw/zinc/56/87/11/1418568711.db2.gz CHNFIXYWXNEVTP-GPJFCIFZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH+](C)CCC3CCCC3)CC2)C1 ZINC001713766177 1418579741 /nfs/dbraw/zinc/57/97/41/1418579741.db2.gz PXDIOBSUXADETD-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CCC1 ZINC001713784911 1418601735 /nfs/dbraw/zinc/60/17/35/1418601735.db2.gz WVIURIADSUWSSO-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001714012024 1418790900 /nfs/dbraw/zinc/79/09/00/1418790900.db2.gz BDMDBVYCZDLZDH-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001714092499 1418886711 /nfs/dbraw/zinc/88/67/11/1418886711.db2.gz WJFMXSAYGCOYIR-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1c(C)cccc1C ZINC001714116665 1418919882 /nfs/dbraw/zinc/91/98/82/1418919882.db2.gz UYANJIRKWZSBPZ-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)CCCCC1 ZINC001714131365 1418934688 /nfs/dbraw/zinc/93/46/88/1418934688.db2.gz HTBRDKKOZGRIBL-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001714138936 1418941722 /nfs/dbraw/zinc/94/17/22/1418941722.db2.gz ARYYXJPCMCVVLF-IEBWSBKVSA-N 2 0 343.515 3.169 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714289454 1419067905 /nfs/dbraw/zinc/06/79/05/1419067905.db2.gz KDMTVXKOTWNHBU-SJORKVTESA-N 2 0 347.547 3.481 20 0 EGADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001714307087 1419087406 /nfs/dbraw/zinc/08/74/06/1419087406.db2.gz RSOCPSHRVCROHM-UFYCRDLUSA-N 2 0 345.531 3.497 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001714536793 1419262670 /nfs/dbraw/zinc/26/26/70/1419262670.db2.gz IEBAQNDQHWQCOY-APWZRJJASA-N 2 0 331.504 3.013 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001714536795 1419263059 /nfs/dbraw/zinc/26/30/59/1419263059.db2.gz IEBAQNDQHWQCOY-LPHOPBHVSA-N 2 0 331.504 3.013 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001714674316 1419465946 /nfs/dbraw/zinc/46/59/46/1419465946.db2.gz FVYJWFLLWZSPKX-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C(=O)CCC[NH+](C)C ZINC001714743236 1419490378 /nfs/dbraw/zinc/49/03/78/1419490378.db2.gz LCXOXKQOEGNWSA-SJORKVTESA-N 2 0 345.531 3.015 20 0 EGADRP Cc1c(C(=O)N2CCC([C@H](C)[NH2+]CC(C)C)CC2)ccc2c[nH+]cn21 ZINC001714810798 1419521960 /nfs/dbraw/zinc/52/19/60/1419521960.db2.gz OULFOWDEPCATMR-HNNXBMFYSA-N 2 0 342.487 3.129 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CCCF)C1 ZINC001714861212 1419583289 /nfs/dbraw/zinc/58/32/89/1419583289.db2.gz OMFSMBYDSLWTHZ-IBGZPJMESA-N 2 0 349.494 3.034 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714913768 1419662704 /nfs/dbraw/zinc/66/27/04/1419662704.db2.gz WTLWHUSXMATUEA-GOSISDBHSA-N 2 0 345.531 3.260 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001714929190 1419681958 /nfs/dbraw/zinc/68/19/58/1419681958.db2.gz WKQMDOYWIXHXNU-WOJBJXKFSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001715033373 1419766599 /nfs/dbraw/zinc/76/65/99/1419766599.db2.gz VYOHJQDWVRZPMV-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001715127337 1419875031 /nfs/dbraw/zinc/87/50/31/1419875031.db2.gz QNUDAJZXMURZSU-WIYYLYMNSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001715225343 1419958232 /nfs/dbraw/zinc/95/82/32/1419958232.db2.gz CWPFAWWFRYGNBJ-OXQOHEQNSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001715411827 1420107959 /nfs/dbraw/zinc/10/79/59/1420107959.db2.gz IYCFVDVDKULIME-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC(C[N@H+](C)CCC2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001715482162 1420160993 /nfs/dbraw/zinc/16/09/93/1420160993.db2.gz OPXBEOIYGACOAP-UUKMXZOPSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001715519187 1420205326 /nfs/dbraw/zinc/20/53/26/1420205326.db2.gz GBHPCKQVYRPWNQ-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715734982 1420317786 /nfs/dbraw/zinc/31/77/86/1420317786.db2.gz OZVJGYWLUSQTQU-GOSISDBHSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716044324 1420507296 /nfs/dbraw/zinc/50/72/96/1420507296.db2.gz LCICULPPKPIZJK-IRXDYDNUSA-N 2 0 333.520 3.162 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001716256193 1420585481 /nfs/dbraw/zinc/58/54/81/1420585481.db2.gz SBNJWJZZCWJYMI-GOSISDBHSA-N 2 0 331.504 3.062 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001716458691 1420672174 /nfs/dbraw/zinc/67/21/74/1420672174.db2.gz SXJNPUOYPIOJGQ-SFHVURJKSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001716481980 1420699106 /nfs/dbraw/zinc/69/91/06/1420699106.db2.gz AQIUNGWPCSZUOS-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccccc1C ZINC001716635346 1420793042 /nfs/dbraw/zinc/79/30/42/1420793042.db2.gz BSVDEDPVIOWRSE-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001733277086 1429441650 /nfs/dbraw/zinc/44/16/50/1429441650.db2.gz NPDFDBBMNCEENE-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001716798668 1420931907 /nfs/dbraw/zinc/93/19/07/1420931907.db2.gz BPZFWDNLRCQLTI-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[N@H+](CC(=O)NC[C@@]1(C)CCC[NH+](CCCC2CCC2)C1)C1CCC1 ZINC001716895240 1421021968 /nfs/dbraw/zinc/02/19/68/1421021968.db2.gz GEVCAFMUGPYYOI-OAQYLSRUSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1c(C(=O)NC[C@@]2(C)CCC[N@@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001716896750 1421024669 /nfs/dbraw/zinc/02/46/69/1421024669.db2.gz ROQYTMZSROTCMQ-HXUWFJFHSA-N 2 0 342.487 3.131 20 0 EGADRP Cc1ccccc1C[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001716897990 1421026157 /nfs/dbraw/zinc/02/61/57/1421026157.db2.gz MXODIBUYRQRXAV-OAQYLSRUSA-N 2 0 345.531 3.055 20 0 EGADRP Cc1ccccc1C[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001716897989 1421026213 /nfs/dbraw/zinc/02/62/13/1421026213.db2.gz MXODIBUYRQRXAV-NRFANRHFSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001717098159 1421108863 /nfs/dbraw/zinc/10/88/63/1421108863.db2.gz WLDYRNKLCRUZDQ-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001717098156 1421109115 /nfs/dbraw/zinc/10/91/15/1421109115.db2.gz WLDYRNKLCRUZDQ-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC001717348649 1421287331 /nfs/dbraw/zinc/28/73/31/1421287331.db2.gz PEMSFVXAPHNNNF-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717370183 1421307953 /nfs/dbraw/zinc/30/79/53/1421307953.db2.gz CQMZSQWJLAIZPJ-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717377084 1421319434 /nfs/dbraw/zinc/31/94/34/1421319434.db2.gz GGMWRRIWGJDYTM-PMACEKPBSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001717377063 1421319594 /nfs/dbraw/zinc/31/95/94/1421319594.db2.gz FQFSDWWCDZICBQ-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717377087 1421319891 /nfs/dbraw/zinc/31/98/91/1421319891.db2.gz GGMWRRIWGJDYTM-WOJBJXKFSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]C(C)C)c1ccccc1 ZINC001717459099 1421388517 /nfs/dbraw/zinc/38/85/17/1421388517.db2.gz QFYCCJHSKGMGPT-GOSISDBHSA-N 2 0 333.520 3.162 20 0 EGADRP Cc1ccc(C)c(C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001717487923 1421424774 /nfs/dbraw/zinc/42/47/74/1421424774.db2.gz NETPFBSHSCXSIK-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001717496595 1421437739 /nfs/dbraw/zinc/43/77/39/1421437739.db2.gz MOFPJMCOQQKQTQ-KRWDZBQOSA-N 2 0 347.547 3.262 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001717741691 1421605232 /nfs/dbraw/zinc/60/52/32/1421605232.db2.gz VCEWAXCBCHHMDT-QGZVFWFLSA-N 2 0 347.547 3.163 20 0 EGADRP CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)c1ccc2ccccc2c1 ZINC001733375420 1429558229 /nfs/dbraw/zinc/55/82/29/1429558229.db2.gz QJZORZKVKWQFPY-LJQANCHMSA-N 2 0 339.483 3.091 20 0 EGADRP CC[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1[NH2+]C(C)C ZINC001723377186 1424377239 /nfs/dbraw/zinc/37/72/39/1424377239.db2.gz JFHSHJDAQAVZMD-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CCCCCC1 ZINC001723639497 1424504513 /nfs/dbraw/zinc/50/45/13/1424504513.db2.gz HRPTWXAJBPMVNX-LJQANCHMSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001723875187 1424594759 /nfs/dbraw/zinc/59/47/59/1424594759.db2.gz LKOSBFBOOYERBG-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724543035 1424904187 /nfs/dbraw/zinc/90/41/87/1424904187.db2.gz DUIJKAGOEFPFFD-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001724782901 1425148734 /nfs/dbraw/zinc/14/87/34/1425148734.db2.gz AJOQBYORBFLKCR-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724839069 1425187485 /nfs/dbraw/zinc/18/74/85/1425187485.db2.gz QZAOFWZQWJYSMI-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001724856433 1425230090 /nfs/dbraw/zinc/23/00/90/1425230090.db2.gz AYNLOQGIDCDBBM-LJQANCHMSA-N 2 0 345.531 3.231 20 0 EGADRP Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724969156 1425366837 /nfs/dbraw/zinc/36/68/37/1425366837.db2.gz GFCJPLCZJUSPIS-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001724979980 1425381744 /nfs/dbraw/zinc/38/17/44/1425381744.db2.gz RHPWHUQXCJBZPY-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC1CCCCCC1 ZINC001725189084 1425728055 /nfs/dbraw/zinc/72/80/55/1425728055.db2.gz IFPRIEORXCHLTM-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001725343048 1425993091 /nfs/dbraw/zinc/99/30/91/1425993091.db2.gz HYVUYNJLYIDKSP-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001725468962 1426137818 /nfs/dbraw/zinc/13/78/18/1426137818.db2.gz UFRGUJABJMHTNI-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1F ZINC001725482569 1426158570 /nfs/dbraw/zinc/15/85/70/1426158570.db2.gz PNYSNINTDCKYFM-MRXNPFEDSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001725582125 1426237271 /nfs/dbraw/zinc/23/72/71/1426237271.db2.gz CLODJJJHBYOCSS-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001725601136 1426256602 /nfs/dbraw/zinc/25/66/02/1426256602.db2.gz MYFDNEJELALLRD-JXFKEZNVSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1C/C=C/c1ccccc1 ZINC001725630419 1426298139 /nfs/dbraw/zinc/29/81/39/1426298139.db2.gz QZGOLVLCVRTKGN-ZSGQJBBISA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001725744005 1426420887 /nfs/dbraw/zinc/42/08/87/1426420887.db2.gz JPGDETYBSWERKU-KRWDZBQOSA-N 2 0 325.541 3.170 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001731354917 1427294997 /nfs/dbraw/zinc/29/49/97/1427294997.db2.gz IVSZTPAVLSJSLU-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001731381362 1427318846 /nfs/dbraw/zinc/31/88/46/1427318846.db2.gz JMXIQEJJJWNDIV-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001731696496 1427746181 /nfs/dbraw/zinc/74/61/81/1427746181.db2.gz ATZVBCBNIPQYHN-UXHICEINSA-N 2 0 345.531 3.108 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CC1CCCCC1 ZINC001731769138 1427878803 /nfs/dbraw/zinc/87/88/03/1427878803.db2.gz DISKOQKEBQEIDH-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCCCC1 ZINC001731773274 1427886941 /nfs/dbraw/zinc/88/69/41/1427886941.db2.gz VCWSWGKFNLVVEZ-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001731832969 1428044984 /nfs/dbraw/zinc/04/49/84/1428044984.db2.gz DYFPFYSCFPTXPL-PKOBYXMFSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001733710928 1429926137 /nfs/dbraw/zinc/92/61/37/1429926137.db2.gz QPMLIPARMGPZFS-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001734272805 1438003875 /nfs/dbraw/zinc/00/38/75/1438003875.db2.gz XWWUTWATUPQCMQ-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001734356660 1438073833 /nfs/dbraw/zinc/07/38/33/1438073833.db2.gz NIQAKZSRLZAQIJ-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@H]([NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001734601193 1438182847 /nfs/dbraw/zinc/18/28/47/1438182847.db2.gz BYNRNAYGCJHYLI-ACBHZAAOSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001734601593 1438183222 /nfs/dbraw/zinc/18/32/22/1438183222.db2.gz RIFLMSUVJMSJFF-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001751974572 1440129886 /nfs/dbraw/zinc/12/98/86/1440129886.db2.gz HTSBRERHJZDTPW-QFBILLFUSA-N 2 0 349.494 3.198 20 0 EGADRP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCCC1 ZINC001752009939 1440132320 /nfs/dbraw/zinc/13/23/20/1440132320.db2.gz SGYINTIWQYIREY-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccccc1 ZINC001752159012 1440148099 /nfs/dbraw/zinc/14/80/99/1440148099.db2.gz YIPQGEXTWNHFST-AZUAARDMSA-N 2 0 345.531 3.278 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001752159059 1440148296 /nfs/dbraw/zinc/14/82/96/1440148296.db2.gz YSIFVNHLRRUYJT-ICSRJNTNSA-N 2 0 345.531 3.194 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001752159340 1440148484 /nfs/dbraw/zinc/14/84/84/1440148484.db2.gz PKRXVCDHCNADIV-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001752160137 1440148665 /nfs/dbraw/zinc/14/86/65/1440148665.db2.gz YKYPWSKESYIJSR-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1CCCCCC1 ZINC001752181904 1440151315 /nfs/dbraw/zinc/15/13/15/1440151315.db2.gz OZESWXSRTVFBTJ-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccccc1C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001752307842 1440168929 /nfs/dbraw/zinc/16/89/29/1440168929.db2.gz HAJJTOMQVQJVEX-UHFFFAOYSA-N 2 0 345.531 3.185 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527670 1440193412 /nfs/dbraw/zinc/19/34/12/1440193412.db2.gz LXMRCUYHRDJDKD-RBUKOAKNSA-N 2 0 345.531 3.260 20 0 EGADRP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752527709 1440193477 /nfs/dbraw/zinc/19/34/77/1440193477.db2.gz MZMOVFPKSZIKKV-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC001752708148 1440202969 /nfs/dbraw/zinc/20/29/69/1440202969.db2.gz RMDVLKQAPIBKIR-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001752733746 1440204285 /nfs/dbraw/zinc/20/42/85/1440204285.db2.gz YZIYJHBTRNAJEJ-RRQGHBQHSA-N 2 0 349.906 3.122 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001752741384 1440204540 /nfs/dbraw/zinc/20/45/40/1440204540.db2.gz UOABPOFWYLKJFK-HDICACEKSA-N 2 0 349.563 3.457 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001752754091 1440205150 /nfs/dbraw/zinc/20/51/50/1440205150.db2.gz NGGOVXYXXIIHIV-BGYRXZFFSA-N 2 0 343.515 3.033 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC(C)C)C1 ZINC001752814308 1440217452 /nfs/dbraw/zinc/21/74/52/1440217452.db2.gz GMBYLUYQFLJMSQ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001752835197 1440227365 /nfs/dbraw/zinc/22/73/65/1440227365.db2.gz CEUJHBNNWXHKTG-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001752853360 1440234173 /nfs/dbraw/zinc/23/41/73/1440234173.db2.gz HDNOOBIFRFPPJB-LMDPOFIKSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001752880834 1440238868 /nfs/dbraw/zinc/23/88/68/1440238868.db2.gz ZHUCZJPFHIRHNF-QFBILLFUSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001752902395 1440243293 /nfs/dbraw/zinc/24/32/93/1440243293.db2.gz ALGNWUXVEKUAFJ-UYAOXDASSA-N 2 0 345.531 3.161 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001752954060 1440252432 /nfs/dbraw/zinc/25/24/32/1440252432.db2.gz OQMAKHXCRCROOI-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001752962386 1440253516 /nfs/dbraw/zinc/25/35/16/1440253516.db2.gz DJWDBONRKOCAOA-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CCc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001752976215 1440256061 /nfs/dbraw/zinc/25/60/61/1440256061.db2.gz LCGYANFUFBUWRM-VQTJNVASSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001752976259 1440256088 /nfs/dbraw/zinc/25/60/88/1440256088.db2.gz LYZJAELUWRYPBO-RBUKOAKNSA-N 2 0 345.531 3.279 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001753000623 1440264352 /nfs/dbraw/zinc/26/43/52/1440264352.db2.gz SULJRXTYEVFNNR-IEBWSBKVSA-N 2 0 331.504 3.011 20 0 EGADRP Cc1ccc(C)c(C[NH+](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001753000689 1440264408 /nfs/dbraw/zinc/26/44/08/1440264408.db2.gz UOULYWSAOVFTGA-HXUWFJFHSA-N 2 0 345.531 3.066 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001753034408 1440274041 /nfs/dbraw/zinc/27/40/41/1440274041.db2.gz HJTDSULRCONXOP-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753049408 1440278840 /nfs/dbraw/zinc/27/88/40/1440278840.db2.gz BCNUUWHWDACOSN-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753061327 1440283691 /nfs/dbraw/zinc/28/36/91/1440283691.db2.gz GMAVUIDMULZGFH-IEZWGBDMSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC1CCC(C(C)(C)C)CC1 ZINC001753071595 1440288819 /nfs/dbraw/zinc/28/88/19/1440288819.db2.gz URPMIGYFUWMZCV-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001753073902 1440290065 /nfs/dbraw/zinc/29/00/65/1440290065.db2.gz QTFOLHIFQOOPSP-QGZVFWFLSA-N 2 0 331.504 3.015 20 0 EGADRP CC(C)[C@H](C(=O)NCC[N@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001753074136 1440290180 /nfs/dbraw/zinc/29/01/80/1440290180.db2.gz AHEKELQGBSEYBZ-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001753105857 1440305986 /nfs/dbraw/zinc/30/59/86/1440305986.db2.gz IVIRKOAPULDDGI-IEBWSBKVSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)cs1 ZINC001753120720 1440313607 /nfs/dbraw/zinc/31/36/07/1440313607.db2.gz YPIVWVAOLJPMDU-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001753135021 1440318392 /nfs/dbraw/zinc/31/83/92/1440318392.db2.gz HAWQRPWSKZAEDE-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001753294278 1440351680 /nfs/dbraw/zinc/35/16/80/1440351680.db2.gz JGZUOCQNIFIDQW-YLJYHZDGSA-N 2 0 345.531 3.307 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001753326690 1440366987 /nfs/dbraw/zinc/36/69/87/1440366987.db2.gz IJGSHYGKDJOYPI-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001753331439 1440369830 /nfs/dbraw/zinc/36/98/30/1440369830.db2.gz UDKBZKQNXGSCCO-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001753366008 1440385189 /nfs/dbraw/zinc/38/51/89/1440385189.db2.gz OUFPXNMCGQAKKP-INIZCTEOSA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001753365988 1440385299 /nfs/dbraw/zinc/38/52/99/1440385299.db2.gz UKKHTQTWLGHKRB-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001753418291 1440394729 /nfs/dbraw/zinc/39/47/29/1440394729.db2.gz YCGCURVZUPUPNH-KRWDZBQOSA-N 2 0 343.515 3.015 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753428907 1440397888 /nfs/dbraw/zinc/39/78/88/1440397888.db2.gz FTRPXMNXMXHCNL-CEXWTWQISA-N 2 0 349.494 3.054 20 0 EGADRP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753461095 1440410608 /nfs/dbraw/zinc/41/06/08/1440410608.db2.gz DDRPWVCCOMMTCG-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+]1CCC(C(=O)NC2(C[NH2+]CCC3CCCCC3)CCCC2)CC1 ZINC001753507657 1440424969 /nfs/dbraw/zinc/42/49/69/1440424969.db2.gz FWGDAUIYOBOCCT-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001753518975 1440428055 /nfs/dbraw/zinc/42/80/55/1440428055.db2.gz UKMPOAWGMZLAGF-TZIWHRDSSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1c(C(=O)N[C@]2(C[NH2+]C(C)C)CCCC[C@@H]2C)ccc2c[nH+]cn21 ZINC001753534025 1440431854 /nfs/dbraw/zinc/43/18/54/1440431854.db2.gz OYGKOROWYKUFIS-YWZLYKJASA-N 2 0 342.487 3.319 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]1(C[NH2+]CC2CCCC2)CCCC[C@@H]1C ZINC001753534907 1440432196 /nfs/dbraw/zinc/43/21/96/1440432196.db2.gz ABYARSJFYCWBJJ-PXNSSMCTSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]1CCCC[C@@]1(C[NH2+]CCCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001753535743 1440432525 /nfs/dbraw/zinc/43/25/25/1440432525.db2.gz LRYBXCGDZFHRSN-PXNSSMCTSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2)CC1 ZINC001753587187 1440441659 /nfs/dbraw/zinc/44/16/59/1440441659.db2.gz QFKHEZVRURCWIQ-MXVIHJGJSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001753589954 1440442559 /nfs/dbraw/zinc/44/25/59/1440442559.db2.gz UPPKSWNJFDCURD-UHFFFAOYSA-N 2 0 345.531 3.313 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001753592419 1440443216 /nfs/dbraw/zinc/44/32/16/1440443216.db2.gz MWKYLHRPFZXTRP-FQEVSTJZSA-N 2 0 345.531 3.311 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001753598801 1440445738 /nfs/dbraw/zinc/44/57/38/1440445738.db2.gz SIBSOKICBHILEG-SNAWJCMRSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753602007 1440446631 /nfs/dbraw/zinc/44/66/31/1440446631.db2.gz YDASFLYFVVBJGP-MGBKSAOESA-N 2 0 335.536 3.188 20 0 EGADRP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001753602922 1440446972 /nfs/dbraw/zinc/44/69/72/1440446972.db2.gz HBMLUEOWYQIRAQ-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CC3CCC(C)CC3)C2)CC1 ZINC001753676625 1440463462 /nfs/dbraw/zinc/46/34/62/1440463462.db2.gz ACKLLZBKQCCQCY-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753725368 1440474352 /nfs/dbraw/zinc/47/43/52/1440474352.db2.gz CSYVNEMGIGQINS-IRXDYDNUSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753776122 1440486488 /nfs/dbraw/zinc/48/64/88/1440486488.db2.gz AMOVZKOVWWUJFV-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001753801205 1440490872 /nfs/dbraw/zinc/49/08/72/1440490872.db2.gz KRTRLDCOBAFJAB-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)cc1C ZINC001753831359 1440499774 /nfs/dbraw/zinc/49/97/74/1440499774.db2.gz RWVJXIPDZPZCFV-LJQANCHMSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001753835274 1440500757 /nfs/dbraw/zinc/50/07/57/1440500757.db2.gz QSVHVDWBRUXVGD-IBGZPJMESA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753860870 1440511207 /nfs/dbraw/zinc/51/12/07/1440511207.db2.gz MUPYJAPZSKOAIV-BQFCYCMXSA-N 2 0 349.494 3.007 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753866333 1440514427 /nfs/dbraw/zinc/51/44/27/1440514427.db2.gz DVMKYZABWQFNGT-FQEVSTJZSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869186 1440516485 /nfs/dbraw/zinc/51/64/85/1440516485.db2.gz KJHOWLXPFPYCEZ-KRWDZBQOSA-N 2 0 349.494 3.153 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001753877627 1440519909 /nfs/dbraw/zinc/51/99/09/1440519909.db2.gz YMIKFCADRKXRAQ-OAHLLOKOSA-N 2 0 339.911 3.133 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001753878093 1440519928 /nfs/dbraw/zinc/51/99/28/1440519928.db2.gz NNSTYNVILJLMHR-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753879033 1440520195 /nfs/dbraw/zinc/52/01/95/1440520195.db2.gz ZQMKWDVHFPHUMM-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cc(C)c(C[NH2+]CC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001753970312 1440526952 /nfs/dbraw/zinc/52/69/52/1440526952.db2.gz ATFINYRANASDJW-SFHVURJKSA-N 2 0 345.531 3.081 20 0 EGADRP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001754048925 1440535572 /nfs/dbraw/zinc/53/55/72/1440535572.db2.gz BELLYSRIGYTLEH-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001754228638 1440553632 /nfs/dbraw/zinc/55/36/32/1440553632.db2.gz MGYWLHSPUPCTLD-XLIONFOSSA-N 2 0 347.547 3.378 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC001754231875 1440554173 /nfs/dbraw/zinc/55/41/73/1440554173.db2.gz FLADSAIEXCRWMS-QGZVFWFLSA-N 2 0 345.531 3.242 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001754278229 1440562679 /nfs/dbraw/zinc/56/26/79/1440562679.db2.gz QLWFSNPUEHREME-IRXDYDNUSA-N 2 0 331.504 3.025 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001754285653 1440564164 /nfs/dbraw/zinc/56/41/64/1440564164.db2.gz GVAJRGRTPAMPTJ-ICSRJNTNSA-N 2 0 345.531 3.161 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754374062 1440592807 /nfs/dbraw/zinc/59/28/07/1440592807.db2.gz VQSKFPNPFLCZBD-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)C[N@H+](C)C2CCC2)C2CC2)c1 ZINC001754443449 1440599557 /nfs/dbraw/zinc/59/95/57/1440599557.db2.gz XYEFGQVIVLAZHC-JXFKEZNVSA-N 2 0 343.515 3.025 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC ZINC001754466558 1440604348 /nfs/dbraw/zinc/60/43/48/1440604348.db2.gz GEJOWXHKHWGPJE-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001754490464 1440610199 /nfs/dbraw/zinc/61/01/99/1440610199.db2.gz QEDMUGJELFIDRQ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754502111 1440614827 /nfs/dbraw/zinc/61/48/27/1440614827.db2.gz OUVQSHKFCYESLE-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H](C)c3cccc(C)c3)CC2)CC[N@@H+]1C ZINC001754514510 1440618202 /nfs/dbraw/zinc/61/82/02/1440618202.db2.gz CIPUJBKUEVOFAR-YTQUADARSA-N 2 0 343.515 3.025 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001754536471 1440624706 /nfs/dbraw/zinc/62/47/06/1440624706.db2.gz VCKWEMDDDQLSSM-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001754538605 1440625370 /nfs/dbraw/zinc/62/53/70/1440625370.db2.gz MYURBCBSAMUVLO-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001754540245 1440625909 /nfs/dbraw/zinc/62/59/09/1440625909.db2.gz XPQFZNTXKLYRIN-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001754546448 1440627824 /nfs/dbraw/zinc/62/78/24/1440627824.db2.gz LRTUNBBSLRKXAU-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001754557700 1440632400 /nfs/dbraw/zinc/63/24/00/1440632400.db2.gz LIYFJQRTDLDIJI-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001754558342 1440632780 /nfs/dbraw/zinc/63/27/80/1440632780.db2.gz QIQXSMFINNMNNA-HXUWFJFHSA-N 2 0 337.552 3.079 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001754601303 1440642623 /nfs/dbraw/zinc/64/26/23/1440642623.db2.gz NVAQTDNHELKNJV-QFBILLFUSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001754604240 1440643053 /nfs/dbraw/zinc/64/30/53/1440643053.db2.gz VBQWODOASLKUNN-MJGOQNOKSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001754629382 1440647332 /nfs/dbraw/zinc/64/73/32/1440647332.db2.gz AUMHJIUQUKELPB-KRWDZBQOSA-N 2 0 331.504 3.059 20 0 EGADRP CC/C=C/CC[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001754630289 1440647636 /nfs/dbraw/zinc/64/76/36/1440647636.db2.gz WQFLDFZMCMMXSN-SNAWJCMRSA-N 2 0 335.536 3.189 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001754662134 1440655264 /nfs/dbraw/zinc/65/52/64/1440655264.db2.gz RJXMOFVWNNDSCG-HXUWFJFHSA-N 2 0 337.552 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001754697041 1440667286 /nfs/dbraw/zinc/66/72/86/1440667286.db2.gz JNMJTMKGCPSDIO-CTNGQTDRSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001754707074 1440669338 /nfs/dbraw/zinc/66/93/38/1440669338.db2.gz JPJKNSGVXJPAFO-ICSRJNTNSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001754727849 1440677140 /nfs/dbraw/zinc/67/71/40/1440677140.db2.gz OOFQMDAJZZOCEL-LJQWKTEUSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@]2(C)CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001754730931 1440679193 /nfs/dbraw/zinc/67/91/93/1440679193.db2.gz ZQEPAHCWOXBVPK-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@]2(C)CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001754732239 1440680042 /nfs/dbraw/zinc/68/00/42/1440680042.db2.gz QIOOJGTXHPYHKY-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001754782451 1440686665 /nfs/dbraw/zinc/68/66/65/1440686665.db2.gz BPZOTWUFOLRSSW-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001754783146 1440686810 /nfs/dbraw/zinc/68/68/10/1440686810.db2.gz JCYHMCZOFKZVDF-UFYCRDLUSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]([NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001754942524 1440712000 /nfs/dbraw/zinc/71/20/00/1440712000.db2.gz JYJWZYWQIUHUGX-AZUAARDMSA-N 2 0 343.515 3.062 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001754980372 1440721210 /nfs/dbraw/zinc/72/12/10/1440721210.db2.gz AAPVQOQYWZONLH-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755034205 1440733245 /nfs/dbraw/zinc/73/32/45/1440733245.db2.gz NHAKEDNWWASEIK-LJQANCHMSA-N 2 0 337.552 3.413 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CCCC(C)(C)C ZINC001755047068 1440741803 /nfs/dbraw/zinc/74/18/03/1440741803.db2.gz DFNMLFTYBPRFGX-QZTJIDSGSA-N 2 0 339.568 3.466 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001755079314 1440750275 /nfs/dbraw/zinc/75/02/75/1440750275.db2.gz HYALWWBPFAVMBM-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001755131903 1440757250 /nfs/dbraw/zinc/75/72/50/1440757250.db2.gz VZZPRDDFCCKEMS-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142933 1440761861 /nfs/dbraw/zinc/76/18/61/1440761861.db2.gz FELDMLYQCAEVHM-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c(C)c1 ZINC001755165080 1440766637 /nfs/dbraw/zinc/76/66/37/1440766637.db2.gz DXRJLPZTCLZSAX-QUCCMNQESA-N 2 0 345.531 3.113 20 0 EGADRP C[C@H](NC(=O)c1ccccc1CC[NH+](C)C)[C@H](C)[NH2+]CC1CCCC1 ZINC001755245846 1440790482 /nfs/dbraw/zinc/79/04/82/1440790482.db2.gz HPZBTFRSJRGGEL-IRXDYDNUSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CCC1CCCC1 ZINC001755262842 1440795046 /nfs/dbraw/zinc/79/50/46/1440795046.db2.gz NHGYENYFVYYGKS-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755286398 1440802228 /nfs/dbraw/zinc/80/22/28/1440802228.db2.gz UNWMNZWUEALSLO-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001755300525 1440808227 /nfs/dbraw/zinc/80/82/27/1440808227.db2.gz RQAQDRHCLRYOOE-FXAWDEMLSA-N 2 0 345.531 3.058 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(F)cc1 ZINC001755319874 1440817969 /nfs/dbraw/zinc/81/79/69/1440817969.db2.gz LCPZYHBLACSUNF-LPHOPBHVSA-N 2 0 349.494 3.025 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001755327075 1440822199 /nfs/dbraw/zinc/82/21/99/1440822199.db2.gz DQUORGYYOKPHNW-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001755328514 1440823136 /nfs/dbraw/zinc/82/31/36/1440823136.db2.gz QQZNOWOPCRAZCA-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001755351003 1440827794 /nfs/dbraw/zinc/82/77/94/1440827794.db2.gz PYHUVLMDVOVXJO-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CCCC[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001755359350 1440831099 /nfs/dbraw/zinc/83/10/99/1440831099.db2.gz AGWSRRUTLWRVPP-IBGZPJMESA-N 2 0 335.536 3.093 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001755452516 1440854197 /nfs/dbraw/zinc/85/41/97/1440854197.db2.gz JRTQMIWYELMUEW-OTWHNJEPSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001755530093 1440866866 /nfs/dbraw/zinc/86/68/66/1440866866.db2.gz RYPVFQGUPMETTQ-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC([N@H+](C)CCC(C)C)CC1)[NH+](CC)CC ZINC001755533115 1440868289 /nfs/dbraw/zinc/86/82/89/1440868289.db2.gz JPLDJVDQLZRLAQ-SFHVURJKSA-N 2 0 325.541 3.076 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001755569637 1440876669 /nfs/dbraw/zinc/87/66/69/1440876669.db2.gz MQYAOADYBFEQIT-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCC1=CCCCC1 ZINC001755603837 1440884771 /nfs/dbraw/zinc/88/47/71/1440884771.db2.gz JMNIYIGHVXRLJU-KRWDZBQOSA-N 2 0 337.552 3.291 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CC/C=C/c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001755658789 1440892358 /nfs/dbraw/zinc/89/23/58/1440892358.db2.gz LRLFDYQUJXRQOR-HSBQTJJHSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001755693820 1440897394 /nfs/dbraw/zinc/89/73/94/1440897394.db2.gz RSNWTJTUZSTOIE-FUHWJXTLSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001755699517 1440899112 /nfs/dbraw/zinc/89/91/12/1440899112.db2.gz BYWJXQMBVCBBFU-NLWGTHIKSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001755720349 1440906998 /nfs/dbraw/zinc/90/69/98/1440906998.db2.gz DUODFSIRXRJLMB-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001755735956 1440911017 /nfs/dbraw/zinc/91/10/17/1440911017.db2.gz PLEHFHMPFKDWEH-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001755743882 1440912149 /nfs/dbraw/zinc/91/21/49/1440912149.db2.gz OURFPNVOQXLSLF-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001755749611 1440913082 /nfs/dbraw/zinc/91/30/82/1440913082.db2.gz LPXUNBCXDCWTRP-RBUKOAKNSA-N 2 0 345.531 3.018 20 0 EGADRP CCCCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001755843310 1440932353 /nfs/dbraw/zinc/93/23/53/1440932353.db2.gz CGVMURGZVAPZIX-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP COc1cc2cc[nH+]c(N(C)CC3CC[NH+](C)CC3)c2cc1OC ZINC000663543335 721934464 /nfs/dbraw/zinc/93/44/64/721934464.db2.gz VSKDEYMWQXMNRP-UHFFFAOYSA-N 2 0 329.444 3.030 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531040 168368454 /nfs/dbraw/zinc/36/84/54/168368454.db2.gz SDYKAFBJIQXQGT-GIVPXCGWSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000368935526 168382225 /nfs/dbraw/zinc/38/22/25/168382225.db2.gz ZXDZNMXILNETAV-FUHIMQAGSA-N 2 0 349.950 3.401 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187967884 530053635 /nfs/dbraw/zinc/05/36/35/530053635.db2.gz TWCIINJSQODBBT-LEWJYISDSA-N 2 0 329.532 3.114 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187967861 530053749 /nfs/dbraw/zinc/05/37/49/530053749.db2.gz TWCIINJSQODBBT-SFTDATJTSA-N 2 0 329.532 3.114 20 0 EGADRP Cc1cncc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000189917519 237398987 /nfs/dbraw/zinc/39/89/87/237398987.db2.gz LHIVMFIYUSRHOG-HDICACEKSA-N 2 0 331.504 3.101 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193912791 240357969 /nfs/dbraw/zinc/35/79/69/240357969.db2.gz KFWSMPIYPZLZRY-VQTJNVASSA-N 2 0 348.556 3.277 20 0 EGADRP [NH3+]Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000238065301 201151105 /nfs/dbraw/zinc/15/11/05/201151105.db2.gz RTASGFJICOHYBG-SEJPIABJSA-N 2 0 349.478 3.071 20 0 EGADRP CCn1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272329230 201250106 /nfs/dbraw/zinc/25/01/06/201250106.db2.gz MRQFGJBYVSDQNA-ZIFCJYIRSA-N 2 0 326.488 3.464 20 0 EGADRP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924634 201273921 /nfs/dbraw/zinc/27/39/21/201273921.db2.gz PPWITBKFPGHSBP-MJGOQNOKSA-N 2 0 327.516 3.113 20 0 EGADRP c1cn(-c2ccccc2)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000191547517 239179854 /nfs/dbraw/zinc/17/98/54/239179854.db2.gz BPSPKXWYRFQHDL-UHFFFAOYSA-N 2 0 347.466 3.274 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N(C)Cc1ccccc1 ZINC000298385501 201353338 /nfs/dbraw/zinc/35/33/38/201353338.db2.gz LDORAKLLMIOERF-SFHVURJKSA-N 2 0 338.499 3.161 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000236865039 242388901 /nfs/dbraw/zinc/38/89/01/242388901.db2.gz UEOVNYNOCQHVPL-QFBILLFUSA-N 2 0 329.488 3.395 20 0 EGADRP CC(C)C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+](C)C ZINC000073621037 203269916 /nfs/dbraw/zinc/26/99/16/203269916.db2.gz OEUUWAPZHPEJGF-HNNXBMFYSA-N 2 0 345.487 3.201 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000103143026 204063455 /nfs/dbraw/zinc/06/34/55/204063455.db2.gz YEHREYRVLQXUPI-UHFFFAOYSA-N 2 0 349.482 3.073 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)cc1 ZINC000236918889 204111526 /nfs/dbraw/zinc/11/15/26/204111526.db2.gz NIEBVJREDZXIGA-OAQYLSRUSA-N 2 0 339.483 3.019 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000263261076 245374166 /nfs/dbraw/zinc/37/41/66/245374166.db2.gz MKNGJKAPSFMMOJ-UZLBHIALSA-N 2 0 339.483 3.091 20 0 EGADRP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c(F)cccc2Cl)ncn1 ZINC000109069991 204275981 /nfs/dbraw/zinc/27/59/81/204275981.db2.gz JFZXRJFRJBIBDI-LBPRGKRZSA-N 2 0 349.841 3.069 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1F ZINC000128337515 205143450 /nfs/dbraw/zinc/14/34/50/205143450.db2.gz UNGLTZHVQMZKDK-HNNXBMFYSA-N 2 0 339.524 3.226 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000343752598 284370416 /nfs/dbraw/zinc/37/04/16/284370416.db2.gz IHNCRKXGIWDASC-SFHVURJKSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)CCC2 ZINC000132860093 205344672 /nfs/dbraw/zinc/34/46/72/205344672.db2.gz BYQKNNKFKLRBTD-DLBZAZTESA-N 2 0 328.500 3.327 20 0 EGADRP CCN(CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CC1 ZINC000155815709 206036589 /nfs/dbraw/zinc/03/65/89/206036589.db2.gz ZJMAJZQYFCKXPK-UHFFFAOYSA-N 2 0 349.906 3.019 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000157517571 206140996 /nfs/dbraw/zinc/14/09/96/206140996.db2.gz LBWJWWIXEYAAHB-SFHVURJKSA-N 2 0 326.488 3.437 20 0 EGADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159160131 206227896 /nfs/dbraw/zinc/22/78/96/206227896.db2.gz RBTNPNAXWFPKOP-OAHLLOKOSA-N 2 0 330.501 3.054 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000266460031 248311780 /nfs/dbraw/zinc/31/17/80/248311780.db2.gz ZIEZDFCMGYYOSN-IBGZPJMESA-N 2 0 343.515 3.086 20 0 EGADRP COc1cccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000177269992 207316097 /nfs/dbraw/zinc/31/60/97/207316097.db2.gz JTWOXIPCZCPWCB-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000177373674 207327724 /nfs/dbraw/zinc/32/77/24/207327724.db2.gz OFZPKLUJIFYFLJ-UHFFFAOYSA-N 2 0 343.437 3.163 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000268713982 252164460 /nfs/dbraw/zinc/16/44/60/252164460.db2.gz FNSJAIIYXRFTIF-INIZCTEOSA-N 2 0 332.492 3.353 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000268746917 252197451 /nfs/dbraw/zinc/19/74/51/252197451.db2.gz AYHILSFLDDGFRJ-YZVOILCLSA-N 2 0 344.503 3.350 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCOCc2ccccc2)[C@H](C)C1 ZINC000268750420 252202252 /nfs/dbraw/zinc/20/22/52/252202252.db2.gz UVHSBDJHPDMANU-TZIWHRDSSA-N 2 0 348.531 3.320 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000268753797 252204324 /nfs/dbraw/zinc/20/43/24/252204324.db2.gz WEFZXPUBJAHGEW-GOSISDBHSA-N 2 0 331.504 3.050 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268820829 252270775 /nfs/dbraw/zinc/27/07/75/252270775.db2.gz NZOAVAPYHPYACC-NRFANRHFSA-N 2 0 345.531 3.080 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000247016112 285338551 /nfs/dbraw/zinc/33/85/51/285338551.db2.gz MPICUUQHTRFYCR-IKGGRYGDSA-N 2 0 349.494 3.043 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000187956064 533425670 /nfs/dbraw/zinc/42/56/70/533425670.db2.gz HHRMGJGVAUUZAR-JKSUJKDBSA-N 2 0 331.529 3.435 20 0 EGADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298504677 132392859 /nfs/dbraw/zinc/39/28/59/132392859.db2.gz QOSAFNYAKOBBRF-INIZCTEOSA-N 2 0 325.456 3.367 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4ccc(Cl)cc43)C2)CC1 ZINC000677804994 549334106 /nfs/dbraw/zinc/33/41/06/549334106.db2.gz JIDOLCVUFZPHDI-XLIONFOSSA-N 2 0 347.934 3.476 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237539880 141007264 /nfs/dbraw/zinc/00/72/64/141007264.db2.gz ILENKOHPWXBYAH-HKUYNNGSSA-N 2 0 331.504 3.065 20 0 EGADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000246985569 141047890 /nfs/dbraw/zinc/04/78/90/141047890.db2.gz JZNDJAWVIFRHQZ-LLGFUMIMSA-N 2 0 339.483 3.135 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000338100445 141094292 /nfs/dbraw/zinc/09/42/92/141094292.db2.gz NNWOXSGVTCHCJG-UXHICEINSA-N 2 0 343.515 3.275 20 0 EGADRP Brc1cnc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000339497484 141123047 /nfs/dbraw/zinc/12/30/47/141123047.db2.gz KBXPWURMGLFBEA-UHFFFAOYSA-N 2 0 332.311 3.261 20 0 EGADRP CC(C)C[C@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000341175369 141131425 /nfs/dbraw/zinc/13/14/25/141131425.db2.gz QQGDMQSKIVGZNN-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[NH+](CC)CC ZINC000344463153 141157551 /nfs/dbraw/zinc/15/75/51/141157551.db2.gz MULFJRNCXWFZOM-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP COc1ccc(F)cc1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC000359654554 141398684 /nfs/dbraw/zinc/39/86/84/141398684.db2.gz BCZJLYQAPVJEOL-UHFFFAOYSA-N 2 0 328.431 3.372 20 0 EGADRP CCC(CC)(CNC(=O)C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000168761086 143994582 /nfs/dbraw/zinc/99/45/82/143994582.db2.gz DGEYDYAAWANRCI-AEFFLSMTSA-N 2 0 331.504 3.154 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CCN1C ZINC000186847966 144144703 /nfs/dbraw/zinc/14/47/03/144144703.db2.gz OAEIKHZEGRWVLT-RBSFLKMASA-N 2 0 341.421 3.356 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[N@@H+]1C ZINC000344686483 144209812 /nfs/dbraw/zinc/20/98/12/144209812.db2.gz SEIKGKXKKLBJPU-VQIMIIECSA-N 2 0 325.456 3.233 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000344812727 144226707 /nfs/dbraw/zinc/22/67/07/144226707.db2.gz XCXAYCVZCCVANX-CALCHBBNSA-N 2 0 331.504 3.017 20 0 EGADRP C[C@H](CCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000351495399 144269403 /nfs/dbraw/zinc/26/94/03/144269403.db2.gz TWPUCQDHHRTAFF-AKHDSKFASA-N 2 0 345.531 3.275 20 0 EGADRP CN(C[C@@H](O)C[N@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522546 144274113 /nfs/dbraw/zinc/27/41/13/144274113.db2.gz LTPWYMPOKNICFL-HXUWFJFHSA-N 2 0 334.479 3.068 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000361710671 144352520 /nfs/dbraw/zinc/35/25/20/144352520.db2.gz CBLIGAUNMMNYLM-UHFFFAOYSA-N 2 0 326.488 3.485 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363925556 144376965 /nfs/dbraw/zinc/37/69/65/144376965.db2.gz UGLFORZXBBHECO-KBRIMQKVSA-N 2 0 335.879 3.274 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000237220740 286313860 /nfs/dbraw/zinc/31/38/60/286313860.db2.gz MNRSWLXVQCAYCV-SJORKVTESA-N 2 0 334.504 3.489 20 0 EGADRP CSc1ccc([C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000341549113 155348030 /nfs/dbraw/zinc/34/80/30/155348030.db2.gz DNCNYVCHYVODCS-RVKKMQEKSA-N 2 0 349.544 3.000 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2COC)[C@H](C)C1 ZINC000122048814 152387525 /nfs/dbraw/zinc/38/75/25/152387525.db2.gz JCQXYUSZCBJAPZ-XLIONFOSSA-N 2 0 334.504 3.060 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000341566748 155360777 /nfs/dbraw/zinc/36/07/77/155360777.db2.gz PJCQHWXPLAZBIR-DNVCBOLYSA-N 2 0 336.439 3.064 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1OC ZINC000194262056 153327690 /nfs/dbraw/zinc/32/76/90/153327690.db2.gz QNHUPUVRLQHGCA-MOPGFXCFSA-N 2 0 333.520 3.008 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C12CCCC2 ZINC000344075989 286385640 /nfs/dbraw/zinc/38/56/40/286385640.db2.gz XXYLMHBOJIPAHI-CADBVGFASA-N 2 0 338.536 3.203 20 0 EGADRP C[C@H]1C[C@H](C[NH2+]CC2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000415113919 309121246 /nfs/dbraw/zinc/12/12/46/309121246.db2.gz SYBPHYRHBMJVRC-UONOGXRCSA-N 2 0 337.305 3.458 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000305145565 154087023 /nfs/dbraw/zinc/08/70/23/154087023.db2.gz RQPGDAPRHVIITR-RDJZCZTQSA-N 2 0 338.492 3.189 20 0 EGADRP C[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309932308 154139786 /nfs/dbraw/zinc/13/97/86/154139786.db2.gz WSVLORTVMRWJER-GOEBONIOSA-N 2 0 330.394 3.066 20 0 EGADRP COC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000336667932 154209769 /nfs/dbraw/zinc/20/97/69/154209769.db2.gz ACXCCXAHNFLXOE-NMBAIYOOSA-N 2 0 328.500 3.444 20 0 EGADRP COCC1(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336731198 154212452 /nfs/dbraw/zinc/21/24/52/154212452.db2.gz YOSGUSPKAIUYKF-UXHICEINSA-N 2 0 328.500 3.257 20 0 EGADRP CCN(CCO)CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000337297085 154267237 /nfs/dbraw/zinc/26/72/37/154267237.db2.gz OONPTGYISAAILH-UHFFFAOYSA-N 2 0 348.437 3.001 20 0 EGADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000337347631 154297628 /nfs/dbraw/zinc/29/76/28/154297628.db2.gz XTOBJOINLBPOEB-KZNAEPCWSA-N 2 0 334.504 3.199 20 0 EGADRP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[N@@H+]1C ZINC000346803574 156140349 /nfs/dbraw/zinc/14/03/49/156140349.db2.gz FZWOGWWEHQCTNE-KXEVLKFVSA-N 2 0 327.516 3.254 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@H]21 ZINC000346821621 156152853 /nfs/dbraw/zinc/15/28/53/156152853.db2.gz IZLYCRMUTKPLFS-YVWKXTFCSA-N 2 0 325.431 3.447 20 0 EGADRP CO[C@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)[C@H](C[NH3+])C1 ZINC000346830133 156155162 /nfs/dbraw/zinc/15/51/62/156155162.db2.gz JXBLVTTUAYCKRW-HOTGVXAUSA-N 2 0 334.460 3.492 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346849014 156162461 /nfs/dbraw/zinc/16/24/61/156162461.db2.gz GFHOXCSVAYFJQC-BZSNNMDCSA-N 2 0 332.488 3.433 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@H]21 ZINC000346851305 156165287 /nfs/dbraw/zinc/16/52/87/156165287.db2.gz VUGLJNQSPQBZOF-IIDMSEBBSA-N 2 0 333.907 3.499 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000348891611 156277454 /nfs/dbraw/zinc/27/74/54/156277454.db2.gz HSWWFJVYOKEBNY-MOPGFXCFSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000349147935 156367570 /nfs/dbraw/zinc/36/75/70/156367570.db2.gz ZYOHPBKCFCWCQO-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[NH+]1CCC(C)CC1 ZINC000354067988 165958620 /nfs/dbraw/zinc/95/86/20/165958620.db2.gz JGULZMDOOIJIBD-QRBPQYNOSA-N 2 0 349.563 3.013 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(C)ccc1OC ZINC000093405313 162007555 /nfs/dbraw/zinc/00/75/55/162007555.db2.gz LPRCJVCKUSVISO-HXUWFJFHSA-N 2 0 347.547 3.318 20 0 EGADRP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000112708758 162185988 /nfs/dbraw/zinc/18/59/88/162185988.db2.gz DIULSWNOHNTWCS-SFHVURJKSA-N 2 0 345.531 3.313 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)CC(C)C ZINC000112914950 162197633 /nfs/dbraw/zinc/19/76/33/162197633.db2.gz AGFOBXFNEPPGBF-IBGZPJMESA-N 2 0 333.520 3.235 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000125645301 162282097 /nfs/dbraw/zinc/28/20/97/162282097.db2.gz VZLXVSANRFIOFG-DYXWJJEUSA-N 2 0 344.547 3.004 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](COC)C2CC2)CC1 ZINC000127299563 162328816 /nfs/dbraw/zinc/32/88/16/162328816.db2.gz XUTYPZGBRFTHEG-BEFAXECRSA-N 2 0 349.494 3.043 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404766 163001772 /nfs/dbraw/zinc/00/17/72/163001772.db2.gz QRMJVIVPLJKPLN-ZBRFXRBCSA-N 2 0 335.536 3.017 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@@H]5OCC[C@H]54)[C@H]3C2)cc1 ZINC000248411332 163001777 /nfs/dbraw/zinc/00/17/77/163001777.db2.gz ICQYBUFWEZXHNB-BPIQYHPVSA-N 2 0 340.511 3.444 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(F)c1F ZINC000248440383 163005506 /nfs/dbraw/zinc/00/55/06/163005506.db2.gz JKBFUFBUMZIDAX-WMLDXEAASA-N 2 0 346.421 3.382 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000248832841 163037920 /nfs/dbraw/zinc/03/79/20/163037920.db2.gz FTEMRRXPYBOORZ-MTQWCTHYSA-N 2 0 328.500 3.302 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000249116875 163056592 /nfs/dbraw/zinc/05/65/92/163056592.db2.gz SKFMVNCUALOYIL-IYWMVGAKSA-N 2 0 326.484 3.056 20 0 EGADRP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)CCC[NH+]1CCCC1 ZINC000337269825 163188690 /nfs/dbraw/zinc/18/86/90/163188690.db2.gz MHCIMXXIZPOPLV-ZWKOTPCHSA-N 2 0 343.515 3.161 20 0 EGADRP CC(C)CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000338777443 163346313 /nfs/dbraw/zinc/34/63/13/163346313.db2.gz ZZZUDMGAFNNXLE-NRFANRHFSA-N 2 0 344.547 3.398 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000338795286 163349932 /nfs/dbraw/zinc/34/99/32/163349932.db2.gz SOOYYKHQKCESAA-BCDXTJNWSA-N 2 0 331.504 3.229 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)cc2)CC1 ZINC000342737643 163953713 /nfs/dbraw/zinc/95/37/13/163953713.db2.gz NJUVALYIVZJASR-LPHOPBHVSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000343775028 164031747 /nfs/dbraw/zinc/03/17/47/164031747.db2.gz TZGYFJKHVOGKGD-GJNTUIEKSA-N 2 0 343.515 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000354807569 166036896 /nfs/dbraw/zinc/03/68/96/166036896.db2.gz DSXNFDKSOFBJSK-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)nnn3C)c1 ZINC000343878696 164055846 /nfs/dbraw/zinc/05/58/46/164055846.db2.gz WPGGKXNVPWHFPA-UHFFFAOYSA-N 2 0 337.471 3.098 20 0 EGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343980347 164076294 /nfs/dbraw/zinc/07/62/94/164076294.db2.gz IUUCFVXLGHTUEY-YWZLYKJASA-N 2 0 325.456 3.045 20 0 EGADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343995604 164079018 /nfs/dbraw/zinc/07/90/18/164079018.db2.gz TWBLGVHXHLUQQG-HXUWFJFHSA-N 2 0 339.483 3.498 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1C ZINC000344028621 164086183 /nfs/dbraw/zinc/08/61/83/164086183.db2.gz HCIDCDHMUMPHNH-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000344036939 164087939 /nfs/dbraw/zinc/08/79/39/164087939.db2.gz VVLASUOPFDXVQB-IBGZPJMESA-N 2 0 349.519 3.070 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000344079157 164098841 /nfs/dbraw/zinc/09/88/41/164098841.db2.gz SVHFSSRONNTNSF-PMACEKPBSA-N 2 0 346.515 3.107 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc2c(c1)CCC2 ZINC000344115843 164106841 /nfs/dbraw/zinc/10/68/41/164106841.db2.gz AIRPMTUMDUXHJS-UHFFFAOYSA-N 2 0 329.532 3.025 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000345965836 164305090 /nfs/dbraw/zinc/30/50/90/164305090.db2.gz RLEJTEVKROLMNW-IRXDYDNUSA-N 2 0 343.515 3.226 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Cc1[nH]cnc1C)c1ccccc1Cl ZINC000346027117 164321084 /nfs/dbraw/zinc/32/10/84/164321084.db2.gz DZIDVIAGSJEOLR-QGZVFWFLSA-N 2 0 348.878 3.113 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000354989413 166080323 /nfs/dbraw/zinc/08/03/23/166080323.db2.gz YVHQOECPKRLLTK-QYZOEREBSA-N 2 0 326.525 3.062 20 0 EGADRP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C[NH+](C)C)CC3)o2)cc1 ZINC000350953074 165086364 /nfs/dbraw/zinc/08/63/64/165086364.db2.gz VGZNJTJRALCFAG-OAHLLOKOSA-N 2 0 328.460 3.380 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000352012473 165192016 /nfs/dbraw/zinc/19/20/16/165192016.db2.gz FOAUAUDTSBQIMU-IAGOWNOFSA-N 2 0 331.504 3.082 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000355135061 166115222 /nfs/dbraw/zinc/11/52/22/166115222.db2.gz RYFLYKGATPSPSL-CTWPCTMYSA-N 2 0 337.552 3.312 20 0 EGADRP Cn1cnc2cc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000355216838 166137567 /nfs/dbraw/zinc/13/75/67/166137567.db2.gz JKGJEOKLJCVSIB-LJQANCHMSA-N 2 0 334.467 3.185 20 0 EGADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC000355834150 166323194 /nfs/dbraw/zinc/32/31/94/166323194.db2.gz AOSJJSLAYWGFLI-UHFFFAOYSA-N 2 0 340.471 3.110 20 0 EGADRP CC[N@H+](CCC1CC[NH2+]CC1)CC1CCN(c2ccccn2)CC1 ZINC000359199722 167093580 /nfs/dbraw/zinc/09/35/80/167093580.db2.gz FCDZSVQBPDTSIM-UHFFFAOYSA-N 2 0 330.520 3.010 20 0 EGADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)CC(C)C ZINC000359854526 167249154 /nfs/dbraw/zinc/24/91/54/167249154.db2.gz KNEPRWOEDKOICS-OAQYLSRUSA-N 2 0 346.563 3.392 20 0 EGADRP Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(C[NH+](C)C)CC3)o2)c1 ZINC000360403612 167321987 /nfs/dbraw/zinc/32/19/87/167321987.db2.gz ZEGMJSANVNGSLW-HNNXBMFYSA-N 2 0 328.460 3.380 20 0 EGADRP C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030482 168170283 /nfs/dbraw/zinc/17/02/83/168170283.db2.gz QSFDFKFAPPWDSU-PXNSSMCTSA-N 2 0 349.950 3.230 20 0 EGADRP C[C@H]1C[N@H+](CCCN[C@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599173 168246789 /nfs/dbraw/zinc/24/67/89/168246789.db2.gz UKKIUDMPYZEFCN-WMZOPIPTSA-N 2 0 334.508 3.122 20 0 EGADRP OCCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000367614936 168249515 /nfs/dbraw/zinc/24/95/15/168249515.db2.gz JGRZOYBSPISWIS-PCCBWWKXSA-N 2 0 342.527 3.429 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000367681533 168258187 /nfs/dbraw/zinc/25/81/87/168258187.db2.gz CQSQVMBHLNVDHX-GOSISDBHSA-N 2 0 332.536 3.419 20 0 EGADRP C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123533145 222292820 /nfs/dbraw/zinc/29/28/20/222292820.db2.gz XBAWTWHSYPUBDK-OXJNMPFZSA-N 2 0 328.456 3.011 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000178035443 265293423 /nfs/dbraw/zinc/29/34/23/265293423.db2.gz XTQLMIINIZAWDO-MSOLQXFVSA-N 2 0 333.520 3.152 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180206395 265398321 /nfs/dbraw/zinc/39/83/21/265398321.db2.gz CFFAUPCPWXBKII-GTPINHCMSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000269947530 266387820 /nfs/dbraw/zinc/38/78/20/266387820.db2.gz QOZPCFCMCKDRMY-UHFFFAOYSA-N 2 0 342.508 3.384 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000274575534 267256708 /nfs/dbraw/zinc/25/67/08/267256708.db2.gz FQACBOCOOZPASW-MRXNPFEDSA-N 2 0 331.504 3.065 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759423 267281833 /nfs/dbraw/zinc/28/18/33/267281833.db2.gz JQIAGIAVSNETNT-ICSRJNTNSA-N 3 0 329.532 3.219 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H](C)C1 ZINC000274777259 267284964 /nfs/dbraw/zinc/28/49/64/267284964.db2.gz OHZHRZWXKWJVJV-YLJYHZDGSA-N 2 0 348.531 3.141 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H](C)C1 ZINC000274777258 267285506 /nfs/dbraw/zinc/28/55/06/267285506.db2.gz OHZHRZWXKWJVJV-XLIONFOSSA-N 2 0 348.531 3.141 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274898540 267304496 /nfs/dbraw/zinc/30/44/96/267304496.db2.gz KQQABFMRNGHCOO-TYPHKJRUSA-N 2 0 329.532 3.219 20 0 EGADRP Cc1cc(C)n(CCC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000274967439 267312875 /nfs/dbraw/zinc/31/28/75/267312875.db2.gz XPUNOALJBCXEOT-TZIWHRDSSA-N 2 0 340.515 3.390 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000275386803 267353388 /nfs/dbraw/zinc/35/33/88/267353388.db2.gz YDKLLKQTDAVPCZ-HBMCJLEFSA-N 2 0 330.516 3.221 20 0 EGADRP CSc1cc2c(cc1C[NH2+]CC1CC[NH+](C3CC3)CC1)OCCO2 ZINC000278108203 267944103 /nfs/dbraw/zinc/94/41/03/267944103.db2.gz BCNVVFZEWBTLAI-UHFFFAOYSA-N 2 0 348.512 3.144 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278445260 268014624 /nfs/dbraw/zinc/01/46/24/268014624.db2.gz KWVMCBIAQDJNLY-MRXNPFEDSA-N 2 0 332.488 3.237 20 0 EGADRP Cc1nc(F)ccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000278487587 268023758 /nfs/dbraw/zinc/02/37/58/268023758.db2.gz STPLJRMLPCOILU-HZPDHXFCSA-N 2 0 349.494 3.240 20 0 EGADRP COCCCOc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278497258 268025376 /nfs/dbraw/zinc/02/53/76/268025376.db2.gz MVGPZBMWMLGMRM-UHFFFAOYSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000092562262 275154611 /nfs/dbraw/zinc/15/46/11/275154611.db2.gz AQOLJFLNWAKGRD-UHFFFAOYSA-N 2 0 336.520 3.351 20 0 EGADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CCN(c2ccccn2)CC1 ZINC000125303855 275191594 /nfs/dbraw/zinc/19/15/94/275191594.db2.gz MXEGRNUYMXBOJF-IBGZPJMESA-N 2 0 330.520 3.104 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000271898677 275239692 /nfs/dbraw/zinc/23/96/92/275239692.db2.gz VAOQVZUWSWYFSM-CQSZACIVSA-N 2 0 328.435 3.232 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2cccnc2)C2CCC2)C[C@@H](C)O1 ZINC000280800625 275496821 /nfs/dbraw/zinc/49/68/21/275496821.db2.gz IKASDNJIYGDXRZ-HLIPFELVSA-N 2 0 331.504 3.402 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000281954534 275591302 /nfs/dbraw/zinc/59/13/02/275591302.db2.gz MIOGEOYYYRAZBU-QGZVFWFLSA-N 2 0 349.478 3.365 20 0 EGADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284506621 275805947 /nfs/dbraw/zinc/80/59/47/275805947.db2.gz YAUJTVWJRAJDLW-WIYYLYMNSA-N 2 0 346.515 3.454 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000343566593 276011535 /nfs/dbraw/zinc/01/15/35/276011535.db2.gz IKIZGHBMIILHRI-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338945518 276073147 /nfs/dbraw/zinc/07/31/47/276073147.db2.gz RVWKESSTTLASLO-KRWDZBQOSA-N 2 0 326.488 3.169 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000287106302 276084553 /nfs/dbraw/zinc/08/45/53/276084553.db2.gz QHQTZJKWOCUHMB-DGQTTZFYSA-N 2 0 347.547 3.395 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000248653642 276199463 /nfs/dbraw/zinc/19/94/63/276199463.db2.gz UYGQQGAKFQOFBX-HOJAQTOUSA-N 2 0 329.532 3.184 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360839909 276199578 /nfs/dbraw/zinc/19/95/78/276199578.db2.gz ZNMADZPQJPLYCF-XLIONFOSSA-N 2 0 329.532 3.415 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1)C(C)C ZINC000289091969 276289514 /nfs/dbraw/zinc/28/95/14/276289514.db2.gz BOJYBAHJEUBDCA-IYARVYRRSA-N 2 0 345.531 3.412 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@@H](C)CCSC)CC1 ZINC000353799683 276388459 /nfs/dbraw/zinc/38/84/59/276388459.db2.gz BLPYDERFXOHOPK-KRWDZBQOSA-N 2 0 335.561 3.402 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000290418383 276493138 /nfs/dbraw/zinc/49/31/38/276493138.db2.gz UPQMKMDQLLNDSI-AEFFLSMTSA-N 2 0 340.467 3.454 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Br)nc1 ZINC000290597659 276517045 /nfs/dbraw/zinc/51/70/45/276517045.db2.gz GYMLYZNKNNYDBK-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000181010590 276789264 /nfs/dbraw/zinc/78/92/64/276789264.db2.gz GCMFBBHSPLPJGQ-WOJBJXKFSA-N 2 0 329.532 3.184 20 0 EGADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000292438103 276796875 /nfs/dbraw/zinc/79/68/75/276796875.db2.gz JPRLDTFCUGBEFA-HXUWFJFHSA-N 2 0 339.483 3.015 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1C ZINC000366350771 277326137 /nfs/dbraw/zinc/32/61/37/277326137.db2.gz WJMRGSBVZWLTJW-GJYPPUQNSA-N 2 0 336.520 3.351 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000346068010 277658861 /nfs/dbraw/zinc/65/88/61/277658861.db2.gz LRCLQEICWQGIIT-OAHLLOKOSA-N 2 0 332.492 3.209 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C(C)(C)n1cncn1 ZINC000368096981 278335861 /nfs/dbraw/zinc/33/58/61/278335861.db2.gz CXCPGMDBRHNKDW-MRXNPFEDSA-N 2 0 333.524 3.036 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000274184013 279137408 /nfs/dbraw/zinc/13/74/08/279137408.db2.gz GHEVNUFYJRFNKE-UHFFFAOYSA-N 2 0 332.488 3.304 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCN(C(C)C)C2=O)c1 ZINC000174996372 279138108 /nfs/dbraw/zinc/13/81/08/279138108.db2.gz CHMKIUGHYQSTMP-IBGZPJMESA-N 2 0 331.504 3.017 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000355707030 279141022 /nfs/dbraw/zinc/14/10/22/279141022.db2.gz UJSFVRUQXRCNKS-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000354284590 279154470 /nfs/dbraw/zinc/15/44/70/279154470.db2.gz XWYIBNOPESJNHX-GGPKGHCWSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1)C(C)C ZINC000261872390 279235148 /nfs/dbraw/zinc/23/51/48/279235148.db2.gz SNFXUVZULIODGR-APWZRJJASA-N 2 0 331.504 3.116 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)cc1)C1CC1 ZINC000362603016 279235881 /nfs/dbraw/zinc/23/58/81/279235881.db2.gz RUHKXNOYEFEVEU-OXQOHEQNSA-N 2 0 343.515 3.129 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCCOCC2)CC1 ZINC000356670454 279374085 /nfs/dbraw/zinc/37/40/85/279374085.db2.gz GDBJESUJNMQAPA-AEFFLSMTSA-N 2 0 349.494 3.187 20 0 EGADRP C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375818375 288254509 /nfs/dbraw/zinc/25/45/09/288254509.db2.gz WCRJDPQIHIZXMV-YSGRDPCXSA-N 2 0 347.934 3.285 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CCCCCC[NH3+])c2ccccc2)CC1 ZINC000236726369 281835756 /nfs/dbraw/zinc/83/57/56/281835756.db2.gz VNVMEGATJVXIJT-HXUWFJFHSA-N 2 0 345.531 3.485 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000122830741 289225998 /nfs/dbraw/zinc/22/59/98/289225998.db2.gz CINFQKQHOQZXIF-ROUUACIJSA-N 2 0 347.503 3.284 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261605473 290012622 /nfs/dbraw/zinc/01/26/22/290012622.db2.gz COOJTWZIOZWLLU-VIBAHUMZSA-N 2 0 330.476 3.139 20 0 EGADRP [NH3+][C@H](CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000119482206 295329720 /nfs/dbraw/zinc/32/97/20/295329720.db2.gz IXMYLQZLQCHCJM-WOJBJXKFSA-N 2 0 337.467 3.030 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CCC2)cc1 ZINC000187278790 301720946 /nfs/dbraw/zinc/72/09/46/301720946.db2.gz LVENZZRSSACVPA-NRFANRHFSA-N 2 0 329.532 3.452 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000061040297 307352255 /nfs/dbraw/zinc/35/22/55/307352255.db2.gz FHZKWCUAPOECCN-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000121803833 307523354 /nfs/dbraw/zinc/52/33/54/307523354.db2.gz FEBWQCXCNJVYBT-UHFFFAOYSA-N 2 0 329.488 3.213 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414072702 309059116 /nfs/dbraw/zinc/05/91/16/309059116.db2.gz VCNZIDBQDHJAME-INIZCTEOSA-N 2 0 344.528 3.098 20 0 EGADRP C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133646970 307675732 /nfs/dbraw/zinc/67/57/32/307675732.db2.gz LNDYQYAJDAJIDK-XLIONFOSSA-N 2 0 345.531 3.264 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)C[C@@H]2CCCO2)CC1 ZINC000151868587 307740755 /nfs/dbraw/zinc/74/07/55/307740755.db2.gz NPAQCPZKLRUQMX-QUCCMNQESA-N 2 0 345.531 3.266 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000414191481 309065867 /nfs/dbraw/zinc/06/58/67/309065867.db2.gz SOCGJOKQQVKRBM-HKUYNNGSSA-N 2 0 326.488 3.314 20 0 EGADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OC)cc1 ZINC000154351363 307792791 /nfs/dbraw/zinc/79/27/91/307792791.db2.gz GCVCANLZOVKRNX-FQEVSTJZSA-N 2 0 333.520 3.154 20 0 EGADRP COCC1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000414319166 309072639 /nfs/dbraw/zinc/07/26/39/309072639.db2.gz YSOYJXDIXJMRRQ-LRYGQEGESA-N 2 0 334.504 3.483 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000165926078 307930228 /nfs/dbraw/zinc/93/02/28/307930228.db2.gz SAZOHWOOLGIZCJ-OAQYLSRUSA-N 2 0 349.478 3.150 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166493563 307930954 /nfs/dbraw/zinc/93/09/54/307930954.db2.gz RLVZZCKUKMKLNK-GHTZIAJQSA-N 2 0 329.532 3.236 20 0 EGADRP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414342590 309074116 /nfs/dbraw/zinc/07/41/16/309074116.db2.gz QCDHHSQAMFEOTK-XDWAVFMPSA-N 2 0 328.500 3.038 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248214932 308000244 /nfs/dbraw/zinc/00/02/44/308000244.db2.gz ZLJPRTUGVRATAV-ZBFHGGJFSA-N 2 0 339.549 3.462 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000248749969 308010749 /nfs/dbraw/zinc/01/07/49/308010749.db2.gz SZTBZQQOSYLOGX-UTKZUKDTSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000248841043 308012920 /nfs/dbraw/zinc/01/29/20/308012920.db2.gz QQYLAYSEEXOHSW-JYRKZWEQSA-N 2 0 346.515 3.276 20 0 EGADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249169645 308020516 /nfs/dbraw/zinc/02/05/16/308020516.db2.gz AQAQGRGYBSRPFJ-OXJNMPFZSA-N 2 0 342.458 3.113 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000255276192 308044693 /nfs/dbraw/zinc/04/46/93/308044693.db2.gz CZNSGDWKDCKPLC-ZRHASKPBSA-N 2 0 333.907 3.065 20 0 EGADRP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000293015702 308090394 /nfs/dbraw/zinc/09/03/94/308090394.db2.gz KDBILECTWQHEQG-DFNIBXOVSA-N 2 0 332.488 3.159 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000293566192 308142485 /nfs/dbraw/zinc/14/24/85/308142485.db2.gz XTPROPQKUFASHD-YRNRMSPPSA-N 2 0 332.463 3.367 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000293710704 308154965 /nfs/dbraw/zinc/15/49/65/308154965.db2.gz SJMGHLJUNCTKBB-HXUWFJFHSA-N 2 0 330.472 3.249 20 0 EGADRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)CN1CC[NH+](C)CC1 ZINC000293765342 308160000 /nfs/dbraw/zinc/16/00/00/308160000.db2.gz PGWIOKHCQYVFFM-JXFKEZNVSA-N 2 0 349.950 3.134 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000293789893 308162107 /nfs/dbraw/zinc/16/21/07/308162107.db2.gz UFJMRPNUAKDSLQ-QGZVFWFLSA-N 2 0 327.476 3.184 20 0 EGADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000294887780 308268253 /nfs/dbraw/zinc/26/82/53/308268253.db2.gz YCSKIQRBZPEHSF-WFXMFSGNSA-N 2 0 334.529 3.137 20 0 EGADRP COc1sc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000295105449 308291761 /nfs/dbraw/zinc/29/17/61/308291761.db2.gz VLEPVCQAMWMJJZ-FGWVZKOKSA-N 2 0 345.306 3.234 20 0 EGADRP CC[C@](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)(C(=O)OC)c1ccccc1 ZINC000414583028 309090583 /nfs/dbraw/zinc/09/05/83/309090583.db2.gz HKCSYSVPYLKAPE-OAQYLSRUSA-N 2 0 346.515 3.360 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCc1ccccc1 ZINC000414654217 309093682 /nfs/dbraw/zinc/09/36/82/309093682.db2.gz BPFMTKIUXFKLNN-APWZRJJASA-N 2 0 340.467 3.443 20 0 EGADRP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697859 309095965 /nfs/dbraw/zinc/09/59/65/309095965.db2.gz CLCYVDCEMQZJNK-HMXCVIKNSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414700522 309096037 /nfs/dbraw/zinc/09/60/37/309096037.db2.gz SXMKTZPPJVWNHZ-BZUAXINKSA-N 2 0 337.458 3.032 20 0 EGADRP C[C@H](C[NH3+])CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414717626 309097279 /nfs/dbraw/zinc/09/72/79/309097279.db2.gz UPHPOIWRZAOVLE-OAHLLOKOSA-N 2 0 332.492 3.167 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414673103 309094795 /nfs/dbraw/zinc/09/47/95/309094795.db2.gz QGJDEVORNRXPCH-CTNGQTDRSA-N 2 0 329.532 3.015 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000414676338 309095009 /nfs/dbraw/zinc/09/50/09/309095009.db2.gz HHTNQWYVLNDGFN-UONOGXRCSA-N 2 0 341.293 3.148 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000414676339 309095083 /nfs/dbraw/zinc/09/50/83/309095083.db2.gz HHTNQWYVLNDGFN-ZIAGYGMSSA-N 2 0 341.293 3.148 20 0 EGADRP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414686145 309095345 /nfs/dbraw/zinc/09/53/45/309095345.db2.gz FLDZETXCDHINTA-YVWKXTFCSA-N 2 0 332.488 3.064 20 0 EGADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414751106 309098799 /nfs/dbraw/zinc/09/87/99/309098799.db2.gz ZSPZFAVNIVRTMW-OKZBNKHCSA-N 2 0 331.504 3.422 20 0 EGADRP COc1ccc(C[N@H+](CC2CC2)C[C@@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000414758619 309099079 /nfs/dbraw/zinc/09/90/79/309099079.db2.gz VCTXFKUWHONGKP-NVXWUHKLSA-N 2 0 332.488 3.304 20 0 EGADRP Fc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000414767239 309099507 /nfs/dbraw/zinc/09/95/07/309099507.db2.gz JHDLGMYGHBVBDI-GASCZTMLSA-N 2 0 331.460 3.381 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000414777346 309100239 /nfs/dbraw/zinc/10/02/39/309100239.db2.gz ICTKYHNMWOHINL-QZTJIDSGSA-N 2 0 330.520 3.289 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c2ccccc12 ZINC000414777572 309100341 /nfs/dbraw/zinc/10/03/41/309100341.db2.gz FXQBLZASOUTHHY-QGZVFWFLSA-N 2 0 340.467 3.036 20 0 EGADRP Cc1cccc2oc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc21 ZINC000297792188 308564021 /nfs/dbraw/zinc/56/40/21/308564021.db2.gz WWCNMTRKNRGNGP-UHFFFAOYSA-N 2 0 336.439 3.332 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(C)C ZINC000414779512 309100718 /nfs/dbraw/zinc/10/07/18/309100718.db2.gz KGUMXUYUKKHGEP-QZTJIDSGSA-N 2 0 332.488 3.304 20 0 EGADRP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414783146 309100885 /nfs/dbraw/zinc/10/08/85/309100885.db2.gz PKYGXQLSGJRLTR-CVEARBPZSA-N 2 0 342.405 3.449 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414784632 309100938 /nfs/dbraw/zinc/10/09/38/309100938.db2.gz IPEFVHRDWRJRQS-UXHICEINSA-N 2 0 332.488 3.050 20 0 EGADRP Cc1cc2cc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)oc2cc1C ZINC000414784209 309101048 /nfs/dbraw/zinc/10/10/48/309101048.db2.gz QWXHQFYWGQBIHS-KRWDZBQOSA-N 2 0 328.456 3.237 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC12CCOCC2 ZINC000414788035 309101276 /nfs/dbraw/zinc/10/12/76/309101276.db2.gz MSOXYKICNVAHJX-SFHVURJKSA-N 2 0 344.499 3.195 20 0 EGADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414788284 309101279 /nfs/dbraw/zinc/10/12/79/309101279.db2.gz WNYQCLLYSRTDMZ-UONOGXRCSA-N 2 0 340.414 3.118 20 0 EGADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000414788530 309101351 /nfs/dbraw/zinc/10/13/51/309101351.db2.gz WWVBAZMQCWGWOI-KGLIPLIRSA-N 2 0 341.268 3.410 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414789207 309101440 /nfs/dbraw/zinc/10/14/40/309101440.db2.gz XZLMQOSKSWMKFZ-QZTJIDSGSA-N 2 0 332.488 3.053 20 0 EGADRP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789182 309101558 /nfs/dbraw/zinc/10/15/58/309101558.db2.gz XVCKBNVHRQVUTL-GJZGRUSLSA-N 2 0 342.405 3.449 20 0 EGADRP Cc1cc2cc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)oc2cc1C ZINC000414793382 309101801 /nfs/dbraw/zinc/10/18/01/309101801.db2.gz TYMKNRTZMFBWDZ-QUCCMNQESA-N 2 0 328.456 3.378 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000414802384 309102481 /nfs/dbraw/zinc/10/24/81/309102481.db2.gz MUMBTZDNSHJARQ-KBPBESRZSA-N 2 0 328.403 3.294 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414813930 309103201 /nfs/dbraw/zinc/10/32/01/309103201.db2.gz YVIYRTVRWIAPHB-HIFRSBDPSA-N 2 0 326.868 3.354 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@@H]([NH+](C)C)CC3)c2cc1OC ZINC000298939630 308650317 /nfs/dbraw/zinc/65/03/17/308650317.db2.gz PNWHXZAEEYSRLE-CQSZACIVSA-N 2 0 329.444 3.173 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414837588 309104812 /nfs/dbraw/zinc/10/48/12/309104812.db2.gz KLZTWNLANZJJSH-GJZGRUSLSA-N 2 0 337.895 3.345 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000414841441 309105049 /nfs/dbraw/zinc/10/50/49/309105049.db2.gz OHSHIPBSZVMMMX-OAHLLOKOSA-N 2 0 328.456 3.316 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000303593344 308754106 /nfs/dbraw/zinc/75/41/06/308754106.db2.gz VSNDRYIPYBHSEO-XLIONFOSSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000310419278 308763684 /nfs/dbraw/zinc/76/36/84/308763684.db2.gz QILWDXRARNZTJV-INIZCTEOSA-N 2 0 341.540 3.391 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)ccc2n1 ZINC000333094279 308849844 /nfs/dbraw/zinc/84/98/44/308849844.db2.gz CXQHKTONMTUMPJ-TZIWHRDSSA-N 2 0 339.483 3.262 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000348684389 308883851 /nfs/dbraw/zinc/88/38/51/308883851.db2.gz PKIKLBNSVPFWJQ-HOTGVXAUSA-N 2 0 343.471 3.442 20 0 EGADRP CC(=O)N(C)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411216007 308931194 /nfs/dbraw/zinc/93/11/94/308931194.db2.gz DHCRNJNCXMOVEK-UHFFFAOYSA-N 2 0 343.515 3.115 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2cc1OC ZINC000413143380 309018108 /nfs/dbraw/zinc/01/81/08/309018108.db2.gz WHOJFSXRXPFEQC-OAHLLOKOSA-N 2 0 341.455 3.317 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2cc1OC ZINC000413191398 309020628 /nfs/dbraw/zinc/02/06/28/309020628.db2.gz GUDRSKDBCBCWND-PBHICJAKSA-N 2 0 341.455 3.173 20 0 EGADRP CC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000413330614 309027177 /nfs/dbraw/zinc/02/71/77/309027177.db2.gz REHDLKGYQCUYPH-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414904216 309108381 /nfs/dbraw/zinc/10/83/81/309108381.db2.gz MJDQGCGERUCURR-UHFFFAOYSA-N 2 0 325.172 3.296 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000414918605 309109364 /nfs/dbraw/zinc/10/93/64/309109364.db2.gz UVYQXFFWXJOLFT-RDTXWAMCSA-N 2 0 337.895 3.345 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC[NH2+]1 ZINC000414946794 309110732 /nfs/dbraw/zinc/11/07/32/309110732.db2.gz KCXLOSRNHZXXSI-ZFWWWQNUSA-N 2 0 339.886 3.174 20 0 EGADRP CCOc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc(Cl)c1OC ZINC000414969771 309112290 /nfs/dbraw/zinc/11/22/90/309112290.db2.gz JMBXBGADHPFBIG-AWEZNQCLSA-N 2 0 326.868 3.369 20 0 EGADRP CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414980725 309112610 /nfs/dbraw/zinc/11/26/10/309112610.db2.gz WNYSKMMKADQKCS-LJQANCHMSA-N 2 0 346.519 3.354 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414985337 309112920 /nfs/dbraw/zinc/11/29/20/309112920.db2.gz BFHMSJKSZDKOGM-DGCLKSJQSA-N 2 0 327.266 3.065 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414995946 309113247 /nfs/dbraw/zinc/11/32/47/309113247.db2.gz NZOOYKRBCJIIQB-DGCLKSJQSA-N 2 0 340.393 3.199 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1Cl ZINC000415010149 309114096 /nfs/dbraw/zinc/11/40/96/309114096.db2.gz FYQLXCGRXPQSRL-UONOGXRCSA-N 2 0 325.884 3.473 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000415018150 309114610 /nfs/dbraw/zinc/11/46/10/309114610.db2.gz TWPHJBKWJVSIJY-CQSZACIVSA-N 2 0 337.895 3.052 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000415025318 309115100 /nfs/dbraw/zinc/11/51/00/309115100.db2.gz PTNZZGCGHLFGSR-HDJSIYSDSA-N 2 0 338.879 3.356 20 0 EGADRP COc1ccc(Br)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415025628 309115108 /nfs/dbraw/zinc/11/51/08/309115108.db2.gz QNGCCUHFUOQJGA-JOCQHMNTSA-N 2 0 341.293 3.312 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415027884 309115159 /nfs/dbraw/zinc/11/51/59/309115159.db2.gz XJJJWOIEEVRVTA-RBSFLKMASA-N 2 0 337.895 3.412 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cs2)cc1 ZINC000415027843 309115251 /nfs/dbraw/zinc/11/52/51/309115251.db2.gz BSJNXUFSIKPMEB-LSDHHAIUSA-N 2 0 331.485 3.248 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415048301 309116435 /nfs/dbraw/zinc/11/64/35/309116435.db2.gz WTHDLDHUONVERD-OALUTQOASA-N 2 0 326.488 3.074 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415081100 309118785 /nfs/dbraw/zinc/11/87/85/309118785.db2.gz KAFVMBIQVNPGEC-QUCCMNQESA-N 2 0 340.515 3.374 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415085514 309119276 /nfs/dbraw/zinc/11/92/76/309119276.db2.gz QSYFNHTXVLHAJK-PLOVASNDSA-N 2 0 346.515 3.432 20 0 EGADRP Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)n1 ZINC000415091212 309119620 /nfs/dbraw/zinc/11/96/20/309119620.db2.gz PYPALFUVBSSTSJ-HKUYNNGSSA-N 2 0 330.520 3.259 20 0 EGADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000415096637 309120016 /nfs/dbraw/zinc/12/00/16/309120016.db2.gz BVFFZEHPVSRNPX-WMLDXEAASA-N 2 0 337.458 3.049 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000415106565 309120668 /nfs/dbraw/zinc/12/06/68/309120668.db2.gz JSWWMVIBMRPXFY-RTWAWAEBSA-N 2 0 344.499 3.194 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415120425 309121755 /nfs/dbraw/zinc/12/17/55/309121755.db2.gz FZMSCFUDIWWGDX-SWLSCSKDSA-N 2 0 348.441 3.184 20 0 EGADRP C[C@H]1CCC[C@@H](C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415126773 309122174 /nfs/dbraw/zinc/12/21/74/309122174.db2.gz GVEYKEAQXNRGPJ-AZUAARDMSA-N 2 0 329.532 3.396 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000415128546 309122435 /nfs/dbraw/zinc/12/24/35/309122435.db2.gz SFRZRCWHRJWSHB-SJORKVTESA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C1 ZINC000415129367 309122513 /nfs/dbraw/zinc/12/25/13/309122513.db2.gz UMZPEEKVUURDJY-NVXWUHKLSA-N 2 0 340.414 3.006 20 0 EGADRP CCc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415132285 309122710 /nfs/dbraw/zinc/12/27/10/309122710.db2.gz KUDCHRXCFGZFKQ-UHFFFAOYSA-N 2 0 337.511 3.332 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000415903811 309147121 /nfs/dbraw/zinc/14/71/21/309147121.db2.gz QTRRPPGPAREATR-UHFFFAOYSA-N 2 0 340.471 3.050 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000415911988 309147951 /nfs/dbraw/zinc/14/79/51/309147951.db2.gz FQIXEEYVEDVSBV-KRWDZBQOSA-N 2 0 332.492 3.038 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415917910 309148603 /nfs/dbraw/zinc/14/86/03/309148603.db2.gz JYJIKWAZMMQQBO-IYBDPMFKSA-N 2 0 346.519 3.284 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000415977966 309152426 /nfs/dbraw/zinc/15/24/26/309152426.db2.gz ZJBIZIUEQXQMGT-UHFFFAOYSA-N 2 0 332.492 3.184 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000416161801 309161647 /nfs/dbraw/zinc/16/16/47/309161647.db2.gz NSLQWSAXLSEUQS-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417316529 309201510 /nfs/dbraw/zinc/20/15/10/309201510.db2.gz UIWRXORPPNDVQN-RYQLBKOJSA-N 2 0 335.561 3.103 20 0 EGADRP C[C@H](CCC[NH3+])NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000417709055 309219150 /nfs/dbraw/zinc/21/91/50/309219150.db2.gz SPSXAVVTCDMPDK-SJORKVTESA-N 2 0 346.519 3.077 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000417802584 309223024 /nfs/dbraw/zinc/22/30/24/309223024.db2.gz AQSVQXCWDJYQSR-GOSISDBHSA-N 2 0 325.456 3.461 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1 ZINC000419807912 309272407 /nfs/dbraw/zinc/27/24/07/309272407.db2.gz UAOKDANWIQYCAU-KBPBESRZSA-N 2 0 339.936 3.075 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000420294926 309279890 /nfs/dbraw/zinc/27/98/90/309279890.db2.gz BNAIYEIHWVLBID-ROUUACIJSA-N 2 0 340.467 3.236 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000420297737 309279895 /nfs/dbraw/zinc/27/98/95/309279895.db2.gz RQEWOLMFVDWMDE-UHFFFAOYSA-N 2 0 330.428 3.041 20 0 EGADRP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297484 309279934 /nfs/dbraw/zinc/27/99/34/309279934.db2.gz FYMZQIVEXAPHJA-ZEWNOJEFSA-N 2 0 342.458 3.140 20 0 EGADRP CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297776 309279993 /nfs/dbraw/zinc/27/99/93/309279993.db2.gz DNRMAINDIFNCMP-YYWHXJBOSA-N 2 0 326.484 3.218 20 0 EGADRP C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295867 309280054 /nfs/dbraw/zinc/28/00/54/309280054.db2.gz BBEOSPXYCDVFFL-HSQYWUDLSA-N 2 0 338.495 3.218 20 0 EGADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000420298832 309280201 /nfs/dbraw/zinc/28/02/01/309280201.db2.gz HYPAMKFLAZSHES-SFHVURJKSA-N 2 0 343.515 3.003 20 0 EGADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000420298831 309280235 /nfs/dbraw/zinc/28/02/35/309280235.db2.gz HYPAMKFLAZSHES-GOSISDBHSA-N 2 0 343.515 3.003 20 0 EGADRP C[N@H+](CCc1cccc2ccccc21)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420305218 309280798 /nfs/dbraw/zinc/28/07/98/309280798.db2.gz PEEFECQYWDMAHY-GOTSBHOMSA-N 2 0 348.490 3.245 20 0 EGADRP c1ccc(-c2noc(CCC[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420333738 309282782 /nfs/dbraw/zinc/28/27/82/309282782.db2.gz FQIUFOAGGZHBFH-GOSISDBHSA-N 2 0 340.471 3.133 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000420338033 309282947 /nfs/dbraw/zinc/28/29/47/309282947.db2.gz NOCJKDIYVLAFLZ-OAGGEKHMSA-N 2 0 349.906 3.215 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)n1 ZINC000420340555 309283237 /nfs/dbraw/zinc/28/32/37/309283237.db2.gz SNJFKZYOJURSFL-OAQYLSRUSA-N 2 0 338.499 3.453 20 0 EGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344112 309283385 /nfs/dbraw/zinc/28/33/85/309283385.db2.gz SCUKUYJCTWAGKR-XHSDSOJGSA-N 2 0 347.528 3.057 20 0 EGADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420373355 309284922 /nfs/dbraw/zinc/28/49/22/309284922.db2.gz GIVLVBRPSOUCKA-AEFFLSMTSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3nc4ccccc4s3)CC2)C1 ZINC000420379996 309285220 /nfs/dbraw/zinc/28/52/20/309285220.db2.gz BHSYHEKEZCNBCB-GDBMZVCRSA-N 2 0 331.485 3.015 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000420383743 309285543 /nfs/dbraw/zinc/28/55/43/309285543.db2.gz ZYKUCADTLOTMGW-OTWHNJEPSA-N 2 0 332.875 3.312 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000420381552 309285567 /nfs/dbraw/zinc/28/55/67/309285567.db2.gz XVARMHFPZFSDMP-UFYCRDLUSA-N 2 0 344.886 3.312 20 0 EGADRP C[NH2+]CCC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420406053 309286620 /nfs/dbraw/zinc/28/66/20/309286620.db2.gz NJFYNUFPQZAWOM-SJORKVTESA-N 2 0 327.875 3.202 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000420410528 309286852 /nfs/dbraw/zinc/28/68/52/309286852.db2.gz XVWXDHZYMGOAQN-TZIWHRDSSA-N 2 0 338.499 3.453 20 0 EGADRP Cn1c2ccccc2nc1[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420418660 309287034 /nfs/dbraw/zinc/28/70/34/309287034.db2.gz XDQWIFLBKBMHJN-JXFKEZNVSA-N 2 0 334.467 3.252 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000420978594 309305598 /nfs/dbraw/zinc/30/55/98/309305598.db2.gz JEJNBYGIQYXIBG-KRWDZBQOSA-N 2 0 333.495 3.379 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(F)cc3C)CC2)CC1 ZINC000420986336 309306084 /nfs/dbraw/zinc/30/60/84/309306084.db2.gz XYKUHVBGMXIIKQ-UHFFFAOYSA-N 2 0 333.495 3.126 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(C4CC4)c3)CC2)CC1 ZINC000421328842 309318716 /nfs/dbraw/zinc/31/87/16/309318716.db2.gz UIXUVGKIJRSBEO-UHFFFAOYSA-N 2 0 327.516 3.212 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1C ZINC000421367216 309320823 /nfs/dbraw/zinc/32/08/23/309320823.db2.gz DGCIZRDUGXXTTD-ZLPCBKJTSA-N 2 0 331.504 3.483 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000421372227 309321219 /nfs/dbraw/zinc/32/12/19/309321219.db2.gz KXRRIXFIMMVXHJ-UHFFFAOYSA-N 2 0 340.515 3.160 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421379168 309321590 /nfs/dbraw/zinc/32/15/90/309321590.db2.gz WIXSWBLVEVLJIT-WWDZGPRUSA-N 2 0 334.504 3.487 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000421381489 309321824 /nfs/dbraw/zinc/32/18/24/309321824.db2.gz WTUYEDFWDFGDSR-RBBKRZOGSA-N 2 0 341.543 3.282 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1Cl ZINC000421834399 309342243 /nfs/dbraw/zinc/34/22/43/309342243.db2.gz CFXBQMYKBUJVOH-YOEHRIQHSA-N 2 0 345.874 3.152 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421840335 309342640 /nfs/dbraw/zinc/34/26/40/309342640.db2.gz YSHGBRIWESNGIT-UKRRQHHQSA-N 2 0 328.884 3.356 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000422641859 309363097 /nfs/dbraw/zinc/36/30/97/309363097.db2.gz YMZCEYFOZBFFNM-UPJWGTAASA-N 2 0 341.858 3.113 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422702949 309363825 /nfs/dbraw/zinc/36/38/25/309363825.db2.gz LWQCKMQVPYEUNO-NJDAHSKKSA-N 2 0 341.543 3.334 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422704771 309363842 /nfs/dbraw/zinc/36/38/42/309363842.db2.gz AQXFDDPCXHTXGD-AWEZNQCLSA-N 2 0 329.419 3.295 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422712736 309364409 /nfs/dbraw/zinc/36/44/09/309364409.db2.gz IUEIBGKRPMUIKE-BRKWEVRTSA-N 2 0 341.543 3.334 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422718024 309364558 /nfs/dbraw/zinc/36/45/58/309364558.db2.gz WQBYGFNDFKZYBJ-VQIMIIECSA-N 2 0 341.455 3.490 20 0 EGADRP CCC[NH+](CCC)CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422716872 309364737 /nfs/dbraw/zinc/36/47/37/309364737.db2.gz UUETZVJUZSSDHK-PZJWPPBQSA-N 2 0 345.531 3.344 20 0 EGADRP CO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422731177 309365766 /nfs/dbraw/zinc/36/57/66/309365766.db2.gz GMGLENCHTUUZDL-TYPHKJRUSA-N 2 0 338.451 3.220 20 0 EGADRP Fc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422734779 309365940 /nfs/dbraw/zinc/36/59/40/309365940.db2.gz UAEUIKBGDNYKQM-QUCCMNQESA-N 2 0 326.415 3.214 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000422772229 309367593 /nfs/dbraw/zinc/36/75/93/309367593.db2.gz SBWDNXMPNUPQDK-CQSZACIVSA-N 2 0 325.456 3.488 20 0 EGADRP c1ccc(OCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422787048 309368337 /nfs/dbraw/zinc/36/83/37/309368337.db2.gz LPKUWICBIWZBBV-FPOVZHCZSA-N 2 0 338.451 3.301 20 0 EGADRP Cc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422789074 309368366 /nfs/dbraw/zinc/36/83/66/309368366.db2.gz SZNDCFSFVCSICY-WMQCIHAUSA-N 2 0 325.500 3.146 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(Br)c1 ZINC000422792934 309368395 /nfs/dbraw/zinc/36/83/95/309368395.db2.gz FAFHLIYHBNUAQM-ZENOOKHLSA-N 2 0 341.293 3.194 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422812278 309369688 /nfs/dbraw/zinc/36/96/88/309369688.db2.gz WCZHHEPLUQTJOU-GXRSIYKFSA-N 2 0 341.543 3.334 20 0 EGADRP CCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000422814805 309369893 /nfs/dbraw/zinc/36/98/93/309369893.db2.gz WEAGDESUOUMMRP-YLJYHZDGSA-N 2 0 330.472 3.039 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCc3ccccc32)CC[NH2+]CC1 ZINC000422813516 309369932 /nfs/dbraw/zinc/36/99/32/309369932.db2.gz ZKHVYZBWKLEEGA-AEFFLSMTSA-N 2 0 344.499 3.018 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1OCC(F)(F)F ZINC000422823953 309370290 /nfs/dbraw/zinc/37/02/90/309370290.db2.gz FPNCNXICRZKNCD-JSGCOSHPSA-N 2 0 346.393 3.114 20 0 EGADRP Clc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)c1 ZINC000422840059 309371276 /nfs/dbraw/zinc/37/12/76/309371276.db2.gz AVHFYXDORHMBNM-SWDXFRIISA-N 2 0 333.907 3.350 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842330 309371522 /nfs/dbraw/zinc/37/15/22/309371522.db2.gz YCOOFRKPCLPHQZ-RHSMWYFYSA-N 2 0 344.890 3.432 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCSc3ccccc32)CC[NH2+]CC1 ZINC000422866439 309372730 /nfs/dbraw/zinc/37/27/30/309372730.db2.gz QFXKOITYWJRAJP-HOCLYGCPSA-N 2 0 348.512 3.135 20 0 EGADRP C[C@H](O)C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000422873555 309373265 /nfs/dbraw/zinc/37/32/65/309373265.db2.gz LOJKNNMIRHPKPS-PZBISTMVSA-N 2 0 326.484 3.089 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000422877665 309373527 /nfs/dbraw/zinc/37/35/27/309373527.db2.gz IAEFWHNNVYOLEV-WFASDCNBSA-N 2 0 325.294 3.444 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H](CC)[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422879821 309373707 /nfs/dbraw/zinc/37/37/07/309373707.db2.gz MTPYBAVRONODFO-UXHICEINSA-N 2 0 346.515 3.254 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422893578 309374552 /nfs/dbraw/zinc/37/45/52/309374552.db2.gz AHLFFRNIEFWWFE-HUYLIWGRSA-N 2 0 331.479 3.162 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901318 309375250 /nfs/dbraw/zinc/37/52/50/309375250.db2.gz RXPRHKVCGZYKFB-YRISNDGFSA-N 2 0 341.474 3.200 20 0 EGADRP c1cc2c(cc1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)OCCO2 ZINC000422930408 309376650 /nfs/dbraw/zinc/37/66/50/309376650.db2.gz UFUUSIMJROMRFW-IPMKNSEASA-N 2 0 344.499 3.291 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422935082 309376940 /nfs/dbraw/zinc/37/69/40/309376940.db2.gz KMWZACBSNRSVTF-IAQYHMDHSA-N 2 0 329.257 3.108 20 0 EGADRP Cc1ccccc1OCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422948414 309377698 /nfs/dbraw/zinc/37/76/98/309377698.db2.gz RGCHQHWOCNWCFL-NQIIRXRSSA-N 2 0 338.451 3.219 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000422950568 309377759 /nfs/dbraw/zinc/37/77/59/309377759.db2.gz YJWSULBVJJTTJC-GQOXECLESA-N 2 0 337.467 3.474 20 0 EGADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422963680 309378622 /nfs/dbraw/zinc/37/86/22/309378622.db2.gz GJIFMIPJWUCISN-UAFMIMERSA-N 2 0 330.516 3.299 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422996519 309380050 /nfs/dbraw/zinc/38/00/50/309380050.db2.gz MJZPKDCKLMCVRO-HLAWJBBLSA-N 2 0 329.532 3.437 20 0 EGADRP COc1cccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422996844 309380116 /nfs/dbraw/zinc/38/01/16/309380116.db2.gz ABXFITYYHOBGMU-XUVXKRRUSA-N 2 0 332.488 3.112 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000422997907 309380203 /nfs/dbraw/zinc/38/02/03/309380203.db2.gz PDSGYPSKKGSMQM-MBOZVWFJSA-N 2 0 334.504 3.419 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423010744 309380763 /nfs/dbraw/zinc/38/07/63/309380763.db2.gz HKMWPOSZJUMDOQ-LSDHHAIUSA-N 2 0 327.472 3.387 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000423013637 309380907 /nfs/dbraw/zinc/38/09/07/309380907.db2.gz NCGWTZHFVOGUOB-NBYUQASBSA-N 2 0 341.499 3.385 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423013067 309381054 /nfs/dbraw/zinc/38/10/54/309381054.db2.gz LZVGKYVSEOQYCT-IIBYNOLFSA-N 2 0 334.467 3.135 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423019355 309381411 /nfs/dbraw/zinc/38/14/11/309381411.db2.gz VJQZAWSYRKMKTP-FJJYHAOUSA-N 2 0 329.282 3.241 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031265 309382032 /nfs/dbraw/zinc/38/20/32/309382032.db2.gz WXLQORNGHYIMTQ-WZPWBUNQSA-N 2 0 339.886 3.060 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423034725 309382249 /nfs/dbraw/zinc/38/22/49/309382249.db2.gz QKNJWZQQVYYIHX-HBXLWWENSA-N 2 0 330.472 3.037 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nccs1 ZINC000423041215 309382529 /nfs/dbraw/zinc/38/25/29/309382529.db2.gz WLQAHLJLEHCYAZ-DDUZABMNSA-N 2 0 329.469 3.092 20 0 EGADRP CCC(CC)(C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(OC)c(OC)c1 ZINC000423046222 309382725 /nfs/dbraw/zinc/38/27/25/309382725.db2.gz FDZDSERQQBPIRJ-NVXWUHKLSA-N 2 0 334.504 3.492 20 0 EGADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423045444 309382777 /nfs/dbraw/zinc/38/27/77/309382777.db2.gz SBBPVDMHEONVAO-ZJSJBZJDSA-N 2 0 344.499 3.426 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)[C@H]1CC[NH2+]C1 ZINC000423050054 309383088 /nfs/dbraw/zinc/38/30/88/309383088.db2.gz LDWQJZNSYFHRQH-WBVHZDCISA-N 2 0 328.431 3.492 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000423055197 309383466 /nfs/dbraw/zinc/38/34/66/309383466.db2.gz CWPDJTCXXROQAL-ZIFCJYIRSA-N 2 0 335.536 3.211 20 0 EGADRP Fc1ccc(CCCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423059557 309383792 /nfs/dbraw/zinc/38/37/92/309383792.db2.gz FUJMRVVMZKBBTN-VAMGGRTRSA-N 2 0 334.479 3.285 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423068481 309384364 /nfs/dbraw/zinc/38/43/64/309384364.db2.gz JZODNJQENOBJCZ-FZMZJTMJSA-N 2 0 344.286 3.206 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092484 309385536 /nfs/dbraw/zinc/38/55/36/309385536.db2.gz CAMMFNMDHJCBNK-WMQCIHAUSA-N 2 0 329.532 3.332 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423094428 309385662 /nfs/dbraw/zinc/38/56/62/309385662.db2.gz BTTWSQZXBXAGBC-LOIHKTCZSA-N 2 0 326.843 3.067 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000423095639 309385791 /nfs/dbraw/zinc/38/57/91/309385791.db2.gz MTYXOPIVNSDCDG-QMTHXVAHSA-N 2 0 338.801 3.499 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423103203 309386048 /nfs/dbraw/zinc/38/60/48/309386048.db2.gz KYZHCBMFJDRLNB-MNOVXSKESA-N 2 0 329.307 3.402 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CCCC2)c(C)c1 ZINC000423128446 309387478 /nfs/dbraw/zinc/38/74/78/309387478.db2.gz CYBRZNZZSJNXKF-WSTZPKSXSA-N 2 0 330.516 3.457 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000423132294 309387721 /nfs/dbraw/zinc/38/77/21/309387721.db2.gz UHJJIRWFPQQTAX-RGIVZKHGSA-N 2 0 336.907 3.316 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423136139 309387836 /nfs/dbraw/zinc/38/78/36/309387836.db2.gz GWQHQJSLGNWZFT-PXNSSMCTSA-N 2 0 334.504 3.250 20 0 EGADRP CC1(C)[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423171270 309388987 /nfs/dbraw/zinc/38/89/87/309388987.db2.gz NVSDEVMTTWUJMI-FSGKZVOOSA-N 2 0 328.500 3.173 20 0 EGADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423169498 309389095 /nfs/dbraw/zinc/38/90/95/309389095.db2.gz WCEMXLYPCAWDEM-QWHCGFSZSA-N 2 0 331.435 3.278 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423182125 309389280 /nfs/dbraw/zinc/38/92/80/309389280.db2.gz PWCRJQSZVVCMKH-MRXNPFEDSA-N 2 0 330.303 3.329 20 0 EGADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)CCCS2 ZINC000423179327 309389284 /nfs/dbraw/zinc/38/92/84/309389284.db2.gz LYPPWJLIRUKHIH-INIZCTEOSA-N 2 0 339.936 3.152 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423212355 309390692 /nfs/dbraw/zinc/39/06/92/309390692.db2.gz IGHCEOFKWVQRCZ-YRGRVCCFSA-N 2 0 343.284 3.497 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423252353 309392322 /nfs/dbraw/zinc/39/23/22/309392322.db2.gz UAHNKKOMJJCXSZ-DZGCQCFKSA-N 2 0 332.879 3.484 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Br ZINC000423257562 309392596 /nfs/dbraw/zinc/39/25/96/309392596.db2.gz KAHYTEFRASRGBQ-QWHCGFSZSA-N 2 0 341.293 3.498 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423260139 309392855 /nfs/dbraw/zinc/39/28/55/309392855.db2.gz PPWOYXNZGKWSEQ-GBAJDQEWSA-N 3 0 341.543 3.266 20 0 EGADRP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCCCC1 ZINC000423264300 309393006 /nfs/dbraw/zinc/39/30/06/309393006.db2.gz PUTJQNWSHNKWOI-KJJMTIBFSA-N 2 0 341.543 3.394 20 0 EGADRP [NH3+]C[C@H](N[C@@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423283038 309393898 /nfs/dbraw/zinc/39/38/98/309393898.db2.gz VSBAAAMWIYJFSC-KGLIPLIRSA-N 2 0 329.669 3.417 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000423320280 309394956 /nfs/dbraw/zinc/39/49/56/309394956.db2.gz DKEYQBIZFXEKBY-HLIPFELVSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423318126 309395002 /nfs/dbraw/zinc/39/50/02/309395002.db2.gz CCWHGJKULXYPMX-LMMKCTJWSA-N 2 0 345.531 3.197 20 0 EGADRP COCCC[C@@H]([NH2+]CCCC[NH3+])c1ccc(Br)cc1 ZINC000423327933 309395343 /nfs/dbraw/zinc/39/53/43/309395343.db2.gz NJCPAXITDXWJOA-OAHLLOKOSA-N 2 0 329.282 3.245 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000423334472 309395752 /nfs/dbraw/zinc/39/57/52/309395752.db2.gz OZGDEYPMWOVRQC-GJYPPUQNSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423333220 309395848 /nfs/dbraw/zinc/39/58/48/309395848.db2.gz DXYUVZMRHUAYIT-YJBOKZPZSA-N 2 0 348.462 3.344 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccsc1 ZINC000423339762 309396030 /nfs/dbraw/zinc/39/60/30/309396030.db2.gz WWXZMFAPJFLRBL-HZPDHXFCSA-N 2 0 337.533 3.025 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC000423344270 309396194 /nfs/dbraw/zinc/39/61/94/309396194.db2.gz XMKCZMNYHCCEML-LRDDRELGSA-N 2 0 341.293 3.498 20 0 EGADRP CC(C)[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000423341936 309396216 /nfs/dbraw/zinc/39/62/16/309396216.db2.gz YGCYMXBMMDBXKB-VQIMIIECSA-N 2 0 331.504 3.193 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423345015 309396476 /nfs/dbraw/zinc/39/64/76/309396476.db2.gz NLUWGEQZVOGERC-HNNXBMFYSA-N 2 0 330.476 3.131 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423359928 309396939 /nfs/dbraw/zinc/39/69/39/309396939.db2.gz LEEPSPHGEYAXRG-XHSDSOJGSA-N 2 0 331.504 3.193 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000423367086 309397414 /nfs/dbraw/zinc/39/74/14/309397414.db2.gz YORNIVJEMVXPMW-VQIMIIECSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423371311 309397651 /nfs/dbraw/zinc/39/76/51/309397651.db2.gz FITLARXIYRVLSZ-OHLDOZIISA-N 2 0 341.543 3.407 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423388211 309398173 /nfs/dbraw/zinc/39/81/73/309398173.db2.gz IHRLGRQNPMFGRB-OHLDOZIISA-N 3 0 341.543 3.265 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC[NH2+]CC1 ZINC000423402727 309398799 /nfs/dbraw/zinc/39/87/99/309398799.db2.gz HCRVHCCBALTHDX-HNNXBMFYSA-N 2 0 346.471 3.417 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000423406300 309398939 /nfs/dbraw/zinc/39/89/39/309398939.db2.gz KLMKIMSEYDIWGX-MRXNPFEDSA-N 2 0 338.879 3.160 20 0 EGADRP COCC1(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000423409379 309399052 /nfs/dbraw/zinc/39/90/52/309399052.db2.gz PVIBCWUSEYZKAD-LSDHHAIUSA-N 2 0 347.528 3.394 20 0 EGADRP COC[C@]1(C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000423419961 309399644 /nfs/dbraw/zinc/39/96/44/309399644.db2.gz WTGBZEDUBTWGCT-RHSMWYFYSA-N 2 0 344.421 3.385 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423434999 309400326 /nfs/dbraw/zinc/40/03/26/309400326.db2.gz LCFBIPHTMLWOTJ-SCLBCKFNSA-N 2 0 340.471 3.384 20 0 EGADRP NC1(C[NH2+][C@@H]2CCCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423526478 309404937 /nfs/dbraw/zinc/40/49/37/309404937.db2.gz LHOCDOAJDJMKST-LJQANCHMSA-N 2 0 327.516 3.292 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423742900 309411368 /nfs/dbraw/zinc/41/13/68/309411368.db2.gz LSBUPTYDSBVXBN-RBUKOAKNSA-N 2 0 331.504 3.004 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000423788242 309412737 /nfs/dbraw/zinc/41/27/37/309412737.db2.gz DBBLSKQCZMJRPO-KRWDZBQOSA-N 2 0 343.515 3.435 20 0 EGADRP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000423791165 309412939 /nfs/dbraw/zinc/41/29/39/309412939.db2.gz YFDRPVBRQXDRFX-MRXNPFEDSA-N 2 0 329.488 3.120 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)CC1CCCCC1 ZINC000424126291 309430148 /nfs/dbraw/zinc/43/01/48/309430148.db2.gz BHBGISDRJUCCCF-RBUKOAKNSA-N 2 0 335.536 3.151 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000424269955 309435313 /nfs/dbraw/zinc/43/53/13/309435313.db2.gz AQKVQDBBZGVROG-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP COC(=O)[C@@H](CC[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000425426919 309479820 /nfs/dbraw/zinc/47/98/20/309479820.db2.gz XGHRPJHNJOYBFE-FQEVSTJZSA-N 2 0 346.515 3.387 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425904220 309494265 /nfs/dbraw/zinc/49/42/65/309494265.db2.gz XKSJAMQRQSKXJS-PKOBYXMFSA-N 2 0 348.535 3.132 20 0 EGADRP CCc1nc(C)c(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000428218538 309544990 /nfs/dbraw/zinc/54/49/90/309544990.db2.gz BVVBQZFVBDZXKW-HZPDHXFCSA-N 2 0 349.519 3.257 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000430928505 309621250 /nfs/dbraw/zinc/62/12/50/309621250.db2.gz UGJUHDIZRZFLGV-QLFBSQMISA-N 2 0 343.471 3.058 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000430937515 309621610 /nfs/dbraw/zinc/62/16/10/309621610.db2.gz CJHVRQGLOKPXPW-NEPJUHHUSA-N 2 0 343.393 3.092 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000431343538 309630532 /nfs/dbraw/zinc/63/05/32/309630532.db2.gz GAZOOFZIMSXXHA-SFHVURJKSA-N 2 0 332.488 3.070 20 0 EGADRP CN(Cc1cccc2ccccc21)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433121082 309679333 /nfs/dbraw/zinc/67/93/33/309679333.db2.gz MJUGYDZUWCVQPJ-UHFFFAOYSA-N 2 0 339.483 3.002 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000433126535 309679512 /nfs/dbraw/zinc/67/95/12/309679512.db2.gz OTPOIFJILHXTLG-HXUWFJFHSA-N 2 0 343.515 3.334 20 0 EGADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433155128 309680241 /nfs/dbraw/zinc/68/02/41/309680241.db2.gz WNWKOFDOWZRUGV-QGZVFWFLSA-N 2 0 343.515 3.017 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1C ZINC000446885378 309970187 /nfs/dbraw/zinc/97/01/87/309970187.db2.gz WCCJXLCZXUDTLG-MRXNPFEDSA-N 2 0 343.515 3.485 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)O[C@H]3C)CC2)c1 ZINC000449072697 310034762 /nfs/dbraw/zinc/03/47/62/310034762.db2.gz KWCMHXKQZBTNER-IRFCIJBXSA-N 2 0 345.531 3.053 20 0 EGADRP CSCC1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449099914 310037004 /nfs/dbraw/zinc/03/70/04/310037004.db2.gz AIIJDZOPNRAZEG-MRLCAUJQSA-N 2 0 328.566 3.387 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449163959 310041530 /nfs/dbraw/zinc/04/15/30/310041530.db2.gz XMBGKLCZZZZRIA-IAGOWNOFSA-N 2 0 342.483 3.454 20 0 EGADRP CC[C@@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000449480530 310065585 /nfs/dbraw/zinc/06/55/85/310065585.db2.gz YMSQFPUWEKISAY-FQEVSTJZSA-N 2 0 333.520 3.122 20 0 EGADRP FCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000449488021 310066099 /nfs/dbraw/zinc/06/60/99/310066099.db2.gz BUTGMAVSGKURBE-HSALFYBXSA-N 2 0 346.490 3.253 20 0 EGADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449510160 310068062 /nfs/dbraw/zinc/06/80/62/310068062.db2.gz KQWGGTRVFSBCCP-MOPGFXCFSA-N 2 0 336.520 3.495 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)n1-c1ccccc1 ZINC000449555480 310071477 /nfs/dbraw/zinc/07/14/77/310071477.db2.gz QJZMLKYAUHKXNU-UWVAXJGDSA-N 2 0 325.456 3.164 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000449744572 310083944 /nfs/dbraw/zinc/08/39/44/310083944.db2.gz IEMMSCKPRKGQIB-UHFFFAOYSA-N 2 0 340.515 3.049 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000449744846 310083973 /nfs/dbraw/zinc/08/39/73/310083973.db2.gz KGMGDZLCSITTAL-UHFFFAOYSA-N 2 0 342.531 3.290 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000449751904 310084446 /nfs/dbraw/zinc/08/44/46/310084446.db2.gz LSHSGHSGSQAYKH-UHFFFAOYSA-N 2 0 325.500 3.346 20 0 EGADRP CC(C)Oc1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000450253046 310111299 /nfs/dbraw/zinc/11/12/99/310111299.db2.gz LUKXFDDHUGMMCW-HZPDHXFCSA-N 2 0 325.456 3.483 20 0 EGADRP Fc1cc2nccc(NC[C@@H]3CN(C4CC4)CCO3)c2cc1Cl ZINC000450318661 310115028 /nfs/dbraw/zinc/11/50/28/310115028.db2.gz OERJLUZXSANUJJ-GFCCVEGCSA-N 2 0 335.810 3.302 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)c2c1 ZINC000450316906 310115035 /nfs/dbraw/zinc/11/50/35/310115035.db2.gz IRVANJUUWGZUQO-GOSISDBHSA-N 2 0 338.499 3.013 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450472782 310124847 /nfs/dbraw/zinc/12/48/47/310124847.db2.gz GCNGPIYLOXQCAI-GJZGRUSLSA-N 2 0 330.463 3.243 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000450604632 310132862 /nfs/dbraw/zinc/13/28/62/310132862.db2.gz XBSQPYWZTPGWIL-XRULBBBTSA-N 2 0 328.500 3.100 20 0 EGADRP C(=C\C[N@@H+]1CCSC[C@@H]1C1CC1)\C[NH+]1CCSC[C@H]1C1CC1 ZINC000451646437 310191203 /nfs/dbraw/zinc/19/12/03/310191203.db2.gz FLPIVRVIZYQCGN-OEHAVNEVSA-N 2 0 338.586 3.197 20 0 EGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCC1 ZINC000452730634 310239152 /nfs/dbraw/zinc/23/91/52/310239152.db2.gz MQMTVELKNOWSNH-UHFFFAOYSA-N 2 0 348.450 3.119 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000453108089 310258531 /nfs/dbraw/zinc/25/85/31/310258531.db2.gz MYBILUIDYKFEBH-GOSISDBHSA-N 2 0 338.499 3.429 20 0 EGADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C ZINC000453113614 310258913 /nfs/dbraw/zinc/25/89/13/310258913.db2.gz UOSKJGARSHEJTD-GOSISDBHSA-N 2 0 347.551 3.183 20 0 EGADRP C[C@@H](c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453390973 310274272 /nfs/dbraw/zinc/27/42/72/310274272.db2.gz XSTSANUXZZTRHO-FXAWDEMLSA-N 2 0 332.488 3.191 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455872152 310380510 /nfs/dbraw/zinc/38/05/10/310380510.db2.gz YPSIEALRUYBKOU-DNVCBOLYSA-N 2 0 346.519 3.477 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455915661 310382182 /nfs/dbraw/zinc/38/21/82/310382182.db2.gz KNQRSPPYIVTENS-BEFAXECRSA-N 2 0 344.503 3.041 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455933207 310382689 /nfs/dbraw/zinc/38/26/89/310382689.db2.gz QLTYFQNQVSQWAF-KBXCAEBGSA-N 2 0 332.492 3.087 20 0 EGADRP CC[N@H+](CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C(C)C ZINC000455948853 310383191 /nfs/dbraw/zinc/38/31/91/310383191.db2.gz YLDSOKREUOMYGJ-GOSISDBHSA-N 2 0 332.492 3.087 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000457036815 310433578 /nfs/dbraw/zinc/43/35/78/310433578.db2.gz BDPSFFMWRAPWBL-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOCC3CCCC3)CC2)C[C@@H](C)O1 ZINC000459319913 310543704 /nfs/dbraw/zinc/54/37/04/310543704.db2.gz FBTFBRPMFGFBHQ-QZTJIDSGSA-N 2 0 338.536 3.014 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000468559589 310690579 /nfs/dbraw/zinc/69/05/79/310690579.db2.gz JGMGRZUACVJYMB-PMACEKPBSA-N 2 0 330.516 3.456 20 0 EGADRP C[C@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000487205971 311015885 /nfs/dbraw/zinc/01/58/85/311015885.db2.gz WFGCMXSJWWVMQX-UWVAXJGDSA-N 2 0 331.504 3.059 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000488410699 311064248 /nfs/dbraw/zinc/06/42/48/311064248.db2.gz ZNWVOXAYZWJKGP-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000488414816 311064561 /nfs/dbraw/zinc/06/45/61/311064561.db2.gz FOOGOFJWXMEJHZ-MJGOQNOKSA-N 2 0 336.545 3.289 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491214284 311168517 /nfs/dbraw/zinc/16/85/17/311168517.db2.gz VWDLZEFPKPUJPG-VXKWHMMOSA-N 2 0 342.527 3.423 20 0 EGADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000493908899 311444376 /nfs/dbraw/zinc/44/43/76/311444376.db2.gz TUYXAVCUYDRRDI-LAUBAEHRSA-N 2 0 342.483 3.493 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000493908901 311444447 /nfs/dbraw/zinc/44/44/47/311444447.db2.gz TUYXAVCUYDRRDI-UWJYYQICSA-N 2 0 342.483 3.493 20 0 EGADRP C[C@H](C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000494660847 311500786 /nfs/dbraw/zinc/50/07/86/311500786.db2.gz ZDCIDPOYZBEKGR-FZKCQIBNSA-N 2 0 327.513 3.141 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000495666218 311593616 /nfs/dbraw/zinc/59/36/16/311593616.db2.gz AMASJRCHEZRXSS-SJORKVTESA-N 2 0 339.524 3.288 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1(C)C ZINC000507541178 312076847 /nfs/dbraw/zinc/07/68/47/312076847.db2.gz YIHLZSAJNQRMMU-LTFPLMDUSA-N 2 0 328.500 3.300 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000507954625 312085626 /nfs/dbraw/zinc/08/56/26/312085626.db2.gz WWUXRYSRIUSYBO-BVOGOJNSSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714073 312100564 /nfs/dbraw/zinc/10/05/64/312100564.db2.gz GWDNDPFSPRVICJ-NRDMVMEKSA-N 2 0 330.516 3.428 20 0 EGADRP Cc1cnn(C)c1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512046031 312174063 /nfs/dbraw/zinc/17/40/63/312174063.db2.gz PUMAUMPPLSVNCB-HKUYNNGSSA-N 2 0 326.488 3.119 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000512180171 312177993 /nfs/dbraw/zinc/17/79/93/312177993.db2.gz MUBBKMLMFHRLKZ-QZTJIDSGSA-N 2 0 346.515 3.325 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000512180173 312178193 /nfs/dbraw/zinc/17/81/93/312178193.db2.gz MUBBKMLMFHRLKZ-ROUUACIJSA-N 2 0 346.515 3.325 20 0 EGADRP CC[N@H+](CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190688 /nfs/dbraw/zinc/19/06/88/312190688.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 2 0 341.543 3.361 20 0 EGADRP Cc1n[nH]c(C)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513495476 312211771 /nfs/dbraw/zinc/21/17/71/312211771.db2.gz QFXSZZXFGXDXMK-BEFAXECRSA-N 2 0 326.488 3.417 20 0 EGADRP c1cnn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513677877 312215295 /nfs/dbraw/zinc/21/52/95/312215295.db2.gz DHEWRGHYAUEBGP-PCCBWWKXSA-N 2 0 338.499 3.164 20 0 EGADRP CC[C@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000515188010 312270144 /nfs/dbraw/zinc/27/01/44/312270144.db2.gz JQBRHBNZYUDWEZ-KGLIPLIRSA-N 2 0 343.393 3.335 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)N(C)C ZINC000515400262 312280843 /nfs/dbraw/zinc/28/08/43/312280843.db2.gz GRVITYMNATVVHD-NSHDSACASA-N 2 0 331.273 3.449 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)c2nc(C)c[nH]2)cc1)C1CC1 ZINC000515856340 312301054 /nfs/dbraw/zinc/30/10/54/312301054.db2.gz SJSHMMQZXXXRBD-UHFFFAOYSA-N 2 0 340.471 3.368 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000516016531 312305991 /nfs/dbraw/zinc/30/59/91/312305991.db2.gz GYSMQIUETVSPNO-QAPCUYQASA-N 2 0 338.455 3.127 20 0 EGADRP Cc1ccncc1C[NH+](C)CCCC[N@@H+](C)Cc1cnccc1C ZINC000516523718 312327127 /nfs/dbraw/zinc/32/71/27/312327127.db2.gz PFBOSYUWZUKUTR-UHFFFAOYSA-N 2 0 326.488 3.437 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000516550633 312328925 /nfs/dbraw/zinc/32/89/25/312328925.db2.gz DTKWRAYBSYBRQZ-TYNCELHUSA-N 2 0 343.393 3.153 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2nc(C3CC3)nn2C)CC1 ZINC000516565658 312329968 /nfs/dbraw/zinc/32/99/68/312329968.db2.gz HLRBRXGFPROLLT-MRXNPFEDSA-N 2 0 345.535 3.169 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(CC[NH2+]C3CC3)n2)c1 ZINC000517168078 312366402 /nfs/dbraw/zinc/36/64/02/312366402.db2.gz KURJSYDZVAVZAK-UHFFFAOYSA-N 2 0 326.444 3.017 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000528351430 313071175 /nfs/dbraw/zinc/07/11/75/313071175.db2.gz OFFOFAKLZQIMEZ-HXUWFJFHSA-N 2 0 334.479 3.191 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528355911 313072644 /nfs/dbraw/zinc/07/26/44/313072644.db2.gz QEYSKACQYFSCDI-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP COc1cccc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)OC)c1 ZINC000529639105 313376743 /nfs/dbraw/zinc/37/67/43/313376743.db2.gz NIHBKQYAPSWYSZ-HXUWFJFHSA-N 2 0 341.455 3.036 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)ccc2n1 ZINC000530248299 313505143 /nfs/dbraw/zinc/50/51/43/313505143.db2.gz IINILHIZLCKIKP-FQEVSTJZSA-N 2 0 339.483 3.134 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534971310 314009278 /nfs/dbraw/zinc/00/92/78/314009278.db2.gz CGWQEQUVIRCNFY-LJQANCHMSA-N 2 0 335.923 3.333 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536499445 314117965 /nfs/dbraw/zinc/11/79/65/314117965.db2.gz ZDHGRSNACFNOCX-KXBFYZLASA-N 2 0 335.923 3.333 20 0 EGADRP CC[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000536709312 314141019 /nfs/dbraw/zinc/14/10/19/314141019.db2.gz AQIXAZJUJQMGMM-CTNGQTDRSA-N 2 0 329.532 3.281 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1)CC(C)C ZINC000536887283 314152125 /nfs/dbraw/zinc/15/21/25/314152125.db2.gz WZEAPAOWPCUMLQ-KRWDZBQOSA-N 2 0 339.568 3.370 20 0 EGADRP COC(C)(C)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000537725046 314205235 /nfs/dbraw/zinc/20/52/35/314205235.db2.gz MBXDTBDHBVOPIM-UHFFFAOYSA-N 2 0 333.520 3.074 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC(=O)Nc2ccccn2)CC1 ZINC000538615739 314259192 /nfs/dbraw/zinc/25/91/92/314259192.db2.gz UTZRDBVXEZHQOF-AEFFLSMTSA-N 2 0 344.503 3.043 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000542674321 314568273 /nfs/dbraw/zinc/56/82/73/314568273.db2.gz QFEMHGMVZAZQPZ-HNAYVOBHSA-N 2 0 335.923 3.333 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000543597579 314639429 /nfs/dbraw/zinc/63/94/29/314639429.db2.gz FFKQBHCUQQGNJH-QGZVFWFLSA-N 2 0 343.515 3.282 20 0 EGADRP CC[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000544372055 314690253 /nfs/dbraw/zinc/69/02/53/314690253.db2.gz VJTYXSBBBFSUFR-IEBWSBKVSA-N 2 0 345.531 3.284 20 0 EGADRP CCC(CC)(C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC ZINC000548486953 315015941 /nfs/dbraw/zinc/01/59/41/315015941.db2.gz KUYLZRQYJZXSNN-IEBWSBKVSA-N 2 0 346.515 3.466 20 0 EGADRP c1ccc2c(c1)cccc2C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000548509051 315019696 /nfs/dbraw/zinc/01/96/96/315019696.db2.gz GCLGARRAPUJRTP-UHFFFAOYSA-N 2 0 337.511 3.443 20 0 EGADRP C(C1CC1)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](CC4CC4)C3)COC2)C1 ZINC000550048546 315114385 /nfs/dbraw/zinc/11/43/85/315114385.db2.gz GFZNWIMJPQYKHS-BGYRXZFFSA-N 2 0 332.532 3.247 20 0 EGADRP CC(C[NH+]1CCCO[C@H](C(C)C)C1)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000550189000 315119788 /nfs/dbraw/zinc/11/97/88/315119788.db2.gz PJVBVIPWDDILDF-PMACEKPBSA-N 2 0 340.552 3.116 20 0 EGADRP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552065123 315194827 /nfs/dbraw/zinc/19/48/27/315194827.db2.gz FYSSUZQQWZUPFU-VAMGGRTRSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Oc1ccncc1 ZINC000554795427 315349119 /nfs/dbraw/zinc/34/91/19/315349119.db2.gz DTQGQMRVKOGCFH-KDOFPFPSSA-N 2 0 337.423 3.086 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)C(C)C)CC1 ZINC000555341890 315380109 /nfs/dbraw/zinc/38/01/09/315380109.db2.gz QZGCFQWWLMOWIL-GOSISDBHSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000562959467 315929945 /nfs/dbraw/zinc/92/99/45/315929945.db2.gz SFLLDWYCMDANFB-OXQOHEQNSA-N 2 0 328.456 3.474 20 0 EGADRP COc1sc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000564319818 316135401 /nfs/dbraw/zinc/13/54/01/316135401.db2.gz NRENLJIGVLGFKR-LLVKDONJSA-N 2 0 347.322 3.339 20 0 EGADRP Cc1cnc2cc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccn12 ZINC000564352931 316141822 /nfs/dbraw/zinc/14/18/22/316141822.db2.gz YODBJOZPDYTVDQ-WBVHZDCISA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000564698893 316188828 /nfs/dbraw/zinc/18/88/28/316188828.db2.gz UVEIJGJXASKYOG-GOSISDBHSA-N 2 0 345.531 3.278 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000564822827 316212636 /nfs/dbraw/zinc/21/26/36/316212636.db2.gz RRZSCRJDDCPPHN-BDTNDASRSA-N 2 0 341.543 3.266 20 0 EGADRP OCC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000564825604 316213586 /nfs/dbraw/zinc/21/35/86/316213586.db2.gz VTMOGEMCYIHFOG-ZJOUEHCJSA-N 2 0 344.499 3.163 20 0 EGADRP C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)OC1CCCCCC1 ZINC000565689887 316355803 /nfs/dbraw/zinc/35/58/03/316355803.db2.gz KJHRWMUATZBHHP-UHFFFAOYSA-N 2 0 338.536 3.160 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000565770158 316367904 /nfs/dbraw/zinc/36/79/04/316367904.db2.gz HHFSVZRIUWYHJP-OCCSQVGLSA-N 2 0 343.393 3.106 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000566109555 316417829 /nfs/dbraw/zinc/41/78/29/316417829.db2.gz AGVSJZOGMXUIDR-NRFANRHFSA-N 2 0 348.531 3.042 20 0 EGADRP Cc1ccc(NC(=O)CC[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc1 ZINC000569474852 316920655 /nfs/dbraw/zinc/92/06/55/316920655.db2.gz SSESYZIYDXBQCV-QZTJIDSGSA-N 2 0 346.519 3.066 20 0 EGADRP CCc1nc2ccccc2n1Cc1noc(CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000570123575 317011073 /nfs/dbraw/zinc/01/10/73/317011073.db2.gz SXIJGPIYWYQFCZ-KBPBESRZSA-N 2 0 339.443 3.403 20 0 EGADRP CC(C)[NH+](CCC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C(C)C ZINC000570564122 317074017 /nfs/dbraw/zinc/07/40/17/317074017.db2.gz HUUAMIPJVKPJHA-UHFFFAOYSA-N 2 0 341.446 3.392 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC1CCCC1 ZINC000571632491 317225954 /nfs/dbraw/zinc/22/59/54/317225954.db2.gz LAOKCHNAUDVMFF-DSKINZAPSA-N 2 0 344.499 3.021 20 0 EGADRP CC(C)Cn1cc(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000571648518 317228207 /nfs/dbraw/zinc/22/82/07/317228207.db2.gz TWNGSZVFYIZITL-HXUWFJFHSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000572257783 317313563 /nfs/dbraw/zinc/31/35/63/317313563.db2.gz VEHRHUKHHIUFMA-ZPQVWODMSA-N 2 0 332.488 3.171 20 0 EGADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171384558 323232611 /nfs/dbraw/zinc/23/26/11/323232611.db2.gz NRPLBZCTKCFIRR-QZTJIDSGSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000178009147 323349681 /nfs/dbraw/zinc/34/96/81/323349681.db2.gz ASTCOJCONVHXSV-WBMJQRKESA-N 2 0 343.284 3.451 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379680650 324241536 /nfs/dbraw/zinc/24/15/36/324241536.db2.gz NJLUXDYFLMEBQJ-FUHWJXTLSA-N 2 0 333.520 3.037 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382766624 324254177 /nfs/dbraw/zinc/25/41/77/324254177.db2.gz VUMUYMBLXPALAL-IEBWSBKVSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386483753 324267871 /nfs/dbraw/zinc/26/78/71/324267871.db2.gz IUAOAMYNMGXKGU-WMQCIHAUSA-N 2 0 336.479 3.490 20 0 EGADRP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)CCC1 ZINC000387371626 324270740 /nfs/dbraw/zinc/27/07/40/324270740.db2.gz IHJIAVSCDSDTEL-VQTJNVASSA-N 2 0 327.516 3.258 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000575880987 324500883 /nfs/dbraw/zinc/50/08/83/324500883.db2.gz CRIBGYFERVZFJW-MJGOQNOKSA-N 2 0 341.430 3.438 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000577620260 324838213 /nfs/dbraw/zinc/83/82/13/324838213.db2.gz WSXKHJFHSZTSHF-JTQLQIEISA-N 2 0 338.805 3.273 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000578880226 325032513 /nfs/dbraw/zinc/03/25/13/325032513.db2.gz CQDVKCHVAIARRU-OAQYLSRUSA-N 2 0 326.484 3.207 20 0 EGADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3COc4ccccc43)CC2)cc1 ZINC000579758887 325155746 /nfs/dbraw/zinc/15/57/46/325155746.db2.gz PHHUENLNSSMFMF-LJQANCHMSA-N 2 0 336.479 3.459 20 0 EGADRP CC(C)[C@H](NC1CC[NH+](C2CC2)CC1)c1nc(-c2ccncc2)no1 ZINC000580046245 325195342 /nfs/dbraw/zinc/19/53/42/325195342.db2.gz MBRVRJQQLWQVAC-KRWDZBQOSA-N 2 0 341.459 3.045 20 0 EGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000580414194 325247275 /nfs/dbraw/zinc/24/72/75/325247275.db2.gz HHMNDOPJMVGCST-CRAIPNDOSA-N 2 0 335.455 3.288 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000580976062 325316205 /nfs/dbraw/zinc/31/62/05/325316205.db2.gz SHTOCPXCAFKTAL-WOZUAGRISA-N 2 0 328.500 3.446 20 0 EGADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581412487 325358756 /nfs/dbraw/zinc/35/87/56/325358756.db2.gz QZBZUDNMSKPGMG-WBVHZDCISA-N 2 0 347.507 3.060 20 0 EGADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583316439 325513594 /nfs/dbraw/zinc/51/35/94/325513594.db2.gz DVBVSPFTNZCCCS-COPLHBTASA-N 2 0 332.414 3.101 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000346691867 457114643 /nfs/dbraw/zinc/11/46/43/457114643.db2.gz XTVWWZNVDRAMRN-UHFFFAOYSA-N 2 0 341.293 3.409 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238062118 455249703 /nfs/dbraw/zinc/24/97/03/455249703.db2.gz BVIKVBJIOMVMAZ-OAQYLSRUSA-N 2 0 349.478 3.326 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000264633005 455253141 /nfs/dbraw/zinc/25/31/41/455253141.db2.gz MJCGVPPVARLGTA-SFHVURJKSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000245546884 455327136 /nfs/dbraw/zinc/32/71/36/455327136.db2.gz VWQUOTAREMFTCB-RXVVDRJESA-N 2 0 338.499 3.111 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158919396 455337261 /nfs/dbraw/zinc/33/72/61/455337261.db2.gz NYSGKNFAKJMURS-ZHALLVOQSA-N 2 0 329.488 3.047 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158919529 455337638 /nfs/dbraw/zinc/33/76/38/455337638.db2.gz NYSGKNFAKJMURS-YQVWRLOYSA-N 2 0 329.488 3.047 20 0 EGADRP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1)O[C@H](C)C2 ZINC000017319502 453633228 /nfs/dbraw/zinc/63/32/28/453633228.db2.gz VECJPXXNADTRTR-OAHLLOKOSA-N 2 0 340.467 3.370 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081568987 453888375 /nfs/dbraw/zinc/88/83/75/453888375.db2.gz XIEPYXRZLZAOOA-OAHLLOKOSA-N 2 0 337.895 3.332 20 0 EGADRP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523085 454064281 /nfs/dbraw/zinc/06/42/81/454064281.db2.gz ABTJBGRFPOYXBU-KRWDZBQOSA-N 2 0 343.515 3.018 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056523582 454064382 /nfs/dbraw/zinc/06/43/82/454064382.db2.gz JOYWOCRUMACLJH-QGZVFWFLSA-N 2 0 331.504 3.294 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000056999171 454095157 /nfs/dbraw/zinc/09/51/57/454095157.db2.gz FPRSROGEFJSBAE-IXDOHACOSA-N 2 0 349.519 3.218 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000246034433 455415958 /nfs/dbraw/zinc/41/59/58/455415958.db2.gz WJPVEGQXCUASKP-BBRMVZONSA-N 2 0 340.309 3.181 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627780 454170263 /nfs/dbraw/zinc/17/02/63/454170263.db2.gz SFDDCBIWOOHROP-RYRKJORJSA-N 2 0 327.472 3.322 20 0 EGADRP CC(C)N(CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000131561424 454265556 /nfs/dbraw/zinc/26/55/56/454265556.db2.gz FCEAQYMLVNDTEC-HOTGVXAUSA-N 2 0 327.513 3.094 20 0 EGADRP CC(C)N(CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000131561232 454265600 /nfs/dbraw/zinc/26/56/00/454265600.db2.gz FCEAQYMLVNDTEC-CVEARBPZSA-N 2 0 327.513 3.094 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000090450560 454307423 /nfs/dbraw/zinc/30/74/23/454307423.db2.gz BRBCMIHMXRDZET-RISCZKNCSA-N 2 0 332.275 3.087 20 0 EGADRP Cc1cc(N2CCN(Cc3cccnc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000120767901 454343775 /nfs/dbraw/zinc/34/37/75/454343775.db2.gz URMUVCDSWOPKSU-UHFFFAOYSA-N 2 0 336.414 3.400 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000090936867 454352064 /nfs/dbraw/zinc/35/20/64/454352064.db2.gz YYWLEHYFLZSRDH-ZDUSSCGKSA-N 2 0 335.398 3.151 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2)C[C@H](C)O1 ZINC000062252989 454371749 /nfs/dbraw/zinc/37/17/49/454371749.db2.gz QUJRKOYGWYPHEN-CALCHBBNSA-N 2 0 342.487 3.056 20 0 EGADRP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000079303754 454395440 /nfs/dbraw/zinc/39/54/40/454395440.db2.gz XBTIUVFGVWBVSS-ZWKOTPCHSA-N 2 0 345.531 3.408 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285037 454423069 /nfs/dbraw/zinc/42/30/69/454423069.db2.gz LWQZMISOCSWNGQ-HXUWFJFHSA-N 2 0 333.520 3.010 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000121443332 454435874 /nfs/dbraw/zinc/43/58/74/454435874.db2.gz JJFRXIAJNKOEDG-LZQZEXGQSA-N 2 0 341.430 3.367 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000121645924 454461608 /nfs/dbraw/zinc/46/16/08/454461608.db2.gz MYYRUACHGMNEAQ-NQIIRXRSSA-N 3 0 329.532 3.492 20 0 EGADRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(C)ccc1OC ZINC000091733217 454462931 /nfs/dbraw/zinc/46/29/31/454462931.db2.gz HLZNJROKRNZSGD-IBGZPJMESA-N 2 0 333.520 3.070 20 0 EGADRP CCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000074186475 454540929 /nfs/dbraw/zinc/54/09/29/454540929.db2.gz OXFPQQMXCOWGLB-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000134564031 454560524 /nfs/dbraw/zinc/56/05/24/454560524.db2.gz VTFGHLJZDUHNRW-LAUBAEHRSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1CCC[C@@H](C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000092565000 454587193 /nfs/dbraw/zinc/58/71/93/454587193.db2.gz ZZNKTBHZPIYLLZ-SBHAEUEKSA-N 2 0 329.532 3.391 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000092720569 454617172 /nfs/dbraw/zinc/61/71/72/454617172.db2.gz ZUNOEFLVSLMTDV-OAHLLOKOSA-N 2 0 345.531 3.325 20 0 EGADRP Nc1ccc(-c2cccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000634994850 460644301 /nfs/dbraw/zinc/64/43/01/460644301.db2.gz OGLVIDYLWLAARE-SFHVURJKSA-N 2 0 336.483 3.152 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000075007433 454673685 /nfs/dbraw/zinc/67/36/85/454673685.db2.gz QYHQXTJMPFYKHH-UHFFFAOYSA-N 2 0 338.467 3.027 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000106432690 454694667 /nfs/dbraw/zinc/69/46/67/454694667.db2.gz WALHRJXKPBDOBU-QFBILLFUSA-N 2 0 331.504 3.443 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000106458552 454696031 /nfs/dbraw/zinc/69/60/31/454696031.db2.gz JFZVZGFECZYVRV-YLJYHZDGSA-N 2 0 345.531 3.121 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)[C@H](C)C1 ZINC000152659684 454708193 /nfs/dbraw/zinc/70/81/93/454708193.db2.gz NMINDMZBJUNVNR-YLJYHZDGSA-N 2 0 346.515 3.063 20 0 EGADRP c1ccc2c(c1)SCC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635006006 460649491 /nfs/dbraw/zinc/64/94/91/460649491.db2.gz AHWLXWYQUOLEED-MRXNPFEDSA-N 2 0 326.469 3.140 20 0 EGADRP CC1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000136084752 454720124 /nfs/dbraw/zinc/72/01/24/454720124.db2.gz ABXNTMDKKSZAKU-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP CCOc1ccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000635009537 460651853 /nfs/dbraw/zinc/65/18/53/460651853.db2.gz NXIAXVRXHSILHB-OAHLLOKOSA-N 2 0 326.444 3.063 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000124816677 454773269 /nfs/dbraw/zinc/77/32/69/454773269.db2.gz DIKYXQXVOAKZGW-YWZLYKJASA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125071612 454795027 /nfs/dbraw/zinc/79/50/27/454795027.db2.gz DIUKIYVJNLTPLJ-RXVVDRJESA-N 3 0 329.532 3.492 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000138595480 454795407 /nfs/dbraw/zinc/79/54/07/454795407.db2.gz RCFHHHRQFNTBFO-QGZVFWFLSA-N 2 0 338.455 3.286 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000162844415 454804776 /nfs/dbraw/zinc/80/47/76/454804776.db2.gz MUCRCGFLBBIZLU-UEXGIBASSA-N 2 0 330.516 3.487 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713461 454823952 /nfs/dbraw/zinc/82/39/52/454823952.db2.gz CISTVZYITFGOPD-PKOBYXMFSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246291642 455465225 /nfs/dbraw/zinc/46/52/25/455465225.db2.gz NIQUNMAKDQWDRP-IYWMVGAKSA-N 2 0 349.563 3.397 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163543956 454854286 /nfs/dbraw/zinc/85/42/86/454854286.db2.gz OWWZMSHIKNDFBB-QGZVFWFLSA-N 2 0 345.531 3.272 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC000111068765 454857008 /nfs/dbraw/zinc/85/70/08/454857008.db2.gz OTAPZLCQKDOQTC-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000163878927 454867870 /nfs/dbraw/zinc/86/78/70/454867870.db2.gz MEIRALOIQQZGNT-IAGOWNOFSA-N 2 0 339.524 3.286 20 0 EGADRP COCCCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177508037 454872121 /nfs/dbraw/zinc/87/21/21/454872121.db2.gz PPVYGHMVZWINBM-HDICACEKSA-N 2 0 326.525 3.014 20 0 EGADRP CN(CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCSC1 ZINC000154310310 454883856 /nfs/dbraw/zinc/88/38/56/454883856.db2.gz RGOYVNABSLWMNX-SFHVURJKSA-N 2 0 347.528 3.048 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165292363 454898027 /nfs/dbraw/zinc/89/80/27/454898027.db2.gz WTRORUDDXDWVNW-UYAOXDASSA-N 2 0 326.488 3.025 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C[NH+]1CCCC1 ZINC000165277023 454898319 /nfs/dbraw/zinc/89/83/19/454898319.db2.gz YQACAZCSYRMGCJ-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000154467527 454899922 /nfs/dbraw/zinc/89/99/22/454899922.db2.gz YNRKKXXEOPMYMD-HXUWFJFHSA-N 2 0 345.531 3.216 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000166645442 454914259 /nfs/dbraw/zinc/91/42/59/454914259.db2.gz IPDOIRPJKMCILY-UWJYYQICSA-N 2 0 328.500 3.463 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000113441293 454926416 /nfs/dbraw/zinc/92/64/16/454926416.db2.gz RLJCEYIBUQVXCR-GFCCVEGCSA-N 2 0 331.287 3.348 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000151111607 454938734 /nfs/dbraw/zinc/93/87/34/454938734.db2.gz DWINREUUQLBBGP-GJZGRUSLSA-N 2 0 336.476 3.095 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000154920173 454942704 /nfs/dbraw/zinc/94/27/04/454942704.db2.gz GWOQSQDTOZAUKP-QWHCGFSZSA-N 2 0 330.303 3.280 20 0 EGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000178221924 454943480 /nfs/dbraw/zinc/94/34/80/454943480.db2.gz METQZSHULBJIEQ-CQSZACIVSA-N 2 0 332.517 3.353 20 0 EGADRP CC(C)CC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000170643499 454947025 /nfs/dbraw/zinc/94/70/25/454947025.db2.gz MTYWIZODLSKCMO-UHFFFAOYSA-N 2 0 349.544 3.152 20 0 EGADRP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000127247976 454948430 /nfs/dbraw/zinc/94/84/30/454948430.db2.gz JICYLRVDTICQHF-RBUKOAKNSA-N 2 0 349.563 3.317 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)ccc1OC(F)F ZINC000178412464 454953603 /nfs/dbraw/zinc/95/36/03/454953603.db2.gz AJFIRQRVRFPEGL-CYBMUJFWSA-N 2 0 328.403 3.433 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000178634508 454965204 /nfs/dbraw/zinc/96/52/04/454965204.db2.gz DNEDJWNYTVZRPV-FQEVSTJZSA-N 2 0 326.488 3.373 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H](C)C1 ZINC000151313660 454967424 /nfs/dbraw/zinc/96/74/24/454967424.db2.gz IBJZYJLXFTWBGV-XLIONFOSSA-N 2 0 343.515 3.437 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370752 454992966 /nfs/dbraw/zinc/99/29/66/454992966.db2.gz ZPCKBFDEMPFGFK-NHYWBVRUSA-N 2 0 329.257 3.061 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000155629333 455024430 /nfs/dbraw/zinc/02/44/30/455024430.db2.gz NSGAPCQKYLYUEW-HOTGVXAUSA-N 2 0 335.561 3.304 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000155673530 455030073 /nfs/dbraw/zinc/03/00/73/455030073.db2.gz WIEIZPIQIVOPBK-APWZRJJASA-N 2 0 331.504 3.052 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000155679953 455030584 /nfs/dbraw/zinc/03/05/84/455030584.db2.gz LWUYPYGPVQBWLE-LPHOPBHVSA-N 2 0 331.504 3.052 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000151842404 455038487 /nfs/dbraw/zinc/03/84/87/455038487.db2.gz NZUHUPNXUSHHHW-LJQANCHMSA-N 2 0 336.907 3.401 20 0 EGADRP C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151856280 455039897 /nfs/dbraw/zinc/03/98/97/455039897.db2.gz YZAGSEKHAGRYGB-QZTJIDSGSA-N 2 0 333.520 3.152 20 0 EGADRP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccccc1 ZINC000128285408 455042908 /nfs/dbraw/zinc/04/29/08/455042908.db2.gz DXFYYZKWHWSTDF-SFHVURJKSA-N 2 0 345.531 3.450 20 0 EGADRP c1ccc(CN2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000635024473 460660215 /nfs/dbraw/zinc/66/02/15/460660215.db2.gz YIRPZUKFLNNCFH-UHFFFAOYSA-N 2 0 335.495 3.087 20 0 EGADRP CCn1c(CN2CC[C@H](Oc3ccncc3)C2)nc2cc(F)ccc21 ZINC000156338044 455106478 /nfs/dbraw/zinc/10/64/78/455106478.db2.gz SOGBAJALSFKATQ-INIZCTEOSA-N 2 0 340.402 3.244 20 0 EGADRP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000152403213 455113389 /nfs/dbraw/zinc/11/33/89/455113389.db2.gz RQPZZWAGXFAPKM-GBESFXJTSA-N 2 0 344.547 3.002 20 0 EGADRP c1ccc(-c2noc(CC[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000119043014 455121720 /nfs/dbraw/zinc/12/17/20/455121720.db2.gz CNVAMSWBWHCYPS-SFHVURJKSA-N 2 0 340.471 3.229 20 0 EGADRP CCCn1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000180181458 455145470 /nfs/dbraw/zinc/14/54/70/455145470.db2.gz OAYMMZYKZYEAIL-QZTJIDSGSA-N 2 0 348.535 3.004 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000600985376 460664804 /nfs/dbraw/zinc/66/48/04/460664804.db2.gz AKAPAQQMMMCWOQ-HXUWFJFHSA-N 2 0 343.515 3.019 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000180439158 455169748 /nfs/dbraw/zinc/16/97/48/455169748.db2.gz DJMCIEKOBXAGAR-UYAOXDASSA-N 2 0 349.588 3.276 20 0 EGADRP Cc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180497156 455183062 /nfs/dbraw/zinc/18/30/62/455183062.db2.gz GFTKKTSQOLHBDP-SIKLNZKXSA-N 2 0 337.511 3.310 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157325020 455184310 /nfs/dbraw/zinc/18/43/10/455184310.db2.gz JNJBNJGWYMMBKT-GOSISDBHSA-N 2 0 325.456 3.391 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000237528437 455192120 /nfs/dbraw/zinc/19/21/20/455192120.db2.gz SVDOEJLVXMIFKS-APWZRJJASA-N 2 0 341.499 3.247 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCCCCC[NH3+] ZINC000237608730 455198509 /nfs/dbraw/zinc/19/85/09/455198509.db2.gz JIVCDNNVVZROFD-UHFFFAOYSA-N 2 0 349.544 3.392 20 0 EGADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158808875 455330847 /nfs/dbraw/zinc/33/08/47/455330847.db2.gz YDBAQBMSQNDNBK-XLIONFOSSA-N 2 0 332.488 3.270 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCCCC2 ZINC000181660953 455369337 /nfs/dbraw/zinc/36/93/37/455369337.db2.gz XCHYBNROZNGARB-OALUTQOASA-N 2 0 338.536 3.205 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000182263089 455475896 /nfs/dbraw/zinc/47/58/96/455475896.db2.gz YXCRNNRIECZAAF-RBBKRZOGSA-N 2 0 336.479 3.339 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246440826 455490883 /nfs/dbraw/zinc/49/08/83/455490883.db2.gz NISPYSYNDAISMM-GHTZIAJQSA-N 2 0 338.499 3.405 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000246491577 455500360 /nfs/dbraw/zinc/50/03/60/455500360.db2.gz RZWVKTAPOMZFEF-SJORKVTESA-N 2 0 332.488 3.476 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000267235149 455521392 /nfs/dbraw/zinc/52/13/92/455521392.db2.gz ALLOMWZTEOVJHO-VQTJNVASSA-N 2 0 343.515 3.275 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000185209547 455521479 /nfs/dbraw/zinc/52/14/79/455521479.db2.gz MCSRHANEZVJMAB-XDNAFOTISA-N 2 0 326.525 3.058 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000267235151 455521638 /nfs/dbraw/zinc/52/16/38/455521638.db2.gz ALLOMWZTEOVJHO-WOJBJXKFSA-N 2 0 343.515 3.275 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000247040685 455549745 /nfs/dbraw/zinc/54/97/45/455549745.db2.gz MTPLQJNJZKPQSF-QINHECLXSA-N 2 0 333.495 3.065 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000247136488 455564988 /nfs/dbraw/zinc/56/49/88/455564988.db2.gz VYQPNRQNOZBJID-LPHOPBHVSA-N 3 0 335.561 3.280 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC000247150026 455565998 /nfs/dbraw/zinc/56/59/98/455565998.db2.gz SVCTUTLUUFGRPF-ZWOKBUDYSA-N 2 0 336.495 3.483 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000247265322 455580798 /nfs/dbraw/zinc/58/07/98/455580798.db2.gz ZMXNAUVZWJZFEP-PWIZWCRZSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H](NCC(=O)N(C)CC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682354 455595258 /nfs/dbraw/zinc/59/52/58/455595258.db2.gz KHWQMJZYJJBVEZ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000271317070 455595692 /nfs/dbraw/zinc/59/56/92/455595692.db2.gz CVHYNXGUEROCIH-ROUUACIJSA-N 2 0 345.531 3.122 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708310 455602161 /nfs/dbraw/zinc/60/21/61/455602161.db2.gz SEVKRNZLZHXBJN-KSMMKXTCSA-N 2 0 338.442 3.241 20 0 EGADRP C[C@H]([NH2+]CCC(=O)OCc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185716777 455605304 /nfs/dbraw/zinc/60/53/04/455605304.db2.gz XLDUBQFHESVQAE-HKUYNNGSSA-N 2 0 344.499 3.363 20 0 EGADRP COc1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185761096 455616735 /nfs/dbraw/zinc/61/67/35/455616735.db2.gz ZLKZPYWAIWBSHR-IRXDYDNUSA-N 2 0 332.488 3.317 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000185890264 455645081 /nfs/dbraw/zinc/64/50/81/455645081.db2.gz UHCSDKJJKFSKGE-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2OC)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247888404 455652545 /nfs/dbraw/zinc/65/25/45/455652545.db2.gz DPYPVYHFPYZKQV-YSIASYRMSA-N 2 0 345.531 3.152 20 0 EGADRP CCCC[C@@H](COC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284306787 455666000 /nfs/dbraw/zinc/66/60/00/455666000.db2.gz JDEBDCCLAVDCBB-SFHVURJKSA-N 2 0 334.504 3.454 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000248001058 455669370 /nfs/dbraw/zinc/66/93/70/455669370.db2.gz KJQMWVCPKKZYDY-KCITZHQASA-N 2 0 333.495 3.421 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000248023667 455671298 /nfs/dbraw/zinc/67/12/98/455671298.db2.gz OKESQXOVOZQCIA-XMTFNYHQSA-N 2 0 334.504 3.276 20 0 EGADRP COc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c2ccccc12 ZINC000268403954 455673344 /nfs/dbraw/zinc/67/33/44/455673344.db2.gz DTXQVTSHJZOKMC-UHFFFAOYSA-N 2 0 342.483 3.173 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(OCC[NH+](C)C)cc1 ZINC000271532269 455674993 /nfs/dbraw/zinc/67/49/93/455674993.db2.gz RIKNXMLFGGEEIU-RDTXWAMCSA-N 2 0 328.460 3.078 20 0 EGADRP COc1ccccc1CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000248065352 455677893 /nfs/dbraw/zinc/67/78/93/455677893.db2.gz ZJCXEOVLTJJFOR-FXAWDEMLSA-N 2 0 339.483 3.133 20 0 EGADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000284410991 455681524 /nfs/dbraw/zinc/68/15/24/455681524.db2.gz QFKHFPJGDPKKCM-MSOLQXFVSA-N 2 0 333.520 3.152 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192787289 455693962 /nfs/dbraw/zinc/69/39/62/455693962.db2.gz VIQBUZKRUPLYOF-SFHVURJKSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc3cccnc32)CCCO1 ZINC000277905653 455703704 /nfs/dbraw/zinc/70/37/04/455703704.db2.gz PEOGWZDYAZMFNJ-HNNXBMFYSA-N 2 0 347.890 3.479 20 0 EGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1c[nH]c2ccccc12 ZINC000192842153 455705030 /nfs/dbraw/zinc/70/50/30/455705030.db2.gz VXZJSNDKAIITST-UHFFFAOYSA-N 2 0 342.531 3.406 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)cc1 ZINC000248401963 455713163 /nfs/dbraw/zinc/71/31/63/455713163.db2.gz MNGBZGVUMXZYQD-PZAQWVNCSA-N 2 0 326.484 3.197 20 0 EGADRP CC(C)OC(=O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248400775 455713716 /nfs/dbraw/zinc/71/37/16/455713716.db2.gz QPLOJYLEWHKEQZ-YRWFTTLQSA-N 2 0 332.488 3.074 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000248827350 455732959 /nfs/dbraw/zinc/73/29/59/455732959.db2.gz MCSRHANEZVJMAB-XWTMOSNGSA-N 2 0 326.525 3.058 20 0 EGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268950318 455741751 /nfs/dbraw/zinc/74/17/51/455741751.db2.gz CETOHNVMRGRDGO-AWEZNQCLSA-N 2 0 345.512 3.226 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000268959943 455745865 /nfs/dbraw/zinc/74/58/65/455745865.db2.gz XCGGGLDTUBOVGH-GOEBONIOSA-N 2 0 333.501 3.184 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616995207 460692658 /nfs/dbraw/zinc/69/26/58/460692658.db2.gz NAPUBBMUUQOJMD-IEBWSBKVSA-N 2 0 345.531 3.306 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000271803756 455766177 /nfs/dbraw/zinc/76/61/77/455766177.db2.gz XYPNJALUBQQFIR-NJDAHSKKSA-N 2 0 328.500 3.495 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCOCC2)c1 ZINC000269037463 455771218 /nfs/dbraw/zinc/77/12/18/455771218.db2.gz FTWCZBJHCIBWAE-UHOSZYNNSA-N 2 0 331.504 3.047 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000249843030 455778320 /nfs/dbraw/zinc/77/83/20/455778320.db2.gz NWYCINIIEJPPDI-BHDDXSALSA-N 2 0 341.543 3.209 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000269072753 455782127 /nfs/dbraw/zinc/78/21/27/455782127.db2.gz XJWXERMYRJTVAD-NRFANRHFSA-N 2 0 338.495 3.407 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000269086277 455786745 /nfs/dbraw/zinc/78/67/45/455786745.db2.gz PMZHFUMIGGBHKC-IRXDYDNUSA-N 2 0 338.492 3.101 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@H+](C)CCCO)CC1 ZINC000272186038 455870079 /nfs/dbraw/zinc/87/00/79/455870079.db2.gz JVUUUKVRLWTGNX-UHFFFAOYSA-N 2 0 341.499 3.389 20 0 EGADRP c1cn(CC[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000285611726 455882065 /nfs/dbraw/zinc/88/20/65/455882065.db2.gz KHJKHKQEQDDCSA-HBMCJLEFSA-N 2 0 338.499 3.164 20 0 EGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000272241038 455888975 /nfs/dbraw/zinc/88/89/75/455888975.db2.gz XKYAEQHRYMKJKC-KRWDZBQOSA-N 2 0 343.515 3.085 20 0 EGADRP Fc1cccc([C@H]2C[NH2+]CCN2Cc2cn3cc(Cl)ccc3n2)c1 ZINC000261620051 455914756 /nfs/dbraw/zinc/91/47/56/455914756.db2.gz CWSJWFUFSHZTID-QGZVFWFLSA-N 2 0 344.821 3.273 20 0 EGADRP C[C@]1(C[NH3+])CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261636751 455918961 /nfs/dbraw/zinc/91/89/61/455918961.db2.gz DGAKCIVPEAEJTB-HXUWFJFHSA-N 2 0 339.439 3.088 20 0 EGADRP Cc1ccc(F)cc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000272376323 455930320 /nfs/dbraw/zinc/93/03/20/455930320.db2.gz HEHDZNUARVKLOV-UHFFFAOYSA-N 2 0 333.495 3.125 20 0 EGADRP C[N@H+](C[C@H]1CCC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000261827378 455954983 /nfs/dbraw/zinc/95/49/83/455954983.db2.gz ITTSSIQXRYBTSF-AWEZNQCLSA-N 2 0 337.305 3.412 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CC[C@@H]3CC[NH2+]C3)c2C1 ZINC000261853616 455959020 /nfs/dbraw/zinc/95/90/20/455959020.db2.gz OYIHRINDEBMJOH-MRXNPFEDSA-N 2 0 329.488 3.377 20 0 EGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000286023360 455961570 /nfs/dbraw/zinc/96/15/70/455961570.db2.gz JWDJRVIYJAKJTM-DYVFJYSZSA-N 2 0 333.476 3.035 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000272476440 455963104 /nfs/dbraw/zinc/96/31/04/455963104.db2.gz AKEQNYXWOIWWOJ-KJJMTIBFSA-N 2 0 336.479 3.220 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])c2ccccc2C)c1 ZINC000296540747 455967819 /nfs/dbraw/zinc/96/78/19/455967819.db2.gz TVVMRNMICGGYPU-LJQANCHMSA-N 2 0 325.456 3.475 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188060011 455988659 /nfs/dbraw/zinc/98/86/59/455988659.db2.gz RLNPIGWIGFRMQA-CQSZACIVSA-N 2 0 327.428 3.365 20 0 EGADRP CO[C@@]1(C)CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000280571406 456002449 /nfs/dbraw/zinc/00/24/49/456002449.db2.gz LTXWKJPTCKEYPH-NRFANRHFSA-N 2 0 345.531 3.218 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2cccnc2)C2CCC2)C[C@H](C)O1 ZINC000280800620 456054413 /nfs/dbraw/zinc/05/44/13/456054413.db2.gz IKASDNJIYGDXRZ-FUHIMQAGSA-N 2 0 331.504 3.402 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)CC2(C)C)cc1)C(C)C ZINC000270943393 456071988 /nfs/dbraw/zinc/07/19/88/456071988.db2.gz SVKKPBQMEDXTMP-UHFFFAOYSA-N 2 0 331.504 3.083 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000297013950 456092275 /nfs/dbraw/zinc/09/22/75/456092275.db2.gz MRYRFHNGURWVBA-IHWFROFDSA-N 2 0 343.515 3.274 20 0 EGADRP c1n[nH]cc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000289866385 456161135 /nfs/dbraw/zinc/16/11/35/456161135.db2.gz RGCTYYXZSQJPLB-PCCBWWKXSA-N 2 0 338.499 3.233 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236655157 456164304 /nfs/dbraw/zinc/16/43/04/456164304.db2.gz IGRUWDITJPYPEF-ZWKOTPCHSA-N 2 0 345.531 3.169 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000236687083 456169997 /nfs/dbraw/zinc/16/99/97/456169997.db2.gz PPNUZZUELYOKIC-QGZVFWFLSA-N 2 0 345.531 3.442 20 0 EGADRP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000297325202 456186677 /nfs/dbraw/zinc/18/66/77/456186677.db2.gz CKVKCIDOOUQOPE-UHFFFAOYSA-N 2 0 342.531 3.256 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CCCC1)c1ccccc1Cl ZINC000236873836 456194805 /nfs/dbraw/zinc/19/48/05/456194805.db2.gz YCJCJSPDKKUQAI-MRXNPFEDSA-N 2 0 337.895 3.111 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(O)cc1 ZINC000236874818 456195627 /nfs/dbraw/zinc/19/56/27/456195627.db2.gz KLCNDMSRGCNZKP-UHFFFAOYSA-N 2 0 328.456 3.403 20 0 EGADRP [NH3+]C1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCCCC1 ZINC000333343500 456203702 /nfs/dbraw/zinc/20/37/02/456203702.db2.gz YPXUDZAQERWCBC-UHFFFAOYSA-N 2 0 327.472 3.070 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)CC1([NH3+])CCC1)C1CCCCC1 ZINC000237151262 456239383 /nfs/dbraw/zinc/23/93/83/456239383.db2.gz YMYDOZXJPUOXLP-UHFFFAOYSA-N 2 0 343.515 3.339 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3n2C)[C@@H]1SC ZINC000297609221 456262382 /nfs/dbraw/zinc/26/23/82/456262382.db2.gz KNASSGQHAVWEGX-KYJSFNMBSA-N 2 0 333.501 3.005 20 0 EGADRP COc1ncccc1CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290204597 456266502 /nfs/dbraw/zinc/26/65/02/456266502.db2.gz PJZIBBCKSXHDRD-XLIONFOSSA-N 2 0 339.483 3.275 20 0 EGADRP CCOc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc(Cl)c1O ZINC000297649505 456270316 /nfs/dbraw/zinc/27/03/16/456270316.db2.gz IWPJDLMAXLWYEW-ZDUSSCGKSA-N 2 0 326.868 3.218 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000275670662 456282536 /nfs/dbraw/zinc/28/25/36/456282536.db2.gz CLEOQOSUVFVTGS-LJQANCHMSA-N 2 0 341.503 3.039 20 0 EGADRP COc1cncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000290299080 456284065 /nfs/dbraw/zinc/28/40/65/456284065.db2.gz NKKHNXUULPWMEY-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C[C@H](C)O1 ZINC000352808797 456327173 /nfs/dbraw/zinc/32/71/73/456327173.db2.gz ZJXPOIGHVZPUOP-IRXDYDNUSA-N 2 0 341.499 3.489 20 0 EGADRP CN1CC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000340235873 456330262 /nfs/dbraw/zinc/33/02/62/456330262.db2.gz NQYCYRCTJMFGRL-PZJWPPBQSA-N 2 0 347.466 3.192 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000347728082 456332484 /nfs/dbraw/zinc/33/24/84/456332484.db2.gz XPKZMQUYAZINEO-IBGZPJMESA-N 2 0 348.535 3.097 20 0 EGADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352838209 456353445 /nfs/dbraw/zinc/35/34/45/456353445.db2.gz JIXWQGIQYMHIKN-LEWJYISDSA-N 2 0 330.516 3.382 20 0 EGADRP OCC[NH+]1CCC(C[NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000347789936 456370247 /nfs/dbraw/zinc/37/02/47/456370247.db2.gz FBUSVTIBWFXNOV-UHFFFAOYSA-N 2 0 330.516 3.254 20 0 EGADRP c1[nH]c2nccnc2c1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000290581808 456372646 /nfs/dbraw/zinc/37/26/46/456372646.db2.gz ZOICIQLGWHELFG-INIZCTEOSA-N 2 0 327.476 3.046 20 0 EGADRP CN1CC[C@H]([NH2+]CCOc2ncccc2F)C[C@@H]1c1ccccc1 ZINC000340308377 456377234 /nfs/dbraw/zinc/37/72/34/456377234.db2.gz ZUPWNZLDYKWTOD-FUHWJXTLSA-N 2 0 329.419 3.025 20 0 EGADRP COc1cccc2c1ncc(C)c2NCC(C)(C)N1CCOCC1 ZINC000302722439 456383786 /nfs/dbraw/zinc/38/37/86/456383786.db2.gz PXYNBEQBPZOLFS-UHFFFAOYSA-N 2 0 329.444 3.075 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCCc2cnccc2C)CC1 ZINC000347862869 456411877 /nfs/dbraw/zinc/41/18/77/456411877.db2.gz WVTCSNXGKXQEBD-UHFFFAOYSA-N 2 0 333.520 3.145 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCCCC1 ZINC000348100175 456478671 /nfs/dbraw/zinc/47/86/71/456478671.db2.gz FKDIERCERSCVDE-SJORKVTESA-N 2 0 327.476 3.040 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1(C)C ZINC000282333621 456480213 /nfs/dbraw/zinc/48/02/13/456480213.db2.gz OHANFHMHJWTSKT-FQEVSTJZSA-N 2 0 345.506 3.377 20 0 EGADRP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000340490691 456489516 /nfs/dbraw/zinc/48/95/16/456489516.db2.gz OSYODIIBJOIFOG-ZWKOTPCHSA-N 2 0 345.531 3.455 20 0 EGADRP COCc1cc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000298560856 456490212 /nfs/dbraw/zinc/49/02/12/456490212.db2.gz VYISWKVHQLPRIL-UHFFFAOYSA-N 2 0 343.471 3.343 20 0 EGADRP C[C@@H](C(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000298613067 456500466 /nfs/dbraw/zinc/50/04/66/456500466.db2.gz OJFQIIMFZZLPFW-DFGXFYAUSA-N 2 0 340.471 3.219 20 0 EGADRP CCCn1c(C[NH2+]CC2(SC)CC[NH+](C)CC2)nc2ccccc21 ZINC000353192613 456550129 /nfs/dbraw/zinc/55/01/29/456550129.db2.gz MUZOMEFCXDBGFF-UHFFFAOYSA-N 2 0 346.544 3.363 20 0 EGADRP Cc1noc(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)n1 ZINC000282556645 456550810 /nfs/dbraw/zinc/55/08/10/456550810.db2.gz TWQUCSJJGBARJI-GOSISDBHSA-N 2 0 342.487 3.201 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657899147 462311372 /nfs/dbraw/zinc/31/13/72/462311372.db2.gz AMOBLGLYDYNUID-ZIFCJYIRSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000291187940 456559343 /nfs/dbraw/zinc/55/93/43/456559343.db2.gz LEFWKLJOYSKUEW-ZDUSSCGKSA-N 2 0 349.475 3.057 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291228958 456572283 /nfs/dbraw/zinc/57/22/83/456572283.db2.gz MEFOBTWKFREARJ-QGZVFWFLSA-N 2 0 344.503 3.133 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000311119325 456588198 /nfs/dbraw/zinc/58/81/98/456588198.db2.gz XBOAWEFKUQGHHN-GFCCVEGCSA-N 2 0 329.307 3.429 20 0 EGADRP CCC[NH+]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000343395136 456590013 /nfs/dbraw/zinc/59/00/13/456590013.db2.gz GKIXZIPUEPFDEP-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291342411 456613000 /nfs/dbraw/zinc/61/30/00/456613000.db2.gz WYGXILLJMUVYLV-FUHWJXTLSA-N 2 0 344.503 3.131 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000282850329 456644586 /nfs/dbraw/zinc/64/45/86/456644586.db2.gz BEZRUNLKPSCRAV-UNMCSNQZSA-N 2 0 343.559 3.356 20 0 EGADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000338000336 456647465 /nfs/dbraw/zinc/64/74/65/456647465.db2.gz QOLWLVPNGONYIJ-CVEARBPZSA-N 2 0 340.458 3.112 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000343482408 456650311 /nfs/dbraw/zinc/65/03/11/456650311.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 2 0 329.532 3.491 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651049 /nfs/dbraw/zinc/65/10/49/456651049.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 2 0 329.532 3.491 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000277031925 456660087 /nfs/dbraw/zinc/66/00/87/456660087.db2.gz BEYBBVAOGAYGMO-MRXNPFEDSA-N 2 0 348.878 3.349 20 0 EGADRP Fc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)o2)cc1 ZINC000324977356 456676110 /nfs/dbraw/zinc/67/61/10/456676110.db2.gz PZCDIUODHAUHPF-KRWDZBQOSA-N 2 0 329.419 3.445 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C(C)(C)n1cncn1 ZINC000353407503 456680221 /nfs/dbraw/zinc/68/02/21/456680221.db2.gz BRJZCVXEPKKBBP-AEFFLSMTSA-N 2 0 333.524 3.036 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000343571410 456713975 /nfs/dbraw/zinc/71/39/75/456713975.db2.gz UQYNBZYZRFTNPO-UHFFFAOYSA-N 2 0 326.488 3.426 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCNc2cccc(C)n2)cc1 ZINC000338229574 456719280 /nfs/dbraw/zinc/71/92/80/456719280.db2.gz UGFKVVGFZSUVLX-UHFFFAOYSA-N 2 0 340.471 3.074 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000343580794 456722017 /nfs/dbraw/zinc/72/20/17/456722017.db2.gz NEVLSKQGLZSIPI-SFHVURJKSA-N 2 0 345.531 3.087 20 0 EGADRP CN(CCC[N@H+](C)CCc1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000353543289 456746532 /nfs/dbraw/zinc/74/65/32/456746532.db2.gz MZPPNBQOMQSMCU-UHFFFAOYSA-N 2 0 344.455 3.047 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000283371393 456767744 /nfs/dbraw/zinc/76/77/44/456767744.db2.gz SIPXWUMIHQQZPN-LJQANCHMSA-N 2 0 333.495 3.031 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CS1 ZINC000277306293 456770884 /nfs/dbraw/zinc/77/08/84/456770884.db2.gz SFUUWLDVKQWZQY-AABGKKOBSA-N 2 0 348.556 3.263 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC[NH+](C)CC1 ZINC000353608185 456798846 /nfs/dbraw/zinc/79/88/46/456798846.db2.gz HRQWVXZGJGTYMI-ZDUSSCGKSA-N 2 0 339.574 3.500 20 0 EGADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000353633074 456816833 /nfs/dbraw/zinc/81/68/33/456816833.db2.gz VVPPRDZOMMRCMK-CQSZACIVSA-N 2 0 338.517 3.182 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000338434430 456817121 /nfs/dbraw/zinc/81/71/21/456817121.db2.gz BMFRTFAFXQCDEW-QZTJIDSGSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292076976 456848962 /nfs/dbraw/zinc/84/89/62/456848962.db2.gz LSNTXTGPKJCPIU-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000345156447 456946267 /nfs/dbraw/zinc/94/62/67/456946267.db2.gz KCNPIHMVXMCRAQ-CALCHBBNSA-N 2 0 331.504 3.016 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166395 456973072 /nfs/dbraw/zinc/97/30/72/456973072.db2.gz OPUNVHFFHFIELS-GOEBONIOSA-N 2 0 338.293 3.465 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)cc2c1C ZINC000349571653 456990162 /nfs/dbraw/zinc/99/01/62/456990162.db2.gz WPGCVQVGLDIRPC-UHFFFAOYSA-N 2 0 329.488 3.110 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000349661145 457009233 /nfs/dbraw/zinc/00/92/33/457009233.db2.gz FDCGELSQGJIZPD-VYDXJSESSA-N 2 0 339.549 3.282 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000339261013 457025629 /nfs/dbraw/zinc/02/56/29/457025629.db2.gz QIWDRLGVERZVBP-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000346286630 457029530 /nfs/dbraw/zinc/02/95/30/457029530.db2.gz RFEVYMNDUZIJBC-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP CN(c1ccccc1C[NH+]1CC2(CCC2(F)F)C1)C1CC[NH+](C)CC1 ZINC000356535248 457042151 /nfs/dbraw/zinc/04/21/51/457042151.db2.gz XFDAWWNDQGGPCY-UHFFFAOYSA-N 2 0 349.469 3.448 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ncc(C)s2)[C@H](C)C1 ZINC000349834205 457070423 /nfs/dbraw/zinc/07/04/23/457070423.db2.gz MSJBCKHMGRGJMK-UXLLHSPISA-N 2 0 339.549 3.282 20 0 EGADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nn1 ZINC000342035576 457071082 /nfs/dbraw/zinc/07/10/82/457071082.db2.gz BLIAUJRQQYXBGB-SFHVURJKSA-N 2 0 341.503 3.320 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000354148099 457094870 /nfs/dbraw/zinc/09/48/70/457094870.db2.gz HHQCSZMTXWWMOA-HXUWFJFHSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OC)c2OC(F)F)CC1 ZINC000346678802 457108296 /nfs/dbraw/zinc/10/82/96/457108296.db2.gz LXGQQHPUFOSGLE-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000354178416 457113425 /nfs/dbraw/zinc/11/34/25/457113425.db2.gz WOVNBTYRXPKLDO-GOSISDBHSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000346701183 457118900 /nfs/dbraw/zinc/11/89/00/457118900.db2.gz RGIATWGGPZPMLF-PXNSSMCTSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H](CC1CCOCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000349961175 457122567 /nfs/dbraw/zinc/12/25/67/457122567.db2.gz BHGPHMULVRGLPF-GOSISDBHSA-N 2 0 338.536 3.016 20 0 EGADRP CC[NH+]1CCC(N(C)Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000349966175 457124309 /nfs/dbraw/zinc/12/43/09/457124309.db2.gz QBEDLBMNNWRHAM-UHFFFAOYSA-N 2 0 335.521 3.139 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000356759975 457154412 /nfs/dbraw/zinc/15/44/12/457154412.db2.gz NKBDGQMBERCGRJ-INIZCTEOSA-N 2 0 342.487 3.057 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000356759002 457154493 /nfs/dbraw/zinc/15/44/93/457154493.db2.gz NCJMVGBJTYWQMB-MJGOQNOKSA-N 2 0 345.531 3.276 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000354287316 457174825 /nfs/dbraw/zinc/17/48/25/457174825.db2.gz ZQYGHWYYFDYCQG-QUCCMNQESA-N 2 0 343.515 3.030 20 0 EGADRP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000354390091 457194703 /nfs/dbraw/zinc/19/47/03/457194703.db2.gz PDFNZQCEOBMVGG-YLJYHZDGSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000347039002 457197714 /nfs/dbraw/zinc/19/77/14/457197714.db2.gz ZLMCYOBMPFEYOV-ROUUACIJSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347042761 457199974 /nfs/dbraw/zinc/19/99/74/457199974.db2.gz MBUOKMSSJUTCHC-WMZOPIPTSA-N 2 0 325.456 3.220 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000339674776 457205390 /nfs/dbraw/zinc/20/53/90/457205390.db2.gz AYTVHKNISHGUHR-KRWDZBQOSA-N 2 0 335.561 3.477 20 0 EGADRP c1coc([C@@H]2CC[NH+](CCOCC[N@@H+]3CC[C@@H](c4ccco4)C3)C2)c1 ZINC000363314414 457289965 /nfs/dbraw/zinc/28/99/65/457289965.db2.gz XEQGCIKVNFAPOJ-QZTJIDSGSA-N 2 0 344.455 3.168 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000357044451 457295375 /nfs/dbraw/zinc/29/53/75/457295375.db2.gz LUIXCFUIFNBPEE-YZLZLFLDSA-N 2 0 345.531 3.229 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357045742 457295604 /nfs/dbraw/zinc/29/56/04/457295604.db2.gz IBXAZRIPIQAFJX-LJQANCHMSA-N 2 0 338.499 3.311 20 0 EGADRP Fc1cccc(-c2cnc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000357077655 457310135 /nfs/dbraw/zinc/31/01/35/457310135.db2.gz KUTUCQQWTIPGNW-MRXNPFEDSA-N 2 0 329.419 3.302 20 0 EGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c[nH+]cn2c1 ZINC000339888877 457313139 /nfs/dbraw/zinc/31/31/39/457313139.db2.gz LHWKAVACAHYJGZ-UHFFFAOYSA-N 2 0 348.450 3.250 20 0 EGADRP Fc1ccccc1-c1cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)o1 ZINC000357087735 457315073 /nfs/dbraw/zinc/31/50/73/457315073.db2.gz WQVYTEPPAPBFKQ-HNNXBMFYSA-N 2 0 329.419 3.302 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCc3ccncc3)CC2)C[C@H](C)O1 ZINC000347302840 457340732 /nfs/dbraw/zinc/34/07/32/457340732.db2.gz PHRQHAWDRSSCLG-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(F)c2cccnc12 ZINC000355218653 457348932 /nfs/dbraw/zinc/34/89/32/457348932.db2.gz XZXYYFQEFKVYNV-ATZDWAIDSA-N 2 0 343.446 3.057 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000357314271 457440294 /nfs/dbraw/zinc/44/02/94/457440294.db2.gz YROSYUXVWHQHGO-JTDSTZFVSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H](CCSc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363754537 457443959 /nfs/dbraw/zinc/44/39/59/457443959.db2.gz VTZNBBHURMPMHP-RTBURBONSA-N 2 0 347.572 3.269 20 0 EGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000360943517 457451620 /nfs/dbraw/zinc/45/16/20/457451620.db2.gz VDLFURYFYAPGLQ-KRWDZBQOSA-N 2 0 342.462 3.084 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342700599 457464364 /nfs/dbraw/zinc/46/43/64/457464364.db2.gz XPNGPYPPPRXIBP-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)cc2)CC1 ZINC000342737652 457488179 /nfs/dbraw/zinc/48/81/79/457488179.db2.gz NJUVALYIVZJASR-VQIMIIECSA-N 2 0 329.488 3.245 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCC[NH+]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000356165346 457500434 /nfs/dbraw/zinc/50/04/34/457500434.db2.gz HRYWAEHPWWOHEL-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000399751872 457509666 /nfs/dbraw/zinc/50/96/66/457509666.db2.gz ARAJWDZGRGLAKZ-KSEOMHKRSA-N 2 0 335.495 3.433 20 0 EGADRP Cn1cncc1CCC[N@H+](C)Cc1csc(Br)c1 ZINC000404218607 457538693 /nfs/dbraw/zinc/53/86/93/457538693.db2.gz JASORYLPRMZCSL-UHFFFAOYSA-N 2 0 328.279 3.309 20 0 EGADRP C[NH+](C)CCOC1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000356223398 457546605 /nfs/dbraw/zinc/54/66/05/457546605.db2.gz OALRBWPUYVCJOT-UHFFFAOYSA-N 2 0 333.863 3.435 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1)C(C)C ZINC000361080438 457569872 /nfs/dbraw/zinc/56/98/72/457569872.db2.gz NYOIEWDXEGXXPG-VQTJNVASSA-N 2 0 343.515 3.035 20 0 EGADRP CN(C)Cc1cnc(C[NH2+]CCc2nc(C(C)(C)C)cs2)s1 ZINC000352750040 457581052 /nfs/dbraw/zinc/58/10/52/457581052.db2.gz OSMBSUJQFDMQNS-UHFFFAOYSA-N 2 0 338.546 3.291 20 0 EGADRP c1cn([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000425516019 457582998 /nfs/dbraw/zinc/58/29/98/457582998.db2.gz RTLXIPJQPCIFHI-FQEVSTJZSA-N 2 0 339.487 3.101 20 0 EGADRP C[C@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1cncc(F)c1)c1cncc(F)c1 ZINC000361119427 457594148 /nfs/dbraw/zinc/59/41/48/457594148.db2.gz ISFRXCPLJSGQFS-NVFZZLLCSA-N 2 0 332.398 3.312 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]CCc2ccc(F)cc2Cl)CCCO1 ZINC000356393085 457602056 /nfs/dbraw/zinc/60/20/56/457602056.db2.gz KTUGQORZLCKGIR-CQSZACIVSA-N 2 0 328.859 3.112 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000361165909 457624242 /nfs/dbraw/zinc/62/42/42/457624242.db2.gz ZIRASDYHYFXMKE-UZLBHIALSA-N 2 0 339.483 3.078 20 0 EGADRP CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000357635175 457634231 /nfs/dbraw/zinc/63/42/31/457634231.db2.gz JCGVJPOQYYUQEN-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC(C)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357662914 457646105 /nfs/dbraw/zinc/64/61/05/457646105.db2.gz IKLMXPGQPNJSTM-FQEVSTJZSA-N 2 0 343.515 3.019 20 0 EGADRP Fc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c(F)c1 ZINC000370670447 457695949 /nfs/dbraw/zinc/69/59/49/457695949.db2.gz BRICGTJVKLDZKC-IRXDYDNUSA-N 2 0 335.442 3.150 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H](C)C1 ZINC000370678583 457699034 /nfs/dbraw/zinc/69/90/34/457699034.db2.gz COUXISZHEXOBDB-KHYOSLBOSA-N 2 0 337.458 3.111 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc3ccccc3s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370712077 457704827 /nfs/dbraw/zinc/70/48/27/457704827.db2.gz ZHBYSFVPVYJDOZ-LPHOPBHVSA-N 2 0 343.540 3.359 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000358005457 457738065 /nfs/dbraw/zinc/73/80/65/457738065.db2.gz NASJRHDBYKFBLH-MAUKXSAKSA-N 2 0 332.488 3.446 20 0 EGADRP C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433142211 457764634 /nfs/dbraw/zinc/76/46/34/457764634.db2.gz SIAWGBLIBNUWCG-KRWDZBQOSA-N 2 0 345.531 3.062 20 0 EGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000443639857 457794473 /nfs/dbraw/zinc/79/44/73/457794473.db2.gz LVGCASROZPRULR-TZIWHRDSSA-N 2 0 333.564 3.469 20 0 EGADRP COCC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000366500639 457831534 /nfs/dbraw/zinc/83/15/34/457831534.db2.gz MWEZTBAHRDDKFK-MJGOQNOKSA-N 2 0 338.536 3.062 20 0 EGADRP FC(F)n1c2ccccc2nc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358174483 457835918 /nfs/dbraw/zinc/83/59/18/457835918.db2.gz XBBWWLLQXBAUGB-KGLIPLIRSA-N 2 0 334.414 3.190 20 0 EGADRP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000411297869 457853047 /nfs/dbraw/zinc/85/30/47/457853047.db2.gz IILBTONDEOGRKC-PMACEKPBSA-N 2 0 332.463 3.258 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303398 457855858 /nfs/dbraw/zinc/85/58/58/457855858.db2.gz OJMUYDPMJWAJIP-AVRDEDQJSA-N 2 0 337.511 3.298 20 0 EGADRP CC(C)CSCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371340803 457874034 /nfs/dbraw/zinc/87/40/34/457874034.db2.gz IMXSNCJFIMKDGR-UHFFFAOYSA-N 2 0 341.609 3.256 20 0 EGADRP OC1(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000411413867 457880559 /nfs/dbraw/zinc/88/05/59/457880559.db2.gz KZUBDRNJXYUTHB-UHFFFAOYSA-N 2 0 328.500 3.280 20 0 EGADRP C[C@@H](CCNc1cc(N2CCCC2)ncn1)[N@H+](C)Cc1ccccc1 ZINC000433771264 457881897 /nfs/dbraw/zinc/88/18/97/457881897.db2.gz OMQYTYVUQVGWGW-KRWDZBQOSA-N 2 0 339.487 3.399 20 0 EGADRP CN1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248941 457886173 /nfs/dbraw/zinc/88/61/73/457886173.db2.gz HUZRHYIDZBGLJY-JKSUJKDBSA-N 2 0 329.271 3.101 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc2C1 ZINC000366699429 457887960 /nfs/dbraw/zinc/88/79/60/457887960.db2.gz VNLXIBZMDUGZQL-HXUWFJFHSA-N 2 0 343.515 3.332 20 0 EGADRP Cc1ccc2c(c1)CC[N@@H+](C[C@H](O)Cn1cnc3cc(C)c(C)cc31)C2 ZINC000361844127 457902704 /nfs/dbraw/zinc/90/27/04/457902704.db2.gz SSTCXYGWCSWSBQ-FQEVSTJZSA-N 2 0 349.478 3.381 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000411620230 457929435 /nfs/dbraw/zinc/92/94/35/457929435.db2.gz LXUXDAWSOXXIME-XLIONFOSSA-N 2 0 344.499 3.304 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427124384 457947223 /nfs/dbraw/zinc/94/72/23/457947223.db2.gz QYYNEKXCUBQTSF-PKOBYXMFSA-N 2 0 332.451 3.209 20 0 EGADRP c1c[nH]c([C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C2CCCCC2)n1 ZINC000367615120 457968185 /nfs/dbraw/zinc/96/81/85/457968185.db2.gz JXIUXBQPJQZQAU-SFHVURJKSA-N 2 0 327.476 3.396 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)cc1)C1CC1 ZINC000358385837 457969211 /nfs/dbraw/zinc/96/92/11/457969211.db2.gz PAOBPHDLVOKUCM-MRXNPFEDSA-N 2 0 341.499 3.051 20 0 EGADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000358445241 458007685 /nfs/dbraw/zinc/00/76/85/458007685.db2.gz GVNUCFPKQFHYJO-LBPRGKRZSA-N 2 0 344.286 3.206 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368566811 458045679 /nfs/dbraw/zinc/04/56/79/458045679.db2.gz JZZBQJSFORKDAE-SFNKJDCFSA-N 2 0 332.488 3.074 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCCOc1ccccc1)C1CCOCC1 ZINC000362244869 458049331 /nfs/dbraw/zinc/04/93/31/458049331.db2.gz FZTNDGKSTKDUAP-IBGZPJMESA-N 2 0 346.515 3.421 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000434813940 458054070 /nfs/dbraw/zinc/05/40/70/458054070.db2.gz JRSGCLAWPISLGG-UHFFFAOYSA-N 2 0 335.467 3.126 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000358614047 458109214 /nfs/dbraw/zinc/10/92/14/458109214.db2.gz ZYLKAQDEPKJIEZ-OXQOHEQNSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000435373054 458125041 /nfs/dbraw/zinc/12/50/41/458125041.db2.gz LQIMJMPIDUSTSG-AEFFLSMTSA-N 2 0 340.515 3.398 20 0 EGADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000435376697 458126208 /nfs/dbraw/zinc/12/62/08/458126208.db2.gz TWJNXHSXCFMSJS-INIZCTEOSA-N 2 0 340.467 3.412 20 0 EGADRP CCCN(Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000435379176 458127949 /nfs/dbraw/zinc/12/79/49/458127949.db2.gz LIGLGMMTKQEOOQ-AWEZNQCLSA-N 2 0 346.393 3.210 20 0 EGADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000435391665 458135559 /nfs/dbraw/zinc/13/55/59/458135559.db2.gz SZZMVTAZZJUKOD-SFHVURJKSA-N 2 0 339.483 3.319 20 0 EGADRP CCN(Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000435611524 458172034 /nfs/dbraw/zinc/17/20/34/458172034.db2.gz BHQRLIMPIXUXKU-KRWDZBQOSA-N 2 0 338.499 3.325 20 0 EGADRP C[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065981 458181573 /nfs/dbraw/zinc/18/15/73/458181573.db2.gz UVPXFTXQPBQDPU-NOLJZWGESA-N 2 0 344.377 3.099 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1)CC(C)C ZINC000358754043 458194547 /nfs/dbraw/zinc/19/45/47/458194547.db2.gz SRTSROYUALSKOY-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP C[NH2+]CCCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000435869920 458216660 /nfs/dbraw/zinc/21/66/60/458216660.db2.gz DDKKLAHAFKBZCM-AWEZNQCLSA-N 2 0 330.259 3.006 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376203020 458233223 /nfs/dbraw/zinc/23/32/23/458233223.db2.gz ILOKWUQPUWNAAO-AVRDEDQJSA-N 2 0 337.511 3.298 20 0 EGADRP Cc1nn2c(C[NH2+]CC3CC[NH+](C4CC4)CC3)c(C(C)C)nc2s1 ZINC000446890527 458242715 /nfs/dbraw/zinc/24/27/15/458242715.db2.gz LZODVVPEEAGJDS-UHFFFAOYSA-N 2 0 347.532 3.187 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362589307 458286388 /nfs/dbraw/zinc/28/63/88/458286388.db2.gz NCYJGHAHJCGBRW-HIFRSBDPSA-N 2 0 329.366 3.010 20 0 EGADRP Cc1cc(C)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)n1 ZINC000436485870 458311920 /nfs/dbraw/zinc/31/19/20/458311920.db2.gz AXKUJUDREQIMOD-UHFFFAOYSA-N 2 0 330.476 3.489 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000447589401 458318024 /nfs/dbraw/zinc/31/80/24/458318024.db2.gz XUVNEESTTSIYJL-AOIWGVFYSA-N 2 0 326.488 3.371 20 0 EGADRP C[C@H](c1ccccc1Cl)[N@H+](CCC(=O)N1CCN(C)CC1)C1CC1 ZINC000429669650 458356363 /nfs/dbraw/zinc/35/63/63/458356363.db2.gz GXMNXHRPMGMYPD-OAHLLOKOSA-N 2 0 349.906 3.030 20 0 EGADRP CO[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000459426913 458367747 /nfs/dbraw/zinc/36/77/47/458367747.db2.gz NWDRXXQOESBDSP-LJQANCHMSA-N 2 0 329.419 3.167 20 0 EGADRP O[C@@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)N(Cc2ccccc2)C1 ZINC000459451681 458375877 /nfs/dbraw/zinc/37/58/77/458375877.db2.gz LNPGFKXGKSUXQD-WOJBJXKFSA-N 2 0 344.886 3.108 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000430229742 458425694 /nfs/dbraw/zinc/42/56/94/458425694.db2.gz YPMZLHAIZHPCEV-XMSQKQJNSA-N 2 0 341.543 3.023 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423474350 458438412 /nfs/dbraw/zinc/43/84/12/458438412.db2.gz HFARCNJHCCOHHE-LSDHHAIUSA-N 2 0 334.460 3.264 20 0 EGADRP FC1(F)CNCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423473410 458438499 /nfs/dbraw/zinc/43/84/99/458438499.db2.gz ISBHHYKHVCCWSS-FZMZJTMJSA-N 2 0 330.806 3.388 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423477749 458438791 /nfs/dbraw/zinc/43/87/91/458438791.db2.gz KISFRUBFNXRSMD-CBPXPLCBSA-N 3 0 341.543 3.409 20 0 EGADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491420 458442206 /nfs/dbraw/zinc/44/22/06/458442206.db2.gz JOXHCAGAZSNCCJ-JKSUJKDBSA-N 2 0 329.488 3.192 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000423492515 458442660 /nfs/dbraw/zinc/44/26/60/458442660.db2.gz NILXDZDMOCDVSL-GMXVVIOVSA-N 2 0 327.266 3.236 20 0 EGADRP [NH3+]C1(C[NH2+]C2CCN(c3ccccc3)CC2)C2CC3CC(C2)CC1C3 ZINC000423527649 458452773 /nfs/dbraw/zinc/45/27/73/458452773.db2.gz MZOIYLABAGMXTP-UHFFFAOYSA-N 2 0 339.527 3.399 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000373311328 458458367 /nfs/dbraw/zinc/45/83/67/458458367.db2.gz POXFOPFBKKPNOC-MRXNPFEDSA-N 2 0 336.549 3.356 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430570409 458463999 /nfs/dbraw/zinc/46/39/99/458463999.db2.gz GSRUYWTVIXOBFU-VQIMIIECSA-N 2 0 337.467 3.498 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000430585824 458466117 /nfs/dbraw/zinc/46/61/17/458466117.db2.gz RJDBAOCJFGFORE-UKRRQHHQSA-N 2 0 325.884 3.281 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000430585823 458466788 /nfs/dbraw/zinc/46/67/88/458466788.db2.gz RJDBAOCJFGFORE-HIFRSBDPSA-N 2 0 325.884 3.281 20 0 EGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000430603517 458470203 /nfs/dbraw/zinc/47/02/03/458470203.db2.gz NVUUVTMQTQTQCD-CVEARBPZSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423737395 458477329 /nfs/dbraw/zinc/47/73/29/458477329.db2.gz AOJZCEHUTNYSIQ-QFBILLFUSA-N 2 0 331.504 3.045 20 0 EGADRP C[C@]([NH3+])(C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000423767041 458481465 /nfs/dbraw/zinc/48/14/65/458481465.db2.gz DAQDZIRIKSECCY-OAQYLSRUSA-N 2 0 337.467 3.138 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423805223 458487477 /nfs/dbraw/zinc/48/74/77/458487477.db2.gz YZAXAECCIZGXLE-RBUKOAKNSA-N 2 0 335.536 3.009 20 0 EGADRP [NH3+]C[C@@H]1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916375 458503751 /nfs/dbraw/zinc/50/37/51/458503751.db2.gz AFVDJIPRTQAHAR-YJBOKZPZSA-N 2 0 334.423 3.107 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430964985 458511307 /nfs/dbraw/zinc/51/13/07/458511307.db2.gz HDRXRWUEOMWSML-CVEARBPZSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000460380176 458515143 /nfs/dbraw/zinc/51/51/43/458515143.db2.gz LWFZIEVIVGNNJQ-BTHPGYMESA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517976 458517208 /nfs/dbraw/zinc/51/72/08/458517208.db2.gz FKCXTDCYWDASPV-KTQJEEDSSA-N 2 0 347.469 3.110 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000438120846 458537554 /nfs/dbraw/zinc/53/75/54/458537554.db2.gz XJMDLCRETNZEFD-PWRODBHTSA-N 2 0 328.500 3.400 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438210358 458548721 /nfs/dbraw/zinc/54/87/21/458548721.db2.gz UVRSUUJZHCTAQG-PWRODBHTSA-N 2 0 330.516 3.179 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1)C1CC1 ZINC000424066850 458549508 /nfs/dbraw/zinc/54/95/08/458549508.db2.gz GHVGUIAQWXECTN-MDZRGWNJSA-N 2 0 343.515 3.116 20 0 EGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000493737889 458550782 /nfs/dbraw/zinc/55/07/82/458550782.db2.gz SPVDAGSHVBOQLH-WKRCXCSHSA-N 2 0 341.543 3.215 20 0 EGADRP Cc1cc(F)c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000424150256 458571854 /nfs/dbraw/zinc/57/18/54/458571854.db2.gz YLXWSEJCNSZKJB-HUUCEWRRSA-N 2 0 326.431 3.252 20 0 EGADRP [NH3+][C@@H](CCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)CC1CCCCC1 ZINC000424163394 458575225 /nfs/dbraw/zinc/57/52/25/458575225.db2.gz DRKVUOPVTJNJAS-ICSRJNTNSA-N 2 0 343.515 3.068 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438544442 458595257 /nfs/dbraw/zinc/59/52/57/458595257.db2.gz IMYVKKJDGDKSHJ-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000424261870 458596832 /nfs/dbraw/zinc/59/68/32/458596832.db2.gz PODDJTHRTHNZRG-UHFFFAOYSA-N 2 0 344.499 3.350 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000424269171 458599588 /nfs/dbraw/zinc/59/95/88/458599588.db2.gz OULIKPCPQZGJFG-ZRZPHAQCSA-N 2 0 344.499 3.350 20 0 EGADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424298900 458608179 /nfs/dbraw/zinc/60/81/79/458608179.db2.gz UOKHQHSENLRNJQ-MRXNPFEDSA-N 2 0 329.488 3.213 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(OC(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424369850 458626864 /nfs/dbraw/zinc/62/68/64/458626864.db2.gz BQVGCGOTCUPEMI-GFCCVEGCSA-N 2 0 328.378 3.391 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424378227 458628517 /nfs/dbraw/zinc/62/85/17/458628517.db2.gz NLRHNXAYUKVEJD-UYAOXDASSA-N 2 0 345.531 3.026 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424376227 458629406 /nfs/dbraw/zinc/62/94/06/458629406.db2.gz KPPUCPMXQJHNLF-MRXNPFEDSA-N 2 0 338.499 3.453 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000424424918 458639933 /nfs/dbraw/zinc/63/99/33/458639933.db2.gz IXAIGYHYBJFPTC-HNAYVOBHSA-N 2 0 340.471 3.267 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000424443918 458645096 /nfs/dbraw/zinc/64/50/96/458645096.db2.gz LUSIDBCLCLZJCD-INIZCTEOSA-N 2 0 332.492 3.230 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)CN1CC[NH+](C)CC1 ZINC000462786072 458653319 /nfs/dbraw/zinc/65/33/19/458653319.db2.gz UMCLCBCVLBWTGU-GOSISDBHSA-N 2 0 329.532 3.317 20 0 EGADRP CN(CCOc1ccc(Br)cc1)CC[C@@H]1CCC[N@@H+]1C ZINC000502679788 458664389 /nfs/dbraw/zinc/66/43/89/458664389.db2.gz ALLHQOGKBUJIRP-HNNXBMFYSA-N 2 0 341.293 3.244 20 0 EGADRP CC[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000546810625 458678276 /nfs/dbraw/zinc/67/82/76/458678276.db2.gz SXJPDIPWQSRTSB-NHCUHLMSSA-N 2 0 329.532 3.457 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)C ZINC000463361065 458692293 /nfs/dbraw/zinc/69/22/93/458692293.db2.gz YTYJCMWKNGYVMS-UHFFFAOYSA-N 2 0 345.531 3.267 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000456528499 458704638 /nfs/dbraw/zinc/70/46/38/458704638.db2.gz KRENSWDYCHJGFE-SFHVURJKSA-N 2 0 345.531 3.473 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1csc(Cl)c1Cl ZINC000432250918 458705928 /nfs/dbraw/zinc/70/59/28/458705928.db2.gz OLEZNZUCQHIIPE-LBPRGKRZSA-N 2 0 337.316 3.381 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CC[C@@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000494647723 458718647 /nfs/dbraw/zinc/71/86/47/458718647.db2.gz IYLRBHCQXQMJEG-MJGOQNOKSA-N 2 0 343.515 3.298 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)cc2c(C)c1 ZINC000432352146 458721752 /nfs/dbraw/zinc/72/17/52/458721752.db2.gz WAGPLCFIPRDFTC-KRWDZBQOSA-N 2 0 329.488 3.375 20 0 EGADRP COCCC1(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCCCC1 ZINC000432359478 458723702 /nfs/dbraw/zinc/72/37/02/458723702.db2.gz QOMVAVLIYVFHCJ-GOSISDBHSA-N 2 0 326.525 3.064 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)CCC2 ZINC000530242383 458728217 /nfs/dbraw/zinc/72/82/17/458728217.db2.gz UEWHDKIUJHWYME-AZUAARDMSA-N 2 0 332.463 3.294 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494821326 458750840 /nfs/dbraw/zinc/75/08/40/458750840.db2.gz FRAGJWUSPOYLAV-FQEVSTJZSA-N 2 0 341.499 3.280 20 0 EGADRP C[N@H+](CCC(=O)NCc1cccc(-c2ncc[nH]2)c1)C1CCCCC1 ZINC000547736921 458781683 /nfs/dbraw/zinc/78/16/83/458781683.db2.gz UFVDVJKGOWRXSG-UHFFFAOYSA-N 2 0 340.471 3.348 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCS2 ZINC000547978192 458818194 /nfs/dbraw/zinc/81/81/94/458818194.db2.gz HPMZDKSEOGUJAI-IBGZPJMESA-N 2 0 347.572 3.458 20 0 EGADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCSCC1 ZINC000547978795 458818615 /nfs/dbraw/zinc/81/86/15/458818615.db2.gz IXNGRLYNWTUIAU-PXNSSMCTSA-N 2 0 347.572 3.096 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000473319744 458825607 /nfs/dbraw/zinc/82/56/07/458825607.db2.gz JFABBKNYPGRSGN-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000576863217 458936869 /nfs/dbraw/zinc/93/68/69/458936869.db2.gz IERHKDZDQBZKHV-RXVVDRJESA-N 2 0 348.531 3.042 20 0 EGADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000475339880 458937187 /nfs/dbraw/zinc/93/71/87/458937187.db2.gz WHYHBVSXGXXVTI-AYWYSENESA-N 2 0 329.532 3.217 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+]CCN2CC=CCC2)cc1 ZINC000475500449 458947132 /nfs/dbraw/zinc/94/71/32/458947132.db2.gz BQRHIPOZCLKPRO-BHIFYINESA-N 2 0 339.527 3.139 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000531683401 458959772 /nfs/dbraw/zinc/95/97/72/458959772.db2.gz JKCYNFAFJNZALF-OXJNMPFZSA-N 2 0 328.456 3.426 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000495803928 458960117 /nfs/dbraw/zinc/96/01/17/458960117.db2.gz MVKBFAASBUIZPR-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(F)cc1 ZINC000531703419 458964498 /nfs/dbraw/zinc/96/44/98/458964498.db2.gz XXSWXRASTLSYJK-LAUBAEHRSA-N 2 0 341.474 3.465 20 0 EGADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000531956684 459006503 /nfs/dbraw/zinc/00/65/03/459006503.db2.gz UAWJIHTXIMBAKG-RBUKOAKNSA-N 2 0 344.524 3.387 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000577482197 459039689 /nfs/dbraw/zinc/03/96/89/459039689.db2.gz JVZZISXHDWCUQY-IRXDYDNUSA-N 2 0 334.533 3.303 20 0 EGADRP Cc1ccc2cc([C@H](C)[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)oc2c1 ZINC000442870278 459049085 /nfs/dbraw/zinc/04/90/85/459049085.db2.gz GBXJEJCEWVWSSJ-INIZCTEOSA-N 2 0 329.488 3.418 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442918946 459059294 /nfs/dbraw/zinc/05/92/94/459059294.db2.gz IKJBYEXECXVPNG-MRXNPFEDSA-N 2 0 330.451 3.189 20 0 EGADRP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058148 459079857 /nfs/dbraw/zinc/07/98/57/459079857.db2.gz JLTGIHARASODCY-PKOBYXMFSA-N 2 0 345.531 3.123 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000443062686 459081478 /nfs/dbraw/zinc/08/14/78/459081478.db2.gz UZNUJZWBOHGBPJ-CYBMUJFWSA-N 2 0 332.366 3.025 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060896 459081504 /nfs/dbraw/zinc/08/15/04/459081504.db2.gz QAVGXAASXAGAMJ-VXGBXAGGSA-N 2 0 344.286 3.381 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000496162721 459093240 /nfs/dbraw/zinc/09/32/40/459093240.db2.gz WUFTVGUAXSLDFU-QZTJIDSGSA-N 2 0 325.412 3.142 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc(C[NH3+])cc3)ccc21 ZINC000567502106 459117048 /nfs/dbraw/zinc/11/70/48/459117048.db2.gz XHKBWEKMEDICAJ-IBGZPJMESA-N 2 0 338.455 3.016 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCN1C ZINC000496242275 459121680 /nfs/dbraw/zinc/12/16/80/459121680.db2.gz FKFMWCKRLVQSKY-SQNIBIBYSA-N 2 0 345.487 3.112 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496254390 459126256 /nfs/dbraw/zinc/12/62/56/459126256.db2.gz KSWDEYWKXQZALR-MOPGFXCFSA-N 2 0 347.503 3.333 20 0 EGADRP Cc1ccccc1OC[C@@H](O)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000567581530 459128147 /nfs/dbraw/zinc/12/81/47/459128147.db2.gz GBZGTGWVJUMLFC-NSHGMRRFSA-N 2 0 348.531 3.082 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000567647678 459138749 /nfs/dbraw/zinc/13/87/49/459138749.db2.gz IMBGILJXWXACOE-RTBURBONSA-N 2 0 334.467 3.302 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578247722 459170484 /nfs/dbraw/zinc/17/04/84/459170484.db2.gz GGZIFOGXFXLXJO-HZPDHXFCSA-N 2 0 327.428 3.242 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567890098 459184612 /nfs/dbraw/zinc/18/46/12/459184612.db2.gz LPKDDHLJMLUYAF-GOEBONIOSA-N 2 0 349.906 3.297 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000480554611 459204857 /nfs/dbraw/zinc/20/48/57/459204857.db2.gz NOWDGKBTMXOPAF-FCHUYYIVSA-N 2 0 345.575 3.424 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1(C)C ZINC000522058819 459209119 /nfs/dbraw/zinc/20/91/19/459209119.db2.gz WDHDVFPKQDWOAW-GOSISDBHSA-N 2 0 335.923 3.333 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCC[C@@H](C)C1 ZINC000480618982 459210116 /nfs/dbraw/zinc/21/01/16/459210116.db2.gz YRHBVHQWGLPGAJ-GUDVDZBRSA-N 2 0 347.547 3.398 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000590812635 459230737 /nfs/dbraw/zinc/23/07/37/459230737.db2.gz BRDITBFCZLIBFD-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000590818969 459231666 /nfs/dbraw/zinc/23/16/66/459231666.db2.gz NKVFSRMTHYVONT-QGZVFWFLSA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000533440992 459235322 /nfs/dbraw/zinc/23/53/22/459235322.db2.gz VMLCWDLTBKMFKJ-QGFMHUBQSA-N 2 0 326.525 3.155 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@H]([S@@](C)=O)C3)CC2)C1 ZINC000595073793 459237657 /nfs/dbraw/zinc/23/76/57/459237657.db2.gz VPEFUJBWGQCVIP-VGYALHFDSA-N 2 0 340.577 3.309 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496568704 459243132 /nfs/dbraw/zinc/24/31/32/459243132.db2.gz IPCBUKTYEGEAPC-IAGOWNOFSA-N 2 0 333.476 3.147 20 0 EGADRP Cc1ncc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000568269774 459261176 /nfs/dbraw/zinc/26/11/76/459261176.db2.gz XHTKQISHTXRMHT-LPHOPBHVSA-N 2 0 326.488 3.119 20 0 EGADRP CC(C)c1nnc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000559790523 459278071 /nfs/dbraw/zinc/27/80/71/459278071.db2.gz YBTBYSPCACTGGY-XIRDDKMYSA-N 2 0 327.476 3.414 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000560002398 459291577 /nfs/dbraw/zinc/29/15/77/459291577.db2.gz HNNVCKVYOXOMDV-SFTDATJTSA-N 2 0 329.532 3.487 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000482359795 459305149 /nfs/dbraw/zinc/30/51/49/459305149.db2.gz QPNZBTVGBRAHFJ-SFHVURJKSA-N 2 0 343.559 3.490 20 0 EGADRP CCC1CC([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000560243308 459314584 /nfs/dbraw/zinc/31/45/84/459314584.db2.gz GPGIKXAUUMBXRJ-UHFFFAOYSA-N 2 0 346.515 3.454 20 0 EGADRP CC(C)C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)NC(=O)OC(C)(C)C ZINC000496918588 459370363 /nfs/dbraw/zinc/37/03/63/459370363.db2.gz FMYSOEYKSGGPED-IRXDYDNUSA-N 2 0 341.540 3.246 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000483712601 459385411 /nfs/dbraw/zinc/38/54/11/459385411.db2.gz MJYIZJXZKBZPET-ZVDOUQERSA-N 2 0 348.531 3.489 20 0 EGADRP CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000483861916 459395838 /nfs/dbraw/zinc/39/58/38/459395838.db2.gz PUADSUFAYMMFCJ-ZAAXVRCTSA-N 2 0 334.504 3.481 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CCCc2ccc(C)cc2C)CC[NH2+]CC1 ZINC000591567553 459402806 /nfs/dbraw/zinc/40/28/06/459402806.db2.gz PXTIRXGHZZRREB-SFHVURJKSA-N 2 0 346.515 3.147 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000497174651 459472957 /nfs/dbraw/zinc/47/29/57/459472957.db2.gz AHOFCHGWZIVUHW-CVEARBPZSA-N 2 0 339.524 3.286 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000561763930 459481773 /nfs/dbraw/zinc/48/17/73/459481773.db2.gz ZRUHZMUJPHARCL-UHFFFAOYSA-N 2 0 333.501 3.326 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000569795431 459511354 /nfs/dbraw/zinc/51/13/54/459511354.db2.gz TYUDRGIFVTYIDW-PKOBYXMFSA-N 2 0 344.503 3.052 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000569803322 459512318 /nfs/dbraw/zinc/51/23/18/459512318.db2.gz NCYBWFCWNQBQIG-UXHICEINSA-N 2 0 348.531 3.287 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000569874421 459523888 /nfs/dbraw/zinc/52/38/88/459523888.db2.gz GNZPJKKBLPHYFT-QGZVFWFLSA-N 2 0 345.531 3.276 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000497856990 459560556 /nfs/dbraw/zinc/56/05/56/459560556.db2.gz LNVXXHHSXSWKHW-KURKYZTESA-N 2 0 338.536 3.456 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000583929797 459620460 /nfs/dbraw/zinc/62/04/60/459620460.db2.gz DDIAKRCNQMHNKO-WOJBJXKFSA-N 2 0 348.531 3.001 20 0 EGADRP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000592515934 459621181 /nfs/dbraw/zinc/62/11/81/459621181.db2.gz OMHLCXVIABBUIT-GUDVDZBRSA-N 2 0 336.520 3.495 20 0 EGADRP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000592515932 459621283 /nfs/dbraw/zinc/62/12/83/459621283.db2.gz OMHLCXVIABBUIT-CEXWTWQISA-N 2 0 336.520 3.495 20 0 EGADRP Fc1c(Br)ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000527637849 459680592 /nfs/dbraw/zinc/68/05/92/459680592.db2.gz PJCYOXPBEVMYKC-JTQLQIEISA-N 2 0 345.231 3.301 20 0 EGADRP CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000584225912 459685334 /nfs/dbraw/zinc/68/53/34/459685334.db2.gz JRMIQHYFQRPCDP-NJDAHSKKSA-N 2 0 329.532 3.265 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1 ZINC000562987620 459687452 /nfs/dbraw/zinc/68/74/52/459687452.db2.gz TYEXQMBRPYOUNW-UTKZUKDTSA-N 2 0 326.484 3.393 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527674936 459695327 /nfs/dbraw/zinc/69/53/27/459695327.db2.gz MWTBOBHLOOQAOJ-WOJBJXKFSA-N 2 0 327.472 3.025 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527693466 459703496 /nfs/dbraw/zinc/70/34/96/459703496.db2.gz WNQPQWMPLHMUSW-OAQYLSRUSA-N 2 0 349.478 3.414 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000563064083 459708139 /nfs/dbraw/zinc/70/81/39/459708139.db2.gz UFMVNFWXNJFDND-KRWDZBQOSA-N 2 0 331.504 3.067 20 0 EGADRP Cc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000563252659 459747080 /nfs/dbraw/zinc/74/70/80/459747080.db2.gz UONSJNYYSPNGSH-UHFFFAOYSA-N 2 0 335.923 3.297 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527849111 459758685 /nfs/dbraw/zinc/75/86/85/459758685.db2.gz LJXZKOJNLMSFTP-SFHVURJKSA-N 2 0 339.886 3.082 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1CC12CC2 ZINC000527853288 459758818 /nfs/dbraw/zinc/75/88/18/459758818.db2.gz UHHYFUGKWUNJNG-DFQSSKMNSA-N 2 0 327.516 3.143 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Oc1ccc(Br)cc1 ZINC000584540106 459765683 /nfs/dbraw/zinc/76/56/83/459765683.db2.gz NVNYOFXVMVZDIM-BNOWGMLFSA-N 2 0 327.266 3.076 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000574192531 459789953 /nfs/dbraw/zinc/78/99/53/459789953.db2.gz ZZDMONGVVFFOIO-WOJBJXKFSA-N 2 0 348.531 3.001 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000584782878 459801487 /nfs/dbraw/zinc/80/14/87/459801487.db2.gz VBSZHOSRZKGJLW-BHIFYINESA-N 2 0 335.495 3.146 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000566087709 459803203 /nfs/dbraw/zinc/80/32/03/459803203.db2.gz DRLUKPLAWYXWTH-CYBMUJFWSA-N 2 0 345.409 3.400 20 0 EGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000566230138 459826444 /nfs/dbraw/zinc/82/64/44/459826444.db2.gz KYABDZRCYAGXFG-YJBOKZPZSA-N 2 0 334.479 3.334 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000574970146 459902275 /nfs/dbraw/zinc/90/22/75/459902275.db2.gz RUUWKVRLMHPXPG-MRXNPFEDSA-N 2 0 343.402 3.011 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000575039321 459913882 /nfs/dbraw/zinc/91/38/82/459913882.db2.gz FWZKLBYIGABAOD-IBGZPJMESA-N 2 0 338.923 3.345 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000621642699 459994192 /nfs/dbraw/zinc/99/41/92/459994192.db2.gz UECVECQYDJKUMN-QUCCMNQESA-N 2 0 343.515 3.028 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000621642697 459994729 /nfs/dbraw/zinc/99/47/29/459994729.db2.gz UECVECQYDJKUMN-AZUAARDMSA-N 2 0 343.515 3.028 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000576002449 460051329 /nfs/dbraw/zinc/05/13/29/460051329.db2.gz XRAQYNUQUAEHKX-NRFANRHFSA-N 2 0 349.478 3.414 20 0 EGADRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1Cl ZINC000598975037 460110755 /nfs/dbraw/zinc/11/07/55/460110755.db2.gz WGHBKUOKKGFGOG-UHFFFAOYSA-N 2 0 328.909 3.266 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618669062 460119505 /nfs/dbraw/zinc/11/95/05/460119505.db2.gz DVPKFICTWKFNJL-QUCCMNQESA-N 2 0 343.515 3.203 20 0 EGADRP Fc1ccccc1COc1ccc(CN2CCc3nc[nH]c3C2)cn1 ZINC000625437868 460172380 /nfs/dbraw/zinc/17/23/80/460172380.db2.gz VNKFBMGDPPUVDY-UHFFFAOYSA-N 2 0 338.386 3.081 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000599320397 460228013 /nfs/dbraw/zinc/22/80/13/460228013.db2.gz SESBJIVDHSJSSO-FQEVSTJZSA-N 2 0 343.515 3.163 20 0 EGADRP O=C1C[C@@]2(CCCN(CCC[NH+]3CCCCC3)C2)Oc2ccccc21 ZINC000625803090 460270629 /nfs/dbraw/zinc/27/06/29/460270629.db2.gz NOTHAVZYOOGJEI-OAQYLSRUSA-N 2 0 342.483 3.362 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622569215 460280441 /nfs/dbraw/zinc/28/04/41/460280441.db2.gz WCBYMJNYPXVIFV-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)NC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062318 460358866 /nfs/dbraw/zinc/35/88/66/460358866.db2.gz OQQYCSFRWAEHNA-INIZCTEOSA-N 2 0 333.520 3.263 20 0 EGADRP CC1(C)C[NH+](C/C=C/C[N@H+]2CC(C)(C)OCC2(C)C)C(C)(C)CO1 ZINC000604390528 460417123 /nfs/dbraw/zinc/41/71/23/460417123.db2.gz ZACVBUYKVOIBIM-MDZDMXLPSA-N 2 0 338.536 3.321 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2F)C(C)C)CC1 ZINC000634678406 460471548 /nfs/dbraw/zinc/47/15/48/460471548.db2.gz SAXRSISOJARAQW-IBGZPJMESA-N 2 0 339.474 3.279 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000634678305 460471588 /nfs/dbraw/zinc/47/15/88/460471588.db2.gz OYBNLWLKSXWOJO-GOSISDBHSA-N 2 0 334.504 3.454 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000631644716 460486921 /nfs/dbraw/zinc/48/69/21/460486921.db2.gz IUYBUGHGYPOHGR-NRFANRHFSA-N 2 0 344.499 3.163 20 0 EGADRP c1cnc2c(c1)[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000631646585 460487385 /nfs/dbraw/zinc/48/73/85/460487385.db2.gz LBEQWACHRKBHOJ-OAQYLSRUSA-N 2 0 336.483 3.356 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668098 460501334 /nfs/dbraw/zinc/50/13/34/460501334.db2.gz VLLBEXFSZAOWRJ-LVCYWYKZSA-N 3 0 329.532 3.074 20 0 EGADRP C[C@H]1CN(CCC[NH2+]Cc2csc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000623344867 460501600 /nfs/dbraw/zinc/50/16/00/460501600.db2.gz GVPKQQYILCPPSQ-RYUDHWBXSA-N 2 0 336.423 3.356 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623412636 460535270 /nfs/dbraw/zinc/53/52/70/460535270.db2.gz UKKCCQWSBIZVNC-CYBMUJFWSA-N 2 0 336.423 3.093 20 0 EGADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000629399237 460748224 /nfs/dbraw/zinc/74/82/24/460748224.db2.gz DPWSMBUEJCTHSZ-JKSUJKDBSA-N 2 0 330.394 3.297 20 0 EGADRP FC(F)(F)c1ncccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000629545497 460802294 /nfs/dbraw/zinc/80/22/94/460802294.db2.gz MYOKTJFBXQWQLJ-AWEZNQCLSA-N 2 0 327.394 3.312 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000629556661 460806057 /nfs/dbraw/zinc/80/60/57/460806057.db2.gz WWXOWCJMHHYPDA-NCXUSEDFSA-N 2 0 334.891 3.464 20 0 EGADRP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000629559822 460807577 /nfs/dbraw/zinc/80/75/77/460807577.db2.gz NOIGNOGFYNQHSV-INIZCTEOSA-N 2 0 344.421 3.029 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561850 460809822 /nfs/dbraw/zinc/80/98/22/460809822.db2.gz JVHZTHPZRZENBI-HZPDHXFCSA-N 2 0 330.394 3.052 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000629582610 460814907 /nfs/dbraw/zinc/81/49/07/460814907.db2.gz WLRJYHQHWJGETP-WOJBJXKFSA-N 2 0 342.870 3.294 20 0 EGADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000620935671 460832468 /nfs/dbraw/zinc/83/24/68/460832468.db2.gz VOFLHNHWXCHWAY-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](NC[C@H]1CCCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121762 460869476 /nfs/dbraw/zinc/86/94/76/460869476.db2.gz CRWKMFSINITCQL-CEWLAPEOSA-N 2 0 329.532 3.219 20 0 EGADRP c1cc(-c2ccc(C3=CC[NH2+]CC3)cc2)sc1CN1CC[NH2+]CC1 ZINC000629722404 460887724 /nfs/dbraw/zinc/88/77/24/460887724.db2.gz AJGDGCMDERQEBM-UHFFFAOYSA-N 2 0 339.508 3.197 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)c2ccccc21 ZINC000624188019 460902356 /nfs/dbraw/zinc/90/23/56/460902356.db2.gz UGJJFBIXNBSPFT-IEBWSBKVSA-N 2 0 327.472 3.091 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000607939972 460942757 /nfs/dbraw/zinc/94/27/57/460942757.db2.gz GUQOSFCGBLAHNW-MRXNPFEDSA-N 2 0 335.492 3.068 20 0 EGADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CCC1 ZINC000629952348 460972129 /nfs/dbraw/zinc/97/21/29/460972129.db2.gz AKKIPBBZUUSRKB-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP C[N@H+](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CCC1 ZINC000629953755 460972409 /nfs/dbraw/zinc/97/24/09/460972409.db2.gz SZXTYEUVYVYAIW-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP C[N@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000630010639 460995903 /nfs/dbraw/zinc/99/59/03/460995903.db2.gz NVVJBHSEKACYIC-UHFFFAOYSA-N 2 0 347.528 3.297 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000630072446 461014202 /nfs/dbraw/zinc/01/42/02/461014202.db2.gz KYMGOWVOUIWEQK-UHFFFAOYSA-N 2 0 327.516 3.173 20 0 EGADRP Cn1cncc1CCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662269979 461156813 /nfs/dbraw/zinc/15/68/13/461156813.db2.gz FVFFDOKJCSJIBL-FPOVZHCZSA-N 2 0 340.515 3.025 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc3ccccc3s2)C1 ZINC000652363991 461156912 /nfs/dbraw/zinc/15/69/12/461156912.db2.gz UFESOUOHYLGHEL-VNQPRFMTSA-N 2 0 331.485 3.157 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000655270945 461158282 /nfs/dbraw/zinc/15/82/82/461158282.db2.gz PMQMSORTLSIPFH-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000662286944 461167313 /nfs/dbraw/zinc/16/73/13/461167313.db2.gz UQDNVWXKDXRXSK-PXCRPINLSA-N 2 0 328.500 3.325 20 0 EGADRP CCC[C@@H]([NH3+])c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179925 461167992 /nfs/dbraw/zinc/16/79/92/461167992.db2.gz WVBJQZWGMACTRE-GOSISDBHSA-N 2 0 327.476 3.112 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293007 461170675 /nfs/dbraw/zinc/17/06/75/461170675.db2.gz QHFBICZPPHMWFK-LPHOPBHVSA-N 2 0 343.515 3.288 20 0 EGADRP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312786 461183899 /nfs/dbraw/zinc/18/38/99/461183899.db2.gz DWVCHCCMDWWTLH-VQIMIIECSA-N 2 0 349.494 3.014 20 0 EGADRP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1C ZINC000662314042 461185473 /nfs/dbraw/zinc/18/54/73/461185473.db2.gz LRFCZPADYDOGJQ-YVWKXTFCSA-N 2 0 345.531 3.320 20 0 EGADRP Fc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327090 461195521 /nfs/dbraw/zinc/19/55/21/461195521.db2.gz ITBFFOBACHGTMC-UHFFFAOYSA-N 2 0 342.462 3.395 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C1=CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000638080474 461230935 /nfs/dbraw/zinc/23/09/35/461230935.db2.gz NVHVWYPJFNGLGH-IBGZPJMESA-N 2 0 341.499 3.115 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638090772 461234544 /nfs/dbraw/zinc/23/45/44/461234544.db2.gz YNMRXOYFLAHTKC-KRWDZBQOSA-N 2 0 349.544 3.246 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc2c1C[NH2+]C2 ZINC000662421279 461237668 /nfs/dbraw/zinc/23/76/68/461237668.db2.gz WXHTXXVVFBXNTK-LJQANCHMSA-N 2 0 349.478 3.074 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000662459297 461251069 /nfs/dbraw/zinc/25/10/69/461251069.db2.gz FXRNYUOMESGRNZ-QRVBRYPASA-N 2 0 337.552 3.111 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662524529 461282120 /nfs/dbraw/zinc/28/21/20/461282120.db2.gz XZTABMRDEWORNB-LPHOPBHVSA-N 2 0 345.531 3.306 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000641663753 461311138 /nfs/dbraw/zinc/31/11/38/461311138.db2.gz UVIWXUYRNVLYKP-LJQANCHMSA-N 2 0 335.536 3.118 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)C1 ZINC000662676490 461343385 /nfs/dbraw/zinc/34/33/85/461343385.db2.gz XJXWTHJTMBJVNI-CRAIPNDOSA-N 2 0 329.488 3.245 20 0 EGADRP Cc1ccc(CC[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000638275496 461343873 /nfs/dbraw/zinc/34/38/73/461343873.db2.gz SULYOFGMMRAHGC-UHFFFAOYSA-N 2 0 338.495 3.284 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](c3ccccc3)C3CCC3)C2)CC1 ZINC000641773268 461364078 /nfs/dbraw/zinc/36/40/78/461364078.db2.gz GIJUPLHKRFLHTI-FPOVZHCZSA-N 2 0 327.516 3.286 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000638330133 461373028 /nfs/dbraw/zinc/37/30/28/461373028.db2.gz QJZJAZNIMXDJLJ-LEWJYISDSA-N 2 0 346.515 3.060 20 0 EGADRP COCc1cccc(OCC2(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)CCC2)c1 ZINC000641803002 461380850 /nfs/dbraw/zinc/38/08/50/461380850.db2.gz QRXCAODHDYPOKT-ROUUACIJSA-N 2 0 332.488 3.098 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC(C)(C)[NH3+])c2)CC1 ZINC000641814357 461386516 /nfs/dbraw/zinc/38/65/16/461386516.db2.gz BZMYQUVTTSQMOS-UHFFFAOYSA-N 2 0 346.519 3.210 20 0 EGADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398156 /nfs/dbraw/zinc/39/81/56/461398156.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 2 0 327.516 3.286 20 0 EGADRP CC(CC[NH+]1CCCOC(C)(C)C1)CC[N@@H+]1CCCOC(C)(C)C1 ZINC000662927301 461413773 /nfs/dbraw/zinc/41/37/73/461413773.db2.gz UATUSDAVMMOWMF-UHFFFAOYSA-N 2 0 340.552 3.405 20 0 EGADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638434287 461426944 /nfs/dbraw/zinc/42/69/44/461426944.db2.gz JXDXEUBIHDOTFJ-APWZRJJASA-N 2 0 331.504 3.064 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCOC1 ZINC000638444993 461431487 /nfs/dbraw/zinc/43/14/87/461431487.db2.gz HDYUZLUAFIYBQJ-RTWAWAEBSA-N 2 0 346.515 3.204 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000638505775 461461669 /nfs/dbraw/zinc/46/16/69/461461669.db2.gz NYMBKSMXNMWOEB-UHFFFAOYSA-N 2 0 336.907 3.197 20 0 EGADRP c1ccc2c(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nsc2c1 ZINC000659861084 461463935 /nfs/dbraw/zinc/46/39/35/461463935.db2.gz NZCKEBAECKMFQM-UHFFFAOYSA-N 2 0 345.512 3.231 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC[C@H]1[NH3+] ZINC000647009539 461480869 /nfs/dbraw/zinc/48/08/69/461480869.db2.gz FNIOCQXBGKEUME-PKOBYXMFSA-N 2 0 331.504 3.116 20 0 EGADRP CO[C@H](C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCOC1 ZINC000638567801 461490403 /nfs/dbraw/zinc/49/04/03/461490403.db2.gz RXWFVZXWOZVZSB-LEWJYISDSA-N 2 0 346.515 3.060 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631038823 461492035 /nfs/dbraw/zinc/49/20/35/461492035.db2.gz NAKOQANIQDFFKS-UHFFFAOYSA-N 2 0 329.463 3.095 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587422 461496105 /nfs/dbraw/zinc/49/61/05/461496105.db2.gz CKXMLQISTJQCFT-LMNJBCLMSA-N 2 0 327.516 3.286 20 0 EGADRP COc1ccccc1N1CCC([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000631045448 461498995 /nfs/dbraw/zinc/49/89/95/461498995.db2.gz GETWUVWVLUEGAL-GOSISDBHSA-N 2 0 345.531 3.376 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000638729400 461552735 /nfs/dbraw/zinc/55/27/35/461552735.db2.gz PBSOTIQQFIEONO-ZIAGYGMSSA-N 2 0 336.442 3.180 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000638734771 461555076 /nfs/dbraw/zinc/55/50/76/461555076.db2.gz HSKMFAOUSVRVFV-DZGCQCFKSA-N 2 0 336.442 3.180 20 0 EGADRP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663343929 461570810 /nfs/dbraw/zinc/57/08/10/461570810.db2.gz KBOZMOCOUPXKCI-IBGZPJMESA-N 2 0 327.516 3.367 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346591 461575682 /nfs/dbraw/zinc/57/56/82/461575682.db2.gz WCVCAZZJLZUVRK-MRXNPFEDSA-N 2 0 342.462 3.427 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000653253418 461592644 /nfs/dbraw/zinc/59/26/44/461592644.db2.gz TYFNJZIIBZLGAF-IBGZPJMESA-N 2 0 347.528 3.345 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253508 461593636 /nfs/dbraw/zinc/59/36/36/461593636.db2.gz WSGMFPYWSMBWOK-GOSISDBHSA-N 2 0 335.517 3.331 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)[C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000650149806 461601037 /nfs/dbraw/zinc/60/10/37/461601037.db2.gz KKPSRRILQDWPRG-SQNIBIBYSA-N 2 0 345.531 3.470 20 0 EGADRP CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000666419043 461615815 /nfs/dbraw/zinc/61/58/15/461615815.db2.gz YQALLGFJLKELIT-DYESRHJHSA-N 2 0 346.515 3.454 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c2ccccc12 ZINC000631180020 461617415 /nfs/dbraw/zinc/61/74/15/461617415.db2.gz LVBKCDJZCAKTDM-UHFFFAOYSA-N 2 0 329.463 3.048 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1 ZINC000666474353 461652921 /nfs/dbraw/zinc/65/29/21/461652921.db2.gz HHXFXZZADVARPX-UHFFFAOYSA-N 2 0 327.472 3.089 20 0 EGADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467967 461656594 /nfs/dbraw/zinc/65/65/94/461656594.db2.gz IZPZBRHBMKZKLJ-PKOBYXMFSA-N 2 0 343.515 3.140 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663472192 461662021 /nfs/dbraw/zinc/66/20/21/461662021.db2.gz ZKJLNARUFNQDGR-HKUYNNGSSA-N 2 0 346.515 3.484 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000639001852 461674594 /nfs/dbraw/zinc/67/45/94/461674594.db2.gz POVQSUPKJJMIGB-JXFKEZNVSA-N 2 0 337.467 3.019 20 0 EGADRP C[NH2+]C[C@@H](C)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC000663511228 461681453 /nfs/dbraw/zinc/68/14/53/461681453.db2.gz WKABSUPYFKOHQV-MRVPVSSYSA-N 2 0 325.172 3.165 20 0 EGADRP [NH3+]C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000639068599 461704436 /nfs/dbraw/zinc/70/44/36/461704436.db2.gz XTFQIPWKZXRQMI-LJQANCHMSA-N 2 0 349.478 3.375 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1[NH3+] ZINC000647498149 461736453 /nfs/dbraw/zinc/73/64/53/461736453.db2.gz BLKVMBAXKOCQKI-QUCCMNQESA-N 2 0 325.456 3.220 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469389 461738553 /nfs/dbraw/zinc/73/85/53/461738553.db2.gz QUHGLPPTRGWMMM-HOCLYGCPSA-N 2 0 325.294 3.489 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1(O)CCCC1 ZINC000643493473 461744869 /nfs/dbraw/zinc/74/48/69/461744869.db2.gz HRGPYIJHNMWZHR-FXAWDEMLSA-N 2 0 344.499 3.163 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643523067 461752437 /nfs/dbraw/zinc/75/24/37/461752437.db2.gz WANOKVHEPULZBW-DZGCQCFKSA-N 2 0 339.277 3.395 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC45CC[NH2+]CC5)[C@@H]3C2)cc1 ZINC000643535015 461754035 /nfs/dbraw/zinc/75/40/35/461754035.db2.gz HICPTVJLXYOWQS-JSXRDJHFSA-N 3 0 339.527 3.019 20 0 EGADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543684 461758363 /nfs/dbraw/zinc/75/83/63/461758363.db2.gz RCSMOGAHYKIAFH-LSDHHAIUSA-N 2 0 330.501 3.350 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647543558 461759539 /nfs/dbraw/zinc/75/95/39/461759539.db2.gz PLAKDXICPJYMJX-GJZGRUSLSA-N 2 0 346.906 3.438 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643539260 461759660 /nfs/dbraw/zinc/75/96/60/461759660.db2.gz SWCUFDDWOFFGEI-WQVCFCJDSA-N 2 0 341.293 3.386 20 0 EGADRP CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)OC ZINC000639146332 461762364 /nfs/dbraw/zinc/76/23/64/461762364.db2.gz HRECBYPXWPVTTJ-OXJNMPFZSA-N 2 0 334.504 3.310 20 0 EGADRP CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)OC ZINC000639146333 461762993 /nfs/dbraw/zinc/76/29/93/461762993.db2.gz HRECBYPXWPVTTJ-OXQOHEQNSA-N 2 0 334.504 3.310 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)cc1 ZINC000656560147 461785703 /nfs/dbraw/zinc/78/57/03/461785703.db2.gz LWYUNVUDINVXAS-UHFFFAOYSA-N 2 0 340.452 3.172 20 0 EGADRP Clc1ccc(Cl)c(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000650499808 461795900 /nfs/dbraw/zinc/79/59/00/461795900.db2.gz CXXDMKWHJUKDPM-UHFFFAOYSA-N 2 0 328.287 3.115 20 0 EGADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000666838830 461826826 /nfs/dbraw/zinc/82/68/26/461826826.db2.gz GJAAOHBYLAYVSU-QGZVFWFLSA-N 2 0 346.519 3.033 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(O)c(=O)c1 ZINC000663830413 461828023 /nfs/dbraw/zinc/82/80/23/461828023.db2.gz KWVYDJPMBHJLBM-SFHVURJKSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647786713 461834493 /nfs/dbraw/zinc/83/44/93/461834493.db2.gz XCTBRLBUWLQZDE-XLBJILASSA-N 2 0 327.516 3.190 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790012 461837073 /nfs/dbraw/zinc/83/70/73/461837073.db2.gz PJGHPQJFHVQSGU-YWTNHNAXSA-N 2 0 347.934 3.452 20 0 EGADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000647795402 461838049 /nfs/dbraw/zinc/83/80/49/461838049.db2.gz PREZCFHXCWFESY-NJZAAPMLSA-N 2 0 348.288 3.408 20 0 EGADRP c1ccc(COCCC2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647795710 461838792 /nfs/dbraw/zinc/83/87/92/461838792.db2.gz UHOPPEPZPVABAK-SLFFLAALSA-N 2 0 328.500 3.351 20 0 EGADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccco2)cc1 ZINC000647799695 461841341 /nfs/dbraw/zinc/84/13/41/461841341.db2.gz OHCBDLRHKAYXJA-XLSPSMHOSA-N 2 0 326.440 3.355 20 0 EGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000647803171 461845451 /nfs/dbraw/zinc/84/54/51/461845451.db2.gz JRVUYLIVHNZPOX-LSDHHAIUSA-N 2 0 328.456 3.444 20 0 EGADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)cc1F ZINC000647814653 461847559 /nfs/dbraw/zinc/84/75/59/461847559.db2.gz XVQCGEHCADAMSY-UHFFFAOYSA-N 2 0 339.842 3.024 20 0 EGADRP COc1cc(CN(C)C[C@@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000647872606 461865268 /nfs/dbraw/zinc/86/52/68/461865268.db2.gz GELWUTVZRTWCJQ-LJQANCHMSA-N 2 0 340.467 3.316 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1[nH+]ccc2[nH]ccc21 ZINC000647877943 461867421 /nfs/dbraw/zinc/86/74/21/461867421.db2.gz JGTVJFJDVCRDSQ-KRWDZBQOSA-N 2 0 336.439 3.132 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952101 461884733 /nfs/dbraw/zinc/88/47/33/461884733.db2.gz FVXGQEACQFRQLZ-QGZVFWFLSA-N 2 0 330.863 3.066 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000666954339 461886291 /nfs/dbraw/zinc/88/62/91/461886291.db2.gz USVBMGOPVNGLSQ-SFHVURJKSA-N 2 0 333.907 3.036 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666954510 461886520 /nfs/dbraw/zinc/88/65/20/461886520.db2.gz WRPVCNNWPVPMEM-BBRMVZONSA-N 2 0 335.879 3.097 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782540 461892990 /nfs/dbraw/zinc/89/29/90/461892990.db2.gz HJLGOVRVNOVMHY-IBGZPJMESA-N 2 0 330.520 3.138 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000650706917 461899395 /nfs/dbraw/zinc/89/93/95/461899395.db2.gz VNKQAWMJSSAPSA-ZHALLVOQSA-N 2 0 341.455 3.060 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705984 461899457 /nfs/dbraw/zinc/89/94/57/461899457.db2.gz BLTKNFIEKFQFNI-CMKODMSKSA-N 2 0 332.488 3.194 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000650708061 461901145 /nfs/dbraw/zinc/90/11/45/461901145.db2.gz SQTFKPDSKGOGIS-IPELMVKDSA-N 2 0 343.446 3.092 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707874 461901813 /nfs/dbraw/zinc/90/18/13/461901813.db2.gz OSCXGFCCAQEPDY-GFOJFJKKSA-N 2 0 330.516 3.474 20 0 EGADRP c1ccc(C(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000647971870 461913401 /nfs/dbraw/zinc/91/34/01/461913401.db2.gz WTFOMESCMZVETL-NHCUHLMSSA-N 2 0 336.479 3.334 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000647972033 461915560 /nfs/dbraw/zinc/91/55/60/461915560.db2.gz GWOWTKTZVZDOSQ-MRXNPFEDSA-N 2 0 346.437 3.317 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000650723714 461915997 /nfs/dbraw/zinc/91/59/97/461915997.db2.gz SGDXEZUDPTVSGP-HYVNUMGLSA-N 2 0 326.843 3.340 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647974928 461917404 /nfs/dbraw/zinc/91/74/04/461917404.db2.gz CCDLQQPKBXGLPU-RBUKOAKNSA-N 2 0 343.515 3.262 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000647975920 461917554 /nfs/dbraw/zinc/91/75/54/461917554.db2.gz HOVTVRFSWXYFSP-JKSUJKDBSA-N 2 0 349.906 3.380 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000647976509 461918303 /nfs/dbraw/zinc/91/83/03/461918303.db2.gz POXDCDIQEQYEES-HOTGVXAUSA-N 2 0 349.906 3.380 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc2cccnc12 ZINC000667041686 461925248 /nfs/dbraw/zinc/92/52/48/461925248.db2.gz HACSQTLURZGHEE-TZIWHRDSSA-N 2 0 339.483 3.262 20 0 EGADRP FC(F)(F)c1ccccc1OCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647990423 461927245 /nfs/dbraw/zinc/92/72/45/461927245.db2.gz ZOSJQOVRVGYIEZ-OAHLLOKOSA-N 2 0 342.405 3.406 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650752616 461932889 /nfs/dbraw/zinc/93/28/89/461932889.db2.gz VMHVHYUFCXIGEA-AWEZNQCLSA-N 2 0 329.419 3.100 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CN1Cc1ccccc1 ZINC000650753751 461934437 /nfs/dbraw/zinc/93/44/37/461934437.db2.gz UZXILFNVCQJJLW-DNVCBOLYSA-N 2 0 327.447 3.037 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000650753507 461935478 /nfs/dbraw/zinc/93/54/78/461935478.db2.gz OTTQCNPPOHADQP-OAHLLOKOSA-N 3 0 345.462 3.076 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000648047956 461958209 /nfs/dbraw/zinc/95/82/09/461958209.db2.gz VJWRVCCLEWNVPW-QUCCMNQESA-N 2 0 332.488 3.018 20 0 EGADRP O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000644513838 461965097 /nfs/dbraw/zinc/96/50/97/461965097.db2.gz XEZAFCLTUVFETM-QFIPXVFZSA-N 2 0 338.495 3.366 20 0 EGADRP CC1(C)CC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC(C)(C)[NH2+]1 ZINC000657292048 462021679 /nfs/dbraw/zinc/02/16/79/462021679.db2.gz CVOKFPSWIZQXDN-GOSISDBHSA-N 2 0 332.488 3.253 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657300290 462027793 /nfs/dbraw/zinc/02/77/93/462027793.db2.gz LAVKTIACEXUXLS-NRFANRHFSA-N 2 0 340.467 3.206 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657314183 462039647 /nfs/dbraw/zinc/03/96/47/462039647.db2.gz XKJNFFFTNFIPLJ-UEXGIBASSA-N 2 0 346.515 3.312 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639703695 462067136 /nfs/dbraw/zinc/06/71/36/462067136.db2.gz LPSIAVNFBOZBRC-UHFFFAOYSA-N 2 0 347.466 3.039 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc21 ZINC000657367445 462076436 /nfs/dbraw/zinc/07/64/36/462076436.db2.gz OGZGZVIKLDYALW-IRXDYDNUSA-N 2 0 329.488 3.455 20 0 EGADRP C[N@H+](Cc1ccc2c(c1)CCCC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644833916 462098225 /nfs/dbraw/zinc/09/82/25/462098225.db2.gz NDVHTBFZCWNAAT-QFIPXVFZSA-N 2 0 341.543 3.166 20 0 EGADRP CC[C@@H](C)[N@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661110459 462107501 /nfs/dbraw/zinc/10/75/01/462107501.db2.gz YKVQFETUIVAHLZ-QGZVFWFLSA-N 2 0 331.504 3.019 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000648438598 462119997 /nfs/dbraw/zinc/11/99/97/462119997.db2.gz MSKGNMVIXWMZJV-WOJBJXKFSA-N 2 0 346.515 3.454 20 0 EGADRP CCc1cccc2cc(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)oc21 ZINC000657438846 462124793 /nfs/dbraw/zinc/12/47/93/462124793.db2.gz PRVDIMFNPZLQML-MRXNPFEDSA-N 2 0 329.488 3.111 20 0 EGADRP Fc1ccc(CN2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1F ZINC000667565582 462145696 /nfs/dbraw/zinc/14/56/96/462145696.db2.gz ZWZWPTSFLQHAIE-UHFFFAOYSA-N 2 0 342.405 3.038 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000648491772 462145954 /nfs/dbraw/zinc/14/59/54/462145954.db2.gz DEFBPBLVDIUYBJ-PMACEKPBSA-N 2 0 346.515 3.251 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)C[C@H]1C ZINC000667664830 462199387 /nfs/dbraw/zinc/19/93/87/462199387.db2.gz UENOTVZBGOTSHP-KPFFTGBYSA-N 2 0 332.488 3.159 20 0 EGADRP Cc1cccc2ncc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)n21 ZINC000657613843 462204386 /nfs/dbraw/zinc/20/43/86/462204386.db2.gz SUIAUPKWZYREEI-UHFFFAOYSA-N 2 0 349.482 3.040 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667729567 462234693 /nfs/dbraw/zinc/23/46/93/462234693.db2.gz NDSZJDPANMIAAT-UHFFFAOYSA-N 2 0 340.471 3.261 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000667854262 462295734 /nfs/dbraw/zinc/29/57/34/462295734.db2.gz GIPIULZYTLQKSA-APWZRJJASA-N 2 0 344.503 3.312 20 0 EGADRP c1c2cnccc2oc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000651757751 462327536 /nfs/dbraw/zinc/32/75/36/462327536.db2.gz BXPGMDDJIKXCSL-UHFFFAOYSA-N 2 0 343.471 3.152 20 0 EGADRP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000657969338 462332239 /nfs/dbraw/zinc/33/22/39/462332239.db2.gz NDXXRCXXFASHEA-ZGXWSNOMSA-N 2 0 328.500 3.168 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000658068418 462365896 /nfs/dbraw/zinc/36/58/96/462365896.db2.gz FCVSTSUTWVZWCV-HZPDHXFCSA-N 2 0 335.923 3.486 20 0 EGADRP COc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069333 462366693 /nfs/dbraw/zinc/36/66/93/462366693.db2.gz NDAKMCOPPHFAJE-HXUWFJFHSA-N 2 0 344.499 3.163 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000665292772 462389345 /nfs/dbraw/zinc/38/93/45/462389345.db2.gz JHMLJMRAHSPKOH-IBGZPJMESA-N 2 0 342.487 3.425 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1(CO)CC1 ZINC000658157336 462410265 /nfs/dbraw/zinc/41/02/65/462410265.db2.gz YPKRJVGHTGEGCE-IJXRJRJASA-N 2 0 328.500 3.038 20 0 EGADRP [NH3+][C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000649332384 462480615 /nfs/dbraw/zinc/48/06/15/462480615.db2.gz XTMDQOPLJPXOND-KRWDZBQOSA-N 2 0 337.895 3.112 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000649340667 462481650 /nfs/dbraw/zinc/48/16/50/462481650.db2.gz UISCTVHCXNHVCY-LEWJYISDSA-N 2 0 329.532 3.456 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000646105826 462518750 /nfs/dbraw/zinc/51/87/50/462518750.db2.gz JDXBTNKOPNFHGF-LJQANCHMSA-N 2 0 343.515 3.019 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000191454054 529039497 /nfs/dbraw/zinc/03/94/97/529039497.db2.gz SYJUFRDGHTZFFR-INIZCTEOSA-N 2 0 339.474 3.374 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000154226148 529145359 /nfs/dbraw/zinc/14/53/59/529145359.db2.gz GEIADXYFBDTSTB-OXJNMPFZSA-N 2 0 333.495 3.066 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000154226386 529145549 /nfs/dbraw/zinc/14/55/49/529145549.db2.gz GEIADXYFBDTSTB-OXQOHEQNSA-N 2 0 333.495 3.066 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187857021 529148120 /nfs/dbraw/zinc/14/81/20/529148120.db2.gz NOHVBKGUQHYGTH-IAGOWNOFSA-N 2 0 337.939 3.307 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000246878891 534957415 /nfs/dbraw/zinc/95/74/15/534957415.db2.gz DWINREUUQLBBGP-HUUCEWRRSA-N 2 0 336.476 3.095 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000236638990 535281850 /nfs/dbraw/zinc/28/18/50/535281850.db2.gz PJMJQTUGNXWUIT-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264962830 535501780 /nfs/dbraw/zinc/50/17/80/535501780.db2.gz ZYEBRCFHUCKTEL-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000353475344 535925843 /nfs/dbraw/zinc/92/58/43/535925843.db2.gz XEPYDWSOZYHZIB-OALUTQOASA-N 2 0 329.488 3.245 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000119796863 546708152 /nfs/dbraw/zinc/70/81/52/546708152.db2.gz IAIBZRHSJHXQKL-XLIONFOSSA-N 2 0 346.515 3.373 20 0 EGADRP CCC[NH+]1CCC([NH2+]Cc2ccccc2-n2nc(C)cc2C)CC1 ZINC000123490260 546740032 /nfs/dbraw/zinc/74/00/32/546740032.db2.gz PZEKVHNBIRACMA-UHFFFAOYSA-N 2 0 326.488 3.453 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC[NH+](C)CC1 ZINC000125539934 546752512 /nfs/dbraw/zinc/75/25/12/546752512.db2.gz VYHGWVULUCZKST-MRXNPFEDSA-N 2 0 335.561 3.280 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904403 546763973 /nfs/dbraw/zinc/76/39/73/546763973.db2.gz GXSZBARNZJRSAL-SJORKVTESA-N 2 0 335.561 3.280 20 0 EGADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C1CC[NH+](C)CC1 ZINC000152073717 546864768 /nfs/dbraw/zinc/86/47/68/546864768.db2.gz LDKWOOYPKPNKEJ-MRXNPFEDSA-N 2 0 334.479 3.194 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC[NH+](C)CC1 ZINC000157532477 546920984 /nfs/dbraw/zinc/92/09/84/546920984.db2.gz WVQUCULPDDFAEQ-QGZVFWFLSA-N 2 0 339.483 3.481 20 0 EGADRP CCC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161594812 546958538 /nfs/dbraw/zinc/95/85/38/546958538.db2.gz AXVJNWZAEJSQGT-GHTZIAJQSA-N 2 0 329.532 3.361 20 0 EGADRP O=C(Nc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)C1CCC1 ZINC000166065507 546988404 /nfs/dbraw/zinc/98/84/04/546988404.db2.gz QOKIIWRHCTXLTB-PKOBYXMFSA-N 2 0 327.472 3.142 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166626759 546989596 /nfs/dbraw/zinc/98/95/96/546989596.db2.gz YHXAFNJHSSXPJX-DUXKGJEZSA-N 2 0 327.516 3.428 20 0 EGADRP CCc1nn(C)cc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000180026395 547052147 /nfs/dbraw/zinc/05/21/47/547052147.db2.gz CUGVRTXETKMZJV-UHFFFAOYSA-N 2 0 340.515 3.327 20 0 EGADRP CCOC[C@@H]1CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000245696374 547267834 /nfs/dbraw/zinc/26/78/34/547267834.db2.gz SFHCCKPRXNUXSU-VAMGGRTRSA-N 2 0 340.552 3.262 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000310105352 547461749 /nfs/dbraw/zinc/46/17/49/547461749.db2.gz ZVTAWAYTXSJABZ-NJYVYQBISA-N 2 0 327.516 3.115 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339073987 547568896 /nfs/dbraw/zinc/56/88/96/547568896.db2.gz HOMPOABNAHLMFJ-MOPGFXCFSA-N 2 0 332.463 3.090 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000339239531 547571096 /nfs/dbraw/zinc/57/10/96/547571096.db2.gz ZNVGWJBOSUVBEC-DLBZAZTESA-N 2 0 349.544 3.266 20 0 EGADRP Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000339278993 547574206 /nfs/dbraw/zinc/57/42/06/547574206.db2.gz NSKCZVDBVQLAAN-KRWDZBQOSA-N 2 0 347.503 3.138 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348100154 547626861 /nfs/dbraw/zinc/62/68/61/547626861.db2.gz FBJKPTSLZAIIML-NHCUHLMSSA-N 2 0 327.516 3.102 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000398106989 547836643 /nfs/dbraw/zinc/83/66/43/547836643.db2.gz MXLWDQCFMWSHAT-RSRIQPTJSA-N 2 0 327.516 3.160 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000414946808 547862593 /nfs/dbraw/zinc/86/25/93/547862593.db2.gz KDXUJZWJPMGSBQ-DGCLKSJQSA-N 2 0 334.261 3.227 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474726098 547954390 /nfs/dbraw/zinc/95/43/90/547954390.db2.gz DVTOELUBFLVNHC-NJINODPHSA-N 2 0 349.485 3.217 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)c1OC ZINC000673605064 548581290 /nfs/dbraw/zinc/58/12/90/548581290.db2.gz GOMJGBQHNRKANS-KRWDZBQOSA-N 2 0 334.504 3.470 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000673652009 548589956 /nfs/dbraw/zinc/58/99/56/548589956.db2.gz XKKRLAPXQLLFOS-PMACEKPBSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000678295885 549463199 /nfs/dbraw/zinc/46/31/99/549463199.db2.gz KVHQMLDRZPATQY-IFMALSPDSA-N 2 0 341.543 3.281 20 0 EGADRP CCc1nn(C)cc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000678361213 549476305 /nfs/dbraw/zinc/47/63/05/549476305.db2.gz SPXKSBLYUGXCTI-IEBWSBKVSA-N 2 0 340.515 3.373 20 0 EGADRP C[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)C1CC[NH+](C)CC1 ZINC000678591239 549526295 /nfs/dbraw/zinc/52/62/95/549526295.db2.gz KLTOKCQMYFUOLB-CQSZACIVSA-N 2 0 330.501 3.068 20 0 EGADRP C[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000678595839 549527565 /nfs/dbraw/zinc/52/75/65/549527565.db2.gz KDDCHDASHZJGAU-QGZVFWFLSA-N 2 0 334.504 3.220 20 0 EGADRP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719023 549547777 /nfs/dbraw/zinc/54/77/77/549547777.db2.gz FVNOPJLAQLZZLT-FQEVSTJZSA-N 2 0 345.531 3.074 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678765901 549555950 /nfs/dbraw/zinc/55/59/50/549555950.db2.gz IQQLDSNGJRPBGX-RXVVDRJESA-N 2 0 329.532 3.317 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000678929515 549597345 /nfs/dbraw/zinc/59/73/45/549597345.db2.gz ODSYVSLCMIRVGC-KRWDZBQOSA-N 2 0 342.483 3.013 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000680055225 549812791 /nfs/dbraw/zinc/81/27/91/549812791.db2.gz PIKVXBDUBXOMKB-SFHVURJKSA-N 2 0 338.499 3.068 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000680140310 549826629 /nfs/dbraw/zinc/82/66/29/549826629.db2.gz BGMKDNQQDBJMFX-OALUTQOASA-N 2 0 346.515 3.456 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000681256725 549974028 /nfs/dbraw/zinc/97/40/28/549974028.db2.gz NTYVKFFXIDPVHT-PKOBYXMFSA-N 2 0 345.531 3.497 20 0 EGADRP COc1cc(C)c([C@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000682071519 550068115 /nfs/dbraw/zinc/06/81/15/550068115.db2.gz OWCMNJQVAVAXMN-OALUTQOASA-N 2 0 345.531 3.085 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000682089645 550072669 /nfs/dbraw/zinc/07/26/69/550072669.db2.gz OZAGMWFHZFJDSS-LJQANCHMSA-N 2 0 344.430 3.380 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C(F)(F)F)s3)C2)CC1 ZINC000683202514 550203581 /nfs/dbraw/zinc/20/35/81/550203581.db2.gz RSOLXDPQCWOICR-GFCCVEGCSA-N 2 0 347.450 3.025 20 0 EGADRP c1c2ccccc2[nH]c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000684021235 550282847 /nfs/dbraw/zinc/28/28/47/550282847.db2.gz TUWZKXIYQGOKJM-UHFFFAOYSA-N 2 0 327.472 3.102 20 0 EGADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684147929 550296325 /nfs/dbraw/zinc/29/63/25/550296325.db2.gz AQYHMZHJEBTFJZ-AZUAARDMSA-N 2 0 346.515 3.287 20 0 EGADRP Oc1cccc2c(N3CCC(OCC[NH+]4CCCC4)CC3)cc[nH+]c12 ZINC000684574446 550345149 /nfs/dbraw/zinc/34/51/49/550345149.db2.gz JPSSRUFGRCFREX-UHFFFAOYSA-N 2 0 341.455 3.022 20 0 EGADRP CCc1[nH+]c2ccccc2c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1C ZINC000684891275 550381218 /nfs/dbraw/zinc/38/12/18/550381218.db2.gz LIFAHLRYYIMGNN-QGZVFWFLSA-N 2 0 339.483 3.193 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000685455674 550418199 /nfs/dbraw/zinc/41/81/99/550418199.db2.gz HSCKSPWALXPVDV-CLAROIROSA-N 2 0 341.543 3.217 20 0 EGADRP CC(C)c1ccc(CC[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457162 550418785 /nfs/dbraw/zinc/41/87/85/550418785.db2.gz HOKAIWTVZDXBKH-JOCHJYFZSA-N 2 0 343.559 3.453 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000728571322 574759275 /nfs/dbraw/zinc/75/92/75/574759275.db2.gz BJYZTPSVVXYOHF-QGZVFWFLSA-N 2 0 326.431 3.050 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000729265970 574834710 /nfs/dbraw/zinc/83/47/10/574834710.db2.gz ODWINNDYGXONIV-INIZCTEOSA-N 2 0 339.483 3.440 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000731868855 575216657 /nfs/dbraw/zinc/21/66/57/575216657.db2.gz ACICNAXAWFIIQP-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC(C[NH+](C)C)CC3)cc(=O)oc2c1C ZINC000732569658 575276938 /nfs/dbraw/zinc/27/69/38/575276938.db2.gz USUBOJOROBBQBD-UHFFFAOYSA-N 2 0 328.456 3.183 20 0 EGADRP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000733798104 575397817 /nfs/dbraw/zinc/39/78/17/575397817.db2.gz JOWNPPQRTCNAGS-AWEZNQCLSA-N 2 0 331.460 3.473 20 0 EGADRP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000305892780 1297064751 /nfs/dbraw/zinc/06/47/51/1297064751.db2.gz OMHMJSJJPJABRI-HZPDHXFCSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000695193339 1298157781 /nfs/dbraw/zinc/15/77/81/1298157781.db2.gz QWAZOQYJGNQSKU-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000048779485 1291618277 /nfs/dbraw/zinc/61/82/77/1291618277.db2.gz QIUDZOSUUOXICP-OAHLLOKOSA-N 2 0 330.451 3.427 20 0 EGADRP C[N@H+](CCOc1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC000063121421 1291999910 /nfs/dbraw/zinc/99/99/10/1291999910.db2.gz LYZZPTDOLCPJPV-UHFFFAOYSA-N 2 0 341.293 3.102 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cccnc3)CC2)cc1 ZINC000063319607 1292007391 /nfs/dbraw/zinc/00/73/91/1292007391.db2.gz MXKFZDWLJUCWOB-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000075780959 1292411324 /nfs/dbraw/zinc/41/13/24/1292411324.db2.gz KWVBMPIJWLPCLZ-IBGZPJMESA-N 2 0 338.499 3.122 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2nc3ccccc3n2C)CC1 ZINC000080397630 1292600167 /nfs/dbraw/zinc/60/01/67/1292600167.db2.gz CDDVGRSQEJPBHN-UHFFFAOYSA-N 2 0 328.504 3.421 20 0 EGADRP CO[C@@H](C)C[NH+](C)Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)OC)c1 ZINC000829767617 1292616732 /nfs/dbraw/zinc/61/67/32/1292616732.db2.gz AEZDYCGEAUMRFQ-GJZGRUSLSA-N 2 0 342.911 3.273 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831088532 1292807588 /nfs/dbraw/zinc/80/75/88/1292807588.db2.gz CJKUBASXRWQYLI-WZOJCFFYSA-N 2 0 335.536 3.197 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)ccc2OC)c1 ZINC000105449573 1293037410 /nfs/dbraw/zinc/03/74/10/1293037410.db2.gz GNSYBVXJVGNXQC-UHFFFAOYSA-N 2 0 328.456 3.445 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)cc2OC)c1 ZINC000105449592 1293037897 /nfs/dbraw/zinc/03/78/97/1293037897.db2.gz UFHXMSPWCKHRIJ-UHFFFAOYSA-N 2 0 328.456 3.445 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(F)c3)cc2)CC1 ZINC000105495755 1293041708 /nfs/dbraw/zinc/04/17/08/1293041708.db2.gz XBAHBQGDTZWVRM-UHFFFAOYSA-N 2 0 328.431 3.072 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000120813266 1293340575 /nfs/dbraw/zinc/34/05/75/1293340575.db2.gz UHAPTZDMAZUORE-LJQANCHMSA-N 2 0 326.488 3.330 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122003244 1293398899 /nfs/dbraw/zinc/39/88/99/1293398899.db2.gz FOIDAWWCMAQZRN-IAGOWNOFSA-N 2 0 339.524 3.144 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122003462 1293398941 /nfs/dbraw/zinc/39/89/41/1293398941.db2.gz FOIDAWWCMAQZRN-DLBZAZTESA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H](Cc1cccc(Br)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126395848 1293532988 /nfs/dbraw/zinc/53/29/88/1293532988.db2.gz OLFJHWNQCUXYKC-CYBMUJFWSA-N 2 0 325.294 3.312 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000128587952 1293598541 /nfs/dbraw/zinc/59/85/41/1293598541.db2.gz LOKFYBQTQVMHJN-MRXNPFEDSA-N 2 0 344.330 3.355 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000128780631 1293604197 /nfs/dbraw/zinc/60/41/97/1293604197.db2.gz ULLSDKKGNFDNSI-UHFFFAOYSA-N 2 0 327.472 3.062 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000132619880 1293724547 /nfs/dbraw/zinc/72/45/47/1293724547.db2.gz CIDMJQMGTDFHHO-QGZVFWFLSA-N 2 0 339.524 3.242 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(C)cn3)CC2)cc1 ZINC000134256080 1293768113 /nfs/dbraw/zinc/76/81/13/1293768113.db2.gz PHEFKCMYPMWYLZ-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000136589588 1293818523 /nfs/dbraw/zinc/81/85/23/1293818523.db2.gz GJSOHVUCAARPOB-NHCUHLMSSA-N 2 0 330.516 3.469 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000151939538 1293945398 /nfs/dbraw/zinc/94/53/98/1293945398.db2.gz SVPPTTSRNCLDRZ-HNNXBMFYSA-N 2 0 330.451 3.426 20 0 EGADRP CCC(CC)(C[NH2+][C@@H](C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000154589161 1294062615 /nfs/dbraw/zinc/06/26/15/1294062615.db2.gz IBHNVHXNVWHVBK-HNNXBMFYSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4cnccn34)cc2)C1 ZINC000156608905 1294150958 /nfs/dbraw/zinc/15/09/58/1294150958.db2.gz FZUMEEHXGWCKNT-QGZVFWFLSA-N 2 0 349.482 3.251 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC000157358735 1294175436 /nfs/dbraw/zinc/17/54/36/1294175436.db2.gz QRPMZZKJMLYZNJ-DLBZAZTESA-N 2 0 334.504 3.489 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC000158746202 1294213366 /nfs/dbraw/zinc/21/33/66/1294213366.db2.gz JGDVEDDPVFVCHF-INIZCTEOSA-N 2 0 329.488 3.484 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000168512728 1294367481 /nfs/dbraw/zinc/36/74/81/1294367481.db2.gz UYHVGQPFFFMGHO-NBYUQASBSA-N 2 0 343.515 3.015 20 0 EGADRP CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000182959198 1295086722 /nfs/dbraw/zinc/08/67/22/1295086722.db2.gz PJIRNWFMABBIFR-QFBILLFUSA-N 2 0 334.504 3.493 20 0 EGADRP Clc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)ccn1 ZINC000182973595 1295088438 /nfs/dbraw/zinc/08/84/38/1295088438.db2.gz HOTJJDQUKJVJAZ-UHFFFAOYSA-N 2 0 337.895 3.059 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870867416 1296121128 /nfs/dbraw/zinc/12/11/28/1296121128.db2.gz LMPVOGAPJABUPS-MBOZVWFJSA-N 2 0 343.515 3.195 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000236778055 1296203163 /nfs/dbraw/zinc/20/31/63/1296203163.db2.gz LXAUKHFIAHBHKD-INIZCTEOSA-N 2 0 330.394 3.203 20 0 EGADRP COc1cc2c(c(C[NH2+]Cc3cccc(C[NH+](C)C)c3)c1)O[C@H](C)C2 ZINC000237477626 1296246534 /nfs/dbraw/zinc/24/65/34/1296246534.db2.gz XDDCPRJSQLGINQ-OAHLLOKOSA-N 2 0 340.467 3.370 20 0 EGADRP Cc1noc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237632452 1296253841 /nfs/dbraw/zinc/25/38/41/1296253841.db2.gz QAWSKHOALHBKJP-GASCZTMLSA-N 2 0 343.471 3.190 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCCCCC3)c2)C1 ZINC000237933467 1296272347 /nfs/dbraw/zinc/27/23/47/1296272347.db2.gz IRQOVZAPFGXVPJ-IBGZPJMESA-N 2 0 343.515 3.196 20 0 EGADRP [NH3+]CCCCCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000238008027 1296276128 /nfs/dbraw/zinc/27/61/28/1296276128.db2.gz HTGFXGZMNQNGON-UHFFFAOYSA-N 2 0 335.517 3.083 20 0 EGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247560746 1296397276 /nfs/dbraw/zinc/39/72/76/1296397276.db2.gz QSYXDZLRZPPECC-IAGOWNOFSA-N 2 0 339.524 3.050 20 0 EGADRP c1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)ccc1C[NH+]1CCCC1 ZINC000871793674 1296535439 /nfs/dbraw/zinc/53/54/39/1296535439.db2.gz AZTZKBXRURJLMH-AYHJJNSGSA-N 2 0 338.455 3.330 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000262003859 1296614160 /nfs/dbraw/zinc/61/41/60/1296614160.db2.gz QTSCWLDLTSAROJ-UHFFFAOYSA-N 2 0 329.444 3.172 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000262547965 1296639125 /nfs/dbraw/zinc/63/91/25/1296639125.db2.gz NPNRYXBXCIYSJI-CDHQVMDDSA-N 2 0 339.483 3.262 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872018324 1296659959 /nfs/dbraw/zinc/65/99/59/1296659959.db2.gz KNQWTOOVGXBCOK-QGZVFWFLSA-N 2 0 333.545 3.229 20 0 EGADRP CN(Cc1ccccc1)C1(C[NH2+]C2CCN(C=O)CC2)CCCCC1 ZINC000872123333 1296748327 /nfs/dbraw/zinc/74/83/27/1296748327.db2.gz ULJRVFMPRSFBAT-UHFFFAOYSA-N 2 0 343.515 3.032 20 0 EGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1)C1CCCC1 ZINC000872156597 1296777842 /nfs/dbraw/zinc/77/78/42/1296777842.db2.gz ACOUJQNKHBYYDX-IEBWSBKVSA-N 2 0 335.536 3.009 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301219356 1296785995 /nfs/dbraw/zinc/78/59/95/1296785995.db2.gz CFDIREJCBYJDQM-IRXDYDNUSA-N 2 0 339.524 3.240 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314603 1296786983 /nfs/dbraw/zinc/78/69/83/1296786983.db2.gz NNFQOWJWFMOHFH-IAGOWNOFSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000305133365 1296985871 /nfs/dbraw/zinc/98/58/71/1296985871.db2.gz NDBDMNDUGPIVRW-IXDOHACOSA-N 2 0 339.524 3.144 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592290 1297019354 /nfs/dbraw/zinc/01/93/54/1297019354.db2.gz XLFOMDKAHWJLRX-APWZRJJASA-N 2 0 328.435 3.063 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(O)CCC2)cc1C[NH+]1CCCCC1 ZINC000305781524 1297049945 /nfs/dbraw/zinc/04/99/45/1297049945.db2.gz URQOLSQLLODXKF-MRXNPFEDSA-N 2 0 332.488 3.247 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000310053357 1297085130 /nfs/dbraw/zinc/08/51/30/1297085130.db2.gz NXISXXJWCBYRKX-NVXWUHKLSA-N 2 0 339.524 3.049 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873101657 1297273045 /nfs/dbraw/zinc/27/30/45/1297273045.db2.gz GPZSDAYHENGTDH-HXUWFJFHSA-N 2 0 347.462 3.091 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000345788060 1297338848 /nfs/dbraw/zinc/33/88/48/1297338848.db2.gz CFINRUKTJOSVMQ-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccccc2)O1 ZINC000873204002 1297350857 /nfs/dbraw/zinc/35/08/57/1297350857.db2.gz VZCKMPDJXKATET-KSSFIOAISA-N 2 0 328.481 3.356 20 0 EGADRP Clc1ccccc1[C@H]1C[NH2+]CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208201 1297352387 /nfs/dbraw/zinc/35/23/87/1297352387.db2.gz DXVVZDRIEJCOOK-QGZVFWFLSA-N 2 0 347.915 3.194 20 0 EGADRP [NH3+]C[C@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc2ccccc2c1 ZINC000873213338 1297355522 /nfs/dbraw/zinc/35/55/22/1297355522.db2.gz VYOCECGSCRNXES-IBGZPJMESA-N 2 0 337.492 3.337 20 0 EGADRP Fc1cc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)ccc1-n1ccnc1 ZINC000873211598 1297356547 /nfs/dbraw/zinc/35/65/47/1297356547.db2.gz PGKVIFMNBHITKK-UHFFFAOYSA-N 2 0 342.443 3.008 20 0 EGADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000873223933 1297363882 /nfs/dbraw/zinc/36/38/82/1297363882.db2.gz VDJUEJASBYLNQN-FQEVSTJZSA-N 2 0 344.478 3.267 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000873238985 1297380365 /nfs/dbraw/zinc/38/03/65/1297380365.db2.gz LDYNQODBRNQORZ-BFYDXBDKSA-N 2 0 331.460 3.201 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000873255513 1297392614 /nfs/dbraw/zinc/39/26/14/1297392614.db2.gz GXCUEEBXENDLOE-PJODQICGSA-N 2 0 335.245 3.458 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000873255451 1297392778 /nfs/dbraw/zinc/39/27/78/1297392778.db2.gz HGPWONCVTXESNZ-SRABZTEZSA-N 2 0 336.451 3.162 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260099 1297394160 /nfs/dbraw/zinc/39/41/60/1297394160.db2.gz SDFBZZQAJOAKKC-UTJXIGIESA-N 2 0 335.879 3.177 20 0 EGADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290070 1297412490 /nfs/dbraw/zinc/41/24/90/1297412490.db2.gz AQGWZROMUHBTKP-MJGOQNOKSA-N 2 0 330.516 3.491 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873291964 1297414620 /nfs/dbraw/zinc/41/46/20/1297414620.db2.gz JHQIVYHCLYZYEP-AQNXPRMDSA-N 2 0 328.500 3.245 20 0 EGADRP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378878434 1297523954 /nfs/dbraw/zinc/52/39/54/1297523954.db2.gz CSUDIXSQZZOJFJ-BBWFWOEESA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000378884851 1297524626 /nfs/dbraw/zinc/52/46/26/1297524626.db2.gz HGVHQNFJSAOHCM-NRFANRHFSA-N 2 0 331.548 3.247 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C12CCC2 ZINC000453107591 1297890463 /nfs/dbraw/zinc/89/04/63/1297890463.db2.gz LLKGCDWIBOZSBC-HSALFYBXSA-N 2 0 328.500 3.098 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000708557547 1298244250 /nfs/dbraw/zinc/24/42/50/1298244250.db2.gz XPBDORMWLGOKDM-SJLPKXTDSA-N 2 0 334.467 3.421 20 0 EGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000713058160 1298267033 /nfs/dbraw/zinc/26/70/33/1298267033.db2.gz KQDKGKTYRAWMAG-HKUYNNGSSA-N 2 0 345.531 3.119 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+](CC)CC ZINC000746177211 1298547832 /nfs/dbraw/zinc/54/78/32/1298547832.db2.gz CXPLLRFIITUSGX-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000876949229 1299083168 /nfs/dbraw/zinc/08/31/68/1299083168.db2.gz OZYAFRXECDELDQ-SESVDKBCSA-N 2 0 327.516 3.284 20 0 EGADRP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000877007109 1299111376 /nfs/dbraw/zinc/11/13/76/1299111376.db2.gz CZNGNYAWQIRQGJ-JKSUJKDBSA-N 2 0 327.299 3.334 20 0 EGADRP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000877007108 1299112052 /nfs/dbraw/zinc/11/20/52/1299112052.db2.gz CZNGNYAWQIRQGJ-HZPDHXFCSA-N 2 0 327.299 3.334 20 0 EGADRP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000877054163 1299135226 /nfs/dbraw/zinc/13/52/26/1299135226.db2.gz FRQKSTWXGIXTPX-UYAOXDASSA-N 2 0 346.515 3.072 20 0 EGADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000749224758 1299169712 /nfs/dbraw/zinc/16/97/12/1299169712.db2.gz WBUBUKFKFCHBQT-FQEVSTJZSA-N 2 0 343.515 3.114 20 0 EGADRP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CCCC1 ZINC000877450191 1299309597 /nfs/dbraw/zinc/30/95/97/1299309597.db2.gz ZFUCVMHDYINOMF-MWDBYQCVSA-N 2 0 347.547 3.053 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCSC(C)(C)C)CC2)CC1 ZINC000878275039 1299885720 /nfs/dbraw/zinc/88/57/20/1299885720.db2.gz ZVOXATAYGHRROO-UHFFFAOYSA-N 2 0 341.609 3.399 20 0 EGADRP CCN(C(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000879246944 1300451751 /nfs/dbraw/zinc/45/17/51/1300451751.db2.gz JYKBEYVNPIHQKF-GOSISDBHSA-N 2 0 343.515 3.236 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760477344 1301279397 /nfs/dbraw/zinc/27/93/97/1301279397.db2.gz YPPFEIOGMXOGJJ-UHFFFAOYSA-N 2 0 348.560 3.157 20 0 EGADRP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000760663950 1301316120 /nfs/dbraw/zinc/31/61/20/1301316120.db2.gz PUANKTSKLGUEAP-GASCZTMLSA-N 2 0 325.884 3.022 20 0 EGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760873783 1301353951 /nfs/dbraw/zinc/35/39/51/1301353951.db2.gz AWFJUOQWKROMJS-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760873784 1301354766 /nfs/dbraw/zinc/35/47/66/1301354766.db2.gz AWFJUOQWKROMJS-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(Br)ncc2F)CC1 ZINC000762750493 1301740928 /nfs/dbraw/zinc/74/09/28/1301740928.db2.gz WIMDRSBILDVGBM-LLVKDONJSA-N 2 0 344.272 3.366 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C1CC[NH+](C)CC1 ZINC000765351695 1302251195 /nfs/dbraw/zinc/25/11/95/1302251195.db2.gz SFRWRPVSHIKKEV-LSDHHAIUSA-N 2 0 331.460 3.024 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H]3CC[C@@H](c4ccccc4)O3)CC2)C1 ZINC000883433219 1302442238 /nfs/dbraw/zinc/44/22/38/1302442238.db2.gz KXYKYKCVZICIMX-CGXNFDGLSA-N 2 0 344.499 3.125 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000883434243 1302443853 /nfs/dbraw/zinc/44/38/53/1302443853.db2.gz KVSSQTLXEJKLHO-MJCUULBUSA-N 2 0 344.499 3.125 20 0 EGADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369465 1302652951 /nfs/dbraw/zinc/65/29/51/1302652951.db2.gz FIUFIBHVJGXFRH-DLBZAZTESA-N 2 0 339.524 3.192 20 0 EGADRP COc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1OC ZINC000768168747 1302842523 /nfs/dbraw/zinc/84/25/23/1302842523.db2.gz MRKPBMLGHYMMDJ-UHFFFAOYSA-N 2 0 328.456 3.397 20 0 EGADRP Cc1c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)sc2nc(C)nc(C)c12 ZINC000768546316 1302932134 /nfs/dbraw/zinc/93/21/34/1302932134.db2.gz JCBFADOBUDHJIZ-HNNXBMFYSA-N 2 0 332.517 3.390 20 0 EGADRP C[C@@H](C(=O)OCC[NH+](C)Cc1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000769110105 1303049748 /nfs/dbraw/zinc/04/97/48/1303049748.db2.gz VZSBCUIEVLVSRT-XHSDSOJGSA-N 2 0 336.451 3.062 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000771791396 1303443307 /nfs/dbraw/zinc/44/33/07/1303443307.db2.gz KNHNUUZGOBZYAN-RDJZCZTQSA-N 2 0 345.512 3.126 20 0 EGADRP C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CC[C@@H]([NH+](C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000886389714 1303453961 /nfs/dbraw/zinc/45/39/61/1303453961.db2.gz VHVVLQMMCSNVTB-PJBUMPDVSA-N 2 0 338.536 3.296 20 0 EGADRP CCNC(=O)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000886503804 1303478861 /nfs/dbraw/zinc/47/88/61/1303478861.db2.gz FKFHXKGXQKUYGE-UHFFFAOYSA-N 2 0 343.515 3.323 20 0 EGADRP Cn1nc2c(c1C[NH2+]C1CCC(C)([NH+]3CCCC3)CC1)CCCC2 ZINC000886612845 1303523336 /nfs/dbraw/zinc/52/33/36/1303523336.db2.gz XGMKUNDVENAIGY-UHFFFAOYSA-N 2 0 330.520 3.186 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000886869690 1303621623 /nfs/dbraw/zinc/62/16/23/1303621623.db2.gz FOONPBQNQPTAER-SFHVURJKSA-N 2 0 335.879 3.134 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)ccc1OC ZINC000775369809 1303948254 /nfs/dbraw/zinc/94/82/54/1303948254.db2.gz RFUKFNGODNXBCM-DLBZAZTESA-N 2 0 344.503 3.473 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)ccc1OC ZINC000775369812 1303948474 /nfs/dbraw/zinc/94/84/74/1303948474.db2.gz RFUKFNGODNXBCM-SJORKVTESA-N 2 0 344.503 3.473 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)ccc1OC ZINC000775386685 1303952329 /nfs/dbraw/zinc/95/23/29/1303952329.db2.gz SWQXCHZQEYFYRM-APWZRJJASA-N 2 0 345.531 3.424 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cc[nH+]1 ZINC000775399841 1303955855 /nfs/dbraw/zinc/95/58/55/1303955855.db2.gz GHNIQIXZBZKGOX-FGTMMUONSA-N 2 0 349.569 3.267 20 0 EGADRP C[C@H]1C[C@@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000777598220 1304323223 /nfs/dbraw/zinc/32/32/23/1304323223.db2.gz MIZPOSNBWGYSSQ-HKUYNNGSSA-N 2 0 331.504 3.446 20 0 EGADRP CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000781896588 1304887456 /nfs/dbraw/zinc/88/74/56/1304887456.db2.gz IJUVJFRKVCXCQO-LJQANCHMSA-N 2 0 341.540 3.391 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000781921368 1304890926 /nfs/dbraw/zinc/89/09/26/1304890926.db2.gz CGJNBPPDKNFINK-IRLDBZIGSA-N 2 0 336.479 3.339 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000782188793 1304928199 /nfs/dbraw/zinc/92/81/99/1304928199.db2.gz PYRCRIARHIPBED-CVEARBPZSA-N 2 0 341.540 3.342 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCc2ccc(F)c(Br)c2)CC1 ZINC000892704117 1305516659 /nfs/dbraw/zinc/51/66/59/1305516659.db2.gz KUEMBEXLIRMQAH-UHFFFAOYSA-N 2 0 329.257 3.062 20 0 EGADRP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000892735378 1305529544 /nfs/dbraw/zinc/52/95/44/1305529544.db2.gz HHAJEHZSWYPUJL-UHFFFAOYSA-N 2 0 344.503 3.311 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786834268 1305638020 /nfs/dbraw/zinc/63/80/20/1305638020.db2.gz REJOXNSAFZXBOG-HNNXBMFYSA-N 2 0 344.503 3.130 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000787302650 1305729833 /nfs/dbraw/zinc/72/98/33/1305729833.db2.gz JPAAHOHJCNTEIR-JBACZVJFSA-N 2 0 348.531 3.063 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nc(Br)ccc1F ZINC000788734966 1306005005 /nfs/dbraw/zinc/00/50/05/1306005005.db2.gz OFPOEJYHJATDAW-LLVKDONJSA-N 2 0 344.272 3.366 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000893971436 1306155560 /nfs/dbraw/zinc/15/55/60/1306155560.db2.gz DXHXCPOGHAVOHR-LBPRGKRZSA-N 2 0 334.851 3.382 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000790747573 1308858199 /nfs/dbraw/zinc/85/81/99/1308858199.db2.gz PMUQMYGTNBZBSI-UHFFFAOYSA-N 2 0 337.508 3.040 20 0 EGADRP Cc1ccc([C@H](O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791622008 1309034585 /nfs/dbraw/zinc/03/45/85/1309034585.db2.gz NWYSOOPYLZDGJF-BHIFYINESA-N 2 0 336.479 3.092 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n(C)n1 ZINC000793538326 1309398040 /nfs/dbraw/zinc/39/80/40/1309398040.db2.gz BLYDFOQOWAVSMT-KRWDZBQOSA-N 2 0 342.487 3.054 20 0 EGADRP COc1cc2c(NC[C@H]3CC[N@@H+]3C3CCOCC3)cc[nH+]c2cc1F ZINC000896521021 1309900536 /nfs/dbraw/zinc/90/05/36/1309900536.db2.gz BMFKOTRCBYQBCA-CQSZACIVSA-N 2 0 345.418 3.048 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@@H]1c1cccs1 ZINC000896642936 1309951752 /nfs/dbraw/zinc/95/17/52/1309951752.db2.gz FMYRBDNFRSIKGQ-HLLBOEOZSA-N 2 0 349.544 3.120 20 0 EGADRP COC(=O)c1ccccc1CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000897310833 1310284028 /nfs/dbraw/zinc/28/40/28/1310284028.db2.gz IBBSJUBEXXQMQH-UHFFFAOYSA-N 2 0 332.488 3.116 20 0 EGADRP CC[NH+](CC)CCCOC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000800174394 1310691959 /nfs/dbraw/zinc/69/19/59/1310691959.db2.gz QUSYIXQRUGISGL-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000898611943 1310803138 /nfs/dbraw/zinc/80/31/38/1310803138.db2.gz YNZCMYMYWSXRCC-LOTPSLMQSA-N 2 0 336.520 3.351 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000929478477 1328609663 /nfs/dbraw/zinc/60/96/63/1328609663.db2.gz AOPJXFMFAQIZAA-LJQANCHMSA-N 2 0 331.504 3.017 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000957286972 1317261304 /nfs/dbraw/zinc/26/13/04/1317261304.db2.gz PWZITVGAONHNBZ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)c1 ZINC000900652290 1317319079 /nfs/dbraw/zinc/31/90/79/1317319079.db2.gz LAVRIRCWGDOBTQ-GOSISDBHSA-N 2 0 331.504 3.016 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1CN([C@H](C)c2ccccc2)C1 ZINC000957420111 1317346764 /nfs/dbraw/zinc/34/67/64/1317346764.db2.gz FTBIUEPCKQOBEF-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC001019774964 1317413717 /nfs/dbraw/zinc/41/37/17/1317413717.db2.gz PJUQQMSYPJRRFR-ROUUACIJSA-N 2 0 349.906 3.077 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCc3nc(Cl)ccc32)C[C@@H](C)O1 ZINC000806134288 1317463637 /nfs/dbraw/zinc/46/36/37/1317463637.db2.gz IOXHLQRXYYUOPF-FMKPAKJESA-N 2 0 337.895 3.201 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605730 1317492846 /nfs/dbraw/zinc/49/28/46/1317492846.db2.gz LAVZXYSXRUKHQA-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605729 1317492925 /nfs/dbraw/zinc/49/29/25/1317492925.db2.gz LAVZXYSXRUKHQA-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000902316973 1317562128 /nfs/dbraw/zinc/56/21/28/1317562128.db2.gz SMZQADKPHNANEM-IBGZPJMESA-N 2 0 333.495 3.158 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000957711038 1317582823 /nfs/dbraw/zinc/58/28/23/1317582823.db2.gz VODPPRGPIQRUST-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001020302848 1317635388 /nfs/dbraw/zinc/63/53/88/1317635388.db2.gz UZUSYLLAHMYTIG-QWFCFKBJSA-N 2 0 343.515 3.031 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957773918 1317636874 /nfs/dbraw/zinc/63/68/74/1317636874.db2.gz YXPGXEVLMGCHOL-IBGZPJMESA-N 2 0 343.515 3.076 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957773883 1317637592 /nfs/dbraw/zinc/63/75/92/1317637592.db2.gz XNRNXZSVPHACGB-HXUWFJFHSA-N 2 0 343.515 3.158 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C2 ZINC000903118440 1317657247 /nfs/dbraw/zinc/65/72/47/1317657247.db2.gz OWELPJNXNCWRCH-LRMKFPBYSA-N 2 0 336.907 3.470 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903165694 1317666719 /nfs/dbraw/zinc/66/67/19/1317666719.db2.gz NQPAKZKKPKXZOT-VZKPYBMVSA-N 2 0 343.515 3.045 20 0 EGADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)C1 ZINC000903435711 1317699575 /nfs/dbraw/zinc/69/95/75/1317699575.db2.gz WRKOGFAUWLRNHD-JLJPHGGASA-N 2 0 344.434 3.183 20 0 EGADRP COCCCC[N@@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725700 1317725989 /nfs/dbraw/zinc/72/59/89/1317725989.db2.gz FTGQGVRVNWBNNX-HXUWFJFHSA-N 2 0 346.515 3.074 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)O1 ZINC000903769195 1317730384 /nfs/dbraw/zinc/73/03/84/1317730384.db2.gz ZMNJLAPXTGXFRK-JYJNAYRXSA-N 2 0 334.426 3.198 20 0 EGADRP Cn1cc(-c2nc(CN3CCCC[C@H]3C3(C[NH3+])CCC3)cs2)cn1 ZINC000903811037 1317736291 /nfs/dbraw/zinc/73/62/91/1317736291.db2.gz JAIFEOQJPGKXMZ-INIZCTEOSA-N 2 0 345.516 3.027 20 0 EGADRP [NH3+]CC1([C@@H]2CCCCN2C[C@@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810371 1317736351 /nfs/dbraw/zinc/73/63/51/1317736351.db2.gz BSLBECTWELWCEB-SJORKVTESA-N 2 0 340.870 3.496 20 0 EGADRP Cc1ccccc1CN1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903880885 1317740161 /nfs/dbraw/zinc/74/01/61/1317740161.db2.gz WRTJLMSSVBIKAD-VCSGRIEYSA-N 2 0 327.516 3.033 20 0 EGADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cnn1C ZINC000903880925 1317740560 /nfs/dbraw/zinc/74/05/60/1317740560.db2.gz XKNPQLFOGATSSS-INIZCTEOSA-N 2 0 346.906 3.164 20 0 EGADRP CCC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCc2ccccc21 ZINC000903883951 1317740609 /nfs/dbraw/zinc/74/06/09/1317740609.db2.gz MVWCQPNVRJFFRV-UWJYYQICSA-N 2 0 340.515 3.245 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939350 1317751551 /nfs/dbraw/zinc/75/15/51/1317751551.db2.gz XKYIVBJRAMOIDA-UHFFFAOYSA-N 2 0 334.895 3.419 20 0 EGADRP c1c(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000903947568 1317753085 /nfs/dbraw/zinc/75/30/85/1317753085.db2.gz AZBFHSXBENQANA-INIZCTEOSA-N 2 0 334.529 3.423 20 0 EGADRP C[NH+](C)CCOc1cccc(-c2noc([C@@H]3CCCCC[C@@H]3[NH3+])n2)c1 ZINC000904093294 1317787432 /nfs/dbraw/zinc/78/74/32/1317787432.db2.gz RBGFFRMROPFLCM-SJORKVTESA-N 2 0 344.459 3.052 20 0 EGADRP C[C@H](O)c1ncc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000809605527 1317841856 /nfs/dbraw/zinc/84/18/56/1317841856.db2.gz DHDKWJKALMECDG-ZNMIVQPWSA-N 2 0 325.522 3.044 20 0 EGADRP Cc1csc(C[C@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904432648 1317845610 /nfs/dbraw/zinc/84/56/10/1317845610.db2.gz DOOSGTWKVVZOQX-CYBMUJFWSA-N 2 0 333.526 3.223 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001020672960 1317848715 /nfs/dbraw/zinc/84/87/15/1317848715.db2.gz BUWHBXQIYCCUMO-IHPCNDPISA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001020672961 1317849597 /nfs/dbraw/zinc/84/95/97/1317849597.db2.gz BUWHBXQIYCCUMO-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(CC(C)(C)C[NH3+])n3)cc2)CC1 ZINC000904667316 1317879874 /nfs/dbraw/zinc/87/98/74/1317879874.db2.gz WDSOAHNEANRQNG-UHFFFAOYSA-N 2 0 342.487 3.496 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001020719776 1317885774 /nfs/dbraw/zinc/88/57/74/1317885774.db2.gz QLXDISYNNBNROU-UAFMIMERSA-N 2 0 347.547 3.211 20 0 EGADRP OCc1cc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC000858347378 1328741722 /nfs/dbraw/zinc/74/17/22/1328741722.db2.gz WYDHGDIVFIJPEM-SFHVURJKSA-N 2 0 331.847 3.476 20 0 EGADRP c1ncc(-c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)o1 ZINC000906541171 1318115092 /nfs/dbraw/zinc/11/50/92/1318115092.db2.gz SMFKFQHFBOZIHH-UHFFFAOYSA-N 2 0 334.423 3.495 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000907089085 1318183337 /nfs/dbraw/zinc/18/33/37/1318183337.db2.gz PZLXUCPITWVVFV-UHFFFAOYSA-N 2 0 347.503 3.078 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCC2)CC[N@@H+]1C ZINC001021360073 1318209792 /nfs/dbraw/zinc/20/97/92/1318209792.db2.gz GYIGZZWNZIPGMX-VJAOCGABSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021470009 1318269451 /nfs/dbraw/zinc/26/94/51/1318269451.db2.gz QZCJEELTMQCUHB-XVLXNVKGSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC000960009290 1318311552 /nfs/dbraw/zinc/31/15/52/1318311552.db2.gz YXRCALPULRQQFD-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000960098972 1318354390 /nfs/dbraw/zinc/35/43/90/1318354390.db2.gz ZUHCALIXPUSSCP-HOJAQTOUSA-N 2 0 343.515 3.203 20 0 EGADRP CN(C)[C@@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC000908497473 1318354516 /nfs/dbraw/zinc/35/45/16/1318354516.db2.gz CWELOTCWPLZJHK-LJQANCHMSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC000960155189 1318388621 /nfs/dbraw/zinc/38/86/21/1318388621.db2.gz DKFNDNUEPVAOPO-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP COC(=O)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)CC(C)C ZINC000813332598 1318536527 /nfs/dbraw/zinc/53/65/27/1318536527.db2.gz CTGAHMJLKDDCAQ-ZIFCJYIRSA-N 2 0 338.536 3.454 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960679224 1318789733 /nfs/dbraw/zinc/78/97/33/1318789733.db2.gz CERVBQSGGQCNTK-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001022077018 1318792658 /nfs/dbraw/zinc/79/26/58/1318792658.db2.gz HSKFJPXMEQBNMV-YSTOQKLRSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1C)[NH+](C)C ZINC000960706488 1318810967 /nfs/dbraw/zinc/81/09/67/1318810967.db2.gz FTXSNRWUJFDQSH-WOJBJXKFSA-N 2 0 345.531 3.066 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960707755 1318813188 /nfs/dbraw/zinc/81/31/88/1318813188.db2.gz IRLIALHOSGOPRW-WOJBJXKFSA-N 2 0 345.531 3.066 20 0 EGADRP C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000960740087 1318843937 /nfs/dbraw/zinc/84/39/37/1318843937.db2.gz RIVBRLXYVIVKHE-IBGZPJMESA-N 2 0 348.450 3.071 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(C)ccc1C)[NH+](C)C ZINC000960868913 1319012920 /nfs/dbraw/zinc/01/29/20/1319012920.db2.gz LYQPVIBYRDPFED-PMACEKPBSA-N 2 0 345.531 3.066 20 0 EGADRP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000815556899 1319014224 /nfs/dbraw/zinc/01/42/24/1319014224.db2.gz IABBFDXQVXQVGW-INIZCTEOSA-N 2 0 342.462 3.132 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)c1cccc(Cl)c1 ZINC001022711885 1319078808 /nfs/dbraw/zinc/07/88/08/1319078808.db2.gz FOXZIQOEFMWLOQ-IHETXDGRSA-N 2 0 349.906 3.122 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC000960979135 1319113045 /nfs/dbraw/zinc/11/30/45/1319113045.db2.gz OURBHIPKHRNFQT-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC001022886681 1319150248 /nfs/dbraw/zinc/15/02/48/1319150248.db2.gz GFDNUADNCXNCOJ-LWYYNNOASA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022958662 1319188641 /nfs/dbraw/zinc/18/86/41/1319188641.db2.gz RRMOOANFYWXVBQ-ZCNNSNEGSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224783 1319352359 /nfs/dbraw/zinc/35/23/59/1319352359.db2.gz FCFUIQHORBQAKN-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)c2cc1C ZINC000817880477 1319452062 /nfs/dbraw/zinc/45/20/62/1319452062.db2.gz VYQCGQZFMHDFFG-UXLLHSPISA-N 2 0 328.456 3.215 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926387 1319462665 /nfs/dbraw/zinc/46/26/65/1319462665.db2.gz HVLRFIJJZOGWQM-RETIQXCHSA-N 2 0 345.270 3.159 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000817948300 1319473737 /nfs/dbraw/zinc/47/37/37/1319473737.db2.gz WUYRVIBTZPSCRX-INIZCTEOSA-N 2 0 325.456 3.003 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023365127 1319476203 /nfs/dbraw/zinc/47/62/03/1319476203.db2.gz XOSHJQNUUUQCSU-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817969687 1319480681 /nfs/dbraw/zinc/48/06/81/1319480681.db2.gz HCFAOSAFTNBOLM-FXUDXRNXSA-N 2 0 325.497 3.024 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC ZINC000817967998 1319481543 /nfs/dbraw/zinc/48/15/43/1319481543.db2.gz FQBASALRHBFNAL-APWZRJJASA-N 3 0 333.520 3.330 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817974563 1319482740 /nfs/dbraw/zinc/48/27/40/1319482740.db2.gz DSPAFLFVGANMBV-BZUAXINKSA-N 2 0 331.460 3.059 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396502 1319503709 /nfs/dbraw/zinc/50/37/09/1319503709.db2.gz RTACGTWXTKIVFQ-MRXNPFEDSA-N 2 0 349.544 3.218 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961376339 1319533233 /nfs/dbraw/zinc/53/32/33/1319533233.db2.gz RYSKHOIABJOEDT-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434298 1319586080 /nfs/dbraw/zinc/58/60/80/1319586080.db2.gz DZWBLHMKPUPODN-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000818971656 1319598500 /nfs/dbraw/zinc/59/85/00/1319598500.db2.gz AKLWWOZFLHUHIJ-BDJLRTHQSA-N 2 0 329.271 3.101 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819151671 1319649450 /nfs/dbraw/zinc/64/94/50/1319649450.db2.gz DKHOMGKRCVUVOD-GUYCJALGSA-N 2 0 328.859 3.080 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000819187396 1319662141 /nfs/dbraw/zinc/66/21/41/1319662141.db2.gz JGLOXYZHFKCYRV-SOAGJPPSSA-N 2 0 334.479 3.492 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CCCC1 ZINC000819226158 1319675416 /nfs/dbraw/zinc/67/54/16/1319675416.db2.gz ATWDIUMBGGKVCN-INIZCTEOSA-N 2 0 344.421 3.450 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000819266102 1319684822 /nfs/dbraw/zinc/68/48/22/1319684822.db2.gz DPEDJINZNNVZDF-QGZVFWFLSA-N 2 0 343.298 3.491 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000820445587 1319890193 /nfs/dbraw/zinc/89/01/93/1319890193.db2.gz GEADBKZINQQRFB-QGZVFWFLSA-N 2 0 331.504 3.105 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023762549 1319907769 /nfs/dbraw/zinc/90/77/69/1319907769.db2.gz ZSHYNJRQSBTEDM-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023762554 1319908269 /nfs/dbraw/zinc/90/82/69/1319908269.db2.gz ZSHYNJRQSBTEDM-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761982 1319908431 /nfs/dbraw/zinc/90/84/31/1319908431.db2.gz OHJICSZAJLZWEQ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc(N2CCCCC2)n1 ZINC000820808137 1319957724 /nfs/dbraw/zinc/95/77/24/1319957724.db2.gz ZCKVBUSMUWZQFN-CTXDPNEZSA-N 2 0 340.515 3.319 20 0 EGADRP C[C@@H](O)C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000820814109 1319959581 /nfs/dbraw/zinc/95/95/81/1319959581.db2.gz FSVLESCWIKFIQH-JPAXMSFJSA-N 2 0 328.500 3.289 20 0 EGADRP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C2 ZINC000820829937 1319964268 /nfs/dbraw/zinc/96/42/68/1319964268.db2.gz NPOZJQQULOZFLZ-BEFAXECRSA-N 2 0 340.467 3.411 20 0 EGADRP O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821891523 1320041121 /nfs/dbraw/zinc/04/11/21/1320041121.db2.gz FYLYTVRZFUBRLW-UHFFFAOYSA-N 2 0 345.487 3.012 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000822490550 1320087777 /nfs/dbraw/zinc/08/77/77/1320087777.db2.gz WRWOVSKAYAWHRD-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP ClC1(Cl)C[C@@H]1CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000822833252 1320128164 /nfs/dbraw/zinc/12/81/64/1320128164.db2.gz ZMIHZFSJTCBNBC-INIZCTEOSA-N 2 0 349.346 3.395 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823742059 1320202967 /nfs/dbraw/zinc/20/29/67/1320202967.db2.gz HMAAXGBXNUKBBG-ARFHVFGLSA-N 2 0 327.513 3.094 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000825126698 1320312802 /nfs/dbraw/zinc/31/28/02/1320312802.db2.gz SCSIKBYSPMNYND-KRWDZBQOSA-N 2 0 348.531 3.495 20 0 EGADRP C[C@](Cc1ccccc1)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000839681145 1320960206 /nfs/dbraw/zinc/96/02/06/1320960206.db2.gz PZJDFRRNEWITOP-FCHUYYIVSA-N 2 0 338.495 3.191 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841032078 1321204486 /nfs/dbraw/zinc/20/44/86/1321204486.db2.gz JMEAVVGTGPNLHS-UTKZUKDTSA-N 3 0 329.532 3.321 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000841081747 1321215535 /nfs/dbraw/zinc/21/55/35/1321215535.db2.gz XZUWNASWJADKCK-CQSZACIVSA-N 2 0 334.895 3.419 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000859213658 1328948345 /nfs/dbraw/zinc/94/83/45/1328948345.db2.gz YNVREUDLWAYNBS-UHFFFAOYSA-N 2 0 347.503 3.047 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000842476382 1321394559 /nfs/dbraw/zinc/39/45/59/1321394559.db2.gz NDYJRWFUEYWGGZ-CQSZACIVSA-N 2 0 332.414 3.448 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843054827 1321462981 /nfs/dbraw/zinc/46/29/81/1321462981.db2.gz JRUKYMAZNKHCIZ-UHFFFAOYSA-N 2 0 325.456 3.459 20 0 EGADRP CCOc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC(=O)CC ZINC000843123485 1321473445 /nfs/dbraw/zinc/47/34/45/1321473445.db2.gz KLOGVFQFHMBYKW-MRXNPFEDSA-N 2 0 334.460 3.104 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCCC[NH3+])c(Cl)c1 ZINC000843126539 1321473885 /nfs/dbraw/zinc/47/38/85/1321473885.db2.gz INQKYQFBSCWWRE-AWEZNQCLSA-N 2 0 325.884 3.474 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000843129840 1321474548 /nfs/dbraw/zinc/47/45/48/1321474548.db2.gz SAPCZDVSOIHPPK-DLBZAZTESA-N 2 0 327.472 3.493 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000843340510 1321502376 /nfs/dbraw/zinc/50/23/76/1321502376.db2.gz RHYYUDVIIQZWIP-JCHJZTRSSA-N 2 0 341.499 3.242 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000843349299 1321503183 /nfs/dbraw/zinc/50/31/83/1321503183.db2.gz SPBZELGLLPALKF-HNNXBMFYSA-N 2 0 331.504 3.243 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843349261 1321503349 /nfs/dbraw/zinc/50/33/49/1321503349.db2.gz PTKIMJAHGKCIJT-HNNXBMFYSA-N 2 0 325.456 3.098 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc([C@H](C)CC)cc2)CC1 ZINC000843352131 1321504346 /nfs/dbraw/zinc/50/43/46/1321504346.db2.gz GLUYLHUEBQQZCN-MRXNPFEDSA-N 2 0 331.504 3.460 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000843352720 1321504379 /nfs/dbraw/zinc/50/43/79/1321504379.db2.gz SMOFDZQDEWCNEI-UHFFFAOYSA-N 2 0 331.504 3.244 20 0 EGADRP CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843358798 1321506113 /nfs/dbraw/zinc/50/61/13/1321506113.db2.gz PAHHWGBDFNHAHG-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCc3cc(C[NH3+])ccc32)o1 ZINC000844164271 1321575092 /nfs/dbraw/zinc/57/50/92/1321575092.db2.gz SGORGWHDTUMCQY-UHFFFAOYSA-N 2 0 341.455 3.173 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(C[NH3+])c1 ZINC000844168311 1321575526 /nfs/dbraw/zinc/57/55/26/1321575526.db2.gz SRQWDOUGKCZJTN-UHFFFAOYSA-N 2 0 341.455 3.118 20 0 EGADRP COc1cc(OC)cc(N2CCC[N@H+](CCCCCCC[NH3+])CC2)c1 ZINC000844221862 1321579791 /nfs/dbraw/zinc/57/97/91/1321579791.db2.gz WQTYPVJDNCFOSO-UHFFFAOYSA-N 2 0 349.519 3.125 20 0 EGADRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000849058048 1322062163 /nfs/dbraw/zinc/06/21/63/1322062163.db2.gz DEQVCFSKBKXCDH-QGZVFWFLSA-N 2 0 348.491 3.151 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000849059578 1322062247 /nfs/dbraw/zinc/06/22/47/1322062247.db2.gz VGFIYGYJKTWTHP-CALCHBBNSA-N 2 0 346.519 3.067 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1Cl ZINC000849074979 1322067372 /nfs/dbraw/zinc/06/73/72/1322067372.db2.gz WDDLTFHOVYQFIQ-CQSZACIVSA-N 2 0 336.911 3.216 20 0 EGADRP COC1CC[NH+](C2(CNC(=[NH2+])Nc3ccccc3)CCCC2)CC1 ZINC000849076204 1322067930 /nfs/dbraw/zinc/06/79/30/1322067930.db2.gz DSYSOSFJMNTQBP-UHFFFAOYSA-N 2 0 330.476 3.046 20 0 EGADRP C[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[NH+]1CCCCC1 ZINC000849083483 1322071342 /nfs/dbraw/zinc/07/13/42/1322071342.db2.gz VGXWXUARXCGDHB-LBPRGKRZSA-N 2 0 344.381 3.396 20 0 EGADRP CSC1(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC[NH+](C)CC1 ZINC000849084868 1322072050 /nfs/dbraw/zinc/07/20/50/1322072050.db2.gz QGVUIJPJSXLLKF-HNNXBMFYSA-N 2 0 328.570 3.143 20 0 EGADRP CC[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[NH+]1CCCC1 ZINC000849083575 1322072306 /nfs/dbraw/zinc/07/23/06/1322072306.db2.gz YYIBXGHSGOJNMP-CYBMUJFWSA-N 2 0 344.381 3.396 20 0 EGADRP CC[NH+](CC)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849089848 1322074237 /nfs/dbraw/zinc/07/42/37/1322074237.db2.gz HBCCURRDKXTLJB-UHFFFAOYSA-N 2 0 330.398 3.051 20 0 EGADRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000849091205 1322075182 /nfs/dbraw/zinc/07/51/82/1322075182.db2.gz ZLFGVTIBTMOEJH-ZDUSSCGKSA-N 2 0 342.409 3.194 20 0 EGADRP [NH2+]=C(NC[C@H]1CSCCN1Cc1ccccc1)N1CCCCCC1 ZINC000849103364 1322079029 /nfs/dbraw/zinc/07/90/29/1322079029.db2.gz PNSFLGRBGGKSSZ-SFHVURJKSA-N 2 0 346.544 3.004 20 0 EGADRP CCC1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000849106963 1322080344 /nfs/dbraw/zinc/08/03/44/1322080344.db2.gz WETHMDKCJOVOOP-UHFFFAOYSA-N 2 0 328.504 3.345 20 0 EGADRP COc1cncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000850015230 1322181425 /nfs/dbraw/zinc/18/14/25/1322181425.db2.gz XYEZTAUPSIKBCD-UHFFFAOYSA-N 2 0 325.456 3.366 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000921544107 1322346974 /nfs/dbraw/zinc/34/69/74/1322346974.db2.gz SIWUDKOMLYILOY-HDICACEKSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C2 ZINC000922387850 1322515485 /nfs/dbraw/zinc/51/54/85/1322515485.db2.gz BQMDFNRXMXEBOH-VXNCWWDNSA-N 2 0 338.442 3.194 20 0 EGADRP Cc1c(Cl)cccc1C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922391136 1322517559 /nfs/dbraw/zinc/51/75/59/1322517559.db2.gz SUNAKIXDWDUWOM-YRXWBPOGSA-N 2 0 336.907 3.218 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922393614 1322517932 /nfs/dbraw/zinc/51/79/32/1322517932.db2.gz MPFHLFJDQUPBTR-MKXGPGLRSA-N 2 0 336.545 3.270 20 0 EGADRP FC(F)(F)[C@@H]1CC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)O1 ZINC000923506819 1322765499 /nfs/dbraw/zinc/76/54/99/1322765499.db2.gz MADCUIDUMYAVSD-BPUTZDHNSA-N 2 0 334.426 3.198 20 0 EGADRP Cc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506973 1322765706 /nfs/dbraw/zinc/76/57/06/1322765706.db2.gz IEFRSZDFRYCGPP-KRWDZBQOSA-N 2 0 329.488 3.035 20 0 EGADRP C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923531386 1322770340 /nfs/dbraw/zinc/77/03/40/1322770340.db2.gz PKGOSINYQCRUSK-GDBMZVCRSA-N 2 0 340.920 3.177 20 0 EGADRP CCOC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924614413 1323076345 /nfs/dbraw/zinc/07/63/45/1323076345.db2.gz ZRJSFEUPHHFJQL-HNNXBMFYSA-N 2 0 333.476 3.020 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001024017529 1323079600 /nfs/dbraw/zinc/07/96/00/1323079600.db2.gz FTIIHSVKOVOZSD-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024024070 1323081680 /nfs/dbraw/zinc/08/16/80/1323081680.db2.gz SLFGCQIYAMZZPH-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ncccc1Cl ZINC000924634170 1323085487 /nfs/dbraw/zinc/08/54/87/1323085487.db2.gz AUKXNUACGJXZGC-KRWDZBQOSA-N 2 0 338.927 3.192 20 0 EGADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924668487 1323104201 /nfs/dbraw/zinc/10/42/01/1323104201.db2.gz QRJOXIJNEPELPP-DOTOQJQBSA-N 2 0 338.927 3.192 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001024160845 1323180071 /nfs/dbraw/zinc/18/00/71/1323180071.db2.gz BNFLWSLRLKVZSH-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP FC(F)(F)c1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852744488 1323234743 /nfs/dbraw/zinc/23/47/43/1323234743.db2.gz BOCKEUOCANQHHS-CJNGLKHVSA-N 2 0 340.389 3.363 20 0 EGADRP COc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cc(=O)oc2c1 ZINC000852759668 1323239427 /nfs/dbraw/zinc/23/94/27/1323239427.db2.gz SCSWQNSVPBYHMD-RDTXWAMCSA-N 2 0 344.455 3.141 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024278726 1323256629 /nfs/dbraw/zinc/25/66/29/1323256629.db2.gz SGWLWIBJLRXPPY-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2cnnc2)c1 ZINC000925085814 1323273097 /nfs/dbraw/zinc/27/30/97/1323273097.db2.gz JPZZCGYDVDWMEV-YJBOKZPZSA-N 2 0 329.492 3.284 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccccn3)c2)CC1 ZINC000853097712 1323280159 /nfs/dbraw/zinc/28/01/59/1323280159.db2.gz HDSXIKSCPRMDRR-OAQYLSRUSA-N 2 0 339.483 3.137 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCCCC2)CC[N@@H+]1C ZINC001024446933 1323406137 /nfs/dbraw/zinc/40/61/37/1323406137.db2.gz LSAZSRMLANNVFX-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024469222 1323425519 /nfs/dbraw/zinc/42/55/19/1323425519.db2.gz QHJQIMAVDSJXAT-MSOLQXFVSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024478938 1323431904 /nfs/dbraw/zinc/43/19/04/1323431904.db2.gz VXDHUPJCTUUQNX-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617460 1323545691 /nfs/dbraw/zinc/54/56/91/1323545691.db2.gz GYHJSKJAJUSYNV-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC1 ZINC001024693106 1323609587 /nfs/dbraw/zinc/60/95/87/1323609587.db2.gz WJZJQSULNPPPED-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCC2)cc1 ZINC001024712319 1323618456 /nfs/dbraw/zinc/61/84/56/1323618456.db2.gz UNAYMFPYXRMLFE-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024820157 1323725781 /nfs/dbraw/zinc/72/57/81/1323725781.db2.gz VXRCQRWAVHCZPO-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001024979890 1323812221 /nfs/dbraw/zinc/81/22/21/1323812221.db2.gz ZMFFLGBDNPMISJ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001024999459 1323817384 /nfs/dbraw/zinc/81/73/84/1323817384.db2.gz WGDAEMKHWJJSFA-WOJBJXKFSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025002867 1323822280 /nfs/dbraw/zinc/82/22/80/1323822280.db2.gz LDROPXSJCACHJY-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485459 1329128526 /nfs/dbraw/zinc/12/85/26/1329128526.db2.gz IZWDLZNRDNSDRZ-ZDUSSCGKSA-N 2 0 330.394 3.155 20 0 EGADRP C[NH+](C)CC1(O)CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000931487240 1329128982 /nfs/dbraw/zinc/12/89/82/1329128982.db2.gz WYLYWOSBHBRLAQ-UHFFFAOYSA-N 2 0 338.904 3.443 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559959 1324407778 /nfs/dbraw/zinc/40/77/78/1324407778.db2.gz YGYIKSDPDIZRRW-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]12 ZINC001026298531 1324710797 /nfs/dbraw/zinc/71/07/97/1324710797.db2.gz NPWPOVISIRUYDR-NZSAHSFTSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001026506688 1324855200 /nfs/dbraw/zinc/85/52/00/1324855200.db2.gz FURFKGONQRUNBE-FAFZWHIHSA-N 2 0 335.536 3.066 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC001026560613 1324896825 /nfs/dbraw/zinc/89/68/25/1324896825.db2.gz YGVREBHISSQJBY-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026572039 1324904808 /nfs/dbraw/zinc/90/48/08/1324904808.db2.gz ZNXGINGKMSHYJS-ACBHZAAOSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026887863 1325063040 /nfs/dbraw/zinc/06/30/40/1325063040.db2.gz WTQVPJYDOFJYDN-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001026916411 1325080726 /nfs/dbraw/zinc/08/07/26/1325080726.db2.gz HKQIEFRQUCBRKS-UYAOXDASSA-N 2 0 345.531 3.088 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963319755 1325105229 /nfs/dbraw/zinc/10/52/29/1325105229.db2.gz UCRVGCQXNBJMJB-CTWPCTMYSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc2c1OCO2 ZINC000925301364 1325118616 /nfs/dbraw/zinc/11/86/16/1325118616.db2.gz UOJHLNQKDIAABU-HNNXBMFYSA-N 2 0 339.439 3.378 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963351377 1325144334 /nfs/dbraw/zinc/14/43/34/1325144334.db2.gz HKOUVDKVAXYVDS-SJLPKXTDSA-N 2 0 347.503 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027014411 1325154951 /nfs/dbraw/zinc/15/49/51/1325154951.db2.gz BMWUSJOXWUDFDS-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925457404 1325158306 /nfs/dbraw/zinc/15/83/06/1325158306.db2.gz TZSAPYSWDAGXJB-ACJLOTCBSA-N 2 0 334.410 3.411 20 0 EGADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)[NH2+]2 ZINC000925471683 1325165034 /nfs/dbraw/zinc/16/50/34/1325165034.db2.gz DFOYTBDKVGNMCI-NCJOTSGUSA-N 2 0 349.469 3.048 20 0 EGADRP CN(C)[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(F)c1 ZINC000925492261 1325175213 /nfs/dbraw/zinc/17/52/13/1325175213.db2.gz GKJOYUCOMYMSOS-WOJBJXKFSA-N 2 0 329.463 3.498 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000925513783 1325186043 /nfs/dbraw/zinc/18/60/43/1325186043.db2.gz LTXMDNVSMMBMQR-WHSGIHJSSA-N 3 0 327.516 3.278 20 0 EGADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925558161 1325207847 /nfs/dbraw/zinc/20/78/47/1325207847.db2.gz NZLYOHZOVQUBPL-PMACEKPBSA-N 2 0 342.531 3.330 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccccc1OC(F)(F)F ZINC000925581202 1325219051 /nfs/dbraw/zinc/21/90/51/1325219051.db2.gz QRFNELRAANDZGF-KKNUOHPOSA-N 2 0 328.378 3.233 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1 ZINC000925594541 1325226619 /nfs/dbraw/zinc/22/66/19/1325226619.db2.gz DIGDYNKEIIGGLQ-HXUWFJFHSA-N 2 0 345.531 3.091 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001027105626 1325229920 /nfs/dbraw/zinc/22/99/20/1325229920.db2.gz OZOWIKZZMOLCLC-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000925610598 1325230425 /nfs/dbraw/zinc/23/04/25/1325230425.db2.gz HVZXMMJDPOOEQR-MOPGFXCFSA-N 2 0 327.472 3.486 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1CC[NH2+]C1(C)C ZINC000925622357 1325234119 /nfs/dbraw/zinc/23/41/19/1325234119.db2.gz KOMBJMTWCZQAJG-IBGZPJMESA-N 2 0 327.472 3.142 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925628711 1325237964 /nfs/dbraw/zinc/23/79/64/1325237964.db2.gz HPJNYVPJYJHUMT-NHCUHLMSSA-N 2 0 338.499 3.345 20 0 EGADRP CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C(=O)NCc1cccs1 ZINC000925713816 1325266917 /nfs/dbraw/zinc/26/69/17/1325266917.db2.gz UNZBEPLAIRLKOX-ZWKOTPCHSA-N 2 0 345.512 3.213 20 0 EGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925831905 1325319928 /nfs/dbraw/zinc/31/99/28/1325319928.db2.gz DVLMXLHGVLFTNH-HRCADAONSA-N 2 0 337.305 3.278 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001027235137 1325328634 /nfs/dbraw/zinc/32/86/34/1325328634.db2.gz LDGZSZKNEHSFHO-FQEVSTJZSA-N 2 0 349.563 3.271 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963907640 1325430072 /nfs/dbraw/zinc/43/00/72/1325430072.db2.gz FVUHYCMERFQDLX-QHGAOEGBSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCCC1 ZINC000856885304 1325538987 /nfs/dbraw/zinc/53/89/87/1325538987.db2.gz VPVPHWDIHCKRHC-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP C[N@H+](CCNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)C1CCCC1 ZINC000857117959 1325574029 /nfs/dbraw/zinc/57/40/29/1325574029.db2.gz XXGGGKBMVUACCC-LJQANCHMSA-N 2 0 343.515 3.100 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411118 1327635850 /nfs/dbraw/zinc/63/58/50/1327635850.db2.gz MRQQSOBHVRHUHU-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@H+](C)CCC3CCCCC3)C2)CCC1 ZINC001027440864 1327679487 /nfs/dbraw/zinc/67/94/87/1327679487.db2.gz MTOUVJBIFJVHAR-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927062061 1327836156 /nfs/dbraw/zinc/83/61/56/1327836156.db2.gz XDNYPJJKEFKGLP-ONSCTEFMSA-N 2 0 344.499 3.169 20 0 EGADRP CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542506 1327844125 /nfs/dbraw/zinc/84/41/25/1327844125.db2.gz MEQSKXLLTUKJMS-RTBURBONSA-N 2 0 335.536 3.116 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027545624 1327850141 /nfs/dbraw/zinc/85/01/41/1327850141.db2.gz CIOSGVVSBGNNMD-GOSISDBHSA-N 2 0 347.503 3.068 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001027547432 1327851737 /nfs/dbraw/zinc/85/17/37/1327851737.db2.gz SABYGFPOJXSDSQ-IHPCNDPISA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCC2)C1 ZINC001027647249 1328026778 /nfs/dbraw/zinc/02/67/78/1328026778.db2.gz MDRYQMYUWUDIIT-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027918124 1328395216 /nfs/dbraw/zinc/39/52/16/1328395216.db2.gz KHAFZKGSKZIETJ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027918259 1328396586 /nfs/dbraw/zinc/39/65/86/1328396586.db2.gz LNNYTUDOQVPVSU-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929874 1328408949 /nfs/dbraw/zinc/40/89/49/1328408949.db2.gz KNQMZQHEVMVOKS-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027931774 1328409960 /nfs/dbraw/zinc/40/99/60/1328409960.db2.gz KJMHKVMMKCMZHW-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(=O)n1ncc2ccc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)cc21 ZINC000863713426 1329576408 /nfs/dbraw/zinc/57/64/08/1329576408.db2.gz AJGBPHVYCMWGJO-UHFFFAOYSA-N 2 0 348.450 3.287 20 0 EGADRP CC(C)(C)Oc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000865457837 1329699936 /nfs/dbraw/zinc/69/99/36/1329699936.db2.gz UGUKVHWSWSOEMD-GOSISDBHSA-N 2 0 334.504 3.190 20 0 EGADRP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865484580 1329703881 /nfs/dbraw/zinc/70/38/81/1329703881.db2.gz YYFGTDLJHPXNJU-JKSUJKDBSA-N 2 0 348.441 3.328 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000865717232 1329732165 /nfs/dbraw/zinc/73/21/65/1329732165.db2.gz SSCLNCSYHZAZEI-NRFANRHFSA-N 2 0 346.515 3.454 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)o1)C(C)(C)C ZINC000932986134 1329853161 /nfs/dbraw/zinc/85/31/61/1329853161.db2.gz KSAKJURPZYZACK-GOSISDBHSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC[N@@H+]1Cc1ccccc1 ZINC000933821255 1329926251 /nfs/dbraw/zinc/92/62/51/1329926251.db2.gz LWQJMOYTNSWSOL-MRXNPFEDSA-N 2 0 348.450 3.300 20 0 EGADRP c1cc(C[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C2CC2)co1 ZINC000934005860 1329939707 /nfs/dbraw/zinc/93/97/07/1329939707.db2.gz TVUQHEZMVPDLSQ-UHFFFAOYSA-N 2 0 326.440 3.276 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000866467543 1330116085 /nfs/dbraw/zinc/11/60/85/1330116085.db2.gz JTRJQXVOOYFZJP-UHFFFAOYSA-N 2 0 336.442 3.323 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940779909 1331190471 /nfs/dbraw/zinc/19/04/71/1331190471.db2.gz HZJJOIKEYZGINA-INIZCTEOSA-N 2 0 349.544 3.050 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)CC2(C)C)CC1 ZINC000940993775 1331288157 /nfs/dbraw/zinc/28/81/57/1331288157.db2.gz NMPGYKMGFKROPE-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093462 1331329581 /nfs/dbraw/zinc/32/95/81/1331329581.db2.gz PZDVRZWYGQYMOW-IBGZPJMESA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942822494 1332042654 /nfs/dbraw/zinc/04/26/54/1332042654.db2.gz LRDKINLRNXYKDG-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943290419 1332139966 /nfs/dbraw/zinc/13/99/66/1332139966.db2.gz XIURFBGWDSLERC-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943516766 1332192080 /nfs/dbraw/zinc/19/20/80/1332192080.db2.gz MQKFFPVICLVFMF-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623132 1332864353 /nfs/dbraw/zinc/86/43/53/1332864353.db2.gz DMONWZSDIZPENQ-KDURUIRLSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCC(C)(C)C ZINC000947505393 1333148992 /nfs/dbraw/zinc/14/89/92/1333148992.db2.gz ARMSLUIBOBOJKS-NVXWUHKLSA-N 2 0 342.487 3.353 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569393 1333175219 /nfs/dbraw/zinc/17/52/19/1333175219.db2.gz XFZPFHQPWFXFRI-PKOBYXMFSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CCC1CC1 ZINC000947801349 1333265271 /nfs/dbraw/zinc/26/52/71/1333265271.db2.gz MSNKQAQAXXQGSI-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372626 1333498987 /nfs/dbraw/zinc/49/89/87/1333498987.db2.gz GGHHZSPLSWULRA-SFHVURJKSA-N 2 0 337.552 3.364 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948439303 1333525832 /nfs/dbraw/zinc/52/58/32/1333525832.db2.gz MHHXEWPYIFIVAI-AZUAARDMSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473791 1333539295 /nfs/dbraw/zinc/53/92/95/1333539295.db2.gz LELRYXIOXOYFCP-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575519 1333582908 /nfs/dbraw/zinc/58/29/08/1333582908.db2.gz ZPPZHMVXKYJOGF-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591482 1333588462 /nfs/dbraw/zinc/58/84/62/1333588462.db2.gz YFITXYRSKYFGCD-SJLPKXTDSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674109 1333623686 /nfs/dbraw/zinc/62/36/86/1333623686.db2.gz PLKOQKMSMLNSGT-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC000948767719 1333670788 /nfs/dbraw/zinc/67/07/88/1333670788.db2.gz ZXXPJVDTWPNOPK-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948775516 1333674581 /nfs/dbraw/zinc/67/45/81/1333674581.db2.gz KIOFNDJSODASOV-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968331962 1335892180 /nfs/dbraw/zinc/89/21/80/1335892180.db2.gz SNHARYFBLOFYGU-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968851727 1336067198 /nfs/dbraw/zinc/06/71/98/1336067198.db2.gz XKONFROGQIJTLH-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CC1CCC1)C12CCC[NH+](CCC1)C2 ZINC000968913224 1336086772 /nfs/dbraw/zinc/08/67/72/1336086772.db2.gz DBKWQHILKPCRPA-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968915302 1336087689 /nfs/dbraw/zinc/08/76/89/1336087689.db2.gz HRTZRNQDPCZUTP-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000969352619 1336202543 /nfs/dbraw/zinc/20/25/43/1336202543.db2.gz HIOUKOXGINJYRX-GOSISDBHSA-N 2 0 338.455 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969794524 1336247995 /nfs/dbraw/zinc/24/79/95/1336247995.db2.gz WPDRRCHLIRKZBE-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969795272 1336248369 /nfs/dbraw/zinc/24/83/69/1336248369.db2.gz DHLLYIOJRZAZHR-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969795271 1336248714 /nfs/dbraw/zinc/24/87/14/1336248714.db2.gz DHLLYIOJRZAZHR-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001005883773 1336415746 /nfs/dbraw/zinc/41/57/46/1336415746.db2.gz GMPSNHZDGORNOM-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005934088 1336425560 /nfs/dbraw/zinc/42/55/60/1336425560.db2.gz KTUDFJNSQHWFLP-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001005993395 1336435474 /nfs/dbraw/zinc/43/54/74/1336435474.db2.gz ASEHOXFELSFICU-JLAWEPINSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006441235 1336506237 /nfs/dbraw/zinc/50/62/37/1336506237.db2.gz CNKWBUQPGHZTER-HDICACEKSA-N 2 0 347.547 3.282 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006445053 1336507674 /nfs/dbraw/zinc/50/76/74/1336507674.db2.gz YUIFNNJLWMDNOY-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001205901790 1370904640 /nfs/dbraw/zinc/90/46/40/1370904640.db2.gz GGXQUMHPMGPKQY-VXGBXAGGSA-N 2 0 336.277 3.490 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001007500817 1336658519 /nfs/dbraw/zinc/65/85/19/1336658519.db2.gz VUDAEOGCIAHUHG-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007499171 1336658610 /nfs/dbraw/zinc/65/86/10/1336658610.db2.gz OLSXSLZVCGPFHR-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001007648955 1336683901 /nfs/dbraw/zinc/68/39/01/1336683901.db2.gz VQCDDZKGDPDPJU-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001008161512 1336782622 /nfs/dbraw/zinc/78/26/22/1336782622.db2.gz HNMVSXKZRYFJPU-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001008299100 1336817967 /nfs/dbraw/zinc/81/79/67/1336817967.db2.gz MGJQEBBKFXQYMM-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008401879 1336843069 /nfs/dbraw/zinc/84/30/69/1336843069.db2.gz XSMKNPKBMRGYSB-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001008529702 1336876651 /nfs/dbraw/zinc/87/66/51/1336876651.db2.gz GEWAWAVYWWHZOW-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759513 1336920950 /nfs/dbraw/zinc/92/09/50/1336920950.db2.gz DEMBRCQYLUBHPJ-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001008771945 1336923973 /nfs/dbraw/zinc/92/39/73/1336923973.db2.gz WOGDQXHFHWOMRX-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773080 1336924352 /nfs/dbraw/zinc/92/43/52/1336924352.db2.gz YGTAGJYBGNLOBU-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)cc1 ZINC001008883423 1336937736 /nfs/dbraw/zinc/93/77/36/1336937736.db2.gz QZPDQWQXCZIEIH-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014399233 1337766913 /nfs/dbraw/zinc/76/69/13/1337766913.db2.gz BQTXJYHUJWSTGF-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015791146 1338311392 /nfs/dbraw/zinc/31/13/92/1338311392.db2.gz BDUKRUYGWDGZIR-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001015930490 1338363520 /nfs/dbraw/zinc/36/35/20/1338363520.db2.gz PFCDBOYNDGPZEN-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016250648 1338524979 /nfs/dbraw/zinc/52/49/79/1338524979.db2.gz DYONKGXIOBAFGX-FXAWDEMLSA-N 2 0 343.515 3.157 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016543062 1338640509 /nfs/dbraw/zinc/64/05/09/1338640509.db2.gz LVMMGGQUXWLLGO-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001016631589 1338669481 /nfs/dbraw/zinc/66/94/81/1338669481.db2.gz WABRABYTMWRCMC-KSZLIROESA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016703342 1338696689 /nfs/dbraw/zinc/69/66/89/1338696689.db2.gz XFAYMUXFFIPWIO-RBUKOAKNSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016830407 1338739876 /nfs/dbraw/zinc/73/98/76/1338739876.db2.gz SAIACOIHMFAAFF-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001016976544 1338789863 /nfs/dbraw/zinc/78/98/63/1338789863.db2.gz ZVGLHDOQAYXERN-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001017246056 1338977125 /nfs/dbraw/zinc/97/71/25/1338977125.db2.gz LOQGOIRUJKPLCZ-GHTZIAJQSA-N 2 0 345.531 3.042 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCCCC1 ZINC001017265803 1338991561 /nfs/dbraw/zinc/99/15/61/1338991561.db2.gz DIFONFCPVZNXTG-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017658610 1339385740 /nfs/dbraw/zinc/38/57/40/1339385740.db2.gz IFURMKBHCUYYCY-VNTMZGSJSA-N 2 0 347.547 3.115 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176737 1339522604 /nfs/dbraw/zinc/52/26/04/1339522604.db2.gz OQOOWLZFNKGGBT-ZGXWSNOMSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCC(C)(C)CC2)CC1 ZINC001028118195 1340439258 /nfs/dbraw/zinc/43/92/58/1340439258.db2.gz XFDGVFLNAWFDBN-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCC2)cc1 ZINC001028202776 1340481992 /nfs/dbraw/zinc/48/19/92/1340481992.db2.gz HJKBPDQZYBOEIX-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028333509 1340571208 /nfs/dbraw/zinc/57/12/08/1340571208.db2.gz MNLLHUGMBRUXGG-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028538027 1340693133 /nfs/dbraw/zinc/69/31/33/1340693133.db2.gz XXUFJYSFKQFHGI-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028647102 1340742463 /nfs/dbraw/zinc/74/24/63/1340742463.db2.gz FIGJGZQXWWGVEG-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845917 1340857220 /nfs/dbraw/zinc/85/72/20/1340857220.db2.gz TXMQKIRCVGLNKA-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001029001816 1340904926 /nfs/dbraw/zinc/90/49/26/1340904926.db2.gz CJKWGUUDQVBKIF-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108192 1340931696 /nfs/dbraw/zinc/93/16/96/1340931696.db2.gz XXLZWLSWZYVDDR-FXAWDEMLSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2C)CC1)[NH+](C)C ZINC001029111937 1340932686 /nfs/dbraw/zinc/93/26/86/1340932686.db2.gz RKBGWARZOPJYOD-FXAWDEMLSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001029145632 1340942729 /nfs/dbraw/zinc/94/27/29/1340942729.db2.gz BXYCDPSADKSYQU-ROUUACIJSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001029173598 1340948553 /nfs/dbraw/zinc/94/85/53/1340948553.db2.gz SDODHILPYXYXRE-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001029473045 1340998243 /nfs/dbraw/zinc/99/82/43/1340998243.db2.gz BFTIIMIZNSXLAP-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029751559 1341063903 /nfs/dbraw/zinc/06/39/03/1341063903.db2.gz XHNKJJFEGLFNEU-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1)CC1CCCCCC1 ZINC001029767947 1341067281 /nfs/dbraw/zinc/06/72/81/1341067281.db2.gz AZHAJBYMYJCPLQ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1)CC1CCCCCC1 ZINC001029767948 1341067421 /nfs/dbraw/zinc/06/74/21/1341067421.db2.gz AZHAJBYMYJCPLQ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029910624 1341113796 /nfs/dbraw/zinc/11/37/96/1341113796.db2.gz STHLVVAOQLRHSY-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001030021609 1341160068 /nfs/dbraw/zinc/16/00/68/1341160068.db2.gz GDMIEPCARLVNMZ-HBFSDRIKSA-N 2 0 345.531 3.285 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001031188395 1341292389 /nfs/dbraw/zinc/29/23/89/1341292389.db2.gz KNNUSFAIOSYWHU-QZTJIDSGSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673612 1341386605 /nfs/dbraw/zinc/38/66/05/1341386605.db2.gz QBWXJMCEDWGNJX-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032043056 1341444951 /nfs/dbraw/zinc/44/49/51/1341444951.db2.gz UDSJPYJUHBZRFZ-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032043057 1341445009 /nfs/dbraw/zinc/44/50/09/1341445009.db2.gz UDSJPYJUHBZRFZ-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001032129032 1341460003 /nfs/dbraw/zinc/46/00/03/1341460003.db2.gz PAQUDMVYYYWTFU-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033083063 1341719227 /nfs/dbraw/zinc/71/92/27/1341719227.db2.gz UGRRULSCBVLIKX-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(CC)CC)C2)C1 ZINC001033353006 1341793412 /nfs/dbraw/zinc/79/34/12/1341793412.db2.gz CHTSOANVYGLIST-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033355263 1341794992 /nfs/dbraw/zinc/79/49/92/1341794992.db2.gz WTPZSVONPWUPTL-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033416997 1341820907 /nfs/dbraw/zinc/82/09/07/1341820907.db2.gz SYWXBKCTLQKCSN-MJGOQNOKSA-N 2 0 343.515 3.012 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033827028 1342028575 /nfs/dbraw/zinc/02/85/75/1342028575.db2.gz YSOZTXBGUAYJJN-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033935869 1342099116 /nfs/dbraw/zinc/09/91/16/1342099116.db2.gz JWZQZAYPOTUZAW-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459151 1356392598 /nfs/dbraw/zinc/39/25/98/1356392598.db2.gz ZUZJZYNLWAZHRP-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045543 1342186071 /nfs/dbraw/zinc/18/60/71/1342186071.db2.gz KVCMTFMZPIVZFN-XLIONFOSSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001034211036 1342320807 /nfs/dbraw/zinc/32/08/07/1342320807.db2.gz KRBBRFAFGPYDCX-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001034215364 1342323062 /nfs/dbraw/zinc/32/30/62/1342323062.db2.gz YIPLBIRCUYFWIG-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034332481 1342406951 /nfs/dbraw/zinc/40/69/51/1342406951.db2.gz ZNBPKZFIOPGCDK-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001034339520 1342413815 /nfs/dbraw/zinc/41/38/15/1342413815.db2.gz HWEZFKUIGOVVPD-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034394294 1342462286 /nfs/dbraw/zinc/46/22/86/1342462286.db2.gz KVXRQTUIVWLHTL-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034432909 1342494970 /nfs/dbraw/zinc/49/49/70/1342494970.db2.gz AASRUUFAYVBDNC-RBUKOAKNSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034438207 1342499982 /nfs/dbraw/zinc/49/99/82/1342499982.db2.gz LMXHTOSJKIEMIP-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCC3CC3)C2)cc1 ZINC001034444938 1342504720 /nfs/dbraw/zinc/50/47/20/1342504720.db2.gz NPVMHMVMQKGBMT-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001034460039 1342515870 /nfs/dbraw/zinc/51/58/70/1342515870.db2.gz BOQWMNKPEWIFKA-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001034460040 1342516275 /nfs/dbraw/zinc/51/62/75/1342516275.db2.gz BOQWMNKPEWIFKA-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529067 1342585500 /nfs/dbraw/zinc/58/55/00/1342585500.db2.gz WBKGANJODDWQLN-UXHICEINSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034537392 1342593266 /nfs/dbraw/zinc/59/32/66/1342593266.db2.gz BCAPJPUYZXUKAS-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034538136 1342594435 /nfs/dbraw/zinc/59/44/35/1342594435.db2.gz JCMRDWXZCGSEFD-QZTJIDSGSA-N 2 0 349.544 3.093 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538325 1342596031 /nfs/dbraw/zinc/59/60/31/1342596031.db2.gz LRBLDPFGOWYRQK-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](C(C)C)C2)o1 ZINC001034544112 1342605145 /nfs/dbraw/zinc/60/51/45/1342605145.db2.gz FFLYHPQHWHOLCJ-MRXNPFEDSA-N 2 0 335.492 3.114 20 0 EGADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001034607115 1342645211 /nfs/dbraw/zinc/64/52/11/1342645211.db2.gz LDRDYKWEUYXEDE-MUGJNUQGSA-N 2 0 343.515 3.249 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034610408 1342646288 /nfs/dbraw/zinc/64/62/88/1342646288.db2.gz NVFXNDZRDIJRDW-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001034675099 1342686167 /nfs/dbraw/zinc/68/61/67/1342686167.db2.gz NWYGWMXAQIBUKB-UAFMIMERSA-N 2 0 347.547 3.211 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001034675104 1342686439 /nfs/dbraw/zinc/68/64/39/1342686439.db2.gz NWYGWMXAQIBUKB-WTGUMLROSA-N 2 0 347.547 3.211 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)cs1 ZINC001034936136 1342843535 /nfs/dbraw/zinc/84/35/35/1342843535.db2.gz KKHVRMOMXROUAT-QZTJIDSGSA-N 2 0 349.544 3.010 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001034957549 1342852650 /nfs/dbraw/zinc/85/26/50/1342852650.db2.gz ZZXWLRDTHVFCJD-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035031200 1342886525 /nfs/dbraw/zinc/88/65/25/1342886525.db2.gz WZDPNMTWEYFSRD-GOSISDBHSA-N 2 0 345.487 3.036 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035189640 1343003593 /nfs/dbraw/zinc/00/35/93/1343003593.db2.gz IXQSFUAEARGERM-UHFFFAOYSA-N 2 0 349.544 3.148 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1)C1CC1 ZINC001035193590 1343007574 /nfs/dbraw/zinc/00/75/74/1343007574.db2.gz HODXLEUFZIUBKR-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1)C1CCC1 ZINC001035194723 1343008336 /nfs/dbraw/zinc/00/83/36/1343008336.db2.gz ZROQBOAAPBEUKR-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001036292757 1343400950 /nfs/dbraw/zinc/40/09/50/1343400950.db2.gz FHOVCUWYONVVAO-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036309935 1343412169 /nfs/dbraw/zinc/41/21/69/1343412169.db2.gz HVIHGYLEAIQJIL-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036309929 1343412196 /nfs/dbraw/zinc/41/21/96/1343412196.db2.gz HVIHGYLEAIQJIL-AZUAARDMSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001036418895 1343475392 /nfs/dbraw/zinc/47/53/92/1343475392.db2.gz GVMSYKUUGCVBSW-DLBZAZTESA-N 2 0 337.552 3.265 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001036438528 1343487751 /nfs/dbraw/zinc/48/77/51/1343487751.db2.gz HUFZXTJZLKEQLW-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793417 1343725875 /nfs/dbraw/zinc/72/58/75/1343725875.db2.gz DZZBNZLLUUWEDD-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859087 1343792967 /nfs/dbraw/zinc/79/29/67/1343792967.db2.gz KBNVBFHSEWQDQU-PMACEKPBSA-N 2 0 349.563 3.076 20 0 EGADRP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001037036266 1343942035 /nfs/dbraw/zinc/94/20/35/1343942035.db2.gz GDYRMCJEWSKDDR-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001037044402 1343946409 /nfs/dbraw/zinc/94/64/09/1343946409.db2.gz DJEDURUBPSJGLM-YLJYHZDGSA-N 2 0 348.450 3.023 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001037852872 1344139653 /nfs/dbraw/zinc/13/96/53/1344139653.db2.gz SRDRKGZGGHTTLJ-HOCLYGCPSA-N 2 0 337.533 3.050 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1CC ZINC001037922917 1344182895 /nfs/dbraw/zinc/18/28/95/1344182895.db2.gz CQOYHFMNLHKCEW-QUCCMNQESA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037928993 1344187421 /nfs/dbraw/zinc/18/74/21/1344187421.db2.gz VMCQVGKFBNZLHV-UYAOXDASSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038622697 1344509343 /nfs/dbraw/zinc/50/93/43/1344509343.db2.gz NUVGFNZQDUMBDF-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001038629590 1344511603 /nfs/dbraw/zinc/51/16/03/1344511603.db2.gz IMACFUGHIQYIGK-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)(C)C)cc1 ZINC001038702223 1344547631 /nfs/dbraw/zinc/54/76/31/1344547631.db2.gz DMSFQNNNWHRESB-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)c2ccccc2)CC1 ZINC001038872468 1344621950 /nfs/dbraw/zinc/62/19/50/1344621950.db2.gz PEKHUKHJGVUVNB-PXNSSMCTSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC2=CCCCC2)CC1 ZINC001038874108 1344623626 /nfs/dbraw/zinc/62/36/26/1344623626.db2.gz YWBFNZGNZSIOQV-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001038908082 1344646436 /nfs/dbraw/zinc/64/64/36/1344646436.db2.gz HNHFDTUJIWLOMI-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001039047643 1344733562 /nfs/dbraw/zinc/73/35/62/1344733562.db2.gz FSAVUKMFWOFMOK-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132534 1344810680 /nfs/dbraw/zinc/81/06/80/1344810680.db2.gz NTDFJBQPXKPVIS-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001039137904 1344817959 /nfs/dbraw/zinc/81/79/59/1344817959.db2.gz UEZMBKDEFNWRNL-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039140255 1344820186 /nfs/dbraw/zinc/82/01/86/1344820186.db2.gz RJTRPRWDGIHVQK-VQTJNVASSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167569 1344855421 /nfs/dbraw/zinc/85/54/21/1344855421.db2.gz XSFZZQSMCMAHJB-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173171 1344863280 /nfs/dbraw/zinc/86/32/80/1344863280.db2.gz PQOPUSGBMFMKAN-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC001039183049 1344881054 /nfs/dbraw/zinc/88/10/54/1344881054.db2.gz UZJVAVSYBVSVJM-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214370 1344929776 /nfs/dbraw/zinc/92/97/76/1344929776.db2.gz OKPIKEWELLLJPD-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039216647 1344933389 /nfs/dbraw/zinc/93/33/89/1344933389.db2.gz CEKDJKGRCQDADS-IEBWSBKVSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039282741 1344995823 /nfs/dbraw/zinc/99/58/23/1344995823.db2.gz STOKBMNBNJJEDX-RAFMOHDBSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039284957 1344996538 /nfs/dbraw/zinc/99/65/38/1344996538.db2.gz NKXFNNXINBFNBV-AYHJJNSGSA-N 2 0 340.471 3.106 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039289643 1344998475 /nfs/dbraw/zinc/99/84/75/1344998475.db2.gz WMICCWBTNZHYDZ-QZNYNHHHSA-N 2 0 347.547 3.305 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039302102 1345004356 /nfs/dbraw/zinc/00/43/56/1345004356.db2.gz WYVTWPKJSWGNTA-QBUWPKIASA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375668 1345032848 /nfs/dbraw/zinc/03/28/48/1345032848.db2.gz QTAVSLVRTFTWOA-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447768 1345072327 /nfs/dbraw/zinc/07/23/27/1345072327.db2.gz JENNDZZNQVCNSM-QRVBRYPASA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474352 1345088994 /nfs/dbraw/zinc/08/89/94/1345088994.db2.gz CUAZGQPSQCMLLG-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001039919877 1345245902 /nfs/dbraw/zinc/24/59/02/1345245902.db2.gz KEMXOKIRQWAMHU-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243782 1345393289 /nfs/dbraw/zinc/39/32/89/1345393289.db2.gz AXGKITLOFLSSAB-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040544568 1345539049 /nfs/dbraw/zinc/53/90/49/1345539049.db2.gz WPGVQFQGRXFWPF-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001040730504 1345571736 /nfs/dbraw/zinc/57/17/36/1345571736.db2.gz VJYMGYAKBHBECZ-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001040817480 1345582131 /nfs/dbraw/zinc/58/21/31/1345582131.db2.gz RCFBFYSINQGSAF-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC001040947777 1345607581 /nfs/dbraw/zinc/60/75/81/1345607581.db2.gz FMDBGBSUPJXOPF-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953194 1345609541 /nfs/dbraw/zinc/60/95/41/1345609541.db2.gz KUZFNDFXCYYGEC-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286710 1345694411 /nfs/dbraw/zinc/69/44/11/1345694411.db2.gz MLKLUFAFMVPYTE-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041342730 1345706528 /nfs/dbraw/zinc/70/65/28/1345706528.db2.gz GBYSTLBQTHCNBA-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001042922962 1346125194 /nfs/dbraw/zinc/12/51/94/1346125194.db2.gz IIKWLTZIPJLUHT-IBGZPJMESA-N 2 0 347.547 3.282 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]C(C)C)C[C@@H]2C)o1 ZINC001044878229 1346453042 /nfs/dbraw/zinc/45/30/42/1346453042.db2.gz KNSFFLUNIFWATH-JKSUJKDBSA-N 2 0 335.492 3.113 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044882089 1346453616 /nfs/dbraw/zinc/45/36/16/1346453616.db2.gz XTCOLPBXNFFMRW-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045034624 1346484108 /nfs/dbraw/zinc/48/41/08/1346484108.db2.gz PUGMGZDFOCGIDC-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001045229865 1346536620 /nfs/dbraw/zinc/53/66/20/1346536620.db2.gz XCLLZVDTXJHTQM-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP O=C(N1CCC[C@H]1C[NH2+]CC1CCCCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001045289526 1346551059 /nfs/dbraw/zinc/55/10/59/1346551059.db2.gz LHMPPNAQXTUFOP-FPOVZHCZSA-N 2 0 347.547 3.023 20 0 EGADRP CC1(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC[NH+](CC2CCCC2)CC1 ZINC001045438940 1346594115 /nfs/dbraw/zinc/59/41/15/1346594115.db2.gz XSBGCNACZWPVJK-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001045438384 1346594151 /nfs/dbraw/zinc/59/41/51/1346594151.db2.gz RPCKVNNPXGXXOM-LJQANCHMSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001045528704 1346618218 /nfs/dbraw/zinc/61/82/18/1346618218.db2.gz BTHXPOUFHVRNQN-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045528790 1346618223 /nfs/dbraw/zinc/61/82/23/1346618223.db2.gz DGIRCQBSQIMOKJ-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045585058 1346637769 /nfs/dbraw/zinc/63/77/69/1346637769.db2.gz MHSHVQKIZUBPHV-RTBURBONSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001045615502 1346648315 /nfs/dbraw/zinc/64/83/15/1346648315.db2.gz KVGARHAHGGPJBT-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045620510 1346649983 /nfs/dbraw/zinc/64/99/83/1346649983.db2.gz SOBUQOHZHXZRGS-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045797766 1346700908 /nfs/dbraw/zinc/70/09/08/1346700908.db2.gz ZPFOMMGLBIYOMA-QRVBRYPASA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045952744 1346788259 /nfs/dbraw/zinc/78/82/59/1346788259.db2.gz SANPKIJHFHBGCG-HXUWFJFHSA-N 2 0 340.471 3.063 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961341 1346796909 /nfs/dbraw/zinc/79/69/09/1346796909.db2.gz MAGRIAQTZCXWLJ-IRFCIJBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966827 1346801829 /nfs/dbraw/zinc/80/18/29/1346801829.db2.gz HFYMHUXYZJOFBF-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001046330677 1346936282 /nfs/dbraw/zinc/93/62/82/1346936282.db2.gz PQKDESDYZIBEFW-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+](CC2=CCCCC2)C1 ZINC001046453278 1346979709 /nfs/dbraw/zinc/97/97/09/1346979709.db2.gz GJQLVPTUQBGZRZ-HXUWFJFHSA-N 2 0 338.455 3.029 20 0 EGADRP C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+](CCC2CCCC2)C1 ZINC001046487420 1346991867 /nfs/dbraw/zinc/99/18/67/1346991867.db2.gz XDWYBACEDZJNMQ-HXUWFJFHSA-N 2 0 340.471 3.109 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001046597424 1347032602 /nfs/dbraw/zinc/03/26/02/1347032602.db2.gz ICUBNBNXESIUOC-OAQYLSRUSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001047266031 1347286872 /nfs/dbraw/zinc/28/68/72/1347286872.db2.gz OHUJJDRRUQTFBX-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047265997 1347286993 /nfs/dbraw/zinc/28/69/93/1347286993.db2.gz NNIZECVKBWMACM-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001047867797 1347393893 /nfs/dbraw/zinc/39/38/93/1347393893.db2.gz KWGJRGFCQCCYNY-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001048525192 1347577727 /nfs/dbraw/zinc/57/77/27/1347577727.db2.gz ONVCMCYODZDNQU-IZBJGVDFSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529643 1347580060 /nfs/dbraw/zinc/58/00/60/1347580060.db2.gz UCUSKVNHWXJHPI-BOQPXBONSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533320 1347581967 /nfs/dbraw/zinc/58/19/67/1347581967.db2.gz AJVRJVKTDNCXTQ-RNQOJCNYSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001048620022 1347621086 /nfs/dbraw/zinc/62/10/86/1347621086.db2.gz XQZFGXXDHHJJGH-FHWLQOOXSA-N 2 0 337.552 3.170 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095401 1347723776 /nfs/dbraw/zinc/72/37/76/1347723776.db2.gz ZYIHPZDPVWZNCU-RLLQIKCJSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049165299 1347737725 /nfs/dbraw/zinc/73/77/25/1347737725.db2.gz LWNPFTQDXQYRRL-ZRNYENFQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482468 1347870062 /nfs/dbraw/zinc/87/00/62/1347870062.db2.gz NKXLVBMAQIACMH-ZGXWSNOMSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001049508579 1347884212 /nfs/dbraw/zinc/88/42/12/1347884212.db2.gz QIGFAAHFBLCRER-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049548139 1347902909 /nfs/dbraw/zinc/90/29/09/1347902909.db2.gz CPIBONFWKGIVEC-HSALFYBXSA-N 2 0 347.547 3.282 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049557019 1347908030 /nfs/dbraw/zinc/90/80/30/1347908030.db2.gz FOOJXBFMNCARLL-XUVXKRRUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589746 1347925215 /nfs/dbraw/zinc/92/52/15/1347925215.db2.gz BNCFZXPPUGTXGS-OALUTQOASA-N 2 0 340.471 3.059 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049663764 1347963197 /nfs/dbraw/zinc/96/31/97/1347963197.db2.gz NDDDFJJDSHRNBX-ZCNNSNEGSA-N 2 0 347.547 3.259 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049723820 1347990508 /nfs/dbraw/zinc/99/05/08/1347990508.db2.gz OZIWKRYADJVBHC-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049727881 1347991031 /nfs/dbraw/zinc/99/10/31/1347991031.db2.gz MGZCHXLQQPOFGR-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049727561 1347991317 /nfs/dbraw/zinc/99/13/17/1347991317.db2.gz KEUHZGLOSNRYPS-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC1 ZINC001049760689 1348005736 /nfs/dbraw/zinc/00/57/36/1348005736.db2.gz BAQHJICMLXIOAG-VAMGGRTRSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915616 1348109895 /nfs/dbraw/zinc/10/98/95/1348109895.db2.gz XLTZCJYWGXAKME-VAMGGRTRSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050067122 1348170993 /nfs/dbraw/zinc/17/09/93/1348170993.db2.gz OHISLIIVJZNLGX-XUVXKRRUSA-N 2 0 347.547 3.138 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001050068710 1348171470 /nfs/dbraw/zinc/17/14/70/1348171470.db2.gz GWLBXDBUQDBFQA-IPMKNSEASA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)[NH+](C)C ZINC001050144647 1348194889 /nfs/dbraw/zinc/19/48/89/1348194889.db2.gz LVUBVFFEGXGGFH-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@@H](C)[NH2+]CC3CC3)cc2)CC[N@@H+]1C ZINC001050262557 1348222019 /nfs/dbraw/zinc/22/20/19/1348222019.db2.gz BSDHKPJGLDGYPS-UIAACRFSSA-N 2 0 343.515 3.094 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050392827 1348249223 /nfs/dbraw/zinc/24/92/23/1348249223.db2.gz INMGHLCNMVVRBO-TZCBXBLLSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050577465 1348292533 /nfs/dbraw/zinc/29/25/33/1348292533.db2.gz QUZBEJXUYHOLFW-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)CC1 ZINC001050771173 1348354709 /nfs/dbraw/zinc/35/47/09/1348354709.db2.gz RWMSCUSDOKYYJX-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1)[NH+](C)C ZINC001051342180 1348437895 /nfs/dbraw/zinc/43/78/95/1348437895.db2.gz RMPOOLHIHAIDTJ-KFKAGJAMSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC001051356853 1348442510 /nfs/dbraw/zinc/44/25/10/1348442510.db2.gz KPEXPSAQNDBEDA-GMNCBBECSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001052395610 1348539747 /nfs/dbraw/zinc/53/97/47/1348539747.db2.gz WBBLWCLCYLHSDJ-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCC2)CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001052447538 1348543971 /nfs/dbraw/zinc/54/39/71/1348543971.db2.gz GZIRPSZXLXSBMB-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658473 1348617132 /nfs/dbraw/zinc/61/71/32/1348617132.db2.gz OOPDZAKKQLHZPU-WDSOQIARSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052662546 1348617967 /nfs/dbraw/zinc/61/79/67/1348617967.db2.gz IRRYYWSMUYOTCY-GOSISDBHSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680749 1348627871 /nfs/dbraw/zinc/62/78/71/1348627871.db2.gz SQCGDGKRJQFLOS-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787961 1348679562 /nfs/dbraw/zinc/67/95/62/1348679562.db2.gz OJRWIGDWKIWELM-MOPGFXCFSA-N 2 0 349.494 3.081 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC001052821598 1348690192 /nfs/dbraw/zinc/69/01/92/1348690192.db2.gz ZIVJIBXDSUNPKY-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052956584 1348770794 /nfs/dbraw/zinc/77/07/94/1348770794.db2.gz VKCQFOGWZKVHJG-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052959880 1348772549 /nfs/dbraw/zinc/77/25/49/1348772549.db2.gz ZNMSWKRTUPGAHX-ROUUACIJSA-N 2 0 349.494 3.081 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029839 1348828786 /nfs/dbraw/zinc/82/87/86/1348828786.db2.gz WUHIFEMBQSWELY-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001053104762 1348941435 /nfs/dbraw/zinc/94/14/35/1348941435.db2.gz QIRRYHDIBOLVPQ-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054244574 1349238420 /nfs/dbraw/zinc/23/84/20/1349238420.db2.gz HHAMBSMXUJLYMZ-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264463 1349261940 /nfs/dbraw/zinc/26/19/40/1349261940.db2.gz FKKGKEBFWAWLGC-FQEVSTJZSA-N 2 0 343.515 3.291 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269629 1349268832 /nfs/dbraw/zinc/26/88/32/1349268832.db2.gz IFZWHHDXZOQIJO-WOJBJXKFSA-N 2 0 341.499 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054292267 1349298224 /nfs/dbraw/zinc/29/82/24/1349298224.db2.gz XOAXMQSSZPKOEK-IBGZPJMESA-N 2 0 343.515 3.006 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054648896 1349429065 /nfs/dbraw/zinc/42/90/65/1349429065.db2.gz KKPLXVKQKJUSCN-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC001054854452 1349489053 /nfs/dbraw/zinc/48/90/53/1349489053.db2.gz ULZIPQAYSDTGKA-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001054854573 1349489465 /nfs/dbraw/zinc/48/94/65/1349489465.db2.gz WGQHUGQPJJPHQW-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254683 1357537527 /nfs/dbraw/zinc/53/75/27/1357537527.db2.gz BDWFZQARZMTJBC-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254834 1357537697 /nfs/dbraw/zinc/53/76/97/1357537697.db2.gz HTYUCLDOPVUFNT-ZHALLVOQSA-N 2 0 343.515 3.059 20 0 EGADRP COCC[N@H+](CCc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC001235945282 1376922344 /nfs/dbraw/zinc/92/23/44/1376922344.db2.gz DLJFHUFCFFJISN-UHFFFAOYSA-N 2 0 331.287 3.236 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1c(Br)ccc(C(F)(F)F)c1F ZINC001170905767 1384408246 /nfs/dbraw/zinc/40/82/46/1384408246.db2.gz WECWXYODHIMFPP-MRVPVSSYSA-N 2 0 344.150 3.043 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001183082408 1387259558 /nfs/dbraw/zinc/25/95/58/1387259558.db2.gz TUQGEHAMCJFKOS-NLWGTHIKSA-N 2 0 339.568 3.085 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082741129 1358086017 /nfs/dbraw/zinc/08/60/17/1358086017.db2.gz QGJDWAQEKIFQNE-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1=CCCCC1 ZINC001071646054 1354823955 /nfs/dbraw/zinc/82/39/55/1354823955.db2.gz RKLQYLOHNGOKQV-PKOBYXMFSA-N 2 0 345.531 3.084 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCC1CCCC1 ZINC001071645213 1354824183 /nfs/dbraw/zinc/82/41/83/1354824183.db2.gz HSSLECAZZDOZIR-MJGOQNOKSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071701670 1354860167 /nfs/dbraw/zinc/86/01/67/1354860167.db2.gz MCTBZGGUIHDFON-PKOBYXMFSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCC1=CCCCC1 ZINC001071796013 1354941131 /nfs/dbraw/zinc/94/11/31/1354941131.db2.gz PERCVSRLTFMVOT-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821594 1354961471 /nfs/dbraw/zinc/96/14/71/1354961471.db2.gz QNELPZWCOKWHPX-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@H+](CCC3CCCC3)C2)CC1 ZINC001071930347 1355030276 /nfs/dbraw/zinc/03/02/76/1355030276.db2.gz CXBXJHHTRAQSCZ-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953879 1355039805 /nfs/dbraw/zinc/03/98/05/1355039805.db2.gz GUDVAEBNOTVTGR-HKUYNNGSSA-N 2 0 335.536 3.042 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCC1CCCCC1 ZINC001072081870 1355119106 /nfs/dbraw/zinc/11/91/06/1355119106.db2.gz UDOVMHJPHLWFLD-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)C1CCC1 ZINC001074023837 1356040210 /nfs/dbraw/zinc/04/02/10/1356040210.db2.gz JXYMMRCQSHHBSJ-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001074063127 1356061377 /nfs/dbraw/zinc/06/13/77/1356061377.db2.gz GSCLAGLTMPACMW-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074663231 1356222447 /nfs/dbraw/zinc/22/24/47/1356222447.db2.gz SGVWMQXFQPVXOG-FRYIKTPZSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074663163 1356222520 /nfs/dbraw/zinc/22/25/20/1356222520.db2.gz LRCBGYNWHTYRNB-FRYIKTPZSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001074686119 1356224603 /nfs/dbraw/zinc/22/46/03/1356224603.db2.gz PZTJHZVJIUJVJE-UHOSZYNNSA-N 2 0 349.563 3.265 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)c1ccc(Cl)cc1 ZINC001074803691 1356248083 /nfs/dbraw/zinc/24/80/83/1356248083.db2.gz KNDNYNBWGXWVIJ-DFEHZGFQSA-N 2 0 349.906 3.074 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C)[NH+](C)C ZINC001074885692 1356279482 /nfs/dbraw/zinc/27/94/82/1356279482.db2.gz RUCMZGFCRDUSOE-WDSOQIARSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256132 1387286560 /nfs/dbraw/zinc/28/65/60/1387286560.db2.gz SSACRZWNZYZSPG-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CC1CCCCCC1 ZINC001183399472 1387306848 /nfs/dbraw/zinc/30/68/48/1387306848.db2.gz XGFIZFYQRYMDTG-WIYYLYMNSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082508276 1358052549 /nfs/dbraw/zinc/05/25/49/1358052549.db2.gz XAZZKXKRNRLNTP-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC001082681753 1358071842 /nfs/dbraw/zinc/07/18/42/1358071842.db2.gz QGSOHLHPSWJDGE-ZHALLVOQSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001082943828 1358107022 /nfs/dbraw/zinc/10/70/22/1358107022.db2.gz HYRHPDKDXNVFON-MISYRCLQSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001082941932 1358107107 /nfs/dbraw/zinc/10/71/07/1358107107.db2.gz VFNVAHODPKTJSS-CQJJOKNBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1)[NH+]1CCCC1 ZINC001085295536 1358455702 /nfs/dbraw/zinc/45/57/02/1358455702.db2.gz LQORHZOAVQVPRO-IAGOWNOFSA-N 2 0 349.544 3.140 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)CC1 ZINC001085319962 1358464208 /nfs/dbraw/zinc/46/42/08/1358464208.db2.gz XVGNCAYCFOWVQN-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085331961 1358470396 /nfs/dbraw/zinc/47/03/96/1358470396.db2.gz GNORWRPQQQLSDQ-MISYRCLQSA-N 2 0 347.547 3.378 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)C1 ZINC001085393965 1358487518 /nfs/dbraw/zinc/48/75/18/1358487518.db2.gz PUYIROUVQSNDBK-VAMGGRTRSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085639945 1358653961 /nfs/dbraw/zinc/65/39/61/1358653961.db2.gz ZDUPPXXBYSINJV-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085639838 1358654002 /nfs/dbraw/zinc/65/40/02/1358654002.db2.gz XDGULNHCPRYXAL-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675068 1358678209 /nfs/dbraw/zinc/67/82/09/1358678209.db2.gz KFADEHCYEOPNJJ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1CCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725848 1358713553 /nfs/dbraw/zinc/71/35/53/1358713553.db2.gz HLYWVFPNYBONIJ-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCC2)CC1 ZINC001085901668 1358859809 /nfs/dbraw/zinc/85/98/09/1358859809.db2.gz KIPUAHIKEFJCSS-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2=CCCCC2)CC1 ZINC001085902237 1358860876 /nfs/dbraw/zinc/86/08/76/1358860876.db2.gz XUXBQAASOJUSKH-FQEVSTJZSA-N 2 0 347.547 3.140 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986914 1358938746 /nfs/dbraw/zinc/93/87/46/1358938746.db2.gz PGLOERNHBWZUQT-SFHVURJKSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086198667 1359024964 /nfs/dbraw/zinc/02/49/64/1359024964.db2.gz ASVRKZPHANJVDX-LMCOJAPRSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086253893 1359043178 /nfs/dbraw/zinc/04/31/78/1359043178.db2.gz ZTEZMZGAKDMCFO-KANFNMMFSA-N 2 0 349.563 3.027 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001086875627 1359219037 /nfs/dbraw/zinc/21/90/37/1359219037.db2.gz ZSTMMYPLBNKKCL-XUVXKRRUSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001087212743 1359323139 /nfs/dbraw/zinc/32/31/39/1359323139.db2.gz OJVKFWKIVNRZHG-LMMKCTJWSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC001087659783 1359576060 /nfs/dbraw/zinc/57/60/60/1359576060.db2.gz AIGXAXGWXCCUOC-VQTJNVASSA-N 2 0 348.450 3.117 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684762 1359588440 /nfs/dbraw/zinc/58/84/40/1359588440.db2.gz MWAFURMTRQWTMV-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCCC1CCCC1 ZINC001087726759 1359614679 /nfs/dbraw/zinc/61/46/79/1359614679.db2.gz RJHAKAGTMIAWQC-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC[C@H](C)F ZINC001087762651 1359632589 /nfs/dbraw/zinc/63/25/89/1359632589.db2.gz FWODOJWCQNISBM-ZYSHUDEJSA-N 2 0 349.494 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1CC ZINC001087792109 1359648645 /nfs/dbraw/zinc/64/86/45/1359648645.db2.gz NBLGRKYMHUCPNJ-OTWHNJEPSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC)CC[C@@H]2C1 ZINC001088166534 1359778374 /nfs/dbraw/zinc/77/83/74/1359778374.db2.gz GHYSTTSYFYQUPE-HSALFYBXSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC)CC[C@@H]2C1 ZINC001088166533 1359778537 /nfs/dbraw/zinc/77/85/37/1359778537.db2.gz GHYSTTSYFYQUPE-AABGKKOBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211464 1359796261 /nfs/dbraw/zinc/79/62/61/1359796261.db2.gz LMEPVJQFVXUIFO-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088280729 1359825448 /nfs/dbraw/zinc/82/54/48/1359825448.db2.gz YOVPWRKCNJSZIR-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001088373731 1359855039 /nfs/dbraw/zinc/85/50/39/1359855039.db2.gz NDUSCVJRSLBXBA-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088381998 1359865034 /nfs/dbraw/zinc/86/50/34/1359865034.db2.gz ROQBCEGZNJGFTM-ICSRJNTNSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088413603 1359885021 /nfs/dbraw/zinc/88/50/21/1359885021.db2.gz JXWXTUWVPHQXEU-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431483 1359898796 /nfs/dbraw/zinc/89/87/96/1359898796.db2.gz XNBUJJOQJHKJHC-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088431109 1359898895 /nfs/dbraw/zinc/89/88/95/1359898895.db2.gz IJTXJQJZMIKGMA-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088431111 1359898937 /nfs/dbraw/zinc/89/89/37/1359898937.db2.gz IJTXJQJZMIKGMA-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088605272 1359988912 /nfs/dbraw/zinc/98/89/12/1359988912.db2.gz NFGHZHYYFKEQSN-NZSAHSFTSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)cs1 ZINC001088791764 1360045877 /nfs/dbraw/zinc/04/58/77/1360045877.db2.gz AQXRMPOEMZCVSE-WBVHZDCISA-N 2 0 349.544 3.010 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCCCC1 ZINC001088792025 1360045913 /nfs/dbraw/zinc/04/59/13/1360045913.db2.gz QOFDVMYFRIPYGP-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001088939159 1360108308 /nfs/dbraw/zinc/10/83/08/1360108308.db2.gz ANWVRFKEYDBPJA-QUCCMNQESA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)[C@@H]2C)CC1 ZINC001088952056 1360112090 /nfs/dbraw/zinc/11/20/90/1360112090.db2.gz VVBKJIUHVUHKBS-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCC1 ZINC001089186388 1360237019 /nfs/dbraw/zinc/23/70/19/1360237019.db2.gz VZCLTKNIRJIDST-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407089 1360405583 /nfs/dbraw/zinc/40/55/83/1360405583.db2.gz VZMGYWTXQPPAAN-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421506 1360415539 /nfs/dbraw/zinc/41/55/39/1360415539.db2.gz VEELPPORJFHDRG-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089428564 1360420397 /nfs/dbraw/zinc/42/03/97/1360420397.db2.gz ZGQZDYAUXZSVIV-QZTJIDSGSA-N 2 0 337.552 3.122 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001089616657 1360536814 /nfs/dbraw/zinc/53/68/14/1360536814.db2.gz MVYMPRSRFMMHQD-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCC1CCC1 ZINC001089617112 1360537047 /nfs/dbraw/zinc/53/70/47/1360537047.db2.gz UNIVZSFFRZVJGO-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639272 1360553043 /nfs/dbraw/zinc/55/30/43/1360553043.db2.gz RZQLOXZIEAJQRQ-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001089641883 1360554247 /nfs/dbraw/zinc/55/42/47/1360554247.db2.gz WCTQJIYNCMNCBM-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649090 1360562270 /nfs/dbraw/zinc/56/22/70/1360562270.db2.gz AJWZSILVHGQVRT-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001089674841 1360583729 /nfs/dbraw/zinc/58/37/29/1360583729.db2.gz FBPYKLADKNCYEM-SFHVURJKSA-N 2 0 345.531 3.031 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089734860 1360639113 /nfs/dbraw/zinc/63/91/13/1360639113.db2.gz ZFRWZZZBKKOAGT-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC2CC([NH2+]CC3CCCC3)C2)c1 ZINC001091376436 1361067835 /nfs/dbraw/zinc/06/78/35/1361067835.db2.gz YLOXKEWVJHXIED-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C[NH2+]CCC1CCCC1 ZINC001184577031 1387496723 /nfs/dbraw/zinc/49/67/23/1387496723.db2.gz KGOBQRIZYXYXLS-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CCCCC1 ZINC001184585467 1387497860 /nfs/dbraw/zinc/49/78/60/1387497860.db2.gz NWEZACXDLGDFAN-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071090 1361288688 /nfs/dbraw/zinc/28/86/88/1361288688.db2.gz FYIWPBUGGLWAAS-SBHAEUEKSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120812 1361533162 /nfs/dbraw/zinc/53/31/62/1361533162.db2.gz OPKYVXNKDQMRJE-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184723962 1387521080 /nfs/dbraw/zinc/52/10/80/1387521080.db2.gz LOBBVWBOSHIPSD-HKVCONOFSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001093822445 1361701896 /nfs/dbraw/zinc/70/18/96/1361701896.db2.gz RBMOUFKMBMBONJ-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001324075260 1387529974 /nfs/dbraw/zinc/52/99/74/1387529974.db2.gz PVRATYIRUWLHGF-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457170 1361809074 /nfs/dbraw/zinc/80/90/74/1361809074.db2.gz VPIPORRHNYMJCV-QKNQBKEWSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001324083668 1387534490 /nfs/dbraw/zinc/53/44/90/1387534490.db2.gz XIQBEQPWLGHHBN-HKUYNNGSSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094584758 1361871275 /nfs/dbraw/zinc/87/12/75/1361871275.db2.gz FQQIHTJZFYMGRF-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)[C@@H](C)C2)c(C)n1 ZINC001184852848 1387549494 /nfs/dbraw/zinc/54/94/94/1387549494.db2.gz XFPVSYVVSJZBNX-KXBFYZLASA-N 2 0 343.515 3.495 20 0 EGADRP C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001184893712 1387557302 /nfs/dbraw/zinc/55/73/02/1387557302.db2.gz YMQJUMXIVFENKJ-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCC2)C1 ZINC001095904014 1362280378 /nfs/dbraw/zinc/28/03/78/1362280378.db2.gz WLFMARLBRHRXSJ-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001096100901 1362383171 /nfs/dbraw/zinc/38/31/71/1362383171.db2.gz JRUOYHQIZLJPOX-YRXWBPOGSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001096314532 1362461173 /nfs/dbraw/zinc/46/11/73/1362461173.db2.gz MDRCBGVHLPTPQH-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097318245 1362929159 /nfs/dbraw/zinc/92/91/59/1362929159.db2.gz MSGLJLNWCZTVEQ-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185052642 1387600182 /nfs/dbraw/zinc/60/01/82/1387600182.db2.gz OSMUYXUNMCDRLB-IAGOWNOFSA-N 2 0 349.519 3.075 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCC2)C1 ZINC001097695314 1363103203 /nfs/dbraw/zinc/10/32/03/1363103203.db2.gz WLFMARLBRHRXSJ-WTGUMLROSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC1 ZINC001097976171 1363186318 /nfs/dbraw/zinc/18/63/18/1363186318.db2.gz XXHFBUIEYMWKJW-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001324449234 1387624993 /nfs/dbraw/zinc/62/49/93/1387624993.db2.gz BHGATVNQHITNIX-WOJBJXKFSA-N 2 0 339.483 3.089 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098835299 1363487515 /nfs/dbraw/zinc/48/75/15/1363487515.db2.gz OFHFJABGHXTZTR-ZJOUEHCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC1)C2)[NH+]1CCCCCC1 ZINC001099059950 1363600492 /nfs/dbraw/zinc/60/04/92/1363600492.db2.gz RKDFPEBTMONZCI-LMNJBCLMSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115273 1363631419 /nfs/dbraw/zinc/63/14/19/1363631419.db2.gz DENOUBHCVMTNQL-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099116946 1363633542 /nfs/dbraw/zinc/63/35/42/1363633542.db2.gz XXLYCSXZVJDJMQ-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001099125073 1363637609 /nfs/dbraw/zinc/63/76/09/1363637609.db2.gz AHNSVZPKVAAUCD-DLBZAZTESA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001099125074 1363638229 /nfs/dbraw/zinc/63/82/29/1363638229.db2.gz AHNSVZPKVAAUCD-IAGOWNOFSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001099129813 1363641421 /nfs/dbraw/zinc/64/14/21/1363641421.db2.gz BDEHYHJTCOULQA-KRWDZBQOSA-N 2 0 337.552 3.290 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001099153366 1363659074 /nfs/dbraw/zinc/65/90/74/1363659074.db2.gz IZJWNGXLIKPXFW-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001099166416 1363665784 /nfs/dbraw/zinc/66/57/84/1363665784.db2.gz VTZQGLIHWBWXMD-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099213785 1363695123 /nfs/dbraw/zinc/69/51/23/1363695123.db2.gz GSMSRZZPSAOEJD-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C)[NH+](CC)CC ZINC001099230984 1363704926 /nfs/dbraw/zinc/70/49/26/1363704926.db2.gz ZMLKTMBGHPHZCI-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239630 1363708232 /nfs/dbraw/zinc/70/82/32/1363708232.db2.gz HXSSCJLVXCDNOD-KRWDZBQOSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099239969 1363708418 /nfs/dbraw/zinc/70/84/18/1363708418.db2.gz NIVCCSORQCWONT-GOSISDBHSA-N 2 0 349.563 3.291 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)C[NH+]2CCCC2)[N@H+](CC2CCCCC2)C1 ZINC001099340616 1363760506 /nfs/dbraw/zinc/76/05/06/1363760506.db2.gz WLIFGIFYWVATSJ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)C[NH+]2CCCC2)[N@H+](CCCC2CCC2)C1 ZINC001099340719 1363760532 /nfs/dbraw/zinc/76/05/32/1363760532.db2.gz XJXDESFWBOCWSJ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348023 1363764758 /nfs/dbraw/zinc/76/47/58/1363764758.db2.gz FITAFOMZIWULJS-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099520891 1363831056 /nfs/dbraw/zinc/83/10/56/1363831056.db2.gz PFJADNSWMTUKLR-NMLBUPMWSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2CC(CNC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001100404431 1364103379 /nfs/dbraw/zinc/10/33/79/1364103379.db2.gz AYGLULNWLTUSTE-LRYGQEGESA-N 2 0 343.515 3.025 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001100456944 1364120385 /nfs/dbraw/zinc/12/03/85/1364120385.db2.gz JPQIEZLJQIMUNY-KSTDHSDQSA-N 2 0 349.494 3.101 20 0 EGADRP CC[C@H]([NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1)c1ccccc1 ZINC001100457345 1364120695 /nfs/dbraw/zinc/12/06/95/1364120695.db2.gz ZFIAOSXLEXHUJR-KVZIAJEVSA-N 2 0 345.531 3.352 20 0 EGADRP Cc1c(C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001100467859 1364125701 /nfs/dbraw/zinc/12/57/01/1364125701.db2.gz RMYWIYQEIBCKHE-UHFFFAOYSA-N 2 0 342.487 3.177 20 0 EGADRP C[C@H]([NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001100563840 1364164392 /nfs/dbraw/zinc/16/43/92/1364164392.db2.gz XUPBSBSJHCKLIV-MUYFXNHWSA-N 2 0 343.515 3.106 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100668601 1364210580 /nfs/dbraw/zinc/21/05/80/1364210580.db2.gz CLRQUZYOTKNCHY-DAWZGUTISA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2C)C1)[NH+](CC)CC ZINC001100669052 1364211129 /nfs/dbraw/zinc/21/11/29/1364211129.db2.gz MJLNJOAXONJQIF-LYBXBRPPSA-N 2 0 345.531 3.100 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001100669040 1364211203 /nfs/dbraw/zinc/21/12/03/1364211203.db2.gz LWWFDEWLFIAWCW-OFLPRAFFSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100769472 1364253408 /nfs/dbraw/zinc/25/34/08/1364253408.db2.gz LNSWBAVJLBSTRZ-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001100831343 1364282745 /nfs/dbraw/zinc/28/27/45/1364282745.db2.gz ROSUORXJGKKUBN-VIQWUECVSA-N 2 0 345.531 3.191 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001100848439 1364289907 /nfs/dbraw/zinc/28/99/07/1364289907.db2.gz MSXHNVWQGANDKH-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100890106 1364314733 /nfs/dbraw/zinc/31/47/33/1364314733.db2.gz LWTFMCSQLDVQSE-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100898538 1364320471 /nfs/dbraw/zinc/32/04/71/1364320471.db2.gz LHOVMNHBGHAYNE-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285328 1364498767 /nfs/dbraw/zinc/49/87/67/1364498767.db2.gz YTGLTVBNPBLWHR-ZXFANKLMSA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101546650 1364610887 /nfs/dbraw/zinc/61/08/87/1364610887.db2.gz KHUHYKWDEQTUJV-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001101559015 1364619130 /nfs/dbraw/zinc/61/91/30/1364619130.db2.gz PTIVMNRXJOTYHN-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)C[NH2+]C(C)(C)C)[NH+](CC)CC)cc1 ZINC001324593836 1387691023 /nfs/dbraw/zinc/69/10/23/1387691023.db2.gz MCXXMUUEYKCTDE-GOSISDBHSA-N 2 0 333.520 3.136 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001101574177 1364629132 /nfs/dbraw/zinc/62/91/32/1364629132.db2.gz VGXJNYZDOFXFPL-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001101575894 1364629816 /nfs/dbraw/zinc/62/98/16/1364629816.db2.gz LMEQXERPGAUJRG-AEFFLSMTSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001101597420 1364648049 /nfs/dbraw/zinc/64/80/49/1364648049.db2.gz JYXAZGRZBRLYHQ-UHFFFAOYSA-N 2 0 337.552 3.147 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101597604 1364648233 /nfs/dbraw/zinc/64/82/33/1364648233.db2.gz SKHTXGLMWTVFPR-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101973727 1364794789 /nfs/dbraw/zinc/79/47/89/1364794789.db2.gz QDZNJGMQHKIWRR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001102044915 1364821604 /nfs/dbraw/zinc/82/16/04/1364821604.db2.gz KHVNFKONCJRYHD-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001102111186 1364863952 /nfs/dbraw/zinc/86/39/52/1364863952.db2.gz ZJJBWPIXPQNCPR-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215205 1364937614 /nfs/dbraw/zinc/93/76/14/1364937614.db2.gz KYLYQXSJAHLSTI-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377036 1365030585 /nfs/dbraw/zinc/03/05/85/1365030585.db2.gz KQMDTYXIFFKJMV-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430033 1365050559 /nfs/dbraw/zinc/05/05/59/1365050559.db2.gz BERQYOGIVXLQPA-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781939 1365215811 /nfs/dbraw/zinc/21/58/11/1365215811.db2.gz DJZRLJQNNOACCR-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987720 1365328568 /nfs/dbraw/zinc/32/85/68/1365328568.db2.gz OIDGFCFLAVTMGD-QRVBRYPASA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987775 1365328658 /nfs/dbraw/zinc/32/86/58/1365328658.db2.gz QPQOMJHYMXZXAT-GUDVDZBRSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083880 1365371780 /nfs/dbraw/zinc/37/17/80/1365371780.db2.gz NOQQTIRQLXNKLY-JNVNVXKGSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001103086455 1365373540 /nfs/dbraw/zinc/37/35/40/1365373540.db2.gz DAQRFCJPZTWVBF-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111615 1365387356 /nfs/dbraw/zinc/38/73/56/1365387356.db2.gz DUXJGRQBSIIJPF-POMXJBLMSA-N 2 0 337.552 3.003 20 0 EGADRP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001185525643 1387738964 /nfs/dbraw/zinc/73/89/64/1387738964.db2.gz DILAGJSDMMJTHS-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185527356 1387739834 /nfs/dbraw/zinc/73/98/34/1387739834.db2.gz QLVFTSIQYKLRSZ-OALUTQOASA-N 2 0 339.568 3.373 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103149869 1365410986 /nfs/dbraw/zinc/41/09/86/1365410986.db2.gz OXESIYNMXKQHOP-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185546834 1387745180 /nfs/dbraw/zinc/74/51/80/1387745180.db2.gz DSHUDWUTNSAKDV-RBUKOAKNSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(CC)CC)[C@H](C)C1 ZINC001185547456 1387745291 /nfs/dbraw/zinc/74/52/91/1387745291.db2.gz HKJSKLXJXIDIQZ-IEBWSBKVSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)[NH+](CC)CC ZINC001185609183 1387760213 /nfs/dbraw/zinc/76/02/13/1387760213.db2.gz FGUBNQNNHHPWSU-WFKXUCKUSA-N 2 0 343.515 3.011 20 0 EGADRP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103633596 1365691237 /nfs/dbraw/zinc/69/12/37/1365691237.db2.gz FFRGFBWQQWXVQM-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001185609246 1387760348 /nfs/dbraw/zinc/76/03/48/1387760348.db2.gz GXJRTHLBJDGMHV-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355008 1365983523 /nfs/dbraw/zinc/98/35/23/1365983523.db2.gz JWLVPSXGJYJGMD-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362755 1365988353 /nfs/dbraw/zinc/98/83/53/1365988353.db2.gz HXTBJXZEXBTYQY-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001324817437 1387782805 /nfs/dbraw/zinc/78/28/05/1387782805.db2.gz IJWZQPFAQLDMBB-OXQOHEQNSA-N 2 0 349.494 3.057 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589063 1366090294 /nfs/dbraw/zinc/09/02/94/1366090294.db2.gz UBJUSKXJWDRMRZ-FTVQKVBOSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001104600157 1366096039 /nfs/dbraw/zinc/09/60/39/1366096039.db2.gz YDBWLHIHNFJFHE-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932632 1366229523 /nfs/dbraw/zinc/22/95/23/1366229523.db2.gz DYYLIXHTZNGWGE-YZBXUTEPSA-N 2 0 337.552 3.149 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001185778282 1387797327 /nfs/dbraw/zinc/79/73/27/1387797327.db2.gz HWPCHUUQLCDECF-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001105097719 1366325510 /nfs/dbraw/zinc/32/55/10/1366325510.db2.gz XOOHLPACFULRBQ-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105517973 1366505364 /nfs/dbraw/zinc/50/53/64/1366505364.db2.gz NTYCPRDSVWVPCA-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536629 1366516380 /nfs/dbraw/zinc/51/63/80/1366516380.db2.gz FOIOAQDVVHSXKB-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536965 1366516767 /nfs/dbraw/zinc/51/67/67/1366516767.db2.gz LKJGLIHWKVVVBQ-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105563042 1366532158 /nfs/dbraw/zinc/53/21/58/1366532158.db2.gz BKYTZRTYYSSPDQ-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563068 1366532459 /nfs/dbraw/zinc/53/24/59/1366532459.db2.gz CDKNQTYQMSMGTP-OALUTQOASA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(C)C)CCC1)[NH+](C)C ZINC001105566356 1366534634 /nfs/dbraw/zinc/53/46/34/1366534634.db2.gz IYJCWPHUKNAFBF-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105575439 1366540648 /nfs/dbraw/zinc/54/06/48/1366540648.db2.gz ZEAVJNMXNFYFBF-RBUKOAKNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105576855 1366541497 /nfs/dbraw/zinc/54/14/97/1366541497.db2.gz MOOMMMVKODQIIA-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)CCC1 ZINC001105579158 1366542693 /nfs/dbraw/zinc/54/26/93/1366542693.db2.gz KOEUBVVBQWKLNU-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001106478593 1366707833 /nfs/dbraw/zinc/70/78/33/1366707833.db2.gz ZXJHRWPEMODQEY-RTBURBONSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106665416 1366768931 /nfs/dbraw/zinc/76/89/31/1366768931.db2.gz VTNIEVWSZDGIIY-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672575 1366770359 /nfs/dbraw/zinc/77/03/59/1366770359.db2.gz DXTGYFGFRGSUAR-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106900234 1366827802 /nfs/dbraw/zinc/82/78/02/1366827802.db2.gz SVJGEMDDNWKBMQ-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)C1)CC2 ZINC001107454915 1366968910 /nfs/dbraw/zinc/96/89/10/1366968910.db2.gz PWJGOYFIIQAORV-YMPMHWPESA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCCCC)C[C@H]21 ZINC001189454596 1367026214 /nfs/dbraw/zinc/02/62/14/1367026214.db2.gz XLHDFZZVNPGZLP-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550007 1367038061 /nfs/dbraw/zinc/03/80/61/1367038061.db2.gz KZSMSQCYVXDWDV-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550549 1367038749 /nfs/dbraw/zinc/03/87/49/1367038749.db2.gz ZXYMZZIVQTWSRD-SFHLNBCPSA-N 2 0 349.563 3.269 20 0 EGADRP CCCc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC001189510183 1367040026 /nfs/dbraw/zinc/04/00/26/1367040026.db2.gz OKZYOCCFALZAOI-UHFFFAOYSA-N 2 0 339.549 3.046 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646075 1367090441 /nfs/dbraw/zinc/09/04/41/1367090441.db2.gz ARHVXMMQDJPNKU-SVFBPWRDSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560652 1367198280 /nfs/dbraw/zinc/19/82/80/1367198280.db2.gz LISVZEJCRWQLJA-SQNIBIBYSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001190248151 1367208937 /nfs/dbraw/zinc/20/89/37/1367208937.db2.gz XMJJVNZQYSYYCP-FGTMMUONSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001186075449 1387860396 /nfs/dbraw/zinc/86/03/96/1387860396.db2.gz SNYGLRDDCKDHQH-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590129 1367215167 /nfs/dbraw/zinc/21/51/67/1367215167.db2.gz UMVPLWQQIDZCJB-SQNIBIBYSA-N 2 0 335.536 3.163 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589771 1367215318 /nfs/dbraw/zinc/21/53/18/1367215318.db2.gz DLEKQDOYULPUQS-CNGCZUSVSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001190655520 1367319382 /nfs/dbraw/zinc/31/93/82/1367319382.db2.gz POJNAUFOSIVRMZ-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001191020629 1367404131 /nfs/dbraw/zinc/40/41/31/1367404131.db2.gz ZCYWAWULHPOYNL-SFHVURJKSA-N 2 0 345.531 3.066 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061466 1367412957 /nfs/dbraw/zinc/41/29/57/1367412957.db2.gz KEYRDQOOPPFBGQ-SFHVURJKSA-N 2 0 337.552 3.362 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001191082467 1367420759 /nfs/dbraw/zinc/42/07/59/1367420759.db2.gz YIYZKXBASXRXHK-KRWDZBQOSA-N 2 0 342.487 3.225 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001110020550 1367460789 /nfs/dbraw/zinc/46/07/89/1367460789.db2.gz HZBZJYKITAEYMB-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153987 1367527868 /nfs/dbraw/zinc/52/78/68/1367527868.db2.gz WEZFEFLXKSBMGK-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560260 1367528038 /nfs/dbraw/zinc/52/80/38/1367528038.db2.gz CJUZRPPTVJXVMM-IPLHWJFFSA-N 2 0 335.536 3.140 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161554 1367534301 /nfs/dbraw/zinc/53/43/01/1367534301.db2.gz JDDUXVJCOBUNQP-RRLLLCOMSA-N 2 0 347.547 3.185 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001108711923 1367549906 /nfs/dbraw/zinc/54/99/06/1367549906.db2.gz WFCPIAAOBPZBSA-FHWLQOOXSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188911 1367556219 /nfs/dbraw/zinc/55/62/19/1367556219.db2.gz VTGIGOHMVBEDTP-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823227 1367619830 /nfs/dbraw/zinc/61/98/30/1367619830.db2.gz JSTQCPZEPRRUFP-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191921353 1367640161 /nfs/dbraw/zinc/64/01/61/1367640161.db2.gz ARNPMZAVWUEVQU-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923481 1367641395 /nfs/dbraw/zinc/64/13/95/1367641395.db2.gz WPBSCTQEIAQUEE-PXIXMTEYSA-N 2 0 349.563 3.388 20 0 EGADRP c1ccc(CC2CC[NH+](CCC[N@@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001192244350 1367728410 /nfs/dbraw/zinc/72/84/10/1367728410.db2.gz ZNXSBJGJXFKETM-JOCHJYFZSA-N 2 0 342.527 3.444 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192376839 1367767821 /nfs/dbraw/zinc/76/78/21/1367767821.db2.gz DJWUYWUJJGTHJW-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110544826 1367821764 /nfs/dbraw/zinc/82/17/64/1367821764.db2.gz HGKBEZSLIUBUOL-PUROVWCESA-N 2 0 347.547 3.327 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCCCCF)C2)cc1 ZINC001192846300 1367887089 /nfs/dbraw/zinc/88/70/89/1367887089.db2.gz LKSXXGZRSSHCIR-IBGZPJMESA-N 2 0 349.494 3.034 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)C(C)C ZINC001192918385 1367904754 /nfs/dbraw/zinc/90/47/54/1367904754.db2.gz ZKLIFIGTYOYQFE-QZTJIDSGSA-N 2 0 339.568 3.322 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)C)C1 ZINC001192969395 1367913621 /nfs/dbraw/zinc/91/36/21/1367913621.db2.gz JBVXWQCOEPKSDD-LJQANCHMSA-N 2 0 345.531 3.185 20 0 EGADRP CC1CCC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C2CCC2)C3)CC1 ZINC001110673669 1367913632 /nfs/dbraw/zinc/91/36/32/1367913632.db2.gz LVJIAODLBYKGOB-XZJNCXDESA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001110716236 1367944420 /nfs/dbraw/zinc/94/44/20/1367944420.db2.gz SOJKMZYORRGFDM-MKXGPGLRSA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001110738697 1367955177 /nfs/dbraw/zinc/95/51/77/1367955177.db2.gz OTOBBPYCGJQNMH-QRVBRYPASA-N 2 0 347.547 3.329 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193205733 1367966196 /nfs/dbraw/zinc/96/61/96/1367966196.db2.gz VOHUEULDQSZWCP-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408263 1368020497 /nfs/dbraw/zinc/02/04/97/1368020497.db2.gz HDXGTSFUDAQSAD-PZJWPPBQSA-N 2 0 345.531 3.042 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424561 1368027060 /nfs/dbraw/zinc/02/70/60/1368027060.db2.gz NEOYXNKMDTWWML-UXHICEINSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001193609538 1368073002 /nfs/dbraw/zinc/07/30/02/1368073002.db2.gz CMKLWNLZYXZMCN-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)C)C1 ZINC001110934630 1368104628 /nfs/dbraw/zinc/10/46/28/1368104628.db2.gz JQJYDZIWUKOLDE-WTGUMLROSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)(C)C)CC[N@@H+]1C ZINC001110947305 1368114851 /nfs/dbraw/zinc/11/48/51/1368114851.db2.gz IBIVVKPHGQBRLO-QTMHVTGLSA-N 2 0 349.563 3.265 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001110979934 1368131637 /nfs/dbraw/zinc/13/16/37/1368131637.db2.gz JMBJHUKVLDDENE-LFGUQSLTSA-N 2 0 343.515 3.038 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)[NH+](CC)CC ZINC001111018290 1368144443 /nfs/dbraw/zinc/14/44/43/1368144443.db2.gz PQFCSAFAHKCSDW-WTGUMLROSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001111035770 1368147382 /nfs/dbraw/zinc/14/73/82/1368147382.db2.gz LXGYQXGRZVNFII-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194079264 1368179316 /nfs/dbraw/zinc/17/93/16/1368179316.db2.gz ACUOFBDOWRLJLI-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227910 1368213271 /nfs/dbraw/zinc/21/32/71/1368213271.db2.gz OHIAUPLQJLTXTI-ROUKRRSUSA-N 2 0 343.515 3.251 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001111269219 1368235624 /nfs/dbraw/zinc/23/56/24/1368235624.db2.gz VWCKDUQWRDFLIP-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416076 1368304455 /nfs/dbraw/zinc/30/44/55/1368304455.db2.gz HFUZBGUEXYECFR-QRVBRYPASA-N 2 0 335.536 3.164 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467763 1368313170 /nfs/dbraw/zinc/31/31/70/1368313170.db2.gz VAQTWMOHZCSMGV-AKHDSKFASA-N 2 0 335.536 3.019 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868528 1368516213 /nfs/dbraw/zinc/51/62/13/1368516213.db2.gz BIQMLBBUHPLJHD-OHMQNFHQSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111869821 1368517271 /nfs/dbraw/zinc/51/72/71/1368517271.db2.gz LTPYLMXGLWRIKL-BJLQDIEVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871902 1368519268 /nfs/dbraw/zinc/51/92/68/1368519268.db2.gz QTBKNXZQMZXYKD-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1=CCCCC1)C2 ZINC001111952464 1368572022 /nfs/dbraw/zinc/57/20/22/1368572022.db2.gz JALGCLBNVDPWNC-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111987104 1368592942 /nfs/dbraw/zinc/59/29/42/1368592942.db2.gz RQDMHSDKNUNSOI-ICSRJNTNSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](CCCC2CCC2)CC1)[NH+](CC)CC ZINC001197142244 1368753609 /nfs/dbraw/zinc/75/36/09/1368753609.db2.gz VRXPRGHVAWGTIE-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197331318 1368789595 /nfs/dbraw/zinc/78/95/95/1368789595.db2.gz JOWFQGVLBMLRQT-ZMBJWTFHSA-N 2 0 335.536 3.140 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524478 1368914033 /nfs/dbraw/zinc/91/40/33/1368914033.db2.gz QLETVBQOIRYGLY-RRSJDPKQSA-N 2 0 349.563 3.147 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112585732 1368938192 /nfs/dbraw/zinc/93/81/92/1368938192.db2.gz OLZZFVOPQRWJGL-ZVDOUQERSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112585821 1368938329 /nfs/dbraw/zinc/93/83/29/1368938329.db2.gz SMQXNENAKNNLIU-ZJOUEHCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCOc1ccc2c(c1)C[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC001325436434 1387971963 /nfs/dbraw/zinc/97/19/63/1387971963.db2.gz DRJUGPRLWIZZIT-IBGZPJMESA-N 2 0 340.467 3.195 20 0 EGADRP CCCc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cc1 ZINC001198274329 1368995189 /nfs/dbraw/zinc/99/51/89/1368995189.db2.gz FORGSANEBHLCRF-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605557 1387984261 /nfs/dbraw/zinc/98/42/61/1387984261.db2.gz PQAACHCDNYPXFV-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186605792 1387985499 /nfs/dbraw/zinc/98/54/99/1387985499.db2.gz UZEMXVCQASGLDF-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CCOc1cccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001199865104 1369282725 /nfs/dbraw/zinc/28/27/25/1369282725.db2.gz OZQAYYMLCGWZGY-IBGZPJMESA-N 2 0 339.483 3.482 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200507747 1369382494 /nfs/dbraw/zinc/38/24/94/1369382494.db2.gz QKXARTHIYZHGFK-LIXSYLKWSA-N 2 0 335.536 3.186 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001186748307 1388003703 /nfs/dbraw/zinc/00/37/03/1388003703.db2.gz QMDRGQUQMYSJPV-DDKKJVIOSA-N 2 0 338.455 3.033 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001113563157 1369495438 /nfs/dbraw/zinc/49/54/38/1369495438.db2.gz GSVVTVZPPMIVPM-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC001201416688 1369540312 /nfs/dbraw/zinc/54/03/12/1369540312.db2.gz QVQSQLRHQIEMCD-ZWKOTPCHSA-N 2 0 330.497 3.369 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201528757 1369566965 /nfs/dbraw/zinc/56/69/65/1369566965.db2.gz ZNNDEMSFPHFLAE-HKBOAZHASA-N 2 0 344.547 3.494 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(CC(C)(C)C)no3)cc[nH+]2)CC1 ZINC001201649423 1369596893 /nfs/dbraw/zinc/59/68/93/1369596893.db2.gz SVNFMNXOFNXZTP-UHFFFAOYSA-N 2 0 329.448 3.154 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccccc3Br)cc[nH+]2)CC1 ZINC001201659397 1369598956 /nfs/dbraw/zinc/59/89/56/1369598956.db2.gz VVCAMGJZMYBSOP-UHFFFAOYSA-N 2 0 347.260 3.340 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793798 1369624726 /nfs/dbraw/zinc/62/47/26/1369624726.db2.gz MJOSTASMKZZBPT-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144797 1369700369 /nfs/dbraw/zinc/70/03/69/1369700369.db2.gz JLNPFNXQQQZIEE-QWNKOJSDSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001202224874 1369717629 /nfs/dbraw/zinc/71/76/29/1369717629.db2.gz KEZPJJIPUQWGFV-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001202395978 1369759490 /nfs/dbraw/zinc/75/94/90/1369759490.db2.gz RIZYOHPLKDYOKI-HZPDHXFCSA-N 2 0 334.426 3.009 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1)[NH+](CC)CC ZINC001202474245 1369782954 /nfs/dbraw/zinc/78/29/54/1369782954.db2.gz YHCRKZUKNNBUQQ-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1)[NH+](CC)CC ZINC001202474196 1369783255 /nfs/dbraw/zinc/78/32/55/1369783255.db2.gz XDTALPBNZWWDRP-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](CC1CCOCC1)CC2 ZINC001202567008 1369808095 /nfs/dbraw/zinc/80/80/95/1369808095.db2.gz KOEUGCBHDMBWIJ-UHFFFAOYSA-N 2 0 347.503 3.148 20 0 EGADRP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC001202668455 1369843654 /nfs/dbraw/zinc/84/36/54/1369843654.db2.gz MPSWWUVUPBZAEP-RTWAWAEBSA-N 2 0 328.500 3.257 20 0 EGADRP Cc1ccc(C)c(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001202761555 1369882323 /nfs/dbraw/zinc/88/23/23/1369882323.db2.gz PQFLDVCNCWPFOF-UHFFFAOYSA-N 2 0 334.508 3.041 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202771294 1369885816 /nfs/dbraw/zinc/88/58/16/1369885816.db2.gz ALNLVBXIEBWNQS-IBGZPJMESA-N 2 0 337.552 3.410 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202772978 1369886686 /nfs/dbraw/zinc/88/66/86/1369886686.db2.gz VZPKQUQITGCEHQ-IBGZPJMESA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202862862 1369911000 /nfs/dbraw/zinc/91/10/00/1369911000.db2.gz HHYHFQJKUANGDD-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202872517 1369914110 /nfs/dbraw/zinc/91/41/10/1369914110.db2.gz HGBSIYUHDIFCEJ-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186995146 1388037178 /nfs/dbraw/zinc/03/71/78/1388037178.db2.gz UYEBNNSBQPRWOO-MHVQWJQTSA-N 2 0 343.515 3.010 20 0 EGADRP Cc1csc(CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC001325716609 1388033800 /nfs/dbraw/zinc/03/38/00/1388033800.db2.gz IPCKORXDNUUOQA-LPHOPBHVSA-N 2 0 343.496 3.230 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202992241 1369948538 /nfs/dbraw/zinc/94/85/38/1369948538.db2.gz YXJMPEZPYLTCQT-ZBTAVZRMSA-N 2 0 337.552 3.290 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203029794 1369960726 /nfs/dbraw/zinc/96/07/26/1369960726.db2.gz VIKOFKCFGQJAOR-IBQUMJASSA-N 2 0 347.547 3.234 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(C(F)F)c2)CC[NH2+]CC1 ZINC001325742056 1388039142 /nfs/dbraw/zinc/03/91/42/1388039142.db2.gz AJRNDLNMNKRZMN-ZDUSSCGKSA-N 2 0 340.414 3.035 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2)C1CCC1 ZINC001203044575 1369965226 /nfs/dbraw/zinc/96/52/26/1369965226.db2.gz MTYNZYLWGUVTQO-OALUTQOASA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)[nH]n1 ZINC001203071844 1369973327 /nfs/dbraw/zinc/97/33/27/1369973327.db2.gz OYZIBWDPUNAYEH-SFHVURJKSA-N 2 0 328.460 3.188 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203100879 1369983257 /nfs/dbraw/zinc/98/32/57/1369983257.db2.gz BCZZQYLDDPBMIJ-QZTJIDSGSA-N 2 0 347.547 3.234 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203102239 1369983577 /nfs/dbraw/zinc/98/35/77/1369983577.db2.gz HDSVVNXOWCIJEP-CVEARBPZSA-N 2 0 337.552 3.170 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1)c1ccccc1 ZINC001187034757 1388043370 /nfs/dbraw/zinc/04/33/70/1388043370.db2.gz NJCAEUSFIJXTJY-WOJBJXKFSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203317174 1370079865 /nfs/dbraw/zinc/07/98/65/1370079865.db2.gz MMEGATONKMDYGY-IKSUFZCESA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419782 1370118892 /nfs/dbraw/zinc/11/88/92/1370118892.db2.gz NKBDVGKTTBFULQ-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203507014 1370148254 /nfs/dbraw/zinc/14/82/54/1370148254.db2.gz MUOIOBCLKZOIJX-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001114920736 1370149653 /nfs/dbraw/zinc/14/96/53/1370149653.db2.gz AAMOKTNHHPRCFL-ZMCJARLASA-N 2 0 347.547 3.044 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCC3CCCC3)C[C@H]21 ZINC001114981736 1370190538 /nfs/dbraw/zinc/19/05/38/1370190538.db2.gz ALSFXBWFUFDXLN-KXTWHKPSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203632776 1370194510 /nfs/dbraw/zinc/19/45/10/1370194510.db2.gz VGUJYPFTBVQBJJ-JNVNVXKGSA-N 2 0 349.563 3.482 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641170 1370198278 /nfs/dbraw/zinc/19/82/78/1370198278.db2.gz ORXBLIXZWVRBHL-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1C)C2 ZINC001203732772 1370239790 /nfs/dbraw/zinc/23/97/90/1370239790.db2.gz WXKLUKWBDHGIAG-VXKWHMMOSA-N 2 0 342.527 3.484 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203794248 1370268312 /nfs/dbraw/zinc/26/83/12/1370268312.db2.gz WFWNCDGKGWBLDM-IRXDYDNUSA-N 2 0 337.552 3.170 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203826174 1370281324 /nfs/dbraw/zinc/28/13/24/1370281324.db2.gz XEHSJDOTPMXJHT-MSOLQXFVSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001115111775 1370285910 /nfs/dbraw/zinc/28/59/10/1370285910.db2.gz XOAGSLGSOBDYEJ-KXTWHKPSSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001203902565 1370307474 /nfs/dbraw/zinc/30/74/74/1370307474.db2.gz GGFIYEQNHQLXQG-WAYWQWQTSA-N 2 0 343.515 3.299 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001204057220 1370361957 /nfs/dbraw/zinc/36/19/57/1370361957.db2.gz TUXIXBYXTDEHSL-INIZCTEOSA-N 2 0 349.519 3.362 20 0 EGADRP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)c1 ZINC001204079369 1370370530 /nfs/dbraw/zinc/37/05/30/1370370530.db2.gz OBRYOGAHPUBFHF-UHFFFAOYSA-N 2 0 343.496 3.010 20 0 EGADRP CCOc1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)ccc1O ZINC001204130154 1370385491 /nfs/dbraw/zinc/38/54/91/1370385491.db2.gz CKIUVXCRLFBXAO-UHFFFAOYSA-N 2 0 332.488 3.345 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1)C2 ZINC001204172090 1370398738 /nfs/dbraw/zinc/39/87/38/1370398738.db2.gz RUPGJWAEZUAKCG-RTWAWAEBSA-N 2 0 328.500 3.175 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC001204263156 1370425430 /nfs/dbraw/zinc/42/54/30/1370425430.db2.gz HIQCOBJTSPHPQX-UHFFFAOYSA-N 2 0 328.456 3.355 20 0 EGADRP C[NH+]1CC2(C1)CCN(Cc1cc(F)ccc1Br)CC2 ZINC001204543292 1370509436 /nfs/dbraw/zinc/50/94/36/1370509436.db2.gz ZDZADEQDHKAPIR-UHFFFAOYSA-N 2 0 327.241 3.116 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001187231191 1388077702 /nfs/dbraw/zinc/07/77/02/1388077702.db2.gz IJVNCVGDFUVTDD-RBUKOAKNSA-N 2 0 345.531 3.287 20 0 EGADRP Clc1ccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC001204621325 1370531524 /nfs/dbraw/zinc/53/15/24/1370531524.db2.gz COBOCXAFOVEIPX-UHFFFAOYSA-N 2 0 347.915 3.369 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535487 1370532149 /nfs/dbraw/zinc/53/21/49/1370532149.db2.gz YAPLOYGIMOWHNU-DLBZAZTESA-N 2 0 341.515 3.016 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115562642 1370562448 /nfs/dbraw/zinc/56/24/48/1370562448.db2.gz DJWXJPDKGWRMIP-AYAUWGRQSA-N 2 0 341.927 3.022 20 0 EGADRP Cc1cc(-c2cccc(Cl)c2)ncc1CN1CCO[C@H](CC[NH3+])C1 ZINC001204754781 1370567081 /nfs/dbraw/zinc/56/70/81/1370567081.db2.gz AHUAIMFUSVIODP-GOSISDBHSA-N 2 0 345.874 3.260 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591778 1370592380 /nfs/dbraw/zinc/59/23/80/1370592380.db2.gz DMQSXNBLJWPDMI-MSOLQXFVSA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591724 1370592575 /nfs/dbraw/zinc/59/25/75/1370592575.db2.gz BLEWAPZCUJXMSJ-MSOLQXFVSA-N 2 0 335.536 3.212 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001204889463 1370597605 /nfs/dbraw/zinc/59/76/05/1370597605.db2.gz LPWFXTYFWVHKOI-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115598596 1370598925 /nfs/dbraw/zinc/59/89/25/1370598925.db2.gz UQTWJQOLOHRKQY-LJQANCHMSA-N 2 0 347.547 3.380 20 0 EGADRP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001204896572 1370599749 /nfs/dbraw/zinc/59/97/49/1370599749.db2.gz MLSNIDFWNORZFN-MOPGFXCFSA-N 2 0 349.522 3.427 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115601536 1370601102 /nfs/dbraw/zinc/60/11/02/1370601102.db2.gz FZUHNPPYEKTYAS-UHFFFAOYSA-N 2 0 343.531 3.265 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611529 1370610606 /nfs/dbraw/zinc/61/06/06/1370610606.db2.gz MBNDRGIYMPUTPA-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(OCc2ccccc2)c1 ZINC001205041621 1370636825 /nfs/dbraw/zinc/63/68/25/1370636825.db2.gz YVPZBXVOJNJSDG-UHFFFAOYSA-N 2 0 340.467 3.445 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648404 1370637400 /nfs/dbraw/zinc/63/74/00/1370637400.db2.gz OYUSGCKEMGVSCX-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CCOc1c(Br)cc(C)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205058961 1370639919 /nfs/dbraw/zinc/63/99/19/1370639919.db2.gz ZVJZTGJRHPSRPH-UHFFFAOYSA-N 2 0 341.293 3.327 20 0 EGADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3cc(Br)cnc3c2)CC1 ZINC001205116490 1370655056 /nfs/dbraw/zinc/65/50/56/1370655056.db2.gz AGWSPLSBWZKYPL-OAHLLOKOSA-N 2 0 334.261 3.311 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692741 1370673825 /nfs/dbraw/zinc/67/38/25/1370673825.db2.gz ZXCMIERVONTLOA-WLMAVBAVSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692587 1370673866 /nfs/dbraw/zinc/67/38/66/1370673866.db2.gz WZESZZHNEQQMGP-ROUUACIJSA-N 2 0 335.536 3.092 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2sccc2Oc2ccccc2)CC1 ZINC001205228647 1370689087 /nfs/dbraw/zinc/68/90/87/1370689087.db2.gz GVCZWQPYXZJSBC-SFHVURJKSA-N 2 0 332.469 3.216 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205241410 1370692488 /nfs/dbraw/zinc/69/24/88/1370692488.db2.gz DOMXUWAYIVJQSY-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC1 ZINC001205247378 1370694752 /nfs/dbraw/zinc/69/47/52/1370694752.db2.gz GHVVWCINDQEQBN-HXUWFJFHSA-N 2 0 328.431 3.168 20 0 EGADRP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001205273043 1370702565 /nfs/dbraw/zinc/70/25/65/1370702565.db2.gz CREBNZQWWVHAHD-OAHLLOKOSA-N 2 0 326.366 3.285 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729737 1370712130 /nfs/dbraw/zinc/71/21/30/1370712130.db2.gz QSPWFSJOGNPFLR-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115729791 1370712147 /nfs/dbraw/zinc/71/21/47/1370712147.db2.gz SQIBNONIJPRPRG-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729738 1370712169 /nfs/dbraw/zinc/71/21/69/1370712169.db2.gz QSPWFSJOGNPFLR-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC001205318347 1370719924 /nfs/dbraw/zinc/71/99/24/1370719924.db2.gz UJYYHMUTEGVXSA-LSDHHAIUSA-N 2 0 328.456 3.274 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115760966 1370744852 /nfs/dbraw/zinc/74/48/52/1370744852.db2.gz ZXDSLAUNDGSDFU-SFHVURJKSA-N 2 0 337.552 3.458 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001187303907 1388091543 /nfs/dbraw/zinc/09/15/43/1388091543.db2.gz FGNQFKTZSMVSGX-IBGZPJMESA-N 2 0 337.467 3.497 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768923 1370753189 /nfs/dbraw/zinc/75/31/89/1370753189.db2.gz NHLPATATVYXDBN-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1)C1CC1 ZINC001205461451 1370762529 /nfs/dbraw/zinc/76/25/29/1370762529.db2.gz JRTMYCDCMIWHGS-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464291 1370763308 /nfs/dbraw/zinc/76/33/08/1370763308.db2.gz NANIOQDDZCLGMD-XJDXJNMNSA-N 2 0 349.563 3.149 20 0 EGADRP C[N@H+](CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1)C1CCC1 ZINC001205469782 1370764930 /nfs/dbraw/zinc/76/49/30/1370764930.db2.gz XSPATTNCJHYJLK-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)CC1CCC1 ZINC001205506803 1370775004 /nfs/dbraw/zinc/77/50/04/1370775004.db2.gz HLYGOQFPBYGFDE-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205518778 1370778752 /nfs/dbraw/zinc/77/87/52/1370778752.db2.gz KNYJHQCHATWBCE-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001205526190 1370781459 /nfs/dbraw/zinc/78/14/59/1370781459.db2.gz ISDGRYQEDQLWLH-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001205591282 1370802639 /nfs/dbraw/zinc/80/26/39/1370802639.db2.gz JOUZRCOEFTUGRR-HNNXBMFYSA-N 2 0 344.356 3.235 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(OCc3ccccc3)cn2)CC1 ZINC001205591349 1370802942 /nfs/dbraw/zinc/80/29/42/1370802942.db2.gz KWFHOYXYKYOKQW-HXUWFJFHSA-N 2 0 343.446 3.314 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)CC1 ZINC001205600568 1370807048 /nfs/dbraw/zinc/80/70/48/1370807048.db2.gz LZFXOZBBUJENHN-UHFFFAOYSA-N 2 0 330.516 3.096 20 0 EGADRP CC(C)(C)CCC[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616302 1370811382 /nfs/dbraw/zinc/81/13/82/1370811382.db2.gz ATHHNMVBHZZWHJ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC001205616902 1370811824 /nfs/dbraw/zinc/81/18/24/1370811824.db2.gz HNIGPISZEHLTNB-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1OC ZINC001205618688 1370812774 /nfs/dbraw/zinc/81/27/74/1370812774.db2.gz YEJQJQVQJZMNMS-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP [NH3+]C[C@H]1CN(Cc2c(Cl)c3ccccc3[nH]c2=O)CCC1(F)F ZINC001205795479 1370873004 /nfs/dbraw/zinc/87/30/04/1370873004.db2.gz HCSWZJMKCAHZSK-JTQLQIEISA-N 2 0 341.789 3.010 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC001116289412 1370879554 /nfs/dbraw/zinc/87/95/54/1370879554.db2.gz VQXKOFKHIBCXAZ-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP Fc1cc(-c2cccc(N3CC[NH2+]CC3)c2)ccc1[C@@H]1CCC[NH2+]1 ZINC001205929477 1370914791 /nfs/dbraw/zinc/91/47/91/1370914791.db2.gz LDJCGWDKPKJLPP-FQEVSTJZSA-N 2 0 325.431 3.327 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001205991387 1370932071 /nfs/dbraw/zinc/93/20/71/1370932071.db2.gz ANNCCLSKIGCYPW-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC(F)F ZINC001205992073 1370932230 /nfs/dbraw/zinc/93/22/30/1370932230.db2.gz DGDBBIZKTZGYEB-GXTWGEPZSA-N 2 0 328.403 3.103 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206004395 1370935171 /nfs/dbraw/zinc/93/51/71/1370935171.db2.gz SAQFUASXUZSNSE-DGCLKSJQSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CCC[C@@H]1C[NH3+] ZINC001206013507 1370938043 /nfs/dbraw/zinc/93/80/43/1370938043.db2.gz RTQGSVKOBZXJOJ-GHMZBOCLSA-N 2 0 346.422 3.221 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206023367 1370941342 /nfs/dbraw/zinc/94/13/42/1370941342.db2.gz OCHDSWYWJUIIAI-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206027300 1370942199 /nfs/dbraw/zinc/94/21/99/1370942199.db2.gz VUWJIZUTDMVLED-HUUCEWRRSA-N 2 0 332.879 3.333 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1Cl ZINC001206036611 1370945038 /nfs/dbraw/zinc/94/50/38/1370945038.db2.gz MFWNNVLMZTVRFV-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001206073613 1370954580 /nfs/dbraw/zinc/95/45/80/1370954580.db2.gz DVFMABIIXKWVLL-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP COc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc2c1NC(C)(C)C=C2 ZINC001206211428 1370994019 /nfs/dbraw/zinc/99/40/19/1370994019.db2.gz OLAWQLMSNIGDKR-CVEARBPZSA-N 2 0 333.451 3.174 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](CCc2ccccc2Br)CC1 ZINC001206293938 1371014123 /nfs/dbraw/zinc/01/41/23/1371014123.db2.gz HYUWGTKCTQAMHJ-INIZCTEOSA-N 2 0 325.294 3.443 20 0 EGADRP COc1ccc(-c2c(C[N@@H+]3CCC[C@@](C)(C[NH3+])CC3)cnn2C)cc1 ZINC001206317256 1371020431 /nfs/dbraw/zinc/02/04/31/1371020431.db2.gz DNZHJNXQRZBANB-HXUWFJFHSA-N 2 0 342.487 3.047 20 0 EGADRP [NH3+]C[C@]1(F)CCCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001206335883 1371026406 /nfs/dbraw/zinc/02/64/06/1371026406.db2.gz HUTNLCQZJZKKGF-VQTJNVASSA-N 2 0 333.495 3.194 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC001206500195 1371073847 /nfs/dbraw/zinc/07/38/47/1371073847.db2.gz HKKHBOQZDUECHR-UHFFFAOYSA-N 2 0 336.277 3.491 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1Br ZINC001206506884 1371076725 /nfs/dbraw/zinc/07/67/25/1371076725.db2.gz VAKIVJFJAGPEAK-UHFFFAOYSA-N 2 0 341.293 3.409 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206541814 1371087741 /nfs/dbraw/zinc/08/77/41/1371087741.db2.gz KUHNMQHHRJYLOO-OAQYLSRUSA-N 3 0 329.532 3.350 20 0 EGADRP COc1ccc(-c2c(C[N@@H+]3CCCC[C@](C)(C[NH3+])C3)cnn2C)cc1 ZINC001206565421 1371095637 /nfs/dbraw/zinc/09/56/37/1371095637.db2.gz SSHAMTXTHKWXTJ-HXUWFJFHSA-N 2 0 342.487 3.047 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628938 1371113303 /nfs/dbraw/zinc/11/33/03/1371113303.db2.gz ZPARMLXKDAVUAQ-IBGZPJMESA-N 2 0 339.568 3.371 20 0 EGADRP COc1cccnc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001206650634 1371119184 /nfs/dbraw/zinc/11/91/84/1371119184.db2.gz SHXCEZMTDGNLGS-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP COc1cc(C)ccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001206740413 1371150827 /nfs/dbraw/zinc/15/08/27/1371150827.db2.gz GBXGRLCENOWGHF-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccc(-n3ccnc3)c2)CC1 ZINC001206755775 1371154749 /nfs/dbraw/zinc/15/47/49/1371154749.db2.gz PEOFGSDTSPLWGW-UHFFFAOYSA-N 2 0 346.478 3.365 20 0 EGADRP Fc1cnccc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001206788949 1371166700 /nfs/dbraw/zinc/16/67/00/1371166700.db2.gz KNMWKXCGLKXKLF-UHFFFAOYSA-N 2 0 325.431 3.319 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797121 1371170384 /nfs/dbraw/zinc/17/03/84/1371170384.db2.gz UPXRNXIYRRMICD-UXHICEINSA-N 2 0 338.499 3.073 20 0 EGADRP Fc1cncc(F)c1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001206862584 1371192973 /nfs/dbraw/zinc/19/29/73/1371192973.db2.gz MSQVGICMKDBRGN-UHFFFAOYSA-N 2 0 343.421 3.458 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001206929196 1371229795 /nfs/dbraw/zinc/22/97/95/1371229795.db2.gz YTENCSVZTOKHNB-MOPGFXCFSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001206947584 1371240055 /nfs/dbraw/zinc/24/00/55/1371240055.db2.gz BGHXFLQMMUUMOU-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950308 1371241502 /nfs/dbraw/zinc/24/15/02/1371241502.db2.gz KXKYGBDBARKDSF-PLNGDYQASA-N 2 0 349.563 3.437 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206954924 1371244411 /nfs/dbraw/zinc/24/44/11/1371244411.db2.gz DHTDOXQSPCRHGO-WUYYXPQKSA-N 2 0 335.536 3.042 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206968460 1371251549 /nfs/dbraw/zinc/25/15/49/1371251549.db2.gz IJWGSTIXTIDUGK-ONEGZZNKSA-N 2 0 349.563 3.437 20 0 EGADRP O=c1[nH]cccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207010857 1371266343 /nfs/dbraw/zinc/26/63/43/1371266343.db2.gz YMBUJEGSLMEPAF-OAQYLSRUSA-N 2 0 337.467 3.275 20 0 EGADRP C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207274759 1371347979 /nfs/dbraw/zinc/34/79/79/1371347979.db2.gz GCZDDAXLVJFMJD-JKSUJKDBSA-N 2 0 341.540 3.199 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001207280041 1371348453 /nfs/dbraw/zinc/34/84/53/1371348453.db2.gz LYMJHYNMZRCHRJ-XLIONFOSSA-N 2 0 331.504 3.150 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001207337556 1371364198 /nfs/dbraw/zinc/36/41/98/1371364198.db2.gz TZSGWLXKONGTKT-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)CC1CC[NH+](C)CC1 ZINC001207398520 1371384392 /nfs/dbraw/zinc/38/43/92/1371384392.db2.gz WWRQDLJWRPJAKG-GHTZIAJQSA-N 2 0 329.532 3.171 20 0 EGADRP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCc3nccn3CC2)CC1 ZINC001207410951 1371387255 /nfs/dbraw/zinc/38/72/55/1371387255.db2.gz FJYBCCJTCSROTB-SFHVURJKSA-N 2 0 331.504 3.409 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001207487155 1371410943 /nfs/dbraw/zinc/41/09/43/1371410943.db2.gz RDGVLGZITMQWRQ-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP COc1ccc(CCCN2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001207582505 1371442534 /nfs/dbraw/zinc/44/25/34/1371442534.db2.gz HHVYSTYFSXMYSV-UHFFFAOYSA-N 2 0 346.515 3.203 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC1([NH2+]CCF)CCCCC1)c1ccccc1 ZINC001119993447 1371446230 /nfs/dbraw/zinc/44/62/30/1371446230.db2.gz KKOAJBJMSFRFFZ-SFHVURJKSA-N 2 0 349.494 3.058 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2c[nH+]ccc2N(C)C)CCCCC1 ZINC001120020380 1371457481 /nfs/dbraw/zinc/45/74/81/1371457481.db2.gz BWZUFTQLMQOWDE-MRXNPFEDSA-N 2 0 346.519 3.216 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3conc3Cc3ccccc3)C[C@H]2C1 ZINC001120072285 1371478497 /nfs/dbraw/zinc/47/84/97/1371478497.db2.gz SOJLICJXMPDEBI-QWFCFKBJSA-N 2 0 339.483 3.428 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)CC1CCSCC1 ZINC001207755537 1371496171 /nfs/dbraw/zinc/49/61/71/1371496171.db2.gz ULIHZUGRGPXKGG-UHFFFAOYSA-N 2 0 329.598 3.115 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120189478 1371502896 /nfs/dbraw/zinc/50/28/96/1371502896.db2.gz KJLUYRHOJNETLU-CALCHBBNSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120207902 1371505591 /nfs/dbraw/zinc/50/55/91/1371505591.db2.gz LHZCTQTXHOTQCU-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431259 1371574623 /nfs/dbraw/zinc/57/46/23/1371574623.db2.gz QXJPJPJTTGSAHV-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431718 1371574741 /nfs/dbraw/zinc/57/47/41/1371574741.db2.gz WAPRNQUCJTWHKJ-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001120432217 1371575679 /nfs/dbraw/zinc/57/56/79/1371575679.db2.gz ZATVEEKRJCOZIE-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120440085 1371578213 /nfs/dbraw/zinc/57/82/13/1371578213.db2.gz KYIQBCXJNPCOTA-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048696 1371580192 /nfs/dbraw/zinc/58/01/92/1371580192.db2.gz JVYXEBVHLKKRLC-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459996 1371584114 /nfs/dbraw/zinc/58/41/14/1371584114.db2.gz OMUKOEDPZPBNBZ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120469611 1371588322 /nfs/dbraw/zinc/58/83/22/1371588322.db2.gz LDAIZCMNZURLIB-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP COc1ccccc1[C@H](O)C[N@H+](CC1(C)CC[NH+](C)CC1)C(C)C ZINC001208108249 1371596618 /nfs/dbraw/zinc/59/66/18/1371596618.db2.gz CBHRGAXBQMLWJU-GOSISDBHSA-N 2 0 334.504 3.171 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001208107925 1371597110 /nfs/dbraw/zinc/59/71/10/1371597110.db2.gz WZXQPEMJKQTPFP-NQIIRXRSSA-N 2 0 343.515 3.294 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001208114504 1371599555 /nfs/dbraw/zinc/59/95/55/1371599555.db2.gz YQOIBTBUUODPCW-UHFFFAOYSA-N 2 0 335.923 3.190 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128750 1371603824 /nfs/dbraw/zinc/60/38/24/1371603824.db2.gz GLSWICVZRHEZGR-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208128089 1371604148 /nfs/dbraw/zinc/60/41/48/1371604148.db2.gz UIVRBCYYFSRKNV-JOCHJYFZSA-N 2 0 337.511 3.325 20 0 EGADRP C[NH+](C)CC1(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC001208185832 1371625563 /nfs/dbraw/zinc/62/55/63/1371625563.db2.gz IVTCNELBVRKMAH-NHCUHLMSSA-N 2 0 341.543 3.172 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001326298347 1388145602 /nfs/dbraw/zinc/14/56/02/1388145602.db2.gz JBCDEKDTDZCXPP-JOCHJYFZSA-N 2 0 349.478 3.152 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208261915 1371688466 /nfs/dbraw/zinc/68/84/66/1371688466.db2.gz UYQUBMDTERROCZ-RTRPANQVSA-N 2 0 349.544 3.360 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331059 1371720315 /nfs/dbraw/zinc/72/03/15/1371720315.db2.gz KDEQJHYOPFFFFM-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331194 1371720413 /nfs/dbraw/zinc/72/04/13/1371720413.db2.gz NIFXRQOLEOCABB-RLWBPELLSA-N 2 0 349.563 3.291 20 0 EGADRP CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453315 1371771496 /nfs/dbraw/zinc/77/14/96/1371771496.db2.gz DRQLWMLWDSRIMB-IBGZPJMESA-N 2 0 345.531 3.060 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC001208589809 1371830482 /nfs/dbraw/zinc/83/04/82/1371830482.db2.gz YWXJRVTYQBEFSO-SFTDATJTSA-N 2 0 327.516 3.211 20 0 EGADRP CCC[NH+]1C[C@@H]2CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592940 1371832778 /nfs/dbraw/zinc/83/27/78/1371832778.db2.gz ZLJPSEHADYRBPZ-YPAWHYETSA-N 2 0 341.543 3.315 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001208598742 1371834620 /nfs/dbraw/zinc/83/46/20/1371834620.db2.gz WZGKPGVKOCQJDK-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)CC1 ZINC001208598606 1371834706 /nfs/dbraw/zinc/83/47/06/1371834706.db2.gz UNSFWDUDNJPSLA-UHFFFAOYSA-N 2 0 342.483 3.218 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)CC1 ZINC001208599671 1371836496 /nfs/dbraw/zinc/83/64/96/1371836496.db2.gz KBRYAQJNUFHSSH-UHFFFAOYSA-N 2 0 341.499 3.094 20 0 EGADRP COC(=O)c1ccc(CC2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208612575 1371840119 /nfs/dbraw/zinc/84/01/19/1371840119.db2.gz CGCCABCZHUEWHX-IBGZPJMESA-N 2 0 344.499 3.070 20 0 EGADRP COC(=O)c1ccc(CC2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208612576 1371840231 /nfs/dbraw/zinc/84/02/31/1371840231.db2.gz CGCCABCZHUEWHX-LJQANCHMSA-N 2 0 344.499 3.070 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CCC[C@]3(CC[NH+]3Cc3cccc(F)c3)C2)C1 ZINC001208609907 1371840304 /nfs/dbraw/zinc/84/03/04/1371840304.db2.gz XMGHONARGUQFOW-CTNGQTDRSA-N 2 0 345.506 3.208 20 0 EGADRP C[C@H](c1ccccc1)N(C[C@H]1CCC[N@H+](C)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001208617974 1371843766 /nfs/dbraw/zinc/84/37/66/1371843766.db2.gz QTADEFLHNACPJU-XQBPLPMBSA-N 2 0 341.543 3.486 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001208757474 1371885649 /nfs/dbraw/zinc/88/56/49/1371885649.db2.gz DXAXOZDWOBDTDN-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001208760202 1371887367 /nfs/dbraw/zinc/88/73/67/1371887367.db2.gz XOOINMNVWUHULV-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)CCc2ccc(OC)c(OC)c2)CC1 ZINC001208762423 1371887639 /nfs/dbraw/zinc/88/76/39/1371887639.db2.gz PSEGHEQZRIMHOG-UHFFFAOYSA-N 2 0 334.504 3.443 20 0 EGADRP CC[C@@H](CCC(=O)OC)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208795795 1371898812 /nfs/dbraw/zinc/89/88/12/1371898812.db2.gz GMARRRHUMVGLQO-ICSRJNTNSA-N 2 0 346.515 3.420 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232169 1371901656 /nfs/dbraw/zinc/90/16/56/1371901656.db2.gz AFQXFAPGOQEXKF-PMRGXDQWSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121237741 1371903452 /nfs/dbraw/zinc/90/34/52/1371903452.db2.gz CQEBCMFTQLJEDH-SREVYHEPSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)CCC1 ZINC001121237800 1371903919 /nfs/dbraw/zinc/90/39/19/1371903919.db2.gz GXLKQLWMPQWZOE-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2O1 ZINC001208961561 1371962470 /nfs/dbraw/zinc/96/24/70/1371962470.db2.gz GPDVPNWELFKIGZ-CTNGQTDRSA-N 2 0 336.479 3.444 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001209012460 1371974275 /nfs/dbraw/zinc/97/42/75/1371974275.db2.gz FRWUTIWBAXZJGD-IYARVYRRSA-N 2 0 336.520 3.306 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NC2=CCN(c3ccccc3)CC2)CC1 ZINC001209041405 1371981543 /nfs/dbraw/zinc/98/15/43/1371981543.db2.gz NQKRYBSWXWVTBZ-UHFFFAOYSA-N 2 0 349.482 3.040 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001121653545 1372037279 /nfs/dbraw/zinc/03/72/79/1372037279.db2.gz JBXNFMNWXSJFCP-FUSSNKQKSA-N 2 0 349.563 3.027 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209204724 1372038021 /nfs/dbraw/zinc/03/80/21/1372038021.db2.gz KRJCBIORQMNZKN-ASIGSXEYSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121662773 1372038782 /nfs/dbraw/zinc/03/87/82/1372038782.db2.gz FCDGYMBVKSXROJ-UFQJCFOOSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@@H]([NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1)c1ccccc1 ZINC001121695873 1372049792 /nfs/dbraw/zinc/04/97/92/1372049792.db2.gz CVWWGEWCFREBPU-MBEFBZSESA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCCC3OCCO3)C[C@@H]21 ZINC001209304981 1372064765 /nfs/dbraw/zinc/06/47/65/1372064765.db2.gz CEDQTXVOICDYBS-ZJOUEHCJSA-N 2 0 344.499 3.250 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121790803 1372081298 /nfs/dbraw/zinc/08/12/98/1372081298.db2.gz CUDXQQICAQBZMA-UHFFFAOYSA-N 2 0 337.552 3.027 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C[C@H]1C[C@@H]1C)CC2 ZINC001209417313 1372100355 /nfs/dbraw/zinc/10/03/55/1372100355.db2.gz VVMBCWSRHJDVPG-BBWFWOEESA-N 2 0 349.544 3.102 20 0 EGADRP COC(=O)C[C@H](C)[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209452137 1372108979 /nfs/dbraw/zinc/10/89/79/1372108979.db2.gz FEWRBWWUADNWFP-SFHVURJKSA-N 2 0 332.488 3.316 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478176 1372117643 /nfs/dbraw/zinc/11/76/43/1372117643.db2.gz PYPCPLRIMMGBKV-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001121916356 1372122224 /nfs/dbraw/zinc/12/22/24/1372122224.db2.gz WPKHWWLOLPTFRN-CMKODMSKSA-N 2 0 337.552 3.111 20 0 EGADRP Cn1nc2ccccc2c1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209540119 1372131852 /nfs/dbraw/zinc/13/18/52/1372131852.db2.gz POTARNQNYNEYCF-IRXDYDNUSA-N 2 0 326.488 3.412 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001209588220 1372144506 /nfs/dbraw/zinc/14/45/06/1372144506.db2.gz FIJVDJPTBFFJLV-WOJBJXKFSA-N 2 0 345.531 3.196 20 0 EGADRP Cc1[nH]c2ncccc2c1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001209588170 1372144708 /nfs/dbraw/zinc/14/47/08/1372144708.db2.gz PIUYULLVYNSBFM-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(N3CCCC3)nc2)CC1 ZINC001209624169 1372153929 /nfs/dbraw/zinc/15/39/29/1372153929.db2.gz YROUNBYEOHZICO-UHFFFAOYSA-N 2 0 330.520 3.234 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001209632929 1372156879 /nfs/dbraw/zinc/15/68/79/1372156879.db2.gz PETJWGUVXUFHNS-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1nc2ccccn2c1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001209651303 1372161919 /nfs/dbraw/zinc/16/19/19/1372161919.db2.gz UWHOZKWSKMHBOR-UHFFFAOYSA-N 2 0 326.488 3.197 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001122106331 1372175599 /nfs/dbraw/zinc/17/55/99/1372175599.db2.gz FXFAFAFFDCSXDE-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP [NH3+]CC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC001122194143 1372198681 /nfs/dbraw/zinc/19/86/81/1372198681.db2.gz NWLVMAHRHIUFJN-RXVVDRJESA-N 2 0 349.478 3.130 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001122242635 1372210477 /nfs/dbraw/zinc/21/04/77/1372210477.db2.gz MOHUWGDGIQMIHY-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209939092 1372237171 /nfs/dbraw/zinc/23/71/71/1372237171.db2.gz BQJSKGRIIDRGQF-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001210181055 1372289766 /nfs/dbraw/zinc/28/97/66/1372289766.db2.gz AYOUGIQJRPFJMJ-MSOLQXFVSA-N 2 0 325.541 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC(C)C)C1)C(C)C ZINC001210189655 1372291069 /nfs/dbraw/zinc/29/10/69/1372291069.db2.gz LBFRTYLJSWIIGP-RBUKOAKNSA-N 2 0 339.568 3.370 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CC[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001210196970 1372291865 /nfs/dbraw/zinc/29/18/65/1372291865.db2.gz TULHRMYLZREUNM-IFMALSPDSA-N 2 0 335.495 3.155 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC001326445503 1388190667 /nfs/dbraw/zinc/19/06/67/1388190667.db2.gz WZQMUUXPKNFUKT-LZWOXQAQSA-N 2 0 336.549 3.247 20 0 EGADRP c1ccc(Oc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cn2)cc1 ZINC001210262298 1372308874 /nfs/dbraw/zinc/30/88/74/1372308874.db2.gz FGCKBFCNHIXBGJ-UHFFFAOYSA-N 2 0 347.422 3.422 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210416159 1372346943 /nfs/dbraw/zinc/34/69/43/1372346943.db2.gz JGTDGSGGDXPOKY-MISYRCLQSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001210486250 1372364398 /nfs/dbraw/zinc/36/43/98/1372364398.db2.gz RBBFQZLPNIVSMW-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1)c1ccccc1 ZINC001210645792 1372398737 /nfs/dbraw/zinc/39/87/37/1372398737.db2.gz UPPSNDLULGPQPW-LPUZSPFPSA-N 2 0 349.906 3.013 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001211147218 1372490208 /nfs/dbraw/zinc/49/02/08/1372490208.db2.gz PCULZYZOXKNUAZ-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001211239696 1372509536 /nfs/dbraw/zinc/50/95/36/1372509536.db2.gz CMAKCIJTDZMDIU-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001211241358 1372509792 /nfs/dbraw/zinc/50/97/92/1372509792.db2.gz SWICDDBSVFMNCE-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211247968 1372511289 /nfs/dbraw/zinc/51/12/89/1372511289.db2.gz CZPVLWILHXPLQD-UEKDZROGSA-N 2 0 343.515 3.299 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211262689 1372515293 /nfs/dbraw/zinc/51/52/93/1372515293.db2.gz WHIZIDPJGUCZTG-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP c1ccc(-c2ccc(-c3noc(C[NH2+]CC4CC[NH2+]CC4)n3)cc2)cc1 ZINC001212320732 1372685471 /nfs/dbraw/zinc/68/54/71/1372685471.db2.gz YPGGIJSAYKVMEQ-UHFFFAOYSA-N 2 0 348.450 3.493 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cccc(C(F)(F)F)c2F)no1 ZINC001212335843 1372689582 /nfs/dbraw/zinc/68/95/82/1372689582.db2.gz MQZMFQPXAIOVGK-AWEZNQCLSA-N 2 0 346.328 3.197 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356466 1373118814 /nfs/dbraw/zinc/11/88/14/1373118814.db2.gz DCYWUAHIPRQFGF-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357150 1373118905 /nfs/dbraw/zinc/11/89/05/1373118905.db2.gz SXFUHNKMDPCHLQ-PYTPGESOSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001188118472 1388244581 /nfs/dbraw/zinc/24/45/81/1388244581.db2.gz WOMYACBSNUAJKW-PKOBYXMFSA-N 2 0 345.531 3.235 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001215019697 1373157261 /nfs/dbraw/zinc/15/72/61/1373157261.db2.gz CNNSFYDFLGIEGV-RXOIRPBWSA-N 2 0 349.563 3.432 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234428 1373189676 /nfs/dbraw/zinc/18/96/76/1373189676.db2.gz UXULPVZKRYCFHN-XXCOWLKOSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215387904 1373204491 /nfs/dbraw/zinc/20/44/91/1373204491.db2.gz VPHIZXWVTNKQOS-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1cc(Cl)c(N)c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001216093098 1373262006 /nfs/dbraw/zinc/26/20/06/1373262006.db2.gz SXLGKWYNTPCCJI-UHFFFAOYSA-N 2 0 331.851 3.121 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772412 1373341139 /nfs/dbraw/zinc/34/11/39/1373341139.db2.gz BASZVNMSFNREBP-SBUVDCAVSA-N 2 0 349.563 3.435 20 0 EGADRP Cc1cc(-c2noc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)n2)ccn1 ZINC001217044906 1373382007 /nfs/dbraw/zinc/38/20/07/1373382007.db2.gz VQKSOZKHPNJALL-UHFFFAOYSA-N 2 0 349.438 3.030 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3ccc4c(c3)CC[NH2+]C4)n2)cc1 ZINC001217179104 1373400737 /nfs/dbraw/zinc/40/07/37/1373400737.db2.gz QODPGWHTNNSJJZ-UHFFFAOYSA-N 2 0 334.423 3.111 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130190410 1373471969 /nfs/dbraw/zinc/47/19/69/1373471969.db2.gz YRDCJTUATIQWAD-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205442 1388263994 /nfs/dbraw/zinc/26/39/94/1388263994.db2.gz LXOORDNYIDBJAX-UVRCQCPESA-N 2 0 347.547 3.138 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001130306313 1373488469 /nfs/dbraw/zinc/48/84/69/1373488469.db2.gz VKGZMMKALBMMOM-OXQOHEQNSA-N 2 0 339.483 3.091 20 0 EGADRP [NH3+]CC1CCC(c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)CC1 ZINC001217729548 1373496268 /nfs/dbraw/zinc/49/62/68/1373496268.db2.gz AFFWGNRCHAPRCC-VMWRSERWSA-N 2 0 340.471 3.292 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217755239 1373498976 /nfs/dbraw/zinc/49/89/76/1373498976.db2.gz FWJZRWNWGVACRF-VBQJREDUSA-N 2 0 334.851 3.297 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001130425314 1373533165 /nfs/dbraw/zinc/53/31/65/1373533165.db2.gz SZFLAICLQKKFIR-MRXNPFEDSA-N 2 0 341.499 3.337 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]Cc2ccccc2C2CC2)ccc2c[nH+]cn21 ZINC001130658592 1373576313 /nfs/dbraw/zinc/57/63/13/1373576313.db2.gz GBHUXSVFWNBABK-UHFFFAOYSA-N 2 0 348.450 3.040 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001130708785 1373583447 /nfs/dbraw/zinc/58/34/47/1373583447.db2.gz HVOKAXNFPIQPEF-ICSRJNTNSA-N 2 0 345.531 3.191 20 0 EGADRP C[NH+]1C(C)(C)CC(Oc2ccc(CN3CC[NH2+]CC3)cc2)CC1(C)C ZINC001218315618 1373594529 /nfs/dbraw/zinc/59/45/29/1373594529.db2.gz IKMIWRIFCULTFV-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP CC[C@@]1(c2cccc(OCCO[C@@H]3CC[NH2+]C3)c2)CCCC[N@H+](C)C1 ZINC001218388286 1373605276 /nfs/dbraw/zinc/60/52/76/1373605276.db2.gz QGUXAMYBBMADPC-NHCUHLMSSA-N 2 0 346.515 3.207 20 0 EGADRP [NH3+]CCc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001218390318 1373605416 /nfs/dbraw/zinc/60/54/16/1373605416.db2.gz ITWIRAWOTGHEJP-IBGZPJMESA-N 2 0 328.431 3.370 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001218742347 1373650251 /nfs/dbraw/zinc/65/02/51/1373650251.db2.gz FXLZDNRLPRJLBB-HNNXBMFYSA-N 2 0 346.862 3.058 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@H]3C[NH2+]C[C@H](c4ccccc4)C3)cc2)CCC1 ZINC001218973018 1373672943 /nfs/dbraw/zinc/67/29/43/1373672943.db2.gz VPQCRVPOJCTWSP-QZTJIDSGSA-N 2 0 349.478 3.356 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001218997693 1373676696 /nfs/dbraw/zinc/67/66/96/1373676696.db2.gz JUGZCPXVYFVRHW-SBHAEUEKSA-N 2 0 349.478 3.443 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001218999364 1373677145 /nfs/dbraw/zinc/67/71/45/1373677145.db2.gz TVOMYAXJYUUGJP-QUCCMNQESA-N 2 0 335.451 3.440 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC001131374918 1373686381 /nfs/dbraw/zinc/68/63/81/1373686381.db2.gz NVXJOPIKKSPWSZ-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2)[C@@H]1CCCC[NH2+]1 ZINC001219486382 1373711551 /nfs/dbraw/zinc/71/15/51/1373711551.db2.gz IXNXAOOUQPGWMB-PMACEKPBSA-N 2 0 341.499 3.110 20 0 EGADRP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001219954122 1373741082 /nfs/dbraw/zinc/74/10/82/1373741082.db2.gz DGPPBXMZWLVIFE-UXHICEINSA-N 2 0 343.515 3.298 20 0 EGADRP CC/C=C\CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876632 1373800702 /nfs/dbraw/zinc/80/07/02/1373800702.db2.gz MFGMTJZMONKSOD-XCNZZXELSA-N 2 0 349.563 3.388 20 0 EGADRP CC1CCC(C[NH2+]CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001131815877 1373819160 /nfs/dbraw/zinc/81/91/60/1373819160.db2.gz XSPBQRNLYBOYCM-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815523 1373819257 /nfs/dbraw/zinc/81/92/57/1373819257.db2.gz HOWZNJWNTWEJMY-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+]CCC1CCCCC1)C1CCCCC1 ZINC001131815553 1373819817 /nfs/dbraw/zinc/81/98/17/1373819817.db2.gz ITHPRWUCJZEEGE-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP Cn1cc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)cn1 ZINC001326788129 1388311026 /nfs/dbraw/zinc/31/10/26/1388311026.db2.gz XIZRHRGNDBSWMS-OAQYLSRUSA-N 2 0 347.466 3.163 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224795073 1375077175 /nfs/dbraw/zinc/07/71/75/1375077175.db2.gz CWQCNRICZKHOKA-QZPVUJMKSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001225143091 1375094590 /nfs/dbraw/zinc/09/45/90/1375094590.db2.gz SZGOYTYLGJQYRJ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC(C)(C)C ZINC001132105031 1375150009 /nfs/dbraw/zinc/15/00/09/1375150009.db2.gz AIOGSGXEAVBFFR-DLBZAZTESA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132123460 1375158169 /nfs/dbraw/zinc/15/81/69/1375158169.db2.gz DUJWXBPGFNCGNN-XOIGSVRCSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCC2)C1 ZINC001132153155 1375172797 /nfs/dbraw/zinc/17/27/97/1375172797.db2.gz NTASNLJIDYLYSC-WMZOPIPTSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132154383 1375174368 /nfs/dbraw/zinc/17/43/68/1375174368.db2.gz ZWKJMJPNUSJNMG-WMZOPIPTSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132174413 1375188790 /nfs/dbraw/zinc/18/87/90/1375188790.db2.gz UXOKTEJJVYBYOG-IMBPEULASA-N 2 0 340.471 3.273 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001226162267 1375213682 /nfs/dbraw/zinc/21/36/82/1375213682.db2.gz YRSVUCXZOYHDAA-GUDVDZBRSA-N 2 0 337.552 3.312 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCCC(C)(C)C ZINC001132264810 1375254022 /nfs/dbraw/zinc/25/40/22/1375254022.db2.gz BUBRRNBFPYSWMF-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265212 1375254167 /nfs/dbraw/zinc/25/41/67/1375254167.db2.gz JQCHMUXUMYVEAM-BTFXCVNISA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC/C=C\c1ccccc1 ZINC001132277370 1375261161 /nfs/dbraw/zinc/26/11/61/1375261161.db2.gz GEAYPWXZTBUWSG-PJKWBFRZSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309831 1375288861 /nfs/dbraw/zinc/28/88/61/1375288861.db2.gz FDCLTJIEVVTBLW-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001226613809 1375292597 /nfs/dbraw/zinc/29/25/97/1375292597.db2.gz KUPUGPYSQVGCNX-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315416 1375293053 /nfs/dbraw/zinc/29/30/53/1375293053.db2.gz SWDPJYFURFFWSK-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC001132368024 1375332083 /nfs/dbraw/zinc/33/20/83/1375332083.db2.gz HXTFAGFMRMARGI-IEYVCLCVSA-N 2 0 343.515 3.011 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1)C1CC1 ZINC001226800617 1375338433 /nfs/dbraw/zinc/33/84/33/1375338433.db2.gz NBIIYLRMUAFPLS-AQNXPRMDSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC)C1 ZINC001132420277 1375367857 /nfs/dbraw/zinc/36/78/57/1375367857.db2.gz PVUPNNUCYJFRIC-ZWKOTPCHSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132435743 1375379857 /nfs/dbraw/zinc/37/98/57/1375379857.db2.gz FUSBUBHDAWZXND-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2CC)C1 ZINC001132440561 1375385627 /nfs/dbraw/zinc/38/56/27/1375385627.db2.gz CIBUAHHMCZLDEE-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132442229 1375386423 /nfs/dbraw/zinc/38/64/23/1375386423.db2.gz XMNAYMFBUAZRTD-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CCCCC1 ZINC001132517312 1375436355 /nfs/dbraw/zinc/43/63/55/1375436355.db2.gz AUGFWGXEEZUZAW-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132518871 1375436817 /nfs/dbraw/zinc/43/68/17/1375436817.db2.gz PMPMDNOQRWHHMY-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227751087 1375470884 /nfs/dbraw/zinc/47/08/84/1375470884.db2.gz WVOJNZVBWOURAE-RCCFBDPRSA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CC2)CCCC1 ZINC001227750552 1375471059 /nfs/dbraw/zinc/47/10/59/1375471059.db2.gz LHPFAZOMUZKLPK-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227798267 1375477381 /nfs/dbraw/zinc/47/73/81/1375477381.db2.gz VVQFTBDSTLSGOM-PMACEKPBSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC[NH+](CC3CCC4(CC4)CC3)CC2)CCC1 ZINC001227807262 1375477911 /nfs/dbraw/zinc/47/79/11/1375477911.db2.gz PWXWVGDYYXJZCX-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001228064985 1375514331 /nfs/dbraw/zinc/51/43/31/1375514331.db2.gz MKPZMTVUMPLAKC-UHFFFAOYSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001132739837 1375539078 /nfs/dbraw/zinc/53/90/78/1375539078.db2.gz WEESZDJOIYSFMX-RBUKOAKNSA-N 2 0 345.531 3.192 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001132956210 1375671931 /nfs/dbraw/zinc/67/19/31/1375671931.db2.gz AFRSDTJKCBRFOZ-LJQANCHMSA-N 2 0 329.488 3.484 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001228801732 1375682218 /nfs/dbraw/zinc/68/22/18/1375682218.db2.gz WONMDOMLAFLIPX-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133011832 1375710273 /nfs/dbraw/zinc/71/02/73/1375710273.db2.gz NFGJHYNRPVXIAA-OALUTQOASA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001228932562 1375720095 /nfs/dbraw/zinc/72/00/95/1375720095.db2.gz PWMACNJFMKNSJS-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001229058198 1375754011 /nfs/dbraw/zinc/75/40/11/1375754011.db2.gz FPJWHEODYHLOCM-HNAYVOBHSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1)[NH+](CC)CC ZINC001229171952 1375780310 /nfs/dbraw/zinc/78/03/10/1375780310.db2.gz SOOTYFDBBNFGGA-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001229172056 1375780862 /nfs/dbraw/zinc/78/08/62/1375780862.db2.gz UZQYZGSUEWOWER-IEBWSBKVSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)C(C)C ZINC001229655909 1375872899 /nfs/dbraw/zinc/87/28/99/1375872899.db2.gz UHLUQPGRKGZARQ-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133263250 1375879186 /nfs/dbraw/zinc/87/91/86/1375879186.db2.gz RLLOPEZDTQUICP-JNVNVXKGSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001229860731 1375906942 /nfs/dbraw/zinc/90/69/42/1375906942.db2.gz ZXODUTYYSJJGKG-RTBURBONSA-N 2 0 349.494 3.015 20 0 EGADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001133310953 1375915216 /nfs/dbraw/zinc/91/52/16/1375915216.db2.gz TXHHQSHDKCMQED-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](C[C@@H](F)CC)CC1 ZINC001230017451 1375931424 /nfs/dbraw/zinc/93/14/24/1375931424.db2.gz VYYLVJIDBLMZBJ-KRWDZBQOSA-N 2 0 343.531 3.217 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133347583 1375935489 /nfs/dbraw/zinc/93/54/89/1375935489.db2.gz XUBCGPRIOGEUKX-VXOKQSJXSA-N 2 0 337.552 3.147 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001230141233 1375950512 /nfs/dbraw/zinc/95/05/12/1375950512.db2.gz BMGMQMARKHVHQK-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001230274646 1375979971 /nfs/dbraw/zinc/97/99/71/1375979971.db2.gz DRMVAOOSYFIQPO-KURKYZTESA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001230598058 1376092823 /nfs/dbraw/zinc/09/28/23/1376092823.db2.gz DDCRMMJYGSRNCJ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1)C(C)C ZINC001230611645 1376102014 /nfs/dbraw/zinc/10/20/14/1376102014.db2.gz WXFUNTGZWQMFHV-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1)C(C)C ZINC001230611646 1376102561 /nfs/dbraw/zinc/10/25/61/1376102561.db2.gz WXFUNTGZWQMFHV-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc2ccccc2c1)[NH+](CC)CC ZINC001133690913 1376157717 /nfs/dbraw/zinc/15/77/17/1376157717.db2.gz WZAFXVDFKVVYLB-FQEVSTJZSA-N 2 0 341.499 3.166 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001133965926 1376289571 /nfs/dbraw/zinc/28/95/71/1376289571.db2.gz PWFAMUKBTDOWLC-YJBOKZPZSA-N 2 0 333.520 3.091 20 0 EGADRP c1c2c[nH+]ccc2[nH]c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232014566 1376383418 /nfs/dbraw/zinc/38/34/18/1376383418.db2.gz QTSBJRBIQIQKBA-KDURUIRLSA-N 2 0 332.451 3.127 20 0 EGADRP CC(C)(C)OC(=O)N1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC12CC2 ZINC001232015841 1376384861 /nfs/dbraw/zinc/38/48/61/1376384861.db2.gz MYTDYEZGRZVTBC-UHFFFAOYSA-N 2 0 342.443 3.148 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369531 1376498071 /nfs/dbraw/zinc/49/80/71/1376498071.db2.gz NRJLXXVDXPVVFF-QZTJIDSGSA-N 2 0 345.531 3.324 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001134612411 1376624444 /nfs/dbraw/zinc/62/44/44/1376624444.db2.gz MDQJBFZXTGFHBI-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730229 1376683133 /nfs/dbraw/zinc/68/31/33/1376683133.db2.gz USXDGWMWIUBRGZ-WIJVFFIESA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001134762987 1376707125 /nfs/dbraw/zinc/70/71/25/1376707125.db2.gz JTPOEEJYDQUPCG-FQEVSTJZSA-N 2 0 345.531 3.279 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001134766776 1376710234 /nfs/dbraw/zinc/71/02/34/1376710234.db2.gz LZRVNVGDPGISEP-KUMUZEIWSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791560 1376725265 /nfs/dbraw/zinc/72/52/65/1376725265.db2.gz TZUBDRFYUYLEKF-HZPDHXFCSA-N 2 0 337.552 3.312 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)[NH+](CC)CC ZINC001189110770 1388460538 /nfs/dbraw/zinc/46/05/38/1388460538.db2.gz SLGIVBGVLOVFEH-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]c(=O)c3ccccc13)CC2 ZINC001234015999 1376754439 /nfs/dbraw/zinc/75/44/39/1376754439.db2.gz BDYDNEIKAAGHGZ-UHFFFAOYSA-N 2 0 325.456 3.248 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888394 1376769506 /nfs/dbraw/zinc/76/95/06/1376769506.db2.gz MIRPMJJNHUFDOI-GJZGRUSLSA-N 2 0 328.460 3.011 20 0 EGADRP COC(=O)c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])cc2)cc1 ZINC001235254638 1376864648 /nfs/dbraw/zinc/86/46/48/1376864648.db2.gz KLBDSISWHDOTEF-UFYCRDLUSA-N 2 0 336.435 3.062 20 0 EGADRP COc1ccc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235429732 1376870842 /nfs/dbraw/zinc/87/08/42/1376870842.db2.gz RERONZQEVPHUQO-CVEARBPZSA-N 2 0 327.472 3.388 20 0 EGADRP Clc1ccn2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430403 1376871701 /nfs/dbraw/zinc/87/17/01/1376871701.db2.gz XDRRRNFKCYEFHO-GJZGRUSLSA-N 2 0 332.879 3.199 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCCC1)[NH+](C)C ZINC001235589488 1376876864 /nfs/dbraw/zinc/87/68/64/1376876864.db2.gz SDVMVEYGLAKCSQ-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076934 1376881305 /nfs/dbraw/zinc/88/13/05/1376881305.db2.gz JGCRCPJMLXDDNS-IAGOWNOFSA-N 2 0 325.541 3.314 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081004 1376884123 /nfs/dbraw/zinc/88/41/23/1376884123.db2.gz FMFQAOXGVQADMS-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1C ZINC001235702330 1376884426 /nfs/dbraw/zinc/88/44/26/1376884426.db2.gz SEWCZZIXDVSHEN-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP Clc1ccc([C@H]2C[NH2+]CCN2Cc2cccc3c[nH+]cn32)cc1 ZINC001235814739 1376897513 /nfs/dbraw/zinc/89/75/13/1376897513.db2.gz MUWZCWPHGGKLGT-GOSISDBHSA-N 2 0 326.831 3.134 20 0 EGADRP Cc1ccc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)c2ccccc12 ZINC001235816748 1376898907 /nfs/dbraw/zinc/89/89/07/1376898907.db2.gz YIKOJJPAWSJPIN-UHFFFAOYSA-N 2 0 337.511 3.408 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135101537 1376900352 /nfs/dbraw/zinc/90/03/52/1376900352.db2.gz MOFNWGZMSSDBDG-QZTJIDSGSA-N 2 0 345.531 3.243 20 0 EGADRP c1ccc(C[C@@H]2C[NH2+]CCN2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235846952 1376901083 /nfs/dbraw/zinc/90/10/83/1376901083.db2.gz AMPKTWGEQWPTEO-DHIUTWEWSA-N 2 0 349.522 3.025 20 0 EGADRP Cc1c(C)c(C)c(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)c(C)c1C ZINC001236129665 1376934443 /nfs/dbraw/zinc/93/44/43/1376934443.db2.gz XMIDUORUMDCLTR-UHFFFAOYSA-N 2 0 329.532 3.098 20 0 EGADRP CC[NH+]1CCC(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236387860 1376951932 /nfs/dbraw/zinc/95/19/32/1376951932.db2.gz HERMTOMYOJQQQE-FQEVSTJZSA-N 2 0 333.495 3.112 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180361 1376952963 /nfs/dbraw/zinc/95/29/63/1376952963.db2.gz GDCIYQARQGMLCR-ROUUACIJSA-N 2 0 345.531 3.242 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297800 1377026079 /nfs/dbraw/zinc/02/60/79/1377026079.db2.gz HQTCAGHJSIBNOA-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)CCC[NH+](C)C ZINC001135314444 1377033370 /nfs/dbraw/zinc/03/33/70/1377033370.db2.gz BFXKZOCQIDIVOJ-IAGOWNOFSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1ccc(CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135315084 1377033964 /nfs/dbraw/zinc/03/39/64/1377033964.db2.gz LDIXBBKQMHYLTE-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001135337251 1377044739 /nfs/dbraw/zinc/04/47/39/1377044739.db2.gz XTMILBXLAOXBMH-MSOLQXFVSA-N 2 0 345.531 3.284 20 0 EGADRP COc1ccc(Br)cc1CC[NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246158158 1377050451 /nfs/dbraw/zinc/05/04/51/1377050451.db2.gz HLKXDEDMXIZWAD-VXGBXAGGSA-N 2 0 341.293 3.119 20 0 EGADRP CCOC(=O)C[C@H]([NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246293487 1377050778 /nfs/dbraw/zinc/05/07/78/1377050778.db2.gz ROAABCKJEXSNLF-BJLQDIEVSA-N 2 0 330.472 3.193 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246291725 1377051150 /nfs/dbraw/zinc/05/11/50/1377051150.db2.gz UUEARIBVXOPXGG-LIMACUPBSA-N 3 0 327.516 3.255 20 0 EGADRP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246379524 1377051597 /nfs/dbraw/zinc/05/15/97/1377051597.db2.gz PRTJCQCYQZOHSS-PKOBYXMFSA-N 2 0 331.479 3.049 20 0 EGADRP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[NH2+][C@@H](CC(C)C)C2)CC[NH2+]1 ZINC001246822688 1377055168 /nfs/dbraw/zinc/05/51/68/1377055168.db2.gz MQZBNFOJZOSTKU-NSHGMRRFSA-N 2 0 333.495 3.247 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)CC[NH+](C)C ZINC001135371648 1377059513 /nfs/dbraw/zinc/05/95/13/1377059513.db2.gz HDTFATNMSRIYAR-IRXDYDNUSA-N 2 0 347.547 3.309 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC1CCC(F)(F)CC1 ZINC001135437488 1377097501 /nfs/dbraw/zinc/09/75/01/1377097501.db2.gz VZMJSBJLPDEKQK-UHFFFAOYSA-N 2 0 347.494 3.030 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001135437476 1377097644 /nfs/dbraw/zinc/09/76/44/1377097644.db2.gz VJZVYMHVNGNXFU-UHFFFAOYSA-N 2 0 339.911 3.058 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2F ZINC001135441088 1377099547 /nfs/dbraw/zinc/09/95/47/1377099547.db2.gz YZDMOCFOXUSCHK-IBGZPJMESA-N 2 0 349.494 3.031 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H](CC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001254509468 1377105721 /nfs/dbraw/zinc/10/57/21/1377105721.db2.gz OHPNOWZQIVEODE-MOPGFXCFSA-N 2 0 346.515 3.403 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001254528035 1377107377 /nfs/dbraw/zinc/10/73/77/1377107377.db2.gz BSKBFQOKKXVBCR-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC001135468749 1377107887 /nfs/dbraw/zinc/10/78/87/1377107887.db2.gz SRZRYHCNFUQQAR-ROUUACIJSA-N 2 0 345.531 3.100 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC001135468747 1377108141 /nfs/dbraw/zinc/10/81/41/1377108141.db2.gz SRZRYHCNFUQQAR-MSOLQXFVSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CCC1CCCCCC1)C(C)C ZINC001135474020 1377110002 /nfs/dbraw/zinc/11/00/02/1377110002.db2.gz DNUWHKITIUIDNI-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)c1ccccc1 ZINC001135474299 1377110246 /nfs/dbraw/zinc/11/02/46/1377110246.db2.gz MONYUHUSZVXEHG-RTBURBONSA-N 2 0 333.520 3.210 20 0 EGADRP CC(C)CC[C@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001256365805 1377111523 /nfs/dbraw/zinc/11/15/23/1377111523.db2.gz TVDFMUMCTDUARU-DFQSSKMNSA-N 2 0 349.563 3.218 20 0 EGADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C(CC(C)C)CC(C)C)CC[C@@H]2C1 ZINC001258834969 1377119601 /nfs/dbraw/zinc/11/96/01/1377119601.db2.gz OZXCUWILTIDWJP-UYAOXDASSA-N 2 0 340.552 3.116 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614299 1377162382 /nfs/dbraw/zinc/16/23/82/1377162382.db2.gz QEDJWXKQPVXEAS-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676412 1377180903 /nfs/dbraw/zinc/18/09/03/1377180903.db2.gz WOKSDFCZIMEILJ-DLBZAZTESA-N 2 0 345.531 3.425 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135705333 1377190172 /nfs/dbraw/zinc/19/01/72/1377190172.db2.gz AISOPHVNCNTEMA-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CC(C)(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC001135718481 1377193684 /nfs/dbraw/zinc/19/36/84/1377193684.db2.gz SWNVGOWAXAXETD-IBGZPJMESA-N 2 0 343.515 3.204 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001135908291 1377258223 /nfs/dbraw/zinc/25/82/23/1377258223.db2.gz WDDIKTQKHFOHGX-ZWKOTPCHSA-N 2 0 327.557 3.418 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961523 1377277631 /nfs/dbraw/zinc/27/76/31/1377277631.db2.gz RWMHAEGVMCKAIN-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135965249 1377278253 /nfs/dbraw/zinc/27/82/53/1377278253.db2.gz BGKXQDNFILBHGN-QZTJIDSGSA-N 2 0 333.520 3.100 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961944 1377278401 /nfs/dbraw/zinc/27/84/01/1377278401.db2.gz ZEKDSFKQWVZYQM-QZTJIDSGSA-N 2 0 333.520 3.100 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCCC[NH+](C)C ZINC001135974154 1377283084 /nfs/dbraw/zinc/28/30/84/1377283084.db2.gz JJOGSVWMYJXOFV-ZWKOTPCHSA-N 2 0 337.552 3.482 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135978982 1377284867 /nfs/dbraw/zinc/28/48/67/1377284867.db2.gz AHIQTXMMHTZHJM-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccc(CC)cc1 ZINC001135980301 1377285807 /nfs/dbraw/zinc/28/58/07/1377285807.db2.gz NIYQNQFNMFQWES-MSOLQXFVSA-N 2 0 347.547 3.006 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135980329 1377286279 /nfs/dbraw/zinc/28/62/79/1377286279.db2.gz NVKPUFLAWMWRSV-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135981130 1377286293 /nfs/dbraw/zinc/28/62/93/1377286293.db2.gz YOACEWUNNKLUFN-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135995150 1377291877 /nfs/dbraw/zinc/29/18/77/1377291877.db2.gz AAEPVMZJXMVFEN-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001266360647 1377295256 /nfs/dbraw/zinc/29/52/56/1377295256.db2.gz ALXOGFQZERQDDB-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001266819652 1377386303 /nfs/dbraw/zinc/38/63/03/1377386303.db2.gz COCUGHBLYUWHNJ-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001267071118 1377410087 /nfs/dbraw/zinc/41/00/87/1377410087.db2.gz DQBSRNHMWZUFHI-FUHWJXTLSA-N 2 0 345.531 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001267090249 1377411767 /nfs/dbraw/zinc/41/17/67/1377411767.db2.gz IAJNMOZXFGHGOO-VQTJNVASSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267393363 1377444188 /nfs/dbraw/zinc/44/41/88/1377444188.db2.gz DHOXNUHZBYSYKS-AZUAARDMSA-N 2 0 345.531 3.224 20 0 EGADRP COc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001137035717 1377462030 /nfs/dbraw/zinc/46/20/30/1377462030.db2.gz CUOHCSWPORRPNQ-UHFFFAOYSA-N 2 0 341.455 3.171 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccccc3-n3cccn3)CC2)CC1 ZINC001137099455 1377477824 /nfs/dbraw/zinc/47/78/24/1377477824.db2.gz OTTGDTJLRUTESL-UHFFFAOYSA-N 2 0 338.499 3.426 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234610 1377544715 /nfs/dbraw/zinc/54/47/15/1377544715.db2.gz BKCPRTNAHQTCPI-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCc1ccccc1C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269345464 1377552452 /nfs/dbraw/zinc/55/24/52/1377552452.db2.gz RIQGNIVORFJNAG-PMACEKPBSA-N 2 0 345.531 3.012 20 0 EGADRP CCC[NH+]1CCC(Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)CC1 ZINC001327376152 1388508855 /nfs/dbraw/zinc/50/88/55/1388508855.db2.gz RBXVURXUBFFWIC-UHFFFAOYSA-N 2 0 330.520 3.033 20 0 EGADRP CC(C)Oc1cccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001138986677 1377812941 /nfs/dbraw/zinc/81/29/41/1377812941.db2.gz UWXPFRPEFHTESX-UHFFFAOYSA-N 2 0 335.536 3.179 20 0 EGADRP Cc1cnccc1O[C@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139074685 1377824523 /nfs/dbraw/zinc/82/45/23/1377824523.db2.gz PQLQTIPCUNIPOS-AWEZNQCLSA-N 2 0 346.814 3.425 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139168172 1377842996 /nfs/dbraw/zinc/84/29/96/1377842996.db2.gz JEROCNIEGLABAK-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(N3CCCCC3)nc1)CC2 ZINC001139345223 1377871233 /nfs/dbraw/zinc/87/12/33/1377871233.db2.gz HJSYZXWFJCDODE-UHFFFAOYSA-N 2 0 342.531 3.380 20 0 EGADRP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccnnc2)CC3)c1 ZINC001139982084 1377986852 /nfs/dbraw/zinc/98/68/52/1377986852.db2.gz ATQYMAQBELFHHR-UHFFFAOYSA-N 2 0 328.485 3.026 20 0 EGADRP CCCN(CCC[NH+](C)C)Cc1cnc(-c2cccc(OC)c2)nc1 ZINC001140193940 1378030199 /nfs/dbraw/zinc/03/01/99/1378030199.db2.gz MWVRZVOVCCTLNS-UHFFFAOYSA-N 2 0 342.487 3.316 20 0 EGADRP Cc1cc(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1O ZINC001140573724 1378087055 /nfs/dbraw/zinc/08/70/55/1378087055.db2.gz RMRAQKYLZCZTIU-FQEVSTJZSA-N 2 0 332.488 3.023 20 0 EGADRP OCc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)o1 ZINC001140679777 1378112933 /nfs/dbraw/zinc/11/29/33/1378112933.db2.gz BIDURFJDMIHSHL-UHFFFAOYSA-N 2 0 346.496 3.322 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001275391250 1378139369 /nfs/dbraw/zinc/13/93/69/1378139369.db2.gz BNDJULIBNYELRA-ZWKOTPCHSA-N 2 0 345.531 3.271 20 0 EGADRP Nc1cccc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001276492405 1378175610 /nfs/dbraw/zinc/17/56/10/1378175610.db2.gz MOSRWEIWOHPKJQ-UHFFFAOYSA-N 2 0 328.504 3.284 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001140967815 1378195690 /nfs/dbraw/zinc/19/56/90/1378195690.db2.gz CYDIRNSMWFOMGH-FQEVSTJZSA-N 2 0 336.483 3.171 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001140967817 1378196334 /nfs/dbraw/zinc/19/63/34/1378196334.db2.gz CYDIRNSMWFOMGH-HXUWFJFHSA-N 2 0 336.483 3.171 20 0 EGADRP C[N@H+](CCc1ccccc1F)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974487 1378198088 /nfs/dbraw/zinc/19/80/88/1378198088.db2.gz AEEHGTGHGVKFRW-UHFFFAOYSA-N 2 0 341.474 3.252 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001277382143 1378220922 /nfs/dbraw/zinc/22/09/22/1378220922.db2.gz HOCIMXIETAGOME-IBGZPJMESA-N 2 0 337.552 3.412 20 0 EGADRP CCSc1ccccc1C[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001277463823 1378223929 /nfs/dbraw/zinc/22/39/29/1378223929.db2.gz PIPRNGAIPHRJRV-UHFFFAOYSA-N 2 0 347.572 3.258 20 0 EGADRP CCSc1ccccc1C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277463674 1378224207 /nfs/dbraw/zinc/22/42/07/1378224207.db2.gz NQYUYXMIAPWJGD-UHFFFAOYSA-N 2 0 347.572 3.258 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CC[C@H](C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001278131920 1378259028 /nfs/dbraw/zinc/25/90/28/1378259028.db2.gz NUBMTGGYBLUNJW-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](CCCCF)C[C@H]2CC1 ZINC001278205630 1378262313 /nfs/dbraw/zinc/26/23/13/1378262313.db2.gz PPSRTSXNSPKLRH-IYBDPMFKSA-N 2 0 325.497 3.345 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3cccc(-n4ccnc4)c3)CC2)CC1 ZINC001141242761 1378281609 /nfs/dbraw/zinc/28/16/09/1378281609.db2.gz IADJWFTZIBFMPC-UHFFFAOYSA-N 2 0 338.499 3.426 20 0 EGADRP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC001327513529 1388543509 /nfs/dbraw/zinc/54/35/09/1388543509.db2.gz XJDPTFMNAXZNKJ-GOEBONIOSA-N 2 0 344.434 3.055 20 0 EGADRP Cc1nc[nH]c1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001141455153 1378328108 /nfs/dbraw/zinc/32/81/08/1378328108.db2.gz DVCHAYNBFUUJDG-AWEZNQCLSA-N 2 0 326.444 3.131 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001281950244 1378462093 /nfs/dbraw/zinc/46/20/93/1378462093.db2.gz SUXQZIGPMYCTJM-LJQANCHMSA-N 2 0 345.531 3.127 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(CC(=O)OC)cc2)CC1 ZINC001142912478 1378508359 /nfs/dbraw/zinc/50/83/59/1378508359.db2.gz JFGGYKDHASJHCB-UHFFFAOYSA-N 2 0 332.488 3.098 20 0 EGADRP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001282664730 1378535590 /nfs/dbraw/zinc/53/55/90/1378535590.db2.gz JTAAOWAAPGBGCH-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)CC1 ZINC001143313195 1378577776 /nfs/dbraw/zinc/57/77/76/1378577776.db2.gz WGZMNZKPEMEMNH-UHFFFAOYSA-N 2 0 349.478 3.483 20 0 EGADRP COc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1OC(F)(F)F ZINC001143879178 1378656504 /nfs/dbraw/zinc/65/65/04/1378656504.db2.gz AKDKLKIOHJWYOQ-UHFFFAOYSA-N 2 0 344.377 3.121 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(-n2cccc2)cc1 ZINC001144245792 1378704437 /nfs/dbraw/zinc/70/44/37/1378704437.db2.gz FZMHBLJDZXUDAB-UHFFFAOYSA-N 2 0 342.531 3.183 20 0 EGADRP CCc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146599606 1378874532 /nfs/dbraw/zinc/87/45/32/1378874532.db2.gz CGDCCQNXMRZBCS-ZWKOTPCHSA-N 2 0 347.547 3.005 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146614315 1378877833 /nfs/dbraw/zinc/87/78/33/1378877833.db2.gz XTDUPRGHPGHDBE-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001147359179 1379008152 /nfs/dbraw/zinc/00/81/52/1379008152.db2.gz NGDDQJYJXDGUDY-APWZRJJASA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001147359191 1379008190 /nfs/dbraw/zinc/00/81/90/1379008190.db2.gz NPOHRLBGEUAODY-IBGZPJMESA-N 2 0 335.536 3.237 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001147658676 1379056419 /nfs/dbraw/zinc/05/64/19/1379056419.db2.gz WYBALOBCZJEGLU-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001147716568 1379064476 /nfs/dbraw/zinc/06/44/76/1379064476.db2.gz HSKANZZJXWZZLY-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147840942 1379089433 /nfs/dbraw/zinc/08/94/33/1379089433.db2.gz GLKUHYISKFNPIK-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2)[NH+](CC)CC ZINC001148285105 1379146270 /nfs/dbraw/zinc/14/62/70/1379146270.db2.gz MOCHKQORLUBZPB-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001148833615 1379278996 /nfs/dbraw/zinc/27/89/96/1379278996.db2.gz DQVVNLVEMKSLNC-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001284025346 1379373632 /nfs/dbraw/zinc/37/36/32/1379373632.db2.gz IVSDLVGIGLIZAS-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCCC1CCC1 ZINC001284128599 1379505800 /nfs/dbraw/zinc/50/58/00/1379505800.db2.gz NEVZDZQIAHSMKK-QFBILLFUSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)[C@H]1C ZINC001284152558 1379548230 /nfs/dbraw/zinc/54/82/30/1379548230.db2.gz IIDMBOXNATZAJR-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001152383613 1379923209 /nfs/dbraw/zinc/92/32/09/1379923209.db2.gz IHVYDPZFYXAFCM-ROUUACIJSA-N 2 0 345.531 3.284 20 0 EGADRP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392920 1379925504 /nfs/dbraw/zinc/92/55/04/1379925504.db2.gz YPWPTEVZCOUHAW-YLJYHZDGSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001152458380 1379936967 /nfs/dbraw/zinc/93/69/67/1379936967.db2.gz OLUPCFWFCQWTLQ-YLJYHZDGSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001152479485 1379940707 /nfs/dbraw/zinc/94/07/07/1379940707.db2.gz GOJMPQXJVRWTMB-LJQANCHMSA-N 2 0 335.536 3.093 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001284612989 1380012422 /nfs/dbraw/zinc/01/24/22/1380012422.db2.gz AIVZHVSBHWERSY-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CC2CCC(C)CC2)o1 ZINC001153266401 1380046731 /nfs/dbraw/zinc/04/67/31/1380046731.db2.gz IVRWJNJUJKNUCP-UHFFFAOYSA-N 2 0 349.519 3.267 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313647 1380054171 /nfs/dbraw/zinc/05/41/71/1380054171.db2.gz UTBSKUBNJJFETK-MSOLQXFVSA-N 2 0 325.541 3.122 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819054 1380136047 /nfs/dbraw/zinc/13/60/47/1380136047.db2.gz LPJUVNIFSBFZFR-IEBWSBKVSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854447 1380144403 /nfs/dbraw/zinc/14/44/03/1380144403.db2.gz CAJPKYIZQQZLSH-LXPRWKDFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990419 1380171794 /nfs/dbraw/zinc/17/17/94/1380171794.db2.gz DUKPCGGNOAEAFD-QULHZPMSSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001154010175 1380177541 /nfs/dbraw/zinc/17/75/41/1380177541.db2.gz VIVFOMVFQHSXIM-UYAOXDASSA-N 2 0 347.547 3.279 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034004 1380187342 /nfs/dbraw/zinc/18/73/42/1380187342.db2.gz SMBUNHGYPHIVOH-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)cc(C)c1 ZINC001154069356 1380198581 /nfs/dbraw/zinc/19/85/81/1380198581.db2.gz AKEAJKZDUMHSTL-GOSISDBHSA-N 2 0 347.547 3.360 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCC1=CCCCC1 ZINC001154070177 1380198596 /nfs/dbraw/zinc/19/85/96/1380198596.db2.gz ROAZQVPMZDHARG-QGZVFWFLSA-N 2 0 337.552 3.434 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348235 1380261647 /nfs/dbraw/zinc/26/16/47/1380261647.db2.gz WWIBVYLFPNBSPX-FYCOFBDGSA-N 2 0 328.460 3.131 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580214 1380308977 /nfs/dbraw/zinc/30/89/77/1380308977.db2.gz RKSXFBDHONIOIQ-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC)C1 ZINC001154784640 1380350600 /nfs/dbraw/zinc/35/06/00/1380350600.db2.gz JLTMMRNDOXNBRU-IEBWSBKVSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888023 1380372988 /nfs/dbraw/zinc/37/29/88/1380372988.db2.gz ITAOJOCPJKZHKB-MRXNPFEDSA-N 2 0 337.508 3.218 20 0 EGADRP CC[N@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155084619 1380405315 /nfs/dbraw/zinc/40/53/15/1380405315.db2.gz AXJFUAQYMUDSNE-JWHDQAAXSA-N 2 0 339.568 3.226 20 0 EGADRP COc1cc2c[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)cc2cc1OC ZINC001155119900 1380412406 /nfs/dbraw/zinc/41/24/06/1380412406.db2.gz SIDUSMOCRLAXJU-SFHVURJKSA-N 2 0 333.407 3.146 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249653 1380429134 /nfs/dbraw/zinc/42/91/34/1380429134.db2.gz PFESNWHEAAEDPM-ZWKOTPCHSA-N 2 0 347.547 3.277 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001155289399 1380433911 /nfs/dbraw/zinc/43/39/11/1380433911.db2.gz QJAWVVIXOIZXNF-UZLBHIALSA-N 2 0 345.531 3.231 20 0 EGADRP COc1cccc(N(c2cc(-n3ccnc3)cc[nH+]2)C2CC[NH2+]CC2)c1 ZINC001155614484 1380473842 /nfs/dbraw/zinc/47/38/42/1380473842.db2.gz UDROVSIVKYAPHT-UHFFFAOYSA-N 2 0 349.438 3.166 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC[C@H](C)F ZINC001155878163 1380501754 /nfs/dbraw/zinc/50/17/54/1380501754.db2.gz WHIQLUPKZFDEEK-DLBZAZTESA-N 2 0 331.520 3.073 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC=C(C)C ZINC001156305590 1380555076 /nfs/dbraw/zinc/55/50/76/1380555076.db2.gz FCKZYBHLRBOFAC-MOPGFXCFSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465874 1380579450 /nfs/dbraw/zinc/57/94/50/1380579450.db2.gz GDWCQHQAMDBQSU-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475783 1380581053 /nfs/dbraw/zinc/58/10/53/1380581053.db2.gz UIGWSKOKJKAAOG-QZTJIDSGSA-N 2 0 327.557 3.227 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CCC2(CC2)CC1 ZINC001156530409 1380588657 /nfs/dbraw/zinc/58/86/57/1380588657.db2.gz ONOCWEQVOBUMQM-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118576 1380780035 /nfs/dbraw/zinc/78/00/35/1380780035.db2.gz IJKQGVSAHRLUSE-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138239 1380783907 /nfs/dbraw/zinc/78/39/07/1380783907.db2.gz PYZPCYQDMUCHLT-QGZVFWFLSA-N 2 0 331.504 3.155 20 0 EGADRP Cc1cc2ccccc2c(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)n1 ZINC001157841649 1381049552 /nfs/dbraw/zinc/04/95/52/1381049552.db2.gz IHLVLPJKILTEKX-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001157893815 1381064321 /nfs/dbraw/zinc/06/43/21/1381064321.db2.gz NNGVYOCOTDFKSB-VQTJNVASSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CC1 ZINC001158061570 1381117268 /nfs/dbraw/zinc/11/72/68/1381117268.db2.gz OPTYBSHWFWTOKR-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186790 1381151714 /nfs/dbraw/zinc/15/17/14/1381151714.db2.gz YACWZABQJPSCLH-NVXWUHKLSA-N 2 0 346.450 3.009 20 0 EGADRP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186093 1381152490 /nfs/dbraw/zinc/15/24/90/1381152490.db2.gz MMCKEIONFQBFAU-IAGOWNOFSA-N 2 0 346.450 3.009 20 0 EGADRP COc1ccnc(N(c2[nH+]c(C)cc3[nH]ccc32)C2CC[NH2+]CC2)c1 ZINC001158322998 1381199755 /nfs/dbraw/zinc/19/97/55/1381199755.db2.gz RWYNITGJXMJKQH-UHFFFAOYSA-N 2 0 337.427 3.165 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC(C)(C)C)CC1 ZINC001158419368 1381240116 /nfs/dbraw/zinc/24/01/16/1381240116.db2.gz MSQYPVSWKRLDGN-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158446078 1381247885 /nfs/dbraw/zinc/24/78/85/1381247885.db2.gz RLEZQNIUERUSFR-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001328280706 1388711642 /nfs/dbraw/zinc/71/16/42/1388711642.db2.gz AEAWTLQRUBQCIO-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158624913 1381329310 /nfs/dbraw/zinc/32/93/10/1381329310.db2.gz HCHHUOCZPIBQMJ-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC3(C2)CCC[NH2+]C3)nc1 ZINC001159025223 1381518939 /nfs/dbraw/zinc/51/89/39/1381518939.db2.gz OBRCLQAHYMAJBE-SFHVURJKSA-N 2 0 328.504 3.208 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc(C(C)(C)C[NH3+])cc2)cn1 ZINC001159580763 1381835692 /nfs/dbraw/zinc/83/56/92/1381835692.db2.gz ZDHRWHRDTDWYEV-UHFFFAOYSA-N 2 0 342.487 3.392 20 0 EGADRP [NH3+]CCOc1ccc(Nc2ccc(COC3CC[NH2+]CC3)cc2)cc1 ZINC001159690206 1381868993 /nfs/dbraw/zinc/86/89/93/1381868993.db2.gz NFCXSRPDIIOIAN-UHFFFAOYSA-N 2 0 341.455 3.036 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001159786847 1381899777 /nfs/dbraw/zinc/89/97/77/1381899777.db2.gz LKBCNOJPNCDWLW-CQSZACIVSA-N 2 0 347.875 3.447 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159911472 1381935368 /nfs/dbraw/zinc/93/53/68/1381935368.db2.gz YXDYOBPUMXASJC-MOPGFXCFSA-N 2 0 345.531 3.415 20 0 EGADRP [NH3+][C@H]1CCc2c3ccccc3n(-c3cc(N4CCCC4)cc[nH+]3)c2C1 ZINC001159947547 1381946391 /nfs/dbraw/zinc/94/63/91/1381946391.db2.gz FDKROKFUHASPAG-HNNXBMFYSA-N 2 0 332.451 3.442 20 0 EGADRP Nc1cc(F)ccc1N(CC1CC[NH2+]CC1)c1ccc2c[nH+]cn2c1 ZINC001160098685 1381996102 /nfs/dbraw/zinc/99/61/02/1381996102.db2.gz GPRRKAYVDKCFTI-UHFFFAOYSA-N 2 0 339.418 3.193 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160121308 1382004476 /nfs/dbraw/zinc/00/44/76/1382004476.db2.gz WJRXDEXFKDPWOC-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175536 1382025418 /nfs/dbraw/zinc/02/54/18/1382025418.db2.gz XJUSGAMISDXLSU-NLWGTHIKSA-N 2 0 349.563 3.147 20 0 EGADRP c1ccc(OCC2CC[NH2+]CC2)c(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001160187583 1382028423 /nfs/dbraw/zinc/02/84/23/1382028423.db2.gz KWWJMPKKYVTGSI-UHFFFAOYSA-N 2 0 337.467 3.454 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)c1F ZINC001160232835 1382042382 /nfs/dbraw/zinc/04/23/82/1382042382.db2.gz FKQIODAMSMUMOA-OAHLLOKOSA-N 2 0 329.419 3.420 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160286173 1382061672 /nfs/dbraw/zinc/06/16/72/1382061672.db2.gz OLEWYSHXDRTAII-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@H+](CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1)C1CCC1 ZINC001160386312 1382090867 /nfs/dbraw/zinc/09/08/67/1382090867.db2.gz SCGDUDSPTVENDR-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP c1ccc(C[N@H+]2CC=C(Nc3cccc4c3[C@@H]3C[NH2+]C[C@H]3O4)CC2)cc1 ZINC001160397369 1382093537 /nfs/dbraw/zinc/09/35/37/1382093537.db2.gz XTPPXDGBFHMLEE-WIYYLYMNSA-N 2 0 347.462 3.336 20 0 EGADRP [NH3+]Cc1ccc(Nc2cc(-n3ccnc3)cc[nH+]2)c(C(F)(F)F)c1 ZINC001160423976 1382100271 /nfs/dbraw/zinc/10/02/71/1382100271.db2.gz VFMZUKRWKGOLPY-UHFFFAOYSA-N 2 0 333.317 3.488 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)co2)cc1 ZINC001328492822 1388763895 /nfs/dbraw/zinc/76/38/95/1388763895.db2.gz QMIGSJLAKVSXSW-UHFFFAOYSA-N 2 0 341.455 3.316 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001161036472 1382278713 /nfs/dbraw/zinc/27/87/13/1382278713.db2.gz JWHJNYZXBDZNQF-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]([NH3+])CC3CCCC3)CC2)CC1 ZINC001161047403 1382283036 /nfs/dbraw/zinc/28/30/36/1382283036.db2.gz GMYUIZIXLQMUEZ-FQEVSTJZSA-N 2 0 349.563 3.255 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC001161046555 1382283213 /nfs/dbraw/zinc/28/32/13/1382283213.db2.gz MYWGIWQMHTXBQT-FQEVSTJZSA-N 2 0 343.515 3.047 20 0 EGADRP CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161387152 1382392893 /nfs/dbraw/zinc/39/28/93/1382392893.db2.gz ANKSWPHUVNBQME-OALUTQOASA-N 2 0 333.520 3.093 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390847 1382396300 /nfs/dbraw/zinc/39/63/00/1382396300.db2.gz LVXFJMKWWXQHQB-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP Cc1ccc(CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161401191 1382399759 /nfs/dbraw/zinc/39/97/59/1382399759.db2.gz QVNZGLWVYTZQHW-UAFMIMERSA-N 2 0 343.515 3.111 20 0 EGADRP [NH3+]CC1(CC(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)CCCCC1 ZINC001161424350 1382405415 /nfs/dbraw/zinc/40/54/15/1382405415.db2.gz HSAQHNPBSAKTEK-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001161523933 1382429209 /nfs/dbraw/zinc/42/92/09/1382429209.db2.gz CVDUMQXGYPCKEA-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCCCNc1ncc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC001161728573 1382490160 /nfs/dbraw/zinc/49/01/60/1382490160.db2.gz PEZGJPUJBRPGNX-UHFFFAOYSA-N 2 0 342.409 3.231 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001161733453 1382491825 /nfs/dbraw/zinc/49/18/25/1382491825.db2.gz CQGRDSYFHJFVRZ-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001162908507 1382912165 /nfs/dbraw/zinc/91/21/65/1382912165.db2.gz HIHNXZDGOVPNRE-MRXNPFEDSA-N 2 0 334.467 3.055 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)c1 ZINC001162910203 1382913007 /nfs/dbraw/zinc/91/30/07/1382913007.db2.gz QXGSUSHQATUKEV-DYVFJYSZSA-N 2 0 346.438 3.117 20 0 EGADRP CCCC(C[NH3+])(CCC)Nc1cccc(OCC[NH+]2CCCC2)n1 ZINC001163040330 1382953742 /nfs/dbraw/zinc/95/37/42/1382953742.db2.gz KWXHJLYVIUJMTP-UHFFFAOYSA-N 2 0 334.508 3.266 20 0 EGADRP CC(C)(C)Oc1cc[nH+]c(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163066903 1382959836 /nfs/dbraw/zinc/95/98/36/1382959836.db2.gz XZHSUEARKCPWRZ-HNNXBMFYSA-N 2 0 328.460 3.282 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncnc2ccc(C(C)C)cc21 ZINC001163128220 1382971357 /nfs/dbraw/zinc/97/13/57/1382971357.db2.gz FMFYHTJAMFMPER-UHFFFAOYSA-N 2 0 328.464 3.031 20 0 EGADRP CC(C)(Nc1cccc(N2CCC([NH3+])CC2)[nH+]1)c1cc(Cl)ccn1 ZINC001163144076 1382976806 /nfs/dbraw/zinc/97/68/06/1382976806.db2.gz BBGGMTUUJFEARP-UHFFFAOYSA-N 2 0 345.878 3.405 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC001163291128 1383013900 /nfs/dbraw/zinc/01/39/00/1383013900.db2.gz ZNVQZCCQJDXHCV-LJQANCHMSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001164449333 1383187965 /nfs/dbraw/zinc/18/79/65/1383187965.db2.gz IARKXUYAMMKWJA-MOPGFXCFSA-N 2 0 345.531 3.274 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001164449393 1383187990 /nfs/dbraw/zinc/18/79/90/1383187990.db2.gz KCUMOXODNHTABM-HXUWFJFHSA-N 2 0 345.531 3.021 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C)cc2C)C1 ZINC001164456659 1383188772 /nfs/dbraw/zinc/18/87/72/1383188772.db2.gz WNEHIYBHMDDYRQ-HXUWFJFHSA-N 2 0 345.531 3.021 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4[nH+]ccc5c4CCN5)[C@@H]3C2)cc1 ZINC001164487473 1383192369 /nfs/dbraw/zinc/19/23/69/1383192369.db2.gz VJZKLTFEGVNUJX-HQRMLTQVSA-N 2 0 334.467 3.372 20 0 EGADRP Cc1[nH+]ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1F ZINC001164499548 1383193775 /nfs/dbraw/zinc/19/37/75/1383193775.db2.gz RRXIBBZDNFNWGS-RCCFBDPRSA-N 2 0 325.431 3.274 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164515155 1383195352 /nfs/dbraw/zinc/19/53/52/1383195352.db2.gz WNXQRVMDCLDRPK-DUMMIQTOSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531221 1383196523 /nfs/dbraw/zinc/19/65/23/1383196523.db2.gz BOIWHYBZBQNSCH-MOPGFXCFSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577825 1383201527 /nfs/dbraw/zinc/20/15/27/1383201527.db2.gz UIBFDUTZNGAOGU-ROUUACIJSA-N 2 0 345.531 3.136 20 0 EGADRP c1ccc2c(c1)N(c1ncccc1C[NH+]1CCCC1)CC21CC[NH2+]CC1 ZINC001165145420 1383236698 /nfs/dbraw/zinc/23/66/98/1383236698.db2.gz PHUFAGFYRXBHRM-UHFFFAOYSA-N 2 0 348.494 3.450 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc1 ZINC001165152685 1383237706 /nfs/dbraw/zinc/23/77/06/1383237706.db2.gz VLPNCMCCJQHJMK-CEXWTWQISA-N 2 0 328.504 3.016 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(Nc2ccc(O[C@H]3CC[NH2+]C3)nc2)c1 ZINC001165213159 1383249484 /nfs/dbraw/zinc/24/94/84/1383249484.db2.gz QQMPFGAXTWKJQC-IBGZPJMESA-N 2 0 338.455 3.162 20 0 EGADRP [NH3+][C@H]1CCN(c2ccc(F)cc2NC2=CC[C@H]([NH+]3CCCC3)CC2)C1 ZINC001165213381 1383249668 /nfs/dbraw/zinc/24/96/68/1383249668.db2.gz AGTGILWSFANZQR-WMZOPIPTSA-N 2 0 344.478 3.307 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)c(F)c2)cc1 ZINC001165213735 1383250379 /nfs/dbraw/zinc/25/03/79/1383250379.db2.gz YYEYXNJHTNKVOJ-KRWDZBQOSA-N 2 0 329.419 3.372 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001165244626 1383256662 /nfs/dbraw/zinc/25/66/62/1383256662.db2.gz TZJPBUKNVSKUEP-UYAOXDASSA-N 2 0 328.504 3.208 20 0 EGADRP COc1cc2cc[nH+]c(N3CCC4(CCCC[NH2+]4)CC3)c2cc1OC ZINC001165247770 1383257821 /nfs/dbraw/zinc/25/78/21/1383257821.db2.gz YVUOFARRLZCEAC-UHFFFAOYSA-N 2 0 341.455 3.365 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001165294212 1383267782 /nfs/dbraw/zinc/26/77/82/1383267782.db2.gz XMAAUVLNNGDHQZ-UHFFFAOYSA-N 2 0 349.544 3.266 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165485514 1383301466 /nfs/dbraw/zinc/30/14/66/1383301466.db2.gz YDZIUUXCZJRRKE-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165718427 1383331507 /nfs/dbraw/zinc/33/15/07/1383331507.db2.gz KEOYIMCEHADGLJ-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001165728958 1383334246 /nfs/dbraw/zinc/33/42/46/1383334246.db2.gz WQLTWNITTDKZTL-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165736036 1383334862 /nfs/dbraw/zinc/33/48/62/1383334862.db2.gz GTJIHHFOIYNEMV-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165967923 1383372071 /nfs/dbraw/zinc/37/20/71/1383372071.db2.gz PEDREAOFKMHSEG-SNAWJCMRSA-N 2 0 347.547 3.237 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(C)sc1C)[NH+](CC)CC ZINC001166455054 1383424054 /nfs/dbraw/zinc/42/40/54/1383424054.db2.gz OUBURYSQJDCCOD-KRWDZBQOSA-N 2 0 339.549 3.081 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001166686694 1383460735 /nfs/dbraw/zinc/46/07/35/1383460735.db2.gz DITJKBBJCQNAJA-OXJNMPFZSA-N 2 0 349.494 3.056 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167096307 1383537862 /nfs/dbraw/zinc/53/78/62/1383537862.db2.gz YTNNJZUVFTXCOY-UXHICEINSA-N 2 0 345.531 3.008 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1)[NH+](C)C ZINC001167260859 1383577761 /nfs/dbraw/zinc/57/77/61/1383577761.db2.gz NKXRNNDSIVKWGA-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001167426747 1383630975 /nfs/dbraw/zinc/63/09/75/1383630975.db2.gz YEDUVAFGDZTPFB-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167480495 1383646569 /nfs/dbraw/zinc/64/65/69/1383646569.db2.gz HSQDETCFVBXBAQ-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599559 1383685347 /nfs/dbraw/zinc/68/53/47/1383685347.db2.gz LTNZLQHWRXFBQU-AATRIKPKSA-N 2 0 349.563 3.339 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)[NH+]1CCCCCC1 ZINC001167609666 1383688829 /nfs/dbraw/zinc/68/88/29/1383688829.db2.gz OKGSZNUGZISYEP-YLJYHZDGSA-N 2 0 343.515 3.034 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001167610558 1383689047 /nfs/dbraw/zinc/68/90/47/1383689047.db2.gz SZXVTEQCSBIBDJ-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001167634291 1383694398 /nfs/dbraw/zinc/69/43/98/1383694398.db2.gz HMBDCIFZZLKELW-PKOBYXMFSA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001167685222 1383710068 /nfs/dbraw/zinc/71/00/68/1383710068.db2.gz IWFMGEJECDTSGM-JQFCIGGWSA-N 2 0 344.421 3.401 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001167697233 1383714432 /nfs/dbraw/zinc/71/44/32/1383714432.db2.gz QHOBAOSFQIABSQ-OAHLLOKOSA-N 2 0 335.455 3.254 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784080 1383739876 /nfs/dbraw/zinc/73/98/76/1383739876.db2.gz LTAVETYYVKPMGG-SREVYHEPSA-N 2 0 337.552 3.341 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001167783885 1383739989 /nfs/dbraw/zinc/73/99/89/1383739989.db2.gz IJVUESXDESCESK-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784891 1383740893 /nfs/dbraw/zinc/74/08/93/1383740893.db2.gz ZXQFAHFDISBWGN-SFHVURJKSA-N 2 0 339.568 3.277 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001167814660 1383747202 /nfs/dbraw/zinc/74/72/02/1383747202.db2.gz AUVADTOARGIZDN-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001167826966 1383750117 /nfs/dbraw/zinc/75/01/17/1383750117.db2.gz SJWCRDWQHPEJAZ-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001167827064 1383751244 /nfs/dbraw/zinc/75/12/44/1383751244.db2.gz RZNHCTMTTPCBBZ-UYAOXDASSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001167838935 1383755561 /nfs/dbraw/zinc/75/55/61/1383755561.db2.gz XDPRBEWYFDROFY-LBPRGKRZSA-N 2 0 332.414 3.231 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C)(C(=O)N2CCCC2)CC1 ZINC001167838469 1383756171 /nfs/dbraw/zinc/75/61/71/1383756171.db2.gz UZBNLPYIVIZMGQ-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001328811794 1388878216 /nfs/dbraw/zinc/87/82/16/1388878216.db2.gz FXGSAJUFGDVOTD-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C(OC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935727 1383772163 /nfs/dbraw/zinc/77/21/63/1383772163.db2.gz LJQBSRGSPQRUOU-OQEHDIDLSA-N 2 0 344.543 3.245 20 0 EGADRP CCOC(=O)[C@]1(C)CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985777 1383787819 /nfs/dbraw/zinc/78/78/19/1383787819.db2.gz ZMTGVADIYMMVEH-KXZRCVDZSA-N 2 0 348.531 3.447 20 0 EGADRP [NH3+]CCc1cn(-c2cc[nH+]c(N3CCCCC3)c2)c2ccc(O)cc12 ZINC001167985962 1383787840 /nfs/dbraw/zinc/78/78/40/1383787840.db2.gz OBYCPXAIJIGJKJ-UHFFFAOYSA-N 2 0 336.439 3.223 20 0 EGADRP c1cncc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167995409 1383792034 /nfs/dbraw/zinc/79/20/34/1383792034.db2.gz FDVDDICRCDRQHA-KXZRCVDZSA-N 2 0 341.499 3.330 20 0 EGADRP C[C@@H]1CC([NH2+]CCC(=O)N(C)C2CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009236 1383796182 /nfs/dbraw/zinc/79/61/82/1383796182.db2.gz ZLUMKDUCZSDWSU-IAGOWNOFSA-N 2 0 343.515 3.029 20 0 EGADRP CCC(=O)N1CC[C@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168031830 1383800146 /nfs/dbraw/zinc/80/01/46/1383800146.db2.gz FFQIRLVYOPRASY-LMMKCTJWSA-N 2 0 343.515 3.029 20 0 EGADRP COCC1([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC001168033300 1383801102 /nfs/dbraw/zinc/80/11/02/1383801102.db2.gz KKGSNLFLPPQHOE-QZTJIDSGSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@@H]1CC([NH2+]C[C@H](O)c2ccncc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168035049 1383801398 /nfs/dbraw/zinc/80/13/98/1383801398.db2.gz SIRIOWDSXZRLDZ-LZJOCLMNSA-N 2 0 339.483 3.146 20 0 EGADRP C[C@@H]1CC(n2ccnc2CCC[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039469 1383802812 /nfs/dbraw/zinc/80/28/12/1383802812.db2.gz FHGOSJITSSTMMF-IAGOWNOFSA-N 2 0 326.488 3.389 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2(c3ccc(C(F)(F)F)cc3)COC2)CC1 ZINC001168298524 1383866436 /nfs/dbraw/zinc/86/64/36/1383866436.db2.gz ZCVNTGRVBMTASL-UHFFFAOYSA-N 2 0 342.405 3.393 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)CC1 ZINC001168322721 1383872096 /nfs/dbraw/zinc/87/20/96/1383872096.db2.gz FXOUHNBYCOGFFF-UHFFFAOYSA-N 2 0 340.471 3.010 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)CC1 ZINC001168324657 1383873287 /nfs/dbraw/zinc/87/32/87/1383873287.db2.gz SXBSBMHMJRTKCI-UHFFFAOYSA-N 2 0 342.483 3.359 20 0 EGADRP c1cnc2c(c1)cccc2OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168359662 1383882397 /nfs/dbraw/zinc/88/23/97/1383882397.db2.gz DUQQPYZIYPMBOP-UHFFFAOYSA-N 2 0 325.456 3.078 20 0 EGADRP [NH3+]C1(Cc2cccc(F)c2)CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168364526 1383884629 /nfs/dbraw/zinc/88/46/29/1383884629.db2.gz FJXZJGGWKRHMKD-UHFFFAOYSA-N 2 0 345.506 3.036 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168391796 1383893540 /nfs/dbraw/zinc/89/35/40/1383893540.db2.gz OJHLDZJUVMFOKU-SFHVURJKSA-N 2 0 327.516 3.240 20 0 EGADRP Cc1nc2c(c(NCC3([NH+]4CCOCC4)CCCCC3)n1)CCCC2 ZINC001306911626 1383919031 /nfs/dbraw/zinc/91/90/31/1383919031.db2.gz WESOCGXSTCEUKB-UHFFFAOYSA-N 2 0 344.503 3.111 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC001168653435 1383959117 /nfs/dbraw/zinc/95/91/17/1383959117.db2.gz QYSJNFBWMRFWNN-FQEVSTJZSA-N 2 0 347.547 3.266 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]Cc1csc(C)c1)C(C)C ZINC001168666723 1383964791 /nfs/dbraw/zinc/96/47/91/1383964791.db2.gz JRKPPEADIAJJBL-QGZVFWFLSA-N 2 0 339.549 3.019 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168666907 1383964799 /nfs/dbraw/zinc/96/47/99/1383964799.db2.gz MJUVPIVIIVYNAL-ZGKFYVQTSA-N 2 0 325.541 3.195 20 0 EGADRP CC[N@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)CCC(=O)OC ZINC001307442420 1383991114 /nfs/dbraw/zinc/99/11/14/1383991114.db2.gz JRKRENHGLFFRTL-UHFFFAOYSA-N 2 0 346.515 3.216 20 0 EGADRP CC(C)[N@H+]([C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168832173 1384024313 /nfs/dbraw/zinc/02/43/13/1384024313.db2.gz CWJMHKMLRJPCQB-QAETUUGQSA-N 2 0 339.524 3.365 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001168837653 1384027710 /nfs/dbraw/zinc/02/77/10/1384027710.db2.gz CIZDLEJQUBCJFD-ZGRYLRDCSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CN1C(=O)OC(C)(C)C ZINC001168840316 1384028913 /nfs/dbraw/zinc/02/89/13/1384028913.db2.gz ULWVGCSHDIIKHV-IXDOHACOSA-N 2 0 339.524 3.225 20 0 EGADRP COc1cc2[nH+]ccc(-n3cnc4ccc(C[NH3+])cc43)c2cc1OC ZINC001168844808 1384031910 /nfs/dbraw/zinc/03/19/10/1384031910.db2.gz SJVVBYDQFJGLSN-UHFFFAOYSA-N 2 0 334.379 3.050 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]13)C2 ZINC001169090270 1384104922 /nfs/dbraw/zinc/10/49/22/1384104922.db2.gz JFMDVECBTJYIQY-OVQJPPBNSA-N 2 0 339.527 3.112 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)C2 ZINC001169101488 1384107303 /nfs/dbraw/zinc/10/73/03/1384107303.db2.gz SRTOVECVAGANJL-REPLKXPHSA-N 2 0 330.472 3.115 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169108157 1384108341 /nfs/dbraw/zinc/10/83/41/1384108341.db2.gz OYLUSCZRMVHEFR-JBFZATNMSA-N 2 0 349.519 3.132 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001169120186 1384109531 /nfs/dbraw/zinc/10/95/31/1384109531.db2.gz ZFFBJHLGZGWBHP-REPLKXPHSA-N 2 0 332.463 3.132 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccsc1Br)C2 ZINC001169123855 1384110249 /nfs/dbraw/zinc/11/02/49/1384110249.db2.gz NGBUMVVPLXLTPY-CLLJXQQHSA-N 2 0 329.307 3.268 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001169133368 1384111986 /nfs/dbraw/zinc/11/19/86/1384111986.db2.gz FAQFGNJOXIZVDI-AGRFSFNASA-N 2 0 341.499 3.188 20 0 EGADRP COc1ccccc1O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141268 1384112783 /nfs/dbraw/zinc/11/27/83/1384112783.db2.gz PHGFWMXEQPTZBO-MLHJIOFPSA-N 2 0 330.472 3.164 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]([C@H]3CCCc4ccccc43)CC1)C2 ZINC001169156424 1384116793 /nfs/dbraw/zinc/11/67/93/1384116793.db2.gz YDQFOQPZHHOARA-HIUFNZKISA-N 2 0 339.527 3.307 20 0 EGADRP Cc1ccccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001308758716 1384148324 /nfs/dbraw/zinc/14/83/24/1384148324.db2.gz USQROLVXFUHQFE-QHCPKHFHSA-N 2 0 349.522 3.387 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169460794 1384150507 /nfs/dbraw/zinc/15/05/07/1384150507.db2.gz ZPEDYYCVUPQVNA-WDSOQIARSA-N 2 0 337.552 3.396 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001169647274 1384168398 /nfs/dbraw/zinc/16/83/98/1384168398.db2.gz ZJGSMNAEBUPZAB-OALUTQOASA-N 2 0 347.503 3.280 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169720550 1384177909 /nfs/dbraw/zinc/17/79/09/1384177909.db2.gz JCKVKHCDOODFQD-IBGZPJMESA-N 2 0 331.504 3.003 20 0 EGADRP C[NH+](C)CC[C@@H](c1ccc(-n2ccc(C[NH3+])c2)cc1)c1ccccn1 ZINC001169725943 1384178608 /nfs/dbraw/zinc/17/86/08/1384178608.db2.gz OGEXUAGDVJOFJO-FQEVSTJZSA-N 2 0 334.467 3.415 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001169811832 1384188167 /nfs/dbraw/zinc/18/81/67/1384188167.db2.gz YDTMMYRBYAQFNH-ICSRJNTNSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001170418484 1384313202 /nfs/dbraw/zinc/31/32/02/1384313202.db2.gz UHOOHWKZZZJQKD-INIZCTEOSA-N 2 0 330.472 3.343 20 0 EGADRP [NH3+]CCN(c1cccc2c1C[NH2+]CC2)C12CC3CC(CC(C3)C1)C2 ZINC001170627309 1384353257 /nfs/dbraw/zinc/35/32/57/1384353257.db2.gz OUULJKCBTPTFAF-UHFFFAOYSA-N 2 0 325.500 3.066 20 0 EGADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cnccc1/C=C/[NH+](C)C ZINC001170688278 1384365937 /nfs/dbraw/zinc/36/59/37/1384365937.db2.gz XJNSYWLOGUBUER-PABFRNLHSA-N 2 0 333.439 3.486 20 0 EGADRP CC1(C)[C@@H]2C[C@H]([N@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)C[C@@H]21 ZINC001170748878 1384377584 /nfs/dbraw/zinc/37/75/84/1384377584.db2.gz AWOOCTRUSXTQFX-GGPHIMKMSA-N 2 0 342.531 3.162 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001170756876 1384380585 /nfs/dbraw/zinc/38/05/85/1384380585.db2.gz SVGYVTUAINSQOG-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@H]1CCCOCC1)CC2 ZINC001170811133 1384389899 /nfs/dbraw/zinc/38/98/99/1384389899.db2.gz JBQCIUUVQPAWNL-SFHVURJKSA-N 2 0 347.503 3.291 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170816977 1384390620 /nfs/dbraw/zinc/39/06/20/1384390620.db2.gz JFPXUZPZKMDNIB-FUHWJXTLSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170819714 1384391616 /nfs/dbraw/zinc/39/16/16/1384391616.db2.gz OGTZDLXWNNLJHG-NJRZHNRPSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C)CC[N@@H+]1C ZINC001170871369 1384402592 /nfs/dbraw/zinc/40/25/92/1384402592.db2.gz OXOMKWTUCLVMEY-CEXWTWQISA-N 2 0 339.568 3.418 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc(C(F)(F)F)cc1-c1ccccc1F ZINC001170896998 1384407594 /nfs/dbraw/zinc/40/75/94/1384407594.db2.gz JIRKGKFQVUGYET-AWEZNQCLSA-N 2 0 342.340 3.342 20 0 EGADRP NC(=[NH2+])SCCSC(=[NH2+])N[C@H]1CCc2c(Cl)cccc2C1 ZINC001171025663 1384432020 /nfs/dbraw/zinc/43/20/20/1384432020.db2.gz OIMQCDHOIBIWRH-JTQLQIEISA-N 2 0 342.921 3.082 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001171069753 1384441171 /nfs/dbraw/zinc/44/11/71/1384441171.db2.gz USHAGJBQNOESEO-MSOLQXFVSA-N 2 0 345.547 3.367 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171118065 1384449168 /nfs/dbraw/zinc/44/91/68/1384449168.db2.gz CFOCQEHSKCVMNO-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001171175731 1384460930 /nfs/dbraw/zinc/46/09/30/1384460930.db2.gz UOOMVHXJJDGLTB-RBUKOAKNSA-N 2 0 335.536 3.093 20 0 EGADRP CCCCN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171236058 1384476546 /nfs/dbraw/zinc/47/65/46/1384476546.db2.gz HVJAGJDKDVVYET-IHWFROFDSA-N 2 0 343.515 3.144 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246610 1384477559 /nfs/dbraw/zinc/47/75/59/1384477559.db2.gz GHWBALMWGNSKQP-PXNSSMCTSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171247741 1384477699 /nfs/dbraw/zinc/47/76/99/1384477699.db2.gz NUYAEOJERRGCII-PXNSSMCTSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248658 1384478181 /nfs/dbraw/zinc/47/81/81/1384478181.db2.gz WZHHHHCKGDXSPR-VQIMIIECSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171248314 1384478207 /nfs/dbraw/zinc/47/82/07/1384478207.db2.gz SERGLIOLNYEUQC-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171248490 1384478326 /nfs/dbraw/zinc/47/83/26/1384478326.db2.gz VWHBEAARXRDBCJ-MOPGFXCFSA-N 2 0 337.552 3.480 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248704 1384478492 /nfs/dbraw/zinc/47/84/92/1384478492.db2.gz YEXGKRBXTCUOND-ZYLKZGKVSA-N 2 0 337.552 3.338 20 0 EGADRP COc1cccc2nc(NCc3ccccc3N3CC[NH2+]CC3)ccc21 ZINC001171282762 1384485316 /nfs/dbraw/zinc/48/53/16/1384485316.db2.gz BHHIGCSEBBQQMW-UHFFFAOYSA-N 2 0 348.450 3.265 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001171341345 1384497616 /nfs/dbraw/zinc/49/76/16/1384497616.db2.gz WMFVRYCBXAAVJQ-ZDUSSCGKSA-N 2 0 326.282 3.065 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001316640777 1384500221 /nfs/dbraw/zinc/50/02/21/1384500221.db2.gz BKPJAPPPGCRBKM-BJLQDIEVSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171539141 1384556536 /nfs/dbraw/zinc/55/65/36/1384556536.db2.gz QWKBMLLKRJLXNV-HKUYNNGSSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1cccc(Cl)c1 ZINC001171578976 1384570613 /nfs/dbraw/zinc/57/06/13/1384570613.db2.gz NZTKCBAAOKCPQT-HNNXBMFYSA-N 2 0 339.911 3.229 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)CCCC[NH+](C)C)C1 ZINC001171578763 1384570657 /nfs/dbraw/zinc/57/06/57/1384570657.db2.gz IANGCNNLLGBEPG-QZTJIDSGSA-N 2 0 325.541 3.031 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001171608245 1384578345 /nfs/dbraw/zinc/57/83/45/1384578345.db2.gz GECADRAQMBGUCV-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618895 1384581438 /nfs/dbraw/zinc/58/14/38/1384581438.db2.gz NNAUPUVQMIXDPC-ROUUACIJSA-N 2 0 348.535 3.219 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC1(C)C ZINC001171625360 1384584006 /nfs/dbraw/zinc/58/40/06/1384584006.db2.gz IQHBRYFPVKXOAI-LJQANCHMSA-N 2 0 345.531 3.133 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCCN(c3ccccn3)C2)CC1(C)C ZINC001171626756 1384584232 /nfs/dbraw/zinc/58/42/32/1384584232.db2.gz AIVJOKBSZUAKMY-MRXNPFEDSA-N 2 0 330.520 3.291 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CCOc2cc(Cl)ccn2)CC1(C)C ZINC001171630308 1384586130 /nfs/dbraw/zinc/58/61/30/1384586130.db2.gz MBAVRWACHFSDHV-UHFFFAOYSA-N 2 0 325.884 3.355 20 0 EGADRP CCN1C(=O)CCC12CC[NH+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171634526 1384587046 /nfs/dbraw/zinc/58/70/46/1384587046.db2.gz DHIJKNYTNCSMAL-UHFFFAOYSA-N 2 0 335.536 3.115 20 0 EGADRP Cc1c[nH+]ccc1N1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641004 1384589888 /nfs/dbraw/zinc/58/98/88/1384589888.db2.gz LUSSVHNVIVCSCE-UHFFFAOYSA-N 2 0 330.520 3.163 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683219 1384601652 /nfs/dbraw/zinc/60/16/52/1384601652.db2.gz CBSQOMAQENRPTH-MRXNPFEDSA-N 2 0 348.466 3.352 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001171725173 1384614805 /nfs/dbraw/zinc/61/48/05/1384614805.db2.gz GYQCIQIRTZIOAQ-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171727469 1384615106 /nfs/dbraw/zinc/61/51/06/1384615106.db2.gz CTPRQFRSNYLLMI-RDTXWAMCSA-N 2 0 326.419 3.189 20 0 EGADRP C[C@@H]1C[C@@H](n2nc(-c3ccncc3)cc2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171733982 1384619532 /nfs/dbraw/zinc/61/95/32/1384619532.db2.gz KVMKHJFKESZHGB-OXQOHEQNSA-N 2 0 347.466 3.239 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001329024517 1388934254 /nfs/dbraw/zinc/93/42/54/1388934254.db2.gz PHKGDCJJONCMAR-KKSFZXQISA-N 2 0 341.474 3.343 20 0 EGADRP Fc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](Cc3ccccn3)CC1)C2 ZINC001171784837 1384635519 /nfs/dbraw/zinc/63/55/19/1384635519.db2.gz IIPXDRFGOQEBGE-LJQANCHMSA-N 2 0 339.458 3.190 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001316883206 1384666912 /nfs/dbraw/zinc/66/69/12/1384666912.db2.gz WZOLHEYVHHFPIP-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171924242 1384683925 /nfs/dbraw/zinc/68/39/25/1384683925.db2.gz MQMMDQDCOJNZBV-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171925007 1384684595 /nfs/dbraw/zinc/68/45/95/1384684595.db2.gz YMCSFEVALGXESZ-SFHVURJKSA-N 2 0 347.547 3.469 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001171944171 1384691515 /nfs/dbraw/zinc/69/15/15/1384691515.db2.gz KWBJMKOECDMSBG-UHFFFAOYSA-N 2 0 336.520 3.353 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984689 1384704602 /nfs/dbraw/zinc/70/46/02/1384704602.db2.gz XOVSQJFKXYHPAP-MJGOQNOKSA-N 2 0 338.499 3.440 20 0 EGADRP C[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062760 1384714294 /nfs/dbraw/zinc/71/42/94/1384714294.db2.gz RXCWPCMPFTVOFC-WOZUAGRISA-N 2 0 327.516 3.256 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001316943689 1384715227 /nfs/dbraw/zinc/71/52/27/1384715227.db2.gz JXKPVSFQLNFPRD-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP COC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062897 1384715646 /nfs/dbraw/zinc/71/56/46/1384715646.db2.gz SAQGJMDKQYFRBR-REPLKXPHSA-N 2 0 344.499 3.361 20 0 EGADRP C[N@H+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076290 1384719531 /nfs/dbraw/zinc/71/95/31/1384719531.db2.gz XPDJJJFGUDRMAL-YUBLJMCLSA-N 2 0 339.527 3.351 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC([NH+]4CCCC4)C2)C3)cc1 ZINC001172074832 1384720396 /nfs/dbraw/zinc/72/03/96/1384720396.db2.gz MEBGFVIHFYPMOL-WKCHPHFGSA-N 2 0 339.527 3.352 20 0 EGADRP C[N@@H+]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172079756 1384721167 /nfs/dbraw/zinc/72/11/67/1384721167.db2.gz QVRLSWWWUABVAA-AERCQKQUSA-N 2 0 327.516 3.210 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)C2 ZINC001172110728 1384730290 /nfs/dbraw/zinc/73/02/90/1384730290.db2.gz NVWIDMWEEBTCJU-MUJYYYPQSA-N 2 0 339.524 3.285 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccccc1F)C2 ZINC001172113920 1384731434 /nfs/dbraw/zinc/73/14/34/1384731434.db2.gz KWMHQNKLJSXBKE-NNZMDNLPSA-N 2 0 342.462 3.175 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117527 1384733113 /nfs/dbraw/zinc/73/31/13/1384733113.db2.gz HLIIAQNITWTFNV-PNKHAZJDSA-N 2 0 349.519 3.085 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172121287 1384734810 /nfs/dbraw/zinc/73/48/10/1384734810.db2.gz DGUOBMKSXSMFFM-PBASOCQRSA-N 2 0 327.516 3.381 20 0 EGADRP CC(C)c1noc([C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)n1 ZINC001172129320 1384737141 /nfs/dbraw/zinc/73/71/41/1384737141.db2.gz YGTRIHZCAQKTDB-MWDXBVQZSA-N 2 0 332.492 3.388 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133255 1384737212 /nfs/dbraw/zinc/73/72/12/1384737212.db2.gz QLJJZUJGSPXOTQ-UJZAFDIWSA-N 2 0 325.500 3.070 20 0 EGADRP [NH3+]C1(Cc2cccc(Cl)c2)CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172220418 1384750618 /nfs/dbraw/zinc/75/06/18/1384750618.db2.gz FMPPGXAMVWSHND-AYHJJNSGSA-N 2 0 334.891 3.386 20 0 EGADRP COCCC[NH+]1CCC(N(CC[NH3+])c2cccc3ccccc32)CC1 ZINC001172244055 1384754827 /nfs/dbraw/zinc/75/48/27/1384754827.db2.gz XLOZWQZHMGNOHF-UHFFFAOYSA-N 2 0 341.499 3.106 20 0 EGADRP COCCC[NH+]1CCC(n2cc(CC[NH3+])c3cc(Cl)ccc32)CC1 ZINC001172244150 1384755158 /nfs/dbraw/zinc/75/51/58/1384755158.db2.gz LPPNISQUJNNEAN-UHFFFAOYSA-N 2 0 349.906 3.469 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001172248709 1384755493 /nfs/dbraw/zinc/75/54/93/1384755493.db2.gz NBCPZNNZQACPCT-UHFFFAOYSA-N 2 0 334.479 3.239 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC(C)(C)Cc2ccc(OC)cc2)CC1 ZINC001172248823 1384755656 /nfs/dbraw/zinc/75/56/56/1384755656.db2.gz PGVRLKJZXSTKHK-UHFFFAOYSA-N 2 0 348.531 3.354 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001172247557 1384756078 /nfs/dbraw/zinc/75/60/78/1384756078.db2.gz MIHLUOJHNXFCIK-IBGZPJMESA-N 2 0 336.907 3.288 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172626338 1384822607 /nfs/dbraw/zinc/82/26/07/1384822607.db2.gz DLTPZAVORCWREJ-VAMGGRTRSA-N 2 0 344.499 3.172 20 0 EGADRP c1ccc(CC2CCC([NH2+]CC3CC[NH+](C4COC4)CC3)CC2)cc1 ZINC001172820789 1384858903 /nfs/dbraw/zinc/85/89/03/1384858903.db2.gz JTPPOTBKNLEANW-UHFFFAOYSA-N 2 0 342.527 3.488 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001172956569 1384889392 /nfs/dbraw/zinc/88/93/92/1384889392.db2.gz CQFAXQMLVKJHNM-QQFBHYJXSA-N 2 0 327.513 3.129 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173055703 1384902762 /nfs/dbraw/zinc/90/27/62/1384902762.db2.gz UMKVZAQEEMWZPK-CVEARBPZSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173079063 1384909378 /nfs/dbraw/zinc/90/93/78/1384909378.db2.gz INHZFRJSHVNNTO-IMJJTQAJSA-N 2 0 342.405 3.400 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC001173103314 1384915429 /nfs/dbraw/zinc/91/54/29/1384915429.db2.gz HXUHNIATVDTIKW-UHFFFAOYSA-N 2 0 330.520 3.293 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001173107271 1384916011 /nfs/dbraw/zinc/91/60/11/1384916011.db2.gz MPOWDUZDYPPURL-UHFFFAOYSA-N 3 0 330.520 3.293 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC001173109382 1384916371 /nfs/dbraw/zinc/91/63/71/1384916371.db2.gz HWJMGECWJBVAJM-UHFFFAOYSA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCO[C@H](COc3ccccc3)C2)CC1 ZINC001173113281 1384917619 /nfs/dbraw/zinc/91/76/19/1384917619.db2.gz MJNBICVHEFIKAF-GRERDSQWSA-N 2 0 346.515 3.419 20 0 EGADRP CC[NH+](CC)C1CCC(N2Cc3ccccc3C[C@H]2C(=O)OC)CC1 ZINC001173115166 1384917937 /nfs/dbraw/zinc/91/79/37/1384917937.db2.gz XKXKGYRIJKHZQV-MHJFOBGBSA-N 2 0 344.499 3.239 20 0 EGADRP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC001173150540 1384925166 /nfs/dbraw/zinc/92/51/66/1384925166.db2.gz MONXLIDZEMELTD-QGZVFWFLSA-N 2 0 344.499 3.385 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317167425 1384931583 /nfs/dbraw/zinc/93/15/83/1384931583.db2.gz QHWMRZAUOYCCSL-MJGOQNOKSA-N 2 0 345.531 3.236 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173198790 1384934789 /nfs/dbraw/zinc/93/47/89/1384934789.db2.gz HDZNFHBKVJYYSL-KQUKSJNGSA-N 2 0 344.499 3.347 20 0 EGADRP CC[N@@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cc(OC)ccc32)C1 ZINC001173368712 1384965804 /nfs/dbraw/zinc/96/58/04/1384965804.db2.gz QSMCQBYVUCSTNA-MRXNPFEDSA-N 2 0 327.472 3.384 20 0 EGADRP CCN1CC[C@H]([N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001173369151 1384965879 /nfs/dbraw/zinc/96/58/79/1384965879.db2.gz UDEKHULKEFQKNS-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173412612 1384967770 /nfs/dbraw/zinc/96/77/70/1384967770.db2.gz SVDLXABSPDCLOA-SFHVURJKSA-N 2 0 349.906 3.019 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001173443959 1384971710 /nfs/dbraw/zinc/97/17/10/1384971710.db2.gz FKSQMYCYOFTEOG-HNNXBMFYSA-N 2 0 336.451 3.197 20 0 EGADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001173539222 1384980562 /nfs/dbraw/zinc/98/05/62/1384980562.db2.gz MOJAWZHPOATLIG-CQSZACIVSA-N 2 0 344.330 3.281 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H]1CCN(C3CCCCC3)C1)CC2 ZINC001173605776 1384986530 /nfs/dbraw/zinc/98/65/30/1384986530.db2.gz GRKSZYBYFDWVGR-XBPCWFMRSA-N 2 0 348.531 3.495 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CCN(C3CCCCC3)C1)CC2 ZINC001173605773 1384986644 /nfs/dbraw/zinc/98/66/44/1384986644.db2.gz GRKSZYBYFDWVGR-DDUYZKFLSA-N 2 0 348.531 3.495 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC([N@H+](C)C3CC3)CC1)CC2 ZINC001173618350 1384989287 /nfs/dbraw/zinc/98/92/87/1384989287.db2.gz FZHUQHDQSVSGSP-FDYSRKEFSA-N 2 0 334.504 3.057 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001173621610 1384990308 /nfs/dbraw/zinc/99/03/08/1384990308.db2.gz YUBBFGWXUQKZCP-WOJBJXKFSA-N 2 0 344.499 3.494 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(C[NH+](C)C)cc2)C1 ZINC001173629671 1384992343 /nfs/dbraw/zinc/99/23/43/1384992343.db2.gz CGZKIXFTKJXTPT-RTBURBONSA-N 2 0 332.488 3.002 20 0 EGADRP FC(F)(F)CN1CCC([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001173669143 1385000317 /nfs/dbraw/zinc/00/03/17/1385000317.db2.gz KTJYVYWOKIIYIZ-INIZCTEOSA-N 2 0 347.469 3.354 20 0 EGADRP C[C@@H]1CC([NH+]2CCC([NH+](C)C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173679287 1385002268 /nfs/dbraw/zinc/00/22/68/1385002268.db2.gz FQDORMCNNQGOLB-HUUCEWRRSA-N 2 0 339.524 3.189 20 0 EGADRP CCc1ccccc1C[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001317224386 1385004227 /nfs/dbraw/zinc/00/42/27/1385004227.db2.gz ZRRZQYGSGDGZKN-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]CCCC2CC[NH+](C)CC2)cc1 ZINC001173719449 1385008586 /nfs/dbraw/zinc/00/85/86/1385008586.db2.gz IFROPLVIYGRMSP-MRXNPFEDSA-N 2 0 332.488 3.116 20 0 EGADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1ccccc1Cl ZINC001317258342 1385028466 /nfs/dbraw/zinc/02/84/66/1385028466.db2.gz JBKQYVGSILUATP-CABCVRRESA-N 2 0 349.906 3.124 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001317275069 1385044261 /nfs/dbraw/zinc/04/42/61/1385044261.db2.gz ITRKHQANHWTAOK-GOSISDBHSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001317279520 1385049243 /nfs/dbraw/zinc/04/92/43/1385049243.db2.gz IRHAYGIPXGNMNH-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001317280603 1385051401 /nfs/dbraw/zinc/05/14/01/1385051401.db2.gz SVVDXDDLWXGDFT-IRXDYDNUSA-N 2 0 341.499 3.337 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001317361567 1385104522 /nfs/dbraw/zinc/10/45/22/1385104522.db2.gz VJQWTQJOFPNTAQ-WOJBJXKFSA-N 2 0 345.531 3.244 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)c1cccc2ccccc21 ZINC001317467423 1385161032 /nfs/dbraw/zinc/16/10/32/1385161032.db2.gz DQNGZJMTDAIGDS-QGZVFWFLSA-N 2 0 341.499 3.291 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880777 1385164301 /nfs/dbraw/zinc/16/43/01/1385164301.db2.gz HJPRHYCAKZGETF-IEBWSBKVSA-N 2 0 337.552 3.458 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174927325 1385170865 /nfs/dbraw/zinc/17/08/65/1385170865.db2.gz CGAJQKBZIPTERP-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928559 1385171036 /nfs/dbraw/zinc/17/10/36/1385171036.db2.gz KETOIWVPANZXSX-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCC[NH+](C)C ZINC001174950206 1385173621 /nfs/dbraw/zinc/17/36/21/1385173621.db2.gz WQYSJSHCCZMPBQ-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174961093 1385174872 /nfs/dbraw/zinc/17/48/72/1385174872.db2.gz JVGGFFJBHUYVIW-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)CC[NH+](C)C ZINC001175049747 1385186431 /nfs/dbraw/zinc/18/64/31/1385186431.db2.gz XTSWDQLTEYUSIT-HNAYVOBHSA-N 2 0 349.494 3.029 20 0 EGADRP CCc1ccc(CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001175049092 1385186437 /nfs/dbraw/zinc/18/64/37/1385186437.db2.gz OCGWEOXARJKYGT-GOSISDBHSA-N 2 0 347.547 3.008 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)CC[NH+](C)C ZINC001175049309 1385186502 /nfs/dbraw/zinc/18/65/02/1385186502.db2.gz SQVXJIKDHVGSLR-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)CC[NH+](C)C ZINC001175049749 1385186564 /nfs/dbraw/zinc/18/65/64/1385186564.db2.gz XTSWDQLTEYUSIT-KXBFYZLASA-N 2 0 349.494 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H](CC)c1ccccc1 ZINC001317511967 1385223076 /nfs/dbraw/zinc/22/30/76/1385223076.db2.gz GHALTFFXTVPPTH-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256914 1385230526 /nfs/dbraw/zinc/23/05/26/1385230526.db2.gz QLKOOQUYCBAJEM-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256889 1385230964 /nfs/dbraw/zinc/23/09/64/1385230964.db2.gz PVZJCEMHQJPUIP-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256573 1385231090 /nfs/dbraw/zinc/23/10/90/1385231090.db2.gz MGXJADATCQFVPU-RJCMGOLDSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256259 1385231145 /nfs/dbraw/zinc/23/11/45/1385231145.db2.gz JZYHTSMEPPDEFZ-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257335 1385231688 /nfs/dbraw/zinc/23/16/88/1385231688.db2.gz ZOKCEKJHQQRSJE-DLBZAZTESA-N 2 0 349.494 3.075 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001175317577 1385250853 /nfs/dbraw/zinc/25/08/53/1385250853.db2.gz PZEOUFJMUWYAJC-IRXDYDNUSA-N 2 0 327.557 3.418 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001317635478 1385367027 /nfs/dbraw/zinc/36/70/27/1385367027.db2.gz CHYUQDSTPBFBDG-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001317636400 1385367542 /nfs/dbraw/zinc/36/75/42/1385367542.db2.gz NQXZGCZJHALAJC-VQIMIIECSA-N 2 0 349.494 3.198 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)C(C)C ZINC001175747455 1385394816 /nfs/dbraw/zinc/39/48/16/1385394816.db2.gz PHVJBCBGGBLNEG-AEFFLSMTSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001175768707 1385399965 /nfs/dbraw/zinc/39/99/65/1385399965.db2.gz MQSQFEGPPVBNIA-XBMUEBEBSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001175786363 1385405824 /nfs/dbraw/zinc/40/58/24/1385405824.db2.gz JVFTZRAZVKTBGG-ZWKOTPCHSA-N 2 0 333.520 3.354 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3cc(C)[nH+]c(C)c3)cc2F)CC1 ZINC001176056518 1385473704 /nfs/dbraw/zinc/47/37/04/1385473704.db2.gz YGOZHVGIVXIHQB-UHFFFAOYSA-N 2 0 328.435 3.145 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)CCCC[NH2+]CCF ZINC001176120350 1385489435 /nfs/dbraw/zinc/48/94/35/1385489435.db2.gz OCZFHRMJKZVARF-QGZVFWFLSA-N 2 0 331.520 3.123 20 0 EGADRP CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001317808117 1385504768 /nfs/dbraw/zinc/50/47/68/1385504768.db2.gz CJWYHLHTZXTCPQ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192218 1385507553 /nfs/dbraw/zinc/50/75/53/1385507553.db2.gz GAUIBYNHEKYCFG-INIZCTEOSA-N 2 0 348.535 3.462 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC001176291385 1385540909 /nfs/dbraw/zinc/54/09/09/1385540909.db2.gz DCPLHTGZODYGRJ-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC001176328302 1385553658 /nfs/dbraw/zinc/55/36/58/1385553658.db2.gz RKBAKZIBHPDITE-KRWDZBQOSA-N 2 0 349.494 3.249 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176573950 1385629051 /nfs/dbraw/zinc/62/90/51/1385629051.db2.gz PKUPFQGIQXZFFM-GOSISDBHSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001176590624 1385634607 /nfs/dbraw/zinc/63/46/07/1385634607.db2.gz CPMZMINQRQHMFJ-ROUUACIJSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001176627095 1385643436 /nfs/dbraw/zinc/64/34/36/1385643436.db2.gz FBRYKZXIKLDMEM-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)CCC[NH+]1CCCC1 ZINC001176728068 1385674131 /nfs/dbraw/zinc/67/41/31/1385674131.db2.gz FCKHIWYZZISEGN-XBMUEBEBSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728620 1385674211 /nfs/dbraw/zinc/67/42/11/1385674211.db2.gz MRHXLGSXUJJOJW-VZSQWMKGSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001176737115 1385676819 /nfs/dbraw/zinc/67/68/19/1385676819.db2.gz IDCRKGMNSXJPCM-IBGZPJMESA-N 2 0 345.531 3.327 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753347 1385684389 /nfs/dbraw/zinc/68/43/89/1385684389.db2.gz GNEQEKSOIGBYPE-QZTJIDSGSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001176855861 1385725575 /nfs/dbraw/zinc/72/55/75/1385725575.db2.gz DZPGVWNSOKGNFT-HDICACEKSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001176884419 1385731190 /nfs/dbraw/zinc/73/11/90/1385731190.db2.gz GYDNHDQGGAHIFE-SFHVURJKSA-N 2 0 331.504 3.028 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001176884740 1385731793 /nfs/dbraw/zinc/73/17/93/1385731793.db2.gz RBOFLJSQRUHTPF-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176890607 1385735220 /nfs/dbraw/zinc/73/52/20/1385735220.db2.gz YFEIDMYFBFMJBW-VOTSOKGWSA-N 2 0 331.504 3.204 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001176991412 1385765748 /nfs/dbraw/zinc/76/57/48/1385765748.db2.gz ATKISXPVWLHHDL-VQTJNVASSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCC1CCCCC1)[NH+]1CCCC1 ZINC001176999269 1385769338 /nfs/dbraw/zinc/76/93/38/1385769338.db2.gz SHMPRTQWHOBZDG-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001176997586 1385769360 /nfs/dbraw/zinc/76/93/60/1385769360.db2.gz SPKZVAFQEQJGSA-LJQANCHMSA-N 2 0 335.536 3.093 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2c(C)cccc2C)CCCC1 ZINC001318664708 1385824536 /nfs/dbraw/zinc/82/45/36/1385824536.db2.gz OFARHOVWXWYOBF-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C)cc1C ZINC001698620671 1406257955 /nfs/dbraw/zinc/25/79/55/1406257955.db2.gz HNWVSDHGLQEJHQ-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001177339272 1385919055 /nfs/dbraw/zinc/91/90/55/1385919055.db2.gz AUCFWEMRJVRIPO-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001177342444 1385921184 /nfs/dbraw/zinc/92/11/84/1385921184.db2.gz NHTPREDBPWUYRQ-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]CC=C(C)C)CC1CCCC1)[NH+](C)C ZINC001177348454 1385923675 /nfs/dbraw/zinc/92/36/75/1385923675.db2.gz IJVQMOCQMYEPKJ-LJQANCHMSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)(C(=O)NCCC1CC[NH+](CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001319021376 1385930984 /nfs/dbraw/zinc/93/09/84/1385930984.db2.gz YJXWZFSNXAOJHB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177466992 1385967579 /nfs/dbraw/zinc/96/75/79/1385967579.db2.gz OYIZFELPDKYYHF-UHFFFAOYSA-N 2 0 343.531 3.076 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001177484869 1385974564 /nfs/dbraw/zinc/97/45/64/1385974564.db2.gz LHTWCBIZDSBELH-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177485123 1385974965 /nfs/dbraw/zinc/97/49/65/1385974965.db2.gz SBEBCKTUOSFUDB-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(CC[NH+](CC3CCCCC3)C2)CC1 ZINC001319144142 1385977021 /nfs/dbraw/zinc/97/70/21/1385977021.db2.gz BDTPFOKNBQHYSW-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(CF)cc1 ZINC001178045525 1386114869 /nfs/dbraw/zinc/11/48/69/1386114869.db2.gz NLIBNSOVAXDYMO-LJQANCHMSA-N 2 0 349.494 3.017 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178486721 1386232358 /nfs/dbraw/zinc/23/23/58/1386232358.db2.gz GDYCMDDPNZADJG-KRWDZBQOSA-N 2 0 343.531 3.265 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001178490385 1386234498 /nfs/dbraw/zinc/23/44/98/1386234498.db2.gz LOTBYVVPHOIZGE-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502818 1386237265 /nfs/dbraw/zinc/23/72/65/1386237265.db2.gz YQJNKFCHLAPSCJ-LJQANCHMSA-N 2 0 337.552 3.031 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178689728 1386278691 /nfs/dbraw/zinc/27/86/91/1386278691.db2.gz XERKHCXWCKPVEE-AMIRNFFCSA-N 2 0 335.536 3.185 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001178688860 1386279101 /nfs/dbraw/zinc/27/91/01/1386279101.db2.gz QTWCDJCECWEESZ-LJQANCHMSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693577 1386280324 /nfs/dbraw/zinc/28/03/24/1386280324.db2.gz WRTRTZSCBCOQDW-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CCC1CCCC1)C1CCC1 ZINC001178705413 1386285038 /nfs/dbraw/zinc/28/50/38/1386285038.db2.gz PSGQWLVVKPSVAQ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178816175 1386316422 /nfs/dbraw/zinc/31/64/22/1386316422.db2.gz VJYAGMFZACDDSJ-HXUWFJFHSA-N 2 0 347.547 3.355 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@H]1C ZINC001179025052 1386379603 /nfs/dbraw/zinc/37/96/03/1386379603.db2.gz GWYMCVVGLOCMKN-HKUYNNGSSA-N 2 0 346.519 3.067 20 0 EGADRP CC[C@@H]([NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C)c1ccccc1 ZINC001319943034 1386405766 /nfs/dbraw/zinc/40/57/66/1386405766.db2.gz HPNXGLYTLVYMBG-WOJBJXKFSA-N 2 0 345.531 3.210 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179133843 1386407280 /nfs/dbraw/zinc/40/72/80/1386407280.db2.gz BZJFTORMAPKIKD-YADGQWAMSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179140287 1386409602 /nfs/dbraw/zinc/40/96/02/1386409602.db2.gz XYMVWGMSBGIKSJ-QGZVFWFLSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179234405 1386428477 /nfs/dbraw/zinc/42/84/77/1386428477.db2.gz NBXRZKIUCFMANQ-VDGAXYAQSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179239099 1386428817 /nfs/dbraw/zinc/42/88/17/1386428817.db2.gz QSAODLDYALRONZ-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)ccc2c[nH+]cn21 ZINC001319984454 1386435148 /nfs/dbraw/zinc/43/51/48/1386435148.db2.gz GXTAIJILTVJURU-OAHLLOKOSA-N 2 0 328.460 3.027 20 0 EGADRP Cc1c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)ccc2c[nH+]cn21 ZINC001319984453 1386435184 /nfs/dbraw/zinc/43/51/84/1386435184.db2.gz GXTAIJILTVJURU-HNNXBMFYSA-N 2 0 328.460 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C)C1 ZINC001179388489 1386471435 /nfs/dbraw/zinc/47/14/35/1386471435.db2.gz JLQUYJRVVZHZFF-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001179395567 1386474171 /nfs/dbraw/zinc/47/41/71/1386474171.db2.gz OWDSXRYZENGKMF-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179464528 1386488683 /nfs/dbraw/zinc/48/86/83/1386488683.db2.gz WHCLVQYSEYJUPP-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C)c1ccccc1 ZINC001179549557 1386511897 /nfs/dbraw/zinc/51/18/97/1386511897.db2.gz DXODJTZKQHYSRI-LNLFQRSKSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179580252 1386521844 /nfs/dbraw/zinc/52/18/44/1386521844.db2.gz AVMNXSRQPFTRBF-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001179592747 1386527027 /nfs/dbraw/zinc/52/70/27/1386527027.db2.gz LMJKRWPZJHAIAU-UHFFFAOYSA-N 2 0 347.547 3.083 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001179776766 1386581513 /nfs/dbraw/zinc/58/15/13/1386581513.db2.gz IKQQIUSHLZXMOM-QGZVFWFLSA-N 2 0 336.524 3.435 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788150 1386586012 /nfs/dbraw/zinc/58/60/12/1386586012.db2.gz OLRQNURTHDTPOQ-UXHICEINSA-N 2 0 349.563 3.460 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1cc(C)ccc1C ZINC001179846311 1386605905 /nfs/dbraw/zinc/60/59/05/1386605905.db2.gz AEBPPWQPCDHDLA-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H]1C ZINC001179983333 1386658009 /nfs/dbraw/zinc/65/80/09/1386658009.db2.gz WNQNHGXLHBCJTK-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]C(C)C ZINC001180035606 1386675745 /nfs/dbraw/zinc/67/57/45/1386675745.db2.gz LETGRNUUGKKDKR-SFHVURJKSA-N 2 0 325.541 3.316 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCC2CCCC2)C1 ZINC001180065349 1386685463 /nfs/dbraw/zinc/68/54/63/1386685463.db2.gz OJNGFFVMFIOZTA-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065596 1386685600 /nfs/dbraw/zinc/68/56/00/1386685600.db2.gz VIKZIQBEJJQVCU-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001180117822 1386701869 /nfs/dbraw/zinc/70/18/69/1386701869.db2.gz FKRGKNKLBRAGPT-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180352992 1386772650 /nfs/dbraw/zinc/77/26/50/1386772650.db2.gz XPBMKUFZUQEXQU-QCUQMOABSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001180369490 1386775786 /nfs/dbraw/zinc/77/57/86/1386775786.db2.gz IQNMEJFOQAILTM-UHFFFAOYSA-N 2 0 327.557 3.419 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001180372578 1386777538 /nfs/dbraw/zinc/77/75/38/1386777538.db2.gz CGKQMLRCFCOQDV-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001698674683 1406323469 /nfs/dbraw/zinc/32/34/69/1406323469.db2.gz ROULXFDNEJLXAM-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)ccn1 ZINC001181276601 1386970977 /nfs/dbraw/zinc/97/09/77/1386970977.db2.gz OTKAKVJNDHGFEU-VQIMIIECSA-N 2 0 331.504 3.408 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@]1(C)C[NH2+]CCC1CCCC1 ZINC001181736333 1387048543 /nfs/dbraw/zinc/04/85/43/1387048543.db2.gz NBYXKABDFUSADP-DYESRHJHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCCC1 ZINC001181903958 1387073684 /nfs/dbraw/zinc/07/36/84/1387073684.db2.gz NBDBDQRSOYTZTH-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001182410256 1387162344 /nfs/dbraw/zinc/16/23/44/1387162344.db2.gz JNLRIBITDOUJTM-LVCYWYKZSA-N 2 0 345.531 3.164 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001322370924 1387172907 /nfs/dbraw/zinc/17/29/07/1387172907.db2.gz NJJGOQLEAMOMPY-UXHICEINSA-N 2 0 349.563 3.317 20 0 EGADRP CN(C)c1c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc(F)c1F ZINC001336887617 1389196971 /nfs/dbraw/zinc/19/69/71/1389196971.db2.gz DHYJRULCQJIGMX-IMJJTQAJSA-N 2 0 337.458 3.193 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)co1 ZINC001329754699 1389219007 /nfs/dbraw/zinc/21/90/07/1389219007.db2.gz MQMRYVIMBHZLGF-UHFFFAOYSA-N 2 0 341.455 3.316 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)[NH+](CC)CC ZINC001698732123 1406381415 /nfs/dbraw/zinc/38/14/15/1406381415.db2.gz NNSDDVDOSOEAOU-MOPGFXCFSA-N 2 0 349.494 3.027 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001332505801 1390129278 /nfs/dbraw/zinc/12/92/78/1390129278.db2.gz BDCMVIMSQFGSRF-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC001340514730 1390302948 /nfs/dbraw/zinc/30/29/48/1390302948.db2.gz LPRNXFGVBFQAPA-SJORKVTESA-N 2 0 329.488 3.196 20 0 EGADRP [NH3+]C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCCC1 ZINC001340871580 1390390319 /nfs/dbraw/zinc/39/03/19/1390390319.db2.gz IOXONKCDYSDNQX-RBUKOAKNSA-N 2 0 335.536 3.009 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001333890422 1390431111 /nfs/dbraw/zinc/43/11/11/1390431111.db2.gz CLWWKCAPVVLLHQ-JZXOWHBKSA-N 2 0 342.487 3.151 20 0 EGADRP [NH3+][C@H]1C[C@@](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)(c2ccccc2)C1 ZINC001341556162 1390501811 /nfs/dbraw/zinc/50/18/11/1390501811.db2.gz VKKVIIZDOHBCNX-XYWHTSSQSA-N 2 0 349.478 3.280 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001334309361 1390514773 /nfs/dbraw/zinc/51/47/73/1390514773.db2.gz SNFWIQPPFPBRGT-UFYCRDLUSA-N 2 0 343.515 3.098 20 0 EGADRP CCCN(C(=O)CCCCC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC001343038281 1390686734 /nfs/dbraw/zinc/68/67/34/1390686734.db2.gz VGCWDSLNGSAXBQ-UHFFFAOYSA-N 2 0 345.531 3.409 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343333053 1390707613 /nfs/dbraw/zinc/70/76/13/1390707613.db2.gz MGKGPYWCJVUAAY-OKZBNKHCSA-N 2 0 332.536 3.417 20 0 EGADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001343334538 1390707965 /nfs/dbraw/zinc/70/79/65/1390707965.db2.gz UBHRUJBYBVDNGX-RYQLBKOJSA-N 2 0 332.488 3.174 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cccc4ccoc43)c2)CC1 ZINC001344063627 1390753195 /nfs/dbraw/zinc/75/31/95/1390753195.db2.gz WARHAXIVUQBOBV-UHFFFAOYSA-N 2 0 349.478 3.470 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001344430661 1390790935 /nfs/dbraw/zinc/79/09/35/1390790935.db2.gz YNCBAMOBYWFHBW-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CN3C[C@](C)(C4CCCC4)CC3=O)C[C@H]2C1 ZINC001345108204 1390838028 /nfs/dbraw/zinc/83/80/28/1390838028.db2.gz JDONQLPWMXOTMT-VGUOSERISA-N 2 0 347.547 3.035 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001346017753 1390901255 /nfs/dbraw/zinc/90/12/55/1390901255.db2.gz PFHPCKOYFVWWJA-KRWDZBQOSA-N 2 0 329.488 3.096 20 0 EGADRP COc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC001348842303 1391273614 /nfs/dbraw/zinc/27/36/14/1391273614.db2.gz YBZATDTWVSOYLT-LBPRGKRZSA-N 2 0 333.863 3.404 20 0 EGADRP Fc1ccc(-c2cc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)on2)cc1 ZINC001349390030 1391326454 /nfs/dbraw/zinc/32/64/54/1391326454.db2.gz RVUKKWDCOCOGTG-UHFFFAOYSA-N 2 0 329.419 3.446 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001698829321 1406522627 /nfs/dbraw/zinc/52/26/27/1406522627.db2.gz VWERTQXDFFVLAS-WMZOPIPTSA-N 2 0 331.504 3.059 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cn3ccc(-c4ccsc4)n3)C[C@@H]2C1 ZINC001352760943 1391843934 /nfs/dbraw/zinc/84/39/34/1391843934.db2.gz MWTJRBYOMUTQSU-BHYGNILZSA-N 2 0 330.501 3.231 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001698845892 1406546392 /nfs/dbraw/zinc/54/63/92/1406546392.db2.gz QNMSBJVXESOIRD-ZWKOTPCHSA-N 2 0 347.547 3.470 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001479826887 1392414416 /nfs/dbraw/zinc/41/44/16/1392414416.db2.gz OXPCXYIPKPITFB-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001479907142 1392474610 /nfs/dbraw/zinc/47/46/10/1392474610.db2.gz LJEKHGPDEBLNDV-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001480357812 1392703871 /nfs/dbraw/zinc/70/38/71/1392703871.db2.gz DYPFRWLFHVTULI-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001480382166 1392726070 /nfs/dbraw/zinc/72/60/70/1392726070.db2.gz HQLNYJAQPOVVAB-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001480733225 1392897543 /nfs/dbraw/zinc/89/75/43/1392897543.db2.gz KEVXKGHXSWYMQD-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480735783 1392900952 /nfs/dbraw/zinc/90/09/52/1392900952.db2.gz YJXFMPFBWZYAKI-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001480863780 1392987624 /nfs/dbraw/zinc/98/76/24/1392987624.db2.gz GIIOBCOYZKRDBB-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001480865073 1392987777 /nfs/dbraw/zinc/98/77/77/1392987777.db2.gz ZZZPFCMWYZRYTC-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)cc1C ZINC001480979393 1393063872 /nfs/dbraw/zinc/06/38/72/1393063872.db2.gz HXLOSXFECZGUMD-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCc1ccccc1C[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490335483 1393176004 /nfs/dbraw/zinc/17/60/04/1393176004.db2.gz OWWAYGKSUFQQHT-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001481386494 1394225901 /nfs/dbraw/zinc/22/59/01/1394225901.db2.gz SFTGOGAJLJPKDA-RLLQIKCJSA-N 2 0 343.515 3.155 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001490579500 1394272241 /nfs/dbraw/zinc/27/22/41/1394272241.db2.gz DAPBTGNAMLVUHF-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]([NH2+]CCC2CCCCCC2)C2CC2)CCC1 ZINC001490666886 1394290658 /nfs/dbraw/zinc/29/06/58/1394290658.db2.gz AQVZENMONKLCOZ-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC1CC(C[N@H+](C)CCC2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001698951711 1406692915 /nfs/dbraw/zinc/69/29/15/1406692915.db2.gz HZUHTBUPMUFLSD-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](C(=O)NCC1C[NH+](CCCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001481648135 1394430869 /nfs/dbraw/zinc/43/08/69/1394430869.db2.gz NRHQQMYOKZXPTR-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1F ZINC001491273839 1394500219 /nfs/dbraw/zinc/50/02/19/1394500219.db2.gz MNSFTMVNFMCMPO-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001481773450 1394518252 /nfs/dbraw/zinc/51/82/52/1394518252.db2.gz VNWRPMRWGNIKBC-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CCCCCC1 ZINC001481819081 1394544722 /nfs/dbraw/zinc/54/47/22/1394544722.db2.gz QJAJABUIAMFQFQ-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001481839958 1394553463 /nfs/dbraw/zinc/55/34/63/1394553463.db2.gz HMBVEHMAOFGZIY-RBUKOAKNSA-N 2 0 345.531 3.063 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001482059303 1394720335 /nfs/dbraw/zinc/72/03/35/1394720335.db2.gz RMOIOFGJIKCPAS-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CCCC1)[NH+](C)C ZINC001482235403 1394830309 /nfs/dbraw/zinc/83/03/09/1394830309.db2.gz DSCMJUZXGPLOJW-IBGZPJMESA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1)[NH+](C)C ZINC001482407491 1394971287 /nfs/dbraw/zinc/97/12/87/1394971287.db2.gz YYFJJWSKXYQFHR-OALUTQOASA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001482495721 1395047638 /nfs/dbraw/zinc/04/76/38/1395047638.db2.gz SOOQUUWDWAAWNC-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c(C)c1 ZINC001483909541 1395140266 /nfs/dbraw/zinc/14/02/66/1395140266.db2.gz SYVLDDDBWCADTH-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001484106441 1395254597 /nfs/dbraw/zinc/25/45/97/1395254597.db2.gz HEPDGBCORGRVBD-OAQYLSRUSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CCCC3CCC3)C2)CCC1 ZINC001484159456 1395295017 /nfs/dbraw/zinc/29/50/17/1395295017.db2.gz AZBGFIXRFVXEMN-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001484716079 1395476524 /nfs/dbraw/zinc/47/65/24/1395476524.db2.gz CBUXBMAJVKDHFT-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001484769007 1395526335 /nfs/dbraw/zinc/52/63/35/1395526335.db2.gz KNQGHLBFUJGZQI-LJQANCHMSA-N 2 0 345.531 3.404 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001485239936 1395732881 /nfs/dbraw/zinc/73/28/81/1395732881.db2.gz IKXHEBDCEJDIHG-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001485300723 1395779048 /nfs/dbraw/zinc/77/90/48/1395779048.db2.gz FPMKFRRYASLCBB-MSOLQXFVSA-N 2 0 345.531 3.449 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185375 1396181368 /nfs/dbraw/zinc/18/13/68/1396181368.db2.gz AIBSYAJTUZDQHY-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001505411563 1396295049 /nfs/dbraw/zinc/29/50/49/1396295049.db2.gz QOKWDMICARTUSY-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1cccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC2)c1 ZINC001495918827 1396572411 /nfs/dbraw/zinc/57/24/11/1396572411.db2.gz LNFFLBIYRDSNAQ-IBGZPJMESA-N 2 0 345.531 3.100 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001690049227 1404282234 /nfs/dbraw/zinc/28/22/34/1404282234.db2.gz ICEWRBJRAUCAOU-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001690215938 1404424034 /nfs/dbraw/zinc/42/40/34/1404424034.db2.gz FEGQOKAVJWQUSC-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001690301758 1404460281 /nfs/dbraw/zinc/46/02/81/1404460281.db2.gz LUCXNDJJIWGKQS-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]CC3CCCC3)C2)CCCCC1 ZINC001690728018 1404699370 /nfs/dbraw/zinc/69/93/70/1404699370.db2.gz IUVMRNDXZQIPOF-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001725186958 1425721005 /nfs/dbraw/zinc/72/10/05/1425721005.db2.gz FYLATRKTONILQY-IAGOWNOFSA-N 2 0 345.531 3.015 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001690825042 1404762718 /nfs/dbraw/zinc/76/27/18/1404762718.db2.gz QCNNSGAAOKGWCV-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CN(CCNC(=O)c1cc2c[nH]ccc-2n1)Cc1ccc(Cl)s1 ZINC001690951312 1404861531 /nfs/dbraw/zinc/86/15/31/1404861531.db2.gz NKHHCGAGNQJOKG-UHFFFAOYSA-N 2 0 348.859 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001691441362 1405271399 /nfs/dbraw/zinc/27/13/99/1405271399.db2.gz OPSCDYYFAZVQEX-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691503977 1405308093 /nfs/dbraw/zinc/30/80/93/1405308093.db2.gz MWJKHBHSXIDDLA-BZSNNMDCSA-N 2 0 343.515 3.025 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001732040671 1428269553 /nfs/dbraw/zinc/26/95/53/1428269553.db2.gz JFLXPPBNXRTLFV-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001732280789 1428512472 /nfs/dbraw/zinc/51/24/72/1428512472.db2.gz DOAOTSMHDNUXOH-OALUTQOASA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732419579 1428573773 /nfs/dbraw/zinc/57/37/73/1428573773.db2.gz NWYSYHKSKBNAFO-MSOLQXFVSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001732488895 1428611684 /nfs/dbraw/zinc/61/16/84/1428611684.db2.gz ONNBXOSWAMFOCX-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc2ccccc2c1)[NH+](C)C ZINC001699213533 1412579317 /nfs/dbraw/zinc/57/93/17/1412579317.db2.gz DUSXYNNKUWEDBJ-FQEVSTJZSA-N 2 0 341.499 3.118 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC001699676900 1413071550 /nfs/dbraw/zinc/07/15/50/1413071550.db2.gz YEALABMTSRGVHO-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001699847999 1413277351 /nfs/dbraw/zinc/27/73/51/1413277351.db2.gz NNEDRHTYTZZUCX-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](Cc2cccc(C)c2)C1 ZINC001699876305 1413333432 /nfs/dbraw/zinc/33/34/32/1413333432.db2.gz DKQBECCCOHSUAF-OAQYLSRUSA-N 2 0 345.531 3.055 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001700019638 1413466886 /nfs/dbraw/zinc/46/68/86/1413466886.db2.gz TUHZKBGMYFZBQV-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001700132035 1413548327 /nfs/dbraw/zinc/54/83/27/1413548327.db2.gz MQJKSFXZVSGKPX-KRWDZBQOSA-N 2 0 349.544 3.059 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)c3sccc3C[NH+](C)C)CCC2)C1 ZINC001700132119 1413548366 /nfs/dbraw/zinc/54/83/66/1413548366.db2.gz POIRIIPVKTWLHA-UHFFFAOYSA-N 2 0 349.544 3.098 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001700194114 1413630013 /nfs/dbraw/zinc/63/00/13/1413630013.db2.gz JQCBPQOVRGYEBI-SFHVURJKSA-N 2 0 345.487 3.053 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CCC)C1 ZINC001700199112 1413641258 /nfs/dbraw/zinc/64/12/58/1413641258.db2.gz SYZHEWUKGUMODF-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001700314439 1413769736 /nfs/dbraw/zinc/76/97/36/1413769736.db2.gz SZTLFWFXHBZMTN-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001700437449 1414006431 /nfs/dbraw/zinc/00/64/31/1414006431.db2.gz KYWHNJLPWOOBCJ-ACBHZAAOSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CCC1CCCCCC1 ZINC001700459824 1414055640 /nfs/dbraw/zinc/05/56/40/1414055640.db2.gz FQWFAPZOQFOUKY-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700482240 1414121477 /nfs/dbraw/zinc/12/14/77/1414121477.db2.gz XRRPWMXFGBIQOX-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001700555800 1414225881 /nfs/dbraw/zinc/22/58/81/1414225881.db2.gz UDAYBTIWNRQVJO-KXBFYZLASA-N 2 0 349.494 3.055 20 0 EGADRP CCc1cccc(C[NH+]2CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]2C)c1 ZINC001700885933 1414544552 /nfs/dbraw/zinc/54/45/52/1414544552.db2.gz AIDZQEAMWIPTLD-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC1CCCC1 ZINC001707442627 1417346751 /nfs/dbraw/zinc/34/67/51/1417346751.db2.gz HLVVDGXCSAKICY-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707443546 1417347093 /nfs/dbraw/zinc/34/70/93/1417347093.db2.gz PMUHQRABBOGZLZ-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)C1 ZINC001713142668 1417724649 /nfs/dbraw/zinc/72/46/49/1417724649.db2.gz CWPPGBAPJHPZEI-WCIQWLHISA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713219218 1417799472 /nfs/dbraw/zinc/79/94/72/1417799472.db2.gz LFGNCZDVYPVPCN-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001713310983 1417935722 /nfs/dbraw/zinc/93/57/22/1417935722.db2.gz GRTHJVCGYNNPOX-JKSUJKDBSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001713328403 1417953346 /nfs/dbraw/zinc/95/33/46/1417953346.db2.gz XQXIRSUVYXOJCQ-ROUUACIJSA-N 2 0 345.531 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001713399538 1418019439 /nfs/dbraw/zinc/01/94/39/1418019439.db2.gz OQOALAGDTCSZFF-SJORKVTESA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713399537 1418019509 /nfs/dbraw/zinc/01/95/09/1418019509.db2.gz OQOALAGDTCSZFF-IRXDYDNUSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccccc1 ZINC001713454187 1418103266 /nfs/dbraw/zinc/10/32/66/1418103266.db2.gz CYQGFFAYSAONCH-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](C)Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001713473264 1418147115 /nfs/dbraw/zinc/14/71/15/1418147115.db2.gz SFZXNBJQCIJNTR-HXUWFJFHSA-N 2 0 341.499 3.036 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H](C[N@H+](C)CCCC3CCC3)C2)CC1 ZINC001713757235 1418562644 /nfs/dbraw/zinc/56/26/44/1418562644.db2.gz FOUIBISZTLIRJL-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001714134657 1418937590 /nfs/dbraw/zinc/93/75/90/1418937590.db2.gz IYZYLDSYVHKSIN-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001714194708 1419000195 /nfs/dbraw/zinc/00/01/95/1419000195.db2.gz MPSYUYDLELGDEM-KKXNLOMOSA-N 2 0 345.531 3.415 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(C[NH2+]CC(C)C)cc2)C1 ZINC001714321086 1419099448 /nfs/dbraw/zinc/09/94/48/1419099448.db2.gz MVMRRGXEIOXCML-FQEVSTJZSA-N 2 0 345.531 3.170 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](CC)C1 ZINC001733203846 1429309215 /nfs/dbraw/zinc/30/92/15/1429309215.db2.gz YNALQMUHIWAACO-VQTJNVASSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1)[NH+](CC)CC ZINC001714366096 1419125908 /nfs/dbraw/zinc/12/59/08/1419125908.db2.gz MAMUAJOKFQASHP-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001714445519 1419177303 /nfs/dbraw/zinc/17/73/03/1419177303.db2.gz JWNZPGDILCSGGP-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCCC(C)(C)C)C1CC1 ZINC001714666784 1419455255 /nfs/dbraw/zinc/45/52/55/1419455255.db2.gz UICZHZQWTVWCRP-GOSISDBHSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001714769685 1419500434 /nfs/dbraw/zinc/50/04/34/1419500434.db2.gz FPCXVDPFPYUCKY-PXNSSMCTSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001714885399 1419625872 /nfs/dbraw/zinc/62/58/72/1419625872.db2.gz WPTCKFLIPYWIKG-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001715033375 1419766877 /nfs/dbraw/zinc/76/68/77/1419766877.db2.gz VYOHJQDWVRZPMV-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001715039868 1419777287 /nfs/dbraw/zinc/77/72/87/1419777287.db2.gz PBNHCTBPZJQHLA-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001715044304 1419784590 /nfs/dbraw/zinc/78/45/90/1419784590.db2.gz OKNMPIHLSVIZGU-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CCC(C)(C)CC2)CCCC1 ZINC001715087857 1419827715 /nfs/dbraw/zinc/82/77/15/1419827715.db2.gz CXTCOCDFFPHFJN-SFHVURJKSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001715122692 1419867956 /nfs/dbraw/zinc/86/79/56/1419867956.db2.gz BJGLMLDFPONKMP-RXVVDRJESA-N 2 0 349.563 3.317 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001715377139 1420073254 /nfs/dbraw/zinc/07/32/54/1420073254.db2.gz MITHTKZTBFGDKF-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001715540148 1420237836 /nfs/dbraw/zinc/23/78/36/1420237836.db2.gz RQGAUCTVKGEXAJ-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCCc2ccc(F)cc21)NC(=O)CCC[NH+](C)C ZINC001715678838 1420291209 /nfs/dbraw/zinc/29/12/09/1420291209.db2.gz LBXFAXNYQQOBTM-DNVCBOLYSA-N 2 0 349.494 3.029 20 0 EGADRP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C)cc1C ZINC001715715840 1420308329 /nfs/dbraw/zinc/30/83/29/1420308329.db2.gz WNLRVPXAJLTOPK-UXHICEINSA-N 2 0 347.547 3.120 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001716018875 1420473764 /nfs/dbraw/zinc/47/37/64/1420473764.db2.gz BMUKUIHRQMTFCE-KRWDZBQOSA-N 2 0 345.531 3.231 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001716406028 1420638586 /nfs/dbraw/zinc/63/85/86/1420638586.db2.gz DPRRRCIZIFNOQX-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccccc1C ZINC001716635345 1420793211 /nfs/dbraw/zinc/79/32/11/1420793211.db2.gz BSVDEDPVIOWRSE-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001716771069 1420915035 /nfs/dbraw/zinc/91/50/35/1420915035.db2.gz QXOLFJNFNZZPAS-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001716880527 1421004925 /nfs/dbraw/zinc/00/49/25/1421004925.db2.gz OTGMHKRCBBUPFJ-JXFKEZNVSA-N 2 0 349.494 3.057 20 0 EGADRP CCc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001717338071 1421275352 /nfs/dbraw/zinc/27/53/52/1421275352.db2.gz PKHSJDKFOMFCLF-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CC1(C)C)[NH+](C)C ZINC001717585853 1421513364 /nfs/dbraw/zinc/51/33/64/1421513364.db2.gz YZHIUXYJNYJAAS-ZWKOTPCHSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(CC)c2)C[C@H]1C ZINC001717826687 1421640402 /nfs/dbraw/zinc/64/04/02/1421640402.db2.gz DOECLAGMIWHMSP-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2)[C@H]1C ZINC001717860909 1421673754 /nfs/dbraw/zinc/67/37/54/1421673754.db2.gz RFSRLIABEGBGGL-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001733335173 1429519845 /nfs/dbraw/zinc/51/98/45/1429519845.db2.gz FWIRVQPAJFUBPG-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)C[C@H]1C ZINC001733336403 1429521554 /nfs/dbraw/zinc/52/15/54/1429521554.db2.gz UGQDAPYWAAOXIS-SJLPKXTDSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723483890 1424435823 /nfs/dbraw/zinc/43/58/23/1424435823.db2.gz KZDMLWPMWQUKPX-MOPGFXCFSA-N 2 0 343.515 3.123 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C[C@@H]1C ZINC001723877242 1424595706 /nfs/dbraw/zinc/59/57/06/1424595706.db2.gz TYRPHLXQQKOLLP-HWJGFJICSA-N 2 0 343.515 3.011 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724172518 1424706236 /nfs/dbraw/zinc/70/62/36/1424706236.db2.gz BPYBLDQPONKZJM-AZUAARDMSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc(C[N@H+]2CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001724330668 1424823971 /nfs/dbraw/zinc/82/39/71/1424823971.db2.gz QDPSRBXBODJIBU-OAQYLSRUSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001724554863 1424910500 /nfs/dbraw/zinc/91/05/00/1424910500.db2.gz NVFQSQQUJGFAIA-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001724752633 1425123175 /nfs/dbraw/zinc/12/31/75/1425123175.db2.gz UEWNNJQUIZVDKY-UAPYVXQJSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001724834866 1425181815 /nfs/dbraw/zinc/18/18/15/1425181815.db2.gz HAHHQDORRHCNFJ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CCC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001724834867 1425181954 /nfs/dbraw/zinc/18/19/54/1425181954.db2.gz HAHHQDORRHCNFJ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724850464 1425211630 /nfs/dbraw/zinc/21/16/30/1425211630.db2.gz FQUXYNBTNVTQLO-KRWDZBQOSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001724851810 1425216139 /nfs/dbraw/zinc/21/61/39/1425216139.db2.gz MCUUAHWHFJQRLA-OAHLLOKOSA-N 2 0 330.476 3.083 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CCCCCC2)[C@@H](C)C1 ZINC001724943433 1425327873 /nfs/dbraw/zinc/32/78/73/1425327873.db2.gz GQBXPLBHQHRBBM-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001725003064 1425413401 /nfs/dbraw/zinc/41/34/01/1425413401.db2.gz NFORVTMBAWZDEI-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC001725004134 1425417065 /nfs/dbraw/zinc/41/70/65/1425417065.db2.gz UOZQRODXLWYEGG-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C)CC1 ZINC001725190078 1425733001 /nfs/dbraw/zinc/73/30/01/1425733001.db2.gz ZPAZGYLONKJYKE-QGZVFWFLSA-N 2 0 339.568 3.370 20 0 EGADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CCCC1CCCC1 ZINC001725190430 1425734610 /nfs/dbraw/zinc/73/46/10/1425734610.db2.gz NXOGRDIZVWMMTR-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001725464038 1426130891 /nfs/dbraw/zinc/13/08/91/1426130891.db2.gz WVXAGOWXZPEWMK-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1C)C(C)(C)C)[NH+](C)C ZINC001725747243 1426424560 /nfs/dbraw/zinc/42/45/60/1426424560.db2.gz QNEZXXWVRZZMKS-MOPGFXCFSA-N 2 0 347.547 3.264 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C ZINC001725753606 1426432528 /nfs/dbraw/zinc/43/25/28/1426432528.db2.gz WLIYGLPDPRYCAN-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2c(C)cc(C)cc2C)C1)[NH+](C)C ZINC001725786256 1426472070 /nfs/dbraw/zinc/47/20/70/1426472070.db2.gz KRPNGGGJDZVXBJ-QLOJAFMTSA-N 2 0 345.531 3.031 20 0 EGADRP C[N@H+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001731464408 1427441746 /nfs/dbraw/zinc/44/17/46/1427441746.db2.gz LZBPDMFGBUJJLC-JLYLLQBASA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731558747 1427589878 /nfs/dbraw/zinc/58/98/78/1427589878.db2.gz LSCCRCGBJQJUQP-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001731720676 1427789059 /nfs/dbraw/zinc/78/90/59/1427789059.db2.gz OPEXWJBEQSXYEJ-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)C1 ZINC001733722292 1429944931 /nfs/dbraw/zinc/94/49/31/1429944931.db2.gz QXQANDGZOGNORR-MSOLQXFVSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001733769843 1429998720 /nfs/dbraw/zinc/99/87/20/1429998720.db2.gz QHXUDLNJWPQPIN-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733773236 1430009753 /nfs/dbraw/zinc/00/97/53/1430009753.db2.gz ZSAAQLRTOPUSBB-LZLYRXPVSA-N 2 0 349.494 3.007 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733783038 1430050782 /nfs/dbraw/zinc/05/07/82/1430050782.db2.gz VJOFEEHTCCQFHN-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001733919792 1437733425 /nfs/dbraw/zinc/73/34/25/1437733425.db2.gz LBJHTDFYMZQYRD-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734055707 1437846480 /nfs/dbraw/zinc/84/64/80/1437846480.db2.gz BNQSHYPAZVXAQL-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CCC(CC)C[N@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001734273114 1438004814 /nfs/dbraw/zinc/00/48/14/1438004814.db2.gz BYYBTEPVJISYQP-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001734462643 1438119120 /nfs/dbraw/zinc/11/91/20/1438119120.db2.gz UNIPWQOKOUONQT-VQIMIIECSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001752160224 1440148954 /nfs/dbraw/zinc/14/89/54/1440148954.db2.gz ZKEOFPQDULFIRZ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C)cc1C ZINC001752189800 1440152426 /nfs/dbraw/zinc/15/24/26/1440152426.db2.gz MQWNMGLCWMQQLF-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001752423214 1440176261 /nfs/dbraw/zinc/17/62/61/1440176261.db2.gz GULJCJSFQULNMT-XFHJGTJQSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001752771922 1440206217 /nfs/dbraw/zinc/20/62/17/1440206217.db2.gz HDKRUHDXSCHJRT-KDURUIRLSA-N 2 0 345.531 3.063 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCCC2)CCC1 ZINC001752827866 1440224323 /nfs/dbraw/zinc/22/43/23/1440224323.db2.gz ICWLDLKXWJDLTJ-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001752829691 1440224989 /nfs/dbraw/zinc/22/49/89/1440224989.db2.gz QBTFHMSRDJGFLA-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752836790 1440228234 /nfs/dbraw/zinc/22/82/34/1440228234.db2.gz PVDHZKDYKQIPKY-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752840426 1440230217 /nfs/dbraw/zinc/23/02/17/1440230217.db2.gz JWWHMPLHSPOUPN-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001752850314 1440233448 /nfs/dbraw/zinc/23/34/48/1440233448.db2.gz BWQGHPOGVHJJHV-ABHNRTSZSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001752894553 1440241563 /nfs/dbraw/zinc/24/15/63/1440241563.db2.gz JLGIWIWDZFQEIL-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC001752903299 1440243619 /nfs/dbraw/zinc/24/36/19/1440243619.db2.gz NZHJLNVPWRQRMW-MOPGFXCFSA-N 2 0 345.531 3.162 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752949483 1440251986 /nfs/dbraw/zinc/25/19/86/1440251986.db2.gz LXHZBLLKMVVMLY-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001752979528 1440256805 /nfs/dbraw/zinc/25/68/05/1440256805.db2.gz BUQYROGHUNNQTD-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001752991986 1440259569 /nfs/dbraw/zinc/25/95/69/1440259569.db2.gz BXLJTNUDULHTHB-KAGICYHLSA-N 2 0 335.536 3.140 20 0 EGADRP C[NH+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001752997815 1440262997 /nfs/dbraw/zinc/26/29/97/1440262997.db2.gz XYTLRCQJRSYFDV-LJQANCHMSA-N 2 0 345.531 3.087 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001753011186 1440266974 /nfs/dbraw/zinc/26/69/74/1440266974.db2.gz QIBFZWBXDWEKBQ-GOSISDBHSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753039739 1440275782 /nfs/dbraw/zinc/27/57/82/1440275782.db2.gz JAVSTQWJJCEZIR-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+]2CCCC2)cs1 ZINC001753120721 1440313510 /nfs/dbraw/zinc/31/35/10/1440313510.db2.gz YPIVWVAOLJPMDU-SFHVURJKSA-N 2 0 349.544 3.013 20 0 EGADRP CCC[N@H+](CCNC(=O)Cn1cncc1C)[C@@H](C)c1ccccc1C ZINC001753146297 1440324700 /nfs/dbraw/zinc/32/47/00/1440324700.db2.gz PPOQPSBMTCZDLB-SFHVURJKSA-N 2 0 342.487 3.089 20 0 EGADRP CC(C)(C)CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001753160816 1440333804 /nfs/dbraw/zinc/33/38/04/1440333804.db2.gz BWKZEOONNJXJPV-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[N@H+](CCNC(=O)CC[NH+]2CCCCC2)C2CC2)cs1 ZINC001753165602 1440335862 /nfs/dbraw/zinc/33/58/62/1440335862.db2.gz ZNHQSYPDMVCZJC-UHFFFAOYSA-N 2 0 349.544 3.013 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1)[NH+](CC)CC ZINC001753278215 1440346675 /nfs/dbraw/zinc/34/66/75/1440346675.db2.gz OUGHXHKBDLCCAB-QFBILLFUSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001753328777 1440368143 /nfs/dbraw/zinc/36/81/43/1440368143.db2.gz ZWQOZUHOADSJEF-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001753333972 1440371095 /nfs/dbraw/zinc/37/10/95/1440371095.db2.gz GORXFDSKTCALBJ-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753335130 1440371862 /nfs/dbraw/zinc/37/18/62/1440371862.db2.gz JLZRGQCQLZXGGV-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001753350246 1440377477 /nfs/dbraw/zinc/37/74/77/1440377477.db2.gz FRQKUCUMSPAQIZ-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001753350245 1440377507 /nfs/dbraw/zinc/37/75/07/1440377507.db2.gz FRQKUCUMSPAQIZ-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC001753350905 1440377938 /nfs/dbraw/zinc/37/79/38/1440377938.db2.gz AMGBSWRNTNECJF-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001753439661 1440401201 /nfs/dbraw/zinc/40/12/01/1440401201.db2.gz PZFWWUQIHQRTQU-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753480695 1440416448 /nfs/dbraw/zinc/41/64/48/1440416448.db2.gz AQNJPDZYQVKOPL-IBGZPJMESA-N 2 0 345.531 3.108 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001753523649 1440429039 /nfs/dbraw/zinc/42/90/39/1440429039.db2.gz OEADJEJLNUHGNR-PZJWPPBQSA-N 2 0 347.547 3.236 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1)C1CCCCC1 ZINC001753584003 1440440835 /nfs/dbraw/zinc/44/08/35/1440440835.db2.gz WCAJXOFGDVCNSR-QAQDUYKDSA-N 2 0 341.515 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001753587107 1440441655 /nfs/dbraw/zinc/44/16/55/1440441655.db2.gz NJFGWMRFZABEFB-FHWLQOOXSA-N 2 0 345.531 3.415 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001753587196 1440441718 /nfs/dbraw/zinc/44/17/18/1440441718.db2.gz QITQOUVJLRTGQA-QAQDUYKDSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CCCC(C)(C)C ZINC001753625800 1440451219 /nfs/dbraw/zinc/45/12/19/1440451219.db2.gz LRJAETNVSSJZLG-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1)[NH+]1CCCC1 ZINC001753666246 1440460312 /nfs/dbraw/zinc/46/03/12/1440460312.db2.gz ARXRLZRCTRJAAU-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001753702136 1440468764 /nfs/dbraw/zinc/46/87/64/1440468764.db2.gz UUJIMLZKROUDGO-UYAOXDASSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001753726746 1440474610 /nfs/dbraw/zinc/47/46/10/1440474610.db2.gz QQVTXEAIPASAOQ-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001753749616 1440482159 /nfs/dbraw/zinc/48/21/59/1440482159.db2.gz MWRJIOAXCLEMCM-RBUKOAKNSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001753755679 1440483060 /nfs/dbraw/zinc/48/30/60/1440483060.db2.gz VBQDGJJLLWNAFU-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1C ZINC001753787298 1440488301 /nfs/dbraw/zinc/48/83/01/1440488301.db2.gz DDMOAACYBNCTMA-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753798578 1440490315 /nfs/dbraw/zinc/49/03/15/1440490315.db2.gz YLEYCYDCNFAEOE-RRFGBZISSA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001753814447 1440493463 /nfs/dbraw/zinc/49/34/63/1440493463.db2.gz RBPHPIUGUXZVGB-OALUTQOASA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CC=C(C)C)CC1 ZINC001753820326 1440495579 /nfs/dbraw/zinc/49/55/79/1440495579.db2.gz TXKLOPHAGMRQQJ-HXUWFJFHSA-N 2 0 349.563 3.388 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[N@@H+](C)CC)CC2)o1 ZINC001753824066 1440497656 /nfs/dbraw/zinc/49/76/56/1440497656.db2.gz UEYKOGBJBCBQQY-UHFFFAOYSA-N 2 0 349.519 3.315 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC2CCCCC2)CCC1 ZINC001753886755 1440521352 /nfs/dbraw/zinc/52/13/52/1440521352.db2.gz DKXCABHPFPFIMH-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001753887951 1440521623 /nfs/dbraw/zinc/52/16/23/1440521623.db2.gz LJWKRYMXWUOVNL-RDJZCZTQSA-N 2 0 349.544 3.264 20 0 EGADRP C[C@@H](CC[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C1([NH+](C)C)CCC1 ZINC001753970847 1440527192 /nfs/dbraw/zinc/52/71/92/1440527192.db2.gz LPVNARBXXJEAEL-QFBILLFUSA-N 2 0 343.515 3.033 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1 ZINC001754209832 1440551019 /nfs/dbraw/zinc/55/10/19/1440551019.db2.gz MDUNOTZHCHPETH-IHWYPQMZSA-N 2 0 347.547 3.095 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754225459 1440553277 /nfs/dbraw/zinc/55/32/77/1440553277.db2.gz XSWQDKYQTXZQIW-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001754239081 1440555386 /nfs/dbraw/zinc/55/53/86/1440555386.db2.gz NBWFACFPSNFUAN-IAGOWNOFSA-N 2 0 345.531 3.307 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001754273656 1440561984 /nfs/dbraw/zinc/56/19/84/1440561984.db2.gz AUNYFBKXSZFTAU-ICSRJNTNSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C)c1 ZINC001754337686 1440587345 /nfs/dbraw/zinc/58/73/45/1440587345.db2.gz YKCFPDJIVVJMBP-QZTJIDSGSA-N 2 0 333.520 3.141 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754371037 1440592614 /nfs/dbraw/zinc/59/26/14/1440592614.db2.gz VOKRNMKPKIBDNC-ICSRJNTNSA-N 2 0 345.531 3.367 20 0 EGADRP CN(CCC[NH2+]Cc1ccccc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754386727 1440593970 /nfs/dbraw/zinc/59/39/70/1440593970.db2.gz ZILXOGFHATYYHX-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CC(C)(C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCCC1 ZINC001754442230 1440599439 /nfs/dbraw/zinc/59/94/39/1440599439.db2.gz UOXSNCDWTJLWDH-IBGZPJMESA-N 2 0 347.547 3.236 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001754469947 1440605075 /nfs/dbraw/zinc/60/50/75/1440605075.db2.gz GKMPINRKUQIIRD-AWTIPJNISA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001754535792 1440624207 /nfs/dbraw/zinc/62/42/07/1440624207.db2.gz NGZBLFPHGFCAAH-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001754546938 1440628067 /nfs/dbraw/zinc/62/80/67/1440628067.db2.gz ZHSFYWUZZJIBIV-MOPGFXCFSA-N 2 0 335.536 3.118 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001754622087 1440645445 /nfs/dbraw/zinc/64/54/45/1440645445.db2.gz DYDNLXKPJKNMQF-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001754651742 1440652146 /nfs/dbraw/zinc/65/21/46/1440652146.db2.gz TUCPWCWPKJNCCJ-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001754655207 1440653249 /nfs/dbraw/zinc/65/32/49/1440653249.db2.gz ZMHJSPKYFDHOSF-SJLPKXTDSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001754700443 1440667852 /nfs/dbraw/zinc/66/78/52/1440667852.db2.gz YJXDPORREUFZRP-QUCCMNQESA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC=C(C)C)C1)[NH+](CC)CC ZINC001754730247 1440678610 /nfs/dbraw/zinc/67/86/10/1440678610.db2.gz DKSPZBWYVLKRIM-AZUAARDMSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754732114 1440680177 /nfs/dbraw/zinc/68/01/77/1440680177.db2.gz NRWKCESSOLQBMF-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1CC ZINC001754788743 1440688304 /nfs/dbraw/zinc/68/83/04/1440688304.db2.gz FUQKCRWBEWBKDI-HXUWFJFHSA-N 2 0 345.531 3.138 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754919720 1440709246 /nfs/dbraw/zinc/70/92/46/1440709246.db2.gz VZISHMNREJWGKC-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754920847 1440709288 /nfs/dbraw/zinc/70/92/88/1440709288.db2.gz JVSRBFIAAKATOS-LLHWWHOWSA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)CC1 ZINC001754955631 1440716375 /nfs/dbraw/zinc/71/63/75/1440716375.db2.gz LGHJELRCHZHWGA-KESTWPANSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)CC2)CC1 ZINC001754955843 1440716428 /nfs/dbraw/zinc/71/64/28/1440716428.db2.gz UIBKWSMLGJHTJD-QAQDUYKDSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754983250 1440721832 /nfs/dbraw/zinc/72/18/32/1440721832.db2.gz QEUALXPTDBKRJA-IBGZPJMESA-N 2 0 347.547 3.380 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754983251 1440721849 /nfs/dbraw/zinc/72/18/49/1440721849.db2.gz QEUALXPTDBKRJA-LJQANCHMSA-N 2 0 347.547 3.380 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC001755026681 1440729078 /nfs/dbraw/zinc/72/90/78/1440729078.db2.gz UYSSGUJSPYRBGH-QGZVFWFLSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001755028919 1440730266 /nfs/dbraw/zinc/73/02/66/1440730266.db2.gz QVMDXMGVAZCLCB-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001755034915 1440733670 /nfs/dbraw/zinc/73/36/70/1440733670.db2.gz BRHMFFHSEXNYSG-OALUTQOASA-N 2 0 349.494 3.151 20 0 EGADRP CCC(CC)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001755039231 1440736195 /nfs/dbraw/zinc/73/61/95/1440736195.db2.gz MAMIGVLOAQTJGU-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001755043410 1440738779 /nfs/dbraw/zinc/73/87/79/1440738779.db2.gz VQNMAQLABHNJKI-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755043620 1440739041 /nfs/dbraw/zinc/73/90/41/1440739041.db2.gz AKNOZBOHBUCCBZ-IAGOWNOFSA-N 2 0 349.494 3.009 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755045557 1440740579 /nfs/dbraw/zinc/74/05/79/1440740579.db2.gz ZQSDOOJNVDUXHD-MJGOQNOKSA-N 2 0 349.494 3.009 20 0 EGADRP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001755071799 1440746926 /nfs/dbraw/zinc/74/69/26/1440746926.db2.gz GZXSCODNNXNUII-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001755075337 1440748476 /nfs/dbraw/zinc/74/84/76/1440748476.db2.gz DTMHMQPTXUSTHS-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001755079410 1440750424 /nfs/dbraw/zinc/75/04/24/1440750424.db2.gz JKKATWOHCMVUDM-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)CCCC[NH+](C)C)C3)C1 ZINC001755079762 1440750647 /nfs/dbraw/zinc/75/06/47/1440750647.db2.gz QGIIUXGXXKHVNX-GZNCHQMQSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001755127109 1440756525 /nfs/dbraw/zinc/75/65/25/1440756525.db2.gz BPBWXOPOJXEKLQ-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001755135769 1440758148 /nfs/dbraw/zinc/75/81/48/1440758148.db2.gz COCCLZFMBBWZOM-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001755135770 1440758214 /nfs/dbraw/zinc/75/82/14/1440758214.db2.gz COCCLZFMBBWZOM-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)[C@H](C)C1 ZINC001755165143 1440766559 /nfs/dbraw/zinc/76/65/59/1440766559.db2.gz GCWNFDPLERAQQN-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccsc2)ccc2c[nH+]cn21 ZINC001755241656 1440789527 /nfs/dbraw/zinc/78/95/27/1440789527.db2.gz FXRYFZCUAAJFFA-CHWSQXEVSA-N 2 0 342.468 3.001 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001755271644 1440797909 /nfs/dbraw/zinc/79/79/09/1440797909.db2.gz VDHWLNMSZUEMEL-RBUKOAKNSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001755289596 1440803399 /nfs/dbraw/zinc/80/33/99/1440803399.db2.gz POCUFEZSKGPFER-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300683 1440808502 /nfs/dbraw/zinc/80/85/02/1440808502.db2.gz VWLMPHMDRBWOBZ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCCC1 ZINC001755301381 1440808655 /nfs/dbraw/zinc/80/86/55/1440808655.db2.gz KTSVMOQXQCIWAQ-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001755368987 1440836634 /nfs/dbraw/zinc/83/66/34/1440836634.db2.gz YWUNMGRNTWSETK-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755390479 1440841860 /nfs/dbraw/zinc/84/18/60/1440841860.db2.gz SCJWMWKECXPYTN-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415451 1440848369 /nfs/dbraw/zinc/84/83/69/1440848369.db2.gz INVKRWYQNWZJOL-YJBOKZPZSA-N 2 0 349.494 3.054 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCCC(C)(C)C)C2 ZINC001755457721 1440856408 /nfs/dbraw/zinc/85/64/08/1440856408.db2.gz UADUQVOXNBOVHS-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]C/C=C\Cl ZINC001755551277 1440872067 /nfs/dbraw/zinc/87/20/67/1440872067.db2.gz UTFWMRHYKXTILD-GJWDQICYSA-N 2 0 343.943 3.122 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001755589998 1440881373 /nfs/dbraw/zinc/88/13/73/1440881373.db2.gz FJZLXQLOBDHQKC-WMZOPIPTSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755661831 1440892821 /nfs/dbraw/zinc/89/28/21/1440892821.db2.gz QLDYWWKGXQZQOI-QFBILLFUSA-N 2 0 349.494 3.081 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001755687628 1440896196 /nfs/dbraw/zinc/89/61/96/1440896196.db2.gz BQOBUEYBMURUFX-OALUTQOASA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001755701549 1440900548 /nfs/dbraw/zinc/90/05/48/1440900548.db2.gz QBHPZJGVRRJSFD-FBBABVLZSA-N 2 0 343.515 3.121 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@]3(NC(=O)CCC[NH+]4CCCC4)CCC[C@H]23)C1 ZINC001755704792 1440902070 /nfs/dbraw/zinc/90/20/70/1440902070.db2.gz QHDGPKFQVQETBU-KWOGNLBTSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001755721157 1440907413 /nfs/dbraw/zinc/90/74/13/1440907413.db2.gz MLUMRCKBZVGJCY-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001755735957 1440910967 /nfs/dbraw/zinc/91/09/67/1440910967.db2.gz PLEHFHMPFKDWEH-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001755743600 1440912098 /nfs/dbraw/zinc/91/20/98/1440912098.db2.gz KRMGKDOEDZKXHV-ICSRJNTNSA-N 2 0 347.547 3.093 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C(C)(C)C1 ZINC001755765104 1440915989 /nfs/dbraw/zinc/91/59/89/1440915989.db2.gz INZXNLUBLJQWCM-PKOBYXMFSA-N 2 0 345.531 3.224 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC001755774536 1440917110 /nfs/dbraw/zinc/91/71/10/1440917110.db2.gz MWYHOHQJNKCAKE-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C(C)(C)C ZINC001755825580 1440927054 /nfs/dbraw/zinc/92/70/54/1440927054.db2.gz ULYNEIBVMAOWRI-OAHLLOKOSA-N 2 0 339.549 3.344 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)CC1 ZINC001755831416 1440928913 /nfs/dbraw/zinc/92/89/13/1440928913.db2.gz URTLZXIWPVRJRO-DAWZGUTISA-N 2 0 339.568 3.275 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001755863244 1440937212 /nfs/dbraw/zinc/93/72/12/1440937212.db2.gz OPNJKMZUXPJRQR-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CCN(C)c1cc(C)[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165045790 721964632 /nfs/dbraw/zinc/96/46/32/721964632.db2.gz ASDXDKCIEUNXKH-QGZVFWFLSA-N 2 0 331.508 3.086 20 0 EGADRP CCOC1CC(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000368089338 168309846 /nfs/dbraw/zinc/30/98/46/168309846.db2.gz LEIAPHLYMFBSPJ-OMYXNUHHSA-N 2 0 328.500 3.255 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000368440906 168356484 /nfs/dbraw/zinc/35/64/84/168356484.db2.gz IXERUTWLOTYSCN-BACDZXNISA-N 2 0 337.508 3.039 20 0 EGADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000181703424 529501445 /nfs/dbraw/zinc/50/14/45/529501445.db2.gz WAAVXWJVWXHPAD-CVEARBPZSA-N 2 0 329.488 3.282 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000264420086 283188271 /nfs/dbraw/zinc/18/82/71/283188271.db2.gz IMYXFTRJFGHUBS-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000190871905 201052427 /nfs/dbraw/zinc/05/24/27/201052427.db2.gz VNCHWQOVWXRPCU-UHFFFAOYSA-N 2 0 341.503 3.035 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCOc2ccc(Br)cc2)CC1 ZINC000236817780 201147628 /nfs/dbraw/zinc/14/76/28/201147628.db2.gz WWBLEHFTSHVKKZ-UHFFFAOYSA-N 2 0 341.293 3.290 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCCOCCOCc2ccccc2)CC1 ZINC000272814381 201252085 /nfs/dbraw/zinc/25/20/85/201252085.db2.gz DDKSVWFSNKPVKX-UHFFFAOYSA-N 2 0 334.504 3.072 20 0 EGADRP C[C@H]([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274962952 201274365 /nfs/dbraw/zinc/27/43/65/201274365.db2.gz WXYZTDJYPILEMQ-PKOBYXMFSA-N 2 0 344.499 3.172 20 0 EGADRP CC[NH+](CC)CCSCC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000074677816 203292403 /nfs/dbraw/zinc/29/24/03/203292403.db2.gz VYNXRXGMNOIFEK-UHFFFAOYSA-N 2 0 337.533 3.070 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000245908897 299402985 /nfs/dbraw/zinc/40/29/85/299402985.db2.gz URLSOGZTTCPJAD-YGWPLHOASA-N 2 0 344.499 3.235 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132305866 203675958 /nfs/dbraw/zinc/67/59/58/203675958.db2.gz OHTVPQSLXQKBQG-YLJYHZDGSA-N 2 0 333.520 3.008 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)cc1)C(C)C ZINC000108781708 204271242 /nfs/dbraw/zinc/27/12/42/204271242.db2.gz FQPQIXZUZCIEHA-SFHVURJKSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)N1CC[NH+](C)CC1 ZINC000127854519 205120277 /nfs/dbraw/zinc/12/02/77/205120277.db2.gz ZGOXZGRNWQFGOL-ROUUACIJSA-N 2 0 338.499 3.035 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000131328132 205282448 /nfs/dbraw/zinc/28/24/48/205282448.db2.gz YPODQHOSEDTKEO-DLBZAZTESA-N 2 0 329.492 3.428 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)o1 ZINC000132811730 205343615 /nfs/dbraw/zinc/34/36/15/205343615.db2.gz NUYDULNCZJSNEK-INIZCTEOSA-N 2 0 328.456 3.396 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)CCC2 ZINC000132860325 205344560 /nfs/dbraw/zinc/34/45/60/205344560.db2.gz BYQKNNKFKLRBTD-IAGOWNOFSA-N 2 0 328.500 3.327 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000157625476 206147924 /nfs/dbraw/zinc/14/79/24/206147924.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 3 0 329.532 3.491 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000162144545 206387248 /nfs/dbraw/zinc/38/72/48/206387248.db2.gz QAVGDYOZBSXUEW-WFXMLNOXSA-N 2 0 329.532 3.278 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000342737968 284615416 /nfs/dbraw/zinc/61/54/16/284615416.db2.gz MLCIBQVRYFQZDD-UHFFFAOYSA-N 2 0 333.520 3.188 20 0 EGADRP CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415078069 309118756 /nfs/dbraw/zinc/11/87/56/309118756.db2.gz ICBGCENWQBWTDW-AWEZNQCLSA-N 2 0 325.294 3.359 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000267156622 250784340 /nfs/dbraw/zinc/78/43/40/250784340.db2.gz OPCYLDIHORGMHR-FQEVSTJZSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000267196371 250821719 /nfs/dbraw/zinc/82/17/19/250821719.db2.gz NMYZSULZFMCUNA-UHFFFAOYSA-N 2 0 327.472 3.480 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000174350323 207015259 /nfs/dbraw/zinc/01/52/59/207015259.db2.gz BERBASCDWGTUKK-QGZVFWFLSA-N 2 0 326.488 3.082 20 0 EGADRP COc1cccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000177226747 207310327 /nfs/dbraw/zinc/31/03/27/207310327.db2.gz RKVCMRQDLCGXQG-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000177294004 207317288 /nfs/dbraw/zinc/31/72/88/207317288.db2.gz NVCNCUWXBQXPAI-ZWKOTPCHSA-N 2 0 325.500 3.374 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccs1 ZINC000177602569 207360546 /nfs/dbraw/zinc/36/05/46/207360546.db2.gz MBDKUPXHQMKDEB-DOTOQJQBSA-N 2 0 349.544 3.122 20 0 EGADRP COCCC[C@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000268763304 252212634 /nfs/dbraw/zinc/21/26/34/252212634.db2.gz OXNFTMWDGTUWRB-FQEVSTJZSA-N 2 0 347.547 3.302 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256707 /nfs/dbraw/zinc/25/67/07/252256707.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 2 0 329.532 3.361 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000268818090 252269402 /nfs/dbraw/zinc/26/94/02/252269402.db2.gz NBNGTRAQZPNUNX-SQGPQFPESA-N 2 0 334.504 3.058 20 0 EGADRP Brc1cccc(NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000352970158 532968693 /nfs/dbraw/zinc/96/86/93/532968693.db2.gz UNBZYJYAYNZJFA-JKSUJKDBSA-N 2 0 338.293 3.077 20 0 EGADRP CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178742397 207526054 /nfs/dbraw/zinc/52/60/54/207526054.db2.gz ITISXODOJQTJQR-QGZVFWFLSA-N 2 0 335.517 3.082 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268870836 252319163 /nfs/dbraw/zinc/31/91/63/252319163.db2.gz HNYMHVPMZLGDSV-KRWDZBQOSA-N 2 0 344.503 3.263 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000106363786 285097661 /nfs/dbraw/zinc/09/76/61/285097661.db2.gz QGZSFEQFZAKWKV-LJQANCHMSA-N 2 0 331.504 3.083 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CCCCCC[NH3+])c1ccsc1 ZINC000269251555 255553330 /nfs/dbraw/zinc/55/33/30/255553330.db2.gz YNEFTLFDYUOVNC-MRXNPFEDSA-N 2 0 325.522 3.156 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000338043606 141079472 /nfs/dbraw/zinc/07/94/72/141079472.db2.gz JMYLYYYJIABOLP-HLIPFELVSA-N 2 0 343.515 3.226 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347935596 141220413 /nfs/dbraw/zinc/22/04/13/141220413.db2.gz PXQVSKZWGQLODS-SJLPKXTDSA-N 2 0 344.499 3.243 20 0 EGADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1OC(F)F ZINC000353437826 141295433 /nfs/dbraw/zinc/29/54/33/141295433.db2.gz FHKBJYDEOGTQJS-UHFFFAOYSA-N 2 0 328.403 3.259 20 0 EGADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000353461077 141301352 /nfs/dbraw/zinc/30/13/52/141301352.db2.gz ABLUGOWWWUKVEH-PMACEKPBSA-N 2 0 343.515 3.491 20 0 EGADRP CCOC(=O)c1coc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000354636341 141317938 /nfs/dbraw/zinc/31/79/38/141317938.db2.gz SGNYHBLJXSGWSD-LSDHHAIUSA-N 2 0 334.460 3.199 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1)C1CC1 ZINC000356263294 141331568 /nfs/dbraw/zinc/33/15/68/141331568.db2.gz ACNZFMKVMFGCAW-OXJNMPFZSA-N 2 0 343.515 3.226 20 0 EGADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178714804 144075527 /nfs/dbraw/zinc/07/55/27/144075527.db2.gz CZLFXDYLKAPAIW-HUUCEWRRSA-N 2 0 330.476 3.081 20 0 EGADRP CCCc1cccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000187344078 144157215 /nfs/dbraw/zinc/15/72/15/144157215.db2.gz WVQOISRROWLHSG-UHFFFAOYSA-N 2 0 327.472 3.264 20 0 EGADRP C[C@H](CCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000351495402 144269553 /nfs/dbraw/zinc/26/95/53/144269553.db2.gz TWPUCQDHHRTAFF-YRXWBPOGSA-N 2 0 345.531 3.275 20 0 EGADRP CO[C@H](C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000338545307 285998171 /nfs/dbraw/zinc/99/81/71/285998171.db2.gz AFBTYYXXELNCQE-BBTUJRGHSA-N 2 0 346.515 3.195 20 0 EGADRP CC(C)N(C)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000191406273 153194708 /nfs/dbraw/zinc/19/47/08/153194708.db2.gz IYCBPIOSLQNDIH-UHFFFAOYSA-N 2 0 332.536 3.480 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000194875638 153362045 /nfs/dbraw/zinc/36/20/45/153362045.db2.gz VYABDMWGRWWXCF-IBGZPJMESA-N 2 0 343.515 3.030 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000195135595 153383041 /nfs/dbraw/zinc/38/30/41/153383041.db2.gz KDENHHGLPDEEFY-MHTWAQMVSA-N 2 0 340.511 3.446 20 0 EGADRP COc1ccc([C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)cc1 ZINC000371402376 286376191 /nfs/dbraw/zinc/37/61/91/286376191.db2.gz WTEMTEKWHACAPV-WIYYLYMNSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414851332 309105467 /nfs/dbraw/zinc/10/54/67/309105467.db2.gz JASBLFJHPHFTRV-DOTOQJQBSA-N 2 0 335.923 3.282 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000303195496 154038108 /nfs/dbraw/zinc/03/81/08/154038108.db2.gz GHZVPYOVBOFYNU-FQEVSTJZSA-N 2 0 343.515 3.156 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000337404739 154337029 /nfs/dbraw/zinc/33/70/29/154337029.db2.gz SWHWFUWKFPVHQQ-MRXNPFEDSA-N 2 0 334.504 3.406 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000337509564 154389118 /nfs/dbraw/zinc/38/91/18/154389118.db2.gz HYKIIXRMOQQFPS-QGZVFWFLSA-N 2 0 342.487 3.154 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000339990130 155062820 /nfs/dbraw/zinc/06/28/20/155062820.db2.gz XLHWKWNYJFNALL-MOPGFXCFSA-N 2 0 345.531 3.123 20 0 EGADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc(Cl)c1OC ZINC000347024736 156255830 /nfs/dbraw/zinc/25/58/30/156255830.db2.gz RIXFCXZFPRSSTH-INIZCTEOSA-N 2 0 338.879 3.321 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[NH+](C)C ZINC000348943299 156297395 /nfs/dbraw/zinc/29/73/95/156297395.db2.gz XCZBFVPZQHKLPI-HXUWFJFHSA-N 2 0 345.531 3.121 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349002343 156312958 /nfs/dbraw/zinc/31/29/58/156312958.db2.gz PEEJSIRWHGZGDX-XWTMOSNGSA-N 2 0 337.552 3.265 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000349117073 156358961 /nfs/dbraw/zinc/35/89/61/156358961.db2.gz JJYFXEQOVBJBGL-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354507316 156554561 /nfs/dbraw/zinc/55/45/61/156554561.db2.gz VRLRSQPFBDBDTK-MRXNPFEDSA-N 2 0 331.504 3.411 20 0 EGADRP C[C@@H](C[NH2+][C@@H](c1ccccc1F)C1CCCC1)N1CC[NH+](C)CC1 ZINC000091333410 286876977 /nfs/dbraw/zinc/87/69/77/286876977.db2.gz FYBRARYVHQWUGB-OXJNMPFZSA-N 2 0 333.495 3.283 20 0 EGADRP CN(c1ccccc1C[N@H+](C)CC1CCOCC1)C1CC[NH+](C)CC1 ZINC000093314776 162002005 /nfs/dbraw/zinc/00/20/05/162002005.db2.gz YIIGYBLVDBCWFF-UHFFFAOYSA-N 2 0 345.531 3.075 20 0 EGADRP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093735075 162025966 /nfs/dbraw/zinc/02/59/66/162025966.db2.gz FMNITUYEQLVSRF-VQIMIIECSA-N 2 0 332.488 3.480 20 0 EGADRP Cc1ncccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093844425 162030572 /nfs/dbraw/zinc/03/05/72/162030572.db2.gz AMNWZZHHFYCISU-IAGOWNOFSA-N 2 0 331.504 3.101 20 0 EGADRP C[N@H+](CCc1cccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1)C1CC1 ZINC000128676641 162330791 /nfs/dbraw/zinc/33/07/91/162330791.db2.gz WCDZKEBZPPTADK-HXUWFJFHSA-N 2 0 341.499 3.136 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327936 163211388 /nfs/dbraw/zinc/21/13/88/163211388.db2.gz PJEOKHDDNKWWDR-VQTJNVASSA-N 2 0 329.532 3.361 20 0 EGADRP C(=C\c1ccccc1)\C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000338715822 163328660 /nfs/dbraw/zinc/32/86/60/163328660.db2.gz IMHFTNOHFHSTLB-GHXNOFRVSA-N 2 0 335.495 3.107 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000338911255 163382066 /nfs/dbraw/zinc/38/20/66/163382066.db2.gz FVBGFBKMXZJTOL-UHFFFAOYSA-N 2 0 345.531 3.312 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000354375318 166012534 /nfs/dbraw/zinc/01/25/34/166012534.db2.gz HMQVXXFEEKRGNW-LJQANCHMSA-N 2 0 333.520 3.305 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000343498566 163972871 /nfs/dbraw/zinc/97/28/71/163972871.db2.gz SAXWMWPEUBAGIT-VAMGGRTRSA-N 2 0 345.531 3.099 20 0 EGADRP CC(C)(C)[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000343685423 164011717 /nfs/dbraw/zinc/01/17/17/164011717.db2.gz HWCGVMVVWUCDNH-LJQANCHMSA-N 2 0 330.516 3.382 20 0 EGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000343817067 164042024 /nfs/dbraw/zinc/04/20/24/164042024.db2.gz UTHAPBRDVFMDAZ-GJZGRUSLSA-N 2 0 340.895 3.328 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CC2 ZINC000343970035 164074446 /nfs/dbraw/zinc/07/44/46/164074446.db2.gz BYBUQBRORZQXGJ-LJQANCHMSA-N 2 0 325.456 3.108 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)[NH+]1CCCCC1 ZINC000354811366 166038120 /nfs/dbraw/zinc/03/81/20/166038120.db2.gz MJTUXCHMLZXOBE-YSTOQKLRSA-N 2 0 349.563 3.361 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1OC ZINC000344073376 164096972 /nfs/dbraw/zinc/09/69/72/164096972.db2.gz VNXMEWSOHKPXFO-XDNAFOTISA-N 2 0 326.525 3.059 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000344093307 164101479 /nfs/dbraw/zinc/10/14/79/164101479.db2.gz FHBFFZYBLMEIDQ-WOJBJXKFSA-N 2 0 333.495 3.065 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344144760 164113980 /nfs/dbraw/zinc/11/39/80/164113980.db2.gz VYJWVZYWPIUMIG-FQEVSTJZSA-N 2 0 333.495 3.210 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC000344263097 164140968 /nfs/dbraw/zinc/14/09/68/164140968.db2.gz HXDLSNNJCMPVLD-RTBURBONSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095968971 287058452 /nfs/dbraw/zinc/05/84/52/287058452.db2.gz DRHOZISCJCUKSI-ZMYBRWDISA-N 2 0 344.503 3.494 20 0 EGADRP Cn1cnc2cc(C[N@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000350228006 165020872 /nfs/dbraw/zinc/02/08/72/165020872.db2.gz TZJVNNGGZKKTDN-UHFFFAOYSA-N 2 0 349.482 3.317 20 0 EGADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000350918681 165082614 /nfs/dbraw/zinc/08/26/14/165082614.db2.gz NBVGOHUEUXXZBZ-CQSZACIVSA-N 2 0 335.517 3.009 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000352178598 165270301 /nfs/dbraw/zinc/27/03/01/165270301.db2.gz OXXNXIXPQPXCCC-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000355049021 166093691 /nfs/dbraw/zinc/09/36/91/166093691.db2.gz LRLXFSPUTWKKLP-LJQANCHMSA-N 2 0 333.520 3.052 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 ZINC000352403978 165383531 /nfs/dbraw/zinc/38/35/31/165383531.db2.gz ZXWCQDFIBCDRLO-KRWDZBQOSA-N 2 0 342.487 3.463 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358918032 167005756 /nfs/dbraw/zinc/00/57/56/167005756.db2.gz VUIJGRYBRDMENB-IBGZPJMESA-N 2 0 326.488 3.428 20 0 EGADRP CC1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000359144582 167080075 /nfs/dbraw/zinc/08/00/75/167080075.db2.gz TVIICIDTBUIIHD-FPOVZHCZSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359191858 167091904 /nfs/dbraw/zinc/09/19/04/167091904.db2.gz OMWYKZXLFFXHRB-RXVVDRJESA-N 2 0 329.532 3.361 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1)Nc1ccccc1 ZINC000359195578 167092249 /nfs/dbraw/zinc/09/22/49/167092249.db2.gz UDCCSMOHNGEAHH-LJQANCHMSA-N 2 0 344.503 3.052 20 0 EGADRP COCC[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1Cl ZINC000359209761 167095995 /nfs/dbraw/zinc/09/59/95/167095995.db2.gz LFGZZXGMNWAWHT-UHFFFAOYSA-N 2 0 328.859 3.317 20 0 EGADRP CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000359208745 167096216 /nfs/dbraw/zinc/09/62/16/167096216.db2.gz ADKUGLAQOZSLKH-IBGZPJMESA-N 2 0 331.504 3.131 20 0 EGADRP CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000359208746 167096244 /nfs/dbraw/zinc/09/62/44/167096244.db2.gz ADKUGLAQOZSLKH-LJQANCHMSA-N 2 0 331.504 3.131 20 0 EGADRP Clc1ccc(CN2CCC[N@H+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359226278 167100969 /nfs/dbraw/zinc/10/09/69/167100969.db2.gz UROXORIHJTWQDC-UHFFFAOYSA-N 2 0 335.923 3.237 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000359252174 167106367 /nfs/dbraw/zinc/10/63/67/167106367.db2.gz NZCZLPRVZQYWQL-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000360587949 167364128 /nfs/dbraw/zinc/36/41/28/167364128.db2.gz FXERJOXERPRTHP-XLIONFOSSA-N 2 0 334.504 3.058 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C)C3)cc2)CC1 ZINC000360720164 167396261 /nfs/dbraw/zinc/39/62/61/167396261.db2.gz XOVWLMHFMBMOIJ-GHTZIAJQSA-N 2 0 329.532 3.492 20 0 EGADRP COC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000367490802 168233662 /nfs/dbraw/zinc/23/36/62/168233662.db2.gz PNOPKVBXKOTKBO-XEZPLFJOSA-N 2 0 326.843 3.383 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1OC(F)F ZINC000367703056 168260197 /nfs/dbraw/zinc/26/01/97/168260197.db2.gz MTEDTAUNUPVAHP-CYBMUJFWSA-N 2 0 337.370 3.020 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000174026898 265019447 /nfs/dbraw/zinc/01/94/47/265019447.db2.gz SMZLBFHBAQATQW-UHFFFAOYSA-N 2 0 327.513 3.144 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000174029913 265019754 /nfs/dbraw/zinc/01/97/54/265019754.db2.gz KEDZVSYVCCMJSK-UHFFFAOYSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCOc2cccc(Br)c2)CN1C1CC1 ZINC000177927408 265287881 /nfs/dbraw/zinc/28/78/81/265287881.db2.gz NPCNSSNMAAMYAS-JSGCOSHPSA-N 2 0 339.277 3.043 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCn1ccnc1C ZINC000179492012 265379668 /nfs/dbraw/zinc/37/96/68/265379668.db2.gz LHXXKVHNGDCKPW-OAHLLOKOSA-N 2 0 328.460 3.103 20 0 EGADRP CC1(C)CC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC(C)(C)[NH2+]1 ZINC000180157308 265397357 /nfs/dbraw/zinc/39/73/57/265397357.db2.gz UVPASOZNPUOEFH-UHFFFAOYSA-N 2 0 335.458 3.302 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000189840628 265799752 /nfs/dbraw/zinc/79/97/52/265799752.db2.gz ASYICQZYAONZSP-WMZOPIPTSA-N 2 0 349.494 3.187 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000229067093 266203062 /nfs/dbraw/zinc/20/30/62/266203062.db2.gz YCKPZZOGLXHJKF-HOTGVXAUSA-N 2 0 327.513 3.001 20 0 EGADRP COc1c(C)cnc(CN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1C ZINC000269650255 266333259 /nfs/dbraw/zinc/33/32/59/266333259.db2.gz IFEDLLUBSDKBGD-GOSISDBHSA-N 2 0 345.487 3.072 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000270502627 266519998 /nfs/dbraw/zinc/51/99/98/266519998.db2.gz NZJNULSDAGDAOC-HBMCJLEFSA-N 2 0 340.511 3.446 20 0 EGADRP Cc1ccccc1CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270886662 266571104 /nfs/dbraw/zinc/57/11/04/266571104.db2.gz KTNUXAMJUACYQF-UHFFFAOYSA-N 2 0 343.559 3.418 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275657551 267401766 /nfs/dbraw/zinc/40/17/66/267401766.db2.gz FPTFQMLYIXZONM-NRSPTQNISA-N 2 0 329.532 3.112 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc(OC)c1OC ZINC000278449494 268015815 /nfs/dbraw/zinc/01/58/15/268015815.db2.gz LHXCXXAFMQWMIS-AWEZNQCLSA-N 2 0 348.487 3.237 20 0 EGADRP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000278485638 268024359 /nfs/dbraw/zinc/02/43/59/268024359.db2.gz BAMZWUSRXSLSIF-BVOGOJNSSA-N 2 0 330.516 3.285 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000246361164 275053250 /nfs/dbraw/zinc/05/32/50/275053250.db2.gz ILPCMPRCHHQWNY-XUVXKRRUSA-N 2 0 332.463 3.171 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000181418343 275058436 /nfs/dbraw/zinc/05/84/36/275058436.db2.gz ILPCMPRCHHQWNY-AABGKKOBSA-N 2 0 332.463 3.171 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)o3)cc2)CC1 ZINC000061069990 275150314 /nfs/dbraw/zinc/15/03/14/275150314.db2.gz XRHDYEFLGQMJBC-UHFFFAOYSA-N 2 0 327.472 3.015 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181358405 275206374 /nfs/dbraw/zinc/20/63/74/275206374.db2.gz RFZNMQLXMFNLDS-DVOMOZLQSA-N 2 0 340.309 3.179 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188614568 275218709 /nfs/dbraw/zinc/21/87/09/275218709.db2.gz WVRDSVGQTFQZJT-BBRMVZONSA-N 2 0 336.442 3.323 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000284216168 275783021 /nfs/dbraw/zinc/78/30/21/275783021.db2.gz SYOJPPQXAPWURD-KRWDZBQOSA-N 2 0 347.503 3.217 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000286534577 276013330 /nfs/dbraw/zinc/01/33/30/276013330.db2.gz NYANCDKSSQHWNI-OALUTQOASA-N 2 0 328.456 3.290 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000344849915 276105759 /nfs/dbraw/zinc/10/57/59/276105759.db2.gz WCZIZBMSFREZOX-PKOBYXMFSA-N 2 0 343.519 3.336 20 0 EGADRP C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000287680707 276146855 /nfs/dbraw/zinc/14/68/55/276146855.db2.gz WFKXUXRXYRZJCS-FYZZASKESA-N 2 0 330.516 3.428 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289117814 276293282 /nfs/dbraw/zinc/29/32/82/276293282.db2.gz DDMYUBLOSJQXJD-HXUWFJFHSA-N 2 0 340.515 3.161 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCN1CC[NH+](C)CC1 ZINC000289337938 276324128 /nfs/dbraw/zinc/32/41/28/276324128.db2.gz WPFQECALSWUIGU-FQEVSTJZSA-N 2 0 340.515 3.081 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1nccc2ccccc21 ZINC000289544888 276355886 /nfs/dbraw/zinc/35/58/86/276355886.db2.gz BUJLPBQAQHUFAO-WMZOPIPTSA-N 2 0 327.472 3.122 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(COCCOC)cc1 ZINC000289604729 276365115 /nfs/dbraw/zinc/36/51/15/276365115.db2.gz DQRSJAXVYWNPPV-GOSISDBHSA-N 2 0 336.520 3.450 20 0 EGADRP CC(C)Sc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162534868 277711913 /nfs/dbraw/zinc/71/19/13/277711913.db2.gz HSTRXCBTIKPZTR-KRWDZBQOSA-N 2 0 335.561 3.475 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000263219950 278126287 /nfs/dbraw/zinc/12/62/87/278126287.db2.gz LSEHSKLVRNLBOJ-AZUAARDMSA-N 2 0 335.536 3.009 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089142459 278219800 /nfs/dbraw/zinc/21/98/00/278219800.db2.gz SFPZHISVELAIPQ-XPKDYRNWSA-N 2 0 325.294 3.487 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000152400985 278351376 /nfs/dbraw/zinc/35/13/76/278351376.db2.gz PUZDCDYNGHPYMZ-KGLIPLIRSA-N 2 0 327.472 3.051 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)C1CC1 ZINC000249717463 279055374 /nfs/dbraw/zinc/05/53/74/279055374.db2.gz JRJBJVZMSCRFOL-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)cc1)C(C)C ZINC000177215906 279235739 /nfs/dbraw/zinc/23/57/39/279235739.db2.gz FDJAJFDRDQFBBN-QFBILLFUSA-N 2 0 343.515 3.272 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000154454430 279356821 /nfs/dbraw/zinc/35/68/21/279356821.db2.gz TZSLFAOKQXFVER-HXUWFJFHSA-N 2 0 332.536 3.176 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[NH+]1CCCCC1 ZINC000354281165 279788063 /nfs/dbraw/zinc/78/80/63/279788063.db2.gz JJOPMEJXAZAWTF-OALUTQOASA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccsc2S1 ZINC000095420057 280008289 /nfs/dbraw/zinc/00/82/89/280008289.db2.gz CPHQHLMJOAXUSG-BBRMVZONSA-N 2 0 339.574 3.289 20 0 EGADRP O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262200089 280302902 /nfs/dbraw/zinc/30/29/02/280302902.db2.gz KHLQHSYLFUNTKI-SFHVURJKSA-N 2 0 347.890 3.087 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000237871945 295304117 /nfs/dbraw/zinc/30/41/17/295304117.db2.gz RYABBJNZSWFCNN-WOJBJXKFSA-N 2 0 343.515 3.196 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000091334711 295405386 /nfs/dbraw/zinc/40/53/86/295405386.db2.gz RZNZNTJSIAZCPD-LAUBAEHRSA-N 2 0 345.531 3.152 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000122296560 307528248 /nfs/dbraw/zinc/52/82/48/307528248.db2.gz GWAZSPRSCCPEIR-HXUWFJFHSA-N 2 0 346.515 3.318 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cc2n(n1)CCC2 ZINC000414064309 309058552 /nfs/dbraw/zinc/05/85/52/309058552.db2.gz DSHMCDSJISJGTK-OAHLLOKOSA-N 2 0 344.528 3.454 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414067234 309058782 /nfs/dbraw/zinc/05/87/82/309058782.db2.gz ADYPIDXELHTWPY-WMZOPIPTSA-N 2 0 336.907 3.413 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000129817625 307619912 /nfs/dbraw/zinc/61/99/12/307619912.db2.gz FUMANTWJHHWVTH-QGZVFWFLSA-N 2 0 334.504 3.363 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCC[NH2+]1 ZINC000134583971 307690380 /nfs/dbraw/zinc/69/03/80/307690380.db2.gz PLVJSZXCQFHLPO-NRFANRHFSA-N 2 0 343.515 3.211 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000414198754 309066436 /nfs/dbraw/zinc/06/64/36/309066436.db2.gz WJUAUMZMCBBWCI-NWDGAFQWSA-N 2 0 344.272 3.366 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000151874264 307740873 /nfs/dbraw/zinc/74/08/73/307740873.db2.gz CIQCWDUDFVINMC-LBPRGKRZSA-N 2 0 331.287 3.348 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414191427 309065860 /nfs/dbraw/zinc/06/58/60/309065860.db2.gz SMAFELWXZIKQMB-CVEARBPZSA-N 2 0 344.503 3.353 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccoc2C)CC1 ZINC000414314652 309072395 /nfs/dbraw/zinc/07/23/95/309072395.db2.gz QKNQSYDIQJHLKT-UHFFFAOYSA-N 2 0 327.472 3.015 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000171131635 307941906 /nfs/dbraw/zinc/94/19/06/307941906.db2.gz LCDVOZGSDOGHHV-HNNXBMFYSA-N 2 0 346.496 3.003 20 0 EGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]C2CCCC2)CC1 ZINC000237232367 307944523 /nfs/dbraw/zinc/94/45/23/307944523.db2.gz KELLFEFLMNLRNO-UHFFFAOYSA-N 2 0 341.421 3.489 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248413721 308002861 /nfs/dbraw/zinc/00/28/61/308002861.db2.gz LODQXZZRJBYSAF-BLCKVISQSA-N 2 0 341.543 3.215 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000249117354 308019320 /nfs/dbraw/zinc/01/93/20/308019320.db2.gz OIBNLZUKTHQWRH-NJYVYQBISA-N 2 0 330.516 3.224 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000263243693 308065137 /nfs/dbraw/zinc/06/51/37/308065137.db2.gz HDNDKRHZPSWDJL-XLIONFOSSA-N 2 0 345.531 3.169 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292881124 308075737 /nfs/dbraw/zinc/07/57/37/308075737.db2.gz DYAOCFKNHXNMAB-KBXCAEBGSA-N 2 0 335.879 3.085 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414457148 309081416 /nfs/dbraw/zinc/08/14/16/309081416.db2.gz FPCZVDHSNSVDQS-MRXNPFEDSA-N 2 0 330.451 3.141 20 0 EGADRP C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259968 308114658 /nfs/dbraw/zinc/11/46/58/308114658.db2.gz GBQCPJUMCYFIOY-IRXDYDNUSA-N 2 0 331.504 3.304 20 0 EGADRP CSCc1cnc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000293311544 308119167 /nfs/dbraw/zinc/11/91/67/308119167.db2.gz QHCGTMGHRBISJU-UHFFFAOYSA-N 2 0 348.541 3.407 20 0 EGADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000293566187 308142562 /nfs/dbraw/zinc/14/25/62/308142562.db2.gz XTPROPQKUFASHD-GUXCAODWSA-N 2 0 332.463 3.367 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000293704829 308154473 /nfs/dbraw/zinc/15/44/73/308154473.db2.gz MIPQXWABKPROQC-GJZGRUSLSA-N 2 0 338.879 3.116 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000293977281 308179786 /nfs/dbraw/zinc/17/97/86/308179786.db2.gz RHDPVLBPBZFFON-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294276621 308206029 /nfs/dbraw/zinc/20/60/29/308206029.db2.gz SHVORKPTHWKONR-MGPUTAFESA-N 2 0 343.446 3.291 20 0 EGADRP C[C@H](O)C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294358705 308213778 /nfs/dbraw/zinc/21/37/78/308213778.db2.gz ZVDPAVMRYFJDPD-PKOBYXMFSA-N 2 0 339.483 3.195 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000294461782 308223035 /nfs/dbraw/zinc/22/30/35/308223035.db2.gz YWWKFPOXDAGWJU-MRXNPFEDSA-N 2 0 328.456 3.053 20 0 EGADRP CSCC1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000294965329 308276834 /nfs/dbraw/zinc/27/68/34/308276834.db2.gz FCBFFURHDPTZDK-RRWXTXHCSA-N 2 0 348.556 3.265 20 0 EGADRP CCC[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000295082685 308289353 /nfs/dbraw/zinc/28/93/53/308289353.db2.gz IKWADRPIQIUMAP-LJQANCHMSA-N 2 0 333.520 3.122 20 0 EGADRP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+](Cc2ccccc2)C1 ZINC000295122715 308294302 /nfs/dbraw/zinc/29/43/02/308294302.db2.gz XOYHLPMYRWHWFH-PVCSLBTHSA-N 2 0 327.516 3.112 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000295209096 308303093 /nfs/dbraw/zinc/30/30/93/308303093.db2.gz PVNZUZRLUOVUIP-FXAWDEMLSA-N 2 0 339.483 3.022 20 0 EGADRP CCOC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[nH]c1C ZINC000295563122 308338974 /nfs/dbraw/zinc/33/89/74/308338974.db2.gz ZFWTYVIANVLVGP-GDBMZVCRSA-N 2 0 347.503 3.242 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccsc1 ZINC000295867190 308368983 /nfs/dbraw/zinc/36/89/83/308368983.db2.gz GWKFSLOEDHLSNV-KRWDZBQOSA-N 2 0 330.501 3.136 20 0 EGADRP C[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000295960903 308379135 /nfs/dbraw/zinc/37/91/35/308379135.db2.gz HVTZMXOPBNUUNE-HNNXBMFYSA-N 2 0 339.474 3.026 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OCc1ccccc1 ZINC000414658868 309094228 /nfs/dbraw/zinc/09/42/28/309094228.db2.gz KGJMXFZOCJQQBU-VQIMIIECSA-N 2 0 340.467 3.443 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC(C)C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695727 309095799 /nfs/dbraw/zinc/09/57/99/309095799.db2.gz OPSGYTJEIFDPBR-UYAOXDASSA-N 2 0 345.531 3.293 20 0 EGADRP CN(C)C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000297453085 308535294 /nfs/dbraw/zinc/53/52/94/308535294.db2.gz PJOUQNXMEJVCJC-HXUWFJFHSA-N 2 0 342.462 3.082 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000414767533 309099554 /nfs/dbraw/zinc/09/95/54/309099554.db2.gz GKUJAGFQRTVAJU-QUCCMNQESA-N 2 0 326.440 3.275 20 0 EGADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297611640 308550028 /nfs/dbraw/zinc/55/00/28/308550028.db2.gz KQJLGERITNZHGY-OXQOHEQNSA-N 2 0 325.456 3.152 20 0 EGADRP C[C@@H](O)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000414768322 309099660 /nfs/dbraw/zinc/09/96/60/309099660.db2.gz USBJQHPDLCULQZ-KYHPRHEASA-N 2 0 338.923 3.342 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298260540 308598306 /nfs/dbraw/zinc/59/83/06/308598306.db2.gz FNKXRJWEPJUXAB-UHFFFAOYSA-N 3 0 330.520 3.152 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000414834780 309104599 /nfs/dbraw/zinc/10/45/99/309104599.db2.gz HRZNDNBECNJVHS-KRWDZBQOSA-N 2 0 334.467 3.484 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414837490 309104670 /nfs/dbraw/zinc/10/46/70/309104670.db2.gz KFYXLMRBNFMZNU-SECBINFHSA-N 2 0 339.199 3.413 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000414841440 309105034 /nfs/dbraw/zinc/10/50/34/309105034.db2.gz OHSHIPBSZVMMMX-HNNXBMFYSA-N 2 0 328.456 3.316 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000414844906 309105221 /nfs/dbraw/zinc/10/52/21/309105221.db2.gz DFVNAMUMKVXSBK-HOTGVXAUSA-N 2 0 335.923 3.282 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414846846 309105334 /nfs/dbraw/zinc/10/53/34/309105334.db2.gz FEKHWJKRLZBXRI-ZNMIVQPWSA-N 2 0 337.895 3.343 20 0 EGADRP CCC[NH+](CCC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000411164566 308929183 /nfs/dbraw/zinc/92/91/83/308929183.db2.gz HZZFWPCUUIZVRK-GOSISDBHSA-N 2 0 345.531 3.278 20 0 EGADRP CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000413355522 309028447 /nfs/dbraw/zinc/02/84/47/309028447.db2.gz FDOHZUUWFGKLRJ-MRXNPFEDSA-N 2 0 325.541 3.265 20 0 EGADRP c1c(C[NH2+]CC[C@H]2CCC[NH2+]2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000414898956 309108277 /nfs/dbraw/zinc/10/82/77/309108277.db2.gz BGAYTRJJTPMASB-LJQANCHMSA-N 2 0 347.466 3.166 20 0 EGADRP C[C@H](CN)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414934073 309109963 /nfs/dbraw/zinc/10/99/63/309109963.db2.gz UYAODQRCILVSGF-RKDXNWHRSA-N 2 0 337.773 3.013 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000414951833 309111015 /nfs/dbraw/zinc/11/10/15/309111015.db2.gz HLDZOSYLWFJFAI-NQSCKRDGSA-N 2 0 335.495 3.299 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)cc2)cs1 ZINC000414955396 309111234 /nfs/dbraw/zinc/11/12/34/309111234.db2.gz UGFSTICVZJVRDX-BBRMVZONSA-N 2 0 331.485 3.261 20 0 EGADRP COC[C@@]1(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000414961516 309111718 /nfs/dbraw/zinc/11/17/18/309111718.db2.gz VKVMOSOXALEHFB-BBRMVZONSA-N 2 0 330.394 3.167 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[NH2+]CC1 ZINC000414969622 309112207 /nfs/dbraw/zinc/11/22/07/309112207.db2.gz GXMCLIDGJXYZIH-UHFFFAOYSA-N 2 0 348.821 3.047 20 0 EGADRP Fc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000414983334 309112725 /nfs/dbraw/zinc/11/27/25/309112725.db2.gz ZMNDTVNAUPSCGL-ZDUSSCGKSA-N 2 0 334.357 3.389 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000414996615 309113253 /nfs/dbraw/zinc/11/32/53/309113253.db2.gz GNIMSBDRUZTZQT-SDZDHKAXSA-N 2 0 345.506 3.029 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415001730 309113608 /nfs/dbraw/zinc/11/36/08/309113608.db2.gz LIBHWQYAHDCCKV-OFQRWUPVSA-N 2 0 337.895 3.473 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000415002419 309113657 /nfs/dbraw/zinc/11/36/57/309113657.db2.gz MHIGCZAKZPDSEV-FXAWDEMLSA-N 2 0 328.431 3.317 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000415015599 309114397 /nfs/dbraw/zinc/11/43/97/309114397.db2.gz OJSMWIMTUKODDQ-LBPRGKRZSA-N 2 0 333.457 3.146 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000415027716 309115197 /nfs/dbraw/zinc/11/51/97/309115197.db2.gz XHAXMANYEBRRRY-ZDUSSCGKSA-N 2 0 340.393 3.167 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415034961 309115670 /nfs/dbraw/zinc/11/56/70/309115670.db2.gz INTLRROYPWKNMD-CABCVRRESA-N 2 0 331.287 3.283 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000415043415 309116157 /nfs/dbraw/zinc/11/61/57/309116157.db2.gz RWMYWRMIKYIUHX-KGLIPLIRSA-N 2 0 338.377 3.108 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000415045913 309116370 /nfs/dbraw/zinc/11/63/70/309116370.db2.gz UPZCDAHNIXEUSY-MWLCHTKSSA-N 2 0 349.219 3.268 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415049295 309116478 /nfs/dbraw/zinc/11/64/78/309116478.db2.gz XTWNEDFYAPUARL-IXDOHACOSA-N 2 0 342.405 3.310 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415050829 309116591 /nfs/dbraw/zinc/11/65/91/309116591.db2.gz YXYUXHVVTJHABG-RDJZCZTQSA-N 2 0 346.906 3.419 20 0 EGADRP Fc1ccc(CN2CCC[C@@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000415075447 309118468 /nfs/dbraw/zinc/11/84/68/309118468.db2.gz BJVYOFNEVLMNGY-RHSMWYFYSA-N 2 0 339.886 3.033 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000415076437 309118547 /nfs/dbraw/zinc/11/85/47/309118547.db2.gz CIFFBFIWOJXAGO-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP CC1CCN([C@H](C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c2cccs2)CC1 ZINC000415079511 309118777 /nfs/dbraw/zinc/11/87/77/309118777.db2.gz HWOZSMGVYJMSSP-FGTMMUONSA-N 2 0 335.561 3.499 20 0 EGADRP COc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000415082217 309119082 /nfs/dbraw/zinc/11/90/82/309119082.db2.gz CTFZFQKJCUOFGZ-HNNXBMFYSA-N 2 0 341.455 3.072 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000415100738 309120486 /nfs/dbraw/zinc/12/04/86/309120486.db2.gz HETMYZHSIKDJBY-FRRDWIJNSA-N 2 0 334.851 3.429 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000415106032 309120773 /nfs/dbraw/zinc/12/07/73/309120773.db2.gz JBWIEKCSLXPBBN-OALUTQOASA-N 2 0 334.529 3.138 20 0 EGADRP c1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccccn1 ZINC000415119118 309121533 /nfs/dbraw/zinc/12/15/33/309121533.db2.gz WWRIVOWLVOGCGB-XHSDSOJGSA-N 2 0 342.512 3.258 20 0 EGADRP CC[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)Oc1ccccc1C(F)(F)F ZINC000415126211 309122208 /nfs/dbraw/zinc/12/22/08/309122208.db2.gz UFJGTCUAJAOJOQ-KBPBESRZSA-N 2 0 330.394 3.452 20 0 EGADRP C[C@H]1CCC[C@H](C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415126776 309122270 /nfs/dbraw/zinc/12/22/70/309122270.db2.gz GVEYKEAQXNRGPJ-ICSRJNTNSA-N 2 0 329.532 3.396 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000415128325 309122300 /nfs/dbraw/zinc/12/23/00/309122300.db2.gz SFRZRCWHRJWSHB-IRXDYDNUSA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C1 ZINC000415127240 309122351 /nfs/dbraw/zinc/12/23/51/309122351.db2.gz QOSGUBDLHFBTMW-NVXWUHKLSA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+]CCCN(c1cccc(F)c1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415129495 309122552 /nfs/dbraw/zinc/12/25/52/309122552.db2.gz ZCIUPVCWTWTUAU-WOJBJXKFSA-N 2 0 327.447 3.474 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000415132709 309122827 /nfs/dbraw/zinc/12/28/27/309122827.db2.gz UJNCCZCZGQBAFK-ROUUACIJSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000415133234 309122839 /nfs/dbraw/zinc/12/28/39/309122839.db2.gz UYVPEZUQESFWJH-SJORKVTESA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+]C1(CNCc2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415135783 309122958 /nfs/dbraw/zinc/12/29/58/309122958.db2.gz QPOWIMXFBJLPFI-UHFFFAOYSA-N 2 0 345.437 3.048 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc2)cs1 ZINC000415134812 309123132 /nfs/dbraw/zinc/12/31/32/309123132.db2.gz WEVNEFAIAJBSLB-WMLDXEAASA-N 2 0 345.512 3.447 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880798 309145705 /nfs/dbraw/zinc/14/57/05/309145705.db2.gz GPGDFDAYFMGZSB-LJQANCHMSA-N 2 0 344.503 3.108 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880797 309145770 /nfs/dbraw/zinc/14/57/70/309145770.db2.gz GPGDFDAYFMGZSB-IBGZPJMESA-N 2 0 344.503 3.108 20 0 EGADRP O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415883656 309145854 /nfs/dbraw/zinc/14/58/54/309145854.db2.gz OHIXWPJUSMWUCU-UHFFFAOYSA-N 2 0 344.503 3.110 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000415921640 309148902 /nfs/dbraw/zinc/14/89/02/309148902.db2.gz RWRPHHWKJDKVIR-MRXNPFEDSA-N 2 0 340.471 3.048 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000415925642 309149199 /nfs/dbraw/zinc/14/91/99/309149199.db2.gz BHOWCTKTKOSXNE-DNVCBOLYSA-N 2 0 340.471 3.219 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000416122621 309159572 /nfs/dbraw/zinc/15/95/72/309159572.db2.gz JWXUCDGEXHDQBQ-SFHVURJKSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417353454 309202663 /nfs/dbraw/zinc/20/26/63/309202663.db2.gz XIQYYXVNKUFDHE-BHYGNILZSA-N 2 0 345.512 3.365 20 0 EGADRP COCCCC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000418128465 309236623 /nfs/dbraw/zinc/23/66/23/309236623.db2.gz BQUVGIWUVCBNPL-UHFFFAOYSA-N 2 0 333.520 3.075 20 0 EGADRP COC1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000419778536 309272026 /nfs/dbraw/zinc/27/20/26/309272026.db2.gz LKZVMUOAOVMNIH-UHFFFAOYSA-N 2 0 345.531 3.264 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)CCC2)c1 ZINC000420316182 309281598 /nfs/dbraw/zinc/28/15/98/309281598.db2.gz LLJIWAPDFGLWBI-SJLPKXTDSA-N 2 0 332.488 3.051 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccc(OC)c(C)c2)cc1 ZINC000420314596 309281618 /nfs/dbraw/zinc/28/16/18/309281618.db2.gz ZCJWYENDXREFOB-SFHVURJKSA-N 2 0 328.456 3.187 20 0 EGADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000420320823 309282134 /nfs/dbraw/zinc/28/21/34/309282134.db2.gz BYXDHWYMZCHGTN-VXGBXAGGSA-N 2 0 333.423 3.292 20 0 EGADRP Fc1ccc(-c2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)on2)cc1 ZINC000420337670 309283132 /nfs/dbraw/zinc/28/31/32/309283132.db2.gz OIVPQFVGLIICDL-SFHVURJKSA-N 2 0 329.419 3.445 20 0 EGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344111 309283400 /nfs/dbraw/zinc/28/34/00/309283400.db2.gz SCUKUYJCTWAGKR-JYJNAYRXSA-N 2 0 347.528 3.057 20 0 EGADRP Cc1sc2[nH]c([C@H](C)[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nc(=O)c2c1C ZINC000420346651 309283706 /nfs/dbraw/zinc/28/37/06/309283706.db2.gz XALNDWIAYWNYFU-FPMFFAJLSA-N 2 0 346.500 3.006 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420386919 309285690 /nfs/dbraw/zinc/28/56/90/309285690.db2.gz VGCFDUJYDWZHRL-SFTDATJTSA-N 2 0 346.515 3.291 20 0 EGADRP COc1ccc(Cl)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420386289 309285706 /nfs/dbraw/zinc/28/57/06/309285706.db2.gz ISOUZRZMFISCAL-MAUKXSAKSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000420392457 309286126 /nfs/dbraw/zinc/28/61/26/309286126.db2.gz PPGYZJARPWMDGP-CTNGQTDRSA-N 2 0 346.515 3.291 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C(C)C)[C@H](C)c2ccsc2)CC1 ZINC000421000341 309306812 /nfs/dbraw/zinc/30/68/12/309306812.db2.gz DCLDVSIVWKDPRE-OAHLLOKOSA-N 2 0 337.533 3.120 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CN(Cc2ccccc2)C1 ZINC000421369606 309320965 /nfs/dbraw/zinc/32/09/65/309320965.db2.gz IHAYBAPDVCDBBC-RCKXYERXSA-N 2 0 329.532 3.359 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421820646 309341526 /nfs/dbraw/zinc/34/15/26/309341526.db2.gz NESHYGDXHHUCCH-CABCVRRESA-N 2 0 341.902 3.026 20 0 EGADRP Cc1c([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1ccc(F)cc1 ZINC000421885878 309345033 /nfs/dbraw/zinc/34/50/33/309345033.db2.gz UVXKHQIOZLKPHH-IGEOTXOUSA-N 2 0 345.466 3.238 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccccc2C)C2CC2)CC[NH2+]CC1 ZINC000422706273 309364065 /nfs/dbraw/zinc/36/40/65/309364065.db2.gz DTARGRBROVPWEZ-QFBILLFUSA-N 2 0 344.499 3.357 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422713385 309364370 /nfs/dbraw/zinc/36/43/70/309364370.db2.gz JORIZGJVZNTIEK-HJNYFJLDSA-N 2 0 343.559 3.451 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422718777 309364590 /nfs/dbraw/zinc/36/45/90/309364590.db2.gz QAXYSIQIXODZME-GXRSIYKFSA-N 3 0 341.543 3.061 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422718249 309364651 /nfs/dbraw/zinc/36/46/51/309364651.db2.gz WUDFYTZQMYYYDY-LPHOPBHVSA-N 2 0 341.430 3.295 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC1CCCC1 ZINC000422717904 309364746 /nfs/dbraw/zinc/36/47/46/309364746.db2.gz WENUFTQFJMXGMF-YJBOKZPZSA-N 2 0 332.488 3.494 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCN(C)c1ccccc1F ZINC000422720062 309364904 /nfs/dbraw/zinc/36/49/04/309364904.db2.gz RZBLFSZYNNVYCF-QFBILLFUSA-N 2 0 329.463 3.200 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422719519 309364997 /nfs/dbraw/zinc/36/49/97/309364997.db2.gz YJJVUEMSIAVUKO-CQSZACIVSA-N 2 0 343.437 3.387 20 0 EGADRP C[C@@H](N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422726592 309365275 /nfs/dbraw/zinc/36/52/75/309365275.db2.gz FLRWSUOUUIYQJZ-XOKHGSTOSA-N 2 0 341.421 3.010 20 0 EGADRP C[C@H]([NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000422725941 309365313 /nfs/dbraw/zinc/36/53/13/309365313.db2.gz CPXQQGURDDTMDR-QRFRQXIXSA-N 2 0 329.532 3.047 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422734890 309365787 /nfs/dbraw/zinc/36/57/87/309365787.db2.gz URIBHFYTMZUZFE-OKZBNKHCSA-N 2 0 336.907 3.364 20 0 EGADRP CC[C@@H](C(=O)Nc1cccc(C[NH2+]C)c1)[N@H+](C)Cc1ccccc1 ZINC000422736500 309365884 /nfs/dbraw/zinc/36/58/84/309365884.db2.gz GICKPPNNYDYSNJ-IBGZPJMESA-N 2 0 325.456 3.255 20 0 EGADRP c1csc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422735784 309365949 /nfs/dbraw/zinc/36/59/49/309365949.db2.gz WPRBDRYBPQJOCA-FJIDUMEYSA-N 2 0 333.545 3.395 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)N(C)C ZINC000422740227 309365991 /nfs/dbraw/zinc/36/59/91/309365991.db2.gz BEGSHGZNADHRLU-LNLFQRSKSA-N 2 0 333.520 3.198 20 0 EGADRP C[C@H]([NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C)C1C[NH2+]C1 ZINC000422743451 309366250 /nfs/dbraw/zinc/36/62/50/309366250.db2.gz RIOOJYOYVJLJAY-HFBDOXOYSA-N 2 0 341.318 3.430 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422751439 309366590 /nfs/dbraw/zinc/36/65/90/309366590.db2.gz COYIKPSDYRSEIR-SJLPKXTDSA-N 2 0 332.488 3.357 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000422781673 309368154 /nfs/dbraw/zinc/36/81/54/309368154.db2.gz MEIQCSCDTDPAHI-SFTDATJTSA-N 3 0 345.531 3.157 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422792478 309368459 /nfs/dbraw/zinc/36/84/59/309368459.db2.gz XCEXKYGMCTZWEK-HNNXBMFYSA-N 2 0 329.444 3.490 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422811984 309369671 /nfs/dbraw/zinc/36/96/71/309369671.db2.gz VPUBMDQSCRGOHP-HRAATJIYSA-N 2 0 348.494 3.349 20 0 EGADRP COCc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422810614 309369829 /nfs/dbraw/zinc/36/98/29/309369829.db2.gz RYMJUZOKIHAHQP-FPOVZHCZSA-N 2 0 338.451 3.179 20 0 EGADRP CCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000422814802 309369877 /nfs/dbraw/zinc/36/98/77/309369877.db2.gz WEAGDESUOUMMRP-PXNSSMCTSA-N 2 0 330.472 3.039 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000422823861 309370284 /nfs/dbraw/zinc/37/02/84/309370284.db2.gz MKQPAOFQQSHFPV-ROUUACIJSA-N 2 0 338.451 3.470 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000422823886 309370361 /nfs/dbraw/zinc/37/03/61/309370361.db2.gz MNKHJUMAJZFDEU-GVDBMIGSSA-N 2 0 330.472 3.203 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000422823887 309370398 /nfs/dbraw/zinc/37/03/98/309370398.db2.gz MNKHJUMAJZFDEU-IXDOHACOSA-N 2 0 330.472 3.203 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829018 309370692 /nfs/dbraw/zinc/37/06/92/309370692.db2.gz UHUMJMXSGQEBKU-CNNODRBYSA-N 2 0 339.527 3.445 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422839171 309371375 /nfs/dbraw/zinc/37/13/75/309371375.db2.gz PSASTFIHGCMKBH-LBPRGKRZSA-N 2 0 326.419 3.362 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422845150 309371681 /nfs/dbraw/zinc/37/16/81/309371681.db2.gz NQQRIOKHHCOKDE-AWEZNQCLSA-N 2 0 329.419 3.295 20 0 EGADRP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422871351 309373143 /nfs/dbraw/zinc/37/31/43/309373143.db2.gz ZXCQVMPGRBVCQB-HSALFYBXSA-N 2 0 332.488 3.112 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422877915 309373482 /nfs/dbraw/zinc/37/34/82/309373482.db2.gz IXBJXHMMIZERDD-FXAWDEMLSA-N 2 0 346.515 3.254 20 0 EGADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422885693 309373961 /nfs/dbraw/zinc/37/39/61/309373961.db2.gz ZERMKQSWIHIYPN-FFZOFVMBSA-N 2 0 348.531 3.341 20 0 EGADRP COc1ccc(OCCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422898501 309375043 /nfs/dbraw/zinc/37/50/43/309375043.db2.gz MGJFSLZJQFKOIJ-OXQOHEQNSA-N 2 0 328.456 3.012 20 0 EGADRP COc1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422903766 309375475 /nfs/dbraw/zinc/37/54/75/309375475.db2.gz WLNQJMMPCVJACW-XUVXKRRUSA-N 2 0 332.488 3.365 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422910921 309375861 /nfs/dbraw/zinc/37/58/61/309375861.db2.gz RWCOGLLCFCYBTG-CGTJXYLNSA-N 2 0 334.529 3.433 20 0 EGADRP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422913959 309376054 /nfs/dbraw/zinc/37/60/54/309376054.db2.gz ZOCHJWOHFYQALP-LQWHRVPQSA-N 2 0 325.500 3.055 20 0 EGADRP c1cc(OC2CCCC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422949848 309377603 /nfs/dbraw/zinc/37/76/03/309377603.db2.gz WUHMCSSTBRIWTG-QHAWAJNXSA-N 2 0 344.499 3.255 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Sc1ccc(Br)cc1 ZINC000422957626 309378199 /nfs/dbraw/zinc/37/81/99/309378199.db2.gz NSEAWZRLXSMKIL-QWRGUYRKSA-N 2 0 329.307 3.127 20 0 EGADRP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1c[nH+]ccc1N ZINC000422958921 309378265 /nfs/dbraw/zinc/37/82/65/309378265.db2.gz ZKXYKRZIUMGZJH-AWEZNQCLSA-N 2 0 328.485 3.216 20 0 EGADRP CC[C@H]([NH2+]CCCc1cn(-c2ccccc2)nc1C)[C@@H]1CCC[NH2+]1 ZINC000422965255 309378694 /nfs/dbraw/zinc/37/86/94/309378694.db2.gz OEQGVAGBXFCGTI-PMACEKPBSA-N 2 0 326.488 3.234 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423002238 309380362 /nfs/dbraw/zinc/38/03/62/309380362.db2.gz JEYKRPNFUYSFQG-JYRKZWEQSA-N 3 0 329.532 3.265 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c2ccccc2n1 ZINC000423009463 309380806 /nfs/dbraw/zinc/38/08/06/309380806.db2.gz VTQQRYLESZUVLC-ZDUSSCGKSA-N 2 0 336.439 3.256 20 0 EGADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423017225 309381191 /nfs/dbraw/zinc/38/11/91/309381191.db2.gz VZGSBUZYQCLADE-HFPIOELMSA-N 2 0 341.503 3.062 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423030168 309381952 /nfs/dbraw/zinc/38/19/52/309381952.db2.gz JJUDPPODIWMWKM-IVTCSKLLSA-N 2 0 339.527 3.160 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2c(C)cccc2C)CC[NH2+]CC1 ZINC000423032467 309382106 /nfs/dbraw/zinc/38/21/06/309382106.db2.gz FKCUSULYDCJURW-IRXDYDNUSA-N 2 0 332.488 3.275 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423036624 309382158 /nfs/dbraw/zinc/38/21/58/309382158.db2.gz ATPHNNBXNDRTAR-XWIAVFTESA-N 2 0 325.447 3.206 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1Cl ZINC000423075301 309384590 /nfs/dbraw/zinc/38/45/90/309384590.db2.gz WNNWIQZTEBZUPG-FRFSOERESA-N 2 0 340.895 3.361 20 0 EGADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000423076745 309384639 /nfs/dbraw/zinc/38/46/39/309384639.db2.gz RXTFXMVQNVQQQZ-XDWAVFMPSA-N 2 0 346.490 3.192 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1OC(F)F ZINC000423076845 309384657 /nfs/dbraw/zinc/38/46/57/309384657.db2.gz ZYARAHDIOISEGL-WMLDXEAASA-N 2 0 334.410 3.379 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000423089083 309385335 /nfs/dbraw/zinc/38/53/35/309385335.db2.gz RPADAEHCHYWSRU-INIZCTEOSA-N 2 0 342.487 3.023 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423094083 309385469 /nfs/dbraw/zinc/38/54/69/309385469.db2.gz JIAHKVFVFMITDQ-LKPRIIMKSA-N 2 0 342.405 3.293 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423094084 309385543 /nfs/dbraw/zinc/38/55/43/309385543.db2.gz JIAHKVFVFMITDQ-MUMJOVGASA-N 2 0 342.405 3.293 20 0 EGADRP Cc1cccc(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423105971 309386077 /nfs/dbraw/zinc/38/60/77/309386077.db2.gz NYNCTCHMSUZNNH-PZJWPPBQSA-N 2 0 337.467 3.168 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423116542 309386781 /nfs/dbraw/zinc/38/67/81/309386781.db2.gz QHGJZDFSWFMPMD-YFVAEKQCSA-N 2 0 342.483 3.181 20 0 EGADRP Brc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423130676 309387487 /nfs/dbraw/zinc/38/74/87/309387487.db2.gz NCKYKFXFDSMLJB-YIONKMFJSA-N 2 0 335.289 3.397 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000423132291 309387583 /nfs/dbraw/zinc/38/75/83/309387583.db2.gz UHJJIRWFPQQTAX-OYSPMZIOSA-N 2 0 336.907 3.316 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423151232 309388503 /nfs/dbraw/zinc/38/85/03/309388503.db2.gz CAWSIEYDDDWOJW-SCLBCKFNSA-N 2 0 336.838 3.406 20 0 EGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423217771 309390898 /nfs/dbraw/zinc/39/08/98/309390898.db2.gz UTANMGWPZMVZHU-WFASDCNBSA-N 2 0 339.277 3.252 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCc2sc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000423221965 309391286 /nfs/dbraw/zinc/39/12/86/309391286.db2.gz YXQZAELOFGZMCH-JBLDHEPKSA-N 2 0 329.307 3.476 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423252355 309392381 /nfs/dbraw/zinc/39/23/81/309392381.db2.gz UAHNKKOMJJCXSZ-UKRRQHHQSA-N 2 0 332.879 3.484 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256228 309392476 /nfs/dbraw/zinc/39/24/76/309392476.db2.gz BNNKRCRLAKIUHQ-JQWIXIFHSA-N 2 0 329.307 3.477 20 0 EGADRP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CCCCC1 ZINC000423264301 309392891 /nfs/dbraw/zinc/39/28/91/309392891.db2.gz PUTJQNWSHNKWOI-MBDNFAEBSA-N 2 0 341.543 3.394 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000423285578 309394182 /nfs/dbraw/zinc/39/41/82/309394182.db2.gz ZJLQFLYYJSIHBT-UBHSHLNASA-N 2 0 328.403 3.465 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000423317547 309395028 /nfs/dbraw/zinc/39/50/28/309395028.db2.gz BTBDECRKAKIVBF-OXQOHEQNSA-N 2 0 337.467 3.273 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000423320108 309395060 /nfs/dbraw/zinc/39/50/60/309395060.db2.gz DCFVMCJXIAHAKT-GJYPPUQNSA-N 2 0 329.488 3.388 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000423323527 309395256 /nfs/dbraw/zinc/39/52/56/309395256.db2.gz HZZHHVJONYCLGO-IRXDYDNUSA-N 2 0 345.512 3.193 20 0 EGADRP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]CC1 ZINC000423336504 309395873 /nfs/dbraw/zinc/39/58/73/309395873.db2.gz SWRGTIWPMPCEPJ-PCCBWWKXSA-N 3 0 341.543 3.266 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000423337835 309396077 /nfs/dbraw/zinc/39/60/77/309396077.db2.gz UFHCMAMTTCPNQH-JFIYKMOQSA-N 2 0 331.504 3.092 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000423356507 309396716 /nfs/dbraw/zinc/39/67/16/309396716.db2.gz KAKUTIBWPWRQCI-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H](C)[NH3+] ZINC000423359350 309397007 /nfs/dbraw/zinc/39/70/07/309397007.db2.gz OXVVBJQYWIFDRH-PXNSSMCTSA-N 2 0 345.531 3.298 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423386147 309398218 /nfs/dbraw/zinc/39/82/18/309398218.db2.gz RISCHNHGNBWIQX-WOJBJXKFSA-N 2 0 349.563 3.399 20 0 EGADRP CC(C)C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423392792 309398464 /nfs/dbraw/zinc/39/84/64/309398464.db2.gz QNSGUPMBSCLMMD-HIFRSBDPSA-N 2 0 349.466 3.261 20 0 EGADRP Cc1cc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000423419912 309399667 /nfs/dbraw/zinc/39/96/67/309399667.db2.gz WPDITDSARFYVGA-APWZRJJASA-N 2 0 347.503 3.028 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423422098 309399768 /nfs/dbraw/zinc/39/97/68/309399768.db2.gz CSBWXGBKCBKJSX-OLZOCXBDSA-N 2 0 335.883 3.397 20 0 EGADRP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423423254 309399898 /nfs/dbraw/zinc/39/98/98/309399898.db2.gz BWHIXELLPFAHGZ-DFQSSKMNSA-N 2 0 326.484 3.367 20 0 EGADRP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423447216 309400746 /nfs/dbraw/zinc/40/07/46/309400746.db2.gz TXYSYIHDKVERIL-IAOVAPTHSA-N 2 0 339.405 3.456 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423544250 309405724 /nfs/dbraw/zinc/40/57/24/309405724.db2.gz WJUNXCCPFAZOOD-HNNXBMFYSA-N 2 0 339.252 3.475 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423556884 309406267 /nfs/dbraw/zinc/40/62/67/309406267.db2.gz ZKKUBVPRGHWYLX-QBWPOKONSA-N 2 0 342.487 3.009 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423736764 309410989 /nfs/dbraw/zinc/41/09/89/309410989.db2.gz YYKXSSTXVQKRQC-NLPMXTIOSA-N 2 0 343.515 3.186 20 0 EGADRP O=C(C[C@@H]1CCC[NH2+]CC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423767555 309411855 /nfs/dbraw/zinc/41/18/55/309411855.db2.gz DLLHCBOCMVFZTC-QGZVFWFLSA-N 2 0 329.488 3.043 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424128472 309430152 /nfs/dbraw/zinc/43/01/52/309430152.db2.gz FMPQCEJNPUGBCF-GOSISDBHSA-N 2 0 337.552 3.397 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000424269953 309435403 /nfs/dbraw/zinc/43/54/03/309435403.db2.gz AQKVQDBBZGVROG-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000424447191 309444143 /nfs/dbraw/zinc/44/41/43/309444143.db2.gz URUMVPSBMWHOJF-SFHVURJKSA-N 2 0 344.434 3.017 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000426795789 309516872 /nfs/dbraw/zinc/51/68/72/309516872.db2.gz YONPAHNWBFVTEB-OALUTQOASA-N 2 0 346.515 3.277 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000430603519 309612844 /nfs/dbraw/zinc/61/28/44/309612844.db2.gz NVUUVTMQTQTQCD-HOTGVXAUSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000430925923 309621290 /nfs/dbraw/zinc/62/12/90/309621290.db2.gz MFXQUPYSESMJKN-SUMWQHHRSA-N 2 0 337.533 3.011 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430964987 309622299 /nfs/dbraw/zinc/62/22/99/309622299.db2.gz HDRXRWUEOMWSML-HZPDHXFCSA-N 2 0 339.483 3.076 20 0 EGADRP CC(C)CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)(C)C ZINC000433124474 309679529 /nfs/dbraw/zinc/67/95/29/309679529.db2.gz CQZAAZARKKQJBX-QGZVFWFLSA-N 2 0 325.541 3.157 20 0 EGADRP CC(C)[C@H](c1ccccc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433137314 309679745 /nfs/dbraw/zinc/67/97/45/309679745.db2.gz SRQFIKQKLDHNBV-HXUWFJFHSA-N 2 0 331.504 3.045 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000433143068 309679879 /nfs/dbraw/zinc/67/98/79/309679879.db2.gz GRJMJDZDKIOPBY-INIZCTEOSA-N 2 0 339.483 3.220 20 0 EGADRP CCCCOc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433159400 309680424 /nfs/dbraw/zinc/68/04/24/309680424.db2.gz RXMRUAURFAJHFL-UHFFFAOYSA-N 2 0 333.476 3.007 20 0 EGADRP CC[C@H](C)N(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433168759 309680607 /nfs/dbraw/zinc/68/06/07/309680607.db2.gz OHSSEDCOHDJBES-KRWDZBQOSA-N 2 0 331.504 3.017 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H](C[NH3+])C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000433171864 309680654 /nfs/dbraw/zinc/68/06/54/309680654.db2.gz FNOJMJITYQRLGV-WMZOPIPTSA-N 2 0 333.520 3.243 20 0 EGADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1OCC(F)(F)F ZINC000435391270 309731524 /nfs/dbraw/zinc/73/15/24/309731524.db2.gz DVELPBNUWWEGDP-LBPRGKRZSA-N 2 0 346.393 3.196 20 0 EGADRP CC1(C)CCc2ccccc2[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000436287027 309751738 /nfs/dbraw/zinc/75/17/38/309751738.db2.gz RXEYYPYUASEULH-HXUWFJFHSA-N 2 0 330.516 3.384 20 0 EGADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443599659 309904339 /nfs/dbraw/zinc/90/43/39/309904339.db2.gz HENYAXNKEHGIJM-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCC[C@H]1C ZINC000449071196 310034790 /nfs/dbraw/zinc/03/47/90/310034790.db2.gz GOQLBABIMPRIAG-LMMKCTJWSA-N 2 0 330.520 3.138 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CSC[C@H]3C)CC2)c1 ZINC000449071268 310034822 /nfs/dbraw/zinc/03/48/22/310034822.db2.gz GYUZCLDOWDRBDE-QUCCMNQESA-N 2 0 347.572 3.238 20 0 EGADRP O[C@@H](C[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000449090905 310036342 /nfs/dbraw/zinc/03/63/42/310036342.db2.gz IDDZOBATPMEFNH-MOPGFXCFSA-N 2 0 334.891 3.322 20 0 EGADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000449177022 310042344 /nfs/dbraw/zinc/04/23/44/310042344.db2.gz OGZFBCOZXZCDBD-JFIYKMOQSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@]2(C)CO)CC1 ZINC000449178135 310042595 /nfs/dbraw/zinc/04/25/95/310042595.db2.gz UHLJPIKCGADKPS-DUXKGJEZSA-N 2 0 330.516 3.223 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000449755166 310084669 /nfs/dbraw/zinc/08/46/69/310084669.db2.gz SKIXPXUOPJZRCJ-UHFFFAOYSA-N 2 0 343.437 3.211 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2cccs2)CC1 ZINC000450281538 310113024 /nfs/dbraw/zinc/11/30/24/310113024.db2.gz DISVTKZKNYJZKM-GOSISDBHSA-N 2 0 335.561 3.171 20 0 EGADRP C[C@@H](CCCc1cccnc1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000453083730 310256873 /nfs/dbraw/zinc/25/68/73/310256873.db2.gz NFOAFXAZTMSJSO-GBESFXJTSA-N 2 0 333.520 3.272 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000453109409 310258474 /nfs/dbraw/zinc/25/84/74/310258474.db2.gz PKXBMAWTDMATFR-WDSOQIARSA-N 2 0 342.487 3.188 20 0 EGADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453117432 310259108 /nfs/dbraw/zinc/25/91/08/310259108.db2.gz KQPHDBMCFTZQBC-MXEMCNAFSA-N 2 0 330.516 3.426 20 0 EGADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000453125311 310259553 /nfs/dbraw/zinc/25/95/53/310259553.db2.gz OMFDIEGQRSCFKV-SFHVURJKSA-N 2 0 337.511 3.482 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453132145 310259943 /nfs/dbraw/zinc/25/99/43/310259943.db2.gz XNUCPRXCFOLMPP-CGXNFDGLSA-N 2 0 328.500 3.180 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccncc1 ZINC000453211084 310264199 /nfs/dbraw/zinc/26/41/99/310264199.db2.gz AINJXLXLDOYASI-GOSISDBHSA-N 2 0 328.460 3.048 20 0 EGADRP FC(F)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453224220 310265038 /nfs/dbraw/zinc/26/50/38/310265038.db2.gz PSJBXLRZAKSEQH-KSZLIROESA-N 2 0 338.442 3.301 20 0 EGADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000453407397 310275401 /nfs/dbraw/zinc/27/54/01/310275401.db2.gz PSWATEGABIYURY-PFAUGDHASA-N 2 0 328.500 3.444 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000453423536 310276369 /nfs/dbraw/zinc/27/63/69/310276369.db2.gz NGQRZXGONZZTRA-IRXDYDNUSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000453423535 310276380 /nfs/dbraw/zinc/27/63/80/310276380.db2.gz NGQRZXGONZZTRA-IAGOWNOFSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CN(Cc2ccccc2)C1 ZINC000453590199 310283141 /nfs/dbraw/zinc/28/31/41/310283141.db2.gz AYMWJHCFBYBFTM-UYAOXDASSA-N 2 0 329.532 3.361 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@@H]1SC ZINC000459434358 310552443 /nfs/dbraw/zinc/55/24/43/310552443.db2.gz UTPLIUUPSJBFQY-KSZLIROESA-N 2 0 328.566 3.243 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000473295895 310773869 /nfs/dbraw/zinc/77/38/69/310773869.db2.gz MGKRLNKPDXOFNB-MOPGFXCFSA-N 2 0 333.520 3.135 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000473340663 310773930 /nfs/dbraw/zinc/77/39/30/310773930.db2.gz ANHZOKVCSYMNHV-WOJBJXKFSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000474889233 310800787 /nfs/dbraw/zinc/80/07/87/310800787.db2.gz RSOMRYPZEWVCQB-VQTJNVASSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)C1CC1 ZINC000483313747 310947431 /nfs/dbraw/zinc/94/74/31/310947431.db2.gz XSHDILGMUAHQMK-ZDUSSCGKSA-N 2 0 341.421 3.345 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000487181889 311014202 /nfs/dbraw/zinc/01/42/02/311014202.db2.gz BGDXVYRJMDTYRA-DFQSSKMNSA-N 2 0 345.531 3.305 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000490963941 311159040 /nfs/dbraw/zinc/15/90/40/311159040.db2.gz ISOKOXOESJTDLV-NQIIRXRSSA-N 2 0 329.532 3.097 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000492186974 311224804 /nfs/dbraw/zinc/22/48/04/311224804.db2.gz FZAOARYXBYQOSG-IBGZPJMESA-N 2 0 345.487 3.066 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CN1C1CC1 ZINC000492751681 311287096 /nfs/dbraw/zinc/28/70/96/311287096.db2.gz YUAMLAJNGWROJG-RDJZCZTQSA-N 2 0 349.519 3.159 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000492776813 311289955 /nfs/dbraw/zinc/28/99/55/311289955.db2.gz ZLXVZZHIZLYUNL-HOTGVXAUSA-N 2 0 327.513 3.144 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000493473503 311381895 /nfs/dbraw/zinc/38/18/95/311381895.db2.gz MYSJWXPYFUVQEZ-JKSUJKDBSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495618134 311586517 /nfs/dbraw/zinc/58/65/17/311586517.db2.gz SIDYXYWGIFXKNR-CYBMUJFWSA-N 2 0 339.524 3.141 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495743030 311604498 /nfs/dbraw/zinc/60/44/98/311604498.db2.gz BGQXFYWJVGZKTL-CQSZACIVSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496700689 311752028 /nfs/dbraw/zinc/75/20/28/311752028.db2.gz LFZWTFDKRUAPNQ-MJGOQNOKSA-N 2 0 347.503 3.061 20 0 EGADRP CC(C)C[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000499183875 311901650 /nfs/dbraw/zinc/90/16/50/311901650.db2.gz CTGZWRJEGBODTI-LNLFQRSKSA-N 2 0 348.535 3.001 20 0 EGADRP COc1ccc(C)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506006813 312039968 /nfs/dbraw/zinc/03/99/68/312039968.db2.gz INRBHTUCPUMYOD-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP Cc1cccc(OCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506030852 312040712 /nfs/dbraw/zinc/04/07/12/312040712.db2.gz JAZPBCAJDYXBGM-UHFFFAOYSA-N 2 0 346.515 3.198 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000506471534 312049875 /nfs/dbraw/zinc/04/98/75/312049875.db2.gz CWXKNZSDWAUGJW-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cnn(C)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512046034 312174221 /nfs/dbraw/zinc/17/42/21/312174221.db2.gz PUMAUMPPLSVNCB-PKOBYXMFSA-N 2 0 326.488 3.119 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1F ZINC000512188253 312178650 /nfs/dbraw/zinc/17/86/50/312178650.db2.gz XPDFEUNOIUZPSJ-IAGOWNOFSA-N 2 0 334.479 3.455 20 0 EGADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512665690 312191753 /nfs/dbraw/zinc/19/17/53/312191753.db2.gz HBXBWSSRMARKSH-NCYKPQTJSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)N(C)C ZINC000515400261 312280823 /nfs/dbraw/zinc/28/08/23/312280823.db2.gz GRVITYMNATVVHD-LLVKDONJSA-N 2 0 331.273 3.449 20 0 EGADRP CN1CC[NH+](CCCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516063092 312307128 /nfs/dbraw/zinc/30/71/28/312307128.db2.gz LWBNJNSZEPDSOW-HXUWFJFHSA-N 2 0 347.572 3.022 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)Cc1ccc(F)cc1 ZINC000517358464 312376038 /nfs/dbraw/zinc/37/60/38/312376038.db2.gz DGVXCQFNLMJNAO-NRFANRHFSA-N 2 0 342.458 3.115 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527858876 312959372 /nfs/dbraw/zinc/95/93/72/312959372.db2.gz MLTRXMMWPXZOKY-DBVUQKKJSA-N 2 0 328.500 3.210 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532484970 313805240 /nfs/dbraw/zinc/80/52/40/313805240.db2.gz QNDVAHPKGGSVLB-GHTZIAJQSA-N 2 0 329.532 3.391 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000532742902 313837306 /nfs/dbraw/zinc/83/73/06/313837306.db2.gz MVFHQLDBZJSFBO-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000541534342 314466984 /nfs/dbraw/zinc/46/69/84/314466984.db2.gz NBQUWCOCEFOLHY-UHFFFAOYSA-N 2 0 349.438 3.014 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000121048679 454383257 /nfs/dbraw/zinc/38/32/57/454383257.db2.gz OQCDLDNTXUQUDC-KGLIPLIRSA-N 2 0 329.941 3.326 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000549796748 315104888 /nfs/dbraw/zinc/10/48/88/315104888.db2.gz HPHWVHDSWVAKJT-PZJWPPBQSA-N 2 0 348.506 3.173 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000549804857 315105297 /nfs/dbraw/zinc/10/52/97/315105297.db2.gz OYEAULNKRXILBR-UHFFFAOYSA-N 2 0 329.532 3.460 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(O)CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552357502 315216070 /nfs/dbraw/zinc/21/60/70/315216070.db2.gz CMYIQECCVVZFDQ-DSKINZAPSA-N 2 0 330.516 3.428 20 0 EGADRP CC[C@H](C[NH2+][C@H]1CCC12CCOCC2)N1CCc2ccccc2C1 ZINC000554560880 315332511 /nfs/dbraw/zinc/33/25/11/315332511.db2.gz IQKAOCSRBIHCJH-UXHICEINSA-N 2 0 328.500 3.372 20 0 EGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000554724680 315345666 /nfs/dbraw/zinc/34/56/66/315345666.db2.gz NUHOGBCPAGGKKN-BDTNDASRSA-N 2 0 341.543 3.363 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000559683225 315642211 /nfs/dbraw/zinc/64/22/11/315642211.db2.gz RPJMVBFCEQBPQE-HOTGVXAUSA-N 2 0 349.494 3.420 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(C)o1 ZINC000562601661 315858976 /nfs/dbraw/zinc/85/89/76/315858976.db2.gz QWRGILAKNSBHCJ-OAHLLOKOSA-N 2 0 349.519 3.174 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000563056400 315951414 /nfs/dbraw/zinc/95/14/14/315951414.db2.gz FUKRTEKVKDCWOC-VQIMIIECSA-N 2 0 347.503 3.253 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC[NH2+]1 ZINC000563435854 316022002 /nfs/dbraw/zinc/02/20/02/316022002.db2.gz WZZNZOJEAXRWLE-CVEARBPZSA-N 2 0 339.487 3.039 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000564096011 316112667 /nfs/dbraw/zinc/11/26/67/316112667.db2.gz DAQMFACJGHJLBC-MGPQQGTHSA-N 2 0 332.410 3.100 20 0 EGADRP C[C@@H]1C[C@@H](N[C@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000564829314 316213555 /nfs/dbraw/zinc/21/35/55/316213555.db2.gz SCZHHKUSBGQOOF-NEWSRXKRSA-N 2 0 343.515 3.029 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC000564843312 316215681 /nfs/dbraw/zinc/21/56/81/316215681.db2.gz BWROFZBJYWTBTN-KRWDZBQOSA-N 2 0 344.421 3.321 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000564973715 316240389 /nfs/dbraw/zinc/24/03/89/316240389.db2.gz PHKRBNCQWCQCLU-CHWSQXEVSA-N 2 0 334.895 3.417 20 0 EGADRP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000565308494 316307589 /nfs/dbraw/zinc/30/75/89/316307589.db2.gz VRDZKAWBYTYXJA-HUUCEWRRSA-N 2 0 329.419 3.302 20 0 EGADRP Cc1cc(-c2noc([C@H](C)[NH+]3CCC(CC[NH3+])CC3)n2)ccc1F ZINC000565366830 316315361 /nfs/dbraw/zinc/31/53/61/316315361.db2.gz WKVSHVLQNXMWDO-ZDUSSCGKSA-N 2 0 332.423 3.306 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000565933223 316389708 /nfs/dbraw/zinc/38/97/08/316389708.db2.gz JLYXGXAXQPZBDZ-IZZQQSIFSA-N 2 0 332.488 3.207 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)ccn2)cc1 ZINC000566089403 316414013 /nfs/dbraw/zinc/41/40/13/316414013.db2.gz PFCMXJWXYFZSEM-DNVCBOLYSA-N 2 0 341.455 3.360 20 0 EGADRP Fc1ccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000566242297 316440879 /nfs/dbraw/zinc/44/08/79/316440879.db2.gz LHSAJBVBDIKUEQ-AWEZNQCLSA-N 2 0 326.843 3.179 20 0 EGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CC(F)(F)F ZINC000567690556 316656457 /nfs/dbraw/zinc/65/64/57/316656457.db2.gz DKUXOFVXVZERSK-KRWDZBQOSA-N 2 0 344.421 3.466 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000568391821 316769131 /nfs/dbraw/zinc/76/91/31/316769131.db2.gz PRIGDRUTWXHVPX-DNVCBOLYSA-N 2 0 333.545 3.011 20 0 EGADRP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000569129116 316870901 /nfs/dbraw/zinc/87/09/01/316870901.db2.gz IPLLKEWCZFTBQC-UHFFFAOYSA-N 2 0 349.494 3.014 20 0 EGADRP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000570153525 317014129 /nfs/dbraw/zinc/01/41/29/317014129.db2.gz LPRWLHKCPJHSPQ-GQWLDOHISA-N 2 0 336.483 3.341 20 0 EGADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570624660 317083440 /nfs/dbraw/zinc/08/34/40/317083440.db2.gz XIHYPKDNFMQZNI-YXKFXFPPSA-N 2 0 341.455 3.240 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000571789566 317248117 /nfs/dbraw/zinc/24/81/17/317248117.db2.gz RRZLQTDFNQLFBF-BEFAXECRSA-N 2 0 329.488 3.293 20 0 EGADRP C[C@@H]1C[C@H](N(C)Cc2ncccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000572407681 317334180 /nfs/dbraw/zinc/33/41/80/317334180.db2.gz DBLBYHNPEAFOHT-SJLPKXTDSA-N 2 0 325.456 3.272 20 0 EGADRP CC(C)c1cccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000573445408 317485785 /nfs/dbraw/zinc/48/57/85/317485785.db2.gz VFVCLKZZJXMCAF-GOSISDBHSA-N 2 0 329.488 3.070 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])CC(C)C)c1ccccc1Cl ZINC000236883723 456196578 /nfs/dbraw/zinc/19/65/78/456196578.db2.gz RBEUSEWJVTXWCK-IAGOWNOFSA-N 2 0 339.911 3.213 20 0 EGADRP CC1(C)CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000178007661 323349694 /nfs/dbraw/zinc/34/96/94/323349694.db2.gz QOHUUXRALSEJHD-OALUTQOASA-N 2 0 343.515 3.052 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379664181 324240702 /nfs/dbraw/zinc/24/07/02/324240702.db2.gz OFNZUNZJVTWJOS-SLFFLAALSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000387475463 324271862 /nfs/dbraw/zinc/27/18/62/324271862.db2.gz UMBALIOZVIOBRH-QWFCFKBJSA-N 2 0 329.532 3.359 20 0 EGADRP c1ccc2c(c1)CCC[C@H]2[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000576209680 324568185 /nfs/dbraw/zinc/56/81/85/324568185.db2.gz IRKOCRSRKPELJE-OAQYLSRUSA-N 2 0 328.500 3.498 20 0 EGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000578352389 324956957 /nfs/dbraw/zinc/95/69/57/324956957.db2.gz XFZXLKJIZNXPBU-PXNSSMCTSA-N 2 0 343.515 3.196 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[NH+](C)C)cc1 ZINC000578675975 325002169 /nfs/dbraw/zinc/00/21/69/325002169.db2.gz NJXDYKLFNVBXAC-MOPGFXCFSA-N 2 0 333.520 3.088 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000578752044 325013446 /nfs/dbraw/zinc/01/34/46/325013446.db2.gz CMPIQRDPVVITHI-FQEVSTJZSA-N 2 0 339.483 3.151 20 0 EGADRP C[NH+](C)CCCC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000579821751 325163506 /nfs/dbraw/zinc/16/35/06/325163506.db2.gz PDOWMVZSLLQULI-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000580181539 325214485 /nfs/dbraw/zinc/21/44/85/325214485.db2.gz LXTGVJULUJUXFW-ONTIZHBOSA-N 2 0 349.478 3.492 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000580456039 325253839 /nfs/dbraw/zinc/25/38/39/325253839.db2.gz KYBRYEWYXKDPJJ-JTQLQIEISA-N 2 0 332.311 3.288 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000580541169 325265134 /nfs/dbraw/zinc/26/51/34/325265134.db2.gz HEOLSKONFSIGPI-GFCCVEGCSA-N 2 0 331.273 3.497 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)CC1 ZINC000580927622 325309789 /nfs/dbraw/zinc/30/97/89/325309789.db2.gz UWEHHDAASVBELK-RTWAWAEBSA-N 2 0 349.563 3.017 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000580976061 325315819 /nfs/dbraw/zinc/31/58/19/325315819.db2.gz SHTOCPXCAFKTAL-JSXRDJHFSA-N 2 0 328.500 3.446 20 0 EGADRP CC[C@@]1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000581827337 325391925 /nfs/dbraw/zinc/39/19/25/325391925.db2.gz NAFLGTNFVGEVBQ-PXNSSMCTSA-N 2 0 335.536 3.022 20 0 EGADRP CCOc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000322721825 456649770 /nfs/dbraw/zinc/64/97/70/456649770.db2.gz QYFJGFDOFGWENC-CQSZACIVSA-N 2 0 330.419 3.492 20 0 EGADRP C[C@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000354276499 457167643 /nfs/dbraw/zinc/16/76/43/457167643.db2.gz BXUOPISJMPFUJP-IRXDYDNUSA-N 2 0 326.525 3.155 20 0 EGADRP Cn1cc([C@@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000180716488 455233501 /nfs/dbraw/zinc/23/35/01/455233501.db2.gz JBEYWMAYBHFQRW-QYZOEREBSA-N 2 0 330.451 3.111 20 0 EGADRP [NH3+]C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000238039311 455248286 /nfs/dbraw/zinc/24/82/86/455248286.db2.gz UHXAMFBTRBKDPZ-HXUWFJFHSA-N 2 0 337.467 3.006 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483119300 459341955 /nfs/dbraw/zinc/34/19/55/459341955.db2.gz LVKZAWLBLQAICC-CZUORRHYSA-N 2 0 337.305 3.411 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000183235080 455256928 /nfs/dbraw/zinc/25/69/28/455256928.db2.gz JUAQYNOJBCPRLC-UHFFFAOYSA-N 2 0 348.878 3.397 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCOCC(F)F ZINC000189950498 455259869 /nfs/dbraw/zinc/25/98/69/455259869.db2.gz RQFMDHHTCIWALJ-HUUCEWRRSA-N 2 0 326.431 3.014 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180925026 455265381 /nfs/dbraw/zinc/26/53/81/455265381.db2.gz OYXOHSQZDSPGFA-KRWDZBQOSA-N 2 0 344.455 3.398 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000180985277 455272942 /nfs/dbraw/zinc/27/29/42/455272942.db2.gz HDSNQQQEOWAPDA-OAQYLSRUSA-N 2 0 343.515 3.067 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(CC[NH+]4CCCCC4)CC[C@@H]32)cc1 ZINC000159046597 455348192 /nfs/dbraw/zinc/34/81/92/455348192.db2.gz PAHVZLWWVMTYNO-YADHBBJMSA-N 2 0 341.543 3.459 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000159137023 455354756 /nfs/dbraw/zinc/35/47/56/455354756.db2.gz IMTIETYFXFUOMN-PMACEKPBSA-N 2 0 343.515 3.019 20 0 EGADRP COc1ccc(Br)c(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631891436 460591065 /nfs/dbraw/zinc/59/10/65/460591065.db2.gz ZXKFYOCXNYVOJS-BLLLJJGKSA-N 2 0 339.277 3.032 20 0 EGADRP CN(C)c1c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc(F)c1F ZINC000623575259 460621182 /nfs/dbraw/zinc/62/11/82/460621182.db2.gz RVFXDHWNINUIIC-UHFFFAOYSA-N 2 0 337.458 3.242 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)o1 ZINC000042752650 454023504 /nfs/dbraw/zinc/02/35/04/454023504.db2.gz YIZQQOOXCUHBNK-UHFFFAOYSA-N 2 0 329.444 3.435 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522395 454064193 /nfs/dbraw/zinc/06/41/93/454064193.db2.gz ACUAYSYORAINID-AWEZNQCLSA-N 2 0 337.895 3.331 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522515 454064237 /nfs/dbraw/zinc/06/42/37/454064237.db2.gz MKNKTYQXLYGLQS-KRWDZBQOSA-N 2 0 331.504 3.294 20 0 EGADRP CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000077364544 454097592 /nfs/dbraw/zinc/09/75/92/454097592.db2.gz NHJHYEACCHUFDX-IBGZPJMESA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000089516667 454157895 /nfs/dbraw/zinc/15/78/95/454157895.db2.gz JHVNJVSIITXSMN-CZUORRHYSA-N 2 0 341.293 3.148 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000089552077 454161645 /nfs/dbraw/zinc/16/16/45/454161645.db2.gz IZQURMMKYTYKMZ-HIFRSBDPSA-N 2 0 330.394 3.404 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555982 454162513 /nfs/dbraw/zinc/16/25/13/454162513.db2.gz FVNKEJNMRBTLAD-WWGRRREGSA-N 2 0 348.878 3.251 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1N(C)C ZINC000093943571 454180960 /nfs/dbraw/zinc/18/09/60/454180960.db2.gz VRXZQMCTKGWGSE-KURKYZTESA-N 2 0 333.520 3.293 20 0 EGADRP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)ccn1 ZINC000119402914 454191933 /nfs/dbraw/zinc/19/19/33/454191933.db2.gz ONWDWXQVYLELEJ-UHFFFAOYSA-N 2 0 330.407 3.125 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000119421685 454193929 /nfs/dbraw/zinc/19/39/29/454193929.db2.gz BXTQKENODYITMZ-LBTNJELSSA-N 2 0 339.886 3.378 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc2ccccc2n1 ZINC000095967682 454242261 /nfs/dbraw/zinc/24/22/61/454242261.db2.gz GMOWSVJXBNKACF-QGZVFWFLSA-N 2 0 340.515 3.159 20 0 EGADRP FC(F)(F)c1ccccc1OCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000620369418 460630148 /nfs/dbraw/zinc/63/01/48/460630148.db2.gz SFTJOIKVZGUBPH-KBPBESRZSA-N 2 0 328.378 3.016 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000072038085 454267325 /nfs/dbraw/zinc/26/73/25/454267325.db2.gz SOZGKUFAIKWFLF-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000090524513 454315817 /nfs/dbraw/zinc/31/58/17/454315817.db2.gz WTJQWHGVOVNWJR-ACRUOGEOSA-N 2 0 328.500 3.422 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000090523465 454316327 /nfs/dbraw/zinc/31/63/27/454316327.db2.gz DPMJEPFJLZTFGB-HKBOAZHASA-N 2 0 328.500 3.340 20 0 EGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090716005 454337998 /nfs/dbraw/zinc/33/79/98/454337998.db2.gz KBMAPMXTAQZUSM-IAGOWNOFSA-N 2 0 342.405 3.482 20 0 EGADRP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120783930 454347781 /nfs/dbraw/zinc/34/77/81/454347781.db2.gz GOUVUYDDRNCZSW-MOPGFXCFSA-N 2 0 331.548 3.419 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc(C)c1F ZINC000132571275 454349383 /nfs/dbraw/zinc/34/93/83/454349383.db2.gz JENWSXYMVFUJSJ-MJGOQNOKSA-N 2 0 335.511 3.365 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C)c1 ZINC000090936835 454352051 /nfs/dbraw/zinc/35/20/51/454352051.db2.gz LPEJJYLFKOPNJF-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937099 454353396 /nfs/dbraw/zinc/35/33/96/454353396.db2.gz PGFUYAWYKLYEAT-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP Cc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000120858892 454356899 /nfs/dbraw/zinc/35/68/99/454356899.db2.gz XTJYVDMOMSYBFC-HXUWFJFHSA-N 2 0 344.478 3.366 20 0 EGADRP C[C@@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)CN1CC[NH+](C)CC1 ZINC000120885874 454359916 /nfs/dbraw/zinc/35/99/16/454359916.db2.gz IXNHEZAIJRMHJO-DZKIICNBSA-N 2 0 339.574 3.147 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)CN1CC[NH+](C)CC1 ZINC000121055328 454384769 /nfs/dbraw/zinc/38/47/69/454384769.db2.gz DXYDOOXTNYOXID-ROUUACIJSA-N 2 0 341.499 3.481 20 0 EGADRP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000079303771 454394834 /nfs/dbraw/zinc/39/48/34/454394834.db2.gz QFBNXRVRGUJYTN-ROUUACIJSA-N 2 0 345.531 3.311 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000121161574 454400423 /nfs/dbraw/zinc/40/04/23/454400423.db2.gz JZEIZCBUQCSICY-AZUAARDMSA-N 2 0 345.531 3.072 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000121232065 454409328 /nfs/dbraw/zinc/40/93/28/454409328.db2.gz OTNQRKYWPGHLAV-KGLIPLIRSA-N 2 0 343.437 3.028 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091285170 454422838 /nfs/dbraw/zinc/42/28/38/454422838.db2.gz HUZOXAWBVWSLLA-OAQYLSRUSA-N 2 0 329.532 3.453 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091317604 454425914 /nfs/dbraw/zinc/42/59/14/454425914.db2.gz QZYQEVOMDFAFTF-HXUWFJFHSA-N 2 0 334.504 3.483 20 0 EGADRP COc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000091343535 454428385 /nfs/dbraw/zinc/42/83/85/454428385.db2.gz ZYRIZKVRAANZBJ-DYESRHJHSA-N 2 0 346.515 3.483 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1 ZINC000121443139 454435679 /nfs/dbraw/zinc/43/56/79/454435679.db2.gz WSFHIWZWYHSTDA-HOTGVXAUSA-N 2 0 331.460 3.204 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000092043698 454508540 /nfs/dbraw/zinc/50/85/40/454508540.db2.gz JHCRLOLHKKPRDM-ICSRJNTNSA-N 2 0 332.488 3.018 20 0 EGADRP CCCCN(C)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134174437 454511644 /nfs/dbraw/zinc/51/16/44/454511644.db2.gz QMFGMOMANUWBQD-UHFFFAOYSA-N 2 0 346.563 3.039 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000122397693 454528417 /nfs/dbraw/zinc/52/84/17/454528417.db2.gz JVXXZDZEISVUSA-HNNXBMFYSA-N 2 0 342.439 3.207 20 0 EGADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cn1 ZINC000122391100 454528644 /nfs/dbraw/zinc/52/86/44/454528644.db2.gz ZSTKKPNYZOOJIW-MRXNPFEDSA-N 2 0 330.476 3.255 20 0 EGADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(OC(F)F)c1 ZINC000092381000 454558066 /nfs/dbraw/zinc/55/80/66/454558066.db2.gz CJDSVOJMALHWED-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381358 454558989 /nfs/dbraw/zinc/55/89/89/454558989.db2.gz OTRGKRRUBSDGGK-UHFFFAOYSA-N 2 0 342.487 3.249 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000122875302 454577617 /nfs/dbraw/zinc/57/76/17/454577617.db2.gz MZCGIXCOLKPICF-WBVHZDCISA-N 2 0 332.488 3.055 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123167414 454610614 /nfs/dbraw/zinc/61/06/14/454610614.db2.gz VDUCBMIMZBJULR-IRXDYDNUSA-N 2 0 339.524 3.144 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000092738293 454620708 /nfs/dbraw/zinc/62/07/08/454620708.db2.gz ORLNDTGTTZRYDU-QGZVFWFLSA-N 2 0 345.531 3.136 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092753103 454625340 /nfs/dbraw/zinc/62/53/40/454625340.db2.gz KJMXJDQPTPEGMK-QGZVFWFLSA-N 2 0 345.531 3.138 20 0 EGADRP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123554055 454651660 /nfs/dbraw/zinc/65/16/60/454651660.db2.gz GWEISGPNBZVGJG-SFHVURJKSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cncs3)CC2)c1 ZINC000135849032 454705566 /nfs/dbraw/zinc/70/55/66/454705566.db2.gz FTVBLJLMHSKXEH-UHFFFAOYSA-N 2 0 344.528 3.144 20 0 EGADRP CCCCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000136188835 454727709 /nfs/dbraw/zinc/72/77/09/454727709.db2.gz PSHUYBZZMIFMEC-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162318973 454767456 /nfs/dbraw/zinc/76/74/56/454767456.db2.gz ALMWXJZRVQREOA-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000137738100 454784586 /nfs/dbraw/zinc/78/45/86/454784586.db2.gz MDYLPYGFQQIEPV-KRWDZBQOSA-N 2 0 347.503 3.078 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000162590503 454786386 /nfs/dbraw/zinc/78/63/86/454786386.db2.gz ZSDQTHREVYVSFL-SESVDKBCSA-N 2 0 329.532 3.186 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000138493535 454793782 /nfs/dbraw/zinc/79/37/82/454793782.db2.gz VWFMYDPXTCTNRD-GOSISDBHSA-N 2 0 326.488 3.437 20 0 EGADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153677839 454820490 /nfs/dbraw/zinc/82/04/90/454820490.db2.gz XYFINRKVGOZZOZ-IEBWSBKVSA-N 2 0 345.531 3.295 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000153705531 454823099 /nfs/dbraw/zinc/82/30/99/454823099.db2.gz TTYPJQSYSLMEKZ-VNHYZAJKSA-N 2 0 342.430 3.157 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000154213224 454874719 /nfs/dbraw/zinc/87/47/19/454874719.db2.gz BLOKYKWNKTXJGN-YYWHXJBOSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000164180725 454876536 /nfs/dbraw/zinc/87/65/36/454876536.db2.gz HHESCWFJXWIJLA-RXVVDRJESA-N 3 0 329.532 3.492 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112673553 454895134 /nfs/dbraw/zinc/89/51/34/454895134.db2.gz VKUDVCLYTWMAKV-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP C[C@H](CN[C@H](C)c1cnn(Cc2ccccc2)c1)C[NH+]1CCCC1 ZINC000165324553 454898197 /nfs/dbraw/zinc/89/81/97/454898197.db2.gz HKDULYZXIDISGV-QZTJIDSGSA-N 2 0 326.488 3.314 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000166107749 454907132 /nfs/dbraw/zinc/90/71/32/454907132.db2.gz YILZJXAACFIHAB-SFTDATJTSA-N 2 0 329.532 3.234 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CN1C1CC1 ZINC000166316278 454911042 /nfs/dbraw/zinc/91/10/42/454911042.db2.gz CGALNZVALMOMKP-SDMXJPDVSA-N 2 0 339.483 3.034 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150950132 454916952 /nfs/dbraw/zinc/91/69/52/454916952.db2.gz FKQZDMDLBHNNIC-FOIQADDNSA-N 2 0 333.495 3.065 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177969142 454923806 /nfs/dbraw/zinc/92/38/06/454923806.db2.gz OCIXGJFOVCRRSQ-OPYAIIAOSA-N 2 0 329.532 3.012 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000151115485 454939842 /nfs/dbraw/zinc/93/98/42/454939842.db2.gz GLRWERFVGCBRLL-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000127248304 454948494 /nfs/dbraw/zinc/94/84/94/454948494.db2.gz JICYLRVDTICQHF-OALUTQOASA-N 2 0 349.563 3.317 20 0 EGADRP CCOc1ncccc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151187724 454949685 /nfs/dbraw/zinc/94/96/85/454949685.db2.gz DGSMQTPUUZELET-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178409354 454953624 /nfs/dbraw/zinc/95/36/24/454953624.db2.gz WQIINSXDOLNKEO-MRXNPFEDSA-N 2 0 344.503 3.497 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155024180 454954419 /nfs/dbraw/zinc/95/44/19/454954419.db2.gz CQJKHGZQAWAPNF-ZWKOTPCHSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178829054 454981766 /nfs/dbraw/zinc/98/17/66/454981766.db2.gz NNYPVKQLCNLUGG-OXJNMPFZSA-N 2 0 343.515 3.236 20 0 EGADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000155585758 455019278 /nfs/dbraw/zinc/01/92/78/455019278.db2.gz GHDIOODHDNCGJL-XLIONFOSSA-N 2 0 333.520 3.152 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000155706823 455033899 /nfs/dbraw/zinc/03/38/99/455033899.db2.gz NNFFFSVALFWUML-KRWDZBQOSA-N 2 0 343.471 3.132 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128280337 455041757 /nfs/dbraw/zinc/04/17/57/455041757.db2.gz XQSBLNVWQREZIS-OAHLLOKOSA-N 2 0 338.565 3.253 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2)o1 ZINC000151875512 455043220 /nfs/dbraw/zinc/04/32/20/455043220.db2.gz AJZIUPOIONKWBW-MRXNPFEDSA-N 2 0 328.456 3.302 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000128505497 455062884 /nfs/dbraw/zinc/06/28/84/455062884.db2.gz ODPJQZYPWDUORI-UHFFFAOYSA-N 2 0 329.488 3.261 20 0 EGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCCO2 ZINC000128558691 455067795 /nfs/dbraw/zinc/06/77/95/455067795.db2.gz COZHEMVAMUAIDA-HXUWFJFHSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000129014700 455094268 /nfs/dbraw/zinc/09/42/68/455094268.db2.gz JMOSZNKAVUMZRV-ACBHZAAOSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccn1 ZINC000119188757 455130891 /nfs/dbraw/zinc/13/08/91/455130891.db2.gz PXCZTJJYJUMBME-HNNXBMFYSA-N 2 0 339.443 3.132 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1OC(F)F ZINC000172432193 455153644 /nfs/dbraw/zinc/15/36/44/455153644.db2.gz WDDZZOIEVMTJSA-UHFFFAOYSA-N 2 0 328.403 3.070 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180455736 455173590 /nfs/dbraw/zinc/17/35/90/455173590.db2.gz JLGPZKWEDLAZOQ-DLBZAZTESA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180455706 455173685 /nfs/dbraw/zinc/17/36/85/455173685.db2.gz JLGPZKWEDLAZOQ-IRXDYDNUSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237352159 455176313 /nfs/dbraw/zinc/17/63/13/455176313.db2.gz PFEPKJGABAJVCZ-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237632221 455200481 /nfs/dbraw/zinc/20/04/81/455200481.db2.gz CQNCMPKISDUHSZ-DNVCBOLYSA-N 2 0 325.456 3.331 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237638693 455201435 /nfs/dbraw/zinc/20/14/35/455201435.db2.gz SXSSPFGMHXQAPL-ICSRJNTNSA-N 2 0 345.531 3.407 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2([NH3+])CCCC2)C1 ZINC000237684794 455207384 /nfs/dbraw/zinc/20/73/84/455207384.db2.gz XOYRBTJHQNRQQY-CALCHBBNSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]CCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000237705196 455209759 /nfs/dbraw/zinc/20/97/59/455209759.db2.gz OZWNONPLGCTTER-HOTGVXAUSA-N 2 0 343.519 3.124 20 0 EGADRP CC(C)OC1CC([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000189528234 455214232 /nfs/dbraw/zinc/21/42/32/455214232.db2.gz BMMLTQBZPDBUCW-FBIZOPLVSA-N 2 0 346.515 3.341 20 0 EGADRP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159022842 455345510 /nfs/dbraw/zinc/34/55/10/455345510.db2.gz WVLCJDLJOSBIAG-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(CC)CC ZINC000181774754 455381575 /nfs/dbraw/zinc/38/15/75/455381575.db2.gz WXMIRRGJIRFSMZ-YTQUADARSA-N 2 0 338.536 3.061 20 0 EGADRP c1ccc(CC2CC[NH+](CCCC[NH2+]C3CCOCC3)CC2)cc1 ZINC000174374042 455384247 /nfs/dbraw/zinc/38/42/47/455384247.db2.gz UCIQKOGKBPZRQR-UHFFFAOYSA-N 2 0 330.516 3.490 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(OCC3CC3)cc2)C[C@@H](C)O1 ZINC000190893367 455399134 /nfs/dbraw/zinc/39/91/34/455399134.db2.gz XGGNYVHELZHYDM-QZTJIDSGSA-N 2 0 346.515 3.454 20 0 EGADRP CCC1(CC)[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C[C@@H]1OC ZINC000181948035 455403068 /nfs/dbraw/zinc/40/30/68/455403068.db2.gz CAZFZDLQJAGQRU-ROUUACIJSA-N 2 0 338.536 3.205 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1(CC)CC ZINC000245953371 455406732 /nfs/dbraw/zinc/40/67/32/455406732.db2.gz WXMIRRGJIRFSMZ-BHIYHBOVSA-N 2 0 338.536 3.061 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000246191220 455444632 /nfs/dbraw/zinc/44/46/32/455444632.db2.gz DDTJFXDWMALJOV-XUVXKRRUSA-N 2 0 343.515 3.093 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289962 455464975 /nfs/dbraw/zinc/46/49/75/455464975.db2.gz XRYIHIUPTJLBJY-QFBILLFUSA-N 2 0 347.503 3.076 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](CC)C[C@H]3C)cc2)n1 ZINC000246497133 455501484 /nfs/dbraw/zinc/50/14/84/455501484.db2.gz SIMAPUYVPYPWLV-CRAIPNDOSA-N 2 0 342.487 3.161 20 0 EGADRP CCCC[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000246967753 455539532 /nfs/dbraw/zinc/53/95/32/455539532.db2.gz JEBDHTDTLFRGHW-WIYYLYMNSA-N 2 0 329.532 3.361 20 0 EGADRP CCSc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000185501777 455569036 /nfs/dbraw/zinc/56/90/36/455569036.db2.gz BCROGMUPOXGOQY-UHFFFAOYSA-N 2 0 347.572 3.447 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C(=O)OC)co2)CC1 ZINC000182736428 455578510 /nfs/dbraw/zinc/57/85/10/455578510.db2.gz XZAPXKBKNLODSJ-UHFFFAOYSA-N 2 0 336.476 3.400 20 0 EGADRP COCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247299990 455584892 /nfs/dbraw/zinc/58/48/92/455584892.db2.gz ZQEPRWLBBGKUJU-GHTZIAJQSA-N 2 0 344.499 3.161 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000292206741 455595686 /nfs/dbraw/zinc/59/56/86/455595686.db2.gz YOBDRYRIGOYLLC-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000185872366 455639446 /nfs/dbraw/zinc/63/94/46/455639446.db2.gz IFAMKBQRJLIZNJ-QGZVFWFLSA-N 2 0 343.471 3.188 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000271488855 455656394 /nfs/dbraw/zinc/65/63/94/455656394.db2.gz OQOKYQNNRWYGEI-QGZVFWFLSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@H]([NH2+]CCCc1nccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271551184 455682454 /nfs/dbraw/zinc/68/24/54/455682454.db2.gz VTBPGRURHMKTHT-HNNXBMFYSA-N 2 0 333.501 3.367 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000271563704 455685151 /nfs/dbraw/zinc/68/51/51/455685151.db2.gz YEECFEHULNNHDF-HOCLYGCPSA-N 2 0 330.501 3.068 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192787274 455693536 /nfs/dbraw/zinc/69/35/36/455693536.db2.gz VIQBUZKRUPLYOF-GOSISDBHSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCO2 ZINC000248177160 455693991 /nfs/dbraw/zinc/69/39/91/455693991.db2.gz VTIWFDBATKTFJH-AZUAARDMSA-N 2 0 346.515 3.344 20 0 EGADRP CCOc1ccc(C[N@H+](CCCn2ccnc2)CCC(C)(C)O)cc1 ZINC000271618300 455701850 /nfs/dbraw/zinc/70/18/50/455701850.db2.gz DJNKOESFPZCCFI-UHFFFAOYSA-N 2 0 345.487 3.335 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000268983919 455752986 /nfs/dbraw/zinc/75/29/86/455752986.db2.gz PRZANEUUQHZIKS-YZGWKJHDSA-N 2 0 347.572 3.066 20 0 EGADRP c1cc2c(cc1[C@H]1CCCN1CCC[NH+]1CCCCC1)OCCO2 ZINC000193458423 455760086 /nfs/dbraw/zinc/76/00/86/455760086.db2.gz BEBBIFHHLKWNBF-GOSISDBHSA-N 2 0 330.472 3.471 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000269029167 455768154 /nfs/dbraw/zinc/76/81/54/455768154.db2.gz RLXXZFSBMQWZSQ-DYESRHJHSA-N 2 0 327.516 3.113 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186566327 455794284 /nfs/dbraw/zinc/79/42/84/455794284.db2.gz BVRAVBVPOCAHCF-ICSRJNTNSA-N 2 0 329.532 3.296 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186569504 455795899 /nfs/dbraw/zinc/79/58/99/455795899.db2.gz SWGAQPCBDHHANL-ZWKOTPCHSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186589278 455799797 /nfs/dbraw/zinc/79/97/97/455799797.db2.gz ZBNOHUDNXLYOGT-OALUTQOASA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000278299304 455810217 /nfs/dbraw/zinc/81/02/17/455810217.db2.gz CKXZIKSDIBZGJD-JTDSTZFVSA-N 2 0 334.529 3.139 20 0 EGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000186727952 455828434 /nfs/dbraw/zinc/82/84/34/455828434.db2.gz SYENCSKPYDWMAL-QGZVFWFLSA-N 2 0 328.859 3.176 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2nccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209587 455878373 /nfs/dbraw/zinc/87/83/73/455878373.db2.gz PYTVYUIQSNHJOH-IEBWSBKVSA-N 2 0 334.467 3.335 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2nccn2C)cc1 ZINC000620595162 460698952 /nfs/dbraw/zinc/69/89/52/460698952.db2.gz JGJNCPAUECLIHC-HNNXBMFYSA-N 2 0 328.460 3.143 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000285786667 455916294 /nfs/dbraw/zinc/91/62/94/455916294.db2.gz UKLQZSJLPKXSTO-QZTJIDSGSA-N 2 0 341.503 3.430 20 0 EGADRP CSc1cc(Br)ccc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261639268 455919192 /nfs/dbraw/zinc/91/91/92/455919192.db2.gz GDQSRAIPTDHTDM-AWEZNQCLSA-N 2 0 329.307 3.342 20 0 EGADRP c1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000261728985 455936023 /nfs/dbraw/zinc/93/60/23/455936023.db2.gz RNQZSCPWDAYBMS-BQJUDKOJSA-N 2 0 327.516 3.334 20 0 EGADRP Clc1cccc(Cl)c1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261762615 455943673 /nfs/dbraw/zinc/94/36/73/455943673.db2.gz DAAXPYVQRKMCFU-UHFFFAOYSA-N 2 0 328.287 3.115 20 0 EGADRP CC(C)(C)OC1CC([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000272419300 455944514 /nfs/dbraw/zinc/94/45/14/455944514.db2.gz LPYNDGBCYWTWGO-UHFFFAOYSA-N 2 0 346.515 3.079 20 0 EGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000286023364 455961902 /nfs/dbraw/zinc/96/19/02/455961902.db2.gz JWDJRVIYJAKJTM-GUYCJALGSA-N 2 0 333.476 3.035 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261882456 455964474 /nfs/dbraw/zinc/96/44/74/455964474.db2.gz ZHUATWRCSHDFSZ-LSTHTHJFSA-N 2 0 343.515 3.195 20 0 EGADRP CO[C@@H](C)c1nc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261883453 455965115 /nfs/dbraw/zinc/96/51/15/455965115.db2.gz YWHHOVPWWYYJMW-LXZKKBNFSA-N 2 0 331.485 3.025 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000270485365 455966552 /nfs/dbraw/zinc/96/65/52/455966552.db2.gz AFWWDTKXRQEZOG-UHFFFAOYSA-N 2 0 335.923 3.330 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000261900222 455967909 /nfs/dbraw/zinc/96/79/09/455967909.db2.gz YLILABTXCCXYBW-UHFFFAOYSA-N 2 0 326.400 3.272 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000272522232 455980380 /nfs/dbraw/zinc/98/03/80/455980380.db2.gz IAHHBLJXPMIMJL-INIZCTEOSA-N 2 0 329.488 3.196 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)c2coc(C[NH3+])c2)c2cccs2)CC1 ZINC000188031503 455982516 /nfs/dbraw/zinc/98/25/16/455982516.db2.gz NPNIUJVJCZJDQU-INIZCTEOSA-N 2 0 347.484 3.003 20 0 EGADRP C[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555426 455993240 /nfs/dbraw/zinc/99/32/40/455993240.db2.gz FXRMBFOWRJCLSP-SFHLNBCPSA-N 2 0 329.532 3.219 20 0 EGADRP FC(F)(F)COCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280648907 456023073 /nfs/dbraw/zinc/02/30/73/456023073.db2.gz ZYVFHIINGILGHR-CALCHBBNSA-N 2 0 342.405 3.019 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000262374953 456029471 /nfs/dbraw/zinc/02/94/71/456029471.db2.gz KORIAUQAQHDMIU-RYRKJORJSA-N 2 0 329.488 3.245 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272670626 456033865 /nfs/dbraw/zinc/03/38/65/456033865.db2.gz KJTUVIGVVPRSRQ-FDFHNCONSA-N 3 0 339.527 3.139 20 0 EGADRP [NH3+]C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccc2ccccc2c1 ZINC000262732344 456055583 /nfs/dbraw/zinc/05/55/83/456055583.db2.gz ICNFDKWGKAVPEP-LJQANCHMSA-N 2 0 339.483 3.255 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000280900016 456076230 /nfs/dbraw/zinc/07/62/30/456076230.db2.gz PRMJFLRSJHOIMC-PXNSSMCTSA-N 2 0 329.532 3.415 20 0 EGADRP C[C@@H]([NH2+]CCCOC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272847196 456088885 /nfs/dbraw/zinc/08/88/85/456088885.db2.gz SFRPQAWMCCBQMX-UYAOXDASSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@H]([NH2+]CCCOC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272847190 456089496 /nfs/dbraw/zinc/08/94/96/456089496.db2.gz SFRPQAWMCCBQMX-AZUAARDMSA-N 2 0 346.515 3.072 20 0 EGADRP CSC1(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000272863817 456094457 /nfs/dbraw/zinc/09/44/57/456094457.db2.gz VGSRDMVTBQUMMH-MJGOQNOKSA-N 2 0 348.556 3.399 20 0 EGADRP CSC1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000272863814 456095159 /nfs/dbraw/zinc/09/51/59/456095159.db2.gz VGSRDMVTBQUMMH-HKUYNNGSSA-N 2 0 348.556 3.399 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000263166136 456104397 /nfs/dbraw/zinc/10/43/97/456104397.db2.gz FEXPPQOOZAMFGD-ZJOUEHCJSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccccc1 ZINC000263319108 456126031 /nfs/dbraw/zinc/12/60/31/456126031.db2.gz ZXWUEYQVLOVEQV-KNBMTAEXSA-N 2 0 331.504 3.140 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000273024477 456149110 /nfs/dbraw/zinc/14/91/10/456149110.db2.gz XGNVHYSSAVGFOS-UTKZUKDTSA-N 2 0 340.442 3.169 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000289861403 456159403 /nfs/dbraw/zinc/15/94/03/456159403.db2.gz VXYGMLXINUVFQZ-LJQANCHMSA-N 2 0 336.520 3.306 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)C2([NH3+])CCCCC2)c2cccs2)CC1 ZINC000236650359 456164592 /nfs/dbraw/zinc/16/45/92/456164592.db2.gz KMMRIRGVGZDGLM-INIZCTEOSA-N 2 0 349.544 3.299 20 0 EGADRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1F ZINC000271206738 456173754 /nfs/dbraw/zinc/17/37/54/456173754.db2.gz KLQXFCWCTQVEDJ-UHFFFAOYSA-N 2 0 333.495 3.125 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000236877773 456196163 /nfs/dbraw/zinc/19/61/63/456196163.db2.gz HKLNTOYROXMQKF-DFQSSKMNSA-N 2 0 345.531 3.212 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000236917588 456200787 /nfs/dbraw/zinc/20/07/87/456200787.db2.gz FBLVUBXICUUPDR-PXNSSMCTSA-N 2 0 345.531 3.170 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000236922743 456202368 /nfs/dbraw/zinc/20/23/68/456202368.db2.gz MSGYLGJGTIXPBU-KRWDZBQOSA-N 2 0 345.531 3.170 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189042163 456209588 /nfs/dbraw/zinc/20/95/88/456209588.db2.gz UDKBVJMWXADLCX-HMXCVIKNSA-N 2 0 329.532 3.013 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000237152064 456239429 /nfs/dbraw/zinc/23/94/29/456239429.db2.gz CXKFTDBQMYBFLE-UXHICEINSA-N 2 0 343.515 3.195 20 0 EGADRP CCn1ccnc1[C@@H](C)[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000297598726 456260189 /nfs/dbraw/zinc/26/01/89/456260189.db2.gz HYKFRAAFQXFERB-OAHLLOKOSA-N 2 0 345.491 3.071 20 0 EGADRP CSc1cc2c(cc1CN1CCC[C@@H]3C[N@H+](C)CC[C@H]31)OCCO2 ZINC000290313748 456287192 /nfs/dbraw/zinc/28/71/92/456287192.db2.gz CJAUXBNOPHWQLP-GDBMZVCRSA-N 2 0 348.512 3.096 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)ccn1 ZINC000352767557 456289068 /nfs/dbraw/zinc/28/90/68/456289068.db2.gz MPNDXIDLFUVXMC-ARJAWSKDSA-N 2 0 347.409 3.103 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000290324891 456292695 /nfs/dbraw/zinc/29/26/95/456292695.db2.gz DIPWZPOJUKGWFW-UHFFFAOYSA-N 2 0 329.492 3.495 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1O ZINC000290329946 456293886 /nfs/dbraw/zinc/29/38/86/456293886.db2.gz KGMJYMDHJUYHPZ-GOEBONIOSA-N 2 0 348.487 3.152 20 0 EGADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cc(OC)c1O ZINC000290344461 456299431 /nfs/dbraw/zinc/29/94/31/456299431.db2.gz LLDRRMVSNQLPCS-UHFFFAOYSA-N 2 0 336.476 3.155 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000343047074 456369237 /nfs/dbraw/zinc/36/92/37/456369237.db2.gz VNOLRXAYODLSRW-QGZVFWFLSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000343055551 456376657 /nfs/dbraw/zinc/37/66/57/456376657.db2.gz ADXXYEXYILQFJE-MSOLQXFVSA-N 2 0 345.874 3.414 20 0 EGADRP C[C@@H](COc1cccc(F)c1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298313720 456422447 /nfs/dbraw/zinc/42/24/47/456422447.db2.gz IARZTOVJPUEZOY-HNNXBMFYSA-N 2 0 329.419 3.247 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncnc(N)c2Cl)CC1 ZINC000302883709 456425640 /nfs/dbraw/zinc/42/56/40/456425640.db2.gz JSIOEXBGFRNMDS-CYBMUJFWSA-N 2 0 337.899 3.193 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1OC ZINC000298473845 456467338 /nfs/dbraw/zinc/46/73/38/456467338.db2.gz ZLWJUVRIFIZVLD-HNNXBMFYSA-N 2 0 341.455 3.174 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000348100172 456478748 /nfs/dbraw/zinc/47/87/48/456478748.db2.gz FKDIERCERSCVDE-DLBZAZTESA-N 2 0 327.476 3.040 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353115073 456500195 /nfs/dbraw/zinc/50/01/95/456500195.db2.gz XEMKVXMCXPPMKF-ZDUSSCGKSA-N 2 0 332.411 3.303 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC(O)CC1)C1(c2ccccc2)CCCC1 ZINC000276505035 456501108 /nfs/dbraw/zinc/50/11/08/456501108.db2.gz YMBSZUYDTDAJIB-GOSISDBHSA-N 2 0 330.516 3.323 20 0 EGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000348126228 456501907 /nfs/dbraw/zinc/50/19/07/456501907.db2.gz PMYUTIWNFDMBSQ-CRAIPNDOSA-N 2 0 329.492 3.284 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187928 456524555 /nfs/dbraw/zinc/52/45/55/456524555.db2.gz QJUKWVSUVJPKRZ-YADHBBJMSA-N 2 0 341.543 3.459 20 0 EGADRP CCc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000307770144 456569876 /nfs/dbraw/zinc/56/98/76/456569876.db2.gz LUCJTNCYFPGWHX-HXUWFJFHSA-N 2 0 325.456 3.347 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000310868257 456584729 /nfs/dbraw/zinc/58/47/29/456584729.db2.gz YNECAMIORQELIC-YJBOKZPZSA-N 2 0 347.503 3.284 20 0 EGADRP CCCCOc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000340681041 456620512 /nfs/dbraw/zinc/62/05/12/456620512.db2.gz ZJTXHWPMCQLTGH-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000343438579 456621809 /nfs/dbraw/zinc/62/18/09/456621809.db2.gz FPSDQELLZPYJDP-XUVXKRRUSA-N 2 0 344.547 3.032 20 0 EGADRP CC[NH+]1CCC(NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000299347894 456664479 /nfs/dbraw/zinc/66/44/79/456664479.db2.gz MZDLARLJJJVFDK-NRFANRHFSA-N 2 0 345.531 3.296 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000325095001 456677982 /nfs/dbraw/zinc/67/79/82/456677982.db2.gz RENJFQRONOILKF-IBGZPJMESA-N 2 0 331.504 3.047 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000327270413 456704914 /nfs/dbraw/zinc/70/49/14/456704914.db2.gz DDUURINCRJLDRZ-FUMNGEBKSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@H]([NH2+][C@H]1COc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328215126 456711564 /nfs/dbraw/zinc/71/15/64/456711564.db2.gz JSFYFQYHGSHHAB-DZFGPLHGSA-N 2 0 336.479 3.490 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)cc1 ZINC000299578338 456733469 /nfs/dbraw/zinc/73/34/69/456733469.db2.gz CGPAPSQBLKIFBP-VQTJNVASSA-N 2 0 343.515 3.275 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CS1 ZINC000277228876 456734312 /nfs/dbraw/zinc/73/43/12/456734312.db2.gz MCGUGQNBQCTQIS-FHWLQOOXSA-N 2 0 348.556 3.263 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353554268 456756708 /nfs/dbraw/zinc/75/67/08/456756708.db2.gz VOJPDKHCLKQYOC-FQEVSTJZSA-N 2 0 332.463 3.056 20 0 EGADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343917247 456782252 /nfs/dbraw/zinc/78/22/52/456782252.db2.gz CUVSHJDVGYXPCN-QMMLZNLJSA-N 2 0 327.516 3.022 20 0 EGADRP COc1c(Br)cccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353616595 456805558 /nfs/dbraw/zinc/80/55/58/456805558.db2.gz BQDIRKBJWGXFLO-UHFFFAOYSA-N 2 0 341.293 3.420 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000338434427 456816831 /nfs/dbraw/zinc/81/68/31/456816831.db2.gz BMFRTFAFXQCDEW-MSOLQXFVSA-N 2 0 343.515 3.133 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)CC(F)(F)F)CC1 ZINC000353646582 456826776 /nfs/dbraw/zinc/82/67/76/456826776.db2.gz QJYOKTRNWCGUEI-CGZBRXJRSA-N 2 0 344.421 3.333 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000353660474 456838703 /nfs/dbraw/zinc/83/87/03/456838703.db2.gz UCEPZARNPKJIQP-UHFFFAOYSA-N 2 0 333.520 3.145 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000292078290 456848903 /nfs/dbraw/zinc/84/89/03/456848903.db2.gz LVOFWFGMJJNOLQ-FQEVSTJZSA-N 2 0 343.515 3.211 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000292173991 456876423 /nfs/dbraw/zinc/87/64/23/456876423.db2.gz WEWICQHTHQMMKM-IRXDYDNUSA-N 2 0 349.544 3.170 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)sc2C1 ZINC000349199077 456911392 /nfs/dbraw/zinc/91/13/92/456911392.db2.gz XYWBMGVCGAIWLY-GDBMZVCRSA-N 2 0 333.545 3.432 20 0 EGADRP CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971120 456984382 /nfs/dbraw/zinc/98/43/82/456984382.db2.gz IGELWSAVSVCKFM-MJGOQNOKSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+]1CCC(N(C)Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000346315532 457030166 /nfs/dbraw/zinc/03/01/66/457030166.db2.gz SVMBVYYIFXICDN-UHFFFAOYSA-N 2 0 326.444 3.185 20 0 EGADRP CC[C@H](C[NH2+][C@H]1CCCc2nn(C)cc21)N1CCc2ccccc2C1 ZINC000358911942 457034395 /nfs/dbraw/zinc/03/43/95/457034395.db2.gz DSWHDJORVMBUOT-QUCCMNQESA-N 2 0 338.499 3.224 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000354098159 457060851 /nfs/dbraw/zinc/06/08/51/457060851.db2.gz VDZKQQABEARMGN-IBGZPJMESA-N 2 0 334.504 3.407 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000339358979 457067229 /nfs/dbraw/zinc/06/72/29/457067229.db2.gz BJWLHZCYSRRODM-ICSRJNTNSA-N 2 0 345.531 3.278 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000346642341 457086409 /nfs/dbraw/zinc/08/64/09/457086409.db2.gz CCBGUTYMLDBNFA-UHFFFAOYSA-N 2 0 326.444 3.090 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000354148098 457094526 /nfs/dbraw/zinc/09/45/26/457094526.db2.gz HHQCSZMTXWWMOA-FQEVSTJZSA-N 2 0 345.531 3.135 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@H]21 ZINC000342091853 457103156 /nfs/dbraw/zinc/10/31/56/457103156.db2.gz CXRKVVKJGAACOX-HMXCVIKNSA-N 2 0 337.467 3.220 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]21 ZINC000342098737 457107224 /nfs/dbraw/zinc/10/72/24/457107224.db2.gz ISANXRKMNHTERL-HLAWJBBLSA-N 2 0 337.467 3.220 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000356686458 457118463 /nfs/dbraw/zinc/11/84/63/457118463.db2.gz XDHRJGRJZJJOST-INIZCTEOSA-N 2 0 343.515 3.033 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]21 ZINC000342127336 457122592 /nfs/dbraw/zinc/12/25/92/457122592.db2.gz MEYXHOGHWWOHGR-CWRNSKLLSA-N 2 0 328.378 3.187 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000339509615 457130007 /nfs/dbraw/zinc/13/00/07/457130007.db2.gz STEWAMHIMMAZHR-UHFFFAOYSA-N 2 0 348.384 3.169 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000356759003 457154511 /nfs/dbraw/zinc/15/45/11/457154511.db2.gz NCJMVGBJTYWQMB-PKOBYXMFSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000347090376 457224573 /nfs/dbraw/zinc/22/45/73/457224573.db2.gz FVXNMGOOGNFKEJ-NSHDSACASA-N 2 0 334.357 3.326 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000347090375 457224611 /nfs/dbraw/zinc/22/46/11/457224611.db2.gz FVXNMGOOGNFKEJ-LLVKDONJSA-N 2 0 334.357 3.326 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000360057797 457230506 /nfs/dbraw/zinc/23/05/06/457230506.db2.gz VVBZLBILMKUYMP-QGZVFWFLSA-N 2 0 327.472 3.368 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000360070663 457236890 /nfs/dbraw/zinc/23/68/90/457236890.db2.gz GPNMFXPDJDSVPT-IBGZPJMESA-N 2 0 341.499 3.447 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000347113871 457237047 /nfs/dbraw/zinc/23/70/47/457237047.db2.gz SFROADJYWGBXIT-MRXNPFEDSA-N 2 0 325.456 3.220 20 0 EGADRP CCCN(Cc1cnn(-c2ccc(Cl)cc2)c1)C1CC[NH2+]CC1 ZINC000347189351 457279804 /nfs/dbraw/zinc/27/98/04/457279804.db2.gz DFIYMENOVFKISS-UHFFFAOYSA-N 2 0 332.879 3.490 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000347192603 457280870 /nfs/dbraw/zinc/28/08/70/457280870.db2.gz GFJUUASODOADAH-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP Fc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000357076329 457308521 /nfs/dbraw/zinc/30/85/21/457308521.db2.gz IQGGDOLWQDCFFP-MRXNPFEDSA-N 2 0 329.419 3.302 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000360495638 457316878 /nfs/dbraw/zinc/31/68/78/457316878.db2.gz MIQJUSRCXCBBGB-INIZCTEOSA-N 2 0 332.488 3.379 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C2CCCC2)o1 ZINC000342490700 457332606 /nfs/dbraw/zinc/33/26/06/457332606.db2.gz OIZBBRRRESWICZ-FQEVSTJZSA-N 2 0 333.520 3.435 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000340114886 457337238 /nfs/dbraw/zinc/33/72/38/457337238.db2.gz CAGGFQAWLMXWMX-UXHICEINSA-N 2 0 345.531 3.442 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1Cl ZINC000342574671 457373987 /nfs/dbraw/zinc/37/39/87/457373987.db2.gz JKFIOVSFBCXDFM-AWEZNQCLSA-N 2 0 328.884 3.356 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000385804551 457429749 /nfs/dbraw/zinc/42/97/49/457429749.db2.gz MKLKRKGJOLNOLW-XEVCZEQESA-N 2 0 344.499 3.220 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352551408 457461348 /nfs/dbraw/zinc/46/13/48/457461348.db2.gz XMVFKFZAWPSWPR-OFLPRAFFSA-N 2 0 336.907 3.413 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347501397 457469362 /nfs/dbraw/zinc/46/93/62/457469362.db2.gz HTOVPWZDUVRFGH-QGZVFWFLSA-N 2 0 349.478 3.026 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000364113457 457483196 /nfs/dbraw/zinc/48/31/96/457483196.db2.gz DUEBTOVJXZUEMV-SFHVURJKSA-N 2 0 347.528 3.015 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000357384571 457485311 /nfs/dbraw/zinc/48/53/11/457485311.db2.gz FKXJMEFYQZSBBW-APWZRJJASA-N 2 0 331.504 3.129 20 0 EGADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000360986383 457491604 /nfs/dbraw/zinc/49/16/04/457491604.db2.gz KLFRBSQNFOLBPL-CYBMUJFWSA-N 2 0 337.464 3.178 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)cc2)C1 ZINC000342762713 457507134 /nfs/dbraw/zinc/50/71/34/457507134.db2.gz ZMGSXLZBHRNVTK-MDZRGWNJSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)cc2)C1 ZINC000342762707 457507384 /nfs/dbraw/zinc/50/73/84/457507384.db2.gz ZMGSXLZBHRNVTK-GJYPPUQNSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3ccncc3)c2)CC[N@@H+]1C ZINC000357414283 457507724 /nfs/dbraw/zinc/50/77/24/457507724.db2.gz MKTMJWCVEZLBLI-ZBFHGGJFSA-N 2 0 325.412 3.086 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000347586676 457529408 /nfs/dbraw/zinc/52/94/08/457529408.db2.gz VIRJVHYFUWFAFI-UHFFFAOYSA-N 2 0 343.515 3.168 20 0 EGADRP CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000347598009 457537801 /nfs/dbraw/zinc/53/78/01/457537801.db2.gz XFZASMBYMDGFDW-MJGOQNOKSA-N 2 0 345.531 3.054 20 0 EGADRP CO[C@H](C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000425483642 457572569 /nfs/dbraw/zinc/57/25/69/457572569.db2.gz RTGIFPZOYGHNHS-HXUWFJFHSA-N 2 0 328.500 3.400 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1C ZINC000357603945 457616956 /nfs/dbraw/zinc/61/69/56/457616956.db2.gz QRBXNSZYWLQLEH-VQIMIIECSA-N 2 0 325.456 3.151 20 0 EGADRP C[C@H](C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1)C[NH+](C)C ZINC000425942144 457657371 /nfs/dbraw/zinc/65/73/71/457657371.db2.gz DQROEJHOWJMCDP-VXGBXAGGSA-N 2 0 331.273 3.307 20 0 EGADRP Cc1ccccc1CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364646130 457664942 /nfs/dbraw/zinc/66/49/42/457664942.db2.gz MBCSZPLDDKDFFG-UHFFFAOYSA-N 2 0 343.559 3.277 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)c1ccccc1 ZINC000370624102 457685020 /nfs/dbraw/zinc/68/50/20/457685020.db2.gz GYAKSDGCYOCLGU-PKOBYXMFSA-N 2 0 329.532 3.111 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000357787413 457690089 /nfs/dbraw/zinc/69/00/89/457690089.db2.gz HQIAJQJHHCOOCK-UTKZUKDTSA-N 2 0 343.515 3.209 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000370654287 457691809 /nfs/dbraw/zinc/69/18/09/457691809.db2.gz XXOLHRPQAZDCIZ-GJYPPUQNSA-N 2 0 335.923 3.486 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361473367 457743672 /nfs/dbraw/zinc/74/36/72/457743672.db2.gz APVWVOBKEPTCRC-KSZLIROESA-N 2 0 337.552 3.122 20 0 EGADRP Cc1ccc2cc([C@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)oc2c1 ZINC000426015525 457760962 /nfs/dbraw/zinc/76/09/62/457760962.db2.gz GIPDZYKRBOKIFS-IRXDYDNUSA-N 2 0 329.488 3.418 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000361529297 457773622 /nfs/dbraw/zinc/77/36/22/457773622.db2.gz DJNQLTPAKCFLQU-IERDGZPVSA-N 2 0 344.499 3.163 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358085704 457777885 /nfs/dbraw/zinc/77/78/85/457777885.db2.gz NUNRMYDDOSTYBM-UWVAXJGDSA-N 2 0 332.536 3.460 20 0 EGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358111823 457791871 /nfs/dbraw/zinc/79/18/71/457791871.db2.gz NCWSTWYHLQVGLA-SQGPQFPESA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000426302032 457802849 /nfs/dbraw/zinc/80/28/49/457802849.db2.gz GVVJJLRXPHOKNX-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000358161861 457826884 /nfs/dbraw/zinc/82/68/84/457826884.db2.gz RMZPTCOIBOFADI-ZBFHGGJFSA-N 2 0 330.501 3.068 20 0 EGADRP COC[C@@H]1CCC[NH+](CC[C@@H](C)CC[N@H+]2CCC[C@H](COC)C2)C1 ZINC000411261601 457844151 /nfs/dbraw/zinc/84/41/51/457844151.db2.gz ATGSNNRTVMMVMB-OWZKRDHZSA-N 2 0 340.552 3.120 20 0 EGADRP OC1(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000411334801 457860132 /nfs/dbraw/zinc/86/01/32/457860132.db2.gz ZHIANYCGVVQREU-WOJBJXKFSA-N 2 0 328.500 3.278 20 0 EGADRP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375307710 457876353 /nfs/dbraw/zinc/87/63/53/457876353.db2.gz GMSBEVOHAQXEKA-MRXNPFEDSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000358325737 457934909 /nfs/dbraw/zinc/93/49/09/457934909.db2.gz YOSODJWUFNFJIR-FUHWJXTLSA-N 2 0 332.488 3.379 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000427161098 457951639 /nfs/dbraw/zinc/95/16/39/457951639.db2.gz DXBVILNJRCLLMH-YLJYHZDGSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000427273009 457969730 /nfs/dbraw/zinc/96/97/30/457969730.db2.gz KWRPQBAIDKOFKX-XEVCZEQESA-N 2 0 349.563 3.125 20 0 EGADRP CON1CCC([N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411819788 457985390 /nfs/dbraw/zinc/98/53/90/457985390.db2.gz QMZQYKTXANBRTH-UHFFFAOYSA-N 2 0 331.504 3.130 20 0 EGADRP C[C@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+]1CCCCCC1 ZINC000371554687 457985634 /nfs/dbraw/zinc/98/56/34/457985634.db2.gz SOXKZFWTSITJLM-OAHLLOKOSA-N 2 0 327.472 3.368 20 0 EGADRP CC[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+](CC)CC ZINC000434665972 458032313 /nfs/dbraw/zinc/03/23/13/458032313.db2.gz QHPJAROCXAIREN-RTBURBONSA-N 2 0 327.472 3.076 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503893 458043909 /nfs/dbraw/zinc/04/39/09/458043909.db2.gz HHGOKGGVZASROA-AWEZNQCLSA-N 2 0 335.879 3.051 20 0 EGADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000434788418 458050154 /nfs/dbraw/zinc/05/01/54/458050154.db2.gz YQKGPISQRYWNAC-HKUYNNGSSA-N 2 0 330.520 3.008 20 0 EGADRP Fc1ccc(-c2cc(CN3CC[C@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000371763369 458063419 /nfs/dbraw/zinc/06/34/19/458063419.db2.gz YFCGYLAFWNHTLN-OAHLLOKOSA-N 2 0 329.419 3.398 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccccc1-n1ccnn1 ZINC000375843646 458092309 /nfs/dbraw/zinc/09/23/09/458092309.db2.gz YUASJZOYYIBPNI-INIZCTEOSA-N 2 0 344.422 3.304 20 0 EGADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435368769 458120979 /nfs/dbraw/zinc/12/09/79/458120979.db2.gz IZJHFIULTVKFKK-CQSZACIVSA-N 2 0 338.377 3.062 20 0 EGADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000435372824 458122409 /nfs/dbraw/zinc/12/24/09/458122409.db2.gz SRPAAGUJPNXAFP-HKUYNNGSSA-N 2 0 339.483 3.447 20 0 EGADRP CC[C@@H]1C[C@H](C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000435371339 458122478 /nfs/dbraw/zinc/12/24/78/458122478.db2.gz MDNMSAVWPARXRE-MISYRCLQSA-N 2 0 331.504 3.231 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000435374261 458124666 /nfs/dbraw/zinc/12/46/66/458124666.db2.gz PRSSTWCPHDTOBB-QGZVFWFLSA-N 2 0 338.879 3.069 20 0 EGADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435382077 458129828 /nfs/dbraw/zinc/12/98/28/458129828.db2.gz XLTYVSSWMJUDAD-OAHLLOKOSA-N 2 0 343.858 3.373 20 0 EGADRP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435439988 458147735 /nfs/dbraw/zinc/14/77/35/458147735.db2.gz YIPFNPHYSGUVFW-LJQANCHMSA-N 2 0 325.456 3.235 20 0 EGADRP CCN(Cc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435627360 458176599 /nfs/dbraw/zinc/17/65/99/458176599.db2.gz QXXFPYGYPLUMJC-HNNXBMFYSA-N 2 0 334.851 3.354 20 0 EGADRP CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000435741026 458194905 /nfs/dbraw/zinc/19/49/05/458194905.db2.gz NFOKWWMEZUECBT-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000358758216 458197388 /nfs/dbraw/zinc/19/73/88/458197388.db2.gz PDVMBWATMAWHIC-IAGOWNOFSA-N 2 0 331.504 3.082 20 0 EGADRP CCSc1cccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372109638 458197423 /nfs/dbraw/zinc/19/74/23/458197423.db2.gz UNYHYSVBAIEBRU-KRWDZBQOSA-N 2 0 333.545 3.057 20 0 EGADRP C[N@H+](CCCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000412427095 458200653 /nfs/dbraw/zinc/20/06/53/458200653.db2.gz OKQJRVYPEYSFNP-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CCCN(CCC[NH2+]C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000435880438 458218644 /nfs/dbraw/zinc/21/86/44/458218644.db2.gz JEQNWQQSEZEWOM-UHFFFAOYSA-N 2 0 332.275 3.253 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000435892059 458219349 /nfs/dbraw/zinc/21/93/49/458219349.db2.gz IXDXIBMVVHPMIK-YRISNDGFSA-N 2 0 341.499 3.389 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1 ZINC000412556282 458232606 /nfs/dbraw/zinc/23/26/06/458232606.db2.gz DTIGQAXICRBVRB-UHFFFAOYSA-N 2 0 329.419 3.201 20 0 EGADRP Cc1cnccc1OC1CCN(Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000447093981 458265482 /nfs/dbraw/zinc/26/54/82/458265482.db2.gz OAEJPBGFXNTSMB-XMMPIXPASA-N 2 0 344.480 3.171 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000429055795 458268016 /nfs/dbraw/zinc/26/80/16/458268016.db2.gz OIYGMDQDINWPIG-UHFFFAOYSA-N 2 0 337.895 3.475 20 0 EGADRP c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(OC2CCC2)n1 ZINC000436470374 458308910 /nfs/dbraw/zinc/30/89/10/458308910.db2.gz KDKIBHRCTPRSTB-UHFFFAOYSA-N 2 0 338.455 3.167 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC000447561281 458311021 /nfs/dbraw/zinc/31/10/21/458311021.db2.gz HHUSSULXCXMOKE-RTWAWAEBSA-N 2 0 329.532 3.488 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCSCc1ccccc1 ZINC000376490011 458316540 /nfs/dbraw/zinc/31/65/40/458316540.db2.gz FWPFTAKVEALRBI-AABGKKOBSA-N 2 0 348.556 3.493 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000447900370 458364394 /nfs/dbraw/zinc/36/43/94/458364394.db2.gz BQRKJTJTMNCTPT-HXUWFJFHSA-N 2 0 329.532 3.361 20 0 EGADRP COCc1cc(CNCc2ccccc2C[NH+]2CCC(C)CC2)no1 ZINC000459464965 458379418 /nfs/dbraw/zinc/37/94/18/458379418.db2.gz MWCJQVDHEUYAIH-UHFFFAOYSA-N 2 0 343.471 3.343 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[C@@H]1SC ZINC000459469950 458382685 /nfs/dbraw/zinc/38/26/85/458382685.db2.gz TVGAOQSBJOTMJQ-KSIDHJATSA-N 2 0 326.550 3.138 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC3(CC3)C(=O)O2)CCN1Cc1ccccc1 ZINC000373037464 458382691 /nfs/dbraw/zinc/38/26/91/458382691.db2.gz WSAFMXFISXFSQI-BHIYHBOVSA-N 2 0 342.483 3.067 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000376882173 458414298 /nfs/dbraw/zinc/41/42/98/458414298.db2.gz OKILKSGLSUBJIA-DMKPSLHHSA-N 2 0 335.923 3.202 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423489112 458442175 /nfs/dbraw/zinc/44/21/75/458442175.db2.gz WAYFOBVFFNQPHD-KFKAGJAMSA-N 2 0 330.472 3.290 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423493717 458443713 /nfs/dbraw/zinc/44/37/13/458443713.db2.gz QVNFXOHZGZKCGU-WHOFXGATSA-N 2 0 333.867 3.007 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423511160 458447574 /nfs/dbraw/zinc/44/75/74/458447574.db2.gz NLWLAFAPPGYYHZ-CBNMVNINSA-N 2 0 329.532 3.060 20 0 EGADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C2CC3CC(C2)CC1C3 ZINC000423532170 458454152 /nfs/dbraw/zinc/45/41/52/458454152.db2.gz UYUHHHOQDTVBSH-CFLVEYTDSA-N 2 0 330.516 3.077 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423546580 458456392 /nfs/dbraw/zinc/45/63/92/458456392.db2.gz ZDEDSJDUCHIRKO-BHDDXSALSA-N 3 0 339.527 3.329 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000459745831 458465838 /nfs/dbraw/zinc/46/58/38/458465838.db2.gz YLBMRFWGQBMRFF-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP C[NH2+]C[C@@H]1CCCN([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612411 458471397 /nfs/dbraw/zinc/47/13/97/458471397.db2.gz RFECRGVXQYCDMA-KGLIPLIRSA-N 2 0 332.423 3.177 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@@H](C[NH3+])C1 ZINC000430617770 458471432 /nfs/dbraw/zinc/47/14/32/458471432.db2.gz OWAOEYXPPPBFNY-BBWFWOEESA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423797425 458485243 /nfs/dbraw/zinc/48/52/43/458485243.db2.gz MSYBDUHUWBJMGW-AZUAARDMSA-N 2 0 335.536 3.009 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000430736830 458486356 /nfs/dbraw/zinc/48/63/56/458486356.db2.gz VKSXJBCNARWUNW-NXHRZFHOSA-N 2 0 331.504 3.140 20 0 EGADRP Cn1c2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2nc1C1CC1 ZINC000423808900 458488333 /nfs/dbraw/zinc/48/83/33/458488333.db2.gz JETCGEIXLUTNPI-FQEVSTJZSA-N 2 0 334.423 3.263 20 0 EGADRP [NH3+]C[C@H]1CCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916369 458503935 /nfs/dbraw/zinc/50/39/35/458503935.db2.gz AFVDJIPRTQAHAR-CRAIPNDOSA-N 2 0 334.423 3.107 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000430944728 458508632 /nfs/dbraw/zinc/50/86/32/458508632.db2.gz URGCNEUHKIXFLH-FCEWJHQRSA-N 2 0 331.504 3.092 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000430971845 458512424 /nfs/dbraw/zinc/51/24/24/458512424.db2.gz PSAKSFXXPWFYJM-UHFFFAOYSA-N 2 0 337.467 3.370 20 0 EGADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)Cc1ccccc1 ZINC000468776353 458535924 /nfs/dbraw/zinc/53/59/24/458535924.db2.gz AYRNXYDXONLYIQ-NRSPTQNISA-N 2 0 331.548 3.259 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC[C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000438120845 458537155 /nfs/dbraw/zinc/53/71/55/458537155.db2.gz XJMDLCRETNZEFD-NJYVYQBISA-N 2 0 328.500 3.400 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000377833670 458544725 /nfs/dbraw/zinc/54/47/25/458544725.db2.gz FNSPLBKXHJYHDA-HLAWJBBLSA-N 2 0 344.499 3.161 20 0 EGADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000438216263 458549484 /nfs/dbraw/zinc/54/94/84/458549484.db2.gz OGPRWQARCILNQV-INIZCTEOSA-N 2 0 330.447 3.487 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@@H](C)C1 ZINC000424143913 458570376 /nfs/dbraw/zinc/57/03/76/458570376.db2.gz KDLHRRRJQDBANH-UHOSZYNNSA-N 2 0 337.552 3.253 20 0 EGADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000493901741 458596980 /nfs/dbraw/zinc/59/69/80/458596980.db2.gz WQSIBDSVZRDTFT-LAUBAEHRSA-N 2 0 342.483 3.493 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000424269168 458599047 /nfs/dbraw/zinc/59/90/47/458599047.db2.gz OULIKPCPQZGJFG-VXESANQCSA-N 2 0 344.499 3.350 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1csc(-c3ccccn3)n1)CC[NH2+]CC2 ZINC000424297400 458607773 /nfs/dbraw/zinc/60/77/73/458607773.db2.gz SNWCZGSQOVSXQM-AWEZNQCLSA-N 2 0 328.485 3.169 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431746527 458617279 /nfs/dbraw/zinc/61/72/79/458617279.db2.gz UVPXRJRFYUALGN-ZIFCJYIRSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000431773144 458621404 /nfs/dbraw/zinc/62/14/04/458621404.db2.gz AHFDVSYRUYRBDJ-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CCOc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OCC ZINC000424374598 458628211 /nfs/dbraw/zinc/62/82/11/458628211.db2.gz IHJHIMKWXSWOBH-MRXNPFEDSA-N 2 0 332.488 3.448 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000424424917 458639720 /nfs/dbraw/zinc/63/97/20/458639720.db2.gz IXAIGYHYBJFPTC-DNVCBOLYSA-N 2 0 340.471 3.267 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462793385 458655085 /nfs/dbraw/zinc/65/50/85/458655085.db2.gz UBECCCMOVBCCCM-UHFFFAOYSA-N 2 0 329.532 3.460 20 0 EGADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCc4ccc5c(c4)CCO5)C[C@H]3C2)cc1 ZINC000471028007 458676273 /nfs/dbraw/zinc/67/62/73/458676273.db2.gz KHBORBNEMVZYKU-SZPZYZBQSA-N 2 0 348.490 3.228 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)C(C)(C)C ZINC000463126875 458678584 /nfs/dbraw/zinc/67/85/84/458678584.db2.gz VVJMUESUAAWCRZ-OAHLLOKOSA-N 2 0 337.474 3.359 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@H]3CCC[C@H]([NH3+])C3)CC2)c(OC)c1 ZINC000530213707 458718275 /nfs/dbraw/zinc/71/82/75/458718275.db2.gz VKVUAERALDEIBL-HOTGVXAUSA-N 2 0 348.487 3.162 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1cccs1 ZINC000547430289 458739381 /nfs/dbraw/zinc/73/93/81/458739381.db2.gz TZRPBIDLBOSGHA-MRXNPFEDSA-N 2 0 337.533 3.122 20 0 EGADRP CCN(CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1)CC(F)(F)F ZINC000547786435 458792869 /nfs/dbraw/zinc/79/28/69/458792869.db2.gz HABHWDMAHXUDCN-UHFFFAOYSA-N 2 0 337.474 3.313 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000495088739 458798509 /nfs/dbraw/zinc/79/85/09/458798509.db2.gz MRHUYWCRESHKRT-ILXRZTDVSA-N 2 0 337.870 3.274 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000473509954 458832701 /nfs/dbraw/zinc/83/27/01/458832701.db2.gz SIZUWJZWIJSDKB-IBGZPJMESA-N 2 0 331.504 3.430 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000457134096 458878963 /nfs/dbraw/zinc/87/89/63/458878963.db2.gz VTCONVAXFISGIQ-IBGZPJMESA-N 2 0 331.504 3.083 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H]1C ZINC000474479924 458888330 /nfs/dbraw/zinc/88/83/30/458888330.db2.gz TUNIFJWKCAIJPT-QQXKLLMISA-N 2 0 338.536 3.312 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000518777390 458892988 /nfs/dbraw/zinc/89/29/88/458892988.db2.gz DHDXKNSOYVUDCG-UHFFFAOYSA-N 2 0 337.467 3.441 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CCSCC1 ZINC000474720128 458897986 /nfs/dbraw/zinc/89/79/86/458897986.db2.gz OYVMMRSKADPYOV-INIZCTEOSA-N 2 0 336.545 3.291 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000474882048 458904145 /nfs/dbraw/zinc/90/41/45/458904145.db2.gz XUGAZSUCALAYJO-MJGOQNOKSA-N 2 0 346.515 3.466 20 0 EGADRP Cc1cc2ncn(C[C@@H](O)C[NH+]3CC4(C3)CCCCC4)c2cc1C ZINC000519037175 458909787 /nfs/dbraw/zinc/90/97/87/458909787.db2.gz SOZWFSIMCRQIOB-KRWDZBQOSA-N 2 0 327.472 3.280 20 0 EGADRP Cc1cc2cc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)oc2cc1C ZINC000441325194 458919408 /nfs/dbraw/zinc/91/94/08/458919408.db2.gz BTKFKVUZOXOERI-UHFFFAOYSA-N 2 0 329.488 3.165 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3COc4ccccc4C3)C2)cc1 ZINC000556075661 458925896 /nfs/dbraw/zinc/92/58/96/458925896.db2.gz BVGTXNZEVJOSIC-CTNGQTDRSA-N 2 0 336.479 3.144 20 0 EGADRP Cc1nc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000566496589 458947633 /nfs/dbraw/zinc/94/76/33/458947633.db2.gz JPXHJYFOVRMZJH-HNAYVOBHSA-N 2 0 326.488 3.417 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000467194110 458957423 /nfs/dbraw/zinc/95/74/23/458957423.db2.gz GHSDHOVOINRWEO-OALUTQOASA-N 2 0 338.536 3.301 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000519529871 458957508 /nfs/dbraw/zinc/95/75/08/458957508.db2.gz YHGCMLDZXHPUKI-RDJZCZTQSA-N 2 0 344.503 3.181 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000531702688 458964435 /nfs/dbraw/zinc/96/44/35/458964435.db2.gz HQDGFGDTYKHVOQ-IERDGZPVSA-N 2 0 347.522 3.312 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495817423 458966246 /nfs/dbraw/zinc/96/62/46/458966246.db2.gz FWGLMOKHXRREKC-IKGGRYGDSA-N 2 0 341.540 3.388 20 0 EGADRP CCN(CCO)CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556573483 458973771 /nfs/dbraw/zinc/97/37/71/458973771.db2.gz KICSHNMOEGZHRX-SJORKVTESA-N 2 0 344.421 3.245 20 0 EGADRP CCC(CC)(CNC(=O)N(C)CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000476046391 458975849 /nfs/dbraw/zinc/97/58/49/458975849.db2.gz CGYXWVHRUUAWHF-KRWDZBQOSA-N 2 0 348.535 3.099 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000495863816 458982536 /nfs/dbraw/zinc/98/25/36/458982536.db2.gz FTDFXIUFUMHRRP-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)cc1 ZINC000442756917 459031685 /nfs/dbraw/zinc/03/16/85/459031685.db2.gz LARHRMHVCUMVMH-ULQDDVLXSA-N 2 0 326.444 3.391 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000556963713 459038660 /nfs/dbraw/zinc/03/86/60/459038660.db2.gz YNSKSLYXWXRVFQ-WOJBJXKFSA-N 2 0 332.488 3.194 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000557052268 459046435 /nfs/dbraw/zinc/04/64/35/459046435.db2.gz TZUXGFQYJIIUJS-OAHLLOKOSA-N 2 0 344.503 3.312 20 0 EGADRP Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000532250019 459053437 /nfs/dbraw/zinc/05/34/37/459053437.db2.gz NPZXQIKBOJAHBM-LAUBAEHRSA-N 2 0 342.483 3.320 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000442918532 459059400 /nfs/dbraw/zinc/05/94/00/459059400.db2.gz HETXZYIQBUYZNI-CYBMUJFWSA-N 2 0 345.468 3.100 20 0 EGADRP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064786 459081567 /nfs/dbraw/zinc/08/15/67/459081567.db2.gz YWSVGHUYFYXCMN-DZGCQCFKSA-N 2 0 348.878 3.436 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000443065668 459082181 /nfs/dbraw/zinc/08/21/81/459082181.db2.gz CLKCCNYTVGCOIW-FXAWDEMLSA-N 2 0 337.467 3.427 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443069335 459082373 /nfs/dbraw/zinc/08/23/73/459082373.db2.gz JQEHIHQPEBCQRK-QWHCGFSZSA-N 2 0 343.393 3.093 20 0 EGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443069332 459083070 /nfs/dbraw/zinc/08/30/70/459083070.db2.gz JQEHIHQPEBCQRK-CHWSQXEVSA-N 2 0 343.393 3.093 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443069338 459083246 /nfs/dbraw/zinc/08/32/46/459083246.db2.gz JQEHIHQPEBCQRK-STQMWFEESA-N 2 0 343.393 3.093 20 0 EGADRP Cc1cccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000567456307 459109219 /nfs/dbraw/zinc/10/92/19/459109219.db2.gz HZQLJXLITKWSQL-DLBZAZTESA-N 2 0 326.444 3.009 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496288939 459136363 /nfs/dbraw/zinc/13/63/63/459136363.db2.gz CAJGLIBQNYUVBI-LJQANCHMSA-N 2 0 339.524 3.098 20 0 EGADRP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000479559614 459149187 /nfs/dbraw/zinc/14/91/87/459149187.db2.gz VUFWPZDBFOUZBX-LIRRHRJNSA-N 2 0 334.891 3.418 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000521422501 459150490 /nfs/dbraw/zinc/15/04/90/459150490.db2.gz KOIIOSGFZANVRH-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000578349622 459186546 /nfs/dbraw/zinc/18/65/46/459186546.db2.gz IRTDKDIUMXKCLY-XLIONFOSSA-N 2 0 348.531 3.145 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000568007439 459207186 /nfs/dbraw/zinc/20/71/86/459207186.db2.gz LXJMDXKBKWJWPS-UHFFFAOYSA-N 2 0 325.456 3.221 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CN1C(=O)OC(C)(C)C ZINC000496478030 459207351 /nfs/dbraw/zinc/20/73/51/459207351.db2.gz XOWZGSBUEUWGFD-HOTGVXAUSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000568078290 459223415 /nfs/dbraw/zinc/22/34/15/459223415.db2.gz MGTPAOMGINUTGT-UKRRQHHQSA-N 2 0 346.437 3.175 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000522208526 459227007 /nfs/dbraw/zinc/22/70/07/459227007.db2.gz WWKUTZKSDCVYEK-SFHVURJKSA-N 2 0 335.536 3.166 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000481164876 459235826 /nfs/dbraw/zinc/23/58/26/459235826.db2.gz AWBSGPOGXZPPBY-RLLQIKCJSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH]c3nccnc23)C[N@@H+]1Cc1ccccc1 ZINC000568337489 459269503 /nfs/dbraw/zinc/26/95/03/459269503.db2.gz MNRSXOJRZAVGFF-AEFFLSMTSA-N 2 0 349.482 3.300 20 0 EGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000533867164 459274352 /nfs/dbraw/zinc/27/43/52/459274352.db2.gz SPMWKDJPVAUITJ-MRXNPFEDSA-N 2 0 338.480 3.457 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC=C(C)CC3)cc2)CC1 ZINC000559893342 459283267 /nfs/dbraw/zinc/28/32/67/459283267.db2.gz ITTQLAIPJRWIBE-NRFANRHFSA-N 2 0 327.516 3.413 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000582117299 459310400 /nfs/dbraw/zinc/31/04/00/459310400.db2.gz LCULNXAZGULDJE-QUCCMNQESA-N 2 0 348.531 3.145 20 0 EGADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000568901182 459364499 /nfs/dbraw/zinc/36/44/99/459364499.db2.gz OMVSQQKAAUBDKL-HRCADAONSA-N 2 0 329.410 3.168 20 0 EGADRP Fc1ccc(-c2noc([C@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000582537135 459381848 /nfs/dbraw/zinc/38/18/48/459381848.db2.gz PGBWSAJVAIMLLZ-HOCLYGCPSA-N 2 0 344.434 3.055 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000569101334 459395715 /nfs/dbraw/zinc/39/57/15/459395715.db2.gz JPSBCTQARRAGEB-BWPNAZKDSA-N 2 0 343.515 3.330 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCc2ccc(C)cc2C)CC[NH2+]CC1 ZINC000591567552 459402986 /nfs/dbraw/zinc/40/29/86/459402986.db2.gz PXTIRXGHZZRREB-GOSISDBHSA-N 2 0 346.515 3.147 20 0 EGADRP Cc1ccccc1[C@H]1CN(C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331177 459432943 /nfs/dbraw/zinc/43/29/43/459432943.db2.gz KRLDLWPPZMGMJB-FXAWDEMLSA-N 2 0 328.431 3.250 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469099 459457221 /nfs/dbraw/zinc/45/72/21/459457221.db2.gz NBYWKOLKHBTJHZ-WOJBJXKFSA-N 2 0 348.437 3.151 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495583 459461852 /nfs/dbraw/zinc/46/18/52/459461852.db2.gz HHPATHVIQKDGSI-CVEARBPZSA-N 2 0 339.439 3.229 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000525875148 459508970 /nfs/dbraw/zinc/50/89/70/459508970.db2.gz CSXCHWBPVXJOHM-FXAWDEMLSA-N 2 0 333.495 3.030 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000542501684 459562991 /nfs/dbraw/zinc/56/29/91/459562991.db2.gz CMMOXCHSEISZQW-HZPDHXFCSA-N 2 0 333.520 3.399 20 0 EGADRP Cc1cccc(CC[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000562515860 459575957 /nfs/dbraw/zinc/57/59/57/459575957.db2.gz MYAKQYXFYWARPU-JOCHJYFZSA-N 2 0 337.511 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000583692567 459581508 /nfs/dbraw/zinc/58/15/08/459581508.db2.gz NTKFCPRFTKUKMT-HNNXBMFYSA-N 2 0 343.393 3.366 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(Cl)cc2F)CC1 ZINC000527105105 459591879 /nfs/dbraw/zinc/59/18/79/459591879.db2.gz IKUCMJVKXSWMRM-UHFFFAOYSA-N 2 0 334.826 3.238 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000562626680 459605603 /nfs/dbraw/zinc/60/56/03/459605603.db2.gz WOCUCCFVGWRODZ-STQMWFEESA-N 2 0 345.409 3.210 20 0 EGADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1cccc(C[NH+]2CCCC2)c1 ZINC000583933214 459620571 /nfs/dbraw/zinc/62/05/71/459620571.db2.gz HZESYVDULUZNGX-UHFFFAOYSA-N 2 0 335.451 3.180 20 0 EGADRP Fc1c(Br)ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000527638565 459680211 /nfs/dbraw/zinc/68/02/11/459680211.db2.gz VMMHWKPJKPLOKW-RYUDHWBXSA-N 2 0 345.231 3.444 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccsc1 ZINC000563060444 459708255 /nfs/dbraw/zinc/70/82/55/459708255.db2.gz GMBSMFWRCSISDG-HYVNUMGLSA-N 2 0 337.533 3.155 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCN2C2CCCC2)CC1 ZINC000527804902 459741638 /nfs/dbraw/zinc/74/16/38/459741638.db2.gz CMSONUJPHIBCKP-SFHVURJKSA-N 2 0 335.536 3.020 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH2+][C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000563270846 459751733 /nfs/dbraw/zinc/75/17/33/459751733.db2.gz CUFSDXKADRJCJO-NRFANRHFSA-N 2 0 340.515 3.299 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000544378894 459753007 /nfs/dbraw/zinc/75/30/07/459753007.db2.gz NRGBLLWCCQBDLU-MRXNPFEDSA-N 2 0 325.541 3.027 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1(C)C ZINC000527891796 459766680 /nfs/dbraw/zinc/76/66/80/459766680.db2.gz DDSLMUDPXIRZEN-QGZVFWFLSA-N 2 0 339.886 3.082 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000527998524 459791522 /nfs/dbraw/zinc/79/15/22/459791522.db2.gz IPRYELDGRQKSBW-CDHQVMDDSA-N 2 0 341.499 3.183 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000574334282 459806977 /nfs/dbraw/zinc/80/69/77/459806977.db2.gz AYOHYXJWCINLFB-KLHFOMLHSA-N 2 0 325.431 3.493 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000566118997 459809351 /nfs/dbraw/zinc/80/93/51/459809351.db2.gz MXODKUOYEVMGEQ-MJGOQNOKSA-N 2 0 348.531 3.045 20 0 EGADRP C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000566208810 459822763 /nfs/dbraw/zinc/82/27/63/459822763.db2.gz NUBJDCXMWMTXHN-YOEHRIQHSA-N 2 0 326.444 3.188 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC000545308656 459823231 /nfs/dbraw/zinc/82/32/31/459823231.db2.gz UNKCNZZGVGEIMZ-HXUWFJFHSA-N 2 0 345.531 3.369 20 0 EGADRP CC[C@@H]([NH3+])C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000566249998 459828852 /nfs/dbraw/zinc/82/88/52/459828852.db2.gz YTUHCPSCYCWKET-OAHLLOKOSA-N 2 0 346.302 3.011 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)c2ccccc21 ZINC000593324751 459843491 /nfs/dbraw/zinc/84/34/91/459843491.db2.gz ZJVRMLWNINYSSE-RTBURBONSA-N 2 0 330.472 3.148 20 0 EGADRP CC1=CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000545865177 459862979 /nfs/dbraw/zinc/86/29/79/459862979.db2.gz FXFANJKBIRTSPZ-FDFHNCONSA-N 2 0 339.527 3.139 20 0 EGADRP C[N@H+](CCC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000546016811 459888694 /nfs/dbraw/zinc/88/86/94/459888694.db2.gz ZVSWHQRCQPDFKW-UHFFFAOYSA-N 2 0 335.536 3.118 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000575224501 459951067 /nfs/dbraw/zinc/95/10/67/459951067.db2.gz BFEUGFBDYVOJCA-UHFFFAOYSA-N 2 0 340.870 3.066 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000589143374 460039174 /nfs/dbraw/zinc/03/91/74/460039174.db2.gz LPEPOHXBPNIACV-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CC(Cc3ccsc3)C2)cc1 ZINC000621741300 460043256 /nfs/dbraw/zinc/04/32/56/460043256.db2.gz LNPZBQAKTMTHIU-UHFFFAOYSA-N 2 0 330.497 3.363 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402209 460134094 /nfs/dbraw/zinc/13/40/94/460134094.db2.gz CLVRFKHDSSSAPT-GOSISDBHSA-N 2 0 335.561 3.296 20 0 EGADRP CC(C)(C)OC(=O)CCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847211 460157941 /nfs/dbraw/zinc/15/79/41/460157941.db2.gz UOLDPOKITNZEDY-UHFFFAOYSA-N 2 0 333.476 3.106 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000622063958 460177019 /nfs/dbraw/zinc/17/70/19/460177019.db2.gz OTIICLOUQPJEJF-UHFFFAOYSA-N 2 0 335.492 3.116 20 0 EGADRP CC1(C)CCC[N@H+](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000622558870 460277008 /nfs/dbraw/zinc/27/70/08/460277008.db2.gz ADPPPRPTTROTGR-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1 ZINC000615310340 460307704 /nfs/dbraw/zinc/30/77/04/460307704.db2.gz VWNTXUSDKMSTLZ-APWZRJJASA-N 2 0 331.504 3.083 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+](CC)CC ZINC000615445151 460329480 /nfs/dbraw/zinc/32/94/80/460329480.db2.gz JKSKNAGEJUKRBI-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](CCc3cnccn3)CC2)c1C ZINC000631535533 460431443 /nfs/dbraw/zinc/43/14/43/460431443.db2.gz YSZCLDHSRSPBER-UHFFFAOYSA-N 2 0 347.466 3.006 20 0 EGADRP c1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(C[NH+]2CCCC2)c1 ZINC000631566497 460445372 /nfs/dbraw/zinc/44/53/72/460445372.db2.gz ADTNOPQGQXWJLW-UFYCRDLUSA-N 2 0 326.484 3.330 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000631565332 460445887 /nfs/dbraw/zinc/44/58/87/460445887.db2.gz HYSKIDYNQPUPLB-QGZVFWFLSA-N 2 0 342.531 3.105 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(OC)ccc32)[C@H](C)C1 ZINC000631579933 460454835 /nfs/dbraw/zinc/45/48/35/460454835.db2.gz CRNMNESNZWNUIM-TYCQWZJGSA-N 2 0 346.515 3.409 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000634732714 460497795 /nfs/dbraw/zinc/49/77/95/460497795.db2.gz MWSBIQNDEZBGOK-INIZCTEOSA-N 2 0 326.444 3.137 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000634733103 460498394 /nfs/dbraw/zinc/49/83/94/460498394.db2.gz XBLGHJRELRCMMH-CQSZACIVSA-N 2 0 330.394 3.496 20 0 EGADRP C[C@@H]1CN(CCC[NH2+]Cc2csc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000623344868 460500855 /nfs/dbraw/zinc/50/08/55/460500855.db2.gz GVPKQQYILCPPSQ-TXEJJXNPSA-N 2 0 336.423 3.356 20 0 EGADRP CC(C)[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667363 460501478 /nfs/dbraw/zinc/50/14/78/460501478.db2.gz OIZRELGRSLRZNZ-AZUAARDMSA-N 2 0 329.532 3.217 20 0 EGADRP CN(C)c1c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc(F)c1F ZINC000623347536 460502121 /nfs/dbraw/zinc/50/21/21/460502121.db2.gz DAMYYZZSLBNWJB-UHFFFAOYSA-N 2 0 333.426 3.382 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1csc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000623353139 460505584 /nfs/dbraw/zinc/50/55/84/460505584.db2.gz BDLRPNVKJCMCAA-AWEZNQCLSA-N 2 0 349.466 3.129 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000631748532 460543331 /nfs/dbraw/zinc/54/33/31/460543331.db2.gz HITXCNBKLDDONK-HXUWFJFHSA-N 2 0 329.532 3.422 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(C[NH+](C)C)CC3)cc2)C1 ZINC000635348351 460750544 /nfs/dbraw/zinc/75/05/44/460750544.db2.gz FYWCZKLEMPWEDO-MRXNPFEDSA-N 2 0 329.488 3.199 20 0 EGADRP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000623893221 460764701 /nfs/dbraw/zinc/76/47/01/460764701.db2.gz JHUCAVLRJGGMAN-VQTJNVASSA-N 2 0 329.532 3.156 20 0 EGADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629531948 460798068 /nfs/dbraw/zinc/79/80/68/460798068.db2.gz FRZKBACFQHMKBI-KBPBESRZSA-N 2 0 327.394 3.312 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561982 460808638 /nfs/dbraw/zinc/80/86/38/460808638.db2.gz MBWSYYGJJBCLRQ-IRXDYDNUSA-N 2 0 344.421 3.095 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCCN2CC(F)F)CC1 ZINC000624095865 460858872 /nfs/dbraw/zinc/85/88/72/460858872.db2.gz NZJNUICKXREAEB-NXHRZFHOSA-N 2 0 343.506 3.349 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)C1CC[NH+](C)CC1 ZINC000627616080 460860478 /nfs/dbraw/zinc/86/04/78/460860478.db2.gz AIWYMEMTLYRBLU-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)c1 ZINC000624120192 460868188 /nfs/dbraw/zinc/86/81/88/460868188.db2.gz UGDKPXPLLCQXHA-ROUUACIJSA-N 2 0 331.504 3.342 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000624121125 460870490 /nfs/dbraw/zinc/87/04/90/460870490.db2.gz OORMREBVQNJWIP-NRSPTQNISA-N 2 0 329.532 3.219 20 0 EGADRP [NH3+]C[C@@H](CO)Cc1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000629697258 460871122 /nfs/dbraw/zinc/87/11/22/460871122.db2.gz YGWJLWVXMISGLT-FQEVSTJZSA-N 2 0 338.495 3.449 20 0 EGADRP COc1cccc(OC)c1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000629709651 460882033 /nfs/dbraw/zinc/88/20/33/460882033.db2.gz CKRZFWZDWQJXFW-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000632951338 460903646 /nfs/dbraw/zinc/90/36/46/460903646.db2.gz SXZQKCSPAGNSSS-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)C1CC[NH+](C)CC1 ZINC000624224865 460919305 /nfs/dbraw/zinc/91/93/05/460919305.db2.gz CCPSVQMAUPAYHN-CJNGLKHVSA-N 2 0 339.886 3.378 20 0 EGADRP O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000624259525 460934221 /nfs/dbraw/zinc/93/42/21/460934221.db2.gz OIRHWRZVPKBSLO-XUVXKRRUSA-N 2 0 337.467 3.178 20 0 EGADRP CCOc1cncc(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000621338696 460996099 /nfs/dbraw/zinc/99/60/99/460996099.db2.gz IPPJLFSSYIIHHK-KRWDZBQOSA-N 2 0 327.472 3.481 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000628186435 461038031 /nfs/dbraw/zinc/03/80/31/461038031.db2.gz KOFYFDMNWSFHKB-UHFFFAOYSA-N 2 0 335.492 3.122 20 0 EGADRP C[NH+](C)CC1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000636124568 461047638 /nfs/dbraw/zinc/04/76/38/461047638.db2.gz ZEOZGLKBUWEZCV-UHFFFAOYSA-N 2 0 347.528 3.155 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000628203299 461047838 /nfs/dbraw/zinc/04/78/38/461047838.db2.gz BNKIMXXFCXXORP-GOSISDBHSA-N 2 0 338.499 3.035 20 0 EGADRP CN(C)c1c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc(F)c1F ZINC000628280295 461071886 /nfs/dbraw/zinc/07/18/86/461071886.db2.gz ZHIUNQTWSASEQJ-HNNXBMFYSA-N 2 0 337.458 3.195 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](CCc1cccc(C(F)(F)F)c1)CCO2 ZINC000628322959 461087922 /nfs/dbraw/zinc/08/79/22/461087922.db2.gz ULZDHAHJBZIXPY-UHFFFAOYSA-N 2 0 342.405 3.045 20 0 EGADRP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652347228 461141255 /nfs/dbraw/zinc/14/12/55/461141255.db2.gz WPXOVOAZSWRVJJ-ZVDOUQERSA-N 2 0 346.515 3.291 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000637955796 461150864 /nfs/dbraw/zinc/15/08/64/461150864.db2.gz NHMLDFDEOXAREC-SFHVURJKSA-N 2 0 332.488 3.497 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000662273026 461160040 /nfs/dbraw/zinc/16/00/40/461160040.db2.gz JMYNAAOGVFAMLP-SJORKVTESA-N 2 0 341.455 3.172 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000662283646 461165757 /nfs/dbraw/zinc/16/57/57/461165757.db2.gz CIFWRAKTSXQCGC-DAYGRLMNSA-N 2 0 345.512 3.057 20 0 EGADRP CCC[C@H]([NH3+])c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179866 461166973 /nfs/dbraw/zinc/16/69/73/461166973.db2.gz UMVBRSODUTVSKN-SFHVURJKSA-N 2 0 327.476 3.112 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1C ZINC000662291266 461167130 /nfs/dbraw/zinc/16/71/30/461167130.db2.gz RAJAFNCNTSFUEW-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292217 461171091 /nfs/dbraw/zinc/17/10/91/461171091.db2.gz CDGDMXKYZKHEMN-LPHOPBHVSA-N 2 0 343.515 3.288 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297449 461176461 /nfs/dbraw/zinc/17/64/61/461176461.db2.gz QELHCPUWBIQFEX-GDBMZVCRSA-N 2 0 349.906 3.379 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000662347603 461203133 /nfs/dbraw/zinc/20/31/33/461203133.db2.gz IDJCTJAJXHPBIP-RTWAWAEBSA-N 2 0 349.478 3.174 20 0 EGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc2c1C[NH2+]C2 ZINC000662356427 461206662 /nfs/dbraw/zinc/20/66/62/461206662.db2.gz QHQRRWZFGPBTCN-UHFFFAOYSA-N 2 0 349.478 3.206 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662492602 461268452 /nfs/dbraw/zinc/26/84/52/461268452.db2.gz MNPBCXHUDMCXEF-VQIMIIECSA-N 2 0 349.478 3.073 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668511236 461309308 /nfs/dbraw/zinc/30/93/08/461309308.db2.gz DRCVDYZLEPJFDB-QGZVFWFLSA-N 2 0 339.483 3.220 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000652713708 461326766 /nfs/dbraw/zinc/32/67/66/461326766.db2.gz VLTISMJXJZPNRP-GUDVDZBRSA-N 2 0 345.531 3.228 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)C1 ZINC000662676493 461343007 /nfs/dbraw/zinc/34/30/07/461343007.db2.gz XJXWTHJTMBJVNI-YJBOKZPZSA-N 2 0 329.488 3.245 20 0 EGADRP COc1ccc([C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C(C)C)cc1 ZINC000638310594 461360395 /nfs/dbraw/zinc/36/03/95/461360395.db2.gz QJURJCHNTJURHL-LJQANCHMSA-N 2 0 334.504 3.217 20 0 EGADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641799187 461377042 /nfs/dbraw/zinc/37/70/42/461377042.db2.gz OBCNGFSJKJQIFH-ZWKOTPCHSA-N 2 0 325.456 3.472 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nsc3ccccc32)C1 ZINC000641818385 461388165 /nfs/dbraw/zinc/38/81/65/461388165.db2.gz DBNIOLOLFBOTPU-XOKHGSTOSA-N 2 0 331.485 3.157 20 0 EGADRP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397898 /nfs/dbraw/zinc/39/78/98/461397898.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 2 0 327.516 3.286 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668740171 461409662 /nfs/dbraw/zinc/40/96/62/461409662.db2.gz QUDQKFSAOKBVKB-ACRUOGEOSA-N 2 0 328.500 3.028 20 0 EGADRP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000655756472 461421887 /nfs/dbraw/zinc/42/18/87/461421887.db2.gz SSOCUCXIOQNWNU-UHFFFAOYSA-N 2 0 330.863 3.186 20 0 EGADRP CN(CC[NH+]1CCCCC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000652989805 461443712 /nfs/dbraw/zinc/44/37/12/461443712.db2.gz VJDHNKSZDXEGGJ-UHFFFAOYSA-N 2 0 343.471 3.052 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666095894 461453695 /nfs/dbraw/zinc/45/36/95/461453695.db2.gz AYMZGYIEPAEVBZ-MRXNPFEDSA-N 2 0 336.907 3.022 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C)[C@H]1CC1(C)C ZINC000666136167 461467410 /nfs/dbraw/zinc/46/74/10/461467410.db2.gz SGCOTIMAUWPABD-YYAJDYIMSA-N 2 0 344.503 3.029 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000638553866 461480657 /nfs/dbraw/zinc/48/06/57/461480657.db2.gz UGRGFOKUSXHJFH-TZIWHRDSSA-N 2 0 347.547 3.016 20 0 EGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1Sc2ccccc2NC1=O ZINC000659998902 461537089 /nfs/dbraw/zinc/53/70/89/461537089.db2.gz ZHTKWSNVRVLLRW-VKJFTORMSA-N 2 0 345.512 3.048 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638700546 461543561 /nfs/dbraw/zinc/54/35/61/461543561.db2.gz ZFENKTJMTQGCPL-LJQANCHMSA-N 2 0 336.495 3.218 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000647179926 461547589 /nfs/dbraw/zinc/54/75/89/461547589.db2.gz WAQGKLMIYMFKEG-MRXNPFEDSA-N 2 0 330.476 3.199 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663344382 461571837 /nfs/dbraw/zinc/57/18/37/461571837.db2.gz SKRUAYSCXUQXCW-FXAWDEMLSA-N 2 0 346.515 3.312 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)s2)cn1 ZINC000663343777 461572181 /nfs/dbraw/zinc/57/21/81/461572181.db2.gz FEWUDOWJIHFOID-INIZCTEOSA-N 2 0 344.528 3.360 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1n1ccnc1 ZINC000660112294 461586567 /nfs/dbraw/zinc/58/65/67/461586567.db2.gz JOKHCUQDQFNHME-KURKYZTESA-N 2 0 346.519 3.051 20 0 EGADRP CO[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000638837600 461608244 /nfs/dbraw/zinc/60/82/44/461608244.db2.gz VEYMKBCMAYNTTC-NRFANRHFSA-N 2 0 339.483 3.145 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCC2 ZINC000647291286 461618110 /nfs/dbraw/zinc/61/81/10/461618110.db2.gz LPIXMHVHVGEQGA-HXUWFJFHSA-N 2 0 347.572 3.402 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000656195735 461642420 /nfs/dbraw/zinc/64/24/20/461642420.db2.gz FJTXRIAXCFDLKA-RBSFLKMASA-N 2 0 327.394 3.144 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663465356 461655009 /nfs/dbraw/zinc/65/50/09/461655009.db2.gz JIMCCEGDLQICAB-ZFWWWQNUSA-N 2 0 329.444 3.306 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663467095 461658281 /nfs/dbraw/zinc/65/82/81/461658281.db2.gz ZNFLTCXTWJPTFO-OTWHNJEPSA-N 2 0 330.520 3.158 20 0 EGADRP Cc1ccc(SC[C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639055926 461695969 /nfs/dbraw/zinc/69/59/69/461695969.db2.gz DFQFPFVQRJQDHG-INIZCTEOSA-N 2 0 336.545 3.301 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639085236 461719180 /nfs/dbraw/zinc/71/91/80/461719180.db2.gz DQMJTFJGDRMSNW-QUCCMNQESA-N 2 0 327.516 3.428 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CC[NH2+]C34CCCC4)ccc21 ZINC000647477359 461723204 /nfs/dbraw/zinc/72/32/04/461723204.db2.gz XROLVZDPBDRLLY-ZWKOTPCHSA-N 2 0 342.487 3.032 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(N2CCCC2)n1 ZINC000643471267 461739179 /nfs/dbraw/zinc/73/91/79/461739179.db2.gz LEIUZMKNFTUOCZ-HNNXBMFYSA-N 2 0 339.487 3.003 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480205 461741538 /nfs/dbraw/zinc/74/15/38/461741538.db2.gz FTOPEMDQMNLFQY-JOZSIVFUSA-N 2 0 327.516 3.017 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000666657059 461742096 /nfs/dbraw/zinc/74/20/96/461742096.db2.gz MEJFZXIAXLHUON-KRWDZBQOSA-N 2 0 344.503 3.325 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000643480296 461743465 /nfs/dbraw/zinc/74/34/65/461743465.db2.gz SMYUUNAQQRBJNS-KPUASWNJSA-N 3 0 341.543 3.394 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000639128882 461745494 /nfs/dbraw/zinc/74/54/94/461745494.db2.gz MUGGNSSYURPAIT-RZDIXWSQSA-N 2 0 336.907 3.411 20 0 EGADRP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]C[C@H](C)[NH3+])nc1 ZINC000643527899 461752383 /nfs/dbraw/zinc/75/23/83/461752383.db2.gz UTPBEUMOTFJXCO-IFXJQAMLSA-N 2 0 331.891 3.388 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(Br)c1 ZINC000643534381 461754233 /nfs/dbraw/zinc/75/42/33/461754233.db2.gz SSXMLWYWRWIBTD-IINYFYTJSA-N 2 0 327.241 3.381 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)nnn1-c1cccc(Cl)c1 ZINC000643534300 461755451 /nfs/dbraw/zinc/75/54/51/461755451.db2.gz PYWCIYNZXVBMBO-BLLLJJGKSA-N 2 0 345.878 3.022 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543155 461756939 /nfs/dbraw/zinc/75/69/39/461756939.db2.gz IHKCTVWXYUQWDN-IRXDYDNUSA-N 2 0 325.456 3.152 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)O[C@H](C)C2 ZINC000647543720 461758984 /nfs/dbraw/zinc/75/89/84/461758984.db2.gz RLPPTYGUPFHEMH-ZACQAIPSSA-N 2 0 344.499 3.230 20 0 EGADRP COc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1OC1CCCC1 ZINC000647548707 461761830 /nfs/dbraw/zinc/76/18/30/461761830.db2.gz QRIYCPVAHKHMJN-BPQIPLTHSA-N 2 0 344.499 3.494 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000647553060 461764512 /nfs/dbraw/zinc/76/45/12/461764512.db2.gz YQRRHLVAICFINQ-UHFFFAOYSA-N 2 0 334.847 3.496 20 0 EGADRP c1ccc([C@H](C[NH+]2CCCCC2)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000656496476 461768120 /nfs/dbraw/zinc/76/81/20/461768120.db2.gz QHJZLMZRUNFMNL-NRFANRHFSA-N 2 0 327.516 3.430 20 0 EGADRP CC(C)(C)[C@@]1(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000639202185 461800583 /nfs/dbraw/zinc/80/05/83/461800583.db2.gz UHDBROXREVZEQO-HIUFNZKISA-N 2 0 342.527 3.095 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2cc3ccccc3s2)CC1 ZINC000639207095 461802467 /nfs/dbraw/zinc/80/24/67/461802467.db2.gz GAQSLLUIYPMFFZ-UHFFFAOYSA-N 2 0 332.513 3.269 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000669848469 461814706 /nfs/dbraw/zinc/81/47/06/461814706.db2.gz KPYLSOPTSDIFIA-CEWLAPEOSA-N 2 0 328.500 3.482 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786607 461834726 /nfs/dbraw/zinc/83/47/26/461834726.db2.gz UEWLMPHZLHNRRD-ISARSNTHSA-N 2 0 331.479 3.081 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000666853924 461835572 /nfs/dbraw/zinc/83/55/72/461835572.db2.gz OLZMTMGMRRBXIE-KYOSRNDESA-N 2 0 343.393 3.282 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789674 461835911 /nfs/dbraw/zinc/83/59/11/461835911.db2.gz JCOAENOCAPNRRW-QRGGPHLOSA-N 3 0 341.543 3.121 20 0 EGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791924 461836774 /nfs/dbraw/zinc/83/67/74/461836774.db2.gz QOAKDMBYXUPOAE-UMVBOHGHSA-N 2 0 328.378 3.062 20 0 EGADRP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000647791718 461837216 /nfs/dbraw/zinc/83/72/16/461837216.db2.gz KZSJOBVNDRRAAG-JJRVBVJISA-N 2 0 335.879 3.036 20 0 EGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793314 461838423 /nfs/dbraw/zinc/83/84/23/461838423.db2.gz SYKFLSZKXLNQIR-YESZJQIVSA-N 2 0 342.405 3.243 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000647794204 461838682 /nfs/dbraw/zinc/83/86/82/461838682.db2.gz UITRFEPCZCFCTJ-QWFCFKBJSA-N 2 0 342.531 3.017 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000647797936 461840331 /nfs/dbraw/zinc/84/03/31/461840331.db2.gz HSQJRXDZUHIZHQ-MXASKKJJSA-N 2 0 328.435 3.050 20 0 EGADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647797061 461840538 /nfs/dbraw/zinc/84/05/38/461840538.db2.gz WQZJDUMBSAJFDN-BHCLCWRLSA-N 2 0 336.426 3.242 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000663884758 461854614 /nfs/dbraw/zinc/85/46/14/461854614.db2.gz ZSWWLBGEEMZMLN-UTKZUKDTSA-N 2 0 343.515 3.019 20 0 EGADRP c1cc2c(cc1[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1)OCCO2 ZINC000647872603 461865555 /nfs/dbraw/zinc/86/55/55/461865555.db2.gz GCYVJDFNTPZOIE-GOSISDBHSA-N 2 0 330.472 3.375 20 0 EGADRP CC(C)[N@H+](CCCC1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000647878553 461866443 /nfs/dbraw/zinc/86/64/43/461866443.db2.gz QECVVWXMFVORCX-UHFFFAOYSA-N 2 0 342.487 3.326 20 0 EGADRP Clc1ccc(-c2noc([C@H]3CCC[N@H+](C[C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000647883998 461869672 /nfs/dbraw/zinc/86/96/72/461869672.db2.gz SOWHTWCDMBSIJI-ZFWWWQNUSA-N 2 0 346.862 3.179 20 0 EGADRP C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647885643 461870068 /nfs/dbraw/zinc/87/00/68/461870068.db2.gz ADXPGJZNAJYFAU-LJQANCHMSA-N 2 0 340.467 3.186 20 0 EGADRP CC(C)O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000647911725 461881884 /nfs/dbraw/zinc/88/18/84/461881884.db2.gz IGZVQYAJMKSBDV-RXVVDRJESA-N 2 0 346.515 3.243 20 0 EGADRP Clc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666952068 461884828 /nfs/dbraw/zinc/88/48/28/461884828.db2.gz FBOXGDILHRBTFS-CYBMUJFWSA-N 2 0 329.669 3.334 20 0 EGADRP c1nc([C@H]2CCCO2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784560 461893654 /nfs/dbraw/zinc/89/36/54/461893654.db2.gz BXDCWDRGCNSZAE-DOTOQJQBSA-N 2 0 335.517 3.206 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC000656784883 461894861 /nfs/dbraw/zinc/89/48/61/461894861.db2.gz HZGURTDXBKCNEO-HNNXBMFYSA-N 2 0 346.906 3.438 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995123 461903603 /nfs/dbraw/zinc/90/36/03/461903603.db2.gz DPDTYUIHRIZFOV-IRXDYDNUSA-N 2 0 332.488 3.289 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000639387806 461905653 /nfs/dbraw/zinc/90/56/53/461905653.db2.gz NIWYDFJJAYSICH-OAHLLOKOSA-N 2 0 330.394 3.401 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000650722177 461914997 /nfs/dbraw/zinc/91/49/97/461914997.db2.gz MUNZLJOGQLUINX-QGTPRVQTSA-N 2 0 338.879 3.209 20 0 EGADRP CC1(C)Cc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)ccc2O1 ZINC000650723916 461915935 /nfs/dbraw/zinc/91/59/35/461915935.db2.gz VTYSIHROIQMPFI-NLWGTHIKSA-N 2 0 344.499 3.261 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000650723995 461917081 /nfs/dbraw/zinc/91/70/81/461917081.db2.gz WQQLAFZXJMIKSS-LSTHTHJFSA-N 2 0 325.456 3.096 20 0 EGADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974934 461917319 /nfs/dbraw/zinc/91/73/19/461917319.db2.gz CEYWQMKKRMIIKG-MOPGFXCFSA-N 2 0 343.515 3.140 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977077 461918569 /nfs/dbraw/zinc/91/85/69/461918569.db2.gz XRERDIUIJVBGKZ-OALUTQOASA-N 2 0 344.499 3.500 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762797 461940710 /nfs/dbraw/zinc/94/07/10/461940710.db2.gz KKCXFMDQHKIBRS-ZDUSSCGKSA-N 2 0 325.294 3.359 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@H+](C)CCCn2ccnc2C)o1 ZINC000648035995 461952887 /nfs/dbraw/zinc/95/28/87/461952887.db2.gz YEXYYLSGQUTPQU-UHFFFAOYSA-N 2 0 327.432 3.016 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cccc(F)c2)c1 ZINC000644527101 461970773 /nfs/dbraw/zinc/97/07/73/461970773.db2.gz MNCRXUMEMDRWRK-UHFFFAOYSA-N 2 0 343.446 3.396 20 0 EGADRP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCC2 ZINC000639543520 461979507 /nfs/dbraw/zinc/97/95/07/461979507.db2.gz IYFNXEWDGKGWDV-LAUBAEHRSA-N 2 0 326.484 3.208 20 0 EGADRP CCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000667196041 461991595 /nfs/dbraw/zinc/99/15/95/461991595.db2.gz NSKMFNVVFAAJFU-HKUYNNGSSA-N 2 0 344.503 3.184 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000644574249 461992863 /nfs/dbraw/zinc/99/28/63/461992863.db2.gz DSKMEYYZLLZCGY-CYBMUJFWSA-N 2 0 325.884 3.235 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657308573 462033097 /nfs/dbraw/zinc/03/30/97/462033097.db2.gz VJWSJRUAEILCLF-UHFFFAOYSA-N 2 0 326.488 3.423 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(COC)cs2)[C@H](C)C1 ZINC000657363768 462072626 /nfs/dbraw/zinc/07/26/26/462072626.db2.gz RULDOXIOHNCCKS-CRAIPNDOSA-N 2 0 340.533 3.121 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc21 ZINC000657367441 462076733 /nfs/dbraw/zinc/07/67/33/462076733.db2.gz OGZGZVIKLDYALW-CALCHBBNSA-N 2 0 329.488 3.455 20 0 EGADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1OC(F)F ZINC000639760008 462096939 /nfs/dbraw/zinc/09/69/39/462096939.db2.gz PNRPUMJCOZOCNE-UHFFFAOYSA-N 2 0 340.414 3.214 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000648453591 462126173 /nfs/dbraw/zinc/12/61/73/462126173.db2.gz PAOFHCQLUAIXSF-RTBURBONSA-N 2 0 332.488 3.208 20 0 EGADRP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000651210962 462136011 /nfs/dbraw/zinc/13/60/11/462136011.db2.gz JEERRAVJHALZLP-UYAOXDASSA-N 2 0 346.515 3.072 20 0 EGADRP c1cn2c(n1)[C@@H](N[C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000648629217 462206955 /nfs/dbraw/zinc/20/69/55/462206955.db2.gz VARITUOJCOFWKU-YRPNKDGESA-N 2 0 336.483 3.218 20 0 EGADRP COC[C@@]1(C)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648643449 462212708 /nfs/dbraw/zinc/21/27/08/462212708.db2.gz WYIUGJJZHYSFRQ-FQEVSTJZSA-N 2 0 332.488 3.020 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1C ZINC000667687337 462214674 /nfs/dbraw/zinc/21/46/74/462214674.db2.gz JRBJYWVEEZVFFQ-AWEZNQCLSA-N 2 0 330.501 3.443 20 0 EGADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCC[C@H]3C)cc2)CC[N@@H+]1C ZINC000648737976 462253732 /nfs/dbraw/zinc/25/37/32/462253732.db2.gz SWUPZPKSZOAXDT-GPMSIDNRSA-N 2 0 329.488 3.340 20 0 EGADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)CC[N@@H+]1C ZINC000648738435 462253900 /nfs/dbraw/zinc/25/39/00/462253900.db2.gz SIBFBETXWFKVPD-FRQCXROJSA-N 2 0 329.488 3.197 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640099034 462257559 /nfs/dbraw/zinc/25/75/59/462257559.db2.gz HCOZTVKOMMTARY-UFYCRDLUSA-N 2 0 325.456 3.306 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)c(OC)cc2F)CC1 ZINC000651614759 462277943 /nfs/dbraw/zinc/27/79/43/462277943.db2.gz UWNMRASHUSJFDN-UHFFFAOYSA-N 2 0 338.467 3.397 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc3c2CCC3)c2ccccc2)CC1 ZINC000651663733 462294755 /nfs/dbraw/zinc/29/47/55/462294755.db2.gz TZUWUOXAZMXFLS-HSZRJFAPSA-N 2 0 349.522 3.254 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657891477 462309422 /nfs/dbraw/zinc/30/94/22/462309422.db2.gz ZUOKJPPRHZFVII-AEFFLSMTSA-N 2 0 336.907 3.413 20 0 EGADRP CC(C)c1[nH+]c(CN(CC[NH+](C)C)C[C@H]2CCCO2)c2ccccn21 ZINC000651808517 462344167 /nfs/dbraw/zinc/34/41/67/462344167.db2.gz UJJUMXKGPZHORQ-QGZVFWFLSA-N 2 0 344.503 3.000 20 0 EGADRP c1ccc([C@H]2C[C@@H](NCc3cccnc3N3CCCC3)CC[NH2+]2)cc1 ZINC000665236111 462362913 /nfs/dbraw/zinc/36/29/13/462362913.db2.gz HMSRBBNLVRJYPH-VQTJNVASSA-N 2 0 336.483 3.265 20 0 EGADRP CC[N@H+](CCCNCc1cn(C)nc1C(F)F)C1CCCCC1 ZINC000651910121 462377080 /nfs/dbraw/zinc/37/70/80/462377080.db2.gz HSBHVGIPBCYBMA-UHFFFAOYSA-N 2 0 328.451 3.492 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](c2ccccc2)C2CCCCC2)n1 ZINC000665291471 462389193 /nfs/dbraw/zinc/38/91/93/462389193.db2.gz CHGUJLFALDCATN-LJQANCHMSA-N 2 0 326.444 3.052 20 0 EGADRP CC1(C)C[C@]1(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000665299190 462389894 /nfs/dbraw/zinc/38/98/94/462389894.db2.gz IFVBJMAZSQEALO-HUUJSLGLSA-N 2 0 328.500 3.101 20 0 EGADRP c1ccc([C@@H]2C[C@@H](NC[C@@H]3CCC[N@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299671 462391594 /nfs/dbraw/zinc/39/15/94/462391594.db2.gz RBEKVVXIJUTFAH-JBACZVJFSA-N 3 0 327.516 3.191 20 0 EGADRP c1cnc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164927 462415561 /nfs/dbraw/zinc/41/55/61/462415561.db2.gz GRMDXCHAVBONBS-HXUWFJFHSA-N 2 0 336.483 3.356 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000649225037 462444962 /nfs/dbraw/zinc/44/49/62/462444962.db2.gz WKTPYFNVLVFJTP-KRWDZBQOSA-N 2 0 325.456 3.098 20 0 EGADRP CO[C@@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000658314286 462473872 /nfs/dbraw/zinc/47/38/72/462473872.db2.gz HRLGODUMRGTDPB-UZLBHIALSA-N 2 0 334.504 3.483 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000649304798 462474033 /nfs/dbraw/zinc/47/40/33/462474033.db2.gz WWFZNIMQWHNSIA-KRWDZBQOSA-N 2 0 325.456 3.098 20 0 EGADRP CO[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000658318047 462474892 /nfs/dbraw/zinc/47/48/92/462474892.db2.gz YAFGTLJQYKRNBH-JXFKEZNVSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)c2ccc(C[NH3+])o2)CCCC1)c1ccccc1 ZINC000645958903 462478741 /nfs/dbraw/zinc/47/87/41/462478741.db2.gz MUCWZDXOEJSGCX-HNNXBMFYSA-N 2 0 341.455 3.132 20 0 EGADRP CC[N@H+](CCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C)C1CCCCC1 ZINC000652228075 462479815 /nfs/dbraw/zinc/47/98/15/462479815.db2.gz VPJRZYPHGMJADS-SFHVURJKSA-N 2 0 340.556 3.046 20 0 EGADRP CCc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ncn1 ZINC000603380277 479365200 /nfs/dbraw/zinc/36/52/00/479365200.db2.gz GQVZNVNLCCEXAP-IYBDPMFKSA-N 2 0 340.471 3.260 20 0 EGADRP COc1cccc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000191380917 533728173 /nfs/dbraw/zinc/72/81/73/533728173.db2.gz KOIQZKMCORRVMS-NRFANRHFSA-N 2 0 345.531 3.248 20 0 EGADRP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)oc21 ZINC000181703040 528699714 /nfs/dbraw/zinc/69/97/14/528699714.db2.gz YEIQHTKHNCGANH-JKSUJKDBSA-N 2 0 345.487 3.118 20 0 EGADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000185239153 534932613 /nfs/dbraw/zinc/93/26/13/534932613.db2.gz UEMUEODOYSPIQE-OALUTQOASA-N 2 0 331.504 3.480 20 0 EGADRP CC(C)[NH+]1CCC(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186878985 535161413 /nfs/dbraw/zinc/16/14/13/535161413.db2.gz CXNBMELNJOPIKT-NRFANRHFSA-N 2 0 329.532 3.359 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000338153695 535602484 /nfs/dbraw/zinc/60/24/84/535602484.db2.gz KWBDFLXEXGAIRS-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000265122762 535734420 /nfs/dbraw/zinc/73/44/20/535734420.db2.gz FYQQZLLYRXTHIY-JOCHJYFZSA-N 2 0 337.511 3.094 20 0 EGADRP CC[NH+]1CCN(c2ccccc2CNc2cc3c(c[nH+]2)CCC3)CC1 ZINC000339555476 535754048 /nfs/dbraw/zinc/75/40/48/535754048.db2.gz PGFQQUQHEPITJJ-UHFFFAOYSA-N 2 0 336.483 3.324 20 0 EGADRP COc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000092507627 546674495 /nfs/dbraw/zinc/67/44/95/546674495.db2.gz AIWSLLAPURRTJE-UHFFFAOYSA-N 2 0 340.467 3.194 20 0 EGADRP COCC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093103837 546680081 /nfs/dbraw/zinc/68/00/81/546680081.db2.gz DJVADOSZQNZYRJ-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCOCC12CCCC2 ZINC000093840778 546687563 /nfs/dbraw/zinc/68/75/63/546687563.db2.gz LDDNCLRVNMPNOV-UHFFFAOYSA-N 2 0 344.499 3.306 20 0 EGADRP CN(C)c1cccc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000093845637 546688515 /nfs/dbraw/zinc/68/85/15/546688515.db2.gz FQEYYKJUEVMSIP-UHFFFAOYSA-N 2 0 341.499 3.325 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000151731589 546859065 /nfs/dbraw/zinc/85/90/65/546859065.db2.gz LAXTXTTWHCUADT-RXVVDRJESA-N 2 0 331.548 3.259 20 0 EGADRP CCO[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000155429622 546901917 /nfs/dbraw/zinc/90/19/17/546901917.db2.gz KXHOTBMBGYQOPN-FQEVSTJZSA-N 2 0 332.488 3.162 20 0 EGADRP C[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000164365643 546979181 /nfs/dbraw/zinc/97/91/81/546979181.db2.gz SHEIIVKSKFICGN-SFHVURJKSA-N 2 0 340.515 3.336 20 0 EGADRP O=C(CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000166355793 546988196 /nfs/dbraw/zinc/98/81/96/546988196.db2.gz INVPGEHUJZZBHI-IAGOWNOFSA-N 2 0 335.879 3.275 20 0 EGADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000180046382 547051613 /nfs/dbraw/zinc/05/16/13/547051613.db2.gz YHUMAKWSZNNRIH-OWCLPIDISA-N 2 0 342.487 3.178 20 0 EGADRP c1cc2c(o1)CCC[C@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390550441 547828039 /nfs/dbraw/zinc/82/80/39/547828039.db2.gz JYLRFEIDXIDQSL-HXUWFJFHSA-N 2 0 339.483 3.064 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC(F)(F)[C@H]3O)CC2)C1 ZINC000414310180 547855567 /nfs/dbraw/zinc/85/55/67/547855567.db2.gz ZJBUJVWQNQSWAA-LLLHUVSDSA-N 2 0 330.463 3.168 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3scnc3C3CC3)CC2)CC1 ZINC000494943335 547994219 /nfs/dbraw/zinc/99/42/19/547994219.db2.gz VSCIYRRCXONFHF-UHFFFAOYSA-N 2 0 348.560 3.011 20 0 EGADRP COc1cccc(C2([NH2+]Cc3ccc(OCC[NH+](C)C)cc3)CC2)c1 ZINC000675155720 548856354 /nfs/dbraw/zinc/85/63/54/548856354.db2.gz KADIHNAAZHDQIQ-UHFFFAOYSA-N 2 0 340.467 3.415 20 0 EGADRP C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000675777433 548979600 /nfs/dbraw/zinc/97/96/00/548979600.db2.gz ULQXMNRSUQAFDN-CYBMUJFWSA-N 2 0 330.394 3.404 20 0 EGADRP CCC[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678271664 549453151 /nfs/dbraw/zinc/45/31/51/549453151.db2.gz ZRXMTFLTBVBPBI-HXUWFJFHSA-N 2 0 332.488 3.162 20 0 EGADRP C[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)C1CC[NH+](C)CC1 ZINC000678591238 549526271 /nfs/dbraw/zinc/52/62/71/549526271.db2.gz KLTOKCQMYFUOLB-AWEZNQCLSA-N 2 0 330.501 3.068 20 0 EGADRP C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678931876 549598339 /nfs/dbraw/zinc/59/83/39/549598339.db2.gz QPPPVIYSXFEEPV-INIZCTEOSA-N 2 0 328.456 3.053 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679143047 549643791 /nfs/dbraw/zinc/64/37/91/549643791.db2.gz OWVGQXMQGDCXDV-AEFFLSMTSA-N 2 0 333.545 3.438 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)n1 ZINC000679770171 549774127 /nfs/dbraw/zinc/77/41/27/549774127.db2.gz ORMQPOKGKLLOBL-OXJNMPFZSA-N 2 0 339.483 3.116 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4c(Cl)cccc43)C2)CC1 ZINC000680465030 549868408 /nfs/dbraw/zinc/86/84/08/549868408.db2.gz NKESYNYNZCUCIE-QRWLVFNGSA-N 2 0 347.934 3.476 20 0 EGADRP CC[C@]1([NH2+]Cc2ccccc2C[NH2+][C@@]2(CC)CCOC2)CCOC1 ZINC000683044636 550182686 /nfs/dbraw/zinc/18/26/86/550182686.db2.gz VCAVCTVBVMDNMI-PMACEKPBSA-N 2 0 332.488 3.004 20 0 EGADRP C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000683146020 550196200 /nfs/dbraw/zinc/19/62/00/550196200.db2.gz FSBWJPJQMPYSMQ-NFQUHZNNSA-N 2 0 332.488 3.001 20 0 EGADRP Oc1cccc2c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)cc[nH+]c12 ZINC000684579397 550345418 /nfs/dbraw/zinc/34/54/18/550345418.db2.gz HNEXIEIIUFHBIW-KRWDZBQOSA-N 2 0 349.434 3.119 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000729316314 574837601 /nfs/dbraw/zinc/83/76/01/574837601.db2.gz GEXCOSHSJVBOEI-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000309979458 574981056 /nfs/dbraw/zinc/98/10/56/574981056.db2.gz UEVHGNOCTYQURS-HNNXBMFYSA-N 2 0 327.513 3.142 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000691658939 1298135313 /nfs/dbraw/zinc/13/53/13/1298135313.db2.gz FISDUZXYQIKULR-HZPDHXFCSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@H](N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693713384 1298150581 /nfs/dbraw/zinc/15/05/81/1298150581.db2.gz OBDBXGJOXBSQEA-JBINPLMMSA-N 2 0 341.543 3.263 20 0 EGADRP Cc1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000063551601 1292015323 /nfs/dbraw/zinc/01/53/23/1292015323.db2.gz OSNSGFJKPZIZCV-UHFFFAOYSA-N 2 0 346.906 3.384 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000067671668 1292167040 /nfs/dbraw/zinc/16/70/40/1292167040.db2.gz REJKYKUTCIBHHY-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000069445501 1292243504 /nfs/dbraw/zinc/24/35/04/1292243504.db2.gz HCKPCTVNPCKHBZ-FQEVSTJZSA-N 2 0 343.515 3.032 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000069785281 1292251998 /nfs/dbraw/zinc/25/19/98/1292251998.db2.gz YQIOWKGZHVBIOC-UHFFFAOYSA-N 2 0 337.511 3.286 20 0 EGADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000073184196 1292309854 /nfs/dbraw/zinc/30/98/54/1292309854.db2.gz PKZJKJGPKOIZQT-LJQANCHMSA-N 2 0 336.439 3.136 20 0 EGADRP [NH3+]CC1(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC000827863615 1292390381 /nfs/dbraw/zinc/39/03/81/1292390381.db2.gz LMJXZQNKBIVJOU-UHFFFAOYSA-N 2 0 349.563 3.447 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1c(C)nn(C)c1C ZINC000078484569 1292512131 /nfs/dbraw/zinc/51/21/31/1292512131.db2.gz RRMFUAYDWSYGPG-UHFFFAOYSA-N 2 0 344.503 3.047 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000079121747 1292542406 /nfs/dbraw/zinc/54/24/06/1292542406.db2.gz OFJUFLQPGSKLLK-UHFFFAOYSA-N 2 0 337.511 3.469 20 0 EGADRP C[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000079751262 1292574020 /nfs/dbraw/zinc/57/40/20/1292574020.db2.gz JKIKVUHEGIWGPM-IBGZPJMESA-N 2 0 329.532 3.363 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000087790515 1292746503 /nfs/dbraw/zinc/74/65/03/1292746503.db2.gz DNXIAAGZQGXWHU-GFCCVEGCSA-N 2 0 327.266 3.019 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000092411042 1292866712 /nfs/dbraw/zinc/86/67/12/1292866712.db2.gz GAMYQQHMWLKDSN-MRXNPFEDSA-N 2 0 333.501 3.257 20 0 EGADRP Cc1cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)ccc1F ZINC000105420498 1293035385 /nfs/dbraw/zinc/03/53/85/1293035385.db2.gz IOLSRUDFYQGJNU-UHFFFAOYSA-N 2 0 328.431 3.256 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834547360 1293115501 /nfs/dbraw/zinc/11/55/01/1293115501.db2.gz AUUXLLZBRPPZLG-HRCADAONSA-N 2 0 327.513 3.094 20 0 EGADRP Cc1ccc(N2CC[C@@H]([NH+]3CCC(CCC[NH+](C)C)CC3)C2=O)cc1 ZINC000123430027 1293443877 /nfs/dbraw/zinc/44/38/77/1293443877.db2.gz XDFNTRDLADHEHN-HXUWFJFHSA-N 2 0 343.515 3.154 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000124521003 1293477898 /nfs/dbraw/zinc/47/78/98/1293477898.db2.gz MLIKGHFHKSRUGH-LJQANCHMSA-N 2 0 345.462 3.334 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000132100342 1293709203 /nfs/dbraw/zinc/70/92/03/1293709203.db2.gz PUPODLWTDMVBNV-UHFFFAOYSA-N 2 0 331.529 3.265 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnc(C3CC3)s2)c1 ZINC000134051641 1293761151 /nfs/dbraw/zinc/76/11/51/1293761151.db2.gz PXCWIFKENKBSSJ-UHFFFAOYSA-N 2 0 331.485 3.251 20 0 EGADRP C[C@H](Cn1cccn1)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000137872997 1293831771 /nfs/dbraw/zinc/83/17/71/1293831771.db2.gz DERYYPUPIJRWFG-QGZVFWFLSA-N 2 0 341.503 3.162 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000156255497 1294134863 /nfs/dbraw/zinc/13/48/63/1294134863.db2.gz ONVZIRFBIGDCCW-GOSISDBHSA-N 2 0 347.503 3.237 20 0 EGADRP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000161265241 1294288701 /nfs/dbraw/zinc/28/87/01/1294288701.db2.gz QVDGFNQKEBCCOD-NVXWUHKLSA-N 2 0 341.540 3.246 20 0 EGADRP C([NH2+]C1CCC2(CC1)OCCO2)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000161426741 1294291990 /nfs/dbraw/zinc/29/19/90/1294291990.db2.gz MZNCFZPVOIZNAB-LJQANCHMSA-N 2 0 336.520 3.306 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000162764052 1294322171 /nfs/dbraw/zinc/32/21/71/1294322171.db2.gz UHXCGJNOEILALV-OAHLLOKOSA-N 2 0 336.373 3.291 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000164607695 1294350972 /nfs/dbraw/zinc/35/09/72/1294350972.db2.gz CBOGJVAJKIQIAO-MOPGFXCFSA-N 2 0 331.504 3.051 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)CC1 ZINC000870866997 1296121221 /nfs/dbraw/zinc/12/12/21/1296121221.db2.gz WZWJELDIMIGLFB-HDICACEKSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[NH2+]CC3CC3)cc2)C1 ZINC000870865963 1296121268 /nfs/dbraw/zinc/12/12/68/1296121268.db2.gz IQZWBDMLGOFSIG-MRXNPFEDSA-N 2 0 329.488 3.247 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)C1 ZINC000870866445 1296121403 /nfs/dbraw/zinc/12/14/03/1296121403.db2.gz WHEMDKYOAUHKPL-RYQLBKOJSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870865665 1296121580 /nfs/dbraw/zinc/12/15/80/1296121580.db2.gz BOZOZIDAWBUFBP-VDGAXYAQSA-N 2 0 343.515 3.195 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCCC1)c1ccccc1 ZINC000870886055 1296130625 /nfs/dbraw/zinc/13/06/25/1296130625.db2.gz ZARJQTTXOOJXIX-YTQUADARSA-N 2 0 343.515 3.284 20 0 EGADRP c1ccc(C[NH+]2CCC(NC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000236718456 1296198866 /nfs/dbraw/zinc/19/88/66/1296198866.db2.gz IGANDMJIWJYNIG-UHFFFAOYSA-N 2 0 327.516 3.115 20 0 EGADRP c1ccc(COc2cccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c2)nc1 ZINC000236727111 1296199159 /nfs/dbraw/zinc/19/91/59/1296199159.db2.gz PLFDBCIZYGPNIV-SFHVURJKSA-N 2 0 337.467 3.235 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000237157880 1296223034 /nfs/dbraw/zinc/22/30/34/1296223034.db2.gz ALFHVPAYXFLRRM-UHFFFAOYSA-N 2 0 331.548 3.347 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248180451 1296408062 /nfs/dbraw/zinc/40/80/62/1296408062.db2.gz YIHJFEVUAWZXHR-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261538174 1296594185 /nfs/dbraw/zinc/59/41/85/1296594185.db2.gz NLFBLYFONNBMLP-UWHLTILDSA-N 2 0 327.516 3.161 20 0 EGADRP CC1(C)CCc2onc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c2C1 ZINC000872145605 1296767527 /nfs/dbraw/zinc/76/75/27/1296767527.db2.gz UYJVGGZOSDUAEZ-INIZCTEOSA-N 2 0 331.504 3.401 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000301465832 1296789144 /nfs/dbraw/zinc/78/91/44/1296789144.db2.gz FYJWJVCMMIBIHB-HOTGVXAUSA-N 2 0 341.540 3.247 20 0 EGADRP O[C@H](C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000872222969 1296826438 /nfs/dbraw/zinc/82/64/38/1296826438.db2.gz KIVOAXNFMYWINA-OAQYLSRUSA-N 2 0 339.483 3.007 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000311238652 1297105296 /nfs/dbraw/zinc/10/52/96/1297105296.db2.gz VISBVLOFRWKYPE-UWHLTILDSA-N 2 0 346.515 3.071 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1[NH2+]CCc2ccccc21 ZINC000326489011 1297236282 /nfs/dbraw/zinc/23/62/82/1297236282.db2.gz MQMLNSUZHQZXKZ-FQEVSTJZSA-N 2 0 335.451 3.108 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2n2cncn2)CC1 ZINC000340257508 1297309913 /nfs/dbraw/zinc/30/99/13/1297309913.db2.gz KIKWBRMRSBPFRS-MISYRCLQSA-N 2 0 347.551 3.356 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@H](n2cncn2)C1 ZINC000340239746 1297310635 /nfs/dbraw/zinc/31/06/35/1297310635.db2.gz DGGNRCXJAQHHSH-GUDVDZBRSA-N 2 0 333.524 3.254 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000345788061 1297339456 /nfs/dbraw/zinc/33/94/56/1297339456.db2.gz CFINRUKTJOSVMQ-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP COc1cc(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc(OC)c1 ZINC000873202820 1297347206 /nfs/dbraw/zinc/34/72/06/1297347206.db2.gz FFKNLMLSIXDYBH-UHFFFAOYSA-N 2 0 332.469 3.043 20 0 EGADRP c1c(C[NH2+]C2CCN(Cc3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000873212643 1297355596 /nfs/dbraw/zinc/35/55/96/1297355596.db2.gz NYNZFEGWWYSGRZ-UHFFFAOYSA-N 2 0 341.524 3.148 20 0 EGADRP Fc1cccc2c1SCC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000873241937 1297383864 /nfs/dbraw/zinc/38/38/64/1297383864.db2.gz JAZPHBCKCWGOFH-MRXNPFEDSA-N 2 0 344.459 3.279 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1C[NH+]1CCCCC1 ZINC000873252667 1297391374 /nfs/dbraw/zinc/39/13/74/1297391374.db2.gz UZCYJOROJBEFMH-MDZRGWNJSA-N 3 0 331.504 3.069 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000873259750 1297394968 /nfs/dbraw/zinc/39/49/68/1297394968.db2.gz KPVRUMIYXQCZFG-BIMQEMHKSA-N 2 0 349.316 3.427 20 0 EGADRP Cn1ccc([C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(Cl)cc2)n1 ZINC000873265664 1297398135 /nfs/dbraw/zinc/39/81/35/1297398135.db2.gz WQPDDGRZBVGSQC-WCMCAJIFSA-N 2 0 344.890 3.283 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873288817 1297411324 /nfs/dbraw/zinc/41/13/24/1297411324.db2.gz MALHFPZEFGDZBU-QAPCUYQASA-N 2 0 327.447 3.408 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000873290026 1297412799 /nfs/dbraw/zinc/41/27/99/1297412799.db2.gz NFGZELHGYSJMON-ZIAGYGMSSA-N 2 0 340.414 3.097 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000873296605 1297417243 /nfs/dbraw/zinc/41/72/43/1297417243.db2.gz JOINBRKKCUZQRP-ZSYWTGECSA-N 2 0 336.907 3.144 20 0 EGADRP COC(=O)/C(C)=C\C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000381382637 1297551106 /nfs/dbraw/zinc/55/11/06/1297551106.db2.gz PSSYUZJGWQEBRF-LSCVHKIXSA-N 2 0 342.483 3.094 20 0 EGADRP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381179003 1297552068 /nfs/dbraw/zinc/55/20/68/1297552068.db2.gz PVNGHDLDBDSQLX-LJQANCHMSA-N 2 0 345.531 3.183 20 0 EGADRP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000393925766 1297673481 /nfs/dbraw/zinc/67/34/81/1297673481.db2.gz BIYKDTKSRAATLT-GQGLESIBSA-N 2 0 337.508 3.039 20 0 EGADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCCC[NH3+] ZINC000404381525 1297750289 /nfs/dbraw/zinc/75/02/89/1297750289.db2.gz LHUMLKJTRFHAFP-IPMKNSEASA-N 2 0 345.531 3.406 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692151841 1298141110 /nfs/dbraw/zinc/14/11/10/1298141110.db2.gz NNKUDEQGDBYLBW-MRXNPFEDSA-N 2 0 341.540 3.486 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000699601854 1298171193 /nfs/dbraw/zinc/17/11/93/1298171193.db2.gz QXWDSIARYRMTPA-UHFFFAOYSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000700799537 1298180318 /nfs/dbraw/zinc/18/03/18/1298180318.db2.gz ITCAGAQIHUPHFD-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000704493333 1298207825 /nfs/dbraw/zinc/20/78/25/1298207825.db2.gz FBFARANFGONLLD-RTBURBONSA-N 2 0 345.531 3.167 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000715514692 1298280136 /nfs/dbraw/zinc/28/01/36/1298280136.db2.gz WKFULXUXLQKOHO-KBPBESRZSA-N 2 0 341.293 3.420 20 0 EGADRP C[C@H]1[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000715561084 1298281762 /nfs/dbraw/zinc/28/17/62/1298281762.db2.gz GZZHRJQCUYICOM-ZGRYLRDCSA-N 2 0 339.524 3.237 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000724026662 1298343681 /nfs/dbraw/zinc/34/36/81/1298343681.db2.gz HETWHKCNEHFRMK-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+](CC)CC ZINC000746177213 1298547631 /nfs/dbraw/zinc/54/76/31/1298547631.db2.gz CXPLLRFIITUSGX-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000876906761 1299060512 /nfs/dbraw/zinc/06/05/12/1299060512.db2.gz HNBUAPQVYAECBK-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876941561 1299077843 /nfs/dbraw/zinc/07/78/43/1299077843.db2.gz NSRRNDFBAGWMKH-PORCLINASA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCCCC[NH+](C)C)C[C@@H]1C ZINC000748961880 1299117380 /nfs/dbraw/zinc/11/73/80/1299117380.db2.gz XOXSYLNZLIMRAK-ROUUACIJSA-N 2 0 340.556 3.013 20 0 EGADRP [NH3+][C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccc(C(F)(F)F)cc1 ZINC000877138047 1299176777 /nfs/dbraw/zinc/17/67/77/1299176777.db2.gz IAWKFMLFYDGFOR-XHSDSOJGSA-N 2 0 349.356 3.159 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877450241 1299309512 /nfs/dbraw/zinc/30/95/12/1299309512.db2.gz FEXLFQXHYHMPGT-LBKNJMOBSA-N 2 0 335.536 3.040 20 0 EGADRP Cn1cc(-c2ccc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)s2)cn1 ZINC000877683967 1299477457 /nfs/dbraw/zinc/47/74/57/1299477457.db2.gz FATMHWSRIJCUQP-UHFFFAOYSA-N 2 0 344.528 3.456 20 0 EGADRP Cc1cccc(NC(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1C ZINC000879248196 1300452940 /nfs/dbraw/zinc/45/29/40/1300452940.db2.gz JMNGRLUWJHTVLD-UHFFFAOYSA-N 2 0 329.488 3.050 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+]4CCCC4)C3)C2)cc1 ZINC000760842863 1301350957 /nfs/dbraw/zinc/35/09/57/1301350957.db2.gz KUPBZILYHJNKLN-NRFANRHFSA-N 2 0 327.516 3.070 20 0 EGADRP CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000763961459 1301990294 /nfs/dbraw/zinc/99/02/94/1301990294.db2.gz FRGDLGIZSMSCKZ-TZIWHRDSSA-N 2 0 330.516 3.131 20 0 EGADRP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000765256084 1302230863 /nfs/dbraw/zinc/23/08/63/1302230863.db2.gz STOFEAYJKYCWRI-SFHVURJKSA-N 2 0 347.522 3.297 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC2)C1 ZINC000883433220 1302442421 /nfs/dbraw/zinc/44/24/21/1302442421.db2.gz KXYKYKCVZICIMX-MHTWAQMVSA-N 2 0 344.499 3.125 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC000883461835 1302452306 /nfs/dbraw/zinc/45/23/06/1302452306.db2.gz DYMQQHJDBYDERT-WOJBJXKFSA-N 2 0 346.515 3.266 20 0 EGADRP O=C(OCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000770382406 1303258554 /nfs/dbraw/zinc/25/85/54/1303258554.db2.gz ODXUAUJOIWQOGO-GOSISDBHSA-N 2 0 348.462 3.067 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000886545650 1303494965 /nfs/dbraw/zinc/49/49/65/1303494965.db2.gz PLMMQVSIAPYZET-UTKZUKDTSA-N 2 0 343.515 3.059 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000886606953 1303521490 /nfs/dbraw/zinc/52/14/90/1303521490.db2.gz IWFKUKNCZJRGJC-CEXWTWQISA-N 2 0 344.499 3.218 20 0 EGADRP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886641669 1303536331 /nfs/dbraw/zinc/53/63/31/1303536331.db2.gz PCUSQKFADNPXMW-UHFFFAOYSA-N 2 0 344.425 3.326 20 0 EGADRP C[C@H](COCc1ccccc1)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000886839732 1303617356 /nfs/dbraw/zinc/61/73/56/1303617356.db2.gz LFSHWWXCQOVHPV-DZFGPLHGSA-N 2 0 346.515 3.058 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)C1 ZINC000773139284 1303632262 /nfs/dbraw/zinc/63/22/62/1303632262.db2.gz MTJLEPFBCMPYGE-IXDOHACOSA-N 2 0 326.575 3.363 20 0 EGADRP CN(C)[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000774981250 1303885288 /nfs/dbraw/zinc/88/52/88/1303885288.db2.gz XZBZTNAWWBXMBF-MRXNPFEDSA-N 2 0 327.513 3.001 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)cc1C[NH+]1CCCCC1 ZINC000775387821 1303953929 /nfs/dbraw/zinc/95/39/29/1303953929.db2.gz MSVIYMPFRJWIGB-IIBYNOLFSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777299071 1304279975 /nfs/dbraw/zinc/27/99/75/1304279975.db2.gz AFPQPTBHIUCEPY-AEFFLSMTSA-N 2 0 330.520 3.112 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000779064105 1304525131 /nfs/dbraw/zinc/52/51/31/1304525131.db2.gz CJAYWTOKVWMKGK-JKSUJKDBSA-N 2 0 341.540 3.342 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000779344886 1304559428 /nfs/dbraw/zinc/55/94/28/1304559428.db2.gz KZHFYYNIZRBXMR-NRFANRHFSA-N 2 0 345.506 3.379 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCOc2cccnc2)C3)cc1 ZINC000779439258 1304572038 /nfs/dbraw/zinc/57/20/38/1304572038.db2.gz VACSIHIUIXNQKG-OWZKRDHZSA-N 2 0 337.467 3.246 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CCc4ccccc43)CC2)CC1 ZINC000780300433 1304674400 /nfs/dbraw/zinc/67/44/00/1304674400.db2.gz FAJBSPGTASETLV-HXUWFJFHSA-N 2 0 341.543 3.207 20 0 EGADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781421349 1304825297 /nfs/dbraw/zinc/82/52/97/1304825297.db2.gz PVXOLJAHFUVQCT-UWHLTILDSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@H]1CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000783242765 1305070083 /nfs/dbraw/zinc/07/00/83/1305070083.db2.gz HWGBILPWMIFDQQ-XJKSGUPXSA-N 2 0 341.421 3.345 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000892580139 1305451653 /nfs/dbraw/zinc/45/16/53/1305451653.db2.gz HBPAVGTWGNXNDD-ZWKOTPCHSA-N 2 0 334.504 3.060 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000892740403 1305532052 /nfs/dbraw/zinc/53/20/52/1305532052.db2.gz LIZVFJRMDQMOES-GOSISDBHSA-N 2 0 334.504 3.204 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000787302646 1305729262 /nfs/dbraw/zinc/72/92/62/1305729262.db2.gz JPAAHOHJCNTEIR-GIVPXCGWSA-N 2 0 348.531 3.063 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2csc(CCc3ccccc3)n2)CC1 ZINC000893361093 1305847132 /nfs/dbraw/zinc/84/71/32/1305847132.db2.gz TWCJLQVSGGODEB-UHFFFAOYSA-N 2 0 329.513 3.360 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(CC)cc2)[C@@H](C)C1 ZINC000789385200 1306152161 /nfs/dbraw/zinc/15/21/61/1306152161.db2.gz XSSHSKAADXGGOI-DZFGPLHGSA-N 2 0 348.531 3.009 20 0 EGADRP Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)CC2CC[NH+](C)CC2)cn1 ZINC000894201642 1306273450 /nfs/dbraw/zinc/27/34/50/1306273450.db2.gz POEBCNBZQQLSNM-UHFFFAOYSA-N 2 0 346.906 3.418 20 0 EGADRP CCc1nc2cc(C[NH2+]CC3CC[NH+](C)CC3)ccc2n1C1CC1 ZINC000894274703 1306316690 /nfs/dbraw/zinc/31/66/90/1306316690.db2.gz IMDCANFMDKZVAR-UHFFFAOYSA-N 2 0 326.488 3.365 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cnc1F ZINC000894302475 1306331686 /nfs/dbraw/zinc/33/16/86/1306331686.db2.gz UGKXNVJLJGXDIB-UHFFFAOYSA-N 2 0 343.446 3.292 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000790747812 1308857856 /nfs/dbraw/zinc/85/78/56/1308857856.db2.gz GSAYVBVYICFFSE-LSDHHAIUSA-N 2 0 346.462 3.065 20 0 EGADRP CCOc1ccc([C@@H](O)C2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC000894564508 1308955401 /nfs/dbraw/zinc/95/54/01/1308955401.db2.gz DGOLOHLBLWEDDZ-OAQYLSRUSA-N 2 0 346.515 3.173 20 0 EGADRP [NH3+][C@H]1CC[C@H](N(c2ccccn2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000895110500 1309194911 /nfs/dbraw/zinc/19/49/11/1309194911.db2.gz NIZKDOOGFOGSHY-IYARVYRRSA-N 2 0 328.504 3.032 20 0 EGADRP C[C@H](CC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C ZINC000895429519 1309333154 /nfs/dbraw/zinc/33/31/54/1309333154.db2.gz OWGFGLQMVITJMX-OAHLLOKOSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000895607719 1309426510 /nfs/dbraw/zinc/42/65/10/1309426510.db2.gz UQKWGGARWKWTDR-WOJBJXKFSA-N 2 0 337.467 3.380 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000895971349 1309618870 /nfs/dbraw/zinc/61/88/70/1309618870.db2.gz JYFGMSVWHHDNEP-OALUTQOASA-N 2 0 343.515 3.012 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000897362782 1310308146 /nfs/dbraw/zinc/30/81/46/1310308146.db2.gz CDLVEKJDMQEKCT-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cn(C(C)(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cn1 ZINC000897908292 1310513121 /nfs/dbraw/zinc/51/31/21/1310513121.db2.gz FWQIXUQDQYKFNW-QGZVFWFLSA-N 2 0 326.444 3.114 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000898298653 1310667223 /nfs/dbraw/zinc/66/72/23/1310667223.db2.gz QTGKKXDJVRWSPY-UHFFFAOYSA-N 2 0 338.455 3.306 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3O)CC2)C1 ZINC000898391897 1310707809 /nfs/dbraw/zinc/70/78/09/1310707809.db2.gz MJAKRIXJJGFNPG-GDVKCFTOSA-N 2 0 328.500 3.277 20 0 EGADRP Cc1cc(Cl)nc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000800286148 1310722359 /nfs/dbraw/zinc/72/23/59/1310722359.db2.gz WTSKGBJJBGRWIK-UHFFFAOYSA-N 2 0 333.863 3.274 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000839180004 1320887188 /nfs/dbraw/zinc/88/71/88/1320887188.db2.gz BPBDBPKEVJJBJO-HNNXBMFYSA-N 2 0 348.491 3.250 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857261710 1328525601 /nfs/dbraw/zinc/52/56/01/1328525601.db2.gz XYBAFMMXIKYLNF-YLJYHZDGSA-N 2 0 345.531 3.346 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018991085 1316995875 /nfs/dbraw/zinc/99/58/75/1316995875.db2.gz XOKGBXOOCCIEHP-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001019241519 1317119755 /nfs/dbraw/zinc/11/97/55/1317119755.db2.gz DIZLJVHHZITYGK-RCCFBDPRSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001019259632 1317132626 /nfs/dbraw/zinc/13/26/26/1317132626.db2.gz UUQLSCUKFQECST-WBAXXEDZSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC000957032127 1317139532 /nfs/dbraw/zinc/13/95/32/1317139532.db2.gz WPVDAFSULGDKNN-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)CC)C1 ZINC000957113862 1317195562 /nfs/dbraw/zinc/19/55/62/1317195562.db2.gz ULCUVSAQCDJJJJ-IEBWSBKVSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019381472 1317205845 /nfs/dbraw/zinc/20/58/45/1317205845.db2.gz JTSDJOIFYWCAJN-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC000957278101 1317256470 /nfs/dbraw/zinc/25/64/70/1317256470.db2.gz FHMXJZRONFRMRI-IAGOWNOFSA-N 2 0 337.552 3.076 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000957324627 1317285889 /nfs/dbraw/zinc/28/58/89/1317285889.db2.gz AYXVRTVQWYYNEI-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000901188631 1317391630 /nfs/dbraw/zinc/39/16/30/1317391630.db2.gz VMQXBTWKIIPZOA-GUMHCPJTSA-N 2 0 347.547 3.163 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901291123 1317401384 /nfs/dbraw/zinc/40/13/84/1317401384.db2.gz FJRUDIBKNHCKKO-WOJBJXKFSA-N 2 0 341.499 3.280 20 0 EGADRP CC(C)(C)C1CCC(C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001019775115 1317413747 /nfs/dbraw/zinc/41/37/47/1317413747.db2.gz XWDQZEQULOSWAQ-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019812409 1317437729 /nfs/dbraw/zinc/43/77/29/1317437729.db2.gz NGLBUGQAXIWWOG-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000957560426 1317457600 /nfs/dbraw/zinc/45/76/00/1317457600.db2.gz ZOLNPEQLTKCFRP-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C[C@@H](C)O1 ZINC000806134289 1317463346 /nfs/dbraw/zinc/46/33/46/1317463346.db2.gz IOXHLQRXYYUOPF-IIAWOOMASA-N 2 0 337.895 3.201 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C)cc1C[NH+]1CCCCC1 ZINC000806169196 1317468075 /nfs/dbraw/zinc/46/80/75/1317468075.db2.gz BZYZSVKWDCILFZ-IRXDYDNUSA-N 2 0 333.520 3.282 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)CC1 ZINC000957647633 1317519487 /nfs/dbraw/zinc/51/94/87/1317519487.db2.gz PRWCUIQJANNDAY-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1)c1ccccc1 ZINC001020156708 1317567349 /nfs/dbraw/zinc/56/73/49/1317567349.db2.gz XKHQVHLWOIQNEV-WDSOQIARSA-N 2 0 343.515 3.249 20 0 EGADRP CC1(C)C[NH2+]CC[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000902358552 1317568130 /nfs/dbraw/zinc/56/81/30/1317568130.db2.gz CWGDDONLOFSLEL-FQEVSTJZSA-N 2 0 345.531 3.081 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000957720547 1317588256 /nfs/dbraw/zinc/58/82/56/1317588256.db2.gz RCIKLWIBYGCQGQ-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C[C@@](C)(CC)CC2=O)CC1)CC1CC1 ZINC000808174367 1317638675 /nfs/dbraw/zinc/63/86/75/1317638675.db2.gz GHEFRBRLTFMZGA-NRFANRHFSA-N 2 0 349.563 3.427 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903057650 1317643902 /nfs/dbraw/zinc/64/39/02/1317643902.db2.gz KAXKFEAKXCWUJI-GAUHOVIDSA-N 2 0 325.500 3.008 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903065313 1317646862 /nfs/dbraw/zinc/64/68/62/1317646862.db2.gz CJFIGORARFINHT-OAHLLOKOSA-N 2 0 339.524 3.142 20 0 EGADRP c1ccc2c(c1)CCCN2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903084025 1317649024 /nfs/dbraw/zinc/64/90/24/1317649024.db2.gz TUXKZFQWXSRHJY-CTXDPNEZSA-N 2 0 325.500 3.187 20 0 EGADRP COc1cccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903103129 1317653125 /nfs/dbraw/zinc/65/31/25/1317653125.db2.gz FGUBXKXLVBKNTG-DUZACMNTSA-N 2 0 330.472 3.210 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)c1ccccc1 ZINC001020348890 1317654618 /nfs/dbraw/zinc/65/46/18/1317654618.db2.gz LCISFJNQJMALOP-FHWLQOOXSA-N 2 0 341.499 3.003 20 0 EGADRP Cc1ccc(C2CC([NH2+][C@@H]3C[C@@]4(C[N@@H+](C)[C@@H]4C(C)C)C[C@H]3O)C2)cc1 ZINC000903115132 1317655917 /nfs/dbraw/zinc/65/59/17/1317655917.db2.gz LTEHOOOQUAFMKV-LXIAHWLOSA-N 2 0 342.527 3.310 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C2 ZINC000903115489 1317656275 /nfs/dbraw/zinc/65/62/75/1317656275.db2.gz BVGPSAOSTKDDIQ-RNEPCJONSA-N 2 0 338.442 3.095 20 0 EGADRP COC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903171381 1317667815 /nfs/dbraw/zinc/66/78/15/1317667815.db2.gz OMTHPWVAAALPFF-ZNXRZULTSA-N 2 0 329.444 3.112 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3cc(N(C)C)cc[nH+]3)CC2)C1 ZINC000903201921 1317673148 /nfs/dbraw/zinc/67/31/48/1317673148.db2.gz RHXDFPLQUNFRTI-JXFKEZNVSA-N 2 0 330.520 3.280 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001020432426 1317695288 /nfs/dbraw/zinc/69/52/88/1317695288.db2.gz MQQJOAHNYYWGHY-UFYCRDLUSA-N 2 0 347.547 3.068 20 0 EGADRP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000903404823 1317697045 /nfs/dbraw/zinc/69/70/45/1317697045.db2.gz ADPGABBSYGSIGF-MXEMCNAFSA-N 2 0 328.500 3.180 20 0 EGADRP c1ccc2c(c1)cccc2C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508735 1317706284 /nfs/dbraw/zinc/70/62/84/1317706284.db2.gz SRUIBTVYBCTOFK-OYRHEFFESA-N 2 0 335.495 3.240 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC001020464005 1317707883 /nfs/dbraw/zinc/70/78/83/1317707883.db2.gz SWEANTZGYZHMOV-IYARVYRRSA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718870 1317724416 /nfs/dbraw/zinc/72/44/16/1317724416.db2.gz SMOUOOJSFZQUSA-ZDUSSCGKSA-N 2 0 328.909 3.382 20 0 EGADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729072 1317726417 /nfs/dbraw/zinc/72/64/17/1317726417.db2.gz JKFWFLFODOGECS-VQTJNVASSA-N 2 0 328.500 3.161 20 0 EGADRP Fc1ccccc1C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903735197 1317727245 /nfs/dbraw/zinc/72/72/45/1317727245.db2.gz YJSXZYCNJCDDNM-KRWDZBQOSA-N 2 0 332.463 3.164 20 0 EGADRP COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729402 1317727470 /nfs/dbraw/zinc/72/74/70/1317727470.db2.gz MEGMHWFJGTWZED-PKOBYXMFSA-N 2 0 344.499 3.381 20 0 EGADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731768 1317727618 /nfs/dbraw/zinc/72/76/18/1317727618.db2.gz CQUOXDDSDYGXKP-GUDVDZBRSA-N 2 0 328.500 3.332 20 0 EGADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903740902 1317728457 /nfs/dbraw/zinc/72/84/57/1317728457.db2.gz ZYDULCNVFSAFGD-VQTJNVASSA-N 2 0 343.515 3.048 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001020511969 1317735303 /nfs/dbraw/zinc/73/53/03/1317735303.db2.gz IOCZUTUZHYNEDT-LPBINRMYSA-N 2 0 343.515 3.023 20 0 EGADRP COc1ccc([C@@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000903879059 1317741007 /nfs/dbraw/zinc/74/10/07/1317741007.db2.gz QZLGTBBYBRZRAQ-ONQFOCNCSA-N 2 0 330.472 3.371 20 0 EGADRP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1C ZINC000903894913 1317743849 /nfs/dbraw/zinc/74/38/49/1317743849.db2.gz HLGHOMDKZXYRGL-XLIONFOSSA-N 2 0 339.487 3.157 20 0 EGADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2ccccc2)cnn1C ZINC000903905464 1317746482 /nfs/dbraw/zinc/74/64/82/1317746482.db2.gz GOQDIBHFXLITSR-FXAWDEMLSA-N 2 0 326.488 3.073 20 0 EGADRP Clc1ccc(OC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000903930159 1317750202 /nfs/dbraw/zinc/75/02/02/1317750202.db2.gz UATHEXHDWBKGSG-VHRNVKJDSA-N 2 0 335.879 3.109 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)CCC2 ZINC000903933896 1317751166 /nfs/dbraw/zinc/75/11/66/1317751166.db2.gz AJRWWYJHTYWXPF-CRAIPNDOSA-N 2 0 345.878 3.023 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001020591483 1317792443 /nfs/dbraw/zinc/79/24/43/1317792443.db2.gz OVGUIRJORUBQCE-NCXUSEDFSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@]1(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000904320709 1317829591 /nfs/dbraw/zinc/82/95/91/1317829591.db2.gz MVPIOSDLJWEOKC-RTBURBONSA-N 2 0 336.907 3.475 20 0 EGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904364982 1317838012 /nfs/dbraw/zinc/83/80/12/1317838012.db2.gz UTPWMHPDGXBUMW-FUHWJXTLSA-N 2 0 332.536 3.350 20 0 EGADRP Cn1cnc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]CC4)CC3)ccc21 ZINC000904416770 1317844952 /nfs/dbraw/zinc/84/49/52/1317844952.db2.gz RIUJIKHXECLTKU-KRWDZBQOSA-N 2 0 326.488 3.175 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001020679314 1317857867 /nfs/dbraw/zinc/85/78/67/1317857867.db2.gz MHWZEYGWWFBXFU-ZULIPRJHSA-N 2 0 349.563 3.172 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000904663904 1317878591 /nfs/dbraw/zinc/87/85/91/1317878591.db2.gz ARAKLFAYYDIRIG-IBGZPJMESA-N 2 0 338.455 3.104 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001020818018 1317948154 /nfs/dbraw/zinc/94/81/54/1317948154.db2.gz GFDNUADNCXNCOJ-UAFMIMERSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000810251888 1317986346 /nfs/dbraw/zinc/98/63/46/1317986346.db2.gz BCKFEKSYMZDOTG-KRWDZBQOSA-N 2 0 334.529 3.490 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021254027 1318159842 /nfs/dbraw/zinc/15/98/42/1318159842.db2.gz FNXUNUOLONAJSY-IPQPSQTFSA-N 2 0 349.563 3.407 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001021302536 1318178576 /nfs/dbraw/zinc/17/85/76/1318178576.db2.gz JTYBQFBCMHTPOP-NXEWRWPSSA-N 2 0 345.531 3.083 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC000959928382 1318269442 /nfs/dbraw/zinc/26/94/42/1318269442.db2.gz YUABMCGFUHLNCY-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960088032 1318345840 /nfs/dbraw/zinc/34/58/40/1318345840.db2.gz TXADNSVWOWZGPY-WSTZPKSXSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960154565 1318388534 /nfs/dbraw/zinc/38/85/34/1318388534.db2.gz HNPDJVJTIMCPCI-LPHOPBHVSA-N 2 0 346.519 3.139 20 0 EGADRP CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021738648 1318646725 /nfs/dbraw/zinc/64/67/25/1318646725.db2.gz BKZHHBWKWQXXMM-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022069614 1318786545 /nfs/dbraw/zinc/78/65/45/1318786545.db2.gz MKLWGMAIOUXQDR-CEXWTWQISA-N 2 0 347.547 3.066 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1)C1CC1 ZINC000960685100 1318792263 /nfs/dbraw/zinc/79/22/63/1318792263.db2.gz UASDRBZPDWDWRZ-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001022077472 1318792868 /nfs/dbraw/zinc/79/28/68/1318792868.db2.gz POYWGWSVACEQOD-VNTMZGSJSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960687268 1318792973 /nfs/dbraw/zinc/79/29/73/1318792973.db2.gz ZKOFKMQANSQIJN-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657831 1318795315 /nfs/dbraw/zinc/79/53/15/1318795315.db2.gz SXHFEQZIQPRATP-DOTOQJQBSA-N 2 0 331.460 3.168 20 0 EGADRP OCc1cc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858549765 1328793039 /nfs/dbraw/zinc/79/30/39/1328793039.db2.gz ASQWYAQEQSLUGQ-GOSISDBHSA-N 2 0 325.456 3.288 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C)CC1CCCCCC1 ZINC000960712805 1318817973 /nfs/dbraw/zinc/81/79/73/1318817973.db2.gz UYQAEFRWYZYKBF-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960713252 1318820227 /nfs/dbraw/zinc/82/02/27/1318820227.db2.gz UIQZJZSDUDHFKD-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022163943 1318825929 /nfs/dbraw/zinc/82/59/29/1318825929.db2.gz CHWZVLPXVHSVLZ-OTWHNJEPSA-N 2 0 335.536 3.068 20 0 EGADRP CCc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)c1 ZINC000960720892 1318829646 /nfs/dbraw/zinc/82/96/46/1318829646.db2.gz VGIOSLQPXOGGKU-VQTJNVASSA-N 2 0 345.531 3.012 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960720482 1318830185 /nfs/dbraw/zinc/83/01/85/1318830185.db2.gz UTWKRCOLXUFBBC-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000960754102 1318854973 /nfs/dbraw/zinc/85/49/73/1318854973.db2.gz QNSSRRJNUJOKBH-HXUWFJFHSA-N 2 0 348.450 3.071 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000960755546 1318856699 /nfs/dbraw/zinc/85/66/99/1318856699.db2.gz XTGNXTCYLYWBHJ-IBGZPJMESA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022351048 1318901779 /nfs/dbraw/zinc/90/17/79/1318901779.db2.gz SKBRZSISVGHQNK-IJXRJRJASA-N 2 0 343.515 3.105 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960827490 1318952152 /nfs/dbraw/zinc/95/21/52/1318952152.db2.gz ZSPDXPGRLUVQPL-YLJYHZDGSA-N 2 0 343.515 3.012 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000960833918 1318962332 /nfs/dbraw/zinc/96/23/32/1318962332.db2.gz OUGQVKGYDMPLQB-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CCc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)cc1 ZINC000960868643 1319012486 /nfs/dbraw/zinc/01/24/86/1319012486.db2.gz KTAFXPDFRMAQLM-UXHICEINSA-N 2 0 345.531 3.012 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960870867 1319014881 /nfs/dbraw/zinc/01/48/81/1319014881.db2.gz UIQZJZSDUDHFKD-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000815614239 1319026949 /nfs/dbraw/zinc/02/69/49/1319026949.db2.gz JXNDGKVRFRLUGV-INIZCTEOSA-N 2 0 345.487 3.416 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001022804512 1319117293 /nfs/dbraw/zinc/11/72/93/1319117293.db2.gz OHYKWTPSZHDLDF-YTQUADARSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001022809480 1319120081 /nfs/dbraw/zinc/12/00/81/1319120081.db2.gz NRHOTYMSHBECGU-KDURUIRLSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001022838529 1319133224 /nfs/dbraw/zinc/13/32/24/1319133224.db2.gz QLXDISYNNBNROU-WCIQWLHISA-N 2 0 347.547 3.211 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C(C)(C)C)CC3)C2)C1 ZINC001023086511 1319255849 /nfs/dbraw/zinc/25/58/49/1319255849.db2.gz NZIXQQXKDIJRNL-NXANPBQISA-N 2 0 349.563 3.027 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961235182 1319369253 /nfs/dbraw/zinc/36/92/53/1319369253.db2.gz VTTAOYIVFLBXDC-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290974 1319450374 /nfs/dbraw/zinc/45/03/74/1319450374.db2.gz FJNKHDAMSZDJEE-UXHICEINSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@@H]1C[NH3+] ZINC000817879647 1319452089 /nfs/dbraw/zinc/45/20/89/1319452089.db2.gz DNEHILRJOLKCDL-LBTNJELSSA-N 2 0 340.467 3.087 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000817893985 1319452635 /nfs/dbraw/zinc/45/26/35/1319452635.db2.gz KESGEUAVOPHWBR-PLACYPQZSA-N 2 0 346.515 3.408 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902716 1319456178 /nfs/dbraw/zinc/45/61/78/1319456178.db2.gz XTVMRQMQJVYBQL-CABCVRRESA-N 2 0 329.257 3.380 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000817917854 1319460293 /nfs/dbraw/zinc/46/02/93/1319460293.db2.gz UHGBGMTZFYRLFX-BNEJOLLZSA-N 2 0 340.870 3.413 20 0 EGADRP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c21 ZINC000817920746 1319462340 /nfs/dbraw/zinc/46/23/40/1319462340.db2.gz VJBNXUFOWFIMQT-ZACQAIPSSA-N 2 0 327.472 3.229 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000817927858 1319462970 /nfs/dbraw/zinc/46/29/70/1319462970.db2.gz RKIROUOEGRSECS-BEVDRBHNSA-N 2 0 327.472 3.258 20 0 EGADRP COc1ccc([C@H](C)NC[C@@H]2CCCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817949342 1319473723 /nfs/dbraw/zinc/47/37/23/1319473723.db2.gz JCPSDZPQHKZGHI-PXNSSMCTSA-N 2 0 345.531 3.474 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817954758 1319474896 /nfs/dbraw/zinc/47/48/96/1319474896.db2.gz INGIEGQUUZWWPJ-ZWKOTPCHSA-N 3 0 345.531 3.331 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817954756 1319475285 /nfs/dbraw/zinc/47/52/85/1319475285.db2.gz INGIEGQUUZWWPJ-QZTJIDSGSA-N 3 0 345.531 3.331 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023364360 1319475551 /nfs/dbraw/zinc/47/55/51/1319475551.db2.gz JKGXHOCKFSFBSV-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817961047 1319477727 /nfs/dbraw/zinc/47/77/27/1319477727.db2.gz TWMUYVXJHPWRMU-MWDXBVQZSA-N 2 0 339.524 3.272 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1Cn1cccn1 ZINC000817958995 1319478066 /nfs/dbraw/zinc/47/80/66/1319478066.db2.gz AALOVWRPPVLPQZ-WDYCEAGBSA-N 2 0 342.487 3.108 20 0 EGADRP COc1ccc([C@H](C)NCC2([NH3+])CCC2)cc1C[NH+]1CCCCC1 ZINC000817965587 1319479081 /nfs/dbraw/zinc/47/90/81/1319479081.db2.gz YACSNGGQMNHLGF-INIZCTEOSA-N 2 0 331.504 3.213 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC ZINC000817967999 1319481006 /nfs/dbraw/zinc/48/10/06/1319481006.db2.gz FQBASALRHBFNAL-LPHOPBHVSA-N 3 0 333.520 3.330 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023370681 1319481617 /nfs/dbraw/zinc/48/16/17/1319481617.db2.gz MUUBOQIWKHFORG-RBUKOAKNSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817980000 1319484064 /nfs/dbraw/zinc/48/40/64/1319484064.db2.gz GXXOWUMWVPGERV-IXDOHACOSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000817984335 1319485298 /nfs/dbraw/zinc/48/52/98/1319485298.db2.gz QOXDDGIVMMOQDC-QGZVFWFLSA-N 2 0 349.588 3.490 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001023377054 1319486001 /nfs/dbraw/zinc/48/60/01/1319486001.db2.gz DKCWVLSYYHAXRI-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961368584 1319526200 /nfs/dbraw/zinc/52/62/00/1319526200.db2.gz UHVKWSOIQCSQBT-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961373582 1319529280 /nfs/dbraw/zinc/52/92/80/1319529280.db2.gz HZGSPLLBTNCEQL-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC000961381976 1319538112 /nfs/dbraw/zinc/53/81/12/1319538112.db2.gz DSRYDQIEPQLEHY-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961417912 1319576355 /nfs/dbraw/zinc/57/63/55/1319576355.db2.gz VMRDNUXQPWOXBJ-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000961433731 1319586588 /nfs/dbraw/zinc/58/65/88/1319586588.db2.gz BUHBJBGRLWGRAN-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000818959706 1319590199 /nfs/dbraw/zinc/59/01/99/1319590199.db2.gz RHPCICTYYZFINH-PBHICJAKSA-N 2 0 326.431 3.242 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000818964246 1319593511 /nfs/dbraw/zinc/59/35/11/1319593511.db2.gz OZMGYRWFTGCYJR-HXUWFJFHSA-N 2 0 330.447 3.491 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000819102644 1319636434 /nfs/dbraw/zinc/63/64/34/1319636434.db2.gz NLVGBBVZXABOAC-DOMZBBRYSA-N 2 0 343.309 3.048 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819133324 1319644352 /nfs/dbraw/zinc/64/43/52/1319644352.db2.gz OCYLQRQCJQMPQK-OAGGEKHMSA-N 2 0 330.394 3.201 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819133601 1319644483 /nfs/dbraw/zinc/64/44/83/1319644483.db2.gz TVINUMCHOPZUQK-XJKCOSOUSA-N 2 0 331.287 3.489 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000819360308 1319709198 /nfs/dbraw/zinc/70/91/98/1319709198.db2.gz CGLIPEBUXBXKAU-INIZCTEOSA-N 2 0 331.287 3.491 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819366006 1319709908 /nfs/dbraw/zinc/70/99/08/1319709908.db2.gz GMQCIODVXKDUAR-WBMJQRKESA-N 2 0 331.287 3.348 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819366541 1319710124 /nfs/dbraw/zinc/71/01/24/1319710124.db2.gz RREVZLFMIQRTMA-CJNGLKHVSA-N 2 0 330.394 3.060 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819367020 1319711313 /nfs/dbraw/zinc/71/13/13/1319711313.db2.gz VLMSTFBXOYDYKF-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@@H]([NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC000962163903 1319840799 /nfs/dbraw/zinc/84/07/99/1319840799.db2.gz GIRMPVFHXTXXPF-LRYGQEGESA-N 2 0 343.515 3.106 20 0 EGADRP C[N@H+](CCOc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460524 1328862361 /nfs/dbraw/zinc/86/23/61/1328862361.db2.gz PFLLKSJMFCCNSQ-PBWFPOADSA-N 2 0 326.843 3.415 20 0 EGADRP Fc1c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccnc1Cl ZINC000824073970 1320226807 /nfs/dbraw/zinc/22/68/07/1320226807.db2.gz PBVYHHLNENULHW-UHFFFAOYSA-N 2 0 334.826 3.275 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000827459845 1320455093 /nfs/dbraw/zinc/45/50/93/1320455093.db2.gz PMSHRNLUBRGHPE-QGZVFWFLSA-N 2 0 345.487 3.012 20 0 EGADRP CCOCCOCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000930564970 1328897888 /nfs/dbraw/zinc/89/78/88/1328897888.db2.gz QGZYWHSGFFHIGW-UHFFFAOYSA-N 2 0 346.515 3.028 20 0 EGADRP CCOc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1OC(=O)CC ZINC000840890576 1321171895 /nfs/dbraw/zinc/17/18/95/1321171895.db2.gz OQWQADRMUDQKPH-UHFFFAOYSA-N 2 0 348.487 3.222 20 0 EGADRP CCOc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1OC(=O)CC ZINC000840912945 1321176471 /nfs/dbraw/zinc/17/64/71/1321176471.db2.gz AAUJFCZIDYPSCO-UHFFFAOYSA-N 2 0 348.487 3.174 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@H](C)CC[NH3+] ZINC000841051558 1321210002 /nfs/dbraw/zinc/21/00/02/1321210002.db2.gz QFVJVSWJQMMSHV-LLVKDONJSA-N 2 0 341.286 3.374 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841307307 1321252052 /nfs/dbraw/zinc/25/20/52/1321252052.db2.gz GOBSMMCGLCQVHC-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000842667186 1321415304 /nfs/dbraw/zinc/41/53/04/1321415304.db2.gz ISNAWQUCUIFNKE-QGZVFWFLSA-N 2 0 328.460 3.436 20 0 EGADRP C[N@H+](Cc1ccccc1OCc1cccnc1)C1CCC([NH3+])CC1 ZINC000843055117 1321462930 /nfs/dbraw/zinc/46/29/30/1321462930.db2.gz RSCKIYBFTLASBT-UHFFFAOYSA-N 2 0 325.456 3.362 20 0 EGADRP CCOc1cc(C[NH2+]C2CCC([NH3+])CC2)ccc1OCC(F)(F)F ZINC000843105561 1321471348 /nfs/dbraw/zinc/47/13/48/1321471348.db2.gz VZPDCAPUDMKDTM-UHFFFAOYSA-N 2 0 346.393 3.386 20 0 EGADRP CCCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1Cl ZINC000843125703 1321472991 /nfs/dbraw/zinc/47/29/91/1321472991.db2.gz FTVVPFUYEIVBMH-HOTGVXAUSA-N 2 0 338.927 3.467 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(CC(C)(C)[NH3+])n3)cc2)CC1 ZINC000843201578 1321486716 /nfs/dbraw/zinc/48/67/16/1321486716.db2.gz ZYSLTZSHEFFZKJ-UHFFFAOYSA-N 2 0 328.460 3.248 20 0 EGADRP C[C@H]1OCC[C@]1(C)[NH2+]CC[Si](C)(C)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000859278948 1328960519 /nfs/dbraw/zinc/96/05/19/1328960519.db2.gz IAWWFWGWPJGFKP-MHORFTMASA-N 2 0 342.600 3.009 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000843340272 1321502356 /nfs/dbraw/zinc/50/23/56/1321502356.db2.gz KVVUYJURFAJVBF-NWBJOUOXSA-N 2 0 343.298 3.393 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843353788 1321505101 /nfs/dbraw/zinc/50/51/01/1321505101.db2.gz JLQBZYZOOAOODG-PBPGXSGUSA-N 2 0 345.531 3.264 20 0 EGADRP CC[C@@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000843355420 1321505601 /nfs/dbraw/zinc/50/56/01/1321505601.db2.gz NZNDSPBZRHJMQH-OFLPRAFFSA-N 2 0 337.895 3.109 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1C ZINC000843385862 1321509243 /nfs/dbraw/zinc/50/92/43/1321509243.db2.gz ZCGZEBDUHXJUJQ-KRWDZBQOSA-N 2 0 340.467 3.231 20 0 EGADRP [NH3+]CCCCCCN1CCO[C@@H](c2ccccc2Br)C1 ZINC000846217838 1321776632 /nfs/dbraw/zinc/77/66/32/1321776632.db2.gz FDKVMCZUPAKDMM-MRXNPFEDSA-N 2 0 341.293 3.342 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000846219381 1321777376 /nfs/dbraw/zinc/77/73/76/1321777376.db2.gz PORCTQUGJMMQPH-QGZVFWFLSA-N 2 0 343.471 3.146 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)C1 ZINC000848719187 1322000117 /nfs/dbraw/zinc/00/01/17/1322000117.db2.gz WIKZHEQRWMNTQH-DYXWJJEUSA-N 2 0 340.467 3.159 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCCC1 ZINC000849056730 1322060557 /nfs/dbraw/zinc/06/05/57/1322060557.db2.gz IJBUUPFJASSLQE-SFHVURJKSA-N 2 0 328.504 3.097 20 0 EGADRP CC[C@H](C)c1ccc(NC(=[NH2+])NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000849054763 1322060989 /nfs/dbraw/zinc/06/09/89/1322060989.db2.gz QYRDHMPPLGQEIW-INIZCTEOSA-N 2 0 345.535 3.162 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000849064519 1322064084 /nfs/dbraw/zinc/06/40/84/1322064084.db2.gz IKOYIJIDRFSTJN-IRXDYDNUSA-N 2 0 330.520 3.100 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849068065 1322065219 /nfs/dbraw/zinc/06/52/19/1322065219.db2.gz REDXKZFRMZYUHL-GFCCVEGCSA-N 2 0 344.381 3.252 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000849091170 1322075606 /nfs/dbraw/zinc/07/56/06/1322075606.db2.gz XJLDURXUBVBWGC-WMZOPIPTSA-N 2 0 344.503 3.279 20 0 EGADRP [NH2+]=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)NC1CCC1 ZINC000849111862 1322082550 /nfs/dbraw/zinc/08/25/50/1322082550.db2.gz JGINXENNXWLLKM-UHFFFAOYSA-N 2 0 334.895 3.218 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849116351 1322084772 /nfs/dbraw/zinc/08/47/72/1322084772.db2.gz NCYYXYNSQFBBJS-CYBMUJFWSA-N 2 0 342.409 3.051 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[NH+]1CCC(C)CC1 ZINC000930910995 1329003832 /nfs/dbraw/zinc/00/38/32/1329003832.db2.gz KJELFWJVIBCCRC-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000850035977 1322186778 /nfs/dbraw/zinc/18/67/78/1322186778.db2.gz HGVAHGZTAPVPGQ-QFBILLFUSA-N 2 0 348.535 3.223 20 0 EGADRP C[C@@H]([NH2+]CC1SCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000850560950 1322268193 /nfs/dbraw/zinc/26/81/93/1322268193.db2.gz PNIRBUKSHMQEEX-CYBMUJFWSA-N 2 0 326.531 3.084 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751420 1322392289 /nfs/dbraw/zinc/39/22/89/1322392289.db2.gz XGSPRYRHOXLBLV-JXFKEZNVSA-N 2 0 337.467 3.017 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C3CC3)c1)C2 ZINC000922388893 1322515947 /nfs/dbraw/zinc/51/59/47/1322515947.db2.gz GZQYJTDTFGLDQJ-CGXNFDGLSA-N 2 0 328.500 3.133 20 0 EGADRP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922390149 1322517131 /nfs/dbraw/zinc/51/71/31/1322517131.db2.gz KYRIMHPCUOJMDX-YRXWBPOGSA-N 2 0 336.907 3.218 20 0 EGADRP COc1ccccc1NC(=O)[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000923443627 1322752722 /nfs/dbraw/zinc/75/27/22/1322752722.db2.gz UGNADCKLCIPSAQ-KRWDZBQOSA-N 2 0 347.503 3.255 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000923482786 1322759889 /nfs/dbraw/zinc/75/98/89/1322759889.db2.gz UOYIZPMBYVXLMS-APWZRJJASA-N 2 0 348.450 3.497 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000923491703 1322761250 /nfs/dbraw/zinc/76/12/50/1322761250.db2.gz MEFPILXYAZOUNZ-DYESRHJHSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923524948 1322769611 /nfs/dbraw/zinc/76/96/11/1322769611.db2.gz BANZDYWERLLRBJ-CJNGLKHVSA-N 2 0 340.920 3.177 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924577187 1323061116 /nfs/dbraw/zinc/06/11/16/1323061116.db2.gz GOIAQACLJLBCRM-OXQOHEQNSA-N 2 0 349.494 3.103 20 0 EGADRP CC1CC[NH+](CCC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000924580834 1323061843 /nfs/dbraw/zinc/06/18/43/1323061843.db2.gz ZENLLKWLUCSMNC-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cnnn1-c1ccccc1 ZINC000924607417 1323073624 /nfs/dbraw/zinc/07/36/24/1323073624.db2.gz JPXCMYPMQJYZNW-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024024398 1323082114 /nfs/dbraw/zinc/08/21/14/1323082114.db2.gz ZVOYNLRTLVYKNM-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)OC[C@@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC000851881547 1323107909 /nfs/dbraw/zinc/10/79/09/1323107909.db2.gz LAFXGGABVFBWDF-LJQANCHMSA-N 2 0 344.499 3.126 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnnn1C ZINC000924683445 1323111245 /nfs/dbraw/zinc/11/12/45/1323111245.db2.gz HAFUQGLRCOYTHE-IXDOHACOSA-N 2 0 341.503 3.144 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1(Br)CC1 ZINC000924702807 1323121631 /nfs/dbraw/zinc/12/16/31/1323121631.db2.gz AOBQRNNXSOTUIM-ZDUSSCGKSA-N 2 0 341.293 3.033 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CC(SC)C3)CC2)cc1 ZINC000924858167 1323188761 /nfs/dbraw/zinc/18/87/61/1323188761.db2.gz YNUIJMFICQBOIM-UHFFFAOYSA-N 2 0 334.529 3.391 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001024188959 1323199683 /nfs/dbraw/zinc/19/96/83/1323199683.db2.gz SOORHTVVVRYLGW-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024236252 1323222534 /nfs/dbraw/zinc/22/25/34/1323222534.db2.gz IGRDUXRASHJBFC-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479731 1323432980 /nfs/dbraw/zinc/43/29/80/1323432980.db2.gz OHMIDTDROYUEEA-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520386 1323468640 /nfs/dbraw/zinc/46/86/40/1323468640.db2.gz JLLKIKILPKKFQW-QGZVFWFLSA-N 2 0 340.471 3.193 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024649074 1323573393 /nfs/dbraw/zinc/57/33/93/1323573393.db2.gz PCPRLZYSJFLKMG-FQEVSTJZSA-N 2 0 345.531 3.175 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCCCC2)C1 ZINC001024803284 1323706055 /nfs/dbraw/zinc/70/60/55/1323706055.db2.gz GQZAPERIPOKGFC-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001025168409 1323936595 /nfs/dbraw/zinc/93/65/95/1323936595.db2.gz CEFDTEGFDKRVSN-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001025168617 1323937106 /nfs/dbraw/zinc/93/71/06/1323937106.db2.gz PXRQOJNGRQBAKA-QZTJIDSGSA-N 2 0 349.544 3.093 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025168300 1323937310 /nfs/dbraw/zinc/93/73/10/1323937310.db2.gz XKFBDLQXODIRLZ-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CC2CCC2)CCC1 ZINC001025240853 1324034877 /nfs/dbraw/zinc/03/48/77/1324034877.db2.gz RNMFSEQNITYLBK-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025257817 1324064666 /nfs/dbraw/zinc/06/46/66/1324064666.db2.gz ACVQMFZCIDXFFY-WOJBJXKFSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025494166 1324345940 /nfs/dbraw/zinc/34/59/40/1324345940.db2.gz VAVDUUDJIOYEGA-IEBWSBKVSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559958 1324407538 /nfs/dbraw/zinc/40/75/38/1324407538.db2.gz YGYIKSDPDIZRRW-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001026298533 1324710333 /nfs/dbraw/zinc/71/03/33/1324710333.db2.gz NPWPOVISIRUYDR-YTQUADARSA-N 2 0 349.563 3.122 20 0 EGADRP CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494633 1324847659 /nfs/dbraw/zinc/84/76/59/1324847659.db2.gz XQAJDHXYRSHNPA-WWDZGPRUSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cs1 ZINC001026515823 1324862435 /nfs/dbraw/zinc/86/24/35/1324862435.db2.gz KWEMPZHIHCTIOH-DAWZGUTISA-N 2 0 349.544 3.058 20 0 EGADRP CC(C)[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026548345 1324885434 /nfs/dbraw/zinc/88/54/34/1324885434.db2.gz VTPQKTMXPNLUSG-TVPLGVNVSA-N 2 0 335.536 3.209 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccc(-n2cnnc2)c1)C(C)C ZINC000925196593 1325078885 /nfs/dbraw/zinc/07/88/85/1325078885.db2.gz OBCFOBCOZWYXSJ-QGZVFWFLSA-N 2 0 329.492 3.427 20 0 EGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ncco1 ZINC000925223116 1325086479 /nfs/dbraw/zinc/08/64/79/1325086479.db2.gz VDAIAEBPPAKXRQ-QGZVFWFLSA-N 2 0 343.471 3.397 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925239078 1325091299 /nfs/dbraw/zinc/09/12/99/1325091299.db2.gz CKACVGIXBYBAHR-TZIWHRDSSA-N 2 0 341.499 3.426 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026935007 1325091829 /nfs/dbraw/zinc/09/18/29/1325091829.db2.gz GVWWPCOKXZSYAD-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925286055 1325115177 /nfs/dbraw/zinc/11/51/77/1325115177.db2.gz YSKVDIKMRYRBGR-IOMROCGXSA-N 2 0 345.531 3.042 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)cc2)c1 ZINC000925515563 1325185624 /nfs/dbraw/zinc/18/56/24/1325185624.db2.gz FSMKHKXMSAQXQV-LEWJYISDSA-N 2 0 338.499 3.189 20 0 EGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925528489 1325192778 /nfs/dbraw/zinc/19/27/78/1325192778.db2.gz VBTGUKSLZHBCEV-VTZQMFNYSA-N 2 0 326.484 3.049 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccccc1 ZINC000925542555 1325200392 /nfs/dbraw/zinc/20/03/92/1325200392.db2.gz HUEDRIGGGYQZIW-IBGZPJMESA-N 2 0 347.572 3.418 20 0 EGADRP Clc1cccnc1N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925553737 1325205354 /nfs/dbraw/zinc/20/53/54/1325205354.db2.gz VGBNWGMLORRTOB-BQFCYCMXSA-N 2 0 348.922 3.072 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1coc2ccccc21 ZINC000925554878 1325205422 /nfs/dbraw/zinc/20/54/22/1325205422.db2.gz DWDGFAIAFSIBSM-GDIGMMSISA-N 2 0 328.456 3.461 20 0 EGADRP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000925559573 1325209419 /nfs/dbraw/zinc/20/94/19/1325209419.db2.gz WFSYJUYMVUJCFU-VAMGGRTRSA-N 2 0 328.500 3.340 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925621543 1325234443 /nfs/dbraw/zinc/23/44/43/1325234443.db2.gz FBYYGMRKVVJHQH-JXFKEZNVSA-N 2 0 327.472 3.142 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000925672592 1325256640 /nfs/dbraw/zinc/25/66/40/1325256640.db2.gz IJJCFNYMNVPSSB-USXIJHARSA-N 2 0 344.503 3.163 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ncco1 ZINC000925688980 1325261904 /nfs/dbraw/zinc/26/19/04/1325261904.db2.gz ICSZRLVPVXDMBU-MRXNPFEDSA-N 2 0 329.444 3.043 20 0 EGADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1 ZINC000925690835 1325262423 /nfs/dbraw/zinc/26/24/23/1325262423.db2.gz LIJZCXDYRNNRPD-HSALFYBXSA-N 2 0 325.456 3.372 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000925740287 1325276847 /nfs/dbraw/zinc/27/68/47/1325276847.db2.gz HURHBWFBBSRWMJ-GJZGRUSLSA-N 2 0 341.293 3.386 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809670 1325310862 /nfs/dbraw/zinc/31/08/62/1325310862.db2.gz SONCLFVDLUEYTN-QFIPXVFZSA-N 2 0 335.495 3.177 20 0 EGADRP c1ccc([C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)nc1 ZINC000925824260 1325317476 /nfs/dbraw/zinc/31/74/76/1325317476.db2.gz WFFDDBSXWDFUOR-NRSPTQNISA-N 2 0 335.451 3.378 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000963902606 1325428765 /nfs/dbraw/zinc/42/87/65/1325428765.db2.gz NVYXDXXVDLJBBB-QHGAOEGBSA-N 2 0 349.563 3.268 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)[C@]12CCCO2 ZINC000926166989 1325454964 /nfs/dbraw/zinc/45/49/64/1325454964.db2.gz XSWNUJXXPZNIDH-XWPNQZOQSA-N 2 0 332.488 3.125 20 0 EGADRP COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926214995 1325474615 /nfs/dbraw/zinc/47/46/15/1325474615.db2.gz SZMWBUJYJYSZKS-JKSUJKDBSA-N 2 0 347.503 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000964015711 1325475522 /nfs/dbraw/zinc/47/55/22/1325475522.db2.gz XFDVXJPZRAWZMV-ACBHZAAOSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926359862 1325527332 /nfs/dbraw/zinc/52/73/32/1325527332.db2.gz YLBHUDQYJUQFRR-LAUBAEHRSA-N 2 0 326.484 3.393 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926416532 1325546728 /nfs/dbraw/zinc/54/67/28/1325546728.db2.gz BOZRHALMCZPKEU-VOIUYBSRSA-N 2 0 344.524 3.478 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424164 1325548979 /nfs/dbraw/zinc/54/89/79/1325548979.db2.gz MNLZDOXQOZYLEV-IXDOHACOSA-N 2 0 342.405 3.345 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000926436770 1325553880 /nfs/dbraw/zinc/55/38/80/1325553880.db2.gz MLEYXRIJHGRIML-QAJUQPOASA-N 2 0 343.515 3.046 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)CC1 ZINC000926530988 1325588128 /nfs/dbraw/zinc/58/81/28/1325588128.db2.gz DOOGKBLIKVQTMF-VQTJNVASSA-N 2 0 331.504 3.402 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027410504 1327636127 /nfs/dbraw/zinc/63/61/27/1327636127.db2.gz XWBQPACMUIADKP-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447970 1327690465 /nfs/dbraw/zinc/69/04/65/1327690465.db2.gz CRNJXCOIZFKLQC-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926889613 1327758400 /nfs/dbraw/zinc/75/84/00/1327758400.db2.gz MAAUDZIERNMUFA-MGPUTAFESA-N 2 0 330.447 3.446 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927062059 1327836108 /nfs/dbraw/zinc/83/61/08/1327836108.db2.gz XDNYPJJKEFKGLP-AXDKOMKPSA-N 2 0 344.499 3.169 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001027564231 1327888231 /nfs/dbraw/zinc/88/82/31/1327888231.db2.gz UEMQNWATBNKTLO-RTBURBONSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001027575555 1327910207 /nfs/dbraw/zinc/91/02/07/1327910207.db2.gz BEEFMINTSITEDK-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027602144 1327955493 /nfs/dbraw/zinc/95/54/93/1327955493.db2.gz MDBWADLJTMJCOL-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650935 1328032746 /nfs/dbraw/zinc/03/27/46/1328032746.db2.gz KGTWUOLLXPFUCO-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682851 1328081206 /nfs/dbraw/zinc/08/12/06/1328081206.db2.gz YESINBQORMBRCH-PMACEKPBSA-N 2 0 343.515 3.156 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027693390 1328099753 /nfs/dbraw/zinc/09/97/53/1328099753.db2.gz XZLKIUCIMBPPFQ-LJQANCHMSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001027695401 1328102479 /nfs/dbraw/zinc/10/24/79/1328102479.db2.gz UGSJOIYMWWMTTO-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027795578 1328231964 /nfs/dbraw/zinc/23/19/64/1328231964.db2.gz XPTAWFKDTMVMNU-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027918812 1328396754 /nfs/dbraw/zinc/39/67/54/1328396754.db2.gz QIHHNYDVUIMIJJ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027919391 1328398057 /nfs/dbraw/zinc/39/80/57/1328398057.db2.gz VPCYPTRGWAVNDO-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001027972363 1328445653 /nfs/dbraw/zinc/44/56/53/1328445653.db2.gz UEEWOIGIJGOSIK-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027973010 1328446476 /nfs/dbraw/zinc/44/64/76/1328446476.db2.gz ZYXREMYDAMKCAT-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001027984112 1328456195 /nfs/dbraw/zinc/45/61/95/1328456195.db2.gz JMRBSJUXASLAPV-GOSISDBHSA-N 2 0 348.450 3.037 20 0 EGADRP CN1CCC[C@@H]1C[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000863498137 1329558886 /nfs/dbraw/zinc/55/88/86/1329558886.db2.gz KBXVZDQNPYDPRZ-OAHLLOKOSA-N 2 0 326.469 3.247 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cccnc2Br)C1 ZINC000865416034 1329693988 /nfs/dbraw/zinc/69/39/88/1329693988.db2.gz SGCYXPPBYXMNQH-AWEZNQCLSA-N 2 0 340.309 3.446 20 0 EGADRP CCCn1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000865508966 1329707274 /nfs/dbraw/zinc/70/72/74/1329707274.db2.gz IVHHRDPRDPPCNA-IEBWSBKVSA-N 2 0 341.503 3.078 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccsc1C(F)F ZINC000932683784 1329832995 /nfs/dbraw/zinc/83/29/95/1329832995.db2.gz DHNBVEXSOJWXSG-UHFFFAOYSA-N 2 0 347.475 3.031 20 0 EGADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1cccc(=O)[nH]1 ZINC000933402569 1329886770 /nfs/dbraw/zinc/88/67/70/1329886770.db2.gz VJQMRHAOPLEDIZ-UHFFFAOYSA-N 2 0 325.456 3.405 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1)CC1CC1 ZINC000935214822 1330035873 /nfs/dbraw/zinc/03/58/73/1330035873.db2.gz GPOZOHYGAFTHFT-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000866306287 1330093877 /nfs/dbraw/zinc/09/38/77/1330093877.db2.gz DASCMBHDLSONFH-VAMGGRTRSA-N 2 0 332.463 3.171 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000866336861 1330098183 /nfs/dbraw/zinc/09/81/83/1330098183.db2.gz NUNZIMFDWOHPLY-TZIWHRDSSA-N 2 0 339.483 3.135 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000866467974 1330116184 /nfs/dbraw/zinc/11/61/84/1330116184.db2.gz WDYUEIXTEXSCIV-IXDOHACOSA-N 2 0 328.591 3.466 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CCCCC1 ZINC000868092405 1330248114 /nfs/dbraw/zinc/24/81/14/1330248114.db2.gz GZISRKCDZIJEKB-JCNLHEQBSA-N 2 0 344.503 3.310 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868187135 1330260313 /nfs/dbraw/zinc/26/03/13/1330260313.db2.gz DYBGTNVILLGFGU-FHLIZLRMSA-N 2 0 344.503 3.133 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237401 1331402273 /nfs/dbraw/zinc/40/22/73/1331402273.db2.gz MSSUZZNUMBVBSM-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC000943755716 1332254675 /nfs/dbraw/zinc/25/46/75/1332254675.db2.gz HOPJUCOUXLBYHM-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)C[C@@H]2C)CC1 ZINC000943756361 1332254878 /nfs/dbraw/zinc/25/48/78/1332254878.db2.gz OWTYLMQJMALXIR-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859446 1332918014 /nfs/dbraw/zinc/91/80/14/1332918014.db2.gz VGZZGDQWNDVDOA-YSTOQKLRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361226 1333102879 /nfs/dbraw/zinc/10/28/79/1333102879.db2.gz MRWFNOKKEJETHW-HOCLYGCPSA-N 2 0 337.533 3.048 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC000947361804 1333103438 /nfs/dbraw/zinc/10/34/38/1333103438.db2.gz RLCSGFPENVLMTB-WMLDXEAASA-N 2 0 349.544 3.193 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCCC1CCC1 ZINC000947493060 1333145919 /nfs/dbraw/zinc/14/59/19/1333145919.db2.gz PSTSPMKHZXLNIB-PKOBYXMFSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC000947616655 1333193922 /nfs/dbraw/zinc/19/39/22/1333193922.db2.gz RATPHOYRZQYTRE-DOTOQJQBSA-N 2 0 349.544 3.092 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725713 1333241319 /nfs/dbraw/zinc/24/13/19/1333241319.db2.gz CARPCGUFQMIAOU-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947726532 1333241773 /nfs/dbraw/zinc/24/17/73/1333241773.db2.gz PSRCTECVUDUKBJ-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947800186 1333265813 /nfs/dbraw/zinc/26/58/13/1333265813.db2.gz GPTCYAFRHJNUTL-FXAWDEMLSA-N 2 0 343.515 3.297 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057507 1333358498 /nfs/dbraw/zinc/35/84/98/1333358498.db2.gz WRDAGSIGBNAIIZ-VQIMIIECSA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)[C@@H](C)C2)o1 ZINC000948079151 1333368511 /nfs/dbraw/zinc/36/85/11/1333368511.db2.gz UMCKOFNEBDCZFH-RDJZCZTQSA-N 2 0 347.503 3.114 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591183 1333587838 /nfs/dbraw/zinc/58/78/38/1333587838.db2.gz RLVVGMYXSQYRQS-SFHVURJKSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620785 1333599417 /nfs/dbraw/zinc/59/94/17/1333599417.db2.gz HYDSWBKYQUIWOF-SFHVURJKSA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948619970 1333599776 /nfs/dbraw/zinc/59/97/76/1333599776.db2.gz ARVWOFYYRKFHJD-SFHVURJKSA-N 2 0 340.471 3.227 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643177 1333609197 /nfs/dbraw/zinc/60/91/97/1333609197.db2.gz RLZJMPMFXWHHJQ-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(C)C)CC2)C1 ZINC000948710318 1333642065 /nfs/dbraw/zinc/64/20/65/1333642065.db2.gz AFCHBHGQISBLHA-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC000948711381 1333642600 /nfs/dbraw/zinc/64/26/00/1333642600.db2.gz PACCPVOXRFPKGN-VQTJNVASSA-N 2 0 349.563 3.388 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948741398 1333654543 /nfs/dbraw/zinc/65/45/43/1333654543.db2.gz ABVUNIRIRSIKOK-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000948769694 1333670834 /nfs/dbraw/zinc/67/08/34/1333670834.db2.gz CPHGDUBGRONTDE-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948775738 1333674246 /nfs/dbraw/zinc/67/42/46/1333674246.db2.gz PTRDAVQDDVVQHO-FUHWJXTLSA-N 2 0 349.544 3.045 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000948833426 1333703567 /nfs/dbraw/zinc/70/35/67/1333703567.db2.gz SGTRWCXUTQTICL-UUKMXZOPSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000949307233 1333820026 /nfs/dbraw/zinc/82/00/26/1333820026.db2.gz ADKZVANDKLYQNS-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950063325 1334006142 /nfs/dbraw/zinc/00/61/42/1334006142.db2.gz ICOHSWDFMOLENV-QLOJAFMTSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000950524458 1334084821 /nfs/dbraw/zinc/08/48/21/1334084821.db2.gz PWPXRSYBFHQSGP-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000950635170 1334099978 /nfs/dbraw/zinc/09/99/78/1334099978.db2.gz GESVJEMBLJREBP-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CCC(C)(C)C)C2)C1 ZINC000951213461 1334209683 /nfs/dbraw/zinc/20/96/83/1334209683.db2.gz WXPBCRJLHRPEKH-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330591 1335891150 /nfs/dbraw/zinc/89/11/50/1335891150.db2.gz BREUUJAAUGGNQW-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968331961 1335892215 /nfs/dbraw/zinc/89/22/15/1335892215.db2.gz SNHARYFBLOFYGU-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC2=CCCCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968386801 1335914991 /nfs/dbraw/zinc/91/49/91/1335914991.db2.gz PPXDLUMEXPPJIB-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683010 1336009280 /nfs/dbraw/zinc/00/92/80/1336009280.db2.gz XGZDBBWMYIQOGA-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC000968904026 1336085144 /nfs/dbraw/zinc/08/51/44/1336085144.db2.gz GUHFGAQYSFOMMO-ZWKOTPCHSA-N 2 0 343.515 3.039 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926141 1336091873 /nfs/dbraw/zinc/09/18/73/1336091873.db2.gz VSHLHMAMQLTACJ-KRWDZBQOSA-N 2 0 342.487 3.417 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936195 1336095822 /nfs/dbraw/zinc/09/58/22/1336095822.db2.gz CYJGBRDSDVMWCQ-DOTOQJQBSA-N 2 0 346.450 3.057 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2CCCC2)CC1 ZINC000969013623 1336118566 /nfs/dbraw/zinc/11/85/66/1336118566.db2.gz BINPYKBCNSNAQP-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060256 1336133773 /nfs/dbraw/zinc/13/37/73/1336133773.db2.gz XYVAYPXKZGMBCB-OALUTQOASA-N 2 0 337.552 3.410 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)ccc2c[nH+]cn21 ZINC000969156739 1336165951 /nfs/dbraw/zinc/16/59/51/1336165951.db2.gz BYBJGXPXECCZPM-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CN(C(=O)c1sccc1C[NH+](C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001005475734 1336358028 /nfs/dbraw/zinc/35/80/28/1336358028.db2.gz PQXACSPJDVDPMT-UHFFFAOYSA-N 2 0 349.544 3.146 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005502955 1336363121 /nfs/dbraw/zinc/36/31/21/1336363121.db2.gz GNAOYYXIPWXTRL-HXUWFJFHSA-N 2 0 347.547 3.282 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005503972 1336363434 /nfs/dbraw/zinc/36/34/34/1336363434.db2.gz OLYSCKHRVLCWKF-XLIONFOSSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503976 1336363453 /nfs/dbraw/zinc/36/34/53/1336363453.db2.gz OYYTUDVDBRFESW-LJQANCHMSA-N 2 0 335.536 3.138 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005628138 1336384904 /nfs/dbraw/zinc/38/49/04/1336384904.db2.gz BTUSJTCQLRWSBB-UHFFFAOYSA-N 2 0 340.471 3.145 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005814447 1336404172 /nfs/dbraw/zinc/40/41/72/1336404172.db2.gz DRYMCGJNBBMXBR-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001005884573 1336415546 /nfs/dbraw/zinc/41/55/46/1336415546.db2.gz NIUOHBUNFPYIQK-WMZOPIPTSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006001426 1336436230 /nfs/dbraw/zinc/43/62/30/1336436230.db2.gz NPMAHUYCVJZIQJ-XLIONFOSSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006082863 1336449469 /nfs/dbraw/zinc/44/94/69/1336449469.db2.gz CMJSLCANBOUZON-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006276286 1336480588 /nfs/dbraw/zinc/48/05/88/1336480588.db2.gz BOCCATNAHGKABP-LJQANCHMSA-N 2 0 337.552 3.364 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001006923971 1336607955 /nfs/dbraw/zinc/60/79/55/1336607955.db2.gz GRZNCMUBTWLJMO-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007747697 1336693989 /nfs/dbraw/zinc/69/39/89/1336693989.db2.gz RDUVHVDSVIULHO-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007799225 1336702963 /nfs/dbraw/zinc/70/29/63/1336702963.db2.gz HZRKUWAHLFZTDP-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008746767 1336919247 /nfs/dbraw/zinc/91/92/47/1336919247.db2.gz JOBAUXUHCXETMJ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759129 1336921476 /nfs/dbraw/zinc/92/14/76/1336921476.db2.gz DEMBRCQYLUBHPJ-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)C2)o1 ZINC001009686322 1337059858 /nfs/dbraw/zinc/05/98/58/1337059858.db2.gz WGGRNVDMCOEKMI-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)C2)o1 ZINC001009686321 1337060156 /nfs/dbraw/zinc/06/01/56/1337060156.db2.gz WGGRNVDMCOEKMI-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433452 1337776723 /nfs/dbraw/zinc/77/67/23/1337776723.db2.gz KJNWBGQKHRPCQV-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2=CCCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014724934 1337886511 /nfs/dbraw/zinc/88/65/11/1337886511.db2.gz YBQBLXLYMWWKHR-AZUAARDMSA-N 2 0 345.531 3.084 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291560 1338086542 /nfs/dbraw/zinc/08/65/42/1338086542.db2.gz SVLUDXSVYJNIKH-UYAOXDASSA-N 2 0 348.450 3.290 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015504581 1338162053 /nfs/dbraw/zinc/16/20/53/1338162053.db2.gz PNACCGNMUDNHAA-IEBWSBKVSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001015704563 1338269376 /nfs/dbraw/zinc/26/93/76/1338269376.db2.gz CZBXFBZGZBUYGC-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015895719 1338351163 /nfs/dbraw/zinc/35/11/63/1338351163.db2.gz AFYAEWHFLABYJH-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001015930930 1338363649 /nfs/dbraw/zinc/36/36/49/1338363649.db2.gz WWFBQEHHHZUGPE-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788526 1338727542 /nfs/dbraw/zinc/72/75/42/1338727542.db2.gz ZPPTZAYYRVKTRU-OALUTQOASA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2)[NH+]1CCCCCC1 ZINC001016859399 1338749443 /nfs/dbraw/zinc/74/94/43/1338749443.db2.gz ALTZQCRAPMCSRB-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016862220 1338751314 /nfs/dbraw/zinc/75/13/14/1338751314.db2.gz TXSYZKGPHTXWQI-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016877167 1338756631 /nfs/dbraw/zinc/75/66/31/1338756631.db2.gz JTZNBVNPFTUFTR-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016984549 1338792253 /nfs/dbraw/zinc/79/22/53/1338792253.db2.gz DYXMYRFIEDFZKF-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCCC3)C2)CCC1 ZINC001017141343 1338894013 /nfs/dbraw/zinc/89/40/13/1338894013.db2.gz DPXQVPOFVSLCLV-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017143737 1338894471 /nfs/dbraw/zinc/89/44/71/1338894471.db2.gz YWRMFLFLSSQBHY-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001017156003 1338906320 /nfs/dbraw/zinc/90/63/20/1338906320.db2.gz PYQLMUPKDKFMNT-QGZVFWFLSA-N 2 0 337.552 3.218 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001017261138 1338988951 /nfs/dbraw/zinc/98/89/51/1338988951.db2.gz RXJQPSCKJCKZAQ-SOAGJPPSSA-N 2 0 349.563 3.079 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001017268444 1338994722 /nfs/dbraw/zinc/99/47/22/1338994722.db2.gz ZVGSAVZRZBQNFC-IOJLRTSASA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018837791 1339735818 /nfs/dbraw/zinc/73/58/18/1339735818.db2.gz RCMJYRMGWZQHDI-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001018849183 1339737582 /nfs/dbraw/zinc/73/75/82/1339737582.db2.gz QKKBYBVUCPWJBQ-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028092672 1340420847 /nfs/dbraw/zinc/42/08/47/1340420847.db2.gz BMXVGOISHBWQCN-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCC1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093876 1340422109 /nfs/dbraw/zinc/42/21/09/1340422109.db2.gz PUHKYGNDGCHSDA-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001028334983 1340572551 /nfs/dbraw/zinc/57/25/51/1340572551.db2.gz LZINEORPGHROQU-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028647104 1340741931 /nfs/dbraw/zinc/74/19/31/1340741931.db2.gz FIGJGZQXWWGVEG-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028646805 1340742426 /nfs/dbraw/zinc/74/24/26/1340742426.db2.gz AUNBHFAGRJKYNG-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001028754514 1340790752 /nfs/dbraw/zinc/79/07/52/1340790752.db2.gz GFBCMMQUQIZZCR-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001029121475 1340934952 /nfs/dbraw/zinc/93/49/52/1340934952.db2.gz ROELJEXRFVJMKZ-QGZVFWFLSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001029154830 1340944711 /nfs/dbraw/zinc/94/47/11/1340944711.db2.gz QJXJTZBJCVQUSR-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001029164793 1340946414 /nfs/dbraw/zinc/94/64/14/1340946414.db2.gz QJOKXYXFLBZXNT-LAUBAEHRSA-N 2 0 345.531 3.089 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001029173410 1340948558 /nfs/dbraw/zinc/94/85/58/1340948558.db2.gz PWVIUXSHARHHDM-HKUYNNGSSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001029336714 1340973724 /nfs/dbraw/zinc/97/37/24/1340973724.db2.gz WUMUHLGPRPEYFD-GBESFXJTSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001029356257 1340976543 /nfs/dbraw/zinc/97/65/43/1340976543.db2.gz HQWVQSQKJJGPTE-IJXRJRJASA-N 2 0 343.515 3.071 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029375056 1340980148 /nfs/dbraw/zinc/98/01/48/1340980148.db2.gz CZOXDCKOBIGCRN-CEXWTWQISA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001029550414 1341010682 /nfs/dbraw/zinc/01/06/82/1341010682.db2.gz LQEHRWJQZJAMRT-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029800790 1341077153 /nfs/dbraw/zinc/07/71/53/1341077153.db2.gz ZJNXNBXUDDOKBZ-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCC3)C2)CC1 ZINC001029880784 1341102558 /nfs/dbraw/zinc/10/25/58/1341102558.db2.gz MBQGQLRPFDQBOW-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCC1)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001029970607 1341138824 /nfs/dbraw/zinc/13/88/24/1341138824.db2.gz JOCRKFLOGFMZIK-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029976777 1341141507 /nfs/dbraw/zinc/14/15/07/1341141507.db2.gz NVPMHMQSKIEIFY-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001030020740 1341159860 /nfs/dbraw/zinc/15/98/60/1341159860.db2.gz YWGWATAHOWQEIK-TZCBXBLLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001030444356 1341188055 /nfs/dbraw/zinc/18/80/55/1341188055.db2.gz IKDIWZFBVNJRDC-IBGZPJMESA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H](C(=O)NC1C[NH+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001031045042 1341269224 /nfs/dbraw/zinc/26/92/24/1341269224.db2.gz HZUHYHVWBHKEPT-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001031188126 1341292414 /nfs/dbraw/zinc/29/24/14/1341292414.db2.gz BTRXXSSIIPUDTQ-UHFFFAOYSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001032626451 1341564475 /nfs/dbraw/zinc/56/44/75/1341564475.db2.gz GEXYPIWCGSNKDN-IHPCNDPISA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033125448 1341733110 /nfs/dbraw/zinc/73/31/10/1341733110.db2.gz DYTZKJCITCSSAG-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033125182 1341733125 /nfs/dbraw/zinc/73/31/25/1341733125.db2.gz AIPVZRZLLUTGLK-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033145834 1341738751 /nfs/dbraw/zinc/73/87/51/1341738751.db2.gz KRFOQXOMIVNUGL-QZTJIDSGSA-N 2 0 337.552 3.218 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033318132 1341779289 /nfs/dbraw/zinc/77/92/89/1341779289.db2.gz HBANBOFXLQXNCV-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033685554 1341951089 /nfs/dbraw/zinc/95/10/89/1341951089.db2.gz MXJRGMMWVTVWNL-GOSISDBHSA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033832931 1342032664 /nfs/dbraw/zinc/03/26/64/1342032664.db2.gz BYCWWTXLTUDZIF-MISYRCLQSA-N 2 0 347.547 3.140 20 0 EGADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001033888718 1342062369 /nfs/dbraw/zinc/06/23/69/1342062369.db2.gz SQJOIKASYFFIOR-LJQANCHMSA-N 2 0 348.450 3.071 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990253 1342133851 /nfs/dbraw/zinc/13/38/51/1342133851.db2.gz TWSNGCRJYUHQPC-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203613 1342313822 /nfs/dbraw/zinc/31/38/22/1342313822.db2.gz FXDDPKCZLLYXKF-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203615 1342314016 /nfs/dbraw/zinc/31/40/16/1342314016.db2.gz FXDDPKCZLLYXKF-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034205440 1342316315 /nfs/dbraw/zinc/31/63/15/1342316315.db2.gz WPRKDACWOWGAGC-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034205817 1342316356 /nfs/dbraw/zinc/31/63/56/1342316356.db2.gz YYTBLBVBOSQCPF-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001034211894 1342321293 /nfs/dbraw/zinc/32/12/93/1342321293.db2.gz PQPGXDRAQFSFEY-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034239217 1342340290 /nfs/dbraw/zinc/34/02/90/1342340290.db2.gz JFFURCRCTPIRJE-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250509 1342348255 /nfs/dbraw/zinc/34/82/55/1342348255.db2.gz RGNNYAQYGHLGMC-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364092 1342434190 /nfs/dbraw/zinc/43/41/90/1342434190.db2.gz QIEZKVHTJUKPIL-WDSOQIARSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CC=C(C)C)C2)C1 ZINC001034367956 1342437047 /nfs/dbraw/zinc/43/70/47/1342437047.db2.gz ITWXUYJIYGQSBV-OALUTQOASA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034393671 1342462130 /nfs/dbraw/zinc/46/21/30/1342462130.db2.gz GWHNKOWUKBCZJM-AZUAARDMSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034400206 1342465899 /nfs/dbraw/zinc/46/58/99/1342465899.db2.gz WYAQEXRYCGVTET-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001034398211 1342466679 /nfs/dbraw/zinc/46/66/79/1342466679.db2.gz NLCWNUYHOPIKKX-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001034690566 1342694941 /nfs/dbraw/zinc/69/49/41/1342694941.db2.gz VIZDPTSVMPRTQO-XQZJPKQNSA-N 2 0 340.471 3.011 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001034715926 1342711201 /nfs/dbraw/zinc/71/12/01/1342711201.db2.gz XITVIPFOEUMVBQ-LEAZDLGRSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)CCc1ccc(F)cc1Cl ZINC001209115068 1372002260 /nfs/dbraw/zinc/00/22/60/1372002260.db2.gz ZSHMHIWMHVPBBL-UHFFFAOYSA-N 2 0 343.918 3.227 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001034775483 1342753311 /nfs/dbraw/zinc/75/33/11/1342753311.db2.gz ASDJVFNERKTPHO-PIKOESSRSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001034939897 1342844623 /nfs/dbraw/zinc/84/46/23/1342844623.db2.gz QNKSZDVJKOBLCT-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001034958139 1342852315 /nfs/dbraw/zinc/85/23/15/1342852315.db2.gz BECYQEBROWFADT-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001035047727 1342897809 /nfs/dbraw/zinc/89/78/09/1342897809.db2.gz JVZPWTRHWDGVPV-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@@H](C)CC)C2)CC1 ZINC001035189199 1343003288 /nfs/dbraw/zinc/00/32/88/1343003288.db2.gz XYCRBDGWXKTWJH-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035725573 1343154194 /nfs/dbraw/zinc/15/41/94/1343154194.db2.gz ZFPNEANDTZKYOL-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+](CC3CCCCCC3)C2)CC1)[NH+](C)C ZINC001035733565 1343159573 /nfs/dbraw/zinc/15/95/73/1343159573.db2.gz VJYWDPGNMUTDBH-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810413 1343210045 /nfs/dbraw/zinc/21/00/45/1343210045.db2.gz KKLRTKWNVYRPGB-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036137862 1343323186 /nfs/dbraw/zinc/32/31/86/1343323186.db2.gz PWZZQKIVUXYSMN-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001036181456 1343350531 /nfs/dbraw/zinc/35/05/31/1343350531.db2.gz WUJLAPSSIJUUHE-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036204413 1343362327 /nfs/dbraw/zinc/36/23/27/1343362327.db2.gz SACPKEDFPZBAAA-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001036423117 1343477262 /nfs/dbraw/zinc/47/72/62/1343477262.db2.gz ZUVFHACTUIGWKO-WMZOPIPTSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001036445972 1343492417 /nfs/dbraw/zinc/49/24/17/1343492417.db2.gz XNGSIXWIXLDDHY-HKUYNNGSSA-N 2 0 345.531 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]C(C)C)C2)o1 ZINC001036474574 1343505368 /nfs/dbraw/zinc/50/53/68/1343505368.db2.gz SDNOVEUBGOYHKX-DLBZAZTESA-N 2 0 349.519 3.360 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854594 1343788811 /nfs/dbraw/zinc/78/88/11/1343788811.db2.gz NXMVLGFEDSQCLR-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001037072351 1343966476 /nfs/dbraw/zinc/96/64/76/1343966476.db2.gz VIMITKFCRHQDCU-PMACEKPBSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1)c1ccn2c[nH+]cc2c1 ZINC001037205190 1344040821 /nfs/dbraw/zinc/04/08/21/1344040821.db2.gz YIKDVTUDLTXYSA-PKOBYXMFSA-N 2 0 340.471 3.013 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1[NH2+]C(C)C ZINC001037871554 1344153288 /nfs/dbraw/zinc/15/32/88/1344153288.db2.gz CLNFVSLJKYTGPV-WMZOPIPTSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1[NH2+]C(C)C ZINC001037888664 1344163146 /nfs/dbraw/zinc/16/31/46/1344163146.db2.gz ZHABPIHSBBYQAE-FXAWDEMLSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038238193 1344337658 /nfs/dbraw/zinc/33/76/58/1344337658.db2.gz GELFNAXEQKLXSB-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038319595 1344377880 /nfs/dbraw/zinc/37/78/80/1344377880.db2.gz AWULTWOEASDAJM-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038320216 1344378472 /nfs/dbraw/zinc/37/84/72/1344378472.db2.gz HJFQTMZKGVJDQY-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038352445 1344393433 /nfs/dbraw/zinc/39/34/33/1344393433.db2.gz HKKVPUWSAORVDO-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038444496 1344430675 /nfs/dbraw/zinc/43/06/75/1344430675.db2.gz MVSKHYYAQBVRAP-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038622006 1344508816 /nfs/dbraw/zinc/50/88/16/1344508816.db2.gz LQKPIPBEBYTSIN-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137475 1344817437 /nfs/dbraw/zinc/81/74/37/1344817437.db2.gz HFZBQNHMFKSYCQ-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039302091 1345004501 /nfs/dbraw/zinc/00/45/01/1345004501.db2.gz WGDVRFCEWRBCJM-QBUWPKIASA-N 2 0 335.536 3.163 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001039681638 1345157914 /nfs/dbraw/zinc/15/79/14/1345157914.db2.gz KZYDKHYWJCSSDD-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001039919892 1345245951 /nfs/dbraw/zinc/24/59/51/1345245951.db2.gz KZYDKHYWJCSSDD-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001040005738 1345284714 /nfs/dbraw/zinc/28/47/14/1345284714.db2.gz CZDJIUGTCLQWQJ-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001040350034 1345448194 /nfs/dbraw/zinc/44/81/94/1345448194.db2.gz IXNULSIGODTCLL-PZJWPPBQSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040393416 1345473623 /nfs/dbraw/zinc/47/36/23/1345473623.db2.gz BOUXNXLUICNRTA-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432241 1345494571 /nfs/dbraw/zinc/49/45/71/1345494571.db2.gz NLAMWOCROZDPRG-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC)C2 ZINC001040489598 1345516967 /nfs/dbraw/zinc/51/69/67/1345516967.db2.gz VXAVSDYVQFPQJY-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733276 1345572500 /nfs/dbraw/zinc/57/25/00/1345572500.db2.gz RFIJMCPOHWAXGH-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948567 1345607614 /nfs/dbraw/zinc/60/76/14/1345607614.db2.gz UMZNQNZMSQPXTL-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424585 1345725491 /nfs/dbraw/zinc/72/54/91/1345725491.db2.gz LZNMRWVWOQBKIO-OAQYLSRUSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001041644806 1345808805 /nfs/dbraw/zinc/80/88/05/1345808805.db2.gz GZTUKALBZIRVMC-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724489 1345833055 /nfs/dbraw/zinc/83/30/55/1345833055.db2.gz YYXGQGQSZIDAOU-FPOVZHCZSA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233080 1345998745 /nfs/dbraw/zinc/99/87/45/1345998745.db2.gz CJGAJMUYJFNQCD-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001042924778 1346125365 /nfs/dbraw/zinc/12/53/65/1346125365.db2.gz UTJAVWQEOMATKM-HXUWFJFHSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044628679 1346387118 /nfs/dbraw/zinc/38/71/18/1346387118.db2.gz IQWZFGJOHYPPPR-MJGOQNOKSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001044681328 1346402382 /nfs/dbraw/zinc/40/23/82/1346402382.db2.gz LSIRVJYNWXEBGH-APWZRJJASA-N 2 0 348.450 3.117 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C[C@@H]2C)CC1 ZINC001044794323 1346429267 /nfs/dbraw/zinc/42/92/67/1346429267.db2.gz VMWYYUXEHGUTLP-ICSRJNTNSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857659 1346446910 /nfs/dbraw/zinc/44/69/10/1346446910.db2.gz MJLUTXIKTZCPLQ-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001044880333 1346453383 /nfs/dbraw/zinc/45/33/83/1346453383.db2.gz WIJCDWIMXNSEIB-JKSUJKDBSA-N 2 0 335.492 3.114 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044882002 1346453805 /nfs/dbraw/zinc/45/38/05/1346453805.db2.gz WURCURCUQGXMQW-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP O=C(N1CCC[C@H]1C[NH2+]CC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001045088771 1346492648 /nfs/dbraw/zinc/49/26/48/1346492648.db2.gz RZRWIGKAUIEWFE-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001045089160 1346493222 /nfs/dbraw/zinc/49/32/22/1346493222.db2.gz BWPUOKWBGFIUIY-VQTJNVASSA-N 2 0 345.531 3.231 20 0 EGADRP Cc1c(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2)ccc2c[nH+]cn21 ZINC001045102271 1346495092 /nfs/dbraw/zinc/49/50/92/1346495092.db2.gz ZGYMTNRRHLRBIV-SFHVURJKSA-N 2 0 348.450 3.037 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045106334 1346495409 /nfs/dbraw/zinc/49/54/09/1346495409.db2.gz KBWYLNLCLJZLKJ-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045167459 1346513839 /nfs/dbraw/zinc/51/38/39/1346513839.db2.gz YDZZPFTYDOMIPL-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001045229055 1346536316 /nfs/dbraw/zinc/53/63/16/1346536316.db2.gz HHUROKVCQMTDHF-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001045443807 1346595273 /nfs/dbraw/zinc/59/52/73/1346595273.db2.gz XLTRKEMCSLUETL-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001045504421 1346611841 /nfs/dbraw/zinc/61/18/41/1346611841.db2.gz NKVQMIZERSZOTO-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001045842146 1346717196 /nfs/dbraw/zinc/71/71/96/1346717196.db2.gz XGIKNKPGNHDZDK-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046562323 1347017991 /nfs/dbraw/zinc/01/79/91/1347017991.db2.gz MJFPXDJRSLLIKL-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC3CCC3)C2)o1 ZINC001046863819 1347137168 /nfs/dbraw/zinc/13/71/68/1347137168.db2.gz ILONLALIDICSFV-HXUWFJFHSA-N 2 0 347.503 3.116 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](C(C)C)C3)o1 ZINC001047209804 1347245237 /nfs/dbraw/zinc/24/52/37/1347245237.db2.gz XFXXBPDCGJUVCQ-BBWFWOEESA-N 2 0 347.503 3.113 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001047241111 1347267805 /nfs/dbraw/zinc/26/78/05/1347267805.db2.gz LBAXRZATLNWGFX-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001047258387 1347281266 /nfs/dbraw/zinc/28/12/66/1347281266.db2.gz YQZCYBZBYXWZFF-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CC3CCCC3)C2)CC1 ZINC001048022346 1347442274 /nfs/dbraw/zinc/44/22/74/1347442274.db2.gz UOWSVBSFTNXYQY-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048069341 1347458680 /nfs/dbraw/zinc/45/86/80/1347458680.db2.gz PLWXVIPUFVVHON-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527537 1347578547 /nfs/dbraw/zinc/57/85/47/1347578547.db2.gz ROTZOEHDIYDJAM-UHZRXMQZSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001048590597 1347609947 /nfs/dbraw/zinc/60/99/47/1347609947.db2.gz PYOXZUKFXQBQHN-FNLKRUPLSA-N 2 0 343.515 3.129 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)CC1 ZINC001048622219 1347622358 /nfs/dbraw/zinc/62/23/58/1347622358.db2.gz XVZOWHJDWVUWIQ-WGSAOQKQSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCCC1 ZINC001049369412 1347808145 /nfs/dbraw/zinc/80/81/45/1347808145.db2.gz OCYSXRCKQLUDTQ-XUVXKRRUSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1=CCCCC1 ZINC001049370512 1347808730 /nfs/dbraw/zinc/80/87/30/1347808730.db2.gz VYBQTEZKAXDCHY-XUVXKRRUSA-N 2 0 345.531 3.036 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049504217 1347881326 /nfs/dbraw/zinc/88/13/26/1347881326.db2.gz FABHQGXKUGPITB-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1)C1CCC1 ZINC001049522038 1347890004 /nfs/dbraw/zinc/89/00/04/1347890004.db2.gz NZQVGUNHAZFFKA-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1)C1CCC1 ZINC001049522426 1347890955 /nfs/dbraw/zinc/89/09/55/1347890955.db2.gz PZCWBSHSHZVJLF-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001049630619 1347944029 /nfs/dbraw/zinc/94/40/29/1347944029.db2.gz RPZTZXHBNKGCQJ-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768682 1348011190 /nfs/dbraw/zinc/01/11/90/1348011190.db2.gz YPJUFGMKXBAOBK-VAMGGRTRSA-N 2 0 349.563 3.361 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079805332 1357388021 /nfs/dbraw/zinc/38/80/21/1357388021.db2.gz NIUCAIIVQYSFEM-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049908350 1348105948 /nfs/dbraw/zinc/10/59/48/1348105948.db2.gz HVHMXJKYRHLOGI-UXHICEINSA-N 2 0 343.515 3.083 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21)[NH+](C)C ZINC001050143808 1348194914 /nfs/dbraw/zinc/19/49/14/1348194914.db2.gz AFSBLAJMXFDDLZ-RNUBBMKBSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050164872 1348201538 /nfs/dbraw/zinc/20/15/38/1348201538.db2.gz NEBSDGAQROLZLO-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C)CC1CCCC1 ZINC001050244811 1348217285 /nfs/dbraw/zinc/21/72/85/1348217285.db2.gz GRCLRBHTBLAMBG-HXUWFJFHSA-N 2 0 343.515 3.019 20 0 EGADRP CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001050252380 1348218718 /nfs/dbraw/zinc/21/87/18/1348218718.db2.gz JALVZTOBJRPSAE-LJQANCHMSA-N 2 0 331.504 3.017 20 0 EGADRP CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001050252378 1348218875 /nfs/dbraw/zinc/21/88/75/1348218875.db2.gz JALVZTOBJRPSAE-IBGZPJMESA-N 2 0 331.504 3.017 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001050257502 1348220691 /nfs/dbraw/zinc/22/06/91/1348220691.db2.gz IYMQIRPVOUELPE-OXJNMPFZSA-N 2 0 343.515 3.238 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050374090 1348242420 /nfs/dbraw/zinc/24/24/20/1348242420.db2.gz NAHIYWCHSFNGSI-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050543692 1348286857 /nfs/dbraw/zinc/28/68/57/1348286857.db2.gz KCKZTTDWKKUNIK-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)CC3)CC1 ZINC001050708292 1348332976 /nfs/dbraw/zinc/33/29/76/1348332976.db2.gz PUNITSATWONOPP-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCc2c(CNC(=O)c3ccn4c[nH+]cc4c3)cccc2C1 ZINC001051292624 1348421448 /nfs/dbraw/zinc/42/14/48/1348421448.db2.gz BAJOTVZURBYSNP-UHFFFAOYSA-N 2 0 348.450 3.031 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052498673 1348559436 /nfs/dbraw/zinc/55/94/36/1348559436.db2.gz JFFHMTUUEXANDW-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052516660 1348564251 /nfs/dbraw/zinc/56/42/51/1348564251.db2.gz QHNQRWLVGMKRHK-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001052619032 1348597924 /nfs/dbraw/zinc/59/79/24/1348597924.db2.gz BVUPYVDNFARJMK-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052712381 1348644787 /nfs/dbraw/zinc/64/47/87/1348644787.db2.gz HTFCLJOZXJUMFX-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787834 1348679585 /nfs/dbraw/zinc/67/95/85/1348679585.db2.gz MQTXPOUQBZYBGG-FQEVSTJZSA-N 2 0 343.515 3.299 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052868805 1348710604 /nfs/dbraw/zinc/71/06/04/1348710604.db2.gz YEWRBMGHVZYUTC-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052937625 1348756927 /nfs/dbraw/zinc/75/69/27/1348756927.db2.gz MLEGINNVLBQEBE-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953723 1348768046 /nfs/dbraw/zinc/76/80/46/1348768046.db2.gz GTJZHGGGPKNYEN-HXUWFJFHSA-N 2 0 343.515 3.299 20 0 EGADRP CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967567 1348778247 /nfs/dbraw/zinc/77/82/47/1348778247.db2.gz JNZFHPDPNBFYET-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028460 1348827063 /nfs/dbraw/zinc/82/70/63/1348827063.db2.gz MEABUGWMKNKLLF-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053102868 1348936270 /nfs/dbraw/zinc/93/62/70/1348936270.db2.gz WPBGDTCQEWLBEL-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156232 1349158843 /nfs/dbraw/zinc/15/88/43/1349158843.db2.gz KOABHVWMVAGZRB-NRFANRHFSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)[NH+](C)C ZINC001054198736 1349200118 /nfs/dbraw/zinc/20/01/18/1349200118.db2.gz FPCZTDAMCZFUOA-RXVVDRJESA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214017 1349213058 /nfs/dbraw/zinc/21/30/58/1349213058.db2.gz OYCWNLKUXJXVTH-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245137 1349239011 /nfs/dbraw/zinc/23/90/11/1349239011.db2.gz OYVIGABTVTVPDF-FPOVZHCZSA-N 2 0 349.563 3.223 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[NH+](CCC(C)(C)C)C3)C1 ZINC001054292235 1349298085 /nfs/dbraw/zinc/29/80/85/1349298085.db2.gz WIVRKDUBIGHRQJ-GOSISDBHSA-N 2 0 343.515 3.006 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001054296313 1349301398 /nfs/dbraw/zinc/30/13/98/1349301398.db2.gz YTBJXYDLLWDBBJ-FCEWJHQRSA-N 2 0 349.494 3.054 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001054297690 1349301715 /nfs/dbraw/zinc/30/17/15/1349301715.db2.gz YWGWATAHOWQEIK-KPZODNFCSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442946 1357622601 /nfs/dbraw/zinc/62/26/01/1357622601.db2.gz UHAQHOYGZMXWNH-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554161 1357677253 /nfs/dbraw/zinc/67/72/53/1357677253.db2.gz DOYXQRQHJGYFBC-WSTZPKSXSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001080557040 1357678623 /nfs/dbraw/zinc/67/86/23/1357678623.db2.gz CISRHEDFSAGPFC-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600632 1354788864 /nfs/dbraw/zinc/78/88/64/1354788864.db2.gz OLAIYKAYOYWLPW-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCC1CCCCC1 ZINC001071794794 1354939949 /nfs/dbraw/zinc/93/99/49/1354939949.db2.gz FQBOUUZNOUNEDF-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCC2(CC2)CC1 ZINC001072081451 1355119071 /nfs/dbraw/zinc/11/90/71/1355119071.db2.gz MAHONLKMUMLRIY-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095773 1355127826 /nfs/dbraw/zinc/12/78/26/1355127826.db2.gz OCCWJYKKFLCVAI-XLIONFOSSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882593 1355482823 /nfs/dbraw/zinc/48/28/23/1355482823.db2.gz FRWCDBYZLSJJBE-KRWDZBQOSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478565 1355812615 /nfs/dbraw/zinc/81/26/15/1355812615.db2.gz OQWPSIFUXLCYJR-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCC1 ZINC001074024062 1356040244 /nfs/dbraw/zinc/04/02/44/1356040244.db2.gz VZCLTKNIRJIDST-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001074050914 1356055064 /nfs/dbraw/zinc/05/50/64/1356055064.db2.gz UOEKLYJQGLXWPE-MSOLQXFVSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001074063677 1356062357 /nfs/dbraw/zinc/06/23/57/1356062357.db2.gz QGRFTJNZDDQUFM-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001074101234 1356084462 /nfs/dbraw/zinc/08/44/62/1356084462.db2.gz IZDUQSNSISKKMI-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC001074649444 1356221241 /nfs/dbraw/zinc/22/12/41/1356221241.db2.gz YMRIASRSGFQYEJ-IHPCNDPISA-N 2 0 347.547 3.329 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074813528 1356251447 /nfs/dbraw/zinc/25/14/47/1356251447.db2.gz JJNPMPOLKDJWST-WDSOQIARSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074813703 1356251551 /nfs/dbraw/zinc/25/15/51/1356251551.db2.gz MNXIHRCLBCAJDU-IHPCNDPISA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458912 1356391433 /nfs/dbraw/zinc/39/14/33/1356391433.db2.gz SPIKJFUIFYAPNV-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2)[NH+]1CCCC1 ZINC001078696697 1357059858 /nfs/dbraw/zinc/05/98/58/1357059858.db2.gz XGBBPUHPZKCKTP-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001323147567 1387302641 /nfs/dbraw/zinc/30/26/41/1387302641.db2.gz GMEUYKPREMEKAV-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082559400 1358057001 /nfs/dbraw/zinc/05/70/01/1358057001.db2.gz DQBRJNNKHCBFHT-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082783197 1358092442 /nfs/dbraw/zinc/09/24/42/1358092442.db2.gz GYKZFBSYULJDNG-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082943346 1358107052 /nfs/dbraw/zinc/10/70/52/1358107052.db2.gz FGPPEHAOECKXFM-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084405657 1358207635 /nfs/dbraw/zinc/20/76/35/1358207635.db2.gz XILXCPIBPWORHM-GUDVDZBRSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469656 1358220736 /nfs/dbraw/zinc/22/07/36/1358220736.db2.gz GQBKZGWGGXCWQR-ZHALLVOQSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001183582314 1387321006 /nfs/dbraw/zinc/32/10/06/1387321006.db2.gz LJSZFLWAFXWOIP-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001084940164 1358351977 /nfs/dbraw/zinc/35/19/77/1358351977.db2.gz IPXUEVPKNPENJI-QRVBRYPASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049702 1358378767 /nfs/dbraw/zinc/37/87/67/1358378767.db2.gz SMWYJDVMXOZOHG-AQNXPRMDSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100861 1358391106 /nfs/dbraw/zinc/39/11/06/1358391106.db2.gz HYMYOHZJGNKOOD-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001085284543 1358451561 /nfs/dbraw/zinc/45/15/61/1358451561.db2.gz ASUDHOVBIFFKID-VAMGGRTRSA-N 2 0 347.547 3.068 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCC2)C1 ZINC001085333365 1358470366 /nfs/dbraw/zinc/47/03/66/1358470366.db2.gz MQMUZRMVYTXHMF-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001183760375 1387344656 /nfs/dbraw/zinc/34/46/56/1387344656.db2.gz WQZDNSVLRJJGKJ-LJQANCHMSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001183764972 1387345689 /nfs/dbraw/zinc/34/56/89/1387345689.db2.gz LBHXCIPZWIVHKD-QZTJIDSGSA-N 2 0 345.531 3.285 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085628851 1358646627 /nfs/dbraw/zinc/64/66/27/1358646627.db2.gz GOLYLETVUBQGJY-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085698978 1358692691 /nfs/dbraw/zinc/69/26/91/1358692691.db2.gz BNZDPNRFRVYOPE-VQIMIIECSA-N 2 0 348.450 3.242 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085698976 1358693775 /nfs/dbraw/zinc/69/37/75/1358693775.db2.gz BNZDPNRFRVYOPE-LPHOPBHVSA-N 2 0 348.450 3.242 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(CC)CC)C1 ZINC001085779403 1358753006 /nfs/dbraw/zinc/75/30/06/1358753006.db2.gz UWCRZHQEDZTNEG-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085779341 1358753332 /nfs/dbraw/zinc/75/33/32/1358753332.db2.gz SQEDWWADHCPVBI-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1CC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782066 1358757655 /nfs/dbraw/zinc/75/76/55/1358757655.db2.gz MFKBXWBOJJGLGL-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCCC2)CC1 ZINC001085902988 1358860945 /nfs/dbraw/zinc/86/09/45/1358860945.db2.gz RYHWORZJBSCHIE-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)C ZINC001085919047 1358878695 /nfs/dbraw/zinc/87/86/95/1358878695.db2.gz RHVZLIKMABBMCC-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001086122780 1359002854 /nfs/dbraw/zinc/00/28/54/1359002854.db2.gz YFHLATGNBKQEMJ-RAUXBKROSA-N 2 0 343.515 3.025 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086175076 1359015042 /nfs/dbraw/zinc/01/50/42/1359015042.db2.gz GDEKEFBEQMKAEW-SLFFLAALSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001086177392 1359016398 /nfs/dbraw/zinc/01/63/98/1359016398.db2.gz RVSSHZOHFRZWOO-FRYIKTPZSA-N 2 0 347.547 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086382803 1359083658 /nfs/dbraw/zinc/08/36/58/1359083658.db2.gz YLITVCQSWXQZQG-QGZVKYPTSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001086428760 1359094356 /nfs/dbraw/zinc/09/43/56/1359094356.db2.gz HZWXUUAZFYABLV-BXWFABGCSA-N 2 0 348.450 3.194 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086497454 1359120556 /nfs/dbraw/zinc/12/05/56/1359120556.db2.gz MKYPIDAXQDDJBY-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086497405 1359120732 /nfs/dbraw/zinc/12/07/32/1359120732.db2.gz KOLGEXFZRIMWJL-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086533500 1359134293 /nfs/dbraw/zinc/13/42/93/1359134293.db2.gz NVFCVWOQLGAVJN-WTGUMLROSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784837 1359201243 /nfs/dbraw/zinc/20/12/43/1359201243.db2.gz WGSZONARIKUFMN-YQVWRLOYSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784795 1359201266 /nfs/dbraw/zinc/20/12/66/1359201266.db2.gz TWFSGEQXKFTMGA-NLWGTHIKSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087165706 1359312405 /nfs/dbraw/zinc/31/24/05/1359312405.db2.gz ILESZNHTJQEPTH-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001087175614 1359313698 /nfs/dbraw/zinc/31/36/98/1359313698.db2.gz XDBODZSFVPPHRG-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001087222432 1359325924 /nfs/dbraw/zinc/32/59/24/1359325924.db2.gz BUGLZTIGDWIHOE-HBFSDRIKSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087303494 1359386829 /nfs/dbraw/zinc/38/68/29/1359386829.db2.gz MLXAYAJBMDCHHY-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001087684568 1359588116 /nfs/dbraw/zinc/58/81/16/1359588116.db2.gz AOYIHHOTYLHLDS-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC1CCCCC1 ZINC001087774079 1359636850 /nfs/dbraw/zinc/63/68/50/1359636850.db2.gz XBGHSTQSFUQQGO-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCC(C)C ZINC001087781065 1359640944 /nfs/dbraw/zinc/64/09/44/1359640944.db2.gz PFQQCYYUYFUJMP-RBUKOAKNSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791098 1359647351 /nfs/dbraw/zinc/64/73/51/1359647351.db2.gz VUKUGKVMSSQAOW-LSTHTHJFSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCCC1CCC1 ZINC001087840879 1359674765 /nfs/dbraw/zinc/67/47/65/1359674765.db2.gz RYNUYPVOFLVTOR-XUVXKRRUSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087963760 1359720937 /nfs/dbraw/zinc/72/09/37/1359720937.db2.gz GJKZMCTXVNJXLM-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)C1 ZINC001323636577 1387413640 /nfs/dbraw/zinc/41/36/40/1387413640.db2.gz FFCLHBHNUNWOQX-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCC1CCCCCC1 ZINC001088493508 1359940428 /nfs/dbraw/zinc/94/04/28/1359940428.db2.gz NMYXNPBJKOKABQ-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CCC1CC1 ZINC001088569558 1359976445 /nfs/dbraw/zinc/97/64/45/1359976445.db2.gz YVIWYZJDOCNSQC-KPFFTGBYSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001088605470 1359988517 /nfs/dbraw/zinc/98/85/17/1359988517.db2.gz UCJGCNZFRGOKLV-NJAFHUGGSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088617137 1359992574 /nfs/dbraw/zinc/99/25/74/1359992574.db2.gz ZYOOWVVRYIHBPE-HOJAQTOUSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001088621934 1359994476 /nfs/dbraw/zinc/99/44/76/1359994476.db2.gz AFZYESPVPYWTDU-UXPWSPDFSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001088810294 1360058521 /nfs/dbraw/zinc/05/85/21/1360058521.db2.gz VCSXWUIWKPWFOG-QRQLOZEOSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897400 1360097542 /nfs/dbraw/zinc/09/75/42/1360097542.db2.gz IECSENWGVNZHOH-GGPKGHCWSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001089220966 1360264607 /nfs/dbraw/zinc/26/46/07/1360264607.db2.gz VPMOSGSPIJYSRX-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089380540 1360382989 /nfs/dbraw/zinc/38/29/89/1360382989.db2.gz FJZVLLPTZFZKQV-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430793 1360422907 /nfs/dbraw/zinc/42/29/07/1360422907.db2.gz UADOVDGSOWGVBE-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475471 1360458571 /nfs/dbraw/zinc/45/85/71/1360458571.db2.gz BLQUFDLHVZIJDO-QGZVFWFLSA-N 2 0 349.519 3.218 20 0 EGADRP CC1(C)C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+](CCC2CCCC2)C1 ZINC001089562548 1360510147 /nfs/dbraw/zinc/51/01/47/1360510147.db2.gz HOTSTITVIUJEPV-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+](CCCC2CCC2)C1 ZINC001089563074 1360510335 /nfs/dbraw/zinc/51/03/35/1360510335.db2.gz OJLXDDAAZDVEQI-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCC1CCC1 ZINC001089617113 1360537332 /nfs/dbraw/zinc/53/73/32/1360537332.db2.gz UNIVZSFFRZVJGO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NCC1CC([NH2+]CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001091119119 1360994314 /nfs/dbraw/zinc/99/43/14/1360994314.db2.gz MYIFHTJFAVKZHN-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184557218 1387492075 /nfs/dbraw/zinc/49/20/75/1387492075.db2.gz UHEYPCQXOFTMGN-ZSQQTYLHSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001184561149 1387492534 /nfs/dbraw/zinc/49/25/34/1387492534.db2.gz ZTLUWHJFUOZNDW-GOSISDBHSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCCC3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780597 1361219284 /nfs/dbraw/zinc/21/92/84/1361219284.db2.gz RSENFRBTLZAPFF-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)CCCC1 ZINC001184628272 1387501217 /nfs/dbraw/zinc/50/12/17/1387501217.db2.gz HCBHNIZLZUKLAG-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1N(C)C ZINC001323990380 1387504907 /nfs/dbraw/zinc/50/49/07/1387504907.db2.gz IAPUMJVPWMNXOI-ZYSHUDEJSA-N 2 0 331.504 3.429 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056809 1361517053 /nfs/dbraw/zinc/51/70/53/1361517053.db2.gz QSSQWSLLGIPTMH-YLJYHZDGSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001093372538 1361582086 /nfs/dbraw/zinc/58/20/86/1361582086.db2.gz FJRGBUPMPUIGQN-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001093865494 1361708358 /nfs/dbraw/zinc/70/83/58/1361708358.db2.gz KVDFLADLQHORFL-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cnn(C)c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324075690 1387530054 /nfs/dbraw/zinc/53/00/54/1387530054.db2.gz IAMUBBQBVKRZTA-IHWFROFDSA-N 2 0 338.499 3.404 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001324080660 1387533087 /nfs/dbraw/zinc/53/30/87/1387533087.db2.gz JRXMJJDVPMGCIC-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430288 1361799228 /nfs/dbraw/zinc/79/92/28/1361799228.db2.gz KCYDIISZZDORKS-NLWGTHIKSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001094557371 1361858607 /nfs/dbraw/zinc/85/86/07/1361858607.db2.gz UXDURKUZEWEBKI-QWFCFKBJSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184822937 1387545234 /nfs/dbraw/zinc/54/52/34/1387545234.db2.gz XCHHHLHVZCGFKF-SJORKVTESA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001095532633 1362162886 /nfs/dbraw/zinc/16/28/86/1362162886.db2.gz JTNMBAFRMLTVNG-YRPNKDGESA-N 2 0 347.547 3.161 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095533879 1362163717 /nfs/dbraw/zinc/16/37/17/1362163717.db2.gz RMLUGCDMAVGTMT-ZRNYENFQSA-N 2 0 349.563 3.407 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668936 1362199175 /nfs/dbraw/zinc/19/91/75/1362199175.db2.gz YKYKXAVXMGGUBM-FUMNGEBKSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184892955 1387557364 /nfs/dbraw/zinc/55/73/64/1387557364.db2.gz SWHMAGJBXZTURG-OALUTQOASA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1 ZINC001324263455 1387573641 /nfs/dbraw/zinc/57/36/41/1387573641.db2.gz LWXGDBZUNLYDAK-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185030232 1387591642 /nfs/dbraw/zinc/59/16/42/1387591642.db2.gz JWPZOJJMANCWGN-ZSQQTYLHSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001097063065 1362829243 /nfs/dbraw/zinc/82/92/43/1362829243.db2.gz DQKPLOOHFOXDIV-YSTOQKLRSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001097971931 1363184332 /nfs/dbraw/zinc/18/43/32/1363184332.db2.gz LEMHTVQZKOLNCX-MKXGPGLRSA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001098463715 1363333186 /nfs/dbraw/zinc/33/31/86/1363333186.db2.gz CHVDYNFLDDWRDR-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120288 1387622738 /nfs/dbraw/zinc/62/27/38/1387622738.db2.gz QCEHFAVILPQWDW-QUOWSDGJSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098836263 1363487305 /nfs/dbraw/zinc/48/73/05/1363487305.db2.gz AELCAFVKCQHFRX-WFXMLNOXSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059937 1363600339 /nfs/dbraw/zinc/60/03/39/1363600339.db2.gz RDMYOWBBZGETRG-DYXWJJEUSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106186 1363625109 /nfs/dbraw/zinc/62/51/09/1363625109.db2.gz CJXPYQMJKYAVCV-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC001099125332 1363637994 /nfs/dbraw/zinc/63/79/94/1363637994.db2.gz DFNBKMDHNNZMQQ-RTBURBONSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001099129814 1363641491 /nfs/dbraw/zinc/64/14/91/1363641491.db2.gz BDEHYHJTCOULQA-QGZVFWFLSA-N 2 0 337.552 3.290 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099276082 1363727087 /nfs/dbraw/zinc/72/70/87/1363727087.db2.gz MYSSYLFRSJGBRS-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099311280 1363744924 /nfs/dbraw/zinc/74/49/24/1363744924.db2.gz ZKRBVLWZPWGXJO-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100383203 1364097244 /nfs/dbraw/zinc/09/72/44/1364097244.db2.gz PQIYCWIWJJJVGY-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100407021 1364104260 /nfs/dbraw/zinc/10/42/60/1364104260.db2.gz UWORDPGVJVPCNC-ABHNRTSZSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100471258 1364126996 /nfs/dbraw/zinc/12/69/96/1364126996.db2.gz WJDKREADXIFXJL-ABHNRTSZSA-N 2 0 337.552 3.027 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100613951 1364188960 /nfs/dbraw/zinc/18/89/60/1364188960.db2.gz CWWQGWABIXYCKB-VOTSOKGWSA-N 2 0 347.503 3.186 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001100734162 1364240649 /nfs/dbraw/zinc/24/06/49/1364240649.db2.gz PFFJQCHXAHICLJ-UHFFFAOYSA-N 2 0 347.547 3.093 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001100758887 1364248677 /nfs/dbraw/zinc/24/86/77/1364248677.db2.gz TZSHVGVDUHXOIV-UHFFFAOYSA-N 2 0 345.531 3.427 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001100765215 1364251596 /nfs/dbraw/zinc/25/15/96/1364251596.db2.gz YJTOTZBURLYUHD-SOFGYWHQSA-N 2 0 337.552 3.339 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCCC(C)C)C1 ZINC001100765111 1364251605 /nfs/dbraw/zinc/25/16/05/1364251605.db2.gz UBQVXAQVXHETGB-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848211 1364289392 /nfs/dbraw/zinc/28/93/92/1364289392.db2.gz CDMKWFWMPJBITQ-CIMBFISJSA-N 2 0 349.563 3.482 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100848369 1364289875 /nfs/dbraw/zinc/28/98/75/1364289875.db2.gz JDAAWTGRFVYFCG-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+]C2CC(CNC(=O)CCCC[NH+](C)C)C2)cc1C ZINC001100890134 1364314753 /nfs/dbraw/zinc/31/47/53/1364314753.db2.gz NCGIDXVFAWUWPC-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001101036022 1364383178 /nfs/dbraw/zinc/38/31/78/1364383178.db2.gz GZVRGIDMMYXRRY-RFEKHPBVSA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001101036020 1364383325 /nfs/dbraw/zinc/38/33/25/1364383325.db2.gz GZVRGIDMMYXRRY-OLFFVLKBSA-N 2 0 335.536 3.092 20 0 EGADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1)C1CCC1 ZINC001101268732 1364493188 /nfs/dbraw/zinc/49/31/88/1364493188.db2.gz RUXOTABJINUKAL-UTKZUKDTSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313595 1364505906 /nfs/dbraw/zinc/50/59/06/1364505906.db2.gz FGDYNBFAZIQWNQ-GGPKGHCWSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435232 1364562091 /nfs/dbraw/zinc/56/20/91/1364562091.db2.gz DSRMOSHBNLGFFG-POBZOTIWSA-N 2 0 349.563 3.245 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473997 1364575463 /nfs/dbraw/zinc/57/54/63/1364575463.db2.gz AKTSORRPKPTKOC-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C[NH2+]CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001101561595 1364619904 /nfs/dbraw/zinc/61/99/04/1364619904.db2.gz KHPAMNJBGUVAKW-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001101573989 1364628393 /nfs/dbraw/zinc/62/83/93/1364628393.db2.gz MMLNNRCCJROOOD-SFHVURJKSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001101596361 1364647264 /nfs/dbraw/zinc/64/72/64/1364647264.db2.gz VHJFPMDUULCYQR-IAGOWNOFSA-N 2 0 337.552 3.122 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963328 1364792402 /nfs/dbraw/zinc/79/24/02/1364792402.db2.gz VJWXAVSXAUPMDD-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060591 1364828788 /nfs/dbraw/zinc/82/87/88/1364828788.db2.gz HRFOYFNHZNXPOX-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102061951 1364829477 /nfs/dbraw/zinc/82/94/77/1364829477.db2.gz NZTUBMQZWXGBLC-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001185408713 1387706988 /nfs/dbraw/zinc/70/69/88/1387706988.db2.gz WVPLKRWUEBFILS-VQIMIIECSA-N 2 0 331.504 3.013 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102357691 1365021000 /nfs/dbraw/zinc/02/10/00/1365021000.db2.gz FRDNLJDLFSJHGK-KZNAEPCWSA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102493122 1365084638 /nfs/dbraw/zinc/08/46/38/1365084638.db2.gz XJGCQXXBHGXPSA-YKMDAGRBSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782293 1365215676 /nfs/dbraw/zinc/21/56/76/1365215676.db2.gz KJESHYVOUCFIQL-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103148102 1365409635 /nfs/dbraw/zinc/40/96/35/1365409635.db2.gz OIAAMURBKJTBSS-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103149800 1365410586 /nfs/dbraw/zinc/41/05/86/1365410586.db2.gz MFHUECHVVIYZKT-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185749 1365425136 /nfs/dbraw/zinc/42/51/36/1365425136.db2.gz OEEAHLDZMNYIKR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407471 1365542105 /nfs/dbraw/zinc/54/21/05/1365542105.db2.gz DUXJGRQBSIIJPF-FORFBYLSSA-N 2 0 337.552 3.003 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103408565 1365542856 /nfs/dbraw/zinc/54/28/56/1365542856.db2.gz IIFIHJQQDRLMAZ-BHIYHBOVSA-N 2 0 339.568 3.083 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103438401 1365561320 /nfs/dbraw/zinc/56/13/20/1365561320.db2.gz GKYIWAQLVWICNH-KZNAEPCWSA-N 2 0 339.568 3.085 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)o1 ZINC001103773775 1365777297 /nfs/dbraw/zinc/77/72/97/1365777297.db2.gz QJBTZHJAWWZQNG-IAGOWNOFSA-N 2 0 349.519 3.218 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001104452731 1366034198 /nfs/dbraw/zinc/03/41/98/1366034198.db2.gz RWFLTYCZIAXIMW-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104579242 1366085468 /nfs/dbraw/zinc/08/54/68/1366085468.db2.gz LNDWCGPRBGTMCG-GGPKGHCWSA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104600176 1366096103 /nfs/dbraw/zinc/09/61/03/1366096103.db2.gz ZJJYNYQUNJMEFU-JNVNVXKGSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185751029 1387789652 /nfs/dbraw/zinc/78/96/52/1387789652.db2.gz NPQCWXIDKQEILU-AZUAARDMSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066962 1366304360 /nfs/dbraw/zinc/30/43/60/1366304360.db2.gz HKTHXLPCCKZQLT-VJQBDMSCSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001105095443 1366323873 /nfs/dbraw/zinc/32/38/73/1366323873.db2.gz QHWPAPDEVAOQRW-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105574690 1366539539 /nfs/dbraw/zinc/53/95/39/1366539539.db2.gz FCUMTPIQJQDDMN-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106111715 1366612118 /nfs/dbraw/zinc/61/21/18/1366612118.db2.gz PYCCWRXHMGZWTO-QSMUSEHHSA-N 2 0 349.563 3.290 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210977 1366624458 /nfs/dbraw/zinc/62/44/58/1366624458.db2.gz LIBPTGPEBWIXBW-ODWICZQRSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106310248 1366649298 /nfs/dbraw/zinc/64/92/98/1366649298.db2.gz OCQWMARACWMSHL-RTBURBONSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106482309 1366708295 /nfs/dbraw/zinc/70/82/95/1366708295.db2.gz ILJYSSMRGPQPRE-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106516209 1366719603 /nfs/dbraw/zinc/71/96/03/1366719603.db2.gz JJVNRZUIIAMVSH-JNVNVXKGSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCCCC)[C@H](C)C1 ZINC001106775489 1366794675 /nfs/dbraw/zinc/79/46/75/1366794675.db2.gz KHWMXPDKVOGLMB-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C)c1ccccc1 ZINC001106778174 1366795551 /nfs/dbraw/zinc/79/55/51/1366795551.db2.gz CHTJQQPTHIVWSL-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037406 1366862569 /nfs/dbraw/zinc/86/25/69/1366862569.db2.gz CYAFKUMQGBRIOA-JCHUFIKGSA-N 2 0 349.563 3.147 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040499 1366863799 /nfs/dbraw/zinc/86/37/99/1366863799.db2.gz GZNYIVXYEJYINO-GUDVDZBRSA-N 2 0 345.531 3.080 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436408 1366962836 /nfs/dbraw/zinc/96/28/36/1366962836.db2.gz YMXCCXXOGGOMCN-NLWGTHIKSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436652 1366962985 /nfs/dbraw/zinc/96/29/85/1366962985.db2.gz IXWFUTKJDNCHGQ-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454406 1366968872 /nfs/dbraw/zinc/96/88/72/1366968872.db2.gz GKHXYKUKCMAWGO-YLJYHZDGSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189311837 1366985464 /nfs/dbraw/zinc/98/54/64/1366985464.db2.gz NIKVKGCJGDSJFY-XMLJFVSMSA-N 2 0 347.547 3.140 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)(C)C)CC3)CC1 ZINC001107520828 1367016231 /nfs/dbraw/zinc/01/62/31/1367016231.db2.gz GEHVPPPZPVDNBH-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107546933 1367036968 /nfs/dbraw/zinc/03/69/68/1367036968.db2.gz UCDSWVLOKBFAQQ-WAOWUJCRSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001107546910 1367037317 /nfs/dbraw/zinc/03/73/17/1367037317.db2.gz SWFDRPXZQMHVOX-YFVAEKQCSA-N 2 0 347.547 3.022 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609571 1367070451 /nfs/dbraw/zinc/07/04/51/1367070451.db2.gz XQTATYIPBDCOCN-BAPOODPFSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189646093 1367077388 /nfs/dbraw/zinc/07/73/88/1367077388.db2.gz HRWRJGSLTIVQAK-SLFFLAALSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635193 1367085532 /nfs/dbraw/zinc/08/55/32/1367085532.db2.gz JEXRHANMFSHQCZ-UYAOXDASSA-N 2 0 335.536 3.023 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001107644759 1367090716 /nfs/dbraw/zinc/09/07/16/1367090716.db2.gz GOSAFJBDAKYVJA-TZIWHRDSSA-N 2 0 347.547 3.023 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001189913461 1367130616 /nfs/dbraw/zinc/13/06/16/1367130616.db2.gz RIRPPNBONTUNPW-YSIASYRMSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190084750 1367168370 /nfs/dbraw/zinc/16/83/70/1367168370.db2.gz RQSVSHRTPRPJNR-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324694 1367226657 /nfs/dbraw/zinc/22/66/57/1367226657.db2.gz LGBYXOJGHOGPEV-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635410 1367255583 /nfs/dbraw/zinc/25/55/83/1367255583.db2.gz BDSMAYKUYQPUOL-ZRNYENFQSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109880013 1367378888 /nfs/dbraw/zinc/37/88/88/1367378888.db2.gz WYEKZWVWLLQVRV-ZRNYENFQSA-N 2 0 349.563 3.122 20 0 EGADRP CCc1cccc(C[NH+](C)[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)c1 ZINC001191019599 1367404382 /nfs/dbraw/zinc/40/43/82/1367404382.db2.gz NUVORXUCNHJTFQ-IBGZPJMESA-N 2 0 345.531 3.012 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC001191029773 1367405257 /nfs/dbraw/zinc/40/52/57/1367405257.db2.gz NIYGKKDRXRSOSC-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001191082359 1367420662 /nfs/dbraw/zinc/42/06/62/1367420662.db2.gz XITPIBMJZGXLPK-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163702 1367436761 /nfs/dbraw/zinc/43/67/61/1367436761.db2.gz ZTLKNTWYJGEQPK-FUHWJXTLSA-N 2 0 342.487 3.163 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001110002899 1367453816 /nfs/dbraw/zinc/45/38/16/1367453816.db2.gz ZUFZGOFQRKBUMZ-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C)c(F)c2)C1 ZINC001191258472 1367460988 /nfs/dbraw/zinc/46/09/88/1367460988.db2.gz NBECNZVKQLCFSU-MRXNPFEDSA-N 2 0 335.467 3.126 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543804 1367525323 /nfs/dbraw/zinc/52/53/23/1367525323.db2.gz SVPBYDXLJHNFGM-LIXSYLKWSA-N 2 0 349.563 3.388 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001110150640 1367526023 /nfs/dbraw/zinc/52/60/23/1367526023.db2.gz IFWQFKOAXOUQIG-AABGKKOBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108733412 1367564883 /nfs/dbraw/zinc/56/48/83/1367564883.db2.gz OOLKDCLXEABRDM-FHWLQOOXSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749477 1367572908 /nfs/dbraw/zinc/57/29/08/1367572908.db2.gz BPBXRHLLDJNLIP-PMEOWRCESA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801005 1367603678 /nfs/dbraw/zinc/60/36/78/1367603678.db2.gz PXVPRMQLGJGCLR-RGOVZJGCSA-N 2 0 349.563 3.434 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828608 1367624108 /nfs/dbraw/zinc/62/41/08/1367624108.db2.gz VKFICTARLTZYKP-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986804 1367655951 /nfs/dbraw/zinc/65/59/51/1367655951.db2.gz BVNOFUSGCZVBJJ-JTHGQSKGSA-N 2 0 347.503 3.234 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016961 1367665874 /nfs/dbraw/zinc/66/58/74/1367665874.db2.gz KLWNNAGIUGZKCL-OALUTQOASA-N 2 0 343.515 3.012 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001192366642 1367764074 /nfs/dbraw/zinc/76/40/74/1367764074.db2.gz APOCRQRXTABBPC-FQEVSTJZSA-N 2 0 345.531 3.127 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406068 1367774829 /nfs/dbraw/zinc/77/48/29/1367774829.db2.gz AAFQIHOYGQNENN-MJGOQNOKSA-N 2 0 345.531 3.258 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846815 1367886464 /nfs/dbraw/zinc/88/64/64/1367886464.db2.gz PSIOXUCJVQRSCO-YJJPMGAVSA-N 2 0 343.515 3.251 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917440 1367903603 /nfs/dbraw/zinc/90/36/03/1367903603.db2.gz OMCKESZEWOYRRN-RBUKOAKNSA-N 2 0 339.568 3.466 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917018 1367903888 /nfs/dbraw/zinc/90/38/88/1367903888.db2.gz HRFYPOPQYNQBBM-ROUUACIJSA-N 2 0 325.541 3.076 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1 ZINC001193423491 1368025635 /nfs/dbraw/zinc/02/56/35/1368025635.db2.gz APQMUNILWUSEIK-LJQANCHMSA-N 2 0 337.552 3.388 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862240 1368041437 /nfs/dbraw/zinc/04/14/37/1368041437.db2.gz DYMABORKAQUPOD-QRVBRYPASA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111021423 1368144380 /nfs/dbraw/zinc/14/43/80/1368144380.db2.gz TVDPWELPIPIXPV-MLHJIOFPSA-N 2 0 335.536 3.019 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1)CC(C)(C)C ZINC001111031506 1368147305 /nfs/dbraw/zinc/14/73/05/1368147305.db2.gz WNOJSNZUWIJJPK-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164391 1368174375 /nfs/dbraw/zinc/17/43/75/1368174375.db2.gz XMKUYCPUPIKGNW-AKHDSKFASA-N 2 0 337.552 3.265 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)c1 ZINC001194228694 1368213062 /nfs/dbraw/zinc/21/30/62/1368213062.db2.gz SMOJAENVWGMQPX-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246537 1368217584 /nfs/dbraw/zinc/21/75/84/1368217584.db2.gz OGLDYXDJKXYWCD-OVKVCFKUSA-N 2 0 343.515 3.251 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001194266253 1368220082 /nfs/dbraw/zinc/22/00/82/1368220082.db2.gz MWZCEZCFGRTBSB-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273805 1368220706 /nfs/dbraw/zinc/22/07/06/1368220706.db2.gz BDWYTUZEXPTHCT-CLJKYYQGSA-N 2 0 349.563 3.386 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275186 1368222519 /nfs/dbraw/zinc/22/25/19/1368222519.db2.gz PSOWOMCBUZSJSB-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001111268968 1368235654 /nfs/dbraw/zinc/23/56/54/1368235654.db2.gz KMLGGTLHOCYQIK-QRVBRYPASA-N 2 0 337.552 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1 ZINC001111307256 1368261535 /nfs/dbraw/zinc/26/15/35/1368261535.db2.gz FTNSAQUDDVBBPQ-AFYVEPGGSA-N 2 0 343.515 3.201 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416571 1368303916 /nfs/dbraw/zinc/30/39/16/1368303916.db2.gz RCWROUYEGPQIII-FSIHAKKGSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001111459538 1368310362 /nfs/dbraw/zinc/31/03/62/1368310362.db2.gz BUUFHGHRQXPSSL-AQNXPRMDSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111460503 1368311189 /nfs/dbraw/zinc/31/11/89/1368311189.db2.gz WEZFEFLXKSBMGK-WTGUMLROSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467288 1368311709 /nfs/dbraw/zinc/31/17/09/1368311709.db2.gz DJBSZMXBFCDJGD-YSTOQKLRSA-N 2 0 349.563 3.409 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001111465418 1368312082 /nfs/dbraw/zinc/31/20/82/1368312082.db2.gz UKQVQUPLQXIACA-RPCZBFAQSA-N 2 0 347.547 3.329 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467704 1368313099 /nfs/dbraw/zinc/31/30/99/1368313099.db2.gz SJZDWBYJWHBFHQ-YSTOQKLRSA-N 2 0 349.563 3.409 20 0 EGADRP CN(CCC[N@H+](C)CCc1cc(Cl)cc(Cl)c1)CC[NH+](C)C ZINC001194882539 1368339760 /nfs/dbraw/zinc/33/97/60/1368339760.db2.gz JJINRSYWIMPIOU-UHFFFAOYSA-N 2 0 346.346 3.351 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001111800043 1368467754 /nfs/dbraw/zinc/46/77/54/1368467754.db2.gz XDZJTGZAPNBSSN-PXNSSMCTSA-N 2 0 340.471 3.109 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864573 1368513226 /nfs/dbraw/zinc/51/32/26/1368513226.db2.gz WXTJYJPXMKHDHZ-ZJOUEHCJSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001111952573 1368572194 /nfs/dbraw/zinc/57/21/94/1368572194.db2.gz ONQBVALFTCRPDS-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197187265 1368761735 /nfs/dbraw/zinc/76/17/35/1368761735.db2.gz CIOHUOSWHACQCX-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](CC2CC(C)C2)CC1 ZINC001197477638 1368822584 /nfs/dbraw/zinc/82/25/84/1368822584.db2.gz LLKVIEZRIQBPHK-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](C[C@H](C)CC)CC1 ZINC001197478577 1368823564 /nfs/dbraw/zinc/82/35/64/1368823564.db2.gz YRTXIFVSGRIWFB-GOSISDBHSA-N 2 0 325.541 3.079 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112519500 1368911272 /nfs/dbraw/zinc/91/12/72/1368911272.db2.gz MQDICHGQPFJAES-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529598 1368916100 /nfs/dbraw/zinc/91/61/00/1368916100.db2.gz HAADWLJCXXUAPH-YJKCGTDLSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001198222228 1368983707 /nfs/dbraw/zinc/98/37/07/1368983707.db2.gz VSQWLUIKOPHYKJ-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258811 1368991777 /nfs/dbraw/zinc/99/17/77/1368991777.db2.gz GQLJWZALCRCVAJ-YJJPMGAVSA-N 2 0 349.563 3.388 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258810 1368992384 /nfs/dbraw/zinc/99/23/84/1368992384.db2.gz GQLJWZALCRCVAJ-ROUKRRSUSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[NH+](CCC3CCCCC3)CC2)CCCC1 ZINC001113156576 1369233382 /nfs/dbraw/zinc/23/33/82/1369233382.db2.gz MKZQDAQHPCXUEW-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401492 1369400119 /nfs/dbraw/zinc/40/01/19/1369400119.db2.gz DKKXXPJJWVBUKX-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)Oc1ccc(F)cc1 ZINC001200762250 1369424257 /nfs/dbraw/zinc/42/42/57/1369424257.db2.gz VPMBHMNXRLEQRT-MRXNPFEDSA-N 2 0 346.446 3.323 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052603 1369472636 /nfs/dbraw/zinc/47/26/36/1369472636.db2.gz GQIGRSQMSOQCDA-LPHOPBHVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC001113528870 1369478435 /nfs/dbraw/zinc/47/84/35/1369478435.db2.gz UHGJEICGXVITRY-UHFFFAOYSA-N 2 0 339.568 3.469 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201240530 1369502949 /nfs/dbraw/zinc/50/29/49/1369502949.db2.gz VNHRLWZILMQOQW-PLNGDYQASA-N 2 0 347.547 3.189 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201399953 1369536620 /nfs/dbraw/zinc/53/66/20/1369536620.db2.gz LPBFWEVVUFPLGO-VOFKWLDRSA-N 2 0 335.536 3.044 20 0 EGADRP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001201408219 1369539146 /nfs/dbraw/zinc/53/91/46/1369539146.db2.gz CDAIUYYNCSRNCX-ZWKOTPCHSA-N 2 0 334.504 3.082 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201462788 1369549898 /nfs/dbraw/zinc/54/98/98/1369549898.db2.gz YUXJOSQTZUILBK-MRXNPFEDSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201611185 1369590360 /nfs/dbraw/zinc/59/03/60/1369590360.db2.gz WUDULNMNLGHJJS-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP COc1ccc2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)cnc2c1 ZINC001201656734 1369597906 /nfs/dbraw/zinc/59/79/06/1369597906.db2.gz XJRSBYOUIALXFB-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP Cc1ccnc(C(C)C)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201658518 1369598188 /nfs/dbraw/zinc/59/81/88/1369598188.db2.gz CWRQAQUQFYPXMP-UHFFFAOYSA-N 2 0 325.460 3.404 20 0 EGADRP CSCCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001201689140 1369606619 /nfs/dbraw/zinc/60/66/19/1369606619.db2.gz VGGFAHCIZIUSEG-UHFFFAOYSA-N 2 0 348.556 3.415 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201819000 1369629334 /nfs/dbraw/zinc/62/93/34/1369629334.db2.gz ZEZNCNYGRMYZCG-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001202144874 1369700637 /nfs/dbraw/zinc/70/06/37/1369700637.db2.gz MKCGPYJJMBHEER-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001202238329 1369720761 /nfs/dbraw/zinc/72/07/61/1369720761.db2.gz CBSXMDAKGIYABR-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001202238644 1369721070 /nfs/dbraw/zinc/72/10/70/1369721070.db2.gz KULPSZHWXJWUPW-GOSISDBHSA-N 2 0 345.531 3.287 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001202708485 1369859814 /nfs/dbraw/zinc/85/98/14/1369859814.db2.gz WMUCEWWNMDWHEG-UHFFFAOYSA-N 2 0 334.508 3.023 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001202763831 1369883018 /nfs/dbraw/zinc/88/30/18/1369883018.db2.gz IDUIWMPAPCOARP-GOSISDBHSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001186980692 1388034923 /nfs/dbraw/zinc/03/49/23/1388034923.db2.gz CMTSWIFSAYVUSH-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930257 1369929196 /nfs/dbraw/zinc/92/91/96/1369929196.db2.gz SLCZMSFRVJOQTN-SJORKVTESA-N 2 0 335.536 3.068 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202992238 1369948650 /nfs/dbraw/zinc/94/86/50/1369948650.db2.gz YXJMPEZPYLTCQT-JBVUFVISSA-N 2 0 337.552 3.290 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2)C1CCC1 ZINC001203044559 1369965362 /nfs/dbraw/zinc/96/53/62/1369965362.db2.gz MHCXGGAFSXZOJO-OALUTQOASA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203104711 1369984905 /nfs/dbraw/zinc/98/49/05/1369984905.db2.gz TXMMQGLZHVSPOA-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115974 1369988271 /nfs/dbraw/zinc/98/82/71/1369988271.db2.gz WJMJONTURGQOAY-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203169096 1370007698 /nfs/dbraw/zinc/00/76/98/1370007698.db2.gz PEKMQERKGMKZTA-ROUUACIJSA-N 2 0 340.471 3.155 20 0 EGADRP C[N@H+](Cc1cccc(F)c1)C1CCN(Cc2ccc(CO)cc2)CC1 ZINC001203193112 1370019080 /nfs/dbraw/zinc/01/90/80/1370019080.db2.gz ILYRYYHKGAYARK-UHFFFAOYSA-N 2 0 342.458 3.414 20 0 EGADRP CC(C)[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230665 1370032850 /nfs/dbraw/zinc/03/28/50/1370032850.db2.gz PHRAKTNTTVBLNW-QZTJIDSGSA-N 2 0 335.536 3.066 20 0 EGADRP CCc1nc(C)c(CN(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001203246338 1370037936 /nfs/dbraw/zinc/03/79/36/1370037936.db2.gz FONMYPDKWOMDPW-SFHVURJKSA-N 2 0 326.488 3.377 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187034269 1388043414 /nfs/dbraw/zinc/04/34/14/1388043414.db2.gz BVWBFTCCDFKYMV-GOSISDBHSA-N 2 0 325.541 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001203283229 1370061918 /nfs/dbraw/zinc/06/19/18/1370061918.db2.gz PZTCUPQUEHFRHT-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH2+]C/C=C\Cl)CC1)c1ccccc1 ZINC001203312221 1370077684 /nfs/dbraw/zinc/07/76/84/1370077684.db2.gz BJLCYFSQCCNFAD-IKPBFSQCSA-N 2 0 349.906 3.013 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1)c1ccccc1 ZINC001203313517 1370078642 /nfs/dbraw/zinc/07/86/42/1370078642.db2.gz SCZDKYFXOZADCN-VQIMIIECSA-N 2 0 349.494 3.008 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203324156 1370082824 /nfs/dbraw/zinc/08/28/24/1370082824.db2.gz FRFCLWAROBNMGY-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828832 1370101767 /nfs/dbraw/zinc/10/17/67/1370101767.db2.gz LAPIQOYFNIPEQX-WCIQWLHISA-N 2 0 347.547 3.044 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C23CCC3)CC1 ZINC001203540310 1370162163 /nfs/dbraw/zinc/16/21/63/1370162163.db2.gz VGSLEFGZIOZHJC-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203631300 1370193944 /nfs/dbraw/zinc/19/39/44/1370193944.db2.gz LUSHTOAURCXTSJ-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001114988920 1370194237 /nfs/dbraw/zinc/19/42/37/1370194237.db2.gz NCCDZRDCNREISL-BEEHTQLISA-N 2 0 349.563 3.146 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc(F)cc3[nH]ccc32)CC1 ZINC001203730296 1370238461 /nfs/dbraw/zinc/23/84/61/1370238461.db2.gz HAIGXCXOTZDMRO-UHFFFAOYSA-N 2 0 325.391 3.197 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770670 1370258123 /nfs/dbraw/zinc/25/81/23/1370258123.db2.gz HVMGVSZYCOCORG-IFEVLTCRSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203771098 1370258719 /nfs/dbraw/zinc/25/87/19/1370258719.db2.gz LTYRADDIHIPMKR-MSOLQXFVSA-N 2 0 335.536 3.070 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203794215 1370268005 /nfs/dbraw/zinc/26/80/05/1370268005.db2.gz VSHCURZVMQQLJS-JKCVZHOFSA-N 2 0 335.536 3.090 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203826176 1370281599 /nfs/dbraw/zinc/28/15/99/1370281599.db2.gz XEHSJDOTPMXJHT-ROUUACIJSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203903815 1370307801 /nfs/dbraw/zinc/30/78/01/1370307801.db2.gz OIUJVJVBDKIGEE-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904304 1370308906 /nfs/dbraw/zinc/30/89/06/1370308906.db2.gz RCDJEIJTLRQGIB-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CCCc1ccc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001203924539 1370315877 /nfs/dbraw/zinc/31/58/77/1370315877.db2.gz BTPYXVGGASEIKF-UHFFFAOYSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001203925514 1370317357 /nfs/dbraw/zinc/31/73/57/1370317357.db2.gz QPUIMSICPHJKPG-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001203932274 1370319377 /nfs/dbraw/zinc/31/93/77/1370319377.db2.gz BBKUHDZEIJSBJN-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)s1 ZINC001204032224 1370353965 /nfs/dbraw/zinc/35/39/65/1370353965.db2.gz SNJLJBYVDDNEDT-IEBWSBKVSA-N 2 0 334.529 3.237 20 0 EGADRP CC(C)c1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001204168487 1370397380 /nfs/dbraw/zinc/39/73/80/1370397380.db2.gz QIXJYWRMLCWBRM-UHFFFAOYSA-N 2 0 329.532 3.269 20 0 EGADRP CCOCC1CC[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204269623 1370428496 /nfs/dbraw/zinc/42/84/96/1370428496.db2.gz HYPPYAWYBFTYTR-UHFFFAOYSA-N 2 0 334.504 3.266 20 0 EGADRP Cc1c(F)cccc1CN1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001204509369 1370497450 /nfs/dbraw/zinc/49/74/50/1370497450.db2.gz YYDCEEYQIMATPT-HXUWFJFHSA-N 2 0 334.479 3.457 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC001204523470 1370503227 /nfs/dbraw/zinc/50/32/27/1370503227.db2.gz IUNBVWPRTOMCJV-RMKNXTFCSA-N 2 0 327.516 3.049 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543450 1370540508 /nfs/dbraw/zinc/54/05/08/1370540508.db2.gz ISYWIDLNZYRMEI-PJHKVULZSA-N 2 0 335.536 3.092 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559736 1370559774 /nfs/dbraw/zinc/55/97/74/1370559774.db2.gz GEOJCAWQYKVWBU-DLBZAZTESA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571745 1370573832 /nfs/dbraw/zinc/57/38/32/1370573832.db2.gz MXJZYRKRKLXRMG-IBGZPJMESA-N 2 0 349.563 3.339 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115572047 1370574645 /nfs/dbraw/zinc/57/46/45/1370574645.db2.gz ZXIQETASSKMVEJ-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001115591718 1370592649 /nfs/dbraw/zinc/59/26/49/1370592649.db2.gz AZTRXHHIRVZYOU-RTBURBONSA-N 2 0 347.547 3.212 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001115591727 1370592658 /nfs/dbraw/zinc/59/26/58/1370592658.db2.gz BLEWAPZCUJXMSJ-ZWKOTPCHSA-N 2 0 335.536 3.212 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1)[NH+](C)C ZINC001115592005 1370593262 /nfs/dbraw/zinc/59/32/62/1370593262.db2.gz OJSLGUHGBVPPHI-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CCOC(=O)c1ccc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)o2)cc1 ZINC001205033835 1370635121 /nfs/dbraw/zinc/63/51/21/1370635121.db2.gz VOYBNEQMVWOMDN-UHFFFAOYSA-N 2 0 342.439 3.294 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001205040768 1370636361 /nfs/dbraw/zinc/63/63/61/1370636361.db2.gz HWXWNXUZQPUIKL-UHFFFAOYSA-N 2 0 325.790 3.337 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc3cccc(Br)c3n2)CC1 ZINC001205054145 1370638453 /nfs/dbraw/zinc/63/84/53/1370638453.db2.gz XRWAABLOSLEORT-UHFFFAOYSA-N 2 0 334.261 3.168 20 0 EGADRP [NH3+][C@H]1CCC[N@H+](Cc2cnc3cc(Br)ccc3c2)CC1 ZINC001205131413 1370659425 /nfs/dbraw/zinc/65/94/25/1370659425.db2.gz YCQLILPWDCCLGS-HNNXBMFYSA-N 2 0 334.261 3.311 20 0 EGADRP c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001205170940 1370669272 /nfs/dbraw/zinc/66/92/72/1370669272.db2.gz HADVWAJJJBZELH-FQEVSTJZSA-N 2 0 336.483 3.218 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)CC1 ZINC001115696198 1370677537 /nfs/dbraw/zinc/67/75/37/1370677537.db2.gz KOXYSINEQWVYTH-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)c2occc2C[NH+](C)C)CCCCC1 ZINC001115696474 1370678237 /nfs/dbraw/zinc/67/82/37/1370678237.db2.gz YOFLVTPQHBSNFR-UHFFFAOYSA-N 2 0 335.492 3.020 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)CC1 ZINC001115708117 1370687563 /nfs/dbraw/zinc/68/75/63/1370687563.db2.gz OWJMEZMEYGNSOF-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@@H+]1CCc2cc(-c3ccc(OCCC[NH+](C)C)nc3)ccc2C1 ZINC001205226041 1370688175 /nfs/dbraw/zinc/68/81/75/1370688175.db2.gz WHTDFZYRAGZDME-UHFFFAOYSA-N 2 0 339.483 3.457 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1)[NH+](C)C ZINC001115715362 1370694445 /nfs/dbraw/zinc/69/44/45/1370694445.db2.gz GHSICVWRGIASHC-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285288 1370706337 /nfs/dbraw/zinc/70/63/37/1370706337.db2.gz VORNEXMAGJEGQV-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001115729532 1370711224 /nfs/dbraw/zinc/71/12/24/1370711224.db2.gz JTTKPOYNACRPGR-GOSISDBHSA-N 2 0 347.547 3.237 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)c2c1 ZINC001205318295 1370720035 /nfs/dbraw/zinc/72/00/35/1370720035.db2.gz TYRNULWBRADDEG-ZBFHGGJFSA-N 2 0 328.456 3.274 20 0 EGADRP c1ccc([C@@H]2CC[N@@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)cc1 ZINC001205339409 1370725846 /nfs/dbraw/zinc/72/58/46/1370725846.db2.gz INKJBFIWECLAND-JOCHJYFZSA-N 2 0 335.495 3.081 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001187306748 1388092055 /nfs/dbraw/zinc/09/20/55/1388092055.db2.gz NXRYAFIHUSSNQP-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205460933 1370762354 /nfs/dbraw/zinc/76/23/54/1370762354.db2.gz ATXUFHLBZDUEPD-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1)C1CCC1 ZINC001205469461 1370764822 /nfs/dbraw/zinc/76/48/22/1370764822.db2.gz GKCXAVVEKZZNAM-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205549627 1370788120 /nfs/dbraw/zinc/78/81/20/1370788120.db2.gz XSDMSNNJPIAXQO-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP c1cc(-c2ccc(N3CC[NH2+]CC3)cc2)cc2c1C1(CC2)CC[NH2+]CC1 ZINC001205558340 1370790969 /nfs/dbraw/zinc/79/09/69/1370790969.db2.gz RJGYYKPOJPMQIT-UHFFFAOYSA-N 2 0 347.506 3.331 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205558280 1370791369 /nfs/dbraw/zinc/79/13/69/1370791369.db2.gz DGUNNJDYEFKFHO-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001205562547 1370792200 /nfs/dbraw/zinc/79/22/00/1370792200.db2.gz WVTPQJGFPQGMRW-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)n21 ZINC001205591771 1370803704 /nfs/dbraw/zinc/80/37/04/1370803704.db2.gz PCBJBWHKNUXOPJ-QGZVFWFLSA-N 2 0 336.480 3.099 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2F)CC[C@@H]1C[NH3+] ZINC001205601011 1370806460 /nfs/dbraw/zinc/80/64/60/1370806460.db2.gz CUAKVJZAKXOUEW-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](CCc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC001205603547 1370807916 /nfs/dbraw/zinc/80/79/16/1370807916.db2.gz QAYUEHFXLQLELU-UKRRQHHQSA-N 2 0 325.294 3.298 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205624672 1370816381 /nfs/dbraw/zinc/81/63/81/1370816381.db2.gz HIKZWSIJCBNNMA-UHFFFAOYSA-N 2 0 342.487 3.212 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205629455 1370817249 /nfs/dbraw/zinc/81/72/49/1370817249.db2.gz YXUMXPSYMRRLFV-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205902117 1370904856 /nfs/dbraw/zinc/90/48/56/1370904856.db2.gz IDACFCJHSPMMJF-VQIMIIECSA-N 2 0 326.488 3.107 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001116501428 1370925326 /nfs/dbraw/zinc/92/53/26/1370925326.db2.gz BSSCBGKSQXSFCM-UHFFFAOYSA-N 2 0 330.476 3.083 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205983809 1370928836 /nfs/dbraw/zinc/92/88/36/1370928836.db2.gz PIOTUPKZFYUNBE-GIVPXCGWSA-N 2 0 329.532 3.348 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OC3CCOCC3)cc2)CCC[C@H]1C[NH3+] ZINC001206003433 1370935378 /nfs/dbraw/zinc/93/53/78/1370935378.db2.gz HTTLIOLWUJCTQF-WMZOPIPTSA-N 2 0 332.488 3.051 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC)cc1Cl ZINC001206013551 1370937901 /nfs/dbraw/zinc/93/79/01/1370937901.db2.gz SBPNWOGFEUZNSX-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206012092 1370938014 /nfs/dbraw/zinc/93/80/14/1370938014.db2.gz ITRDKSSIVLYWQN-ZIAGYGMSSA-N 2 0 325.884 3.329 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)nc2)CCC[C@H]1C[NH3+] ZINC001206011370 1370938138 /nfs/dbraw/zinc/93/81/38/1370938138.db2.gz BXIOYJWQOZTMJI-XLIONFOSSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012823 1370938312 /nfs/dbraw/zinc/93/83/12/1370938312.db2.gz ODGLXNSLSJKGAX-HUUCEWRRSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@H]1C[N@H+](Cc2c(Br)ccc(O)c2F)CCC[C@H]1C[NH3+] ZINC001206025679 1370941782 /nfs/dbraw/zinc/94/17/82/1370941782.db2.gz OXYJJAMLSPKWRO-QWRGUYRKSA-N 2 0 345.256 3.101 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001206031503 1370944247 /nfs/dbraw/zinc/94/42/47/1370944247.db2.gz SVUNPIKHDFFINM-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)ccc2c[nH+]cn21 ZINC001116673795 1370954942 /nfs/dbraw/zinc/95/49/42/1370954942.db2.gz ZSMHBAWTRBDLRS-UHFFFAOYSA-N 2 0 342.487 3.417 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cncc(Br)c2)CC1 ZINC001206119331 1370964315 /nfs/dbraw/zinc/96/43/15/1370964315.db2.gz JVLRJTCLTWBCEX-UHFFFAOYSA-N 2 0 340.309 3.396 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc2c1NC(C)(C)C=C2 ZINC001206211659 1370994209 /nfs/dbraw/zinc/99/42/09/1370994209.db2.gz OLAWQLMSNIGDKR-HZPDHXFCSA-N 2 0 333.451 3.174 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1)[NH+](CC)CC ZINC001206245098 1371002324 /nfs/dbraw/zinc/00/23/24/1371002324.db2.gz BXAYSDSTLVTCOS-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3cccc(C[NH3+])c3)CC2)c2ccccc2[nH+]1 ZINC001206285912 1371013490 /nfs/dbraw/zinc/01/34/90/1371013490.db2.gz PIUBZLWGPDKWSU-UHFFFAOYSA-N 3 0 346.478 3.324 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](CCc2cccc(Br)c2)CC1 ZINC001206296007 1371014018 /nfs/dbraw/zinc/01/40/18/1371014018.db2.gz OLIXHIDZBVJRTC-INIZCTEOSA-N 2 0 325.294 3.443 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1)[NH+](C)C ZINC001206300453 1371015076 /nfs/dbraw/zinc/01/50/76/1371015076.db2.gz FFMXOEWFUAYETA-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP COCCCOc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206589959 1371102371 /nfs/dbraw/zinc/10/23/71/1371102371.db2.gz JMCJUIJHELLPLZ-IBGZPJMESA-N 2 0 334.504 3.454 20 0 EGADRP COC(=O)/C=C/c1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206597368 1371104461 /nfs/dbraw/zinc/10/44/61/1371104461.db2.gz BGVJMQODUAXDAS-GNISGLHKSA-N 2 0 330.472 3.225 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)CC1 ZINC001206683808 1371132722 /nfs/dbraw/zinc/13/27/22/1371132722.db2.gz NZGZOOPWZIOXTO-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ccccc1-c1noc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001118198367 1371145136 /nfs/dbraw/zinc/14/51/36/1371145136.db2.gz LVRMZQQXKPUNQP-UHFFFAOYSA-N 2 0 326.444 3.011 20 0 EGADRP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001206768739 1371158901 /nfs/dbraw/zinc/15/89/01/1371158901.db2.gz LWJXNMQNOJQNMQ-NWDGAFQWSA-N 2 0 336.277 3.490 20 0 EGADRP Cc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)n1C ZINC001206791828 1371167910 /nfs/dbraw/zinc/16/79/10/1371167910.db2.gz BKPLLYGDMVJSOD-UHFFFAOYSA-N 2 0 344.528 3.278 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206808835 1371175397 /nfs/dbraw/zinc/17/53/97/1371175397.db2.gz KRGTXLKTQCWIOK-CABCVRRESA-N 2 0 328.456 3.416 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1OC(F)(F)F ZINC001206810815 1371177119 /nfs/dbraw/zinc/17/71/19/1371177119.db2.gz PSTWDNDPGAHGIK-WCQYABFASA-N 2 0 332.366 3.153 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001206858177 1371191851 /nfs/dbraw/zinc/19/18/51/1371191851.db2.gz WHBTZZIAEMUZPE-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001206882851 1371205484 /nfs/dbraw/zinc/20/54/84/1371205484.db2.gz FSZVTGBMZKACDC-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206949039 1371240954 /nfs/dbraw/zinc/24/09/54/1371240954.db2.gz NCMDAADKVVMDBH-UHFFFAOYSA-N 2 0 343.515 3.156 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974631 1371254513 /nfs/dbraw/zinc/25/45/13/1371254513.db2.gz KSXWNUWFHLOZOA-IKSUFZCESA-N 2 0 335.536 3.044 20 0 EGADRP O=c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC001207070711 1371285287 /nfs/dbraw/zinc/28/52/87/1371285287.db2.gz DEDXMMOXPRQJDU-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc[nH]c(=O)c1)CC2 ZINC001207119507 1371299461 /nfs/dbraw/zinc/29/94/61/1371299461.db2.gz DNHHARZKXCXFKI-SFHVURJKSA-N 2 0 341.455 3.257 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207187293 1371324452 /nfs/dbraw/zinc/32/44/52/1371324452.db2.gz PJDOYKYOOSCIDJ-BTHPGYMESA-N 2 0 347.934 3.154 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207187294 1371324594 /nfs/dbraw/zinc/32/45/94/1371324594.db2.gz PJDOYKYOOSCIDJ-FRYIKTPZSA-N 2 0 347.934 3.154 20 0 EGADRP C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207274757 1371347457 /nfs/dbraw/zinc/34/74/57/1371347457.db2.gz GCZDDAXLVJFMJD-HOTGVXAUSA-N 2 0 341.540 3.199 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207282023 1371349649 /nfs/dbraw/zinc/34/96/49/1371349649.db2.gz CLKRAKKRENBVIZ-UHFFFAOYSA-N 2 0 328.504 3.341 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207282006 1371349950 /nfs/dbraw/zinc/34/99/50/1371349950.db2.gz BUOIYFAUMQREMV-MRXNPFEDSA-N 2 0 341.540 3.153 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283596 1371350279 /nfs/dbraw/zinc/35/02/79/1371350279.db2.gz AUVKKVPGPFVXJV-RTWAWAEBSA-N 3 0 343.559 3.418 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001207291898 1371352336 /nfs/dbraw/zinc/35/23/36/1371352336.db2.gz FUZLHWKROLLNRI-UHFFFAOYSA-N 3 0 341.543 3.316 20 0 EGADRP O=C1CCC[C@H]2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]12 ZINC001207293938 1371354606 /nfs/dbraw/zinc/35/46/06/1371354606.db2.gz CXZZRLSSVOPQEB-VQTJNVASSA-N 2 0 326.484 3.200 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207317744 1371359206 /nfs/dbraw/zinc/35/92/06/1371359206.db2.gz HCRGXRFCOYDMBU-MRXNPFEDSA-N 2 0 327.513 3.050 20 0 EGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCc3ccc(Br)cc3)C2)C1 ZINC001207323431 1371361002 /nfs/dbraw/zinc/36/10/02/1371361002.db2.gz SMDJXSILNQWYOO-QGZVFWFLSA-N 2 0 337.305 3.409 20 0 EGADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCc3ccc(Br)cc3)C2)C1 ZINC001207323429 1371361387 /nfs/dbraw/zinc/36/13/87/1371361387.db2.gz SMDJXSILNQWYOO-KRWDZBQOSA-N 2 0 337.305 3.409 20 0 EGADRP CC1(C)C[C@H](C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001207357601 1371372804 /nfs/dbraw/zinc/37/28/04/1371372804.db2.gz ASCPKSFSDQCXHE-VAMGGRTRSA-N 2 0 328.500 3.255 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC001207399039 1371383831 /nfs/dbraw/zinc/38/38/31/1371383831.db2.gz WLXZVXDRHHNPCR-UHFFFAOYSA-N 2 0 342.314 3.457 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(c3cccc4sccc43)CC2)CC1 ZINC001207399371 1371383844 /nfs/dbraw/zinc/38/38/44/1371383844.db2.gz KZETYFMOQPMQGT-UHFFFAOYSA-N 2 0 329.513 3.365 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001207399859 1371384715 /nfs/dbraw/zinc/38/47/15/1371384715.db2.gz XCPPLYSHYGMPCP-NRFANRHFSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207465728 1371403104 /nfs/dbraw/zinc/40/31/04/1371403104.db2.gz ZHVVFRDXRTWZAU-GOSISDBHSA-N 2 0 347.503 3.148 20 0 EGADRP COc1ccc(CC[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001207472678 1371405792 /nfs/dbraw/zinc/40/57/92/1371405792.db2.gz UUSJGTIGQDMQIY-UHFFFAOYSA-N 2 0 346.515 3.062 20 0 EGADRP CCOC(=O)CN(CCC1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC001207487764 1371410559 /nfs/dbraw/zinc/41/05/59/1371410559.db2.gz QWILGGFYULIJEI-QGZVFWFLSA-N 2 0 332.488 3.345 20 0 EGADRP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207485662 1371410669 /nfs/dbraw/zinc/41/06/69/1371410669.db2.gz ZVYBTFSDGAUJSE-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)C[C@H]2C1 ZINC001119990947 1371445021 /nfs/dbraw/zinc/44/50/21/1371445021.db2.gz ZZNUZMJLCRXHHL-JFIYKMOQSA-N 2 0 325.456 3.103 20 0 EGADRP C[NH+](C)CCCN(CCCc1ccc(Cl)cc1)CCC[NH+](C)C ZINC001207595764 1371446383 /nfs/dbraw/zinc/44/63/83/1371446383.db2.gz GUIBEHLSBOQICU-UHFFFAOYSA-N 2 0 339.955 3.478 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120033171 1371463600 /nfs/dbraw/zinc/46/36/00/1371463600.db2.gz WFFJMOOLOWFOSN-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC1 ZINC001207683679 1371474060 /nfs/dbraw/zinc/47/40/60/1371474060.db2.gz TXXPGXOOMQEIRR-QGZVFWFLSA-N 2 0 333.520 3.479 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001120207749 1371504608 /nfs/dbraw/zinc/50/46/08/1371504608.db2.gz DGLWMUZZZPYWSM-OQRGYWNNSA-N 2 0 341.927 3.022 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207923459 1371539815 /nfs/dbraw/zinc/53/98/15/1371539815.db2.gz QTPMLIFRVVSBOQ-ZWKOTPCHSA-N 2 0 348.487 3.108 20 0 EGADRP CC(C)c1ccc(C[C@@H](C)C[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC001207930805 1371541213 /nfs/dbraw/zinc/54/12/13/1371541213.db2.gz AXQISDMXXGEMJI-LJQANCHMSA-N 2 0 331.548 3.168 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001120414096 1371566087 /nfs/dbraw/zinc/56/60/87/1371566087.db2.gz SGZAQTBHCZZNFY-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208015056 1371569008 /nfs/dbraw/zinc/56/90/08/1371569008.db2.gz XBARVMGCEFTKAP-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CCC(C)C)C1 ZINC001120439852 1371577558 /nfs/dbraw/zinc/57/75/58/1371577558.db2.gz JFOIDYMXWWPQBK-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459995 1371584667 /nfs/dbraw/zinc/58/46/67/1371584667.db2.gz OMUKOEDPZPBNBZ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CCc1cccc(C(F)(F)F)n1)CC1(C)CC[NH+](C)CC1 ZINC001208106225 1371597228 /nfs/dbraw/zinc/59/72/28/1371597228.db2.gz CWYMCQIOLQLRKA-UHFFFAOYSA-N 2 0 329.410 3.307 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CC4(C)CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001208110888 1371597568 /nfs/dbraw/zinc/59/75/68/1371597568.db2.gz XBINHCJVMSTZFA-NHCUHLMSSA-N 2 0 341.543 3.091 20 0 EGADRP C[N@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208112833 1371598542 /nfs/dbraw/zinc/59/85/42/1371598542.db2.gz ZNCWMVRCMVCFOW-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP CS[C@H](C)CC[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001208145341 1371609137 /nfs/dbraw/zinc/60/91/37/1371609137.db2.gz UWEBQKZPTKBRNT-QLFBSQMISA-N 2 0 325.547 3.181 20 0 EGADRP C[NH+](C)CC1(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCCC1 ZINC001208185735 1371627407 /nfs/dbraw/zinc/62/74/07/1371627407.db2.gz PDUKDTXXFHKGAO-UHFFFAOYSA-N 2 0 333.564 3.449 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208236653 1371673824 /nfs/dbraw/zinc/67/38/24/1371673824.db2.gz YYQDRLCRKHERFQ-KRWDZBQOSA-N 2 0 341.540 3.297 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258167 1371685550 /nfs/dbraw/zinc/68/55/50/1371685550.db2.gz BVUCXJHTVYUGSU-GDBMZVCRSA-N 2 0 337.533 3.050 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208261912 1371688580 /nfs/dbraw/zinc/68/85/80/1371688580.db2.gz UYQUBMDTERROCZ-FUTAKVPZSA-N 2 0 349.544 3.360 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330887 1371720293 /nfs/dbraw/zinc/72/02/93/1371720293.db2.gz HLCVGLGHDZIGPU-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498464 1371788327 /nfs/dbraw/zinc/78/83/27/1371788327.db2.gz QRTPHXHXKBTXOP-SJLPKXTDSA-N 2 0 342.487 3.211 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(n3cnc4ccccc43)CC2)CC1 ZINC001208604062 1371837437 /nfs/dbraw/zinc/83/74/37/1371837437.db2.gz KNYRPFNIJCANEH-UHFFFAOYSA-N 2 0 326.488 3.405 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619082 1371844648 /nfs/dbraw/zinc/84/46/48/1371844648.db2.gz VDIBZKDGPQZATG-FGZHOGPDSA-N 2 0 341.543 3.316 20 0 EGADRP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CC[C@H](C)CC(C)(C)C)CC2 ZINC001208654551 1371853187 /nfs/dbraw/zinc/85/31/87/1371853187.db2.gz LUTGQNXNJOWHKU-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103520 1371854811 /nfs/dbraw/zinc/85/48/11/1371854811.db2.gz XCQRDXNYGUNFNT-MBEFBZSESA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001208693315 1371863730 /nfs/dbraw/zinc/86/37/30/1371863730.db2.gz IUCGMIBDNAHYSA-AABGKKOBSA-N 2 0 345.535 3.032 20 0 EGADRP COC(=O)CC[N@@H+](CCCc1ccccc1Cl)CCC[NH+](C)C ZINC001208872173 1371928043 /nfs/dbraw/zinc/92/80/43/1371928043.db2.gz WKMFXZRVTIAAEW-UHFFFAOYSA-N 2 0 340.895 3.089 20 0 EGADRP CCC(=O)C(C)(C)C[NH+]1C[C@@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001208914947 1371941872 /nfs/dbraw/zinc/94/18/72/1371941872.db2.gz BYWUTEUPRAFQDE-OALUTQOASA-N 2 0 328.500 3.364 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001208918808 1371944274 /nfs/dbraw/zinc/94/42/74/1371944274.db2.gz KTCJSMOTROQYRV-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209206089 1372037735 /nfs/dbraw/zinc/03/77/35/1372037735.db2.gz XDYQDSQLWQTBOH-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121663590 1372039338 /nfs/dbraw/zinc/03/93/38/1372039338.db2.gz OLSRYZWSSHSDRK-VOTSOKGWSA-N 2 0 335.536 3.092 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001209302522 1372063563 /nfs/dbraw/zinc/06/35/63/1372063563.db2.gz GMCUTLHMEOBZKN-OALUTQOASA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC2 ZINC001209359850 1372077964 /nfs/dbraw/zinc/07/79/64/1372077964.db2.gz RQIGOOISSAAPFM-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2)[NH+](C)C ZINC001121797992 1372083875 /nfs/dbraw/zinc/08/38/75/1372083875.db2.gz CRMDIMPYQDUXSK-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3CN(CCC[NH+]4CCCCC4)CC[C@@H]3C2)cc1 ZINC001209452148 1372109091 /nfs/dbraw/zinc/10/90/91/1372109091.db2.gz FNGXEFNPDIHXQV-FGZHOGPDSA-N 2 0 341.543 3.316 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cnc(Cl)s1 ZINC001209472064 1372114925 /nfs/dbraw/zinc/11/49/25/1372114925.db2.gz DROUCWZXIWPGIJ-UHFFFAOYSA-N 2 0 346.972 3.282 20 0 EGADRP c1csc(CN2CCOC3(CC[NH+](Cc4cncs4)CC3)C2)c1 ZINC001209548636 1372134161 /nfs/dbraw/zinc/13/41/61/1372134161.db2.gz ZWAAHUHMQHCCDM-UHFFFAOYSA-N 2 0 349.525 3.072 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)C(C)C ZINC001209586237 1372143871 /nfs/dbraw/zinc/14/38/71/1372143871.db2.gz ZBZOKOURZGVCJM-RLLQIKCJSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+](CC)CC ZINC001209613613 1372150632 /nfs/dbraw/zinc/15/06/32/1372150632.db2.gz KFRMFMRVDGKOHK-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1)[NH+](CC)CC ZINC001209615985 1372152700 /nfs/dbraw/zinc/15/27/00/1372152700.db2.gz XXNZHYATLHHHGG-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651180 1372161896 /nfs/dbraw/zinc/16/18/96/1372161896.db2.gz NRNOCCHIIGVLAA-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001209689691 1372170101 /nfs/dbraw/zinc/17/01/01/1372170101.db2.gz MTQQQNQIRHZEGG-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001209689692 1372170913 /nfs/dbraw/zinc/17/09/13/1372170913.db2.gz MTQQQNQIRHZEGG-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001122101378 1372174299 /nfs/dbraw/zinc/17/42/99/1372174299.db2.gz MGBHBHKUHCLUHL-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001122137402 1372184732 /nfs/dbraw/zinc/18/47/32/1372184732.db2.gz PEHHBTUDWIIAOU-SFHVURJKSA-N 2 0 335.451 3.141 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242951 1372210399 /nfs/dbraw/zinc/21/03/99/1372210399.db2.gz RLQGDZFVXDGZEN-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)c1 ZINC001122344817 1372232578 /nfs/dbraw/zinc/23/25/78/1372232578.db2.gz MOWFZNHZZDIYHA-QGZVFWFLSA-N 2 0 335.492 3.109 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001210181060 1372289725 /nfs/dbraw/zinc/28/97/25/1372289725.db2.gz AYOUGIQJRPFJMJ-ROUUACIJSA-N 2 0 325.541 3.125 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)C(C)C ZINC001210189305 1372291196 /nfs/dbraw/zinc/29/11/96/1372291196.db2.gz AQHKKJOOXBFKQM-UXHICEINSA-N 2 0 345.531 3.134 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190978 1372292063 /nfs/dbraw/zinc/29/20/63/1372292063.db2.gz ZAPWMEFZSNRGDD-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP Oc1c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccc(Cl)c1Cl ZINC001210267708 1372310955 /nfs/dbraw/zinc/31/09/55/1372310955.db2.gz LKPOOGCREOKGLS-UHFFFAOYSA-N 2 0 339.226 3.247 20 0 EGADRP CC(C)COc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1F ZINC001210271646 1372312176 /nfs/dbraw/zinc/31/21/76/1372312176.db2.gz YKFBOIZSGJERNA-UHFFFAOYSA-N 2 0 344.434 3.409 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001210497332 1372367373 /nfs/dbraw/zinc/36/73/73/1372367373.db2.gz DEZKQFGOMOQTOZ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001210642032 1372397993 /nfs/dbraw/zinc/39/79/93/1372397993.db2.gz ADIAVHZTOYLKHB-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001210744599 1372417658 /nfs/dbraw/zinc/41/76/58/1372417658.db2.gz SCTORMIGIIRTOQ-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240616 1372509535 /nfs/dbraw/zinc/50/95/35/1372509535.db2.gz NWQMJMILPGDAMM-PHWHVTFISA-N 2 0 335.536 3.189 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240615 1372509554 /nfs/dbraw/zinc/50/95/54/1372509554.db2.gz NWQMJMILPGDAMM-HMECNJMJSA-N 2 0 335.536 3.189 20 0 EGADRP Cn1c[nH+]cc1Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001211249638 1372511765 /nfs/dbraw/zinc/51/17/65/1372511765.db2.gz XUCQKQIBDIEYCU-UHFFFAOYSA-N 2 0 347.466 3.486 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262295 1372515179 /nfs/dbraw/zinc/51/51/79/1372515179.db2.gz NKNAFMMEXWEWHD-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001211262754 1372515394 /nfs/dbraw/zinc/51/53/94/1372515394.db2.gz YRZKQWCTJVPQLB-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP COc1ccc2c(cccc2-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c1 ZINC001212339158 1372690032 /nfs/dbraw/zinc/69/00/32/1372690032.db2.gz VEPDZPREZOJPBO-IBGZPJMESA-N 2 0 340.427 3.201 20 0 EGADRP C[NH+](C)CCOc1cccc(Nc2c[nH+]ccc2N2CCCC2)c1 ZINC001212806347 1372777073 /nfs/dbraw/zinc/77/70/73/1372777073.db2.gz YPSOBNTVFAVAHR-UHFFFAOYSA-N 2 0 326.444 3.366 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001326507771 1388223463 /nfs/dbraw/zinc/22/34/63/1388223463.db2.gz JTQAPWIYMUHVEM-NCXUSEDFSA-N 2 0 337.552 3.027 20 0 EGADRP c1ccc(Oc2c[nH+]ccc2Nc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001212989231 1372813474 /nfs/dbraw/zinc/81/34/74/1372813474.db2.gz FAFOPDUISRKSAY-UHFFFAOYSA-N 2 0 348.406 3.271 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890269 1373136800 /nfs/dbraw/zinc/13/68/00/1373136800.db2.gz UVRZGWVDJIYTCT-YSNLUETFSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CCn1cc(Nc2cccc(C[NH+]3CCCCC3)c2F)cn1 ZINC001215675533 1373229783 /nfs/dbraw/zinc/22/97/83/1373229783.db2.gz AYQVBQLSHMPKGJ-UHFFFAOYSA-N 2 0 345.466 3.313 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001216174265 1373274914 /nfs/dbraw/zinc/27/49/14/1373274914.db2.gz OOOMIEBDFSCVOP-PORCLINASA-N 2 0 349.563 3.290 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129416490 1373381697 /nfs/dbraw/zinc/38/16/97/1373381697.db2.gz IGPAOXJIXNLBSP-QZTJIDSGSA-N 2 0 331.504 3.025 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001129422108 1373382567 /nfs/dbraw/zinc/38/25/67/1373382567.db2.gz FROBOQWPYHUXCX-MJGOQNOKSA-N 2 0 331.504 3.025 20 0 EGADRP O=C(NCC[NH2+]CC1CCCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429693 1373383307 /nfs/dbraw/zinc/38/33/07/1373383307.db2.gz JZJMNDXKSGBJLW-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP c1cnc2c(O[C@@H]3C[C@H]4C[C@@H]3C[NH2+]4)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218111293 1373562650 /nfs/dbraw/zinc/56/26/50/1373562650.db2.gz QSGWYSISIUNQFH-MBOZVWFJSA-N 2 0 337.467 3.350 20 0 EGADRP C[NH+](C)CC[C@@H](Oc1ccccc1N1CC[NH2+]CC1)c1ccccc1 ZINC001218304798 1373591457 /nfs/dbraw/zinc/59/14/57/1373591457.db2.gz LKOVKXFPSQXQPR-HXUWFJFHSA-N 2 0 339.483 3.168 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001218742553 1373650100 /nfs/dbraw/zinc/65/01/00/1373650100.db2.gz ICOQPWPVXURWHX-HNNXBMFYSA-N 2 0 346.862 3.187 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)c1ccccc1C1CC[NH2+]CC1 ZINC001218937948 1373668141 /nfs/dbraw/zinc/66/81/41/1373668141.db2.gz AUPFMPDVHUMQFY-UHFFFAOYSA-N 2 0 349.478 3.094 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@H]3C[C@H](c4ccccc4)CC[NH2+]3)cc2)CCC1 ZINC001218973325 1373672969 /nfs/dbraw/zinc/67/29/69/1373672969.db2.gz YBSIHDUOHQLGAQ-YLJYHZDGSA-N 2 0 349.478 3.499 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001218997932 1373676364 /nfs/dbraw/zinc/67/63/64/1373676364.db2.gz LOLGZEZGYKXYSD-GOSISDBHSA-N 2 0 341.499 3.262 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)cc1 ZINC001219347071 1373702625 /nfs/dbraw/zinc/70/26/25/1373702625.db2.gz FRARLJCGZLQUJU-OAHLLOKOSA-N 2 0 338.238 3.481 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)C[C@H]([NH3+])Cc2cccc3ccccc32)cc1 ZINC001219345396 1373702781 /nfs/dbraw/zinc/70/27/81/1373702781.db2.gz MFIGXMZEXWIPKN-GOSISDBHSA-N 2 0 333.435 3.197 20 0 EGADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001219818682 1373733219 /nfs/dbraw/zinc/73/32/19/1373733219.db2.gz JJYUVAWVZGBDLK-BQJUDKOJSA-N 2 0 349.478 3.089 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001221544523 1373779014 /nfs/dbraw/zinc/77/90/14/1373779014.db2.gz XZKCIOYLOXDQMY-GUDVDZBRSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001131799846 1373811610 /nfs/dbraw/zinc/81/16/10/1373811610.db2.gz XTVMZJRUPZQYEE-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001188294518 1388284822 /nfs/dbraw/zinc/28/48/22/1388284822.db2.gz TYXXCGLUTVGVPK-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CCc3c[nH]cn3)CCC2)C1 ZINC001326835196 1388325949 /nfs/dbraw/zinc/32/59/49/1388325949.db2.gz SAHDQWWGNSBOHZ-IAGOWNOFSA-N 2 0 346.519 3.187 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001326844632 1388328172 /nfs/dbraw/zinc/32/81/72/1388328172.db2.gz FIOXSZOGLWBYOH-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001326876362 1388335892 /nfs/dbraw/zinc/33/58/92/1388335892.db2.gz XHXVIVPNPVCSHD-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP C[NH+](C)CC[C@@H](O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC001224137434 1375055652 /nfs/dbraw/zinc/05/56/52/1375055652.db2.gz WDDBQFZZQNRDIA-QHAWAJNXSA-N 2 0 346.515 3.339 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224883455 1375082346 /nfs/dbraw/zinc/08/23/46/1375082346.db2.gz AOWIIFNNAWOZLG-MJGOQNOKSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001224883491 1375082586 /nfs/dbraw/zinc/08/25/86/1375082586.db2.gz BUIGJZFIKBKEPP-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001225542119 1375122662 /nfs/dbraw/zinc/12/26/62/1375122662.db2.gz IGBZOOTZFDPQIR-HDICACEKSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001225652946 1375139087 /nfs/dbraw/zinc/13/90/87/1375139087.db2.gz OADOAMNVUUHVJI-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141961 1375166966 /nfs/dbraw/zinc/16/69/66/1375166966.db2.gz WBDCLSCUHCCUIF-ZWKOTPCHSA-N 2 0 346.519 3.067 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132140419 1375167681 /nfs/dbraw/zinc/16/76/81/1375167681.db2.gz IHZWQPOOVKJPSW-WBVHZDCISA-N 2 0 342.487 3.416 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCC2)C1 ZINC001132152787 1375173163 /nfs/dbraw/zinc/17/31/63/1375173163.db2.gz IVHBIDXGVXQKCV-WMZOPIPTSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132207692 1375210819 /nfs/dbraw/zinc/21/08/19/1375210819.db2.gz VWIPGJODHLEYQG-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211017 1375211160 /nfs/dbraw/zinc/21/11/60/1375211160.db2.gz KZACZZHGDLFKGI-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCCC(C)(C)C ZINC001132269282 1375257685 /nfs/dbraw/zinc/25/76/85/1375257685.db2.gz IFFREDJZGLAXEK-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226553877 1375280284 /nfs/dbraw/zinc/28/02/84/1375280284.db2.gz IMGXSEXUQXFHRC-KZNAEPCWSA-N 2 0 343.531 3.264 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CCC(C)(C)C ZINC001132310574 1375288587 /nfs/dbraw/zinc/28/85/87/1375288587.db2.gz LUZKUSFMACMSLU-IRXDYDNUSA-N 2 0 339.568 3.370 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001132310266 1375289067 /nfs/dbraw/zinc/28/90/67/1375289067.db2.gz JYRQRKPEKPFVCD-MJGOQNOKSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CC1CCCC1 ZINC001132311845 1375290515 /nfs/dbraw/zinc/29/05/15/1375290515.db2.gz YZXGMRXMQZKEEK-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315777 1375292719 /nfs/dbraw/zinc/29/27/19/1375292719.db2.gz VRQVNHYHWINMDN-AWTIPJNISA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001226889737 1375352560 /nfs/dbraw/zinc/35/25/60/1375352560.db2.gz BJEUDPLOSKIQKY-XUVXKRRUSA-N 2 0 343.515 3.078 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001226891193 1375353702 /nfs/dbraw/zinc/35/37/02/1375353702.db2.gz RQJFAEAZSCVDAW-KZNAEPCWSA-N 2 0 337.552 3.314 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001226891866 1375354163 /nfs/dbraw/zinc/35/41/63/1375354163.db2.gz VQAJPEZUBAGYCN-IPMKNSEASA-N 2 0 335.536 3.068 20 0 EGADRP CCc1cccc(C[NH+]2C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]2C)c1 ZINC001132409817 1375358733 /nfs/dbraw/zinc/35/87/33/1375358733.db2.gz FMGJMTUMWPKBOC-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132410941 1375359755 /nfs/dbraw/zinc/35/97/55/1375359755.db2.gz QAZBOSKRLHPFHV-FFQNAWCLSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1cccc(F)c1 ZINC001132434480 1375378268 /nfs/dbraw/zinc/37/82/68/1375378268.db2.gz XJJJJRMPMNSVGP-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCC1CCCC1 ZINC001132434640 1375380366 /nfs/dbraw/zinc/38/03/66/1375380366.db2.gz ZWYDFCOPHCUYCB-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(CC)CC)C1 ZINC001132436342 1375381028 /nfs/dbraw/zinc/38/10/28/1375381028.db2.gz KRCBLIKEGNWEOE-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001227047343 1375382159 /nfs/dbraw/zinc/38/21/59/1375382159.db2.gz DXXXJXALIYDRCA-SLYHVIMNSA-N 2 0 343.515 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132441199 1375384961 /nfs/dbraw/zinc/38/49/61/1375384961.db2.gz LZTLEHXWYJDRTJ-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(CC)cc2)C1 ZINC001132440772 1375385670 /nfs/dbraw/zinc/38/56/70/1375385670.db2.gz FPPIMIILDDWHLA-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001227091456 1375389036 /nfs/dbraw/zinc/38/90/36/1375389036.db2.gz NMJZGTUEHNKUBP-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494545 1375424503 /nfs/dbraw/zinc/42/45/03/1375424503.db2.gz UGYUMYKSDCDFPE-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001132517500 1375436031 /nfs/dbraw/zinc/43/60/31/1375436031.db2.gz DCQXYTHFFOJXOO-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001132517501 1375436253 /nfs/dbraw/zinc/43/62/53/1375436253.db2.gz DCQXYTHFFOJXOO-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132518749 1375436670 /nfs/dbraw/zinc/43/66/70/1375436670.db2.gz NSIOZAYNONHHNP-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCCC1CCC1 ZINC001132518756 1375437389 /nfs/dbraw/zinc/43/73/89/1375437389.db2.gz NTMDIMLAZMCVLZ-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227508733 1375440186 /nfs/dbraw/zinc/44/01/86/1375440186.db2.gz MNHJHLCFZUEXIA-QZTJIDSGSA-N 2 0 328.460 3.155 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132525494 1375441566 /nfs/dbraw/zinc/44/15/66/1375441566.db2.gz SMQZFBBKHZTEFE-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCCC1CCC1 ZINC001132525751 1375441893 /nfs/dbraw/zinc/44/18/93/1375441893.db2.gz VBBOMWBROLJFHI-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132526101 1375442395 /nfs/dbraw/zinc/44/23/95/1375442395.db2.gz YGPDSKQUAIZBBM-WFRZBGSESA-N 2 0 335.536 3.188 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001227727536 1375466326 /nfs/dbraw/zinc/46/63/26/1375466326.db2.gz FTVHBSLZPAPHGP-RTBURBONSA-N 2 0 337.552 3.458 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001228168619 1375523235 /nfs/dbraw/zinc/52/32/35/1375523235.db2.gz GCYXGHZAYCFVMS-UHFFFAOYSA-N 2 0 328.460 3.109 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415589 1375569407 /nfs/dbraw/zinc/56/94/07/1375569407.db2.gz PKZXSUZWWFKZCE-DPZZJQGRSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)Cc1c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ccc2ccccc21 ZINC001228440343 1375572306 /nfs/dbraw/zinc/57/23/06/1375572306.db2.gz CMKCFSJJXLWHGT-DLVCFXQMSA-N 2 0 338.451 3.084 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001228932000 1375719394 /nfs/dbraw/zinc/71/93/94/1375719394.db2.gz IVURFVKUJVBZJI-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001229058531 1375753340 /nfs/dbraw/zinc/75/33/40/1375753340.db2.gz PWQAKEJOYHZOSQ-HNAYVOBHSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001229058197 1375753368 /nfs/dbraw/zinc/75/33/68/1375753368.db2.gz FPJWHEODYHLOCM-DNVCBOLYSA-N 2 0 349.494 3.054 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C)C(C)C ZINC001229194505 1375785203 /nfs/dbraw/zinc/78/52/03/1375785203.db2.gz LMUUQQXAJMFLEZ-QRVBRYPASA-N 2 0 337.552 3.336 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)C(C)C ZINC001229194069 1375785308 /nfs/dbraw/zinc/78/53/08/1375785308.db2.gz ITRNKIGWFXKMDB-JHHJVXLJSA-N 2 0 343.943 3.122 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1F ZINC001229213855 1375788058 /nfs/dbraw/zinc/78/80/58/1375788058.db2.gz MJZDSZWKMJIEHN-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463161 1375840693 /nfs/dbraw/zinc/84/06/93/1375840693.db2.gz ZNMXMLNWGRGGLS-UEKDZROGSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001229524960 1375851881 /nfs/dbraw/zinc/85/18/81/1375851881.db2.gz UNUHGNMJVCWBDR-RTBURBONSA-N 2 0 335.536 3.236 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655935 1375872368 /nfs/dbraw/zinc/87/23/68/1375872368.db2.gz WBPYYNUJBUEFMR-ZBTAVZRMSA-N 2 0 337.552 3.290 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001133333364 1375928583 /nfs/dbraw/zinc/92/85/83/1375928583.db2.gz GCMOUVOBIGFZGZ-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133337156 1375931262 /nfs/dbraw/zinc/93/12/62/1375931262.db2.gz JLFSHYGFGWEZHX-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230017473 1375931572 /nfs/dbraw/zinc/93/15/72/1375931572.db2.gz WVFQODXRYLNBGW-IEBWSBKVSA-N 2 0 349.494 3.008 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133345454 1375934227 /nfs/dbraw/zinc/93/42/27/1375934227.db2.gz CJZIODNXPMIOFS-AZUAARDMSA-N 2 0 349.563 3.291 20 0 EGADRP CCCc1ccc(C[NH+]2CCC(NC(=O)C[N@@H+](C)CCC)CC2)cc1 ZINC001230113129 1375945578 /nfs/dbraw/zinc/94/55/78/1375945578.db2.gz SSVIVCFGCNRHLT-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001230113238 1375946354 /nfs/dbraw/zinc/94/63/54/1375946354.db2.gz YUSBWNRSQPKCDE-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284546 1375984342 /nfs/dbraw/zinc/98/43/42/1375984342.db2.gz KDVDWLQYZSDVHF-MISYRCLQSA-N 2 0 345.531 3.413 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001230284515 1375984988 /nfs/dbraw/zinc/98/49/88/1375984988.db2.gz IXODMWZEGLPCJD-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230342221 1376004349 /nfs/dbraw/zinc/00/43/49/1376004349.db2.gz ZWBTXECADVQAHJ-RCCFBDPRSA-N 2 0 341.515 3.018 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001230360354 1376008930 /nfs/dbraw/zinc/00/89/30/1376008930.db2.gz ZCHVZLRGXOUVNP-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378010 1376011094 /nfs/dbraw/zinc/01/10/94/1376011094.db2.gz IBFNSUFEQZFGIK-PXDRNWIDSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592190 1376090690 /nfs/dbraw/zinc/09/06/90/1376090690.db2.gz UNUMUNPLKQELNW-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1)C(C)C ZINC001230611647 1376102204 /nfs/dbraw/zinc/10/22/04/1376102204.db2.gz WXFUNTGZWQMFHV-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1cc2ccccc2s1)[NH+](CC)CC ZINC001133685303 1376154701 /nfs/dbraw/zinc/15/47/01/1376154701.db2.gz SMEDDLXLJWNCBV-QGZVFWFLSA-N 2 0 347.528 3.228 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](CC)CC ZINC001133686905 1376155627 /nfs/dbraw/zinc/15/56/27/1376155627.db2.gz BGKYHFILLXWMBA-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)[NH+](CC)CC ZINC001133689770 1376157945 /nfs/dbraw/zinc/15/79/45/1376157945.db2.gz BWEWCMHQBSSIOY-UZLBHIALSA-N 2 0 345.531 3.063 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccc2ccccc2c1 ZINC001133834450 1376224002 /nfs/dbraw/zinc/22/40/02/1376224002.db2.gz YEOYDJKXZGHMAT-SJORKVTESA-N 2 0 339.483 3.091 20 0 EGADRP Cc1sc2ccccc2c1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001231650218 1376293359 /nfs/dbraw/zinc/29/33/59/1376293359.db2.gz ZETVDAQNELBNBM-UHFFFAOYSA-N 2 0 331.529 3.279 20 0 EGADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232013524 1376382183 /nfs/dbraw/zinc/38/21/83/1376382183.db2.gz AXYHZFFXIFSAFP-OAHLLOKOSA-N 2 0 330.432 3.004 20 0 EGADRP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)N1c1ccccc1 ZINC001232013805 1376382787 /nfs/dbraw/zinc/38/27/87/1376382787.db2.gz UHKBRNLIGKTHAV-WOJBJXKFSA-N 2 0 346.434 3.333 20 0 EGADRP C[N@@H+](Cc1cncc(O)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232044838 1376389675 /nfs/dbraw/zinc/38/96/75/1376389675.db2.gz OKLGZRJPSNVVTO-UHFFFAOYSA-N 2 0 325.456 3.131 20 0 EGADRP CC[N@H+]1C[C@H]2CN(Cc3c(Br)[nH]c4ccccc43)C[C@H]2C1 ZINC001232145304 1376408721 /nfs/dbraw/zinc/40/87/21/1376408721.db2.gz OFYUOZCJKBXMGG-BETUJISGSA-N 2 0 348.288 3.314 20 0 EGADRP CSc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)cn1 ZINC001232351930 1376446382 /nfs/dbraw/zinc/44/63/82/1376446382.db2.gz SHYQINGQGBWSFK-INIZCTEOSA-N 2 0 329.469 3.469 20 0 EGADRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3cccs3)cn2)CC1 ZINC001232366593 1376451094 /nfs/dbraw/zinc/45/10/94/1376451094.db2.gz YFSVIMSRLIPOHQ-QGZVFWFLSA-N 2 0 342.512 3.232 20 0 EGADRP Cc1cc(O)cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001232880758 1376529837 /nfs/dbraw/zinc/52/98/37/1376529837.db2.gz RZHVTUQYCUFLCR-UHFFFAOYSA-N 2 0 332.488 3.025 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612368 1376624455 /nfs/dbraw/zinc/62/44/55/1376624455.db2.gz LREWMWBJVQSKIR-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCC(C)(C)C ZINC001752872908 1440237386 /nfs/dbraw/zinc/23/73/86/1440237386.db2.gz LMRRKRFYIDBRLC-MRXNPFEDSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001134762967 1376707772 /nfs/dbraw/zinc/70/77/72/1376707772.db2.gz IYQHBRBOLATHRF-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001134772773 1376711743 /nfs/dbraw/zinc/71/17/43/1376711743.db2.gz HLFNWPQMPGZAOY-CVEARBPZSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001134772443 1376712731 /nfs/dbraw/zinc/71/27/31/1376712731.db2.gz DFFBOSMHGOORBU-ROUUACIJSA-N 2 0 347.547 3.407 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134889305 1376769619 /nfs/dbraw/zinc/76/96/19/1376769619.db2.gz SEKITVXGLBNNIY-ILNYKDOHSA-N 2 0 328.460 3.177 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993917 1376832428 /nfs/dbraw/zinc/83/24/28/1376832428.db2.gz NEHWZKSBNGRCRD-HZPDHXFCSA-N 2 0 342.487 3.401 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994535 1376833911 /nfs/dbraw/zinc/83/39/11/1376833911.db2.gz SFRGQRLSRLEQAD-GJZGRUSLSA-N 2 0 330.476 3.257 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001235038117 1376836073 /nfs/dbraw/zinc/83/60/73/1376836073.db2.gz TTWOBCYJRHVJRH-HXUWFJFHSA-N 2 0 326.440 3.042 20 0 EGADRP Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427706 1376870331 /nfs/dbraw/zinc/87/03/31/1376870331.db2.gz MYUGPYYZFKSVKR-PMACEKPBSA-N 2 0 338.499 3.392 20 0 EGADRP COc1ccc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235429735 1376870510 /nfs/dbraw/zinc/87/05/10/1376870510.db2.gz RERONZQEVPHUQO-JKSUJKDBSA-N 2 0 327.472 3.388 20 0 EGADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C[C@H]2CCCC[NH2+]2)C3)c1 ZINC001235630245 1376879208 /nfs/dbraw/zinc/87/92/08/1376879208.db2.gz WWSIOPFALIQEEP-UXHICEINSA-N 2 0 331.479 3.008 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082232 1376885230 /nfs/dbraw/zinc/88/52/30/1376885230.db2.gz ZKOJQFVHVIHKQN-IRXDYDNUSA-N 2 0 325.541 3.314 20 0 EGADRP CC[N@H+](Cc1cc(Br)ccc1N(C)C)C1CC[NH2+]CC1 ZINC001235764488 1376889997 /nfs/dbraw/zinc/88/99/97/1376889997.db2.gz GQUGZNOCFWNARY-UHFFFAOYSA-N 2 0 340.309 3.089 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001135095837 1376892253 /nfs/dbraw/zinc/89/22/53/1376892253.db2.gz SKXGNDBKFCBTFH-VQTJNVASSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135100079 1376898024 /nfs/dbraw/zinc/89/80/24/1376898024.db2.gz AWBKVCWFPMPCCA-ZWKOTPCHSA-N 2 0 337.552 3.338 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135101536 1376899274 /nfs/dbraw/zinc/89/92/74/1376899274.db2.gz MOFNWGZMSSDBDG-MSOLQXFVSA-N 2 0 345.531 3.243 20 0 EGADRP Clc1cccc([C@@H]2CC[N@H+](CC[C@H]3C[NH2+]CCO3)C2)c1Cl ZINC001235885226 1376911022 /nfs/dbraw/zinc/91/10/22/1376911022.db2.gz TWYLNECEKZDKPQ-OLZOCXBDSA-N 2 0 329.271 3.161 20 0 EGADRP COCC[N@H+](CCCc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235946786 1376922122 /nfs/dbraw/zinc/92/21/22/1376922122.db2.gz SROBBKYZZXWONO-UHFFFAOYSA-N 2 0 344.421 3.338 20 0 EGADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3sccc3Oc3ccccc3)C2)C1 ZINC001236077037 1376932298 /nfs/dbraw/zinc/93/22/98/1376932298.db2.gz FBMWPGGBLISCTD-INIZCTEOSA-N 2 0 343.496 3.148 20 0 EGADRP [NH3+]C1CCC([N@@H+](Cc2ccccc2)C[C@@H]2Cc3ccccc3CN2)CC1 ZINC001236227319 1376943256 /nfs/dbraw/zinc/94/32/56/1376943256.db2.gz BTVHCHHAXXZCHH-KOENEWCDSA-N 2 0 349.522 3.473 20 0 EGADRP Fc1cc(-c2ccc3c(n2)OCC[NH2+]C3)ccc1C[NH+]1CCCCC1 ZINC001236230640 1376943870 /nfs/dbraw/zinc/94/38/70/1376943870.db2.gz CPRPQESCXXCZFQ-UHFFFAOYSA-N 2 0 341.430 3.356 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180437 1376953467 /nfs/dbraw/zinc/95/34/67/1376953467.db2.gz HITDCRITHRMRCJ-IRXDYDNUSA-N 2 0 325.541 3.314 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc(-n3ccnn3)cc2)CC1 ZINC001242416920 1377023357 /nfs/dbraw/zinc/02/33/57/1377023357.db2.gz MCZXYNOKGJSXRF-UHFFFAOYSA-N 2 0 347.466 3.105 20 0 EGADRP CCc1ccc(CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135317340 1377034624 /nfs/dbraw/zinc/03/46/24/1377034624.db2.gz XYWCFIJUCDNOMM-QZTJIDSGSA-N 2 0 347.547 3.006 20 0 EGADRP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1Cl ZINC001246296517 1377050744 /nfs/dbraw/zinc/05/07/44/1377050744.db2.gz RXVKMJUFRRGFHY-DVJFUJMWSA-N 2 0 342.314 3.469 20 0 EGADRP CCCCCC(CCCCC)[NH2+]CCOCCOCCOCC[NH3+] ZINC001246292830 1377051134 /nfs/dbraw/zinc/05/11/34/1377051134.db2.gz XVDURBRMGOVCKN-UHFFFAOYSA-N 2 0 346.556 3.114 20 0 EGADRP [NH3+]C1CCC(N([C@@H]2C[C@H]2c2ccccc2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246292451 1377051317 /nfs/dbraw/zinc/05/13/17/1377051317.db2.gz WBIHYCYXVVPOKC-VKNHOLBOSA-N 2 0 327.516 3.257 20 0 EGADRP Fc1cccc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246380861 1377051539 /nfs/dbraw/zinc/05/15/39/1377051539.db2.gz YTENLKOMPGDKHI-PMOLBWCYSA-N 3 0 345.506 3.001 20 0 EGADRP CC1(C)C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722148 1377053432 /nfs/dbraw/zinc/05/34/32/1377053432.db2.gz HOQONJRZBBIYPH-HLIPFELVSA-N 2 0 329.488 3.093 20 0 EGADRP CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246763316 1377053972 /nfs/dbraw/zinc/05/39/72/1377053972.db2.gz HGBPFMZCVADHMU-CUWPLCDZSA-N 2 0 339.527 3.463 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372528 1377059898 /nfs/dbraw/zinc/05/98/98/1377059898.db2.gz RAJSNRFLKBCHRE-IAGOWNOFSA-N 2 0 333.520 3.135 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccccc1Cl ZINC001135436986 1377096714 /nfs/dbraw/zinc/09/67/14/1377096714.db2.gz JBAWVDSRMFCWEE-UHFFFAOYSA-N 2 0 339.911 3.058 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001135437025 1377097153 /nfs/dbraw/zinc/09/71/53/1377097153.db2.gz KDNDJFLQITVWAY-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001135440059 1377098542 /nfs/dbraw/zinc/09/85/42/1377098542.db2.gz CXVFKZGIVZDQTO-IBGZPJMESA-N 2 0 349.494 3.031 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001135441090 1377099311 /nfs/dbraw/zinc/09/93/11/1377099311.db2.gz YZDMOCFOXUSCHK-LJQANCHMSA-N 2 0 349.494 3.031 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccccc3F)CCOCC2)CC1 ZINC001254510734 1377105532 /nfs/dbraw/zinc/10/55/32/1377105532.db2.gz QBAMYCFNUFOCOA-GOSISDBHSA-N 2 0 334.479 3.239 20 0 EGADRP CC[N@H+]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254530079 1377107449 /nfs/dbraw/zinc/10/74/49/1377107449.db2.gz UPMFWLMHGNUQGE-SJORKVTESA-N 2 0 339.524 3.192 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471261 1377108808 /nfs/dbraw/zinc/10/88/08/1377108808.db2.gz JKANMSHMONMTCR-MSOLQXFVSA-N 2 0 347.547 3.467 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1 ZINC001135475467 1377110003 /nfs/dbraw/zinc/11/00/03/1377110003.db2.gz AVFXLUUOYTYYBK-SJORKVTESA-N 2 0 333.520 3.037 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC001135511406 1377122950 /nfs/dbraw/zinc/12/29/50/1377122950.db2.gz QTENCMLWHOYEKN-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613839 1377161732 /nfs/dbraw/zinc/16/17/32/1377161732.db2.gz IAPWBEKVYXRFKX-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676583 1377180868 /nfs/dbraw/zinc/18/08/68/1377180868.db2.gz YVTPYSWIIYQXFH-SJORKVTESA-N 2 0 333.520 3.281 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135706030 1377190718 /nfs/dbraw/zinc/19/07/18/1377190718.db2.gz NMNORVJZNPYHNQ-ZIAGYGMSSA-N 2 0 339.549 3.080 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[NH+](C)C)cc1 ZINC001135717629 1377193245 /nfs/dbraw/zinc/19/32/45/1377193245.db2.gz XNTWAPGRONMKKX-UXHICEINSA-N 2 0 345.531 3.088 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135743354 1377199074 /nfs/dbraw/zinc/19/90/74/1377199074.db2.gz IZXHFVAXMCMTGB-STQMWFEESA-N 2 0 345.940 3.116 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135743543 1377199171 /nfs/dbraw/zinc/19/91/71/1377199171.db2.gz MCFIUCGAERDCNK-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001135744094 1377199972 /nfs/dbraw/zinc/19/99/72/1377199972.db2.gz VNRZTQOYDBXOIE-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135748092 1377201353 /nfs/dbraw/zinc/20/13/53/1377201353.db2.gz YSWCSZNHAZIIDB-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001266144590 1377206907 /nfs/dbraw/zinc/20/69/07/1377206907.db2.gz WBFNCSMOTPOCAU-MSOLQXFVSA-N 2 0 345.531 3.497 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823675 1377222361 /nfs/dbraw/zinc/22/23/61/1377222361.db2.gz FSIVGSZTSZXPFO-BTFXCVNISA-N 2 0 337.552 3.336 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135857713 1377236819 /nfs/dbraw/zinc/23/68/19/1377236819.db2.gz MWOVWXHYDOJFPD-QWHCGFSZSA-N 2 0 345.940 3.116 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135858453 1377237053 /nfs/dbraw/zinc/23/70/53/1377237053.db2.gz YHBUZYUIBMXPOC-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135857714 1377237129 /nfs/dbraw/zinc/23/71/29/1377237129.db2.gz MWOVWXHYDOJFPD-STQMWFEESA-N 2 0 345.940 3.116 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135861489 1377238724 /nfs/dbraw/zinc/23/87/24/1377238724.db2.gz RSZMZUPPVHOFHW-ZIAGYGMSSA-N 2 0 339.549 3.080 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001135974607 1377283815 /nfs/dbraw/zinc/28/38/15/1377283815.db2.gz RWOPSVBCRSQZIH-FCJQBXHQSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)CCCC[NH+](C)C ZINC001135976694 1377284508 /nfs/dbraw/zinc/28/45/08/1377284508.db2.gz LTYLJGNJSJLBOT-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135980276 1377285846 /nfs/dbraw/zinc/28/58/46/1377285846.db2.gz MOVADUUYJGBBFN-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135980165 1377286375 /nfs/dbraw/zinc/28/63/75/1377286375.db2.gz LXDUMIRYLIHYLP-DLBZAZTESA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001135996445 1377292306 /nfs/dbraw/zinc/29/23/06/1377292306.db2.gz SWTOBXAUGQSOKW-HUUCEWRRSA-N 2 0 339.549 3.161 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001266361364 1377295927 /nfs/dbraw/zinc/29/59/27/1377295927.db2.gz LVZUMRDYDHEDOO-AZUAARDMSA-N 2 0 343.515 3.123 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[N@H+](CC2CCC(C)(C)CC2)C2CC2)CCC1 ZINC001266594464 1377340690 /nfs/dbraw/zinc/34/06/90/1377340690.db2.gz LQQRSAGUOWNPAE-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001266913734 1377402301 /nfs/dbraw/zinc/40/23/01/1377402301.db2.gz QGCURQPLVSKXTK-VNCLNFNDSA-N 2 0 349.494 3.246 20 0 EGADRP COc1ccc(Cl)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001137264962 1377506286 /nfs/dbraw/zinc/50/62/86/1377506286.db2.gz FJRXXEQODZQUJI-UHFFFAOYSA-N 2 0 341.927 3.054 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc(F)c1OC ZINC001137506254 1377558633 /nfs/dbraw/zinc/55/86/33/1377558633.db2.gz NIPCHVJOEFSEGO-UHFFFAOYSA-N 2 0 338.467 3.395 20 0 EGADRP CNc1ncccc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001138693233 1377768730 /nfs/dbraw/zinc/76/87/30/1377768730.db2.gz PWNOKDSKNQICGO-OAQYLSRUSA-N 2 0 336.483 3.221 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nn1C ZINC001138829999 1377793116 /nfs/dbraw/zinc/79/31/16/1377793116.db2.gz CMYJFDWROWCYLV-PMACEKPBSA-N 2 0 338.499 3.073 20 0 EGADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001139100053 1377829633 /nfs/dbraw/zinc/82/96/33/1377829633.db2.gz PXNOJDVYBNAEDD-PMACEKPBSA-N 2 0 338.499 3.371 20 0 EGADRP COc1ccc2c(c1)c(C[NH+]1CCC3(CC[NH+](C)CC3)CC1)cn2C ZINC001139149674 1377839015 /nfs/dbraw/zinc/83/90/15/1377839015.db2.gz IYNBXHBXRKJERS-UHFFFAOYSA-N 2 0 341.499 3.495 20 0 EGADRP CN1CCN(c2ncc(C[N@@H+]3CCC4(C3)CCCCC4)s2)CC1 ZINC001139327069 1377868907 /nfs/dbraw/zinc/86/89/07/1377868907.db2.gz XZVYEOCRLAQRNZ-UHFFFAOYSA-N 2 0 334.533 3.051 20 0 EGADRP c1ncn(-c2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc2)n1 ZINC001139332808 1377868942 /nfs/dbraw/zinc/86/89/42/1377868942.db2.gz NKGBLIQRIOCVCV-IBGZPJMESA-N 2 0 339.487 3.108 20 0 EGADRP Cn1ncc2cc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001139952678 1377982602 /nfs/dbraw/zinc/98/26/02/1377982602.db2.gz USHAXSSRNSUWLC-RBUKOAKNSA-N 2 0 326.488 3.412 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1csc(Cl)n1 ZINC001139978224 1377986704 /nfs/dbraw/zinc/98/67/04/1377986704.db2.gz NLKVSAPBJSASNV-UHFFFAOYSA-N 2 0 346.972 3.282 20 0 EGADRP CC[N@H+](CCn1ccnc1)Cc1cccc(Br)c1OC ZINC001140155764 1378022737 /nfs/dbraw/zinc/02/27/37/1378022737.db2.gz KLPGWMNJQRNFJU-UHFFFAOYSA-N 2 0 338.249 3.176 20 0 EGADRP CC(C)NC(=O)c1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001140617370 1378098710 /nfs/dbraw/zinc/09/87/10/1378098710.db2.gz KLPVXBBVFHCTCE-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cccc2c[nH+]cn21 ZINC001274111430 1378116874 /nfs/dbraw/zinc/11/68/74/1378116874.db2.gz ZCMCPZIVGKNAGJ-OXQOHEQNSA-N 2 0 340.471 3.090 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cnc2cc[nH]cc1-2 ZINC001140805166 1378144959 /nfs/dbraw/zinc/14/49/59/1378144959.db2.gz UUKOEXZMSBEGNS-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3-c3cncnc3)CC2)C1 ZINC001275895441 1378161204 /nfs/dbraw/zinc/16/12/04/1378161204.db2.gz SPVZTOAWZINHKH-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001276365585 1378173251 /nfs/dbraw/zinc/17/32/51/1378173251.db2.gz RNQTYTVHYGHDRS-MQVJKMGUSA-N 2 0 346.475 3.143 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001276492584 1378175831 /nfs/dbraw/zinc/17/58/31/1378175831.db2.gz WMJSZYFZZPCFPW-VXKWHMMOSA-N 2 0 341.543 3.459 20 0 EGADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Br)c(O)c3)(C1)CCC2 ZINC001276776992 1378187718 /nfs/dbraw/zinc/18/77/18/1378187718.db2.gz KQZMAIPWKZIZJL-JKSUJKDBSA-N 2 0 339.277 3.309 20 0 EGADRP COC(C)(C)C[NH+]1CCC2(CC[N@H+](Cc3scnc3C)C2)CC1 ZINC001277584666 1378234656 /nfs/dbraw/zinc/23/46/56/1378234656.db2.gz MUVWWYDXGQIZQN-UHFFFAOYSA-N 2 0 337.533 3.164 20 0 EGADRP CCC[C@H](C)C[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278148275 1378260044 /nfs/dbraw/zinc/26/00/44/1378260044.db2.gz MULMQMHTNUCSRT-CUWPLCDZSA-N 2 0 349.563 3.125 20 0 EGADRP CCOC(=O)c1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1 ZINC001142595057 1378462816 /nfs/dbraw/zinc/46/28/16/1378462816.db2.gz KUQPWBZTGGJQPP-UHFFFAOYSA-N 2 0 344.499 3.417 20 0 EGADRP CN(CCC[NH+](C)C)Cc1ccc(OC(F)F)c(OC(F)F)c1 ZINC001142808962 1378489170 /nfs/dbraw/zinc/48/91/70/1378489170.db2.gz NVOTWDPXIWXXHP-UHFFFAOYSA-N 2 0 338.345 3.273 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001142918614 1378509504 /nfs/dbraw/zinc/50/95/04/1378509504.db2.gz LRQHURQGPCVMTA-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001282744502 1378595508 /nfs/dbraw/zinc/59/55/08/1378595508.db2.gz OPOLYBZUJQSITI-JXFKEZNVSA-N 2 0 345.531 3.087 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447005 1378597969 /nfs/dbraw/zinc/59/79/69/1378597969.db2.gz NFCKIUXNPSXHRS-OAHLLOKOSA-N 2 0 332.341 3.252 20 0 EGADRP COc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001143514435 1378606842 /nfs/dbraw/zinc/60/68/42/1378606842.db2.gz UCCUTJUFTTWNOK-KGLIPLIRSA-N 2 0 328.378 3.098 20 0 EGADRP COc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1C(F)(F)F ZINC001143638989 1378628773 /nfs/dbraw/zinc/62/87/73/1378628773.db2.gz JWTBELKAIRSKJT-KGLIPLIRSA-N 2 0 328.378 3.098 20 0 EGADRP CN(CCC[NH+]1CCCC1)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143691103 1378635573 /nfs/dbraw/zinc/63/55/73/1378635573.db2.gz APVDBUAXYNOLOJ-UHFFFAOYSA-N 2 0 348.491 3.346 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[NH+]1CCCC1 ZINC001146338739 1378820561 /nfs/dbraw/zinc/82/05/61/1378820561.db2.gz HTEPQTSICZJPHM-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2cccc(C)c2)CC1 ZINC001283339946 1378822969 /nfs/dbraw/zinc/82/29/69/1378822969.db2.gz ATTBJYRZRXKTJB-SFHVURJKSA-N 2 0 345.531 3.321 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC001146392388 1378833095 /nfs/dbraw/zinc/83/30/95/1378833095.db2.gz SKDUGADDYSYZJC-LJQANCHMSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C1CC1)NC(=O)C[NH+]1CCCC1 ZINC001146397385 1378834295 /nfs/dbraw/zinc/83/42/95/1378834295.db2.gz DWEPZLJCJSJFLG-DLBZAZTESA-N 2 0 343.515 3.033 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533502 1378861501 /nfs/dbraw/zinc/86/15/01/1378861501.db2.gz GRCNLNMIEGSGBH-LXORQPIJSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001146535739 1378862201 /nfs/dbraw/zinc/86/22/01/1378862201.db2.gz NVCXFXDOLSUIGV-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]CCCC1CCC1 ZINC001146536630 1378862508 /nfs/dbraw/zinc/86/25/08/1378862508.db2.gz SMILHCIWLHNPEU-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001147359380 1379009043 /nfs/dbraw/zinc/00/90/43/1379009043.db2.gz PZLYTKNHCFSBFB-PKOBYXMFSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+]CCC1CCCCC1)c1ccccc1 ZINC001147410114 1379015350 /nfs/dbraw/zinc/01/53/50/1379015350.db2.gz MHUIMWICYSGVKK-NRFANRHFSA-N 2 0 345.531 3.140 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC001147466410 1379025815 /nfs/dbraw/zinc/02/58/15/1379025815.db2.gz KYTWKEGNLSYEIE-XLIONFOSSA-N 2 0 339.483 3.146 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CCCC1)C2 ZINC001148458111 1379175985 /nfs/dbraw/zinc/17/59/85/1379175985.db2.gz JJXCHHFMEOKACK-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001148578201 1379216433 /nfs/dbraw/zinc/21/64/33/1379216433.db2.gz QGVNMRAMPZFGHY-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605754 1379224162 /nfs/dbraw/zinc/22/41/62/1379224162.db2.gz UDXWEMRWUGERNN-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839981 1379280857 /nfs/dbraw/zinc/28/08/57/1379280857.db2.gz WUGGBSPHLKCQPE-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148842782 1379282311 /nfs/dbraw/zinc/28/23/11/1379282311.db2.gz CCYMLXUSUIGHGZ-LJQANCHMSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001284028777 1379377614 /nfs/dbraw/zinc/37/76/14/1379377614.db2.gz BIBBXZBGVPWFRV-QAPCUYQASA-N 2 0 349.544 3.012 20 0 EGADRP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC001327865892 1388609561 /nfs/dbraw/zinc/60/95/61/1388609561.db2.gz VNAPMHJOOYYSAW-GDBMZVCRSA-N 2 0 344.434 3.055 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001152245844 1379893798 /nfs/dbraw/zinc/89/37/98/1379893798.db2.gz NOUZLAWBCKRLJO-ROUUACIJSA-N 2 0 345.531 3.284 20 0 EGADRP CC[N@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392806 1379926159 /nfs/dbraw/zinc/92/61/59/1379926159.db2.gz UVVXBEJYCBUYEZ-OJECNVDMSA-N 2 0 343.515 3.011 20 0 EGADRP CC1CC(C[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C)C1 ZINC001284629729 1380032853 /nfs/dbraw/zinc/03/28/53/1380032853.db2.gz GBILTLPEKOOEMR-OFLPRAFFSA-N 2 0 339.568 3.131 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]C[C@H](C)CC(C)C)o1 ZINC001153266769 1380046917 /nfs/dbraw/zinc/04/69/17/1380046917.db2.gz ODPGAGNHCSPJNQ-MRXNPFEDSA-N 2 0 337.508 3.123 20 0 EGADRP C[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001153447810 1380079291 /nfs/dbraw/zinc/07/92/91/1380079291.db2.gz LPOKFNPNOCFIGB-GOSISDBHSA-N 2 0 345.531 3.278 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854680 1380144336 /nfs/dbraw/zinc/14/43/36/1380144336.db2.gz PPYOCJSPFOTVDW-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC(C)C ZINC001154069596 1380197892 /nfs/dbraw/zinc/19/78/92/1380197892.db2.gz HUCDNUDBFMWHNR-IAGOWNOFSA-N 2 0 327.557 3.226 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154122754 1380212283 /nfs/dbraw/zinc/21/22/83/1380212283.db2.gz JKECQANNHWIJEI-JCMVTEASSA-N 2 0 337.552 3.290 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154332263 1380257488 /nfs/dbraw/zinc/25/74/88/1380257488.db2.gz OJVVCUMHQXKWCU-MRXNPFEDSA-N 2 0 340.471 3.275 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154474203 1380285107 /nfs/dbraw/zinc/28/51/07/1380285107.db2.gz WOGHPKCPYFGUAB-GOSISDBHSA-N 2 0 345.531 3.278 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154480651 1380285614 /nfs/dbraw/zinc/28/56/14/1380285614.db2.gz CQVCFZANYDFLNW-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154504612 1380293090 /nfs/dbraw/zinc/29/30/90/1380293090.db2.gz ZPUSZQSKOHCRMG-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579835 1380309271 /nfs/dbraw/zinc/30/92/71/1380309271.db2.gz HHBDZXUYZOGKBU-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904201 1380374731 /nfs/dbraw/zinc/37/47/31/1380374731.db2.gz PBKHYDIRNUQDGF-CECLQJIQSA-N 2 0 345.531 3.258 20 0 EGADRP CC[N@H+](Cc1cccc2ccccc21)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999114 1380388047 /nfs/dbraw/zinc/38/80/47/1380388047.db2.gz CSPUBJDFLVDFPO-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CC[N@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067384 1380402603 /nfs/dbraw/zinc/40/26/03/1380402603.db2.gz YKDZSFGARUXOLH-VPSPJNPGSA-N 2 0 345.531 3.113 20 0 EGADRP C[N@H+](Cc1ccc(N2CC[NH+]3CCc4ccccc4[C@@H]3C2)nc1)C1CC1 ZINC001155103048 1380409001 /nfs/dbraw/zinc/40/90/01/1380409001.db2.gz IPGZBWWLUQJPQO-NRFANRHFSA-N 2 0 348.494 3.095 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC2(CC2)CC1)[NH+](C)C ZINC001155289397 1380433991 /nfs/dbraw/zinc/43/39/91/1380433991.db2.gz QHYXOYIUQRXRBC-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155620403 1380474918 /nfs/dbraw/zinc/47/49/18/1380474918.db2.gz GQLGOLYAOXJXRM-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001155811890 1380494294 /nfs/dbraw/zinc/49/42/94/1380494294.db2.gz LIAZCVYRYCMJLQ-APWZRJJASA-N 2 0 345.531 3.235 20 0 EGADRP COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1cc(N)c(C)c[nH+]1 ZINC001156019662 1380513622 /nfs/dbraw/zinc/51/36/22/1380513622.db2.gz ZNVYDHAGAUOKLF-UHFFFAOYSA-N 2 0 336.439 3.392 20 0 EGADRP CC[NH+](Cc1ccccc1Cl)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194786 1380539954 /nfs/dbraw/zinc/53/99/54/1380539954.db2.gz WBCHEIZZXQTSCD-OAHLLOKOSA-N 2 0 339.911 3.008 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374771 1380566715 /nfs/dbraw/zinc/56/67/15/1380566715.db2.gz WYZNFJHMSKRHAB-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092113 1380774193 /nfs/dbraw/zinc/77/41/93/1380774193.db2.gz LMHJXEBCJMRVFX-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cc2[nH]ccc2c(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[nH+]1 ZINC001157166693 1380792759 /nfs/dbraw/zinc/79/27/59/1380792759.db2.gz USNXCXBLYFUNRJ-AWEZNQCLSA-N 2 0 332.448 3.123 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001157887878 1381061110 /nfs/dbraw/zinc/06/11/10/1381061110.db2.gz ZNKKEKSOGBKBTD-FQEVSTJZSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001157893810 1381064312 /nfs/dbraw/zinc/06/43/12/1381064312.db2.gz NGPQLTXEPLCIFP-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001328254580 1388700426 /nfs/dbraw/zinc/70/04/26/1388700426.db2.gz DZDXZXKMYBCWJP-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437843 1381246995 /nfs/dbraw/zinc/24/69/95/1381246995.db2.gz GLNLOIJBXUOHQI-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449604 1381249235 /nfs/dbraw/zinc/24/92/35/1381249235.db2.gz CZINTUZHBQHYSK-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCCF)cc1 ZINC001158605187 1381316916 /nfs/dbraw/zinc/31/69/16/1381316916.db2.gz OZWGNQQFJPEEER-LJQANCHMSA-N 2 0 349.494 3.034 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704355 1381360899 /nfs/dbraw/zinc/36/08/99/1381360899.db2.gz KMZSHBPTHWOCSK-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001158787192 1381399657 /nfs/dbraw/zinc/39/96/57/1381399657.db2.gz MRYONGIVHFUNIC-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001328355215 1388728960 /nfs/dbraw/zinc/72/89/60/1388728960.db2.gz CRFCWIUXQZYBTM-GFCCVEGCSA-N 2 0 340.358 3.121 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2cccnc2N2CC[C@@H]([NH3+])C2)cc1 ZINC001159330127 1381765191 /nfs/dbraw/zinc/76/51/91/1381765191.db2.gz KLWWRGSZWSNYHZ-QGZVFWFLSA-N 2 0 339.487 3.204 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001159628449 1381852458 /nfs/dbraw/zinc/85/24/58/1381852458.db2.gz JGJMNYILQIWRFZ-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CC1CCC(C[N@H+]2CC=C(CCNC(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001159628380 1381852737 /nfs/dbraw/zinc/85/27/37/1381852737.db2.gz HHJYLJDIBAMOCM-LYBXBRPPSA-N 2 0 347.547 3.045 20 0 EGADRP COc1ccc2c(c1)nc(N[C@H]([NH3+])CCC[NH3+])cc2-c1ccccc1 ZINC001159786582 1381899148 /nfs/dbraw/zinc/89/91/48/1381899148.db2.gz DZFKYNJRVWFXGL-IBGZPJMESA-N 2 0 336.439 3.346 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC001159787651 1381900467 /nfs/dbraw/zinc/90/04/67/1381900467.db2.gz ARTYFLRUICLQMG-LBPRGKRZSA-N 2 0 344.221 3.025 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC001159823241 1381911958 /nfs/dbraw/zinc/91/19/58/1381911958.db2.gz VYMDNGRFRUJOQY-WOJBJXKFSA-N 2 0 345.531 3.212 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001159837506 1381916939 /nfs/dbraw/zinc/91/69/39/1381916939.db2.gz FERZQNJJSCPAAB-LJQANCHMSA-N 2 0 337.552 3.031 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159900865 1381932776 /nfs/dbraw/zinc/93/27/76/1381932776.db2.gz BCMYHGSPZZQBCE-LJQANCHMSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001159909220 1381933958 /nfs/dbraw/zinc/93/39/58/1381933958.db2.gz LMIZJZJZVVKKOP-SJORKVTESA-N 2 0 349.494 3.246 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)c1F ZINC001159953332 1381948675 /nfs/dbraw/zinc/94/86/75/1381948675.db2.gz FYYZPOXSZKNMOG-QGZVFWFLSA-N 2 0 329.419 3.420 20 0 EGADRP [NH3+]C1CCN(c2c(F)cccc2Nc2cccc3c2CC[NH2+]C3)CC1 ZINC001160108358 1381998616 /nfs/dbraw/zinc/99/86/16/1381998616.db2.gz KKSBVWRIVRSOCY-UHFFFAOYSA-N 2 0 340.446 3.143 20 0 EGADRP Cc1[nH]c2ccc(Nc3ccc(O[C@@H]4CC[NH2+]C4)c(F)c3)cc2[nH+]1 ZINC001160163992 1382022154 /nfs/dbraw/zinc/02/21/54/1382022154.db2.gz OWXHCPCXXPYSEG-CQSZACIVSA-N 2 0 326.375 3.495 20 0 EGADRP C[NH+](C)CCCn1cc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)cn1 ZINC001160256848 1382051557 /nfs/dbraw/zinc/05/15/57/1382051557.db2.gz PGLVVMIJIFCONL-GOSISDBHSA-N 2 0 341.503 3.121 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160360336 1382082156 /nfs/dbraw/zinc/08/21/56/1382082156.db2.gz PINIZMSBCIMDEO-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399609 1382093437 /nfs/dbraw/zinc/09/34/37/1382093437.db2.gz BPVONXQHKHGJAY-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001160500115 1382124028 /nfs/dbraw/zinc/12/40/28/1382124028.db2.gz LEPZIZIINXQRBE-HXUWFJFHSA-N 2 0 345.531 3.110 20 0 EGADRP Cc1cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc2c(Cl)cccc12 ZINC001160513236 1382127012 /nfs/dbraw/zinc/12/70/12/1382127012.db2.gz LWSFXEVMYBRXFR-GOSISDBHSA-N 2 0 330.863 3.032 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001160519298 1382130508 /nfs/dbraw/zinc/13/05/08/1382130508.db2.gz ZUIFWDAQBXGNBZ-UHFFFAOYSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160567615 1382144471 /nfs/dbraw/zinc/14/44/71/1382144471.db2.gz HCIWDBQLCZIQOM-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804425 1382201844 /nfs/dbraw/zinc/20/18/44/1382201844.db2.gz KPVHUAPLOWEJBB-SFHVURJKSA-N 2 0 349.563 3.435 20 0 EGADRP Cc1cc(C(F)(F)n2cc(CC[NH3+])c3c[nH+]ccc32)cc(Cl)n1 ZINC001160944336 1382245531 /nfs/dbraw/zinc/24/55/31/1382245531.db2.gz FGNOIQGPUWRQSA-UHFFFAOYSA-N 2 0 336.773 3.492 20 0 EGADRP [NH3+]CCc1cn(C(F)(F)c2cnc(Cl)c(F)c2)c2cc[nH+]cc12 ZINC001160945822 1382246690 /nfs/dbraw/zinc/24/66/90/1382246690.db2.gz NWOWFGHPFQPIAI-UHFFFAOYSA-N 2 0 340.736 3.323 20 0 EGADRP CCc1nc(Cl)c(-n2cc(CC[NH3+])c3c[nH+]ccc32)c(Cl)n1 ZINC001160952035 1382248897 /nfs/dbraw/zinc/24/88/97/1382248897.db2.gz PHINLMNPPLCXJP-UHFFFAOYSA-N 2 0 336.226 3.186 20 0 EGADRP CC(C)c1noc(-c2ccnc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c2)n1 ZINC001160951220 1382249350 /nfs/dbraw/zinc/24/93/50/1382249350.db2.gz AENLSHZQYWKBMJ-UHFFFAOYSA-N 2 0 348.410 3.095 20 0 EGADRP [NH3+]CCc1cn(-c2ncc(F)c(-c3ccsc3)n2)c2cc[nH+]cc12 ZINC001160951527 1382249503 /nfs/dbraw/zinc/24/95/03/1382249503.db2.gz FVWORNIHQPFRIQ-UHFFFAOYSA-N 2 0 339.399 3.184 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](CCC(C)C)CC2)C1 ZINC001160985817 1382261877 /nfs/dbraw/zinc/26/18/77/1382261877.db2.gz KHJWCPIKTYYEFT-FQEVSTJZSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161030363 1382278142 /nfs/dbraw/zinc/27/81/42/1382278142.db2.gz ZVNPEZDUXMMIIS-VOTSOKGWSA-N 2 0 335.536 3.213 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001161041632 1382280282 /nfs/dbraw/zinc/28/02/82/1382280282.db2.gz KRVAHNHCXIZAON-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP Oc1ccc(C[NH+]2CCC(Nc3cc(-n4ccnc4)cc[nH+]3)CC2)cc1 ZINC001161137858 1382315641 /nfs/dbraw/zinc/31/56/41/1382315641.db2.gz YTNPVDJRYWAKBC-UHFFFAOYSA-N 2 0 349.438 3.049 20 0 EGADRP Cc1cnc(NCC2CC[NH+](Cc3ccccc3F)CC2)c(C[NH3+])c1 ZINC001161193858 1382336496 /nfs/dbraw/zinc/33/64/96/1382336496.db2.gz GWIPWSXOARFALV-UHFFFAOYSA-N 2 0 342.462 3.312 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001161226796 1382348992 /nfs/dbraw/zinc/34/89/92/1382348992.db2.gz OWYPBIIJALUOOJ-SFHVURJKSA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1)[NH+](C)C ZINC001161239796 1382351920 /nfs/dbraw/zinc/35/19/20/1382351920.db2.gz ONFNFROERQJTRN-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001161245782 1382353456 /nfs/dbraw/zinc/35/34/56/1382353456.db2.gz RWWHQZHMGTXZPJ-CQSZACIVSA-N 2 0 339.911 3.227 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N(C(C)C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001161353341 1382380024 /nfs/dbraw/zinc/38/00/24/1382380024.db2.gz OEDOVSXRLRFAPC-VQTJNVASSA-N 2 0 345.531 3.449 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](Cc2csc(C)c2)CC1 ZINC001161504826 1382425676 /nfs/dbraw/zinc/42/56/76/1382425676.db2.gz TUGFEONYYFMKGO-UHFFFAOYSA-N 2 0 349.544 3.037 20 0 EGADRP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCCC1 ZINC001328594158 1388785904 /nfs/dbraw/zinc/78/59/04/1388785904.db2.gz RYRMVHUJLWOSSR-SFHVURJKSA-N 2 0 347.528 3.082 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001161645980 1382469499 /nfs/dbraw/zinc/46/94/99/1382469499.db2.gz XJPVMKSUKIJWER-SFHVURJKSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161758494 1382496789 /nfs/dbraw/zinc/49/67/89/1382496789.db2.gz CGNFNLJDSKGDSY-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001328588842 1388784393 /nfs/dbraw/zinc/78/43/93/1388784393.db2.gz MIZUAVIWAHQNEU-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001161789762 1382507016 /nfs/dbraw/zinc/50/70/16/1382507016.db2.gz YPOMSDJQDVPCBO-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CN(C)c1cccc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)[nH+]1 ZINC001161821602 1382520158 /nfs/dbraw/zinc/52/01/58/1382520158.db2.gz ZUJRDLGDAMMMDU-IBGZPJMESA-N 2 0 328.435 3.440 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161894152 1382542940 /nfs/dbraw/zinc/54/29/40/1382542940.db2.gz YNIRIMMLSMBJOQ-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(NCc2ccc3c(c2)CC[NH2+]C3)n1 ZINC001162801718 1382876957 /nfs/dbraw/zinc/87/69/57/1382876957.db2.gz FMTMPGCSJBRBKC-UHFFFAOYSA-N 2 0 336.483 3.325 20 0 EGADRP Cc1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c(C[NH+](C)C)c1 ZINC001162966405 1382930493 /nfs/dbraw/zinc/93/04/93/1382930493.db2.gz HCZKKUUECPPHJI-GOSISDBHSA-N 2 0 331.504 3.017 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163231335 1383000940 /nfs/dbraw/zinc/00/09/40/1383000940.db2.gz CJZREVQQVOHFFS-HXUWFJFHSA-N 2 0 349.563 3.317 20 0 EGADRP COc1ccc2[nH+]c(C)cc(N[C@H]3C[NH2+]Cc4ccsc43)c2c1 ZINC001163231233 1383001435 /nfs/dbraw/zinc/00/14/35/1383001435.db2.gz WFRLTWKJDBYMAE-KRWDZBQOSA-N 2 0 325.437 3.292 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1 ZINC001163241932 1383003632 /nfs/dbraw/zinc/00/36/32/1383003632.db2.gz FMBACYUSISQKOR-PXNSSMCTSA-N 2 0 343.515 3.026 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001163249160 1383004841 /nfs/dbraw/zinc/00/48/41/1383004841.db2.gz XACCFYYBIYEHBL-SFHVURJKSA-N 2 0 345.531 3.356 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1F ZINC001163289893 1383013337 /nfs/dbraw/zinc/01/33/37/1383013337.db2.gz GNCXJXRCVDBKQY-JXFKEZNVSA-N 2 0 349.494 3.238 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500969 1383193936 /nfs/dbraw/zinc/19/39/36/1383193936.db2.gz MGOLNWXWKFQRJX-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531955 1383196993 /nfs/dbraw/zinc/19/69/93/1383196993.db2.gz YAMXUYSGIBTHRG-DUFJLWIISA-N 2 0 347.547 3.093 20 0 EGADRP Cc1cnc(N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c(C[NH3+])c1 ZINC001165182051 1383243137 /nfs/dbraw/zinc/24/31/37/1383243137.db2.gz LLBNSTHXXIYLCG-XLIONFOSSA-N 2 0 338.499 3.196 20 0 EGADRP C[NH+](C)C[C@]12C[C@H]1CN(c1[nH+]c(N3CCCC3)cc3ccccc31)C2 ZINC001165183999 1383243588 /nfs/dbraw/zinc/24/35/88/1383243588.db2.gz WZGGFKPYGFOMAN-UWJYYQICSA-N 2 0 336.483 3.223 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1ccc(O[C@H]2CC[NH2+]C2)c(F)c1 ZINC001165213731 1383250308 /nfs/dbraw/zinc/25/03/08/1383250308.db2.gz YRCBTMVOVASAOJ-INIZCTEOSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001165246972 1383257802 /nfs/dbraw/zinc/25/78/02/1383257802.db2.gz XLEXHAVRIUPNFV-UHFFFAOYSA-N 2 0 349.519 3.267 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001165261566 1383260766 /nfs/dbraw/zinc/26/07/66/1383260766.db2.gz AVMJYRASYUDVMX-QGZVFWFLSA-N 2 0 345.531 3.309 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165471858 1383299911 /nfs/dbraw/zinc/29/99/11/1383299911.db2.gz BYQUYSPCSJKPLM-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165472041 1383299967 /nfs/dbraw/zinc/29/99/67/1383299967.db2.gz FANFNLBYVUSCNN-CTWPCTMYSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485377 1383301551 /nfs/dbraw/zinc/30/15/51/1383301551.db2.gz TYGVDQJHLGCGEZ-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485175 1383301893 /nfs/dbraw/zinc/30/18/93/1383301893.db2.gz OCOLAMPEAMOVMY-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001297963736 1383311151 /nfs/dbraw/zinc/31/11/51/1383311151.db2.gz VXWIFIBNGMQZIB-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165569271 1383311403 /nfs/dbraw/zinc/31/14/03/1383311403.db2.gz UWIYYBUCAHSSFM-VOFKWLDRSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)(C)N(c1cc2[nH]ccc2c[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165672979 1383322866 /nfs/dbraw/zinc/32/28/66/1383322866.db2.gz YMOATQAIAMVZTR-HNNXBMFYSA-N 2 0 328.460 3.079 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165735549 1383334987 /nfs/dbraw/zinc/33/49/87/1383334987.db2.gz CPAQADDGAVMQKS-MSOLQXFVSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165912389 1383363473 /nfs/dbraw/zinc/36/34/73/1383363473.db2.gz QUKFQFPVWFXXHD-HNNXBMFYSA-N 2 0 342.487 3.179 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165992375 1383374608 /nfs/dbraw/zinc/37/46/08/1383374608.db2.gz ATNLQXSBXFFBKK-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1ccnc1CC[NH3+] ZINC001166383921 1383417877 /nfs/dbraw/zinc/41/78/77/1383417877.db2.gz SONWACWSDAMURB-UHFFFAOYSA-N 2 0 340.393 3.234 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001166390900 1383418232 /nfs/dbraw/zinc/41/82/32/1383418232.db2.gz QKPFUPMIUMBYBU-UHFFFAOYSA-N 2 0 349.563 3.483 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)CC(C)(C)C ZINC001166750325 1383471272 /nfs/dbraw/zinc/47/12/72/1383471272.db2.gz CUAGJRQXHIYVJL-LJQANCHMSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001166751433 1383471394 /nfs/dbraw/zinc/47/13/94/1383471394.db2.gz RHPPYMZIRJASDY-MSOLQXFVSA-N 2 0 339.568 3.277 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001166751436 1383471581 /nfs/dbraw/zinc/47/15/81/1383471581.db2.gz RHPPYMZIRJASDY-ROUUACIJSA-N 2 0 339.568 3.277 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]C[C@@H](C)CC)CC2)C1 ZINC001166793257 1383478138 /nfs/dbraw/zinc/47/81/38/1383478138.db2.gz HDIFYWJVLAYWAN-ROUUACIJSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328782126 1388859879 /nfs/dbraw/zinc/85/98/79/1388859879.db2.gz WYHPOJIKDFGUIQ-XLIONFOSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001167145273 1383551751 /nfs/dbraw/zinc/55/17/51/1383551751.db2.gz ASXQSKJKBWBKDM-IBGZPJMESA-N 2 0 331.504 3.376 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001167179827 1383559525 /nfs/dbraw/zinc/55/95/25/1383559525.db2.gz SLJOUHWZRYAJFW-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001167251389 1383575240 /nfs/dbraw/zinc/57/52/40/1383575240.db2.gz SVMBTUSTGFPOCQ-QAPCUYQASA-N 2 0 349.494 3.103 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466202 1383640707 /nfs/dbraw/zinc/64/07/07/1383640707.db2.gz GLPHHPZXJHIBQU-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167480645 1383646332 /nfs/dbraw/zinc/64/63/32/1383646332.db2.gz OULMMZVTYHIJMV-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001167480587 1383646687 /nfs/dbraw/zinc/64/66/87/1383646687.db2.gz MHYBPMBETFMAJC-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C(C)(C)CC)CC1)c1ccccc1 ZINC001300140361 1383648088 /nfs/dbraw/zinc/64/80/88/1383648088.db2.gz FCSLQBDMNASSEJ-IBGZPJMESA-N 2 0 345.531 3.402 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC2(C[NH2+]CCC(C)(C)C)CC2)CC1 ZINC001167523132 1383658310 /nfs/dbraw/zinc/65/83/10/1383658310.db2.gz NJSPEQKAJRTIBR-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001167610683 1383689127 /nfs/dbraw/zinc/68/91/27/1383689127.db2.gz WAONUTBSSRMVFP-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167610725 1383689133 /nfs/dbraw/zinc/68/91/33/1383689133.db2.gz WQBIQQNVMDVHOU-MSOLQXFVSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCCCC1 ZINC001167620767 1383690388 /nfs/dbraw/zinc/69/03/88/1383690388.db2.gz SKKZFLNJBKKBMH-ZWKOTPCHSA-N 2 0 331.504 3.108 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCn3c(C)cnc32)CC1 ZINC001167826451 1383750521 /nfs/dbraw/zinc/75/05/21/1383750521.db2.gz YLHZOJBYQRQGKC-QGZVFWFLSA-N 2 0 332.536 3.439 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001167833552 1383752942 /nfs/dbraw/zinc/75/29/42/1383752942.db2.gz CGGJFHJNTADTJX-UYAOXDASSA-N 2 0 334.504 3.277 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1ccnc(OC)c1)C1CC[NH2+]CC1 ZINC001167834738 1383753324 /nfs/dbraw/zinc/75/33/24/1383753324.db2.gz MPFJVCLMRZSHEZ-QGZVFWFLSA-N 2 0 348.535 3.159 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001167833979 1383753388 /nfs/dbraw/zinc/75/33/88/1383753388.db2.gz GWZYESYWTGSMNO-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001167833335 1383753510 /nfs/dbraw/zinc/75/35/10/1383753510.db2.gz AMAXMNLFSLYHQS-GBESFXJTSA-N 2 0 327.532 3.395 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167840112 1383755653 /nfs/dbraw/zinc/75/56/53/1383755653.db2.gz DUVCSNDNKNKEHU-YESZJQIVSA-N 2 0 339.524 3.048 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(F)c(C(F)(F)C(F)(F)F)c1 ZINC001167883606 1383765489 /nfs/dbraw/zinc/76/54/89/1383765489.db2.gz JRBBMUOETNKLHG-UHFFFAOYSA-N 2 0 342.287 3.155 20 0 EGADRP COC(=O)c1ccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001167918990 1383769798 /nfs/dbraw/zinc/76/97/98/1383769798.db2.gz PSVVNMZIUCDSDT-JSYLVRCQSA-N 2 0 342.483 3.344 20 0 EGADRP CC(C)(C)N1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916583 1383773059 /nfs/dbraw/zinc/77/30/59/1383773059.db2.gz PDPMCIODLYVSBC-SFHVURJKSA-N 2 0 329.488 3.484 20 0 EGADRP Oc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167970964 1383782697 /nfs/dbraw/zinc/78/26/97/1383782697.db2.gz QZJSSJKXEJRXFH-UMQXSMKFSA-N 2 0 326.484 3.245 20 0 EGADRP CC(C)(C)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167972905 1383782703 /nfs/dbraw/zinc/78/27/03/1383782703.db2.gz DVHOMFWLBSVMOM-YQQQUEKLSA-N 2 0 347.547 3.019 20 0 EGADRP O[C@H]1c2ccccc2CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969048 1383782842 /nfs/dbraw/zinc/78/28/42/1383782842.db2.gz YUDPVSCBIWNJRM-XCZPKYGJSA-N 2 0 326.484 3.030 20 0 EGADRP [NH3+]C1(c2ccccc2)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167979209 1383785312 /nfs/dbraw/zinc/78/53/12/1383785312.db2.gz XYNNZGKQDTWMCT-WCRBZPEASA-N 2 0 339.527 3.342 20 0 EGADRP c1cc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)ccn1 ZINC001167983325 1383786798 /nfs/dbraw/zinc/78/67/98/1383786798.db2.gz FWEUUOMENDVOGR-DFNIBXOVSA-N 2 0 341.499 3.330 20 0 EGADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC3CCCC3)CC1)C2 ZINC001167995897 1383791824 /nfs/dbraw/zinc/79/18/24/1383791824.db2.gz UYGLJETUOQZNBT-WCRBZPEASA-N 2 0 331.548 3.200 20 0 EGADRP CSCC[C@@H](CO)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012180 1383796472 /nfs/dbraw/zinc/79/64/72/1383796472.db2.gz XNSVBVADGDVFOC-BQFCYCMXSA-N 2 0 336.545 3.132 20 0 EGADRP C[C@@H]1CC([NH2+]CCC(=O)NC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024208 1383799049 /nfs/dbraw/zinc/79/90/49/1383799049.db2.gz CJKACDXZHNXTBW-IAGOWNOFSA-N 2 0 345.531 3.322 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030082 1383800378 /nfs/dbraw/zinc/80/03/78/1383800378.db2.gz MOUIJPCYJNNEPU-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@H]1CC([NH2+]CCOc2ccncc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034995 1383800991 /nfs/dbraw/zinc/80/09/91/1383800991.db2.gz RZUUHQMEDAZSKI-ROUUACIJSA-N 2 0 339.483 3.492 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168055849 1383805126 /nfs/dbraw/zinc/80/51/26/1383805126.db2.gz YCJXRRJFDCELOT-YHELAOLJSA-N 2 0 329.532 3.454 20 0 EGADRP CCOC(=O)[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168061556 1383806648 /nfs/dbraw/zinc/80/66/48/1383806648.db2.gz IRRRZGSTSZRXQI-ZHALLVOQSA-N 2 0 344.499 3.313 20 0 EGADRP C[NH+](C)Cc1ccc(CSCC[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC001168290243 1383864258 /nfs/dbraw/zinc/86/42/58/1383864258.db2.gz GOLBVMKKLXJQJC-UHFFFAOYSA-N 3 0 339.549 3.037 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168291304 1383865229 /nfs/dbraw/zinc/86/52/29/1383865229.db2.gz VHZBLLNIMGPJKP-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001168298541 1383866778 /nfs/dbraw/zinc/86/67/78/1383866778.db2.gz ZZYMNAJKELVDRI-SEEARECTSA-N 2 0 331.287 3.489 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168302608 1383867394 /nfs/dbraw/zinc/86/73/94/1383867394.db2.gz XLFQNGFUQKKGBH-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 ZINC001168299778 1383867503 /nfs/dbraw/zinc/86/75/03/1383867503.db2.gz NFJNHPWYPJKNOT-UHFFFAOYSA-N 2 0 339.524 3.286 20 0 EGADRP CCOC[C@@H]1COCCC12CC[NH+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168322719 1383872612 /nfs/dbraw/zinc/87/26/12/1383872612.db2.gz FVIIPMJRBRZMSF-LMDPOFIKSA-N 2 0 338.536 3.014 20 0 EGADRP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324622 1383873045 /nfs/dbraw/zinc/87/30/45/1383873045.db2.gz RSPZMZKCDHLSPQ-GTPINHCMSA-N 2 0 339.524 3.191 20 0 EGADRP CC[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001168324520 1383873480 /nfs/dbraw/zinc/87/34/80/1383873480.db2.gz QJUWUNZLCPQYMW-GTPINHCMSA-N 2 0 339.524 3.191 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCN(C3(c4ccccc4)CC3)CC2)CC1 ZINC001168328285 1383873987 /nfs/dbraw/zinc/87/39/87/1383873987.db2.gz DDKSVANOZDFLMH-UHFFFAOYSA-N 2 0 327.516 3.166 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001168344513 1383878927 /nfs/dbraw/zinc/87/89/27/1383878927.db2.gz DEQIJFVQUCNOTC-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)(C)OC(=O)C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001168370651 1383886254 /nfs/dbraw/zinc/88/62/54/1383886254.db2.gz DCANICPKNACICK-UHFFFAOYSA-N 2 0 336.520 3.353 20 0 EGADRP C(C1CC1)[N@@H+]1CCCC12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377787 1383888916 /nfs/dbraw/zinc/88/89/16/1383888916.db2.gz HUJGYPSHZUZJRE-UHFFFAOYSA-N 2 0 331.548 3.201 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]3CN(C4CC[NH+](CC5CC5)CC4)C[C@@H]32)cc1 ZINC001168391698 1383894131 /nfs/dbraw/zinc/89/41/31/1383894131.db2.gz NOEIMDZNPMUEFC-UNMCSNQZSA-N 2 0 339.527 3.067 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]CCC[NH+]3CCCCC3)CCO2)cc1 ZINC001168602118 1383946606 /nfs/dbraw/zinc/94/66/06/1383946606.db2.gz RFIBWVBPMPSWAC-QUCCMNQESA-N 2 0 332.488 3.381 20 0 EGADRP CC[N@H+](C)C1CC[NH+]([C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168673501 1383966439 /nfs/dbraw/zinc/96/64/39/1383966439.db2.gz RPUACICXIIZLMV-QUCCMNQESA-N 2 0 332.488 3.331 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168810458 1384014941 /nfs/dbraw/zinc/01/49/41/1384014941.db2.gz GSIROLYUHPUEIM-YESZJQIVSA-N 2 0 341.540 3.484 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1cncc(C(F)(F)F)c1)C2 ZINC001169077919 1384103627 /nfs/dbraw/zinc/10/36/27/1384103627.db2.gz BQQFLHODWBPNAI-MUJYYYPQSA-N 2 0 327.394 3.248 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001169077349 1384103673 /nfs/dbraw/zinc/10/36/73/1384103673.db2.gz FRTNFQRVSZHOIO-JOCHJYFZSA-N 2 0 343.559 3.356 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169081265 1384104060 /nfs/dbraw/zinc/10/40/60/1384104060.db2.gz PMZLEKCRXAWYCV-NNXHMXCWSA-N 2 0 337.508 3.037 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001169091180 1384105412 /nfs/dbraw/zinc/10/54/12/1384105412.db2.gz OXUBBIYHNBLJFJ-MLZLACJZSA-N 2 0 327.516 3.254 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099549 1384106699 /nfs/dbraw/zinc/10/66/99/1384106699.db2.gz BCTCMUKIAARBJO-MUJYYYPQSA-N 2 0 327.472 3.257 20 0 EGADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC001169117295 1384109254 /nfs/dbraw/zinc/10/92/54/1384109254.db2.gz XTTMXAXHTDXICE-BMFAXAFESA-N 2 0 328.456 3.065 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3F)CCOCC1)C2 ZINC001169120184 1384109741 /nfs/dbraw/zinc/10/97/41/1384109741.db2.gz ZFAIUJZUVWTAFI-NNZMDNLPSA-N 2 0 332.463 3.132 20 0 EGADRP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123016 1384110158 /nfs/dbraw/zinc/11/01/58/1384110158.db2.gz HJAXLDCLTDVGNX-LUKYLMHMSA-N 2 0 339.524 3.141 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122926 1384110526 /nfs/dbraw/zinc/11/05/26/1384110526.db2.gz GGOWZQSDIQEKJP-LELZANKISA-N 2 0 327.516 3.112 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131705 1384111174 /nfs/dbraw/zinc/11/11/74/1384111174.db2.gz XWWCLRASCDHDOI-FVQHAEBGSA-N 2 0 349.519 3.087 20 0 EGADRP CC[C@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC001308231187 1384111377 /nfs/dbraw/zinc/11/13/77/1384111377.db2.gz SQTHZPVTXRSIKY-GOSISDBHSA-N 2 0 338.499 3.117 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001169127338 1384111418 /nfs/dbraw/zinc/11/14/18/1384111418.db2.gz MCSGMPFBAPKPBX-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP CC1(C)C[C@H](Nc2cc(O[C@@H]3CCOC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169145741 1384114455 /nfs/dbraw/zinc/11/44/55/1384114455.db2.gz HAJDXIQMFODETN-GMBSWORKSA-N 2 0 333.476 3.205 20 0 EGADRP CC1(C)C[C@H](Nc2cc(O[C@@H]3CCOC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169145745 1384114555 /nfs/dbraw/zinc/11/45/55/1384114555.db2.gz HAJDXIQMFODETN-ZSZQSSIHSA-N 2 0 333.476 3.205 20 0 EGADRP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155129 1384116336 /nfs/dbraw/zinc/11/63/36/1384116336.db2.gz YIIKUPJAXMWIBL-MHTWAQMVSA-N 2 0 327.516 3.208 20 0 EGADRP c1ncn(-c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)n1 ZINC001308294627 1384116894 /nfs/dbraw/zinc/11/68/94/1384116894.db2.gz BFPOHBMBHLGMKF-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169162031 1384117370 /nfs/dbraw/zinc/11/73/70/1384117370.db2.gz RRNDZLUFVLLOAI-RDGPPVDQSA-N 2 0 328.456 3.235 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc(N(C)C)s3)CC2)CC1 ZINC001308341446 1384120666 /nfs/dbraw/zinc/12/06/66/1384120666.db2.gz GZXHFTUEHYHZJX-UHFFFAOYSA-N 2 0 336.549 3.342 20 0 EGADRP CC[NH+]1CCC(N[C@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001169242178 1384126603 /nfs/dbraw/zinc/12/66/03/1384126603.db2.gz YDHJLSYXAWZPLW-UQTNFYOXSA-N 2 0 333.564 3.207 20 0 EGADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001308684236 1384142361 /nfs/dbraw/zinc/14/23/61/1384142361.db2.gz QUZBDYRWINLOJK-SJORKVTESA-N 2 0 347.503 3.266 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2[nH]ccc2c1 ZINC001308739776 1384146050 /nfs/dbraw/zinc/14/60/50/1384146050.db2.gz FDDLZEIKARZEOG-LJQANCHMSA-N 2 0 328.504 3.016 20 0 EGADRP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC001169737556 1384180360 /nfs/dbraw/zinc/18/03/60/1384180360.db2.gz VJIWSZUPBQRHCO-HXUWFJFHSA-N 2 0 343.515 3.147 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808738 1384187816 /nfs/dbraw/zinc/18/78/16/1384187816.db2.gz DLBCNIACSXGYCX-PKOBYXMFSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169949036 1384202588 /nfs/dbraw/zinc/20/25/88/1384202588.db2.gz ZIANLJFSOXQVFR-GOSISDBHSA-N 2 0 345.531 3.272 20 0 EGADRP CCCC[NH+]1CCC(C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169982802 1384210421 /nfs/dbraw/zinc/21/04/21/1384210421.db2.gz UAQCDEPXPNERRM-UHFFFAOYSA-N 2 0 325.541 3.499 20 0 EGADRP CC1(C)CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC(C)(C)N1O ZINC001169982609 1384210562 /nfs/dbraw/zinc/21/05/62/1384210562.db2.gz PBFFKCIOEFPIEO-UHFFFAOYSA-N 2 0 332.492 3.051 20 0 EGADRP CC1(C)CC([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC(C)(C)N1O ZINC001169987180 1384211793 /nfs/dbraw/zinc/21/17/93/1384211793.db2.gz JOIDPUVOFCATMM-UHFFFAOYSA-N 2 0 331.504 3.347 20 0 EGADRP CC[C@H]1C[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CCO1 ZINC001170221407 1384268773 /nfs/dbraw/zinc/26/87/73/1384268773.db2.gz ORTKGFQVIBGKJU-UXHICEINSA-N 2 0 343.515 3.327 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H](CC)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001170456048 1384324382 /nfs/dbraw/zinc/32/43/82/1384324382.db2.gz NHICOGJUWCYFFN-KZNAEPCWSA-N 2 0 330.472 3.010 20 0 EGADRP Cc1ncc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc1C ZINC001170527812 1384336076 /nfs/dbraw/zinc/33/60/76/1384336076.db2.gz AEJSMUVGDAKXSI-UHFFFAOYSA-N 2 0 349.482 3.003 20 0 EGADRP CCCCCC[C@@H](CC)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001170590786 1384346942 /nfs/dbraw/zinc/34/69/42/1384346942.db2.gz OYYWZQVCRMZCIS-KZNAEPCWSA-N 2 0 325.541 3.314 20 0 EGADRP COc1ccc(CC2([NH3+])CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170741044 1384376370 /nfs/dbraw/zinc/37/63/70/1384376370.db2.gz XHIGNLJDZXQPKB-LUPIEILUSA-N 2 0 328.500 3.466 20 0 EGADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4[C@H](CCN4Cc4nccs4)C3)C[C@@H]21 ZINC001170752066 1384379074 /nfs/dbraw/zinc/37/90/74/1384379074.db2.gz UDBMTMTVYNPPOS-OVYGPGRDSA-N 2 0 331.529 3.474 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001170784559 1384384462 /nfs/dbraw/zinc/38/44/62/1384384462.db2.gz ICUXYAPVUDRKKG-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCOCC1 ZINC001170800342 1384388400 /nfs/dbraw/zinc/38/84/00/1384388400.db2.gz ZFAFZBAGBFGCOJ-GUDVDZBRSA-N 2 0 332.488 3.336 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820057 1384391513 /nfs/dbraw/zinc/39/15/13/1384391513.db2.gz WGAAEDORODQPEK-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170819710 1384391666 /nfs/dbraw/zinc/39/16/66/1384391666.db2.gz OGTZDLXWNNLJHG-CQQBXOTJSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170821163 1384392202 /nfs/dbraw/zinc/39/22/02/1384392202.db2.gz ZVUGOGXIRGTMEY-QFBILLFUSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861909 1384400828 /nfs/dbraw/zinc/40/08/28/1384400828.db2.gz IASZSKFKSCKRJI-ZHALLVOQSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001170876141 1384403185 /nfs/dbraw/zinc/40/31/85/1384403185.db2.gz CYUNMLMMTXRWFL-UHFFFAOYSA-N 2 0 347.547 3.493 20 0 EGADRP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001171024130 1384432004 /nfs/dbraw/zinc/43/20/04/1384432004.db2.gz ANUKLHFPJWHGAO-KZNAEPCWSA-N 2 0 348.918 3.430 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171033235 1384433166 /nfs/dbraw/zinc/43/31/66/1384433166.db2.gz LPSSWTYFIUJLJZ-GOSISDBHSA-N 2 0 349.950 3.157 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171069251 1384440404 /nfs/dbraw/zinc/44/04/04/1384440404.db2.gz MSIODVUJZFGTPQ-CQSZACIVSA-N 2 0 325.522 3.098 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001171160616 1384457637 /nfs/dbraw/zinc/45/76/37/1384457637.db2.gz HLZOTMXUMJLNOC-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238594 1384476485 /nfs/dbraw/zinc/47/64/85/1384476485.db2.gz WIXDYDBZPBIFNH-MRXNPFEDSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235647 1384476757 /nfs/dbraw/zinc/47/67/57/1384476757.db2.gz IEJVPZQQNLPLQU-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171238894 1384477000 /nfs/dbraw/zinc/47/70/00/1384477000.db2.gz ZBYSRTODFRQSIO-OALUTQOASA-N 2 0 339.568 3.275 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254811 1384479932 /nfs/dbraw/zinc/47/99/32/1384479932.db2.gz UNYGDMKBYMPHPC-MJRGOJFPSA-N 2 0 337.552 3.482 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260507 1384481132 /nfs/dbraw/zinc/48/11/32/1384481132.db2.gz JQOKXBLYYCYPPS-KRWDZBQOSA-N 2 0 325.541 3.316 20 0 EGADRP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CC13CC[NH+](CC1)CC3)CC2 ZINC001171297341 1384487977 /nfs/dbraw/zinc/48/79/77/1384487977.db2.gz FHVKFLIJTOESTG-AWEZNQCLSA-N 2 0 334.891 3.281 20 0 EGADRP COc1ccc(Cl)c2c1C[C@H]([N@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC001171324459 1384495173 /nfs/dbraw/zinc/49/51/73/1384495173.db2.gz YVWYVPGHRKJKAZ-OAHLLOKOSA-N 2 0 336.907 3.480 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)CC2)cc[nH+]1 ZINC001171383251 1384508252 /nfs/dbraw/zinc/50/82/52/1384508252.db2.gz QLQIPBVCCKCGBK-QGZVFWFLSA-N 2 0 343.421 3.348 20 0 EGADRP C[NH+](C)CC1CC[NH+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171540817 1384557105 /nfs/dbraw/zinc/55/71/05/1384557105.db2.gz BKSPQMLRWRKDQI-AWEZNQCLSA-N 2 0 326.406 3.235 20 0 EGADRP Cc1cccc2c1CC[C@@H](N(CCC[NH+](C)C)CCC[NH+](C)C)C2 ZINC001171570845 1384566832 /nfs/dbraw/zinc/56/68/32/1384566832.db2.gz PAFFVTJEFXRXLP-HXUWFJFHSA-N 2 0 331.548 3.058 20 0 EGADRP Cc1cccc2c1CC[C@H](N(CCC[NH+](C)C)CCC[NH+](C)C)C2 ZINC001171570844 1384567450 /nfs/dbraw/zinc/56/74/50/1384567450.db2.gz PAFFVTJEFXRXLP-FQEVSTJZSA-N 2 0 331.548 3.058 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C)c1 ZINC001171578775 1384570664 /nfs/dbraw/zinc/57/06/64/1384570664.db2.gz IGTDLAUSDDHCNM-GOSISDBHSA-N 2 0 333.520 3.192 20 0 EGADRP C[NH+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171580231 1384571193 /nfs/dbraw/zinc/57/11/93/1384571193.db2.gz UBNNJRQYSIMBNK-HOTGVXAUSA-N 2 0 341.540 3.342 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586261 1384572421 /nfs/dbraw/zinc/57/24/21/1384572421.db2.gz KMROLQQZQMHZTN-FVNWOWOISA-N 2 0 325.541 3.338 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001171586326 1384572523 /nfs/dbraw/zinc/57/25/23/1384572523.db2.gz LRMGIEBGVZNXIU-GOSISDBHSA-N 2 0 347.547 3.490 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC2(c3ccccn3)CCOCC2)CC1(C)C ZINC001171627409 1384584930 /nfs/dbraw/zinc/58/49/30/1384584930.db2.gz SDGWYSCCCUFSLD-UHFFFAOYSA-N 2 0 345.531 3.371 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669224 1384596815 /nfs/dbraw/zinc/59/68/15/1384596815.db2.gz TVAYNFASWGUCPK-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683218 1384601181 /nfs/dbraw/zinc/60/11/81/1384601181.db2.gz CBSQOMAQENRPTH-INIZCTEOSA-N 2 0 348.466 3.352 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683713 1384602029 /nfs/dbraw/zinc/60/20/29/1384602029.db2.gz PULMHMZRZYDAFG-MRXNPFEDSA-N 2 0 342.487 3.403 20 0 EGADRP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC001171731395 1384617463 /nfs/dbraw/zinc/61/74/63/1384617463.db2.gz AINPHKQRZLKPOK-LELZANKISA-N 2 0 327.516 3.254 20 0 EGADRP C[C@@H]1C[C@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732727 1384617943 /nfs/dbraw/zinc/61/79/43/1384617943.db2.gz DHZGCIVBMDHYFB-APWZRJJASA-N 3 0 334.467 3.373 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC001171732456 1384618283 /nfs/dbraw/zinc/61/82/83/1384618283.db2.gz AMNKMVANACGVQO-NQIIRXRSSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC001171732435 1384618612 /nfs/dbraw/zinc/61/86/12/1384618612.db2.gz AINPHKQRZLKPOK-RKFFNLMFSA-N 2 0 327.516 3.254 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001171763186 1384628984 /nfs/dbraw/zinc/62/89/84/1384628984.db2.gz UWBFRYYPISISMU-KRWDZBQOSA-N 2 0 333.520 3.309 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001171770044 1384630707 /nfs/dbraw/zinc/63/07/07/1384630707.db2.gz KWUAPNXRTRUQQF-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2Cc3cccc(F)c3C2)cc1 ZINC001171772246 1384631574 /nfs/dbraw/zinc/63/15/74/1384631574.db2.gz BOFRKZLDKUFCIY-QGZVFWFLSA-N 2 0 328.431 3.023 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788586 1384637753 /nfs/dbraw/zinc/63/77/53/1384637753.db2.gz SAKISWHZPBWVNS-FHWLQOOXSA-N 2 0 339.458 3.460 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316878808 1384663983 /nfs/dbraw/zinc/66/39/83/1384663983.db2.gz JBESDAZIOUKFCG-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(c1ccccc1)N1CCC[C@H]([NH2+]CCCC[NH+]2CCCC2)CC1 ZINC001171865671 1384665510 /nfs/dbraw/zinc/66/55/10/1384665510.db2.gz FHASDTXMFLHBAB-FQEVSTJZSA-N 2 0 343.515 3.147 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001316880971 1384666148 /nfs/dbraw/zinc/66/61/48/1384666148.db2.gz OVSRERGAALQZHQ-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171917602 1384680821 /nfs/dbraw/zinc/68/08/21/1384680821.db2.gz ASOFYFSEIQJLMS-QGZVFWFLSA-N 2 0 325.541 3.314 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931006 1384687159 /nfs/dbraw/zinc/68/71/59/1384687159.db2.gz REFVHEMUSCSWOX-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CC1(C)C[C@@H](N2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977482 1384701955 /nfs/dbraw/zinc/70/19/55/1384701955.db2.gz RPXWFMHEZLHNPU-FQEVSTJZSA-N 2 0 327.516 3.210 20 0 EGADRP CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171985858 1384703179 /nfs/dbraw/zinc/70/31/79/1384703179.db2.gz CKRABAWVDXKMTQ-NJYVYQBISA-N 2 0 341.543 3.456 20 0 EGADRP Cc1nc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)no1 ZINC001172060492 1384713660 /nfs/dbraw/zinc/71/36/60/1384713660.db2.gz ARWPKZVFOARHCI-REPLKXPHSA-N 2 0 340.471 3.096 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172060910 1384713740 /nfs/dbraw/zinc/71/37/40/1384713740.db2.gz DLYSKDMMCNQGEJ-MZADTFQBSA-N 2 0 338.499 3.367 20 0 EGADRP c1nnc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001172070646 1384717622 /nfs/dbraw/zinc/71/76/22/1384717622.db2.gz QVMREOLOWVRLFU-BCDXTJNWSA-N 2 0 342.512 3.256 20 0 EGADRP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001172077152 1384720069 /nfs/dbraw/zinc/72/00/69/1384720069.db2.gz BADQCCLHDFQCDL-NNXHMXCWSA-N 2 0 337.508 3.167 20 0 EGADRP C[NH+](C)CCC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172089920 1384724938 /nfs/dbraw/zinc/72/49/38/1384724938.db2.gz KRJRNEJPUKQYKE-FVQHAEBGSA-N 2 0 339.524 3.191 20 0 EGADRP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C)([NH3+])CC1)C2 ZINC001172093326 1384726339 /nfs/dbraw/zinc/72/63/39/1384726339.db2.gz GZOHEFDCXMBSLA-MUJYYYPQSA-N 2 0 337.508 3.120 20 0 EGADRP Cc1[nH]c(=O)c(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2c1CCCC2 ZINC001172104214 1384726756 /nfs/dbraw/zinc/72/67/56/1384726756.db2.gz ASNHJXZIYJJIHW-PHZGNYQRSA-N 2 0 329.488 3.079 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1cccc3cccnc31)C2 ZINC001172105780 1384728772 /nfs/dbraw/zinc/72/87/72/1384728772.db2.gz KJXVTGUDEYGCFQ-NNZMDNLPSA-N 2 0 325.456 3.219 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3ccccc3F)CC1)C2 ZINC001172112973 1384730387 /nfs/dbraw/zinc/73/03/87/1384730387.db2.gz DEAMKTDSZPXCIQ-BJWYYQGGSA-N 2 0 331.479 3.091 20 0 EGADRP COc1cccc(N(C2CC[NH2+]CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172129160 1384737845 /nfs/dbraw/zinc/73/78/45/1384737845.db2.gz XFUJEHYFAAAFHR-OPVJXMOQSA-N 2 0 343.515 3.269 20 0 EGADRP CC(C)c1noc([C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)n1 ZINC001172129322 1384737938 /nfs/dbraw/zinc/73/79/38/1384737938.db2.gz YGTRIHZCAQKTDB-NXOAAHMSSA-N 2 0 332.492 3.388 20 0 EGADRP CC(C)c1noc([C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)n1 ZINC001172129321 1384738226 /nfs/dbraw/zinc/73/82/26/1384738226.db2.gz YGTRIHZCAQKTDB-NCOADZHNSA-N 2 0 332.492 3.388 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC001172230631 1384752803 /nfs/dbraw/zinc/75/28/03/1384752803.db2.gz FJXFXCUDNFWYDQ-VTHDOGFWSA-N 2 0 326.484 3.294 20 0 EGADRP c1ccc2c(c1)CCN(C1CC[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC1)C2 ZINC001172230706 1384752839 /nfs/dbraw/zinc/75/28/39/1384752839.db2.gz GSUGJBDBGKRYHK-SEJPIABJSA-N 2 0 326.484 3.219 20 0 EGADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172241719 1384754274 /nfs/dbraw/zinc/75/42/74/1384754274.db2.gz GNUQLHWBLWOTFT-SEJPIABJSA-N 2 0 326.484 3.316 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001172243327 1384754850 /nfs/dbraw/zinc/75/48/50/1384754850.db2.gz HEJKRUGTQNTWPP-UHFFFAOYSA-N 2 0 344.421 3.338 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172333010 1384772153 /nfs/dbraw/zinc/77/21/53/1384772153.db2.gz IZHFPSUAGWZITO-MHORFTMASA-N 2 0 326.525 3.331 20 0 EGADRP CC(C)(C(=O)NC[C@H]([NH2+]CCC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001317011590 1384775629 /nfs/dbraw/zinc/77/56/29/1384775629.db2.gz CJZCICIODNFWKA-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](CC(C)C)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001172398017 1384784128 /nfs/dbraw/zinc/78/41/28/1384784128.db2.gz MRYQTYOKYBHVPH-SFHVURJKSA-N 2 0 337.552 3.076 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172545985 1384810872 /nfs/dbraw/zinc/81/08/72/1384810872.db2.gz NYNVGNRRFFFSTQ-MOPGFXCFSA-N 2 0 344.499 3.459 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172751338 1384843457 /nfs/dbraw/zinc/84/34/57/1384843457.db2.gz JGWJRFDAAKIODS-QGZVFWFLSA-N 2 0 347.503 3.004 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172758662 1384845344 /nfs/dbraw/zinc/84/53/44/1384845344.db2.gz JCHTXIJOKUHBMU-IHPCNDPISA-N 2 0 344.499 3.171 20 0 EGADRP Cc1c[nH+]ccc1N([C@@H](C)CCC(=O)OC(C)C)C1CC[NH2+]CC1 ZINC001172769214 1384847466 /nfs/dbraw/zinc/84/74/66/1384847466.db2.gz DXKBUPOLATYRRY-INIZCTEOSA-N 2 0 333.476 3.069 20 0 EGADRP Cc1c[nH+]ccc1N([C@H](C)CCC(=O)OC(C)C)C1CC[NH2+]CC1 ZINC001172769217 1384847594 /nfs/dbraw/zinc/84/75/94/1384847594.db2.gz DXKBUPOLATYRRY-MRXNPFEDSA-N 2 0 333.476 3.069 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172799957 1384854734 /nfs/dbraw/zinc/85/47/34/1384854734.db2.gz JPQSKZMIIWPTJT-CSNJMZFVSA-N 2 0 349.519 3.014 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172809950 1384857662 /nfs/dbraw/zinc/85/76/62/1384857662.db2.gz LUGICYDKMPSFNA-IEBNGJLISA-N 2 0 349.519 3.155 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172829368 1384860013 /nfs/dbraw/zinc/86/00/13/1384860013.db2.gz AKFQSTLXCWOYAL-FGZHOGPDSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172849899 1384865594 /nfs/dbraw/zinc/86/55/94/1384865594.db2.gz QVQNUHOMNAMNCI-ZDUSSCGKSA-N 2 0 340.870 3.111 20 0 EGADRP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)C1 ZINC001172939513 1384883843 /nfs/dbraw/zinc/88/38/43/1384883843.db2.gz RDIAIEASTGEIFN-MXEMCNAFSA-N 2 0 328.500 3.316 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173041703 1384898779 /nfs/dbraw/zinc/89/87/79/1384898779.db2.gz FBOWXHOTGQYDQJ-UHFFFAOYSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173055705 1384903020 /nfs/dbraw/zinc/90/30/20/1384903020.db2.gz UMKVZAQEEMWZPK-HZPDHXFCSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2cccc(C(=O)OC)c2)CC1 ZINC001173107084 1384916004 /nfs/dbraw/zinc/91/60/04/1384916004.db2.gz GOWCOFZTTZOZCZ-UHFFFAOYSA-N 2 0 331.460 3.041 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2COc3cccc(OC)c3C2)CC1 ZINC001173107736 1384916139 /nfs/dbraw/zinc/91/61/39/1384916139.db2.gz KLHNKFRCQHEZIL-AQFXKWCLSA-N 2 0 332.488 3.241 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COC)C2)CC1 ZINC001173109457 1384916364 /nfs/dbraw/zinc/91/63/64/1384916364.db2.gz BNUGIINFKUWONV-GUMHCPJTSA-N 2 0 338.536 3.157 20 0 EGADRP CCc1ncnc2c1CC[N@H+](C1CCC([NH+](CC)CC)CC1)CC2 ZINC001173110295 1384916725 /nfs/dbraw/zinc/91/67/25/1384916725.db2.gz JJCMLMFOGGWHSH-UHFFFAOYSA-N 2 0 330.520 3.093 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC[C@@H]2COc3ccccc3O2)CC1 ZINC001173110418 1384916740 /nfs/dbraw/zinc/91/67/40/1384916740.db2.gz OBOCCKIBDHLFOE-DAWZGUTISA-N 2 0 332.488 3.459 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)CC1 ZINC001173112129 1384916993 /nfs/dbraw/zinc/91/69/93/1384916993.db2.gz QXPXEVQNIPSNKR-GRERDSQWSA-N 2 0 349.563 3.362 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC001173113282 1384917883 /nfs/dbraw/zinc/91/78/83/1384917883.db2.gz MJNBICVHEFIKAF-GZNCHQMQSA-N 2 0 346.515 3.419 20 0 EGADRP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH+]1CCN(CC[NH3+])CC1 ZINC001173204517 1384935413 /nfs/dbraw/zinc/93/54/13/1384935413.db2.gz HPYPZDLGWWJIDU-IBGZPJMESA-N 2 0 337.511 3.173 20 0 EGADRP CCN1CC[C@@H]([N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001173369153 1384965428 /nfs/dbraw/zinc/96/54/28/1384965428.db2.gz UDEKHULKEFQKNS-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP CC[N@@H+]1CC[C@@H](N([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001173368690 1384965546 /nfs/dbraw/zinc/96/55/46/1384965546.db2.gz QQXMZVWAKJKQQX-DUXKGJEZSA-N 2 0 327.516 3.238 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCN(CC(F)(F)F)CC1 ZINC001173673248 1385001279 /nfs/dbraw/zinc/00/12/79/1385001279.db2.gz JQCYGAWFFOZFNA-DLBZAZTESA-N 2 0 347.469 3.352 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001317221169 1385001730 /nfs/dbraw/zinc/00/17/30/1385001730.db2.gz YGOYLEVLMVGZQS-QHGAOEGBSA-N 2 0 345.531 3.497 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001317222655 1385003715 /nfs/dbraw/zinc/00/37/15/1385003715.db2.gz GVEXNXXAEWGFOI-KLAILNCOSA-N 2 0 349.494 3.246 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC001173716858 1385008602 /nfs/dbraw/zinc/00/86/02/1385008602.db2.gz IIUKWNMMPRYXBO-INIZCTEOSA-N 2 0 344.499 3.401 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317448347 1385148761 /nfs/dbraw/zinc/14/87/61/1385148761.db2.gz KKSBEDXGSBRHEA-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174960137 1385174903 /nfs/dbraw/zinc/17/49/03/1385174903.db2.gz FDUNCUWNIUOUHH-MSOLQXFVSA-N 2 0 333.520 3.354 20 0 EGADRP C[C@H](CCCC[NH2+]CCCc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174961111 1385174922 /nfs/dbraw/zinc/17/49/22/1385174922.db2.gz JXLYQPZFKFXOIK-LJQANCHMSA-N 2 0 347.547 3.226 20 0 EGADRP CCOc1ccc(F)c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1F ZINC001175040406 1385185048 /nfs/dbraw/zinc/18/50/48/1385185048.db2.gz YLHGHBMEGBRRFZ-UHFFFAOYSA-N 2 0 348.397 3.254 20 0 EGADRP C[C@H](CCCC[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)CC[NH+](C)C ZINC001175049743 1385186476 /nfs/dbraw/zinc/18/64/76/1385186476.db2.gz XTSWDQLTEYUSIT-BEFAXECRSA-N 2 0 349.494 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)CC[NH+](C)C ZINC001175057255 1385187435 /nfs/dbraw/zinc/18/74/35/1385187435.db2.gz YEUZGEVIURYLJH-HOTGVXAUSA-N 2 0 337.483 3.103 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001175108213 1385195910 /nfs/dbraw/zinc/19/59/10/1385195910.db2.gz RTNDALOPMDPIKJ-IEBWSBKVSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255833 1385230921 /nfs/dbraw/zinc/23/09/21/1385230921.db2.gz HKXAUGDWTAQQEN-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C)cc1 ZINC001175257292 1385232107 /nfs/dbraw/zinc/23/21/07/1385232107.db2.gz YJUCUHLWAKJIOW-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263730 1385234389 /nfs/dbraw/zinc/23/43/89/1385234389.db2.gz QUSQMLLKNVCKNY-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175265511 1385235362 /nfs/dbraw/zinc/23/53/62/1385235362.db2.gz YZHCTVNKPCSCMH-LPHOPBHVSA-N 2 0 343.531 3.264 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175316560 1385250249 /nfs/dbraw/zinc/25/02/49/1385250249.db2.gz KBOMKIIWYWASEZ-PXNSSMCTSA-N 2 0 347.547 3.354 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001175318406 1385251480 /nfs/dbraw/zinc/25/14/80/1385251480.db2.gz ZVXWZDPKEXHUAG-WBVHZDCISA-N 2 0 325.541 3.027 20 0 EGADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H](O)Cc2ccccc2)CC1 ZINC001175352692 1385263689 /nfs/dbraw/zinc/26/36/89/1385263689.db2.gz QQLMDZGZVNOOJJ-LEWJYISDSA-N 2 0 330.516 3.176 20 0 EGADRP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC1CCCCC1 ZINC001317543427 1385285654 /nfs/dbraw/zinc/28/56/54/1385285654.db2.gz NFZMQLGSYQSLJG-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175564730 1385333667 /nfs/dbraw/zinc/33/36/67/1385333667.db2.gz DOWZYDRQIIAMCV-RBUKOAKNSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175573586 1385336647 /nfs/dbraw/zinc/33/66/47/1385336647.db2.gz OZSKXRXPVLTUNM-MOPGFXCFSA-N 2 0 337.552 3.480 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581179 1385338782 /nfs/dbraw/zinc/33/87/82/1385338782.db2.gz IDNBUEJCZCHSAA-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175767151 1385398793 /nfs/dbraw/zinc/39/87/93/1385398793.db2.gz CRLPBBDZAWMHOH-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335986003 1388983107 /nfs/dbraw/zinc/98/31/07/1388983107.db2.gz IDTWXLGVXWAQLQ-BBRMVZONSA-N 2 0 344.421 3.449 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC001335985270 1388983201 /nfs/dbraw/zinc/98/32/01/1388983201.db2.gz BXMUFMVWDNRBIV-OALUTQOASA-N 2 0 348.531 3.062 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3ccnn3-c3cc[nH+]cc3)cc2)CC1 ZINC001175781641 1385403068 /nfs/dbraw/zinc/40/30/68/1385403068.db2.gz JAAQLHHAMYNYNU-UHFFFAOYSA-N 2 0 348.454 3.153 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001176024123 1385464141 /nfs/dbraw/zinc/46/41/41/1385464141.db2.gz LPCIPWIRYWZOOJ-HNNXBMFYSA-N 2 0 339.549 3.163 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001176111085 1385486838 /nfs/dbraw/zinc/48/68/38/1385486838.db2.gz FUJWSVOLOJPQHF-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112348 1385487502 /nfs/dbraw/zinc/48/75/02/1385487502.db2.gz PZQKAOPUZIEDGJ-UTKZUKDTSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCCC[NH+](C)C ZINC001176230118 1385520886 /nfs/dbraw/zinc/52/08/86/1385520886.db2.gz DKVOLLZWMPFZBW-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001176268923 1385532433 /nfs/dbraw/zinc/53/24/33/1385532433.db2.gz OIYXNJLPVLVJOF-GOSISDBHSA-N 2 0 327.557 3.419 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176269611 1385533612 /nfs/dbraw/zinc/53/36/12/1385533612.db2.gz WKEQHZRQGSXMIV-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176284191 1385538950 /nfs/dbraw/zinc/53/89/50/1385538950.db2.gz CWYAYOPTGLMFPC-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP CC(C)CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001317876381 1385555985 /nfs/dbraw/zinc/55/59/85/1385555985.db2.gz VZWFXYRSNOMYBD-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001317879382 1385557707 /nfs/dbraw/zinc/55/77/07/1385557707.db2.gz BTEHUQZODLOHCA-QGZVFWFLSA-N 2 0 339.568 3.181 20 0 EGADRP CCCN(C(=O)C[NH2+]C(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001318211675 1385628692 /nfs/dbraw/zinc/62/86/92/1385628692.db2.gz QRCOMFJOMYNYKG-LJQANCHMSA-N 2 0 345.531 3.278 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176736339 1385675829 /nfs/dbraw/zinc/67/58/29/1385675829.db2.gz AIPFUOGCCCTVPU-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001176752928 1385683508 /nfs/dbraw/zinc/68/35/08/1385683508.db2.gz BENPGYBELMVPRM-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCF)[NH+]1CCCCC1 ZINC001176753794 1385684104 /nfs/dbraw/zinc/68/41/04/1385684104.db2.gz NDBCWJCATYJHDN-ROUUACIJSA-N 2 0 343.531 3.121 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001176754688 1385684932 /nfs/dbraw/zinc/68/49/32/1385684932.db2.gz YHDFZONAOAKYQX-GOSISDBHSA-N 2 0 347.547 3.354 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001176754407 1385685249 /nfs/dbraw/zinc/68/52/49/1385685249.db2.gz UNUKCBOZXFEXSC-GOSISDBHSA-N 2 0 347.547 3.354 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760308 1385686415 /nfs/dbraw/zinc/68/64/15/1385686415.db2.gz UKUWKMVVUIPZIZ-RJCMGOLDSA-N 2 0 337.552 3.482 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CCCC2CCCC2)c1 ZINC001176890034 1385733597 /nfs/dbraw/zinc/73/35/97/1385733597.db2.gz KJCUMFIXAHZLCN-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CCC2CCCCC2)c1 ZINC001176890232 1385734639 /nfs/dbraw/zinc/73/46/39/1385734639.db2.gz NUCXTUDXZSDASA-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001176930966 1385746579 /nfs/dbraw/zinc/74/65/79/1385746579.db2.gz UFAPYKHVGUGYDZ-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001176934198 1385747987 /nfs/dbraw/zinc/74/79/87/1385747987.db2.gz RLSXNRKXEVKWTQ-LFYBBSHMSA-N 2 0 343.515 3.062 20 0 EGADRP Cc1cc(C[NH2+]CCCNC(=O)c2ccccc2C[NH+](C)C)cs1 ZINC001176948078 1385751987 /nfs/dbraw/zinc/75/19/87/1385751987.db2.gz FMTJVITVXSUXFK-UHFFFAOYSA-N 2 0 345.512 3.028 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001176948352 1385752371 /nfs/dbraw/zinc/75/23/71/1385752371.db2.gz SKIBDGQFKIAWQO-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001176997119 1385768429 /nfs/dbraw/zinc/76/84/29/1385768429.db2.gz JFPXEGZEKMREAX-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001176997579 1385768907 /nfs/dbraw/zinc/76/89/07/1385768907.db2.gz SJBJKBXOLMGCIJ-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177267814 1385890717 /nfs/dbraw/zinc/89/07/17/1385890717.db2.gz YVZNJZHYFHONMK-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+]CC1CCCCCC1 ZINC001177331003 1385916695 /nfs/dbraw/zinc/91/66/95/1385916695.db2.gz FJCZVHWNFYVDKE-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177331854 1385917639 /nfs/dbraw/zinc/91/76/39/1385917639.db2.gz MRIJIEPAZVQTJE-SFHVURJKSA-N 2 0 325.541 3.031 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1)[NH+](C)C ZINC001177348996 1385924204 /nfs/dbraw/zinc/92/42/04/1385924204.db2.gz TVYCOAJBGBMURQ-VDZSZVPASA-N 2 0 343.943 3.078 20 0 EGADRP CCCC[NH+]1CCC(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001319039920 1385942011 /nfs/dbraw/zinc/94/20/11/1385942011.db2.gz QGMWOCHNACQRAR-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001177484870 1385974193 /nfs/dbraw/zinc/97/41/93/1385974193.db2.gz LHTWCBIZDSBELH-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccc(C[NH+]2CCCN(CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC001319222350 1386012593 /nfs/dbraw/zinc/01/25/93/1386012593.db2.gz CLRVUUAHPQGGRZ-OAQYLSRUSA-N 2 0 329.532 3.377 20 0 EGADRP Cc1ccc(C[NH+]2CCCN(CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC001319222349 1386012727 /nfs/dbraw/zinc/01/27/27/1386012727.db2.gz CLRVUUAHPQGGRZ-NRFANRHFSA-N 2 0 329.532 3.377 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001319228600 1386015383 /nfs/dbraw/zinc/01/53/83/1386015383.db2.gz IZSHTEOTCVNZKD-HKUYNNGSSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001698626773 1406269003 /nfs/dbraw/zinc/26/90/03/1406269003.db2.gz OOYFAGBZLGFIBZ-KZNAEPCWSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1)c1ccccc1 ZINC001319372187 1386085872 /nfs/dbraw/zinc/08/58/72/1386085872.db2.gz GOROOHGWNLISQG-KRWDZBQOSA-N 2 0 343.515 3.108 20 0 EGADRP CN(C)c1cc[nH+]cc1CNc1cccc(C[NH+]2CCSCC2)c1 ZINC001178030841 1386112513 /nfs/dbraw/zinc/11/25/13/1386112513.db2.gz OYLWOQGTJYBZKD-UHFFFAOYSA-N 2 0 342.512 3.309 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001178045511 1386114996 /nfs/dbraw/zinc/11/49/96/1386114996.db2.gz NCAMYJUQLSKPNT-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178468144 1386226414 /nfs/dbraw/zinc/22/64/14/1386226414.db2.gz PJXZKGCHFOOBDC-VOFKWLDRSA-N 2 0 337.552 3.482 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001178490922 1386234160 /nfs/dbraw/zinc/23/41/60/1386234160.db2.gz VFVANVVAVLFIJB-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502438 1386237099 /nfs/dbraw/zinc/23/70/99/1386237099.db2.gz QPXSAXULNMLDAU-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178612204 1386262830 /nfs/dbraw/zinc/26/28/30/1386262830.db2.gz KQCBRUQZQJCYDD-GOSISDBHSA-N 2 0 343.531 3.123 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001178687977 1386277797 /nfs/dbraw/zinc/27/77/97/1386277797.db2.gz AMQOBZHMADDIRV-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001178689033 1386279183 /nfs/dbraw/zinc/27/91/83/1386279183.db2.gz MROJRHUOHJSQLI-OKZBNKHCSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178693247 1386279555 /nfs/dbraw/zinc/27/95/55/1386279555.db2.gz MOPHTRVLVGQYOD-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001178698798 1386282470 /nfs/dbraw/zinc/28/24/70/1386282470.db2.gz VCRIQIJOODEFMN-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178755570 1386295796 /nfs/dbraw/zinc/29/57/96/1386295796.db2.gz WFOMNLURQCVHKU-SFHVURJKSA-N 2 0 327.557 3.275 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001178854157 1386329546 /nfs/dbraw/zinc/32/95/46/1386329546.db2.gz WGPDAHIIQILXSC-UHFFFAOYSA-N 2 0 339.549 3.245 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178926207 1386350705 /nfs/dbraw/zinc/35/07/05/1386350705.db2.gz SFWGQEFOMQJQDU-BZSNNMDCSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179026124 1386380282 /nfs/dbraw/zinc/38/02/82/1386380282.db2.gz NCHSSILPZRMORR-UHFFFAOYSA-N 2 0 330.476 3.404 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C)ccc2c[nH+]cn21 ZINC001179032084 1386382007 /nfs/dbraw/zinc/38/20/07/1386382007.db2.gz FHVSASQGOFSQIQ-YJBOKZPZSA-N 2 0 342.487 3.272 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179133840 1386407314 /nfs/dbraw/zinc/40/73/14/1386407314.db2.gz BZJFTORMAPKIKD-HZQHCPKGSA-N 2 0 349.563 3.483 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179133842 1386407420 /nfs/dbraw/zinc/40/74/20/1386407420.db2.gz BZJFTORMAPKIKD-XQQSMPNESA-N 2 0 349.563 3.483 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CCCF)CCCCC1 ZINC001179134268 1386407538 /nfs/dbraw/zinc/40/75/38/1386407538.db2.gz KCMMFXPLANYFHL-UHFFFAOYSA-N 2 0 343.531 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(C)C ZINC001319957625 1386418898 /nfs/dbraw/zinc/41/88/98/1386418898.db2.gz QZAVVAPYNJDMTF-VQTJNVASSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001179234061 1386428116 /nfs/dbraw/zinc/42/81/16/1386428116.db2.gz GZDKYVFRPQNGAY-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179238902 1386429119 /nfs/dbraw/zinc/42/91/19/1386429119.db2.gz GBPBSKOMZDEAFE-HKUYNNGSSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1cccnc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001319991466 1386440364 /nfs/dbraw/zinc/44/03/64/1386440364.db2.gz AJARZXLZPOVTAN-QZTJIDSGSA-N 2 0 339.483 3.289 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C1 ZINC001179357863 1386462799 /nfs/dbraw/zinc/46/27/99/1386462799.db2.gz NYUSVPQCZPQFKD-SYJIQKIWSA-N 2 0 343.943 3.127 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179402991 1386476385 /nfs/dbraw/zinc/47/63/85/1386476385.db2.gz IYFJGNOOHMBPND-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001179463692 1386487818 /nfs/dbraw/zinc/48/78/18/1386487818.db2.gz HKAMGDJKEZKWCV-MRXNPFEDSA-N 2 0 337.483 3.105 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001320073140 1386492772 /nfs/dbraw/zinc/49/27/72/1386492772.db2.gz RGLXPISYCYINRL-UHFFFAOYSA-N 2 0 347.547 3.216 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001179565878 1386516880 /nfs/dbraw/zinc/51/68/80/1386516880.db2.gz XSOXSXXPJNBYQE-IAGOWNOFSA-N 2 0 331.520 3.121 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001179586873 1386523766 /nfs/dbraw/zinc/52/37/66/1386523766.db2.gz UVOKRLNJEZMCBJ-GOSISDBHSA-N 2 0 339.568 3.421 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179585483 1386524346 /nfs/dbraw/zinc/52/43/46/1386524346.db2.gz IXOMHXIWGBSBOD-HMTUNPETSA-N 2 0 337.552 3.197 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179592460 1386526759 /nfs/dbraw/zinc/52/67/59/1386526759.db2.gz CCBOAKNIPVPAJS-KRWDZBQOSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C)[NH+]1CCCCCC1 ZINC001179652010 1386540928 /nfs/dbraw/zinc/54/09/28/1386540928.db2.gz KIKWBIUFVHJZIW-BZSNNMDCSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179792551 1386587630 /nfs/dbraw/zinc/58/76/30/1386587630.db2.gz ROFSPHCZAKFDNT-MOPGFXCFSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179850680 1386607796 /nfs/dbraw/zinc/60/77/96/1386607796.db2.gz KGBPABJJVFGJIT-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968689 1386652970 /nfs/dbraw/zinc/65/29/70/1386652970.db2.gz ZIIKNUCMGFHVPQ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@@H]1C ZINC001179978507 1386656725 /nfs/dbraw/zinc/65/67/25/1386656725.db2.gz DHZOLSJAGVBVCP-LNLFQRSKSA-N 2 0 331.504 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001180035884 1386676543 /nfs/dbraw/zinc/67/65/43/1386676543.db2.gz YCUSXECMBSRNIW-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1=CCCCC1)C12CC[NH+](CC1)C2 ZINC001180068954 1386687150 /nfs/dbraw/zinc/68/71/50/1386687150.db2.gz SGNQUFFIDKAJFK-UHFFFAOYSA-N 2 0 347.547 3.239 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001180095553 1386696346 /nfs/dbraw/zinc/69/63/46/1386696346.db2.gz FPRDKXKUPMRJMR-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001180100441 1386697061 /nfs/dbraw/zinc/69/70/61/1386697061.db2.gz IXFPUWOWCYIXJT-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC(CC)CC ZINC001180117926 1386702434 /nfs/dbraw/zinc/70/24/34/1386702434.db2.gz MBVLAKGPZNABDT-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1csc(C)c1 ZINC001180123262 1386703871 /nfs/dbraw/zinc/70/38/71/1386703871.db2.gz DEGGZDTYGSZZRV-UHFFFAOYSA-N 2 0 339.549 3.165 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204424 1386732041 /nfs/dbraw/zinc/73/20/41/1386732041.db2.gz RELCAGHWEXUYSH-DSQZMVHQSA-N 2 0 335.536 3.188 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001180274821 1386752000 /nfs/dbraw/zinc/75/20/00/1386752000.db2.gz XNGYXZPWKIWSNZ-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001180274444 1386752017 /nfs/dbraw/zinc/75/20/17/1386752017.db2.gz DQMLCTSIYKMWBC-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)cc1C ZINC001180274794 1386752050 /nfs/dbraw/zinc/75/20/50/1386752050.db2.gz WIYCYHMIJRYBLE-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001180310420 1386760939 /nfs/dbraw/zinc/76/09/39/1386760939.db2.gz GZABXPDMUSZAML-YOEHRIQHSA-N 2 0 344.421 3.464 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180365725 1386775385 /nfs/dbraw/zinc/77/53/85/1386775385.db2.gz DSBOAGDNARUHMQ-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001180372684 1386777602 /nfs/dbraw/zinc/77/76/02/1386777602.db2.gz HIHAHXRMRVYINJ-ACBHZAAOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)C1CCSCC1 ZINC001321494713 1386916088 /nfs/dbraw/zinc/91/60/88/1386916088.db2.gz GESVEJRBMXMYOE-INIZCTEOSA-N 2 0 333.545 3.060 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181440455 1386995091 /nfs/dbraw/zinc/99/50/91/1386995091.db2.gz GPUUWCYGRGMKAQ-BWPKTWLJSA-N 2 0 349.563 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181671008 1387035979 /nfs/dbraw/zinc/03/59/79/1387035979.db2.gz HFSXERXOGJIEQH-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181672690 1387036208 /nfs/dbraw/zinc/03/62/08/1387036208.db2.gz YWWDABYVIFEXGM-YCIUYBBHSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755227 1387050760 /nfs/dbraw/zinc/05/07/60/1387050760.db2.gz KRUXVFVKOSWFRS-JIVVRBSXSA-N 2 0 349.563 3.147 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001181793563 1387056074 /nfs/dbraw/zinc/05/60/74/1387056074.db2.gz WMGBWJLKGHOBJA-QWFCFKBJSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181868854 1387066748 /nfs/dbraw/zinc/06/67/48/1387066748.db2.gz NIUQEXDIGYJYNH-IYARVYRRSA-N 2 0 325.541 3.253 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001322274951 1387134505 /nfs/dbraw/zinc/13/45/05/1387134505.db2.gz RZDYBNPZKMBCRT-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001182614744 1387196973 /nfs/dbraw/zinc/19/69/73/1387196973.db2.gz PJEFILXSYYODOO-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)[nH]n1 ZINC001322600078 1387211626 /nfs/dbraw/zinc/21/16/26/1387211626.db2.gz HHIHKOHEQIDWIH-IYBDPMFKSA-N 2 0 326.488 3.486 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634603 1387217106 /nfs/dbraw/zinc/21/71/06/1387217106.db2.gz VIEGMPPRWDCUHI-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001698713232 1406355399 /nfs/dbraw/zinc/35/53/99/1406355399.db2.gz ROBFMTWUZYQOGM-QZHFEQFPSA-N 2 0 349.494 3.244 20 0 EGADRP CCCC[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329886688 1389246048 /nfs/dbraw/zinc/24/60/48/1389246048.db2.gz GBIMWOTXIPVHQV-MOPGFXCFSA-N 2 0 349.494 3.075 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC001331417467 1389739701 /nfs/dbraw/zinc/73/97/01/1389739701.db2.gz BHLYOLWXFLHXRH-HNNXBMFYSA-N 2 0 344.503 3.401 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC001332882318 1390208139 /nfs/dbraw/zinc/20/81/39/1390208139.db2.gz XALOHPDASMDRJM-INFJVKRUSA-N 2 0 340.511 3.444 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)CCCCC2CC[NH2+]CC2)CC1 ZINC001340042431 1390214280 /nfs/dbraw/zinc/21/42/80/1390214280.db2.gz YAHKBWXBIINKPV-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001340866041 1390389219 /nfs/dbraw/zinc/38/92/19/1390389219.db2.gz WVTVLARBEKBXDQ-XEYPJELSSA-N 2 0 345.531 3.261 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C[C@H]2C1 ZINC001333891392 1390431637 /nfs/dbraw/zinc/43/16/37/1390431637.db2.gz LRVURQFIGSUEFY-ANTGDGSKSA-N 2 0 344.499 3.016 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001341518584 1390496956 /nfs/dbraw/zinc/49/69/56/1390496956.db2.gz ZTQZSYQCBAIRMD-FQEVSTJZSA-N 2 0 345.531 3.168 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)(C)C)c1ccsc1 ZINC001341555958 1390501681 /nfs/dbraw/zinc/50/16/81/1390501681.db2.gz QFTUYOIDEOLCAN-LSDHHAIUSA-N 2 0 325.522 3.011 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]([NH3+])C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001341699207 1390518738 /nfs/dbraw/zinc/51/87/38/1390518738.db2.gz DMZPITLCXDOEFX-NEWSRXKRSA-N 2 0 345.531 3.261 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001341701033 1390518885 /nfs/dbraw/zinc/51/88/85/1390518885.db2.gz MPPATERGBNMGOJ-YZGWKJHDSA-N 2 0 345.531 3.261 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(Cl)cc1O ZINC001334358154 1390524432 /nfs/dbraw/zinc/52/44/32/1390524432.db2.gz WYDZBNCOPDJTPR-KCQAQPDRSA-N 2 0 338.879 3.216 20 0 EGADRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC001335344117 1390674192 /nfs/dbraw/zinc/67/41/92/1390674192.db2.gz BUUUMCVYXPXXJL-GOSISDBHSA-N 2 0 336.838 3.364 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC001335399416 1390679772 /nfs/dbraw/zinc/67/97/72/1390679772.db2.gz ZYIFNHPDSUASAJ-CQSZACIVSA-N 2 0 337.895 3.379 20 0 EGADRP c1ccc(C2CCC(C[NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1 ZINC001343259930 1390702987 /nfs/dbraw/zinc/70/29/87/1390702987.db2.gz AHVIFCRFQPGDSO-CGNZLSCGSA-N 2 0 328.500 3.413 20 0 EGADRP COc1cccc(N2CCC([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC001345469997 1390861482 /nfs/dbraw/zinc/86/14/82/1390861482.db2.gz MSTAUNCILRKKFU-LEWJYISDSA-N 2 0 337.467 3.398 20 0 EGADRP CC[C@@]1(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC[NH2+]C1 ZINC001345767027 1390883773 /nfs/dbraw/zinc/88/37/73/1390883773.db2.gz BJQVDOBJMRGYIE-FXAWDEMLSA-N 2 0 343.515 3.156 20 0 EGADRP [NH3+]C[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001345942510 1390896061 /nfs/dbraw/zinc/89/60/61/1390896061.db2.gz BUKOJROZKJYPQC-JTQLQIEISA-N 2 0 336.329 3.060 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)sc2C1 ZINC001345956189 1390897190 /nfs/dbraw/zinc/89/71/90/1390897190.db2.gz MTAOSCMZSZRUNE-OAGGEKHMSA-N 2 0 333.545 3.480 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001347927755 1391147709 /nfs/dbraw/zinc/14/77/09/1391147709.db2.gz YNCBAMOBYWFHBW-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001350338687 1391450128 /nfs/dbraw/zinc/45/01/28/1391450128.db2.gz UCEHSYJJMRAPJF-INIZCTEOSA-N 2 0 334.479 3.380 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001698831469 1406525518 /nfs/dbraw/zinc/52/55/18/1406525518.db2.gz ARBDWVSZOQSLEI-PKOBYXMFSA-N 2 0 343.515 3.203 20 0 EGADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001353875447 1392104358 /nfs/dbraw/zinc/10/43/58/1392104358.db2.gz NOLBADORPNLBTL-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479957399 1392494135 /nfs/dbraw/zinc/49/41/35/1392494135.db2.gz XNQIYDFIMWBAGW-TUYSUELWSA-N 2 0 335.536 3.186 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480073863 1392563726 /nfs/dbraw/zinc/56/37/26/1392563726.db2.gz XWNWRMAFHLAQFI-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001480304293 1392667942 /nfs/dbraw/zinc/66/79/42/1392667942.db2.gz XEEDUJRHXUAQQL-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001480798728 1392940912 /nfs/dbraw/zinc/94/09/12/1392940912.db2.gz KHZRZRDAPVTXQH-RBUKOAKNSA-N 2 0 345.531 3.272 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001480913083 1393016554 /nfs/dbraw/zinc/01/65/54/1393016554.db2.gz IKDIPZBXRFZDTK-QGZVFWFLSA-N 2 0 333.520 3.082 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480979119 1393064121 /nfs/dbraw/zinc/06/41/21/1393064121.db2.gz WRQPCRYUOSELFS-GOSISDBHSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[C@H](C)c1ccccc1 ZINC001481004446 1393083167 /nfs/dbraw/zinc/08/31/67/1393083167.db2.gz CCCSKVTYMRHEIZ-MOPGFXCFSA-N 2 0 345.531 3.450 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001481071544 1393113344 /nfs/dbraw/zinc/11/33/44/1393113344.db2.gz RQRMYXLSKQAHCI-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001481071543 1393113428 /nfs/dbraw/zinc/11/34/28/1393113428.db2.gz RQRMYXLSKQAHCI-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490558611 1394258963 /nfs/dbraw/zinc/25/89/63/1394258963.db2.gz LQHJTVZHUHRLCD-OXJNMPFZSA-N 2 0 339.483 3.043 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001481444198 1394296791 /nfs/dbraw/zinc/29/67/91/1394296791.db2.gz KJRKQPGAGQAHIW-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490773406 1394334897 /nfs/dbraw/zinc/33/48/97/1394334897.db2.gz FOIHLUNSGDHZCZ-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001481526677 1394377737 /nfs/dbraw/zinc/37/77/37/1394377737.db2.gz XXFOWJVVMVIXBZ-IEBWSBKVSA-N 2 0 343.515 3.121 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCCC2)CC1 ZINC001491231478 1394485837 /nfs/dbraw/zinc/48/58/37/1394485837.db2.gz ZNAXGPMXDINVEK-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001481896964 1394584952 /nfs/dbraw/zinc/58/49/52/1394584952.db2.gz JIGRTYNHSBFVIN-LJQANCHMSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001482044019 1394705722 /nfs/dbraw/zinc/70/57/22/1394705722.db2.gz ZECOQYSJKHZXLJ-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CCCC1)[NH+](C)C ZINC001482222618 1394816597 /nfs/dbraw/zinc/81/65/97/1394816597.db2.gz PMSFSTAIJAANJT-CRAIPNDOSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482366467 1394929109 /nfs/dbraw/zinc/92/91/09/1394929109.db2.gz AMOKVGZTTQODII-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C)c1 ZINC001698973278 1406739328 /nfs/dbraw/zinc/73/93/28/1406739328.db2.gz QPFKQTYMJNSEPW-WOJBJXKFSA-N 2 0 347.547 3.120 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001484142587 1395278455 /nfs/dbraw/zinc/27/84/55/1395278455.db2.gz WGNWESBIUXHPOR-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001484723113 1395486058 /nfs/dbraw/zinc/48/60/58/1395486058.db2.gz LTTWNROBPHCAHB-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001484987612 1395631184 /nfs/dbraw/zinc/63/11/84/1395631184.db2.gz DCNZXQDQUOWHHL-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001485960374 1396174017 /nfs/dbraw/zinc/17/40/17/1396174017.db2.gz FLIGKCFGOBHVQQ-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001486082790 1396175891 /nfs/dbraw/zinc/17/58/91/1396175891.db2.gz HCBKJYGYEKNYEP-BEFAXECRSA-N 2 0 342.487 3.272 20 0 EGADRP CN(CC[N@H+](C)CC1CCC(C)(C)CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001699002157 1406815476 /nfs/dbraw/zinc/81/54/76/1406815476.db2.gz HZTBLIZHUJAYSE-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)CCCn1ccnc1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001494875811 1396504127 /nfs/dbraw/zinc/50/41/27/1396504127.db2.gz KOTWHDNIKCYDSR-LJQANCHMSA-N 2 0 346.519 3.166 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CC2CC(C)C2)C2CC2)CC1 ZINC001495290893 1396528982 /nfs/dbraw/zinc/52/89/82/1396528982.db2.gz FYWZIIZMTGBLBX-BPZDKFOGSA-N 2 0 349.563 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001699033466 1406872417 /nfs/dbraw/zinc/87/24/17/1406872417.db2.gz AOBMMNADQXCCPE-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001690458538 1404588754 /nfs/dbraw/zinc/58/87/54/1404588754.db2.gz DTKGMDMSVISDBS-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCCCCC1 ZINC001690575594 1404637669 /nfs/dbraw/zinc/63/76/69/1404637669.db2.gz WUMYHWQQPRSWQV-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690783205 1404730796 /nfs/dbraw/zinc/73/07/96/1404730796.db2.gz BIRYVPOEWWAHFR-PMACEKPBSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1cccc(C)c1 ZINC001691045251 1404957774 /nfs/dbraw/zinc/95/77/74/1404957774.db2.gz ZPLQEJLEGDMCGC-IBGZPJMESA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001691102885 1405042350 /nfs/dbraw/zinc/04/23/50/1405042350.db2.gz QTFXDGDPPZFVEP-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1F ZINC001691500507 1405304780 /nfs/dbraw/zinc/30/47/80/1405304780.db2.gz PQTVFPOSRHMMRY-APWZRJJASA-N 2 0 349.494 3.198 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001698586854 1406204339 /nfs/dbraw/zinc/20/43/39/1406204339.db2.gz DYYBJSLHOPFXNQ-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)C[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001732262313 1428502731 /nfs/dbraw/zinc/50/27/31/1428502731.db2.gz ROHZYJOCGYFMDZ-ICSRJNTNSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001732402387 1428567364 /nfs/dbraw/zinc/56/73/64/1428567364.db2.gz JGFPZSIUGCUGHD-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732431153 1428578099 /nfs/dbraw/zinc/57/80/99/1428578099.db2.gz LQSOEEPCXBHXDB-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001699428721 1412745265 /nfs/dbraw/zinc/74/52/65/1412745265.db2.gz QMMORLIZYZQCLD-SFHVURJKSA-N 2 0 345.531 3.018 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001699677422 1413072039 /nfs/dbraw/zinc/07/20/39/1413072039.db2.gz SCCZGLSGWGMAMQ-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001699687204 1413087351 /nfs/dbraw/zinc/08/73/51/1413087351.db2.gz AQBXCAGANOFODU-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)CC1 ZINC001699701450 1413114126 /nfs/dbraw/zinc/11/41/26/1413114126.db2.gz FCBBYUAREVFWPO-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001699736785 1413148323 /nfs/dbraw/zinc/14/83/23/1413148323.db2.gz GJBDQHUIMQDMAN-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001699877378 1413338320 /nfs/dbraw/zinc/33/83/20/1413338320.db2.gz WRKFJUWRYOOYBA-GHTZIAJQSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001700189075 1413615552 /nfs/dbraw/zinc/61/55/52/1413615552.db2.gz DDBMUENRPDDVPM-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001700189074 1413615834 /nfs/dbraw/zinc/61/58/34/1413615834.db2.gz DDBMUENRPDDVPM-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC001700192955 1413625682 /nfs/dbraw/zinc/62/56/82/1413625682.db2.gz HWOXOXCMWPNUQA-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001700314441 1413771500 /nfs/dbraw/zinc/77/15/00/1413771500.db2.gz SZTLFWFXHBZMTN-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001700487723 1414135970 /nfs/dbraw/zinc/13/59/70/1414135970.db2.gz NQZFCGKHSRPTPB-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001700878081 1414533487 /nfs/dbraw/zinc/53/34/87/1414533487.db2.gz GKAHXWMDNRPZAG-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001700878083 1414533521 /nfs/dbraw/zinc/53/35/21/1414533521.db2.gz GKAHXWMDNRPZAG-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001700878793 1414534398 /nfs/dbraw/zinc/53/43/98/1414534398.db2.gz IFFWABSGCWBPQM-PKOBYXMFSA-N 2 0 337.552 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2c(C)cccc2C)C1 ZINC001701024367 1414686047 /nfs/dbraw/zinc/68/60/47/1414686047.db2.gz BEWKGRBQCYWWHH-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001732632395 1428894358 /nfs/dbraw/zinc/89/43/58/1428894358.db2.gz XBBSGRGCHNRSEF-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001732632396 1428894433 /nfs/dbraw/zinc/89/44/33/1428894433.db2.gz XBBSGRGCHNRSEF-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001733026828 1429145797 /nfs/dbraw/zinc/14/57/97/1429145797.db2.gz FDKUVHIAWYYMAM-ZWKOTPCHSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707163809 1417226317 /nfs/dbraw/zinc/22/63/17/1417226317.db2.gz PDQDSIVSTICHJW-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001733053675 1429194054 /nfs/dbraw/zinc/19/40/54/1429194054.db2.gz SJMGDGRZDRYOTP-ZWKOTPCHSA-N 2 0 347.547 3.470 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001713254463 1417851449 /nfs/dbraw/zinc/85/14/49/1417851449.db2.gz RMFYEYCAPDRCPU-IBGZPJMESA-N 2 0 337.552 3.412 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001713381774 1417992046 /nfs/dbraw/zinc/99/20/46/1417992046.db2.gz MIUCVRVHXCAOAY-VQTJNVASSA-N 2 0 349.563 3.460 20 0 EGADRP Cc1cnc2cc(C(=O)NC[C@@H]([NH2+]CC3CC3)c3ccccc3)ccn12 ZINC001713702049 1418460262 /nfs/dbraw/zinc/46/02/62/1418460262.db2.gz GCUJDBVBBJBEPZ-LJQANCHMSA-N 2 0 348.450 3.113 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713792452 1418610908 /nfs/dbraw/zinc/61/09/08/1418610908.db2.gz UOIAXYPIEQDQAS-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001713874101 1418670649 /nfs/dbraw/zinc/67/06/49/1418670649.db2.gz DECRMEMCFGFQCK-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001713913104 1418709363 /nfs/dbraw/zinc/70/93/63/1418709363.db2.gz TWSBMTULCGASRG-HSALFYBXSA-N 2 0 343.515 3.155 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713917218 1418711929 /nfs/dbraw/zinc/71/19/29/1418711929.db2.gz HSFKRIPVIXQWSZ-KRWDZBQOSA-N 2 0 345.531 3.082 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCCC2)CCC1 ZINC001714106933 1418906738 /nfs/dbraw/zinc/90/67/38/1418906738.db2.gz DJHXCYJCKKCVMU-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001714305234 1419084955 /nfs/dbraw/zinc/08/49/55/1419084955.db2.gz NOMPNTDPFMLTFI-IYARVYRRSA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001714412267 1419151002 /nfs/dbraw/zinc/15/10/02/1419151002.db2.gz PGPMQNFCVGAYLX-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC/C=C/c1ccccc1 ZINC001714572673 1419306195 /nfs/dbraw/zinc/30/61/95/1419306195.db2.gz QOFRGOQKORKFMO-NBSXQYNISA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1cccc(F)c1 ZINC001714653675 1419433004 /nfs/dbraw/zinc/43/30/04/1419433004.db2.gz CHMLDRXKUSAEAT-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001715034085 1419768027 /nfs/dbraw/zinc/76/80/27/1419768027.db2.gz YMMISCQSAVOTEG-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001715044307 1419784666 /nfs/dbraw/zinc/78/46/66/1419784666.db2.gz OKNMPIHLSVIZGU-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2CC[NH+](CCCC3CCC3)CC2)CC1 ZINC001715205743 1419939914 /nfs/dbraw/zinc/93/99/14/1419939914.db2.gz QHIOPPOOIPFIAK-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C[NH2+]Cc1ccccc1 ZINC001715243798 1419971438 /nfs/dbraw/zinc/97/14/38/1419971438.db2.gz LDADYLGPKYRWKW-GOSISDBHSA-N 2 0 345.531 3.041 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001715270081 1419986148 /nfs/dbraw/zinc/98/61/48/1419986148.db2.gz BZDHIKCFHBYLEK-IBGZPJMESA-N 2 0 345.531 3.021 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001715316935 1420025894 /nfs/dbraw/zinc/02/58/94/1420025894.db2.gz XWLLMIYQDVDTTR-GOSISDBHSA-N 2 0 343.515 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001715317417 1420026238 /nfs/dbraw/zinc/02/62/38/1420026238.db2.gz PGTJUEHBPLZCII-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001716508846 1420740666 /nfs/dbraw/zinc/74/06/66/1420740666.db2.gz RCNMVDKKXKDMKS-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001716549386 1420757371 /nfs/dbraw/zinc/75/73/71/1420757371.db2.gz CZBFNRNFBZMVPC-WMLDXEAASA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716763851 1420910585 /nfs/dbraw/zinc/91/05/85/1420910585.db2.gz HCWIIDDMHUNFCH-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001716843508 1420970001 /nfs/dbraw/zinc/97/00/01/1420970001.db2.gz OBTHXPWZMIUMOE-LAUBAEHRSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001717485314 1421421478 /nfs/dbraw/zinc/42/14/78/1421421478.db2.gz JVRCIPDDRDZSGZ-IAGOWNOFSA-N 2 0 345.531 3.015 20 0 EGADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001717493246 1421432336 /nfs/dbraw/zinc/43/23/36/1421432336.db2.gz TYVKRFWQBNPMKG-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP CCCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001717628836 1421537712 /nfs/dbraw/zinc/53/77/12/1421537712.db2.gz GLBQIAMJWJKFTQ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001717741508 1421605080 /nfs/dbraw/zinc/60/50/80/1421605080.db2.gz SOENUXJARSNLLI-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001717877521 1421683422 /nfs/dbraw/zinc/68/34/22/1421683422.db2.gz ADHVVQGUYDNXMD-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001717877519 1421683446 /nfs/dbraw/zinc/68/34/46/1421683446.db2.gz ADHVVQGUYDNXMD-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717886035 1421688301 /nfs/dbraw/zinc/68/83/01/1421688301.db2.gz YMVQCOVGKLMRSZ-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP CC1CC(C[NH2+]C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C2CC2)C1 ZINC001723317011 1424348262 /nfs/dbraw/zinc/34/82/62/1424348262.db2.gz WCUADNXNJDXWJV-FAFZWHIHSA-N 2 0 349.563 3.029 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001723859018 1424587412 /nfs/dbraw/zinc/58/74/12/1424587412.db2.gz HTWURPJBWRCQSK-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001723864310 1424592536 /nfs/dbraw/zinc/59/25/36/1424592536.db2.gz YRWDZIMAMKVQDA-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1)C1CCC1 ZINC001723906593 1424602905 /nfs/dbraw/zinc/60/29/05/1424602905.db2.gz UBVOAOPSKMASFB-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC001724013924 1424627827 /nfs/dbraw/zinc/62/78/27/1424627827.db2.gz HKWRGHHOFGHPEB-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724833115 1425179223 /nfs/dbraw/zinc/17/92/23/1425179223.db2.gz BASVHOXXXLRPQR-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001725244076 1425857167 /nfs/dbraw/zinc/85/71/67/1425857167.db2.gz XDXYLLLOIGRERJ-RBUKOAKNSA-N 2 0 339.568 3.370 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@@H](C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001725468831 1426137895 /nfs/dbraw/zinc/13/78/95/1426137895.db2.gz QLEIAMRQJFPBBE-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]([NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001725782666 1426467205 /nfs/dbraw/zinc/46/72/05/1426467205.db2.gz LSLFORCRHYKKDL-CTWPCTMYSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001731295877 1427238528 /nfs/dbraw/zinc/23/85/28/1427238528.db2.gz JHVPNALPISAORM-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001731387107 1427334233 /nfs/dbraw/zinc/33/42/33/1427334233.db2.gz FVEIYICGAWAALL-LMDPOFIKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1C/C=C\c1ccccc1 ZINC001731543947 1427559714 /nfs/dbraw/zinc/55/97/14/1427559714.db2.gz OXDHCMUWGQMVRR-DBBZSVRUSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001731963264 1428185628 /nfs/dbraw/zinc/18/56/28/1428185628.db2.gz ZCRFINMLFPQMRR-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001733599537 1429800800 /nfs/dbraw/zinc/80/08/00/1429800800.db2.gz OBMZDWRWKSTJCT-OTWHNJEPSA-N 2 0 337.552 3.218 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001733771331 1430003688 /nfs/dbraw/zinc/00/36/88/1430003688.db2.gz XHHLRWNDZXVDMO-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CC(C)C)C2)[NH+](CC)CC ZINC001733836264 1430109212 /nfs/dbraw/zinc/10/92/12/1430109212.db2.gz SUIWNSNSQARRIF-FQEVSTJZSA-N 2 0 345.531 3.395 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001733902125 1437720520 /nfs/dbraw/zinc/72/05/20/1437720520.db2.gz SYSJEHKMSWAKHD-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001734274805 1438008932 /nfs/dbraw/zinc/00/89/32/1438008932.db2.gz RUCJTGWFXODFKL-QGZVFWFLSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001734322525 1438049386 /nfs/dbraw/zinc/04/93/86/1438049386.db2.gz IEUXTFRWTMIJGG-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001752517740 1440191690 /nfs/dbraw/zinc/19/16/90/1440191690.db2.gz KDVRTRRREKGQJA-FQEVSTJZSA-N 2 0 345.531 3.007 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CCC2=CCCCC2)C1 ZINC001752527232 1440193204 /nfs/dbraw/zinc/19/32/04/1440193204.db2.gz JTEHRIIEWFZBSY-FQEVSTJZSA-N 2 0 349.563 3.389 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)CCCCC1 ZINC001752651465 1440197980 /nfs/dbraw/zinc/19/79/80/1440197980.db2.gz ABJQSCKNUNAMQT-IYARVYRRSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752654854 1440198234 /nfs/dbraw/zinc/19/82/34/1440198234.db2.gz DYDJXLUMLRSFOF-LSTDLKDCSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001752686799 1440199901 /nfs/dbraw/zinc/19/99/01/1440199901.db2.gz AZWBRFCMYGHBRN-PSBWJHGTSA-N 2 0 335.536 3.066 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001752709184 1440203334 /nfs/dbraw/zinc/20/33/34/1440203334.db2.gz ZRMAEFOFCZCRDG-BGEOSOQGSA-N 2 0 349.563 3.388 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752800011 1440214946 /nfs/dbraw/zinc/21/49/46/1440214946.db2.gz OPZJOTHKVXWLQM-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001752824591 1440222844 /nfs/dbraw/zinc/22/28/44/1440222844.db2.gz AKWKWAFGRJRLHS-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC)c1ccccc1 ZINC001752831054 1440225356 /nfs/dbraw/zinc/22/53/56/1440225356.db2.gz YXJZOQXQIWDMIU-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752845812 1440232305 /nfs/dbraw/zinc/23/23/05/1440232305.db2.gz AAMOKTNHHPRCFL-MIIYPZDFSA-N 2 0 347.547 3.044 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001752853674 1440234299 /nfs/dbraw/zinc/23/42/99/1440234299.db2.gz PAVYSSHNFMRAQA-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752900662 1440242824 /nfs/dbraw/zinc/24/28/24/1440242824.db2.gz JZADCCNWCGKVRO-BUFKOALHSA-N 2 0 341.515 3.040 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001752976710 1440256236 /nfs/dbraw/zinc/25/62/36/1440256236.db2.gz QQSDMYFKYOHNIE-OALUTQOASA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001753027307 1440271893 /nfs/dbraw/zinc/27/18/93/1440271893.db2.gz IEGZPPQXYFJOOL-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@H](C)c1cc(C)ccc1C ZINC001753083642 1440295182 /nfs/dbraw/zinc/29/51/82/1440295182.db2.gz MHJKAXCGIKFGAQ-GOSISDBHSA-N 2 0 345.531 3.287 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cccc(F)c1 ZINC001753143416 1440322924 /nfs/dbraw/zinc/32/29/24/1440322924.db2.gz RKNHCYBWOCRGBW-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001753146020 1440324392 /nfs/dbraw/zinc/32/43/92/1440324392.db2.gz FAXIFIBAZVHVTA-CEXWTWQISA-N 2 0 349.563 3.125 20 0 EGADRP CN(CC[NH2+]CCC(C)(C)C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001753217065 1440339734 /nfs/dbraw/zinc/33/97/34/1440339734.db2.gz SMYYAAISNQZCOL-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CC[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001753275664 1440346095 /nfs/dbraw/zinc/34/60/95/1440346095.db2.gz YNFCJBIOWWEFPK-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001753303232 1440354800 /nfs/dbraw/zinc/35/48/00/1440354800.db2.gz UIJJXBMAXSVFQC-FQEVSTJZSA-N 2 0 339.483 3.217 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001753319713 1440362366 /nfs/dbraw/zinc/36/23/66/1440362366.db2.gz LDMYSZAAAGLMBX-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001753331438 1440369767 /nfs/dbraw/zinc/36/97/67/1440369767.db2.gz UDKBZKQNXGSCCO-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753341123 1440375610 /nfs/dbraw/zinc/37/56/10/1440375610.db2.gz RCHXZNBVIZHNNP-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753361023 1440382659 /nfs/dbraw/zinc/38/26/59/1440382659.db2.gz VAGIPEKINBRJSC-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753416702 1440394655 /nfs/dbraw/zinc/39/46/55/1440394655.db2.gz DLVARZIZVNVVOJ-KRWDZBQOSA-N 2 0 345.531 3.092 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001753459484 1440409952 /nfs/dbraw/zinc/40/99/52/1440409952.db2.gz OFMMXTHVOWYULI-AZUAARDMSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]CC2=CCCCC2)C1 ZINC001753484097 1440417351 /nfs/dbraw/zinc/41/73/51/1440417351.db2.gz MSRVRERBHWWYNW-MOPGFXCFSA-N 2 0 335.536 3.093 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001753527995 1440430201 /nfs/dbraw/zinc/43/02/01/1440430201.db2.gz KKXYYWWSFFLOJO-NQIIRXRSSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)c1 ZINC001753536304 1440432717 /nfs/dbraw/zinc/43/27/17/1440432717.db2.gz SCJUYTPWJOULMC-RXVVDRJESA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001753560814 1440436815 /nfs/dbraw/zinc/43/68/15/1440436815.db2.gz GCHHWAYSVRMHSS-OALUTQOASA-N 2 0 343.515 3.062 20 0 EGADRP Cc1cccc(C[NH+]2CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001753599727 1440446108 /nfs/dbraw/zinc/44/61/08/1440446108.db2.gz KIQZOACEQTVPKH-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001753612556 1440449228 /nfs/dbraw/zinc/44/92/28/1440449228.db2.gz HXAYCLFCWIWNPP-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CCC(C)(C)C ZINC001753632291 1440452486 /nfs/dbraw/zinc/45/24/86/1440452486.db2.gz LGYDIQLDBJDSMB-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001753632181 1440452313 /nfs/dbraw/zinc/45/23/13/1440452313.db2.gz ITCMXSOSYZAQKL-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753664242 1440459711 /nfs/dbraw/zinc/45/97/11/1440459711.db2.gz RKWQDXDGPOZCRA-IBGZPJMESA-N 2 0 347.547 3.212 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753701838 1440468685 /nfs/dbraw/zinc/46/86/85/1440468685.db2.gz SGJUYEKMVGKJIF-HOTGVXAUSA-N 2 0 325.541 3.122 20 0 EGADRP CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753739028 1440478626 /nfs/dbraw/zinc/47/86/26/1440478626.db2.gz VDCVNOYZAHLGIW-IHPCNDPISA-N 2 0 345.531 3.037 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001753764117 1440484523 /nfs/dbraw/zinc/48/45/23/1440484523.db2.gz ZZUXIDQJKRYCAB-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001753786597 1440488184 /nfs/dbraw/zinc/48/81/84/1440488184.db2.gz RJMSIHSJIFVENH-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753798577 1440490354 /nfs/dbraw/zinc/49/03/54/1440490354.db2.gz YLEYCYDCNFAEOE-PRPIBZDOSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753816585 1440494217 /nfs/dbraw/zinc/49/42/17/1440494217.db2.gz RVSQPUJXTUZPSQ-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001753821775 1440496506 /nfs/dbraw/zinc/49/65/06/1440496506.db2.gz QSZRZIUJBHECHP-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[NH2+]CCCC2CCCC2)ccc2c[nH+]cn21 ZINC001754273960 1440561949 /nfs/dbraw/zinc/56/19/49/1440561949.db2.gz MRTKYZFGCXQUGM-HNNXBMFYSA-N 2 0 342.487 3.321 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001754289987 1440564797 /nfs/dbraw/zinc/56/47/97/1440564797.db2.gz ZNBXTXDMNBJVIH-SFHVURJKSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001754315998 1440575465 /nfs/dbraw/zinc/57/54/65/1440575465.db2.gz LUMOXKCOPZUHQR-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001754407796 1440595909 /nfs/dbraw/zinc/59/59/09/1440595909.db2.gz MKLNOSZHTGVCSG-RTBURBONSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001754452638 1440601495 /nfs/dbraw/zinc/60/14/95/1440601495.db2.gz HAWCQOOUQKLIRC-RTBURBONSA-N 2 0 349.563 3.170 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001754534994 1440623984 /nfs/dbraw/zinc/62/39/84/1440623984.db2.gz BUAMFJAVEWRNGJ-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001754557221 1440632036 /nfs/dbraw/zinc/63/20/36/1440632036.db2.gz NIQILPUOHSVGDW-PZJWPPBQSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754557153 1440632150 /nfs/dbraw/zinc/63/21/50/1440632150.db2.gz MZUPYYWDIWZNEY-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001754558214 1440632489 /nfs/dbraw/zinc/63/24/89/1440632489.db2.gz ZRIGEVSNNKXHSL-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001754601931 1440642575 /nfs/dbraw/zinc/64/25/75/1440642575.db2.gz WQJDCTFVRBDAKQ-IIMPKJCBSA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001754601302 1440642624 /nfs/dbraw/zinc/64/26/24/1440642624.db2.gz NVAQTDNHELKNJV-LPHOPBHVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001754604876 1440642973 /nfs/dbraw/zinc/64/29/73/1440642973.db2.gz SHFNNYYHXSTOBE-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754617220 1440644714 /nfs/dbraw/zinc/64/47/14/1440644714.db2.gz IUWDDIQEDHBXNT-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001754619534 1440645083 /nfs/dbraw/zinc/64/50/83/1440645083.db2.gz AMUNIKQXWROZSD-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)C1 ZINC001754628972 1440647224 /nfs/dbraw/zinc/64/72/24/1440647224.db2.gz MJXDDJNTZGVRCW-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001754631183 1440647783 /nfs/dbraw/zinc/64/77/83/1440647783.db2.gz LEPKRTLVTCTGQI-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001754653959 1440652889 /nfs/dbraw/zinc/65/28/89/1440652889.db2.gz JQHVXEHAJBNVAC-HKUYNNGSSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001754660452 1440654712 /nfs/dbraw/zinc/65/47/12/1440654712.db2.gz XLXALMWOCJNUNL-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754798358 1440690021 /nfs/dbraw/zinc/69/00/21/1440690021.db2.gz YJYUPCDWAXJNQP-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001754806622 1440691308 /nfs/dbraw/zinc/69/13/08/1440691308.db2.gz FTORMQMBWRQJEZ-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754866959 1440703235 /nfs/dbraw/zinc/70/32/35/1440703235.db2.gz GCCXKXHTRYMPRD-VNTMZGSJSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H](F)C[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001754948169 1440713956 /nfs/dbraw/zinc/71/39/56/1440713956.db2.gz FZBGJBGHHWYVET-DNVCBOLYSA-N 2 0 349.494 3.043 20 0 EGADRP C[C@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001754947999 1440713994 /nfs/dbraw/zinc/71/39/94/1440713994.db2.gz DPBYCHGITHGHTN-ICSVTGKESA-N 2 0 349.906 3.048 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001754961695 1440717818 /nfs/dbraw/zinc/71/78/18/1440717818.db2.gz CRJMQGDXCYDWCO-VOFKWLDRSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001754988022 1440723420 /nfs/dbraw/zinc/72/34/20/1440723420.db2.gz OOXSZDPEBPJBQM-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754988237 1440723505 /nfs/dbraw/zinc/72/35/05/1440723505.db2.gz WGXUFTDLJCVNBV-OALUTQOASA-N 2 0 347.547 3.212 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001755024681 1440728169 /nfs/dbraw/zinc/72/81/69/1440728169.db2.gz GILPZKBVAUONQF-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001755024562 1440728226 /nfs/dbraw/zinc/72/82/26/1440728226.db2.gz CRYPFVPQHZDYKP-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1)C1CCC1 ZINC001755025598 1440728743 /nfs/dbraw/zinc/72/87/43/1440728743.db2.gz XMTCTHCEJWTNBS-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027591 1440729701 /nfs/dbraw/zinc/72/97/01/1440729701.db2.gz CHMJGWZAQGYSAO-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001755030333 1440731216 /nfs/dbraw/zinc/73/12/16/1440731216.db2.gz XZNPWCWQHSFAEU-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755034435 1440733488 /nfs/dbraw/zinc/73/34/88/1440733488.db2.gz RAKWKKLTVWCDDJ-OALUTQOASA-N 2 0 345.531 3.367 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755043323 1440738826 /nfs/dbraw/zinc/73/88/26/1440738826.db2.gz RWZGIUNIKPIHOK-IAGOWNOFSA-N 2 0 349.494 3.009 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755043346 1440738832 /nfs/dbraw/zinc/73/88/32/1440738832.db2.gz SNIWQPJOKFDENV-QUCCMNQESA-N 2 0 345.531 3.260 20 0 EGADRP CCC1([NH2+]CC2CC2)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755070505 1440746443 /nfs/dbraw/zinc/74/64/43/1440746443.db2.gz JJIZHKHDUDMXEA-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001755071726 1440746715 /nfs/dbraw/zinc/74/67/15/1440746715.db2.gz DXGVVJXEPYJMHD-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC1([NH2+]CC2CCCC2)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755071787 1440746934 /nfs/dbraw/zinc/74/69/34/1440746934.db2.gz GSUSRNIIHZVUGQ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001755079313 1440750241 /nfs/dbraw/zinc/75/02/41/1440750241.db2.gz HYALWWBPFAVMBM-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755130970 1440757126 /nfs/dbraw/zinc/75/71/26/1440757126.db2.gz YGUIYYAVCMEBQT-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001755135569 1440758049 /nfs/dbraw/zinc/75/80/49/1440758049.db2.gz VDFAUYZWJPNENY-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142690 1440761621 /nfs/dbraw/zinc/76/16/21/1440761621.db2.gz DNIFJEKSAZAUGJ-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001755197011 1440777462 /nfs/dbraw/zinc/77/74/62/1440777462.db2.gz DYAOTVCJSIKWGS-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)(C)C)[NH+](CC)CC ZINC001755198802 1440778513 /nfs/dbraw/zinc/77/85/13/1440778513.db2.gz HRLNKTHADZVLJB-MSOLQXFVSA-N 2 0 339.568 3.466 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755201058 1440779646 /nfs/dbraw/zinc/77/96/46/1440779646.db2.gz OYXKTEHJPXROSJ-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001755209096 1440782752 /nfs/dbraw/zinc/78/27/52/1440782752.db2.gz IJPIVBCDHGXMJT-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001755237236 1440788566 /nfs/dbraw/zinc/78/85/66/1440788566.db2.gz LYGCCTQDZOSPSD-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H]([NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001755275284 1440798780 /nfs/dbraw/zinc/79/87/80/1440798780.db2.gz SVQQUQQWRMDBPZ-MNNVXMFVSA-N 2 0 349.494 3.198 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001755368933 1440836409 /nfs/dbraw/zinc/83/64/09/1440836409.db2.gz YFLGPXYHRBYMKR-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001755382427 1440839715 /nfs/dbraw/zinc/83/97/15/1440839715.db2.gz NUBBVXIZIGXVMU-QGZVFWFLSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755390480 1440841900 /nfs/dbraw/zinc/84/19/00/1440841900.db2.gz SCJWMWKECXPYTN-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CCC2CCCCCC2)CC1(C)C ZINC001755413971 1440847825 /nfs/dbraw/zinc/84/78/25/1440847825.db2.gz NGOZYYOQTYYTCL-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1 ZINC001755453590 1440854534 /nfs/dbraw/zinc/85/45/34/1440854534.db2.gz QOAPFQXWGSFSOD-HSALFYBXSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001755482205 1440860335 /nfs/dbraw/zinc/86/03/35/1440860335.db2.gz MGJUAQPOHARUJM-IYARVYRRSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCC1CCCC1 ZINC001755552425 1440872410 /nfs/dbraw/zinc/87/24/10/1440872410.db2.gz LPXYFNNIMLYJRN-CTNGQTDRSA-N 2 0 349.563 3.173 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001755565214 1440875554 /nfs/dbraw/zinc/87/55/54/1440875554.db2.gz UXGHQMUWPPGHEP-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H](C[NH2+]CCCC2CCC2)C2CC2)CC[N@@H+]1C ZINC001755566283 1440875945 /nfs/dbraw/zinc/87/59/45/1440875945.db2.gz QCDIMXCXZRZDPC-VDGAXYAQSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755588263 1440880825 /nfs/dbraw/zinc/88/08/25/1440880825.db2.gz VNZFTNUKYFTXGN-ROUUACIJSA-N 2 0 335.536 3.044 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001755619068 1440890018 /nfs/dbraw/zinc/89/00/18/1440890018.db2.gz TXJYLPNHUXJCEO-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C)cc1 ZINC001755665480 1440893309 /nfs/dbraw/zinc/89/33/09/1440893309.db2.gz WZALGBQFGSJORV-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001755667362 1440893612 /nfs/dbraw/zinc/89/36/12/1440893612.db2.gz TXSUZAZJDLZLCR-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755686195 1440895940 /nfs/dbraw/zinc/89/59/40/1440895940.db2.gz HTIFMJUXNKMMPP-AEFFLSMTSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001755704838 1440902021 /nfs/dbraw/zinc/90/20/21/1440902021.db2.gz QVWVILBCIUDYFB-UYAOXDASSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001755738551 1440911297 /nfs/dbraw/zinc/91/12/97/1440911297.db2.gz UKMBRFZKHQQEBR-DUFJLWIISA-N 2 0 347.547 3.093 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001755749610 1440913028 /nfs/dbraw/zinc/91/30/28/1440913028.db2.gz LPXUNBCXDCWTRP-OALUTQOASA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)CC[N@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001755815390 1440923287 /nfs/dbraw/zinc/92/32/87/1440923287.db2.gz JRXPPJKSEHFHHN-QZTJIDSGSA-N 2 0 325.541 3.074 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001755834016 1440929578 /nfs/dbraw/zinc/92/95/78/1440929578.db2.gz UQAFXSVKPTUPHX-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001755835530 1440930039 /nfs/dbraw/zinc/93/00/39/1440930039.db2.gz WRDPEIRRGYQEMA-SFHVURJKSA-N 2 0 333.520 3.282 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)c1 ZINC001755839327 1440931259 /nfs/dbraw/zinc/93/12/59/1440931259.db2.gz JYBCGRIZSKSVED-LJQANCHMSA-N 2 0 347.547 3.264 20 0 EGADRP CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001755849039 1440934462 /nfs/dbraw/zinc/93/44/62/1440934462.db2.gz VVEGVGNJMJNVGG-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001755869585 1440938786 /nfs/dbraw/zinc/93/87/86/1440938786.db2.gz KUCAYUXWNBTBPM-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)nc1 ZINC001164619555 719124398 /nfs/dbraw/zinc/12/43/98/719124398.db2.gz FERNKCYRKSYTNA-FGTMMUONSA-N 2 0 346.494 3.142 20 0 EGADRP Cc1[nH+]c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc2[nH]ccc21 ZINC001164727638 720425089 /nfs/dbraw/zinc/42/50/89/720425089.db2.gz DTHZDVMKXBQQKD-RTBURBONSA-N 2 0 333.439 3.120 20 0 EGADRP Cc1ccc(CCC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000181648521 234267021 /nfs/dbraw/zinc/26/70/21/234267021.db2.gz XKCRUGWWXNHRDR-NHCUHLMSSA-N 2 0 343.559 3.418 20 0 EGADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000184380636 235382006 /nfs/dbraw/zinc/38/20/06/235382006.db2.gz QNNZJOCBEZNDKN-QGZVFWFLSA-N 2 0 339.483 3.198 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000269300304 283187983 /nfs/dbraw/zinc/18/79/83/283187983.db2.gz XJKLHHISMCDCLR-VQIMIIECSA-N 2 0 331.504 3.118 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCS2 ZINC000187278751 236166456 /nfs/dbraw/zinc/16/64/56/236166456.db2.gz YHQXQZWLUFUGFZ-LJQANCHMSA-N 2 0 347.572 3.456 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000357780471 283319390 /nfs/dbraw/zinc/31/93/90/283319390.db2.gz VXXNFYMPPQPKMS-SJLPKXTDSA-N 2 0 349.544 3.156 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000079303716 299323888 /nfs/dbraw/zinc/32/38/88/299323888.db2.gz NHZGFLJWRVSLNJ-SJORKVTESA-N 2 0 345.531 3.311 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209591 201248480 /nfs/dbraw/zinc/24/84/80/201248480.db2.gz PZCONSSUSVHLAL-AEFFLSMTSA-N 2 0 347.503 3.011 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209593 201249519 /nfs/dbraw/zinc/24/95/19/201249519.db2.gz PZCONSSUSVHLAL-SJLPKXTDSA-N 2 0 347.503 3.011 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272332332 201251251 /nfs/dbraw/zinc/25/12/51/201251251.db2.gz NEORSPMJMRHIHI-BXWFABGCSA-N 2 0 326.488 3.290 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668543 201252139 /nfs/dbraw/zinc/25/21/39/201252139.db2.gz OVGFCDFZZOJCOS-MJUUVYJYSA-N 2 0 327.516 3.113 20 0 EGADRP Cc1cc(C)n(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000274852137 201272128 /nfs/dbraw/zinc/27/21/28/201272128.db2.gz REIDNKXTSAXMOZ-UZLBHIALSA-N 2 0 326.488 3.000 20 0 EGADRP c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc(C[NH+]2CCCC2)c1 ZINC000193957265 240380487 /nfs/dbraw/zinc/38/04/87/240380487.db2.gz ADTNOPQGQXWJLW-VAMGGRTRSA-N 2 0 326.484 3.330 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000236655186 242307688 /nfs/dbraw/zinc/30/76/88/242307688.db2.gz IACDGFBRZYTGCY-FQEVSTJZSA-N 2 0 339.483 3.233 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000263263077 291405759 /nfs/dbraw/zinc/40/57/59/291405759.db2.gz RFJIERBXDDWBAD-GGPKGHCWSA-N 2 0 335.536 3.009 20 0 EGADRP Cn1cncc1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106487085 204199044 /nfs/dbraw/zinc/19/90/44/204199044.db2.gz WSPKEVOUAQXVBD-UHFFFAOYSA-N 2 0 332.879 3.075 20 0 EGADRP Cn1cncc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000109350679 204281505 /nfs/dbraw/zinc/28/15/05/204281505.db2.gz RGCFYDUSBZYLHV-UHFFFAOYSA-N 2 0 340.515 3.245 20 0 EGADRP c1c[nH]c([C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)n1 ZINC000127802024 205119377 /nfs/dbraw/zinc/11/93/77/205119377.db2.gz MDEVVDUYQUIIRN-FQEVSTJZSA-N 2 0 347.466 3.400 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000127422127 205100684 /nfs/dbraw/zinc/10/06/84/205100684.db2.gz MBRPIEGGTWIMEY-CHWSQXEVSA-N 2 0 330.303 3.280 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000129301766 205188618 /nfs/dbraw/zinc/18/86/18/205188618.db2.gz LKDZVCHBENTKJL-BBRMVZONSA-N 2 0 330.394 3.338 20 0 EGADRP Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000130662410 205250431 /nfs/dbraw/zinc/25/04/31/205250431.db2.gz CIHHBCGUJFOHQJ-UTKZUKDTSA-N 2 0 342.483 3.320 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132509716 205329224 /nfs/dbraw/zinc/32/92/24/205329224.db2.gz HPHNWBQVFHTERJ-LVCYWYKZSA-N 2 0 347.547 3.049 20 0 EGADRP CCOc1cc(CCC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000133896866 205383229 /nfs/dbraw/zinc/38/32/29/205383229.db2.gz JJYFMUIPQBIICR-AEFFLSMTSA-N 2 0 334.504 3.346 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000150978964 205600547 /nfs/dbraw/zinc/60/05/47/205600547.db2.gz RBTCQSGVOHPUAF-CYBMUJFWSA-N 2 0 327.875 3.156 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cncs1 ZINC000156078217 206054128 /nfs/dbraw/zinc/05/41/28/206054128.db2.gz GOFVXWPNDAIEIZ-KRWDZBQOSA-N 2 0 344.528 3.396 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccn1 ZINC000158815167 206212159 /nfs/dbraw/zinc/21/21/59/206212159.db2.gz YOZOAFOWJCUSAD-LJQANCHMSA-N 2 0 338.499 3.335 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(C)c1 ZINC000159183066 206229884 /nfs/dbraw/zinc/22/98/84/206229884.db2.gz IXHOXIAUQAKTDM-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119956913 284606827 /nfs/dbraw/zinc/60/68/27/284606827.db2.gz YALKQUUSTUZETP-CVEARBPZSA-N 2 0 340.533 3.251 20 0 EGADRP [NH3+][C@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000378197853 169083284 /nfs/dbraw/zinc/08/32/84/169083284.db2.gz DABRYKICCXXFFL-HXUWFJFHSA-N 2 0 343.515 3.237 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000177293930 207316900 /nfs/dbraw/zinc/31/69/00/207316900.db2.gz FDDUJWCVNNGSLG-ZWKOTPCHSA-N 2 0 325.500 3.374 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1sccc1Cl ZINC000349071708 285251026 /nfs/dbraw/zinc/25/10/26/285251026.db2.gz GYCJLBXHDHRPKU-CQSZACIVSA-N 2 0 329.941 3.249 20 0 EGADRP COc1ccccc1C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)C ZINC000268905474 255492315 /nfs/dbraw/zinc/49/23/15/255492315.db2.gz LVACEYREBDMYTO-UXHICEINSA-N 2 0 348.531 3.089 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181704021 533428024 /nfs/dbraw/zinc/42/80/24/533428024.db2.gz LLKMTRFWKNUDCL-UONOGXRCSA-N 2 0 335.879 3.373 20 0 EGADRP CC1(C)C[C@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)C[N@@H+]1Cc1ccccc1 ZINC000677803943 549333722 /nfs/dbraw/zinc/33/37/22/549333722.db2.gz CBJJYZJESZWFME-XUVXKRRUSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H](CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000237605492 141010220 /nfs/dbraw/zinc/01/02/20/141010220.db2.gz CLYNUUWCTUTOJD-IAGOWNOFSA-N 2 0 345.531 3.258 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+](CC)C2)cc1)C1CC1 ZINC000338066754 141086503 /nfs/dbraw/zinc/08/65/03/141086503.db2.gz GMNBPJJYNXLAKC-GOSISDBHSA-N 2 0 343.515 3.133 20 0 EGADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc2cccnc12 ZINC000346222597 141184311 /nfs/dbraw/zinc/18/43/11/141184311.db2.gz PELTVBDYYRQTGA-XUVXKRRUSA-N 2 0 339.483 3.227 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C[NH+](CC)CC)C1)[N@H+](C)Cc1ccccc1 ZINC000354572480 141308535 /nfs/dbraw/zinc/30/85/35/141308535.db2.gz IDYAWSCWTCSIHV-VQTJNVASSA-N 2 0 345.531 3.087 20 0 EGADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000186486673 144135036 /nfs/dbraw/zinc/13/50/36/144135036.db2.gz DDTUFUQOYMAHEJ-OXQOHEQNSA-N 2 0 339.483 3.169 20 0 EGADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC1 ZINC000343217943 144195682 /nfs/dbraw/zinc/19/56/82/144195682.db2.gz BSKWWMICAXASOU-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344621572 144200692 /nfs/dbraw/zinc/20/06/92/144200692.db2.gz GHEBXGMYPWVGOF-CXAGYDPISA-N 2 0 332.879 3.406 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403303 144264209 /nfs/dbraw/zinc/26/42/09/144264209.db2.gz CQCRMFWRNYKIOT-NHCUHLMSSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@H](CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000351495401 144269185 /nfs/dbraw/zinc/26/91/85/144269185.db2.gz TWPUCQDHHRTAFF-XWSJACJDSA-N 2 0 345.531 3.275 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1Cl ZINC000363786254 144366513 /nfs/dbraw/zinc/36/65/13/144366513.db2.gz QUTUYZVBQKLIGL-UKRRQHHQSA-N 2 0 339.886 3.298 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180464570 292205203 /nfs/dbraw/zinc/20/52/03/292205203.db2.gz WTKMIHYLCOHITJ-KNQAVFIVSA-N 2 0 337.511 3.310 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868532 152159252 /nfs/dbraw/zinc/15/92/52/152159252.db2.gz VTQLUTWNPFSCNM-CQSZACIVSA-N 2 0 337.895 3.331 20 0 EGADRP Cc1cc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)ccn1 ZINC000119311389 152192758 /nfs/dbraw/zinc/19/27/58/152192758.db2.gz ZYONMMZJNJBUCX-UHFFFAOYSA-N 2 0 326.444 3.422 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120843478 152304284 /nfs/dbraw/zinc/30/42/84/152304284.db2.gz YVFMWJKCYMSTBK-GJZGRUSLSA-N 2 0 338.565 3.109 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000155626915 152634147 /nfs/dbraw/zinc/63/41/47/152634147.db2.gz YKCSEHAZHSZRPP-DLBZAZTESA-N 2 0 335.561 3.475 20 0 EGADRP CCN(C)c1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000191603511 153210095 /nfs/dbraw/zinc/21/00/95/153210095.db2.gz XMLBBGWYDDBPCG-PXNSSMCTSA-N 2 0 338.499 3.148 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000262030792 153767278 /nfs/dbraw/zinc/76/72/78/153767278.db2.gz XCVRFVVBJWJWIN-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000262635556 153839391 /nfs/dbraw/zinc/83/93/91/153839391.db2.gz HLYGZTVNNINGMC-XUBOLADHSA-N 2 0 347.547 3.022 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000310068884 154139034 /nfs/dbraw/zinc/13/90/34/154139034.db2.gz CPRGLIIOIZLCOQ-VQTJNVASSA-N 2 0 328.500 3.447 20 0 EGADRP Cc1ncsc1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310456941 154142469 /nfs/dbraw/zinc/14/24/69/154142469.db2.gz ZLIQBYPERXVPBU-RBUKOAKNSA-N 2 0 341.524 3.448 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000342778267 155519327 /nfs/dbraw/zinc/51/93/27/155519327.db2.gz CKCHUOLKUCOMBL-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368684670 157263648 /nfs/dbraw/zinc/26/36/48/157263648.db2.gz WMFMEMGOJLQWKI-GOSISDBHSA-N 2 0 341.846 3.478 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093397840 162008168 /nfs/dbraw/zinc/00/81/68/162008168.db2.gz BNXKQJFMYOUFGQ-HKUYNNGSSA-N 2 0 333.520 3.070 20 0 EGADRP CN(c1ccccc1C[N@H+](C)Cc1cccn1C)C1CC[NH+](C)CC1 ZINC000093584649 162014597 /nfs/dbraw/zinc/01/45/97/162014597.db2.gz RLJXZDVTOKHEHW-UHFFFAOYSA-N 2 0 340.515 3.188 20 0 EGADRP Cc1ncsc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093844431 162029541 /nfs/dbraw/zinc/02/95/41/162029541.db2.gz XGXCTFAWASEXHQ-HUUCEWRRSA-N 2 0 337.533 3.163 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000109786265 162111724 /nfs/dbraw/zinc/11/17/24/162111724.db2.gz CUPZLEJLKZMRKJ-UHFFFAOYSA-N 2 0 337.895 3.475 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000110975400 162140206 /nfs/dbraw/zinc/14/02/06/162140206.db2.gz NXVPKMRHHSMDGJ-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000114275244 162226243 /nfs/dbraw/zinc/22/62/43/162226243.db2.gz WCKXELQJYRYJCP-KRWDZBQOSA-N 2 0 347.503 3.220 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](COC)C2CC2)CC1 ZINC000127300292 162328701 /nfs/dbraw/zinc/32/87/01/162328701.db2.gz XUTYPZGBRFTHEG-HNAYVOBHSA-N 2 0 349.494 3.043 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000248416701 163003060 /nfs/dbraw/zinc/00/30/60/163003060.db2.gz PYJITEAZPIEGKJ-SSSFQFABSA-N 2 0 328.500 3.038 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000354329580 166003685 /nfs/dbraw/zinc/00/36/85/166003685.db2.gz SDCRDABYKGJOED-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)CCC[NH+]1CCCC1 ZINC000337269823 163188595 /nfs/dbraw/zinc/18/85/95/163188595.db2.gz MHCIMXXIZPOPLV-QZTJIDSGSA-N 2 0 343.515 3.161 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000338439303 163226586 /nfs/dbraw/zinc/22/65/86/163226586.db2.gz XCQZYMWNPVWYIO-KRWDZBQOSA-N 2 0 326.488 3.217 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338582886 163282725 /nfs/dbraw/zinc/28/27/25/163282725.db2.gz UJHSNDOBZDUONM-ZWKOTPCHSA-N 2 0 343.515 3.133 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccc21 ZINC000338790229 163349468 /nfs/dbraw/zinc/34/94/68/163349468.db2.gz WTOKXQJUIXFUED-RTBURBONSA-N 2 0 330.472 3.100 20 0 EGADRP CC(C)[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354708373 166015631 /nfs/dbraw/zinc/01/56/31/166015631.db2.gz PFFIXTKICBNLQK-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000340276529 163529751 /nfs/dbraw/zinc/52/97/51/163529751.db2.gz GGXYSTUQIUJZKK-BFYDXBDKSA-N 2 0 330.463 3.243 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342742369 163954819 /nfs/dbraw/zinc/95/48/19/163954819.db2.gz XGDMWDCZFHCQMH-QRVBRYPASA-N 2 0 334.504 3.179 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745225 164024552 /nfs/dbraw/zinc/02/45/52/164024552.db2.gz RZAODEBTLRCXQI-QFBILLFUSA-N 2 0 347.478 3.127 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000165275089 287034621 /nfs/dbraw/zinc/03/46/21/287034621.db2.gz VCZJAUNOHRIUIQ-JKSUJKDBSA-N 2 0 344.503 3.353 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000343767871 164030049 /nfs/dbraw/zinc/03/00/49/164030049.db2.gz IAPMVIUQKMNWBE-GGPKGHCWSA-N 2 0 343.515 3.030 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798088 164036899 /nfs/dbraw/zinc/03/68/99/164036899.db2.gz OWMGNBWZVXCPQS-HNNXBMFYSA-N 2 0 338.879 3.417 20 0 EGADRP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343806809 164039258 /nfs/dbraw/zinc/03/92/58/164039258.db2.gz FHJRDXAQAWQWEC-FPOVZHCZSA-N 2 0 330.516 3.382 20 0 EGADRP CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000345792090 164266810 /nfs/dbraw/zinc/26/68/10/164266810.db2.gz GKESCVITWKGUEP-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000345792078 164267279 /nfs/dbraw/zinc/26/72/79/164267279.db2.gz GKESCVITWKGUEP-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000345928526 164296956 /nfs/dbraw/zinc/29/69/56/164296956.db2.gz HIRQLDFELBVIDK-UHFFFAOYSA-N 2 0 339.483 3.000 20 0 EGADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000347575614 164524086 /nfs/dbraw/zinc/52/40/86/164524086.db2.gz XKBUYBAPTJHXCT-FQEVSTJZSA-N 2 0 343.515 3.236 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(OC(F)F)c1 ZINC000350145321 165011511 /nfs/dbraw/zinc/01/15/11/165011511.db2.gz GZMAVEDGSIFSIP-UHFFFAOYSA-N 2 0 328.403 3.070 20 0 EGADRP CC[NH+]1CCN(c2ccccc2CN(C)Cc2cnc(C)s2)CC1 ZINC000352297767 165330200 /nfs/dbraw/zinc/33/02/00/165330200.db2.gz OQRAJJBEUWHHMU-UHFFFAOYSA-N 2 0 344.528 3.225 20 0 EGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000358387640 166849425 /nfs/dbraw/zinc/84/94/25/166849425.db2.gz UCMVCMOXKSZTAY-VQIMIIECSA-N 2 0 330.520 3.435 20 0 EGADRP [NH3+]CCC[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000359455742 167161464 /nfs/dbraw/zinc/16/14/64/167161464.db2.gz DTJCEDNTDWSZOV-UHFFFAOYSA-N 2 0 326.469 3.285 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000359505389 167174891 /nfs/dbraw/zinc/17/48/91/167174891.db2.gz AUYJDTUGJQJSKH-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]CC3(OC)CCCC3)CC2)cc1 ZINC000359721554 167213833 /nfs/dbraw/zinc/21/38/33/167213833.db2.gz OPFORMHWQBFZBC-UHFFFAOYSA-N 2 0 346.515 3.456 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N(C(C)C)C(C)C)CC1 ZINC000359876816 167255342 /nfs/dbraw/zinc/25/53/42/167255342.db2.gz PGLJBFAANLGNMN-UHFFFAOYSA-N 2 0 339.568 3.466 20 0 EGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360233029 167277249 /nfs/dbraw/zinc/27/72/49/167277249.db2.gz DTPRTGCIUZEIRA-CVEARBPZSA-N 2 0 342.936 3.257 20 0 EGADRP Fc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367966864 168290262 /nfs/dbraw/zinc/29/02/62/168290262.db2.gz RWUQVKYQEYRORF-RBUKOAKNSA-N 2 0 325.431 3.175 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000677845487 549341087 /nfs/dbraw/zinc/34/10/87/549341087.db2.gz GQPUBHVRRAXQRV-LPHOPBHVSA-N 2 0 333.907 3.085 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000123970982 222359724 /nfs/dbraw/zinc/35/97/24/222359724.db2.gz ZUCBSULEVJGXNM-LBPRGKRZSA-N 2 0 348.293 3.421 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000174173412 265029450 /nfs/dbraw/zinc/02/94/50/265029450.db2.gz JUSXRUKGYZQUSM-KGLIPLIRSA-N 2 0 346.393 3.379 20 0 EGADRP COc1ccc2oc(C[NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2c1 ZINC000179297447 265370858 /nfs/dbraw/zinc/37/08/58/265370858.db2.gz YJGPNDUAWZHNQL-HOTGVXAUSA-N 2 0 346.471 3.420 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000195132876 266162889 /nfs/dbraw/zinc/16/28/89/266162889.db2.gz AVDVWEZQTJFJOV-SLFFLAALSA-N 2 0 328.500 3.446 20 0 EGADRP CCc1ccc(CC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000269608467 266324301 /nfs/dbraw/zinc/32/43/01/266324301.db2.gz AOWROJCHBOSJTD-UHFFFAOYSA-N 2 0 343.559 3.282 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270944128 266578905 /nfs/dbraw/zinc/57/89/05/266578905.db2.gz RWMXZLSGBQVXPO-UHFFFAOYSA-N 2 0 345.531 3.076 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000273309259 267016619 /nfs/dbraw/zinc/01/66/19/267016619.db2.gz WFQXTAZZNCCVQN-GJZGRUSLSA-N 2 0 337.533 3.168 20 0 EGADRP CC[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[NH+](CC)CC ZINC000274081735 267177455 /nfs/dbraw/zinc/17/74/55/267177455.db2.gz RCQHYGBHLCDFDG-IBGZPJMESA-N 2 0 346.519 3.252 20 0 EGADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000274599357 267260821 /nfs/dbraw/zinc/26/08/21/267260821.db2.gz HHQLGMQGLVJYIR-UZLBHIALSA-N 2 0 339.483 3.169 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C[C@@H]3CCSC3)CC2)c1 ZINC000278389225 268002016 /nfs/dbraw/zinc/00/20/16/268002016.db2.gz MIKBBLIJEUNJME-IBGZPJMESA-N 2 0 347.572 3.240 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895874 274339925 /nfs/dbraw/zinc/33/99/25/274339925.db2.gz FAPXZPGYVLJTOU-IAVZTARUSA-N 2 0 329.532 3.358 20 0 EGADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374323694 274358063 /nfs/dbraw/zinc/35/80/63/274358063.db2.gz JCEYVCMOPFORHG-MAODMQOUSA-N 2 0 345.506 3.161 20 0 EGADRP OC1CC[NH+](CCC[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000193276190 275045423 /nfs/dbraw/zinc/04/54/23/275045423.db2.gz OBUXJBRQYWEJBY-UHFFFAOYSA-N 2 0 345.314 3.362 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1Br ZINC000044516521 275131734 /nfs/dbraw/zinc/13/17/34/275131734.db2.gz VTVDKMZBRQTOQL-GFCCVEGCSA-N 2 0 341.293 3.450 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188614636 275218720 /nfs/dbraw/zinc/21/87/20/275218720.db2.gz WVRDSVGQTFQZJT-CZUORRHYSA-N 2 0 336.442 3.323 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279221796 275313854 /nfs/dbraw/zinc/31/38/54/275313854.db2.gz CWQNQIUXBLACOB-RTWAWAEBSA-N 2 0 326.484 3.159 20 0 EGADRP Cc1cnn(C)c1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000286444668 276001841 /nfs/dbraw/zinc/00/18/41/276001841.db2.gz JLRARYSEJDIWKW-UHFFFAOYSA-N 2 0 346.906 3.384 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000151135440 276013807 /nfs/dbraw/zinc/01/38/07/276013807.db2.gz CLAQEGPDXGTZNC-BQJIDLTASA-N 2 0 341.499 3.141 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000286978317 276065783 /nfs/dbraw/zinc/06/57/83/276065783.db2.gz IWFXWFWQCFPSOQ-KPFFTGBYSA-N 2 0 333.520 3.149 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000348376159 276109103 /nfs/dbraw/zinc/10/91/03/276109103.db2.gz JPEGODQGTFPDLT-MJGOQNOKSA-N 2 0 343.519 3.267 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c2cccs2)CC1 ZINC000164020101 276199577 /nfs/dbraw/zinc/19/95/77/276199577.db2.gz QRMVACHTRYTJFA-GDBMZVCRSA-N 2 0 337.533 3.011 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358426401 276360779 /nfs/dbraw/zinc/36/07/79/276360779.db2.gz MSMHUCYYTAYQDN-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1 ZINC000290015685 276434412 /nfs/dbraw/zinc/43/44/12/276434412.db2.gz BWRBKDUINZZHJE-OAHLLOKOSA-N 2 0 331.435 3.402 20 0 EGADRP C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000290418388 276493076 /nfs/dbraw/zinc/49/30/76/276493076.db2.gz UPQMKMDQLLNDSI-WMZOPIPTSA-N 2 0 340.467 3.454 20 0 EGADRP CO[C@]1(C)CCC[N@H+](C/C=C/C[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377206859 277358560 /nfs/dbraw/zinc/35/85/60/277358560.db2.gz AHAKANWSVSDGQI-VGIQHARFSA-N 2 0 338.536 3.325 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000356842526 279496644 /nfs/dbraw/zinc/49/66/44/279496644.db2.gz GSDNYURBAIJHQV-YESZJQIVSA-N 2 0 349.494 3.043 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346552816 279898589 /nfs/dbraw/zinc/89/85/89/279898589.db2.gz JEUQXTVNUJIDBC-QUCCMNQESA-N 2 0 345.462 3.257 20 0 EGADRP O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262054099 280302914 /nfs/dbraw/zinc/30/29/14/280302914.db2.gz ZXSHYFQLJKIVGI-ACJLOTCBSA-N 2 0 347.890 3.087 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371317354 281304328 /nfs/dbraw/zinc/30/43/28/281304328.db2.gz PRAQMZLNWRODGE-UWVAXJGDSA-N 2 0 327.516 3.301 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccsc2S1 ZINC000095420058 300436660 /nfs/dbraw/zinc/43/66/60/300436660.db2.gz CPHQHLMJOAXUSG-XJKSGUPXSA-N 2 0 339.574 3.289 20 0 EGADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090810459 307461678 /nfs/dbraw/zinc/46/16/78/307461678.db2.gz OQMKSKBAWBBOBZ-LPHOPBHVSA-N 2 0 336.520 3.321 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414855022 309105808 /nfs/dbraw/zinc/10/58/08/309105808.db2.gz MRQOHPABLOKMRQ-SOUVJXGZSA-N 2 0 337.895 3.343 20 0 EGADRP CN(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000121780060 307523034 /nfs/dbraw/zinc/52/30/34/307523034.db2.gz ZMWHZZMCNMZEGG-UHFFFAOYSA-N 2 0 343.515 3.237 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)c1 ZINC000123397058 307538734 /nfs/dbraw/zinc/53/87/34/307538734.db2.gz AVERMAOWATZKBG-FQEVSTJZSA-N 2 0 348.531 3.097 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000414114173 309061658 /nfs/dbraw/zinc/06/16/58/309061658.db2.gz STQMPPRJAWECMY-LZLYRXPVSA-N 2 0 331.504 3.264 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000138411961 307719607 /nfs/dbraw/zinc/71/96/07/307719607.db2.gz WQTZSQHTMUDFMH-GOSISDBHSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414183860 309065426 /nfs/dbraw/zinc/06/54/26/309065426.db2.gz NZASDMNXIWWJKC-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@H](C)O1 ZINC000414271689 309069825 /nfs/dbraw/zinc/06/98/25/309069825.db2.gz XEFJCGYZJRTYFB-DAHSGPHPSA-N 2 0 328.500 3.300 20 0 EGADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156767680 307837808 /nfs/dbraw/zinc/83/78/08/307837808.db2.gz RAPIPOQXNAGJIB-JCYILVPMSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccnc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414312082 309072225 /nfs/dbraw/zinc/07/22/25/309072225.db2.gz VWUUFUWDOTZFPQ-SFHVURJKSA-N 2 0 339.483 3.068 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163544064 307923018 /nfs/dbraw/zinc/92/30/18/307923018.db2.gz OWWZMSHIKNDFBB-KRWDZBQOSA-N 2 0 345.531 3.272 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2occc21 ZINC000248755928 308010975 /nfs/dbraw/zinc/01/09/75/308010975.db2.gz CQQONOPKKLVPIX-ICSRJNTNSA-N 2 0 340.467 3.404 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000414431359 309079432 /nfs/dbraw/zinc/07/94/32/309079432.db2.gz HQERXPCENOAUIF-UHFFFAOYSA-N 2 0 342.462 3.380 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850818 308072329 /nfs/dbraw/zinc/07/23/29/308072329.db2.gz UAPRLJNGOYZHDM-NRFANRHFSA-N 2 0 337.467 3.188 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292881323 308076032 /nfs/dbraw/zinc/07/60/32/308076032.db2.gz DZNNBZFLFLZVPY-LJQANCHMSA-N 2 0 347.528 3.155 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCN[C@H](c2nc[nH]n2)c2ccc(F)cc2)C1 ZINC000293670241 308151262 /nfs/dbraw/zinc/15/12/62/308151262.db2.gz JRXZUESHZBQLPX-QAPCUYQASA-N 2 0 345.466 3.135 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(Cl)c1 ZINC000293761834 308159551 /nfs/dbraw/zinc/15/95/51/308159551.db2.gz SEDUAJPZFQBXOM-KBPBESRZSA-N 2 0 325.884 3.153 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CS1 ZINC000414497357 309084642 /nfs/dbraw/zinc/08/46/42/309084642.db2.gz KHELWYRINSYQHS-RDJZCZTQSA-N 2 0 333.545 3.201 20 0 EGADRP C=Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000293988070 308180423 /nfs/dbraw/zinc/18/04/23/308180423.db2.gz RUVKUSYKNCPTOQ-UHFFFAOYSA-N 2 0 336.483 3.472 20 0 EGADRP CC(C)c1nnc(CNCC(C)(C)C[N@H+](C)Cc2ccccc2)[nH]1 ZINC000294934295 308273371 /nfs/dbraw/zinc/27/33/71/308273371.db2.gz ZSIKNJKTTRJXEK-UHFFFAOYSA-N 2 0 329.492 3.176 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCc1c(Cl)cccc1Cl ZINC000294960560 308276380 /nfs/dbraw/zinc/27/63/80/308276380.db2.gz MYOUJHXQESUFSR-UHFFFAOYSA-N 2 0 344.330 3.105 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108034 308291983 /nfs/dbraw/zinc/29/19/83/308291983.db2.gz UYQVOCIWXOQYNV-OAHLLOKOSA-N 2 0 338.879 3.290 20 0 EGADRP Cc1nccnc1CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000295109819 308292254 /nfs/dbraw/zinc/29/22/54/308292254.db2.gz XEUZNJLKFDOTEA-UHFFFAOYSA-N 2 0 338.499 3.360 20 0 EGADRP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000295149329 308296778 /nfs/dbraw/zinc/29/67/78/308296778.db2.gz QWHCHDHJXNIGNN-OYNPSCLESA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCc1cscn1 ZINC000295690362 308350968 /nfs/dbraw/zinc/35/09/68/308350968.db2.gz IENGKUIDSKDWIA-HOTGVXAUSA-N 2 0 329.513 3.432 20 0 EGADRP C[NH2+]C[C@@H](C)CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414706120 309096316 /nfs/dbraw/zinc/09/63/16/309096316.db2.gz GHOOLSCSQAJMCX-MRXNPFEDSA-N 2 0 346.519 3.428 20 0 EGADRP C[NH2+]C[C@H](C)CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414706119 309096381 /nfs/dbraw/zinc/09/63/81/309096381.db2.gz GHOOLSCSQAJMCX-INIZCTEOSA-N 2 0 346.519 3.428 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000414677533 309094953 /nfs/dbraw/zinc/09/49/53/309094953.db2.gz WPCCCTBJHJNEAW-BZSNNMDCSA-N 2 0 332.488 3.433 20 0 EGADRP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000414766308 309099529 /nfs/dbraw/zinc/09/95/29/309099529.db2.gz HPSRXSSCMSLPGW-KDURUIRLSA-N 2 0 336.483 3.281 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772008 309099958 /nfs/dbraw/zinc/09/99/58/309099958.db2.gz BBMCACYQOBHPCD-ZIAGYGMSSA-N 2 0 332.879 3.048 20 0 EGADRP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778922 309100478 /nfs/dbraw/zinc/10/04/78/309100478.db2.gz JPNMKCJSXSDYBX-CABCVRRESA-N 2 0 328.378 3.407 20 0 EGADRP Cc1nn2c(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000414789231 309101542 /nfs/dbraw/zinc/10/15/42/309101542.db2.gz YDNBXEGCIGWQNY-LSDHHAIUSA-N 2 0 347.532 3.044 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CC12CCOCC2 ZINC000414792840 309101602 /nfs/dbraw/zinc/10/16/02/309101602.db2.gz SVUJVQUIZKIGHN-OAHLLOKOSA-N 2 0 344.430 3.273 20 0 EGADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl ZINC000298244094 308596575 /nfs/dbraw/zinc/59/65/75/308596575.db2.gz CQPBBQJOWISMHJ-QGZVFWFLSA-N 2 0 349.837 3.166 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414793734 309101866 /nfs/dbraw/zinc/10/18/66/309101866.db2.gz DURKZQSJIOWYEK-DGCLKSJQSA-N 2 0 340.393 3.199 20 0 EGADRP C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603506 308627544 /nfs/dbraw/zinc/62/75/44/308627544.db2.gz ZJJURENPNZCFRZ-KURKYZTESA-N 2 0 330.520 3.006 20 0 EGADRP Fc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414828372 309104082 /nfs/dbraw/zinc/10/40/82/309104082.db2.gz MEIFMQDQNCKDNC-QGZVFWFLSA-N 2 0 328.431 3.494 20 0 EGADRP C[NH+](C)CCCCCCCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000299273067 308668249 /nfs/dbraw/zinc/66/82/49/308668249.db2.gz XYGWOCWYRNKLKO-UHFFFAOYSA-N 2 0 348.535 3.060 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414846783 309105372 /nfs/dbraw/zinc/10/53/72/309105372.db2.gz HVKNMMHKZRSQQD-CYBMUJFWSA-N 2 0 326.868 3.227 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000393893080 308902723 /nfs/dbraw/zinc/90/27/23/308902723.db2.gz SLTDUMAVQGYACZ-SJORKVTESA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414869181 309106483 /nfs/dbraw/zinc/10/64/83/309106483.db2.gz AHNUZMKTHPAZOR-HNNXBMFYSA-N 2 0 338.430 3.363 20 0 EGADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414872261 309106610 /nfs/dbraw/zinc/10/66/10/309106610.db2.gz FODBTZYWWHEGFQ-MRVPVSSYSA-N 2 0 341.171 3.032 20 0 EGADRP C[C@@]1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000414903345 309108337 /nfs/dbraw/zinc/10/83/37/309108337.db2.gz IFYPFLIDYFQZQX-LJQANCHMSA-N 2 0 335.923 3.284 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000414949589 309110843 /nfs/dbraw/zinc/11/08/43/309110843.db2.gz NUWDYPMSHJIGDO-ABAIWWIYSA-N 2 0 338.377 3.326 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000414949591 309110916 /nfs/dbraw/zinc/11/09/16/309110916.db2.gz NUWDYPMSHJIGDO-NHYWBVRUSA-N 2 0 338.377 3.326 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414967164 309111956 /nfs/dbraw/zinc/11/19/56/309111956.db2.gz GWYIFPTUDVSGTH-KRWDZBQOSA-N 2 0 330.451 3.250 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414969788 309112293 /nfs/dbraw/zinc/11/22/93/309112293.db2.gz JOFYXVGATBQUKG-CABCVRRESA-N 2 0 337.895 3.487 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CC[NH2+]CC1 ZINC000414979702 309112613 /nfs/dbraw/zinc/11/26/13/309112613.db2.gz VELOJPNXEVHMNB-VQTJNVASSA-N 2 0 330.516 3.394 20 0 EGADRP COCC1(C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)CC[NH2+]CC1 ZINC000414983140 309112804 /nfs/dbraw/zinc/11/28/04/309112804.db2.gz YSQQYEUWYHHOTO-UHFFFAOYSA-N 2 0 347.286 3.108 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000414993647 309113129 /nfs/dbraw/zinc/11/31/29/309113129.db2.gz LPCRZRIWYLSJEE-OCCSQVGLSA-N 2 0 328.403 3.294 20 0 EGADRP CC(C)Cn1cc(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000414993832 309113176 /nfs/dbraw/zinc/11/31/76/309113176.db2.gz CXCPMXAGCOBUEU-AZUAARDMSA-N 2 0 344.478 3.161 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])c(Cl)c1 ZINC000415008213 309113849 /nfs/dbraw/zinc/11/38/49/309113849.db2.gz CXPLTRWQVNQWAI-KGLIPLIRSA-N 2 0 325.884 3.473 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000415014505 309114380 /nfs/dbraw/zinc/11/43/80/309114380.db2.gz MMIWLQWMTWODNT-LLVKDONJSA-N 2 0 342.274 3.181 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000415024052 309114920 /nfs/dbraw/zinc/11/49/20/309114920.db2.gz OBUOTGMJXCULGF-ZDUSSCGKSA-N 2 0 327.875 3.161 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1OC(F)F ZINC000415025291 309115035 /nfs/dbraw/zinc/11/50/35/309115035.db2.gz POLNBIWDVLGFIS-JOCQHMNTSA-N 2 0 328.403 3.151 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000415028316 309115205 /nfs/dbraw/zinc/11/52/05/309115205.db2.gz YOLDTOBJVJRKGW-QGZVFWFLSA-N 2 0 349.482 3.210 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000415036009 309115812 /nfs/dbraw/zinc/11/58/12/309115812.db2.gz KZUSAOIEUZLCME-CABZTGNLSA-N 2 0 349.219 3.268 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415040696 309116111 /nfs/dbraw/zinc/11/61/11/309116111.db2.gz PDNKKACTKGMNIF-SJLPKXTDSA-N 2 0 346.906 3.419 20 0 EGADRP c1ccc(CC[C@@H](Cc2ccccc2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415042641 309116172 /nfs/dbraw/zinc/11/61/72/309116172.db2.gz QUABYMVGFFGMHR-VXKWHMMOSA-N 2 0 338.495 3.199 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415055908 309117018 /nfs/dbraw/zinc/11/70/18/309117018.db2.gz PJARBKSXSBQYRU-LJQANCHMSA-N 2 0 345.531 3.483 20 0 EGADRP COc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058644 309117385 /nfs/dbraw/zinc/11/73/85/309117385.db2.gz VWWUEPDCHFOMCO-DZGCQCFKSA-N 2 0 338.879 3.321 20 0 EGADRP COc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058655 309117416 /nfs/dbraw/zinc/11/74/16/309117416.db2.gz VWWUEPDCHFOMCO-ZFWWWQNUSA-N 2 0 338.879 3.321 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415076129 309118569 /nfs/dbraw/zinc/11/85/69/309118569.db2.gz CLVZBNMSIDTHQL-CEXWTWQISA-N 2 0 332.488 3.031 20 0 EGADRP CC(C)(Cc1ccc(Br)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000415078615 309118720 /nfs/dbraw/zinc/11/87/20/309118720.db2.gz JAKRGHIELHESAL-UHFFFAOYSA-N 2 0 325.294 3.359 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000415084190 309119190 /nfs/dbraw/zinc/11/91/90/309119190.db2.gz OKZFXRTWQQFIBC-GXTWGEPZSA-N 2 0 346.393 3.257 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415084160 309119198 /nfs/dbraw/zinc/11/91/98/309119198.db2.gz OGRJBOFJKJOYTH-SCRDCRAPSA-N 2 0 343.284 3.497 20 0 EGADRP CCOc1ccc(C2(C[NH2+]C3CCC(C[NH3+])CC3)CCOCC2)cc1 ZINC000415092595 309119788 /nfs/dbraw/zinc/11/97/88/309119788.db2.gz TYWXIVPDVNVULQ-UHFFFAOYSA-N 2 0 346.515 3.241 20 0 EGADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000415096636 309119962 /nfs/dbraw/zinc/11/99/62/309119962.db2.gz BVFFZEHPVSRNPX-RHSMWYFYSA-N 2 0 337.458 3.049 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000415100737 309120376 /nfs/dbraw/zinc/12/03/76/309120376.db2.gz HETMYZHSIKDJBY-AGIUHOORSA-N 2 0 334.851 3.429 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415101573 309120425 /nfs/dbraw/zinc/12/04/25/309120425.db2.gz CHAHREYBRFDACU-JRGCBEDISA-N 2 0 330.516 3.474 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000415103080 309120630 /nfs/dbraw/zinc/12/06/30/309120630.db2.gz FMODJNWMDRLMIL-AEFFLSMTSA-N 2 0 338.879 3.067 20 0 EGADRP C[C@@H](Cc1ccccc1Br)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415115914 309121401 /nfs/dbraw/zinc/12/14/01/309121401.db2.gz HENMXIWBFMIGTK-OPFPJEHXSA-N 2 0 325.294 3.487 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C1 ZINC000415117189 309121409 /nfs/dbraw/zinc/12/14/09/309121409.db2.gz BWWUHFBLIAVKMS-RDJZCZTQSA-N 2 0 340.414 3.006 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415133648 309122811 /nfs/dbraw/zinc/12/28/11/309122811.db2.gz VJBVPNVZQGBCKY-DZGCQCFKSA-N 2 0 332.879 3.251 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000415136251 309123197 /nfs/dbraw/zinc/12/31/97/309123197.db2.gz QZVRUWYXIBMQIV-QWFCFKBJSA-N 2 0 329.532 3.394 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415136708 309123239 /nfs/dbraw/zinc/12/32/39/309123239.db2.gz XPFQDRYQBMMETK-IRXDYDNUSA-N 2 0 342.405 3.424 20 0 EGADRP C[C@@H](CCC[NH3+])NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415384335 309132391 /nfs/dbraw/zinc/13/23/91/309132391.db2.gz CSVJYJZQTJLEBK-KRWDZBQOSA-N 2 0 346.519 3.210 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000415908353 309147663 /nfs/dbraw/zinc/14/76/63/309147663.db2.gz DBJSFZRKTLZXKA-GOSISDBHSA-N 2 0 346.519 3.286 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000415912011 309147907 /nfs/dbraw/zinc/14/79/07/309147907.db2.gz FTQNQXWMXXHXJJ-MRXNPFEDSA-N 2 0 332.492 3.182 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415925623 309149093 /nfs/dbraw/zinc/14/90/93/309149093.db2.gz BGEUBPMJFYWLTB-UHFFFAOYSA-N 2 0 334.508 3.238 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000415935395 309149783 /nfs/dbraw/zinc/14/97/83/309149783.db2.gz RMAHDTKMHVPLBG-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970635 309152033 /nfs/dbraw/zinc/15/20/33/309152033.db2.gz FMBWEHIQMFYQPM-AEFFLSMTSA-N 2 0 344.503 3.264 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416181801 309162551 /nfs/dbraw/zinc/16/25/51/309162551.db2.gz TULUNGVIVJAZAJ-ICSRJNTNSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)(CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000416820963 309182425 /nfs/dbraw/zinc/18/24/25/309182425.db2.gz DBRDQGMADSWKAY-GOSISDBHSA-N 2 0 346.519 3.030 20 0 EGADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000417689210 309218110 /nfs/dbraw/zinc/21/81/10/309218110.db2.gz JUXVRKNWBCMKPU-MRXNPFEDSA-N 2 0 346.519 3.029 20 0 EGADRP CCC(CC)(CNC(=O)N1CCC[C@@H]([NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417696209 309218383 /nfs/dbraw/zinc/21/83/83/309218383.db2.gz CDGIWXOUKWYMTG-SJLPKXTDSA-N 2 0 346.519 3.029 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1 ZINC000419807920 309272457 /nfs/dbraw/zinc/27/24/57/309272457.db2.gz UAOKDANWIQYCAU-KGLIPLIRSA-N 2 0 339.936 3.075 20 0 EGADRP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420303029 309280386 /nfs/dbraw/zinc/28/03/86/309280386.db2.gz MYMXVYTWXXGSGP-HQMSXXKGSA-N 2 0 338.495 3.104 20 0 EGADRP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000420302258 309280428 /nfs/dbraw/zinc/28/04/28/309280428.db2.gz JJYLSOAABJYGSR-CZAAIQMYSA-N 2 0 342.483 3.009 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCOc2ccccc2C)cc1 ZINC000420302330 309280454 /nfs/dbraw/zinc/28/04/54/309280454.db2.gz JQKCMIYZGKPAEX-SFHVURJKSA-N 2 0 328.456 3.057 20 0 EGADRP COC(=O)CC1(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000420305450 309280839 /nfs/dbraw/zinc/28/08/39/309280839.db2.gz GIOKGSFQOOVPMC-RBUKOAKNSA-N 2 0 344.499 3.002 20 0 EGADRP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420331678 309282733 /nfs/dbraw/zinc/28/27/33/309282733.db2.gz ITNGMVKDKISGRV-AEGPPILISA-N 2 0 346.862 3.382 20 0 EGADRP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331553 309282748 /nfs/dbraw/zinc/28/27/48/309282748.db2.gz CCXAPECNFDPEAZ-RBUKOAKNSA-N 2 0 343.515 3.071 20 0 EGADRP Fc1ccccc1-c1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000420339621 309283215 /nfs/dbraw/zinc/28/32/15/309283215.db2.gz QYXKJMBRUYRYCZ-KRWDZBQOSA-N 2 0 329.419 3.445 20 0 EGADRP CC1CCC(N(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C2CC2)CC1 ZINC000420338651 309283296 /nfs/dbraw/zinc/28/32/96/309283296.db2.gz QBOHRRJUPPPUJL-NLPFYKDJSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420346855 309283602 /nfs/dbraw/zinc/28/36/02/309283602.db2.gz ZGTXZTQFGJUIPM-ULQDDVLXSA-N 2 0 340.471 3.428 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420372134 309284940 /nfs/dbraw/zinc/28/49/40/309284940.db2.gz LDKBVKGXGXWUNR-BBRMVZONSA-N 2 0 328.378 3.078 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420387560 309285647 /nfs/dbraw/zinc/28/56/47/309285647.db2.gz KJMVZUKGUXFBNZ-PMACEKPBSA-N 2 0 346.515 3.291 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420385606 309285703 /nfs/dbraw/zinc/28/57/03/309285703.db2.gz TXFCBTFULZGKQE-TZIWHRDSSA-N 2 0 346.515 3.291 20 0 EGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCOCC[NH3+] ZINC000420409370 309286836 /nfs/dbraw/zinc/28/68/36/309286836.db2.gz QNODACJJCLXYAK-LLVKDONJSA-N 2 0 339.892 3.398 20 0 EGADRP CCc1ccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000420979913 309305819 /nfs/dbraw/zinc/30/58/19/309305819.db2.gz LAMAZDCEZREMMP-UHFFFAOYSA-N 2 0 329.532 3.241 20 0 EGADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(Cl)c1OC ZINC000421376960 309321645 /nfs/dbraw/zinc/32/16/45/309321645.db2.gz SGLRONPUECASEU-UHFFFAOYSA-N 2 0 326.868 3.320 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421825797 309341712 /nfs/dbraw/zinc/34/17/12/309341712.db2.gz PICJKDXFJVGBKZ-IFMALSPDSA-N 2 0 349.522 3.483 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421832636 309342307 /nfs/dbraw/zinc/34/23/07/309342307.db2.gz GPFRVMKXJOTLEM-QLFBSQMISA-N 2 0 325.884 3.275 20 0 EGADRP c1cnc2c(c1)CC[C@@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000421844427 309342940 /nfs/dbraw/zinc/34/29/40/309342940.db2.gz OHCHJLATQQNJPZ-LJQANCHMSA-N 2 0 336.483 3.230 20 0 EGADRP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000422004849 309350548 /nfs/dbraw/zinc/35/05/48/309350548.db2.gz HKHJGRRJTBAWIB-MHJFOBGBSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422702950 309363736 /nfs/dbraw/zinc/36/37/36/309363736.db2.gz LWQCKMQVPYEUNO-PCCBWWKXSA-N 2 0 341.543 3.334 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422704852 309363855 /nfs/dbraw/zinc/36/38/55/309363855.db2.gz AQXFDDPCXHTXGD-CQSZACIVSA-N 2 0 329.419 3.295 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])c2)cc1 ZINC000422711153 309364234 /nfs/dbraw/zinc/36/42/34/309364234.db2.gz MZRVPUPTEVJKDP-AZUAARDMSA-N 2 0 337.467 3.464 20 0 EGADRP [NH3+][C@@H]1C[C@H](NCC2([NH+]3CCSCC3)CCCCC2)c2ccccc21 ZINC000422716059 309364674 /nfs/dbraw/zinc/36/46/74/309364674.db2.gz TYMALINFPNDECT-MOPGFXCFSA-N 2 0 345.556 3.473 20 0 EGADRP C[C@@H](N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422726589 309365298 /nfs/dbraw/zinc/36/52/98/309365298.db2.gz FLRWSUOUUIYQJZ-KBRIMQKVSA-N 2 0 341.421 3.010 20 0 EGADRP C[C@H]([NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C)C1C[NH2+]C1 ZINC000422743450 309366349 /nfs/dbraw/zinc/36/63/49/309366349.db2.gz RIOOJYOYVJLJAY-FTGAXOIBSA-N 2 0 341.318 3.430 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422750519 309366419 /nfs/dbraw/zinc/36/64/19/309366419.db2.gz BHEFEINNJKCQFS-MAUKXSAKSA-N 2 0 336.907 3.495 20 0 EGADRP Brc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000422748453 309366526 /nfs/dbraw/zinc/36/65/26/309366526.db2.gz URGMQNMPVMEXOK-XYPWUTKMSA-N 2 0 335.289 3.353 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422762169 309367055 /nfs/dbraw/zinc/36/70/55/309367055.db2.gz RXMALDVGWBSWQD-OXJNMPFZSA-N 2 0 336.483 3.283 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCCC1 ZINC000422764098 309367168 /nfs/dbraw/zinc/36/71/68/309367168.db2.gz PLVRYHAIQVOWJA-QGTPRVQTSA-N 2 0 336.907 3.494 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])N2CCCCC2)cc1 ZINC000422770825 309367557 /nfs/dbraw/zinc/36/75/57/309367557.db2.gz WSWPURDIXAJTFK-GIVPXCGWSA-N 2 0 345.531 3.329 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000422783842 309368074 /nfs/dbraw/zinc/36/80/74/309368074.db2.gz OUYLZQGHRNNUCE-CTNGQTDRSA-N 3 0 345.531 3.014 20 0 EGADRP c1ccc(OCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422787047 309368323 /nfs/dbraw/zinc/36/83/23/309368323.db2.gz LPKUWICBIWZBBV-CTNGQTDRSA-N 2 0 338.451 3.301 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Oc1ccc(Br)cc1 ZINC000422794089 309368644 /nfs/dbraw/zinc/36/86/44/309368644.db2.gz GHWYVSCFSZTCPJ-IOASZLSFSA-N 2 0 341.293 3.324 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000422803698 309369211 /nfs/dbraw/zinc/36/92/11/309369211.db2.gz GFZUYNQOBXKKKN-LSDHHAIUSA-N 2 0 335.455 3.446 20 0 EGADRP COCc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422804079 309369260 /nfs/dbraw/zinc/36/92/60/309369260.db2.gz JVOBODHUSNRYLX-TZIWHRDSSA-N 2 0 338.451 3.179 20 0 EGADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422819390 309370073 /nfs/dbraw/zinc/37/00/73/309370073.db2.gz NASCZPKOQOMXHD-NJDAHSKKSA-N 2 0 338.499 3.315 20 0 EGADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422817733 309370178 /nfs/dbraw/zinc/37/01/78/309370178.db2.gz IDRYVVGBONXMCM-DGXTUMSLSA-N 2 0 334.426 3.102 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422848095 309372002 /nfs/dbraw/zinc/37/20/02/309372002.db2.gz SHIYSUVVEWUYRM-XKQJLSEDSA-N 2 0 339.886 3.333 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422859880 309372346 /nfs/dbraw/zinc/37/23/46/309372346.db2.gz LEHUHBANHUJBIY-IEBWSBKVSA-N 2 0 326.488 3.315 20 0 EGADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422875470 309373284 /nfs/dbraw/zinc/37/32/84/309373284.db2.gz CRLXOYMTSLCLGX-GUDVDZBRSA-N 2 0 328.504 3.082 20 0 EGADRP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422891447 309374629 /nfs/dbraw/zinc/37/46/29/309374629.db2.gz KNMLLNCZPFBFDE-XUVXKRRUSA-N 2 0 343.515 3.227 20 0 EGADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422908139 309375655 /nfs/dbraw/zinc/37/56/55/309375655.db2.gz YGANMYJZNADZHN-YESZJQIVSA-N 2 0 332.419 3.127 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422913962 309376035 /nfs/dbraw/zinc/37/60/35/309376035.db2.gz ZOCHJWOHFYQALP-WFXMLNOXSA-N 2 0 325.500 3.055 20 0 EGADRP COc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422921145 309376263 /nfs/dbraw/zinc/37/62/63/309376263.db2.gz NKWDEQNPEHFEPI-VAMGGRTRSA-N 2 0 332.488 3.365 20 0 EGADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)cc1 ZINC000422925912 309376376 /nfs/dbraw/zinc/37/63/76/309376376.db2.gz VVQUBQPJWQYBKW-IWMITWMQSA-N 2 0 340.467 3.204 20 0 EGADRP Cc1cccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422926143 309376380 /nfs/dbraw/zinc/37/63/80/309376380.db2.gz COASRHFUPMNTSP-FPOVZHCZSA-N 2 0 338.451 3.219 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1OC1CCCC1 ZINC000422940879 309377434 /nfs/dbraw/zinc/37/74/34/309377434.db2.gz NQJPXKVFWQBALR-CRAIPNDOSA-N 2 0 332.488 3.494 20 0 EGADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422963682 309378428 /nfs/dbraw/zinc/37/84/28/309378428.db2.gz GJIFMIPJWUCISN-ZGXWSNOMSA-N 2 0 330.516 3.299 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965957 309378685 /nfs/dbraw/zinc/37/86/85/309378685.db2.gz QIIQJSXFENYSNW-JXFKEZNVSA-N 2 0 326.488 3.488 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[NH2+]CC1 ZINC000422993734 309380012 /nfs/dbraw/zinc/38/00/12/309380012.db2.gz UEMLNPLPLXFAOB-CRAIPNDOSA-N 2 0 344.499 3.320 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000422997905 309380136 /nfs/dbraw/zinc/38/01/36/309380136.db2.gz PDSGYPSKKGSMQM-FUHIMQAGSA-N 2 0 334.504 3.419 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423026257 309381618 /nfs/dbraw/zinc/38/16/18/309381618.db2.gz PXDLEGKNCNKEHG-VSZNYVQBSA-N 2 0 332.488 3.220 20 0 EGADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423029748 309381825 /nfs/dbraw/zinc/38/18/25/309381825.db2.gz VIHWSHBRTCVPHW-MJSCVDMRSA-N 2 0 339.886 3.189 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423030169 309381934 /nfs/dbraw/zinc/38/19/34/309381934.db2.gz JJUDPPODIWMWKM-SUSNAOKRSA-N 2 0 339.527 3.160 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Cl)c(C)c2)CC[NH2+]CC1 ZINC000423039331 309382410 /nfs/dbraw/zinc/38/24/10/309382410.db2.gz QIOLOZNIGIMABX-CQSZACIVSA-N 2 0 338.879 3.059 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423057147 309383529 /nfs/dbraw/zinc/38/35/29/309383529.db2.gz ZHAHOJVKRKNUJM-XJKSGUPXSA-N 2 0 331.426 3.415 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090806 309385355 /nfs/dbraw/zinc/38/53/55/309385355.db2.gz WFROTACUFLIBBD-ZFWWWQNUSA-N 2 0 340.309 3.135 20 0 EGADRP COC1CCC(C)(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423090090 309385419 /nfs/dbraw/zinc/38/54/19/309385419.db2.gz WUEUUNDYWDPKQT-KOXUGQHGSA-N 2 0 344.499 3.427 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000423122136 309387021 /nfs/dbraw/zinc/38/70/21/309387021.db2.gz JDMXUJVUWYABTP-FZKQIMNGSA-N 2 0 333.863 3.276 20 0 EGADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423123756 309387114 /nfs/dbraw/zinc/38/71/14/309387114.db2.gz NFZSQZJDZZJQKB-XDWAVFMPSA-N 2 0 328.500 3.053 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423129649 309387409 /nfs/dbraw/zinc/38/74/09/309387409.db2.gz XMNIFHXZHYYMMX-GBESFXJTSA-N 2 0 328.504 3.001 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000423130848 309387429 /nfs/dbraw/zinc/38/74/29/309387429.db2.gz SGRKUPYGDYWGQQ-FIKGOQFSSA-N 2 0 338.499 3.162 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000423137045 309387874 /nfs/dbraw/zinc/38/78/74/309387874.db2.gz VZHXSOIKKLAZMW-SRBZOADZSA-N 2 0 331.485 3.263 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423265640 309393011 /nfs/dbraw/zinc/39/30/11/309393011.db2.gz CNRBEMJGWQSLPE-MFKMUULPSA-N 2 0 329.307 3.431 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423286101 309394126 /nfs/dbraw/zinc/39/41/26/309394126.db2.gz ZOSPUWWNXWFYCC-QILLFSRXSA-N 2 0 332.492 3.385 20 0 EGADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423304516 309394633 /nfs/dbraw/zinc/39/46/33/309394633.db2.gz OHIDABFSPBUHTB-LKFCYVNXSA-N 2 0 327.291 3.041 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000423306818 309394656 /nfs/dbraw/zinc/39/46/56/309394656.db2.gz MAUOLRMZEIBVQU-IAGOWNOFSA-N 2 0 349.544 3.299 20 0 EGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423318493 309394916 /nfs/dbraw/zinc/39/49/16/309394916.db2.gz BUHLETTXTIEVHL-LGYWMIHWSA-N 2 0 345.531 3.041 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423321370 309395146 /nfs/dbraw/zinc/39/51/46/309395146.db2.gz HLBRSWYYJCWWJS-MRXNPFEDSA-N 2 0 339.483 3.478 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423325488 309395320 /nfs/dbraw/zinc/39/53/20/309395320.db2.gz IUPPMJOKGCVNNB-MRXNPFEDSA-N 2 0 339.483 3.477 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccccc21 ZINC000423326484 309395383 /nfs/dbraw/zinc/39/53/83/309395383.db2.gz KQLHVBZYANWDSJ-MSOLQXFVSA-N 2 0 330.472 3.148 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)[NH3+] ZINC000423345161 309396440 /nfs/dbraw/zinc/39/64/40/309396440.db2.gz XMMKHMOBGAMRJW-GPMSIDNRSA-N 2 0 331.504 3.476 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000423347222 309396481 /nfs/dbraw/zinc/39/64/81/309396481.db2.gz ZWRCYFKQKOIAPD-UWVAXJGDSA-N 2 0 345.531 3.297 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423356859 309396855 /nfs/dbraw/zinc/39/68/55/309396855.db2.gz HJBFOFYWTLIPFW-DOTOQJQBSA-N 2 0 332.492 3.353 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000423363783 309397261 /nfs/dbraw/zinc/39/72/61/309397261.db2.gz VFOIMUOZDCDPEJ-OKZBNKHCSA-N 2 0 343.515 3.433 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000423377046 309397695 /nfs/dbraw/zinc/39/76/95/309397695.db2.gz VPFPVSXYKSUTHK-ISTVAULSSA-N 2 0 327.241 3.435 20 0 EGADRP C[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423383485 309397903 /nfs/dbraw/zinc/39/79/03/309397903.db2.gz JLEXIVFUUQZRTE-APWZRJJASA-N 2 0 333.520 3.056 20 0 EGADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423392564 309398439 /nfs/dbraw/zinc/39/84/39/309398439.db2.gz OKYXJDXVDCINCL-INIZCTEOSA-N 2 0 342.430 3.345 20 0 EGADRP CC(C)(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423404570 309398699 /nfs/dbraw/zinc/39/86/99/309398699.db2.gz IWTJHCAQSRTXSU-IBGZPJMESA-N 2 0 345.531 3.485 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2sc(C(C)C)nc2C)CC[NH2+]CC1 ZINC000423406286 309398880 /nfs/dbraw/zinc/39/88/80/309398880.db2.gz KKILCOGOSHWAOQ-CYBMUJFWSA-N 2 0 325.522 3.242 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC[NH2+]CC1 ZINC000423407566 309398992 /nfs/dbraw/zinc/39/89/92/309398992.db2.gz MRWDDQMYBGXEKK-KRWDZBQOSA-N 2 0 339.483 3.415 20 0 EGADRP COC[C@]1(C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000423419962 309399765 /nfs/dbraw/zinc/39/97/65/309399765.db2.gz WTGBZEDUBTWGCT-WMLDXEAASA-N 2 0 344.421 3.385 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(C)c1OC ZINC000423425151 309399917 /nfs/dbraw/zinc/39/99/17/309399917.db2.gz NWPNFGODEOXFLB-DJIMGWMZSA-N 2 0 334.504 3.298 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423461194 309401139 /nfs/dbraw/zinc/40/11/39/309401139.db2.gz NQAOGMZMPRHHAV-ICEFOOHZSA-N 2 0 349.316 3.412 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423477817 309401814 /nfs/dbraw/zinc/40/18/14/309401814.db2.gz KNIQOGHERKEPMV-TZIWHRDSSA-N 2 0 339.483 3.496 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000423491060 309402625 /nfs/dbraw/zinc/40/26/25/309402625.db2.gz JAAMZJGTSRZHHO-OSAQELSMSA-N 2 0 339.277 3.380 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423524554 309404696 /nfs/dbraw/zinc/40/46/96/309404696.db2.gz ZNSSTOSABMYZQQ-POAQFYNOSA-N 2 0 325.456 3.091 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ncc(Br)cc1F ZINC000423537232 309405489 /nfs/dbraw/zinc/40/54/89/309405489.db2.gz CGLIASRKPISQQP-MRBYEJRBSA-N 2 0 342.256 3.022 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1Cl ZINC000423543900 309405744 /nfs/dbraw/zinc/40/57/44/309405744.db2.gz CJELFUCVVIFSNZ-CQSZACIVSA-N 2 0 335.879 3.265 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423558257 309406283 /nfs/dbraw/zinc/40/62/83/309406283.db2.gz RZIBDTAXLJYDER-WGBDABJCSA-N 2 0 341.318 3.476 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423725520 309410745 /nfs/dbraw/zinc/41/07/45/309410745.db2.gz IQJQIANIVUUJCS-KOGRVDFBSA-N 2 0 347.547 3.004 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000423846028 309416298 /nfs/dbraw/zinc/41/62/98/309416298.db2.gz NKFSHWIUJMXSPV-IBGZPJMESA-N 2 0 329.488 3.042 20 0 EGADRP CC(C)(C)CCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424019458 309425629 /nfs/dbraw/zinc/42/56/29/309425629.db2.gz LRIPCXFCMQVEAA-UHFFFAOYSA-N 2 0 345.531 3.313 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424143449 309430685 /nfs/dbraw/zinc/43/06/85/309430685.db2.gz JTZWPRPKTBFYTQ-OALUTQOASA-N 2 0 337.552 3.255 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000424274350 309435834 /nfs/dbraw/zinc/43/58/34/309435834.db2.gz VZGZZNZGHBMQNF-UHFFFAOYSA-N 2 0 344.499 3.494 20 0 EGADRP Fc1ccc2oc(C[NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)cc2c1 ZINC000424369362 309440702 /nfs/dbraw/zinc/44/07/02/309440702.db2.gz BHFRTJSNNIDTEG-UHFFFAOYSA-N 2 0 340.402 3.209 20 0 EGADRP [NH3+]CC1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430638656 309613667 /nfs/dbraw/zinc/61/36/67/309613667.db2.gz GENRNPZGOUGDJE-IBGZPJMESA-N 2 0 348.450 3.497 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])[NH+]2CCCC2)o1 ZINC000430888836 309620209 /nfs/dbraw/zinc/62/02/09/309620209.db2.gz KCDXEPUUDSRKJN-KSZLIROESA-N 2 0 347.503 3.139 20 0 EGADRP CC(C)(C)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000433121557 309679315 /nfs/dbraw/zinc/67/93/15/309679315.db2.gz NYKOYOAQMNLTPH-LJQANCHMSA-N 2 0 349.494 3.232 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000433146718 309679959 /nfs/dbraw/zinc/67/99/59/309679959.db2.gz WIMGJXXJVWMLRS-UHFFFAOYSA-N 2 0 330.259 3.135 20 0 EGADRP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000433152993 309680068 /nfs/dbraw/zinc/68/00/68/309680068.db2.gz OBLBXTSABQOFKA-MBOZVWFJSA-N 2 0 345.531 3.012 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(C[C@H]3CCC[NH2+]3)n2)c1 ZINC000435724573 309738720 /nfs/dbraw/zinc/73/87/20/309738720.db2.gz CQKCUSRDQANMKL-QGZVFWFLSA-N 2 0 326.444 3.017 20 0 EGADRP COc1cc(F)c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000447553832 309981910 /nfs/dbraw/zinc/98/19/10/309981910.db2.gz SINWDHPOAUOVFF-CYBMUJFWSA-N 2 0 336.451 3.368 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449020396 310029743 /nfs/dbraw/zinc/02/97/43/310029743.db2.gz YWFVZYLXJVDPPQ-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP C[N@@H+](Cc1cccc(Br)c1F)CC1CC[NH+](C)CC1 ZINC000449023157 310029939 /nfs/dbraw/zinc/02/99/39/310029939.db2.gz OARYKXYVKXORMB-UHFFFAOYSA-N 2 0 329.257 3.362 20 0 EGADRP Cc1cccc(CC[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000449059181 310033758 /nfs/dbraw/zinc/03/37/58/310033758.db2.gz ONPULPCVEWKVOB-UHFFFAOYSA-N 2 0 338.495 3.284 20 0 EGADRP Cc1cccc(CC[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000449172205 310042263 /nfs/dbraw/zinc/04/22/63/310042263.db2.gz UZACUPMYAOEEGT-UHFFFAOYSA-N 2 0 329.532 3.077 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@]2(C)CO)CC1 ZINC000449178138 310042597 /nfs/dbraw/zinc/04/25/97/310042597.db2.gz UHLJPIKCGADKPS-UIFIKXQLSA-N 2 0 330.516 3.223 20 0 EGADRP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000449588513 310074189 /nfs/dbraw/zinc/07/41/89/310074189.db2.gz KYQDZHFEGQRDFH-QGLKVJOYSA-N 2 0 328.500 3.038 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449591019 310074195 /nfs/dbraw/zinc/07/41/95/310074195.db2.gz VYGJCPRZINJJLU-NQYYFHDYSA-N 2 0 336.520 3.351 20 0 EGADRP CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000449596892 310074567 /nfs/dbraw/zinc/07/45/67/310074567.db2.gz CPTWJIQFPCJCSM-HSALFYBXSA-N 2 0 328.500 3.303 20 0 EGADRP CCSc1cccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c1 ZINC000449747368 310084074 /nfs/dbraw/zinc/08/40/74/310084074.db2.gz WMXVPXNDBXLWRG-UHFFFAOYSA-N 2 0 335.561 3.304 20 0 EGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450049810 310100610 /nfs/dbraw/zinc/10/06/10/310100610.db2.gz RDFVEYJQUDLOQH-FQEVSTJZSA-N 2 0 347.547 3.307 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451697900 310192872 /nfs/dbraw/zinc/19/28/72/310192872.db2.gz IVADLDQVYMISFM-POAQFYNOSA-N 2 0 325.456 3.164 20 0 EGADRP CC1CC[NH+](CCN2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000451703550 310193403 /nfs/dbraw/zinc/19/34/03/310193403.db2.gz FEWRDYMNCDNESX-FQEVSTJZSA-N 2 0 329.532 3.172 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(C)C)nc2C)CC1 ZINC000451989372 310206731 /nfs/dbraw/zinc/20/67/31/310206731.db2.gz QGSQMFYRYURKIR-UHFFFAOYSA-N 2 0 332.536 3.019 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000452086511 310211332 /nfs/dbraw/zinc/21/13/32/310211332.db2.gz MYMAZAQACHDQKR-PXNSSMCTSA-N 2 0 339.483 3.065 20 0 EGADRP C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453074473 310256151 /nfs/dbraw/zinc/25/61/51/310256151.db2.gz GVMQGAXQWYJJAN-NJDAHSKKSA-N 2 0 327.516 3.113 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453077671 310256518 /nfs/dbraw/zinc/25/65/18/310256518.db2.gz BIFZDPFRMNYKAA-PCCBWWKXSA-N 2 0 328.500 3.446 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000453109403 310258467 /nfs/dbraw/zinc/25/84/67/310258467.db2.gz PKXBMAWTDMATFR-NEWSRXKRSA-N 2 0 342.487 3.188 20 0 EGADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453274659 310268537 /nfs/dbraw/zinc/26/85/37/310268537.db2.gz KQYAQTVZQNFHRD-WLRLJWMZSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)(CO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453274014 310268643 /nfs/dbraw/zinc/26/86/43/310268643.db2.gz JYVNLYFKTISIEN-VAMGGRTRSA-N 2 0 330.516 3.428 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453350132 310272391 /nfs/dbraw/zinc/27/23/91/310272391.db2.gz PDNAZRZBVDUBIR-VAMGGRTRSA-N 2 0 328.500 3.182 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CCC1 ZINC000453369106 310273300 /nfs/dbraw/zinc/27/33/00/310273300.db2.gz FFYKWRMMCDTJNN-DOIPELPJSA-N 2 0 328.500 3.180 20 0 EGADRP COc1sc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1Br ZINC000453594962 310283509 /nfs/dbraw/zinc/28/35/09/310283509.db2.gz IWESIORMKVBVRC-UHFFFAOYSA-N 2 0 347.322 3.483 20 0 EGADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(Cl)c1OC ZINC000453596440 310283560 /nfs/dbraw/zinc/28/35/60/310283560.db2.gz LGHFDKPZTCLGIX-UHFFFAOYSA-N 2 0 326.868 3.321 20 0 EGADRP CC1=CC[N@H+](CCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455843305 310379221 /nfs/dbraw/zinc/37/92/21/310379221.db2.gz GKULYJKDOVYHGM-IBGZPJMESA-N 2 0 342.487 3.009 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCC3CC[NH+](C)CC3)ccc21 ZINC000455937361 310382766 /nfs/dbraw/zinc/38/27/66/310382766.db2.gz SHWGUWUMWTUMRE-IBGZPJMESA-N 2 0 344.503 3.089 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474734348 310798603 /nfs/dbraw/zinc/79/86/03/310798603.db2.gz HTZHHRCHXMPKBM-VHDGCEQUSA-N 2 0 342.936 3.187 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000479251477 310871469 /nfs/dbraw/zinc/87/14/69/310871469.db2.gz JNQNCKIFIUORKB-MOPGFXCFSA-N 2 0 335.923 3.189 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000480906221 310902804 /nfs/dbraw/zinc/90/28/04/310902804.db2.gz XRDGBWARDGBGHB-OALUTQOASA-N 3 0 347.547 3.400 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000488406750 311064273 /nfs/dbraw/zinc/06/42/73/311064273.db2.gz NJFCRHJCFQBMOC-SFHVURJKSA-N 2 0 349.563 3.435 20 0 EGADRP Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000489914978 311125083 /nfs/dbraw/zinc/12/50/83/311125083.db2.gz DYOIETJMJBDVMK-AWEZNQCLSA-N 2 0 333.863 3.008 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C[NH+](C)C ZINC000491590243 311185885 /nfs/dbraw/zinc/18/58/85/311185885.db2.gz YMHJTYJWRVULTE-ZDUSSCGKSA-N 2 0 340.393 3.178 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000492216779 311227475 /nfs/dbraw/zinc/22/74/75/311227475.db2.gz YFFKNOXWLFITRF-TWMKSMIVSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000495803679 311613676 /nfs/dbraw/zinc/61/36/76/311613676.db2.gz LCWTVMHZXQXDBK-MRXNPFEDSA-N 2 0 341.540 3.340 20 0 EGADRP O=C1OCCN1c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000496045221 311653384 /nfs/dbraw/zinc/65/33/84/311653384.db2.gz MJTOTRWHALNLSU-CEXWTWQISA-N 2 0 343.471 3.044 20 0 EGADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507465999 312073337 /nfs/dbraw/zinc/07/33/37/312073337.db2.gz CBFGRXFUTHRWKL-AYZHRIAMSA-N 2 0 330.516 3.284 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000510845808 312149163 /nfs/dbraw/zinc/14/91/63/312149163.db2.gz NYAGKWVQPOKMRG-WWDZGPRUSA-N 2 0 349.950 3.449 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000512261189 312180674 /nfs/dbraw/zinc/18/06/74/312180674.db2.gz NOKYEGJKQNBZIA-QGZVFWFLSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631409 312191176 /nfs/dbraw/zinc/19/11/76/312191176.db2.gz QRNHAKMSLHHXBY-QHAWAJNXSA-N 2 0 329.532 3.219 20 0 EGADRP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512636686 312191211 /nfs/dbraw/zinc/19/12/11/312191211.db2.gz NFLHYYCYTNVKQC-XUVXKRRUSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512654212 312191632 /nfs/dbraw/zinc/19/16/32/312191632.db2.gz KFCUVYXOWMGJSQ-KCLUMXDGSA-N 2 0 328.500 3.038 20 0 EGADRP CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513673734 312215259 /nfs/dbraw/zinc/21/52/59/312215259.db2.gz WLMYJJPPBSHBTI-PLACYPQZSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@@H](c1c(F)cccc1F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819325 312218259 /nfs/dbraw/zinc/21/82/59/312218259.db2.gz UTWBWUPFVOOYER-HNNXBMFYSA-N 2 0 338.442 3.460 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000514795361 312246236 /nfs/dbraw/zinc/24/62/36/312246236.db2.gz KWGOBYSGTFTKON-HZPDHXFCSA-N 2 0 330.394 3.059 20 0 EGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000514862840 312250578 /nfs/dbraw/zinc/25/05/78/312250578.db2.gz KVUWERXFMALFBL-RDJZCZTQSA-N 2 0 344.503 3.039 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343034 /nfs/dbraw/zinc/34/30/34/312343034.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 2 0 329.532 3.359 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)Cc1ccc(F)cc1 ZINC000517358465 312375789 /nfs/dbraw/zinc/37/57/89/312375789.db2.gz DGVXCQFNLMJNAO-OAQYLSRUSA-N 2 0 342.458 3.115 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000519765472 312477410 /nfs/dbraw/zinc/47/74/10/312477410.db2.gz PICGOROWWNQUHZ-IMRCBTMISA-N 2 0 332.879 3.270 20 0 EGADRP CCc1ccccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000526083374 312791067 /nfs/dbraw/zinc/79/10/67/312791067.db2.gz NXUPLNRRMRNDIB-OALUTQOASA-N 2 0 329.532 3.239 20 0 EGADRP OC1CC(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000528017438 313000869 /nfs/dbraw/zinc/00/08/69/313000869.db2.gz GYPKENFGGIGPBK-YWHRJQNKSA-N 2 0 328.500 3.038 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000529595410 313364375 /nfs/dbraw/zinc/36/43/75/313364375.db2.gz AKOQTETVYJLUGA-UHFFFAOYSA-N 2 0 349.466 3.273 20 0 EGADRP C(c1nc(C2CCCC2)no1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000530209504 313497052 /nfs/dbraw/zinc/49/70/52/313497052.db2.gz IGQZJMJNSBTXOX-JWTNVVGKSA-N 2 0 344.503 3.265 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2)[C@@H](C)C1 ZINC000536874271 314151591 /nfs/dbraw/zinc/15/15/91/314151591.db2.gz CPNOXOPXBPOLSY-NSHGMRRFSA-N 2 0 334.504 3.181 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1)CC(C)C ZINC000536887312 314152084 /nfs/dbraw/zinc/15/20/84/314152084.db2.gz WZEAPAOWPCUMLQ-QGZVFWFLSA-N 2 0 339.568 3.370 20 0 EGADRP C[C@@H]1C[C@@H]1c1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000539523707 314319268 /nfs/dbraw/zinc/31/92/68/314319268.db2.gz ZRNUAJXVXCOZQL-ZBFHGGJFSA-N 2 0 326.444 3.162 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000541572468 314470130 /nfs/dbraw/zinc/47/01/30/314470130.db2.gz MZISHMUDEHBRIP-HKUYNNGSSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCSC3)cc2)C[C@H]1C ZINC000543414867 314627076 /nfs/dbraw/zinc/62/70/76/314627076.db2.gz CJYXXQSZDWXACX-ZHALLVOQSA-N 2 0 348.556 3.291 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000550835856 315135779 /nfs/dbraw/zinc/13/57/79/315135779.db2.gz MIOYHMJEHBVHOJ-AOIWGVFYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552065121 315194861 /nfs/dbraw/zinc/19/48/61/315194861.db2.gz FYSSUZQQWZUPFU-HSALFYBXSA-N 2 0 330.516 3.428 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000552336450 315214068 /nfs/dbraw/zinc/21/40/68/315214068.db2.gz DPYVFRNDGZYJAY-NRFANRHFSA-N 2 0 347.522 3.297 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000554581983 315334918 /nfs/dbraw/zinc/33/49/18/315334918.db2.gz LYXDIVXEIKJPSE-INIZCTEOSA-N 2 0 334.504 3.265 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555548575 315389186 /nfs/dbraw/zinc/38/91/86/315389186.db2.gz AKXCBDDOGYOGSB-HIFRSBDPSA-N 2 0 337.305 3.238 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000563092908 315957496 /nfs/dbraw/zinc/95/74/96/315957496.db2.gz PDEFBNCISIHVNS-PKOBYXMFSA-N 2 0 329.488 3.171 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000563806138 316072306 /nfs/dbraw/zinc/07/23/06/316072306.db2.gz OMSCQQXCMWSXPQ-GHTZIAJQSA-N 2 0 348.531 3.184 20 0 EGADRP Cn1c2ccc(NC(=O)[C@@H]3[NH2+]CCc4ccccc43)cc2nc1C1CC1 ZINC000563960459 316097317 /nfs/dbraw/zinc/09/73/17/316097317.db2.gz RZUQQOMGAALLJB-LJQANCHMSA-N 2 0 346.434 3.276 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000564096009 316112702 /nfs/dbraw/zinc/11/27/02/316112702.db2.gz DAQMFACJGHJLBC-HZSPNIEDSA-N 2 0 332.410 3.100 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000564969685 316239488 /nfs/dbraw/zinc/23/94/88/316239488.db2.gz BPFGZVDDTZELFB-VXGBXAGGSA-N 2 0 334.382 3.242 20 0 EGADRP CCOc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000564969683 316239518 /nfs/dbraw/zinc/23/95/18/316239518.db2.gz BPFGZVDDTZELFB-NWDGAFQWSA-N 2 0 334.382 3.242 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000565626341 316348437 /nfs/dbraw/zinc/34/84/37/316348437.db2.gz ONZSZJYPBLKAGO-MRXNPFEDSA-N 2 0 336.545 3.433 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@H]3CCN([C@H](C)c4ccccc4)C3)cc12 ZINC000565674097 316355208 /nfs/dbraw/zinc/35/52/08/316355208.db2.gz GOOBHSIRNCMYFD-APWZRJJASA-N 2 0 349.482 3.202 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000565690421 316355619 /nfs/dbraw/zinc/35/56/19/316355619.db2.gz TXBDLEIXEXEJKA-CBQOVEMMSA-N 2 0 341.543 3.361 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565886147 316383502 /nfs/dbraw/zinc/38/35/02/316383502.db2.gz IBZXZRBQXIGARF-QSJFSLAZSA-N 2 0 349.906 3.343 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000566109556 316417855 /nfs/dbraw/zinc/41/78/55/316417855.db2.gz AGVSJZOGMXUIDR-OAQYLSRUSA-N 2 0 348.531 3.042 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000566229909 316439603 /nfs/dbraw/zinc/43/96/03/316439603.db2.gz SSTHONNAXDONDJ-QWHCGFSZSA-N 2 0 334.895 3.417 20 0 EGADRP Cc1cccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000566909369 316543632 /nfs/dbraw/zinc/54/36/32/316543632.db2.gz COHGDVNNWWOBOK-FQEVSTJZSA-N 2 0 348.531 3.082 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000567694150 316657221 /nfs/dbraw/zinc/65/72/21/316657221.db2.gz JTBWCLPYLBZYGS-UYSNPLJNSA-N 2 0 344.421 3.071 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000569350134 316901491 /nfs/dbraw/zinc/90/14/91/316901491.db2.gz VHZZLNFHALAZFW-XSCZYGRKSA-N 2 0 336.483 3.355 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000570918499 317126433 /nfs/dbraw/zinc/12/64/33/317126433.db2.gz RWNALQBVYQTBFL-AQNXPRMDSA-N 2 0 345.531 3.472 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000572148135 317298582 /nfs/dbraw/zinc/29/85/82/317298582.db2.gz OCGBSDAEDVYKCP-PCKAHOCUSA-N 2 0 330.394 3.292 20 0 EGADRP CCCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000572324775 317321490 /nfs/dbraw/zinc/32/14/90/317321490.db2.gz HVMAFRATRMOETH-MSOLQXFVSA-N 2 0 332.488 3.400 20 0 EGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1cccc(Cl)c1 ZINC000572631746 317367437 /nfs/dbraw/zinc/36/74/37/317367437.db2.gz FLPIPMOWRMSUGR-LJQANCHMSA-N 2 0 336.907 3.240 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1CC[NH+](CC)CC1)CCC2 ZINC000573650599 317512670 /nfs/dbraw/zinc/51/26/70/317512670.db2.gz LFVIXTMILXUCQS-INIZCTEOSA-N 2 0 348.487 3.464 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000186587056 455800455 /nfs/dbraw/zinc/80/04/55/455800455.db2.gz XTKQYIDKPOOSBD-KBPBESRZSA-N 2 0 327.875 3.156 20 0 EGADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171384575 323232314 /nfs/dbraw/zinc/23/23/14/323232314.db2.gz NRPLBZCTKCFIRR-ROUUACIJSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000177902895 323347829 /nfs/dbraw/zinc/34/78/29/323347829.db2.gz FZSYLXUAIYJGIV-CZUORRHYSA-N 2 0 330.394 3.404 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000382623992 324252443 /nfs/dbraw/zinc/25/24/43/324252443.db2.gz MPYAGMAKZHVCMV-IXDOHACOSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000382829129 324254292 /nfs/dbraw/zinc/25/42/92/324254292.db2.gz GYIVQRVSQGCKEW-CRAIPNDOSA-N 2 0 347.503 3.141 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004348 324293026 /nfs/dbraw/zinc/29/30/26/324293026.db2.gz KSUKHUOURLFNGU-HLAWJBBLSA-N 3 0 329.532 3.219 20 0 EGADRP Cc1cnccc1CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000397526160 324294887 /nfs/dbraw/zinc/29/48/87/324294887.db2.gz QILYPMNGUQNNOX-FGZHOGPDSA-N 2 0 335.495 3.386 20 0 EGADRP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCCCC1 ZINC000575201515 324437729 /nfs/dbraw/zinc/43/77/29/324437729.db2.gz ASKYQXZJEDZEES-KRWDZBQOSA-N 2 0 349.906 3.255 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)C1 ZINC000576924965 324707878 /nfs/dbraw/zinc/70/78/78/324707878.db2.gz CXUSLQYIFSJOAF-MOPGFXCFSA-N 2 0 343.446 3.092 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(C)c1O ZINC000578368463 324958974 /nfs/dbraw/zinc/95/89/74/324958974.db2.gz RHFWDCTYGIKVRV-QZTJIDSGSA-N 2 0 346.515 3.330 20 0 EGADRP CC(C)CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C ZINC000578672476 325002660 /nfs/dbraw/zinc/00/26/60/325002660.db2.gz HLLKYXDXTSVJNN-IAGOWNOFSA-N 2 0 325.541 3.014 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578738853 325011314 /nfs/dbraw/zinc/01/13/14/325011314.db2.gz GUMUIDVDMDMAFT-AFAVFJNCSA-N 2 0 335.879 3.035 20 0 EGADRP CC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC1(C)C ZINC000578857790 325028282 /nfs/dbraw/zinc/02/82/82/325028282.db2.gz YTVINRVUENRTJO-AABGKKOBSA-N 2 0 329.532 3.389 20 0 EGADRP Cc1ccc(CC[C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000579279600 325087920 /nfs/dbraw/zinc/08/79/20/325087920.db2.gz QDPZIWHDAMHNAC-SFHVURJKSA-N 2 0 341.499 3.441 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000579287594 325088227 /nfs/dbraw/zinc/08/82/27/325088227.db2.gz LYKYFSGNGLGVIU-DLBZAZTESA-N 2 0 334.504 3.263 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C1 ZINC000579495126 325119039 /nfs/dbraw/zinc/11/90/39/325119039.db2.gz NUNBBJMXHWKOMK-QWHCGFSZSA-N 2 0 336.277 3.332 20 0 EGADRP CCC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000579746928 325154213 /nfs/dbraw/zinc/15/42/13/325154213.db2.gz XGQJWDGRFMRASV-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)C[C@@H](CNC(=O)CC1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000579828774 325164504 /nfs/dbraw/zinc/16/45/04/325164504.db2.gz PSMLGXXBMHDYBT-XLIONFOSSA-N 2 0 345.531 3.258 20 0 EGADRP Cc1nc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080304 325201443 /nfs/dbraw/zinc/20/14/43/325201443.db2.gz CBLMQMRGTWVYKQ-LSDHHAIUSA-N 2 0 331.847 3.345 20 0 EGADRP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000580095205 325203478 /nfs/dbraw/zinc/20/34/78/325203478.db2.gz LVINDKNCYOWQNN-GOEBONIOSA-N 2 0 330.501 3.409 20 0 EGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000580414196 325247351 /nfs/dbraw/zinc/24/73/51/325247351.db2.gz HHMNDOPJMVGCST-QAPCUYQASA-N 2 0 335.455 3.288 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000580475796 325255596 /nfs/dbraw/zinc/25/55/96/325255596.db2.gz NJCMKRNDOKICPF-GOSISDBHSA-N 2 0 332.536 3.146 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000580659437 325280271 /nfs/dbraw/zinc/28/02/71/325280271.db2.gz SNEKSFVDQFVBTD-APWZRJJASA-N 2 0 329.488 3.395 20 0 EGADRP Cc1ccc2cc([C@@H](C)NCc3nnc(C4CC[NH2+]CC4)[nH]3)oc2c1 ZINC000580709313 325286909 /nfs/dbraw/zinc/28/69/09/325286909.db2.gz OTRNESOBJDWWSL-CYBMUJFWSA-N 2 0 339.443 3.177 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000580772760 325294835 /nfs/dbraw/zinc/29/48/35/325294835.db2.gz UUEMHKBTWZIPIX-INIZCTEOSA-N 2 0 329.488 3.247 20 0 EGADRP FC(F)(F)c1ccccc1[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000580893161 325306397 /nfs/dbraw/zinc/30/63/97/325306397.db2.gz IVAXJWJGUIOOBG-QGZVFWFLSA-N 2 0 341.421 3.138 20 0 EGADRP O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581249692 325345942 /nfs/dbraw/zinc/34/59/42/325345942.db2.gz DBAXTHWKLUUYIM-LJQANCHMSA-N 2 0 349.478 3.183 20 0 EGADRP Cn1cncc1CCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000581318741 325351823 /nfs/dbraw/zinc/35/18/23/325351823.db2.gz GRXQTUTVCTWTQG-HNNXBMFYSA-N 2 0 345.409 3.034 20 0 EGADRP C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)Cn1cccn1 ZINC000581404334 325358077 /nfs/dbraw/zinc/35/80/77/325358077.db2.gz WPJWDDWVBKHHHY-GOSISDBHSA-N 2 0 328.504 3.267 20 0 EGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000581546935 325370756 /nfs/dbraw/zinc/37/07/56/325370756.db2.gz OVROSZMUCKOXTG-MJQMVNBJSA-N 2 0 348.535 3.177 20 0 EGADRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 ZINC000581708345 325384179 /nfs/dbraw/zinc/38/41/79/325384179.db2.gz CDNPXPXRFFJAQJ-LEWJYISDSA-N 2 0 338.499 3.111 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000173384721 455276708 /nfs/dbraw/zinc/27/67/08/455276708.db2.gz JKJZIZRJCMFRLL-CABCVRRESA-N 2 0 343.437 3.240 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)CCc2ccccc2)CC[NH2+]CC1 ZINC000600712727 460575157 /nfs/dbraw/zinc/57/51/57/460575157.db2.gz XOXQOBIZEHXWAY-HKUYNNGSSA-N 2 0 346.515 3.309 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575268 455333570 /nfs/dbraw/zinc/33/35/70/455333570.db2.gz HPSHPEBCRNMBCB-VSKRKVRLSA-N 2 0 341.543 3.457 20 0 EGADRP CC(C)c1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158926888 455337906 /nfs/dbraw/zinc/33/79/06/455337906.db2.gz SIDMMNREBCXDDE-APWZRJJASA-N 2 0 329.488 3.165 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CC[NH+](C)CC3)cc2)C1 ZINC000081264096 453854544 /nfs/dbraw/zinc/85/45/44/453854544.db2.gz GHQHALFBOKPTDX-MRXNPFEDSA-N 2 0 329.488 3.199 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076425756 454000353 /nfs/dbraw/zinc/00/03/53/454000353.db2.gz NFGMUCDIEMWDEJ-HXUWFJFHSA-N 2 0 343.515 3.163 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523248 454064430 /nfs/dbraw/zinc/06/44/30/454064430.db2.gz UVBGNDYGAKGOJT-INIZCTEOSA-N 2 0 331.504 3.240 20 0 EGADRP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524081 454064536 /nfs/dbraw/zinc/06/45/36/454064536.db2.gz HODATJSKSLKPDS-IAGOWNOFSA-N 2 0 343.515 3.016 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000057893869 454155406 /nfs/dbraw/zinc/15/54/06/454155406.db2.gz DVKPPJFGKLKALN-FUHWJXTLSA-N 2 0 345.512 3.160 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)N1CCC(C)CC1 ZINC000071124216 454201166 /nfs/dbraw/zinc/20/11/66/454201166.db2.gz JJVYXOIOCSPRRG-GOSISDBHSA-N 2 0 345.531 3.265 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(Cl)c1 ZINC000046438952 454252503 /nfs/dbraw/zinc/25/25/03/454252503.db2.gz YHYHPDDIYDZIQR-UHFFFAOYSA-N 2 0 340.899 3.077 20 0 EGADRP CN(Cc1cscn1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000120238626 454277285 /nfs/dbraw/zinc/27/72/85/454277285.db2.gz WKGJHAWOYVLPBV-UHFFFAOYSA-N 2 0 344.528 3.306 20 0 EGADRP c1ccc(CCOCCC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000131740513 454281308 /nfs/dbraw/zinc/28/13/08/454281308.db2.gz BNZXABRSHRKPCX-HXUWFJFHSA-N 2 0 326.440 3.184 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCSc2ccccc21)N1CC[NH+](C)CC1 ZINC000132306859 454328771 /nfs/dbraw/zinc/32/87/71/454328771.db2.gz NRXJRKUMAKERTI-ROUUACIJSA-N 2 0 333.545 3.085 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000090666868 454334392 /nfs/dbraw/zinc/33/43/92/454334392.db2.gz JPNSWNMBYKKCEK-NRFANRHFSA-N 2 0 344.547 3.146 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCSc3ccccc32)ccn1 ZINC000090936859 454351216 /nfs/dbraw/zinc/35/12/16/454351216.db2.gz LWULEJHHNZIWKU-QGZVFWFLSA-N 2 0 343.496 3.349 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000090936482 454351579 /nfs/dbraw/zinc/35/15/79/454351579.db2.gz GVEHFAAUQMMCPF-LZLYRXPVSA-N 2 0 334.504 3.202 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000090937320 454352855 /nfs/dbraw/zinc/35/28/55/454352855.db2.gz QVMLWGFHQZWKQN-GOSISDBHSA-N 2 0 331.435 3.402 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)CN1CC[NH+](C)CC1 ZINC000120866055 454358191 /nfs/dbraw/zinc/35/81/91/454358191.db2.gz YRZYEJGIBVVSEJ-KBPBESRZSA-N 2 0 327.875 3.013 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000120950006 454368879 /nfs/dbraw/zinc/36/88/79/454368879.db2.gz WQRPJRXUGIPGPK-KBPBESRZSA-N 2 0 327.875 3.013 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000121183457 454402902 /nfs/dbraw/zinc/40/29/02/454402902.db2.gz UEUSXYKLVHJAMD-DNVCBOLYSA-N 2 0 339.474 3.279 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000097230650 454427870 /nfs/dbraw/zinc/42/78/70/454427870.db2.gz IRWUICBUFRGLEJ-SJORKVTESA-N 2 0 349.494 3.045 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073418227 454434225 /nfs/dbraw/zinc/43/42/25/454434225.db2.gz UCJOPLLTBONAFM-SFHVURJKSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000133638270 454449623 /nfs/dbraw/zinc/44/96/23/454449623.db2.gz BCXTUSIMQMMGNE-IPYPFGDCSA-N 2 0 330.394 3.403 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000079905145 454497049 /nfs/dbraw/zinc/49/70/49/454497049.db2.gz CGLUPTSUVYFBEU-HXUWFJFHSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000122313384 454522099 /nfs/dbraw/zinc/52/20/99/454522099.db2.gz GXGPXBWYQYJWBE-XLIONFOSSA-N 2 0 345.531 3.249 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000122792459 454569102 /nfs/dbraw/zinc/56/91/02/454569102.db2.gz KEVMTEGYVPVBIM-JKSUJKDBSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C[C@@H](C)O1 ZINC000092587525 454590748 /nfs/dbraw/zinc/59/07/48/454590748.db2.gz XBKHQLLFDGPCCG-HUUCEWRRSA-N 2 0 349.544 3.342 20 0 EGADRP CC[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000123131936 454605890 /nfs/dbraw/zinc/60/58/90/454605890.db2.gz PUGNHVATRVPTJK-AZUAARDMSA-N 2 0 338.499 3.224 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000092740002 454622802 /nfs/dbraw/zinc/62/28/02/454622802.db2.gz RGHGQOHRTWORSX-ROUUACIJSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccc(N)cc3)n1)CC[NH2+]CC2 ZINC000634996485 460644588 /nfs/dbraw/zinc/64/45/88/460644588.db2.gz LHPDEBMXWNVACF-MRXNPFEDSA-N 2 0 336.483 3.295 20 0 EGADRP C[N@@H+](CCC(=O)OC(C)(C)C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821477 454639403 /nfs/dbraw/zinc/63/94/03/454639403.db2.gz ABHZQNLQCOMBDR-UHFFFAOYSA-N 2 0 347.503 3.352 20 0 EGADRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000123538914 454649072 /nfs/dbraw/zinc/64/90/72/454649072.db2.gz SYQBFVZNHBCYLS-HNNXBMFYSA-N 2 0 335.398 3.476 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1 ZINC000052208627 454661113 /nfs/dbraw/zinc/66/11/13/454661113.db2.gz CUIFFYQSLCHAMS-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP CCOc1ccccc1[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007032 460649977 /nfs/dbraw/zinc/64/99/77/460649977.db2.gz DCNPOZPLGMDHNY-HNNXBMFYSA-N 2 0 326.444 3.063 20 0 EGADRP CCCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000136188877 454727380 /nfs/dbraw/zinc/72/73/80/454727380.db2.gz PSHUYBZZMIFMEC-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP Cc1nccn1CCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000161904216 454735006 /nfs/dbraw/zinc/73/50/06/454735006.db2.gz VDWQTMQOTXUSKO-FQEVSTJZSA-N 2 0 332.536 3.416 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635007829 460651885 /nfs/dbraw/zinc/65/18/85/460651885.db2.gz BNDHPJDAIQKLMJ-GXTWGEPZSA-N 2 0 325.522 3.069 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)cc1 ZINC000124545988 454746820 /nfs/dbraw/zinc/74/68/20/454746820.db2.gz GCDBYOCHMHUKAJ-JOCHJYFZSA-N 2 0 343.559 3.179 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000153170566 454767042 /nfs/dbraw/zinc/76/70/42/454767042.db2.gz AJLTVIARIJYCPH-INMHGKMJSA-N 2 0 334.504 3.300 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000124817140 454773146 /nfs/dbraw/zinc/77/31/46/454773146.db2.gz DIKYXQXVOAKZGW-MGPUTAFESA-N 2 0 346.446 3.150 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000138004065 454788344 /nfs/dbraw/zinc/78/83/44/454788344.db2.gz GZYXHXSBTIZOJC-SFHVURJKSA-N 2 0 326.488 3.293 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162860 454801250 /nfs/dbraw/zinc/80/12/50/454801250.db2.gz TYWCIGDWQPRJPP-OALUTQOASA-N 2 0 328.456 3.300 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000163032396 454818666 /nfs/dbraw/zinc/81/86/66/454818666.db2.gz RYVMYWNGOSKCAO-SQNIBIBYSA-N 2 0 339.593 3.056 20 0 EGADRP COc1ccc(Oc2cc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)ccn2)cc1 ZINC000163438232 454847567 /nfs/dbraw/zinc/84/75/67/454847567.db2.gz NWZVRDKGWBTVMW-RDJZCZTQSA-N 2 0 341.455 3.455 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000177315905 454851270 /nfs/dbraw/zinc/85/12/70/454851270.db2.gz LSQVEGOQNWNMPN-LAUBAEHRSA-N 2 0 341.474 3.141 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)n1 ZINC000150773344 454889883 /nfs/dbraw/zinc/88/98/83/454889883.db2.gz MQDUIHFSIGEPPO-FQEVSTJZSA-N 2 0 338.499 3.407 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000154405888 454893604 /nfs/dbraw/zinc/89/36/04/454893604.db2.gz QISHCKYRSSTPCW-KBXCAEBGSA-N 2 0 334.485 3.073 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c(C)n1 ZINC000165173094 454896136 /nfs/dbraw/zinc/89/61/36/454896136.db2.gz BLIFXDRYMIPJSA-HNNXBMFYSA-N 2 0 342.487 3.275 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165884694 454905850 /nfs/dbraw/zinc/90/58/50/454905850.db2.gz YRLORWGMBOFHCI-OXJNMPFZSA-N 2 0 345.531 3.441 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000166000032 454906453 /nfs/dbraw/zinc/90/64/53/454906453.db2.gz QNKFRQUWXPZLHL-XJKSGUPXSA-N 2 0 343.309 3.457 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000166013718 454906540 /nfs/dbraw/zinc/90/65/40/454906540.db2.gz AKYIJCFAOKPKSG-FUHWJXTLSA-N 2 0 332.488 3.379 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CCN1C ZINC000166154738 454908488 /nfs/dbraw/zinc/90/84/88/454908488.db2.gz WKLDNKMAEKGVAZ-PBHICJAKSA-N 2 0 337.458 3.002 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000150984172 454921816 /nfs/dbraw/zinc/92/18/16/454921816.db2.gz UVPHLGYTFHLJOO-AWEZNQCLSA-N 2 0 343.437 3.382 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000178005672 454926225 /nfs/dbraw/zinc/92/62/25/454926225.db2.gz PAEMZKFRENNTSY-SFHVURJKSA-N 2 0 340.515 3.303 20 0 EGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000178033628 454928974 /nfs/dbraw/zinc/92/89/74/454928974.db2.gz CALSXNQYYLMLKY-ULQDDVLXSA-N 2 0 347.503 3.185 20 0 EGADRP C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000169127397 454929378 /nfs/dbraw/zinc/92/93/78/454929378.db2.gz UHFPFEITKHAIQR-UTKZUKDTSA-N 2 0 342.483 3.185 20 0 EGADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000178039333 454929670 /nfs/dbraw/zinc/92/96/70/454929670.db2.gz PJTZPYIOPKMERH-LZWOXQAQSA-N 2 0 337.533 3.308 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000178698991 454968137 /nfs/dbraw/zinc/96/81/37/454968137.db2.gz SZSUAMHBNUIQAF-PXNSSMCTSA-N 3 0 326.488 3.082 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000178797485 454978852 /nfs/dbraw/zinc/97/88/52/454978852.db2.gz XCIZONKCELMMKE-GOSISDBHSA-N 2 0 346.519 3.238 20 0 EGADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)o1 ZINC000115616600 455022991 /nfs/dbraw/zinc/02/29/91/455022991.db2.gz CAJGJFVMOISOQX-INIZCTEOSA-N 2 0 345.462 3.120 20 0 EGADRP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000179482255 455050659 /nfs/dbraw/zinc/05/06/59/455050659.db2.gz NERDVHZHBKTPJG-YJBOKZPZSA-N 2 0 327.428 3.048 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000116308474 455052499 /nfs/dbraw/zinc/05/24/99/455052499.db2.gz OKKZVQIHDSJMQF-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)[C@H](C)C1 ZINC000129060356 455097078 /nfs/dbraw/zinc/09/70/78/455097078.db2.gz AXCLYWWUJPNTPV-QRQLOZEOSA-N 2 0 333.495 3.423 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000623656204 460663023 /nfs/dbraw/zinc/66/30/23/460663023.db2.gz PAPZQBWTHBSNMR-QGZVFWFLSA-N 2 0 326.444 3.090 20 0 EGADRP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000119033102 455121524 /nfs/dbraw/zinc/12/15/24/455121524.db2.gz OYOJPNWKEYSUGR-POAQFYNOSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@H]([NH2+]CC1(O)CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000129817450 455127568 /nfs/dbraw/zinc/12/75/68/455127568.db2.gz FUMANTWJHHWVTH-KRWDZBQOSA-N 2 0 334.504 3.363 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000119192807 455132053 /nfs/dbraw/zinc/13/20/53/455132053.db2.gz KZHNXLABBJEGKI-NSHGMRRFSA-N 2 0 345.531 3.295 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657175 460665599 /nfs/dbraw/zinc/66/55/99/460665599.db2.gz KUTFAXOZLOFRDX-VQTJNVASSA-N 2 0 329.532 3.361 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000263963497 455173790 /nfs/dbraw/zinc/17/37/90/455173790.db2.gz JKNKJVYXDWKITG-HXUWFJFHSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180497196 455182859 /nfs/dbraw/zinc/18/28/59/455182859.db2.gz GFTKKTSQOLHBDP-DENIHFKCSA-N 2 0 337.511 3.310 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237408565 455182923 /nfs/dbraw/zinc/18/29/23/455182923.db2.gz HZEZSIWLVYQJPN-UZLBHIALSA-N 2 0 337.467 3.028 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237714050 455210913 /nfs/dbraw/zinc/21/09/13/455210913.db2.gz BAVZFPBKEHZXEF-ZIFCJYIRSA-N 2 0 345.531 3.339 20 0 EGADRP CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000183053403 455217752 /nfs/dbraw/zinc/21/77/52/455217752.db2.gz AQONMSNMMLFCFI-HOTGVXAUSA-N 2 0 349.544 3.198 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC[C@@H]21 ZINC000245514838 455319735 /nfs/dbraw/zinc/31/97/35/455319735.db2.gz GKIVDDMIDIWRLD-NRSPTQNISA-N 2 0 344.499 3.161 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000183949130 455342431 /nfs/dbraw/zinc/34/24/31/455342431.db2.gz RFVLDSGTGXMMGF-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCC2 ZINC000181627285 455365095 /nfs/dbraw/zinc/36/50/95/455365095.db2.gz SGTGWMGUXGPDMS-RBUKOAKNSA-N 2 0 332.488 3.064 20 0 EGADRP CCCCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1(C)C ZINC000181661019 455369425 /nfs/dbraw/zinc/36/94/25/455369425.db2.gz FHINGTQMTXKMEW-ROUUACIJSA-N 2 0 326.525 3.061 20 0 EGADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1(C)C ZINC000181661037 455369844 /nfs/dbraw/zinc/36/98/44/455369844.db2.gz FHINGTQMTXKMEW-QZTJIDSGSA-N 2 0 326.525 3.061 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174520172 455400325 /nfs/dbraw/zinc/40/03/25/455400325.db2.gz IUCUGHCTLFVNTQ-FQEVSTJZSA-N 2 0 345.531 3.306 20 0 EGADRP CCCn1nc(C)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246101088 455426404 /nfs/dbraw/zinc/42/64/04/455426404.db2.gz JGDYCAGXACKXEB-FXAWDEMLSA-N 2 0 330.520 3.359 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000182258748 455474965 /nfs/dbraw/zinc/47/49/65/455474965.db2.gz FAEDGEPGQNIRNY-PZJWPPBQSA-N 2 0 340.442 3.169 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246491738 455500406 /nfs/dbraw/zinc/50/04/06/455500406.db2.gz IJGAWIWUGQMYIK-YZGWKJHDSA-N 2 0 343.515 3.030 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@@H](C)C1 ZINC000246874024 455532655 /nfs/dbraw/zinc/53/26/55/455532655.db2.gz DPZMTJUVWRMTIK-ICSRJNTNSA-N 2 0 330.516 3.363 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247038638 455549002 /nfs/dbraw/zinc/54/90/02/455549002.db2.gz OBEIEOGPCHYGTL-LLGFUMIMSA-N 2 0 340.515 3.432 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000267401416 455550076 /nfs/dbraw/zinc/55/00/76/455550076.db2.gz ZWIVOBWWQUIAPP-SFHVURJKSA-N 2 0 343.515 3.384 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192105837 455557048 /nfs/dbraw/zinc/55/70/48/455557048.db2.gz YHWQPDFAHXCGQZ-IAOVAPTHSA-N 2 0 326.843 3.383 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192138284 455563197 /nfs/dbraw/zinc/56/31/97/455563197.db2.gz GNNADEYTAIZWDF-QZTJIDSGSA-N 2 0 335.398 3.370 20 0 EGADRP COc1ccccc1CCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000182667156 455564209 /nfs/dbraw/zinc/56/42/09/455564209.db2.gz UCRRHAGUVKSPLF-QGZVFWFLSA-N 2 0 327.472 3.316 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000247303843 455586139 /nfs/dbraw/zinc/58/61/39/455586139.db2.gz VIBQFZRPCDNRIF-LPHOPBHVSA-N 2 0 329.488 3.395 20 0 EGADRP CC(C)COc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000185895008 455645833 /nfs/dbraw/zinc/64/58/33/455645833.db2.gz KHPYZTQLJLPHEW-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)c1cccc(OC)c1 ZINC000247892861 455653747 /nfs/dbraw/zinc/65/37/47/455653747.db2.gz FVRCKKKUKPTYRT-JRGCBEDISA-N 2 0 347.547 3.398 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000271492126 455657334 /nfs/dbraw/zinc/65/73/34/455657334.db2.gz KNKNZYGXGWKBPZ-GBESFXJTSA-N 2 0 334.891 3.295 20 0 EGADRP CC(C)CC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247993836 455667732 /nfs/dbraw/zinc/66/77/32/455667732.db2.gz JSLXWKGUQYZPAX-YLJYHZDGSA-N 2 0 345.531 3.298 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998772 455667939 /nfs/dbraw/zinc/66/79/39/455667939.db2.gz KDXDQRYRMCDUOG-GOEBONIOSA-N 2 0 346.862 3.306 20 0 EGADRP COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000248021305 455670696 /nfs/dbraw/zinc/67/06/96/455670696.db2.gz NWFMYUJINMRXHU-NLEAXPPASA-N 2 0 345.531 3.150 20 0 EGADRP O[C@H]([C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1)C(F)(F)F ZINC000277812178 455673276 /nfs/dbraw/zinc/67/32/76/455673276.db2.gz QGLGYFIMBXVBBL-GOEBONIOSA-N 2 0 339.361 3.008 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OCC ZINC000248044602 455675229 /nfs/dbraw/zinc/67/52/29/455675229.db2.gz UOWJMUMEBSNYNE-SOLBZPMBSA-N 2 0 334.504 3.345 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271555449 455683302 /nfs/dbraw/zinc/68/33/02/455683302.db2.gz WPVYSOOVAGCJFN-FMKPAKJESA-N 2 0 330.501 3.066 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186107441 455695176 /nfs/dbraw/zinc/69/51/76/455695176.db2.gz OKXHCVSXSPJISY-UYAOXDASSA-N 2 0 329.532 3.296 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178127 455695320 /nfs/dbraw/zinc/69/53/20/455695320.db2.gz VZPPTTSJSYNWJH-CRAIPNDOSA-N 2 0 329.419 3.397 20 0 EGADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268883279 455717100 /nfs/dbraw/zinc/71/71/00/455717100.db2.gz BEYNGPXLVMJTKI-ROUUACIJSA-N 2 0 336.520 3.322 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635141258 460688443 /nfs/dbraw/zinc/68/84/43/460688443.db2.gz PRIRUARCIOAZKS-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCC4OCCCO4)CC[C@@H]32)cc1 ZINC000268975820 455750741 /nfs/dbraw/zinc/75/07/41/455750741.db2.gz JDBKGKSEYKCGSN-PMACEKPBSA-N 2 0 344.499 3.126 20 0 EGADRP CCCCCOc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268984056 455752431 /nfs/dbraw/zinc/75/24/31/455752431.db2.gz LADKLLLVGTYDGS-KRWDZBQOSA-N 2 0 334.504 3.363 20 0 EGADRP CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269014185 455763651 /nfs/dbraw/zinc/76/36/51/455763651.db2.gz YCPHFEGFLKDMCC-MSOLQXFVSA-N 2 0 336.520 3.322 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000269083892 455786165 /nfs/dbraw/zinc/78/61/65/455786165.db2.gz PDFWAEPOSAEXBH-LFGUQSLTSA-N 2 0 327.516 3.254 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000186568447 455795526 /nfs/dbraw/zinc/79/55/26/455795526.db2.gz JCDQSFBNUSIUDK-HUUCEWRRSA-N 2 0 339.524 3.224 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186569546 455796162 /nfs/dbraw/zinc/79/61/62/455796162.db2.gz SWGAQPCBDHHANL-QZTJIDSGSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000186587111 455799806 /nfs/dbraw/zinc/79/98/06/455799806.db2.gz XTKQYIDKPOOSBD-ZIAGYGMSSA-N 2 0 327.875 3.156 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186589257 455800571 /nfs/dbraw/zinc/80/05/71/455800571.db2.gz ZBNOHUDNXLYOGT-RBUKOAKNSA-N 2 0 347.547 3.398 20 0 EGADRP CCCN(C(=O)c1ccc(C[N@H+](CC)CCC)cc1)[C@@H]1CC[NH2+]C1 ZINC000269167935 455802026 /nfs/dbraw/zinc/80/20/26/455802026.db2.gz GICFIVJTTFSDFS-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000186604318 455803986 /nfs/dbraw/zinc/80/39/86/455803986.db2.gz KUPDGPXQISCIMU-GJZGRUSLSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000194197860 455813938 /nfs/dbraw/zinc/81/39/38/455813938.db2.gz AWTVUWPYMRVHMY-GOSISDBHSA-N 2 0 338.499 3.117 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CCCCCC[NH3+] ZINC000269250405 455821548 /nfs/dbraw/zinc/82/15/48/455821548.db2.gz XOVCKGODFOXNEJ-UHFFFAOYSA-N 2 0 335.492 3.255 20 0 EGADRP CCc1nnc([C@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000285323634 455823532 /nfs/dbraw/zinc/82/35/32/455823532.db2.gz TYAIXBRWWJYDPE-ZLPCBKJTSA-N 2 0 341.503 3.461 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000253554887 455853919 /nfs/dbraw/zinc/85/39/19/455853919.db2.gz WVAZCPFYEUILPY-JXFKEZNVSA-N 2 0 337.467 3.389 20 0 EGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000186981718 455858715 /nfs/dbraw/zinc/85/87/15/455858715.db2.gz DWVCSESUBKHNPX-RTWAWAEBSA-N 2 0 331.548 3.115 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)Cc1ccccc1 ZINC000296192755 455876817 /nfs/dbraw/zinc/87/68/17/455876817.db2.gz YOVVPSRLXGBKDM-NZSAHSFTSA-N 2 0 326.488 3.432 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCS2 ZINC000187182248 455877460 /nfs/dbraw/zinc/87/74/60/455877460.db2.gz NLKHUXOJRVQWKY-AEFFLSMTSA-N 2 0 333.545 3.066 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000194849268 455890769 /nfs/dbraw/zinc/89/07/69/455890769.db2.gz OBGZKWDGJLNGNE-HXUWFJFHSA-N 2 0 345.531 3.080 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)CCn2cccn2)cc1 ZINC000272330804 455916969 /nfs/dbraw/zinc/91/69/69/455916969.db2.gz KKMNRGUTVLBUHS-SFHVURJKSA-N 2 0 344.503 3.172 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652747 455922561 /nfs/dbraw/zinc/92/25/61/455922561.db2.gz GLZCTVGDWLUIHM-IPELMVKDSA-N 2 0 348.450 3.472 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)c1 ZINC000261721024 455934981 /nfs/dbraw/zinc/93/49/81/455934981.db2.gz JOZYDIRPBMOQJW-YLJYHZDGSA-N 2 0 338.455 3.190 20 0 EGADRP CCCOc1c(Cl)cc(CN2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261745382 455939906 /nfs/dbraw/zinc/93/99/06/455939906.db2.gz KUSHLNGUSBPNEU-KRWDZBQOSA-N 2 0 326.868 3.308 20 0 EGADRP O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000261754198 455940673 /nfs/dbraw/zinc/94/06/73/455940673.db2.gz HNOUCTNNBKSTCD-LJQANCHMSA-N 2 0 343.515 3.069 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296448736 455941778 /nfs/dbraw/zinc/94/17/78/455941778.db2.gz MQHQNLRAFBJWOK-AWEZNQCLSA-N 2 0 333.501 3.285 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000280308924 455944041 /nfs/dbraw/zinc/94/40/41/455944041.db2.gz PKIJOMRDWVWWHW-RHSMWYFYSA-N 2 0 344.421 3.490 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1c1ccccc1 ZINC000261814729 455953311 /nfs/dbraw/zinc/95/33/11/455953311.db2.gz RTJNKCANHWIISB-CTNGQTDRSA-N 2 0 332.451 3.047 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccccc2C)c1 ZINC000296540740 455968118 /nfs/dbraw/zinc/96/81/18/455968118.db2.gz TVVMRNMICGGYPU-IBGZPJMESA-N 2 0 325.456 3.475 20 0 EGADRP COc1ccc(C[N@H+](CCc2ccccn2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261912996 455970046 /nfs/dbraw/zinc/97/00/46/455970046.db2.gz JNGYJMJMHPPVBF-LJQANCHMSA-N 2 0 339.483 3.135 20 0 EGADRP COc1ccc(C[N@H+](CCc2ccccn2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261912985 455970636 /nfs/dbraw/zinc/97/06/36/455970636.db2.gz JNGYJMJMHPPVBF-IBGZPJMESA-N 2 0 339.483 3.135 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CC[C@@H]2CC[NH2+]C2)CCCC1)c1ccccc1 ZINC000261917013 455971848 /nfs/dbraw/zinc/97/18/48/455971848.db2.gz XDQCASGWNAQGOE-ZWKOTPCHSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000272508986 455975783 /nfs/dbraw/zinc/97/57/83/455975783.db2.gz MIKZUGXESZCJRM-LAUBAEHRSA-N 2 0 345.506 3.235 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286089292 455975998 /nfs/dbraw/zinc/97/59/98/455975998.db2.gz MPLYTIFZRFYIFF-INIZCTEOSA-N 2 0 345.487 3.324 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261982343 455981336 /nfs/dbraw/zinc/98/13/36/455981336.db2.gz RNKFRAZALFXZCO-GFCCVEGCSA-N 2 0 344.286 3.253 20 0 EGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000262032248 455987162 /nfs/dbraw/zinc/98/71/62/455987162.db2.gz XIFLKIMFYJAHNX-NEPJUHHUSA-N 2 0 338.377 3.265 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262121216 456001295 /nfs/dbraw/zinc/00/12/95/456001295.db2.gz KCIFVQBRUIHUER-ICSRJNTNSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000272592898 456006811 /nfs/dbraw/zinc/00/68/11/456006811.db2.gz SICNKVNSIUJZQV-OAHLLOKOSA-N 2 0 331.460 3.026 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262318533 456025322 /nfs/dbraw/zinc/02/53/22/456025322.db2.gz DVQZIEDXEJLGAZ-IJJCLKFXSA-N 2 0 349.563 3.157 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000262709700 456054620 /nfs/dbraw/zinc/05/46/20/456054620.db2.gz PEZHNQVLEYIKMC-HXUWFJFHSA-N 2 0 344.503 3.439 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280930536 456085596 /nfs/dbraw/zinc/08/55/96/456085596.db2.gz VADKXWFNMIXTMS-YLJYHZDGSA-N 2 0 327.472 3.001 20 0 EGADRP c1cncc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CCC2)c1 ZINC000280934780 456086529 /nfs/dbraw/zinc/08/65/29/456086529.db2.gz SAZMVYOGNOKFOA-UZLBHIALSA-N 2 0 329.488 3.013 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271187683 456161999 /nfs/dbraw/zinc/16/19/99/456161999.db2.gz KIUXZNANRCHEIQ-ROUUACIJSA-N 2 0 340.515 3.158 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000236656096 456163894 /nfs/dbraw/zinc/16/38/94/456163894.db2.gz VPOXBXNFAMYSFF-INIZCTEOSA-N 2 0 331.504 3.093 20 0 EGADRP Cc1noc(C)c1C[NH2+]C[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000236693534 456169690 /nfs/dbraw/zinc/16/96/90/456169690.db2.gz QNGRTYLVZZRUMF-HXUWFJFHSA-N 2 0 327.472 3.464 20 0 EGADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000297299216 456177339 /nfs/dbraw/zinc/17/73/39/456177339.db2.gz BBCURIFFGCGIMQ-GOSISDBHSA-N 2 0 331.847 3.027 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000297330103 456187060 /nfs/dbraw/zinc/18/70/60/456187060.db2.gz CUGMJMLFRUVUFZ-XIKSMUEASA-N 2 0 348.556 3.396 20 0 EGADRP COCOc1ccc(OC)cc1C[NH2+]CCCCCCC[NH+](C)C ZINC000271242475 456188600 /nfs/dbraw/zinc/18/86/00/456188600.db2.gz UVMXMIKDWYFHSK-UHFFFAOYSA-N 2 0 338.492 3.280 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000273182616 456205621 /nfs/dbraw/zinc/20/56/21/456205621.db2.gz GUJCBVLOETZXIX-HNNXBMFYSA-N 2 0 344.503 3.308 20 0 EGADRP CN(CCC[NH+]1CCCC1)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000281367920 456214452 /nfs/dbraw/zinc/21/44/52/456214452.db2.gz OIHYCXYFUXWLIQ-UHFFFAOYSA-N 2 0 348.878 3.350 20 0 EGADRP Cn1cncc1C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000237155624 456238820 /nfs/dbraw/zinc/23/88/20/456238820.db2.gz ODUSZRRJJQGUPE-UHFFFAOYSA-N 2 0 326.488 3.474 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)N3CCC[C@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723174 456255278 /nfs/dbraw/zinc/25/52/78/456255278.db2.gz UZIXZJDRJXWASY-AUUYWEPGSA-N 2 0 344.434 3.321 20 0 EGADRP Cc1cc(Br)c2c(c1)C[N@@H+](CCCn1ccnc1)CC2 ZINC000189229670 456260139 /nfs/dbraw/zinc/26/01/39/456260139.db2.gz HRPBNBYFLDBMLE-UHFFFAOYSA-N 2 0 334.261 3.402 20 0 EGADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000290233473 456272561 /nfs/dbraw/zinc/27/25/61/456272561.db2.gz RXRQDFIPSKNGOA-NLWGTHIKSA-N 2 0 326.484 3.297 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000290265976 456277344 /nfs/dbraw/zinc/27/73/44/456277344.db2.gz XYGXKWLAHOEXMI-FUHWJXTLSA-N 2 0 329.488 3.375 20 0 EGADRP CC[NH+](CC)CCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352818286 456334778 /nfs/dbraw/zinc/33/47/78/456334778.db2.gz UGSPZLGKLXFORO-NRFANRHFSA-N 2 0 329.532 3.316 20 0 EGADRP CO[C@H](CC[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000340365982 456416714 /nfs/dbraw/zinc/41/67/14/456416714.db2.gz NQYKIMLWWVOWII-HRCADAONSA-N 2 0 330.394 3.379 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000348021925 456439140 /nfs/dbraw/zinc/43/91/40/456439140.db2.gz QHTIJXCGSWDTAR-FXAWDEMLSA-N 2 0 345.531 3.156 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282203696 456441391 /nfs/dbraw/zinc/44/13/91/456441391.db2.gz GZIGIDLFYPXMIZ-INIZCTEOSA-N 2 0 329.488 3.418 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1(C)C ZINC000282222733 456447699 /nfs/dbraw/zinc/44/76/99/456447699.db2.gz IBYZCZLVJNEIHA-MOPGFXCFSA-N 2 0 329.532 3.184 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000282407016 456503571 /nfs/dbraw/zinc/50/35/71/456503571.db2.gz RZIKJUAHNMVGOW-IUPXNIOVSA-N 2 0 338.442 3.167 20 0 EGADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282423984 456508732 /nfs/dbraw/zinc/50/87/32/456508732.db2.gz SUNBHQYEBHHOAC-IBGZPJMESA-N 2 0 333.520 3.152 20 0 EGADRP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000348138622 456510807 /nfs/dbraw/zinc/51/08/07/456510807.db2.gz FZMZNWADNGYCRU-HNAYVOBHSA-N 2 0 327.472 3.334 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353204072 456556941 /nfs/dbraw/zinc/55/69/41/456556941.db2.gz LZJKURVXMMGFPT-LEWJYISDSA-N 2 0 343.515 3.019 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348236238 456557993 /nfs/dbraw/zinc/55/79/93/456557993.db2.gz BMMJVDQGBYTFME-FYZZASKESA-N 2 0 328.500 3.148 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276731556 456563665 /nfs/dbraw/zinc/56/36/65/456563665.db2.gz VTKMKDOGANRREP-UHFFFAOYSA-N 2 0 342.487 3.297 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000310056471 456578690 /nfs/dbraw/zinc/57/86/90/456578690.db2.gz LQIQPQBPDWOCHR-BFYDXBDKSA-N 2 0 339.524 3.094 20 0 EGADRP CC1(C)CC[C@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)O1 ZINC000310274860 456580820 /nfs/dbraw/zinc/58/08/20/456580820.db2.gz OGXAUJOJHJMBQD-VAMGGRTRSA-N 2 0 328.500 3.398 20 0 EGADRP CC(C)(CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C[NH+]1CCCC1 ZINC000276839527 456595384 /nfs/dbraw/zinc/59/53/84/456595384.db2.gz JCYIQWQWYDRHEW-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000337991570 456641449 /nfs/dbraw/zinc/64/14/49/456641449.db2.gz XKAOHKKTIPJPST-PBHICJAKSA-N 2 0 344.421 3.073 20 0 EGADRP CCn1ccnc1[C@H]1CCCCN1Cc1ncc(CN(C)C)s1 ZINC000348355141 456644472 /nfs/dbraw/zinc/64/44/72/456644472.db2.gz KSIHSZJUKWQBBI-OAHLLOKOSA-N 2 0 333.505 3.148 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000348376156 456655974 /nfs/dbraw/zinc/65/59/74/456655974.db2.gz JPEGODQGTFPDLT-IEBWSBKVSA-N 2 0 343.519 3.267 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000343559405 456705420 /nfs/dbraw/zinc/70/54/20/456705420.db2.gz DCCXOFZVRGGJBC-FXAWDEMLSA-N 2 0 330.472 3.373 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000353490402 456710288 /nfs/dbraw/zinc/71/02/88/456710288.db2.gz KZFYDCKXVGKSEQ-WSTZPKSXSA-N 2 0 332.536 3.002 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277285987 456760609 /nfs/dbraw/zinc/76/06/09/456760609.db2.gz SQRLDMRENMMRPP-GOEBONIOSA-N 2 0 335.517 3.152 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353621331 456808636 /nfs/dbraw/zinc/80/86/36/456808636.db2.gz LZCZSHLQGXLYEW-XYJFISCASA-N 2 0 340.471 3.134 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000292108770 456856648 /nfs/dbraw/zinc/85/66/48/456856648.db2.gz PEVFJXIDGONNMR-HOJAQTOUSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000292192578 456880887 /nfs/dbraw/zinc/88/08/87/456880887.db2.gz XPIIRKKCJLSOHQ-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339068701 456925744 /nfs/dbraw/zinc/92/57/44/456925744.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 2 0 327.516 3.113 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000362646660 457023817 /nfs/dbraw/zinc/02/38/17/457023817.db2.gz QAQVRQVYNZEMSA-AZUAARDMSA-N 2 0 345.531 3.164 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000354097926 457060786 /nfs/dbraw/zinc/06/07/86/457060786.db2.gz SZUXFHDGQJBMKZ-IBGZPJMESA-N 2 0 327.472 3.168 20 0 EGADRP CC(C)[C@H](C[NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000339361429 457067005 /nfs/dbraw/zinc/06/70/05/457067005.db2.gz UBBCDJHDCDYCBN-KRWDZBQOSA-N 2 0 328.460 3.421 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356594335 457073354 /nfs/dbraw/zinc/07/33/54/457073354.db2.gz IBRMIJMFZMKFPH-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129448 457083207 /nfs/dbraw/zinc/08/32/07/457083207.db2.gz CYGXQMNQAWUUGF-MDZRGWNJSA-N 2 0 325.456 3.348 20 0 EGADRP COc1ccc2nc(CN3CC[C@]4(C3)CCC[N@H+](C)C4)sc2c1 ZINC000339437505 457117737 /nfs/dbraw/zinc/11/77/37/457117737.db2.gz KVTLBCLWFQXIMC-GOSISDBHSA-N 2 0 331.485 3.223 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CNc1ccnc(C(C)C)n1 ZINC000346738952 457140958 /nfs/dbraw/zinc/14/09/58/457140958.db2.gz DJTPNCABUIMRKO-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000356764467 457156677 /nfs/dbraw/zinc/15/66/77/457156677.db2.gz CSZRUPRABDZASS-JTQLQIEISA-N 2 0 332.311 3.288 20 0 EGADRP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000359970148 457178549 /nfs/dbraw/zinc/17/85/49/457178549.db2.gz KUSYZRMGLRWTLL-WMLDXEAASA-N 2 0 344.421 3.464 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000363020859 457199877 /nfs/dbraw/zinc/19/98/77/457199877.db2.gz WNZAGVNAZBOSRT-WOJBJXKFSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347042760 457200273 /nfs/dbraw/zinc/20/02/73/457200273.db2.gz MBUOKMSSJUTCHC-SJLPKXTDSA-N 2 0 325.456 3.220 20 0 EGADRP OCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000356901833 457209266 /nfs/dbraw/zinc/20/92/66/457209266.db2.gz PYJITEAZPIEGKJ-SSXNTNPLSA-N 2 0 328.500 3.038 20 0 EGADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(Br)cc1 ZINC000360047406 457224243 /nfs/dbraw/zinc/22/42/43/457224243.db2.gz VPXFKDLXFYFAHU-MRXNPFEDSA-N 2 0 343.309 3.458 20 0 EGADRP CC1CCN(C(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000357011174 457274230 /nfs/dbraw/zinc/27/42/30/457274230.db2.gz JJOBNKUVSYXQEO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000347186583 457278388 /nfs/dbraw/zinc/27/83/88/457278388.db2.gz BXYZVZOELYBGFS-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347205575 457287894 /nfs/dbraw/zinc/28/78/94/457287894.db2.gz LUGHMOQFZVOYDR-BEFAXECRSA-N 2 0 326.488 3.107 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357051391 457299097 /nfs/dbraw/zinc/29/90/97/457299097.db2.gz NBQFHWXVSHTLSL-SFHVURJKSA-N 2 0 332.488 3.306 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2CN(CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@H]12 ZINC000351489392 457301103 /nfs/dbraw/zinc/30/11/03/457301103.db2.gz HAFQDKMVHJOVJB-FFZOFVMBSA-N 2 0 347.547 3.150 20 0 EGADRP CC(C)[C@@H]1C[N@H+](CC[C@@H](C)[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339835403 457301157 /nfs/dbraw/zinc/30/11/57/457301157.db2.gz XHKZPHGQFZEBGL-HSALFYBXSA-N 2 0 340.552 3.259 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354658323 457302042 /nfs/dbraw/zinc/30/20/42/457302042.db2.gz QRFHXNRTXNENFN-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357109124 457327499 /nfs/dbraw/zinc/32/74/99/457327499.db2.gz HGAUCJIBJSXYPO-KSZLIROESA-N 2 0 345.531 3.406 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000355411509 457371162 /nfs/dbraw/zinc/37/11/62/457371162.db2.gz MZBUGYFUZJOCSU-ZIFCJYIRSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817166 457413712 /nfs/dbraw/zinc/41/37/12/457413712.db2.gz YNDUQYWQIALTBG-JKSUJKDBSA-N 2 0 328.460 3.380 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369882874 457443809 /nfs/dbraw/zinc/44/38/09/457443809.db2.gz NPGNVQZMKBELAE-WBVHZDCISA-N 2 0 333.545 3.228 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540066 457451204 /nfs/dbraw/zinc/45/12/04/457451204.db2.gz GTDVVOYAFABTJT-NRFANRHFSA-N 2 0 329.532 3.220 20 0 EGADRP Cc1ccsc1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360943510 457451860 /nfs/dbraw/zinc/45/18/60/457451860.db2.gz UZBQSIWTKMIOGB-QGZVFWFLSA-N 2 0 344.528 3.314 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000347472546 457452270 /nfs/dbraw/zinc/45/22/70/457452270.db2.gz ZZPGZIYYUNXGHQ-GGPKGHCWSA-N 2 0 338.536 3.157 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2)N1CC[NH+](C)CC1 ZINC000392915725 457462551 /nfs/dbraw/zinc/46/25/51/457462551.db2.gz VGJZYSNTQPTDRZ-PGRDOPGGSA-N 2 0 343.559 3.488 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000360965237 457472595 /nfs/dbraw/zinc/47/25/95/457472595.db2.gz DMZULKWAGATMGE-FQEVSTJZSA-N 2 0 343.515 3.021 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+](CC)CC ZINC000342724453 457480827 /nfs/dbraw/zinc/48/08/27/457480827.db2.gz CKLDIJUICZURCH-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC000356144200 457484055 /nfs/dbraw/zinc/48/40/55/457484055.db2.gz YMTPSWKREBSTCT-AWEZNQCLSA-N 2 0 328.547 3.403 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000397918073 457492012 /nfs/dbraw/zinc/49/20/12/457492012.db2.gz JJNSHYOGJWQSGY-MJGOQNOKSA-N 2 0 347.503 3.155 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000342753061 457499520 /nfs/dbraw/zinc/49/95/20/457499520.db2.gz OXZHPXZJDUUMOY-YLJYHZDGSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342756209 457502833 /nfs/dbraw/zinc/50/28/33/457502833.db2.gz SSPVPOQQMHZRPQ-IFXJQAMLSA-N 2 0 336.907 3.352 20 0 EGADRP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401071424 457521593 /nfs/dbraw/zinc/52/15/93/457521593.db2.gz AYGRSGPYPRONRE-COPLHBTASA-N 2 0 327.241 3.066 20 0 EGADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000374255483 457547026 /nfs/dbraw/zinc/54/70/26/457547026.db2.gz RDCUUFADIQBZMU-PZJWPPBQSA-N 2 0 329.532 3.070 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC1CCCC1 ZINC000361106635 457584673 /nfs/dbraw/zinc/58/46/73/457584673.db2.gz FVUCTQDELJYVGJ-MAUKXSAKSA-N 2 0 332.488 3.446 20 0 EGADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1CCCCC1 ZINC000370216150 457587674 /nfs/dbraw/zinc/58/76/74/457587674.db2.gz OMYKLHWGFZKLCH-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356423261 457618357 /nfs/dbraw/zinc/61/83/57/457618357.db2.gz KTOJTRAYEWXPHR-PXNSSMCTSA-N 2 0 343.515 3.085 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370634662 457687921 /nfs/dbraw/zinc/68/79/21/457687921.db2.gz MHWGUXOYJAFLJQ-IEBWSBKVSA-N 2 0 345.531 3.295 20 0 EGADRP COCC1(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCC1 ZINC000361324080 457693174 /nfs/dbraw/zinc/69/31/74/457693174.db2.gz LKSUMDMFPMJGBZ-QZTJIDSGSA-N 2 0 338.536 3.014 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370712379 457704612 /nfs/dbraw/zinc/70/46/12/457704612.db2.gz UYMSEHXIRDKXNZ-OXJNMPFZSA-N 2 0 341.499 3.199 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000370842141 457727765 /nfs/dbraw/zinc/72/77/65/457727765.db2.gz DTWPAUDJQJFBAX-LAUBAEHRSA-N 2 0 343.515 3.067 20 0 EGADRP CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912515 457732290 /nfs/dbraw/zinc/73/22/90/457732290.db2.gz XSZACTNBURYAHA-MAUKXSAKSA-N 2 0 349.906 3.109 20 0 EGADRP CCC[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000374990936 457746938 /nfs/dbraw/zinc/74/69/38/457746938.db2.gz OVMLMKUCAHOTSY-NHCUHLMSSA-N 2 0 329.532 3.282 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CC=C(C)CC2)cc1 ZINC000358058844 457759514 /nfs/dbraw/zinc/75/95/14/457759514.db2.gz RDGMRZHLGKNNSX-UHFFFAOYSA-N 2 0 343.515 3.300 20 0 EGADRP CCC1(C)CCC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000358064268 457763161 /nfs/dbraw/zinc/76/31/61/457763161.db2.gz PKPIJAVTZXFHAP-UHFFFAOYSA-N 2 0 345.531 3.427 20 0 EGADRP CCCCN(CC)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443607991 457786944 /nfs/dbraw/zinc/78/69/44/457786944.db2.gz VGDZUNAAIUMYAI-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411193818 457826776 /nfs/dbraw/zinc/82/67/76/457826776.db2.gz FQHYBLAGUJUFNZ-NRFANRHFSA-N 2 0 343.515 3.021 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358177303 457837218 /nfs/dbraw/zinc/83/72/18/457837218.db2.gz PAXQSAMHDKZCGG-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000358180972 457840985 /nfs/dbraw/zinc/84/09/85/457840985.db2.gz SLFNNOZZKBWLOJ-YWZLYKJASA-N 2 0 346.446 3.150 20 0 EGADRP COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411314933 457855653 /nfs/dbraw/zinc/85/56/53/457855653.db2.gz GFFNIWYCSNMQGQ-HXUWFJFHSA-N 2 0 330.472 3.058 20 0 EGADRP COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411325601 457857820 /nfs/dbraw/zinc/85/78/20/457857820.db2.gz ZURFBSAOCLKYOM-FQEVSTJZSA-N 2 0 330.472 3.058 20 0 EGADRP CC(C)[N@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411381331 457869366 /nfs/dbraw/zinc/86/93/66/457869366.db2.gz BZICGEPPRRUZFJ-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3n[nH]cc3C2)CC1 ZINC000366705031 457890121 /nfs/dbraw/zinc/89/01/21/457890121.db2.gz AEYHBQVAGSRCNC-GPJFCIFZSA-N 2 0 338.499 3.300 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000411626365 457931638 /nfs/dbraw/zinc/93/16/38/457931638.db2.gz ZQVHMIQQJXPYIS-FXAWDEMLSA-N 2 0 344.499 3.304 20 0 EGADRP OCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCSC1 ZINC000411662165 457943842 /nfs/dbraw/zinc/94/38/42/457943842.db2.gz FJCLDZFWHCFDSD-FQEVSTJZSA-N 2 0 348.556 3.362 20 0 EGADRP C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000361973726 457987241 /nfs/dbraw/zinc/98/72/41/457987241.db2.gz YKFTYBVPYUUIAN-IAGOWNOFSA-N 2 0 327.472 3.304 20 0 EGADRP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)ccc1C[NH+](C)C ZINC000458297484 458005567 /nfs/dbraw/zinc/00/55/67/458005567.db2.gz YXZDFDYKDORHPQ-LJQANCHMSA-N 2 0 329.488 3.402 20 0 EGADRP COC(=O)c1coc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000375663250 458010049 /nfs/dbraw/zinc/01/00/49/458010049.db2.gz JFAQIVIRZGRFLD-NVXWUHKLSA-N 2 0 342.439 3.239 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358514866 458051665 /nfs/dbraw/zinc/05/16/65/458051665.db2.gz YBIAXVMMXMMCAL-HNNXBMFYSA-N 2 0 326.444 3.182 20 0 EGADRP Cc1cnc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000428221684 458100642 /nfs/dbraw/zinc/10/06/42/458100642.db2.gz LFLDJMGVAKFGCG-KURKYZTESA-N 2 0 346.519 3.057 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435370307 458122324 /nfs/dbraw/zinc/12/23/24/458122324.db2.gz ICFQFXKJZXLZML-SJLPKXTDSA-N 2 0 340.515 3.398 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435370303 458122438 /nfs/dbraw/zinc/12/24/38/458122438.db2.gz ICFQFXKJZXLZML-AEFFLSMTSA-N 2 0 340.515 3.398 20 0 EGADRP Cc1cn2c(n1)[C@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000358654354 458131168 /nfs/dbraw/zinc/13/11/68/458131168.db2.gz TYIVDDTZDARIFG-KRWDZBQOSA-N 3 0 330.520 3.456 20 0 EGADRP COCc1cccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435388954 458133549 /nfs/dbraw/zinc/13/35/49/458133549.db2.gz IJYCSOGZCDCADJ-OAQYLSRUSA-N 2 0 339.483 3.372 20 0 EGADRP CCOc1cc(CN(C)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435389459 458134532 /nfs/dbraw/zinc/13/45/32/458134532.db2.gz MKRNBEGKVMUMHS-UHFFFAOYSA-N 2 0 346.393 3.210 20 0 EGADRP CCN(Cc1cccc(Br)c1OC)[C@H]1CCC[NH2+]CC1 ZINC000435391420 458134756 /nfs/dbraw/zinc/13/47/56/458134756.db2.gz SJFZZCPNUMLNIG-AWEZNQCLSA-N 2 0 341.293 3.422 20 0 EGADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435398247 458137383 /nfs/dbraw/zinc/13/73/83/458137383.db2.gz NOZGUYSTOOBKMI-KRWDZBQOSA-N 2 0 347.466 3.105 20 0 EGADRP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435438616 458147560 /nfs/dbraw/zinc/14/75/60/458147560.db2.gz QREYGJNYQNDYLY-IBGZPJMESA-N 2 0 325.456 3.235 20 0 EGADRP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435439987 458148058 /nfs/dbraw/zinc/14/80/58/458148058.db2.gz YIPFNPHYSGUVFW-IBGZPJMESA-N 2 0 325.456 3.235 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+](C)[C@@H]3CCC[NH2+]CC3)n2)cc1F ZINC000435623120 458173856 /nfs/dbraw/zinc/17/38/56/458173856.db2.gz UBNGSZUDDNPTHI-MRXNPFEDSA-N 2 0 346.450 3.191 20 0 EGADRP CCN(CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623405 458174597 /nfs/dbraw/zinc/17/45/97/458174597.db2.gz CMPPGVBNSBMCAG-AZUAARDMSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000372095063 458192540 /nfs/dbraw/zinc/19/25/40/458192540.db2.gz MSPLZCKDMONHLK-ZLGUVYLKSA-N 2 0 346.515 3.483 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2s1 ZINC000446816277 458231158 /nfs/dbraw/zinc/23/11/58/458231158.db2.gz BCJJCOGKYKTLLR-ZBFHGGJFSA-N 2 0 345.512 3.139 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376204040 458232598 /nfs/dbraw/zinc/23/25/98/458232598.db2.gz VQMBNMSQQAJINN-WIYYLYMNSA-N 2 0 343.559 3.442 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000369512972 458244452 /nfs/dbraw/zinc/24/44/52/458244452.db2.gz WHNPDOCECPQSLS-UHFFFAOYSA-N 2 0 337.511 3.299 20 0 EGADRP CC1(C)Cc2cccc(C[NH2+]Cc3ccc(-n4ccnc4)nc3)c2O1 ZINC000369539850 458256904 /nfs/dbraw/zinc/25/69/04/458256904.db2.gz KNLBEYAGOSCRIG-UHFFFAOYSA-N 2 0 334.423 3.271 20 0 EGADRP CCn1ccnc1[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459065491 458257938 /nfs/dbraw/zinc/25/79/38/458257938.db2.gz UBPQXGJWSDSZHQ-IXDOHACOSA-N 2 0 349.523 3.164 20 0 EGADRP CC1(C)C[NH+](CCCCC[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000369583386 458276445 /nfs/dbraw/zinc/27/64/45/458276445.db2.gz ICYAUEFBCWUGQU-UHFFFAOYSA-N 2 0 326.525 3.159 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC000447561280 458311510 /nfs/dbraw/zinc/31/15/10/458311510.db2.gz HHUSSULXCXMOKE-NHCUHLMSSA-N 2 0 329.532 3.488 20 0 EGADRP C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447557339 458311609 /nfs/dbraw/zinc/31/16/09/458311609.db2.gz JMCOCGPJMHDIKF-SFHVURJKSA-N 2 0 347.547 3.400 20 0 EGADRP COc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C ZINC000436484654 458312130 /nfs/dbraw/zinc/31/21/30/458312130.db2.gz IVAMMVGNWITOOH-HDICACEKSA-N 2 0 346.515 3.325 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)nnn1-c1ccccc1 ZINC000447571674 458313874 /nfs/dbraw/zinc/31/38/74/458313874.db2.gz KYDOBIORQWSAIO-HNNXBMFYSA-N 2 0 339.487 3.101 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000372697901 458321113 /nfs/dbraw/zinc/32/11/13/458321113.db2.gz ZESHALFDNXNHKS-UHFFFAOYSA-N 2 0 332.488 3.208 20 0 EGADRP O[C@@H]1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)N(Cc2ccccc2)C1 ZINC000459451679 458375747 /nfs/dbraw/zinc/37/57/47/458375747.db2.gz LNPGFKXGKSUXQD-VQTJNVASSA-N 2 0 344.886 3.108 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000448033647 458383147 /nfs/dbraw/zinc/38/31/47/458383147.db2.gz YTIVWAWPAZKTMX-YLJYHZDGSA-N 2 0 347.547 3.398 20 0 EGADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCCc2ccncc2)CC1 ZINC000459491081 458389585 /nfs/dbraw/zinc/38/95/85/458389585.db2.gz ZDKSUMUGTZLPEC-UHFFFAOYSA-N 2 0 332.451 3.385 20 0 EGADRP CCOc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cc(Cl)c1O ZINC000459580229 458418448 /nfs/dbraw/zinc/41/84/48/458418448.db2.gz AKIQDOJNJRLZTK-UHFFFAOYSA-N 2 0 326.868 3.408 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(N2CCCC2=O)c1 ZINC000423436243 458432478 /nfs/dbraw/zinc/43/24/78/458432478.db2.gz ZSAQIEFEESURLS-BRWVUGGUSA-N 2 0 329.488 3.229 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000423440443 458433767 /nfs/dbraw/zinc/43/37/67/458433767.db2.gz XGWVAGFUMZWWJB-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1I ZINC000423453822 458435380 /nfs/dbraw/zinc/43/53/80/458435380.db2.gz KWYJSIYHYOJKKD-MNOVXSKESA-N 2 0 332.229 3.069 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423454246 458435619 /nfs/dbraw/zinc/43/56/19/458435619.db2.gz BXWMFLWTUWWSKC-OFQRWUPVSA-N 2 0 330.476 3.139 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423477965 458438149 /nfs/dbraw/zinc/43/81/49/458438149.db2.gz KSSDSIQBRSSPIB-NVXWUHKLSA-N 2 0 332.492 3.399 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCNCC1(F)F)c1nc(C(F)(F)F)cs1 ZINC000423485000 458440936 /nfs/dbraw/zinc/44/09/36/458440936.db2.gz SSSLYXSZFWSSPX-YUMQZZPRSA-N 2 0 329.338 3.057 20 0 EGADRP CC(C)[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423486709 458440992 /nfs/dbraw/zinc/44/09/92/458440992.db2.gz BXSFFBMCVASJPC-HOTGVXAUSA-N 2 0 330.394 3.371 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1)C1CC1 ZINC000430391281 458445280 /nfs/dbraw/zinc/44/52/80/458445280.db2.gz GGUKNHKSLCPSNG-IBGZPJMESA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000423511202 458447539 /nfs/dbraw/zinc/44/75/39/458447539.db2.gz KATLOXQFLGNULM-BBRMVZONSA-N 2 0 330.303 3.184 20 0 EGADRP CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000423515955 458449220 /nfs/dbraw/zinc/44/92/20/458449220.db2.gz XROGFRXOQHMYFQ-LRDDRELGSA-N 2 0 332.469 3.448 20 0 EGADRP CCOC[C@@H]1CCCC[NH+]1CC(C)C[N@H+]1CCCC[C@H]1COCC ZINC000459698438 458450265 /nfs/dbraw/zinc/45/02/65/458450265.db2.gz CBURQVVLMKEKQY-PMACEKPBSA-N 2 0 340.552 3.405 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423518454 458450339 /nfs/dbraw/zinc/45/03/39/458450339.db2.gz UXIZLGUWOCMXGG-GYSYKLTISA-N 2 0 329.257 3.236 20 0 EGADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423543290 458456330 /nfs/dbraw/zinc/45/63/30/458456330.db2.gz BUGIADSUPPVYAF-QZTJIDSGSA-N 2 0 329.532 3.394 20 0 EGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430547644 458459423 /nfs/dbraw/zinc/45/94/23/458459423.db2.gz AAQOBYYNUBIWNS-OAHLLOKOSA-N 2 0 336.867 3.238 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430557770 458460870 /nfs/dbraw/zinc/46/08/70/458460870.db2.gz XBQKGFLVZZEGKO-OLZOCXBDSA-N 2 0 332.366 3.023 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000459744991 458466354 /nfs/dbraw/zinc/46/63/54/458466354.db2.gz YIQDVOWUSQYGFJ-SFHVURJKSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000423737393 458478164 /nfs/dbraw/zinc/47/81/64/458478164.db2.gz AOJZCEHUTNYSIQ-LPHOPBHVSA-N 2 0 331.504 3.045 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000459793823 458480540 /nfs/dbraw/zinc/48/05/40/458480540.db2.gz TZDSYUYMAXNYNC-ZDUSSCGKSA-N 2 0 341.293 3.279 20 0 EGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423781838 458482672 /nfs/dbraw/zinc/48/26/72/458482672.db2.gz YBBLFTGUKIMJIW-CTXDPNEZSA-N 2 0 341.499 3.184 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000423832562 458494036 /nfs/dbraw/zinc/49/40/36/458494036.db2.gz ABGJPIVVAOUUAA-ZWKOTPCHSA-N 2 0 329.488 3.027 20 0 EGADRP Cn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(-c2ccccc2Cl)n1 ZINC000430930380 458507307 /nfs/dbraw/zinc/50/73/07/458507307.db2.gz ABWGDGGXXJCJOU-UHFFFAOYSA-N 2 0 344.890 3.316 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909739 458510881 /nfs/dbraw/zinc/51/08/81/458510881.db2.gz UJPVBLYBXJLBLU-ZJOUEHCJSA-N 2 0 343.515 3.017 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC000431024663 458518890 /nfs/dbraw/zinc/51/88/90/458518890.db2.gz VZTGGVWTKBHHHE-QGZVFWFLSA-N 2 0 329.488 3.014 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423953842 458520755 /nfs/dbraw/zinc/52/07/55/458520755.db2.gz JTPZVYBHVNSRNU-IBGZPJMESA-N 2 0 331.504 3.166 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1)C(C)C ZINC000423954381 458521291 /nfs/dbraw/zinc/52/12/91/458521291.db2.gz JZWGKAXBTLSXAV-IBGZPJMESA-N 2 0 331.504 3.164 20 0 EGADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000438092629 458530219 /nfs/dbraw/zinc/53/02/19/458530219.db2.gz AADDZCQVTVVNRO-LEWJYISDSA-N 2 0 328.500 3.401 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC([NH2+]CC2CC2)CC1)CC1CCCCC1 ZINC000424077036 458552161 /nfs/dbraw/zinc/55/21/61/458552161.db2.gz NBCYFHAIGDNGRQ-GOSISDBHSA-N 2 0 335.536 3.055 20 0 EGADRP CC[NH+]1CCC(CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424137948 458567269 /nfs/dbraw/zinc/56/72/69/458567269.db2.gz CPJSUSZGOZUTGY-LJQANCHMSA-N 2 0 337.552 3.303 20 0 EGADRP OC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC000438598759 458605602 /nfs/dbraw/zinc/60/56/02/458605602.db2.gz AXANKCFUYVXBMA-VQTJNVASSA-N 2 0 328.500 3.278 20 0 EGADRP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424295869 458608246 /nfs/dbraw/zinc/60/82/46/458608246.db2.gz RMYKPKMFIHRRTA-AWEZNQCLSA-N 2 0 325.456 3.123 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CCCc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000424301565 458609342 /nfs/dbraw/zinc/60/93/42/458609342.db2.gz XRIIZUHEDYWODC-MRXNPFEDSA-N 2 0 340.471 3.133 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F)CC[NH2+]CC2 ZINC000424368555 458626050 /nfs/dbraw/zinc/62/60/50/458626050.db2.gz ALFURHDYZAAWKV-ZDUSSCGKSA-N 2 0 346.425 3.319 20 0 EGADRP COc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1OC(F)F ZINC000424373491 458628325 /nfs/dbraw/zinc/62/83/25/458628325.db2.gz HDIDJPKEZOCFDR-CYBMUJFWSA-N 2 0 340.414 3.261 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790163 458652534 /nfs/dbraw/zinc/65/25/34/458652534.db2.gz QEUAUOOOACHWDT-UGKGYDQZSA-N 2 0 340.511 3.407 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@H]21 ZINC000462810503 458657097 /nfs/dbraw/zinc/65/70/97/458657097.db2.gz CVWPBIOHVFFTAM-OGWHTMIXSA-N 2 0 331.479 3.114 20 0 EGADRP CO[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000462816060 458657197 /nfs/dbraw/zinc/65/71/97/458657197.db2.gz FPKHRBAIICRYGI-MJUUVYJYSA-N 2 0 328.500 3.302 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494361429 458664335 /nfs/dbraw/zinc/66/43/35/458664335.db2.gz BXUOSGPWTDYEPR-HOTGVXAUSA-N 2 0 341.540 3.388 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCSc3ccc(C)c(C)c3)C2)CC1 ZINC000471162569 458680271 /nfs/dbraw/zinc/68/02/71/458680271.db2.gz QMSKMBRBFULZFU-LJQANCHMSA-N 2 0 347.572 3.107 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503378028 458704092 /nfs/dbraw/zinc/70/40/92/458704092.db2.gz MWZTZNBQIBLUEV-IBGZPJMESA-N 2 0 327.516 3.388 20 0 EGADRP CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000439484153 458716610 /nfs/dbraw/zinc/71/66/10/458716610.db2.gz NYUDFUJGAOZDNL-FXAWDEMLSA-N 2 0 336.520 3.306 20 0 EGADRP Fc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000530241312 458727984 /nfs/dbraw/zinc/72/79/84/458727984.db2.gz PYLYKGJTFNOOPW-OAHLLOKOSA-N 2 0 326.843 3.070 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)ccc1F ZINC000530321526 458746327 /nfs/dbraw/zinc/74/63/27/458746327.db2.gz BPTTYVVMXZNKEY-LJQANCHMSA-N 2 0 339.474 3.279 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCc1cncn1C ZINC000530355053 458753503 /nfs/dbraw/zinc/75/35/03/458753503.db2.gz ZQNIYCNZGJEJNL-LLVKDONJSA-N 2 0 340.240 3.085 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440122849 458784052 /nfs/dbraw/zinc/78/40/52/458784052.db2.gz YKZMBPZLZPVKOI-HNJRGHQBSA-N 2 0 347.547 3.257 20 0 EGADRP CC[NH+]1CCN(c2cccc(NC3CC[NH+](CC4CC4)CC3)c2)CC1 ZINC000530547737 458788363 /nfs/dbraw/zinc/78/83/63/458788363.db2.gz LYMNROFVZDKCNY-UHFFFAOYSA-N 2 0 342.531 3.115 20 0 EGADRP Cc1ccccc1[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000495077438 458795116 /nfs/dbraw/zinc/79/51/16/458795116.db2.gz FBXLSCVZARARJR-WIYYLYMNSA-N 2 0 329.532 3.452 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000432837824 458798320 /nfs/dbraw/zinc/79/83/20/458798320.db2.gz WOCVCPZFJVHXDZ-HDICACEKSA-N 2 0 338.536 3.014 20 0 EGADRP C[C@@H]([NH2+]CCCCn1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828539 458801377 /nfs/dbraw/zinc/80/13/77/458801377.db2.gz ZHIXZBSVHLNYBO-QUCCMNQESA-N 2 0 326.488 3.164 20 0 EGADRP COC(=O)CC1(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000440716333 458846367 /nfs/dbraw/zinc/84/63/67/458846367.db2.gz RYOAGRWJCPBQQO-UHFFFAOYSA-N 2 0 344.499 3.174 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474021061 458854874 /nfs/dbraw/zinc/85/48/74/458854874.db2.gz FZDYPOIHVCALFV-FQEVSTJZSA-N 2 0 345.531 3.035 20 0 EGADRP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000495464505 458862346 /nfs/dbraw/zinc/86/23/46/458862346.db2.gz WRDRBKLQKLRXJQ-OAHLLOKOSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000495527261 458876022 /nfs/dbraw/zinc/87/60/22/458876022.db2.gz ZMBNHDYRUSQEJW-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000475339883 458936801 /nfs/dbraw/zinc/93/68/01/458936801.db2.gz WHYHBVSXGXXVTI-GFOJFJKKSA-N 2 0 329.532 3.217 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000495756380 458943128 /nfs/dbraw/zinc/94/31/28/458943128.db2.gz ZQXWDZVKAMWFMC-OTBWCIGPSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000531899718 458996609 /nfs/dbraw/zinc/99/66/09/458996609.db2.gz MYJCWOVYRYMYIF-PKOBYXMFSA-N 2 0 337.552 3.076 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000519765478 459002507 /nfs/dbraw/zinc/00/25/07/459002507.db2.gz PICGOROWWNQUHZ-QWFMPGPPSA-N 2 0 332.879 3.270 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408171 459028320 /nfs/dbraw/zinc/02/83/20/459028320.db2.gz KAYJFHDHCXVBLM-QGZVFWFLSA-N 2 0 326.431 3.022 20 0 EGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000442758486 459031642 /nfs/dbraw/zinc/03/16/42/459031642.db2.gz IUFMZCYUSKEFRO-DLBZAZTESA-N 2 0 337.467 3.351 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCOCC4CCC4)[C@H]3C2)cc1 ZINC000577434104 459031982 /nfs/dbraw/zinc/03/19/82/459031982.db2.gz GUFUKRNZCJQSQS-ACRUOGEOSA-N 2 0 328.500 3.303 20 0 EGADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000442810585 459040463 /nfs/dbraw/zinc/04/04/63/459040463.db2.gz MRIGONYSZPOZEI-ZPAWYTMASA-N 2 0 328.500 3.444 20 0 EGADRP Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000532248234 459054029 /nfs/dbraw/zinc/05/40/29/459054029.db2.gz MFDHKBQJRCCBNE-UWJYYQICSA-N 2 0 342.483 3.320 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442890519 459055742 /nfs/dbraw/zinc/05/57/42/459055742.db2.gz OMFIZUXASOVQJO-HNAYVOBHSA-N 2 0 333.495 3.065 20 0 EGADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000567169605 459058133 /nfs/dbraw/zinc/05/81/33/459058133.db2.gz WTBDIHCGANGDCL-QAPCUYQASA-N 2 0 329.488 3.388 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000442923650 459061265 /nfs/dbraw/zinc/06/12/65/459061265.db2.gz QXKZPNJETVNLIH-KRWDZBQOSA-N 2 0 325.456 3.221 20 0 EGADRP CCN(CC(=O)NC1CCCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999473 459064284 /nfs/dbraw/zinc/06/42/84/459064284.db2.gz KKGLDWXBEIUJSG-UHFFFAOYSA-N 2 0 345.531 3.409 20 0 EGADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000520569213 459073670 /nfs/dbraw/zinc/07/36/70/459073670.db2.gz ZAMNQELPHYYWPW-FQEVSTJZSA-N 2 0 346.515 3.121 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532447148 459090716 /nfs/dbraw/zinc/09/07/16/459090716.db2.gz ZYPHZCQYRSSDMB-FHERZECASA-N 2 0 336.442 3.467 20 0 EGADRP CC[C@H](c1ccccc1OC)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000558181469 459137641 /nfs/dbraw/zinc/13/76/41/459137641.db2.gz JJMWPRCTXQFNII-HXUWFJFHSA-N 2 0 347.547 3.494 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000567678538 459144217 /nfs/dbraw/zinc/14/42/17/459144217.db2.gz VJYJJNATKOXEMJ-QFBILLFUSA-N 2 0 338.923 3.345 20 0 EGADRP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000479559611 459148957 /nfs/dbraw/zinc/14/89/57/459148957.db2.gz VUFWPZDBFOUZBX-KUHUBIRLSA-N 2 0 334.891 3.418 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479777230 459166105 /nfs/dbraw/zinc/16/61/05/459166105.db2.gz OOTRBWZOWRGAGA-ZVDOUQERSA-N 2 0 349.478 3.134 20 0 EGADRP c1cc([C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4ccncc4)C3)C2)ccn1 ZINC000578245813 459170125 /nfs/dbraw/zinc/17/01/25/459170125.db2.gz ZFBFXTZHCNLYHQ-SFTDATJTSA-N 2 0 336.483 3.146 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000590787006 459219267 /nfs/dbraw/zinc/21/92/67/459219267.db2.gz QKVBSBXSMDMURR-QGZVFWFLSA-N 2 0 343.515 3.016 20 0 EGADRP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1ccnc1 ZINC000578538037 459219901 /nfs/dbraw/zinc/21/99/01/459219901.db2.gz NMHPFWCPCRNRCH-LMMKCTJWSA-N 2 0 340.471 3.004 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000590819022 459232227 /nfs/dbraw/zinc/23/22/27/459232227.db2.gz TYEYQJSEEWNDOV-KSZLIROESA-N 2 0 337.552 3.217 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C[C@H]2CCCC(C)(C)C2)cc1 ZINC000533565349 459254374 /nfs/dbraw/zinc/25/43/74/459254374.db2.gz NAWZXSIYALDPTO-SFHVURJKSA-N 2 0 345.531 3.284 20 0 EGADRP Cc1ncc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000568269773 459261121 /nfs/dbraw/zinc/26/11/21/459261121.db2.gz XHTKQISHTXRMHT-APWZRJJASA-N 2 0 326.488 3.119 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496639574 459269049 /nfs/dbraw/zinc/26/90/49/459269049.db2.gz KDOSCYGPZOISKC-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000581938897 459279039 /nfs/dbraw/zinc/27/90/39/459279039.db2.gz ZYZLJSZBNLCVNB-HDICACEKSA-N 2 0 331.504 3.363 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCC(C)CC1 ZINC000481975708 459283245 /nfs/dbraw/zinc/28/32/45/459283245.db2.gz WZKCWAKHWNBCHI-RTBURBONSA-N 2 0 347.547 3.398 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496677887 459283854 /nfs/dbraw/zinc/28/38/54/459283854.db2.gz NPTPNVXOEHTHIT-ZACQAIPSSA-N 2 0 341.540 3.390 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000582026473 459293442 /nfs/dbraw/zinc/29/34/42/459293442.db2.gz JDQVBQGSGGVJHC-UZLBHIALSA-N 2 0 340.515 3.161 20 0 EGADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482237562 459298699 /nfs/dbraw/zinc/29/86/99/459298699.db2.gz FIWOMAWVHMUJKS-PMACEKPBSA-N 2 0 345.531 3.282 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)N2CCCC2)c1 ZINC000560124931 459303854 /nfs/dbraw/zinc/30/38/54/459303854.db2.gz AGSWXEPDOCDHQI-WQDJSCAQSA-N 2 0 332.488 3.378 20 0 EGADRP CCCOc1ccc(OCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000524609644 459375319 /nfs/dbraw/zinc/37/53/19/459375319.db2.gz IKPAZLJHGROABL-GOSISDBHSA-N 2 0 332.488 3.272 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000483817233 459395042 /nfs/dbraw/zinc/39/50/42/459395042.db2.gz KGWBGGLSWJHZBS-WOSRLPQWSA-N 2 0 341.293 3.146 20 0 EGADRP CCCCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000483956273 459399062 /nfs/dbraw/zinc/39/90/62/459399062.db2.gz LTNMWOFZFTZUPU-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000591569762 459402776 /nfs/dbraw/zinc/40/27/76/459402776.db2.gz CYORSEHHGFYCMW-QGZVFWFLSA-N 2 0 346.515 3.265 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484139776 459407532 /nfs/dbraw/zinc/40/75/32/459407532.db2.gz FXWMPLCUJXFKOS-XJKSGUPXSA-N 2 0 337.305 3.411 20 0 EGADRP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000561129733 459422488 /nfs/dbraw/zinc/42/24/88/459422488.db2.gz AOTAPVKMKPOQEH-PGRDOPGGSA-N 2 0 338.495 3.373 20 0 EGADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000561479001 459456991 /nfs/dbraw/zinc/45/69/91/459456991.db2.gz CEPDBZNKOLRRKI-LGGPRVQUSA-N 2 0 343.559 3.432 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000497153554 459462999 /nfs/dbraw/zinc/46/29/99/459462999.db2.gz WZLSENGIQMKQGK-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078374 459478597 /nfs/dbraw/zinc/47/85/97/459478597.db2.gz YPQMCMGWXOKKKI-MJGOQNOKSA-N 2 0 338.499 3.447 20 0 EGADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1F ZINC000583088893 459481672 /nfs/dbraw/zinc/48/16/72/459481672.db2.gz AQVAWWDEPNVTLG-UXHICEINSA-N 2 0 344.405 3.230 20 0 EGADRP O=C(Nc1cnc2n1CCCC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000569676271 459491664 /nfs/dbraw/zinc/49/16/64/459491664.db2.gz ZWKHARWUSDIKJK-KRWDZBQOSA-N 2 0 338.455 3.070 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000498011437 459565390 /nfs/dbraw/zinc/56/53/90/459565390.db2.gz OTUCQYSCSRTLTN-OTWHNJEPSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000583740304 459588828 /nfs/dbraw/zinc/58/88/28/459588828.db2.gz FALLACZXOYFNKH-IBGZPJMESA-N 2 0 346.496 3.003 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1)CC1CC1 ZINC000499603228 459641681 /nfs/dbraw/zinc/64/16/81/459641681.db2.gz QMCIDTAPPWACJR-MRXNPFEDSA-N 2 0 336.442 3.134 20 0 EGADRP C[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)CC1CC[NH+](C)CC1 ZINC000500138394 459667572 /nfs/dbraw/zinc/66/75/72/459667572.db2.gz KZFKBANZJJYHME-UHFFFAOYSA-N 2 0 332.488 3.416 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccccc1Br ZINC000543596310 459673694 /nfs/dbraw/zinc/67/36/94/459673694.db2.gz CJTVCJKKRXCUBH-CQSZACIVSA-N 2 0 343.309 3.458 20 0 EGADRP C[C@H](Cc1ccsc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000544009981 459719018 /nfs/dbraw/zinc/71/90/18/459719018.db2.gz QXJWNYNWPYKBIF-FGTMMUONSA-N 2 0 335.561 3.170 20 0 EGADRP Cc1ccccc1-c1cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)o1 ZINC000563214950 459740402 /nfs/dbraw/zinc/74/04/02/459740402.db2.gz LOKWRSSNFNTUMB-KRWDZBQOSA-N 2 0 325.456 3.472 20 0 EGADRP CC(C)c1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000527860842 459761033 /nfs/dbraw/zinc/76/10/33/459761033.db2.gz YOUNVDWARHQPGI-QFBILLFUSA-N 2 0 331.504 3.048 20 0 EGADRP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000527868480 459762929 /nfs/dbraw/zinc/76/29/29/459762929.db2.gz UQKQVRWDDIAGGY-UXHICEINSA-N 2 0 330.516 3.488 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000574304371 459804546 /nfs/dbraw/zinc/80/45/46/459804546.db2.gz QYENUMFSEOKLJH-SFTDATJTSA-N 2 0 327.516 3.367 20 0 EGADRP CC(C)[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000574344268 459808144 /nfs/dbraw/zinc/80/81/44/459808144.db2.gz CTXIPTGXNAQVNQ-HXUWFJFHSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000566115146 459808185 /nfs/dbraw/zinc/80/81/85/459808185.db2.gz BMTRQWVBUBHVBJ-FXAWDEMLSA-N 2 0 342.483 3.023 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000621642088 459994236 /nfs/dbraw/zinc/99/42/36/459994236.db2.gz DDBONXZAGCTDNG-AZUAARDMSA-N 2 0 343.515 3.110 20 0 EGADRP Cc1nccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000621719768 460026915 /nfs/dbraw/zinc/02/69/15/460026915.db2.gz WCOROJMECXNLGP-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[NH+](C)CC1 ZINC000589345397 460076484 /nfs/dbraw/zinc/07/64/84/460076484.db2.gz FPOZZBLVZNGVFG-MRXNPFEDSA-N 2 0 326.456 3.369 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000576254717 460102547 /nfs/dbraw/zinc/10/25/47/460102547.db2.gz VLOKDCPBYPMRRJ-WIYYLYMNSA-N 3 0 329.532 3.361 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc2c1 ZINC000576488289 460153361 /nfs/dbraw/zinc/15/33/61/460153361.db2.gz BTIXNWDPUGDMBS-ICSRJNTNSA-N 2 0 344.455 3.160 20 0 EGADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000603321514 460284442 /nfs/dbraw/zinc/28/44/42/460284442.db2.gz KLUOBINGFLZPNS-QGZVFWFLSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000631569129 460448563 /nfs/dbraw/zinc/44/85/63/460448563.db2.gz HKLNHMLSJCAKHZ-UFYCRDLUSA-N 2 0 344.499 3.064 20 0 EGADRP C[NH+](C)C[C@@H](N[C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000631660665 460494506 /nfs/dbraw/zinc/49/45/06/460494506.db2.gz TYVFMYDDDOLAKJ-HUUCEWRRSA-N 2 0 338.377 3.239 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000634733319 460497261 /nfs/dbraw/zinc/49/72/61/460497261.db2.gz CNPQXYOIDWZJHT-SFHVURJKSA-N 2 0 326.488 3.263 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631668601 460501909 /nfs/dbraw/zinc/50/19/09/460501909.db2.gz ZTADPIHJQBKFMN-JTDSTZFVSA-N 2 0 326.488 3.147 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)cc1 ZINC000606916834 460760982 /nfs/dbraw/zinc/76/09/82/460760982.db2.gz LBYHRTUVOUJDOY-FQEVSTJZSA-N 2 0 334.504 3.048 20 0 EGADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629535028 460799694 /nfs/dbraw/zinc/79/96/94/460799694.db2.gz BVYZRYOOKOHTPB-WFXMLNOXSA-N 2 0 345.531 3.486 20 0 EGADRP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(c2ccccc2)CC1 ZINC000629557828 460807343 /nfs/dbraw/zinc/80/73/43/460807343.db2.gz YSHIWCBLEDNEEC-YZDRJCRTSA-N 2 0 328.500 3.292 20 0 EGADRP O[C@H](C[NH2+]CC1(Sc2ccccc2)CCCC1)C[NH+]1CCCC1 ZINC000629562843 460811240 /nfs/dbraw/zinc/81/12/40/460811240.db2.gz NXJNVMCFCGFFJJ-QGZVFWFLSA-N 2 0 334.529 3.138 20 0 EGADRP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000629581678 460814607 /nfs/dbraw/zinc/81/46/07/460814607.db2.gz DLLQFVDIRZPNHF-IBGZPJMESA-N 2 0 331.504 3.244 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000635563555 460832853 /nfs/dbraw/zinc/83/28/53/460832853.db2.gz YTQWFGJOSLDJAV-MSOLQXFVSA-N 2 0 343.515 3.108 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc(OC)c1OC ZINC000624119700 460868129 /nfs/dbraw/zinc/86/81/29/460868129.db2.gz HJAGUZXOBJVVOO-LSDHHAIUSA-N 2 0 336.476 3.095 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120995 460871120 /nfs/dbraw/zinc/87/11/20/460871120.db2.gz LHHQEFQMJZTPJH-IAGOWNOFSA-N 2 0 331.504 3.288 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000632948471 460901138 /nfs/dbraw/zinc/90/11/38/460901138.db2.gz IKFUEOAOLZPZFT-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000624259522 460934765 /nfs/dbraw/zinc/93/47/65/460934765.db2.gz OIRHWRZVPKBSLO-HSALFYBXSA-N 2 0 337.467 3.178 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCC1)c1ccccc1 ZINC000629958444 460976112 /nfs/dbraw/zinc/97/61/12/460976112.db2.gz AYJMNXZOBKNFTA-QGZVFWFLSA-N 2 0 343.515 3.251 20 0 EGADRP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000630073130 461014014 /nfs/dbraw/zinc/01/40/14/461014014.db2.gz RIAOFOMWUGNLMI-LJQANCHMSA-N 2 0 327.516 3.463 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183144 461035197 /nfs/dbraw/zinc/03/51/97/461035197.db2.gz RVWVCTPRTXVWNY-HIFRSBDPSA-N 2 0 325.447 3.335 20 0 EGADRP Cc1ncc(C[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)n1C ZINC000668113639 461111864 /nfs/dbraw/zinc/11/18/64/461111864.db2.gz WPRQQKPLGKUUFV-UHFFFAOYSA-N 2 0 332.879 3.403 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000652350971 461144108 /nfs/dbraw/zinc/14/41/08/461144108.db2.gz BREJOUPIKXFPOG-UWJYYQICSA-N 2 0 337.467 3.229 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCc2nsc3ccccc32)C1 ZINC000662282926 461164643 /nfs/dbraw/zinc/16/46/43/461164643.db2.gz DNECLNWCORAWDB-ZTFGCOKTSA-N 2 0 345.512 3.200 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000662286616 461166384 /nfs/dbraw/zinc/16/63/84/461166384.db2.gz SAAIDTIJBVLTBK-QRTARXTBSA-N 2 0 338.879 3.067 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293006 461170743 /nfs/dbraw/zinc/17/07/43/461170743.db2.gz QHFBICZPPHMWFK-APWZRJJASA-N 2 0 343.515 3.288 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295177 461173077 /nfs/dbraw/zinc/17/30/77/461173077.db2.gz FSASCAQAFYVBON-WMZOPIPTSA-N 2 0 329.488 3.034 20 0 EGADRP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c(C)c1 ZINC000668196563 461174164 /nfs/dbraw/zinc/17/41/64/461174164.db2.gz PIPZBSQNUXGVDI-YOFSQIOKSA-N 2 0 346.515 3.467 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Cl ZINC000662295666 461174930 /nfs/dbraw/zinc/17/49/30/461174930.db2.gz HODNFYVKJLADJD-MRXNPFEDSA-N 2 0 349.906 3.380 20 0 EGADRP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)cc1 ZINC000662316830 461187851 /nfs/dbraw/zinc/18/78/51/461187851.db2.gz XHVFNAZHVZCFGH-NVXWUHKLSA-N 2 0 328.460 3.384 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662381636 461224073 /nfs/dbraw/zinc/22/40/73/461224073.db2.gz YLYOPROHIRIDLR-TZIWHRDSSA-N 2 0 349.478 3.002 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655444036 461254126 /nfs/dbraw/zinc/25/41/26/461254126.db2.gz IBEAXKDKCYPXBK-BSIFCXSSSA-N 2 0 341.499 3.389 20 0 EGADRP CC[N@@H+](Cc1ccc(=O)[nH]c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638138403 461266725 /nfs/dbraw/zinc/26/67/25/461266725.db2.gz AIDBSWLZOIJKDI-IBGZPJMESA-N 2 0 325.456 3.131 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000662531081 461284134 /nfs/dbraw/zinc/28/41/34/461284134.db2.gz UBKUSJKBRWQIFF-YOEHRIQHSA-N 2 0 339.911 3.070 20 0 EGADRP CC(C[NH+]1CCC[C@@H](OC(C)C)C1)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649702739 461290762 /nfs/dbraw/zinc/29/07/62/461290762.db2.gz LYQRIAXVYDANNW-WOJBJXKFSA-N 2 0 340.552 3.401 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c1 ZINC000662682144 461344763 /nfs/dbraw/zinc/34/47/63/461344763.db2.gz GJYJDLKGLFLMSM-GOSISDBHSA-N 2 0 337.467 3.379 20 0 EGADRP CC(C)NC(=O)CNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638278505 461345678 /nfs/dbraw/zinc/34/56/78/461345678.db2.gz CDGIXMDVQLLYTD-NRFANRHFSA-N 2 0 345.531 3.039 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)cc1 ZINC000638309532 461357853 /nfs/dbraw/zinc/35/78/53/461357853.db2.gz RJMZTJNREMNZQI-QFBILLFUSA-N 2 0 331.504 3.065 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H]1CCOC1 ZINC000638367140 461391082 /nfs/dbraw/zinc/39/10/82/461391082.db2.gz MKXLZMLWYCXJMH-DUXKGJEZSA-N 2 0 346.515 3.202 20 0 EGADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000655736939 461404057 /nfs/dbraw/zinc/40/40/57/461404057.db2.gz LDDCRWKBNSRYQY-LJQANCHMSA-N 2 0 339.483 3.416 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655745435 461412418 /nfs/dbraw/zinc/41/24/18/461412418.db2.gz RFGTZVHALIIGCN-NRFANRHFSA-N 2 0 343.515 3.338 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1O ZINC000668783928 461432924 /nfs/dbraw/zinc/43/29/24/461432924.db2.gz XKIYHPQSOQBEGE-MRXNPFEDSA-N 2 0 346.515 3.434 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000655780573 461443845 /nfs/dbraw/zinc/44/38/45/461443845.db2.gz WEUZKNRNQQLZJA-INIZCTEOSA-N 2 0 330.451 3.141 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858634 461461391 /nfs/dbraw/zinc/46/13/91/461461391.db2.gz XMCHNUSNUMGSRI-CZUORRHYSA-N 2 0 332.410 3.399 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858637 461461630 /nfs/dbraw/zinc/46/16/30/461461630.db2.gz XMCHNUSNUMGSRI-XJKSGUPXSA-N 2 0 332.410 3.399 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)CC1 ZINC000637288396 461465066 /nfs/dbraw/zinc/46/50/66/461465066.db2.gz FSNNHYDTBFLNBH-LJQANCHMSA-N 2 0 343.515 3.016 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631040288 461492132 /nfs/dbraw/zinc/49/21/32/461492132.db2.gz AHIIUTGMJBEHNC-INIZCTEOSA-N 2 0 329.463 3.095 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653108153 461504902 /nfs/dbraw/zinc/50/49/02/461504902.db2.gz KPPXLVLCMHRHLW-SJLPKXTDSA-N 2 0 329.488 3.389 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000647168117 461537838 /nfs/dbraw/zinc/53/78/38/461537838.db2.gz IBCFWRBEJDBBNX-UHFFFAOYSA-N 2 0 330.476 3.387 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631090061 461539349 /nfs/dbraw/zinc/53/93/49/461539349.db2.gz HAXTXJNSAKALBJ-HOTGVXAUSA-N 2 0 325.456 3.033 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000638706544 461544162 /nfs/dbraw/zinc/54/41/62/461544162.db2.gz GKLWBBRHDGOQPV-RDPOXOKHSA-N 2 0 327.516 3.427 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000638734772 461554496 /nfs/dbraw/zinc/55/44/96/461554496.db2.gz HSKMFAOUSVRVFV-HIFRSBDPSA-N 2 0 336.442 3.180 20 0 EGADRP Cc1cc(C)c(/C=C\C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000631113656 461561043 /nfs/dbraw/zinc/56/10/43/461561043.db2.gz JIJKAMCIOIVQLP-HCZHMGAMSA-N 2 0 329.532 3.241 20 0 EGADRP Cc1nnsc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000638796561 461582628 /nfs/dbraw/zinc/58/26/28/461582628.db2.gz KXDKKDCOYDKJRR-PBHICJAKSA-N 2 0 330.501 3.237 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253599 461593489 /nfs/dbraw/zinc/59/34/89/461593489.db2.gz YRPNFXYAEWIVBG-MSOLQXFVSA-N 2 0 347.528 3.201 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)C1 ZINC000643083092 461604291 /nfs/dbraw/zinc/60/42/91/461604291.db2.gz UQCZJGXXBPHIFJ-YLJYHZDGSA-N 2 0 341.455 3.060 20 0 EGADRP COc1cc(F)cc(OC)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000631178602 461617595 /nfs/dbraw/zinc/61/75/95/461617595.db2.gz LRWCHNKIFGRDRY-UHFFFAOYSA-N 2 0 336.451 3.055 20 0 EGADRP COc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1C(C)(C)C ZINC000631180862 461619107 /nfs/dbraw/zinc/61/91/07/461619107.db2.gz WHWVUYSFJPMOPU-UHFFFAOYSA-N 2 0 347.547 3.062 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1-n1ccnn1 ZINC000663465537 461655741 /nfs/dbraw/zinc/65/57/41/461655741.db2.gz KJMOOWLHUIVQGI-AEFFLSMTSA-N 2 0 339.487 3.040 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469581 461660065 /nfs/dbraw/zinc/66/00/65/461660065.db2.gz QVAFOJOKBNMSPE-DOTOQJQBSA-N 2 0 347.478 3.254 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000643344542 461698030 /nfs/dbraw/zinc/69/80/30/461698030.db2.gz NQGCZIHZJZPJCK-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Br)c(F)c1 ZINC000643537022 461757058 /nfs/dbraw/zinc/75/70/58/461757058.db2.gz YDMQNOFVGUEQCS-YGRLFVJLSA-N 2 0 327.241 3.381 20 0 EGADRP c1cncc(COc2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2)c1 ZINC000647482668 461730681 /nfs/dbraw/zinc/73/06/81/461730681.db2.gz XBXAEMXKEYQMLE-UHFFFAOYSA-N 2 0 337.467 3.377 20 0 EGADRP Fc1ccc2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)nc2c1F ZINC000639108419 461732785 /nfs/dbraw/zinc/73/27/85/461732785.db2.gz ICVWWRJEKXJPDK-UHFFFAOYSA-N 2 0 331.410 3.477 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462813 461735276 /nfs/dbraw/zinc/73/52/76/461735276.db2.gz LQQAWQHASLENKD-POZUXBRTSA-N 2 0 345.437 3.092 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@H]2CCCOC2)cc1 ZINC000656406069 461736004 /nfs/dbraw/zinc/73/60/04/461736004.db2.gz LTPUKYYTSOGRNO-AFDCHOCNSA-N 2 0 326.484 3.008 20 0 EGADRP c1ccc2c(c1)onc2CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000653587109 461742901 /nfs/dbraw/zinc/74/29/01/461742901.db2.gz PPMWFIGDUMEGLF-DNVCBOLYSA-N 2 0 325.456 3.319 20 0 EGADRP CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000669621126 461744307 /nfs/dbraw/zinc/74/43/07/461744307.db2.gz ITZDYBUYPGRRBJ-FXAWDEMLSA-N 2 0 332.488 3.161 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647535686 461753230 /nfs/dbraw/zinc/75/32/30/461753230.db2.gz ZPQBIXWRWXXVKT-HNNXBMFYSA-N 2 0 338.455 3.394 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542882 461756158 /nfs/dbraw/zinc/75/61/58/461756158.db2.gz DIOASHUGCVOZSC-HOTGVXAUSA-N 2 0 336.549 3.201 20 0 EGADRP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643546079 461758051 /nfs/dbraw/zinc/75/80/51/461758051.db2.gz ICTMXSFJOHNANR-ZGOJQLDESA-N 2 0 339.483 3.083 20 0 EGADRP c1sc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1-c1ccncc1 ZINC000647550529 461762641 /nfs/dbraw/zinc/76/26/41/461762641.db2.gz WJEHVCCRBOPMAD-IXDOHACOSA-N 2 0 342.512 3.115 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666743556 461785559 /nfs/dbraw/zinc/78/55/59/461785559.db2.gz BRLXSYGAXDKGBH-MAUKXSAKSA-N 2 0 332.879 3.192 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828216 461826311 /nfs/dbraw/zinc/82/63/11/461826311.db2.gz JDRAZKXIFHLKHT-INIZCTEOSA-N 2 0 332.488 3.040 20 0 EGADRP c1ccc([C@H](CN2CCCCC2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647784555 461832804 /nfs/dbraw/zinc/83/28/04/461832804.db2.gz YFSWOZADXGCCHO-BQJUDKOJSA-N 2 0 327.516 3.191 20 0 EGADRP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647785856 461832839 /nfs/dbraw/zinc/83/28/39/461832839.db2.gz FSWXGWYYGRDYDL-BPLDGKMQSA-N 2 0 328.378 3.105 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OCC(F)(F)F)c1 ZINC000647789019 461835831 /nfs/dbraw/zinc/83/58/31/461835831.db2.gz WZHDVHCCIXIURN-FVQBIDKESA-N 2 0 342.405 3.414 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000666856335 461837764 /nfs/dbraw/zinc/83/77/64/461837764.db2.gz BHEBAXJJCSLVIE-CQSZACIVSA-N 2 0 346.393 3.258 20 0 EGADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000647795403 461838112 /nfs/dbraw/zinc/83/81/12/461838112.db2.gz PREZCFHXCWFESY-OSAQELSMSA-N 2 0 348.288 3.408 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000647796479 461840192 /nfs/dbraw/zinc/84/01/92/461840192.db2.gz AQSWYYJYZRWAPQ-ZJOBFFGXSA-N 2 0 343.298 3.395 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000647796478 461840201 /nfs/dbraw/zinc/84/02/01/461840201.db2.gz AQSWYYJYZRWAPQ-WBOJAVRRSA-N 2 0 343.298 3.395 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(CC(F)(F)F)cc1)CCO2 ZINC000639286863 461845750 /nfs/dbraw/zinc/84/57/50/461845750.db2.gz FQXQLTMCCMCGCV-UHFFFAOYSA-N 2 0 342.405 3.088 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000647883341 461870092 /nfs/dbraw/zinc/87/00/92/461870092.db2.gz GLXFMFPFCZAPDF-FQEVSTJZSA-N 2 0 343.515 3.051 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OCC(C)C ZINC000666950896 461885524 /nfs/dbraw/zinc/88/55/24/461885524.db2.gz PMAIVQKJEWHGKH-IBGZPJMESA-N 2 0 332.488 3.352 20 0 EGADRP Clc1cc(Br)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952305 461885537 /nfs/dbraw/zinc/88/55/37/461885537.db2.gz PTZRMEMAHGTGTF-ZDUSSCGKSA-N 2 0 329.669 3.334 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954364 461886390 /nfs/dbraw/zinc/88/63/90/461886390.db2.gz VLUFSRDUFXMVNQ-GOSISDBHSA-N 2 0 333.907 3.036 20 0 EGADRP CCCCCOc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000666953774 461886419 /nfs/dbraw/zinc/88/64/19/461886419.db2.gz HSNXIRMNVXWTKK-IBGZPJMESA-N 2 0 332.488 3.496 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OCC ZINC000666954004 461886746 /nfs/dbraw/zinc/88/67/46/461886746.db2.gz NGNRPNYRZWUPML-IBGZPJMESA-N 2 0 332.488 3.496 20 0 EGADRP COCc1cccc(OCC2(C[NH+]3CCC(C)([NH3+])CC3)CCC2)c1 ZINC000647924678 461888743 /nfs/dbraw/zinc/88/87/43/461888743.db2.gz BVJPZJIEOHCMGG-UHFFFAOYSA-N 2 0 332.488 3.195 20 0 EGADRP CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)c2cc(N)ccc2O1 ZINC000656784446 461894284 /nfs/dbraw/zinc/89/42/84/461894284.db2.gz BAZMJOMUVWATMX-LJQANCHMSA-N 2 0 337.467 3.307 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785166 461895641 /nfs/dbraw/zinc/89/56/41/461895641.db2.gz JWZROMMEPQXQMU-NRFANRHFSA-N 2 0 338.499 3.143 20 0 EGADRP c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cn2)cc1 ZINC000656786217 461898472 /nfs/dbraw/zinc/89/84/72/461898472.db2.gz PUHRARMBDZBBLZ-HXUWFJFHSA-N 2 0 336.483 3.355 20 0 EGADRP COc1ccc2oc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cc2c1 ZINC000650707264 461899867 /nfs/dbraw/zinc/89/98/67/461899867.db2.gz BXMRHCPCIFDJKZ-YYFZDKIDSA-N 2 0 344.455 3.160 20 0 EGADRP Cc1nc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cc2s1 ZINC000650707292 461900049 /nfs/dbraw/zinc/90/00/49/461900049.db2.gz CLDDCNQBUFUOPZ-JZXOWHBKSA-N 2 0 345.512 3.323 20 0 EGADRP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2O1 ZINC000650707434 461900710 /nfs/dbraw/zinc/90/07/10/461900710.db2.gz GDZUQVWZXIXHRH-HQRMLTQVSA-N 2 0 344.499 3.118 20 0 EGADRP CC[C@@H](C)Oc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650709283 461902946 /nfs/dbraw/zinc/90/29/46/461902946.db2.gz OUSBFYJXYJMEHU-SYNHAJSKSA-N 2 0 332.488 3.433 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000650709938 461903275 /nfs/dbraw/zinc/90/32/75/461903275.db2.gz YEUOHJIGUBRRAM-FPOVZHCZSA-N 2 0 337.467 3.221 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975090 461916484 /nfs/dbraw/zinc/91/64/84/461916484.db2.gz KROAWVIXSNPXCA-QXAKKESOSA-N 2 0 343.515 3.288 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647976113 461918748 /nfs/dbraw/zinc/91/87/48/461918748.db2.gz KECWMMSEWRHIQK-YESZJQIVSA-N 2 0 347.478 3.173 20 0 EGADRP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976619 461919505 /nfs/dbraw/zinc/91/95/05/461919505.db2.gz RDZHNEWGJMXIHJ-CVEARBPZSA-N 2 0 347.528 3.059 20 0 EGADRP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978159 461920150 /nfs/dbraw/zinc/92/01/50/461920150.db2.gz NJKUNPZFDWCBMQ-SQNIBIBYSA-N 2 0 339.487 3.040 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1ccc(F)cc1C(F)(F)F)CCO2 ZINC000648071704 461967965 /nfs/dbraw/zinc/96/79/65/461967965.db2.gz PPDHSNGEIJZSFG-UHFFFAOYSA-N 2 0 346.368 3.141 20 0 EGADRP O[C@]1(C(F)(F)F)CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000644550452 461980589 /nfs/dbraw/zinc/98/05/89/461980589.db2.gz QUGKNPRAWRJTHV-GOEBONIOSA-N 2 0 334.426 3.219 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182723 461983157 /nfs/dbraw/zinc/98/31/57/461983157.db2.gz LVPCKZVBABFSJX-WOJBJXKFSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000644563148 461986292 /nfs/dbraw/zinc/98/62/92/461986292.db2.gz NVAWEPSLPBYCBI-APWZRJJASA-N 2 0 348.531 3.044 20 0 EGADRP [NH3+][C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(Cl)c1 ZINC000648164561 461994493 /nfs/dbraw/zinc/99/44/93/461994493.db2.gz OULVJTQBGLJWRW-SFHVURJKSA-N 2 0 349.906 3.111 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594240 462008773 /nfs/dbraw/zinc/00/87/73/462008773.db2.gz YEQUWCXSCPLSBL-QZTJIDSGSA-N 2 0 326.488 3.233 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000657293704 462022501 /nfs/dbraw/zinc/02/25/01/462022501.db2.gz UBAQNNVICURQQG-QZTJIDSGSA-N 2 0 334.504 3.454 20 0 EGADRP O=C(Nc1cccc(C[NH2+]Cc2cnc3n2CCC3)c1)C1CCCC1 ZINC000657317233 462041520 /nfs/dbraw/zinc/04/15/20/462041520.db2.gz VYRFMLMZXGCESS-UHFFFAOYSA-N 2 0 338.455 3.248 20 0 EGADRP c1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n(CC2CC2)n1 ZINC000657329141 462051145 /nfs/dbraw/zinc/05/11/45/462051145.db2.gz LLFOYZQJSLQNLK-UHFFFAOYSA-N 2 0 338.499 3.295 20 0 EGADRP CCCOc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)c(C)c1 ZINC000657347438 462063213 /nfs/dbraw/zinc/06/32/13/462063213.db2.gz RLDOAADQHYFQIW-GOSISDBHSA-N 2 0 347.547 3.147 20 0 EGADRP COCc1csc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000657425361 462113625 /nfs/dbraw/zinc/11/36/25/462113625.db2.gz IWTQOFFDBAOFKC-UHFFFAOYSA-N 2 0 331.485 3.296 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000657433512 462119785 /nfs/dbraw/zinc/11/97/85/462119785.db2.gz SOOPTSPGIZWCKM-QZTJIDSGSA-N 2 0 334.504 3.454 20 0 EGADRP C[NH+](C)CC1(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CCCC1 ZINC000657436226 462123076 /nfs/dbraw/zinc/12/30/76/462123076.db2.gz UOIPWEDIJJQQHL-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000657449807 462132028 /nfs/dbraw/zinc/13/20/28/462132028.db2.gz FKILWEDRVSXBFB-INIZCTEOSA-N 2 0 332.488 3.064 20 0 EGADRP CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000657612775 462203484 /nfs/dbraw/zinc/20/34/84/462203484.db2.gz ROPDIRCAPQYPRF-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP COC1(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000645187512 462224516 /nfs/dbraw/zinc/22/45/16/462224516.db2.gz DVENUQGJXYTXFX-UHFFFAOYSA-N 2 0 332.488 3.210 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000667735068 462238750 /nfs/dbraw/zinc/23/87/50/462238750.db2.gz HBGIIHZIPUUOAT-GOSISDBHSA-N 2 0 330.476 3.064 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812475 462279544 /nfs/dbraw/zinc/27/95/44/462279544.db2.gz DEBSJJMXYYHARG-PGRDOPGGSA-N 2 0 341.543 3.219 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000667853917 462295351 /nfs/dbraw/zinc/29/53/51/462295351.db2.gz SVMUHJTYIRRYPR-AZUAARDMSA-N 2 0 348.531 3.353 20 0 EGADRP COC1([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000657851249 462296519 /nfs/dbraw/zinc/29/65/19/462296519.db2.gz ZUDSCANZVZDZEE-LJQANCHMSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651678513 462300950 /nfs/dbraw/zinc/30/09/50/462300950.db2.gz SOGHWZRIGFXKTP-KRWDZBQOSA-N 2 0 327.476 3.012 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000645495129 462347295 /nfs/dbraw/zinc/34/72/95/462347295.db2.gz XBMKGJSFJCUZNV-GJZGRUSLSA-N 2 0 330.451 3.392 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000665240572 462364343 /nfs/dbraw/zinc/36/43/43/462364343.db2.gz NTNMIYKQGLAFIN-SFTDATJTSA-N 3 0 336.483 3.028 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665259143 462374504 /nfs/dbraw/zinc/37/45/04/462374504.db2.gz WIUZWFQPONZWJL-KCUHQSDYSA-N 2 0 333.495 3.172 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000645964236 462480259 /nfs/dbraw/zinc/48/02/59/462480259.db2.gz WFUYGNHLLLGCIM-NVXWUHKLSA-N 2 0 331.504 3.010 20 0 EGADRP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000662150293 462531995 /nfs/dbraw/zinc/53/19/95/462531995.db2.gz UKKIDPGZTXXQNU-YFVAEKQCSA-N 2 0 328.500 3.101 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000354626461 534911626 /nfs/dbraw/zinc/91/16/26/534911626.db2.gz UHCYWUHRMKVNEH-LJQANCHMSA-N 2 0 347.503 3.076 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000344674167 535164494 /nfs/dbraw/zinc/16/44/94/535164494.db2.gz PPGWPOQSVDBDKZ-UHFFFAOYSA-N 2 0 339.483 3.074 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000354602894 535556121 /nfs/dbraw/zinc/55/61/21/535556121.db2.gz PSQVEVJBVUTUJC-LJQANCHMSA-N 2 0 347.503 3.220 20 0 EGADRP C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000089552112 546644795 /nfs/dbraw/zinc/64/47/95/546644795.db2.gz GGFWUFOAJHERKM-ZDUSSCGKSA-N 2 0 330.394 3.404 20 0 EGADRP C[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC000090234844 546654569 /nfs/dbraw/zinc/65/45/69/546654569.db2.gz APOUHWZFCAQLHD-CYBMUJFWSA-N 2 0 330.394 3.448 20 0 EGADRP C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000090450660 546657849 /nfs/dbraw/zinc/65/78/49/546657849.db2.gz MGLPOWRWPIWXDZ-NSHDSACASA-N 2 0 332.275 3.087 20 0 EGADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCCO1 ZINC000092428859 546674540 /nfs/dbraw/zinc/67/45/40/546674540.db2.gz GRQQIXXBLXYOHT-FQEVSTJZSA-N 2 0 332.488 3.162 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000093442358 546685169 /nfs/dbraw/zinc/68/51/69/546685169.db2.gz SUVHTJVITVKWAL-OAQYLSRUSA-N 2 0 342.483 3.183 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC[NH+](C)CC1 ZINC000125539668 546752732 /nfs/dbraw/zinc/75/27/32/546752732.db2.gz VYHGWVULUCZKST-INIZCTEOSA-N 3 0 335.561 3.280 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccco1 ZINC000151902849 546860930 /nfs/dbraw/zinc/86/09/30/546860930.db2.gz BEFKQCSGVJLJBE-IEBWSBKVSA-N 2 0 327.472 3.309 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000157484840 546921311 /nfs/dbraw/zinc/92/13/11/546921311.db2.gz QPYCEMLKYNSDRL-ZIAGYGMSSA-N 2 0 336.476 3.093 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000157938917 546925008 /nfs/dbraw/zinc/92/50/08/546925008.db2.gz VVYYSCJZIGKIIK-OAHLLOKOSA-N 2 0 337.458 3.255 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000166647482 546989548 /nfs/dbraw/zinc/98/95/48/546989548.db2.gz YIFRCOMSAITQOM-QZTJIDSGSA-N 2 0 332.488 3.243 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000182012855 547075123 /nfs/dbraw/zinc/07/51/23/547075123.db2.gz YYBYQIMJBYSEKQ-XLIONFOSSA-N 2 0 339.483 3.065 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339068642 547568563 /nfs/dbraw/zinc/56/85/63/547568563.db2.gz RYTYMNCOMLEZHL-IKGGRYGDSA-N 2 0 349.906 3.144 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000339234348 547571125 /nfs/dbraw/zinc/57/11/25/547571125.db2.gz PTBJZEDFUDABSY-GOSISDBHSA-N 2 0 343.515 3.163 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398111913 547837024 /nfs/dbraw/zinc/83/70/24/547837024.db2.gz DJCSHUJWNMECBO-HOJAQTOUSA-N 2 0 345.531 3.024 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000414922066 547861917 /nfs/dbraw/zinc/86/19/17/547861917.db2.gz GGMNBRGJFWUHJU-KGLIPLIRSA-N 2 0 349.276 3.199 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414974323 547862543 /nfs/dbraw/zinc/86/25/43/547862543.db2.gz JTLSHGHBISNOQA-IEBWSBKVSA-N 2 0 344.503 3.106 20 0 EGADRP C[N@@H+](Cc1cnc(C2CC2)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459476998 547943199 /nfs/dbraw/zinc/94/31/99/547943199.db2.gz FLGZALBYQSLACU-UHFFFAOYSA-N 2 0 337.471 3.097 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC000472276974 547952602 /nfs/dbraw/zinc/95/26/02/547952602.db2.gz OPDVZRLPAGGMRA-LJQANCHMSA-N 2 0 326.525 3.159 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3scnc3C3CC3)CC2)C[C@@H](C)O1 ZINC000494987149 547995784 /nfs/dbraw/zinc/99/57/84/547995784.db2.gz SIZMJPNQFLVCJV-HUUCEWRRSA-N 2 0 349.544 3.342 20 0 EGADRP CC(C)(C)C(=O)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000673812095 548632875 /nfs/dbraw/zinc/63/28/75/548632875.db2.gz PREKVOPBZITXCZ-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000675775625 548978806 /nfs/dbraw/zinc/97/88/06/548978806.db2.gz HSGBUTQKDWIRSZ-HZPDHXFCSA-N 2 0 335.923 3.486 20 0 EGADRP C[C@H](Cc1cccs1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000676069494 549032357 /nfs/dbraw/zinc/03/23/57/549032357.db2.gz UKMXAJZRULDMGO-OAHLLOKOSA-N 2 0 333.501 3.194 20 0 EGADRP COc1cc(C)nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000677437158 549269654 /nfs/dbraw/zinc/26/96/54/549269654.db2.gz GEEOWFVRKKTBNY-UHFFFAOYSA-N 2 0 331.504 3.487 20 0 EGADRP c1cn2c(cccc2C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000678813890 549567305 /nfs/dbraw/zinc/56/73/05/549567305.db2.gz PIFQSDLCJVHQFA-UHFFFAOYSA-N 2 0 326.488 3.422 20 0 EGADRP CCc1nn(C)cc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000678853940 549579630 /nfs/dbraw/zinc/57/96/30/549579630.db2.gz UAAQCHGDRUWJST-UHFFFAOYSA-N 2 0 332.536 3.317 20 0 EGADRP COC1(C)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000679422733 549708823 /nfs/dbraw/zinc/70/88/23/549708823.db2.gz AHMRBOXSZZLADQ-UHFFFAOYSA-N 2 0 332.488 3.162 20 0 EGADRP C[C@@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO[C@H]1C1CC1 ZINC000680150089 549827780 /nfs/dbraw/zinc/82/77/80/549827780.db2.gz XGTVDEXNGFXCJQ-LEWJYISDSA-N 2 0 344.499 3.208 20 0 EGADRP C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C1CC[NH+](C)CC1 ZINC000680350578 549853770 /nfs/dbraw/zinc/85/37/70/549853770.db2.gz WQYUJVFOWGAHDE-AWEZNQCLSA-N 2 0 346.450 3.128 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000680460811 549867683 /nfs/dbraw/zinc/86/76/83/549867683.db2.gz KLURBWVONLQUAK-IBGZPJMESA-N 2 0 326.488 3.373 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cscc3Cl)CC2)CC1 ZINC000680483810 549870683 /nfs/dbraw/zinc/87/06/83/549870683.db2.gz RJWKSBMIBMUJMC-UHFFFAOYSA-N 2 0 341.952 3.251 20 0 EGADRP C[C@@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000680828087 549915256 /nfs/dbraw/zinc/91/52/56/549915256.db2.gz QEACQNAKBLRFMK-AUUYWEPGSA-N 2 0 346.906 3.483 20 0 EGADRP CCSc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000681700326 550028625 /nfs/dbraw/zinc/02/86/25/550028625.db2.gz DQZKPSAJGAPRNR-UHFFFAOYSA-N 2 0 345.512 3.424 20 0 EGADRP C[C@H](CC[NH+]1CCN(c2cc[nH+]cc2)CC1)OCc1ccccc1 ZINC000682761865 550140216 /nfs/dbraw/zinc/14/02/16/550140216.db2.gz RTCWKIGFGFWOBV-GOSISDBHSA-N 2 0 325.456 3.199 20 0 EGADRP COCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[C@H](C)C1 ZINC000683001376 550177052 /nfs/dbraw/zinc/17/70/52/550177052.db2.gz UBWRKTOQQZRGAL-HKUYNNGSSA-N 2 0 334.504 3.264 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1C ZINC000684889654 550381101 /nfs/dbraw/zinc/38/11/01/550381101.db2.gz FCIUBIAIJHCISM-VQTJNVASSA-N 2 0 339.483 3.141 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N(C)C)nc1 ZINC000685456439 550418254 /nfs/dbraw/zinc/41/82/54/550418254.db2.gz NDMKONRYWJASGL-UHFFFAOYSA-N 2 0 326.488 3.231 20 0 EGADRP CCOC1CC([N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685472328 550422107 /nfs/dbraw/zinc/42/21/07/550422107.db2.gz FCIHTZVTCVPOHC-UHFFFAOYSA-N 2 0 332.488 3.161 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000729680680 574878063 /nfs/dbraw/zinc/87/80/63/574878063.db2.gz NHUISIBCWQSGST-LJQANCHMSA-N 2 0 337.511 3.327 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000305892637 1297064944 /nfs/dbraw/zinc/06/49/44/1297064944.db2.gz FHPWFOGADCKQJQ-INIZCTEOSA-N 2 0 341.540 3.342 20 0 EGADRP [NH3+]CCCCCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000688927208 1298123278 /nfs/dbraw/zinc/12/32/78/1298123278.db2.gz PXCPLILCDOMHGX-IBGZPJMESA-N 2 0 331.504 3.067 20 0 EGADRP CC1(C)[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@H]21 ZINC000693698134 1298150782 /nfs/dbraw/zinc/15/07/82/1298150782.db2.gz TWQRCQVVVYRPIK-VAMGGRTRSA-N 2 0 327.516 3.017 20 0 EGADRP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000782294298 1304949544 /nfs/dbraw/zinc/94/95/44/1304949544.db2.gz OMCZUWKBPSQOOP-LJQANCHMSA-N 2 0 337.552 3.427 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000069749896 1292248767 /nfs/dbraw/zinc/24/87/67/1292248767.db2.gz QXCFVGUQWZCHQQ-UHFFFAOYSA-N 2 0 327.472 3.280 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000069785292 1292251702 /nfs/dbraw/zinc/25/17/02/1292251702.db2.gz CVUCDBZPNQUEFF-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000078047888 1292493922 /nfs/dbraw/zinc/49/39/22/1292493922.db2.gz IEXKMQSEQMMWGA-INIZCTEOSA-N 2 0 339.524 3.048 20 0 EGADRP c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c2c(c1)OCCO2 ZINC000080347851 1292596245 /nfs/dbraw/zinc/59/62/45/1292596245.db2.gz OFINWMOVRVWJGG-UHFFFAOYSA-N 2 0 330.472 3.345 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000089158211 1292758768 /nfs/dbraw/zinc/75/87/68/1292758768.db2.gz NOTNJINGHJTEOG-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C[C@H]([NH3+])C3CC3)c2)CC1 ZINC000831502277 1292873595 /nfs/dbraw/zinc/87/35/95/1292873595.db2.gz KHQDWGVELLKSMH-IBGZPJMESA-N 2 0 329.488 3.027 20 0 EGADRP [NH3+]CCCCCCC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000831826379 1292922533 /nfs/dbraw/zinc/92/25/33/1292922533.db2.gz AFHWOPGBOGVEDO-IBGZPJMESA-N 2 0 331.504 3.239 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093844594 1292935524 /nfs/dbraw/zinc/93/55/24/1292935524.db2.gz GIJNHNDBVNPPKH-OAHLLOKOSA-N 2 0 349.544 3.324 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C1 ZINC000093963680 1292938744 /nfs/dbraw/zinc/93/87/44/1292938744.db2.gz DCEUKKRCMSPUBX-HNNXBMFYSA-N 2 0 332.517 3.359 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000105442182 1293037021 /nfs/dbraw/zinc/03/70/21/1293037021.db2.gz WGZOPONSUNANBM-AWEZNQCLSA-N 2 0 344.330 3.357 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000105454538 1293037507 /nfs/dbraw/zinc/03/75/07/1293037507.db2.gz HULKUSQAZCFLTN-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000109068642 1293086489 /nfs/dbraw/zinc/08/64/89/1293086489.db2.gz WGUZWUYPCYSXRL-QGZVFWFLSA-N 2 0 343.515 3.162 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000109068224 1293086621 /nfs/dbraw/zinc/08/66/21/1293086621.db2.gz BTOGTVZTQMOMNL-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCC2)cc1C[NH+]1CCCCC1 ZINC000834905843 1293172247 /nfs/dbraw/zinc/17/22/47/1293172247.db2.gz LWBLJRKILGRCKW-JXFKEZNVSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1nc(Br)cs1 ZINC000834908108 1293173050 /nfs/dbraw/zinc/17/30/50/1293173050.db2.gz GXGMNLYRLDQHOC-SNVBAGLBSA-N 2 0 332.311 3.431 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C[NH+]1CCCC1 ZINC000120942908 1293347665 /nfs/dbraw/zinc/34/76/65/1293347665.db2.gz APTSSFQFCDPGII-PXNSSMCTSA-N 2 0 332.488 3.066 20 0 EGADRP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000120987171 1293350083 /nfs/dbraw/zinc/35/00/83/1293350083.db2.gz RQFKMUUTTQNYPX-HZPDHXFCSA-N 2 0 326.488 3.486 20 0 EGADRP CCOC(C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)OCC ZINC000125325261 1293503879 /nfs/dbraw/zinc/50/38/79/1293503879.db2.gz RTLTXZBOYAMYGZ-UHFFFAOYSA-N 2 0 335.492 3.019 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000130220102 1293649122 /nfs/dbraw/zinc/64/91/22/1293649122.db2.gz GLPKCYNNETWAHC-NCOADZHNSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130723748 1293667299 /nfs/dbraw/zinc/66/72/99/1293667299.db2.gz ZILXDBMYRRTDGV-DLBZAZTESA-N 2 0 339.524 3.240 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc4ccccn34)CC2)CC1 ZINC000131090684 1293679114 /nfs/dbraw/zinc/67/91/14/1293679114.db2.gz GGSPPMTZAFONBY-UHFFFAOYSA-N 2 0 326.488 3.467 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000132619679 1293724463 /nfs/dbraw/zinc/72/44/63/1293724463.db2.gz CIDMJQMGTDFHHO-KRWDZBQOSA-N 2 0 339.524 3.242 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000151004455 1293902347 /nfs/dbraw/zinc/90/23/47/1293902347.db2.gz GETUQEHLMLZRFQ-HXUWFJFHSA-N 2 0 330.472 3.295 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000156615970 1294150773 /nfs/dbraw/zinc/15/07/73/1294150773.db2.gz GDKHLSQLBOMNFJ-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000157163065 1294169982 /nfs/dbraw/zinc/16/99/82/1294169982.db2.gz VDYKCDVZWMOEFE-FPOVZHCZSA-N 2 0 344.499 3.208 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC000161246559 1294287300 /nfs/dbraw/zinc/28/73/00/1294287300.db2.gz PLWWKSYMVDDBJB-QGZVFWFLSA-N 2 0 341.540 3.390 20 0 EGADRP CC(C)N(CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000166513127 1294363048 /nfs/dbraw/zinc/36/30/48/1294363048.db2.gz XUMPNYZPONHSJC-IAGOWNOFSA-N 2 0 339.524 3.238 20 0 EGADRP COc1ccc(CCNC(=[NH2+])NCCCCC[NH+]2CCCCC2)cc1 ZINC000171801601 1294418313 /nfs/dbraw/zinc/41/83/13/1294418313.db2.gz SKOQQNKCJTUBAQ-UHFFFAOYSA-N 2 0 346.519 3.008 20 0 EGADRP Cc1ccc([C@@H](O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174397116 1294498878 /nfs/dbraw/zinc/49/88/78/1294498878.db2.gz LTSLSKRBJSYJMF-UNMCSNQZSA-N 2 0 338.495 3.482 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)CCCCCC[NH3+])CC2)CC1 ZINC000178839802 1294759157 /nfs/dbraw/zinc/75/91/57/1294759157.db2.gz BWAVKLVLURJDBL-UHFFFAOYSA-N 2 0 337.552 3.255 20 0 EGADRP C[N@H+](CC1CC[NH2+]CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000178974912 1294765744 /nfs/dbraw/zinc/76/57/44/1294765744.db2.gz CKASMGNQIHHUKY-UHFFFAOYSA-N 2 0 337.305 3.412 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184229639 1295180691 /nfs/dbraw/zinc/18/06/91/1295180691.db2.gz BCBISTKOWPENSQ-OALUTQOASA-N 2 0 349.563 3.399 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)ccc1OC ZINC000189333179 1295515833 /nfs/dbraw/zinc/51/58/33/1295515833.db2.gz RHBHBNJWYWZAMI-BXWFABGCSA-N 2 0 334.504 3.349 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)CC1 ZINC000870862865 1296119788 /nfs/dbraw/zinc/11/97/88/1296119788.db2.gz DCMYTCYMQYSFKY-BGYRXZFFSA-N 2 0 343.515 3.052 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2)CC1 ZINC000870871549 1296122833 /nfs/dbraw/zinc/12/28/33/1296122833.db2.gz FCNLPPKDDBRJRN-VAMGGRTRSA-N 2 0 343.515 3.093 20 0 EGADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1CNC(=O)OC(C)(C)C ZINC000245572214 1296315374 /nfs/dbraw/zinc/31/53/74/1296315374.db2.gz GWSYAKVIPGSCAJ-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP CC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)OCCO1 ZINC000248894001 1296432042 /nfs/dbraw/zinc/43/20/42/1296432042.db2.gz UKKGWCRPBCYURK-VAMGGRTRSA-N 2 0 344.499 3.030 20 0 EGADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261923474 1296608116 /nfs/dbraw/zinc/60/81/16/1296608116.db2.gz BYEKSRUKCCPWND-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP c1ccc(COc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2)nc1 ZINC000262064770 1296617634 /nfs/dbraw/zinc/61/76/34/1296617634.db2.gz RNNSHPMTGBMSSE-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CC(C)(C)Sc2ccccc21)CN1CC[NH+](C)CC1 ZINC000872031912 1296679174 /nfs/dbraw/zinc/67/91/74/1296679174.db2.gz OAWXCWMUURPHNS-WMZOPIPTSA-N 2 0 347.572 3.475 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCCC2 ZINC000872035868 1296684204 /nfs/dbraw/zinc/68/42/04/1296684204.db2.gz NWYIODVHISSASJ-QAPCUYQASA-N 2 0 332.488 3.403 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)Sc2ccccc21 ZINC000872034396 1296684844 /nfs/dbraw/zinc/68/48/44/1296684844.db2.gz NLPZQTJRDFZIJF-RDJZCZTQSA-N 2 0 333.545 3.228 20 0 EGADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000264071725 1296691949 /nfs/dbraw/zinc/69/19/49/1296691949.db2.gz DKPIWCHGVMKCGM-VXGBXAGGSA-N 2 0 343.302 3.301 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314604 1296787177 /nfs/dbraw/zinc/78/71/77/1296787177.db2.gz NNFQOWJWFMOHFH-IRXDYDNUSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)C1CC[NH+](C)CC1 ZINC000301641639 1296791884 /nfs/dbraw/zinc/79/18/84/1296791884.db2.gz COKUFACZAJYQNB-OAHLLOKOSA-N 2 0 339.524 3.096 20 0 EGADRP CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857188794 1328524277 /nfs/dbraw/zinc/52/42/77/1328524277.db2.gz RYCCRFRPFLDELN-IBGZPJMESA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000305777295 1297050050 /nfs/dbraw/zinc/05/00/50/1297050050.db2.gz PLBWQFVQIBMPII-PMACEKPBSA-N 2 0 330.516 3.322 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000311199341 1297106178 /nfs/dbraw/zinc/10/61/78/1297106178.db2.gz JRUVVWLNRSVPTO-OXQOHEQNSA-N 2 0 346.421 3.110 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000320808172 1297171330 /nfs/dbraw/zinc/17/13/30/1297171330.db2.gz WTGUFJLPRKLZCN-CJNGLKHVSA-N 2 0 330.394 3.059 20 0 EGADRP CCOc1cccc(F)c1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000873127939 1297284969 /nfs/dbraw/zinc/28/49/69/1297284969.db2.gz XGRPUPHOLCPRPD-UHFFFAOYSA-N 2 0 326.481 3.141 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1)[NH+]1CCCC1 ZINC000340173040 1297309108 /nfs/dbraw/zinc/30/91/08/1297309108.db2.gz FMGWTWMNJJEQEU-RNQOJCNYSA-N 2 0 347.551 3.498 20 0 EGADRP CCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000873204394 1297351174 /nfs/dbraw/zinc/35/11/74/1297351174.db2.gz ABBCCKGAZVFOSM-KBAYOESNSA-N 2 0 334.529 3.419 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000873242318 1297383164 /nfs/dbraw/zinc/38/31/64/1297383164.db2.gz PBJCMSWQBNNZIC-RXVVDRJESA-N 3 0 329.532 3.266 20 0 EGADRP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000873241705 1297384082 /nfs/dbraw/zinc/38/40/82/1297384082.db2.gz ILVLHYXIKSTZIY-BHDDXSALSA-N 3 0 341.543 3.266 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCSc3ccc(Br)cc32)C1 ZINC000873253718 1297391882 /nfs/dbraw/zinc/39/18/82/1297391882.db2.gz CYODFVDRRBHGKR-SUZMYJTESA-N 2 0 327.291 3.313 20 0 EGADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254410 1297392459 /nfs/dbraw/zinc/39/24/59/1297392459.db2.gz SLTBSSYBOPFRGK-VNQPRFMTSA-N 2 0 325.294 3.487 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000873255449 1297392700 /nfs/dbraw/zinc/39/27/00/1297392700.db2.gz HGPWONCVTXESNZ-NXNVCVFFSA-N 2 0 336.451 3.162 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259401 1297395290 /nfs/dbraw/zinc/39/52/90/1297395290.db2.gz DLBFZNIZWSGNIB-TXCZRRACSA-N 2 0 349.906 3.486 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc2ccc(Cl)cc2n1C ZINC000873262737 1297395992 /nfs/dbraw/zinc/39/59/92/1297395992.db2.gz BREQCIVCHWIGOG-RJZRQDKASA-N 2 0 332.879 3.408 20 0 EGADRP O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCCC2 ZINC000873277529 1297406560 /nfs/dbraw/zinc/40/65/60/1297406560.db2.gz TVISGRLLEFSBRW-QXAKKESOSA-N 2 0 329.488 3.066 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CCS2 ZINC000873288838 1297410842 /nfs/dbraw/zinc/41/08/42/1297410842.db2.gz BQIJEHCIHWFHBT-ZBFHGGJFSA-N 2 0 336.476 3.111 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291473 1297412519 /nfs/dbraw/zinc/41/25/19/1297412519.db2.gz WFUCKXODYWDVQK-VQIMIIECSA-N 2 0 332.488 3.283 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc2c(s1)CCCC2 ZINC000873290996 1297412892 /nfs/dbraw/zinc/41/28/92/1297412892.db2.gz HSCYREOYRFKZIG-GDBMZVCRSA-N 2 0 334.529 3.436 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1nccc2ccccc21 ZINC000873290878 1297413062 /nfs/dbraw/zinc/41/30/62/1297413062.db2.gz BMMUASICNYINMN-DOTOQJQBSA-N 2 0 325.456 3.044 20 0 EGADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000873294526 1297417296 /nfs/dbraw/zinc/41/72/96/1297417296.db2.gz WEGQFRCPHCZZJR-UFYCRDLUSA-N 2 0 328.500 3.146 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1C ZINC000365664079 1297508506 /nfs/dbraw/zinc/50/85/06/1297508506.db2.gz PASDGHVWPOMNAV-IRXDYDNUSA-N 2 0 340.471 3.244 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000387628036 1297598764 /nfs/dbraw/zinc/59/87/64/1297598764.db2.gz DPORHZJPMAKYJA-RXVVDRJESA-N 2 0 345.531 3.039 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000391872007 1297647547 /nfs/dbraw/zinc/64/75/47/1297647547.db2.gz UVIFOYUFBVJKTR-HYVNUMGLSA-N 2 0 342.405 3.155 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C1CC[NH+](C)CC1 ZINC000396446487 1297687796 /nfs/dbraw/zinc/68/77/96/1297687796.db2.gz FFVJBIRBNCWSFI-LLVKDONJSA-N 2 0 329.257 3.408 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399092521 1297723704 /nfs/dbraw/zinc/72/37/04/1297723704.db2.gz UNKIHWRPHSMRMB-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404518644 1297755393 /nfs/dbraw/zinc/75/53/93/1297755393.db2.gz URAHURMOWARMEL-FAJBIJEISA-N 2 0 331.504 3.014 20 0 EGADRP CN(Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)OC(C)(C)C ZINC000405277817 1297763973 /nfs/dbraw/zinc/76/39/73/1297763973.db2.gz AALSRGMGDUKEOB-DLBZAZTESA-N 2 0 347.503 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000693860825 1298152940 /nfs/dbraw/zinc/15/29/40/1298152940.db2.gz GPSSXXNMHKZLRQ-HZPDHXFCSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700804798 1298180481 /nfs/dbraw/zinc/18/04/81/1298180481.db2.gz RFQSSEQEKHUTBR-SJORKVTESA-N 2 0 341.540 3.391 20 0 EGADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000704001502 1298205362 /nfs/dbraw/zinc/20/53/62/1298205362.db2.gz MFHBMOPSVOPFLU-DOTOQJQBSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H](C(=O)NCCCCCCC[NH+]1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000746884166 1298679890 /nfs/dbraw/zinc/67/98/90/1298679890.db2.gz DSTISHKPEUPERP-QRVBRYPASA-N 2 0 337.552 3.410 20 0 EGADRP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000746958507 1298695611 /nfs/dbraw/zinc/69/56/11/1298695611.db2.gz OZGHCVYJKIKYKV-UHFFFAOYSA-N 2 0 340.556 3.014 20 0 EGADRP CSC(C)(C)CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000876651712 1298898461 /nfs/dbraw/zinc/89/84/61/1298898461.db2.gz BYFFNXMAEGARIM-IRXDYDNUSA-N 2 0 327.582 3.009 20 0 EGADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000876724910 1298940431 /nfs/dbraw/zinc/94/04/31/1298940431.db2.gz BTWLKPYXWHINPP-FMDNFOFHSA-N 2 0 327.472 3.023 20 0 EGADRP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877069847 1299143749 /nfs/dbraw/zinc/14/37/49/1299143749.db2.gz HMAFRKRHYNRHKM-CVEARBPZSA-N 2 0 341.540 3.390 20 0 EGADRP [NH3+]C1(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000877201555 1299205067 /nfs/dbraw/zinc/20/50/67/1299205067.db2.gz JSFHSWGDVFNQCN-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000877201974 1299205475 /nfs/dbraw/zinc/20/54/75/1299205475.db2.gz UWWPLKXNUPSXBZ-YLJYHZDGSA-N 2 0 345.531 3.024 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000877448310 1299308851 /nfs/dbraw/zinc/30/88/51/1299308851.db2.gz DBILZSVBGBQZGF-AHRSYUTCSA-N 2 0 343.515 3.141 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877452993 1299311012 /nfs/dbraw/zinc/31/10/12/1299311012.db2.gz UYFWGQIWMBNCKR-SFNKJDCFSA-N 2 0 335.536 3.005 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877584458 1299413259 /nfs/dbraw/zinc/41/32/59/1299413259.db2.gz GBATVQGAAMXPLS-MRXNPFEDSA-N 2 0 339.524 3.003 20 0 EGADRP CCOc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1OC ZINC000877685191 1299478096 /nfs/dbraw/zinc/47/80/96/1299478096.db2.gz PDZFUDREAOVYPB-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C)c1 ZINC000751012503 1299497038 /nfs/dbraw/zinc/49/70/38/1299497038.db2.gz VHAAURBUYWFUQI-GOSISDBHSA-N 2 0 348.560 3.040 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC000753654256 1300000830 /nfs/dbraw/zinc/00/08/30/1300000830.db2.gz NIVRFOJWOMZFJA-GOSISDBHSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000753769231 1300017509 /nfs/dbraw/zinc/01/75/09/1300017509.db2.gz KDTIZJSTURVZCY-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000754795792 1300217456 /nfs/dbraw/zinc/21/74/56/1300217456.db2.gz OVXOODPSCPENFS-DVOMOZLQSA-N 2 0 329.271 3.243 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759134666 1301021112 /nfs/dbraw/zinc/02/11/12/1301021112.db2.gz IYAMCQHZTBGJJV-HOTGVXAUSA-N 2 0 341.540 3.247 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)c1ccc(F)cc1F ZINC000880516840 1301144015 /nfs/dbraw/zinc/14/40/15/1301144015.db2.gz ACDSSGSEDJFMMR-SFHVURJKSA-N 2 0 326.431 3.196 20 0 EGADRP CCCCCCNC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760832147 1301345720 /nfs/dbraw/zinc/34/57/20/1301345720.db2.gz VSUKWXOHARYYTR-OALUTQOASA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCc2ccn(C)n2)ccc1OC ZINC000760896325 1301359543 /nfs/dbraw/zinc/35/95/43/1301359543.db2.gz KCBXQTPRGBGJAT-INIZCTEOSA-N 2 0 344.503 3.164 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)C2CCOCC2)CCCO1 ZINC000762646596 1301720970 /nfs/dbraw/zinc/72/09/70/1301720970.db2.gz AMUDCMIRQGHVSP-GHTZIAJQSA-N 2 0 346.515 3.245 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000763409891 1301897834 /nfs/dbraw/zinc/89/78/34/1301897834.db2.gz KHOGPIHNOWTOAE-YHELAOLJSA-N 2 0 348.531 3.225 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000882950966 1302179875 /nfs/dbraw/zinc/17/98/75/1302179875.db2.gz IIPXSTZUPXAQPV-UHFFFAOYSA-N 2 0 341.499 3.485 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000883084868 1302240436 /nfs/dbraw/zinc/24/04/36/1302240436.db2.gz CZJFTLUKPOMNQH-UKRRQHHQSA-N 2 0 330.428 3.129 20 0 EGADRP COc1ccc2c(NC[C@@H](C(C)C)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000765458325 1302267249 /nfs/dbraw/zinc/26/72/49/1302267249.db2.gz BXYRGFLKBPCFAB-IBGZPJMESA-N 2 0 329.444 3.012 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000883383509 1302424870 /nfs/dbraw/zinc/42/48/70/1302424870.db2.gz AEINXPZJNUWUJA-QFBILLFUSA-N 2 0 344.499 3.379 20 0 EGADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CCCC1 ZINC000766334048 1302432297 /nfs/dbraw/zinc/43/22/97/1302432297.db2.gz VUKXTUVKWSQHPO-HOTGVXAUSA-N 2 0 339.524 3.144 20 0 EGADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000768106756 1302824732 /nfs/dbraw/zinc/82/47/32/1302824732.db2.gz VJZQDLMRYRHLCH-VQTJNVASSA-N 2 0 346.515 3.289 20 0 EGADRP C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769785525 1303174040 /nfs/dbraw/zinc/17/40/40/1303174040.db2.gz CSKITRLPCACBGH-IHPCNDPISA-N 2 0 332.488 3.030 20 0 EGADRP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000769875308 1303187008 /nfs/dbraw/zinc/18/70/08/1303187008.db2.gz OAJZWAHQXIZTHB-CQSZACIVSA-N 2 0 331.460 3.337 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000886012527 1303318645 /nfs/dbraw/zinc/31/86/45/1303318645.db2.gz JPPYWAVXGFSGRY-IBGZPJMESA-N 2 0 338.536 3.062 20 0 EGADRP C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000886104493 1303355096 /nfs/dbraw/zinc/35/50/96/1303355096.db2.gz DGTRVSGNFRHQRC-HKUYNNGSSA-N 2 0 336.520 3.101 20 0 EGADRP C[C@@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000772951955 1303597301 /nfs/dbraw/zinc/59/73/01/1303597301.db2.gz PUHUSYKKPYZJEB-ZYHUDNBSSA-N 2 0 330.259 3.004 20 0 EGADRP Cc1ncc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000773078372 1303620487 /nfs/dbraw/zinc/62/04/87/1303620487.db2.gz WBEZNMCJUSQXOY-UHFFFAOYSA-N 2 0 329.513 3.291 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000886870332 1303621645 /nfs/dbraw/zinc/62/16/45/1303621645.db2.gz WFZANVMUGSMDDV-SFHVURJKSA-N 2 0 335.879 3.134 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2ccccc2[nH]1 ZINC000775627071 1303996783 /nfs/dbraw/zinc/99/67/83/1303996783.db2.gz GRHIQVRUOSCOME-OAHLLOKOSA-N 2 0 338.455 3.354 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc2ccccc2[nH]1)N1CC[NH+](C)CC1 ZINC000775623260 1303997034 /nfs/dbraw/zinc/99/70/34/1303997034.db2.gz OQARAWRKGDYSTG-OXQOHEQNSA-N 2 0 328.504 3.091 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2ccccc2[nH]1 ZINC000775627070 1303997221 /nfs/dbraw/zinc/99/72/21/1303997221.db2.gz GRHIQVRUOSCOME-HNNXBMFYSA-N 2 0 338.455 3.354 20 0 EGADRP C[C@@H]1C[C@@H](Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000776856210 1304212598 /nfs/dbraw/zinc/21/25/98/1304212598.db2.gz ONOTTWJWGHIGOY-AEFFLSMTSA-N 2 0 330.520 3.112 20 0 EGADRP CC[NH+](CC)CCOc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000777656803 1304331109 /nfs/dbraw/zinc/33/11/09/1304331109.db2.gz LHKKGAZLGDHFCO-WMZOPIPTSA-N 2 0 349.519 3.310 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cn1 ZINC000779517426 1304579714 /nfs/dbraw/zinc/57/97/14/1304579714.db2.gz YTTDGOBNJCYSHR-OAHLLOKOSA-N 2 0 339.830 3.401 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000780285410 1304671658 /nfs/dbraw/zinc/67/16/58/1304671658.db2.gz JJRHGOIZVNNRFP-SVFBPWRDSA-N 2 0 341.543 3.207 20 0 EGADRP c1ccc2c(c1)CC[C@@H]2C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000780290798 1304672960 /nfs/dbraw/zinc/67/29/60/1304672960.db2.gz ZCURNHLDTQAWQC-HXUWFJFHSA-N 2 0 328.500 3.151 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000781921370 1304891239 /nfs/dbraw/zinc/89/12/39/1304891239.db2.gz CGJNBPPDKNFINK-UNMCSNQZSA-N 2 0 336.479 3.339 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781976194 1304898368 /nfs/dbraw/zinc/89/83/68/1304898368.db2.gz NRSOEKMGMHDNSD-MRXNPFEDSA-N 2 0 339.524 3.240 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000782378636 1304965367 /nfs/dbraw/zinc/96/53/67/1304965367.db2.gz JQRFOBPVQADFKT-RBUKOAKNSA-N 2 0 343.496 3.259 20 0 EGADRP C[C@H]1CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000783242762 1305069874 /nfs/dbraw/zinc/06/98/74/1305069874.db2.gz HWGBILPWMIFDQQ-BBRMVZONSA-N 2 0 341.421 3.345 20 0 EGADRP OCCCC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000783599068 1305113573 /nfs/dbraw/zinc/11/35/73/1305113573.db2.gz INYINSIIXXLSGI-UHFFFAOYSA-N 2 0 346.515 3.146 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(Cc3cn(C)nc3C3CC3)C2)CC1 ZINC000891823639 1305179351 /nfs/dbraw/zinc/17/93/51/1305179351.db2.gz WTQLSEGLOGOKMW-QGZVFWFLSA-N 2 0 330.520 3.241 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000892570011 1305445240 /nfs/dbraw/zinc/44/52/40/1305445240.db2.gz GMNQMYSCYHKQAZ-UHFFFAOYSA-N 2 0 337.467 3.370 20 0 EGADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000893167467 1305742701 /nfs/dbraw/zinc/74/27/01/1305742701.db2.gz KXDZZIWKOGEKIO-LBPRGKRZSA-N 2 0 343.284 3.451 20 0 EGADRP C[NH+]1CCC(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)CC1 ZINC000893192341 1305753364 /nfs/dbraw/zinc/75/33/64/1305753364.db2.gz VZSQLMYKLOGGDB-UHFFFAOYSA-N 2 0 345.409 3.189 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000893207510 1305762281 /nfs/dbraw/zinc/76/22/81/1305762281.db2.gz LVZBSCLOXTZDMK-DYESRHJHSA-N 2 0 346.515 3.243 20 0 EGADRP CN(C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000893647672 1306004865 /nfs/dbraw/zinc/00/48/65/1306004865.db2.gz WVONBDUUESTONA-KRWDZBQOSA-N 2 0 343.437 3.240 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]1C ZINC000793001436 1309279536 /nfs/dbraw/zinc/27/95/36/1309279536.db2.gz QMKNNVRFTBREJE-MAQDGTSESA-N 2 0 336.520 3.351 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)C2)cc1 ZINC000793207690 1309317548 /nfs/dbraw/zinc/31/75/48/1309317548.db2.gz RIZXEEAOYNEREL-YRXWBPOGSA-N 2 0 348.581 3.478 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cc(C)nn2C)ccc1OC ZINC000793561615 1309405598 /nfs/dbraw/zinc/40/55/98/1309405598.db2.gz QXQWRLWYSTXLBQ-INIZCTEOSA-N 2 0 344.503 3.430 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895693993 1309469553 /nfs/dbraw/zinc/46/95/53/1309469553.db2.gz OMOOGXYVVMEUMT-VQIMIIECSA-N 2 0 338.499 3.155 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000896870760 1310059999 /nfs/dbraw/zinc/05/99/99/1310059999.db2.gz MDUCEOWBYAFWEZ-NZSAHSFTSA-N 2 0 343.515 3.029 20 0 EGADRP O[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000897539314 1310369150 /nfs/dbraw/zinc/36/91/50/1310369150.db2.gz XRCSPTKSLHRHRU-TZIWHRDSSA-N 2 0 346.515 3.192 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3ncccc3C(F)(F)F)C2)CC1 ZINC000798957095 1310463837 /nfs/dbraw/zinc/46/38/37/1310463837.db2.gz NNUZLKUAOWEEMZ-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000799179098 1310500914 /nfs/dbraw/zinc/50/09/14/1310500914.db2.gz CNEBJHZWNJWHHK-KRWDZBQOSA-N 2 0 340.870 3.320 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ncc(Cl)n2C)C[N@@H+]1Cc1ccccc1 ZINC000799340157 1310529463 /nfs/dbraw/zinc/52/94/63/1310529463.db2.gz GUBBUJVXCHUDAV-NVXWUHKLSA-N 2 0 346.906 3.464 20 0 EGADRP O[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000898204574 1310626414 /nfs/dbraw/zinc/62/64/14/1310626414.db2.gz WSRHGCZETOWMQT-PLACYPQZSA-N 2 0 328.500 3.038 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000839482354 1320927203 /nfs/dbraw/zinc/92/72/03/1320927203.db2.gz ZDMXCXVUICFZDH-UHFFFAOYSA-N 2 0 344.499 3.257 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001018961763 1316988109 /nfs/dbraw/zinc/98/81/09/1316988109.db2.gz RKVHGWVFESKGRQ-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018968096 1316988884 /nfs/dbraw/zinc/98/88/84/1316988884.db2.gz UFBHPSRCRCJFHX-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019279560 1317143707 /nfs/dbraw/zinc/14/37/07/1317143707.db2.gz HWWJHAIAYLPDPW-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000957325657 1317286492 /nfs/dbraw/zinc/28/64/92/1317286492.db2.gz SAPSEIUHQHBZHD-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900530159 1317300236 /nfs/dbraw/zinc/30/02/36/1317300236.db2.gz VSTITPNQFXPILS-UXHICEINSA-N 2 0 343.515 3.114 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517539 1317420273 /nfs/dbraw/zinc/42/02/73/1317420273.db2.gz VPOVIEWTTXWYNZ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC1(C)CCC(C[NH2+][C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001019816409 1317439127 /nfs/dbraw/zinc/43/91/27/1317439127.db2.gz YYAJSJQRCHYOFW-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)CC1 ZINC000957550051 1317446380 /nfs/dbraw/zinc/44/63/80/1317446380.db2.gz HDQQXEBIDARUQM-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560191 1317458030 /nfs/dbraw/zinc/45/80/30/1317458030.db2.gz TZEOZKZYBZAUGR-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621058 1317501328 /nfs/dbraw/zinc/50/13/28/1317501328.db2.gz VPFATGDUPHBPGT-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957644782 1317516533 /nfs/dbraw/zinc/51/65/33/1317516533.db2.gz HVAZFXAUUWRVAT-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)c1ccccc1 ZINC001020174611 1317574562 /nfs/dbraw/zinc/57/45/62/1317574562.db2.gz JDQCRWNJUIVDTG-WKWVNEEDSA-N 2 0 343.515 3.105 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000957744362 1317609644 /nfs/dbraw/zinc/60/96/44/1317609644.db2.gz HAKHFGDPJPYQMK-PXNSSMCTSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020297315 1317633099 /nfs/dbraw/zinc/63/30/99/1317633099.db2.gz HBWJHZAXIJCZJQ-XDKFSHSGSA-N 2 0 349.906 3.122 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957773042 1317637501 /nfs/dbraw/zinc/63/75/01/1317637501.db2.gz WCMMNIZGVBHDQM-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000957786396 1317644786 /nfs/dbraw/zinc/64/47/86/1317644786.db2.gz PRWQGMMJEWMKAJ-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+]1CCC(C)CC1 ZINC000903067499 1317646755 /nfs/dbraw/zinc/64/67/55/1317646755.db2.gz SYTMVVAPRNPDDZ-VCYXJBJXSA-N 2 0 333.564 3.490 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000903071959 1317648386 /nfs/dbraw/zinc/64/83/86/1317648386.db2.gz HBEUJNMFRKKAED-HMZLUNFSSA-N 2 0 339.483 3.380 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000903089866 1317650709 /nfs/dbraw/zinc/65/07/09/1317650709.db2.gz UKPYEANWIZHMBP-HMZLUNFSSA-N 2 0 339.483 3.014 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020339390 1317651929 /nfs/dbraw/zinc/65/19/29/1317651929.db2.gz NKLKQTCYSNLRMX-VAMGGRTRSA-N 2 0 347.547 3.234 20 0 EGADRP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)ccc1OC ZINC000903098081 1317651944 /nfs/dbraw/zinc/65/19/44/1317651944.db2.gz XUGXICYIVJNBMJ-ZNXRZULTSA-N 2 0 330.472 3.341 20 0 EGADRP COc1ccccc1O[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103763 1317652786 /nfs/dbraw/zinc/65/27/86/1317652786.db2.gz OCVILTSHXCTLHH-DUZACMNTSA-N 2 0 330.472 3.210 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c(C)c1 ZINC001020355144 1317657025 /nfs/dbraw/zinc/65/70/25/1317657025.db2.gz OPYNAUOIZWZHOA-WGSAOQKQSA-N 2 0 348.450 3.002 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001020354653 1317657184 /nfs/dbraw/zinc/65/71/84/1317657184.db2.gz AQQOIWRYTOFTCC-XQZJPKQNSA-N 2 0 340.471 3.011 20 0 EGADRP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000903117898 1317657323 /nfs/dbraw/zinc/65/73/23/1317657323.db2.gz NLBAEXUCJXIYFL-IWUPYOBGSA-N 2 0 330.516 3.379 20 0 EGADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000903147268 1317662288 /nfs/dbraw/zinc/66/22/88/1317662288.db2.gz GMKHLQCNOYZRLW-MZGGREPNSA-N 2 0 331.548 3.387 20 0 EGADRP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(F)cc1 ZINC000903172251 1317667535 /nfs/dbraw/zinc/66/75/35/1317667535.db2.gz WGUSZMCHEGMWNA-ZNBHLAFESA-N 2 0 331.479 3.176 20 0 EGADRP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)OCCc2sccc21 ZINC000903171233 1317667958 /nfs/dbraw/zinc/66/79/58/1317667958.db2.gz FTCWLZMOEPVSTL-QGGWKKEGSA-N 2 0 332.513 3.283 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1OCCc2sccc21 ZINC000903174503 1317668215 /nfs/dbraw/zinc/66/82/15/1317668215.db2.gz KLRJYDHLIROOHY-YXLGVNFISA-N 2 0 332.513 3.498 20 0 EGADRP C[C@H](NCc1cc(N(C)C)cc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903198270 1317672176 /nfs/dbraw/zinc/67/21/76/1317672176.db2.gz IEVKZJWZYHNFIN-HKUYNNGSSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cc(N(C)C)cc[nH+]2)CC1 ZINC000903201222 1317673205 /nfs/dbraw/zinc/67/32/05/1317673205.db2.gz GJIRJHKTOZTLOZ-UZLBHIALSA-N 2 0 330.520 3.280 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201253 1317674080 /nfs/dbraw/zinc/67/40/80/1317674080.db2.gz HCGOGNFPCUUUFE-DYESRHJHSA-N 2 0 338.499 3.148 20 0 EGADRP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC000903723583 1317724306 /nfs/dbraw/zinc/72/43/06/1317724306.db2.gz IVQGYXZQXSJQGH-FXAWDEMLSA-N 2 0 346.515 3.107 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)s1 ZINC000903793195 1317735530 /nfs/dbraw/zinc/73/55/30/1317735530.db2.gz POFOWSDDNZVBSN-UHFFFAOYSA-N 2 0 344.480 3.027 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020519720 1317739983 /nfs/dbraw/zinc/73/99/83/1317739983.db2.gz QSUUJNHDWHIKKY-IYARVYRRSA-N 2 0 345.487 3.082 20 0 EGADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000903900111 1317744660 /nfs/dbraw/zinc/74/46/60/1317744660.db2.gz YPUMZZHCMANDDM-QZTJIDSGSA-N 2 0 331.508 3.137 20 0 EGADRP Cc1cnccc1OC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903909678 1317748129 /nfs/dbraw/zinc/74/81/29/1317748129.db2.gz WUTMWMRVLMBPOG-UHFFFAOYSA-N 2 0 337.467 3.079 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H]([NH3+])CC(F)F ZINC000903921104 1317749568 /nfs/dbraw/zinc/74/95/68/1317749568.db2.gz NAUHTVKNFGKBPK-PBHICJAKSA-N 3 0 325.447 3.133 20 0 EGADRP Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ccc1Cl ZINC000903980286 1317760626 /nfs/dbraw/zinc/76/06/26/1317760626.db2.gz NFDNQIRNUKHLBW-HDICACEKSA-N 2 0 333.907 3.049 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000904404698 1317844018 /nfs/dbraw/zinc/84/40/18/1317844018.db2.gz CXLXDGLOWOLSIZ-WMLDXEAASA-N 2 0 338.879 3.069 20 0 EGADRP CCN(C)c1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cn1 ZINC000904459311 1317851014 /nfs/dbraw/zinc/85/10/14/1317851014.db2.gz QLSICIXOWUTABH-UHFFFAOYSA-N 2 0 338.499 3.030 20 0 EGADRP c1ccc2c(c1)C=C(C[NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000904472632 1317851709 /nfs/dbraw/zinc/85/17/09/1317851709.db2.gz NJOBGGQNWQTFTF-KNQAVFIVSA-N 2 0 348.446 3.308 20 0 EGADRP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473341 1317851909 /nfs/dbraw/zinc/85/19/09/1317851909.db2.gz IGTLACUTWODGTN-AZUAARDMSA-N 2 0 326.415 3.480 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)[NH+]1CCCCCC1 ZINC001020675967 1317851946 /nfs/dbraw/zinc/85/19/46/1317851946.db2.gz MSTURLSVGCOOGA-HNJRGHQBSA-N 2 0 343.515 3.249 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001020675966 1317852479 /nfs/dbraw/zinc/85/24/79/1317852479.db2.gz MSTURLSVGCOOGA-HNBVOPMISA-N 2 0 343.515 3.249 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000904657376 1317877474 /nfs/dbraw/zinc/87/74/74/1317877474.db2.gz FJOBUOKPOKJSMH-UHFFFAOYSA-N 2 0 344.503 3.312 20 0 EGADRP C[NH+](C)Cc1ccc(F)c(-c2ccc([C@@]3(O)CCC[NH2+]C3)cc2)c1 ZINC000904806534 1317901964 /nfs/dbraw/zinc/90/19/64/1317901964.db2.gz UJZAPXOJNLBNLH-HXUWFJFHSA-N 2 0 328.431 3.125 20 0 EGADRP CC(C)(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000905068256 1317918061 /nfs/dbraw/zinc/91/80/61/1317918061.db2.gz ZOIUWABAWXLDAI-UHFFFAOYSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)C1 ZINC000905905917 1318016827 /nfs/dbraw/zinc/01/68/27/1318016827.db2.gz HTWRNIDSJNZRIQ-KBXCAEBGSA-N 2 0 326.431 3.024 20 0 EGADRP Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)CC[NH2+]C(C)(C)C ZINC000905932967 1318020093 /nfs/dbraw/zinc/02/00/93/1318020093.db2.gz JJZDGIZTJKRNCB-QGZVFWFLSA-N 2 0 333.520 3.365 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001021051974 1318060316 /nfs/dbraw/zinc/06/03/16/1318060316.db2.gz UCWGJKISUPOBGQ-VDGAXYAQSA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)CCC[NH2+][C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000858345704 1328741702 /nfs/dbraw/zinc/74/17/02/1328741702.db2.gz SJPITDAGHSXJHK-IAGOWNOFSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001021091123 1318078522 /nfs/dbraw/zinc/07/85/22/1318078522.db2.gz RZMLZXAFGSLRBV-PSBWJHGTSA-N 2 0 349.563 3.312 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000906673066 1318136500 /nfs/dbraw/zinc/13/65/00/1318136500.db2.gz PQHTVRBZVGNIFR-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001021435163 1318249927 /nfs/dbraw/zinc/24/99/27/1318249927.db2.gz YTZDBTXTSRNMQC-IPQPSQTFSA-N 2 0 335.536 3.161 20 0 EGADRP Cc1nccn1-c1ncccc1CNc1cc[nH+]c2c(O)cccc12 ZINC000811825039 1318274761 /nfs/dbraw/zinc/27/47/61/1318274761.db2.gz ACWUMFNSOQIHLA-UHFFFAOYSA-N 2 0 331.379 3.442 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960215258 1318416258 /nfs/dbraw/zinc/41/62/58/1318416258.db2.gz GDXGKMBAQBKXAB-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP COC(=O)c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)n(C)c1C ZINC000812756102 1318449816 /nfs/dbraw/zinc/44/98/16/1318449816.db2.gz OSWQRDFONJRPMC-UHFFFAOYSA-N 2 0 347.503 3.007 20 0 EGADRP C[C@H]1C[C@H](CCNc2cc[nH+]c(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000858457919 1328767342 /nfs/dbraw/zinc/76/73/42/1328767342.db2.gz VZLAZWODUATTOB-WMZOPIPTSA-N 2 0 325.456 3.287 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC(C)(C)C)CC[C@@H]32)CC1 ZINC001021666851 1318529214 /nfs/dbraw/zinc/52/92/14/1318529214.db2.gz XLOKJXKOZWOTBX-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001022077019 1318792312 /nfs/dbraw/zinc/79/23/12/1318792312.db2.gz HSKFJPXMEQBNMV-ZRNYENFQSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)c(C)c1)[NH+](C)C ZINC000960714070 1318821670 /nfs/dbraw/zinc/82/16/70/1318821670.db2.gz XIUABOYTRXUSHG-WOJBJXKFSA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022201386 1318840299 /nfs/dbraw/zinc/84/02/99/1318840299.db2.gz HUYMCWOVQIDKNX-OTWHNJEPSA-N 2 0 335.536 3.066 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001022279429 1318872220 /nfs/dbraw/zinc/87/22/20/1318872220.db2.gz XYVYBNYESACPTB-ZGXWSNOMSA-N 2 0 347.547 3.211 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001022278002 1318872399 /nfs/dbraw/zinc/87/23/99/1318872399.db2.gz FFRUWUKKWQSPOZ-YRPNKDGESA-N 2 0 347.547 3.211 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001022279423 1318872960 /nfs/dbraw/zinc/87/29/60/1318872960.db2.gz XYVYBNYESACPTB-WCIQWLHISA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001022293548 1318881100 /nfs/dbraw/zinc/88/11/00/1318881100.db2.gz UZUSYLLAHMYTIG-WSTZPKSXSA-N 2 0 343.515 3.031 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001022293096 1318881153 /nfs/dbraw/zinc/88/11/53/1318881153.db2.gz QSPYOKIMTBKVPB-PNYFIKQUSA-N 2 0 343.515 3.086 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022534589 1318979648 /nfs/dbraw/zinc/97/96/48/1318979648.db2.gz XMNXAJWXAUBNAD-OKZBNKHCSA-N 2 0 343.515 3.167 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022585493 1319004187 /nfs/dbraw/zinc/00/41/87/1319004187.db2.gz PGRNNJFGXRZFMV-SLFFLAALSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N2CCCOC2=O)cc1 ZINC000815553030 1319015045 /nfs/dbraw/zinc/01/50/45/1319015045.db2.gz QDKRNHBHFWEQRF-OAHLLOKOSA-N 2 0 333.476 3.272 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC001022711966 1319079212 /nfs/dbraw/zinc/07/92/12/1319079212.db2.gz HBPJCOGPPBVPPL-MKXGPGLRSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022807262 1319119287 /nfs/dbraw/zinc/11/92/87/1319119287.db2.gz GKTGHPHPDFVWIM-LMCOJAPRSA-N 2 0 343.515 3.247 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023125523 1319274405 /nfs/dbraw/zinc/27/44/05/1319274405.db2.gz RZMLZXAFGSLRBV-PBWTXFEYSA-N 2 0 349.563 3.312 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817573611 1319398615 /nfs/dbraw/zinc/39/86/15/1319398615.db2.gz FYXRDIFLBAIFEM-LBPRGKRZSA-N 2 0 332.311 3.288 20 0 EGADRP CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961270629 1319420775 /nfs/dbraw/zinc/42/07/75/1319420775.db2.gz LOGWRIBXNDEPIG-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000817880458 1319451537 /nfs/dbraw/zinc/45/15/37/1319451537.db2.gz VJAOSYVLTQJDNW-IIDMSEBBSA-N 2 0 325.456 3.084 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000817890801 1319453064 /nfs/dbraw/zinc/45/30/64/1319453064.db2.gz ZJPJBRUXBVVGAH-XLNGHYISSA-N 2 0 342.405 3.249 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817893509 1319453224 /nfs/dbraw/zinc/45/32/24/1319453224.db2.gz GDQHDUFATJOEJU-UWHLTILDSA-N 2 0 346.515 3.408 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000817894572 1319453238 /nfs/dbraw/zinc/45/32/38/1319453238.db2.gz MTIGXGCOICVRPX-VBKZILBWSA-N 2 0 343.471 3.020 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000817890798 1319453389 /nfs/dbraw/zinc/45/33/89/1319453389.db2.gz ZJPJBRUXBVVGAH-MWQQHZPXSA-N 2 0 342.405 3.249 20 0 EGADRP CCOC(=O)N[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC(C)C ZINC000817901027 1319455259 /nfs/dbraw/zinc/45/52/59/1319455259.db2.gz SPXBJAOOLNEGPF-WNRNVDISSA-N 2 0 339.524 3.048 20 0 EGADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817905457 1319456318 /nfs/dbraw/zinc/45/63/18/1319456318.db2.gz NMMDSQIMRLHBSJ-ITKAJJHTSA-N 2 0 330.447 3.186 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961294084 1319456440 /nfs/dbraw/zinc/45/64/40/1319456440.db2.gz SWKQWIFTNLKVKD-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP COc1ccc(C)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817909077 1319458744 /nfs/dbraw/zinc/45/87/44/1319458744.db2.gz XKCQCDWRQHMUCP-NQIIRXRSSA-N 2 0 338.451 3.349 20 0 EGADRP CCC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@@H](O)c1ccccc1 ZINC000817927109 1319463162 /nfs/dbraw/zinc/46/31/62/1319463162.db2.gz FYEROWWIZNGYIF-XPGWFJOJSA-N 2 0 327.472 3.402 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Br)nc1 ZINC000817975549 1319482601 /nfs/dbraw/zinc/48/26/01/1319482601.db2.gz NOYHDAUKSCKWQH-JHJVBQTASA-N 2 0 326.282 3.260 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000817980383 1319484103 /nfs/dbraw/zinc/48/41/03/1319484103.db2.gz AJLJMGFOBPRWSS-TXPKVOOTSA-N 3 0 333.520 3.315 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001023382064 1319490090 /nfs/dbraw/zinc/49/00/90/1319490090.db2.gz XUNGVFLXYZQYEO-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961343988 1319498646 /nfs/dbraw/zinc/49/86/46/1319498646.db2.gz YXTNWVYIAUBZQR-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961364325 1319520830 /nfs/dbraw/zinc/52/08/30/1319520830.db2.gz CHVVIPHSGKKQRK-UXHICEINSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001023446566 1319545461 /nfs/dbraw/zinc/54/54/61/1319545461.db2.gz RXPOOUATZUBHKU-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001023445753 1319546158 /nfs/dbraw/zinc/54/61/58/1319546158.db2.gz AOPSJTLYFHMOQV-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961392971 1319547986 /nfs/dbraw/zinc/54/79/86/1319547986.db2.gz NQORVJFQXMFLKC-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)c1 ZINC000818954419 1319586945 /nfs/dbraw/zinc/58/69/45/1319586945.db2.gz VKNFSVYVLOAJSZ-SFHVURJKSA-N 2 0 336.838 3.364 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000818959952 1319590670 /nfs/dbraw/zinc/59/06/70/1319590670.db2.gz BIBLIENODWJYEO-KHYOSLBOSA-N 2 0 340.458 3.346 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000818960457 1319592533 /nfs/dbraw/zinc/59/25/33/1319592533.db2.gz ZGPYGFSNPYFDQZ-KDOFPFPSSA-N 2 0 326.431 3.242 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000818971659 1319598866 /nfs/dbraw/zinc/59/88/66/1319598866.db2.gz AKLWWOZFLHUHIJ-ZBEGNZNMSA-N 2 0 329.271 3.101 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000818985636 1319604795 /nfs/dbraw/zinc/60/47/95/1319604795.db2.gz UEVZHPZTDHUJNO-GUYCJALGSA-N 2 0 328.859 3.223 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000819102646 1319636249 /nfs/dbraw/zinc/63/62/49/1319636249.db2.gz NLVGBBVZXABOAC-SWLSCSKDSA-N 2 0 343.309 3.048 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819132950 1319642966 /nfs/dbraw/zinc/64/29/66/1319642966.db2.gz JJUIAQMROHVDSU-WOSRLPQWSA-N 2 0 330.394 3.201 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819132953 1319643788 /nfs/dbraw/zinc/64/37/88/1319643788.db2.gz JJUIAQMROHVDSU-ZENOOKHLSA-N 2 0 330.394 3.201 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000819363107 1319710485 /nfs/dbraw/zinc/71/04/85/1319710485.db2.gz UBCZLOQSFRNSFA-INIZCTEOSA-N 2 0 330.394 3.203 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001023749964 1319893726 /nfs/dbraw/zinc/89/37/26/1319893726.db2.gz DLRQTPDUDIFVCO-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761516 1319907600 /nfs/dbraw/zinc/90/76/00/1319907600.db2.gz BPPXTUGPTDCRHC-IEBWSBKVSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@@H](C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC000962385918 1319945277 /nfs/dbraw/zinc/94/52/77/1319945277.db2.gz XCQPNORYUPAMGF-KKXNLOMOSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000820806563 1319954719 /nfs/dbraw/zinc/95/47/19/1319954719.db2.gz KZWVWHYSTKDXGO-MRXNPFEDSA-N 2 0 327.476 3.038 20 0 EGADRP c1ccc(-c2nnc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)o2)cc1 ZINC000820825303 1319963087 /nfs/dbraw/zinc/96/30/87/1319963087.db2.gz ZJUQBJIFKXWVEU-ZNXRZULTSA-N 2 0 338.455 3.027 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[C@H](OC)C2)CC1 ZINC000821401808 1320010999 /nfs/dbraw/zinc/01/09/99/1320010999.db2.gz HFEBIQGIHHKGHW-JQHSSLGASA-N 2 0 349.494 3.186 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000822659366 1320109598 /nfs/dbraw/zinc/10/95/98/1320109598.db2.gz PKDRKISHCRLYDX-IRXDYDNUSA-N 2 0 326.444 3.188 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCCCC1 ZINC000839559038 1320937913 /nfs/dbraw/zinc/93/79/13/1320937913.db2.gz VNNYEIQELABBAW-SFHVURJKSA-N 2 0 343.515 3.277 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c(C)c1 ZINC000841031895 1321204008 /nfs/dbraw/zinc/20/40/08/1321204008.db2.gz ANRUZORRZUHNLW-KRWDZBQOSA-N 2 0 339.483 3.312 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841032076 1321204502 /nfs/dbraw/zinc/20/45/02/1321204502.db2.gz JMEAVVGTGPNLHS-DYESRHJHSA-N 3 0 329.532 3.321 20 0 EGADRP COCC1(C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)CC[NH2+]CC1 ZINC000841068404 1321212818 /nfs/dbraw/zinc/21/28/18/1321212818.db2.gz OCSMROCAWSSQOJ-UHFFFAOYSA-N 2 0 342.430 3.011 20 0 EGADRP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000841080573 1321215506 /nfs/dbraw/zinc/21/55/06/1321215506.db2.gz PBXHRVOISHLMAP-GFCCVEGCSA-N 2 0 338.858 3.249 20 0 EGADRP CC(=O)Nc1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214689 1328948161 /nfs/dbraw/zinc/94/81/61/1328948161.db2.gz MIPGAOSYHBUUDI-UHFFFAOYSA-N 2 0 325.456 3.339 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000842476381 1321394122 /nfs/dbraw/zinc/39/41/22/1321394122.db2.gz NDYJRWFUEYWGGZ-AWEZNQCLSA-N 2 0 332.414 3.448 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055743 1321463275 /nfs/dbraw/zinc/46/32/75/1321463275.db2.gz NHCUMZUGQVTUGK-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccccc1I ZINC000843343397 1321502877 /nfs/dbraw/zinc/50/28/77/1321502877.db2.gz SUKVUVULPRRJCZ-GFCCVEGCSA-N 2 0 346.256 3.461 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CCC([NH3+])CC1 ZINC000843353678 1321504710 /nfs/dbraw/zinc/50/47/10/1321504710.db2.gz JBBCJDIRXYVWNT-UHFFFAOYSA-N 2 0 325.456 3.370 20 0 EGADRP C[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C1CCC([NH3+])CC1 ZINC000843354725 1321505028 /nfs/dbraw/zinc/50/50/28/1321505028.db2.gz FGABXVQDICHGTH-UHFFFAOYSA-N 2 0 342.462 3.202 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843360191 1321506400 /nfs/dbraw/zinc/50/64/00/1321506400.db2.gz FPBJBDSPGHZAEO-AYHJJNSGSA-N 2 0 338.451 3.126 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378130 1321508917 /nfs/dbraw/zinc/50/89/17/1321508917.db2.gz SQTPTHBHLKUGAI-CVEARBPZSA-N 2 0 331.504 3.372 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843387866 1321509957 /nfs/dbraw/zinc/50/99/57/1321509957.db2.gz JJROWOHECYVSFF-SJORKVTESA-N 2 0 340.467 3.177 20 0 EGADRP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843388694 1321510184 /nfs/dbraw/zinc/51/01/84/1321510184.db2.gz WJAPCULVUIHFCA-IAGOWNOFSA-N 2 0 343.515 3.244 20 0 EGADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000843781594 1321547379 /nfs/dbraw/zinc/54/73/79/1321547379.db2.gz XVVYLQXWNLSKER-UHFFFAOYSA-N 2 0 345.531 3.361 20 0 EGADRP CCCN(C(=O)CCCCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844174205 1321576175 /nfs/dbraw/zinc/57/61/75/1321576175.db2.gz PTXZABWLOHLAST-HXUWFJFHSA-N 2 0 345.531 3.409 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000844901526 1321656258 /nfs/dbraw/zinc/65/62/58/1321656258.db2.gz GGMGCZVQJTWFTP-KXBFYZLASA-N 2 0 344.890 3.395 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(N2CCOC2=O)c1 ZINC000844923313 1321658204 /nfs/dbraw/zinc/65/82/04/1321658204.db2.gz HTAZHQHWVZQJFT-ZDUSSCGKSA-N 2 0 343.402 3.092 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000846218898 1321777566 /nfs/dbraw/zinc/77/75/66/1321777566.db2.gz XYSRQKAVTFENSH-UHFFFAOYSA-N 2 0 337.895 3.007 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2nonc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846848948 1321816659 /nfs/dbraw/zinc/81/66/59/1321816659.db2.gz QHWFVKWOZJDJDY-MAUKXSAKSA-N 2 0 336.439 3.223 20 0 EGADRP C[C@@H]1C[C@H](CCNC(=[NH2+])NCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989916 1322056771 /nfs/dbraw/zinc/05/67/71/1322056771.db2.gz LHAFCWKIRXTBSN-APWZRJJASA-N 2 0 328.504 3.201 20 0 EGADRP [NH2+]=C(NCCC[NH+]1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849055090 1322060841 /nfs/dbraw/zinc/06/08/41/1322060841.db2.gz VVUSVVRBDRDQTF-UHFFFAOYSA-N 2 0 344.381 3.397 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000849059580 1322061633 /nfs/dbraw/zinc/06/16/33/1322061633.db2.gz VGFIYGYJKTWTHP-IRXDYDNUSA-N 2 0 346.519 3.067 20 0 EGADRP [NH2+]=C(NCC1CCC1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000849085240 1322072249 /nfs/dbraw/zinc/07/22/49/1322072249.db2.gz IWRQCEPJAZULJX-IBGZPJMESA-N 2 0 328.504 3.203 20 0 EGADRP CC(C)CCNC(=[NH2+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000849085676 1322072947 /nfs/dbraw/zinc/07/29/47/1322072947.db2.gz VKKVGGVLEAJQEW-IBGZPJMESA-N 2 0 330.520 3.449 20 0 EGADRP COc1ccc(NC(=[NH2+])NCC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000849093015 1322075298 /nfs/dbraw/zinc/07/52/98/1322075298.db2.gz FHJUTIVIZJEVRS-UHFFFAOYSA-N 2 0 338.883 3.407 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849116352 1322085108 /nfs/dbraw/zinc/08/51/08/1322085108.db2.gz NCYYXYNSQFBBJS-ZDUSSCGKSA-N 2 0 342.409 3.051 20 0 EGADRP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000850179068 1322202079 /nfs/dbraw/zinc/20/20/79/1322202079.db2.gz SNZNSUQWIKZLNW-UHFFFAOYSA-N 2 0 344.425 3.326 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)ccc1OC ZINC000850513647 1322260105 /nfs/dbraw/zinc/26/01/05/1322260105.db2.gz ALSOKWATZQNEAH-JKSUJKDBSA-N 2 0 334.504 3.349 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000850558815 1322267735 /nfs/dbraw/zinc/26/77/35/1322267735.db2.gz XHBSVPNKWXGVIP-MEDUHNTESA-N 2 0 331.287 3.347 20 0 EGADRP C[C@@H]1Cc2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)ccc2O1 ZINC000921960653 1322430509 /nfs/dbraw/zinc/43/05/09/1322430509.db2.gz IRFNGDFKXMFGOP-MRXNPFEDSA-N 2 0 337.467 3.411 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000922136422 1322463501 /nfs/dbraw/zinc/46/35/01/1322463501.db2.gz WMKFDQPRHAYGHC-IAGOWNOFSA-N 2 0 337.533 3.176 20 0 EGADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC2(CCOCC2)O1 ZINC000922805964 1322622873 /nfs/dbraw/zinc/62/28/73/1322622873.db2.gz BMJXSFHPLRCXMK-IBGZPJMESA-N 2 0 336.520 3.101 20 0 EGADRP C[NH+]1CCC(CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000922832393 1322628776 /nfs/dbraw/zinc/62/87/76/1322628776.db2.gz LHBCMRUOBSTDHR-UHFFFAOYSA-N 2 0 329.488 3.343 20 0 EGADRP Cc1ccccc1-n1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)nn1 ZINC000922844251 1322631105 /nfs/dbraw/zinc/63/11/05/1322631105.db2.gz ALYVONZQVIIMKA-UHFFFAOYSA-N 2 0 339.487 3.072 20 0 EGADRP COc1cc(F)c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1OC ZINC000922845621 1322631744 /nfs/dbraw/zinc/63/17/44/1322631744.db2.gz FNSKKMZFOVNYNC-UHFFFAOYSA-N 2 0 336.451 3.340 20 0 EGADRP O=C(NC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)C1CCCCC1 ZINC000923310168 1322731000 /nfs/dbraw/zinc/73/10/00/1322731000.db2.gz YKJABBYUNOUOOE-XGSMCBPESA-N 2 0 347.547 3.068 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2c(C)oc3ccccc32)CC1 ZINC000924663485 1323101028 /nfs/dbraw/zinc/10/10/28/1323101028.db2.gz VGIVBFLPODJQSX-MRXNPFEDSA-N 2 0 329.488 3.419 20 0 EGADRP CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924842919 1323183775 /nfs/dbraw/zinc/18/37/75/1323183775.db2.gz JDHGSWNFXVXAET-QGZVFWFLSA-N 2 0 345.531 3.436 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924879667 1323197379 /nfs/dbraw/zinc/19/73/79/1323197379.db2.gz OVDCXVVCWZJMNK-QGZVFWFLSA-N 2 0 331.504 3.192 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001024188936 1323200257 /nfs/dbraw/zinc/20/02/57/1323200257.db2.gz SFUNORMAUDSEIZ-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924913959 1323211235 /nfs/dbraw/zinc/21/12/35/1323211235.db2.gz ZHBNDCLKMKGDGX-INIZCTEOSA-N 2 0 334.504 3.066 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000963157791 1323219972 /nfs/dbraw/zinc/21/99/72/1323219972.db2.gz RJHYZJWTKZMQDJ-ACBHZAAOSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1coc2ccccc12 ZINC000924959876 1323228842 /nfs/dbraw/zinc/22/88/42/1323228842.db2.gz PZPIFSLGYBZVRU-MRXNPFEDSA-N 2 0 329.488 3.357 20 0 EGADRP CON1CCC([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000924965714 1323230755 /nfs/dbraw/zinc/23/07/55/1323230755.db2.gz YNUGVHZPBSKJSO-UHFFFAOYSA-N 2 0 331.504 3.034 20 0 EGADRP COc1ccccc1[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccn1 ZINC000924962780 1323231129 /nfs/dbraw/zinc/23/11/29/1323231129.db2.gz GLSGHZGLTLHGQJ-HXUWFJFHSA-N 2 0 325.456 3.111 20 0 EGADRP Cc1ccc2c(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cc(=O)oc2c1 ZINC000852758882 1323238774 /nfs/dbraw/zinc/23/87/74/1323238774.db2.gz GKFJHKFUUWDTOA-CRAIPNDOSA-N 2 0 328.456 3.441 20 0 EGADRP CC1(C)CCC(C[NH2+]C[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001024268741 1323247210 /nfs/dbraw/zinc/24/72/10/1323247210.db2.gz YTXRZOAIPBPMRE-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2cnnc2)c1 ZINC000925085812 1323273242 /nfs/dbraw/zinc/27/32/42/1323273242.db2.gz JPZZCGYDVDWMEV-QAPCUYQASA-N 2 0 329.492 3.284 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccccn1 ZINC000853098659 1323282149 /nfs/dbraw/zinc/28/21/49/1323282149.db2.gz OXHISGLLODHIAC-NRFANRHFSA-N 2 0 339.483 3.281 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024480002 1323432629 /nfs/dbraw/zinc/43/26/29/1323432629.db2.gz WHBNYSMUFJWQPS-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502699 1323450959 /nfs/dbraw/zinc/45/09/59/1323450959.db2.gz QEOFXSSUSTZZRN-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024812624 1323716613 /nfs/dbraw/zinc/71/66/13/1323716613.db2.gz QGFFWXFCYMZDOG-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024963898 1323803449 /nfs/dbraw/zinc/80/34/49/1323803449.db2.gz YWSXACXQZMZOHK-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024978896 1323810992 /nfs/dbraw/zinc/81/09/92/1323810992.db2.gz JCXIBZSCCRZPMG-QZTJIDSGSA-N 2 0 349.544 3.093 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1)C1CC1 ZINC001024985089 1323813286 /nfs/dbraw/zinc/81/32/86/1323813286.db2.gz LIYQCFYJXBAIPK-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001025038453 1323842434 /nfs/dbraw/zinc/84/24/34/1323842434.db2.gz XPLIJEFOQSCSRP-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]2C1 ZINC000931440613 1329118159 /nfs/dbraw/zinc/11/81/59/1329118159.db2.gz YOSCCKDJJQSFOW-UXHICEINSA-N 2 0 337.467 3.044 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025105502 1323898295 /nfs/dbraw/zinc/89/82/95/1323898295.db2.gz WHPAGSOWVNSMTA-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001025168447 1323936861 /nfs/dbraw/zinc/93/68/61/1323936861.db2.gz FRDFQCQKKQAHLF-GOSISDBHSA-N 2 0 349.544 3.095 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001025168805 1323937885 /nfs/dbraw/zinc/93/78/85/1323937885.db2.gz WZUDVOWEPNNTOL-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486180 1329128766 /nfs/dbraw/zinc/12/87/66/1329128766.db2.gz XNTOOEUBAUFVPE-ZDUSSCGKSA-N 2 0 346.393 3.035 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025248098 1324049024 /nfs/dbraw/zinc/04/90/24/1324049024.db2.gz VJZMMESZEPDZPL-RTBURBONSA-N 2 0 347.547 3.260 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470401 1324315370 /nfs/dbraw/zinc/31/53/70/1324315370.db2.gz XCLPCIDQUNDPSF-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514791 1324359173 /nfs/dbraw/zinc/35/91/73/1324359173.db2.gz FVYURBBIZNOVRS-SJORKVTESA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001026298532 1324710495 /nfs/dbraw/zinc/71/04/95/1324710495.db2.gz NPWPOVISIRUYDR-QXAKKESOSA-N 2 0 349.563 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026503681 1324853292 /nfs/dbraw/zinc/85/32/92/1324853292.db2.gz GUEDSUYTJUUQPT-SOAGJPPSSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC3CCC(C)(C)CC3)CC2)C1 ZINC001026605671 1324928166 /nfs/dbraw/zinc/92/81/66/1324928166.db2.gz YAKVBEVAGMNXJM-LMDPOFIKSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001026941192 1325093091 /nfs/dbraw/zinc/09/30/91/1325093091.db2.gz BSLGFCLGALLGBU-SJORKVTESA-N 2 0 348.450 3.147 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963319754 1325105555 /nfs/dbraw/zinc/10/55/55/1325105555.db2.gz UCRVGCQXNBJMJB-ACBHZAAOSA-N 2 0 335.536 3.019 20 0 EGADRP COc1ccc(COCC[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000925294420 1325115987 /nfs/dbraw/zinc/11/59/87/1325115987.db2.gz CNOAVVBSBZWNCE-UHFFFAOYSA-N 2 0 334.504 3.312 20 0 EGADRP COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925421953 1325146038 /nfs/dbraw/zinc/14/60/38/1325146038.db2.gz HBAZCCRWKGBWRK-DNVCBOLYSA-N 2 0 328.456 3.141 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925441055 1325151631 /nfs/dbraw/zinc/15/16/31/1325151631.db2.gz XJWDHAZSEARPSY-QRVBRYPASA-N 3 0 347.547 3.288 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383130 1325184480 /nfs/dbraw/zinc/18/44/80/1325184480.db2.gz MFEUQXLFLAAMLO-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000963386437 1325186270 /nfs/dbraw/zinc/18/62/70/1325186270.db2.gz YEHWIMVTBNFMHS-UHFFFAOYSA-N 2 0 337.533 3.191 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000925523111 1325189749 /nfs/dbraw/zinc/18/97/49/1325189749.db2.gz WPLZIJZGTGKEIL-WPOXQQAKSA-N 3 0 327.516 3.004 20 0 EGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925528488 1325191981 /nfs/dbraw/zinc/19/19/81/1325191981.db2.gz VBTGUKSLZHBCEV-LHDAKERMSA-N 2 0 326.484 3.049 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925565005 1325212106 /nfs/dbraw/zinc/21/21/06/1325212106.db2.gz XGUCYSQBJRWZFZ-FQEVSTJZSA-N 2 0 327.516 3.224 20 0 EGADRP CCCOc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000925579424 1325218202 /nfs/dbraw/zinc/21/82/02/1325218202.db2.gz FOMNWYYPPLYKQR-IHWFROFDSA-N 2 0 346.515 3.249 20 0 EGADRP CC(=O)Nc1cccc(OCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925591094 1325223749 /nfs/dbraw/zinc/22/37/49/1325223749.db2.gz OGSXUZHTBHHLMX-FQEVSTJZSA-N 2 0 341.455 3.094 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001027104005 1325229312 /nfs/dbraw/zinc/22/93/12/1325229312.db2.gz KHBLHWVYOMYBSD-AZUAARDMSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426409 1325234194 /nfs/dbraw/zinc/23/41/94/1325234194.db2.gz AHQLDONPQMVHTN-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631700 1325239148 /nfs/dbraw/zinc/23/91/48/1325239148.db2.gz WPLRNXPEPGPXTD-YENGBRFLSA-N 2 0 339.886 3.202 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000925642849 1325244474 /nfs/dbraw/zinc/24/44/74/1325244474.db2.gz HFZZUGASMCSIBK-QGZVFWFLSA-N 2 0 343.437 3.331 20 0 EGADRP C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925651422 1325247732 /nfs/dbraw/zinc/24/77/32/1325247732.db2.gz CIKDUROQJBUZSV-OAHLLOKOSA-N 2 0 347.503 3.266 20 0 EGADRP Cc1ccc(C[C@@H](CO)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1C ZINC000925697688 1325263365 /nfs/dbraw/zinc/26/33/65/1325263365.db2.gz ZQPYGTYJQJBWGQ-LEWJYISDSA-N 2 0 326.484 3.277 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027163286 1325263433 /nfs/dbraw/zinc/26/34/33/1325263433.db2.gz BKROJSBIJIQPSE-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000926153739 1325450186 /nfs/dbraw/zinc/45/01/86/1325450186.db2.gz DOBABRAMRNZORI-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]C(C)C)CC1 ZINC000964153837 1325483449 /nfs/dbraw/zinc/48/34/49/1325483449.db2.gz RIPMFNMSBNLZCL-CTWPCTMYSA-N 2 0 337.552 3.409 20 0 EGADRP CC(C)C[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000964169271 1325485095 /nfs/dbraw/zinc/48/50/95/1325485095.db2.gz WOFDIEZTMKFNSG-UHFFFAOYSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333146 1325491044 /nfs/dbraw/zinc/49/10/44/1325491044.db2.gz VHTKOBBOGWQLDR-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857120955 1325575209 /nfs/dbraw/zinc/57/52/09/1325575209.db2.gz QIIRYTAIXWTQLZ-WOJBJXKFSA-N 2 0 343.515 3.100 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C[C@@H]1C ZINC000857165767 1325586559 /nfs/dbraw/zinc/58/65/59/1325586559.db2.gz AVOWEPNZRHGHJY-ABSDTBQOSA-N 2 0 343.515 3.051 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027409589 1327636719 /nfs/dbraw/zinc/63/67/19/1327636719.db2.gz LJMWLUBVXFFDBG-MSOLQXFVSA-N 2 0 349.544 3.044 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001027417526 1327642972 /nfs/dbraw/zinc/64/29/72/1327642972.db2.gz ALUXOIQKYUEPOW-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP COc1ccnc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000926693269 1327669601 /nfs/dbraw/zinc/66/96/01/1327669601.db2.gz LJEDJUHGXHLWIT-MRXNPFEDSA-N 2 0 340.471 3.048 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449411 1327689837 /nfs/dbraw/zinc/68/98/37/1327689837.db2.gz ZYVQMNVZACDCLF-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447934 1327690981 /nfs/dbraw/zinc/69/09/81/1327690981.db2.gz BUODASWRYXMFHI-ROUUACIJSA-N 2 0 349.544 3.045 20 0 EGADRP O=c1[nH]cccc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926772079 1327709294 /nfs/dbraw/zinc/70/92/94/1327709294.db2.gz FUKVHZPYSKKUFW-IHWFROFDSA-N 2 0 337.467 3.463 20 0 EGADRP C[N@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027466843 1327721235 /nfs/dbraw/zinc/72/12/35/1327721235.db2.gz YHHBGJKXGBXBCE-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492054 1327752798 /nfs/dbraw/zinc/75/27/98/1327752798.db2.gz GHSNVQFJBTYTOA-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000927036431 1327826423 /nfs/dbraw/zinc/82/64/23/1327826423.db2.gz BZLDZOOURQPTIV-PPDQVPDSSA-N 2 0 339.487 3.325 20 0 EGADRP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000927100566 1327862917 /nfs/dbraw/zinc/86/29/17/1327862917.db2.gz YPPDPNHUKGOZJS-HNNXBMFYSA-N 2 0 342.487 3.089 20 0 EGADRP C[N@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556123 1327864133 /nfs/dbraw/zinc/86/41/33/1327864133.db2.gz XLUAWTAKHZAHKW-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCn1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000865508972 1329707256 /nfs/dbraw/zinc/70/72/56/1329707256.db2.gz IVHHRDPRDPPCNA-PKOBYXMFSA-N 2 0 341.503 3.078 20 0 EGADRP Cn1ncc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000865717773 1329732246 /nfs/dbraw/zinc/73/22/46/1329732246.db2.gz KRWYPCYHRZMRGS-UHFFFAOYSA-N 2 0 346.906 3.465 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000866260996 1330086728 /nfs/dbraw/zinc/08/67/28/1330086728.db2.gz YLWRSSUBRLTJTA-UZLBHIALSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)CC1(C)OCCO1 ZINC000866424194 1330110156 /nfs/dbraw/zinc/11/01/56/1330110156.db2.gz DINBPZMVLLANGT-LNLFQRSKSA-N 2 0 338.536 3.408 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942172693 1331860187 /nfs/dbraw/zinc/86/01/87/1331860187.db2.gz MBHOJSPFNCHITD-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821118 1332042175 /nfs/dbraw/zinc/04/21/75/1332042175.db2.gz BSXIIMKUCUXFOA-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CC2=CCCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943331991 1332150661 /nfs/dbraw/zinc/15/06/61/1332150661.db2.gz BEIFMBZMSUJRCY-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945338327 1332561012 /nfs/dbraw/zinc/56/10/12/1332561012.db2.gz ZYAGRJZYMHVUKL-SJLPKXTDSA-N 2 0 349.519 3.362 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631412 1332866356 /nfs/dbraw/zinc/86/63/56/1332866356.db2.gz GDMSKDLNVKEZCC-YSTOQKLRSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807915 1332904814 /nfs/dbraw/zinc/90/48/14/1332904814.db2.gz GMCSKKNHYPIHBG-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC000947310272 1333084549 /nfs/dbraw/zinc/08/45/49/1333084549.db2.gz ONEZUAUPXZYCJB-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC(C)(C)C ZINC000947494349 1333146502 /nfs/dbraw/zinc/14/65/02/1333146502.db2.gz XYNVJHCDRCIBOW-IRXDYDNUSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cncn1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947548389 1333168006 /nfs/dbraw/zinc/16/80/06/1333168006.db2.gz ZBVDUUGRPHQDQP-VQIMIIECSA-N 2 0 346.519 3.131 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CC1CCCC1 ZINC000947552255 1333169421 /nfs/dbraw/zinc/16/94/21/1333169421.db2.gz SWAFSGGXGZSWSE-CRAIPNDOSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1=CCCCC1 ZINC000947726786 1333241850 /nfs/dbraw/zinc/24/18/50/1333241850.db2.gz SDBRYNDSVMCEJF-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000947775675 1333257848 /nfs/dbraw/zinc/25/78/48/1333257848.db2.gz PFJGMIUGZBCYRT-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCC1 ZINC000948038766 1333349427 /nfs/dbraw/zinc/34/94/27/1333349427.db2.gz BGFFDHHTLSWGKX-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948243659 1333439108 /nfs/dbraw/zinc/43/91/08/1333439108.db2.gz BSLGBTZJWAWNKD-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948365535 1333496163 /nfs/dbraw/zinc/49/61/63/1333496163.db2.gz QEUBIDGZHBUANC-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374317 1333500482 /nfs/dbraw/zinc/50/04/82/1333500482.db2.gz UYBGLIUIRVUTSH-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCC(C)C)CC2)CC[N@@H+]1C ZINC000948389191 1333505028 /nfs/dbraw/zinc/50/50/28/1333505028.db2.gz PDNCJPSUMZBEDS-GBESFXJTSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948436008 1333523870 /nfs/dbraw/zinc/52/38/70/1333523870.db2.gz RSQKNKHKFNFEBL-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948439972 1333526280 /nfs/dbraw/zinc/52/62/80/1333526280.db2.gz XWGFNWJPZZRFRC-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000948620041 1333599907 /nfs/dbraw/zinc/59/99/07/1333599907.db2.gz BDCXSXHKQMHYOQ-XOYTVWKISA-N 2 0 346.862 3.013 20 0 EGADRP CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948706047 1333641278 /nfs/dbraw/zinc/64/12/78/1333641278.db2.gz SOPRZIDDITZZMT-HKUYNNGSSA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC000948711382 1333643044 /nfs/dbraw/zinc/64/30/44/1333643044.db2.gz PACCPVOXRFPKGN-WOJBJXKFSA-N 2 0 349.563 3.388 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948743507 1333655546 /nfs/dbraw/zinc/65/55/46/1333655546.db2.gz WDYRULHEUJVHQL-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000948829630 1333702160 /nfs/dbraw/zinc/70/21/60/1333702160.db2.gz SANNBRMJYZSQMD-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000948886561 1333719401 /nfs/dbraw/zinc/71/94/01/1333719401.db2.gz OOKHPPSWUSFUGR-GOSISDBHSA-N 2 0 346.519 3.236 20 0 EGADRP CN(C(=O)Cc1ncc[nH]1)[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948887404 1333719622 /nfs/dbraw/zinc/71/96/22/1333719622.db2.gz YSJIJJYFLFPRKC-SFHVURJKSA-N 2 0 346.519 3.236 20 0 EGADRP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950331513 1334043479 /nfs/dbraw/zinc/04/34/79/1334043479.db2.gz PYMDMNLFDGDKFZ-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CC3CCCCC3)C2)C1 ZINC000951214238 1334209781 /nfs/dbraw/zinc/20/97/81/1334209781.db2.gz GJUHAVCYCRDCIR-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968193996 1335869305 /nfs/dbraw/zinc/86/93/05/1335869305.db2.gz XLWUZORAAZKTCN-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[N@H+](CC3=CCCCC3)CC[C@H]2C)CC1 ZINC000968460246 1335932406 /nfs/dbraw/zinc/93/24/06/1335932406.db2.gz RKUMNVGZHGEDKE-QUCCMNQESA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968850411 1336067398 /nfs/dbraw/zinc/06/73/98/1336067398.db2.gz YAMSNGZKVZKCIF-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@H+]1C/C=C\Cl)c1ccn2c[nH+]cc2c1 ZINC000968936593 1336096603 /nfs/dbraw/zinc/09/66/03/1336096603.db2.gz LWQKPCKNHYWKLA-HQQUCIOCSA-N 2 0 346.862 3.061 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCCC2CCCC2)C1 ZINC000969144828 1336160947 /nfs/dbraw/zinc/16/09/47/1336160947.db2.gz UUQUSHZRFQTVDF-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156516 1336165657 /nfs/dbraw/zinc/16/56/57/1336165657.db2.gz VHGBTGSRPJNTFY-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000969353338 1336202363 /nfs/dbraw/zinc/20/23/63/1336202363.db2.gz RQMBKPXKJOASLU-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000969674370 1336235802 /nfs/dbraw/zinc/23/58/02/1336235802.db2.gz JRIGSECWZHVAKF-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC000969706747 1336238612 /nfs/dbraw/zinc/23/86/12/1336238612.db2.gz OYTJWIQKFPGDFP-FFZOFVMBSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969794715 1336248121 /nfs/dbraw/zinc/24/81/21/1336248121.db2.gz ZKRJOKHLWGIOJP-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000969829274 1336251892 /nfs/dbraw/zinc/25/18/92/1336251892.db2.gz BJKYJHMFOGEOCP-OXJNMPFZSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC000970382333 1336301291 /nfs/dbraw/zinc/30/12/91/1336301291.db2.gz AGYMYOAQYIWDFD-FXAWDEMLSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC000970718983 1336335526 /nfs/dbraw/zinc/33/55/26/1336335526.db2.gz NWCOPBDRMRXPLP-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001006440998 1336506307 /nfs/dbraw/zinc/50/63/07/1336506307.db2.gz ANDHWXMXFGGZHH-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H](F)CC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006439719 1336506319 /nfs/dbraw/zinc/50/63/19/1336506319.db2.gz QSPCKWRYHQSTGR-INIZCTEOSA-N 2 0 349.494 3.033 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001006443435 1336506970 /nfs/dbraw/zinc/50/69/70/1336506970.db2.gz DRGUGNRODKZSRH-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007497473 1336657881 /nfs/dbraw/zinc/65/78/81/1336657881.db2.gz COJCVJITIYAWSR-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001007649650 1336683734 /nfs/dbraw/zinc/68/37/34/1336683734.db2.gz WMPMHPFBKBRVEY-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007746684 1336693581 /nfs/dbraw/zinc/69/35/81/1336693581.db2.gz NZXIYTNNHVQTKQ-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007947434 1336737432 /nfs/dbraw/zinc/73/74/32/1336737432.db2.gz GEZAYAVYLCVHCP-QFBILLFUSA-N 2 0 348.450 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001008274271 1336811480 /nfs/dbraw/zinc/81/14/80/1336811480.db2.gz FZOOGOQRWHYEFQ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009052978 1336960895 /nfs/dbraw/zinc/96/08/95/1336960895.db2.gz VXHUBGIEJCKABL-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001009197256 1336985338 /nfs/dbraw/zinc/98/53/38/1336985338.db2.gz BVVSLZYYHZCMPG-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204104 1336985808 /nfs/dbraw/zinc/98/58/08/1336985808.db2.gz UFHBKPVAZSPMIW-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001009537520 1337035035 /nfs/dbraw/zinc/03/50/35/1337035035.db2.gz NKVFBKHKLRQXJU-RBUKOAKNSA-N 2 0 343.515 3.041 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001009631353 1337049321 /nfs/dbraw/zinc/04/93/21/1337049321.db2.gz AZRXDDMSSQPRNO-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001009639621 1337050860 /nfs/dbraw/zinc/05/08/60/1337050860.db2.gz YSPWGKBEXWIJAU-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433444 1337776594 /nfs/dbraw/zinc/77/65/94/1337776594.db2.gz KJNWBGQKHRPCQV-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434474 1337777288 /nfs/dbraw/zinc/77/72/88/1337777288.db2.gz MJRMGJFTPKLFMK-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001014706752 1337877149 /nfs/dbraw/zinc/87/71/49/1337877149.db2.gz ROMQQMRWDNMOJV-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001015499127 1338160185 /nfs/dbraw/zinc/16/01/85/1338160185.db2.gz NXEJSOAKVFOESB-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001015614954 1338208545 /nfs/dbraw/zinc/20/85/45/1338208545.db2.gz HTSVBZPWOQXGOQ-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001015794644 1338314069 /nfs/dbraw/zinc/31/40/69/1338314069.db2.gz IPGYJVUAGOBMFE-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001015794855 1338314363 /nfs/dbraw/zinc/31/43/63/1338314363.db2.gz JOPXRDVHMSFOIG-AEFFLSMTSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015796223 1338315551 /nfs/dbraw/zinc/31/55/51/1338315551.db2.gz WCTCWYIXBQYSIT-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001015971353 1338384035 /nfs/dbraw/zinc/38/40/35/1338384035.db2.gz AFICCRPQVWLRCY-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001016544406 1338640374 /nfs/dbraw/zinc/64/03/74/1338640374.db2.gz WMBGCHMSWJDRPF-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702135 1338695926 /nfs/dbraw/zinc/69/59/26/1338695926.db2.gz LBHDCSNXKFSZRZ-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001017122076 1338879730 /nfs/dbraw/zinc/87/97/30/1338879730.db2.gz YYXIMKLRERMPSZ-GOSISDBHSA-N 2 0 344.503 3.013 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017139192 1338891650 /nfs/dbraw/zinc/89/16/50/1338891650.db2.gz SVAVRGGYUJTXIH-INIZCTEOSA-N 2 0 349.544 3.004 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001017146762 1338896671 /nfs/dbraw/zinc/89/66/71/1338896671.db2.gz RHZHVDKIRVIOGU-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017706967 1339395845 /nfs/dbraw/zinc/39/58/45/1339395845.db2.gz YHVIXAJQQQHIJG-CALCHBBNSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001028181282 1340472090 /nfs/dbraw/zinc/47/20/90/1340472090.db2.gz QFRIEQGNODKRBT-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC=C(C)C ZINC001028251651 1340513035 /nfs/dbraw/zinc/51/30/35/1340513035.db2.gz IUXOFOICUTZGQP-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028333510 1340571241 /nfs/dbraw/zinc/57/12/41/1340571241.db2.gz MNLLHUGMBRUXGG-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001028335172 1340572934 /nfs/dbraw/zinc/57/29/34/1340572934.db2.gz OZWGJVWHESSEOR-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028579546 1340712551 /nfs/dbraw/zinc/71/25/51/1340712551.db2.gz GVJXYJVDILSPQK-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028646806 1340742592 /nfs/dbraw/zinc/74/25/92/1340742592.db2.gz AUNBHFAGRJKYNG-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001028902475 1340879192 /nfs/dbraw/zinc/87/91/92/1340879192.db2.gz WQPQLVUNAJLZNG-LJQANCHMSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001029003251 1340905346 /nfs/dbraw/zinc/90/53/46/1340905346.db2.gz JRSLDZOMJJUCCM-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001029108405 1340931692 /nfs/dbraw/zinc/93/16/92/1340931692.db2.gz HLVKODTUSSRUDQ-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1)[NH+]1CCCC1 ZINC001029173605 1340948534 /nfs/dbraw/zinc/94/85/34/1340948534.db2.gz SMLMQXDCYKVFOA-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CCC(C)CC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001029173954 1340948690 /nfs/dbraw/zinc/94/86/90/1340948690.db2.gz UBGRRFWRZCUCLC-JLAWEPINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029306284 1340969793 /nfs/dbraw/zinc/96/97/93/1340969793.db2.gz OKWQIKTZLXROJQ-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001029503022 1341002594 /nfs/dbraw/zinc/00/25/94/1341002594.db2.gz HAKHJVGHTZEVHJ-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029598537 1341019137 /nfs/dbraw/zinc/01/91/37/1341019137.db2.gz IVDUNVRJLWRTNY-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029598538 1341019166 /nfs/dbraw/zinc/01/91/66/1341019166.db2.gz IVDUNVRJLWRTNY-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029771188 1341069211 /nfs/dbraw/zinc/06/92/11/1341069211.db2.gz BOJZHUPNWQCEFS-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029861546 1341099003 /nfs/dbraw/zinc/09/90/03/1341099003.db2.gz PPSBFUYPVCOQMW-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001029910431 1341113870 /nfs/dbraw/zinc/11/38/70/1341113870.db2.gz LBKMBLWVXKIBHO-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001029972323 1341139483 /nfs/dbraw/zinc/13/94/83/1341139483.db2.gz HNRCTDICNUNQPO-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850050 1341411108 /nfs/dbraw/zinc/41/11/08/1341411108.db2.gz NFIAKJHJUNSNDM-MRXNPFEDSA-N 2 0 348.450 3.066 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001031851107 1341411478 /nfs/dbraw/zinc/41/14/78/1341411478.db2.gz YYRDEQZRECMPFQ-MRXNPFEDSA-N 2 0 348.450 3.066 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033125450 1341733181 /nfs/dbraw/zinc/73/31/81/1341733181.db2.gz DYTZKJCITCSSAG-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144674 1341738540 /nfs/dbraw/zinc/73/85/40/1341738540.db2.gz ACYLNSCIILJZMP-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366434 1341797861 /nfs/dbraw/zinc/79/78/61/1341797861.db2.gz XJZCIYOYPPIRGO-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395361 1341812043 /nfs/dbraw/zinc/81/20/43/1341812043.db2.gz IDXPHHIKYANNMT-VQTJNVASSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001033466278 1341836824 /nfs/dbraw/zinc/83/68/24/1341836824.db2.gz CVHNESUQDLBTEO-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033472227 1341839802 /nfs/dbraw/zinc/83/98/02/1341839802.db2.gz UOYUAZZQGZTJMK-MSOLQXFVSA-N 2 0 337.552 3.218 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033504381 1341849707 /nfs/dbraw/zinc/84/97/07/1341849707.db2.gz HCXCFMOBZFEKOQ-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033680706 1341947483 /nfs/dbraw/zinc/94/74/83/1341947483.db2.gz MKHFOSHRBOTDNB-IBGZPJMESA-N 2 0 343.515 3.085 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033825141 1342026556 /nfs/dbraw/zinc/02/65/56/1342026556.db2.gz AQOSHLBKFWAMIR-MSOLQXFVSA-N 2 0 349.544 3.044 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001033837434 1342035622 /nfs/dbraw/zinc/03/56/22/1342035622.db2.gz HWJUTEGJAVABEC-FGTMMUONSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033990215 1342133487 /nfs/dbraw/zinc/13/34/87/1342133487.db2.gz SOUYVPDLDJXJQG-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001034004448 1342142389 /nfs/dbraw/zinc/14/23/89/1342142389.db2.gz NLEYSBNGGSJWBY-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001034129847 1342259492 /nfs/dbraw/zinc/25/94/92/1342259492.db2.gz DLPRVUTWEHUBGI-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCCC2)C1 ZINC001034130536 1342259923 /nfs/dbraw/zinc/25/99/23/1342259923.db2.gz IGEHBUXFIGDXFR-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211054 1342320981 /nfs/dbraw/zinc/32/09/81/1342320981.db2.gz LEURAWQOVFDIHX-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034250295 1342346364 /nfs/dbraw/zinc/34/63/64/1342346364.db2.gz PMDQABXZUAZQRT-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034248565 1342346836 /nfs/dbraw/zinc/34/68/36/1342346836.db2.gz DLZQCVRBTLKBCU-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034250294 1342347043 /nfs/dbraw/zinc/34/70/43/1342347043.db2.gz PMDQABXZUAZQRT-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001034366669 1342436536 /nfs/dbraw/zinc/43/65/36/1342436536.db2.gz CHFMSJLRYIXYPF-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001034370993 1342440257 /nfs/dbraw/zinc/44/02/57/1342440257.db2.gz PUBSVVUKPJRPKW-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034436719 1342499689 /nfs/dbraw/zinc/49/96/89/1342499689.db2.gz BIDAUIVKDILVGI-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034440019 1342501901 /nfs/dbraw/zinc/50/19/01/1342501901.db2.gz YIQYHGDKRVESOM-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034463981 1342519351 /nfs/dbraw/zinc/51/93/51/1342519351.db2.gz WFSXQGWWCXJZQF-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474541 1342529694 /nfs/dbraw/zinc/52/96/94/1342529694.db2.gz LQXYNXYMDUWBJI-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034480043 1342536466 /nfs/dbraw/zinc/53/64/66/1342536466.db2.gz DYHAMGTZTHJUIL-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034487615 1342546147 /nfs/dbraw/zinc/54/61/47/1342546147.db2.gz PKEIEDAKNJRUFF-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538042 1342594567 /nfs/dbraw/zinc/59/45/67/1342594567.db2.gz PYSCOFKHPDOAQJ-RBUKOAKNSA-N 2 0 349.494 3.081 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CC3CC3)C2)o1 ZINC001034545707 1342608475 /nfs/dbraw/zinc/60/84/75/1342608475.db2.gz WBZVNXOWUVTLEY-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034659674 1342675877 /nfs/dbraw/zinc/67/58/77/1342675877.db2.gz XHILLLOFBCUXRJ-FHWLQOOXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034662376 1342677442 /nfs/dbraw/zinc/67/74/42/1342677442.db2.gz GJHLVGPLJXKONS-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001034680484 1342689758 /nfs/dbraw/zinc/68/97/58/1342689758.db2.gz KATNHPFIHAOANO-IYARVYRRSA-N 2 0 340.471 3.155 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)C1 ZINC001034733865 1342728229 /nfs/dbraw/zinc/72/82/29/1342728229.db2.gz FZGIXSPLQXVLKF-MISYRCLQSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCC3)CC2)CC1 ZINC001034747369 1342735488 /nfs/dbraw/zinc/73/54/88/1342735488.db2.gz AKQSCRQHCGCTNZ-MXVIHJGJSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034749261 1342737436 /nfs/dbraw/zinc/73/74/36/1342737436.db2.gz JQOGCEHJSPSHMP-UFYCRDLUSA-N 2 0 349.563 3.457 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034792101 1342761261 /nfs/dbraw/zinc/76/12/61/1342761261.db2.gz FALNBQNOYOZYOZ-RDGPPVDQSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001034958268 1342852994 /nfs/dbraw/zinc/85/29/94/1342852994.db2.gz FSZSHJGKOLGTOV-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001035039794 1342892539 /nfs/dbraw/zinc/89/25/39/1342892539.db2.gz LQJNDXLIBQIKHQ-QWFCFKBJSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035073587 1342912388 /nfs/dbraw/zinc/91/23/88/1342912388.db2.gz SOEUCFUJSRTUBZ-QFBILLFUSA-N 2 0 346.519 3.139 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184616 1342999602 /nfs/dbraw/zinc/99/96/02/1342999602.db2.gz FQFNUADDGXIFIQ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035198851 1343012425 /nfs/dbraw/zinc/01/24/25/1343012425.db2.gz AOJWSZMROFNFFG-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035198850 1343012867 /nfs/dbraw/zinc/01/28/67/1343012867.db2.gz AOJWSZMROFNFFG-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)CC2 ZINC001035200599 1343013385 /nfs/dbraw/zinc/01/33/85/1343013385.db2.gz CLEAQTQOOQGUCL-UHFFFAOYSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035826901 1343217169 /nfs/dbraw/zinc/21/71/69/1343217169.db2.gz XJIUADJRIZTJBT-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)[C@H](C)C2)CC1 ZINC001036242691 1343374482 /nfs/dbraw/zinc/37/44/82/1343374482.db2.gz WUECJYJPQWSOOJ-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036312268 1343413461 /nfs/dbraw/zinc/41/34/61/1343413461.db2.gz STBWMZRFPSUJMM-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001036418897 1343474970 /nfs/dbraw/zinc/47/49/70/1343474970.db2.gz GVMSYKUUGCVBSW-IAGOWNOFSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793944 1343726791 /nfs/dbraw/zinc/72/67/91/1343726791.db2.gz NDPIOGCBTXRUEX-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842080 1343781137 /nfs/dbraw/zinc/78/11/37/1343781137.db2.gz JXHVUFWBPCHSBR-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904503 1343851533 /nfs/dbraw/zinc/85/15/33/1343851533.db2.gz SQZNGLFGGSFDAD-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001037280947 1344071918 /nfs/dbraw/zinc/07/19/18/1344071918.db2.gz YOWDNPJDXXYOFT-RBUKOAKNSA-N 2 0 331.504 3.035 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1[NH2+]C(C)C ZINC001037991999 1344224829 /nfs/dbraw/zinc/22/48/29/1344224829.db2.gz SLQBJBLMGQZHKV-WMZOPIPTSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038341248 1344388204 /nfs/dbraw/zinc/38/82/04/1344388204.db2.gz QFUSTAJDOVLRLX-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038706247 1344548100 /nfs/dbraw/zinc/54/81/00/1344548100.db2.gz SOBJVYYPAPMIQE-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038780502 1344581733 /nfs/dbraw/zinc/58/17/33/1344581733.db2.gz LKQRMULBSFVBBD-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038782914 1344582038 /nfs/dbraw/zinc/58/20/38/1344582038.db2.gz VOLUPZGBRIRNLG-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001039046655 1344733211 /nfs/dbraw/zinc/73/32/11/1344733211.db2.gz AKLBMDQHWCFCCB-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039386996 1345039851 /nfs/dbraw/zinc/03/98/51/1345039851.db2.gz NNKSHFQRKKNSLV-AQNXPRMDSA-N 2 0 347.547 3.281 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473980 1345088676 /nfs/dbraw/zinc/08/86/76/1345088676.db2.gz LJSDOXOOTQVJGJ-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CC(C)C2)CC1)[NH+](C)C ZINC001039489458 1345108360 /nfs/dbraw/zinc/10/83/60/1345108360.db2.gz YHSUWTIWDDCTEW-NLPFYKDJSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC001130200638 1373473686 /nfs/dbraw/zinc/47/36/86/1373473686.db2.gz MBJZFVIGQHWUPD-IAQYHMDHSA-N 2 0 346.302 3.100 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040227650 1345385297 /nfs/dbraw/zinc/38/52/97/1345385297.db2.gz HYKHOMGVNBEOOO-LJQANCHMSA-N 2 0 349.544 3.146 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2)[NH+](C)C ZINC001040251370 1345395971 /nfs/dbraw/zinc/39/59/71/1345395971.db2.gz XLLKUBGULWTJRW-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295484 1345417855 /nfs/dbraw/zinc/41/78/55/1345417855.db2.gz GEQARRYXCYIJNX-HXUWFJFHSA-N 2 0 340.471 3.063 20 0 EGADRP CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001040349726 1345447821 /nfs/dbraw/zinc/44/78/21/1345447821.db2.gz IXNULSIGODTCLL-FPOVZHCZSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432249 1345494663 /nfs/dbraw/zinc/49/46/63/1345494663.db2.gz NLAMWOCROZDPRG-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040699554 1345567149 /nfs/dbraw/zinc/56/71/49/1345567149.db2.gz AZYGBZFJNMVUGJ-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875051 1345592020 /nfs/dbraw/zinc/59/20/20/1345592020.db2.gz QHQIUVLIAYYLBT-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756417 1345840985 /nfs/dbraw/zinc/84/09/85/1345840985.db2.gz HOEVAFKLQDVGMP-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042124603 1345950510 /nfs/dbraw/zinc/95/05/10/1345950510.db2.gz IQTGSUMYTAYYOH-HKUYNNGSSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186111 1345973269 /nfs/dbraw/zinc/97/32/69/1345973269.db2.gz CZYNEAFHARWHNE-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1C[NH+](CC2CCCCCC2)C1 ZINC001043232445 1346156033 /nfs/dbraw/zinc/15/60/33/1346156033.db2.gz GIRQGKXNOJGEGK-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630352 1346387600 /nfs/dbraw/zinc/38/76/00/1346387600.db2.gz VURIZRPUFLZGAV-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044745398 1346418915 /nfs/dbraw/zinc/41/89/15/1346418915.db2.gz VIECIOFMBKMCPK-PXNSSMCTSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045229599 1346536352 /nfs/dbraw/zinc/53/63/52/1346536352.db2.gz RBKUJECRYPVPKV-ROUUACIJSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045229600 1346536469 /nfs/dbraw/zinc/53/64/69/1346536469.db2.gz RBKUJECRYPVPKV-ZWKOTPCHSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001045438130 1346594262 /nfs/dbraw/zinc/59/42/62/1346594262.db2.gz JZLMDRDMVLVUPF-SFHVURJKSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045474847 1346602513 /nfs/dbraw/zinc/60/25/13/1346602513.db2.gz BTVSYENUTAEWDH-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045529319 1346618618 /nfs/dbraw/zinc/61/86/18/1346618618.db2.gz PUOBJKXVNNTGCG-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045640381 1346656038 /nfs/dbraw/zinc/65/60/38/1346656038.db2.gz PATGKTYWKYGANY-MOPGFXCFSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045789870 1346699049 /nfs/dbraw/zinc/69/90/49/1346699049.db2.gz XEOFYCVBOVSNDD-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001045792919 1346699870 /nfs/dbraw/zinc/69/98/70/1346699870.db2.gz JUBTZNDOIPQVDD-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001045803530 1346702708 /nfs/dbraw/zinc/70/27/08/1346702708.db2.gz XNSNMKPCCGKGNU-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943939 1346778953 /nfs/dbraw/zinc/77/89/53/1346778953.db2.gz RSLKROFNQKVWQM-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943988 1346779079 /nfs/dbraw/zinc/77/90/79/1346779079.db2.gz UFUFDPDFPGUQTC-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045964989 1346800300 /nfs/dbraw/zinc/80/03/00/1346800300.db2.gz BBJFHDQRSACAPG-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986188 1346827380 /nfs/dbraw/zinc/82/73/80/1346827380.db2.gz JLVKPBOOQFSYCW-TZIWHRDSSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001046316061 1346932112 /nfs/dbraw/zinc/93/21/12/1346932112.db2.gz NDOAECRLWMJSJK-UYAOXDASSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319830 1346933528 /nfs/dbraw/zinc/93/35/28/1346933528.db2.gz XCMRJTAJGNEMDM-WIYYLYMNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047243217 1347269111 /nfs/dbraw/zinc/26/91/11/1347269111.db2.gz JBDLRVLDZFVHMV-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001047257912 1347280770 /nfs/dbraw/zinc/28/07/70/1347280770.db2.gz RFLJREIRWCYBMS-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047258149 1347281215 /nfs/dbraw/zinc/28/12/15/1347281215.db2.gz YEJGYNZMLODNOC-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266178 1347287129 /nfs/dbraw/zinc/28/71/29/1347287129.db2.gz SAQJMOYWHOOVEC-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001047863396 1347393306 /nfs/dbraw/zinc/39/33/06/1347393306.db2.gz CUXVOGSSWNOSSX-WMZOPIPTSA-N 2 0 346.519 3.139 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047971201 1347429210 /nfs/dbraw/zinc/42/92/10/1347429210.db2.gz CIEUWWRGFDJDNG-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047987464 1347435156 /nfs/dbraw/zinc/43/51/56/1347435156.db2.gz BISOHVWUPKILLT-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048609741 1347617474 /nfs/dbraw/zinc/61/74/74/1347617474.db2.gz PDBRVEPPSLYWCR-VAMGGRTRSA-N 2 0 349.563 3.029 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001048610422 1347617844 /nfs/dbraw/zinc/61/78/44/1347617844.db2.gz HGFOPLIXORUOBF-DLGWEJLFSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)C1 ZINC001048615481 1347619548 /nfs/dbraw/zinc/61/95/48/1347619548.db2.gz HYNQELBMKUJWQR-FHWLQOOXSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049537527 1347897576 /nfs/dbraw/zinc/89/75/76/1347897576.db2.gz RHZYLNOOXMTJPD-AQNXPRMDSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049548132 1347902925 /nfs/dbraw/zinc/90/29/25/1347902925.db2.gz CPIBONFWKGIVEC-AABGKKOBSA-N 2 0 347.547 3.282 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049548135 1347902957 /nfs/dbraw/zinc/90/29/57/1347902957.db2.gz CPIBONFWKGIVEC-AQNXPRMDSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565057 1347912802 /nfs/dbraw/zinc/91/28/02/1347912802.db2.gz SEIATEKAGFJQFM-MOPGFXCFSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001049709785 1347985575 /nfs/dbraw/zinc/98/55/75/1347985575.db2.gz JNMVWVYNHIRHDV-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049726665 1347991452 /nfs/dbraw/zinc/99/14/52/1347991452.db2.gz GGXPOPZCZZXZJC-UFYCRDLUSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049765793 1348009453 /nfs/dbraw/zinc/00/94/53/1348009453.db2.gz HZDYOZWXFJYYRR-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787095 1348021823 /nfs/dbraw/zinc/02/18/23/1348021823.db2.gz DZTGTTXQPRJQDM-PMACEKPBSA-N 2 0 343.515 3.227 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1 ZINC001049898215 1348099277 /nfs/dbraw/zinc/09/92/77/1348099277.db2.gz XOQBCNWHKHAZHK-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919386 1348112923 /nfs/dbraw/zinc/11/29/23/1348112923.db2.gz OSNPHRQPCMTGGF-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)[NH+](C)C ZINC001050144378 1348194927 /nfs/dbraw/zinc/19/49/27/1348194927.db2.gz JWNATXWSEGXQKK-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001050270931 1348224126 /nfs/dbraw/zinc/22/41/26/1348224126.db2.gz BKAOPGDJKUIVJI-APWZRJJASA-N 2 0 331.504 3.236 20 0 EGADRP CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001050272410 1348224537 /nfs/dbraw/zinc/22/45/37/1348224537.db2.gz HFLARPPJCOIRNN-INIZCTEOSA-N 2 0 331.504 3.094 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050325979 1348228189 /nfs/dbraw/zinc/22/81/89/1348228189.db2.gz PVVADKXSPQPGHD-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC001050362540 1348238730 /nfs/dbraw/zinc/23/87/30/1348238730.db2.gz OJYRVUQHMNRTCK-RUCARUNLSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001050392548 1348249187 /nfs/dbraw/zinc/24/91/87/1348249187.db2.gz PXKDXIIPDXHLID-BJLQDIEVSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050519099 1348283054 /nfs/dbraw/zinc/28/30/54/1348283054.db2.gz GBHCJDUYILLCIM-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001079850952 1357400540 /nfs/dbraw/zinc/40/05/40/1357400540.db2.gz WFFDVPNOPCHMCP-QRQLOZEOSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F)[NH+](C)C ZINC001051342143 1348438033 /nfs/dbraw/zinc/43/80/33/1348438033.db2.gz GIDHGUJIEZEOAI-GPMSIDNRSA-N 2 0 349.494 3.198 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001052377068 1348535207 /nfs/dbraw/zinc/53/52/07/1348535207.db2.gz MPBHJNIMUGJCKG-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052446644 1348542909 /nfs/dbraw/zinc/54/29/09/1348542909.db2.gz MXAKYMBYWAKRHZ-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001052506900 1348561684 /nfs/dbraw/zinc/56/16/84/1348561684.db2.gz NMZGPGKDRDBTFU-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531444 1348567637 /nfs/dbraw/zinc/56/76/37/1348567637.db2.gz IUAOCZKWBMYOBM-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CC2)CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001052651872 1348614445 /nfs/dbraw/zinc/61/44/45/1348614445.db2.gz NYLFSEPXMNBXIJ-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001052658030 1348617086 /nfs/dbraw/zinc/61/70/86/1348617086.db2.gz DYLYYXLHHSWERL-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052712380 1348645250 /nfs/dbraw/zinc/64/52/50/1348645250.db2.gz HTFCLJOZXJUMFX-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001052716871 1348646425 /nfs/dbraw/zinc/64/64/25/1348646425.db2.gz QDYYPBLWYGQCJW-YJBOKZPZSA-N 2 0 349.544 3.012 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C/C=C/Cl)CC2)cc1 ZINC001052787037 1348679665 /nfs/dbraw/zinc/67/96/65/1348679665.db2.gz HEOUTIGROVARQS-BIPIYRQYSA-N 2 0 349.906 3.085 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788549 1348679952 /nfs/dbraw/zinc/67/99/52/1348679952.db2.gz SUFRNBXGVKLRES-PXNSSMCTSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001052936223 1348755783 /nfs/dbraw/zinc/75/57/83/1348755783.db2.gz YXCUIEFVBOIXPN-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937574 1348757044 /nfs/dbraw/zinc/75/70/44/1348757044.db2.gz MAXPFYVRBYCUHV-AZUAARDMSA-N 2 0 343.515 3.123 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953712 1348768882 /nfs/dbraw/zinc/76/88/82/1348768882.db2.gz GQRFZYWVWQKVAE-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C[C@H](C)CC)CC1 ZINC001052990031 1348790696 /nfs/dbraw/zinc/79/06/96/1348790696.db2.gz IMZJVQQJOUTVIH-HCCBDMPISA-N 2 0 347.547 3.138 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001053089533 1348915608 /nfs/dbraw/zinc/91/56/08/1348915608.db2.gz BSFNLYPINRPSBM-LPHOPBHVSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100943 1348934031 /nfs/dbraw/zinc/93/40/31/1348934031.db2.gz JXYCLWVLNWBVAR-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001054197385 1349199247 /nfs/dbraw/zinc/19/92/47/1349199247.db2.gz ARPRJMZSUOHLQH-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1)[NH+](C)C ZINC001054199560 1349201292 /nfs/dbraw/zinc/20/12/92/1349201292.db2.gz ZNRJFMFEKZDGAQ-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219554 1349216474 /nfs/dbraw/zinc/21/64/74/1349216474.db2.gz QFSRLNWPWINXLA-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219128 1349216603 /nfs/dbraw/zinc/21/66/03/1349216603.db2.gz HRLZICCNDASHTL-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001054266460 1349263753 /nfs/dbraw/zinc/26/37/53/1349263753.db2.gz WXHSTHUPOHESAB-RZQQEMMASA-N 2 0 343.515 3.005 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054285187 1349287102 /nfs/dbraw/zinc/28/71/02/1349287102.db2.gz WLMLNEPFMUKKAK-HXUWFJFHSA-N 2 0 343.515 3.290 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054289806 1349293909 /nfs/dbraw/zinc/29/39/09/1349293909.db2.gz RQKDKXWUZOZJNS-FXAWDEMLSA-N 2 0 343.515 3.147 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001080557317 1357678353 /nfs/dbraw/zinc/67/83/53/1357678353.db2.gz PCXWTNWYDNVZIN-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071689151 1354852759 /nfs/dbraw/zinc/85/27/59/1354852759.db2.gz GPOWOUINFKRYCX-CRAIPNDOSA-N 2 0 342.487 3.353 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702084 1354862095 /nfs/dbraw/zinc/86/20/95/1354862095.db2.gz SYMSOWYRDJGPEF-IEBWSBKVSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001071739299 1354889023 /nfs/dbraw/zinc/88/90/23/1354889023.db2.gz QNVLGLJCLXNICK-HKUYNNGSSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1CCC1CC1 ZINC001072096220 1355127159 /nfs/dbraw/zinc/12/71/59/1355127159.db2.gz VPTBSSIULBRKTB-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072098658 1355128226 /nfs/dbraw/zinc/12/82/26/1355128226.db2.gz DLHIITXRSHRQRT-PKOBYXMFSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099426 1355129049 /nfs/dbraw/zinc/12/90/49/1355129049.db2.gz QOBDNPHKDKEAIU-PKOBYXMFSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1CC1CCC1 ZINC001072099514 1355129663 /nfs/dbraw/zinc/12/96/63/1355129663.db2.gz SBQOYZRMFCTRFS-VQIMIIECSA-N 2 0 343.515 3.131 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(C)C)C2)o1 ZINC001072110090 1355136724 /nfs/dbraw/zinc/13/67/24/1355136724.db2.gz SGECDIAJHBIIBV-SJORKVTESA-N 2 0 349.519 3.360 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(C)C)C2)o1 ZINC001072110089 1355137028 /nfs/dbraw/zinc/13/70/28/1355137028.db2.gz SGECDIAJHBIIBV-IRXDYDNUSA-N 2 0 349.519 3.360 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)C3)C1 ZINC001072907380 1355491732 /nfs/dbraw/zinc/49/17/32/1355491732.db2.gz GZFFVFFWWQPTQA-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC=C(C)C)C2 ZINC001073116680 1355605293 /nfs/dbraw/zinc/60/52/93/1355605293.db2.gz YUEBRVNSVDGOEC-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1)C1CCC1 ZINC001074023882 1356040178 /nfs/dbraw/zinc/04/01/78/1356040178.db2.gz LTUVYKZQCMTXLW-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001074030324 1356043610 /nfs/dbraw/zinc/04/36/10/1356043610.db2.gz OWMYZNLLGLFEHF-DFQSSKMNSA-N 2 0 345.531 3.401 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1C)[NH+](C)C ZINC001074067029 1356063735 /nfs/dbraw/zinc/06/37/35/1356063735.db2.gz YABQALNLBAYPPX-UXHICEINSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ccccc1)[NH+](C)C ZINC001074066732 1356063999 /nfs/dbraw/zinc/06/39/99/1356063999.db2.gz OWMYZNLLGLFEHF-RLLQIKCJSA-N 2 0 345.531 3.401 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074684285 1356223816 /nfs/dbraw/zinc/22/38/16/1356223816.db2.gz KIGJPOBWOOEUAJ-IHPCNDPISA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001074767313 1356234154 /nfs/dbraw/zinc/23/41/54/1356234154.db2.gz POBINUZQHMLMSH-VDGAXYAQSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458890 1356391918 /nfs/dbraw/zinc/39/19/18/1356391918.db2.gz SALREMZGPVYZGB-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418854 1356573987 /nfs/dbraw/zinc/57/39/87/1356573987.db2.gz RZLHFDYTIGXJED-VQTJNVASSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001080992284 1357775547 /nfs/dbraw/zinc/77/55/47/1357775547.db2.gz CLLXKRMXWFYVOP-VQIMIIECSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082559334 1358057197 /nfs/dbraw/zinc/05/71/97/1358057197.db2.gz BNBOBKFGFBPRGS-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001082943790 1358106999 /nfs/dbraw/zinc/10/69/99/1358106999.db2.gz DXPJXHIGFCHYEV-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001183510346 1387315034 /nfs/dbraw/zinc/31/50/34/1387315034.db2.gz WWQPVKCFMHKZTK-DYESRHJHSA-N 2 0 345.531 3.236 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)C)C[C@H]21 ZINC001084767731 1358305521 /nfs/dbraw/zinc/30/55/21/1358305521.db2.gz HOWQRUMDSGEKJT-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938737 1358352036 /nfs/dbraw/zinc/35/20/36/1358352036.db2.gz CRFOQDUTMRLFFB-AQNXPRMDSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085331960 1358469957 /nfs/dbraw/zinc/46/99/57/1358469957.db2.gz GNORWRPQQQLSDQ-DFQSSKMNSA-N 2 0 347.547 3.378 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875575 1358838944 /nfs/dbraw/zinc/83/89/44/1358838944.db2.gz FFIFJLANHRBCOC-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183870041 1387363794 /nfs/dbraw/zinc/36/37/94/1387363794.db2.gz YTCJSMGHTPZDRC-MGBKSAOESA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086277924 1359051391 /nfs/dbraw/zinc/05/13/91/1359051391.db2.gz AEHYXCADCNLQLF-HSALFYBXSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086364481 1359078741 /nfs/dbraw/zinc/07/87/41/1359078741.db2.gz GSGXMBDJKHNYJN-ZULIPRJHSA-N 2 0 343.515 3.105 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001086402175 1359088779 /nfs/dbraw/zinc/08/87/79/1359088779.db2.gz KXYAILXAQHAKQJ-GUDVDZBRSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086414848 1359091486 /nfs/dbraw/zinc/09/14/86/1359091486.db2.gz MTJYDSYTNJAZIR-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001184062678 1387385152 /nfs/dbraw/zinc/38/51/52/1387385152.db2.gz XGEYSESCNUNNAI-OWZKRDHZSA-N 2 0 343.515 3.030 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926014 1359251315 /nfs/dbraw/zinc/25/13/15/1359251315.db2.gz NGBNICPOENNTIR-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CCCC1)CC2)[NH+](C)C ZINC001086928808 1359253709 /nfs/dbraw/zinc/25/37/09/1359253709.db2.gz PBUZMGPXRNNMDS-PKOBYXMFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573000 1359537667 /nfs/dbraw/zinc/53/76/67/1359537667.db2.gz OWZNUYRBJJTAKE-YTQUADARSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)[C@@H]2CC)C1 ZINC001087696750 1359597260 /nfs/dbraw/zinc/59/72/60/1359597260.db2.gz LDKLCOJGWOPQQF-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088323761 1359830908 /nfs/dbraw/zinc/83/09/08/1359830908.db2.gz YDHSJLJOJRZEDN-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088323387 1359830943 /nfs/dbraw/zinc/83/09/43/1359830943.db2.gz MYNCJDQCDLXECA-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001088327732 1359831876 /nfs/dbraw/zinc/83/18/76/1359831876.db2.gz VLTHJGBTVBZGAR-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001088425732 1359894486 /nfs/dbraw/zinc/89/44/86/1359894486.db2.gz BJNMDJJZVVALJV-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088431263 1359898922 /nfs/dbraw/zinc/89/89/22/1359898922.db2.gz NZNHJCYPBFGPTK-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001088567428 1359977112 /nfs/dbraw/zinc/97/71/12/1359977112.db2.gz NMNVEMVATXRXOZ-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088621867 1359993592 /nfs/dbraw/zinc/99/35/92/1359993592.db2.gz XCXFJFWIKFPPBK-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC1=CCCCC1 ZINC001088702811 1360015881 /nfs/dbraw/zinc/01/58/81/1360015881.db2.gz KOUHRZQMXSUEGX-MJGOQNOKSA-N 2 0 345.531 3.084 20 0 EGADRP C[N@H+](C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001089136896 1360195732 /nfs/dbraw/zinc/19/57/32/1360195732.db2.gz OZFBYNCXSBCFNQ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001089215601 1360260953 /nfs/dbraw/zinc/26/09/53/1360260953.db2.gz UOEKLYJQGLXWPE-ROUUACIJSA-N 2 0 349.544 3.045 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001089260230 1360288872 /nfs/dbraw/zinc/28/88/72/1360288872.db2.gz BRAVLTAKEKNBSI-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473577 1360457257 /nfs/dbraw/zinc/45/72/57/1360457257.db2.gz ZAUPUZFLOZJVCQ-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527647 1360490750 /nfs/dbraw/zinc/49/07/50/1360490750.db2.gz RWWYTFZAACQUTH-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089538585 1360496671 /nfs/dbraw/zinc/49/66/71/1360496671.db2.gz XDFAENSNLYHGII-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089639447 1360553394 /nfs/dbraw/zinc/55/33/94/1360553394.db2.gz WELYAVHLNKBLSP-OALUTQOASA-N 2 0 349.563 3.432 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001091198915 1361005111 /nfs/dbraw/zinc/00/51/11/1361005111.db2.gz ZBQJHJSZDBOFJS-AVAKVYKDSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091378647 1361068639 /nfs/dbraw/zinc/06/86/39/1361068639.db2.gz RIUKIIHSLVGXNX-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184565283 1387493507 /nfs/dbraw/zinc/49/35/07/1387493507.db2.gz HNEWCFXYADPUBA-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585710 1387497786 /nfs/dbraw/zinc/49/77/86/1387497786.db2.gz SQQDZTFRAHYUIA-DUMMIQTOSA-N 2 0 335.536 3.045 20 0 EGADRP CN(C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC001323991728 1387505536 /nfs/dbraw/zinc/50/55/36/1387505536.db2.gz SDICQYSILUJFNR-MJGOQNOKSA-N 2 0 337.458 3.396 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092658151 1361433997 /nfs/dbraw/zinc/43/39/97/1361433997.db2.gz JTKIDFCYTBTRIC-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001184702417 1387514919 /nfs/dbraw/zinc/51/49/19/1387514919.db2.gz YATIRRLDEUUBKC-RDJZCZTQSA-N 2 0 342.487 3.131 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001093120762 1361532620 /nfs/dbraw/zinc/53/26/20/1361532620.db2.gz MNUUTBDVWRKWPF-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120813 1361532827 /nfs/dbraw/zinc/53/28/27/1361532827.db2.gz OPKYVXNKDQMRJE-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184723959 1387521311 /nfs/dbraw/zinc/52/13/11/1387521311.db2.gz LOBBVWBOSHIPSD-DHJFXDNESA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H]2[N@H+](CC(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093372484 1361582046 /nfs/dbraw/zinc/58/20/46/1361582046.db2.gz DRAUWTIWKLYGKW-MOPGFXCFSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093808299 1361699855 /nfs/dbraw/zinc/69/98/55/1361699855.db2.gz NPTHVJJNOIWYSZ-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001324080662 1387532885 /nfs/dbraw/zinc/53/28/85/1387532885.db2.gz JRXMJJDVPMGCIC-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001095241971 1362065154 /nfs/dbraw/zinc/06/51/54/1362065154.db2.gz AYMKGWBAUBNEOV-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001095668412 1362198760 /nfs/dbraw/zinc/19/87/60/1362198760.db2.gz OMGIWFMXAJJIHU-FYQPLNBISA-N 2 0 347.547 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668937 1362199082 /nfs/dbraw/zinc/19/90/82/1362199082.db2.gz YKYKXAVXMGGUBM-FYQPLNBISA-N 2 0 349.563 3.265 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001184933586 1387564594 /nfs/dbraw/zinc/56/45/94/1387564594.db2.gz LOFCIZPUPLZATR-FNYRVFDFSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)CC[N@@H+]1C ZINC001095921177 1362289185 /nfs/dbraw/zinc/28/91/85/1362289185.db2.gz HZECTWDAQKXRMK-UVBQOVKKSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001096104414 1362384344 /nfs/dbraw/zinc/38/43/44/1362384344.db2.gz IJXGUTNLEISZDN-XWSJACJDSA-N 2 0 349.563 3.407 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CCc2c[nH]cn2)CC1 ZINC001324317832 1387589896 /nfs/dbraw/zinc/58/98/96/1387589896.db2.gz BAJQZDQKHVOLQC-MRXNPFEDSA-N 2 0 340.471 3.074 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097218649 1362890351 /nfs/dbraw/zinc/89/03/51/1362890351.db2.gz JTNMBAFRMLTVNG-NMLBUPMWSA-N 2 0 347.547 3.161 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001098191598 1363250116 /nfs/dbraw/zinc/25/01/16/1363250116.db2.gz KWXXRJHIJZUYFU-ZRNYENFQSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098825863 1363483407 /nfs/dbraw/zinc/48/34/07/1363483407.db2.gz HSPWIVJLVNFBEE-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106171 1363625384 /nfs/dbraw/zinc/62/53/84/1363625384.db2.gz CGSQJGDWPWCINQ-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111139 1363628620 /nfs/dbraw/zinc/62/86/20/1363628620.db2.gz SEINFRSGBHRIBL-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099116801 1363632752 /nfs/dbraw/zinc/63/27/52/1363632752.db2.gz WGDQOROCTAHZLW-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099241320 1363709911 /nfs/dbraw/zinc/70/99/11/1363709911.db2.gz YLXIFUPEWFRFHQ-XRZRDHLVSA-N 2 0 337.552 3.290 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099309154 1363741494 /nfs/dbraw/zinc/74/14/94/1363741494.db2.gz AIIAHSJQPWLNDT-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C/C=C\Cl ZINC001099320230 1363747829 /nfs/dbraw/zinc/74/78/29/1363747829.db2.gz HRUVEGOBXMYULC-CXSQMQJXSA-N 2 0 343.943 3.078 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339045 1363758572 /nfs/dbraw/zinc/75/85/72/1363758572.db2.gz CUPFOVBLUPKZPB-XFHJGTJQSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099348039 1363764727 /nfs/dbraw/zinc/76/47/27/1363764727.db2.gz FOCZCUOEPVXKRX-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099348038 1363765033 /nfs/dbraw/zinc/76/50/33/1363765033.db2.gz FOCZCUOEPVXKRX-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405651 1364103416 /nfs/dbraw/zinc/10/34/16/1364103416.db2.gz HDQAAPDMICMGIZ-UTSWGOQQSA-N 2 0 347.547 3.234 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100459877 1364122043 /nfs/dbraw/zinc/12/20/43/1364122043.db2.gz CEXGANKSBXQBFA-UHFFFAOYSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1c(C(=O)NCC2CC([NH2+]CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001100467926 1364125649 /nfs/dbraw/zinc/12/56/49/1364125649.db2.gz UYNSAFGOUWOEPY-UHFFFAOYSA-N 2 0 342.487 3.177 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100599223 1364183031 /nfs/dbraw/zinc/18/30/31/1364183031.db2.gz PWPDPWCVYDDZFX-GPJFCIFZSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@H+](CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1)CC(C)(C)C ZINC001100681533 1364216575 /nfs/dbraw/zinc/21/65/75/1364216575.db2.gz MPPFNFMCCOLHJF-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001100683491 1364217313 /nfs/dbraw/zinc/21/73/13/1364217313.db2.gz DRJXCSYQBUYSMB-UUKMXZOPSA-N 2 0 345.531 3.135 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729332 1364238036 /nfs/dbraw/zinc/23/80/36/1364238036.db2.gz AWLOVXGLCVDMMP-KMJZGYOJSA-N 2 0 349.563 3.480 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729329 1364238182 /nfs/dbraw/zinc/23/81/82/1364238182.db2.gz AWLOVXGLCVDMMP-HPEWHVDNSA-N 2 0 349.563 3.480 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100732262 1364239777 /nfs/dbraw/zinc/23/97/77/1364239777.db2.gz ZLYPODTXFJQEJH-SQNHLAQESA-N 2 0 349.563 3.482 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001100765216 1364251836 /nfs/dbraw/zinc/25/18/36/1364251836.db2.gz YJTOTZBURLYUHD-VURMDHGXSA-N 2 0 337.552 3.339 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001100815018 1364275956 /nfs/dbraw/zinc/27/59/56/1364275956.db2.gz CXCFZSDOJPDXIG-UHFFFAOYSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100889932 1364314773 /nfs/dbraw/zinc/31/47/73/1364314773.db2.gz DDVWYHAXSOJXDX-VIQWUECVSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001101037453 1364384048 /nfs/dbraw/zinc/38/40/48/1364384048.db2.gz NMQSCFCOJPHNMX-MHJFOBGBSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101037514 1364384639 /nfs/dbraw/zinc/38/46/39/1364384639.db2.gz POESFCFQHSFDRT-CTWPCTMYSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101364032 1364528897 /nfs/dbraw/zinc/52/88/97/1364528897.db2.gz LADBWHVRJNBOGU-OPYAIIAOSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101395747 1364544446 /nfs/dbraw/zinc/54/44/46/1364544446.db2.gz MPEGIIJQSRVTLE-CTNGQTDRSA-N 2 0 349.563 3.245 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101399964 1364545043 /nfs/dbraw/zinc/54/50/43/1364545043.db2.gz AHYREDCZJLZREV-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101594651 1364645508 /nfs/dbraw/zinc/64/55/08/1364645508.db2.gz JDMKWCFKRGCTNC-HPFMTEOYSA-N 2 0 349.563 3.149 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101597723 1364648751 /nfs/dbraw/zinc/64/87/51/1364648751.db2.gz YWHYUTZQRNZINN-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061723 1364829189 /nfs/dbraw/zinc/82/91/89/1364829189.db2.gz BLHNORCGGUYHGH-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102062027 1364829306 /nfs/dbraw/zinc/82/93/06/1364829306.db2.gz RTBSXBDHDHYOGY-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001102122693 1364872659 /nfs/dbraw/zinc/87/26/59/1364872659.db2.gz HLKJAIZCKKCINI-SJLPKXTDSA-N 2 0 342.487 3.212 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479711 1365077965 /nfs/dbraw/zinc/07/79/65/1365077965.db2.gz CTPJJKCMTRBFTF-KJYWSYJISA-N 2 0 349.563 3.149 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102497160 1365086726 /nfs/dbraw/zinc/08/67/26/1365086726.db2.gz DHXSVGONYUNTTG-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001103060547 1365358962 /nfs/dbraw/zinc/35/89/62/1365358962.db2.gz RWPCESVYGVVRQV-JCHUFIKGSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185527354 1387739825 /nfs/dbraw/zinc/73/98/25/1387739825.db2.gz QLVFTSIQYKLRSZ-MOPGFXCFSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001103271195 1365465451 /nfs/dbraw/zinc/46/54/51/1365465451.db2.gz CERAQKVPUQMNJU-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001103271576 1365465553 /nfs/dbraw/zinc/46/55/53/1365465553.db2.gz VOXFUEVHAHMCHN-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751557 1365763891 /nfs/dbraw/zinc/76/38/91/1365763891.db2.gz GJDVEMHATFOYFY-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001104196465 1365947818 /nfs/dbraw/zinc/94/78/18/1365947818.db2.gz XPVRFFVBUSBKTP-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104286925 1365976444 /nfs/dbraw/zinc/97/64/44/1365976444.db2.gz MPKJMKCOTDRPKO-AQNXPRMDSA-N 2 0 349.563 3.005 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104348741 1365982332 /nfs/dbraw/zinc/98/23/32/1365982332.db2.gz SKRQMBHMMZTNBX-QLTKYKRFSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104378782 1365995203 /nfs/dbraw/zinc/99/52/03/1365995203.db2.gz GPAXZUNWVAYNTR-AQNXPRMDSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC[NH2+]CC1CC1 ZINC001104452544 1366033655 /nfs/dbraw/zinc/03/36/55/1366033655.db2.gz NZEQQRBBAOEPBI-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001185710101 1387783922 /nfs/dbraw/zinc/78/39/22/1387783922.db2.gz RSNOXXPWWCVMEY-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185740197 1387787134 /nfs/dbraw/zinc/78/71/34/1387787134.db2.gz BGIPJMRLFMIMSS-UHDDOPSISA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001324868727 1387797669 /nfs/dbraw/zinc/79/76/69/1387797669.db2.gz NAHLRXXMIBTEQU-GOSISDBHSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001185780105 1387797909 /nfs/dbraw/zinc/79/79/09/1387797909.db2.gz TTWYXRYPWNVAJM-PMACEKPBSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058367 1366299346 /nfs/dbraw/zinc/29/93/46/1366299346.db2.gz FFKIACMJQZQBEU-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062283 1366301292 /nfs/dbraw/zinc/30/12/92/1366301292.db2.gz KRPJCBJTMKGERQ-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394168 1366442885 /nfs/dbraw/zinc/44/28/85/1366442885.db2.gz PNUGHUYJPNICCD-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536721 1366516240 /nfs/dbraw/zinc/51/62/40/1366516240.db2.gz IBSQTLFVUUZSCZ-MOPGFXCFSA-N 2 0 349.563 3.409 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105541595 1366519960 /nfs/dbraw/zinc/51/99/60/1366519960.db2.gz FDMXXBSDXUKDSV-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCC1 ZINC001105549844 1366525666 /nfs/dbraw/zinc/52/56/66/1366525666.db2.gz WHUDVPJODJHOMW-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001105556414 1366529116 /nfs/dbraw/zinc/52/91/16/1366529116.db2.gz FLXOLVYNGNHUEV-GBESFXJTSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574410 1366741436 /nfs/dbraw/zinc/74/14/36/1366741436.db2.gz IBBFJAJAMAVNMS-QWFCFKBJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1)[NH+](CC)CC ZINC001106660707 1366767977 /nfs/dbraw/zinc/76/79/77/1366767977.db2.gz YCRLMBVYBLLVPV-RLLQIKCJSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1)C(C)C ZINC001106776589 1366794774 /nfs/dbraw/zinc/79/47/74/1366794774.db2.gz VIYDUIYQICLITF-QRVBRYPASA-N 2 0 339.568 3.083 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825551 1366809142 /nfs/dbraw/zinc/80/91/42/1366809142.db2.gz XJOYOWIGRFRZQZ-YKMDAGRBSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037407 1366862581 /nfs/dbraw/zinc/86/25/81/1366862581.db2.gz CYAFKUMQGBRIOA-PFRNKHFKSA-N 2 0 349.563 3.147 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001107037231 1366862643 /nfs/dbraw/zinc/86/26/43/1366862643.db2.gz XWLBCHMBAMMNAU-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001107435968 1366963074 /nfs/dbraw/zinc/96/30/74/1366963074.db2.gz HVHJYWUKWZKCRV-SFHLNBCPSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2)C1CC1 ZINC001107439028 1366963541 /nfs/dbraw/zinc/96/35/41/1366963541.db2.gz OQTIDXVGPLRFBS-LVCYWYKZSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001107485234 1366986949 /nfs/dbraw/zinc/98/69/49/1366986949.db2.gz QANSVLAHQVDSOB-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCCC2)C1 ZINC001324947140 1387843653 /nfs/dbraw/zinc/84/36/53/1387843653.db2.gz GYKMAIMPBZJPER-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189426506 1367018535 /nfs/dbraw/zinc/01/85/35/1367018535.db2.gz XGMYBYUMBLXLMK-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530138 1367023075 /nfs/dbraw/zinc/02/30/75/1367023075.db2.gz IALNMWUWHYLVHJ-TZIWHRDSSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534066 1367025248 /nfs/dbraw/zinc/02/52/48/1367025248.db2.gz VRSZTFOGMSYXJM-QWFCFKBJSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]21 ZINC001189454598 1367025570 /nfs/dbraw/zinc/02/55/70/1367025570.db2.gz XNXNGKKAABCFBQ-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2)[NH+](C)C ZINC001107554578 1367039381 /nfs/dbraw/zinc/03/93/81/1367039381.db2.gz CXDOEWRGUSMVBM-SQGPQFPESA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567261 1367048859 /nfs/dbraw/zinc/04/88/59/1367048859.db2.gz PJDVXFJLHCZCSG-SFHLNBCPSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001107582046 1367056142 /nfs/dbraw/zinc/05/61/42/1367056142.db2.gz TYTVZVHGMRARLC-UYAOXDASSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107614550 1367073585 /nfs/dbraw/zinc/07/35/85/1367073585.db2.gz FPURMSHFNFJKQK-YKMDAGRBSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001109417896 1367112285 /nfs/dbraw/zinc/11/22/85/1367112285.db2.gz QOAWXHKDIXVLAG-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419298 1367112928 /nfs/dbraw/zinc/11/29/28/1367112928.db2.gz NGAXGUWBEPPGHJ-CFXMGXPISA-N 2 0 347.547 3.329 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872236 1367121630 /nfs/dbraw/zinc/12/16/30/1367121630.db2.gz WDZRLALXJBXWLA-YZGWKJHDSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001109464255 1367138152 /nfs/dbraw/zinc/13/81/52/1367138152.db2.gz SSOINKDZNQTYNM-QYZOEREBSA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473906 1367145753 /nfs/dbraw/zinc/14/57/53/1367145753.db2.gz JRQFVWISBMPKPP-LIAHNQMCSA-N 2 0 347.547 3.185 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190179198 1367193924 /nfs/dbraw/zinc/19/39/24/1367193924.db2.gz ZRTXKMGQTIURHX-KRWDZBQOSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1)C1CCCCC1 ZINC001109560452 1367198745 /nfs/dbraw/zinc/19/87/45/1367198745.db2.gz AOAOMDSAAPACJM-AABGKKOBSA-N 2 0 347.547 3.163 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324749 1367226977 /nfs/dbraw/zinc/22/69/77/1367226977.db2.gz NMNOINXPMOEZCG-IKLBINMZSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001109655275 1367266721 /nfs/dbraw/zinc/26/67/21/1367266721.db2.gz NMRXJYKNVVCCNV-RNQOJCNYSA-N 2 0 343.515 3.119 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190485364 1367274111 /nfs/dbraw/zinc/27/41/11/1367274111.db2.gz ZPOBMNVUJDWKEC-JNVNVXKGSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656940 1367320311 /nfs/dbraw/zinc/32/03/11/1367320311.db2.gz YDCILWQWCGIPJT-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799175 1367328813 /nfs/dbraw/zinc/32/88/13/1367328813.db2.gz MHKDBEVTDDWLMO-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001191079616 1367419506 /nfs/dbraw/zinc/41/95/06/1367419506.db2.gz BOZFQILHXHFXGU-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550307 1367525980 /nfs/dbraw/zinc/52/59/80/1367525980.db2.gz BKUJURRKOGZPEU-HKUYNNGSSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)CCCC1 ZINC001191560411 1367527618 /nfs/dbraw/zinc/52/76/18/1367527618.db2.gz FNOQCYKMLDUFMP-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161774 1367534798 /nfs/dbraw/zinc/53/47/98/1367534798.db2.gz SJJUBOYRRNPUOW-FYQPLNBISA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108733022 1367564666 /nfs/dbraw/zinc/56/46/66/1367564666.db2.gz DJBWGKZQODDLER-OTWHNJEPSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765812 1367581174 /nfs/dbraw/zinc/58/11/74/1367581174.db2.gz SYFWTTDMVHRZBX-CXLTZZKYSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108772255 1367587673 /nfs/dbraw/zinc/58/76/73/1367587673.db2.gz LDPVBXBVEYUSMG-HBTDMPEGSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794094 1367599892 /nfs/dbraw/zinc/59/98/92/1367599892.db2.gz NZCHEKZRFXXQTO-QHWWWDCYSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823443 1367620049 /nfs/dbraw/zinc/62/00/49/1367620049.db2.gz NAJIVLUPISLRAW-OTWHNJEPSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001108830522 1367623762 /nfs/dbraw/zinc/62/37/62/1367623762.db2.gz OTOGTUWFIVJAGQ-IHPCNDPISA-N 2 0 343.515 3.131 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001192326871 1367754258 /nfs/dbraw/zinc/75/42/58/1367754258.db2.gz UBGYHVSQIKIDTB-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cccc(C[NH+](C)[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001192384890 1367769683 /nfs/dbraw/zinc/76/96/83/1367769683.db2.gz BJBMROMWFSWFKS-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110544825 1367821854 /nfs/dbraw/zinc/82/18/54/1367821854.db2.gz HGKBEZSLIUBUOL-GDFACCDQSA-N 2 0 347.547 3.327 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576664 1367844211 /nfs/dbraw/zinc/84/42/11/1367844211.db2.gz VELGCFPSJDOKCU-DRGFIHASSA-N 2 0 347.547 3.185 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)C(C)C ZINC001192918386 1367904923 /nfs/dbraw/zinc/90/49/23/1367904923.db2.gz ZKLIFIGTYOYQFE-ROUUACIJSA-N 2 0 339.568 3.322 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)C1CC1 ZINC001110666444 1367905710 /nfs/dbraw/zinc/90/57/10/1367905710.db2.gz LMETVXWEDQBEQY-ZRNYENFQSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001110716047 1367944322 /nfs/dbraw/zinc/94/43/22/1367944322.db2.gz HVFNQDVPONLYIQ-MKXGPGLRSA-N 2 0 349.563 3.265 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383256 1368015957 /nfs/dbraw/zinc/01/59/57/1368015957.db2.gz RFJLQJTWERFVSH-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847009 1368027746 /nfs/dbraw/zinc/02/77/46/1368027746.db2.gz GYCWVXVJRKBMCY-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CC2)CCCCC1 ZINC001110857477 1368037407 /nfs/dbraw/zinc/03/74/07/1368037407.db2.gz CJVQHYFDBXDTAA-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857748 1368037999 /nfs/dbraw/zinc/03/79/99/1368037999.db2.gz PILRIRWPJDIEPN-AFYVEPGGSA-N 2 0 349.563 3.409 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)CCCC1 ZINC001110862361 1368042120 /nfs/dbraw/zinc/04/21/20/1368042120.db2.gz LZWSYHUYAVSBAO-KURKYZTESA-N 2 0 349.563 3.409 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885938 1368059757 /nfs/dbraw/zinc/05/97/57/1368059757.db2.gz DLEKQDOYULPUQS-RTUSNTFBSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193600939 1368070240 /nfs/dbraw/zinc/07/02/40/1368070240.db2.gz OXTLEZNJFAVGFF-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cccc(CC)c2)C1 ZINC001193601065 1368071430 /nfs/dbraw/zinc/07/14/30/1368071430.db2.gz RHYZJQVYEKRCEG-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C(C)C)C1 ZINC001193643361 1368083376 /nfs/dbraw/zinc/08/33/76/1368083376.db2.gz SURPZZMPWSYEJP-LJQANCHMSA-N 2 0 345.531 3.185 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994112 1368138032 /nfs/dbraw/zinc/13/80/32/1368138032.db2.gz OTEUBKTVYFEMJH-WHESZECBSA-N 2 0 335.536 3.041 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)C1 ZINC001111161643 1368172077 /nfs/dbraw/zinc/17/20/77/1368172077.db2.gz VACUUIUTPVCADI-WKXIVMOISA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1C ZINC001111169455 1368180076 /nfs/dbraw/zinc/18/00/76/1368180076.db2.gz UVRHCWAGFYJMLZ-CUDHKJQZSA-N 2 0 343.515 3.119 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227683 1368212940 /nfs/dbraw/zinc/21/29/40/1368212940.db2.gz LVWIMBARVMOLDF-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194265206 1368219366 /nfs/dbraw/zinc/21/93/66/1368219366.db2.gz BXQWWMNDZHKFMV-YMHTTXFNSA-N 2 0 335.536 3.140 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001194265401 1368219930 /nfs/dbraw/zinc/21/99/30/1368219930.db2.gz CVFANMPDTFVGEE-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1)C(C)C ZINC001186427647 1387940923 /nfs/dbraw/zinc/94/09/23/1387940923.db2.gz IUANPYZNVRPGKN-WOJBJXKFSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111870662 1368518060 /nfs/dbraw/zinc/51/80/60/1368518060.db2.gz IKBAJDPRHIXUJD-WFXMLNOXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201316 1368566813 /nfs/dbraw/zinc/56/68/13/1368566813.db2.gz YETPXCZIXDUFBE-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388955 1368604659 /nfs/dbraw/zinc/60/46/59/1368604659.db2.gz XJPBTSGHYGISAM-PXDRNWIDSA-N 2 0 349.563 3.388 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009523 1368613213 /nfs/dbraw/zinc/61/32/13/1368613213.db2.gz HHUICXGBSQIWCL-LGYYHMKYSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619670 1368650944 /nfs/dbraw/zinc/65/09/44/1368650944.db2.gz HRZPRYLTFZYTHC-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619931 1368651132 /nfs/dbraw/zinc/65/11/32/1368651132.db2.gz PMBIWYKAUHKZIL-SGSXCFNPSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001196962916 1368721692 /nfs/dbraw/zinc/72/16/92/1368721692.db2.gz LDPOTGWDOJPHLN-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196963270 1368721734 /nfs/dbraw/zinc/72/17/34/1368721734.db2.gz PTQUIINUXUOGEI-LJQANCHMSA-N 2 0 345.531 3.241 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001197141591 1368753679 /nfs/dbraw/zinc/75/36/79/1368753679.db2.gz JUADPFRHWAYDMR-QUCCMNQESA-N 2 0 345.531 3.402 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330602 1368789512 /nfs/dbraw/zinc/78/95/12/1368789512.db2.gz CCUIWKLUMGJKTR-VZSQWMKGSA-N 2 0 335.536 3.142 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@H+](CCCCCF)CC2)cc1 ZINC001197448106 1368816748 /nfs/dbraw/zinc/81/67/48/1368816748.db2.gz QFQNVMPKHDWRNC-UHFFFAOYSA-N 2 0 349.494 3.036 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](CC2CCCC2)CC1 ZINC001197477916 1368822994 /nfs/dbraw/zinc/82/29/94/1368822994.db2.gz OEHHWEVRBBCXNT-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112431226 1368846428 /nfs/dbraw/zinc/84/64/28/1368846428.db2.gz DMDGGZGSYVYDSO-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001197907461 1368922477 /nfs/dbraw/zinc/92/24/77/1368922477.db2.gz FJZRQQBEAPAHCY-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001197922385 1368924450 /nfs/dbraw/zinc/92/44/50/1368924450.db2.gz QZWLLLQLMKRKMP-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966462 1369113470 /nfs/dbraw/zinc/11/34/70/1369113470.db2.gz ZUIFNOIKFBCLIV-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605517 1387983374 /nfs/dbraw/zinc/98/33/74/1387983374.db2.gz ONXJSSUURCEZKU-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[NH+](CCC2CCCCC2)CC1)[NH+](CC)CC ZINC001113338519 1369357908 /nfs/dbraw/zinc/35/79/08/1369357908.db2.gz GQNMMVSMBVFBBW-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577729 1369393244 /nfs/dbraw/zinc/39/32/44/1369393244.db2.gz FNCRVBPOBBHUBH-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200578563 1369393480 /nfs/dbraw/zinc/39/34/80/1369393480.db2.gz XFUGPDZBENGIIJ-GOSISDBHSA-N 2 0 347.547 3.188 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1)C(C)C ZINC001113441564 1369431052 /nfs/dbraw/zinc/43/10/52/1369431052.db2.gz HKDRURHJEMACSK-RBUKOAKNSA-N 2 0 339.568 3.179 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C[C@H](C)CC(C)C)CC1)C(C)C ZINC001113441562 1369431164 /nfs/dbraw/zinc/43/11/64/1369431164.db2.gz HKDRURHJEMACSK-MOPGFXCFSA-N 2 0 339.568 3.179 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1)C(C)C ZINC001113441563 1369431426 /nfs/dbraw/zinc/43/14/26/1369431426.db2.gz HKDRURHJEMACSK-OALUTQOASA-N 2 0 339.568 3.179 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CC2CC3(CCC3)C2)CC1)C(C)C ZINC001113441698 1369431491 /nfs/dbraw/zinc/43/14/91/1369431491.db2.gz NYIUQIFYRFVICV-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001113561520 1369494860 /nfs/dbraw/zinc/49/48/60/1369494860.db2.gz FYKIYFKTNMSJRL-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201527936 1369566210 /nfs/dbraw/zinc/56/62/10/1369566210.db2.gz FMXNOACEDJNQRY-WOJBJXKFSA-N 2 0 331.504 3.041 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(Cl)cnc3Cl)cc[nH+]2)CC1 ZINC001201650867 1369597164 /nfs/dbraw/zinc/59/71/64/1369597164.db2.gz GDUJXJUHHHBEDG-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001202472601 1369782186 /nfs/dbraw/zinc/78/21/86/1369782186.db2.gz ALFLGIFCBYOZSH-FXAWDEMLSA-N 2 0 345.531 3.449 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1)[NH+](CC)CC ZINC001202473390 1369783072 /nfs/dbraw/zinc/78/30/72/1369783072.db2.gz KCLHOQIWDSNPRG-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001202473613 1369783176 /nfs/dbraw/zinc/78/31/76/1369783176.db2.gz LRTPISCRBBWGHY-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP C[N@H+](CC(=O)N1CCC([NH2+]CCC2CCCC2)CC1)CC(C)(C)C ZINC001202538764 1369802944 /nfs/dbraw/zinc/80/29/44/1369802944.db2.gz BAZFOJYAZQCPGR-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001202763833 1369882784 /nfs/dbraw/zinc/88/27/84/1369882784.db2.gz IDUIWMPAPCOARP-SFHVURJKSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001202763421 1369883032 /nfs/dbraw/zinc/88/30/32/1369883032.db2.gz DBKXPRFNSHVNOU-PYTPGESOSA-N 2 0 335.536 3.188 20 0 EGADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202872807 1369914146 /nfs/dbraw/zinc/91/41/46/1369914146.db2.gz QFHOCGCKMOQVOC-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)cc1 ZINC001202939302 1369931706 /nfs/dbraw/zinc/93/17/06/1369931706.db2.gz DYUHDKVRXOOIHJ-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114403120 1369933682 /nfs/dbraw/zinc/93/36/82/1369933682.db2.gz NGMWCCOFBOMEPQ-IQEWJBNJSA-N 2 0 347.547 3.042 20 0 EGADRP CCC1(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)COC1 ZINC001202969528 1369940711 /nfs/dbraw/zinc/94/07/11/1369940711.db2.gz YXGCZHYZIQLTQE-VQTJNVASSA-N 2 0 328.500 3.257 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH2+]CCCCC)CC1 ZINC001202973730 1369942729 /nfs/dbraw/zinc/94/27/29/1369942729.db2.gz NCHMYXQXQURLJM-UHFFFAOYSA-N 2 0 325.541 3.269 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115320 1369988234 /nfs/dbraw/zinc/98/82/34/1369988234.db2.gz UFZAKLZVZMGEFP-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259976 1370047303 /nfs/dbraw/zinc/04/73/03/1370047303.db2.gz ZKRGTHAIEOWNOI-ZWKOTPCHSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C23CCC3)CC1 ZINC001203317104 1370079970 /nfs/dbraw/zinc/07/99/70/1370079970.db2.gz LGIQAFPKPKHOGA-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330621 1370085010 /nfs/dbraw/zinc/08/50/10/1370085010.db2.gz MLGSNCFWGLHIFR-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417716 1370117986 /nfs/dbraw/zinc/11/79/86/1370117986.db2.gz BMOUQZYJKKPGEN-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461775 1370134821 /nfs/dbraw/zinc/13/48/21/1370134821.db2.gz ILCIWDVCUDOJAY-RTBURBONSA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203462547 1370135012 /nfs/dbraw/zinc/13/50/12/1370135012.db2.gz ODKDGDYNYJOHBZ-LSLCWXNRSA-N 2 0 347.547 3.092 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203507789 1370149010 /nfs/dbraw/zinc/14/90/10/1370149010.db2.gz VKDHDQWHCREJII-OALUTQOASA-N 2 0 343.515 3.179 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524475 1370155499 /nfs/dbraw/zinc/15/54/99/1370155499.db2.gz WAONLVLOUDHHTC-MHEJJFAZSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203633040 1370194623 /nfs/dbraw/zinc/19/46/23/1370194623.db2.gz VZGUNOCGSGLNMP-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203640950 1370197476 /nfs/dbraw/zinc/19/74/76/1370197476.db2.gz KYKXDAZZBKPCFQ-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203652550 1370202497 /nfs/dbraw/zinc/20/24/97/1370202497.db2.gz VOFPNYZEOXSJHP-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001203702126 1370226362 /nfs/dbraw/zinc/22/63/62/1370226362.db2.gz WXPSHNDOSFCBAO-NHCUHLMSSA-N 2 0 328.500 3.175 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203732455 1370240256 /nfs/dbraw/zinc/24/02/56/1370240256.db2.gz YPWHCEQIMGETRS-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203739461 1370243701 /nfs/dbraw/zinc/24/37/01/1370243701.db2.gz FRFIGSKXDNWKKQ-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2 ZINC001203770905 1370257992 /nfs/dbraw/zinc/25/79/92/1370257992.db2.gz JVNHVFJSXPVZHC-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203770168 1370258315 /nfs/dbraw/zinc/25/83/15/1370258315.db2.gz DUSLJYIGUZIHJE-OALUTQOASA-N 2 0 343.515 3.179 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203774042 1370259762 /nfs/dbraw/zinc/25/97/62/1370259762.db2.gz YGXXBJQHRMRQSA-RBUKOAKNSA-N 2 0 343.515 3.179 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203774040 1370260112 /nfs/dbraw/zinc/26/01/12/1370260112.db2.gz YGXXBJQHRMRQSA-OALUTQOASA-N 2 0 343.515 3.179 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203823056 1370278296 /nfs/dbraw/zinc/27/82/96/1370278296.db2.gz FJYSMFKIHYWXKG-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](CCC)CCC ZINC001115116980 1370290909 /nfs/dbraw/zinc/29/09/09/1370290909.db2.gz RPXANVQEEXLPRD-RUYXUALKSA-N 2 0 337.552 3.125 20 0 EGADRP Oc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001203862845 1370293801 /nfs/dbraw/zinc/29/38/01/1370293801.db2.gz VNVCTNUZLNWTJW-UHFFFAOYSA-N 2 0 326.440 3.473 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Oc2ccccc2)cc1 ZINC001203946614 1370324955 /nfs/dbraw/zinc/32/49/55/1370324955.db2.gz LSSIMLHSEXBPTJ-UHFFFAOYSA-N 2 0 341.499 3.404 20 0 EGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001204148318 1370390419 /nfs/dbraw/zinc/39/04/19/1370390419.db2.gz ITGUCBALWCXFTQ-OALUTQOASA-N 2 0 330.472 3.312 20 0 EGADRP Fc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(F)c1 ZINC001204207736 1370407919 /nfs/dbraw/zinc/40/79/19/1370407919.db2.gz JENLVXLEEPNFOJ-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@]1(C)O ZINC001204263099 1370425347 /nfs/dbraw/zinc/42/53/47/1370425347.db2.gz GOOUIUONOWEHOX-XLIONFOSSA-N 2 0 334.504 3.000 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC001204263658 1370426067 /nfs/dbraw/zinc/42/60/67/1370426067.db2.gz AAYLULMPQVMPTR-UHFFFAOYSA-N 2 0 342.483 3.012 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)c(C)c1)C2 ZINC001204352668 1370451080 /nfs/dbraw/zinc/45/10/80/1370451080.db2.gz UBQYYBXSIJMJRJ-VXKWHMMOSA-N 2 0 342.527 3.484 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115450434 1370458091 /nfs/dbraw/zinc/45/80/91/1370458091.db2.gz APAFATZPSFPOQE-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP C[NH+]1CC2(C1)CCN(Cc1cc(Br)ccc1F)CC2 ZINC001204499137 1370493964 /nfs/dbraw/zinc/49/39/64/1370493964.db2.gz WGGBKGZHDHXFKP-UHFFFAOYSA-N 2 0 327.241 3.116 20 0 EGADRP Cc1c(F)cccc1CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001204509151 1370497505 /nfs/dbraw/zinc/49/75/05/1370497505.db2.gz MFBRPSSBLJPYCT-TZIWHRDSSA-N 2 0 346.490 3.314 20 0 EGADRP Clc1ccc(N2CC[NH+](CC3CC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001204621432 1370532208 /nfs/dbraw/zinc/53/22/08/1370532208.db2.gz HGDFXPYEOGCXSH-UHFFFAOYSA-N 2 0 333.907 3.242 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115534956 1370532452 /nfs/dbraw/zinc/53/24/52/1370532452.db2.gz DHJLDDGEZAGASA-SFHVURJKSA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc(OCC3CC[NH2+]CC3)cn2)cc1 ZINC001204626143 1370532684 /nfs/dbraw/zinc/53/26/84/1370532684.db2.gz VGXCLPKWFYNWEG-UHFFFAOYSA-N 2 0 325.456 3.189 20 0 EGADRP Brc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001204735148 1370559473 /nfs/dbraw/zinc/55/94/73/1370559473.db2.gz LTAXCNDVVUPBRM-UHFFFAOYSA-N 2 0 329.307 3.476 20 0 EGADRP Fc1ccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)c(F)c1Cl ZINC001204763446 1370570899 /nfs/dbraw/zinc/57/08/99/1370570899.db2.gz KMPDDSNRZHAEMB-UHFFFAOYSA-N 2 0 343.849 3.130 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115573208 1370575807 /nfs/dbraw/zinc/57/58/07/1370575807.db2.gz MSCLVMYUYIUIGL-SFHVURJKSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001204798798 1370578283 /nfs/dbraw/zinc/57/82/83/1370578283.db2.gz OGOJYCSPCQOATF-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CCOc1ccccc1N1CC[NH+](Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001204897513 1370599889 /nfs/dbraw/zinc/59/98/89/1370599889.db2.gz ZXLICINTDSVCEF-UHFFFAOYSA-N 2 0 337.467 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115601542 1370601171 /nfs/dbraw/zinc/60/11/71/1370601171.db2.gz GERPNZXUYKPVFR-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630202 1370622971 /nfs/dbraw/zinc/62/29/71/1370622971.db2.gz DYMNRCFSDAURFA-MRXNPFEDSA-N 2 0 346.450 3.105 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)c2occc2C[NH+](C)C)CCCCC1 ZINC001115696431 1370677946 /nfs/dbraw/zinc/67/79/46/1370677946.db2.gz WEROMJBXJBMTLE-UHFFFAOYSA-N 2 0 347.503 3.330 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697292 1370678632 /nfs/dbraw/zinc/67/86/32/1370678632.db2.gz BKUWEOUCDKHRTQ-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205220911 1370686453 /nfs/dbraw/zinc/68/64/53/1370686453.db2.gz NONUTIQPVKMEHW-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCCC2)c1 ZINC001115707902 1370686909 /nfs/dbraw/zinc/68/69/09/1370686909.db2.gz CFHGRADZEOFIBG-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242399 1370692821 /nfs/dbraw/zinc/69/28/21/1370692821.db2.gz OGJZYSINQAXTHR-ROUKRRSUSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)/C=C/c1ccncc1-c1ccc(OCCC[NH+](C)C)nc1 ZINC001205262166 1370699453 /nfs/dbraw/zinc/69/94/53/1370699453.db2.gz WRVIXKIZBJYQBK-FMIVXFBMSA-N 2 0 326.444 3.006 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115730454 1370712762 /nfs/dbraw/zinc/71/27/62/1370712762.db2.gz JVCAPYDIOXUAPA-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc3cc(Br)cnc3c2)C[C@H]1C[NH3+] ZINC001205319353 1370721301 /nfs/dbraw/zinc/72/13/01/1370721301.db2.gz ZGMHIQSNYXOFHN-SWLSCSKDSA-N 2 0 348.288 3.414 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)C(C)C ZINC001115776567 1370759542 /nfs/dbraw/zinc/75/95/42/1370759542.db2.gz UGZMWWYWPDROEX-KRWDZBQOSA-N 2 0 343.531 3.121 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461523 1370762370 /nfs/dbraw/zinc/76/23/70/1370762370.db2.gz LZEVLZLPIHFXHJ-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)nc1 ZINC001205543790 1370786701 /nfs/dbraw/zinc/78/67/01/1370786701.db2.gz DYLJNIFWUGLOQS-OAQYLSRUSA-N 2 0 336.483 3.315 20 0 EGADRP CCn1cc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001205545135 1370787128 /nfs/dbraw/zinc/78/71/28/1370787128.db2.gz WIGHAQKUPICNAA-UHFFFAOYSA-N 2 0 326.488 3.247 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001115806009 1370789845 /nfs/dbraw/zinc/78/98/45/1370789845.db2.gz LSHHFMBXDOGAQK-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205570098 1370795491 /nfs/dbraw/zinc/79/54/91/1370795491.db2.gz FUTSYPNOMSUYSK-HNNXBMFYSA-N 2 0 334.357 3.367 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)CC[C@H]1C[NH3+] ZINC001205601644 1370806176 /nfs/dbraw/zinc/80/61/76/1370806176.db2.gz FPGPFASQNMOZBW-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(F)cc2Br)CC[C@H]1C[NH3+] ZINC001205618296 1370812337 /nfs/dbraw/zinc/81/23/37/1370812337.db2.gz UGSPGSUHQUNPCW-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205627389 1370816449 /nfs/dbraw/zinc/81/64/49/1370816449.db2.gz PCBRJOCHVABUNH-DOTOQJQBSA-N 2 0 348.487 3.063 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1O ZINC001205651189 1370827410 /nfs/dbraw/zinc/82/74/10/1370827410.db2.gz AZALHDOUDOOKJD-AAEUAGOBSA-N 2 0 341.293 3.270 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC[C@@H]1C[NH3+] ZINC001205652304 1370828265 /nfs/dbraw/zinc/82/82/65/1370828265.db2.gz PEEVLJJWVKNCJL-QWHCGFSZSA-N 2 0 333.863 3.401 20 0 EGADRP COc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205671570 1370837873 /nfs/dbraw/zinc/83/78/73/1370837873.db2.gz CPNIBGARMMPAOR-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001205682766 1370841543 /nfs/dbraw/zinc/84/15/43/1370841543.db2.gz UQIDARAHXFXQBC-FQEVSTJZSA-N 2 0 344.430 3.294 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751420 1370859411 /nfs/dbraw/zinc/85/94/11/1370859411.db2.gz BGAJGMVXCQMMFG-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751942 1370860769 /nfs/dbraw/zinc/86/07/69/1370860769.db2.gz QFMUZQQSQKNPHE-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP COc1ccc(-c2cccc(CN3CCC(F)(F)[C@@H](C[NH3+])C3)n2)cc1 ZINC001205781727 1370867971 /nfs/dbraw/zinc/86/79/71/1370867971.db2.gz YGZOHKWQOSKZFV-HNNXBMFYSA-N 2 0 347.409 3.173 20 0 EGADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001205902279 1370904794 /nfs/dbraw/zinc/90/47/94/1370904794.db2.gz JMSILPDTILNFLZ-AAEUAGOBSA-N 2 0 336.277 3.490 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c2c(OC)cccc12 ZINC001205901040 1370905260 /nfs/dbraw/zinc/90/52/60/1370905260.db2.gz ATWZIJJCZNBBBV-LSDHHAIUSA-N 2 0 328.456 3.416 20 0 EGADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205917439 1370910195 /nfs/dbraw/zinc/91/01/95/1370910195.db2.gz YPZDVCRCVKCXHN-AAEUAGOBSA-N 2 0 334.357 3.483 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205924440 1370913466 /nfs/dbraw/zinc/91/34/66/1370913466.db2.gz SYWSFBCIUPKRDH-WMLDXEAASA-N 2 0 329.488 3.472 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981699 1370928817 /nfs/dbraw/zinc/92/88/17/1370928817.db2.gz FLXRFPKUYKAAIW-HMXCVIKNSA-N 3 0 329.532 3.205 20 0 EGADRP Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001116530109 1370930348 /nfs/dbraw/zinc/93/03/48/1370930348.db2.gz DFXFGWFXJJRMMU-CRAIPNDOSA-N 2 0 348.450 3.036 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(Oc3ncccn3)c2)CCC[C@@H]1C[NH3+] ZINC001205995226 1370933057 /nfs/dbraw/zinc/93/30/57/1370933057.db2.gz NIRMDBFHPBATHH-NVXWUHKLSA-N 2 0 326.444 3.076 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001205996110 1370933270 /nfs/dbraw/zinc/93/32/70/1370933270.db2.gz UURPDAHKVCRVMK-TZMCWYRMSA-N 2 0 341.293 3.265 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206007016 1370936393 /nfs/dbraw/zinc/93/63/93/1370936393.db2.gz WKTQWMYXSAPTOJ-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(=O)C(C)C ZINC001206015007 1370939094 /nfs/dbraw/zinc/93/90/94/1370939094.db2.gz ZGMHUXVIERDYBM-WBVHZDCISA-N 2 0 348.487 3.063 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206023292 1370940860 /nfs/dbraw/zinc/94/08/60/1370940860.db2.gz FQHWXUYVOPGSGS-UONOGXRCSA-N 2 0 338.879 3.324 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccnc(OCc3ccccc3)c2)CCC[C@H]1C[NH3+] ZINC001206036733 1370944839 /nfs/dbraw/zinc/94/48/39/1370944839.db2.gz PCWZGWSKAUKSFZ-PXNSSMCTSA-N 2 0 339.483 3.467 20 0 EGADRP O=C(C[NH2+][C@H]1CCCC12CCCCC2)NCC[NH+]1CCCCCC1 ZINC001206048384 1370948327 /nfs/dbraw/zinc/94/83/27/1370948327.db2.gz SWZBDVKFRHROHS-SFHVURJKSA-N 2 0 335.536 3.071 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC001206079910 1370956230 /nfs/dbraw/zinc/95/62/30/1370956230.db2.gz VXXCUUUANKEYTP-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC[C@H]1F ZINC001206174846 1370979755 /nfs/dbraw/zinc/97/97/55/1370979755.db2.gz PVRDINOWMSIFEV-CABCVRRESA-N 2 0 334.826 3.058 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206211298 1370993863 /nfs/dbraw/zinc/99/38/63/1370993863.db2.gz NBURDAGLGQNPTR-RBUKOAKNSA-N 2 0 329.419 3.018 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(Br)c1 ZINC001206311301 1371017673 /nfs/dbraw/zinc/01/76/73/1371017673.db2.gz MIRVWJNFLMJUKZ-INIZCTEOSA-N 2 0 341.293 3.409 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(Br)ccc(O)c2F)CC1 ZINC001206326867 1371024035 /nfs/dbraw/zinc/02/40/35/1371024035.db2.gz PXKHVHIOFFVTQC-OAHLLOKOSA-N 2 0 345.256 3.245 20 0 EGADRP Cc1ncc(Br)cc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206337943 1371026582 /nfs/dbraw/zinc/02/65/82/1371026582.db2.gz XCGFQROUDRISIZ-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001117714879 1371067908 /nfs/dbraw/zinc/06/79/08/1371067908.db2.gz PGDFKDASJQOBSL-MISYRCLQSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)C1 ZINC001206564857 1371095785 /nfs/dbraw/zinc/09/57/85/1371095785.db2.gz QPHBIDBDGPUDMU-GOSISDBHSA-N 2 0 334.414 3.306 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)s2)cc1 ZINC001206622525 1371111829 /nfs/dbraw/zinc/11/18/29/1371111829.db2.gz DVGDBQNCHCFEBL-CQSZACIVSA-N 2 0 331.485 3.380 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(C[NH2+]CC=C(C)C)CC1)C(C)C ZINC001206628701 1371113183 /nfs/dbraw/zinc/11/31/83/1371113183.db2.gz QXZUEPAUHPMOCY-LJQANCHMSA-N 2 0 337.552 3.147 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206649846 1371119979 /nfs/dbraw/zinc/11/99/79/1371119979.db2.gz ZXOKIBCWJNFYTA-INIZCTEOSA-N 2 0 325.456 3.318 20 0 EGADRP Clc1cccc(CC2CC[NH+](Cc3cn4c(n3)CNCC4)CC2)c1 ZINC001206703338 1371139654 /nfs/dbraw/zinc/13/96/54/1371139654.db2.gz IMZRVGWARBAWEX-UHFFFAOYSA-N 2 0 344.890 3.094 20 0 EGADRP c1ccc(-c2noc(CCC[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001118198428 1371145246 /nfs/dbraw/zinc/14/52/46/1371145246.db2.gz MYJQGXXIMWIVEC-UHFFFAOYSA-N 2 0 340.471 3.135 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001206779539 1371163271 /nfs/dbraw/zinc/16/32/71/1371163271.db2.gz IXUHFJZPJUDZEV-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP COc1ccc(-c2cc(C[N@H+](C)CC3CC[NH+](C)CC3)no2)cc1 ZINC001206827319 1371181483 /nfs/dbraw/zinc/18/14/83/1371181483.db2.gz KAAJLLFHNQGTNQ-UHFFFAOYSA-N 2 0 329.444 3.124 20 0 EGADRP O=c1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001207072540 1371285400 /nfs/dbraw/zinc/28/54/00/1371285400.db2.gz JFERWLGTHPJKOQ-OALUTQOASA-N 2 0 337.467 3.131 20 0 EGADRP Cc1noc(C)c1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001207136461 1371306202 /nfs/dbraw/zinc/30/62/02/1371306202.db2.gz ADXQXMDDKDENNO-UHFFFAOYSA-N 2 0 329.444 3.373 20 0 EGADRP CCn1ccnc1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001207141700 1371307895 /nfs/dbraw/zinc/30/78/95/1371307895.db2.gz OWSFCBGOHQCYMI-SFHVURJKSA-N 2 0 342.487 3.373 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001207281586 1371348593 /nfs/dbraw/zinc/34/85/93/1371348593.db2.gz FJGAQSFFTCKSMG-LJQANCHMSA-N 2 0 349.544 3.155 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207282812 1371349734 /nfs/dbraw/zinc/34/97/34/1371349734.db2.gz PSGVBUJUBUAIOY-UHFFFAOYSA-N 3 0 331.548 3.418 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001207288952 1371351248 /nfs/dbraw/zinc/35/12/48/1371351248.db2.gz FJMKUIXTTXHLQX-NHCUHLMSSA-N 2 0 328.500 3.400 20 0 EGADRP O[C@]1(CF)CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286347 1371351260 /nfs/dbraw/zinc/35/12/60/1371351260.db2.gz GPPZDMQEGINUHV-FQEVSTJZSA-N 2 0 334.479 3.085 20 0 EGADRP C[C@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001207288049 1371351621 /nfs/dbraw/zinc/35/16/21/1371351621.db2.gz ZLLHNCYFYYKALW-RXVVDRJESA-N 2 0 330.516 3.382 20 0 EGADRP c1nc2c(s1)C[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207291907 1371353059 /nfs/dbraw/zinc/35/30/59/1371353059.db2.gz GDEXQCAIHAGBLL-UHFFFAOYSA-N 2 0 327.497 3.413 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)CC1 ZINC001207397044 1371383685 /nfs/dbraw/zinc/38/36/85/1371383685.db2.gz CUVAAJRUKXLCGG-FQEVSTJZSA-N 2 0 328.500 3.367 20 0 EGADRP COC(=O)C[C@@H](C)[N@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207487946 1371411488 /nfs/dbraw/zinc/41/14/88/1371411488.db2.gz ZLCLXNRDSRRRFO-QGZVFWFLSA-N 2 0 332.488 3.172 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001207487987 1371411544 /nfs/dbraw/zinc/41/15/44/1371411544.db2.gz AREPZQFKBFWSPK-RTBURBONSA-N 2 0 329.532 3.313 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](CCc2ccc(C(C)C)cc2)CC1 ZINC001207517892 1371423359 /nfs/dbraw/zinc/42/33/59/1371423359.db2.gz HTPALQNDGDGSNG-UHFFFAOYSA-N 2 0 331.548 3.312 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207541175 1371430059 /nfs/dbraw/zinc/43/00/59/1371430059.db2.gz XGBZRHSVNWFNKT-RLLQIKCJSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540709 1371430829 /nfs/dbraw/zinc/43/08/29/1371430829.db2.gz ARDCXADNWRGTKJ-QRQLOZEOSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567876 1371438485 /nfs/dbraw/zinc/43/84/85/1371438485.db2.gz DSXQLLTUGZYJAQ-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)C[C@H]2C1 ZINC001119988981 1371443808 /nfs/dbraw/zinc/44/38/08/1371443808.db2.gz MOWFPISXZTUUCL-ARFHVFGLSA-N 2 0 330.501 3.096 20 0 EGADRP c1cc(CN2CCOC3(CC[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)co1 ZINC001207620561 1371454344 /nfs/dbraw/zinc/45/43/44/1371454344.db2.gz QZQLLKIAZISTFD-DFQSSKMNSA-N 2 0 342.483 3.159 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001120071141 1371477792 /nfs/dbraw/zinc/47/77/92/1371477792.db2.gz FZZJULHFFHWUSE-HSALFYBXSA-N 2 0 336.483 3.306 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120129438 1371491302 /nfs/dbraw/zinc/49/13/02/1371491302.db2.gz HSEGPZZXGDKUPO-OOFWQKGWSA-N 2 0 335.536 3.093 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCC3CCCC3)CCCCC2)C1 ZINC001120129701 1371492267 /nfs/dbraw/zinc/49/22/67/1371492267.db2.gz MDFHDFVVFWPOPR-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207769 1371503963 /nfs/dbraw/zinc/50/39/63/1371503963.db2.gz FCSPYTDSDMODTG-SFHVURJKSA-N 2 0 339.568 3.418 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208423 1371505478 /nfs/dbraw/zinc/50/54/78/1371505478.db2.gz ZEJQBLOQZQMNEH-SFHVURJKSA-N 2 0 337.552 3.460 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401030 1371562510 /nfs/dbraw/zinc/56/25/10/1371562510.db2.gz GEGHVNYPRQTTFB-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439651 1371577219 /nfs/dbraw/zinc/57/72/19/1371577219.db2.gz HTFIDKVQGPWXML-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439606 1371577504 /nfs/dbraw/zinc/57/75/04/1371577504.db2.gz HJIKTNARLJROIN-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120449443 1371580856 /nfs/dbraw/zinc/58/08/56/1371580856.db2.gz MGNUBZIPHHQIPE-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001120450552 1371581807 /nfs/dbraw/zinc/58/18/07/1371581807.db2.gz WMURKAHAKGEHOD-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073417 1371588435 /nfs/dbraw/zinc/58/84/35/1371588435.db2.gz BGQFRDXQRWYTBU-NKKNLYITSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208110496 1371597418 /nfs/dbraw/zinc/59/74/18/1371597418.db2.gz UBNWAUSCYOFEOE-CVEARBPZSA-N 2 0 339.524 3.048 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163210 1371614539 /nfs/dbraw/zinc/61/45/39/1371614539.db2.gz FNCKTTWCHYYYKZ-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163996 1371614855 /nfs/dbraw/zinc/61/48/55/1371614855.db2.gz NBIYOPHJHYDBFL-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP COc1ccc(CC[N@H+](C)CC2(C[NH+](C)C)CCCC2)cc1OC ZINC001208182371 1371623681 /nfs/dbraw/zinc/62/36/81/1371623681.db2.gz NNLJGNDEWZSYSK-UHFFFAOYSA-N 2 0 334.504 3.300 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447954 1371769749 /nfs/dbraw/zinc/76/97/49/1371769749.db2.gz UMXWRJIXEOFDEM-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C)[NH+](CC)CC ZINC001208574574 1371823842 /nfs/dbraw/zinc/82/38/42/1371823842.db2.gz AHGOUXZZCOUJHW-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](CC)CC ZINC001208576029 1371824434 /nfs/dbraw/zinc/82/44/34/1371824434.db2.gz ZTIZDFKMWLJYOJ-KZNAEPCWSA-N 2 0 339.568 3.370 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CC[NH+]3CCCC[C@@H]3C2)cc1 ZINC001208589605 1371829366 /nfs/dbraw/zinc/82/93/66/1371829366.db2.gz WSICFPKZLPFHRQ-RTWAWAEBSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001208602996 1371837216 /nfs/dbraw/zinc/83/72/16/1371837216.db2.gz QQAIMJXGDGCVTB-FQEVSTJZSA-N 2 0 344.499 3.174 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001208602997 1371837387 /nfs/dbraw/zinc/83/73/87/1371837387.db2.gz QQAIMJXGDGCVTB-HXUWFJFHSA-N 2 0 344.499 3.174 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001208613207 1371840337 /nfs/dbraw/zinc/84/03/37/1371840337.db2.gz RNVYIBDJBOMUSO-HXUWFJFHSA-N 2 0 343.559 3.444 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208749717 1371883257 /nfs/dbraw/zinc/88/32/57/1371883257.db2.gz VETCHGIZAVBGKR-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121237789 1371903836 /nfs/dbraw/zinc/90/38/36/1371903836.db2.gz GDXMETYFGCGXFA-UFQJCFOOSA-N 2 0 349.563 3.170 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC4(CCOC4)CC3)C2)cc1 ZINC001208931222 1371951163 /nfs/dbraw/zinc/95/11/63/1371951163.db2.gz IJFMYTMBRZLTCU-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP COC(=O)CC[C@H]1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940691 1371953043 /nfs/dbraw/zinc/95/30/43/1371953043.db2.gz VMTJFFXVTZABOW-PMACEKPBSA-N 2 0 344.499 3.174 20 0 EGADRP CC[N@H+](C)C1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208944301 1371956975 /nfs/dbraw/zinc/95/69/75/1371956975.db2.gz PFGDTXXCROYJFP-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP CO[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953296 1371960242 /nfs/dbraw/zinc/96/02/42/1371960242.db2.gz ZWPQPBQULSJTKC-JSXRDJHFSA-N 2 0 328.500 3.255 20 0 EGADRP Cc1nnc([C@@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001208955809 1371961585 /nfs/dbraw/zinc/96/15/85/1371961585.db2.gz FRIUCPDKLDMDHW-RTBURBONSA-N 2 0 340.471 3.080 20 0 EGADRP Cn1ccc(C2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208960062 1371961760 /nfs/dbraw/zinc/96/17/60/1371961760.db2.gz TYIGAQGVXSAWGJ-IBGZPJMESA-N 2 0 338.499 3.122 20 0 EGADRP c1ccc(C[NH+]2C[C@H]3C[NH+](CCc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC001209146479 1372013777 /nfs/dbraw/zinc/01/37/77/1372013777.db2.gz KHBORBNEMVZYKU-FGZHOGPDSA-N 2 0 348.490 3.228 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ccnc2C(C)C)C1 ZINC001209159253 1372018682 /nfs/dbraw/zinc/01/86/82/1372018682.db2.gz ZFAXWYGIAVNWRF-IKSUFZCESA-N 2 0 346.519 3.189 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209204728 1372038094 /nfs/dbraw/zinc/03/80/94/1372038094.db2.gz KRJCBIORQMNZKN-ZYHOBAKYSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223919 1372042192 /nfs/dbraw/zinc/04/21/92/1372042192.db2.gz XDTYLNVUJKZHNU-AZUAARDMSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)(C)CC1)C2 ZINC001121703213 1372051999 /nfs/dbraw/zinc/05/19/99/1372051999.db2.gz PSUUOCXRBKGSIB-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001209304588 1372064377 /nfs/dbraw/zinc/06/43/77/1372064377.db2.gz SOXGRLQTOLXTHS-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001209304589 1372065095 /nfs/dbraw/zinc/06/50/95/1372065095.db2.gz SOXGRLQTOLXTHS-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C[C@@H]1C[C@H]1C)CC2 ZINC001209417314 1372100476 /nfs/dbraw/zinc/10/04/76/1372100476.db2.gz VVMBCWSRHJDVPG-IKGGRYGDSA-N 2 0 349.544 3.102 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3NC2CC[NH+](C3CC3)CC2)cc1 ZINC001326405751 1388179414 /nfs/dbraw/zinc/17/94/14/1388179414.db2.gz GRIVCRIAJSMUER-QIDMFYOTSA-N 2 0 339.527 3.113 20 0 EGADRP O=C1N(c2ccsc2)CC[C@]12CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001209451538 1372109602 /nfs/dbraw/zinc/10/96/02/1372109602.db2.gz IGVSVTJPVCURCS-IBGZPJMESA-N 2 0 347.528 3.053 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)CCCCC1CC[NH2+]CC1)c1cccs1 ZINC001121897103 1372117520 /nfs/dbraw/zinc/11/75/20/1372117520.db2.gz IHVWRIJJFBSACS-INIZCTEOSA-N 2 0 337.533 3.027 20 0 EGADRP Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001209491236 1372118918 /nfs/dbraw/zinc/11/89/18/1372118918.db2.gz BNYRVCLNOOLNTC-BGYRXZFFSA-N 2 0 346.478 3.435 20 0 EGADRP Cc1n[nH]cc1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001209554819 1372136177 /nfs/dbraw/zinc/13/61/77/1372136177.db2.gz XVGYOZZKKUCHOK-GOSISDBHSA-N 2 0 328.460 3.188 20 0 EGADRP [NH3+][C@@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC001121991032 1372147316 /nfs/dbraw/zinc/14/73/16/1372147316.db2.gz LHTNWGDMRJGXGT-LJQANCHMSA-N 2 0 337.467 3.181 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001121995046 1372148436 /nfs/dbraw/zinc/14/84/36/1372148436.db2.gz OPTLGUXDAXTGRX-GICSWVMSSA-N 2 0 349.563 3.170 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001209613824 1372150900 /nfs/dbraw/zinc/15/09/00/1372150900.db2.gz KYKUGVTYMAKDEQ-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209659910 1372163632 /nfs/dbraw/zinc/16/36/32/1372163632.db2.gz KBZVVTPJCPMSSN-IPLHWJFFSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691065 1372171506 /nfs/dbraw/zinc/17/15/06/1372171506.db2.gz VAXTVLUQUKSVEQ-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cnccn2)CC3)cc1 ZINC001209786861 1372197543 /nfs/dbraw/zinc/19/75/43/1372197543.db2.gz LEHVAQVBJLFAQS-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133932 1372278137 /nfs/dbraw/zinc/27/81/37/1372278137.db2.gz UONXLEQNYNRKMW-PRPIBZDOSA-N 2 0 343.515 3.299 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179482 1372289075 /nfs/dbraw/zinc/28/90/75/1372289075.db2.gz OSSQISRUZJOOQG-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210183748 1372290806 /nfs/dbraw/zinc/29/08/06/1372290806.db2.gz ROUDMNYDWIMEPN-MONCILHSSA-N 2 0 337.552 3.435 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC001326445504 1388190626 /nfs/dbraw/zinc/19/06/26/1388190626.db2.gz WZQMUUXPKNFUKT-YCPHGPKFSA-N 2 0 336.549 3.247 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001210281989 1372313537 /nfs/dbraw/zinc/31/35/37/1372313537.db2.gz ASDHANCLSXKEGK-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(F)c2)C[C@H]1C ZINC001210499286 1372367211 /nfs/dbraw/zinc/36/72/11/1372367211.db2.gz VMRSVPKUKLGUEH-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]C[C@H](F)CC)C1 ZINC001210633597 1372396134 /nfs/dbraw/zinc/39/61/34/1372396134.db2.gz GFTACIHYRPLEDC-QZTJIDSGSA-N 2 0 343.531 3.217 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001210644357 1372398704 /nfs/dbraw/zinc/39/87/04/1372398704.db2.gz OJDQMUNVUQOKAL-VQTJNVASSA-N 2 0 343.515 3.226 20 0 EGADRP C[NH+]1CCN(c2ccccc2NC2=CC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC001210708988 1372411230 /nfs/dbraw/zinc/41/12/30/1372411230.db2.gz RIHWKIRSCKPKGG-LJQANCHMSA-N 2 0 340.515 3.383 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001210742653 1372417210 /nfs/dbraw/zinc/41/72/10/1372417210.db2.gz CZCGGDLSHOGVRT-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001210811434 1372431440 /nfs/dbraw/zinc/43/14/40/1372431440.db2.gz NXKCRMPOJIFNDG-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc3c(c2)C(=O)CCC3)CC1 ZINC001210933502 1372456698 /nfs/dbraw/zinc/45/66/98/1372456698.db2.gz VOULPDYTWVTUII-UHFFFAOYSA-N 2 0 336.439 3.096 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001211126899 1372487987 /nfs/dbraw/zinc/48/79/87/1372487987.db2.gz WQSFPNJFDGBPEI-FQEVSTJZSA-N 2 0 347.547 3.334 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211234361 1372508810 /nfs/dbraw/zinc/50/88/10/1372508810.db2.gz YIIIVVZYHQXUHB-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001211282444 1372519993 /nfs/dbraw/zinc/51/99/93/1372519993.db2.gz ALNTWMYZAPFRBN-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001326490092 1388214114 /nfs/dbraw/zinc/21/41/14/1388214114.db2.gz NDMAITRSRDNPHO-QGZVFWFLSA-N 2 0 331.504 3.238 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001326507770 1388223590 /nfs/dbraw/zinc/22/35/90/1388223590.db2.gz JTQAPWIYMUHVEM-MKXGPGLRSA-N 2 0 337.552 3.027 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780427 1373117946 /nfs/dbraw/zinc/11/79/46/1373117946.db2.gz ZQMTUGQJFGSVIB-WUYYXPQKSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856027 1373131156 /nfs/dbraw/zinc/13/11/56/1373131156.db2.gz VEZYIIDKJXZNNP-QRTFGMIHSA-N 2 0 335.536 3.042 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001214948245 1373146636 /nfs/dbraw/zinc/14/66/36/1373146636.db2.gz MJKWLQLCZXTTMI-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001216846554 1373350600 /nfs/dbraw/zinc/35/06/00/1373350600.db2.gz LWFXXQNWBBQBCZ-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846471 1373351163 /nfs/dbraw/zinc/35/11/63/1373351163.db2.gz GWXNSSBWMCQHJD-VJQBDMSCSA-N 2 0 349.563 3.290 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[NH2+]Cc2ccc(C3CCCC3)cc2)CCC1 ZINC001129356206 1373374423 /nfs/dbraw/zinc/37/44/23/1373374423.db2.gz DJIYXGIXOABJFV-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001129423984 1373382464 /nfs/dbraw/zinc/38/24/64/1373382464.db2.gz ZKNFTMJULXPLSR-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CC[C@H](OC[C@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C[NH2+]1 ZINC001217910243 1373511284 /nfs/dbraw/zinc/51/12/84/1373511284.db2.gz IDNDKJTUPSQJLZ-LMNJBCLMSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@H]1C[NH2+]CC[C@@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217916536 1373512308 /nfs/dbraw/zinc/51/23/08/1373512308.db2.gz IDZMNCDMURFENO-RXVVDRJESA-N 2 0 346.515 3.456 20 0 EGADRP c1cc(OCC[NH+]2CCCCCC2)ccc1CO[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925002 1373512328 /nfs/dbraw/zinc/51/23/28/1373512328.db2.gz OBKAOURLTDYFLX-HMXCVIKNSA-N 2 0 344.499 3.208 20 0 EGADRP CC1CCC(C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001130622721 1373571821 /nfs/dbraw/zinc/57/18/21/1373571821.db2.gz WYQMOBKFMKSOBP-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccn2c[nH+]cc2c1 ZINC001130874565 1373600385 /nfs/dbraw/zinc/60/03/85/1373600385.db2.gz DMQUZJSOFAPDOK-UHFFFAOYSA-N 2 0 344.418 3.007 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)c1cccc(Cl)c1 ZINC001131370680 1373685491 /nfs/dbraw/zinc/68/54/91/1373685491.db2.gz QYHPEJNEIVHCQB-ZDUSSCGKSA-N 2 0 342.830 3.068 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cccc2c(Cl)ccnc12 ZINC001219116028 1373688314 /nfs/dbraw/zinc/68/83/14/1373688314.db2.gz IPEUEIXGMNUUGS-HNNXBMFYSA-N 2 0 348.878 3.322 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(C(C)C)cc1C(F)(F)F ZINC001219266309 1373697447 /nfs/dbraw/zinc/69/74/47/1373697447.db2.gz FLEUCGFIBDFTPM-HNNXBMFYSA-N 2 0 345.409 3.484 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)[C@@H]1CCCC[NH2+]1 ZINC001219486383 1373711368 /nfs/dbraw/zinc/71/13/68/1373711368.db2.gz IXNXAOOUQPGWMB-UXHICEINSA-N 2 0 341.499 3.110 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848335 1373798440 /nfs/dbraw/zinc/79/84/40/1373798440.db2.gz KSRLHSFBJHHWKG-VAMGGRTRSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1F ZINC001131798866 1373810071 /nfs/dbraw/zinc/81/00/71/1373810071.db2.gz ATTXANYEDGIBCC-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1F ZINC001131822472 1373823924 /nfs/dbraw/zinc/82/39/24/1373823924.db2.gz OLBPVSBVIJWNRI-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)cc1 ZINC001131836892 1373829657 /nfs/dbraw/zinc/82/96/57/1373829657.db2.gz FPEFGHCIBLCCOC-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001326823099 1388321263 /nfs/dbraw/zinc/32/12/63/1388321263.db2.gz RFOUEPKTOHYPDC-GOSISDBHSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001326844633 1388328375 /nfs/dbraw/zinc/32/83/75/1388328375.db2.gz FIOXSZOGLWBYOH-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001223928921 1375047772 /nfs/dbraw/zinc/04/77/72/1375047772.db2.gz LNKLWEVXHGTKSW-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001225228226 1375098526 /nfs/dbraw/zinc/09/85/26/1375098526.db2.gz HWFPYDVGPLFHSM-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CCCCC1 ZINC001132105466 1375149838 /nfs/dbraw/zinc/14/98/38/1375149838.db2.gz HLEOUUIHPHNLRO-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC1CCCC1 ZINC001132107541 1375151587 /nfs/dbraw/zinc/15/15/87/1375151587.db2.gz ZZXORDRBPMFWTM-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132157564 1375175907 /nfs/dbraw/zinc/17/59/07/1375175907.db2.gz QUNDDMVMEHHXMU-NVXWUHKLSA-N 2 0 328.460 3.107 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132174410 1375188385 /nfs/dbraw/zinc/18/83/85/1375188385.db2.gz UXOKTEJJVYBYOG-FPZRGXOSSA-N 2 0 340.471 3.273 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CC1CC1 ZINC001132206641 1375209185 /nfs/dbraw/zinc/20/91/85/1375209185.db2.gz MLKXXCWUUBUCLT-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132249453 1375244067 /nfs/dbraw/zinc/24/40/67/1375244067.db2.gz PCBCSMZLYLCMND-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCC1CCCCC1 ZINC001132269664 1375258052 /nfs/dbraw/zinc/25/80/52/1375258052.db2.gz NINXXBXUGVAOSE-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001226554863 1375280377 /nfs/dbraw/zinc/28/03/77/1375280377.db2.gz TVQZMDCEQQXBDU-HZPDHXFCSA-N 2 0 337.533 3.240 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340053 1375319339 /nfs/dbraw/zinc/31/93/39/1375319339.db2.gz MFPUJHMFWFZXIH-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC)C1 ZINC001132364629 1375328007 /nfs/dbraw/zinc/32/80/07/1375328007.db2.gz CZYBLGZNUMYSSW-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001226765359 1375328828 /nfs/dbraw/zinc/32/88/28/1375328828.db2.gz BVHHZSOGVJRXEE-VAMGGRTRSA-N 2 0 347.547 3.377 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001226766179 1375329269 /nfs/dbraw/zinc/32/92/69/1375329269.db2.gz IQGAKOQZFZFEBH-BHIYHBOVSA-N 2 0 343.515 3.249 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)CCC1 ZINC001226790906 1375336260 /nfs/dbraw/zinc/33/62/60/1375336260.db2.gz HRGZNWKJFYKRKT-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132410940 1375360033 /nfs/dbraw/zinc/36/00/33/1375360033.db2.gz QAZBOSKRLHPFHV-CSXIPAGWSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCCC1CCC1 ZINC001132434605 1375379381 /nfs/dbraw/zinc/37/93/81/1375379381.db2.gz ZFPFMBJBFCTJHI-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132440735 1375385441 /nfs/dbraw/zinc/38/54/41/1375385441.db2.gz FHMNFTMRWQXGTF-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001227150646 1375397322 /nfs/dbraw/zinc/39/73/22/1375397322.db2.gz XIRXOJDQQNDIKC-QXAKKESOSA-N 2 0 345.531 3.495 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132493174 1375423878 /nfs/dbraw/zinc/42/38/78/1375423878.db2.gz JXEVWXCCGBQKQP-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)cc1C ZINC001132519328 1375437470 /nfs/dbraw/zinc/43/74/70/1375437470.db2.gz WUYFXSCYOWOZRT-AZUAARDMSA-N 2 0 345.531 3.113 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524496 1375440901 /nfs/dbraw/zinc/44/09/01/1375440901.db2.gz HYFXZRPIEWBFSV-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227618695 1375454769 /nfs/dbraw/zinc/45/47/69/1375454769.db2.gz IGSJGMVKVQEFIM-KRWDZBQOSA-N 2 0 343.531 3.073 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548491 1375455665 /nfs/dbraw/zinc/45/56/65/1375455665.db2.gz DOSMGPIYCARJPA-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227750453 1375470993 /nfs/dbraw/zinc/47/09/93/1375470993.db2.gz HYABOYYTPWWOLL-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227798268 1375477144 /nfs/dbraw/zinc/47/71/44/1375477144.db2.gz VVQFTBDSTLSGOM-UXHICEINSA-N 2 0 343.515 3.059 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001227899730 1375489439 /nfs/dbraw/zinc/48/94/39/1375489439.db2.gz BTZVXEQTTCEIAT-OSFIAYCASA-N 2 0 335.536 3.234 20 0 EGADRP C[N@@H+]1CC[C@@H](Oc2ccc(C[NH+]3CCCCC3)c3cccnc23)C1 ZINC001228375020 1375559648 /nfs/dbraw/zinc/55/96/48/1375559648.db2.gz VBLPUZCVXLWFJF-QGZVFWFLSA-N 2 0 325.456 3.304 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790656 1375566056 /nfs/dbraw/zinc/56/60/56/1375566056.db2.gz IZXIRTSCXWIGMJ-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001132794675 1375568802 /nfs/dbraw/zinc/56/88/02/1375568802.db2.gz FFFAUUDIYFZASN-YLJYHZDGSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415997 1375569068 /nfs/dbraw/zinc/56/90/68/1375569068.db2.gz XTJMBLFVAZUENP-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415610 1375569555 /nfs/dbraw/zinc/56/95/55/1375569555.db2.gz PPXHVAIFWROJKJ-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228416161 1375569668 /nfs/dbraw/zinc/56/96/68/1375569668.db2.gz ZJABKYKMFANMJD-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001228646365 1375625898 /nfs/dbraw/zinc/62/58/98/1375625898.db2.gz DXKOGNUZLCSRBD-AQNXPRMDSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1)[NH+](C)C ZINC001228646965 1375626351 /nfs/dbraw/zinc/62/63/51/1375626351.db2.gz MHIYKWTZYRPYOS-QRVBRYPASA-N 2 0 349.494 3.013 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001132889156 1375628205 /nfs/dbraw/zinc/62/82/05/1375628205.db2.gz XKOMLSDRKQTSQX-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950817 1375668025 /nfs/dbraw/zinc/66/80/25/1375668025.db2.gz QTUGFVMCQBPWCL-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133069119 1375756663 /nfs/dbraw/zinc/75/66/63/1375756663.db2.gz OVKWYKIPBYQEEM-YZBXUTEPSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133072050 1375758583 /nfs/dbraw/zinc/75/85/83/1375758583.db2.gz DONSXIXPLCONJG-YZPMEYCISA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001133072042 1375758644 /nfs/dbraw/zinc/75/86/44/1375758644.db2.gz DLLNCHKVSWPFIY-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133120800 1375786404 /nfs/dbraw/zinc/78/64/04/1375786404.db2.gz BGROQGJPXMLWIJ-MSOLQXFVSA-N 2 0 337.552 3.005 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC001229231673 1375791184 /nfs/dbraw/zinc/79/11/84/1375791184.db2.gz SMOSWMNHFRZUKT-DFQSSKMNSA-N 2 0 345.531 3.415 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001229287160 1375800991 /nfs/dbraw/zinc/80/09/91/1375800991.db2.gz KTRVKUUMHKHQHF-XOIGSVRCSA-N 2 0 335.536 3.092 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463160 1375840855 /nfs/dbraw/zinc/84/08/55/1375840855.db2.gz ZNMXMLNWGRGGLS-SFFCAUCYSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133224819 1375853200 /nfs/dbraw/zinc/85/32/00/1375853200.db2.gz FCRZORNOVBHIEC-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229664215 1375874236 /nfs/dbraw/zinc/87/42/36/1375874236.db2.gz KFNCASZSLQSQSO-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133261439 1375876490 /nfs/dbraw/zinc/87/64/90/1375876490.db2.gz AOBRJIQZYCGUCF-OALUTQOASA-N 2 0 339.568 3.229 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133263252 1375879435 /nfs/dbraw/zinc/87/94/35/1375879435.db2.gz RLLOPEZDTQUICP-YZPMEYCISA-N 2 0 337.552 3.149 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001133287053 1375897625 /nfs/dbraw/zinc/89/76/25/1375897625.db2.gz DPGHUVOVGWGIDO-HNNXBMFYSA-N 2 0 346.302 3.102 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001229853840 1375903957 /nfs/dbraw/zinc/90/39/57/1375903957.db2.gz XHSQUBYUUNMDED-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001133314934 1375918238 /nfs/dbraw/zinc/91/82/38/1375918238.db2.gz QFQLNPWCGUQUHJ-AZUAARDMSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133334439 1375929954 /nfs/dbraw/zinc/92/99/54/1375929954.db2.gz XJKQXXBSRRUVSC-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](C/C=C\Cl)CC1 ZINC001230017476 1375931456 /nfs/dbraw/zinc/93/14/56/1375931456.db2.gz WXCJMBKKNWRDMM-POHAHGRESA-N 2 0 343.943 3.222 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](C[C@H](F)CC)CC1 ZINC001230017452 1375932186 /nfs/dbraw/zinc/93/21/86/1375932186.db2.gz VYYLVJIDBLMZBJ-QGZVFWFLSA-N 2 0 343.531 3.217 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC001230274682 1375980717 /nfs/dbraw/zinc/98/07/17/1375980717.db2.gz FSSPDCZZNZYTCE-KFKAGJAMSA-N 2 0 349.494 3.244 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001230287161 1375986266 /nfs/dbraw/zinc/98/62/66/1375986266.db2.gz XXDBPAVKGOGQOC-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001133404093 1375990210 /nfs/dbraw/zinc/99/02/10/1375990210.db2.gz XLZULYFRGFBGRU-UHFFFAOYSA-N 2 0 339.911 3.010 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230334820 1376000652 /nfs/dbraw/zinc/00/06/52/1376000652.db2.gz AEJBYQGJAATRFX-IPMKNSEASA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377908 1376010396 /nfs/dbraw/zinc/01/03/96/1376010396.db2.gz COSHXJQRWRVOCA-ZMBJWTFHSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230377924 1376010910 /nfs/dbraw/zinc/01/09/10/1376010910.db2.gz DDGGVKUUZKQJAH-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP Nc1[nH]c2ccc(O[C@@H]3CC[N@H+](Cc4ccccc4Cl)C3)cc2[nH+]1 ZINC001230518348 1376049929 /nfs/dbraw/zinc/04/99/29/1376049929.db2.gz PMEMTSUWYVWTDP-CQSZACIVSA-N 2 0 342.830 3.452 20 0 EGADRP CC/C=C/CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230617513 1376103851 /nfs/dbraw/zinc/10/38/51/1376103851.db2.gz BQWSBTNTGUBKRZ-ROUKRRSUSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC001133819759 1376217504 /nfs/dbraw/zinc/21/75/04/1376217504.db2.gz NOWBIVZRZLFJQE-DLBZAZTESA-N 2 0 331.504 3.061 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001133823698 1376219295 /nfs/dbraw/zinc/21/92/95/1376219295.db2.gz MJZWADLDNCVVJQ-QGZVFWFLSA-N 2 0 343.515 3.034 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(Br)c[nH]1)CC2 ZINC001231579932 1376269905 /nfs/dbraw/zinc/26/99/05/1376269905.db2.gz NLCLIFNLIMCYOU-UHFFFAOYSA-N 2 0 326.282 3.085 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC001133965837 1376288022 /nfs/dbraw/zinc/28/80/22/1376288022.db2.gz MBJZFVIGQHWUPD-ABAIWWIYSA-N 2 0 346.302 3.100 20 0 EGADRP C[NH+](C)CCN1CC[NH+](Cc2ccccc2-c2ccc(F)cc2)CC1 ZINC001231822099 1376322510 /nfs/dbraw/zinc/32/25/10/1376322510.db2.gz IOHDFEBYJMYSIF-UHFFFAOYSA-N 2 0 341.474 3.172 20 0 EGADRP Cc1sc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1Br ZINC001232295979 1376434309 /nfs/dbraw/zinc/43/43/09/1376434309.db2.gz QNDCNCZVBFKPOF-UHFFFAOYSA-N 2 0 329.307 3.347 20 0 EGADRP Cc1ccc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1C ZINC001232364021 1376450161 /nfs/dbraw/zinc/45/01/61/1376450161.db2.gz RDNUUFHURQKAKV-UHFFFAOYSA-N 2 0 338.499 3.082 20 0 EGADRP COc1cc(Br)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001233215758 1376588718 /nfs/dbraw/zinc/58/87/18/1376588718.db2.gz VFTWNYIRHOSPKJ-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP c1nn2ccccc2c1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001233239899 1376599355 /nfs/dbraw/zinc/59/93/55/1376599355.db2.gz XDHSCCCYFLRZCU-UHFFFAOYSA-N 2 0 346.478 3.432 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1=CCCCC1 ZINC001134584191 1376608446 /nfs/dbraw/zinc/60/84/46/1376608446.db2.gz RMMKOLOTAXIQLB-SJORKVTESA-N 2 0 335.536 3.234 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001134773661 1376713605 /nfs/dbraw/zinc/71/36/05/1376713605.db2.gz QDUKRKCGLHXTJG-QZTJIDSGSA-N 2 0 347.547 3.141 20 0 EGADRP Cc1cnccc1O[C@H]1CC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001234024692 1376756781 /nfs/dbraw/zinc/75/67/81/1376756781.db2.gz KIUJLSLCLPFVMT-INIZCTEOSA-N 2 0 335.407 3.297 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892615 1376770953 /nfs/dbraw/zinc/77/09/53/1376770953.db2.gz NTTNTRBVQZXLST-CVEARBPZSA-N 2 0 330.476 3.401 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993597 1376832775 /nfs/dbraw/zinc/83/27/75/1376832775.db2.gz JVCKAVVJHXJIHM-HZPDHXFCSA-N 2 0 330.476 3.257 20 0 EGADRP CCCCCCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035540 1376833394 /nfs/dbraw/zinc/83/33/94/1376833394.db2.gz FIUVAEMUICQCLT-TZIWHRDSSA-N 2 0 346.515 3.456 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999825 1376835749 /nfs/dbraw/zinc/83/57/49/1376835749.db2.gz UZMQTBPIKJIJBX-HZPDHXFCSA-N 2 0 330.476 3.401 20 0 EGADRP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235040001 1376838778 /nfs/dbraw/zinc/83/87/78/1376838778.db2.gz KAAFIKQSBRSOGQ-FGZHOGPDSA-N 2 0 336.479 3.472 20 0 EGADRP O=c1[nH]cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c2ccccc12 ZINC001235243074 1376862791 /nfs/dbraw/zinc/86/27/91/1376862791.db2.gz VSACGXJLYKBSGL-IBGZPJMESA-N 2 0 325.456 3.295 20 0 EGADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C[C@@H]2CCCC[NH2+]2)C3)c1 ZINC001235630247 1376880015 /nfs/dbraw/zinc/88/00/15/1376880015.db2.gz WWSIOPFALIQEEP-VQTJNVASSA-N 2 0 331.479 3.008 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCCCF)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081115 1376883317 /nfs/dbraw/zinc/88/33/17/1376883317.db2.gz GYARCDNFCNDVNA-IAGOWNOFSA-N 2 0 343.531 3.264 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1)[NH2+]CC1CCCC1 ZINC001135081005 1376884104 /nfs/dbraw/zinc/88/41/04/1376884104.db2.gz FMFQAOXGVQADMS-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135100699 1376898301 /nfs/dbraw/zinc/89/83/01/1376898301.db2.gz GERCETCTBIWMDH-ZWKOTPCHSA-N 2 0 339.568 3.418 20 0 EGADRP CCCCc1ccc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)s1 ZINC001235816770 1376899048 /nfs/dbraw/zinc/89/90/48/1376899048.db2.gz ZGNPXAZIAJXFGA-UHFFFAOYSA-N 2 0 335.561 3.350 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159808 1388469623 /nfs/dbraw/zinc/46/96/23/1388469623.db2.gz LWXIJDIOZFAKBU-VXOKQSJXSA-N 2 0 349.563 3.243 20 0 EGADRP Nc1ccc2c(c1)[nH]nc2C[N@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236230338 1376942896 /nfs/dbraw/zinc/94/28/96/1376942896.db2.gz LBTIZTZYRXTNLR-UHFFFAOYSA-N 2 0 349.482 3.417 20 0 EGADRP Fc1cccc(CN(CC2CC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001236389693 1376951411 /nfs/dbraw/zinc/95/14/11/1376951411.db2.gz CDYIMCQPRJVQER-HXUWFJFHSA-N 2 0 345.506 3.160 20 0 EGADRP [NH3+]Cc1cccc(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)c1 ZINC001236388448 1376951763 /nfs/dbraw/zinc/95/17/63/1376951763.db2.gz DYQLIJIEXLCQAM-FQEVSTJZSA-N 2 0 327.447 3.039 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167610 1388471467 /nfs/dbraw/zinc/47/14/67/1388471467.db2.gz WUMOWLFEBMUOAP-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCOc1ccc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC001236652144 1376958919 /nfs/dbraw/zinc/95/89/19/1376958919.db2.gz LBGKFDCVJZKQEY-HXUWFJFHSA-N 2 0 345.531 3.124 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CCC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001189167075 1388471865 /nfs/dbraw/zinc/47/18/65/1388471865.db2.gz AGCBRESHOGGHQI-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+](Cc1c[nH]c2cc(C(=O)OCC)ccc12)C[C@@H]1CC[NH2+]C1 ZINC001236843277 1376967200 /nfs/dbraw/zinc/96/72/00/1376967200.db2.gz GQBIHANRWVFBLN-OAHLLOKOSA-N 2 0 343.471 3.166 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297905 1377026356 /nfs/dbraw/zinc/02/63/56/1377026356.db2.gz JQCIXSGMPUKVED-IAGOWNOFSA-N 2 0 335.536 3.092 20 0 EGADRP CCc1ccccc1CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314565 1377033680 /nfs/dbraw/zinc/03/36/80/1377033680.db2.gz CTGWXFUVGJYDPD-ROUUACIJSA-N 2 0 347.547 3.006 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCC[NH+](C)C ZINC001135316325 1377034243 /nfs/dbraw/zinc/03/42/43/1377034243.db2.gz UEVNTMHPADTNRU-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CCc1ccc(CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135317341 1377034724 /nfs/dbraw/zinc/03/47/24/1377034724.db2.gz XYWCFIJUCDNOMM-ROUUACIJSA-N 2 0 347.547 3.006 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001246161899 1377050437 /nfs/dbraw/zinc/05/04/37/1377050437.db2.gz BJCHBFHGRDUFJJ-INIZCTEOSA-N 2 0 325.294 3.415 20 0 EGADRP COc1ccc(C2([NH2+][C@@H]3Cc4cccc(F)c4C3)CC[NH2+]CC2)cc1 ZINC001246380728 1377051466 /nfs/dbraw/zinc/05/14/66/1377051466.db2.gz MIEMZLHBZXDQOE-QGZVFWFLSA-N 2 0 340.442 3.170 20 0 EGADRP CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)CC[C@@H]21 ZINC001246761299 1377054419 /nfs/dbraw/zinc/05/44/19/1377054419.db2.gz AHQMZEYXSPNDTB-NZGUISNBSA-N 2 0 327.516 3.461 20 0 EGADRP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246749358 1377054496 /nfs/dbraw/zinc/05/44/96/1377054496.db2.gz WCIUDBJSACUOPH-FTEYMNFISA-N 2 0 345.556 3.319 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])Cc1nc(-c2ccc(F)c3ccccc23)no1 ZINC001248220743 1377067417 /nfs/dbraw/zinc/06/74/17/1377067417.db2.gz MERIRSCQPJKWOK-LBPRGKRZSA-N 2 0 328.391 3.028 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511170 1377105727 /nfs/dbraw/zinc/10/57/27/1377105727.db2.gz WUSKPVCQIHFUMM-VAMGGRTRSA-N 3 0 333.495 3.382 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4ccccc4c3)CC2)CC1 ZINC001254529205 1377106781 /nfs/dbraw/zinc/10/67/81/1377106781.db2.gz KYWVXUQGTWKRMF-QFIPXVFZSA-N 2 0 337.511 3.442 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471258 1377108802 /nfs/dbraw/zinc/10/88/02/1377108802.db2.gz JIZRRDWRZNMBEO-QZTJIDSGSA-N 2 0 347.547 3.323 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1)C(C)C ZINC001135474670 1377110085 /nfs/dbraw/zinc/11/00/85/1377110085.db2.gz WVXMRYFSDJOLCV-IEBWSBKVSA-N 2 0 333.520 3.128 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)C(C)C ZINC001135474051 1377110233 /nfs/dbraw/zinc/11/02/33/1377110233.db2.gz FUKUZAQUZGWUTQ-HXUWFJFHSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476389 1377111025 /nfs/dbraw/zinc/11/10/25/1377111025.db2.gz KFUWIGJPEYNNAM-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC1CCCCCC1)C(C)C ZINC001135477319 1377111475 /nfs/dbraw/zinc/11/14/75/1377111475.db2.gz BVRZSVRLUWPLHP-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135706637 1377190564 /nfs/dbraw/zinc/19/05/64/1377190564.db2.gz XVTFSISLGGNUGL-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135706635 1377190636 /nfs/dbraw/zinc/19/06/36/1377190636.db2.gz XVTFSISLGGNUGL-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767544 1377206295 /nfs/dbraw/zinc/20/62/95/1377206295.db2.gz FLMULRVYSBCGPH-RTBURBONSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001266144593 1377206760 /nfs/dbraw/zinc/20/67/60/1377206760.db2.gz WBFNCSMOTPOCAU-ZWKOTPCHSA-N 2 0 345.531 3.497 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135900701 1377254964 /nfs/dbraw/zinc/25/49/64/1377254964.db2.gz AEUQONDYUOFVFL-PJHKVULZSA-N 2 0 349.563 3.338 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901175 1377255373 /nfs/dbraw/zinc/25/53/73/1377255373.db2.gz FHAUUONEYJBRNN-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944572 1377272635 /nfs/dbraw/zinc/27/26/35/1377272635.db2.gz MBWVLORXFBJOHZ-HUUCEWRRSA-N 2 0 346.519 3.070 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944870 1377273734 /nfs/dbraw/zinc/27/37/34/1377273734.db2.gz RQCKMMNZFOQYGX-CABCVRRESA-N 2 0 334.508 3.070 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135977176 1377284641 /nfs/dbraw/zinc/28/46/41/1377284641.db2.gz QIRYJQJTCYXVJW-RTBURBONSA-N 2 0 347.547 3.327 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135979019 1377284943 /nfs/dbraw/zinc/28/49/43/1377284943.db2.gz AXBWLYBYPYEINQ-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135980930 1377285928 /nfs/dbraw/zinc/28/59/28/1377285928.db2.gz VBMYUCSHLRKLTB-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995546 1377292192 /nfs/dbraw/zinc/29/21/92/1377292192.db2.gz HRTAJGNQQMZXNV-AQRBRUGDSA-N 2 0 325.541 3.338 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001135997189 1377292917 /nfs/dbraw/zinc/29/29/17/1377292917.db2.gz ZTDQOWNTIIYCBP-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001266546871 1377330280 /nfs/dbraw/zinc/33/02/80/1377330280.db2.gz YLOAGFIVEUFFQL-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001266853241 1377394837 /nfs/dbraw/zinc/39/48/37/1377394837.db2.gz IRGINUHBFIXPGC-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C(C)C)[NH+](C)C ZINC001268224319 1377497940 /nfs/dbraw/zinc/49/79/40/1377497940.db2.gz SBMOMTDNXISVER-RTBURBONSA-N 2 0 339.568 3.273 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001269291531 1377547930 /nfs/dbraw/zinc/54/79/30/1377547930.db2.gz GPUGVTWRLYSEOE-SJORKVTESA-N 2 0 349.494 3.151 20 0 EGADRP c1nc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599495 1377570101 /nfs/dbraw/zinc/57/01/01/1377570101.db2.gz XBBPDFMGINLYRW-QZTJIDSGSA-N 2 0 327.497 3.487 20 0 EGADRP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cncnc2)CC3)c1 ZINC001137665753 1377585763 /nfs/dbraw/zinc/58/57/63/1377585763.db2.gz BTYMPJKYEITLMQ-UHFFFAOYSA-N 2 0 328.485 3.026 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1)c1ccccc1 ZINC001271591306 1377642409 /nfs/dbraw/zinc/64/24/09/1377642409.db2.gz JKQQMYQAAWRMLA-AEFFLSMTSA-N 2 0 340.471 3.074 20 0 EGADRP Cc1ccc(F)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1Cl ZINC001138027989 1377668043 /nfs/dbraw/zinc/66/80/43/1377668043.db2.gz RPHICYUYAWQQRM-UHFFFAOYSA-N 2 0 343.918 3.493 20 0 EGADRP Oc1cccnc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001138397605 1377717415 /nfs/dbraw/zinc/71/74/15/1377717415.db2.gz XEWKMAPQKRPLBI-RTBURBONSA-N 2 0 337.467 3.131 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccnc(Br)c2)CC1 ZINC001138734840 1377775678 /nfs/dbraw/zinc/77/56/78/1377775678.db2.gz RLZHQZWBLPSVSU-UHFFFAOYSA-N 2 0 340.309 3.396 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)cc1 ZINC001138774117 1377782315 /nfs/dbraw/zinc/78/23/15/1377782315.db2.gz ZBOPPTDDOYTQAB-FQEVSTJZSA-N 2 0 340.467 3.063 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001138768503 1377782480 /nfs/dbraw/zinc/78/24/80/1377782480.db2.gz XSCQGNYKEUJYQH-UHFFFAOYSA-N 2 0 340.515 3.484 20 0 EGADRP FC1CC2(C1)CC[NH+](Cc1cccc(CN3CCOCC3)c1)CC2 ZINC001139054861 1377822548 /nfs/dbraw/zinc/82/25/48/1377822548.db2.gz IKZBNJUGJSQZSJ-UHFFFAOYSA-N 2 0 332.463 3.233 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3c(ccn3C)c2)CC1 ZINC001139190784 1377847266 /nfs/dbraw/zinc/84/72/66/1377847266.db2.gz WPSGZHSBWYTGHU-FQEVSTJZSA-N 2 0 341.499 3.254 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4ccc(Br)cc4[nH]3)C[C@@H]2C1 ZINC001139472803 1377890492 /nfs/dbraw/zinc/89/04/92/1377890492.db2.gz MHLYUFLADKZMGR-KGLIPLIRSA-N 2 0 348.288 3.314 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(Cl)ccnc1Cl ZINC001139480203 1377892390 /nfs/dbraw/zinc/89/23/90/1377892390.db2.gz WZJOZZZZQGOVQY-UHFFFAOYSA-N 2 0 347.334 3.094 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139894967 1377974418 /nfs/dbraw/zinc/97/44/18/1377974418.db2.gz MVZDELKBCXUZPI-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP CCC[NH+]1C[C@@H]2CN(Cc3ccc(OC)c(OCC4CC4)c3)C[C@H]2C1 ZINC001140491572 1378071575 /nfs/dbraw/zinc/07/15/75/1378071575.db2.gz GWYJBAUIWPTSME-RTBURBONSA-N 2 0 344.499 3.258 20 0 EGADRP CCCCN1CC[C@@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716906 1378080006 /nfs/dbraw/zinc/08/00/06/1378080006.db2.gz MFKIUSPYSAIOJB-NRFANRHFSA-N 2 0 349.563 3.367 20 0 EGADRP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001275164099 1378136172 /nfs/dbraw/zinc/13/61/72/1378136172.db2.gz CHOMKMVVDHAKKH-NRFANRHFSA-N 2 0 340.515 3.017 20 0 EGADRP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275634289 1378148902 /nfs/dbraw/zinc/14/89/02/1378148902.db2.gz ONWJWFWDFUOBQW-FQEVSTJZSA-N 2 0 349.950 3.498 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276163318 1378168801 /nfs/dbraw/zinc/16/88/01/1378168801.db2.gz VIPCBKCERZFHBG-KDURUIRLSA-N 2 0 338.499 3.263 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](C)CC2)CCC1(F)F ZINC001140969940 1378196023 /nfs/dbraw/zinc/19/60/23/1378196023.db2.gz AFHMXHPGIRQFGB-MRXNPFEDSA-N 2 0 337.458 3.306 20 0 EGADRP Cc1ccc2c(c1)C[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)CC2 ZINC001140969235 1378196572 /nfs/dbraw/zinc/19/65/72/1378196572.db2.gz ZVLQWXWSXHOCMA-UHFFFAOYSA-N 2 0 335.495 3.305 20 0 EGADRP CCc1ccccc1CN1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001141229729 1378278013 /nfs/dbraw/zinc/27/80/13/1378278013.db2.gz PUSTYHLZRXLWQK-IBGZPJMESA-N 2 0 344.499 3.098 20 0 EGADRP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282667234 1378540366 /nfs/dbraw/zinc/54/03/66/1378540366.db2.gz XDXYLLLOIGRERJ-OALUTQOASA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)CC(C)(C)C ZINC001143140335 1378546200 /nfs/dbraw/zinc/54/62/00/1378546200.db2.gz NJFPVQXDEOBAKW-ROUUACIJSA-N 2 0 339.568 3.323 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001143769585 1378644402 /nfs/dbraw/zinc/64/44/02/1378644402.db2.gz JOXSCOUQBAKJQG-IBGZPJMESA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC(CC)CC)C2 ZINC001282977978 1378695272 /nfs/dbraw/zinc/69/52/72/1378695272.db2.gz RYGWPYQIQMQKDA-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP COc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)nc1 ZINC001144431098 1378730974 /nfs/dbraw/zinc/73/09/74/1378730974.db2.gz PKGXHYPACNIAGX-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001146337513 1378819819 /nfs/dbraw/zinc/81/98/19/1378819819.db2.gz CWOAQRRFPBSOHK-MSOLQXFVSA-N 2 0 345.531 3.279 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398714 1378835280 /nfs/dbraw/zinc/83/52/80/1378835280.db2.gz RCRKOUHGQWARJP-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533499 1378861117 /nfs/dbraw/zinc/86/11/17/1378861117.db2.gz GQWXFAPNILSTEM-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]CC1=CCCCC1 ZINC001146534446 1378861323 /nfs/dbraw/zinc/86/13/23/1378861323.db2.gz JKQVQPURIHSXRV-MSOLQXFVSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001146601113 1378876079 /nfs/dbraw/zinc/87/60/79/1378876079.db2.gz KBHQGQLVQYLDJM-SJORKVTESA-N 2 0 345.531 3.277 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146609648 1378877571 /nfs/dbraw/zinc/87/75/71/1378877571.db2.gz FTCMHNJYLGRQRI-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001146611638 1378877724 /nfs/dbraw/zinc/87/77/24/1378877724.db2.gz NFCNEXIUCTVDQB-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146611651 1378878224 /nfs/dbraw/zinc/87/82/24/1378878224.db2.gz NILQNCKGUVXQFI-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701561 1378900798 /nfs/dbraw/zinc/90/07/98/1378900798.db2.gz NGBNFIUDMLDQKW-WYNBNGFRSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001283510144 1378993853 /nfs/dbraw/zinc/99/38/53/1378993853.db2.gz OEDJCMPWFLXIQW-LPHOPBHVSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001147358658 1379008168 /nfs/dbraw/zinc/00/81/68/1379008168.db2.gz HUSUXXGWSLFTBA-PMACEKPBSA-N 2 0 345.531 3.498 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147987116 1379103276 /nfs/dbraw/zinc/10/32/76/1379103276.db2.gz YDWLEGRRMGROOH-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001283704595 1379130029 /nfs/dbraw/zinc/13/00/29/1379130029.db2.gz NVEDOEBKDPYNMI-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2)[NH+](CC)CC ZINC001148286720 1379146131 /nfs/dbraw/zinc/14/61/31/1379146131.db2.gz XFJALNSQMRBDCT-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148551945 1379209204 /nfs/dbraw/zinc/20/92/04/1379209204.db2.gz YMVJQQWAXAFPBH-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC001148638943 1379232640 /nfs/dbraw/zinc/23/26/40/1379232640.db2.gz UTANMIGXWGNLPP-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCC1CCCC1)C2 ZINC001148657176 1379236402 /nfs/dbraw/zinc/23/64/02/1379236402.db2.gz OXMPARYZJNMTJL-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001149041437 1379314686 /nfs/dbraw/zinc/31/46/86/1379314686.db2.gz DIJIOZGVAUXBEK-YZGWKJHDSA-N 2 0 345.531 3.258 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361274 1379704760 /nfs/dbraw/zinc/70/47/60/1379704760.db2.gz CLDIMNOTTQBJNY-GOSISDBHSA-N 2 0 331.504 3.028 20 0 EGADRP CC1(C)CCC(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001151361293 1379705042 /nfs/dbraw/zinc/70/50/42/1379705042.db2.gz DGRHTBAJXHELDQ-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)(C)c1ccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001152223682 1379889194 /nfs/dbraw/zinc/88/91/94/1379889194.db2.gz NPBYAKYQBZQQPK-UHFFFAOYSA-N 2 0 345.531 3.066 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001284642240 1380048173 /nfs/dbraw/zinc/04/81/73/1380048173.db2.gz MQSNEFZUSHDZQJ-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153490871 1380084317 /nfs/dbraw/zinc/08/43/17/1380084317.db2.gz FHPRMYKXRROVLG-ZHALLVOQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1F ZINC001153728681 1380119319 /nfs/dbraw/zinc/11/93/19/1380119319.db2.gz RFKIMASBCUUZTP-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153727947 1380119478 /nfs/dbraw/zinc/11/94/78/1380119478.db2.gz ITWNZQRWPIKLOO-COQIJWMOSA-N 2 0 337.552 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C ZINC001153727609 1380119503 /nfs/dbraw/zinc/11/95/03/1380119503.db2.gz DSGJFQBWVWWCAF-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854803 1380144363 /nfs/dbraw/zinc/14/43/63/1380144363.db2.gz XSNILFBNFYGPMW-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879934 1380149073 /nfs/dbraw/zinc/14/90/73/1380149073.db2.gz PHHOJURUKWQJHA-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990880 1380172782 /nfs/dbraw/zinc/17/27/82/1380172782.db2.gz WGZWBWQWOZDKHJ-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC)cc1 ZINC001154069432 1380198712 /nfs/dbraw/zinc/19/87/12/1380198712.db2.gz DMFMSMSMANDKRN-QGZVFWFLSA-N 2 0 347.547 3.306 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC2=CCCCC2)C1 ZINC001154784208 1380350613 /nfs/dbraw/zinc/35/06/13/1380350613.db2.gz AWIPVGVOTAQFNW-QUCCMNQESA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226667 1380426701 /nfs/dbraw/zinc/42/67/01/1380426701.db2.gz MNKKGKCUDIGMIY-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227145 1380426875 /nfs/dbraw/zinc/42/68/75/1380426875.db2.gz VVYGOYRLXBRHRA-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838748 1380497949 /nfs/dbraw/zinc/49/79/49/1380497949.db2.gz DHWAYAHSBBMZOG-TVRKMHQQSA-N 2 0 345.531 3.235 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)CC ZINC001155877941 1380501881 /nfs/dbraw/zinc/50/18/81/1380501881.db2.gz OSTYOXWBIWTNIS-ZWKOTPCHSA-N 2 0 327.557 3.371 20 0 EGADRP COc1ccc(CCCNc2cccc(N3CCC([NH3+])CC3)[nH+]2)cc1 ZINC001156169008 1380535568 /nfs/dbraw/zinc/53/55/68/1380535568.db2.gz PLTXMWKPBNMUNN-UHFFFAOYSA-N 2 0 340.471 3.062 20 0 EGADRP CC[NH+](CCCc1ccccc1C)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156199595 1380540821 /nfs/dbraw/zinc/54/08/21/1380540821.db2.gz BPBHSTYWCWGGRU-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@H+](CC)CC(C)C ZINC001156319215 1380558093 /nfs/dbraw/zinc/55/80/93/1380558093.db2.gz QJDDQIHZFYXCTD-GOSISDBHSA-N 2 0 327.557 3.371 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374333 1380566603 /nfs/dbraw/zinc/56/66/03/1380566603.db2.gz OOOODIHDLYEFGK-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098438 1380775470 /nfs/dbraw/zinc/77/54/70/1380775470.db2.gz GAOZTZWKERGWBD-GOSISDBHSA-N 2 0 335.536 3.189 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109516 1380777113 /nfs/dbraw/zinc/77/71/13/1380777113.db2.gz PYHKVVFTROYIML-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109236 1380777431 /nfs/dbraw/zinc/77/74/31/1380777431.db2.gz KEPNIMKQBGQRNI-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109332 1380777596 /nfs/dbraw/zinc/77/75/96/1380777596.db2.gz NELLYNDBIDKPCD-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109039 1380777660 /nfs/dbraw/zinc/77/76/60/1380777660.db2.gz HHRULWBKZNNPFQ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256284 1380824800 /nfs/dbraw/zinc/82/48/00/1380824800.db2.gz RRGSIOBCWDXWOM-JLAWEPINSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157964929 1381083985 /nfs/dbraw/zinc/08/39/85/1381083985.db2.gz INTRFGNVIJNOQT-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082314 1381123292 /nfs/dbraw/zinc/12/32/92/1381123292.db2.gz BOAINOQVYIKATA-RBUKOAKNSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090120 1381124770 /nfs/dbraw/zinc/12/47/70/1381124770.db2.gz JDWZVFKAVNUVAI-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](C/C=C/Cl)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185203 1381151544 /nfs/dbraw/zinc/15/15/44/1381151544.db2.gz CCUMTZNWNBTVBC-IEXSPKMKSA-N 2 0 346.862 3.013 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001158283464 1381184127 /nfs/dbraw/zinc/18/41/27/1381184127.db2.gz MBJDXPMMLDAXMA-GOSISDBHSA-N 2 0 337.552 3.364 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCCC2CCC2)C1 ZINC001158474307 1381257578 /nfs/dbraw/zinc/25/75/78/1381257578.db2.gz XBUWIRPRNAGXTR-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486464 1381264408 /nfs/dbraw/zinc/26/44/08/1381264408.db2.gz DKLNNCUIVABQGR-MSOLQXFVSA-N 2 0 325.541 3.076 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158625311 1381328974 /nfs/dbraw/zinc/32/89/74/1381328974.db2.gz NDABBGHPVIFKLQ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@H](C)CC(C)C ZINC001158786854 1381399731 /nfs/dbraw/zinc/39/97/31/1381399731.db2.gz IJUNLLHBIIWTAO-RTBURBONSA-N 2 0 339.568 3.323 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC001159123115 1381620653 /nfs/dbraw/zinc/62/06/53/1381620653.db2.gz WPEPQDZHRCFGBY-UHFFFAOYSA-N 2 0 339.487 3.077 20 0 EGADRP [NH3+][C@H]1CCc2nc(Nc3ccc(C4CC[NH2+]CC4)cc3)sc2C1 ZINC001159138518 1381652229 /nfs/dbraw/zinc/65/22/29/1381652229.db2.gz HJYOCBKRCDTEJH-AWEZNQCLSA-N 2 0 328.485 3.170 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001159164865 1381690020 /nfs/dbraw/zinc/69/00/20/1381690020.db2.gz OPTFKFOCFISEIJ-UHFFFAOYSA-N 2 0 339.487 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001159335336 1381767831 /nfs/dbraw/zinc/76/78/31/1381767831.db2.gz YKORYLFZGOEJIR-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC001159339778 1381770935 /nfs/dbraw/zinc/77/09/35/1381770935.db2.gz NJXOILOHISNZLU-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc([C@H]3CCC[NH2+]3)cc2)CC1 ZINC001159365198 1381778233 /nfs/dbraw/zinc/77/82/33/1381778233.db2.gz ATCIZBITTQJZDR-GOSISDBHSA-N 3 0 337.471 3.002 20 0 EGADRP [NH3+]C1(c2ccc(Nc3cccc(CN4CC[NH2+]CC4)c3)cc2)CCC1 ZINC001159729299 1381882782 /nfs/dbraw/zinc/88/27/82/1381882782.db2.gz FJPOFIGWCASKGJ-UHFFFAOYSA-N 2 0 336.483 3.173 20 0 EGADRP CC[NH+](CC)CCn1cc(Nc2cccc(C3CC[NH2+]CC3)c2)cn1 ZINC001159756585 1381890689 /nfs/dbraw/zinc/89/06/89/1381890689.db2.gz AFMUFQGEQCFBFN-UHFFFAOYSA-N 2 0 341.503 3.436 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC001159838225 1381917006 /nfs/dbraw/zinc/91/70/06/1381917006.db2.gz JVPSSWXQWRSEQS-UYAOXDASSA-N 2 0 345.531 3.130 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC[NH2+]Cc2ccc(C3CCC3)cc2)CCC1 ZINC001159854183 1381920469 /nfs/dbraw/zinc/92/04/69/1381920469.db2.gz LPUANHLROVNYHD-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001159909218 1381934447 /nfs/dbraw/zinc/93/44/47/1381934447.db2.gz LMIZJZJZVVKKOP-IAGOWNOFSA-N 2 0 349.494 3.246 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909188 1381934726 /nfs/dbraw/zinc/93/47/26/1381934726.db2.gz KYUYQXIXEWWXKN-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP Brc1ccc(Nc2ccc3c[nH+]cn3c2)c2c1CC[NH2+]C2 ZINC001159942851 1381943249 /nfs/dbraw/zinc/94/32/49/1381943249.db2.gz YHAOMDNEACIRBU-UHFFFAOYSA-N 2 0 343.228 3.486 20 0 EGADRP CC(C)([NH3+])c1ccc(N(c2c(N)cccc2F)C2CC[NH2+]CC2)cc1 ZINC001160046403 1381979735 /nfs/dbraw/zinc/97/97/35/1381979735.db2.gz HIEGZSGYEUVVBR-UHFFFAOYSA-N 2 0 342.462 3.492 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120383 1382003291 /nfs/dbraw/zinc/00/32/91/1382003291.db2.gz MBARDMWPFOCSRX-FQEVSTJZSA-N 2 0 349.563 3.434 20 0 EGADRP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2ccc3[nH+]ccn3c2)c1 ZINC001160134971 1382010218 /nfs/dbraw/zinc/01/02/18/1382010218.db2.gz MWYIMMHPAXIMOP-UHFFFAOYSA-N 2 0 326.375 3.348 20 0 EGADRP Cc1cc(N)[nH+]cc1Nc1cccc(F)c1OCC1CC[NH2+]CC1 ZINC001160194767 1382029648 /nfs/dbraw/zinc/02/96/48/1382029648.db2.gz GQQFUJDXXADTRR-UHFFFAOYSA-N 2 0 330.407 3.233 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)c1F ZINC001160232834 1382042510 /nfs/dbraw/zinc/04/25/10/1382042510.db2.gz FKQIODAMSMUMOA-HNNXBMFYSA-N 2 0 329.419 3.420 20 0 EGADRP COc1ccc2c(Nc3cccc4c3[C@@H]3C[NH2+]C[C@@H]3O4)cc[nH+]c2c1 ZINC001160397412 1382093632 /nfs/dbraw/zinc/09/36/32/1382093632.db2.gz YFWYYWOIXRQZLA-KUHUBIRLSA-N 2 0 333.391 3.435 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400200 1382094356 /nfs/dbraw/zinc/09/43/56/1382094356.db2.gz LENQWZUPHFKRHE-MJGOQNOKSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400198 1382094396 /nfs/dbraw/zinc/09/43/96/1382094396.db2.gz LENQWZUPHFKRHE-HKUYNNGSSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519284 1382130472 /nfs/dbraw/zinc/13/04/72/1382130472.db2.gz YVRBIDQTKFUAFV-CMDGGOBGSA-N 2 0 335.536 3.211 20 0 EGADRP CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C)cc1 ZINC001160751327 1382187044 /nfs/dbraw/zinc/18/70/44/1382187044.db2.gz WGMDEIAHPILVEF-WOJBJXKFSA-N 2 0 347.547 3.190 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001160889281 1382225998 /nfs/dbraw/zinc/22/59/98/1382225998.db2.gz GVXYTUFZPXLUFY-VQIMIIECSA-N 2 0 347.547 3.481 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001161106746 1382299019 /nfs/dbraw/zinc/29/90/19/1382299019.db2.gz JEJZUAKLTGFSFX-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001161106744 1382299100 /nfs/dbraw/zinc/29/91/00/1382299100.db2.gz JEJZUAKLTGFSFX-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001161133199 1382313944 /nfs/dbraw/zinc/31/39/44/1382313944.db2.gz DXFNSEBPZSNXJE-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161220196 1382346699 /nfs/dbraw/zinc/34/66/99/1382346699.db2.gz YMMQKPBCAPMCQP-RBUKOAKNSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219665 1382346901 /nfs/dbraw/zinc/34/69/01/1382346901.db2.gz KHKUEJRUZGUOQL-AATRIKPKSA-N 2 0 347.547 3.213 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001161239558 1382351418 /nfs/dbraw/zinc/35/14/18/1382351418.db2.gz JLFSRNFOTHMYIJ-MJGOQNOKSA-N 2 0 337.552 3.147 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553530 1382438563 /nfs/dbraw/zinc/43/85/63/1382438563.db2.gz CZASIWZFGFZJBM-PLNGDYQASA-N 2 0 347.547 3.213 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001161643808 1382468219 /nfs/dbraw/zinc/46/82/19/1382468219.db2.gz BOZMQWZHDDKJDQ-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001161733794 1382491805 /nfs/dbraw/zinc/49/18/05/1382491805.db2.gz KKAWTTGCMDBCCD-UHFFFAOYSA-N 2 0 343.515 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001161758610 1382496931 /nfs/dbraw/zinc/49/69/31/1382496931.db2.gz IQRIUZBJVWTXRV-SFHVURJKSA-N 2 0 343.515 3.228 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001161878770 1382537786 /nfs/dbraw/zinc/53/77/86/1382537786.db2.gz APZDPGIXRKFHSV-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP C[NH+](C)[C@@H](CNc1cc[nH+]cc1C(F)(F)F)c1cccc(F)c1 ZINC001161924097 1382553968 /nfs/dbraw/zinc/55/39/68/1382553968.db2.gz NCNKFMHZXJAXKL-HNNXBMFYSA-N 2 0 327.325 3.376 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952134 1382567102 /nfs/dbraw/zinc/56/71/02/1382567102.db2.gz DKGAVPMZSHTOIP-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001328659334 1388800088 /nfs/dbraw/zinc/80/00/88/1388800088.db2.gz GLTNLZVDRNUHBV-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(Br)cc2c[nH+]cn21 ZINC001162470770 1382767274 /nfs/dbraw/zinc/76/72/74/1382767274.db2.gz MBUKNCRYKAKMLH-NEPJUHHUSA-N 2 0 337.265 3.144 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001328693119 1388810381 /nfs/dbraw/zinc/81/03/81/1388810381.db2.gz GRFUTLNKDOGMJV-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617995 1382812176 /nfs/dbraw/zinc/81/21/76/1382812176.db2.gz YVJAISLWPPGWMR-INIZCTEOSA-N 2 0 336.439 3.113 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(N2C[C@H]([NH3+])Cc3ccccc32)nc1 ZINC001162844843 1382892681 /nfs/dbraw/zinc/89/26/81/1382892681.db2.gz OLUGZQHRQFANPP-QFBILLFUSA-N 2 0 336.483 3.478 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001162909476 1382912324 /nfs/dbraw/zinc/91/23/24/1382912324.db2.gz XNKWEPWSNLCCFR-HNNXBMFYSA-N 2 0 338.455 3.376 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)c1 ZINC001162910201 1382913533 /nfs/dbraw/zinc/91/35/33/1382913533.db2.gz QXGSUSHQATUKEV-CXAGYDPISA-N 2 0 346.438 3.117 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]c1ccc3[nH]c(=O)cc-3[nH]1)CC21CC[NH2+]CC1 ZINC001163033362 1382952004 /nfs/dbraw/zinc/95/20/04/1382952004.db2.gz DPPLJNBQRRLDJL-GOSISDBHSA-N 2 0 348.450 3.063 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(-c2cc(C)ccc2C)nn1 ZINC001163128201 1382971208 /nfs/dbraw/zinc/97/12/08/1382971208.db2.gz DTQUHCGKIHOTBY-UHFFFAOYSA-N 2 0 340.475 3.039 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163275029 1383010558 /nfs/dbraw/zinc/01/05/58/1383010558.db2.gz NLVRQTRMFOHHQM-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H](C)C1 ZINC001163371655 1383035958 /nfs/dbraw/zinc/03/59/58/1383035958.db2.gz RWRWPKSRQTUPOB-QFBILLFUSA-N 3 0 346.519 3.085 20 0 EGADRP Cc1cc2ccccc2c(N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)[nH+]1 ZINC001163457471 1383055820 /nfs/dbraw/zinc/05/58/20/1383055820.db2.gz XLCQLOKTIHIEMP-SFHVURJKSA-N 2 0 340.471 3.075 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163821632 1383125802 /nfs/dbraw/zinc/12/58/02/1383125802.db2.gz NNIJBXBDALQTDS-PKOBYXMFSA-N 2 0 343.515 3.026 20 0 EGADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC001164499129 1383193977 /nfs/dbraw/zinc/19/39/77/1383193977.db2.gz LQOUEBARONKRNU-GIOGAUJUSA-N 2 0 336.483 3.424 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164535910 1383197051 /nfs/dbraw/zinc/19/70/51/1383197051.db2.gz CCQDBSIVPQTFOS-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH3+])C(F)(F)C2)nc1 ZINC001165127127 1383233389 /nfs/dbraw/zinc/23/33/89/1383233389.db2.gz CMYVZURXGJEJQV-HZPDHXFCSA-N 2 0 338.446 3.191 20 0 EGADRP Cc1[nH+]c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc2[nH]ccc21 ZINC001165418343 1383291605 /nfs/dbraw/zinc/29/16/05/1383291605.db2.gz QGSFBXCNONGPHE-NQIIRXRSSA-N 2 0 332.451 3.455 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165465011 1383298841 /nfs/dbraw/zinc/29/88/41/1383298841.db2.gz PZJHNNDSXSUQFR-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165484150 1383300872 /nfs/dbraw/zinc/30/08/72/1383300872.db2.gz AAIFVPOMOFOAQH-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165492652 1383303085 /nfs/dbraw/zinc/30/30/85/1383303085.db2.gz XWDGXQRSQRXKIA-WAYWQWQTSA-N 2 0 335.536 3.093 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165568248 1383311529 /nfs/dbraw/zinc/31/15/29/1383311529.db2.gz GMHXHFABNKYQOX-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001165718885 1383331429 /nfs/dbraw/zinc/33/14/29/1383331429.db2.gz RRPOMUHOCPYUDN-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)c2cccc3nccn32)CC1 ZINC001166138125 1383394360 /nfs/dbraw/zinc/39/43/60/1383394360.db2.gz FHUJBQJAXPBQES-ONEGZZNKSA-N 2 0 340.471 3.180 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391621 1383418407 /nfs/dbraw/zinc/41/84/07/1383418407.db2.gz WWZMDTPXLFOOCC-ZRHASKPBSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1c(C)cccc1C)[NH+](CC)CC ZINC001166424406 1383421008 /nfs/dbraw/zinc/42/10/08/1383421008.db2.gz GHHIELWWYQHRCW-IBGZPJMESA-N 2 0 333.520 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1c(C)cccc1C ZINC001328779941 1388856290 /nfs/dbraw/zinc/85/62/90/1388856290.db2.gz JAQHDHOZFTYTDX-LJQANCHMSA-N 2 0 345.531 3.068 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCCC[NH2+]CCCC(C)(C)C)cc1 ZINC001166736315 1383468357 /nfs/dbraw/zinc/46/83/57/1383468357.db2.gz JIOJTXVOABZNFK-UHFFFAOYSA-N 2 0 347.547 3.327 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1)CC(C)(C)C ZINC001166744356 1383469895 /nfs/dbraw/zinc/46/98/95/1383469895.db2.gz SDNVKSYEKYELLI-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001166843875 1383486220 /nfs/dbraw/zinc/48/62/20/1383486220.db2.gz ZXPQUIKKFQRNEI-HKUYNNGSSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)c1ccccc1F ZINC001166883777 1383494113 /nfs/dbraw/zinc/49/41/13/1383494113.db2.gz XQPACGYABXJBCD-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP [NH3+][C@H]1CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1(F)F ZINC001166958698 1383504707 /nfs/dbraw/zinc/50/47/07/1383504707.db2.gz HQDLKXWKISOFLO-KRWDZBQOSA-N 2 0 342.393 3.257 20 0 EGADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001166971464 1383506757 /nfs/dbraw/zinc/50/67/57/1383506757.db2.gz NNRYNTUXIKNUMZ-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385788 1383618815 /nfs/dbraw/zinc/61/88/15/1383618815.db2.gz TZIFGILQBXPEGG-GOSISDBHSA-N 2 0 335.536 3.093 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167391804 1383621427 /nfs/dbraw/zinc/62/14/27/1383621427.db2.gz STSJOPVKSRHNPQ-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425059 1383630178 /nfs/dbraw/zinc/63/01/78/1383630178.db2.gz AAWXFPSRQDZEAI-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[C@@]1(C)CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167509427 1383654742 /nfs/dbraw/zinc/65/47/42/1383654742.db2.gz NCOYDBIFPVFUMG-CTNGQTDRSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599258 1383685169 /nfs/dbraw/zinc/68/51/69/1383685169.db2.gz DALQZYXCOCEDQK-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001167626431 1383692625 /nfs/dbraw/zinc/69/26/25/1383692625.db2.gz AIXIWNXQLFXEJL-MEJUDOHFSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001167626656 1383692718 /nfs/dbraw/zinc/69/27/18/1383692718.db2.gz DSFOKFQFDDAZNI-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001167636344 1383694718 /nfs/dbraw/zinc/69/47/18/1383694718.db2.gz SRHZOERXWAAZDT-APWZRJJASA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001167655387 1383700288 /nfs/dbraw/zinc/70/02/88/1383700288.db2.gz ONUZMGSANTWHFE-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001167694589 1383713176 /nfs/dbraw/zinc/71/31/76/1383713176.db2.gz NMKGCZPGSARRFL-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742812 1383727300 /nfs/dbraw/zinc/72/73/00/1383727300.db2.gz YGERHRDVAUEESU-ASIGSXEYSA-N 2 0 349.563 3.339 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccccc1Cn1cc[nH+]c1N ZINC001167753095 1383730275 /nfs/dbraw/zinc/73/02/75/1383730275.db2.gz CKEZMZPSWYQPRO-INIZCTEOSA-N 2 0 327.476 3.190 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 ZINC001167826705 1383750267 /nfs/dbraw/zinc/75/02/67/1383750267.db2.gz QJHAMRLIKQJZNG-BJLQDIEVSA-N 2 0 343.515 3.092 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001167828095 1383751035 /nfs/dbraw/zinc/75/10/35/1383751035.db2.gz WIOYYTDYOGBTAN-DYESRHJHSA-N 2 0 343.515 3.117 20 0 EGADRP CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]1C ZINC001167834812 1383753119 /nfs/dbraw/zinc/75/31/19/1383753119.db2.gz MWFCVRIETCFJDB-BZSNNMDCSA-N 2 0 326.525 3.408 20 0 EGADRP CCC(=O)N(CC)C1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167834649 1383753351 /nfs/dbraw/zinc/75/33/51/1383753351.db2.gz LMRDDTJNFCTQKG-QGZVFWFLSA-N 2 0 325.541 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001167836368 1383755370 /nfs/dbraw/zinc/75/53/70/1383755370.db2.gz YPTHWQXAKVDKFM-RLLQIKCJSA-N 2 0 346.515 3.386 20 0 EGADRP COc1cccc(OC)c1-c1ccccc1NC(=[NH2+])NCCCC[NH3+] ZINC001167884521 1383765253 /nfs/dbraw/zinc/76/52/53/1383765253.db2.gz WIBSFIJUCQZXBW-UHFFFAOYSA-N 2 0 342.443 3.046 20 0 EGADRP COc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964501 1383780793 /nfs/dbraw/zinc/78/07/93/1383780793.db2.gz RINYLTLOCUOLBQ-AYHJJNSGSA-N 2 0 330.472 3.069 20 0 EGADRP c1ccc2c(c1)OC[C@@H](CC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)O2 ZINC001167978641 1383785510 /nfs/dbraw/zinc/78/55/10/1383785510.db2.gz QBCUNTMKMAEMMQ-XVLXNVKGSA-N 2 0 342.483 3.212 20 0 EGADRP Cc1cccc(O[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001168002446 1383792829 /nfs/dbraw/zinc/79/28/29/1383792829.db2.gz SOUYLTIOZQBDTB-JIRNRHONSA-N 2 0 341.499 3.249 20 0 EGADRP C[C@@H]1CC([NH2+]CC2CC[NH+](C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009317 1383796332 /nfs/dbraw/zinc/79/63/32/1383796332.db2.gz ZXSNSMRYLMQOMN-QZTJIDSGSA-N 3 0 329.532 3.359 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168023896 1383799666 /nfs/dbraw/zinc/79/96/66/1383799666.db2.gz YWWALAGSJGRYET-QQXMDYFESA-N 2 0 344.499 3.359 20 0 EGADRP CCOC(=O)[C@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168056806 1383805732 /nfs/dbraw/zinc/80/57/32/1383805732.db2.gz IRRRZGSTSZRXQI-LMMKCTJWSA-N 2 0 344.499 3.313 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(NC2(C)CC[NH2+]CC2)c1 ZINC001168189216 1383839341 /nfs/dbraw/zinc/83/93/41/1383839341.db2.gz MGFFRZLHJVSVFQ-UHFFFAOYSA-N 2 0 326.282 3.065 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168290347 1383864397 /nfs/dbraw/zinc/86/43/97/1383864397.db2.gz DLMKAWLUTVRYQI-ROUUACIJSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001168290836 1383865568 /nfs/dbraw/zinc/86/55/68/1383865568.db2.gz KILCPEMUBKQWSR-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001168315543 1383871798 /nfs/dbraw/zinc/87/17/98/1383871798.db2.gz YGBMLCHQIZLJSY-KLAILNCOSA-N 2 0 339.524 3.238 20 0 EGADRP CC1(C)CC(C[NH2+]CC2(CCNC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001168321154 1383872270 /nfs/dbraw/zinc/87/22/70/1383872270.db2.gz ZPAVEIVCALBCCX-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168335627 1383875939 /nfs/dbraw/zinc/87/59/39/1383875939.db2.gz NFEOPEJCXPVEQR-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335914 1383876708 /nfs/dbraw/zinc/87/67/08/1383876708.db2.gz ZLLQRQGNWWZOEP-RURPWVQCSA-N 2 0 349.563 3.483 20 0 EGADRP CC[C@H](CC[NH2+]C1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001168363045 1383883228 /nfs/dbraw/zinc/88/32/28/1383883228.db2.gz RINNJIDIJGEESB-MRXNPFEDSA-N 2 0 339.524 3.144 20 0 EGADRP COCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC(F)(F)CC1 ZINC001168365828 1383884043 /nfs/dbraw/zinc/88/40/43/1383884043.db2.gz XQHZNOBBQHABLJ-UHFFFAOYSA-N 2 0 330.463 3.293 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168371612 1383887322 /nfs/dbraw/zinc/88/73/22/1383887322.db2.gz PJQZJHNNIBIXKL-XMSQKQJNSA-N 2 0 341.543 3.361 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[C@@H]([NH+](C)C)CC3)CCO2)cc1 ZINC001168624263 1383951375 /nfs/dbraw/zinc/95/13/75/1383951375.db2.gz NHYCSIYXGJOKOW-XSYGEPLQSA-N 2 0 332.488 3.378 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CCC1CCCC1)C(C)C ZINC001168653611 1383959291 /nfs/dbraw/zinc/95/92/91/1383959291.db2.gz XIMOAGOQFMAPKE-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001168842574 1384031518 /nfs/dbraw/zinc/03/15/18/1384031518.db2.gz XSBYAOKGUXCKTG-OAHLLOKOSA-N 2 0 335.455 3.254 20 0 EGADRP CCN(CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC001307862488 1384045366 /nfs/dbraw/zinc/04/53/66/1384045366.db2.gz AIRYBXGKJMJZAL-QGZVFWFLSA-N 2 0 346.437 3.271 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(OC(=O)C(C)(C)C)cc1)C2 ZINC001169081736 1384103816 /nfs/dbraw/zinc/10/38/16/1384103816.db2.gz VORAEONOLUUBLE-NNZMDNLPSA-N 2 0 344.499 3.395 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001169095379 1384105948 /nfs/dbraw/zinc/10/59/48/1384105948.db2.gz QNBRYUXORBRFIK-ACDBMABISA-N 2 0 331.479 3.005 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3F)CCOCC1)C2 ZINC001169096826 1384106308 /nfs/dbraw/zinc/10/63/08/1384106308.db2.gz YVFKTUJELBSGQK-OSYLJGHBSA-N 2 0 332.463 3.089 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3cc(Cl)ccc3nc1CCC[NH3+])C2 ZINC001169098930 1384106691 /nfs/dbraw/zinc/10/66/91/1384106691.db2.gz MMUXJOGUIWCHIW-QDMKHBRRSA-N 2 0 332.879 3.379 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCCCC3=O)cc1)C2 ZINC001169116955 1384109212 /nfs/dbraw/zinc/10/92/12/1384109212.db2.gz UWICCQPZDLRGJW-FNLKRUPLSA-N 2 0 341.499 3.308 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129863 1384111027 /nfs/dbraw/zinc/11/10/27/1384111027.db2.gz LDAJMWWWSMYRGW-AXVVYFOYSA-N 2 0 349.519 3.087 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129866 1384111197 /nfs/dbraw/zinc/11/11/97/1384111197.db2.gz LDAJMWWWSMYRGW-XLSPSMHOSA-N 2 0 349.519 3.087 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001169134888 1384112020 /nfs/dbraw/zinc/11/20/20/1384112020.db2.gz UKSBMTIGKZLAOS-MOPGFXCFSA-N 2 0 337.552 3.031 20 0 EGADRP CC1(C)C[C@@H](Nc2cccc(CN3CC[C@@H]([NH3+])C3)c2)C[C@](C)(C[NH3+])C1 ZINC001169151428 1384115529 /nfs/dbraw/zinc/11/55/29/1384115529.db2.gz JNAJEVCOHCVVDT-QFUCXCTJSA-N 2 0 344.547 3.175 20 0 EGADRP CC[NH+]1CCC(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001169261841 1384129000 /nfs/dbraw/zinc/12/90/00/1384129000.db2.gz OGOOSLGZALCCJK-YVNJGZBMSA-N 2 0 343.559 3.366 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001169483536 1384153272 /nfs/dbraw/zinc/15/32/72/1384153272.db2.gz DRSVMGNTTAZOGC-UYAOXDASSA-N 2 0 345.531 3.087 20 0 EGADRP CC1([NH+]2CCOCC2)CCC([NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC001308932708 1384160197 /nfs/dbraw/zinc/16/01/97/1384160197.db2.gz QVPIAWJMDMLPFT-UHFFFAOYSA-N 2 0 349.544 3.145 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169744990 1384181592 /nfs/dbraw/zinc/18/15/92/1384181592.db2.gz LIOYHWNFQVKXGF-HXUWFJFHSA-N 2 0 343.515 3.001 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001169798645 1384187211 /nfs/dbraw/zinc/18/72/11/1384187211.db2.gz PIZLMXLHTJRREN-PXNSSMCTSA-N 2 0 345.531 3.108 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001169957390 1384204705 /nfs/dbraw/zinc/20/47/05/1384204705.db2.gz BFLWQYUDWFAPKX-FQEVSTJZSA-N 2 0 345.531 3.354 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001170223014 1384268853 /nfs/dbraw/zinc/26/88/53/1384268853.db2.gz RFDRESONYGSANC-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP CC[NH+](CC)Cc1ccc(Br)cc1NCC1C[NH+](C)C1 ZINC001170258704 1384277814 /nfs/dbraw/zinc/27/78/14/1384277814.db2.gz KYAFTXHPTGGRIJ-UHFFFAOYSA-N 2 0 340.309 3.264 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cnc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001170333714 1384293401 /nfs/dbraw/zinc/29/34/01/1384293401.db2.gz UEKMWBJLOADQRA-ZKTXZKFHSA-N 2 0 348.494 3.335 20 0 EGADRP CC[C@@H]1CC([NH2+]C[C@H](C)C[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170474334 1384326764 /nfs/dbraw/zinc/32/67/64/1384326764.db2.gz HQWTXQMQHNXWNS-FVQBIDKESA-N 2 0 327.513 3.128 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527520 1384335438 /nfs/dbraw/zinc/33/54/38/1384335438.db2.gz ZFIPVTHYTPUUAO-MKXGPGLRSA-N 2 0 330.472 3.100 20 0 EGADRP C=Cc1cnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170524170 1384335665 /nfs/dbraw/zinc/33/56/65/1384335665.db2.gz GNQNHASXHPJMNK-UHFFFAOYSA-N 2 0 347.466 3.029 20 0 EGADRP [NH3+]Cc1cccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528790 1384336003 /nfs/dbraw/zinc/33/60/03/1384336003.db2.gz WBHZXSKLPWTQME-UHFFFAOYSA-N 3 0 348.494 3.055 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+]([C@H]3CC[C@@H](C(=O)OC)C3)CC2)CC1 ZINC001170566141 1384344414 /nfs/dbraw/zinc/34/44/14/1384344414.db2.gz ZGWLTHWWVJJOEY-MOPGFXCFSA-N 2 0 336.520 3.162 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170750498 1384378155 /nfs/dbraw/zinc/37/81/55/1384378155.db2.gz KWANUXQDPZLBTK-MSOLQXFVSA-N 2 0 325.541 3.314 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(NCOc3ccccc3)cc2)CC1 ZINC001170808790 1384389330 /nfs/dbraw/zinc/38/93/30/1384389330.db2.gz AFRADXZXLADMPQ-UHFFFAOYSA-N 2 0 325.456 3.306 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170817470 1384391018 /nfs/dbraw/zinc/39/10/18/1384391018.db2.gz NCJOYVUMJOURJK-PXNSSMCTSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]CCCC(C)C)c1ccccc1 ZINC001170867430 1384401206 /nfs/dbraw/zinc/40/12/06/1384401206.db2.gz ILAGLIMKNXXBMH-IBGZPJMESA-N 2 0 333.520 3.212 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2cccc(OCc3ccccc3)c2n1 ZINC001170897412 1384407267 /nfs/dbraw/zinc/40/72/67/1384407267.db2.gz HDXXPMJUZOJFRX-GOSISDBHSA-N 2 0 336.439 3.249 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(Cl)nc2ccc(C(F)(F)F)cc21 ZINC001170897446 1384407651 /nfs/dbraw/zinc/40/76/51/1384407651.db2.gz HXIWEVBESJIBQH-CYBMUJFWSA-N 2 0 332.757 3.343 20 0 EGADRP C[N@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171242056 1384477275 /nfs/dbraw/zinc/47/72/75/1384477275.db2.gz FEOFUVAGSWZIPH-PFNPZRIDSA-N 2 0 341.499 3.024 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253839 1384479201 /nfs/dbraw/zinc/47/92/01/1384479201.db2.gz MLBIJFOWQMTTOZ-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253973 1384479238 /nfs/dbraw/zinc/47/92/38/1384479238.db2.gz OGWVYQHIJQKIIZ-KRWDZBQOSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171328426 1384495570 /nfs/dbraw/zinc/49/55/70/1384495570.db2.gz JEZFHPFBCYVCRN-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171328424 1384495791 /nfs/dbraw/zinc/49/57/91/1384495791.db2.gz JEZFHPFBCYVCRN-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171331255 1384496175 /nfs/dbraw/zinc/49/61/75/1384496175.db2.gz XSUYPOIVSHZSRM-WLMAVBAVSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171331258 1384496217 /nfs/dbraw/zinc/49/62/17/1384496217.db2.gz XUSCIVRYVVBJPQ-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001171367678 1384503335 /nfs/dbraw/zinc/50/33/35/1384503335.db2.gz PDLXQVCZCUITRJ-ICSRJNTNSA-N 2 0 347.547 3.346 20 0 EGADRP [NH3+]C[C@@H]1COc2ccccc2N1c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001171398922 1384512416 /nfs/dbraw/zinc/51/24/16/1384512416.db2.gz DZGHBGJEFCLXKD-QGZVFWFLSA-N 2 0 347.462 3.192 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001171509567 1384546741 /nfs/dbraw/zinc/54/67/41/1384546741.db2.gz RQRKOGOBAPDLMP-YLJYHZDGSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171537816 1384556441 /nfs/dbraw/zinc/55/64/41/1384556441.db2.gz HYZASGXKZRFPAG-LPHOPBHVSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001171559585 1384562416 /nfs/dbraw/zinc/56/24/16/1384562416.db2.gz IZIHITIIRZJGIR-NRFANRHFSA-N 2 0 342.527 3.333 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001171586593 1384572407 /nfs/dbraw/zinc/57/24/07/1384572407.db2.gz QFZGHYODFLMVTP-SFHVURJKSA-N 2 0 347.547 3.224 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171587130 1384573163 /nfs/dbraw/zinc/57/31/63/1384573163.db2.gz YAIDUMSGWIZISI-MRXNPFEDSA-N 2 0 331.520 3.121 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CO2 ZINC001171623506 1384583237 /nfs/dbraw/zinc/58/32/37/1384583237.db2.gz AUOIMNAJWDGIDD-AWEZNQCLSA-N 2 0 332.488 3.240 20 0 EGADRP COC(=O)c1ccc2c(c1)CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171630753 1384586075 /nfs/dbraw/zinc/58/60/75/1384586075.db2.gz AXGIQZAFEGSAGR-UHFFFAOYSA-N 2 0 344.499 3.483 20 0 EGADRP CC[C@H]1[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171637750 1384587481 /nfs/dbraw/zinc/58/74/81/1384587481.db2.gz OHCTUCXHPPYOIU-UZLBHIALSA-N 2 0 335.536 3.161 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC1(C)C ZINC001171638660 1384588161 /nfs/dbraw/zinc/58/81/61/1384588161.db2.gz YTDLHHXBWQSABZ-NRFANRHFSA-N 2 0 341.499 3.234 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CCCN(C(=O)c3ccco3)CC2)CC1(C)C ZINC001171639595 1384588641 /nfs/dbraw/zinc/58/86/41/1384588641.db2.gz PYWYKXRMAISWFX-UHFFFAOYSA-N 2 0 347.503 3.079 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CCc3cnc(C4CC4)nc3C2)CC1(C)C ZINC001171640302 1384589161 /nfs/dbraw/zinc/58/91/61/1384589161.db2.gz BOOYEFUOPUUBOU-UHFFFAOYSA-N 2 0 328.504 3.364 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171645828 1384591138 /nfs/dbraw/zinc/59/11/38/1384591138.db2.gz CKJQMPIRWIYDRZ-RTBURBONSA-N 2 0 337.552 3.338 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171664482 1384595761 /nfs/dbraw/zinc/59/57/61/1384595761.db2.gz AOZVPFKCPOOCPL-FQEVSTJZSA-N 2 0 331.548 3.276 20 0 EGADRP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732730 1384617732 /nfs/dbraw/zinc/61/77/32/1384617732.db2.gz DHZGCIVBMDHYFB-VQIMIIECSA-N 3 0 334.467 3.373 20 0 EGADRP C[C@@H]1C[C@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C[N@@H+]1Cc1ccccc1 ZINC001171747543 1384624326 /nfs/dbraw/zinc/62/43/26/1384624326.db2.gz BPJQLHVFCYYCAH-NQIIRXRSSA-N 2 0 339.527 3.067 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC001171759033 1384626572 /nfs/dbraw/zinc/62/65/72/1384626572.db2.gz FTHFAFXTFZPLPT-QUCCMNQESA-N 2 0 327.516 3.067 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC001171763204 1384628375 /nfs/dbraw/zinc/62/83/75/1384628375.db2.gz VLQFTZQKGLQGLJ-KRWDZBQOSA-N 2 0 339.911 3.229 20 0 EGADRP C[C@H]1C[C@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171769582 1384630096 /nfs/dbraw/zinc/63/00/96/1384630096.db2.gz UOEPNTSVOJUPLV-VMXMFDLUSA-N 2 0 345.506 3.158 20 0 EGADRP C[NH+](C)CCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171846105 1384660254 /nfs/dbraw/zinc/66/02/54/1384660254.db2.gz RDKPGWQVMHDFQK-INIZCTEOSA-N 2 0 339.524 3.192 20 0 EGADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975033 1384700362 /nfs/dbraw/zinc/70/03/62/1384700362.db2.gz KIRZXYRYRSZVOR-GOSISDBHSA-N 2 0 345.531 3.324 20 0 EGADRP CC[N@@H+]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975302 1384701048 /nfs/dbraw/zinc/70/10/48/1384701048.db2.gz BPTFQYKZCWWFSL-HXUWFJFHSA-N 2 0 329.532 3.457 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977919 1384701702 /nfs/dbraw/zinc/70/17/02/1384701702.db2.gz UWUCDDYLCXRHOF-RLLQIKCJSA-N 2 0 329.532 3.359 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977704 1384701754 /nfs/dbraw/zinc/70/17/54/1384701754.db2.gz UBWCGEMFHSZJPH-RBUKOAKNSA-N 2 0 344.499 3.315 20 0 EGADRP COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989899 1384706066 /nfs/dbraw/zinc/70/60/66/1384706066.db2.gz ITWIEILVLMHKQI-NQIIRXRSSA-N 2 0 344.499 3.315 20 0 EGADRP CC[N@@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H]1C ZINC001171990753 1384707724 /nfs/dbraw/zinc/70/77/24/1384707724.db2.gz NZGQNLDXYSNCBG-UYAOXDASSA-N 2 0 329.532 3.456 20 0 EGADRP CCN1CC[C@@H]([N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172034335 1384712209 /nfs/dbraw/zinc/71/22/09/1384712209.db2.gz AOMUYQUVIAEDLU-VAMGGRTRSA-N 2 0 343.515 3.078 20 0 EGADRP CSCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061673 1384715062 /nfs/dbraw/zinc/71/50/62/1384715062.db2.gz IJFBKUAJLMJWPM-LWYYNNOASA-N 2 0 348.556 3.276 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001316944938 1384717206 /nfs/dbraw/zinc/71/72/06/1384717206.db2.gz WFETUXXJFUZZRE-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC(=O)OCc1ccccc1)C2 ZINC001172104895 1384727892 /nfs/dbraw/zinc/72/78/92/1384727892.db2.gz GPOHRWRHKBLBQP-LDLYASANSA-N 2 0 330.472 3.115 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001172118491 1384733400 /nfs/dbraw/zinc/73/34/00/1384733400.db2.gz QXHFSNFEUQTGNY-YYIAUSFCSA-N 2 0 339.524 3.141 20 0 EGADRP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172123599 1384734659 /nfs/dbraw/zinc/73/46/59/1384734659.db2.gz HCQSGJIHMPTVPL-CAOSSQGBSA-N 2 0 348.560 3.074 20 0 EGADRP COc1ccccc1[C@@H](O)C[N@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128889 1384737389 /nfs/dbraw/zinc/73/73/89/1384737389.db2.gz VHPDVJZCLHFWBJ-XFKSJGNHSA-N 2 0 346.515 3.454 20 0 EGADRP COc1ccccc1[C@@H](O)C[N@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128887 1384737691 /nfs/dbraw/zinc/73/76/91/1384737691.db2.gz VHPDVJZCLHFWBJ-DMUMMCEESA-N 2 0 346.515 3.454 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172221079 1384750516 /nfs/dbraw/zinc/75/05/16/1384750516.db2.gz STDRUKAHKVDALH-CFUHKGGASA-N 2 0 326.484 3.482 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001317004690 1384764962 /nfs/dbraw/zinc/76/49/62/1384764962.db2.gz CGXIGLLEZGPANV-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001172336708 1384773495 /nfs/dbraw/zinc/77/34/95/1384773495.db2.gz NSULCHPAAFMKNC-IRXDYDNUSA-N 2 0 326.525 3.061 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@H](C)CCO[C@@H](C)CC)CC1 ZINC001172352811 1384775622 /nfs/dbraw/zinc/77/56/22/1384775622.db2.gz JXHGZJQGQRDPEN-UXHICEINSA-N 2 0 341.584 3.320 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[NH+](C)CC2)C[C@H]1C ZINC001172357352 1384777339 /nfs/dbraw/zinc/77/73/39/1384777339.db2.gz CQQDEJPMVJZGAT-OPYAIIAOSA-N 2 0 329.532 3.348 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)N(c1cc(OC)cc[nH+]1)C1CC[NH2+]CC1 ZINC001172363039 1384777954 /nfs/dbraw/zinc/77/79/54/1384777954.db2.gz ZRRINSXEIWVFHV-JKSUJKDBSA-N 2 0 335.492 3.242 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172376437 1384779895 /nfs/dbraw/zinc/77/98/95/1384779895.db2.gz UHIZKGNUVRKQLQ-GBMAXXPESA-N 2 0 334.548 3.491 20 0 EGADRP CC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172400726 1384784741 /nfs/dbraw/zinc/78/47/41/1384784741.db2.gz VYNOKJCTIPOLPV-NJDAHSKKSA-N 2 0 345.531 3.429 20 0 EGADRP CC(C)OCC[C@@H](C)[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001172432253 1384791395 /nfs/dbraw/zinc/79/13/95/1384791395.db2.gz XKERBYZVOCYFEC-OAHLLOKOSA-N 2 0 328.522 3.368 20 0 EGADRP COc1ccc(CC2([NH3+])CC[NH+]([C@@H](C)CCOCC(C)C)CC2)cc1 ZINC001172468504 1384798967 /nfs/dbraw/zinc/79/89/67/1384798967.db2.gz ORBNRJVSVFMGKX-SFHVURJKSA-N 2 0 348.531 3.482 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172601795 1384817380 /nfs/dbraw/zinc/81/73/80/1384817380.db2.gz GMRFOUHXQZNKLO-MUGJNUQGSA-N 2 0 344.499 3.490 20 0 EGADRP CCCC[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640491 1384824969 /nfs/dbraw/zinc/82/49/69/1384824969.db2.gz OGRGURVXEQBDKP-BRWVUGGUSA-N 2 0 339.524 3.368 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754591 1384844261 /nfs/dbraw/zinc/84/42/61/1384844261.db2.gz XIOYQTOAPAHFJM-BHIYHBOVSA-N 2 0 347.503 3.274 20 0 EGADRP COC(=O)[C@H]1CCC[C@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)CC1 ZINC001172803825 1384855705 /nfs/dbraw/zinc/85/57/05/1384855705.db2.gz QZHVUJIRFZXMSP-IRXDYDNUSA-N 2 0 345.487 3.070 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCCC1 ZINC001317094603 1384856083 /nfs/dbraw/zinc/85/60/83/1384856083.db2.gz SGWQIAGUSIWRQV-YQQQUEKLSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCC(Cc3ccccc3)CC2)O1 ZINC001172819753 1384858987 /nfs/dbraw/zinc/85/89/87/1384858987.db2.gz LLTMCQAOKBOBJI-BFGFKNPTSA-N 2 0 346.515 3.102 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172831006 1384860694 /nfs/dbraw/zinc/86/06/94/1384860694.db2.gz LPTONXSGXFCCLO-QFIPXVFZSA-N 2 0 343.559 3.202 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001172861734 1384867364 /nfs/dbraw/zinc/86/73/64/1384867364.db2.gz VHRKTNZSHYRNFT-QMMMGPOBSA-N 2 0 348.900 3.294 20 0 EGADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172870049 1384868778 /nfs/dbraw/zinc/86/87/78/1384868778.db2.gz HRKZYNXHHIHTAK-HNNXBMFYSA-N 2 0 341.952 3.048 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCCCC[NH+]1CCCC1 ZINC001172950156 1384887973 /nfs/dbraw/zinc/88/79/73/1384887973.db2.gz MRXIJVBMQNFCGG-QGZVFWFLSA-N 2 0 341.540 3.488 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC001172952565 1384888529 /nfs/dbraw/zinc/88/85/29/1384888529.db2.gz GQPBODOBTBPTAP-SJORKVTESA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001173101938 1384914873 /nfs/dbraw/zinc/91/48/73/1384914873.db2.gz PWFOZEKWPSMPDH-JCYILVPMSA-N 2 0 339.524 3.238 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC001173105201 1384915542 /nfs/dbraw/zinc/91/55/42/1384915542.db2.gz CEVBPAKGHDSEMT-UHFFFAOYSA-N 2 0 336.476 3.152 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3ncccc3C)C2)CC1 ZINC001173113684 1384917784 /nfs/dbraw/zinc/91/77/84/1384917784.db2.gz KJBNNUJUXBCXQJ-CTWPCTMYSA-N 2 0 331.504 3.496 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(N(C(C)=O)C(C)C)CC2)CC1 ZINC001173113726 1384917913 /nfs/dbraw/zinc/91/79/13/1384917913.db2.gz KWPPADAIZABUMH-UHFFFAOYSA-N 2 0 337.552 3.361 20 0 EGADRP c1nc2c(s1)C[C@H]([NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC001173137903 1384921631 /nfs/dbraw/zinc/92/16/31/1384921631.db2.gz OHTIPPXGJZHIBD-KZNAEPCWSA-N 2 0 339.508 3.064 20 0 EGADRP COc1cccc2c1C[C@H]([N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173162807 1384927551 /nfs/dbraw/zinc/92/75/51/1384927551.db2.gz ZANBEJCNXCDAJB-XIRDDKMYSA-N 2 0 330.472 3.123 20 0 EGADRP C[C@@H](CC(c1ccccc1)c1ccccc1)NC(=[NH2+])NCCCC[NH3+] ZINC001173206932 1384936082 /nfs/dbraw/zinc/93/60/82/1384936082.db2.gz YTYDOQMYZCZQIJ-KRWDZBQOSA-N 2 0 338.499 3.450 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001173364111 1384964949 /nfs/dbraw/zinc/96/49/49/1384964949.db2.gz TYTKGMVGYNXVFQ-QFIPXVFZSA-N 2 0 349.522 3.488 20 0 EGADRP CCN1CC[C@H]([N@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001173358804 1384964968 /nfs/dbraw/zinc/96/49/68/1384964968.db2.gz LIUWLUXCQHQIHJ-VKNHOLBOSA-N 2 0 327.516 3.209 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001173444342 1384971637 /nfs/dbraw/zinc/97/16/37/1384971637.db2.gz UAORMRRQSKGLRV-MRXNPFEDSA-N 2 0 348.487 3.067 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001173622962 1384990545 /nfs/dbraw/zinc/99/05/45/1384990545.db2.gz PCCAYBUMXLKGLN-NEWSRXKRSA-N 2 0 332.488 3.391 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001173647342 1384995490 /nfs/dbraw/zinc/99/54/90/1384995490.db2.gz BIOQBGCYZGTCSU-BHIYHBOVSA-N 2 0 332.488 3.205 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173672837 1385001019 /nfs/dbraw/zinc/00/10/19/1385001019.db2.gz RSWAYJGOOIUBAO-HZPDHXFCSA-N 2 0 341.540 3.484 20 0 EGADRP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173740399 1385012153 /nfs/dbraw/zinc/01/21/53/1385012153.db2.gz MIEHWASSEXHYJR-ROUUACIJSA-N 2 0 336.528 3.039 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317343511 1385094826 /nfs/dbraw/zinc/09/48/26/1385094826.db2.gz LYANSKGPHKPHBQ-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CCNC(=O)Cc2ncc[nH]2)cc1 ZINC001317407329 1385119553 /nfs/dbraw/zinc/11/95/53/1385119553.db2.gz DKAVTYVDSFBPMQ-CVEARBPZSA-N 2 0 342.487 3.321 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880779 1385164207 /nfs/dbraw/zinc/16/42/07/1385164207.db2.gz HJPRHYCAKZGETF-PKOBYXMFSA-N 2 0 337.552 3.458 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905683 1385168433 /nfs/dbraw/zinc/16/84/33/1385168433.db2.gz MDVXJOISGDARHX-SQNIBIBYSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174927118 1385170869 /nfs/dbraw/zinc/17/08/69/1385170869.db2.gz ARLDEDLZGXCADH-MSOLQXFVSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCC[NH+](C)C ZINC001174960692 1385174932 /nfs/dbraw/zinc/17/49/32/1385174932.db2.gz HSDUWNTZCSSKLS-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCc1ccccc1)NC(=O)CC[NH+](C)C ZINC001175047708 1385186050 /nfs/dbraw/zinc/18/60/50/1385186050.db2.gz AJZUZDYWUILMEJ-LJQANCHMSA-N 2 0 347.547 3.226 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001175056329 1385187268 /nfs/dbraw/zinc/18/72/68/1385187268.db2.gz MHOIUNYPCHDPFZ-CVEARBPZSA-N 2 0 337.483 3.103 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256911 1385230660 /nfs/dbraw/zinc/23/06/60/1385230660.db2.gz QLKOOQUYCBAJEM-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256223 1385230886 /nfs/dbraw/zinc/23/08/86/1385230886.db2.gz JFFNWNCRFUEBFE-IAGOWNOFSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256810 1385231003 /nfs/dbraw/zinc/23/10/03/1385231003.db2.gz PKLCSEORPUNUKC-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175264672 1385234228 /nfs/dbraw/zinc/23/42/28/1385234228.db2.gz UJQJRNAWJUEENY-QFBILLFUSA-N 2 0 343.531 3.120 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581178 1385338937 /nfs/dbraw/zinc/33/89/37/1385338937.db2.gz IDNBUEJCZCHSAA-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC001335968308 1388979299 /nfs/dbraw/zinc/97/92/99/1388979299.db2.gz AYGQQHCOMTYOLN-SFHVURJKSA-N 2 0 349.478 3.007 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@H](CC)c2ccccc2)C1 ZINC001317623137 1385358349 /nfs/dbraw/zinc/35/83/49/1385358349.db2.gz LCBPKZHXNAINCH-WOJBJXKFSA-N 2 0 345.531 3.308 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001175786391 1385405805 /nfs/dbraw/zinc/40/58/05/1385405805.db2.gz KJSAGSDELLOVFS-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175871843 1385426200 /nfs/dbraw/zinc/42/62/00/1385426200.db2.gz CUMKERSOFZPJPC-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175871412 1385426278 /nfs/dbraw/zinc/42/62/78/1385426278.db2.gz CCWGMFIJUOYTEM-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[C@H](C)C1 ZINC001317747415 1385435412 /nfs/dbraw/zinc/43/54/12/1385435412.db2.gz TWBWPVWGUVRTBI-LWYYNNOASA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176024451 1385464418 /nfs/dbraw/zinc/46/44/18/1385464418.db2.gz OHKPOZOBUAUYKH-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164642 1385500034 /nfs/dbraw/zinc/50/00/34/1385500034.db2.gz CTXVNVQQFVJXPM-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176286038 1385540106 /nfs/dbraw/zinc/54/01/06/1385540106.db2.gz SMFSYWIPPSZVSI-XLIONFOSSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001176328810 1385553179 /nfs/dbraw/zinc/55/31/79/1385553179.db2.gz YJMYKTZPIGWZOJ-SFHVURJKSA-N 2 0 331.504 3.110 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001176582526 1385631387 /nfs/dbraw/zinc/63/13/87/1385631387.db2.gz HBOILMQUIHYUJB-SFHVURJKSA-N 2 0 335.536 3.237 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001176591293 1385634705 /nfs/dbraw/zinc/63/47/05/1385634705.db2.gz JLMIBVQFYFTVHW-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC001176591291 1385634837 /nfs/dbraw/zinc/63/48/37/1385634837.db2.gz JLMIBVQFYFTVHW-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176727855 1385673458 /nfs/dbraw/zinc/67/34/58/1385673458.db2.gz BMWBHLMGCRAWDQ-MSOLQXFVSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176753638 1385683758 /nfs/dbraw/zinc/68/37/58/1385683758.db2.gz JFFXKDSYMXHACR-MRXNPFEDSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176754454 1385685121 /nfs/dbraw/zinc/68/51/21/1385685121.db2.gz VZZXCRKKCMLLTJ-HZPDHXFCSA-N 2 0 347.494 3.027 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176754456 1385685222 /nfs/dbraw/zinc/68/52/22/1385685222.db2.gz VZZXCRKKCMLLTJ-JKSUJKDBSA-N 2 0 347.494 3.027 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001176844194 1385722176 /nfs/dbraw/zinc/72/21/76/1385722176.db2.gz GDKPYIIPBXLIRU-QZTJIDSGSA-N 2 0 345.531 3.279 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001176890313 1385733798 /nfs/dbraw/zinc/73/37/98/1385733798.db2.gz QPLUWXOYHPEXTL-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CC2CC3(CCC3)C2)c1 ZINC001176890320 1385733844 /nfs/dbraw/zinc/73/38/44/1385733844.db2.gz QTVKWPFCMHQJHG-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176992267 1385765357 /nfs/dbraw/zinc/76/53/57/1385765357.db2.gz KYTJXAYEUCFJFO-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997545 1385767932 /nfs/dbraw/zinc/76/79/32/1385767932.db2.gz RDYIIAUYSXZKAN-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001176997539 1385768443 /nfs/dbraw/zinc/76/84/43/1385768443.db2.gz QOMNYXQTVKLCKR-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCN(C(=O)c3cccc(C)c3)CC2)CC1 ZINC001177127776 1385824521 /nfs/dbraw/zinc/82/45/21/1385824521.db2.gz NOSLPWLJGLNAGW-UHFFFAOYSA-N 2 0 343.515 3.064 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2(C[NH2+]C(C)C)CCCC2)o1 ZINC001318672289 1385830399 /nfs/dbraw/zinc/83/03/99/1385830399.db2.gz XIGIEHMGQVKJHQ-UHFFFAOYSA-N 2 0 335.492 3.162 20 0 EGADRP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177267632 1385890632 /nfs/dbraw/zinc/89/06/32/1385890632.db2.gz UQIVSIQOWASGCN-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001318969632 1385902806 /nfs/dbraw/zinc/90/28/06/1385902806.db2.gz QCLQONFCZFTGPF-SNRMKQJTSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001318979092 1385906865 /nfs/dbraw/zinc/90/68/65/1385906865.db2.gz MLKUWAJUZNXHAQ-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177318192 1385912350 /nfs/dbraw/zinc/91/23/50/1385912350.db2.gz WMLPTGCJKIEOQM-UHFFFAOYSA-N 2 0 337.508 3.411 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177317953 1385912357 /nfs/dbraw/zinc/91/23/57/1385912357.db2.gz OYAWKQTVLDBINF-UHFFFAOYSA-N 2 0 337.508 3.267 20 0 EGADRP C[NH+]1CCC(C(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)CC1 ZINC001177405847 1385944877 /nfs/dbraw/zinc/94/48/77/1385944877.db2.gz OIGZIJBSSMEFRD-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+](C)C ZINC001177404903 1385944964 /nfs/dbraw/zinc/94/49/64/1385944964.db2.gz DDLBAKSOBBNPDJ-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CCC ZINC001177466990 1385967557 /nfs/dbraw/zinc/96/75/57/1385967557.db2.gz OWUDRFGZBBYQBN-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177477843 1385972066 /nfs/dbraw/zinc/97/20/66/1385972066.db2.gz NGVUXMXRENKSQS-FBQMEGEOSA-N 2 0 349.563 3.293 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)o1 ZINC001319191131 1385999968 /nfs/dbraw/zinc/99/99/68/1385999968.db2.gz YFMGMCGJKDTJKR-KRWDZBQOSA-N 2 0 327.472 3.186 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC001177737035 1386030295 /nfs/dbraw/zinc/03/02/95/1386030295.db2.gz HNYSMMFJSSVRFI-UHFFFAOYSA-N 2 0 344.478 3.450 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2F)CCCC1)[NH+](C)C ZINC001319385239 1386094455 /nfs/dbraw/zinc/09/44/55/1386094455.db2.gz IZEHBCXCLMDZMJ-QAPCUYQASA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001178045749 1386115766 /nfs/dbraw/zinc/11/57/66/1386115766.db2.gz UMUICFJDSGYQTJ-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC001178463365 1386224623 /nfs/dbraw/zinc/22/46/23/1386224623.db2.gz ODQFCAMDSHTHPD-OAQYLSRUSA-N 2 0 347.462 3.091 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178484343 1386231944 /nfs/dbraw/zinc/23/19/44/1386231944.db2.gz SVAFCHGNPISVTG-MOPGFXCFSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H](C(=O)NC1(C[NH2+][C@@H](C)c2cccc(C)c2)CCCC1)[NH+](C)C ZINC001698635752 1406281223 /nfs/dbraw/zinc/28/12/23/1406281223.db2.gz SUHCAOAEFMDZAU-HKUYNNGSSA-N 2 0 345.531 3.415 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccccc2)CC[N@@H+]1C ZINC001178527961 1386241569 /nfs/dbraw/zinc/24/15/69/1386241569.db2.gz RFEQLCRQMDPEHO-VQTJNVASSA-N 2 0 345.531 3.183 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)c1sccc1C[NH+](C)C ZINC001178617890 1386263226 /nfs/dbraw/zinc/26/32/26/1386263226.db2.gz NYIAAKBNAOVELH-UHFFFAOYSA-N 2 0 325.522 3.100 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178693219 1386279603 /nfs/dbraw/zinc/27/96/03/1386279603.db2.gz LHPSUVVJGWUSNP-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693245 1386280055 /nfs/dbraw/zinc/28/00/55/1386280055.db2.gz MNQAXUYUJPFJKX-LJQANCHMSA-N 2 0 337.552 3.460 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CCCCC1)C1CC1 ZINC001178698679 1386281260 /nfs/dbraw/zinc/28/12/60/1386281260.db2.gz QOQZYWDJJMLCQG-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698722 1386282456 /nfs/dbraw/zinc/28/24/56/1386282456.db2.gz RUZKBXKZLBHCTC-HKUYNNGSSA-N 2 0 339.568 3.275 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001178813251 1386315325 /nfs/dbraw/zinc/31/53/25/1386315325.db2.gz DGZNAWSQXRBCQD-BBWFWOEESA-N 2 0 343.531 3.072 20 0 EGADRP Cc1c(C(=O)NCCCCCC[NH2+]CCC2CC2)ccc2c[nH+]cn21 ZINC001178908420 1386345670 /nfs/dbraw/zinc/34/56/70/1386345670.db2.gz QRJCDQLLNFUWKD-UHFFFAOYSA-N 2 0 342.487 3.323 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925852 1386351046 /nfs/dbraw/zinc/35/10/46/1386351046.db2.gz KYEAHLTYVHLEAA-PMEOWRCESA-N 2 0 335.536 3.186 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550186 1386511853 /nfs/dbraw/zinc/51/18/53/1386511853.db2.gz QVSXEDRPZTUAOT-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001179550554 1386511976 /nfs/dbraw/zinc/51/19/76/1386511976.db2.gz ZSBULAULDLQIBI-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCC(C)(C)C)C2)CCC1 ZINC001320103439 1386515186 /nfs/dbraw/zinc/51/51/86/1386515186.db2.gz KMVURBYXAJEFBR-ZWKOTPCHSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001179580800 1386522101 /nfs/dbraw/zinc/52/21/01/1386522101.db2.gz QNVFWSONGKOBMZ-QGZVFWFLSA-N 2 0 349.494 3.076 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001179585087 1386523363 /nfs/dbraw/zinc/52/33/63/1386523363.db2.gz CFJGHYYUWXWJAS-GOSISDBHSA-N 2 0 335.536 3.095 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001179609123 1386530329 /nfs/dbraw/zinc/53/03/29/1386530329.db2.gz JHQGFZAWDAGBLY-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001179746019 1386569935 /nfs/dbraw/zinc/56/99/35/1386569935.db2.gz LMWOBYZTDUEFSO-IBGZPJMESA-N 2 0 337.552 3.482 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788042 1386585497 /nfs/dbraw/zinc/58/54/97/1386585497.db2.gz KQKATWXMUAPMMS-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCCCCC[NH2+]CC2CCC2)cc1 ZINC001179832334 1386600110 /nfs/dbraw/zinc/60/01/10/1386600110.db2.gz XSJITWFKOYEUSZ-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001179843082 1386604622 /nfs/dbraw/zinc/60/46/22/1386604622.db2.gz RILWJDFOBUKJLF-QZTJIDSGSA-N 2 0 345.547 3.367 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)C(C)C ZINC001179843125 1386604959 /nfs/dbraw/zinc/60/49/59/1386604959.db2.gz VOSNKUSWRWSQSI-MSOLQXFVSA-N 2 0 345.547 3.367 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C)c1ccc(F)cc1 ZINC001179852580 1386607622 /nfs/dbraw/zinc/60/76/22/1386607622.db2.gz WJYYJHXUNCXDLE-SNRMKQJTSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C)c1ccc(F)cc1 ZINC001179852579 1386607661 /nfs/dbraw/zinc/60/76/61/1386607661.db2.gz WJYYJHXUNCXDLE-IPELMVKDSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001320474850 1386620621 /nfs/dbraw/zinc/62/06/21/1386620621.db2.gz BKQLUNMWFPHISI-MSOLQXFVSA-N 2 0 343.515 3.169 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)[C@@H]1C ZINC001179983357 1386657993 /nfs/dbraw/zinc/65/79/93/1386657993.db2.gz XQRRNLCJFKQSFD-BXWFABGCSA-N 2 0 349.494 3.198 20 0 EGADRP CCc1cccc(C[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC)c1 ZINC001179992372 1386662491 /nfs/dbraw/zinc/66/24/91/1386662491.db2.gz WMVBXWZTEDGOJK-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180060598 1386683569 /nfs/dbraw/zinc/68/35/69/1386683569.db2.gz IWRHUBADDNMECH-LJQANCHMSA-N 2 0 345.531 3.103 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001180065722 1386685170 /nfs/dbraw/zinc/68/51/70/1386685170.db2.gz ZUTFZEXVKSTYEA-MOPGFXCFSA-N 2 0 345.531 3.356 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065535 1386685443 /nfs/dbraw/zinc/68/54/43/1386685443.db2.gz REJOINRFNQAEEF-OALUTQOASA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001698661181 1406312354 /nfs/dbraw/zinc/31/23/54/1406312354.db2.gz IHNSZUAKKZVLSB-UWJYYQICSA-N 2 0 349.563 3.173 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180157137 1386716923 /nfs/dbraw/zinc/71/69/23/1386716923.db2.gz YESYXTUYHRCFRW-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180272632 1386751011 /nfs/dbraw/zinc/75/10/11/1386751011.db2.gz LGCPIUYMHYQAGG-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCCCCC[NH2+]C/C=C\Cl ZINC001180294572 1386758306 /nfs/dbraw/zinc/75/83/06/1386758306.db2.gz MZPNWQQHYJBCHR-LUAWRHEFSA-N 2 0 343.943 3.271 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001180369399 1386775649 /nfs/dbraw/zinc/77/56/49/1386775649.db2.gz CWTKATJNOSCSPI-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCCCCC[NH2+]C/C=C/Cl ZINC001180451711 1386801028 /nfs/dbraw/zinc/80/10/28/1386801028.db2.gz GTHUZUMVWZQWPH-PKNBQFBNSA-N 2 0 343.943 3.271 20 0 EGADRP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001180792547 1386875399 /nfs/dbraw/zinc/87/53/99/1386875399.db2.gz CBHBGCZBHVSJLV-CRAIPNDOSA-N 2 0 330.472 3.216 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC001322095027 1387051811 /nfs/dbraw/zinc/05/18/11/1387051811.db2.gz DIVJERKPSPTLQD-UHFFFAOYSA-N 2 0 338.495 3.448 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001182473507 1387172098 /nfs/dbraw/zinc/17/20/98/1387172098.db2.gz SFESMYXKFCWQMA-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1)[NH+](CC)CC ZINC001182598580 1387194123 /nfs/dbraw/zinc/19/41/23/1387194123.db2.gz GZRHJHVAFKFLJL-WSTZPKSXSA-N 2 0 337.552 3.147 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629875 1387198740 /nfs/dbraw/zinc/19/87/40/1387198740.db2.gz MWISGXSGYGJYAW-YCIUYBBHSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001182911066 1387244898 /nfs/dbraw/zinc/24/48/98/1387244898.db2.gz VYSRTHPOFTZSPO-WSTZPKSXSA-N 2 0 339.568 3.227 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001329321714 1389062145 /nfs/dbraw/zinc/06/21/45/1389062145.db2.gz SUJBCSQGUKNBKV-IEBWSBKVSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001330030886 1389288960 /nfs/dbraw/zinc/28/89/60/1389288960.db2.gz HKLCPFVHMDBCQD-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc2c[nH+]cn21 ZINC001337336579 1389308542 /nfs/dbraw/zinc/30/85/42/1389308542.db2.gz MGIVCCAJURIYTO-HXUWFJFHSA-N 2 0 348.450 3.210 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001698749549 1406400368 /nfs/dbraw/zinc/40/03/68/1406400368.db2.gz WCSLRTPJUQXWSN-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)cc1C ZINC001332844102 1390199565 /nfs/dbraw/zinc/19/95/65/1390199565.db2.gz QMXMKKOGXWIMGD-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001332897949 1390211769 /nfs/dbraw/zinc/21/17/69/1390211769.db2.gz FKPJMAQKXJVNSV-SFHVURJKSA-N 2 0 333.520 3.138 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccccc1F ZINC001333467545 1390311926 /nfs/dbraw/zinc/31/19/26/1390311926.db2.gz VGSADSVUHWOXOR-INIZCTEOSA-N 2 0 327.447 3.428 20 0 EGADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1cccc(Br)c1 ZINC001333683600 1390374210 /nfs/dbraw/zinc/37/42/10/1390374210.db2.gz FWQOTPIXPNABCY-CYBMUJFWSA-N 2 0 341.293 3.148 20 0 EGADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCCCC1 ZINC001340880370 1390392719 /nfs/dbraw/zinc/39/27/19/1390392719.db2.gz MRYLCHQSSVCKMH-HXUWFJFHSA-N 2 0 349.563 3.445 20 0 EGADRP CC(C)(C(=O)N1C[C@H](CC[NH3+])c2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC001341526973 1390498310 /nfs/dbraw/zinc/49/83/10/1390498310.db2.gz SOYLHXAQEVEXHN-QFBILLFUSA-N 2 0 337.467 3.192 20 0 EGADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001335134559 1390647464 /nfs/dbraw/zinc/64/74/64/1390647464.db2.gz TUEHNHSBLWGSJK-BZSNNMDCSA-N 2 0 332.488 3.256 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cccnc2N(C)C)c1 ZINC001342915639 1390671810 /nfs/dbraw/zinc/67/18/10/1390671810.db2.gz XHRYQERBYRQAMO-UHFFFAOYSA-N 2 0 326.488 3.279 20 0 EGADRP Cc1nccn1CCCSCc1ccc(CN2CCOCC2)cc1 ZINC001345226311 1390850102 /nfs/dbraw/zinc/85/01/02/1390850102.db2.gz OWZXYRLTHMKSJB-UHFFFAOYSA-N 2 0 345.512 3.347 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001349896448 1391382445 /nfs/dbraw/zinc/38/24/45/1391382445.db2.gz HHCZOUXBEDTKEG-NRFANRHFSA-N 2 0 349.478 3.326 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001479905020 1392472374 /nfs/dbraw/zinc/47/23/74/1392472374.db2.gz MTUMOVMYXRDDRF-HKUYNNGSSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001480304275 1392668256 /nfs/dbraw/zinc/66/82/56/1392668256.db2.gz WVWHEBZXOAPVJW-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001480548737 1392788486 /nfs/dbraw/zinc/78/84/86/1392788486.db2.gz NOLDDBIIGQCIMY-HNAYVOBHSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001480548736 1392788661 /nfs/dbraw/zinc/78/86/61/1392788661.db2.gz NOLDDBIIGQCIMY-DNVCBOLYSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001480709976 1392871830 /nfs/dbraw/zinc/87/18/30/1392871830.db2.gz UGOPXRFUDHPZJP-MOPGFXCFSA-N 2 0 349.494 3.015 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480735782 1392900824 /nfs/dbraw/zinc/90/08/24/1392900824.db2.gz YJXFMPFBWZYAKI-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)CC1CCCCC1 ZINC001480984976 1393067267 /nfs/dbraw/zinc/06/72/67/1393067267.db2.gz FJBLKKYRCJGVBC-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H](C)c1ccccc1C ZINC001481018540 1393094164 /nfs/dbraw/zinc/09/41/64/1393094164.db2.gz BPOKQVUJOKHXKW-IBGZPJMESA-N 2 0 345.531 3.370 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001481070509 1393112554 /nfs/dbraw/zinc/11/25/54/1393112554.db2.gz JAFPQSCQORJFPP-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001481287825 1393158928 /nfs/dbraw/zinc/15/89/28/1393158928.db2.gz ORKVBVRYOZGMMM-LPHOPBHVSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1C)[NH+](C)C ZINC001491220914 1394479181 /nfs/dbraw/zinc/47/91/81/1394479181.db2.gz IQWLJFQVFYAWTO-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001491225655 1394482540 /nfs/dbraw/zinc/48/25/40/1394482540.db2.gz ZCEZSGDKUQAXMP-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001491231036 1394486138 /nfs/dbraw/zinc/48/61/38/1394486138.db2.gz QSNQBGXDDJEZSJ-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1)C1CCC1 ZINC001482017057 1394673744 /nfs/dbraw/zinc/67/37/44/1394673744.db2.gz RTNWXVMRIURRKN-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CCCC1)[NH+](C)C ZINC001482222619 1394816362 /nfs/dbraw/zinc/81/63/62/1394816362.db2.gz PMSFSTAIJAANJT-MAUKXSAKSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001482433135 1394993999 /nfs/dbraw/zinc/99/39/99/1394993999.db2.gz JDESKHIKYMNGHO-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1ccccc1 ZINC001482565038 1395090930 /nfs/dbraw/zinc/09/09/30/1395090930.db2.gz ZPCMJEACCIINMU-HXUWFJFHSA-N 2 0 345.531 3.037 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001483974880 1395170739 /nfs/dbraw/zinc/17/07/39/1395170739.db2.gz VCHGVRALVLWHJF-QGZVFWFLSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CCC3CC3)CC2)CC1 ZINC001484144694 1395280468 /nfs/dbraw/zinc/28/04/68/1395280468.db2.gz KAYWVWACIKCVHZ-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCC2CCCC2)C1 ZINC001484151938 1395287842 /nfs/dbraw/zinc/28/78/42/1395287842.db2.gz HTBGLYVYNBOPGC-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001484171814 1395313029 /nfs/dbraw/zinc/31/30/29/1395313029.db2.gz APFVOPOIGIENQB-GHTZIAJQSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001484389434 1395358083 /nfs/dbraw/zinc/35/80/83/1395358083.db2.gz IVMDWXGTRGAAMU-REPLKXPHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCC1 ZINC001484743624 1395499731 /nfs/dbraw/zinc/49/97/31/1395499731.db2.gz DTFNDSMKSXGXFI-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001484755648 1395506636 /nfs/dbraw/zinc/50/66/36/1395506636.db2.gz ZNGDEAYRFXNUQZ-ICSRJNTNSA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001503645610 1396261130 /nfs/dbraw/zinc/26/11/30/1396261130.db2.gz JLJXBYSFECYKLC-AZUAARDMSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001503645613 1396261231 /nfs/dbraw/zinc/26/12/31/1396261231.db2.gz JLJXBYSFECYKLC-ICSRJNTNSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](CC)c1ccccc1 ZINC001493280705 1396338995 /nfs/dbraw/zinc/33/89/95/1396338995.db2.gz OEDQLNRPTFDQDM-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001496791850 1396727988 /nfs/dbraw/zinc/72/79/88/1396727988.db2.gz AVROZBAKDVGVMI-SFHVURJKSA-N 2 0 345.531 3.178 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498143091 1396926622 /nfs/dbraw/zinc/92/66/22/1396926622.db2.gz LSPQTSZAORFLRO-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001498461606 1397011109 /nfs/dbraw/zinc/01/11/09/1397011109.db2.gz VBILLEZAMPHGRF-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](CC)CC1 ZINC001690135250 1404331984 /nfs/dbraw/zinc/33/19/84/1404331984.db2.gz FQCBPBMHVZEDOT-UHFFFAOYSA-N 2 0 337.552 3.364 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001690388750 1404524603 /nfs/dbraw/zinc/52/46/03/1404524603.db2.gz PCDYNAXPIOTWQH-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001690471449 1404595793 /nfs/dbraw/zinc/59/57/93/1404595793.db2.gz HHHOLKULRBAQQH-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001690490810 1404604425 /nfs/dbraw/zinc/60/44/25/1404604425.db2.gz FKCDEFDFKAZCSM-OALUTQOASA-N 2 0 335.536 3.118 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001691277069 1405188219 /nfs/dbraw/zinc/18/82/19/1405188219.db2.gz NLXXHSQLDRHQRS-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898448 1405620638 /nfs/dbraw/zinc/62/06/38/1405620638.db2.gz PRWISWOPFXSYDP-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001731630073 1427681919 /nfs/dbraw/zinc/68/19/19/1427681919.db2.gz UYUZYKFKPVRYKS-HZPDHXFCSA-N 2 0 349.494 3.101 20 0 EGADRP C[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001731775930 1427892911 /nfs/dbraw/zinc/89/29/11/1427892911.db2.gz LUJSEVVOHBVHPX-WEVVVXLNSA-N 2 0 348.450 3.328 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698585238 1406200978 /nfs/dbraw/zinc/20/09/78/1406200978.db2.gz LQSZPJWHOJLDGI-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001698599622 1406224671 /nfs/dbraw/zinc/22/46/71/1406224671.db2.gz GATYWKHWWDMVRK-MSOLQXFVSA-N 2 0 331.504 3.106 20 0 EGADRP CCC(CC)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001732024991 1428243384 /nfs/dbraw/zinc/24/33/84/1428243384.db2.gz ZRKANJNWGWBDFL-HXUWFJFHSA-N 2 0 345.531 3.212 20 0 EGADRP C[N@H+](CC(=O)NCC[C@@H]1CC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001732049659 1428288255 /nfs/dbraw/zinc/28/82/55/1428288255.db2.gz SQORLFHNCVHWCU-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1C ZINC001732222851 1428471641 /nfs/dbraw/zinc/47/16/41/1428471641.db2.gz ORXCQRJBVVINRM-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP CCC(CC)C[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001732234334 1428480832 /nfs/dbraw/zinc/48/08/32/1428480832.db2.gz LKTWRMAWQCLEPX-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001732325452 1428534176 /nfs/dbraw/zinc/53/41/76/1428534176.db2.gz SBAOOUJMPVOQBK-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001732329999 1428536681 /nfs/dbraw/zinc/53/66/81/1428536681.db2.gz CYNDZRMXKJAKBU-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001732359593 1428547689 /nfs/dbraw/zinc/54/76/89/1428547689.db2.gz CPKQZYFUHOAKPV-AEFFLSMTSA-N 2 0 347.547 3.376 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001732450990 1428586748 /nfs/dbraw/zinc/58/67/48/1428586748.db2.gz ZSOZSGQTKOPAFI-SFHVURJKSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473872 1412861064 /nfs/dbraw/zinc/86/10/64/1412861064.db2.gz DRKBSRHPUHJNRV-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)C[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CCCCCC1 ZINC001699683411 1413078318 /nfs/dbraw/zinc/07/83/18/1413078318.db2.gz KEYWGAFXRQDXAU-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(NC(=O)CC[NH+]2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001699774764 1413183645 /nfs/dbraw/zinc/18/36/45/1413183645.db2.gz NGKWYXQTGDAZQY-UHFFFAOYSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001700132036 1413548593 /nfs/dbraw/zinc/54/85/93/1413548593.db2.gz MQJKSFXZVSGKPX-QGZVFWFLSA-N 2 0 349.544 3.059 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1)[NH+](C)C ZINC001700136299 1413554091 /nfs/dbraw/zinc/55/40/91/1413554091.db2.gz MOKQAFFIPPNNON-MRXNPFEDSA-N 2 0 325.541 3.027 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001700178942 1413589375 /nfs/dbraw/zinc/58/93/75/1413589375.db2.gz MDKJNHLHKPPJRA-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700478491 1414110389 /nfs/dbraw/zinc/11/03/89/1414110389.db2.gz QBRWMYHIGPPUOF-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+](C)CCC1CCCC1 ZINC001700479708 1414112948 /nfs/dbraw/zinc/11/29/48/1414112948.db2.gz BCWNNBYZOWDMMJ-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001700488749 1414138986 /nfs/dbraw/zinc/13/89/86/1414138986.db2.gz FOJNCJATQNKDPL-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP CN(C(=O)c1sccc1C[NH+](C)C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001700723792 1414385229 /nfs/dbraw/zinc/38/52/29/1414385229.db2.gz PBODAYJOHNFFBG-KRWDZBQOSA-N 2 0 349.544 3.050 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001700802025 1414467260 /nfs/dbraw/zinc/46/72/60/1414467260.db2.gz SLXGGJBOXRIZGP-DLBZAZTESA-N 2 0 345.531 3.015 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700841276 1414491200 /nfs/dbraw/zinc/49/12/00/1414491200.db2.gz LVQZHBSAYIHQAM-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1C)C(C)(C)C)[NH+](C)C ZINC001700993175 1414638569 /nfs/dbraw/zinc/63/85/69/1414638569.db2.gz QNEZXXWVRZZMKS-RBUKOAKNSA-N 2 0 347.547 3.264 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001732632397 1428894184 /nfs/dbraw/zinc/89/41/84/1428894184.db2.gz XBBSGRGCHNRSEF-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001733014705 1429134650 /nfs/dbraw/zinc/13/46/50/1429134650.db2.gz ZLZTVYWRSSTCLE-KRWDZBQOSA-N 2 0 347.547 3.382 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707443549 1417347402 /nfs/dbraw/zinc/34/74/02/1417347402.db2.gz PMUHQRABBOGZLZ-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)CCCCC1 ZINC001713164807 1417739355 /nfs/dbraw/zinc/73/93/55/1417739355.db2.gz SHDNDLFTGFCCJC-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc([C@H](C)[NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001713459833 1418114607 /nfs/dbraw/zinc/11/46/07/1418114607.db2.gz OPWIOVDKXSRFRA-AZUAARDMSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001733084310 1429236796 /nfs/dbraw/zinc/23/67/96/1429236796.db2.gz SKZGTAPSTQWYGR-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713592375 1418386848 /nfs/dbraw/zinc/38/68/48/1418386848.db2.gz SZCCQZGRPKEFSI-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001713759284 1418565977 /nfs/dbraw/zinc/56/59/77/1418565977.db2.gz JUFDOVROXSXXON-MOPGFXCFSA-N 2 0 345.531 3.178 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001713973717 1418752828 /nfs/dbraw/zinc/75/28/28/1418752828.db2.gz QUOBAFLWBTWIHK-YQQQUEKLSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714434161 1419166888 /nfs/dbraw/zinc/16/68/88/1419166888.db2.gz MAVCNXXDROLEPH-FUHWJXTLSA-N 2 0 345.531 3.130 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1 ZINC001714584162 1419325578 /nfs/dbraw/zinc/32/55/78/1419325578.db2.gz PRUKWOOLULNGTJ-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CCCCCC1 ZINC001714586572 1419328767 /nfs/dbraw/zinc/32/87/67/1419328767.db2.gz RNVNEZRPIXSBRX-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1ccccc1F ZINC001714619300 1419384243 /nfs/dbraw/zinc/38/42/43/1419384243.db2.gz OISVARZNTJQJIL-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](CC)c1ccc(F)cc1 ZINC001714645401 1419419880 /nfs/dbraw/zinc/41/98/80/1419419880.db2.gz NMWIXRHXCIKKCW-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001714812703 1419523882 /nfs/dbraw/zinc/52/38/82/1419523882.db2.gz DMPYHQQLPXDDLC-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH+]2CC(CNC(=O)CCC[NH+](C)C)C2)cc1 ZINC001714972221 1419706917 /nfs/dbraw/zinc/70/69/17/1419706917.db2.gz ZXILGUQGGVPLLL-QGZVFWFLSA-N 2 0 345.531 3.261 20 0 EGADRP CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1)[NH+](CC)CC ZINC001714977683 1419712169 /nfs/dbraw/zinc/71/21/69/1419712169.db2.gz XGGGLODZSOJKCM-XLIONFOSSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001715061001 1419799746 /nfs/dbraw/zinc/79/97/46/1419799746.db2.gz YOMAEMZAPWGQQW-SFHVURJKSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001715099494 1419840317 /nfs/dbraw/zinc/84/03/17/1419840317.db2.gz FQVUEKNWMARWSL-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001715205316 1419939394 /nfs/dbraw/zinc/93/93/94/1419939394.db2.gz NPEPMSSFRHWYFB-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1c(C(=O)NCC2([NH2+]C[C@@H](C)CC(C)C)CC2)ccc2c[nH+]cn21 ZINC001733248254 1429395363 /nfs/dbraw/zinc/39/53/63/1429395363.db2.gz ORYGBDGPICLKFY-HNNXBMFYSA-N 2 0 342.487 3.177 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715521321 1420207656 /nfs/dbraw/zinc/20/76/56/1420207656.db2.gz PCXBTUYGINNDEL-AZUAARDMSA-N 2 0 345.531 3.319 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001716256194 1420585258 /nfs/dbraw/zinc/58/52/58/1420585258.db2.gz SBNJWJZZCWJYMI-SFHVURJKSA-N 2 0 331.504 3.062 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478278 1420693620 /nfs/dbraw/zinc/69/36/20/1420693620.db2.gz PXFFLAOJFDQMOJ-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001716715839 1420872380 /nfs/dbraw/zinc/87/23/80/1420872380.db2.gz OHAUQIAHCPENHM-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001716772054 1420915789 /nfs/dbraw/zinc/91/57/89/1420915789.db2.gz YRJNRKOCOMILJQ-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C(=O)NC1(C)CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001716796905 1420930005 /nfs/dbraw/zinc/93/00/05/1420930005.db2.gz LTUKDPACTUPHIX-YJBOKZPZSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001717200572 1421168199 /nfs/dbraw/zinc/16/81/99/1421168199.db2.gz IYBFLPPZFWSWJT-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)CC2CCCCCC2)C1 ZINC001717212354 1421186790 /nfs/dbraw/zinc/18/67/90/1421186790.db2.gz VHUBAXRTAYCYME-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001717270441 1421227296 /nfs/dbraw/zinc/22/72/96/1421227296.db2.gz XXTNRNAGQCNLHY-HXUWFJFHSA-N 2 0 345.531 3.395 20 0 EGADRP CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001717356306 1421291099 /nfs/dbraw/zinc/29/10/99/1421291099.db2.gz SWGJVYWVFSDLFW-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C(C)C)c1ccccc1 ZINC001717459100 1421388822 /nfs/dbraw/zinc/38/88/22/1421388822.db2.gz QFYCCJHSKGMGPT-SFHVURJKSA-N 2 0 333.520 3.162 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717459549 1421389080 /nfs/dbraw/zinc/38/90/80/1421389080.db2.gz GNAMGTPSORTBKA-QZTJIDSGSA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001724620753 1424973198 /nfs/dbraw/zinc/97/31/98/1424973198.db2.gz HATODDBHKRXSNY-OTWHNJEPSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCCCC3)CCC2)C1 ZINC001724795002 1425161930 /nfs/dbraw/zinc/16/19/30/1425161930.db2.gz GJPOMQPEFZBUNL-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724833112 1425178700 /nfs/dbraw/zinc/17/87/00/1425178700.db2.gz BASVHOXXXLRPQR-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](CCNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001725009922 1425422503 /nfs/dbraw/zinc/42/25/03/1425422503.db2.gz QRFGJRRONAXRRO-INIZCTEOSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001731467049 1427445560 /nfs/dbraw/zinc/44/55/60/1427445560.db2.gz ZAJYWDKWTBUBOF-AYHJJNSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001731696497 1427746412 /nfs/dbraw/zinc/74/64/12/1427746412.db2.gz ATZVBCBNIPQYHN-VQTJNVASSA-N 2 0 345.531 3.108 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733783040 1430050348 /nfs/dbraw/zinc/05/03/48/1430050348.db2.gz VJOFEEHTCCQFHN-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)CC1(C)C)C1CCC1 ZINC001733875045 1437701563 /nfs/dbraw/zinc/70/15/63/1437701563.db2.gz IQDOYSWCXRPMSB-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCCC(C)(C)C ZINC001733902570 1437720362 /nfs/dbraw/zinc/72/03/62/1437720362.db2.gz VOZZRLPZAZUEKY-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001734271527 1438002207 /nfs/dbraw/zinc/00/22/07/1438002207.db2.gz GTDZWVYABHXRAV-QGZVFWFLSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001734356071 1438073358 /nfs/dbraw/zinc/07/33/58/1438073358.db2.gz JGCDAORZBDMDJP-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCCC1CCC1 ZINC001734456313 1438113920 /nfs/dbraw/zinc/11/39/20/1438113920.db2.gz HTNAHZPACBQDKC-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)c1 ZINC001734568631 1438163280 /nfs/dbraw/zinc/16/32/80/1438163280.db2.gz LPIYQZHDEPYKRB-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(F)c1 ZINC001734640124 1438198158 /nfs/dbraw/zinc/19/81/58/1438198158.db2.gz GBDVQIKKUOSELD-LJQANCHMSA-N 2 0 349.494 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC1=CCCCC1 ZINC001752072309 1440138198 /nfs/dbraw/zinc/13/81/98/1440138198.db2.gz AHVYMWNDTVWREW-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001752124476 1440143135 /nfs/dbraw/zinc/14/31/35/1440143135.db2.gz LGWROGIOKUGFDS-FQEVSTJZSA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001752158337 1440148054 /nfs/dbraw/zinc/14/80/54/1440148054.db2.gz MWTOCZZHOAAATD-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752629439 1440197047 /nfs/dbraw/zinc/19/70/47/1440197047.db2.gz YCWCAAYNWVASTA-FHWLQOOXSA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001752709186 1440203272 /nfs/dbraw/zinc/20/32/72/1440203272.db2.gz ZRMAEFOFCZCRDG-MNVMYWNISA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001752785346 1440210815 /nfs/dbraw/zinc/21/08/15/1440210815.db2.gz UWUHGEFISLIXLI-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001752787222 1440211769 /nfs/dbraw/zinc/21/17/69/1440211769.db2.gz IZSVWJHDPKMJNJ-OALUTQOASA-N 2 0 337.552 3.269 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001752829039 1440224970 /nfs/dbraw/zinc/22/49/70/1440224970.db2.gz XURJEPANHZZCRT-QGZVFWFLSA-N 2 0 342.487 3.417 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752835401 1440227427 /nfs/dbraw/zinc/22/74/27/1440227427.db2.gz FNPZKDXJDBHHNE-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752836791 1440228329 /nfs/dbraw/zinc/22/83/29/1440228329.db2.gz PVDHZKDYKQIPKY-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001752840121 1440229965 /nfs/dbraw/zinc/22/99/65/1440229965.db2.gz GWBOWQXYHWGLJT-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001752841137 1440230482 /nfs/dbraw/zinc/23/04/82/1440230482.db2.gz OBJKETAASSKAFO-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001752897016 1440241872 /nfs/dbraw/zinc/24/18/72/1440241872.db2.gz QTOJQWAOHNNMTB-SJORKVTESA-N 2 0 341.499 3.337 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001752902455 1440243212 /nfs/dbraw/zinc/24/32/12/1440243212.db2.gz BVOPMDWVFNVFAE-VQIMIIECSA-N 2 0 349.494 3.013 20 0 EGADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001752902993 1440243355 /nfs/dbraw/zinc/24/33/55/1440243355.db2.gz JDXGERAQEZSREC-SJORKVTESA-N 2 0 349.494 3.015 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C ZINC001752903302 1440243500 /nfs/dbraw/zinc/24/35/00/1440243500.db2.gz NZHJLNVPWRQRMW-RTBURBONSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001752920463 1440248449 /nfs/dbraw/zinc/24/84/49/1440248449.db2.gz BSCQJHOIXMEDSA-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001752959006 1440253019 /nfs/dbraw/zinc/25/30/19/1440253019.db2.gz RUEVBBGEWLMPET-VQIMIIECSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752999840 1440263897 /nfs/dbraw/zinc/26/38/97/1440263897.db2.gz ISGVQFCOLBHADV-PMACEKPBSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001753014549 1440268031 /nfs/dbraw/zinc/26/80/31/1440268031.db2.gz OVYYXNISUAFSOZ-APWZRJJASA-N 2 0 349.494 3.073 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001753029231 1440272185 /nfs/dbraw/zinc/27/21/85/1440272185.db2.gz BTHHUUSUGSYWTL-GOSISDBHSA-N 2 0 337.552 3.410 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001753094803 1440301906 /nfs/dbraw/zinc/30/19/06/1440301906.db2.gz JAJWYMIORNBIFV-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C)c(C)c1 ZINC001753117129 1440312094 /nfs/dbraw/zinc/31/20/94/1440312094.db2.gz WBTFVCVEWKMTRO-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753203143 1440338541 /nfs/dbraw/zinc/33/85/41/1440338541.db2.gz SKQYUIWUFPOLPT-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753274977 1440346000 /nfs/dbraw/zinc/34/60/00/1440346000.db2.gz UTMOLZLDSFPQHP-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1=CCCCC1 ZINC001753286542 1440348923 /nfs/dbraw/zinc/34/89/23/1440348923.db2.gz DMNRDIPFGYPMHW-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001753315633 1440359220 /nfs/dbraw/zinc/35/92/20/1440359220.db2.gz CAUGTWJTTWOQCP-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753318511 1440361307 /nfs/dbraw/zinc/36/13/07/1440361307.db2.gz KPUYCPMUVCGTSC-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001753323877 1440365387 /nfs/dbraw/zinc/36/53/87/1440365387.db2.gz SETYXHGQRDZLRV-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753368336 1440386643 /nfs/dbraw/zinc/38/66/43/1440386643.db2.gz KTMUTXBYFAWFRL-WLMAVBAVSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001753427982 1440397354 /nfs/dbraw/zinc/39/73/54/1440397354.db2.gz RRGZUMXIPFNTAS-UFYCRDLUSA-N 2 0 349.563 3.218 20 0 EGADRP CCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753462302 1440411508 /nfs/dbraw/zinc/41/15/08/1440411508.db2.gz VJJUSUIEXXEGTA-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC001753511804 1440426179 /nfs/dbraw/zinc/42/61/79/1440426179.db2.gz MSBNCZUEMPMPQT-RTBURBONSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753547869 1440434513 /nfs/dbraw/zinc/43/45/13/1440434513.db2.gz FZOWRPUZSGXYKM-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]cn1)CC2 ZINC001753604076 1440447672 /nfs/dbraw/zinc/44/76/72/1440447672.db2.gz UFAILJQHQYKZAQ-ONEGZZNKSA-N 2 0 344.503 3.013 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001753669949 1440461662 /nfs/dbraw/zinc/46/16/62/1440461662.db2.gz MFHXLWGYZPNXER-FKDQEEMOSA-N 2 0 347.547 3.378 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753708473 1440470036 /nfs/dbraw/zinc/47/00/36/1440470036.db2.gz GXWWRXKMODQBRS-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753708474 1440470048 /nfs/dbraw/zinc/47/00/48/1440470048.db2.gz GXWWRXKMODQBRS-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001753772951 1440486040 /nfs/dbraw/zinc/48/60/40/1440486040.db2.gz LUHDZUFCKLKSIR-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001753788291 1440488546 /nfs/dbraw/zinc/48/85/46/1440488546.db2.gz ONBDSTUJOQQIBO-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]C/C=C/c1ccccc1 ZINC001753796527 1440489960 /nfs/dbraw/zinc/48/99/60/1440489960.db2.gz KEYBTQYEHQGABJ-ZBWUASRJSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1C[NH2+]CCC(C)(C)C ZINC001753812598 1440493122 /nfs/dbraw/zinc/49/31/22/1440493122.db2.gz FPSIZGBBAYFHLO-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)C1 ZINC001753824299 1440497826 /nfs/dbraw/zinc/49/78/26/1440497826.db2.gz YROFHFJEKQDIIN-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1cccc(C)c1 ZINC001753854194 1440508098 /nfs/dbraw/zinc/50/80/98/1440508098.db2.gz AJRUQJWPHKNJKY-ICSRJNTNSA-N 2 0 345.531 3.321 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001753866727 1440514664 /nfs/dbraw/zinc/51/46/64/1440514664.db2.gz QNYXWWGZPUOOGC-UHFFFAOYSA-N 2 0 345.531 3.006 20 0 EGADRP C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCC(C)(C)C)C2)CC1 ZINC001753876114 1440519233 /nfs/dbraw/zinc/51/92/33/1440519233.db2.gz RABLMMLEGNCXRX-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CN(CC[N@H+](C)CCC1=CCCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001753877550 1440519988 /nfs/dbraw/zinc/51/99/88/1440519988.db2.gz VYYQTQVKMNXQNI-VQTJNVASSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC2CCCCC2)CCC1 ZINC001753886753 1440521361 /nfs/dbraw/zinc/52/13/61/1440521361.db2.gz DKXCABHPFPFIMH-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753899813 1440523403 /nfs/dbraw/zinc/52/34/03/1440523403.db2.gz OZQNMIYJHFSMTJ-PMACEKPBSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)CCC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753999713 1440530111 /nfs/dbraw/zinc/53/01/11/1440530111.db2.gz OUCHINNRPXWNKA-QFBILLFUSA-N 2 0 343.531 3.120 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001754025303 1440533038 /nfs/dbraw/zinc/53/30/38/1440533038.db2.gz ILQVUYAFTJDHLV-APWZRJJASA-N 2 0 349.494 3.015 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001754156690 1440545770 /nfs/dbraw/zinc/54/57/70/1440545770.db2.gz NEBLHPBGNMCSTK-QWNKOJSDSA-N 2 0 343.515 3.192 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754278023 1440562575 /nfs/dbraw/zinc/56/25/75/1440562575.db2.gz IHXAFXLMOKIGSN-LPHOPBHVSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001754296436 1440566484 /nfs/dbraw/zinc/56/64/84/1440566484.db2.gz LWWILIUQZCZDPD-AZUAARDMSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001754382280 1440593438 /nfs/dbraw/zinc/59/34/38/1440593438.db2.gz PQXCXUAGOLVOFQ-HXUWFJFHSA-N 2 0 345.531 3.054 20 0 EGADRP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754402308 1440595352 /nfs/dbraw/zinc/59/53/52/1440595352.db2.gz CVOJFUMXYYHTBJ-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCCC(C)(C)C ZINC001754417113 1440596916 /nfs/dbraw/zinc/59/69/16/1440596916.db2.gz XXRIFSOGPSWVPT-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001754445199 1440599836 /nfs/dbraw/zinc/59/98/36/1440599836.db2.gz PKLCUBFXWKWMLJ-IBGZPJMESA-N 2 0 342.487 3.177 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001754493309 1440611050 /nfs/dbraw/zinc/61/10/50/1440611050.db2.gz UTILPSCVYVPJCG-QFBILLFUSA-N 2 0 331.504 3.013 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001754505071 1440615915 /nfs/dbraw/zinc/61/59/15/1440615915.db2.gz PZMCRPGUSMCDKQ-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001754558211 1440632493 /nfs/dbraw/zinc/63/24/93/1440632493.db2.gz ZRIGEVSNNKXHSL-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001754568950 1440636738 /nfs/dbraw/zinc/63/67/38/1440636738.db2.gz IJNGGCBAKZUMQW-SHTLVRLNSA-N 2 0 347.547 3.143 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001754601932 1440642591 /nfs/dbraw/zinc/64/25/91/1440642591.db2.gz WQJDCTFVRBDAKQ-ZMGAVLDPSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754617221 1440644732 /nfs/dbraw/zinc/64/47/32/1440644732.db2.gz IUWDDIQEDHBXNT-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CCCCCC1)C1CCCC1 ZINC001754651910 1440652191 /nfs/dbraw/zinc/65/21/91/1440652191.db2.gz WCMINNOQZSQXJD-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001754685053 1440664521 /nfs/dbraw/zinc/66/45/21/1440664521.db2.gz CSVCMEVBKTYNFC-FQEVSTJZSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001754685243 1440664614 /nfs/dbraw/zinc/66/46/14/1440664614.db2.gz HJEJYZOAYAROOK-FQEVSTJZSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754697311 1440667257 /nfs/dbraw/zinc/66/72/57/1440667257.db2.gz OUDFBZDXTKRAHE-FQQSSWHASA-N 2 0 335.536 3.045 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001754719657 1440672702 /nfs/dbraw/zinc/67/27/02/1440672702.db2.gz WPRMMUZHQIEJAS-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1=CCCCC1)C2 ZINC001754782688 1440686738 /nfs/dbraw/zinc/68/67/38/1440686738.db2.gz GSTFIGRULYBRTG-UFYCRDLUSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1=CCCCC1)C2 ZINC001754782820 1440686746 /nfs/dbraw/zinc/68/67/46/1440686746.db2.gz HLVHVLVKQYVRQI-UFYCRDLUSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001754833632 1440696358 /nfs/dbraw/zinc/69/63/58/1440696358.db2.gz HAUVEZKFNYDNDH-CADBVGFASA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)CCC1 ZINC001754953039 1440715574 /nfs/dbraw/zinc/71/55/74/1440715574.db2.gz PGZPNABAHZSKDA-SAABIXHNSA-N 2 0 349.563 3.172 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001755024563 1440728082 /nfs/dbraw/zinc/72/80/82/1440728082.db2.gz CRYPFVPQHZDYKP-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cccc(CC)c2)CC1 ZINC001755030729 1440731316 /nfs/dbraw/zinc/73/13/16/1440731316.db2.gz GKQKTWUHOUDMLY-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001755044331 1440739528 /nfs/dbraw/zinc/73/95/28/1440739528.db2.gz QDKGHJXWWCLFSB-ROUUACIJSA-N 2 0 339.568 3.323 20 0 EGADRP CCCC[NH2+]C1(CC)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001755070235 1440746239 /nfs/dbraw/zinc/74/62/39/1440746239.db2.gz XYEHXZZNJFEPNL-UHFFFAOYSA-N 2 0 342.487 3.417 20 0 EGADRP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001755072574 1440747120 /nfs/dbraw/zinc/74/71/20/1440747120.db2.gz LNXUAXARSOMTJX-IPLHWJFFSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)CC1(C)C ZINC001755144178 1440762550 /nfs/dbraw/zinc/76/25/50/1440762550.db2.gz XOWGEGUSFVJXAV-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001755165648 1440767100 /nfs/dbraw/zinc/76/71/00/1440767100.db2.gz PGSPHODWKZWEQG-MJGOQNOKSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001755184044 1440772270 /nfs/dbraw/zinc/77/22/70/1440772270.db2.gz MDPMHEURYDMPSC-UHFFFAOYSA-N 2 0 339.568 3.325 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001755201290 1440779826 /nfs/dbraw/zinc/77/98/26/1440779826.db2.gz QJWJNJBVUGSLRK-VQTJNVASSA-N 2 0 345.531 3.401 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](CCC3CC3)C2)CC1 ZINC001755205390 1440782060 /nfs/dbraw/zinc/78/20/60/1440782060.db2.gz RRVCNVOPSRKTAX-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCCC1CCCC1 ZINC001755239730 1440789285 /nfs/dbraw/zinc/78/92/85/1440789285.db2.gz GNZYEKRGOVJUAN-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]([NH2+]CCCC1CCCC1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001755239728 1440789294 /nfs/dbraw/zinc/78/92/94/1440789294.db2.gz GNZYEKRGOVJUAN-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001755289381 1440803287 /nfs/dbraw/zinc/80/32/87/1440803287.db2.gz LTXQJZVFPLSYDO-MSOLQXFVSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1cccc(C)c1C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001755300485 1440808094 /nfs/dbraw/zinc/80/80/94/1440808094.db2.gz QMYWCKWEPQZMHN-QUCCMNQESA-N 2 0 345.531 3.113 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300675 1440808475 /nfs/dbraw/zinc/80/84/75/1440808475.db2.gz VOQLZVQHVGAMMW-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(F)cc1 ZINC001755319873 1440818052 /nfs/dbraw/zinc/81/80/52/1440818052.db2.gz LCPZYHBLACSUNF-APWZRJJASA-N 2 0 349.494 3.025 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H]([NH2+]CC=C(C)C)C(C)C)CC[N@@H+]1C ZINC001755339671 1440824676 /nfs/dbraw/zinc/82/46/76/1440824676.db2.gz LSRACRBBLQKESX-GBESFXJTSA-N 2 0 337.552 3.146 20 0 EGADRP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001755388000 1440841226 /nfs/dbraw/zinc/84/12/26/1440841226.db2.gz VOOJIPNHOLCBKF-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755414972 1440848171 /nfs/dbraw/zinc/84/81/71/1440848171.db2.gz CNZDQYBRKXCXHT-UEKDZROGSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2C1 ZINC001755451128 1440853451 /nfs/dbraw/zinc/85/34/51/1440853451.db2.gz BFMVLXBJTPTNEH-VAMGGRTRSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2C1 ZINC001755451428 1440853715 /nfs/dbraw/zinc/85/37/15/1440853715.db2.gz FZKUJYLTYYBQHW-VAMGGRTRSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001755477548 1440859699 /nfs/dbraw/zinc/85/96/99/1440859699.db2.gz XDCPUJIZFCBYGX-ZHALLVOQSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001755483707 1440860528 /nfs/dbraw/zinc/86/05/28/1440860528.db2.gz SPCMHEPIUXOELW-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001755529749 1440866546 /nfs/dbraw/zinc/86/65/46/1440866546.db2.gz HFSBZNULTNRGAO-IBGZPJMESA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001755552908 1440872715 /nfs/dbraw/zinc/87/27/15/1440872715.db2.gz GNKCHJZEVKLTBM-RBUKOAKNSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001755587950 1440880731 /nfs/dbraw/zinc/88/07/31/1440880731.db2.gz NTAVULRMHNXMFH-IEBWSBKVSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2 ZINC001755704117 1440901523 /nfs/dbraw/zinc/90/15/23/1440901523.db2.gz HWVKDSMRYXCTMK-PZJWPPBQSA-N 2 0 347.547 3.166 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CC3(CCC3)C1)CC2 ZINC001755704392 1440901969 /nfs/dbraw/zinc/90/19/69/1440901969.db2.gz LCBWVTQLGJOXBP-NQIIRXRSSA-N 2 0 347.547 3.022 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@@]3(NC(=O)CCC[NH+]4CCCC4)CCC[C@@H]23)C1 ZINC001755704791 1440901997 /nfs/dbraw/zinc/90/19/97/1440901997.db2.gz QHDGPKFQVQETBU-BRAJZSMUSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCC1CCCC1)CC2 ZINC001755705204 1440902476 /nfs/dbraw/zinc/90/24/76/1440902476.db2.gz VWOYSZXNTVJEFI-ICSRJNTNSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001755712622 1440903972 /nfs/dbraw/zinc/90/39/72/1440903972.db2.gz NPLBBHYRMYJSAL-XUVXKRRUSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001755722818 1440908152 /nfs/dbraw/zinc/90/81/52/1440908152.db2.gz OSCZOTCMHHBPHC-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001755722816 1440908237 /nfs/dbraw/zinc/90/82/37/1440908237.db2.gz OSCZOTCMHHBPHC-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001755743599 1440912096 /nfs/dbraw/zinc/91/20/96/1440912096.db2.gz KRMGKDOEDZKXHV-AZUAARDMSA-N 2 0 347.547 3.093 20 0 EGADRP CCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC001755774535 1440917132 /nfs/dbraw/zinc/91/71/32/1440917132.db2.gz MWYHOHQJNKCAKE-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)N(CC[N@H+](C)CCC1=CCCCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755817715 1440924663 /nfs/dbraw/zinc/92/46/63/1440924663.db2.gz WDNSKRTWQKGOKY-HXUWFJFHSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001755826003 1440927248 /nfs/dbraw/zinc/92/72/48/1440927248.db2.gz YTUSOOVVTHOGFM-IRXDYDNUSA-N 2 0 339.568 3.273 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001755829288 1440928274 /nfs/dbraw/zinc/92/82/74/1440928274.db2.gz AWTPRUDLUMNKSD-YTQUADARSA-N 2 0 349.563 3.338 20 0 EGADRP CCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755843314 1440932408 /nfs/dbraw/zinc/93/24/08/1440932408.db2.gz CJJFLNVGZWBVST-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP c1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)ncc1C[NH+]1CCCC1 ZINC001164417312 718892588 /nfs/dbraw/zinc/89/25/88/718892588.db2.gz JJFFVPDELXYRQU-IBGZPJMESA-N 2 0 328.504 3.036 20 0 EGADRP c1cn(-c2cc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c2)cn1 ZINC001165050149 721977394 /nfs/dbraw/zinc/97/73/94/721977394.db2.gz VDFKRKHGVMNEPV-KRWDZBQOSA-N 2 0 325.460 3.112 20 0 EGADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825313329 947149203 /nfs/dbraw/zinc/14/92/03/947149203.db2.gz BJONHYQBDNYWEK-HNNXBMFYSA-N 2 0 330.480 3.029 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825411945 947181027 /nfs/dbraw/zinc/18/10/27/947181027.db2.gz ILCWXMGFVZCHQX-ZIAGYGMSSA-N 2 0 348.470 3.167 20 0 EGADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261667507 282079568 /nfs/dbraw/zinc/07/95/68/282079568.db2.gz LIJLHIPJESZTJS-RCCFBDPRSA-N 2 0 326.488 3.245 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368566809 168373325 /nfs/dbraw/zinc/37/33/25/168373325.db2.gz JZZBQJSFORKDAE-DFEOGRTESA-N 2 0 332.488 3.074 20 0 EGADRP C[C@H]([NH2+]CCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000313736278 547463611 /nfs/dbraw/zinc/46/36/11/547463611.db2.gz DWKFMIWRXZNRPI-ZDUSSCGKSA-N 2 0 325.294 3.312 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3cc(F)ccc32)ccn1 ZINC000183408502 235055573 /nfs/dbraw/zinc/05/55/73/235055573.db2.gz LHIJPFNKKQHDGY-IBGZPJMESA-N 2 0 343.446 3.328 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCS2 ZINC000187167905 236134792 /nfs/dbraw/zinc/13/47/92/236134792.db2.gz SDBQVYIQXOMVCM-SJLPKXTDSA-N 2 0 333.545 3.066 20 0 EGADRP CC(C)n1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272245407 201249125 /nfs/dbraw/zinc/24/91/25/201249125.db2.gz XGEAZMAYPNRVGI-FXAWDEMLSA-N 2 0 326.488 3.464 20 0 EGADRP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272665213 201252686 /nfs/dbraw/zinc/25/26/86/201252686.db2.gz SDAZVAITEQODCP-QGZVKYPTSA-N 2 0 327.516 3.112 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000056522135 202712522 /nfs/dbraw/zinc/71/25/22/202712522.db2.gz OACPRLXDKVLRGL-UHFFFAOYSA-N 2 0 337.895 3.332 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccco3)s2)C[C@H](C)O1 ZINC000193064567 240001763 /nfs/dbraw/zinc/00/17/63/240001763.db2.gz BIHAGXAPYVVOFD-GJZGRUSLSA-N 2 0 349.500 3.382 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCO[C@@H]1CCCCO1 ZINC000193120027 240030596 /nfs/dbraw/zinc/03/05/96/240030596.db2.gz QQYLAYSEEXOHSW-CMKODMSKSA-N 2 0 346.515 3.276 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000194022451 240406063 /nfs/dbraw/zinc/40/60/63/240406063.db2.gz ZWVKHCAQHBOWME-XRXFAXGQSA-N 2 0 340.511 3.098 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000236663712 242310584 /nfs/dbraw/zinc/31/05/84/242310584.db2.gz XVIDWHUYCUZXHF-FQEVSTJZSA-N 2 0 339.483 3.233 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000236866356 242389097 /nfs/dbraw/zinc/38/90/97/242389097.db2.gz UEOVNYNOCQHVPL-LPHOPBHVSA-N 2 0 329.488 3.395 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000236878045 242391508 /nfs/dbraw/zinc/39/15/08/242391508.db2.gz GMZKCICUWVKKND-ZWKOTPCHSA-N 2 0 345.512 3.337 20 0 EGADRP COc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000091343534 203631775 /nfs/dbraw/zinc/63/17/75/203631775.db2.gz ZYRIZKVRAANZBJ-UTKZUKDTSA-N 2 0 346.515 3.483 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000105441950 204145797 /nfs/dbraw/zinc/14/57/97/204145797.db2.gz OKBWKWJAKWYLHS-SFHVURJKSA-N 2 0 341.499 3.310 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000130340269 205235523 /nfs/dbraw/zinc/23/55/23/205235523.db2.gz POLBGMAVDDLLML-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000130443420 205240165 /nfs/dbraw/zinc/24/01/65/205240165.db2.gz DHRHOVCTTJYSLN-OAHLLOKOSA-N 2 0 330.501 3.054 20 0 EGADRP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130489846 205242108 /nfs/dbraw/zinc/24/21/08/205242108.db2.gz APWVYNKVNKPHMK-HNNXBMFYSA-N 2 0 330.501 3.054 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131280420 205280119 /nfs/dbraw/zinc/28/01/19/205280119.db2.gz AQKFJTUFFIBHMR-CJTUPEFNSA-N 2 0 331.287 3.345 20 0 EGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133024550 205353219 /nfs/dbraw/zinc/35/32/19/205353219.db2.gz JGVREPBHBBFIHH-KSZLIROESA-N 2 0 346.515 3.278 20 0 EGADRP CCOCCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133096593 205354750 /nfs/dbraw/zinc/35/47/50/205354750.db2.gz RUQADSZUQKCYNH-UHFFFAOYSA-N 2 0 333.520 3.123 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)Cc3ccccc3)CC2)C1 ZINC000158192076 206177811 /nfs/dbraw/zinc/17/78/11/206177811.db2.gz WFTXAZNICODSCC-IOMROCGXSA-N 2 0 330.516 3.223 20 0 EGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000158441354 206190500 /nfs/dbraw/zinc/19/05/00/206190500.db2.gz ZOHRKINJXPLXDT-FQEVSTJZSA-N 2 0 338.499 3.383 20 0 EGADRP Cc1ccoc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000266186577 248157022 /nfs/dbraw/zinc/15/70/22/248157022.db2.gz HNCKALJBEMPKFX-CALCHBBNSA-N 2 0 328.456 3.487 20 0 EGADRP Cc1noc(C)c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377335111 169011753 /nfs/dbraw/zinc/01/17/53/169011753.db2.gz FRZUEHOYCBZLAH-RBUKOAKNSA-N 2 0 325.456 3.245 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237344241 296314399 /nfs/dbraw/zinc/31/43/99/296314399.db2.gz BIEUGLPFJADJJP-UTKZUKDTSA-N 2 0 343.515 3.067 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccccc1 ZINC000176939929 207276628 /nfs/dbraw/zinc/27/66/28/207276628.db2.gz VZEUNNLFCQTQSQ-LJQANCHMSA-N 2 0 340.471 3.165 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc2ccccc21)CN1CC[NH+](C)CC1 ZINC000177293947 207316524 /nfs/dbraw/zinc/31/65/24/207316524.db2.gz FDDUJWCVNNGSLG-QZTJIDSGSA-N 2 0 325.500 3.374 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](CC)CC)cc1)c1cnn(C)c1 ZINC000268772227 252222242 /nfs/dbraw/zinc/22/22/42/252222242.db2.gz MFQWAOCOCZMEKD-FQEVSTJZSA-N 2 0 344.503 3.382 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000268764268 252213935 /nfs/dbraw/zinc/21/39/35/252213935.db2.gz IRTLXFISOZAAKM-NHCUHLMSSA-N 2 0 345.506 3.049 20 0 EGADRP Brc1cccc(NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000352970155 532968022 /nfs/dbraw/zinc/96/80/22/532968022.db2.gz UNBZYJYAYNZJFA-HOTGVXAUSA-N 2 0 338.293 3.077 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000193028256 285362148 /nfs/dbraw/zinc/36/21/48/285362148.db2.gz RKENWJBASJOQPS-ACRUOGEOSA-N 2 0 343.515 3.291 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237482033 141004466 /nfs/dbraw/zinc/00/44/66/141004466.db2.gz HZEZSIWLVYQJPN-OXJNMPFZSA-N 2 0 337.467 3.028 20 0 EGADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246936732 141044647 /nfs/dbraw/zinc/04/46/47/141044647.db2.gz HKYUZWXWYKYFRM-KURKYZTESA-N 2 0 334.504 3.201 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246983299 141047337 /nfs/dbraw/zinc/04/73/37/141047337.db2.gz OZHLVIWPZODFQP-BBRMVZONSA-N 2 0 332.879 3.143 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000268826838 141059180 /nfs/dbraw/zinc/05/91/80/141059180.db2.gz BEDGRBDOIWEWIZ-ZWOKBUDYSA-N 2 0 334.504 3.050 20 0 EGADRP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347971600 141226415 /nfs/dbraw/zinc/22/64/15/141226415.db2.gz XYUFCUMNRNHOHF-YSIASYRMSA-N 2 0 341.499 3.383 20 0 EGADRP CN(CC[N@H+](C)Cc1cccc(C(F)F)c1)C1CC[NH+](C)CC1 ZINC000348031699 141234559 /nfs/dbraw/zinc/23/45/59/141234559.db2.gz KHEIWNKCSWMUHE-UHFFFAOYSA-N 2 0 325.447 3.082 20 0 EGADRP CC[NH+](CC)[C@H](CNc1cc(C)nc(C)n1)c1cccc(OC)c1 ZINC000353347094 141291708 /nfs/dbraw/zinc/29/17/08/141291708.db2.gz NVPGJZVMNCDLIC-GOSISDBHSA-N 2 0 328.460 3.019 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000353439970 141296363 /nfs/dbraw/zinc/29/63/63/141296363.db2.gz XXGWOPMXPUABHN-HNNXBMFYSA-N 2 0 326.444 3.019 20 0 EGADRP CCSc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000186181059 144127073 /nfs/dbraw/zinc/12/70/73/144127073.db2.gz WOFDZCPEUAGYMM-UHFFFAOYSA-N 2 0 334.529 3.343 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000347032582 144251701 /nfs/dbraw/zinc/25/17/01/144251701.db2.gz ATUJOVXZQTXPSD-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]12 ZINC000351477552 144266335 /nfs/dbraw/zinc/26/63/35/144266335.db2.gz NQUAIGSTNIRLEF-MISYRCLQSA-N 2 0 349.478 3.351 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000341528636 155336391 /nfs/dbraw/zinc/33/63/91/155336391.db2.gz KRSORWCQNDVGTL-UHFFFAOYSA-N 2 0 329.492 3.063 20 0 EGADRP C[NH+](C/C=C/C[N@H+](C)CCC1CCOCC1)CCC1CCOCC1 ZINC000120398975 152272475 /nfs/dbraw/zinc/27/24/75/152272475.db2.gz FKJNHPKHRFQSGT-ONEGZZNKSA-N 2 0 338.536 3.040 20 0 EGADRP Cc1ccc(-c2n[nH]cc2CN2CCN(c3cc(C)ccn3)CC2)o1 ZINC000120889660 152307716 /nfs/dbraw/zinc/30/77/16/152307716.db2.gz ZFUIUHXSGLJLFF-UHFFFAOYSA-N 2 0 337.427 3.004 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236687009 153462263 /nfs/dbraw/zinc/46/22/63/153462263.db2.gz KZYXSFPTPMJNCO-UHFFFAOYSA-N 2 0 331.504 3.054 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182316 154038419 /nfs/dbraw/zinc/03/84/19/154038419.db2.gz KWAJSIHOUMEQGC-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@]1(C[NH2+]C2CCC3(CC2)OCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000311030609 154144855 /nfs/dbraw/zinc/14/48/55/154144855.db2.gz PXSGTYPEDXBWIG-HXUWFJFHSA-N 2 0 344.499 3.174 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCC23CCC3)[C@H](c2ccccc2)C1 ZINC000337402677 154334665 /nfs/dbraw/zinc/33/46/65/154334665.db2.gz QPZXEACHHMUGKT-VQTJNVASSA-N 2 0 327.516 3.288 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000339949360 155046614 /nfs/dbraw/zinc/04/66/14/155046614.db2.gz ALWPMUNPIVEXDR-MRXNPFEDSA-N 2 0 348.450 3.290 20 0 EGADRP Cc1cnc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)n1C ZINC000341049688 155129535 /nfs/dbraw/zinc/12/95/35/155129535.db2.gz PTMKUKUXZABSFR-UHFFFAOYSA-N 2 0 346.906 3.384 20 0 EGADRP COc1ccccc1[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000091334714 286510192 /nfs/dbraw/zinc/51/01/92/286510192.db2.gz RZNZNTJSIAZCPD-UTKZUKDTSA-N 2 0 345.531 3.152 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000346887381 156179903 /nfs/dbraw/zinc/17/99/03/156179903.db2.gz SRKPKDBXLIJOLK-KRWDZBQOSA-N 2 0 345.531 3.455 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)ccc1F ZINC000348904738 156284188 /nfs/dbraw/zinc/28/41/88/156284188.db2.gz NKNKNSYABVPRQB-UHFFFAOYSA-N 2 0 329.891 3.185 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2ncccc2c1 ZINC000349037070 156328264 /nfs/dbraw/zinc/32/82/64/156328264.db2.gz QYKMQQYQMNPXPO-FQEVSTJZSA-N 2 0 340.515 3.083 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)CC[NH+](C)CC1 ZINC000353613350 286657548 /nfs/dbraw/zinc/65/75/48/286657548.db2.gz UXNVHTXHEWYSGJ-AWEZNQCLSA-N 2 0 335.517 3.123 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000093546636 162015299 /nfs/dbraw/zinc/01/52/99/162015299.db2.gz WWKPASKEYGTLGO-NRFANRHFSA-N 2 0 346.515 3.408 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000129328410 162354623 /nfs/dbraw/zinc/35/46/23/162354623.db2.gz URKFBBFFXIHSMH-CJNGLKHVSA-N 2 0 330.394 3.195 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cnn1C ZINC000248419419 163002918 /nfs/dbraw/zinc/00/29/18/163002918.db2.gz VBLQCBHXVSXCTI-FCXXMXSZSA-N 2 0 338.499 3.290 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(F)ccc1F ZINC000248445034 163005671 /nfs/dbraw/zinc/00/56/71/163005671.db2.gz MIEKCFLHVHMIGC-KBXCAEBGSA-N 2 0 346.421 3.382 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248455068 163006665 /nfs/dbraw/zinc/00/66/65/163006665.db2.gz RGUKWIBZULQJEJ-CRAIPNDOSA-N 2 0 330.497 3.474 20 0 EGADRP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C(C)(C)O1 ZINC000248458819 163006761 /nfs/dbraw/zinc/00/67/61/163006761.db2.gz VEEQYGRFUOJDLP-RBUKOAKNSA-N 2 0 346.515 3.079 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000248526603 163011476 /nfs/dbraw/zinc/01/14/76/163011476.db2.gz VBEDHZGYSUVCGF-NHCUHLMSSA-N 2 0 339.483 3.279 20 0 EGADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000249092757 163055283 /nfs/dbraw/zinc/05/52/83/163055283.db2.gz HMLBUPLXGQJSFK-TUNNFDKTSA-N 2 0 342.527 3.488 20 0 EGADRP CC(C)n1nccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000354329016 166004154 /nfs/dbraw/zinc/00/41/54/166004154.db2.gz KQGGCTQUEPCOBG-UHFFFAOYSA-N 2 0 342.487 3.228 20 0 EGADRP Cc1ccc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc(O)c2n1 ZINC000338276231 163203044 /nfs/dbraw/zinc/20/30/44/163203044.db2.gz CJPUOLMFVKPUCA-WMZOPIPTSA-N 2 0 325.456 3.165 20 0 EGADRP C[NH+](C)CCC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000338541082 163267215 /nfs/dbraw/zinc/26/72/15/163267215.db2.gz VEDNSUOHCODWJW-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338779079 163346168 /nfs/dbraw/zinc/34/61/68/163346168.db2.gz NCSKQKILKMQVMW-FQEVSTJZSA-N 2 0 328.500 3.312 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000354807565 166037260 /nfs/dbraw/zinc/03/72/60/166037260.db2.gz DSXNFDKSOFBJSK-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCC2 ZINC000343941455 164070805 /nfs/dbraw/zinc/07/08/05/164070805.db2.gz UBMLYZOOSKQPJB-HXUWFJFHSA-N 2 0 339.483 3.498 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343987646 164077760 /nfs/dbraw/zinc/07/77/60/164077760.db2.gz OFZITLLWRHTXPW-FQEVSTJZSA-N 2 0 341.499 3.379 20 0 EGADRP CCCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000343999180 164079482 /nfs/dbraw/zinc/07/94/82/164079482.db2.gz FJYPQLJYXYHEDC-OALUTQOASA-N 2 0 331.504 3.095 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000344141074 164113616 /nfs/dbraw/zinc/11/36/16/164113616.db2.gz ZNPRYJRESUDMRZ-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP COC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000344305606 164151243 /nfs/dbraw/zinc/15/12/43/164151243.db2.gz VMJPPWZYJRNRRZ-MRXNPFEDSA-N 2 0 328.378 3.244 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344694736 164201122 /nfs/dbraw/zinc/20/11/22/164201122.db2.gz DMUAECODEDEIIH-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+](CC)CC ZINC000345792082 164266863 /nfs/dbraw/zinc/26/68/63/164266863.db2.gz GKESCVITWKGUEP-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+](CC)CC ZINC000345974657 164306658 /nfs/dbraw/zinc/30/66/58/164306658.db2.gz DFVMEAYYHCKIRR-LJQANCHMSA-N 2 0 331.504 3.384 20 0 EGADRP COc1cc(C)nc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000354874233 166052625 /nfs/dbraw/zinc/05/26/25/166052625.db2.gz INWMDIBNKRLMMI-UHFFFAOYSA-N 2 0 340.471 3.142 20 0 EGADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000350946208 165083737 /nfs/dbraw/zinc/08/37/37/165083737.db2.gz BGFRHGXXPWRGAH-IRXDYDNUSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352102078 165237127 /nfs/dbraw/zinc/23/71/27/165237127.db2.gz IAHSZNJWWZKNQT-UHFFFAOYSA-N 2 0 335.923 3.202 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352124136 165248925 /nfs/dbraw/zinc/24/89/25/165248925.db2.gz WADGBJWHHMAQPY-KLAILNCOSA-N 2 0 335.923 3.202 20 0 EGADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000325284308 287139135 /nfs/dbraw/zinc/13/91/35/287139135.db2.gz JQWGHJZXNJIYAP-ZDUSSCGKSA-N 2 0 346.393 3.476 20 0 EGADRP CSC1(C[NH2+][C@H](C)CCc2n[nH]c3ccccc32)CC[NH+](C)CC1 ZINC000353611391 165829524 /nfs/dbraw/zinc/82/95/24/165829524.db2.gz OVRHKIUIOUFOQO-OAHLLOKOSA-N 2 0 346.544 3.301 20 0 EGADRP c1cnn(-c2cccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)c1 ZINC000355206246 166134020 /nfs/dbraw/zinc/13/40/20/166134020.db2.gz LXQDOXXOFSXPBX-GHTZIAJQSA-N 2 0 336.483 3.321 20 0 EGADRP C[NH+](C)C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000355854354 166327910 /nfs/dbraw/zinc/32/79/10/166327910.db2.gz HSONWGDJMMHNGC-QGZVFWFLSA-N 2 0 342.830 3.020 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000356876446 166521857 /nfs/dbraw/zinc/52/18/57/166521857.db2.gz RNCDNBONWZKWRF-IEBWSBKVSA-N 2 0 334.504 3.312 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)[NH+](C)C ZINC000359168551 167086771 /nfs/dbraw/zinc/08/67/71/167086771.db2.gz LZAFEOKEXDZWMB-MBOZVWFJSA-N 2 0 345.531 3.121 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000359176578 167088691 /nfs/dbraw/zinc/08/86/91/167088691.db2.gz OKKZWSKUTMGBEZ-VQIMIIECSA-N 2 0 331.504 3.017 20 0 EGADRP CCOc1cc2c(cc1OCC)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000359193416 167091838 /nfs/dbraw/zinc/09/18/38/167091838.db2.gz REGNZAMETMDTTL-UHFFFAOYSA-N 2 0 332.488 3.232 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2cc(OC)ccc2c1 ZINC000360239948 167279261 /nfs/dbraw/zinc/27/92/61/167279261.db2.gz DAMCPDKAUMKHRJ-PZJWPPBQSA-N 2 0 342.483 3.346 20 0 EGADRP CC[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000360250232 167282140 /nfs/dbraw/zinc/28/21/40/167282140.db2.gz OHSQGAMJGJDUHZ-BBRMVZONSA-N 2 0 331.287 3.491 20 0 EGADRP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000360587950 167364135 /nfs/dbraw/zinc/36/41/35/167364135.db2.gz FXERJOXERPRTHP-YLJYHZDGSA-N 2 0 334.504 3.058 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)c2ccccc2C1 ZINC000365800947 168045124 /nfs/dbraw/zinc/04/51/24/168045124.db2.gz ZOCWGDUNEDFAPY-FPOVZHCZSA-N 2 0 341.499 3.086 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCSCc1ccccc1 ZINC000366833340 168146638 /nfs/dbraw/zinc/14/66/38/168146638.db2.gz KMCHPGXNCATZBL-GUDVDZBRSA-N 2 0 334.529 3.103 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227133171 266199768 /nfs/dbraw/zinc/19/97/68/266199768.db2.gz VDIREGCTJOHDKT-CVEARBPZSA-N 2 0 327.513 3.096 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000229067068 266203070 /nfs/dbraw/zinc/20/30/70/266203070.db2.gz YCKPZZOGLXHJKF-CVEARBPZSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000273311443 267018394 /nfs/dbraw/zinc/01/83/94/267018394.db2.gz WSCUYSNKYMBOIV-SQNIBIBYSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ncc(Br)cc1F ZINC000275302001 267343113 /nfs/dbraw/zinc/34/31/13/267343113.db2.gz IAPWEXLBRNSMSB-NSHDSACASA-N 2 0 344.272 3.366 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000275448109 267362431 /nfs/dbraw/zinc/36/24/31/267362431.db2.gz IIZMFUYSQBSIEY-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000278562266 268040639 /nfs/dbraw/zinc/04/06/39/268040639.db2.gz PDIIBUDVZBFAOA-JXFKEZNVSA-N 2 0 332.488 3.163 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154465198 274339824 /nfs/dbraw/zinc/33/98/24/274339824.db2.gz CSKYOCFEHLBGTE-ZRGWGRIASA-N 2 0 326.488 3.119 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181250127 274340154 /nfs/dbraw/zinc/34/01/54/274340154.db2.gz JCGUMFGZXSQZQG-KYZVSKTDSA-N 2 0 339.886 3.376 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC000110820025 275181566 /nfs/dbraw/zinc/18/15/66/275181566.db2.gz BNUJACVZTWFMEN-KRWDZBQOSA-N 2 0 337.305 3.382 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000192522920 275224274 /nfs/dbraw/zinc/22/42/74/275224274.db2.gz RAACSUWNAKUBKK-OAQYLSRUSA-N 2 0 339.483 3.017 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278924503 275288069 /nfs/dbraw/zinc/28/80/69/275288069.db2.gz VDZMLXVLFOZNFS-UHFFFAOYSA-N 2 0 341.902 3.027 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000279736223 275354823 /nfs/dbraw/zinc/35/48/23/275354823.db2.gz ODSIRJVUEVFFSM-YHELAOLJSA-N 2 0 348.531 3.489 20 0 EGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280274049 275430572 /nfs/dbraw/zinc/43/05/72/275430572.db2.gz MECFJPBUCXANMF-CVEARBPZSA-N 2 0 337.939 3.448 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000286866695 276051781 /nfs/dbraw/zinc/05/17/81/276051781.db2.gz BNALISFYXXGUNB-YUXAGFNASA-N 2 0 338.495 3.090 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346219557 276100439 /nfs/dbraw/zinc/10/04/39/276100439.db2.gz MYSOBYPUGNCLIP-HXUWFJFHSA-N 2 0 341.499 3.476 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(F)cn1 ZINC000287302062 276105675 /nfs/dbraw/zinc/10/56/75/276105675.db2.gz CLIRYBSTUFGXEG-AWEZNQCLSA-N 2 0 344.434 3.192 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287610406 276139346 /nfs/dbraw/zinc/13/93/46/276139346.db2.gz JDKPAVQMAVHZAW-HNNXBMFYSA-N 2 0 327.476 3.181 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000359925413 276199638 /nfs/dbraw/zinc/19/96/38/276199638.db2.gz MEFCNSJDOXJIRM-IIAWOOMASA-N 2 0 339.574 3.289 20 0 EGADRP CCC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccnc1 ZINC000288581285 276230778 /nfs/dbraw/zinc/23/07/78/276230778.db2.gz AAQRZIHDFUWUDB-IBGZPJMESA-N 2 0 342.487 3.438 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Cl)cs1 ZINC000288721197 276245371 /nfs/dbraw/zinc/24/53/71/276245371.db2.gz ZZQRTHWLWBNRRU-UHFFFAOYSA-N 2 0 339.892 3.417 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000151101529 276263420 /nfs/dbraw/zinc/26/34/20/276263420.db2.gz RAVWHMPNAXHMPI-JKSUJKDBSA-N 2 0 344.503 3.353 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000289732584 276385387 /nfs/dbraw/zinc/38/53/87/276385387.db2.gz LTAJEKCNAZHKJG-MSOLQXFVSA-N 2 0 340.515 3.159 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000289732586 276385454 /nfs/dbraw/zinc/38/54/54/276385454.db2.gz LTAJEKCNAZHKJG-QZTJIDSGSA-N 2 0 340.515 3.159 20 0 EGADRP COCCOCc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000289776847 276392380 /nfs/dbraw/zinc/39/23/80/276392380.db2.gz PQUSCLVDIZHADY-UHFFFAOYSA-N 2 0 342.483 3.201 20 0 EGADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccnc1 ZINC000092746387 278378833 /nfs/dbraw/zinc/37/88/33/278378833.db2.gz YPDSJYUYTHBLHM-HZPDHXFCSA-N 2 0 342.462 3.384 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000340598733 279092748 /nfs/dbraw/zinc/09/27/48/279092748.db2.gz ALJLAZYBRNNJFU-LMMKCTJWSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1)C(C)C ZINC000262755801 279234691 /nfs/dbraw/zinc/23/46/91/279234691.db2.gz OTUWDNZWNFTZNC-QFBILLFUSA-N 2 0 331.504 3.259 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000354266103 279266833 /nfs/dbraw/zinc/26/68/33/279266833.db2.gz MPNIIGATFJBCLP-UXHICEINSA-N 2 0 343.515 3.123 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236654987 279384453 /nfs/dbraw/zinc/38/44/53/279384453.db2.gz IGRUWDITJPYPEF-QZTJIDSGSA-N 2 0 345.531 3.169 20 0 EGADRP COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1OC ZINC000261950795 295122427 /nfs/dbraw/zinc/12/24/27/295122427.db2.gz NYPNJNANBAVHIB-RBUKOAKNSA-N 2 0 346.515 3.491 20 0 EGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000150990436 301209509 /nfs/dbraw/zinc/20/95/09/301209509.db2.gz HOXXRLJRKKWJCZ-FQEVSTJZSA-N 2 0 345.531 3.133 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1C[C@H]1C ZINC000414093581 309060555 /nfs/dbraw/zinc/06/05/55/309060555.db2.gz MJWRATHECIKCTN-UXPWSPDFSA-N 2 0 343.515 3.036 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C)c1 ZINC000414092620 309060605 /nfs/dbraw/zinc/06/06/05/309060605.db2.gz FFULHQRCCVYHQS-INIZCTEOSA-N 2 0 343.471 3.190 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000414130628 309062624 /nfs/dbraw/zinc/06/26/24/309062624.db2.gz WVCHYQGXMLMIEF-CVEARBPZSA-N 2 0 344.528 3.097 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cc(F)c(Cl)cc1Cl ZINC000151854610 307740436 /nfs/dbraw/zinc/74/04/36/307740436.db2.gz FNHKRHCVGNUMKT-NSHDSACASA-N 2 0 349.277 3.487 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[NH+]1CCCCC1 ZINC000154571596 307796642 /nfs/dbraw/zinc/79/66/42/307796642.db2.gz SKZIAXWXAUYBOR-LJQANCHMSA-N 2 0 349.494 3.014 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCCO1 ZINC000248410138 308002461 /nfs/dbraw/zinc/00/24/61/308002461.db2.gz GSGQJGBMUOWQDG-ADAARDCZSA-N 2 0 328.500 3.444 20 0 EGADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCCC1 ZINC000248621773 308007545 /nfs/dbraw/zinc/00/75/45/308007545.db2.gz ASBCBBHCTYRZLF-VAMGGRTRSA-N 2 0 328.500 3.039 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000248726328 308010073 /nfs/dbraw/zinc/01/00/73/308010073.db2.gz NDJKXXIUBMSGEX-UTKZUKDTSA-N 2 0 343.515 3.209 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000252643766 308032476 /nfs/dbraw/zinc/03/24/76/308032476.db2.gz HVJYAKLHDQNPAD-RXVVDRJESA-N 3 0 329.532 3.492 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000262663540 308065017 /nfs/dbraw/zinc/06/50/17/308065017.db2.gz HTDAKOWFQZINSI-RCCFBDPRSA-N 2 0 337.552 3.029 20 0 EGADRP CC1(C)CCC[C@]1(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000293026435 308091377 /nfs/dbraw/zinc/09/13/77/308091377.db2.gz RFCXEVPDRSKUMZ-NRFANRHFSA-N 2 0 330.516 3.224 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293764707 308159849 /nfs/dbraw/zinc/15/98/49/308159849.db2.gz ROINLGGXDAWFND-NSHGMRRFSA-N 2 0 345.531 3.039 20 0 EGADRP CC[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000294076097 308188165 /nfs/dbraw/zinc/18/81/65/308188165.db2.gz YRSMITAHUZYBBQ-UHFFFAOYSA-N 2 0 336.430 3.232 20 0 EGADRP COc1ccc(OC)c([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000294281301 308206601 /nfs/dbraw/zinc/20/66/01/308206601.db2.gz SSHJDDSNUZHMOB-HNNXBMFYSA-N 2 0 341.455 3.418 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000295338957 308316113 /nfs/dbraw/zinc/31/61/13/308316113.db2.gz BEFCSEZCAZDERL-INIZCTEOSA-N 2 0 339.474 3.076 20 0 EGADRP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414700382 309096085 /nfs/dbraw/zinc/09/60/85/309096085.db2.gz GGZHAHRQICUXBR-ICSRJNTNSA-N 2 0 343.515 3.028 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414704667 309096318 /nfs/dbraw/zinc/09/63/18/309096318.db2.gz MQUSUXNCPOXOMJ-IAGOWNOFSA-N 2 0 326.488 3.329 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706327 309096444 /nfs/dbraw/zinc/09/64/44/309096444.db2.gz LPRKLBVZWHKPOV-ZHHKINOHSA-N 3 0 341.543 3.361 20 0 EGADRP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414715023 309096853 /nfs/dbraw/zinc/09/68/53/309096853.db2.gz WYOYRXUZSLVKAZ-ZHALLVOQSA-N 2 0 332.488 3.064 20 0 EGADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2CCC2CCCCC2)C1 ZINC000414716139 309097093 /nfs/dbraw/zinc/09/70/93/309097093.db2.gz ZJTNLISIPDONDF-MOPGFXCFSA-N 2 0 335.536 3.009 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000414663917 309094298 /nfs/dbraw/zinc/09/42/98/309094298.db2.gz BTQRVJRPJWYHLY-GMXVVIOVSA-N 2 0 329.307 3.378 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3ccsc3)s2)CC12CCOCC2 ZINC000414775268 309100326 /nfs/dbraw/zinc/10/03/26/309100326.db2.gz GJLVMIDRNLJTNB-AWEZNQCLSA-N 2 0 349.525 3.059 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414779859 309100600 /nfs/dbraw/zinc/10/06/00/309100600.db2.gz KSFJJURLLFIIHF-ROUUACIJSA-N 2 0 332.488 3.306 20 0 EGADRP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414779598 309100692 /nfs/dbraw/zinc/10/06/92/309100692.db2.gz KMXFLWLXCKJOJH-CVEARBPZSA-N 2 0 342.405 3.449 20 0 EGADRP c1cnc(Oc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414784591 309100970 /nfs/dbraw/zinc/10/09/70/309100970.db2.gz RMNGMJCIGSVXBB-MSOLQXFVSA-N 2 0 338.455 3.090 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414799589 309102240 /nfs/dbraw/zinc/10/22/40/309102240.db2.gz KDNUILOEXAMVLZ-JSGCOSHPSA-N 2 0 334.357 3.374 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414811938 309103026 /nfs/dbraw/zinc/10/30/26/309103026.db2.gz JYVMSLUDPRWQAB-JWTNVVGKSA-N 2 0 332.451 3.398 20 0 EGADRP CN(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000298567587 308625193 /nfs/dbraw/zinc/62/51/93/308625193.db2.gz WQSRVFBEUPTQQE-FQEVSTJZSA-N 2 0 342.462 3.082 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414834507 309104654 /nfs/dbraw/zinc/10/46/54/309104654.db2.gz SJQSIRSEQYTQEZ-INIZCTEOSA-N 2 0 346.496 3.425 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414837590 309104811 /nfs/dbraw/zinc/10/48/11/309104811.db2.gz KLZTWNLANZJJSH-HUUCEWRRSA-N 2 0 337.895 3.345 20 0 EGADRP CCc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000301769087 308714414 /nfs/dbraw/zinc/71/44/14/308714414.db2.gz CSMOSIICCODTIB-OAQYLSRUSA-N 2 0 340.515 3.481 20 0 EGADRP Cc1ccc2[nH+]ccc(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000302135848 308730263 /nfs/dbraw/zinc/73/02/63/308730263.db2.gz AYUDDJCNFLMZAH-QGZVFWFLSA-N 2 0 325.456 3.092 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000346796455 308882796 /nfs/dbraw/zinc/88/27/96/308882796.db2.gz PQQIBGUZVDFSLI-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000392673957 308902250 /nfs/dbraw/zinc/90/22/50/308902250.db2.gz OBRJHNNVYVFCTG-LPHOPBHVSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411623755 308946133 /nfs/dbraw/zinc/94/61/33/308946133.db2.gz ZVZDCVSTLCLEOL-MJGOQNOKSA-N 2 0 337.552 3.170 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412148984 308971509 /nfs/dbraw/zinc/97/15/09/308971509.db2.gz JHLBHKQWSKTXAZ-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413166326 309019210 /nfs/dbraw/zinc/01/92/10/309019210.db2.gz KFEKTOKKVBZZLD-UXHICEINSA-N 2 0 341.499 3.029 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)c2cc1OC ZINC000413286115 309025181 /nfs/dbraw/zinc/02/51/81/309025181.db2.gz YNQQFBAMJVPCAF-GJZGRUSLSA-N 2 0 341.455 3.315 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000414849000 309105491 /nfs/dbraw/zinc/10/54/91/309105491.db2.gz WXSASFXJJHKIFU-SLFFLAALSA-N 2 0 327.516 3.148 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCCCC1 ZINC000414849005 309105546 /nfs/dbraw/zinc/10/55/46/309105546.db2.gz WXSASFXJJHKIFU-VAMGGRTRSA-N 2 0 327.516 3.148 20 0 EGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414858175 309105946 /nfs/dbraw/zinc/10/59/46/309105946.db2.gz RCIRBVCYWKDKTR-GFCCVEGCSA-N 2 0 338.377 3.185 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414859937 309105973 /nfs/dbraw/zinc/10/59/73/309105973.db2.gz UZYHUZUTBJVXGW-WCQYABFASA-N 2 0 329.257 3.108 20 0 EGADRP C[C@H](C[NH3+])CNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000414872785 309106604 /nfs/dbraw/zinc/10/66/04/309106604.db2.gz GDEWOYPDTMGKFW-LLVKDONJSA-N 2 0 325.865 3.060 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414899818 309108193 /nfs/dbraw/zinc/10/81/93/309108193.db2.gz GFNWPIHIKTVWRM-UHFFFAOYSA-N 2 0 340.290 3.401 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414901331 309108238 /nfs/dbraw/zinc/10/82/38/309108238.db2.gz FVSPKGWSXIRNJD-RDTXWAMCSA-N 2 0 337.895 3.345 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414903397 309108425 /nfs/dbraw/zinc/10/84/25/309108425.db2.gz IJCVJKWTENKIIB-CZUORRHYSA-N 2 0 325.294 3.359 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1CNCC[C@H]1CCC[NH2+]1 ZINC000414909599 309108708 /nfs/dbraw/zinc/10/87/08/309108708.db2.gz SYNMVCAMFXZSJZ-QGZVFWFLSA-N 2 0 326.488 3.402 20 0 EGADRP CCOc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1OC(F)F ZINC000414975517 309112446 /nfs/dbraw/zinc/11/24/46/309112446.db2.gz ORHWNHWPGCSMNH-CQSZACIVSA-N 2 0 328.403 3.309 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414978226 309112489 /nfs/dbraw/zinc/11/24/89/309112489.db2.gz SVIRQELXJIDUEL-SFHVURJKSA-N 2 0 335.923 3.426 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414982047 309112761 /nfs/dbraw/zinc/11/27/61/309112761.db2.gz YEZASUOQTCXKLM-BURNTYAHSA-N 3 0 327.516 3.019 20 0 EGADRP COc1c(Br)cccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414991162 309113052 /nfs/dbraw/zinc/11/30/52/309113052.db2.gz ANFMDDNAKRSZPH-AAEUAGOBSA-N 2 0 327.266 3.065 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000414993643 309113187 /nfs/dbraw/zinc/11/31/87/309113187.db2.gz LPCRZRIWYLSJEE-GXTWGEPZSA-N 2 0 328.403 3.294 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000414998506 309113502 /nfs/dbraw/zinc/11/35/02/309113502.db2.gz QVPDWKVBBNZBEI-YEJQALKXSA-N 2 0 339.527 3.003 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000415011020 309114046 /nfs/dbraw/zinc/11/40/46/309114046.db2.gz VQSYBEJXSUHDAF-WBVHZDCISA-N 2 0 335.923 3.412 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000415027981 309115192 /nfs/dbraw/zinc/11/51/92/309115192.db2.gz XPJNHCOFHUAIPA-LLVKDONJSA-N 2 0 337.265 3.056 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000415030330 309115347 /nfs/dbraw/zinc/11/53/47/309115347.db2.gz FQBBYOSXSKHDOX-VQIMIIECSA-N 2 0 347.466 3.151 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)s2)cn1 ZINC000415032819 309115406 /nfs/dbraw/zinc/11/54/06/309115406.db2.gz AXEMTXOFJWUFBI-WMLDXEAASA-N 2 0 330.501 3.113 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000415043418 309116138 /nfs/dbraw/zinc/11/61/38/309116138.db2.gz RWMYWRMIKYIUHX-ZIAGYGMSSA-N 2 0 338.377 3.108 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC(F)F ZINC000415057071 309117015 /nfs/dbraw/zinc/11/70/15/309117015.db2.gz TVDUWULUPLJHRJ-GJZGRUSLSA-N 2 0 340.414 3.261 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000415076441 309118461 /nfs/dbraw/zinc/11/84/61/309118461.db2.gz CIFFBFIWOJXAGO-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)c1ccc([C@@H]([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)cc1 ZINC000415079003 309118689 /nfs/dbraw/zinc/11/86/89/309118689.db2.gz JKFNKSQEOXQSEG-UWJYYQICSA-N 2 0 345.531 3.294 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)ccc1OCC(F)(F)F ZINC000415081962 309119017 /nfs/dbraw/zinc/11/90/17/309119017.db2.gz LAZLAFBLYIUZAB-TZMCWYRMSA-N 2 0 346.393 3.114 20 0 EGADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000415085685 309119324 /nfs/dbraw/zinc/11/93/24/309119324.db2.gz QZHUSNXSFHLOMI-HOCLYGCPSA-N 2 0 330.501 3.258 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415086261 309119327 /nfs/dbraw/zinc/11/93/27/309119327.db2.gz RXQREWHPUKLJPO-OHPVBQACSA-N 2 0 346.515 3.419 20 0 EGADRP COc1cccc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c1OC1CCCC1 ZINC000415093858 309119785 /nfs/dbraw/zinc/11/97/85/309119785.db2.gz WIJVICKOYZZPFE-JKSUJKDBSA-N 2 0 332.488 3.494 20 0 EGADRP CC1(C)Cc2cccc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)c2O1 ZINC000415108238 309120928 /nfs/dbraw/zinc/12/09/28/309120928.db2.gz MAGNFRYKIZPTIC-ICSRJNTNSA-N 2 0 344.499 3.118 20 0 EGADRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC[NH2+]1 ZINC000415115793 309121432 /nfs/dbraw/zinc/12/14/32/309121432.db2.gz USZVWOWEGOYNLF-LSDHHAIUSA-N 2 0 329.419 3.491 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000415118361 309121628 /nfs/dbraw/zinc/12/16/28/309121628.db2.gz DBGGWBLMUVSESK-SJORKVTESA-N 2 0 342.405 3.424 20 0 EGADRP CC1(C)Cc2cccc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)c2O1 ZINC000415123582 309121935 /nfs/dbraw/zinc/12/19/35/309121935.db2.gz LGQFPHQOTMQGSZ-OALUTQOASA-N 2 0 344.499 3.118 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000415918577 309148587 /nfs/dbraw/zinc/14/85/87/309148587.db2.gz LLJNDZHAIUPWFP-INIZCTEOSA-N 2 0 332.492 3.182 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000415923427 309148994 /nfs/dbraw/zinc/14/89/94/309148994.db2.gz UZEPZGWXKHYHGF-IBGZPJMESA-N 2 0 346.519 3.428 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000415965803 309151589 /nfs/dbraw/zinc/15/15/89/309151589.db2.gz YUAAWAZJJSWELU-UHFFFAOYSA-N 2 0 344.503 3.313 20 0 EGADRP CC(C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000415966386 309151756 /nfs/dbraw/zinc/15/17/56/309151756.db2.gz ZIZYQEQQKZBLNX-GOSISDBHSA-N 2 0 332.492 3.023 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415972133 309152026 /nfs/dbraw/zinc/15/20/26/309152026.db2.gz LWQKZQCUZYTHMY-MJGOQNOKSA-N 2 0 346.519 3.428 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000415972926 309152171 /nfs/dbraw/zinc/15/21/71/309152171.db2.gz NKOOCYRBZPDOSB-IRXDYDNUSA-N 2 0 346.519 3.286 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000415975821 309152276 /nfs/dbraw/zinc/15/22/76/309152276.db2.gz UVSWJASQOXCSPC-LJQANCHMSA-N 2 0 340.471 3.139 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982699 309152725 /nfs/dbraw/zinc/15/27/25/309152725.db2.gz XQXCROINRFFZBO-DNVCBOLYSA-N 2 0 338.455 3.102 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000416893364 309185555 /nfs/dbraw/zinc/18/55/55/309185555.db2.gz XDFQYWPBJXQHFZ-IBGZPJMESA-N 2 0 348.535 3.043 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)C(C)(C)C ZINC000417678082 309217476 /nfs/dbraw/zinc/21/74/76/309217476.db2.gz IXCQAJWWEKXWLS-MSOLQXFVSA-N 2 0 348.535 3.132 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n(C)n1 ZINC000417868544 309225884 /nfs/dbraw/zinc/22/58/84/309225884.db2.gz KFXDSBGDBKKGQC-INIZCTEOSA-N 2 0 326.488 3.250 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417908494 309227999 /nfs/dbraw/zinc/22/79/99/309227999.db2.gz BRCVUSJLRZNHBP-VQIMIIECSA-N 2 0 346.519 3.016 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417908487 309228018 /nfs/dbraw/zinc/22/80/18/309228018.db2.gz BRCVUSJLRZNHBP-APWZRJJASA-N 2 0 346.519 3.016 20 0 EGADRP [NH3+]CCC[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000418439561 309246247 /nfs/dbraw/zinc/24/62/47/309246247.db2.gz GDOSHSBSSYFDPR-LJQANCHMSA-N 2 0 346.519 3.078 20 0 EGADRP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000419134977 309260723 /nfs/dbraw/zinc/26/07/23/309260723.db2.gz JZNRIDZXCCFKPZ-GOSISDBHSA-N 2 0 345.531 3.457 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420266691 309278690 /nfs/dbraw/zinc/27/86/90/309278690.db2.gz DSMLAUTVAJXGHN-UHFFFAOYSA-N 2 0 330.863 3.276 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000420295305 309279868 /nfs/dbraw/zinc/27/98/68/309279868.db2.gz CDQLRRWOIWFJBN-LJQANCHMSA-N 2 0 346.515 3.409 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)cc1 ZINC000420294925 309279911 /nfs/dbraw/zinc/27/99/11/309279911.db2.gz BNAIYEIHWVLBID-QZTJIDSGSA-N 2 0 340.467 3.236 20 0 EGADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000420301578 309280513 /nfs/dbraw/zinc/28/05/13/309280513.db2.gz LMLHYXXDQSBTAT-CQSZACIVSA-N 2 0 337.305 3.412 20 0 EGADRP CC[N@H+](CCOc1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420313107 309281154 /nfs/dbraw/zinc/28/11/54/309281154.db2.gz PBIVEVKXHOUNEE-OAHLLOKOSA-N 2 0 341.293 3.292 20 0 EGADRP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420321246 309282193 /nfs/dbraw/zinc/28/21/93/309282193.db2.gz COWOYUJLAYVRPZ-MSOLQXFVSA-N 2 0 325.456 3.472 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000420327344 309282306 /nfs/dbraw/zinc/28/23/06/309282306.db2.gz YOIKMMDXBMERTB-DLBZAZTESA-N 2 0 345.512 3.382 20 0 EGADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420328920 309282542 /nfs/dbraw/zinc/28/25/42/309282542.db2.gz NLSAXYVTTZXJHH-JKSUJKDBSA-N 2 0 329.419 3.302 20 0 EGADRP CC(C)(C)c1cccc(OCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420327665 309282634 /nfs/dbraw/zinc/28/26/34/309282634.db2.gz LQVXGFLJHCBMEN-SFHVURJKSA-N 2 0 346.515 3.050 20 0 EGADRP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331556 309282777 /nfs/dbraw/zinc/28/27/77/309282777.db2.gz CCXAPECNFDPEAZ-RTBURBONSA-N 2 0 343.515 3.071 20 0 EGADRP Cc1cc(OCC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1C(C)C ZINC000420337253 309283086 /nfs/dbraw/zinc/28/30/86/309283086.db2.gz WQERSIIECNAJRT-GOSISDBHSA-N 2 0 346.515 3.185 20 0 EGADRP FC(F)Oc1cccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000420382888 309285573 /nfs/dbraw/zinc/28/55/73/309285573.db2.gz YYTMPQZAQSTNIT-KRWDZBQOSA-N 2 0 340.414 3.051 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000420943675 309303087 /nfs/dbraw/zinc/30/30/87/309303087.db2.gz ILYNJPWWBPKCBC-INIZCTEOSA-N 2 0 335.458 3.067 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3Cl)CC2)CC1 ZINC000420978061 309305251 /nfs/dbraw/zinc/30/52/51/309305251.db2.gz IRPSKPWTTMGIFA-UHFFFAOYSA-N 2 0 335.923 3.332 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000420981254 309305770 /nfs/dbraw/zinc/30/57/70/309305770.db2.gz MWSXXNLPZSFHMT-KRWDZBQOSA-N 2 0 333.495 3.379 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(F)ccc3C)CC2)CC1 ZINC000420979178 309305801 /nfs/dbraw/zinc/30/58/01/309305801.db2.gz JYEBWHQFDCIWRI-UHFFFAOYSA-N 2 0 333.495 3.126 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1Cl ZINC000421834395 309342335 /nfs/dbraw/zinc/34/23/35/309342335.db2.gz CFXBQMYKBUJVOH-PBHICJAKSA-N 2 0 345.874 3.152 20 0 EGADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704575 309363873 /nfs/dbraw/zinc/36/38/73/309363873.db2.gz ABFZFPGCXYYFPR-RBAQFSTRSA-N 2 0 344.499 3.427 20 0 EGADRP [NH3+]CC1CCC([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000422708944 309363956 /nfs/dbraw/zinc/36/39/56/309363956.db2.gz JWGAUSZLVFNEFM-UHFFFAOYSA-N 2 0 329.488 3.422 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422713806 309364495 /nfs/dbraw/zinc/36/44/95/309364495.db2.gz KDTBDZJRNWBPBK-YOEHRIQHSA-N 2 0 327.428 3.010 20 0 EGADRP [NH3+][C@@H]1C[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)c2ccccc21 ZINC000422716062 309364562 /nfs/dbraw/zinc/36/45/62/309364562.db2.gz TYMALINFPNDECT-RTBURBONSA-N 2 0 345.556 3.473 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422715511 309364625 /nfs/dbraw/zinc/36/46/25/309364625.db2.gz SEIZTWSLYPWVGF-QFBILLFUSA-N 2 0 341.430 3.295 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC1CCCC1 ZINC000422717791 309364646 /nfs/dbraw/zinc/36/46/46/309364646.db2.gz WENUFTQFJMXGMF-MAUKXSAKSA-N 2 0 332.488 3.494 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC000422719155 309364810 /nfs/dbraw/zinc/36/48/10/309364810.db2.gz XQISEMJRPPHEHM-SXLOBPIMSA-N 2 0 345.531 3.329 20 0 EGADRP CC[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724014 309365164 /nfs/dbraw/zinc/36/51/64/309365164.db2.gz UAWYVMNSORETCB-OALUTQOASA-N 2 0 337.458 3.049 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000422730863 309365553 /nfs/dbraw/zinc/36/55/53/309365553.db2.gz KPNTWKWTUAQVGA-NYVOZVTQSA-N 2 0 337.511 3.372 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422750431 309366528 /nfs/dbraw/zinc/36/65/28/309366528.db2.gz DEFWIFIRFLDSHP-KURKYZTESA-N 2 0 326.488 3.245 20 0 EGADRP Fc1ccccc1OCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422755723 309366772 /nfs/dbraw/zinc/36/67/72/309366772.db2.gz KYOUHRAMDDEGLH-PXNSSMCTSA-N 2 0 342.414 3.050 20 0 EGADRP C[NH+](C)C1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422766704 309367348 /nfs/dbraw/zinc/36/73/48/309367348.db2.gz XPDAABNKLOXNDR-RXVVDRJESA-N 2 0 343.515 3.096 20 0 EGADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422773515 309367813 /nfs/dbraw/zinc/36/78/13/309367813.db2.gz UGSZSMIWBSNVDV-HZPDHXFCSA-N 2 0 328.456 3.490 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000422781834 309368004 /nfs/dbraw/zinc/36/80/04/309368004.db2.gz LCQDSBQRUVYPPS-BEVDRBHNSA-N 2 0 325.456 3.420 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@H+](C)Cc1ccccc1 ZINC000422783384 309368024 /nfs/dbraw/zinc/36/80/24/309368024.db2.gz KXXBEJOQYGCGPX-GHTZIAJQSA-N 2 0 325.500 3.057 20 0 EGADRP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000422792161 309368438 /nfs/dbraw/zinc/36/84/38/309368438.db2.gz QWIWNTOUCUBHTB-AQNXPRMDSA-N 2 0 342.462 3.064 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422791432 309368447 /nfs/dbraw/zinc/36/84/47/309368447.db2.gz YKMMDBHIXVREFD-SFTDATJTSA-N 3 0 345.531 3.027 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422792609 309368559 /nfs/dbraw/zinc/36/85/59/309368559.db2.gz RBOCHAFZLHOAIA-QINHECLXSA-N 2 0 328.456 3.011 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Oc1ccc(Br)cc1 ZINC000422796507 309368881 /nfs/dbraw/zinc/36/88/81/309368881.db2.gz JTPPJNHSLVTFHA-IOASZLSFSA-N 2 0 341.293 3.194 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000422798273 309369060 /nfs/dbraw/zinc/36/90/60/309369060.db2.gz QLBROEQBPKLXMY-SLFFLAALSA-N 2 0 333.520 3.328 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422811868 309369716 /nfs/dbraw/zinc/36/97/16/309369716.db2.gz PTAWWMZQAZLCDY-YLJYHZDGSA-N 2 0 326.488 3.332 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422812273 309369793 /nfs/dbraw/zinc/36/97/93/309369793.db2.gz WCALMHXBEJGNNV-PCCBWWKXSA-N 3 0 327.516 3.293 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422812279 309369810 /nfs/dbraw/zinc/36/98/10/309369810.db2.gz WCZHHEPLUQTJOU-YUMYIRISSA-N 2 0 341.543 3.334 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCc3ccccc32)CC[NH2+]CC1 ZINC000422813519 309370040 /nfs/dbraw/zinc/37/00/40/309370040.db2.gz ZKHVYZBWKLEEGA-WMZOPIPTSA-N 2 0 344.499 3.018 20 0 EGADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)cn1 ZINC000422826115 309370507 /nfs/dbraw/zinc/37/05/07/309370507.db2.gz KVTQSPMSKBWKBZ-QHAWAJNXSA-N 2 0 338.499 3.332 20 0 EGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422851129 309371963 /nfs/dbraw/zinc/37/19/63/309371963.db2.gz OLJKVUDQMLNPFY-IPMKNSEASA-N 2 0 345.531 3.422 20 0 EGADRP CC[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)Oc1cccc(F)c1 ZINC000422857507 309372380 /nfs/dbraw/zinc/37/23/80/309372380.db2.gz YIXCAPCVHWJJLP-SUMWQHHRSA-N 2 0 331.435 3.496 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422859342 309372434 /nfs/dbraw/zinc/37/24/34/309372434.db2.gz JUXDESFOICQSHZ-LQWHRVPQSA-N 3 0 329.532 3.396 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(F)F ZINC000422861136 309372547 /nfs/dbraw/zinc/37/25/47/309372547.db2.gz MHIJHIKTQOGWCG-BKQLOGFTSA-N 2 0 326.387 3.230 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422862691 309372632 /nfs/dbraw/zinc/37/26/32/309372632.db2.gz KRKHIQOAUVMNDW-SLFFLAALSA-N 2 0 346.515 3.421 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2c(OC)c1 ZINC000422867447 309372686 /nfs/dbraw/zinc/37/26/86/309372686.db2.gz SGJZGJQVEUAZEG-ROUUACIJSA-N 2 0 345.487 3.367 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422870797 309372862 /nfs/dbraw/zinc/37/28/62/309372862.db2.gz CHDBRKLLHKYXBD-BHIYHBOVSA-N 2 0 332.488 3.160 20 0 EGADRP CCOc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422876962 309373363 /nfs/dbraw/zinc/37/33/63/309373363.db2.gz GZJAVQUDORSAFO-TZIWHRDSSA-N 2 0 338.451 3.431 20 0 EGADRP COc1cc(C)ccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422881560 309373812 /nfs/dbraw/zinc/37/38/12/309373812.db2.gz YYCAQZTZZBIEIV-GHTZIAJQSA-N 2 0 338.451 3.349 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000422881491 309373923 /nfs/dbraw/zinc/37/39/23/309373923.db2.gz YRDWNPJNPRGGRL-NZSAHSFTSA-N 2 0 332.488 3.031 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422890292 309374437 /nfs/dbraw/zinc/37/44/37/309374437.db2.gz IBHWDUJHXHEUQP-MJGOQNOKSA-N 2 0 333.520 3.027 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422895015 309374795 /nfs/dbraw/zinc/37/47/95/309374795.db2.gz UXBOZRRPVIRUQE-DQLDELGASA-N 2 0 340.467 3.108 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000422895396 309374838 /nfs/dbraw/zinc/37/48/38/309374838.db2.gz VWDSSMOHXLVQMZ-RDGPPVDQSA-N 3 0 329.532 3.252 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422899308 309375069 /nfs/dbraw/zinc/37/50/69/309375069.db2.gz HDGMUFNVXPNVJM-KBXCAEBGSA-N 2 0 329.419 3.491 20 0 EGADRP c1cc2c(cc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)OCCO2 ZINC000422930407 309376536 /nfs/dbraw/zinc/37/65/36/309376536.db2.gz UFUUSIMJROMRFW-GUDVDZBRSA-N 2 0 344.499 3.291 20 0 EGADRP c1sc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422936366 309376992 /nfs/dbraw/zinc/37/69/92/309376992.db2.gz MEYNPIJJSCGYCB-OKZBNKHCSA-N 2 0 330.497 3.191 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422939011 309377261 /nfs/dbraw/zinc/37/72/61/309377261.db2.gz FKCFHMPEGGQBTJ-CABZTGNLSA-N 2 0 349.219 3.268 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422942841 309377283 /nfs/dbraw/zinc/37/72/83/309377283.db2.gz QGNMRBOCGCNYQG-YYWHXJBOSA-N 2 0 329.532 3.047 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422953018 309377810 /nfs/dbraw/zinc/37/78/10/309377810.db2.gz DSRCKXCVLBCJRF-DZGCQCFKSA-N 2 0 334.851 3.040 20 0 EGADRP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422973777 309379089 /nfs/dbraw/zinc/37/90/89/309379089.db2.gz PLYSRYLWDAWNHB-IPMKNSEASA-N 2 0 329.488 3.271 20 0 EGADRP COc1cccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422996842 309380181 /nfs/dbraw/zinc/38/01/81/309380181.db2.gz ABXFITYYHOBGMU-VAMGGRTRSA-N 2 0 332.488 3.112 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423014647 309381011 /nfs/dbraw/zinc/38/10/11/309381011.db2.gz PKAQKDFULYVZPT-RTBURBONSA-N 2 0 326.440 3.371 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423019799 309381459 /nfs/dbraw/zinc/38/14/59/309381459.db2.gz XFJSCUPJMZTDGR-YXKWSERDSA-N 2 0 347.409 3.308 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423022735 309381499 /nfs/dbraw/zinc/38/14/99/309381499.db2.gz IITVJVOMHMFTHL-ZWVMGRIOSA-N 2 0 344.499 3.426 20 0 EGADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022483 309381566 /nfs/dbraw/zinc/38/15/66/309381566.db2.gz HTBKJNOQPHJDDH-GGBBIFEXSA-N 2 0 339.886 3.202 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000423028265 309381855 /nfs/dbraw/zinc/38/18/55/309381855.db2.gz SMLMLMNYJLICRU-GDAAHCPNSA-N 2 0 346.515 3.393 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000423028264 309381877 /nfs/dbraw/zinc/38/18/77/309381877.db2.gz SMLMLMNYJLICRU-DSLXNQLJSA-N 2 0 346.515 3.393 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000423033572 309382066 /nfs/dbraw/zinc/38/20/66/309382066.db2.gz XDGYSJTYAQDBJZ-PXNSSMCTSA-N 2 0 330.520 3.160 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423033927 309382214 /nfs/dbraw/zinc/38/22/14/309382214.db2.gz ZXXWZCCTVSGHJA-HUUCEWRRSA-N 2 0 343.471 3.223 20 0 EGADRP C[C@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000423046187 309382765 /nfs/dbraw/zinc/38/27/65/309382765.db2.gz FBRBITHZEMCEFE-RRQGHBQHSA-N 2 0 343.437 3.428 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423058860 309383572 /nfs/dbraw/zinc/38/35/72/309383572.db2.gz KKNVXFQSDBQQGE-YESZJQIVSA-N 2 0 342.405 3.261 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000423068259 309384374 /nfs/dbraw/zinc/38/43/74/309384374.db2.gz BIKJAJSIVDSRJW-WJPUGNRLSA-N 2 0 341.499 3.129 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCc3ccc(F)cc32)CC[NH2+]CC1 ZINC000423081426 309385007 /nfs/dbraw/zinc/38/50/07/309385007.db2.gz BRGLJWRQFASVDS-RDTXWAMCSA-N 2 0 348.462 3.114 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093869 309385631 /nfs/dbraw/zinc/38/56/31/309385631.db2.gz IUEHOKMUMVVNAK-XJKSGUPXSA-N 2 0 330.394 3.148 20 0 EGADRP Clc1ccc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423111551 309386543 /nfs/dbraw/zinc/38/65/43/309386543.db2.gz WHCIGOAAYGRVFB-OWCLPIDISA-N 2 0 342.936 3.471 20 0 EGADRP COCC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000423116010 309386633 /nfs/dbraw/zinc/38/66/33/309386633.db2.gz OOZVYPOCYIYYRR-QRFRQXIXSA-N 2 0 332.488 3.283 20 0 EGADRP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423125246 309387283 /nfs/dbraw/zinc/38/72/83/309387283.db2.gz PYXAJSLLPWXLIH-XDQVBPFNSA-N 2 0 326.893 3.136 20 0 EGADRP c1c2ccccc2sc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423133950 309387623 /nfs/dbraw/zinc/38/76/23/309387623.db2.gz LPMDNOUXQSSZEW-FGTMMUONSA-N 2 0 330.497 3.191 20 0 EGADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423139095 309388062 /nfs/dbraw/zinc/38/80/62/309388062.db2.gz KHRKIQLAEFVVQR-CKHPTIKVSA-N 3 0 329.532 3.396 20 0 EGADRP CC[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144364 309388221 /nfs/dbraw/zinc/38/82/21/309388221.db2.gz YRWXSXBGWPIFPE-NJYVYQBISA-N 2 0 329.532 3.409 20 0 EGADRP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179926 309389285 /nfs/dbraw/zinc/38/92/85/309389285.db2.gz MZPWCLVHEBHFPI-LBPRGKRZSA-N 2 0 348.343 3.317 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193567 309389957 /nfs/dbraw/zinc/38/99/57/309389957.db2.gz WYZUOYZXAIXPEW-JBACZVJFSA-N 3 0 327.516 3.019 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccsc1 ZINC000423200281 309390281 /nfs/dbraw/zinc/39/02/81/309390281.db2.gz FHUFPMUDHMAJPJ-GOSISDBHSA-N 2 0 349.931 3.180 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccsc1 ZINC000423200282 309390381 /nfs/dbraw/zinc/39/03/81/309390381.db2.gz FHUFPMUDHMAJPJ-SFHVURJKSA-N 2 0 349.931 3.180 20 0 EGADRP Brc1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423216334 309390922 /nfs/dbraw/zinc/39/09/22/309390922.db2.gz RRFKQGLDCYBNQB-SUMWQHHRSA-N 2 0 337.305 3.359 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423220075 309391016 /nfs/dbraw/zinc/39/10/16/309391016.db2.gz XWKIUJLIKQIYKM-CGXNFDGLSA-N 3 0 327.516 3.019 20 0 EGADRP COc1ccc(C[C@@H]([NH2+]CC[C@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000423224578 309391160 /nfs/dbraw/zinc/39/11/60/309391160.db2.gz JJTWNHFCLVXHSK-MGPUTAFESA-N 2 0 328.456 3.315 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423269923 309393408 /nfs/dbraw/zinc/39/34/08/309393408.db2.gz HJDGDYCMDVJUFT-KKSFZXQISA-N 2 0 342.483 3.433 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423283072 309393978 /nfs/dbraw/zinc/39/39/78/309393978.db2.gz XAIBZFJOFHYRGX-HUUCEWRRSA-N 2 0 334.460 3.121 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292799 309394280 /nfs/dbraw/zinc/39/42/80/309394280.db2.gz OLVGUTMRWXQCBJ-JKSUJKDBSA-N 2 0 339.483 3.236 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000423310139 309394804 /nfs/dbraw/zinc/39/48/04/309394804.db2.gz MVEXEFFNTYTJRQ-MRXNPFEDSA-N 2 0 337.467 3.232 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423325487 309395314 /nfs/dbraw/zinc/39/53/14/309395314.db2.gz IUPPMJOKGCVNNB-INIZCTEOSA-N 2 0 339.483 3.477 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423337178 309395934 /nfs/dbraw/zinc/39/59/34/309395934.db2.gz TXROGOIIYBWUBQ-GFCCVEGCSA-N 2 0 343.284 3.499 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000423345164 309396327 /nfs/dbraw/zinc/39/63/27/309396327.db2.gz XMMKHMOBGAMRJW-JTDSTZFVSA-N 2 0 331.504 3.476 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000423353857 309396596 /nfs/dbraw/zinc/39/65/96/309396596.db2.gz DYNYJRMWTDOVLK-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc(OC)c1OC ZINC000423355613 309396721 /nfs/dbraw/zinc/39/67/21/309396721.db2.gz IKTSGHYWBRNOCJ-CYBMUJFWSA-N 2 0 342.439 3.166 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000423354654 309396811 /nfs/dbraw/zinc/39/68/11/309396811.db2.gz NTFLTTCZVNULIY-KRWDZBQOSA-N 2 0 343.515 3.435 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000423354655 309396834 /nfs/dbraw/zinc/39/68/34/309396834.db2.gz NTFLTTCZVNULIY-QGZVFWFLSA-N 2 0 343.515 3.435 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423375056 309397852 /nfs/dbraw/zinc/39/78/52/309397852.db2.gz IQDGIUOKYQPCGN-KXBFYZLASA-N 2 0 330.472 3.282 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423387606 309398088 /nfs/dbraw/zinc/39/80/88/309398088.db2.gz SOXZBLJLSBZNRM-GHRYLNIYSA-N 2 0 327.516 3.017 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423388207 309398214 /nfs/dbraw/zinc/39/82/14/309398214.db2.gz IHRLGRQNPMFGRB-KMKNWIINSA-N 3 0 341.543 3.265 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CCN1Cc1ccccc1 ZINC000423388192 309398224 /nfs/dbraw/zinc/39/82/24/309398224.db2.gz NFQFUGSBPSSKIV-VGOFRKELSA-N 2 0 335.495 3.433 20 0 EGADRP COCC1(C[NH2+][C@H](CSc2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000423413767 309399261 /nfs/dbraw/zinc/39/92/61/309399261.db2.gz ZYDQCNYUZNYGGL-GOSISDBHSA-N 2 0 336.545 3.409 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423440833 309400524 /nfs/dbraw/zinc/40/05/24/309400524.db2.gz XNYDZKIPIIWTFZ-MRXNPFEDSA-N 2 0 331.504 3.194 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423467934 309401270 /nfs/dbraw/zinc/40/12/70/309401270.db2.gz UQEVTYZZCHNSOA-JGGQBBKZSA-N 2 0 347.894 3.397 20 0 EGADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OCc2nccn2C)cc1 ZINC000423475446 309401708 /nfs/dbraw/zinc/40/17/08/309401708.db2.gz HXYQCRRZLSZPDS-WMZOPIPTSA-N 2 0 342.487 3.182 20 0 EGADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423486403 309402274 /nfs/dbraw/zinc/40/22/74/309402274.db2.gz SPLNOSDDLJGRIZ-HOCLYGCPSA-N 2 0 330.476 3.153 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000423494466 309402975 /nfs/dbraw/zinc/40/29/75/309402975.db2.gz SDCIVMCDQDLTNQ-OSQNNJELSA-N 2 0 327.241 3.293 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000423506055 309403525 /nfs/dbraw/zinc/40/35/25/309403525.db2.gz LXFSOKAZFMGGKO-VMGRFDJRSA-N 2 0 337.305 3.487 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1OCc1ccccc1 ZINC000423543635 309405740 /nfs/dbraw/zinc/40/57/40/309405740.db2.gz NOMSVANZMYSASK-IVDHNXQLSA-N 2 0 328.500 3.348 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423541669 309405746 /nfs/dbraw/zinc/40/57/46/309405746.db2.gz LHFWCGRVMHEGSU-FSZRXZPDSA-N 2 0 329.444 3.208 20 0 EGADRP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423558249 309406229 /nfs/dbraw/zinc/40/62/29/309406229.db2.gz RZIBDTAXLJYDER-KQXIARHKSA-N 2 0 341.318 3.476 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000423634974 309408559 /nfs/dbraw/zinc/40/85/59/309408559.db2.gz DILOZMZZMBKXIJ-HNNXBMFYSA-N 2 0 343.446 3.049 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000423770930 309411993 /nfs/dbraw/zinc/41/19/93/309411993.db2.gz IKVQUKIQKLFOBG-FZKQIMNGSA-N 2 0 345.874 3.392 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000423773844 309412090 /nfs/dbraw/zinc/41/20/90/309412090.db2.gz NAOMYOJYHHLCJK-SXLOBPIMSA-N 2 0 341.499 3.184 20 0 EGADRP CC(C)C[C@@H](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017705 309425510 /nfs/dbraw/zinc/42/55/10/309425510.db2.gz GYDUSIPGHDGOPW-GOSISDBHSA-N 2 0 345.531 3.168 20 0 EGADRP CC[C@@H](CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000424018452 309425650 /nfs/dbraw/zinc/42/56/50/309425650.db2.gz ISKATOUVKHSAPN-IBGZPJMESA-N 2 0 345.531 3.168 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC(C[NH+]2CCCC2)CC1)CC1CCCCC1 ZINC000424132585 309430151 /nfs/dbraw/zinc/43/01/51/309430151.db2.gz KYNJTIMLKBZDDX-HXUWFJFHSA-N 2 0 349.563 3.399 20 0 EGADRP [NH3+]C[C@@H](CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000424275948 309435704 /nfs/dbraw/zinc/43/57/04/309435704.db2.gz BJPJGUISQFHBPI-QFBILLFUSA-N 2 0 347.865 3.168 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](OC)C2CC2)CC1 ZINC000425465108 309481641 /nfs/dbraw/zinc/48/16/41/309481641.db2.gz ZDGVTRBPEAANOA-QRWLVFNGSA-N 2 0 349.494 3.043 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425917617 309494559 /nfs/dbraw/zinc/49/45/59/309494559.db2.gz MSAMJXWTURDXEN-KRWDZBQOSA-N 2 0 329.488 3.419 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1O ZINC000426417524 309506861 /nfs/dbraw/zinc/50/68/61/309506861.db2.gz BAZQJSLYGDOGNE-SJORKVTESA-N 2 0 334.504 3.434 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427271431 309526167 /nfs/dbraw/zinc/52/61/67/309526167.db2.gz FDJIRIRYLYLIQM-ZWKOTPCHSA-N 2 0 343.515 3.108 20 0 EGADRP O=C(C[C@H]1CCC[NH2+]CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000427334849 309527100 /nfs/dbraw/zinc/52/71/00/309527100.db2.gz BYMCXBQEXQNTIN-SFHVURJKSA-N 2 0 335.536 3.071 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000428394348 309549964 /nfs/dbraw/zinc/54/99/64/309549964.db2.gz UKHDBQPTEHLHAL-IRXDYDNUSA-N 2 0 329.488 3.402 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000429494697 309583082 /nfs/dbraw/zinc/58/30/82/309583082.db2.gz RSKNONCXIKUHKG-UZLBHIALSA-N 2 0 339.483 3.406 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000430561989 309610818 /nfs/dbraw/zinc/61/08/18/309610818.db2.gz BUJZIHCZAAUJAY-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000430772502 309617513 /nfs/dbraw/zinc/61/75/13/309617513.db2.gz BZHXHOQJGIOPOL-VJANTYMQSA-N 2 0 337.552 3.029 20 0 EGADRP CN(c1ccccc1)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000430929655 309621311 /nfs/dbraw/zinc/62/13/11/309621311.db2.gz XZEYKDZPBBPQDT-UHFFFAOYSA-N 2 0 336.483 3.425 20 0 EGADRP CC(C)Cc1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433125961 309679578 /nfs/dbraw/zinc/67/95/78/309679578.db2.gz MNYUJBQNPVZHPS-KRWDZBQOSA-N 2 0 345.531 3.266 20 0 EGADRP CC(C)CCOc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433143678 309679968 /nfs/dbraw/zinc/67/99/68/309679968.db2.gz ZYHRIZWLEQZFJV-UHFFFAOYSA-N 2 0 347.503 3.253 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000447595019 309983678 /nfs/dbraw/zinc/98/36/78/309983678.db2.gz KKAXULNXSUWWOO-LJQANCHMSA-N 2 0 347.890 3.187 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000449125050 310038822 /nfs/dbraw/zinc/03/88/22/310038822.db2.gz RMKHXIOFSLXSJU-SJLPKXTDSA-N 2 0 330.472 3.046 20 0 EGADRP Cc1ccccc1-c1ccccc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000449137939 310039596 /nfs/dbraw/zinc/03/95/96/310039596.db2.gz ZLOMDSBQVGYOEB-IBGZPJMESA-N 2 0 337.511 3.388 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000449144824 310040123 /nfs/dbraw/zinc/04/01/23/310040123.db2.gz USBHXISNIIOSML-GOSISDBHSA-N 2 0 330.516 3.488 20 0 EGADRP CSCC[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449193050 310043579 /nfs/dbraw/zinc/04/35/79/310043579.db2.gz QBGDZSCTZOQIMZ-INIZCTEOSA-N 2 0 330.582 3.369 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc3ccoc32)CCN1C1CC[NH+](C)CC1 ZINC000449325868 310053585 /nfs/dbraw/zinc/05/35/85/310053585.db2.gz QBXUTSLMPSAZNM-INIZCTEOSA-N 2 0 327.472 3.033 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000449328845 310053976 /nfs/dbraw/zinc/05/39/76/310053976.db2.gz GPGJYHYYKJWUIH-DUXKGJEZSA-N 2 0 330.516 3.365 20 0 EGADRP COc1ccc(-n2cc(C[NH2+]CCCCC[NH+]3CCCC3)cn2)cc1 ZINC000449343546 310055221 /nfs/dbraw/zinc/05/52/21/310055221.db2.gz LIPSBXFTVCIDFF-UHFFFAOYSA-N 2 0 342.487 3.237 20 0 EGADRP C[C@H](NCC[N@@H+]1CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780525 310086743 /nfs/dbraw/zinc/08/67/43/310086743.db2.gz GFSKAAQRFXXVGL-AZUAARDMSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000450604628 310132698 /nfs/dbraw/zinc/13/26/98/310132698.db2.gz XBSQPYWZTPGWIL-GKBFQHABSA-N 2 0 328.500 3.100 20 0 EGADRP CC(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000450704797 310138334 /nfs/dbraw/zinc/13/83/34/310138334.db2.gz HAZDTHWPTYKLIR-UHFFFAOYSA-N 2 0 344.499 3.214 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCc3ccccc3CC2)C[C@H](C)O1 ZINC000453080867 310256611 /nfs/dbraw/zinc/25/66/11/310256611.db2.gz KREOJWMFFLUNOD-HDICACEKSA-N 2 0 330.516 3.413 20 0 EGADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000453105291 310258240 /nfs/dbraw/zinc/25/82/40/310258240.db2.gz WMQNXJKWWYXAHJ-HXUWFJFHSA-N 2 0 327.472 3.305 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000453166957 310261951 /nfs/dbraw/zinc/26/19/51/310261951.db2.gz HXPLQRGMEIFCPZ-HBFSDRIKSA-N 2 0 338.499 3.298 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453173282 310262365 /nfs/dbraw/zinc/26/23/65/310262365.db2.gz OEAAPYFYJGSRCL-PFAUGDHASA-N 2 0 328.500 3.323 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453200039 310263802 /nfs/dbraw/zinc/26/38/02/310263802.db2.gz ULXNDOOXKQSYCL-LEWJYISDSA-N 2 0 328.500 3.312 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)c2ccccc2)[C@@H](C)C1 ZINC000453313992 310270592 /nfs/dbraw/zinc/27/05/92/310270592.db2.gz FEKCDICHQBSECW-SESVDKBCSA-N 2 0 348.531 3.275 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+]4CCC[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000453384677 310274152 /nfs/dbraw/zinc/27/41/52/310274152.db2.gz TWMMNHQECCHNED-MYGLTJDJSA-N 2 0 340.511 3.400 20 0 EGADRP Cc1nn2c(C[NH2+]CCCC[N@H+](C)C3CC3)c(C(C)C)nc2s1 ZINC000453591455 310283258 /nfs/dbraw/zinc/28/32/58/310283258.db2.gz CCYDENQAPFPFJR-UHFFFAOYSA-N 2 0 335.521 3.187 20 0 EGADRP CC(C)[NH2+]C1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455895836 310381514 /nfs/dbraw/zinc/38/15/14/310381514.db2.gz DCIIBRHCQJRIIH-LJQANCHMSA-N 2 0 344.503 3.230 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455915665 310382161 /nfs/dbraw/zinc/38/21/61/310382161.db2.gz KNQRSPPYIVTENS-HNAYVOBHSA-N 2 0 344.503 3.041 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456338896 310399234 /nfs/dbraw/zinc/39/92/34/310399234.db2.gz OLZWIHPGWTZXAP-QZTJIDSGSA-N 2 0 345.531 3.134 20 0 EGADRP c1cnn([C@H]2CCCC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459441606 310553068 /nfs/dbraw/zinc/55/30/68/310553068.db2.gz OQVSMARQJBCOCF-OALUTQOASA-N 2 0 325.460 3.020 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCCCC1 ZINC000474805265 310799812 /nfs/dbraw/zinc/79/98/12/310799812.db2.gz BPGPFSLDWHZALV-MRXNPFEDSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCCCC1 ZINC000482255950 310929485 /nfs/dbraw/zinc/92/94/85/310929485.db2.gz GCOCOCLPVHJJLV-FQEVSTJZSA-N 2 0 345.531 3.427 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000488406749 311064252 /nfs/dbraw/zinc/06/42/52/311064252.db2.gz NJFCRHJCFQBMOC-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCCNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491060572 311162749 /nfs/dbraw/zinc/16/27/49/311162749.db2.gz LCLDBMIWIQKXIO-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP C[NH+](C)C/C=C\C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000491906403 311197249 /nfs/dbraw/zinc/19/72/49/311197249.db2.gz PMHGCJRAAJSRGB-ZROIWOOFSA-N 2 0 343.515 3.185 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CN1C1CC1 ZINC000492751679 311287145 /nfs/dbraw/zinc/28/71/45/311287145.db2.gz YUAMLAJNGWROJG-DOTOQJQBSA-N 2 0 349.519 3.159 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](C/C=C/c3ccncc3)CC2)C[C@@H](C)O1 ZINC000494985428 311530059 /nfs/dbraw/zinc/53/00/59/311530059.db2.gz JXZQKRLJQKGFIA-DUFJLWIISA-N 2 0 343.515 3.306 20 0 EGADRP CCC[NH+]1CCC(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495430327 311563210 /nfs/dbraw/zinc/56/32/10/311563210.db2.gz UGHONFPMABKIDT-UHFFFAOYSA-N 2 0 327.513 3.001 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496363387 311702531 /nfs/dbraw/zinc/70/25/31/311702531.db2.gz OJPIZSDTPXTLNC-LNLFQRSKSA-N 2 0 345.487 3.147 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496714456 311753998 /nfs/dbraw/zinc/75/39/98/311753998.db2.gz AKXNGJJPLGQZBW-BZUAXINKSA-N 2 0 327.513 3.272 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000503946614 311997375 /nfs/dbraw/zinc/99/73/75/311997375.db2.gz QZJLHBPOFLOFDM-KRWDZBQOSA-N 2 0 342.572 3.113 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000504424795 312006301 /nfs/dbraw/zinc/00/63/01/312006301.db2.gz SWOWQGKDAHLYEE-RXVVDRJESA-N 2 0 343.559 3.142 20 0 EGADRP CCc1cccnc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000507515108 312075900 /nfs/dbraw/zinc/07/59/00/312075900.db2.gz UOSJGPWDECABEV-QGZVFWFLSA-N 2 0 341.499 3.478 20 0 EGADRP Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1F ZINC000507723129 312081435 /nfs/dbraw/zinc/08/14/35/312081435.db2.gz LEINNSTXLRVMDU-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000510218921 312135863 /nfs/dbraw/zinc/13/58/63/312135863.db2.gz WJFUCPFQQFKFSR-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000510963355 312151696 /nfs/dbraw/zinc/15/16/96/312151696.db2.gz ADQFDJKFRGYJGZ-CIAFKFPVSA-N 2 0 342.527 3.428 20 0 EGADRP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000511615401 312164308 /nfs/dbraw/zinc/16/43/08/312164308.db2.gz GVOFPKQFOOBVMT-UHFFFAOYSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1ccc(-c2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000514727275 312241908 /nfs/dbraw/zinc/24/19/08/312241908.db2.gz RLIVZYXVFSAEFP-GOSISDBHSA-N 2 0 325.456 3.472 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000515089815 312265029 /nfs/dbraw/zinc/26/50/29/312265029.db2.gz NSYWAVOCKLJIKJ-RBUKOAKNSA-N 2 0 329.532 3.112 20 0 EGADRP COc1cccc([C@H]2C[N@H+](CCCc3cncn3C)CC2(C)C)c1 ZINC000528616985 313129935 /nfs/dbraw/zinc/12/99/35/313129935.db2.gz DGHSYAMHRDFJFF-LJQANCHMSA-N 2 0 327.472 3.487 20 0 EGADRP FC(F)(F)c1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530237533 313503485 /nfs/dbraw/zinc/50/34/85/313503485.db2.gz FANWTRHXLWVUHN-QGZVFWFLSA-N 2 0 342.405 3.296 20 0 EGADRP FC(F)(F)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530240362 313504123 /nfs/dbraw/zinc/50/41/23/313504123.db2.gz LCVBWEJFMIYONV-KRWDZBQOSA-N 2 0 342.405 3.296 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CCN(c2nc3ccccc3s2)CC1 ZINC000535405884 314044467 /nfs/dbraw/zinc/04/44/67/314044467.db2.gz PEYZVRWJZOHHIY-MRXNPFEDSA-N 2 0 344.528 3.293 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000537095597 314160995 /nfs/dbraw/zinc/16/09/95/314160995.db2.gz GUNKOHYENQCAKY-AOIWGVFYSA-N 2 0 326.488 3.371 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992145 314222318 /nfs/dbraw/zinc/22/23/18/314222318.db2.gz YMACMKVTYNPWMF-NYVOZVTQSA-N 2 0 343.559 3.389 20 0 EGADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000538197823 314231871 /nfs/dbraw/zinc/23/18/71/314231871.db2.gz RFLSOVZOPUQKOC-PZJWPPBQSA-N 2 0 346.515 3.108 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000538696851 314265976 /nfs/dbraw/zinc/26/59/76/314265976.db2.gz XDUNRVOEOHGQCR-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000539294367 314304583 /nfs/dbraw/zinc/30/45/83/314304583.db2.gz CCQRMGWWBAUBDL-MGPUTAFESA-N 2 0 332.488 3.235 20 0 EGADRP COCC1(C)CC[NH+](CCCC[NH+]2CCC(C)(COC)CC2)CC1 ZINC000540196714 314369367 /nfs/dbraw/zinc/36/93/67/314369367.db2.gz FLJHRZZYESLPTG-UHFFFAOYSA-N 2 0 340.552 3.264 20 0 EGADRP CN1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]2C2CC2)c2cccs2)CC1 ZINC000540260911 314372593 /nfs/dbraw/zinc/37/25/93/314372593.db2.gz NYTYVTDOPQZZSA-RCCFBDPRSA-N 2 0 333.545 3.205 20 0 EGADRP C(C1CC1)[C@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](CC4CC4)C3)COC2)C1 ZINC000550048560 315114275 /nfs/dbraw/zinc/11/42/75/315114275.db2.gz GFZNWIMJPQYKHS-WOJBJXKFSA-N 2 0 332.532 3.247 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000551750191 315166495 /nfs/dbraw/zinc/16/64/95/315166495.db2.gz WMOHPDHRYVOHJT-SFHVURJKSA-N 2 0 345.531 3.258 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000551836477 315171804 /nfs/dbraw/zinc/17/18/04/315171804.db2.gz AQNNJPFHEMEKKX-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000552040162 315191905 /nfs/dbraw/zinc/19/19/05/315191905.db2.gz FYSSLJULGBYFGW-HNNXBMFYSA-N 2 0 334.504 3.407 20 0 EGADRP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552065124 315194899 /nfs/dbraw/zinc/19/48/99/315194899.db2.gz FYSSUZQQWZUPFU-XUVXKRRUSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)C[C@H](C)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000552560054 315225381 /nfs/dbraw/zinc/22/53/81/315225381.db2.gz DUZLBDXWXRPIOQ-VQTJNVASSA-N 2 0 344.547 3.350 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555231333 315374691 /nfs/dbraw/zinc/37/46/91/315374691.db2.gz YTZWQFVIBYVCNN-CZUORRHYSA-N 2 0 339.911 3.226 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000555584477 315392303 /nfs/dbraw/zinc/39/23/03/315392303.db2.gz QXTUAHGWFBQPFW-AEFFLSMTSA-N 2 0 336.520 3.353 20 0 EGADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000556952034 315486021 /nfs/dbraw/zinc/48/60/21/315486021.db2.gz QTKGUHPJHNXLOZ-DSLXNQLJSA-N 2 0 334.508 3.024 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000562178357 315803340 /nfs/dbraw/zinc/80/33/40/315803340.db2.gz UJZXHVAEZWVSJU-UHFFFAOYSA-N 2 0 340.556 3.013 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000562748434 315894055 /nfs/dbraw/zinc/89/40/55/315894055.db2.gz WGOLERCXVBEBMM-SMDDNHRTSA-N 2 0 349.276 3.056 20 0 EGADRP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000564196202 316122624 /nfs/dbraw/zinc/12/26/24/316122624.db2.gz NHFNOGUWGJHJOD-PKOBYXMFSA-N 2 0 348.535 3.096 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C(C)(C)C ZINC000564854741 316218904 /nfs/dbraw/zinc/21/89/04/316218904.db2.gz SXNOPUJZARBUSI-MRXNPFEDSA-N 2 0 341.446 3.249 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1C ZINC000565241172 316296844 /nfs/dbraw/zinc/29/68/44/316296844.db2.gz AFWMYNUVNXVHSK-IAGOWNOFSA-N 2 0 340.515 3.496 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH2+]CC1 ZINC000566088019 316414317 /nfs/dbraw/zinc/41/43/17/316414317.db2.gz MCSLRFVPMSDKSH-LBPRGKRZSA-N 2 0 343.393 3.012 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000568188728 316738008 /nfs/dbraw/zinc/73/80/08/316738008.db2.gz PRIDFLFLTNJZDU-UHFFFAOYSA-N 2 0 345.531 3.177 20 0 EGADRP CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000571711183 317235997 /nfs/dbraw/zinc/23/59/97/317235997.db2.gz ZPZDYSAUQAPTEW-RXVVDRJESA-N 2 0 346.515 3.454 20 0 EGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000572148942 317298732 /nfs/dbraw/zinc/29/87/32/317298732.db2.gz KWMGIZXFRXQLOO-PXNSSMCTSA-N 2 0 348.531 3.145 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000572733387 317384247 /nfs/dbraw/zinc/38/42/47/317384247.db2.gz YWXWOGGTWGJKLD-RBUKOAKNSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000574399408 317593997 /nfs/dbraw/zinc/59/39/97/317593997.db2.gz DGZYMODSYRYEKK-RDJZCZTQSA-N 2 0 340.471 3.428 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1)CC1CCCCC1 ZINC000574564450 317611649 /nfs/dbraw/zinc/61/16/49/317611649.db2.gz KVAGWQFDIYDDJF-PMACEKPBSA-N 2 0 343.515 3.237 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000575039322 317665439 /nfs/dbraw/zinc/66/54/39/317665439.db2.gz FWZKLBYIGABAOD-LJQANCHMSA-N 2 0 338.923 3.345 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000177870038 323346866 /nfs/dbraw/zinc/34/68/66/323346866.db2.gz RGFXADUSJZYPMT-UTKZUKDTSA-N 2 0 340.515 3.433 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000177902024 323347746 /nfs/dbraw/zinc/34/77/46/323347746.db2.gz ZRCAKAMNYGLFRE-CJNGLKHVSA-N 2 0 330.394 3.404 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379664180 324240330 /nfs/dbraw/zinc/24/03/30/324240330.db2.gz OFNZUNZJVTWJOS-HSALFYBXSA-N 2 0 343.515 3.065 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000382325933 324249926 /nfs/dbraw/zinc/24/99/26/324249926.db2.gz LVXXBZFXYXADKZ-IAGOWNOFSA-N 2 0 339.524 3.001 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000382623990 324252623 /nfs/dbraw/zinc/25/26/23/324252623.db2.gz MPYAGMAKZHVCMV-BRWVUGGUSA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000382623993 324252654 /nfs/dbraw/zinc/25/26/54/324252654.db2.gz MPYAGMAKZHVCMV-ZACQAIPSSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382720140 324252725 /nfs/dbraw/zinc/25/27/25/324252725.db2.gz LICUSGFVNVATTD-RLLQIKCJSA-N 2 0 343.515 3.017 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000383659754 324257569 /nfs/dbraw/zinc/25/75/69/324257569.db2.gz LGMHENGYQJHXOF-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386401420 324267935 /nfs/dbraw/zinc/26/79/35/324267935.db2.gz HBPIKUBYRFZDHE-JKSUJKDBSA-N 2 0 327.513 3.096 20 0 EGADRP Fc1cc(Br)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000389462570 324279171 /nfs/dbraw/zinc/27/91/71/324279171.db2.gz YSIUUMOQYUSMQM-BETUJISGSA-N 2 0 327.241 3.020 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004343 324292673 /nfs/dbraw/zinc/29/26/73/324292673.db2.gz KSUKHUOURLFNGU-GIVPXCGWSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004360 324292757 /nfs/dbraw/zinc/29/27/57/324292757.db2.gz KSUKHUOURLFNGU-NRSPTQNISA-N 3 0 329.532 3.219 20 0 EGADRP C[NH+](C)C1(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000577774112 324864458 /nfs/dbraw/zinc/86/44/58/324864458.db2.gz LBAQZSBSESGPSA-UHFFFAOYSA-N 2 0 347.522 3.297 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)c2nccn21 ZINC000578850834 325027436 /nfs/dbraw/zinc/02/74/36/325027436.db2.gz MEOVWSCZNXGUQE-JEBQAFNWSA-N 2 0 349.438 3.041 20 0 EGADRP COc1nc2ccccc2cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000579711346 325148816 /nfs/dbraw/zinc/14/88/16/325148816.db2.gz AANPZHWMTYMRIA-SFHVURJKSA-N 2 0 325.456 3.207 20 0 EGADRP Cc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)n1C ZINC000579733668 325152939 /nfs/dbraw/zinc/15/29/39/325152939.db2.gz FYJJDDLBPOGFAK-UHFFFAOYSA-N 2 0 346.906 3.384 20 0 EGADRP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580483497 325256423 /nfs/dbraw/zinc/25/64/23/325256423.db2.gz HVUQEHUKMVHVNS-IBGZPJMESA-N 2 0 338.499 3.344 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)CC3 ZINC000580545614 325265150 /nfs/dbraw/zinc/26/51/50/325265150.db2.gz KRXHIEFXKFZNEJ-HZPDHXFCSA-N 2 0 341.499 3.354 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(Br)c1OC ZINC000581548895 325370610 /nfs/dbraw/zinc/37/06/10/325370610.db2.gz ZPVBHQXLZYBEPB-QWRGUYRKSA-N 2 0 345.281 3.072 20 0 EGADRP CC[C@@]1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCC[NH2+]1 ZINC000581827338 325391980 /nfs/dbraw/zinc/39/19/80/325391980.db2.gz NAFLGTNFVGEVBQ-XLIONFOSSA-N 2 0 335.536 3.022 20 0 EGADRP CN(C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879864 325395578 /nfs/dbraw/zinc/39/55/78/325395578.db2.gz CRLMEZSQIPFYEH-HHXXYDBFSA-N 2 0 336.907 3.411 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000180756283 455239647 /nfs/dbraw/zinc/23/96/47/455239647.db2.gz WMJHOXLYBQMLMP-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531937651 459002975 /nfs/dbraw/zinc/00/29/75/459002975.db2.gz IDOKARKAJUKQJW-FHERZECASA-N 2 0 336.442 3.324 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180792619 455246493 /nfs/dbraw/zinc/24/64/93/455246493.db2.gz FJJQSXFKYNDCLI-UHFFFAOYSA-N 2 0 343.471 3.189 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC[N@@H+]1C ZINC000180848452 455255415 /nfs/dbraw/zinc/25/54/15/455255415.db2.gz HXARJNOFLKFRSR-ZBFHGGJFSA-N 2 0 330.501 3.210 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)c2)CC1 ZINC000180995989 455273384 /nfs/dbraw/zinc/27/33/84/455273384.db2.gz JHZAPBMKXGHCMB-NRFANRHFSA-N 2 0 343.515 3.067 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000158145452 455273532 /nfs/dbraw/zinc/27/35/32/455273532.db2.gz WYIUMJMBSNYZSX-MRXNPFEDSA-N 2 0 335.923 3.236 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@H](C)C1 ZINC000159281084 455366918 /nfs/dbraw/zinc/36/69/18/455366918.db2.gz QXUSBGBOZMGWKV-CRAIPNDOSA-N 2 0 341.455 3.352 20 0 EGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174370778 455383211 /nfs/dbraw/zinc/38/32/11/455383211.db2.gz ZOZAOKGJVROLME-UXPWSPDFSA-N 2 0 343.515 3.052 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000081362160 453864743 /nfs/dbraw/zinc/86/47/43/453864743.db2.gz PIFXPAAHUVEKDA-LJQANCHMSA-N 2 0 345.531 3.332 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000053659152 453891896 /nfs/dbraw/zinc/89/18/96/453891896.db2.gz IYHCLNKPPAPXOT-UHFFFAOYSA-N 2 0 341.293 3.149 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081634418 453898763 /nfs/dbraw/zinc/89/87/63/453898763.db2.gz OFZYTLFSYOGWEK-MRXNPFEDSA-N 2 0 349.906 3.332 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000054408456 453928713 /nfs/dbraw/zinc/92/87/13/453928713.db2.gz KCYAQECQVRCSDA-MRXNPFEDSA-N 2 0 346.519 3.380 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)o1 ZINC000041795860 453978787 /nfs/dbraw/zinc/97/87/87/453978787.db2.gz ZJTONUDBIYAUJV-OAHLLOKOSA-N 2 0 349.500 3.216 20 0 EGADRP c1csc(CCC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000076892931 454046407 /nfs/dbraw/zinc/04/64/07/454046407.db2.gz BYXHKNMXALYWJD-UHFFFAOYSA-N 2 0 345.512 3.340 20 0 EGADRP CCOC(=O)N1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000089144642 454125188 /nfs/dbraw/zinc/12/51/88/454125188.db2.gz KTELDVZKIANGDF-UHFFFAOYSA-N 2 0 347.503 3.237 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccccn2)cc1OC ZINC000069750031 454140466 /nfs/dbraw/zinc/14/04/66/454140466.db2.gz DOWMECCPGIHADL-UHFFFAOYSA-N 2 0 343.471 3.101 20 0 EGADRP Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000089603570 454167087 /nfs/dbraw/zinc/16/70/87/454167087.db2.gz ZAIDGZHBBXAWGT-MRXNPFEDSA-N 2 0 329.419 3.348 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000119613003 454207876 /nfs/dbraw/zinc/20/78/76/454207876.db2.gz NTJVMJSMGRCVOZ-UHFFFAOYSA-N 2 0 327.472 3.064 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000090586059 454323992 /nfs/dbraw/zinc/32/39/92/454323992.db2.gz RZWVKTAPOMZFEF-IRXDYDNUSA-N 2 0 332.488 3.476 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000078833276 454326922 /nfs/dbraw/zinc/32/69/22/454326922.db2.gz KUKJRVBXYNUSKD-UHFFFAOYSA-N 2 0 329.532 3.316 20 0 EGADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090723342 454338027 /nfs/dbraw/zinc/33/80/27/454338027.db2.gz BVDOPUNJQVKXOZ-VQTJNVASSA-N 2 0 344.499 3.099 20 0 EGADRP CC[NH+](CC)CCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072794867 454341287 /nfs/dbraw/zinc/34/12/87/454341287.db2.gz BJYIVGRKWGZTTL-UHFFFAOYSA-N 2 0 326.444 3.287 20 0 EGADRP CN(C)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000132931357 454378827 /nfs/dbraw/zinc/37/88/27/454378827.db2.gz YWLZCSWXJOQHHO-JOCHJYFZSA-N 2 0 337.511 3.418 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000121177832 454401944 /nfs/dbraw/zinc/40/19/44/454401944.db2.gz CXAHFFQYXHGDSC-MSOLQXFVSA-N 2 0 329.532 3.100 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000121183264 454402572 /nfs/dbraw/zinc/40/25/72/454402572.db2.gz UEUSXYKLVHJAMD-BEFAXECRSA-N 2 0 339.474 3.279 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000121357029 454425390 /nfs/dbraw/zinc/42/53/90/454425390.db2.gz VTGTVYHKWMRSPQ-KXBFYZLASA-N 2 0 335.923 3.191 20 0 EGADRP CCc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091320456 454426109 /nfs/dbraw/zinc/42/61/09/454426109.db2.gz MQFVMJOKOIYWOC-RXVVDRJESA-N 2 0 331.548 3.419 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)CC1 ZINC000133621871 454448074 /nfs/dbraw/zinc/44/80/74/454448074.db2.gz HODCWNYXVGVNSJ-FQEVSTJZSA-N 2 0 343.515 3.041 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000121646074 454461692 /nfs/dbraw/zinc/46/16/92/454461692.db2.gz MYYRUACHGMNEAQ-RXVVDRJESA-N 3 0 329.532 3.492 20 0 EGADRP COC(=O)c1oc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1C ZINC000048564800 454499096 /nfs/dbraw/zinc/49/90/96/454499096.db2.gz OEDWAPOMKYTAQV-UHFFFAOYSA-N 2 0 348.487 3.463 20 0 EGADRP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](CC)C(C)C)cc1)C(C)C ZINC000102479403 454505823 /nfs/dbraw/zinc/50/58/23/454505823.db2.gz XHQMODPRPPRJAX-UHFFFAOYSA-N 2 0 333.520 3.377 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246234227 455454612 /nfs/dbraw/zinc/45/46/12/455454612.db2.gz IBMASWFSBSPHSV-XUVXKRRUSA-N 2 0 349.563 3.399 20 0 EGADRP C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123159896 454609119 /nfs/dbraw/zinc/60/91/19/454609119.db2.gz KHJURMIXEDNKAJ-HNNXBMFYSA-N 2 0 342.487 3.038 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cccnc3)cc2)CC1 ZINC000092739567 454621960 /nfs/dbraw/zinc/62/19/60/454621960.db2.gz CBUGNPBLCHMCHM-GOSISDBHSA-N 2 0 338.499 3.070 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123402904 454633543 /nfs/dbraw/zinc/63/35/43/454633543.db2.gz SHPRLOTZKBSUKD-PMACEKPBSA-N 2 0 329.532 3.184 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123553863 454651394 /nfs/dbraw/zinc/65/13/94/454651394.db2.gz NVJOBGFVNORPKW-IAGOWNOFSA-N 2 0 340.471 3.010 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000123582841 454655322 /nfs/dbraw/zinc/65/53/22/454655322.db2.gz VLLYODQVSWFXBS-JXFKEZNVSA-N 2 0 328.456 3.011 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000066178622 454664491 /nfs/dbraw/zinc/66/44/91/454664491.db2.gz ZQUSQFTYQXQGMP-QGZVFWFLSA-N 2 0 348.535 3.056 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000635004630 460647880 /nfs/dbraw/zinc/64/78/80/460647880.db2.gz JJDSFQUCMCNZFW-NQQSBDJJSA-N 3 0 327.516 3.289 20 0 EGADRP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000635004937 460648371 /nfs/dbraw/zinc/64/83/71/460648371.db2.gz RFPHMQFMJHJHGU-WFVVYAPDSA-N 2 0 341.421 3.181 20 0 EGADRP C[C@@H](c1cccnc1)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093234809 454694293 /nfs/dbraw/zinc/69/42/93/454694293.db2.gz CIRLZKCFVWEXPR-ROUUACIJSA-N 2 0 342.487 3.179 20 0 EGADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC)cc1 ZINC000124347081 454721629 /nfs/dbraw/zinc/72/16/29/454721629.db2.gz WLGYEVLSAIOTRH-OAQYLSRUSA-N 2 0 347.547 3.400 20 0 EGADRP CN(CCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161826413 454726476 /nfs/dbraw/zinc/72/64/76/454726476.db2.gz SUCPUDIFSXVCFK-UHFFFAOYSA-N 2 0 329.532 3.459 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2CSC)CC1 ZINC000093761361 454732911 /nfs/dbraw/zinc/73/29/11/454732911.db2.gz FIDYTFOHZVGBED-SFHVURJKSA-N 2 0 333.545 3.156 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000136737842 454754607 /nfs/dbraw/zinc/75/46/07/454754607.db2.gz HEYCZPMBXINDOS-UHFFFAOYSA-N 2 0 325.294 3.456 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccn(C)c3)CC2)cc1 ZINC000124552189 454747231 /nfs/dbraw/zinc/74/72/31/454747231.db2.gz NISAHVSPKXJMET-UHFFFAOYSA-N 2 0 327.472 3.036 20 0 EGADRP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000162812182 454802075 /nfs/dbraw/zinc/80/20/75/454802075.db2.gz JMTRVANPRUSKAE-QRVBRYPASA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000163109499 454823661 /nfs/dbraw/zinc/82/36/61/454823661.db2.gz OSEWFZSWBIXECQ-OXQOHEQNSA-N 2 0 334.504 3.219 20 0 EGADRP CC1CC[NH+](CCN(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000153927649 454847465 /nfs/dbraw/zinc/84/74/65/454847465.db2.gz OKWVEXRJQZYALB-UHFFFAOYSA-N 2 0 329.532 3.315 20 0 EGADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000177450818 454865051 /nfs/dbraw/zinc/86/50/51/454865051.db2.gz JXVDVBXZTTVUGQ-GOSISDBHSA-N 2 0 345.531 3.408 20 0 EGADRP CCC[C@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163957686 454869999 /nfs/dbraw/zinc/86/99/99/454869999.db2.gz MHTIFVJSOGJFNQ-KRWDZBQOSA-N 2 0 334.504 3.454 20 0 EGADRP CC(C)OCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510347 454871771 /nfs/dbraw/zinc/87/17/71/454871771.db2.gz MKYDOZMBSXYSSB-HDICACEKSA-N 2 0 326.525 3.013 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000154282728 454881109 /nfs/dbraw/zinc/88/11/09/454881109.db2.gz DUTRYDVNBUNVHG-GOSISDBHSA-N 2 0 325.447 3.033 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164838304 454890011 /nfs/dbraw/zinc/89/00/11/454890011.db2.gz PNFKVEJHUVKHJZ-HDICACEKSA-N 2 0 345.531 3.169 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000164844685 454890165 /nfs/dbraw/zinc/89/01/65/454890165.db2.gz OOAHAJKIANZBDK-QZTJIDSGSA-N 2 0 345.531 3.169 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCSC2)cc1OC ZINC000164914852 454891031 /nfs/dbraw/zinc/89/10/31/454891031.db2.gz UEAOAAIOISAJEB-MRXNPFEDSA-N 2 0 338.517 3.011 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1Cl ZINC000150803994 454894899 /nfs/dbraw/zinc/89/48/99/454894899.db2.gz BQJMGXMQJFCJTI-HNNXBMFYSA-N 2 0 335.879 3.086 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000166052553 454907665 /nfs/dbraw/zinc/90/76/65/454907665.db2.gz VDIDPKVBDUXTTM-BBRMVZONSA-N 2 0 343.309 3.457 20 0 EGADRP COc1ccc(C)nc1NCc1cnc2ccc(Br)cn12 ZINC000150978640 454920892 /nfs/dbraw/zinc/92/08/92/454920892.db2.gz SEZQSFSZXKMNPN-UHFFFAOYSA-N 2 0 347.216 3.421 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000150983503 454921598 /nfs/dbraw/zinc/92/15/98/454921598.db2.gz NGKMTTATNUQNDI-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000177956699 454923126 /nfs/dbraw/zinc/92/31/26/454923126.db2.gz ZEQGULIDURZERE-LSDHHAIUSA-N 2 0 330.476 3.081 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000150995616 454923288 /nfs/dbraw/zinc/92/32/88/454923288.db2.gz FLOGJLOQSZHTIF-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178077668 454932888 /nfs/dbraw/zinc/93/28/88/454932888.db2.gz KPUREXYSPFVRFC-UYAOXDASSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000178634814 454965403 /nfs/dbraw/zinc/96/54/03/454965403.db2.gz BZMPQWCSKQSLQV-NQIIRXRSSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127516471 454972265 /nfs/dbraw/zinc/97/22/65/454972265.db2.gz VIYLNPNMIIQGJE-CJNGLKHVSA-N 2 0 339.936 3.102 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000155708889 455034346 /nfs/dbraw/zinc/03/43/46/455034346.db2.gz AZINIFQVKAVPAK-CTNGQTDRSA-N 2 0 331.548 3.259 20 0 EGADRP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000179435195 455047333 /nfs/dbraw/zinc/04/73/33/455047333.db2.gz HISNGLXOGDGHKD-MRXNPFEDSA-N 2 0 335.455 3.126 20 0 EGADRP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000179435204 455047446 /nfs/dbraw/zinc/04/74/46/455047446.db2.gz HISNGLXOGDGHKD-INIZCTEOSA-N 2 0 335.455 3.126 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000156192594 455091453 /nfs/dbraw/zinc/09/14/53/455091453.db2.gz YBHMHYUVBJBXGB-UHFFFAOYSA-N 2 0 325.456 3.105 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2)n1 ZINC000118841873 455113463 /nfs/dbraw/zinc/11/34/63/455113463.db2.gz ABCKWYQYDXQNAK-LJQANCHMSA-N 2 0 326.488 3.263 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000152411892 455115182 /nfs/dbraw/zinc/11/51/82/455115182.db2.gz SCEYMCGAWXCYLM-NSHGMRRFSA-N 2 0 330.516 3.362 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1F ZINC000180060954 455125608 /nfs/dbraw/zinc/12/56/08/455125608.db2.gz SMEKHXVQTINSAC-IBGZPJMESA-N 2 0 342.462 3.213 20 0 EGADRP Cc1cc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ccn1 ZINC000119188847 455131206 /nfs/dbraw/zinc/13/12/06/455131206.db2.gz PXCZTJJYJUMBME-OAHLLOKOSA-N 2 0 339.443 3.132 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@@H]2CCO[C@@H]21 ZINC000180167225 455143602 /nfs/dbraw/zinc/14/36/02/455143602.db2.gz LGWGMPBKMLWYLR-XAYQJVIWSA-N 2 0 340.511 3.300 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623657485 460665168 /nfs/dbraw/zinc/66/51/68/460665168.db2.gz ROZPDYIQKRQNBR-FQEVSTJZSA-N 2 0 329.532 3.015 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237467184 455186712 /nfs/dbraw/zinc/18/67/12/455186712.db2.gz CQNCMPKISDUHSZ-HNAYVOBHSA-N 2 0 325.456 3.331 20 0 EGADRP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237539480 455192925 /nfs/dbraw/zinc/19/29/25/455192925.db2.gz BHYUEASTMJZXII-PXNSSMCTSA-N 2 0 339.483 3.103 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]CCCC[N@H+]3CCCC[C@H]3C)cc12 ZINC000237673053 455206019 /nfs/dbraw/zinc/20/60/19/455206019.db2.gz CSSHKFJHGNQWSM-OAHLLOKOSA-N 2 0 329.492 3.021 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000181326856 455318174 /nfs/dbraw/zinc/31/81/74/455318174.db2.gz CEMDAMOZVPXEOO-UHFFFAOYSA-N 2 0 345.409 3.332 20 0 EGADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCCN3CC[NH+](C)CC3)oc21 ZINC000181418572 455332132 /nfs/dbraw/zinc/33/21/32/455332132.db2.gz FKDRGZBVLUJMJV-MRXNPFEDSA-N 2 0 345.487 3.120 20 0 EGADRP CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245737263 455369586 /nfs/dbraw/zinc/36/95/86/455369586.db2.gz TYXHMSWRNUBONY-DFQSSKMNSA-N 2 0 347.547 3.138 20 0 EGADRP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C)s1 ZINC000245743926 455370117 /nfs/dbraw/zinc/37/01/17/455370117.db2.gz XSFITTNRSNCZQQ-DOMZBBRYSA-N 2 0 333.457 3.123 20 0 EGADRP CCOC(=O)CCCC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184751246 455441381 /nfs/dbraw/zinc/44/13/81/455441381.db2.gz RDZMKMOKSIVXHJ-HTZLVSCSSA-N 2 0 346.515 3.466 20 0 EGADRP C([NH+]1C[C@@H]2CCCC[C@@H]2C1)C1(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)COC1 ZINC000182219945 455464454 /nfs/dbraw/zinc/46/44/54/455464454.db2.gz KQQJUBWPYMADRW-FGYAAKKASA-N 2 0 332.532 3.247 20 0 EGADRP COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182263492 455475250 /nfs/dbraw/zinc/47/52/50/455475250.db2.gz SAPHORNLOOKWMK-LPHOPBHVSA-N 2 0 340.467 3.113 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000182267327 455476917 /nfs/dbraw/zinc/47/69/17/455476917.db2.gz KNTYBRSABASAHA-VQTJNVASSA-N 2 0 339.483 3.279 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000267178845 455512069 /nfs/dbraw/zinc/51/20/69/455512069.db2.gz JVOPUDUMCRMQAU-UHFFFAOYSA-N 2 0 345.462 3.201 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247026071 455547185 /nfs/dbraw/zinc/54/71/85/455547185.db2.gz LYHHFDDUNZLEMJ-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247038622 455549008 /nfs/dbraw/zinc/54/90/08/455549008.db2.gz OBEIEOGPCHYGTL-CBGDNZLLSA-N 2 0 340.515 3.432 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192105829 455557274 /nfs/dbraw/zinc/55/72/74/455557274.db2.gz YHWQPDFAHXCGQZ-KBRIMQKVSA-N 2 0 326.843 3.383 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182646562 455559709 /nfs/dbraw/zinc/55/97/09/455559709.db2.gz QNPIHLBIRZJPER-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247114770 455562052 /nfs/dbraw/zinc/56/20/52/455562052.db2.gz QVPLYYKFLLZEFS-DBXWQHBBSA-N 2 0 347.547 3.226 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000601019076 460678268 /nfs/dbraw/zinc/67/82/68/460678268.db2.gz GRAZZTPWHGAIDT-MJGOQNOKSA-N 2 0 345.531 3.497 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245879 455578370 /nfs/dbraw/zinc/57/83/70/455578370.db2.gz ZGAUGDQTOKQJIA-FXAWDEMLSA-N 2 0 329.532 3.143 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000268188471 455613719 /nfs/dbraw/zinc/61/37/19/455613719.db2.gz XACASROWXYSWJT-UHFFFAOYSA-N 2 0 337.533 3.196 20 0 EGADRP CCCCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000284155791 455644741 /nfs/dbraw/zinc/64/47/41/455644741.db2.gz DSXKWTIBKZHNQA-SFHVURJKSA-N 2 0 333.520 3.154 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccsc2)cc1 ZINC000277763692 455659477 /nfs/dbraw/zinc/65/94/77/455659477.db2.gz QOYMNHKXMBQSBA-UHFFFAOYSA-N 2 0 343.540 3.484 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271504081 455662277 /nfs/dbraw/zinc/66/22/77/455662277.db2.gz MQMDJIDSSZAFRB-BEVDRBHNSA-N 2 0 332.488 3.114 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccccc2OC)[C@@H](C)C1 ZINC000248025880 455671830 /nfs/dbraw/zinc/67/18/30/455671830.db2.gz PANYCWBUDIPUEX-SCTDSRPQSA-N 2 0 334.504 3.483 20 0 EGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1cccc(F)c1 ZINC000192740758 455683272 /nfs/dbraw/zinc/68/32/72/455683272.db2.gz DHLHNGUKYMLSET-UHFFFAOYSA-N 2 0 349.538 3.496 20 0 EGADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000248178047 455694978 /nfs/dbraw/zinc/69/49/78/455694978.db2.gz VYNQNELUEGPZTJ-MAUKXSAKSA-N 2 0 326.431 3.242 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000192840103 455704771 /nfs/dbraw/zinc/70/47/71/455704771.db2.gz QZYPJHJRHOSFGU-VXKWHMMOSA-N 2 0 343.559 3.404 20 0 EGADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923164 455718227 /nfs/dbraw/zinc/71/82/27/455718227.db2.gz JMPALJXEOZTAKB-FCHUYYIVSA-N 2 0 338.495 3.356 20 0 EGADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000271717406 455732337 /nfs/dbraw/zinc/73/23/37/455732337.db2.gz NKTGRQSYJBDMOO-INIZCTEOSA-N 2 0 344.421 3.449 20 0 EGADRP COCCC[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271745170 455742911 /nfs/dbraw/zinc/74/29/11/455742911.db2.gz DKIDMISACGABQO-SFHVURJKSA-N 2 0 334.504 3.108 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000249973077 455783894 /nfs/dbraw/zinc/78/38/94/455783894.db2.gz KOSFVPRLLNQKKB-UQVNRYHBSA-N 2 0 328.500 3.038 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186566382 455794528 /nfs/dbraw/zinc/79/45/28/455794528.db2.gz BVRAVBVPOCAHCF-UYAOXDASSA-N 2 0 329.532 3.296 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC(F)F ZINC000271878965 455797407 /nfs/dbraw/zinc/79/74/07/455797407.db2.gz OXBNXDUVKCPMRG-GFCCVEGCSA-N 2 0 326.387 3.209 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000186601487 455802898 /nfs/dbraw/zinc/80/28/98/455802898.db2.gz NJCGKLJPLGYGLB-PELRDEGISA-N 2 0 329.532 3.328 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000186604337 455804606 /nfs/dbraw/zinc/80/46/06/455804606.db2.gz KUPDGPXQISCIMU-CABCVRRESA-N 2 0 343.437 3.382 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186603624 455804642 /nfs/dbraw/zinc/80/46/42/455804642.db2.gz UHWSBNMIEWIBLI-IAGOWNOFSA-N 2 0 335.561 3.475 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285430274 455843951 /nfs/dbraw/zinc/84/39/51/455843951.db2.gz YOIFSLNYYSDVHL-QHGAOEGBSA-N 2 0 326.488 3.304 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CCC(=O)CC1 ZINC000296217883 455883783 /nfs/dbraw/zinc/88/37/83/455883783.db2.gz GMISYLFXFUASOP-UHFFFAOYSA-N 2 0 329.488 3.379 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000272293548 455904434 /nfs/dbraw/zinc/90/44/34/455904434.db2.gz FOSLOBIRZFMOCH-GJYPPUQNSA-N 2 0 326.488 3.290 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000261649852 455920999 /nfs/dbraw/zinc/92/09/99/455920999.db2.gz FHXSAAZUTGFUAW-UHFFFAOYSA-N 2 0 328.460 3.466 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000261681999 455927098 /nfs/dbraw/zinc/92/70/98/455927098.db2.gz IEDMPCNDVXFATL-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000261698040 455930427 /nfs/dbraw/zinc/93/04/27/455930427.db2.gz CSLOXLKTYLRSTL-MRXNPFEDSA-N 2 0 347.503 3.111 20 0 EGADRP CCn1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000285893380 455937260 /nfs/dbraw/zinc/93/72/60/455937260.db2.gz AXMBMZGNMZLHHV-UHFFFAOYSA-N 2 0 326.488 3.436 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000261765099 455943379 /nfs/dbraw/zinc/94/33/79/455943379.db2.gz NWPWKQXQVLGZSV-UKRRQHHQSA-N 2 0 326.444 3.076 20 0 EGADRP CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261762747 455943468 /nfs/dbraw/zinc/94/34/68/455943468.db2.gz DDVKTAYMZUUHRG-MRXNPFEDSA-N 2 0 349.544 3.064 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000261783504 455947937 /nfs/dbraw/zinc/94/79/37/455947937.db2.gz BKYQNIFURYIIRM-IAGOWNOFSA-N 2 0 329.488 3.247 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261803725 455950937 /nfs/dbraw/zinc/95/09/37/455950937.db2.gz RFQMWJXKWMOYSK-ABSDTBQOSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261817659 455953138 /nfs/dbraw/zinc/95/31/38/455953138.db2.gz SIPSKTUBRUTIDS-ABSDTBQOSA-N 2 0 343.515 3.195 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000285998462 455957465 /nfs/dbraw/zinc/95/74/65/455957465.db2.gz IMBAIINVHANWOH-HZPDHXFCSA-N 2 0 338.492 3.020 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000261843507 455958271 /nfs/dbraw/zinc/95/82/71/455958271.db2.gz VDVRNWNJSHNBBB-HHXXYDBFSA-N 2 0 329.488 3.375 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC000286014728 455960825 /nfs/dbraw/zinc/96/08/25/455960825.db2.gz PNUFUVDLBZBHHV-OAQYLSRUSA-N 2 0 327.516 3.069 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261949918 455975419 /nfs/dbraw/zinc/97/54/19/455975419.db2.gz FVNSIRBACVSHHK-NRFANRHFSA-N 2 0 332.451 3.211 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000261966538 455978383 /nfs/dbraw/zinc/97/83/83/455978383.db2.gz SVDOEJLVXMIFKS-VQIMIIECSA-N 2 0 341.499 3.247 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000296584255 455980768 /nfs/dbraw/zinc/98/07/68/455980768.db2.gz XATQZQWKVRCITH-DLBZAZTESA-N 2 0 331.504 3.065 20 0 EGADRP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000262007342 455985195 /nfs/dbraw/zinc/98/51/95/455985195.db2.gz RYWZHUGRIRNCLW-SJORKVTESA-N 2 0 345.531 3.136 20 0 EGADRP C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262082620 455994870 /nfs/dbraw/zinc/99/48/70/455994870.db2.gz TZGYRSHXOZCRRH-OXQOHEQNSA-N 2 0 332.451 3.318 20 0 EGADRP CC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000286263279 456011235 /nfs/dbraw/zinc/01/12/35/456011235.db2.gz VBNLVHWNIJGSBZ-SLFFLAALSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000272612270 456013695 /nfs/dbraw/zinc/01/36/95/456013695.db2.gz ZMZHSKOJYZPKMV-NSHGMRRFSA-N 2 0 326.488 3.162 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000272615102 456015679 /nfs/dbraw/zinc/01/56/79/456015679.db2.gz VEVZAWFSKIRJHX-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP Cc1ccnc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000286297524 456018258 /nfs/dbraw/zinc/01/82/58/456018258.db2.gz WOCIGXDPZSAUHI-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP Cc1ncsc1CN(C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286300175 456019113 /nfs/dbraw/zinc/01/91/13/456019113.db2.gz GMBJNPXZHNMVMO-UHFFFAOYSA-N 2 0 344.528 3.096 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262303064 456022434 /nfs/dbraw/zinc/02/24/34/456022434.db2.gz QUFCQZJSJOAQOL-NXHRZFHOSA-N 2 0 329.488 3.375 20 0 EGADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000286358581 456031920 /nfs/dbraw/zinc/03/19/20/456031920.db2.gz ZBOBJEAHNQPOGO-BIRZXAFVSA-N 2 0 340.511 3.204 20 0 EGADRP C[C@@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000262527332 456042594 /nfs/dbraw/zinc/04/25/94/456042594.db2.gz PBQGKWFMFDMLAU-YPMHNXCESA-N 2 0 344.286 3.381 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](C)c3ccccc3)CC2)CC1 ZINC000270938410 456071581 /nfs/dbraw/zinc/07/15/81/456071581.db2.gz RCJXNESHWKBBEB-IBGZPJMESA-N 2 0 329.532 3.281 20 0 EGADRP c1cncc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CCC2)c1 ZINC000280934779 456086799 /nfs/dbraw/zinc/08/67/99/456086799.db2.gz SAZMVYOGNOKFOA-OXQOHEQNSA-N 2 0 329.488 3.013 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000229506521 456129728 /nfs/dbraw/zinc/12/97/28/456129728.db2.gz HFTSGUHPHRAWNE-QMMMGPOBSA-N 2 0 325.172 3.295 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333091153 456158229 /nfs/dbraw/zinc/15/82/29/456158229.db2.gz CLGHEFIOYKVIRK-JXFKEZNVSA-N 2 0 328.456 3.460 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236663563 456165231 /nfs/dbraw/zinc/16/52/31/456165231.db2.gz HDNDKRHZPSWDJL-YLJYHZDGSA-N 2 0 345.531 3.169 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000236687144 456170216 /nfs/dbraw/zinc/17/02/16/456170216.db2.gz NSJJBKZTUDJQQI-KRWDZBQOSA-N 2 0 345.531 3.300 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CC2CC[NH2+]CC2)c1 ZINC000236726972 456175715 /nfs/dbraw/zinc/17/57/15/456175715.db2.gz RNPUQIUHXIWLQU-UHFFFAOYSA-N 2 0 345.531 3.315 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000273204345 456213916 /nfs/dbraw/zinc/21/39/16/456213916.db2.gz JJKCHQZWPUPTSD-HOTGVXAUSA-N 2 0 335.492 3.090 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1C ZINC000273207050 456214546 /nfs/dbraw/zinc/21/45/46/456214546.db2.gz SGSHOURWNNFGBJ-QUCCMNQESA-N 2 0 347.547 3.235 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000236994778 456216649 /nfs/dbraw/zinc/21/66/49/456216649.db2.gz BQKYGRIMRFHPGV-QGZVFWFLSA-N 2 0 331.504 3.036 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189123136 456233504 /nfs/dbraw/zinc/23/35/04/456233504.db2.gz GYTOBPMEAIREEP-FPOVZHCZSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@H](C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000189152408 456241653 /nfs/dbraw/zinc/24/16/53/456241653.db2.gz LOGRYJXPJDHYTJ-GFCCVEGCSA-N 2 0 349.828 3.084 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189185019 456248655 /nfs/dbraw/zinc/24/86/55/456248655.db2.gz OIBNLZUKTHQWRH-QHAWAJNXSA-N 2 0 330.516 3.224 20 0 EGADRP CC(C)Oc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000297555052 456250773 /nfs/dbraw/zinc/25/07/73/456250773.db2.gz ZWZMRGONFYOYBQ-NRFANRHFSA-N 2 0 345.531 3.293 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297757344 456288126 /nfs/dbraw/zinc/28/81/26/456288126.db2.gz USRKIOYZZZUMDH-SFHVURJKSA-N 3 0 330.520 3.008 20 0 EGADRP Cc1ncsc1CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297799849 456296817 /nfs/dbraw/zinc/29/68/17/456296817.db2.gz XJYOUAQSWPBWGV-UHFFFAOYSA-N 2 0 338.480 3.364 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2cnccc2C)[C@H](C)C1 ZINC000290387392 456313213 /nfs/dbraw/zinc/31/32/13/456313213.db2.gz OJRNVDCGRFCBRJ-QUCCMNQESA-N 2 0 333.520 3.049 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCC(C)(C)[NH+]1CCCCC1)C(C)C ZINC000347700617 456314650 /nfs/dbraw/zinc/31/46/50/456314650.db2.gz BRXLXHCTYZKVNE-UHFFFAOYSA-N 2 0 340.556 3.059 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000281842392 456338446 /nfs/dbraw/zinc/33/84/46/456338446.db2.gz AQUKIWAXGRUYMB-UHFFFAOYSA-N 2 0 345.506 3.331 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)CC1 ZINC000352830724 456345795 /nfs/dbraw/zinc/34/57/95/456345795.db2.gz VAJFPQMLQBYTIN-UHFFFAOYSA-N 2 0 349.478 3.470 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC000290530885 456354988 /nfs/dbraw/zinc/35/49/88/456354988.db2.gz QQRCPRPKPROYCB-KRWDZBQOSA-N 2 0 342.462 3.380 20 0 EGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298266680 456411293 /nfs/dbraw/zinc/41/12/93/456411293.db2.gz GCMANCGLGJRZOY-QGZVFWFLSA-N 2 0 330.520 3.151 20 0 EGADRP COc1ccccc1[C@@H]1CC[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347862745 456412351 /nfs/dbraw/zinc/41/23/51/456412351.db2.gz WUNQJZVTOYIBSZ-CQSZACIVSA-N 2 0 331.485 3.203 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCCC2)ncn1 ZINC000302862137 456419155 /nfs/dbraw/zinc/41/91/55/456419155.db2.gz VXAVOPLTMJSMQZ-WMZOPIPTSA-N 2 0 337.471 3.009 20 0 EGADRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000340433605 456457670 /nfs/dbraw/zinc/45/76/70/456457670.db2.gz FMRQQXFEERCYNF-GASCZTMLSA-N 2 0 340.895 3.328 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000348087509 456469150 /nfs/dbraw/zinc/46/91/50/456469150.db2.gz PHQGWSRGNYXUNT-IAGOWNOFSA-N 2 0 327.476 3.182 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000298621931 456501841 /nfs/dbraw/zinc/50/18/41/456501841.db2.gz PFIWOURJAIJSTQ-ULQDDVLXSA-N 2 0 347.503 3.135 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000340586150 456548897 /nfs/dbraw/zinc/54/88/97/456548897.db2.gz KIPCLKOIRNPTQE-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1OC ZINC000298832145 456550944 /nfs/dbraw/zinc/55/09/44/456550944.db2.gz HSTRHQKQDPKYPU-RHSMWYFYSA-N 2 0 341.455 3.173 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353201693 456555305 /nfs/dbraw/zinc/55/53/05/456555305.db2.gz HRYLXGXCKHACIS-TZIWHRDSSA-N 2 0 343.515 3.019 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348236237 456557094 /nfs/dbraw/zinc/55/70/94/456557094.db2.gz BMMJVDQGBYTFME-BVOGOJNSSA-N 2 0 328.500 3.148 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189144 456559133 /nfs/dbraw/zinc/55/91/33/456559133.db2.gz OYDKWOIQMWIDGO-WMLDXEAASA-N 2 0 344.421 3.403 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000307946236 456571692 /nfs/dbraw/zinc/57/16/92/456571692.db2.gz JDVOUBWPZKFVSM-IAGOWNOFSA-N 2 0 344.421 3.192 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000353245339 456583518 /nfs/dbraw/zinc/58/35/18/456583518.db2.gz UDDYLMGJYREVAW-OXJNMPFZSA-N 2 0 346.515 3.244 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000291286722 456591716 /nfs/dbraw/zinc/59/17/16/456591716.db2.gz VIAYHCBYIVFSBU-MRXNPFEDSA-N 2 0 344.503 3.130 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCC(F)(F)CC1 ZINC000353275899 456603951 /nfs/dbraw/zinc/60/39/51/456603951.db2.gz KTOBVQZWWKYNLE-JQFCIGGWSA-N 2 0 330.463 3.168 20 0 EGADRP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282773919 456619841 /nfs/dbraw/zinc/61/98/41/456619841.db2.gz XDFJVKRZBCMOHL-UHFFFAOYSA-N 2 0 326.488 3.358 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299182478 456629208 /nfs/dbraw/zinc/62/92/08/456629208.db2.gz ZJEKBAWGHMUADD-DLBZAZTESA-N 2 0 329.488 3.258 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)cc1)C(C)C ZINC000343455459 456632472 /nfs/dbraw/zinc/63/24/72/456632472.db2.gz PXVRQQCXAGYEHI-QFBILLFUSA-N 2 0 331.504 3.129 20 0 EGADRP COCCN1CCC([NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000353341829 456644906 /nfs/dbraw/zinc/64/49/06/456644906.db2.gz UVARAUGTBOEUTA-IBGZPJMESA-N 2 0 332.488 3.118 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H](C)C2)cc1 ZINC000338001954 456649391 /nfs/dbraw/zinc/64/93/91/456649391.db2.gz MQZQTDCTDUHJFG-GOSISDBHSA-N 2 0 345.531 3.380 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000343487596 456653162 /nfs/dbraw/zinc/65/31/62/456653162.db2.gz INEKQOILSHNBOM-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353389349 456667147 /nfs/dbraw/zinc/66/71/47/456667147.db2.gz VFFFCMJGEXNUSX-ZCNNSNEGSA-N 2 0 342.462 3.282 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CSCCc3ccccc32)CCCO1 ZINC000348421350 456679513 /nfs/dbraw/zinc/67/95/13/456679513.db2.gz MZLLZQAWCNEWBE-LPHOPBHVSA-N 2 0 334.529 3.108 20 0 EGADRP C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000299401111 456681223 /nfs/dbraw/zinc/68/12/23/456681223.db2.gz YHJVIEPWNUKOCL-KRWDZBQOSA-N 2 0 346.519 3.177 20 0 EGADRP CC(C)[C@H](C[NH2+]C[C@H](c1ccccc1)C(C)C)N1CC[NH+](C)CC1 ZINC000325797439 456686027 /nfs/dbraw/zinc/68/60/27/456686027.db2.gz JJBZGEIUDQGZHB-SFTDATJTSA-N 2 0 331.548 3.288 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000326593436 456696281 /nfs/dbraw/zinc/69/62/81/456696281.db2.gz DGIAJADEIPXZCQ-MOPGFXCFSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277186597 456714050 /nfs/dbraw/zinc/71/40/50/456714050.db2.gz UKFBOZCLDHFOGF-SFTDATJTSA-N 2 0 348.506 3.362 20 0 EGADRP CSc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000338220125 456714505 /nfs/dbraw/zinc/71/45/05/456714505.db2.gz JJXMGKKZSJGNHH-UHFFFAOYSA-N 2 0 334.529 3.343 20 0 EGADRP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2cnn(C)c2)c1 ZINC000283143045 456720451 /nfs/dbraw/zinc/72/04/51/456720451.db2.gz WWOKDYZBTFKBGP-UHFFFAOYSA-N 2 0 326.488 3.313 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000338238625 456724781 /nfs/dbraw/zinc/72/47/81/456724781.db2.gz UBNRENRRSJZTOO-WOJBJXKFSA-N 2 0 338.536 3.364 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](CCc2ccc(F)cc2)C2CC2)CC1 ZINC000283184057 456729717 /nfs/dbraw/zinc/72/97/17/456729717.db2.gz FGQPVBPPYOKOSJ-UHFFFAOYSA-N 2 0 347.522 3.249 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC000283220663 456740330 /nfs/dbraw/zinc/74/03/30/456740330.db2.gz HWZWBSABFNLZGK-HNNXBMFYSA-N 2 0 325.447 3.032 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553605 456754527 /nfs/dbraw/zinc/75/45/27/456754527.db2.gz SNZIFYYAHYOHDU-RBUKOAKNSA-N 2 0 344.499 3.363 20 0 EGADRP Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc2[nH+]1 ZINC000301092358 456793484 /nfs/dbraw/zinc/79/34/84/456793484.db2.gz NCRQTQAFKPJVST-LJQANCHMSA-N 2 0 347.462 3.374 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000348665370 456806969 /nfs/dbraw/zinc/80/69/69/456806969.db2.gz ZINSUZXDRWUVFQ-YLJYHZDGSA-N 2 0 345.531 3.121 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC[NH+](C)CC1 ZINC000353629988 456816167 /nfs/dbraw/zinc/81/61/67/456816167.db2.gz LLCNSFMJXUQWMB-MRXNPFEDSA-N 2 0 344.528 3.350 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)c1)O[C@@H](C)C2 ZINC000329039487 456820532 /nfs/dbraw/zinc/82/05/32/456820532.db2.gz DBWRJIBVVSZJSJ-UONOGXRCSA-N 2 0 327.428 3.121 20 0 EGADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000338442731 456821381 /nfs/dbraw/zinc/82/13/81/456821381.db2.gz YFYWXQFEEFNNCH-HNNXBMFYSA-N 2 0 347.890 3.396 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000292198934 456882860 /nfs/dbraw/zinc/88/28/60/456882860.db2.gz YCSCCHMKHFDAQL-WMZOPIPTSA-N 2 0 329.488 3.389 20 0 EGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)C(C)C)CC1 ZINC000338974187 456883542 /nfs/dbraw/zinc/88/35/42/456883542.db2.gz NTBJYYSDYIJRLV-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP COC(=O)C[C@@H]1CCC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000353749772 456888629 /nfs/dbraw/zinc/88/86/29/456888629.db2.gz UAGCSNUPVXSHLK-SFHVURJKSA-N 2 0 332.488 3.172 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000349246902 456922879 /nfs/dbraw/zinc/92/28/79/456922879.db2.gz YLAPVXMUHCTHJF-JENIJYKNSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339068699 456926033 /nfs/dbraw/zinc/92/60/33/456926033.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 2 0 327.516 3.113 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(C)n2)[C@H](C)C1 ZINC000353864823 456941917 /nfs/dbraw/zinc/94/19/17/456941917.db2.gz JXGZOWJNYZWKMV-YLJYHZDGSA-N 2 0 333.520 3.049 20 0 EGADRP C[C@H]([NH2+]Cc1cnn2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000353893188 456954648 /nfs/dbraw/zinc/95/46/48/456954648.db2.gz ZRVHPIJZKXLEQW-INIZCTEOSA-N 2 0 338.455 3.126 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000341856685 456973736 /nfs/dbraw/zinc/97/37/36/456973736.db2.gz ZFRXDFULEFNEBX-QFBILLFUSA-N 2 0 329.488 3.055 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000353948364 456975852 /nfs/dbraw/zinc/97/58/52/456975852.db2.gz UGQNHUJGDPJGQZ-WCQYABFASA-N 2 0 332.366 3.024 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000353948363 456976214 /nfs/dbraw/zinc/97/62/14/456976214.db2.gz UGQNHUJGDPJGQZ-DGCLKSJQSA-N 2 0 332.366 3.024 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000356603747 457078803 /nfs/dbraw/zinc/07/88/03/457078803.db2.gz SGIXEHUUWGRDEM-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000339407530 457097888 /nfs/dbraw/zinc/09/78/88/457097888.db2.gz OKAUCTZAKUXMDM-UHFFFAOYSA-N 2 0 328.859 3.242 20 0 EGADRP CSc1cc(Br)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000346671177 457104815 /nfs/dbraw/zinc/10/48/15/457104815.db2.gz SXVAABVSRACKCC-UHFFFAOYSA-N 2 0 329.307 3.342 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@H]21 ZINC000342098738 457107119 /nfs/dbraw/zinc/10/71/19/457107119.db2.gz ISANXRKMNHTERL-HMXCVIKNSA-N 2 0 337.467 3.220 20 0 EGADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426537 457109869 /nfs/dbraw/zinc/10/98/69/457109869.db2.gz NULZWIKZCBYUQS-YADHBBJMSA-N 2 0 338.495 3.161 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000346692079 457115211 /nfs/dbraw/zinc/11/52/11/457115211.db2.gz YRYUVDDRWUKGRA-UHFFFAOYSA-N 2 0 349.219 3.221 20 0 EGADRP O[C@H](C[NH2+]CCCCc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000354198535 457124682 /nfs/dbraw/zinc/12/46/82/457124682.db2.gz JGUJLRBJFOXUOY-QGZVFWFLSA-N 2 0 344.421 3.074 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C(C)C)cc1)C1CC1 ZINC000356748733 457147200 /nfs/dbraw/zinc/14/72/00/457147200.db2.gz WHIHMFFMTUQGKF-INIZCTEOSA-N 2 0 331.504 3.129 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359925071 457151424 /nfs/dbraw/zinc/15/14/24/457151424.db2.gz KRQMQENAJOABDA-DBXWQHBBSA-N 3 0 329.532 3.348 20 0 EGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362930766 457162205 /nfs/dbraw/zinc/16/22/05/457162205.db2.gz NOMXZVRAFMKFME-UHFFFAOYSA-N 2 0 346.515 3.456 20 0 EGADRP Fc1ccc(C[N@H+](CCc2ccccn2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346841427 457180833 /nfs/dbraw/zinc/18/08/33/457180833.db2.gz VYLYRZQBJGGHDX-GOSISDBHSA-N 2 0 327.447 3.265 20 0 EGADRP CCCCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346842232 457182371 /nfs/dbraw/zinc/18/23/71/457182371.db2.gz HTOABXZCNXHUMD-KSZLIROESA-N 2 0 332.488 3.433 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCOC1 ZINC000356849506 457182869 /nfs/dbraw/zinc/18/28/69/457182869.db2.gz PNWIDYJQAJDLLT-IIMDRIAPSA-N 2 0 346.515 3.201 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000354323245 457185126 /nfs/dbraw/zinc/18/51/26/457185126.db2.gz BGKWVUADICWPDD-LMMKCTJWSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347051844 457204644 /nfs/dbraw/zinc/20/46/44/457204644.db2.gz RLWNQJVZPLFNPO-QFBILLFUSA-N 2 0 325.456 3.220 20 0 EGADRP CSc1cc2c(cc1C[NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)OCCO2 ZINC000347109900 457234311 /nfs/dbraw/zinc/23/43/11/457234311.db2.gz PQUVHSDJIKPXPK-INIZCTEOSA-N 2 0 348.512 3.144 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347205579 457287207 /nfs/dbraw/zinc/28/72/07/457287207.db2.gz LUGHMOQFZVOYDR-KXBFYZLASA-N 2 0 326.488 3.107 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000342412919 457290009 /nfs/dbraw/zinc/29/00/09/457290009.db2.gz HTVRADVJJKKWJF-HUUCEWRRSA-N 2 0 345.409 3.233 20 0 EGADRP C[N@H+](Cc1ccc(Br)c2cccnc12)C1CC[NH2+]CC1 ZINC000347210099 457290351 /nfs/dbraw/zinc/29/03/51/457290351.db2.gz OSEFQQNDZHVLOG-UHFFFAOYSA-N 2 0 334.261 3.181 20 0 EGADRP Cc1cnn(-c2cc[nH+]cc2NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000347209606 457290600 /nfs/dbraw/zinc/29/06/00/457290600.db2.gz WLIXWERPSMEPRE-UHFFFAOYSA-N 2 0 348.454 3.047 20 0 EGADRP Cc1nc2ccccn2c1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000352009221 457329348 /nfs/dbraw/zinc/32/93/48/457329348.db2.gz TYSIKQKSBQUGPU-GOSISDBHSA-N 2 0 332.451 3.280 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CCC[C@H]2[NH3+])c1 ZINC000340114888 457336524 /nfs/dbraw/zinc/33/65/24/457336524.db2.gz CAGGFQAWLMXWMX-WOJBJXKFSA-N 2 0 345.531 3.442 20 0 EGADRP Cc1cccc(NCC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000357227907 457385297 /nfs/dbraw/zinc/38/52/97/457385297.db2.gz GWZLATFYYZHGQG-QUCCMNQESA-N 2 0 338.499 3.302 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(C)(C)CC3)cc2)CC1 ZINC000360865676 457392567 /nfs/dbraw/zinc/39/25/67/457392567.db2.gz QRLZCBUUAVUYOK-UHFFFAOYSA-N 2 0 329.532 3.492 20 0 EGADRP C[C@H](CCSc1ccccc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363754524 457443724 /nfs/dbraw/zinc/44/37/24/457443724.db2.gz VTZNBBHURMPMHP-MOPGFXCFSA-N 2 0 347.572 3.269 20 0 EGADRP Cn1cc(C[N@H+](CCC[NH3+])CC2CCCC2)c(-c2ccccc2)n1 ZINC000352539746 457451662 /nfs/dbraw/zinc/45/16/62/457451662.db2.gz CIQYJIGFVNBMFG-UHFFFAOYSA-N 2 0 326.488 3.428 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000425232694 457466721 /nfs/dbraw/zinc/46/67/21/457466721.db2.gz FPICVQIGZVAZJE-PXNSSMCTSA-N 2 0 345.531 3.086 20 0 EGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)C[NH2+]C2 ZINC000347508153 457473778 /nfs/dbraw/zinc/47/37/78/457473778.db2.gz AJJFNYMLPJFWNL-UHFFFAOYSA-N 2 0 349.478 3.206 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)cc2)CC1 ZINC000342737648 457488217 /nfs/dbraw/zinc/48/82/17/457488217.db2.gz NJUVALYIVZJASR-QFBILLFUSA-N 2 0 329.488 3.245 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370044712 457514981 /nfs/dbraw/zinc/51/49/81/457514981.db2.gz GYZPGZZJTNTBGA-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCN1Cc1ccccc1 ZINC000357434652 457523999 /nfs/dbraw/zinc/52/39/99/457523999.db2.gz CDUNECJHFBXSLS-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP COC(=O)[C@H](CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422887 457547525 /nfs/dbraw/zinc/54/75/25/457547525.db2.gz SUVXTEOMZXYBHU-WOJBJXKFSA-N 2 0 344.499 3.284 20 0 EGADRP c1cn(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000370360733 457629764 /nfs/dbraw/zinc/62/97/64/457629764.db2.gz ZXRDHVKTTBHURT-OAQYLSRUSA-N 2 0 338.499 3.261 20 0 EGADRP COCC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000425937040 457655878 /nfs/dbraw/zinc/65/58/78/457655878.db2.gz PJFGVSHWACTIKN-PKOBYXMFSA-N 2 0 338.536 3.062 20 0 EGADRP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000361232260 457658803 /nfs/dbraw/zinc/65/88/03/457658803.db2.gz XWJFZFRNAUQUAY-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000370624513 457684418 /nfs/dbraw/zinc/68/44/18/457684418.db2.gz MAHBZKFQWBBENK-OLZOCXBDSA-N 2 0 327.925 3.221 20 0 EGADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000370631062 457686349 /nfs/dbraw/zinc/68/63/49/457686349.db2.gz ZVFSZLMQQVRINL-NHCUHLMSSA-N 2 0 329.532 3.248 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000357789900 457690511 /nfs/dbraw/zinc/69/05/11/457690511.db2.gz FSCUZIZFNLOBPK-QWFCFKBJSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000370653447 457691765 /nfs/dbraw/zinc/69/17/65/457691765.db2.gz LZIFVBNBSTZBBA-UYAOXDASSA-N 2 0 326.488 3.373 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000357829867 457703376 /nfs/dbraw/zinc/70/33/76/457703376.db2.gz OSFNPCGEMSUCLD-SFHVURJKSA-N 2 0 345.531 3.408 20 0 EGADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000358021160 457741965 /nfs/dbraw/zinc/74/19/65/457741965.db2.gz MKDVONUTLXCQCW-OXQOHEQNSA-N 2 0 326.488 3.043 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000361473368 457743173 /nfs/dbraw/zinc/74/31/73/457743173.db2.gz APVWVOBKEPTCRC-KURKYZTESA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)Sc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000358059672 457759647 /nfs/dbraw/zinc/75/96/47/457759647.db2.gz IVTNEUYLYISPPK-UHFFFAOYSA-N 2 0 335.561 3.256 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cc2ccccc2s1 ZINC000433145353 457764386 /nfs/dbraw/zinc/76/43/86/457764386.db2.gz PZDUBWGHFJUISR-CQSZACIVSA-N 2 0 345.512 3.282 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000361523984 457769689 /nfs/dbraw/zinc/76/96/89/457769689.db2.gz IBIZMOTXKRAFAJ-AZUAARDMSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587205 457784892 /nfs/dbraw/zinc/78/48/92/457784892.db2.gz DGFLMJTZPQQNQL-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000443600113 457786110 /nfs/dbraw/zinc/78/61/10/457786110.db2.gz LDDQHOMTRJOAQC-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP Cn1cc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)cn1 ZINC000411273513 457846247 /nfs/dbraw/zinc/84/62/47/457846247.db2.gz OJAOPGBGDIMBNU-HXUWFJFHSA-N 2 0 338.499 3.396 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000375240496 457846626 /nfs/dbraw/zinc/84/66/26/457846626.db2.gz XJZJHSDLEPOENV-UHFFFAOYSA-N 2 0 335.923 3.190 20 0 EGADRP C[C@H](CCNc1cc(N2CCCC2)ncn1)[N@H+](C)Cc1ccccc1 ZINC000433771265 457881481 /nfs/dbraw/zinc/88/14/81/457881481.db2.gz OMQYTYVUQVGWGW-QGZVFWFLSA-N 2 0 339.487 3.399 20 0 EGADRP CN1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248935 457885456 /nfs/dbraw/zinc/88/54/56/457885456.db2.gz HUZRHYIDZBGLJY-CVEARBPZSA-N 2 0 329.271 3.101 20 0 EGADRP Cc1cccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426771552 457898341 /nfs/dbraw/zinc/89/83/41/457898341.db2.gz DBWLCWXHLCOLAB-HDICACEKSA-N 2 0 331.504 3.101 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000358267978 457900386 /nfs/dbraw/zinc/90/03/86/457900386.db2.gz QZXFZMIXVVSTDX-ROUUACIJSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000361859527 457913439 /nfs/dbraw/zinc/91/34/39/457913439.db2.gz DWLJMFCVZCSDBH-SFHVURJKSA-N 2 0 347.503 3.350 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)[C@@H](C)C1 ZINC000361921721 457956096 /nfs/dbraw/zinc/95/60/96/457956096.db2.gz CMVBJBYEFPNKKQ-RBUKOAKNSA-N 2 0 340.552 3.046 20 0 EGADRP CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358379451 457965934 /nfs/dbraw/zinc/96/59/34/457965934.db2.gz FPQOEGRRIIGULK-HKUYNNGSSA-N 2 0 345.531 3.276 20 0 EGADRP CCOC1CC(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000375716712 458034298 /nfs/dbraw/zinc/03/42/98/458034298.db2.gz LPGXTIPTQNKEQS-NXMBOHNASA-N 2 0 338.536 3.013 20 0 EGADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)c1 ZINC000358521965 458054742 /nfs/dbraw/zinc/05/47/42/458054742.db2.gz ZAUOLQIFIOYQHG-UHFFFAOYSA-N 2 0 346.862 3.008 20 0 EGADRP Cc1cc(C)cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000371836144 458091413 /nfs/dbraw/zinc/09/14/13/458091413.db2.gz XMHHSUVSUVNXHV-UHFFFAOYSA-N 2 0 329.532 3.153 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000428217948 458098933 /nfs/dbraw/zinc/09/89/33/458098933.db2.gz VGAASUQYZGZOTI-BQJUDKOJSA-N 2 0 328.500 3.446 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412148986 458108003 /nfs/dbraw/zinc/10/80/03/458108003.db2.gz JHLBHKQWSKTXAZ-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412161930 458112235 /nfs/dbraw/zinc/11/22/35/458112235.db2.gz QIOBGMYCCFFSTJ-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP CSc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375903578 458116960 /nfs/dbraw/zinc/11/69/60/458116960.db2.gz IEHUFUOWRWDRLN-SFHVURJKSA-N 2 0 333.545 3.009 20 0 EGADRP C(CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)CC1CCOCC1 ZINC000369197005 458120438 /nfs/dbraw/zinc/12/04/38/458120438.db2.gz ZYBMYMYUAYRFEA-UHFFFAOYSA-N 2 0 338.536 3.018 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000435372889 458123173 /nfs/dbraw/zinc/12/31/73/458123173.db2.gz LIMLGLIDPJELBA-DYVFJYSZSA-N 2 0 346.906 3.371 20 0 EGADRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1OCC(F)(F)F ZINC000435374028 458124838 /nfs/dbraw/zinc/12/48/38/458124838.db2.gz PHUGCPNKRQZDEH-UHFFFAOYSA-N 2 0 334.382 3.053 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435377287 458126106 /nfs/dbraw/zinc/12/61/06/458126106.db2.gz ZWMNFSCFORBSOK-CXAGYDPISA-N 2 0 346.906 3.371 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)cs1 ZINC000435376941 458126926 /nfs/dbraw/zinc/12/69/26/458126926.db2.gz WKZHRQOUOAJDBX-CZUORRHYSA-N 2 0 331.485 3.200 20 0 EGADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435377881 458127878 /nfs/dbraw/zinc/12/78/78/458127878.db2.gz GEPQOCFRIMXJQY-HNNXBMFYSA-N 2 0 343.858 3.373 20 0 EGADRP C[C@@H](C[NH3+])N(C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435379316 458128958 /nfs/dbraw/zinc/12/89/58/458128958.db2.gz LZPNSRKYMVNEAW-ZDUSSCGKSA-N 2 0 331.847 3.371 20 0 EGADRP C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@H]1[NH3+] ZINC000435378826 458128970 /nfs/dbraw/zinc/12/89/70/458128970.db2.gz KDRPPIUIDOMYSL-OXJNMPFZSA-N 2 0 347.466 3.103 20 0 EGADRP Cc1cn2c(n1)[C@@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000358654357 458130918 /nfs/dbraw/zinc/13/09/18/458130918.db2.gz TYIVDDTZDARIFG-QGZVFWFLSA-N 3 0 330.520 3.456 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000435387432 458131819 /nfs/dbraw/zinc/13/18/19/458131819.db2.gz AFMLVCOBVPRZHM-QGZVFWFLSA-N 2 0 326.488 3.010 20 0 EGADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000435388039 458132361 /nfs/dbraw/zinc/13/23/61/458132361.db2.gz DOOBRFDOGXHQAW-INIZCTEOSA-N 2 0 336.439 3.221 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@H]21 ZINC000435384898 458132959 /nfs/dbraw/zinc/13/29/59/458132959.db2.gz OTAVXNWYKJAZHT-MISYRCLQSA-N 2 0 337.467 3.220 20 0 EGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000412229432 458135929 /nfs/dbraw/zinc/13/59/29/458135929.db2.gz JPVDSELUTPAJHY-ZWKOTPCHSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@@H]1C[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH2+]1 ZINC000358695350 458156293 /nfs/dbraw/zinc/15/62/93/458156293.db2.gz SPKIZLTVJYEFSR-AEFFLSMTSA-N 2 0 329.488 3.042 20 0 EGADRP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000458762206 458162732 /nfs/dbraw/zinc/16/27/32/458162732.db2.gz HYFNDMHPHARKNN-AEFFLSMTSA-N 2 0 348.535 3.097 20 0 EGADRP c1ncn(-c2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)n1 ZINC000358725812 458173590 /nfs/dbraw/zinc/17/35/90/458173590.db2.gz PKBJQEALDBYYFR-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP CN(CCN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435625411 458175931 /nfs/dbraw/zinc/17/59/31/458175931.db2.gz IAYHLHWPYRNYIH-NRFANRHFSA-N 2 0 338.499 3.162 20 0 EGADRP CCN(CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435626057 458176085 /nfs/dbraw/zinc/17/60/85/458176085.db2.gz NIPVQOWIAOPJAO-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP Cc1cccc(C)c1CN(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692806 458185165 /nfs/dbraw/zinc/18/51/65/458185165.db2.gz KHDCYAQOVAFPBG-LJQANCHMSA-N 2 0 338.499 3.181 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCCCC2)CC1)CC(C)C ZINC000358745546 458187585 /nfs/dbraw/zinc/18/75/85/458187585.db2.gz OZIHFYNXNNSCHC-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP COC[C@@H]1CCCC[NH+](CCCC[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000372109740 458197242 /nfs/dbraw/zinc/19/72/42/458197242.db2.gz VNKLUQKPJNQBMI-BGYRXZFFSA-N 2 0 340.552 3.264 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cc2)CC1 ZINC000435892939 458219565 /nfs/dbraw/zinc/21/95/65/458219565.db2.gz MXLSJNXTILLRMK-WIYYLYMNSA-N 2 0 341.499 3.247 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(F)cc(Cl)c2)C[C@@H](C)O1 ZINC000362504595 458225597 /nfs/dbraw/zinc/22/55/97/458225597.db2.gz JGQBCHYMIYLICA-ZIAGYGMSSA-N 2 0 328.859 3.458 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c(F)c1 ZINC000412561994 458233378 /nfs/dbraw/zinc/23/33/78/458233378.db2.gz VMAZFRAWOGAQNB-SFHVURJKSA-N 2 0 333.451 3.233 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000428978631 458246189 /nfs/dbraw/zinc/24/61/89/458246189.db2.gz KRULSVWMWSHQBU-VQIMIIECSA-N 2 0 331.504 3.036 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000362551942 458264106 /nfs/dbraw/zinc/26/41/06/458264106.db2.gz KBONVBOZFWHEQM-GJYPPUQNSA-N 2 0 329.488 3.055 20 0 EGADRP CCOC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000436278570 458280520 /nfs/dbraw/zinc/28/05/20/458280520.db2.gz AVUZHOMQBZFOGT-FAFZWHIHSA-N 2 0 336.520 3.495 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000436403416 458300186 /nfs/dbraw/zinc/30/01/86/458300186.db2.gz APENXWOYWQHFGJ-MJGOQNOKSA-N 2 0 339.483 3.481 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447541870 458307718 /nfs/dbraw/zinc/30/77/18/458307718.db2.gz NYVBPCMBRVABJK-LEWJYISDSA-N 2 0 329.532 3.488 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000447564498 458313003 /nfs/dbraw/zinc/31/30/03/458313003.db2.gz XGIHLAYSNBKYHE-LSTHTHJFSA-N 2 0 343.515 3.048 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000447602626 458320940 /nfs/dbraw/zinc/32/09/40/458320940.db2.gz TVTQOZONADRRFW-HXUWFJFHSA-N 2 0 348.437 3.416 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000429392146 458327897 /nfs/dbraw/zinc/32/78/97/458327897.db2.gz DPCIKXOMQJXXAC-KRWDZBQOSA-N 2 0 331.504 3.038 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459320617 458328944 /nfs/dbraw/zinc/32/89/44/458328944.db2.gz FKYJRQWONOAAGX-UHFFFAOYSA-N 2 0 341.293 3.318 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]C2CC3(CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000448072184 458386789 /nfs/dbraw/zinc/38/67/89/458386789.db2.gz ZMMXGWMOFQAUEO-HXUWFJFHSA-N 2 0 327.516 3.288 20 0 EGADRP CC1CC[NH+](CCN2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000459490447 458389868 /nfs/dbraw/zinc/38/98/68/458389868.db2.gz YNTKTKYIWHOESG-UHFFFAOYSA-N 2 0 338.499 3.089 20 0 EGADRP CC[NH+](CC)CCSC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000430100584 458400863 /nfs/dbraw/zinc/40/08/63/458400863.db2.gz VMAMPSRYBBYQBG-IBGZPJMESA-N 2 0 336.545 3.353 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000423495626 458443412 /nfs/dbraw/zinc/44/34/12/458443412.db2.gz CEPRLONVEGGYOB-OAQYLSRUSA-N 2 0 338.499 3.116 20 0 EGADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000423494594 458443464 /nfs/dbraw/zinc/44/34/64/458443464.db2.gz AZOKUKXRLVASRJ-HNAYVOBHSA-N 2 0 346.496 3.221 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423537685 458455108 /nfs/dbraw/zinc/45/51/08/458455108.db2.gz KONNNVWXRWSELL-HNNXBMFYSA-N 2 0 330.476 3.177 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423547029 458455610 /nfs/dbraw/zinc/45/56/10/458455610.db2.gz ZZPMJMPVHDMADS-LBPRGKRZSA-N 2 0 341.268 3.419 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423547028 458455947 /nfs/dbraw/zinc/45/59/47/458455947.db2.gz ZZPMJMPVHDMADS-GFCCVEGCSA-N 2 0 341.268 3.419 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000423720213 458475857 /nfs/dbraw/zinc/47/58/57/458475857.db2.gz AJWLETJZXGNYTQ-CYJAXWMASA-N 2 0 329.488 3.184 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423730360 458476217 /nfs/dbraw/zinc/47/62/17/458476217.db2.gz POCJRLQBVRNTPH-KURKYZTESA-N 2 0 335.536 3.150 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000423737266 458477322 /nfs/dbraw/zinc/47/73/22/458477322.db2.gz AAEFPKXRGZIOHP-HNNXBMFYSA-N 2 0 343.446 3.049 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000423834262 458493883 /nfs/dbraw/zinc/49/38/83/458493883.db2.gz CIZIUXBKZJMBIK-LJQANCHMSA-N 2 0 343.515 3.289 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000430845269 458498232 /nfs/dbraw/zinc/49/82/32/458498232.db2.gz BWGCFCFGGSBWPP-VAMGGRTRSA-N 2 0 343.515 3.237 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000437848323 458501896 /nfs/dbraw/zinc/50/18/96/458501896.db2.gz TUSBPRKIMFZDAW-SFNKJDCFSA-N 2 0 335.536 3.161 20 0 EGADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430924226 458505907 /nfs/dbraw/zinc/50/59/07/458505907.db2.gz IJJVMYAMACEOPR-QGZVFWFLSA-N 2 0 337.467 3.224 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000437878891 458506484 /nfs/dbraw/zinc/50/64/84/458506484.db2.gz RGNYTRQTSVMUCW-VQTJNVASSA-N 2 0 347.547 3.307 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430943722 458509104 /nfs/dbraw/zinc/50/91/04/458509104.db2.gz QBMIKYRGZBFYQU-OXJNMPFZSA-N 2 0 337.467 3.426 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909737 458511144 /nfs/dbraw/zinc/51/11/44/458511144.db2.gz UJPVBLYBXJLBLU-SBHAEUEKSA-N 2 0 343.515 3.017 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000460391382 458515565 /nfs/dbraw/zinc/51/55/65/458515565.db2.gz YEMDHBZJQWXKAY-IBGZPJMESA-N 2 0 326.525 3.364 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000431056728 458522050 /nfs/dbraw/zinc/52/20/50/458522050.db2.gz FHJOWQVQEBFLNY-RBUKOAKNSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423968791 458524489 /nfs/dbraw/zinc/52/44/89/458524489.db2.gz KRFMEAGJYKHFRH-PXNSSMCTSA-N 2 0 339.483 3.103 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000468559591 458526627 /nfs/dbraw/zinc/52/66/27/458526627.db2.gz JGMGRZUACVJYMB-VQTJNVASSA-N 2 0 330.516 3.456 20 0 EGADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087180 458527691 /nfs/dbraw/zinc/52/76/91/458527691.db2.gz PLQHITQFUWOXBE-INIZCTEOSA-N 2 0 330.476 3.415 20 0 EGADRP Cc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000468744345 458532999 /nfs/dbraw/zinc/53/29/99/458532999.db2.gz QPJHGHPHHVAWGT-OAHLLOKOSA-N 2 0 347.890 3.398 20 0 EGADRP CC(C)c1ccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000468862386 458540276 /nfs/dbraw/zinc/54/02/76/458540276.db2.gz FVJDEGAYMNGTOK-UHFFFAOYSA-N 2 0 330.516 3.397 20 0 EGADRP CCCC[C@H](CC)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424041742 458543899 /nfs/dbraw/zinc/54/38/99/458543899.db2.gz UNNQQCRTNPCQTI-IBGZPJMESA-N 2 0 345.531 3.313 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000438198408 458548578 /nfs/dbraw/zinc/54/85/78/458548578.db2.gz JPFNJOZVINYDQN-DRPJVOAASA-N 2 0 334.426 3.075 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)CC1CCCCC1 ZINC000424126290 458565876 /nfs/dbraw/zinc/56/58/76/458565876.db2.gz BHBGISDRJUCCCF-OALUTQOASA-N 2 0 335.536 3.151 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424169783 458576532 /nfs/dbraw/zinc/57/65/32/458576532.db2.gz HJFUHNIKMKWFHW-GBESFXJTSA-N 2 0 335.536 3.007 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000431558929 458589413 /nfs/dbraw/zinc/58/94/13/458589413.db2.gz UGUYMLNQFKRBSY-WOJBJXKFSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000438555726 458598369 /nfs/dbraw/zinc/59/83/69/458598369.db2.gz RMOUWZRERYCFLD-WOJBJXKFSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1)[NH+](CC)CC ZINC000469986933 458604899 /nfs/dbraw/zinc/60/48/99/458604899.db2.gz HYGAPYCZHPCKBW-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP C[NH2+]CC1CC[NH+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000470021577 458608331 /nfs/dbraw/zinc/60/83/31/458608331.db2.gz YUIMMLXQDFDAJG-CYBMUJFWSA-N 2 0 325.294 3.484 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1sccc1Br)CC[NH2+]CC2 ZINC000424299008 458608513 /nfs/dbraw/zinc/60/85/13/458608513.db2.gz VIRHKKWIXRCEDK-NSHDSACASA-N 2 0 329.307 3.475 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(Cl)c1 ZINC000424316990 458613499 /nfs/dbraw/zinc/61/34/99/458613499.db2.gz QSMFCKQUHYIZND-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431741866 458615111 /nfs/dbraw/zinc/61/51/11/458615111.db2.gz SGZZMUKZYBHCEG-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000424369366 458626010 /nfs/dbraw/zinc/62/60/10/458626010.db2.gz BHKQQTITBBCBHG-INIZCTEOSA-N 2 0 332.488 3.446 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000424432126 458643500 /nfs/dbraw/zinc/64/35/00/458643500.db2.gz BKDJWVRWYGMAHJ-IRXDYDNUSA-N 2 0 346.519 3.333 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502798246 458670331 /nfs/dbraw/zinc/67/03/31/458670331.db2.gz ZQPIZLFGIVMNJE-SJORKVTESA-N 2 0 348.535 3.145 20 0 EGADRP CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000494635242 458715419 /nfs/dbraw/zinc/71/54/19/458715419.db2.gz FVFQCNZTWYIZNF-YZGWKJHDSA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547430667 458739124 /nfs/dbraw/zinc/73/91/24/458739124.db2.gz GGAYKSNTHXQIPL-UHFFFAOYSA-N 2 0 345.531 3.231 20 0 EGADRP CCCc1noc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852371 458742925 /nfs/dbraw/zinc/74/29/25/458742925.db2.gz VSQUNAUADVGBIF-ROUUACIJSA-N 2 0 342.487 3.194 20 0 EGADRP Cn1cncc1CC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000530355018 458752904 /nfs/dbraw/zinc/75/29/04/458752904.db2.gz ULKXWHXSEHYLFD-FQEVSTJZSA-N 2 0 332.407 3.483 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000472092419 458767094 /nfs/dbraw/zinc/76/70/94/458767094.db2.gz BYOAFNCNSMGBIM-ZWKOTPCHSA-N 2 0 340.556 3.013 20 0 EGADRP COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354064 458859757 /nfs/dbraw/zinc/85/97/57/458859757.db2.gz ZABRWUZJBBUAQQ-SWLSCSKDSA-N 2 0 326.868 3.129 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)cc1 ZINC000457104774 458868214 /nfs/dbraw/zinc/86/82/14/458868214.db2.gz BTUSNCCHRWAPGC-HXUWFJFHSA-N 2 0 345.531 3.473 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000518984751 458906131 /nfs/dbraw/zinc/90/61/31/458906131.db2.gz GAYJSQUGAAXAJU-QGZVFWFLSA-N 2 0 344.503 3.166 20 0 EGADRP CCOC(=O)N1CCC([NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000495736037 458934962 /nfs/dbraw/zinc/93/49/62/458934962.db2.gz ZPZGGVRYWHNLQD-OALUTQOASA-N 2 0 345.487 3.032 20 0 EGADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000475339882 458936629 /nfs/dbraw/zinc/93/66/29/458936629.db2.gz WHYHBVSXGXXVTI-CWJKEVGVSA-N 2 0 329.532 3.217 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000519394355 458943264 /nfs/dbraw/zinc/94/32/64/458943264.db2.gz GAUHMKXXGDKQDR-IAGOWNOFSA-N 2 0 331.504 3.154 20 0 EGADRP Cc1cnccc1CC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000566617401 458970591 /nfs/dbraw/zinc/97/05/91/458970591.db2.gz NYCFTBQGLZXDFM-CYBMUJFWSA-N 2 0 326.375 3.472 20 0 EGADRP CC[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000495864474 458983794 /nfs/dbraw/zinc/98/37/94/458983794.db2.gz IBHGGYZFNPZWDP-OAHLLOKOSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000495885852 458992761 /nfs/dbraw/zinc/99/27/61/458992761.db2.gz NXCKKVOBMHOZBQ-OWCLPIDISA-N 2 0 331.460 3.024 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324064 459014517 /nfs/dbraw/zinc/01/45/17/459014517.db2.gz HNBRVHAZRDMTAN-HZPDHXFCSA-N 2 0 330.501 3.361 20 0 EGADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000442810578 459040486 /nfs/dbraw/zinc/04/04/86/459040486.db2.gz MRIGONYSZPOZEI-TXVWBRJLSA-N 2 0 328.500 3.444 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000557041033 459045232 /nfs/dbraw/zinc/04/52/32/459045232.db2.gz QVWRMCAELDAEHX-QGZVFWFLSA-N 2 0 346.862 3.223 20 0 EGADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496124988 459076322 /nfs/dbraw/zinc/07/63/22/459076322.db2.gz QUONLAKZLVNOMK-HOTGVXAUSA-N 2 0 339.524 3.286 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000443064690 459081771 /nfs/dbraw/zinc/08/17/71/459081771.db2.gz YQIMNKGVUATRQY-KRWDZBQOSA-N 2 0 329.513 3.489 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000532492511 459098158 /nfs/dbraw/zinc/09/81/58/459098158.db2.gz FYWWKRVJGSTEDX-GJZGRUSLSA-N 2 0 339.911 3.007 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNc1nc(C2CC2)nc2c1CCC2)c1ccco1 ZINC000557695511 459101404 /nfs/dbraw/zinc/10/14/04/459101404.db2.gz LVQAWAGAPOEVNH-GUYCJALGSA-N 2 0 340.471 3.399 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCN1C ZINC000496242272 459121795 /nfs/dbraw/zinc/12/17/95/459121795.db2.gz FKFMWCKRLVQSKY-KURKYZTESA-N 2 0 345.487 3.112 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCN1C ZINC000496242269 459121833 /nfs/dbraw/zinc/12/18/33/459121833.db2.gz FKFMWCKRLVQSKY-FGTMMUONSA-N 2 0 345.487 3.112 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000577963866 459124355 /nfs/dbraw/zinc/12/43/55/459124355.db2.gz QWCBRBRDTBQRIS-AOIWGVFYSA-N 2 0 331.504 3.082 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000578412134 459196108 /nfs/dbraw/zinc/19/61/08/459196108.db2.gz JVHVHGGWJIRDTB-NWDGAFQWSA-N 2 0 337.265 3.336 20 0 EGADRP Cc1ncc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000568269776 459261053 /nfs/dbraw/zinc/26/10/53/459261053.db2.gz XHTKQISHTXRMHT-VQIMIIECSA-N 2 0 326.488 3.119 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH]c3nccnc23)C[N@@H+]1Cc1ccccc1 ZINC000568337491 459268665 /nfs/dbraw/zinc/26/86/65/459268665.db2.gz MNRSXOJRZAVGFF-SJLPKXTDSA-N 2 0 349.482 3.300 20 0 EGADRP Cc1ccc(SCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C ZINC000559985726 459290099 /nfs/dbraw/zinc/29/00/99/459290099.db2.gz CKHGYUWYBCZPOA-UHFFFAOYSA-N 2 0 348.556 3.440 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000482132107 459291524 /nfs/dbraw/zinc/29/15/24/459291524.db2.gz ZBGPDFCWLWUXSK-KXBFYZLASA-N 2 0 340.458 3.234 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496721280 459300032 /nfs/dbraw/zinc/30/00/32/459300032.db2.gz PEUUMRWGADTUJA-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000496734269 459304846 /nfs/dbraw/zinc/30/48/46/459304846.db2.gz MLIBPTCIQCSYNE-UHFFFAOYSA-N 2 0 327.513 3.048 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN1CCCO)CCC2 ZINC000568628231 459319399 /nfs/dbraw/zinc/31/93/99/459319399.db2.gz PDLRMUCJERAEQJ-VQIMIIECSA-N 2 0 334.529 3.222 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCCC1 ZINC000591132875 459319889 /nfs/dbraw/zinc/31/98/89/459319889.db2.gz BXDFKNGTRKGYRW-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CCCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496787826 459324167 /nfs/dbraw/zinc/32/41/67/459324167.db2.gz WFNBEYPGXZRTDL-INIZCTEOSA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[NH+]1CCCCC1 ZINC000591158777 459325379 /nfs/dbraw/zinc/32/53/79/459325379.db2.gz HUFDGWZRQXQMPR-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000482886585 459330173 /nfs/dbraw/zinc/33/01/73/459330173.db2.gz IXFQIAOKGIWFFP-SFTDATJTSA-N 2 0 332.532 3.389 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496807378 459331890 /nfs/dbraw/zinc/33/18/90/459331890.db2.gz CLILHMXRJAZZFL-OAHLLOKOSA-N 2 0 342.443 3.231 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826281 459338046 /nfs/dbraw/zinc/33/80/46/459338046.db2.gz FHNTVCUUTXCIAY-IBGZPJMESA-N 2 0 339.524 3.050 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483179168 459348932 /nfs/dbraw/zinc/34/89/32/459348932.db2.gz HWYJTWCPRQUWST-BLLLJJGKSA-N 2 0 343.284 3.451 20 0 EGADRP Cc1ccc2[nH]c(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1C ZINC000582352992 459350919 /nfs/dbraw/zinc/35/09/19/459350919.db2.gz IWLJWCHPFMSRIX-UHFFFAOYSA-N 2 0 344.547 3.490 20 0 EGADRP C[NH+](C)Cc1ccccc1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000568846241 459353811 /nfs/dbraw/zinc/35/38/11/459353811.db2.gz NIBJWQDHJSWZAC-LJQANCHMSA-N 2 0 325.456 3.380 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497121157 459448929 /nfs/dbraw/zinc/44/89/29/459448929.db2.gz WJMDGWMZICUPKC-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP O=C1CCCN1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000569591493 459477760 /nfs/dbraw/zinc/47/77/60/459477760.db2.gz BZNKLORYOYUUPV-ICSRJNTNSA-N 2 0 347.547 3.307 20 0 EGADRP O=C1CCCN1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000569591494 459478177 /nfs/dbraw/zinc/47/81/77/459478177.db2.gz BZNKLORYOYUUPV-QUCCMNQESA-N 2 0 347.547 3.307 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000486248898 459494788 /nfs/dbraw/zinc/49/47/88/459494788.db2.gz HNQARBGQWCUCEK-JENIJYKNSA-N 2 0 345.531 3.210 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000569795430 459511209 /nfs/dbraw/zinc/51/12/09/459511209.db2.gz TYUDRGIFVTYIDW-MJGOQNOKSA-N 2 0 344.503 3.052 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569961347 459538696 /nfs/dbraw/zinc/53/86/96/459538696.db2.gz MIIREQYQBZGAAG-RTWAWAEBSA-N 2 0 348.531 3.054 20 0 EGADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000592491625 459613119 /nfs/dbraw/zinc/61/31/19/459613119.db2.gz BIWJNFKFJFQHAU-LSDHHAIUSA-N 2 0 336.501 3.055 20 0 EGADRP COc1ccc(-c2nc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000562837648 459657980 /nfs/dbraw/zinc/65/79/80/459657980.db2.gz ULNQRYADGPVNAL-APWZRJJASA-N 2 0 341.455 3.314 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000562986232 459686180 /nfs/dbraw/zinc/68/61/80/459686180.db2.gz POBCBCVKUKYZGG-NRFANRHFSA-N 2 0 326.484 3.206 20 0 EGADRP COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000596639262 459709503 /nfs/dbraw/zinc/70/95/03/459709503.db2.gz ORIDZPUATGSUBO-UONOGXRCSA-N 2 0 326.387 3.013 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc3cc(C)ccc3o2)CC[NH2+]CC1 ZINC000596649061 459713778 /nfs/dbraw/zinc/71/37/78/459713778.db2.gz AOZCYOPOBUANHW-OAHLLOKOSA-N 2 0 344.455 3.152 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000501778870 459744349 /nfs/dbraw/zinc/74/43/49/459744349.db2.gz WPPBXOIDEZYOTQ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP COc1cc(F)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000563252476 459747709 /nfs/dbraw/zinc/74/77/09/459747709.db2.gz FVBQGURKPKJDQL-UHFFFAOYSA-N 2 0 338.467 3.397 20 0 EGADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000502021574 459755824 /nfs/dbraw/zinc/75/58/24/459755824.db2.gz XAMWXHGVQSUQHW-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000573931349 459759521 /nfs/dbraw/zinc/75/95/21/459759521.db2.gz SBIDXLAXDHPFOW-DZGCQCFKSA-N 2 0 341.455 3.032 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@H]1CC12CC2 ZINC000527858460 459760810 /nfs/dbraw/zinc/76/08/10/459760810.db2.gz KMRJPSQJKZHVOL-HDMKZQKVSA-N 2 0 331.479 3.417 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)CCC2)c1 ZINC000574050184 459773533 /nfs/dbraw/zinc/77/35/33/459773533.db2.gz CXVVJWVQQFDZRS-AEFFLSMTSA-N 2 0 332.488 3.194 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)CCC2)c1 ZINC000574050186 459773846 /nfs/dbraw/zinc/77/38/46/459773846.db2.gz CXVVJWVQQFDZRS-SJLPKXTDSA-N 2 0 332.488 3.194 20 0 EGADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+]1CC(C)C1 ZINC000574289732 459803675 /nfs/dbraw/zinc/80/36/75/459803675.db2.gz IXINPCGNMHANKA-GOSISDBHSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160761 459804978 /nfs/dbraw/zinc/80/49/78/459804978.db2.gz BAJAGXKTGYGNLD-XPTSAGLGSA-N 2 0 337.678 3.364 20 0 EGADRP COC(=O)c1ccc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000597068253 459829633 /nfs/dbraw/zinc/82/96/33/459829633.db2.gz VVFWAEISJCVUOM-INIZCTEOSA-N 2 0 336.451 3.070 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)c2ccccc21 ZINC000593324748 459843027 /nfs/dbraw/zinc/84/30/27/459843027.db2.gz ZJVRMLWNINYSSE-MOPGFXCFSA-N 2 0 330.472 3.148 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)o1 ZINC000621729929 460034978 /nfs/dbraw/zinc/03/49/78/460034978.db2.gz IMMPXYNQQSJGRT-UHFFFAOYSA-N 2 0 335.492 3.068 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1C ZINC000598972109 460109918 /nfs/dbraw/zinc/10/99/18/460109918.db2.gz CKHKWNQETAWQHF-UHFFFAOYSA-N 2 0 335.492 3.020 20 0 EGADRP COC(=O)CC1CCC([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000599025155 460131499 /nfs/dbraw/zinc/13/14/99/460131499.db2.gz LFEPQBFENZTQGS-LPOKXYRGSA-N 2 0 338.536 3.456 20 0 EGADRP COC(=O)CC1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000599046967 460139365 /nfs/dbraw/zinc/13/93/65/460139365.db2.gz UXAUZJOEWNGETL-SYYJFZTOSA-N 2 0 344.499 3.220 20 0 EGADRP CC[NH+](CC)CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505077 460154876 /nfs/dbraw/zinc/15/48/76/460154876.db2.gz GEYYPVRUALUIKV-SFTDATJTSA-N 2 0 329.532 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000599100628 460161773 /nfs/dbraw/zinc/16/17/73/460161773.db2.gz LDPRYOKGTRCAGV-QGZVFWFLSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000622507909 460270058 /nfs/dbraw/zinc/27/00/58/460270058.db2.gz FNLZKJKJICKDIY-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000626062573 460358339 /nfs/dbraw/zinc/35/83/39/460358339.db2.gz XZAFFFDEUIZIBM-INIZCTEOSA-N 2 0 331.504 3.017 20 0 EGADRP c1cnc2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCC2 ZINC000631570674 460448865 /nfs/dbraw/zinc/44/88/65/460448865.db2.gz XJVAEXKYDQAHEB-OAQYLSRUSA-N 2 0 337.467 3.081 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631569612 460449121 /nfs/dbraw/zinc/44/91/21/460449121.db2.gz LNEWDLVRDOBUPT-ROUUACIJSA-N 2 0 342.531 3.105 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000634732851 460497900 /nfs/dbraw/zinc/49/79/00/460497900.db2.gz QGGJUNXXFVAQRY-AWEZNQCLSA-N 2 0 330.394 3.496 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387618 460746484 /nfs/dbraw/zinc/74/64/84/460746484.db2.gz IDAQNGSNSHSVTB-AWEZNQCLSA-N 2 0 331.287 3.412 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000623888701 460763634 /nfs/dbraw/zinc/76/36/34/460763634.db2.gz QMYFCYXDJKUFGH-CHWSQXEVSA-N 2 0 347.400 3.131 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000623897376 460766981 /nfs/dbraw/zinc/76/69/81/460766981.db2.gz LDBOLEKFXQISGA-QGZVFWFLSA-N 2 0 347.890 3.245 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000629545038 460803038 /nfs/dbraw/zinc/80/30/38/460803038.db2.gz ALSBYQMCZOWRGU-SXLOBPIMSA-N 2 0 331.504 3.374 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629656183 460850367 /nfs/dbraw/zinc/85/03/67/460850367.db2.gz MWTIXUCGJXGNGR-NFAWXSAZSA-N 2 0 328.378 3.012 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCCN3CC(F)F)CC2)C1 ZINC000624096334 460858883 /nfs/dbraw/zinc/85/88/83/460858883.db2.gz YYZUAQXZDVHXMK-KBAYOESNSA-N 2 0 343.506 3.349 20 0 EGADRP COc1cccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1OC ZINC000629693632 460867802 /nfs/dbraw/zinc/86/78/02/460867802.db2.gz KTWUSIHQZKAXCT-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624121191 460870879 /nfs/dbraw/zinc/87/08/79/460870879.db2.gz PTMLYGPTDNPEBA-CABCVRRESA-N 2 0 329.488 3.299 20 0 EGADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(N4CCCC4)nc3)cc2)CC1 ZINC000629708879 460880818 /nfs/dbraw/zinc/88/08/18/460880818.db2.gz CYVKSULAKBDIFX-UHFFFAOYSA-N 2 0 336.483 3.272 20 0 EGADRP C[NH+](C)CCc1ccc(-c2ccc([C@H]3[NH2+]CCc4nc[nH]c43)cc2)cc1 ZINC000629732695 460892684 /nfs/dbraw/zinc/89/26/84/460892684.db2.gz WOVXYJDFCIRRNP-OAQYLSRUSA-N 2 0 346.478 3.416 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)c2ccccc21 ZINC000624188018 460901976 /nfs/dbraw/zinc/90/19/76/460901976.db2.gz UGJJFBIXNBSPFT-HKUYNNGSSA-N 2 0 327.472 3.091 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCC1)c1ccccc1 ZINC000629958443 460975062 /nfs/dbraw/zinc/97/50/62/460975062.db2.gz AYJMNXZOBKNFTA-KRWDZBQOSA-N 2 0 343.515 3.251 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000630072729 461014653 /nfs/dbraw/zinc/01/46/53/461014653.db2.gz XHIWXNCUTJQAED-UHFFFAOYSA-N 2 0 327.516 3.173 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000628228375 461054565 /nfs/dbraw/zinc/05/45/65/461054565.db2.gz MIGZVQPONXYKJJ-UIFIKXQLSA-N 2 0 330.516 3.456 20 0 EGADRP C[C@@H]1CCC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)[C@@H]1CC[NH3+] ZINC000652354018 461151356 /nfs/dbraw/zinc/15/13/56/461151356.db2.gz KMGLHBMHXGFBOI-NSISKUIASA-N 2 0 343.515 3.020 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662291453 461167243 /nfs/dbraw/zinc/16/72/43/461167243.db2.gz SRPZMCSHQOCQHJ-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])on2)cc1 ZINC000662287109 461167709 /nfs/dbraw/zinc/16/77/09/461167709.db2.gz WBPYYPSNCQCIMV-LIRRHRJNSA-N 2 0 329.444 3.300 20 0 EGADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CCOCC1 ZINC000637978474 461170226 /nfs/dbraw/zinc/17/02/26/461170226.db2.gz PIECMSGZIBGSGE-CMKODMSKSA-N 2 0 338.536 3.014 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293922 461172492 /nfs/dbraw/zinc/17/24/92/461172492.db2.gz VFEDZOHZUHTVKP-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1CCC[NH3+] ZINC000662314034 461186433 /nfs/dbraw/zinc/18/64/33/461186433.db2.gz LQOITSDQCIUOLN-HCXYKTFWSA-N 2 0 335.536 3.007 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000662317672 461189557 /nfs/dbraw/zinc/18/95/57/461189557.db2.gz ZFDMMOOMSGIJGF-GGPKGHCWSA-N 2 0 332.488 3.019 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000662347599 461204592 /nfs/dbraw/zinc/20/45/92/461204592.db2.gz IDJCTJAJXHPBIP-LEWJYISDSA-N 2 0 349.478 3.174 20 0 EGADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000638050782 461214304 /nfs/dbraw/zinc/21/43/04/461214304.db2.gz RQIKYUOXKNZSTL-UKRRQHHQSA-N 2 0 338.521 3.077 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)C1 ZINC000655444020 461254005 /nfs/dbraw/zinc/25/40/05/461254005.db2.gz HCPHNCHZLFDLEV-OZOXKJRCSA-N 2 0 341.499 3.247 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc2c1C[NH2+]C2 ZINC000662509108 461275932 /nfs/dbraw/zinc/27/59/32/461275932.db2.gz AMSDCHXHEZKVIT-UHFFFAOYSA-N 2 0 335.451 3.180 20 0 EGADRP [NH3+]Cc1cc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc(C(F)(F)F)c1 ZINC000662558769 461296533 /nfs/dbraw/zinc/29/65/33/461296533.db2.gz KLQWHKVFAQPRPO-INIZCTEOSA-N 2 0 349.356 3.337 20 0 EGADRP CC(C)(O)C[NH+]1CCC(Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000638190965 461300247 /nfs/dbraw/zinc/30/02/47/461300247.db2.gz LXOAWVPXTZGQBX-UHFFFAOYSA-N 2 0 345.531 3.320 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000652713706 461326638 /nfs/dbraw/zinc/32/66/38/461326638.db2.gz VLTISMJXJZPNRP-CEXWTWQISA-N 2 0 345.531 3.228 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662674707 461344156 /nfs/dbraw/zinc/34/41/56/461344156.db2.gz FTRWLJXLSWTBOU-VQIMIIECSA-N 2 0 343.515 3.065 20 0 EGADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000633965722 461360666 /nfs/dbraw/zinc/36/06/66/461360666.db2.gz RBBMMSIWVRNMKP-LJQANCHMSA-N 2 0 347.547 3.260 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc4c3C[NH2+]C4)cc21 ZINC000662741226 461361604 /nfs/dbraw/zinc/36/16/04/461361604.db2.gz LHKCFQFGRRWIKU-UHFFFAOYSA-N 2 0 348.450 3.058 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@H]1CCOC1 ZINC000638363300 461389308 /nfs/dbraw/zinc/38/93/08/461389308.db2.gz LAYDEXDAFPNHIG-DZFGPLHGSA-N 2 0 346.515 3.060 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668740173 461409968 /nfs/dbraw/zinc/40/99/68/461409968.db2.gz QUDQKFSAOKBVKB-HKBOAZHASA-N 2 0 328.500 3.028 20 0 EGADRP [NH3+][C@@H](CCC(=O)NCC1CC[NH+](CC2CC2)CC1)CC1CCCCC1 ZINC000662972656 461418549 /nfs/dbraw/zinc/41/85/49/461418549.db2.gz QLGXEWQRMOPQLE-FQEVSTJZSA-N 2 0 349.563 3.303 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@]12CCCO2 ZINC000638435758 461427991 /nfs/dbraw/zinc/42/79/91/461427991.db2.gz XVLSYLHROZNGAC-NJDAHSKKSA-N 2 0 346.515 3.343 20 0 EGADRP CC[C@](C)(C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)OC ZINC000638454679 461436515 /nfs/dbraw/zinc/43/65/15/461436515.db2.gz ZWQTXZWOMZPRSA-HXUWFJFHSA-N 2 0 334.504 3.312 20 0 EGADRP CC(C)c1cnc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000630962280 461444557 /nfs/dbraw/zinc/44/45/57/461444557.db2.gz YCAJTPKBZIVAJJ-UHFFFAOYSA-N 2 0 331.489 3.025 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666088746 461450314 /nfs/dbraw/zinc/45/03/14/461450314.db2.gz QAIVXZIGSVCBQO-SJORKVTESA-N 2 0 336.907 3.024 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000638530698 461471223 /nfs/dbraw/zinc/47/12/23/461471223.db2.gz BQZUJGIXBMRMNV-LJQANCHMSA-N 2 0 334.479 3.492 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000655837290 461487291 /nfs/dbraw/zinc/48/72/91/461487291.db2.gz RXZAIOQRPOCMDA-DLBZAZTESA-N 2 0 327.472 3.304 20 0 EGADRP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638567916 461488775 /nfs/dbraw/zinc/48/87/75/461488775.db2.gz SQSHUWFTXFGYJQ-YCPHGPKFSA-N 2 0 337.508 3.122 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000647046847 461489482 /nfs/dbraw/zinc/48/94/82/461489482.db2.gz UGIKBQJKEATTGW-IYARVYRRSA-N 2 0 345.531 3.413 20 0 EGADRP Cc1[nH]c2c(cc(C)cc2C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1C ZINC000638566697 461489531 /nfs/dbraw/zinc/48/95/31/461489531.db2.gz NFNSOKPRIKUHNA-UHFFFAOYSA-N 2 0 343.515 3.418 20 0 EGADRP C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000655838003 461490392 /nfs/dbraw/zinc/49/03/92/461490392.db2.gz YSNWBBCRDKRIRF-IAGOWNOFSA-N 2 0 327.472 3.304 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849027 461495352 /nfs/dbraw/zinc/49/53/52/461495352.db2.gz OQZBUSVAKSYBAT-YYWHXJBOSA-N 2 0 345.531 3.295 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC000638594248 461498916 /nfs/dbraw/zinc/49/89/16/461498916.db2.gz DUNFZFKTQSFBNN-XLIONFOSSA-N 2 0 343.515 3.405 20 0 EGADRP COc1ccccc1N1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000631054711 461506241 /nfs/dbraw/zinc/50/62/41/461506241.db2.gz UVPYZTZALCCCEE-UHFFFAOYSA-N 2 0 343.515 3.271 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000659946048 461508271 /nfs/dbraw/zinc/50/82/71/461508271.db2.gz ZBDJUAJQEAFTLO-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957848 461515301 /nfs/dbraw/zinc/51/53/01/461515301.db2.gz YIYOYQBEUAOMRJ-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C ZINC000659983656 461528038 /nfs/dbraw/zinc/52/80/38/461528038.db2.gz RXHRTLHAVVTBIR-KURKYZTESA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659982452 461528245 /nfs/dbraw/zinc/52/82/45/461528245.db2.gz NHTDXVRWKDMMDD-MAUKXSAKSA-N 2 0 347.528 3.153 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1C ZINC000659983654 461528289 /nfs/dbraw/zinc/52/82/89/461528289.db2.gz RXHRTLHAVVTBIR-BZSNNMDCSA-N 2 0 337.552 3.076 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000631085208 461534565 /nfs/dbraw/zinc/53/45/65/461534565.db2.gz IBINPEFKNTWYIM-UHFFFAOYSA-N 2 0 331.504 3.493 20 0 EGADRP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663343733 461570899 /nfs/dbraw/zinc/57/08/99/461570899.db2.gz CTTVALLGWROLNT-INIZCTEOSA-N 2 0 347.469 3.115 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@H]3C[C@@H](C)N(Cc4ccccc4)C3)cn21 ZINC000647262716 461597044 /nfs/dbraw/zinc/59/70/44/461597044.db2.gz LWPWTTMHKXQWCJ-NQIIRXRSSA-N 2 0 348.494 3.438 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663373997 461600219 /nfs/dbraw/zinc/60/02/19/461600219.db2.gz AQOBFWQRCAZLGK-UHFFFAOYSA-N 2 0 347.478 3.174 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]C2CCC(F)(F)CC2)c2ccccc2)CC1 ZINC000647287604 461613011 /nfs/dbraw/zinc/61/30/11/461613011.db2.gz NEHZIOOWRLCFOK-GOSISDBHSA-N 2 0 337.458 3.143 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000647291324 461617034 /nfs/dbraw/zinc/61/70/34/461617034.db2.gz MMODLWPUICBMOZ-NRFANRHFSA-N 2 0 347.547 3.398 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@]12CCCO2 ZINC000638853135 461618532 /nfs/dbraw/zinc/61/85/32/461618532.db2.gz AEWPDEZMMLGWSK-PWRODBHTSA-N 2 0 346.515 3.343 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000656195696 461642739 /nfs/dbraw/zinc/64/27/39/461642739.db2.gz BVPDZXTWQDENLP-MCIONIFRSA-N 2 0 343.393 3.023 20 0 EGADRP c1ccc(COCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000660232116 461654484 /nfs/dbraw/zinc/65/44/84/461654484.db2.gz HZTAOQKNVVHTBU-UHFFFAOYSA-N 2 0 346.515 3.028 20 0 EGADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467966 461657642 /nfs/dbraw/zinc/65/76/42/461657642.db2.gz IZPZBRHBMKZKLJ-MJGOQNOKSA-N 2 0 343.515 3.140 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663472195 461661742 /nfs/dbraw/zinc/66/17/42/461661742.db2.gz ZKJLNARUFNQDGR-PKOBYXMFSA-N 2 0 346.515 3.484 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000637809468 461727493 /nfs/dbraw/zinc/72/74/93/461727493.db2.gz YZDXDLLDJVESJW-LJQANCHMSA-N 2 0 337.467 3.257 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455510 461732912 /nfs/dbraw/zinc/73/29/12/461732912.db2.gz NTBZRZYKSIROQN-QRTARXTBSA-N 2 0 341.421 3.391 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1[NH3+] ZINC000647498318 461736638 /nfs/dbraw/zinc/73/66/38/461736638.db2.gz FDOWXRFETBYTEJ-YLJYHZDGSA-N 2 0 325.456 3.220 20 0 EGADRP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000639118752 461738590 /nfs/dbraw/zinc/73/85/90/461738590.db2.gz QNUZPCDYKKQGRO-XLIONFOSSA-N 2 0 339.483 3.133 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000666664795 461746953 /nfs/dbraw/zinc/74/69/53/461746953.db2.gz MSFJBSUMXJLFRN-NVXWUHKLSA-N 2 0 345.491 3.053 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643522757 461751534 /nfs/dbraw/zinc/75/15/34/461751534.db2.gz CQCDEMDHSRSNAM-ANULTFPQSA-N 2 0 327.516 3.161 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1C ZINC000643523437 461752488 /nfs/dbraw/zinc/75/24/88/461752488.db2.gz HIXKHFHZFLOUHI-HNNXBMFYSA-N 2 0 337.467 3.414 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1-c1ccccc1 ZINC000647543175 461757046 /nfs/dbraw/zinc/75/70/46/461757046.db2.gz IPSGUDOMTBFIJK-RBUKOAKNSA-N 2 0 338.499 3.392 20 0 EGADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543157 461757107 /nfs/dbraw/zinc/75/71/07/461757107.db2.gz IIPIQZFNMXVJAJ-PMACEKPBSA-N 2 0 338.499 3.143 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546150 461759715 /nfs/dbraw/zinc/75/97/15/461759715.db2.gz JQPAKSMPXGQJNY-HOJAQTOUSA-N 2 0 327.516 3.161 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547833 461760464 /nfs/dbraw/zinc/76/04/64/461760464.db2.gz JOPJVHOEGNHNDG-NCYKPQTJSA-N 2 0 339.527 3.446 20 0 EGADRP c1sc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1-c1ccncc1 ZINC000647550528 461762619 /nfs/dbraw/zinc/76/26/19/461762619.db2.gz WJEHVCCRBOPMAD-GVDBMIGSSA-N 2 0 342.512 3.115 20 0 EGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC[NH+](C)CC1 ZINC000653617229 461763704 /nfs/dbraw/zinc/76/37/04/461763704.db2.gz MZZAHPYOWFXAJD-KUHUBIRLSA-N 2 0 344.503 3.087 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](N4CCOCC4)CC3)cc2c1 ZINC000660472229 461798356 /nfs/dbraw/zinc/79/83/56/461798356.db2.gz CHQWETXSKRTRHO-FQEVSTJZSA-N 2 0 339.483 3.230 20 0 EGADRP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647785544 461833064 /nfs/dbraw/zinc/83/30/64/461833064.db2.gz AQWDUVQWAFPVRK-YESZJQIVSA-N 2 0 327.497 3.330 20 0 EGADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647784421 461833251 /nfs/dbraw/zinc/83/32/51/461833251.db2.gz TUXMACQEMFSZKV-UMVBOHGHSA-N 2 0 341.268 3.108 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789673 461835530 /nfs/dbraw/zinc/83/55/30/461835530.db2.gz JCOAENOCAPNRRW-PTSWQDPMSA-N 3 0 341.543 3.121 20 0 EGADRP Clc1cccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)c1 ZINC000647788986 461835638 /nfs/dbraw/zinc/83/56/38/461835638.db2.gz WKUXINRPUVLIEY-BWPNAZKDSA-N 2 0 347.934 3.455 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(OC)c1 ZINC000647789135 461835769 /nfs/dbraw/zinc/83/57/69/461835769.db2.gz ZDKPRZKVIXWXLC-RCLSDMTESA-N 2 0 345.531 3.056 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000647790002 461836984 /nfs/dbraw/zinc/83/69/84/461836984.db2.gz PFFMRMXURVHVFC-GSEOLPGOSA-N 2 0 344.499 3.031 20 0 EGADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000647790022 461837103 /nfs/dbraw/zinc/83/71/03/461837103.db2.gz QAGRVEDBSSGOJT-KZNAEPCWSA-N 2 0 325.456 3.170 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855397 461837721 /nfs/dbraw/zinc/83/77/21/461837721.db2.gz PSTDZVALBIXYMY-IBGZPJMESA-N 2 0 326.488 3.088 20 0 EGADRP c1ccc(COc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccn2)cc1 ZINC000647793015 461838229 /nfs/dbraw/zinc/83/82/29/461838229.db2.gz HUWKVEUNWCVGGA-XUVXKRRUSA-N 2 0 337.467 3.138 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)OC(C)C ZINC000647795193 461838505 /nfs/dbraw/zinc/83/85/05/461838505.db2.gz JPPBTOQSBMZTFG-XLSPSMHOSA-N 2 0 332.488 3.139 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857819 461838653 /nfs/dbraw/zinc/83/86/53/461838653.db2.gz KLXDPOHQYZPNRQ-DGCLKSJQSA-N 2 0 329.257 3.251 20 0 EGADRP c1ccc(COc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccn2)cc1 ZINC000647793013 461838693 /nfs/dbraw/zinc/83/86/93/461838693.db2.gz HUWKVEUNWCVGGA-SLFFLAALSA-N 2 0 337.467 3.138 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858022 461839027 /nfs/dbraw/zinc/83/90/27/461839027.db2.gz UBBDWVQWGRJFEH-OCCSQVGLSA-N 2 0 343.393 3.154 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858023 461839103 /nfs/dbraw/zinc/83/91/03/461839103.db2.gz UBBDWVQWGRJFEH-TZMCWYRMSA-N 2 0 343.393 3.154 20 0 EGADRP CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NCc1cccs1 ZINC000647801994 461842582 /nfs/dbraw/zinc/84/25/82/461842582.db2.gz AGMNUVMPBWRLFC-INMHGKMJSA-N 2 0 337.533 3.043 20 0 EGADRP Brc1ccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814413 461848221 /nfs/dbraw/zinc/84/82/21/461848221.db2.gz MYEFZAJCPCPTRK-UHFFFAOYSA-N 2 0 339.277 3.044 20 0 EGADRP CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647872229 461865819 /nfs/dbraw/zinc/86/58/19/461865819.db2.gz JISGVCLGPPXBSK-LBPRGKRZSA-N 2 0 344.286 3.253 20 0 EGADRP Cc1ccc(C(=O)NC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)s1 ZINC000647882921 461870742 /nfs/dbraw/zinc/87/07/42/461870742.db2.gz PCWMJXGTDKVDGN-UHFFFAOYSA-N 2 0 349.544 3.031 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OCC ZINC000666954005 461886594 /nfs/dbraw/zinc/88/65/94/461886594.db2.gz NGNRPNYRZWUPML-LJQANCHMSA-N 2 0 332.488 3.496 20 0 EGADRP CCn1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2ccccc21 ZINC000656782786 461892241 /nfs/dbraw/zinc/89/22/41/461892241.db2.gz JQGRFWQKJYHAMR-QGZVFWFLSA-N 2 0 326.488 3.268 20 0 EGADRP c1cc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656784417 461894496 /nfs/dbraw/zinc/89/44/96/461894496.db2.gz AXVDHUODDMKAIA-OAHLLOKOSA-N 2 0 330.501 3.350 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647938872 461895704 /nfs/dbraw/zinc/89/57/04/461895704.db2.gz WINZAFPRCHJZBM-XLIONFOSSA-N 2 0 337.467 3.498 20 0 EGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc(C4CCCC4)c3)C2)nn1 ZINC000656786607 461898007 /nfs/dbraw/zinc/89/80/07/461898007.db2.gz OGODCZKWEBMDOD-FQEVSTJZSA-N 2 0 339.487 3.232 20 0 EGADRP CCOCc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OC ZINC000656786231 461898439 /nfs/dbraw/zinc/89/84/39/461898439.db2.gz QHIDCOLPYMDJRQ-LJQANCHMSA-N 2 0 346.515 3.443 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000650706223 461899217 /nfs/dbraw/zinc/89/92/17/461899217.db2.gz GQWHWLCBVLDFQY-UAGQMJEPSA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000650707058 461899494 /nfs/dbraw/zinc/89/94/94/461899494.db2.gz XSGRQDISWSHKAB-GMBSWORKSA-N 2 0 343.446 3.092 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000650706914 461899753 /nfs/dbraw/zinc/89/97/53/461899753.db2.gz VNKQAWMJSSAPSA-LMMKCTJWSA-N 2 0 341.455 3.060 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706499 461900226 /nfs/dbraw/zinc/90/02/26/461900226.db2.gz LXNLPYAVHSQWGK-NLWGTHIKSA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000650707536 461900857 /nfs/dbraw/zinc/90/08/57/461900857.db2.gz HZTIMBCDWZDXHG-SFHLNBCPSA-N 2 0 344.499 3.194 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707876 461901119 /nfs/dbraw/zinc/90/11/19/461901119.db2.gz OSCXGFCCAQEPDY-PMXSJFBMSA-N 2 0 330.516 3.474 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000650707534 461902104 /nfs/dbraw/zinc/90/21/04/461902104.db2.gz HZTIMBCDWZDXHG-QKNQBKEWSA-N 2 0 344.499 3.194 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1CC[NH3+] ZINC000650711926 461905239 /nfs/dbraw/zinc/90/52/39/461905239.db2.gz JHNHNQXTGZUZFG-HNAYVOBHSA-N 2 0 330.451 3.020 20 0 EGADRP c1cc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc2)ccn1 ZINC000666998277 461905814 /nfs/dbraw/zinc/90/58/14/461905814.db2.gz KUKZNYJYWHCCKS-LJQANCHMSA-N 2 0 337.467 3.425 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000650723945 461916199 /nfs/dbraw/zinc/91/61/99/461916199.db2.gz WDDFGUIFBYPSHS-HSALFYBXSA-N 2 0 325.456 3.096 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723761 461916277 /nfs/dbraw/zinc/91/62/77/461916277.db2.gz SXTGZEQEHXQZOI-SXLOBPIMSA-N 2 0 332.488 3.335 20 0 EGADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974935 461916585 /nfs/dbraw/zinc/91/65/85/461916585.db2.gz CEYWQMKKRMIIKG-OALUTQOASA-N 2 0 343.515 3.140 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000650723744 461917047 /nfs/dbraw/zinc/91/70/47/461917047.db2.gz SNSMWAKYZCOYSG-ZBHNHUSPSA-N 2 0 336.426 3.339 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650762181 461940116 /nfs/dbraw/zinc/94/01/16/461940116.db2.gz WBLOFZBKLXZUNS-UHFFFAOYSA-N 3 0 329.532 3.409 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761581 461940533 /nfs/dbraw/zinc/94/05/33/461940533.db2.gz DCYQWJWJTGAFEP-LBPRGKRZSA-N 2 0 343.284 3.499 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761580 461940749 /nfs/dbraw/zinc/94/07/49/461940749.db2.gz DCYQWJWJTGAFEP-GFCCVEGCSA-N 2 0 343.284 3.499 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000648053082 461959320 /nfs/dbraw/zinc/95/93/20/461959320.db2.gz GVZRXEPUXXMESH-IBGZPJMESA-N 2 0 325.456 3.012 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000644530502 461971882 /nfs/dbraw/zinc/97/18/82/461971882.db2.gz BQIYHRPTFPYTQZ-YADHBBJMSA-N 2 0 338.495 3.092 20 0 EGADRP O=C(CC[NH2+]CCCCC[NH+]1CCCCC1)Nc1ccccc1F ZINC000644559480 461986011 /nfs/dbraw/zinc/98/60/11/461986011.db2.gz YCWIVLKRYLQGTO-UHFFFAOYSA-N 2 0 335.467 3.400 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579085 462000009 /nfs/dbraw/zinc/00/00/09/462000009.db2.gz GRXKOOJLMBBCAM-LZLYRXPVSA-N 2 0 330.472 3.069 20 0 EGADRP c1ccc(CN2CCCO[C@H](C[NH+]3CCC(C4CC4)CC3)C2)cc1 ZINC000644720369 462050729 /nfs/dbraw/zinc/05/07/29/462050729.db2.gz YQIFGBMACZMOIV-OAQYLSRUSA-N 2 0 328.500 3.400 20 0 EGADRP Cc1ccccc1-c1noc(CN2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639682335 462054895 /nfs/dbraw/zinc/05/48/95/462054895.db2.gz SVJXDBUBDIAJGA-UHFFFAOYSA-N 2 0 349.438 3.152 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000657364015 462073539 /nfs/dbraw/zinc/07/35/39/462073539.db2.gz RULDOXIOHNCCKS-YJBOKZPZSA-N 2 0 340.533 3.121 20 0 EGADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000657366665 462075382 /nfs/dbraw/zinc/07/53/82/462075382.db2.gz JEOIHAPJHHUZIX-ROUUACIJSA-N 2 0 334.504 3.373 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc3ccncc3s2)C[C@H](C)O1 ZINC000657367306 462075818 /nfs/dbraw/zinc/07/58/18/462075818.db2.gz OEANWFZKYZYXSO-GASCZTMLSA-N 2 0 333.501 3.275 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c(F)c2F)C[C@@H](C)O1 ZINC000657367109 462076340 /nfs/dbraw/zinc/07/63/40/462076340.db2.gz LWOSYGBXRYVAON-CHWSQXEVSA-N 2 0 330.394 3.083 20 0 EGADRP c1cnn(CC[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000639725244 462077192 /nfs/dbraw/zinc/07/71/92/462077192.db2.gz JTGVRBNAGWVXGG-UHFFFAOYSA-N 2 0 338.499 3.261 20 0 EGADRP CC[C@@H](C)[N@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000661106320 462105745 /nfs/dbraw/zinc/10/57/45/462105745.db2.gz HULMQGKMOMPGFO-MRXNPFEDSA-N 2 0 349.544 3.294 20 0 EGADRP COCCC[NH+]1CCC(NCc2cc3cc(Cl)cnc3o2)CC1 ZINC000648440104 462119917 /nfs/dbraw/zinc/11/99/17/462119917.db2.gz JGRPTNIYGAKBKW-UHFFFAOYSA-N 2 0 337.851 3.072 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667544044 462135548 /nfs/dbraw/zinc/13/55/48/462135548.db2.gz UCDULBFTCKIOKJ-HXUWFJFHSA-N 2 0 332.488 3.018 20 0 EGADRP O[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000645076847 462172196 /nfs/dbraw/zinc/17/21/96/462172196.db2.gz ZEOSZPGOQZCWTQ-OAQYLSRUSA-N 2 0 348.506 3.317 20 0 EGADRP c1ccc2c(c1)CC[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000657611971 462203933 /nfs/dbraw/zinc/20/39/33/462203933.db2.gz GPJNTTKCNWJADV-QFIPXVFZSA-N 2 0 335.495 3.441 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667672407 462206351 /nfs/dbraw/zinc/20/63/51/462206351.db2.gz VCGNVSSSWPAPMK-NRFANRHFSA-N 2 0 346.515 3.408 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC(C)(C)F)CC1 ZINC000657645092 462214449 /nfs/dbraw/zinc/21/44/49/462214449.db2.gz KEKSDSOKRDKRTL-UHFFFAOYSA-N 2 0 327.875 3.320 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](Nc2ncnc3[nH]c(C)c(C)c32)[C@@H](C)C1 ZINC000645174308 462216437 /nfs/dbraw/zinc/21/64/37/462216437.db2.gz STEUSXSOBWIIAO-BBRMVZONSA-N 2 0 345.491 3.124 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H](Nc2ncnc3[nH]c(C)c(C)c32)[C@@H](C)C1 ZINC000645174319 462216589 /nfs/dbraw/zinc/21/65/89/462216589.db2.gz STEUSXSOBWIIAO-XJKSGUPXSA-N 2 0 345.491 3.124 20 0 EGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667735579 462239941 /nfs/dbraw/zinc/23/99/41/462239941.db2.gz XYGCIGXVDIQOBZ-UHFFFAOYSA-N 2 0 332.492 3.312 20 0 EGADRP CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000648742303 462255788 /nfs/dbraw/zinc/25/57/88/462255788.db2.gz BXPWADSJCMGTBX-FXAWDEMLSA-N 2 0 332.488 3.018 20 0 EGADRP OC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000657772791 462259368 /nfs/dbraw/zinc/25/93/68/462259368.db2.gz IIOYQFTYFXLUEG-ZOWXZIJZSA-N 2 0 329.271 3.243 20 0 EGADRP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657814043 462279128 /nfs/dbraw/zinc/27/91/28/462279128.db2.gz GJYZUBCOBDCVSB-NRFANRHFSA-N 2 0 344.499 3.066 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000657813726 462280209 /nfs/dbraw/zinc/28/02/09/462280209.db2.gz YQGOYZIDBCPWTA-HXUWFJFHSA-N 2 0 328.500 3.264 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657837898 462291241 /nfs/dbraw/zinc/29/12/41/462291241.db2.gz XDOSXUIVFUJOFR-OALUTQOASA-N 2 0 343.559 3.112 20 0 EGADRP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H](c1ccccc1)[NH+](C)C ZINC000667849897 462293105 /nfs/dbraw/zinc/29/31/05/462293105.db2.gz INHQSOQBBFIBDP-IFXJQAMLSA-N 2 0 338.455 3.103 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccncc2s1 ZINC000657879454 462305955 /nfs/dbraw/zinc/30/59/55/462305955.db2.gz OIYAUPIIKLRGPR-ZBFHGGJFSA-N 2 0 344.528 3.115 20 0 EGADRP COC[C@@H](CC(C)(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000651736357 462319543 /nfs/dbraw/zinc/31/95/43/462319543.db2.gz WKOCONXEWXIPFR-MRXNPFEDSA-N 2 0 348.535 3.475 20 0 EGADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000661645426 462346888 /nfs/dbraw/zinc/34/68/88/462346888.db2.gz RBKGYKMYAUMFOH-LEWJYISDSA-N 2 0 329.532 3.110 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000648996647 462364130 /nfs/dbraw/zinc/36/41/30/462364130.db2.gz XECLMZMNDIFJHQ-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658069586 462366589 /nfs/dbraw/zinc/36/65/89/462366589.db2.gz PJXLZSFQHLRGCQ-OAQYLSRUSA-N 2 0 344.499 3.163 20 0 EGADRP Oc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658070167 462367163 /nfs/dbraw/zinc/36/71/63/462367163.db2.gz NFJAROQNMMRFDC-NRFANRHFSA-N 2 0 344.499 3.250 20 0 EGADRP CO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000665275312 462380427 /nfs/dbraw/zinc/38/04/27/462380427.db2.gz HIBWRKHDHDEPID-SXLOBPIMSA-N 2 0 330.472 3.037 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1(CO)CC1 ZINC000658154237 462408829 /nfs/dbraw/zinc/40/88/29/462408829.db2.gz KHEHFAYZUNIVRG-IJXRJRJASA-N 2 0 328.500 3.180 20 0 EGADRP CCOC1CCC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000658161856 462413469 /nfs/dbraw/zinc/41/34/69/462413469.db2.gz AWMLYFDTMOANEH-UHFFFAOYSA-N 2 0 331.504 3.231 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658167825 462416263 /nfs/dbraw/zinc/41/62/63/462416263.db2.gz ULZBJEQNQYCHTB-RTBURBONSA-N 2 0 331.504 3.087 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000654947232 462428527 /nfs/dbraw/zinc/42/85/27/462428527.db2.gz RPJCQKLTQGFINR-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000649211575 462441069 /nfs/dbraw/zinc/44/10/69/462441069.db2.gz VNNAPABVJZWOBW-HNBVOPMISA-N 2 0 345.531 3.208 20 0 EGADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652173681 462461248 /nfs/dbraw/zinc/46/12/48/462461248.db2.gz UNRBUDVAFGRJRZ-MRXNPFEDSA-N 2 0 334.460 3.015 20 0 EGADRP CC(C)C[C@H](CNC(=O)c1ccc(C[NH3+])o1)[NH2+][C@@H](C)c1ccccc1 ZINC000645964373 462480410 /nfs/dbraw/zinc/48/04/10/462480410.db2.gz GSOWRULTZRVKEW-DOTOQJQBSA-N 2 0 343.471 3.234 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2C)[C@@H](C)C1 ZINC000658352313 462487178 /nfs/dbraw/zinc/48/71/78/462487178.db2.gz HWWIWAKZHZLUIX-QFBILLFUSA-N 2 0 334.504 3.230 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355573 462488979 /nfs/dbraw/zinc/48/89/79/462488979.db2.gz CVPURGQBZKKBCE-OAHLLOKOSA-N 2 0 347.478 3.254 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1)C(C)C ZINC000649370708 462490112 /nfs/dbraw/zinc/49/01/12/462490112.db2.gz VPJFECQSHZPOMZ-LJQANCHMSA-N 2 0 343.515 3.321 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCCc2ccccc2)CC1 ZINC000186902241 534228021 /nfs/dbraw/zinc/22/80/21/534228021.db2.gz RORVGLYDVSOVAW-OYRHEFFESA-N 2 0 343.559 3.500 20 0 EGADRP CCCc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000187357336 528636315 /nfs/dbraw/zinc/63/63/15/528636315.db2.gz RKJRNPICNUGDOT-JOCHJYFZSA-N 2 0 338.495 3.496 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000154226261 529144978 /nfs/dbraw/zinc/14/49/78/529144978.db2.gz GEIADXYFBDTSTB-UZLBHIALSA-N 2 0 333.495 3.066 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000187159921 529147046 /nfs/dbraw/zinc/14/70/46/529147046.db2.gz UCPMGILRVXKPIS-PZJWPPBQSA-N 2 0 331.548 3.117 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000246989936 535281169 /nfs/dbraw/zinc/28/11/69/535281169.db2.gz KQRIAAGCBGEEMF-GHTZIAJQSA-N 3 0 329.532 3.491 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1)C1CC1 ZINC000338010570 535782908 /nfs/dbraw/zinc/78/29/08/535782908.db2.gz VKEQDOMZIJASBG-UHFFFAOYSA-N 2 0 341.499 3.028 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000246918039 536886591 /nfs/dbraw/zinc/88/65/91/536886591.db2.gz GGBUYIMLULWDJE-OWCLPIDISA-N 2 0 338.467 3.374 20 0 EGADRP C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)C1CC[NH+](C)CC1 ZINC000089669496 546645994 /nfs/dbraw/zinc/64/59/94/546645994.db2.gz NAAMIYXHTRWUNS-HNNXBMFYSA-N 2 0 344.528 3.458 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185047 546654543 /nfs/dbraw/zinc/65/45/43/546654543.db2.gz CDEYETFFTOZIAU-HXUWFJFHSA-N 2 0 329.532 3.361 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000152041443 546864635 /nfs/dbraw/zinc/86/46/35/546864635.db2.gz JVLSFDLXEZVLPZ-UHFFFAOYSA-N 2 0 334.479 3.338 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000154872280 546895703 /nfs/dbraw/zinc/89/57/03/546895703.db2.gz LSXVXJJFVZIJAZ-UWJYYQICSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000163950313 546976495 /nfs/dbraw/zinc/97/64/95/546976495.db2.gz XQAGEIOAOOCEIN-SFHVURJKSA-N 3 0 329.532 3.492 20 0 EGADRP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000165974970 546985034 /nfs/dbraw/zinc/98/50/34/546985034.db2.gz GYYYRIYDPXLUKR-ZWKOTPCHSA-N 2 0 332.488 3.243 20 0 EGADRP [NH3+]Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)o1 ZINC000166416418 546987178 /nfs/dbraw/zinc/98/71/78/546987178.db2.gz GSEJSCKVFZYMLN-UHFFFAOYSA-N 2 0 341.455 3.044 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1c[nH]nc1C ZINC000180143242 547053164 /nfs/dbraw/zinc/05/31/64/547053164.db2.gz CHYANZCOPNWRAO-OAHLLOKOSA-N 2 0 330.476 3.290 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000247150680 547288043 /nfs/dbraw/zinc/28/80/43/547288043.db2.gz XKDOZPCVGDVOSD-CTNGQTDRSA-N 2 0 338.499 3.330 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000353931834 547699909 /nfs/dbraw/zinc/69/99/09/547699909.db2.gz KPDZDZLWITVGQL-FHERZECASA-N 2 0 336.442 3.446 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398111923 547837646 /nfs/dbraw/zinc/83/76/46/547837646.db2.gz DJCSHUJWNMECBO-YZGWKJHDSA-N 2 0 345.531 3.024 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000472137498 547952619 /nfs/dbraw/zinc/95/26/19/547952619.db2.gz AKOBGEGTDMGKPU-LJQANCHMSA-N 2 0 337.511 3.469 20 0 EGADRP CCC[C@@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000671726597 548344562 /nfs/dbraw/zinc/34/45/62/548344562.db2.gz NAWFPKJQVIUDHG-HXUWFJFHSA-N 2 0 332.488 3.210 20 0 EGADRP Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000671730947 548347240 /nfs/dbraw/zinc/34/72/40/548347240.db2.gz WFMGLPOHOHMNRC-UHFFFAOYSA-N 2 0 331.460 3.257 20 0 EGADRP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000673962342 548662838 /nfs/dbraw/zinc/66/28/38/548662838.db2.gz LMALLDWLWICJLT-MGPUTAFESA-N 2 0 326.440 3.239 20 0 EGADRP c1nc2ccccn2c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675245515 548880125 /nfs/dbraw/zinc/88/01/25/548880125.db2.gz GWBMQKUCBGKGKD-UHFFFAOYSA-N 2 0 326.488 3.422 20 0 EGADRP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000675738258 548970668 /nfs/dbraw/zinc/97/06/68/548970668.db2.gz OQGOYXXENQVLMG-KBXCAEBGSA-N 2 0 346.906 3.483 20 0 EGADRP C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000675738274 548970952 /nfs/dbraw/zinc/97/09/52/548970952.db2.gz OQGOYXXENQVLMG-RDTXWAMCSA-N 2 0 346.906 3.483 20 0 EGADRP CC(C)C[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000675740650 548972096 /nfs/dbraw/zinc/97/20/96/548972096.db2.gz SGBCOGPLFWJLLN-UHFFFAOYSA-N 2 0 343.559 3.404 20 0 EGADRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000675742994 548972807 /nfs/dbraw/zinc/97/28/07/548972807.db2.gz YNKSFAJQGJPCPM-IBGZPJMESA-N 2 0 333.520 3.152 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675888289 548997816 /nfs/dbraw/zinc/99/78/16/548997816.db2.gz DEUWBQUQOXQLGB-VQIMIIECSA-N 2 0 333.495 3.423 20 0 EGADRP C[N@H+](CCOC(C)(C)C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678284879 549459905 /nfs/dbraw/zinc/45/99/05/549459905.db2.gz ZJGUBZISXFJRKZ-UHFFFAOYSA-N 2 0 334.504 3.408 20 0 EGADRP CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678623775 549533750 /nfs/dbraw/zinc/53/37/50/549533750.db2.gz MHPGVMOJRPLCHQ-MRXNPFEDSA-N 2 0 327.472 3.435 20 0 EGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000678802841 549564650 /nfs/dbraw/zinc/56/46/50/549564650.db2.gz CWCRZSPHBPERRY-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000678821218 549568771 /nfs/dbraw/zinc/56/87/71/549568771.db2.gz KVSWSBOJIRZXDY-UHFFFAOYSA-N 2 0 330.516 3.399 20 0 EGADRP C[C@@H]1C[C@@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@@H+]1C ZINC000679143685 549644177 /nfs/dbraw/zinc/64/41/77/549644177.db2.gz YPAPBNVTEXOUGC-APWZRJJASA-N 2 0 333.545 3.173 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326567 549688577 /nfs/dbraw/zinc/68/85/77/549688577.db2.gz YEDXQAFVJVMBPN-OHWJTAOLSA-N 2 0 330.516 3.428 20 0 EGADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000679360187 549696001 /nfs/dbraw/zinc/69/60/01/549696001.db2.gz HYZWOLOWDSLTII-FPOVZHCZSA-N 2 0 346.515 3.144 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)n1 ZINC000679770173 549774531 /nfs/dbraw/zinc/77/45/31/549774531.db2.gz ORMQPOKGKLLOBL-OXQOHEQNSA-N 2 0 339.483 3.116 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)Cc3ccsc3)CC2)CC1 ZINC000679989627 549801789 /nfs/dbraw/zinc/80/17/89/549801789.db2.gz SDOLFAACQBBVKV-QGZVFWFLSA-N 2 0 335.561 3.170 20 0 EGADRP C/C(=C/c1ccccc1)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000680483326 549870609 /nfs/dbraw/zinc/87/06/09/549870609.db2.gz HIXXTTCFJGXIBU-JZJYNLBNSA-N 2 0 341.543 3.439 20 0 EGADRP Cc1ccc(C(C)(C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000680545303 549877282 /nfs/dbraw/zinc/87/72/82/549877282.db2.gz DFNIFFJCKSEJND-UHFFFAOYSA-N 2 0 327.472 3.355 20 0 EGADRP C[C@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000680828088 549915385 /nfs/dbraw/zinc/91/53/85/549915385.db2.gz QEACQNAKBLRFMK-IFXJQAMLSA-N 2 0 346.906 3.483 20 0 EGADRP COC[C@@H]1CCCC[NH+](C/C=C\C[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000681038570 549945694 /nfs/dbraw/zinc/94/56/94/549945694.db2.gz UUWMDEHGOFWGFV-ILWWCXPUSA-N 2 0 338.536 3.040 20 0 EGADRP CC(C)c1ccc(CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000681110530 549955974 /nfs/dbraw/zinc/95/59/74/549955974.db2.gz HDFWSEPZXPRALQ-NRFANRHFSA-N 2 0 329.532 3.064 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000683766046 550259248 /nfs/dbraw/zinc/25/92/48/550259248.db2.gz SFVSOERFWMSKAM-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929878 550274690 /nfs/dbraw/zinc/27/46/90/550274690.db2.gz XRNCHLMTYZOJMF-UXHICEINSA-N 2 0 327.472 3.025 20 0 EGADRP C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684147934 550296579 /nfs/dbraw/zinc/29/65/79/550296579.db2.gz AQYHMZHJEBTFJZ-UYAOXDASSA-N 2 0 346.515 3.287 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000684953597 550387606 /nfs/dbraw/zinc/38/76/06/550387606.db2.gz OYXXSWFWOWTYSU-LJQANCHMSA-N 2 0 325.456 3.189 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000685452305 550417842 /nfs/dbraw/zinc/41/78/42/550417842.db2.gz FPKRYFYORAHBCF-FQEVSTJZSA-N 2 0 325.456 3.359 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000733778752 575392389 /nfs/dbraw/zinc/39/23/89/575392389.db2.gz GLBSOFQXHLPFEH-WOJBJXKFSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000733778750 575392444 /nfs/dbraw/zinc/39/24/44/575392444.db2.gz GLBSOFQXHLPFEH-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H]([NH+](C)CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742588356 576790814 /nfs/dbraw/zinc/79/08/14/576790814.db2.gz IZNHRGQYYCPDQA-HOTGVXAUSA-N 2 0 348.597 3.134 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419770 599375907 /nfs/dbraw/zinc/37/59/07/599375907.db2.gz KGGQVEJNMLWCDI-INIZCTEOSA-N 2 0 342.491 3.174 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824533075 609144085 /nfs/dbraw/zinc/14/40/85/609144085.db2.gz YWXGWPMBZVSDGL-BLLLJJGKSA-N 2 0 348.470 3.023 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc3ncccc23)C[C@H](C)O1 ZINC000873057312 1297249973 /nfs/dbraw/zinc/24/99/73/1297249973.db2.gz ZBLGPEBSOVKKFT-IRXDYDNUSA-N 2 0 327.472 3.214 20 0 EGADRP c1c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000687959446 1298121708 /nfs/dbraw/zinc/12/17/08/1298121708.db2.gz LTXBXKACMUOCJI-QGZVFWFLSA-N 2 0 342.508 3.433 20 0 EGADRP CC(C)N(CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000698101395 1298167172 /nfs/dbraw/zinc/16/71/72/1298167172.db2.gz XUMPNYZPONHSJC-IRXDYDNUSA-N 2 0 339.524 3.238 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920976 1303194074 /nfs/dbraw/zinc/19/40/74/1303194074.db2.gz SHBSNUMUGPIWML-IAGOWNOFSA-N 2 0 339.524 3.144 20 0 EGADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(F)cc1 ZINC000057888670 1291867041 /nfs/dbraw/zinc/86/70/41/1291867041.db2.gz MARGCDBUYQYRNO-HXUWFJFHSA-N 2 0 334.479 3.447 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccsc2)CC1 ZINC000061070224 1291959224 /nfs/dbraw/zinc/95/92/24/1291959224.db2.gz BLGIYQXSYXXLPE-UHFFFAOYSA-N 2 0 329.513 3.175 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccccc2C)CC1 ZINC000061070325 1291959305 /nfs/dbraw/zinc/95/93/05/1291959305.db2.gz LLIUTANQPVAVAX-UHFFFAOYSA-N 2 0 337.511 3.422 20 0 EGADRP CC(C)c1nc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000062252759 1291983980 /nfs/dbraw/zinc/98/39/80/1291983980.db2.gz NXGTYRSPWXMQIZ-GASCZTMLSA-N 2 0 325.522 3.246 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000072517969 1292278771 /nfs/dbraw/zinc/27/87/71/1292278771.db2.gz VGXSDDQLAIYBLS-UHFFFAOYSA-N 2 0 340.556 3.011 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000080401539 1292599638 /nfs/dbraw/zinc/59/96/38/1292599638.db2.gz LOVFJDKNONCCBX-UHFFFAOYSA-N 2 0 339.483 3.415 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000089553970 1292772689 /nfs/dbraw/zinc/77/26/89/1292772689.db2.gz YZAXJGMAIOIEMG-WBMJQRKESA-N 2 0 330.394 3.059 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000105464976 1293039580 /nfs/dbraw/zinc/03/95/80/1293039580.db2.gz OMLJWSOQRFJXJT-GFCCVEGCSA-N 2 0 349.828 3.084 20 0 EGADRP COC1([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000834789566 1293148710 /nfs/dbraw/zinc/14/87/10/1293148710.db2.gz DBKDNZUWSOAUPJ-QUCCMNQESA-N 2 0 346.515 3.072 20 0 EGADRP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000120997866 1293351291 /nfs/dbraw/zinc/35/12/91/1293351291.db2.gz ULLXYIVOVFVXLS-IYBDPMFKSA-N 2 0 326.488 3.486 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130731917 1293667096 /nfs/dbraw/zinc/66/70/96/1293667096.db2.gz OGNICGWWDIJLJU-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000132098618 1293708976 /nfs/dbraw/zinc/70/89/76/1293708976.db2.gz PMRNHJBMOSUXQZ-UHFFFAOYSA-N 2 0 338.499 3.423 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000136605423 1293819030 /nfs/dbraw/zinc/81/90/30/1293819030.db2.gz DYEWGBRSWSQOOG-NHCUHLMSSA-N 2 0 339.483 3.092 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000136603968 1293819187 /nfs/dbraw/zinc/81/91/87/1293819187.db2.gz ASDLWTJRZPDWDR-WOJBJXKFSA-N 2 0 339.483 3.092 20 0 EGADRP C[C@@H](Cn1cccn1)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000137872936 1293832276 /nfs/dbraw/zinc/83/22/76/1293832276.db2.gz DERYYPUPIJRWFG-KRWDZBQOSA-N 2 0 341.503 3.162 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)CCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000155692764 1294110699 /nfs/dbraw/zinc/11/06/99/1294110699.db2.gz UNZBCSFQXRAVLC-PKOBYXMFSA-N 2 0 331.504 3.017 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)C2([NH+](C)C)CCC2)c2cccs2)CC1 ZINC000158565173 1294207925 /nfs/dbraw/zinc/20/79/25/1294207925.db2.gz CVHUYGWKAIUJPE-MRXNPFEDSA-N 2 0 349.544 3.122 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000160113380 1294257475 /nfs/dbraw/zinc/25/74/75/1294257475.db2.gz IXELDQCLYULOOQ-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000162763942 1294321764 /nfs/dbraw/zinc/32/17/64/1294321764.db2.gz UHXCGJNOEILALV-HNNXBMFYSA-N 2 0 336.373 3.291 20 0 EGADRP CC[C@H](O)CC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183136512 1295101107 /nfs/dbraw/zinc/10/11/07/1295101107.db2.gz SZCMNPZYESOGGR-APWZRJJASA-N 2 0 334.504 3.493 20 0 EGADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000870865590 1296121262 /nfs/dbraw/zinc/12/12/62/1296121262.db2.gz DSUVRADUIDEMLW-FHLIZLRMSA-N 2 0 349.906 3.111 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)C1 ZINC000870866091 1296121327 /nfs/dbraw/zinc/12/13/27/1296121327.db2.gz MZPYCHCEMLCLBZ-FFZOFVMBSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N1CC[NH+](C)CC1 ZINC000236678119 1296195689 /nfs/dbraw/zinc/19/56/89/1296195689.db2.gz IWGMAPSRUOOFDS-FQEVSTJZSA-N 2 0 331.548 3.346 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CCCCC[NH3+])c2cccs2)CC1 ZINC000236720413 1296198986 /nfs/dbraw/zinc/19/89/86/1296198986.db2.gz NFZYTHGBKLESPC-INIZCTEOSA-N 2 0 337.533 3.156 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000236865797 1296206734 /nfs/dbraw/zinc/20/67/34/1296206734.db2.gz RSFMDZWYIGLXIA-CQSZACIVSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000237441794 1296242989 /nfs/dbraw/zinc/24/29/89/1296242989.db2.gz WICBXIIVEQCSKT-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247660607 1296398498 /nfs/dbraw/zinc/39/84/98/1296398498.db2.gz XWPMVRUIVVUAFG-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261542735 1296594958 /nfs/dbraw/zinc/59/49/58/1296594958.db2.gz CKMMASMPBZGEJF-XRXFAXGQSA-N 3 0 327.516 3.019 20 0 EGADRP [NH3+]Cc1cc(NC(=O)CC2(C[NH3+])CCCCC2)cc(C(F)(F)F)c1 ZINC000263002658 1296656766 /nfs/dbraw/zinc/65/67/66/1296656766.db2.gz QACBWQJKRCUIAJ-UHFFFAOYSA-N 2 0 343.393 3.402 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000321847182 1297182441 /nfs/dbraw/zinc/18/24/41/1297182441.db2.gz BIYKDTKSRAATLT-QAETUUGQSA-N 2 0 337.508 3.039 20 0 EGADRP Cn1c2ccccc2c(Br)c1C[NH2+]CCCC[NH+](C)C ZINC000873029420 1297233142 /nfs/dbraw/zinc/23/31/42/1297233142.db2.gz GPFBXYZGAJDGIU-UHFFFAOYSA-N 2 0 338.293 3.372 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1)[NH+]1CCCC1 ZINC000340173039 1297309343 /nfs/dbraw/zinc/30/93/43/1297309343.db2.gz FMGWTWMNJJEQEU-NBYUQASBSA-N 2 0 347.551 3.498 20 0 EGADRP CCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000873204392 1297350011 /nfs/dbraw/zinc/35/00/11/1297350011.db2.gz ABBCCKGAZVFOSM-CGTJXYLNSA-N 2 0 334.529 3.419 20 0 EGADRP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206208 1297354235 /nfs/dbraw/zinc/35/42/35/1297354235.db2.gz XGIKVKGSNFVYBP-ICSRJNTNSA-N 2 0 342.508 3.482 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCCCOc2ccccc2)C[C@H]1C(F)(F)F ZINC000873227149 1297366180 /nfs/dbraw/zinc/36/61/80/1297366180.db2.gz CJYJLHWGBXBXSF-GOEBONIOSA-N 2 0 330.394 3.305 20 0 EGADRP Fc1ccc([C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000873265076 1297397957 /nfs/dbraw/zinc/39/79/57/1297397957.db2.gz STUGLOZDNBAYIT-MKNHVETJSA-N 2 0 325.431 3.430 20 0 EGADRP Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291084 1297412866 /nfs/dbraw/zinc/41/28/66/1297412866.db2.gz UFEKRBUMRAUAMO-BBRMVZONSA-N 2 0 336.476 3.111 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000396467398 1297688944 /nfs/dbraw/zinc/68/89/44/1297688944.db2.gz UTIDYBNHUNXZQT-BLLLJJGKSA-N 2 0 330.394 3.059 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000522851136 1297986815 /nfs/dbraw/zinc/98/68/15/1297986815.db2.gz LCPNGKZNNXHHEZ-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877069848 1299143902 /nfs/dbraw/zinc/14/39/02/1299143902.db2.gz HMAFRKRHYNRHKM-HOTGVXAUSA-N 2 0 341.540 3.390 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000877201971 1299204818 /nfs/dbraw/zinc/20/48/18/1299204818.db2.gz UWWPLKXNUPSXBZ-FXAWDEMLSA-N 2 0 345.531 3.024 20 0 EGADRP [NH3+][C@H](CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)c1ccccc1 ZINC000877452841 1299311338 /nfs/dbraw/zinc/31/13/38/1299311338.db2.gz SITDZTTUVMXKBR-NSISKUIASA-N 2 0 343.515 3.223 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC000877746623 1299522900 /nfs/dbraw/zinc/52/29/00/1299522900.db2.gz ULVZOIIQOGFWJO-UHFFFAOYSA-N 2 0 347.469 3.067 20 0 EGADRP C=C/C=C\CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878607801 1300104870 /nfs/dbraw/zinc/10/48/70/1300104870.db2.gz ZATIIOLBNZGACK-YOXWTLATSA-N 2 0 325.500 3.011 20 0 EGADRP C[C@H]1COCC[NH+](CCCCCCCC[N@H+]2CCOC[C@H](C)C2)C1 ZINC000754382219 1300133674 /nfs/dbraw/zinc/13/36/74/1300133674.db2.gz VPRKZULAWGBTET-WOJBJXKFSA-N 2 0 340.552 3.264 20 0 EGADRP C[NH+]1CCC2(CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000879249563 1300452605 /nfs/dbraw/zinc/45/26/05/1300452605.db2.gz URDUUJZRIXMPKZ-UHFFFAOYSA-N 2 0 335.879 3.086 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000758204539 1300812121 /nfs/dbraw/zinc/81/21/21/1300812121.db2.gz VQYDOHFIJNMPRA-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC000762652192 1301722842 /nfs/dbraw/zinc/72/28/42/1301722842.db2.gz WQRXZSXTYLIYFQ-ROUUACIJSA-N 2 0 334.504 3.464 20 0 EGADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC(C)([NH+]2CCC2)CC1 ZINC000882963095 1302185538 /nfs/dbraw/zinc/18/55/38/1302185538.db2.gz NTVACXUTTICYMZ-UHFFFAOYSA-N 2 0 329.419 3.447 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000765769713 1302321395 /nfs/dbraw/zinc/32/13/95/1302321395.db2.gz MHMHYXYWUOIISQ-UHFFFAOYSA-N 2 0 344.547 3.043 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CCO1 ZINC000883387800 1302426482 /nfs/dbraw/zinc/42/64/82/1302426482.db2.gz FIECHEPXJOTDHY-JYJNAYRXSA-N 2 0 339.361 3.324 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000766974651 1302555683 /nfs/dbraw/zinc/55/56/83/1302555683.db2.gz OBAOVPRNKGGGML-OAHLLOKOSA-N 2 0 337.335 3.251 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000884329061 1302816484 /nfs/dbraw/zinc/81/64/84/1302816484.db2.gz FPOSNJGMCMDOFH-RLLQIKCJSA-N 2 0 345.531 3.037 20 0 EGADRP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000768094838 1302822633 /nfs/dbraw/zinc/82/26/33/1302822633.db2.gz CUWDWYHJTAKZES-SOUVJXGZSA-N 2 0 344.421 3.244 20 0 EGADRP COc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc(OC)c1 ZINC000768537099 1302928094 /nfs/dbraw/zinc/92/80/94/1302928094.db2.gz LQKXEFQENXDGNX-UHFFFAOYSA-N 2 0 328.456 3.397 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC(C(F)F)C3)cc2)C[C@H](C)O1 ZINC000768676603 1302958589 /nfs/dbraw/zinc/95/85/89/1302958589.db2.gz PRJHUHMGTMESSQ-MWABVPJASA-N 2 0 338.442 3.429 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769682848 1303157108 /nfs/dbraw/zinc/15/71/08/1303157108.db2.gz BGLNFLZBCSJLDD-QBPKDAKJSA-N 2 0 341.540 3.388 20 0 EGADRP C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769785524 1303173787 /nfs/dbraw/zinc/17/37/87/1303173787.db2.gz CSKITRLPCACBGH-DFQSSKMNSA-N 2 0 332.488 3.030 20 0 EGADRP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000885920756 1303276471 /nfs/dbraw/zinc/27/64/71/1303276471.db2.gz FYEUJWFYJUTMSK-SFHVURJKSA-N 2 0 338.499 3.371 20 0 EGADRP C[NH+](CC1CCOCC1)[C@H]1CC[C@H]([N@H+](C)CC2CCOCC2)CC1 ZINC000886389264 1303454442 /nfs/dbraw/zinc/45/44/42/1303454442.db2.gz BHWGHBCBCURBHQ-MXVIHJGJSA-N 2 0 338.536 3.014 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)CCO)cc1C[NH+]1CCCCC1 ZINC000775392756 1303954595 /nfs/dbraw/zinc/95/45/95/1303954595.db2.gz AQSLHZRSMJBPDQ-SJORKVTESA-N 2 0 334.504 3.350 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCO)cc1C[NH+]1CCCCC1 ZINC000775392748 1303954632 /nfs/dbraw/zinc/95/46/32/1303954632.db2.gz AQSLHZRSMJBPDQ-DLBZAZTESA-N 2 0 334.504 3.350 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2ccccc2[nH]1 ZINC000775627531 1303996718 /nfs/dbraw/zinc/99/67/18/1303996718.db2.gz NEYDNBLVFGABOC-INIZCTEOSA-N 2 0 328.504 3.092 20 0 EGADRP CC(C)Cc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000776014673 1304079264 /nfs/dbraw/zinc/07/92/64/1304079264.db2.gz BBUJSYGSYUCGPI-LEWJYISDSA-N 2 0 330.516 3.383 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@](C)(C3CCCC3)CC2=O)CC1 ZINC000780442429 1304693782 /nfs/dbraw/zinc/69/37/82/1304693782.db2.gz JLRSYNOKMXQCAH-OAQYLSRUSA-N 2 0 349.563 3.425 20 0 EGADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000781921369 1304891175 /nfs/dbraw/zinc/89/11/75/1304891175.db2.gz CGJNBPPDKNFINK-RBBKRZOGSA-N 2 0 336.479 3.339 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000782378634 1304965271 /nfs/dbraw/zinc/96/52/71/1304965271.db2.gz JQRFOBPVQADFKT-MOPGFXCFSA-N 2 0 343.496 3.259 20 0 EGADRP CCOc1cc2c(cc1OCC)C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC000891522092 1305077677 /nfs/dbraw/zinc/07/76/77/1305077677.db2.gz IYKCCGUMQZWNFP-UHFFFAOYSA-N 2 0 332.488 3.184 20 0 EGADRP CCC(CC)(CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000891550433 1305088166 /nfs/dbraw/zinc/08/81/66/1305088166.db2.gz VFYKRMHXJFCORJ-XYJFISCASA-N 2 0 346.519 3.027 20 0 EGADRP Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891770424 1305160155 /nfs/dbraw/zinc/16/01/55/1305160155.db2.gz JTOQSIIJRNFUMZ-LJQANCHMSA-N 2 0 326.488 3.442 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(NC(=O)C2CC2)cc1 ZINC000892506171 1305412599 /nfs/dbraw/zinc/41/25/99/1305412599.db2.gz WIBBTXMQSKXXMF-NZKYFMOASA-N 2 0 327.472 3.311 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCS(=O)CC2)cc1 ZINC000892570552 1305445785 /nfs/dbraw/zinc/44/57/85/1305445785.db2.gz LXWDFGSVECWSHT-WYTFLKLQSA-N 2 0 334.529 3.062 20 0 EGADRP FC(F)(F)Oc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000892606784 1305467515 /nfs/dbraw/zinc/46/75/15/1305467515.db2.gz CYOILSGFNOIBHQ-HUUCEWRRSA-N 2 0 328.378 3.344 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000893086384 1305698298 /nfs/dbraw/zinc/69/82/98/1305698298.db2.gz OZMWZJZVMPCZHN-BZNIZROVSA-N 2 0 331.287 3.347 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788241256 1305903848 /nfs/dbraw/zinc/90/38/48/1305903848.db2.gz AELANMHHADUUCH-CVEARBPZSA-N 2 0 341.540 3.390 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788241258 1305903921 /nfs/dbraw/zinc/90/39/21/1305903921.db2.gz AELANMHHADUUCH-HZPDHXFCSA-N 2 0 341.540 3.390 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000893488111 1305920772 /nfs/dbraw/zinc/92/07/72/1305920772.db2.gz RKBCVJDAGITBPX-CTNGQTDRSA-N 2 0 336.479 3.073 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]C[C@H]2CCc3ccccc32)c2ccccc2)CC1 ZINC000788445754 1305942527 /nfs/dbraw/zinc/94/25/27/1305942527.db2.gz IRLHWVKJTBATDH-FYYLOGMGSA-N 2 0 349.522 3.295 20 0 EGADRP C[NH+]1CCC(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000788484712 1305953454 /nfs/dbraw/zinc/95/34/54/1305953454.db2.gz GCOGJKDCSXGUKV-KRWDZBQOSA-N 2 0 340.414 3.003 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000788497918 1305956503 /nfs/dbraw/zinc/95/65/03/1305956503.db2.gz LCBHWGGGXKOJLH-HOTGVXAUSA-N 2 0 341.540 3.199 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788497516 1305956989 /nfs/dbraw/zinc/95/69/89/1305956989.db2.gz JDNNUNPIPILHHB-SJORKVTESA-N 2 0 341.540 3.344 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788507536 1305959388 /nfs/dbraw/zinc/95/93/88/1305959388.db2.gz PLMSFRUKRWQUCB-SJORKVTESA-N 2 0 341.540 3.342 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(CC)cc2)[C@H](C)C1 ZINC000789385204 1306152488 /nfs/dbraw/zinc/15/24/88/1306152488.db2.gz XSSHSKAADXGGOI-QMMLZNLJSA-N 2 0 348.531 3.009 20 0 EGADRP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093732 1306213815 /nfs/dbraw/zinc/21/38/15/1306213815.db2.gz HNLAUKYGFDTAHI-YLJYHZDGSA-N 2 0 325.500 3.493 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+]CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000894510817 1308929745 /nfs/dbraw/zinc/92/97/45/1308929745.db2.gz MQKNRZCSUYSGPG-FQEVSTJZSA-N 2 0 333.520 3.008 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC000894522403 1308936331 /nfs/dbraw/zinc/93/63/31/1308936331.db2.gz HXWDBNLRTPMRGW-UHFFFAOYSA-N 2 0 349.425 3.023 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895693869 1309469891 /nfs/dbraw/zinc/46/98/91/1309469891.db2.gz NXNKDKUUYAHJFN-JXFKEZNVSA-N 2 0 338.499 3.155 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000896387309 1309834780 /nfs/dbraw/zinc/83/47/80/1309834780.db2.gz BIHMGDUDVXWWAV-UHFFFAOYSA-N 2 0 339.430 3.130 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896407604 1309845708 /nfs/dbraw/zinc/84/57/08/1309845708.db2.gz SOYDWESXAUFSGX-LPHOPBHVSA-N 2 0 343.515 3.201 20 0 EGADRP Clc1nc2cc(Cl)ccn2c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000796267799 1309948186 /nfs/dbraw/zinc/94/81/86/1309948186.db2.gz YZRCPFZQODHLBK-QWHCGFSZSA-N 2 0 339.270 3.358 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819105274 1319636465 /nfs/dbraw/zinc/63/64/65/1319636465.db2.gz CWEBISCJZDZDQC-QGZVFWFLSA-N 2 0 328.859 3.224 20 0 EGADRP OCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000799732216 1310607656 /nfs/dbraw/zinc/60/76/56/1310607656.db2.gz WHCCKTUBCFRIHH-HXUWFJFHSA-N 2 0 330.516 3.367 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001019094922 1317041595 /nfs/dbraw/zinc/04/15/95/1317041595.db2.gz SLQDZABPDOCPKX-LPHOPBHVSA-N 2 0 348.450 3.208 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019189593 1317092650 /nfs/dbraw/zinc/09/26/50/1317092650.db2.gz SPBZILJXMDAOPE-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001019290001 1317147620 /nfs/dbraw/zinc/14/76/20/1317147620.db2.gz MQAUTUORXQQMGI-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019468008 1317262749 /nfs/dbraw/zinc/26/27/49/1317262749.db2.gz BGUOYPUNJVQFHT-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000957325203 1317285673 /nfs/dbraw/zinc/28/56/73/1317285673.db2.gz IZCTZDHKUNEYKA-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000900480618 1317294115 /nfs/dbraw/zinc/29/41/15/1317294115.db2.gz RCFVZKQKOXYOCF-GOSISDBHSA-N 2 0 344.503 3.264 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)c1 ZINC001019810849 1317437711 /nfs/dbraw/zinc/43/77/11/1317437711.db2.gz NDQBANCWANKVQY-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957544886 1317440100 /nfs/dbraw/zinc/44/01/00/1317440100.db2.gz ANUTUKYOKGMUGX-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000957560207 1317457937 /nfs/dbraw/zinc/45/79/37/1317457937.db2.gz UPWORGNQTKZTIH-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](C[C@@H](C)CC)CC2)[NH+](C)C ZINC000957569024 1317467644 /nfs/dbraw/zinc/46/76/44/1317467644.db2.gz WXCBMHKDVQQJIN-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957617350 1317499073 /nfs/dbraw/zinc/49/90/73/1317499073.db2.gz IDDSBPRLQNBIPJ-LJQANCHMSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000957647620 1317519003 /nfs/dbraw/zinc/51/90/03/1317519003.db2.gz PINYMVOENSSIGC-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001020151229 1317565116 /nfs/dbraw/zinc/56/51/16/1317565116.db2.gz POYWGWSVACEQOD-UAFMIMERSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001020214530 1317596083 /nfs/dbraw/zinc/59/60/83/1317596083.db2.gz VYJMSYVKZPBKSI-SOAMZJECSA-N 2 0 343.515 3.167 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000957759927 1317625457 /nfs/dbraw/zinc/62/54/57/1317625457.db2.gz IFOPFKZIXNUORO-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1)C(C)C ZINC000957778227 1317643576 /nfs/dbraw/zinc/64/35/76/1317643576.db2.gz ZHGDBEGJWFGXHH-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000903110841 1317654592 /nfs/dbraw/zinc/65/45/92/1317654592.db2.gz RNVROIBCIVZCDZ-QUQREYOPSA-N 2 0 339.527 3.397 20 0 EGADRP CC1(C)CCC(C[NH2+][C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001020348802 1317654825 /nfs/dbraw/zinc/65/48/25/1317654825.db2.gz GWLOCCWOGBTUFU-IYARVYRRSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903114032 1317656113 /nfs/dbraw/zinc/65/61/13/1317656113.db2.gz SGAXLZAVUOSRIL-AWEZNQCLSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@@H](NCc1cc(N(C)C)cc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903198273 1317672659 /nfs/dbraw/zinc/67/26/59/1317672659.db2.gz IEVKZJWZYHNFIN-MJGOQNOKSA-N 2 0 338.499 3.148 20 0 EGADRP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000903404826 1317696998 /nfs/dbraw/zinc/69/69/98/1317696998.db2.gz ADPGABBSYGSIGF-XRXFAXGQSA-N 2 0 328.500 3.180 20 0 EGADRP [NH3+]CCCCCC[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000903565254 1317707803 /nfs/dbraw/zinc/70/78/03/1317707803.db2.gz HUHZFWTYHKTNDH-UHFFFAOYSA-N 2 0 345.409 3.463 20 0 EGADRP C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728382 1317726350 /nfs/dbraw/zinc/72/63/50/1317726350.db2.gz ABVOLZLBEXJGFB-WOJBJXKFSA-N 2 0 328.500 3.199 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1c1ccccc1 ZINC000903735425 1317728506 /nfs/dbraw/zinc/72/85/06/1317728506.db2.gz ZUOPKCMZYAZODC-HOJAQTOUSA-N 2 0 328.500 3.271 20 0 EGADRP CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001020502287 1317731514 /nfs/dbraw/zinc/73/15/14/1317731514.db2.gz GQKJJGGTBSNNDX-RKSMEEQHSA-N 2 0 347.547 3.066 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2noc3c2COCC3)CC1 ZINC000929843508 1328718337 /nfs/dbraw/zinc/71/83/37/1328718337.db2.gz XYATUIYOLLBLJI-INIZCTEOSA-N 2 0 347.503 3.224 20 0 EGADRP c1ccc2c(c1)CCN2C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903911031 1317747371 /nfs/dbraw/zinc/74/73/71/1317747371.db2.gz VHCHIAKZUKZCHD-JLYLLQBASA-N 2 0 325.500 3.044 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)c1 ZINC001020591552 1317791965 /nfs/dbraw/zinc/79/19/65/1317791965.db2.gz QVUVDMUJYCVFGF-BHIYHBOVSA-N 2 0 343.515 3.025 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC001020587464 1317792181 /nfs/dbraw/zinc/79/21/81/1317792181.db2.gz HBPJCOGPPBVPPL-VJANTYMQSA-N 2 0 343.515 3.086 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326401 1317831113 /nfs/dbraw/zinc/83/11/13/1317831113.db2.gz ITGODPMGKAJRHA-SFTDATJTSA-N 2 0 329.532 3.220 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904343861 1317833695 /nfs/dbraw/zinc/83/36/95/1317833695.db2.gz YEFMTGNHYUBTCW-FQEVSTJZSA-N 2 0 326.488 3.371 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001020673084 1317850150 /nfs/dbraw/zinc/85/01/50/1317850150.db2.gz HFTSQABLFVDIRG-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000904459611 1317850699 /nfs/dbraw/zinc/85/06/99/1317850699.db2.gz WIXZWJIFWBRTEC-UHFFFAOYSA-N 2 0 346.478 3.365 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1cccc2c1NCC2 ZINC000904473447 1317851982 /nfs/dbraw/zinc/85/19/82/1317851982.db2.gz IUGUSDHLNZPJIU-NQIIRXRSSA-N 2 0 335.451 3.000 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001020679711 1317857488 /nfs/dbraw/zinc/85/74/88/1317857488.db2.gz ZEBKLNTYQUBHCX-MXVIHJGJSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)([NH3+])c1ccc(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000904604708 1317868460 /nfs/dbraw/zinc/86/84/60/1317868460.db2.gz ABCBOBYUEJRJPO-UHFFFAOYSA-N 2 0 344.503 3.409 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000904661180 1317878096 /nfs/dbraw/zinc/87/80/96/1317878096.db2.gz QJUONBUJYRQOCK-GOSISDBHSA-N 2 0 344.503 3.312 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH3+])C1 ZINC000904661387 1317878834 /nfs/dbraw/zinc/87/88/34/1317878834.db2.gz SYEJFKYBDDDKLR-SJORKVTESA-N 2 0 344.503 3.264 20 0 EGADRP CCOCOc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000809754921 1317892367 /nfs/dbraw/zinc/89/23/67/1317892367.db2.gz DCEQUBULVZSBSC-LJQANCHMSA-N 2 0 332.488 3.223 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129034 1317958795 /nfs/dbraw/zinc/95/87/95/1317958795.db2.gz RNPZWPUBJBXGKV-FUHWJXTLSA-N 2 0 329.488 3.338 20 0 EGADRP OCc1cc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc[nH+]1 ZINC000858325238 1328737385 /nfs/dbraw/zinc/73/73/85/1328737385.db2.gz RFOHNGZRCFSTJD-UHFFFAOYSA-N 2 0 333.435 3.049 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2c(C)cc(C)nc2C)c1 ZINC000906378619 1318089978 /nfs/dbraw/zinc/08/99/78/1318089978.db2.gz QJTATCSIGZBMKW-UHFFFAOYSA-N 2 0 325.456 3.389 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2C2CC2)CC1 ZINC000811748188 1318251913 /nfs/dbraw/zinc/25/19/13/1318251913.db2.gz UKHUUKMFLBEZRI-GOSISDBHSA-N 2 0 335.536 3.035 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)CC1 ZINC000811763888 1318257567 /nfs/dbraw/zinc/25/75/67/1318257567.db2.gz KZJAODFCKDYNON-IBGZPJMESA-N 2 0 349.563 3.425 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908500124 1318355735 /nfs/dbraw/zinc/35/57/35/1318355735.db2.gz WJZATNCBCQWTRV-UHFFFAOYSA-N 2 0 349.544 3.194 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624869 1318475920 /nfs/dbraw/zinc/47/59/20/1318475920.db2.gz ZSKMHQSSTHIWIU-IEBWSBKVSA-N 2 0 340.471 3.061 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC(C)(C)C)CC[C@H]32)CC1 ZINC001021666853 1318529292 /nfs/dbraw/zinc/52/92/92/1318529292.db2.gz XLOKJXKOZWOTBX-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691375 1318567276 /nfs/dbraw/zinc/56/72/76/1318567276.db2.gz OWGRJICDVZMDNS-VQTJNVASSA-N 2 0 343.515 3.083 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858491922 1328778272 /nfs/dbraw/zinc/77/82/72/1328778272.db2.gz QNGOWWHSKRJWFC-DLBZAZTESA-N 2 0 345.487 3.416 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960629037 1318755264 /nfs/dbraw/zinc/75/52/64/1318755264.db2.gz PSHJYVHPLOCANV-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCC2)CC[N@@H+]1C ZINC000960643789 1318762737 /nfs/dbraw/zinc/76/27/37/1318762737.db2.gz MQFHRZDZTPHURX-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022069885 1318788762 /nfs/dbraw/zinc/78/87/62/1318788762.db2.gz OJDVPHQNXCARKU-HSALFYBXSA-N 2 0 349.563 3.457 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960678929 1318789335 /nfs/dbraw/zinc/78/93/35/1318789335.db2.gz BSHCVYXZTWGKOH-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001022081420 1318792280 /nfs/dbraw/zinc/79/22/80/1318792280.db2.gz FEVAHRMZGXGKKO-QRVBRYPASA-N 2 0 347.547 3.068 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001022200883 1318839251 /nfs/dbraw/zinc/83/92/51/1318839251.db2.gz ASWBZCYVQNPBDF-WSTZPKSXSA-N 2 0 345.531 3.131 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001022279333 1318872292 /nfs/dbraw/zinc/87/22/92/1318872292.db2.gz WHQPUYDHQBUYCI-ZGXWSNOMSA-N 2 0 345.531 3.131 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960785019 1318885749 /nfs/dbraw/zinc/88/57/49/1318885749.db2.gz CZKVNVTZNGCKTN-IBGZPJMESA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn(C)c2Cl)C[N@@H+]1Cc1ccccc1 ZINC000815131448 1318906124 /nfs/dbraw/zinc/90/61/24/1318906124.db2.gz DINQPRSPJGABDI-WBVHZDCISA-N 2 0 346.906 3.464 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2=CCCCC2)CC[N@@H+]1C ZINC000960824882 1318951659 /nfs/dbraw/zinc/95/16/59/1318951659.db2.gz UXMRLZLCRJUPFL-IHPCNDPISA-N 2 0 347.547 3.140 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCCC2)C1 ZINC000960859988 1319004034 /nfs/dbraw/zinc/00/40/34/1319004034.db2.gz CXRGMWUZHLIWNG-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N2CCCOC2=O)cc1 ZINC000815553029 1319014423 /nfs/dbraw/zinc/01/44/23/1319014423.db2.gz QDKRNHBHFWEQRF-HNNXBMFYSA-N 2 0 333.476 3.272 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001022807458 1319118580 /nfs/dbraw/zinc/11/85/80/1319118580.db2.gz HFTSQABLFVDIRG-YSIASYRMSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022807485 1319119277 /nfs/dbraw/zinc/11/92/77/1319119277.db2.gz HVUJCFGIVKKFKF-ZCNNSNEGSA-N 2 0 347.547 3.377 20 0 EGADRP Cn1c2ccc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cc2oc1=O ZINC000816555808 1319181822 /nfs/dbraw/zinc/18/18/22/1319181822.db2.gz QJHKSRDNKBNVBU-UHFFFAOYSA-N 2 0 343.471 3.018 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000961170688 1319288378 /nfs/dbraw/zinc/28/83/78/1319288378.db2.gz QVBWEORPMJEXHO-CVEARBPZSA-N 2 0 349.544 3.004 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001023274428 1319408246 /nfs/dbraw/zinc/40/82/46/1319408246.db2.gz ZJHLCPBPCMVHSR-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817918600 1319460181 /nfs/dbraw/zinc/46/01/81/1319460181.db2.gz WRUSJEOVYRCRMK-AUUYWEPGSA-N 2 0 325.456 3.013 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000817927859 1319463081 /nfs/dbraw/zinc/46/30/81/1319463081.db2.gz RKIROUOEGRSECS-CWFSZBLJSA-N 2 0 327.472 3.258 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817949202 1319473202 /nfs/dbraw/zinc/47/32/02/1319473202.db2.gz NWFMJKSOPSPFFD-IBGZPJMESA-N 2 0 326.440 3.200 20 0 EGADRP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817966438 1319479647 /nfs/dbraw/zinc/47/96/47/1319479647.db2.gz NYTUNENPIQEAKD-FCEWJHQRSA-N 2 0 339.524 3.144 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1C[NH+]1CCCCC1 ZINC000817972659 1319482744 /nfs/dbraw/zinc/48/27/44/1319482744.db2.gz ZHKSFHCRLYPGRL-ABSDTBQOSA-N 3 0 345.531 3.472 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961364328 1319519850 /nfs/dbraw/zinc/51/98/50/1319519850.db2.gz CHVVIPHSGKKQRK-VQTJNVASSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001023445941 1319545258 /nfs/dbraw/zinc/54/52/58/1319545258.db2.gz FUCLDFSOPGWFIB-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001023445755 1319546450 /nfs/dbraw/zinc/54/64/50/1319546450.db2.gz AOPSJTLYFHMOQV-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961392969 1319548730 /nfs/dbraw/zinc/54/87/30/1319548730.db2.gz NQORVJFQXMFLKC-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961395038 1319550916 /nfs/dbraw/zinc/55/09/16/1319550916.db2.gz VNQSZRFFELJOQC-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP O=C(NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466391 1319564772 /nfs/dbraw/zinc/56/47/72/1319564772.db2.gz BYXDBIDPGFUDPE-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000961418570 1319575266 /nfs/dbraw/zinc/57/52/66/1319575266.db2.gz CFEJXEKULMJIIZ-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000818959911 1319590280 /nfs/dbraw/zinc/59/02/80/1319590280.db2.gz VSCVIXJSIRTBLW-KSSFIOAISA-N 2 0 326.431 3.100 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000818975464 1319601055 /nfs/dbraw/zinc/60/10/55/1319601055.db2.gz XOSWCRJUHCGFAX-INIZCTEOSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)[NH+]1CCCCC1 ZINC000819231273 1319675255 /nfs/dbraw/zinc/67/52/55/1319675255.db2.gz SJLDSOZITHHLJY-DYVFJYSZSA-N 2 0 328.859 3.367 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632333 1319753196 /nfs/dbraw/zinc/75/31/96/1319753196.db2.gz JYCFDPULPVCSCR-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023762116 1319907717 /nfs/dbraw/zinc/90/77/17/1319907717.db2.gz RNIHLXGNGNGMPB-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000822919558 1320136786 /nfs/dbraw/zinc/13/67/86/1320136786.db2.gz JSSDBHXVTJNTHB-KRWDZBQOSA-N 2 0 344.459 3.272 20 0 EGADRP C[NH+](C)CCOc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1F ZINC000839189666 1320890591 /nfs/dbraw/zinc/89/05/91/1320890591.db2.gz GAYIJMJTSZKCLF-UHFFFAOYSA-N 2 0 335.467 3.052 20 0 EGADRP O[C@@H](CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)c1ccccc1 ZINC000839600808 1320943446 /nfs/dbraw/zinc/94/34/46/1320943446.db2.gz GNJRPANIZBQOED-QFIPXVFZSA-N 2 0 347.462 3.481 20 0 EGADRP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000839606906 1320944252 /nfs/dbraw/zinc/94/42/52/1320944252.db2.gz CQDNEZNYIVIWOV-SFHVURJKSA-N 2 0 330.472 3.198 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032839 1321204112 /nfs/dbraw/zinc/20/41/12/1321204112.db2.gz ZYFSXXJFSOMARE-CQSZACIVSA-N 2 0 345.874 3.348 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(CC[NH3+])cc3)CC2)C1 ZINC000841032442 1321204256 /nfs/dbraw/zinc/20/42/56/1321204256.db2.gz SZRQTDBJQJLJRY-DYESRHJHSA-N 3 0 329.532 3.321 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000859214577 1328948069 /nfs/dbraw/zinc/94/80/69/1328948069.db2.gz PLKDFAMLOIOBOA-IBGZPJMESA-N 2 0 334.410 3.192 20 0 EGADRP CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000842473176 1321393685 /nfs/dbraw/zinc/39/36/85/1321393685.db2.gz QKCVXORCDIRKRH-FPOVZHCZSA-N 2 0 342.483 3.101 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC(=O)CC)c(OCC)c2)CC1 ZINC000843054961 1321462719 /nfs/dbraw/zinc/46/27/19/1321462719.db2.gz ACRWSBUBGAZXOT-UHFFFAOYSA-N 2 0 348.487 3.222 20 0 EGADRP c1cc(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)ccc1C[NH+]1CCCC1 ZINC000843174388 1321481539 /nfs/dbraw/zinc/48/15/39/1321481539.db2.gz YJJFJZYNPVMKET-KRWDZBQOSA-N 2 0 326.444 3.017 20 0 EGADRP [NH3+]CC1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CCCC1 ZINC000843174154 1321481703 /nfs/dbraw/zinc/48/17/03/1321481703.db2.gz WCNUPSCAUUMPQC-UHFFFAOYSA-N 2 0 326.444 3.103 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843340274 1321501982 /nfs/dbraw/zinc/50/19/82/1321501982.db2.gz KVVUYJURFAJVBF-REDKMVRKSA-N 2 0 343.298 3.393 20 0 EGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2ccccc2c1 ZINC000843387079 1321509180 /nfs/dbraw/zinc/50/91/80/1321509180.db2.gz DUPJHNUMJLNQTE-OALUTQOASA-N 2 0 337.467 3.100 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000844188571 1321577542 /nfs/dbraw/zinc/57/75/42/1321577542.db2.gz WSDMLNOXPCACMN-ACJLOTCBSA-N 2 0 329.419 3.162 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cncc3ccccc32)C1 ZINC000844910818 1321656958 /nfs/dbraw/zinc/65/69/58/1321656958.db2.gz JTGINSDLDABVRF-YZGWKJHDSA-N 2 0 325.456 3.096 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000846218383 1321777466 /nfs/dbraw/zinc/77/74/66/1321777466.db2.gz MTZFSDZLDIARBF-INIZCTEOSA-N 2 0 341.293 3.342 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC000848720634 1322000342 /nfs/dbraw/zinc/00/03/42/1322000342.db2.gz QFJBHIXXQSZWFC-UXHICEINSA-N 2 0 338.451 3.403 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848881729 1322026599 /nfs/dbraw/zinc/02/65/99/1322026599.db2.gz RNNNAYHAOFEQMM-CMDGGOBGSA-N 2 0 348.487 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000849050620 1322059223 /nfs/dbraw/zinc/05/92/23/1322059223.db2.gz ABSQEHIRPCWFDT-LBPRGKRZSA-N 2 0 344.381 3.396 20 0 EGADRP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000849080690 1322069677 /nfs/dbraw/zinc/06/96/77/1322069677.db2.gz MONNFUGVXABLJK-OAHLLOKOSA-N 2 0 332.398 3.074 20 0 EGADRP CC1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000849102379 1322078890 /nfs/dbraw/zinc/07/88/90/1322078890.db2.gz OSPNYMDLKVWJLX-UHFFFAOYSA-N 2 0 328.504 3.345 20 0 EGADRP CC(C)Oc1ccc(NC(=[NH2+])NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000849108896 1322081496 /nfs/dbraw/zinc/08/14/96/1322081496.db2.gz CCNIVSYCVKRSDV-UHFFFAOYSA-N 2 0 330.476 3.284 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c(C)c1 ZINC000921623985 1322365557 /nfs/dbraw/zinc/36/55/57/1322365557.db2.gz PWJLNTARDQJCDZ-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP CCCC[N@H+](C[C@@H]1CCNC(=O)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033654 1329033910 /nfs/dbraw/zinc/03/39/10/1329033910.db2.gz JNWLXFQJOPJZRR-INIZCTEOSA-N 2 0 337.552 3.314 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000923361974 1322740890 /nfs/dbraw/zinc/74/08/90/1322740890.db2.gz JEVJGAMSOVHEER-OGHNNQOOSA-N 2 0 343.298 3.348 20 0 EGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000923444974 1322752500 /nfs/dbraw/zinc/75/25/00/1322752500.db2.gz IXZGXYBPTYKPPR-INIZCTEOSA-N 2 0 343.496 3.140 20 0 EGADRP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923524946 1322769360 /nfs/dbraw/zinc/76/93/60/1322769360.db2.gz BANZDYWERLLRBJ-BBRMVZONSA-N 2 0 340.920 3.177 20 0 EGADRP Cc1csc(C[C@@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000923552370 1322775941 /nfs/dbraw/zinc/77/59/41/1322775941.db2.gz XDBSBLUJMOSDLX-HNNXBMFYSA-N 2 0 327.497 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000923887366 1322837245 /nfs/dbraw/zinc/83/72/45/1322837245.db2.gz VWDHJXVKDJULNT-MRXNPFEDSA-N 2 0 344.459 3.222 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnc2)c1 ZINC000924574686 1323058959 /nfs/dbraw/zinc/05/89/59/1323058959.db2.gz WUKGXPHEYXYANP-DLBZAZTESA-N 2 0 327.476 3.182 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000924573002 1323058996 /nfs/dbraw/zinc/05/89/96/1323058996.db2.gz NZRBAMCGKSOCNJ-KLAILNCOSA-N 2 0 339.524 3.144 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001024039099 1323090991 /nfs/dbraw/zinc/09/09/91/1323090991.db2.gz OMNMMBFYPXFGCE-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000924667196 1323102679 /nfs/dbraw/zinc/10/26/79/1323102679.db2.gz HYALRNLVXROCSI-HLIPFELVSA-N 2 0 343.515 3.065 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001024156367 1323178855 /nfs/dbraw/zinc/17/88/55/1323178855.db2.gz MEGJEIIURWKYNE-IBGZPJMESA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924958707 1323228915 /nfs/dbraw/zinc/22/89/15/1323228915.db2.gz GJSNVVSDDAHGBY-IRXDYDNUSA-N 2 0 327.476 3.038 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924963399 1323230891 /nfs/dbraw/zinc/23/08/91/1323230891.db2.gz JDOKWEVZODSBKA-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(-c2ccccc2)no1 ZINC000925023417 1323247475 /nfs/dbraw/zinc/24/74/75/1323247475.db2.gz NAHQFPKXPCXYPK-SJLPKXTDSA-N 2 0 343.471 3.229 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024437643 1323396951 /nfs/dbraw/zinc/39/69/51/1323396951.db2.gz UKFJWWYOMWKSRX-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024437340 1323397405 /nfs/dbraw/zinc/39/74/05/1323397405.db2.gz QQTSXTWBQBENBM-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440159 1323401690 /nfs/dbraw/zinc/40/16/90/1323401690.db2.gz LKGRUUAUMRCXEE-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC(C)(C)C)CC[N@@H+]1C ZINC001024448179 1323407090 /nfs/dbraw/zinc/40/70/90/1323407090.db2.gz FBWAISFUSLDSSH-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521078 1323468800 /nfs/dbraw/zinc/46/88/00/1323468800.db2.gz OKDPKEWNQDRGHG-WBVHZDCISA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CC1 ZINC001024692938 1323609543 /nfs/dbraw/zinc/60/95/43/1323609543.db2.gz UIVWDILONIBIRE-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024692608 1323609804 /nfs/dbraw/zinc/60/98/04/1323609804.db2.gz PJRAUZKPJIGZGQ-RTBURBONSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024959035 1323801258 /nfs/dbraw/zinc/80/12/58/1323801258.db2.gz JLZDHJIGPDDHKC-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001024981942 1323812038 /nfs/dbraw/zinc/81/20/38/1323812038.db2.gz ANDQYZWKXXOVOP-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)cs1 ZINC001025003660 1323821353 /nfs/dbraw/zinc/82/13/53/1323821353.db2.gz XCIWOJQOBKTTCK-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]2C1 ZINC000931433855 1329116511 /nfs/dbraw/zinc/11/65/11/1329116511.db2.gz JNVBQBYNFRHEHY-CABCVRRESA-N 2 0 328.378 3.011 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025160356 1323930622 /nfs/dbraw/zinc/93/06/22/1323930622.db2.gz IKRRUGJPYKDMGR-RTBURBONSA-N 2 0 343.515 3.123 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025258657 1324067912 /nfs/dbraw/zinc/06/79/12/1324067912.db2.gz LGBYJXOBQUYIGC-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293894 1324121149 /nfs/dbraw/zinc/12/11/49/1324121149.db2.gz GMOORCAAQBBHBI-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025493080 1324344487 /nfs/dbraw/zinc/34/44/87/1324344487.db2.gz KDZMOSKTCMUZTG-PKOBYXMFSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001025525406 1324371558 /nfs/dbraw/zinc/37/15/58/1324371558.db2.gz NWARCPUFKMBELE-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001026497169 1324848551 /nfs/dbraw/zinc/84/85/51/1324848551.db2.gz QVZCQRBZNZZRFC-GHBBCFCZSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026504172 1324853630 /nfs/dbraw/zinc/85/36/30/1324853630.db2.gz XHILLLOFBCUXRJ-ACBHZAAOSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001026540203 1324877275 /nfs/dbraw/zinc/87/72/75/1324877275.db2.gz DRGZOTAJGITKPY-UHFFFAOYSA-N 2 0 347.547 3.378 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000925157306 1325068412 /nfs/dbraw/zinc/06/84/12/1325068412.db2.gz QPEAORNHIFPXPC-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925227527 1325087963 /nfs/dbraw/zinc/08/79/63/1325087963.db2.gz USZDKZPSJSLGKT-RTNRFSENSA-N 2 0 336.545 3.479 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026935621 1325092081 /nfs/dbraw/zinc/09/20/81/1325092081.db2.gz PWJCUUPVALWPAH-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026935619 1325092137 /nfs/dbraw/zinc/09/21/37/1325092137.db2.gz PWJCUUPVALWPAH-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C(=O)N1CCCC1 ZINC000925417261 1325146551 /nfs/dbraw/zinc/14/65/51/1325146551.db2.gz FXHLSMSORAHXSA-APWZRJJASA-N 2 0 331.504 3.046 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027014412 1325155331 /nfs/dbraw/zinc/15/53/31/1325155331.db2.gz BMWUSJOXWUDFDS-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000925475741 1325166329 /nfs/dbraw/zinc/16/63/29/1325166329.db2.gz HLNDIQFENWLCRA-GOSISDBHSA-N 2 0 326.440 3.418 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506097 1325182428 /nfs/dbraw/zinc/18/24/28/1325182428.db2.gz XMGQDKJIHXVWQH-XJGBBZTQSA-N 2 0 327.516 3.331 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963385242 1325185036 /nfs/dbraw/zinc/18/50/36/1325185036.db2.gz BFMDCADJWFXIRC-CTWPCTMYSA-N 2 0 335.536 3.020 20 0 EGADRP O=C1CCCN1c1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925546419 1325201285 /nfs/dbraw/zinc/20/12/85/1325201285.db2.gz HHFFXCSJNOVYBF-PMACEKPBSA-N 2 0 341.499 3.071 20 0 EGADRP CCNC(=O)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925550718 1325203213 /nfs/dbraw/zinc/20/32/13/1325203213.db2.gz NTWORAAECIKSJR-LJQANCHMSA-N 2 0 325.456 3.006 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925559351 1325209083 /nfs/dbraw/zinc/20/90/83/1325209083.db2.gz TXVFDKRXYPQXLX-ZTFGCOKTSA-N 2 0 333.907 3.334 20 0 EGADRP Cn1c2ccc(F)cc2nc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925567087 1325213767 /nfs/dbraw/zinc/21/37/67/1325213767.db2.gz ATOARDNUJTUZQA-MRXNPFEDSA-N 2 0 326.419 3.282 20 0 EGADRP CC(C)C[C@H](C[NH3+])Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000854138856 1325217829 /nfs/dbraw/zinc/21/78/29/1325217829.db2.gz WLNKANWVVZZQOP-KRWDZBQOSA-N 2 0 342.487 3.496 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000925588181 1325222192 /nfs/dbraw/zinc/22/21/92/1325222192.db2.gz OOYLNGOKRUWHKI-RLLQIKCJSA-N 2 0 332.536 3.089 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccccc1 ZINC000925599690 1325228849 /nfs/dbraw/zinc/22/88/49/1325228849.db2.gz SQTSVAWLCOXJLT-SFHVURJKSA-N 2 0 345.874 3.140 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925655066 1325250331 /nfs/dbraw/zinc/25/03/31/1325250331.db2.gz UHVRLLOFTMGQLV-FCEUIQTBSA-N 2 0 341.543 3.266 20 0 EGADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925705475 1325265741 /nfs/dbraw/zinc/26/57/41/1325265741.db2.gz CDQCGPWFPMMPFQ-XSDIEEQYSA-N 2 0 328.500 3.317 20 0 EGADRP COc1cccc([C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)OC)c1 ZINC000925719716 1325269119 /nfs/dbraw/zinc/26/91/19/1325269119.db2.gz BZXFLRFHDOGZOS-VQTJNVASSA-N 2 0 328.456 3.453 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000925740288 1325277672 /nfs/dbraw/zinc/27/76/72/1325277672.db2.gz HURHBWFBBSRWMJ-HUUCEWRRSA-N 2 0 341.293 3.386 20 0 EGADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963519845 1325289341 /nfs/dbraw/zinc/28/93/41/1325289341.db2.gz NSAHDVFPGJNPGF-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872497 1325337152 /nfs/dbraw/zinc/33/71/52/1325337152.db2.gz VDDIQJHUCBGJCS-LVCYWYKZSA-N 2 0 335.451 3.305 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000926167275 1325455460 /nfs/dbraw/zinc/45/54/60/1325455460.db2.gz YTCGRXSMQSIOSS-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000964205965 1325487333 /nfs/dbraw/zinc/48/73/33/1325487333.db2.gz AQEGHWPGWJFNNX-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP CSC1(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC[NH+](C)CC1 ZINC000926447355 1325558411 /nfs/dbraw/zinc/55/84/11/1325558411.db2.gz AYWGVFOQXXEJOL-MJGOQNOKSA-N 2 0 347.572 3.066 20 0 EGADRP C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)C(C)(C)C[NH+](C)C ZINC000857136374 1325578163 /nfs/dbraw/zinc/57/81/63/1325578163.db2.gz IKFSOTOGQOIVIT-QFBILLFUSA-N 2 0 345.531 3.202 20 0 EGADRP COC(=O)Cc1ccccc1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926680140 1327662511 /nfs/dbraw/zinc/66/25/11/1327662511.db2.gz ZGPHSJTZXSFKMD-UHFFFAOYSA-N 2 0 332.488 3.002 20 0 EGADRP CCc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)c1 ZINC001027460369 1327705488 /nfs/dbraw/zinc/70/54/88/1327705488.db2.gz JGAIMPVVKMUFKN-VQTJNVASSA-N 2 0 345.531 3.012 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000927021166 1327824088 /nfs/dbraw/zinc/82/40/88/1327824088.db2.gz WMRANIICUKOOBF-RLLQIKCJSA-N 2 0 343.515 3.373 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001027546339 1327851686 /nfs/dbraw/zinc/85/16/86/1327851686.db2.gz MDNNCDLPJPKKTF-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001027561746 1327879053 /nfs/dbraw/zinc/87/90/53/1327879053.db2.gz AKTHYQQWGQUQBW-VQTJNVASSA-N 2 0 345.531 3.004 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965812297 1328036562 /nfs/dbraw/zinc/03/65/62/1328036562.db2.gz AWBPOFAOARAMRJ-MBEFBZSESA-N 2 0 347.547 3.068 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680651 1328078387 /nfs/dbraw/zinc/07/83/87/1328078387.db2.gz IKNLGPOINRVPKI-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027878713 1328346010 /nfs/dbraw/zinc/34/60/10/1328346010.db2.gz HKTWAGILSKMBQV-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884490 1328352337 /nfs/dbraw/zinc/35/23/37/1328352337.db2.gz ADPDNEFXNKWUBJ-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027917906 1328394118 /nfs/dbraw/zinc/39/41/18/1328394118.db2.gz HOECPUAXBGTFQJ-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001027924073 1328402892 /nfs/dbraw/zinc/40/28/92/1328402892.db2.gz CUNLZBRPTFYMHS-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000863542108 1329561937 /nfs/dbraw/zinc/56/19/37/1329561937.db2.gz FQZIUBMFZNAIGU-XUVXKRRUSA-N 2 0 329.488 3.070 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc2)cc1 ZINC000863692334 1329575574 /nfs/dbraw/zinc/57/55/74/1329575574.db2.gz VWXMAVVDPCSPEJ-FQEVSTJZSA-N 2 0 332.451 3.373 20 0 EGADRP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865484578 1329703975 /nfs/dbraw/zinc/70/39/75/1329703975.db2.gz YYFGTDLJHPXNJU-HOTGVXAUSA-N 2 0 348.441 3.328 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000865717497 1329732227 /nfs/dbraw/zinc/73/22/27/1329732227.db2.gz ZSGOTOIJYNXQOH-UHFFFAOYSA-N 2 0 340.309 3.444 20 0 EGADRP c1cc(C[NH2+][C@H]2CCOC23CCOCC3)cc(C[NH+]2CCCCC2)c1 ZINC000934400895 1329975508 /nfs/dbraw/zinc/97/55/08/1329975508.db2.gz FGGGNFVUJOHVIR-FQEVSTJZSA-N 2 0 344.499 3.100 20 0 EGADRP C[C@H]1C[C@H](CCNC(=O)CC[NH2+]C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000935058008 1330025925 /nfs/dbraw/zinc/02/59/25/1330025925.db2.gz FLQQDOJKUMASGD-HKUYNNGSSA-N 2 0 345.531 3.182 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940854172 1331222079 /nfs/dbraw/zinc/22/20/79/1331222079.db2.gz YHOBOXHNRVXPMC-GOSISDBHSA-N 2 0 342.487 3.273 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941139604 1331351861 /nfs/dbraw/zinc/35/18/61/1331351861.db2.gz WPAUASVTNXBKKC-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102371 1331831247 /nfs/dbraw/zinc/83/12/47/1331831247.db2.gz XVPBETRSECRWBB-RDJZCZTQSA-N 2 0 349.544 3.216 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258546 1331890669 /nfs/dbraw/zinc/89/06/69/1331890669.db2.gz PULGTHJNZAMLAP-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859447 1332918027 /nfs/dbraw/zinc/91/80/27/1332918027.db2.gz VGZZGDQWNDVDOA-ZRNYENFQSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902371 1332928423 /nfs/dbraw/zinc/92/84/23/1332928423.db2.gz MOLVUSHEXLLRRL-YSTOQKLRSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC000947309600 1333084015 /nfs/dbraw/zinc/08/40/15/1333084015.db2.gz GJYQXMWODTVOQG-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC000947361802 1333103209 /nfs/dbraw/zinc/10/32/09/1333103209.db2.gz RLCSGFPENVLMTB-PBHICJAKSA-N 2 0 349.544 3.193 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCC(C)(C)C ZINC000947505394 1333149100 /nfs/dbraw/zinc/14/91/00/1333149100.db2.gz ARMSLUIBOBOJKS-RDJZCZTQSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC(C)(C)C ZINC000947776064 1333258711 /nfs/dbraw/zinc/25/87/11/1333258711.db2.gz TVMSRKKGZGOULU-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434975 1333523575 /nfs/dbraw/zinc/52/35/75/1333523575.db2.gz HCRITCONWJENOD-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439578 1333526360 /nfs/dbraw/zinc/52/63/60/1333526360.db2.gz SBUOJUHTTAGHDV-UYAOXDASSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000948589388 1333586737 /nfs/dbraw/zinc/58/67/37/1333586737.db2.gz APRRTWBDCQEWAN-NKPXIPJASA-N 2 0 346.862 3.013 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620880 1333599546 /nfs/dbraw/zinc/59/95/46/1333599546.db2.gz KABXACCKPPVFSL-RDJZCZTQSA-N 2 0 346.450 3.009 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642833 1333609180 /nfs/dbraw/zinc/60/91/80/1333609180.db2.gz OJCUHVWBCAYAPQ-VQTJNVASSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726697 1333648970 /nfs/dbraw/zinc/64/89/70/1333648970.db2.gz XUOVJEHJMBHRQD-AEFFLSMTSA-N 2 0 349.519 3.314 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000948760220 1333665058 /nfs/dbraw/zinc/66/50/58/1333665058.db2.gz WBJDPHUMNGHSKF-HXUWFJFHSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[NH+](CCC2CCCCCC2)CC1)[NH+](C)C ZINC000950088685 1334012521 /nfs/dbraw/zinc/01/25/21/1334012521.db2.gz KEJTXLFMBNXHFQ-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000950524456 1334084927 /nfs/dbraw/zinc/08/49/27/1334084927.db2.gz PWPXRSYBFHQSGP-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000952444587 1334461282 /nfs/dbraw/zinc/46/12/82/1334461282.db2.gz WUQDGGXHSYVPHU-QUCCMNQESA-N 2 0 347.547 3.116 20 0 EGADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CCC(C)C)CC[C@@H]2C)ccc2c[nH+]cn21 ZINC000967086929 1335658517 /nfs/dbraw/zinc/65/85/17/1335658517.db2.gz MOYZQFNYUOKPFC-HNAYVOBHSA-N 2 0 342.487 3.129 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266056 1335681262 /nfs/dbraw/zinc/68/12/62/1335681262.db2.gz ZIOBCIXEYYZJHE-BEFAXECRSA-N 2 0 342.487 3.211 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266057 1335681452 /nfs/dbraw/zinc/68/14/52/1335681452.db2.gz ZIOBCIXEYYZJHE-DNVCBOLYSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC000968673384 1336004924 /nfs/dbraw/zinc/00/49/24/1336004924.db2.gz VRBXOPHZBBJKGF-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913608 1336087010 /nfs/dbraw/zinc/08/70/10/1336087010.db2.gz HYPFJWLWTPEVFE-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC000968916177 1336087125 /nfs/dbraw/zinc/08/71/25/1336087125.db2.gz YGOIRMSMOSDADA-MSOLQXFVSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914532 1336087174 /nfs/dbraw/zinc/08/71/74/1336087174.db2.gz WLNXYGAUVNGIKX-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(C)C ZINC000968928057 1336092260 /nfs/dbraw/zinc/09/22/60/1336092260.db2.gz ASUQNIZHKONYOD-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000968928920 1336093743 /nfs/dbraw/zinc/09/37/43/1336093743.db2.gz XHYMKNWNNGNBBC-VQTJNVASSA-N 2 0 349.563 3.434 20 0 EGADRP O=C(NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)c1ccn2c[nH+]cc2c1 ZINC000968936125 1336095656 /nfs/dbraw/zinc/09/56/56/1336095656.db2.gz BITDJWQIPZGCOH-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CC1CCC1)c1ccc2c[nH+]cn2c1 ZINC000968955396 1336102116 /nfs/dbraw/zinc/10/21/16/1336102116.db2.gz ULUKSYRNFSEGFN-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000969594981 1336226349 /nfs/dbraw/zinc/22/63/49/1336226349.db2.gz DIZLJVHHZITYGK-KZNAEPCWSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000969636405 1336231690 /nfs/dbraw/zinc/23/16/90/1336231690.db2.gz MECMASPQUKILEP-QGTPRVQTSA-N 2 0 349.906 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969794714 1336248268 /nfs/dbraw/zinc/24/82/68/1336248268.db2.gz ZKRJOKHLWGIOJP-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000969968829 1336267599 /nfs/dbraw/zinc/26/75/99/1336267599.db2.gz LACJMRSRICEOFK-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000970164732 1336287011 /nfs/dbraw/zinc/28/70/11/1336287011.db2.gz WMYNKQSNOAHCJM-HZPDHXFCSA-N 2 0 348.450 3.146 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001005478787 1336358349 /nfs/dbraw/zinc/35/83/49/1336358349.db2.gz ZKURJNRLPYZOKH-GOSISDBHSA-N 2 0 349.544 3.045 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005594504 1336377209 /nfs/dbraw/zinc/37/72/09/1336377209.db2.gz ZWTFWOGBDZJPMH-FQEVSTJZSA-N 2 0 347.547 3.284 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](CC3CC(C)C3)CC2)C1 ZINC001005870364 1336413230 /nfs/dbraw/zinc/41/32/30/1336413230.db2.gz JGGLDFZMLGVGQG-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001005992028 1336435426 /nfs/dbraw/zinc/43/54/26/1336435426.db2.gz RKCHWJUCQKZESY-SFHVURJKSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001005991905 1336435691 /nfs/dbraw/zinc/43/56/91/1336435691.db2.gz QGGBTBURZBIWOP-ZWKOTPCHSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006001420 1336436029 /nfs/dbraw/zinc/43/60/29/1336436029.db2.gz NPMAHUYCVJZIQJ-FXAWDEMLSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006291681 1336484372 /nfs/dbraw/zinc/48/43/72/1336484372.db2.gz HUIUEMCKKYDWKH-QZTJIDSGSA-N 2 0 343.515 3.012 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001006923967 1336608002 /nfs/dbraw/zinc/60/80/02/1336608002.db2.gz GRZNCMUBTWLJMO-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007501309 1336658753 /nfs/dbraw/zinc/65/87/53/1336658753.db2.gz XKARZDPLYRQTCD-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001007648874 1336683805 /nfs/dbraw/zinc/68/38/05/1336683805.db2.gz VFUQUJYUEXHRSZ-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001007801976 1336703419 /nfs/dbraw/zinc/70/34/19/1336703419.db2.gz VMRPUSGTIQIVLZ-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007946758 1336737181 /nfs/dbraw/zinc/73/71/81/1336737181.db2.gz DJAPEXYZKSBGKA-GOSISDBHSA-N 2 0 338.455 3.029 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008164157 1336783184 /nfs/dbraw/zinc/78/31/84/1336783184.db2.gz RPSZRZJUJDDNNU-PKOBYXMFSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008537498 1336877460 /nfs/dbraw/zinc/87/74/60/1336877460.db2.gz DCMDHLBIBOLZBM-XLIONFOSSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008750586 1336920235 /nfs/dbraw/zinc/92/02/35/1336920235.db2.gz WTBNHECCIHCVMK-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001008757631 1336920957 /nfs/dbraw/zinc/92/09/57/1336920957.db2.gz YVYFVLZTCLKINO-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001008763754 1336922492 /nfs/dbraw/zinc/92/24/92/1336922492.db2.gz ANXRLFKQTCSWSN-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001009043375 1336959767 /nfs/dbraw/zinc/95/97/67/1336959767.db2.gz BABURLYXGCYXTH-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204100 1336986223 /nfs/dbraw/zinc/98/62/23/1336986223.db2.gz UFHBKPVAZSPMIW-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680162 1337059626 /nfs/dbraw/zinc/05/96/26/1337059626.db2.gz FMVAZJPRWLCRNI-IRXDYDNUSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014723746 1337885353 /nfs/dbraw/zinc/88/53/53/1337885353.db2.gz RGVGWWXRDDQLAU-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114736 1338023366 /nfs/dbraw/zinc/02/33/66/1338023366.db2.gz RUFCEBRPXBAAIY-FUHWJXTLSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001015603454 1338203943 /nfs/dbraw/zinc/20/39/43/1338203943.db2.gz TUFHEJMAMVIBKP-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796800 1338315069 /nfs/dbraw/zinc/31/50/69/1338315069.db2.gz RAUNPJFLVZOBJB-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015796041 1338315729 /nfs/dbraw/zinc/31/57/29/1338315729.db2.gz UZYIHMWKJFFSAP-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001015898253 1338352470 /nfs/dbraw/zinc/35/24/70/1338352470.db2.gz ACIZOSPWQPGWJH-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015974109 1338387563 /nfs/dbraw/zinc/38/75/63/1338387563.db2.gz YYSQATKUWDUOPW-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001015976393 1338388350 /nfs/dbraw/zinc/38/83/50/1338388350.db2.gz MLTATMCHKIHIGJ-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251377 1338524926 /nfs/dbraw/zinc/52/49/26/1338524926.db2.gz LJUULKVKBFFTQB-MSOLQXFVSA-N 2 0 349.906 3.077 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2)[NH+]1CCCCC1 ZINC001016622215 1338667816 /nfs/dbraw/zinc/66/78/16/1338667816.db2.gz VKCRAJRMJGPFSZ-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016652015 1338679260 /nfs/dbraw/zinc/67/92/60/1338679260.db2.gz NIHGZEKRHJWQNC-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016688168 1338690738 /nfs/dbraw/zinc/69/07/38/1338690738.db2.gz OSXIGPJPZMFXDM-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@H+](C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1)CC1CCCCCC1 ZINC001017070472 1338846965 /nfs/dbraw/zinc/84/69/65/1338846965.db2.gz FYGGTIXYHLKSEI-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017152021 1338901476 /nfs/dbraw/zinc/90/14/76/1338901476.db2.gz KDMQYNJCPJLTNZ-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001017154625 1338905576 /nfs/dbraw/zinc/90/55/76/1338905576.db2.gz VXOLPVGZCHRGEP-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001017194198 1338939559 /nfs/dbraw/zinc/93/95/59/1338939559.db2.gz QYCQMAHDHVNYIJ-ICSRJNTNSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001017211817 1338956585 /nfs/dbraw/zinc/95/65/85/1338956585.db2.gz LQXQUTWQSXPHNH-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001017210160 1338957197 /nfs/dbraw/zinc/95/71/97/1338957197.db2.gz XGOBFYBBEVMJQA-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017839336 1339429315 /nfs/dbraw/zinc/42/93/15/1339429315.db2.gz KVWYTUJEHANZJX-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccsc1 ZINC001028181111 1340470978 /nfs/dbraw/zinc/47/09/78/1340470978.db2.gz NTEWTMWJFZGFRC-QZTJIDSGSA-N 2 0 349.544 3.092 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001028335279 1340573041 /nfs/dbraw/zinc/57/30/41/1340573041.db2.gz REARZDSLCOFSKL-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754799 1340790987 /nfs/dbraw/zinc/79/09/87/1340790987.db2.gz AIDYETYRBFQDEM-AZUAARDMSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001028765697 1340798855 /nfs/dbraw/zinc/79/88/55/1340798855.db2.gz CKFFYFWDZANFFG-IHPCNDPISA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845918 1340857729 /nfs/dbraw/zinc/85/77/29/1340857729.db2.gz TXMQKIRCVGLNKA-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)C)C1 ZINC001028918443 1340884178 /nfs/dbraw/zinc/88/41/78/1340884178.db2.gz IATOUBSCXJJJCL-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001029003226 1340905404 /nfs/dbraw/zinc/90/54/04/1340905404.db2.gz JFHURPIZKYSXHN-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001029169177 1340947607 /nfs/dbraw/zinc/94/76/07/1340947607.db2.gz BZBQQJBBLPHUPE-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001029173682 1340948607 /nfs/dbraw/zinc/94/86/07/1340948607.db2.gz QJAAHNXFGKDKCM-QZTJIDSGSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001029550779 1341010849 /nfs/dbraw/zinc/01/08/49/1341010849.db2.gz YRCBODPDABARDQ-HSALFYBXSA-N 2 0 347.547 3.282 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029599215 1341019192 /nfs/dbraw/zinc/01/91/92/1341019192.db2.gz WGCYSOHRJOMAKK-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674136 1341039751 /nfs/dbraw/zinc/03/97/51/1341039751.db2.gz CQMIKLYSSYGGAK-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029738732 1341059440 /nfs/dbraw/zinc/05/94/40/1341059440.db2.gz CQCCCSLNSCBEPH-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1)CC1CCCCC1 ZINC001029759019 1341064554 /nfs/dbraw/zinc/06/45/54/1341064554.db2.gz JNYDWPUIVSTWJV-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001029858377 1341098067 /nfs/dbraw/zinc/09/80/67/1341098067.db2.gz BOXQMIFPZXRBKS-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001030020076 1341159697 /nfs/dbraw/zinc/15/96/97/1341159697.db2.gz LHZIEOIPYZVZFD-FHLIZLRMSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001030019284 1341159736 /nfs/dbraw/zinc/15/97/36/1341159736.db2.gz HBMHUDYZLMTMQE-MNEFBYGVSA-N 2 0 349.494 3.054 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001030025644 1341160579 /nfs/dbraw/zinc/16/05/79/1341160579.db2.gz GMAGONBGIYIZTQ-QWFCFKBJSA-N 2 0 343.515 3.039 20 0 EGADRP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1)[NH+]1CCCCCC1 ZINC001032664440 1341576139 /nfs/dbraw/zinc/57/61/39/1341576139.db2.gz BTUNXJTXZWTVPO-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083316 1341718998 /nfs/dbraw/zinc/71/89/98/1341718998.db2.gz ZPVWONIXQDXLPU-UYAOXDASSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033355267 1341794980 /nfs/dbraw/zinc/79/49/80/1341794980.db2.gz WTPZSVONPWUPTL-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001033530455 1341860179 /nfs/dbraw/zinc/86/01/79/1341860179.db2.gz BCHYOMBBZISELH-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)C)C2)o1 ZINC001033699009 1341966167 /nfs/dbraw/zinc/96/61/67/1341966167.db2.gz HVJRJLYIENSKLA-QGZVFWFLSA-N 2 0 349.519 3.314 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033826504 1342027584 /nfs/dbraw/zinc/02/75/84/1342027584.db2.gz QKKLNUADLJVHOU-ROUUACIJSA-N 2 0 337.552 3.218 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033826526 1342028497 /nfs/dbraw/zinc/02/84/97/1342028497.db2.gz QRHDPOCDIUQYBM-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033898778 1342070697 /nfs/dbraw/zinc/07/06/97/1342070697.db2.gz SMVKCSRINGQSFW-IBGZPJMESA-N 2 0 342.487 3.307 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251022 1342347768 /nfs/dbraw/zinc/34/77/68/1342347768.db2.gz UZJCDQUDMVUJTE-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378578 1342448067 /nfs/dbraw/zinc/44/80/67/1342448067.db2.gz VOZICKZWTDQQRW-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034395442 1342463366 /nfs/dbraw/zinc/46/33/66/1342463366.db2.gz ZHQCFOOHUQPPIK-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444323 1342504262 /nfs/dbraw/zinc/50/42/62/1342504262.db2.gz FIAFRXOJQYCVPP-HXUWFJFHSA-N 2 0 343.515 3.299 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444964 1342505033 /nfs/dbraw/zinc/50/50/33/1342505033.db2.gz OCCWIFVAKUCQGJ-RBUKOAKNSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474545 1342529757 /nfs/dbraw/zinc/52/97/57/1342529757.db2.gz LQXYNXYMDUWBJI-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479353 1342536147 /nfs/dbraw/zinc/53/61/47/1342536147.db2.gz XFBNRVXZFBFNOA-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(C)C)C1 ZINC001034479751 1342536285 /nfs/dbraw/zinc/53/62/85/1342536285.db2.gz BBJPMOXCWJYQAF-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034526720 1342583240 /nfs/dbraw/zinc/58/32/40/1342583240.db2.gz AIOORSYEDKOGHH-AZUAARDMSA-N 2 0 343.515 3.123 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034528542 1342586002 /nfs/dbraw/zinc/58/60/02/1342586002.db2.gz OZZSTBQYXMWKRQ-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542055 1342601724 /nfs/dbraw/zinc/60/17/24/1342601724.db2.gz UFMSJSZNNGCJSJ-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001034607114 1342644812 /nfs/dbraw/zinc/64/48/12/1342644812.db2.gz LDRDYKWEUYXEDE-LWYYNNOASA-N 2 0 343.515 3.249 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001034606569 1342645072 /nfs/dbraw/zinc/64/50/72/1342645072.db2.gz AWMSRIHITUJADT-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001034606844 1342645107 /nfs/dbraw/zinc/64/51/07/1342645107.db2.gz GDIAGGWHNGRWGQ-LEAZDLGRSA-N 2 0 343.515 3.167 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034659669 1342676162 /nfs/dbraw/zinc/67/61/62/1342676162.db2.gz WZBXEQYPTCSKSM-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034736657 1342729144 /nfs/dbraw/zinc/72/91/44/1342729144.db2.gz ZOBSCQGKUDYGLI-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034738653 1342729974 /nfs/dbraw/zinc/72/99/74/1342729974.db2.gz VIBUBVZTSYIKDW-VBSBHUPXSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034796008 1342762842 /nfs/dbraw/zinc/76/28/42/1342762842.db2.gz BDUGMZXXKMGAHJ-HNBVOPMISA-N 2 0 349.563 3.457 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1)C1CCC1 ZINC001034957844 1342852826 /nfs/dbraw/zinc/85/28/26/1342852826.db2.gz LSQZBKUDGHADPB-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185650 1343000429 /nfs/dbraw/zinc/00/04/29/1343000429.db2.gz YGXBSKOTDILOCR-LJQANCHMSA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229283 1343050339 /nfs/dbraw/zinc/05/03/39/1343050339.db2.gz FWCVGYVRKHSCSQ-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244224 1343065167 /nfs/dbraw/zinc/06/51/67/1343065167.db2.gz LYTMSORFGAUCST-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810415 1343210206 /nfs/dbraw/zinc/21/02/06/1343210206.db2.gz KKLRTKWNVYRPGB-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035824118 1343215983 /nfs/dbraw/zinc/21/59/83/1343215983.db2.gz RUEYXSSLOHSWGN-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035856792 1343233209 /nfs/dbraw/zinc/23/32/09/1343233209.db2.gz COBYKSHAROSOJS-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036139228 1343324456 /nfs/dbraw/zinc/32/44/56/1343324456.db2.gz XOUGDZNTFGSNJJ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036139226 1343324516 /nfs/dbraw/zinc/32/45/16/1343324516.db2.gz XOUGDZNTFGSNJJ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001036180547 1343349710 /nfs/dbraw/zinc/34/97/10/1343349710.db2.gz ULYITDWIFYJRNT-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001036407381 1343468634 /nfs/dbraw/zinc/46/86/34/1343468634.db2.gz VXAQFJQZOINEMN-CABCVRRESA-N 2 0 337.533 3.048 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036414526 1343472818 /nfs/dbraw/zinc/47/28/18/1343472818.db2.gz OZXJDONRSUACJI-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001036423700 1343478201 /nfs/dbraw/zinc/47/82/01/1343478201.db2.gz DPWWLOCKGOQNNP-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001036477169 1343506492 /nfs/dbraw/zinc/50/64/92/1343506492.db2.gz XVDLMQZMFXOEHA-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001036577284 1343562291 /nfs/dbraw/zinc/56/22/91/1343562291.db2.gz FSERCSDUHIVBJV-PXNSSMCTSA-N 2 0 345.531 3.029 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036903241 1343849726 /nfs/dbraw/zinc/84/97/26/1343849726.db2.gz XNEZBJZTYHVGPF-QUCCMNQESA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904504 1343851782 /nfs/dbraw/zinc/85/17/82/1343851782.db2.gz SQZNGLFGGSFDAD-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001037044400 1343946322 /nfs/dbraw/zinc/94/63/22/1343946322.db2.gz DJEDURUBPSJGLM-PXNSSMCTSA-N 2 0 348.450 3.023 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037862908 1344147206 /nfs/dbraw/zinc/14/72/06/1344147206.db2.gz WMOBCLFYZHSRCF-QUCCMNQESA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1[NH2+]CC(C)C ZINC001037871223 1344153468 /nfs/dbraw/zinc/15/34/68/1344153468.db2.gz XXEOYEYHHSDHLG-LPHOPBHVSA-N 2 0 342.487 3.129 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1[NH2+]C(C)C ZINC001037888666 1344163435 /nfs/dbraw/zinc/16/34/35/1344163435.db2.gz ZHABPIHSBBYQAE-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038241036 1344338611 /nfs/dbraw/zinc/33/86/11/1344338611.db2.gz SBBOHPLZDQXJBA-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248784 1344344296 /nfs/dbraw/zinc/34/42/96/1344344296.db2.gz PQCWNGRQGMMIAM-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038321482 1344379180 /nfs/dbraw/zinc/37/91/80/1344379180.db2.gz MSMRJSCEFILXHJ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038354597 1344395155 /nfs/dbraw/zinc/39/51/55/1344395155.db2.gz VMKDUSRAPJCPAY-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038444500 1344431311 /nfs/dbraw/zinc/43/13/11/1344431311.db2.gz MVSKHYYAQBVRAP-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCCC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520473 1344464560 /nfs/dbraw/zinc/46/45/60/1344464560.db2.gz QRTLSXNFNLYKTI-LJQANCHMSA-N 2 0 340.471 3.109 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039112821 1344784256 /nfs/dbraw/zinc/78/42/56/1344784256.db2.gz IZGXFVDCSJOMDE-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039166482 1344852171 /nfs/dbraw/zinc/85/21/71/1344852171.db2.gz ZAZOWBFRYWBGSZ-UYAOXDASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039166853 1344852653 /nfs/dbraw/zinc/85/26/53/1344852653.db2.gz GOESQJNDKFSDLQ-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039183166 1344881061 /nfs/dbraw/zinc/88/10/61/1344881061.db2.gz WYIKNBUHIHBMJA-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235229 1344956315 /nfs/dbraw/zinc/95/63/15/1344956315.db2.gz VSORCWCKKWMUOE-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039296065 1345001304 /nfs/dbraw/zinc/00/13/04/1345001304.db2.gz YFHYAFIHOUGVBL-ZNBHLAFESA-N 2 0 347.547 3.305 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039398069 1345046040 /nfs/dbraw/zinc/04/60/40/1345046040.db2.gz JWEMGMSJTJJHGE-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401926 1345048366 /nfs/dbraw/zinc/04/83/66/1345048366.db2.gz YHIKMTNGACPRHE-JQHSSLGASA-N 2 0 340.471 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C(C)C ZINC001039969822 1345271964 /nfs/dbraw/zinc/27/19/64/1345271964.db2.gz XAUKUMPGVYFOKQ-OTWHNJEPSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199963 1345372377 /nfs/dbraw/zinc/37/23/77/1345372377.db2.gz DHLHVZAQAVWHPP-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040211084 1345377635 /nfs/dbraw/zinc/37/76/35/1345377635.db2.gz TVSQOWLDVDKAJH-QFUCXCTJSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040232990 1345387931 /nfs/dbraw/zinc/38/79/31/1345387931.db2.gz UZXZVYKPDYCYSQ-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001040350036 1345448270 /nfs/dbraw/zinc/44/82/70/1345448270.db2.gz IXNULSIGODTCLL-TZIWHRDSSA-N 2 0 347.547 3.118 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040493954 1345519740 /nfs/dbraw/zinc/51/97/40/1345519740.db2.gz RJVKEOJLPXOEBU-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040545822 1345540045 /nfs/dbraw/zinc/54/00/45/1345540045.db2.gz VDPNZMSPYICEHF-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040727175 1345571222 /nfs/dbraw/zinc/57/12/22/1345571222.db2.gz PNNQRKGNVXXIAA-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001040726602 1345571229 /nfs/dbraw/zinc/57/12/29/1345571229.db2.gz LXCJVHXXXAYUQE-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2)[NH+](C)C ZINC001040744972 1345573247 /nfs/dbraw/zinc/57/32/47/1345573247.db2.gz FXHNWERBRBGSLE-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849289 1345588258 /nfs/dbraw/zinc/58/82/58/1345588258.db2.gz PSYNOOCBPZVEIL-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288578 1345694304 /nfs/dbraw/zinc/69/43/04/1345694304.db2.gz YFMBZGOIFBFXBY-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041373391 1345711832 /nfs/dbraw/zinc/71/18/32/1345711832.db2.gz UQWXLEQHKMBIQH-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3=CCCCC3)C2)C1)[NH+](C)C ZINC001041688322 1345820347 /nfs/dbraw/zinc/82/03/47/1345820347.db2.gz UHWSKERSOIHNCK-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041781980 1345848006 /nfs/dbraw/zinc/84/80/06/1345848006.db2.gz NRFNLIYARMSYHK-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042367974 1346059607 /nfs/dbraw/zinc/05/96/07/1346059607.db2.gz NBTQGQXDSZSNGQ-YLJYHZDGSA-N 2 0 343.515 3.085 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1C[NH+](CC2CCCCC2)C1 ZINC001044055721 1346240491 /nfs/dbraw/zinc/24/04/91/1346240491.db2.gz IPOBCDIMZGDAPQ-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C2C[NH+](CC3CCCCCC3)C2)CC1 ZINC001044127857 1346255749 /nfs/dbraw/zinc/25/57/49/1346255749.db2.gz BQWDJYJWZZLLHW-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)C[NH+]1CCCC1)C1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001044296671 1346293710 /nfs/dbraw/zinc/29/37/10/1346293710.db2.gz JKQSPWVSLRKXMP-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H](C)C2)cs1 ZINC001044630795 1346387970 /nfs/dbraw/zinc/38/79/70/1346387970.db2.gz YXFXOSIAAKYARK-WMLDXEAASA-N 2 0 349.544 3.010 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001044656300 1346395014 /nfs/dbraw/zinc/39/50/14/1346395014.db2.gz BXOQEWRBECXZEA-CRAIPNDOSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044733041 1346415521 /nfs/dbraw/zinc/41/55/21/1346415521.db2.gz PLRUDIWMCSANQH-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044859032 1346446923 /nfs/dbraw/zinc/44/69/23/1346446923.db2.gz YYJCCWYIXTZPCQ-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044879269 1346453048 /nfs/dbraw/zinc/45/30/48/1346453048.db2.gz OPXOFPXCKKAWBU-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044881221 1346453786 /nfs/dbraw/zinc/45/37/86/1346453786.db2.gz UXVMKPLCYMKGJN-SJLPKXTDSA-N 2 0 349.544 3.093 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001045106180 1346495687 /nfs/dbraw/zinc/49/56/87/1346495687.db2.gz XQKSGZGVRPGZDA-ACBHZAAOSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045164200 1346512799 /nfs/dbraw/zinc/51/27/99/1346512799.db2.gz IIPCWMIKVBRQKL-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001045251278 1346540904 /nfs/dbraw/zinc/54/09/04/1346540904.db2.gz MEDNOJBBWILVPQ-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045321976 1346559916 /nfs/dbraw/zinc/55/99/16/1346559916.db2.gz DMCHWQAIECNUEZ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001045389157 1346580810 /nfs/dbraw/zinc/58/08/10/1346580810.db2.gz GNGQQIUVIKEVSS-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045475668 1346603213 /nfs/dbraw/zinc/60/32/13/1346603213.db2.gz OFMNHPUBDGWNQQ-OALUTQOASA-N 2 0 347.547 3.164 20 0 EGADRP CC1(NC(=O)c2ccc3c[nH+]cn3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001045501836 1346611195 /nfs/dbraw/zinc/61/11/95/1346611195.db2.gz CSBGTHFDGYMEKZ-UHFFFAOYSA-N 2 0 348.450 3.119 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045557858 1346628633 /nfs/dbraw/zinc/62/86/33/1346628633.db2.gz XHTDSEDQSSOFHA-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045557503 1346628894 /nfs/dbraw/zinc/62/88/94/1346628894.db2.gz MXPUNYXSEPAZMR-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045584549 1346637181 /nfs/dbraw/zinc/63/71/81/1346637181.db2.gz GQPLIAASORDSDL-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585508 1346637726 /nfs/dbraw/zinc/63/77/26/1346637726.db2.gz RYPLQAUMRLZXMY-ZWKOTPCHSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045620813 1346650076 /nfs/dbraw/zinc/65/00/76/1346650076.db2.gz VFYMGIQAYGWNSM-ROUUACIJSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001045833066 1346713929 /nfs/dbraw/zinc/71/39/29/1346713929.db2.gz PECBLSNGECBJJB-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943073 1346778594 /nfs/dbraw/zinc/77/85/94/1346778594.db2.gz FYNXIWRUUKPRHL-OAQYLSRUSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985811 1346827218 /nfs/dbraw/zinc/82/72/18/1346827218.db2.gz CRCIBJWYXQAJIM-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045986260 1346827891 /nfs/dbraw/zinc/82/78/91/1346827891.db2.gz MGIRODAHLAVHQK-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1)[NH+]1CCCC1 ZINC001045986180 1346827933 /nfs/dbraw/zinc/82/79/33/1346827933.db2.gz JGFCMAKCODQKMS-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1c(C(=O)N[C@@]2(C)CC[N@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001046435677 1346974840 /nfs/dbraw/zinc/97/48/40/1346974840.db2.gz IHCYAGPNSSNPKB-FQEVSTJZSA-N 2 0 342.487 3.273 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046556622 1347015604 /nfs/dbraw/zinc/01/56/04/1347015604.db2.gz JVHVYYATLKBVFW-FPOVZHCZSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001046739627 1347077574 /nfs/dbraw/zinc/07/75/74/1347077574.db2.gz RMTMQWWEUWYYRO-HXUWFJFHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047975905 1347431199 /nfs/dbraw/zinc/43/11/99/1347431199.db2.gz PATBVHWENKYMNY-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047989543 1347435685 /nfs/dbraw/zinc/43/56/85/1347435685.db2.gz RRINBOIZSQFLST-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001048005678 1347438518 /nfs/dbraw/zinc/43/85/18/1347438518.db2.gz DIIXGVGZTJNYTO-UYAOXDASSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525209 1347577608 /nfs/dbraw/zinc/57/76/08/1347577608.db2.gz OYNBYTHSMLKJBP-OMZCGLGVSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C2 ZINC001048531217 1347580761 /nfs/dbraw/zinc/58/07/61/1347580761.db2.gz IFIJRTNTNLGEOB-ACHSLPGTSA-N 2 0 349.544 3.191 20 0 EGADRP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543444 1347585773 /nfs/dbraw/zinc/58/57/73/1347585773.db2.gz ZVYFOSOUHZYMIF-REPLKXPHSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556442 1347591627 /nfs/dbraw/zinc/59/16/27/1347591627.db2.gz HCJRNWASKLECLY-XHYRXIGBSA-N 2 0 349.563 3.122 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048590605 1347609937 /nfs/dbraw/zinc/60/99/37/1347609937.db2.gz QPXHAJKRNZNIBI-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001048622218 1347622447 /nfs/dbraw/zinc/62/24/47/1347622447.db2.gz XVAONMBIKUCKHE-IYARVYRRSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048624680 1347623462 /nfs/dbraw/zinc/62/34/62/1347623462.db2.gz XZVWYXCTDHTKHF-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478564 1347868682 /nfs/dbraw/zinc/86/86/82/1347868682.db2.gz PTZVZCFRXGFZQL-OTWHNJEPSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049537528 1347897369 /nfs/dbraw/zinc/89/73/69/1347897369.db2.gz RHZYLNOOXMTJPD-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049553493 1347905489 /nfs/dbraw/zinc/90/54/89/1347905489.db2.gz VKBXWNUTGJXCQM-XUVXKRRUSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049573290 1347916331 /nfs/dbraw/zinc/91/63/31/1347916331.db2.gz RRYHABZOZGWEHG-RBUKOAKNSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049573291 1347916472 /nfs/dbraw/zinc/91/64/72/1347916472.db2.gz RRYHABZOZGWEHG-RTBURBONSA-N 2 0 340.471 3.059 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049655829 1347958277 /nfs/dbraw/zinc/95/82/77/1347958277.db2.gz RWLVUBXOYGJFBV-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001049671460 1347965677 /nfs/dbraw/zinc/96/56/77/1347965677.db2.gz LJSUGPPUNPZGMC-VJANTYMQSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049702598 1347980839 /nfs/dbraw/zinc/98/08/39/1347980839.db2.gz IHDUVGJOCBGRHL-XUVXKRRUSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001049711506 1347986647 /nfs/dbraw/zinc/98/66/47/1347986647.db2.gz MOONIKFQWRGSOL-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049713324 1347987837 /nfs/dbraw/zinc/98/78/37/1347987837.db2.gz XURMQOPRIRGFCA-CEXWTWQISA-N 2 0 349.563 3.074 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915618 1348110095 /nfs/dbraw/zinc/11/00/95/1348110095.db2.gz XLTZCJYWGXAKME-ZCNNSNEGSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001050253658 1348219598 /nfs/dbraw/zinc/21/95/98/1348219598.db2.gz MSIDIMABPFCLSS-YLJYHZDGSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001050262663 1348221780 /nfs/dbraw/zinc/22/17/80/1348221780.db2.gz ZXIZXCQSNLLKQM-JXXFODFXSA-N 2 0 343.515 3.094 20 0 EGADRP CC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001050272411 1348224587 /nfs/dbraw/zinc/22/45/87/1348224587.db2.gz HFLARPPJCOIRNN-MRXNPFEDSA-N 2 0 331.504 3.094 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001050367154 1348240466 /nfs/dbraw/zinc/24/04/66/1348240466.db2.gz FGTBXQQBWOGFNV-LNLFQRSKSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368085 1348240558 /nfs/dbraw/zinc/24/05/58/1348240558.db2.gz RIXHQNCICHQHGP-VBSBHUPXSA-N 2 0 349.563 3.029 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001050375060 1348242604 /nfs/dbraw/zinc/24/26/04/1348242604.db2.gz DWNFCUOUYGXTFA-LWYYNNOASA-N 2 0 347.547 3.068 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001050385943 1348246563 /nfs/dbraw/zinc/24/65/63/1348246563.db2.gz CFNWEHDFBSFATO-VAMGGRTRSA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050576984 1348292624 /nfs/dbraw/zinc/29/26/24/1348292624.db2.gz KFEYBVJWBQZKCE-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CC2)CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001052381189 1348536880 /nfs/dbraw/zinc/53/68/80/1348536880.db2.gz MBQFLSRRTQACRR-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590536 1348588704 /nfs/dbraw/zinc/58/87/04/1348588704.db2.gz CINAYNQOPQZETH-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001052620722 1348598142 /nfs/dbraw/zinc/59/81/42/1348598142.db2.gz SEASQMYJYHWOCJ-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC3CCCC3)CC2)CC1 ZINC001052678081 1348626265 /nfs/dbraw/zinc/62/62/65/1348626265.db2.gz UAISWQHASPOCBH-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052712689 1348644596 /nfs/dbraw/zinc/64/45/96/1348644596.db2.gz NLMRQUZFHDJUAF-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052712379 1348644961 /nfs/dbraw/zinc/64/49/61/1348644961.db2.gz HTFCLJOZXJUMFX-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001052764721 1348669683 /nfs/dbraw/zinc/66/96/83/1348669683.db2.gz RMTVKANRCIVJPO-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052936419 1348755860 /nfs/dbraw/zinc/75/58/60/1348755860.db2.gz AKMPNJUODSITLE-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052938451 1348756494 /nfs/dbraw/zinc/75/64/94/1348756494.db2.gz YATGLYAACFNELZ-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052959876 1348772598 /nfs/dbraw/zinc/77/25/98/1348772598.db2.gz ZNMSWKRTUPGAHX-MSOLQXFVSA-N 2 0 349.494 3.081 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC3CC3)CC2)o1 ZINC001052967393 1348778691 /nfs/dbraw/zinc/77/86/91/1348778691.db2.gz HGMICIKHNHUGPV-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105592 1348943279 /nfs/dbraw/zinc/94/32/79/1348943279.db2.gz PYDMZEMHILSREH-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054140635 1349151994 /nfs/dbraw/zinc/15/19/94/1349151994.db2.gz RHOLMJSTFXQLOR-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196873 1349199519 /nfs/dbraw/zinc/19/95/19/1349199519.db2.gz PARSYZARSLNYTI-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219552 1349216720 /nfs/dbraw/zinc/21/67/20/1349216720.db2.gz QFSRLNWPWINXLA-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+](CCC)C3)cc2C1 ZINC001054277961 1349277954 /nfs/dbraw/zinc/27/79/54/1349277954.db2.gz FTAVMMICGVZOIH-IBGZPJMESA-N 2 0 343.515 3.150 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054724928 1349447747 /nfs/dbraw/zinc/44/77/47/1349447747.db2.gz ABSBTRWMSYWMGU-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080136104 1357497223 /nfs/dbraw/zinc/49/72/23/1357497223.db2.gz BDTUJQCZPIAOGQ-GQIGUUNPSA-N 2 0 348.450 3.146 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2C)C1 ZINC001080311177 1357568966 /nfs/dbraw/zinc/56/89/66/1357568966.db2.gz UJOCQYUXBWEROM-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667791 1357719679 /nfs/dbraw/zinc/71/96/79/1357719679.db2.gz WGYJXWOLIBGGTA-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001082742784 1358085974 /nfs/dbraw/zinc/08/59/74/1358085974.db2.gz RUVDABMVKPZJCR-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507988 1354732660 /nfs/dbraw/zinc/73/26/60/1354732660.db2.gz FXGOAIKBQKIUHB-QZTJIDSGSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071508241 1354733238 /nfs/dbraw/zinc/73/32/38/1354733238.db2.gz LHCLWGFEYDJHMC-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001071508466 1354733455 /nfs/dbraw/zinc/73/34/55/1354733455.db2.gz OKPXWQYIXQKENE-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001071508721 1354733658 /nfs/dbraw/zinc/73/36/58/1354733658.db2.gz SHWJSDDBPVHQQM-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001071508589 1354733856 /nfs/dbraw/zinc/73/38/56/1354733856.db2.gz QHLLLAIBSYSYDL-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CC1CCCC1 ZINC001071650328 1354827385 /nfs/dbraw/zinc/82/73/85/1354827385.db2.gz BCGLEZCXOWHOLL-MAUKXSAKSA-N 2 0 340.471 3.107 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895970 1355011031 /nfs/dbraw/zinc/01/10/31/1355011031.db2.gz CRVUZEARPDSFCR-FXAWDEMLSA-N 2 0 343.515 3.297 20 0 EGADRP C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001072301473 1355228542 /nfs/dbraw/zinc/22/85/42/1355228542.db2.gz QVRZFKFZFANQKA-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001072309951 1355232288 /nfs/dbraw/zinc/23/22/88/1355232288.db2.gz OUPFRYIWJDEPOS-IRXDYDNUSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001072793660 1355441352 /nfs/dbraw/zinc/44/13/52/1355441352.db2.gz LWHXSUHUIMNLMR-UHFFFAOYSA-N 2 0 349.544 3.004 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001183201082 1387277618 /nfs/dbraw/zinc/27/76/18/1387277618.db2.gz ZUGYEWQIDWHEHD-PORCLINASA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001183221621 1387282160 /nfs/dbraw/zinc/28/21/60/1387282160.db2.gz TZZZOOAGQCDCND-WDJFIJIBSA-N 2 0 337.552 3.149 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1)[NH+](C)C ZINC001074066597 1356063359 /nfs/dbraw/zinc/06/33/59/1356063359.db2.gz JGMQSEDQJFOKFY-UXHICEINSA-N 2 0 345.531 3.148 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001074081469 1356072973 /nfs/dbraw/zinc/07/29/73/1356072973.db2.gz HIXNWSIWGKBDGR-LJQANCHMSA-N 2 0 331.504 3.083 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001074091846 1356078165 /nfs/dbraw/zinc/07/81/65/1356078165.db2.gz IYRRBIXNGWLWDI-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H]1C)[NH+](C)C ZINC001074885660 1356279521 /nfs/dbraw/zinc/27/95/21/1356279521.db2.gz QONHFWIIZTWJNY-VDGAXYAQSA-N 2 0 345.531 3.229 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324031 1356548862 /nfs/dbraw/zinc/54/88/62/1356548862.db2.gz KQPDBYVQKFJYLM-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCCCF)[NH+](C)C ZINC001099125793 1363638850 /nfs/dbraw/zinc/63/88/50/1363638850.db2.gz KWBLATAKUSIEHW-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001323142417 1387300158 /nfs/dbraw/zinc/30/01/58/1387300158.db2.gz IZTXJKJFUPJWIA-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082570140 1358057464 /nfs/dbraw/zinc/05/74/64/1358057464.db2.gz ADXYDNDWENCVDF-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC=C(C)C)C[C@H]21 ZINC001084767749 1358305591 /nfs/dbraw/zinc/30/55/91/1358305591.db2.gz IAAZOTLKPSKVIA-HSALFYBXSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CCCCC3)[C@H]2C1)[NH+](C)C ZINC001085035597 1358372172 /nfs/dbraw/zinc/37/21/72/1358372172.db2.gz GVPWJMWKJIYJBD-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)C1 ZINC001085224380 1358437138 /nfs/dbraw/zinc/43/71/38/1358437138.db2.gz BHYJBWBQHMYXLQ-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085628849 1358646479 /nfs/dbraw/zinc/64/64/79/1358646479.db2.gz GOLYLETVUBQGJY-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085696040 1358692312 /nfs/dbraw/zinc/69/23/12/1358692312.db2.gz YJELGUWSSXPJOM-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085698977 1358693054 /nfs/dbraw/zinc/69/30/54/1358693054.db2.gz BNZDPNRFRVYOPE-QFBILLFUSA-N 2 0 348.450 3.242 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782569 1358758474 /nfs/dbraw/zinc/75/84/74/1358758474.db2.gz XUZJZRIHWVAADI-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798803 1358773821 /nfs/dbraw/zinc/77/38/21/1358773821.db2.gz AYJLLUNHZYXACQ-WOJBJXKFSA-N 2 0 343.515 3.012 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875937 1358840563 /nfs/dbraw/zinc/84/05/63/1358840563.db2.gz MTKQPRJJNGHUGE-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086084931 1358992108 /nfs/dbraw/zinc/99/21/08/1358992108.db2.gz LHCKXSQNHZZUQX-HSALFYBXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086105502 1358998664 /nfs/dbraw/zinc/99/86/64/1358998664.db2.gz PULQLBPZHBRGRR-AQNXPRMDSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086382802 1359083579 /nfs/dbraw/zinc/08/35/79/1359083579.db2.gz YLITVCQSWXQZQG-LFGUQSLTSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086382636 1359083592 /nfs/dbraw/zinc/08/35/92/1359083592.db2.gz QFJXUDNATVYHAZ-PWKSQPCKSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001086416911 1359091511 /nfs/dbraw/zinc/09/15/11/1359091511.db2.gz NEVYITMXKCYVGH-WGSAOQKQSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001086502564 1359122362 /nfs/dbraw/zinc/12/23/62/1359122362.db2.gz FMVYAJQJJNDVOM-WTGUMLROSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086534113 1359134991 /nfs/dbraw/zinc/13/49/91/1359134991.db2.gz PPQIKAGLMOWDGI-LWYYNNOASA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086534114 1359135297 /nfs/dbraw/zinc/13/52/97/1359135297.db2.gz PPQIKAGLMOWDGI-MUGJNUQGSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086882710 1359220601 /nfs/dbraw/zinc/22/06/01/1359220601.db2.gz HBDYFBKZGUZHRS-ZCNNSNEGSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926710 1359251495 /nfs/dbraw/zinc/25/14/95/1359251495.db2.gz HTCOVHKAMRDFLY-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CC2CCCCCC2)CC1)[NH+]1CCCCCC1 ZINC001323553904 1387386376 /nfs/dbraw/zinc/38/63/76/1387386376.db2.gz BPBPZFOCZSDEBV-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956731 1359277768 /nfs/dbraw/zinc/27/77/68/1359277768.db2.gz WASSAOIEBAUXTO-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956732 1359277873 /nfs/dbraw/zinc/27/78/73/1359277873.db2.gz WASSAOIEBAUXTO-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CCC(C)C ZINC001087602466 1359550885 /nfs/dbraw/zinc/55/08/85/1359550885.db2.gz QWIHNRLRNBUKBO-ZCNNSNEGSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC[N@@H+]1CCC(C)C ZINC001087636422 1359565417 /nfs/dbraw/zinc/56/54/17/1359565417.db2.gz PPJIOZMEGHBRTP-IPMKNSEASA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CC=C(C)C ZINC001087791105 1359647165 /nfs/dbraw/zinc/64/71/65/1359647165.db2.gz WDYICBAMMMLJFP-VQTJNVASSA-N 2 0 347.547 3.044 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1C/C=C\Cl ZINC001087840925 1359674878 /nfs/dbraw/zinc/67/48/78/1359674878.db2.gz UUTSEXFPSAUZMM-MQSXSKFUSA-N 2 0 349.906 3.083 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001323640992 1387415232 /nfs/dbraw/zinc/41/52/32/1387415232.db2.gz HLUZNJRQHFWVIV-LJQANCHMSA-N 2 0 347.462 3.144 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1)C1CCC1 ZINC001088327434 1359831853 /nfs/dbraw/zinc/83/18/53/1359831853.db2.gz NDFWUIMEFNAXMV-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C[C@H]1C ZINC001184272444 1387421767 /nfs/dbraw/zinc/42/17/67/1387421767.db2.gz FYDYKCPZQWIMJZ-VGRIIWOTSA-N 2 0 346.519 3.163 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088413282 1359884310 /nfs/dbraw/zinc/88/43/10/1359884310.db2.gz BXVYYQASBIJZHQ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413120 1359884336 /nfs/dbraw/zinc/88/43/36/1359884336.db2.gz YQCHCQBNTRPMNE-TZIWHRDSSA-N 2 0 345.531 3.234 20 0 EGADRP O=C(N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001088419371 1359889179 /nfs/dbraw/zinc/88/91/79/1359889179.db2.gz OOJOUTZYGCKXHO-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001088430908 1359898552 /nfs/dbraw/zinc/89/85/52/1359898552.db2.gz BGZIMDAXMLOBJA-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)(C)C)[C@@H]2C)C1 ZINC001088810042 1360059263 /nfs/dbraw/zinc/05/92/63/1360059263.db2.gz AYPWFTYEGXISLI-KURKYZTESA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC(C)(C)C)[C@@H]2C)C1 ZINC001088810043 1360059585 /nfs/dbraw/zinc/05/95/85/1360059585.db2.gz AYPWFTYEGXISLI-SQNIBIBYSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812215 1360060409 /nfs/dbraw/zinc/06/04/09/1360060409.db2.gz RTEZWKRZRVELKL-YZGWKJHDSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812214 1360060478 /nfs/dbraw/zinc/06/04/78/1360060478.db2.gz RTEZWKRZRVELKL-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897685 1360097134 /nfs/dbraw/zinc/09/71/34/1360097134.db2.gz SQKOJYGKKAPIOB-KURKYZTESA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060864 1360152124 /nfs/dbraw/zinc/15/21/24/1360152124.db2.gz KTLIJOZCHGLHBI-UZLBHIALSA-N 2 0 345.531 3.377 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001089252791 1360284192 /nfs/dbraw/zinc/28/41/92/1360284192.db2.gz WJERFVBGLPHLHJ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089405763 1360404437 /nfs/dbraw/zinc/40/44/37/1360404437.db2.gz DULYYXHKRWICDU-MSOLQXFVSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421510 1360415805 /nfs/dbraw/zinc/41/58/05/1360415805.db2.gz VEELPPORJFHDRG-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089428570 1360420286 /nfs/dbraw/zinc/42/02/86/1360420286.db2.gz ZGQZDYAUXZSVIV-ZWKOTPCHSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477595 1360460265 /nfs/dbraw/zinc/46/02/65/1360460265.db2.gz OAINEUTYEQFZRQ-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487797 1360467665 /nfs/dbraw/zinc/46/76/65/1360467665.db2.gz OHLWQCRPFUXWPE-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089509057 1360480687 /nfs/dbraw/zinc/48/06/87/1360480687.db2.gz DIJMEVOYCFRENP-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509039 1360480943 /nfs/dbraw/zinc/48/09/43/1360480943.db2.gz DELLLDRFQICXKP-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536273 1360495334 /nfs/dbraw/zinc/49/53/34/1360495334.db2.gz APGLIHANHOVNMA-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562331 1360509882 /nfs/dbraw/zinc/50/98/82/1360509882.db2.gz BTLDIJFCAKHCPJ-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089565391 1360511945 /nfs/dbraw/zinc/51/19/45/1360511945.db2.gz QNZUUQQMNNXSCM-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CCCC1 ZINC001089617370 1360536757 /nfs/dbraw/zinc/53/67/57/1360536757.db2.gz ZUSPKTFUYMCFKS-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CC2)CC[N@@H+]1C ZINC001089643542 1360555812 /nfs/dbraw/zinc/55/58/12/1360555812.db2.gz XNJDCYJMZKNAPT-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089645857 1360557858 /nfs/dbraw/zinc/55/78/58/1360557858.db2.gz BQYLGONYWPCZGS-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089646026 1360558186 /nfs/dbraw/zinc/55/81/86/1360558186.db2.gz HBWKCTLCCXFHSI-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CC2)CC[N@@H+]1C ZINC001089686391 1360591734 /nfs/dbraw/zinc/59/17/34/1360591734.db2.gz RQJJKYYGDWFPER-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089733726 1360637361 /nfs/dbraw/zinc/63/73/61/1360637361.db2.gz AIRXPLMBVBMMGV-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734456 1360639199 /nfs/dbraw/zinc/63/91/99/1360639199.db2.gz QTFLEPNGFAHSFN-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091026090 1360982574 /nfs/dbraw/zinc/98/25/74/1360982574.db2.gz HQWDMCXCBLACCI-MHJFOBGBSA-N 2 0 347.547 3.234 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001091100199 1360991996 /nfs/dbraw/zinc/99/19/96/1360991996.db2.gz KXYAILXAQHAKQJ-CTWPCTMYSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091112243 1360993929 /nfs/dbraw/zinc/99/39/29/1360993929.db2.gz MTJYDSYTNJAZIR-MHJFOBGBSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001091212875 1361008960 /nfs/dbraw/zinc/00/89/60/1361008960.db2.gz CWFBVXDTPNSNSA-UHFFFAOYSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001323936879 1387498563 /nfs/dbraw/zinc/49/85/63/1387498563.db2.gz PFKVQYNQGSLPIY-NRFANRHFSA-N 2 0 346.515 3.002 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091754551 1361212268 /nfs/dbraw/zinc/21/22/68/1361212268.db2.gz TZAJUQFFUMILGF-OPYAIIAOSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092508392 1361401349 /nfs/dbraw/zinc/40/13/49/1361401349.db2.gz ZMDMNZKRNKZNKD-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184712313 1387516681 /nfs/dbraw/zinc/51/66/81/1387516681.db2.gz LVWHCUMQBKGODO-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919388 1361487083 /nfs/dbraw/zinc/48/70/83/1361487083.db2.gz MVYZJDKMGZPMID-CRAIPNDOSA-N 2 0 349.519 3.075 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056647 1361517167 /nfs/dbraw/zinc/51/71/67/1361517167.db2.gz JEQBLIRZESUBTN-SQGPQFPESA-N 2 0 345.531 3.092 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001093120964 1361532805 /nfs/dbraw/zinc/53/28/05/1361532805.db2.gz REJDSFYTVIVRBQ-VAMGGRTRSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001094159394 1361749164 /nfs/dbraw/zinc/74/91/64/1361749164.db2.gz KXADJDGMMOJJJT-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001324080661 1387532965 /nfs/dbraw/zinc/53/29/65/1387532965.db2.gz JRXMJJDVPMGCIC-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456628 1361808411 /nfs/dbraw/zinc/80/84/11/1361808411.db2.gz KHHTTXKAQVQGCJ-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528994 1361845951 /nfs/dbraw/zinc/84/59/51/1361845951.db2.gz FJOQNWPGVYGCCL-SFHLNBCPSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094584760 1361871367 /nfs/dbraw/zinc/87/13/67/1361871367.db2.gz FQQIHTJZFYMGRF-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001095242345 1362065242 /nfs/dbraw/zinc/06/52/42/1362065242.db2.gz MDTHHBZYAIURLA-XWSJACJDSA-N 2 0 347.547 3.019 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001184933587 1387564441 /nfs/dbraw/zinc/56/44/41/1387564441.db2.gz LOFCIZPUPLZATR-KAGICYHLSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001184936107 1387566398 /nfs/dbraw/zinc/56/63/98/1387566398.db2.gz ZKLXISLXFQSEOT-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096168255 1362411902 /nfs/dbraw/zinc/41/19/02/1362411902.db2.gz CTTPCONQERVHCN-AABGKKOBSA-N 2 0 341.499 3.050 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269437 1362452909 /nfs/dbraw/zinc/45/29/09/1362452909.db2.gz SACQLPAYRBFFMT-AABGKKOBSA-N 2 0 349.563 3.265 20 0 EGADRP FC(F)CN1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001324270532 1387576509 /nfs/dbraw/zinc/57/65/09/1387576509.db2.gz TVKWUVPYVCRXLA-UHFFFAOYSA-N 2 0 329.479 3.103 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580096 1363060176 /nfs/dbraw/zinc/06/01/76/1363060176.db2.gz RDVGNQQDAYWFCJ-YRXWBPOGSA-N 2 0 347.547 3.019 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC1 ZINC001098099294 1363222553 /nfs/dbraw/zinc/22/25/53/1363222553.db2.gz IBSWGBUHCZLNDZ-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001098191597 1363250247 /nfs/dbraw/zinc/25/02/47/1363250247.db2.gz KWXXRJHIJZUYFU-YSTOQKLRSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098822066 1363482865 /nfs/dbraw/zinc/48/28/65/1363482865.db2.gz WSERJIZANRSIRL-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106172 1363624798 /nfs/dbraw/zinc/62/47/98/1363624798.db2.gz CGSQJGDWPWCINQ-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099198806 1363687942 /nfs/dbraw/zinc/68/79/42/1363687942.db2.gz FOGDNBLXOFULEF-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF)[NH+](CC)CC ZINC001099228882 1363701998 /nfs/dbraw/zinc/70/19/98/1363701998.db2.gz CLROUXDCTLSRBB-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099311278 1363744860 /nfs/dbraw/zinc/74/48/60/1363744860.db2.gz ZKRBVLWZPWGXJO-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC[C@@H](C)F ZINC001099320363 1363748339 /nfs/dbraw/zinc/74/83/39/1363748339.db2.gz ITYCCSIYSSPHEU-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354062 1363768292 /nfs/dbraw/zinc/76/82/92/1363768292.db2.gz LWZHVHIFIMBXAB-GOSISDBHSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354249 1363768432 /nfs/dbraw/zinc/76/84/32/1363768432.db2.gz PMBPVUXQPWAQIO-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001099457388 1363804877 /nfs/dbraw/zinc/80/48/77/1363804877.db2.gz NXTGGMMXATYAAL-UWJYYQICSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099543527 1363840557 /nfs/dbraw/zinc/84/05/57/1363840557.db2.gz HIBQNINDLZDODU-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099543531 1363840620 /nfs/dbraw/zinc/84/06/20/1363840620.db2.gz HIBQNINDLZDODU-YRPNKDGESA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551609 1363844358 /nfs/dbraw/zinc/84/43/58/1363844358.db2.gz ACRPRNQPBBIRAW-HAGHYFMRSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100319357 1364079507 /nfs/dbraw/zinc/07/95/07/1364079507.db2.gz IZNYPQXEDMWUQN-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100335067 1364082993 /nfs/dbraw/zinc/08/29/93/1364082993.db2.gz IXHREGORIJLRKT-WAYWQWQTSA-N 2 0 335.536 3.092 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001100345293 1364086247 /nfs/dbraw/zinc/08/62/47/1364086247.db2.gz YWAQWONINXIWKA-GHBBCFCZSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403025 1364103425 /nfs/dbraw/zinc/10/34/25/1364103425.db2.gz BKGBZMKIHFDPRD-BCNJPBROSA-N 2 0 349.563 3.195 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100403327 1364103618 /nfs/dbraw/zinc/10/36/18/1364103618.db2.gz KFGKURPAIACLTI-GPJFCIFZSA-N 2 0 349.563 3.029 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406644 1364103935 /nfs/dbraw/zinc/10/39/35/1364103935.db2.gz GNARMFXUYBJXGG-HPEWHVDNSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100534744 1364150180 /nfs/dbraw/zinc/15/01/80/1364150180.db2.gz AOKURNZPNUZRCJ-NKELODKYSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100620173 1364192535 /nfs/dbraw/zinc/19/25/35/1364192535.db2.gz YSBXKUQOJYCEFL-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001100731901 1364239219 /nfs/dbraw/zinc/23/92/19/1364239219.db2.gz KWGZOCANOHOZEC-KKXNLOMOSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765913 1364251575 /nfs/dbraw/zinc/25/15/75/1364251575.db2.gz HDTJDQFCDIBXDI-XSXGHCNDSA-N 2 0 337.552 3.194 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765911 1364251951 /nfs/dbraw/zinc/25/19/51/1364251951.db2.gz HDTJDQFCDIBXDI-DXSPMQDLSA-N 2 0 337.552 3.194 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001100831342 1364282833 /nfs/dbraw/zinc/28/28/33/1364282833.db2.gz ROSUORXJGKKUBN-LMDPOFIKSA-N 2 0 345.531 3.191 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC1CC([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001100860000 1364296107 /nfs/dbraw/zinc/29/61/07/1364296107.db2.gz MQGKXIXAPSKRGK-LYBXBRPPSA-N 2 0 345.531 3.210 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100876097 1364306843 /nfs/dbraw/zinc/30/68/43/1364306843.db2.gz KGAWREKNXMDNNN-UHFFFAOYSA-N 2 0 346.519 3.072 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2ccccc2F)C1 ZINC001100900290 1364321676 /nfs/dbraw/zinc/32/16/76/1364321676.db2.gz ZHXAQXRVUCLOGY-KLAILNCOSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100996641 1364362870 /nfs/dbraw/zinc/36/28/70/1364362870.db2.gz CNMZOGWDCJHKCT-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001101027865 1364380934 /nfs/dbraw/zinc/38/09/34/1364380934.db2.gz QAZQFHVFTFONPA-UHFFFAOYSA-N 2 0 345.531 3.427 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001101066764 1364398144 /nfs/dbraw/zinc/39/81/44/1364398144.db2.gz HJVLCOZJISSGMU-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101066664 1364398265 /nfs/dbraw/zinc/39/82/65/1364398265.db2.gz BQMZWSITKJBCTG-PLNGDYQASA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230709 1364476641 /nfs/dbraw/zinc/47/66/41/1364476641.db2.gz GNBHQKJUGWNPEG-DYXWJJEUSA-N 2 0 349.563 3.076 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101258724 1364489365 /nfs/dbraw/zinc/48/93/65/1364489365.db2.gz HHGNEWAHLISDOP-SBHAEUEKSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362984 1364528137 /nfs/dbraw/zinc/52/81/37/1364528137.db2.gz LUORZIBBWLHDBI-MHNFQHPDSA-N 2 0 349.563 3.243 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101548724 1364611875 /nfs/dbraw/zinc/61/18/75/1364611875.db2.gz GBGBMMIDERLQLR-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375491 1365029187 /nfs/dbraw/zinc/02/91/87/1365029187.db2.gz MSHWSCAIKCOQFU-YZBXUTEPSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473961 1365074509 /nfs/dbraw/zinc/07/45/09/1365074509.db2.gz YIOTZQMPUDOZIW-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](CC)c2ccccc2)C[C@H]1C ZINC001102525852 1365099368 /nfs/dbraw/zinc/09/93/68/1365099368.db2.gz YAMNEOKVIWQTFX-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102613003 1365137571 /nfs/dbraw/zinc/13/75/71/1365137571.db2.gz HOCKWGMVJLMJQW-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CCCC(C)(C)C)C1 ZINC001324669664 1387726881 /nfs/dbraw/zinc/72/68/81/1387726881.db2.gz QUKUQYKTQLOXDI-IBGZPJMESA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103082354 1365369902 /nfs/dbraw/zinc/36/99/02/1365369902.db2.gz LPGLSJLQTHJEAO-VAMGGRTRSA-N 2 0 349.563 3.005 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001185550590 1387745863 /nfs/dbraw/zinc/74/58/63/1387745863.db2.gz VKHYXDOKJDHWLN-MOPGFXCFSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001103495686 1365596921 /nfs/dbraw/zinc/59/69/21/1365596921.db2.gz NXDFKPOEKHONFK-VAMGGRTRSA-N 2 0 349.563 3.290 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)cc1 ZINC001185609794 1387760291 /nfs/dbraw/zinc/76/02/91/1387760291.db2.gz PDMPOGXHKWVYDA-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722602 1365749108 /nfs/dbraw/zinc/74/91/08/1365749108.db2.gz VQCWJCIKKKDTPA-UYAOXDASSA-N 2 0 347.547 3.047 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355037 1365983814 /nfs/dbraw/zinc/98/38/14/1365983814.db2.gz KTODIPAOVMEBSR-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385260 1365997548 /nfs/dbraw/zinc/99/75/48/1365997548.db2.gz KYTWDAAQOXUMNF-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185741486 1387787861 /nfs/dbraw/zinc/78/78/61/1387787861.db2.gz MVRZOPVDRQYBFR-FXAWDEMLSA-N 2 0 345.531 3.236 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001324881009 1387803823 /nfs/dbraw/zinc/80/38/23/1387803823.db2.gz UJIKCRFNWRNQDL-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396774 1366445374 /nfs/dbraw/zinc/44/53/74/1366445374.db2.gz VYAVBECKDVHYAH-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)CCC1 ZINC001105549501 1366525236 /nfs/dbraw/zinc/52/52/36/1366525236.db2.gz MXTMPLKYELZVFW-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561181 1366531095 /nfs/dbraw/zinc/53/10/95/1366531095.db2.gz IQQFJENEJKPWGZ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563069 1366532311 /nfs/dbraw/zinc/53/23/11/1366532311.db2.gz CDKNQTYQMSMGTP-RBUKOAKNSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001105568012 1366535608 /nfs/dbraw/zinc/53/56/08/1366535608.db2.gz CXIFORWYZWLWIR-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105577748 1366541770 /nfs/dbraw/zinc/54/17/70/1366541770.db2.gz ZIHGPCKCYKZADN-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)CCC1 ZINC001105578846 1366542592 /nfs/dbraw/zinc/54/25/92/1366542592.db2.gz HQADNZBRNSGAFK-IBGZPJMESA-N 2 0 349.563 3.413 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)CCC1 ZINC001105579861 1366542943 /nfs/dbraw/zinc/54/29/43/1366542943.db2.gz XMMBZPSQVRWBLL-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249147 1366633632 /nfs/dbraw/zinc/63/36/32/1366633632.db2.gz AUANEEMTUKAIGX-GGPKGHCWSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249288 1366633760 /nfs/dbraw/zinc/63/37/60/1366633760.db2.gz FVNWESOMOQZSNV-PFRNKHFKSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106255746 1366634942 /nfs/dbraw/zinc/63/49/42/1366634942.db2.gz FVTHKOBLUWXBBW-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106274730 1366640647 /nfs/dbraw/zinc/64/06/47/1366640647.db2.gz RLDCYTGFLZUVMA-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728758 1366782340 /nfs/dbraw/zinc/78/23/40/1366782340.db2.gz PWBBOZNKCRGTGF-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001107027783 1366861027 /nfs/dbraw/zinc/86/10/27/1366861027.db2.gz APVGPXFZLSOUNF-UYAOXDASSA-N 2 0 347.547 3.047 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CC(C)C)[C@H](C)C2)o1 ZINC001107066670 1366868961 /nfs/dbraw/zinc/86/89/61/1366868961.db2.gz GBVFOASLHMLHQI-IAGOWNOFSA-N 2 0 349.519 3.075 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438451 1366963652 /nfs/dbraw/zinc/96/36/52/1366963652.db2.gz AXGJCHAMIJXFQY-TZIWHRDSSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450526 1366968088 /nfs/dbraw/zinc/96/80/88/1366968088.db2.gz KHUJBOVAEVUDEP-BAPOODPFSA-N 2 0 347.547 3.188 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451462 1366968421 /nfs/dbraw/zinc/96/84/21/1366968421.db2.gz VMNWGXGJQBIVHI-CJCADHRLSA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001324956862 1387849433 /nfs/dbraw/zinc/84/94/33/1387849433.db2.gz GFXWZRKJDNHLCT-UYAOXDASSA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609574 1367070340 /nfs/dbraw/zinc/07/03/40/1367070340.db2.gz XQTATYIPBDCOCN-PVGIVHLXSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)C)CC2 ZINC001107615150 1367075097 /nfs/dbraw/zinc/07/50/97/1367075097.db2.gz SQNFWGXWDQTHGF-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644674 1367090968 /nfs/dbraw/zinc/09/09/68/1367090968.db2.gz FCVGUXPSCWCXTE-QKNQBKEWSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396403 1367102927 /nfs/dbraw/zinc/10/29/27/1367102927.db2.gz DIVXOTLZOHXPRJ-CKZPPYNSSA-N 2 0 347.547 3.042 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)CC(C)(C)CC[NH3+] ZINC001189754062 1367103257 /nfs/dbraw/zinc/10/32/57/1367103257.db2.gz HZOVYNXSPGOISG-INIZCTEOSA-N 2 0 349.519 3.397 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)C1CC1 ZINC001109402687 1367105413 /nfs/dbraw/zinc/10/54/13/1367105413.db2.gz YMRNQJPNBNFURG-FUMNGEBKSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001109428086 1367116060 /nfs/dbraw/zinc/11/60/60/1367116060.db2.gz MICSVPNXZPVPCM-FYQPLNBISA-N 2 0 349.563 3.265 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC(C)C ZINC001109464376 1367138474 /nfs/dbraw/zinc/13/84/74/1367138474.db2.gz XWHGTAOSNYKLLI-BDXSIMOUSA-N 2 0 337.552 3.120 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473908 1367146170 /nfs/dbraw/zinc/14/61/70/1367146170.db2.gz JRQFVWISBMPKPP-RRLLLCOMSA-N 2 0 347.547 3.185 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001186075221 1387860781 /nfs/dbraw/zinc/86/07/81/1387860781.db2.gz PPSGLGLOQXLNSJ-ASIGSXEYSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190491402 1367275968 /nfs/dbraw/zinc/27/59/68/1367275968.db2.gz GWBSQWRHIVGXBR-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190657061 1367319666 /nfs/dbraw/zinc/31/96/66/1367319666.db2.gz YHBNMJYWGZKIQM-TZFVZSICSA-N 2 0 347.547 3.282 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796958 1367327393 /nfs/dbraw/zinc/32/73/93/1367327393.db2.gz NUHSNZQGSKPUIW-YRXWBPOGSA-N 2 0 335.536 3.163 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1C ZINC001109865557 1367370569 /nfs/dbraw/zinc/37/05/69/1367370569.db2.gz UVRHCWAGFYJMLZ-HNJRGHQBSA-N 2 0 343.515 3.119 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190996217 1367397812 /nfs/dbraw/zinc/39/78/12/1367397812.db2.gz ATPNVOFIXBKAHP-QAPCUYQASA-N 2 0 349.494 3.150 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001191029083 1367404837 /nfs/dbraw/zinc/40/48/37/1367404837.db2.gz FUGFIBPKZQEDEB-MSOLQXFVSA-N 2 0 345.531 3.319 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351783 1367481739 /nfs/dbraw/zinc/48/17/39/1367481739.db2.gz LTEZHKZVVPWUGC-GOSISDBHSA-N 2 0 328.460 3.061 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001108720800 1367556599 /nfs/dbraw/zinc/55/65/99/1367556599.db2.gz RWEUSUHGUUQYBM-SZMVWBNQSA-N 2 0 340.471 3.107 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684103 1367560503 /nfs/dbraw/zinc/56/05/03/1367560503.db2.gz NUFGFKWLJNYEJM-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684463 1367560520 /nfs/dbraw/zinc/56/05/20/1367560520.db2.gz SAQNRZBQHKNXGH-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803680 1367605795 /nfs/dbraw/zinc/60/57/95/1367605795.db2.gz FVQZEIMZUCZSGX-KDHUBKHVSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823226 1367619937 /nfs/dbraw/zinc/61/99/37/1367619937.db2.gz JSTQCPZEPRRUFP-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192385864 1367770469 /nfs/dbraw/zinc/77/04/69/1367770469.db2.gz LZCVGQDNCLHQOC-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001192654260 1367843405 /nfs/dbraw/zinc/84/34/05/1367843405.db2.gz DYFTVUJQJFPHTC-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192672161 1367846628 /nfs/dbraw/zinc/84/66/28/1367846628.db2.gz ULCYPFJXONVLIK-OALUTQOASA-N 2 0 337.552 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110683183 1367925142 /nfs/dbraw/zinc/92/51/42/1367925142.db2.gz URRVKVRZWJSQMU-MANSERQUSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389893 1368017026 /nfs/dbraw/zinc/01/70/26/1368017026.db2.gz JGDCDHSRLHCWIH-RTBURBONSA-N 2 0 337.552 3.364 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408261 1368020897 /nfs/dbraw/zinc/02/08/97/1368020897.db2.gz HDXGTSFUDAQSAD-CTNGQTDRSA-N 2 0 345.531 3.042 20 0 EGADRP CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C3)C1 ZINC001110862389 1368041968 /nfs/dbraw/zinc/04/19/68/1368041968.db2.gz NJNRHRMHTUUDLW-JIARVOFWSA-N 2 0 347.547 3.019 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001110962199 1368126778 /nfs/dbraw/zinc/12/67/78/1368126778.db2.gz NMRXJYKNVVCCNV-AFYVEPGGSA-N 2 0 343.515 3.119 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)[NH+](CC)CC ZINC001111018187 1368143412 /nfs/dbraw/zinc/14/34/12/1368143412.db2.gz MHDOGXTZSAYMRD-WTGUMLROSA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028735 1368145928 /nfs/dbraw/zinc/14/59/28/1368145928.db2.gz OFVLAXMIDGVBQW-CBETYXLMSA-N 2 0 335.536 3.042 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228064 1368212863 /nfs/dbraw/zinc/21/28/63/1368212863.db2.gz PJQOYPFRDZKGHJ-FQEVSTJZSA-N 2 0 347.547 3.286 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273985 1368222004 /nfs/dbraw/zinc/22/20/04/1368222004.db2.gz CQGFNLAMDYKFGE-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001111465415 1368311979 /nfs/dbraw/zinc/31/19/79/1368311979.db2.gz UKQVQUPLQXIACA-CQELEZKQSA-N 2 0 347.547 3.329 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428381 1387941020 /nfs/dbraw/zinc/94/10/20/1387941020.db2.gz QZKANSBOYZDKNI-ONNQBUSKSA-N 2 0 337.552 3.290 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851461 1368505790 /nfs/dbraw/zinc/50/57/90/1368505790.db2.gz AYTIGLGYUVDGBH-WCMZQQELSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111859978 1368510513 /nfs/dbraw/zinc/51/05/13/1368510513.db2.gz JSRYDWWNWJNTAW-HRSGFYEVSA-N 2 0 347.547 3.045 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC(C)CC1)C2 ZINC001111909861 1368550698 /nfs/dbraw/zinc/55/06/98/1368550698.db2.gz LWJRQYMOCWCSRX-XSNSTOHYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196944127 1368719093 /nfs/dbraw/zinc/71/90/93/1368719093.db2.gz YQPJYOLCDHEMPV-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197331314 1368789448 /nfs/dbraw/zinc/78/94/48/1368789448.db2.gz JOWFQGVLBMLRQT-UEKDZROGSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](CCCCCF)CC1 ZINC001197477119 1368823491 /nfs/dbraw/zinc/82/34/91/1368823491.db2.gz AHZGXCSRJBKXRI-UHFFFAOYSA-N 2 0 343.531 3.173 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001112413489 1368832830 /nfs/dbraw/zinc/83/28/30/1368832830.db2.gz QLETVBQOIRYGLY-IRAUWKARSA-N 2 0 349.563 3.147 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197706427 1368878047 /nfs/dbraw/zinc/87/80/47/1368878047.db2.gz HWKLVSSZPIYQAJ-UHFFFAOYSA-N 2 0 345.531 3.186 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1)[NH+](CC)CC ZINC001112528792 1368915527 /nfs/dbraw/zinc/91/55/27/1368915527.db2.gz QUPOSRSXLVLHAT-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112585558 1368937973 /nfs/dbraw/zinc/93/79/73/1368937973.db2.gz FADOFZXSMLTQMA-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585458 1368938264 /nfs/dbraw/zinc/93/82/64/1368938264.db2.gz ZLPIXWHBXNGZQI-FPOVZHCZSA-N 2 0 347.547 3.047 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325437825 1387972050 /nfs/dbraw/zinc/97/20/50/1387972050.db2.gz LYDMRNFCFFTOGF-WMZOPIPTSA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198229327 1368984382 /nfs/dbraw/zinc/98/43/82/1368984382.db2.gz GLPMINJUQGFBCT-AATRIKPKSA-N 2 0 343.515 3.252 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198229046 1368984537 /nfs/dbraw/zinc/98/45/37/1368984537.db2.gz FKDWRXLMMAZTKY-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001198260075 1368991659 /nfs/dbraw/zinc/99/16/59/1368991659.db2.gz WWFMHXMFEYSIPV-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CCC2CCCCCC2)CC1 ZINC001198283019 1368996723 /nfs/dbraw/zinc/99/67/23/1368996723.db2.gz NAROQPIWCHAKIQ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC001198364465 1369016519 /nfs/dbraw/zinc/01/65/19/1369016519.db2.gz VRCIBNHYHLKMEA-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001112965156 1369112304 /nfs/dbraw/zinc/11/23/04/1369112304.db2.gz FMPYSZVELIVOAM-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598739 1387982938 /nfs/dbraw/zinc/98/29/38/1387982938.db2.gz WKDIVBLGNLFZFR-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC001113154789 1369232056 /nfs/dbraw/zinc/23/20/56/1369232056.db2.gz BQRMHVMAAGDBMC-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C(=O)N1CC[NH+](CCC2CCCCC2)CC1)[NH+](CC)CC ZINC001113338518 1369357808 /nfs/dbraw/zinc/35/78/08/1369357808.db2.gz GQNMMVSMBVFBBW-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402829 1369401010 /nfs/dbraw/zinc/40/10/10/1369401010.db2.gz GZSOGOKKVCMYCK-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)C(C)C ZINC001113441543 1369431175 /nfs/dbraw/zinc/43/11/75/1369431175.db2.gz GOIHGOYSJNSTKC-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP COc1cc2c(cc1C[NH2+]C1CCC([NH+]3CCCCC3)CC1)OCO2 ZINC001200879017 1369442913 /nfs/dbraw/zinc/44/29/13/1369442913.db2.gz CSORCFHVDDZXST-UHFFFAOYSA-N 2 0 346.471 3.311 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001201044079 1369470625 /nfs/dbraw/zinc/47/06/25/1369470625.db2.gz PEQGCUUAEMFDQW-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1)[NH+](C)C ZINC001201239696 1369502253 /nfs/dbraw/zinc/50/22/53/1369502253.db2.gz LRLBKCDNMYRLOH-VUBAQRPUSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325605992 1388009889 /nfs/dbraw/zinc/00/98/89/1388009889.db2.gz ILLRBDGEHIHWED-WJMWBRGCSA-N 2 0 329.532 3.359 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001201502342 1369558726 /nfs/dbraw/zinc/55/87/26/1369558726.db2.gz HPOHVZHVZRCKHA-UYAOXDASSA-N 2 0 345.531 3.431 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113680417 1369562642 /nfs/dbraw/zinc/56/26/42/1369562642.db2.gz IUXYHVNGOFPKMI-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CCC[C@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001201550274 1369572685 /nfs/dbraw/zinc/57/26/85/1369572685.db2.gz HXAPDIGHFATMNA-IBGZPJMESA-N 2 0 345.531 3.432 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cncc(Cl)c3Cl)cc[nH+]2)CC1 ZINC001201653465 1369597507 /nfs/dbraw/zinc/59/75/07/1369597507.db2.gz AZSOYHZMUZNARM-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP CCOc1ccc(C)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201665268 1369600764 /nfs/dbraw/zinc/60/07/64/1369600764.db2.gz BYWDRWYHEFSVOK-UHFFFAOYSA-N 2 0 326.444 3.284 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc4ccc(O)cc4c3)cc[nH+]2)CC1 ZINC001201666749 1369601337 /nfs/dbraw/zinc/60/13/37/1369601337.db2.gz YRBYDULGOSEYAX-UHFFFAOYSA-N 2 0 334.423 3.436 20 0 EGADRP c1cc(C[N@H+]2CCOCC3(CC[NH+](CC4CCCC4)CC3)C2)ccn1 ZINC001202167203 1369705432 /nfs/dbraw/zinc/70/54/32/1369705432.db2.gz KXLIHKHRSTXJJW-UHFFFAOYSA-N 2 0 343.515 3.186 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001202197114 1369713028 /nfs/dbraw/zinc/71/30/28/1369713028.db2.gz MTKCHARJOWWCPD-MRXNPFEDSA-N 2 0 349.519 3.218 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001202991533 1369947994 /nfs/dbraw/zinc/94/79/94/1369947994.db2.gz OEBPLKIAMRRXGF-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001203010834 1369952514 /nfs/dbraw/zinc/95/25/14/1369952514.db2.gz WSXCKJBLWVTUJC-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1nn(C)c(C)c1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001203063469 1369970151 /nfs/dbraw/zinc/97/01/51/1369970151.db2.gz GUKPGNMQPJFGLM-UHFFFAOYSA-N 2 0 338.499 3.135 20 0 EGADRP Cc1ncc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001203110209 1369986972 /nfs/dbraw/zinc/98/69/72/1369986972.db2.gz YWMSFDURLSZZRB-LJQANCHMSA-N 2 0 340.471 3.255 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203122746 1369989902 /nfs/dbraw/zinc/98/99/02/1369989902.db2.gz JPIVIQQJSARAOP-QZTJIDSGSA-N 2 0 340.471 3.073 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001203213924 1370027188 /nfs/dbraw/zinc/02/71/88/1370027188.db2.gz GKWOFTYEKQEUJS-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]([NH2+]CC3CCC3)C23CCC3)CCCC1 ZINC001203228875 1370032149 /nfs/dbraw/zinc/03/21/49/1370032149.db2.gz CDHUXQGHKLXGJG-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203248712 1370039812 /nfs/dbraw/zinc/03/98/12/1370039812.db2.gz JECPEQOCQQAQBW-VGRIIWOTSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203311689 1370077400 /nfs/dbraw/zinc/07/74/00/1370077400.db2.gz OBEQPMJKZIIZCP-DLBZAZTESA-N 2 0 347.503 3.018 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203324840 1370082506 /nfs/dbraw/zinc/08/25/06/1370082506.db2.gz JCFQZTMSKFUDRV-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330595 1370084866 /nfs/dbraw/zinc/08/48/66/1370084866.db2.gz LQPQIVHEBLUFDV-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001203407052 1370114830 /nfs/dbraw/zinc/11/48/30/1370114830.db2.gz BKBXLJLIVLOQIZ-QGZVFWFLSA-N 2 0 331.504 3.060 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203460292 1370134305 /nfs/dbraw/zinc/13/43/05/1370134305.db2.gz ATFVTHIJNBHCRA-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001114921816 1370150864 /nfs/dbraw/zinc/15/08/64/1370150864.db2.gz UCNODGXDEOLTCE-HCXYKTFWSA-N 2 0 349.563 3.122 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203522704 1370153731 /nfs/dbraw/zinc/15/37/31/1370153731.db2.gz NZNCYQLUDVPNNQ-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203554456 1370167588 /nfs/dbraw/zinc/16/75/88/1370167588.db2.gz CEINVHPLVCKGSF-RTBURBONSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203605255 1370185320 /nfs/dbraw/zinc/18/53/20/1370185320.db2.gz JXIDWJDLYXABOX-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203624816 1370191606 /nfs/dbraw/zinc/19/16/06/1370191606.db2.gz SPWWZVULCXZTRX-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203631409 1370193888 /nfs/dbraw/zinc/19/38/88/1370193888.db2.gz NMFITSWHGCBNEB-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203633042 1370194544 /nfs/dbraw/zinc/19/45/44/1370194544.db2.gz VZGUNOCGSGLNMP-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203641438 1370198057 /nfs/dbraw/zinc/19/80/57/1370198057.db2.gz QZFDXFBSZSNRGR-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2 ZINC001203770906 1370258151 /nfs/dbraw/zinc/25/81/51/1370258151.db2.gz JVNHVFJSXPVZHC-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203771759 1370258853 /nfs/dbraw/zinc/25/88/53/1370258853.db2.gz OJHRDBUNIOKHOT-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CN(C)C1=NOC2(C1)CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC001203883044 1370298447 /nfs/dbraw/zinc/29/84/47/1370298447.db2.gz BLZCVJBNUQCZNP-UHFFFAOYSA-N 2 0 341.377 3.335 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(C[C@H]3CCO)CC2)cc1 ZINC001204264911 1370426121 /nfs/dbraw/zinc/42/61/21/1370426121.db2.gz ZAOKMKCXIHWCQH-LJQANCHMSA-N 2 0 346.515 3.002 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115450435 1370458389 /nfs/dbraw/zinc/45/83/89/1370458389.db2.gz APAFATZPSFPOQE-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001204710807 1370551046 /nfs/dbraw/zinc/55/10/46/1370551046.db2.gz NNNPUAMVTVDUEP-UHFFFAOYSA-N 2 0 347.890 3.279 20 0 EGADRP Brc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001204742668 1370561640 /nfs/dbraw/zinc/56/16/40/1370561640.db2.gz QGBZTGJJYUXQPP-UHFFFAOYSA-N 2 0 329.307 3.476 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001204741894 1370561919 /nfs/dbraw/zinc/56/19/19/1370561919.db2.gz FCFARRFMOXLLJN-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP Oc1cc(Br)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742122 1370562006 /nfs/dbraw/zinc/56/20/06/1370562006.db2.gz IEZANBMBMPTGAR-UHFFFAOYSA-N 2 0 339.277 3.120 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115562931 1370562854 /nfs/dbraw/zinc/56/28/54/1370562854.db2.gz MBTWTMKVNWBHSX-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP Cn1c2ccccc2c(C[N@@H+]2CCO[C@H](CC[NH3+])C2)c1-c1ccccc1 ZINC001204756952 1370569250 /nfs/dbraw/zinc/56/92/50/1370569250.db2.gz UTUJSOZBMSROMZ-GOSISDBHSA-N 2 0 349.478 3.395 20 0 EGADRP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC001204854841 1370591485 /nfs/dbraw/zinc/59/14/85/1370591485.db2.gz SXFZHULUHLULMU-FQEVSTJZSA-N 2 0 336.483 3.137 20 0 EGADRP Cc1cccc(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)c1 ZINC001204863971 1370592921 /nfs/dbraw/zinc/59/29/21/1370592921.db2.gz OIVILNBGTXDBFO-UHFFFAOYSA-N 2 0 327.497 3.024 20 0 EGADRP C[C@@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001204897303 1370599565 /nfs/dbraw/zinc/59/95/65/1370599565.db2.gz WKHURZGOHOYSFB-MOPGFXCFSA-N 2 0 349.522 3.427 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCCC1 ZINC001115611426 1370610402 /nfs/dbraw/zinc/61/04/02/1370610402.db2.gz HWQGMJRHBSYKGX-IBGZPJMESA-N 2 0 349.563 3.482 20 0 EGADRP [NH3+]CCCCCC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001205026129 1370632925 /nfs/dbraw/zinc/63/29/25/1370632925.db2.gz KODIBOLOMMZOJB-UHFFFAOYSA-N 2 0 343.437 3.342 20 0 EGADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC1 ZINC001205123471 1370657095 /nfs/dbraw/zinc/65/70/95/1370657095.db2.gz BFKGOIKACIJVAK-GOSISDBHSA-N 2 0 326.440 3.284 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001205209364 1370681115 /nfs/dbraw/zinc/68/11/15/1370681115.db2.gz IXXDCVUSIUKVBL-MRXNPFEDSA-N 2 0 331.287 3.102 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209137 1370681616 /nfs/dbraw/zinc/68/16/16/1370681616.db2.gz HUHYTHMINUJWEK-LAUBAEHRSA-N 2 0 332.532 3.338 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC001205220047 1370685052 /nfs/dbraw/zinc/68/50/52/1370685052.db2.gz JIXJXYZQHHUPGG-GOSISDBHSA-N 2 0 334.847 3.276 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CCCCCC2)CCCCC1 ZINC001115707899 1370687061 /nfs/dbraw/zinc/68/70/61/1370687061.db2.gz CDHBIMDZEMWNBZ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(F)c(Oc3ccccc3)c2)CC1 ZINC001205240457 1370692136 /nfs/dbraw/zinc/69/21/36/1370692136.db2.gz KTKSZWJXWGNGDI-HXUWFJFHSA-N 2 0 344.430 3.294 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205241990 1370693386 /nfs/dbraw/zinc/69/33/86/1370693386.db2.gz KQTDQJJPZOWHFD-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247152 1370694691 /nfs/dbraw/zinc/69/46/91/1370694691.db2.gz BSOJVOBQHPPYJB-NRFANRHFSA-N 2 0 340.467 3.463 20 0 EGADRP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205247153 1370694699 /nfs/dbraw/zinc/69/46/99/1370694699.db2.gz BSOJVOBQHPPYJB-OAQYLSRUSA-N 2 0 340.467 3.463 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285287 1370706760 /nfs/dbraw/zinc/70/67/60/1370706760.db2.gz VORNEXMAGJEGQV-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726540 1370706992 /nfs/dbraw/zinc/70/69/92/1370706992.db2.gz HJVAAAURSFZMAQ-SJORKVTESA-N 2 0 343.531 3.264 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726708 1370708142 /nfs/dbraw/zinc/70/81/42/1370708142.db2.gz OAQUPQCJVHHRDI-QGZVFWFLSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115729951 1370712433 /nfs/dbraw/zinc/71/24/33/1370712433.db2.gz YWWCUJFUDOUQKX-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCC2([NH2+]CC3CCCC3)CCCCC2)C1 ZINC001115730190 1370713035 /nfs/dbraw/zinc/71/30/35/1370713035.db2.gz FBEVTYWNZXKSRJ-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115730496 1370713383 /nfs/dbraw/zinc/71/33/83/1370713383.db2.gz LFHVFMCWPLCVMH-WMZOPIPTSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1)[NH+](C)C ZINC001115734567 1370717180 /nfs/dbraw/zinc/71/71/80/1370717180.db2.gz STMPONRHGVREKN-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115734307 1370717400 /nfs/dbraw/zinc/71/74/00/1370717400.db2.gz HWPBXEIKZPWJEE-KRWDZBQOSA-N 2 0 325.541 3.316 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001205521514 1370779244 /nfs/dbraw/zinc/77/92/44/1370779244.db2.gz AATJPDAFYYCVGZ-UHFFFAOYSA-N 2 0 328.460 3.195 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001205526191 1370781731 /nfs/dbraw/zinc/78/17/31/1370781731.db2.gz ISDGRYQEDQLWLH-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1OCC1CC1 ZINC001205571810 1370795401 /nfs/dbraw/zinc/79/54/01/1370795401.db2.gz YGHJNJFQEIASDE-IBGZPJMESA-N 2 0 336.451 3.137 20 0 EGADRP Cc1cc(Br)sc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205582249 1370799624 /nfs/dbraw/zinc/79/96/24/1370799624.db2.gz XMSLQOOJYNRXSG-CYBMUJFWSA-N 2 0 335.286 3.472 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618420 1370812442 /nfs/dbraw/zinc/81/24/42/1370812442.db2.gz VVJITXKONMBNDX-OXQOHEQNSA-N 2 0 340.515 3.355 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[NH2+]C(C)(C)C)cc2)C1 ZINC001115966711 1370812516 /nfs/dbraw/zinc/81/25/16/1370812516.db2.gz ZEHVGRIYQALZHH-IAGOWNOFSA-N 2 0 345.531 3.169 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205627390 1370815947 /nfs/dbraw/zinc/81/59/47/1370815947.db2.gz PCBRJOCHVABUNH-NVXWUHKLSA-N 2 0 348.487 3.063 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccnc2OCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205654459 1370830397 /nfs/dbraw/zinc/83/03/97/1370830397.db2.gz WXKFSVBDIXUZSK-MJGOQNOKSA-N 2 0 339.483 3.467 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205674089 1370837269 /nfs/dbraw/zinc/83/72/69/1370837269.db2.gz ZAWPGQFUXOSNQI-SFHVURJKSA-N 2 0 334.847 3.276 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700414 1370846113 /nfs/dbraw/zinc/84/61/13/1370846113.db2.gz CULYPGKQESSSNV-UHFFFAOYSA-N 2 0 342.487 3.212 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001205725569 1370852190 /nfs/dbraw/zinc/85/21/90/1370852190.db2.gz IOFHFGMKEARNRS-OAQYLSRUSA-N 2 0 346.515 3.321 20 0 EGADRP CC(C)(C)C(=O)Nc1ccccc1CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205796976 1370874257 /nfs/dbraw/zinc/87/42/57/1370874257.db2.gz WOOBMBJCAIAMNN-AWEZNQCLSA-N 2 0 339.430 3.087 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccsc1 ZINC001116294917 1370880463 /nfs/dbraw/zinc/88/04/63/1370880463.db2.gz XHSWNLNQXMZXLY-MRXNPFEDSA-N 2 0 329.513 3.346 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC001116393141 1370901891 /nfs/dbraw/zinc/90/18/91/1370901891.db2.gz AIUNGZZUSPSEEE-OAHLLOKOSA-N 2 0 344.890 3.338 20 0 EGADRP c1cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)cc(N2CC[NH2+]CC2)c1 ZINC001205907919 1370906844 /nfs/dbraw/zinc/90/68/44/1370906844.db2.gz GQBBJPWZARNDHN-UHFFFAOYSA-N 2 0 347.506 3.331 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205924438 1370913258 /nfs/dbraw/zinc/91/32/58/1370913258.db2.gz SYWSFBCIUPKRDH-PBHICJAKSA-N 2 0 329.488 3.472 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001205991385 1370932361 /nfs/dbraw/zinc/93/23/61/1370932361.db2.gz ANNCCLSKIGCYPW-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)no2)cc1 ZINC001205996711 1370933031 /nfs/dbraw/zinc/93/30/31/1370933031.db2.gz XVZXYHLKHFYGFF-GDBMZVCRSA-N 2 0 329.444 3.157 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1OC ZINC001206002805 1370934193 /nfs/dbraw/zinc/93/41/93/1370934193.db2.gz BISHFQINPULXBN-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(Br)c2F)CCC[C@H]1C[NH3+] ZINC001206004742 1370935648 /nfs/dbraw/zinc/93/56/48/1370935648.db2.gz UVXWSCFUDJTTOV-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1CN(Cc2cc(Cl)cnc2Br)CCC[C@@H]1C[NH3+] ZINC001206011212 1370936961 /nfs/dbraw/zinc/93/69/61/1370936961.db2.gz APXSCDZAJLLUOX-WDEREUQCSA-N 2 0 346.700 3.304 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206025082 1370942660 /nfs/dbraw/zinc/94/26/60/1370942660.db2.gz MBSVAZJUZBXZMU-VXGBXAGGSA-N 2 0 332.366 3.098 20 0 EGADRP C[C@@H]1C[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CCC[C@H]1C[NH3+] ZINC001206036697 1370944894 /nfs/dbraw/zinc/94/48/94/1370944894.db2.gz OEZPGUSNDNKDDN-NEPJUHHUSA-N 2 0 340.393 3.389 20 0 EGADRP C[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCC[C@@H]1C[NH3+] ZINC001206036654 1370945321 /nfs/dbraw/zinc/94/53/21/1370945321.db2.gz NGMKWUZKVATPKN-FXAWDEMLSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CCC[C@@H]1C[NH3+] ZINC001206037508 1370945799 /nfs/dbraw/zinc/94/57/99/1370945799.db2.gz VZAVZXBRRJFKAK-NXEZZACHSA-N 2 0 342.274 3.023 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1OC(F)(F)F ZINC001206037368 1370945858 /nfs/dbraw/zinc/94/58/58/1370945858.db2.gz VEAJHXABDNJPMV-TZMCWYRMSA-N 2 0 346.393 3.401 20 0 EGADRP Cn1cnc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001206248807 1371003388 /nfs/dbraw/zinc/00/33/88/1371003388.db2.gz COYKOLMSJRNVAM-UHFFFAOYSA-N 2 0 338.499 3.298 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001206275473 1371009722 /nfs/dbraw/zinc/00/97/22/1371009722.db2.gz SYCDDLBNIUBBTM-QWNKOJSDSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206324399 1371022322 /nfs/dbraw/zinc/02/23/22/1371022322.db2.gz AMRAVCGORXXIHH-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481743 1371068786 /nfs/dbraw/zinc/06/87/86/1371068786.db2.gz JWUYEUZRRALJCQ-PHWHVTFISA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206488472 1371070975 /nfs/dbraw/zinc/07/09/75/1371070975.db2.gz UVSQHVMOBKOZKI-AATRIKPKSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)C1 ZINC001206573884 1371097279 /nfs/dbraw/zinc/09/72/79/1371097279.db2.gz OQWNHQXZIZOQRQ-OAHLLOKOSA-N 2 0 332.366 3.242 20 0 EGADRP COc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc2c1OCC=C2 ZINC001206606522 1371107270 /nfs/dbraw/zinc/10/72/70/1371107270.db2.gz NZWWZJPCUALUFO-SFHVURJKSA-N 2 0 330.472 3.453 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001206621946 1371110726 /nfs/dbraw/zinc/11/07/26/1371110726.db2.gz NWPUMABYZLEOSM-YFHOEESVSA-N 2 0 343.943 3.079 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2nccnc2-c2ccc(Cl)cc2)C1 ZINC001206622516 1371111665 /nfs/dbraw/zinc/11/16/65/1371111665.db2.gz DQFAHSJEMNAQEQ-AWEZNQCLSA-N 2 0 330.863 3.358 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001206624322 1371111699 /nfs/dbraw/zinc/11/16/99/1371111699.db2.gz UQUNAAXXILPKRV-OAHLLOKOSA-N 2 0 330.863 3.358 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001206653608 1371121668 /nfs/dbraw/zinc/12/16/68/1371121668.db2.gz ILPQLAJEGJBXGT-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001206653736 1371121733 /nfs/dbraw/zinc/12/17/33/1371121733.db2.gz OTENHLPEIYRHKE-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP COc1ccc(F)c(F)c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206756107 1371154840 /nfs/dbraw/zinc/15/48/40/1371154840.db2.gz WZQYJDXTNJVAFZ-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1OC(=O)C(C)C ZINC001206769718 1371159447 /nfs/dbraw/zinc/15/94/47/1371159447.db2.gz PRKFOKFWEOVMKU-RDJZCZTQSA-N 2 0 348.487 3.206 20 0 EGADRP Cc1ncc(CN([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)n1C ZINC001206796117 1371169346 /nfs/dbraw/zinc/16/93/46/1371169346.db2.gz RKZVKQZNCHBPPP-IIBYNOLFSA-N 2 0 338.499 3.386 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001206794078 1371169555 /nfs/dbraw/zinc/16/95/55/1371169555.db2.gz HZHRDJWJEXYLOG-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CCC3CCCCCC3)CC2)C1 ZINC001206928601 1371230055 /nfs/dbraw/zinc/23/00/55/1371230055.db2.gz BMWZXQAYKJSZMP-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(C(F)F)c1 ZINC001207133356 1371305089 /nfs/dbraw/zinc/30/50/89/1371305089.db2.gz QCSPJXYXWHEETJ-UHFFFAOYSA-N 2 0 327.463 3.330 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001207283354 1371350894 /nfs/dbraw/zinc/35/08/94/1371350894.db2.gz XFZVITOPUDMTAI-NRFANRHFSA-N 2 0 329.532 3.172 20 0 EGADRP CCC[N@H+](CC(C)(C)C[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207289139 1371352472 /nfs/dbraw/zinc/35/24/72/1371352472.db2.gz ZVADYARQKUCOAZ-INIZCTEOSA-N 2 0 341.540 3.296 20 0 EGADRP F[C@@H]1CSC2(C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207292721 1371352686 /nfs/dbraw/zinc/35/26/86/1371352686.db2.gz XELXOMACEHWBBR-SFHVURJKSA-N 2 0 334.504 3.428 20 0 EGADRP c1ccc(C[NH+]2CCC(CN3CCC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC001207291731 1371352721 /nfs/dbraw/zinc/35/27/21/1371352721.db2.gz WETKBQVXTBHHCF-OAQYLSRUSA-N 2 0 327.516 3.069 20 0 EGADRP FC1CN(C2CC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001207292790 1371353159 /nfs/dbraw/zinc/35/31/59/1371353159.db2.gz ZMSQGMZDOVXDTO-UHFFFAOYSA-N 2 0 345.506 3.017 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001207293786 1371354466 /nfs/dbraw/zinc/35/44/66/1371354466.db2.gz LJMXXKWVLLDJJB-FGZHOGPDSA-N 3 0 341.543 3.172 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207336935 1371364862 /nfs/dbraw/zinc/36/48/62/1371364862.db2.gz MVJKFJQCKFSWFC-NCPJDUFYSA-N 2 0 335.536 3.044 20 0 EGADRP c1nc(CC[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)cs1 ZINC001119624331 1371377546 /nfs/dbraw/zinc/37/75/46/1371377546.db2.gz LFRCDZGYMWTFGZ-JJTKIYQPSA-N 2 0 327.497 3.186 20 0 EGADRP C[NH+]1CCC(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC001207399200 1371383880 /nfs/dbraw/zinc/38/38/80/1371383880.db2.gz HTOKQAUWPFQMLJ-BZSNNMDCSA-N 2 0 336.520 3.303 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](CC1CC[NH2+]CC1)[C@@H]1CN2CCC1CC2 ZINC001207441028 1371396428 /nfs/dbraw/zinc/39/64/28/1371396428.db2.gz OWCNTVJNPISNRX-DYESRHJHSA-N 2 0 327.516 3.143 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001207467677 1371403995 /nfs/dbraw/zinc/40/39/95/1371403995.db2.gz HHDFYZSZVKBYJG-IZZBFERCSA-N 2 0 343.515 3.041 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](CCC2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001207486773 1371410377 /nfs/dbraw/zinc/41/03/77/1371410377.db2.gz CPNCHGDORMETOH-VQTJNVASSA-N 2 0 344.499 3.345 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3N3CCCC3)C[C@H]2C1 ZINC001119987918 1371442992 /nfs/dbraw/zinc/44/29/92/1371442992.db2.gz CNMALJMTWYPXEU-DFQSSKMNSA-N 2 0 327.516 3.449 20 0 EGADRP c1cn(Cc2nnn3c2C[N@H+](CCCC2CCCCC2)CCC3)cn1 ZINC001207607134 1371450579 /nfs/dbraw/zinc/45/05/79/1371450579.db2.gz HXCIODQPNLHJEQ-UHFFFAOYSA-N 2 0 342.491 3.089 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001120046208 1371468103 /nfs/dbraw/zinc/46/81/03/1371468103.db2.gz QZEVYAMZGHIHHK-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](CC2CCSCC2)CC1 ZINC001207756834 1371495704 /nfs/dbraw/zinc/49/57/04/1371495704.db2.gz QFUNNMZWLQEZLW-UHFFFAOYSA-N 2 0 341.609 3.259 20 0 EGADRP CC1CCC(N(C(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)C2CC2)CC1 ZINC001326277123 1388140655 /nfs/dbraw/zinc/14/06/55/1388140655.db2.gz JIAWMPVFQPVRRM-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120207841 1371504205 /nfs/dbraw/zinc/50/42/05/1371504205.db2.gz IOHRQFPVSHERPS-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790711 1371505189 /nfs/dbraw/zinc/50/51/89/1371505189.db2.gz XEQLKJFDDNMIEO-SJLPKXTDSA-N 2 0 335.536 3.042 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)N(C)C)CCCCC1 ZINC001120212796 1371505839 /nfs/dbraw/zinc/50/58/39/1371505839.db2.gz AUFPSNPLSQDHAN-LJQANCHMSA-N 2 0 345.531 3.498 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)CC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207818265 1371512723 /nfs/dbraw/zinc/51/27/23/1371512723.db2.gz NUDVIRXDXCYRKW-UHFFFAOYSA-N 2 0 341.540 3.297 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001207956563 1371550409 /nfs/dbraw/zinc/55/04/09/1371550409.db2.gz ANAZFHGBRXKWHB-AYWYSENESA-N 2 0 343.515 3.183 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCCO4)CC[C@H]3C2)cc1 ZINC001207963314 1371552737 /nfs/dbraw/zinc/55/27/37/1371552737.db2.gz FVCLGXMKDAOHPN-HBMCJLEFSA-N 2 0 328.500 3.400 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120403198 1371563604 /nfs/dbraw/zinc/56/36/04/1371563604.db2.gz WISDPPQDFGZIIX-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208015058 1371569824 /nfs/dbraw/zinc/56/98/24/1371569824.db2.gz XBARVMGCEFTKAP-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049740 1371580227 /nfs/dbraw/zinc/58/02/27/1371580227.db2.gz QMMJIQYQKZQLFO-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120450339 1371581601 /nfs/dbraw/zinc/58/16/01/1371581601.db2.gz VEBGYLNEQPPGMR-KJYWSYJISA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001120450553 1371581727 /nfs/dbraw/zinc/58/17/27/1371581727.db2.gz WMURKAHAKGEHOD-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001120449698 1371581731 /nfs/dbraw/zinc/58/17/31/1371581731.db2.gz OZMXJCUVSPXGMO-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120469610 1371587767 /nfs/dbraw/zinc/58/77/67/1371587767.db2.gz LDAIZCMNZURLIB-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)CC1 ZINC001208108943 1371596382 /nfs/dbraw/zinc/59/63/82/1371596382.db2.gz HBOUNKQJGDPIJD-UHFFFAOYSA-N 2 0 344.474 3.478 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208114182 1371599929 /nfs/dbraw/zinc/59/99/29/1371599929.db2.gz TVAYGWLJYRNDTM-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)CC1(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC001208188152 1371627919 /nfs/dbraw/zinc/62/79/19/1371627919.db2.gz UHSNWQBTCUTSTI-SFTDATJTSA-N 2 0 341.543 3.315 20 0 EGADRP COc1ccc(OC2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)nc1 ZINC001208189860 1371631117 /nfs/dbraw/zinc/63/11/17/1371631117.db2.gz ZQLSFFTZEYMDJD-UHFFFAOYSA-N 2 0 347.503 3.055 20 0 EGADRP COC(C)(C)CCC[C@H](C)CCN(CC[NH+](C)C)CC[NH+](C)C ZINC001208206837 1371648575 /nfs/dbraw/zinc/64/85/75/1371648575.db2.gz TWDAVFQVMFFGQS-SFHVURJKSA-N 2 0 329.573 3.033 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208330689 1371720179 /nfs/dbraw/zinc/72/01/79/1371720179.db2.gz COEXHLHNEXKTIX-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208358699 1371733220 /nfs/dbraw/zinc/73/32/20/1371733220.db2.gz LZEONEUNWVTETH-YSKLNCTFSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208474735 1371781294 /nfs/dbraw/zinc/78/12/94/1371781294.db2.gz OXNITVMSEHHNHP-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001208589806 1371830029 /nfs/dbraw/zinc/83/00/29/1371830029.db2.gz YWXJRVTYQBEFSO-LEWJYISDSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208592477 1371831317 /nfs/dbraw/zinc/83/13/17/1371831317.db2.gz JAXIELNCVFMDLR-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)CC1 ZINC001208598936 1371834841 /nfs/dbraw/zinc/83/48/41/1371834841.db2.gz BGRQZOMOTBNING-HXUWFJFHSA-N 2 0 332.488 3.270 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(N3CCc4ccccc4C3)CC2)CC1 ZINC001208602160 1371835981 /nfs/dbraw/zinc/83/59/81/1371835981.db2.gz ZKYFXDNQKYRHAB-UHFFFAOYSA-N 3 0 341.543 3.241 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](C(=O)OC)C[C@@H]2c2ccccc2)CC1 ZINC001208602844 1371836244 /nfs/dbraw/zinc/83/62/44/1371836244.db2.gz OYZGDMCCOXJTHL-VQTJNVASSA-N 2 0 344.499 3.345 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)C[C@H]1CCC[NH+](C)C1 ZINC001208607307 1371838221 /nfs/dbraw/zinc/83/82/21/1371838221.db2.gz LJSPOJFQJXGKOT-SESVDKBCSA-N 2 0 329.532 3.171 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)C1 ZINC001208606264 1371838335 /nfs/dbraw/zinc/83/83/35/1371838335.db2.gz DPHMAYXGGHSASW-INIZCTEOSA-N 2 0 340.471 3.258 20 0 EGADRP CC[N@H+](Cc1ccccc1)C1CCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208608661 1371838725 /nfs/dbraw/zinc/83/87/25/1371838725.db2.gz RCRSHMKCPHAMRE-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001208617246 1371843572 /nfs/dbraw/zinc/84/35/72/1371843572.db2.gz OAXKXMTZIMCHKD-XBJCXQGOSA-N 2 0 343.559 3.223 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCCC(C)C)C3)CC[N@@H+]1C ZINC001121134197 1371862845 /nfs/dbraw/zinc/86/28/45/1371862845.db2.gz XQJJOGDZKDRPHN-JSMKSKOISA-N 2 0 349.563 3.170 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121193381 1371885268 /nfs/dbraw/zinc/88/52/68/1371885268.db2.gz BADVZCDBEXAAHZ-FCOWATRHSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208799037 1371899843 /nfs/dbraw/zinc/89/98/43/1371899843.db2.gz WSDRWFRTPTWXMR-MISYRCLQSA-N 2 0 344.499 3.030 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2)[NH+](C)C ZINC001121301845 1371928918 /nfs/dbraw/zinc/92/89/18/1371928918.db2.gz CRMDIMPYQDUXSK-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001208946772 1371959428 /nfs/dbraw/zinc/95/94/28/1371959428.db2.gz ILSJSXHXHUQPBW-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP COC[C@@]12CCC[C@@H]1C[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208948051 1371959604 /nfs/dbraw/zinc/95/96/04/1371959604.db2.gz WOIOCFRAUOWQEI-NJYVYQBISA-N 2 0 328.500 3.257 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950108 1371960825 /nfs/dbraw/zinc/96/08/25/1371960825.db2.gz PSGQATOHADXUTH-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC001208948767 1371961167 /nfs/dbraw/zinc/96/11/67/1371961167.db2.gz IECAFTNRTREZMX-JOCHJYFZSA-N 2 0 341.543 3.316 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001121508872 1371994777 /nfs/dbraw/zinc/99/47/77/1371994777.db2.gz ZSZZQQDVMFHWEW-AATRIKPKSA-N 2 0 347.547 3.234 20 0 EGADRP COCC[N@H+](CCc1ccc(F)cc1Cl)C1CCN(C)CC1 ZINC001209113322 1372002043 /nfs/dbraw/zinc/00/20/43/1372002043.db2.gz QXESOXAGHFOPLS-UHFFFAOYSA-N 2 0 328.859 3.064 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2)[NH+](CC)CC ZINC001121760981 1372072698 /nfs/dbraw/zinc/07/26/98/1372072698.db2.gz DRUWUTJMJNBXAY-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2)[NH+](CC)CC ZINC001121761435 1372073047 /nfs/dbraw/zinc/07/30/47/1372073047.db2.gz LSCPCTDHVKYLEA-WLGSGIEKSA-N 2 0 349.563 3.170 20 0 EGADRP CCOC(=O)CCCCCC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209352464 1372074891 /nfs/dbraw/zinc/07/48/91/1372074891.db2.gz RNYSFVHCJTWRLD-UHFFFAOYSA-N 2 0 342.499 3.398 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001121779015 1372078748 /nfs/dbraw/zinc/07/87/48/1372078748.db2.gz IXVHORKTTDQBBV-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209405665 1372095443 /nfs/dbraw/zinc/09/54/43/1372095443.db2.gz YOXAFBWYMJXNIR-IDPBPBMLSA-N 2 0 328.500 3.254 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC001209451902 1372108821 /nfs/dbraw/zinc/10/88/21/1372108821.db2.gz VYXGGOCTASKFIN-FGZHOGPDSA-N 2 0 341.543 3.235 20 0 EGADRP CC[C@H](C[N@H+](C)CC1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001209458993 1372111604 /nfs/dbraw/zinc/11/16/04/1372111604.db2.gz SCOIWBZZLGAYTO-QGZVFWFLSA-N 2 0 341.540 3.342 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CCCCC1CC[NH2+]CC1)c1cccs1 ZINC001121897104 1372117404 /nfs/dbraw/zinc/11/74/04/1372117404.db2.gz IHVWRIJJFBSACS-MRXNPFEDSA-N 2 0 337.533 3.027 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209613084 1372151057 /nfs/dbraw/zinc/15/10/57/1372151057.db2.gz GQCVFPIFKIILRG-DYCGFVMMSA-N 2 0 337.552 3.434 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122093477 1372173220 /nfs/dbraw/zinc/17/32/20/1372173220.db2.gz CXLVYDUFUDLEMP-AATRIKPKSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001122100920 1372174387 /nfs/dbraw/zinc/17/43/87/1372174387.db2.gz GGMXMTNDMWQWDO-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Nc1ccncc1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001209729761 1372178352 /nfs/dbraw/zinc/17/83/52/1372178352.db2.gz AWEFEHOLGRGMLB-LEWJYISDSA-N 2 0 337.467 3.106 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231805 1372207733 /nfs/dbraw/zinc/20/77/33/1372207733.db2.gz YOXCVRRYEFBXHZ-RUEDAHMLSA-N 2 0 335.536 3.066 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)C(C)C ZINC001210189364 1372291577 /nfs/dbraw/zinc/29/15/77/1372291577.db2.gz CXHHIMDZPUVRBB-MSOLQXFVSA-N 2 0 343.531 3.073 20 0 EGADRP Clc1ccc2c(cncc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210262586 1372309017 /nfs/dbraw/zinc/30/90/17/1372309017.db2.gz HTZBKYMWQXLSAG-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP Clc1ccnc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cccc12 ZINC001210267585 1372310414 /nfs/dbraw/zinc/31/04/14/1372310414.db2.gz KEHLAGAYOMGVLB-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP Clc1cc2cnccc2c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210267730 1372311489 /nfs/dbraw/zinc/31/14/89/1372311489.db2.gz LZYTYRZUYUUPFS-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP c1csc(-c2ccccc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)n1 ZINC001210271314 1372312142 /nfs/dbraw/zinc/31/21/42/1372312142.db2.gz MTXSFHPKMWASRZ-UHFFFAOYSA-N 2 0 337.452 3.358 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428938 1372351479 /nfs/dbraw/zinc/35/14/79/1372351479.db2.gz WYEVXPWKIMZLNQ-HCZHMGAMSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC001210542879 1372374972 /nfs/dbraw/zinc/37/49/72/1372374972.db2.gz CGMCUZIFEPJKNA-UHFFFAOYSA-N 2 0 349.522 3.429 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001210634057 1372397092 /nfs/dbraw/zinc/39/70/92/1372397092.db2.gz KMWVBOIFWFHRLG-LJQANCHMSA-N 2 0 337.552 3.435 20 0 EGADRP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210642711 1372398147 /nfs/dbraw/zinc/39/81/47/1372398147.db2.gz GKPITVAKBLZYLC-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001210772894 1372424484 /nfs/dbraw/zinc/42/44/84/1372424484.db2.gz DGUULDUDLLBWIL-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001210796746 1372428018 /nfs/dbraw/zinc/42/80/18/1372428018.db2.gz JIPVYKPSGJHUEB-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001210797522 1372428162 /nfs/dbraw/zinc/42/81/62/1372428162.db2.gz UCTVCAYWCNXOGN-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126214 1372488177 /nfs/dbraw/zinc/48/81/77/1372488177.db2.gz PCFROFATPDTXGE-ZRHASKPBSA-N 2 0 335.536 3.189 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001211126908 1372488185 /nfs/dbraw/zinc/48/81/85/1372488185.db2.gz WQSFPNJFDGBPEI-HXUWFJFHSA-N 2 0 347.547 3.334 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001211146699 1372490370 /nfs/dbraw/zinc/49/03/70/1372490370.db2.gz IUQDTVYSVPKTNA-GOSISDBHSA-N 2 0 349.544 3.095 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211240162 1372509544 /nfs/dbraw/zinc/50/95/44/1372509544.db2.gz GGQLYTBCKCJKEB-PRPIBZDOSA-N 2 0 343.515 3.299 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001211284105 1372520494 /nfs/dbraw/zinc/52/04/94/1372520494.db2.gz IYKLVKNHJVFDMG-RTBURBONSA-N 2 0 345.531 3.285 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001211285619 1372520609 /nfs/dbraw/zinc/52/06/09/1372520609.db2.gz QDNUAGJEZITTHV-RTBURBONSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001211285618 1372520654 /nfs/dbraw/zinc/52/06/54/1372520654.db2.gz QDNUAGJEZITTHV-RBUKOAKNSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)c1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001211369699 1372541064 /nfs/dbraw/zinc/54/10/64/1372541064.db2.gz NYEMXFSEZATJGL-YLJYHZDGSA-N 2 0 345.531 3.087 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001211366633 1372541767 /nfs/dbraw/zinc/54/17/67/1372541767.db2.gz HJXALKAGKLSAIC-KURKYZTESA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)C1 ZINC001211884508 1372627729 /nfs/dbraw/zinc/62/77/29/1372627729.db2.gz GVAUODLZXUIOPP-JQIVSHAJSA-N 2 0 339.443 3.259 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc[nH+]c(C(C)(C)C)c2)CC1 ZINC001213164674 1372851540 /nfs/dbraw/zinc/85/15/40/1372851540.db2.gz XISXVNSIIBXYMD-UHFFFAOYSA-N 3 0 325.460 3.270 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001326520147 1388227397 /nfs/dbraw/zinc/22/73/97/1388227397.db2.gz WRZNGLMQXZCEQH-IRXDYDNUSA-N 2 0 348.560 3.263 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636982 1373094364 /nfs/dbraw/zinc/09/43/64/1373094364.db2.gz ZJEHZHJOERQKDE-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC001127344136 1373117568 /nfs/dbraw/zinc/11/75/68/1373117568.db2.gz GKRCCOBUDGDRET-MJGOQNOKSA-N 2 0 343.515 3.108 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214780085 1373118015 /nfs/dbraw/zinc/11/80/15/1373118015.db2.gz KAJBUZMESHAEBS-KURKYZTESA-N 2 0 337.552 3.124 20 0 EGADRP O=C(NCC[NH2+]CC1CCCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356834 1373118886 /nfs/dbraw/zinc/11/88/86/1373118886.db2.gz OUIWGJBGQGKLIP-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001188118471 1388244391 /nfs/dbraw/zinc/24/43/91/1388244391.db2.gz WOMYACBSNUAJKW-IEBWSBKVSA-N 2 0 345.531 3.235 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001214999878 1373154090 /nfs/dbraw/zinc/15/40/90/1373154090.db2.gz QVMJLGIXFAMADC-ZHALLVOQSA-N 2 0 345.531 3.223 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215930098 1373251313 /nfs/dbraw/zinc/25/13/13/1373251313.db2.gz OLOMVDVTVSWDRQ-OXQOHEQNSA-N 2 0 345.531 3.235 20 0 EGADRP COc1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1C1CC1 ZINC001216251169 1373289455 /nfs/dbraw/zinc/28/94/55/1373289455.db2.gz HJGHKTHNANPEAY-UHFFFAOYSA-N 2 0 338.455 3.463 20 0 EGADRP Cc1cnccc1-c1noc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)n1 ZINC001217044976 1373382064 /nfs/dbraw/zinc/38/20/64/1373382064.db2.gz XZJBCYXXVJULFR-UHFFFAOYSA-N 2 0 349.438 3.030 20 0 EGADRP CC1(C)[NH2+][C@@H](CO[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC001217847162 1373506757 /nfs/dbraw/zinc/50/67/57/1373506757.db2.gz DSJQITVKHGEAID-ROUUACIJSA-N 2 0 332.488 3.028 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CCC[NH2+]C[C@@H]4F)cc32)CC1 ZINC001217947679 1373516135 /nfs/dbraw/zinc/51/61/35/1373516135.db2.gz JIGHXVYUJZJRPU-ICSRJNTNSA-N 2 0 345.462 3.446 20 0 EGADRP C[N@@H+]1CCc2cc(Cl)c(OC3C[NH2+]C3)cc2[C@@H](c2ccccc2)C1 ZINC001218053195 1373548332 /nfs/dbraw/zinc/54/83/32/1373548332.db2.gz SXJKDJQOTUXBJM-GOSISDBHSA-N 2 0 342.870 3.310 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@@H]45)cc32)CC1 ZINC001218459537 1373617966 /nfs/dbraw/zinc/61/79/66/1373617966.db2.gz GLSLZDQVWCFACD-QFIXIFRTSA-N 2 0 339.483 3.354 20 0 EGADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c2ccsc2n1 ZINC001218759010 1373652998 /nfs/dbraw/zinc/65/29/98/1373652998.db2.gz DUVJMRKEXXPYTN-AWEZNQCLSA-N 2 0 334.489 3.039 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001218997705 1373676712 /nfs/dbraw/zinc/67/67/12/1373676712.db2.gz WDMWFMAGGTYAKX-AABGKKOBSA-N 2 0 349.478 3.095 20 0 EGADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2cccc(O)c2)cc1 ZINC001219493487 1373711862 /nfs/dbraw/zinc/71/18/62/1373711862.db2.gz TVJRESCKMWORBP-IBGZPJMESA-N 2 0 341.455 3.057 20 0 EGADRP [NH3+][C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC001219818252 1373733756 /nfs/dbraw/zinc/73/37/56/1373733756.db2.gz AQGNOMHNLOYUHB-NJYVYQBISA-N 2 0 345.446 3.059 20 0 EGADRP CC(C)C[C@@](C)([NH3+])C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204201 1373767775 /nfs/dbraw/zinc/76/77/75/1373767775.db2.gz HXMOCZMGVINGNY-UYAOXDASSA-N 2 0 349.494 3.136 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001221933713 1373806414 /nfs/dbraw/zinc/80/64/14/1373806414.db2.gz LOAKINMMUAPKFU-VAMGGRTRSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccc(-c2ccc(C[NH+]3CCC4(CC3)C[NH2+]CCO4)cc2)o1 ZINC001222208518 1373821158 /nfs/dbraw/zinc/82/11/58/1373821158.db2.gz OWSPENNKNKBVFM-UHFFFAOYSA-N 2 0 326.440 3.209 20 0 EGADRP c1nn(CC[NH+]2CCCC2)cc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC001222499337 1373850002 /nfs/dbraw/zinc/85/00/02/1373850002.db2.gz BQPVBTRAEILBHX-UHFFFAOYSA-N 2 0 339.487 3.027 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3Cc4ccccc4[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001222557586 1373853067 /nfs/dbraw/zinc/85/30/67/1373853067.db2.gz BPFYURRBIMMJIW-VJBMBRPKSA-N 2 0 347.506 3.080 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)c2ccc(C3CC[NH+](C)CC3)cc2)cc1 ZINC001188309201 1388288319 /nfs/dbraw/zinc/28/83/19/1388288319.db2.gz ZWTJVBZGSHXWFD-UHFFFAOYSA-N 2 0 337.467 3.468 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001188324969 1388290772 /nfs/dbraw/zinc/29/07/72/1388290772.db2.gz FAQJYHMJBSVHAJ-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929432 1375047933 /nfs/dbraw/zinc/04/79/33/1375047933.db2.gz VNYVRRMGLUVKLY-XQQSMPNESA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557883 1375124767 /nfs/dbraw/zinc/12/47/67/1375124767.db2.gz UYWZDDVXHVPIMA-ARJAWSKDSA-N 2 0 335.536 3.047 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001225577867 1375126728 /nfs/dbraw/zinc/12/67/28/1375126728.db2.gz LZMDPEJFOJXRJN-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CCCCC1 ZINC001132110668 1375153526 /nfs/dbraw/zinc/15/35/26/1375153526.db2.gz KUZPXCGMMYITPI-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152382 1375171830 /nfs/dbraw/zinc/17/18/30/1375171830.db2.gz BBCPGUHFFRBFRY-RDJZCZTQSA-N 2 0 325.541 3.122 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCC2)C1 ZINC001132153833 1375174351 /nfs/dbraw/zinc/17/43/51/1375174351.db2.gz UFMWOGJJMJBENV-FUHWJXTLSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214965 1375213992 /nfs/dbraw/zinc/21/39/92/1375213992.db2.gz PQXQVGSZMWLFGR-XXCOWLKOSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226553929 1375280165 /nfs/dbraw/zinc/28/01/65/1375280165.db2.gz IMGXSEXUQXFHRC-RCCFBDPRSA-N 2 0 343.531 3.264 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001226553753 1375280230 /nfs/dbraw/zinc/28/02/30/1375280230.db2.gz GHUCXMBHDJBGNY-GVDBMIGSSA-N 2 0 343.531 3.120 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CCCCCF ZINC001132311700 1375289689 /nfs/dbraw/zinc/28/96/89/1375289689.db2.gz WYYUCYWBCLMONO-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315415 1375292837 /nfs/dbraw/zinc/29/28/37/1375292837.db2.gz SWDPJYFURFFWSK-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC)C1 ZINC001132364632 1375328449 /nfs/dbraw/zinc/32/84/49/1375328449.db2.gz CZYBLGZNUMYSSW-ROUUACIJSA-N 2 0 325.541 3.268 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226784782 1375333815 /nfs/dbraw/zinc/33/38/15/1375333815.db2.gz NLSZDYLKMKKOOW-FQEVSTJZSA-N 2 0 327.516 3.259 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132376700 1375338074 /nfs/dbraw/zinc/33/80/74/1375338074.db2.gz PKYXJVAJESFQIA-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226799584 1375338348 /nfs/dbraw/zinc/33/83/48/1375338348.db2.gz CQCFDTXHALWLTH-IWOQZAADSA-N 2 0 335.536 3.090 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132410707 1375360190 /nfs/dbraw/zinc/36/01/90/1375360190.db2.gz NADOOFHAKUFQJX-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132434560 1375378304 /nfs/dbraw/zinc/37/83/04/1375378304.db2.gz YJUXQEGTWKDLKK-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)C)C1 ZINC001132436534 1375381062 /nfs/dbraw/zinc/38/10/62/1375381062.db2.gz LWORHLYFTQZAFM-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132440738 1375384232 /nfs/dbraw/zinc/38/42/32/1375384232.db2.gz FHMNFTMRWQXGTF-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(C)cc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517337 1375435898 /nfs/dbraw/zinc/43/58/98/1375435898.db2.gz BCPVOVDXSTZIGM-UYAOXDASSA-N 2 0 345.531 3.113 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)c(C)c1 ZINC001132518979 1375437219 /nfs/dbraw/zinc/43/72/19/1375437219.db2.gz QSWPUEULKUYPEX-UYAOXDASSA-N 2 0 345.531 3.113 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)c(C)c1 ZINC001132518977 1375437487 /nfs/dbraw/zinc/43/74/87/1375437487.db2.gz QSWPUEULKUYPEX-ICSRJNTNSA-N 2 0 345.531 3.113 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CCCCC1 ZINC001132523877 1375439074 /nfs/dbraw/zinc/43/90/74/1375439074.db2.gz BJMNYJORIKCOBW-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2c[nH]cn2)CC1 ZINC001227705393 1375464174 /nfs/dbraw/zinc/46/41/74/1375464174.db2.gz GCECWVGEYUXSRY-IBGZPJMESA-N 2 0 340.471 3.074 20 0 EGADRP C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227750582 1375471032 /nfs/dbraw/zinc/47/10/32/1375471032.db2.gz MBDILKQISBXCMZ-GVDBMIGSSA-N 2 0 341.515 3.016 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CC/C=C\c2ccccc2)CC1)[NH+](C)C ZINC001227987404 1375498244 /nfs/dbraw/zinc/49/82/44/1375498244.db2.gz ZDFOABBTQYDCLZ-VUBAQRPUSA-N 2 0 343.515 3.011 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001228355493 1375555631 /nfs/dbraw/zinc/55/56/31/1375555631.db2.gz PWIKYQKNDAIGFO-BHIYHBOVSA-N 2 0 331.504 3.025 20 0 EGADRP CCC/C=C/CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790528 1375565733 /nfs/dbraw/zinc/56/57/33/1375565733.db2.gz HLCLXIHGXPFTEV-VZSQWMKGSA-N 2 0 335.536 3.236 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791357 1375566865 /nfs/dbraw/zinc/56/68/65/1375566865.db2.gz XVKYPIORXVDRKT-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228619053 1375619295 /nfs/dbraw/zinc/61/92/95/1375619295.db2.gz RXDQGMUQYNLHHE-LXORQPIJSA-N 2 0 349.563 3.482 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132893871 1375630084 /nfs/dbraw/zinc/63/00/84/1375630084.db2.gz SZGWCTXWLASWMW-YZPMEYCISA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C(C)C ZINC001228852968 1375694722 /nfs/dbraw/zinc/69/47/22/1375694722.db2.gz MEWAWNPBFREMEM-OSFIAYCASA-N 2 0 346.519 3.380 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133012306 1375711187 /nfs/dbraw/zinc/71/11/87/1375711187.db2.gz QSUNDNARQPXDMS-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064544 1375753444 /nfs/dbraw/zinc/75/34/44/1375753444.db2.gz NUSAXTLVHGQAAU-SJLPKXTDSA-N 2 0 349.519 3.075 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001133072041 1375758706 /nfs/dbraw/zinc/75/87/06/1375758706.db2.gz DLLNCHKVSWPFIY-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133122982 1375787832 /nfs/dbraw/zinc/78/78/32/1375787832.db2.gz WYNJFWHJNHVXJC-PWBPZBFBSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133263089 1375878920 /nfs/dbraw/zinc/87/89/20/1375878920.db2.gz PAPRASKPENWMRA-HMTUNPETSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133263090 1375879244 /nfs/dbraw/zinc/87/92/44/1375879244.db2.gz PAPRASKPENWMRA-LXORQPIJSA-N 2 0 337.552 3.149 20 0 EGADRP CCC(=O)C1(c2cccc(O[C@@H]3CC[N@@H+](CC)C3)c2)CC[NH+](C)CC1 ZINC001229731667 1375882080 /nfs/dbraw/zinc/88/20/80/1375882080.db2.gz BEJQKKBFUQDQBU-LJQANCHMSA-N 2 0 344.499 3.102 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC001229837266 1375901447 /nfs/dbraw/zinc/90/14/47/1375901447.db2.gz DCCBVGXDAAXEFF-MISYRCLQSA-N 2 0 345.531 3.497 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133336726 1375930167 /nfs/dbraw/zinc/93/01/67/1375930167.db2.gz DNKSCYMSIDQFRP-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)CCCC[NH+](C)C)CC2)c1 ZINC001230094272 1375942592 /nfs/dbraw/zinc/94/25/92/1375942592.db2.gz QOUMRYFFOZIHPB-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230377923 1376011323 /nfs/dbraw/zinc/01/13/23/1376011323.db2.gz DDGGVKUUZKQJAH-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001327173417 1388421857 /nfs/dbraw/zinc/42/18/57/1388421857.db2.gz QDUJNYXITUFEJO-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC(C)C)CC1 ZINC001230610662 1376101169 /nfs/dbraw/zinc/10/11/69/1376101169.db2.gz GFJCZAMQIDSQTF-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001230617562 1376103375 /nfs/dbraw/zinc/10/33/75/1376103375.db2.gz CQYHWVAWDOKQQF-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230617514 1376103765 /nfs/dbraw/zinc/10/37/65/1376103765.db2.gz BQWSBTNTGUBKRZ-YJJPMGAVSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](CC)CC ZINC001133689650 1376157942 /nfs/dbraw/zinc/15/79/42/1376157942.db2.gz AXBNCKOUVROZTC-WMLDXEAASA-N 2 0 339.911 3.227 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001133823597 1376219986 /nfs/dbraw/zinc/21/99/86/1376219986.db2.gz KIMZPQBBRXPPCM-DLBZAZTESA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232012860 1376381596 /nfs/dbraw/zinc/38/15/96/1376381596.db2.gz VAANSARKLZIVCC-SUMWQHHRSA-N 2 0 342.443 3.004 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)CC[C@H]1F ZINC001232015944 1376383587 /nfs/dbraw/zinc/38/35/87/1376383587.db2.gz OSXVYTFYRVRICW-GDBMZVCRSA-N 2 0 348.422 3.000 20 0 EGADRP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)O1 ZINC001232014466 1376384241 /nfs/dbraw/zinc/38/42/41/1376384241.db2.gz ITJWRNKVPYPZLZ-MISYRCLQSA-N 2 0 343.471 3.357 20 0 EGADRP CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014613 1376385097 /nfs/dbraw/zinc/38/50/97/1376385097.db2.gz SLCCJKPXABDKRM-UHFFFAOYSA-N 2 0 344.459 3.442 20 0 EGADRP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232016808 1376387093 /nfs/dbraw/zinc/38/70/93/1376387093.db2.gz IDDCZDIQXWHIEW-OAHLLOKOSA-N 2 0 337.423 3.352 20 0 EGADRP Oc1cncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001232044222 1376389022 /nfs/dbraw/zinc/38/90/22/1376389022.db2.gz FBYMXFDLUHWKKL-WOJBJXKFSA-N 2 0 337.467 3.131 20 0 EGADRP Oc1cncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001232044217 1376390249 /nfs/dbraw/zinc/39/02/49/1376390249.db2.gz FBYMXFDLUHWKKL-UXHICEINSA-N 2 0 337.467 3.131 20 0 EGADRP CSc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)cn1 ZINC001232351931 1376447009 /nfs/dbraw/zinc/44/70/09/1376447009.db2.gz SHYQINGQGBWSFK-MRXNPFEDSA-N 2 0 329.469 3.469 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369524 1376497687 /nfs/dbraw/zinc/49/76/87/1376497687.db2.gz NNBHCGYPAFJYEH-IRXDYDNUSA-N 2 0 343.531 3.264 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134583754 1376608567 /nfs/dbraw/zinc/60/85/67/1376608567.db2.gz NXSJBYHUEZXWLE-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729471 1376682138 /nfs/dbraw/zinc/68/21/38/1376682138.db2.gz IPFIQHWLMGLLTJ-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134781872 1376716464 /nfs/dbraw/zinc/71/64/64/1376716464.db2.gz BOGYIGKASNVGHK-SJORKVTESA-N 2 0 348.535 3.217 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858485 1376757245 /nfs/dbraw/zinc/75/72/45/1376757245.db2.gz UVFMXJFKGYMIOD-QZTJIDSGSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038178 1376837637 /nfs/dbraw/zinc/83/76/37/1376837637.db2.gz DJJFKZUZEIBDEL-UZLBHIALSA-N 2 0 330.472 3.202 20 0 EGADRP Clc1cnc(-c2ccccc2)cc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235191809 1376858139 /nfs/dbraw/zinc/85/81/39/1376858139.db2.gz ZIWCDYIPUVKTJM-WBVHZDCISA-N 2 0 327.859 3.443 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235338203 1376868647 /nfs/dbraw/zinc/86/86/47/1376868647.db2.gz VQRLBDQTRMLJHN-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2O1 ZINC001235429767 1376869592 /nfs/dbraw/zinc/86/95/92/1376869592.db2.gz ZMDNCCJXXLECTE-ZIAGYGMSSA-N 2 0 338.398 3.220 20 0 EGADRP Clc1cc2[nH]cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235430364 1376871444 /nfs/dbraw/zinc/87/14/44/1376871444.db2.gz WVZRHCZMVOIULU-KBPBESRZSA-N 2 0 332.879 3.428 20 0 EGADRP Clc1cc2[nH]cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235430370 1376871783 /nfs/dbraw/zinc/87/17/83/1376871783.db2.gz WVZRHCZMVOIULU-ZIAGYGMSSA-N 2 0 332.879 3.428 20 0 EGADRP Clc1ccc2c(c1)n[nH]c2C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431226 1376872259 /nfs/dbraw/zinc/87/22/59/1376872259.db2.gz YZWKEQAMFDYYSJ-KBPBESRZSA-N 2 0 332.879 3.428 20 0 EGADRP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC001235633633 1376881588 /nfs/dbraw/zinc/88/15/88/1376881588.db2.gz SCPGWHVSLCIBOM-UHFFFAOYSA-N 2 0 336.483 3.081 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081714 1376885608 /nfs/dbraw/zinc/88/56/08/1376885608.db2.gz QWVIRHBPEIQFFW-DLBZAZTESA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CC1CCC1 ZINC001135101751 1376899580 /nfs/dbraw/zinc/89/95/80/1376899580.db2.gz QTXXOXZNVOYPBC-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235847661 1376901041 /nfs/dbraw/zinc/90/10/41/1376901041.db2.gz LFQNTYQEZDVFHF-LJQANCHMSA-N 2 0 329.532 3.101 20 0 EGADRP [NH3+]CCN(CC[NH3+])Cc1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC001235880916 1376908276 /nfs/dbraw/zinc/90/82/76/1376908276.db2.gz RERCOWOKLRPABG-UHFFFAOYSA-N 2 0 343.418 3.153 20 0 EGADRP Oc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C(F)(F)F)c1 ZINC001235887110 1376910794 /nfs/dbraw/zinc/91/07/94/1376910794.db2.gz CSCHUKMNYKIIOK-MRXNPFEDSA-N 2 0 328.378 3.375 20 0 EGADRP [NH3+]CCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC001235887009 1376911299 /nfs/dbraw/zinc/91/12/99/1376911299.db2.gz FYYOXSMSFGAMNO-ZDUSSCGKSA-N 2 0 330.303 3.144 20 0 EGADRP CC(C)Oc1ccc(Br)cc1C[N@H+](C)CCCC[NH3+] ZINC001236141446 1376936578 /nfs/dbraw/zinc/93/65/78/1376936578.db2.gz GNESFAJHHHDKIG-UHFFFAOYSA-N 2 0 329.282 3.407 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181050 1376952880 /nfs/dbraw/zinc/95/28/80/1376952880.db2.gz LMYUCUYZCUFQDJ-JKSUJKDBSA-N 2 0 349.494 3.073 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180389 1376953475 /nfs/dbraw/zinc/95/34/75/1376953475.db2.gz GOBVVROPAQTHFT-IRXDYDNUSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(-c2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)cc1 ZINC001236447022 1376953783 /nfs/dbraw/zinc/95/37/83/1376953783.db2.gz HRDAWQQRQHECOG-SFHVURJKSA-N 2 0 349.482 3.219 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180168 1376953873 /nfs/dbraw/zinc/95/38/73/1376953873.db2.gz DXAAQLRRGRIUAY-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP COc1ccccc1C[N@H+](CC(C)(C)C[NH+](C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702184 1376962485 /nfs/dbraw/zinc/96/24/85/1376962485.db2.gz ZFKMRJBRVVBYBA-WGSAOQKQSA-N 3 0 347.547 3.355 20 0 EGADRP CC(C)(C)[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381955 1377051638 /nfs/dbraw/zinc/05/16/38/1377051638.db2.gz VKKIICDUKHEOQF-HKUYNNGSSA-N 2 0 347.522 3.247 20 0 EGADRP COc1ccc(C2(N[C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC[NH2+]CC2)cc1 ZINC001246380363 1377051731 /nfs/dbraw/zinc/05/17/31/1377051731.db2.gz KPJVIIBBNHRJCS-PKOBYXMFSA-N 2 0 345.531 3.030 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC[NH2+]1 ZINC001246724925 1377053462 /nfs/dbraw/zinc/05/34/62/1377053462.db2.gz ZWGLDFMVYMYZAW-ZFMNYDKASA-N 2 0 343.515 3.339 20 0 EGADRP Cc1ccc(C[N@@H+]2CCCC3(CCN([C@H]4CCC[NH2+]C4)CC3)C2)cc1 ZINC001246748577 1377053887 /nfs/dbraw/zinc/05/38/87/1377053887.db2.gz YZLTYRDEAOLTSB-NRFANRHFSA-N 2 0 341.543 3.425 20 0 EGADRP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246822410 1377055295 /nfs/dbraw/zinc/05/52/95/1377055295.db2.gz APFHJIDQTYHNNR-PCCRXHMLSA-N 2 0 334.504 3.102 20 0 EGADRP Fc1cccc(CN(C2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246938136 1377055960 /nfs/dbraw/zinc/05/59/60/1377055960.db2.gz RFBQVTYZWIWTST-OAQYLSRUSA-N 2 0 345.506 3.254 20 0 EGADRP Fc1cccc(CN([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)c1 ZINC001246937505 1377056401 /nfs/dbraw/zinc/05/64/01/1377056401.db2.gz PJPHGQFWFHNAJL-UXHICEINSA-N 2 0 345.506 3.302 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001327276859 1388478573 /nfs/dbraw/zinc/47/85/73/1388478573.db2.gz HCBSSZKRAGFNDX-QAPCUYQASA-N 2 0 337.483 3.007 20 0 EGADRP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[NH+](C)CC2)c1 ZINC001254511480 1377105381 /nfs/dbraw/zinc/10/53/81/1377105381.db2.gz ATXRITDXUUKSNP-UFYCRDLUSA-N 3 0 345.531 3.251 20 0 EGADRP Cc1ccc(CN2CCC([NH2+][C@H]3CCC[N@@H+](C)CC3)CC2)c(F)c1 ZINC001254509835 1377105649 /nfs/dbraw/zinc/10/56/49/1377105649.db2.gz JHOARUZIUZLRKP-SFHVURJKSA-N 2 0 333.495 3.172 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001254511103 1377105665 /nfs/dbraw/zinc/10/56/65/1377105665.db2.gz VNBBWHQRFCOXFM-QGZVFWFLSA-N 2 0 335.923 3.160 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC001254511336 1377105782 /nfs/dbraw/zinc/10/57/82/1377105782.db2.gz YZCJICQMUVJPBQ-INIZCTEOSA-N 2 0 336.907 3.462 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4ccccc4c3)CC2)CC1 ZINC001254529204 1377106550 /nfs/dbraw/zinc/10/65/50/1377106550.db2.gz KYWVXUQGTWKRMF-JOCHJYFZSA-N 2 0 337.511 3.442 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468705 1377108215 /nfs/dbraw/zinc/10/82/15/1377108215.db2.gz SFJNNLHMTRMSFV-MHEJJFAZSA-N 2 0 337.552 3.338 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135480333 1377112418 /nfs/dbraw/zinc/11/24/18/1377112418.db2.gz ASZOQDGABKNEPR-SJORKVTESA-N 2 0 327.557 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC001135511405 1377123030 /nfs/dbraw/zinc/12/30/30/1377123030.db2.gz QTENCMLWHOYEKN-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614745 1377162853 /nfs/dbraw/zinc/16/28/53/1377162853.db2.gz ZNVNDIOMTBAQRJ-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614756 1377162877 /nfs/dbraw/zinc/16/28/77/1377162877.db2.gz ZTJYIAKTTKZFMK-JKSUJKDBSA-N 2 0 337.552 3.027 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C(C)C ZINC001135690325 1377184408 /nfs/dbraw/zinc/18/44/08/1377184408.db2.gz GMLHDZGYNHNZLP-ROUUACIJSA-N 2 0 325.541 3.338 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266114418 1377192085 /nfs/dbraw/zinc/19/20/85/1377192085.db2.gz ZUYVTVCVJWJEME-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001135718938 1377193351 /nfs/dbraw/zinc/19/33/51/1377193351.db2.gz VXPRBLFEYSIYKK-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CCCCCc1ccc(C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])cc1 ZINC001189205870 1388484629 /nfs/dbraw/zinc/48/46/29/1388484629.db2.gz VFAYBEDRRBNVIQ-UHFFFAOYSA-N 2 0 332.492 3.097 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135746983 1377200686 /nfs/dbraw/zinc/20/06/86/1377200686.db2.gz MDJDYFWORUFXQV-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135748091 1377201266 /nfs/dbraw/zinc/20/12/66/1377201266.db2.gz YSWCSZNHAZIIDB-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001266144591 1377206869 /nfs/dbraw/zinc/20/68/69/1377206869.db2.gz WBFNCSMOTPOCAU-QZTJIDSGSA-N 2 0 345.531 3.497 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001266158826 1377210740 /nfs/dbraw/zinc/21/07/40/1377210740.db2.gz XEVXCACBJUUJFJ-PKOBYXMFSA-N 2 0 343.515 3.251 20 0 EGADRP CCc1ccc(CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001135861664 1377238664 /nfs/dbraw/zinc/23/86/64/1377238664.db2.gz VFRUPGFEKATBFU-ROUUACIJSA-N 2 0 347.547 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135861515 1377238775 /nfs/dbraw/zinc/23/87/75/1377238775.db2.gz RXZOHXPOOKNEQN-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135861710 1377238814 /nfs/dbraw/zinc/23/88/14/1377238814.db2.gz VYOTUZBCHYUCNX-DLBZAZTESA-N 2 0 345.531 3.279 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901173 1377255378 /nfs/dbraw/zinc/25/53/78/1377255378.db2.gz FHAUUONEYJBRNN-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944643 1377272903 /nfs/dbraw/zinc/27/29/03/1377272903.db2.gz NQQJAZHUVJXLQL-HOTGVXAUSA-N 2 0 348.535 3.460 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001135973719 1377282312 /nfs/dbraw/zinc/28/23/12/1377282312.db2.gz COGPEVPIQLDBGS-MSOLQXFVSA-N 2 0 333.520 3.100 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)CCCC[NH+](C)C ZINC001135974224 1377283080 /nfs/dbraw/zinc/28/30/80/1377283080.db2.gz KVLMTTNVRHBHKO-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135979632 1377285219 /nfs/dbraw/zinc/28/52/19/1377285219.db2.gz HYMSBYCJDKRUQY-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135980493 1377286246 /nfs/dbraw/zinc/28/62/46/1377286246.db2.gz PCAVEQJFNWGPFG-DLBZAZTESA-N 2 0 339.568 3.418 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001266987432 1377408121 /nfs/dbraw/zinc/40/81/21/1377408121.db2.gz PTEBCHDZADREKL-AWEZNQCLSA-N 2 0 347.547 3.165 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001267090236 1377411638 /nfs/dbraw/zinc/41/16/38/1377411638.db2.gz HZCSTEZSCFPDKV-UXHICEINSA-N 2 0 345.531 3.244 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)CC(C)C ZINC001136648833 1377413463 /nfs/dbraw/zinc/41/34/63/1377413463.db2.gz AAZRWPLDICZAIA-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001267393364 1377444196 /nfs/dbraw/zinc/44/41/96/1377444196.db2.gz DHOXNUHZBYSYKS-ICSRJNTNSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1ccccc1C ZINC001267807592 1377470766 /nfs/dbraw/zinc/47/07/66/1377470766.db2.gz YZJWGUDOESJLJO-SJORKVTESA-N 2 0 331.504 3.025 20 0 EGADRP Fc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001137740144 1377608015 /nfs/dbraw/zinc/60/80/15/1377608015.db2.gz VMTIHCPYUYBRHG-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137772976 1377614345 /nfs/dbraw/zinc/61/43/45/1377614345.db2.gz QDFPDXNFSXNLLI-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP CC(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001271758829 1377649472 /nfs/dbraw/zinc/64/94/72/1377649472.db2.gz HSVIVJKADNNNMN-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1 ZINC001138770260 1377782310 /nfs/dbraw/zinc/78/23/10/1377782310.db2.gz WBUDIONFKUOFSB-GDBMZVCRSA-N 2 0 348.384 3.207 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccnn3[C@H]3CCCCO3)CC2)CC1 ZINC001138778223 1377782927 /nfs/dbraw/zinc/78/29/27/1377782927.db2.gz BAVKRLLZVUTTQS-HXUWFJFHSA-N 2 0 346.519 3.136 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC001139074453 1377824781 /nfs/dbraw/zinc/82/47/81/1377824781.db2.gz KLFJARTWGJFVAM-UHFFFAOYSA-N 2 0 336.863 3.377 20 0 EGADRP CCOc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001139594030 1377914184 /nfs/dbraw/zinc/91/41/84/1377914184.db2.gz ZTLRELWBNLXTEN-UHFFFAOYSA-N 2 0 331.847 3.456 20 0 EGADRP Cn1ncc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc21 ZINC001139951609 1377981640 /nfs/dbraw/zinc/98/16/40/1377981640.db2.gz JMBZMZJKLZXTGY-LJQANCHMSA-N 2 0 326.488 3.414 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C2)CC1 ZINC001140097277 1378007103 /nfs/dbraw/zinc/00/71/03/1378007103.db2.gz PRGDCTHSTBCQOK-UHFFFAOYSA-N 2 0 331.460 3.477 20 0 EGADRP Cc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(C)cc1O ZINC001140197024 1378030134 /nfs/dbraw/zinc/03/01/34/1378030134.db2.gz DMBVTNXEQQJICT-UHFFFAOYSA-N 2 0 346.515 3.333 20 0 EGADRP Cc1cc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001140573832 1378087689 /nfs/dbraw/zinc/08/76/89/1378087689.db2.gz UJGLWVWZWDBEIW-CALCHBBNSA-N 2 0 328.481 3.326 20 0 EGADRP CCOC(=O)c1ccc(CN(C)C2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC001140695056 1378116407 /nfs/dbraw/zinc/11/64/07/1378116407.db2.gz RBPUVZDDTGWAKP-UHFFFAOYSA-N 2 0 347.503 3.420 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140705310 1378119336 /nfs/dbraw/zinc/11/93/36/1378119336.db2.gz HTHRUHXVZYHDOT-HXUWFJFHSA-N 2 0 339.483 3.270 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC001276314941 1378171022 /nfs/dbraw/zinc/17/10/22/1378171022.db2.gz UNVAQBYCZSVUIP-UHFFFAOYSA-N 2 0 343.540 3.361 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c1 ZINC001276576901 1378180364 /nfs/dbraw/zinc/18/03/64/1378180364.db2.gz PTBGYKVIVYAJFT-OYRHEFFESA-N 2 0 345.506 3.479 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCC1)C1CCCCCC1 ZINC001277368079 1378219200 /nfs/dbraw/zinc/21/92/00/1378219200.db2.gz BUYWIMYZCCTAHE-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001277382144 1378221420 /nfs/dbraw/zinc/22/14/20/1378221420.db2.gz HOCIMXIETAGOME-LJQANCHMSA-N 2 0 337.552 3.412 20 0 EGADRP CCn1ccnc1C[N@@H+]1CCCC2(CC[NH+](CCCCF)CC2)C1 ZINC001278205237 1378261955 /nfs/dbraw/zinc/26/19/55/1378261955.db2.gz FAFIWBBRBODUBA-UHFFFAOYSA-N 2 0 336.499 3.331 20 0 EGADRP c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5c[nH]nc54)C[C@H]3CC2)c1 ZINC001279450087 1378308296 /nfs/dbraw/zinc/30/82/96/1378308296.db2.gz WVBIIXFPJBIRKB-HDICACEKSA-N 2 0 349.482 3.235 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](Cc2cccc(-c3ccsc3)c2)CC1 ZINC001141384656 1378315319 /nfs/dbraw/zinc/31/53/19/1378315319.db2.gz SPAHUWXKKCAFQQ-UHFFFAOYSA-N 2 0 343.540 3.484 20 0 EGADRP C[C@@H]1CCC[C@](CNC(=O)CC[N@H+](C)C2CCCCC2)([NH+](C)C)C1 ZINC001142065131 1378409915 /nfs/dbraw/zinc/40/99/15/1378409915.db2.gz LJPWVMICILBOJT-XLIONFOSSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC001142395068 1378439060 /nfs/dbraw/zinc/43/90/60/1378439060.db2.gz NTTGRMRCFJUCHA-OCCSQVGLSA-N 2 0 348.288 3.314 20 0 EGADRP c1csc(C[N@@H+]2C[C@H]3CN(Cc4ccc5cc[nH]c5n4)C[C@H]3C2)c1 ZINC001144171487 1378692267 /nfs/dbraw/zinc/69/22/67/1378692267.db2.gz BTFGFWNSGHPGPD-IYBDPMFKSA-N 2 0 338.480 3.188 20 0 EGADRP Cc1cc(CN2CCC3(C[NH+](C)C3)CC2)c(F)cc1Br ZINC001144590939 1378749484 /nfs/dbraw/zinc/74/94/84/1378749484.db2.gz NMCDLYZFXBQKEI-UHFFFAOYSA-N 2 0 341.268 3.424 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717569 1378763424 /nfs/dbraw/zinc/76/34/24/1378763424.db2.gz YAJPRPSQFBWQFU-UHFFFAOYSA-N 2 0 342.531 3.408 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)c(F)cc1Cl ZINC001144725940 1378764882 /nfs/dbraw/zinc/76/48/82/1378764882.db2.gz BFGMGIYVLOLYJR-UHFFFAOYSA-N 2 0 347.881 3.324 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001146399978 1378834939 /nfs/dbraw/zinc/83/49/39/1378834939.db2.gz ZGEZWNQNKQJTSD-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)C[NH+]1CCCC1 ZINC001146399402 1378835134 /nfs/dbraw/zinc/83/51/34/1378835134.db2.gz WPQACBYZIYIPHQ-IAGOWNOFSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CCC[NH+]1CCCC1 ZINC001146532537 1378861603 /nfs/dbraw/zinc/86/16/03/1378861603.db2.gz BJVNDAXXZFXOIS-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccccc1F ZINC001146536891 1378863520 /nfs/dbraw/zinc/86/35/20/1378863520.db2.gz WGOYCRUPNRQPOP-SJORKVTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146537208 1378863621 /nfs/dbraw/zinc/86/36/21/1378863621.db2.gz XGDVHMSKPIJENN-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146593846 1378873824 /nfs/dbraw/zinc/87/38/24/1378873824.db2.gz QQISHEBFJLBJSA-MSOLQXFVSA-N 2 0 347.547 3.352 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001146591915 1378873965 /nfs/dbraw/zinc/87/39/65/1378873965.db2.gz IHCMMXDHUBGHBT-MOPGFXCFSA-N 2 0 347.547 3.222 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146612509 1378877589 /nfs/dbraw/zinc/87/75/89/1378877589.db2.gz PZXINHBKQVZNCX-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001146612602 1378878064 /nfs/dbraw/zinc/87/80/64/1378878064.db2.gz QOIPTKYNZHSRJR-DLBZAZTESA-N 2 0 349.494 3.075 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CCC2)o1 ZINC001146699430 1378899748 /nfs/dbraw/zinc/89/97/48/1378899748.db2.gz CMBXBAIBYFYZRA-HZPDHXFCSA-N 2 0 349.519 3.408 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146716299 1378907298 /nfs/dbraw/zinc/90/72/98/1378907298.db2.gz YUKDLWXRLBQXIC-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147742649 1379070098 /nfs/dbraw/zinc/07/00/98/1379070098.db2.gz MUCYLDUZZDHSLF-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315129 1379149606 /nfs/dbraw/zinc/14/96/06/1379149606.db2.gz CJWPWKDKLIMFBI-HJWRWDBZSA-N 2 0 349.563 3.245 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605728 1379224192 /nfs/dbraw/zinc/22/41/92/1379224192.db2.gz SRQXVHXBMHFKBH-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CCCC1CCCC1 ZINC001284131397 1379513538 /nfs/dbraw/zinc/51/35/38/1379513538.db2.gz KZVQRHVLYMDAGB-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001151361996 1379706150 /nfs/dbraw/zinc/70/61/50/1379706150.db2.gz RWQPDVIKBGILOT-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001151903760 1379813671 /nfs/dbraw/zinc/81/36/71/1379813671.db2.gz TVLHKSMLIQRHPS-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001152148794 1379872755 /nfs/dbraw/zinc/87/27/55/1379872755.db2.gz RIMHWNGONIXMCE-IRXDYDNUSA-N 2 0 345.531 3.063 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001152246510 1379893039 /nfs/dbraw/zinc/89/30/39/1379893039.db2.gz ZVDDSCVGWIGTIA-FQEVSTJZSA-N 2 0 339.483 3.219 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)c1 ZINC001152245910 1379893365 /nfs/dbraw/zinc/89/33/65/1379893365.db2.gz OPDYCEQALPTMRH-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP CC(C)(C)c1ccc(C[NH2+]CCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001152340521 1379914344 /nfs/dbraw/zinc/91/43/44/1379914344.db2.gz QCWSKXDXGNLTTC-UHFFFAOYSA-N 2 0 345.531 3.066 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001152470483 1379939803 /nfs/dbraw/zinc/93/98/03/1379939803.db2.gz BVTSCYOXTBDSDG-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152479378 1379940463 /nfs/dbraw/zinc/94/04/63/1379940463.db2.gz GHXKNHNLMYKXDO-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152479271 1379940496 /nfs/dbraw/zinc/94/04/96/1379940496.db2.gz DDXPYSSYCCIYFK-UYAOXDASSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCCC1 ZINC001152479730 1379940720 /nfs/dbraw/zinc/94/07/20/1379940720.db2.gz JQCZKFWFFLQOKN-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CCC2CCCC2)o1 ZINC001153266722 1380046737 /nfs/dbraw/zinc/04/67/37/1380046737.db2.gz KWOPDJIGMQFJAF-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361938 1380063726 /nfs/dbraw/zinc/06/37/26/1380063726.db2.gz IGDPIMXQSRLCEY-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001153448475 1380079114 /nfs/dbraw/zinc/07/91/14/1380079114.db2.gz YHWCXSZTQZWWLS-LJQANCHMSA-N 2 0 345.531 3.134 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC1CCC1 ZINC001153720732 1380119033 /nfs/dbraw/zinc/11/90/33/1380119033.db2.gz NUOXUYFLPKQGCY-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)c1 ZINC001154070253 1380198285 /nfs/dbraw/zinc/19/82/85/1380198285.db2.gz VXRYEIXHNHPAHK-CQSZACIVSA-N 2 0 339.549 3.113 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069421 1380198627 /nfs/dbraw/zinc/19/86/27/1380198627.db2.gz DDJYBTRGRKESNN-MUSGIIIZSA-N 2 0 325.541 3.290 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC)c1 ZINC001154070197 1380198772 /nfs/dbraw/zinc/19/87/72/1380198772.db2.gz SNUFQUIGUNPYDE-QGZVFWFLSA-N 2 0 347.547 3.306 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123294 1380212953 /nfs/dbraw/zinc/21/29/53/1380212953.db2.gz TVIKONFZBBOBOP-MOPGFXCFSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178006 1380221874 /nfs/dbraw/zinc/22/18/74/1380221874.db2.gz AZKOQWDTKLWBGK-MRXNPFEDSA-N 2 0 340.471 3.275 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH+](C)C ZINC001154467039 1380283089 /nfs/dbraw/zinc/28/30/89/1380283089.db2.gz ZVGISKFINSJHFL-NSHGMRRFSA-N 2 0 345.531 3.367 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481334 1380285720 /nfs/dbraw/zinc/28/57/20/1380285720.db2.gz NNXTWLPSDYOJNX-GOSISDBHSA-N 2 0 347.547 3.421 20 0 EGADRP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001154785032 1380350638 /nfs/dbraw/zinc/35/06/38/1380350638.db2.gz WRWJRYRRIJCYRM-JCMVTEASSA-N 2 0 337.552 3.291 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888839 1380373481 /nfs/dbraw/zinc/37/34/81/1380373481.db2.gz WAJRETVVCXSJKU-MRXNPFEDSA-N 2 0 337.508 3.362 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611535 1380473314 /nfs/dbraw/zinc/47/33/14/1380473314.db2.gz IDUIHKPMCBPRPE-YZBXUTEPSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621952 1380475472 /nfs/dbraw/zinc/47/54/72/1380475472.db2.gz UVLWEQNKLGMEJU-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631286 1380476699 /nfs/dbraw/zinc/47/66/99/1380476699.db2.gz LHEXNGOMWUPMKM-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCC(C)C ZINC001155878110 1380501760 /nfs/dbraw/zinc/50/17/60/1380501760.db2.gz TUGIEYOIWQCHOU-GOSISDBHSA-N 2 0 327.557 3.371 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299608 1380553993 /nfs/dbraw/zinc/55/39/93/1380553993.db2.gz WOFIVSPOWHNCJH-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428386 1380574750 /nfs/dbraw/zinc/57/47/50/1380574750.db2.gz MVRSARAOQIQJAX-IAGOWNOFSA-N 2 0 348.535 3.270 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1c(C)cccc1C ZINC001156510105 1380586269 /nfs/dbraw/zinc/58/62/69/1380586269.db2.gz HRLSFHJBPZJCJW-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP CN(C)c1cc[nH+]c(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001157066511 1380766416 /nfs/dbraw/zinc/76/64/16/1380766416.db2.gz JDYQAHNCPQGNJU-UHFFFAOYSA-N 2 0 342.462 3.388 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001157893213 1381063335 /nfs/dbraw/zinc/06/33/35/1381063335.db2.gz BDQHSBBRPBBYGB-AZUAARDMSA-N 2 0 345.531 3.333 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158059443 1381115805 /nfs/dbraw/zinc/11/58/05/1381115805.db2.gz BAZXEEPVZBDPRO-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1)C1CCC1 ZINC001158090100 1381124923 /nfs/dbraw/zinc/12/49/23/1381124923.db2.gz ILZDWFQMOWSBTD-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185245 1381150908 /nfs/dbraw/zinc/15/09/08/1381150908.db2.gz FIOGFFUHQFTPPQ-FUHWJXTLSA-N 2 0 342.487 3.307 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186530 1381151820 /nfs/dbraw/zinc/15/18/20/1381151820.db2.gz UWIHDSTXIPAXNB-GOSISDBHSA-N 2 0 342.487 3.451 20 0 EGADRP Cc1nc(N2CCCC2)cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001158265179 1381177477 /nfs/dbraw/zinc/17/74/77/1381177477.db2.gz FSXQSQTUTFHNFK-DNVCBOLYSA-N 2 0 331.508 3.341 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385460 1381227099 /nfs/dbraw/zinc/22/70/99/1381227099.db2.gz JDKIFYOHUDGETC-YDZRNGNQSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCC(C)(C)C)C1 ZINC001158474416 1381258322 /nfs/dbraw/zinc/25/83/22/1381258322.db2.gz YVAXLUZCBFUOPB-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158559207 1381298629 /nfs/dbraw/zinc/29/86/29/1381298629.db2.gz CRQZRYFOGQTBAP-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+]1CCC(N(c2ncc(Cl)cc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158575775 1381306835 /nfs/dbraw/zinc/30/68/35/1381306835.db2.gz VHXBVFFKJZGNEE-UHFFFAOYSA-N 2 0 343.302 3.041 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001328281958 1388713171 /nfs/dbraw/zinc/71/31/71/1388713171.db2.gz FEIPJQKKVDEHIL-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768293 1381391602 /nfs/dbraw/zinc/39/16/02/1381391602.db2.gz RJJBOWVTLLDXJT-LJQANCHMSA-N 2 0 339.568 3.467 20 0 EGADRP C[N@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866134 1381441322 /nfs/dbraw/zinc/44/13/22/1381441322.db2.gz LBPBNQXUUJVAPF-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1nc2c(Nc3ccc(CN4CC[NH2+]CC4)cc3)cccn2c1C ZINC001159397045 1381785201 /nfs/dbraw/zinc/78/52/01/1381785201.db2.gz PJDGSBIJAZLPCP-UHFFFAOYSA-N 2 0 335.455 3.100 20 0 EGADRP Cc1nc2c(Nc3cccc(CN4CC[NH2+]CC4)c3)cccn2c1C ZINC001159395717 1381785434 /nfs/dbraw/zinc/78/54/34/1381785434.db2.gz HJRRROBURKWTNN-UHFFFAOYSA-N 2 0 335.455 3.100 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001159435833 1381793131 /nfs/dbraw/zinc/79/31/31/1381793131.db2.gz MZUNBLGIUHFSNG-UHFFFAOYSA-N 2 0 325.456 3.406 20 0 EGADRP c1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)ccc1CN1CC[NH2+]CC1 ZINC001159567978 1381831946 /nfs/dbraw/zinc/83/19/46/1381831946.db2.gz WSZOWKBAGJFMAX-OAQYLSRUSA-N 2 0 340.515 3.036 20 0 EGADRP Cc1cc(C)[nH+]c(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c1 ZINC001159625897 1381851535 /nfs/dbraw/zinc/85/15/35/1381851535.db2.gz DRWUIFSRMSWYSP-MXVIHJGJSA-N 2 0 342.531 3.449 20 0 EGADRP C[NH+]1CCN(c2cccc(Nc3ccc([C@@H]4CC[NH2+]C4)cc3)c2)CC1 ZINC001159777889 1381896894 /nfs/dbraw/zinc/89/68/94/1381896894.db2.gz NMYOGZJYYMSCMU-GOSISDBHSA-N 2 0 336.483 3.259 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839323 1381917018 /nfs/dbraw/zinc/91/70/18/1381917018.db2.gz YEOYHYLCYSTCRE-RTBURBONSA-N 2 0 345.531 3.130 20 0 EGADRP Clc1cc(Nc2cccc3c2CC[NH2+]C3)ccc1N1CC[NH2+]CC1 ZINC001159858278 1381920960 /nfs/dbraw/zinc/92/09/60/1381920960.db2.gz CUKZYOOXECEZNI-UHFFFAOYSA-N 2 0 342.874 3.139 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159911474 1381935544 /nfs/dbraw/zinc/93/55/44/1381935544.db2.gz YXDYOBPUMXASJC-OALUTQOASA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001159979254 1381956796 /nfs/dbraw/zinc/95/67/96/1381956796.db2.gz HOHIRHJZDYZFIT-PMACEKPBSA-N 2 0 345.531 3.306 20 0 EGADRP [NH3+]C1CCN(c2c(F)cccc2Nc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001160105666 1381998104 /nfs/dbraw/zinc/99/81/04/1381998104.db2.gz SMXBOHXFNLQONI-UHFFFAOYSA-N 2 0 340.446 3.143 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2cccc(F)c2N2CC[NH2+]CC2)cc1 ZINC001160115713 1382001506 /nfs/dbraw/zinc/00/15/06/1382001506.db2.gz HMKUQIOSWZGKSW-UHFFFAOYSA-N 2 0 328.435 3.173 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131722 1382008472 /nfs/dbraw/zinc/00/84/72/1382008472.db2.gz TYZWDTRWPWTIAQ-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP [NH3+]CCOc1cccc(Nc2c(F)cccc2OC2CC[NH2+]CC2)c1 ZINC001160152784 1382018436 /nfs/dbraw/zinc/01/84/36/1382018436.db2.gz UUSBKGNMIRLQLW-UHFFFAOYSA-N 2 0 345.418 3.038 20 0 EGADRP Fc1cccc(Nc2ccc3c(c2)C[NH2+]C3)c1OC1CC[NH2+]CC1 ZINC001160174150 1382025181 /nfs/dbraw/zinc/02/51/81/1382025181.db2.gz SHPOEMBJUFYZBO-UHFFFAOYSA-N 2 0 327.403 3.303 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001160273035 1382058616 /nfs/dbraw/zinc/05/86/16/1382058616.db2.gz GLFLWUOSGUNEPX-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001160274722 1382058640 /nfs/dbraw/zinc/05/86/40/1382058640.db2.gz WCDDLNGRPMWDOD-HXUWFJFHSA-N 2 0 345.531 3.109 20 0 EGADRP CC1(C)C[NH2+]Cc2cc(NC3=CC[C@H]([NH+]4CCOCC4)CC3)ccc21 ZINC001160284847 1382060649 /nfs/dbraw/zinc/06/06/49/1382060649.db2.gz IEHUSUQFQBPCFV-IBGZPJMESA-N 2 0 341.499 3.248 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360359 1382082909 /nfs/dbraw/zinc/08/29/09/1382082909.db2.gz POURCTZPFKHAMO-VOTSOKGWSA-N 2 0 347.547 3.356 20 0 EGADRP COc1ccc2c(Nc3cccc4c3[C@H]3C[NH2+]C[C@@H]3O4)cc[nH+]c2c1 ZINC001160397414 1382093558 /nfs/dbraw/zinc/09/35/58/1382093558.db2.gz YFWYYWOIXRQZLA-LIRRHRJNSA-N 2 0 333.391 3.435 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001160472925 1382115865 /nfs/dbraw/zinc/11/58/65/1382115865.db2.gz DIUVZLGAWUJLTA-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567805 1382144126 /nfs/dbraw/zinc/14/41/26/1382144126.db2.gz LKLQXCRAOHKBNY-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160567616 1382144911 /nfs/dbraw/zinc/14/49/11/1382144911.db2.gz HCIWDBQLCZIQOM-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](C[NH3+])CN(Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cn1 ZINC001160666340 1382165458 /nfs/dbraw/zinc/16/54/58/1382165458.db2.gz VJJXXVSZQICDGX-GOSISDBHSA-N 2 0 338.499 3.279 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001160826958 1382210101 /nfs/dbraw/zinc/21/01/01/1382210101.db2.gz RTFHZJLSKDFNNL-LJQANCHMSA-N 2 0 343.515 3.110 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001160889280 1382225990 /nfs/dbraw/zinc/22/59/90/1382225990.db2.gz GVXYTUFZPXLUFY-QFBILLFUSA-N 2 0 347.547 3.481 20 0 EGADRP C[C@H](c1cccc2ccccc21)N(C)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001161045833 1382283055 /nfs/dbraw/zinc/28/30/55/1382283055.db2.gz DMDADVUSYAPKME-WBVHZDCISA-N 2 0 327.472 3.206 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133764 1382313994 /nfs/dbraw/zinc/31/39/94/1382313994.db2.gz PMHWJJBTAFURPG-QULHZPMSSA-N 2 0 335.536 3.067 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001161213086 1382343992 /nfs/dbraw/zinc/34/39/92/1382343992.db2.gz GAPPJICMBZUUNM-LYBXBRPPSA-N 2 0 349.563 3.291 20 0 EGADRP CC1CC(C[N@H+]2CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001161219485 1382345800 /nfs/dbraw/zinc/34/58/00/1382345800.db2.gz HLMZNNCISVYNEG-UHFFFAOYSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161219955 1382346439 /nfs/dbraw/zinc/34/64/39/1382346439.db2.gz RWLOEUCPOOBLPN-UEKDZROGSA-N 2 0 347.547 3.213 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391655 1382397289 /nfs/dbraw/zinc/39/72/89/1382397289.db2.gz UOLNJSHGOHGZFB-HXUWFJFHSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC001161412969 1382402891 /nfs/dbraw/zinc/40/28/91/1382402891.db2.gz NCDFHZRPEBYOAQ-NMLBUPMWSA-N 2 0 343.515 3.045 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001161643910 1382468395 /nfs/dbraw/zinc/46/83/95/1382468395.db2.gz DPCANDXNKRMDHY-PMACEKPBSA-N 2 0 345.531 3.354 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161645704 1382469623 /nfs/dbraw/zinc/46/96/23/1382469623.db2.gz OXLUVKRKACDOMW-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC)CC1 ZINC001161679290 1382478549 /nfs/dbraw/zinc/47/85/49/1382478549.db2.gz XYAWTBXPHGUOLS-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)C1 ZINC001161704659 1382485360 /nfs/dbraw/zinc/48/53/60/1382485360.db2.gz DMDRNWJNNJVWLM-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893281 1382542448 /nfs/dbraw/zinc/54/24/48/1382542448.db2.gz AVABOIPYGGJGOF-LJQANCHMSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328651165 1388797419 /nfs/dbraw/zinc/79/74/19/1388797419.db2.gz QVISJEBDTMYVPE-AEFFLSMTSA-N 2 0 348.535 3.385 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1c(Cl)ccc2c(Cl)ncnc21 ZINC001162294636 1382724113 /nfs/dbraw/zinc/72/41/13/1382724113.db2.gz PSSVEAVLNARPFK-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP C[N@@H+]1CC[C@@H](c2ccc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)cc2)C1 ZINC001162967283 1382930757 /nfs/dbraw/zinc/93/07/57/1382930757.db2.gz OBYZTMZUGQFCGH-UYAOXDASSA-N 2 0 343.515 3.066 20 0 EGADRP COc1cc2cc[nH+]c(NC3CC4(C3)CCC[NH2+]C4)c2cc1OC ZINC001162981860 1382936471 /nfs/dbraw/zinc/93/64/71/1382936471.db2.gz HNHFQFAOYUVROT-UHFFFAOYSA-N 2 0 327.428 3.196 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)cc2cccc(F)c21 ZINC001163130105 1382972526 /nfs/dbraw/zinc/97/25/26/1382972526.db2.gz VGVPEFQLNHQTHE-UHFFFAOYSA-N 2 0 337.830 3.305 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001163290155 1383013199 /nfs/dbraw/zinc/01/31/99/1383013199.db2.gz CCEOTGIUFCLSFT-KRWDZBQOSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CCCC2CCCC2)CCCC1 ZINC001163290479 1383013269 /nfs/dbraw/zinc/01/32/69/1383013269.db2.gz IYTOKGBRYLXFKR-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001163328038 1383023347 /nfs/dbraw/zinc/02/33/47/1383023347.db2.gz NZPJQGDUMMMYLD-XLIONFOSSA-N 2 0 327.472 3.011 20 0 EGADRP Cc1c(C)n(-c2cc([C@H]3CCC[NH2+]C3)nc(C)n2)c2ccc(C[NH3+])cc12 ZINC001163756546 1383118541 /nfs/dbraw/zinc/11/85/41/1383118541.db2.gz GVLKMSVNAZGEGX-KRWDZBQOSA-N 2 0 349.482 3.271 20 0 EGADRP Nc1[nH]c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)cc2[nH+]1 ZINC001164491176 1383192848 /nfs/dbraw/zinc/19/28/48/1383192848.db2.gz CMHGNIKVTAAQDF-KBAYOESNSA-N 2 0 347.466 3.468 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001164514700 1383195228 /nfs/dbraw/zinc/19/52/28/1383195228.db2.gz ROJWWOODTYMUTB-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531223 1383196621 /nfs/dbraw/zinc/19/66/21/1383196621.db2.gz BOIWHYBZBQNSCH-RBUKOAKNSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531581 1383196933 /nfs/dbraw/zinc/19/69/33/1383196933.db2.gz NUQWGVCTEPEDKX-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001164583411 1383202193 /nfs/dbraw/zinc/20/21/93/1383202193.db2.gz ZALQITNLWWHZFM-IEBWSBKVSA-N 2 0 347.547 3.093 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)nc1 ZINC001165182301 1383243045 /nfs/dbraw/zinc/24/30/45/1383243045.db2.gz KAXDEHIBESNFSE-ZVDOUQERSA-N 2 0 342.531 3.407 20 0 EGADRP C[NH+]1CCC(COc2ccc(NC=CC3CC[NH2+]CC3)cc2)CC1 ZINC001165213482 1383249665 /nfs/dbraw/zinc/24/96/65/1383249665.db2.gz GDPPHWOXVJQPEE-JYRVWZFOSA-N 2 0 329.488 3.332 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001165360772 1383281820 /nfs/dbraw/zinc/28/18/20/1383281820.db2.gz RZXKRGNCNFJPIA-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001165763526 1383341378 /nfs/dbraw/zinc/34/13/78/1383341378.db2.gz AKOWKZXQUXTFOD-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165993089 1383374762 /nfs/dbraw/zinc/37/47/62/1383374762.db2.gz QMYOKSTVMNKTBH-UHFFFAOYSA-N 2 0 342.487 3.404 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CCC3CC3)CC2)CCCCC1 ZINC001166380743 1383417482 /nfs/dbraw/zinc/41/74/82/1383417482.db2.gz IOOFBROYRJBZLX-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166409580 1383419487 /nfs/dbraw/zinc/41/94/87/1383419487.db2.gz WIOJMQBWTXQCCX-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)[NH+](CC)CC ZINC001166439052 1383422493 /nfs/dbraw/zinc/42/24/93/1383422493.db2.gz BAXVSAAEGTXUQK-KRWDZBQOSA-N 2 0 339.911 3.056 20 0 EGADRP CCc1ccccc1CC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166439620 1383422749 /nfs/dbraw/zinc/42/27/49/1383422749.db2.gz ISXGXGUBXMCAOV-HXUWFJFHSA-N 2 0 347.547 3.008 20 0 EGADRP CCc1ccc(CC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC)cc1 ZINC001166447690 1383423625 /nfs/dbraw/zinc/42/36/25/1383423625.db2.gz NFPCDEHBNJXNLF-HXUWFJFHSA-N 2 0 347.547 3.008 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166896286 1383495771 /nfs/dbraw/zinc/49/57/71/1383495771.db2.gz FKXUZEYLFZLVTK-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167051714 1383528081 /nfs/dbraw/zinc/52/80/81/1383528081.db2.gz ZGDZTBNIVZTQMS-GFOMBABLSA-N 2 0 337.552 3.195 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CCCCCF)CC1)[NH+](CC)CC ZINC001167180334 1383560649 /nfs/dbraw/zinc/56/06/49/1383560649.db2.gz XVJXOUBCUVLIQG-KRWDZBQOSA-N 2 0 343.531 3.123 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2c(C)cccc2C)CC1)[NH+](C)C ZINC001167257615 1383577348 /nfs/dbraw/zinc/57/73/48/1383577348.db2.gz FBYXOJGXHSWWTA-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1)[NH+](C)C ZINC001167260841 1383578049 /nfs/dbraw/zinc/57/80/49/1383578049.db2.gz MXNWTGZTJBSHMX-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001167471158 1383643079 /nfs/dbraw/zinc/64/30/79/1383643079.db2.gz YFGXDGCSRZKGES-YRNVUSSQSA-N 2 0 343.943 3.127 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001167609636 1383689148 /nfs/dbraw/zinc/68/91/48/1383689148.db2.gz OCVHYXJXDGJXBP-GOSISDBHSA-N 2 0 345.531 3.109 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001167626681 1383692261 /nfs/dbraw/zinc/69/22/61/1383692261.db2.gz FFNWPKLNXIUDAG-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001167640024 1383695780 /nfs/dbraw/zinc/69/57/80/1383695780.db2.gz KMFNDPRHSMIHPN-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP CCC[NH2+]CC1(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001167711301 1383719230 /nfs/dbraw/zinc/71/92/30/1383719230.db2.gz VMFSJPUXDYTMFF-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167815648 1383747480 /nfs/dbraw/zinc/74/74/80/1383747480.db2.gz WRIALDNMYCIFEW-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001167824601 1383749452 /nfs/dbraw/zinc/74/94/52/1383749452.db2.gz POLHDMRIIHHTDD-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1cc[nH+]cc1C)C1CC[NH2+]CC1 ZINC001167833951 1383753208 /nfs/dbraw/zinc/75/32/08/1383753208.db2.gz GLZKIIDUNWOYLQ-GOSISDBHSA-N 3 0 332.536 3.459 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(OC)c2)C1 ZINC001167836219 1383754216 /nfs/dbraw/zinc/75/42/16/1383754216.db2.gz XTIUZYJFFLAGRD-SJLPKXTDSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(OC)cn2)C1 ZINC001167835553 1383754372 /nfs/dbraw/zinc/75/43/72/1383754372.db2.gz RHHVYZRVNRUCBS-AEFFLSMTSA-N 2 0 335.492 3.054 20 0 EGADRP [NH3+]CC[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc21 ZINC001167966157 1383781802 /nfs/dbraw/zinc/78/18/02/1383781802.db2.gz QYWDIOWYHRVKCT-HTUJPFKRSA-N 2 0 325.500 3.344 20 0 EGADRP COc1ccc2c(c1)c(C[NH3+])nn2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981932 1383786929 /nfs/dbraw/zinc/78/69/29/1383786929.db2.gz PVZPSVMSFRJSHM-XYPWUTKMSA-N 2 0 340.471 3.082 20 0 EGADRP c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167988241 1383788929 /nfs/dbraw/zinc/78/89/29/1383788929.db2.gz PBBHQXBHFXPVLX-CBQGHPETSA-N 2 0 339.527 3.210 20 0 EGADRP CC[NH+](CC)Cc1cncc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1 ZINC001167988091 1383788994 /nfs/dbraw/zinc/78/89/94/1383788994.db2.gz UTLVFMFHTFYRDY-UHFFFAOYSA-N 2 0 338.455 3.074 20 0 EGADRP Cc1cccnc1O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001938 1383792679 /nfs/dbraw/zinc/79/26/79/1383792679.db2.gz KYPXBKICTXVKFK-XNMUZJSGSA-N 2 0 341.499 3.249 20 0 EGADRP c1cc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)ccn1 ZINC001168002472 1383793087 /nfs/dbraw/zinc/79/30/87/1383793087.db2.gz TXPAGABJBIYLOU-VHRCFOOQSA-N 2 0 341.499 3.330 20 0 EGADRP C[C@@H]1CC([NH2+]CCOc2ccncc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034992 1383801145 /nfs/dbraw/zinc/80/11/45/1383801145.db2.gz RZUUHQMEDAZSKI-QZTJIDSGSA-N 2 0 339.483 3.492 20 0 EGADRP COC(=O)C1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168048543 1383804105 /nfs/dbraw/zinc/80/41/05/1383804105.db2.gz WZTWFHAOWXKTOO-IRXDYDNUSA-N 2 0 344.499 3.313 20 0 EGADRP CCOC(=O)[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061548 1383806598 /nfs/dbraw/zinc/80/65/98/1383806598.db2.gz IRRRZGSTSZRXQI-JENIJYKNSA-N 2 0 344.499 3.313 20 0 EGADRP CC[N@@H+]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001168066276 1383809509 /nfs/dbraw/zinc/80/95/09/1383809509.db2.gz MOANYJOKLRZWTF-RCLSDMTESA-N 2 0 329.532 3.454 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CCO[C@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC001168120342 1383821707 /nfs/dbraw/zinc/82/17/07/1383821707.db2.gz ZQLHINCTPQVSDU-IAGOWNOFSA-N 2 0 325.456 3.233 20 0 EGADRP C[NH+](C)C1CCC(Nc2ccc(Br)cc2C[NH3+])CC1 ZINC001168305307 1383868401 /nfs/dbraw/zinc/86/84/01/1383868401.db2.gz IAEHWWZTSDXYJO-UHFFFAOYSA-N 2 0 326.282 3.193 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC001168305932 1383868516 /nfs/dbraw/zinc/86/85/16/1383868516.db2.gz UZRHBIZEXKAXLT-UHFFFAOYSA-N 2 0 325.456 3.241 20 0 EGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168314059 1383870767 /nfs/dbraw/zinc/87/07/67/1383870767.db2.gz JDUUCGCXSBSCBI-GTPINHCMSA-N 2 0 339.524 3.191 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001168314299 1383871539 /nfs/dbraw/zinc/87/15/39/1383871539.db2.gz CILDLSFFWOKPRS-ACBHZAAOSA-N 2 0 330.472 3.067 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001168326620 1383873144 /nfs/dbraw/zinc/87/31/44/1383873144.db2.gz CPMQSMLJGYPLNU-RYTJFDOTSA-N 2 0 336.483 3.389 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001168335669 1383875835 /nfs/dbraw/zinc/87/58/35/1383875835.db2.gz PAPLBQKYBHLGLT-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335853 1383877150 /nfs/dbraw/zinc/87/71/50/1383877150.db2.gz WOYUSIOLAWESOJ-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP Fc1ccc(C[N@@H+]2CCCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168387408 1383892082 /nfs/dbraw/zinc/89/20/82/1383892082.db2.gz HOVBFOOBBORIRL-UHFFFAOYSA-N 2 0 345.506 3.208 20 0 EGADRP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001168413004 1383900467 /nfs/dbraw/zinc/90/04/67/1383900467.db2.gz VHEVNKXPNYHHRI-FNAHDJPLSA-N 2 0 336.454 3.403 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168590889 1383943633 /nfs/dbraw/zinc/94/36/33/1383943633.db2.gz SLUJGSDNKRSCBJ-HBWRTXEVSA-N 2 0 330.472 3.130 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168592117 1383944046 /nfs/dbraw/zinc/94/40/46/1383944046.db2.gz XVGNMXWVHALLST-AZUAARDMSA-N 2 0 332.488 3.379 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001168595582 1383944548 /nfs/dbraw/zinc/94/45/48/1383944548.db2.gz LFJRWLIMXUIXRU-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)CCO2)cc1 ZINC001168609291 1383947803 /nfs/dbraw/zinc/94/78/03/1383947803.db2.gz GHOULHZZIYXUAE-TZIWHRDSSA-N 2 0 344.499 3.379 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH+]3CCC(C[NH+](C)C)CC3)CCO2)cc1 ZINC001168652738 1383959831 /nfs/dbraw/zinc/95/98/31/1383959831.db2.gz JIFDJBMLOWCTFQ-AZUAARDMSA-N 2 0 332.488 3.189 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]Cc1c(C)cccc1C)C(C)C ZINC001168667298 1383964565 /nfs/dbraw/zinc/96/45/65/1383964565.db2.gz SBUGDXYMKMDRDF-FQEVSTJZSA-N 2 0 347.547 3.266 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CCC1CCCCC1)C(C)C ZINC001168666794 1383964610 /nfs/dbraw/zinc/96/46/10/1383964610.db2.gz MAJNDIMGOXJUJH-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001168667239 1383964767 /nfs/dbraw/zinc/96/47/67/1383964767.db2.gz QILVRHIFLVJZBA-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C[NH+](CC)CC)c1ccc(Cl)cc1 ZINC001168764272 1383995575 /nfs/dbraw/zinc/99/55/75/1383995575.db2.gz WYCWJNXFEDMOLP-QGZVFWFLSA-N 2 0 339.911 3.229 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CN1C(=O)OC(C)(C)C ZINC001168806205 1384014040 /nfs/dbraw/zinc/01/40/40/1384014040.db2.gz JUYRNKOTCMPWRV-MAUKXSAKSA-N 2 0 347.503 3.236 20 0 EGADRP CCC1(CC)CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001307928963 1384058666 /nfs/dbraw/zinc/05/86/66/1384058666.db2.gz PWZJUKFIOSWSQN-IBGZPJMESA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](O)[C@H]1CCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001307937633 1384059010 /nfs/dbraw/zinc/05/90/10/1384059010.db2.gz AUMGCSVVJFAKQV-GHTZIAJQSA-N 2 0 330.516 3.176 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001169049483 1384100673 /nfs/dbraw/zinc/10/06/73/1384100673.db2.gz IIOCDHBQJNCGSB-HXUWFJFHSA-N 2 0 331.548 3.259 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCC[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001169077887 1384103394 /nfs/dbraw/zinc/10/33/94/1384103394.db2.gz BGDHVTCOZURZBY-DKUWSORSSA-N 2 0 341.543 3.156 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001169093587 1384105771 /nfs/dbraw/zinc/10/57/71/1384105771.db2.gz ITHSYYSDYFMHLA-BJWYYQGGSA-N 2 0 339.524 3.286 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001169108165 1384108267 /nfs/dbraw/zinc/10/82/67/1384108267.db2.gz OZDYEIAGLLBDBS-REPLKXPHSA-N 2 0 344.499 3.399 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(Br)s1)C2 ZINC001169118335 1384108970 /nfs/dbraw/zinc/10/89/70/1384108970.db2.gz HPVJHTATRSYITP-CNDDSTCGSA-N 2 0 329.307 3.268 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122924 1384110177 /nfs/dbraw/zinc/11/01/77/1384110177.db2.gz GGOWZQSDIQEKJP-JFHUYLGKSA-N 2 0 327.516 3.112 20 0 EGADRP CCOC(=O)CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169128300 1384111422 /nfs/dbraw/zinc/11/14/22/1384111422.db2.gz CLIYUTNHGAPDHZ-REPLKXPHSA-N 2 0 330.472 3.067 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131802 1384111444 /nfs/dbraw/zinc/11/14/44/1384111444.db2.gz ZOUUMCKENKCPBA-BJWYYQGGSA-N 2 0 349.519 3.087 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(C[NH+](Cc4ccccc4)C3)CC1)C2 ZINC001169155773 1384116592 /nfs/dbraw/zinc/11/65/92/1384116592.db2.gz UNXHHLSZVBCEMW-WKCHPHFGSA-N 2 0 339.527 3.210 20 0 EGADRP COc1ccc(OC)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001308346073 1384120868 /nfs/dbraw/zinc/12/08/68/1384120868.db2.gz FOMOAWLWRJADJV-UHFFFAOYSA-N 2 0 341.455 3.105 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC001308436676 1384125661 /nfs/dbraw/zinc/12/56/61/1384125661.db2.gz LXHZRRXPYMYSPC-UHFFFAOYSA-N 2 0 346.515 3.458 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001169297378 1384133686 /nfs/dbraw/zinc/13/36/86/1384133686.db2.gz LNANIKIHGKAQPA-ZMTPEHOPSA-N 2 0 342.483 3.038 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169807975 1384187603 /nfs/dbraw/zinc/18/76/03/1384187603.db2.gz AHNHKBTYAJBKRJ-VQIMIIECSA-N 2 0 349.494 3.015 20 0 EGADRP C([NH2+][C@H]1CCCC2(C1)OCCO2)C1CC[NH+](C2CCCCC2)CC1 ZINC001169909862 1384197256 /nfs/dbraw/zinc/19/72/56/1384197256.db2.gz MXYAYNXRIAIRHC-SFHVURJKSA-N 2 0 336.520 3.306 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001169959472 1384205233 /nfs/dbraw/zinc/20/52/33/1384205233.db2.gz WZEOMHIUHXPDRS-INIZCTEOSA-N 2 0 349.494 3.103 20 0 EGADRP CC1(C)CC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC(C)(C)N1O ZINC001169985068 1384211226 /nfs/dbraw/zinc/21/12/26/1384211226.db2.gz YBBXEMJHVPNXCU-UHFFFAOYSA-N 2 0 337.552 3.499 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170460119 1384325121 /nfs/dbraw/zinc/32/51/21/1384325121.db2.gz QGJKGDHZZXYJOY-OSYLJGHBSA-N 2 0 341.540 3.484 20 0 EGADRP Cc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170523845 1384334896 /nfs/dbraw/zinc/33/48/96/1384334896.db2.gz FSSQYKDFZMVNKY-UHFFFAOYSA-N 2 0 334.467 3.300 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170768954 1384382480 /nfs/dbraw/zinc/38/24/80/1384382480.db2.gz BGMYEPGVLPEWLD-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001170783851 1384384674 /nfs/dbraw/zinc/38/46/74/1384384674.db2.gz ABPODRSITWYIFP-RTBURBONSA-N 2 0 339.568 3.419 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170870823 1384401888 /nfs/dbraw/zinc/40/18/88/1384401888.db2.gz KAOIIUAIXVAYRC-OZHPBFKBSA-N 2 0 337.552 3.338 20 0 EGADRP CC/C=C/CC[NH2+]CCCNC(=O)CCC[NH+](CCC)CCC ZINC001170877052 1384403182 /nfs/dbraw/zinc/40/31/82/1384403182.db2.gz SGKNNSOCWSPSMN-BQYQJAHWSA-N 2 0 325.541 3.341 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001170877598 1384403485 /nfs/dbraw/zinc/40/34/85/1384403485.db2.gz ZIZRACFLRDSLJF-UHFFFAOYSA-N 2 0 347.547 3.493 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(-c2ccccc2OC(F)(F)F)n1 ZINC001170897858 1384407434 /nfs/dbraw/zinc/40/74/34/1384407434.db2.gz PJTRRZCZJBKBGV-AWEZNQCLSA-N 2 0 340.349 3.083 20 0 EGADRP NC(=[NH2+])SCCSC(=[NH2+])N[C@H]1CCc2cccc(Cl)c2C1 ZINC001170901452 1384408074 /nfs/dbraw/zinc/40/80/74/1384408074.db2.gz CHINRXCXRHCYQZ-JTQLQIEISA-N 2 0 342.921 3.082 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171068195 1384440646 /nfs/dbraw/zinc/44/06/46/1384440646.db2.gz FAXAPTYTCMIMJI-AEFFLSMTSA-N 2 0 345.547 3.367 20 0 EGADRP [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc([C@H]4CCC[NH2+]4)cn3)c2C1 ZINC001171091265 1384444072 /nfs/dbraw/zinc/44/40/72/1384444072.db2.gz RAPIXJBYVKOWRK-CRAIPNDOSA-N 2 0 332.451 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171122356 1384450213 /nfs/dbraw/zinc/45/02/13/1384450213.db2.gz ZYMODTIQWAANEC-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001171162106 1384458597 /nfs/dbraw/zinc/45/85/97/1384458597.db2.gz ULSVXPZXNUJCRF-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)CC[C@@H](c1ccc(NCC(C)(C)[NH3+])cc1)c1ccccn1 ZINC001171192266 1384464950 /nfs/dbraw/zinc/46/49/50/1384464950.db2.gz AEBHYJYJRUCPNZ-SFHVURJKSA-N 2 0 326.488 3.314 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246028 1384477680 /nfs/dbraw/zinc/47/76/80/1384477680.db2.gz DIPAIGRRAQWKQO-FUHWJXTLSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171248313 1384477971 /nfs/dbraw/zinc/47/79/71/1384477971.db2.gz SERGLIOLNYEUQC-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001316630835 1384493885 /nfs/dbraw/zinc/49/38/85/1384493885.db2.gz ZGZJEPJAQVHGBH-FCGDIQPGSA-N 2 0 349.563 3.172 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171360222 1384501610 /nfs/dbraw/zinc/50/16/10/1384501610.db2.gz XYGFHILHIMUYFC-AEFFLSMTSA-N 2 0 327.557 3.273 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001171499722 1384543367 /nfs/dbraw/zinc/54/33/67/1384543367.db2.gz GGSALMOZIFWKGM-PKOBYXMFSA-N 2 0 333.520 3.100 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508548 1384545661 /nfs/dbraw/zinc/54/56/61/1384545661.db2.gz FQJQQPNCXMVZQA-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509396 1384546475 /nfs/dbraw/zinc/54/64/75/1384546475.db2.gz OXVWHYZMIYAPDK-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP [NH3+]CCC1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171523030 1384550358 /nfs/dbraw/zinc/55/03/58/1384550358.db2.gz XLTWLZQPEMOLEZ-UXUKBGGZSA-N 2 0 326.406 3.458 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542396 1384557990 /nfs/dbraw/zinc/55/79/90/1384557990.db2.gz QAMHDDIMRSJEGD-CQSZACIVSA-N 2 0 326.406 3.235 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571414 1384567113 /nfs/dbraw/zinc/56/71/13/1384567113.db2.gz XRKCNVDHKDRYNH-RTWAWAEBSA-N 2 0 342.527 3.428 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001171586368 1384572232 /nfs/dbraw/zinc/57/22/32/1384572232.db2.gz NDTCGWAHCHWWCJ-INIZCTEOSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001171586298 1384572256 /nfs/dbraw/zinc/57/22/56/1384572256.db2.gz LFCFQBHJDKWPHJ-GOSISDBHSA-N 2 0 347.547 3.490 20 0 EGADRP CN1C(=O)CCC12CCC([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171619575 1384582371 /nfs/dbraw/zinc/58/23/71/1384582371.db2.gz PSMKQQNNGGVJDZ-UHFFFAOYSA-N 2 0 335.536 3.161 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)Cc2ccc(Cl)cc2)CC1(C)C ZINC001171621565 1384583268 /nfs/dbraw/zinc/58/32/68/1384583268.db2.gz MYUNZIMIAYQVFF-INIZCTEOSA-N 2 0 338.923 3.484 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)ccc2c[nH+]cn21 ZINC001171629357 1384585418 /nfs/dbraw/zinc/58/54/18/1384585418.db2.gz MOSVREUTAYUQMJ-HNNXBMFYSA-N 2 0 342.487 3.321 20 0 EGADRP COc1cccnc1O[C@@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171640567 1384589814 /nfs/dbraw/zinc/58/98/14/1384589814.db2.gz FJNXZMTZFVAPCI-MRXNPFEDSA-N 2 0 347.503 3.195 20 0 EGADRP C[NH+]1C(C)(C)CC(N(c2ccncc2F)C2CC[NH2+]CC2)CC1(C)C ZINC001171641948 1384590006 /nfs/dbraw/zinc/59/00/06/1384590006.db2.gz XCGHOBQQSVDYHG-UHFFFAOYSA-N 2 0 348.510 3.431 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646757 1384592188 /nfs/dbraw/zinc/59/21/88/1384592188.db2.gz PBTFCUMUWZUPHX-ZWKOTPCHSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3ncccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732880 1384618426 /nfs/dbraw/zinc/61/84/26/1384618426.db2.gz MCRXPFPOFQVGRH-VQIMIIECSA-N 2 0 334.467 3.373 20 0 EGADRP C[C@@H]1C[C@H](N2CCC([NH+](C)C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171758693 1384626514 /nfs/dbraw/zinc/62/65/14/1384626514.db2.gz AFOXMZDGGXQOIN-UTKZUKDTSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171762344 1384628303 /nfs/dbraw/zinc/62/83/03/1384628303.db2.gz JIXOWKZWUNZRLK-HLAWJBBLSA-N 2 0 327.516 3.210 20 0 EGADRP C[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171769579 1384630299 /nfs/dbraw/zinc/63/02/99/1384630299.db2.gz UOEPNTSVOJUPLV-HZEGPAAWSA-N 2 0 345.506 3.158 20 0 EGADRP C[C@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171769578 1384630751 /nfs/dbraw/zinc/63/07/51/1384630751.db2.gz UOEPNTSVOJUPLV-FYZZASKESA-N 2 0 345.506 3.158 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812787 1384647470 /nfs/dbraw/zinc/64/74/70/1384647470.db2.gz TXKHBADQWHVSHC-MRXNPFEDSA-N 2 0 330.476 3.403 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC12CCC2 ZINC001171828257 1384652797 /nfs/dbraw/zinc/65/27/97/1384652797.db2.gz GAJVGWNDDZZUGE-ARFHVFGLSA-N 2 0 337.508 3.168 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C)([NH3+])CC2)CC12CCC2 ZINC001171837785 1384657252 /nfs/dbraw/zinc/65/72/52/1384657252.db2.gz IIRGCLOSRQHGKE-OAHLLOKOSA-N 2 0 337.508 3.122 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867144 1384666120 /nfs/dbraw/zinc/66/61/20/1384666120.db2.gz UXKPMLADHSBZQA-HXUWFJFHSA-N 2 0 345.531 3.393 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171877399 1384668833 /nfs/dbraw/zinc/66/88/33/1384668833.db2.gz OWCGPWVMIDNEDK-HSALFYBXSA-N 2 0 343.515 3.144 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894851 1384672934 /nfs/dbraw/zinc/67/29/34/1384672934.db2.gz LJUWMKFOUMHOLP-HXUWFJFHSA-N 2 0 343.515 3.099 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCC(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171961667 1384696463 /nfs/dbraw/zinc/69/64/63/1384696463.db2.gz AFBRAIMSVBWDSC-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969197 1384698667 /nfs/dbraw/zinc/69/86/67/1384698667.db2.gz UJMIUHPKWRTCRR-UXHICEINSA-N 2 0 329.532 3.361 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCN2CCC(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171974620 1384701021 /nfs/dbraw/zinc/70/10/21/1384701021.db2.gz IGYXCJIYEBQZHJ-HXUWFJFHSA-N 2 0 347.522 3.453 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983186 1384703761 /nfs/dbraw/zinc/70/37/61/1384703761.db2.gz VSUVKKQDZDUTQL-QHAWAJNXSA-N 3 0 341.543 3.313 20 0 EGADRP COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989898 1384706033 /nfs/dbraw/zinc/70/60/33/1384706033.db2.gz ITWIEILVLMHKQI-GHTZIAJQSA-N 2 0 344.499 3.315 20 0 EGADRP COC(=O)[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067782 1384717092 /nfs/dbraw/zinc/71/70/92/1384717092.db2.gz FPETYVIDVDTSDC-YSTOQKLRSA-N 2 0 342.483 3.067 20 0 EGADRP C[N@H+]1C[C@H]2CC[C@@H](C1)N2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076288 1384719431 /nfs/dbraw/zinc/71/94/31/1384719431.db2.gz XPDJJJFGUDRMAL-ANWOVWILSA-N 2 0 339.527 3.351 20 0 EGADRP Cc1[nH]c(=O)c(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2c1CCCC2 ZINC001172104211 1384727025 /nfs/dbraw/zinc/72/70/25/1384727025.db2.gz ASNHJXZIYJJIHW-MUJYYYPQSA-N 2 0 329.488 3.079 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccn3)CCOCC1)C2 ZINC001172110144 1384730178 /nfs/dbraw/zinc/73/01/78/1384730178.db2.gz IEVGNHQCMTYOKW-ACDBMABISA-N 2 0 343.515 3.026 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115345 1384731180 /nfs/dbraw/zinc/73/11/80/1384731180.db2.gz WKCVKNZUTKOJOF-JFHUYLGKSA-N 2 0 327.516 3.112 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cn1)C2 ZINC001172119383 1384732969 /nfs/dbraw/zinc/73/29/69/1384732969.db2.gz ZGFFXTWSZSLHBI-MUJYYYPQSA-N 2 0 327.394 3.248 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OC1CCOCC1)C2 ZINC001172117913 1384733378 /nfs/dbraw/zinc/73/33/78/1384733378.db2.gz ORYFGQINLSTDGA-REPLKXPHSA-N 2 0 344.499 3.349 20 0 EGADRP Cc1cccnc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172133590 1384738558 /nfs/dbraw/zinc/73/85/58/1384738558.db2.gz TXFWZXRJOBSRRI-RDGPPVDQSA-N 2 0 329.488 3.249 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CSc2ccccc2C1 ZINC001172205742 1384748449 /nfs/dbraw/zinc/74/84/49/1384748449.db2.gz XRQMLGNPUFTGDB-GOSISDBHSA-N 2 0 342.508 3.434 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CSc4ccccc4C3)CC2)cc[nH+]1 ZINC001172207342 1384748534 /nfs/dbraw/zinc/74/85/34/1384748534.db2.gz APRLOVQZXWRURV-SFHVURJKSA-N 2 0 325.481 3.229 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(Cc3ccccc3C)CC2)CC1 ZINC001172248467 1384755796 /nfs/dbraw/zinc/75/57/96/1384755796.db2.gz JGCWFEYTUWBBDA-UHFFFAOYSA-N 2 0 330.516 3.408 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1CN1CC[NH+](C)CC1 ZINC001172315183 1384767992 /nfs/dbraw/zinc/76/79/92/1384767992.db2.gz FZQXFBHSYQGVBL-MOPGFXCFSA-N 2 0 347.547 3.117 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172335367 1384773373 /nfs/dbraw/zinc/77/33/73/1384773373.db2.gz JPFKQSZQUHKIFD-ZWKOTPCHSA-N 2 0 333.520 3.477 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172339424 1384773948 /nfs/dbraw/zinc/77/39/48/1384773948.db2.gz ULNMXLIXALRZBQ-ROUUACIJSA-N 2 0 333.520 3.477 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@H](C)CCO[C@H](C)CC)CC1 ZINC001172352813 1384775289 /nfs/dbraw/zinc/77/52/89/1384775289.db2.gz JXHGZJQGQRDPEN-WOJBJXKFSA-N 2 0 341.584 3.320 20 0 EGADRP CCOCC[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001172426185 1384789637 /nfs/dbraw/zinc/78/96/37/1384789637.db2.gz WFXCZHLNHRTBBF-GOSISDBHSA-N 2 0 331.504 3.185 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172555229 1384811357 /nfs/dbraw/zinc/81/13/57/1384811357.db2.gz CLAGATGPXPKUIS-MSOLQXFVSA-N 2 0 330.472 3.069 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172562275 1384811973 /nfs/dbraw/zinc/81/19/73/1384811973.db2.gz XJIALXCTXRKLDP-TZIWHRDSSA-N 2 0 327.516 3.035 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172751337 1384843527 /nfs/dbraw/zinc/84/35/27/1384843527.db2.gz JGWJRFDAAKIODS-KRWDZBQOSA-N 2 0 347.503 3.004 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1)[NH+](CC)CC ZINC001317085569 1384848380 /nfs/dbraw/zinc/84/83/80/1384848380.db2.gz AGGYYSYFDKUBPV-NNFUDEMPSA-N 2 0 349.494 3.244 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001172778501 1384849644 /nfs/dbraw/zinc/84/96/44/1384849644.db2.gz MQPOKSUZSLURTJ-ZWKOTPCHSA-N 2 0 338.536 3.456 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001172797131 1384854871 /nfs/dbraw/zinc/85/48/71/1384854871.db2.gz GMOMELLYFLTCIR-UHOSZYNNSA-N 2 0 332.488 3.205 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC2 ZINC001172830408 1384861099 /nfs/dbraw/zinc/86/10/99/1384861099.db2.gz IIYIXIIATPJYLY-IBGZPJMESA-N 2 0 331.548 3.328 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H](C)CSc1ccc(Cl)cc1 ZINC001172873361 1384869658 /nfs/dbraw/zinc/86/96/58/1384869658.db2.gz LPCXTSZVTIWEFJ-CYBMUJFWSA-N 2 0 342.940 3.276 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172955382 1384889747 /nfs/dbraw/zinc/88/97/47/1384889747.db2.gz WASRECQAQFJWMS-VQTJNVASSA-N 2 0 339.568 3.074 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172972228 1384892860 /nfs/dbraw/zinc/89/28/60/1384892860.db2.gz UBJWIKUIGUVEIR-INIZCTEOSA-N 2 0 329.529 3.296 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075829 1384908512 /nfs/dbraw/zinc/90/85/12/1384908512.db2.gz LRMGYMPNMFIMLK-IAGOWNOFSA-N 2 0 341.540 3.438 20 0 EGADRP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173089537 1384911919 /nfs/dbraw/zinc/91/19/19/1384911919.db2.gz YGRILLYMZJEREI-FRFSOERESA-N 2 0 342.405 3.400 20 0 EGADRP CCOC(=O)C[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)c1cccnc1 ZINC001173102827 1384914772 /nfs/dbraw/zinc/91/47/72/1384914772.db2.gz BUTWTAPDPPNQBK-ACBHZAAOSA-N 2 0 347.503 3.319 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCc2nc3ccccc3n2C)CC1 ZINC001173105399 1384915499 /nfs/dbraw/zinc/91/54/99/1384915499.db2.gz SFRFBRNUBNAAHJ-UHFFFAOYSA-N 2 0 328.504 3.358 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H]2COc3ccc(OC)cc3C2)CC1 ZINC001173106269 1384915526 /nfs/dbraw/zinc/91/55/26/1384915526.db2.gz LBLZGYMHOJGNSZ-IPJUCJBFSA-N 2 0 346.515 3.489 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173106658 1384915676 /nfs/dbraw/zinc/91/56/76/1384915676.db2.gz BAJXLUKKYJRLBH-UHFFFAOYSA-N 2 0 335.458 3.256 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2(c3ccccc3OC)COC2)CC1 ZINC001173107321 1384916314 /nfs/dbraw/zinc/91/63/14/1384916314.db2.gz OUKIVAQKTUFCST-UHFFFAOYSA-N 2 0 332.488 3.163 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc(CC(=O)OC)c2)CC1 ZINC001173110411 1384916989 /nfs/dbraw/zinc/91/69/89/1384916989.db2.gz NXLSLMWUNYXMLH-UHFFFAOYSA-N 2 0 332.488 3.145 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@H]2COc3cc(OC)ccc3C2)CC1 ZINC001173111166 1384917076 /nfs/dbraw/zinc/91/70/76/1384917076.db2.gz YFYVZLYJKALTCL-IVMQYODDSA-N 2 0 346.515 3.489 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC1 ZINC001173114697 1384917941 /nfs/dbraw/zinc/91/79/41/1384917941.db2.gz QKGVHQFBQMNOON-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP c1nc2c(s1)C[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC001173121176 1384918414 /nfs/dbraw/zinc/91/84/14/1384918414.db2.gz JILQZDJTUZUGJH-QGZVFWFLSA-N 2 0 327.497 3.386 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC2CCCC2)CCC1 ZINC001317174945 1384945053 /nfs/dbraw/zinc/94/50/53/1384945053.db2.gz WVDXMSQEDSBCOZ-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[C@@H](CC(C)C)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001173259456 1384946271 /nfs/dbraw/zinc/94/62/71/1384946271.db2.gz IUQRRFRICIVNPX-IBGZPJMESA-N 2 0 337.552 3.253 20 0 EGADRP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC001173269776 1384947983 /nfs/dbraw/zinc/94/79/83/1384947983.db2.gz XTORMEUTZNNEOR-AYWYSENESA-N 2 0 333.564 3.494 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CCCC2CCC2)CC1 ZINC001317176761 1384949123 /nfs/dbraw/zinc/94/91/23/1384949123.db2.gz OJXPFYLFVMXVID-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2Cc3cc(F)c(F)cc3C2)cc1 ZINC001173474660 1384976476 /nfs/dbraw/zinc/97/64/76/1384976476.db2.gz FVCLCKVJUZEFMX-UHFFFAOYSA-N 2 0 346.421 3.162 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC([NH3+])(CC3CC3)CC1)CC2 ZINC001173609058 1384988110 /nfs/dbraw/zinc/98/81/10/1384988110.db2.gz XGJIECULZMAHOX-TVRKMHQQSA-N 2 0 334.504 3.092 20 0 EGADRP C[C@@H]1CC([NH2+]CC2CC[NH+](C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173671944 1385001145 /nfs/dbraw/zinc/00/11/45/1385001145.db2.gz IASSCLUIQBBDTI-HUUCEWRRSA-N 2 0 339.524 3.094 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001317220861 1385001540 /nfs/dbraw/zinc/00/15/40/1385001540.db2.gz MRIXBXFENQFJBI-VNCLNFNDSA-N 2 0 349.494 3.246 20 0 EGADRP C[N@@H+]1CCCN(CC[NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173688507 1385004101 /nfs/dbraw/zinc/00/41/01/1385004101.db2.gz DVCOICZKEIWDCO-UHFFFAOYSA-N 2 0 341.543 3.040 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)cs1 ZINC001317294835 1385067033 /nfs/dbraw/zinc/06/70/33/1385067033.db2.gz RRTATEUHLCHVSO-AWEZNQCLSA-N 2 0 345.512 3.026 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001317407895 1385119800 /nfs/dbraw/zinc/11/98/00/1385119800.db2.gz GXKDEOVIHXXDFF-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001174950541 1385173729 /nfs/dbraw/zinc/17/37/29/1385173729.db2.gz WYPNUUKMANMBLH-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174962560 1385175121 /nfs/dbraw/zinc/17/51/21/1385175121.db2.gz VEYZBWRQLQOYSZ-BZPDREMPSA-N 2 0 345.531 3.306 20 0 EGADRP COc1c(C)cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC001174998424 1385181094 /nfs/dbraw/zinc/18/10/94/1385181094.db2.gz UIAVFCQUQPNWAZ-UHFFFAOYSA-N 2 0 326.444 3.202 20 0 EGADRP C[C@H](CCCC[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)CC[NH+](C)C ZINC001175048830 1385186098 /nfs/dbraw/zinc/18/60/98/1385186098.db2.gz LABWVIQBCHMONJ-HZPDHXFCSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)CC[NH+](C)C ZINC001175048973 1385186163 /nfs/dbraw/zinc/18/61/63/1385186163.db2.gz MYGQSDONOSSKBL-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001175108576 1385196414 /nfs/dbraw/zinc/19/64/14/1385196414.db2.gz UASMDZLHJALBPK-IAGOWNOFSA-N 2 0 327.557 3.273 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001317514364 1385228469 /nfs/dbraw/zinc/22/84/69/1385228469.db2.gz VFKOTISYIITYKL-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271371 1385236208 /nfs/dbraw/zinc/23/62/08/1385236208.db2.gz AKWCXHRHTQZZRJ-LXPRWKDFSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175296847 1385242060 /nfs/dbraw/zinc/24/20/60/1385242060.db2.gz QRFHKWVEDRBAMA-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295172 1385242092 /nfs/dbraw/zinc/24/20/92/1385242092.db2.gz DCQMNVCGRBHQAJ-LXPRWKDFSA-N 2 0 339.568 3.275 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175296439 1385242347 /nfs/dbraw/zinc/24/23/47/1385242347.db2.gz OUNCLUHVCWNFNW-IBGZPJMESA-N 2 0 347.547 3.226 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001317554175 1385318487 /nfs/dbraw/zinc/31/84/87/1385318487.db2.gz UUNMYWISSYYRIZ-UXHICEINSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001317556079 1385325165 /nfs/dbraw/zinc/32/51/65/1385325165.db2.gz AWSHXNIPUSOQMK-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](Cc1c(C)cc(C)cc1C)C1CC1)[NH+](C)C ZINC001317556357 1385325838 /nfs/dbraw/zinc/32/58/38/1385325838.db2.gz CUPONHYYVDAYBI-FQEVSTJZSA-N 2 0 345.531 3.033 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581209 1385339097 /nfs/dbraw/zinc/33/90/97/1385339097.db2.gz IZMAIKHIKOXBTA-QWNKOJSDSA-N 2 0 337.552 3.339 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1)C(C)C ZINC001175747206 1385394620 /nfs/dbraw/zinc/39/46/20/1385394620.db2.gz OSAJFHFWYDJIHZ-HKUYNNGSSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001175786315 1385405812 /nfs/dbraw/zinc/40/58/12/1385405812.db2.gz ITNDEQKFXKWTSF-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001175786724 1385405814 /nfs/dbraw/zinc/40/58/14/1385405814.db2.gz OHWOICCENRMHJC-SFHVURJKSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175875086 1385427472 /nfs/dbraw/zinc/42/74/72/1385427472.db2.gz XMMKLMMTIUQTKD-IBGZPJMESA-N 2 0 349.563 3.483 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001176022990 1385463207 /nfs/dbraw/zinc/46/32/07/1385463207.db2.gz FAOKWDKQYAGDIB-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001176112322 1385487992 /nfs/dbraw/zinc/48/79/92/1385487992.db2.gz POEAKPSNMYVPAH-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165788 1385500696 /nfs/dbraw/zinc/50/06/96/1385500696.db2.gz OSABHXDQEIBIBJ-MJGOQNOKSA-N 2 0 335.536 3.093 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001176165419 1385500708 /nfs/dbraw/zinc/50/07/08/1385500708.db2.gz KWCTVILLPNMQKQ-UYAOXDASSA-N 2 0 345.531 3.101 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192351 1385507046 /nfs/dbraw/zinc/50/70/46/1385507046.db2.gz ISQAFLNQERYKBW-INIZCTEOSA-N 2 0 348.535 3.462 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192376 1385507490 /nfs/dbraw/zinc/50/74/90/1385507490.db2.gz JACHQYKJEUPRQI-QGZVFWFLSA-N 2 0 348.535 3.462 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCCC[NH+](C)C ZINC001176231701 1385521405 /nfs/dbraw/zinc/52/14/05/1385521405.db2.gz VTNMOCYKJMPTAK-GOSISDBHSA-N 2 0 337.552 3.483 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1CC ZINC001176279970 1385536948 /nfs/dbraw/zinc/53/69/48/1385536948.db2.gz URMAUTWQLHAMCK-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP COCC[C@@H](c1ccccc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176280335 1385537571 /nfs/dbraw/zinc/53/75/71/1385537571.db2.gz AGYQLFXIYMMRKP-PXNSSMCTSA-N 2 0 325.456 3.370 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176317217 1385550096 /nfs/dbraw/zinc/55/00/96/1385550096.db2.gz DDOWTTCEGLPQBW-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001176564855 1385626371 /nfs/dbraw/zinc/62/63/71/1385626371.db2.gz SAGWSCMUKYGUAP-MOPGFXCFSA-N 2 0 345.531 3.020 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300971 1385645731 /nfs/dbraw/zinc/64/57/31/1385645731.db2.gz IJBSZAGMALDQBF-ZYHOBAKYSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)CCC1 ZINC001318337854 1385654502 /nfs/dbraw/zinc/65/45/02/1385654502.db2.gz IITUBVQYJYYBOF-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176753613 1385684251 /nfs/dbraw/zinc/68/42/51/1385684251.db2.gz IXJAYVYMSPQQCI-ZWKOTPCHSA-N 2 0 325.541 3.170 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001176754409 1385685158 /nfs/dbraw/zinc/68/51/58/1385685158.db2.gz UNUKCBOZXFEXSC-SFHVURJKSA-N 2 0 347.547 3.354 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001176759619 1385686860 /nfs/dbraw/zinc/68/68/60/1385686860.db2.gz LWYFGEVACWXTSD-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001318487948 1385720375 /nfs/dbraw/zinc/72/03/75/1385720375.db2.gz YEYVFGPATITGHD-VAMGGRTRSA-N 2 0 349.563 3.364 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001176844911 1385722107 /nfs/dbraw/zinc/72/21/07/1385722107.db2.gz ORIHPRGKSBJVJO-HDICACEKSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001176856779 1385725103 /nfs/dbraw/zinc/72/51/03/1385725103.db2.gz NRZAMTFIHDDBMX-KRVVSLAESA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001176856777 1385725130 /nfs/dbraw/zinc/72/51/30/1385725130.db2.gz NRZAMTFIHDDBMX-ACOFZUGVSA-N 2 0 343.515 3.059 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001176986517 1385764225 /nfs/dbraw/zinc/76/42/25/1385764225.db2.gz QFGYOTNZDZADRP-HXUWFJFHSA-N 2 0 345.531 3.109 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001176991411 1385765835 /nfs/dbraw/zinc/76/58/35/1385765835.db2.gz ATKISXPVWLHHDL-UXHICEINSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+][C@H](C)c2cccc(C)c2)CCCC1 ZINC001318664133 1385824028 /nfs/dbraw/zinc/82/40/28/1385824028.db2.gz JUOXHSPKSQHISN-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177335585 1385917456 /nfs/dbraw/zinc/91/74/56/1385917456.db2.gz HBGXVELRJJKNRT-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001177339316 1385919038 /nfs/dbraw/zinc/91/90/38/1385919038.db2.gz BVQBEOROVOPPFK-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177402804 1385944029 /nfs/dbraw/zinc/94/40/29/1385944029.db2.gz WLNSAHZPRBLODQ-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)C1 ZINC001177415580 1385949022 /nfs/dbraw/zinc/94/90/22/1385949022.db2.gz DBUTZEHPVKUXJA-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001177416226 1385949436 /nfs/dbraw/zinc/94/94/36/1385949436.db2.gz WPUUUPCFBNHHQM-ICSRJNTNSA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH+](CC)CC(=O)N(CCC[NH2+]CC[C@@H](C)F)CC1CCCC1 ZINC001177445634 1385959391 /nfs/dbraw/zinc/95/93/91/1385959391.db2.gz MYXPJVYWHCPKMD-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177456380 1385963072 /nfs/dbraw/zinc/96/30/72/1385963072.db2.gz STEFFQDAYSLVAT-IZZDOVSWSA-N 2 0 343.943 3.079 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)c1c[nH+]ccc1N(C)C ZINC001177463310 1385966029 /nfs/dbraw/zinc/96/60/29/1385966029.db2.gz YWPVQLJGQISUIA-UHFFFAOYSA-N 2 0 346.519 3.168 20 0 EGADRP C[NH+](C)CCCCC(=O)N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177467245 1385967288 /nfs/dbraw/zinc/96/72/88/1385967288.db2.gz XWBFVYRSAJTHCT-UHFFFAOYSA-N 2 0 343.531 3.076 20 0 EGADRP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177477839 1385971197 /nfs/dbraw/zinc/97/11/97/1385971197.db2.gz NGVUXMXRENKSQS-BBIZLLLXSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177481461 1385972596 /nfs/dbraw/zinc/97/25/96/1385972596.db2.gz YCCHUMGGANWLRD-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001178045518 1386114554 /nfs/dbraw/zinc/11/45/54/1386114554.db2.gz NDEWDOBKFCCSJV-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001178045675 1386116079 /nfs/dbraw/zinc/11/60/79/1386116079.db2.gz RSBUTLYUWIFOTR-WOJBJXKFSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C1CC1)[NH+](C)C ZINC001319563784 1386182770 /nfs/dbraw/zinc/18/27/70/1386182770.db2.gz XBOPCYWTSBVNPZ-OXQOHEQNSA-N 2 0 345.531 3.087 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178484069 1386232135 /nfs/dbraw/zinc/23/21/35/1386232135.db2.gz NSKMCWVKHQOXER-QZPVUJMKSA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178487018 1386232649 /nfs/dbraw/zinc/23/26/49/1386232649.db2.gz KKXMISGUUDIRDZ-UHFFFAOYSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC001319652671 1386235317 /nfs/dbraw/zinc/23/53/17/1386235317.db2.gz ZGDYZDPBMCZVNS-SFHVURJKSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@@H](C(=O)NC1(C[NH2+][C@H](C)c2cccc(C)c2)CCCC1)[NH+](C)C ZINC001698635754 1406281194 /nfs/dbraw/zinc/28/11/94/1406281194.db2.gz SUHCAOAEFMDZAU-MJGOQNOKSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)CC[N@@H+]1C ZINC001178521751 1386241082 /nfs/dbraw/zinc/24/10/82/1386241082.db2.gz CXVSZLZUXCZOBP-QZTJIDSGSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178692803 1386278817 /nfs/dbraw/zinc/27/88/17/1386278817.db2.gz BPNFJOHVVXLKLB-SECOEOQKSA-N 2 0 343.943 3.268 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693515 1386279525 /nfs/dbraw/zinc/27/95/25/1386279525.db2.gz UZDVBUHFLYKDHJ-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001178693462 1386279674 /nfs/dbraw/zinc/27/96/74/1386279674.db2.gz SGBYFZNRBPXPFS-SFHVURJKSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001178755527 1386295588 /nfs/dbraw/zinc/29/55/88/1386295588.db2.gz SWCGKDHRRZTSFH-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808703 1386312943 /nfs/dbraw/zinc/31/29/43/1386312943.db2.gz QYXWZIROLVSNPD-ONEGZZNKSA-N 2 0 349.563 3.485 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810347 1386313678 /nfs/dbraw/zinc/31/36/78/1386313678.db2.gz CUQPKDBKVKQLAR-MOPGFXCFSA-N 2 0 335.536 3.236 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178811410 1386314378 /nfs/dbraw/zinc/31/43/78/1386314378.db2.gz UYBQOKDTZPVHGA-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001178815701 1386315761 /nfs/dbraw/zinc/31/57/61/1386315761.db2.gz KKMWLOKNFIOEFZ-LJQANCHMSA-N 2 0 333.520 3.101 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178833069 1386322178 /nfs/dbraw/zinc/32/21/78/1386322178.db2.gz OUVHYWYIHQHQMA-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178891409 1386340547 /nfs/dbraw/zinc/34/05/47/1386340547.db2.gz RTXOKDUZNOUKSR-FHWLQOOXSA-N 2 0 337.552 3.265 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001178947366 1386358008 /nfs/dbraw/zinc/35/80/08/1386358008.db2.gz UCHIVEFWTGGZGA-UHFFFAOYSA-N 2 0 342.487 3.404 20 0 EGADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001319919738 1386391810 /nfs/dbraw/zinc/39/18/10/1386391810.db2.gz XBDKSFWRVJKHMX-BEFAXECRSA-N 2 0 349.494 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(C)C ZINC001319957627 1386418933 /nfs/dbraw/zinc/41/89/33/1386418933.db2.gz QZAVVAPYNJDMTF-WOJBJXKFSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179234474 1386428011 /nfs/dbraw/zinc/42/80/11/1386428011.db2.gz OYCIEJSUNMQLHC-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179402916 1386475866 /nfs/dbraw/zinc/47/58/66/1386475866.db2.gz GQWBTLICMDAXCO-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001179464090 1386488868 /nfs/dbraw/zinc/48/88/68/1386488868.db2.gz MGLVTQLGLVVARP-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179525482 1386506118 /nfs/dbraw/zinc/50/61/18/1386506118.db2.gz LKACODJADHWHJM-MBZOUJQSSA-N 2 0 337.552 3.432 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179580307 1386521531 /nfs/dbraw/zinc/52/15/31/1386521531.db2.gz DKFQQVASEQPPCK-GOSISDBHSA-N 2 0 335.536 3.237 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001179580662 1386522747 /nfs/dbraw/zinc/52/27/47/1386522747.db2.gz LSMLIWMLRJGVNG-MOPGFXCFSA-N 2 0 345.531 3.498 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179590703 1386525762 /nfs/dbraw/zinc/52/57/62/1386525762.db2.gz KZFUFVDEVPHVQK-IEBWSBKVSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001179655394 1386541972 /nfs/dbraw/zinc/54/19/72/1386541972.db2.gz XZAGODJYDIBCEC-UXHICEINSA-N 2 0 345.531 3.006 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001179746213 1386569886 /nfs/dbraw/zinc/56/98/86/1386569886.db2.gz QZCUWVFMYAZYRQ-ROUUACIJSA-N 2 0 343.531 3.264 20 0 EGADRP C[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)[NH+]1CCCCCC1 ZINC001179746068 1386569929 /nfs/dbraw/zinc/56/99/29/1386569929.db2.gz NMYPNNWJGKAKAR-MQNTZWLQSA-N 2 0 343.943 3.270 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccnc1 ZINC001320411695 1386602582 /nfs/dbraw/zinc/60/25/82/1386602582.db2.gz RBLUAARBTLYWLI-HXUWFJFHSA-N 2 0 338.499 3.464 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179852373 1386607344 /nfs/dbraw/zinc/60/73/44/1386607344.db2.gz LWXNGKGBNZJJDZ-HBFSDRIKSA-N 2 0 345.531 3.285 20 0 EGADRP CCc1ccc(C[NH2+]CCCCCCNC(=O)C[NH+](CC)CC)cc1 ZINC001179851151 1386607630 /nfs/dbraw/zinc/60/76/30/1386607630.db2.gz WNSNHLRYKJWONR-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179891924 1386620074 /nfs/dbraw/zinc/62/00/74/1386620074.db2.gz IXVIFDAFVLKEOZ-QGZVFWFLSA-N 2 0 325.541 3.031 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]CC=C(C)C)[C@@H]1C ZINC001179903202 1386623295 /nfs/dbraw/zinc/62/32/95/1386623295.db2.gz BUFDJDKTUSQRDZ-OALUTQOASA-N 2 0 337.552 3.434 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179964989 1386651082 /nfs/dbraw/zinc/65/10/82/1386651082.db2.gz QDSLLARGTZTPTJ-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001179989219 1386659517 /nfs/dbraw/zinc/65/95/17/1386659517.db2.gz VAUFZSYTOBRRGG-CEXWTWQISA-N 2 0 337.552 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180060497 1386683783 /nfs/dbraw/zinc/68/37/83/1386683783.db2.gz FHOWNWDZQOIENO-VOFKWLDRSA-N 2 0 337.552 3.341 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001180060866 1386683938 /nfs/dbraw/zinc/68/39/38/1386683938.db2.gz RWMURFISFSZSOV-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001180060591 1386684029 /nfs/dbraw/zinc/68/40/29/1386684029.db2.gz IUKXDDSXBHRNFR-KRWDZBQOSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001180065728 1386685308 /nfs/dbraw/zinc/68/53/08/1386685308.db2.gz ZUTFZEXVKSTYEA-RTBURBONSA-N 2 0 345.531 3.356 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CCC ZINC001180118128 1386702613 /nfs/dbraw/zinc/70/26/13/1386702613.db2.gz WOVPPZYGJOYULU-SREVYHEPSA-N 2 0 325.541 3.341 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001180124346 1386704640 /nfs/dbraw/zinc/70/46/40/1386704640.db2.gz VJSPAWBKFIKVJV-SFHVURJKSA-N 2 0 327.557 3.277 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)CC1 ZINC001180142379 1386711969 /nfs/dbraw/zinc/71/19/69/1386711969.db2.gz NYWYBLIAAXNHMC-RTBURBONSA-N 2 0 329.532 3.313 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180157009 1386717056 /nfs/dbraw/zinc/71/70/56/1386717056.db2.gz QFONJCWHPBOYBO-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180211540 1386734696 /nfs/dbraw/zinc/73/46/96/1386734696.db2.gz KUOCYLADKPWICV-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180294561 1386757903 /nfs/dbraw/zinc/75/79/03/1386757903.db2.gz MQBQRIYABLHZLS-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180352990 1386772261 /nfs/dbraw/zinc/77/22/61/1386772261.db2.gz XPBMKUFZUQEXQU-ASIGSXEYSA-N 2 0 337.552 3.482 20 0 EGADRP CCN1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC001181453628 1386996442 /nfs/dbraw/zinc/99/64/42/1386996442.db2.gz ALKBHKONCADRGB-OAQYLSRUSA-N 2 0 329.532 3.492 20 0 EGADRP C[C@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322245112 1387118252 /nfs/dbraw/zinc/11/82/52/1387118252.db2.gz TXONASAQLWWWOC-ADYSOMBNSA-N 2 0 345.531 3.114 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001322370928 1387173148 /nfs/dbraw/zinc/17/31/48/1387173148.db2.gz NJJGOQLEAMOMPY-WOJBJXKFSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001182614729 1387197206 /nfs/dbraw/zinc/19/72/06/1387197206.db2.gz OMSZETFMQWITID-LVCYWYKZSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)[nH]n1 ZINC001322600074 1387211521 /nfs/dbraw/zinc/21/15/21/1387211521.db2.gz HHIHKOHEQIDWIH-HOTGVXAUSA-N 2 0 326.488 3.486 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182814451 1387229291 /nfs/dbraw/zinc/22/92/91/1387229291.db2.gz WATCNFINXFUWSK-WSTZPKSXSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001329591577 1389171061 /nfs/dbraw/zinc/17/10/61/1389171061.db2.gz CKCKINPJUIUQHE-JXFKEZNVSA-N 2 0 341.499 3.117 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001329593045 1389172654 /nfs/dbraw/zinc/17/26/54/1389172654.db2.gz XLRGCGSHSYJLCX-JXFKEZNVSA-N 2 0 341.499 3.117 20 0 EGADRP Cc1cc(N2CCC([NH2+]C3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC001336982392 1389226983 /nfs/dbraw/zinc/22/69/83/1389226983.db2.gz QYKLCHFPBGVJKL-UHFFFAOYSA-N 2 0 325.456 3.281 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC001330007309 1389283922 /nfs/dbraw/zinc/28/39/22/1389283922.db2.gz CCYVEIRMNDNFOL-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP CCC1([NH+]2CCCCC2)CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC001330917066 1389564051 /nfs/dbraw/zinc/56/40/51/1389564051.db2.gz MZJCGIDVZDPRDA-UHFFFAOYSA-N 2 0 341.499 3.161 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)COc1cccc(Cl)c1 ZINC001339094671 1389896986 /nfs/dbraw/zinc/89/69/86/1389896986.db2.gz PWNHIWOISSUIQS-UHFFFAOYSA-N 2 0 342.786 3.247 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H](n2cncn2)C1 ZINC001339191687 1389936342 /nfs/dbraw/zinc/93/63/42/1389936342.db2.gz CHMBKTYKLMFBPM-ZKSQSEBUSA-N 2 0 345.535 3.395 20 0 EGADRP [NH3+]C1(CC(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CC1 ZINC001332136006 1390002431 /nfs/dbraw/zinc/00/24/31/1390002431.db2.gz PFNXBKOPIZTDEQ-UHFFFAOYSA-N 2 0 341.377 3.121 20 0 EGADRP CCOc1ccc(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC001332395116 1390104788 /nfs/dbraw/zinc/10/47/88/1390104788.db2.gz FDLUFIFGDYNMRI-UHFFFAOYSA-N 2 0 346.496 3.433 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC(C)(C)C[NH3+])cc1 ZINC001340034758 1390212074 /nfs/dbraw/zinc/21/20/74/1390212074.db2.gz XFOVKOCWJYTITA-MRXNPFEDSA-N 2 0 331.504 3.052 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C[C@@H]2C1 ZINC001333891393 1390431511 /nfs/dbraw/zinc/43/15/11/1390431511.db2.gz LRVURQFIGSUEFY-HDAAZOAOSA-N 2 0 344.499 3.016 20 0 EGADRP COc1ccc2[nH+]ccc(NC3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC001334125109 1390483020 /nfs/dbraw/zinc/48/30/20/1390483020.db2.gz DTAXFNBBXFOBMK-UHFFFAOYSA-N 2 0 348.450 3.137 20 0 EGADRP CC(=O)CCCCCCC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001341685900 1390517513 /nfs/dbraw/zinc/51/75/13/1390517513.db2.gz UKIIPFCNEPLEOV-UHFFFAOYSA-N 2 0 328.416 3.444 20 0 EGADRP COc1ccc2[nH+]ccc(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c2c1 ZINC001334337169 1390519979 /nfs/dbraw/zinc/51/99/79/1390519979.db2.gz RXCUMWWWFIJSGA-HRCADAONSA-N 2 0 325.456 3.410 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C2CCCC2)n1 ZINC001335582970 1390706197 /nfs/dbraw/zinc/70/61/97/1390706197.db2.gz OSCQVYGUPLGVOJ-ZHALLVOQSA-N 2 0 330.520 3.240 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001344430663 1390790958 /nfs/dbraw/zinc/79/09/58/1390790958.db2.gz YNCBAMOBYWFHBW-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001350338688 1391450152 /nfs/dbraw/zinc/45/01/52/1391450152.db2.gz UCEHSYJJMRAPJF-MRXNPFEDSA-N 2 0 334.479 3.380 20 0 EGADRP Cc1c(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)ccc2c[nH+]cn21 ZINC001351289342 1391621929 /nfs/dbraw/zinc/62/19/29/1391621929.db2.gz UZSBMAWUCGMGBR-SFHVURJKSA-N 2 0 348.450 3.166 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC001352036021 1391749272 /nfs/dbraw/zinc/74/92/72/1391749272.db2.gz WHFKKANTGDVCKR-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001353229576 1391966940 /nfs/dbraw/zinc/96/69/40/1391966940.db2.gz ANWKERLCUDNZMT-UHFFFAOYSA-N 2 0 345.409 3.211 20 0 EGADRP CC(C)CC[C@H](O)C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC001353275302 1391981357 /nfs/dbraw/zinc/98/13/57/1391981357.db2.gz YDOJYAVUQDQTFT-HKUYNNGSSA-N 2 0 346.515 3.361 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCC12CCC2)c1ccsc1 ZINC001353481237 1392020746 /nfs/dbraw/zinc/02/07/46/1392020746.db2.gz CLIJIGOBSHKSHL-IAGOWNOFSA-N 2 0 349.544 3.027 20 0 EGADRP CC1([NH+]2CCCC2)CCC(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC001354822397 1392171089 /nfs/dbraw/zinc/17/10/89/1392171089.db2.gz XYPGPWSWYKYDFB-MOMVYJMYSA-N 2 0 341.499 3.134 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001479503280 1392259333 /nfs/dbraw/zinc/25/93/33/1392259333.db2.gz NDHTXCBAJPHOJQ-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)(C)C)CC2)[NH+](C)C ZINC001479985574 1392518359 /nfs/dbraw/zinc/51/83/59/1392518359.db2.gz RLRJIWRXBWIIBT-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001480083200 1392573302 /nfs/dbraw/zinc/57/33/02/1392573302.db2.gz AFDQQLQYEWXAQM-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)CC(C)C)C2)ccc2c[nH+]cn21 ZINC001480145871 1392600757 /nfs/dbraw/zinc/60/07/57/1392600757.db2.gz YAXCGBKYANOWQR-XIRDDKMYSA-N 2 0 342.487 3.175 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)CCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001480793570 1392937076 /nfs/dbraw/zinc/93/70/76/1392937076.db2.gz GTDPPZICCLTCIT-GOSISDBHSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](CCC(=O)NCC[N@@H+](C)Cc1cccc(F)c1)C1CCCCC1 ZINC001480894729 1393003884 /nfs/dbraw/zinc/00/38/84/1393003884.db2.gz JEHBLVOYYKFFOC-UHFFFAOYSA-N 2 0 349.494 3.028 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480920479 1393020889 /nfs/dbraw/zinc/02/08/89/1393020889.db2.gz QXAFPLZWAPUZMQ-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480979120 1393063762 /nfs/dbraw/zinc/06/37/62/1393063762.db2.gz WRQPCRYUOSELFS-SFHVURJKSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](CC)Cc1cccc2ccccc21)[NH+](C)C ZINC001481012632 1393088674 /nfs/dbraw/zinc/08/86/74/1393088674.db2.gz RDGGBLUOHPACIY-FQEVSTJZSA-N 2 0 341.499 3.118 20 0 EGADRP CC[N@@H+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001481019529 1393095211 /nfs/dbraw/zinc/09/52/11/1393095211.db2.gz WFELMLDXFGTCEZ-XEDBTPMOSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001481333372 1393165546 /nfs/dbraw/zinc/16/55/46/1393165546.db2.gz CQCXSBBZLUTNNF-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001491299631 1394501429 /nfs/dbraw/zinc/50/14/29/1394501429.db2.gz HPVUDXCIZBNZKE-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+]C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CCCC[C@H]1C ZINC001481965285 1394627506 /nfs/dbraw/zinc/62/75/06/1394627506.db2.gz WKLNTJVAXFSJCA-QUCCMNQESA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc(C[NH+]2CCC(CCNC(=O)CCC[NH+](C)C)CC2)c1 ZINC001482045593 1394707222 /nfs/dbraw/zinc/70/72/22/1394707222.db2.gz DDYSQXYXPJONCH-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001484014720 1395187408 /nfs/dbraw/zinc/18/74/08/1395187408.db2.gz QEHFPUWKXHMZGB-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@@](C)(C[NH2+]CC3CCCCC3)C2)CC1 ZINC001484113315 1395258187 /nfs/dbraw/zinc/25/81/87/1395258187.db2.gz FVMCEXMLGILRCB-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001484716078 1395477293 /nfs/dbraw/zinc/47/72/93/1395477293.db2.gz CBUXBMAJVKDHFT-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001485264268 1395749025 /nfs/dbraw/zinc/74/90/25/1395749025.db2.gz UTNMFYUEWWUVRM-HKUYNNGSSA-N 2 0 347.547 3.470 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC001485303367 1395780594 /nfs/dbraw/zinc/78/05/94/1395780594.db2.gz QIFMUMSPLRLTAJ-INIZCTEOSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485942655 1396171384 /nfs/dbraw/zinc/17/13/84/1396171384.db2.gz RJIDANWBFIHXDM-GOSISDBHSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CCC[NH+]2CCCC2)cc1C ZINC001699004632 1406824982 /nfs/dbraw/zinc/82/49/82/1406824982.db2.gz WFSUIAVSXPDGBJ-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+][C@H](C)c2ccc(F)cc2)CCCC1)[NH+](C)C ZINC001495169154 1396521688 /nfs/dbraw/zinc/52/16/88/1396521688.db2.gz RDKQPMQIWYINHY-CRAIPNDOSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001495949456 1396575479 /nfs/dbraw/zinc/57/54/79/1396575479.db2.gz OHMMVCMPIKGLKS-AYAUWGRQSA-N 2 0 341.927 3.020 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001496154015 1396615477 /nfs/dbraw/zinc/61/54/77/1396615477.db2.gz LTFMGFINFKIHKD-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001497953673 1396887812 /nfs/dbraw/zinc/88/78/12/1396887812.db2.gz ZNBXTXDMNBJVIH-GOSISDBHSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCc2c[nH]cn2)CC1 ZINC001690023230 1404261615 /nfs/dbraw/zinc/26/16/15/1404261615.db2.gz JJQNUWHFRCFADN-INIZCTEOSA-N 2 0 340.471 3.026 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC2CCCC2)C2CC2)CC1 ZINC001690176242 1404374207 /nfs/dbraw/zinc/37/42/07/1404374207.db2.gz NZGRCHYXVZENHW-HXUWFJFHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001690458537 1404588865 /nfs/dbraw/zinc/58/88/65/1404588865.db2.gz DTKGMDMSVISDBS-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001690490811 1404604338 /nfs/dbraw/zinc/60/43/38/1404604338.db2.gz FKCDEFDFKAZCSM-RBUKOAKNSA-N 2 0 335.536 3.118 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1C ZINC001690575435 1404637097 /nfs/dbraw/zinc/63/70/97/1404637097.db2.gz ULIIFWHYROHRDM-GOSISDBHSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001690606000 1404649226 /nfs/dbraw/zinc/64/92/26/1404649226.db2.gz DIXUVWNIKVGHMW-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+][C@H](C)c1ccccc1 ZINC001690632441 1404665631 /nfs/dbraw/zinc/66/56/31/1404665631.db2.gz YUVTXPPDZHHJNM-IAGOWNOFSA-N 2 0 339.483 3.217 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCCC1 ZINC001691079361 1405014473 /nfs/dbraw/zinc/01/44/73/1405014473.db2.gz KFZCGFGAKCZBOC-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691506700 1405310209 /nfs/dbraw/zinc/31/02/09/1405310209.db2.gz VSFYPASJIGLKIX-MLYOOKFZSA-N 2 0 345.531 3.127 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)[NH+]1CCCCC1 ZINC001691758108 1405474799 /nfs/dbraw/zinc/47/47/99/1405474799.db2.gz SEVZPPPUBQMWNO-ZCFHBRKKSA-N 2 0 349.563 3.027 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001691855829 1405572589 /nfs/dbraw/zinc/57/25/89/1405572589.db2.gz BBEHBXROOMOKSV-LJQANCHMSA-N 2 0 337.552 3.362 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001698562644 1406163012 /nfs/dbraw/zinc/16/30/12/1406163012.db2.gz KQWJHJVOPIJSBZ-XLIONFOSSA-N 2 0 343.515 3.073 20 0 EGADRP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001698586421 1406204295 /nfs/dbraw/zinc/20/42/95/1406204295.db2.gz CMWXHAOLZULTAD-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732154204 1428397458 /nfs/dbraw/zinc/39/74/58/1428397458.db2.gz FTRPXMNXMXHCNL-QYZOEREBSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+][C@@H](CC)c2ccccc2)CCCC1)[NH+](C)C ZINC001732231820 1428478687 /nfs/dbraw/zinc/47/86/87/1428478687.db2.gz UZSFEFGWIWSFDS-RBUKOAKNSA-N 2 0 345.531 3.497 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC001732236836 1428482953 /nfs/dbraw/zinc/48/29/53/1428482953.db2.gz FJUJMVWIWBAZCP-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001732359597 1428547591 /nfs/dbraw/zinc/54/75/91/1428547591.db2.gz CPKQZYFUHOAKPV-SJLPKXTDSA-N 2 0 347.547 3.376 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732419583 1428573809 /nfs/dbraw/zinc/57/38/09/1428573809.db2.gz NWYSYHKSKBNAFO-QZTJIDSGSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001732442105 1428582724 /nfs/dbraw/zinc/58/27/24/1428582724.db2.gz CPGSMIUJVLJBCW-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001699190832 1412563470 /nfs/dbraw/zinc/56/34/70/1412563470.db2.gz WPBPHMLRTKBMLI-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CCCC2)cc1)[NH+](C)C ZINC001699428183 1412744480 /nfs/dbraw/zinc/74/44/80/1412744480.db2.gz UCSUEEHVJWFBKU-JXFKEZNVSA-N 2 0 345.531 3.279 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001699699477 1413111271 /nfs/dbraw/zinc/11/12/71/1413111271.db2.gz DOAVDXALVCZRDU-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001699853023 1413283031 /nfs/dbraw/zinc/28/30/31/1413283031.db2.gz GQTPCYITBJBIDR-OXQOHEQNSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001700101877 1413519816 /nfs/dbraw/zinc/51/98/16/1413519816.db2.gz VXHDVFIJCRVTKC-BJLQDIEVSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001700178941 1413589415 /nfs/dbraw/zinc/58/94/15/1413589415.db2.gz MDKJNHLHKPPJRA-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001700183794 1413600469 /nfs/dbraw/zinc/60/04/69/1413600469.db2.gz HCLHCDUZQKHRFS-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CN(CCC[N@H+](C)CC1CCC1)C(=O)c1sccc1C[NH+](C)C ZINC001700196479 1413638282 /nfs/dbraw/zinc/63/82/82/1413638282.db2.gz YTNFFFDBKKLFQX-UHFFFAOYSA-N 2 0 337.533 3.004 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001700361852 1413876451 /nfs/dbraw/zinc/87/64/51/1413876451.db2.gz HXTZOKORONRYBV-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001700363395 1413882265 /nfs/dbraw/zinc/88/22/65/1413882265.db2.gz JOSBUCXAINUZJQ-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001700459794 1414054743 /nfs/dbraw/zinc/05/47/43/1414054743.db2.gz DZOSKUFROKWGHT-AEFFLSMTSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)c1ccccc1C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001700546290 1414214876 /nfs/dbraw/zinc/21/48/76/1414214876.db2.gz UFYSQSJCDFNRGC-QGZVFWFLSA-N 2 0 345.531 3.088 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001700777035 1414457727 /nfs/dbraw/zinc/45/77/27/1414457727.db2.gz CINDPNWJYGEZSX-RTBURBONSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[NH2+]C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001733002741 1429124214 /nfs/dbraw/zinc/12/42/14/1429124214.db2.gz BWPBWORYXNFWSB-CABCVRRESA-N 2 0 330.476 3.033 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001733044291 1429176100 /nfs/dbraw/zinc/17/61/00/1429176100.db2.gz GTNHVIDXGYTONJ-QFBILLFUSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001707447354 1417351051 /nfs/dbraw/zinc/35/10/51/1417351051.db2.gz QSVPJBZKRCSYGD-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713060740 1417616459 /nfs/dbraw/zinc/61/64/59/1417616459.db2.gz IWCGLVQDMVTDGY-XCJDPYLSSA-N 2 0 347.547 3.330 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713061129 1417617443 /nfs/dbraw/zinc/61/74/43/1417617443.db2.gz SQPYAUFPNQIZFZ-QWNKOJSDSA-N 2 0 335.536 3.188 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001713293107 1417920899 /nfs/dbraw/zinc/92/08/99/1417920899.db2.gz UEDPISZRWBHDIZ-WZUFQYTHSA-N 2 0 341.927 3.022 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001713328404 1417953357 /nfs/dbraw/zinc/95/33/57/1417953357.db2.gz XQXIRSUVYXOJCQ-ZWKOTPCHSA-N 2 0 345.531 3.354 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001713381773 1417992194 /nfs/dbraw/zinc/99/21/94/1417992194.db2.gz MIUCVRVHXCAOAY-UXHICEINSA-N 2 0 349.563 3.460 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713396625 1418013530 /nfs/dbraw/zinc/01/35/30/1418013530.db2.gz FLZVUJJMNFOUQM-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001713465510 1418127393 /nfs/dbraw/zinc/12/73/93/1418127393.db2.gz VVLRBLMSXFQDJT-KRWDZBQOSA-N 2 0 345.531 3.261 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001713656989 1418416577 /nfs/dbraw/zinc/41/65/77/1418416577.db2.gz SEFVDNBSJZXCMW-WMLDXEAASA-N 2 0 339.911 3.035 20 0 EGADRP O=C(NC[C@H]([NH2+]CCC1CC1)c1ccccc1)c1cc2c[nH]ccc-2n1 ZINC001713701964 1418460189 /nfs/dbraw/zinc/46/01/89/1418460189.db2.gz ZOLSDOFUTMKQSJ-FQEVSTJZSA-N 2 0 348.450 3.424 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001713737248 1418533198 /nfs/dbraw/zinc/53/31/98/1418533198.db2.gz BPXHARCZEPTOPA-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713793424 1418612768 /nfs/dbraw/zinc/61/27/68/1418612768.db2.gz GFYUIGQCRPBIFH-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001713875405 1418671907 /nfs/dbraw/zinc/67/19/07/1418671907.db2.gz GBDJEBGOEWUVMJ-LJQANCHMSA-N 2 0 349.563 3.029 20 0 EGADRP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001714004390 1418783339 /nfs/dbraw/zinc/78/33/39/1418783339.db2.gz RMBOGEARAVPURH-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccc(C[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCC2)c(C)c1 ZINC001714140209 1418942854 /nfs/dbraw/zinc/94/28/54/1418942854.db2.gz BFQRGYCEJLBOFL-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001714145711 1418949608 /nfs/dbraw/zinc/94/96/08/1418949608.db2.gz RFMOSTVUPUEBJZ-RTBURBONSA-N 2 0 346.519 3.309 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001714149062 1418955365 /nfs/dbraw/zinc/95/53/65/1418955365.db2.gz CEUKJTOOBAWWKC-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001714433854 1419166378 /nfs/dbraw/zinc/16/63/78/1419166378.db2.gz HSONPCQYNPYLLK-MOPGFXCFSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001714672278 1419462781 /nfs/dbraw/zinc/46/27/81/1419462781.db2.gz ZQZLONOHMSBQLZ-WMZOPIPTSA-N 2 0 339.568 3.226 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001714728423 1419485678 /nfs/dbraw/zinc/48/56/78/1419485678.db2.gz UIHSNYVBFYNQMD-LPHOPBHVSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccccc1C[N@@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714912799 1419661209 /nfs/dbraw/zinc/66/12/09/1419661209.db2.gz PUXLQTNTDPOUOG-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]Cc1ccccc1 ZINC001715072174 1419807295 /nfs/dbraw/zinc/80/72/95/1419807295.db2.gz SRGIWTISZDSCPR-IBGZPJMESA-N 2 0 345.531 3.183 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC001733239833 1429382024 /nfs/dbraw/zinc/38/20/24/1429382024.db2.gz BLFXFVFMDDWOHN-ABHNRTSZSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+][C@@H](C)c1ccccc1 ZINC001715238543 1419968431 /nfs/dbraw/zinc/96/84/31/1419968431.db2.gz ZQWIFULQNLHWAH-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001716424791 1420651904 /nfs/dbraw/zinc/65/19/04/1420651904.db2.gz UFICKCQLVRLIJL-QGZVFWFLSA-N 2 0 343.515 3.034 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716507345 1420738357 /nfs/dbraw/zinc/73/83/57/1420738357.db2.gz CKWKLEAQOYQPAM-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC1CC1)C1CCCCCC1 ZINC001733275341 1429438603 /nfs/dbraw/zinc/43/86/03/1429438603.db2.gz GJFXLAVSIWTUEU-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001716662915 1420816403 /nfs/dbraw/zinc/81/64/03/1420816403.db2.gz OUYCIFXZTWIXCB-MOPGFXCFSA-N 2 0 345.531 3.306 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001716672291 1420828823 /nfs/dbraw/zinc/82/88/23/1420828823.db2.gz ZIFAWVNCWIRVPC-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001716877648 1421002931 /nfs/dbraw/zinc/00/29/31/1421002931.db2.gz FEAUGNGAEXNTEM-UZLBHIALSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC[NH2+]C(C)C)Cc2ccccc2)C1 ZINC001717007380 1421075294 /nfs/dbraw/zinc/07/52/94/1421075294.db2.gz ZBTRWUKVFYXBJH-FQEVSTJZSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1cccc(F)c1 ZINC001717145255 1421137971 /nfs/dbraw/zinc/13/79/71/1421137971.db2.gz UPGFSTBWUVAKDF-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1)C1CCC1 ZINC001717151772 1421142362 /nfs/dbraw/zinc/14/23/62/1421142362.db2.gz BNYIWAAAZLKISV-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001717338916 1421276692 /nfs/dbraw/zinc/27/66/92/1421276692.db2.gz FJEHZTGAHLANCT-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CC1(C)C)[NH+](C)C ZINC001717585852 1421513383 /nfs/dbraw/zinc/51/33/83/1421513383.db2.gz YZHIUXYJNYJAAS-ROUUACIJSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)cs1 ZINC001717852712 1421664398 /nfs/dbraw/zinc/66/43/98/1421664398.db2.gz DTUTWBGCNCPGLM-CRAIPNDOSA-N 2 0 349.544 3.010 20 0 EGADRP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)cs1 ZINC001717852717 1421664493 /nfs/dbraw/zinc/66/44/93/1421664493.db2.gz DTUTWBGCNCPGLM-QAPCUYQASA-N 2 0 349.544 3.010 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2)[C@H]1C ZINC001717860908 1421673806 /nfs/dbraw/zinc/67/38/06/1421673806.db2.gz RFSRLIABEGBGGL-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001733353058 1429533662 /nfs/dbraw/zinc/53/36/62/1429533662.db2.gz YTLWESGUASWXIV-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724543033 1424903253 /nfs/dbraw/zinc/90/32/53/1424903253.db2.gz DUIJKAGOEFPFFD-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CN(CCC[N@H+](C)CCC1CC1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001724851598 1425215429 /nfs/dbraw/zinc/21/54/29/1425215429.db2.gz NLHZCMUZPKFUSA-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001725003205 1425414977 /nfs/dbraw/zinc/41/49/77/1425414977.db2.gz OLOZLTQJONPWLJ-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001725006417 1425420145 /nfs/dbraw/zinc/42/01/45/1425420145.db2.gz CGLRXXVRRIMSHO-INIZCTEOSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001725025617 1425443637 /nfs/dbraw/zinc/44/36/37/1425443637.db2.gz HJEFUTMIAXVGAB-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001725045613 1425475664 /nfs/dbraw/zinc/47/56/64/1425475664.db2.gz XNGKNBBVJZNMFA-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725056198 1425493032 /nfs/dbraw/zinc/49/30/32/1425493032.db2.gz RYPRFXRBMXWFFX-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP CCc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725179264 1425701598 /nfs/dbraw/zinc/70/15/98/1425701598.db2.gz HHBQSDJXAUZUQV-KRWDZBQOSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001725582113 1426237551 /nfs/dbraw/zinc/23/75/51/1426237551.db2.gz CLODJJJHBYOCSS-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001725607548 1426264893 /nfs/dbraw/zinc/26/48/93/1426264893.db2.gz PLRFPUHIPDWWQL-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001731506940 1427494737 /nfs/dbraw/zinc/49/47/37/1427494737.db2.gz NHEAXWJSSTWGRH-FQEVSTJZSA-N 2 0 349.563 3.271 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001731523648 1427512272 /nfs/dbraw/zinc/51/22/72/1427512272.db2.gz SQMGSZWZTTWTQJ-GOSISDBHSA-N 2 0 339.568 3.229 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCCCC1 ZINC001731773275 1427887927 /nfs/dbraw/zinc/88/79/27/1427887927.db2.gz VCWSWGKFNLVVEZ-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CCCc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2CC)cc1 ZINC001731796239 1427949407 /nfs/dbraw/zinc/94/94/07/1427949407.db2.gz XHLDQEABSKDFBT-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCCc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2CC)cc1 ZINC001731796238 1427950290 /nfs/dbraw/zinc/95/02/90/1427950290.db2.gz XHLDQEABSKDFBT-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1cccc(F)c1 ZINC001731864193 1428108028 /nfs/dbraw/zinc/10/80/28/1428108028.db2.gz GYJWVAMLCZKXMT-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001733902345 1437720623 /nfs/dbraw/zinc/72/06/23/1437720623.db2.gz RLUIUOAMPXRFEU-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734017350 1437807386 /nfs/dbraw/zinc/80/73/86/1437807386.db2.gz JFCHDQGHGYYTKA-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001734422925 1438090637 /nfs/dbraw/zinc/09/06/37/1438090637.db2.gz KFTPFQVTFPAJMS-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)cs1 ZINC001734570923 1438165068 /nfs/dbraw/zinc/16/50/68/1438165068.db2.gz RKYGHCQTANQWGM-MRXNPFEDSA-N 2 0 339.549 3.019 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001752147609 1440146495 /nfs/dbraw/zinc/14/64/95/1440146495.db2.gz VPIAJHMUDKFTAI-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001752160032 1440148661 /nfs/dbraw/zinc/14/86/61/1440148661.db2.gz XHHKLPPKQHKRER-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001752160136 1440148698 /nfs/dbraw/zinc/14/86/98/1440148698.db2.gz YKYPWSKESYIJSR-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(C)cc1 ZINC001752181765 1440151159 /nfs/dbraw/zinc/15/11/59/1440151159.db2.gz KHSZGTYGYATKDQ-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001752303551 1440168273 /nfs/dbraw/zinc/16/82/73/1440168273.db2.gz ULICXNCYKPBGTQ-OVKVCFKUSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001752310517 1440170065 /nfs/dbraw/zinc/17/00/65/1440170065.db2.gz PQLCMSCQOHEEHC-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001752526437 1440192963 /nfs/dbraw/zinc/19/29/63/1440192963.db2.gz UVROEUNQDTUWHU-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001752698755 1440201517 /nfs/dbraw/zinc/20/15/17/1440201517.db2.gz QNGWGGIXWFQPEV-IHWFROFDSA-N 2 0 343.515 3.030 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CCC3CCCC3)CC[C@H]21 ZINC001752709155 1440203186 /nfs/dbraw/zinc/20/31/86/1440203186.db2.gz ZDECMHWDZDLTIZ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001752809551 1440216352 /nfs/dbraw/zinc/21/63/52/1440216352.db2.gz GPWDWOFATNJCMU-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1CCC1=CCCCC1 ZINC001752820075 1440220046 /nfs/dbraw/zinc/22/00/46/1440220046.db2.gz IXAPYAMCYFICRL-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001752822345 1440221350 /nfs/dbraw/zinc/22/13/50/1440221350.db2.gz FJYNCUFZSPHJOH-PRPIBZDOSA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752825207 1440223277 /nfs/dbraw/zinc/22/32/77/1440223277.db2.gz NHQNHKOTLOVNSQ-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001752828065 1440224399 /nfs/dbraw/zinc/22/43/99/1440224399.db2.gz YTPGPKCFLQXHHT-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001752850811 1440233522 /nfs/dbraw/zinc/23/35/22/1440233522.db2.gz NACHSDOIBPZHKY-UHFFFAOYSA-N 2 0 340.471 3.240 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001752939254 1440250781 /nfs/dbraw/zinc/25/07/81/1440250781.db2.gz YGDLFCFBOAJOLD-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001752993115 1440260325 /nfs/dbraw/zinc/26/03/25/1440260325.db2.gz ARIIBEDFYXEFRC-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001753020306 1440269731 /nfs/dbraw/zinc/26/97/31/1440269731.db2.gz JHTCNRNLCPGONE-IAGOWNOFSA-N 2 0 345.531 3.061 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC001753020181 1440269781 /nfs/dbraw/zinc/26/97/81/1440269781.db2.gz FDXHLKLRPLWMGR-HUUCEWRRSA-N 2 0 339.911 3.226 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753032638 1440273400 /nfs/dbraw/zinc/27/34/00/1440273400.db2.gz UEBVIJXTGJNANI-SFHVURJKSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001753039911 1440275885 /nfs/dbraw/zinc/27/58/85/1440275885.db2.gz MQVSEXZQHWAHQK-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)CC1=CCCCC1 ZINC001753086146 1440296418 /nfs/dbraw/zinc/29/64/18/1440296418.db2.gz GAGLHDAQOHVNOW-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1cc(C)ccc1C ZINC001753086620 1440296449 /nfs/dbraw/zinc/29/64/49/1440296449.db2.gz AEIKOJIDZXUBNG-GOSISDBHSA-N 2 0 345.531 3.144 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001753136350 1440318856 /nfs/dbraw/zinc/31/88/56/1440318856.db2.gz UIIQCILDLAYVJF-PMACEKPBSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001753209108 1440339105 /nfs/dbraw/zinc/33/91/05/1440339105.db2.gz ZTSPAHMONSCRPB-VQIMIIECSA-N 2 0 349.494 3.055 20 0 EGADRP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001753314525 1440358501 /nfs/dbraw/zinc/35/85/01/1440358501.db2.gz HGZQORDUZAYSBI-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753319123 1440361922 /nfs/dbraw/zinc/36/19/22/1440361922.db2.gz ASYVZRMRPBIHOU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001753325509 1440366381 /nfs/dbraw/zinc/36/63/81/1440366381.db2.gz BPRZWMGZJMRERU-ZWKOTPCHSA-N 2 0 339.568 3.323 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753328458 1440367830 /nfs/dbraw/zinc/36/78/30/1440367830.db2.gz TWNSNEOXAHSJNY-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753337258 1440373056 /nfs/dbraw/zinc/37/30/56/1440373056.db2.gz JYYISOHGATTZAO-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753350452 1440377686 /nfs/dbraw/zinc/37/76/86/1440377686.db2.gz JQWHLPCVJMBCAK-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444545 1440403084 /nfs/dbraw/zinc/40/30/84/1440403084.db2.gz SWJBCAOAYKQYGM-IEBWSBKVSA-N 2 0 345.531 3.258 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(C)cc2)C1 ZINC001753485436 1440417688 /nfs/dbraw/zinc/41/76/88/1440417688.db2.gz XSTMSCSWBBXGLQ-WOJBJXKFSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001753490784 1440419419 /nfs/dbraw/zinc/41/94/19/1440419419.db2.gz FDXRXLYQCHTXLS-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H](C(=O)NC1(C[NH2+]CCC2CC2)CCCC1)[NH+]1CCCCCC1 ZINC001753508778 1440425253 /nfs/dbraw/zinc/42/52/53/1440425253.db2.gz BVJQFOQZDXBAOT-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC001753512040 1440426273 /nfs/dbraw/zinc/42/62/73/1440426273.db2.gz RYMZTCDOGGPBBH-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH2+]C[C@]1(NC(=O)c2ccc(C[NH+](CC)CC)o2)CCCC[C@@H]1C ZINC001753538047 1440433103 /nfs/dbraw/zinc/43/31/03/1440433103.db2.gz VWAWSCUIYBDTRD-OXJNMPFZSA-N 2 0 349.519 3.410 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001753584806 1440441044 /nfs/dbraw/zinc/44/10/44/1440441044.db2.gz JWNIYIJYXQQOIL-FCGDIQPGSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001753587524 1440441757 /nfs/dbraw/zinc/44/17/57/1440441757.db2.gz HSCOXKSZWGRDGU-NSISKUIASA-N 2 0 345.531 3.425 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001753598800 1440445704 /nfs/dbraw/zinc/44/57/04/1440445704.db2.gz SIBSOKICBHILEG-PLNGDYQASA-N 2 0 349.563 3.293 20 0 EGADRP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001753673209 1440462794 /nfs/dbraw/zinc/46/27/94/1440462794.db2.gz BEGDBOFBNBADJU-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CCCC2)C1 ZINC001753679609 1440464273 /nfs/dbraw/zinc/46/42/73/1440464273.db2.gz WMKHKBMUUDPORI-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001753695593 1440467419 /nfs/dbraw/zinc/46/74/19/1440467419.db2.gz SURIIWRJYZDITE-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001753710833 1440470565 /nfs/dbraw/zinc/47/05/65/1440470565.db2.gz IUUOMMKALLOTDT-MSOLQXFVSA-N 2 0 345.531 3.143 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001753749086 1440482049 /nfs/dbraw/zinc/48/20/49/1440482049.db2.gz ZWCZZXKWUMUXBI-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cccc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001753787513 1440488364 /nfs/dbraw/zinc/48/83/64/1440488364.db2.gz GEWZAENVHWGKJR-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753796443 1440489951 /nfs/dbraw/zinc/48/99/51/1440489951.db2.gz KPXYBGROUXNREW-LSLCWXNRSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001753809339 1440492381 /nfs/dbraw/zinc/49/23/81/1440492381.db2.gz LVWSFLGROXXTKQ-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753814969 1440493506 /nfs/dbraw/zinc/49/35/06/1440493506.db2.gz HWDFPKLRQDGPOW-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754045336 1440535129 /nfs/dbraw/zinc/53/51/29/1440535129.db2.gz MNYNZHVRXFMZNM-UHFFFAOYSA-N 2 0 349.494 3.028 20 0 EGADRP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754070732 1440538112 /nfs/dbraw/zinc/53/81/12/1440538112.db2.gz NFDLYPSJFKEDLR-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC001754122266 1440542878 /nfs/dbraw/zinc/54/28/78/1440542878.db2.gz ZBUKRMXKGRMJTR-INUTWKSMSA-N 2 0 349.906 3.003 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)sc1C ZINC001754131276 1440543685 /nfs/dbraw/zinc/54/36/85/1440543685.db2.gz ZCHMUJMADQTRBL-DUMMIQTOSA-N 2 0 349.544 3.001 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001754191449 1440548964 /nfs/dbraw/zinc/54/89/64/1440548964.db2.gz MCLVUQZQXMRDCH-ZEVQVBBLSA-N 2 0 343.515 3.130 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CCC2CCCCC2)C1 ZINC001754195701 1440549580 /nfs/dbraw/zinc/54/95/80/1440549580.db2.gz XBTPMVMUJCWBPB-NHQAVIFJSA-N 2 0 349.563 3.339 20 0 EGADRP CC[C@@H]([NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001754205708 1440550525 /nfs/dbraw/zinc/55/05/25/1440550525.db2.gz AJXDJXASLYNWNE-OAJJDEHYSA-N 2 0 349.906 3.149 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001754209109 1440551077 /nfs/dbraw/zinc/55/10/77/1440551077.db2.gz DTDWIPXCHLKBKU-PHWHVTFISA-N 2 0 343.515 3.194 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001754213369 1440551420 /nfs/dbraw/zinc/55/14/20/1440551420.db2.gz LEPZQKXRTVFXLV-IHHMQQGQSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754270846 1440561541 /nfs/dbraw/zinc/56/15/41/1440561541.db2.gz RRQCZVFAARHGMN-LPHOPBHVSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001754313474 1440574334 /nfs/dbraw/zinc/57/43/34/1440574334.db2.gz WVWXZTRWPKXICV-KXBFYZLASA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1=CCCCC1 ZINC001754314059 1440574546 /nfs/dbraw/zinc/57/45/46/1440574546.db2.gz JRQRNFNFAZJIIO-HKUYNNGSSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001754348706 1440590311 /nfs/dbraw/zinc/59/03/11/1440590311.db2.gz MGEYYCKYPNNSSD-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP CCCc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001754379345 1440593290 /nfs/dbraw/zinc/59/32/90/1440593290.db2.gz QZJWSJQUZLYSLF-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001754445200 1440599811 /nfs/dbraw/zinc/59/98/11/1440599811.db2.gz PKLCUBFXWKWMLJ-LJQANCHMSA-N 2 0 342.487 3.177 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001754470814 1440605313 /nfs/dbraw/zinc/60/53/13/1440605313.db2.gz QZSLUFBBDYWPPR-WOJBJXKFSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001754493310 1440610941 /nfs/dbraw/zinc/61/09/41/1440610941.db2.gz UTILPSCVYVPJCG-VQIMIIECSA-N 2 0 331.504 3.013 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1)c1ccccc1Cl ZINC001754515964 1440618519 /nfs/dbraw/zinc/61/85/19/1440618519.db2.gz IXOTYRDZJJUOLC-CQSZACIVSA-N 2 0 349.906 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001754523040 1440620177 /nfs/dbraw/zinc/62/01/77/1440620177.db2.gz HYERBVWXIRWWAX-UHFFFAOYSA-N 2 0 345.531 3.064 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001754540247 1440625903 /nfs/dbraw/zinc/62/59/03/1440625903.db2.gz XPQFZNTXKLYRIN-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001754561286 1440633698 /nfs/dbraw/zinc/63/36/98/1440633698.db2.gz OIKDMTMVCZJRCC-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001754598647 1440642026 /nfs/dbraw/zinc/64/20/26/1440642026.db2.gz KHWPRCSPSXDLEG-IRXDYDNUSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C[C@H]1C ZINC001754601954 1440642627 /nfs/dbraw/zinc/64/26/27/1440642627.db2.gz WWHIIGKZJVGZFE-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001754605058 1440643169 /nfs/dbraw/zinc/64/31/69/1440643169.db2.gz VSVMKFRAPDYBQH-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001754619353 1440645032 /nfs/dbraw/zinc/64/50/32/1440645032.db2.gz XNOISDZADXPUKO-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C(C)C ZINC001754620221 1440645163 /nfs/dbraw/zinc/64/51/63/1440645163.db2.gz OVRXVBLYGWHTDN-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)=CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001754653479 1440652805 /nfs/dbraw/zinc/65/28/05/1440652805.db2.gz ATDCBTOTYURSJM-FQEVSTJZSA-N 2 0 349.563 3.338 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CCCC2)CC1 ZINC001754654441 1440653032 /nfs/dbraw/zinc/65/30/32/1440653032.db2.gz OSDIPRDIZJRQDD-FQEVSTJZSA-N 2 0 349.563 3.173 20 0 EGADRP CC1CC(C[NH2+]C[C@@H](NC(=O)CC[NH+]2CCCCC2)C2CCCC2)C1 ZINC001754655608 1440653430 /nfs/dbraw/zinc/65/34/30/1440653430.db2.gz DVLWTAAFZXGQQH-AFMYVXGZSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1(C)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001754721265 1440673291 /nfs/dbraw/zinc/67/32/91/1440673291.db2.gz HVMGUCHLCHGKRU-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CCC2=CCCCC2)C1 ZINC001754734678 1440681848 /nfs/dbraw/zinc/68/18/48/1440681848.db2.gz WQPGISPAIYPWEI-OAQYLSRUSA-N 2 0 349.563 3.437 20 0 EGADRP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754796648 1440689646 /nfs/dbraw/zinc/68/96/46/1440689646.db2.gz FFLYXLVNWORJDG-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001754807197 1440691372 /nfs/dbraw/zinc/69/13/72/1440691372.db2.gz MODOUWGCJCDONG-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1)CC(C)(C)C ZINC001754830840 1440695053 /nfs/dbraw/zinc/69/50/53/1440695053.db2.gz FGNLEAHYTMRLDQ-REPLKXPHSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001754873472 1440706024 /nfs/dbraw/zinc/70/60/24/1440706024.db2.gz KRRPDJFUYUWNDG-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001754916251 1440708677 /nfs/dbraw/zinc/70/86/77/1440708677.db2.gz RVSVUPLGTHMVBS-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754919722 1440709179 /nfs/dbraw/zinc/70/91/79/1440709179.db2.gz VZISHMNREJWGKC-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001754950989 1440714912 /nfs/dbraw/zinc/71/49/12/1440714912.db2.gz FQCNFMFCXSPSPB-QGZVFWFLSA-N 2 0 345.531 3.485 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(CC)c2)CC1 ZINC001755030730 1440731289 /nfs/dbraw/zinc/73/12/89/1440731289.db2.gz GKQKTWUHOUDMLY-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+](CCC3CC3)C2)C1 ZINC001755048081 1440742592 /nfs/dbraw/zinc/74/25/92/1440742592.db2.gz UANPDZPSGTXCPJ-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[NH2+]C1(CC)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001755072978 1440747212 /nfs/dbraw/zinc/74/72/12/1440747212.db2.gz ASSWSGGXSVVYIH-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@H+](C(C)C)C2)[NH+](CC)CC ZINC001755102121 1440753062 /nfs/dbraw/zinc/75/30/62/1440753062.db2.gz IONXEHDBMFVIAM-IBGZPJMESA-N 2 0 331.504 3.147 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001755111557 1440754274 /nfs/dbraw/zinc/75/42/74/1440754274.db2.gz HMHWQMAUEIDAFP-WMZOPIPTSA-N 2 0 335.536 3.042 20 0 EGADRP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001755129043 1440756690 /nfs/dbraw/zinc/75/66/90/1440756690.db2.gz AIPFLRGTZLSMNE-MJRGOJFPSA-N 2 0 335.536 3.188 20 0 EGADRP CCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755136277 1440758286 /nfs/dbraw/zinc/75/82/86/1440758286.db2.gz SJTSKYNJZNHBRY-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccc(C[NH+]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C)cc1 ZINC001755167209 1440767572 /nfs/dbraw/zinc/76/75/72/1440767572.db2.gz LRDITSXRDUJUJC-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001755204387 1440781841 /nfs/dbraw/zinc/78/18/41/1440781841.db2.gz JQHLBNSVPCQTGQ-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001755248348 1440791170 /nfs/dbraw/zinc/79/11/70/1440791170.db2.gz IQEWKVQTGWUBQR-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001755276598 1440799303 /nfs/dbraw/zinc/79/93/03/1440799303.db2.gz OHGUOCLXFGLUNT-KKXNLOMOSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCC1=CCCCC1 ZINC001755314044 1440814778 /nfs/dbraw/zinc/81/47/78/1440814778.db2.gz RGAFHFNRXFITCA-LNLFQRSKSA-N 2 0 335.536 3.044 20 0 EGADRP CCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001755327668 1440822644 /nfs/dbraw/zinc/82/26/44/1440822644.db2.gz JOJJTJRTXOHIHH-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[NH2+][C@@H](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755351636 1440827923 /nfs/dbraw/zinc/82/79/23/1440827923.db2.gz XLDMPWRXEIDHJP-ROUUACIJSA-N 2 0 325.541 3.122 20 0 EGADRP CCCC[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755357543 1440830328 /nfs/dbraw/zinc/83/03/28/1440830328.db2.gz GBIMWOTXIPVHQV-RTBURBONSA-N 2 0 349.494 3.075 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001755367323 1440835431 /nfs/dbraw/zinc/83/54/31/1440835431.db2.gz FSMXNBKOEVLOTE-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C/c1ccccc1 ZINC001755367884 1440835759 /nfs/dbraw/zinc/83/57/59/1440835759.db2.gz JZXBFVNRGVCKPO-RGFVMQALSA-N 2 0 343.515 3.012 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755413231 1440847425 /nfs/dbraw/zinc/84/74/25/1440847425.db2.gz VMWKNUGTCPPGCR-XSAZBNQGSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC3=CCCCC3)C[C@@H]2C1 ZINC001755451427 1440853743 /nfs/dbraw/zinc/85/37/43/1440853743.db2.gz FZKUJYLTYYBQHW-SLFFLAALSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001755473595 1440859155 /nfs/dbraw/zinc/85/91/55/1440859155.db2.gz SXQOJUWBQJCLBJ-VAMGGRTRSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2ccccc2C)CC[N@@H+]1C ZINC001755499076 1440862529 /nfs/dbraw/zinc/86/25/29/1440862529.db2.gz UHXIUZBQFZXMDW-YZGWKJHDSA-N 2 0 345.531 3.100 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001755573483 1440877461 /nfs/dbraw/zinc/87/74/61/1440877461.db2.gz RVTLASIOESKFJQ-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001755573482 1440877486 /nfs/dbraw/zinc/87/74/86/1440877486.db2.gz RVTLASIOESKFJQ-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP Cc1c(C(=O)N(C)C[C@H](C)[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001755595151 1440882466 /nfs/dbraw/zinc/88/24/66/1440882466.db2.gz ZMDGEQYSKDMMFY-HNNXBMFYSA-N 2 0 340.471 3.193 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001755693819 1440897329 /nfs/dbraw/zinc/89/73/29/1440897329.db2.gz RSNWTJTUZSTOIE-AEFFLSMTSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001755693822 1440897415 /nfs/dbraw/zinc/89/74/15/1440897415.db2.gz RSNWTJTUZSTOIE-WMZOPIPTSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCCC1)CC2 ZINC001755704923 1440902050 /nfs/dbraw/zinc/90/20/50/1440902050.db2.gz RWMDPECDRFDBNY-AZUAARDMSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755712179 1440903904 /nfs/dbraw/zinc/90/39/04/1440903904.db2.gz KWWOQPZXTNTPRR-SLFFLAALSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755712519 1440904078 /nfs/dbraw/zinc/90/40/78/1440904078.db2.gz MSVBOWSPKFDTKC-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCC3)C2)CCCCC1 ZINC001755739093 1440911438 /nfs/dbraw/zinc/91/14/38/1440911438.db2.gz GTWLHCGBMKCWED-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)N(CC[N@H+](C)CCC1=CCCCC1)C(=O)C[NH+]1CCCC1 ZINC001755815730 1440923497 /nfs/dbraw/zinc/92/34/97/1440923497.db2.gz TXOXMWBHYUYKRR-UHFFFAOYSA-N 2 0 335.536 3.142 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C)c1ccccc1 ZINC001755833742 1440929536 /nfs/dbraw/zinc/92/95/36/1440929536.db2.gz OWVXMRUJRWTPDE-QZTJIDSGSA-N 2 0 342.487 3.224 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001755862599 1440936964 /nfs/dbraw/zinc/93/69/64/1440936964.db2.gz QSALEZONNLAEIW-MHJFOBGBSA-N 2 0 349.563 3.409 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)nc1 ZINC001164619558 719124523 /nfs/dbraw/zinc/12/45/23/719124523.db2.gz FERNKCYRKSYTNA-OKZBNKHCSA-N 2 0 346.494 3.142 20 0 EGADRP Cc1ccc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c1C ZINC001164856969 720952298 /nfs/dbraw/zinc/95/22/98/720952298.db2.gz DEZASXATDPQYHA-MRXNPFEDSA-N 2 0 327.476 3.316 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000052210116 214122483 /nfs/dbraw/zinc/12/24/83/214122483.db2.gz OGTWMPKDSGZRNV-SFHVURJKSA-N 2 0 340.458 3.442 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000053659147 214193145 /nfs/dbraw/zinc/19/31/45/214193145.db2.gz KWIFCWYIXFPWGO-UHFFFAOYSA-N 2 0 341.293 3.149 20 0 EGADRP CCn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000174452033 231211727 /nfs/dbraw/zinc/21/17/27/231211727.db2.gz ACJZVXHJCOCYFB-UHFFFAOYSA-N 2 0 338.455 3.418 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(OC)cc1 ZINC000154483126 529596360 /nfs/dbraw/zinc/59/63/60/529596360.db2.gz ILTHWNNRTQPQIV-FQEVSTJZSA-N 2 0 333.520 3.154 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000184233150 235342568 /nfs/dbraw/zinc/34/25/68/235342568.db2.gz XAVLGZSAZIRNOF-IBGZPJMESA-N 2 0 349.563 3.400 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000361502519 296035477 /nfs/dbraw/zinc/03/54/77/296035477.db2.gz XQBTWZSTDXNJFC-UYAOXDASSA-N 2 0 347.547 3.118 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C[C@H]3CCC=CO3)CC2)c1 ZINC000194194743 240475981 /nfs/dbraw/zinc/47/59/81/240475981.db2.gz LTLJHGDRZBPSPR-OAQYLSRUSA-N 2 0 343.515 3.180 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000262626336 245075988 /nfs/dbraw/zinc/07/59/88/245075988.db2.gz FZPMROGJDVIRHE-LPHOPBHVSA-N 2 0 339.483 3.240 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000263315434 245389981 /nfs/dbraw/zinc/38/99/81/245389981.db2.gz HNXICARYMGRRMK-VQIMIIECSA-N 2 0 339.483 3.322 20 0 EGADRP C[N@H+](Cc1ccc2occc2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633594 169052992 /nfs/dbraw/zinc/05/29/92/169052992.db2.gz VOLGKPVQVXSECN-LJQANCHMSA-N 2 0 327.472 3.033 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3COC4(CCCC4)O3)CC2)C1 ZINC000378424382 169118633 /nfs/dbraw/zinc/11/86/33/169118633.db2.gz DDULAFVZEUKFRY-NZSAHSFTSA-N 2 0 336.520 3.305 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092380969 218137845 /nfs/dbraw/zinc/13/78/45/218137845.db2.gz TVRDNASLJWPZGK-UHFFFAOYSA-N 2 0 326.488 3.344 20 0 EGADRP c1ccc2c(c1)C=C(C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)CO2 ZINC000093735057 218245433 /nfs/dbraw/zinc/24/54/33/218245433.db2.gz VKYTWPOUWNAVNR-UHFFFAOYSA-N 2 0 342.483 3.039 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268751735 252201638 /nfs/dbraw/zinc/20/16/38/252201638.db2.gz VPVKTSJKRQMWEP-IBGZPJMESA-N 2 0 345.531 3.296 20 0 EGADRP C[NH+](C)C[C@H]1CCN(Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000153884224 224171631 /nfs/dbraw/zinc/17/16/31/224171631.db2.gz UNXVOMRHARLUKN-MRXNPFEDSA-N 2 0 333.476 3.417 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344287919 285319162 /nfs/dbraw/zinc/31/91/62/285319162.db2.gz JFJXTOLIBLIMSD-VAMGGRTRSA-N 2 0 332.463 3.171 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H](C)C1 ZINC000221892705 285376534 /nfs/dbraw/zinc/37/65/34/285376534.db2.gz YARCBWICIVYVGR-QFBILLFUSA-N 2 0 334.479 3.194 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000156641969 285376630 /nfs/dbraw/zinc/37/66/30/285376630.db2.gz DLQMSGYPVIJULU-UIFIKXQLSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000169139190 533424580 /nfs/dbraw/zinc/42/45/80/533424580.db2.gz XCFAFFBHFYXUBF-DYESRHJHSA-N 2 0 342.483 3.185 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000246945265 141044807 /nfs/dbraw/zinc/04/48/07/141044807.db2.gz HXZRPEZEPMKSBQ-PMPSAXMXSA-N 2 0 346.544 3.014 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)c1ccccc1 ZINC000346629423 141207751 /nfs/dbraw/zinc/20/77/51/141207751.db2.gz VVYHMDHZHHTGFX-UYAOXDASSA-N 2 0 345.531 3.055 20 0 EGADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000353461081 141302127 /nfs/dbraw/zinc/30/21/27/141302127.db2.gz ABLUGOWWWUKVEH-WOJBJXKFSA-N 2 0 343.515 3.491 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359592613 141381309 /nfs/dbraw/zinc/38/13/09/141381309.db2.gz NZZLYGDFALFPOE-ICSRJNTNSA-N 3 0 344.547 3.146 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000236922545 142596880 /nfs/dbraw/zinc/59/68/80/142596880.db2.gz MSGYLGJGTIXPBU-QGZVFWFLSA-N 2 0 345.531 3.170 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(OC(F)F)cc2)CC[NH+](C)CC1 ZINC000353190877 142652365 /nfs/dbraw/zinc/65/23/65/142652365.db2.gz KAPMXJHQHZOPCC-UHFFFAOYSA-N 2 0 330.444 3.205 20 0 EGADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185601954 144116223 /nfs/dbraw/zinc/11/62/23/144116223.db2.gz MWKIHTCLKLRPIE-FXAWDEMLSA-N 2 0 343.515 3.019 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000344695891 144211162 /nfs/dbraw/zinc/21/11/62/144211162.db2.gz GHZHELYVFMJQTH-HXUWFJFHSA-N 2 0 346.515 3.074 20 0 EGADRP C[C@@]([NH3+])(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000373177207 144495952 /nfs/dbraw/zinc/49/59/52/144495952.db2.gz DCZNOKGRPINJHD-NRFANRHFSA-N 2 0 343.515 3.021 20 0 EGADRP C[NH+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000341169918 155205883 /nfs/dbraw/zinc/20/58/83/155205883.db2.gz ISZHDTHIMDOHTG-UHFFFAOYSA-N 2 0 345.531 3.087 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1OC ZINC000121360249 152345521 /nfs/dbraw/zinc/34/55/21/152345521.db2.gz RJANQEFAGQNESZ-HKUYNNGSSA-N 2 0 333.520 3.010 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000341566751 155360174 /nfs/dbraw/zinc/36/01/74/155360174.db2.gz PJCQHWXPLAZBIR-HNAYVOBHSA-N 2 0 336.439 3.064 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc(Br)cs1 ZINC000300270210 154022383 /nfs/dbraw/zinc/02/23/83/154022383.db2.gz HTEURVPQKRKOST-DRZSPHRISA-N 2 0 345.306 3.024 20 0 EGADRP OCc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000310955933 154144556 /nfs/dbraw/zinc/14/45/56/154144556.db2.gz ZRTUBRKAESPOKJ-YADHBBJMSA-N 2 0 336.479 3.133 20 0 EGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311151749 154147111 /nfs/dbraw/zinc/14/71/11/154147111.db2.gz NIWGQPPFKXFFDF-QUCCMNQESA-N 2 0 338.499 3.299 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000324550903 154174865 /nfs/dbraw/zinc/17/48/65/154174865.db2.gz YLDRXAPTIJQVFV-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP COC1(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336662974 154208801 /nfs/dbraw/zinc/20/88/01/154208801.db2.gz WKOGOVLDENZAEC-PMACEKPBSA-N 2 0 328.500 3.400 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336693944 154209951 /nfs/dbraw/zinc/20/99/51/154209951.db2.gz IBZNBHLBTWEJPH-UXHICEINSA-N 2 0 326.488 3.019 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346814409 156148340 /nfs/dbraw/zinc/14/83/40/156148340.db2.gz BEYKWJXDBUCYMT-TYPHKJRUSA-N 2 0 338.499 3.107 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]21 ZINC000346821081 156150664 /nfs/dbraw/zinc/15/06/64/156150664.db2.gz LFUMSQKPZMUZBA-XOKHGSTOSA-N 2 0 330.863 3.289 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000346823010 156152615 /nfs/dbraw/zinc/15/26/15/156152615.db2.gz JTGXXJFQEMWRMO-OWQGQXMQSA-N 2 0 344.890 3.300 20 0 EGADRP CO[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)[C@@H](C[NH3+])C1 ZINC000346830136 156155257 /nfs/dbraw/zinc/15/52/57/156155257.db2.gz JXBLVTTUAYCKRW-HZPDHXFCSA-N 2 0 334.460 3.492 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347002265 156240421 /nfs/dbraw/zinc/24/04/21/156240421.db2.gz IMWDWLKTWAJVBN-SFHVURJKSA-N 2 0 334.467 3.457 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347005058 156243445 /nfs/dbraw/zinc/24/34/45/156243445.db2.gz AWGMRZULCQTAJJ-NRFANRHFSA-N 2 0 338.499 3.453 20 0 EGADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OC(C)C ZINC000347030608 156257103 /nfs/dbraw/zinc/25/71/03/156257103.db2.gz XJUIIWMDNZWXDA-GOSISDBHSA-N 2 0 332.488 3.446 20 0 EGADRP Cc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc2cccnc12 ZINC000348901959 156282285 /nfs/dbraw/zinc/28/22/85/156282285.db2.gz AZMXPGNPNWPABM-UHFFFAOYSA-N 2 0 342.531 3.249 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000348906653 156283548 /nfs/dbraw/zinc/28/35/48/156283548.db2.gz UWGMLSXSOFYGIF-UHFFFAOYSA-N 2 0 334.483 3.012 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@@H]21 ZINC000093793273 162028094 /nfs/dbraw/zinc/02/80/94/162028094.db2.gz GKIVDDMIDIWRLD-JBACZVJFSA-N 2 0 344.499 3.161 20 0 EGADRP Fc1cc(Br)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000093981852 162034238 /nfs/dbraw/zinc/03/42/38/162034238.db2.gz YVFKVSDLBGXDPW-NSHDSACASA-N 2 0 327.241 3.162 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000338266353 163202051 /nfs/dbraw/zinc/20/20/51/163202051.db2.gz INEWALDOWIROBK-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCc1oc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1C(=O)OC ZINC000338940826 163396145 /nfs/dbraw/zinc/39/61/45/163396145.db2.gz JVGACPXQMOVOHO-UHFFFAOYSA-N 2 0 336.476 3.230 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000354375317 166012840 /nfs/dbraw/zinc/01/28/40/166012840.db2.gz HMQVXXFEEKRGNW-IBGZPJMESA-N 2 0 333.520 3.305 20 0 EGADRP CC(C)[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354708375 166015617 /nfs/dbraw/zinc/01/56/17/166015617.db2.gz PFFIXTKICBNLQK-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC000343835192 164047564 /nfs/dbraw/zinc/04/75/64/164047564.db2.gz UAVYLSJRGQSZBI-FQEVSTJZSA-N 2 0 329.488 3.186 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000344000129 164079988 /nfs/dbraw/zinc/07/99/88/164079988.db2.gz WDEBKJYCQPAFKS-UHFFFAOYSA-N 2 0 345.409 3.233 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000344173921 164120016 /nfs/dbraw/zinc/12/00/16/164120016.db2.gz PTUXMVGDHSUIDF-UXHICEINSA-N 2 0 343.515 3.095 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344178194 164120992 /nfs/dbraw/zinc/12/09/92/164120992.db2.gz VJWFBFGYHXSXQD-HXUWFJFHSA-N 2 0 333.495 3.066 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000345609508 164226851 /nfs/dbraw/zinc/22/68/51/164226851.db2.gz LVIYTLBTGNXVOO-GOSISDBHSA-N 2 0 340.556 3.059 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000345817183 164271699 /nfs/dbraw/zinc/27/16/99/164271699.db2.gz XCBZHZDXXPOHAJ-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000346135002 164346417 /nfs/dbraw/zinc/34/64/17/164346417.db2.gz GBSYNYBKROCZOR-UHFFFAOYSA-N 2 0 344.459 3.129 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350175506 165015724 /nfs/dbraw/zinc/01/57/24/165015724.db2.gz IDGRHLXLTIFGLE-UHFFFAOYSA-N 2 0 326.488 3.263 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000355409433 166188311 /nfs/dbraw/zinc/18/83/11/166188311.db2.gz IIJGCPUEKBQJAT-QZTJIDSGSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000355413354 166189939 /nfs/dbraw/zinc/18/99/39/166189939.db2.gz QSICGRDCTURYDN-IRXDYDNUSA-N 2 0 329.488 3.484 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000355413692 166190025 /nfs/dbraw/zinc/19/00/25/166190025.db2.gz GADGNHMGWRRIME-DLBZAZTESA-N 2 0 348.535 3.145 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cc2c(C)c1 ZINC000358954699 167017946 /nfs/dbraw/zinc/01/79/46/167017946.db2.gz PQDPVYJAELBNHU-GOSISDBHSA-N 2 0 329.488 3.111 20 0 EGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000359080544 167062169 /nfs/dbraw/zinc/06/21/69/167062169.db2.gz QUWDPNJKIVUGAM-TZIWHRDSSA-N 2 0 342.531 3.176 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000359249054 167105939 /nfs/dbraw/zinc/10/59/39/167105939.db2.gz UZOIYKMGOZUQEJ-OALUTQOASA-N 2 0 343.446 3.028 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000359773038 167229124 /nfs/dbraw/zinc/22/91/24/167229124.db2.gz ZJHNLIWLACXTGX-LSTHTHJFSA-N 2 0 333.520 3.008 20 0 EGADRP CCN(CC)C(=O)CCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000359862908 167252018 /nfs/dbraw/zinc/25/20/18/167252018.db2.gz RNVOCVLDOZDMMO-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366254412 168098961 /nfs/dbraw/zinc/09/89/61/168098961.db2.gz HLRQKXDVERFPIK-IBGZPJMESA-N 2 0 343.515 3.275 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863222 168149904 /nfs/dbraw/zinc/14/99/04/168149904.db2.gz GBWGWEFCHVRLDW-UHFFFAOYSA-N 2 0 349.906 3.395 20 0 EGADRP C[C@H](NCc1cnc2n1CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436620 168225337 /nfs/dbraw/zinc/22/53/37/168225337.db2.gz GNRYQWPDGKTMBY-PKOBYXMFSA-N 2 0 338.499 3.220 20 0 EGADRP Cn1cc(CN2CC[C@@H](C[NH+](C)C)C2)c(-c2cc3ccccc3o2)n1 ZINC000367474330 168231811 /nfs/dbraw/zinc/23/18/11/168231811.db2.gz FDCDXMAPVYEEKU-HNNXBMFYSA-N 2 0 338.455 3.217 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C[C@H]4CC=CCC4)CC3)C2)cc1 ZINC000367668659 168257464 /nfs/dbraw/zinc/25/74/64/168257464.db2.gz JDPGRISVHBHQND-RBBKRZOGSA-N 2 0 339.527 3.235 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000367765824 168268395 /nfs/dbraw/zinc/26/83/95/168268395.db2.gz SDKIUOOIECGASO-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000169138941 226232823 /nfs/dbraw/zinc/23/28/23/226232823.db2.gz XCFAFFBHFYXUBF-UWJYYQICSA-N 2 0 342.483 3.185 20 0 EGADRP Cc1ccccc1OCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173952352 265014005 /nfs/dbraw/zinc/01/40/05/265014005.db2.gz UKECZWQMFBTJPF-UHFFFAOYSA-N 2 0 346.515 3.341 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178693976 265335346 /nfs/dbraw/zinc/33/53/46/265335346.db2.gz LDAHZKTWZBQSJF-PXNSSMCTSA-N 2 0 329.532 3.272 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000180119425 265396328 /nfs/dbraw/zinc/39/63/28/265396328.db2.gz PFGWKGQCNDZZDU-UYAOXDASSA-N 2 0 349.588 3.419 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000237519214 266236263 /nfs/dbraw/zinc/23/62/63/266236263.db2.gz QPIMDKCDNWCEHO-KRWDZBQOSA-N 2 0 343.515 3.196 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000269083834 266284741 /nfs/dbraw/zinc/28/47/41/266284741.db2.gz OZTSRHUEMRODRA-OCCSQVGLSA-N 2 0 348.409 3.435 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000271023768 266590836 /nfs/dbraw/zinc/59/08/36/266590836.db2.gz JTHQAUZVHGNMNR-GOSISDBHSA-N 2 0 326.431 3.052 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000273266428 267009014 /nfs/dbraw/zinc/00/90/14/267009014.db2.gz ULZPKXPARQPRGQ-MRXNPFEDSA-N 2 0 331.504 3.430 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273609625 267068802 /nfs/dbraw/zinc/06/88/02/267068802.db2.gz VJZBFSWBUQOTKG-IBGZPJMESA-N 2 0 335.923 3.333 20 0 EGADRP [NH3+]Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000273955497 267150903 /nfs/dbraw/zinc/15/09/03/267150903.db2.gz NPGAVKOSKDPHJM-UHFFFAOYSA-N 2 0 337.467 3.426 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000278447374 268015193 /nfs/dbraw/zinc/01/51/93/268015193.db2.gz IBSYNIOOJIMUFF-ROUUACIJSA-N 2 0 342.487 3.024 20 0 EGADRP c1sc(-c2ccccn2)nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278503102 268026965 /nfs/dbraw/zinc/02/69/65/268026965.db2.gz OIDSBXBFDDOWSF-UHFFFAOYSA-N 2 0 328.485 3.169 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000278504557 268027226 /nfs/dbraw/zinc/02/72/26/268027226.db2.gz QWAYXUZZRSXZSX-OAHLLOKOSA-N 2 0 343.471 3.168 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)N1CC[NH+](C)CC1 ZINC000127843059 274491564 /nfs/dbraw/zinc/49/15/64/274491564.db2.gz RLBZBLWEZBREFY-MLGOLLRUSA-N 2 0 342.314 3.206 20 0 EGADRP OCCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000367614937 275045655 /nfs/dbraw/zinc/04/56/55/275045655.db2.gz JGRZOYBSPISWIS-PWRODBHTSA-N 2 0 342.527 3.429 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000181418307 275058609 /nfs/dbraw/zinc/05/86/09/275058609.db2.gz ILPCMPRCHHQWNY-AQNXPRMDSA-N 2 0 332.463 3.171 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046426961 275137233 /nfs/dbraw/zinc/13/72/33/275137233.db2.gz FDDSDVOMDUIQTG-IAGOWNOFSA-N 2 0 346.519 3.238 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000273787296 275246423 /nfs/dbraw/zinc/24/64/23/275246423.db2.gz TWLPCTZEWMJCEQ-HXUWFJFHSA-N 2 0 341.503 3.180 20 0 EGADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278737383 275270285 /nfs/dbraw/zinc/27/02/85/275270285.db2.gz WNXBZYCFSHTVOZ-LPHOPBHVSA-N 2 0 332.488 3.163 20 0 EGADRP CN(c1ccccc1C[NH2+]C[C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000279882481 275369948 /nfs/dbraw/zinc/36/99/48/275369948.db2.gz GFEXIWXMFWLCAT-MRXNPFEDSA-N 2 0 333.545 3.060 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000280422051 275448893 /nfs/dbraw/zinc/44/88/93/275448893.db2.gz WXDFYLDUEWKTJG-SJORKVTESA-N 2 0 337.939 3.449 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccccc21 ZINC000283369333 275716178 /nfs/dbraw/zinc/71/61/78/275716178.db2.gz NVYJTTQNENVDMS-VQTJNVASSA-N 2 0 344.499 3.490 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)[C@@H]2C1 ZINC000343949498 275776251 /nfs/dbraw/zinc/77/62/51/275776251.db2.gz YVVCEIWJPWCZIL-IOMROCGXSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1oc(C(C)C)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000285558872 275889197 /nfs/dbraw/zinc/88/91/97/275889197.db2.gz MXEUXBHTUZMXEX-UHFFFAOYSA-N 2 0 337.508 3.057 20 0 EGADRP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000286545357 276015047 /nfs/dbraw/zinc/01/50/47/276015047.db2.gz OJFPQZNHYZYUJL-PYKQWIPUSA-N 2 0 336.426 3.069 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000286990827 276067656 /nfs/dbraw/zinc/06/76/56/276067656.db2.gz JQBYRJNJYWVLSF-JRGCBEDISA-N 2 0 347.547 3.396 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000287724960 276151097 /nfs/dbraw/zinc/15/10/97/276151097.db2.gz OTKQBUSXBFTALV-QZTJIDSGSA-N 2 0 341.503 3.430 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000121198900 276196325 /nfs/dbraw/zinc/19/63/25/276196325.db2.gz FNHLNTQYQPWSTF-AEFFLSMTSA-N 2 0 333.520 3.156 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000097230651 276203155 /nfs/dbraw/zinc/20/31/55/276203155.db2.gz IRWUICBUFRGLEJ-IRXDYDNUSA-N 2 0 349.494 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000288455544 276215952 /nfs/dbraw/zinc/21/59/52/276215952.db2.gz PQYRKULZPIWEOA-PXNSSMCTSA-N 2 0 343.515 3.227 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000288471949 276217651 /nfs/dbraw/zinc/21/76/51/276217651.db2.gz FVENRZJGFZEVRN-FQEVSTJZSA-N 2 0 339.483 3.059 20 0 EGADRP C[C@H](O)c1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000289231461 276308396 /nfs/dbraw/zinc/30/83/96/276308396.db2.gz KFXNBPMJSVFKRT-HNNXBMFYSA-N 2 0 345.512 3.198 20 0 EGADRP CCOCCC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000341813282 276316729 /nfs/dbraw/zinc/31/67/29/276316729.db2.gz VVXOBZDHCXLJQU-INIZCTEOSA-N 2 0 337.483 3.045 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000289732590 276385444 /nfs/dbraw/zinc/38/54/44/276385444.db2.gz LTAJEKCNAZHKJG-ZWKOTPCHSA-N 2 0 340.515 3.159 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000292172108 276744651 /nfs/dbraw/zinc/74/46/51/276744651.db2.gz WDXBNLSJPDPOFK-SFHVURJKSA-N 2 0 329.488 3.186 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000353451749 278344776 /nfs/dbraw/zinc/34/47/76/278344776.db2.gz XUZCVYYFVFCUIE-DLBZAZTESA-N 2 0 327.476 3.182 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000340598742 279092699 /nfs/dbraw/zinc/09/26/99/279092699.db2.gz ALJLAZYBRNNJFU-YQVWRLOYSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152053174 288105429 /nfs/dbraw/zinc/10/54/29/288105429.db2.gz GVKXUCWJTGWFAQ-GPMSIDNRSA-N 2 0 334.479 3.192 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000303240878 279140848 /nfs/dbraw/zinc/14/08/48/279140848.db2.gz JOGBCOHQMNIEQH-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000341841125 279234709 /nfs/dbraw/zinc/23/47/09/279234709.db2.gz NRSMFTOWIKLYTK-KRWDZBQOSA-N 2 0 331.504 3.083 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCCC1 ZINC000181687373 289359804 /nfs/dbraw/zinc/35/98/04/289359804.db2.gz FMENDGNLYWUOOC-KSZLIROESA-N 2 0 335.536 3.020 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000360056101 293090519 /nfs/dbraw/zinc/09/05/19/293090519.db2.gz QKRZPHMIAJODOC-LEWJYISDSA-N 2 0 347.547 3.016 20 0 EGADRP COc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)C2CC2)c(OC)c1 ZINC000262039434 295127245 /nfs/dbraw/zinc/12/72/45/295127245.db2.gz YEKOHLRQFRXSLN-HZPDHXFCSA-N 2 0 332.488 3.304 20 0 EGADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+](C2CCC2)C1 ZINC000344769840 300164795 /nfs/dbraw/zinc/16/47/95/300164795.db2.gz IODOKWSCFPRKQW-XLIONFOSSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120783800 307511146 /nfs/dbraw/zinc/51/11/46/307511146.db2.gz GOUVUYDDRNCZSW-RTBURBONSA-N 2 0 331.548 3.419 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120944862 307513449 /nfs/dbraw/zinc/51/34/49/307513449.db2.gz LTYCSDLCWRQXFQ-OALUTQOASA-N 2 0 347.547 3.256 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414067226 309058869 /nfs/dbraw/zinc/05/88/69/309058869.db2.gz ADYPIDXELHTWPY-FUHWJXTLSA-N 2 0 336.907 3.413 20 0 EGADRP O[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C[NH+]1CCCC1 ZINC000414086021 309060216 /nfs/dbraw/zinc/06/02/16/309060216.db2.gz ZEASGAQBJWOSPQ-NZSAHSFTSA-N 2 0 336.907 3.413 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000414104611 309061065 /nfs/dbraw/zinc/06/10/65/309061065.db2.gz ZHYTXBSJVYVNAI-NDXORKPFSA-N 2 0 346.515 3.422 20 0 EGADRP Cn1ccnc1[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175650 309064823 /nfs/dbraw/zinc/06/48/23/309064823.db2.gz HOEIKJUQSUYYKB-MAUKXSAKSA-N 2 0 346.906 3.484 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000414191378 309065904 /nfs/dbraw/zinc/06/59/04/309065904.db2.gz RWADOOYMOKKBHO-AHRSYUTCSA-N 2 0 344.499 3.490 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154393778 307793818 /nfs/dbraw/zinc/79/38/18/307793818.db2.gz QEBWJOCIFJGVHY-IBGZPJMESA-N 2 0 347.547 3.400 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000155629570 307817767 /nfs/dbraw/zinc/81/77/67/307817767.db2.gz NSGAPCQKYLYUEW-JKSUJKDBSA-N 2 0 335.561 3.304 20 0 EGADRP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414344461 309074044 /nfs/dbraw/zinc/07/40/44/309074044.db2.gz RTRAYOVNWVGMEF-IBGZPJMESA-N 2 0 343.515 3.052 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246234214 307970345 /nfs/dbraw/zinc/97/03/45/307970345.db2.gz IBMASWFSBSPHSV-SLFFLAALSA-N 2 0 349.563 3.399 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CN1Cc1ccccc1 ZINC000248742940 308010643 /nfs/dbraw/zinc/01/06/43/308010643.db2.gz RPKSUSDIWWYLEW-RACLHMPKSA-N 2 0 326.484 3.197 20 0 EGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000249761659 308028028 /nfs/dbraw/zinc/02/80/28/308028028.db2.gz GYISEHRPXDCLST-BBWFWOEESA-N 2 0 346.519 3.236 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000262639678 308064891 /nfs/dbraw/zinc/06/48/91/308064891.db2.gz JNNSIUIPUOFNQO-AQNXPRMDSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887638 308076626 /nfs/dbraw/zinc/07/66/26/308076626.db2.gz YNOHLCJHTQJDQS-SFHVURJKSA-N 2 0 330.863 3.053 20 0 EGADRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c(OC)c1OC ZINC000293188379 308107829 /nfs/dbraw/zinc/10/78/29/308107829.db2.gz WZJABXXUQKYTFS-UHFFFAOYSA-N 2 0 336.476 3.068 20 0 EGADRP Fc1ccc([C@H](NCCCCC[NH+]2CCCCC2)c2nc[nH]n2)cc1 ZINC000293231869 308112014 /nfs/dbraw/zinc/11/20/14/308112014.db2.gz ATTPHLMYCCIPGG-SFHVURJKSA-N 2 0 345.466 3.279 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404576 308127552 /nfs/dbraw/zinc/12/75/52/308127552.db2.gz RLTURURZCMRWMK-OAQYLSRUSA-N 3 0 341.543 3.459 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1-n1ccnn1 ZINC000293587157 308144206 /nfs/dbraw/zinc/14/42/06/308144206.db2.gz CLAYWMINPCURJN-KRWDZBQOSA-N 2 0 327.476 3.184 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCO2 ZINC000294356063 308213433 /nfs/dbraw/zinc/21/34/33/308213433.db2.gz ZRUWKXTXACQMMA-GOSISDBHSA-N 2 0 327.403 3.303 20 0 EGADRP C[N@H+](CCN1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000295009639 308281157 /nfs/dbraw/zinc/28/11/57/308281157.db2.gz SJCBHLUPXWVEMY-CTNGQTDRSA-N 2 0 327.516 3.067 20 0 EGADRP CN(Cc1cnn(CC(F)F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295297667 308312086 /nfs/dbraw/zinc/31/20/86/308312086.db2.gz JPFYYHMSEATBMB-QGZVFWFLSA-N 2 0 348.441 3.102 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)O1 ZINC000295664166 308348500 /nfs/dbraw/zinc/34/85/00/308348500.db2.gz JPEJNZHWCDVPCE-LVCYWYKZSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCc1cscn1 ZINC000295690363 308350910 /nfs/dbraw/zinc/35/09/10/308350910.db2.gz IENGKUIDSKDWIA-HZPDHXFCSA-N 2 0 329.513 3.432 20 0 EGADRP [NH3+]C1(c2noc([C@@H]3CCn4c(cnc4C4CCCCC4)C3)n2)CCC1 ZINC000414628351 309092606 /nfs/dbraw/zinc/09/26/06/309092606.db2.gz NTCJYWJLQHFTKK-CQSZACIVSA-N 2 0 341.459 3.382 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NCC(C)(C)[NH3+])C1CCCCC1 ZINC000414719230 309097299 /nfs/dbraw/zinc/09/72/99/309097299.db2.gz XVHWLVQOUVYWJX-UHFFFAOYSA-N 2 0 332.492 3.310 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000414659827 309094226 /nfs/dbraw/zinc/09/42/26/309094226.db2.gz UEZXYFKPCFCKMM-UHFFFAOYSA-N 2 0 339.487 3.231 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)CC12CCOCC2 ZINC000414771931 309099899 /nfs/dbraw/zinc/09/98/99/309099899.db2.gz ASKITBCCIRKOTK-KRWDZBQOSA-N 2 0 326.440 3.134 20 0 EGADRP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccccc2Cl)n1 ZINC000414773610 309100206 /nfs/dbraw/zinc/10/02/06/309100206.db2.gz XHASKJXMNFXMFV-GASCZTMLSA-N 2 0 344.890 3.172 20 0 EGADRP Fc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779908 309100689 /nfs/dbraw/zinc/10/06/89/309100689.db2.gz KXAQDUGHTMYNGU-OLZOCXBDSA-N 2 0 341.268 3.410 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000414789191 309101442 /nfs/dbraw/zinc/10/14/42/309101442.db2.gz XXOBLKCMFQLDDV-CABCVRRESA-N 2 0 330.501 3.095 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000414832224 309104412 /nfs/dbraw/zinc/10/44/12/309104412.db2.gz OEDRDWAWXKJRKI-HNNXBMFYSA-N 2 0 331.485 3.120 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2)cs1 ZINC000414837682 309104799 /nfs/dbraw/zinc/10/47/99/309104799.db2.gz UWXNSXNQYOZFKG-MRXNPFEDSA-N 2 0 331.485 3.120 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414843894 309105205 /nfs/dbraw/zinc/10/52/05/309105205.db2.gz QLUVOLPIEIRUPX-LLVKDONJSA-N 2 0 326.366 3.041 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414851954 309105569 /nfs/dbraw/zinc/10/55/69/309105569.db2.gz JRKUYCTWKCYVGA-FUHWJXTLSA-N 2 0 325.456 3.138 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414855021 309105868 /nfs/dbraw/zinc/10/58/68/309105868.db2.gz MRQOHPABLOKMRQ-RRFJBIMHSA-N 2 0 337.895 3.343 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414863774 309106166 /nfs/dbraw/zinc/10/61/66/309106166.db2.gz YEIMJDOFISFOQM-GXTWGEPZSA-N 2 0 346.393 3.114 20 0 EGADRP [NH3+][C@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000414889776 309107621 /nfs/dbraw/zinc/10/76/21/309107621.db2.gz LSOLXGGRCQDYEC-HXUWFJFHSA-N 2 0 330.422 3.446 20 0 EGADRP COc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414895177 309107932 /nfs/dbraw/zinc/10/79/32/309107932.db2.gz MRKIKFPPRISCKL-CQSZACIVSA-N 2 0 332.419 3.240 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414902924 309108324 /nfs/dbraw/zinc/10/83/24/309108324.db2.gz YWRLSABHKSKWGJ-CQSZACIVSA-N 2 0 326.469 3.428 20 0 EGADRP CC1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC[NH2+]CC1 ZINC000414902008 309108424 /nfs/dbraw/zinc/10/84/24/309108424.db2.gz JZZSUALNLPTHLZ-UHFFFAOYSA-N 2 0 325.456 3.140 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414907453 309108503 /nfs/dbraw/zinc/10/85/03/309108503.db2.gz QPEKDZCLJGILTI-GFCCVEGCSA-N 2 0 343.284 3.499 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910453 309108787 /nfs/dbraw/zinc/10/87/87/309108787.db2.gz VOBZAKQFMPMFAU-SMDDNHRTSA-N 2 0 329.257 3.251 20 0 EGADRP COc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414991170 309113072 /nfs/dbraw/zinc/11/30/72/309113072.db2.gz ANFMDDNAKRSZPH-YPMHNXCESA-N 2 0 327.266 3.065 20 0 EGADRP Oc1cc(F)cc(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414994421 309113172 /nfs/dbraw/zinc/11/31/72/309113172.db2.gz DPAUNCJHSCPNQA-HNAYVOBHSA-N 2 0 332.394 3.153 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000415009512 309114076 /nfs/dbraw/zinc/11/40/76/309114076.db2.gz UELZDALNERNUBL-AEFFLSMTSA-N 2 0 335.923 3.412 20 0 EGADRP Cc1cc(Br)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415013411 309114240 /nfs/dbraw/zinc/11/42/40/309114240.db2.gz UYUDBLVABGBEGU-WCQYABFASA-N 2 0 329.307 3.297 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000415011972 309114273 /nfs/dbraw/zinc/11/42/73/309114273.db2.gz WSPHFTYBFPAZRS-KKUMJFAQSA-N 2 0 337.895 3.473 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015083 309114435 /nfs/dbraw/zinc/11/44/35/309114435.db2.gz YCISDBZGBRWPNO-VQTJNVASSA-N 2 0 337.467 3.235 20 0 EGADRP COc1c(Br)cccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022960 309114947 /nfs/dbraw/zinc/11/49/47/309114947.db2.gz JXAYWPBTDFBALS-JOCQHMNTSA-N 2 0 341.293 3.312 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415025017 309115089 /nfs/dbraw/zinc/11/50/89/309115089.db2.gz OURVUEWIMPXDBP-WGSAOQKQSA-N 2 0 340.515 3.403 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415050830 309116620 /nfs/dbraw/zinc/11/66/20/309116620.db2.gz YXYUXHVVTJHABG-WBVHZDCISA-N 2 0 346.906 3.419 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1cncc(Br)c1)c1ccccc1 ZINC000415052855 309116728 /nfs/dbraw/zinc/11/67/28/309116728.db2.gz LUWGZTFOLJOIMA-INIZCTEOSA-N 2 0 334.261 3.414 20 0 EGADRP COc1ccc(C2(C[NH2+]C[C@H]3CCC[NH2+]C3)CCCCC2)cc1OC ZINC000415083464 309118941 /nfs/dbraw/zinc/11/89/41/309118941.db2.gz FNZVNRYIMMPRRD-KRWDZBQOSA-N 2 0 346.515 3.495 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]CCCc2nc(-c3ccncc3)cs2)CC[NH2+]1 ZINC000415085112 309119159 /nfs/dbraw/zinc/11/91/59/309119159.db2.gz QHFYNDPVCRUQHX-CABCVRRESA-N 2 0 330.501 3.115 20 0 EGADRP COc1ccc([C@@H](C[NH2+]C2CCC([NH3+])CC2)N2CCCCC2)cc1 ZINC000415085672 309119332 /nfs/dbraw/zinc/11/93/32/309119332.db2.gz QNGOLLZTWOUQBO-AFMYVXGZSA-N 2 0 331.504 3.082 20 0 EGADRP COc1cccc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c1OC1CCCC1 ZINC000415093856 309119787 /nfs/dbraw/zinc/11/97/87/309119787.db2.gz WIJVICKOYZZPFE-HOTGVXAUSA-N 2 0 332.488 3.494 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415108739 309120880 /nfs/dbraw/zinc/12/08/80/309120880.db2.gz MWTPPFRQLZKYGD-UIAACRFSSA-N 2 0 332.488 3.017 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)C1 ZINC000415117222 309121412 /nfs/dbraw/zinc/12/14/12/309121412.db2.gz BYPOJWUVPQBSBN-SJORKVTESA-N 2 0 326.843 3.197 20 0 EGADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415121152 309121798 /nfs/dbraw/zinc/12/17/98/309121798.db2.gz HMDBJHWKIJQRJR-FUHWJXTLSA-N 2 0 338.879 3.067 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000415130017 309122589 /nfs/dbraw/zinc/12/25/89/309122589.db2.gz WHLXBLZIEGPFMC-CRAIPNDOSA-N 2 0 338.879 3.067 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000415132339 309122732 /nfs/dbraw/zinc/12/27/32/309122732.db2.gz KYLLLOGWEOFDCO-HBFSDRIKSA-N 2 0 329.532 3.394 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415131247 309122781 /nfs/dbraw/zinc/12/27/81/309122781.db2.gz YRQFLPIELMGLJI-QUCCMNQESA-N 2 0 332.488 3.194 20 0 EGADRP COc1cccc(Cl)c1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415131895 309122785 /nfs/dbraw/zinc/12/27/85/309122785.db2.gz SQBYBTFUKHCIQC-FUHWJXTLSA-N 2 0 338.879 3.067 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C[NH2+]C ZINC000415912960 309148079 /nfs/dbraw/zinc/14/80/79/309148079.db2.gz NVBDURUQYMCHHM-HKUYNNGSSA-N 2 0 346.519 3.428 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415922182 309148851 /nfs/dbraw/zinc/14/88/51/309148851.db2.gz SWTYNTVZCYIOGG-HNNXBMFYSA-N 2 0 332.492 3.038 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416160404 309161423 /nfs/dbraw/zinc/16/14/23/309161423.db2.gz XZUMRFUHVLBMJL-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000416165819 309161774 /nfs/dbraw/zinc/16/17/74/309161774.db2.gz IEXHKZVJAVEWDG-UXHICEINSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417693055 309218252 /nfs/dbraw/zinc/21/82/52/309218252.db2.gz PUUNRWUIQDZKFI-DLBZAZTESA-N 2 0 346.519 3.029 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000417702676 309218774 /nfs/dbraw/zinc/21/87/74/309218774.db2.gz KOJWFGPDLYCRCB-RYRKJORJSA-N 2 0 346.519 3.027 20 0 EGADRP CCC(CC)(CNC(=O)N1CCC([NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417707878 309218990 /nfs/dbraw/zinc/21/89/90/309218990.db2.gz RGJCLWFUNUWBRA-MRXNPFEDSA-N 2 0 346.519 3.029 20 0 EGADRP COC(=O)CC1(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000420305448 309280719 /nfs/dbraw/zinc/28/07/19/309280719.db2.gz GIOKGSFQOOVPMC-OALUTQOASA-N 2 0 344.499 3.002 20 0 EGADRP CC[C@@H](C)[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420318286 309281747 /nfs/dbraw/zinc/28/17/47/309281747.db2.gz OILINXJOFLKCOH-HZPDHXFCSA-N 2 0 342.487 3.326 20 0 EGADRP CCOc1ccc(C[N@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420319394 309281911 /nfs/dbraw/zinc/28/19/11/309281911.db2.gz PLJFWQHVDNSCQR-SFHVURJKSA-N 2 0 328.456 3.268 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000420327349 309282247 /nfs/dbraw/zinc/28/22/47/309282247.db2.gz YOIKMMDXBMERTB-IAGOWNOFSA-N 2 0 345.512 3.382 20 0 EGADRP FC(F)Oc1ccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420354209 309283768 /nfs/dbraw/zinc/28/37/68/309283768.db2.gz CMWBTOCRIIURRT-QGZVFWFLSA-N 2 0 340.414 3.051 20 0 EGADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Br ZINC000420382851 309285517 /nfs/dbraw/zinc/28/55/17/309285517.db2.gz YUOGSSIAPHXSKH-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420387268 309285652 /nfs/dbraw/zinc/28/56/52/309285652.db2.gz VSIRPTFOXGRHKL-BEFAXECRSA-N 2 0 327.476 3.258 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3ccc(C)cc3)CC2)CC1 ZINC000420972473 309305182 /nfs/dbraw/zinc/30/51/82/309305182.db2.gz AZKCDJCUAXFLOB-UHFFFAOYSA-N 2 0 343.559 3.420 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](C)c3ccccc3)CC2)CC1 ZINC000420982572 309305656 /nfs/dbraw/zinc/30/56/56/309305656.db2.gz PMNLDMFYKURKTI-IBGZPJMESA-N 2 0 329.532 3.282 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000421369843 309321118 /nfs/dbraw/zinc/32/11/18/309321118.db2.gz IAMBHZDVPWZBLE-SFHVURJKSA-N 2 0 347.522 3.421 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CCCC1 ZINC000421827877 309342008 /nfs/dbraw/zinc/34/20/08/309342008.db2.gz ZXERTUYYMNLDSG-KRWDZBQOSA-N 2 0 334.504 3.454 20 0 EGADRP CCC(CC)(CNC(=O)NC(C)(C)CC[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422598512 309362360 /nfs/dbraw/zinc/36/23/60/309362360.db2.gz NNMXLFNMJPJPCZ-INIZCTEOSA-N 2 0 348.535 3.323 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423272876 309393482 /nfs/dbraw/zinc/39/34/82/309393482.db2.gz KEDPZELHBJSZHS-LRDDRELGSA-N 2 0 325.294 3.215 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H]1C[NH3+] ZINC000422631146 309363047 /nfs/dbraw/zinc/36/30/47/309363047.db2.gz FBUYXVUWRVOQHI-FUHIMQAGSA-N 2 0 343.515 3.118 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1OC(F)F ZINC000422697190 309363493 /nfs/dbraw/zinc/36/34/93/309363493.db2.gz UENTYBPEKZQBMK-TZMCWYRMSA-N 2 0 328.403 3.164 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422712739 309364525 /nfs/dbraw/zinc/36/45/25/309364525.db2.gz IUEIBGKRPMUIKE-KDXIVRHGSA-N 2 0 341.543 3.334 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422717321 309364616 /nfs/dbraw/zinc/36/46/16/309364616.db2.gz VKLUMQINAFSLIG-UHOSZYNNSA-N 2 0 344.499 3.234 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422725931 309365045 /nfs/dbraw/zinc/36/50/45/309365045.db2.gz CPRALKLENWQRKA-HYVNUMGLSA-N 2 0 343.298 3.283 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422722609 309365107 /nfs/dbraw/zinc/36/51/07/309365107.db2.gz PMBZIKDGLJLZDB-RTBURBONSA-N 2 0 337.458 3.179 20 0 EGADRP C[C@H]([NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000422725940 309365305 /nfs/dbraw/zinc/36/53/05/309365305.db2.gz CPXQQGURDDTMDR-ILZDJORESA-N 2 0 329.532 3.047 20 0 EGADRP CCc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000422727166 309365402 /nfs/dbraw/zinc/36/54/02/309365402.db2.gz BLGFXCOVVFQDQR-YCRPNKLZSA-N 2 0 340.515 3.365 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422733225 309365692 /nfs/dbraw/zinc/36/56/92/309365692.db2.gz QLKLWHXKRPBRCX-KBXCAEBGSA-N 2 0 344.528 3.398 20 0 EGADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422734744 309365868 /nfs/dbraw/zinc/36/58/68/309365868.db2.gz TWYOPNUDYVPMPC-JGUMPVPUSA-N 2 0 341.543 3.332 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)c2cccs2)CC1 ZINC000422747363 309366181 /nfs/dbraw/zinc/36/61/81/309366181.db2.gz PYZOIUCBIJAUJU-KZNAEPCWSA-N 2 0 335.561 3.499 20 0 EGADRP CC[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Cc1cccc(Br)c1 ZINC000422753431 309366577 /nfs/dbraw/zinc/36/65/77/309366577.db2.gz IGWUHNNZFLVVJL-QWHCGFSZSA-N 2 0 325.294 3.215 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000422760649 309367004 /nfs/dbraw/zinc/36/70/04/309367004.db2.gz LBFQTLAUCMEIDE-QAPCUYQASA-N 2 0 348.487 3.057 20 0 EGADRP Clc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422766247 309367188 /nfs/dbraw/zinc/36/71/88/309367188.db2.gz LQWYMWFXRRSTQB-FGTMMUONSA-N 2 0 334.891 3.118 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1 ZINC000422773297 309367538 /nfs/dbraw/zinc/36/75/38/309367538.db2.gz ZSFUKNWWPYTSKG-FSSWDIPSSA-N 2 0 335.495 3.344 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000422783845 309367987 /nfs/dbraw/zinc/36/79/87/309367987.db2.gz OUYLZQGHRNNUCE-TZIWHRDSSA-N 3 0 345.531 3.014 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422788491 309368185 /nfs/dbraw/zinc/36/81/85/309368185.db2.gz AVFNAENFCRSIFZ-DFQSSKMNSA-N 2 0 333.520 3.185 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422787471 309368263 /nfs/dbraw/zinc/36/82/63/309368263.db2.gz MEYBNACICIEMQA-AZUAARDMSA-N 2 0 326.488 3.155 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422792480 309368449 /nfs/dbraw/zinc/36/84/49/309368449.db2.gz XCEXKYGMCTZWEK-OAHLLOKOSA-N 2 0 329.444 3.490 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422797793 309368785 /nfs/dbraw/zinc/36/87/85/309368785.db2.gz OMVAZYPCQSTPOK-HSALFYBXSA-N 2 0 330.516 3.491 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000422798275 309369067 /nfs/dbraw/zinc/36/90/67/309369067.db2.gz QLBROEQBPKLXMY-XUVXKRRUSA-N 2 0 333.520 3.328 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422818469 309370055 /nfs/dbraw/zinc/37/00/55/309370055.db2.gz GHUWXUKBJFIDHQ-PEYYIBSZSA-N 2 0 331.287 3.268 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000422821658 309370299 /nfs/dbraw/zinc/37/02/99/309370299.db2.gz XRWYCPUEYJHHTE-IAGOWNOFSA-N 2 0 341.421 3.385 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1OCC(F)(F)F ZINC000422823952 309370304 /nfs/dbraw/zinc/37/03/04/309370304.db2.gz FPNCNXICRZKNCD-GXTWGEPZSA-N 2 0 346.393 3.114 20 0 EGADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1Br ZINC000422827889 309370557 /nfs/dbraw/zinc/37/05/57/309370557.db2.gz ADSZQTVAIOZJIR-ICIURTGMSA-N 2 0 339.277 3.089 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(OC2CCCC2)c1 ZINC000422825485 309370616 /nfs/dbraw/zinc/37/06/16/309370616.db2.gz PRSQCUCBMMZLDK-HNAYVOBHSA-N 2 0 332.488 3.494 20 0 EGADRP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C[NH+]2CCCCCC2)c1 ZINC000422828595 309370671 /nfs/dbraw/zinc/37/06/71/309370671.db2.gz OJRCGPDNIPHNJA-WCRBZPEASA-N 3 0 327.516 3.435 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422829977 309370813 /nfs/dbraw/zinc/37/08/13/309370813.db2.gz QGTQZWJMQGGAOF-RBUKOAKNSA-N 2 0 334.467 3.302 20 0 EGADRP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832768 309370989 /nfs/dbraw/zinc/37/09/89/309370989.db2.gz FYBLMLSKEPWGLR-VBSBHUPXSA-N 2 0 347.572 3.470 20 0 EGADRP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422840019 309371290 /nfs/dbraw/zinc/37/12/90/309371290.db2.gz RXINPGVIHBTHAB-WZGPROSRSA-N 2 0 333.907 3.429 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422839229 309371365 /nfs/dbraw/zinc/37/13/65/309371365.db2.gz QANBTJSSITVUQV-FXAWDEMLSA-N 2 0 347.466 3.151 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422844361 309371613 /nfs/dbraw/zinc/37/16/13/309371613.db2.gz LNXUWJLGJQEXPP-UONOGXRCSA-N 2 0 329.419 3.293 20 0 EGADRP [NH3+][C@H]1C[C@H](NCC2([NH+]3CCSCC3)CCCC2)c2ccccc21 ZINC000422844282 309371639 /nfs/dbraw/zinc/37/16/39/309371639.db2.gz LJYHKXMQJSMEPZ-ROUUACIJSA-N 2 0 331.529 3.082 20 0 EGADRP [NH3+][C@H]1C[C@@H](NCC2([NH+]3CCSCC3)CCCC2)c2ccccc21 ZINC000422844283 309371743 /nfs/dbraw/zinc/37/17/43/309371743.db2.gz LJYHKXMQJSMEPZ-ZWKOTPCHSA-N 2 0 331.529 3.082 20 0 EGADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422855581 309372199 /nfs/dbraw/zinc/37/21/99/309372199.db2.gz CMXUVJFBNBFUCI-NJDAHSKKSA-N 2 0 346.515 3.011 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422870799 309372902 /nfs/dbraw/zinc/37/29/02/309372902.db2.gz CHDBRKLLHKYXBD-NZSAHSFTSA-N 2 0 332.488 3.160 20 0 EGADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422885695 309374140 /nfs/dbraw/zinc/37/41/40/309374140.db2.gz ZERMKQSWIHIYPN-NSISKUIASA-N 2 0 348.531 3.341 20 0 EGADRP Cc1nc(C)c(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422891321 309374399 /nfs/dbraw/zinc/37/43/99/309374399.db2.gz VDZLRMCSBRVWBD-LPHOPBHVSA-N 2 0 343.496 3.148 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@@H](C)CCCC[NH3+])cn2)c1 ZINC000422895900 309374799 /nfs/dbraw/zinc/37/47/99/309374799.db2.gz GSALZESASLRLNN-HNNXBMFYSA-N 2 0 329.444 3.490 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000422940566 309377345 /nfs/dbraw/zinc/37/73/45/309377345.db2.gz HBKZRCBUNIIPDO-VQIMIIECSA-N 2 0 325.456 3.474 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422945249 309377451 /nfs/dbraw/zinc/37/74/51/309377451.db2.gz NGDRIGBVICCMNW-GDBMZVCRSA-N 2 0 344.528 3.243 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422949922 309377653 /nfs/dbraw/zinc/37/76/53/309377653.db2.gz UYFVYGUMVJKVMJ-ZBFHGGJFSA-N 2 0 344.528 3.372 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422953019 309377910 /nfs/dbraw/zinc/37/79/10/309377910.db2.gz DSRCKXCVLBCJRF-HIFRSBDPSA-N 2 0 334.851 3.040 20 0 EGADRP Fc1cccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000422959335 309378366 /nfs/dbraw/zinc/37/83/66/309378366.db2.gz RPSWZURLDHFXSK-YLJYHZDGSA-N 2 0 344.405 3.353 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422964557 309378799 /nfs/dbraw/zinc/37/87/99/309378799.db2.gz ITQFVGCHMQRFOB-QRWLVFNGSA-N 2 0 341.499 3.302 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccco1 ZINC000422973404 309379103 /nfs/dbraw/zinc/37/91/03/309379103.db2.gz OKVBIZOQVRALTR-YTQUADARSA-N 2 0 329.488 3.211 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422977234 309379281 /nfs/dbraw/zinc/37/92/81/309379281.db2.gz WLIVGDUOXMGJHP-QFBILLFUSA-N 2 0 325.456 3.138 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1C ZINC000423000518 309380172 /nfs/dbraw/zinc/38/01/72/309380172.db2.gz VIDYZIHFMYZZIP-PWRODBHTSA-N 2 0 330.516 3.475 20 0 EGADRP COc1cc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(OC)c1 ZINC000423003446 309380390 /nfs/dbraw/zinc/38/03/90/309380390.db2.gz MCDQCSKVSGJBBI-XUVXKRRUSA-N 2 0 347.503 3.016 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423013430 309380942 /nfs/dbraw/zinc/38/09/42/309380942.db2.gz MSHPYYWTJDRDQZ-GUDVDZBRSA-N 2 0 332.488 3.147 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423014646 309380998 /nfs/dbraw/zinc/38/09/98/309380998.db2.gz PKAQKDFULYVZPT-RBUKOAKNSA-N 2 0 326.440 3.371 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c2ccccc21 ZINC000423015280 309381033 /nfs/dbraw/zinc/38/10/33/309381033.db2.gz QQTFLDYHNMLWTK-AYBZRNKSSA-N 2 0 329.488 3.385 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c2ccccc21 ZINC000423015282 309381136 /nfs/dbraw/zinc/38/11/36/309381136.db2.gz QQTFLDYHNMLWTK-SUMDDJOVSA-N 2 0 329.488 3.385 20 0 EGADRP COc1cc(F)cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423019822 309381327 /nfs/dbraw/zinc/38/13/27/309381327.db2.gz XIJXAPVVUMOUMI-AZUAARDMSA-N 2 0 342.414 3.180 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423025204 309381529 /nfs/dbraw/zinc/38/15/29/309381529.db2.gz NNNZENOLPLCXAO-IIYDPXPESA-N 2 0 325.859 3.036 20 0 EGADRP COC1CCC(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423038205 309382453 /nfs/dbraw/zinc/38/24/53/309382453.db2.gz NZGFQLYEDNCYPV-QIBIFGARSA-N 2 0 344.499 3.427 20 0 EGADRP Fc1ccc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423049909 309383090 /nfs/dbraw/zinc/38/30/90/309383090.db2.gz KHHHXARFYCZOHM-KFKAGJAMSA-N 2 0 338.442 3.034 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO[C@@H]1C1CC1 ZINC000423050368 309383250 /nfs/dbraw/zinc/38/32/50/309383250.db2.gz LRKZATNHKLAMGG-WLRLJWMZSA-N 2 0 342.483 3.037 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423058207 309383592 /nfs/dbraw/zinc/38/35/92/309383592.db2.gz BPNAMWIODXYFTL-DZKIICNBSA-N 2 0 341.421 3.391 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056570 309383597 /nfs/dbraw/zinc/38/35/97/309383597.db2.gz YMROWHIUHZLMMA-KBRIMQKVSA-N 2 0 343.437 3.286 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1C[NH2+]C1 ZINC000423072612 309384516 /nfs/dbraw/zinc/38/45/16/309384516.db2.gz PVEHKCQBKFIPKT-RISCZKNCSA-N 2 0 328.287 3.160 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCn2cc(Br)cn2)c2ccccc21 ZINC000423088608 309385341 /nfs/dbraw/zinc/38/53/41/309385341.db2.gz SJIAGMFZCWQWHV-CVEARBPZSA-N 2 0 349.276 3.160 20 0 EGADRP COC1CCC(C)(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423090089 309385450 /nfs/dbraw/zinc/38/54/50/309385450.db2.gz WUEUUNDYWDPKQT-DQRQAYMUSA-N 2 0 344.499 3.427 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000423097904 309385860 /nfs/dbraw/zinc/38/58/60/309385860.db2.gz BQZANNOHJLLAOK-XHDPSFHLSA-N 2 0 326.282 3.402 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000423135895 309387876 /nfs/dbraw/zinc/38/78/76/309387876.db2.gz OMVUAVDDYDGONB-TZIWHRDSSA-N 3 0 343.515 3.098 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423138663 309387931 /nfs/dbraw/zinc/38/79/31/309387931.db2.gz JSJKPUNKCIJZGH-KCITZHQASA-N 2 0 331.479 3.162 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423142257 309388152 /nfs/dbraw/zinc/38/81/52/309388152.db2.gz UUEBSRMYTSDIOY-CBQMWWCCSA-N 2 0 327.516 3.161 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccn1 ZINC000423148556 309388426 /nfs/dbraw/zinc/38/84/26/309388426.db2.gz VYFNRJALAOPNIJ-DYESRHJHSA-N 2 0 337.467 3.205 20 0 EGADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423157374 309388631 /nfs/dbraw/zinc/38/86/31/309388631.db2.gz ARQHJECUVYUWQU-BXTJHSDWSA-N 2 0 330.447 3.313 20 0 EGADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)c1 ZINC000423176692 309389150 /nfs/dbraw/zinc/38/91/50/309389150.db2.gz COSTTXRLZYLBSL-MJGOQNOKSA-N 2 0 335.923 3.251 20 0 EGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423182659 309389297 /nfs/dbraw/zinc/38/92/97/309389297.db2.gz QXHKIGJJFXRBTO-INIZCTEOSA-N 2 0 341.952 3.096 20 0 EGADRP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423201865 309390287 /nfs/dbraw/zinc/39/02/87/309390287.db2.gz PZBJCSDFZLECNU-INIZCTEOSA-N 2 0 338.455 3.173 20 0 EGADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423217567 309390934 /nfs/dbraw/zinc/39/09/34/309390934.db2.gz QHOFLGNIWWIRFT-GJHJYOIJSA-N 3 0 329.532 3.407 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000423251172 309392353 /nfs/dbraw/zinc/39/23/53/309392353.db2.gz RMPWELPUKNUTGF-NWDGAFQWSA-N 2 0 327.266 3.108 20 0 EGADRP COCCC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000423298254 309394440 /nfs/dbraw/zinc/39/44/40/309394440.db2.gz NUOFYXMLSKMBRT-IUODEOHRSA-N 2 0 329.282 3.101 20 0 EGADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423318492 309394984 /nfs/dbraw/zinc/39/49/84/309394984.db2.gz BUHLETTXTIEVHL-GIUOSPMZSA-N 2 0 345.531 3.041 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)CCC2 ZINC000423321053 309395238 /nfs/dbraw/zinc/39/52/38/309395238.db2.gz FXNOBTCZXBPVTQ-CQSZACIVSA-N 2 0 334.460 3.121 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC000423348469 309396321 /nfs/dbraw/zinc/39/63/21/309396321.db2.gz TXDSRVMPTXZBNW-GGPKGHCWSA-N 2 0 330.472 3.148 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423355995 309396783 /nfs/dbraw/zinc/39/67/83/309396783.db2.gz GGWXSOXAPXZHDY-RZQQEMMASA-N 2 0 337.467 3.272 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000423366430 309397152 /nfs/dbraw/zinc/39/71/52/309397152.db2.gz LJNYTYCDWPOHGI-OHQAAIJDSA-N 2 0 338.442 3.204 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(OCC[NH+](C)C)c1 ZINC000423369523 309397383 /nfs/dbraw/zinc/39/73/83/309397383.db2.gz FAGOKUKFLMQFFF-MRXNPFEDSA-N 3 0 339.483 3.081 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H](C)[NH3+] ZINC000423389205 309398272 /nfs/dbraw/zinc/39/82/72/309398272.db2.gz LGXCANLAHCERBQ-BWPNAZKDSA-N 2 0 345.531 3.117 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cc(Br)cs2)CC[NH2+]CC1 ZINC000423400037 309398539 /nfs/dbraw/zinc/39/85/39/309398539.db2.gz FKEMGRHPNAQRGO-LLVKDONJSA-N 2 0 347.322 3.177 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000423453183 309400910 /nfs/dbraw/zinc/40/09/10/309400910.db2.gz AGVNFHPEPOYYSB-VUCTXSBTSA-N 2 0 337.305 3.414 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000423471575 309401532 /nfs/dbraw/zinc/40/15/32/309401532.db2.gz MNBZYOYBOGFBCR-SOUVJXGZSA-N 2 0 334.460 3.249 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423476818 309401620 /nfs/dbraw/zinc/40/16/20/309401620.db2.gz RSYXPTRPLPSJFY-BFHYXJOUSA-N 2 0 333.867 3.089 20 0 EGADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000423504709 309403554 /nfs/dbraw/zinc/40/35/54/309403554.db2.gz NUNUIOKTAQOJDL-OXQOHEQNSA-N 2 0 335.455 3.398 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535188 309405486 /nfs/dbraw/zinc/40/54/86/309405486.db2.gz CHAFDNCFVGNYME-MRXNPFEDSA-N 2 0 339.252 3.475 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)c3coc(C[NH3+])c3)c2)CC1 ZINC000423835331 309415577 /nfs/dbraw/zinc/41/55/77/309415577.db2.gz DIINABSTLURMCQ-UHFFFAOYSA-N 2 0 341.455 3.265 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424128474 309430211 /nfs/dbraw/zinc/43/02/11/309430211.db2.gz FMPQCEJNPUGBCF-SFHVURJKSA-N 2 0 337.552 3.397 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000430592342 309612139 /nfs/dbraw/zinc/61/21/39/309612139.db2.gz QHEIOICYKJEOJZ-IRXDYDNUSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000430720352 309616087 /nfs/dbraw/zinc/61/60/87/309616087.db2.gz JBBSTZPNMVNAMO-BHIYHBOVSA-N 2 0 330.520 3.138 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000430850726 309619375 /nfs/dbraw/zinc/61/93/75/309619375.db2.gz WTPSGFFRZLSWIR-PMACEKPBSA-N 2 0 343.515 3.065 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430960330 309622263 /nfs/dbraw/zinc/62/22/63/309622263.db2.gz IJRMINBTEIYUOL-IAGOWNOFSA-N 2 0 345.531 3.122 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000433121430 309679360 /nfs/dbraw/zinc/67/93/60/309679360.db2.gz RRBGNKQVMCSWDB-UHFFFAOYSA-N 2 0 345.487 3.150 20 0 EGADRP CC(C)(C)C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433120721 309679423 /nfs/dbraw/zinc/67/94/23/309679423.db2.gz KZTOMEWLHZVEQN-LJQANCHMSA-N 2 0 345.531 3.483 20 0 EGADRP CCC(CC)(CNC(=O)[C@H](C[NH3+])C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000433171860 309680514 /nfs/dbraw/zinc/68/05/14/309680514.db2.gz FNOJMJITYQRLGV-FUHWJXTLSA-N 2 0 333.520 3.243 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000433297846 309685042 /nfs/dbraw/zinc/68/50/42/309685042.db2.gz MQNBQFBRNOHRMU-IRXDYDNUSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000437022195 309785820 /nfs/dbraw/zinc/78/58/20/309785820.db2.gz NNNWGDJPMJJJFN-AEFFLSMTSA-N 2 0 332.488 3.094 20 0 EGADRP COc1ccc(-n2cc(C[NH+]3CCC(CC[NH+](C)C)CC3)cn2)cc1 ZINC000449014439 310029089 /nfs/dbraw/zinc/02/90/89/310029089.db2.gz HVIOYMUJYKPNPQ-UHFFFAOYSA-N 2 0 342.487 3.045 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449095537 310036666 /nfs/dbraw/zinc/03/66/66/310036666.db2.gz ZETLDVPRNTYFNC-OAHLLOKOSA-N 2 0 330.451 3.048 20 0 EGADRP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000449163222 310041445 /nfs/dbraw/zinc/04/14/45/310041445.db2.gz VMAXABKTRXTTGX-GJZGRUSLSA-N 2 0 338.442 3.159 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@]2(C)CO)CC1 ZINC000449178137 310042532 /nfs/dbraw/zinc/04/25/32/310042532.db2.gz UHLJPIKCGADKPS-QMMLZNLJSA-N 2 0 330.516 3.223 20 0 EGADRP CSCC1CCC([NH2+]Cc2ccncc2OCC[NH+](C)C)CC1 ZINC000449330765 310053940 /nfs/dbraw/zinc/05/39/40/310053940.db2.gz VKHCFPKDRRXVSI-UHFFFAOYSA-N 2 0 337.533 3.033 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000449335059 310054407 /nfs/dbraw/zinc/05/44/07/310054407.db2.gz YLCKZIRMZXANPX-SESVDKBCSA-N 2 0 344.543 3.470 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)CC2)C1 ZINC000449505541 310067653 /nfs/dbraw/zinc/06/76/53/310067653.db2.gz JXMUTUZMJXPLSF-CGRMTHRGSA-N 2 0 334.548 3.416 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000449745550 310083924 /nfs/dbraw/zinc/08/39/24/310083924.db2.gz NUBOGWMKXHGLRO-MRXNPFEDSA-N 2 0 337.939 3.449 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000449753099 310084442 /nfs/dbraw/zinc/08/44/42/310084442.db2.gz NRYJXVXUTZOFHZ-UHFFFAOYSA-N 2 0 341.499 3.452 20 0 EGADRP CCc1ccc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000450343599 310116714 /nfs/dbraw/zinc/11/67/14/310116714.db2.gz YEZIRQXSHFKVDW-KRWDZBQOSA-N 2 0 339.483 3.132 20 0 EGADRP C[N@@H+](CCc1cscn1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000450656213 310135560 /nfs/dbraw/zinc/13/55/60/310135560.db2.gz VFGWOXPQBNRGJY-UHFFFAOYSA-N 2 0 330.501 3.319 20 0 EGADRP CCO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451551485 310185554 /nfs/dbraw/zinc/18/55/54/310185554.db2.gz XYHREWHEYLRTFD-NCQGUEQISA-N 2 0 340.552 3.116 20 0 EGADRP CO[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561650 310186601 /nfs/dbraw/zinc/18/66/01/310186601.db2.gz IHCKGAIJULOCCS-BNPWSIICSA-N 2 0 338.536 3.036 20 0 EGADRP CC1CC[NH+](CCN2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000451703555 310193483 /nfs/dbraw/zinc/19/34/83/310193483.db2.gz FEWRDYMNCDNESX-HXUWFJFHSA-N 2 0 329.532 3.172 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453077675 310256570 /nfs/dbraw/zinc/25/65/70/310256570.db2.gz BIFZDPFRMNYKAA-QHAWAJNXSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCOC1 ZINC000453134344 310260157 /nfs/dbraw/zinc/26/01/57/310260157.db2.gz ZMYCFXAYRNAUAY-JSXRDJHFSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@H](c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453339503 310271791 /nfs/dbraw/zinc/27/17/91/310271791.db2.gz BVMQTQDWRPILPQ-YLJYHZDGSA-N 2 0 332.488 3.191 20 0 EGADRP C[N@H+](CCCC[NH2+]C1CCN(c2ccc(F)cc2F)CC1)C1CC1 ZINC000453415038 310275821 /nfs/dbraw/zinc/27/58/21/310275821.db2.gz WZJNFECDIRVWNV-UHFFFAOYSA-N 2 0 337.458 3.398 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455872153 310380562 /nfs/dbraw/zinc/38/05/62/310380562.db2.gz YPSIEALRUYBKOU-HNAYVOBHSA-N 2 0 346.519 3.477 20 0 EGADRP CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455893118 310381455 /nfs/dbraw/zinc/38/14/55/310381455.db2.gz CKHSBXZPZRMLBY-IBGZPJMESA-N 2 0 344.503 3.231 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000487472180 311025151 /nfs/dbraw/zinc/02/51/51/311025151.db2.gz WAWGXJUAFIOYCV-QUCCMNQESA-N 2 0 343.515 3.274 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC1 ZINC000488872659 311083017 /nfs/dbraw/zinc/08/30/17/311083017.db2.gz SIZVOOBPYHLNOI-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000492695894 311281285 /nfs/dbraw/zinc/28/12/85/311281285.db2.gz KHWCPKOEYQDLME-IAGOWNOFSA-N 2 0 337.508 3.064 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)NC(=O)OC(C)(C)C ZINC000494555427 311489047 /nfs/dbraw/zinc/48/90/47/311489047.db2.gz QRNQZHSUKDVRQY-GJZGRUSLSA-N 2 0 339.524 3.285 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000495818260 311616401 /nfs/dbraw/zinc/61/64/01/311616401.db2.gz QJKBNABHOXSHFE-VUROTCPHSA-N 2 0 339.524 3.285 20 0 EGADRP [NH3+]C1(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCCCC1 ZINC000496723330 311755347 /nfs/dbraw/zinc/75/53/47/311755347.db2.gz UCWKKQGJSCMZTF-KRWDZBQOSA-N 2 0 345.487 3.291 20 0 EGADRP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000507494614 312074948 /nfs/dbraw/zinc/07/49/48/312074948.db2.gz KDXDMSUQOZXFGG-KRWDZBQOSA-N 2 0 347.469 3.257 20 0 EGADRP CC[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714052 312100780 /nfs/dbraw/zinc/10/07/80/312100780.db2.gz GUXVYZBBZBOGMO-HLAWJBBLSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000508878911 312104482 /nfs/dbraw/zinc/10/44/82/312104482.db2.gz OCONVWUASJRTJA-GCJKJVERSA-N 2 0 341.543 3.412 20 0 EGADRP Cc1ccc([C@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000511657001 312165922 /nfs/dbraw/zinc/16/59/22/312165922.db2.gz DOHNSALJUSOPMI-SFHVURJKSA-N 2 0 345.531 3.285 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1F ZINC000512187742 312178496 /nfs/dbraw/zinc/17/84/96/312178496.db2.gz RXYNHBBWWOCFER-CALCHBBNSA-N 2 0 334.479 3.455 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000515430228 312282491 /nfs/dbraw/zinc/28/24/91/312282491.db2.gz RXADQFBQZWHRLJ-UHFFFAOYSA-N 2 0 345.531 3.141 20 0 EGADRP COC1CC[NH+](C2(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)CCCC2)CC1 ZINC000520565007 312511381 /nfs/dbraw/zinc/51/13/81/312511381.db2.gz ZICXMVAEAVWNQG-WOJBJXKFSA-N 2 0 343.515 3.144 20 0 EGADRP COc1ccc(Br)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000087790477 454089273 /nfs/dbraw/zinc/08/92/73/454089273.db2.gz YVLANPJZUXPTRC-LLVKDONJSA-N 2 0 327.266 3.017 20 0 EGADRP Fc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000529539856 313349960 /nfs/dbraw/zinc/34/99/60/313349960.db2.gz AKBVTZGUSAXSPB-UHFFFAOYSA-N 2 0 343.446 3.028 20 0 EGADRP c1cn2c(cccc2CN2CCN(c3cccc4[nH]ccc43)CC2)n1 ZINC000529669402 313382699 /nfs/dbraw/zinc/38/26/99/313382699.db2.gz MMCFMJUTYKZOBP-UHFFFAOYSA-N 2 0 331.423 3.138 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@@H](C)C[C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000530214785 313498305 /nfs/dbraw/zinc/49/83/05/313498305.db2.gz YCRAQFZNLQMOBU-KGLIPLIRSA-N 2 0 336.476 3.018 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992148 314222299 /nfs/dbraw/zinc/22/22/99/314222299.db2.gz YMACMKVTYNPWMF-YUXAGFNASA-N 2 0 343.559 3.389 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000538761200 314273855 /nfs/dbraw/zinc/27/38/55/314273855.db2.gz PRDRUPFVDFQSBW-HXUWFJFHSA-N 2 0 345.531 3.074 20 0 EGADRP COc1ccccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000538763101 314274064 /nfs/dbraw/zinc/27/40/64/314274064.db2.gz GFKATCIUNPMGFV-ROUUACIJSA-N 2 0 346.515 3.407 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000539070496 314293732 /nfs/dbraw/zinc/29/37/32/314293732.db2.gz LZWXOIAIEKCCOD-DYESRHJHSA-N 2 0 330.516 3.128 20 0 EGADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539075857 314294747 /nfs/dbraw/zinc/29/47/47/314294747.db2.gz NCFDGHWZRUVUPQ-UXHICEINSA-N 2 0 345.531 3.282 20 0 EGADRP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000539294368 314304630 /nfs/dbraw/zinc/30/46/30/314304630.db2.gz CCQRMGWWBAUBDL-QRWLVFNGSA-N 2 0 332.488 3.235 20 0 EGADRP CC(C)[C@@H]1C[NH+](CCCC[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550187657 315119870 /nfs/dbraw/zinc/11/98/70/315119870.db2.gz GXEIKFSJOGYNKA-BGYRXZFFSA-N 2 0 340.552 3.260 20 0 EGADRP CSc1ccc([C@H](CNC2CC[NH+](CC3CC3)CC2)[NH+](C)C)cc1 ZINC000551310428 315149677 /nfs/dbraw/zinc/14/96/77/315149677.db2.gz FXCIPCUNXFTTSS-FQEVSTJZSA-N 2 0 347.572 3.475 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000551833320 315171105 /nfs/dbraw/zinc/17/11/05/315171105.db2.gz WMKBEOCTAUOANA-IBGZPJMESA-N 2 0 343.515 3.019 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000552246065 315208487 /nfs/dbraw/zinc/20/84/87/315208487.db2.gz HIOQCIAXGNCLTM-MWXLCCTBSA-N 3 0 329.532 3.361 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)[C@H](c2ccccc2)C1 ZINC000554049424 315295507 /nfs/dbraw/zinc/29/55/07/315295507.db2.gz QYVCRNRHVVTBEN-NJYVYQBISA-N 2 0 327.516 3.143 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@H](c2ccccc2)C1 ZINC000554724539 315345778 /nfs/dbraw/zinc/34/57/78/315345778.db2.gz JRIBBDRSWXYIJA-WOZUAGRISA-N 2 0 327.516 3.143 20 0 EGADRP Fc1ccc([C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1F ZINC000563891409 316086885 /nfs/dbraw/zinc/08/68/85/316086885.db2.gz DTSIVOSGJMPQAI-HXUWFJFHSA-N 2 0 344.405 3.184 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000564201065 316122912 /nfs/dbraw/zinc/12/29/12/316122912.db2.gz PDGGVXVRJLGHCN-GFCCVEGCSA-N 2 0 335.398 3.343 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000564211640 316124078 /nfs/dbraw/zinc/12/40/78/316124078.db2.gz VBDROZPWDWCQEK-BEFAXECRSA-N 2 0 333.545 3.011 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319470 316135335 /nfs/dbraw/zinc/13/53/35/316135335.db2.gz SNOLSPAYLBNFMQ-SESVDKBCSA-N 2 0 329.532 3.217 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000564929102 316233112 /nfs/dbraw/zinc/23/31/12/316233112.db2.gz BSYGFHBVLCIZRS-OALUTQOASA-N 2 0 343.515 3.190 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000565049428 316255839 /nfs/dbraw/zinc/25/58/39/316255839.db2.gz PQJBISRBSITQSR-ZIFCJYIRSA-N 2 0 336.545 3.361 20 0 EGADRP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000565308492 316307554 /nfs/dbraw/zinc/30/75/54/316307554.db2.gz VRDZKAWBYTYXJA-GJZGRUSLSA-N 2 0 329.419 3.302 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565315062 316308614 /nfs/dbraw/zinc/30/86/14/316308614.db2.gz LIBULCGCKCMNGF-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000565526486 316335722 /nfs/dbraw/zinc/33/57/22/316335722.db2.gz WQFQJROTMBWRTB-FQEVSTJZSA-N 2 0 347.466 3.163 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000565568201 316339864 /nfs/dbraw/zinc/33/98/64/316339864.db2.gz WMHOXMVVWBQUIV-IBGZPJMESA-N 2 0 347.522 3.153 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000565652204 316351833 /nfs/dbraw/zinc/35/18/33/316351833.db2.gz AOKZWBKISMVGIB-SIKLNZKXSA-N 2 0 340.511 3.311 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCN([C@H](C)c4ccccc4)C3)cc12 ZINC000565674112 316355283 /nfs/dbraw/zinc/35/52/83/316355283.db2.gz GOOBHSIRNCMYFD-VQIMIIECSA-N 2 0 349.482 3.202 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000565690424 316356128 /nfs/dbraw/zinc/35/61/28/316356128.db2.gz TXBDLEIXEXEJKA-UZKOGDIHSA-N 2 0 341.543 3.361 20 0 EGADRP Fc1ccc(Br)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000566229438 316439426 /nfs/dbraw/zinc/43/94/26/316439426.db2.gz BZXBJAVOLKXRAD-ZDUSSCGKSA-N 2 0 341.268 3.410 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000567678263 316653071 /nfs/dbraw/zinc/65/30/71/316653071.db2.gz OJFBFACOMRVYNT-SFHLNBCPSA-N 2 0 332.532 3.328 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000567982831 316705188 /nfs/dbraw/zinc/70/51/88/316705188.db2.gz VLQITRZHVMWWSF-MSOLQXFVSA-N 2 0 345.874 3.067 20 0 EGADRP Cc1cnccc1CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000569689752 316949638 /nfs/dbraw/zinc/94/96/38/316949638.db2.gz UZWUAIILKJMSPC-OALUTQOASA-N 2 0 345.531 3.144 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000570088592 317005410 /nfs/dbraw/zinc/00/54/10/317005410.db2.gz JWTDDRGBXHXGJB-JKSUJKDBSA-N 2 0 339.911 3.083 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000570941787 317130975 /nfs/dbraw/zinc/13/09/75/317130975.db2.gz LALCZKGQWWYHAL-HOTGVXAUSA-N 2 0 326.488 3.357 20 0 EGADRP CC(C)c1ccc2occ(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2c1 ZINC000570993666 317137128 /nfs/dbraw/zinc/13/71/28/317137128.db2.gz YMQCQIDVWHIHJE-UHFFFAOYSA-N 2 0 345.487 3.122 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000571382664 317190908 /nfs/dbraw/zinc/19/09/08/317190908.db2.gz HVMIOJFYVONCRH-HNNXBMFYSA-N 2 0 343.471 3.072 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000572148133 317298503 /nfs/dbraw/zinc/29/85/03/317298503.db2.gz OCGBSDAEDVYKCP-HWOWSKLDSA-N 2 0 330.394 3.292 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000572354934 317326104 /nfs/dbraw/zinc/32/61/04/317326104.db2.gz UTJPMWXRHKEOKX-IUCAKERBSA-N 2 0 337.208 3.266 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000573191536 317449510 /nfs/dbraw/zinc/44/95/10/317449510.db2.gz LDKWEZGPAFQHPY-MRXNPFEDSA-N 2 0 335.467 3.399 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000177211440 323337858 /nfs/dbraw/zinc/33/78/58/323337858.db2.gz ZCEVFQUKIALOCQ-ZDUSSCGKSA-N 2 0 329.282 3.068 20 0 EGADRP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178159163 323351588 /nfs/dbraw/zinc/35/15/88/323351588.db2.gz PVGDURYZAAGZMN-OAQYLSRUSA-N 2 0 330.516 3.488 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379680652 324242189 /nfs/dbraw/zinc/24/21/89/324242189.db2.gz NJLUXDYFLMEBQJ-WMZOPIPTSA-N 2 0 333.520 3.037 20 0 EGADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)O1 ZINC000383747907 324257209 /nfs/dbraw/zinc/25/72/09/324257209.db2.gz ZCVISPXQAVXIOW-MTQWCTHYSA-N 2 0 328.500 3.444 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000395715341 324292936 /nfs/dbraw/zinc/29/29/36/324292936.db2.gz KRRRQHVTNJZLGY-GOSISDBHSA-N 2 0 333.520 3.169 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000576397485 324606183 /nfs/dbraw/zinc/60/61/83/324606183.db2.gz QCUDSNQZNKQLTC-XUVXKRRUSA-N 2 0 345.531 3.483 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cncnc2C)cc1 ZINC000577232278 324768978 /nfs/dbraw/zinc/76/89/78/324768978.db2.gz YKPQMMHCVYRBBO-MRXNPFEDSA-N 2 0 342.487 3.356 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000577370151 324795301 /nfs/dbraw/zinc/79/53/01/324795301.db2.gz VVWLMTMOJDQAES-ULQDDVLXSA-N 2 0 346.519 3.075 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)C1 ZINC000578337581 324955537 /nfs/dbraw/zinc/95/55/37/324955537.db2.gz KWGDHYKRSGFARE-OALUTQOASA-N 2 0 334.467 3.444 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000578765157 325015783 /nfs/dbraw/zinc/01/57/83/325015783.db2.gz KEFRHKYDCFUMDM-IMFGXOCKSA-N 2 0 343.515 3.236 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000579469722 325115236 /nfs/dbraw/zinc/11/52/36/325115236.db2.gz NOFCNZVBCNGOSV-INIZCTEOSA-N 2 0 344.503 3.310 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@@H](C)C1 ZINC000579733401 325152847 /nfs/dbraw/zinc/15/28/47/325152847.db2.gz CEZNFWIJKRWXPL-ROUUACIJSA-N 2 0 340.552 3.044 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580740234 325290271 /nfs/dbraw/zinc/29/02/71/325290271.db2.gz IIMLZCBGMJXZDE-SFHVURJKSA-N 2 0 339.483 3.407 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000580976060 325315843 /nfs/dbraw/zinc/31/58/43/325315843.db2.gz SHTOCPXCAFKTAL-DOIPELPJSA-N 2 0 328.500 3.446 20 0 EGADRP Cc1cccc(CC[C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000581511962 325367090 /nfs/dbraw/zinc/36/70/90/325367090.db2.gz JUJHXMGSZAWVJI-GOSISDBHSA-N 2 0 341.499 3.441 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000582959010 325483763 /nfs/dbraw/zinc/48/37/63/325483763.db2.gz SUSABSDEMSJIGT-ZDUSSCGKSA-N 2 0 345.878 3.190 20 0 EGADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1F ZINC000583088892 325494577 /nfs/dbraw/zinc/49/45/77/325494577.db2.gz AQVAWWDEPNVTLG-PMACEKPBSA-N 2 0 344.405 3.230 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000237881621 455228755 /nfs/dbraw/zinc/22/87/55/455228755.db2.gz FSAPZCGXYXRHDC-HXUWFJFHSA-N 2 0 337.467 3.021 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000423491059 458442715 /nfs/dbraw/zinc/44/27/15/458442715.db2.gz JAAMZJGTSRZHHO-KYOSRNDESA-N 2 0 339.277 3.380 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1[NH2+]CCc2ccccc21 ZINC000238062034 455249993 /nfs/dbraw/zinc/24/99/93/455249993.db2.gz YUWWMZACBBHTDN-NRFANRHFSA-N 2 0 349.478 3.498 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496765416 459315813 /nfs/dbraw/zinc/31/58/13/459315813.db2.gz XADAWKRGTQFPDW-WXLSXGNJSA-N 2 0 327.513 3.141 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000483829922 459394958 /nfs/dbraw/zinc/39/49/58/459394958.db2.gz BPMMUPWKPYNOHZ-XJKCOSOUSA-N 2 0 341.293 3.146 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000631827444 460575225 /nfs/dbraw/zinc/57/52/25/460575225.db2.gz OOQXEVFJUSSPLF-DLBZAZTESA-N 2 0 341.455 3.172 20 0 EGADRP COC(=O)CCCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000600712683 460575286 /nfs/dbraw/zinc/57/52/86/460575286.db2.gz ZYZVTQIENAHJHZ-OALUTQOASA-N 2 0 332.488 3.002 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)o1 ZINC000053231928 453866593 /nfs/dbraw/zinc/86/65/93/453866593.db2.gz QJWQYAKPSHLVNR-UHFFFAOYSA-N 2 0 349.519 3.314 20 0 EGADRP C[C@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000081732203 453906021 /nfs/dbraw/zinc/90/60/21/453906021.db2.gz YDQPETCYMDBBSI-AWEZNQCLSA-N 2 0 345.487 3.201 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000082063280 453922104 /nfs/dbraw/zinc/92/21/04/453922104.db2.gz WPPQVXWZEBWCFW-QFIPXVFZSA-N 2 0 337.511 3.198 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000068007712 453988836 /nfs/dbraw/zinc/98/88/36/453988836.db2.gz MTPPGBOMWRJFNW-GOSISDBHSA-N 2 0 343.515 3.277 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1C ZINC000076329172 453989428 /nfs/dbraw/zinc/98/94/28/453989428.db2.gz OWMKJGAWIWXHQM-GOSISDBHSA-N 2 0 346.519 3.183 20 0 EGADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523506 454064226 /nfs/dbraw/zinc/06/42/26/454064226.db2.gz NKBNAKZARZEHNX-HXUWFJFHSA-N 2 0 345.531 3.260 20 0 EGADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1OC(F)F ZINC000056522725 454064259 /nfs/dbraw/zinc/06/42/59/454064259.db2.gz PSCHCUQOFSTPDQ-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000069493071 454112545 /nfs/dbraw/zinc/11/25/45/454112545.db2.gz PPLKFRKWXMDRGW-CYBMUJFWSA-N 2 0 330.394 3.060 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000130963898 454227879 /nfs/dbraw/zinc/22/78/79/454227879.db2.gz VYPIZTGGTIRSLF-MRXNPFEDSA-N 2 0 328.460 3.157 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccco2)CC1 ZINC000089977337 454251820 /nfs/dbraw/zinc/25/18/20/454251820.db2.gz OPMJBLCLDKTVFV-KRWDZBQOSA-N 2 0 327.472 3.268 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000090038686 454265694 /nfs/dbraw/zinc/26/56/94/454265694.db2.gz OZWXQFXWXFJJGW-VQTJNVASSA-N 2 0 343.515 3.036 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000090234750 454296086 /nfs/dbraw/zinc/29/60/86/454296086.db2.gz NVCXUXSGAQOASI-HIFRSBDPSA-N 2 0 330.394 3.448 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000046991755 454312919 /nfs/dbraw/zinc/31/29/19/454312919.db2.gz JEZPAGHBIBRFRW-KRWDZBQOSA-N 2 0 349.519 3.363 20 0 EGADRP CC(C[NH+](C)CCC1CCOCC1)C[N@H+](C)CCC1CCOCC1 ZINC000120714082 454338468 /nfs/dbraw/zinc/33/84/68/454338468.db2.gz JJABNLUWVAFEHN-UHFFFAOYSA-N 2 0 340.552 3.120 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)N1CC[NH+](C)CC1 ZINC000132453874 454340474 /nfs/dbraw/zinc/34/04/74/454340474.db2.gz IXJLNQYSPJEYSH-QZTJIDSGSA-N 2 0 333.520 3.155 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1C ZINC000090937473 454352851 /nfs/dbraw/zinc/35/28/51/454352851.db2.gz MNHXZPYAISEUDR-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121004683 454375778 /nfs/dbraw/zinc/37/57/78/454375778.db2.gz KPGFQPPSZDMZKC-SNRMKQJTSA-N 2 0 325.456 3.282 20 0 EGADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000073032957 454385479 /nfs/dbraw/zinc/38/54/79/454385479.db2.gz QNFXVQPIWQDGCD-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP COc1cccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000097021371 454389416 /nfs/dbraw/zinc/38/94/16/454389416.db2.gz LGAGECULEWBOGN-SBHAEUEKSA-N 2 0 343.515 3.049 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000097082173 454401524 /nfs/dbraw/zinc/40/15/24/454401524.db2.gz ADJFLHFXAJZXGM-UHFFFAOYSA-N 2 0 330.501 3.210 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(-c2cccs2)n1 ZINC000097095587 454405232 /nfs/dbraw/zinc/40/52/32/454405232.db2.gz VRDLEQRSICEHPM-MRXNPFEDSA-N 2 0 330.501 3.113 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)Cn1ccnc1C)CCCO2 ZINC000121422855 454433223 /nfs/dbraw/zinc/43/32/23/454433223.db2.gz WXHZGPYVNKXVCR-RDTXWAMCSA-N 2 0 329.444 3.340 20 0 EGADRP CCC[NH+]1CCC(NC[C@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC000121729168 454470882 /nfs/dbraw/zinc/47/08/82/454470882.db2.gz XULSQVRWSYQGKV-HXUWFJFHSA-N 2 0 345.531 3.296 20 0 EGADRP COC(=O)c1ccccc1-c1ccc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000133910923 454482580 /nfs/dbraw/zinc/48/25/80/454482580.db2.gz HHEHGGQSJXUDFK-UHFFFAOYSA-N 2 0 342.439 3.165 20 0 EGADRP COc1ccsc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587131 454590397 /nfs/dbraw/zinc/59/03/97/454590397.db2.gz UJHPYCXOYYRWSL-HUUCEWRRSA-N 2 0 338.517 3.078 20 0 EGADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123102382 454602775 /nfs/dbraw/zinc/60/27/75/454602775.db2.gz FMJHUZSNGUISPG-HKUYNNGSSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123183291 454611334 /nfs/dbraw/zinc/61/13/34/454611334.db2.gz JGOCVUGRLCAKRY-KRWDZBQOSA-N 2 0 343.515 3.018 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000092746322 454623934 /nfs/dbraw/zinc/62/39/34/454623934.db2.gz CSWITFUJXQXBLL-HOCLYGCPSA-N 2 0 339.549 3.411 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000092750094 454624751 /nfs/dbraw/zinc/62/47/51/454624751.db2.gz HOHFBOWYPNLLGI-JXFKEZNVSA-N 2 0 347.547 3.382 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123394939 454631913 /nfs/dbraw/zinc/63/19/13/454631913.db2.gz MXSJNZNBKXAKDM-QGZVFWFLSA-N 2 0 331.504 3.376 20 0 EGADRP CCC[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051686404 454635072 /nfs/dbraw/zinc/63/50/72/454635072.db2.gz SGMNFOFQGIFBHV-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000634997370 460645482 /nfs/dbraw/zinc/64/54/82/460645482.db2.gz JSWWUQFGRPXDSW-ZCFNDQFVSA-N 2 0 335.289 3.207 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccccc2C)CC1 ZINC000052209074 454661051 /nfs/dbraw/zinc/66/10/51/454661051.db2.gz BUIAIGJYEIWHQC-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000052209001 454661459 /nfs/dbraw/zinc/66/14/59/454661459.db2.gz WGGASULCRWIMNJ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H](N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000635004037 460646919 /nfs/dbraw/zinc/64/69/19/460646919.db2.gz MSUNQOYFIDOGDF-APHBMKBZSA-N 2 0 329.410 3.038 20 0 EGADRP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000635004930 460648474 /nfs/dbraw/zinc/64/84/74/460648474.db2.gz RFPHMQFMJHJHGU-FCLJQHQZSA-N 2 0 341.421 3.181 20 0 EGADRP CN(C)c1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000093769327 454734639 /nfs/dbraw/zinc/73/46/39/454734639.db2.gz SGPNIENSIVFELZ-UHFFFAOYSA-N 2 0 336.549 3.297 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1F ZINC000124460558 454736458 /nfs/dbraw/zinc/73/64/58/454736458.db2.gz JFULBTONJIFPEF-IBGZPJMESA-N 2 0 339.474 3.279 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093844521 454738909 /nfs/dbraw/zinc/73/89/09/454738909.db2.gz DJJMCXAYFYJECB-KRWDZBQOSA-N 2 0 341.503 3.206 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124486697 454739127 /nfs/dbraw/zinc/73/91/27/454739127.db2.gz KMFCUZBSTBHIDW-SFHVURJKSA-N 2 0 347.547 3.398 20 0 EGADRP Cc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c2cc(F)ccc2[nH+]1 ZINC000124736402 454765755 /nfs/dbraw/zinc/76/57/55/454765755.db2.gz LGHRQVGXZBRRIG-HNNXBMFYSA-N 2 0 345.462 3.211 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(OCC[NH+](C)C)cc1 ZINC000124834751 454774891 /nfs/dbraw/zinc/77/48/91/454774891.db2.gz BHRBTZORXSKNAB-GEALJGNFSA-N 2 0 332.488 3.235 20 0 EGADRP c1cncc([C@H]2CCC[C@@H](Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)C2)c1 ZINC000635011610 460654386 /nfs/dbraw/zinc/65/43/86/460654386.db2.gz OBNHKMBRJZRCQO-FUHWJXTLSA-N 2 0 337.471 3.025 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139939219 454814160 /nfs/dbraw/zinc/81/41/60/454814160.db2.gz INRJYRZTVGNXNS-WBVHZDCISA-N 2 0 347.528 3.153 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000125370567 454816970 /nfs/dbraw/zinc/81/69/70/454816970.db2.gz DFYDMTWQZMEGHK-HNNXBMFYSA-N 2 0 331.460 3.026 20 0 EGADRP CCC[C@@H](CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000125508464 454828202 /nfs/dbraw/zinc/82/82/02/454828202.db2.gz QHSBRJHHBPVBGT-RBUKOAKNSA-N 2 0 331.504 3.052 20 0 EGADRP C[NH+]1CCC(Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000177236245 454841306 /nfs/dbraw/zinc/84/13/06/454841306.db2.gz CLZSIYCPRZSQCW-UHFFFAOYSA-N 2 0 344.503 3.007 20 0 EGADRP CCC[C@@H](CC)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000125905455 454855111 /nfs/dbraw/zinc/85/51/11/454855111.db2.gz DICALGMTSHXZAS-LJQANCHMSA-N 2 0 331.504 3.181 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932777 454869646 /nfs/dbraw/zinc/86/96/46/454869646.db2.gz ARUFQGYLPKFYLC-OPYAIIAOSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000164309890 454879715 /nfs/dbraw/zinc/87/97/15/454879715.db2.gz SJBQLHXXYQCWSN-APWZRJJASA-N 2 0 340.467 3.281 20 0 EGADRP C[C@@H](CN[C@@H](C)c1cnn(Cc2ccccc2)c1)C[NH+]1CCCC1 ZINC000165324208 454897742 /nfs/dbraw/zinc/89/77/42/454897742.db2.gz HKDULYZXIDISGV-ROUUACIJSA-N 2 0 326.488 3.314 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000177744466 454898493 /nfs/dbraw/zinc/89/84/93/454898493.db2.gz DQFKXGUFGSRYCP-IHWFROFDSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165367419 454900186 /nfs/dbraw/zinc/90/01/86/454900186.db2.gz PTIFBHUMJVOSKT-GQIGUUNPSA-N 2 0 333.495 3.108 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C[NH2+]CC1CC1)C1CCCCC1 ZINC000165883721 454905577 /nfs/dbraw/zinc/90/55/77/454905577.db2.gz RBYRJYOZSAGYAH-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000126668015 454910611 /nfs/dbraw/zinc/91/06/11/454910611.db2.gz SEAXVEPANLMVEB-INIZCTEOSA-N 2 0 329.513 3.346 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000150963986 454919578 /nfs/dbraw/zinc/91/95/78/454919578.db2.gz GXCVYZAZGLJMOY-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1F ZINC000150978610 454920844 /nfs/dbraw/zinc/92/08/44/454920844.db2.gz JQRFEDGDDFWFDY-SFHVURJKSA-N 2 0 325.447 3.032 20 0 EGADRP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000151031188 454927611 /nfs/dbraw/zinc/92/76/11/454927611.db2.gz WUTFJYADQNAJAY-MRXNPFEDSA-N 2 0 326.440 3.240 20 0 EGADRP Cc1nc2c(s1)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000178039323 454929542 /nfs/dbraw/zinc/92/95/42/454929542.db2.gz PJTZPYIOPKMERH-IJEWVQPXSA-N 2 0 337.533 3.308 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000151101583 454937212 /nfs/dbraw/zinc/93/72/12/454937212.db2.gz RAVWHMPNAXHMPI-HOTGVXAUSA-N 2 0 344.503 3.353 20 0 EGADRP COc1cccc(C[N@H+](CCCn2ccnc2C)C[C@@H]2CCCO2)c1 ZINC000127317101 454953967 /nfs/dbraw/zinc/95/39/67/454953967.db2.gz RIDVWWCURSMCON-FQEVSTJZSA-N 2 0 343.471 3.271 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000127513060 454972475 /nfs/dbraw/zinc/97/24/75/454972475.db2.gz ZBCBIOVYHXALLH-MNOVXSKESA-N 2 0 336.332 3.341 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127682115 454987879 /nfs/dbraw/zinc/98/78/79/454987879.db2.gz LPGLKEFYZBRZIE-KBPBESRZSA-N 2 0 338.565 3.036 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000155625785 455023585 /nfs/dbraw/zinc/02/35/85/455023585.db2.gz VBNROGAPZVEJAD-GJZGRUSLSA-N 2 0 339.524 3.224 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000155672604 455029270 /nfs/dbraw/zinc/02/92/70/455029270.db2.gz DYWCTRWXENSVRH-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000155692317 455032858 /nfs/dbraw/zinc/03/28/58/455032858.db2.gz FUKIPJCJMVDSLI-ROUUACIJSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151859671 455040883 /nfs/dbraw/zinc/04/08/83/455040883.db2.gz OOPJJEKROMNZPS-SFHVURJKSA-N 2 0 347.522 3.297 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1Cl ZINC000128303700 455044405 /nfs/dbraw/zinc/04/44/05/455044405.db2.gz MDYQJRFHBFWXGM-CQSZACIVSA-N 2 0 327.875 3.157 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H](C)Cn1cc(Br)cn1)C(C)C ZINC000155828523 455050501 /nfs/dbraw/zinc/05/05/01/455050501.db2.gz ABVBUACBEDNQCC-CQSZACIVSA-N 2 0 345.329 3.133 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128554059 455067471 /nfs/dbraw/zinc/06/74/71/455067471.db2.gz DTIPXMIQAHAIHZ-NRFANRHFSA-N 2 0 331.548 3.261 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Br ZINC000623654555 460661137 /nfs/dbraw/zinc/66/11/37/460661137.db2.gz CJNILSIFEMLDPM-CQSZACIVSA-N 2 0 341.293 3.279 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000156170244 455089422 /nfs/dbraw/zinc/08/94/22/455089422.db2.gz UZGVGHBYRPVBEI-GIVPXCGWSA-N 2 0 347.547 3.016 20 0 EGADRP Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000156336387 455106825 /nfs/dbraw/zinc/10/68/25/455106825.db2.gz VALYVJNDKGZBJX-GOSISDBHSA-N 2 0 344.503 3.181 20 0 EGADRP CCC[C@@H](C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000180069594 455126881 /nfs/dbraw/zinc/12/68/81/455126881.db2.gz HAMLVPAWUCXOHU-SFTDATJTSA-N 2 0 329.532 3.282 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000157005464 455161142 /nfs/dbraw/zinc/16/11/42/455161142.db2.gz DUNVTUYXTGCENA-WIYYLYMNSA-N 2 0 329.532 3.491 20 0 EGADRP COCCC[NH+]1CCC([NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189307722 455174879 /nfs/dbraw/zinc/17/48/79/455174879.db2.gz UMQAOIACVJXRTK-UHFFFAOYSA-N 2 0 327.472 3.134 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237351159 455175888 /nfs/dbraw/zinc/17/58/88/455175888.db2.gz JKBHMIIAQBUBCI-CRAIPNDOSA-N 2 0 347.528 3.095 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237496714 455189049 /nfs/dbraw/zinc/18/90/49/455189049.db2.gz QSYBZGNBCZVABW-PKOBYXMFSA-N 2 0 331.504 3.237 20 0 EGADRP C[C@@H](CCNC(=O)C[C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237560237 455194834 /nfs/dbraw/zinc/19/48/34/455194834.db2.gz WICURCQDJAYDAO-PXNSSMCTSA-N 2 0 339.483 3.103 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000237592961 455197725 /nfs/dbraw/zinc/19/77/25/455197725.db2.gz HVWBDGOEJZDSDX-IBGZPJMESA-N 2 0 347.528 3.015 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000157517709 455203392 /nfs/dbraw/zinc/20/33/92/455203392.db2.gz LBWJWWIXEYAAHB-GOSISDBHSA-N 2 0 326.488 3.437 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237668024 455205698 /nfs/dbraw/zinc/20/56/98/455205698.db2.gz HCIBYKHVSNICEM-XLIONFOSSA-N 2 0 343.515 3.190 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC3(C[NH3+])CCCCC3)C2)CC1 ZINC000184229575 455364333 /nfs/dbraw/zinc/36/43/33/455364333.db2.gz FVRPZCVHEXCYPJ-IBGZPJMESA-N 2 0 349.563 3.256 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000181627996 455365050 /nfs/dbraw/zinc/36/50/50/455365050.db2.gz IQQFQUWWWSWLOM-WMZOPIPTSA-N 2 0 349.494 3.187 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000184316586 455370286 /nfs/dbraw/zinc/37/02/86/455370286.db2.gz YAAIMDKKGYUNPH-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000174553554 455402965 /nfs/dbraw/zinc/40/29/65/455402965.db2.gz MJPKCAKSJMBRCI-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP FC(F)(F)c1cccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246183679 455443777 /nfs/dbraw/zinc/44/37/77/455443777.db2.gz DECWWMSTUYZVEK-GJZGRUSLSA-N 2 0 328.378 3.301 20 0 EGADRP CC[C@]1(C)C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000191148420 455452911 /nfs/dbraw/zinc/45/29/11/455452911.db2.gz YOAYFOAPSFZETI-OAQYLSRUSA-N 2 0 345.531 3.218 20 0 EGADRP Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246441223 455491658 /nfs/dbraw/zinc/49/16/58/455491658.db2.gz DEOIMMUIDVPBPD-AZUAARDMSA-N 2 0 330.520 3.311 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)[C@H](C)C1 ZINC000185226125 455525050 /nfs/dbraw/zinc/52/50/50/455525050.db2.gz GXFLKJPKLKMPNH-HCXYKTFWSA-N 2 0 340.552 3.305 20 0 EGADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246861870 455531756 /nfs/dbraw/zinc/53/17/56/455531756.db2.gz CCHWCABTVGBOFU-KURKYZTESA-N 2 0 334.504 3.201 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246954078 455538608 /nfs/dbraw/zinc/53/86/08/455538608.db2.gz INMHAHNOFVLWGT-VURPSTOHSA-N 2 0 329.532 3.359 20 0 EGADRP c1c[nH]c([C@@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000267476376 455552124 /nfs/dbraw/zinc/55/21/24/455552124.db2.gz ZHAWNQKVWPWZJK-PMACEKPBSA-N 2 0 342.487 3.333 20 0 EGADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000192101241 455557451 /nfs/dbraw/zinc/55/74/51/455557451.db2.gz SWTRSGKOWROQPV-HOTGVXAUSA-N 2 0 331.504 3.051 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000247164707 455567995 /nfs/dbraw/zinc/56/79/95/455567995.db2.gz XZLFZFIRXVMOFG-BBRMVZONSA-N 2 0 337.895 3.297 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000182730742 455577224 /nfs/dbraw/zinc/57/72/24/455577224.db2.gz YCAJSZWMJMOFFS-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000161542468 455579915 /nfs/dbraw/zinc/57/99/15/455579915.db2.gz QZFYKKNCBJVVKZ-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000182766039 455583086 /nfs/dbraw/zinc/58/30/86/455583086.db2.gz AFEYBHGURJTNET-IBGZPJMESA-N 2 0 331.504 3.047 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C2CCOCC2)CC1 ZINC000182773816 455584567 /nfs/dbraw/zinc/58/45/67/455584567.db2.gz ZERNGZNLUKGAOA-UHFFFAOYSA-N 2 0 339.483 3.407 20 0 EGADRP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000268085166 455590268 /nfs/dbraw/zinc/59/02/68/455590268.db2.gz HLDYCHCNHZFUNZ-HNNXBMFYSA-N 2 0 345.512 3.060 20 0 EGADRP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2c[nH+]cn2c1 ZINC000283797415 455595214 /nfs/dbraw/zinc/59/52/14/455595214.db2.gz GNFNEZQFGWSELS-AZUAARDMSA-N 2 0 346.434 3.091 20 0 EGADRP C[NH+](C)CCCC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000268129726 455596410 /nfs/dbraw/zinc/59/64/10/455596410.db2.gz OXWQAGINNJYJBH-UHFFFAOYSA-N 2 0 347.503 3.416 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000271432576 455634791 /nfs/dbraw/zinc/63/47/91/455634791.db2.gz BECRKMDYTDNTBO-RCCFBDPRSA-N 2 0 332.513 3.191 20 0 EGADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000192590587 455646917 /nfs/dbraw/zinc/64/69/17/455646917.db2.gz BKYBTCWXELHTKX-OXQOHEQNSA-N 2 0 328.456 3.426 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000185897939 455647242 /nfs/dbraw/zinc/64/72/42/455647242.db2.gz KZQLWWMAUCLUFZ-UHFFFAOYSA-N 2 0 325.500 3.346 20 0 EGADRP Cc1ccncc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000271484154 455655466 /nfs/dbraw/zinc/65/54/66/455655466.db2.gz ITUPNZYPDQWTEK-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000271510202 455665143 /nfs/dbraw/zinc/66/51/43/455665143.db2.gz NTMUGTHLUDHCKR-PCCBWWKXSA-N 2 0 328.500 3.422 20 0 EGADRP C[C@@H]1C[C@H](N(C)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000248039658 455672801 /nfs/dbraw/zinc/67/28/01/455672801.db2.gz LWPYVRYFFLFCGS-HMXCVIKNSA-N 2 0 329.532 3.456 20 0 EGADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284396367 455678675 /nfs/dbraw/zinc/67/86/75/455678675.db2.gz PMAAJSXTOMMYDX-MOPGFXCFSA-N 2 0 347.547 3.400 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000268445726 455684079 /nfs/dbraw/zinc/68/40/79/455684079.db2.gz UHHZJPQVYYXIOF-UHFFFAOYSA-N 2 0 330.394 3.030 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC000192838512 455703299 /nfs/dbraw/zinc/70/32/99/455703299.db2.gz UNEAMJBBPZJCMR-UHFFFAOYSA-N 2 0 329.532 3.066 20 0 EGADRP C[C@@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268775876 455712793 /nfs/dbraw/zinc/71/27/93/455712793.db2.gz VTUWREHBNUHQLY-XLIONFOSSA-N 2 0 327.516 3.256 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000271736016 455740003 /nfs/dbraw/zinc/74/00/03/455740003.db2.gz UANJOJWUCRBPAF-UHFFFAOYSA-N 2 0 336.907 3.462 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000271767392 455752296 /nfs/dbraw/zinc/75/22/96/455752296.db2.gz FGCOFACCIHXHEZ-WBVHZDCISA-N 2 0 331.460 3.168 20 0 EGADRP CCN(CC)C(=O)[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000278124520 455764071 /nfs/dbraw/zinc/76/40/71/455764071.db2.gz UCSJDOPOBTYNSV-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000186600429 455803476 /nfs/dbraw/zinc/80/34/76/455803476.db2.gz RTFANXRQXXWBLH-ZWKOTPCHSA-N 2 0 329.532 3.242 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186603644 455804033 /nfs/dbraw/zinc/80/40/33/455804033.db2.gz UHWSBNMIEWIBLI-SJORKVTESA-N 2 0 335.561 3.475 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000269226709 455816494 /nfs/dbraw/zinc/81/64/94/455816494.db2.gz UYLACEFOOVZOMK-VQIMIIECSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000252528033 455820187 /nfs/dbraw/zinc/82/01/87/455820187.db2.gz DYRJVBKATGPLBN-ZHALLVOQSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(CC1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269256353 455822457 /nfs/dbraw/zinc/82/24/57/455822457.db2.gz SFBJYPHNWOFUNE-UHFFFAOYSA-N 2 0 329.488 3.043 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000272177196 455867132 /nfs/dbraw/zinc/86/71/32/455867132.db2.gz JLRNKUMZNULMCT-VQIMIIECSA-N 2 0 340.467 3.401 20 0 EGADRP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000272251443 455892957 /nfs/dbraw/zinc/89/29/57/455892957.db2.gz CCDHTKWMZBOXRB-SJLPKXTDSA-N 2 0 338.455 3.422 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279958 455900577 /nfs/dbraw/zinc/90/05/77/455900577.db2.gz CWEYKJRBNRDVHR-MJUUVYJYSA-N 2 0 327.516 3.113 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC(F)F ZINC000261600212 455910345 /nfs/dbraw/zinc/91/03/45/455910345.db2.gz AZXGMHXUSDCFTN-SOUVJXGZSA-N 2 0 340.414 3.246 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285769243 455912498 /nfs/dbraw/zinc/91/24/98/455912498.db2.gz SRODUHMTVLQJQY-CVEARBPZSA-N 2 0 345.487 3.180 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261613798 455913987 /nfs/dbraw/zinc/91/39/87/455913987.db2.gz CLSSBYWEYHPJOZ-AEFFLSMTSA-N 2 0 344.528 3.164 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000270358602 455936496 /nfs/dbraw/zinc/93/64/96/455936496.db2.gz FYWVFKGZGZOJKT-IBGZPJMESA-N 2 0 329.488 3.402 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187710578 455942218 /nfs/dbraw/zinc/94/22/18/455942218.db2.gz ZSJRQHCUXOHYLG-OAQYLSRUSA-N 2 0 329.532 3.453 20 0 EGADRP O=C(CC[C@@H]1CC[NH2+]C1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000261797257 455950476 /nfs/dbraw/zinc/95/04/76/455950476.db2.gz KSZGCPYXGVBXCC-GOSISDBHSA-N 2 0 343.515 3.069 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261882454 455964980 /nfs/dbraw/zinc/96/49/80/455964980.db2.gz ZHUATWRCSHDFSZ-FFZOFVMBSA-N 2 0 343.515 3.195 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261942004 455974020 /nfs/dbraw/zinc/97/40/20/455974020.db2.gz NQFFHCQCSUMTTI-VQIMIIECSA-N 2 0 341.499 3.389 20 0 EGADRP Cc1ncsc1CN(Cc1scnc1C1CC1)C[C@H]1CC[NH2+]C1 ZINC000261963931 455978429 /nfs/dbraw/zinc/97/84/29/455978429.db2.gz PPOLMDRHDYRKBW-ZDUSSCGKSA-N 2 0 348.541 3.397 20 0 EGADRP C[NH2+]CCC1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000261976955 455980371 /nfs/dbraw/zinc/98/03/71/455980371.db2.gz GJTFMDDNGMRKPE-LBPRGKRZSA-N 2 0 341.858 3.128 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000262017693 455986670 /nfs/dbraw/zinc/98/66/70/455986670.db2.gz XDLUMIRXJLHQMR-LBPRGKRZSA-N 2 0 344.286 3.383 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262098296 455997158 /nfs/dbraw/zinc/99/71/58/455997158.db2.gz IJSJZXAZKPXTNI-FQEVSTJZSA-N 2 0 332.488 3.066 20 0 EGADRP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262142008 456003167 /nfs/dbraw/zinc/00/31/67/456003167.db2.gz PXCDGBBFCMZJOV-QGZVFWFLSA-N 2 0 345.487 3.034 20 0 EGADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000286263277 456011337 /nfs/dbraw/zinc/01/13/37/456011337.db2.gz VBNLVHWNIJGSBZ-HSALFYBXSA-N 2 0 328.500 3.303 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262261773 456018363 /nfs/dbraw/zinc/01/83/63/456018363.db2.gz JMIWCDZNHCEOSY-UPMGZUDPSA-N 2 0 349.563 3.157 20 0 EGADRP CN1CC[C@H](C[NH2+]C2CCC(O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286349707 456029837 /nfs/dbraw/zinc/02/98/37/456029837.db2.gz ZEQFPAQKXGKDAK-RMYJWEKJSA-N 2 0 340.870 3.365 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000280996603 456104147 /nfs/dbraw/zinc/10/41/47/456104147.db2.gz NHYYLHOAFJZUCY-CKEIUWERSA-N 2 0 344.421 3.489 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263261027 456117599 /nfs/dbraw/zinc/11/75/99/456117599.db2.gz MJOFRGSCLJEZHD-XIBWBMNSSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1 ZINC000263319110 456125735 /nfs/dbraw/zinc/12/57/35/456125735.db2.gz ZXWUEYQVLOVEQV-RIFZZMRRSA-N 2 0 331.504 3.140 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2n1 ZINC000333094275 456159949 /nfs/dbraw/zinc/15/99/49/456159949.db2.gz CXQHKTONMTUMPJ-FPOVZHCZSA-N 2 0 339.483 3.262 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000236637157 456161140 /nfs/dbraw/zinc/16/11/40/456161140.db2.gz NKWHQCCAGXOUDF-FQEVSTJZSA-N 2 0 329.488 3.247 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000271208143 456172671 /nfs/dbraw/zinc/17/26/71/456172671.db2.gz GVXSRDQZHDUMAD-GOSISDBHSA-N 2 0 339.487 3.135 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236712700 456173312 /nfs/dbraw/zinc/17/33/12/456173312.db2.gz RXOLULCQNSJTPL-FQEVSTJZSA-N 2 0 345.531 3.341 20 0 EGADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236726014 456175059 /nfs/dbraw/zinc/17/50/59/456175059.db2.gz XFAPQPIXTNRFMZ-QFBILLFUSA-N 2 0 331.504 3.051 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236765001 456180864 /nfs/dbraw/zinc/18/08/64/456180864.db2.gz DXZXCKBYXBXTPX-SJORKVTESA-N 2 0 337.895 3.111 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329124 456186711 /nfs/dbraw/zinc/18/67/11/456186711.db2.gz NUNJQKZXGBVIDL-WBVHZDCISA-N 2 0 342.430 3.176 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236823634 456188903 /nfs/dbraw/zinc/18/89/03/456188903.db2.gz CFTWNXSHDVTZPY-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189040317 456207779 /nfs/dbraw/zinc/20/77/79/456207779.db2.gz MNPZQILVHIBJRS-SFTDATJTSA-N 2 0 329.532 3.015 20 0 EGADRP Cc1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c2cc(F)ccc2[nH+]1 ZINC000333643040 456245332 /nfs/dbraw/zinc/24/53/32/456245332.db2.gz IPFPWMNKLNCNTF-PXNSSMCTSA-N 2 0 343.446 3.405 20 0 EGADRP Nc1nc(NCCC[N@@H+]2CCc3ccccc3C2)nc2ccccc12 ZINC000301900241 456245951 /nfs/dbraw/zinc/24/59/51/456245951.db2.gz YXYOHQCOKSXRBS-UHFFFAOYSA-N 2 0 333.439 3.072 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000275814199 456321698 /nfs/dbraw/zinc/32/16/98/456321698.db2.gz FQOGYKSILQMGAR-AZUAARDMSA-N 2 0 341.503 3.039 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000275822736 456323789 /nfs/dbraw/zinc/32/37/89/456323789.db2.gz RHNKILNFHSHALI-UHFFFAOYSA-N 2 0 334.504 3.326 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1)C(C)C ZINC000275819802 456323894 /nfs/dbraw/zinc/32/38/94/456323894.db2.gz FCGWNARWMOHKCO-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440845 456329035 /nfs/dbraw/zinc/32/90/35/456329035.db2.gz LVFKNWDYKGFRCI-SJLPKXTDSA-N 2 0 330.472 3.248 20 0 EGADRP COc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1O ZINC000290490956 456342817 /nfs/dbraw/zinc/34/28/17/456342817.db2.gz OPVJCBJOBQKAHZ-UHFFFAOYSA-N 2 0 340.467 3.497 20 0 EGADRP COC(=O)c1occc1CNCc1ccccc1C[N@H+](C)C(C)C ZINC000347742739 456343328 /nfs/dbraw/zinc/34/33/28/456343328.db2.gz OKWPMRQZSSZIOJ-UHFFFAOYSA-N 2 0 330.428 3.196 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC000347866600 456413977 /nfs/dbraw/zinc/41/39/77/456413977.db2.gz PKRWOYGYYPMQBQ-FXAWDEMLSA-N 2 0 334.504 3.154 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC000347866608 456415355 /nfs/dbraw/zinc/41/53/55/456415355.db2.gz PKRWOYGYYPMQBQ-YLJYHZDGSA-N 2 0 334.504 3.154 20 0 EGADRP CCOc1cc2[nH+]ccc(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)c2cc1OCC ZINC000302866844 456421967 /nfs/dbraw/zinc/42/19/67/456421967.db2.gz VUMBKWNBQMBKAC-GASCZTMLSA-N 2 0 341.455 3.030 20 0 EGADRP C[N@@H+]1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000340375981 456423233 /nfs/dbraw/zinc/42/32/33/456423233.db2.gz VCDCETLULIVDLA-UEKLYDJUSA-N 2 0 327.516 3.428 20 0 EGADRP COC1CCN(C(C)(C)C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000348033629 456439502 /nfs/dbraw/zinc/43/95/02/456439502.db2.gz BFPMGXYXDOWGPA-IBGZPJMESA-N 2 0 331.504 3.412 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353073630 456472408 /nfs/dbraw/zinc/47/24/08/456472408.db2.gz PYJHKRQVGPVXIY-HNNXBMFYSA-N 2 0 338.565 3.120 20 0 EGADRP c1ccc(NC2CC[NH+](C3CC3)CC2)c(C[NH+]2CCSCC2)c1 ZINC000298528056 456481568 /nfs/dbraw/zinc/48/15/68/456481568.db2.gz RYBAMEYMNPQVCQ-UHFFFAOYSA-N 2 0 331.529 3.274 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc3cccnc32)CC1(C)C ZINC000282363415 456490379 /nfs/dbraw/zinc/49/03/79/456490379.db2.gz NKVKOUDPDIKTNB-UHFFFAOYSA-N 2 0 346.906 3.004 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298580330 456494458 /nfs/dbraw/zinc/49/44/58/456494458.db2.gz XRJJQRZPDSANFA-UHFFFAOYSA-N 2 0 347.466 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000298596329 456498594 /nfs/dbraw/zinc/49/85/94/456498594.db2.gz YTVSOTJYFMQHNZ-OALUTQOASA-N 2 0 345.531 3.122 20 0 EGADRP Fc1ccc(/C=C\CNc2ccc(Cn3ccnc3)cn2)c(F)c1 ZINC000353122048 456504098 /nfs/dbraw/zinc/50/40/98/456504098.db2.gz UGORTSJUTZWGJJ-UPHRSURJSA-N 2 0 326.350 3.152 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2cnc(SC3CCCC3)nc2)CC1 ZINC000340514410 456504485 /nfs/dbraw/zinc/50/44/85/456504485.db2.gz FXMRDTBJLMZKSB-UHFFFAOYSA-N 2 0 334.533 3.128 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282414989 456505991 /nfs/dbraw/zinc/50/59/91/456505991.db2.gz SHUWPDNFQDUKMG-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1noc(CCC[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)n1 ZINC000282556646 456550885 /nfs/dbraw/zinc/55/08/85/456550885.db2.gz TWQUCSJJGBARJI-SFHVURJKSA-N 2 0 342.487 3.201 20 0 EGADRP CSC1(C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC[NH+](C)CC1 ZINC000353196950 456552724 /nfs/dbraw/zinc/55/27/24/456552724.db2.gz VQSXXLAINWYNSZ-UHFFFAOYSA-N 2 0 334.529 3.317 20 0 EGADRP C[C@H](CO)C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000651955829 462391776 /nfs/dbraw/zinc/39/17/76/462391776.db2.gz BEENKHMUFISTFX-GOSISDBHSA-N 2 0 346.515 3.002 20 0 EGADRP CSC1(C[NH2+]Cc2nc3ccc(F)cc3s2)CC[NH+](C)CC1 ZINC000353222955 456570393 /nfs/dbraw/zinc/57/03/93/456570393.db2.gz HUFYXSZUXCKGTA-UHFFFAOYSA-N 2 0 339.505 3.352 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000310184425 456579205 /nfs/dbraw/zinc/57/92/05/456579205.db2.gz YCHJPLDHJPNMDS-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP CCCn1nccc1C1CCN(Cc2ncc(CN(C)C)s2)CC1 ZINC000348292023 456601894 /nfs/dbraw/zinc/60/18/94/456601894.db2.gz WUVYWPRWVMWXIC-UHFFFAOYSA-N 2 0 347.532 3.191 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000353280689 456606418 /nfs/dbraw/zinc/60/64/18/456606418.db2.gz WOXULZGNHUEJES-LSDHHAIUSA-N 2 0 330.463 3.291 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291342406 456612160 /nfs/dbraw/zinc/61/21/60/456612160.db2.gz WYGXILLJMUVYLV-AEFFLSMTSA-N 2 0 344.503 3.131 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000276891821 456612126 /nfs/dbraw/zinc/61/21/26/456612126.db2.gz MJRPDGXMCJBAGJ-MRXNPFEDSA-N 2 0 345.487 3.416 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000343498563 456660311 /nfs/dbraw/zinc/66/03/11/456660311.db2.gz SAXWMWPEUBAGIT-AQNXPRMDSA-N 2 0 345.531 3.099 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C(C)(C)n1cncn1 ZINC000353407506 456681027 /nfs/dbraw/zinc/68/10/27/456681027.db2.gz BRJZCVXEPKKBBP-SJLPKXTDSA-N 2 0 333.524 3.036 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000343570407 456714504 /nfs/dbraw/zinc/71/45/04/456714504.db2.gz MSCLOAZYLRDOIQ-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP OC[C@@]1(Cc2ccccc2)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000291698219 456725365 /nfs/dbraw/zinc/72/53/65/456725365.db2.gz HWEWJVOODYMTEX-OAQYLSRUSA-N 2 0 330.516 3.180 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000283337942 456761233 /nfs/dbraw/zinc/76/12/33/456761233.db2.gz QACDLKYPGWJHJI-LJQANCHMSA-N 2 0 333.495 3.031 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000277335405 456782861 /nfs/dbraw/zinc/78/28/61/456782861.db2.gz UPPNXFIBGXYJPW-AZUAARDMSA-N 2 0 348.556 3.263 20 0 EGADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353616521 456806664 /nfs/dbraw/zinc/80/66/64/456806664.db2.gz AVSSHVYQKVNQPK-SESVDKBCSA-N 2 0 338.499 3.499 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344240350 456809330 /nfs/dbraw/zinc/80/93/30/456809330.db2.gz CSVXABYBINKYTO-YLJYHZDGSA-N 2 0 343.515 3.059 20 0 EGADRP CC1CC[NH+](C[C@@H](O)C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341361236 456854796 /nfs/dbraw/zinc/85/47/96/456854796.db2.gz GGVXNOAVUVAIMM-GPANFISMSA-N 2 0 336.442 3.038 20 0 EGADRP C[C@H]1CCCC[C@@H]1OCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341513982 456872718 /nfs/dbraw/zinc/87/27/18/456872718.db2.gz UYUVXSRZXSFFAB-PXNSSMCTSA-N 2 0 331.504 3.231 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752091 456890407 /nfs/dbraw/zinc/89/04/07/456890407.db2.gz ZWTRDRUSUCXPFK-ZBFHGGJFSA-N 2 0 336.476 3.017 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C[C@@H](C)OC)C(C)C)CC1 ZINC000353777868 456902352 /nfs/dbraw/zinc/90/23/52/456902352.db2.gz ZAWMVUQLJUNNKY-GOSISDBHSA-N 2 0 333.520 3.074 20 0 EGADRP CCCCCOc1ccc(CN2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000353901700 456958432 /nfs/dbraw/zinc/95/84/32/456958432.db2.gz RKWRRCRDPFKPJG-UHFFFAOYSA-N 2 0 342.487 3.297 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000349661143 457009350 /nfs/dbraw/zinc/00/93/50/457009350.db2.gz FDCGELSQGJIZPD-INMHGKMJSA-N 2 0 339.549 3.282 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000349662282 457010932 /nfs/dbraw/zinc/01/09/32/457010932.db2.gz AZKHPQSDGDRYCU-UHFFFAOYSA-N 2 0 339.892 3.069 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cc2c1C ZINC000349676046 457013113 /nfs/dbraw/zinc/01/31/13/457013113.db2.gz ZWYQOPZLCXTWPM-SFHVURJKSA-N 2 0 329.488 3.111 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000339261014 457024978 /nfs/dbraw/zinc/02/49/78/457024978.db2.gz QIWDRLGVERZVBP-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000354069147 457041896 /nfs/dbraw/zinc/04/18/96/457041896.db2.gz YBPCBWMSHQEBQX-ZNXRSXASSA-N 2 0 349.563 3.014 20 0 EGADRP CC[C@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000339358986 457066607 /nfs/dbraw/zinc/06/66/07/457066607.db2.gz BJWLHZCYSRRODM-UYAOXDASSA-N 2 0 345.531 3.278 20 0 EGADRP CC[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000339367946 457071336 /nfs/dbraw/zinc/07/13/36/457071336.db2.gz XYVVCRYOFGBQIZ-IBGZPJMESA-N 2 0 333.520 3.132 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]21 ZINC000342127347 457122523 /nfs/dbraw/zinc/12/25/23/457122523.db2.gz MEYXHOGHWWOHGR-VNQPRFMTSA-N 2 0 328.378 3.187 20 0 EGADRP Fc1ccc(/C=C/C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000349960643 457123328 /nfs/dbraw/zinc/12/33/28/457123328.db2.gz FZFBRCISPWKLIS-OWOJBTEDSA-N 2 0 336.426 3.022 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000359932404 457155320 /nfs/dbraw/zinc/15/53/20/457155320.db2.gz GAPBTCWPVPUFOA-DBXWQHBBSA-N 3 0 329.532 3.491 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCCC1 ZINC000359959289 457172680 /nfs/dbraw/zinc/17/26/80/457172680.db2.gz RCWGSMSYXWSGGQ-HDICACEKSA-N 2 0 346.515 3.345 20 0 EGADRP C[C@@H](CNc1ccncc1Br)[N@H+](C)Cc1ccccc1 ZINC000342231008 457180829 /nfs/dbraw/zinc/18/08/29/457180829.db2.gz WVZKDCPCSOGYNZ-ZDUSSCGKSA-N 2 0 334.261 3.198 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000354389058 457193308 /nfs/dbraw/zinc/19/33/08/457193308.db2.gz WBZGKSXMSPTZOG-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342417230 457292412 /nfs/dbraw/zinc/29/24/12/457292412.db2.gz MPHBICXMTJIZFB-OAHLLOKOSA-N 2 0 347.890 3.396 20 0 EGADRP Clc1ccc(-n2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000357042628 457294754 /nfs/dbraw/zinc/29/47/54/457294754.db2.gz FMTAUQLTTSXZPQ-KRWDZBQOSA-N 2 0 344.890 3.347 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000354744118 457317634 /nfs/dbraw/zinc/31/76/34/457317634.db2.gz HGRRXGZDTCCAJJ-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP Cc1cccc(NCC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000357227908 457385406 /nfs/dbraw/zinc/38/54/06/457385406.db2.gz GWZLATFYYZHGQG-UYAOXDASSA-N 2 0 338.499 3.302 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817165 457413477 /nfs/dbraw/zinc/41/34/77/457413477.db2.gz YNDUQYWQIALTBG-HZPDHXFCSA-N 2 0 328.460 3.380 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000360948859 457456493 /nfs/dbraw/zinc/45/64/93/457456493.db2.gz WSICMUKYFYIGIK-KRWDZBQOSA-N 2 0 344.528 3.314 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c2cccs2)CC1 ZINC000342695175 457461239 /nfs/dbraw/zinc/46/12/39/457461239.db2.gz OYBKPRRTRMGMOG-BRWVUGGUSA-N 2 0 349.544 3.025 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC(F)F ZINC000397296681 457486112 /nfs/dbraw/zinc/48/61/12/457486112.db2.gz BRRFORVBZSSPMQ-BZPMIXESSA-N 2 0 328.403 3.102 20 0 EGADRP Cc1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000399698973 457510595 /nfs/dbraw/zinc/51/05/95/457510595.db2.gz AYEHGAOTPDUMCQ-RTWAWAEBSA-N 2 0 335.495 3.386 20 0 EGADRP Cc1cnc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000342789804 457530764 /nfs/dbraw/zinc/53/07/64/457530764.db2.gz YCXUMGHGHZRVDD-UXHICEINSA-N 2 0 338.499 3.215 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(SC)s1 ZINC000356304741 457562200 /nfs/dbraw/zinc/56/22/00/457562200.db2.gz PSBDXVTWTJVGHG-HNNXBMFYSA-N 2 0 341.590 3.318 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000408506230 457572671 /nfs/dbraw/zinc/57/26/71/457572671.db2.gz FGRRYUWUEIDIEI-GJYPPUQNSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361105685 457584801 /nfs/dbraw/zinc/58/48/01/457584801.db2.gz MNNAYHLDSYBEMV-AZUAARDMSA-N 2 0 326.488 3.164 20 0 EGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000361112725 457588424 /nfs/dbraw/zinc/58/84/24/457588424.db2.gz VTSOKHRPWZDHDX-IAGOWNOFSA-N 2 0 343.515 3.270 20 0 EGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000361112728 457589559 /nfs/dbraw/zinc/58/95/59/457589559.db2.gz VTSOKHRPWZDHDX-SJORKVTESA-N 2 0 343.515 3.270 20 0 EGADRP CSC1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000356429138 457621590 /nfs/dbraw/zinc/62/15/90/457621590.db2.gz ALXQYHQKCBMTEO-UHFFFAOYSA-N 2 0 326.550 3.097 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425917618 457651804 /nfs/dbraw/zinc/65/18/04/457651804.db2.gz MSAMJXWTURDXEN-QGZVFWFLSA-N 2 0 329.488 3.419 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370634879 457687768 /nfs/dbraw/zinc/68/77/68/457687768.db2.gz NHQFMUJPYWZJCE-PKOBYXMFSA-N 2 0 345.531 3.293 20 0 EGADRP CC(C)[NH+](CCCCC[N@@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409235 457721150 /nfs/dbraw/zinc/72/11/50/457721150.db2.gz UFCHNASVGYSJLA-RTBURBONSA-N 2 0 326.525 3.155 20 0 EGADRP CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912513 457732416 /nfs/dbraw/zinc/73/24/16/457732416.db2.gz XSZACTNBURYAHA-CRAIPNDOSA-N 2 0 349.906 3.109 20 0 EGADRP CSc1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000358042737 457749755 /nfs/dbraw/zinc/74/97/55/457749755.db2.gz ZCKBVDXKSYLSQG-UHFFFAOYSA-N 2 0 334.529 3.485 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004298 457751590 /nfs/dbraw/zinc/75/15/90/457751590.db2.gz YCDJZFLAIFUYMM-ICSRJNTNSA-N 2 0 338.499 3.312 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457613440 457764798 /nfs/dbraw/zinc/76/47/98/457764798.db2.gz DMEPMZYWPWKVSV-UHFFFAOYSA-N 2 0 329.488 3.260 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000433217789 457783028 /nfs/dbraw/zinc/78/30/28/457783028.db2.gz DFUPYEKQKHMXOX-IBGZPJMESA-N 2 0 329.488 3.484 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccnc(C[NH3+])c3)c2C1 ZINC000361612204 457806601 /nfs/dbraw/zinc/80/66/01/457806601.db2.gz WCSAJZKDNVXWBW-UHFFFAOYSA-N 2 0 338.455 3.154 20 0 EGADRP C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358177304 457837766 /nfs/dbraw/zinc/83/77/66/457837766.db2.gz PAXQSAMHDKZCGG-MGPUTAFESA-N 2 0 346.446 3.150 20 0 EGADRP CCCNC(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000411350067 457863011 /nfs/dbraw/zinc/86/30/11/457863011.db2.gz RIKLWGDAENFDNT-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257633 457892404 /nfs/dbraw/zinc/89/24/04/457892404.db2.gz SFSWIGIMHOYXBM-UZLBHIALSA-N 2 0 326.440 3.196 20 0 EGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(Cl)s1 ZINC000411515700 457907339 /nfs/dbraw/zinc/90/73/39/457907339.db2.gz WCLCRHKFTQTAIZ-ZDUSSCGKSA-N 2 0 343.924 3.043 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000411626367 457932495 /nfs/dbraw/zinc/93/24/95/457932495.db2.gz ZQVHMIQQJXPYIS-XLIONFOSSA-N 2 0 344.499 3.304 20 0 EGADRP OC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1(F)F ZINC000411746028 457969529 /nfs/dbraw/zinc/96/95/29/457969529.db2.gz NSOKZWHVJSAPFD-SFHVURJKSA-N 2 0 338.442 3.122 20 0 EGADRP CCOC1CC(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000375716707 458034468 /nfs/dbraw/zinc/03/44/68/458034468.db2.gz LPGXTIPTQNKEQS-BEEJXANESA-N 2 0 338.536 3.013 20 0 EGADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000434783160 458050480 /nfs/dbraw/zinc/05/04/80/458050480.db2.gz KLMZCDIEDDUWKM-RDJZCZTQSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000358554782 458074142 /nfs/dbraw/zinc/07/41/42/458074142.db2.gz KPTPMIRLJYKXCN-KRWDZBQOSA-N 2 0 331.504 3.019 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC2(CCCC2)C1)c1ccccc1 ZINC000445848625 458099809 /nfs/dbraw/zinc/09/98/09/458099809.db2.gz HPUOVASVWLULIK-IBGZPJMESA-N 2 0 343.515 3.062 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908314 458118321 /nfs/dbraw/zinc/11/83/21/458118321.db2.gz VZLRUDITSZEAHW-VQTJNVASSA-N 2 0 333.495 3.377 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435370957 458122117 /nfs/dbraw/zinc/12/21/17/458122117.db2.gz KNDBFERUFSOWFR-TZMCWYRMSA-N 2 0 346.393 3.196 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435374142 458124021 /nfs/dbraw/zinc/12/40/21/458124021.db2.gz HLJQDNDUDVURTL-FUHWJXTLSA-N 2 0 338.499 3.394 20 0 EGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435373763 458124597 /nfs/dbraw/zinc/12/45/97/458124597.db2.gz VKYROFCKIFSVIR-OCCSQVGLSA-N 2 0 338.377 3.060 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000435382158 458129977 /nfs/dbraw/zinc/12/99/77/458129977.db2.gz ZUCFDDOFRDXUTP-DFQSSKMNSA-N 2 0 337.467 3.316 20 0 EGADRP Cc1nc(COc2ccc(C[N@@H+](C)C3CC[NH2+]CC3)cc2)cs1 ZINC000435388424 458131683 /nfs/dbraw/zinc/13/16/83/458131683.db2.gz GQABGADBNLBPKS-UHFFFAOYSA-N 2 0 331.485 3.214 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435385850 458132802 /nfs/dbraw/zinc/13/28/02/458132802.db2.gz RVCHTEJMELCWGY-FUHWJXTLSA-N 2 0 325.456 3.220 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000435389563 458134346 /nfs/dbraw/zinc/13/43/46/458134346.db2.gz LPTCAJXRUKRUAQ-MRXNPFEDSA-N 2 0 346.906 3.372 20 0 EGADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000428405118 458136014 /nfs/dbraw/zinc/13/60/14/458136014.db2.gz CXJQSDIGJXKJNM-UHFFFAOYSA-N 2 0 335.492 3.041 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000435396636 458137844 /nfs/dbraw/zinc/13/78/44/458137844.db2.gz XJCSNWCZIOOION-UHFFFAOYSA-N 2 0 346.906 3.372 20 0 EGADRP CCn1ccnc1C[N@H+](CC1CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432577 458145060 /nfs/dbraw/zinc/14/50/60/458145060.db2.gz JGYMTJFSFFVCII-SFHVURJKSA-N 2 0 330.520 3.427 20 0 EGADRP C[C@@H]1CCCC[C@@H]1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437952 458147632 /nfs/dbraw/zinc/14/76/32/458147632.db2.gz MDSQSTRVAQGNTA-KZNAEPCWSA-N 2 0 330.520 3.191 20 0 EGADRP C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065979 458181105 /nfs/dbraw/zinc/18/11/05/458181105.db2.gz UVPXFTXQPBQDPU-JGGQBBKZSA-N 2 0 344.377 3.099 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372106117 458195636 /nfs/dbraw/zinc/19/56/36/458195636.db2.gz VPWFWRWKRVLZGV-YJBOKZPZSA-N 2 0 337.533 3.156 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376204039 458233358 /nfs/dbraw/zinc/23/33/58/458233358.db2.gz VQMBNMSQQAJINN-RXVVDRJESA-N 2 0 343.559 3.442 20 0 EGADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000372330235 458278492 /nfs/dbraw/zinc/27/84/92/458278492.db2.gz FQPRYQYWXLEOEO-TZIWHRDSSA-N 2 0 329.532 3.070 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000436403417 458299769 /nfs/dbraw/zinc/29/97/69/458299769.db2.gz APENXWOYWQHFGJ-PKOBYXMFSA-N 2 0 339.483 3.481 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469521 458309563 /nfs/dbraw/zinc/30/95/63/458309563.db2.gz RZGRJFQIAUEARU-XLIONFOSSA-N 2 0 327.516 3.286 20 0 EGADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000447603263 458321075 /nfs/dbraw/zinc/32/10/75/458321075.db2.gz WZGXYOMTPCGVTN-FQEVSTJZSA-N 2 0 330.472 3.467 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000429494691 458337836 /nfs/dbraw/zinc/33/78/36/458337836.db2.gz RSKNONCXIKUHKG-OXJNMPFZSA-N 2 0 339.483 3.406 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(NC3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000459356257 458340608 /nfs/dbraw/zinc/34/06/08/458340608.db2.gz CHDKZZIVTWAOAG-UHFFFAOYSA-N 2 0 342.531 3.256 20 0 EGADRP CS[C@@H]1CCCC[N@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429681576 458356939 /nfs/dbraw/zinc/35/69/39/458356939.db2.gz CQVQEABFDFMWKJ-WOJBJXKFSA-N 2 0 348.556 3.495 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000459453249 458376573 /nfs/dbraw/zinc/37/65/73/458376573.db2.gz APNMXCVNTREYJL-UHFFFAOYSA-N 2 0 342.462 3.041 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[C@@H]1SC ZINC000459469951 458383179 /nfs/dbraw/zinc/38/31/79/458383179.db2.gz TVGAOQSBJOTMJQ-YGTYDBBMSA-N 2 0 326.550 3.138 20 0 EGADRP Fc1cc(Br)ccc1CNCc1cnc2n1CCCC2 ZINC000376766727 458386148 /nfs/dbraw/zinc/38/61/48/458386148.db2.gz FWVAOZCJHMMLMM-UHFFFAOYSA-N 2 0 338.224 3.411 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459567840 458414140 /nfs/dbraw/zinc/41/41/40/458414140.db2.gz WMGFBDHRPDOODM-IBGZPJMESA-N 2 0 345.531 3.220 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000437111166 458427769 /nfs/dbraw/zinc/42/77/69/458427769.db2.gz YXZWYFCJINIXTK-QMMLZNLJSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000423429688 458431358 /nfs/dbraw/zinc/43/13/58/458431358.db2.gz PEXWEQVJDVRPCX-KOHRHEQBSA-N 2 0 329.488 3.043 20 0 EGADRP Fc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000423449002 458434844 /nfs/dbraw/zinc/43/48/44/458434844.db2.gz VTIHRCAVJVZALI-DFQSSKMNSA-N 2 0 325.431 3.288 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)nnn1-c1cccc(Cl)c1 ZINC000423478787 458440186 /nfs/dbraw/zinc/44/01/86/458440186.db2.gz LMKUTOQYQAZRSC-CZUORRHYSA-N 2 0 347.894 3.412 20 0 EGADRP CC[C@H]([NH3+])CN[C@H](CCCOC)c1ccc(Br)cc1 ZINC000423484738 458441047 /nfs/dbraw/zinc/44/10/47/458441047.db2.gz YWOHUBILUAIZCV-LSDHHAIUSA-N 2 0 329.282 3.244 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423524555 458451455 /nfs/dbraw/zinc/45/14/55/458451455.db2.gz ZNSSTOSABMYZQQ-QRFRQXIXSA-N 2 0 325.456 3.091 20 0 EGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000423551582 458457210 /nfs/dbraw/zinc/45/72/10/458457210.db2.gz GFPOHYWOYJPEQL-QGZVFWFLSA-N 2 0 341.474 3.470 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)C2 ZINC000423570040 458458106 /nfs/dbraw/zinc/45/81/06/458458106.db2.gz WRSSUUNSUKZDTO-KRWDZBQOSA-N 2 0 335.289 3.206 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459726051 458458408 /nfs/dbraw/zinc/45/84/08/458458408.db2.gz BFFYXRPNHPSEMF-WMZOPIPTSA-N 2 0 334.504 3.346 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000430556523 458461371 /nfs/dbraw/zinc/46/13/71/458461371.db2.gz UQIJYLMGTVYMNJ-UHFFFAOYSA-N 2 0 329.444 3.172 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459739645 458464875 /nfs/dbraw/zinc/46/48/75/458464875.db2.gz TUFKNZHWGBTABI-SFHVURJKSA-N 2 0 326.488 3.311 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000459743186 458465629 /nfs/dbraw/zinc/46/56/29/458465629.db2.gz WVRXJKCLTYJMRK-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616808 458471706 /nfs/dbraw/zinc/47/17/06/458471706.db2.gz HZIRCWHZFIVESH-APWZRJJASA-N 2 0 329.488 3.014 20 0 EGADRP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423737397 458477388 /nfs/dbraw/zinc/47/73/88/458477388.db2.gz AOJZCEHUTNYSIQ-VQIMIIECSA-N 2 0 331.504 3.045 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430719255 458484080 /nfs/dbraw/zinc/48/40/80/458484080.db2.gz IZMHSDJJTMRXPH-KRWDZBQOSA-N 2 0 343.471 3.002 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000430720353 458485044 /nfs/dbraw/zinc/48/50/44/458485044.db2.gz JBBSTZPNMVNAMO-QRQLOZEOSA-N 2 0 330.520 3.138 20 0 EGADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OCC(C)C ZINC000430909373 458502470 /nfs/dbraw/zinc/50/24/70/458502470.db2.gz NPNQCPCKLXODSN-UHFFFAOYSA-N 2 0 332.488 3.306 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccccc3OC)n2)CC1 ZINC000430918352 458505643 /nfs/dbraw/zinc/50/56/43/458505643.db2.gz HDUIGKCIFQXBQF-UHFFFAOYSA-N 2 0 331.485 3.250 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000430922448 458506092 /nfs/dbraw/zinc/50/60/92/458506092.db2.gz ALHMUXRQLRCRLU-HUUCEWRRSA-N 2 0 325.456 3.226 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000430924999 458506835 /nfs/dbraw/zinc/50/68/35/458506835.db2.gz JOPKEBBRTIXCKL-INIZCTEOSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430946813 458508732 /nfs/dbraw/zinc/50/87/32/458508732.db2.gz YBZQFUBBOONYRQ-KXBFYZLASA-N 2 0 339.439 3.087 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000430943754 458509069 /nfs/dbraw/zinc/50/90/69/458509069.db2.gz QLNCRSNGNIPJRG-GJZGRUSLSA-N 2 0 343.471 3.011 20 0 EGADRP Fc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC000430968048 458512056 /nfs/dbraw/zinc/51/20/56/458512056.db2.gz VNCXZMOUXNGDJW-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP Cc1ccc(CCC[NH2+]CCCNC(=O)/C=C\c2ccccc2)cn1 ZINC000493625389 458516810 /nfs/dbraw/zinc/51/68/10/458516810.db2.gz OHHCYUIKIJGCET-SEYXRHQNSA-N 2 0 337.467 3.132 20 0 EGADRP FC(F)(F)Oc1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431037790 458519349 /nfs/dbraw/zinc/51/93/49/458519349.db2.gz LQVYEWNEYPAKSL-UHFFFAOYSA-N 2 0 344.377 3.040 20 0 EGADRP Cc1cc(-c2noc([C@H](C)[NH+]3CCC4(CC[NH2+]C4)CC3)n2)ccc1F ZINC000431034202 458519474 /nfs/dbraw/zinc/51/94/74/458519474.db2.gz NCPTYQTZETZHFP-AWEZNQCLSA-N 2 0 344.434 3.321 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000431048253 458520726 /nfs/dbraw/zinc/52/07/26/458520726.db2.gz FDPBFESAGYTOTH-RBUKOAKNSA-N 2 0 335.536 3.055 20 0 EGADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000468559590 458526483 /nfs/dbraw/zinc/52/64/83/458526483.db2.gz JGMGRZUACVJYMB-UXHICEINSA-N 2 0 330.516 3.456 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)c1 ZINC000424140505 458569300 /nfs/dbraw/zinc/56/93/00/458569300.db2.gz WFRKVYZVYIPKSQ-FQEVSTJZSA-N 2 0 345.531 3.442 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)CC1CCCCC1 ZINC000424147589 458570697 /nfs/dbraw/zinc/57/06/97/458570697.db2.gz RSQKQABSOBDFJV-WOJBJXKFSA-N 2 0 349.563 3.399 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cccs1 ZINC000431569834 458590910 /nfs/dbraw/zinc/59/09/10/458590910.db2.gz HRBVIDLABQTWTE-DLBZAZTESA-N 2 0 349.544 3.264 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438552978 458595895 /nfs/dbraw/zinc/59/58/95/458595895.db2.gz PSXWSFZJSHJDMC-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1)CC[NH2+]CC2 ZINC000424299778 458609522 /nfs/dbraw/zinc/60/95/22/458609522.db2.gz VTHPMUSELJMIEG-ADKAHSJRSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000431759696 458618620 /nfs/dbraw/zinc/61/86/20/458618620.db2.gz PQPQPKDLGUBEBL-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(-c3cnn(C)c3)s1)CC[NH2+]CC2 ZINC000424371198 458627698 /nfs/dbraw/zinc/62/76/98/458627698.db2.gz DBNIZWXYWCXMJG-AWEZNQCLSA-N 2 0 330.501 3.113 20 0 EGADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(OC(F)F)c1 ZINC000424385153 458631385 /nfs/dbraw/zinc/63/13/85/458631385.db2.gz WAFIXSDNCVOXFW-CYBMUJFWSA-N 2 0 340.414 3.261 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000502242924 458642207 /nfs/dbraw/zinc/64/22/07/458642207.db2.gz UGUOTBQSEXWHHK-SJORKVTESA-N 2 0 334.504 3.265 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccco1 ZINC000424438553 458644817 /nfs/dbraw/zinc/64/48/17/458644817.db2.gz PYOUKKQSCJZATB-KRWDZBQOSA-N 2 0 344.459 3.251 20 0 EGADRP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000463145614 458678847 /nfs/dbraw/zinc/67/88/47/458678847.db2.gz NAFZZWXPPYTTNF-VQTJNVASSA-N 2 0 343.559 3.404 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000530211687 458717738 /nfs/dbraw/zinc/71/77/38/458717738.db2.gz NXWYUSJIMFVMFQ-IRXDYDNUSA-N 2 0 332.492 3.252 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530218696 458721332 /nfs/dbraw/zinc/72/13/32/458721332.db2.gz GTCIEVJNVXMNJF-CABZTGNLSA-N 2 0 333.220 3.334 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]CCCN2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000432418097 458735202 /nfs/dbraw/zinc/73/52/02/458735202.db2.gz PXZISPZPIWWSJU-GHTZIAJQSA-N 2 0 330.516 3.407 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000547430105 458738079 /nfs/dbraw/zinc/73/80/79/458738079.db2.gz ALGRLDXCIQKCRJ-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000495088740 458798063 /nfs/dbraw/zinc/79/80/63/458798063.db2.gz MRHUYWCRESHKRT-KKUMJFAQSA-N 2 0 337.870 3.274 20 0 EGADRP CC(C)[C@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000474720395 458897642 /nfs/dbraw/zinc/89/76/42/458897642.db2.gz PTZVLBQKRGZNAJ-NRFANRHFSA-N 2 0 331.548 3.289 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000576863216 458937303 /nfs/dbraw/zinc/93/73/03/458937303.db2.gz IERHKDZDQBZKHV-NQIIRXRSSA-N 2 0 348.531 3.042 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000467194112 458957864 /nfs/dbraw/zinc/95/78/64/458957864.db2.gz GHSDHOVOINRWEO-RTBURBONSA-N 2 0 338.536 3.301 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CCCCC[NH+]1CCCC1 ZINC000566556088 458959599 /nfs/dbraw/zinc/95/95/99/458959599.db2.gz FKZAPIZZHOZNGE-UHFFFAOYSA-N 2 0 335.467 3.318 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000495879550 458990680 /nfs/dbraw/zinc/99/06/80/458990680.db2.gz VRGOZRKGZCWANY-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000495883541 458991363 /nfs/dbraw/zinc/99/13/63/458991363.db2.gz DBXBGQWTXWXHMI-CQSZACIVSA-N 2 0 332.448 3.117 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000577176743 458991360 /nfs/dbraw/zinc/99/13/60/458991360.db2.gz ZGYLQGZFDWWDTC-FQEVSTJZSA-N 2 0 337.467 3.272 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCCc2cncn2C)CC1)CC1CC1 ZINC000577189206 458994908 /nfs/dbraw/zinc/99/49/08/458994908.db2.gz VVBKUCBMMUQOHV-UHFFFAOYSA-N 2 0 332.536 3.187 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000566836350 459008161 /nfs/dbraw/zinc/00/81/61/459008161.db2.gz WDZBZOAICKFIRQ-OAHLLOKOSA-N 2 0 328.909 3.435 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000556816876 459015613 /nfs/dbraw/zinc/01/56/13/459015613.db2.gz ZOJIRGFQQNVEKB-NRFANRHFSA-N 2 0 327.516 3.413 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000476897409 459021039 /nfs/dbraw/zinc/02/10/39/459021039.db2.gz VKPJFOXUICWTAO-YESZJQIVSA-N 2 0 325.541 3.170 20 0 EGADRP CCCCNC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476985616 459025910 /nfs/dbraw/zinc/02/59/10/459025910.db2.gz OEBAVBGXPRMMNT-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408170 459029216 /nfs/dbraw/zinc/02/92/16/459029216.db2.gz KAYJFHDHCXVBLM-KRWDZBQOSA-N 2 0 326.431 3.022 20 0 EGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000442758488 459031240 /nfs/dbraw/zinc/03/12/40/459031240.db2.gz IUFMZCYUSKEFRO-IRXDYDNUSA-N 2 0 337.467 3.351 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCOCC4CCC4)[C@H]3C2)cc1 ZINC000577434106 459031858 /nfs/dbraw/zinc/03/18/58/459031858.db2.gz GUFUKRNZCJQSQS-PCCBWWKXSA-N 2 0 328.500 3.303 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000442785783 459035531 /nfs/dbraw/zinc/03/55/31/459035531.db2.gz AEIYQVNWPMRGTK-MDZRGWNJSA-N 2 0 331.504 3.051 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059406 459041705 /nfs/dbraw/zinc/04/17/05/459041705.db2.gz XOGYMAVMDQEJSW-LRDDRELGSA-N 2 0 331.287 3.347 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000532227183 459049622 /nfs/dbraw/zinc/04/96/22/459049622.db2.gz BMYRGVGHJKILTB-PMACEKPBSA-N 2 0 336.495 3.075 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442893308 459057085 /nfs/dbraw/zinc/05/70/85/459057085.db2.gz XTTZTDICSDYRTK-HOTGVXAUSA-N 2 0 337.939 3.448 20 0 EGADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000567169606 459058385 /nfs/dbraw/zinc/05/83/85/459058385.db2.gz WTBDIHCGANGDCL-YJBOKZPZSA-N 2 0 329.488 3.388 20 0 EGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443057570 459079071 /nfs/dbraw/zinc/07/90/71/459079071.db2.gz HAEYWRBCUUIGKP-IRXDYDNUSA-N 2 0 339.483 3.078 20 0 EGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443057569 459079557 /nfs/dbraw/zinc/07/95/57/459079557.db2.gz HAEYWRBCUUIGKP-IAGOWNOFSA-N 2 0 339.483 3.078 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000443062235 459080554 /nfs/dbraw/zinc/08/05/54/459080554.db2.gz TXXWANZBZDCJJU-KRWDZBQOSA-N 2 0 337.467 3.353 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000532410513 459081933 /nfs/dbraw/zinc/08/19/33/459081933.db2.gz HMEFPLYCPQTSHZ-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443075897 459085375 /nfs/dbraw/zinc/08/53/75/459085375.db2.gz RTCFNQNSTBHYSB-INIZCTEOSA-N 2 0 349.494 3.014 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)cc1 ZINC000594649650 459121968 /nfs/dbraw/zinc/12/19/68/459121968.db2.gz ZJCBFOCUYNUKHV-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccco2)CC1 ZINC000532647685 459124205 /nfs/dbraw/zinc/12/42/05/459124205.db2.gz HMBCBMUFLKXJFK-MBOZVWFJSA-N 2 0 334.504 3.063 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]([NH3+])C3CCC3)c2)CC1 ZINC000567604297 459131412 /nfs/dbraw/zinc/13/14/12/459131412.db2.gz NARPERDGBXBMNV-IBGZPJMESA-N 2 0 329.488 3.027 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000567677860 459143566 /nfs/dbraw/zinc/14/35/66/459143566.db2.gz CINXTJYHOYDFBB-VQTJNVASSA-N 2 0 348.531 3.287 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000496305822 459145129 /nfs/dbraw/zinc/14/51/29/459145129.db2.gz KETUHBBWZSZECZ-IKGGRYGDSA-N 2 0 339.524 3.001 20 0 EGADRP CC1CC[NH+](CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000558477766 459164008 /nfs/dbraw/zinc/16/40/08/459164008.db2.gz IWRGCKYPIYLUJG-YADHBBJMSA-N 2 0 341.543 3.172 20 0 EGADRP c1cc([C@H]2CC[N@@H+](CCC[NH+]3CC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000578245812 459170214 /nfs/dbraw/zinc/17/02/14/459170214.db2.gz ZFBFXTZHCNLYHQ-OYRHEFFESA-N 2 0 336.483 3.146 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)C1 ZINC000578337580 459185109 /nfs/dbraw/zinc/18/51/09/459185109.db2.gz KWGDHYKRSGFARE-MOPGFXCFSA-N 2 0 334.467 3.444 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000567990663 459204512 /nfs/dbraw/zinc/20/45/12/459204512.db2.gz UYBMBJSYXMHWBR-HZPDHXFCSA-N 2 0 343.496 3.250 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786384 459219945 /nfs/dbraw/zinc/21/99/45/459219945.db2.gz BEEVGKGSKPRTDE-KRWDZBQOSA-N 2 0 331.504 3.374 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC[NH+](C)CC1 ZINC000595046585 459226918 /nfs/dbraw/zinc/22/69/18/459226918.db2.gz AVVPSYDJCGEEMZ-LBPRGKRZSA-N 2 0 329.460 3.497 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000595315121 459276325 /nfs/dbraw/zinc/27/63/25/459276325.db2.gz XONUVWRWZSZEPL-FQEVSTJZSA-N 2 0 329.532 3.196 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000481971235 459283538 /nfs/dbraw/zinc/28/35/38/459283538.db2.gz GQCLGQGGOJLCQW-OALUTQOASA-N 2 0 347.547 3.398 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000482348619 459304671 /nfs/dbraw/zinc/30/46/71/459304671.db2.gz FZHAMYAWFRVFQK-HXUWFJFHSA-N 2 0 329.532 3.272 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000482481335 459310783 /nfs/dbraw/zinc/31/07/83/459310783.db2.gz OVFYTZNRMUPBDE-VQIMIIECSA-N 2 0 345.531 3.180 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496755614 459312425 /nfs/dbraw/zinc/31/24/25/459312425.db2.gz HGEZAICOLGWQGD-INIZCTEOSA-N 2 0 341.540 3.390 20 0 EGADRP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000568618059 459316710 /nfs/dbraw/zinc/31/67/10/459316710.db2.gz HIXWGKWFOWBBHK-RCCFBDPRSA-N 2 0 334.504 3.012 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000534347214 459318911 /nfs/dbraw/zinc/31/89/11/459318911.db2.gz AZKJMPAWBPTGQU-UHFFFAOYSA-N 2 0 340.515 3.484 20 0 EGADRP CO[C@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000560285162 459319897 /nfs/dbraw/zinc/31/98/97/459319897.db2.gz FLFRKAUGFWTGRZ-ROUUACIJSA-N 2 0 340.552 3.260 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659331 459324147 /nfs/dbraw/zinc/32/41/47/459324147.db2.gz MOHFQFFVKRJBOP-ZTFGCOKTSA-N 2 0 349.494 3.231 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000483681088 459382824 /nfs/dbraw/zinc/38/28/24/459382824.db2.gz NBODMEBYMDKQJX-OXJNMPFZSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(I)cc1 ZINC000591578254 459405971 /nfs/dbraw/zinc/40/59/71/459405971.db2.gz HFRPOWDKMXJRLY-BXUZGUMPSA-N 2 0 344.240 3.084 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2C)[C@@H](C)C1 ZINC000484274425 459410282 /nfs/dbraw/zinc/41/02/82/459410282.db2.gz DRFAARHYGATEGQ-FXAWDEMLSA-N 2 0 336.495 3.403 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497041074 459415685 /nfs/dbraw/zinc/41/56/85/459415685.db2.gz YYSUONPBJVXVPO-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000525173131 459423817 /nfs/dbraw/zinc/42/38/17/459423817.db2.gz GYKCCVKFNKIKJU-FPOVZHCZSA-N 2 0 329.532 3.108 20 0 EGADRP Cc1nc2c(c(N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n1)CCCC2 ZINC000541090882 459426247 /nfs/dbraw/zinc/42/62/47/459426247.db2.gz WCNWXVGNXIAOMX-ZBFHGGJFSA-N 2 0 328.504 3.151 20 0 EGADRP CC[NH+]1CCC([NH2+]CCC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000497138602 459456018 /nfs/dbraw/zinc/45/60/18/459456018.db2.gz YTFNQINZKYITIQ-QGZVFWFLSA-N 2 0 339.524 3.240 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000525460440 459457065 /nfs/dbraw/zinc/45/70/65/459457065.db2.gz AUSDLFWHRCZWCO-DJAVKIJBSA-N 2 0 336.479 3.317 20 0 EGADRP C[N@H+](CCOc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000525488293 459459469 /nfs/dbraw/zinc/45/94/69/459459469.db2.gz JJFINGWRXSDCNH-CQSZACIVSA-N 2 0 330.394 3.358 20 0 EGADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497159411 459465924 /nfs/dbraw/zinc/46/59/24/459465924.db2.gz GIHLGUFYRPMPQY-IRXDYDNUSA-N 2 0 337.508 3.016 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000541583013 459468370 /nfs/dbraw/zinc/46/83/70/459468370.db2.gz PPJAEGIDOBSCGL-DLBZAZTESA-N 2 0 325.541 3.026 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000497174652 459472482 /nfs/dbraw/zinc/47/24/82/459472482.db2.gz AHOFCHGWZIVUHW-HOTGVXAUSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000562039372 459506127 /nfs/dbraw/zinc/50/61/27/459506127.db2.gz GTJIKUCWWLDKAO-LXTVHRRPSA-N 2 0 336.442 3.442 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000569795428 459511440 /nfs/dbraw/zinc/51/14/40/459511440.db2.gz TYUDRGIFVTYIDW-HKUYNNGSSA-N 2 0 344.503 3.052 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C[C@H]1C ZINC000596093652 459517246 /nfs/dbraw/zinc/51/72/46/459517246.db2.gz CUHMZBXPXTYAIU-XGXHKWSGSA-N 2 0 336.520 3.066 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000583592022 459563434 /nfs/dbraw/zinc/56/34/34/459563434.db2.gz OPVOMKBZZHXOKW-AWEZNQCLSA-N 2 0 327.472 3.096 20 0 EGADRP Cc1cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn2ccnc12 ZINC000573337264 459662246 /nfs/dbraw/zinc/66/22/46/459662246.db2.gz KXAZIMSHEKBMCN-QGZVFWFLSA-N 2 0 334.423 3.103 20 0 EGADRP [NH3+][C@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000573355359 459663942 /nfs/dbraw/zinc/66/39/42/459663942.db2.gz WCRVLPBFWGYZOP-APMMZXSISA-N 2 0 339.458 3.253 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000562957102 459679091 /nfs/dbraw/zinc/67/90/91/459679091.db2.gz WJGISCDIGDCZFY-FUMNGEBKSA-N 2 0 334.479 3.149 20 0 EGADRP C[C@H](NC(=O)c1ccccc1Oc1ccncc1)C1=CC[N@H+](C)CC1 ZINC000573507548 459689290 /nfs/dbraw/zinc/68/92/90/459689290.db2.gz HTPNQJPMZGXVFZ-HNNXBMFYSA-N 2 0 337.423 3.254 20 0 EGADRP CC(C)(C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000563003738 459691754 /nfs/dbraw/zinc/69/17/54/459691754.db2.gz XGGDLJHMVXDOAT-UHFFFAOYSA-N 2 0 339.430 3.005 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000563006726 459693016 /nfs/dbraw/zinc/69/30/16/459693016.db2.gz BOLLRDCUVOSYNF-ACBHZAAOSA-N 2 0 348.531 3.186 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000573831211 459742627 /nfs/dbraw/zinc/74/26/27/459742627.db2.gz YBCTXSBKYQUCRW-CAOSSQGBSA-N 2 0 349.906 3.343 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)[C@@H]3CCC[C@H]32)cc1 ZINC000527978734 459786581 /nfs/dbraw/zinc/78/65/81/459786581.db2.gz GITLLTGFOBLZMP-SONFCDGGSA-N 2 0 326.484 3.198 20 0 EGADRP Cc1cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017201 459793664 /nfs/dbraw/zinc/79/36/64/459793664.db2.gz ACJOVFGYGQTISW-XJKSGUPXSA-N 2 0 330.863 3.417 20 0 EGADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000566058992 459799327 /nfs/dbraw/zinc/79/93/27/459799327.db2.gz NBFWNUHGFFDLHR-AEFFLSMTSA-N 2 0 327.476 3.060 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000566063383 459800425 /nfs/dbraw/zinc/80/04/25/459800425.db2.gz RQLBPKXAGNSEGY-WMLDXEAASA-N 2 0 344.421 3.321 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000566118996 459809678 /nfs/dbraw/zinc/80/96/78/459809678.db2.gz MXODKUOYEVMGEQ-IEBWSBKVSA-N 2 0 348.531 3.045 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000566166155 459818105 /nfs/dbraw/zinc/81/81/05/459818105.db2.gz RWODISVTEUJYKA-OAQYLSRUSA-N 2 0 349.478 3.498 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000566174839 459818817 /nfs/dbraw/zinc/81/88/17/459818817.db2.gz BDFDCVCTUDTKKJ-YDZRNGNQSA-N 2 0 335.536 3.007 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000566325553 459843642 /nfs/dbraw/zinc/84/36/42/459843642.db2.gz QELUVRAWMXQAME-CVEARBPZSA-N 2 0 336.442 3.444 20 0 EGADRP C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574865740 459883888 /nfs/dbraw/zinc/88/38/88/459883888.db2.gz PMVXVOZLTNMHFP-LXTOLFJKSA-N 2 0 348.453 3.465 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000575408716 459969930 /nfs/dbraw/zinc/96/99/30/459969930.db2.gz XXUZIIBUIHKQJB-ZDUSSCGKSA-N 2 0 327.428 3.029 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000621764608 460055402 /nfs/dbraw/zinc/05/54/02/460055402.db2.gz JDCLGNBNPAYBST-FQEVSTJZSA-N 2 0 341.499 3.196 20 0 EGADRP C[C@H]1[C@@H](NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576134273 460077455 /nfs/dbraw/zinc/07/74/55/460077455.db2.gz BHGMMIGSDDGEPS-UWJYYQICSA-N 2 0 327.516 3.113 20 0 EGADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000576607770 460178540 /nfs/dbraw/zinc/17/85/40/460178540.db2.gz GOKKHYHGDDFTBI-IEBWSBKVSA-N 2 0 336.907 3.051 20 0 EGADRP CCC(CC)(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000576821569 460219077 /nfs/dbraw/zinc/21/90/77/460219077.db2.gz SHCCGJVSJXSKGU-GVDBMIGSSA-N 2 0 348.535 3.321 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000615310343 460307609 /nfs/dbraw/zinc/30/76/09/460307609.db2.gz VWNTXUSDKMSTLZ-LPHOPBHVSA-N 2 0 331.504 3.083 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)C1(F)F ZINC000628391378 460396219 /nfs/dbraw/zinc/39/62/19/460396219.db2.gz YGFCHZHOVMJJOJ-HUUCEWRRSA-N 2 0 326.431 3.350 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3ncccc32)c1 ZINC000631568622 460446777 /nfs/dbraw/zinc/44/67/77/460446777.db2.gz ALIXMPFSXNOQFI-HXUWFJFHSA-N 2 0 325.456 3.189 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000631595726 460464846 /nfs/dbraw/zinc/46/48/46/460464846.db2.gz DSDUDSNEXPEWKR-QINHECLXSA-N 2 0 332.488 3.162 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)C(C)C)cc2)C1 ZINC000619899554 460465998 /nfs/dbraw/zinc/46/59/98/460465998.db2.gz QVCZEZWNCUQPCN-IBGZPJMESA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000634678306 460471262 /nfs/dbraw/zinc/47/12/62/460471262.db2.gz OYBNLWLKSXWOJO-SFHVURJKSA-N 2 0 334.504 3.454 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)CC1 ZINC000634678502 460472282 /nfs/dbraw/zinc/47/22/82/460472282.db2.gz VWXBSSYGXYSCRF-DNVCBOLYSA-N 2 0 339.474 3.278 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000634687498 460477255 /nfs/dbraw/zinc/47/72/55/460477255.db2.gz NGXMKUVTUJYRSN-FXAWDEMLSA-N 2 0 341.499 3.461 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000634732902 460498455 /nfs/dbraw/zinc/49/84/55/460498455.db2.gz ROYXACQBVCQOKM-YZGWKJHDSA-N 2 0 329.532 3.407 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+](C)C2)cc1)C(C)C ZINC000628747924 460524875 /nfs/dbraw/zinc/52/48/75/460524875.db2.gz CXLJFTIJLFWGCN-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc(OC)c1OC ZINC000624119699 460867874 /nfs/dbraw/zinc/86/78/74/460867874.db2.gz HJAGUZXOBJVVOO-HUUCEWRRSA-N 2 0 336.476 3.095 20 0 EGADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(OC(F)F)nc3)c2)CC1 ZINC000629734530 460894483 /nfs/dbraw/zinc/89/44/83/460894483.db2.gz SYHBVOMGIADMHS-UHFFFAOYSA-N 2 0 333.382 3.273 20 0 EGADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000621109268 460894784 /nfs/dbraw/zinc/89/47/84/460894784.db2.gz SEVBVKQZPUJDIL-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)C1CCC1 ZINC000629948409 460968710 /nfs/dbraw/zinc/96/87/10/460968710.db2.gz GBLLGIZPDGQOGD-SFHVURJKSA-N 2 0 349.906 3.077 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000635996904 461001984 /nfs/dbraw/zinc/00/19/84/461001984.db2.gz LBYRXPLSHYFSNQ-RBUKOAKNSA-N 2 0 327.472 3.191 20 0 EGADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+]1CCCCCC1 ZINC000608352707 461043680 /nfs/dbraw/zinc/04/36/80/461043680.db2.gz HMWVURZWRFNJBA-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1(C)C ZINC000608579381 461085200 /nfs/dbraw/zinc/08/52/00/461085200.db2.gz HQSNQWOAAVDWCM-FPOVZHCZSA-N 2 0 346.515 3.454 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CC(C)(C)[NH3+])c2)CC1 ZINC000659005728 461133892 /nfs/dbraw/zinc/13/38/92/461133892.db2.gz RAXFTAONQPETGN-UHFFFAOYSA-N 2 0 346.519 3.162 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000652348214 461143356 /nfs/dbraw/zinc/14/33/56/461143356.db2.gz XRSQIZQUJJOQAT-HBUWYVDXSA-N 2 0 340.870 3.240 20 0 EGADRP CCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000662256661 461145309 /nfs/dbraw/zinc/14/53/09/461145309.db2.gz MUQYMDMBESQISJ-VAMGGRTRSA-N 2 0 328.500 3.358 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC[C@@H]2CCc3ccccc32)C1 ZINC000662284437 461166370 /nfs/dbraw/zinc/16/63/70/461166370.db2.gz NHCVAVNVQGOQJM-YHELAOLJSA-N 2 0 328.500 3.467 20 0 EGADRP c1csc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662298026 461174489 /nfs/dbraw/zinc/17/44/89/461174489.db2.gz UAGPPVNGUPSCDU-CQSZACIVSA-N 2 0 332.473 3.010 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295806 461175202 /nfs/dbraw/zinc/17/52/02/461175202.db2.gz UQTFZYSXMHAZJM-INIZCTEOSA-N 2 0 349.906 3.299 20 0 EGADRP CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662312940 461184644 /nfs/dbraw/zinc/18/46/44/461184644.db2.gz BKIHNYLSEXHCIP-RHSMWYFYSA-N 2 0 335.517 3.186 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCC[C@@H]1O ZINC000649572667 461185163 /nfs/dbraw/zinc/18/51/63/461185163.db2.gz DTNSCNZPLGBRSG-ICSRJNTNSA-N 2 0 331.504 3.171 20 0 EGADRP C[C@@H](c1cccnc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327535 461194865 /nfs/dbraw/zinc/19/48/65/461194865.db2.gz RAXRVNSRHSEAHW-HNNXBMFYSA-N 2 0 339.487 3.212 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(CO)ccn2)C1 ZINC000641296173 461205595 /nfs/dbraw/zinc/20/55/95/461205595.db2.gz WOGJGLZRQPLEAR-MRXNPFEDSA-N 2 0 325.456 3.418 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3ccnc(C)n3)C2)s1 ZINC000649603454 461211541 /nfs/dbraw/zinc/21/15/41/461211541.db2.gz NOXIVOKHDHCMBD-INIZCTEOSA-N 2 0 330.501 3.109 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2)C1 ZINC000655444018 461254387 /nfs/dbraw/zinc/25/43/87/461254387.db2.gz HCPHNCHZLFDLEV-BSIFCXSSSA-N 2 0 341.499 3.247 20 0 EGADRP Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000638133607 461263236 /nfs/dbraw/zinc/26/32/36/461263236.db2.gz ROBLBMMWMXVCDN-LJQANCHMSA-N 2 0 330.520 3.459 20 0 EGADRP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662486146 461264244 /nfs/dbraw/zinc/26/42/44/461264244.db2.gz LOWSZWPVQPWGMH-IBGZPJMESA-N 2 0 349.478 3.026 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)cc1 ZINC000638173917 461286481 /nfs/dbraw/zinc/28/64/81/461286481.db2.gz HHERURVYBAXMJR-GOSISDBHSA-N 2 0 343.858 3.402 20 0 EGADRP CC(C)O[C@@H]1CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702737 461290978 /nfs/dbraw/zinc/29/09/78/461290978.db2.gz LYQRIAXVYDANNW-OWZKRDHZSA-N 2 0 340.552 3.401 20 0 EGADRP CC[N@H+](CCCNC(=O)c1cc2c(s1)CC[NH2+]C2)C1CCCCC1 ZINC000662582571 461304092 /nfs/dbraw/zinc/30/40/92/461304092.db2.gz PHXQHUJKUCYTME-UHFFFAOYSA-N 2 0 349.544 3.168 20 0 EGADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC[NH+](C)C ZINC000652713709 461327392 /nfs/dbraw/zinc/32/73/92/461327392.db2.gz VLTISMJXJZPNRP-IPMKNSEASA-N 2 0 345.531 3.228 20 0 EGADRP CC(C)[NH+](CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)C(C)C ZINC000646568139 461334969 /nfs/dbraw/zinc/33/49/69/461334969.db2.gz FNNTTWJMKBPQMJ-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662745555 461363334 /nfs/dbraw/zinc/36/33/34/461363334.db2.gz NOOPOQOMRAJRKN-RTBURBONSA-N 2 0 343.515 3.012 20 0 EGADRP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000641775224 461365747 /nfs/dbraw/zinc/36/57/47/461365747.db2.gz YSDWBUBDNHUGCE-KRWDZBQOSA-N 2 0 326.488 3.392 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCOC1 ZINC000638362982 461387685 /nfs/dbraw/zinc/38/76/85/461387685.db2.gz HSHMGVCZWRSLCN-DZFGPLHGSA-N 2 0 346.515 3.202 20 0 EGADRP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000662835400 461388733 /nfs/dbraw/zinc/38/87/33/461388733.db2.gz NNGXDYSMIRYDKH-CEXWTWQISA-N 2 0 335.536 3.197 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc(C)ns2)cc1 ZINC000638374766 461393885 /nfs/dbraw/zinc/39/38/85/461393885.db2.gz TVSOWQUTZAPPGU-UHFFFAOYSA-N 2 0 333.501 3.462 20 0 EGADRP [NH3+][C@H](CCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)CC1CCCCC1 ZINC000663005552 461424710 /nfs/dbraw/zinc/42/47/10/461424710.db2.gz WFDGGYZQSJZGHE-WOJBJXKFSA-N 2 0 349.563 3.303 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(CC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000659863149 461466422 /nfs/dbraw/zinc/46/64/22/461466422.db2.gz GPSQAPXCXPTHCK-QHAWAJNXSA-N 2 0 335.580 3.408 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc(C)n1 ZINC000659874892 461475509 /nfs/dbraw/zinc/47/55/09/461475509.db2.gz UBBKEPGCECKJFF-UHFFFAOYSA-N 2 0 338.499 3.437 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC000631041731 461494357 /nfs/dbraw/zinc/49/43/57/461494357.db2.gz MHFHDEMOXBTFEG-MRXNPFEDSA-N 2 0 325.456 3.451 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848628 461496323 /nfs/dbraw/zinc/49/63/23/461496323.db2.gz JDMOQZGGINDXDJ-IOMROCGXSA-N 2 0 345.531 3.295 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)o1 ZINC000647085203 461496696 /nfs/dbraw/zinc/49/66/96/461496696.db2.gz VGKJUYCKSMWGJV-GOSISDBHSA-N 2 0 343.471 3.331 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653109144 461504814 /nfs/dbraw/zinc/50/48/14/461504814.db2.gz WCEYVDFUESCXCY-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653122659 461511677 /nfs/dbraw/zinc/51/16/77/461511677.db2.gz ADTAAPQVFVSWHB-FQEVSTJZSA-N 2 0 345.531 3.315 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653168779 461534196 /nfs/dbraw/zinc/53/41/96/461534196.db2.gz QFDUKKDHEQPDLD-NZSAHSFTSA-N 2 0 335.536 3.007 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638722463 461549006 /nfs/dbraw/zinc/54/90/06/461549006.db2.gz REPWSCWSYIASRZ-IFXJQAMLSA-N 2 0 334.479 3.274 20 0 EGADRP Cc1cnc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000638734294 461554379 /nfs/dbraw/zinc/55/43/79/461554379.db2.gz HBCKBVYAUMGMPW-UHFFFAOYSA-N 2 0 343.471 3.144 20 0 EGADRP CC[N@H+](CCCNC(=O)C[C@H](C)C1CC[NH2+]CC1)C1CCCCC1 ZINC000653200724 461555179 /nfs/dbraw/zinc/55/51/79/461555179.db2.gz NRCWZOJPCBMKLY-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP [NH3+]C1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000653252984 461591578 /nfs/dbraw/zinc/59/15/78/461591578.db2.gz BLHJUFXADVTZMI-UHFFFAOYSA-N 2 0 347.528 3.475 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000653253233 461591685 /nfs/dbraw/zinc/59/16/85/461591685.db2.gz MESSPPWHJFGOCA-CRAIPNDOSA-N 2 0 349.544 3.432 20 0 EGADRP Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000643031898 461594217 /nfs/dbraw/zinc/59/42/17/461594217.db2.gz ZDJYJLZEYNHGMU-MLGOLLRUSA-N 2 0 333.382 3.333 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000638862349 461624932 /nfs/dbraw/zinc/62/49/32/461624932.db2.gz SSCRRRUPKWRICV-QZTJIDSGSA-N 2 0 335.536 3.151 20 0 EGADRP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638873979 461633991 /nfs/dbraw/zinc/63/39/91/461633991.db2.gz OJZUWINAEFDBHG-LMNJBCLMSA-N 2 0 327.516 3.286 20 0 EGADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000656202133 461646223 /nfs/dbraw/zinc/64/62/23/461646223.db2.gz ZBDRDTOLWQTRBT-OWLYRPNTSA-N 2 0 330.472 3.419 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2(CCC2)C1 ZINC000643296197 461671769 /nfs/dbraw/zinc/67/17/69/461671769.db2.gz GMUQUZZQPJBMKN-IBGZPJMESA-N 2 0 344.499 3.041 20 0 EGADRP C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000650286485 461684273 /nfs/dbraw/zinc/68/42/73/461684273.db2.gz XYLHUISGOIPNQU-KRWDZBQOSA-N 2 0 343.515 3.162 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000656271628 461697246 /nfs/dbraw/zinc/69/72/46/461697246.db2.gz JKEATRSRHIXHRW-FQEVSTJZSA-N 2 0 332.488 3.161 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000643462207 461735692 /nfs/dbraw/zinc/73/56/92/461735692.db2.gz FXUJIPAEVJZLGR-OXJNMPFZSA-N 2 0 325.456 3.138 20 0 EGADRP CC(C)O[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000639116319 461737046 /nfs/dbraw/zinc/73/70/46/461737046.db2.gz FFQMRPFRIKZXRT-UYAOXDASSA-N 2 0 334.504 3.243 20 0 EGADRP CC(C)O[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000639116317 461737283 /nfs/dbraw/zinc/73/72/83/461737283.db2.gz FFQMRPFRIKZXRT-QUCCMNQESA-N 2 0 334.504 3.243 20 0 EGADRP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000639118753 461739610 /nfs/dbraw/zinc/73/96/10/461739610.db2.gz QNUZPCDYKKQGRO-YLJYHZDGSA-N 2 0 339.483 3.133 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521971 461752508 /nfs/dbraw/zinc/75/25/08/461752508.db2.gz GAEXFMXHHLARRY-BXUZGUMPSA-N 2 0 329.257 3.251 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000643522759 461752693 /nfs/dbraw/zinc/75/26/93/461752693.db2.gz CQCDEMDHSRSNAM-IVAOSVALSA-N 2 0 327.516 3.161 20 0 EGADRP Fc1ccc([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2cccnc2)c(F)c1 ZINC000643534915 461754649 /nfs/dbraw/zinc/75/46/49/461754649.db2.gz FQFDKTCBJPVLPX-MSOLQXFVSA-N 2 0 329.394 3.181 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542883 461756955 /nfs/dbraw/zinc/75/69/55/461756955.db2.gz DIOASHUGCVOZSC-HZPDHXFCSA-N 2 0 336.549 3.201 20 0 EGADRP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643535439 461757333 /nfs/dbraw/zinc/75/73/33/461757333.db2.gz DPEPAOGNTFAJGF-CJNGLKHVSA-N 2 0 335.289 3.038 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCO1 ZINC000643535982 461757515 /nfs/dbraw/zinc/75/75/15/461757515.db2.gz LODDGQCHACEIPY-RCCFBDPRSA-N 2 0 334.891 3.162 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1F ZINC000643536351 461757603 /nfs/dbraw/zinc/75/76/03/461757603.db2.gz TUUNAYZLZBTXPH-YGRLFVJLSA-N 2 0 327.241 3.381 20 0 EGADRP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542967 461757642 /nfs/dbraw/zinc/75/76/42/461757642.db2.gz FKWOCUBEIOVNNG-IRXDYDNUSA-N 2 0 342.462 3.223 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543213 461757721 /nfs/dbraw/zinc/75/77/21/461757721.db2.gz JMJSTTVRWHPOCY-INMHGKMJSA-N 2 0 335.517 3.206 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000643544661 461758310 /nfs/dbraw/zinc/75/83/10/461758310.db2.gz SGHIOPAGWXKJJG-HNNXBMFYSA-N 2 0 344.528 3.096 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000647551222 461762907 /nfs/dbraw/zinc/76/29/07/461762907.db2.gz AXIBPUIYLYDERZ-SCDSUCTJSA-N 2 0 327.241 3.066 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000647552310 461764375 /nfs/dbraw/zinc/76/43/75/461764375.db2.gz QLWWIUJOQXCTHB-QWHCGFSZSA-N 2 0 340.393 3.166 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000639171076 461779777 /nfs/dbraw/zinc/77/97/77/461779777.db2.gz PUBFRSGJSHVDNU-FGZHOGPDSA-N 2 0 341.543 3.140 20 0 EGADRP C[N@H+](C[C@@]1(C)C[C@@H]1c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172250 461780311 /nfs/dbraw/zinc/78/03/11/461780311.db2.gz JUWHWYSWKXQWBS-BHDDXSALSA-N 2 0 341.543 3.281 20 0 EGADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)nc1 ZINC000647783867 461833245 /nfs/dbraw/zinc/83/32/45/461833245.db2.gz DDARXBNCGMVEMC-GBESFXJTSA-N 2 0 337.467 3.138 20 0 EGADRP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788104 461835818 /nfs/dbraw/zinc/83/58/18/461835818.db2.gz CJCQWQFNQJLJNT-MISXGVKJSA-N 2 0 330.806 3.419 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647789584 461836062 /nfs/dbraw/zinc/83/60/62/461836062.db2.gz HNIXATZITOBOFK-JHMKDJTOSA-N 3 0 341.543 3.396 20 0 EGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791923 461836579 /nfs/dbraw/zinc/83/65/79/461836579.db2.gz QOAKDMBYXUPOAE-KCQAQPDRSA-N 2 0 328.378 3.062 20 0 EGADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791791 461836869 /nfs/dbraw/zinc/83/68/69/461836869.db2.gz MYIWOSNOQKGBSS-XOYOTBSWSA-N 2 0 329.488 3.149 20 0 EGADRP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791679 461837090 /nfs/dbraw/zinc/83/70/90/461837090.db2.gz KBLIHIHPFWNTEF-ZIFCJYIRSA-N 2 0 331.529 3.035 20 0 EGADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647791644 461837277 /nfs/dbraw/zinc/83/72/77/461837277.db2.gz JQXPGYYTDXSGDL-GZBFAFLISA-N 2 0 328.378 3.062 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1Cl ZINC000647794109 461838153 /nfs/dbraw/zinc/83/81/53/461838153.db2.gz RHAZDSLNLJSMMN-YJNKXOJESA-N 2 0 337.870 3.036 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccn1 ZINC000647793649 461838433 /nfs/dbraw/zinc/83/84/33/461838433.db2.gz CQGRSLLAAVOQKG-LHUKNYEISA-N 2 0 337.467 3.157 20 0 EGADRP Clc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000647798015 461841736 /nfs/dbraw/zinc/84/17/36/461841736.db2.gz KAPRJWUBUSHRRB-JHJVBQTASA-N 2 0 329.271 3.350 20 0 EGADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccco2)cc1 ZINC000647799694 461841772 /nfs/dbraw/zinc/84/17/72/461841772.db2.gz OHCBDLRHKAYXJA-VIPLHTEESA-N 2 0 326.440 3.355 20 0 EGADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799953 461842043 /nfs/dbraw/zinc/84/20/43/461842043.db2.gz VJQAMILVJDKUDH-ZXFNITATSA-N 2 0 329.463 3.226 20 0 EGADRP COCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879574 461869054 /nfs/dbraw/zinc/86/90/54/461869054.db2.gz RJQQGJAIRRDAFK-ZIAGYGMSSA-N 2 0 330.394 3.324 20 0 EGADRP COc1ccc(-c2nc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cs2)cc1 ZINC000666950971 461885313 /nfs/dbraw/zinc/88/53/13/461885313.db2.gz UTAPFCVCKSMYSH-MRXNPFEDSA-N 2 0 329.469 3.050 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)s2)cn1 ZINC000656783335 461892072 /nfs/dbraw/zinc/89/20/72/461892072.db2.gz PLHNHDZMQIDIJS-MRXNPFEDSA-N 2 0 344.528 3.360 20 0 EGADRP COCCCOc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785226 461895917 /nfs/dbraw/zinc/89/59/17/461895917.db2.gz KUHOYLLHCDVTQO-HXUWFJFHSA-N 2 0 346.515 3.314 20 0 EGADRP CCn1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c2ccccc21 ZINC000656785274 461896409 /nfs/dbraw/zinc/89/64/09/461896409.db2.gz GLCXPXKJZTVOBM-QGZVFWFLSA-N 2 0 326.488 3.268 20 0 EGADRP Cn1cc(-c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)s2)cn1 ZINC000656786176 461897023 /nfs/dbraw/zinc/89/70/23/461897023.db2.gz LVORFKQVNDQRRU-INIZCTEOSA-N 2 0 344.528 3.360 20 0 EGADRP c1ccc(-c2ncc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cn2)cc1 ZINC000656786216 461898051 /nfs/dbraw/zinc/89/80/51/461898051.db2.gz PUHRARMBDZBBLZ-FQEVSTJZSA-N 2 0 336.483 3.355 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788913 461899580 /nfs/dbraw/zinc/89/95/80/461899580.db2.gz FZQBMWWFUQPCQL-NSHDSACASA-N 2 0 329.257 3.380 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650706277 461899907 /nfs/dbraw/zinc/89/99/07/461899907.db2.gz HTMGGAYPOKNGOQ-HDMKZQKVSA-N 2 0 338.879 3.067 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706111 461900301 /nfs/dbraw/zinc/90/03/01/461900301.db2.gz DJBXJNPKPAATAU-DAYGRLMNSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706070 461900472 /nfs/dbraw/zinc/90/04/72/461900472.db2.gz CUWXSIGIAUQVQD-QKNQBKEWSA-N 2 0 346.515 3.440 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000650707596 461902119 /nfs/dbraw/zinc/90/21/19/461902119.db2.gz JCVVBBNARAAOOD-ZMSDIMECSA-N 2 0 335.517 3.129 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660655148 461905688 /nfs/dbraw/zinc/90/56/88/461905688.db2.gz KOIODGXQJDNFEW-HNAYVOBHSA-N 2 0 347.528 3.153 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723759 461915709 /nfs/dbraw/zinc/91/57/09/461915709.db2.gz SXTGZEQEHXQZOI-MISYRCLQSA-N 2 0 332.488 3.335 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975085 461917131 /nfs/dbraw/zinc/91/71/31/461917131.db2.gz KENVEPBFIDZIHL-JKSUJKDBSA-N 2 0 349.906 3.299 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976147 461919644 /nfs/dbraw/zinc/91/96/44/461919644.db2.gz KSESALXSHUJWOS-GBESFXJTSA-N 2 0 343.515 3.342 20 0 EGADRP Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647978212 461920314 /nfs/dbraw/zinc/92/03/14/461920314.db2.gz OJICJRRTHLISQG-CABCVRRESA-N 2 0 344.434 3.087 20 0 EGADRP c1ccc(CCOCCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978271 461920797 /nfs/dbraw/zinc/92/07/97/461920797.db2.gz PDUYKVLTKQZJMO-SFTDATJTSA-N 2 0 330.516 3.347 20 0 EGADRP COc1cccc(C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C2CC2)c1 ZINC000650753641 461934332 /nfs/dbraw/zinc/93/43/32/461934332.db2.gz RZCSHUWVKOJIPX-FQEVSTJZSA-N 2 0 328.431 3.404 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)OCCCO2 ZINC000650752734 461935352 /nfs/dbraw/zinc/93/53/52/461935352.db2.gz ZEVRJPUKEIGJFH-ZDUSSCGKSA-N 2 0 330.403 3.297 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650764260 461941592 /nfs/dbraw/zinc/94/15/92/461941592.db2.gz USJMPZROKFKHLX-UHFFFAOYSA-N 2 0 335.923 3.284 20 0 EGADRP Cc1nc(C)c(Br)c(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000664137915 461953821 /nfs/dbraw/zinc/95/38/21/461953821.db2.gz ZIMGEQLZKNFEQO-GFCCVEGCSA-N 2 0 341.297 3.388 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1cccc(OC3CCCC3)c1)CCO2 ZINC000648071424 461968225 /nfs/dbraw/zinc/96/82/25/461968225.db2.gz AMZHHURXXWOUIQ-UHFFFAOYSA-N 2 0 344.499 3.305 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594239 462008124 /nfs/dbraw/zinc/00/81/24/462008124.db2.gz YEQUWCXSCPLSBL-MSOLQXFVSA-N 2 0 326.488 3.233 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657293934 462022903 /nfs/dbraw/zinc/02/29/03/462022903.db2.gz XMYPLNAMQGYKPD-PXNSSMCTSA-N 2 0 332.488 3.208 20 0 EGADRP COc1ncc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC000639659476 462044080 /nfs/dbraw/zinc/04/40/80/462044080.db2.gz MLOLTVJPCBEZCJ-FQEVSTJZSA-N 2 0 325.456 3.161 20 0 EGADRP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000639701800 462067586 /nfs/dbraw/zinc/06/75/86/462067586.db2.gz BGVYJVAZDLPUHC-UHFFFAOYSA-N 2 0 331.847 3.456 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)c1 ZINC000657398867 462096381 /nfs/dbraw/zinc/09/63/81/462096381.db2.gz DQUWHFMJZOHPAH-LEWJYISDSA-N 2 0 346.515 3.251 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667590011 462161808 /nfs/dbraw/zinc/16/18/08/462161808.db2.gz IWSHDLNHTMKWJY-UHFFFAOYSA-N 2 0 338.499 3.173 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)COC)cc2)C[C@H]1C ZINC000667664557 462198391 /nfs/dbraw/zinc/19/83/91/462198391.db2.gz NUPSWQGSNFIXDA-LMMKCTJWSA-N 2 0 334.504 3.405 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667688328 462216379 /nfs/dbraw/zinc/21/63/79/462216379.db2.gz NPXAVAKZOFFJPG-KRWDZBQOSA-N 2 0 330.520 3.306 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1 ZINC000657693896 462233176 /nfs/dbraw/zinc/23/31/76/462233176.db2.gz QGAZFOHYUKBWAR-FQEVSTJZSA-N 2 0 326.440 3.110 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1)c1ccccc1 ZINC000648784585 462276666 /nfs/dbraw/zinc/27/66/66/462276666.db2.gz XLIQTAFQBKHFHO-YQVWRLOYSA-N 2 0 343.515 3.106 20 0 EGADRP CCn1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000657813258 462280133 /nfs/dbraw/zinc/28/01/33/462280133.db2.gz MEQIYUBHGLBMEJ-UHFFFAOYSA-N 2 0 326.488 3.268 20 0 EGADRP c1onc(Cc2ccccc2)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657815941 462280701 /nfs/dbraw/zinc/28/07/01/462280701.db2.gz SPVRNXSXPWPLAS-UHFFFAOYSA-N 2 0 339.483 3.477 20 0 EGADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657843510 462293868 /nfs/dbraw/zinc/29/38/68/462293868.db2.gz CVVMAWNDJWZXHK-IAGOWNOFSA-N 2 0 344.421 3.073 20 0 EGADRP CN1CC[C@@H]([NH2+]CCN2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385444 462308514 /nfs/dbraw/zinc/30/85/14/462308514.db2.gz KLBXIWHYLRUYFS-DHIUTWEWSA-N 2 0 349.522 3.470 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000657906971 462313420 /nfs/dbraw/zinc/31/34/20/462313420.db2.gz CXZRWKZEMPTWCW-GOSISDBHSA-N 2 0 338.923 3.486 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]2(C)C2CCCCC2)CC1 ZINC000640220825 462319216 /nfs/dbraw/zinc/31/92/16/462319216.db2.gz YHECLGRIHROYMT-FQEVSTJZSA-N 2 0 335.536 3.020 20 0 EGADRP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000651758879 462327032 /nfs/dbraw/zinc/32/70/32/462327032.db2.gz QXLGYCIXBUNKPE-VQTJNVASSA-N 2 0 348.531 3.184 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000645471736 462339465 /nfs/dbraw/zinc/33/94/65/462339465.db2.gz AIYJCNCHCPJBHQ-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000661645427 462346344 /nfs/dbraw/zinc/34/63/44/462346344.db2.gz RBKGYKMYAUMFOH-NHCUHLMSSA-N 2 0 329.532 3.110 20 0 EGADRP Clc1cc(Cl)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665229373 462360018 /nfs/dbraw/zinc/36/00/18/462360018.db2.gz WYSCKCKKDNCWJO-BZUAXINKSA-N 2 0 329.271 3.240 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000665240569 462364980 /nfs/dbraw/zinc/36/49/80/462364980.db2.gz NTNMIYKQGLAFIN-LEWJYISDSA-N 3 0 336.483 3.028 20 0 EGADRP [NH3+][C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000665258532 462373118 /nfs/dbraw/zinc/37/31/18/462373118.db2.gz CRVJLZQUSXLOIN-GEALJGNFSA-N 2 0 325.431 3.006 20 0 EGADRP CCCCCN(CC[NH2+]C1CCN(C(C)=O)CC1)Cc1ccccc1 ZINC000651910660 462376894 /nfs/dbraw/zinc/37/68/94/462376894.db2.gz COWGLGGKKPNQFZ-UHFFFAOYSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@H+](CCCNCc1cnc(N2CCCC2)nc1)C1CCCCC1 ZINC000651909677 462377405 /nfs/dbraw/zinc/37/74/05/462377405.db2.gz SKUDGQNOOIOMKT-UHFFFAOYSA-N 2 0 345.535 3.211 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658091086 462380551 /nfs/dbraw/zinc/38/05/51/462380551.db2.gz KXSPKZHNVCTROC-DFQSSKMNSA-N 2 0 329.532 3.359 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658167813 462417050 /nfs/dbraw/zinc/41/70/50/462417050.db2.gz ULZBJEQNQYCHTB-MOPGFXCFSA-N 2 0 331.504 3.087 20 0 EGADRP COc1ccc(-c2cc(C[NH2+][C@@H](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000658185386 462422896 /nfs/dbraw/zinc/42/28/96/462422896.db2.gz CKJNAOFVNOYYIK-AWEZNQCLSA-N 2 0 329.444 3.170 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000640532130 462431021 /nfs/dbraw/zinc/43/10/21/462431021.db2.gz APSXZLKIHXEFGP-HXUWFJFHSA-N 2 0 343.515 3.204 20 0 EGADRP c1cc(C[NH+]2CCC(N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)ccn1 ZINC000658227435 462434701 /nfs/dbraw/zinc/43/47/01/462434701.db2.gz BIAPSPNNVFSKGE-FQEVSTJZSA-N 2 0 342.531 3.043 20 0 EGADRP CC(C)C[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000652149023 462451628 /nfs/dbraw/zinc/45/16/28/462451628.db2.gz OQQHWLYBZAPBJX-XLIONFOSSA-N 2 0 335.511 3.386 20 0 EGADRP CC(C)([NH3+])CCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000649291617 462469646 /nfs/dbraw/zinc/46/96/46/462469646.db2.gz FDQQXIJDXWXQLU-INIZCTEOSA-N 2 0 337.895 3.111 20 0 EGADRP Cc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000649317077 462478493 /nfs/dbraw/zinc/47/84/93/462478493.db2.gz FKINJEDOMLSOHY-HOTGVXAUSA-N 2 0 327.472 3.265 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC1([NH3+])CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000645964370 462480547 /nfs/dbraw/zinc/48/05/47/462480547.db2.gz GSFVQIXSJAPOOG-FUHWJXTLSA-N 2 0 331.504 3.140 20 0 EGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658357335 462489069 /nfs/dbraw/zinc/48/90/69/462489069.db2.gz SXBDSJNDTOVHRJ-HNNXBMFYSA-N 2 0 329.488 3.418 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000178409401 533846571 /nfs/dbraw/zinc/84/65/71/533846571.db2.gz GQASGOUMASTPLP-INIZCTEOSA-N 2 0 331.460 3.170 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000166432010 533892569 /nfs/dbraw/zinc/89/25/69/533892569.db2.gz WNGSWBNGALJLCW-GFCCVEGCSA-N 2 0 336.277 3.427 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)CN1CC[NH+](C)CC1 ZINC000180871458 534061613 /nfs/dbraw/zinc/06/16/13/534061613.db2.gz MSJLBBYKVDLBGS-KRWDZBQOSA-N 2 0 343.471 3.045 20 0 EGADRP CC(C)C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433123322 517426756 /nfs/dbraw/zinc/42/67/56/517426756.db2.gz UNFADTBWWHSPHQ-LJQANCHMSA-N 2 0 331.504 3.093 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180992065 527535021 /nfs/dbraw/zinc/53/50/21/527535021.db2.gz DPDCCZDWJTVPQA-CAVPUYEOSA-N 2 0 336.479 3.446 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000178692099 528719935 /nfs/dbraw/zinc/71/99/35/528719935.db2.gz PLZJJPLLSZRSIT-ZWKOTPCHSA-N 2 0 333.520 3.010 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000177825469 529013666 /nfs/dbraw/zinc/01/36/66/529013666.db2.gz GNQZMNDRNFFUOV-HXUWFJFHSA-N 2 0 338.499 3.464 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000159120782 529015992 /nfs/dbraw/zinc/01/59/92/529015992.db2.gz CMGKSDRFTSDDQF-HXUWFJFHSA-N 2 0 338.499 3.464 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000173385321 529148015 /nfs/dbraw/zinc/14/80/15/529148015.db2.gz SUSNXAVNNCRFCO-IAGOWNOFSA-N 2 0 335.561 3.333 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000132444412 529177240 /nfs/dbraw/zinc/17/72/40/529177240.db2.gz LQFYJMSINCHMSE-RTBURBONSA-N 2 0 339.474 3.278 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351695829 535551049 /nfs/dbraw/zinc/55/10/49/535551049.db2.gz PWLDDVRRLRXTOU-SFHVURJKSA-N 2 0 349.519 3.192 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000344856113 535580449 /nfs/dbraw/zinc/58/04/49/535580449.db2.gz YTAUMXCMSQEUKA-AZUAARDMSA-N 2 0 341.503 3.258 20 0 EGADRP CC[NH+]1CCN(c2ccccc2CNc2[nH+]ccn2CC(C)C)CC1 ZINC000351550463 535754582 /nfs/dbraw/zinc/75/45/82/535754582.db2.gz LLFGYDMEJWVBST-UHFFFAOYSA-N 2 0 341.503 3.293 20 0 EGADRP Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091930599 546668737 /nfs/dbraw/zinc/66/87/37/546668737.db2.gz NOXCPJCJKMDFIP-UHFFFAOYSA-N 2 0 335.879 3.251 20 0 EGADRP CC[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000123133445 546738699 /nfs/dbraw/zinc/73/86/99/546738699.db2.gz KFVUCWJIVXSTAK-UWJYYQICSA-N 2 0 329.532 3.143 20 0 EGADRP CCC[NH+]1CCC(Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC1 ZINC000132094633 546811066 /nfs/dbraw/zinc/81/10/66/546811066.db2.gz OOIMGLGCYQQARV-UHFFFAOYSA-N 2 0 345.531 3.177 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000155437166 546903067 /nfs/dbraw/zinc/90/30/67/546903067.db2.gz FTFAQTADSKCWOV-IIBYNOLFSA-N 2 0 337.467 3.398 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C1CC[NH+](C)CC1 ZINC000159112954 546935113 /nfs/dbraw/zinc/93/51/13/546935113.db2.gz BPWZBEJRKFGQAF-LSDHHAIUSA-N 2 0 344.503 3.351 20 0 EGADRP C[C@@]([NH3+])(C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000192519373 547200074 /nfs/dbraw/zinc/20/00/74/547200074.db2.gz NNXCWKKKZMIKFP-NRFANRHFSA-N 2 0 337.467 3.485 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000245591609 547265788 /nfs/dbraw/zinc/26/57/88/547265788.db2.gz ABNOPERELKBEIO-ROUUACIJSA-N 2 0 330.520 3.032 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339226317 547571406 /nfs/dbraw/zinc/57/14/06/547571406.db2.gz LLCDXIBFHDITSS-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000361371076 547762421 /nfs/dbraw/zinc/76/24/21/547762421.db2.gz DWIYZTIWDLWSRF-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362517434 547770434 /nfs/dbraw/zinc/77/04/34/547770434.db2.gz ZSNWHMYIUTWWIQ-LJQANCHMSA-N 2 0 348.849 3.336 20 0 EGADRP Brc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000414839518 547860639 /nfs/dbraw/zinc/86/06/39/547860639.db2.gz XQXQEQDDWLIDPS-LBPRGKRZSA-N 2 0 334.261 3.087 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744018 548350276 /nfs/dbraw/zinc/35/02/76/548350276.db2.gz QDFVPHBTFCAFQT-ZNMIVQPWSA-N 2 0 347.459 3.073 20 0 EGADRP CC1(C)C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)CN1Cc1ccccc1 ZINC000672614646 548452954 /nfs/dbraw/zinc/45/29/54/548452954.db2.gz GXMIXAQQPMEOKA-LEWJYISDSA-N 2 0 338.495 3.233 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000674003551 548669030 /nfs/dbraw/zinc/66/90/30/548669030.db2.gz ATLPBQRUZMBIPY-UHFFFAOYSA-N 2 0 347.503 3.258 20 0 EGADRP Fc1ccc2c(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000675635334 548947765 /nfs/dbraw/zinc/94/77/65/548947765.db2.gz FCTVOHIVDARDRG-MJGOQNOKSA-N 2 0 329.419 3.429 20 0 EGADRP C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000675738271 548970849 /nfs/dbraw/zinc/97/08/49/548970849.db2.gz OQGOYXXENQVLMG-KDOFPFPSSA-N 2 0 346.906 3.483 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000675744269 548972588 /nfs/dbraw/zinc/97/25/88/548972588.db2.gz MERDCBVSLOTCEV-UHFFFAOYSA-N 2 0 344.425 3.366 20 0 EGADRP C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)C1CC[NH+](C)CC1 ZINC000675744175 548972783 /nfs/dbraw/zinc/97/27/83/548972783.db2.gz GGAZNLCZPGHQND-CYBMUJFWSA-N 2 0 344.425 3.222 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000675747602 548973591 /nfs/dbraw/zinc/97/35/91/548973591.db2.gz AGDQIBPSWYQGJP-GOSISDBHSA-N 2 0 340.515 3.352 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000675818697 548988148 /nfs/dbraw/zinc/98/81/48/548988148.db2.gz HOAWFAHXALIMPC-INIZCTEOSA-N 2 0 329.488 3.196 20 0 EGADRP C[C@H](CC1CCC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000675832228 548991605 /nfs/dbraw/zinc/99/16/05/548991605.db2.gz JYNUWJXSHRPSPX-UZLBHIALSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCOc2ccccc2)cc1 ZINC000676413477 549084941 /nfs/dbraw/zinc/08/49/41/549084941.db2.gz UMHZNTQJVOJZBJ-UHFFFAOYSA-N 2 0 328.456 3.138 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000676530379 549106631 /nfs/dbraw/zinc/10/66/31/549106631.db2.gz ULIAHGNWCCYAIJ-KRWDZBQOSA-N 2 0 349.519 3.219 20 0 EGADRP CC[N@H+](CCCC1CC[NH+]([C@@H]2CCCOC2)CC1)[C@@H]1CCCOC1 ZINC000677992661 549371840 /nfs/dbraw/zinc/37/18/40/549371840.db2.gz NYQFWPWZAQDZSR-WOJBJXKFSA-N 2 0 338.536 3.159 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1O ZINC000678139508 549407615 /nfs/dbraw/zinc/40/76/15/549407615.db2.gz YTJABLXCCVJNCE-UHFFFAOYSA-N 2 0 332.488 3.489 20 0 EGADRP CCC1(O)CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678548809 549517455 /nfs/dbraw/zinc/51/74/55/549517455.db2.gz PYXIETVNDYNTHM-PPDQVPDSSA-N 2 0 334.504 3.361 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000678802843 549564443 /nfs/dbraw/zinc/56/44/43/549564443.db2.gz CWCRZSPHBPERRY-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nc3c(s2)CCCC3)C[C@@H](C)O1 ZINC000678950642 549602138 /nfs/dbraw/zinc/60/21/38/549602138.db2.gz DHSLPYYDUHFBNS-HUUCEWRRSA-N 2 0 337.533 3.001 20 0 EGADRP CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000679028598 549619951 /nfs/dbraw/zinc/61/99/51/549619951.db2.gz VGMYQZBLTZKERT-AZUAARDMSA-N 2 0 334.504 3.310 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679143772 549643757 /nfs/dbraw/zinc/64/37/57/549643757.db2.gz ZTEWSSRLFXMCBL-MAUKXSAKSA-N 2 0 333.545 3.438 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000680335082 549851035 /nfs/dbraw/zinc/85/10/35/549851035.db2.gz LLUGNJSJAYIWHI-OAHLLOKOSA-N 2 0 333.501 3.319 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C ZINC000681642613 550021449 /nfs/dbraw/zinc/02/14/49/550021449.db2.gz VSLNYRQBLVUQFE-LJQANCHMSA-N 2 0 345.531 3.086 20 0 EGADRP COc1cc(C)c([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000682070151 550068241 /nfs/dbraw/zinc/06/82/41/550068241.db2.gz KIWQEJMWLVUVOF-QZTJIDSGSA-N 2 0 348.531 3.398 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000684559949 550343188 /nfs/dbraw/zinc/34/31/88/550343188.db2.gz BUNFCWOPKKMVRQ-VXGBXAGGSA-N 2 0 326.282 3.225 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OCC ZINC000685470761 550421010 /nfs/dbraw/zinc/42/10/10/550421010.db2.gz QAFHBFSFBUBAON-MSOLQXFVSA-N 2 0 332.488 3.400 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470453 550421461 /nfs/dbraw/zinc/42/14/61/550421461.db2.gz QDNWFEIAIFIMOU-XJKSGUPXSA-N 2 0 338.879 3.273 20 0 EGADRP Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000685632905 550434636 /nfs/dbraw/zinc/43/46/36/550434636.db2.gz CFAOALIDJZVCKY-LJQANCHMSA-N 2 0 340.467 3.029 20 0 EGADRP Cc1ccc(-c2nc(=S)n(CN3CCC(C[NH+](C)C)CC3)[nH]2)cc1 ZINC000738075752 574655435 /nfs/dbraw/zinc/65/54/35/574655435.db2.gz IRZNWSWVHFQLNP-UHFFFAOYSA-N 2 0 345.516 3.147 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000729284790 574835318 /nfs/dbraw/zinc/83/53/18/574835318.db2.gz MKHRDNSPTAUEPK-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000729348139 574844954 /nfs/dbraw/zinc/84/49/54/574844954.db2.gz MFTITTNIOKOPOA-GUDVDZBRSA-N 2 0 335.536 3.116 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000309884260 574980865 /nfs/dbraw/zinc/98/08/65/574980865.db2.gz YFGLZAKZSGAUPY-OAHLLOKOSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@@H]1CN(CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C[C@@H](C)O1 ZINC000731674872 575196733 /nfs/dbraw/zinc/19/67/33/575196733.db2.gz GFFNRBXHIINFSO-IAGOWNOFSA-N 2 0 346.515 3.379 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000732273852 575252496 /nfs/dbraw/zinc/25/24/96/575252496.db2.gz DRPLUONLBMZRQW-OTWHNJEPSA-N 2 0 337.552 3.362 20 0 EGADRP Fc1ccc2c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc[nH+]c2c1 ZINC000733299757 575326200 /nfs/dbraw/zinc/32/62/00/575326200.db2.gz IXJFFHFFYNPMQX-INIZCTEOSA-N 2 0 329.419 3.429 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323670 576254054 /nfs/dbraw/zinc/25/40/54/576254054.db2.gz BSFDKMLAHFKYHB-AZUAARDMSA-N 3 0 329.532 3.219 20 0 EGADRP Cc1c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)sc2nc(C)nc(C)c12 ZINC000742733863 576794515 /nfs/dbraw/zinc/79/45/15/576794515.db2.gz HMALJUHWYFLHJK-HNNXBMFYSA-N 2 0 332.517 3.436 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000379551756 1297532532 /nfs/dbraw/zinc/53/25/32/1297532532.db2.gz RCUNBLBKPFWGHD-HNNXBMFYSA-N 2 0 339.524 3.285 20 0 EGADRP CN(Cc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000404569280 1297757577 /nfs/dbraw/zinc/75/75/77/1297757577.db2.gz GLOCHRTXKDWOFO-MRXNPFEDSA-N 2 0 347.503 3.143 20 0 EGADRP C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1Br ZINC000719460090 1298316309 /nfs/dbraw/zinc/31/63/09/1298316309.db2.gz GBHHWVTVPLDIBE-JTQLQIEISA-N 2 0 328.641 3.477 20 0 EGADRP C[C@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000691736560 1298137961 /nfs/dbraw/zinc/13/79/61/1298137961.db2.gz WWMSBSZDJSKPLW-ICSRJNTNSA-N 3 0 327.516 3.115 20 0 EGADRP CC(C)(C)OC(=O)NCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000698111823 1298167541 /nfs/dbraw/zinc/16/75/41/1298167541.db2.gz KUCGIPXODUOVBF-IAGOWNOFSA-N 2 0 339.524 3.288 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)nc1 ZINC000840809726 1321153423 /nfs/dbraw/zinc/15/34/23/1321153423.db2.gz NDRQZHQCENMWFF-QWHCGFSZSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@@H](COc1cccc(F)c1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000060527668 1291927494 /nfs/dbraw/zinc/92/74/94/1291927494.db2.gz SLIBYIZTQZVKGC-INIZCTEOSA-N 2 0 346.446 3.323 20 0 EGADRP Cc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1F ZINC000067121421 1292148331 /nfs/dbraw/zinc/14/83/31/1292148331.db2.gz HIPZYTAGMCHXOJ-OAQYLSRUSA-N 2 0 341.474 3.212 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000067671743 1292167857 /nfs/dbraw/zinc/16/78/57/1292167857.db2.gz FWWMUOYGKJZFBK-CYBMUJFWSA-N 2 0 330.303 3.109 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000069171285 1292234955 /nfs/dbraw/zinc/23/49/55/1292234955.db2.gz CGUJZVMSOVDVBI-FQEVSTJZSA-N 2 0 343.902 3.418 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000069716245 1292249067 /nfs/dbraw/zinc/24/90/67/1292249067.db2.gz VLWPKPFTKUYGIT-UHFFFAOYSA-N 2 0 349.482 3.399 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000069711216 1292249884 /nfs/dbraw/zinc/24/98/84/1292249884.db2.gz XMUNHULWLYQXNL-UHFFFAOYSA-N 2 0 328.456 3.316 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000075762960 1292409761 /nfs/dbraw/zinc/40/97/61/1292409761.db2.gz YLQWCIAEQVDMSK-KRWDZBQOSA-N 2 0 344.330 3.355 20 0 EGADRP CO[C@H](C)C[NH+](C)Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)OC)c1 ZINC000829767619 1292616776 /nfs/dbraw/zinc/61/67/76/1292616776.db2.gz AEZDYCGEAUMRFQ-HUUCEWRRSA-N 2 0 342.911 3.273 20 0 EGADRP CN(C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000089426633 1292769316 /nfs/dbraw/zinc/76/93/16/1292769316.db2.gz MLLCYQDUGATIDF-IRXDYDNUSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000090079257 1292786540 /nfs/dbraw/zinc/78/65/40/1292786540.db2.gz ICHTXHMDBNJGLK-NHYWBVRUSA-N 2 0 331.287 3.347 20 0 EGADRP CCn1nc(C)c(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)c1C ZINC000105423443 1293035334 /nfs/dbraw/zinc/03/53/34/1293035334.db2.gz VZBJHBABAJEVOA-UHFFFAOYSA-N 2 0 341.434 3.443 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000119356032 1293267083 /nfs/dbraw/zinc/26/70/83/1293267083.db2.gz UZYMFCLKTSDVKF-KRWDZBQOSA-N 2 0 335.879 3.335 20 0 EGADRP Oc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1F ZINC000120491808 1293324128 /nfs/dbraw/zinc/32/41/28/1293324128.db2.gz XKTPINOBVMEQLZ-UHFFFAOYSA-N 2 0 344.430 3.296 20 0 EGADRP CC(C)c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000126034115 1293523155 /nfs/dbraw/zinc/52/31/55/1293523155.db2.gz QVLQYTDROFJIRT-UHFFFAOYSA-N 2 0 329.532 3.458 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)cc1Br ZINC000136309299 1293814416 /nfs/dbraw/zinc/81/44/16/1293814416.db2.gz AFJWHDIVGKAXCJ-CQSZACIVSA-N 2 0 347.272 3.035 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000136603933 1293819426 /nfs/dbraw/zinc/81/94/26/1293819426.db2.gz ASDLWTJRZPDWDR-PMACEKPBSA-N 2 0 339.483 3.092 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000152543999 1293973814 /nfs/dbraw/zinc/97/38/14/1293973814.db2.gz SQVKDZIBGSMFAC-IBGZPJMESA-N 2 0 346.496 3.046 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)CCCO2 ZINC000152892957 1293989768 /nfs/dbraw/zinc/98/97/68/1293989768.db2.gz CSYHWPROOUZXOJ-FQEVSTJZSA-N 2 0 345.531 3.080 20 0 EGADRP Cc1nn(C)cc1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000162062693 1294306994 /nfs/dbraw/zinc/30/69/94/1294306994.db2.gz WEBSLYAWYNZJHW-UHFFFAOYSA-N 2 0 346.906 3.384 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163148138 1294329730 /nfs/dbraw/zinc/32/97/30/1294329730.db2.gz XOCSBIDGHHABIL-ZDUSSCGKSA-N 2 0 336.373 3.291 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])cc21 ZINC000169236305 1294368980 /nfs/dbraw/zinc/36/89/80/1294368980.db2.gz QWDXWJIJGWOCCW-MSOLQXFVSA-N 2 0 342.487 3.049 20 0 EGADRP COc1ccc([C@@H](C)NCCC[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000182191561 1295026218 /nfs/dbraw/zinc/02/62/18/1295026218.db2.gz QWBKPTXFCNOYNB-QGZVFWFLSA-N 2 0 333.520 3.283 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)ccc1OC ZINC000187677896 1295409110 /nfs/dbraw/zinc/40/91/10/1295409110.db2.gz OGRZDQKQUAVQIP-KYNGSXCRSA-N 2 0 334.504 3.347 20 0 EGADRP O=C(CC[NH2+]CC1CC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000870875409 1296125597 /nfs/dbraw/zinc/12/55/97/1296125597.db2.gz NIBFKFUXUWVNQB-UHFFFAOYSA-N 2 0 343.515 3.069 20 0 EGADRP CC(C)[NH+]1CCC(NCc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000236602591 1296192131 /nfs/dbraw/zinc/19/21/31/1296192131.db2.gz KFSNSTIASNUCGE-FQEVSTJZSA-N 2 0 332.488 3.207 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000236718564 1296198697 /nfs/dbraw/zinc/19/86/97/1296198697.db2.gz FWLPJDYWHYFXHC-UHFFFAOYSA-N 2 0 347.503 3.173 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCCC[NH3+])C1 ZINC000237553776 1296249875 /nfs/dbraw/zinc/24/98/75/1296249875.db2.gz QYGHBPDOMNKDSK-QGZVFWFLSA-N 2 0 331.504 3.054 20 0 EGADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246597867 1296362444 /nfs/dbraw/zinc/36/24/44/1296362444.db2.gz ZYPQUBDBLNGKMF-GJZGRUSLSA-N 2 0 328.378 3.344 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000309939996 1297079408 /nfs/dbraw/zinc/07/94/08/1297079408.db2.gz FAWJPLYHDOZLEW-DLBZAZTESA-N 2 0 339.524 3.288 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000310053356 1297086014 /nfs/dbraw/zinc/08/60/14/1297086014.db2.gz NXISXXJWCBYRKX-DOTOQJQBSA-N 2 0 339.524 3.049 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000325508059 1297226575 /nfs/dbraw/zinc/22/65/75/1297226575.db2.gz HYMUUNCUHUHLKC-MOPGFXCFSA-N 2 0 331.504 3.052 20 0 EGADRP O=C(c1ccccc1)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201247 1297345766 /nfs/dbraw/zinc/34/57/66/1297345766.db2.gz AVUMARANOMIQSE-UHFFFAOYSA-N 2 0 340.492 3.489 20 0 EGADRP Fc1cccc(O[C@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)c1 ZINC000873207794 1297351565 /nfs/dbraw/zinc/35/15/65/1297351565.db2.gz CTSHKSBLLDJLEC-INIZCTEOSA-N 2 0 332.444 3.186 20 0 EGADRP COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873207444 1297352593 /nfs/dbraw/zinc/35/25/93/1297352593.db2.gz BVCOXYNNELEGHU-KRWDZBQOSA-N 2 0 330.497 3.083 20 0 EGADRP Cc1ccnc(OC2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)c1 ZINC000873208667 1297354261 /nfs/dbraw/zinc/35/42/61/1297354261.db2.gz FRIFRVDCNWZPSX-UHFFFAOYSA-N 2 0 343.496 3.141 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)ncc1F ZINC000873239316 1297382368 /nfs/dbraw/zinc/38/23/68/1297382368.db2.gz SPVJZHLASKQIOB-DCAQKATOSA-N 2 0 330.245 3.151 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000873255448 1297393006 /nfs/dbraw/zinc/39/30/06/1297393006.db2.gz HGPWONCVTXESNZ-MUIFIZLQSA-N 2 0 336.451 3.162 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000873259911 1297395328 /nfs/dbraw/zinc/39/53/28/1297395328.db2.gz OJSFUCYWWISIKK-TUFGIGEDSA-N 2 0 342.487 3.152 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000873263531 1297396894 /nfs/dbraw/zinc/39/68/94/1297396894.db2.gz JBHYAFZUMQZTDK-VAPOBVKCSA-N 3 0 339.527 3.302 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873291430 1297412920 /nfs/dbraw/zinc/41/29/20/1297412920.db2.gz GQZMVEHJHNZUDI-PKOBYXMFSA-N 2 0 348.918 3.409 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291589 1297414264 /nfs/dbraw/zinc/41/42/64/1297414264.db2.gz KTNZVURONDSKQE-UKRRQHHQSA-N 2 0 337.533 3.384 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000873296602 1297417281 /nfs/dbraw/zinc/41/72/81/1297417281.db2.gz JOINBRKKCUZQRP-CADBVGFASA-N 2 0 336.907 3.144 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000355859079 1297460681 /nfs/dbraw/zinc/46/06/81/1297460681.db2.gz VYOWXUYYXDUNFM-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000378877972 1297524280 /nfs/dbraw/zinc/52/42/80/1297524280.db2.gz CJMSYICMQSMKSG-QGZVFWFLSA-N 2 0 344.330 3.355 20 0 EGADRP C[C@@H]([NH3+])c1ccc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000386282650 1297589354 /nfs/dbraw/zinc/58/93/54/1297589354.db2.gz BFFVJYWWGAYVQN-HZPDHXFCSA-N 2 0 340.471 3.348 20 0 EGADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000398044885 1297712200 /nfs/dbraw/zinc/71/22/00/1297712200.db2.gz QYUPUJHWLTUZLS-GHTZIAJQSA-N 2 0 331.548 3.463 20 0 EGADRP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cc2C1 ZINC000404757321 1297758808 /nfs/dbraw/zinc/75/88/08/1297758808.db2.gz GENKDBCJAWEWPP-SJORKVTESA-N 2 0 345.487 3.153 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000693912853 1298153293 /nfs/dbraw/zinc/15/32/93/1298153293.db2.gz SHKFZBPIECOPHD-XJKSGUPXSA-N 2 0 325.294 3.454 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC000700506789 1298176248 /nfs/dbraw/zinc/17/62/48/1298176248.db2.gz ARBZYIHPRGNLBT-MLGOLLRUSA-N 2 0 325.294 3.236 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715036113 1298277557 /nfs/dbraw/zinc/27/75/57/1298277557.db2.gz CHJHWMVDBRTJJH-NHCUHLMSSA-N 3 0 329.532 3.492 20 0 EGADRP CN(Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1)C(=O)OC(C)(C)C ZINC000724069253 1298347218 /nfs/dbraw/zinc/34/72/18/1298347218.db2.gz PBRZTNOXRLPFQP-QAPCUYQASA-N 2 0 347.503 3.271 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000746178313 1298548499 /nfs/dbraw/zinc/54/84/99/1298548499.db2.gz MTKUEGWNWJONCX-CALCHBBNSA-N 2 0 335.536 3.020 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000877136583 1299175632 /nfs/dbraw/zinc/17/56/32/1299175632.db2.gz IHTHZIHOOVQWCB-XUVXKRRUSA-N 2 0 335.451 3.104 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877479916 1299332289 /nfs/dbraw/zinc/33/22/89/1299332289.db2.gz YKBIPEINIWHNII-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccnc3Br)C2)CC1 ZINC000877528814 1299372909 /nfs/dbraw/zinc/37/29/09/1299372909.db2.gz LIRDBIUZCSIALL-AWEZNQCLSA-N 2 0 338.293 3.008 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000750860273 1299465698 /nfs/dbraw/zinc/46/56/98/1299465698.db2.gz BMTRFEIFSJMXES-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)N(C)c1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cn1 ZINC000877684718 1299478126 /nfs/dbraw/zinc/47/81/26/1299478126.db2.gz UOQJBGAHTWIWCP-UHFFFAOYSA-N 2 0 330.520 3.234 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)CC1 ZINC000877747018 1299522734 /nfs/dbraw/zinc/52/27/34/1299522734.db2.gz ROAZMMQYTGGANP-UHFFFAOYSA-N 2 0 341.474 3.191 20 0 EGADRP C[NH+]1CCC([C@@H]2CCN(Cn3nc(C(C)(C)C)oc3=S)C2)CC1 ZINC000755779631 1300395628 /nfs/dbraw/zinc/39/56/28/1300395628.db2.gz KZXPDMKMTGWPAV-CQSZACIVSA-N 2 0 338.521 3.124 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000755782243 1300396924 /nfs/dbraw/zinc/39/69/24/1300396924.db2.gz YSYOPHDIRUSCAD-GOSISDBHSA-N 2 0 342.462 3.310 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000755782254 1300397665 /nfs/dbraw/zinc/39/76/65/1300397665.db2.gz YSYOPHDIRUSCAD-SFHVURJKSA-N 2 0 342.462 3.310 20 0 EGADRP C[NH+]1CCC2(CCN(Cc3noc(-c4ccsc4)n3)CC2)CC1 ZINC000879248794 1300453250 /nfs/dbraw/zinc/45/32/50/1300453250.db2.gz ULGUPRIMCQMLTH-UHFFFAOYSA-N 2 0 332.473 3.106 20 0 EGADRP COc1cncc(/C=C/CC[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC000879251001 1300454540 /nfs/dbraw/zinc/45/45/40/1300454540.db2.gz OCOJQJLCGOEZTO-HWKANZROSA-N 2 0 329.488 3.301 20 0 EGADRP C[N@@H+]1CC[C@H]2CN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568888 1300607252 /nfs/dbraw/zinc/60/72/52/1300607252.db2.gz FICZXNNFGCNVES-PZJWPPBQSA-N 2 0 349.478 3.465 20 0 EGADRP C[C@@H](CCSc1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593800 1300618497 /nfs/dbraw/zinc/61/84/97/1300618497.db2.gz NSHILWWYXIKRHQ-SFHVURJKSA-N 2 0 347.572 3.269 20 0 EGADRP CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000763961456 1301990217 /nfs/dbraw/zinc/99/02/17/1301990217.db2.gz FRGDLGIZSMSCKZ-PZJWPPBQSA-N 2 0 330.516 3.131 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000882503102 1301994435 /nfs/dbraw/zinc/99/44/35/1301994435.db2.gz UHTPYDGDXCJWFL-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP c1cc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000883462613 1302453351 /nfs/dbraw/zinc/45/33/51/1302453351.db2.gz VNQZAGLCKLGISP-LJQANCHMSA-N 2 0 328.500 3.361 20 0 EGADRP COc1ccc(OCC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768197403 1302854476 /nfs/dbraw/zinc/85/44/76/1302854476.db2.gz IYDIGMQQTRREDD-UHFFFAOYSA-N 2 0 328.456 3.268 20 0 EGADRP Cc1c(C[N@H+](C)CC2CC[NH+](C)CC2)sc2nc(C)nc(C)c12 ZINC000769331602 1303093356 /nfs/dbraw/zinc/09/33/56/1303093356.db2.gz SXFSDIFAMQJPHZ-UHFFFAOYSA-N 2 0 332.517 3.390 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000769514332 1303133159 /nfs/dbraw/zinc/13/31/59/1303133159.db2.gz JJXWAMCWWYFDPK-KRWDZBQOSA-N 2 0 346.471 3.374 20 0 EGADRP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)O2)CO1 ZINC000886769551 1303592478 /nfs/dbraw/zinc/59/24/78/1303592478.db2.gz WXLLGNYBHDAJSB-RJCIEPHCSA-N 2 0 336.520 3.100 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000886870331 1303620972 /nfs/dbraw/zinc/62/09/72/1303620972.db2.gz WFZANVMUGSMDDV-GOSISDBHSA-N 2 0 335.879 3.134 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000774160713 1303782181 /nfs/dbraw/zinc/78/21/81/1303782181.db2.gz ZRINQQAHYSGLMV-YRLHULLVSA-N 2 0 336.483 3.193 20 0 EGADRP C[C@@H]1CCCN(C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000774976089 1303884726 /nfs/dbraw/zinc/88/47/26/1303884726.db2.gz OXADCPIFCMEZRL-OAHLLOKOSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000779003679 1304517463 /nfs/dbraw/zinc/51/74/63/1304517463.db2.gz YLUPLCRXCTXNRF-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)cc1C[NH+]1CCCCC1 ZINC000783537170 1305104845 /nfs/dbraw/zinc/10/48/45/1305104845.db2.gz VRTKPHUHLDAPQK-BBWFWOEESA-N 2 0 334.504 3.491 20 0 EGADRP C[C@@H]1Cc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc2O1 ZINC000892129512 1305260314 /nfs/dbraw/zinc/26/03/14/1305260314.db2.gz AVTSHSKOWBTTKR-QGZVFWFLSA-N 2 0 344.499 3.087 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCS(=O)CC1 ZINC000892580559 1305451974 /nfs/dbraw/zinc/45/19/74/1305451974.db2.gz MJVUOWGUNVENTM-VHJYZYJHSA-N 2 0 334.529 3.062 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cnc1F ZINC000892875288 1305589351 /nfs/dbraw/zinc/58/93/51/1305589351.db2.gz DMNQBSRTIKUMSV-UHFFFAOYSA-N 2 0 331.435 3.149 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786781033 1305627434 /nfs/dbraw/zinc/62/74/34/1305627434.db2.gz PVCODYMTNJEINW-DLBZAZTESA-N 2 0 346.519 3.377 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786912340 1305654937 /nfs/dbraw/zinc/65/49/37/1305654937.db2.gz RFRXYTVKGXLPID-DLBZAZTESA-N 2 0 344.503 3.131 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893018501 1305660272 /nfs/dbraw/zinc/66/02/72/1305660272.db2.gz INRVFMDHXQYAGZ-UHFFFAOYSA-N 3 0 341.499 3.343 20 0 EGADRP Oc1cc(Cl)cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000893301814 1305815095 /nfs/dbraw/zinc/81/50/95/1305815095.db2.gz DPFJEYKGSPVLAO-UHFFFAOYSA-N 2 0 331.847 3.447 20 0 EGADRP CC[C@H]1Oc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2NC1=O ZINC000893356150 1305847039 /nfs/dbraw/zinc/84/70/39/1305847039.db2.gz KAZKIXXWSZBTOH-ZEIKAYMKSA-N 2 0 343.471 3.072 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000788242353 1305903981 /nfs/dbraw/zinc/90/39/81/1305903981.db2.gz FEQOJZDZSMVJJR-DLBZAZTESA-N 2 0 339.524 3.288 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000788479632 1305952903 /nfs/dbraw/zinc/95/29/03/1305952903.db2.gz XVPZMZPWZVDVCD-DLBZAZTESA-N 2 0 343.298 3.225 20 0 EGADRP CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000788982423 1306057025 /nfs/dbraw/zinc/05/70/25/1306057025.db2.gz IAJNFVMHCUYGHQ-CVEARBPZSA-N 2 0 349.519 3.054 20 0 EGADRP CCc1ccc(-c2noc([C@H](C)[NH2+]CC3CC[NH+](C)CC3)n2)cc1 ZINC000893975576 1306157712 /nfs/dbraw/zinc/15/77/12/1306157712.db2.gz GKOSXZLNTGFGAX-AWEZNQCLSA-N 2 0 328.460 3.291 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C/C=C\c3cccc(F)c3)CC2)CC1 ZINC000894084555 1306208572 /nfs/dbraw/zinc/20/85/72/1306208572.db2.gz LOSBOBBHGIJSER-XQRVVYSFSA-N 2 0 345.506 3.329 20 0 EGADRP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000894806659 1309081189 /nfs/dbraw/zinc/08/11/89/1309081189.db2.gz IDJYEBXTRVJECU-UHFFFAOYSA-N 2 0 344.425 3.130 20 0 EGADRP O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC000793150571 1309304582 /nfs/dbraw/zinc/30/45/82/1309304582.db2.gz YHSRHXJDZLOFNI-SFHVURJKSA-N 2 0 349.434 3.403 20 0 EGADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000793569724 1309406785 /nfs/dbraw/zinc/40/67/85/1309406785.db2.gz PSMFLGHABKERQG-WMZOPIPTSA-N 2 0 332.488 3.064 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCN2CC=CCC2)ccc1OC ZINC000794835378 1309605307 /nfs/dbraw/zinc/60/53/07/1309605307.db2.gz PRWPWJBELMPBEV-SFHVURJKSA-N 2 0 345.531 3.450 20 0 EGADRP C[N@H+](CCC[NH2+]CC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000795888474 1309855163 /nfs/dbraw/zinc/85/51/63/1309855163.db2.gz CDGWEBNZMMSKQH-UHFFFAOYSA-N 2 0 332.488 3.031 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000798957078 1310462812 /nfs/dbraw/zinc/46/28/12/1310462812.db2.gz MBCKNJJTKKEZJC-UHFFFAOYSA-N 2 0 330.501 3.446 20 0 EGADRP CN(CCC[NH+]1CCCC1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000799175649 1310498935 /nfs/dbraw/zinc/49/89/35/1310498935.db2.gz JLAROGCVLMVDCP-UHFFFAOYSA-N 2 0 340.467 3.199 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000898324181 1310678355 /nfs/dbraw/zinc/67/83/55/1310678355.db2.gz DEPWQWLAQMBRAU-FQEVSTJZSA-N 2 0 325.456 3.263 20 0 EGADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000899204733 1310978555 /nfs/dbraw/zinc/97/85/55/1310978555.db2.gz FYMZHIWKHGRPLO-LJQANCHMSA-N 2 0 347.547 3.260 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023761459 1319905536 /nfs/dbraw/zinc/90/55/36/1319905536.db2.gz AHWOSDGCESYRHN-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000839183057 1320888716 /nfs/dbraw/zinc/88/87/16/1320888716.db2.gz SNGZBQJTTQXZBP-HNNXBMFYSA-N 2 0 332.517 3.438 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857262058 1328525564 /nfs/dbraw/zinc/52/55/64/1328525564.db2.gz AQPRYIYQANBGTL-PXNSSMCTSA-N 2 0 345.531 3.346 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC(CC)([NH+]2CCC2)CC1)c1ccccc1 ZINC000899561935 1317091015 /nfs/dbraw/zinc/09/10/15/1317091015.db2.gz LIZHLHKYMMHSRV-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP C[N@H+]1C[C@H]2CN(c3cc[nH+]c4cc(OC(F)(F)F)ccc43)C[C@H]2C1 ZINC000899877810 1317194025 /nfs/dbraw/zinc/19/40/25/1317194025.db2.gz WTXWVOSCMGLGTB-TXEJJXNPSA-N 2 0 337.345 3.131 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001019386285 1317209176 /nfs/dbraw/zinc/20/91/76/1317209176.db2.gz LKNJQKICJSSBDR-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001019465832 1317261777 /nfs/dbraw/zinc/26/17/77/1317261777.db2.gz KKEUWROLAODDOL-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019468230 1317263284 /nfs/dbraw/zinc/26/32/84/1317263284.db2.gz LSCKRUDBVYVXRG-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000957421966 1317347190 /nfs/dbraw/zinc/34/71/90/1317347190.db2.gz ABADWLGHYCQEKJ-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957545470 1317440936 /nfs/dbraw/zinc/44/09/36/1317440936.db2.gz OBIOQOVUKJLNSU-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957635721 1317509685 /nfs/dbraw/zinc/50/96/85/1317509685.db2.gz HWELCVLVQNGFAU-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957647772 1317520195 /nfs/dbraw/zinc/52/01/95/1317520195.db2.gz VPSFXOVEYHLPKW-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000902439980 1317578499 /nfs/dbraw/zinc/57/84/99/1317578499.db2.gz WBBKYKZXZWYELU-HUJKARHJSA-N 2 0 327.516 3.244 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1)C(C)C ZINC000957720541 1317588431 /nfs/dbraw/zinc/58/84/31/1317588431.db2.gz QRAKMVFQXKCWKC-LJQANCHMSA-N 2 0 337.552 3.218 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020207949 1317594601 /nfs/dbraw/zinc/59/46/01/1317594601.db2.gz UQOJAJZDGJKYLI-QAQDUYKDSA-N 2 0 349.544 3.240 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020214180 1317596409 /nfs/dbraw/zinc/59/64/09/1317596409.db2.gz LCUDCTCODMVOHK-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000957772881 1317636664 /nfs/dbraw/zinc/63/66/64/1317636664.db2.gz RKRUFGBQQOPBKE-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000903015549 1317640248 /nfs/dbraw/zinc/64/02/48/1317640248.db2.gz FZUQDTRAGGAXON-NVXWUHKLSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000903015553 1317641015 /nfs/dbraw/zinc/64/10/15/1317641015.db2.gz FZUQDTRAGGAXON-WBVHZDCISA-N 2 0 339.524 3.238 20 0 EGADRP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[NH+]2CCCC2)o1 ZINC000903086588 1317650773 /nfs/dbraw/zinc/65/07/73/1317650773.db2.gz PVQAODIEZZPMJG-ZNBHLAFESA-N 2 0 343.515 3.472 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903098294 1317651730 /nfs/dbraw/zinc/65/17/30/1317651730.db2.gz MSZUMMAHLLOKCS-ZJVRTDGDSA-N 2 0 344.499 3.255 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C2 ZINC000903118437 1317657148 /nfs/dbraw/zinc/65/71/48/1317657148.db2.gz OWELPJNXNCWRCH-LDFOPSEGSA-N 2 0 336.907 3.470 20 0 EGADRP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000903117900 1317657464 /nfs/dbraw/zinc/65/74/64/1317657464.db2.gz NLBAEXUCJXIYFL-SHQCPXRQSA-N 2 0 330.516 3.379 20 0 EGADRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(-c2ccccc2)n1 ZINC000903148205 1317662663 /nfs/dbraw/zinc/66/26/63/1317662663.db2.gz QVKAMSDVPBRVQQ-CTXDPNEZSA-N 2 0 336.483 3.335 20 0 EGADRP C[C@@H](O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccccc1 ZINC000903160409 1317664696 /nfs/dbraw/zinc/66/46/96/1317664696.db2.gz LRBPYIYCOIRPFM-FJXZYEQHSA-N 2 0 342.527 3.364 20 0 EGADRP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](O)c1ccccc1 ZINC000903159419 1317665227 /nfs/dbraw/zinc/66/52/27/1317665227.db2.gz OOPJDQQMDOXEAW-KEAPPQJHSA-N 2 0 328.500 3.492 20 0 EGADRP CCN(C(=O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000903194408 1317671401 /nfs/dbraw/zinc/67/14/01/1317671401.db2.gz CQETVCDBHNGBHE-UHFFFAOYSA-N 2 0 343.515 3.426 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2cc(N(C)C)cc[nH+]2)CC1 ZINC000903201221 1317673059 /nfs/dbraw/zinc/67/30/59/1317673059.db2.gz GJIRJHKTOZTLOZ-OXQOHEQNSA-N 2 0 330.520 3.280 20 0 EGADRP c1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C2CC2)nc1 ZINC000903201672 1317673452 /nfs/dbraw/zinc/67/34/52/1317673452.db2.gz ZJMWFFVUFTURGQ-OAQYLSRUSA-N 2 0 336.483 3.430 20 0 EGADRP CCc1csc([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903738175 1317728041 /nfs/dbraw/zinc/72/80/41/1317728041.db2.gz YWVIEJKALOBHBP-WBVHZDCISA-N 2 0 349.544 3.044 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000903739133 1317728066 /nfs/dbraw/zinc/72/80/66/1317728066.db2.gz CRJADZKHFJFRON-NRSPTQNISA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccccc1COC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903756794 1317730599 /nfs/dbraw/zinc/73/05/99/1317730599.db2.gz VWUFDVVKPOEZBF-QGZVFWFLSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCc2ccc(Cl)cc21 ZINC000903765404 1317730731 /nfs/dbraw/zinc/73/07/31/1317730731.db2.gz ZMOALBODKUVYBE-DKSSEZFCSA-N 2 0 334.891 3.070 20 0 EGADRP Fc1ccc(COC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903902572 1317745380 /nfs/dbraw/zinc/74/53/80/1317745380.db2.gz JVDWVAYAFFBIHH-JLYLLQBASA-N 2 0 332.463 3.337 20 0 EGADRP CC1CC[NH+]([C@H](CNC[C@H]([NH3+])CC(F)F)c2cccs2)CC1 ZINC000903923188 1317750689 /nfs/dbraw/zinc/75/06/89/1317750689.db2.gz NLYIXATZUJXBMZ-ZIAGYGMSSA-N 2 0 331.476 3.093 20 0 EGADRP Cc1cc(C[NH2+]CCC(C)(C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000903938798 1317752333 /nfs/dbraw/zinc/75/23/33/1317752333.db2.gz KSTUAKQPZDKOFH-UHFFFAOYSA-N 2 0 327.472 3.494 20 0 EGADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000903978217 1317760843 /nfs/dbraw/zinc/76/08/43/1317760843.db2.gz ALVUWXQHICFVGU-NXEZZACHSA-N 2 0 333.220 3.063 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CNCc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000858245217 1328721020 /nfs/dbraw/zinc/72/10/20/1328721020.db2.gz DKIRRIYVMFBGEI-KRWDZBQOSA-N 2 0 346.906 3.406 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)c1ccccc1Cl ZINC001020586725 1317792578 /nfs/dbraw/zinc/79/25/78/1317792578.db2.gz XFDWZCNGBFLXON-QKPAOTATSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406185 1317842902 /nfs/dbraw/zinc/84/29/02/1317842902.db2.gz TWAKUNQUZSVDHY-SFHVURJKSA-N 2 0 340.515 3.400 20 0 EGADRP c1ccc2c(c1)C=C(C[NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000904472631 1317851540 /nfs/dbraw/zinc/85/15/40/1317851540.db2.gz NJOBGGQNWQTFTF-DENIHFKCSA-N 2 0 348.446 3.308 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cnc1Cl ZINC000904476627 1317853140 /nfs/dbraw/zinc/85/31/40/1317853140.db2.gz VBPUJMLKRLBXRY-APWZRJJASA-N 2 0 343.858 3.389 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001020678987 1317856314 /nfs/dbraw/zinc/85/63/14/1317856314.db2.gz DSRYEZQGGYOQIV-BHIYHBOVSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)(C)[C@@H]([NH3+])Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904576839 1317865068 /nfs/dbraw/zinc/86/50/68/1317865068.db2.gz MWFUKXSHKINLRV-INIZCTEOSA-N 2 0 328.460 3.248 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904663841 1317878772 /nfs/dbraw/zinc/87/87/72/1317878772.db2.gz ATPMPIPPNFKAPK-CRAIPNDOSA-N 2 0 338.455 3.102 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc2ccccc2c1 ZINC000809738327 1317884227 /nfs/dbraw/zinc/88/42/27/1317884227.db2.gz URXZRWDDENCIAP-FQEVSTJZSA-N 2 0 340.515 3.083 20 0 EGADRP COCCOc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809738769 1317884328 /nfs/dbraw/zinc/88/43/28/1317884328.db2.gz IXINRPLYHBWVHH-UHFFFAOYSA-N 2 0 342.483 3.405 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)F ZINC000905044483 1317917328 /nfs/dbraw/zinc/91/73/28/1317917328.db2.gz COXLPYDXYXSTQN-KSSFIOAISA-N 2 0 326.431 3.167 20 0 EGADRP C[N@H+](Cc1cn(C[C@@H]2CC[NH+](Cc3ccccc3)C2)nn1)C(C)(C)C ZINC000905058040 1317917856 /nfs/dbraw/zinc/91/78/56/1317917856.db2.gz DMZOWVSOKGWWBY-GOSISDBHSA-N 2 0 341.503 3.031 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3)C2)CC1 ZINC001020865767 1317975873 /nfs/dbraw/zinc/97/58/73/1317975873.db2.gz OXJZDPGLYBWAKH-NSISKUIASA-N 2 0 343.515 3.105 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020927655 1318001068 /nfs/dbraw/zinc/00/10/68/1318001068.db2.gz NPAKPOFWZYTJPX-WTGUMLROSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907283758 1318207247 /nfs/dbraw/zinc/20/72/47/1318207247.db2.gz HVFWTLQITLEEKJ-DLBZAZTESA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001021434461 1318248517 /nfs/dbraw/zinc/24/85/17/1318248517.db2.gz GQWRUQHUHVTMPZ-RAFMOHDBSA-N 2 0 347.547 3.163 20 0 EGADRP OCc1cc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000858480671 1328774852 /nfs/dbraw/zinc/77/48/52/1328774852.db2.gz ZQVYTSPSAXXDIR-DZFGPLHGSA-N 2 0 337.467 3.287 20 0 EGADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813880236 1318650324 /nfs/dbraw/zinc/65/03/24/1318650324.db2.gz DHGGJKGUVXHFBN-DGDSNLKDSA-N 2 0 328.500 3.321 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911925684 1318778422 /nfs/dbraw/zinc/77/84/22/1318778422.db2.gz LAVTWMAGFSTJPL-UHFFFAOYSA-N 2 0 338.455 3.452 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1)[NH+](C)C ZINC000960692222 1318795968 /nfs/dbraw/zinc/79/59/68/1318795968.db2.gz XKDUEWRKROWFBM-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(C)ccc1C)[NH+](C)C ZINC000960709510 1318812448 /nfs/dbraw/zinc/81/24/48/1318812448.db2.gz LYQPVIBYRDPFED-VQTJNVASSA-N 2 0 345.531 3.066 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960713254 1318820030 /nfs/dbraw/zinc/82/00/30/1318820030.db2.gz UIQZJZSDUDHFKD-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000960740089 1318842515 /nfs/dbraw/zinc/84/25/15/1318842515.db2.gz RIVBRLXYVIVKHE-LJQANCHMSA-N 2 0 348.450 3.071 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000960755548 1318857879 /nfs/dbraw/zinc/85/78/79/1318857879.db2.gz XTGNXTCYLYWBHJ-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP OCc1cc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858549766 1328792840 /nfs/dbraw/zinc/79/28/40/1328792840.db2.gz ASQWYAQEQSLUGQ-SFHVURJKSA-N 2 0 325.456 3.288 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001022291358 1318880922 /nfs/dbraw/zinc/88/09/22/1318880922.db2.gz YFTGCPXSFSHQQU-NKGKWGDASA-N 2 0 349.906 3.122 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H](O)c2cccc(C)c2)CC1 ZINC000930146054 1328798472 /nfs/dbraw/zinc/79/84/72/1328798472.db2.gz PBKUUILOBMUTLF-OAQYLSRUSA-N 2 0 348.531 3.099 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001022601268 1319009492 /nfs/dbraw/zinc/00/94/92/1319009492.db2.gz IOCZUTUZHYNEDT-HHUCQEJWSA-N 2 0 343.515 3.023 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189310 1319303979 /nfs/dbraw/zinc/30/39/79/1319303979.db2.gz ZCEFJLPCGMVZTK-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Br)nc1 ZINC000817584930 1319406522 /nfs/dbraw/zinc/40/65/22/1319406522.db2.gz BCYCFGUYIHBMLO-LMWSTFAQSA-N 2 0 326.282 3.368 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC(=O)CC ZINC000817865681 1319449189 /nfs/dbraw/zinc/44/91/89/1319449189.db2.gz XEFGOVKGSVYMPV-INMHGKMJSA-N 2 0 348.487 3.206 20 0 EGADRP CCc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc(=O)oc2c1 ZINC000817880416 1319450695 /nfs/dbraw/zinc/45/06/95/1319450695.db2.gz SQTLEZBUWIZYBE-KEYYUXOJSA-N 2 0 328.456 3.161 20 0 EGADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817905458 1319457171 /nfs/dbraw/zinc/45/71/71/1319457171.db2.gz NMMDSQIMRLHBSJ-QBTDHISASA-N 2 0 330.447 3.186 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000817927860 1319463258 /nfs/dbraw/zinc/46/32/58/1319463258.db2.gz RKIROUOEGRSECS-RYGJVYDSSA-N 2 0 327.472 3.258 20 0 EGADRP CCC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@H](O)c1ccccc1 ZINC000817927107 1319463408 /nfs/dbraw/zinc/46/34/08/1319463408.db2.gz FYEROWWIZNGYIF-RYGJVYDSSA-N 2 0 327.472 3.402 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000817932808 1319464591 /nfs/dbraw/zinc/46/45/91/1319464591.db2.gz VQKXEKMYQLBZIO-ZMSDIMECSA-N 2 0 331.460 3.072 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817930376 1319464852 /nfs/dbraw/zinc/46/48/52/1319464852.db2.gz BWSADAPHTCVGLA-HZPDHXFCSA-N 2 0 326.440 3.259 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947687 1319473171 /nfs/dbraw/zinc/47/31/71/1319473171.db2.gz FROLRHBXDPTILS-CQSZACIVSA-N 2 0 341.455 3.006 20 0 EGADRP COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC ZINC000817949992 1319475280 /nfs/dbraw/zinc/47/52/80/1319475280.db2.gz VYWOCJCDNOFTMD-ZDUSSCGKSA-N 2 0 332.419 3.195 20 0 EGADRP CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817972114 1319481180 /nfs/dbraw/zinc/48/11/80/1319481180.db2.gz JWBWGZAJRXKLKP-SJORKVTESA-N 2 0 333.520 3.330 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023370679 1319481729 /nfs/dbraw/zinc/48/17/29/1319481729.db2.gz MUUBOQIWKHFORG-MOPGFXCFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000817980375 1319483712 /nfs/dbraw/zinc/48/37/12/1319483712.db2.gz AJLJMGFOBPRWSS-FCEWJHQRSA-N 3 0 333.520 3.315 20 0 EGADRP C/C(=C/C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000818013686 1319491572 /nfs/dbraw/zinc/49/15/72/1319491572.db2.gz FIGDPTYINWNQKV-VKAVYKQESA-N 2 0 343.515 3.089 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023402986 1319509261 /nfs/dbraw/zinc/50/92/61/1319509261.db2.gz XXTDEEGKUIZLSQ-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961375492 1319530843 /nfs/dbraw/zinc/53/08/43/1319530843.db2.gz VIPZOSHTODLLPQ-YZGWKJHDSA-N 2 0 349.563 3.077 20 0 EGADRP CCn1nc(C)c(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000818345801 1319533237 /nfs/dbraw/zinc/53/32/37/1319533237.db2.gz PAUIPDLVIZIRQC-UHFFFAOYSA-N 2 0 341.503 3.139 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379920 1319536688 /nfs/dbraw/zinc/53/66/88/1319536688.db2.gz XEFCZMCZKCEOGK-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023451784 1319555017 /nfs/dbraw/zinc/55/50/17/1319555017.db2.gz MGPWZZBXHGILPJ-QGZVFWFLSA-N 2 0 340.471 3.051 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCC[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001023450978 1319555125 /nfs/dbraw/zinc/55/51/25/1319555125.db2.gz BTAXSYXBNCRKHH-QGZVFWFLSA-N 2 0 342.487 3.131 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1c(F)cccc1F ZINC000818943733 1319582704 /nfs/dbraw/zinc/58/27/04/1319582704.db2.gz YZDWRGKYCARVIB-IBGZPJMESA-N 2 0 346.421 3.384 20 0 EGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000818943054 1319583443 /nfs/dbraw/zinc/58/34/43/1319583443.db2.gz OJOOMZKCKSAHHB-HXUWFJFHSA-N 2 0 346.421 3.384 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000818959886 1319590942 /nfs/dbraw/zinc/59/09/42/1319590942.db2.gz VITZEQSGBWTFRL-SFHVURJKSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000818967358 1319595639 /nfs/dbraw/zinc/59/56/39/1319595639.db2.gz UFDMMCNQYWSGFC-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000818970678 1319596751 /nfs/dbraw/zinc/59/67/51/1319596751.db2.gz XUADIMKTYOQNAN-GUYCJALGSA-N 2 0 328.859 3.224 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818985617 1319604997 /nfs/dbraw/zinc/60/49/97/1319604997.db2.gz UAHLUBHWPMEKMQ-PBHICJAKSA-N 2 0 344.421 3.449 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819134240 1319644794 /nfs/dbraw/zinc/64/47/94/1319644794.db2.gz ZROXVEOVKPCYGQ-BZUAXINKSA-N 2 0 330.394 3.201 20 0 EGADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(F)c(F)c1 ZINC000819142728 1319647599 /nfs/dbraw/zinc/64/75/99/1319647599.db2.gz QAILNJPUYBNUNR-RJYAGPCLSA-N 2 0 338.442 3.385 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819182906 1319660088 /nfs/dbraw/zinc/66/00/88/1319660088.db2.gz RWQVOYYREUGJKO-KSSFIOAISA-N 2 0 342.886 3.470 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552898 1319662677 /nfs/dbraw/zinc/66/26/77/1319662677.db2.gz QNASSHADSWKBKY-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962023718 1319802642 /nfs/dbraw/zinc/80/26/42/1319802642.db2.gz GLSMMLQLGXFADY-KVZIAJEVSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)CC1(C)C ZINC000821982207 1320045366 /nfs/dbraw/zinc/04/53/66/1320045366.db2.gz HVMJJRPCFPCUTL-MRXNPFEDSA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000823437636 1320179973 /nfs/dbraw/zinc/17/99/73/1320179973.db2.gz PBVKSJZHNOYMGP-QGZVFWFLSA-N 2 0 341.540 3.057 20 0 EGADRP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc2nc(C)nc(C)c12 ZINC000824987916 1320301629 /nfs/dbraw/zinc/30/16/29/1320301629.db2.gz DTXZUGGAGMHJPI-GOOCMWNKSA-N 2 0 330.501 3.331 20 0 EGADRP Cc1ccncc1CCC[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000827011693 1320420918 /nfs/dbraw/zinc/42/09/18/1320420918.db2.gz MADHEAKEQHIISZ-UHFFFAOYSA-N 2 0 338.499 3.219 20 0 EGADRP C[C@@]1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000827588475 1320460793 /nfs/dbraw/zinc/46/07/93/1320460793.db2.gz HRHGEWSUWORYNA-HNNXBMFYSA-N 2 0 335.319 3.005 20 0 EGADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cc[nH+]1 ZINC000838985130 1320846885 /nfs/dbraw/zinc/84/68/85/1320846885.db2.gz SYFXIUMKZWBIIN-BRWVUGGUSA-N 2 0 335.542 3.020 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000839466510 1320925234 /nfs/dbraw/zinc/92/52/34/1320925234.db2.gz YYQNYBZYJVWXNN-UHFFFAOYSA-N 2 0 330.472 3.011 20 0 EGADRP CC(=O)OC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000839526211 1320932576 /nfs/dbraw/zinc/93/25/76/1320932576.db2.gz BNFWSYJYIAFJFM-UHFFFAOYSA-N 2 0 330.472 3.200 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000841088924 1321216518 /nfs/dbraw/zinc/21/65/18/1321216518.db2.gz GCXWAXFEMNRQLJ-RBSFLKMASA-N 2 0 344.446 3.008 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000859212655 1328946849 /nfs/dbraw/zinc/94/68/49/1328946849.db2.gz MKNQVCHHKVQZHC-LJQANCHMSA-N 2 0 345.531 3.217 20 0 EGADRP CO[C@@H](Cc1ccccc1)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213326 1328947030 /nfs/dbraw/zinc/94/70/30/1328947030.db2.gz VMWAEONGCXRBHC-NRFANRHFSA-N 2 0 326.484 3.438 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000859212653 1328947411 /nfs/dbraw/zinc/94/74/11/1328947411.db2.gz MKNQVCHHKVQZHC-IBGZPJMESA-N 2 0 345.531 3.217 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474689 1321392875 /nfs/dbraw/zinc/39/28/75/1321392875.db2.gz WUDSIEGLSACBAB-LPHOPBHVSA-N 2 0 340.467 3.319 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843048599 1321461035 /nfs/dbraw/zinc/46/10/35/1321461035.db2.gz JQKFRGNQCUHSES-AWEZNQCLSA-N 2 0 346.906 3.452 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000843354079 1321504995 /nfs/dbraw/zinc/50/49/95/1321504995.db2.gz WAYVSXRJQSAOCN-FAEJEUNOSA-N 2 0 339.483 3.219 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000844202458 1321577861 /nfs/dbraw/zinc/57/78/61/1321577861.db2.gz GHVVYHIWZSOLEO-GOSISDBHSA-N 2 0 337.552 3.399 20 0 EGADRP COc1cccc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)oc21 ZINC000844909435 1321656788 /nfs/dbraw/zinc/65/67/88/1321656788.db2.gz BZAWMDUUNQOIOX-SUMDDJOVSA-N 2 0 344.455 3.302 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845943082 1321756376 /nfs/dbraw/zinc/75/63/76/1321756376.db2.gz ZFIPLWFHQKJSAI-MYBQVCMBSA-N 2 0 339.524 3.142 20 0 EGADRP COc1cc(F)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000845970325 1321760276 /nfs/dbraw/zinc/76/02/76/1321760276.db2.gz URQWZUJQADOSOU-UHFFFAOYSA-N 2 0 336.451 3.151 20 0 EGADRP C[N@H+](CCCCCC[NH3+])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000846218929 1321777775 /nfs/dbraw/zinc/77/77/75/1321777775.db2.gz ZICMOLNEBLIKHM-HZPDHXFCSA-N 2 0 331.287 3.402 20 0 EGADRP C[C@H]1CC[N@H+](CCOc2ccc(NCC3CC[NH+](C)CC3)cc2)C1 ZINC000846747737 1321804557 /nfs/dbraw/zinc/80/45/57/1321804557.db2.gz VDNWPWZMVUAWEX-KRWDZBQOSA-N 2 0 331.504 3.161 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC000848720639 1321999523 /nfs/dbraw/zinc/99/95/23/1321999523.db2.gz QFJBHIXXQSZWFC-WOJBJXKFSA-N 2 0 338.451 3.403 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000848894593 1322034485 /nfs/dbraw/zinc/03/44/85/1322034485.db2.gz NMGXZFRIKMISEA-MGSINWNPSA-N 2 0 348.487 3.314 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000848895952 1322036023 /nfs/dbraw/zinc/03/60/23/1322036023.db2.gz ZHCPNQMAZQLYJQ-ZNFPLGDCSA-N 2 0 334.460 3.068 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1Cl ZINC000849057856 1322061923 /nfs/dbraw/zinc/06/19/23/1322061923.db2.gz XKKPRWPPNUBEMR-AWEZNQCLSA-N 2 0 343.302 3.134 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000849060591 1322062992 /nfs/dbraw/zinc/06/29/92/1322062992.db2.gz FVEPQRLNXDNQDF-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP [NH2+]=C(NC[C@@H]1CC=CCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849068343 1322065035 /nfs/dbraw/zinc/06/50/35/1322065035.db2.gz YULIMMNTKWENCC-QGZVFWFLSA-N 2 0 326.488 3.121 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCCC1 ZINC000849071258 1322066328 /nfs/dbraw/zinc/06/63/28/1322066328.db2.gz ZSVCPWSAOQHRPQ-GOSISDBHSA-N 2 0 346.494 3.236 20 0 EGADRP [NH2+]=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000849089558 1322074332 /nfs/dbraw/zinc/07/43/32/1322074332.db2.gz HCWKLIFJJFZRDG-UHFFFAOYSA-N 2 0 344.503 3.062 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849107233 1322081407 /nfs/dbraw/zinc/08/14/07/1322081407.db2.gz CJFVPHFQLLQISG-LBPRGKRZSA-N 2 0 344.381 3.252 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000850399567 1322237571 /nfs/dbraw/zinc/23/75/71/1322237571.db2.gz MWYCPLHJEZRIMD-DVOMOZLQSA-N 2 0 329.271 3.243 20 0 EGADRP COC(=O)[C@@H](C)Oc1ccccc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000921493729 1322329666 /nfs/dbraw/zinc/32/96/66/1322329666.db2.gz VFQDISDLGHPSGT-CQSZACIVSA-N 2 0 348.487 3.026 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1Cl ZINC000922388456 1322516112 /nfs/dbraw/zinc/51/61/12/1322516112.db2.gz FEGFDILCMUAAGQ-MKXGPGLRSA-N 2 0 336.907 3.218 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1C ZINC000922389403 1322516610 /nfs/dbraw/zinc/51/66/10/1322516610.db2.gz UJFBMTUADARJMO-CGXNFDGLSA-N 2 0 330.516 3.181 20 0 EGADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923296005 1322728334 /nfs/dbraw/zinc/72/83/34/1322728334.db2.gz MSBNXZFNEQIAKN-IERDGZPVSA-N 2 0 339.483 3.118 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000923490786 1322760414 /nfs/dbraw/zinc/76/04/14/1322760414.db2.gz IWRKXVKNPZAOFK-SNVBAGLBSA-N 2 0 349.219 3.221 20 0 EGADRP Cc1cccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1C ZINC000923506519 1322765610 /nfs/dbraw/zinc/76/56/10/1322765610.db2.gz FVCKCLZSVHQJSR-SFHVURJKSA-N 2 0 343.515 3.344 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000923887163 1322836707 /nfs/dbraw/zinc/83/67/07/1322836707.db2.gz ZKRZKMZLNRMFAS-KRWDZBQOSA-N 2 0 344.459 3.222 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001023985487 1323064979 /nfs/dbraw/zinc/06/49/79/1323064979.db2.gz XALXEPATSOWFQC-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001023984582 1323065083 /nfs/dbraw/zinc/06/50/83/1323065083.db2.gz GHBHYVRCRSNYJY-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cnnn1-c1ccccc1 ZINC000924607416 1323073888 /nfs/dbraw/zinc/07/38/88/1323073888.db2.gz JPXCMYPMQJYZNW-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(-n2cnnc2)c1 ZINC000924610167 1323074499 /nfs/dbraw/zinc/07/44/99/1323074499.db2.gz YYTVXHAKHSXKIG-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001024017970 1323080789 /nfs/dbraw/zinc/08/07/89/1323080789.db2.gz ZHFLJMYZQBSDDZ-QZTJIDSGSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2ccccc2[nH]1 ZINC000924628896 1323083027 /nfs/dbraw/zinc/08/30/27/1323083027.db2.gz XOHMKKNIBZNCQQ-INIZCTEOSA-N 2 0 349.482 3.166 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1coc2ccccc21)N1CC[NH+](C)CC1 ZINC000924630269 1323084082 /nfs/dbraw/zinc/08/40/82/1323084082.db2.gz AGUBIXDPIWRCSL-APWZRJJASA-N 2 0 329.488 3.355 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000924684319 1323112478 /nfs/dbraw/zinc/11/24/78/1323112478.db2.gz DQUWGPUVHDKSRE-YZGWKJHDSA-N 2 0 332.536 3.376 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851933685 1323118209 /nfs/dbraw/zinc/11/82/09/1323118209.db2.gz TWFDVBLIQRPWMI-LMMKCTJWSA-N 2 0 346.515 3.274 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001024156924 1323179623 /nfs/dbraw/zinc/17/96/23/1323179623.db2.gz VGYURPBJGXKQDN-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]1[C@H](NC2CC[NH+](C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000924841810 1323184244 /nfs/dbraw/zinc/18/42/44/1323184244.db2.gz DWQKJCMQYVEYCR-LAUBAEHRSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924851100 1323186560 /nfs/dbraw/zinc/18/65/60/1323186560.db2.gz CEELSNXYILIYQP-OAHLLOKOSA-N 2 0 339.524 3.096 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000963158369 1323221018 /nfs/dbraw/zinc/22/10/18/1323221018.db2.gz XBKFHCUHAXBBCJ-SOAGJPPSSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ncccc1Cl ZINC000925023706 1323248341 /nfs/dbraw/zinc/24/83/41/1323248341.db2.gz PGLIVTRVLOYBQQ-WBVHZDCISA-N 2 0 339.911 3.403 20 0 EGADRP C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000925055300 1323259151 /nfs/dbraw/zinc/25/91/51/1323259151.db2.gz URSKCYQTEKIWBB-MRXNPFEDSA-N 2 0 331.504 3.047 20 0 EGADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853084700 1323276393 /nfs/dbraw/zinc/27/63/93/1323276393.db2.gz XBZAONQIXYTZCU-MRXNPFEDSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc(C[NH+](C)C)c1 ZINC000925091747 1323276650 /nfs/dbraw/zinc/27/66/50/1323276650.db2.gz CKQGVLQORDUKQS-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC(C)(C)CC1 ZINC001024366390 1323340508 /nfs/dbraw/zinc/34/05/08/1323340508.db2.gz RCRGZOICLODPQA-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024437664 1323398224 /nfs/dbraw/zinc/39/82/24/1323398224.db2.gz UWICMLCKCLKDLI-MSOLQXFVSA-N 2 0 349.544 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(CC)CC ZINC001024469716 1323424141 /nfs/dbraw/zinc/42/41/41/1323424141.db2.gz VZOPDYZDOMHSGD-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024514135 1323463687 /nfs/dbraw/zinc/46/36/87/1323463687.db2.gz VZDHYAXRVKKPQV-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001024529980 1323475325 /nfs/dbraw/zinc/47/53/25/1323475325.db2.gz BCIANQZWWFPKLX-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557105 1323497718 /nfs/dbraw/zinc/49/77/18/1323497718.db2.gz LTTBJZLHVOJLRG-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814897 1323718263 /nfs/dbraw/zinc/71/82/63/1323718263.db2.gz YACKTOZYDCTZOX-ZWKOTPCHSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814981 1323718302 /nfs/dbraw/zinc/71/83/02/1323718302.db2.gz ZFJALNSILRWSDH-HKUYNNGSSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024976590 1323810422 /nfs/dbraw/zinc/81/04/22/1323810422.db2.gz ANLZZBXTHOFMML-QGZVFWFLSA-N 2 0 349.544 3.194 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433964 1329116734 /nfs/dbraw/zinc/11/67/34/1329116734.db2.gz LEGJAVUSOXQEMF-ZYSHUDEJSA-N 2 0 337.467 3.050 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC001025086798 1323885408 /nfs/dbraw/zinc/88/54/08/1323885408.db2.gz FTLOILKYZWLQKY-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC001025105031 1323896986 /nfs/dbraw/zinc/89/69/86/1323896986.db2.gz MAKLLQNZJHJJSW-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001025137947 1323915968 /nfs/dbraw/zinc/91/59/68/1323915968.db2.gz BXPCGQBSAWMHFM-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025168586 1323937874 /nfs/dbraw/zinc/93/78/74/1323937874.db2.gz NPBXNYNROQZLQJ-HXUWFJFHSA-N 2 0 347.547 3.334 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239860 1324033296 /nfs/dbraw/zinc/03/32/96/1324033296.db2.gz JQEQHJBEIAXMEO-MOPGFXCFSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240862 1324034970 /nfs/dbraw/zinc/03/49/70/1324034970.db2.gz RRCMBFXJLZHWAT-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001025431946 1324268335 /nfs/dbraw/zinc/26/83/35/1324268335.db2.gz DYAPUTUEUKRFME-GDBMZVCRSA-N 2 0 349.544 3.050 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026591273 1324917993 /nfs/dbraw/zinc/91/79/93/1324917993.db2.gz YFBSPZJVTJNDCI-MHJFOBGBSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026610736 1324932471 /nfs/dbraw/zinc/93/24/71/1324932471.db2.gz UQLKSHBVKUJTSB-DAWZGUTISA-N 2 0 349.544 3.140 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1SC(F)(F)F ZINC000925117022 1325051599 /nfs/dbraw/zinc/05/15/99/1325051599.db2.gz NERHLEFUBOYBQP-GFCCVEGCSA-N 2 0 348.434 3.406 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026886791 1325063016 /nfs/dbraw/zinc/06/30/16/1325063016.db2.gz FOWVNKBYFSKEAK-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001026888463 1325064290 /nfs/dbraw/zinc/06/42/90/1325064290.db2.gz GJJVHLDVXCFNHV-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCS[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000925219976 1325084919 /nfs/dbraw/zinc/08/49/19/1325084919.db2.gz YFDWMQZNEGCQBE-VGUREELVSA-N 2 0 326.550 3.282 20 0 EGADRP CCON1CCC([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000925281816 1325113388 /nfs/dbraw/zinc/11/33/88/1325113388.db2.gz ZYIHHMIWHXTHHI-QZTJIDSGSA-N 2 0 345.531 3.149 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000925304081 1325118542 /nfs/dbraw/zinc/11/85/42/1325118542.db2.gz QTFPUXPNJJXVDA-UHFFFAOYSA-N 2 0 331.504 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345013 1325135274 /nfs/dbraw/zinc/13/52/74/1325135274.db2.gz CLSGESLVRMBAMN-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000925504334 1325182567 /nfs/dbraw/zinc/18/25/67/1325182567.db2.gz LTKTYZZDTHXSAQ-HXUWFJFHSA-N 2 0 345.531 3.091 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000925536727 1325197433 /nfs/dbraw/zinc/19/74/33/1325197433.db2.gz QSXFXQSEFKLPAI-OAQYLSRUSA-N 2 0 334.467 3.485 20 0 EGADRP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925550822 1325203557 /nfs/dbraw/zinc/20/35/57/1325203557.db2.gz CVENNYSMECGDCE-FHWLQOOXSA-N 2 0 343.515 3.032 20 0 EGADRP c1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc(N2CCCCC2)n1 ZINC000925562623 1325211198 /nfs/dbraw/zinc/21/11/98/1325211198.db2.gz INCNFLZQGTXFPB-PMACEKPBSA-N 2 0 342.531 3.330 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C12CCC2 ZINC000925568257 1325215029 /nfs/dbraw/zinc/21/50/29/1325215029.db2.gz NSZQUGLPORLONP-ROUUACIJSA-N 2 0 327.403 3.373 20 0 EGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925602566 1325228289 /nfs/dbraw/zinc/22/82/89/1325228289.db2.gz WHTYBQZWTPCVFD-YALWORMISA-N 2 0 332.513 3.009 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963420063 1325229035 /nfs/dbraw/zinc/22/90/35/1325229035.db2.gz GJFPNVNYVMRHLP-TVPLGVNVSA-N 2 0 335.536 3.161 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925625529 1325236182 /nfs/dbraw/zinc/23/61/82/1325236182.db2.gz IQAQHTJYNOZCSF-NXOAAHMSSA-N 2 0 337.870 3.084 20 0 EGADRP C[NH+](C)[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925642954 1325245034 /nfs/dbraw/zinc/24/50/34/1325245034.db2.gz UOBIKTBUOBUIDT-OAGGEKHMSA-N 2 0 341.421 3.168 20 0 EGADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1 ZINC000925673064 1325256790 /nfs/dbraw/zinc/25/67/90/1325256790.db2.gz LYMNQFKNDAJQRE-HKUYNNGSSA-N 2 0 327.447 3.474 20 0 EGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925673035 1325256800 /nfs/dbraw/zinc/25/68/00/1325256800.db2.gz LTOKCRZXQCJFDC-JENIJYKNSA-N 2 0 331.479 3.162 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000925827150 1325318867 /nfs/dbraw/zinc/31/88/67/1325318867.db2.gz MRPAWAULHKCWDX-QWHCGFSZSA-N 2 0 338.455 3.145 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)O1 ZINC000925833411 1325321165 /nfs/dbraw/zinc/32/11/65/1325321165.db2.gz ISSSWBFWIMXXJN-FPCVCCKLSA-N 2 0 334.426 3.244 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925846354 1325326515 /nfs/dbraw/zinc/32/65/15/1325326515.db2.gz LZRXYBRVOGTJDX-WOJBJXKFSA-N 2 0 344.547 3.081 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872496 1325337099 /nfs/dbraw/zinc/33/70/99/1325337099.db2.gz VDDIQJHUCBGJCS-LQWHRVPQSA-N 2 0 335.451 3.305 20 0 EGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926248383 1325490580 /nfs/dbraw/zinc/49/05/80/1325490580.db2.gz ANKHDBQLZROXKY-LAUBAEHRSA-N 2 0 326.484 3.311 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926279835 1325501724 /nfs/dbraw/zinc/50/17/24/1325501724.db2.gz UZPPTTQVICKTPX-LSDHHAIUSA-N 2 0 335.492 3.312 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC[NH+](C)CC1 ZINC000926449557 1325559768 /nfs/dbraw/zinc/55/97/68/1325559768.db2.gz VIAOZGKWBQOJPB-HNNXBMFYSA-N 2 0 336.545 3.392 20 0 EGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857090307 1325571994 /nfs/dbraw/zinc/57/19/94/1325571994.db2.gz PTYWMINMIAVGKJ-PMACEKPBSA-N 2 0 343.515 3.098 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027410506 1327635897 /nfs/dbraw/zinc/63/58/97/1327635897.db2.gz XWBQPACMUIADKP-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001027439099 1327679217 /nfs/dbraw/zinc/67/92/17/1327679217.db2.gz FZVMYFMXVHOAOA-ACBHZAAOSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442336 1327681382 /nfs/dbraw/zinc/68/13/82/1327681382.db2.gz DLXWBYOCUORZHL-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC001027445106 1327684499 /nfs/dbraw/zinc/68/44/99/1327684499.db2.gz ZWENOCQPXFEIQJ-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447935 1327690170 /nfs/dbraw/zinc/69/01/70/1327690170.db2.gz BUODASWRYXMFHI-ZWKOTPCHSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926889612 1327759160 /nfs/dbraw/zinc/75/91/60/1327759160.db2.gz MAAUDZIERNMUFA-FOIQADDNSA-N 2 0 330.447 3.446 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555400 1327862474 /nfs/dbraw/zinc/86/24/74/1327862474.db2.gz KWKHLVRLCQHBIK-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001027578048 1327912857 /nfs/dbraw/zinc/91/28/57/1327912857.db2.gz ARPXMPBVXXMSBF-UXHICEINSA-N 2 0 345.531 3.066 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)ccc2C)C1)[NH+](C)C ZINC001027578163 1327914620 /nfs/dbraw/zinc/91/46/20/1327914620.db2.gz FKGNJCIROCVDQH-PMACEKPBSA-N 2 0 345.531 3.066 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603063 1327957116 /nfs/dbraw/zinc/95/71/16/1327957116.db2.gz CTXAWRMDIZUHLC-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC3CC(C)C3)C2)CC1 ZINC001027636934 1328002925 /nfs/dbraw/zinc/00/29/25/1328002925.db2.gz KECYBEWPZZNLEP-QLOJAFMTSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680545 1328079523 /nfs/dbraw/zinc/07/95/23/1328079523.db2.gz HFZZULYSUZIEKY-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001027924045 1328402288 /nfs/dbraw/zinc/40/22/88/1328402288.db2.gz CILZUNADAHTQQK-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028046090 1328511070 /nfs/dbraw/zinc/51/10/70/1328511070.db2.gz YJRILRWOVTUZCI-MJGOQNOKSA-N 2 0 345.531 3.031 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2cccc([C@@H](O)C[NH2+]C)c2)cc1 ZINC000863692662 1329575381 /nfs/dbraw/zinc/57/53/81/1329575381.db2.gz YUKCIEVOJRUTIT-NRFANRHFSA-N 2 0 342.483 3.327 20 0 EGADRP COc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1C(C)(C)C ZINC000865492118 1329705016 /nfs/dbraw/zinc/70/50/16/1329705016.db2.gz NATLAIBQUGSKLR-UHFFFAOYSA-N 2 0 348.531 3.318 20 0 EGADRP C[NH+](C)CC1(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CCCC1 ZINC000865528567 1329709435 /nfs/dbraw/zinc/70/94/35/1329709435.db2.gz SEQFFIODWRYICS-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865576787 1329715612 /nfs/dbraw/zinc/71/56/12/1329715612.db2.gz CDSQPCQPMKYMKZ-CYBMUJFWSA-N 2 0 331.382 3.038 20 0 EGADRP Cc1ncc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000865717958 1329732179 /nfs/dbraw/zinc/73/21/79/1329732179.db2.gz PYWUOXMZLAOCMX-UHFFFAOYSA-N 2 0 326.488 3.120 20 0 EGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c[nH]ccc-2n1 ZINC000933814456 1329925457 /nfs/dbraw/zinc/92/54/57/1329925457.db2.gz MQNYRXRXVARVGC-KRWDZBQOSA-N 2 0 348.450 3.157 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000866666464 1330139583 /nfs/dbraw/zinc/13/95/83/1330139583.db2.gz SAOQIDUZQJJPEN-MOPGFXCFSA-N 2 0 329.488 3.176 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCC2CC[NH+](C(C)C)CC2)c1 ZINC000868167676 1330258074 /nfs/dbraw/zinc/25/80/74/1330258074.db2.gz PRKKTIUULSELBG-UHFFFAOYSA-N 2 0 332.492 3.038 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918159 1331254298 /nfs/dbraw/zinc/25/42/98/1331254298.db2.gz MKEMJDQZWVMREP-LJQANCHMSA-N 2 0 345.531 3.029 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942303030 1331897937 /nfs/dbraw/zinc/89/79/37/1331897937.db2.gz JYOKLIZEGVZFIK-BEFAXECRSA-N 2 0 342.487 3.211 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558655 1331974444 /nfs/dbraw/zinc/97/44/44/1331974444.db2.gz ZMKGPKUAOXVCNR-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[N@H+](CCC2=CCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598362 1331996236 /nfs/dbraw/zinc/99/62/36/1331996236.db2.gz WNGWAHVVSCLOMX-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCC)C[C@H]2CC1 ZINC000946856121 1332917254 /nfs/dbraw/zinc/91/72/54/1332917254.db2.gz BDSVWAGVTOALJY-HSALFYBXSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CCC3CC3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947471708 1333141624 /nfs/dbraw/zinc/14/16/24/1333141624.db2.gz DZFKQYBUQVPWKK-PBHICJAKSA-N 2 0 340.471 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947493394 1333146244 /nfs/dbraw/zinc/14/62/44/1333146244.db2.gz RRLXWGCAAOLEEP-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCC(C)(C)C ZINC000947505395 1333148919 /nfs/dbraw/zinc/14/89/19/1333148919.db2.gz ARMSLUIBOBOJKS-WBVHZDCISA-N 2 0 342.487 3.353 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948064291 1333360447 /nfs/dbraw/zinc/36/04/47/1333360447.db2.gz AKCANKFOHJXPLZ-IEBWSBKVSA-N 2 0 345.531 3.377 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948077006 1333367380 /nfs/dbraw/zinc/36/73/80/1333367380.db2.gz AHQLWQSOGBVDAH-HOTGVXAUSA-N 2 0 335.492 3.114 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(C)C)[C@@H](C)C2)o1 ZINC000948079510 1333368854 /nfs/dbraw/zinc/36/88/54/1333368854.db2.gz XARNJPJEBCZRSN-DLBZAZTESA-N 2 0 349.519 3.360 20 0 EGADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948245401 1333439389 /nfs/dbraw/zinc/43/93/89/1333439389.db2.gz QAWUHEVRSBKFLL-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC000948386117 1333504113 /nfs/dbraw/zinc/50/41/13/1333504113.db2.gz STYSNGMQOPDDMQ-NZSAHSFTSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948416670 1333516921 /nfs/dbraw/zinc/51/69/21/1333516921.db2.gz MALDUUGQYWSZKQ-MOPGFXCFSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473559 1333539484 /nfs/dbraw/zinc/53/94/84/1333539484.db2.gz HZWXJITWZRRNJQ-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674108 1333624031 /nfs/dbraw/zinc/62/40/31/1333624031.db2.gz PLKOQKMSMLNSGT-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC000948711380 1333642471 /nfs/dbraw/zinc/64/24/71/1333642471.db2.gz PACCPVOXRFPKGN-UXHICEINSA-N 2 0 349.563 3.388 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC000948767720 1333670151 /nfs/dbraw/zinc/67/01/51/1333670151.db2.gz ZXXPJVDTWPNOPK-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948775374 1333673611 /nfs/dbraw/zinc/67/36/11/1333673611.db2.gz HALVTHHEBGENES-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948776077 1333674903 /nfs/dbraw/zinc/67/49/03/1333674903.db2.gz YTRUPHFAEXCCHW-AZUAARDMSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC000948829474 1333700701 /nfs/dbraw/zinc/70/07/01/1333700701.db2.gz NOXZSOAQHXBEPN-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000951200646 1334204673 /nfs/dbraw/zinc/20/46/73/1334204673.db2.gz JHVZPSDWFMZBPA-HXUWFJFHSA-N 2 0 343.515 3.014 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396863 1335725544 /nfs/dbraw/zinc/72/55/44/1335725544.db2.gz IUBWRPWRAQGXSD-BEFAXECRSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968645370 1335995328 /nfs/dbraw/zinc/99/53/28/1335995328.db2.gz XOHCURYXBHWSOE-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968857149 1336070033 /nfs/dbraw/zinc/07/00/33/1336070033.db2.gz UQFXKXGTKKTFQE-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC=C(C)C)CC[N@@H+]1C ZINC000968866168 1336071887 /nfs/dbraw/zinc/07/18/87/1336071887.db2.gz CKHJHVQQBMEMEH-CEXWTWQISA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968882014 1336078042 /nfs/dbraw/zinc/07/80/42/1336078042.db2.gz DZHPHNACAHSDGE-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000968921922 1336089481 /nfs/dbraw/zinc/08/94/81/1336089481.db2.gz MYMKRELIYPXXRE-ZWKOTPCHSA-N 2 0 343.515 3.039 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC000968921756 1336090038 /nfs/dbraw/zinc/09/00/38/1336090038.db2.gz IJEPYLOPICLKAG-WMLDXEAASA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000969059868 1336133466 /nfs/dbraw/zinc/13/34/66/1336133466.db2.gz TWLHJBYDZQLCEI-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969156303 1336166172 /nfs/dbraw/zinc/16/61/72/1336166172.db2.gz PAQVLHBBLLZANW-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000970324971 1336294678 /nfs/dbraw/zinc/29/46/78/1336294678.db2.gz BCXWDUJNMCRJPA-UZLBHIALSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005490367 1336360668 /nfs/dbraw/zinc/36/06/68/1336360668.db2.gz AHDHBKGASSZEMD-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001006085908 1336450140 /nfs/dbraw/zinc/45/01/40/1336450140.db2.gz GVHIWYWVCNBFKM-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001006278487 1336480712 /nfs/dbraw/zinc/48/07/12/1336480712.db2.gz LLDWPFAYXAOVMB-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007457131 1336650170 /nfs/dbraw/zinc/65/01/70/1336650170.db2.gz IORXAIJZAWWIKQ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007457132 1336650276 /nfs/dbraw/zinc/65/02/76/1336650276.db2.gz IORXAIJZAWWIKQ-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007458165 1336651417 /nfs/dbraw/zinc/65/14/17/1336651417.db2.gz VLPXXXXTEAUBTB-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007501190 1336658366 /nfs/dbraw/zinc/65/83/66/1336658366.db2.gz WMECXOVLJRPEFX-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007618627 1336678635 /nfs/dbraw/zinc/67/86/35/1336678635.db2.gz KPQHKZWMIYVTBB-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007649683 1336684074 /nfs/dbraw/zinc/68/40/74/1336684074.db2.gz WTTHIKHRQRYKJK-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008042029 1336756673 /nfs/dbraw/zinc/75/66/73/1336756673.db2.gz ALCHNYOARRLULW-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008053097 1336759369 /nfs/dbraw/zinc/75/93/69/1336759369.db2.gz RFNWNJYNUFVFPG-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001008164965 1336782877 /nfs/dbraw/zinc/78/28/77/1336782877.db2.gz VGQACYSLIHCCKU-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC(CC)CC)C2)C1 ZINC001008276530 1336812272 /nfs/dbraw/zinc/81/22/72/1336812272.db2.gz MKOHZUZQYJJBAJ-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536964 1336877319 /nfs/dbraw/zinc/87/73/19/1336877319.db2.gz CCQJGDCDCLYMAP-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759514 1336921197 /nfs/dbraw/zinc/92/11/97/1336921197.db2.gz DEMBRCQYLUBHPJ-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001008769106 1336923479 /nfs/dbraw/zinc/92/34/79/1336923479.db2.gz OUJXRRBUFIDGPW-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](CCCc1ccc(Br)cc1)CC2 ZINC001207323351 1371361569 /nfs/dbraw/zinc/36/15/69/1371361569.db2.gz RSNGMXDNWQUJJG-UHFFFAOYSA-N 2 0 337.305 3.409 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014415566 1337771619 /nfs/dbraw/zinc/77/16/19/1337771619.db2.gz VMLOZZKVMFBHNC-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014635689 1337854267 /nfs/dbraw/zinc/85/42/67/1337854267.db2.gz XFBMFIFSFVZVTA-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001015596259 1338200227 /nfs/dbraw/zinc/20/02/27/1338200227.db2.gz AEFCILHQKURZIY-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001015597186 1338200886 /nfs/dbraw/zinc/20/08/86/1338200886.db2.gz NVMASJBCRMLTBA-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001015794858 1338314271 /nfs/dbraw/zinc/31/42/71/1338314271.db2.gz JOPXRDVHMSFOIG-WMZOPIPTSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016830763 1338740376 /nfs/dbraw/zinc/74/03/76/1338740376.db2.gz VIVZCCIMTZWRTM-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862281 1338751413 /nfs/dbraw/zinc/75/14/13/1338751413.db2.gz VIXZPRQGEVVCBH-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001017208438 1338954503 /nfs/dbraw/zinc/95/45/03/1338954503.db2.gz HHJUHRPGZQPWMR-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001017209582 1338955949 /nfs/dbraw/zinc/95/59/49/1338955949.db2.gz QRLCBBQHCOCWCI-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+](C)CC3CCC3)C2)CC1 ZINC001017243331 1338974290 /nfs/dbraw/zinc/97/42/90/1338974290.db2.gz ITGVVSFUMDPXFR-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001017246059 1338976770 /nfs/dbraw/zinc/97/67/70/1338976770.db2.gz LOQGOIRUJKPLCZ-WIYYLYMNSA-N 2 0 345.531 3.042 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+](C)C(C)C)C2)o1 ZINC001017264820 1338990471 /nfs/dbraw/zinc/99/04/71/1338990471.db2.gz SPGNGBQXYJPVFY-KRWDZBQOSA-N 2 0 349.519 3.314 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310060 1339571518 /nfs/dbraw/zinc/57/15/18/1339571518.db2.gz DUJCMRCAJXHKNR-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001028097807 1340424882 /nfs/dbraw/zinc/42/48/82/1340424882.db2.gz FURHDVJKXIPLIT-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001028552565 1340696881 /nfs/dbraw/zinc/69/68/81/1340696881.db2.gz QGPMILFAQKXLLP-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001028762279 1340797423 /nfs/dbraw/zinc/79/74/23/1340797423.db2.gz IRTLYCUAGSOYGD-SXLOBPIMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001029159542 1340945288 /nfs/dbraw/zinc/94/52/88/1340945288.db2.gz FNUNJQMCRYKZCF-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1)[NH+]1CCCC1 ZINC001029173608 1340948709 /nfs/dbraw/zinc/94/87/09/1340948709.db2.gz SMLMQXDCYKVFOA-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029330285 1340972940 /nfs/dbraw/zinc/97/29/40/1340972940.db2.gz KHVKGNOSSMBBPM-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029595255 1341018713 /nfs/dbraw/zinc/01/87/13/1341018713.db2.gz FDIVYYJOCOHQCW-TZRIAGMCSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029738758 1341059368 /nfs/dbraw/zinc/05/93/68/1341059368.db2.gz DCTPMXXEPVZCAX-UXHICEINSA-N 2 0 347.547 3.140 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029800789 1341077015 /nfs/dbraw/zinc/07/70/15/1341077015.db2.gz ZJNXNBXUDDOKBZ-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)CC1CCCCC1 ZINC001029861783 1341098873 /nfs/dbraw/zinc/09/88/73/1341098873.db2.gz RPYORVKYBZXRFQ-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001029887524 1341105420 /nfs/dbraw/zinc/10/54/20/1341105420.db2.gz MZZUCGOJPSMBLN-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029910688 1341113715 /nfs/dbraw/zinc/11/37/15/1341113715.db2.gz VWMBIGIXIXTBCQ-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001029944663 1341130369 /nfs/dbraw/zinc/13/03/69/1341130369.db2.gz PAGJJXKDXSTIOJ-XLIONFOSSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001029944662 1341130414 /nfs/dbraw/zinc/13/04/14/1341130414.db2.gz PAGJJXKDXSTIOJ-PXNSSMCTSA-N 2 0 343.515 3.012 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CC2)CC1 ZINC001030010234 1341156989 /nfs/dbraw/zinc/15/69/89/1341156989.db2.gz JMNKWQHLWKMATK-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001031801412 1341403833 /nfs/dbraw/zinc/40/38/33/1341403833.db2.gz FYFVTYYOEBYIIV-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001032128379 1341459941 /nfs/dbraw/zinc/45/99/41/1341459941.db2.gz BVZRCORUIWUDRU-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032433300 1341511099 /nfs/dbraw/zinc/51/10/99/1341511099.db2.gz NFYZVNUGCYDHJM-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCC1 ZINC001032445942 1341512888 /nfs/dbraw/zinc/51/28/88/1341512888.db2.gz RUWVRCPVUFULFL-UFYCRDLUSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001033098793 1341722100 /nfs/dbraw/zinc/72/21/00/1341722100.db2.gz KHDDNJFVATXCNX-HSALFYBXSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033125180 1341733067 /nfs/dbraw/zinc/73/30/67/1341733067.db2.gz AHDMHXOXAUKZKK-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033143539 1341738141 /nfs/dbraw/zinc/73/81/41/1341738141.db2.gz HMMOJCLSDQQFDK-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033144955 1341738859 /nfs/dbraw/zinc/73/88/59/1341738859.db2.gz CWLBYKFJHWQHEB-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033145833 1341738912 /nfs/dbraw/zinc/73/89/12/1341738912.db2.gz KRFOQXOMIVNUGL-MSOLQXFVSA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144678 1341738935 /nfs/dbraw/zinc/73/89/35/1341738935.db2.gz ACYLNSCIILJZMP-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033354084 1341793961 /nfs/dbraw/zinc/79/39/61/1341793961.db2.gz NCRDNYQWSROBCJ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033427027 1341822083 /nfs/dbraw/zinc/82/20/83/1341822083.db2.gz XDEVHNNUTVNXEW-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466920 1341837705 /nfs/dbraw/zinc/83/77/05/1341837705.db2.gz JBGZEJOJZWPQEV-PKOBYXMFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467723 1341837886 /nfs/dbraw/zinc/83/78/86/1341837886.db2.gz RBXJILBLWOOSIL-AZUAARDMSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001033552264 1341868006 /nfs/dbraw/zinc/86/80/06/1341868006.db2.gz UZSPAUFQKKOWNK-HXUWFJFHSA-N 2 0 347.547 3.140 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033826251 1342027470 /nfs/dbraw/zinc/02/74/70/1342027470.db2.gz NNEAMBDNROKMRT-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033832900 1342032711 /nfs/dbraw/zinc/03/27/11/1342032711.db2.gz BIZUMWCVRYYSKO-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033832932 1342033058 /nfs/dbraw/zinc/03/30/58/1342033058.db2.gz BYCWWTXLTUDZIF-YZGWKJHDSA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033833950 1342034240 /nfs/dbraw/zinc/03/42/40/1342034240.db2.gz BACWPYZLTPTQDK-CEXWTWQISA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001033988386 1342132828 /nfs/dbraw/zinc/13/28/28/1342132828.db2.gz DNVDIHGOKDIWLG-VQIMIIECSA-N 2 0 349.494 3.033 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001034037775 1342177415 /nfs/dbraw/zinc/17/74/15/1342177415.db2.gz FGWUGCAVOJHTQH-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001034210778 1342320311 /nfs/dbraw/zinc/32/03/11/1342320311.db2.gz JNVAQZLTPJYWQX-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034211770 1342321377 /nfs/dbraw/zinc/32/13/77/1342321377.db2.gz OFVIQVYAOLKMFW-GOSISDBHSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034239062 1342340260 /nfs/dbraw/zinc/34/02/60/1342340260.db2.gz HMRAVIIHVFWAGP-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034248563 1342346987 /nfs/dbraw/zinc/34/69/87/1342346987.db2.gz DLZQCVRBTLKBCU-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001034329982 1342404018 /nfs/dbraw/zinc/40/40/18/1342404018.db2.gz KFTSZSUVMHFMMW-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331631 1342406086 /nfs/dbraw/zinc/40/60/86/1342406086.db2.gz UORBRNVXMHVIMK-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001034363544 1342434352 /nfs/dbraw/zinc/43/43/52/1342434352.db2.gz ONYYJHPUEJOKEE-YSIASYRMSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034395710 1342463607 /nfs/dbraw/zinc/46/36/07/1342463607.db2.gz BWMHWGWNRFNMLJ-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034398125 1342464570 /nfs/dbraw/zinc/46/45/70/1342464570.db2.gz MHRLDBJLCCLXDW-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034491294 1342548127 /nfs/dbraw/zinc/54/81/27/1342548127.db2.gz RYKMPQXENURDNJ-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001034508025 1342566932 /nfs/dbraw/zinc/56/69/32/1342566932.db2.gz YUHGURLMLSASKS-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525201 1342582788 /nfs/dbraw/zinc/58/27/88/1342582788.db2.gz KCMWCWQQVZAUKO-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525202 1342582951 /nfs/dbraw/zinc/58/29/51/1342582951.db2.gz KCMWCWQQVZAUKO-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544965 1342605508 /nfs/dbraw/zinc/60/55/08/1342605508.db2.gz WROOLLIROGDNRI-MSOLQXFVSA-N 2 0 349.494 3.081 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001034670521 1342680868 /nfs/dbraw/zinc/68/08/68/1342680868.db2.gz XSMRHTMITGDPLS-WGSAOQKQSA-N 2 0 347.547 3.070 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034672623 1342683816 /nfs/dbraw/zinc/68/38/16/1342683816.db2.gz PRLGVTGJJPBOCQ-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001034775482 1342753529 /nfs/dbraw/zinc/75/35/29/1342753529.db2.gz ASDJVFNERKTPHO-HNJRGHQBSA-N 2 0 343.515 3.106 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)c1 ZINC001034800069 1342765623 /nfs/dbraw/zinc/76/56/23/1342765623.db2.gz XNJCMPCEOOBBNC-MXVIHJGJSA-N 2 0 343.515 3.179 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034962465 1342855076 /nfs/dbraw/zinc/85/50/76/1342855076.db2.gz RRAIJWQEMDMOQG-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001078811939 1357093757 /nfs/dbraw/zinc/09/37/57/1357093757.db2.gz BKFQWXMJDLQNGE-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001035022388 1342881733 /nfs/dbraw/zinc/88/17/33/1342881733.db2.gz CHCGRXBNKJBJCD-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035194026 1343008015 /nfs/dbraw/zinc/00/80/15/1343008015.db2.gz STKZKIANKGGYHX-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC[N@H+](CC3=CCCCC3)C2)CC1)[NH+](C)C ZINC001035197703 1343010270 /nfs/dbraw/zinc/01/02/70/1343010270.db2.gz RWWFRIFFLMPUFP-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741372 1343163022 /nfs/dbraw/zinc/16/30/22/1343163022.db2.gz MEKKZKIXTIJBIP-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036137864 1343322910 /nfs/dbraw/zinc/32/29/10/1343322910.db2.gz PWZZQKIVUXYSMN-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001036438522 1343487744 /nfs/dbraw/zinc/48/77/44/1343487744.db2.gz HUFZXTJZLKEQLW-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001036450562 1343494584 /nfs/dbraw/zinc/49/45/84/1343494584.db2.gz NVIUNIMNFKCXIE-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CC3CCC3)C2)CC1 ZINC001036453073 1343495828 /nfs/dbraw/zinc/49/58/28/1343495828.db2.gz CNDZZDXWZWESSN-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CC3CCC3)C2)CC1 ZINC001036453071 1343495937 /nfs/dbraw/zinc/49/59/37/1343495937.db2.gz CNDZZDXWZWESSN-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001036477167 1343506468 /nfs/dbraw/zinc/50/64/68/1343506468.db2.gz XVDLMQZMFXOEHA-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820386 1343758540 /nfs/dbraw/zinc/75/85/40/1343758540.db2.gz IBWCGKWIZDSGNC-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036903242 1343850045 /nfs/dbraw/zinc/85/00/45/1343850045.db2.gz XNEZBJZTYHVGPF-UYAOXDASSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904505 1343852003 /nfs/dbraw/zinc/85/20/03/1343852003.db2.gz SQZNGLFGGSFDAD-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001037038237 1343941790 /nfs/dbraw/zinc/94/17/90/1343941790.db2.gz JXFKPNVAXXPTCE-QUCCMNQESA-N 2 0 348.450 3.023 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCC2)cc1 ZINC001037091603 1343973951 /nfs/dbraw/zinc/97/39/51/1343973951.db2.gz HDQBPBKWIHAUFZ-UXHICEINSA-N 2 0 343.515 3.036 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001037238008 1344061200 /nfs/dbraw/zinc/06/12/00/1344061200.db2.gz XFHLUFFKELSCCQ-VQTJNVASSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001037847409 1344135232 /nfs/dbraw/zinc/13/52/32/1344135232.db2.gz FCBPHUBUTGGMAV-DOTOQJQBSA-N 2 0 349.544 3.050 20 0 EGADRP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037855666 1344141477 /nfs/dbraw/zinc/14/14/77/1344141477.db2.gz WPXVNGORIMAOKG-OALUTQOASA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1[NH2+]C(C)C ZINC001037871553 1344153247 /nfs/dbraw/zinc/15/32/47/1344153247.db2.gz CLNFVSLJKYTGPV-SJLPKXTDSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037907927 1344171039 /nfs/dbraw/zinc/17/10/39/1344171039.db2.gz XEZLWOWZPKQVLX-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248785 1344344391 /nfs/dbraw/zinc/34/43/91/1344344391.db2.gz PQCWNGRQGMMIAM-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CC1=CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038354558 1344395321 /nfs/dbraw/zinc/39/53/21/1344395321.db2.gz UMLWEMCICTUOSQ-UXHICEINSA-N 2 0 345.531 3.084 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038908415 1344646570 /nfs/dbraw/zinc/64/65/70/1344646570.db2.gz JYJQMKMQVKZXIL-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCC2)c1 ZINC001039040523 1344728133 /nfs/dbraw/zinc/72/81/33/1344728133.db2.gz RNHHGNHDRZLCBV-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001039051420 1344735957 /nfs/dbraw/zinc/73/59/57/1344735957.db2.gz VSSNAEGAQLCRQU-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039150595 1344834521 /nfs/dbraw/zinc/83/45/21/1344834521.db2.gz ACHGWSIXFIPLNS-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179861 1344875920 /nfs/dbraw/zinc/87/59/20/1344875920.db2.gz HQTWQQMXVPDOPZ-UXHICEINSA-N 2 0 349.563 3.099 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039226308 1344944872 /nfs/dbraw/zinc/94/48/72/1344944872.db2.gz WEDBGZFEMFPTPO-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039227350 1344945885 /nfs/dbraw/zinc/94/58/85/1344945885.db2.gz CNDKOZKHKAFRLS-LPHOPBHVSA-N 2 0 340.471 3.059 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039282991 1344995850 /nfs/dbraw/zinc/99/58/50/1344995850.db2.gz YMPUNQBDXYTACB-XVLXNVKGSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039301879 1345004262 /nfs/dbraw/zinc/00/42/62/1345004262.db2.gz QHMCPEACNLQBFS-UMQXSMKFSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375728 1345033553 /nfs/dbraw/zinc/03/35/53/1345033553.db2.gz UVYSZOPBHSPGLL-QRVBRYPASA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474377 1345089058 /nfs/dbraw/zinc/08/90/58/1345089058.db2.gz FFLNUGYXGVPQSJ-AABGKKOBSA-N 2 0 347.547 3.138 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001039528576 1345131016 /nfs/dbraw/zinc/13/10/16/1345131016.db2.gz PJWLJGCHLXFUKN-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001039685425 1345158666 /nfs/dbraw/zinc/15/86/66/1345158666.db2.gz MSUYMESFSHETCD-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211262 1345377421 /nfs/dbraw/zinc/37/74/21/1345377421.db2.gz ZCCBZOMQBUXLBP-OAQYLSRUSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040240793 1345390924 /nfs/dbraw/zinc/39/09/24/1345390924.db2.gz JNKSMLWPHDJDIS-FPOVZHCZSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875052 1345591998 /nfs/dbraw/zinc/59/19/98/1345591998.db2.gz QHQIUVLIAYYLBT-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC)CC2 ZINC001040912096 1345598806 /nfs/dbraw/zinc/59/88/06/1345598806.db2.gz KLULWPZMIIJTOH-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846176 1345872114 /nfs/dbraw/zinc/87/21/14/1345872114.db2.gz YTSACMXPOCALNH-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041851083 1345872854 /nfs/dbraw/zinc/87/28/54/1345872854.db2.gz ANAURRNQPXDPFY-HXUWFJFHSA-N 2 0 347.503 3.069 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268257 1346013109 /nfs/dbraw/zinc/01/31/09/1346013109.db2.gz BMEBVPGWQUIADO-ICSRJNTNSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268258 1346013149 /nfs/dbraw/zinc/01/31/49/1346013149.db2.gz BMEBVPGWQUIADO-QUCCMNQESA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365320 1346057998 /nfs/dbraw/zinc/05/79/98/1346057998.db2.gz MZLSQJYTMRSJSP-UYAOXDASSA-N 2 0 343.515 3.085 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042373939 1346062669 /nfs/dbraw/zinc/06/26/69/1346062669.db2.gz FKWGRLDYYCDTTJ-FUHWJXTLSA-N 2 0 347.503 3.068 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001042724408 1346110467 /nfs/dbraw/zinc/11/04/67/1346110467.db2.gz YGXQWLPOFBZNFM-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001044659642 1346395666 /nfs/dbraw/zinc/39/56/66/1346395666.db2.gz PWYRPFXDXLKCEP-VQIMIIECSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857660 1346447019 /nfs/dbraw/zinc/44/70/19/1346447019.db2.gz MJLUTXIKTZCPLQ-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC3CC3)C[C@@H]2C)o1 ZINC001044876582 1346452747 /nfs/dbraw/zinc/45/27/47/1346452747.db2.gz GJZFHHNIBGYROX-RDJZCZTQSA-N 2 0 347.503 3.114 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045066854 1346489175 /nfs/dbraw/zinc/48/91/75/1346489175.db2.gz FSZSHJGKOLGTOV-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045068768 1346489448 /nfs/dbraw/zinc/48/94/48/1346489448.db2.gz QBLAWKOHJCTMCZ-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045322391 1346559859 /nfs/dbraw/zinc/55/98/59/1346559859.db2.gz PHWLAXFVHKHMCY-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045322573 1346559998 /nfs/dbraw/zinc/55/99/98/1346559998.db2.gz QHSHNLOYUBTHGM-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045437837 1346593489 /nfs/dbraw/zinc/59/34/89/1346593489.db2.gz GFJJIBVYUIEMAV-GOSISDBHSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001045444871 1346595606 /nfs/dbraw/zinc/59/56/06/1346595606.db2.gz ZUVDXHVPWDXBMC-ZWKOTPCHSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045585505 1346637622 /nfs/dbraw/zinc/63/76/22/1346637622.db2.gz RYPLQAUMRLZXMY-MSOLQXFVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](F)CC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045646346 1346657774 /nfs/dbraw/zinc/65/77/74/1346657774.db2.gz GWTVZQMZUKJRGB-MRXNPFEDSA-N 2 0 349.494 3.081 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001045732345 1346681883 /nfs/dbraw/zinc/68/18/83/1346681883.db2.gz SFYFACYZPVKEIJ-HSALFYBXSA-N 2 0 345.531 3.036 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921180 1346758848 /nfs/dbraw/zinc/75/88/48/1346758848.db2.gz HDUGPRZMTJRUDE-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001045947302 1346782435 /nfs/dbraw/zinc/78/24/35/1346782435.db2.gz LJPRXUNXHVJHPP-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950775 1346785175 /nfs/dbraw/zinc/78/51/75/1346785175.db2.gz LFODVCBWQSFLAS-FQEVSTJZSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045964992 1346800335 /nfs/dbraw/zinc/80/03/35/1346800335.db2.gz BBJFHDQRSACAPG-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045967538 1346801780 /nfs/dbraw/zinc/80/17/80/1346801780.db2.gz WYODUXZBQGENDS-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046375705 1346954284 /nfs/dbraw/zinc/95/42/84/1346954284.db2.gz OTXIJLFWOZLZAU-TZIWHRDSSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001046487108 1346991880 /nfs/dbraw/zinc/99/18/80/1346991880.db2.gz OKEAVWOYHGKUHA-NRFANRHFSA-N 2 0 348.450 3.037 20 0 EGADRP C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+](CC2=CCCCC2)C1 ZINC001046486143 1346992174 /nfs/dbraw/zinc/99/21/74/1346992174.db2.gz HNRMVSPBUBSUPH-HXUWFJFHSA-N 2 0 338.455 3.029 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048257897 1347504420 /nfs/dbraw/zinc/50/44/20/1347504420.db2.gz ZNXANIVVDYXIBT-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048294285 1347511219 /nfs/dbraw/zinc/51/12/19/1347511219.db2.gz DVCONGBPDJUCJC-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCCC1 ZINC001049369411 1347808433 /nfs/dbraw/zinc/80/84/33/1347808433.db2.gz OCYSXRCKQLUDTQ-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1)C1CCC1 ZINC001049522036 1347890285 /nfs/dbraw/zinc/89/02/85/1347890285.db2.gz NZQVGUNHAZFFKA-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CC1 ZINC001049526173 1347892132 /nfs/dbraw/zinc/89/21/32/1347892132.db2.gz UAPATHNOBHXKJN-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049723822 1347990447 /nfs/dbraw/zinc/99/04/47/1347990447.db2.gz OZIWKRYADJVBHC-YZGWKJHDSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764650 1348008973 /nfs/dbraw/zinc/00/89/73/1348008973.db2.gz DVMPEZHVMBOZSD-GUDVDZBRSA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768393 1348011179 /nfs/dbraw/zinc/01/11/79/1348011179.db2.gz WCRSKUATQBTIRQ-OTWHNJEPSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768088 1348011227 /nfs/dbraw/zinc/01/12/27/1348011227.db2.gz SKUKAKGKAHRMOY-VAMGGRTRSA-N 2 0 347.547 3.281 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC(C)(C)C)CC1 ZINC001049767752 1348011352 /nfs/dbraw/zinc/01/13/52/1348011352.db2.gz QYJDJCMKTRAHAK-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC(C)(C)C)CC1 ZINC001049767749 1348011374 /nfs/dbraw/zinc/01/13/74/1348011374.db2.gz QYJDJCMKTRAHAK-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001049896275 1348098595 /nfs/dbraw/zinc/09/85/95/1348098595.db2.gz MLALKHCMKSICLK-VQTJNVASSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138669 1348194320 /nfs/dbraw/zinc/19/43/20/1348194320.db2.gz POVXCKCEGRJWNH-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001050261621 1348221589 /nfs/dbraw/zinc/22/15/89/1348221589.db2.gz HQUWRFQBCQUPFW-APWZRJJASA-N 2 0 331.504 3.235 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001050329946 1348229009 /nfs/dbraw/zinc/22/90/09/1348229009.db2.gz VMXYBNOFZKBENW-VBSBHUPXSA-N 2 0 347.547 3.092 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001050764317 1348351617 /nfs/dbraw/zinc/35/16/17/1348351617.db2.gz BJXMZHWRSSUFRC-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001051342183 1348438079 /nfs/dbraw/zinc/43/80/79/1348438079.db2.gz UNSORJKPSMGSDP-DFQSSKMNSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052377139 1348535017 /nfs/dbraw/zinc/53/50/17/1348535017.db2.gz NPALFUUUZMXQDP-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052378222 1348535571 /nfs/dbraw/zinc/53/55/71/1348535571.db2.gz UPMOZKYRIQEMTN-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cs1 ZINC001052498958 1348559807 /nfs/dbraw/zinc/55/98/07/1348559807.db2.gz LOTPIUGWUTWTQQ-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052499291 1348560427 /nfs/dbraw/zinc/56/04/27/1348560427.db2.gz SLCXZFDMEGDSOW-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052506841 1348561761 /nfs/dbraw/zinc/56/17/61/1348561761.db2.gz MRUHDZJURKZZSA-RDJZCZTQSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589152 1348587835 /nfs/dbraw/zinc/58/78/35/1348587835.db2.gz CZDVUXDKPANSJN-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001052621138 1348598738 /nfs/dbraw/zinc/59/87/38/1348598738.db2.gz XNLYUALJDXUIQJ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652184 1348614208 /nfs/dbraw/zinc/61/42/08/1348614208.db2.gz UTKIYQQJAVVJKJ-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052868793 1348709971 /nfs/dbraw/zinc/70/99/71/1348709971.db2.gz YEWRBMGHVZYUTC-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953656 1348768517 /nfs/dbraw/zinc/76/85/17/1348768517.db2.gz FDHQZNQKYCLBBY-APWZRJJASA-N 2 0 349.494 3.081 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(C)C)CC2)o1 ZINC001052967360 1348778605 /nfs/dbraw/zinc/77/86/05/1348778605.db2.gz GKMZGQILKLOQGZ-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029901 1348829327 /nfs/dbraw/zinc/82/93/27/1348829327.db2.gz XZXRLQHWGRHHRU-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087201 1348910555 /nfs/dbraw/zinc/91/05/55/1348910555.db2.gz IWIDLJOBNUAALO-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159944 1349161798 /nfs/dbraw/zinc/16/17/98/1349161798.db2.gz QNEFQDGOGBHPJO-HXUWFJFHSA-N 2 0 340.471 3.063 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001054198890 1349200292 /nfs/dbraw/zinc/20/02/92/1349200292.db2.gz IVYVJWATMPWCKC-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245350 1349239149 /nfs/dbraw/zinc/23/91/49/1349239149.db2.gz SFDLFLZCKAXSGU-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285313 1349286915 /nfs/dbraw/zinc/28/69/15/1349286915.db2.gz CQNYWBVFZXWKMN-WOJBJXKFSA-N 2 0 341.499 3.044 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001054297527 1349301860 /nfs/dbraw/zinc/30/18/60/1349301860.db2.gz CMJFDAGLWVYFEC-AABGKKOBSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001080021930 1357460538 /nfs/dbraw/zinc/46/05/38/1357460538.db2.gz YTIYIEDXJLHJCG-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183040376 1387255341 /nfs/dbraw/zinc/25/53/41/1387255341.db2.gz RBGHHLKKHLMDKW-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2C)C1 ZINC001080311178 1357568837 /nfs/dbraw/zinc/56/88/37/1357568837.db2.gz UJOCQYUXBWEROM-YZGWKJHDSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559110 1357678340 /nfs/dbraw/zinc/67/83/40/1357678340.db2.gz VRIOOJUHUWYHFY-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667590 1357719379 /nfs/dbraw/zinc/71/93/79/1357719379.db2.gz LOVCIVKVJOQXQR-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001071627987 1354811804 /nfs/dbraw/zinc/81/18/04/1354811804.db2.gz MTDGQTLAEBOFIT-DOTOQJQBSA-N 2 0 342.487 3.272 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1CCCCC1 ZINC001071645603 1354823663 /nfs/dbraw/zinc/82/36/63/1354823663.db2.gz LDGGJWAJUNZCPP-HKUYNNGSSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCC(C)(C)C ZINC001071646160 1354823770 /nfs/dbraw/zinc/82/37/70/1354823770.db2.gz SNLDPTRBDFBCED-IAGOWNOFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001071735042 1354887177 /nfs/dbraw/zinc/88/71/77/1354887177.db2.gz FGBXTMWFFCRIDQ-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071827842 1354964939 /nfs/dbraw/zinc/96/49/39/1354964939.db2.gz FCUNEJCSMRAGBD-YLJYHZDGSA-N 2 0 345.531 3.029 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071829005 1354965681 /nfs/dbraw/zinc/96/56/81/1354965681.db2.gz YNAABDVKWLQEMI-XLIONFOSSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCC(C)(C)C ZINC001071870758 1354996179 /nfs/dbraw/zinc/99/61/79/1354996179.db2.gz DLWKAPNOKORJMF-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895973 1355011973 /nfs/dbraw/zinc/01/19/73/1355011973.db2.gz CRVUZEARPDSFCR-YLJYHZDGSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071897848 1355012860 /nfs/dbraw/zinc/01/28/60/1355012860.db2.gz QDQYRDOYQBNIKE-PXNSSMCTSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001072081020 1355118392 /nfs/dbraw/zinc/11/83/92/1355118392.db2.gz FQWPZLNPHFQTEM-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)C)C2 ZINC001073116593 1355605164 /nfs/dbraw/zinc/60/51/64/1355605164.db2.gz VQVVEBWSKKZFTA-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001183200985 1387277334 /nfs/dbraw/zinc/27/73/34/1387277334.db2.gz URSYDPNFSDWOIN-UYAOXDASSA-N 2 0 339.568 3.373 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460667 1355794628 /nfs/dbraw/zinc/79/46/28/1355794628.db2.gz GXZAXPYCUNVIOJ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001073970452 1356003530 /nfs/dbraw/zinc/00/35/30/1356003530.db2.gz OZFBYNCXSBCFNQ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001074035311 1356046930 /nfs/dbraw/zinc/04/69/30/1356046930.db2.gz OHFNWRKOFCDLBJ-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001074055832 1356058426 /nfs/dbraw/zinc/05/84/26/1356058426.db2.gz MHJGIPLRVSCDCQ-KPZODNFCSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001074826025 1356256712 /nfs/dbraw/zinc/25/67/12/1356256712.db2.gz SWQWDQRPLMOFON-UHOSZYNNSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001075460625 1356394156 /nfs/dbraw/zinc/39/41/56/1356394156.db2.gz YGWSBUXIWRBSEV-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256130 1387286624 /nfs/dbraw/zinc/28/66/24/1387286624.db2.gz SSACRZWNZYZSPG-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082559074 1358057092 /nfs/dbraw/zinc/05/70/92/1358057092.db2.gz RNUDRXYMHBUUBT-NZSAHSFTSA-N 2 0 349.563 3.122 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)c1ccccc1 ZINC001082557628 1358057192 /nfs/dbraw/zinc/05/71/92/1358057192.db2.gz UITKJMQOMMYVKL-BHIYHBOVSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082570804 1358057402 /nfs/dbraw/zinc/05/74/02/1358057402.db2.gz ZKIPIHGSAKCDCS-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082943512 1358107094 /nfs/dbraw/zinc/10/70/94/1358107094.db2.gz MGVVCNMXNYJRNT-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469655 1358220933 /nfs/dbraw/zinc/22/09/33/1358220933.db2.gz GQBKZGWGGXCWQR-YQVWRLOYSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)CC[NH3+] ZINC001183575950 1387320503 /nfs/dbraw/zinc/32/05/03/1387320503.db2.gz SPLLZIFRBYSCCK-PKOBYXMFSA-N 2 0 345.531 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944813 1358353244 /nfs/dbraw/zinc/35/32/44/1358353244.db2.gz OLUFQQMGXMNFKL-WCIQWLHISA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958442 1358354624 /nfs/dbraw/zinc/35/46/24/1358354624.db2.gz ZMARXLZSSJHDMG-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001085152529 1358413962 /nfs/dbraw/zinc/41/39/62/1358413962.db2.gz HXXKYAARTQRQGS-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085152326 1358414065 /nfs/dbraw/zinc/41/40/65/1358414065.db2.gz ALIXJUUKXDLUER-QRVBRYPASA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085197021 1358431337 /nfs/dbraw/zinc/43/13/37/1358431337.db2.gz ZJNBXLXWJHCOPY-QRVBRYPASA-N 2 0 335.536 3.066 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199361 1358432134 /nfs/dbraw/zinc/43/21/34/1358432134.db2.gz IFDVUPLKDYLHRF-DFQSSKMNSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CC2)ccc2c[nH+]cn21 ZINC001085253051 1358445340 /nfs/dbraw/zinc/44/53/40/1358445340.db2.gz UKMYUCNKGLPYBE-RTBURBONSA-N 2 0 340.471 3.073 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)cs1 ZINC001085332008 1358470404 /nfs/dbraw/zinc/47/04/04/1358470404.db2.gz HUCUGQYEDKUAMB-BMGDILEWSA-N 2 0 349.544 3.058 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)c1 ZINC001085421441 1358495506 /nfs/dbraw/zinc/49/55/06/1358495506.db2.gz DYKVZAABOSAQJM-DFQSSKMNSA-N 2 0 343.515 3.169 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001085421501 1358495569 /nfs/dbraw/zinc/49/55/69/1358495569.db2.gz HNKRXUUTLVFABB-VAMGGRTRSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597647 1358624622 /nfs/dbraw/zinc/62/46/22/1358624622.db2.gz CFMNDOKRGRCHCL-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085628852 1358646813 /nfs/dbraw/zinc/64/68/13/1358646813.db2.gz GOLYLETVUBQGJY-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687320 1358687394 /nfs/dbraw/zinc/68/73/94/1358687394.db2.gz MSGFTVOYFMIUOP-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1c(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001085686067 1358687603 /nfs/dbraw/zinc/68/76/03/1358687603.db2.gz IOWPBIBAXRGPPQ-KRWDZBQOSA-N 2 0 342.487 3.225 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085987739 1358939208 /nfs/dbraw/zinc/93/92/08/1358939208.db2.gz KQAIITWYUSVCMG-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085988164 1358939396 /nfs/dbraw/zinc/93/93/96/1358939396.db2.gz WRSIMOZBSOIFJZ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCC2)o1 ZINC001085994465 1358949419 /nfs/dbraw/zinc/94/94/19/1358949419.db2.gz LXWRYUFLUUDSQB-QGZVFWFLSA-N 2 0 347.503 3.068 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)[C@@H]1CN(C)CCN1C ZINC001183920049 1387370666 /nfs/dbraw/zinc/37/06/66/1387370666.db2.gz UDTGTZWQNXSDMP-WJMWBRGCSA-N 2 0 329.532 3.327 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001086186646 1359020094 /nfs/dbraw/zinc/02/00/94/1359020094.db2.gz IWOHHYFETQHJBS-MLYOOKFZSA-N 2 0 349.563 3.029 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001086222101 1359032212 /nfs/dbraw/zinc/03/22/12/1359032212.db2.gz ZSUJKPIZVFKBMQ-YRPNKDGESA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001086403162 1359088336 /nfs/dbraw/zinc/08/83/36/1359088336.db2.gz YFHLATGNBKQEMJ-ZULIPRJHSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086414847 1359091492 /nfs/dbraw/zinc/09/14/92/1359091492.db2.gz MTJYDSYTNJAZIR-UFYCRDLUSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086453840 1359101360 /nfs/dbraw/zinc/10/13/60/1359101360.db2.gz GCIIJRJBQPLHQX-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001086503040 1359122325 /nfs/dbraw/zinc/12/23/25/1359122325.db2.gz ZSUJKPIZVFKBMQ-UAFMIMERSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001086700828 1359188097 /nfs/dbraw/zinc/18/80/97/1359188097.db2.gz OIXJCNIYFHPEOH-WZGPROSRSA-N 2 0 349.563 3.027 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086710023 1359190370 /nfs/dbraw/zinc/19/03/70/1359190370.db2.gz FONPALPJFYXBFO-DOTOQJQBSA-N 2 0 349.544 3.098 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086712196 1359190483 /nfs/dbraw/zinc/19/04/83/1359190483.db2.gz UZVRJOLDFFHVCI-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926709 1359251522 /nfs/dbraw/zinc/25/15/22/1359251522.db2.gz HTCOVHKAMRDFLY-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952250 1359272820 /nfs/dbraw/zinc/27/28/20/1359272820.db2.gz DAKMLJSZEPGFJR-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1Cc1ccsc1 ZINC001087569983 1359536523 /nfs/dbraw/zinc/53/65/23/1359536523.db2.gz VHJYEURNNCYYNJ-KSZLIROESA-N 2 0 349.544 3.090 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CC1CCCCC1 ZINC001087578711 1359538867 /nfs/dbraw/zinc/53/88/67/1359538867.db2.gz KXTZFFGYBWBEPU-VNTMZGSJSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1CC ZINC001087593344 1359547043 /nfs/dbraw/zinc/54/70/43/1359547043.db2.gz BVSHJMHEGCLIFG-IPMKNSEASA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001087602656 1359550564 /nfs/dbraw/zinc/55/05/64/1359550564.db2.gz YIYWFYHRTMUFDZ-ZCNNSNEGSA-N 2 0 347.547 3.329 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)CCC[NH+]3CCCCC3)CC2)cs1 ZINC001323613925 1387406367 /nfs/dbraw/zinc/40/63/67/1387406367.db2.gz NURZHFBARNPPQC-UHFFFAOYSA-N 2 0 349.544 3.061 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1Cc1ccsc1 ZINC001087840802 1359675095 /nfs/dbraw/zinc/67/50/95/1359675095.db2.gz ONPZEHLGIHLJPK-KSZLIROESA-N 2 0 349.544 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088323517 1359830788 /nfs/dbraw/zinc/83/07/88/1359830788.db2.gz QXHRSOFJSKGVCX-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001088327052 1359831587 /nfs/dbraw/zinc/83/15/87/1359831587.db2.gz FDEKQGNZEDRZKR-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001088367995 1359852471 /nfs/dbraw/zinc/85/24/71/1359852471.db2.gz YVDCXHTYGOTJOU-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088369795 1359852743 /nfs/dbraw/zinc/85/27/43/1359852743.db2.gz SIJGKACBWNQBHJ-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088394545 1359870774 /nfs/dbraw/zinc/87/07/74/1359870774.db2.gz JBSFNWUQFKIMMC-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001088431503 1359898825 /nfs/dbraw/zinc/89/88/25/1359898825.db2.gz YCZZJLBIEFLNNC-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088605452 1359988612 /nfs/dbraw/zinc/98/86/12/1359988612.db2.gz TTZOXSUTMSJTRQ-NEWSRXKRSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748676 1360030568 /nfs/dbraw/zinc/03/05/68/1360030568.db2.gz QGOHCPKJWPOKEB-UZLBHIALSA-N 2 0 348.450 3.036 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001088812101 1360060373 /nfs/dbraw/zinc/06/03/73/1360060373.db2.gz MFZGPRJNTIXSFZ-LSTHTHJFSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897562 1360097884 /nfs/dbraw/zinc/09/78/84/1360097884.db2.gz NQZSTHDEJDZDFU-NUJGCVRESA-N 2 0 349.544 3.092 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@@H]2C)o1 ZINC001089070382 1360158698 /nfs/dbraw/zinc/15/86/98/1360158698.db2.gz AOLSBOQBYNRZGF-AEFFLSMTSA-N 2 0 347.503 3.280 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001089208648 1360254567 /nfs/dbraw/zinc/25/45/67/1360254567.db2.gz YLQQUMBFZQQQAM-GHBBCFCZSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334965 1360348603 /nfs/dbraw/zinc/34/86/03/1360348603.db2.gz LSAKMKPYQDEMAP-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334960 1360348628 /nfs/dbraw/zinc/34/86/28/1360348628.db2.gz LSAKMKPYQDEMAP-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089384486 1360386244 /nfs/dbraw/zinc/38/62/44/1360386244.db2.gz DOECVOKUOHWOGJ-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385417 1360386819 /nfs/dbraw/zinc/38/68/19/1360386819.db2.gz IEZLVKUBZZQQMC-KRWDZBQOSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398796 1360398712 /nfs/dbraw/zinc/39/87/12/1360398712.db2.gz NUBFTRGTMFXXQB-HNNXBMFYSA-N 2 0 337.533 3.050 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416836 1360410770 /nfs/dbraw/zinc/41/07/70/1360410770.db2.gz QYUOBYQRTYUXSP-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457875 1360445104 /nfs/dbraw/zinc/44/51/04/1360445104.db2.gz HUDLAFMDTOQFRF-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089473308 1360456383 /nfs/dbraw/zinc/45/63/83/1360456383.db2.gz VIPDHLRMAPZZBM-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488146 1360467765 /nfs/dbraw/zinc/46/77/65/1360467765.db2.gz REJIBEGJKKCZMJ-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527646 1360491175 /nfs/dbraw/zinc/49/11/75/1360491175.db2.gz RWWYTFZAACQUTH-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540184 1360497551 /nfs/dbraw/zinc/49/75/51/1360497551.db2.gz SFERKKBIHXEUDE-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559891 1360507260 /nfs/dbraw/zinc/50/72/60/1360507260.db2.gz SVPGWRFSDNNEFD-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561193 1360509346 /nfs/dbraw/zinc/50/93/46/1360509346.db2.gz NXTQKMIAGLJPSM-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564863 1360511286 /nfs/dbraw/zinc/51/12/86/1360511286.db2.gz KFVLLZWQRUZQRU-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC=C(C)C)CC[N@@H+]1C ZINC001089642650 1360555525 /nfs/dbraw/zinc/55/55/25/1360555525.db2.gz OKXBSFUKCOGXLN-GBESFXJTSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663989 1360574212 /nfs/dbraw/zinc/57/42/12/1360574212.db2.gz BSXUDVZDPPUQEC-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCC2)CC[N@@H+]1C ZINC001089686726 1360592552 /nfs/dbraw/zinc/59/25/52/1360592552.db2.gz XIUFJNHQOOIUCC-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC ZINC001089721718 1360623987 /nfs/dbraw/zinc/62/39/87/1360623987.db2.gz JSPDXVDVIZFBRX-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CCCC2)C1 ZINC001089732193 1360636216 /nfs/dbraw/zinc/63/62/16/1360636216.db2.gz OTWBIBMEFYSFOS-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089734068 1360638523 /nfs/dbraw/zinc/63/85/23/1360638523.db2.gz GZQJFJBSDMRNSO-SFHVURJKSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC([NH2+]CC3CCC3)C2)o1 ZINC001091385355 1361073742 /nfs/dbraw/zinc/07/37/42/1361073742.db2.gz GQDDLTICHJBGDP-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184609480 1387500170 /nfs/dbraw/zinc/50/01/70/1387500170.db2.gz NNTOIVAPEFINHB-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CN(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC001323991726 1387505539 /nfs/dbraw/zinc/50/55/39/1387505539.db2.gz SDICQYSILUJFNR-IEBWSBKVSA-N 2 0 337.458 3.396 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190623 1361318762 /nfs/dbraw/zinc/31/87/62/1361318762.db2.gz SIXOVCVYYWIOTD-SBHAEUEKSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302978 1361359347 /nfs/dbraw/zinc/35/93/47/1361359347.db2.gz LLDKDBIMNZRUMQ-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184712300 1387517105 /nfs/dbraw/zinc/51/71/05/1387517105.db2.gz LVWHCUMQBKGODO-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001093372537 1361581621 /nfs/dbraw/zinc/58/16/21/1361581621.db2.gz FJRGBUPMPUIGQN-OALUTQOASA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001324096915 1387539391 /nfs/dbraw/zinc/53/93/91/1387539391.db2.gz FWHUHKPLQIXDAI-QYNAMDDNSA-N 2 0 349.906 3.083 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCCC1 ZINC001095414899 1362133018 /nfs/dbraw/zinc/13/30/18/1362133018.db2.gz CGNBJOXPKZEYFA-QYZOEREBSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415304 1362133137 /nfs/dbraw/zinc/13/31/37/1362133137.db2.gz UJRGEWYAZNOPPE-BDXSIMOUSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417409 1362133425 /nfs/dbraw/zinc/13/34/25/1362133425.db2.gz QHRVGVXFKQHNFJ-LMCOJAPRSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095498699 1362157365 /nfs/dbraw/zinc/15/73/65/1362157365.db2.gz BBFSLVHCNFEWDQ-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001096012085 1362334195 /nfs/dbraw/zinc/33/41/95/1362334195.db2.gz NEXBJMHXQWNFLP-RNQOJCNYSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001096015767 1362335498 /nfs/dbraw/zinc/33/54/98/1362335498.db2.gz RPAOTMFVHPQKEL-LMCOJAPRSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104018 1362384374 /nfs/dbraw/zinc/38/43/74/1362384374.db2.gz BXTQHCJNASLONP-FYQPLNBISA-N 2 0 349.563 3.407 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccccc1 ZINC001324263452 1387573618 /nfs/dbraw/zinc/57/36/18/1387573618.db2.gz LWXGDBZUNLYDAK-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](CC)c1ccccc1 ZINC001324263462 1387574220 /nfs/dbraw/zinc/57/42/20/1387574220.db2.gz LWXGDBZUNLYDAK-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001096348191 1362469880 /nfs/dbraw/zinc/46/98/80/1362469880.db2.gz FDWRDGFSKBUDJQ-ZRNYENFQSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001096887522 1362767713 /nfs/dbraw/zinc/76/77/13/1362767713.db2.gz MDTHHBZYAIURLA-AKHDSKFASA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218862 1362890560 /nfs/dbraw/zinc/89/05/60/1362890560.db2.gz LPLOJFYPPFKVRW-YSTOQKLRSA-N 2 0 347.547 3.161 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097395692 1362970182 /nfs/dbraw/zinc/97/01/82/1362970182.db2.gz VEVRRVGBXXHELG-LZBRWLDZSA-N 2 0 340.471 3.024 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001097853978 1363142248 /nfs/dbraw/zinc/14/22/48/1363142248.db2.gz RPAOTMFVHPQKEL-NBYUQASBSA-N 2 0 347.547 3.020 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC1 ZINC001098099869 1363222223 /nfs/dbraw/zinc/22/22/23/1363222223.db2.gz WYDNGJIBPAGMGB-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106185 1363625091 /nfs/dbraw/zinc/62/50/91/1363625091.db2.gz CJXPYQMJKYAVCV-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099198678 1363688117 /nfs/dbraw/zinc/68/81/17/1363688117.db2.gz CVNRDQCFMBVZCD-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+](CC)CC ZINC001099228975 1363702609 /nfs/dbraw/zinc/70/26/09/1363702609.db2.gz FGYPXLRMTYMXDY-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099334715 1363756024 /nfs/dbraw/zinc/75/60/24/1363756024.db2.gz MDDRRJSXCMNSGZ-JNVNVXKGSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353621 1363768234 /nfs/dbraw/zinc/76/82/34/1363768234.db2.gz DPWRKUCQBXPZMU-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)CCC[NH+]2CCCC2)[N@H+](CC2CCC2)C1 ZINC001099354443 1363768876 /nfs/dbraw/zinc/76/88/76/1363768876.db2.gz SMNHLTYNHUEKEG-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551651 1363843989 /nfs/dbraw/zinc/84/39/89/1363843989.db2.gz AQMWEFJSWRPMKE-NMLBUPMWSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405878 1364104207 /nfs/dbraw/zinc/10/42/07/1364104207.db2.gz QNVKGMHISQSCRL-AFMYVXGZSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001100457269 1364120680 /nfs/dbraw/zinc/12/06/80/1364120680.db2.gz XCMUTTGFMGJRFL-LRYGQEGESA-N 2 0 345.531 3.271 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468676 1364125709 /nfs/dbraw/zinc/12/57/09/1364125709.db2.gz JSCAEGYYTQPIES-GTPINHCMSA-N 2 0 337.552 3.170 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471260 1364126756 /nfs/dbraw/zinc/12/67/56/1364126756.db2.gz WLVKZRDZQQFIHV-HPEWHVDNSA-N 2 0 349.563 3.338 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2C)C1)[NH+](CC)CC ZINC001100669053 1364211331 /nfs/dbraw/zinc/21/13/31/1364211331.db2.gz MJLNJOAXONJQIF-UUKMXZOPSA-N 2 0 345.531 3.100 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100766230 1364251889 /nfs/dbraw/zinc/25/18/89/1364251889.db2.gz XSSIANKRHAMKIG-CTWPCTMYSA-N 2 0 339.568 3.418 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001100785408 1364261320 /nfs/dbraw/zinc/26/13/20/1364261320.db2.gz ISZFIYMNYXAYAC-UHFFFAOYSA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185293261 1387672149 /nfs/dbraw/zinc/67/21/49/1387672149.db2.gz BGGJNYGCIASYTQ-XLIONFOSSA-N 2 0 345.531 3.092 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101279319 1364497019 /nfs/dbraw/zinc/49/70/19/1364497019.db2.gz LEPHGJLMNCRKHF-OPYAIIAOSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101400149 1364545594 /nfs/dbraw/zinc/54/55/94/1364545594.db2.gz IWIHZLLQXATGMI-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001101550408 1364613293 /nfs/dbraw/zinc/61/32/93/1364613293.db2.gz HKACKCCZBISQDY-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040553 1364821024 /nfs/dbraw/zinc/82/10/24/1364821024.db2.gz NKEXOCDNDJOYHF-IVCWSTDESA-N 2 0 349.563 3.005 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427507 1365049085 /nfs/dbraw/zinc/04/90/85/1365049085.db2.gz XUWPFPUCQMPNJY-VJQBDMSCSA-N 2 0 349.563 3.290 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472234 1365073601 /nfs/dbraw/zinc/07/36/01/1365073601.db2.gz PYMSXHCBZZCRHK-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102493121 1365085284 /nfs/dbraw/zinc/08/52/84/1365085284.db2.gz XJGCQXXBHGXPSA-CWHLKURSSA-N 2 0 349.563 3.147 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398206 1365535527 /nfs/dbraw/zinc/53/55/27/1365535527.db2.gz HPLPFRYRZJBWAK-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP C[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001103495767 1365597009 /nfs/dbraw/zinc/59/70/09/1365597009.db2.gz RXVBGJGIGDSDTO-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550576 1365629585 /nfs/dbraw/zinc/62/95/85/1365629585.db2.gz XMTSADTUFZTMME-BGGMYYEUSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104264489 1365971876 /nfs/dbraw/zinc/97/18/76/1365971876.db2.gz OVLOFEVGTXLRNB-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001104369802 1365990806 /nfs/dbraw/zinc/99/08/06/1365990806.db2.gz GOIXGYOWDTZXJX-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001104482255 1366043986 /nfs/dbraw/zinc/04/39/86/1366043986.db2.gz GCEOHFSZMFFVOT-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001324817309 1387782838 /nfs/dbraw/zinc/78/28/38/1387782838.db2.gz FTUZMJJHIIWGGX-CTNGQTDRSA-N 2 0 345.531 3.308 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185708556 1387783386 /nfs/dbraw/zinc/78/33/86/1387783386.db2.gz BKJAPYJQWCMQSW-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104579245 1366085107 /nfs/dbraw/zinc/08/51/07/1366085107.db2.gz LNDWCGPRBGTMCG-QWFCFKBJSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)CC(C)(C)C ZINC001185724307 1387785254 /nfs/dbraw/zinc/78/52/54/1387785254.db2.gz YWRBYWGVIULSAQ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595396 1366094579 /nfs/dbraw/zinc/09/45/79/1366094579.db2.gz RMCQFHGBPCIQNV-YZBXUTEPSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185741487 1387787972 /nfs/dbraw/zinc/78/79/72/1387787972.db2.gz MVRZOPVDRQYBFR-PXNSSMCTSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753933 1366158128 /nfs/dbraw/zinc/15/81/28/1366158128.db2.gz VQSZLOHHHNXHCN-VAMGGRTRSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CCC1CCCCC1 ZINC001105014699 1366274733 /nfs/dbraw/zinc/27/47/33/1366274733.db2.gz XRYDVDHCPMRQNK-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105395996 1366444577 /nfs/dbraw/zinc/44/45/77/1366444577.db2.gz GMAXIZTXYBBGBV-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2[NH+](CC(C)C)CC23CCC3)CC1 ZINC001105396480 1366445089 /nfs/dbraw/zinc/44/50/89/1366445089.db2.gz MTUHHFFDVMDVCF-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C/CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561120 1366531071 /nfs/dbraw/zinc/53/10/71/1366531071.db2.gz HWJWRDMZJURHLH-UEKDZROGSA-N 2 0 349.563 3.435 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001105563337 1366532942 /nfs/dbraw/zinc/53/29/42/1366532942.db2.gz KGHSWUAWCPINBZ-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105574582 1366539586 /nfs/dbraw/zinc/53/95/86/1366539586.db2.gz BKRQUBRMIRWETI-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105575094 1366539958 /nfs/dbraw/zinc/53/99/58/1366539958.db2.gz QSRISOUWJVBYRS-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105576856 1366541526 /nfs/dbraw/zinc/54/15/26/1366541526.db2.gz MOOMMMVKODQIIA-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)CCC1 ZINC001105579214 1366542494 /nfs/dbraw/zinc/54/24/94/1366542494.db2.gz MGWXEJHMPOCGJJ-IBGZPJMESA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105579506 1366542931 /nfs/dbraw/zinc/54/29/31/1366542931.db2.gz PRVOBUREIGHXHE-IBGZPJMESA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106272073 1366640103 /nfs/dbraw/zinc/64/01/03/1366640103.db2.gz RFFKNZWTCKNEON-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001106378353 1366675990 /nfs/dbraw/zinc/67/59/90/1366675990.db2.gz NZBMQLRYYCOHKT-SJLPKXTDSA-N 2 0 342.487 3.068 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106482279 1366708573 /nfs/dbraw/zinc/70/85/73/1366708573.db2.gz GJAPOGAIBFYRJX-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571222 1366740452 /nfs/dbraw/zinc/74/04/52/1366740452.db2.gz PYGXMKCGFMGUGG-PFRNKHFKSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106905120 1366829037 /nfs/dbraw/zinc/82/90/37/1366829037.db2.gz BJDXINIRDJVJTP-TYFAACHXSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001106905156 1366829212 /nfs/dbraw/zinc/82/92/12/1366829212.db2.gz CLEFEFNEOPOISF-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107033742 1366861863 /nfs/dbraw/zinc/86/18/63/1366861863.db2.gz YXGIWMIYYYUZQN-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2)[NH+](C)C ZINC001107450117 1366968172 /nfs/dbraw/zinc/96/81/72/1366968172.db2.gz CXDOEWRGUSMVBM-MBOZVWFJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)(C)C1)CC2 ZINC001107581802 1367055863 /nfs/dbraw/zinc/05/58/63/1367055863.db2.gz LVPSUTIPRYVHIJ-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001107598487 1367064983 /nfs/dbraw/zinc/06/49/83/1367064983.db2.gz FHNSBPONFSZVDL-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001324956861 1387849953 /nfs/dbraw/zinc/84/99/53/1387849953.db2.gz GFXWZRKJDNHLCT-QUCCMNQESA-N 2 0 339.568 3.227 20 0 EGADRP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001107634434 1367085554 /nfs/dbraw/zinc/08/55/54/1367085554.db2.gz ZNEKOLYEINLITQ-TZIWHRDSSA-N 2 0 347.547 3.023 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)CCC1 ZINC001109403446 1367106245 /nfs/dbraw/zinc/10/62/45/1367106245.db2.gz HLETVWPBMUODBI-QYZOEREBSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1)C1CCC1 ZINC001109411631 1367109877 /nfs/dbraw/zinc/10/98/77/1367109877.db2.gz FBYGUMBFYCHAOA-AABGKKOBSA-N 2 0 345.531 3.083 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001109428299 1367116140 /nfs/dbraw/zinc/11/61/40/1367116140.db2.gz YSKWUNXKFUVIFP-OWSLCNJRSA-N 2 0 337.552 3.120 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCC3CCCC3)C[C@H]21 ZINC001189892006 1367124248 /nfs/dbraw/zinc/12/42/48/1367124248.db2.gz VMFFOLHEVOCFAF-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489345 1367155354 /nfs/dbraw/zinc/15/53/54/1367155354.db2.gz RQMVCWJWMMHDBE-ZBHNHUSPSA-N 2 0 338.455 3.026 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520006 1367173390 /nfs/dbraw/zinc/17/33/90/1367173390.db2.gz DWJCFBXFBKRJKA-RBLOLEQCSA-N 2 0 338.455 3.026 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190178908 1367192273 /nfs/dbraw/zinc/19/22/73/1367192273.db2.gz XLCDHNPSVRFUNH-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178929 1367192593 /nfs/dbraw/zinc/19/25/93/1367192593.db2.gz XUYXEWOXZZKREJ-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190442787 1367265879 /nfs/dbraw/zinc/26/58/79/1367265879.db2.gz BHXHZPQMPXJJAL-ZBFHGGJFSA-N 2 0 337.533 3.002 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190442786 1367266517 /nfs/dbraw/zinc/26/65/17/1367266517.db2.gz BHXHZPQMPXJJAL-HOCLYGCPSA-N 2 0 337.533 3.002 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001109868129 1367370370 /nfs/dbraw/zinc/37/03/70/1367370370.db2.gz CGFOYFWXMYESJN-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CCc1ccc(C[NH+](C)[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)cc1 ZINC001190997264 1367398238 /nfs/dbraw/zinc/39/82/38/1367398238.db2.gz SYEDOLCYTQGJEO-IBGZPJMESA-N 2 0 345.531 3.012 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001191416462 1367498889 /nfs/dbraw/zinc/49/88/89/1367498889.db2.gz IFTKDAXQAMDASI-NVXWUHKLSA-N 2 0 335.467 3.267 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507043 1367517043 /nfs/dbraw/zinc/51/70/43/1367517043.db2.gz GVFINDSZGZDFMH-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)CCCC1 ZINC001191561501 1367528443 /nfs/dbraw/zinc/52/84/43/1367528443.db2.gz PDPURIAKJKKBBA-QGZVFWFLSA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001108716329 1367553076 /nfs/dbraw/zinc/55/30/76/1367553076.db2.gz PBBPURRJCCVNEN-BQFCYCMXSA-N 2 0 340.471 3.026 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108733918 1367564876 /nfs/dbraw/zinc/56/48/76/1367564876.db2.gz KZADGVLADKNTTE-BZSNNMDCSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738761 1367567664 /nfs/dbraw/zinc/56/76/64/1367567664.db2.gz HGVXBBAAJMCCEC-CXLTZZKYSA-N 2 0 347.547 3.186 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749475 1367572775 /nfs/dbraw/zinc/57/27/75/1367572775.db2.gz BPBXRHLLDJNLIP-NEPBSLMDSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108804803 1367606673 /nfs/dbraw/zinc/60/66/73/1367606673.db2.gz YOLFTLFAYMYUEC-LNMLPRMJSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCC(C)C)C2)C1 ZINC001191921416 1367639476 /nfs/dbraw/zinc/63/94/76/1367639476.db2.gz CKHCYZIEYCEDBG-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC(C)C)C2)C1 ZINC001191921417 1367639582 /nfs/dbraw/zinc/63/95/82/1367639582.db2.gz CKHCYZIEYCEDBG-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192324510 1367750967 /nfs/dbraw/zinc/75/09/67/1367750967.db2.gz GSVJCQABTUDGDM-DBBWNDPISA-N 2 0 337.552 3.386 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192376837 1367767680 /nfs/dbraw/zinc/76/76/80/1367767680.db2.gz DJWUYWUJJGTHJW-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192655610 1367843433 /nfs/dbraw/zinc/84/34/33/1367843433.db2.gz NAQOUPPLWBXXMN-HKUYNNGSSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110626834 1367875043 /nfs/dbraw/zinc/87/50/43/1367875043.db2.gz SYGHRURLDVZEKJ-AKHDSKFASA-N 2 0 349.563 3.409 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661095 1367904061 /nfs/dbraw/zinc/90/40/61/1367904061.db2.gz MRHPNRFZSDYUPI-WTGUMLROSA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C(C)C ZINC001192916672 1367904324 /nfs/dbraw/zinc/90/43/24/1367904324.db2.gz BLGPQEBYDJTTSI-WOJBJXKFSA-N 2 0 345.531 3.086 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1)C(C)C ZINC001192918165 1367904843 /nfs/dbraw/zinc/90/48/43/1367904843.db2.gz XZSRMAWTBZHCFI-RBUKOAKNSA-N 2 0 339.568 3.322 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1 ZINC001193423490 1368025350 /nfs/dbraw/zinc/02/53/50/1368025350.db2.gz APQMUNILWUSEIK-IBGZPJMESA-N 2 0 337.552 3.388 20 0 EGADRP CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425134 1368027370 /nfs/dbraw/zinc/02/73/70/1368027370.db2.gz TYLGGYKTXPRBJC-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857473 1368037495 /nfs/dbraw/zinc/03/74/95/1368037495.db2.gz BZSDWGJTXDOJCR-QRVBRYPASA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886120 1368059968 /nfs/dbraw/zinc/05/99/68/1368059968.db2.gz NAITYFFZKCJSGP-KURKYZTESA-N 2 0 335.536 3.019 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193559813 1368061344 /nfs/dbraw/zinc/06/13/44/1368061344.db2.gz MCWYREKJYYNGPU-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193572038 1368065074 /nfs/dbraw/zinc/06/50/74/1368065074.db2.gz ZZGPBRNOWKLVAE-IBGZPJMESA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193612177 1368074502 /nfs/dbraw/zinc/07/45/02/1368074502.db2.gz ZZUNMRPXUQSVHZ-UYAOXDASSA-N 2 0 345.531 3.321 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018279 1368143427 /nfs/dbraw/zinc/14/34/27/1368143427.db2.gz PEBMBCSELYLKGK-ZHKKWTBGSA-N 2 0 335.536 3.185 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098659 1368158049 /nfs/dbraw/zinc/15/80/49/1368158049.db2.gz JUDIOELLUJHNLX-YSTOQKLRSA-N 2 0 349.563 3.407 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194072190 1368178669 /nfs/dbraw/zinc/17/86/69/1368178669.db2.gz NWACILNWVFKSJF-FQEVSTJZSA-N 2 0 347.547 3.286 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194079265 1368178995 /nfs/dbraw/zinc/17/89/95/1368178995.db2.gz ACUOFBDOWRLJLI-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081482 1368179330 /nfs/dbraw/zinc/17/93/30/1368179330.db2.gz PYSJNNOMJYOGMS-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246538 1368217665 /nfs/dbraw/zinc/21/76/65/1368217665.db2.gz OGLDYXDJKXYWCD-RURPWVQCSA-N 2 0 343.515 3.251 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275190 1368222855 /nfs/dbraw/zinc/22/28/55/1368222855.db2.gz PSOWOMCBUZSJSB-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)C)C2)o1 ZINC001194407083 1368254537 /nfs/dbraw/zinc/25/45/37/1368254537.db2.gz HDPFNXOXJADVRS-QGZVFWFLSA-N 2 0 349.519 3.314 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CC=C(C)C)C2)o1 ZINC001194408082 1368255190 /nfs/dbraw/zinc/25/51/90/1368255190.db2.gz OMNXWYZWSNHWFO-KRWDZBQOSA-N 2 0 347.503 3.234 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001111309217 1368262341 /nfs/dbraw/zinc/26/23/41/1368262341.db2.gz LUKGDXNNACUUBG-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464105 1368310737 /nfs/dbraw/zinc/31/07/37/1368310737.db2.gz IBUMTCVBAOQFMO-WTGUMLROSA-N 2 0 343.515 3.199 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001111467240 1368311675 /nfs/dbraw/zinc/31/16/75/1368311675.db2.gz BZHRMBHGLOHKKW-AKHDSKFASA-N 2 0 349.563 3.265 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001186419819 1387938919 /nfs/dbraw/zinc/93/89/19/1387938919.db2.gz GWLBJAQVQXDCCR-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)C(C)C ZINC001186420957 1387939114 /nfs/dbraw/zinc/93/91/14/1387939114.db2.gz SONCHZZLKWJKLQ-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001111816968 1368479645 /nfs/dbraw/zinc/47/96/45/1368479645.db2.gz GZWWYSAYWXMPLC-ZJOUEHCJSA-N 2 0 347.547 3.022 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858290 1368509942 /nfs/dbraw/zinc/50/99/42/1368509942.db2.gz XSEIIBZCUXRXHF-GGVAOPBYSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870592 1368517758 /nfs/dbraw/zinc/51/77/58/1368517758.db2.gz FKWNEXMHIHNJSH-PTDRADOGSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870611 1368518148 /nfs/dbraw/zinc/51/81/48/1368518148.db2.gz GQTLNDAALUIPSR-PTDRADOGSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001196060212 1368541281 /nfs/dbraw/zinc/54/12/81/1368541281.db2.gz OVLQZVLLFVUXKG-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275947 1368582686 /nfs/dbraw/zinc/58/26/86/1368582686.db2.gz PCLJWCIBEAWMSJ-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001196889407 1368707331 /nfs/dbraw/zinc/70/73/31/1368707331.db2.gz CVNAAZZFKAOBQK-IBGZPJMESA-N 2 0 337.552 3.223 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001186489199 1387954923 /nfs/dbraw/zinc/95/49/23/1387954923.db2.gz XOUGHOZKHNPKRN-FXAWDEMLSA-N 2 0 345.531 3.403 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001197795554 1368899581 /nfs/dbraw/zinc/89/95/81/1368899581.db2.gz XOUWVRZTNQHHEB-SFHVURJKSA-N 2 0 343.531 3.171 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001197922411 1368924915 /nfs/dbraw/zinc/92/49/15/1368924915.db2.gz RONVCKHCZQZCTF-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259860 1368992190 /nfs/dbraw/zinc/99/21/90/1368992190.db2.gz RZSWVCOBKLAUIN-PRPIBZDOSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@@H](O)C[NH2+][C@]1(C)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001198271968 1368995291 /nfs/dbraw/zinc/99/52/91/1368995291.db2.gz ZJUUDQGKPGYQNL-BHIFYINESA-N 2 0 338.495 3.405 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282756 1368996438 /nfs/dbraw/zinc/99/64/38/1368996438.db2.gz GQOFITLQULWPPL-LJQANCHMSA-N 2 0 349.494 3.151 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364397 1369016701 /nfs/dbraw/zinc/01/67/01/1369016701.db2.gz UFKAPSKHEAKNCD-ONEGZZNKSA-N 2 0 335.536 3.143 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596805 1387979199 /nfs/dbraw/zinc/97/91/99/1387979199.db2.gz ALHPVRNEYBLFGN-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112964836 1369112365 /nfs/dbraw/zinc/11/23/65/1369112365.db2.gz ABXZVQPPQVUWLK-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1c(C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)ccc2c[nH+]cn21 ZINC001113054202 1369169627 /nfs/dbraw/zinc/16/96/27/1369169627.db2.gz YFONHEDKJKINNF-UHFFFAOYSA-N 2 0 342.487 3.227 20 0 EGADRP CCCCCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113155521 1369232310 /nfs/dbraw/zinc/23/23/10/1369232310.db2.gz RTVZNLIMFZRITD-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001200095911 1369314702 /nfs/dbraw/zinc/31/47/02/1369314702.db2.gz PBBMXARQFZSSGH-HXUWFJFHSA-N 2 0 348.494 3.297 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001200578589 1369393676 /nfs/dbraw/zinc/39/36/76/1369393676.db2.gz XSOBNYLBKOPGLF-AATRIKPKSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401491 1369400460 /nfs/dbraw/zinc/40/04/60/1369400460.db2.gz DKKXXPJJWVBUKX-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001200621298 1369401527 /nfs/dbraw/zinc/40/15/27/1369401527.db2.gz HJNYKOIIRNSECT-QUCCMNQESA-N 2 0 330.516 3.346 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001113439813 1369429915 /nfs/dbraw/zinc/42/99/15/1369429915.db2.gz WBZILBRMWXIJLF-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001200893540 1369444810 /nfs/dbraw/zinc/44/48/10/1369444810.db2.gz DUYDCQVHRGNIBB-RURPWVQCSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001200894327 1369445257 /nfs/dbraw/zinc/44/52/57/1369445257.db2.gz PHGOWSJRVJVKBP-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053422 1369472916 /nfs/dbraw/zinc/47/29/16/1369472916.db2.gz OSOFLTOQTUVQFU-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001201321532 1369518623 /nfs/dbraw/zinc/51/86/23/1369518623.db2.gz OPXSVCKNRDZEIE-XFXZXTDPSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201400803 1369537315 /nfs/dbraw/zinc/53/73/15/1369537315.db2.gz VIONZQHQCPBJQL-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H](C)CCC=C(C)C)CC2 ZINC001201486175 1369555449 /nfs/dbraw/zinc/55/54/49/1369555449.db2.gz NASMPAPKRLKBHK-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201543871 1369569299 /nfs/dbraw/zinc/56/92/99/1369569299.db2.gz LLVBNTRKDJIFKK-DFQSSKMNSA-N 2 0 331.504 3.041 20 0 EGADRP COc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)ccc1SC ZINC001201659407 1369599192 /nfs/dbraw/zinc/59/91/92/1369599192.db2.gz WPMMYJQMCXBOLA-UHFFFAOYSA-N 2 0 344.484 3.308 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(-c4ccccn4)nc3)cc[nH+]2)CC1 ZINC001201659434 1369599252 /nfs/dbraw/zinc/59/92/52/1369599252.db2.gz XTQOXMWBJFMCGC-UHFFFAOYSA-N 2 0 346.438 3.034 20 0 EGADRP Cc1cc(C)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C)c1N ZINC001201665731 1369599995 /nfs/dbraw/zinc/59/99/95/1369599995.db2.gz HHBHWLFYOFTDMO-UHFFFAOYSA-N 2 0 325.460 3.084 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc(OC(F)F)c3)cc[nH+]2)CC1 ZINC001201665407 1369600844 /nfs/dbraw/zinc/60/08/44/1369600844.db2.gz FRNZZOWWQXRENO-UHFFFAOYSA-N 2 0 334.370 3.178 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccccc3OCC3CC3)cc[nH+]2)CC1 ZINC001201671389 1369602814 /nfs/dbraw/zinc/60/28/14/1369602814.db2.gz BFEBBWAQQALCAV-UHFFFAOYSA-N 2 0 338.455 3.366 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)CCCC1 ZINC001201839161 1369632717 /nfs/dbraw/zinc/63/27/17/1369632717.db2.gz KDPGAVOQZUUJFF-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP COc1cc2c(cc1CN[C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)OCO2 ZINC001201947035 1369649584 /nfs/dbraw/zinc/64/95/84/1369649584.db2.gz QJAGLRWATMQSMX-CABCVRRESA-N 2 0 346.471 3.167 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156843 1369703363 /nfs/dbraw/zinc/70/33/63/1369703363.db2.gz LXZFCPYRWOIBCF-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001202238397 1369720781 /nfs/dbraw/zinc/72/07/81/1369720781.db2.gz DXCNIAWGVPMLDN-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CCCC(C)C)CC1)[NH+](CC)CC ZINC001202473996 1369783026 /nfs/dbraw/zinc/78/30/26/1369783026.db2.gz SGIZAFAIZORPPY-SFHVURJKSA-N 2 0 325.541 3.124 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC001202561156 1369807281 /nfs/dbraw/zinc/80/72/81/1369807281.db2.gz BVRWUIDSZFHUFD-UHFFFAOYSA-N 2 0 343.515 3.185 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001186982120 1388035196 /nfs/dbraw/zinc/03/51/96/1388035196.db2.gz XSLYZUGAXHZBKT-VRKMBTERSA-N 2 0 335.536 3.188 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC001114356126 1369909759 /nfs/dbraw/zinc/90/97/59/1369909759.db2.gz YZQCWJXTIWFQQH-FVQHAEBGSA-N 2 0 349.544 3.050 20 0 EGADRP CCCc1ccc(C[NH2+]C2CCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC001203010111 1369952867 /nfs/dbraw/zinc/95/28/67/1369952867.db2.gz GWFPLEBSEXGLHY-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]([NH2+]CCCC(C)(C)C)C23CCC3)CCC1 ZINC001203030560 1369960883 /nfs/dbraw/zinc/96/08/83/1369960883.db2.gz ZRNFYNRTIYSOPZ-DLBZAZTESA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203035543 1369962349 /nfs/dbraw/zinc/96/23/49/1369962349.db2.gz CCGVXFXCJDFPON-ASIGSXEYSA-N 2 0 347.547 3.234 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001203158166 1370004458 /nfs/dbraw/zinc/00/44/58/1370004458.db2.gz JZSCXIAHWJMBEN-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203201779 1370023172 /nfs/dbraw/zinc/02/31/72/1370023172.db2.gz JRGQPSBPNXKAGU-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230703 1370032724 /nfs/dbraw/zinc/03/27/24/1370032724.db2.gz PTTXXIPYMYPTFX-ZWKOTPCHSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313483 1370078418 /nfs/dbraw/zinc/07/84/18/1370078418.db2.gz RMXWWIWFAVMCGD-PXNSSMCTSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420940 1370118848 /nfs/dbraw/zinc/11/88/48/1370118848.db2.gz XZTXBRUCKQUBQN-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203522701 1370153781 /nfs/dbraw/zinc/15/37/81/1370153781.db2.gz NZNCYQLUDVPNNQ-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203556348 1370168159 /nfs/dbraw/zinc/16/81/59/1370168159.db2.gz LUVSQGUBJDILHH-RTBURBONSA-N 2 0 347.547 3.090 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203629901 1370193008 /nfs/dbraw/zinc/19/30/08/1370193008.db2.gz DFXRPDOKDATRPY-LXORQPIJSA-N 2 0 349.563 3.482 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203769882 1370257244 /nfs/dbraw/zinc/25/72/44/1370257244.db2.gz CABWMCMQKYEYKZ-QVOQXLMASA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770161 1370258239 /nfs/dbraw/zinc/25/82/39/1370258239.db2.gz DRSQEKYFAIGAQQ-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP COc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1OC ZINC001203837915 1370285507 /nfs/dbraw/zinc/28/55/07/1370285507.db2.gz GTGRIUOWTWLYDG-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203852779 1370289516 /nfs/dbraw/zinc/28/95/16/1370289516.db2.gz DRSYUFMVZUVONN-CALCHBBNSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001203887981 1370299742 /nfs/dbraw/zinc/29/97/42/1370299742.db2.gz GKRMDCWTQOAGNA-AATRIKPKSA-N 2 0 343.515 3.299 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1)C2 ZINC001203890082 1370300512 /nfs/dbraw/zinc/30/05/12/1370300512.db2.gz DVSIWYVBHASLBG-SFTDATJTSA-N 2 0 328.500 3.175 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204062015 1370364698 /nfs/dbraw/zinc/36/46/98/1370364698.db2.gz KDDZTVNFLYOSLW-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC001204270350 1370428244 /nfs/dbraw/zinc/42/82/44/1370428244.db2.gz STQVDTMYXYMZPX-UHFFFAOYSA-N 2 0 342.487 3.051 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC001204269179 1370428259 /nfs/dbraw/zinc/42/82/59/1370428259.db2.gz VSTXJHFPTOONIE-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450920 1370458986 /nfs/dbraw/zinc/45/89/86/1370458986.db2.gz TYZNBOWKYRTDDX-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC(=O)n1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c2ccccc21 ZINC001204410232 1370469367 /nfs/dbraw/zinc/46/93/67/1370469367.db2.gz MKEWUGYQOFJVHY-UHFFFAOYSA-N 2 0 325.456 3.219 20 0 EGADRP Cc1nc[nH]c1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001204589101 1370525055 /nfs/dbraw/zinc/52/50/55/1370525055.db2.gz FABCSWTYCPJOBI-GOSISDBHSA-N 2 0 328.460 3.188 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536757 1370533629 /nfs/dbraw/zinc/53/36/29/1370533629.db2.gz GOBZFDKEWJJACE-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537139 1370534228 /nfs/dbraw/zinc/53/42/28/1370534228.db2.gz YAJGYAGCEIFNQF-RBUKOAKNSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115562932 1370562880 /nfs/dbraw/zinc/56/28/80/1370562880.db2.gz MBTWTMKVNWBHSX-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP Cc1cc(-c2cccc(Cl)c2)ncc1CN1CCO[C@@H](CC[NH3+])C1 ZINC001204754812 1370566834 /nfs/dbraw/zinc/56/68/34/1370566834.db2.gz AHUAIMFUSVIODP-SFHVURJKSA-N 2 0 345.874 3.260 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1)C1CCC1 ZINC001115574776 1370577986 /nfs/dbraw/zinc/57/79/86/1370577986.db2.gz PPNQWKPCGVMVRO-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115591992 1370593335 /nfs/dbraw/zinc/59/33/35/1370593335.db2.gz OCAMIOYTXMJNBO-CNZFZVQHSA-N 2 0 337.552 3.482 20 0 EGADRP C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204885181 1370596313 /nfs/dbraw/zinc/59/63/13/1370596313.db2.gz MLVKAUJEAJXZRI-UHFFFAOYSA-N 2 0 349.400 3.421 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598010 1370597989 /nfs/dbraw/zinc/59/79/89/1370597989.db2.gz FHKQSIKGPVNCQW-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](F)CC[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617495 1370614318 /nfs/dbraw/zinc/61/43/18/1370614318.db2.gz ZPKHDZLOEYQNKJ-HNNXBMFYSA-N 2 0 346.450 3.105 20 0 EGADRP O=C(CCc1ncc[nH]1)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205119234 1370655719 /nfs/dbraw/zinc/65/57/19/1370655719.db2.gz PJSYVCBSFBZFRO-UHFFFAOYSA-N 2 0 344.503 3.061 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)CC1 ZINC001115696183 1370677197 /nfs/dbraw/zinc/67/71/97/1370677197.db2.gz JTDVOZDIXRXZPV-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001205208758 1370680895 /nfs/dbraw/zinc/68/08/95/1370680895.db2.gz FVXYGIGSSYELDH-GOSISDBHSA-N 2 0 334.847 3.276 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205241411 1370692127 /nfs/dbraw/zinc/69/21/27/1370692127.db2.gz DOMXUWAYIVJQSY-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]c3cc(Br)cnc23)CC1 ZINC001205281035 1370704548 /nfs/dbraw/zinc/70/45/48/1370704548.db2.gz OKHUIZYYXGQMPH-HNNXBMFYSA-N 2 0 337.265 3.029 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)ccc1OC(F)(F)F ZINC001205296505 1370710991 /nfs/dbraw/zinc/71/09/91/1370710991.db2.gz QIPLYYPZFGMZDH-OAHLLOKOSA-N 2 0 332.366 3.297 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205297231 1370711116 /nfs/dbraw/zinc/71/11/16/1370711116.db2.gz QIZRPZJCQZKJLI-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115729883 1370711780 /nfs/dbraw/zinc/71/17/80/1370711780.db2.gz WUMIVITZHNRCMN-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730140 1370712039 /nfs/dbraw/zinc/71/20/39/1370712039.db2.gz DBMPIEAPJLCPQO-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730019 1370712373 /nfs/dbraw/zinc/71/23/73/1370712373.db2.gz BBDIBAGPBHMDKS-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115729887 1370712465 /nfs/dbraw/zinc/71/24/65/1370712465.db2.gz WWSGRZUHHSPFAV-QGZVFWFLSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730545 1370713208 /nfs/dbraw/zinc/71/32/08/1370713208.db2.gz NGPSHBPMFJXFPM-MRXNPFEDSA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730716 1370713808 /nfs/dbraw/zinc/71/38/08/1370713808.db2.gz QLFCEOAWVHSWCP-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1C[NH3+] ZINC001205305926 1370715620 /nfs/dbraw/zinc/71/56/20/1370715620.db2.gz UNWCAALHCSEMQC-NEPJUHHUSA-N 2 0 336.277 3.347 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)c2c1 ZINC001205318294 1370720322 /nfs/dbraw/zinc/72/03/22/1370720322.db2.gz TYRNULWBRADDEG-HOCLYGCPSA-N 2 0 328.456 3.274 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490447 1370771030 /nfs/dbraw/zinc/77/10/30/1370771030.db2.gz HEIPPKZQSKJTCZ-QWUACUGRSA-N 2 0 337.552 3.147 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115805774 1370789161 /nfs/dbraw/zinc/78/91/61/1370789161.db2.gz FZAPOXBGRHUKKT-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001205558115 1370790854 /nfs/dbraw/zinc/79/08/54/1370790854.db2.gz BWUPJFUSEITQGQ-SFHVURJKSA-N 2 0 348.853 3.450 20 0 EGADRP CCn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001205563386 1370793059 /nfs/dbraw/zinc/79/30/59/1370793059.db2.gz OMDHYDJXASHPTF-NHCUHLMSSA-N 2 0 338.499 3.247 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)cc1Cl ZINC001205579227 1370798815 /nfs/dbraw/zinc/79/88/15/1370798815.db2.gz LGJHRWLLTSZMAA-MRXNPFEDSA-N 2 0 330.831 3.010 20 0 EGADRP Cc1sc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205579181 1370798914 /nfs/dbraw/zinc/79/89/14/1370798914.db2.gz KZQWDTIBWNLPBB-CYBMUJFWSA-N 2 0 335.286 3.472 20 0 EGADRP CC(C)Oc1c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc(F)c1F ZINC001205591140 1370802695 /nfs/dbraw/zinc/80/26/95/1370802695.db2.gz FIFKADXTURPCPU-KRWDZBQOSA-N 2 0 330.394 3.405 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)c1Cl ZINC001205592338 1370803480 /nfs/dbraw/zinc/80/34/80/1370803480.db2.gz TXSXICIYARCBEY-INIZCTEOSA-N 2 0 330.831 3.010 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205592586 1370803606 /nfs/dbraw/zinc/80/36/06/1370803606.db2.gz WQNXAUFJSOJOLZ-HXUWFJFHSA-N 2 0 343.446 3.410 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC001205616909 1370811429 /nfs/dbraw/zinc/81/14/29/1370811429.db2.gz HNIGPISZEHLTNB-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[NH2+]C(C)(C)C)cc2)C1 ZINC001115966712 1370812085 /nfs/dbraw/zinc/81/20/85/1370812085.db2.gz ZEHVGRIYQALZHH-IRXDYDNUSA-N 2 0 345.531 3.169 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205617758 1370813238 /nfs/dbraw/zinc/81/32/38/1370813238.db2.gz NEKLTTRBMSPJLH-CABCVRRESA-N 2 0 343.471 3.151 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)nc2)CC[C@@H]1C[NH3+] ZINC001205625946 1370816056 /nfs/dbraw/zinc/81/60/56/1370816056.db2.gz CUEQIZJFFXWTBC-GOEBONIOSA-N 2 0 328.435 3.090 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205635424 1370820835 /nfs/dbraw/zinc/82/08/35/1370820835.db2.gz AIDHXBYJNBACNR-UONOGXRCSA-N 2 0 325.884 3.329 20 0 EGADRP Cc1ccc(Oc2cccc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)c2)cc1 ZINC001205689706 1370843433 /nfs/dbraw/zinc/84/34/33/1370843433.db2.gz QQLFQJYHMUBYLD-OAQYLSRUSA-N 2 0 340.467 3.463 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001205688378 1370843672 /nfs/dbraw/zinc/84/36/72/1370843672.db2.gz GUUUXNWLVISVTK-HXUWFJFHSA-N 2 0 344.430 3.294 20 0 EGADRP Cc1ccc(C[C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001116294346 1370880805 /nfs/dbraw/zinc/88/08/05/1370880805.db2.gz WBTVKKJTONPJHF-IBGZPJMESA-N 2 0 337.511 3.468 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205996017 1370933217 /nfs/dbraw/zinc/93/32/17/1370933217.db2.gz TVSLJSAUBKLGFN-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC001206012618 1370938295 /nfs/dbraw/zinc/93/82/95/1370938295.db2.gz MZXHAMZOCOLECG-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC(F)(F)F)c1 ZINC001206013985 1370938822 /nfs/dbraw/zinc/93/88/22/1370938822.db2.gz UQAISESYAAVQMJ-CHWSQXEVSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CCC[C@@H]1C[NH3+] ZINC001206024589 1370942101 /nfs/dbraw/zinc/94/21/01/1370942101.db2.gz KJJLKZPXDSOVKA-UKRRQHHQSA-N 2 0 331.485 3.323 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccnc(OCc3ccccc3)c2)CCC[C@@H]1C[NH3+] ZINC001206036732 1370945054 /nfs/dbraw/zinc/94/50/54/1370945054.db2.gz PCWZGWSKAUKSFZ-FXAWDEMLSA-N 2 0 339.483 3.467 20 0 EGADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001206084717 1370956874 /nfs/dbraw/zinc/95/68/74/1370956874.db2.gz MJGIKXBEHPPRHN-QLFBSQMISA-N 2 0 334.451 3.064 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc4c(c3)CC(=O)N4)cc2)CC1 ZINC001206228595 1370998022 /nfs/dbraw/zinc/99/80/22/1370998022.db2.gz MFIIRZQJUNXCKQ-UHFFFAOYSA-N 2 0 335.451 3.019 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206275151 1371009870 /nfs/dbraw/zinc/00/98/70/1371009870.db2.gz ONHOYJKEWCLWPH-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP Cn1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)n1 ZINC001206280297 1371011129 /nfs/dbraw/zinc/01/11/29/1371011129.db2.gz PFXZCURNARIVSY-UHFFFAOYSA-N 2 0 344.528 3.360 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001206297641 1371015223 /nfs/dbraw/zinc/01/52/23/1371015223.db2.gz ZBNCWKZFBNOAAZ-SFTDATJTSA-N 2 0 329.532 3.492 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)c1ccccc1 ZINC001206301010 1371015353 /nfs/dbraw/zinc/01/53/53/1371015353.db2.gz IGJHAMGLRYNLIH-PMACEKPBSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(OCc3ccccc3)no2)CC1 ZINC001206318942 1371019669 /nfs/dbraw/zinc/01/96/69/1371019669.db2.gz VLMXYCMEWCIHTJ-LJQANCHMSA-N 2 0 329.444 3.205 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001206317517 1371020142 /nfs/dbraw/zinc/02/01/42/1371020142.db2.gz GNKRZVBZZLEAKM-FQEVSTJZSA-N 2 0 348.487 3.208 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1-c1cnn(CC[NH+](C)C)c1 ZINC001206373848 1371036286 /nfs/dbraw/zinc/03/62/86/1371036286.db2.gz RYFCUTCBNNXKLA-UHFFFAOYSA-N 2 0 326.488 3.406 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206487289 1371070560 /nfs/dbraw/zinc/07/05/60/1371070560.db2.gz BNWZWOZPMCLHBE-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP COc1ccc2nc(Cl)c(C[NH+]3CCC(CC[NH3+])CC3)cc2c1 ZINC001206500962 1371074736 /nfs/dbraw/zinc/07/47/36/1371074736.db2.gz XIEUAQJFWPZDCA-UHFFFAOYSA-N 2 0 333.863 3.458 20 0 EGADRP Cc1cc(F)cc(Br)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506724 1371076988 /nfs/dbraw/zinc/07/69/88/1371076988.db2.gz MYDMAPFGOFSUSW-UHFFFAOYSA-N 2 0 329.257 3.457 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206548955 1371090054 /nfs/dbraw/zinc/09/00/54/1371090054.db2.gz SJGZXBOOOXTILB-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1OC(F)F ZINC001206548128 1371090347 /nfs/dbraw/zinc/09/03/47/1371090347.db2.gz HDJZCTURWBFMCP-QGZVFWFLSA-N 2 0 328.403 3.248 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)C1 ZINC001206573882 1371097535 /nfs/dbraw/zinc/09/75/35/1371097535.db2.gz OQWNHQXZIZOQRQ-HNNXBMFYSA-N 2 0 332.366 3.242 20 0 EGADRP C[NH+]1CCC(COc2ccc(Nc3cc[nH+]c(N)c3)cc2F)CC1 ZINC001206578670 1371099486 /nfs/dbraw/zinc/09/94/86/1371099486.db2.gz WAOQMWPQMLKLDM-UHFFFAOYSA-N 2 0 330.407 3.267 20 0 EGADRP CC(C)[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206592271 1371102013 /nfs/dbraw/zinc/10/20/13/1371102013.db2.gz ZZRKKWKCFDLDED-GOSISDBHSA-N 2 0 330.451 3.364 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001206624321 1371111509 /nfs/dbraw/zinc/11/15/09/1371111509.db2.gz UQUNAAXXILPKRV-HNNXBMFYSA-N 2 0 330.863 3.358 20 0 EGADRP COc1c(C)cc(Br)cc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206646863 1371118165 /nfs/dbraw/zinc/11/81/65/1371118165.db2.gz DVCCAKFNKYSBNR-ZDUSSCGKSA-N 2 0 341.293 3.327 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001118059915 1371126595 /nfs/dbraw/zinc/12/65/95/1371126595.db2.gz UVEOYGLEINTLTA-VQIMIIECSA-N 2 0 326.488 3.416 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(C(=O)CC[N@H+](C)CC)CC1)c1ccccc1 ZINC001206779726 1371162687 /nfs/dbraw/zinc/16/26/87/1371162687.db2.gz LXNLGKYBKFRQBA-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)no2)cc1 ZINC001206830165 1371182549 /nfs/dbraw/zinc/18/25/49/1371182549.db2.gz VIDHKANRXILXHJ-UHFFFAOYSA-N 2 0 341.455 3.268 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001206872410 1371198981 /nfs/dbraw/zinc/19/89/81/1371198981.db2.gz CJDWIYYWKULOGL-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP c1ccc(N2CCCC2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001118568196 1371199603 /nfs/dbraw/zinc/19/96/03/1371199603.db2.gz MROWWBWREOBMKR-IBGZPJMESA-N 2 0 327.516 3.498 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206952283 1371243033 /nfs/dbraw/zinc/24/30/33/1371243033.db2.gz IAKHIQNKIDNIFB-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC001207066782 1371284684 /nfs/dbraw/zinc/28/46/84/1371284684.db2.gz JIUWFZKSQMJYQL-INIZCTEOSA-N 2 0 339.886 3.379 20 0 EGADRP Cc1cnc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001207074620 1371286855 /nfs/dbraw/zinc/28/68/55/1371286855.db2.gz CFFRYHLJVIZQKL-LJQANCHMSA-N 2 0 340.471 3.255 20 0 EGADRP Cc1cnc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001207082132 1371289015 /nfs/dbraw/zinc/28/90/15/1371289015.db2.gz GIYZQUJGPQOUIL-VQTJNVASSA-N 2 0 336.483 3.129 20 0 EGADRP F[C@H]1CSC2(C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207292720 1371352507 /nfs/dbraw/zinc/35/25/07/1371352507.db2.gz XELXOMACEHWBBR-GOSISDBHSA-N 2 0 334.504 3.428 20 0 EGADRP c1ccc(C[NH+]2CCC(CN3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC001207291845 1371353120 /nfs/dbraw/zinc/35/31/20/1371353120.db2.gz ZIQKWSJDXTXISF-UHFFFAOYSA-N 2 0 341.543 3.459 20 0 EGADRP COC(=O)C[C@@H]1CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292115 1371353149 /nfs/dbraw/zinc/35/31/49/1371353149.db2.gz JZMHWHBCQMSFFN-FQEVSTJZSA-N 2 0 344.499 3.174 20 0 EGADRP CCC[NH+]1C[C@H]2C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001207293791 1371353927 /nfs/dbraw/zinc/35/39/27/1371353927.db2.gz LJMXXKWVLLDJJB-VXKWHMMOSA-N 3 0 341.543 3.172 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207314184 1371358062 /nfs/dbraw/zinc/35/80/62/1371358062.db2.gz UJLGRXBCSVCIGZ-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001207482237 1371409577 /nfs/dbraw/zinc/40/95/77/1371409577.db2.gz LKUATJNWPYIPNP-CTNGQTDRSA-N 2 0 343.515 3.294 20 0 EGADRP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207488373 1371411567 /nfs/dbraw/zinc/41/15/67/1371411567.db2.gz JXZXYDPARCERGI-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP COC(=O)c1ccc([C@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)cc1 ZINC001207488381 1371411688 /nfs/dbraw/zinc/41/16/88/1371411688.db2.gz JZVDDCPKAUHZSE-LJQANCHMSA-N 2 0 330.472 3.342 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001207493976 1371412768 /nfs/dbraw/zinc/41/27/68/1371412768.db2.gz UVNLBRCLIQZVNS-QGZVFWFLSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551159 1371432245 /nfs/dbraw/zinc/43/22/45/1371432245.db2.gz WDKWAWBJZDOOSC-AHRSYUTCSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010702 1371454112 /nfs/dbraw/zinc/45/41/12/1371454112.db2.gz VBYOHSQNUGDPRP-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CCCCC2)C1 ZINC001120129838 1371492195 /nfs/dbraw/zinc/49/21/95/1371492195.db2.gz OSELZCXWCIXIGZ-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120159098 1371496726 /nfs/dbraw/zinc/49/67/26/1371496726.db2.gz ONYYWMKSNFDIAY-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3(C)COC3)C[C@@H]21 ZINC001207796622 1371506910 /nfs/dbraw/zinc/50/69/10/1371506910.db2.gz YUNKHLDMLBMVQZ-BPQIPLTHSA-N 2 0 334.529 3.317 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799749 1371508064 /nfs/dbraw/zinc/50/80/64/1371508064.db2.gz IWSJRCYXIPWWOJ-FBYXPACISA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422007 1371568911 /nfs/dbraw/zinc/56/89/11/1371568911.db2.gz HSWRJEUTCFMWTJ-SBUVDCAVSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120422310 1371569697 /nfs/dbraw/zinc/56/96/97/1371569697.db2.gz LHWFSCZYUUSBMZ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431720 1371575529 /nfs/dbraw/zinc/57/55/29/1371575529.db2.gz WAPRNQUCJTWHKJ-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120449730 1371581724 /nfs/dbraw/zinc/58/17/24/1371581724.db2.gz PKHLJRKBHIHARL-WOJBJXKFSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208108051 1371597101 /nfs/dbraw/zinc/59/71/01/1371597101.db2.gz OMRODHBBUFNOJB-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP CCOC(=O)CC[N@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208110887 1371597807 /nfs/dbraw/zinc/59/78/07/1371597807.db2.gz WZZCDIOODSBTNJ-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001120583098 1371624543 /nfs/dbraw/zinc/62/45/43/1371624543.db2.gz NJADFQXBUWQGBQ-CYBMUJFWSA-N 2 0 339.430 3.003 20 0 EGADRP C[NH+](C)CC1(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CCCC1 ZINC001208187993 1371626969 /nfs/dbraw/zinc/62/69/69/1371626969.db2.gz DVVPPUGMPWMDNV-KDURUIRLSA-N 2 0 327.516 3.177 20 0 EGADRP CC/C=C\CCCCC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001208193636 1371632538 /nfs/dbraw/zinc/63/25/38/1371632538.db2.gz CCHBUUYMKUFIPB-ARJAWSKDSA-N 2 0 335.536 3.175 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331875 1371721444 /nfs/dbraw/zinc/72/14/44/1371721444.db2.gz XUOGBEBGNGIURI-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460215 1371775478 /nfs/dbraw/zinc/77/54/78/1371775478.db2.gz QFLUYBWYKQMBRR-SJORKVTESA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208474736 1371781228 /nfs/dbraw/zinc/78/12/28/1371781228.db2.gz OXNITVMSEHHNHP-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475360 1371781887 /nfs/dbraw/zinc/78/18/87/1371781887.db2.gz TVHNREVCOVSPHG-KJYWSYJISA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475856 1371782191 /nfs/dbraw/zinc/78/21/91/1371782191.db2.gz ZWEPPPYOYKFVTE-WYNBNGFRSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001208491524 1371786448 /nfs/dbraw/zinc/78/64/48/1371786448.db2.gz KQEKEAZLXPLDHL-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1C)[NH+](CC)CC ZINC001208571286 1371822612 /nfs/dbraw/zinc/82/26/12/1371822612.db2.gz KNGGCEKATLXNSI-MISYRCLQSA-N 2 0 345.531 3.052 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)CC1 ZINC001208596186 1371834715 /nfs/dbraw/zinc/83/47/15/1371834715.db2.gz FFJRFDJPSBHZMG-RCCFBDPRSA-N 2 0 349.544 3.335 20 0 EGADRP CCOC(=O)c1cc2c(s1)CC[N@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208597970 1371834851 /nfs/dbraw/zinc/83/48/51/1371834851.db2.gz OKHUMUZSRZHTOB-UHFFFAOYSA-N 2 0 336.501 3.015 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602342 1371836066 /nfs/dbraw/zinc/83/60/66/1371836066.db2.gz CJUWNWYEHCQHDV-FCHUYYIVSA-N 3 0 341.543 3.172 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)CC1 ZINC001208603004 1371837139 /nfs/dbraw/zinc/83/71/39/1371837139.db2.gz REEIWXKTEOQCOY-IBGZPJMESA-N 2 0 336.520 3.164 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC001208606757 1371838398 /nfs/dbraw/zinc/83/83/98/1371838398.db2.gz HFDCNNIIBDCUSO-CQSZACIVSA-N 2 0 331.435 3.488 20 0 EGADRP C[N@H+](Cc1ccccc1F)C1CCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208615783 1371841370 /nfs/dbraw/zinc/84/13/70/1371841370.db2.gz HVBJIWOWNDLEAV-KRWDZBQOSA-N 2 0 333.495 3.064 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208718077 1371872782 /nfs/dbraw/zinc/87/27/82/1371872782.db2.gz NQECGWIGMAICGB-PKOBYXMFSA-N 2 0 345.531 3.031 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@@H]([NH2+]CC3CCCCC3)C2)CCCC1 ZINC001208771345 1371891043 /nfs/dbraw/zinc/89/10/43/1371891043.db2.gz ZJRUEJATUGMIPF-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3(C)CCCCC3)CC2)C1 ZINC001208902055 1371938558 /nfs/dbraw/zinc/93/85/58/1371938558.db2.gz GHVGILMIYQVUMM-QGZVFWFLSA-N 2 0 336.520 3.306 20 0 EGADRP FC1CC[NH+](C2CN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208938586 1371954851 /nfs/dbraw/zinc/95/48/51/1371954851.db2.gz CBBRTZICGJBLPW-LJQANCHMSA-N 2 0 345.506 3.017 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]([NH3+])C1CCCCC1)c1ccccc1 ZINC001326371995 1388169621 /nfs/dbraw/zinc/16/96/21/1388169621.db2.gz VGFWAGHRPQWHSA-CRAIPNDOSA-N 2 0 331.504 3.140 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948173 1371958311 /nfs/dbraw/zinc/95/83/11/1371958311.db2.gz FLNGYEKXPCIKAE-FPOVZHCZSA-N 2 0 337.467 3.057 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948178 1371958475 /nfs/dbraw/zinc/95/84/75/1371958475.db2.gz FLNGYEKXPCIKAE-TZIWHRDSSA-N 2 0 337.467 3.057 20 0 EGADRP CC(C)[N@H+](C)[C@H]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946334 1371958515 /nfs/dbraw/zinc/95/85/15/1371958515.db2.gz UVTPMKFGXHIVPV-RTWAWAEBSA-N 2 0 329.532 3.313 20 0 EGADRP Cc1ccnn1C1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208957911 1371962357 /nfs/dbraw/zinc/96/23/57/1371962357.db2.gz MRVCKQUMYHDLAD-HXUWFJFHSA-N 2 0 338.499 3.351 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628147 1372030149 /nfs/dbraw/zinc/03/01/49/1372030149.db2.gz CSRZHFJHPVBYJP-YQTQZHKRSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223703 1372042035 /nfs/dbraw/zinc/04/20/35/1372042035.db2.gz UEGLRIKXAKLCMZ-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223706 1372042262 /nfs/dbraw/zinc/04/22/62/1372042262.db2.gz UEGLRIKXAKLCMZ-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2)[NH+](C)C ZINC001121707093 1372053351 /nfs/dbraw/zinc/05/33/51/1372053351.db2.gz BGVQYUKPWITYBP-MBEFBZSESA-N 2 0 349.563 3.170 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001209323485 1372069712 /nfs/dbraw/zinc/06/97/12/1372069712.db2.gz ITKKTYFPYFTHAC-KUMUZEIWSA-N 2 0 343.515 3.012 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857892 1388179000 /nfs/dbraw/zinc/17/90/00/1388179000.db2.gz UQFZGXSPECLOKO-AHYCVCGYSA-N 2 0 347.547 3.138 20 0 EGADRP COC(=O)C[C@@H](C)[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209452136 1372109655 /nfs/dbraw/zinc/10/96/55/1372109655.db2.gz FEWRBWWUADNWFP-GOSISDBHSA-N 2 0 332.488 3.316 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)C(C)C ZINC001121924159 1372124402 /nfs/dbraw/zinc/12/44/02/1372124402.db2.gz OQCPRPDBQPWSIJ-MBEFBZSESA-N 2 0 349.563 3.170 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001121953109 1372132428 /nfs/dbraw/zinc/13/24/28/1372132428.db2.gz ALHJSIFILSBLCA-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP c1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001209554113 1372135576 /nfs/dbraw/zinc/13/55/76/1372135576.db2.gz WOFNUIKECSHMGX-MSOLQXFVSA-N 2 0 327.497 3.487 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001121995304 1372148235 /nfs/dbraw/zinc/14/82/35/1372148235.db2.gz RHQOVXPKMSDSFT-UHFFFAOYSA-N 2 0 349.563 3.170 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122064307 1372166583 /nfs/dbraw/zinc/16/65/83/1372166583.db2.gz XZVUVGMZCOKUSP-SGPNKGFISA-N 2 0 349.563 3.314 20 0 EGADRP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c2cccnc21 ZINC001209749498 1372183601 /nfs/dbraw/zinc/18/36/01/1372183601.db2.gz ZWKOSNIDYGKLHN-RTBURBONSA-N 2 0 346.478 3.137 20 0 EGADRP C[NH+](C)C1(C)CCC(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC001122139841 1372185604 /nfs/dbraw/zinc/18/56/04/1372185604.db2.gz FNAUJOGGGXZXHV-MPQSDHOMSA-N 2 0 343.515 3.058 20 0 EGADRP COc1ccc2oc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1 ZINC001209772453 1372190740 /nfs/dbraw/zinc/19/07/40/1372190740.db2.gz PQRXUNFVSFCKAI-UHFFFAOYSA-N 2 0 347.503 3.147 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001122231367 1372206780 /nfs/dbraw/zinc/20/67/80/1372206780.db2.gz IRUNMZNBOLLJSU-ABJVKXSMSA-N 2 0 349.563 3.312 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001209939811 1372237507 /nfs/dbraw/zinc/23/75/07/1372237507.db2.gz ITZLAOWPOZDVCP-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP [NH3+]CCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)cc2)CC1 ZINC001209976228 1372246562 /nfs/dbraw/zinc/24/65/62/1372246562.db2.gz JSJODXPCYSJROK-UHFFFAOYSA-N 2 0 329.875 3.083 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001210235885 1372301351 /nfs/dbraw/zinc/30/13/51/1372301351.db2.gz GOMWKYZFXWXUDR-RTBURBONSA-N 2 0 337.552 3.291 20 0 EGADRP Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1Br ZINC001210268504 1372311062 /nfs/dbraw/zinc/31/10/62/1372311062.db2.gz CGIGZBZHCIWCCP-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP c1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc(-c2ccncc2)c1 ZINC001210269672 1372311431 /nfs/dbraw/zinc/31/14/31/1372311431.db2.gz ZZJQICRRJXHWTC-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210751447 1372419293 /nfs/dbraw/zinc/41/92/93/1372419293.db2.gz YNPJIXXCAXVDDZ-VUBAQRPUSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001210789056 1372426785 /nfs/dbraw/zinc/42/67/85/1372426785.db2.gz MHNAGBLSFCYGQD-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210811740 1372431304 /nfs/dbraw/zinc/43/13/04/1372431304.db2.gz QIMMWBLQQDCOMB-RBUKOAKNSA-N 2 0 345.531 3.287 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)sc2C1 ZINC001326463631 1388200012 /nfs/dbraw/zinc/20/00/12/1388200012.db2.gz FRKYRSZBWZZKSE-WTTBNOFXSA-N 2 0 349.544 3.129 20 0 EGADRP C[NH2+]Cc1cccc(Nc2c(F)cccc2N2CC[NH+](C)CC2)c1 ZINC001211141302 1372489815 /nfs/dbraw/zinc/48/98/15/1372489815.db2.gz WQFCYAUPOQGIER-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211262690 1372515369 /nfs/dbraw/zinc/51/53/69/1372515369.db2.gz WHIZIDPJGUCZTG-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211300046 1372524561 /nfs/dbraw/zinc/52/45/61/1372524561.db2.gz IPQCDONGAUOFMY-WSTZPKSXSA-N 2 0 343.515 3.060 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211664113 1372599101 /nfs/dbraw/zinc/59/91/01/1372599101.db2.gz ORABLKDAMIRKRJ-VQTJNVASSA-N 2 0 345.531 3.103 20 0 EGADRP COc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c2ccccc12 ZINC001212337744 1372690636 /nfs/dbraw/zinc/69/06/36/1372690636.db2.gz CIOJJYXCKZZPGF-IBGZPJMESA-N 2 0 340.427 3.201 20 0 EGADRP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cc(C)cc(C)[nH+]1 ZINC001213537202 1372922244 /nfs/dbraw/zinc/92/22/44/1372922244.db2.gz WTVVHUOUACPQKB-UHFFFAOYSA-N 2 0 326.444 3.202 20 0 EGADRP COc1ccc(C)c(F)c1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001214627245 1373091511 /nfs/dbraw/zinc/09/15/11/1373091511.db2.gz KPZYNSJBHZNCLI-UHFFFAOYSA-N 2 0 330.407 3.033 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780425 1373118120 /nfs/dbraw/zinc/11/81/20/1373118120.db2.gz ZQMTUGQJFGSVIB-MOZIWPGPSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001188118301 1388244511 /nfs/dbraw/zinc/24/45/11/1388244511.db2.gz SMOSKXFSAATBGJ-OVKVCFKUSA-N 2 0 343.515 3.299 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153376 1373179835 /nfs/dbraw/zinc/17/98/35/1373179835.db2.gz PONJFJZHBWJXIM-FOVLHFFESA-N 2 0 340.471 3.131 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)c1ccccc1 ZINC001215568977 1373213646 /nfs/dbraw/zinc/21/36/46/1373213646.db2.gz UCYXYQPVJMPYSZ-ZHALLVOQSA-N 2 0 345.531 3.162 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3cccc(C[NH2+]C)c3F)cc2)CC1 ZINC001216222697 1373284854 /nfs/dbraw/zinc/28/48/54/1373284854.db2.gz RJCZPVLKVHKGNF-UHFFFAOYSA-N 2 0 342.462 3.431 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844448 1373350195 /nfs/dbraw/zinc/35/01/95/1373350195.db2.gz BYFICKGLSRARTA-WUYYXPQKSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001129839482 1373427999 /nfs/dbraw/zinc/42/79/99/1373427999.db2.gz ALNBLAGQPFNEOG-FXAWDEMLSA-N 2 0 345.531 3.451 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1cccc2ccccc21 ZINC001130305802 1373488281 /nfs/dbraw/zinc/48/82/81/1373488281.db2.gz LRCUOPUPZDAIIE-OXJNMPFZSA-N 2 0 339.483 3.091 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001130304107 1373488570 /nfs/dbraw/zinc/48/85/70/1373488570.db2.gz UIPINCHCVCNDEP-DAWZGUTISA-N 2 0 337.552 3.029 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217704109 1373490413 /nfs/dbraw/zinc/49/04/13/1373490413.db2.gz SNMLWXQLSVUUOT-KKUMJFAQSA-N 2 0 334.851 3.384 20 0 EGADRP CCCCOc1ccc(-c2nnc([C@H](CCCC[NH3+])[NH2+]C)o2)cc1 ZINC001217703411 1373491132 /nfs/dbraw/zinc/49/11/32/1373491132.db2.gz ULJKTRJVFPOXPU-INIZCTEOSA-N 2 0 332.448 3.305 20 0 EGADRP c1cnc2c(O[C@@H]3CCC[NH2+]C3)ccc(C[NH+]3CCCCC3)c2c1 ZINC001217962539 1373521177 /nfs/dbraw/zinc/52/11/77/1373521177.db2.gz XZTFEMWVJNKBFV-QGZVFWFLSA-N 2 0 325.456 3.352 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CC[C@@]45CC[NH2+]C5)cc32)CC1 ZINC001218120139 1373565023 /nfs/dbraw/zinc/56/50/23/1373565023.db2.gz UBZSJAKPCNGRKC-RTWAWAEBSA-N 2 0 339.483 3.498 20 0 EGADRP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2C=CC[NH2+]C2)cc13 ZINC001218333251 1373599078 /nfs/dbraw/zinc/59/90/78/1373599078.db2.gz DAQLQZLDHLLHMI-UGESXGAOSA-N 2 0 338.495 3.282 20 0 EGADRP Clc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001218410587 1373609618 /nfs/dbraw/zinc/60/96/18/1373609618.db2.gz FWYCAUIUGIUYSS-INIZCTEOSA-N 2 0 343.858 3.034 20 0 EGADRP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC001218996615 1373676890 /nfs/dbraw/zinc/67/68/90/1373676890.db2.gz LBLKOQOFFJKXLM-JBACZVJFSA-N 2 0 349.478 3.095 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)C1CC2(C[NH2+]C2)C1)C1CCCCC1 ZINC001219023464 1373680490 /nfs/dbraw/zinc/68/04/90/1373680490.db2.gz DSSGIDPWUMCYMG-UHFFFAOYSA-N 2 0 341.499 3.389 20 0 EGADRP [NH3+][C@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccc2ccccc2c1 ZINC001219954713 1373741418 /nfs/dbraw/zinc/74/14/18/1373741418.db2.gz OPAGVJFGDZACIM-FQEVSTJZSA-N 2 0 339.483 3.268 20 0 EGADRP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091663 1373816458 /nfs/dbraw/zinc/81/64/58/1373816458.db2.gz ZJJKMQMRUJCVNJ-UHFFFAOYSA-N 2 0 335.451 3.113 20 0 EGADRP COC(=O)Cc1cccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222172765 1373819080 /nfs/dbraw/zinc/81/90/80/1373819080.db2.gz NWDRZQWRVIFHRB-NRFANRHFSA-N 2 0 344.499 3.148 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)cc1 ZINC001131840465 1373832683 /nfs/dbraw/zinc/83/26/83/1373832683.db2.gz LHBXGMAGGWIUFM-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222400693 1373837590 /nfs/dbraw/zinc/83/75/90/1373837590.db2.gz DJXCYZNEKNAOBW-UHFFFAOYSA-N 2 0 332.488 3.068 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001188346395 1388294468 /nfs/dbraw/zinc/29/44/68/1388294468.db2.gz MNYDHILGGIYVMI-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001326760145 1388301738 /nfs/dbraw/zinc/30/17/38/1388301738.db2.gz GUXPSLNAUXPYKN-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OCCC[NH+]2CCCC2)cc1 ZINC001224744825 1375073387 /nfs/dbraw/zinc/07/33/87/1375073387.db2.gz QJAZTVVTHIUZLT-AERCQKQUSA-N 2 0 328.500 3.400 20 0 EGADRP C[N@@H+]1CCC[C@@H](OC[C@@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152636 1375096666 /nfs/dbraw/zinc/09/66/66/1375096666.db2.gz XMLWLQFEGFUIRH-TZIWHRDSSA-N 2 0 346.515 3.167 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001225245710 1375099106 /nfs/dbraw/zinc/09/91/06/1375099106.db2.gz WHXXTUUHRBXFBH-SFHVURJKSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001225244081 1375099312 /nfs/dbraw/zinc/09/93/12/1375099312.db2.gz GCTIUCWSYVANEX-FPLPWBNLSA-N 2 0 337.552 3.293 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001225244065 1375099391 /nfs/dbraw/zinc/09/93/91/1375099391.db2.gz FJMXCJWFBGQGJU-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132041382 1375113021 /nfs/dbraw/zinc/11/30/21/1375113021.db2.gz CXNRIKTXCUSYHU-ZWKOTPCHSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C[N@@H+]1CCCC(C)(C)C ZINC001132090333 1375139934 /nfs/dbraw/zinc/13/99/34/1375139934.db2.gz GNCVXDJGRAOBCF-DOTOQJQBSA-N 2 0 334.508 3.138 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132140417 1375167703 /nfs/dbraw/zinc/16/77/03/1375167703.db2.gz IHZWQPOOVKJPSW-NVXWUHKLSA-N 2 0 342.487 3.416 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132154164 1375173892 /nfs/dbraw/zinc/17/38/92/1375173892.db2.gz XMXXRXQKLNHESL-CVEARBPZSA-N 2 0 325.541 3.122 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211054 1375211755 /nfs/dbraw/zinc/21/17/55/1375211755.db2.gz LMKKBKPCRCPKGX-ZWKOTPCHSA-N 2 0 335.536 3.186 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265577 1375254291 /nfs/dbraw/zinc/25/42/91/1375254291.db2.gz PAZBNXXRWRRUTN-LJJUJYJISA-N 2 0 335.536 3.044 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1C ZINC001132269193 1375257269 /nfs/dbraw/zinc/25/72/69/1375257269.db2.gz GPZKDCCQCLWEFY-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132273147 1375258715 /nfs/dbraw/zinc/25/87/15/1375258715.db2.gz DLKSZKJRGNWTPR-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226555160 1375281851 /nfs/dbraw/zinc/28/18/51/1375281851.db2.gz XLPNEELVRYMLIU-AMGLGWGCSA-N 2 0 341.515 3.040 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226782437 1375332624 /nfs/dbraw/zinc/33/26/24/1375332624.db2.gz NBRKWBDHQWXNOL-KZNAEPCWSA-N 2 0 337.552 3.170 20 0 EGADRP CCc1ccccc1C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410832 1375359399 /nfs/dbraw/zinc/35/93/99/1375359399.db2.gz OWVIZDGYFZOTIH-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001132416898 1375365301 /nfs/dbraw/zinc/36/53/01/1375365301.db2.gz ODLQPARSUYQBSB-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132434561 1375379880 /nfs/dbraw/zinc/37/98/80/1375379880.db2.gz YJUXQEGTWKDLKK-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132493173 1375423594 /nfs/dbraw/zinc/42/35/94/1375423594.db2.gz JXEVWXCCGBQKQP-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001132517409 1375435657 /nfs/dbraw/zinc/43/56/57/1375435657.db2.gz CATLTMLDJKBTAV-UYAOXDASSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001132517499 1375435843 /nfs/dbraw/zinc/43/58/43/1375435843.db2.gz DCQXYTHFFOJXOO-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccc(C)c(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517417 1375435995 /nfs/dbraw/zinc/43/59/95/1375435995.db2.gz CBYNOUQYUZMERV-UYAOXDASSA-N 2 0 345.531 3.113 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132517770 1375436050 /nfs/dbraw/zinc/43/60/50/1375436050.db2.gz GIVFKOURAQEHMK-HKUYNNGSSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132518870 1375437686 /nfs/dbraw/zinc/43/76/86/1375437686.db2.gz PMPMDNOQRWHHMY-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001132524442 1375440581 /nfs/dbraw/zinc/44/05/81/1375440581.db2.gz GZDNCHVNDVJCRG-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC001132524364 1375440655 /nfs/dbraw/zinc/44/06/55/1375440655.db2.gz GJKBHIAHTMYHLX-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525900 1375441739 /nfs/dbraw/zinc/44/17/39/1375441739.db2.gz WPYRVWMJQGAESY-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227791321 1375474821 /nfs/dbraw/zinc/47/48/21/1375474821.db2.gz BSYXGWJUMOVEPH-IBGZPJMESA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790526 1375565745 /nfs/dbraw/zinc/56/57/45/1375565745.db2.gz HLCLXIHGXPFTEV-PXPVJAHISA-N 2 0 335.536 3.236 20 0 EGADRP CC1CCC(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001132791139 1375567237 /nfs/dbraw/zinc/56/72/37/1375567237.db2.gz SLBHHFVIYRRFFA-QLOJAFMTSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(NCC[NH2+]CCC1=CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794795 1375568471 /nfs/dbraw/zinc/56/84/71/1375568471.db2.gz GNLLTNIBXMBFOE-FQEVSTJZSA-N 2 0 347.547 3.380 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001132794673 1375568484 /nfs/dbraw/zinc/56/84/84/1375568484.db2.gz FFFAUUDIYFZASN-PXNSSMCTSA-N 2 0 343.515 3.251 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001228440052 1375572670 /nfs/dbraw/zinc/57/26/70/1375572670.db2.gz BFIHXLPUJWQZBA-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)CC(C)(C)C ZINC001228624037 1375619771 /nfs/dbraw/zinc/61/97/71/1375619771.db2.gz RAQCGZFYEUCHMH-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228623455 1375620142 /nfs/dbraw/zinc/62/01/42/1375620142.db2.gz BHJWHUMZVTXQNU-GVDBMIGSSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001132950350 1375667002 /nfs/dbraw/zinc/66/70/02/1375667002.db2.gz MFNLSULLZBMTEZ-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132955244 1375670874 /nfs/dbraw/zinc/67/08/74/1375670874.db2.gz RBJRJLRZZFRBPF-WMZOPIPTSA-N 2 0 342.487 3.212 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973989 1375688517 /nfs/dbraw/zinc/68/85/17/1375688517.db2.gz URNYBKIMKHVFCE-WMZOPIPTSA-N 2 0 342.487 3.068 20 0 EGADRP C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001133011121 1375709595 /nfs/dbraw/zinc/70/95/95/1375709595.db2.gz FPGLVNSVVLUMMT-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133011834 1375709760 /nfs/dbraw/zinc/70/97/60/1375709760.db2.gz NFGJHYNRPVXIAA-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C)C(C)C ZINC001229194982 1375785287 /nfs/dbraw/zinc/78/52/87/1375785287.db2.gz VBPVRSLTRPTKSC-GUDVDZBRSA-N 2 0 339.568 3.416 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)C(C)C ZINC001229194070 1375785336 /nfs/dbraw/zinc/78/53/36/1375785336.db2.gz ITRNKIGWFXKMDB-KUMVGKSDSA-N 2 0 343.943 3.122 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001133185657 1375829668 /nfs/dbraw/zinc/82/96/68/1375829668.db2.gz GYSNPMGQKDIAEV-RBUKOAKNSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229462315 1375840021 /nfs/dbraw/zinc/84/00/21/1375840021.db2.gz KYPHFKMZLBNIHK-LJQANCHMSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1F ZINC001229495621 1375846662 /nfs/dbraw/zinc/84/66/62/1375846662.db2.gz HNXMKXKUMDGXDB-KFKAGJAMSA-N 2 0 349.494 3.246 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC001229655255 1375872427 /nfs/dbraw/zinc/87/24/27/1375872427.db2.gz DRXWLUWPGDJGCK-FQEVSTJZSA-N 2 0 345.531 3.134 20 0 EGADRP CCC(=O)C1(c2cccc(OC3CC[NH+](C)CC3)c2)CC[NH+](C)CC1 ZINC001229733457 1375882798 /nfs/dbraw/zinc/88/27/98/1375882798.db2.gz LSUXFPZNLCYMLY-UHFFFAOYSA-N 2 0 344.499 3.102 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001229807564 1375896446 /nfs/dbraw/zinc/89/64/46/1375896446.db2.gz FRZZSGWIQMRCQO-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001133309497 1375914062 /nfs/dbraw/zinc/91/40/62/1375914062.db2.gz DOEGLQXIDZUFBX-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133337157 1375930563 /nfs/dbraw/zinc/93/05/63/1375930563.db2.gz JLFSHYGFGWEZHX-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H](F)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230017475 1375931402 /nfs/dbraw/zinc/93/14/02/1375931402.db2.gz WVFQODXRYLNBGW-PKOBYXMFSA-N 2 0 349.494 3.008 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001230035480 1375934283 /nfs/dbraw/zinc/93/42/83/1375934283.db2.gz WFFSWAHOJQCIKC-ZMGAVLDPSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCC2CCCCCC2)CC1 ZINC001230112909 1375946379 /nfs/dbraw/zinc/94/63/79/1375946379.db2.gz GQWMPRGFNYVWEP-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001230274980 1375981218 /nfs/dbraw/zinc/98/12/18/1375981218.db2.gz XDQNHWXJCHLCDL-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)[NH+](C)C ZINC001133399198 1375984425 /nfs/dbraw/zinc/98/44/25/1375984425.db2.gz HOHYHYSWHJQIGK-QGZVFWFLSA-N 2 0 339.911 3.008 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001230285168 1375985106 /nfs/dbraw/zinc/98/51/06/1375985106.db2.gz QBKXUWDAXCWQEE-UHFFFAOYSA-N 2 0 347.547 3.334 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230506692 1376044623 /nfs/dbraw/zinc/04/46/23/1376044623.db2.gz BTEADRPXYRSHBU-KUHUBIRLSA-N 2 0 336.439 3.435 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230516775 1376049008 /nfs/dbraw/zinc/04/90/08/1376049008.db2.gz UJGKJLNRNRHXLM-IFXJQAMLSA-N 2 0 336.439 3.435 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1)[NH+](CC)CC ZINC001133685607 1376153953 /nfs/dbraw/zinc/15/39/53/1376153953.db2.gz XLXOOZTYKXURNH-LJQANCHMSA-N 2 0 333.520 3.136 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001133823697 1376219178 /nfs/dbraw/zinc/21/91/78/1376219178.db2.gz MJZWADLDNCVVJQ-KRWDZBQOSA-N 2 0 343.515 3.034 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001327187102 1388429346 /nfs/dbraw/zinc/42/93/46/1388429346.db2.gz AQEBHHUHUBNYNQ-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc2cc[nH]c2cn1 ZINC001231669992 1376300212 /nfs/dbraw/zinc/30/02/12/1376300212.db2.gz SWEOYHRSKCJGNB-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(OC(F)(F)C(F)F)cc1)C2 ZINC001231827264 1376324170 /nfs/dbraw/zinc/32/41/70/1376324170.db2.gz PUUCPDUQQQCSIP-CZUORRHYSA-N 2 0 346.368 3.307 20 0 EGADRP Cc1cc(F)ncc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001231983711 1376371653 /nfs/dbraw/zinc/37/16/53/1376371653.db2.gz BIFGEIRGIBTEKD-SFHVURJKSA-N 2 0 327.447 3.483 20 0 EGADRP CC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232016207 1376385071 /nfs/dbraw/zinc/38/50/71/1376385071.db2.gz UUJJSNLASHKEQU-INIZCTEOSA-N 2 0 344.459 3.394 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018891 1376386809 /nfs/dbraw/zinc/38/68/09/1376386809.db2.gz PRIUNBBQJIYARJ-OCCSQVGLSA-N 2 0 330.432 3.050 20 0 EGADRP Cc1nc(N)ccc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001232342962 1376445168 /nfs/dbraw/zinc/44/51/68/1376445168.db2.gz SHPDMNBQAAOYQP-UHFFFAOYSA-N 2 0 336.483 3.070 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607873 1376622223 /nfs/dbraw/zinc/62/22/23/1376622223.db2.gz MZAYFQITROKOGW-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728655 1376680929 /nfs/dbraw/zinc/68/09/29/1376680929.db2.gz BDSIHVZEUNRNCW-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)[NH+]1CCCCCC1 ZINC001134757924 1376703887 /nfs/dbraw/zinc/70/38/87/1376703887.db2.gz UFSWZHBTAYFUFE-IVGFIOLJSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001134766204 1376709300 /nfs/dbraw/zinc/70/93/00/1376709300.db2.gz DXFIYDBOYPGNOY-MOPGFXCFSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784287 1376718582 /nfs/dbraw/zinc/71/85/82/1376718582.db2.gz SCGUBJCNDCAICB-MSOLQXFVSA-N 2 0 348.535 3.217 20 0 EGADRP CC(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790934 1376723716 /nfs/dbraw/zinc/72/37/16/1376723716.db2.gz LHEMUWYAOOECRZ-CVEARBPZSA-N 2 0 325.541 3.168 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134822581 1376742679 /nfs/dbraw/zinc/74/26/79/1376742679.db2.gz YLBPSKYBFRZJPB-CABCVRRESA-N 2 0 330.476 3.319 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234216371 1376788199 /nfs/dbraw/zinc/78/81/99/1376788199.db2.gz WMTHWBCSYAOCMB-ZSQQTYLHSA-N 2 0 335.536 3.138 20 0 EGADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](CC[C@@H](C)SC)CC2 ZINC001235018290 1376826977 /nfs/dbraw/zinc/82/69/77/1376826977.db2.gz HKBQSJBOZHSDHP-OAHLLOKOSA-N 2 0 334.529 3.274 20 0 EGADRP Brc1ccc2c(C[NH+]3CCC(C4C[NH2+]C4)CC3)c[nH]c2c1 ZINC001235338231 1376869278 /nfs/dbraw/zinc/86/92/78/1376869278.db2.gz DVYMLQHTXJIACV-UHFFFAOYSA-N 2 0 348.288 3.362 20 0 EGADRP c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429172 1376871090 /nfs/dbraw/zinc/87/10/90/1376871090.db2.gz PVCRXVWNOVUHFO-MOPGFXCFSA-N 2 0 327.516 3.498 20 0 EGADRP Clc1cccn2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC001235431294 1376871907 /nfs/dbraw/zinc/87/19/07/1376871907.db2.gz ZHEHUHVFMHAGID-HUUCEWRRSA-N 2 0 332.879 3.199 20 0 EGADRP c1ccc([C@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001235665499 1376882462 /nfs/dbraw/zinc/88/24/62/1376882462.db2.gz OENPTYMWFNYGLF-FQEVSTJZSA-N 2 0 335.495 3.476 20 0 EGADRP c1cc(N2CCCCC2)ncc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702385 1376883931 /nfs/dbraw/zinc/88/39/31/1376883931.db2.gz UDXOLQCFLUJGRI-UHFFFAOYSA-N 2 0 342.531 3.284 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101949 1376899553 /nfs/dbraw/zinc/89/95/53/1376899553.db2.gz UNFXUBVHYIGGCO-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP Fc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001236007379 1376925454 /nfs/dbraw/zinc/92/54/54/1376925454.db2.gz AAAPSZRSADZRFM-KRWDZBQOSA-N 2 0 327.447 3.185 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180435 1376953822 /nfs/dbraw/zinc/95/38/22/1376953822.db2.gz HITDCRITHRMRCJ-DLBZAZTESA-N 2 0 325.541 3.314 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180436 1376953888 /nfs/dbraw/zinc/95/38/88/1376953888.db2.gz HITDCRITHRMRCJ-IAGOWNOFSA-N 2 0 325.541 3.314 20 0 EGADRP Nc1ccc2c(c1)[nH]nc2C[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700571 1376962603 /nfs/dbraw/zinc/96/26/03/1376962603.db2.gz LBTIZTZYRXTNLR-SAABIXHNSA-N 2 0 349.482 3.417 20 0 EGADRP C[C@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)CC[N@@H+]1C1CCCCC1 ZINC001237249031 1376977517 /nfs/dbraw/zinc/97/75/17/1376977517.db2.gz MZGTYSSISYQHHW-KRWDZBQOSA-N 2 0 327.516 3.171 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299765 1377026800 /nfs/dbraw/zinc/02/68/00/1377026800.db2.gz ZSNMCUVGXWNHQE-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001135315116 1377033760 /nfs/dbraw/zinc/03/37/60/1377033760.db2.gz LRRGJZSXDOIPKM-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP c1ccc(C[C@@H](CN2CCCC2)[NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246297482 1377050844 /nfs/dbraw/zinc/05/08/44/1377050844.db2.gz GMXUJFJSGVACAT-BHIFYINESA-N 2 0 341.543 3.205 20 0 EGADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545625 1377052318 /nfs/dbraw/zinc/05/23/18/1377052318.db2.gz WHTCKNZBRCMCJP-YVEFUNNKSA-N 2 0 346.849 3.115 20 0 EGADRP CC[C@@H]1C[C@H](N2CC[C@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542651 1377052402 /nfs/dbraw/zinc/05/24/02/1377052402.db2.gz WPFCHHZHVJBBKJ-JJXSEGSLSA-N 2 0 326.481 3.322 20 0 EGADRP CC1(C)C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722151 1377053599 /nfs/dbraw/zinc/05/35/99/1377053599.db2.gz HOQONJRZBBIYPH-UWVAXJGDSA-N 2 0 329.488 3.093 20 0 EGADRP c1ccc([C@H]2CO[C@]3(C2)CCC[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC001246714771 1377053667 /nfs/dbraw/zinc/05/36/67/1377053667.db2.gz NFTGDGNJOFWJSP-BKUVARHGSA-N 2 0 326.484 3.308 20 0 EGADRP c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+]([C@H]2C[C@H]4CCC[C@@H](C2)[NH2+]4)C3)nc1 ZINC001246725092 1377053672 /nfs/dbraw/zinc/05/36/72/1377053672.db2.gz OGVIXKLTMSWIAS-AGRFSFNASA-N 2 0 341.499 3.236 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937395 1377055780 /nfs/dbraw/zinc/05/57/80/1377055780.db2.gz MBFZQDFDEUVBAY-ZHALLVOQSA-N 2 0 336.520 3.353 20 0 EGADRP CC(C)Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001135371449 1377059767 /nfs/dbraw/zinc/05/97/67/1377059767.db2.gz FUCMXVFRMMYWJI-ZWKOTPCHSA-N 2 0 347.547 3.210 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1cc2ccccc2s1)NC(=O)CC[NH+](C)C ZINC001135372831 1377060619 /nfs/dbraw/zinc/06/06/19/1377060619.db2.gz TUARGYKLUIOZBE-HUUCEWRRSA-N 2 0 347.528 3.226 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001135376690 1377062165 /nfs/dbraw/zinc/06/21/65/1377062165.db2.gz XQQWWMQYGTYBAV-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390215 1377069024 /nfs/dbraw/zinc/06/90/24/1377069024.db2.gz ILBVZYIWLWSBBH-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001253760439 1377099873 /nfs/dbraw/zinc/09/98/73/1377099873.db2.gz HAOCNXDHSPWTRA-DSLXNQLJSA-N 2 0 336.545 3.297 20 0 EGADRP CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001253760442 1377100118 /nfs/dbraw/zinc/10/01/18/1377100118.db2.gz HAOCNXDHSPWTRA-JCHJZTRSSA-N 2 0 336.545 3.297 20 0 EGADRP C[N@H+](Cc1ccccc1F)C1CCN([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254528933 1377106432 /nfs/dbraw/zinc/10/64/32/1377106432.db2.gz ARWJVGFSNGLEPH-IBGZPJMESA-N 2 0 333.495 3.206 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135477417 1377111664 /nfs/dbraw/zinc/11/16/64/1377111664.db2.gz VBQCVQMSYLCMIY-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CC[C@@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001256365807 1377111916 /nfs/dbraw/zinc/11/19/16/1377111916.db2.gz TVDFMUMCTDUARU-MISYRCLQSA-N 2 0 349.563 3.218 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001135511345 1377122974 /nfs/dbraw/zinc/12/29/74/1377122974.db2.gz NVFQOUVQGMTVRS-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001135513641 1377123526 /nfs/dbraw/zinc/12/35/26/1377123526.db2.gz SQCXRVJRTBBHNB-MRXNPFEDSA-N 2 0 333.520 3.093 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613259 1377161747 /nfs/dbraw/zinc/16/17/47/1377161747.db2.gz DVCYUXPZKNLVQB-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135743229 1377199119 /nfs/dbraw/zinc/19/91/19/1377199119.db2.gz HELGDBKBHACOFM-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001135744093 1377199900 /nfs/dbraw/zinc/19/99/00/1377199900.db2.gz VNRZTQOYDBXOIE-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788498 1377211477 /nfs/dbraw/zinc/21/14/77/1377211477.db2.gz GVHJBTXCAMFOMR-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135861955 1377238770 /nfs/dbraw/zinc/23/87/70/1377238770.db2.gz ZNICTYSUGMNPRD-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001135926013 1377265448 /nfs/dbraw/zinc/26/54/48/1377265448.db2.gz AQYMSQURLJTLFX-WOJBJXKFSA-N 2 0 345.531 3.090 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001135975721 1377283469 /nfs/dbraw/zinc/28/34/69/1377283469.db2.gz BCDCMRPMMHOEFP-RTBURBONSA-N 2 0 347.547 3.224 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CCCC[NH+](C)C ZINC001135974560 1377283692 /nfs/dbraw/zinc/28/36/92/1377283692.db2.gz RCCMMXRUGJTXBL-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135981068 1377286078 /nfs/dbraw/zinc/28/60/78/1377286078.db2.gz XFBQGQPKLYVQID-HUUCEWRRSA-N 2 0 347.494 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135980534 1377286465 /nfs/dbraw/zinc/28/64/65/1377286465.db2.gz PPMKDANNEWQZOO-IAGOWNOFSA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001135995412 1377291852 /nfs/dbraw/zinc/29/18/52/1377291852.db2.gz FAPNTANWPVOKMH-RBUKOAKNSA-N 2 0 347.547 3.224 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995547 1377292022 /nfs/dbraw/zinc/29/20/22/1377292022.db2.gz HRTAJGNQQMZXNV-UIVAWZFMSA-N 2 0 325.541 3.338 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001266853242 1377394883 /nfs/dbraw/zinc/39/48/83/1377394883.db2.gz IRGINUHBFIXPGC-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266858303 1377397609 /nfs/dbraw/zinc/39/76/09/1377397609.db2.gz RZBPQNGPPXDXBF-WOJBJXKFSA-N 2 0 345.531 3.052 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1cc(C)ccc1C ZINC001267823775 1377472967 /nfs/dbraw/zinc/47/29/67/1377472967.db2.gz PFCMQIPPMDDYNF-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H]([NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1)c1ccccc1 ZINC001267841590 1377473973 /nfs/dbraw/zinc/47/39/73/1377473973.db2.gz UZSFEFGWIWSFDS-OALUTQOASA-N 2 0 345.531 3.497 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C(C)C)c1 ZINC001268219393 1377496772 /nfs/dbraw/zinc/49/67/72/1377496772.db2.gz NCYSSEXJRYXBON-HKUYNNGSSA-N 2 0 345.531 3.128 20 0 EGADRP Cc1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1F ZINC001137672601 1377586910 /nfs/dbraw/zinc/58/69/10/1377586910.db2.gz OWOQRVDEQNKHJT-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)ccc(Cl)c1F ZINC001137882948 1377637619 /nfs/dbraw/zinc/63/76/19/1377637619.db2.gz MZHYOFFRWFMJCV-UHFFFAOYSA-N 2 0 347.881 3.324 20 0 EGADRP C[C@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+]1[C@H](C)CC[C@H]1C ZINC001137992905 1377660688 /nfs/dbraw/zinc/66/06/88/1377660688.db2.gz TVZPCNPYGJOUEU-RBSFLKMASA-N 2 0 327.472 3.364 20 0 EGADRP C[NH+](C)CCN1CC[NH+](Cc2c3ccccc3[nH]c2C(C)(C)C)CC1 ZINC001138310119 1377699677 /nfs/dbraw/zinc/69/96/77/1377699677.db2.gz CEBSDDFFZKAVDI-UHFFFAOYSA-N 2 0 342.531 3.145 20 0 EGADRP Cc1c2ccccc2sc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001138464043 1377727152 /nfs/dbraw/zinc/72/71/52/1377727152.db2.gz PQQPZLKPOHRNNU-UHFFFAOYSA-N 2 0 343.540 3.423 20 0 EGADRP Cc1c2ccccc2sc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001138460665 1377727274 /nfs/dbraw/zinc/72/72/74/1377727274.db2.gz QLTIKDZTGKZGRC-UHFFFAOYSA-N 2 0 343.540 3.422 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001138504209 1377734061 /nfs/dbraw/zinc/73/40/61/1377734061.db2.gz BSGHFGCGBOQHFW-UHFFFAOYSA-N 2 0 338.499 3.076 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccnn2[C@@H]2CCCCO2)CC1 ZINC001138778408 1377783234 /nfs/dbraw/zinc/78/32/34/1377783234.db2.gz BWTJVIGUKRGCJW-IBGZPJMESA-N 2 0 334.508 3.134 20 0 EGADRP C[N@H+](Cc1ccc(OCCO)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001138796813 1377786913 /nfs/dbraw/zinc/78/69/13/1377786913.db2.gz AWFFGTDMURDVJB-UHFFFAOYSA-N 2 0 346.515 3.287 20 0 EGADRP CC(C)Oc1ccc(Cl)cc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001138959915 1377809986 /nfs/dbraw/zinc/80/99/86/1377809986.db2.gz MFQBVRVQPMLIGR-UHFFFAOYSA-N 2 0 341.927 3.052 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(OCC)c1 ZINC001138979731 1377812323 /nfs/dbraw/zinc/81/23/23/1377812323.db2.gz JMXUUXHJCMTZHR-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1c[nH]c3ncc(C(F)(F)F)cc13)CC2 ZINC001139540594 1377900338 /nfs/dbraw/zinc/90/03/38/1377900338.db2.gz JZMRYSULQQQNSC-UHFFFAOYSA-N 2 0 338.377 3.109 20 0 EGADRP C[NH+](C)CCN1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC001139857306 1377964039 /nfs/dbraw/zinc/96/40/39/1377964039.db2.gz HZAAMWNAQSMYFT-UHFFFAOYSA-N 2 0 337.467 3.265 20 0 EGADRP c1ccc(-c2cccnc2)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001140313972 1378044608 /nfs/dbraw/zinc/04/46/08/1378044608.db2.gz IKIPAMVPRYJWEA-UHFFFAOYSA-N 2 0 330.435 3.466 20 0 EGADRP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001273591392 1378105105 /nfs/dbraw/zinc/10/51/05/1378105105.db2.gz QDBYJMHVWGVCNN-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001274036292 1378114474 /nfs/dbraw/zinc/11/44/74/1378114474.db2.gz MRHHLCVKOQJIFS-KXBFYZLASA-N 2 0 331.504 3.005 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c(C)c1 ZINC001274643209 1378131499 /nfs/dbraw/zinc/13/14/99/1378131499.db2.gz IJSUWBGLHHCTMB-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001275166596 1378137325 /nfs/dbraw/zinc/13/73/25/1378137325.db2.gz BBAXPBPFNVNLKF-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP COc1cccc(C)c1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001275532020 1378141295 /nfs/dbraw/zinc/14/12/95/1378141295.db2.gz YDJBMZXRSARFDA-UHFFFAOYSA-N 2 0 339.483 3.430 20 0 EGADRP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)ccc1O ZINC001275895916 1378161176 /nfs/dbraw/zinc/16/11/76/1378161176.db2.gz ZCHAMMUIKPJMNC-HDICACEKSA-N 2 0 344.499 3.487 20 0 EGADRP CCSc1ccccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277463927 1378224044 /nfs/dbraw/zinc/22/40/44/1378224044.db2.gz RDCQJUFKFAMOBM-ROUUACIJSA-N 2 0 333.545 3.009 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC001141472706 1378331799 /nfs/dbraw/zinc/33/17/99/1378331799.db2.gz CATPNTJXTLWIRI-UHFFFAOYSA-N 2 0 340.515 3.003 20 0 EGADRP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001143464453 1378599992 /nfs/dbraw/zinc/59/99/92/1378599992.db2.gz PMGOSMNYEQSNLB-CABCVRRESA-N 2 0 328.378 3.277 20 0 EGADRP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)CC1CC[NH+](C)CC1 ZINC001143790346 1378646093 /nfs/dbraw/zinc/64/60/93/1378646093.db2.gz BXGKEZLPEQNILP-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146396542 1378833977 /nfs/dbraw/zinc/83/39/77/1378833977.db2.gz AQWUAANWMFKXGB-YSKLNCTFSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCCCF)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398287 1378834188 /nfs/dbraw/zinc/83/41/88/1378834188.db2.gz NMCAPHSAUBXTLP-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146534014 1378861495 /nfs/dbraw/zinc/86/14/95/1378861495.db2.gz IPUCRKBBFWOVMC-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146537209 1378863491 /nfs/dbraw/zinc/86/34/91/1378863491.db2.gz XGDVHMSKPIJENN-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001146537230 1378863526 /nfs/dbraw/zinc/86/35/26/1378863526.db2.gz XNMDYTOLKJQVKR-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]CCC1CCCC1 ZINC001146610164 1378877645 /nfs/dbraw/zinc/87/76/45/1378877645.db2.gz ICCZFYYITUPBRT-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701562 1378900780 /nfs/dbraw/zinc/90/07/80/1378900780.db2.gz NGBNFIUDMLDQKW-YSKLNCTFSA-N 2 0 337.552 3.482 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146701588 1378900909 /nfs/dbraw/zinc/90/09/09/1378900909.db2.gz NOFRUBLEJJQKHK-HOTGVXAUSA-N 2 0 337.508 3.408 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC2CC2)o1 ZINC001146702310 1378901720 /nfs/dbraw/zinc/90/17/20/1378901720.db2.gz VFERAGACZUGPIN-CVEARBPZSA-N 2 0 349.519 3.408 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146716296 1378906805 /nfs/dbraw/zinc/90/68/05/1378906805.db2.gz YUKDLWXRLBQXIC-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001147300800 1379003206 /nfs/dbraw/zinc/00/32/06/1379003206.db2.gz DEFBCKGTRLZHPS-ROUUACIJSA-N 2 0 349.563 3.031 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001147449543 1379022896 /nfs/dbraw/zinc/02/28/96/1379022896.db2.gz TUEOWRGADDIRHJ-XYOKQWHBSA-N 2 0 345.531 3.308 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001147716567 1379064323 /nfs/dbraw/zinc/06/43/23/1379064323.db2.gz HSKANZZJXWZZLY-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147741993 1379070502 /nfs/dbraw/zinc/07/05/02/1379070502.db2.gz CRDUWJOFKXZLAY-SFFCAUCYSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001147829059 1379085933 /nfs/dbraw/zinc/08/59/33/1379085933.db2.gz CBWPPBTZQBVACL-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001283692530 1379122457 /nfs/dbraw/zinc/12/24/57/1379122457.db2.gz JDZQIQUZPBXYAQ-ZWKOTPCHSA-N 2 0 339.568 3.226 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385775 1379161872 /nfs/dbraw/zinc/16/18/72/1379161872.db2.gz QWKOLYLYOLCNAK-SFFCAUCYSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001148573528 1379215009 /nfs/dbraw/zinc/21/50/09/1379215009.db2.gz SUGQKUIHDXAQFW-QGZVFWFLSA-N 2 0 333.520 3.309 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001284016978 1379365821 /nfs/dbraw/zinc/36/58/21/1379365821.db2.gz LIKCTENANKLYLD-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1[nH]c2ccccc2c1C1=CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC001327870257 1388610959 /nfs/dbraw/zinc/61/09/59/1388610959.db2.gz DOAVESGGLZBQGQ-GOSISDBHSA-N 2 0 341.499 3.267 20 0 EGADRP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CCCC1CCCC1 ZINC001284131400 1379513673 /nfs/dbraw/zinc/51/36/73/1379513673.db2.gz KZVQRHVLYMDAGB-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001151867940 1379804990 /nfs/dbraw/zinc/80/49/90/1379804990.db2.gz SODDXVUNZCAPIR-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC001152446095 1379935199 /nfs/dbraw/zinc/93/51/99/1379935199.db2.gz UBNYBFBJROBMRY-GFCCVEGCSA-N 2 0 346.302 3.100 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCCC1 ZINC001152479732 1379940445 /nfs/dbraw/zinc/94/04/45/1379940445.db2.gz JQCZKFWFFLQOKN-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001152480047 1379940811 /nfs/dbraw/zinc/94/08/11/1379940811.db2.gz LRRNVAUUBWFVNP-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854687 1380144607 /nfs/dbraw/zinc/14/46/07/1380144607.db2.gz QFHVWIVNELXIAH-QGZVFWFLSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879310 1380148219 /nfs/dbraw/zinc/14/82/19/1380148219.db2.gz FRLHRTNKQYZXJW-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455100 1380280590 /nfs/dbraw/zinc/28/05/90/1380280590.db2.gz FNKTZHDRDUAFHE-IELZWVCUSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464581 1380283175 /nfs/dbraw/zinc/28/31/75/1380283175.db2.gz PWPKAMXRRAKDLA-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154482033 1380286314 /nfs/dbraw/zinc/28/63/14/1380286314.db2.gz WSKNEZNJNCHAIG-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481789 1380286561 /nfs/dbraw/zinc/28/65/61/1380286561.db2.gz UWVMHUANBRVNQY-HMWXGYMHSA-N 2 0 343.943 3.078 20 0 EGADRP Cn1ccc2cc(CNc3cccc(N4CCC([NH3+])CC4)[nH+]3)ccc21 ZINC001154806826 1380355447 /nfs/dbraw/zinc/35/54/47/1380355447.db2.gz XKLMDOKBDGNQPG-UHFFFAOYSA-N 2 0 335.455 3.113 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844586 1380363426 /nfs/dbraw/zinc/36/34/26/1380363426.db2.gz ONKLBURJJOWWOA-KSZLIROESA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/c1ccccc1)[NH+](C)C ZINC001155289145 1380434045 /nfs/dbraw/zinc/43/40/45/1380434045.db2.gz LPPGJVVTKQCDEE-JAGYYFLNSA-N 2 0 345.531 3.257 20 0 EGADRP COc1ccc2c[nH+]c(NCC[C@H]3C[NH2+]Cc4cccn4C3)cc2c1 ZINC001155458564 1380456157 /nfs/dbraw/zinc/45/61/57/1380456157.db2.gz IWFUSLMXMGGTGF-HNNXBMFYSA-N 2 0 336.439 3.267 20 0 EGADRP COc1cccc(N(c2cc(N(C)C)cc[nH+]2)C2CC[NH2+]CC2)c1 ZINC001155605444 1380472545 /nfs/dbraw/zinc/47/25/45/1380472545.db2.gz DLAIBXQOOXZMHU-UHFFFAOYSA-N 2 0 326.444 3.046 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001155790984 1380492439 /nfs/dbraw/zinc/49/24/39/1380492439.db2.gz QEBDZEBWKRYUOK-APWZRJJASA-N 2 0 331.504 3.061 20 0 EGADRP CC[NH+](Cc1ccc(C2CC2)cc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193805 1380539463 /nfs/dbraw/zinc/53/94/63/1380539463.db2.gz GNHWGPZMZPCAEL-QGZVFWFLSA-N 2 0 345.531 3.232 20 0 EGADRP CC[NH+](CCCc1cccc(C)c1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194791 1380539910 /nfs/dbraw/zinc/53/99/10/1380539910.db2.gz WGUXOOJZMOHJBJ-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C\Cl ZINC001156306966 1380554967 /nfs/dbraw/zinc/55/49/67/1380554967.db2.gz YIPXUFHXBXEEEJ-AITIYTRBSA-N 2 0 343.943 3.220 20 0 EGADRP CN(C)c1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001156315374 1380556753 /nfs/dbraw/zinc/55/67/53/1380556753.db2.gz BEPAKDYBHQDBSE-YZGWKJHDSA-N 2 0 336.483 3.470 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)CC[NH2+]C5)[C@@H]3C2)cc1 ZINC001156313812 1380556955 /nfs/dbraw/zinc/55/69/55/1380556955.db2.gz CIZNURKLJFPTGE-ZVDOUQERSA-N 2 0 348.494 3.050 20 0 EGADRP Cc1c(Cl)nc2cc(F)cc(F)c2c1NC(=[NH2+])NCCCC[NH3+] ZINC001157101508 1380776413 /nfs/dbraw/zinc/77/64/13/1380776413.db2.gz KJSYNGYFTWDQFH-UHFFFAOYSA-N 2 0 341.793 3.150 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109476 1380777777 /nfs/dbraw/zinc/77/77/77/1380777777.db2.gz OZBHRCYQHNQMDF-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157118962 1380779875 /nfs/dbraw/zinc/77/98/75/1380779875.db2.gz QFDOJRVOKPLXEF-MOPGFXCFSA-N 2 0 339.568 3.370 20 0 EGADRP Cc1cccc2ccc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc12 ZINC001157835529 1381047972 /nfs/dbraw/zinc/04/79/72/1381047972.db2.gz DNKMGYPLNLCECJ-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157893252 1381062772 /nfs/dbraw/zinc/06/27/72/1381062772.db2.gz CQDCLSOEVQALHY-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001157899264 1381065047 /nfs/dbraw/zinc/06/50/47/1381065047.db2.gz LWMWJZDTPQDUNH-OALUTQOASA-N 2 0 331.504 3.106 20 0 EGADRP C[N@H+](C/C=C\Cl)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185202 1381151509 /nfs/dbraw/zinc/15/15/09/1381151509.db2.gz CCUMTZNWNBTVBC-HQQUCIOCSA-N 2 0 346.862 3.013 20 0 EGADRP Cc1nc(N2CCCC2)cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001158265178 1381177863 /nfs/dbraw/zinc/17/78/63/1381177863.db2.gz FSXQSQTUTFHNFK-BEFAXECRSA-N 2 0 331.508 3.341 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158437975 1381247140 /nfs/dbraw/zinc/24/71/40/1381247140.db2.gz IXPWLNHIETWOCB-IHHMQQGQSA-N 2 0 337.552 3.388 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473395 1381256343 /nfs/dbraw/zinc/25/63/43/1381256343.db2.gz LAEDRWNOBSLTOU-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473910 1381257275 /nfs/dbraw/zinc/25/72/75/1381257275.db2.gz QDZRCVPOVPRATK-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1)[NH+](C)C ZINC001158486389 1381263488 /nfs/dbraw/zinc/26/34/88/1381263488.db2.gz AFHNJRWDYFUOGF-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001158522363 1381280011 /nfs/dbraw/zinc/28/00/11/1381280011.db2.gz ZOEZATPOKRWDTM-QZTJIDSGSA-N 2 0 347.466 3.367 20 0 EGADRP C[NH+]1CCC(N(c2nccc3ccc(F)cc32)C2CC[NH2+]CC2)CC1 ZINC001158581412 1381308337 /nfs/dbraw/zinc/30/83/37/1381308337.db2.gz RQRJNPDBFJJLNA-UHFFFAOYSA-N 2 0 342.462 3.027 20 0 EGADRP C[NH+]1CCC(N(c2ccc3ccc(F)cc3n2)C2CC[NH2+]CC2)CC1 ZINC001158589595 1381310052 /nfs/dbraw/zinc/31/00/52/1381310052.db2.gz USWWMVAUCCOHJG-UHFFFAOYSA-N 2 0 342.462 3.027 20 0 EGADRP Cc1ccc(C[NH+](C)C[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001158923390 1381466013 /nfs/dbraw/zinc/46/60/13/1381466013.db2.gz ZVTNVXLWBBMVIA-HXUWFJFHSA-N 2 0 345.531 3.148 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001328355216 1388728898 /nfs/dbraw/zinc/72/88/98/1388728898.db2.gz CRFCWIUXQZYBTM-LBPRGKRZSA-N 2 0 340.358 3.121 20 0 EGADRP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CC[C@@H]([NH3+])C2)nc1 ZINC001159329684 1381765465 /nfs/dbraw/zinc/76/54/65/1381765465.db2.gz WQLCUVNFLQFUAI-QGZVFWFLSA-N 2 0 339.487 3.204 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001159335041 1381768148 /nfs/dbraw/zinc/76/81/48/1381768148.db2.gz PSCCKRGSLHLNKC-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)(C)[NH2+]Cc1ccc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001159346774 1381772171 /nfs/dbraw/zinc/77/21/71/1381772171.db2.gz AEWMQVROIPFBPI-QGZVFWFLSA-N 2 0 340.471 3.454 20 0 EGADRP C[NH+]1CCN(Cc2ccc(Nc3ccc(C(C)(C)[NH3+])cc3)cc2)CC1 ZINC001159508704 1381811620 /nfs/dbraw/zinc/81/16/20/1381811620.db2.gz SKKCHMXFWTXPRK-UHFFFAOYSA-N 2 0 338.499 3.371 20 0 EGADRP c1cc(Nc2ccc(C[NH+]3CCCC3)cc2)cc(N2CC[NH2+]CC2)c1 ZINC001159507154 1381811712 /nfs/dbraw/zinc/81/17/12/1381811712.db2.gz CEQIUKZNBZOVRD-UHFFFAOYSA-N 2 0 336.483 3.436 20 0 EGADRP c1cc(CN2CC[NH2+]CC2)cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001159631375 1381853360 /nfs/dbraw/zinc/85/33/60/1381853360.db2.gz OLHPCCDMPSAHMM-NRFANRHFSA-N 2 0 340.515 3.036 20 0 EGADRP c1cc(CN2CC[NH2+]CC2)cc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001159637025 1381855741 /nfs/dbraw/zinc/85/57/41/1381855741.db2.gz JOWZCXRFHATSJC-OAQYLSRUSA-N 2 0 336.483 3.260 20 0 EGADRP Fc1ccc(OCC2CC[NH2+]CC2)c(NC=CC2CC[NH2+]CC2)c1 ZINC001159889186 1381929093 /nfs/dbraw/zinc/92/90/93/1381929093.db2.gz LIZZAEDOYOGNFV-KPKJPENVSA-N 2 0 333.451 3.129 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001159908208 1381934193 /nfs/dbraw/zinc/93/41/93/1381934193.db2.gz GYTFOKACMUAISI-LJQANCHMSA-N 2 0 349.494 3.015 20 0 EGADRP CC[NH2+]Cc1cccc(Nc2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001159955991 1381949245 /nfs/dbraw/zinc/94/92/45/1381949245.db2.gz CHDLYLQBFZNUKY-UHFFFAOYSA-N 2 0 328.460 3.265 20 0 EGADRP c1ccc(C2=CC[NH2+]CC2)c(Nc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001160023336 1381970782 /nfs/dbraw/zinc/97/07/82/1381970782.db2.gz LQSNEKHTVBFPCC-UHFFFAOYSA-N 2 0 334.467 3.217 20 0 EGADRP CC(C)([NH2+]Cc1ccccc1N1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC001160115488 1382001197 /nfs/dbraw/zinc/00/11/97/1382001197.db2.gz KFXFBOBEOQXVQC-UHFFFAOYSA-N 2 0 344.890 3.170 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131568 1382008923 /nfs/dbraw/zinc/00/89/23/1382008923.db2.gz PZTSMANGGRXXJK-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169719 1382024092 /nfs/dbraw/zinc/02/40/92/1382024092.db2.gz ZAGHRQLIOIWPIU-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001160175213 1382025257 /nfs/dbraw/zinc/02/52/57/1382025257.db2.gz GQUUMQRFMPWODX-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c1 ZINC001160182228 1382026968 /nfs/dbraw/zinc/02/69/68/1382026968.db2.gz USSYWYRDZJAPKE-MRXNPFEDSA-N 2 0 329.419 3.372 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001290312410 1382080972 /nfs/dbraw/zinc/08/09/72/1382080972.db2.gz KHEVDAFRCZULFH-SJORKVTESA-N 2 0 349.544 3.123 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360253 1382082740 /nfs/dbraw/zinc/08/27/40/1382082740.db2.gz MJXLCEDNOCOAEB-PXNSSMCTSA-N 2 0 349.563 3.147 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360286 1382083046 /nfs/dbraw/zinc/08/30/46/1382083046.db2.gz NIXCEOFNIHYWLL-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399608 1382092999 /nfs/dbraw/zinc/09/29/99/1382092999.db2.gz BPVONXQHKHGJAY-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399987 1382093178 /nfs/dbraw/zinc/09/31/78/1382093178.db2.gz ISNWGVHNPVQILT-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1)[NH+](C)C ZINC001160405978 1382095410 /nfs/dbraw/zinc/09/54/10/1382095410.db2.gz GGGFAEPQXIXKSG-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160500711 1382125222 /nfs/dbraw/zinc/12/52/22/1382125222.db2.gz QZLGAYHEOTUAGB-AZUAARDMSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001160518224 1382129407 /nfs/dbraw/zinc/12/94/07/1382129407.db2.gz KVKDXIDVSBKITH-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592769 1382149340 /nfs/dbraw/zinc/14/93/40/1382149340.db2.gz CRVGYOSYPIYOME-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778791 1382193439 /nfs/dbraw/zinc/19/34/39/1382193439.db2.gz PRPPDVJLIKJRBK-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160870579 1382219901 /nfs/dbraw/zinc/21/99/01/1382219901.db2.gz ZLVMAECNMTYQMG-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001160986057 1382261364 /nfs/dbraw/zinc/26/13/64/1382261364.db2.gz LLZYSKTWUVRXLG-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)(C)C(=O)C[NH+]1CCC(Nc2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001161120326 1382307052 /nfs/dbraw/zinc/30/70/52/1382307052.db2.gz SUVNPGFEZOYWEN-UHFFFAOYSA-N 2 0 344.503 3.173 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161219936 1382346876 /nfs/dbraw/zinc/34/68/76/1382346876.db2.gz REJMNMAZMSZICO-SFHVURJKSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161387150 1382393112 /nfs/dbraw/zinc/39/31/12/1382393112.db2.gz ANKSWPHUVNBQME-MOPGFXCFSA-N 2 0 333.520 3.093 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390588 1382394262 /nfs/dbraw/zinc/39/42/62/1382394262.db2.gz HUHXOFCDWWWIDV-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001161390666 1382394490 /nfs/dbraw/zinc/39/44/90/1382394490.db2.gz IOLBMJRYLBJBBE-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504162 1382424760 /nfs/dbraw/zinc/42/47/60/1382424760.db2.gz DTYSFHSUTXSXPU-HJWRWDBZSA-N 2 0 335.536 3.213 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC2=CC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC001161554861 1382438530 /nfs/dbraw/zinc/43/85/30/1382438530.db2.gz VDHGMAOLKHONCP-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]CCCC2CCCC2)ccc2c[nH+]cn21 ZINC001161563671 1382439971 /nfs/dbraw/zinc/43/99/71/1382439971.db2.gz BNZBSKGYDRLDJX-UHFFFAOYSA-N 2 0 342.487 3.323 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001161643912 1382468335 /nfs/dbraw/zinc/46/83/35/1382468335.db2.gz DPCANDXNKRMDHY-VQTJNVASSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704532 1382485257 /nfs/dbraw/zinc/48/52/57/1382485257.db2.gz CDMXIQOHMRPICB-PMACEKPBSA-N 2 0 347.547 3.211 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)C1 ZINC001161705805 1382485683 /nfs/dbraw/zinc/48/56/83/1382485683.db2.gz YGEZOMLZPSNUBT-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001161857529 1382532246 /nfs/dbraw/zinc/53/22/46/1382532246.db2.gz PZXQXPUAYAICCH-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161863693 1382533451 /nfs/dbraw/zinc/53/34/51/1382533451.db2.gz NXUUNVSHUANWEO-MRXNPFEDSA-N 2 0 336.439 3.113 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161937672 1382561276 /nfs/dbraw/zinc/56/12/76/1382561276.db2.gz CXHBIRLTAGLWKF-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1ccc(-c2cccc3ccccc32)nn1 ZINC001162294122 1382723662 /nfs/dbraw/zinc/72/36/62/1382723662.db2.gz AGGYTUCBOOSYKO-UHFFFAOYSA-N 2 0 349.482 3.427 20 0 EGADRP F[C@]1(CNc2cccc3c2C2(C=C3)CC[NH2+]CC2)CCCC[NH2+]C1 ZINC001162579461 1382797215 /nfs/dbraw/zinc/79/72/15/1382797215.db2.gz CLTZVZDBFLLTFZ-HXUWFJFHSA-N 2 0 329.463 3.228 20 0 EGADRP O=C(NCCC[NH2+][C@H]1CCCc2ccccc21)c1ccc2c[nH+]cn2c1 ZINC001162617992 1382811721 /nfs/dbraw/zinc/81/17/21/1382811721.db2.gz YREVAIBIYMAAKW-FQEVSTJZSA-N 2 0 348.450 3.121 20 0 EGADRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc[nH+]c2cc(C)ccc12 ZINC001162738460 1382853529 /nfs/dbraw/zinc/85/35/29/1382853529.db2.gz BWMIRPYJFXWEET-SFHVURJKSA-N 2 0 329.444 3.086 20 0 EGADRP CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162982783 1382936807 /nfs/dbraw/zinc/93/68/07/1382936807.db2.gz OTFHWQNGFJFPSA-UHFFFAOYSA-N 2 0 347.547 3.179 20 0 EGADRP CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163007006 1382946604 /nfs/dbraw/zinc/94/66/04/1382946604.db2.gz MLVMJSKLKLEIDH-UHFFFAOYSA-N 2 0 347.547 3.178 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163248158 1383004051 /nfs/dbraw/zinc/00/40/51/1383004051.db2.gz NWBIJRFXJNVIQB-UHFFFAOYSA-N 2 0 333.520 3.081 20 0 EGADRP Cc1cccc(C[NH2+]CCCNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001163267712 1383008669 /nfs/dbraw/zinc/00/86/69/1383008669.db2.gz HZJQMNFQGFUZHV-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001163274712 1383010525 /nfs/dbraw/zinc/01/05/25/1383010525.db2.gz DGJHPSXNDYWSDH-SFHVURJKSA-N 2 0 345.531 3.498 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(CCNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001163820509 1383125537 /nfs/dbraw/zinc/12/55/37/1383125537.db2.gz FWJFSNOLLGWKNA-HKUYNNGSSA-N 2 0 343.515 3.026 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001163833131 1383127196 /nfs/dbraw/zinc/12/71/96/1383127196.db2.gz JQTKGNNOIATFPD-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP [NH2+]=C(Nc1ccc(N2CC[NH2+]CC2)nc1)C12CC3CC(CC(C3)C1)C2 ZINC001163844423 1383128504 /nfs/dbraw/zinc/12/85/04/1383128504.db2.gz YUXNAEYKSHOHLR-UHFFFAOYSA-N 2 0 339.487 3.097 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001165142037 1383235982 /nfs/dbraw/zinc/23/59/82/1383235982.db2.gz ZOLJXHVKSDASOV-UHFFFAOYSA-N 2 0 326.444 3.019 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2c(F)cccc2O[C@H]2CC[NH2+]C2)cc1 ZINC001165213496 1383249706 /nfs/dbraw/zinc/24/97/06/1383249706.db2.gz IFNJBGPAZDFMEE-INIZCTEOSA-N 2 0 329.419 3.372 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165245681 1383257167 /nfs/dbraw/zinc/25/71/67/1383257167.db2.gz BHYNSPHBNFYKTL-INIZCTEOSA-N 2 0 343.471 3.120 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001165261565 1383260571 /nfs/dbraw/zinc/26/05/71/1383260571.db2.gz AVMJYRASYUDVMX-KRWDZBQOSA-N 2 0 345.531 3.309 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165331703 1383274737 /nfs/dbraw/zinc/27/47/37/1383274737.db2.gz AFBICNMJNYJHPP-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)Cc1c[nH]c2nccc(NCC3C[NH+](Cc4ccccc4)C3)c12 ZINC001165468833 1383299594 /nfs/dbraw/zinc/29/95/94/1383299594.db2.gz GTIOGDMIPAMPHX-UHFFFAOYSA-N 2 0 349.482 3.168 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1)C1CC1 ZINC001165484392 1383300796 /nfs/dbraw/zinc/30/07/96/1383300796.db2.gz DJEFCRPMTMKPAA-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cc2[nH]ccc2c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)[nH+]1 ZINC001165669957 1383322476 /nfs/dbraw/zinc/32/24/76/1383322476.db2.gz OQQWMTOUJNLSNM-OAHLLOKOSA-N 2 0 342.487 3.387 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165718345 1383331424 /nfs/dbraw/zinc/33/14/24/1383331424.db2.gz JAPJQUHYLRVXKN-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165729077 1383334481 /nfs/dbraw/zinc/33/44/81/1383334481.db2.gz YKKADFQLIYIYIJ-QVOQXLMASA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926747 1383365953 /nfs/dbraw/zinc/36/59/53/1383365953.db2.gz BOZRYVBXTXSUAI-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]C[C@H](C)CC)CC2)C1 ZINC001166793253 1383478368 /nfs/dbraw/zinc/47/83/68/1383478368.db2.gz HDIFYWJVLAYWAN-MSOLQXFVSA-N 2 0 337.552 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166843068 1383486242 /nfs/dbraw/zinc/48/62/42/1383486242.db2.gz PCAVSRWOBGUVDX-RJCMGOLDSA-N 2 0 349.563 3.339 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)CC1 ZINC001166870023 1383490563 /nfs/dbraw/zinc/49/05/63/1383490563.db2.gz QHWGHFMSVUUOHH-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]C[C@@H](C)CC)CC1)[NH+](CC)CC ZINC001167180341 1383560362 /nfs/dbraw/zinc/56/03/62/1383560362.db2.gz XYWBCLPHWOFHOX-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167223894 1383570454 /nfs/dbraw/zinc/57/04/54/1383570454.db2.gz CXUXEYUHBAHGEL-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167236041 1383571925 /nfs/dbraw/zinc/57/19/25/1383571925.db2.gz GKTVUUBFJKWYCO-MJGOQNOKSA-N 2 0 349.563 3.031 20 0 EGADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)CC(C)(C)C ZINC001167240158 1383573188 /nfs/dbraw/zinc/57/31/88/1383573188.db2.gz DASMSNHSPUNAMN-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC1(C)CC(C[NH2+]CC2(CCNC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001167240269 1383573259 /nfs/dbraw/zinc/57/32/59/1383573259.db2.gz HEGUKYJACAGEBV-UHFFFAOYSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001167251282 1383575202 /nfs/dbraw/zinc/57/52/02/1383575202.db2.gz PJJZTEQMXOZUBX-QAPCUYQASA-N 2 0 349.494 3.103 20 0 EGADRP [NH3+]Cc1cnc2c(ccn2-c2ccc(SC3CC[NH2+]CC3)cc2)c1 ZINC001167316265 1383594619 /nfs/dbraw/zinc/59/46/19/1383594619.db2.gz MQUWRLLBOSDKTN-UHFFFAOYSA-N 2 0 338.480 3.328 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426754 1383630608 /nfs/dbraw/zinc/63/06/08/1383630608.db2.gz YFWMTAFEJYDRBT-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426338 1383630698 /nfs/dbraw/zinc/63/06/98/1383630698.db2.gz SHGGZWNGGILING-OALUTQOASA-N 2 0 349.563 3.460 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426340 1383630771 /nfs/dbraw/zinc/63/07/71/1383630771.db2.gz SHGGZWNGGILING-RTBURBONSA-N 2 0 349.563 3.460 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426339 1383630994 /nfs/dbraw/zinc/63/09/94/1383630994.db2.gz SHGGZWNGGILING-RBUKOAKNSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC3CC(C)C3)CC2)CC1 ZINC001167599960 1383685989 /nfs/dbraw/zinc/68/59/89/1383685989.db2.gz YFCZPTAKXDJYLR-UHFFFAOYSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]Cc1ccc(CF)cc1)[NH+]1CCCCCC1 ZINC001167609321 1383688272 /nfs/dbraw/zinc/68/82/72/1383688272.db2.gz NDWVFPHSMHTFRE-QGZVFWFLSA-N 2 0 349.494 3.017 20 0 EGADRP C/C=C(\NC=[NH2+])N(c1cc(OC)cc2cccnc21)[C@H](C)CCC[NH3+] ZINC001167615312 1383689708 /nfs/dbraw/zinc/68/97/08/1383689708.db2.gz YPUAAUJRBDXFHI-QRYMHOHYSA-N 2 0 341.459 3.235 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCCCC1 ZINC001167620991 1383690494 /nfs/dbraw/zinc/69/04/94/1383690494.db2.gz VUCOENGKOOBHGA-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167824312 1383749364 /nfs/dbraw/zinc/74/93/64/1383749364.db2.gz DJNSATXRKYMDTL-IRXDYDNUSA-N 2 0 341.540 3.438 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(CCc2ccccc2)CC1 ZINC001167824655 1383749388 /nfs/dbraw/zinc/74/93/88/1383749388.db2.gz DNJWARBQGXBPAP-HXUWFJFHSA-N 2 0 331.548 3.357 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167836834 1383755298 /nfs/dbraw/zinc/75/52/98/1383755298.db2.gz HXGVPWWKUWTTDG-HNNXBMFYSA-N 2 0 327.513 3.048 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2cc(C)ncn2)C1 ZINC001167836253 1383755392 /nfs/dbraw/zinc/75/53/92/1383755392.db2.gz YKGMGZJBCBNWKR-QZTJIDSGSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N(C(C)=O)C(C)C)CC1 ZINC001167841901 1383756699 /nfs/dbraw/zinc/75/66/99/1383756699.db2.gz UERQUFHRLHJORU-QGZVFWFLSA-N 2 0 325.541 3.218 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005434 1383795292 /nfs/dbraw/zinc/79/52/92/1383795292.db2.gz ITSDBTDKVBKIBW-OPVJXMOQSA-N 2 0 326.488 3.304 20 0 EGADRP C[C@@H]1CC(NC[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009769 1383795993 /nfs/dbraw/zinc/79/59/93/1383795993.db2.gz IBRWFXNIONSBMX-GGPKGHCWSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@@H]1CC([NH2+]Cc2ccc(=O)[nH]c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168013599 1383796522 /nfs/dbraw/zinc/79/65/22/1383796522.db2.gz IELMBHUHWLTFKZ-HZPDHXFCSA-N 2 0 325.456 3.318 20 0 EGADRP C[C@@H]1CC([NH2+]CCOc2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168020883 1383798647 /nfs/dbraw/zinc/79/86/47/1383798647.db2.gz OIAJDNIIJMPDQQ-QZTJIDSGSA-N 2 0 339.483 3.492 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168039487 1383802284 /nfs/dbraw/zinc/80/22/84/1383802284.db2.gz FQKPOYAOKJNQEM-ZHALLVOQSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@H]1CC(N2CC[NH+](C3CC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040446 1383803027 /nfs/dbraw/zinc/80/30/27/1383803027.db2.gz MUZZXIDPFRRBRU-ROUUACIJSA-N 2 0 327.516 3.208 20 0 EGADRP CC(=O)NC1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168040412 1383803585 /nfs/dbraw/zinc/80/35/85/1383803585.db2.gz MPGBHXDXFJCDBS-IAGOWNOFSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2C[C@H]3[C@H](C2)CCCN3C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056636 1383805438 /nfs/dbraw/zinc/80/54/38/1383805438.db2.gz HEVYBKKAMWHBGH-ITEKTMBMSA-N 2 0 341.543 3.454 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CC3CCC(C)(C)CC3)CC2)C1 ZINC001168137288 1383825174 /nfs/dbraw/zinc/82/51/74/1383825174.db2.gz MPHGAXKHSYPNNS-GOSISDBHSA-N 2 0 349.563 3.031 20 0 EGADRP C[C@H](COCc1ccccc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001168175372 1383834979 /nfs/dbraw/zinc/83/49/79/1383834979.db2.gz MCTBTJNDCAZSAY-SFHVURJKSA-N 2 0 325.456 3.057 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001168278005 1383860794 /nfs/dbraw/zinc/86/07/94/1383860794.db2.gz ASAYOONMKKIDGI-BDTNDASRSA-N 2 0 348.490 3.226 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291303 1383864933 /nfs/dbraw/zinc/86/49/33/1383864933.db2.gz VHZBLLNIMGPJKP-CALCHBBNSA-N 2 0 337.552 3.172 20 0 EGADRP CCOC(=O)Cc1ccc2c(c1)C[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168313588 1383870888 /nfs/dbraw/zinc/87/08/88/1383870888.db2.gz DSAQUZXOXFEMCK-UHFFFAOYSA-N 2 0 344.499 3.023 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C4CCC([NH+](C)C)CC4)C[C@H]3C2)cc1 ZINC001168319279 1383871842 /nfs/dbraw/zinc/87/18/42/1383871842.db2.gz QKIWTZFYVOERQL-JTVPBKEVSA-N 3 0 341.543 3.231 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001168327395 1383873898 /nfs/dbraw/zinc/87/38/98/1383873898.db2.gz MFRPRYBRUUCPEG-KLAILNCOSA-N 2 0 339.524 3.238 20 0 EGADRP COc1ccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)cc1 ZINC001168365845 1383884812 /nfs/dbraw/zinc/88/48/12/1383884812.db2.gz YBIFKPQIDIHDBS-UHFFFAOYSA-N 2 0 344.499 3.165 20 0 EGADRP c1ccc(CC2([NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)cc1 ZINC001168368353 1383885820 /nfs/dbraw/zinc/88/58/20/1383885820.db2.gz IZBHWXYSKHEAEP-UHFFFAOYSA-N 2 0 328.500 3.242 20 0 EGADRP C[C@@H]1CN(C2CC[NH+](CC3CC3)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001168374214 1383888623 /nfs/dbraw/zinc/88/86/23/1383888623.db2.gz XNHOXSXHPLLOSB-MOPGFXCFSA-N 2 0 341.543 3.456 20 0 EGADRP COC(=O)c1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168394523 1383894400 /nfs/dbraw/zinc/89/44/00/1383894400.db2.gz ASNZSWSEPYMQOW-HXUWFJFHSA-N 2 0 342.483 3.485 20 0 EGADRP C[NH+](C)Cc1c[nH]c2nccc(N3C[C@H](CC[NH3+])c4ccccc43)c12 ZINC001168550419 1383934740 /nfs/dbraw/zinc/93/47/40/1383934740.db2.gz ZEIWJVAQFVSJKT-AWEZNQCLSA-N 2 0 335.455 3.209 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([N@H+](C)CC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168653027 1383959722 /nfs/dbraw/zinc/95/97/22/1383959722.db2.gz LENIVMYLPYYCEN-AZUAARDMSA-N 2 0 332.488 3.189 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([N@H+](C)CC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168653028 1383959774 /nfs/dbraw/zinc/95/97/74/1383959774.db2.gz LENIVMYLPYYCEN-ICSRJNTNSA-N 2 0 332.488 3.189 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168812051 1384015285 /nfs/dbraw/zinc/01/52/85/1384015285.db2.gz PHAPXFHUNFCPNB-ZACQAIPSSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168812049 1384015930 /nfs/dbraw/zinc/01/59/30/1384015930.db2.gz PHAPXFHUNFCPNB-IKGGRYGDSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307706889 1384017100 /nfs/dbraw/zinc/01/71/00/1384017100.db2.gz NNEMXSNCMZSISO-BHIYHBOVSA-N 2 0 345.531 3.210 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093561 1384105652 /nfs/dbraw/zinc/10/56/52/1384105652.db2.gz IMSIUPWZWJIXLJ-NCYKPQTJSA-N 2 0 327.516 3.113 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]CC3CCCCCC3)cc2)CC1 ZINC001308199654 1384108105 /nfs/dbraw/zinc/10/81/05/1384108105.db2.gz BPWVDNKQPSAIMX-UHFFFAOYSA-N 2 0 329.532 3.494 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169108156 1384108234 /nfs/dbraw/zinc/10/82/34/1384108234.db2.gz OYLUSCZRMVHEFR-CRERYFEZSA-N 2 0 349.519 3.132 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]CC3CCCCC3)cc2)CC1 ZINC001308202557 1384108453 /nfs/dbraw/zinc/10/84/53/1384108453.db2.gz HXLDCFRXHFVZFQ-UHFFFAOYSA-N 2 0 329.532 3.494 20 0 EGADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC001169117298 1384109226 /nfs/dbraw/zinc/10/92/26/1384109226.db2.gz XTTMXAXHTDXICE-ZMMAXQRCSA-N 2 0 328.456 3.065 20 0 EGADRP CC[C@@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC001308231188 1384111347 /nfs/dbraw/zinc/11/13/47/1384111347.db2.gz SQTHZPVTXRSIKY-SFHVURJKSA-N 2 0 338.499 3.117 20 0 EGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148099 1384115051 /nfs/dbraw/zinc/11/50/51/1384115051.db2.gz YSAMTNNOEGSPCT-CGXNFDGLSA-N 2 0 327.516 3.066 20 0 EGADRP COC(=O)c1ccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169163033 1384117518 /nfs/dbraw/zinc/11/75/18/1384117518.db2.gz XCTRTJWDDAIDJX-FCGDIQPGSA-N 2 0 328.456 3.235 20 0 EGADRP CC[NH+]1CCC(N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)CC1 ZINC001169246057 1384126941 /nfs/dbraw/zinc/12/69/41/1384126941.db2.gz NTVFKQQTZNBVJT-UHFFFAOYSA-N 2 0 338.499 3.150 20 0 EGADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC001308777743 1384149262 /nfs/dbraw/zinc/14/92/62/1384149262.db2.gz OCLJWGDRTSWKFK-HMXCVIKNSA-N 2 0 330.516 3.354 20 0 EGADRP CC[NH+]1CCC(C[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C)CC1 ZINC001308874911 1384156333 /nfs/dbraw/zinc/15/63/33/1384156333.db2.gz ATQFDFRXZOITNE-UHFFFAOYSA-N 2 0 326.525 3.408 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)CC(C)(C)CC[NH3+] ZINC001169749276 1384182279 /nfs/dbraw/zinc/18/22/79/1384182279.db2.gz VETVBDUUCHVSEX-MJGOQNOKSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169810593 1384188093 /nfs/dbraw/zinc/18/80/93/1384188093.db2.gz RGGZCCQOEDKTNB-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP C1=CC[C@H](C[NH+]2CCC([NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)CC1 ZINC001169937179 1384201623 /nfs/dbraw/zinc/20/16/23/1384201623.db2.gz VJCFFWVWALNXHW-PKOBYXMFSA-N 2 0 334.504 3.082 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)CCO1 ZINC001170193721 1384260873 /nfs/dbraw/zinc/26/08/73/1384260873.db2.gz SAIISNPWNUJUNY-JGUPTHKFSA-N 2 0 336.460 3.080 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc4c(n2)C[NH2+]CC4)C3)cc1 ZINC001170329980 1384292975 /nfs/dbraw/zinc/29/29/75/1384292975.db2.gz CLJCPYISMQSNPB-OWZKRDHZSA-N 2 0 348.494 3.335 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001170432147 1384317572 /nfs/dbraw/zinc/31/75/72/1384317572.db2.gz QMRMQIKNKHKLOG-KBAYOESNSA-N 2 0 332.488 3.445 20 0 EGADRP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001312658111 1384363192 /nfs/dbraw/zinc/36/31/92/1384363192.db2.gz CSNCEORHKRUTQU-SCTDSRPQSA-N 2 0 348.535 3.097 20 0 EGADRP C[NH+](C)Cc1cccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)n1 ZINC001170753274 1384379868 /nfs/dbraw/zinc/37/98/68/1384379868.db2.gz DDDIKSPZTZFRJH-FQEVSTJZSA-N 2 0 338.499 3.262 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170768996 1384382185 /nfs/dbraw/zinc/38/21/85/1384382185.db2.gz CCCGYDNSMUBTEK-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170785730 1384385494 /nfs/dbraw/zinc/38/54/94/1384385494.db2.gz WAEIEUPHINXRIM-FQQSSWHASA-N 2 0 337.552 3.483 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CCCOCC4)CC[C@H]3C2)cc1 ZINC001170846201 1384397827 /nfs/dbraw/zinc/39/78/27/1384397827.db2.gz YOWNRQYOJUUJJS-HBMCJLEFSA-N 2 0 328.500 3.400 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]Cc1ccccc1 ZINC001170876163 1384403023 /nfs/dbraw/zinc/40/30/23/1384403023.db2.gz DVBAMSFQBPGZCY-UHFFFAOYSA-N 2 0 333.520 3.185 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc2ccccc2)CC[N@@H+]1C ZINC001170877335 1384403322 /nfs/dbraw/zinc/40/33/22/1384403322.db2.gz BRVVPEANTUMAIZ-YSIASYRMSA-N 2 0 345.531 3.182 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(Cl)nc2ccc(C(F)(F)F)cc21 ZINC001170897447 1384407571 /nfs/dbraw/zinc/40/75/71/1384407571.db2.gz HXIWEVBESJIBQH-ZDUSSCGKSA-N 2 0 332.757 3.343 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235649 1384476526 /nfs/dbraw/zinc/47/65/26/1384476526.db2.gz IEJVPZQQNLPLQU-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253767 1384479308 /nfs/dbraw/zinc/47/93/08/1384479308.db2.gz JQJQMNPIFCOUHQ-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001316611204 1384481324 /nfs/dbraw/zinc/48/13/24/1384481324.db2.gz OHKMZZFADSISAA-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001171322214 1384494301 /nfs/dbraw/zinc/49/43/01/1384494301.db2.gz WTOJXTBIQPSIPT-HNNXBMFYSA-N 2 0 335.455 3.254 20 0 EGADRP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC3(C[NH+](C)C3)CC1)CC2 ZINC001171326008 1384495142 /nfs/dbraw/zinc/49/51/42/1384495142.db2.gz INBGXQXYUYBYQL-CQSZACIVSA-N 2 0 334.891 3.234 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001316640778 1384500586 /nfs/dbraw/zinc/50/05/86/1384500586.db2.gz BKPJAPPPGCRBKM-QWFCFKBJSA-N 2 0 343.515 3.108 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439070 1384524007 /nfs/dbraw/zinc/52/40/07/1384524007.db2.gz WBSPYIRXABMEJC-MOPGFXCFSA-N 2 0 346.490 3.258 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001171509566 1384546344 /nfs/dbraw/zinc/54/63/44/1384546344.db2.gz RQRKOGOBAPDLMP-FXAWDEMLSA-N 2 0 347.547 3.354 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171547535 1384559347 /nfs/dbraw/zinc/55/93/47/1384559347.db2.gz UVVJCXZTJNJHBL-WMZOPIPTSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001171585994 1384572155 /nfs/dbraw/zinc/57/21/55/1384572155.db2.gz GSENLITTXUYUFT-KRWDZBQOSA-N 2 0 327.557 3.418 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171613452 1384580763 /nfs/dbraw/zinc/58/07/63/1384580763.db2.gz KDJRZYJCNUKOMN-CQSZACIVSA-N 2 0 339.524 3.237 20 0 EGADRP C[NH+](C)CCOc1ccccc1CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625150 1384583619 /nfs/dbraw/zinc/58/36/19/1384583619.db2.gz CUMSSQLKOVKDTB-UHFFFAOYSA-N 2 0 347.547 3.368 20 0 EGADRP C[C@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@]1(O)C(F)(F)F ZINC001171632066 1384586683 /nfs/dbraw/zinc/58/66/83/1384586683.db2.gz UUHMRTFFANWCBI-BLLLJJGKSA-N 2 0 336.442 3.273 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CCC(C(=O)C(F)(F)F)CC2)CC1(C)C ZINC001171639806 1384588662 /nfs/dbraw/zinc/58/86/62/1384588662.db2.gz UQPLDEJFTDCWLQ-UHFFFAOYSA-N 2 0 334.426 3.481 20 0 EGADRP Cc1cncnc1OC1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641179 1384589437 /nfs/dbraw/zinc/58/94/37/1384589437.db2.gz NIHBNFSTLRHIJP-UHFFFAOYSA-N 2 0 346.519 3.280 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171868573 1384665823 /nfs/dbraw/zinc/66/58/23/1384665823.db2.gz DAEHKUVKKBQZOX-FQEVSTJZSA-N 2 0 343.515 3.003 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001316880970 1384666284 /nfs/dbraw/zinc/66/62/84/1384666284.db2.gz OVSRERGAALQZHQ-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171923216 1384683203 /nfs/dbraw/zinc/68/32/03/1384683203.db2.gz DQBCFEWQNHCCTB-GOSISDBHSA-N 2 0 347.547 3.325 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171924394 1384683898 /nfs/dbraw/zinc/68/38/98/1384683898.db2.gz ODNMELWNPOZKEK-IEBWSBKVSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+]1CCC2(CC[N@@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001171929231 1384685727 /nfs/dbraw/zinc/68/57/27/1384685727.db2.gz AYOZNHATZBLKBI-UHFFFAOYSA-N 2 0 336.520 3.305 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171974723 1384700183 /nfs/dbraw/zinc/70/01/83/1384700183.db2.gz AKNYMGROYHYGJO-VQTJNVASSA-N 2 0 339.483 3.148 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCN2CCC(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171974619 1384700297 /nfs/dbraw/zinc/70/02/97/1384700297.db2.gz IGYXCJIYEBQZHJ-FQEVSTJZSA-N 2 0 347.522 3.453 20 0 EGADRP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974832 1384700983 /nfs/dbraw/zinc/70/09/83/1384700983.db2.gz ATIRWUAOBZPMOQ-GBESFXJTSA-N 2 0 344.499 3.361 20 0 EGADRP CCOC(=O)[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974996 1384701230 /nfs/dbraw/zinc/70/12/30/1384701230.db2.gz JNVREIIGYDWREX-AEFFLSMTSA-N 2 0 332.488 3.218 20 0 EGADRP CN(C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977795 1384702166 /nfs/dbraw/zinc/70/21/66/1384702166.db2.gz UMTXGQJRLHIRHX-HXUWFJFHSA-N 2 0 329.532 3.456 20 0 EGADRP C[NH+]1CCC2(C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987383 1384704979 /nfs/dbraw/zinc/70/49/79/1384704979.db2.gz ULNUIBILQMCXFF-HXUWFJFHSA-N 3 0 341.543 3.457 20 0 EGADRP c1nocc1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172070196 1384717957 /nfs/dbraw/zinc/71/79/57/1384717957.db2.gz MWCKQSJTTWWQLP-OWZKRDHZSA-N 2 0 325.456 3.392 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCc2ccncn2)C3)cc1 ZINC001172079555 1384721337 /nfs/dbraw/zinc/72/13/37/1384721337.db2.gz PDWUFUKEDACIQA-WKCHPHFGSA-N 2 0 336.483 3.194 20 0 EGADRP COC(=O)c1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC001172104936 1384727963 /nfs/dbraw/zinc/72/79/63/1384727963.db2.gz FBAGDFSHRRKPDM-QDMKHBRRSA-N 2 0 336.863 3.232 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccncc3)CCOCC1)C2 ZINC001172112160 1384729632 /nfs/dbraw/zinc/72/96/32/1384729632.db2.gz SQGGLBFVMJTZMD-ACDBMABISA-N 2 0 343.515 3.026 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1cccc(F)c1)C2 ZINC001172115604 1384730784 /nfs/dbraw/zinc/73/07/84/1384730784.db2.gz TUZLFJXENBKHRN-LDLYASANSA-N 2 0 342.462 3.175 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001172116029 1384732733 /nfs/dbraw/zinc/73/27/33/1384732733.db2.gz CUDYMZUHIVJSKW-QZKQXFQVSA-N 2 0 345.556 3.127 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC3(CC[NH2+]CC3)c3ccccc31)C2 ZINC001172129056 1384738193 /nfs/dbraw/zinc/73/81/93/1384738193.db2.gz VVANWAYZFBSCEH-BCDXTJNWSA-N 2 0 325.500 3.143 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172160201 1384739963 /nfs/dbraw/zinc/73/99/63/1384739963.db2.gz SFOZTXIBRBOUIQ-UAFMIMERSA-N 2 0 347.547 3.292 20 0 EGADRP CC(C)COCC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001172465734 1384798616 /nfs/dbraw/zinc/79/86/16/1384798616.db2.gz XPICVTLIQSBHOV-LJQANCHMSA-N 2 0 348.531 3.054 20 0 EGADRP CCCC[C@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172627280 1384822599 /nfs/dbraw/zinc/82/25/99/1384822599.db2.gz OEFXBLHUZLHFED-GRAKBVBRSA-N 2 0 325.497 3.024 20 0 EGADRP CCCC[C@H]1C[C@H]([NH2+]CCCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172639763 1384824832 /nfs/dbraw/zinc/82/48/32/1384824832.db2.gz MZGGMYNEFGTOCP-CVEARBPZSA-N 2 0 327.513 3.273 20 0 EGADRP CC(C)[N@H+](C)Cc1nn(C2CC(C)(C)OC(C)(C)C2)c2c1CC[NH2+]C2 ZINC001172657188 1384827592 /nfs/dbraw/zinc/82/75/92/1384827592.db2.gz OWQJCRDXNGMLDW-UHFFFAOYSA-N 2 0 348.535 3.278 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665809 1384830066 /nfs/dbraw/zinc/83/00/66/1384830066.db2.gz NXBLWAAKADYTFY-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172742668 1384841240 /nfs/dbraw/zinc/84/12/40/1384841240.db2.gz PMKTWLVNNBAWFQ-QGZVFWFLSA-N 2 0 332.488 3.492 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1Cl ZINC001317082068 1384845895 /nfs/dbraw/zinc/84/58/95/1384845895.db2.gz IRZPQLHXSCJAPG-RBSFLKMASA-N 2 0 349.906 3.122 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172829367 1384860347 /nfs/dbraw/zinc/86/03/47/1384860347.db2.gz AKFQSTLXCWOYAL-FCHUYYIVSA-N 2 0 342.527 3.428 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944696 1384885388 /nfs/dbraw/zinc/88/53/88/1384885388.db2.gz YKGNMPULMQPLSJ-INIZCTEOSA-N 2 0 329.529 3.344 20 0 EGADRP CC[NH+](CC)CCCC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172993975 1384896273 /nfs/dbraw/zinc/89/62/73/1384896273.db2.gz PUQQUKCXWOLURN-UHFFFAOYSA-N 2 0 349.494 3.142 20 0 EGADRP C[C@@H]1CC[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173072503 1384907381 /nfs/dbraw/zinc/90/73/81/1384907381.db2.gz WISUGMWIRIKPFS-NVXWUHKLSA-N 2 0 339.524 3.048 20 0 EGADRP CCCOC1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001173090700 1384912461 /nfs/dbraw/zinc/91/24/61/1384912461.db2.gz GDXPLBPJGMRHOW-UHFFFAOYSA-N 2 0 334.504 3.454 20 0 EGADRP CCCOC1CCC([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC1 ZINC001173095136 1384913287 /nfs/dbraw/zinc/91/32/87/1384913287.db2.gz ZTMSBAIGISIZBA-UHFFFAOYSA-N 2 0 327.557 3.200 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3cc(OC)ccn3)CC2)CC1 ZINC001173107141 1384916122 /nfs/dbraw/zinc/91/61/22/1384916122.db2.gz WSSDWHBYNSZQIN-UHFFFAOYSA-N 2 0 331.504 3.364 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001173363236 1384964356 /nfs/dbraw/zinc/96/43/56/1384964356.db2.gz JYYJMIJYIAKRJA-KRWDZBQOSA-N 2 0 333.545 3.130 20 0 EGADRP CCN1CC[C@@H]([N@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001173358803 1384964908 /nfs/dbraw/zinc/96/49/08/1384964908.db2.gz LIUWLUXCQHQIHJ-PTAFHAGTSA-N 2 0 327.516 3.209 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC[C@H]([NH+](Cc3ccccc3)C3CC3)C2)C1 ZINC001173368388 1384965784 /nfs/dbraw/zinc/96/57/84/1384965784.db2.gz PFCYVJFVVWZYKU-RTWAWAEBSA-N 2 0 327.516 3.210 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201449 1384977896 /nfs/dbraw/zinc/97/78/96/1384977896.db2.gz AWNLSYWXYYAMMB-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CC2 ZINC001173606076 1384986989 /nfs/dbraw/zinc/98/69/89/1384986989.db2.gz OCIVJQQZTFUACU-RPTYLJJZSA-N 2 0 338.536 3.489 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2ccc(C[NH+](C)C)cc2)C1 ZINC001173629665 1384991269 /nfs/dbraw/zinc/99/12/69/1384991269.db2.gz CGZKIXFTKJXTPT-MOPGFXCFSA-N 2 0 332.488 3.002 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001173654717 1384996590 /nfs/dbraw/zinc/99/65/90/1384996590.db2.gz SSTLGYPHVBVVRN-QYZOEREBSA-N 2 0 336.520 3.449 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173658562 1384998251 /nfs/dbraw/zinc/99/82/51/1384998251.db2.gz QSSADFRCGHPCSZ-HCXYKTFWSA-N 2 0 336.520 3.447 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]C[C@H](C)CC(C)(C)CC[NH3+])cc1 ZINC001173720217 1385008692 /nfs/dbraw/zinc/00/86/92/1385008692.db2.gz JWTSXNMZYKIXIN-CVEARBPZSA-N 2 0 334.504 3.395 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC001173723512 1385009797 /nfs/dbraw/zinc/00/97/97/1385009797.db2.gz IIGBTMXFCNHOMQ-JTDSTZFVSA-N 2 0 332.488 3.113 20 0 EGADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1cc[nH+]cc1C ZINC001174538126 1385117814 /nfs/dbraw/zinc/11/78/14/1385117814.db2.gz BHBJRLKJVGPNNH-UHFFFAOYSA-N 2 0 340.471 3.095 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317482741 1385179519 /nfs/dbraw/zinc/17/95/19/1385179519.db2.gz WTMXVSHFDDADJO-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175048050 1385186000 /nfs/dbraw/zinc/18/60/00/1385186000.db2.gz FQBBRTGIXJWDNT-ROUUACIJSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001175048689 1385186041 /nfs/dbraw/zinc/18/60/41/1385186041.db2.gz JTAFASPDPQGLGY-HNNXBMFYSA-N 2 0 339.911 3.056 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c(C)c1 ZINC001175057141 1385187470 /nfs/dbraw/zinc/18/74/70/1385187470.db2.gz UVILCRGZGGYORR-LJQANCHMSA-N 2 0 347.547 3.328 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H](C)c1cccc(F)c1 ZINC001317493300 1385194344 /nfs/dbraw/zinc/19/43/44/1385194344.db2.gz VTBJJCUJOQLCLH-QGZVFWFLSA-N 2 0 349.494 3.201 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H](CC)c1ccccc1 ZINC001317511968 1385223048 /nfs/dbraw/zinc/22/30/48/1385223048.db2.gz GHALTFFXTVPPTH-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1)[NH+](CC)CC ZINC001175218211 1385223195 /nfs/dbraw/zinc/22/31/95/1385223195.db2.gz NFYNHBSEPPZTCQ-WMZOPIPTSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1)[NH+](CC)CC ZINC001175218209 1385223259 /nfs/dbraw/zinc/22/32/59/1385223259.db2.gz NFYNHBSEPPZTCQ-FUHWJXTLSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255883 1385230914 /nfs/dbraw/zinc/23/09/14/1385230914.db2.gz IMXLZFUULIENLQ-DLBZAZTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175265025 1385234130 /nfs/dbraw/zinc/23/41/30/1385234130.db2.gz WTRMLHLRKWTTGA-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271370 1385236343 /nfs/dbraw/zinc/23/63/43/1385236343.db2.gz AKWCXHRHTQZZRJ-ADKAHSJRSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175296846 1385242523 /nfs/dbraw/zinc/24/25/23/1385242523.db2.gz QRFHKWVEDRBAMA-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001175317141 1385250689 /nfs/dbraw/zinc/25/06/89/1385250689.db2.gz LQBQHNGZCIKAHU-PBHICJAKSA-N 2 0 339.549 3.161 20 0 EGADRP CCCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001317555891 1385324145 /nfs/dbraw/zinc/32/41/45/1385324145.db2.gz YLYJTTXAOTWZHN-IBGZPJMESA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001175574533 1385336420 /nfs/dbraw/zinc/33/64/20/1385336420.db2.gz XOFZPBUKCMJZHA-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581970 1385339385 /nfs/dbraw/zinc/33/93/85/1385339385.db2.gz WXGYNVNDXKHLJG-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581969 1385339520 /nfs/dbraw/zinc/33/95/20/1385339520.db2.gz WXGYNVNDXKHLJG-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001175787617 1385406238 /nfs/dbraw/zinc/40/62/38/1385406238.db2.gz WBYZVKJJQDFDNV-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192075 1385507295 /nfs/dbraw/zinc/50/72/95/1385507295.db2.gz DJNLFJUUZIVMMV-MRXNPFEDSA-N 2 0 346.519 3.216 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192590 1385508224 /nfs/dbraw/zinc/50/82/24/1385508224.db2.gz MZSZTNUVESTZER-DKRLNXSXSA-N 2 0 346.519 3.382 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176279792 1385536572 /nfs/dbraw/zinc/53/65/72/1385536572.db2.gz QGLWTUMVLHDZRI-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176285721 1385538249 /nfs/dbraw/zinc/53/82/49/1385538249.db2.gz PVKBGRCLVROXMU-XBMUEBEBSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176285244 1385539131 /nfs/dbraw/zinc/53/91/31/1385539131.db2.gz NYIJQPYMMPOPTK-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001176327188 1385552486 /nfs/dbraw/zinc/55/24/86/1385552486.db2.gz CQXJNUCPFVUYIR-KRWDZBQOSA-N 2 0 349.494 3.249 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176759883 1385686875 /nfs/dbraw/zinc/68/68/75/1385686875.db2.gz NPYCXBJJVQYGQE-UYAOXDASSA-N 2 0 345.531 3.326 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccc(F)cc1 ZINC001176992660 1385767588 /nfs/dbraw/zinc/76/75/88/1385767588.db2.gz WZQLUXVWNWFORP-MOPGFXCFSA-N 2 0 349.494 3.247 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997681 1385769013 /nfs/dbraw/zinc/76/90/13/1385769013.db2.gz WSYGYUOFXWYAQW-GHOSXJJBSA-N 2 0 337.552 3.339 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001177317002 1385911347 /nfs/dbraw/zinc/91/13/47/1385911347.db2.gz MBEDOXGSDFAXPL-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001177317349 1385911865 /nfs/dbraw/zinc/91/18/65/1385911865.db2.gz UXBWTNDJEHFMDC-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+]CCC1CCCCC1 ZINC001177332776 1385917712 /nfs/dbraw/zinc/91/77/12/1385917712.db2.gz SIXLMJDQKBQEHG-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177335648 1385918250 /nfs/dbraw/zinc/91/82/50/1385918250.db2.gz IRGGBSFEQHMQMT-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001177339317 1385918849 /nfs/dbraw/zinc/91/88/49/1385918849.db2.gz BVQBEOROVOPPFK-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001177348208 1385923618 /nfs/dbraw/zinc/92/36/18/1385923618.db2.gz CPDIWRLQRMOZJZ-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001177349066 1385924042 /nfs/dbraw/zinc/92/40/42/1385924042.db2.gz WXIIGNCZCFRNMG-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001177375921 1385933938 /nfs/dbraw/zinc/93/39/38/1385933938.db2.gz QQOGZRYGEDMATR-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177402389 1385943930 /nfs/dbraw/zinc/94/39/30/1385943930.db2.gz LATNNEHGCDNMBK-IZZDOVSWSA-N 2 0 343.943 3.079 20 0 EGADRP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+](C)C ZINC001177405017 1385944590 /nfs/dbraw/zinc/94/45/90/1385944590.db2.gz FDOSDMGMUJUGGS-AATRIKPKSA-N 2 0 337.552 3.293 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001177456356 1385962376 /nfs/dbraw/zinc/96/23/76/1385962376.db2.gz RPMHYXZRJKPYFW-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+]1CCCC1 ZINC001177484283 1385973306 /nfs/dbraw/zinc/97/33/06/1385973306.db2.gz AEBUPQTZARZNHV-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177488505 1385975587 /nfs/dbraw/zinc/97/55/87/1385975587.db2.gz HOLQRCRQIFHOGZ-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177489213 1385976525 /nfs/dbraw/zinc/97/65/25/1385976525.db2.gz URLPKPRVIFVGDH-POHAHGRESA-N 2 0 343.943 3.078 20 0 EGADRP CC[C@@H]([NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1)c1ccccc1 ZINC001319374072 1386087723 /nfs/dbraw/zinc/08/77/23/1386087723.db2.gz CRFOZHWMXFYFTM-MOPGFXCFSA-N 2 0 345.531 3.497 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001178490924 1386233944 /nfs/dbraw/zinc/23/39/44/1386233944.db2.gz VFVANVVAVLFIJB-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001178490370 1386233976 /nfs/dbraw/zinc/23/39/76/1386233976.db2.gz LEHIRBKWBCPHIN-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)c1sccc1C[NH+](C)C ZINC001178618318 1386263460 /nfs/dbraw/zinc/26/34/60/1386263460.db2.gz WAMVZCSPTFKYKS-UHFFFAOYSA-N 2 0 339.549 3.490 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001319714907 1386265643 /nfs/dbraw/zinc/26/56/43/1386265643.db2.gz PZAHXSVAEDTMHG-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]Cc2ccccc2F)CCC1 ZINC001178689131 1386279116 /nfs/dbraw/zinc/27/91/16/1386279116.db2.gz UJBWBIMXVRWSOS-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001178693506 1386279494 /nfs/dbraw/zinc/27/94/94/1386279494.db2.gz UQNOGHPKWJARQM-ROUUACIJSA-N 2 0 343.531 3.264 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CCC1=CCCCC1)C1CC1 ZINC001178698606 1386281410 /nfs/dbraw/zinc/28/14/10/1386281410.db2.gz NSSSOZQAENYXDB-FQEVSTJZSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001319764278 1386285805 /nfs/dbraw/zinc/28/58/05/1386285805.db2.gz ZVSNTAUZKXIRNW-INIZCTEOSA-N 2 0 327.447 3.428 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178811695 1386314282 /nfs/dbraw/zinc/31/42/82/1386314282.db2.gz ZBXOXOCQRDDLLR-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001178908580 1386345356 /nfs/dbraw/zinc/34/53/56/1386345356.db2.gz ZEWYNCNIVSMQKC-MRXNPFEDSA-N 2 0 348.466 3.271 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178921068 1386350252 /nfs/dbraw/zinc/35/02/52/1386350252.db2.gz VHCLDQUHXFFXPW-PXAMLJHWSA-N 2 0 343.943 3.126 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178921069 1386350412 /nfs/dbraw/zinc/35/04/12/1386350412.db2.gz VHCLDQUHXFFXPW-SECOEOQKSA-N 2 0 343.943 3.126 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001178971509 1386364645 /nfs/dbraw/zinc/36/46/45/1386364645.db2.gz INLVXJOLVPJTQQ-UHFFFAOYSA-N 2 0 331.548 3.490 20 0 EGADRP CC(C)(C(=O)NCCCCCC[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001179212234 1386424279 /nfs/dbraw/zinc/42/42/79/1386424279.db2.gz IWJWVFKGYCKUBE-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001179234346 1386428426 /nfs/dbraw/zinc/42/84/26/1386428426.db2.gz LJNAHDJSWWXHSN-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179238919 1386428836 /nfs/dbraw/zinc/42/88/36/1386428836.db2.gz HBKPKMQFZQFYQJ-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179362024 1386463159 /nfs/dbraw/zinc/46/31/59/1386463159.db2.gz UNKQRKHLKJJVQV-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(NCCCCCC[NH2+]CCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179362092 1386463830 /nfs/dbraw/zinc/46/38/30/1386463830.db2.gz WRTPFZYWLUXBSC-SFHVURJKSA-N 2 0 341.515 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CC2CCCCC2)C1 ZINC001320035550 1386466599 /nfs/dbraw/zinc/46/65/99/1386466599.db2.gz UBHZWNVLLSJQKD-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC1 ZINC001179393109 1386473770 /nfs/dbraw/zinc/47/37/70/1386473770.db2.gz PTQIRCAOYADZHZ-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001179463691 1386487692 /nfs/dbraw/zinc/48/76/92/1386487692.db2.gz HKAMGDJKEZKWCV-INIZCTEOSA-N 2 0 337.483 3.105 20 0 EGADRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)CCN1C(=O)CC[NH+](C)C ZINC001179472185 1386490898 /nfs/dbraw/zinc/49/08/98/1386490898.db2.gz HZWUITGITQBCTA-LPHOPBHVSA-N 2 0 345.531 3.015 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H]1C)[NH+](CC)CC ZINC001179522031 1386505208 /nfs/dbraw/zinc/50/52/08/1386505208.db2.gz YXNPHYLOZHMVTI-ZYSHUDEJSA-N 2 0 349.494 3.025 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546471 1386510954 /nfs/dbraw/zinc/51/09/54/1386510954.db2.gz QQFDJUVNQYIHEQ-OPDSQHBBSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550202 1386512310 /nfs/dbraw/zinc/51/23/10/1386512310.db2.gz REKYMJSIAHAZJH-BZSNNMDCSA-N 2 0 339.568 3.226 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC=C(C)C)[NH+](CC)CC ZINC001179564597 1386516175 /nfs/dbraw/zinc/51/61/75/1386516175.db2.gz FXMQMWUJOZUFJM-GOSISDBHSA-N 2 0 325.541 3.339 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580828 1386522048 /nfs/dbraw/zinc/52/20/48/1386522048.db2.gz RRRYDXOQYRQHMC-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179585237 1386523046 /nfs/dbraw/zinc/52/30/46/1386523046.db2.gz DXQWAMZJNORTJR-GOSISDBHSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179585457 1386523512 /nfs/dbraw/zinc/52/35/12/1386523512.db2.gz IFTAMWUGUFTUIY-QZTJIDSGSA-N 2 0 339.568 3.277 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179587324 1386524388 /nfs/dbraw/zinc/52/43/88/1386524388.db2.gz YLNQNHAYZGDYJH-UEKDZROGSA-N 2 0 337.552 3.341 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001179746020 1386569839 /nfs/dbraw/zinc/56/98/39/1386569839.db2.gz LMWOBYZTDUEFSO-LJQANCHMSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179746518 1386570683 /nfs/dbraw/zinc/57/06/83/1386570683.db2.gz WMRMAIBGWWTVHI-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001179748541 1386571111 /nfs/dbraw/zinc/57/11/11/1386571111.db2.gz BKFYEUSEKUOAHM-BDNAOYLZSA-N 2 0 337.552 3.434 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001179824782 1386597338 /nfs/dbraw/zinc/59/73/38/1386597338.db2.gz FAGWNCJWBQMAIB-HKUYNNGSSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001179832116 1386600243 /nfs/dbraw/zinc/60/02/43/1386600243.db2.gz QTJDZLCGRUJJJL-UHFFFAOYSA-N 2 0 333.520 3.428 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001179843084 1386604353 /nfs/dbraw/zinc/60/43/53/1386604353.db2.gz RILWJDFOBUKJLF-ZWKOTPCHSA-N 2 0 345.547 3.367 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001320474853 1386620195 /nfs/dbraw/zinc/62/01/95/1386620195.db2.gz BKQLUNMWFPHISI-ZWKOTPCHSA-N 2 0 343.515 3.169 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001179899588 1386622643 /nfs/dbraw/zinc/62/26/43/1386622643.db2.gz ULFAQEJPHAYVEX-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+]C[C@]1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC[C@@H]1C ZINC001698659008 1406309408 /nfs/dbraw/zinc/30/94/08/1406309408.db2.gz BQNZQDLXIKNGAK-OXJNMPFZSA-N 2 0 331.504 3.036 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179988253 1386660069 /nfs/dbraw/zinc/66/00/69/1386660069.db2.gz DUSXXJHKHCJICV-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001179989491 1386660168 /nfs/dbraw/zinc/66/01/68/1386660168.db2.gz ZVRZMPRLAZNFMP-SDNWHVSQSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC1)c1ccccc1 ZINC001180039918 1386677577 /nfs/dbraw/zinc/67/75/77/1386677577.db2.gz QVRLXEXACWAYDM-HXUWFJFHSA-N 2 0 345.531 3.356 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180061145 1386683519 /nfs/dbraw/zinc/68/35/19/1386683519.db2.gz YOMNYSKIRVQDMK-SFHVURJKSA-N 2 0 325.541 3.031 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001180060673 1386683691 /nfs/dbraw/zinc/68/36/91/1386683691.db2.gz KZGHJMLGILJTIY-SFHVURJKSA-N 2 0 339.568 3.421 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001180060698 1386684008 /nfs/dbraw/zinc/68/40/08/1386684008.db2.gz LWIWNBIRLDQURB-IBGZPJMESA-N 2 0 335.536 3.095 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C ZINC001180095768 1386696945 /nfs/dbraw/zinc/69/69/45/1386696945.db2.gz PIRZEQOFQGHVSJ-WAYWQWQTSA-N 2 0 325.541 3.341 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCCCCC[NH2+]CCCCCF ZINC001180100792 1386697969 /nfs/dbraw/zinc/69/79/69/1386697969.db2.gz XLTIPIPBRQRODY-UHFFFAOYSA-N 2 0 331.520 3.124 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001320709733 1386698464 /nfs/dbraw/zinc/69/84/64/1386698464.db2.gz XELKOWUZFYPCAV-MSOLQXFVSA-N 2 0 332.488 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1CC ZINC001180124330 1386704786 /nfs/dbraw/zinc/70/47/86/1386704786.db2.gz VBRRZSUJAUNBNX-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C)c1ccccc1 ZINC001180203981 1386731662 /nfs/dbraw/zinc/73/16/62/1386731662.db2.gz FOWOOCKQMXOUEY-BJLQDIEVSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180273241 1386752492 /nfs/dbraw/zinc/75/24/92/1386752492.db2.gz UZJBPFJZGHPPOA-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCc1cccc(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)c1 ZINC001180274550 1386752512 /nfs/dbraw/zinc/75/25/12/1386752512.db2.gz JWBXDRLBJOKBNK-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCCCCC[NH2+]CC1CCCC1 ZINC001180356630 1386773236 /nfs/dbraw/zinc/77/32/36/1386773236.db2.gz FOVYGSBRJVWZFZ-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001180373104 1386777797 /nfs/dbraw/zinc/77/77/97/1386777797.db2.gz UMSDVZPCFCVXHF-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001180373105 1386777953 /nfs/dbraw/zinc/77/79/53/1386777953.db2.gz UMSDVZPCFCVXHF-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)cn1 ZINC001321070190 1386800101 /nfs/dbraw/zinc/80/01/01/1386800101.db2.gz KSRAWQWMTZGHDG-LJQANCHMSA-N 2 0 338.499 3.251 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC001321074294 1386801557 /nfs/dbraw/zinc/80/15/57/1386801557.db2.gz IFEJQPJWGJADOP-GOSISDBHSA-N 2 0 328.431 3.446 20 0 EGADRP CC(C)CN(C(=O)CC[N@H+](C)Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181141635 1386945060 /nfs/dbraw/zinc/94/50/60/1386945060.db2.gz WDQIWCVHMVHRQW-MXVIHJGJSA-N 2 0 345.531 3.263 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCC34CCCC4)c2)CC1 ZINC001321796938 1386986241 /nfs/dbraw/zinc/98/62/41/1386986241.db2.gz LENIOKGEDWOMLG-HXUWFJFHSA-N 2 0 327.516 3.246 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001181801011 1387056632 /nfs/dbraw/zinc/05/66/32/1387056632.db2.gz JUNGCFAMHHLZGK-IVALQQROSA-N 2 0 337.552 3.003 20 0 EGADRP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007117 1387093373 /nfs/dbraw/zinc/09/33/73/1387093373.db2.gz CJLLBIZQZUDVFE-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322261661 1387126730 /nfs/dbraw/zinc/12/67/30/1387126730.db2.gz JNCXYWUFSUIUPC-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001322282030 1387137697 /nfs/dbraw/zinc/13/76/97/1387137697.db2.gz VDHNEXSJWYAKEQ-YLJYHZDGSA-N 2 0 347.547 3.333 20 0 EGADRP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N(C(C)C)C(C)(C)C[NH3+])C1 ZINC001182344511 1387153343 /nfs/dbraw/zinc/15/33/43/1387153343.db2.gz IJQCAAJFYQDGPF-LJQANCHMSA-N 2 0 345.531 3.181 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@]1(C)C[NH2+]CCC1=CCCCC1 ZINC001182410736 1387162594 /nfs/dbraw/zinc/16/25/94/1387162594.db2.gz PNILCKNETCLQJH-WIYYLYMNSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C ZINC001182767774 1387220915 /nfs/dbraw/zinc/22/09/15/1387220915.db2.gz KSIDGCIVGSUPPS-QWFCFKBJSA-N 2 0 348.535 3.489 20 0 EGADRP CCC(CC)(CNc1nccnc1C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC001336515550 1389116178 /nfs/dbraw/zinc/11/61/78/1389116178.db2.gz APFBTJIYLTXGMV-OAHLLOKOSA-N 2 0 327.476 3.257 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001329472318 1389120144 /nfs/dbraw/zinc/12/01/44/1389120144.db2.gz OMUPHKHEVMWSAI-JXFKEZNVSA-N 2 0 345.531 3.087 20 0 EGADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CC1CCCCCC1 ZINC001329586611 1389167766 /nfs/dbraw/zinc/16/77/66/1389167766.db2.gz DRFYWJSCYZFLQO-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001329600745 1389177121 /nfs/dbraw/zinc/17/71/21/1389177121.db2.gz OMUPHKHEVMWSAI-OXJNMPFZSA-N 2 0 345.531 3.087 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccccc1C ZINC001329952498 1389271687 /nfs/dbraw/zinc/27/16/87/1389271687.db2.gz KOHGDFRQICJWOP-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CCC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001698727007 1406377465 /nfs/dbraw/zinc/37/74/65/1406377465.db2.gz ONCROOJYZOAZET-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CN3C[C@H](C4CCCCC4)CC3=O)C[C@H]2C1 ZINC001337805530 1389448695 /nfs/dbraw/zinc/44/86/95/1389448695.db2.gz MSBAJRIZWDEHDS-UAFMIMERSA-N 2 0 347.547 3.035 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001331291402 1389688371 /nfs/dbraw/zinc/68/83/71/1389688371.db2.gz WRYNXOZBKYEDNW-OXQOHEQNSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CC1CC(C)C1 ZINC001331517823 1389780263 /nfs/dbraw/zinc/78/02/63/1389780263.db2.gz RPZIZEXKPUFSEZ-LXPRWKDFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001331969515 1389929584 /nfs/dbraw/zinc/92/95/84/1389929584.db2.gz ASMQKXQOPKGALE-SFHVURJKSA-N 2 0 326.488 3.164 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001332066123 1389964421 /nfs/dbraw/zinc/96/44/21/1389964421.db2.gz VIUDFFUMTKYMJG-OXJNMPFZSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1CCCC(C)(C)C ZINC001332185861 1390028951 /nfs/dbraw/zinc/02/89/51/1390028951.db2.gz RMBQFRKFPVTTDW-ZWKOTPCHSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001339599996 1390080280 /nfs/dbraw/zinc/08/02/80/1390080280.db2.gz QSJSOYGLMUZYAI-GOSISDBHSA-N 2 0 326.488 3.297 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001333465583 1390311278 /nfs/dbraw/zinc/31/12/78/1390311278.db2.gz LCQPNEFCXQLJGS-HXUWFJFHSA-N 2 0 339.458 3.355 20 0 EGADRP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001340803487 1390371300 /nfs/dbraw/zinc/37/13/00/1390371300.db2.gz LAQUGCCCGNHCTO-RDJZCZTQSA-N 2 0 349.544 3.470 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001333890423 1390431098 /nfs/dbraw/zinc/43/10/98/1390431098.db2.gz CLWWKCAPVVLLHQ-LZLYRXPVSA-N 2 0 342.487 3.151 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001334358036 1390524481 /nfs/dbraw/zinc/52/44/81/1390524481.db2.gz WJSBUBBCKPPMBG-YQQAZPJKSA-N 2 0 328.460 3.140 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001334358034 1390524692 /nfs/dbraw/zinc/52/46/92/1390524692.db2.gz WJSBUBBCKPPMBG-UXLLHSPISA-N 2 0 328.460 3.140 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cn3nc(Cl)c4ccccc43)C[C@@H]2C1 ZINC001334747257 1390579074 /nfs/dbraw/zinc/57/90/74/1390579074.db2.gz HFUQHQDSADKXNQ-QLFBSQMISA-N 2 0 332.879 3.309 20 0 EGADRP CCn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC001334942638 1390624777 /nfs/dbraw/zinc/62/47/77/1390624777.db2.gz YYMYOZUGWOAGCS-UHFFFAOYSA-N 2 0 326.488 3.213 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC001335399415 1390679678 /nfs/dbraw/zinc/67/96/78/1390679678.db2.gz ZYIFNHPDSUASAJ-AWEZNQCLSA-N 2 0 337.895 3.379 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335430100 1390683847 /nfs/dbraw/zinc/68/38/47/1390683847.db2.gz KTHUQTPSIBLHAP-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP Cc1c(C(=O)OC[C@@H]2CCC[N@@H+]2Cc2ccco2)ccc2c[nH+]cn21 ZINC001343351935 1390708805 /nfs/dbraw/zinc/70/88/05/1390708805.db2.gz SNVYXCLOMKSPQR-INIZCTEOSA-N 2 0 339.395 3.057 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc(C[NH+]2CCCCC2)o1 ZINC001343503863 1390718704 /nfs/dbraw/zinc/71/87/04/1390718704.db2.gz CBOGUDINBJOEPL-UHFFFAOYSA-N 2 0 325.412 3.121 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)c(F)c1 ZINC001346289367 1390919944 /nfs/dbraw/zinc/91/99/44/1390919944.db2.gz UAXBEYNXKCNKLH-KDOFPFPSSA-N 2 0 340.870 3.224 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1)c1ccccc1 ZINC001698804525 1406484670 /nfs/dbraw/zinc/48/46/70/1406484670.db2.gz KHZCTGWAQQTMHW-ROUUACIJSA-N 2 0 343.515 3.108 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001349894785 1391382148 /nfs/dbraw/zinc/38/21/48/1391382148.db2.gz TYTONXPZOFIZFW-RTBURBONSA-N 2 0 327.472 3.142 20 0 EGADRP [NH3+]CCCSCCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001353482486 1392020799 /nfs/dbraw/zinc/02/07/99/1392020799.db2.gz MBURFDYPAWTUGN-UHFFFAOYSA-N 2 0 335.517 3.083 20 0 EGADRP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[NH+]1CCCCC1 ZINC001353556312 1392038875 /nfs/dbraw/zinc/03/88/75/1392038875.db2.gz RURHMCVBAGBJMZ-FXAWDEMLSA-N 2 0 343.515 3.100 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480087958 1392578220 /nfs/dbraw/zinc/57/82/20/1392578220.db2.gz CMSZJCABLRUVCH-WARJXXDVSA-N 2 0 337.552 3.099 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001480142140 1392599838 /nfs/dbraw/zinc/59/98/38/1392599838.db2.gz LWYLKGLEPMHXPJ-KKUMJFAQSA-N 2 0 349.906 3.122 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001480304296 1392668197 /nfs/dbraw/zinc/66/81/97/1392668197.db2.gz XEEDUJRHXUAQQL-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001480624585 1392827493 /nfs/dbraw/zinc/82/74/93/1392827493.db2.gz ICGLSCDUESLQRI-HCZHMGAMSA-N 2 0 343.515 3.299 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC001480672913 1392846637 /nfs/dbraw/zinc/84/66/37/1392846637.db2.gz PKNPDNNNVHSHGP-GOSISDBHSA-N 2 0 345.531 3.090 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([N@H+](C)C/C=C\Cl)C2)c1 ZINC001480742450 1392908721 /nfs/dbraw/zinc/90/87/21/1392908721.db2.gz LKTYQEJWPHPUKW-OEPRFQHASA-N 2 0 349.906 3.037 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480864512 1392987922 /nfs/dbraw/zinc/98/79/22/1392987922.db2.gz RFRMIFQPKFJZTI-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001481319889 1393163116 /nfs/dbraw/zinc/16/31/16/1393163116.db2.gz QADSRHHQCLUXDJ-IBGZPJMESA-N 2 0 349.494 3.201 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001490421208 1394223027 /nfs/dbraw/zinc/22/30/27/1394223027.db2.gz IAFQQKJBJXSWMY-XLIONFOSSA-N 2 0 345.531 3.319 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001481510291 1394358922 /nfs/dbraw/zinc/35/89/22/1394358922.db2.gz YUTPUZRJGULTEF-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001481515291 1394363575 /nfs/dbraw/zinc/36/35/75/1394363575.db2.gz JNVALLFTZNTLRC-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481539467 1394400979 /nfs/dbraw/zinc/40/09/79/1394400979.db2.gz PDSKRRJKNAGSBM-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001481753268 1394497703 /nfs/dbraw/zinc/49/77/03/1394497703.db2.gz RCZNLNLKMYDXFA-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481771609 1394515260 /nfs/dbraw/zinc/51/52/60/1394515260.db2.gz OJBHUBXUJWXGFS-LJQANCHMSA-N 2 0 337.552 3.364 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+]Cc2c(C)cccc2C)CCCC1)[NH+](C)C ZINC001481899559 1394586361 /nfs/dbraw/zinc/58/63/61/1394586361.db2.gz APQWOOUROGCILE-LJQANCHMSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@@H](C(=O)NC1(C)CC[NH+]([C@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001483971562 1395169397 /nfs/dbraw/zinc/16/93/97/1395169397.db2.gz TWFMDPBRUSBPGD-MJGOQNOKSA-N 2 0 345.531 3.367 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001484723345 1395486430 /nfs/dbraw/zinc/48/64/30/1395486430.db2.gz NRQVMVARADAYFB-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001484886502 1395585040 /nfs/dbraw/zinc/58/50/40/1395585040.db2.gz DLEGRPHBLDZNFR-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001505410356 1396294121 /nfs/dbraw/zinc/29/41/21/1396294121.db2.gz IATDIZNABCUQGB-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)CC1CCC(C)(C)CC1 ZINC001492967782 1396330322 /nfs/dbraw/zinc/33/03/22/1396330322.db2.gz PPTWGMUPXCAUAD-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001493830081 1396343450 /nfs/dbraw/zinc/34/34/50/1396343450.db2.gz MIIRSHLPPNHZGK-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@H](C)c2ccccc2F)CCCC1 ZINC001495953121 1396576881 /nfs/dbraw/zinc/57/68/81/1396576881.db2.gz QAMHRUAVQNQZEJ-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001496145455 1396611037 /nfs/dbraw/zinc/61/10/37/1396611037.db2.gz PVKBPCBHBQDJTN-MAUKXSAKSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC001690027717 1404266212 /nfs/dbraw/zinc/26/62/12/1404266212.db2.gz WWDWECWERYZZCH-HXUWFJFHSA-N 2 0 345.531 3.004 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001690030630 1404269555 /nfs/dbraw/zinc/26/95/55/1404269555.db2.gz CIGMQDQQZKQYSE-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001690051665 1404284071 /nfs/dbraw/zinc/28/40/71/1404284071.db2.gz LZPOTGRHLWQVFS-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001690312642 1404469366 /nfs/dbraw/zinc/46/93/66/1404469366.db2.gz YYSAWSZONLWSDZ-IHWFROFDSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001690540508 1404626942 /nfs/dbraw/zinc/62/69/42/1404626942.db2.gz QCLQONFCZFTGPF-VNCLNFNDSA-N 2 0 349.494 3.246 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001690784260 1404731415 /nfs/dbraw/zinc/73/14/15/1404731415.db2.gz IXUKBIRHUNAOAN-MOPGFXCFSA-N 2 0 349.494 3.015 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001690784854 1404732344 /nfs/dbraw/zinc/73/23/44/1404732344.db2.gz NPRFERPHSZXVJN-RHYMJRRZSA-N 2 0 343.515 3.059 20 0 EGADRP CCc1ccc(C[NH+](C)[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001690822628 1404758598 /nfs/dbraw/zinc/75/85/98/1404758598.db2.gz JXLQLMXLBDCHES-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001690825039 1404762416 /nfs/dbraw/zinc/76/24/16/1404762416.db2.gz QCNNSGAAOKGWCV-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001690951630 1404861284 /nfs/dbraw/zinc/86/12/84/1404861284.db2.gz UFGDVUTXYRPSDJ-QFBILLFUSA-N 2 0 347.547 3.433 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)CCC[NH+]1CCCC1 ZINC001691075110 1405008433 /nfs/dbraw/zinc/00/84/33/1405008433.db2.gz OHMYMQGRTOJXHA-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001691102858 1405042139 /nfs/dbraw/zinc/04/21/39/1405042139.db2.gz QJKANIHWKYGWPV-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001691317582 1405203976 /nfs/dbraw/zinc/20/39/76/1405203976.db2.gz ZMZXVOMDXZVIDY-RBUKOAKNSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001731678632 1427726561 /nfs/dbraw/zinc/72/65/61/1427726561.db2.gz CYHDQHVWVUJUES-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731770418 1427881256 /nfs/dbraw/zinc/88/12/56/1427881256.db2.gz VMSDDLRPAVUIDX-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1C ZINC001731813647 1428003579 /nfs/dbraw/zinc/00/35/79/1428003579.db2.gz SUZATFRMNGFFSF-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC001731899146 1428164933 /nfs/dbraw/zinc/16/49/33/1428164933.db2.gz SIBUCZHXBCYRHV-UZLBHIALSA-N 2 0 339.483 3.043 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732152797 1428396579 /nfs/dbraw/zinc/39/65/79/1428396579.db2.gz NGVPYYDGMKVIQW-XFHJGTJQSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001732216780 1428464291 /nfs/dbraw/zinc/46/42/91/1428464291.db2.gz FVTYQVWVYQDVQR-AZUAARDMSA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001732216782 1428464375 /nfs/dbraw/zinc/46/43/75/1428464375.db2.gz FVTYQVWVYQDVQR-QUCCMNQESA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001732275569 1428509581 /nfs/dbraw/zinc/50/95/81/1428509581.db2.gz DYUUVQDGJXESIF-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[NH2+]C(C)C)CC2)o1 ZINC001732303523 1428520525 /nfs/dbraw/zinc/52/05/25/1428520525.db2.gz SHEIBNMWILRLCE-UHFFFAOYSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001732329349 1428535845 /nfs/dbraw/zinc/53/58/45/1428535845.db2.gz CTKBDGRYGKOMOQ-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001699481225 1412875318 /nfs/dbraw/zinc/87/53/18/1412875318.db2.gz GIWAPCODGGYBEZ-WOJBJXKFSA-N 2 0 345.531 3.101 20 0 EGADRP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001699687342 1413087046 /nfs/dbraw/zinc/08/70/46/1413087046.db2.gz DQHHDFOXHPHIFA-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC)CC2)c1ccccc1 ZINC001699700110 1413112146 /nfs/dbraw/zinc/11/21/46/1413112146.db2.gz MEYNIHZHOSDEEE-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001700324891 1413793672 /nfs/dbraw/zinc/79/36/72/1413793672.db2.gz MUFZFUCNKAJNLY-INIZCTEOSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700439879 1414011316 /nfs/dbraw/zinc/01/13/16/1414011316.db2.gz FBKOHHYWHCJFSE-RCCFBDPRSA-N 2 0 339.568 3.083 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700527733 1414191799 /nfs/dbraw/zinc/19/17/99/1414191799.db2.gz ZEGIBUFROXVNGV-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)c(F)c1 ZINC001701064302 1414721689 /nfs/dbraw/zinc/72/16/89/1414721689.db2.gz DYJVAMJXJQJLMT-UHFFFAOYSA-N 2 0 349.494 3.206 20 0 EGADRP Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH2+]C(C)C)ccc2c[nH+]cn21 ZINC001707133914 1417215793 /nfs/dbraw/zinc/21/57/93/1417215793.db2.gz MAUGJPYKBXDKPM-KXBFYZLASA-N 2 0 342.487 3.272 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001713064495 1417623120 /nfs/dbraw/zinc/62/31/20/1417623120.db2.gz SBQYONJSSAINOO-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCCC[NH+]1CCC(N(CCC)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001713102035 1417656185 /nfs/dbraw/zinc/65/61/85/1417656185.db2.gz KBEGWQYFLYLWNU-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713171760 1417744805 /nfs/dbraw/zinc/74/48/05/1417744805.db2.gz FCZWVGAERBUYHF-WDSOQIARSA-N 2 0 337.552 3.026 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCCC(C)(C)C ZINC001713469256 1418135036 /nfs/dbraw/zinc/13/50/36/1418135036.db2.gz FHJGJUGLVVZDSF-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H](C)c1cccc(C)c1 ZINC001713497487 1418208909 /nfs/dbraw/zinc/20/89/09/1418208909.db2.gz PEKDZEFHNHREJB-IBGZPJMESA-N 2 0 345.531 3.370 20 0 EGADRP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)Cc1csc(C)c1 ZINC001713547818 1418321599 /nfs/dbraw/zinc/32/15/99/1418321599.db2.gz KWIFEELSVRCIEH-UHFFFAOYSA-N 2 0 349.544 3.013 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)c1cccc(Cl)c1 ZINC001713610250 1418392533 /nfs/dbraw/zinc/39/25/33/1418392533.db2.gz NSHVTCSWPIXWMW-HNNXBMFYSA-N 2 0 349.906 3.077 20 0 EGADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCCc2ccccc21)[NH+](CC)CC ZINC001713633340 1418402889 /nfs/dbraw/zinc/40/28/89/1418402889.db2.gz JDYVNIASYKDSJY-VQTJNVASSA-N 2 0 345.531 3.232 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001713826092 1418626266 /nfs/dbraw/zinc/62/62/66/1418626266.db2.gz ULAWJPTYSOPQQG-HMTUNPETSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CC2CCC(C)(C)CC2)C2CC2)CCC1 ZINC001733171134 1429273616 /nfs/dbraw/zinc/27/36/16/1429273616.db2.gz AFTIYVBEJFJUOH-GOSISDBHSA-N 2 0 349.563 3.172 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001713853773 1418650935 /nfs/dbraw/zinc/65/09/35/1418650935.db2.gz SICRDPXSPPNAIC-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001713965137 1418744636 /nfs/dbraw/zinc/74/46/36/1418744636.db2.gz YNTACIRQJHNCJK-BJLQDIEVSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001714078527 1418872922 /nfs/dbraw/zinc/87/29/22/1418872922.db2.gz CYBYMTGETGZSIN-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](CNC(=O)CCc1c[nH]cn1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001714080915 1418874727 /nfs/dbraw/zinc/87/47/27/1418874727.db2.gz SUYDNUFJVFIYSM-UONOGXRCSA-N 2 0 348.878 3.241 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001714140028 1418942479 /nfs/dbraw/zinc/94/24/79/1418942479.db2.gz RZYUJRKHVWRGNE-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001714197659 1419002751 /nfs/dbraw/zinc/00/27/51/1419002751.db2.gz OAEZEWFCKXQVBP-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714289453 1419068084 /nfs/dbraw/zinc/06/80/84/1419068084.db2.gz KDMTVXKOTWNHBU-IRXDYDNUSA-N 2 0 347.547 3.481 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001714313497 1419094269 /nfs/dbraw/zinc/09/42/69/1419094269.db2.gz KSUZESLUQOFBFI-ULQDDVLXSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2C)CC1)[NH+](C)C ZINC001714313686 1419094593 /nfs/dbraw/zinc/09/45/93/1419094593.db2.gz OKJFJXBYLAZLGO-VAMGGRTRSA-N 2 0 345.531 3.161 20 0 EGADRP CCC(CC)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001714328606 1419107668 /nfs/dbraw/zinc/10/76/68/1419107668.db2.gz ICGXFJKXLZOZQY-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714453742 1419186384 /nfs/dbraw/zinc/18/63/84/1419186384.db2.gz KVLHDJWBXUFGMT-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001714493504 1419216943 /nfs/dbraw/zinc/21/69/43/1419216943.db2.gz VMBCUJBOFIBUKR-RCCFBDPRSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001714500398 1419226143 /nfs/dbraw/zinc/22/61/43/1419226143.db2.gz NVSUWZSNNWXXKX-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)c1cccc(C)c1 ZINC001714589964 1419336483 /nfs/dbraw/zinc/33/64/83/1419336483.db2.gz QZVJKCVLIFOKGR-IEBWSBKVSA-N 2 0 333.520 3.080 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[N@H+](CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001714669832 1419458941 /nfs/dbraw/zinc/45/89/41/1419458941.db2.gz QMDUNZDBFJAURV-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001714749672 1419493049 /nfs/dbraw/zinc/49/30/49/1419493049.db2.gz LHHVKEIDUQVVGN-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001714769684 1419500506 /nfs/dbraw/zinc/50/05/06/1419500506.db2.gz FPCXVDPFPYUCKY-FXAWDEMLSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1c(C(=O)NC[C@H]([NH2+]CC2CC2)c2ccccc2)ccc2c[nH+]cn21 ZINC001714846735 1419558879 /nfs/dbraw/zinc/55/88/79/1419558879.db2.gz LEIDXNIVZDJION-FQEVSTJZSA-N 2 0 348.450 3.113 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714881377 1419618488 /nfs/dbraw/zinc/61/84/88/1419618488.db2.gz AZNRSVNBTWUSEK-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001715042253 1419781277 /nfs/dbraw/zinc/78/12/77/1419781277.db2.gz BDRJYYXSQAOSMP-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001715048413 1419789532 /nfs/dbraw/zinc/78/95/32/1419789532.db2.gz YGPFOHQVGWOZJC-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001715048542 1419789958 /nfs/dbraw/zinc/78/99/58/1419789958.db2.gz UQUJZRNLWIKLMX-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001715081958 1419818518 /nfs/dbraw/zinc/81/85/18/1419818518.db2.gz CSHUBQVEYWPIML-UYAOXDASSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715453714 1420135912 /nfs/dbraw/zinc/13/59/12/1420135912.db2.gz BNVIUSMJZQLPEU-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001715457435 1420138443 /nfs/dbraw/zinc/13/84/43/1420138443.db2.gz PMKCCKJEQXRYMB-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001716001707 1420455510 /nfs/dbraw/zinc/45/55/10/1420455510.db2.gz YTEBVDORGCSOLY-IRXDYDNUSA-N 2 0 341.499 3.337 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccccc1 ZINC001716220402 1420570655 /nfs/dbraw/zinc/57/06/55/1420570655.db2.gz PKLYEUQKVOANOK-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001716424192 1420651667 /nfs/dbraw/zinc/65/16/67/1420651667.db2.gz XUALYRXOUVMUOU-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001716850728 1420981637 /nfs/dbraw/zinc/98/16/37/1420981637.db2.gz QFJGWWAPYMEHBI-HXUWFJFHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001716902689 1421035130 /nfs/dbraw/zinc/03/51/30/1421035130.db2.gz LVZXDBKDUFEEMK-HXUWFJFHSA-N 2 0 349.519 3.363 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC001717333642 1421269860 /nfs/dbraw/zinc/26/98/60/1421269860.db2.gz KDBIVZJULCTXIZ-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717377085 1421319865 /nfs/dbraw/zinc/31/98/65/1421319865.db2.gz GGMWRRIWGJDYTM-UXHICEINSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001717543250 1421483928 /nfs/dbraw/zinc/48/39/28/1421483928.db2.gz UJJHLUQKKOVSRD-LJQANCHMSA-N 2 0 337.552 3.413 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001717859819 1421671752 /nfs/dbraw/zinc/67/17/52/1421671752.db2.gz FOJDHQIIDPJLFP-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)[C@H]1C ZINC001717859648 1421672016 /nfs/dbraw/zinc/67/20/16/1421672016.db2.gz CSRDBDCZWZLLFX-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccccc1C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001733412386 1429612982 /nfs/dbraw/zinc/61/29/82/1429612982.db2.gz MTNOWJPDOYMSCZ-OAQYLSRUSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001733769031 1429995828 /nfs/dbraw/zinc/99/58/28/1429995828.db2.gz LUAOCKXEDYXISS-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724238472 1424749309 /nfs/dbraw/zinc/74/93/09/1424749309.db2.gz DXGFERCUODEIJC-RXVVDRJESA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C)CC1 ZINC001724755490 1425126142 /nfs/dbraw/zinc/12/61/42/1425126142.db2.gz WVPCXTHQMIOIPD-KESTWPANSA-N 2 0 345.531 3.101 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001724802009 1425170608 /nfs/dbraw/zinc/17/06/08/1425170608.db2.gz ZCWYAWFRIMSAIU-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CCc1ccc(C[N@H+](C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001724850091 1425210663 /nfs/dbraw/zinc/21/06/63/1425210663.db2.gz DUZYCQMWMMYKFL-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCCC1)C1CC([NH2+]CC2CCCCC2)C1 ZINC001725790941 1426476431 /nfs/dbraw/zinc/47/64/31/1426476431.db2.gz RVGCHHJAZJEJRY-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001731352326 1427291353 /nfs/dbraw/zinc/29/13/53/1427291353.db2.gz MUDFCBLKICWCMY-KRWDZBQOSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731457194 1427433500 /nfs/dbraw/zinc/43/35/00/1427433500.db2.gz KXQBTAZPXDRRMX-VJANTYMQSA-N 2 0 337.552 3.170 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001731573874 1427617026 /nfs/dbraw/zinc/61/70/26/1427617026.db2.gz RUOMLLYQLIDSPE-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001731619443 1427667823 /nfs/dbraw/zinc/66/78/23/1427667823.db2.gz WSYCSACCXMSVHA-SFHVURJKSA-N 2 0 347.547 3.184 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001731721594 1427791305 /nfs/dbraw/zinc/79/13/05/1427791305.db2.gz VIYCDFGXKAKTSA-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)c(C)c1 ZINC001731830738 1428040252 /nfs/dbraw/zinc/04/02/52/1428040252.db2.gz NPECNJZFMUFAQY-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC1CCCCCC1 ZINC001731868544 1428119609 /nfs/dbraw/zinc/11/96/09/1428119609.db2.gz AFOZBIQTCLVPKJ-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001733661811 1429854156 /nfs/dbraw/zinc/85/41/56/1429854156.db2.gz LAEVOAYBCXIVDO-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001733670569 1429864597 /nfs/dbraw/zinc/86/45/97/1429864597.db2.gz LWFIFIZFHRWONY-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](C/C=C/c2ccccc2)CC1 ZINC001733770578 1430000867 /nfs/dbraw/zinc/00/08/67/1430000867.db2.gz UDYMMYKUHBCQOZ-WUTDNEBXSA-N 2 0 343.515 3.012 20 0 EGADRP CN(CCC[N@H+](C)[C@@H]1CCCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001733775459 1430019590 /nfs/dbraw/zinc/01/95/90/1430019590.db2.gz GEDWWZXHKTXHJQ-HXUWFJFHSA-N 2 0 345.531 3.186 20 0 EGADRP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001734012344 1437803867 /nfs/dbraw/zinc/80/38/67/1437803867.db2.gz VFRLSDRADKNPGF-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734105012 1437891116 /nfs/dbraw/zinc/89/11/16/1437891116.db2.gz ZEIOXGBXOZLHQD-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001734356661 1438073749 /nfs/dbraw/zinc/07/37/49/1438073749.db2.gz NIQAKZSRLZAQIJ-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001734462636 1438119004 /nfs/dbraw/zinc/11/90/04/1438119004.db2.gz UNIPWQOKOUONQT-APWZRJJASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cccc(F)c1 ZINC001751974570 1440129943 /nfs/dbraw/zinc/12/99/43/1440129943.db2.gz HTSBRERHJZDTPW-APWZRJJASA-N 2 0 349.494 3.198 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001752078203 1440138732 /nfs/dbraw/zinc/13/87/32/1440138732.db2.gz QNAUHEZMIRMVJJ-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001752159593 1440148522 /nfs/dbraw/zinc/14/85/22/1440148522.db2.gz RDYFIGRZTBGPDQ-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001752442296 1440181559 /nfs/dbraw/zinc/18/15/59/1440181559.db2.gz SQYCEEUEPQATLH-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC1CCC(C[NH2+][C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C2CC2)CC1 ZINC001752491175 1440186837 /nfs/dbraw/zinc/18/68/37/1440186837.db2.gz PJQKJTRYXGJIBT-NLPFYKDJSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001752500701 1440188370 /nfs/dbraw/zinc/18/83/70/1440188370.db2.gz XYDABTSWYLVPFI-VQTJNVASSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752732030 1440204094 /nfs/dbraw/zinc/20/40/94/1440204094.db2.gz YCWCAAYNWVASTA-QRVBRYPASA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001752785598 1440211083 /nfs/dbraw/zinc/21/10/83/1440211083.db2.gz CCWWRMRJMVXNCU-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001752787995 1440212193 /nfs/dbraw/zinc/21/21/93/1440212193.db2.gz YTJKQIAZXFHSFV-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC(C)C ZINC001752834445 1440227148 /nfs/dbraw/zinc/22/71/48/1440227148.db2.gz SDHZKQLKLPTTCK-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001752849893 1440233280 /nfs/dbraw/zinc/23/32/80/1440233280.db2.gz BIIRALDZTWXRRW-CTWPCTMYSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752900663 1440242812 /nfs/dbraw/zinc/24/28/12/1440242812.db2.gz JZADCCNWCGKVRO-RQUZMNLWSA-N 2 0 341.515 3.040 20 0 EGADRP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CCC1CCCCC1 ZINC001752910572 1440245263 /nfs/dbraw/zinc/24/52/63/1440245263.db2.gz FBSVPERTNHNMNZ-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001752983874 1440257643 /nfs/dbraw/zinc/25/76/43/1440257643.db2.gz QFAXOESQVOODAP-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP CC/C=C\CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001752991989 1440259658 /nfs/dbraw/zinc/25/96/58/1440259658.db2.gz BXLJTNUDULHTHB-PWBPZBFBSA-N 2 0 335.536 3.140 20 0 EGADRP Cc1cccc([C@H](C)[NH+](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001752999438 1440263777 /nfs/dbraw/zinc/26/37/77/1440263777.db2.gz ADMHXPQMVNTNED-AZUAARDMSA-N 2 0 345.531 3.319 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001753008977 1440266393 /nfs/dbraw/zinc/26/63/93/1440266393.db2.gz XAFNFHARJJBJNG-UYAOXDASSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001753014458 1440268084 /nfs/dbraw/zinc/26/80/84/1440268084.db2.gz MXALLFHNJMONIK-SJORKVTESA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CCCCC1 ZINC001753020671 1440269884 /nfs/dbraw/zinc/26/98/84/1440269884.db2.gz WLDWXHSBIOEALY-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001753030747 1440272707 /nfs/dbraw/zinc/27/27/07/1440272707.db2.gz DOBMXPQXSXOHBF-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CCC1 ZINC001753052466 1440279840 /nfs/dbraw/zinc/27/98/40/1440279840.db2.gz CPDZUEIKVCPAAF-UHFFFAOYSA-N 2 0 345.531 3.016 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001753056279 1440281585 /nfs/dbraw/zinc/28/15/85/1440281585.db2.gz ZGOIEDHOQGQNTJ-QFBILLFUSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753059838 1440282802 /nfs/dbraw/zinc/28/28/02/1440282802.db2.gz WZLZXYITIXOUFD-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001753112506 1440309331 /nfs/dbraw/zinc/30/93/31/1440309331.db2.gz FBWHQNZRASCFRD-WMZOPIPTSA-N 2 0 349.544 3.093 20 0 EGADRP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)c1ccccc1 ZINC001753145260 1440323976 /nfs/dbraw/zinc/32/39/76/1440323976.db2.gz BJQBDXGRSKUNTB-GOSISDBHSA-N 2 0 343.515 3.204 20 0 EGADRP Cc1c(C(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)ccc2c[nH+]cn21 ZINC001753157534 1440331761 /nfs/dbraw/zinc/33/17/61/1440331761.db2.gz NFJABJHTRQMLSM-UHFFFAOYSA-N 2 0 342.487 3.273 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001753275663 1440346173 /nfs/dbraw/zinc/34/61/73/1440346173.db2.gz YNFCJBIOWWEFPK-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001753337133 1440372998 /nfs/dbraw/zinc/37/29/98/1440372998.db2.gz HOXGQBNVXHWPOT-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753339354 1440374354 /nfs/dbraw/zinc/37/43/54/1440374354.db2.gz OLURCIKCUXINTQ-FQEVSTJZSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001753357973 1440381054 /nfs/dbraw/zinc/38/10/54/1440381054.db2.gz IUFZHLCQAAHCNT-SJORKVTESA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001753365990 1440385244 /nfs/dbraw/zinc/38/52/44/1440385244.db2.gz UKKHTQTWLGHKRB-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368452 1440386717 /nfs/dbraw/zinc/38/67/17/1440386717.db2.gz WOCKXFZPJOBODU-CEXWTWQISA-N 2 0 349.494 3.198 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753439589 1440401364 /nfs/dbraw/zinc/40/13/64/1440401364.db2.gz OWWANCMBXDDYSP-RTBURBONSA-N 2 0 335.536 3.116 20 0 EGADRP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1)c1ccccc1 ZINC001753503801 1440424031 /nfs/dbraw/zinc/42/40/31/1440424031.db2.gz SSMPYNUNNSPWPR-ZHALLVOQSA-N 2 0 343.515 3.106 20 0 EGADRP Cc1cccc(C[NH2+]C[C@]2(NC(=O)CC[NH+](C)C)CCCC[C@H]2C)c1 ZINC001753536305 1440432745 /nfs/dbraw/zinc/43/27/45/1440432745.db2.gz SCJUYTPWJOULMC-WIYYLYMNSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001753547924 1440434547 /nfs/dbraw/zinc/43/45/47/1440434547.db2.gz JQYHJXSDVPMWBZ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001753549851 1440434781 /nfs/dbraw/zinc/43/47/81/1440434781.db2.gz FMYNBMZPCNQFHZ-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001753568999 1440438069 /nfs/dbraw/zinc/43/80/69/1440438069.db2.gz KTJDZFOQNHSDHT-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP C[N@H+](CC(=O)NCc1ccc(C[NH2+]CCC(C)(C)C)cc1)C1CCC1 ZINC001753589245 1440442326 /nfs/dbraw/zinc/44/23/26/1440442326.db2.gz RXPZVPCNQCETHD-UHFFFAOYSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH2+]CC1CCCC1 ZINC001753641540 1440454541 /nfs/dbraw/zinc/45/45/41/1440454541.db2.gz XJNZTGYZKIUKTK-XLIONFOSSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001753730093 1440475704 /nfs/dbraw/zinc/47/57/04/1440475704.db2.gz VAEGSTQBOBVENT-DLBZAZTESA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001753740722 1440479088 /nfs/dbraw/zinc/47/90/88/1440479088.db2.gz ZYYASLMLCNORIF-MOPGFXCFSA-N 2 0 337.552 3.336 20 0 EGADRP CC1CC(C[NH2+]C[C@H](NC(=O)C2([NH+](C)C)CCC2)C2CCCCC2)C1 ZINC001753746279 1440481030 /nfs/dbraw/zinc/48/10/30/1440481030.db2.gz RSFMASNZBGVGBN-TVPLGVNVSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001753749615 1440482119 /nfs/dbraw/zinc/48/21/19/1440482119.db2.gz MWRJIOAXCLEMCM-OALUTQOASA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753794669 1440489444 /nfs/dbraw/zinc/48/94/44/1440489444.db2.gz QCBBYKKDESMKTJ-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001753864360 1440513264 /nfs/dbraw/zinc/51/32/64/1440513264.db2.gz ISOBKLOFICEWTJ-OALUTQOASA-N 2 0 339.568 3.322 20 0 EGADRP C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCC(C)(C)C)C2)CC1 ZINC001753876117 1440519412 /nfs/dbraw/zinc/51/94/12/1440519412.db2.gz RABLMMLEGNCXRX-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753878141 1440519841 /nfs/dbraw/zinc/51/98/41/1440519841.db2.gz NXPIQTGCCRMUTG-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001753878095 1440519955 /nfs/dbraw/zinc/51/99/55/1440519955.db2.gz NNSTYNVILJLMHR-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC2CCCCC2)CCC1 ZINC001753886754 1440521257 /nfs/dbraw/zinc/52/12/57/1440521257.db2.gz DKXCABHPFPFIMH-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001753903039 1440523721 /nfs/dbraw/zinc/52/37/21/1440523721.db2.gz UWBBFCMUNPXZKS-VQTJNVASSA-N 2 0 347.547 3.237 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001753971155 1440527129 /nfs/dbraw/zinc/52/71/29/1440527129.db2.gz SLPYZUJIJGTPJF-ROUUACIJSA-N 2 0 345.531 3.333 20 0 EGADRP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754070486 1440538051 /nfs/dbraw/zinc/53/80/51/1440538051.db2.gz CBRUJDYAHCFUTK-SFHVURJKSA-N 2 0 335.536 3.189 20 0 EGADRP CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001754084923 1440540146 /nfs/dbraw/zinc/54/01/46/1440540146.db2.gz QFMBEPBFZMJXCI-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001754209111 1440550986 /nfs/dbraw/zinc/55/09/86/1440550986.db2.gz DTDWIPXCHLKBKU-VZSQWMKGSA-N 2 0 343.515 3.194 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001754250313 1440557783 /nfs/dbraw/zinc/55/77/83/1440557783.db2.gz YMUHNFVOVQJXSF-IAGOWNOFSA-N 2 0 341.499 3.337 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001754280080 1440562971 /nfs/dbraw/zinc/56/29/71/1440562971.db2.gz IAPBSQRIIXWCLQ-RBUKOAKNSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1=CCCCC1 ZINC001754314061 1440574504 /nfs/dbraw/zinc/57/45/04/1440574504.db2.gz JRQRNFNFAZJIIO-MJGOQNOKSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001754324246 1440579828 /nfs/dbraw/zinc/57/98/28/1440579828.db2.gz QWTPASSPPIHROV-PKOBYXMFSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH+](C)CC=C(C)C)c1ccccc1 ZINC001754330395 1440583411 /nfs/dbraw/zinc/58/34/11/1440583411.db2.gz KWTPOKJIHKTRCU-IEBWSBKVSA-N 2 0 331.504 3.082 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001754348705 1440590357 /nfs/dbraw/zinc/59/03/57/1440590357.db2.gz MGEYYCKYPNNSSD-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001754396145 1440594541 /nfs/dbraw/zinc/59/45/41/1440594541.db2.gz CZBFNRNFBZMVPC-YOEHRIQHSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001754442359 1440599463 /nfs/dbraw/zinc/59/94/63/1440599463.db2.gz FSNRIVHGKZKYKQ-QFBILLFUSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001754495157 1440611735 /nfs/dbraw/zinc/61/17/35/1440611735.db2.gz GITUGYVWIVNRGC-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001754499773 1440613834 /nfs/dbraw/zinc/61/38/34/1440613834.db2.gz DPUUIGJMBQGSED-OALUTQOASA-N 2 0 345.531 3.287 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001754535793 1440624248 /nfs/dbraw/zinc/62/42/48/1440624248.db2.gz NGZBLFPHGFCAAH-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754537895 1440625273 /nfs/dbraw/zinc/62/52/73/1440625273.db2.gz FYOFDGFCKKIGAC-PXDRNWIDSA-N 2 0 349.563 3.243 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001754568957 1440636813 /nfs/dbraw/zinc/63/68/13/1440636813.db2.gz IJNGGCBAKZUMQW-YOXWTLATSA-N 2 0 347.547 3.143 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001754604878 1440643070 /nfs/dbraw/zinc/64/30/70/1440643070.db2.gz SHFNNYYHXSTOBE-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001754626887 1440646473 /nfs/dbraw/zinc/64/64/73/1440646473.db2.gz RMBUKMHNERWHIS-KRWDZBQOSA-N 2 0 343.515 3.203 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001754700977 1440667989 /nfs/dbraw/zinc/66/79/89/1440667989.db2.gz PDWLGSKOFBRVFF-NRFANRHFSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001754703716 1440668443 /nfs/dbraw/zinc/66/84/43/1440668443.db2.gz TTYBIPAONVSLST-HFSMHLIXSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754728347 1440677558 /nfs/dbraw/zinc/67/75/58/1440677558.db2.gz UAOAFKKHRLTOIV-IAWJQODMSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC=C(C)C)C1)[NH+](CC)CC ZINC001754730250 1440678668 /nfs/dbraw/zinc/67/86/68/1440678668.db2.gz DKSPZBWYVLKRIM-UYAOXDASSA-N 2 0 337.552 3.291 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001754797776 1440689865 /nfs/dbraw/zinc/68/98/65/1440689865.db2.gz TVZDBZAYXCMKKG-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754800400 1440690365 /nfs/dbraw/zinc/69/03/65/1440690365.db2.gz UERZUHIYUOJIRF-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@H](C)[NH2+]CC2CCCC2)cc1)[NH+](C)C ZINC001754948634 1440714221 /nfs/dbraw/zinc/71/42/21/1440714221.db2.gz MBAZRMQMLPDDFC-JXFKEZNVSA-N 2 0 345.531 3.484 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001754961693 1440717731 /nfs/dbraw/zinc/71/77/31/1440717731.db2.gz CRJMQGDXCYDWCO-SFFCAUCYSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001754982614 1440721693 /nfs/dbraw/zinc/72/16/93/1440721693.db2.gz XOGPVAJTVMDRNZ-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001754992639 1440725027 /nfs/dbraw/zinc/72/50/27/1440725027.db2.gz KVIYLJKKHLCRGK-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001755024785 1440728072 /nfs/dbraw/zinc/72/80/72/1440728072.db2.gz IPXGPZMYTNUCSJ-JCMVTEASSA-N 2 0 337.552 3.290 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001755028351 1440730110 /nfs/dbraw/zinc/73/01/10/1440730110.db2.gz MGVGURGJCKHTSV-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755045555 1440740602 /nfs/dbraw/zinc/74/06/02/1440740602.db2.gz ZQSDOOJNVDUXHD-HKUYNNGSSA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755046002 1440740955 /nfs/dbraw/zinc/74/09/55/1440740955.db2.gz QEWROTQUOJLPDI-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1)c1ccccc1 ZINC001755102693 1440753617 /nfs/dbraw/zinc/75/36/17/1440753617.db2.gz UPPSNDLULGPQPW-YJZJKARDSA-N 2 0 349.906 3.013 20 0 EGADRP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001755135567 1440758025 /nfs/dbraw/zinc/75/80/25/1440758025.db2.gz VDFAUYZWJPNENY-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001755142571 1440761337 /nfs/dbraw/zinc/76/13/37/1440761337.db2.gz BOUXPXPIYNWXOI-IPLHWJFFSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001755161976 1440764959 /nfs/dbraw/zinc/76/49/59/1440764959.db2.gz OVMJRVAPNGLKCL-WLMAVBAVSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001755183971 1440772254 /nfs/dbraw/zinc/77/22/54/1440772254.db2.gz VCCYZOHHVVHFRV-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C ZINC001755195322 1440776636 /nfs/dbraw/zinc/77/66/36/1440776636.db2.gz NLZZIGPTKAYDGD-DLBZAZTESA-N 2 0 343.531 3.025 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001755198178 1440777886 /nfs/dbraw/zinc/77/78/86/1440777886.db2.gz VQQIRWWIYJIYBO-IBGZPJMESA-N 2 0 335.536 3.142 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755201053 1440779638 /nfs/dbraw/zinc/77/96/38/1440779638.db2.gz OYXKTEHJPXROSJ-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755248351 1440791185 /nfs/dbraw/zinc/79/11/85/1440791185.db2.gz IQEWKVQTGWUBQR-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001755253471 1440792552 /nfs/dbraw/zinc/79/25/52/1440792552.db2.gz LEFATHSQKISCET-JKSUJKDBSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001755262843 1440795051 /nfs/dbraw/zinc/79/50/51/1440795051.db2.gz NHGYENYFVYYGKS-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755264278 1440795599 /nfs/dbraw/zinc/79/55/99/1440795599.db2.gz TWCWYIDWOXANBV-HUUCEWRRSA-N 2 0 347.528 3.226 20 0 EGADRP Cc1c(C(=O)NC[C@@H](C)[N@H+](C)CC2CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001755305988 1440811012 /nfs/dbraw/zinc/81/10/12/1440811012.db2.gz ANNGELCQPBLCNQ-CQSZACIVSA-N 2 0 342.487 3.129 20 0 EGADRP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)CCC(C)(C)C ZINC001755319568 1440817812 /nfs/dbraw/zinc/81/78/12/1440817812.db2.gz JAXKKXORONEMEY-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001755342992 1440825897 /nfs/dbraw/zinc/82/58/97/1440825897.db2.gz ONSLDHVOXJOJCW-WOJBJXKFSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[NH2+][C@@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755351634 1440828009 /nfs/dbraw/zinc/82/80/09/1440828009.db2.gz XLDMPWRXEIDHJP-MSOLQXFVSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001755356362 1440829609 /nfs/dbraw/zinc/82/96/09/1440829609.db2.gz LUOCGTAHMNRWRF-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCC(C)(C)C)C1 ZINC001755367378 1440835504 /nfs/dbraw/zinc/83/55/04/1440835504.db2.gz GPUIHOFDBPXQEE-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC001755411347 1440846538 /nfs/dbraw/zinc/84/65/38/1440846538.db2.gz JJOAWYKGXCKDQK-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2ccccc2C)CC[N@@H+]1C ZINC001755499075 1440862419 /nfs/dbraw/zinc/86/24/19/1440862419.db2.gz UHXIUZBQFZXMDW-YSIASYRMSA-N 2 0 345.531 3.100 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001755561013 1440874578 /nfs/dbraw/zinc/87/45/78/1440874578.db2.gz LMQNIBFPWAYYOS-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001755565215 1440875575 /nfs/dbraw/zinc/87/55/75/1440875575.db2.gz UXGHQMUWPPGHEP-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001755610507 1440886906 /nfs/dbraw/zinc/88/69/06/1440886906.db2.gz GTZFXMRSYMMTIU-GOSISDBHSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1CCCCC1 ZINC001755611459 1440887239 /nfs/dbraw/zinc/88/72/39/1440887239.db2.gz PSQSLOSVZFLCCA-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001755694252 1440897547 /nfs/dbraw/zinc/89/75/47/1440897547.db2.gz VJLFQTKJLBJTAJ-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001755704115 1440901599 /nfs/dbraw/zinc/90/15/99/1440901599.db2.gz HWVKDSMRYXCTMK-CTNGQTDRSA-N 2 0 347.547 3.166 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001755850975 1440934887 /nfs/dbraw/zinc/93/48/87/1440934887.db2.gz QAKMESVMPIFWKB-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001755865527 1440937701 /nfs/dbraw/zinc/93/77/01/1440937701.db2.gz HHAPSUAYIVRCNV-DAWZGUTISA-N 2 0 337.552 3.122 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368532425 168368504 /nfs/dbraw/zinc/36/85/04/168368504.db2.gz YQMRQKGGKAWUAM-WIYYLYMNSA-N 2 0 345.531 3.135 20 0 EGADRP COC1(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCCC1 ZINC000341262288 536679770 /nfs/dbraw/zinc/67/97/70/536679770.db2.gz GQMVLWNAHKJSLV-UHFFFAOYSA-N 2 0 332.488 3.208 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000132444235 529617204 /nfs/dbraw/zinc/61/72/04/529617204.db2.gz LQFYJMSINCHMSE-RBUKOAKNSA-N 2 0 339.474 3.278 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000177828110 529721831 /nfs/dbraw/zinc/72/18/31/529721831.db2.gz PVWUXJBFLUKMNN-HNNXBMFYSA-N 2 0 344.528 3.308 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cnn1C ZINC000177959398 232042389 /nfs/dbraw/zinc/04/23/89/232042389.db2.gz JWZBLQMWSSLWJM-GJZGRUSLSA-N 2 0 330.476 3.081 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000178008964 232056615 /nfs/dbraw/zinc/05/66/15/232056615.db2.gz YSAXEVFKVQBRSQ-WCQYABFASA-N 2 0 329.257 3.203 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1)C(C)C ZINC000102640248 219217477 /nfs/dbraw/zinc/21/74/77/219217477.db2.gz CYHHVZULBAIKNU-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccn1 ZINC000183498443 235111081 /nfs/dbraw/zinc/11/10/81/235111081.db2.gz NIOPCEZRBOOZES-GOSISDBHSA-N 2 0 339.483 3.450 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131183366 223211468 /nfs/dbraw/zinc/21/14/68/223211468.db2.gz LGVNOVVJOSIEHE-KRWDZBQOSA-N 2 0 334.504 3.483 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000230048894 242225138 /nfs/dbraw/zinc/22/51/38/242225138.db2.gz GZOWVNBQQJGZDD-RIEGTJTDSA-N 2 0 327.241 3.147 20 0 EGADRP Cc1nccn1CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337845 169012508 /nfs/dbraw/zinc/01/25/08/169012508.db2.gz QNMJBWDYZYNRPO-RTWAWAEBSA-N 2 0 338.499 3.036 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038652 217911811 /nfs/dbraw/zinc/91/18/11/217911811.db2.gz QYPCCAIONXRIJZ-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043699 218109897 /nfs/dbraw/zinc/10/98/97/218109897.db2.gz JHCRLOLHKKPRDM-QUCCMNQESA-N 2 0 332.488 3.018 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000267251356 284736042 /nfs/dbraw/zinc/73/60/42/284736042.db2.gz DEAPTTBEUVBERQ-OALUTQOASA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000093132788 218196773 /nfs/dbraw/zinc/19/67/73/218196773.db2.gz ODDZVZGVWPDWJE-QGZVFWFLSA-N 2 0 329.513 3.113 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000155109900 224360474 /nfs/dbraw/zinc/36/04/74/224360474.db2.gz JVNHGBISYGSVRB-ZIAGYGMSSA-N 2 0 343.487 3.288 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000178035644 533296607 /nfs/dbraw/zinc/29/66/07/533296607.db2.gz HZRCKXCTKAOASZ-GQIGUUNPSA-N 2 0 332.488 3.162 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)CCS2 ZINC000186948935 292010025 /nfs/dbraw/zinc/01/00/25/292010025.db2.gz DOACETSHRRCBPU-GOSISDBHSA-N 2 0 333.545 3.067 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000246532249 141013676 /nfs/dbraw/zinc/01/36/76/141013676.db2.gz VLJHIBBRXPZRSU-VYDXJSESSA-N 2 0 328.460 3.160 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246631604 141021507 /nfs/dbraw/zinc/02/15/07/141021507.db2.gz RKAGHLDLIFYSKJ-UYUJGIFYSA-N 2 0 349.563 3.407 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@@H]3CCCO3)CC2)c1 ZINC000346473250 141202199 /nfs/dbraw/zinc/20/21/99/141202199.db2.gz AQZJSDYVBCZGQS-CTNGQTDRSA-N 2 0 345.531 3.054 20 0 EGADRP CSC1(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000347926974 141218027 /nfs/dbraw/zinc/21/80/27/141218027.db2.gz UARWYYJJPWGPMH-UHFFFAOYSA-N 2 0 347.572 3.382 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000353470957 141304394 /nfs/dbraw/zinc/30/43/94/141304394.db2.gz QZUPTBVAVLXDBG-LZQZEXGQSA-N 2 0 329.488 3.245 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H]4C4CC4)[C@H]3C2)cc1 ZINC000356825751 141349791 /nfs/dbraw/zinc/34/97/91/141349791.db2.gz AQFIAZWMMYSGGM-FCMAGTKHSA-N 2 0 326.484 3.054 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3CCN(C4CC4)C3)cc2)cs1 ZINC000356857145 141355423 /nfs/dbraw/zinc/35/54/23/141355423.db2.gz AVNCJKVNIDTANY-MRXNPFEDSA-N 2 0 343.496 3.357 20 0 EGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643253 144045723 /nfs/dbraw/zinc/04/57/23/144045723.db2.gz VQYINFXYAGYYPZ-ICSRJNTNSA-N 2 0 345.531 3.148 20 0 EGADRP COC(=O)c1ccccc1CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000187384953 144157737 /nfs/dbraw/zinc/15/77/37/144157737.db2.gz YDCJVEXTWRMZBM-UHFFFAOYSA-N 2 0 332.488 3.070 20 0 EGADRP C[C@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000361727937 144356284 /nfs/dbraw/zinc/35/62/84/144356284.db2.gz NEYWLDQCURIVBT-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341391984 155265622 /nfs/dbraw/zinc/26/56/22/155265622.db2.gz JWKGDXPQNRAAQM-XLIONFOSSA-N 2 0 343.515 3.203 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccco1 ZINC000120456375 152278264 /nfs/dbraw/zinc/27/82/64/152278264.db2.gz WZPDVJCXOZPKGJ-RTBURBONSA-N 2 0 327.472 3.137 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2nccc(OC)c2OC)CC1 ZINC000191081775 153174476 /nfs/dbraw/zinc/17/44/76/153174476.db2.gz MBADMGVAUQGVDS-UHFFFAOYSA-N 2 0 349.519 3.433 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000192923850 153265274 /nfs/dbraw/zinc/26/52/74/153265274.db2.gz IMYZJWADVRBEKI-LJQANCHMSA-N 2 0 338.451 3.070 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000226348709 153429487 /nfs/dbraw/zinc/42/94/87/153429487.db2.gz ZVYLYTRROSBAGS-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccsc1 ZINC000262952288 153875507 /nfs/dbraw/zinc/87/55/07/153875507.db2.gz JVMWCMVOZURLTJ-NUJGCVRESA-N 2 0 337.533 3.155 20 0 EGADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(Cl)c1OC ZINC000318507280 154159919 /nfs/dbraw/zinc/15/99/19/154159919.db2.gz GGQJUZBRHXOAJN-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP FC(F)(F)OCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000336655114 154209426 /nfs/dbraw/zinc/20/94/26/154209426.db2.gz FNNLOKXFDBXKDA-BZUAXINKSA-N 2 0 328.378 3.023 20 0 EGADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCOCC[NH+](C)C ZINC000337305842 154272368 /nfs/dbraw/zinc/27/23/68/154272368.db2.gz ROIIMSGDXWSRBT-OWBHPGMISA-N 2 0 330.394 3.277 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000337377832 154318945 /nfs/dbraw/zinc/31/89/45/154318945.db2.gz HLYZTPKWIQOSRW-KRWDZBQOSA-N 2 0 334.504 3.409 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCCCC2 ZINC000181660982 286488659 /nfs/dbraw/zinc/48/86/59/286488659.db2.gz XCHYBNROZNGARB-MOPGFXCFSA-N 2 0 338.536 3.205 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3Cc4ccccc43)CC2)C[C@H](C)O1 ZINC000346851038 156165100 /nfs/dbraw/zinc/16/51/00/156165100.db2.gz QGDDGLSPAIODDP-FUHIMQAGSA-N 2 0 328.500 3.148 20 0 EGADRP Oc1ccc(Br)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000347014271 156248265 /nfs/dbraw/zinc/24/82/65/156248265.db2.gz IKOWKQHYPJLMIA-MRXNPFEDSA-N 2 0 339.277 3.119 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000347015399 156249824 /nfs/dbraw/zinc/24/98/24/156249824.db2.gz IXNNUKHREIRPPI-UHFFFAOYSA-N 2 0 344.478 3.450 20 0 EGADRP Cc1nn2c(C[NH+]3CCC(CC[NH+](C)C)CC3)c(C(C)C)nc2s1 ZINC000352646269 156397260 /nfs/dbraw/zinc/39/72/60/156397260.db2.gz WALISTVMOKHHBV-UHFFFAOYSA-N 2 0 349.548 3.386 20 0 EGADRP Cc1noc(C2CCC([NH2+]CCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC000368644601 157249771 /nfs/dbraw/zinc/24/97/71/157249771.db2.gz DHCLPKMOQKFSEG-RCDYEMGKSA-N 2 0 334.508 3.362 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(Cl)cc1F ZINC000368809095 157295013 /nfs/dbraw/zinc/29/50/13/157295013.db2.gz GGNXIQSBTPSQFD-DJIMGWMZSA-N 2 0 326.843 3.163 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377823568 157423252 /nfs/dbraw/zinc/42/32/52/157423252.db2.gz KSKBLMHEUOUAJM-SFHVURJKSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000155017997 286844563 /nfs/dbraw/zinc/84/45/63/286844563.db2.gz OQKDGYFNNYFLDV-KXBFYZLASA-N 2 0 335.923 3.333 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000093769444 162024959 /nfs/dbraw/zinc/02/49/59/162024959.db2.gz WQMKOQCODRXHSR-UHFFFAOYSA-N 2 0 346.515 3.192 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000110919240 162137392 /nfs/dbraw/zinc/13/73/92/162137392.db2.gz RSLLRUJQAASJMS-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2CC)cc1)C1CC1 ZINC000110993624 162140294 /nfs/dbraw/zinc/14/02/94/162140294.db2.gz OLKLADBBNZKDPY-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129387467 162356025 /nfs/dbraw/zinc/35/60/25/162356025.db2.gz ILEPCNGCSQQQTA-OAHLLOKOSA-N 2 0 345.874 3.042 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCCC1 ZINC000177353665 162631910 /nfs/dbraw/zinc/63/19/10/162631910.db2.gz NVTHHXZPVZXEID-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327933 163211323 /nfs/dbraw/zinc/21/13/23/163211323.db2.gz PJEOKHDDNKWWDR-PMACEKPBSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)(C)[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000343685421 164011662 /nfs/dbraw/zinc/01/16/62/164011662.db2.gz HWCGVMVVWUCDNH-IBGZPJMESA-N 2 0 330.516 3.382 20 0 EGADRP C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)CCN1C1CC[NH+](C)CC1 ZINC000343714089 164018782 /nfs/dbraw/zinc/01/87/82/164018782.db2.gz POOQDTDJVMZCNM-QRWLVFNGSA-N 2 0 347.934 3.428 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1(C)C ZINC000343950308 164071849 /nfs/dbraw/zinc/07/18/49/164071849.db2.gz ZHUFPJMFDCZPTD-RBUKOAKNSA-N 2 0 349.519 3.094 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000344079159 164098884 /nfs/dbraw/zinc/09/88/84/164098884.db2.gz SVHFSSRONNTNSF-VQTJNVASSA-N 2 0 346.515 3.107 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000344119154 164107500 /nfs/dbraw/zinc/10/75/00/164107500.db2.gz WLIQHJDBGBDXNL-INIZCTEOSA-N 2 0 327.472 3.435 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccnc1 ZINC000092746385 287050730 /nfs/dbraw/zinc/05/07/30/287050730.db2.gz YPDSJYUYTHBLHM-CVEARBPZSA-N 2 0 342.462 3.384 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000346496931 164386752 /nfs/dbraw/zinc/38/67/52/164386752.db2.gz WKPZTHRXAOGGMK-OXJNMPFZSA-N 2 0 332.488 3.064 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000350213709 165019629 /nfs/dbraw/zinc/01/96/29/165019629.db2.gz BDKFGHJZORLGSI-FQEVSTJZSA-N 2 0 332.488 3.018 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000350213710 165019742 /nfs/dbraw/zinc/01/97/42/165019742.db2.gz BDKFGHJZORLGSI-HXUWFJFHSA-N 2 0 332.488 3.018 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000352051538 165211741 /nfs/dbraw/zinc/21/17/41/165211741.db2.gz CMXXUCNAWMVDPO-SXLOBPIMSA-N 2 0 345.531 3.322 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352145582 165258736 /nfs/dbraw/zinc/25/87/36/165258736.db2.gz BBMWTCDWHBLZAM-FGTMMUONSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000352149415 165260561 /nfs/dbraw/zinc/26/05/61/165260561.db2.gz PDSBTFYOTDQVQF-LJQANCHMSA-N 2 0 349.494 3.073 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000353953016 165929829 /nfs/dbraw/zinc/92/98/29/165929829.db2.gz XLCNNPGTDIKFCD-IEBWSBKVSA-N 2 0 348.535 3.017 20 0 EGADRP Cc1[nH+]ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1Cl ZINC000355105618 166108283 /nfs/dbraw/zinc/10/82/83/166108283.db2.gz YZJPGLQCAFWHOY-UHFFFAOYSA-N 2 0 336.911 3.038 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CC=C(C)CC2)cc1)C(C)C ZINC000355311513 166161088 /nfs/dbraw/zinc/16/10/88/166161088.db2.gz GBHXCFSODNNSJH-UHFFFAOYSA-N 2 0 343.515 3.299 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000355408026 166186672 /nfs/dbraw/zinc/18/66/72/166186672.db2.gz DVPBGPFFZUIAHY-CALCHBBNSA-N 2 0 331.504 3.017 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCC(C)CC2)[C@H](C)C1 ZINC000359024421 167041751 /nfs/dbraw/zinc/04/17/51/167041751.db2.gz DPRVBSFKAYVSAL-KAXARAQCSA-N 2 0 340.552 3.308 20 0 EGADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000359228175 167101051 /nfs/dbraw/zinc/10/10/51/167101051.db2.gz HCPULVPBIDMBKB-JXFKEZNVSA-N 2 0 339.483 3.061 20 0 EGADRP COc1cc(C[N@H+](C)CCC2CC[NH2+]CC2)c(SC)cc1OC ZINC000359226551 167101259 /nfs/dbraw/zinc/10/12/59/167101259.db2.gz WBSSFGGNZHJYGJ-UHFFFAOYSA-N 2 0 338.517 3.247 20 0 EGADRP CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000359233164 167102091 /nfs/dbraw/zinc/10/20/91/167102091.db2.gz JUCDXRBCSVAXEK-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359315175 167123479 /nfs/dbraw/zinc/12/34/79/167123479.db2.gz VUYDUGKJAPGKMR-ATZDWAIDSA-N 2 0 335.451 3.151 20 0 EGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000359549500 167188961 /nfs/dbraw/zinc/18/89/61/167188961.db2.gz WOLMGXOIJPPBRH-MAUKXSAKSA-N 2 0 343.471 3.200 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087899 167264268 /nfs/dbraw/zinc/26/42/68/167264268.db2.gz JTZIQVODQGFJSV-HUUCEWRRSA-N 2 0 344.425 3.413 20 0 EGADRP C[C@H](CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000365792280 168043890 /nfs/dbraw/zinc/04/38/90/168043890.db2.gz BLSXPSSEEUZWJR-SBHAEUEKSA-N 2 0 329.532 3.138 20 0 EGADRP Cc1nccn1CCCC[N@@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000367215851 168193759 /nfs/dbraw/zinc/19/37/59/168193759.db2.gz OBJAJMZIWMALRR-UHFFFAOYSA-N 2 0 340.515 3.488 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)ncn2C ZINC000367952968 168288124 /nfs/dbraw/zinc/28/81/24/168288124.db2.gz XJQNTUBSNRJAEY-MAUKXSAKSA-N 2 0 335.455 3.291 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262304136 287355353 /nfs/dbraw/zinc/35/53/53/287355353.db2.gz QYWNGIRARDUGMZ-UXPWSPDFSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C[C@H](c2ccccc2)C1 ZINC000162590722 264909891 /nfs/dbraw/zinc/90/98/91/264909891.db2.gz ZSDQTHREVYVSFL-CEWLAPEOSA-N 2 0 329.532 3.186 20 0 EGADRP CC[N@H+](CCC(=O)OC(C)(C)C)CC1CCN(c2ccccn2)CC1 ZINC000174390693 265046180 /nfs/dbraw/zinc/04/61/80/265046180.db2.gz FQCMJJBPELZTKZ-UHFFFAOYSA-N 2 0 347.503 3.352 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354581 265248925 /nfs/dbraw/zinc/24/89/25/265248925.db2.gz KBRGWBJALUQWQW-CRAIPNDOSA-N 2 0 349.906 3.109 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634903 265331068 /nfs/dbraw/zinc/33/10/68/265331068.db2.gz BDGLXVHAJOKMPP-OPYAIIAOSA-N 3 0 329.532 3.217 20 0 EGADRP C[C@H](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000194066363 266088506 /nfs/dbraw/zinc/08/85/06/266088506.db2.gz GRUXTGRPSZKFPS-RSPOEFSDSA-N 2 0 328.500 3.444 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000194260373 266101433 /nfs/dbraw/zinc/10/14/33/266101433.db2.gz DHDXZTPNYPNMEF-GHTZIAJQSA-N 2 0 347.547 3.398 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000194260331 266102538 /nfs/dbraw/zinc/10/25/38/266102538.db2.gz DHDXZTPNYPNMEF-NQIIRXRSSA-N 2 0 347.547 3.398 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)C2(C[NH3+])CCCC2)c2ccccc2)CC1 ZINC000236658998 266210530 /nfs/dbraw/zinc/21/05/30/266210530.db2.gz DVYUKXCMFQXBOA-LJQANCHMSA-N 2 0 343.515 3.095 20 0 EGADRP Cc1ccccc1CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000269665823 266336949 /nfs/dbraw/zinc/33/69/49/266336949.db2.gz QBKFEHOUJUOVCC-UHFFFAOYSA-N 2 0 343.559 3.418 20 0 EGADRP c1cc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000269677874 266339528 /nfs/dbraw/zinc/33/95/28/266339528.db2.gz SMBQMVLPJSZBLV-ICSRJNTNSA-N 2 0 326.484 3.113 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272596588 266878133 /nfs/dbraw/zinc/87/81/33/266878133.db2.gz XGYMQZZPDMFSRI-HXUWFJFHSA-N 2 0 345.506 3.377 20 0 EGADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272800950 266920029 /nfs/dbraw/zinc/92/00/29/266920029.db2.gz ZQKASVPSIUTGJN-CRAIPNDOSA-N 2 0 330.497 3.474 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000273179567 266990332 /nfs/dbraw/zinc/99/03/32/266990332.db2.gz GIHRYCBKGHCGOV-CVEARBPZSA-N 2 0 335.492 3.008 20 0 EGADRP C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273227803 267001448 /nfs/dbraw/zinc/00/14/48/267001448.db2.gz FHYWDGMRJWPSEW-QFBILLFUSA-N 2 0 328.500 3.407 20 0 EGADRP Cc1ncsc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274807612 267289913 /nfs/dbraw/zinc/28/99/13/267289913.db2.gz HBQZNILIBKTBPK-YJBOKZPZSA-N 2 0 329.513 3.494 20 0 EGADRP Cc1ncsc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274807611 267290074 /nfs/dbraw/zinc/29/00/74/267290074.db2.gz HBQZNILIBKTBPK-QAPCUYQASA-N 2 0 329.513 3.494 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCCO2 ZINC000278466098 268019876 /nfs/dbraw/zinc/01/98/76/268019876.db2.gz NFFGQEYNSPPOIT-LJQANCHMSA-N 2 0 330.472 3.373 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268882216 274019932 /nfs/dbraw/zinc/01/99/32/274019932.db2.gz WWXGEGIEGNOYET-HXUWFJFHSA-N 2 0 332.488 3.163 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000370636977 274313197 /nfs/dbraw/zinc/31/31/97/274313197.db2.gz TUZRPOQOUFSBLS-CBGDNZLLSA-N 2 0 327.516 3.383 20 0 EGADRP c1ccc2c(c1)OCC[C@H]2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000373172626 275070681 /nfs/dbraw/zinc/07/06/81/275070681.db2.gz GFUUYUUOUQLDLB-SFHVURJKSA-N 2 0 344.499 3.130 20 0 EGADRP C[NH2+]CCCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000178726614 275201892 /nfs/dbraw/zinc/20/18/92/275201892.db2.gz WVUHFKORQCVDSL-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180716403 275203780 /nfs/dbraw/zinc/20/37/80/275203780.db2.gz OVKMMUCYHDXTMT-BACDZXNISA-N 2 0 339.524 3.285 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263281618 275233463 /nfs/dbraw/zinc/23/34/63/275233463.db2.gz UICVPSPGPJELGG-AZUAARDMSA-N 2 0 331.504 3.052 20 0 EGADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278737388 275270250 /nfs/dbraw/zinc/27/02/50/275270250.db2.gz WNXBZYCFSHTVOZ-VQIMIIECSA-N 2 0 332.488 3.163 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279520776 275336914 /nfs/dbraw/zinc/33/69/14/275336914.db2.gz OIXGWOMCSYSWGF-LJQANCHMSA-N 2 0 327.472 3.238 20 0 EGADRP CC(C)n1nccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000279798779 275360555 /nfs/dbraw/zinc/36/05/55/275360555.db2.gz DLGZCYYPDFRCST-UHFFFAOYSA-N 2 0 326.488 3.466 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280040291 275395437 /nfs/dbraw/zinc/39/54/37/275395437.db2.gz ITQJIWOFQZXMSH-HQRMLTQVSA-N 2 0 338.499 3.298 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000282806467 275672617 /nfs/dbraw/zinc/67/26/17/275672617.db2.gz XLRIMLKIDOKFCO-FQEVSTJZSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)C[C@@H](C)O1 ZINC000285314836 275863994 /nfs/dbraw/zinc/86/39/94/275863994.db2.gz SUFZFIXCFYHPDW-JXXFODFXSA-N 2 0 332.488 3.249 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000352040497 276044242 /nfs/dbraw/zinc/04/42/42/276044242.db2.gz OWQLEPMZSCASFP-QRQLOZEOSA-N 2 0 331.504 3.105 20 0 EGADRP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000354477121 276060784 /nfs/dbraw/zinc/06/07/84/276060784.db2.gz JQFWABUNLSWHNB-IEBWSBKVSA-N 2 0 331.504 3.011 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(F)cn1 ZINC000287302071 276105668 /nfs/dbraw/zinc/10/56/68/276105668.db2.gz CLIRYBSTUFGXEG-CQSZACIVSA-N 2 0 344.434 3.192 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287318999 276107653 /nfs/dbraw/zinc/10/76/53/276107653.db2.gz DHBDAMRPRGZFBX-JKSUJKDBSA-N 2 0 330.394 3.338 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367755185 276194756 /nfs/dbraw/zinc/19/47/56/276194756.db2.gz OCZGAMOWPFOANK-LJQANCHMSA-N 2 0 347.551 3.038 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000154509912 276194795 /nfs/dbraw/zinc/19/47/95/276194795.db2.gz NJYXEYWASXLQRC-RBUKOAKNSA-N 2 0 347.547 3.195 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000246838304 276201732 /nfs/dbraw/zinc/20/17/32/276201732.db2.gz VCKDCLBONMALAE-KXBFYZLASA-N 2 0 333.907 3.039 20 0 EGADRP Cc1cccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1C ZINC000288555448 276227383 /nfs/dbraw/zinc/22/73/83/276227383.db2.gz LVAPRJURHPOVLD-UHFFFAOYSA-N 2 0 327.472 3.319 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]CC3(SC)CC3)CC2)cc1 ZINC000289196982 276303289 /nfs/dbraw/zinc/30/32/89/276303289.db2.gz HIKLMIMVEKKWBC-UHFFFAOYSA-N 2 0 334.529 3.392 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc21 ZINC000289264289 276313196 /nfs/dbraw/zinc/31/31/96/276313196.db2.gz OOTYPBCQVJPFOO-UZLBHIALSA-N 2 0 336.483 3.172 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000358913823 276334863 /nfs/dbraw/zinc/33/48/63/276334863.db2.gz JFKNCKANEYUHDH-LJQANCHMSA-N 2 0 326.488 3.429 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000290441558 276496405 /nfs/dbraw/zinc/49/64/05/276496405.db2.gz VPQDFIHVOZTYCC-XGHQBKJUSA-N 2 0 342.483 3.400 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360656558 276773101 /nfs/dbraw/zinc/77/31/01/276773101.db2.gz ISGXHVUHKMYVNT-HXUWFJFHSA-N 2 0 329.532 3.415 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC000378571047 278028371 /nfs/dbraw/zinc/02/83/71/278028371.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 2 0 341.543 3.359 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc2C1 ZINC000366699428 278055299 /nfs/dbraw/zinc/05/52/99/278055299.db2.gz VNLXIBZMDUGZQL-FQEVSTJZSA-N 2 0 343.515 3.332 20 0 EGADRP C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357106610 278151322 /nfs/dbraw/zinc/15/13/22/278151322.db2.gz DBIXDSNHWIAKIB-MTHXSQLBSA-N 2 0 337.552 3.122 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000338004105 279235375 /nfs/dbraw/zinc/23/53/75/279235375.db2.gz WXZSINRWOXCOJV-KRWDZBQOSA-N 2 0 343.515 3.275 20 0 EGADRP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178981974 288154884 /nfs/dbraw/zinc/15/48/84/288154884.db2.gz GCTRHKXAWMRABB-LJQANCHMSA-N 2 0 337.458 3.033 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCCC2 ZINC000353632430 279934165 /nfs/dbraw/zinc/93/41/65/279934165.db2.gz TXNPMBROMSXDNG-HOTGVXAUSA-N 2 0 326.550 3.141 20 0 EGADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000342699910 280044162 /nfs/dbraw/zinc/04/41/62/280044162.db2.gz WSIXUKYMHWVBGB-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000373172625 280492943 /nfs/dbraw/zinc/49/29/43/280492943.db2.gz GFUUYUUOUQLDLB-GOSISDBHSA-N 2 0 344.499 3.130 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000237077810 280760159 /nfs/dbraw/zinc/76/01/59/280760159.db2.gz QHTCVAGJRMDFKQ-YQQAZPJKSA-N 2 0 337.533 3.011 20 0 EGADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357593685 281308591 /nfs/dbraw/zinc/30/85/91/281308591.db2.gz HWBJVONLNDBTJV-FUHWJXTLSA-N 2 0 325.456 3.151 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC000072959914 290393423 /nfs/dbraw/zinc/39/34/23/290393423.db2.gz AWBKLRYEJCPTBX-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP COc1ccc([C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)cc1 ZINC000371402373 295246429 /nfs/dbraw/zinc/24/64/29/295246429.db2.gz WTEMTEKWHACAPV-GHTZIAJQSA-N 2 0 345.531 3.150 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000238043839 295337444 /nfs/dbraw/zinc/33/74/44/295337444.db2.gz RYABBJNZSWFCNN-PMACEKPBSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359118295 298163293 /nfs/dbraw/zinc/16/32/93/298163293.db2.gz VFPRHYUBDKLTIS-AJYBTWMASA-N 2 0 343.515 3.029 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000263166134 301795714 /nfs/dbraw/zinc/79/57/14/301795714.db2.gz FEXPPQOOZAMFGD-IRFCIJBXSA-N 2 0 343.515 3.156 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000112549887 307471733 /nfs/dbraw/zinc/47/17/33/307471733.db2.gz WHGXYHAKXICNRK-QFIPXVFZSA-N 2 0 338.495 3.264 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000123210935 307537026 /nfs/dbraw/zinc/53/70/26/307537026.db2.gz VADNHPQFWRFHDL-UHFFFAOYSA-N 2 0 348.487 3.238 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C[NH+]1CCCC1 ZINC000414086019 309060289 /nfs/dbraw/zinc/06/02/89/309060289.db2.gz ZEASGAQBJWOSPQ-BHIYHBOVSA-N 2 0 336.907 3.413 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000150985663 307726639 /nfs/dbraw/zinc/72/66/39/307726639.db2.gz RPGSZGATTCCFCC-SJORKVTESA-N 2 0 339.524 3.096 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000414186923 309065608 /nfs/dbraw/zinc/06/56/08/309065608.db2.gz PUKQKJMFFOPAKE-FUHWJXTLSA-N 2 0 341.503 3.267 20 0 EGADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000152618781 307756458 /nfs/dbraw/zinc/75/64/58/307756458.db2.gz YTKUMNKQFTXWSP-MJGOQNOKSA-N 2 0 349.563 3.195 20 0 EGADRP OC1(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414304511 309071795 /nfs/dbraw/zinc/07/17/95/309071795.db2.gz MOAKPRXJCSYHIM-PMACEKPBSA-N 2 0 328.500 3.182 20 0 EGADRP COCC1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000414319168 309072650 /nfs/dbraw/zinc/07/26/50/309072650.db2.gz YSOYJXDIXJMRRQ-MUYFXNHWSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000414320586 309072755 /nfs/dbraw/zinc/07/27/55/309072755.db2.gz CIYWTANMECWYLD-INIZCTEOSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166493667 307930957 /nfs/dbraw/zinc/93/09/57/307930957.db2.gz RLVZZCKUKMKLNK-WIYYLYMNSA-N 2 0 329.532 3.236 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000166739233 307931296 /nfs/dbraw/zinc/93/12/96/307931296.db2.gz KVZQBBRIOAEGMY-LJQANCHMSA-N 2 0 325.456 3.209 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248391492 308001694 /nfs/dbraw/zinc/00/16/94/308001694.db2.gz CIBKGZQPYHZGSX-YLJYHZDGSA-N 2 0 339.483 3.099 20 0 EGADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248398016 308001952 /nfs/dbraw/zinc/00/19/52/308001952.db2.gz IOIZHIZSTWXCDS-PLACYPQZSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CN1Cc1ccccc1 ZINC000248742935 308010541 /nfs/dbraw/zinc/01/05/41/308010541.db2.gz RPKSUSDIWWYLEW-MTEHYEEQSA-N 2 0 326.484 3.197 20 0 EGADRP CCc1ncc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000414446345 309080645 /nfs/dbraw/zinc/08/06/45/309080645.db2.gz YIRKCXQIGYLKCH-OAQYLSRUSA-N 2 0 336.483 3.137 20 0 EGADRP FC(F)Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000292884144 308076344 /nfs/dbraw/zinc/07/63/44/308076344.db2.gz CZAHOQQBZSZYCQ-UHFFFAOYSA-N 2 0 334.414 3.034 20 0 EGADRP CCOc1c(Cl)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292893903 308077359 /nfs/dbraw/zinc/07/73/59/308077359.db2.gz ZHAOIVHJRNERCZ-GOSISDBHSA-N 2 0 338.879 3.275 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292896386 308077460 /nfs/dbraw/zinc/07/74/60/308077460.db2.gz DFRNKSHKHIHHMR-MRXNPFEDSA-N 2 0 339.483 3.301 20 0 EGADRP CCc1ccc2c(CN3CC[C@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1 ZINC000292926744 308080756 /nfs/dbraw/zinc/08/07/56/308080756.db2.gz IQCZASQETQSQBL-OAQYLSRUSA-N 2 0 340.467 3.273 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@@H](C[NH+](C)C)C3)c2cc1OCC ZINC000292965883 308084974 /nfs/dbraw/zinc/08/49/74/308084974.db2.gz DJORIDJDNSATQU-HNNXBMFYSA-N 2 0 343.471 3.420 20 0 EGADRP CCc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000414460200 309081664 /nfs/dbraw/zinc/08/16/64/309081664.db2.gz XTTPGZPEYPGIKJ-LJQANCHMSA-N 2 0 338.499 3.429 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000293704837 308154294 /nfs/dbraw/zinc/15/42/94/308154294.db2.gz MIPQXWABKPROQC-LSDHHAIUSA-N 2 0 338.879 3.116 20 0 EGADRP CC(C)[N@H+](C)CCCN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293759721 308159375 /nfs/dbraw/zinc/15/93/75/308159375.db2.gz OVTUBHKIFPGOOI-MRXNPFEDSA-N 2 0 333.476 3.414 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294692800 308246490 /nfs/dbraw/zinc/24/64/90/308246490.db2.gz ATOOISOERMZTLY-IZVVFDKHSA-N 2 0 332.488 3.411 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414599424 309091331 /nfs/dbraw/zinc/09/13/31/309091331.db2.gz ZKTBNPLSYYDXPP-RTBURBONSA-N 2 0 339.483 3.457 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000295897498 308372157 /nfs/dbraw/zinc/37/21/57/308372157.db2.gz YUQIWZFHOZWBPK-RTOMLYRKSA-N 2 0 342.527 3.428 20 0 EGADRP Oc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1Br ZINC000414648362 309093500 /nfs/dbraw/zinc/09/35/00/309093500.db2.gz BANQZGWBOTVUIV-CQSZACIVSA-N 2 0 339.277 3.119 20 0 EGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000414653756 309093699 /nfs/dbraw/zinc/09/36/99/309093699.db2.gz IGFJCCZTAPFYDI-KXBFYZLASA-N 2 0 334.479 3.477 20 0 EGADRP Cc1cc(Br)c(C[NH+]2CCC(OCCC[NH3+])CC2)s1 ZINC000414656429 309093874 /nfs/dbraw/zinc/09/38/74/309093874.db2.gz FSNYSMFGSQQPNH-UHFFFAOYSA-N 2 0 347.322 3.149 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]1 ZINC000414709377 309096581 /nfs/dbraw/zinc/09/65/81/309096581.db2.gz JWBYFZONYRSEIC-JKIFEVAISA-N 2 0 342.405 3.467 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000414663921 309094325 /nfs/dbraw/zinc/09/43/25/309094325.db2.gz BTQRVJRPJWYHLY-LOWVWBTDSA-N 2 0 329.307 3.378 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccccc1 ZINC000414664379 309094444 /nfs/dbraw/zinc/09/44/44/309094444.db2.gz SSOJTYZOQPSFIJ-APWZRJJASA-N 2 0 340.467 3.443 20 0 EGADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC(F)F ZINC000414670017 309094690 /nfs/dbraw/zinc/09/46/90/309094690.db2.gz CMQFRSZFAIGVPM-JSGCOSHPSA-N 2 0 328.403 3.117 20 0 EGADRP CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[NH2+]C(C)(C)C ZINC000414688211 309095577 /nfs/dbraw/zinc/09/55/77/309095577.db2.gz IZQSPTNBFOQWRG-UHFFFAOYSA-N 2 0 332.467 3.468 20 0 EGADRP C[C@H]([N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000414736355 309098035 /nfs/dbraw/zinc/09/80/35/309098035.db2.gz GOHSJJMNYPAYFP-PKOBYXMFSA-N 2 0 345.531 3.121 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772001 309100029 /nfs/dbraw/zinc/10/00/29/309100029.db2.gz BBMCACYQOBHPCD-KBPBESRZSA-N 2 0 332.879 3.048 20 0 EGADRP c1nn(-c2ccccc2)cc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297576781 308547154 /nfs/dbraw/zinc/54/71/54/308547154.db2.gz IEGDAENPUUQMAA-UHFFFAOYSA-N 2 0 333.439 3.026 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414774458 309100106 /nfs/dbraw/zinc/10/01/06/309100106.db2.gz UTOLMINDIXWOJP-QGZVFWFLSA-N 2 0 342.462 3.141 20 0 EGADRP Brc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414783606 309100733 /nfs/dbraw/zinc/10/07/33/309100733.db2.gz QDJCQQJWDXVZMY-RYUDHWBXSA-N 2 0 329.307 3.332 20 0 EGADRP Clc1ccccc1-c1ccc(C[NH2+]CCCN2CC[NH2+]CC2)s1 ZINC000414782471 309100749 /nfs/dbraw/zinc/10/07/49/309100749.db2.gz OXVGMUYPUKOADJ-UHFFFAOYSA-N 2 0 349.931 3.453 20 0 EGADRP COc1cc(C[NH2+]C2CC[NH2+]CC2)c(-c2ccccc2)cc1OC ZINC000414786221 309101171 /nfs/dbraw/zinc/10/11/71/309101171.db2.gz JRIKAPYUEPPUJX-UHFFFAOYSA-N 2 0 326.440 3.212 20 0 EGADRP COc1ccc(Br)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414794944 309101878 /nfs/dbraw/zinc/10/18/78/309101878.db2.gz GIEHYPGPVRXWTC-ABAIWWIYSA-N 2 0 327.266 3.065 20 0 EGADRP CCC([NH3+])(CC)CNCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000414809631 309102700 /nfs/dbraw/zinc/10/27/00/309102700.db2.gz VVQIQIRDACPLLY-UHFFFAOYSA-N 2 0 328.504 3.464 20 0 EGADRP [NH3+][C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000414829180 309104282 /nfs/dbraw/zinc/10/42/82/309104282.db2.gz KIKYZENOZTVNQY-DXBBTUNJSA-N 2 0 335.495 3.187 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414830939 309104322 /nfs/dbraw/zinc/10/43/22/309104322.db2.gz CRYOFNMEJXMARL-GJZGRUSLSA-N 2 0 337.895 3.345 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414828932 309104325 /nfs/dbraw/zinc/10/43/25/309104325.db2.gz JYIPIBLWAAWNEO-CYBMUJFWSA-N 2 0 346.393 3.116 20 0 EGADRP Fc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414836982 309104552 /nfs/dbraw/zinc/10/45/52/309104552.db2.gz JWZARJUDAWHBCT-LBPRGKRZSA-N 2 0 334.357 3.246 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccccc3)CCCC2)CC1 ZINC000411452712 308939469 /nfs/dbraw/zinc/93/94/69/308939469.db2.gz BJBNNHAOOMYQFX-UHFFFAOYSA-N 2 0 343.515 3.035 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCOc2cc(C)cc(C)c2)CC1 ZINC000411811551 308953533 /nfs/dbraw/zinc/95/35/33/308953533.db2.gz UXZDRBLKQSPMMG-UHFFFAOYSA-N 2 0 347.547 3.078 20 0 EGADRP c1cc(COc2ccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cc2)ccn1 ZINC000414852864 309105688 /nfs/dbraw/zinc/10/56/88/309105688.db2.gz QRXVYRPTXVAWQT-QGZVFWFLSA-N 2 0 325.456 3.140 20 0 EGADRP [NH3+]C[C@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000414855295 309105786 /nfs/dbraw/zinc/10/57/86/309105786.db2.gz WRBGACCQJGPJPB-NRFANRHFSA-N 2 0 347.522 3.330 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414856619 309106006 /nfs/dbraw/zinc/10/60/06/309106006.db2.gz OQCCXPDQLWZSNQ-QFBILLFUSA-N 2 0 325.456 3.138 20 0 EGADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414863780 309106185 /nfs/dbraw/zinc/10/61/85/309106185.db2.gz YEIMJDOFISFOQM-TZMCWYRMSA-N 2 0 346.393 3.114 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414892688 309107729 /nfs/dbraw/zinc/10/77/29/309107729.db2.gz XKDOPNHWCXRXSX-QMMMGPOBSA-N 2 0 325.172 3.295 20 0 EGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H](C)CC[NH3+])c1 ZINC000414892021 309107765 /nfs/dbraw/zinc/10/77/65/309107765.db2.gz IUORHKGRXZQEJE-CQSZACIVSA-N 2 0 330.476 3.141 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414898997 309108206 /nfs/dbraw/zinc/10/82/06/309108206.db2.gz BQKZISRJBOZWAZ-CQSZACIVSA-N 2 0 339.886 3.175 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414902093 309108358 /nfs/dbraw/zinc/10/83/58/309108358.db2.gz KGSYMVIAUQLLCJ-AWEZNQCLSA-N 2 0 337.895 3.345 20 0 EGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCCC[NH3+])c1 ZINC000414915280 309109080 /nfs/dbraw/zinc/10/90/80/309109080.db2.gz YVWRHPLACYXEQX-UHFFFAOYSA-N 2 0 330.476 3.142 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414948896 309110753 /nfs/dbraw/zinc/11/07/53/309110753.db2.gz MTHZEGSNDYSUCK-AGIUHOORSA-N 2 0 343.393 3.153 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000414951834 309111077 /nfs/dbraw/zinc/11/10/77/309111077.db2.gz HLDZOSYLWFJFAI-PIPMEXSNSA-N 2 0 335.495 3.299 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000415013666 309114270 /nfs/dbraw/zinc/11/42/70/309114270.db2.gz YVFZVEWAUNIYLZ-OCCSQVGLSA-N 2 0 346.393 3.243 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415041048 309116042 /nfs/dbraw/zinc/11/60/42/309116042.db2.gz PMMHLTVTCIOWJK-AGIUHOORSA-N 2 0 343.393 3.140 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415054104 309117006 /nfs/dbraw/zinc/11/70/06/309117006.db2.gz FCKQKZNDCGHKGQ-GFCCVEGCSA-N 2 0 329.282 3.455 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057067 309117029 /nfs/dbraw/zinc/11/70/29/309117029.db2.gz TTZHQLOCMMUJHA-SESVDKBCSA-N 2 0 344.499 3.208 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000415056287 309117148 /nfs/dbraw/zinc/11/71/48/309117148.db2.gz PSUWOMPULZLBNX-QXCFHYIPSA-N 2 0 332.488 3.424 20 0 EGADRP c1c(C[NH2+]CCC[NH2+]C2CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000415064191 309118007 /nfs/dbraw/zinc/11/80/07/309118007.db2.gz BYDZVFZSLCEMGY-UHFFFAOYSA-N 2 0 347.466 3.166 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000415083038 309118988 /nfs/dbraw/zinc/11/89/88/309118988.db2.gz DXMNMMNRZOCDQL-AVGNSLFASA-N 2 0 341.293 3.496 20 0 EGADRP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000415081976 309119056 /nfs/dbraw/zinc/11/90/56/309119056.db2.gz LMOKQIAIIWPEPF-NUEKZKHPSA-N 2 0 336.863 3.122 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415084355 309119161 /nfs/dbraw/zinc/11/91/61/309119161.db2.gz OWSGUXVTPYJYAD-IEBWSBKVSA-N 2 0 326.488 3.315 20 0 EGADRP COC(=O)[C@](C)(C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000415093582 309119771 /nfs/dbraw/zinc/11/97/71/309119771.db2.gz CEJBAAQSXGWFJM-ILZDJORESA-N 2 0 332.488 3.018 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415104159 309120644 /nfs/dbraw/zinc/12/06/44/309120644.db2.gz GRHKQVWYYVQEIL-LEWJYISDSA-N 2 0 346.515 3.440 20 0 EGADRP C[C@H]1C[C@@H](C[NH2+]CC2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000415113915 309121223 /nfs/dbraw/zinc/12/12/23/309121223.db2.gz SYBPHYRHBMJVRC-KBPBESRZSA-N 2 0 337.305 3.458 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000415115731 309121283 /nfs/dbraw/zinc/12/12/83/309121283.db2.gz XFHSKMGVFWWJDM-IRXDYDNUSA-N 2 0 326.843 3.197 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415115911 309121489 /nfs/dbraw/zinc/12/14/89/309121489.db2.gz HENMXIWBFMIGTK-DNOWBOINSA-N 2 0 325.294 3.487 20 0 EGADRP NC1(C[NH2+]Cc2cc(F)cc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415124449 309122126 /nfs/dbraw/zinc/12/21/26/309122126.db2.gz CFIPWTNWFHSWAC-UHFFFAOYSA-N 2 0 345.437 3.048 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415126499 309122248 /nfs/dbraw/zinc/12/22/48/309122248.db2.gz PJWPTRGYRXBNBQ-AZUAARDMSA-N 2 0 332.488 3.192 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000415136252 309123150 /nfs/dbraw/zinc/12/31/50/309123150.db2.gz QZVRUWYXIBMQIV-WSTZPKSXSA-N 2 0 329.532 3.394 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415136710 309123219 /nfs/dbraw/zinc/12/32/19/309123219.db2.gz XPFQDRYQBMMETK-SJORKVTESA-N 2 0 342.405 3.424 20 0 EGADRP CCCCOc1ccccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415136538 309123227 /nfs/dbraw/zinc/12/32/27/309123227.db2.gz HUZNAHLYEMVVBP-MOPGFXCFSA-N 2 0 344.499 3.066 20 0 EGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000415144736 309123566 /nfs/dbraw/zinc/12/35/66/309123566.db2.gz VCQSZRDMCNSNTC-UHFFFAOYSA-N 2 0 336.888 3.354 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)ccc21 ZINC000415790845 309143984 /nfs/dbraw/zinc/14/39/84/309143984.db2.gz PWTADRQCQPIBGR-SPYBWZPUSA-N 2 0 344.503 3.122 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000415904975 309147396 /nfs/dbraw/zinc/14/73/96/309147396.db2.gz HIGXTKKPQSURMA-MAUKXSAKSA-N 2 0 332.492 3.133 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C[NH2+]C ZINC000415912962 309148038 /nfs/dbraw/zinc/14/80/38/309148038.db2.gz NVBDURUQYMCHHM-MJGOQNOKSA-N 2 0 346.519 3.428 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415928836 309149238 /nfs/dbraw/zinc/14/92/38/309149238.db2.gz GDFYGPZPGFYJRD-CVEARBPZSA-N 2 0 332.492 3.038 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415950516 309150889 /nfs/dbraw/zinc/15/08/89/309150889.db2.gz DPPOWHFRLNYGEC-UHFFFAOYSA-N 2 0 346.397 3.018 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970694 309152048 /nfs/dbraw/zinc/15/20/48/309152048.db2.gz FSPYYNVSRUNGQD-HOTGVXAUSA-N 2 0 332.492 3.025 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982391 309152823 /nfs/dbraw/zinc/15/28/23/309152823.db2.gz XNJOYUXVGTZDGI-HUUCEWRRSA-N 2 0 332.492 3.023 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416129631 309159956 /nfs/dbraw/zinc/15/99/56/309159956.db2.gz DAGSEIMDKMEHAT-IBGZPJMESA-N 2 0 331.504 3.011 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)N1CC[NH+](C)CC1 ZINC000417322824 309201602 /nfs/dbraw/zinc/20/16/02/309201602.db2.gz NFHZIPBRGPXFID-XDNAFOTISA-N 2 0 335.561 3.102 20 0 EGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000417697843 309218374 /nfs/dbraw/zinc/21/83/74/309218374.db2.gz FTWXCVMQNMWNEU-AEFFLSMTSA-N 2 0 348.535 3.131 20 0 EGADRP Cc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784325 309221979 /nfs/dbraw/zinc/22/19/79/309221979.db2.gz CEXJBXHTSNBFLF-IEBWSBKVSA-N 2 0 326.488 3.213 20 0 EGADRP CCn1cncc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000417936709 309228880 /nfs/dbraw/zinc/22/88/80/309228880.db2.gz GDSVDZMCKXKIOM-UHFFFAOYSA-N 2 0 338.455 3.418 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000417935259 309228954 /nfs/dbraw/zinc/22/89/54/309228954.db2.gz GNHVUQOACPZJJU-LJQANCHMSA-N 2 0 346.515 3.215 20 0 EGADRP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000419145477 309260735 /nfs/dbraw/zinc/26/07/35/309260735.db2.gz PYRZJLXNNXZQCV-UHFFFAOYSA-N 2 0 345.531 3.459 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)CCC2)c1 ZINC000420292911 309279654 /nfs/dbraw/zinc/27/96/54/309279654.db2.gz QHKLCKNUBOPHTJ-PKOBYXMFSA-N 2 0 346.515 3.441 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCOc2ccccc2C)cc1 ZINC000420302329 309280337 /nfs/dbraw/zinc/28/03/37/309280337.db2.gz JQKCMIYZGKPAEX-GOSISDBHSA-N 2 0 328.456 3.057 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1c1ccccc1 ZINC000420302503 309280487 /nfs/dbraw/zinc/28/04/87/309280487.db2.gz MKCBAKRCRUFOEE-MNAPGUCWSA-N 2 0 338.495 3.043 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420304309 309280793 /nfs/dbraw/zinc/28/07/93/309280793.db2.gz IOEJVPXNYBHJDQ-UKRRQHHQSA-N 2 0 330.863 3.275 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314548 309281453 /nfs/dbraw/zinc/28/14/53/309281453.db2.gz KIVBSZMDTWYTCN-UNMCSNQZSA-N 3 0 341.543 3.364 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420319834 309281799 /nfs/dbraw/zinc/28/17/99/309281799.db2.gz AOXWBYXGWWXYEI-IRXDYDNUSA-N 2 0 341.455 3.172 20 0 EGADRP COc1cccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420323422 309282468 /nfs/dbraw/zinc/28/24/68/309282468.db2.gz UGCZVZPRTIBEGG-FXAWDEMLSA-N 2 0 332.488 3.066 20 0 EGADRP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420337782 309283119 /nfs/dbraw/zinc/28/31/19/309283119.db2.gz XAUSOSMDAQGROE-JKSUJKDBSA-N 2 0 344.890 3.347 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420345764 309283361 /nfs/dbraw/zinc/28/33/61/309283361.db2.gz WOGFOSMPPLWWNS-KXBFYZLASA-N 2 0 329.488 3.040 20 0 EGADRP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420345334 309283440 /nfs/dbraw/zinc/28/34/40/309283440.db2.gz VWJWWJOJZBZSJE-GJZGRUSLSA-N 2 0 346.862 3.212 20 0 EGADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344931 309283487 /nfs/dbraw/zinc/28/34/87/309283487.db2.gz VAZNIAFEJYRDOX-QZTJIDSGSA-N 2 0 329.488 3.070 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)CCc3ccccc3)CC2)CC1 ZINC000420985618 309306052 /nfs/dbraw/zinc/30/60/52/309306052.db2.gz WMTSFKWVHBDFBE-HXUWFJFHSA-N 2 0 343.559 3.500 20 0 EGADRP OC1(CCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000421374051 309321540 /nfs/dbraw/zinc/32/15/40/309321540.db2.gz NBDDSURFNPWXHJ-VAMGGRTRSA-N 2 0 328.500 3.182 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254871 309392576 /nfs/dbraw/zinc/39/25/76/309392576.db2.gz ZTXUGXSLJBHUAG-QMTHXVAHSA-N 2 0 327.241 3.165 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000422635969 309363255 /nfs/dbraw/zinc/36/32/55/309363255.db2.gz MGOBCLROCVPKTH-NFAWXSAZSA-N 2 0 348.878 3.238 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000422692004 309363315 /nfs/dbraw/zinc/36/33/15/309363315.db2.gz JRJYNDKMVREAHW-PMPSAXMXSA-N 2 0 343.471 3.446 20 0 EGADRP CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422725702 309365114 /nfs/dbraw/zinc/36/51/14/309365114.db2.gz CAUMAQNCMWEYDF-WOJBJXKFSA-N 2 0 329.532 3.191 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724013 309365149 /nfs/dbraw/zinc/36/51/49/309365149.db2.gz UAWYVMNSORETCB-MOPGFXCFSA-N 2 0 337.458 3.049 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422725930 309365201 /nfs/dbraw/zinc/36/52/01/309365201.db2.gz CPRALKLENWQRKA-DJIMGWMZSA-N 2 0 343.298 3.283 20 0 EGADRP COc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3[NH3+])CCCCC2)cc1OC ZINC000422738011 309366155 /nfs/dbraw/zinc/36/61/55/309366155.db2.gz YGEIDVAMLHPHCG-IRXDYDNUSA-N 2 0 332.488 3.375 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N(C)C ZINC000422744966 309366347 /nfs/dbraw/zinc/36/63/47/309366347.db2.gz LBIPOCNMNLTBSG-MDNKFWRPSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422763264 309367158 /nfs/dbraw/zinc/36/71/58/309367158.db2.gz ORKKTNSXTZBERE-LRDDRELGSA-N 2 0 343.284 3.499 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2cccs2)C2CC2)CC[NH2+]CC1 ZINC000422797559 309368883 /nfs/dbraw/zinc/36/88/83/309368883.db2.gz NIPBVXOJDSMOOQ-CJNGLKHVSA-N 2 0 336.501 3.110 20 0 EGADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccc(Br)cc1 ZINC000422797326 309368916 /nfs/dbraw/zinc/36/89/16/309368916.db2.gz MCTIQSSOHGTUTL-YXQSOJMXSA-N 2 0 339.277 3.089 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422812274 309369768 /nfs/dbraw/zinc/36/97/68/309369768.db2.gz WCALMHXBEJGNNV-PWRODBHTSA-N 3 0 327.516 3.293 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422831037 309370794 /nfs/dbraw/zinc/37/07/94/309370794.db2.gz SDLMYLJNMURVER-FXAWDEMLSA-N 2 0 326.488 3.332 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422829976 309370805 /nfs/dbraw/zinc/37/08/05/309370805.db2.gz QGTQZWJMQGGAOF-OALUTQOASA-N 2 0 334.467 3.302 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422831220 309370994 /nfs/dbraw/zinc/37/09/94/309370994.db2.gz JJGSHWASBGAPJV-MYGLTJDJSA-N 2 0 343.559 3.450 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000422843944 309371604 /nfs/dbraw/zinc/37/16/04/309371604.db2.gz KEKRLSQUPWBFLO-JXFKEZNVSA-N 2 0 332.536 3.256 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422848094 309372006 /nfs/dbraw/zinc/37/20/06/309372006.db2.gz SHIYSUVVEWUYRM-RRQGHBQHSA-N 2 0 339.886 3.333 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422852516 309372048 /nfs/dbraw/zinc/37/20/48/309372048.db2.gz XWLYFBRTQFLMEM-LPHOPBHVSA-N 2 0 341.430 3.295 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCC[C@H]1C ZINC000422862971 309372593 /nfs/dbraw/zinc/37/25/93/309372593.db2.gz OIRYLOMQMSVXPX-PLOVASNDSA-N 2 0 343.515 3.095 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422862695 309372642 /nfs/dbraw/zinc/37/26/42/309372642.db2.gz KRKHIQOAUVMNDW-XUVXKRRUSA-N 2 0 346.515 3.421 20 0 EGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422874272 309373201 /nfs/dbraw/zinc/37/32/01/309373201.db2.gz COPQDUHILZZTRD-AWEZNQCLSA-N 2 0 340.471 3.438 20 0 EGADRP C[C@H]1CCNC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878565 309373436 /nfs/dbraw/zinc/37/34/36/309373436.db2.gz KHFVMAPPCCRYCM-HNAYVOBHSA-N 2 0 335.923 3.140 20 0 EGADRP C[C@@H]1CCNC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878564 309373446 /nfs/dbraw/zinc/37/34/46/309373446.db2.gz KHFVMAPPCCRYCM-DNVCBOLYSA-N 2 0 335.923 3.140 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1OC(F)F ZINC000422876441 309373543 /nfs/dbraw/zinc/37/35/43/309373543.db2.gz FUKOUACKTWSCBQ-UONOGXRCSA-N 2 0 328.403 3.089 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000422879874 309373644 /nfs/dbraw/zinc/37/36/44/309373644.db2.gz MYZDGUZDMUNQEQ-INIZCTEOSA-N 2 0 332.488 3.221 20 0 EGADRP COCc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422886723 309374228 /nfs/dbraw/zinc/37/42/28/309374228.db2.gz XHCWRXLDMGTJLK-PZJWPPBQSA-N 2 0 338.451 3.179 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(OC(F)F)c1 ZINC000422888167 309374235 /nfs/dbraw/zinc/37/42/35/309374235.db2.gz MITZZFSQWOFNMU-IUODEOHRSA-N 2 0 328.403 3.294 20 0 EGADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422892841 309374734 /nfs/dbraw/zinc/37/47/34/309374734.db2.gz NXUKYVRQWHCUPE-MVJPYGJCSA-N 2 0 343.515 3.225 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CCCCC2)cc1 ZINC000422898755 309374927 /nfs/dbraw/zinc/37/49/27/309374927.db2.gz FUKHNVAYCRJWEA-PWIZWCRZSA-N 2 0 346.515 3.239 20 0 EGADRP CCOc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422905453 309375337 /nfs/dbraw/zinc/37/53/37/309375337.db2.gz SDXKMKPRBREVIQ-TZIWHRDSSA-N 2 0 338.451 3.431 20 0 EGADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)CCC[NH3+])CCOCC1 ZINC000422905802 309375683 /nfs/dbraw/zinc/37/56/83/309375683.db2.gz SVEFINZBOSXVRW-AWEZNQCLSA-N 2 0 340.895 3.114 20 0 EGADRP CCc1nc(CN2CCC(C[NH2+][C@H](C)CCCC[NH3+])CC2)cs1 ZINC000422910204 309375832 /nfs/dbraw/zinc/37/58/32/309375832.db2.gz HORYDTLFXXLEHE-OAHLLOKOSA-N 2 0 338.565 3.025 20 0 EGADRP CN(C)c1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422915850 309376140 /nfs/dbraw/zinc/37/61/40/309376140.db2.gz ZGIIMOIBOBESSJ-RXVVDRJESA-N 2 0 337.467 3.098 20 0 EGADRP C(CC12CC3CC(CC(C3)C1)C2)[NH2+][C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422930829 309376539 /nfs/dbraw/zinc/37/65/39/309376539.db2.gz WDTPTDWKKCOPJZ-CXNWJMCTSA-N 2 0 332.532 3.340 20 0 EGADRP Fc1cccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422939697 309377118 /nfs/dbraw/zinc/37/71/18/309377118.db2.gz IEKUZFAQQKPMHB-AZUAARDMSA-N 2 0 342.414 3.050 20 0 EGADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422983305 309379510 /nfs/dbraw/zinc/37/95/10/309379510.db2.gz SSEZXEWKQYRYPB-IFMALSPDSA-N 2 0 334.463 3.247 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000423008577 309380566 /nfs/dbraw/zinc/38/05/66/309380566.db2.gz AKUJBFJAKVXDGO-CSODHUTKSA-N 2 0 326.484 3.422 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423005988 309380607 /nfs/dbraw/zinc/38/06/07/309380607.db2.gz TZODSXTVGKHUQT-GFOJFJKKSA-N 3 0 329.532 3.394 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423015051 309380893 /nfs/dbraw/zinc/38/08/93/309380893.db2.gz QHLAPEBVSFQNCQ-NVXWUHKLSA-N 2 0 342.462 3.307 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2C)CC[NH2+]CC1 ZINC000423022474 309381391 /nfs/dbraw/zinc/38/13/91/309381391.db2.gz HSIQSHXRDMGZAC-JTDSTZFVSA-N 2 0 344.499 3.221 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCCC[C@@H]3C[NH3+])c2)CC1 ZINC000423025109 309381536 /nfs/dbraw/zinc/38/15/36/309381536.db2.gz KPCBMUUJZGEAJN-YLJYHZDGSA-N 2 0 330.520 3.146 20 0 EGADRP C[C@@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423054500 309383349 /nfs/dbraw/zinc/38/33/49/309383349.db2.gz UUQGXYCFAWDHHJ-UHOFOFEASA-N 2 0 329.410 3.038 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423055936 309383464 /nfs/dbraw/zinc/38/34/64/309383464.db2.gz XFBGFIOMCLXCQH-JNAXZKDPSA-N 2 0 325.456 3.420 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423063590 309383944 /nfs/dbraw/zinc/38/39/44/309383944.db2.gz PGUWVGRIJULQIV-GOEBONIOSA-N 2 0 335.458 3.161 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423064151 309384014 /nfs/dbraw/zinc/38/40/14/309384014.db2.gz QQKCWSYZNXIHKE-FMKPAKJESA-N 2 0 341.421 3.262 20 0 EGADRP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423067204 309384198 /nfs/dbraw/zinc/38/41/98/309384198.db2.gz YWJOLSKNSCKEPB-YESZJQIVSA-N 2 0 347.469 3.161 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC(c2ccccc2)C1 ZINC000423079424 309384809 /nfs/dbraw/zinc/38/48/09/309384809.db2.gz AARHAZQDPRQZNJ-NGWDBGEYSA-N 2 0 328.500 3.053 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000423079088 309384846 /nfs/dbraw/zinc/38/48/46/309384846.db2.gz QADFUMQFOFVOPT-GPHNJDIKSA-N 2 0 340.511 3.164 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423080219 309384872 /nfs/dbraw/zinc/38/48/72/309384872.db2.gz SFUQOBGCNIEDKH-JJRVBVJISA-N 2 0 338.442 3.119 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423081394 309385078 /nfs/dbraw/zinc/38/50/78/309385078.db2.gz BOMONRAYDHGVKP-OXJNMPFZSA-N 2 0 340.515 3.475 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423084090 309385172 /nfs/dbraw/zinc/38/51/72/309385172.db2.gz HGSXSAMPCBTEMB-AFVILVPDSA-N 2 0 330.516 3.443 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000423095637 309385849 /nfs/dbraw/zinc/38/58/49/309385849.db2.gz MTYXOPIVNSDCDG-HZMBPMFUSA-N 2 0 338.801 3.499 20 0 EGADRP Cc1cccc(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423105969 309386047 /nfs/dbraw/zinc/38/60/47/309386047.db2.gz NYNCTCHMSUZNNH-CTNGQTDRSA-N 2 0 337.467 3.168 20 0 EGADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423127982 309387320 /nfs/dbraw/zinc/38/73/20/309387320.db2.gz CREOETJZRUBKAR-XHSDSOJGSA-N 2 0 327.394 3.153 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423129138 309387457 /nfs/dbraw/zinc/38/74/57/309387457.db2.gz DTQQCBBBIRGZDC-ARLBYUKCSA-N 2 0 330.394 3.065 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000423130316 309387491 /nfs/dbraw/zinc/38/74/91/309387491.db2.gz RRZUPSXBFISSRG-CVEARBPZSA-N 2 0 327.472 3.495 20 0 EGADRP COCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423161626 309388804 /nfs/dbraw/zinc/38/88/04/309388804.db2.gz JKWAFDKYJKKWHH-FXAWDEMLSA-N 2 0 330.472 3.039 20 0 EGADRP C[NH2+]CCC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000423202509 309390271 /nfs/dbraw/zinc/39/02/71/309390271.db2.gz QTCODMHUDKEVLT-HNNXBMFYSA-N 2 0 329.282 3.116 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423212953 309390607 /nfs/dbraw/zinc/39/06/07/309390607.db2.gz JHVYXJDHGQUXKU-ZOBUZTSGSA-N 2 0 332.492 3.255 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423261592 309392718 /nfs/dbraw/zinc/39/27/18/309392718.db2.gz SMKGBEPMNXJKFS-GHMZBOCLSA-N 2 0 330.245 3.024 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423279626 309393802 /nfs/dbraw/zinc/39/38/02/309393802.db2.gz RSCHGKPSWQUWQF-WDYCEAGBSA-N 2 0 342.487 3.167 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000423282060 309393912 /nfs/dbraw/zinc/39/39/12/309393912.db2.gz URWRVFFMXFZPDE-QUCCMNQESA-N 2 0 339.568 3.025 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000423318942 309394995 /nfs/dbraw/zinc/39/49/95/309394995.db2.gz ZRDYKNUQDKZKQE-MRXNPFEDSA-N 2 0 337.467 3.232 20 0 EGADRP CC1CC[NH+](CCC[C@H](NCC2C[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423326732 309395391 /nfs/dbraw/zinc/39/53/91/309395391.db2.gz QXTNDDJOJBWALU-FQEVSTJZSA-N 2 0 333.495 3.188 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000423347424 309396470 /nfs/dbraw/zinc/39/64/70/309396470.db2.gz QKXLTSQIOIRFSU-CYBMUJFWSA-N 2 0 330.863 3.404 20 0 EGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423359837 309396916 /nfs/dbraw/zinc/39/69/16/309396916.db2.gz KZDLSTNMDDATLJ-ZMMAXQRCSA-N 2 0 345.531 3.195 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H](C)[NH3+] ZINC000423365900 309397270 /nfs/dbraw/zinc/39/72/70/309397270.db2.gz WWSKKTJFZOCPML-FXAWDEMLSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(I)cc1 ZINC000423369177 309397295 /nfs/dbraw/zinc/39/72/95/309397295.db2.gz FQQYDUUVWZEVME-UHIISALHSA-N 2 0 344.240 3.082 20 0 EGADRP Cc1nn(C)c2sc([C@H](C)[NH2+]Cc3ccc4c(c3)C[NH2+]C4)cc12 ZINC000423371521 309397601 /nfs/dbraw/zinc/39/76/01/309397601.db2.gz GLDVGJUKGQUEIW-LBPRGKRZSA-N 2 0 326.469 3.397 20 0 EGADRP COCC1(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423377978 309397739 /nfs/dbraw/zinc/39/77/39/309397739.db2.gz BYOIXYLEEZXLKZ-HNNXBMFYSA-N 2 0 340.920 3.483 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)[NH+]2CCCC2)o1 ZINC000423389353 309398108 /nfs/dbraw/zinc/39/81/08/309398108.db2.gz JJPMUYJKXOSOOK-QZTJIDSGSA-N 2 0 347.503 3.139 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423407010 309398839 /nfs/dbraw/zinc/39/88/39/309398839.db2.gz LMKXLCDXEPGXBZ-HOTGVXAUSA-N 2 0 331.504 3.337 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000423422271 309399770 /nfs/dbraw/zinc/39/97/70/309399770.db2.gz KWLKEBQYZGDHJS-BPLDGKMQSA-N 2 0 325.522 3.056 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423456705 309401057 /nfs/dbraw/zinc/40/10/57/309401057.db2.gz NZZAJIDIIFLWEI-SCTDSRPQSA-N 2 0 349.906 3.028 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000423466033 309401269 /nfs/dbraw/zinc/40/12/69/309401269.db2.gz SCUMUFFXYBDYJH-SGMGOOAPSA-N 2 0 328.403 3.465 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C2 ZINC000423489083 309402558 /nfs/dbraw/zinc/40/25/58/309402558.db2.gz VXHWETMLGWYQIO-SJORKVTESA-N 2 0 337.305 3.428 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423539768 309405585 /nfs/dbraw/zinc/40/55/85/309405585.db2.gz PGNKRSOMZCDSMA-CQSZACIVSA-N 2 0 328.435 3.280 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1OCc1ccccc1 ZINC000423543636 309405824 /nfs/dbraw/zinc/40/58/24/309405824.db2.gz NOMSVANZMYSASK-LASHMREHSA-N 2 0 328.500 3.348 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423546119 309406015 /nfs/dbraw/zinc/40/60/15/309406015.db2.gz KETLJINKQCNJBE-LPXKSRHMSA-N 2 0 332.463 3.271 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000423720217 309410814 /nfs/dbraw/zinc/41/08/14/309410814.db2.gz AJWLETJZXGNYTQ-JEWRLFTDSA-N 2 0 329.488 3.184 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000423857972 309417092 /nfs/dbraw/zinc/41/70/92/309417092.db2.gz ZMOBFKPQESPMBC-UYAOXDASSA-N 2 0 343.515 3.275 20 0 EGADRP [NH3+][C@H](CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)CC1CCCCC1 ZINC000424181508 309432066 /nfs/dbraw/zinc/43/20/66/309432066.db2.gz XSIHEFVZDRZDBK-HSALFYBXSA-N 2 0 343.515 3.018 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000424449272 309444121 /nfs/dbraw/zinc/44/41/21/309444121.db2.gz ZUZMFBGEQORMHD-QGZVFWFLSA-N 2 0 342.443 3.005 20 0 EGADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000428297518 309546982 /nfs/dbraw/zinc/54/69/82/309546982.db2.gz FXTCQNXNDJOKJW-UHFFFAOYSA-N 2 0 348.535 3.097 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000430771461 309617335 /nfs/dbraw/zinc/61/73/35/309617335.db2.gz DLHHIHISIKVQGA-OALUTQOASA-N 2 0 335.536 3.197 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000430946124 309621820 /nfs/dbraw/zinc/62/18/20/309621820.db2.gz ZKETXNTVDXPXFF-AWEZNQCLSA-N 2 0 342.462 3.059 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3Cc4cccc(O)c4C3)CC2)C1 ZINC000433032164 309675849 /nfs/dbraw/zinc/67/58/49/309675849.db2.gz LHJRXJSCNXTWRJ-LZQZEXGQSA-N 2 0 328.500 3.492 20 0 EGADRP CC(C)C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433123320 309679335 /nfs/dbraw/zinc/67/93/35/309679335.db2.gz UNFADTBWWHSPHQ-IBGZPJMESA-N 2 0 331.504 3.093 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc4cccnc4o3)CC2)C[C@H](C)O1 ZINC000449015783 310029235 /nfs/dbraw/zinc/02/92/35/310029235.db2.gz CKWHNCCKAPNLON-IYBDPMFKSA-N 2 0 343.471 3.149 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc4cccnc4o3)CC2)C[C@H](C)O1 ZINC000449015781 310029260 /nfs/dbraw/zinc/02/92/60/310029260.db2.gz CKWHNCCKAPNLON-HOTGVXAUSA-N 2 0 343.471 3.149 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449121661 310038603 /nfs/dbraw/zinc/03/86/03/310038603.db2.gz INUXOACJDQVPJM-PKOBYXMFSA-N 2 0 336.907 3.270 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449132526 310039308 /nfs/dbraw/zinc/03/93/08/310039308.db2.gz UVVQKDZPNWLGCH-UHFFFAOYSA-N 2 0 348.288 3.429 20 0 EGADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000449145185 310040186 /nfs/dbraw/zinc/04/01/86/310040186.db2.gz KTSOIHWHPKWGIR-LPHOPBHVSA-N 2 0 345.531 3.298 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)CC1 ZINC000449325831 310053504 /nfs/dbraw/zinc/05/35/04/310053504.db2.gz PXCQHXMWMCNCCJ-IBGZPJMESA-N 2 0 344.499 3.402 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](O)Cc3cccc(F)c3)CC2)C1 ZINC000449359788 310056578 /nfs/dbraw/zinc/05/65/78/310056578.db2.gz IBBZARQHGNJDKQ-TYCQWZJGSA-N 2 0 348.506 3.362 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(C)cs2)CC1 ZINC000449479008 310065493 /nfs/dbraw/zinc/06/54/93/310065493.db2.gz LFYGCDUECZWANP-UHFFFAOYSA-N 2 0 329.513 3.488 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449591022 310074231 /nfs/dbraw/zinc/07/42/31/310074231.db2.gz VYGJCPRZINJJLU-YSHGAJCASA-N 2 0 336.520 3.351 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456830 310123719 /nfs/dbraw/zinc/12/37/19/310123719.db2.gz UNOKZFGHWFMNMY-KRWDZBQOSA-N 2 0 332.463 3.452 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000450604630 310132818 /nfs/dbraw/zinc/13/28/18/310132818.db2.gz XBSQPYWZTPGWIL-KRZXBLKESA-N 2 0 328.500 3.100 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453077665 310256556 /nfs/dbraw/zinc/25/65/56/310256556.db2.gz BIFZDPFRMNYKAA-ACRUOGEOSA-N 2 0 328.500 3.446 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000453109411 310258574 /nfs/dbraw/zinc/25/85/74/310258574.db2.gz PKXBMAWTDMATFR-YTQUADARSA-N 2 0 342.487 3.188 20 0 EGADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453126237 310259650 /nfs/dbraw/zinc/25/96/50/310259650.db2.gz OSIQVZNMRIYTKJ-HSROGRKHSA-N 2 0 330.516 3.426 20 0 EGADRP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453184287 310262900 /nfs/dbraw/zinc/26/29/00/310262900.db2.gz UOFSWDDUMRKRCU-WJMWBRGCSA-N 2 0 330.516 3.428 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000453197569 310263603 /nfs/dbraw/zinc/26/36/03/310263603.db2.gz NEVGIHOXPKVPBS-SFTDATJTSA-N 2 0 339.483 3.279 20 0 EGADRP OC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453217841 310264717 /nfs/dbraw/zinc/26/47/17/310264717.db2.gz UWQHAGHNPHYLOF-VAMGGRTRSA-N 2 0 328.500 3.324 20 0 EGADRP FC(F)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453224225 310265163 /nfs/dbraw/zinc/26/51/63/310265163.db2.gz PSJBXLRZAKSEQH-KZNAEPCWSA-N 2 0 338.442 3.301 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000453310622 310270427 /nfs/dbraw/zinc/27/04/27/310270427.db2.gz FTESBLQJGQXSKT-OTWHNJEPSA-N 2 0 338.536 3.062 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CC3 ZINC000453404765 310275139 /nfs/dbraw/zinc/27/51/39/310275139.db2.gz PTRKBWYYRJDXCT-OAHLLOKOSA-N 2 0 341.499 3.498 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCC[N@H+](C)C3CC3)ccc21 ZINC000455846497 310379355 /nfs/dbraw/zinc/37/93/55/310379355.db2.gz INMVSLAYCVYMDV-IBGZPJMESA-N 2 0 344.503 3.231 20 0 EGADRP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455914208 310382115 /nfs/dbraw/zinc/38/21/15/310382115.db2.gz JXDBLIVFRJETER-KSSFIOAISA-N 2 0 332.492 3.087 20 0 EGADRP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455949852 310383247 /nfs/dbraw/zinc/38/32/47/310383247.db2.gz ZHBHARNXXZIJOJ-IBGZPJMESA-N 2 0 344.503 3.184 20 0 EGADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000474466321 310794058 /nfs/dbraw/zinc/79/40/58/310794058.db2.gz DYTLWZUXFMFWSD-RTBURBONSA-N 2 0 330.520 3.138 20 0 EGADRP CC(C)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)ccc1F ZINC000479067640 310868417 /nfs/dbraw/zinc/86/84/17/310868417.db2.gz MKOZQQNXDAPCLI-LJQANCHMSA-N 2 0 339.474 3.278 20 0 EGADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000486938616 311002820 /nfs/dbraw/zinc/00/28/20/311002820.db2.gz MSPCFWAHVAHADZ-HOTGVXAUSA-N 2 0 338.467 3.203 20 0 EGADRP C[C@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349848 311240912 /nfs/dbraw/zinc/24/09/12/311240912.db2.gz HRDRHWJCGQGNOW-PZJWPPBQSA-N 2 0 329.532 3.219 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000495311331 311549760 /nfs/dbraw/zinc/54/97/60/311549760.db2.gz DTFBHPKFABBKTI-UHFFFAOYSA-N 2 0 335.492 3.141 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000495666216 311593553 /nfs/dbraw/zinc/59/35/53/311593553.db2.gz AMASJRCHEZRXSS-IAGOWNOFSA-N 2 0 339.524 3.288 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512649841 312191155 /nfs/dbraw/zinc/19/11/55/312191155.db2.gz UYAAOZGSXINMKW-SSSFQFABSA-N 2 0 328.500 3.180 20 0 EGADRP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512656349 312191725 /nfs/dbraw/zinc/19/17/25/312191725.db2.gz ZGJYQGNZJOMBIE-XSDIEEQYSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000513476583 312211177 /nfs/dbraw/zinc/21/11/77/312211177.db2.gz OBBQYPLGTNNENR-MRXNPFEDSA-N 2 0 349.485 3.361 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513884797 312219242 /nfs/dbraw/zinc/21/92/42/312219242.db2.gz FFQVYRWTVCVQOK-KSZLIROESA-N 2 0 343.506 3.302 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528399841 313085254 /nfs/dbraw/zinc/08/52/54/313085254.db2.gz LLUFUHPXQZYINN-OAHLLOKOSA-N 2 0 345.409 3.033 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000535684691 314060000 /nfs/dbraw/zinc/06/00/00/314060000.db2.gz BJZYPBWEXZQTCL-IBGZPJMESA-N 2 0 335.923 3.333 20 0 EGADRP C[C@H](c1cccc2ccccc21)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000537610512 314195551 /nfs/dbraw/zinc/19/55/51/314195551.db2.gz VWDXNAFGGPSFFN-GOSISDBHSA-N 2 0 325.500 3.470 20 0 EGADRP CCC[N@H+](C)CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000537706028 314204347 /nfs/dbraw/zinc/20/43/47/314204347.db2.gz MSOLWHVLVPBDDG-UHFFFAOYSA-N 2 0 331.504 3.241 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000537963666 314220051 /nfs/dbraw/zinc/22/00/51/314220051.db2.gz ROWZOPVIKANSHK-YLJYHZDGSA-N 2 0 334.504 3.230 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)c2ccccc2)CC1 ZINC000538862140 314280747 /nfs/dbraw/zinc/28/07/47/314280747.db2.gz UBVIKFGWSJMVDX-VJBWXMMDSA-N 2 0 349.522 3.368 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCCCCC2)CC1)CC1CC1 ZINC000538948850 314286639 /nfs/dbraw/zinc/28/66/39/314286639.db2.gz KDPZBOMCQXOAEZ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000539063876 314294009 /nfs/dbraw/zinc/29/40/09/314294009.db2.gz YGJXATVXXFGFIA-QHAWAJNXSA-N 2 0 328.500 3.495 20 0 EGADRP C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539086243 314295581 /nfs/dbraw/zinc/29/55/81/314295581.db2.gz DOAQSCWDLQECTL-OXJNMPFZSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]1C[C@H]1c1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000539523704 314319341 /nfs/dbraw/zinc/31/93/41/314319341.db2.gz ZRNUAJXVXCOZQL-GDBMZVCRSA-N 2 0 326.444 3.162 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(CC)CC)[C@H](C)C1 ZINC000540157387 314366272 /nfs/dbraw/zinc/36/62/72/314366272.db2.gz WXMJZQZHUWMBPA-HCXYKTFWSA-N 2 0 340.552 3.307 20 0 EGADRP CCCc1ccc([C@H]([NH2+]CCCN2CCC[C@@H]2C(N)=O)C(C)C)cc1 ZINC000540301719 314373273 /nfs/dbraw/zinc/37/32/73/314373273.db2.gz NTQDLOQDRYAERG-WOJBJXKFSA-N 2 0 345.531 3.266 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000540464147 314382367 /nfs/dbraw/zinc/38/23/67/314382367.db2.gz PJLFKPCCRFGQGH-OXJNMPFZSA-N 2 0 333.520 3.435 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCCC2 ZINC000540597698 314391563 /nfs/dbraw/zinc/39/15/63/314391563.db2.gz SSLSVTCPGGMFNS-VQTJNVASSA-N 2 0 346.515 3.454 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)[NH+](C)C)cc1 ZINC000542486410 314550071 /nfs/dbraw/zinc/55/00/71/314550071.db2.gz HZXKSMVNNCBUDU-MAUKXSAKSA-N 2 0 333.520 3.135 20 0 EGADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000549780913 315104031 /nfs/dbraw/zinc/10/40/31/315104031.db2.gz XYTGUJIEYWOLTI-RVZJWNSFSA-N 2 0 349.316 3.379 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000549796747 315104879 /nfs/dbraw/zinc/10/48/79/315104879.db2.gz HPHWVHDSWVAKJT-FPOVZHCZSA-N 2 0 348.506 3.173 20 0 EGADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193369 /nfs/dbraw/zinc/19/33/69/315193369.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 2 0 341.543 3.361 20 0 EGADRP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552247136 315208705 /nfs/dbraw/zinc/20/87/05/315208705.db2.gz CPDWZCCXRUYCSZ-IVAOSVALSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000552406595 315218813 /nfs/dbraw/zinc/21/88/13/315218813.db2.gz FHQKPIIALQCWEE-RQXATKFSSA-N 2 0 328.500 3.038 20 0 EGADRP O[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000554390636 315315363 /nfs/dbraw/zinc/31/53/63/315315363.db2.gz MHIPBWDXQYJJNM-WRTQPQOASA-N 2 0 328.500 3.180 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000559257673 315624250 /nfs/dbraw/zinc/62/42/50/315624250.db2.gz LQAUJKJEDSNTLL-OCCSQVGLSA-N 2 0 325.294 3.236 20 0 EGADRP c1cc(OCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc2c1OCO2 ZINC000561369535 315759095 /nfs/dbraw/zinc/75/90/95/315759095.db2.gz GMFMDPYMLKKARV-UHFFFAOYSA-N 2 0 346.471 3.181 20 0 EGADRP COc1ccc(-c2cnc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000563670482 316053069 /nfs/dbraw/zinc/05/30/69/316053069.db2.gz RQRREPLVZFQMMV-FUHWJXTLSA-N 2 0 341.455 3.314 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000564200677 316122391 /nfs/dbraw/zinc/12/23/91/316122391.db2.gz LBRCWSMJAAGVKJ-LBPRGKRZSA-N 2 0 346.256 3.330 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000564822849 316212401 /nfs/dbraw/zinc/21/24/01/316212401.db2.gz RRZSCRJDDCPPHN-BHDDXSALSA-N 2 0 341.543 3.266 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000564822665 316212448 /nfs/dbraw/zinc/21/24/48/316212448.db2.gz KVDDMYKYMGDCBO-AWEZNQCLSA-N 2 0 325.294 3.284 20 0 EGADRP Clc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565093058 316263720 /nfs/dbraw/zinc/26/37/20/316263720.db2.gz JEPUNKNLZRLNDL-FQEVSTJZSA-N 2 0 341.886 3.132 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000110821662 454853902 /nfs/dbraw/zinc/85/39/02/454853902.db2.gz ZHTYWTJDUVSKFH-SUMWQHHRSA-N 2 0 349.316 3.380 20 0 EGADRP C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2c(s1)CCCC2 ZINC000571432002 317198900 /nfs/dbraw/zinc/19/89/00/317198900.db2.gz AFGVABXRTBFYMC-LBPRGKRZSA-N 2 0 345.516 3.063 20 0 EGADRP OCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC(c2ccccc2)C1 ZINC000572224172 317307894 /nfs/dbraw/zinc/30/78/94/317307894.db2.gz DHRRHNQCLCZCTO-UHFFFAOYSA-N 2 0 328.500 3.007 20 0 EGADRP C[C@@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000573625766 317510934 /nfs/dbraw/zinc/51/09/34/317510934.db2.gz QQPMNNWQAVFFEX-FQEVSTJZSA-N 2 0 343.559 3.404 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000574472226 317601823 /nfs/dbraw/zinc/60/18/23/317601823.db2.gz WSKBZDDTUGGFML-CYBMUJFWSA-N 2 0 325.522 3.023 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000237110923 456234485 /nfs/dbraw/zinc/23/44/85/456234485.db2.gz QVTLUSZEWYFMHE-UHFFFAOYSA-N 2 0 330.303 3.111 20 0 EGADRP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH+]3CCC[C@H]3C2)CCC1 ZINC000387371613 324270816 /nfs/dbraw/zinc/27/08/16/324270816.db2.gz IHJIAVSCDSDTEL-PMACEKPBSA-N 2 0 327.516 3.258 20 0 EGADRP CCn1cncc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417947316 324302658 /nfs/dbraw/zinc/30/26/58/324302658.db2.gz GHDJLZLQMHLJAN-HKUYNNGSSA-N 2 0 326.488 3.293 20 0 EGADRP CSc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000576792442 324682046 /nfs/dbraw/zinc/68/20/46/324682046.db2.gz NMPFJXSJLYJDRE-UHFFFAOYSA-N 2 0 334.514 3.229 20 0 EGADRP CCC(CC)(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000576821568 324687689 /nfs/dbraw/zinc/68/76/89/324687689.db2.gz SHCCGJVSJXSKGU-BRWVUGGUSA-N 2 0 348.535 3.321 20 0 EGADRP CCCCO[C@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC000577990454 324898805 /nfs/dbraw/zinc/89/88/05/324898805.db2.gz PIBLEKPIGIKXKE-CVEARBPZSA-N 2 0 328.566 3.387 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc2cccnc12 ZINC000579087877 325060277 /nfs/dbraw/zinc/06/02/77/325060277.db2.gz DGWVPJXIMNDFRN-VQTJNVASSA-N 2 0 339.483 3.262 20 0 EGADRP CC(C)Cc1ncc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000579094745 325061824 /nfs/dbraw/zinc/06/18/24/325061824.db2.gz IULQRAWDWQNILK-RDJZCZTQSA-N 2 0 337.533 3.060 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H](O)CN(C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222255 325079341 /nfs/dbraw/zinc/07/93/41/325079341.db2.gz GFAXRHGIRZABNX-CXAGYDPISA-N 2 0 344.421 3.244 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000579567815 325128436 /nfs/dbraw/zinc/12/84/36/325128436.db2.gz OEACVWUKGHEXTG-IOMROCGXSA-N 2 0 327.516 3.102 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000579958515 325182883 /nfs/dbraw/zinc/18/28/83/325182883.db2.gz HWLKJSVLKWPSBQ-IRXDYDNUSA-N 2 0 349.482 3.209 20 0 EGADRP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580315411 325233633 /nfs/dbraw/zinc/23/36/33/325233633.db2.gz HKDATTWUEVBIST-LSDHHAIUSA-N 2 0 330.451 3.017 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000580548286 325265861 /nfs/dbraw/zinc/26/58/61/325265861.db2.gz MOOVHWJQWNCCMK-VQIMIIECSA-N 2 0 345.531 3.352 20 0 EGADRP CCC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000580657749 325279953 /nfs/dbraw/zinc/27/99/53/325279953.db2.gz XFNMKCNVTVRQGN-UHFFFAOYSA-N 2 0 345.531 3.196 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1OC ZINC000582436281 325441301 /nfs/dbraw/zinc/44/13/01/325441301.db2.gz HTMWIKZPPHUJBJ-QGTPRVQTSA-N 2 0 334.504 3.406 20 0 EGADRP FC(F)(F)Oc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000583812266 325553470 /nfs/dbraw/zinc/55/34/70/325553470.db2.gz AAUGQQDGGRBJTN-OAHLLOKOSA-N 2 0 328.378 3.407 20 0 EGADRP c1cnn(CCC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183127438 455233758 /nfs/dbraw/zinc/23/37/58/455233758.db2.gz LCJDYTFVAIFSAG-HBMCJLEFSA-N 2 0 338.499 3.164 20 0 EGADRP CCOC[C@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@@H]1COCC ZINC000459700040 458451581 /nfs/dbraw/zinc/45/15/81/458451581.db2.gz DICDLHFGAGLAES-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000183177508 455245052 /nfs/dbraw/zinc/24/50/52/455245052.db2.gz HAWHQSZAYOCAJI-IAGOWNOFSA-N 2 0 344.434 3.025 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000183228120 455255142 /nfs/dbraw/zinc/25/51/42/455255142.db2.gz AVMIXMMSGHTHDS-IBGZPJMESA-N 2 0 341.455 3.046 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2sccc2Br)CC[NH2+]CC1 ZINC000566092472 459803900 /nfs/dbraw/zinc/80/39/00/459803900.db2.gz VNLJTBRNOFTDPN-NSHDSACASA-N 2 0 347.322 3.177 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](CC)CC2)cc1)C(C)C ZINC000264718042 455269747 /nfs/dbraw/zinc/26/97/47/455269747.db2.gz GAIJSEAYKDRNAJ-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000159109809 455353404 /nfs/dbraw/zinc/35/34/04/455353404.db2.gz XQVASTMOPKIFQJ-LJQANCHMSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000081362159 453864859 /nfs/dbraw/zinc/86/48/59/453864859.db2.gz PIFXPAAHUVEKDA-IBGZPJMESA-N 2 0 345.531 3.332 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1Cl ZINC000075836589 453929992 /nfs/dbraw/zinc/92/99/92/453929992.db2.gz IPXTXVRDVCTMLD-INIZCTEOSA-N 2 0 349.906 3.476 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)cc(C)c1 ZINC000076330789 453989413 /nfs/dbraw/zinc/98/94/13/453989413.db2.gz MVVALVAUPKQZOC-LJQANCHMSA-N 2 0 346.519 3.183 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000056522852 454064744 /nfs/dbraw/zinc/06/47/44/454064744.db2.gz QTHCJIZVFRGMSN-KRWDZBQOSA-N 2 0 331.504 3.294 20 0 EGADRP CCN(C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056525153 454065339 /nfs/dbraw/zinc/06/53/39/454065339.db2.gz QUUDCSXQHBFHRY-KRWDZBQOSA-N 2 0 331.504 3.092 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cccc(O)c2)C[C@@H](C)O1 ZINC000069833279 454150950 /nfs/dbraw/zinc/15/09/50/454150950.db2.gz AKEYABJTUXMBED-IAGOWNOFSA-N 2 0 340.467 3.291 20 0 EGADRP CC(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000130343318 454191654 /nfs/dbraw/zinc/19/16/54/454191654.db2.gz OMZHFDHNQRHSCD-FQEVSTJZSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000090408378 454301139 /nfs/dbraw/zinc/30/11/39/454301139.db2.gz ZCXNBLHOXOZKHW-UTKZUKDTSA-N 2 0 329.532 3.413 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)o1 ZINC000046949294 454305843 /nfs/dbraw/zinc/30/58/43/454305843.db2.gz ZDGZEYUDDYEYNA-SFHVURJKSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450656 454307016 /nfs/dbraw/zinc/30/70/16/454307016.db2.gz XNUHHIONULKYPX-UHIISALHSA-N 2 0 332.275 3.086 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000132143885 454316674 /nfs/dbraw/zinc/31/66/74/454316674.db2.gz BROSXIDKMWQMSR-UHFFFAOYSA-N 2 0 337.939 3.482 20 0 EGADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090810546 454343086 /nfs/dbraw/zinc/34/30/86/454343086.db2.gz PJMXNJRLVAVBJP-LPHOPBHVSA-N 2 0 336.520 3.321 20 0 EGADRP CC1CC[NH+](CCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000078966179 454346374 /nfs/dbraw/zinc/34/63/74/454346374.db2.gz VHHSVTRFPRPWER-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000132586242 454349630 /nfs/dbraw/zinc/34/96/30/454349630.db2.gz OVLFAZWHPDFCTH-FCHUYYIVSA-N 2 0 343.559 3.178 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937098 454351621 /nfs/dbraw/zinc/35/16/21/454351621.db2.gz PGFUYAWYKLYEAT-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3sccc32)ccn1 ZINC000090936960 454351913 /nfs/dbraw/zinc/35/19/13/454351913.db2.gz ZOYNABQVARRWHK-MRXNPFEDSA-N 2 0 331.485 3.251 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)CN1CC[NH+](C)CC1 ZINC000120866237 454358214 /nfs/dbraw/zinc/35/82/14/454358214.db2.gz YRZYEJGIBVVSEJ-KGLIPLIRSA-N 2 0 327.875 3.013 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000121035348 454381684 /nfs/dbraw/zinc/38/16/84/454381684.db2.gz DIIHIFWHUXNZAT-WIYYLYMNSA-N 2 0 329.532 3.491 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000121125325 454395055 /nfs/dbraw/zinc/39/50/55/454395055.db2.gz YDTOUNVVWJNJHT-QUCCMNQESA-N 2 0 332.536 3.032 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000121162069 454399922 /nfs/dbraw/zinc/39/99/22/454399922.db2.gz JZEIZCBUQCSICY-QUCCMNQESA-N 2 0 345.531 3.072 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000121371560 454427715 /nfs/dbraw/zinc/42/77/15/454427715.db2.gz SODOJYRQJMWEBF-NRFANRHFSA-N 2 0 329.532 3.064 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000121443013 454435220 /nfs/dbraw/zinc/43/52/20/454435220.db2.gz JJFRXIAJNKOEDG-IPELMVKDSA-N 2 0 341.430 3.367 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000133651195 454450920 /nfs/dbraw/zinc/45/09/20/454450920.db2.gz IZSQWDAIDZTJNK-DVOMOZLQSA-N 2 0 341.293 3.146 20 0 EGADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000121891431 454489523 /nfs/dbraw/zinc/48/95/23/454489523.db2.gz DNEMYJSEKTYSLZ-FOIQADDNSA-N 2 0 326.484 3.463 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123110673 454602914 /nfs/dbraw/zinc/60/29/14/454602914.db2.gz UKTASSNILBEUQC-HXUWFJFHSA-N 2 0 348.531 3.097 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000105476760 454641131 /nfs/dbraw/zinc/64/11/31/454641131.db2.gz LRTCKBUJGXSKNE-UHFFFAOYSA-N 2 0 327.472 3.064 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051958520 454642468 /nfs/dbraw/zinc/64/24/68/454642468.db2.gz SIGOWVCXPXHMMQ-UHFFFAOYSA-N 2 0 346.515 3.117 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000052210084 454661076 /nfs/dbraw/zinc/66/10/76/454661076.db2.gz CXAWQUXRHGHXQC-IBGZPJMESA-N 2 0 340.458 3.442 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123808950 454678125 /nfs/dbraw/zinc/67/81/25/454678125.db2.gz TUOGJAMEFRRAGL-JXFKEZNVSA-N 2 0 340.467 3.281 20 0 EGADRP CC(C)c1nc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cs1 ZINC000635006987 460649711 /nfs/dbraw/zinc/64/97/11/460649711.db2.gz CVFZFEZKLQNGFA-ZDUSSCGKSA-N 2 0 331.489 3.244 20 0 EGADRP CN(c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000093443302 454715729 /nfs/dbraw/zinc/71/57/29/454715729.db2.gz AJGYQDGGHACSRG-HDICACEKSA-N 2 0 327.516 3.449 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000635008823 460651742 /nfs/dbraw/zinc/65/17/42/460651742.db2.gz HLSHTKHCEFZQSH-DYESRHJHSA-N 2 0 341.543 3.465 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162188845 454757819 /nfs/dbraw/zinc/75/78/19/454757819.db2.gz PPPVUVNIHBXLCF-HSMVNMDESA-N 2 0 343.284 3.449 20 0 EGADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010485 460653739 /nfs/dbraw/zinc/65/37/39/460653739.db2.gz MJTJHCIIGVDSLD-IBGZPJMESA-N 2 0 326.415 3.475 20 0 EGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162527301 454781209 /nfs/dbraw/zinc/78/12/09/454781209.db2.gz FRBBYEMPKYYSBN-CVEARBPZSA-N 2 0 346.544 3.015 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000162518409 454781294 /nfs/dbraw/zinc/78/12/94/454781294.db2.gz MSRKSXIIBOPHHY-NSHDSACASA-N 2 0 336.332 3.343 20 0 EGADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162577498 454784745 /nfs/dbraw/zinc/78/47/45/454784745.db2.gz LYKMAECXDVFYLO-IBGZPJMESA-N 2 0 347.547 3.400 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000162570479 454784754 /nfs/dbraw/zinc/78/47/54/454784754.db2.gz CREFBAWIDXUSGV-AWEZNQCLSA-N 2 0 343.487 3.289 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000137736605 454784924 /nfs/dbraw/zinc/78/49/24/454784924.db2.gz OLPXHCIOGAWOHR-QGZVFWFLSA-N 2 0 347.503 3.078 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162585601 454785352 /nfs/dbraw/zinc/78/53/52/454785352.db2.gz JFGAIOXOUKOZHG-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000162590951 454786300 /nfs/dbraw/zinc/78/63/00/454786300.db2.gz QDWWDQQZBYONMF-GOSISDBHSA-N 2 0 338.499 3.037 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000153367293 454786880 /nfs/dbraw/zinc/78/68/80/454786880.db2.gz OCAPAWGROOCEQG-UMGGQSCQSA-N 2 0 345.531 3.150 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000124997844 454789140 /nfs/dbraw/zinc/78/91/40/454789140.db2.gz ASRVLQUWJNMUQD-GIVPXCGWSA-N 2 0 329.532 3.452 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000163239378 454833299 /nfs/dbraw/zinc/83/32/99/454833299.db2.gz FAPXZPGYVLJTOU-FSAOVCISSA-N 3 0 329.532 3.358 20 0 EGADRP C[C@@H]([N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1(C)CC1 ZINC000177222862 454839133 /nfs/dbraw/zinc/83/91/33/454839133.db2.gz NDFOAOYJSLDURP-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCCCC1 ZINC000177284470 454846576 /nfs/dbraw/zinc/84/65/76/454846576.db2.gz HWLQKMJLZBKUIL-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000126184053 454876506 /nfs/dbraw/zinc/87/65/06/454876506.db2.gz GZWZCBQAJFRWQM-SBHAEUEKSA-N 2 0 348.531 3.489 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000154253792 454878306 /nfs/dbraw/zinc/87/83/06/454878306.db2.gz LOOIVEYEANSBPN-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cn2)CC1 ZINC000112519857 454889310 /nfs/dbraw/zinc/88/93/10/454889310.db2.gz BAOAXDISMIQEDH-HXUWFJFHSA-N 2 0 336.483 3.001 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164844465 454890232 /nfs/dbraw/zinc/89/02/32/454890232.db2.gz OOAHAJKIANZBDK-HDICACEKSA-N 2 0 345.531 3.169 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc2c(s1)CCCC2 ZINC000154374488 454890507 /nfs/dbraw/zinc/89/05/07/454890507.db2.gz AQGKUVKRZSVEHM-INIZCTEOSA-N 2 0 335.561 3.305 20 0 EGADRP Cc1cccc(COc2ccc([C@@H](C)NC[C@@H](O)C[NH+](C)C)cc2)c1 ZINC000154390277 454891615 /nfs/dbraw/zinc/89/16/15/454891615.db2.gz BCSCHMYVIMAMLM-YLJYHZDGSA-N 2 0 342.483 3.147 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150804073 454895043 /nfs/dbraw/zinc/89/50/43/454895043.db2.gz UEFPMAUOLPRERU-INIZCTEOSA-N 2 0 347.528 3.155 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000112683967 454896202 /nfs/dbraw/zinc/89/62/02/454896202.db2.gz HPMJXMNWNGLPOZ-NRFANRHFSA-N 2 0 346.515 3.026 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150820077 454897626 /nfs/dbraw/zinc/89/76/26/454897626.db2.gz QUHNOZKUCYQNJZ-ZWKOTPCHSA-N 2 0 329.488 3.048 20 0 EGADRP Cc1c([C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)nnn1-c1ccc(F)cc1 ZINC000165309495 454897975 /nfs/dbraw/zinc/89/79/75/454897975.db2.gz RIPLJFWZMYRCKA-HUUCEWRRSA-N 2 0 345.466 3.097 20 0 EGADRP CCc1nc(C)c([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)s1 ZINC000154452393 454898380 /nfs/dbraw/zinc/89/83/80/454898380.db2.gz ZAQSRQJPKPOOLS-HNNXBMFYSA-N 2 0 338.565 3.082 20 0 EGADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000166412086 454912127 /nfs/dbraw/zinc/91/21/27/454912127.db2.gz ILXXEQHSJGCWMD-VQIMIIECSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000126732969 454914714 /nfs/dbraw/zinc/91/47/14/454914714.db2.gz DEWJMVFRQHFHAD-QGZVFWFLSA-N 2 0 341.474 3.424 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000168757207 454928016 /nfs/dbraw/zinc/92/80/16/454928016.db2.gz NODQOPQORXSORY-FUHWJXTLSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000155272902 454981595 /nfs/dbraw/zinc/98/15/95/454981595.db2.gz NOSGTDHXHSAJJI-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000127665553 454985711 /nfs/dbraw/zinc/98/57/11/454985711.db2.gz WDJDABOHTYAILI-NWDGAFQWSA-N 2 0 348.293 3.419 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(C)c(C)s2)[C@H](C)C1 ZINC000127721994 454991600 /nfs/dbraw/zinc/99/16/00/454991600.db2.gz GJUKNKYSTWPQEV-PBHICJAKSA-N 2 0 339.549 3.029 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000155368475 454992509 /nfs/dbraw/zinc/99/25/09/454992509.db2.gz GQYRDFQHJSXZRJ-MLGOLLRUSA-N 2 0 343.284 3.451 20 0 EGADRP O[C@H](C[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1cccs1 ZINC000178976641 454994860 /nfs/dbraw/zinc/99/48/60/454994860.db2.gz HVFGEZNBGPTNDF-GOSISDBHSA-N 2 0 330.497 3.283 20 0 EGADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000155585959 455019371 /nfs/dbraw/zinc/01/93/71/455019371.db2.gz GHDIOODHDNCGJL-PXNSSMCTSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128433201 455055787 /nfs/dbraw/zinc/05/57/87/455055787.db2.gz RFVRLBLMYOLTKN-LJQANCHMSA-N 2 0 347.547 3.400 20 0 EGADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000179634932 455062838 /nfs/dbraw/zinc/06/28/38/455062838.db2.gz XFHNYZBFPMMLSR-GOSISDBHSA-N 2 0 334.467 3.409 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180110945 455133434 /nfs/dbraw/zinc/13/34/34/455133434.db2.gz ALQNCKGPRGIFJG-NQIIRXRSSA-N 2 0 329.532 3.236 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182824429 455172292 /nfs/dbraw/zinc/17/22/92/455172292.db2.gz JHIPWMIDWXGBIA-UZLBHIALSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000237341855 455175501 /nfs/dbraw/zinc/17/55/01/455175501.db2.gz HNSPBILOEPZQNU-CRAIPNDOSA-N 2 0 331.504 3.051 20 0 EGADRP COC(=O)c1cc2cc(C[NH+]3CCC(CC[NH+](C)C)CC3)ccc2o1 ZINC000172828021 455193731 /nfs/dbraw/zinc/19/37/31/455193731.db2.gz GMXKNRKQWFMZOD-UHFFFAOYSA-N 2 0 344.455 3.383 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000237676183 455206712 /nfs/dbraw/zinc/20/67/12/455206712.db2.gz RDQTXJRAANEIOB-JXFKEZNVSA-N 2 0 329.488 3.247 20 0 EGADRP COC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000158197966 455279663 /nfs/dbraw/zinc/27/96/63/455279663.db2.gz CSRKSAWRWWVSFS-BBRMVZONSA-N 2 0 330.394 3.324 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)n1 ZINC000245305031 455281979 /nfs/dbraw/zinc/28/19/79/455281979.db2.gz HRBXCNAGMIKIGO-CTNGQTDRSA-N 2 0 338.499 3.248 20 0 EGADRP CCN(C(=O)CN1CC[C@@H](C[N@H+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442537 455301529 /nfs/dbraw/zinc/30/15/29/455301529.db2.gz ICLTZISYCBOUAQ-SJORKVTESA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)c1cnc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000183564867 455306471 /nfs/dbraw/zinc/30/64/71/455306471.db2.gz JRZLKPKOYJXCJV-HUUCEWRRSA-N 2 0 325.522 3.246 20 0 EGADRP CCN(CC)C(=O)[C@H](NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000173618030 455316671 /nfs/dbraw/zinc/31/66/71/455316671.db2.gz ALKOBYPDKZUQLP-LJQANCHMSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000173616621 455316897 /nfs/dbraw/zinc/31/68/97/455316897.db2.gz OKZXSVVRQVJRET-CQSZACIVSA-N 2 0 337.895 3.438 20 0 EGADRP CN(C(=O)C1CCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245630995 455344192 /nfs/dbraw/zinc/34/41/92/455344192.db2.gz DKIUJFBIUSFMBW-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000245932444 455403141 /nfs/dbraw/zinc/40/31/41/455403141.db2.gz SPNTZOGOPRKIPL-NZSAHSFTSA-N 2 0 338.536 3.061 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246354846 455475386 /nfs/dbraw/zinc/47/53/86/455475386.db2.gz IASXNDYFKXXZKO-CGRMTHRGSA-N 2 0 328.500 3.277 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)nc1 ZINC000182269863 455476341 /nfs/dbraw/zinc/47/63/41/455476341.db2.gz ODBMOZXNDFRBFP-KDOFPFPSSA-N 2 0 345.874 3.152 20 0 EGADRP [NH3+]CC1(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000185338013 455543978 /nfs/dbraw/zinc/54/39/78/455543978.db2.gz RGSUMISLIVMUCP-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](C(=O)NCC1CCCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247027026 455547104 /nfs/dbraw/zinc/54/71/04/455547104.db2.gz YDIPTMCRSMYJIF-POAQFYNOSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247205566 455573615 /nfs/dbraw/zinc/57/36/15/455573615.db2.gz WQZDRAABOKAION-QZTJIDSGSA-N 2 0 333.520 3.010 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000247270351 455580805 /nfs/dbraw/zinc/58/08/05/455580805.db2.gz FLXIDMCLPWUUJO-XLIONFOSSA-N 2 0 345.531 3.329 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000601021575 460679278 /nfs/dbraw/zinc/67/92/78/460679278.db2.gz DUSPGZXMSCIBAJ-MISYRCLQSA-N 2 0 345.531 3.352 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000247301626 455585303 /nfs/dbraw/zinc/58/53/03/455585303.db2.gz FKXLUVMPFKAILF-AOIWGVFYSA-N 2 0 340.471 3.410 20 0 EGADRP CC(C)CN(C(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185671655 455593042 /nfs/dbraw/zinc/59/30/42/455593042.db2.gz FNZYPDPJQREHHI-ZWKOTPCHSA-N 2 0 337.552 3.122 20 0 EGADRP Cc1cc(C)cc(NC(=O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185684107 455595948 /nfs/dbraw/zinc/59/59/48/455595948.db2.gz NHKBVAHACAZWSF-ROUUACIJSA-N 2 0 343.515 3.485 20 0 EGADRP C[C@H](NCC(=O)N(C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702345 455600922 /nfs/dbraw/zinc/60/09/22/455600922.db2.gz HWHDBESCSSRRMK-IRXDYDNUSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000283894945 455608989 /nfs/dbraw/zinc/60/89/89/455608989.db2.gz KFVRQYQSRSMNOS-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP C[C@@H]1CCC[C@](CNC(=O)c2sccc2C[NH+](C)C)([NH+](C)C)C1 ZINC000268178961 455611445 /nfs/dbraw/zinc/61/14/45/455611445.db2.gz WEDQCHZLILYUPV-KDOFPFPSSA-N 2 0 337.533 3.050 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000192448153 455619361 /nfs/dbraw/zinc/61/93/61/455619361.db2.gz OKBZZUSGXUEZBA-SOAGJPPSSA-N 2 0 344.499 3.218 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1Cl)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247529035 455619473 /nfs/dbraw/zinc/61/94/73/455619473.db2.gz OCAZMIYSZDBLLF-HUUCEWRRSA-N 2 0 337.895 3.473 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccsc1 ZINC000284020346 455624218 /nfs/dbraw/zinc/62/42/18/455624218.db2.gz NSKJPRDLFPSFIT-QGZVFWFLSA-N 2 0 342.468 3.209 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)c1ccsc1 ZINC000192518109 455635701 /nfs/dbraw/zinc/63/57/01/455635701.db2.gz RZQOJIOZKGIMKE-PKOBYXMFSA-N 2 0 345.512 3.121 20 0 EGADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284161524 455644424 /nfs/dbraw/zinc/64/44/24/455644424.db2.gz DZYQALGGXIVIBR-ROUUACIJSA-N 2 0 333.520 3.152 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(OC)cc32)[C@@H](C)C1 ZINC000247929151 455655992 /nfs/dbraw/zinc/65/59/92/455655992.db2.gz BWMOKAVUDOWORQ-NDXORKPFSA-N 2 0 346.515 3.409 20 0 EGADRP c1ccc(CSCC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000192630116 455657248 /nfs/dbraw/zinc/65/72/48/455657248.db2.gz QAMYTBXJKPGDNZ-GOSISDBHSA-N 2 0 334.529 3.010 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271504092 455662246 /nfs/dbraw/zinc/66/22/46/455662246.db2.gz MQMDJIDSSZAFRB-YSSFQJQWSA-N 2 0 332.488 3.114 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000247990312 455666160 /nfs/dbraw/zinc/66/61/60/455666160.db2.gz JHBSXUVUZIFRTG-SFTDATJTSA-N 2 0 330.516 3.143 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000268404506 455674018 /nfs/dbraw/zinc/67/40/18/455674018.db2.gz SOWCZYMWTYUMSB-LJQANCHMSA-N 2 0 345.531 3.236 20 0 EGADRP COC(=O)c1cc([C@@H](C)N2CCC([NH+]3CCCCC3)CC2)oc1C ZINC000292481454 455674781 /nfs/dbraw/zinc/67/47/81/455674781.db2.gz ANNOKCRRUMNNFF-CQSZACIVSA-N 2 0 334.460 3.386 20 0 EGADRP COc1ccc([C@@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192715682 455676877 /nfs/dbraw/zinc/67/68/77/455676877.db2.gz KFDGWUPCLXKRNJ-GOSISDBHSA-N 2 0 333.520 3.104 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000268423696 455680337 /nfs/dbraw/zinc/68/03/37/455680337.db2.gz MKBOIZNTCKQVPO-UHFFFAOYSA-N 2 0 346.446 3.411 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)(C)c1ccccc1 ZINC000271571800 455687853 /nfs/dbraw/zinc/68/78/53/455687853.db2.gz YTWHKVDWEQRDMP-PWIZWCRZSA-N 2 0 330.516 3.320 20 0 EGADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000271575343 455689177 /nfs/dbraw/zinc/68/91/77/455689177.db2.gz ZIMUJHUSPSLXKB-RYGJVYDSSA-N 2 0 332.488 3.114 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000192791622 455694038 /nfs/dbraw/zinc/69/40/38/455694038.db2.gz XIFZZBHMLNFVLW-OAQYLSRUSA-N 2 0 349.538 3.399 20 0 EGADRP CSC[C@H]1CCC[N@H+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000292562332 455698108 /nfs/dbraw/zinc/69/81/08/455698108.db2.gz ZKPQUKXKQIFVHB-DLBZAZTESA-N 2 0 347.528 3.089 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000192831173 455702347 /nfs/dbraw/zinc/70/23/47/455702347.db2.gz SAMRHWMVANNEHO-OAHLLOKOSA-N 2 0 334.460 3.074 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000268898186 455723288 /nfs/dbraw/zinc/72/32/88/455723288.db2.gz OAOUXFNQGXHUFG-POAQFYNOSA-N 2 0 328.456 3.130 20 0 EGADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000268905222 455725532 /nfs/dbraw/zinc/72/55/32/455725532.db2.gz GNZZMMKIWYDGFU-MSOLQXFVSA-N 2 0 334.504 3.071 20 0 EGADRP COc1ccccc1C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C(C)C ZINC000268905473 455725635 /nfs/dbraw/zinc/72/56/35/455725635.db2.gz LVACEYREBDMYTO-PMACEKPBSA-N 2 0 348.531 3.089 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000616994286 460692581 /nfs/dbraw/zinc/69/25/81/460692581.db2.gz YBQXYSBMJXCPTK-GOSISDBHSA-N 2 0 343.515 3.133 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000271803753 455766642 /nfs/dbraw/zinc/76/66/42/455766642.db2.gz XYPNJALUBQQFIR-HBMCJLEFSA-N 2 0 328.500 3.495 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000271829330 455778420 /nfs/dbraw/zinc/77/84/20/455778420.db2.gz RLBSPPUYHCIWOR-NVXWUHKLSA-N 2 0 331.460 3.168 20 0 EGADRP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C(C)(C)O1 ZINC000269091440 455787513 /nfs/dbraw/zinc/78/75/13/455787513.db2.gz QSZJYOLPTKUTFJ-IBGZPJMESA-N 2 0 346.515 3.079 20 0 EGADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186569994 455796078 /nfs/dbraw/zinc/79/60/78/455796078.db2.gz JCZACRRRKUKTLH-RBUKOAKNSA-N 2 0 331.548 3.358 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000186569959 455796123 /nfs/dbraw/zinc/79/61/23/455796123.db2.gz JCZACRRRKUKTLH-OALUTQOASA-N 2 0 331.548 3.358 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCc3ccc(O)cc32)C[C@@H](C)O1 ZINC000285314839 455822540 /nfs/dbraw/zinc/82/25/40/455822540.db2.gz SUFZFIXCFYHPDW-QINHECLXSA-N 2 0 332.488 3.249 20 0 EGADRP C[N@H+](CCCc1nc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285352740 455829031 /nfs/dbraw/zinc/82/90/31/455829031.db2.gz AYHFTPKSKUXTCD-JWTNVVGKSA-N 2 0 340.471 3.226 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000285445105 455848060 /nfs/dbraw/zinc/84/80/60/455848060.db2.gz LRCGCXHBPHIORP-KRWDZBQOSA-N 2 0 326.488 3.393 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000285551412 455867367 /nfs/dbraw/zinc/86/73/67/455867367.db2.gz UPWDBWOCIPLHJM-QGZVFWFLSA-N 2 0 326.488 3.393 20 0 EGADRP CC(C)n1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272245413 455890443 /nfs/dbraw/zinc/89/04/43/455890443.db2.gz XGEAZMAYPNRVGI-XLIONFOSSA-N 2 0 326.488 3.464 20 0 EGADRP C[C@H](NCCC[N@H+](C)C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285665958 455892223 /nfs/dbraw/zinc/89/22/23/455892223.db2.gz NCWWXMBRZAXSEH-HNNXBMFYSA-N 2 0 345.487 3.323 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000187391025 455904208 /nfs/dbraw/zinc/90/42/08/455904208.db2.gz XBSOCUFGTYRILH-UTKZUKDTSA-N 2 0 348.494 3.226 20 0 EGADRP Cc1ccc(C)c([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc2)c1 ZINC000272351984 455923394 /nfs/dbraw/zinc/92/33/94/455923394.db2.gz DEPKMDRURQLHSM-OAQYLSRUSA-N 2 0 338.495 3.439 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000187754317 455947528 /nfs/dbraw/zinc/94/75/28/455947528.db2.gz VYBKKQAQYCJBPV-NVXWUHKLSA-N 2 0 339.524 3.237 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000187763501 455950060 /nfs/dbraw/zinc/95/00/60/455950060.db2.gz LCFZSZBLSBHLRW-QGZVFWFLSA-N 2 0 338.517 3.180 20 0 EGADRP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000280387631 455961009 /nfs/dbraw/zinc/96/10/09/455961009.db2.gz USFRKFKNDCGHBH-HBMCJLEFSA-N 2 0 330.516 3.394 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261957914 455977452 /nfs/dbraw/zinc/97/74/52/455977452.db2.gz REJKOOKFPXUYPQ-IBGZPJMESA-N 2 0 341.499 3.043 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000296584257 455980844 /nfs/dbraw/zinc/98/08/44/455980844.db2.gz XATQZQWKVRCITH-IAGOWNOFSA-N 2 0 331.504 3.065 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000270551125 455981538 /nfs/dbraw/zinc/98/15/38/455981538.db2.gz ZWVKHCAQHBOWME-PLACYPQZSA-N 2 0 340.511 3.098 20 0 EGADRP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000262022049 455986367 /nfs/dbraw/zinc/98/63/67/455986367.db2.gz WGTJXDKTYIMMQF-SXLOBPIMSA-N 2 0 336.483 3.409 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262165792 456007151 /nfs/dbraw/zinc/00/71/51/456007151.db2.gz VYDRAERSDUVVCN-OXJNMPFZSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604450 456010315 /nfs/dbraw/zinc/01/03/15/456010315.db2.gz YYNFKTXHDKNCON-YUXAGFNASA-N 2 0 338.495 3.090 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272608421 456013176 /nfs/dbraw/zinc/01/31/76/456013176.db2.gz ZLHKQYDFGXRHLC-MAUKXSAKSA-N 2 0 329.513 3.494 20 0 EGADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272679695 456037056 /nfs/dbraw/zinc/03/70/56/456037056.db2.gz MSIKTZGLTJFNHN-HSROGRKHSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2cccnc2)C2CCC2)C[C@@H](C)O1 ZINC000280800628 456054669 /nfs/dbraw/zinc/05/46/69/456054669.db2.gz IKASDNJIYGDXRZ-MBOZVWFJSA-N 2 0 331.504 3.402 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263261026 456117582 /nfs/dbraw/zinc/11/75/82/456117582.db2.gz MJOFRGSCLJEZHD-WSCSCYJOSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000230307648 456135918 /nfs/dbraw/zinc/13/59/18/456135918.db2.gz AFOQGZKOHRJLFE-UHFFFAOYSA-N 2 0 333.220 3.159 20 0 EGADRP CC(C)(C)CC[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236606646 456158486 /nfs/dbraw/zinc/15/84/86/456158486.db2.gz JZKSXXJPYJOHDU-GOSISDBHSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1c(Cl)cccc1-n1ccnc1 ZINC000297280120 456170583 /nfs/dbraw/zinc/17/05/83/456170583.db2.gz LHEUBMSPXSENEC-CPUCHLNUSA-N 3 0 332.879 3.344 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000236756655 456181022 /nfs/dbraw/zinc/18/10/22/456181022.db2.gz WAVRIXXPHYOMIH-IAGOWNOFSA-N 2 0 339.911 3.357 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000297330105 456186376 /nfs/dbraw/zinc/18/63/76/456186376.db2.gz CUGMJMLFRUVUFZ-ZKIDJSGLSA-N 2 0 348.556 3.396 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)c1ccccc1 ZINC000236886669 456198173 /nfs/dbraw/zinc/19/81/73/456198173.db2.gz QOOYRFJFLWUMLL-TZIWHRDSSA-N 2 0 339.483 3.060 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1)C(C)C ZINC000236922963 456201891 /nfs/dbraw/zinc/20/18/91/456201891.db2.gz BWEULZKWSVBFCW-LJQANCHMSA-N 2 0 333.520 3.362 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000301750631 456205609 /nfs/dbraw/zinc/20/56/09/456205609.db2.gz JZLXWMFPPYJKHC-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000237037574 456221853 /nfs/dbraw/zinc/22/18/53/456221853.db2.gz BRPQMCWPNLCXNG-XKQJLSEDSA-N 2 0 339.911 3.213 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(CCOC)CCCCC2)CC1 ZINC000189122971 456234014 /nfs/dbraw/zinc/23/40/14/456234014.db2.gz NNTWLSVTYVCXMM-UHFFFAOYSA-N 2 0 326.525 3.064 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000237190738 456244421 /nfs/dbraw/zinc/24/44/21/456244421.db2.gz KPRKEOULLWAYKS-RTBURBONSA-N 2 0 343.446 3.025 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000290215244 456268959 /nfs/dbraw/zinc/26/89/59/456268959.db2.gz HOQLTEAIECIQAP-KXBFYZLASA-N 2 0 325.456 3.360 20 0 EGADRP CCOC(=O)[C@H](CC)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342867468 456283530 /nfs/dbraw/zinc/28/35/30/456283530.db2.gz BUYUDSGLGJLLMH-IBGZPJMESA-N 2 0 344.499 3.316 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352780674 456300228 /nfs/dbraw/zinc/30/02/28/456300228.db2.gz PVBTWRFJQVKXSM-CYBMUJFWSA-N 2 0 347.484 3.044 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2cc(O)cc(F)c2)CC1 ZINC000275739575 456300972 /nfs/dbraw/zinc/30/09/72/456300972.db2.gz POIVGKQGNARMSL-LJQANCHMSA-N 2 0 343.446 3.413 20 0 EGADRP C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297829103 456303741 /nfs/dbraw/zinc/30/37/41/456303741.db2.gz ZNELJZPOLOGQEO-YOEHRIQHSA-N 2 0 331.485 3.214 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000336791811 456310509 /nfs/dbraw/zinc/31/05/09/456310509.db2.gz PDNUQOHKCJOVLI-IBGZPJMESA-N 2 0 340.467 3.403 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000340201031 456310693 /nfs/dbraw/zinc/31/06/93/456310693.db2.gz IGPIBHOPCRQGJG-SJLPKXTDSA-N 2 0 336.520 3.495 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000275790022 456315193 /nfs/dbraw/zinc/31/51/93/456315193.db2.gz GOLRCEBHDDZZNX-GOSISDBHSA-N 2 0 343.515 3.384 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000275790024 456315326 /nfs/dbraw/zinc/31/53/26/456315326.db2.gz GOLRCEBHDDZZNX-SFHVURJKSA-N 2 0 343.515 3.384 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297994810 456339484 /nfs/dbraw/zinc/33/94/84/456339484.db2.gz YZKPFIRONYEMPH-OALUTQOASA-N 2 0 345.531 3.075 20 0 EGADRP Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000343055553 456376158 /nfs/dbraw/zinc/37/61/58/456376158.db2.gz ADXXYEXYILQFJE-ROUUACIJSA-N 2 0 345.874 3.414 20 0 EGADRP CN1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C[C@@H]1c1ccccc1 ZINC000340307323 456376839 /nfs/dbraw/zinc/37/68/39/456376839.db2.gz VEZUMTFRPBBDQJ-SLFFLAALSA-N 2 0 344.499 3.140 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC(F)F ZINC000290632555 456388681 /nfs/dbraw/zinc/38/86/81/456388681.db2.gz YBTXYQDNOCVGLT-CABCVRRESA-N 2 0 340.414 3.213 20 0 EGADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000352890779 456393630 /nfs/dbraw/zinc/39/36/30/456393630.db2.gz ALYSNUMUCMJHDD-APWZRJJASA-N 2 0 332.488 3.337 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000340346854 456405423 /nfs/dbraw/zinc/40/54/23/456405423.db2.gz ABCULFQPSWUNLU-KRWDZBQOSA-N 2 0 348.535 3.010 20 0 EGADRP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337592383 456406266 /nfs/dbraw/zinc/40/62/66/456406266.db2.gz ICJYBBLMUSXKQI-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000298327228 456425422 /nfs/dbraw/zinc/42/54/22/456425422.db2.gz IPQUBLIRVGWIRO-UHFFFAOYSA-N 2 0 326.444 3.022 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000303283354 456456394 /nfs/dbraw/zinc/45/63/94/456456394.db2.gz VDORKTVVIMRDON-IBGZPJMESA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000303514335 456464796 /nfs/dbraw/zinc/46/47/96/456464796.db2.gz DGDCNNABTATLSF-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474008 456480664 /nfs/dbraw/zinc/48/06/64/456480664.db2.gz GBKNXHPAHUONBL-WMZOPIPTSA-N 2 0 327.447 3.436 20 0 EGADRP Clc1cccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298558858 456491250 /nfs/dbraw/zinc/49/12/50/456491250.db2.gz VRIGLHAMRHJMJH-UHFFFAOYSA-N 2 0 331.847 3.372 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000276622271 456534395 /nfs/dbraw/zinc/53/43/95/456534395.db2.gz LOQUEADKZPHDSM-FQEVSTJZSA-N 2 0 340.467 3.500 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(-c2cnn(C)c2)s1)C[NH+]1CCCCC1 ZINC000337785374 456544756 /nfs/dbraw/zinc/54/47/56/456544756.db2.gz BACJGKGZZCCAJY-OAHLLOKOSA-N 2 0 332.517 3.360 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000340586147 456548599 /nfs/dbraw/zinc/54/85/99/456548599.db2.gz JZSOSRRAIDJIBF-WOJBJXKFSA-N 2 0 339.483 3.099 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353204074 456557632 /nfs/dbraw/zinc/55/76/32/456557632.db2.gz LZJKURVXMMGFPT-RTWAWAEBSA-N 2 0 343.515 3.019 20 0 EGADRP CSC1(C[NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000353230778 456575381 /nfs/dbraw/zinc/57/53/81/456575381.db2.gz STACLHZPJRXCAR-MJGOQNOKSA-N 2 0 347.572 3.066 20 0 EGADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000321092337 456634528 /nfs/dbraw/zinc/63/45/28/456634528.db2.gz NQCRQKQQLUGQEE-CCKFTAQKSA-N 2 0 332.875 3.264 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000343466308 456639805 /nfs/dbraw/zinc/63/98/05/456639805.db2.gz IZTCFFZMOLPZMY-FQEVSTJZSA-N 2 0 345.531 3.220 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CSCCc3ccccc32)CCCO1 ZINC000348421348 456679267 /nfs/dbraw/zinc/67/92/67/456679267.db2.gz MZLLZQAWCNEWBE-APWZRJJASA-N 2 0 334.529 3.108 20 0 EGADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000325868422 456688059 /nfs/dbraw/zinc/68/80/59/456688059.db2.gz KLKYGHBRLPJISO-HSALFYBXSA-N 2 0 327.516 3.340 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000327265769 456705529 /nfs/dbraw/zinc/70/55/29/456705529.db2.gz CHDKAPFKXCHATQ-LJQANCHMSA-N 2 0 340.471 3.350 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000343578343 456718376 /nfs/dbraw/zinc/71/83/76/456718376.db2.gz JRCHWYMIQBCBGJ-KRWDZBQOSA-N 2 0 325.541 3.074 20 0 EGADRP CC(C)Cc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000353516736 456729321 /nfs/dbraw/zinc/72/93/21/456729321.db2.gz JMCDGQGZGBQNTG-FXAWDEMLSA-N 2 0 345.531 3.123 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)cc1 ZINC000299578332 456732882 /nfs/dbraw/zinc/73/28/82/456732882.db2.gz CGPAPSQBLKIFBP-PMACEKPBSA-N 2 0 343.515 3.275 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000291725564 456734482 /nfs/dbraw/zinc/73/44/82/456734482.db2.gz NFJCDNDVDQQADM-LEWJYISDSA-N 2 0 328.500 3.033 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000277240208 456739287 /nfs/dbraw/zinc/73/92/87/456739287.db2.gz MZQOHTJIPBSPCY-UYAOXDASSA-N 2 0 348.556 3.263 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353545351 456748350 /nfs/dbraw/zinc/74/83/50/456748350.db2.gz LXFSVOKYRRULHR-DYESRHJHSA-N 2 0 345.506 3.377 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553606 456754736 /nfs/dbraw/zinc/75/47/36/456754736.db2.gz SNZIFYYAHYOHDU-RTBURBONSA-N 2 0 344.499 3.363 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC000277279419 456757542 /nfs/dbraw/zinc/75/75/42/456757542.db2.gz SKLJJXAGDPFGCK-FUHWJXTLSA-N 2 0 334.504 3.432 20 0 EGADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343692109 456768182 /nfs/dbraw/zinc/76/81/82/456768182.db2.gz AQWYUPLXAKAJOG-IERDGZPVSA-N 2 0 345.506 3.303 20 0 EGADRP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343806810 456775438 /nfs/dbraw/zinc/77/54/38/456775438.db2.gz FHJRDXAQAWQWEC-PZJWPPBQSA-N 2 0 330.516 3.382 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353585948 456784542 /nfs/dbraw/zinc/78/45/42/456784542.db2.gz ATNVXTGALNMVRA-ZLIDZYOXSA-N 2 0 328.500 3.005 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC[NH+](C)CC1 ZINC000353610459 456802082 /nfs/dbraw/zinc/80/20/82/456802082.db2.gz MWDIHXBJADEBCS-INIZCTEOSA-N 2 0 344.528 3.350 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353621329 456809297 /nfs/dbraw/zinc/80/92/97/456809297.db2.gz LZCZSHLQGXLYEW-RYRKJORJSA-N 2 0 340.471 3.134 20 0 EGADRP CSC1(C[NH2+]C2CCC3(CCOCC3)CC2)CC[NH+](C)CC1 ZINC000353650541 456829225 /nfs/dbraw/zinc/82/92/25/456829225.db2.gz RIDVGQCMFXYBSM-UHFFFAOYSA-N 2 0 326.550 3.143 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(-c2ccnn2C)c1 ZINC000338949080 456870004 /nfs/dbraw/zinc/87/00/04/456870004.db2.gz UOHGNMMLNBDONH-UHFFFAOYSA-N 2 0 326.488 3.169 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000353758156 456894319 /nfs/dbraw/zinc/89/43/19/456894319.db2.gz WAQUZXJYOUGYBX-LPHOPBHVSA-N 2 0 331.504 3.273 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000349376116 456956589 /nfs/dbraw/zinc/95/65/89/456956589.db2.gz FBKMXLVCWJZGQS-IRXDYDNUSA-N 2 0 335.561 3.475 20 0 EGADRP CC[NH+](CC)CCOC1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000353958614 456979718 /nfs/dbraw/zinc/97/97/18/456979718.db2.gz AUFXZSYIUXJABR-UHFFFAOYSA-N 2 0 325.884 3.371 20 0 EGADRP CC(C)C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000345689587 456987721 /nfs/dbraw/zinc/98/77/21/456987721.db2.gz JHXIXWVHBJXNRI-VQTJNVASSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000341891168 456989551 /nfs/dbraw/zinc/98/95/51/456989551.db2.gz HMRBTFZGERYSLN-LJQANCHMSA-N 2 0 338.499 3.253 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)CC[C@H]2C)cc1 ZINC000354009378 457005869 /nfs/dbraw/zinc/00/58/69/457005869.db2.gz VGXKKNCFYKTKIS-QGZVFWFLSA-N 2 0 331.504 3.085 20 0 EGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000339253095 457020285 /nfs/dbraw/zinc/02/02/85/457020285.db2.gz FBWBPLDFZLZNSG-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP Cc1[nH]nc2ncc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc12 ZINC000354082638 457050321 /nfs/dbraw/zinc/05/03/21/457050321.db2.gz LJNCWZSYLSCIPV-UHFFFAOYSA-N 2 0 341.503 3.354 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]21 ZINC000342098739 457107376 /nfs/dbraw/zinc/10/73/76/457107376.db2.gz ISANXRKMNHTERL-SESVDKBCSA-N 2 0 337.467 3.220 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@H]21 ZINC000342098736 457107712 /nfs/dbraw/zinc/10/77/12/457107712.db2.gz ISANXRKMNHTERL-CEWLAPEOSA-N 2 0 337.467 3.220 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000356764468 457156903 /nfs/dbraw/zinc/15/69/03/457156903.db2.gz CSZRUPRABDZASS-SNVBAGLBSA-N 2 0 332.311 3.288 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCOC1 ZINC000356849508 457183183 /nfs/dbraw/zinc/18/31/83/457183183.db2.gz PNWIDYJQAJDLLT-NEYJZJCJSA-N 2 0 346.515 3.201 20 0 EGADRP CCNC(=O)C1(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000362986895 457184674 /nfs/dbraw/zinc/18/46/74/457184674.db2.gz OJZRATFVGDEYJL-UHFFFAOYSA-N 2 0 345.531 3.041 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871756 457189759 /nfs/dbraw/zinc/18/97/59/457189759.db2.gz OYEFEZDJLCWKBG-OAHLLOKOSA-N 2 0 335.458 3.113 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000347106962 457232003 /nfs/dbraw/zinc/23/20/03/457232003.db2.gz OAAKGAAXLIANHA-CYBMUJFWSA-N 2 0 332.879 3.300 20 0 EGADRP c1cnc(Oc2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)cn1 ZINC000347168302 457268061 /nfs/dbraw/zinc/26/80/61/457268061.db2.gz MJKPBODYHABYIX-IBGZPJMESA-N 2 0 338.455 3.233 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357019183 457280113 /nfs/dbraw/zinc/28/01/13/457280113.db2.gz VVTSSPURVRLOAO-RCCFBDPRSA-N 2 0 337.552 3.266 20 0 EGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)cc1 ZINC000347194384 457281899 /nfs/dbraw/zinc/28/18/99/457281899.db2.gz GVXBTDVUSHHWRU-CYBMUJFWSA-N 2 0 331.485 3.378 20 0 EGADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357039912 457292725 /nfs/dbraw/zinc/29/27/25/457292725.db2.gz BJQYRSXCNRVOTN-PZJWPPBQSA-N 2 0 344.499 3.066 20 0 EGADRP COc1cc(C)nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000339822595 457293100 /nfs/dbraw/zinc/29/31/00/457293100.db2.gz VLLBHIGMVZBWBB-UHFFFAOYSA-N 2 0 331.504 3.487 20 0 EGADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000342422029 457294979 /nfs/dbraw/zinc/29/49/79/457294979.db2.gz YQKKWCOUNNMENV-MJGOQNOKSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(OC)nc2)CC1)CC1CC1 ZINC000357080327 457312000 /nfs/dbraw/zinc/31/20/00/457312000.db2.gz GGNRQCGPHMHUPF-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357085782 457314708 /nfs/dbraw/zinc/31/47/08/457314708.db2.gz NZIBTVSFYPWFKE-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320024 457351219 /nfs/dbraw/zinc/35/12/19/457351219.db2.gz PKPFAOUVXANCLD-KXEVLKFVSA-N 2 0 327.516 3.112 20 0 EGADRP CCOC(=O)CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352433914 457364433 /nfs/dbraw/zinc/36/44/33/457364433.db2.gz ZBGIJOIKKCWWMK-VQTJNVASSA-N 2 0 344.499 3.174 20 0 EGADRP COc1cccc2c(N3CCC(OCC[NH+](C)C)CC3)cc(C)nc12 ZINC000360870816 457396198 /nfs/dbraw/zinc/39/61/98/457396198.db2.gz JJVVKTUVROCMJI-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000355661096 457397419 /nfs/dbraw/zinc/39/74/19/457397419.db2.gz RHLPNRCJTMXWBU-JFIYKMOQSA-N 2 0 331.504 3.105 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000387683020 457432668 /nfs/dbraw/zinc/43/26/68/457432668.db2.gz SOJIOZXPMUHRJQ-LJQANCHMSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360943580 457451134 /nfs/dbraw/zinc/45/11/34/457451134.db2.gz WBUONKOOMKJLFI-RUYXUALKSA-N 2 0 330.520 3.008 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000347477021 457453479 /nfs/dbraw/zinc/45/34/79/457453479.db2.gz MSUHQBQLHJGVLA-LPHOPBHVSA-N 2 0 331.504 3.052 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cn1 ZINC000352554589 457462487 /nfs/dbraw/zinc/46/24/87/457462487.db2.gz HFRGOMVCDRRURD-SFHVURJKSA-N 2 0 331.435 3.402 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3nc(-c4ccsc4)no3)C2)CC1 ZINC000374074806 457470421 /nfs/dbraw/zinc/47/04/21/457470421.db2.gz NOFJFHXIVDKSLO-UHFFFAOYSA-N 2 0 332.473 3.106 20 0 EGADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000347509517 457474827 /nfs/dbraw/zinc/47/48/27/457474827.db2.gz AYEHSGBPSAJYHD-QGZVFWFLSA-N 2 0 341.499 3.018 20 0 EGADRP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000360968873 457474853 /nfs/dbraw/zinc/47/48/53/457474853.db2.gz NPFHTDJTZYQOBC-UHFFFAOYSA-N 2 0 346.858 3.478 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC000369962353 457480864 /nfs/dbraw/zinc/48/08/64/457480864.db2.gz XSRLAZTYKBLKRR-VQTJNVASSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342724773 457480938 /nfs/dbraw/zinc/48/09/38/457480938.db2.gz HIYCEVKWBVILLZ-GJYPPUQNSA-N 2 0 329.488 3.388 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342732731 457485382 /nfs/dbraw/zinc/48/53/82/457485382.db2.gz LTUYIXLLVKIWCP-UFYCRDLUSA-N 2 0 343.515 3.118 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC(F)F ZINC000397295134 457485923 /nfs/dbraw/zinc/48/59/23/457485923.db2.gz ZGVRJRJCIRIDEW-OBJOEFQTSA-N 2 0 328.403 3.102 20 0 EGADRP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401010084 457521558 /nfs/dbraw/zinc/52/15/58/457521558.db2.gz RFBMAAWGIZQDSN-DOIPELPJSA-N 2 0 327.516 3.019 20 0 EGADRP C[C@H](C[NH2+]Cc1ncc(CN(C)C)s1)Oc1ccc(Cl)cc1 ZINC000352709776 457548844 /nfs/dbraw/zinc/54/88/44/457548844.db2.gz GBKVONWNTIKIQZ-GFCCVEGCSA-N 2 0 339.892 3.415 20 0 EGADRP Cc1[nH+]ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1Cl ZINC000352751467 457582209 /nfs/dbraw/zinc/58/22/09/457582209.db2.gz FLMKBECAWYLXGT-UHFFFAOYSA-N 2 0 345.874 3.034 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000361165908 457624925 /nfs/dbraw/zinc/62/49/25/457624925.db2.gz ZIRASDYHYFXMKE-OXQOHEQNSA-N 2 0 339.483 3.078 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370624607 457684926 /nfs/dbraw/zinc/68/49/26/457684926.db2.gz NBQJIRBQFMQKCU-XFQAVAEZSA-N 2 0 345.506 3.207 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCSc4ccc(F)cc43)C2)CC1 ZINC000370624866 457685004 /nfs/dbraw/zinc/68/50/04/457685004.db2.gz QUWUNMWKLCXLEG-QAPCUYQASA-N 2 0 349.519 3.121 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000370653445 457691615 /nfs/dbraw/zinc/69/16/15/457691615.db2.gz LZIFVBNBSTZBBA-ICSRJNTNSA-N 2 0 326.488 3.373 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000357813402 457699377 /nfs/dbraw/zinc/69/93/77/457699377.db2.gz GWNLDNDIPUXSAJ-QWFCFKBJSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)s1 ZINC000370691485 457702022 /nfs/dbraw/zinc/70/20/22/457702022.db2.gz SWXLHICYBTTWMM-UHFFFAOYSA-N 2 0 335.561 3.355 20 0 EGADRP CN(Cc1ccc(Cl)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000364861564 457707736 /nfs/dbraw/zinc/70/77/36/457707736.db2.gz TXXOLHKQCLLGPT-UHFFFAOYSA-N 2 0 344.890 3.269 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(CC[NH+]3CCOCC3)CC1)CC2 ZINC000361400756 457718760 /nfs/dbraw/zinc/71/87/60/457718760.db2.gz RLJLMQIUPCJYRY-HXUWFJFHSA-N 2 0 332.463 3.247 20 0 EGADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000358005511 457738037 /nfs/dbraw/zinc/73/80/37/457738037.db2.gz NHZGEQZEPDTZQC-UIFIKXQLSA-N 2 0 329.532 3.142 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000358026012 457743765 /nfs/dbraw/zinc/74/37/65/457743765.db2.gz UAZNQMCNLRRRCY-FGTMMUONSA-N 2 0 346.515 3.201 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000358026540 457744173 /nfs/dbraw/zinc/74/41/73/457744173.db2.gz QLTPVMDYDQXXMK-FXAWDEMLSA-N 2 0 331.504 3.231 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000433114407 457760022 /nfs/dbraw/zinc/76/00/22/457760022.db2.gz GEDUWCFYUMGSJL-NRFANRHFSA-N 2 0 343.515 3.237 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000433120934 457762064 /nfs/dbraw/zinc/76/20/64/457762064.db2.gz POLIMXXVWZRCCE-PMACEKPBSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1ccccc1[C@H](CC(C)C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127124 457763188 /nfs/dbraw/zinc/76/31/88/457763188.db2.gz RBURIYSKFVQDKY-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000433155360 457767571 /nfs/dbraw/zinc/76/75/71/457767571.db2.gz DTWZPOYEJKACLM-UHFFFAOYSA-N 2 0 349.906 3.034 20 0 EGADRP Cc1ccc([C@H]2CCCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433157645 457767668 /nfs/dbraw/zinc/76/76/68/457767668.db2.gz NEAAVVOQSXUGIE-HXUWFJFHSA-N 2 0 343.515 3.252 20 0 EGADRP CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411201775 457828955 /nfs/dbraw/zinc/82/89/55/457828955.db2.gz SPIGDKBDJFWQHR-NRFANRHFSA-N 2 0 343.515 3.021 20 0 EGADRP COc1ccc(Cl)cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300338 457855401 /nfs/dbraw/zinc/85/54/01/457855401.db2.gz OKXQFQHIIQWUJE-SOLBZPMBSA-N 2 0 338.879 3.032 20 0 EGADRP NC(=O)CCC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411444795 457890261 /nfs/dbraw/zinc/89/02/61/457890261.db2.gz SXBWNWYJRUHLHA-UHFFFAOYSA-N 2 0 343.515 3.150 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000361828740 457890554 /nfs/dbraw/zinc/89/05/54/457890554.db2.gz GTDCESOZUSDIQJ-IBGZPJMESA-N 2 0 338.499 3.344 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](CC(C)C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358257968 457892643 /nfs/dbraw/zinc/89/26/43/457892643.db2.gz VFPKITWITAIKBX-AEFFLSMTSA-N 2 0 340.895 3.092 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)CC1 ZINC000411469476 457895943 /nfs/dbraw/zinc/89/59/43/457895943.db2.gz GSWBVKLODQSVAM-FQEVSTJZSA-N 2 0 345.531 3.272 20 0 EGADRP C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516486 457908437 /nfs/dbraw/zinc/90/84/37/457908437.db2.gz KCTQVOQHOZCBBO-HKUYNNGSSA-N 2 0 349.563 3.316 20 0 EGADRP O[C@]1(C[NH2+][C@H]2CCc3c2cccc3F)CCN(Cc2ccccc2)C1 ZINC000361891506 457934892 /nfs/dbraw/zinc/93/48/92/457934892.db2.gz HZVDLXABAKBFEH-SFTDATJTSA-N 2 0 340.442 3.040 20 0 EGADRP COCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCO[C@H]1C ZINC000411651992 457939937 /nfs/dbraw/zinc/93/99/37/457939937.db2.gz DBIIYKAXHQGKCE-RXVVDRJESA-N 2 0 346.515 3.298 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+](C)C[C@H]3CC[NH+](C)C3)cc2)cs1 ZINC000434186413 457958991 /nfs/dbraw/zinc/95/89/91/457958991.db2.gz IIRZNHZEMBVVNG-KRWDZBQOSA-N 2 0 345.512 3.414 20 0 EGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)n1 ZINC000358407301 457983605 /nfs/dbraw/zinc/98/36/05/457983605.db2.gz UAYNCFPRGNZBGM-LPHOPBHVSA-N 2 0 330.520 3.435 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCOc2cc(C)ccc2C)CC1 ZINC000411812453 457984130 /nfs/dbraw/zinc/98/41/30/457984130.db2.gz YBQMVVWKQSHMIZ-UHFFFAOYSA-N 2 0 347.547 3.078 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000375612624 457989762 /nfs/dbraw/zinc/98/97/62/457989762.db2.gz NWWUBQMLVRLEBZ-GDBMZVCRSA-N 2 0 336.442 3.276 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000375612626 457989870 /nfs/dbraw/zinc/98/98/70/457989870.db2.gz NWWUBQMLVRLEBZ-HOCLYGCPSA-N 2 0 336.442 3.276 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000367894708 457992177 /nfs/dbraw/zinc/99/21/77/457992177.db2.gz FNLCLYNGMYBEJH-BMFZPTHFSA-N 2 0 334.426 3.483 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC000367894283 457992380 /nfs/dbraw/zinc/99/23/80/457992380.db2.gz CESSXFYIKXMSCS-CVEARBPZSA-N 2 0 334.426 3.341 20 0 EGADRP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458290620 458002873 /nfs/dbraw/zinc/00/28/73/458002873.db2.gz RWEMIAJIUMUHPL-UHFFFAOYSA-N 2 0 337.533 3.070 20 0 EGADRP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C(C)(C)C[NH+](C)C ZINC000412125977 458099484 /nfs/dbraw/zinc/09/94/84/458099484.db2.gz DNRGDZXMIKQMDM-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000358618610 458111124 /nfs/dbraw/zinc/11/11/24/458111124.db2.gz WRPWECNSHOYSQO-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375908519 458118284 /nfs/dbraw/zinc/11/82/84/458118284.db2.gz XAAKSAAHTDJEFJ-HXUWFJFHSA-N 2 0 345.531 3.074 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435369414 458120939 /nfs/dbraw/zinc/12/09/39/458120939.db2.gz FFZAWBWGRXAYAQ-HZPDHXFCSA-N 2 0 326.488 3.339 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OCC(F)(F)F ZINC000435369250 458121122 /nfs/dbraw/zinc/12/11/22/458121122.db2.gz DVCVRINQWIZLIX-TZMCWYRMSA-N 2 0 346.393 3.196 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cc2)cs1 ZINC000435370535 458121966 /nfs/dbraw/zinc/12/19/66/458121966.db2.gz JFKMESWJSMOTRJ-CZUORRHYSA-N 2 0 331.485 3.200 20 0 EGADRP C[NH2+]C[C@@H]1CCN(Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435379754 458128948 /nfs/dbraw/zinc/12/89/48/458128948.db2.gz NIIWMWUJDCZUSV-INIZCTEOSA-N 2 0 346.496 3.377 20 0 EGADRP CCOc1c(OC)cc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435381664 458129597 /nfs/dbraw/zinc/12/95/97/458129597.db2.gz VGCWAXIELQJYCV-INIZCTEOSA-N 2 0 336.476 3.067 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000358655820 458132434 /nfs/dbraw/zinc/13/24/34/458132434.db2.gz BQERVUVPBLZBBA-SJORKVTESA-N 2 0 348.535 3.144 20 0 EGADRP CN(Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000435390670 458134420 /nfs/dbraw/zinc/13/44/20/458134420.db2.gz SXTPIGDOYZSGPN-QGZVFWFLSA-N 2 0 338.879 3.082 20 0 EGADRP CCn1ccnc1CN(C(=O)CC(C)(C)CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565107 458162016 /nfs/dbraw/zinc/16/20/16/458162016.db2.gz JRBQAHBNSNNYQI-MRXNPFEDSA-N 2 0 346.519 3.200 20 0 EGADRP c1nc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(N2CCCC2)n1 ZINC000435585127 458166374 /nfs/dbraw/zinc/16/63/74/458166374.db2.gz PXQZKSPSAXPWDM-QGZVFWFLSA-N 2 0 329.492 3.286 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376203022 458232233 /nfs/dbraw/zinc/23/22/33/458232233.db2.gz ILOKWUQPUWNAAO-PGRDOPGGSA-N 2 0 337.511 3.298 20 0 EGADRP C[N@H+](CCCO[C@H]1CCCCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000358828786 458244150 /nfs/dbraw/zinc/24/41/50/458244150.db2.gz LIOKMSQJMLNQLX-RTWAWAEBSA-N 2 0 346.515 3.374 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCOCC[NH+](C)C ZINC000447600567 458319374 /nfs/dbraw/zinc/31/93/74/458319374.db2.gz MSDZBFIFMANWPR-OAHLLOKOSA-N 2 0 333.303 3.482 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459355405 458341423 /nfs/dbraw/zinc/34/14/23/458341423.db2.gz MRDJOHKOWLHOLO-GOSISDBHSA-N 2 0 340.471 3.155 20 0 EGADRP CC1CC[NH+](C[C@@H](O)C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000447820682 458347410 /nfs/dbraw/zinc/34/74/10/458347410.db2.gz HZNVUWAGBQRXPZ-HNNXBMFYSA-N 2 0 342.886 3.094 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CC3CCC(F)(F)CC3)CC2)CC1 ZINC000459381394 458353092 /nfs/dbraw/zinc/35/30/92/458353092.db2.gz BZYMLBPNLRAFKT-UHFFFAOYSA-N 2 0 343.506 3.302 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429692754 458359183 /nfs/dbraw/zinc/35/91/83/458359183.db2.gz WCJUBDYVBPFWQC-INIZCTEOSA-N 2 0 327.472 3.413 20 0 EGADRP c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540342 458404239 /nfs/dbraw/zinc/40/42/39/458404239.db2.gz DKBIUZWWEMGJOQ-QFIPXVFZSA-N 2 0 348.494 3.452 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423452590 458435561 /nfs/dbraw/zinc/43/55/61/458435561.db2.gz ZFKQKJWZDKPIBR-PKOBYXMFSA-N 2 0 343.515 3.047 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661588 458439054 /nfs/dbraw/zinc/43/90/54/458439054.db2.gz MOSNMQJWHFXITI-HUUCEWRRSA-N 2 0 334.426 3.152 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423479216 458439656 /nfs/dbraw/zinc/43/96/56/458439656.db2.gz URXZVRVCTCBCKK-LUYSREMJSA-N 3 0 327.516 3.289 20 0 EGADRP Fc1ccccc1C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423486763 458440819 /nfs/dbraw/zinc/44/08/19/458440819.db2.gz CDYVQBWNBCZUOX-ICSRJNTNSA-N 2 0 328.431 3.078 20 0 EGADRP NC1(C[NH2+][C@H](C2CC2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423532994 458453610 /nfs/dbraw/zinc/45/36/10/458453610.db2.gz WFTURBIEMMSCQT-FQEVSTJZSA-N 2 0 327.516 3.148 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423544252 458456453 /nfs/dbraw/zinc/45/64/53/458456453.db2.gz WJUNXCCPFAZOOD-OAHLLOKOSA-N 2 0 339.252 3.475 20 0 EGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000430549182 458459128 /nfs/dbraw/zinc/45/91/28/458459128.db2.gz HWYYPBHBVDAKEL-HXUWFJFHSA-N 2 0 327.472 3.466 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000430556953 458460962 /nfs/dbraw/zinc/46/09/62/458460962.db2.gz LUHOJFOPYBZUMZ-UHFFFAOYSA-N 2 0 338.499 3.183 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000459735811 458463135 /nfs/dbraw/zinc/46/31/35/458463135.db2.gz PSFMKEBBYSOAIP-WMZOPIPTSA-N 2 0 331.504 3.342 20 0 EGADRP CC[NH2+]CC1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000430586185 458466384 /nfs/dbraw/zinc/46/63/84/458466384.db2.gz YDPZWHWWZWZILL-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000430583865 458467052 /nfs/dbraw/zinc/46/70/52/458467052.db2.gz XZKJBMBEDWTKLV-YJBOKZPZSA-N 2 0 333.520 3.444 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000423652805 458467746 /nfs/dbraw/zinc/46/77/46/458467746.db2.gz YDFVYZQTSFQGCQ-HNNXBMFYSA-N 2 0 343.446 3.049 20 0 EGADRP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000430595012 458468894 /nfs/dbraw/zinc/46/88/94/458468894.db2.gz WWKMMCPVVRKOQB-INIZCTEOSA-N 2 0 336.277 3.460 20 0 EGADRP C[NH2+]C[C@H]1CCCN([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612412 458471946 /nfs/dbraw/zinc/47/19/46/458471946.db2.gz RFECRGVXQYCDMA-UONOGXRCSA-N 2 0 332.423 3.177 20 0 EGADRP [NH3+]CC1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430638658 458474467 /nfs/dbraw/zinc/47/44/67/458474467.db2.gz GENRNPZGOUGDJE-LJQANCHMSA-N 2 0 348.450 3.497 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423730357 458476618 /nfs/dbraw/zinc/47/66/18/458476618.db2.gz POCJRLQBVRNTPH-KSZLIROESA-N 2 0 335.536 3.150 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423736165 458477824 /nfs/dbraw/zinc/47/78/24/458477824.db2.gz CVRYKIFLWVNNRY-XLIONFOSSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423787324 458483400 /nfs/dbraw/zinc/48/34/00/458483400.db2.gz CBBRBHSALYTZGX-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)c1ccc(C[C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000423802037 458486661 /nfs/dbraw/zinc/48/66/61/458486661.db2.gz NVPRAXIZWNOJDF-QGZVFWFLSA-N 2 0 345.531 3.061 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423805224 458487564 /nfs/dbraw/zinc/48/75/64/458487564.db2.gz YZAXAECCIZGXLE-RTBURBONSA-N 2 0 335.536 3.009 20 0 EGADRP COC[C@@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1COC ZINC000452036850 458493419 /nfs/dbraw/zinc/49/34/19/458493419.db2.gz KMMUOGBDVZFAOE-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000430925920 458506555 /nfs/dbraw/zinc/50/65/55/458506555.db2.gz MFXQUPYSESMJKN-CXAGYDPISA-N 2 0 337.533 3.011 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430934461 458507882 /nfs/dbraw/zinc/50/78/82/458507882.db2.gz OYNODQRFALQWJI-HOTGVXAUSA-N 2 0 339.483 3.076 20 0 EGADRP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1cccs1 ZINC000431030416 458518825 /nfs/dbraw/zinc/51/88/25/458518825.db2.gz MQNUCRBGFZEFCA-QGZVFWFLSA-N 2 0 349.544 3.027 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431082523 458526335 /nfs/dbraw/zinc/52/63/35/458526335.db2.gz VBJVWLZDGCEJGH-HNNXBMFYSA-N 2 0 334.439 3.102 20 0 EGADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000373545087 458527389 /nfs/dbraw/zinc/52/73/89/458527389.db2.gz DXAAUAOWNXMOHH-GOSISDBHSA-N 2 0 344.528 3.361 20 0 EGADRP [NH3+][C@H](CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2)CC1CCCCC1 ZINC000424084383 458554137 /nfs/dbraw/zinc/55/41/37/458554137.db2.gz YEWBEMAXMDZWJS-GOSISDBHSA-N 2 0 329.488 3.349 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@H](C)C1 ZINC000424143912 458570263 /nfs/dbraw/zinc/57/02/63/458570263.db2.gz KDLHRRRJQDBANH-QRQLOZEOSA-N 2 0 337.552 3.253 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@H](C)C1 ZINC000424143911 458570664 /nfs/dbraw/zinc/57/06/64/458570664.db2.gz KDLHRRRJQDBANH-NEWSRXKRSA-N 2 0 337.552 3.253 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@@H]1C ZINC000424149872 458571748 /nfs/dbraw/zinc/57/17/48/458571748.db2.gz XSCDFAMRDCTBOC-WDSOQIARSA-N 2 0 337.552 3.396 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1OC ZINC000373698308 458576266 /nfs/dbraw/zinc/57/62/66/458576266.db2.gz UACNOANSBNAWJL-UHFFFAOYSA-N 2 0 332.488 3.292 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000438519991 458590710 /nfs/dbraw/zinc/59/07/10/458590710.db2.gz UQLSHXXZDQVDNV-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP OC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC000438598754 458604664 /nfs/dbraw/zinc/60/46/64/458604664.db2.gz AXANKCFUYVXBMA-PMACEKPBSA-N 2 0 328.500 3.278 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1C(C)(C)C)CC[NH2+]CC2 ZINC000424290515 458605237 /nfs/dbraw/zinc/60/52/37/458605237.db2.gz MTAQUNLHTVOWFH-INIZCTEOSA-N 2 0 343.515 3.387 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc2)n1 ZINC000424294387 458606986 /nfs/dbraw/zinc/60/69/86/458606986.db2.gz QBZSNNDQORCNRR-SFHVURJKSA-N 2 0 338.499 3.453 20 0 EGADRP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424306926 458610594 /nfs/dbraw/zinc/61/05/94/458610594.db2.gz WKQZMAFMQMPEAQ-AEFFLSMTSA-N 2 0 330.451 3.055 20 0 EGADRP CCCc1csc(CN[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)n1 ZINC000494045688 458619026 /nfs/dbraw/zinc/61/90/26/458619026.db2.gz BULODYJPKQHJOF-WBVHZDCISA-N 2 0 339.549 3.322 20 0 EGADRP COc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1OC(C)C ZINC000424385622 458631186 /nfs/dbraw/zinc/63/11/86/458631186.db2.gz WFDXRVOTNJHQDM-INIZCTEOSA-N 2 0 332.488 3.446 20 0 EGADRP CC(C)c1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000462791824 458654608 /nfs/dbraw/zinc/65/46/08/458654608.db2.gz RYAFBTMXGROGFZ-INIZCTEOSA-N 2 0 333.524 3.154 20 0 EGADRP CC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)CC1 ZINC000462851369 458661694 /nfs/dbraw/zinc/66/16/94/458661694.db2.gz CNKOHONBZKNCRB-MRXNPFEDSA-N 2 0 347.890 3.398 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432252528 458705749 /nfs/dbraw/zinc/70/57/49/458705749.db2.gz ZAOPABWYNSFSLU-ZDUSSCGKSA-N 2 0 349.277 3.459 20 0 EGADRP Clc1ccccc1C[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530178675 458709332 /nfs/dbraw/zinc/70/93/32/458709332.db2.gz PXENXPYRAFPJOG-GOSISDBHSA-N 2 0 333.907 3.179 20 0 EGADRP Clc1ccccc1C[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530178676 458709621 /nfs/dbraw/zinc/70/96/21/458709621.db2.gz PXENXPYRAFPJOG-SFHVURJKSA-N 2 0 333.907 3.179 20 0 EGADRP COc1ccc2ccccc2c1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432367534 458725057 /nfs/dbraw/zinc/72/50/57/458725057.db2.gz HLRHECXUOHETLC-KRWDZBQOSA-N 2 0 342.483 3.439 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C12CCCCC2 ZINC000432430665 458739230 /nfs/dbraw/zinc/73/92/30/458739230.db2.gz UDXNGSVNSGHPTB-IPMKNSEASA-N 2 0 338.536 3.205 20 0 EGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCOCC(F)(F)F ZINC000471842002 458740787 /nfs/dbraw/zinc/74/07/87/458740787.db2.gz BYHDFAFRUNPZJF-IAGOWNOFSA-N 2 0 344.421 3.237 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000439956518 458769830 /nfs/dbraw/zinc/76/98/30/458769830.db2.gz MIFMPPWQXTTWDM-PXNSSMCTSA-N 2 0 343.515 3.030 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000472273658 458778894 /nfs/dbraw/zinc/77/88/94/458778894.db2.gz HGFPSHAWGKOOAD-GOSISDBHSA-N 2 0 340.895 3.152 20 0 EGADRP Cc1[nH+]c2ccccc2c(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC000432880530 458806660 /nfs/dbraw/zinc/80/66/60/458806660.db2.gz OGJUEPVJZDHACG-HNNXBMFYSA-N 2 0 327.472 3.186 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000432937872 458816617 /nfs/dbraw/zinc/81/66/17/458816617.db2.gz JAZPCNKWQDAFQA-AWEZNQCLSA-N 2 0 336.476 3.489 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000473319745 458825571 /nfs/dbraw/zinc/82/55/71/458825571.db2.gz JFABBKNYPGRSGN-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000530901694 458843106 /nfs/dbraw/zinc/84/31/06/458843106.db2.gz QJHHTBUXHGNKMV-WMZOPIPTSA-N 2 0 342.487 3.474 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000576936943 458951313 /nfs/dbraw/zinc/95/13/13/458951313.db2.gz OKHVMLMIJLDRKA-RDJZCZTQSA-N 2 0 344.503 3.228 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000576944138 458952065 /nfs/dbraw/zinc/95/20/65/458952065.db2.gz VBDFJXHSGIFPIB-JXFKEZNVSA-N 2 0 347.572 3.259 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000495849882 458975728 /nfs/dbraw/zinc/97/57/28/458975728.db2.gz LOWAQYSHWXMPQR-RDJZCZTQSA-N 2 0 339.524 3.286 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C1 ZINC000577079772 458978437 /nfs/dbraw/zinc/97/84/37/458978437.db2.gz UVVIFLFIEGTMIL-APWZRJJASA-N 2 0 332.419 3.290 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCC[C@H](F)C2)CC1 ZINC000566973056 459029101 /nfs/dbraw/zinc/02/91/01/459029101.db2.gz NSWXJINAHBXUHQ-GJZGRUSLSA-N 2 0 339.886 3.462 20 0 EGADRP COc1ccc2c(c1)OC[C@H](N[C@@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000567041515 459038513 /nfs/dbraw/zinc/03/85/13/459038513.db2.gz JNDWQKWNVFUKOO-CTNGQTDRSA-N 2 0 348.446 3.442 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1(C)C ZINC000442881330 459051460 /nfs/dbraw/zinc/05/14/60/459051460.db2.gz ZFLASCDSXBFAMS-FPOVZHCZSA-N 2 0 329.532 3.112 20 0 EGADRP CC[C@]1(C)C[NH+](CCCCC[N@@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000442886115 459052645 /nfs/dbraw/zinc/05/26/45/459052645.db2.gz PZQZUPPHUFFCIP-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000442928481 459062151 /nfs/dbraw/zinc/06/21/51/459062151.db2.gz PLPKBUBMXUXZRO-KRWDZBQOSA-N 2 0 325.456 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000442979966 459070565 /nfs/dbraw/zinc/07/05/65/459070565.db2.gz QGJOMOGCIWSWGB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000496126639 459077800 /nfs/dbraw/zinc/07/78/00/459077800.db2.gz FHBMXMGUBTZRTC-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000577708879 459078640 /nfs/dbraw/zinc/07/86/40/459078640.db2.gz BERCXBNTZJGEER-VXNCWWDNSA-N 2 0 334.508 3.194 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000443057499 459079599 /nfs/dbraw/zinc/07/95/99/459079599.db2.gz GSMXLQSGBRNWAO-GOSISDBHSA-N 2 0 343.515 3.413 20 0 EGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056838 459079620 /nfs/dbraw/zinc/07/96/20/459079620.db2.gz DJYAFHQXJJACGU-CVEARBPZSA-N 2 0 343.471 3.013 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2(CN3CCOCC3)CCCCC2)ccn1 ZINC000567296164 459081106 /nfs/dbraw/zinc/08/11/06/459081106.db2.gz CTJBBUWTEZIJOH-KRWDZBQOSA-N 2 0 347.503 3.024 20 0 EGADRP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064788 459081065 /nfs/dbraw/zinc/08/10/65/459081065.db2.gz YWSVGHUYFYXCMN-HIFRSBDPSA-N 2 0 348.878 3.436 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060126 459081804 /nfs/dbraw/zinc/08/18/04/459081804.db2.gz OFDWWZQEWWPBPO-CHWSQXEVSA-N 2 0 343.393 3.093 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1 ZINC000532531125 459106140 /nfs/dbraw/zinc/10/61/40/459106140.db2.gz OWVGAARDZMDSMC-HOTGVXAUSA-N 2 0 332.492 3.209 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000567642369 459138883 /nfs/dbraw/zinc/13/88/83/459138883.db2.gz QLGWTBMZCJLGQF-ACRUOGEOSA-N 2 0 345.531 3.472 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(N2CCOC2=O)c1 ZINC000496294716 459140647 /nfs/dbraw/zinc/14/06/47/459140647.db2.gz PATNJRORQREKBX-AWEZNQCLSA-N 2 0 336.395 3.142 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000567678264 459143325 /nfs/dbraw/zinc/14/33/25/459143325.db2.gz OJFBFACOMRVYNT-SVFBPWRDSA-N 2 0 332.532 3.328 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000567678536 459143482 /nfs/dbraw/zinc/14/34/82/459143482.db2.gz VJYJJNATKOXEMJ-APWZRJJASA-N 2 0 338.923 3.345 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000567726732 459155560 /nfs/dbraw/zinc/15/55/60/459155560.db2.gz UBWLVHXLDSDUHO-OAQYLSRUSA-N 2 0 348.531 3.328 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)C1 ZINC000578337583 459184993 /nfs/dbraw/zinc/18/49/93/459184993.db2.gz KWGDHYKRSGFARE-RTBURBONSA-N 2 0 334.467 3.444 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1)CC[NH+](C)C ZINC000578401132 459195107 /nfs/dbraw/zinc/19/51/07/459195107.db2.gz BNKBNQWTLRWDRW-UHFFFAOYSA-N 2 0 349.416 3.160 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000496479746 459207638 /nfs/dbraw/zinc/20/76/38/459207638.db2.gz YNOKYSCEHSPWEF-CABCVRRESA-N 2 0 339.524 3.285 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000533271655 459211327 /nfs/dbraw/zinc/21/13/27/459211327.db2.gz KSEVJXZXZSNZMP-UHFFFAOYSA-N 2 0 328.504 3.168 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([S@](C)=O)C3)CC2)C1 ZINC000595073792 459237618 /nfs/dbraw/zinc/23/76/18/459237618.db2.gz VPEFUJBWGQCVIP-QLNQBVQISA-N 2 0 340.577 3.309 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000590955475 459281044 /nfs/dbraw/zinc/28/10/44/459281044.db2.gz RGRNZBBBKAFIHK-VNTMZGSJSA-N 2 0 348.556 3.397 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496719216 459299383 /nfs/dbraw/zinc/29/93/83/459299383.db2.gz UDPHLCYZIULVMS-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000568618056 459316529 /nfs/dbraw/zinc/31/65/29/459316529.db2.gz HIXWGKWFOWBBHK-FGTMMUONSA-N 2 0 334.504 3.012 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482630095 459318257 /nfs/dbraw/zinc/31/82/57/459318257.db2.gz MLJHUCVVUAMHAB-OXQOHEQNSA-N 3 0 349.950 3.482 20 0 EGADRP CCC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582305487 459344678 /nfs/dbraw/zinc/34/46/78/459344678.db2.gz BHDAWGPFDBCPAI-YTQUADARSA-N 2 0 346.515 3.361 20 0 EGADRP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000568859786 459357336 /nfs/dbraw/zinc/35/73/36/459357336.db2.gz VIKZXOFMDDJUFO-LJQANCHMSA-N 2 0 331.504 3.242 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cncc(Br)c1 ZINC000569002051 459380840 /nfs/dbraw/zinc/38/08/40/459380840.db2.gz VOLBPMJKPHQUDW-LBPRGKRZSA-N 2 0 338.293 3.369 20 0 EGADRP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000582537133 459382152 /nfs/dbraw/zinc/38/21/52/459382152.db2.gz PGBWSAJVAIMLLZ-GDBMZVCRSA-N 2 0 344.434 3.055 20 0 EGADRP CCC(CC)(C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000591657570 459419472 /nfs/dbraw/zinc/41/94/72/459419472.db2.gz CGAITMYUEDBJFP-OAHLLOKOSA-N 2 0 326.525 3.454 20 0 EGADRP Cc1ccccc1[C@H]1CN(C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331180 459433036 /nfs/dbraw/zinc/43/30/36/459433036.db2.gz KRLDLWPPZMGMJB-YLJYHZDGSA-N 2 0 328.431 3.250 20 0 EGADRP C[C@H]1CCC[C@]1(O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000582858503 459439659 /nfs/dbraw/zinc/43/96/59/459439659.db2.gz GUZSNGBEZLMJSR-KXBFYZLASA-N 2 0 336.907 3.445 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3conc3Cc3ccccc3)C2)CC1 ZINC000569704462 459497999 /nfs/dbraw/zinc/49/79/99/459497999.db2.gz MAHWMCPRNLBPRQ-LJQANCHMSA-N 2 0 339.483 3.429 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000486745125 459517390 /nfs/dbraw/zinc/51/73/90/459517390.db2.gz GNGYNKKJHBPUME-FQEVSTJZSA-N 2 0 345.531 3.182 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000497433592 459536502 /nfs/dbraw/zinc/53/65/02/459536502.db2.gz GSQZWMVELABPCD-HKUYNNGSSA-N 2 0 348.535 3.017 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000526974485 459569210 /nfs/dbraw/zinc/56/92/10/459569210.db2.gz GSGIIIDLCPWBAE-IAGOWNOFSA-N 2 0 337.939 3.449 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527632319 459677814 /nfs/dbraw/zinc/67/78/14/459677814.db2.gz MJQYUZAUWFSKMZ-LEWJYISDSA-N 2 0 329.532 3.330 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000500424379 459678477 /nfs/dbraw/zinc/67/84/77/459678477.db2.gz VGOWGWYPUWBUOK-LEWJYISDSA-N 2 0 346.515 3.115 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000563099194 459715259 /nfs/dbraw/zinc/71/52/59/459715259.db2.gz HLQZUQRPLJWNCN-UHFFFAOYSA-N 2 0 332.517 3.403 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000584361916 459720059 /nfs/dbraw/zinc/72/00/59/459720059.db2.gz HTPPAHBPFGXOOW-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000573727697 459724540 /nfs/dbraw/zinc/72/45/40/459724540.db2.gz RLVJFGQRAPWCPB-DLBZAZTESA-N 2 0 339.483 3.174 20 0 EGADRP [NH3+]C1(CNCc2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000584398259 459728263 /nfs/dbraw/zinc/72/82/63/459728263.db2.gz UMTNRVPJOGVMMI-UHFFFAOYSA-N 2 0 345.437 3.048 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccn2ccnc2c1 ZINC000584440011 459737203 /nfs/dbraw/zinc/73/72/03/459737203.db2.gz XXYJLCYIXKFYHM-SFHVURJKSA-N 2 0 349.438 3.120 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784200 459743369 /nfs/dbraw/zinc/74/33/69/459743369.db2.gz CXESEBBYKSSNAG-MOPGFXCFSA-N 2 0 336.907 3.194 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584503444 459754152 /nfs/dbraw/zinc/75/41/52/459754152.db2.gz KTPHTCQCCGONSO-HXUWFJFHSA-N 2 0 345.531 3.137 20 0 EGADRP CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000573931350 459759405 /nfs/dbraw/zinc/75/94/05/459759405.db2.gz SBIDXLAXDHPFOW-HIFRSBDPSA-N 2 0 341.455 3.032 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527857487 459759693 /nfs/dbraw/zinc/75/96/93/459759693.db2.gz CBDBWSHDNBAIHO-GOSISDBHSA-N 2 0 339.886 3.084 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000544897492 459790029 /nfs/dbraw/zinc/79/00/29/459790029.db2.gz MVIQUNMFNUKNQP-GOSISDBHSA-N 3 0 347.547 3.400 20 0 EGADRP CC(C)[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000574344267 459807629 /nfs/dbraw/zinc/80/76/29/459807629.db2.gz CTXIPTGXNAQVNQ-FQEVSTJZSA-N 2 0 345.531 3.235 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000574425143 459818092 /nfs/dbraw/zinc/81/80/92/459818092.db2.gz VKZTXKWDJNUZFS-LJQANCHMSA-N 2 0 344.503 3.325 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545520822 459836467 /nfs/dbraw/zinc/83/64/67/459836467.db2.gz UELOVEMQGFDMPL-GOSISDBHSA-N 3 0 347.547 3.400 20 0 EGADRP C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574865738 459883749 /nfs/dbraw/zinc/88/37/49/459883749.db2.gz PMVXVOZLTNMHFP-JFBXJRRNSA-N 2 0 348.453 3.465 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000593723570 459964178 /nfs/dbraw/zinc/96/41/78/459964178.db2.gz YNFFOBXLIKVFTL-HGHGUNKESA-N 2 0 346.515 3.358 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000621642079 459993873 /nfs/dbraw/zinc/99/38/73/459993873.db2.gz CUJZHHXSVXBJLU-IBGZPJMESA-N 2 0 343.515 3.433 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621645977 459995971 /nfs/dbraw/zinc/99/59/71/459995971.db2.gz OUIBGBRBJPQDBU-ROUUACIJSA-N 2 0 343.515 3.108 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000575774645 460001046 /nfs/dbraw/zinc/00/10/46/460001046.db2.gz OHOSKIJXIOWAEC-QANKJYHBSA-N 2 0 349.906 3.343 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000575880986 460025202 /nfs/dbraw/zinc/02/52/02/460025202.db2.gz CRIBGYFERVZFJW-IEBWSBKVSA-N 2 0 341.430 3.438 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000621764609 460056006 /nfs/dbraw/zinc/05/60/06/460056006.db2.gz JDCLGNBNPAYBST-HXUWFJFHSA-N 2 0 341.499 3.196 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc21 ZINC000621763279 460056111 /nfs/dbraw/zinc/05/61/11/460056111.db2.gz VEJWDYCBIBIYQD-LJQANCHMSA-N 2 0 329.488 3.340 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC1 ZINC000614254371 460070263 /nfs/dbraw/zinc/07/02/63/460070263.db2.gz GIZLDIZEDTWYEY-UHFFFAOYSA-N 2 0 338.455 3.306 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC[NH+](C)CC1 ZINC000589349408 460076731 /nfs/dbraw/zinc/07/67/31/460076731.db2.gz NOATVZMSDCIPCO-GFCCVEGCSA-N 2 0 335.473 3.011 20 0 EGADRP CCc1ccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)s1 ZINC000576813838 460217539 /nfs/dbraw/zinc/21/75/39/460217539.db2.gz PSXDCTOBSZCUOT-UHFFFAOYSA-N 2 0 335.561 3.303 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599310369 460224281 /nfs/dbraw/zinc/22/42/81/460224281.db2.gz WKUZYXROTLSRAF-XLIONFOSSA-N 2 0 343.515 3.019 20 0 EGADRP COC(=O)CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000599317575 460228345 /nfs/dbraw/zinc/22/83/45/460228345.db2.gz CMIXSSPFHOAJOQ-PMACEKPBSA-N 2 0 344.499 3.316 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000603320046 460284312 /nfs/dbraw/zinc/28/43/12/460284312.db2.gz OCEGIAVSCGKXOF-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625996439 460331691 /nfs/dbraw/zinc/33/16/91/460331691.db2.gz CBRRPOVMNJWOQS-SFHVURJKSA-N 2 0 346.519 3.466 20 0 EGADRP CC1(C)C[NH+](C/C=C\C[N@H+]2CC(C)(C)OCC2(C)C)C(C)(C)CO1 ZINC000604390527 460418438 /nfs/dbraw/zinc/41/84/38/460418438.db2.gz ZACVBUYKVOIBIM-KTKRTIGZSA-N 2 0 338.536 3.321 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3ncccc32)cc1 ZINC000631570756 460449669 /nfs/dbraw/zinc/44/96/69/460449669.db2.gz YEKBCNAJWGWNQI-FQEVSTJZSA-N 2 0 325.456 3.189 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000631576429 460452648 /nfs/dbraw/zinc/45/26/48/460452648.db2.gz AHRBBZOIKZQGET-GOSISDBHSA-N 2 0 342.531 3.106 20 0 EGADRP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000631584306 460457236 /nfs/dbraw/zinc/45/72/36/460457236.db2.gz YASUWYCTYRLCHY-GOSISDBHSA-N 2 0 338.495 3.331 20 0 EGADRP C[NH+](C)C[C@@H](N[C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000631660670 460495051 /nfs/dbraw/zinc/49/50/51/460495051.db2.gz TYVFMYDDDOLAKJ-LSDHHAIUSA-N 2 0 338.377 3.239 20 0 EGADRP CC(C)CN1CCO[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623340515 460497294 /nfs/dbraw/zinc/49/72/94/460497294.db2.gz LNMHVHAVDJDVFL-CYBMUJFWSA-N 2 0 336.423 3.213 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733175 460498777 /nfs/dbraw/zinc/49/87/77/460498777.db2.gz YVTXOWJLIBIEAX-QGZVFWFLSA-N 2 0 326.488 3.357 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761689 460513216 /nfs/dbraw/zinc/51/32/16/460513216.db2.gz HDMJFAXCZHEGFN-AWEZNQCLSA-N 2 0 343.471 3.002 20 0 EGADRP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000623886686 460762968 /nfs/dbraw/zinc/76/29/68/460762968.db2.gz IONOXFVCZZMFAG-FPOVZHCZSA-N 2 0 331.548 3.261 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cc2c1 ZINC000629539931 460800555 /nfs/dbraw/zinc/80/05/55/460800555.db2.gz SOHVUXAHRCYUCQ-FBBABVLZSA-N 2 0 339.483 3.262 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543854 460803187 /nfs/dbraw/zinc/80/31/87/460803187.db2.gz FYPWTLYYQFJLQQ-BJJXKVORSA-N 2 0 325.859 3.165 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000617345117 460821643 /nfs/dbraw/zinc/82/16/43/460821643.db2.gz XKHZQEDLCMEZSO-IBGZPJMESA-N 2 0 343.515 3.275 20 0 EGADRP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000629611898 460828711 /nfs/dbraw/zinc/82/87/11/460828711.db2.gz JPYVVVFTQKZBEP-FQEVSTJZSA-N 2 0 326.484 3.164 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc(OC)c1OC ZINC000624119697 460868058 /nfs/dbraw/zinc/86/80/58/460868058.db2.gz HJAGUZXOBJVVOO-CABCVRRESA-N 2 0 336.476 3.095 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121896 460870408 /nfs/dbraw/zinc/87/04/08/460870408.db2.gz FUYJFGMVLPPGCO-AZUAARDMSA-N 2 0 341.503 3.039 20 0 EGADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(N4CCCC4)nc3)c2)CC1 ZINC000629710667 460882281 /nfs/dbraw/zinc/88/22/81/460882281.db2.gz WYYWBGCTSGHODF-UHFFFAOYSA-N 2 0 336.483 3.272 20 0 EGADRP CN1CC[NH+](Cc2ccccc2-c2cccc(C[NH2+]C3CC3)c2)CC1 ZINC000629735142 460894660 /nfs/dbraw/zinc/89/46/60/460894660.db2.gz JWPOYZAVHZQYRQ-UHFFFAOYSA-N 2 0 335.495 3.353 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3coc(-c4cccs4)n3)C2)C1 ZINC000652348823 461142226 /nfs/dbraw/zinc/14/22/26/461142226.db2.gz SKJJLNNFPOYEAB-FMKPAKJESA-N 2 0 347.484 3.121 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349680 461144650 /nfs/dbraw/zinc/14/46/50/461144650.db2.gz YVZJZQPALMYTNU-JOQOYGCGSA-N 2 0 338.879 3.067 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2OCCCCO)CC1 ZINC000637963741 461157014 /nfs/dbraw/zinc/15/70/14/461157014.db2.gz BIKZBHMUFRDGRK-UHFFFAOYSA-N 2 0 334.504 3.002 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363445 461157709 /nfs/dbraw/zinc/15/77/09/461157709.db2.gz DZGDMRKWAYZWIW-ZTFGCOKTSA-N 2 0 338.879 3.209 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641168431 461161073 /nfs/dbraw/zinc/16/10/73/461161073.db2.gz FEMUDLYWFFHARN-FUHWJXTLSA-N 2 0 347.894 3.243 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290704 461167086 /nfs/dbraw/zinc/16/70/86/461167086.db2.gz IIFHSLJUUUERSK-ZBFHGGJFSA-N 2 0 349.906 3.379 20 0 EGADRP CCN(C(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662290296 461168375 /nfs/dbraw/zinc/16/83/75/461168375.db2.gz BXQUKUHRJBKHMJ-MJGOQNOKSA-N 2 0 343.515 3.140 20 0 EGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000662291339 461168500 /nfs/dbraw/zinc/16/85/00/461168500.db2.gz FAQYYIGITDXNMG-INIZCTEOSA-N 2 0 349.906 3.380 20 0 EGADRP CCN(C(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662290292 461168648 /nfs/dbraw/zinc/16/86/48/461168648.db2.gz BXQUKUHRJBKHMJ-HKUYNNGSSA-N 2 0 343.515 3.140 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C ZINC000668189812 461169422 /nfs/dbraw/zinc/16/94/22/461169422.db2.gz PZDITGYLBJARBO-UHFFFAOYSA-N 2 0 338.499 3.217 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292218 461169569 /nfs/dbraw/zinc/16/95/69/461169569.db2.gz CDGDMXKYZKHEMN-QFBILLFUSA-N 2 0 343.515 3.288 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297493 461175467 /nfs/dbraw/zinc/17/54/67/461175467.db2.gz QVBBKFMHRNATQM-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP Brc1cc2c(s1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000662311906 461184718 /nfs/dbraw/zinc/18/47/18/461184718.db2.gz WTOKPQMHSGBQOE-UHFFFAOYSA-N 2 0 329.307 3.258 20 0 EGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CCC[NH3+] ZINC000662314327 461185899 /nfs/dbraw/zinc/18/58/99/461185899.db2.gz PWCCVCRSDDBYCA-CXAGYDPISA-N 2 0 339.430 3.133 20 0 EGADRP C[C@H](c1ccccn1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326880 461195557 /nfs/dbraw/zinc/19/55/57/461195557.db2.gz GCMARTVRPWQYHV-OAHLLOKOSA-N 2 0 339.487 3.212 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638062572 461219814 /nfs/dbraw/zinc/21/98/14/461219814.db2.gz VNYFWKDFFDIVOO-UHFFFAOYSA-N 2 0 349.425 3.056 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)CC1CCCCC1 ZINC000646377478 461219855 /nfs/dbraw/zinc/21/98/55/461219855.db2.gz CLDPPCCCXZQNOA-SLFFLAALSA-N 2 0 349.563 3.303 20 0 EGADRP C[C@H]1C[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137767 461264283 /nfs/dbraw/zinc/26/42/83/461264283.db2.gz NJCABWBLWOROOC-BDKRGJGYSA-N 2 0 341.543 3.138 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659287041 461276443 /nfs/dbraw/zinc/27/64/43/461276443.db2.gz JZVGXRWNQFRLJZ-LJQANCHMSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2OCCCCO)C[C@H]1n1ccnc1 ZINC000638170074 461284005 /nfs/dbraw/zinc/28/40/05/461284005.db2.gz CLSZWDUIGIPHRN-IEBWSBKVSA-N 2 0 343.471 3.118 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662536148 461285896 /nfs/dbraw/zinc/28/58/96/461285896.db2.gz VZOYXEFTLZZOKI-IBGZPJMESA-N 2 0 345.531 3.259 20 0 EGADRP COC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC)c1 ZINC000668511247 461309611 /nfs/dbraw/zinc/30/96/11/461309611.db2.gz GPHZRMVRQUQLRW-HXUWFJFHSA-N 2 0 341.455 3.036 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000633943734 461341704 /nfs/dbraw/zinc/34/17/04/461341704.db2.gz RVUMLKGOQYSUCU-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000633953995 461352320 /nfs/dbraw/zinc/35/23/20/461352320.db2.gz IJFHFPSCUNDOCN-LJQANCHMSA-N 2 0 347.547 3.260 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](c1ccccc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000641770734 461364160 /nfs/dbraw/zinc/36/41/60/461364160.db2.gz CBEMCZVLZMXAQC-NHCUHLMSSA-N 2 0 329.532 3.389 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]CCC3CCOCC3)cc2)C[C@H](C)O1 ZINC000638335031 461374992 /nfs/dbraw/zinc/37/49/92/461374992.db2.gz IGCGPFDUEXVJAZ-ROUUACIJSA-N 2 0 346.515 3.202 20 0 EGADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641799184 461377565 /nfs/dbraw/zinc/37/75/65/461377565.db2.gz OBCNGFSJKJQIFH-QZTJIDSGSA-N 2 0 325.456 3.472 20 0 EGADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000641802648 461379546 /nfs/dbraw/zinc/37/95/46/461379546.db2.gz AIGOIHUYPREHAS-MOPGFXCFSA-N 2 0 337.467 3.398 20 0 EGADRP COc1ncc(CNC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000638377761 461396144 /nfs/dbraw/zinc/39/61/44/461396144.db2.gz KVILUXGZMBGPPZ-UHFFFAOYSA-N 2 0 331.485 3.214 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088921 461450479 /nfs/dbraw/zinc/45/04/79/461450479.db2.gz ZUAOIDVFMMGTAD-AEFFLSMTSA-N 2 0 349.950 3.061 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000647076397 461497431 /nfs/dbraw/zinc/49/74/31/461497431.db2.gz GUZHKJXUJJKHSA-SFHVURJKSA-N 2 0 335.451 3.141 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655850301 461498056 /nfs/dbraw/zinc/49/80/56/461498056.db2.gz UIDNJOOBWNJXSO-VXKWHMMOSA-N 2 0 341.543 3.300 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@@H](C)[C@H]3CC[NH3+])c2cc1OC ZINC000663243095 461524656 /nfs/dbraw/zinc/52/46/56/461524656.db2.gz WZEFWLAARFVQRF-CZUORRHYSA-N 2 0 329.444 3.206 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@H](C)[C@H]3CC[NH3+])c2cc1OC ZINC000663243096 461524888 /nfs/dbraw/zinc/52/48/88/461524888.db2.gz WZEFWLAARFVQRF-XJKSGUPXSA-N 2 0 329.444 3.206 20 0 EGADRP C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344214 461570552 /nfs/dbraw/zinc/57/05/52/461570552.db2.gz PFTVPEAVDRALGO-LJQANCHMSA-N 2 0 333.564 3.495 20 0 EGADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663346970 461577320 /nfs/dbraw/zinc/57/73/20/461577320.db2.gz DJHKVKNJKNOGMC-GOSISDBHSA-N 2 0 332.488 3.306 20 0 EGADRP C[NH+](C)CCOc1ccc(CNc2ccc(C[NH+](C)C)cc2F)cc1 ZINC000666415260 461614302 /nfs/dbraw/zinc/61/43/02/461614302.db2.gz AAZNYZHWDCGIFG-UHFFFAOYSA-N 2 0 345.462 3.440 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000638853315 461618614 /nfs/dbraw/zinc/61/86/14/461618614.db2.gz DXXYJQINYVEDHY-LEWJYISDSA-N 2 0 346.515 3.060 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000638862392 461625885 /nfs/dbraw/zinc/62/58/85/461625885.db2.gz UTFIATOANDAXFK-GOSISDBHSA-N 2 0 335.536 3.151 20 0 EGADRP C[N@@H+]1C[C@@H](CNC2CC[NH+](C(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000647344659 461648191 /nfs/dbraw/zinc/64/81/91/461648191.db2.gz WKDNRRSGUNOGRY-QUCCMNQESA-N 2 0 329.532 3.184 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467556 461656532 /nfs/dbraw/zinc/65/65/32/461656532.db2.gz GRVKEEICENCYCH-QFBILLFUSA-N 2 0 344.499 3.448 20 0 EGADRP c1ccc(CN2CCC[C@@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663469207 461657781 /nfs/dbraw/zinc/65/77/81/461657781.db2.gz PBKNBLSOITWGSG-FCHUYYIVSA-N 2 0 341.543 3.363 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000663470653 461658988 /nfs/dbraw/zinc/65/89/88/461658988.db2.gz VZYIDHJHEKQCAI-NVXWUHKLSA-N 2 0 341.499 3.344 20 0 EGADRP Cc1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(C[NH+](C)C)c1 ZINC000656255751 461679428 /nfs/dbraw/zinc/67/94/28/461679428.db2.gz OOEDBHQCCPSSJZ-IBGZPJMESA-N 2 0 331.504 3.112 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C[C@H]1CCc3nccn3C1)CC2 ZINC000639076639 461710183 /nfs/dbraw/zinc/71/01/83/461710183.db2.gz GWVBPRZLCPJDLT-PBHICJAKSA-N 2 0 341.455 3.082 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)ccc21 ZINC000647477358 461722476 /nfs/dbraw/zinc/72/24/76/461722476.db2.gz XROLVZDPBDRLLY-ROUUACIJSA-N 2 0 342.487 3.032 20 0 EGADRP COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)c2c1 ZINC000643453500 461731353 /nfs/dbraw/zinc/73/13/53/461731353.db2.gz ILLXLIFHNHOSPD-CYBMUJFWSA-N 2 0 338.455 3.232 20 0 EGADRP CC[C@H]1C[N@H+](Cc2cc(-c3ccncc3)ccc2OC)CC[C@@H]1[NH3+] ZINC000647497881 461736228 /nfs/dbraw/zinc/73/62/28/461736228.db2.gz YYDCYFSKKCOVMX-KXBFYZLASA-N 2 0 325.456 3.316 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000639128772 461745216 /nfs/dbraw/zinc/74/52/16/461745216.db2.gz ZVUMDINVLMGYDD-VQIMIIECSA-N 2 0 334.479 3.287 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCCC[NH2+]3)[C@H]3CCC[C@@H]32)cc1 ZINC000643502711 461748932 /nfs/dbraw/zinc/74/89/32/461748932.db2.gz OPIMZHDWYDVNOL-WOZUAGRISA-N 2 0 327.516 3.161 20 0 EGADRP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]C[C@H](C)[NH3+])nc1 ZINC000643527901 461751937 /nfs/dbraw/zinc/75/19/37/461751937.db2.gz UTPBEUMOTFJXCO-LIRRHRJNSA-N 2 0 331.891 3.388 20 0 EGADRP CC[C@H](C)Oc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OC ZINC000647542577 461753979 /nfs/dbraw/zinc/75/39/79/461753979.db2.gz OVWAERYHEWUDJA-INIZCTEOSA-N 2 0 332.488 3.448 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OCC(F)(F)F)cc1 ZINC000643535897 461756488 /nfs/dbraw/zinc/75/64/88/461756488.db2.gz PTJWANRSPJMMLG-SWLSCSKDSA-N 2 0 328.378 3.420 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000639140431 461757419 /nfs/dbraw/zinc/75/74/19/461757419.db2.gz XNIMISHIYRJKQP-GPCCPHFNSA-N 2 0 343.240 3.094 20 0 EGADRP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536876 461757617 /nfs/dbraw/zinc/75/76/17/461757617.db2.gz XJQZPQGPDXBROM-HUUCEWRRSA-N 2 0 335.289 3.477 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544295 461758542 /nfs/dbraw/zinc/75/85/42/461758542.db2.gz ZAQXSSLJXYROIY-ZWKOTPCHSA-N 2 0 332.488 3.306 20 0 EGADRP Cn1cncc1CCC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000653650172 461784075 /nfs/dbraw/zinc/78/40/75/461784075.db2.gz RPPRHQSFYRAYBG-SFHVURJKSA-N 2 0 331.435 3.173 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000639210750 461805185 /nfs/dbraw/zinc/80/51/85/461805185.db2.gz JAFAYHOWMCNVFA-RISCZKNCSA-N 2 0 344.286 3.394 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647788200 461835699 /nfs/dbraw/zinc/83/56/99/461835699.db2.gz DOUASGIAPFBQTJ-FGTMMUONSA-N 2 0 332.488 3.352 20 0 EGADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647788295 461836045 /nfs/dbraw/zinc/83/60/45/461836045.db2.gz HBVWOXIKBNGJDP-SESVDKBCSA-N 3 0 327.516 3.150 20 0 EGADRP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791676 461836941 /nfs/dbraw/zinc/83/69/41/461836941.db2.gz KBLIHIHPFWNTEF-JENIJYKNSA-N 2 0 331.529 3.035 20 0 EGADRP Brc1cccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791897 461837255 /nfs/dbraw/zinc/83/72/55/461837255.db2.gz PJDIJLMIGAXLKL-ZMSDIMECSA-N 2 0 337.305 3.359 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000647797851 461839949 /nfs/dbraw/zinc/83/99/49/461839949.db2.gz FMZGXASJRSGXCZ-DIECFANBSA-N 2 0 342.405 3.107 20 0 EGADRP COc1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000660540131 461840738 /nfs/dbraw/zinc/84/07/38/461840738.db2.gz PMNMQKMYRLDPRL-LJQANCHMSA-N 2 0 343.496 3.250 20 0 EGADRP COc1cc(C)c([C@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000639286532 461843555 /nfs/dbraw/zinc/84/35/55/461843555.db2.gz BQMLFGCKOFYWEA-KRWDZBQOSA-N 2 0 332.488 3.170 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000643973792 461849424 /nfs/dbraw/zinc/84/94/24/461849424.db2.gz VEFQUMSIPKJQLV-HNNXBMFYSA-N 2 0 340.471 3.049 20 0 EGADRP Clc1ccc(-c2noc([C@@H]3CCC[N@H+](C[C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000647883995 461870253 /nfs/dbraw/zinc/87/02/53/461870253.db2.gz SOWHTWCDMBSIJI-DZGCQCFKSA-N 2 0 346.862 3.179 20 0 EGADRP Clc1ccc(Br)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952049 461885686 /nfs/dbraw/zinc/88/56/86/461885686.db2.gz DFVBCPNBZJGMRZ-ZDUSSCGKSA-N 2 0 329.669 3.334 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954041 461886585 /nfs/dbraw/zinc/88/65/85/461886585.db2.gz OKANOGYOOKTZGM-XHDPSFHLSA-N 2 0 341.268 3.251 20 0 EGADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647936651 461893607 /nfs/dbraw/zinc/89/36/07/461893607.db2.gz JDBNPGPQANQPTD-WFASDCNBSA-N 2 0 343.393 3.093 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785167 461896294 /nfs/dbraw/zinc/89/62/94/461896294.db2.gz JWZROMMEPQXQMU-OAQYLSRUSA-N 2 0 338.499 3.143 20 0 EGADRP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707769 461901569 /nfs/dbraw/zinc/90/15/69/461901569.db2.gz MVMGHJJLVSJCHL-UXLLHSPISA-N 2 0 337.533 3.060 20 0 EGADRP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707771 461902372 /nfs/dbraw/zinc/90/23/72/461902372.db2.gz MVMGHJJLVSJCHL-ZMSDIMECSA-N 2 0 337.533 3.060 20 0 EGADRP CCCOc1ccc(OCCN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660651466 461903546 /nfs/dbraw/zinc/90/35/46/461903546.db2.gz AJGRBZMUFXVJHK-HXUWFJFHSA-N 2 0 332.488 3.272 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1F ZINC000650717869 461910186 /nfs/dbraw/zinc/91/01/86/461910186.db2.gz PLGRBBHPUQCJFD-ZDUSSCGKSA-N 2 0 334.410 3.401 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650721985 461912375 /nfs/dbraw/zinc/91/23/75/461912375.db2.gz HYKNLEZOXMTYOE-MISYRCLQSA-N 2 0 332.488 3.335 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000650723946 461916673 /nfs/dbraw/zinc/91/66/73/461916673.db2.gz WDDFGUIFBYPSHS-VAMGGRTRSA-N 2 0 325.456 3.096 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975213 461916725 /nfs/dbraw/zinc/91/67/25/461916725.db2.gz QIXMOMISUZKFOR-ZWKOTPCHSA-N 2 0 343.515 3.460 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975694 461916868 /nfs/dbraw/zinc/91/68/68/461916868.db2.gz DSMCKQAFRHWECB-OAGGEKHMSA-N 2 0 349.906 3.379 20 0 EGADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977571 461918083 /nfs/dbraw/zinc/91/80/83/461918083.db2.gz DQEHVMBWERFADF-ROUUACIJSA-N 2 0 332.488 3.176 20 0 EGADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976311 461918887 /nfs/dbraw/zinc/91/88/87/461918887.db2.gz MZOPVUDDQABHNF-OWCLPIDISA-N 2 0 340.471 3.108 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976565 461919326 /nfs/dbraw/zinc/91/93/26/461919326.db2.gz QDVXFRGERBTJDP-IPMKNSEASA-N 2 0 343.515 3.342 20 0 EGADRP C[C@H](Cc1ccsc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000667057096 461930861 /nfs/dbraw/zinc/93/08/61/461930861.db2.gz VBTGWXINDUSBEV-QGZVFWFLSA-N 2 0 343.540 3.262 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000650753312 461935665 /nfs/dbraw/zinc/93/56/65/461935665.db2.gz LBNRFCLQZJKBCN-OAHLLOKOSA-N 3 0 345.462 3.076 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000653936450 461948378 /nfs/dbraw/zinc/94/83/78/461948378.db2.gz WSEXANRQMBLMQG-UHFFFAOYSA-N 2 0 332.492 3.086 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1ccc(-c3ccccc3F)o1)CCO2 ZINC000648071556 461968716 /nfs/dbraw/zinc/96/87/16/461968716.db2.gz IDRYJBNHAPLHNA-UHFFFAOYSA-N 2 0 344.430 3.382 20 0 EGADRP c1cnc(N2CCCC2)c(CNc2ccnc(N3CCCCC3)n2)c1 ZINC000664190997 461974229 /nfs/dbraw/zinc/97/42/29/461974229.db2.gz BNPISVQDBPCLCI-UHFFFAOYSA-N 2 0 338.459 3.074 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCO[C@H]2C)CC1 ZINC000639577495 462000529 /nfs/dbraw/zinc/00/05/29/462000529.db2.gz JMOXHVZCNCEGSZ-YESZJQIVSA-N 2 0 349.494 3.043 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594241 462009144 /nfs/dbraw/zinc/00/91/44/462009144.db2.gz YEQUWCXSCPLSBL-ROUUACIJSA-N 2 0 326.488 3.233 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000657348300 462062168 /nfs/dbraw/zinc/06/21/68/462062168.db2.gz QXWAATFMLHKYRJ-IEBWSBKVSA-N 2 0 334.504 3.310 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657348117 462063267 /nfs/dbraw/zinc/06/32/67/462063267.db2.gz KXFXMQCJPISSBE-UYAOXDASSA-N 2 0 332.488 3.064 20 0 EGADRP CCCc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c2ccccc2[nH+]1 ZINC000664598338 462119826 /nfs/dbraw/zinc/11/98/26/462119826.db2.gz HEQQRBKHBPIEED-GOSISDBHSA-N 2 0 339.483 3.223 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCC(OC4CCCC4)CC3)C2)CC1 ZINC000648450498 462124613 /nfs/dbraw/zinc/12/46/13/462124613.db2.gz PDCIRCRBAYPLHZ-IDYZSHNDSA-N 2 0 349.563 3.015 20 0 EGADRP CN(Cc1ccnn1CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620923 462177851 /nfs/dbraw/zinc/17/78/51/462177851.db2.gz UPAYTSOJCJRWPM-FQEVSTJZSA-N 2 0 338.499 3.247 20 0 EGADRP c1ccc(N2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000657813481 462280049 /nfs/dbraw/zinc/28/00/49/462280049.db2.gz PIZIROSEGUYQPO-UHFFFAOYSA-N 2 0 327.516 3.367 20 0 EGADRP COc1cc(OC)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000651646230 462288064 /nfs/dbraw/zinc/28/80/64/462288064.db2.gz VGSIYRZGAHCSTD-UHFFFAOYSA-N 2 0 338.467 3.397 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657837897 462290971 /nfs/dbraw/zinc/29/09/71/462290971.db2.gz XDOSXUIVFUJOFR-MOPGFXCFSA-N 2 0 343.559 3.112 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657837899 462291159 /nfs/dbraw/zinc/29/11/59/462291159.db2.gz XDOSXUIVFUJOFR-RBUKOAKNSA-N 2 0 343.559 3.112 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000657906972 462313108 /nfs/dbraw/zinc/31/31/08/462313108.db2.gz CXZRWKZEMPTWCW-SFHVURJKSA-N 2 0 338.923 3.486 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C2CC2)c1 ZINC000645409057 462316186 /nfs/dbraw/zinc/31/61/86/462316186.db2.gz RVRBHLWXZQSZDZ-OXQOHEQNSA-N 2 0 327.516 3.383 20 0 EGADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000661642295 462344837 /nfs/dbraw/zinc/34/48/37/462344837.db2.gz DHHNAFYWJQIETF-OAQYLSRUSA-N 2 0 329.532 3.111 20 0 EGADRP c1ccc([C@@H]2C[C@H](NCc3cccnc3N3CCCC3)CC[NH2+]2)cc1 ZINC000665236110 462363116 /nfs/dbraw/zinc/36/31/16/462363116.db2.gz HMSRBBNLVRJYPH-UXHICEINSA-N 2 0 336.483 3.265 20 0 EGADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069332 462366235 /nfs/dbraw/zinc/36/62/35/462366235.db2.gz NDAKMCOPPHFAJE-FQEVSTJZSA-N 2 0 344.499 3.163 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@H](C)C1 ZINC000658106687 462387894 /nfs/dbraw/zinc/38/78/94/462387894.db2.gz AUEVSLRDAJZNHD-MSOLQXFVSA-N 2 0 342.568 3.290 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc2ccncc2s1 ZINC000658108813 462388979 /nfs/dbraw/zinc/38/89/79/462388979.db2.gz SQYABCVGQLZYSK-LSDHHAIUSA-N 2 0 334.533 3.219 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1(CO)CC1 ZINC000658157334 462410242 /nfs/dbraw/zinc/41/02/42/462410242.db2.gz YPKRJVGHTGEGCE-FRYIKTPZSA-N 2 0 328.500 3.038 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000654947230 462428202 /nfs/dbraw/zinc/42/82/02/462428202.db2.gz RPJCQKLTQGFINR-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP Cn1c2ccccc2nc1CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532264 462431977 /nfs/dbraw/zinc/43/19/77/462431977.db2.gz CHXNEOBIUZYSFQ-UHFFFAOYSA-N 2 0 328.504 3.314 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649288218 462468287 /nfs/dbraw/zinc/46/82/87/462468287.db2.gz DBTQKWNKHSTVSA-MRXNPFEDSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649294978 462469542 /nfs/dbraw/zinc/46/95/42/462469542.db2.gz ZYVXHIOEPBZEEQ-YOEHRIQHSA-N 2 0 337.895 3.111 20 0 EGADRP c1ccc(C[N@H+]2CCN(C[C@@H]3CC[NH2+]C3)CC23CCCCC3)cc1 ZINC000649414162 462503188 /nfs/dbraw/zinc/50/31/88/462503188.db2.gz JXSJJFYSSCAGEK-HXUWFJFHSA-N 2 0 327.516 3.117 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000646105863 462519020 /nfs/dbraw/zinc/51/90/20/462519020.db2.gz KCRJWMXKRMEHRG-OXJNMPFZSA-N 2 0 337.467 3.053 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3Cc4cccc(O)c4C3)CC2)C1 ZINC000433032165 518179328 /nfs/dbraw/zinc/17/93/28/518179328.db2.gz LHJRXJSCNXTWRJ-MNEFBYGVSA-N 2 0 328.500 3.492 20 0 EGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000178033618 527084568 /nfs/dbraw/zinc/08/45/68/527084568.db2.gz CALSXNQYYLMLKY-BBWFWOEESA-N 2 0 347.503 3.185 20 0 EGADRP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)[C@H](C)C1 ZINC000132091065 527891733 /nfs/dbraw/zinc/89/17/33/527891733.db2.gz USNPXXGFSSFRAD-UTKZUKDTSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000132543112 528466361 /nfs/dbraw/zinc/46/63/61/528466361.db2.gz XKPOEVJDOCHMBE-RBUKOAKNSA-N 2 0 335.923 3.189 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132305675 528607060 /nfs/dbraw/zinc/60/70/60/528607060.db2.gz OHTVPQSLXQKBQG-PXNSSMCTSA-N 2 0 333.520 3.008 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cc(F)ccc1F ZINC000154472627 529161030 /nfs/dbraw/zinc/16/10/30/529161030.db2.gz VEEGQACMKRTZCZ-LJQANCHMSA-N 2 0 339.474 3.423 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)CCCCCC[NH3+])c2)CC1 ZINC000236713746 535281461 /nfs/dbraw/zinc/28/14/61/535281461.db2.gz AYVLZMAMJQPXKC-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812887 535682425 /nfs/dbraw/zinc/68/24/25/535682425.db2.gz DOEJDRBKHJMPTQ-RXVVDRJESA-N 2 0 346.515 3.454 20 0 EGADRP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCO1 ZINC000092407846 546674436 /nfs/dbraw/zinc/67/44/36/546674436.db2.gz YBXFRTFEDIOACA-FQEVSTJZSA-N 2 0 332.488 3.162 20 0 EGADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCOC1 ZINC000119816305 546709124 /nfs/dbraw/zinc/70/91/24/546709124.db2.gz OTDHBWILYLSKHJ-IBGZPJMESA-N 2 0 332.488 3.020 20 0 EGADRP CCc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123184361 546738528 /nfs/dbraw/zinc/73/85/28/546738528.db2.gz JADUTABTTLJKMI-UHFFFAOYSA-N 2 0 331.504 3.241 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000133962495 546824219 /nfs/dbraw/zinc/82/42/19/546824219.db2.gz BFCHOUANLMBMIP-INIZCTEOSA-N 2 0 334.504 3.346 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1F ZINC000153733369 546883399 /nfs/dbraw/zinc/88/33/99/546883399.db2.gz UEFXRFSEDNCZKT-AWEZNQCLSA-N 2 0 330.451 3.140 20 0 EGADRP C[C@@H]([NH2+]CCc1cc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000155380705 546901878 /nfs/dbraw/zinc/90/18/78/546901878.db2.gz OQGICTHGVHJZNN-GFCCVEGCSA-N 2 0 343.284 3.451 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000156678419 546913508 /nfs/dbraw/zinc/91/35/08/546913508.db2.gz FPZSFQRKTRWBNW-UWJYYQICSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000158015311 546924772 /nfs/dbraw/zinc/92/47/72/546924772.db2.gz CDBMZGSCRNABNK-LSDHHAIUSA-N 2 0 337.458 3.111 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161591351 546958478 /nfs/dbraw/zinc/95/84/78/546958478.db2.gz MEKNELUPJKKUQB-GDIGMMSISA-N 2 0 342.487 3.248 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000165397738 546986460 /nfs/dbraw/zinc/98/64/60/546986460.db2.gz BEYACANFCTVCFN-INIZCTEOSA-N 2 0 333.495 3.110 20 0 EGADRP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000167254185 546991047 /nfs/dbraw/zinc/99/10/47/546991047.db2.gz NBDPTIQHSSGNED-QGZVFWFLSA-N 2 0 334.504 3.230 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000322612885 547470386 /nfs/dbraw/zinc/47/03/86/547470386.db2.gz PETXZKVTNZMZAW-OAHLLOKOSA-N 2 0 335.561 3.304 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000339068717 547569253 /nfs/dbraw/zinc/56/92/53/547569253.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 2 0 327.516 3.256 20 0 EGADRP CN(C)C(=O)CCN1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352852857 547688953 /nfs/dbraw/zinc/68/89/53/547688953.db2.gz KYZWILJZOYCGSB-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000374206817 547805037 /nfs/dbraw/zinc/80/50/37/547805037.db2.gz VEGHEUABAOCTIB-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000386188100 547823726 /nfs/dbraw/zinc/82/37/26/547823726.db2.gz VPZOGVQOMFDYRP-CYBMUJFWSA-N 2 0 327.875 3.156 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccsc2S1 ZINC000388496601 547825589 /nfs/dbraw/zinc/82/55/89/547825589.db2.gz SBUYZMRWGAABDK-ZFWWWQNUSA-N 2 0 339.574 3.289 20 0 EGADRP COc1ccc(OCc2nc(CN[C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414924033 547861754 /nfs/dbraw/zinc/86/17/54/547861754.db2.gz JIEUCTYBMJXWLL-KBPBESRZSA-N 2 0 347.484 3.090 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000414929189 547861928 /nfs/dbraw/zinc/86/19/28/547861928.db2.gz RDWLHQMXXVDSSY-CHWSQXEVSA-N 2 0 334.261 3.357 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000414936012 547861936 /nfs/dbraw/zinc/86/19/36/547861936.db2.gz YYWXVIYYJPAAOT-ZACQAIPSSA-N 2 0 338.879 3.257 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(c3ccccn3)CCC2)cc1 ZINC000671728650 548345264 /nfs/dbraw/zinc/34/52/64/548345264.db2.gz FCCKEWNFPOJJKC-UHFFFAOYSA-N 2 0 339.483 3.234 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCOC[C@@H]2CCOC2)CC1 ZINC000671746830 548351559 /nfs/dbraw/zinc/35/15/59/548351559.db2.gz NLZACVUGURZHMB-QNGMFEMESA-N 2 0 346.515 3.072 20 0 EGADRP CO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1(C)C ZINC000674677558 548781180 /nfs/dbraw/zinc/78/11/80/548781180.db2.gz LRNPLPAZLKETEA-OALUTQOASA-N 2 0 332.488 3.064 20 0 EGADRP Cc1csc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000675744259 548973035 /nfs/dbraw/zinc/97/30/35/548973035.db2.gz LTBLKOQBQOTZCA-OAHLLOKOSA-N 2 0 333.501 3.285 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000675747665 548973889 /nfs/dbraw/zinc/97/38/89/548973889.db2.gz DMXXCCKPKUVCKV-UHFFFAOYSA-N 2 0 340.515 3.496 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CC)[C@@H](C)C2)cc1)C(C)C ZINC000677183040 549224710 /nfs/dbraw/zinc/22/47/10/549224710.db2.gz OKNDBQQISUSKKA-KRWDZBQOSA-N 2 0 331.504 3.083 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1F ZINC000677237866 549235368 /nfs/dbraw/zinc/23/53/68/549235368.db2.gz OLCPYZFOCMDGFD-OAGGEKHMSA-N 2 0 335.442 3.008 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000677240103 549235452 /nfs/dbraw/zinc/23/54/52/549235452.db2.gz SYULIDBEBVXSKH-XRYRHKQGSA-N 2 0 341.543 3.359 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000677738148 549324181 /nfs/dbraw/zinc/32/41/81/549324181.db2.gz JOQLVFYDKGEKQV-FQEVSTJZSA-N 2 0 343.559 3.498 20 0 EGADRP C[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000677944450 549363189 /nfs/dbraw/zinc/36/31/89/549363189.db2.gz HYQGFBOYMWYTQD-IXDOHACOSA-N 2 0 347.503 3.217 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000678142986 549408930 /nfs/dbraw/zinc/40/89/30/549408930.db2.gz RDRIREFLVVBHTH-FQEVSTJZSA-N 2 0 325.456 3.359 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000678224117 549429770 /nfs/dbraw/zinc/42/97/70/549429770.db2.gz LBBJDSAQIVZDHA-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)(C)C[N@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678241401 549440066 /nfs/dbraw/zinc/44/00/66/549440066.db2.gz FZFRVDALLFLJCC-UHFFFAOYSA-N 2 0 334.504 3.002 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000678269497 549452054 /nfs/dbraw/zinc/45/20/54/549452054.db2.gz YJYFQJSHPBKTII-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000678276381 549455562 /nfs/dbraw/zinc/45/55/62/549455562.db2.gz HHDBCQWQOVITLX-OALUTQOASA-N 2 0 334.504 3.262 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000678774040 549559284 /nfs/dbraw/zinc/55/92/84/549559284.db2.gz DJLQRHMKCMVUME-OAHLLOKOSA-N 2 0 328.460 3.304 20 0 EGADRP CC(C)C([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000678900479 549592216 /nfs/dbraw/zinc/59/22/16/549592216.db2.gz OTSYWGXXHPWJGK-UHFFFAOYSA-N 2 0 345.531 3.169 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679100002 549634707 /nfs/dbraw/zinc/63/47/07/549634707.db2.gz YDDZIPZNQHKCMT-SJLPKXTDSA-N 2 0 333.545 3.438 20 0 EGADRP Cc1ccc([C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000680460240 549867801 /nfs/dbraw/zinc/86/78/01/549867801.db2.gz NDYBJRLZFRDVRH-LJQANCHMSA-N 2 0 333.520 3.435 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000681265300 549974630 /nfs/dbraw/zinc/97/46/30/549974630.db2.gz AOUKPDHQQWIHSM-HNNXBMFYSA-N 2 0 335.492 3.122 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000682375148 550091356 /nfs/dbraw/zinc/09/13/56/550091356.db2.gz OZAGMWFHZFJDSS-IBGZPJMESA-N 2 0 344.430 3.380 20 0 EGADRP CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683725404 550254858 /nfs/dbraw/zinc/25/48/58/550254858.db2.gz BSJJWSOYMJTTII-FQEVSTJZSA-N 2 0 334.504 3.408 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc3cnccc3c2)C[C@H](C)O1 ZINC000683766999 550259495 /nfs/dbraw/zinc/25/94/95/550259495.db2.gz CUBXNONPTZRKIK-CALCHBBNSA-N 2 0 327.472 3.214 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(F)c(Cl)c1Cl ZINC000685457172 550419166 /nfs/dbraw/zinc/41/91/66/550419166.db2.gz YSGVKTTWSZJKLI-UHFFFAOYSA-N 2 0 336.282 3.058 20 0 EGADRP CCCCC[C@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000728571789 574759048 /nfs/dbraw/zinc/75/90/48/574759048.db2.gz KQBNRGSGXCGMAN-KRWDZBQOSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000732275758 575252825 /nfs/dbraw/zinc/25/28/25/575252825.db2.gz AWZDINDHPKKHMX-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000305892778 1297065991 /nfs/dbraw/zinc/06/59/91/1297065991.db2.gz OMHMJSJJPJABRI-CVEARBPZSA-N 2 0 339.524 3.238 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C[C@H](C(C)C)CC2=O)CC1 ZINC000782292251 1304949239 /nfs/dbraw/zinc/94/92/39/1304949239.db2.gz MIYZIBHBNNCVKH-LJQANCHMSA-N 2 0 337.552 3.282 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000048779494 1291618515 /nfs/dbraw/zinc/61/85/15/1291618515.db2.gz BEONDAFEHJVKDH-INIZCTEOSA-N 2 0 342.487 3.297 20 0 EGADRP CC(C)c1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000066876793 1292132163 /nfs/dbraw/zinc/13/21/63/1292132163.db2.gz LFSABZKQDVAHBZ-UHFFFAOYSA-N 2 0 338.499 3.247 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000069171005 1292234319 /nfs/dbraw/zinc/23/43/19/1292234319.db2.gz RKZGQRWIMNFKIM-QFIPXVFZSA-N 2 0 337.511 3.382 20 0 EGADRP CC(C)Oc1ncccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000069707773 1292248704 /nfs/dbraw/zinc/24/87/04/1292248704.db2.gz VJYFWUOHYIQJAV-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CC[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000080401773 1292599727 /nfs/dbraw/zinc/59/97/27/1292599727.db2.gz RIUOAYMIEUETGH-FUHWJXTLSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000081255289 1292649327 /nfs/dbraw/zinc/64/93/27/1292649327.db2.gz SFJLISQPXVOFDE-UHFFFAOYSA-N 2 0 329.488 3.341 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000105451569 1293036527 /nfs/dbraw/zinc/03/65/27/1293036527.db2.gz SASFIQKLHABKQU-UHFFFAOYSA-N 2 0 343.437 3.069 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000105451507 1293036768 /nfs/dbraw/zinc/03/67/68/1293036768.db2.gz IMLAMNXPWRULJJ-UHFFFAOYSA-N 2 0 325.500 3.203 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(SC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000105466458 1293039962 /nfs/dbraw/zinc/03/99/62/1293039962.db2.gz UIQKKAGJAFSNRS-ZDUSSCGKSA-N 2 0 347.450 3.024 20 0 EGADRP CC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC[NH2+]C1 ZINC000119579124 1293278150 /nfs/dbraw/zinc/27/81/50/1293278150.db2.gz SUQPTNBUJLDKFN-VQIMIIECSA-N 2 0 349.544 3.027 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000121238392 1293361445 /nfs/dbraw/zinc/36/14/45/1293361445.db2.gz OFDIINKCUJYILJ-QZTJIDSGSA-N 2 0 333.520 3.010 20 0 EGADRP CC(C)[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000121721261 1293385692 /nfs/dbraw/zinc/38/56/92/1293385692.db2.gz GUPMMMLGIVFXLJ-QFIPXVFZSA-N 2 0 343.559 3.404 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000130597026 1293661846 /nfs/dbraw/zinc/66/18/46/1293661846.db2.gz IXOSAMDLHBJGQU-HNNXBMFYSA-N 2 0 346.906 3.004 20 0 EGADRP CCOC(=O)N1CCC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000151974156 1293947572 /nfs/dbraw/zinc/94/75/72/1293947572.db2.gz GLHXXSNMALOTPX-UHFFFAOYSA-N 2 0 347.503 3.237 20 0 EGADRP Cc1nccn1-c1ccc(CNCc2ncccc2C(F)(F)F)cn1 ZINC000152213130 1293959027 /nfs/dbraw/zinc/95/90/27/1293959027.db2.gz VFTNXUPHSXKRIB-UHFFFAOYSA-N 2 0 347.344 3.279 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152908978 1293989932 /nfs/dbraw/zinc/98/99/32/1293989932.db2.gz OTCPVKAKKMMORB-YLJYHZDGSA-N 2 0 345.531 3.078 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152909182 1293990784 /nfs/dbraw/zinc/99/07/84/1293990784.db2.gz OTCPVKAKKMMORB-FXAWDEMLSA-N 2 0 345.531 3.078 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000153799908 1294029816 /nfs/dbraw/zinc/02/98/16/1294029816.db2.gz FNYGZXXUNLLQHL-UZLBHIALSA-N 2 0 328.456 3.011 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000153904246 1294033153 /nfs/dbraw/zinc/03/31/53/1294033153.db2.gz NJGKEQFMAQYSLV-NJDAHSKKSA-N 2 0 344.499 3.208 20 0 EGADRP Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)n2c1 ZINC000156472993 1294145490 /nfs/dbraw/zinc/14/54/90/1294145490.db2.gz SCNPMYWGKAQHOD-HXUWFJFHSA-N 2 0 348.494 3.297 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc2cnccn12 ZINC000156614109 1294151079 /nfs/dbraw/zinc/15/10/79/1294151079.db2.gz FFCMRBMZEZWHMB-QGZVFWFLSA-N 2 0 349.482 3.394 20 0 EGADRP CCCCCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159333697 1294233385 /nfs/dbraw/zinc/23/33/85/1294233385.db2.gz JJWWTOADAWXQGY-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000161313185 1294289071 /nfs/dbraw/zinc/28/90/71/1294289071.db2.gz ZIIYDMCMQLFSCS-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000161975222 1294304013 /nfs/dbraw/zinc/30/40/13/1294304013.db2.gz SEZQDVYFPLODOD-UHFFFAOYSA-N 2 0 328.504 3.286 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(C)COC2)cc1C[NH+]1CCCCC1 ZINC000182960519 1295089584 /nfs/dbraw/zinc/08/95/84/1295089584.db2.gz GCTQLDRVZLAHMS-INIZCTEOSA-N 2 0 332.488 3.368 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cnn(C)c2C)ccc1OC ZINC000183398764 1295117256 /nfs/dbraw/zinc/11/72/56/1295117256.db2.gz XGEDOIMHFXCRQD-HNNXBMFYSA-N 2 0 344.503 3.430 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c2cccs2)CC1 ZINC000870854203 1296114062 /nfs/dbraw/zinc/11/40/62/1296114062.db2.gz ONSUBSFTSXXXSF-IXDOHACOSA-N 2 0 349.544 3.155 20 0 EGADRP CC(C)C[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000870885847 1296130631 /nfs/dbraw/zinc/13/06/31/1296130631.db2.gz UJOQLSPUIXPWMT-AFYVEPGGSA-N 2 0 345.531 3.386 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000870891720 1296131355 /nfs/dbraw/zinc/13/13/55/1296131355.db2.gz JGSVONFGWIUOHM-AFYVEPGGSA-N 2 0 343.515 3.015 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC000870911800 1296137927 /nfs/dbraw/zinc/13/79/27/1296137927.db2.gz OCIXOCAQMKVBNB-WGSAOQKQSA-N 2 0 343.515 3.417 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000870949511 1296148821 /nfs/dbraw/zinc/14/88/21/1296148821.db2.gz HNNVRHDLMOFVKO-GNVJSZRZSA-N 2 0 343.515 3.014 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)CC1 ZINC000236712313 1296199302 /nfs/dbraw/zinc/19/93/02/1296199302.db2.gz WJNBUJNIHSWVOF-UHFFFAOYSA-N 2 0 331.504 3.054 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247670416 1296399157 /nfs/dbraw/zinc/39/91/57/1296399157.db2.gz ZILXDBMYRRTDGV-IRXDYDNUSA-N 2 0 339.524 3.240 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000248627400 1296422719 /nfs/dbraw/zinc/42/27/19/1296422719.db2.gz GFGGQNBVKBCMNP-BRWVUGGUSA-N 2 0 339.524 3.286 20 0 EGADRP c1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538137 1296594323 /nfs/dbraw/zinc/59/43/23/1296594323.db2.gz FLMVYEGTOHRYBY-QHAWAJNXSA-N 2 0 327.516 3.161 20 0 EGADRP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261957053 1296609697 /nfs/dbraw/zinc/60/96/97/1296609697.db2.gz GTXBOPPGHKCEQX-UHFFFAOYSA-N 2 0 329.532 3.220 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262142907 1296619347 /nfs/dbraw/zinc/61/93/47/1296619347.db2.gz ZIHSQWSRKMGVFJ-UHFFFAOYSA-N 2 0 339.277 3.033 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1ccsc1 ZINC000262952273 1296652927 /nfs/dbraw/zinc/65/29/27/1296652927.db2.gz JVMWCMVOZURLTJ-JFIYKMOQSA-N 2 0 337.533 3.155 20 0 EGADRP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156390 1296778049 /nfs/dbraw/zinc/77/80/49/1296778049.db2.gz IVTOOUAKGARGHV-XLIONFOSSA-N 2 0 343.515 3.166 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000302117857 1296799649 /nfs/dbraw/zinc/79/96/49/1296799649.db2.gz SLFLKUXXVFPRGB-GJYPPUQNSA-N 2 0 339.524 3.144 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[C@@H]1c1cccs1 ZINC000872285660 1296894849 /nfs/dbraw/zinc/89/48/49/1296894849.db2.gz BQAVOSICZPDFAD-XLMAVXFVSA-N 2 0 349.544 3.155 20 0 EGADRP CSc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000305162943 1296989817 /nfs/dbraw/zinc/98/98/17/1296989817.db2.gz RTJKJTZIEHADLG-OALUTQOASA-N 2 0 334.529 3.266 20 0 EGADRP C[N@H+](CCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)Cc1ccccc1 ZINC000309840225 1297078808 /nfs/dbraw/zinc/07/88/08/1297078808.db2.gz WLRFAWMKBYASCA-IBGZPJMESA-N 2 0 334.410 3.110 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310944443 1297104500 /nfs/dbraw/zinc/10/45/00/1297104500.db2.gz XDKWGGNIZBRWQG-WIYYLYMNSA-N 2 0 342.458 3.361 20 0 EGADRP O[C@H](c1ccccc1)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201975 1297347245 /nfs/dbraw/zinc/34/72/45/1297347245.db2.gz IECKRXIBNLBOPC-HXUWFJFHSA-N 2 0 342.508 3.339 20 0 EGADRP COCC[N@H+](CCc1ccccc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203260 1297347299 /nfs/dbraw/zinc/34/72/99/1297347299.db2.gz VTGAYWCRMIXMQR-UHFFFAOYSA-N 2 0 330.497 3.085 20 0 EGADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)C1CCCC1 ZINC000873231781 1297372824 /nfs/dbraw/zinc/37/28/24/1297372824.db2.gz DFIGUUBBNRUOJM-APWZRJJASA-N 2 0 326.488 3.454 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000873250222 1297390865 /nfs/dbraw/zinc/39/08/65/1297390865.db2.gz OSZSBTHZNZJQPD-MURWCNHISA-N 2 0 327.241 3.366 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000873252999 1297391237 /nfs/dbraw/zinc/39/12/37/1297391237.db2.gz XGGSCRBENXRIQD-IPURGOFSSA-N 2 0 329.669 3.417 20 0 EGADRP Cn1ccc([C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(Cl)cc2)n1 ZINC000873265662 1297397827 /nfs/dbraw/zinc/39/78/27/1297397827.db2.gz WQPDDGRZBVGSQC-CZANMRCUSA-N 2 0 344.890 3.283 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873291429 1297412667 /nfs/dbraw/zinc/41/26/67/1297412667.db2.gz GQZMVEHJHNZUDI-MJGOQNOKSA-N 2 0 348.918 3.409 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1c1ccccc1 ZINC000873293602 1297415382 /nfs/dbraw/zinc/41/53/82/1297415382.db2.gz NMEOMXPJRMNPOH-IPMKNSEASA-N 2 0 328.500 3.317 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c1 ZINC000873293296 1297415512 /nfs/dbraw/zinc/41/55/12/1297415512.db2.gz YVZTWIPRBPCCAW-PMACEKPBSA-N 2 0 328.500 3.064 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389881247 1297618212 /nfs/dbraw/zinc/61/82/12/1297618212.db2.gz ZIXNVQKSGFGXRA-WIYYLYMNSA-N 2 0 329.532 3.217 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000392071849 1297650330 /nfs/dbraw/zinc/65/03/30/1297650330.db2.gz WCXGMOQUFIOHTL-HQRMLTQVSA-N 2 0 332.488 3.235 20 0 EGADRP CN(Cc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)OC(C)(C)C ZINC000405277825 1297763884 /nfs/dbraw/zinc/76/38/84/1297763884.db2.gz AALSRGMGDUKEOB-SJORKVTESA-N 2 0 347.503 3.269 20 0 EGADRP CC(C)c1nccn1CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000874244660 1297827174 /nfs/dbraw/zinc/82/71/74/1297827174.db2.gz OQVOJJGLGNISES-UHFFFAOYSA-N 2 0 346.519 3.167 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000693861132 1298153443 /nfs/dbraw/zinc/15/34/43/1298153443.db2.gz HSOQHVSNTCHSFL-BBWFWOEESA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000713067669 1298267918 /nfs/dbraw/zinc/26/79/18/1298267918.db2.gz LUEUUMIUEKDHRV-RTBURBONSA-N 2 0 345.531 3.167 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724028781 1298344756 /nfs/dbraw/zinc/34/47/56/1298344756.db2.gz NWGOFLAJTGXZKN-HOTGVXAUSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724031143 1298345014 /nfs/dbraw/zinc/34/50/14/1298345014.db2.gz WVUIJMZKRCPCKZ-DLBZAZTESA-N 2 0 339.524 3.001 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876775159 1298976722 /nfs/dbraw/zinc/97/67/22/1298976722.db2.gz PMRONLMSOTTYTF-INIZCTEOSA-N 2 0 341.540 3.201 20 0 EGADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)cc21 ZINC000877138566 1299177387 /nfs/dbraw/zinc/17/73/87/1299177387.db2.gz MYAVNFPABFPDAW-FFZOFVMBSA-N 2 0 335.451 3.132 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877450290 1299309458 /nfs/dbraw/zinc/30/94/58/1299309458.db2.gz FPIAUOPGDMHMES-DBVUQKKJSA-N 2 0 343.515 3.141 20 0 EGADRP COc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Cl)cc1O ZINC000877495831 1299347368 /nfs/dbraw/zinc/34/73/68/1299347368.db2.gz HMJXBMHPFCUOQQ-UHFFFAOYSA-N 2 0 338.879 3.362 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000877508471 1299358439 /nfs/dbraw/zinc/35/84/39/1299358439.db2.gz ZBSVQLQDCVOEJL-CQSZACIVSA-N 2 0 343.298 3.443 20 0 EGADRP ClC1(Cl)C[C@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000877624757 1299440032 /nfs/dbraw/zinc/44/00/32/1299440032.db2.gz DUWYUZXSJWQTOT-HNNXBMFYSA-N 2 0 328.287 3.077 20 0 EGADRP CC(C)[C@@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000877745843 1299523232 /nfs/dbraw/zinc/52/32/32/1299523232.db2.gz AQUFURALHPBWAQ-OAQYLSRUSA-N 2 0 329.532 3.138 20 0 EGADRP Cc1ccc2c(ccc(C)c2C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000878993529 1300306885 /nfs/dbraw/zinc/30/68/85/1300306885.db2.gz LDHNBEPYLJVRMI-FQEVSTJZSA-N 2 0 338.495 3.488 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247779 1300452676 /nfs/dbraw/zinc/45/26/76/1300452676.db2.gz FVCIXHHPTSZWQE-QGZVFWFLSA-N 2 0 343.515 3.384 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CCCO1 ZINC000762481474 1301688660 /nfs/dbraw/zinc/68/86/60/1301688660.db2.gz FMFWDIRCKKOORU-QGZVFWFLSA-N 2 0 346.515 3.381 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCCC1 ZINC000765257206 1302231372 /nfs/dbraw/zinc/23/13/72/1302231372.db2.gz XWIGEISEIQBETQ-MSOLQXFVSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000883383510 1302424172 /nfs/dbraw/zinc/42/41/72/1302424172.db2.gz AEINXPZJNUWUJA-VQIMIIECSA-N 2 0 344.499 3.379 20 0 EGADRP C[C@@H]([NH2+]CCNc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000766514980 1302466411 /nfs/dbraw/zinc/46/64/11/1302466411.db2.gz KGNLCOYCWDLVAN-QGZVFWFLSA-N 2 0 327.472 3.390 20 0 EGADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000767500393 1302694331 /nfs/dbraw/zinc/69/43/31/1302694331.db2.gz HVXOEFJFSGIHSH-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000769681252 1303155882 /nfs/dbraw/zinc/15/58/82/1303155882.db2.gz NZHMCNHXYOTTNS-CVEARBPZSA-N 2 0 327.513 3.144 20 0 EGADRP C1CC[NH+](C2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)CC1 ZINC000886012183 1303317887 /nfs/dbraw/zinc/31/78/87/1303317887.db2.gz BITYYWWSHOHPFV-XBMUEBEBSA-N 2 0 336.520 3.101 20 0 EGADRP C[NH+](C[C@@H]1CCCCO1)[C@H]1CC[C@H]([N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000886392112 1303455093 /nfs/dbraw/zinc/45/50/93/1303455093.db2.gz VNOAILSQXOCUMV-MUGJNUQGSA-N 2 0 338.536 3.299 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000886540242 1303492634 /nfs/dbraw/zinc/49/26/34/1303492634.db2.gz BLAPOCWRKLUWGH-YZDRJCRTSA-N 2 0 349.563 3.017 20 0 EGADRP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886632964 1303533496 /nfs/dbraw/zinc/53/34/96/1303533496.db2.gz KMZZYWQMHPINED-JGCRXCKMSA-N 2 0 343.515 3.149 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000773034306 1303612302 /nfs/dbraw/zinc/61/23/02/1303612302.db2.gz AOZXHHNOOPEZNY-JKDFXYPNSA-N 2 0 328.859 3.221 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)c2ccc(F)cc2F)CC1 ZINC000886897984 1303624648 /nfs/dbraw/zinc/62/46/48/1303624648.db2.gz NVBYVBFHKXHUMB-UHFFFAOYSA-N 2 0 339.474 3.206 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775414992 1303960615 /nfs/dbraw/zinc/96/06/15/1303960615.db2.gz POCNMCVMJZHYLF-QBPKDAKJSA-N 2 0 328.591 3.324 20 0 EGADRP C[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777299072 1304280656 /nfs/dbraw/zinc/28/06/56/1304280656.db2.gz AFPQPTBHIUCEPY-FUHWJXTLSA-N 2 0 330.520 3.112 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000781423890 1304826727 /nfs/dbraw/zinc/82/67/27/1304826727.db2.gz UGZASGWFALXKFC-ZHHKINOHSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccnc(Cl)c1 ZINC000781922401 1304892011 /nfs/dbraw/zinc/89/20/11/1304892011.db2.gz HIIWHDQAZXSFMI-RDTXWAMCSA-N 2 0 345.874 3.152 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000783515828 1305101755 /nfs/dbraw/zinc/10/17/55/1305101755.db2.gz CCDPNVUNAYBXGV-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC1CC[NH+](C)CC1 ZINC000891730238 1305148817 /nfs/dbraw/zinc/14/88/17/1305148817.db2.gz VIZKBYJEANHRDQ-UHFFFAOYSA-N 2 0 344.478 3.422 20 0 EGADRP CCCSC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000892397375 1305350140 /nfs/dbraw/zinc/35/01/40/1305350140.db2.gz NBBDKDYMEIXLQV-MRXNPFEDSA-N 2 0 336.545 3.265 20 0 EGADRP COc1ccc([C@H](C[NH2+]CC2CC[NH+](C)CC2)N2CCCCC2)cc1 ZINC000892439790 1305373919 /nfs/dbraw/zinc/37/39/19/1305373919.db2.gz ZPPFHASOZRMRFB-NRFANRHFSA-N 2 0 345.531 3.154 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000892527208 1305424254 /nfs/dbraw/zinc/42/42/54/1305424254.db2.gz MIRWVLNXQRBUQC-UHFFFAOYSA-N 2 0 330.394 3.197 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000892580137 1305451440 /nfs/dbraw/zinc/45/14/40/1305451440.db2.gz HBPAVGTWGNXNDD-ROUUACIJSA-N 2 0 334.504 3.060 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000893305290 1305815974 /nfs/dbraw/zinc/81/59/74/1305815974.db2.gz UJWHMPHVPUQOEV-UHFFFAOYSA-N 2 0 329.669 3.454 20 0 EGADRP CCCSC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000893487859 1305920997 /nfs/dbraw/zinc/92/09/97/1305920997.db2.gz QCOPRRDMKAVNCF-LPHOPBHVSA-N 2 0 336.545 3.265 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000788479634 1305952649 /nfs/dbraw/zinc/95/26/49/1305952649.db2.gz XVPZMZPWZVDVCD-IRXDYDNUSA-N 2 0 343.298 3.225 20 0 EGADRP CCC[N@H+](CC1CCCCC1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790365318 1306309071 /nfs/dbraw/zinc/30/90/71/1306309071.db2.gz BWDYYUSKPAECAW-FQEVSTJZSA-N 2 0 349.519 3.153 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000894742848 1309046318 /nfs/dbraw/zinc/04/63/18/1309046318.db2.gz JYQXTBFSSZZXRD-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793192799 1309315299 /nfs/dbraw/zinc/31/52/99/1309315299.db2.gz TURWDHVGLYIOJJ-FUHWJXTLSA-N 2 0 349.434 3.402 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000793519686 1309391369 /nfs/dbraw/zinc/39/13/69/1309391369.db2.gz CEPOGSKXAQHOED-KRWDZBQOSA-N 2 0 326.488 3.291 20 0 EGADRP CCC1([NH+]2CCC2)CCN(Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000895823691 1309538033 /nfs/dbraw/zinc/53/80/33/1309538033.db2.gz XYSCISLOUDECQI-UHFFFAOYSA-N 2 0 342.487 3.439 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCN2CC=CCC2)ccc1OC ZINC000794835360 1309605179 /nfs/dbraw/zinc/60/51/79/1309605179.db2.gz PRWPWJBELMPBEV-GOSISDBHSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[C@H](C[NH2+]CC1CCC2(CC1)OCCO2)[NH+]1CCCCCC1 ZINC000795893225 1309856069 /nfs/dbraw/zinc/85/60/69/1309856069.db2.gz ARPCBMBZVPKFSQ-IBGZPJMESA-N 2 0 338.536 3.410 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000796994799 1310121214 /nfs/dbraw/zinc/12/12/14/1310121214.db2.gz VOGOWXIUOJPXML-LJQANCHMSA-N 2 0 340.471 3.050 20 0 EGADRP OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccnc2cc(F)c(Cl)cc21 ZINC000897218713 1310226491 /nfs/dbraw/zinc/22/64/91/1310226491.db2.gz FVSNVAKOMPXENI-QZTJIDSGSA-N 2 0 349.837 3.063 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ncc(Cl)n2C)C[N@@H+]1Cc1ccccc1 ZINC000799340159 1310528738 /nfs/dbraw/zinc/52/87/38/1310528738.db2.gz GUBBUJVXCHUDAV-WBVHZDCISA-N 2 0 346.906 3.464 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000839182179 1320888012 /nfs/dbraw/zinc/88/80/12/1320888012.db2.gz LHZQMHUHSNECLE-SJORKVTESA-N 2 0 341.540 3.105 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)c2)C1 ZINC000857303713 1328527742 /nfs/dbraw/zinc/52/77/42/1328527742.db2.gz YUEPEKKPTFRQQW-RBUKOAKNSA-N 2 0 343.515 3.098 20 0 EGADRP CC1(C)CC(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001018966885 1316987984 /nfs/dbraw/zinc/98/79/84/1316987984.db2.gz WMKRTEJGWHFJEL-HKUYNNGSSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001019259366 1317132453 /nfs/dbraw/zinc/13/24/53/1317132453.db2.gz DTCSMWHKDSWEPV-VKJFTORMSA-N 2 0 349.906 3.076 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019297832 1317152324 /nfs/dbraw/zinc/15/23/24/1317152324.db2.gz NIMWVFZCNYANKZ-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001019386106 1317209205 /nfs/dbraw/zinc/20/92/05/1317209205.db2.gz CKTMUHNQDVESFM-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001019394888 1317213554 /nfs/dbraw/zinc/21/35/54/1317213554.db2.gz PNXJLGODPWQRLT-UXPWSPDFSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC001019397377 1317216186 /nfs/dbraw/zinc/21/61/86/1317216186.db2.gz XCPBZNWTWUQRMC-OALUTQOASA-N 2 0 345.531 3.015 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000957279647 1317257398 /nfs/dbraw/zinc/25/73/98/1317257398.db2.gz ZFXCXKZBLXKRTH-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019468231 1317263152 /nfs/dbraw/zinc/26/31/52/1317263152.db2.gz LSCKRUDBVYVXRG-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019468536 1317264341 /nfs/dbraw/zinc/26/43/41/1317264341.db2.gz ZCLOAIDUWUZRLS-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001019469670 1317264387 /nfs/dbraw/zinc/26/43/87/1317264387.db2.gz HRRBAQZWWPYATH-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900413749 1317285261 /nfs/dbraw/zinc/28/52/61/1317285261.db2.gz ZSHKDRRGEUIBOE-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C2CC(OCc3ccccc3)C2)C1 ZINC000929762319 1328691095 /nfs/dbraw/zinc/69/10/95/1328691095.db2.gz DWCSGHPOGWEEDU-MWXLCCTBSA-N 2 0 328.500 3.398 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2)[NH+](C)C ZINC000957563768 1317460651 /nfs/dbraw/zinc/46/06/51/1317460651.db2.gz OWIDIUWHQSVUKZ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000902335054 1317565131 /nfs/dbraw/zinc/56/51/31/1317565131.db2.gz ICGZFHXPHKTTQE-DLBZAZTESA-N 2 0 335.561 3.328 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cs1 ZINC001020154900 1317566521 /nfs/dbraw/zinc/56/65/21/1317566521.db2.gz QEPYDKNIKOODBE-QAQDUYKDSA-N 2 0 349.544 3.058 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000902348420 1317566506 /nfs/dbraw/zinc/56/65/06/1317566506.db2.gz LVPQGIZOFACDIE-INIZCTEOSA-N 2 0 330.451 3.188 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000902384685 1317571655 /nfs/dbraw/zinc/57/16/55/1317571655.db2.gz UUBDBAQJGXSPAI-QQFBHYJXSA-N 2 0 347.469 3.160 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000957716046 1317585545 /nfs/dbraw/zinc/58/55/45/1317585545.db2.gz QVEPYOVRRZQYCI-YLJYHZDGSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020238091 1317603944 /nfs/dbraw/zinc/60/39/44/1317603944.db2.gz NOPLOBDTWVLAMB-PWKSQPCKSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020297314 1317633288 /nfs/dbraw/zinc/63/32/88/1317633288.db2.gz HBWJHZAXIJCZJQ-PILAGYSTSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1)[NH+]1CCCC1 ZINC000957782913 1317644110 /nfs/dbraw/zinc/64/41/10/1317644110.db2.gz YPIPXDHLHXEMLK-MHJFOBGBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1Cc2ccccc2N1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903083965 1317649444 /nfs/dbraw/zinc/64/94/44/1317649444.db2.gz RNKUVXUQMFQHPA-XIHRNRATSA-N 2 0 325.500 3.185 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001020336006 1317651664 /nfs/dbraw/zinc/65/16/64/1317651664.db2.gz PPWMZDRQWQSIJH-WBAXXEDZSA-N 2 0 348.450 3.254 20 0 EGADRP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccc(F)cc1 ZINC000903107568 1317654188 /nfs/dbraw/zinc/65/41/88/1317654188.db2.gz XZBWGJQSXIEAOD-CTXDPNEZSA-N 2 0 331.479 3.005 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)c1ccccc1 ZINC001020348891 1317654776 /nfs/dbraw/zinc/65/47/76/1317654776.db2.gz LCISFJNQJMALOP-GUDVDZBRSA-N 2 0 341.499 3.003 20 0 EGADRP C(Cc1nc2c(s1)CCCC2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903121249 1317657732 /nfs/dbraw/zinc/65/77/32/1317657732.db2.gz UBOKIMPYKBGNAG-VHRNVKJDSA-N 2 0 331.529 3.312 20 0 EGADRP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000903172591 1317667912 /nfs/dbraw/zinc/66/79/12/1317667912.db2.gz SDFZWRATCUORNV-FJXZYEQHSA-N 2 0 339.527 3.397 20 0 EGADRP Brc1cncc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000903565686 1317707992 /nfs/dbraw/zinc/70/79/92/1317707992.db2.gz BOOZISWBSIOLMC-BBRMVZONSA-N 2 0 338.293 3.371 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000808719733 1317722510 /nfs/dbraw/zinc/72/25/10/1317722510.db2.gz IDQGYUYPPNPAPV-MRXNPFEDSA-N 2 0 345.462 3.272 20 0 EGADRP Fc1ccc(CC2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903727658 1317726183 /nfs/dbraw/zinc/72/61/83/1317726183.db2.gz WNQUFGMVTAQVHM-HXUWFJFHSA-N 2 0 346.490 3.239 20 0 EGADRP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734498 1317726713 /nfs/dbraw/zinc/72/67/13/1317726713.db2.gz RPCYIOHVDGJXJB-MAUKXSAKSA-N 2 0 336.907 3.362 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)O1 ZINC000903750317 1317729504 /nfs/dbraw/zinc/72/95/04/1317729504.db2.gz XGDBBMMNXVUEBP-FPCVCCKLSA-N 2 0 334.426 3.198 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCc2ccc(Cl)cc21 ZINC000903765403 1317730545 /nfs/dbraw/zinc/73/05/45/1317730545.db2.gz ZMOALBODKUVYBE-BJZITVGISA-N 2 0 334.891 3.070 20 0 EGADRP C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786205 1317734342 /nfs/dbraw/zinc/73/43/42/1317734342.db2.gz GFSMSRLTOXWFEB-RLLQIKCJSA-N 2 0 328.500 3.413 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000903793961 1317735880 /nfs/dbraw/zinc/73/58/80/1317735880.db2.gz KURNCSKBTJJSEX-UHFFFAOYSA-N 2 0 337.467 3.008 20 0 EGADRP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794560 1317737094 /nfs/dbraw/zinc/73/70/94/1317737094.db2.gz ZQWGMQLGSMSZII-CQSZACIVSA-N 2 0 326.444 3.001 20 0 EGADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2ccccc2)cnn1C ZINC000903905465 1317746202 /nfs/dbraw/zinc/74/62/02/1317746202.db2.gz GOQDIBHFXLITSR-PXNSSMCTSA-N 2 0 326.488 3.073 20 0 EGADRP [NH3+][C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)CC(F)F ZINC000903919540 1317748740 /nfs/dbraw/zinc/74/87/40/1317748740.db2.gz DOMXRXFVBRJJNF-CYBMUJFWSA-N 2 0 347.247 3.443 20 0 EGADRP FC(F)(F)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCOCC2 ZINC000903929765 1317750400 /nfs/dbraw/zinc/75/04/00/1317750400.db2.gz LCYXABBWUHSORJ-WTXIUTQJSA-N 2 0 346.437 3.198 20 0 EGADRP CC(C)n1ncc2cc(CNC[C@@H]3CCCC[N@H+](C)C3)c(Cl)nc21 ZINC000858245168 1328721275 /nfs/dbraw/zinc/72/12/75/1328721275.db2.gz OKZFMQJSEXYVPY-AWEZNQCLSA-N 2 0 349.910 3.487 20 0 EGADRP [NH3+]CC1CC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000904359476 1317835230 /nfs/dbraw/zinc/83/52/30/1317835230.db2.gz ONHDKWHXFCAABP-UHFFFAOYSA-N 2 0 342.314 3.285 20 0 EGADRP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405599 1317843931 /nfs/dbraw/zinc/84/39/31/1317843931.db2.gz KJQZMAQWCCTMDP-LLVKDONJSA-N 2 0 329.307 3.342 20 0 EGADRP COc1ccsc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474957 1317852164 /nfs/dbraw/zinc/85/21/64/1317852164.db2.gz MZIDPEDFJQXTPV-KDOFPFPSSA-N 2 0 330.453 3.102 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccccc1C[NH3+] ZINC000904649859 1317876237 /nfs/dbraw/zinc/87/62/37/1317876237.db2.gz XWSPFBSQDGALLS-UHFFFAOYSA-N 2 0 340.471 3.177 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1C[NH3+] ZINC000904663937 1317878638 /nfs/dbraw/zinc/87/86/38/1317878638.db2.gz CKUFYKPLCAUXER-UHFFFAOYSA-N 2 0 340.471 3.307 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001020818311 1317947567 /nfs/dbraw/zinc/94/75/67/1317947567.db2.gz KLQSAPBMQWMIEN-MXVIHJGJSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC(C)C3)C2)o1 ZINC001021120507 1318103063 /nfs/dbraw/zinc/10/30/63/1318103063.db2.gz JFOAJNIPDPKHQM-GWEOLNPGSA-N 2 0 347.503 3.018 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001021434460 1318248288 /nfs/dbraw/zinc/24/82/88/1318248288.db2.gz GQWRUQHUHVTMPZ-NXEWRWPSSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCCC2)C1 ZINC001021460499 1318264834 /nfs/dbraw/zinc/26/48/34/1318264834.db2.gz CCBZLFNPKTYBRD-UMQXSMKFSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021470317 1318269412 /nfs/dbraw/zinc/26/94/12/1318269412.db2.gz ZMDWKQSMWGQLBA-NXEWRWPSSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC000960043775 1318325920 /nfs/dbraw/zinc/32/59/20/1318325920.db2.gz PUFZRVPPPCRXRR-VQTJNVASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1)[NH+](C)C ZINC000960044612 1318327148 /nfs/dbraw/zinc/32/71/48/1318327148.db2.gz UNSORJKPSMGSDP-YZGWKJHDSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1cccc(F)c1)[NH+](C)C ZINC000960044416 1318327923 /nfs/dbraw/zinc/32/79/23/1318327923.db2.gz RMPOOLHIHAIDTJ-AYOQOUSVSA-N 2 0 349.494 3.198 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960061271 1318335475 /nfs/dbraw/zinc/33/54/75/1318335475.db2.gz KCWQIGFQXQJPRH-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000960097840 1318352137 /nfs/dbraw/zinc/35/21/37/1318352137.db2.gz QDYPDOHUGPNREG-GUMHCPJTSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC000908504535 1318357192 /nfs/dbraw/zinc/35/71/92/1318357192.db2.gz DBJIPGVMKBGLJU-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[NH+]1CCCCCC1 ZINC000908502887 1318357218 /nfs/dbraw/zinc/35/72/18/1318357218.db2.gz RDGGKSXLYRFZHR-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccc(CCC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000908723805 1318395731 /nfs/dbraw/zinc/39/57/31/1318395731.db2.gz CTVWCSQVKUHIBV-NRFANRHFSA-N 2 0 330.516 3.096 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)CC[C@H]21)C1CCC1 ZINC001021604084 1318450020 /nfs/dbraw/zinc/45/00/20/1318450020.db2.gz AWUMLHCDIRNACI-PKOBYXMFSA-N 2 0 349.563 3.220 20 0 EGADRP OCc1cc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000858480673 1328774760 /nfs/dbraw/zinc/77/47/60/1328774760.db2.gz ZQVYTSPSAXXDIR-JRGCBEDISA-N 2 0 337.467 3.287 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739752 1318647698 /nfs/dbraw/zinc/64/76/98/1318647698.db2.gz MWCGOTHSCDPRLH-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960630027 1318755688 /nfs/dbraw/zinc/75/56/88/1318755688.db2.gz VCPKRZVJTDUSMK-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000960682484 1318790985 /nfs/dbraw/zinc/79/09/85/1318790985.db2.gz PFAZSZKULYCRKA-ACBHZAAOSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1)[NH+](C)C ZINC000960713222 1318820856 /nfs/dbraw/zinc/82/08/56/1318820856.db2.gz UDAILGNYCVIDKO-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022201974 1318840924 /nfs/dbraw/zinc/84/09/24/1318840924.db2.gz OYPUEEHOIPMAOD-ZCFHBRKKSA-N 2 0 349.563 3.312 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001022201670 1318841260 /nfs/dbraw/zinc/84/12/60/1318841260.db2.gz KXKLGUZBZVOGGS-NSHGMRRFSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022350384 1318902609 /nfs/dbraw/zinc/90/26/09/1318902609.db2.gz LLRYKGMHTXNRPN-HSALFYBXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000815200328 1318927357 /nfs/dbraw/zinc/92/73/57/1318927357.db2.gz IXRMRDOEIWNKQF-RTBURBONSA-N 2 0 338.923 3.344 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960811567 1318928349 /nfs/dbraw/zinc/92/83/49/1318928349.db2.gz BVYVCOBHNUHTDU-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)o1 ZINC000912811135 1318938413 /nfs/dbraw/zinc/93/84/13/1318938413.db2.gz FDUUMNLQXZYLRE-WMZOPIPTSA-N 2 0 349.519 3.314 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000960833920 1318963816 /nfs/dbraw/zinc/96/38/16/1318963816.db2.gz OUGQVKGYDMPLQB-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000960835657 1318965972 /nfs/dbraw/zinc/96/59/72/1318965972.db2.gz RHCAQXNTEPEIHN-RBUKOAKNSA-N 2 0 335.536 3.115 20 0 EGADRP C[C@H](c1ncccn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000930169644 1328803320 /nfs/dbraw/zinc/80/33/20/1328803320.db2.gz DQDKFYSEWAKGIQ-MRXNPFEDSA-N 2 0 325.460 3.171 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)CC1CCCCC1 ZINC000960916702 1319062613 /nfs/dbraw/zinc/06/26/13/1319062613.db2.gz NQKHTSFMOQLSCV-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC001022711964 1319078837 /nfs/dbraw/zinc/07/88/37/1319078837.db2.gz HBPJCOGPPBVPPL-CADBVGFASA-N 2 0 343.515 3.086 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)c1ccccc1Cl ZINC001022712670 1319079983 /nfs/dbraw/zinc/07/99/83/1319079983.db2.gz XFDWZCNGBFLXON-YHUYYLMFSA-N 2 0 349.906 3.122 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001022711678 1319080029 /nfs/dbraw/zinc/08/00/29/1319080029.db2.gz COTSYQCZGCOOQI-DFEHZGFQSA-N 2 0 349.906 3.122 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC001022886684 1319150787 /nfs/dbraw/zinc/15/07/87/1319150787.db2.gz GFDNUADNCXNCOJ-ZGXWSNOMSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001023124210 1319272775 /nfs/dbraw/zinc/27/27/75/1319272775.db2.gz BZJQHADPHRSCDI-QGZVKYPTSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961157788 1319280353 /nfs/dbraw/zinc/28/03/53/1319280353.db2.gz OEZJLTLSGRZUHZ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961278995 1319435236 /nfs/dbraw/zinc/43/52/36/1319435236.db2.gz ZPWVNZOLSCJPGV-PMACEKPBSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000817891477 1319453859 /nfs/dbraw/zinc/45/38/59/1319453859.db2.gz LFRLMYBIFDQJKM-IIDMSEBBSA-N 2 0 329.488 3.167 20 0 EGADRP CCOC(=O)N[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000817901029 1319454677 /nfs/dbraw/zinc/45/46/77/1319454677.db2.gz SPXBJAOOLNEGPF-XLAORIBOSA-N 2 0 339.524 3.048 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000817904236 1319456943 /nfs/dbraw/zinc/45/69/43/1319456943.db2.gz ARQAEMWCKSXQOE-QHRIQVFBSA-N 2 0 331.435 3.151 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000817915869 1319460619 /nfs/dbraw/zinc/46/06/19/1319460619.db2.gz AFQSLSNFYLDZRY-YZGWKJHDSA-N 2 0 343.515 3.078 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cc(F)cc(Cl)c1 ZINC000817926826 1319462829 /nfs/dbraw/zinc/46/28/29/1319462829.db2.gz AMTLWGUMIMKPLX-XMTFNYHQSA-N 2 0 340.870 3.413 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000817948419 1319473487 /nfs/dbraw/zinc/47/34/87/1319473487.db2.gz JNNQXJDPVAWDIK-WBDAEOGXSA-N 3 0 349.522 3.473 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817966780 1319479336 /nfs/dbraw/zinc/47/93/36/1319479336.db2.gz VJLYFOFSSFBKFQ-HNAYVOBHSA-N 2 0 331.460 3.074 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817964833 1319479447 /nfs/dbraw/zinc/47/94/47/1319479447.db2.gz KOLAQZRGLFIIAE-OAHLLOKOSA-N 2 0 331.460 3.074 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023404018 1319512068 /nfs/dbraw/zinc/51/20/68/1319512068.db2.gz PBDNPFIBOBFIJU-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP COC(OC)c1ccc(F)c(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000818215868 1319519709 /nfs/dbraw/zinc/51/97/09/1319519709.db2.gz PSBXNUDVBCZGPD-UHFFFAOYSA-N 2 0 326.456 3.327 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453615 1319556810 /nfs/dbraw/zinc/55/68/10/1319556810.db2.gz CYRKFEJOZBWCFS-RDJZCZTQSA-N 2 0 342.487 3.131 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023457348 1319558902 /nfs/dbraw/zinc/55/89/02/1319558902.db2.gz NMIQHLXHRLNFOE-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961421522 1319578995 /nfs/dbraw/zinc/57/89/95/1319578995.db2.gz NAESWNAJSNSYMU-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000818964182 1319593467 /nfs/dbraw/zinc/59/34/67/1319593467.db2.gz NEUBABZFBFQESN-FQEVSTJZSA-N 2 0 330.447 3.491 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1F ZINC000819015564 1319614916 /nfs/dbraw/zinc/61/49/16/1319614916.db2.gz KBZPLMFFLYYVOJ-WIYYLYMNSA-N 2 0 342.458 3.013 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000819101815 1319635419 /nfs/dbraw/zinc/63/54/19/1319635419.db2.gz FHARGTZZQAZVQI-DOMZBBRYSA-N 2 0 343.309 3.048 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC001023695446 1319821038 /nfs/dbraw/zinc/82/10/38/1319821038.db2.gz BASULCWULZYDBP-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC)C1 ZINC001023696981 1319823326 /nfs/dbraw/zinc/82/33/26/1319823326.db2.gz ZSDZRGREVJVZQG-MOPGFXCFSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023761840 1319909441 /nfs/dbraw/zinc/90/94/41/1319909441.db2.gz KMABBJYAVPHCPT-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000821767406 1320030876 /nfs/dbraw/zinc/03/08/76/1320030876.db2.gz MVTMPTOPVSGWQU-MRXNPFEDSA-N 2 0 348.450 3.157 20 0 EGADRP Brc1ccc(C[C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000823591461 1320189595 /nfs/dbraw/zinc/18/95/95/1320189595.db2.gz QXGPXLSQSDWHOS-KRWDZBQOSA-N 2 0 337.305 3.456 20 0 EGADRP COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000825916007 1320370971 /nfs/dbraw/zinc/37/09/71/1320370971.db2.gz GXHOMIFAHRRCKL-UHFFFAOYSA-N 2 0 344.430 3.306 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841032037 1321204479 /nfs/dbraw/zinc/20/44/79/1321204479.db2.gz HKYBDZQBNBBYHC-UHFFFAOYSA-N 2 0 336.382 3.088 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000859213423 1328947754 /nfs/dbraw/zinc/94/77/54/1328947754.db2.gz XBODFOPERHYTQZ-FQEVSTJZSA-N 2 0 346.902 3.437 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)CCc2ccccc2)cc1 ZINC000859213144 1328947002 /nfs/dbraw/zinc/94/70/02/1328947002.db2.gz SEUKAVHJLJTNJM-OAQYLSRUSA-N 2 0 326.484 3.174 20 0 EGADRP COc1sc(C[N@H+](C)C2CCC([NH3+])CC2)cc1Br ZINC000843055808 1321463023 /nfs/dbraw/zinc/46/30/23/1321463023.db2.gz OZWYDWNDWTZYSZ-UHFFFAOYSA-N 2 0 333.295 3.221 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000843104898 1321471237 /nfs/dbraw/zinc/47/12/37/1321471237.db2.gz OMIZXWJXPKTGNK-UHFFFAOYSA-N 2 0 338.377 3.455 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)c(Cl)nc21 ZINC000843112066 1321472553 /nfs/dbraw/zinc/47/25/53/1321472553.db2.gz DAKUQUYBSUVWDV-CYBMUJFWSA-N 2 0 335.883 3.226 20 0 EGADRP Cc1cc(Br)cn2c(C[NH2+]CCCCCC[NH3+])cnc12 ZINC000843127827 1321474520 /nfs/dbraw/zinc/47/45/20/1321474520.db2.gz RCYLQNVUPMVUJJ-UHFFFAOYSA-N 2 0 339.281 3.014 20 0 EGADRP O[C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000843339717 1321501993 /nfs/dbraw/zinc/50/19/93/1321501993.db2.gz GNOODGMFOSPQQW-YHINDDMVSA-N 2 0 336.479 3.439 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843352446 1321504410 /nfs/dbraw/zinc/50/44/10/1321504410.db2.gz GHUIOSIFWPZUPZ-INIZCTEOSA-N 2 0 339.483 3.488 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000843354062 1321504955 /nfs/dbraw/zinc/50/49/55/1321504955.db2.gz VFGLRCWTIKVENY-VMEOHVCESA-N 2 0 339.483 3.219 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843387862 1321509656 /nfs/dbraw/zinc/50/96/56/1321509656.db2.gz JJROWOHECYVSFF-IRXDYDNUSA-N 2 0 340.467 3.177 20 0 EGADRP [NH3+]Cc1cc(NC(=O)CCCC[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000844194944 1321577463 /nfs/dbraw/zinc/57/74/63/1321577463.db2.gz OUVQJQHMOXZLJL-UHFFFAOYSA-N 2 0 343.393 3.369 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000844221741 1321579769 /nfs/dbraw/zinc/57/97/69/1321579769.db2.gz JNJKXGFPFXEKBX-UHFFFAOYSA-N 2 0 343.475 3.220 20 0 EGADRP COc1cccc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)oc21 ZINC000844909439 1321656865 /nfs/dbraw/zinc/65/68/65/1321656865.db2.gz BZAWMDUUNQOIOX-WDYCEAGBSA-N 2 0 344.455 3.302 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845980473 1321760674 /nfs/dbraw/zinc/76/06/74/1321760674.db2.gz GOEIRQCEIJQOEG-GTPINHCMSA-N 2 0 339.524 3.001 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](CO)CCF)cc1C[NH+]1CCCCC1 ZINC000846210029 1321776276 /nfs/dbraw/zinc/77/62/76/1321776276.db2.gz WGWWQQHFMKJQMU-MAUKXSAKSA-N 2 0 338.467 3.052 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])c2cc1C ZINC000846225465 1321778095 /nfs/dbraw/zinc/77/80/95/1321778095.db2.gz BTOACIOSDSPBTP-UGSOOPFHSA-N 2 0 328.456 3.359 20 0 EGADRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000849062050 1322063429 /nfs/dbraw/zinc/06/34/29/1322063429.db2.gz LSOUCGYHQLBAFH-DLBZAZTESA-N 2 0 345.535 3.162 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091401 1322074753 /nfs/dbraw/zinc/07/47/53/1322074753.db2.gz DGSYKKNGJVACGT-AWEZNQCLSA-N 2 0 342.409 3.050 20 0 EGADRP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCCC1 ZINC000849107086 1322081364 /nfs/dbraw/zinc/08/13/64/1322081364.db2.gz GUCOITCSZNVSMQ-NSHDSACASA-N 2 0 330.354 3.006 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2ccco2)cc1F ZINC000849111079 1322081841 /nfs/dbraw/zinc/08/18/41/1322081841.db2.gz USNPLWWVFJQQFZ-MRXNPFEDSA-N 2 0 344.434 3.184 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCCC[NH+]1CCCC1 ZINC000920762072 1322219636 /nfs/dbraw/zinc/21/96/36/1322219636.db2.gz FVFVEXMPDYMDQB-UHFFFAOYSA-N 2 0 345.531 3.409 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000850557097 1322266526 /nfs/dbraw/zinc/26/65/26/1322266526.db2.gz NACFQOYXNNFQBA-KNXALSJPSA-N 2 0 331.287 3.347 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000921544112 1322347144 /nfs/dbraw/zinc/34/71/44/1322347144.db2.gz SIWUDKOMLYILOY-ROUUACIJSA-N 2 0 345.531 3.236 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000921982040 1322434321 /nfs/dbraw/zinc/43/43/21/1322434321.db2.gz ZVRFKRXEULTWJK-IPMKNSEASA-N 2 0 334.529 3.017 20 0 EGADRP COc1cc2c(cc1OC)CC[NH+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923308560 1322730767 /nfs/dbraw/zinc/73/07/67/1322730767.db2.gz MATCXJMYZQHJOS-QNBRMCRTSA-N 2 0 344.499 3.025 20 0 EGADRP C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)[C@@H]1CCC[NH3+] ZINC000923386637 1322743966 /nfs/dbraw/zinc/74/39/66/1322743966.db2.gz ADKBBBXSMBKMRL-CSMYWGQOSA-N 2 0 328.859 3.352 20 0 EGADRP CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923493031 1322761262 /nfs/dbraw/zinc/76/12/62/1322761262.db2.gz QERJFKCYSJOMGW-CRAIPNDOSA-N 2 0 349.494 3.090 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000924605002 1323071666 /nfs/dbraw/zinc/07/16/66/1323071666.db2.gz RJOOEKRVUXLZMO-YLJYHZDGSA-N 2 0 343.515 3.065 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024019228 1323081195 /nfs/dbraw/zinc/08/11/95/1323081195.db2.gz WQQHWAVZXFBUSA-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000851807263 1323095674 /nfs/dbraw/zinc/09/56/74/1323095674.db2.gz DUHBOXFSCKHEFQ-QHAWAJNXSA-N 2 0 348.531 3.056 20 0 EGADRP C[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670388 1323103953 /nfs/dbraw/zinc/10/39/53/1323103953.db2.gz ZPGAMIWHCUACQO-HOTGVXAUSA-N 2 0 343.471 3.250 20 0 EGADRP C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000924669740 1323104367 /nfs/dbraw/zinc/10/43/67/1323104367.db2.gz AZMZKBRRDWLCIJ-AWEZNQCLSA-N 2 0 331.426 3.283 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2ccccc2[nH]1 ZINC000924690575 1323113802 /nfs/dbraw/zinc/11/38/02/1323113802.db2.gz QSMQFWDCLQADNW-INIZCTEOSA-N 2 0 349.482 3.166 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1(Br)CC1 ZINC000924702805 1323121742 /nfs/dbraw/zinc/12/17/42/1323121742.db2.gz AOBQRNNXSOTUIM-CYBMUJFWSA-N 2 0 341.293 3.033 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001024090138 1323122875 /nfs/dbraw/zinc/12/28/75/1323122875.db2.gz DIRPBRIVMVXADY-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C1(Cl)CC1 ZINC000924796860 1323166166 /nfs/dbraw/zinc/16/61/66/1323166166.db2.gz FEKPVWSCIURCID-QGZVFWFLSA-N 2 0 335.923 3.338 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000924862394 1323190206 /nfs/dbraw/zinc/19/02/06/1323190206.db2.gz UTBQEEUIJJYNGC-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000925048151 1323256748 /nfs/dbraw/zinc/25/67/48/1323256748.db2.gz JEXFSOYSOBNUHW-QGZVFWFLSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001024278145 1323256906 /nfs/dbraw/zinc/25/69/06/1323256906.db2.gz DPCSMBSDQRDZKB-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2cnnc2)c1 ZINC000925085807 1323273536 /nfs/dbraw/zinc/27/35/36/1323273536.db2.gz JPZZCGYDVDWMEV-MAUKXSAKSA-N 2 0 329.492 3.284 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024366601 1323340048 /nfs/dbraw/zinc/34/00/48/1323340048.db2.gz TXXLGKYGCMINAB-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024437871 1323398527 /nfs/dbraw/zinc/39/85/27/1323398527.db2.gz XVURNPSBZZPVTD-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479733 1323432740 /nfs/dbraw/zinc/43/27/40/1323432740.db2.gz OHMIDTDROYUEEA-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001024760484 1323662777 /nfs/dbraw/zinc/66/27/77/1323662777.db2.gz UCXQXIIVUBDPDO-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCC2)c1 ZINC001024810579 1323713984 /nfs/dbraw/zinc/71/39/84/1323713984.db2.gz GXFOOSHJOHKSHZ-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813642 1323715408 /nfs/dbraw/zinc/71/54/08/1323715408.db2.gz DAWHMZXVYSHQCQ-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC001024998583 1323817726 /nfs/dbraw/zinc/81/77/26/1323817726.db2.gz FTLOILKYZWLQKY-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC000931437335 1329117713 /nfs/dbraw/zinc/11/77/13/1329117713.db2.gz FTMFBNKWOVKDLG-CABCVRRESA-N 2 0 328.378 3.011 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001025073603 1323874807 /nfs/dbraw/zinc/87/48/07/1323874807.db2.gz NFDVLGKBBXQVNU-WOJBJXKFSA-N 2 0 345.531 3.052 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001025168618 1323937047 /nfs/dbraw/zinc/93/70/47/1323937047.db2.gz PXRQOJNGRQBAKA-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001025168407 1323937555 /nfs/dbraw/zinc/93/75/55/1323937555.db2.gz CEFDTEGFDKRVSN-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240695 1324033698 /nfs/dbraw/zinc/03/36/98/1324033698.db2.gz QLPGRDISMFXEDK-OALUTQOASA-N 2 0 347.547 3.282 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CCC2CC2)CCC1 ZINC001025241098 1324035858 /nfs/dbraw/zinc/03/58/58/1324035858.db2.gz UPDZQGNMADLZGA-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431828 1324269140 /nfs/dbraw/zinc/26/91/40/1324269140.db2.gz CYLVLFBURKDUKS-CABCVRRESA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453699 1324294506 /nfs/dbraw/zinc/29/45/06/1324294506.db2.gz SUKBDFUHXFAYQP-RBUKOAKNSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470404 1324315357 /nfs/dbraw/zinc/31/53/57/1324315357.db2.gz XCLPCIDQUNDPSF-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474023 1324318791 /nfs/dbraw/zinc/31/87/91/1324318791.db2.gz IHWKIUUAEWXNPU-FUHWJXTLSA-N 2 0 340.471 3.131 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630798 1324483072 /nfs/dbraw/zinc/48/30/72/1324483072.db2.gz WMXBVJQXADHLEV-ZWKOTPCHSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026492404 1324846076 /nfs/dbraw/zinc/84/60/76/1324846076.db2.gz LDGKTDNSWMGTGL-MHJFOBGBSA-N 2 0 343.515 3.076 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001026549154 1324886472 /nfs/dbraw/zinc/88/64/72/1324886472.db2.gz AJPPVNFNRKLEFV-YUKKFIBKSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026550857 1324887167 /nfs/dbraw/zinc/88/71/67/1324887167.db2.gz YKRKORMAGQNSNU-UHFFFAOYSA-N 2 0 347.503 3.162 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000853131337 1325053748 /nfs/dbraw/zinc/05/37/48/1325053748.db2.gz FJJVIAUXEODMDI-SFHVURJKSA-N 2 0 340.870 3.224 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026874889 1325059488 /nfs/dbraw/zinc/05/94/88/1325059488.db2.gz BPWDIELRMPGWEG-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925225552 1325087895 /nfs/dbraw/zinc/08/78/95/1325087895.db2.gz HCCHBEATQFYGSN-OOHRUWKFSA-N 2 0 326.550 3.282 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(C[NH+](C)C)c1 ZINC000925259921 1325102417 /nfs/dbraw/zinc/10/24/17/1325102417.db2.gz YGNOWBCJVATBMN-CRAIPNDOSA-N 2 0 342.462 3.212 20 0 EGADRP CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000963331031 1325114692 /nfs/dbraw/zinc/11/46/92/1325114692.db2.gz JZODNCTUBLVMSC-WWDZGPRUSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000963331030 1325115311 /nfs/dbraw/zinc/11/53/11/1325115311.db2.gz JZODNCTUBLVMSC-AOCRQIFASA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925457407 1325159648 /nfs/dbraw/zinc/15/96/48/1325159648.db2.gz TZSAPYSWDAGXJB-UGSOOPFHSA-N 2 0 334.410 3.411 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000963380818 1325181864 /nfs/dbraw/zinc/18/18/64/1325181864.db2.gz XFPUDOCUYXRXDZ-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000963385498 1325185234 /nfs/dbraw/zinc/18/52/34/1325185234.db2.gz JMJGDFXUSBOFMK-UHFFFAOYSA-N 2 0 337.533 3.193 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925524324 1325189373 /nfs/dbraw/zinc/18/93/73/1325189373.db2.gz RORKZOVLHBDOQH-LEWJYISDSA-N 2 0 338.499 3.189 20 0 EGADRP O[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000925620444 1325234281 /nfs/dbraw/zinc/23/42/81/1325234281.db2.gz GSFJRJIDWAGHSP-FNRAGVLCSA-N 2 0 328.500 3.465 20 0 EGADRP C[C@H]1[NH2+]CCC[C@H]1NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925621545 1325234834 /nfs/dbraw/zinc/23/48/34/1325234834.db2.gz FBYYGMRKVVJHQH-OXQOHEQNSA-N 2 0 327.472 3.142 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1 ZINC000925642468 1325245011 /nfs/dbraw/zinc/24/50/11/1325245011.db2.gz TUTHMABXSNGAQC-NYLDSWQDSA-N 2 0 339.483 3.282 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925655062 1325250806 /nfs/dbraw/zinc/25/08/06/1325250806.db2.gz UHVRLLOFTMGQLV-BAGYTPMASA-N 2 0 341.543 3.266 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925676978 1325259200 /nfs/dbraw/zinc/25/92/00/1325259200.db2.gz RDBOXTVLKYRSNZ-KPFFTGBYSA-N 2 0 345.506 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027163284 1325262926 /nfs/dbraw/zinc/26/29/26/1325262926.db2.gz BKROJSBIJIQPSE-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C(=O)NCc1cccs1 ZINC000925713813 1325267803 /nfs/dbraw/zinc/26/78/03/1325267803.db2.gz UNZBEPLAIRLKOX-MSOLQXFVSA-N 2 0 345.512 3.213 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000925740286 1325276904 /nfs/dbraw/zinc/27/69/04/1325276904.db2.gz HURHBWFBBSRWMJ-CABCVRRESA-N 2 0 341.293 3.386 20 0 EGADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963519396 1325287977 /nfs/dbraw/zinc/28/79/77/1325287977.db2.gz IWACLHJWGSDRFL-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)C(C)(C)C[NH+](C)C ZINC000857136373 1325577601 /nfs/dbraw/zinc/57/76/01/1325577601.db2.gz IKFSOTOGQOIVIT-LPHOPBHVSA-N 2 0 345.531 3.202 20 0 EGADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857141956 1325580082 /nfs/dbraw/zinc/58/00/82/1325580082.db2.gz OQHNQFDTMMLCJV-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857147069 1325582315 /nfs/dbraw/zinc/58/23/15/1325582315.db2.gz XYTYYBPHCHNGGZ-SLFFLAALSA-N 2 0 343.515 3.098 20 0 EGADRP C[N@H+](CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000926557328 1327615946 /nfs/dbraw/zinc/61/59/46/1327615946.db2.gz BIDYNZIDHPTETM-MRXNPFEDSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001027416944 1327644193 /nfs/dbraw/zinc/64/41/93/1327644193.db2.gz PWGLFKPJNMERDU-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC34CCCCC4)CC2)ccn1 ZINC000926694994 1327671328 /nfs/dbraw/zinc/67/13/28/1327671328.db2.gz XKSBDWGLTUGIER-HXUWFJFHSA-N 2 0 343.515 3.375 20 0 EGADRP CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001027441247 1327681673 /nfs/dbraw/zinc/68/16/73/1327681673.db2.gz CBENTSRCXLLKHM-QLOJAFMTSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CCC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442338 1327682643 /nfs/dbraw/zinc/68/26/43/1327682643.db2.gz DLXWBYOCUORZHL-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481836 1327735822 /nfs/dbraw/zinc/73/58/22/1327735822.db2.gz WYQYTJXDGYMELY-IBGZPJMESA-N 2 0 348.450 3.071 20 0 EGADRP CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542503 1327845186 /nfs/dbraw/zinc/84/51/86/1327845186.db2.gz MEQSKXLLTUKJMS-MOPGFXCFSA-N 2 0 335.536 3.116 20 0 EGADRP C[N@H+](CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541845 1327845402 /nfs/dbraw/zinc/84/54/02/1327845402.db2.gz CBKVVJSCGWMIFQ-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027576971 1327913186 /nfs/dbraw/zinc/91/31/86/1327913186.db2.gz BDDWBSPFOXSVTH-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2c(C)cccc2C)C1)[NH+](C)C ZINC001027580826 1327917376 /nfs/dbraw/zinc/91/73/76/1327917376.db2.gz BDUUEFNDFCNGAK-ICSRJNTNSA-N 2 0 345.531 3.066 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027651154 1328032146 /nfs/dbraw/zinc/03/21/46/1328032146.db2.gz LPCOIVIHYXGJSM-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001027694490 1328100935 /nfs/dbraw/zinc/10/09/35/1328100935.db2.gz AERKCTHVCCPCNU-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027917910 1328394064 /nfs/dbraw/zinc/39/40/64/1328394064.db2.gz HOECPUAXBGTFQJ-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027919223 1328396456 /nfs/dbraw/zinc/39/64/56/1328396456.db2.gz UKMFKXYLYJXTQG-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP COCCC[N@H+](C)CCOc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000863691746 1329575505 /nfs/dbraw/zinc/57/55/05/1329575505.db2.gz JUFFGIPEDKYVQA-UHFFFAOYSA-N 2 0 340.467 3.304 20 0 EGADRP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000865496036 1329705203 /nfs/dbraw/zinc/70/52/03/1329705203.db2.gz RFGSZQBBXODNJE-UXHICEINSA-N 2 0 346.515 3.331 20 0 EGADRP C[C@H]1C[C@@H](CCNC(=O)CC[NH2+]C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000935058011 1330025766 /nfs/dbraw/zinc/02/57/66/1330025766.db2.gz FLQQDOJKUMASGD-PKOBYXMFSA-N 2 0 345.531 3.182 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000935327416 1330044856 /nfs/dbraw/zinc/04/48/56/1330044856.db2.gz DELPATNDSYGYKZ-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000866549254 1330125130 /nfs/dbraw/zinc/12/51/30/1330125130.db2.gz IRTKSJXXZUHCNO-KOMQPUFPSA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC000939454976 1330438176 /nfs/dbraw/zinc/43/81/76/1330438176.db2.gz WSPOVGCYVKJCMT-YLJYHZDGSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]1C[N@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556167 1331971502 /nfs/dbraw/zinc/97/15/02/1331971502.db2.gz WKDZFOBQSPDVIH-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942720400 1332024796 /nfs/dbraw/zinc/02/47/96/1332024796.db2.gz IQHJBPOFEMDUNX-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945338328 1332561190 /nfs/dbraw/zinc/56/11/90/1332561190.db2.gz ZYAGRJZYMHVUKL-WMZOPIPTSA-N 2 0 349.519 3.362 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]2CC1)C1CCC1 ZINC000946623507 1332864426 /nfs/dbraw/zinc/86/44/26/1332864426.db2.gz KRLXYTDBICXGPP-HDICACEKSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436442 1333126680 /nfs/dbraw/zinc/12/66/80/1333126680.db2.gz IXBGGTPOKCTKBH-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CC1CCCC1 ZINC000947552257 1333169776 /nfs/dbraw/zinc/16/97/76/1333169776.db2.gz SWAFSGGXGZSWSE-MAUKXSAKSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCCC1 ZINC000948040124 1333350127 /nfs/dbraw/zinc/35/01/27/1333350127.db2.gz MXDRLSWMIYGQIW-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)C)[C@H](C)C2)o1 ZINC000948079515 1333368698 /nfs/dbraw/zinc/36/86/98/1333368698.db2.gz XARNJPJEBCZRSN-SJORKVTESA-N 2 0 349.519 3.360 20 0 EGADRP CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416844 1333517204 /nfs/dbraw/zinc/51/72/04/1333517204.db2.gz QSIUXYBXCZKKFW-INIZCTEOSA-N 2 0 337.533 3.146 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948435701 1333523925 /nfs/dbraw/zinc/52/39/25/1333523925.db2.gz NZGWNQSDSLBJCW-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948574506 1333583276 /nfs/dbraw/zinc/58/32/76/1333583276.db2.gz GXEOCAFXYRKNIH-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574821 1333583534 /nfs/dbraw/zinc/58/35/34/1333583534.db2.gz LMJSKWRQQUVTOM-WOJBJXKFSA-N 2 0 349.563 3.386 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(C)C)CC2)C1 ZINC000948710315 1333641852 /nfs/dbraw/zinc/64/18/52/1333641852.db2.gz AFCHBHGQISBLHA-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(C)C)CC2)C1 ZINC000948710311 1333641904 /nfs/dbraw/zinc/64/19/04/1333641904.db2.gz AFCHBHGQISBLHA-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000948755792 1333663391 /nfs/dbraw/zinc/66/33/91/1333663391.db2.gz LQKPTOAUYPKMHE-SOAGJPPSSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948775730 1333674165 /nfs/dbraw/zinc/67/41/65/1333674165.db2.gz PMYREOMTDIJCKT-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC000948778693 1333676052 /nfs/dbraw/zinc/67/60/52/1333676052.db2.gz BLXVPPVPNXELPL-AZUAARDMSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851817 1333709077 /nfs/dbraw/zinc/70/90/77/1333709077.db2.gz BOGUGINYRGANJL-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000949043375 1333769929 /nfs/dbraw/zinc/76/99/29/1333769929.db2.gz SCJIEWMKIBNJGJ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951195161 1334203713 /nfs/dbraw/zinc/20/37/13/1334203713.db2.gz FYBMCJYOKYHVEV-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000951609153 1334278401 /nfs/dbraw/zinc/27/84/01/1334278401.db2.gz RAGMYEMRKGDPDV-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@H]2C)CC1 ZINC000968460247 1335932295 /nfs/dbraw/zinc/93/22/95/1335932295.db2.gz RKUMNVGZHGEDKE-UYAOXDASSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968782707 1336048381 /nfs/dbraw/zinc/04/83/81/1336048381.db2.gz YQQCCUHOQDTRRJ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858931 1336070903 /nfs/dbraw/zinc/07/09/03/1336070903.db2.gz JZWOTPGHEJAQNG-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC000968863936 1336072189 /nfs/dbraw/zinc/07/21/89/1336072189.db2.gz NFANHZKEEDUDDP-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(C)C ZINC000968928058 1336092375 /nfs/dbraw/zinc/09/23/75/1336092375.db2.gz ASUQNIZHKONYOD-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC000968989300 1336111644 /nfs/dbraw/zinc/11/16/44/1336111644.db2.gz HSXAXSRPPDJOLQ-GGPKGHCWSA-N 2 0 345.531 3.141 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(C)C)C1 ZINC000968990708 1336112491 /nfs/dbraw/zinc/11/24/91/1336112491.db2.gz KZZFUMRTDVZHER-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000969059869 1336133842 /nfs/dbraw/zinc/13/38/42/1336133842.db2.gz TWLHJBYDZQLCEI-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000969099353 1336142720 /nfs/dbraw/zinc/14/27/20/1336142720.db2.gz NVDDQWCSSVNHHY-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000969152457 1336164491 /nfs/dbraw/zinc/16/44/91/1336164491.db2.gz UNFDCSLJHYLQES-QGZVFWFLSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969648089 1336233507 /nfs/dbraw/zinc/23/35/07/1336233507.db2.gz IUYJOVFVGDBANY-FXAWDEMLSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680845 1336236507 /nfs/dbraw/zinc/23/65/07/1336236507.db2.gz OZORZJJEECKOLQ-ZWKOTPCHSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000969948321 1336263895 /nfs/dbraw/zinc/26/38/95/1336263895.db2.gz JTSDJOIFYWCAJN-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005490366 1336360380 /nfs/dbraw/zinc/36/03/80/1336360380.db2.gz AHDHBKGASSZEMD-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005502938 1336363178 /nfs/dbraw/zinc/36/31/78/1336363178.db2.gz FZXDJNJZJBTMLG-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005639268 1336386552 /nfs/dbraw/zinc/38/65/52/1336386552.db2.gz HRDKVDDVJMDAIP-HKUYNNGSSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001005642575 1336386919 /nfs/dbraw/zinc/38/69/19/1336386919.db2.gz HZMQUGADFULCIP-QLOJAFMTSA-N 2 0 349.563 3.076 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205617839 1370813403 /nfs/dbraw/zinc/81/34/03/1370813403.db2.gz OLPBQTATOSEGCZ-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005773446 1336400612 /nfs/dbraw/zinc/40/06/12/1336400612.db2.gz QUIMMOOAJHWHNK-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873493 1336414260 /nfs/dbraw/zinc/41/42/60/1336414260.db2.gz PIVOMVVDUAPCQN-LJQANCHMSA-N 2 0 335.536 3.116 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006084113 1336449751 /nfs/dbraw/zinc/44/97/51/1336449751.db2.gz MUUUQNFEKVGQFJ-MJGOQNOKSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001006085479 1336450287 /nfs/dbraw/zinc/45/02/87/1336450287.db2.gz WMDXSNLPEOOQOF-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001006121289 1336455083 /nfs/dbraw/zinc/45/50/83/1336455083.db2.gz UWCLKIXSCPLTGC-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206022247 1370940961 /nfs/dbraw/zinc/94/09/61/1370940961.db2.gz BQIAIVUZRLYJHV-GXTWGEPZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001008746901 1336918978 /nfs/dbraw/zinc/91/89/78/1336918978.db2.gz KOQDBYXTPLWKFI-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008747481 1336919663 /nfs/dbraw/zinc/91/96/63/1336919663.db2.gz LIEBBIYXBQAFAX-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008883160 1336937588 /nfs/dbraw/zinc/93/75/88/1336937588.db2.gz PVUKRURDCBFEPN-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001009197258 1336985282 /nfs/dbraw/zinc/98/52/82/1336985282.db2.gz BVVSLZYYHZCMPG-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001009625484 1337048378 /nfs/dbraw/zinc/04/83/78/1337048378.db2.gz DLMWRVBHDPZSAS-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680163 1337059696 /nfs/dbraw/zinc/05/96/96/1337059696.db2.gz FMVAZJPRWLCRNI-SJORKVTESA-N 2 0 349.519 3.362 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001014423567 1337773460 /nfs/dbraw/zinc/77/34/60/1337773460.db2.gz KAVXRTOFJXRPGE-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433447 1337776653 /nfs/dbraw/zinc/77/66/53/1337776653.db2.gz KJNWBGQKHRPCQV-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014630168 1337853473 /nfs/dbraw/zinc/85/34/73/1337853473.db2.gz MRIWOGBJTAQUMI-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001014708309 1337877340 /nfs/dbraw/zinc/87/73/40/1337877340.db2.gz VVKZKYYKAKNBOC-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015056104 1338004101 /nfs/dbraw/zinc/00/41/01/1338004101.db2.gz GOURKUSYQLKSHS-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112018 1338022924 /nfs/dbraw/zinc/02/29/24/1338022924.db2.gz AXNKXHWFXRUVTM-QFBILLFUSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015386415 1338119889 /nfs/dbraw/zinc/11/98/89/1338119889.db2.gz HJZKFYNJQWKQDB-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015504582 1338162011 /nfs/dbraw/zinc/16/20/11/1338162011.db2.gz PNACCGNMUDNHAA-MJGOQNOKSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001015596258 1338200269 /nfs/dbraw/zinc/20/02/69/1338200269.db2.gz AEFCILHQKURZIY-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795814 1338315252 /nfs/dbraw/zinc/31/52/52/1338315252.db2.gz SRQQLLWHCGRKSO-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001015971592 1338384518 /nfs/dbraw/zinc/38/45/18/1338384518.db2.gz BRLVOONWGRQQAH-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015974027 1338387813 /nfs/dbraw/zinc/38/78/13/1338387813.db2.gz WTZVCOCBTDPZGD-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001016340475 1338555054 /nfs/dbraw/zinc/55/50/54/1338555054.db2.gz WTCCQOOHYRJXIV-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016622458 1338667792 /nfs/dbraw/zinc/66/77/92/1338667792.db2.gz WTBYOPIMJNOIHW-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016686910 1338689800 /nfs/dbraw/zinc/68/98/00/1338689800.db2.gz DQXUPGQDYDFRIL-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016697497 1338694777 /nfs/dbraw/zinc/69/47/77/1338694777.db2.gz HTHPZDJTQZSCDZ-SFHVURJKSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702137 1338696008 /nfs/dbraw/zinc/69/60/08/1338696008.db2.gz LBHDCSNXKFSZRZ-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2)[NH+]1CCCCCC1 ZINC001016861664 1338750573 /nfs/dbraw/zinc/75/05/73/1338750573.db2.gz OWYXMKGCSOQPGB-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016904834 1338764692 /nfs/dbraw/zinc/76/46/92/1338764692.db2.gz DYRPSUQNNNSMBX-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001017129246 1338884583 /nfs/dbraw/zinc/88/45/83/1338884583.db2.gz YLFCCIGWWAFKPH-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001017133594 1338886551 /nfs/dbraw/zinc/88/65/51/1338886551.db2.gz SZUOGQGWAQFSQU-YZGWKJHDSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C[N@H+](C)C(C)C)C2)o1 ZINC001017264822 1338990024 /nfs/dbraw/zinc/99/00/24/1338990024.db2.gz SPGNGBQXYJPVFY-QGZVFWFLSA-N 2 0 349.519 3.314 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1)[NH+]1CCCCC1 ZINC001017265911 1338991190 /nfs/dbraw/zinc/99/11/90/1338991190.db2.gz GTYJIMCWBWLQBL-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCC1 ZINC001017265944 1338992481 /nfs/dbraw/zinc/99/24/81/1338992481.db2.gz HBXFDYYRVQFXFN-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017554874 1339366756 /nfs/dbraw/zinc/36/67/56/1339366756.db2.gz FQXSHKOFWBDJLR-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+]([C@@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001017959591 1339468191 /nfs/dbraw/zinc/46/81/91/1339468191.db2.gz UKPYIQKHXCVCTK-YRPNKDGESA-N 2 0 343.515 3.153 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001028089305 1340418775 /nfs/dbraw/zinc/41/87/75/1340418775.db2.gz YGYWQLICDQSNLU-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093873 1340422139 /nfs/dbraw/zinc/42/21/39/1340422139.db2.gz PUHKYGNDGCHSDA-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028114549 1340436349 /nfs/dbraw/zinc/43/63/49/1340436349.db2.gz IRTLEJYPIOIUJL-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001028181280 1340472173 /nfs/dbraw/zinc/47/21/73/1340472173.db2.gz QFRIEQGNODKRBT-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001028334982 1340572577 /nfs/dbraw/zinc/57/25/77/1340572577.db2.gz LZINEORPGHROQU-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP O=C(NC[C@H]1CC[N@H+](CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028659084 1340745339 /nfs/dbraw/zinc/74/53/39/1340745339.db2.gz NVTYZNBGKFTMET-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661138 1340746078 /nfs/dbraw/zinc/74/60/78/1340746078.db2.gz GDGYNZAWSSGXSX-IRXDYDNUSA-N 2 0 348.450 3.147 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001028756154 1340791176 /nfs/dbraw/zinc/79/11/76/1340791176.db2.gz YBNUHPIEZSLAEZ-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755240 1340791821 /nfs/dbraw/zinc/79/18/21/1340791821.db2.gz JTENJLQYQKFKNI-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028845144 1340855676 /nfs/dbraw/zinc/85/56/76/1340855676.db2.gz GXSZNTGRPBUODX-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870277 1340869622 /nfs/dbraw/zinc/86/96/22/1340869622.db2.gz NRCVFVLKGQLQEH-IBGZPJMESA-N 2 0 345.531 3.236 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001029108093 1340931580 /nfs/dbraw/zinc/93/15/80/1340931580.db2.gz VXVJTZXPLIPDFS-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001029111539 1340932418 /nfs/dbraw/zinc/93/24/18/1340932418.db2.gz JVLVNMUGYVKRJS-QFBILLFUSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001029114638 1340933560 /nfs/dbraw/zinc/93/35/60/1340933560.db2.gz DRNWENZMJGDYAG-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001029132925 1340938947 /nfs/dbraw/zinc/93/89/47/1340938947.db2.gz BXQGASRIBKQTNZ-LPHOPBHVSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001029137129 1340940079 /nfs/dbraw/zinc/94/00/79/1340940079.db2.gz QXXHKQVUDQKQQR-QGZVFWFLSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001029137436 1340940393 /nfs/dbraw/zinc/94/03/93/1340940393.db2.gz XJUGOSGLPYFNEM-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001029173413 1340948544 /nfs/dbraw/zinc/94/85/44/1340948544.db2.gz PWVIUXSHARHHDM-IEBWSBKVSA-N 2 0 337.552 3.122 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001029359854 1340977288 /nfs/dbraw/zinc/97/72/88/1340977288.db2.gz LMXZBNDAZJTDLJ-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029599092 1341019239 /nfs/dbraw/zinc/01/92/39/1341019239.db2.gz UJIVFSVGCXIXBJ-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001029969740 1341138640 /nfs/dbraw/zinc/13/86/40/1341138640.db2.gz UPSIQQMYKGBWMO-UUKMXZOPSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001029973865 1341140389 /nfs/dbraw/zinc/14/03/89/1341140389.db2.gz QUFZSZKGXOVDBT-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCC1)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001030003356 1341154087 /nfs/dbraw/zinc/15/40/87/1341154087.db2.gz WWKIJCAGDWBWJZ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)C1 ZINC001030010464 1341156877 /nfs/dbraw/zinc/15/68/77/1341156877.db2.gz ROCHLLGMNAMARS-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001030010349 1341156890 /nfs/dbraw/zinc/15/68/90/1341156890.db2.gz MMQLLWLFZKRLDL-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001030019526 1341159672 /nfs/dbraw/zinc/15/96/72/1341159672.db2.gz NOSWXCMPJSMNQT-GBESFXJTSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001030025643 1341160511 /nfs/dbraw/zinc/16/05/11/1341160511.db2.gz GMAGONBGIYIZTQ-NLWGTHIKSA-N 2 0 343.515 3.039 20 0 EGADRP CC(C)c1ccc([C@H](C)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001030334793 1341178914 /nfs/dbraw/zinc/17/89/14/1341178914.db2.gz ACSNUOWHZTUCAB-RZQQEMMASA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)c1ccc([C@@H](C)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001030334792 1341179009 /nfs/dbraw/zinc/17/90/09/1341179009.db2.gz ACSNUOWHZTUCAB-JXXFODFXSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030442010 1341187686 /nfs/dbraw/zinc/18/76/86/1341187686.db2.gz KEUFHLWERJGNNH-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001030823391 1341230740 /nfs/dbraw/zinc/23/07/40/1341230740.db2.gz AHFVAIUHCAKQEM-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001031801413 1341403795 /nfs/dbraw/zinc/40/37/95/1341403795.db2.gz FYFVTYYOEBYIIV-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CCC3CCCCC3)C2)CC1 ZINC001032093971 1341453983 /nfs/dbraw/zinc/45/39/83/1341453983.db2.gz AKKIYLISEPFJCD-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1=CCCCC1 ZINC001032445462 1341511831 /nfs/dbraw/zinc/51/18/31/1341511831.db2.gz HDHSVJZMLFMESB-UFYCRDLUSA-N 2 0 345.531 3.035 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCCC2)CCC1 ZINC001032444164 1341511940 /nfs/dbraw/zinc/51/19/40/1341511940.db2.gz NRAOQGNRVCUAFW-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033077908 1341717774 /nfs/dbraw/zinc/71/77/74/1341717774.db2.gz TXRSKYVRXCWXLQ-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033083066 1341719195 /nfs/dbraw/zinc/71/91/95/1341719195.db2.gz UGRRULSCBVLIKX-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001033100451 1341722444 /nfs/dbraw/zinc/72/24/44/1341722444.db2.gz ZKWKOYKAVQJGMD-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033214367 1341754346 /nfs/dbraw/zinc/75/43/46/1341754346.db2.gz SWLQNXVIRZJPIH-GOSISDBHSA-N 2 0 342.487 3.225 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033353308 1341793673 /nfs/dbraw/zinc/79/36/73/1341793673.db2.gz GHAOIMLHZRBKEJ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033426441 1341822239 /nfs/dbraw/zinc/82/22/39/1341822239.db2.gz QQRUZRUUWDVSMS-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033545804 1341865209 /nfs/dbraw/zinc/86/52/09/1341865209.db2.gz ASNSWZMRQJSXQA-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033570494 1341878452 /nfs/dbraw/zinc/87/84/52/1341878452.db2.gz AXTNFMNKUCZSKJ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033826254 1342027224 /nfs/dbraw/zinc/02/72/24/1342027224.db2.gz NNEAMBDNROKMRT-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033826366 1342027493 /nfs/dbraw/zinc/02/74/93/1342027493.db2.gz OXQUXPNRLGXGSC-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033898779 1342070850 /nfs/dbraw/zinc/07/08/50/1342070850.db2.gz SMVKCSRINGQSFW-LJQANCHMSA-N 2 0 342.487 3.307 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033941883 1342103774 /nfs/dbraw/zinc/10/37/74/1342103774.db2.gz UIDWMYBVXUCDIJ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990254 1342133658 /nfs/dbraw/zinc/13/36/58/1342133658.db2.gz TWSNGCRJYUHQPC-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001034044440 1342184765 /nfs/dbraw/zinc/18/47/65/1342184765.db2.gz BAFAKSQRNIVCEH-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034131579 1342260793 /nfs/dbraw/zinc/26/07/93/1342260793.db2.gz NQFMDYFZKRDMSB-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034203609 1342314494 /nfs/dbraw/zinc/31/44/94/1342314494.db2.gz FUUPVPOYTQXQHC-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034204492 1342315175 /nfs/dbraw/zinc/31/51/75/1342315175.db2.gz MZTYDGNGOSVNSV-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001034215375 1342323509 /nfs/dbraw/zinc/32/35/09/1342323509.db2.gz YTPIELZEDPWPQR-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251027 1342347653 /nfs/dbraw/zinc/34/76/53/1342347653.db2.gz UZJCDQUDMVUJTE-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001034340328 1342413611 /nfs/dbraw/zinc/41/36/11/1342413611.db2.gz NOLQARUWUFIBHW-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034359944 1342431203 /nfs/dbraw/zinc/43/12/03/1342431203.db2.gz DJJNPGFMQUTEPL-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CC3=CCCCC3)C2)C1 ZINC001034393315 1342463058 /nfs/dbraw/zinc/46/30/58/1342463058.db2.gz CRYLDTPFWBYLRT-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034397205 1342465406 /nfs/dbraw/zinc/46/54/06/1342465406.db2.gz JJCJFDHWHMIJHA-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001034462089 1342518016 /nfs/dbraw/zinc/51/80/16/1342518016.db2.gz MWZRTLRNOMBTPG-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034491858 1342548329 /nfs/dbraw/zinc/54/83/29/1342548329.db2.gz ZEHPKEIIXBVWFC-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034491298 1342548395 /nfs/dbraw/zinc/54/83/95/1342548395.db2.gz RYKMPQXENURDNJ-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528300 1342584465 /nfs/dbraw/zinc/58/44/65/1342584465.db2.gz LWECASFZKNICNS-MOPGFXCFSA-N 2 0 343.515 3.123 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034537970 1342594646 /nfs/dbraw/zinc/59/46/46/1342594646.db2.gz GUDLJPYKWPGARV-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034539072 1342597650 /nfs/dbraw/zinc/59/76/50/1342597650.db2.gz VEAQZMVNVLVIHV-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001034606843 1342644924 /nfs/dbraw/zinc/64/49/24/1342644924.db2.gz GDIAGGWHNGRWGQ-FRYIKTPZSA-N 2 0 343.515 3.167 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2)[NH+]1CCCC1 ZINC001078696699 1357059939 /nfs/dbraw/zinc/05/99/39/1357059939.db2.gz XGBBPUHPZKCKTP-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC001034733471 1342728049 /nfs/dbraw/zinc/72/80/49/1342728049.db2.gz CPKRLOJMJGUYNX-PIKOESSRSA-N 2 0 343.515 3.106 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)C1 ZINC001034775518 1342752950 /nfs/dbraw/zinc/75/29/50/1342752950.db2.gz BTTXVZJTSFKNAH-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001034971369 1342858205 /nfs/dbraw/zinc/85/82/05/1342858205.db2.gz LHMPDYYKLDQKKM-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034980144 1342863390 /nfs/dbraw/zinc/86/33/90/1342863390.db2.gz OZZUGSXZLMOKDB-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001034981517 1342863985 /nfs/dbraw/zinc/86/39/85/1342863985.db2.gz BIQKLSMIIREPAZ-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078820483 1357100758 /nfs/dbraw/zinc/10/07/58/1357100758.db2.gz XFLRCKTVDPMUPP-OALUTQOASA-N 2 0 343.515 3.035 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185663 1343000356 /nfs/dbraw/zinc/00/03/56/1343000356.db2.gz YRERIRXQHLWTDU-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)CC2 ZINC001035202167 1343015109 /nfs/dbraw/zinc/01/51/09/1343015109.db2.gz SESLAQRONKDXME-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001035227393 1343049077 /nfs/dbraw/zinc/04/90/77/1343049077.db2.gz QMKLZEKGKVRPOR-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC3(C[NH+](C[C@H](C)CC)C3)CC2)C1 ZINC001035773320 1343184512 /nfs/dbraw/zinc/18/45/12/1343184512.db2.gz XBDQJKGPKGXLFY-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CCC(C)CC3)C2)CC1)[NH+](C)C ZINC001035796196 1343203726 /nfs/dbraw/zinc/20/37/26/1343203726.db2.gz BNRUHIDBJYOYON-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036137511 1343322890 /nfs/dbraw/zinc/32/28/90/1343322890.db2.gz NJXSILWZTLXTRJ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@@H](C)C2)CC1 ZINC001036242687 1343374200 /nfs/dbraw/zinc/37/42/00/1343374200.db2.gz WUECJYJPQWSOOJ-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]C(C)C)C2)o1 ZINC001036474577 1343505080 /nfs/dbraw/zinc/50/50/80/1343505080.db2.gz SDNOVEUBGOYHKX-SJORKVTESA-N 2 0 349.519 3.360 20 0 EGADRP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037855668 1344141315 /nfs/dbraw/zinc/14/13/15/1344141315.db2.gz WPXVNGORIMAOKG-RTBURBONSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037856945 1344142382 /nfs/dbraw/zinc/14/23/82/1344142382.db2.gz AQOMHWBEJCHQSB-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1[NH2+]CC(C)C ZINC001037871225 1344153613 /nfs/dbraw/zinc/15/36/13/1344153613.db2.gz XXEOYEYHHSDHLG-QFBILLFUSA-N 2 0 342.487 3.129 20 0 EGADRP CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037883583 1344158738 /nfs/dbraw/zinc/15/87/38/1344158738.db2.gz IAUYXIRQXFABRA-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1CC ZINC001037887083 1344161990 /nfs/dbraw/zinc/16/19/90/1344161990.db2.gz OJZBQWICDZWRKD-FXAWDEMLSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037903710 1344168481 /nfs/dbraw/zinc/16/84/81/1344168481.db2.gz JKBPPDLRHRPKRR-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038241927 1344339398 /nfs/dbraw/zinc/33/93/98/1344339398.db2.gz XFPJCVXQKXHILJ-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001038407824 1344414667 /nfs/dbraw/zinc/41/46/67/1344414667.db2.gz ZTTXFMMVFOMINI-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243113 1344970026 /nfs/dbraw/zinc/97/00/26/1344970026.db2.gz SNCZIUIZUGLOTA-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039284205 1344996128 /nfs/dbraw/zinc/99/61/28/1344996128.db2.gz ICNVPBXKZCGWIV-ALOPSCKCSA-N 2 0 340.471 3.168 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373482 1345032420 /nfs/dbraw/zinc/03/24/20/1345032420.db2.gz XAJBGMHCNBFQEA-HSALFYBXSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397501 1345045296 /nfs/dbraw/zinc/04/52/96/1345045296.db2.gz LKRHQEZEDUGLMH-MSOLQXFVSA-N 2 0 335.536 3.113 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040240796 1345390577 /nfs/dbraw/zinc/39/05/77/1345390577.db2.gz JNKSMLWPHDJDIS-TZIWHRDSSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240891 1345391403 /nfs/dbraw/zinc/39/14/03/1345391403.db2.gz KRJONPQDRIIJNX-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040277023 1345407888 /nfs/dbraw/zinc/40/78/88/1345407888.db2.gz TYPYMWCICGUZAM-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040396981 1345475960 /nfs/dbraw/zinc/47/59/60/1345475960.db2.gz XLWOKPKXYQNRLT-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433184 1345495981 /nfs/dbraw/zinc/49/59/81/1345495981.db2.gz UIDIBSZPGVPQJC-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492865 1345519223 /nfs/dbraw/zinc/51/92/23/1345519223.db2.gz GEOBDFJUJMMXRI-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040543284 1345538696 /nfs/dbraw/zinc/53/86/96/1345538696.db2.gz NMVNVPNRRNCZQG-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040544606 1345539093 /nfs/dbraw/zinc/53/90/93/1345539093.db2.gz XNIXECCKWHGUER-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041845099 1345871495 /nfs/dbraw/zinc/87/14/95/1345871495.db2.gz SRORVDSZHBZFBY-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845933 1345871733 /nfs/dbraw/zinc/87/17/33/1345871733.db2.gz SJVNWCNKUOKIJT-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001043198491 1346152548 /nfs/dbraw/zinc/15/25/48/1346152548.db2.gz RCJRALWFMUITMD-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001044034162 1346237301 /nfs/dbraw/zinc/23/73/01/1346237301.db2.gz GIKBEXFAIKFQHS-QUCCMNQESA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1C[NH+](CCC2CCCC2)C1 ZINC001044333913 1346301618 /nfs/dbraw/zinc/30/16/18/1346301618.db2.gz ZDFQYPIRHSBMEF-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630474 1346387906 /nfs/dbraw/zinc/38/79/06/1346387906.db2.gz WSMARCCCOUNZNF-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001044680785 1346402171 /nfs/dbraw/zinc/40/21/71/1346402171.db2.gz HQMVQJFMKOITOE-QAPCUYQASA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044726810 1346412987 /nfs/dbraw/zinc/41/29/87/1346412987.db2.gz CFOOHIIKCCFWEO-FXAWDEMLSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044743015 1346418395 /nfs/dbraw/zinc/41/83/95/1346418395.db2.gz JTGRWQFHOCTFDE-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044765223 1346423652 /nfs/dbraw/zinc/42/36/52/1346423652.db2.gz HHOVDGXELKGPLB-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825794 1346436251 /nfs/dbraw/zinc/43/62/51/1346436251.db2.gz WHALIHZVXYGQBK-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)c1 ZINC001045067072 1346489327 /nfs/dbraw/zinc/48/93/27/1346489327.db2.gz KQGSGZYOZTYFDT-MJGOQNOKSA-N 2 0 343.515 3.121 20 0 EGADRP O=C(N1CCC[C@H]1C[NH2+]CC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001045105509 1346495711 /nfs/dbraw/zinc/49/57/11/1346495711.db2.gz BIQKLSMIIREPAZ-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045164201 1346512970 /nfs/dbraw/zinc/51/29/70/1346512970.db2.gz IIPCWMIKVBRQKL-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)[NH+]1CCCCCC1 ZINC001045229602 1346536285 /nfs/dbraw/zinc/53/62/85/1346536285.db2.gz REKUIUGWWXIUSZ-AEFFLSMTSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045229835 1346536310 /nfs/dbraw/zinc/53/63/10/1346536310.db2.gz VYISFKGVTOSPAL-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045270845 1346544887 /nfs/dbraw/zinc/54/48/87/1346544887.db2.gz CVBAOOPJIFEVLI-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045321973 1346559768 /nfs/dbraw/zinc/55/97/68/1346559768.db2.gz DMCHWQAIECNUEZ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001045437809 1346593476 /nfs/dbraw/zinc/59/34/76/1346593476.db2.gz FCHGPKOGIBBVGK-QGZVFWFLSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001045438596 1346594208 /nfs/dbraw/zinc/59/42/08/1346594208.db2.gz SQTXVVNCBCRXCG-GOSISDBHSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045444977 1346595539 /nfs/dbraw/zinc/59/55/39/1346595539.db2.gz NEWFXEFFHFATNF-ZHALLVOQSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001045475804 1346602960 /nfs/dbraw/zinc/60/29/60/1346602960.db2.gz RAGCHAQWEOIFSR-ZWKOTPCHSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045491383 1346607620 /nfs/dbraw/zinc/60/76/20/1346607620.db2.gz WLCPSJSEVVGPJR-UHFFFAOYSA-N 2 0 328.460 3.027 20 0 EGADRP Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cs1 ZINC001045528898 1346618142 /nfs/dbraw/zinc/61/81/42/1346618142.db2.gz GRRHDAYNJDYTEN-KRWDZBQOSA-N 2 0 349.544 3.012 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938281 1346774526 /nfs/dbraw/zinc/77/45/26/1346774526.db2.gz WKFRVVOFYOOJPR-PZJWPPBQSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940578 1346776166 /nfs/dbraw/zinc/77/61/66/1346776166.db2.gz AYMQYLKWGPNHMM-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945671 1346781641 /nfs/dbraw/zinc/78/16/41/1346781641.db2.gz WSELGMAUQCSOCG-PZJWPPBQSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045948634 1346784271 /nfs/dbraw/zinc/78/42/71/1346784271.db2.gz NCHFHGTZVKBZCX-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966826 1346802037 /nfs/dbraw/zinc/80/20/37/1346802037.db2.gz HFYMHUXYZJOFBF-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977881 1346814503 /nfs/dbraw/zinc/81/45/03/1346814503.db2.gz KGDYFELYQUHXQG-NRFANRHFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483423 1346990769 /nfs/dbraw/zinc/99/07/69/1346990769.db2.gz AANGHQYNHYOKLW-IERDGZPVSA-N 2 0 348.450 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(CC)CC)C2)C1 ZINC001046561111 1347017725 /nfs/dbraw/zinc/01/77/25/1347017725.db2.gz DFYIHALIVOYHLN-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001046742003 1347079203 /nfs/dbraw/zinc/07/92/03/1347079203.db2.gz MPWDAYNQNUQGBN-OAQYLSRUSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863717 1347137038 /nfs/dbraw/zinc/13/70/38/1347137038.db2.gz HFOBXZIVIDDOMI-OXQOHEQNSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047255427 1347278967 /nfs/dbraw/zinc/27/89/67/1347278967.db2.gz ZPFIGLNEYBFYBQ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263312 1347284429 /nfs/dbraw/zinc/28/44/29/1347284429.db2.gz GASNNXSCCPAVSM-QUCCMNQESA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047924098 1347411387 /nfs/dbraw/zinc/41/13/87/1347411387.db2.gz LKKVYIQPUTUYFK-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048067769 1347458049 /nfs/dbraw/zinc/45/80/49/1347458049.db2.gz BGTRTEZYOJKOPT-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001048509787 1347572811 /nfs/dbraw/zinc/57/28/11/1347572811.db2.gz FRHTZQBTLSVIHA-IYWMVGAKSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001048537482 1347583328 /nfs/dbraw/zinc/58/33/28/1347583328.db2.gz CEYDPQVLGKLRGP-IYWMVGAKSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048573236 1347599413 /nfs/dbraw/zinc/59/94/13/1347599413.db2.gz YCNDTOAOCQFDPZ-FCGDIQPGSA-N 2 0 335.536 3.019 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001048622941 1347622484 /nfs/dbraw/zinc/62/24/84/1347622484.db2.gz MGBAGZRDEQSREY-FHWLQOOXSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1)C1CCC1 ZINC001049522428 1347890756 /nfs/dbraw/zinc/89/07/56/1347890756.db2.gz PZCWBSHSHZVJLF-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049566190 1347913500 /nfs/dbraw/zinc/91/35/00/1347913500.db2.gz HGNRREUZFUJPGV-AQNXPRMDSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001049707148 1347984335 /nfs/dbraw/zinc/98/43/35/1347984335.db2.gz CJWWGGVJGBMRRH-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821176 1348037791 /nfs/dbraw/zinc/03/77/91/1348037791.db2.gz UFBNJMGCUFUALJ-UXHICEINSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913993 1348109007 /nfs/dbraw/zinc/10/90/07/1348109007.db2.gz LCCJICDJAXBJBM-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001050262664 1348221975 /nfs/dbraw/zinc/22/19/75/1348221975.db2.gz ZXIZXCQSNLLKQM-RZQQEMMASA-N 2 0 343.515 3.094 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001050270766 1348224303 /nfs/dbraw/zinc/22/43/03/1348224303.db2.gz YTMFIBDGZCESLH-YRNRMSPPSA-N 2 0 343.515 3.094 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001050333558 1348229981 /nfs/dbraw/zinc/22/99/81/1348229981.db2.gz YKIRBSIIBGZNMB-ZHALLVOQSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001050376868 1348243131 /nfs/dbraw/zinc/24/31/31/1348243131.db2.gz MXXDXGWAAUIWIE-RUCARUNLSA-N 2 0 331.504 3.035 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050386934 1348246896 /nfs/dbraw/zinc/24/68/96/1348246896.db2.gz XXLXPQNQVDZGLH-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050689864 1348328468 /nfs/dbraw/zinc/32/84/68/1348328468.db2.gz OBWODHGZDVMNJA-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001050718157 1348336068 /nfs/dbraw/zinc/33/60/68/1348336068.db2.gz MUKDDDDHJCEPEI-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F)[NH+](C)C ZINC001051356349 1348442406 /nfs/dbraw/zinc/44/24/06/1348442406.db2.gz GIDHGUJIEZEOAI-FCEWJHQRSA-N 2 0 349.494 3.198 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CC2)CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001052381188 1348537039 /nfs/dbraw/zinc/53/70/39/1348537039.db2.gz MBQFLSRRTQACRR-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC001052858308 1348705503 /nfs/dbraw/zinc/70/55/03/1348705503.db2.gz BSTQTLCYISVKQG-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955274 1348769799 /nfs/dbraw/zinc/76/97/99/1348769799.db2.gz BTNCCLACBZZSPK-PKOBYXMFSA-N 2 0 345.531 3.379 20 0 EGADRP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCC2CCCC2)CC1 ZINC001052985353 1348788641 /nfs/dbraw/zinc/78/86/41/1348788641.db2.gz IUZSHNOCWXHSOP-OYRHEFFESA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036899 1348837457 /nfs/dbraw/zinc/83/74/57/1348837457.db2.gz RVDNOTLWYKNBJF-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001053051391 1348854858 /nfs/dbraw/zinc/85/48/58/1348854858.db2.gz OIGVVUXRYOQCOQ-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053097130 1348928246 /nfs/dbraw/zinc/92/82/46/1348928246.db2.gz CMVSZCDBEZSJMN-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142493 1349153145 /nfs/dbraw/zinc/15/31/45/1349153145.db2.gz CZDZEJALNWVKAX-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174347 1349175063 /nfs/dbraw/zinc/17/50/63/1349175063.db2.gz NFHYKJDCSJYCAV-OAQYLSRUSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001054183709 1349186586 /nfs/dbraw/zinc/18/65/86/1349186586.db2.gz OQNGWMDMTXBTLE-FPOVZHCZSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186497 1349189018 /nfs/dbraw/zinc/18/90/18/1349189018.db2.gz UFFGQQITFSLZLC-HXUWFJFHSA-N 2 0 347.503 3.069 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](CC)C3)C2)o1 ZINC001054246752 1349242077 /nfs/dbraw/zinc/24/20/77/1349242077.db2.gz INGQHGPCIWZFGS-HXUWFJFHSA-N 2 0 347.503 3.069 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054285186 1349286760 /nfs/dbraw/zinc/28/67/60/1349286760.db2.gz WLMLNEPFMUKKAK-FQEVSTJZSA-N 2 0 343.515 3.290 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001054297981 1349302248 /nfs/dbraw/zinc/30/22/48/1349302248.db2.gz IDPKLACKJBVZIV-QWFCFKBJSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001071508722 1354733492 /nfs/dbraw/zinc/73/34/92/1354733492.db2.gz SHWJSDDBPVHQQM-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735204 1354887056 /nfs/dbraw/zinc/88/70/56/1354887056.db2.gz HUQTUQMGQWMTDQ-FUHWJXTLSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1CCCCC1 ZINC001071871667 1354996066 /nfs/dbraw/zinc/99/60/66/1354996066.db2.gz JFWRNCLZCZNQSC-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCC(C)(C)C ZINC001071870756 1354996279 /nfs/dbraw/zinc/99/62/79/1354996279.db2.gz DLWKAPNOKORJMF-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071871991 1354997395 /nfs/dbraw/zinc/99/73/95/1354997395.db2.gz KPSDSEPKPQBXMR-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071972908 1355054176 /nfs/dbraw/zinc/05/41/76/1355054176.db2.gz CGIGTQXDPWXGNA-XLIONFOSSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCC1 ZINC001074024061 1356039989 /nfs/dbraw/zinc/03/99/89/1356039989.db2.gz VZCLTKNIRJIDST-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC001074028913 1356042345 /nfs/dbraw/zinc/04/23/45/1356042345.db2.gz RRZCJKKMZLRVPR-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C)cs1 ZINC001074693500 1356224269 /nfs/dbraw/zinc/22/42/69/1356224269.db2.gz DANMQBZQWYUQFA-JQHSSLGASA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001074686206 1356224342 /nfs/dbraw/zinc/22/43/42/1356224342.db2.gz YXUIEVNOGKAARO-IHPCNDPISA-N 2 0 343.515 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C ZINC001074686122 1356224516 /nfs/dbraw/zinc/22/45/16/1356224516.db2.gz QGGQHEJTIAEKRN-SXLOBPIMSA-N 2 0 347.547 3.329 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461304 1356394987 /nfs/dbraw/zinc/39/49/87/1356394987.db2.gz CCOIVNAMNFTYQB-ICSRJNTNSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183254735 1387285762 /nfs/dbraw/zinc/28/57/62/1387285762.db2.gz DSLUVULHZDYGLX-PWBPZBFBSA-N 2 0 335.536 3.186 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001099126907 1363639516 /nfs/dbraw/zinc/63/95/16/1363639516.db2.gz ZHLMIKOBHOWSLG-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344668 1363762471 /nfs/dbraw/zinc/76/24/71/1363762471.db2.gz NTNJKLKZLKYKGO-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@H]2C)o1 ZINC001081028706 1357786930 /nfs/dbraw/zinc/78/69/30/1357786930.db2.gz WPKVATDZCOAEMF-SJLPKXTDSA-N 2 0 347.503 3.138 20 0 EGADRP C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C)c1ccccc1 ZINC001082645213 1358068054 /nfs/dbraw/zinc/06/80/54/1358068054.db2.gz OBCRAGFEJMORRM-GQIGUUNPSA-N 2 0 348.450 3.146 20 0 EGADRP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001082782384 1358092324 /nfs/dbraw/zinc/09/23/24/1358092324.db2.gz UTPHILXRXSPGIU-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC001085202216 1358432337 /nfs/dbraw/zinc/43/23/37/1358432337.db2.gz SNKBPRZGANPJIW-VBSBHUPXSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085214666 1358435641 /nfs/dbraw/zinc/43/56/41/1358435641.db2.gz LASGPZZRDKYQKD-IAGOWNOFSA-N 2 0 349.544 3.240 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001085352576 1358476557 /nfs/dbraw/zinc/47/65/57/1358476557.db2.gz NRBVJCHWOZCCMU-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)CC1 ZINC001085380682 1358483500 /nfs/dbraw/zinc/48/35/00/1358483500.db2.gz KQKACQZJDJAHKP-WOJBJXKFSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085389806 1358487063 /nfs/dbraw/zinc/48/70/63/1358487063.db2.gz WDWLIRMNNBBYGI-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001085422165 1358495470 /nfs/dbraw/zinc/49/54/70/1358495470.db2.gz JXBWTCWLCWGAKB-IPMKNSEASA-N 2 0 349.563 3.172 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085423189 1358495845 /nfs/dbraw/zinc/49/58/45/1358495845.db2.gz BFDJVFUVAOZTNQ-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC2)o1 ZINC001085437017 1358499778 /nfs/dbraw/zinc/49/97/78/1358499778.db2.gz NETDZTUXTCNLAU-QZTJIDSGSA-N 2 0 347.503 3.162 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C2)cc1 ZINC001183759543 1387344530 /nfs/dbraw/zinc/34/45/30/1387344530.db2.gz MBPKFODMLFPMBP-LJQANCHMSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001183765207 1387345600 /nfs/dbraw/zinc/34/56/00/1387345600.db2.gz PXHIJUZPJZDINI-GOSISDBHSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085594071 1358621868 /nfs/dbraw/zinc/62/18/68/1358621868.db2.gz YDJCUSBTDIUIMZ-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001085605178 1358627390 /nfs/dbraw/zinc/62/73/90/1358627390.db2.gz BZPBQFXNYGIZBM-BHIYHBOVSA-N 2 0 349.563 3.076 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639556 1358653314 /nfs/dbraw/zinc/65/33/14/1358653314.db2.gz RDHRTPSZRQEFQV-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675066 1358678408 /nfs/dbraw/zinc/67/84/08/1358678408.db2.gz KFADEHCYEOPNJJ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085698975 1358692712 /nfs/dbraw/zinc/69/27/12/1358692712.db2.gz BNZDPNRFRVYOPE-APWZRJJASA-N 2 0 348.450 3.242 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085778611 1358753031 /nfs/dbraw/zinc/75/30/31/1358753031.db2.gz CLYJOHZAXMDOLQ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001085778787 1358753921 /nfs/dbraw/zinc/75/39/21/1358753921.db2.gz HJDCFWFYMXHVQB-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782128 1358756372 /nfs/dbraw/zinc/75/63/72/1358756372.db2.gz NQDBPSRVDBZVIH-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085855779 1358822170 /nfs/dbraw/zinc/82/21/70/1358822170.db2.gz JCIJMIOLANKSOW-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085856358 1358824096 /nfs/dbraw/zinc/82/40/96/1358824096.db2.gz XGBSYAVBZRWZAS-MSOLQXFVSA-N 2 0 337.552 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCC1 ZINC001085918648 1358878732 /nfs/dbraw/zinc/87/87/32/1358878732.db2.gz JKJAHVSKUBXHCD-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001323467397 1387373604 /nfs/dbraw/zinc/37/36/04/1387373604.db2.gz CWBLKUXGGCZLSR-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001086416906 1359091351 /nfs/dbraw/zinc/09/13/51/1359091351.db2.gz MYIFHTJFAVKZHN-WGSAOQKQSA-N 2 0 347.547 3.070 20 0 EGADRP Cc1c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001323522086 1387380992 /nfs/dbraw/zinc/38/09/92/1387380992.db2.gz NFMDJSKDFRBVPI-HZPDHXFCSA-N 2 0 342.487 3.131 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001086793954 1359202476 /nfs/dbraw/zinc/20/24/76/1359202476.db2.gz UUNPNLRATCDTRZ-AZUAARDMSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942549 1359263980 /nfs/dbraw/zinc/26/39/80/1359263980.db2.gz VDQKHOBNIIEJNR-OALUTQOASA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086951066 1359271248 /nfs/dbraw/zinc/27/12/48/1359271248.db2.gz SHRPBNRCGGFTJE-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CC2(CN1C(=O)[C@H]1CC[N@H+](C)C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086956613 1359277670 /nfs/dbraw/zinc/27/76/70/1359277670.db2.gz RHFAFIMJFJGDLH-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087165705 1359312534 /nfs/dbraw/zinc/31/25/34/1359312534.db2.gz ILESZNHTJQEPTH-HOJAQTOUSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001087181305 1359314840 /nfs/dbraw/zinc/31/48/40/1359314840.db2.gz LDUCTSHNUWKTPF-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001087213056 1359322991 /nfs/dbraw/zinc/32/29/91/1359322991.db2.gz CMLYCFAGXYDUQM-GGPKGHCWSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001087212426 1359323103 /nfs/dbraw/zinc/32/31/03/1359323103.db2.gz BFRBZNODCWFLEJ-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1CC ZINC001087593752 1359548013 /nfs/dbraw/zinc/54/80/13/1359548013.db2.gz UWMJPFFNPWBMJG-KSZLIROESA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCC(C)C ZINC001087602492 1359551006 /nfs/dbraw/zinc/55/10/06/1359551006.db2.gz RYEQDWMKKYXTHE-CEXWTWQISA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCC1CCCC1 ZINC001087726174 1359614410 /nfs/dbraw/zinc/61/44/10/1359614410.db2.gz UMLHCEZGRITHPZ-YTQUADARSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1CC ZINC001087792108 1359648797 /nfs/dbraw/zinc/64/87/97/1359648797.db2.gz NBLGRKYMHUCPNJ-IPMKNSEASA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCC(C)C ZINC001087839633 1359673585 /nfs/dbraw/zinc/67/35/85/1359673585.db2.gz MBADZFSPLZQSOG-VQTJNVASSA-N 2 0 345.531 3.377 20 0 EGADRP Cc1c(C(=O)N2CCCCC[C@H]([NH2+]CC(C)C)C2)ccc2c[nH+]cn21 ZINC001088337727 1359832520 /nfs/dbraw/zinc/83/25/20/1359832520.db2.gz MOISPMBEQIANTQ-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001088384182 1359865923 /nfs/dbraw/zinc/86/59/23/1359865923.db2.gz YUPGFGAEKGKSIF-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413119 1359883985 /nfs/dbraw/zinc/88/39/85/1359883985.db2.gz YQCHCQBNTRPMNE-PZJWPPBQSA-N 2 0 345.531 3.234 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088413601 1359884916 /nfs/dbraw/zinc/88/49/16/1359884916.db2.gz JXWXTUWVPHQXEU-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897646 1360096976 /nfs/dbraw/zinc/09/69/76/1360096976.db2.gz RKTKNCOQGWAJPY-LMMKCTJWSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001088898529 1360097475 /nfs/dbraw/zinc/09/74/75/1360097475.db2.gz JDXXYRGLTBNBJW-YZGWKJHDSA-N 2 0 343.515 3.029 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001089060986 1360152567 /nfs/dbraw/zinc/15/25/67/1360152567.db2.gz RGFDGWWRRLEGIB-NEWSRXKRSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070658 1360158670 /nfs/dbraw/zinc/15/86/70/1360158670.db2.gz QLWLQNCGUTXWSW-JZXOWHBKSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001184411598 1387452594 /nfs/dbraw/zinc/45/25/94/1387452594.db2.gz FJKHVPGGJJWLPZ-OALUTQOASA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457874 1360445051 /nfs/dbraw/zinc/44/50/51/1360445051.db2.gz HUDLAFMDTOQFRF-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089473306 1360456490 /nfs/dbraw/zinc/45/64/90/1360456490.db2.gz VIPDHLRMAPZZBM-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001089617489 1360537140 /nfs/dbraw/zinc/53/71/40/1360537140.db2.gz AFRSGUWOVONVQQ-OALUTQOASA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)CC[N@@H+]1C ZINC001089643058 1360556355 /nfs/dbraw/zinc/55/63/55/1360556355.db2.gz RJSLNOGXSPVHEK-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723853 1360627423 /nfs/dbraw/zinc/62/74/23/1360627423.db2.gz PAWABBHSJITFSB-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCCC2)C1 ZINC001089732100 1360635611 /nfs/dbraw/zinc/63/56/11/1360635611.db2.gz MCHZOYGUYIUGJU-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089734183 1360638370 /nfs/dbraw/zinc/63/83/70/1360638370.db2.gz LDPZLVMTZTZSEJ-RBUKOAKNSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091026570 1360982096 /nfs/dbraw/zinc/98/20/96/1360982096.db2.gz RCIJUCAMSHNHIU-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001091037016 1360983486 /nfs/dbraw/zinc/98/34/86/1360983486.db2.gz CJAYONJXIDQWKK-SGZDXZSOSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C[NH2+]CCC1CCCC1 ZINC001184566089 1387494437 /nfs/dbraw/zinc/49/44/37/1387494437.db2.gz OHIWFNPULKRYPG-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092658523 1361434025 /nfs/dbraw/zinc/43/40/25/1361434025.db2.gz YKNOXAUSGOCRLU-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092829850 1361465143 /nfs/dbraw/zinc/46/51/43/1361465143.db2.gz JOQYOGMWWCFQPW-CRAIPNDOSA-N 2 0 342.487 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093808300 1361699923 /nfs/dbraw/zinc/69/99/23/1361699923.db2.gz NPTHVJJNOIWYSZ-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001094159395 1361749262 /nfs/dbraw/zinc/74/92/62/1361749262.db2.gz KXADJDGMMOJJJT-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094497230 1361830768 /nfs/dbraw/zinc/83/07/68/1361830768.db2.gz PLPVDQUEPSWLAP-SFHLNBCPSA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094551800 1361855407 /nfs/dbraw/zinc/85/54/07/1361855407.db2.gz OGVJZRCDERPUBT-TZIWHRDSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094950975 1361958305 /nfs/dbraw/zinc/95/83/05/1361958305.db2.gz XZMUKBAFWJIFDH-LNLFQRSKSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095407445 1362130394 /nfs/dbraw/zinc/13/03/94/1362130394.db2.gz ZTFQAQLWDJRGJY-VSZNYVQBSA-N 2 0 335.536 3.017 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001095668409 1362198782 /nfs/dbraw/zinc/19/87/82/1362198782.db2.gz OMGIWFMXAJJIHU-FUMNGEBKSA-N 2 0 347.547 3.019 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC1 ZINC001096103970 1362384300 /nfs/dbraw/zinc/38/43/00/1362384300.db2.gz BBWHMVACBXOPCK-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001096610723 1362595881 /nfs/dbraw/zinc/59/58/81/1362595881.db2.gz CHVDYNFLDDWRDR-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@H](C(=O)NC1(C)CC[NH+](Cc2cc(C)cc(C)c2)CC1)[NH+](C)C ZINC001324318662 1387590268 /nfs/dbraw/zinc/59/02/68/1387590268.db2.gz NTFGWLWWTTVXIB-LJQANCHMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063119 1362829573 /nfs/dbraw/zinc/82/95/73/1362829573.db2.gz GZUDJNWTSRMRHL-AKHDSKFASA-N 2 0 335.536 3.017 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC001324330295 1387594159 /nfs/dbraw/zinc/59/41/59/1387594159.db2.gz ZXCBOHRALUCPEN-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC001324387503 1387616822 /nfs/dbraw/zinc/61/68/22/1387616822.db2.gz BDSUQULBGABQMG-QHCPKHFHSA-N 2 0 330.497 3.118 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001098463656 1363332949 /nfs/dbraw/zinc/33/29/49/1363332949.db2.gz AJFLDDPABSIFKE-ZJPYXAASSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098827553 1363485113 /nfs/dbraw/zinc/48/51/13/1363485113.db2.gz XFIINZOXADFKQU-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106183 1363625320 /nfs/dbraw/zinc/62/53/20/1363625320.db2.gz CJXPYQMJKYAVCV-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C)[NH+](CC)CC ZINC001099230980 1363704948 /nfs/dbraw/zinc/70/49/48/1363704948.db2.gz ZMLKTMBGHPHZCI-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099235149 1363706221 /nfs/dbraw/zinc/70/62/21/1363706221.db2.gz PPLWIJWMCMDWGK-ROUUACIJSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239631 1363708356 /nfs/dbraw/zinc/70/83/56/1363708356.db2.gz HXSSCJLVXCDNOD-QGZVFWFLSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001099251379 1363714143 /nfs/dbraw/zinc/71/41/43/1363714143.db2.gz JFZAKMHRBKGZGD-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C/C=C/Cl ZINC001099310668 1363743961 /nfs/dbraw/zinc/74/39/61/1363743961.db2.gz SGLGLPBZFWWWEF-AYAUWGRQSA-N 2 0 343.943 3.078 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099335501 1363756728 /nfs/dbraw/zinc/75/67/28/1363756728.db2.gz WWJQVHNWPCLBJK-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001099340763 1363761205 /nfs/dbraw/zinc/76/12/05/1363761205.db2.gz YLWMMGXSPJFUSD-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001099340764 1363761506 /nfs/dbraw/zinc/76/15/06/1363761506.db2.gz YLWMMGXSPJFUSD-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548180 1363842082 /nfs/dbraw/zinc/84/20/82/1363842082.db2.gz QZBOQGNEWGYLCV-YRPNKDGESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001100334973 1364083016 /nfs/dbraw/zinc/08/30/16/1364083016.db2.gz DCSWMDGHDMMLJO-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100506585 1364139687 /nfs/dbraw/zinc/13/96/87/1364139687.db2.gz AZRCOEPOATWCRG-PLNGDYQASA-N 2 0 340.471 3.179 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100535987 1364150662 /nfs/dbraw/zinc/15/06/62/1364150662.db2.gz FBMOTHDWTCLOIS-SNAWJCMRSA-N 2 0 349.563 3.482 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100677032 1364214145 /nfs/dbraw/zinc/21/41/45/1364214145.db2.gz WSLGUBJHKOPIDP-IPJUCJBFSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100676971 1364214352 /nfs/dbraw/zinc/21/43/52/1364214352.db2.gz VJILJWCDXRUPFH-QHGAOEGBSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681944 1364216567 /nfs/dbraw/zinc/21/65/67/1364216567.db2.gz ZSZLRHXSPWAVCR-WWDZGPRUSA-N 2 0 339.568 3.131 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)CC1 ZINC001100732135 1364239458 /nfs/dbraw/zinc/23/94/58/1364239458.db2.gz UYQSAJIMOXRPIA-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)C(C)C ZINC001100765810 1364251703 /nfs/dbraw/zinc/25/17/03/1364251703.db2.gz BXPCNLUQRYWBBF-SOAGJPPSSA-N 2 0 345.531 3.037 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848214 1364289994 /nfs/dbraw/zinc/28/99/94/1364289994.db2.gz CDMKWFWMPJBITQ-ZGTNPYQDSA-N 2 0 349.563 3.482 20 0 EGADRP C[C@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001100887671 1364312841 /nfs/dbraw/zinc/31/28/41/1364312841.db2.gz MUOYMUCXIBUCPP-LYGPFTKASA-N 2 0 349.494 3.103 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001101028030 1364380970 /nfs/dbraw/zinc/38/09/70/1364380970.db2.gz WXCJQRQNKXKQLT-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040555 1364821063 /nfs/dbraw/zinc/82/10/63/1364821063.db2.gz NKEXOCDNDJOYHF-VMASUYHGSA-N 2 0 349.563 3.005 20 0 EGADRP CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102112704 1364864423 /nfs/dbraw/zinc/86/44/23/1364864423.db2.gz CHLOIYXCGSBXMQ-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001102264691 1364976266 /nfs/dbraw/zinc/97/62/66/1364976266.db2.gz WAHKQQADKLCZDU-IVCWSTDESA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375659 1365029323 /nfs/dbraw/zinc/02/93/23/1365029323.db2.gz VUICTOQFWRSNBW-MHEJJFAZSA-N 2 0 337.552 3.005 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102525597 1365099626 /nfs/dbraw/zinc/09/96/26/1365099626.db2.gz KKLMSWIZWFAIMS-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001102599567 1365131707 /nfs/dbraw/zinc/13/17/07/1365131707.db2.gz LTUIPNUUIFIIKG-IEBWSBKVSA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001324661722 1387722528 /nfs/dbraw/zinc/72/25/28/1387722528.db2.gz OWROZVAGXIXBDS-AZUAARDMSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001103111743 1365386978 /nfs/dbraw/zinc/38/69/78/1365386978.db2.gz MHQGBOJJNAFJMX-KURKYZTESA-N 2 0 339.568 3.083 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103136770 1365401669 /nfs/dbraw/zinc/40/16/69/1365401669.db2.gz QXJNRMMJYMWUAZ-RTBURBONSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185527106 1387739766 /nfs/dbraw/zinc/73/97/66/1387739766.db2.gz PJOHVTHBHUXMOP-FNYRVFDFSA-N 2 0 337.552 3.149 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001103156668 1365414348 /nfs/dbraw/zinc/41/43/48/1365414348.db2.gz QBBWOSVGSQTDRR-IEBWSBKVSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373513 1365523274 /nfs/dbraw/zinc/52/32/74/1365523274.db2.gz VUXKMTVEHCUBIP-BRWVUGGUSA-N 2 0 349.519 3.075 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379024 1365525515 /nfs/dbraw/zinc/52/55/15/1365525515.db2.gz WMOJUUGABUCHDB-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001103495446 1365597249 /nfs/dbraw/zinc/59/72/49/1365597249.db2.gz CQPALBVMIWFMIB-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497752 1365597790 /nfs/dbraw/zinc/59/77/90/1365597790.db2.gz XKDFYTKAQIXZIK-YHTLKTDXSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)[NH+](CC)CC ZINC001185609179 1387760384 /nfs/dbraw/zinc/76/03/84/1387760384.db2.gz FGUBNQNNHHPWSU-JHRJRCTKSA-N 2 0 343.515 3.011 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104312617 1365979570 /nfs/dbraw/zinc/97/95/70/1365979570.db2.gz KJWQSMCYIGJXFP-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104319290 1365979676 /nfs/dbraw/zinc/97/96/76/1365979676.db2.gz MERIAXQUELLWLB-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)CC(C)(C)C ZINC001185723567 1387785270 /nfs/dbraw/zinc/78/52/70/1387785270.db2.gz NXGKFSRMNGHZBX-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C[NH2+]CC1CCCC1 ZINC001185740684 1387787154 /nfs/dbraw/zinc/78/71/54/1387787154.db2.gz DJEXSBKFKXNTIG-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104753631 1366157212 /nfs/dbraw/zinc/15/72/12/1366157212.db2.gz LFNULEVNXQGKIM-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001104796832 1366176866 /nfs/dbraw/zinc/17/68/66/1366176866.db2.gz YHBNNBWGJMEJJP-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1CC[NH2+]CCC1CC1 ZINC001105025200 1366283539 /nfs/dbraw/zinc/28/35/39/1366283539.db2.gz PNTKJJRCSRHMON-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@H]2[NH+](CC(C)C)CC23CCC3)CC1 ZINC001105396481 1366445227 /nfs/dbraw/zinc/44/52/27/1366445227.db2.gz MTUHHFFDVMDVCF-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518513 1366505794 /nfs/dbraw/zinc/50/57/94/1366505794.db2.gz ZZTPOOCQUHXGQO-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105558687 1366530006 /nfs/dbraw/zinc/53/00/06/1366530006.db2.gz DCPAVXOAMFZXDR-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001105568011 1366535733 /nfs/dbraw/zinc/53/57/33/1366535733.db2.gz CXIFORWYZWLWIR-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576609 1366540904 /nfs/dbraw/zinc/54/09/04/1366540904.db2.gz JDQVEICJGURWMT-MOPGFXCFSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001106626837 1366758845 /nfs/dbraw/zinc/75/88/45/1366758845.db2.gz NMGKNLITDLESRH-CEXWTWQISA-N 2 0 345.531 3.000 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673470 1366770536 /nfs/dbraw/zinc/77/05/36/1366770536.db2.gz ZUFOQXOFJBGLFU-QZTJIDSGSA-N 2 0 339.568 3.085 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106730917 1366782863 /nfs/dbraw/zinc/78/28/63/1366782863.db2.gz WUTYDYKIWFBZQB-YKMDAGRBSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106860048 1366818503 /nfs/dbraw/zinc/81/85/03/1366818503.db2.gz GNXWUQBBIRDTQG-AQNXPRMDSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001106865395 1366819974 /nfs/dbraw/zinc/81/99/74/1366819974.db2.gz JXZLJOAYMJCVKP-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106910563 1366830659 /nfs/dbraw/zinc/83/06/59/1366830659.db2.gz DMWOPTMXMJVACT-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107033784 1366861902 /nfs/dbraw/zinc/86/19/02/1366861902.db2.gz ALCPCJRFDVOTKL-YQVWRLOYSA-N 2 0 345.531 3.092 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001107442675 1366964992 /nfs/dbraw/zinc/96/49/92/1366964992.db2.gz JHBPSRQDKDMLCO-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CC2CCCCCC2)C1 ZINC001324947139 1387843611 /nfs/dbraw/zinc/84/36/11/1387843611.db2.gz GYKMAIMPBZJPER-CTNGQTDRSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)[NH+]1CCCC1 ZINC001107495041 1366994545 /nfs/dbraw/zinc/99/45/45/1366994545.db2.gz HPTVMXCQPVHXPZ-WIYYLYMNSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCCC1)CC2 ZINC001107530630 1367022683 /nfs/dbraw/zinc/02/26/83/1367022683.db2.gz DCJSESVZKFGQKD-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609088 1367070495 /nfs/dbraw/zinc/07/04/95/1367070495.db2.gz CBIYNAZVJSYSQN-QKNQBKEWSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001107615700 1367074601 /nfs/dbraw/zinc/07/46/01/1367074601.db2.gz JFSMUBNAAPFQFR-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107615689 1367074836 /nfs/dbraw/zinc/07/48/36/1367074836.db2.gz IKCKWCLYYASJLA-RTVDBWQISA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001107617842 1367075778 /nfs/dbraw/zinc/07/57/78/1367075778.db2.gz QWKZOYHDHDBCPL-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646586 1367091981 /nfs/dbraw/zinc/09/19/81/1367091981.db2.gz LSPSMIAWKYFBJJ-UYAOXDASSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399855 1367104083 /nfs/dbraw/zinc/10/40/83/1367104083.db2.gz ZMAQAPRFWAKRRK-MIIYPZDFSA-N 2 0 347.547 3.327 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419299 1367113262 /nfs/dbraw/zinc/11/32/62/1367113262.db2.gz NGAXGUWBEPPGHJ-CKZPPYNSSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190084472 1367168582 /nfs/dbraw/zinc/16/85/82/1367168582.db2.gz NWDBJGXQSKTQRS-ROUUACIJSA-N 2 0 337.552 3.218 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555087 1367194869 /nfs/dbraw/zinc/19/48/69/1367194869.db2.gz GYCWVXVJRKBMCY-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001186074881 1387859318 /nfs/dbraw/zinc/85/93/18/1387859318.db2.gz JVMYVXKDGCFKPF-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190442785 1367266072 /nfs/dbraw/zinc/26/60/72/1367266072.db2.gz BHXHZPQMPXJJAL-GOEBONIOSA-N 2 0 337.533 3.002 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190443160 1367267211 /nfs/dbraw/zinc/26/72/11/1367267211.db2.gz FITHUFZPVQGFFT-SJORKVTESA-N 2 0 343.531 3.025 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655568 1367318330 /nfs/dbraw/zinc/31/83/30/1367318330.db2.gz QJINVSDNPAXHTL-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655572 1367318937 /nfs/dbraw/zinc/31/89/37/1367318937.db2.gz QJINVSDNPAXHTL-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190657062 1367320193 /nfs/dbraw/zinc/32/01/93/1367320193.db2.gz YHBNMJYWGZKIQM-UHDDOPSISA-N 2 0 347.547 3.282 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001190997120 1367397999 /nfs/dbraw/zinc/39/79/99/1367397999.db2.gz QZSWHINDFPPEAD-WMZOPIPTSA-N 2 0 331.504 3.011 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191049919 1367410340 /nfs/dbraw/zinc/41/03/40/1367410340.db2.gz CUUSMCUIUNMQKJ-IBGZPJMESA-N 2 0 346.519 3.021 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162277 1367436744 /nfs/dbraw/zinc/43/67/44/1367436744.db2.gz NZNWOFRIQNTBDV-KRWDZBQOSA-N 2 0 328.460 3.061 20 0 EGADRP CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001191257017 1367460948 /nfs/dbraw/zinc/46/09/48/1367460948.db2.gz HWXAVCKPXPLNDC-AZUAARDMSA-N 2 0 345.531 3.400 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115324 1367507808 /nfs/dbraw/zinc/50/78/08/1367507808.db2.gz SUKGGPIONFXEEU-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148182 1367526133 /nfs/dbraw/zinc/52/61/33/1367526133.db2.gz MUSOBRRJWVDMAZ-HILSMNSFSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153793 1367527847 /nfs/dbraw/zinc/52/78/47/1367527847.db2.gz LJPOFSRQFNZXBR-SQNIBIBYSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108687301 1367532993 /nfs/dbraw/zinc/53/29/93/1367532993.db2.gz CLOUDNOYGVHSML-OTWHNJEPSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733944 1367565632 /nfs/dbraw/zinc/56/56/32/1367565632.db2.gz LTQAAFXCIMMTKE-LNLFQRSKSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738585 1367566873 /nfs/dbraw/zinc/56/68/73/1367566873.db2.gz AMAMXODKUABTFR-OTWHNJEPSA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001108754911 1367576034 /nfs/dbraw/zinc/57/60/34/1367576034.db2.gz QJIYVLRKWJVCKX-GOQCTXLLSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108800707 1367603971 /nfs/dbraw/zinc/60/39/71/1367603971.db2.gz LNNGBCSZWJPZDT-OISZBXDOSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001108830555 1367623778 /nfs/dbraw/zinc/62/37/78/1367623778.db2.gz PMHDODFQJREFCF-WDSOQIARSA-N 2 0 343.515 3.131 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828707 1367623828 /nfs/dbraw/zinc/62/38/28/1367623828.db2.gz YOPRIZHEDLSDHD-WKAYRIQESA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834584 1367627137 /nfs/dbraw/zinc/62/71/37/1367627137.db2.gz UVEURPJBSMBKHC-OTWHNJEPSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001192048206 1367673745 /nfs/dbraw/zinc/67/37/45/1367673745.db2.gz XIMLDVAKKHFFSJ-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC2(CC(=O)OC)CC2)CC1)CC1CC1 ZINC001192500586 1367797477 /nfs/dbraw/zinc/79/74/77/1367797477.db2.gz JEHPHLWGCJHNRT-UHFFFAOYSA-N 2 0 336.520 3.164 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001192656406 1367844154 /nfs/dbraw/zinc/84/41/54/1367844154.db2.gz RZZTZJAZQFSNQW-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846267 1367886819 /nfs/dbraw/zinc/88/68/19/1367886819.db2.gz LBERMXIXCUFXRT-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192907275 1367901690 /nfs/dbraw/zinc/90/16/90/1367901690.db2.gz VGCFKWAQOYJDOC-SFHVURJKSA-N 2 0 339.568 3.467 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1)C(C)C ZINC001192918162 1367904818 /nfs/dbraw/zinc/90/48/18/1367904818.db2.gz XZSRMAWTBZHCFI-MOPGFXCFSA-N 2 0 339.568 3.322 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684517 1367926032 /nfs/dbraw/zinc/92/60/32/1367926032.db2.gz NGAXGUWBEPPGHJ-BWGAQWGUSA-N 2 0 347.547 3.329 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001110684799 1367926431 /nfs/dbraw/zinc/92/64/31/1367926431.db2.gz ZIEGHHTXOOPSHP-MLHJIOFPSA-N 2 0 335.536 3.019 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1 ZINC001193389699 1368017195 /nfs/dbraw/zinc/01/71/95/1368017195.db2.gz GMNYMBQVEWJAJN-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)C/C=C\Cl)C1 ZINC001193425284 1368026556 /nfs/dbraw/zinc/02/65/56/1368026556.db2.gz UXKUIHXRLNBFDJ-JEZWAEDTSA-N 2 0 343.943 3.174 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885985 1368059232 /nfs/dbraw/zinc/05/92/32/1368059232.db2.gz GVCJDYPOUCPJHP-MANSERQUSA-N 2 0 349.563 3.265 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560819 1368062167 /nfs/dbraw/zinc/06/21/67/1368062167.db2.gz VHGRLZVMBSDNDL-ICSRJNTNSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001193600798 1368070568 /nfs/dbraw/zinc/07/05/68/1368070568.db2.gz LXQJDOZNUKGVNN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193609782 1368073249 /nfs/dbraw/zinc/07/32/49/1368073249.db2.gz IVKFZNHWAIOYIP-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193610455 1368074114 /nfs/dbraw/zinc/07/41/14/1368074114.db2.gz PHYXYTPLDWPAOR-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](CC)c2ccc(F)cc2)C1 ZINC001193639557 1368081647 /nfs/dbraw/zinc/08/16/47/1368081647.db2.gz AUENHYCFFBQOKX-RTBURBONSA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001110960459 1368125197 /nfs/dbraw/zinc/12/51/97/1368125197.db2.gz DQNOZTRYAPTZAN-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111030851 1368147194 /nfs/dbraw/zinc/14/71/94/1368147194.db2.gz HKYRABCHGZLKOE-KURKYZTESA-N 2 0 337.552 3.122 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080402 1368179461 /nfs/dbraw/zinc/17/94/61/1368179461.db2.gz JXZGSKBNNJMSKF-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180958 1368182504 /nfs/dbraw/zinc/18/25/04/1368182504.db2.gz WYEKZWVWLLQVRV-WTGUMLROSA-N 2 0 349.563 3.122 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227304 1368212618 /nfs/dbraw/zinc/21/26/18/1368212618.db2.gz JSQJKOVQCCMOHZ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245442 1368216310 /nfs/dbraw/zinc/21/63/10/1368216310.db2.gz AIXWLZIWIBTZCA-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429461 1368259468 /nfs/dbraw/zinc/25/94/68/1368259468.db2.gz JFPMSHGWOVNCBZ-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430062 1368260500 /nfs/dbraw/zinc/26/05/00/1368260500.db2.gz RCVJKWDLBHIJSA-VZSQWMKGSA-N 2 0 335.536 3.142 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201048 1368566658 /nfs/dbraw/zinc/56/66/58/1368566658.db2.gz SWVYUCSGCCVYQB-SFFCAUCYSA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[NH+](CCCC(C)C)CC2)C1 ZINC001196890596 1368708440 /nfs/dbraw/zinc/70/84/40/1368708440.db2.gz RWQPNYXLPRYIDP-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001197043153 1368734719 /nfs/dbraw/zinc/73/47/19/1368734719.db2.gz CCMSCUDOHBFFLS-SFHVURJKSA-N 2 0 345.531 3.357 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](CCC2CCCC2)CC1)[NH+](CC)CC ZINC001197141095 1368753504 /nfs/dbraw/zinc/75/35/04/1368753504.db2.gz BCLOLCVTMBMBAN-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](CCC(C)(C)C)CC1 ZINC001197478073 1368822912 /nfs/dbraw/zinc/82/29/12/1368822912.db2.gz TXRYJGCDORZRMA-UHFFFAOYSA-N 2 0 339.568 3.469 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112437097 1368852523 /nfs/dbraw/zinc/85/25/23/1368852523.db2.gz XKRSERWNFDJRAM-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112518804 1368911188 /nfs/dbraw/zinc/91/11/88/1368911188.db2.gz DGRZVNQLIFGDII-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001112528763 1368915162 /nfs/dbraw/zinc/91/51/62/1368915162.db2.gz PMARXWYVPOJCAA-BJLQDIEVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2c(C)cccc2C)CC1 ZINC001197907991 1368923123 /nfs/dbraw/zinc/92/31/23/1368923123.db2.gz ODMISHSDUSFXRA-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001198277626 1368995900 /nfs/dbraw/zinc/99/59/00/1368995900.db2.gz FAXMRABWVBAVDE-LJQANCHMSA-N 2 0 330.472 3.058 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001198363676 1369015672 /nfs/dbraw/zinc/01/56/72/1369015672.db2.gz HANHZEMPQLWDHP-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966463 1369113271 /nfs/dbraw/zinc/11/32/71/1369113271.db2.gz ZUIFNOIKFBCLIV-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001186605306 1387983927 /nfs/dbraw/zinc/98/39/27/1387983927.db2.gz NNZPJSIVQBQGRO-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](CCC)CC2)CC1 ZINC001186605215 1387984305 /nfs/dbraw/zinc/98/43/05/1387984305.db2.gz LVBUDBCSOAOLRZ-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)[NH+](CC)CC ZINC001113341410 1369358834 /nfs/dbraw/zinc/35/88/34/1369358834.db2.gz WFAJYGFMTJRUFA-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)CC[N@@H+]1C ZINC001200644782 1369404760 /nfs/dbraw/zinc/40/47/60/1369404760.db2.gz QYEUGIPVEYXTPA-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC001200838552 1369437217 /nfs/dbraw/zinc/43/72/17/1369437217.db2.gz UHOBWOCJWWEEHU-BVYCBKJFSA-N 2 0 341.543 3.361 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201043308 1369469984 /nfs/dbraw/zinc/46/99/84/1369469984.db2.gz BLLFSANFUDRXLJ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052025 1369472335 /nfs/dbraw/zinc/47/23/35/1369472335.db2.gz DFABUAWNUQRFPM-LJQANCHMSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](C[C@@H](C)CC)CC1 ZINC001113528657 1369479057 /nfs/dbraw/zinc/47/90/57/1369479057.db2.gz KOEWNCDDADOCHX-SFHVURJKSA-N 2 0 325.541 3.079 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001201229896 1369500139 /nfs/dbraw/zinc/50/01/39/1369500139.db2.gz HNTSEZDECGBOIB-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201239773 1369502419 /nfs/dbraw/zinc/50/24/19/1369502419.db2.gz MRJBFSZOHCSZLI-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001201313762 1369516327 /nfs/dbraw/zinc/51/63/27/1369516327.db2.gz HBQPEZAVPYKIRZ-MRXNPFEDSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[C@@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201544632 1369569862 /nfs/dbraw/zinc/56/98/62/1369569862.db2.gz RLCKLHZZNWQIRJ-PBASOCQRSA-N 2 0 344.547 3.494 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[NH+](CCCC2CCCC2)CC1 ZINC001113722876 1369586748 /nfs/dbraw/zinc/58/67/48/1369586748.db2.gz FUJROKCKQQABBL-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc4cc(O)ccc43)cc[nH+]2)CC1 ZINC001201667936 1369601128 /nfs/dbraw/zinc/60/11/28/1369601128.db2.gz MZZCNKCDQDZEMT-UHFFFAOYSA-N 2 0 334.423 3.436 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001201749841 1369616674 /nfs/dbraw/zinc/61/66/74/1369616674.db2.gz CPGXHQFMDSQTBS-QYZOEREBSA-N 2 0 333.524 3.032 20 0 EGADRP C[N@H+](CCC(=O)N1CCC([NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001201818976 1369629156 /nfs/dbraw/zinc/62/91/56/1369629156.db2.gz XYFLPSFQSCVJME-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001202239032 1369720990 /nfs/dbraw/zinc/72/09/90/1369720990.db2.gz PHNBELFCUJLTJX-IZZDOVSWSA-N 2 0 343.515 3.012 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001202526799 1369799876 /nfs/dbraw/zinc/79/98/76/1369799876.db2.gz PRWRRDHYMATNLH-CMDGGOBGSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202862867 1369911158 /nfs/dbraw/zinc/91/11/58/1369911158.db2.gz HHYHFQJKUANGDD-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930255 1369929150 /nfs/dbraw/zinc/92/91/50/1369929150.db2.gz SLCZMSFRVJOQTN-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114403119 1369933649 /nfs/dbraw/zinc/93/36/49/1369933649.db2.gz NGMWCCOFBOMEPQ-FGYNVTLCSA-N 2 0 347.547 3.042 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)C(C)C ZINC001202990782 1369947914 /nfs/dbraw/zinc/94/79/14/1369947914.db2.gz DFNJUFNXHRFFPW-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP c1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc2c1CCC2 ZINC001203019366 1369955725 /nfs/dbraw/zinc/95/57/25/1369955725.db2.gz NZZZCQNLIWRLGP-UHFFFAOYSA-N 2 0 342.527 3.500 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2)C1CCC1 ZINC001203044558 1369965143 /nfs/dbraw/zinc/96/51/43/1369965143.db2.gz MHCXGGAFSXZOJO-MOPGFXCFSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203252008 1370041533 /nfs/dbraw/zinc/04/15/33/1370041533.db2.gz YYKREWYCJBMMSZ-SJORKVTESA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313481 1370078079 /nfs/dbraw/zinc/07/80/79/1370078079.db2.gz RMXWWIWFAVMCGD-FXAWDEMLSA-N 2 0 345.531 3.306 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203323437 1370082384 /nfs/dbraw/zinc/08/23/84/1370082384.db2.gz DGHGCBGCGCMNRT-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203324351 1370082671 /nfs/dbraw/zinc/08/26/71/1370082671.db2.gz HGPAUOOGGFKGKV-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330622 1370084542 /nfs/dbraw/zinc/08/45/42/1370084542.db2.gz MLGSNCFWGLHIFR-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330816 1370084906 /nfs/dbraw/zinc/08/49/06/1370084906.db2.gz UFEVPEJONSHFPN-PVTFFILZSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001203357638 1370096314 /nfs/dbraw/zinc/09/63/14/1370096314.db2.gz MDFBLBJREFUALB-VQIMIIECSA-N 2 0 334.467 3.421 20 0 EGADRP C[C@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001203393470 1370110161 /nfs/dbraw/zinc/11/01/61/1370110161.db2.gz LZABRBVBXFGPAC-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203460302 1370134153 /nfs/dbraw/zinc/13/41/53/1370134153.db2.gz ATFVTHIJNBHCRA-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203462546 1370134886 /nfs/dbraw/zinc/13/48/86/1370134886.db2.gz ODKDGDYNYJOHBZ-HKVCONOFSA-N 2 0 347.547 3.092 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203524621 1370155255 /nfs/dbraw/zinc/15/52/55/1370155255.db2.gz XUFMJUQETIPNBZ-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203539567 1370161448 /nfs/dbraw/zinc/16/14/48/1370161448.db2.gz OLIZRZJCNCIKMI-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203633045 1370194570 /nfs/dbraw/zinc/19/45/70/1370194570.db2.gz VZGUNOCGSGLNMP-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641171 1370198065 /nfs/dbraw/zinc/19/80/65/1370198065.db2.gz ORXBLIXZWVRBHL-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203652552 1370202458 /nfs/dbraw/zinc/20/24/58/1370202458.db2.gz VOFPNYZEOXSJHP-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@H]3C2)cn1 ZINC001203800877 1370270867 /nfs/dbraw/zinc/27/08/67/1370270867.db2.gz YBLVAJNNYAKLIC-QZTJIDSGSA-N 2 0 344.890 3.027 20 0 EGADRP Clc1ccc(CN2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001203920125 1370315001 /nfs/dbraw/zinc/31/50/01/1370315001.db2.gz VEXUQWWRFSUEBZ-UHFFFAOYSA-N 2 0 344.890 3.191 20 0 EGADRP c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ncc[nH]2)CC3)c1 ZINC001203975549 1370337895 /nfs/dbraw/zinc/33/78/95/1370337895.db2.gz YUAZSFDTRDPBKV-UHFFFAOYSA-N 2 0 330.501 3.349 20 0 EGADRP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC001204235774 1370418079 /nfs/dbraw/zinc/41/80/79/1370418079.db2.gz CVCZXRUVRYBTRV-UHFFFAOYSA-N 2 0 337.895 3.332 20 0 EGADRP CCCCCOc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC001204314297 1370440725 /nfs/dbraw/zinc/44/07/25/1370440725.db2.gz DTJNAUHFBLVBDO-UHFFFAOYSA-N 2 0 335.536 3.181 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1C ZINC001204352452 1370451031 /nfs/dbraw/zinc/45/10/31/1370451031.db2.gz RXEQUMSQRYZBMU-FGZHOGPDSA-N 2 0 342.527 3.484 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001204521513 1370502192 /nfs/dbraw/zinc/50/21/92/1370502192.db2.gz GLCBHKBQLHIEOA-UHFFFAOYSA-N 2 0 338.499 3.154 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540397 1370537440 /nfs/dbraw/zinc/53/74/40/1370537440.db2.gz IXHAGRTWILOVOY-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115572003 1370574309 /nfs/dbraw/zinc/57/43/09/1370574309.db2.gz XXKVULJAXKUFIQ-WAYWQWQTSA-N 2 0 335.536 3.236 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1)C1CC1 ZINC001115573394 1370575605 /nfs/dbraw/zinc/57/56/05/1370575605.db2.gz PZXMWZVKHNUXDD-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001115591762 1370592773 /nfs/dbraw/zinc/59/27/73/1370592773.db2.gz CVKYECGWRUNCIL-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCCC1 ZINC001115610064 1370609217 /nfs/dbraw/zinc/60/92/17/1370609217.db2.gz WXOVIHWZLPLAQO-UHFFFAOYSA-N 2 0 342.487 3.465 20 0 EGADRP CC(C)Oc1ccc(Br)cc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136273 1370660233 /nfs/dbraw/zinc/66/02/33/1370660233.db2.gz UEPCVFFRYCQQMD-GXTWGEPZSA-N 2 0 341.293 3.263 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688362 1370671650 /nfs/dbraw/zinc/67/16/50/1370671650.db2.gz ZBQFLPWGXXIHDA-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)c2occc2C[NH+](C)C)CCCCC1 ZINC001115696296 1370677542 /nfs/dbraw/zinc/67/75/42/1370677542.db2.gz OIGRFGBDSISJMK-INIZCTEOSA-N 2 0 349.519 3.410 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)CC1 ZINC001115708246 1370687577 /nfs/dbraw/zinc/68/75/77/1370687577.db2.gz WLNZJLBJGQGXCF-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCCC2)c1 ZINC001115708161 1370687775 /nfs/dbraw/zinc/68/77/75/1370687775.db2.gz RIUYSGIBGHOTTB-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c(F)cccc2Oc2ccccc2)CC1 ZINC001205241218 1370692041 /nfs/dbraw/zinc/69/20/41/1370692041.db2.gz RTFFZJUYDUAJQQ-HXUWFJFHSA-N 2 0 344.430 3.294 20 0 EGADRP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)cn2)c1C ZINC001205248388 1370694389 /nfs/dbraw/zinc/69/43/89/1370694389.db2.gz OXOBGQNXIDAMLC-OAQYLSRUSA-N 2 0 339.483 3.041 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCC[C@@](C)([NH3+])CC3)n2)cc1 ZINC001205273693 1370703406 /nfs/dbraw/zinc/70/34/06/1370703406.db2.gz OSFORJSIFGLGFY-HXUWFJFHSA-N 2 0 325.456 3.461 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCC[C@@](C)([NH3+])CC3)c[nH]c2c1 ZINC001205296855 1370711029 /nfs/dbraw/zinc/71/10/29/1370711029.db2.gz VDFBNGRDQVMNFN-LJQANCHMSA-N 2 0 329.444 3.048 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115730252 1370713393 /nfs/dbraw/zinc/71/33/93/1370713393.db2.gz GVLVTFFBHRBEES-MJGOQNOKSA-N 2 0 349.563 3.173 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC1CCCC1 ZINC001205303447 1370713655 /nfs/dbraw/zinc/71/36/55/1370713655.db2.gz FSKXOBMBYQZFEG-WBVHZDCISA-N 2 0 332.488 3.433 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C[C@@H]1C[NH3+] ZINC001205303972 1370714445 /nfs/dbraw/zinc/71/44/45/1370714445.db2.gz MAZNXFOTWHLVCH-AAEUAGOBSA-N 2 0 336.277 3.347 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205317716 1370720135 /nfs/dbraw/zinc/72/01/35/1370720135.db2.gz PPYUFQJOFHTQEP-PBHICJAKSA-N 2 0 329.488 3.329 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001187299278 1388091090 /nfs/dbraw/zinc/09/10/90/1388091090.db2.gz YXNLNLQZXYFIMA-HXUWFJFHSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001187298485 1388091119 /nfs/dbraw/zinc/09/11/19/1388091119.db2.gz GBQJHKOLTYORPQ-RVPHRTOXSA-N 2 0 343.515 3.012 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001115768845 1370753204 /nfs/dbraw/zinc/75/32/04/1370753204.db2.gz JXFOLRLVXCBTCX-OALUTQOASA-N 2 0 347.547 3.212 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CC3CCCC3)CCCCC2)CC1 ZINC001115787236 1370769941 /nfs/dbraw/zinc/76/99/41/1370769941.db2.gz QNQIWAIQZPKMJX-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518779 1370778369 /nfs/dbraw/zinc/77/83/69/1370778369.db2.gz KNYJHQCHATWBCE-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205519070 1370778461 /nfs/dbraw/zinc/77/84/61/1370778461.db2.gz UIXODRSGJGRNNU-LOKQZNEXSA-N 2 0 347.547 3.188 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)no2)cc1 ZINC001205546022 1370787733 /nfs/dbraw/zinc/78/77/33/1370787733.db2.gz OZCFQMYDBNRSLZ-SFHVURJKSA-N 2 0 333.407 3.003 20 0 EGADRP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1OC(=O)C(C)C ZINC001205627391 1370817492 /nfs/dbraw/zinc/81/74/92/1370817492.db2.gz PCBRJOCHVABUNH-RDJZCZTQSA-N 2 0 348.487 3.063 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205635423 1370820686 /nfs/dbraw/zinc/82/06/86/1370820686.db2.gz AIDHXBYJNBACNR-KGLIPLIRSA-N 2 0 325.884 3.329 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205635422 1370820812 /nfs/dbraw/zinc/82/08/12/1370820812.db2.gz AIDHXBYJNBACNR-KBPBESRZSA-N 2 0 325.884 3.329 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205767542 1370864997 /nfs/dbraw/zinc/86/49/97/1370864997.db2.gz DUOKUSKSRMEEIB-WAYWQWQTSA-N 2 0 349.563 3.435 20 0 EGADRP COc1ccc(-c2cccc(CN3CCC(F)(F)[C@H](C[NH3+])C3)n2)cc1 ZINC001205781728 1370867850 /nfs/dbraw/zinc/86/78/50/1370867850.db2.gz YGZOHKWQOSKZFV-OAHLLOKOSA-N 2 0 347.409 3.173 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001116445539 1370913694 /nfs/dbraw/zinc/91/36/94/1370913694.db2.gz UDFYGJNLHZTJQC-PZJWPPBQSA-N 2 0 344.499 3.162 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001116449760 1370915332 /nfs/dbraw/zinc/91/53/32/1370915332.db2.gz STGXWKVDMYBMEB-DLBZAZTESA-N 2 0 348.560 3.358 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206004685 1370935725 /nfs/dbraw/zinc/93/57/25/1370935725.db2.gz ULMKGEXPZQDMGS-OLZOCXBDSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c(Br)ccc(O)c2F)CCC[C@H]1C[NH3+] ZINC001206025678 1370942321 /nfs/dbraw/zinc/94/23/21/1370942321.db2.gz OXYJJAMLSPKWRO-MNOVXSKESA-N 2 0 345.256 3.101 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206031210 1370944281 /nfs/dbraw/zinc/94/42/81/1370944281.db2.gz QAIVPKWGFRXGCB-AQIYZVDXSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)Cc1ccc([C@@H](C[NH2+]CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC001206136956 1370968310 /nfs/dbraw/zinc/96/83/10/1370968310.db2.gz VSLITSAWMMYOKA-OAQYLSRUSA-N 2 0 331.548 3.419 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001206297640 1371015203 /nfs/dbraw/zinc/01/52/03/1371015203.db2.gz ZBNCWKZFBNOAAZ-RTWAWAEBSA-N 2 0 329.532 3.492 20 0 EGADRP Cc1cnc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206311781 1371017661 /nfs/dbraw/zinc/01/76/61/1371017661.db2.gz UWRSTGDGPOJNDY-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(CN3CCCC[C@@](F)(C[NH3+])C3)cc21 ZINC001206370241 1371035820 /nfs/dbraw/zinc/03/58/20/1371035820.db2.gz MMMSVTARAFPMDX-HXUWFJFHSA-N 2 0 331.479 3.341 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481778 1371068754 /nfs/dbraw/zinc/06/87/54/1371068754.db2.gz KXJXNYXGGBORTL-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](Cc1cc(-c2ccccc2)nn1C)[C@@H]1CCC[NH2+]CC1 ZINC001206589386 1371102119 /nfs/dbraw/zinc/10/21/19/1371102119.db2.gz GRKIAJBARVJEKM-GOSISDBHSA-N 2 0 326.488 3.440 20 0 EGADRP CC(C)[N@H+](Cc1ccc(-c2ccn(C)n2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206607178 1371107725 /nfs/dbraw/zinc/10/77/25/1371107725.db2.gz XABUAGOCGMAQOR-LJQANCHMSA-N 2 0 326.488 3.440 20 0 EGADRP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001206721410 1371144733 /nfs/dbraw/zinc/14/47/33/1371144733.db2.gz AXHQMQAVISSYFS-GOSISDBHSA-N 2 0 336.479 3.466 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(C)n1 ZINC001206755369 1371154758 /nfs/dbraw/zinc/15/47/58/1371154758.db2.gz FAZWDZBCKNYONR-UHFFFAOYSA-N 2 0 339.483 3.281 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)n2)cc1 ZINC001206770090 1371159720 /nfs/dbraw/zinc/15/97/20/1371159720.db2.gz QPXBJSZWGHAOET-HOTGVXAUSA-N 2 0 325.456 3.316 20 0 EGADRP Fc1cnccc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001206786278 1371166115 /nfs/dbraw/zinc/16/61/15/1371166115.db2.gz KKDFJJKBVCXAJM-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP Cc1ncc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)n1C ZINC001206793481 1371169248 /nfs/dbraw/zinc/16/92/48/1371169248.db2.gz YMRPTBYCMGTQFR-LJQANCHMSA-N 2 0 342.487 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001206794077 1371169598 /nfs/dbraw/zinc/16/95/98/1371169598.db2.gz HZHRDJWJEXYLOG-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCCCC3)C2)[C@@H](n2cncn2)C1 ZINC001118493246 1371189301 /nfs/dbraw/zinc/18/93/01/1371189301.db2.gz RKSLBEVVWWNTNP-NEPXVJNWSA-N 2 0 331.508 3.004 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001206872956 1371199262 /nfs/dbraw/zinc/19/92/62/1371199262.db2.gz ZSOWODIXTVRWAB-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001206889445 1371209485 /nfs/dbraw/zinc/20/94/85/1371209485.db2.gz RPCREOVLUIUFCP-BQYQJAHWSA-N 2 0 337.552 3.293 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950309 1371241440 /nfs/dbraw/zinc/24/14/40/1371241440.db2.gz KXKYGBDBARKDSF-SNAWJCMRSA-N 2 0 349.563 3.437 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951312 1371243122 /nfs/dbraw/zinc/24/31/22/1371243122.db2.gz JYCHJWLWHRPZLV-KRWDZBQOSA-N 2 0 345.531 3.236 20 0 EGADRP CCN1CCC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206992407 1371261041 /nfs/dbraw/zinc/26/10/41/1371261041.db2.gz UJEQGPCKUZJJGB-NRFANRHFSA-N 3 0 329.532 3.363 20 0 EGADRP Cc1cccc(N2C[C@@]3(CC[N@@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)c1 ZINC001207281454 1371348269 /nfs/dbraw/zinc/34/82/69/1371348269.db2.gz DMUABKSCXMTCGN-NRFANRHFSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001207284235 1371349978 /nfs/dbraw/zinc/34/99/78/1371349978.db2.gz MGLVGVCTDDBXNZ-LJQANCHMSA-N 2 0 341.540 3.201 20 0 EGADRP Cc1ccc(N2C[C@@]3(CC[N@@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)cc1 ZINC001207282994 1371350414 /nfs/dbraw/zinc/35/04/14/1371350414.db2.gz ZXPURFQQEYAMAW-NRFANRHFSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+]1CCC2(C[NH+](CCCc3ccc(Br)cc3)C2)CC1 ZINC001207323143 1371361724 /nfs/dbraw/zinc/36/17/24/1371361724.db2.gz QWBKRPXMGLYWLP-UHFFFAOYSA-N 2 0 337.305 3.409 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207336938 1371364363 /nfs/dbraw/zinc/36/43/63/1371364363.db2.gz MVJKFJQCKFSWFC-WUYYXPQKSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001207399179 1371383819 /nfs/dbraw/zinc/38/38/19/1371383819.db2.gz GJCCSPSZRAQSNS-LJQANCHMSA-N 2 0 339.524 3.050 20 0 EGADRP CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207442028 1371396800 /nfs/dbraw/zinc/39/68/00/1371396800.db2.gz QNMGCRDYRISCHD-UHFFFAOYSA-N 2 0 347.503 3.013 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001207481732 1371409657 /nfs/dbraw/zinc/40/96/57/1371409657.db2.gz FJYHMVLLMIRGJG-CTNGQTDRSA-N 2 0 343.515 3.294 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001207483192 1371409956 /nfs/dbraw/zinc/40/99/56/1371409956.db2.gz DUGQNZISTYNYTI-UHFFFAOYSA-N 2 0 327.394 3.190 20 0 EGADRP Cc1csc([C@H]2C[C@@H]3CC[N@@H+](CCC4CC[NH+](C)CC4)C[C@H]3O2)n1 ZINC001207483245 1371410178 /nfs/dbraw/zinc/41/01/78/1371410178.db2.gz VEYZTBGUHUXJRT-RCCFBDPRSA-N 2 0 349.544 3.335 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001207486594 1371410932 /nfs/dbraw/zinc/41/09/32/1371410932.db2.gz LCEIDHPGAXESLB-UHFFFAOYSA-N 3 0 341.543 3.316 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001207488360 1371411822 /nfs/dbraw/zinc/41/18/22/1371411822.db2.gz JMIRZALBKWDEFY-FQEVSTJZSA-N 2 0 344.499 3.174 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545043 1371431300 /nfs/dbraw/zinc/43/13/00/1371431300.db2.gz BTTCUWPOYBAABR-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)C[C@@H]2C1 ZINC001119988984 1371443702 /nfs/dbraw/zinc/44/37/02/1371443702.db2.gz MOWFPISXZTUUCL-OWCLPIDISA-N 2 0 330.501 3.096 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120016592 1371457116 /nfs/dbraw/zinc/45/71/16/1371457116.db2.gz UXPLHXQOFYTSJG-PLNGDYQASA-N 2 0 347.547 3.237 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207636952 1371460328 /nfs/dbraw/zinc/46/03/28/1371460328.db2.gz ZATWHFMMWGZSLP-PWRODBHTSA-N 2 0 333.564 3.328 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCCCC1 ZINC001120041341 1371466660 /nfs/dbraw/zinc/46/66/60/1371466660.db2.gz PMFSJGPMMSCOFK-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CCCC(C)C)CCCCC1 ZINC001120046130 1371468053 /nfs/dbraw/zinc/46/80/53/1371468053.db2.gz LTKVYEGQUDFTGW-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001326277117 1388140022 /nfs/dbraw/zinc/14/00/22/1388140022.db2.gz JDZAJTUPWZHZOY-UHFFFAOYSA-N 2 0 329.488 3.214 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001207758032 1371495761 /nfs/dbraw/zinc/49/57/61/1371495761.db2.gz SCDRQRPJRFGVRG-ZHALLVOQSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120189480 1371503423 /nfs/dbraw/zinc/50/34/23/1371503423.db2.gz KJLUYRHOJNETLU-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC)C1 ZINC001120429805 1371572898 /nfs/dbraw/zinc/57/28/98/1371572898.db2.gz BLNNWQCELWWUIQ-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120438865 1371577061 /nfs/dbraw/zinc/57/70/61/1371577061.db2.gz CPSFIVROQHXZBF-NHQAVIFJSA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459538 1371583500 /nfs/dbraw/zinc/58/35/00/1371583500.db2.gz NDACKADVZKAQGR-FMEUAVTJSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120463288 1371584938 /nfs/dbraw/zinc/58/49/38/1371584938.db2.gz YFNBYLORARFXGL-WOJBJXKFSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001208073228 1371588257 /nfs/dbraw/zinc/58/82/57/1371588257.db2.gz FQVTYJYMKMUXHK-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC(N3CCc4ccccc4C3)CC2)CC1 ZINC001208109545 1371597858 /nfs/dbraw/zinc/59/78/58/1371597858.db2.gz OGBXVZLGVCPPDQ-UHFFFAOYSA-N 3 0 341.543 3.241 20 0 EGADRP CC1=C[C@H](C)[C@@H](C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001208166760 1371616051 /nfs/dbraw/zinc/61/60/51/1371616051.db2.gz BZSBOBCRSXPUOU-RBUKOAKNSA-N 2 0 342.531 3.329 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208279356 1371695652 /nfs/dbraw/zinc/69/56/52/1371695652.db2.gz ODXPHYGHKQMDAS-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208279301 1371695787 /nfs/dbraw/zinc/69/57/87/1371695787.db2.gz MXXCGMMAZIWATB-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208363368 1371735918 /nfs/dbraw/zinc/73/59/18/1371735918.db2.gz YEDKUWRIHGGELF-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001208453349 1371771563 /nfs/dbraw/zinc/77/15/63/1371771563.db2.gz FJXLTAAKAUBLTE-CWIMXHLESA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001208454071 1371773163 /nfs/dbraw/zinc/77/31/63/1371773163.db2.gz SDEOUPMJOSJMDZ-IBGZPJMESA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCN1Cc1ccccc1 ZINC001208588786 1371830130 /nfs/dbraw/zinc/83/01/30/1371830130.db2.gz LJSZFLWAFXWOIP-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2C[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001208588917 1371830338 /nfs/dbraw/zinc/83/03/38/1371830338.db2.gz MXYOKCLZDZDZOC-ACRUOGEOSA-N 2 0 327.516 3.067 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001208610305 1371839464 /nfs/dbraw/zinc/83/94/64/1371839464.db2.gz PHAGUTCWIDVCCT-HBMCJLEFSA-N 2 0 343.515 3.042 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001121117097 1371857329 /nfs/dbraw/zinc/85/73/29/1371857329.db2.gz DVNNXDIQODWYDE-CGAYHSHTSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208749733 1371883652 /nfs/dbraw/zinc/88/36/52/1371883652.db2.gz VSPOUPZDKHDBAP-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208750083 1371883786 /nfs/dbraw/zinc/88/37/86/1371883786.db2.gz YFAKSRQKXXKBSO-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001121193318 1371885454 /nfs/dbraw/zinc/88/54/54/1371885454.db2.gz AGKIXXHYQUYQBO-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208768768 1371890364 /nfs/dbraw/zinc/89/03/64/1371890364.db2.gz HSRZHXJCUGUDPK-XFHJGTJQSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232592 1371902068 /nfs/dbraw/zinc/90/20/68/1371902068.db2.gz GCVXMPKSQCGTCB-YQTQZHKRSA-N 2 0 349.563 3.027 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232585 1371902218 /nfs/dbraw/zinc/90/22/18/1371902218.db2.gz GCVXMPKSQCGTCB-IAAUGFHKSA-N 2 0 349.563 3.027 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC001121260596 1371912601 /nfs/dbraw/zinc/91/26/01/1371912601.db2.gz GWGSKPYZOHPHKR-FCOWATRHSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001208918389 1371944042 /nfs/dbraw/zinc/94/40/42/1371944042.db2.gz HFAFQQISFGXJRX-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1noc([C@H]2CC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208940471 1371954412 /nfs/dbraw/zinc/95/44/12/1371954412.db2.gz RZYBYPXKXQQCOY-MOPGFXCFSA-N 2 0 340.471 3.080 20 0 EGADRP COC(=O)[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939798 1371955259 /nfs/dbraw/zinc/95/52/59/1371955259.db2.gz JFEOHIWDQJHCGA-YSIASYRMSA-N 2 0 344.499 3.030 20 0 EGADRP CCC[NH+]1C[C@@H]2CN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942983 1371957144 /nfs/dbraw/zinc/95/71/44/1371957144.db2.gz KONPKYDKMQBROS-YPAWHYETSA-N 2 0 341.543 3.172 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCC(c4ncccn4)CC3)C2)cc1 ZINC001208947223 1371958538 /nfs/dbraw/zinc/95/85/38/1371958538.db2.gz AAGHISSTLCMMTB-LJQANCHMSA-N 2 0 336.483 3.178 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953494 1371960042 /nfs/dbraw/zinc/96/00/42/1371960042.db2.gz PXIDTPOZTDCOFH-CTNGQTDRSA-N 2 0 337.467 3.057 20 0 EGADRP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC001209103554 1371998737 /nfs/dbraw/zinc/99/87/37/1371998737.db2.gz YVABFZTZGHYHDY-IBGZPJMESA-N 2 0 336.520 3.260 20 0 EGADRP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209153323 1372017157 /nfs/dbraw/zinc/01/71/57/1372017157.db2.gz GMOAVRLLDZEVGK-WOJBJXKFSA-N 2 0 344.499 3.172 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCCc4cccnc4)C[C@@H]3C2)cc1 ZINC001209174977 1372024327 /nfs/dbraw/zinc/02/43/27/1372024327.db2.gz WRPLSZSHKLSTDA-FGZHOGPDSA-N 2 0 335.495 3.386 20 0 EGADRP COCC[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001209209892 1372039699 /nfs/dbraw/zinc/03/96/99/1372039699.db2.gz KLGFHDQAUYKROQ-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC3(CC(NC(=O)CC[NH+](C)C)C3)C2)C1 ZINC001121696283 1372049871 /nfs/dbraw/zinc/04/98/71/1372049871.db2.gz MWEMSNBDKBNNJU-PPDYRMFTSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209278843 1372056421 /nfs/dbraw/zinc/05/64/21/1372056421.db2.gz RSCJADMUSPSQBT-DKFQHHCZSA-N 2 0 347.503 3.282 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001209324984 1372069803 /nfs/dbraw/zinc/06/98/03/1372069803.db2.gz VPCCAKOQJFJZGK-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCOC(=O)CCCCCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001209354690 1372075619 /nfs/dbraw/zinc/07/56/19/1372075619.db2.gz MBOONFVDSRTJIF-UHFFFAOYSA-N 2 0 333.476 3.026 20 0 EGADRP COC1CCC(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001209392670 1372088209 /nfs/dbraw/zinc/08/82/09/1372088209.db2.gz KXKXWJUVYWHRIX-UHFFFAOYSA-N 2 0 338.536 3.016 20 0 EGADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@H]4C)CC3)C2)cc1 ZINC001209411602 1372098665 /nfs/dbraw/zinc/09/86/65/1372098665.db2.gz CTVIIQXSKVFCAI-QUCCMNQESA-N 2 0 328.500 3.318 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001209614090 1372151748 /nfs/dbraw/zinc/15/17/48/1372151748.db2.gz NANQZSYWZVMWAX-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)CC(C)C)C2 ZINC001122023868 1372155157 /nfs/dbraw/zinc/15/51/57/1372155157.db2.gz SWEXQECGELAMCH-UFQJCFOOSA-N 2 0 337.552 3.027 20 0 EGADRP C[NH+](C)CCCCC(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2 ZINC001122093493 1372172911 /nfs/dbraw/zinc/17/29/11/1372172911.db2.gz DLXBIOFYMMSYFM-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cnc3C)C2)C1 ZINC001122117725 1372179166 /nfs/dbraw/zinc/17/91/66/1372179166.db2.gz CSQOGQQNQZJZCI-AATRIKPKSA-N 2 0 344.503 3.024 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242637 1372209924 /nfs/dbraw/zinc/20/99/24/1372209924.db2.gz MOJLFZASXAHZQI-MBEFBZSESA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC001122248095 1372211644 /nfs/dbraw/zinc/21/16/44/1372211644.db2.gz FMUUHSVKEYALPL-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209941205 1372237544 /nfs/dbraw/zinc/23/75/44/1372237544.db2.gz TXOFPIUHHKQYPY-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957607 1372240995 /nfs/dbraw/zinc/24/09/95/1372240995.db2.gz CPVPJWGDBOOPDB-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210040515 1372261447 /nfs/dbraw/zinc/26/14/47/1372261447.db2.gz JFZQDTQJJRKQTJ-QWFCFKBJSA-N 2 0 345.531 3.143 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210183750 1372290641 /nfs/dbraw/zinc/29/06/41/1372290641.db2.gz ROUDMNYDWIMEPN-QJSCKGPTSA-N 2 0 337.552 3.435 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)C(C)C ZINC001210189685 1372291610 /nfs/dbraw/zinc/29/16/10/1372291610.db2.gz LTUWPSKUUZLQFX-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1)c1ccccc1 ZINC001210216849 1372295869 /nfs/dbraw/zinc/29/58/69/1372295869.db2.gz AIPONPHGURWOBH-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210221283 1372297172 /nfs/dbraw/zinc/29/71/72/1372297172.db2.gz ZAWPGWJBCSMHRA-RBUKOAKNSA-N 2 0 345.531 3.287 20 0 EGADRP CCOc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1OCC ZINC001210265454 1372309404 /nfs/dbraw/zinc/30/94/04/1372309404.db2.gz FAZZPALQXUFWIU-UHFFFAOYSA-N 2 0 342.443 3.032 20 0 EGADRP c1ccc(Cc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)nc1 ZINC001210265382 1372309919 /nfs/dbraw/zinc/30/99/19/1372309919.db2.gz CISLDKMWOFZWJY-UHFFFAOYSA-N 2 0 345.450 3.221 20 0 EGADRP CC(C)Oc1c(F)cccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210270903 1372312346 /nfs/dbraw/zinc/31/23/46/1372312346.db2.gz JIQPKLDISDAZOZ-UHFFFAOYSA-N 2 0 330.407 3.161 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001210433561 1372352866 /nfs/dbraw/zinc/35/28/66/1372352866.db2.gz SEWOMWWFCCUVMF-QWFCFKBJSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001210494819 1372365869 /nfs/dbraw/zinc/36/58/69/1372365869.db2.gz XRBLCMMCOVKFLF-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC001210499371 1372367329 /nfs/dbraw/zinc/36/73/29/1372367329.db2.gz XIAJXMGOIIWKBV-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593765 1372386420 /nfs/dbraw/zinc/38/64/20/1372386420.db2.gz FAXFQTIZINDLNF-YADGQWAMSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210614764 1372391501 /nfs/dbraw/zinc/39/15/01/1372391501.db2.gz JEHOBYYGBPLRFY-FPOVZHCZSA-N 2 0 345.531 3.234 20 0 EGADRP CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210642710 1372398005 /nfs/dbraw/zinc/39/80/05/1372398005.db2.gz GKPITVAKBLZYLC-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210689343 1372408343 /nfs/dbraw/zinc/40/83/43/1372408343.db2.gz BMVYOCYZEGCDIU-DLBZAZTESA-N 2 0 346.519 3.024 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1F ZINC001210743230 1372417750 /nfs/dbraw/zinc/41/77/50/1372417750.db2.gz HGIBAUFZTQNHME-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210811739 1372431528 /nfs/dbraw/zinc/43/15/28/1372431528.db2.gz QIMMWBLQQDCOMB-OALUTQOASA-N 2 0 345.531 3.287 20 0 EGADRP C[NH2+]Cc1ccc(Nc2ccc(OC3CC[NH+](C)CC3)cn2)cc1 ZINC001211129485 1372488630 /nfs/dbraw/zinc/48/86/30/1372488630.db2.gz FRTSOJKFSFFWEX-UHFFFAOYSA-N 2 0 326.444 3.018 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309354 1372526345 /nfs/dbraw/zinc/52/63/45/1372526345.db2.gz BDPQIXKEXGLGHB-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001211371792 1372542785 /nfs/dbraw/zinc/54/27/85/1372542785.db2.gz WRTUMPFIVKWEBQ-WSTZPKSXSA-N 2 0 345.531 3.141 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001212335876 1372689288 /nfs/dbraw/zinc/68/92/88/1372689288.db2.gz NPWHSQCWUGIUHB-AWEZNQCLSA-N 2 0 329.231 3.346 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001212336257 1372690229 /nfs/dbraw/zinc/69/02/29/1372690229.db2.gz XTNIIJWZTIPAPG-AWEZNQCLSA-N 2 0 329.231 3.346 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC001127344135 1373117245 /nfs/dbraw/zinc/11/72/45/1373117245.db2.gz GKRCCOBUDGDRET-IEBWSBKVSA-N 2 0 343.515 3.108 20 0 EGADRP CCC/C=C/CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357152 1373118578 /nfs/dbraw/zinc/11/85/78/1373118578.db2.gz SXFUHNKMDPCHLQ-WRFKIARRSA-N 2 0 335.536 3.093 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855230 1373130326 /nfs/dbraw/zinc/13/03/26/1373130326.db2.gz ANWHATZOAUSWPA-RLLQIKCJSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)c2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC001127701476 1373164395 /nfs/dbraw/zinc/16/43/95/1373164395.db2.gz PUSQWQDRDDUPGR-LSTHTHJFSA-N 2 0 345.531 3.307 20 0 EGADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584288 1388248120 /nfs/dbraw/zinc/24/81/20/1388248120.db2.gz VBKHULBGKHVTSN-ROUUACIJSA-N 2 0 343.515 3.026 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001215298868 1373195948 /nfs/dbraw/zinc/19/59/48/1373195948.db2.gz LDKMPPUMZHZIRO-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188140232 1388248812 /nfs/dbraw/zinc/24/88/12/1388248812.db2.gz ZTLXECANAGRIBD-NHQAVIFJSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001188158877 1388253425 /nfs/dbraw/zinc/25/34/25/1388253425.db2.gz YDUOVCVIERVDAD-FXAWDEMLSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001216773735 1373341274 /nfs/dbraw/zinc/34/12/74/1373341274.db2.gz FZJBRCWIADDYKF-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001129422107 1373382275 /nfs/dbraw/zinc/38/22/75/1373382275.db2.gz FROBOQWPYHUXCX-IEBWSBKVSA-N 2 0 331.504 3.025 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001129429503 1373383281 /nfs/dbraw/zinc/38/32/81/1373383281.db2.gz HGKAUMSBBPCYAZ-YLJYHZDGSA-N 2 0 343.515 3.169 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217755237 1373498790 /nfs/dbraw/zinc/49/87/90/1373498790.db2.gz FWJZRWNWGVACRF-CPUCHLNUSA-N 2 0 334.851 3.297 20 0 EGADRP CC[C@@H](c1cccc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]32)c1)[C@@H](C)C[NH+](C)C ZINC001218120285 1373565074 /nfs/dbraw/zinc/56/50/74/1373565074.db2.gz OZOSFWFLDKUWHZ-YSCIFQABSA-N 2 0 346.515 3.276 20 0 EGADRP CC[C@@H](c1cccc(O[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c1)[C@@H](C)C[NH+](C)C ZINC001218127455 1373566384 /nfs/dbraw/zinc/56/63/84/1373566384.db2.gz OZOSFWFLDKUWHZ-FZHKGVQDSA-N 2 0 346.515 3.276 20 0 EGADRP c1ccc(CN2CCc3ccc(O[C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)nc3C2)cc1 ZINC001218186093 1373574143 /nfs/dbraw/zinc/57/41/43/1373574143.db2.gz LQFXPCCOXMZNCC-PMOLBWCYSA-N 2 0 349.478 3.302 20 0 EGADRP CC[NH+](CC)C[C@H](C)Oc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC001218192406 1373575604 /nfs/dbraw/zinc/57/56/04/1373575604.db2.gz IBHDPODRQVXMOW-AWEZNQCLSA-N 2 0 348.466 3.209 20 0 EGADRP CC[C@]1(c2cccc(OC[C@H]3C[NH2+]CCCO3)c2)CCCC[N@H+](C)C1 ZINC001218301182 1373591083 /nfs/dbraw/zinc/59/10/83/1373591083.db2.gz ZAYFGOXDUIHNGU-RTWAWAEBSA-N 2 0 346.515 3.207 20 0 EGADRP c1cnc2c(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218326440 1373597038 /nfs/dbraw/zinc/59/70/38/1373597038.db2.gz PHBLVLLEVQEXAQ-IMFGXOCKSA-N 2 0 337.467 3.207 20 0 EGADRP [NH3+]CCc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001218390320 1373605402 /nfs/dbraw/zinc/60/54/02/1373605402.db2.gz ITWIRAWOTGHEJP-LJQANCHMSA-N 2 0 328.431 3.370 20 0 EGADRP CC(C)[C@@]1(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)CCC[NH2+]C1 ZINC001218821076 1373657737 /nfs/dbraw/zinc/65/77/37/1373657737.db2.gz AZFSREHIQPCYLN-OAQYLSRUSA-N 2 0 343.515 3.460 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccccc1Oc1ccccc1C ZINC001218851613 1373661322 /nfs/dbraw/zinc/66/13/22/1373661322.db2.gz TXIQDRYFIUDHNM-KRWDZBQOSA-N 2 0 341.455 3.443 20 0 EGADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC001218898462 1373665983 /nfs/dbraw/zinc/66/59/83/1373665983.db2.gz QHCOPONGASAUHT-AWEZNQCLSA-N 2 0 331.382 3.012 20 0 EGADRP N[C@H](C[NH3+])c1ccc(C(=O)Nc2ccc3sc(Cl)nc3c2)cc1 ZINC001218901394 1373666067 /nfs/dbraw/zinc/66/60/67/1373666067.db2.gz JJQSDUYKXDDVIY-GFCCVEGCSA-N 2 0 346.843 3.161 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@@H]3C[NH2+]C[C@@H](c4ccccc4)C3)cc2)CCC1 ZINC001218973019 1373672958 /nfs/dbraw/zinc/67/29/58/1373672958.db2.gz VPQCRVPOJCTWSP-ROUUACIJSA-N 2 0 349.478 3.356 20 0 EGADRP CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)Nc2cccc3c2C[NH2+]C3)cc1 ZINC001218992876 1373675576 /nfs/dbraw/zinc/67/55/76/1373675576.db2.gz FWEUAONXJHZCPD-GOSISDBHSA-N 2 0 337.467 3.096 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)cc1 ZINC001219345512 1373702680 /nfs/dbraw/zinc/70/26/80/1373702680.db2.gz RDMLHCBIYKLCAE-NRFANRHFSA-N 2 0 345.446 3.321 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848292 1373797645 /nfs/dbraw/zinc/79/76/45/1373797645.db2.gz IMDSOTGWUCDQHE-UIJPIBLASA-N 2 0 347.547 3.140 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001131799082 1373809695 /nfs/dbraw/zinc/80/96/95/1373809695.db2.gz HGDUJFOFNZNFNO-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP FC(F)(F)Sc1ccc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001222207649 1373820549 /nfs/dbraw/zinc/82/05/49/1373820549.db2.gz ATWPYOOARCKQMZ-UHFFFAOYSA-N 2 0 346.418 3.253 20 0 EGADRP Cc1ccc(F)c(C[NH+]2CCC3(C[NH2+]C3)CC2)c1Br ZINC001222208421 1373821468 /nfs/dbraw/zinc/82/14/68/1373821468.db2.gz LMIVHDZOVWXQEL-UHFFFAOYSA-N 2 0 327.241 3.082 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001131822904 1373824120 /nfs/dbraw/zinc/82/41/20/1373824120.db2.gz XNGKLYVYRAIIRJ-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001188325571 1388290378 /nfs/dbraw/zinc/29/03/78/1388290378.db2.gz MMSGWYVBQHPTKN-ZPUOCTKUSA-N 2 0 347.503 3.282 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001326875189 1388334638 /nfs/dbraw/zinc/33/46/38/1388334638.db2.gz LOTDRFRSIOWCAK-IBGZPJMESA-N 2 0 347.547 3.212 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223928329 1375047793 /nfs/dbraw/zinc/04/77/93/1375047793.db2.gz AJMVMCKIFUTOCO-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](C(=O)NCC1CC[NH+](CC2CC(C)C2)CC1)[NH+]1CCCCCC1 ZINC001224738931 1375072592 /nfs/dbraw/zinc/07/25/92/1375072592.db2.gz FHMIBKREFBFEEZ-FDYSRKEFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739052 1375072754 /nfs/dbraw/zinc/07/27/54/1375072754.db2.gz IFPMYORZWBJUOE-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](C[C@@H](F)CC)CC1 ZINC001224883538 1375082685 /nfs/dbraw/zinc/08/26/85/1375082685.db2.gz DEYRNHGZMZBAKC-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP CC[N@@H+]1CC[C@H](OC[C@@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152549 1375095940 /nfs/dbraw/zinc/09/59/40/1375095940.db2.gz VJZVEVKCFGDCNV-PZJWPPBQSA-N 2 0 346.515 3.167 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1CCCC1 ZINC001132105176 1375149848 /nfs/dbraw/zinc/14/98/48/1375149848.db2.gz BXLQIRZYJNWNSL-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1CCCC1 ZINC001132105175 1375150405 /nfs/dbraw/zinc/15/04/05/1375150405.db2.gz BXLQIRZYJNWNSL-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690171 1388361242 /nfs/dbraw/zinc/36/12/42/1388361242.db2.gz IKGIYMHBWISXDQ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152698 1375173371 /nfs/dbraw/zinc/17/33/71/1375173371.db2.gz HUFWLTOMZMQDCU-QAZIKRLUSA-N 2 0 337.552 3.432 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211015 1375211520 /nfs/dbraw/zinc/21/15/20/1375211520.db2.gz KZACZZHGDLFKGI-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CCC1CC1 ZINC001132212137 1375212314 /nfs/dbraw/zinc/21/23/14/1375212314.db2.gz UEWKIVHWRCRQAT-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CC1=CCCCC1 ZINC001132311315 1375290637 /nfs/dbraw/zinc/29/06/37/1375290637.db2.gz SRILVZUORMDGBA-PKOBYXMFSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001226613516 1375292084 /nfs/dbraw/zinc/29/20/84/1375292084.db2.gz JTOMTKXXLYJTPL-RTLRUIJZSA-N 2 0 335.536 3.234 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1)C1CC1 ZINC001226800618 1375337992 /nfs/dbraw/zinc/33/79/92/1375337992.db2.gz NBIIYLRMUAFPLS-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001226890093 1375353200 /nfs/dbraw/zinc/35/32/00/1375353200.db2.gz HWLHUQULSXYWPM-RCCFBDPRSA-N 2 0 349.544 3.140 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132432603 1375378242 /nfs/dbraw/zinc/37/82/42/1375378242.db2.gz FDLZSOUTMKIRLZ-ZWKOTPCHSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCC2)C1 ZINC001132436371 1375381049 /nfs/dbraw/zinc/38/10/49/1375381049.db2.gz KWUZXQUIOXJTOQ-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132518669 1375436645 /nfs/dbraw/zinc/43/66/45/1375436645.db2.gz MNZQNUDABBYEPG-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCC(C)(C)C ZINC001132518951 1375437056 /nfs/dbraw/zinc/43/70/56/1375437056.db2.gz QLWOALSKIGSMSF-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)cc1C ZINC001132519329 1375437422 /nfs/dbraw/zinc/43/74/22/1375437422.db2.gz WUYFXSCYOWOZRT-ICSRJNTNSA-N 2 0 345.531 3.113 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132522772 1375439437 /nfs/dbraw/zinc/43/94/37/1375439437.db2.gz SAWABBYIZFUCLW-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227798270 1375476888 /nfs/dbraw/zinc/47/68/88/1375476888.db2.gz VVQFTBDSTLSGOM-WOJBJXKFSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC[NH+](CCC3CCCCC3)CC2)CCC1 ZINC001227806477 1375478080 /nfs/dbraw/zinc/47/80/80/1375478080.db2.gz BAKPSTDOSJYKIF-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001227876252 1375486037 /nfs/dbraw/zinc/48/60/37/1375486037.db2.gz GATXTSPYTQBSRV-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CO[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2C[NH+](C)C)C1 ZINC001228442653 1375573475 /nfs/dbraw/zinc/57/34/75/1375573475.db2.gz VLFMGZPPZCTSJY-QGZVFWFLSA-N 2 0 328.456 3.001 20 0 EGADRP C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001132889158 1375627643 /nfs/dbraw/zinc/62/76/43/1375627643.db2.gz XKOMLSDRKQTSQX-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132936671 1375656670 /nfs/dbraw/zinc/65/66/70/1375656670.db2.gz CXKWLPBMAAUZCC-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133030926 1375724599 /nfs/dbraw/zinc/72/45/99/1375724599.db2.gz LQRLIYMFRNUFKZ-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1)[NH+](C)C ZINC001229058259 1375753911 /nfs/dbraw/zinc/75/39/11/1375753911.db2.gz IMMLBTGORKKKEZ-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229127056 1375770268 /nfs/dbraw/zinc/77/02/68/1375770268.db2.gz RXLMZDHDYFOVKR-RTBURBONSA-N 2 0 331.504 3.179 20 0 EGADRP CCC(CC)C[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001229171974 1375780639 /nfs/dbraw/zinc/78/06/39/1375780639.db2.gz STNCPHMNRACWSG-GOSISDBHSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122486 1375787591 /nfs/dbraw/zinc/78/75/91/1375787591.db2.gz RNJJPMGNFYNVJR-ROUUACIJSA-N 2 0 339.568 3.085 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133195510 1375835044 /nfs/dbraw/zinc/83/50/44/1375835044.db2.gz RLEJYOXKQQTATM-SBUVDCAVSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC)c1ccccc1 ZINC001229496331 1375846528 /nfs/dbraw/zinc/84/65/28/1375846528.db2.gz PRNYBXIQMLCUPF-VAMGGRTRSA-N 2 0 345.531 3.497 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229656093 1375872988 /nfs/dbraw/zinc/87/29/88/1375872988.db2.gz XYLQLPREOAULOL-GOSISDBHSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC001229664536 1375873953 /nfs/dbraw/zinc/87/39/53/1375873953.db2.gz QRPWONVCFPDIRU-UHFFFAOYSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC001229837888 1375900865 /nfs/dbraw/zinc/90/08/65/1375900865.db2.gz ZPHBHEXMUCXZBG-WOJBJXKFSA-N 2 0 345.531 3.244 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC001229877753 1375910208 /nfs/dbraw/zinc/91/02/08/1375910208.db2.gz ZTEDQMXNMOQPES-DFQSSKMNSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001133314938 1375918099 /nfs/dbraw/zinc/91/80/99/1375918099.db2.gz QFQLNPWCGUQUHJ-QUCCMNQESA-N 2 0 347.547 3.047 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001229992483 1375926495 /nfs/dbraw/zinc/92/64/95/1375926495.db2.gz BYOUIHJLOUHBRN-ONEGZZNKSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133333498 1375929276 /nfs/dbraw/zinc/92/92/76/1375929276.db2.gz ILVSCVOMXAPUIM-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001230036084 1375933998 /nfs/dbraw/zinc/93/39/98/1375933998.db2.gz ZTSZYFJWEZHJSA-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001133358697 1375942724 /nfs/dbraw/zinc/94/27/24/1375942724.db2.gz CPEWIVMBTDJXSO-IRXDYDNUSA-N 2 0 349.519 3.219 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001230107480 1375943410 /nfs/dbraw/zinc/94/34/10/1375943410.db2.gz HCRIXPIRZAWBSU-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001133433726 1376004041 /nfs/dbraw/zinc/00/40/41/1376004041.db2.gz AUBDAKCUJVUQPA-OXJNMPFZSA-N 2 0 341.499 3.193 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC[NH+](Cc2ccsc2)CC1 ZINC001230431730 1376029252 /nfs/dbraw/zinc/02/92/52/1376029252.db2.gz XMHDMKXUZPEEGJ-UHFFFAOYSA-N 2 0 349.544 3.095 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CCCC2)CC1 ZINC001230598051 1376092377 /nfs/dbraw/zinc/09/23/77/1376092377.db2.gz CZRQXMUYNRWCDR-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598678 1376095214 /nfs/dbraw/zinc/09/52/14/1376095214.db2.gz WRTJLEGOEMFZNE-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP c1c(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)[nH]c2cc[nH+]cc12 ZINC001232014181 1376382162 /nfs/dbraw/zinc/38/21/62/1376382162.db2.gz ZHSBZPDSKZMVJN-GOSISDBHSA-N 2 0 341.455 3.113 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583714 1376608665 /nfs/dbraw/zinc/60/86/65/1376608665.db2.gz NSIYRSKWGZHDCV-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001134772444 1376712333 /nfs/dbraw/zinc/71/23/33/1376712333.db2.gz DFFBOSMHGOORBU-ZWKOTPCHSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001134774530 1376713421 /nfs/dbraw/zinc/71/34/21/1376713421.db2.gz ZAFYDDZULGEKLB-ZBEVKASSSA-N 2 0 345.531 3.303 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134792146 1376726004 /nfs/dbraw/zinc/72/60/04/1376726004.db2.gz ZAUYLRQUFWHIMR-HOTGVXAUSA-N 2 0 325.541 3.312 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109819 1388460442 /nfs/dbraw/zinc/46/04/42/1388460442.db2.gz FUMYKBFTGJEEKT-MRNPFCMQSA-N 2 0 349.563 3.386 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCCC1 ZINC001134857776 1376757394 /nfs/dbraw/zinc/75/73/94/1376757394.db2.gz JEHSMJXZRODUQB-MSOLQXFVSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857516 1376757484 /nfs/dbraw/zinc/75/74/84/1376757484.db2.gz DRPMYBHUIMHDPB-DLBZAZTESA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1)[NH2+]Cc1ccsc1 ZINC001134893297 1376772106 /nfs/dbraw/zinc/77/21/06/1376772106.db2.gz UOCOCOJQOBZPPK-KGLIPLIRSA-N 2 0 342.468 3.083 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994537 1376833074 /nfs/dbraw/zinc/83/30/74/1376833074.db2.gz SFRGQRLSRLEQAD-LSDHHAIUSA-N 2 0 330.476 3.257 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH2+]CC1CCCC1 ZINC001134994690 1376833299 /nfs/dbraw/zinc/83/32/99/1376833299.db2.gz VWYLBIJRNXCUKC-CABCVRRESA-N 2 0 328.460 3.011 20 0 EGADRP c1csc(-c2ccccc2C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235035105 1376833357 /nfs/dbraw/zinc/83/33/57/1376833357.db2.gz AOMPKIBZEZFWFR-SJLPKXTDSA-N 2 0 328.481 3.225 20 0 EGADRP Clc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)o1 ZINC001235036293 1376834878 /nfs/dbraw/zinc/83/48/78/1376834878.db2.gz LCNBJKOKAIXQJR-AUUYWEPGSA-N 2 0 346.858 3.410 20 0 EGADRP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)o1 ZINC001235035632 1376835551 /nfs/dbraw/zinc/83/55/51/1376835551.db2.gz GNTBSPOIQWKZQX-UYAOXDASSA-N 2 0 326.440 3.065 20 0 EGADRP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038176 1376836401 /nfs/dbraw/zinc/83/64/01/1376836401.db2.gz DJJFKZUZEIBDEL-OXQOHEQNSA-N 2 0 330.472 3.202 20 0 EGADRP Fc1cc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc(OCc2ccccc2)c1 ZINC001235339319 1376869176 /nfs/dbraw/zinc/86/91/76/1376869176.db2.gz FRUDKGIHTAJPNT-GOSISDBHSA-N 2 0 340.442 3.446 20 0 EGADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001235430441 1376871300 /nfs/dbraw/zinc/87/13/00/1376871300.db2.gz SYVXDTPKHYCBIK-LSDHHAIUSA-N 2 0 336.863 3.280 20 0 EGADRP COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431116 1376871716 /nfs/dbraw/zinc/87/17/16/1376871716.db2.gz UYMCIABGDCCWKK-IAGOWNOFSA-N 2 0 332.488 3.224 20 0 EGADRP COc1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429858 1376872513 /nfs/dbraw/zinc/87/25/13/1376872513.db2.gz RTSIIIWAVCSHGE-HUUCEWRRSA-N 2 0 336.451 3.055 20 0 EGADRP Clc1ccc2c(c1)n[nH]c2C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431229 1376872639 /nfs/dbraw/zinc/87/26/39/1376872639.db2.gz YZWKEQAMFDYYSJ-UONOGXRCSA-N 2 0 332.879 3.428 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1)[NH+](C)C ZINC001235588522 1376877387 /nfs/dbraw/zinc/87/73/87/1376877387.db2.gz KPRWNNYQNBPWLT-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP FC1(C[N@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)CC[NH2+]CC1 ZINC001235632196 1376880001 /nfs/dbraw/zinc/88/00/01/1376880001.db2.gz PIRRFLNBAFESQF-SLFFLAALSA-N 2 0 344.474 3.275 20 0 EGADRP CC(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101319 1376898966 /nfs/dbraw/zinc/89/89/66/1376898966.db2.gz KTNZJVPEUVUOOO-SJORKVTESA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101748 1376900252 /nfs/dbraw/zinc/90/02/52/1376900252.db2.gz QTXXOXZNVOYPBC-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc(F)c(CO)c3F)c2)CC1 ZINC001235896197 1376912963 /nfs/dbraw/zinc/91/29/63/1376912963.db2.gz JMDSUYSZRKHEHV-UHFFFAOYSA-N 2 0 346.421 3.295 20 0 EGADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3sccc3Oc3ccccc3)C2)C1 ZINC001236077039 1376932231 /nfs/dbraw/zinc/93/22/31/1376932231.db2.gz FBMWPGGBLISCTD-MRXNPFEDSA-N 2 0 343.496 3.148 20 0 EGADRP [NH3+]Cc1cccc(CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001236181860 1376939150 /nfs/dbraw/zinc/93/91/50/1376939150.db2.gz KMLBXPMLGHEAJR-JOCHJYFZSA-N 2 0 335.495 3.386 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179854 1376952219 /nfs/dbraw/zinc/95/22/19/1376952219.db2.gz AJNWOQFLSFFUCL-JKSUJKDBSA-N 2 0 349.494 3.073 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180170 1376953739 /nfs/dbraw/zinc/95/37/39/1376953739.db2.gz DXAAQLRRGRIUAY-SJORKVTESA-N 2 0 325.541 3.170 20 0 EGADRP C[N@@H+](Cc1cccnc1OCc1ccccc1)CC1CC[NH+](C)CC1 ZINC001238774701 1377001019 /nfs/dbraw/zinc/00/10/19/1377001019.db2.gz UUZBEWCIPYNBAB-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297802 1377026260 /nfs/dbraw/zinc/02/62/60/1377026260.db2.gz HQTCAGHJSIBNOA-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001135298169 1377026389 /nfs/dbraw/zinc/02/63/89/1377026389.db2.gz LFVDESIKVHYJBM-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135298138 1377026578 /nfs/dbraw/zinc/02/65/78/1377026578.db2.gz LAWQYXQZHQIOQR-CVEARBPZSA-N 2 0 337.508 3.264 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1occc1C[NH+](C)C ZINC001135299340 1377026968 /nfs/dbraw/zinc/02/69/68/1377026968.db2.gz WGKGHVZZJJAFFZ-GJZGRUSLSA-N 2 0 349.519 3.264 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135307308 1377029360 /nfs/dbraw/zinc/02/93/60/1377029360.db2.gz BZUAEPVQJHPTOV-JKSUJKDBSA-N 2 0 347.503 3.328 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]CCc2cc(Br)ccc2OC)CC[NH2+]1 ZINC001246159008 1377050200 /nfs/dbraw/zinc/05/02/00/1377050200.db2.gz NXNAYMHOIQXYQF-CABCVRRESA-N 2 0 341.293 3.120 20 0 EGADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246156481 1377050328 /nfs/dbraw/zinc/05/03/28/1377050328.db2.gz MTOCOWZAUYNQEB-OSRSDYAFSA-N 2 0 340.920 3.035 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@@H+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001246545971 1377052218 /nfs/dbraw/zinc/05/22/18/1377052218.db2.gz DPJSJPIPTMQPFG-AFMYVXGZSA-N 2 0 348.462 3.308 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001135374759 1377060307 /nfs/dbraw/zinc/06/03/07/1377060307.db2.gz GCVQVAFMMVMCMU-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP O[C@@]1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC001252933185 1377093306 /nfs/dbraw/zinc/09/33/06/1377093306.db2.gz FHARKZZLZBGGDR-NJDAHSKKSA-N 2 0 328.500 3.136 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 ZINC001254509270 1377105625 /nfs/dbraw/zinc/10/56/25/1377105625.db2.gz XTOFDGXXQHKMNB-CQSZACIVSA-N 2 0 326.366 3.441 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468436 1377107580 /nfs/dbraw/zinc/10/75/80/1377107580.db2.gz PLIAQQOIVHLSMU-MSOLQXFVSA-N 2 0 345.531 3.100 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254987288 1377109435 /nfs/dbraw/zinc/10/94/35/1377109435.db2.gz JSCKFUORCJSORI-ULQDDVLXSA-N 2 0 339.524 3.048 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481238 1377113924 /nfs/dbraw/zinc/11/39/24/1377113924.db2.gz RRALNPSTVWNDET-MOPGFXCFSA-N 2 0 347.547 3.080 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614297 1377162332 /nfs/dbraw/zinc/16/23/32/1377162332.db2.gz QEDJWXKQPVXEAS-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP C[N@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001266113098 1377190587 /nfs/dbraw/zinc/19/05/87/1377190587.db2.gz HOFDRTIGSDESPJ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCc1ccc(CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001135705996 1377190787 /nfs/dbraw/zinc/19/07/87/1377190787.db2.gz MOTCAGGQHXNBGD-QZTJIDSGSA-N 2 0 347.547 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001266115854 1377192648 /nfs/dbraw/zinc/19/26/48/1377192648.db2.gz BCDOZHVBKHSLJR-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC1CC(C[N@H+](C)[C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001266119620 1377195267 /nfs/dbraw/zinc/19/52/67/1377195267.db2.gz IQFFOIWMKQJORD-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1CCCC1 ZINC001135789415 1377211912 /nfs/dbraw/zinc/21/19/12/1377211912.db2.gz UPEPTGGBTYFCAI-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135861385 1377238543 /nfs/dbraw/zinc/23/85/43/1377238543.db2.gz PZXZREJPKYRZNU-SJORKVTESA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135861952 1377238596 /nfs/dbraw/zinc/23/85/96/1377238596.db2.gz ZNGCZKSKOSEDPO-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135882668 1377248540 /nfs/dbraw/zinc/24/85/40/1377248540.db2.gz QVOCGMGHRWWADQ-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135882670 1377249089 /nfs/dbraw/zinc/24/90/89/1377249089.db2.gz QVOCGMGHRWWADQ-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961525 1377277319 /nfs/dbraw/zinc/27/73/19/1377277319.db2.gz RWMHAEGVMCKAIN-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001135973721 1377282585 /nfs/dbraw/zinc/28/25/85/1377282585.db2.gz COGPEVPIQLDBGS-ROUUACIJSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135979634 1377284820 /nfs/dbraw/zinc/28/48/20/1377284820.db2.gz HYMSBYCJDKRUQY-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135980170 1377285749 /nfs/dbraw/zinc/28/57/49/1377285749.db2.gz LXDUMIRYLIHYLP-SJORKVTESA-N 2 0 345.531 3.279 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266479702 1377317839 /nfs/dbraw/zinc/31/78/39/1377317839.db2.gz BFAFNIKNXHDQRF-MOPGFXCFSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001266620341 1377348483 /nfs/dbraw/zinc/34/84/83/1377348483.db2.gz UABCROADFGVBMX-UDTPNQRGSA-N 2 0 349.494 3.244 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC001136473377 1377396726 /nfs/dbraw/zinc/39/67/26/1377396726.db2.gz KXQIUKAKMLKUHD-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001136615588 1377409462 /nfs/dbraw/zinc/40/94/62/1377409462.db2.gz NHYMPHYSAAGHLQ-QGZVFWFLSA-N 2 0 345.531 3.497 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C(C)C ZINC001267279603 1377437031 /nfs/dbraw/zinc/43/70/31/1377437031.db2.gz HYLBCXIIWALODF-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC001137208740 1377496988 /nfs/dbraw/zinc/49/69/88/1377496988.db2.gz LIBYUYXBEHQQQG-MOPGFXCFSA-N 2 0 345.531 3.278 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001269345926 1377552233 /nfs/dbraw/zinc/55/22/33/1377552233.db2.gz WVRGOZGOBLEJSD-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cncnc2)CC3)c1 ZINC001137666177 1377585953 /nfs/dbraw/zinc/58/59/53/1377585953.db2.gz QVENWGOUNKXHMR-UHFFFAOYSA-N 2 0 342.512 3.416 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(SC(F)(F)F)cc1 ZINC001137955008 1377652868 /nfs/dbraw/zinc/65/28/68/1377652868.db2.gz BAEXWZYEQFFCMS-UHFFFAOYSA-N 2 0 349.466 3.224 20 0 EGADRP Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c2ccccc12 ZINC001138016606 1377666139 /nfs/dbraw/zinc/66/61/39/1377666139.db2.gz JYAQPOIWXXBKTN-UHFFFAOYSA-N 2 0 337.511 3.362 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001138319204 1377701372 /nfs/dbraw/zinc/70/13/72/1377701372.db2.gz LOBFWKQQHLVFAM-FQEVSTJZSA-N 2 0 345.531 3.056 20 0 EGADRP Cc1nccn1-c1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001138550148 1377740645 /nfs/dbraw/zinc/74/06/45/1377740645.db2.gz KZSHNTYHPHLCQD-UHFFFAOYSA-N 2 0 347.466 3.206 20 0 EGADRP COc1ccc2c(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)c[nH]c2c1 ZINC001138590962 1377750111 /nfs/dbraw/zinc/75/01/11/1377750111.db2.gz IXDPESXSJDBAPQ-UHFFFAOYSA-N 2 0 336.439 3.202 20 0 EGADRP c1cc2cccc(C[NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)n2n1 ZINC001138808124 1377788533 /nfs/dbraw/zinc/78/85/33/1377788533.db2.gz JLPROPWZHLCGTG-UHFFFAOYSA-N 2 0 346.478 3.432 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccnc(Cl)c1 ZINC001138820936 1377791143 /nfs/dbraw/zinc/79/11/43/1377791143.db2.gz PHVCGGNZDUFHLF-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nn1C ZINC001138830002 1377793170 /nfs/dbraw/zinc/79/31/70/1377793170.db2.gz CMYJFDWROWCYLV-UXHICEINSA-N 2 0 338.499 3.073 20 0 EGADRP CCOc1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1OC(C)=O ZINC001139009665 1377817389 /nfs/dbraw/zinc/81/73/89/1377817389.db2.gz UFORMWQCZXBLKF-UHFFFAOYSA-N 2 0 343.427 3.044 20 0 EGADRP Cc1cnccc1O[C@@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139074686 1377824443 /nfs/dbraw/zinc/82/44/43/1377824443.db2.gz PQLQTIPCUNIPOS-CQSZACIVSA-N 2 0 346.814 3.425 20 0 EGADRP C[N@@H+](Cc1ccc(Oc2ncccn2)cc1)CC1CC[NH+](C)CC1 ZINC001139081240 1377826766 /nfs/dbraw/zinc/82/67/66/1377826766.db2.gz ZGKOMYKNWNRLHD-UHFFFAOYSA-N 2 0 326.444 3.043 20 0 EGADRP CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139356150 1377872761 /nfs/dbraw/zinc/87/27/61/1377872761.db2.gz FSPZKEQFYURDJP-KRWDZBQOSA-N 2 0 327.428 3.038 20 0 EGADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001140508581 1378076124 /nfs/dbraw/zinc/07/61/24/1378076124.db2.gz GXXZXMCAZAULCI-ZWKOTPCHSA-N 2 0 326.488 3.412 20 0 EGADRP Cc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)c1 ZINC001140798937 1378139306 /nfs/dbraw/zinc/13/93/06/1378139306.db2.gz YKMSHIMHTFZRGA-UHFFFAOYSA-N 2 0 325.928 3.354 20 0 EGADRP c1cn(CC[N@@H+]2CCCC3(CC[NH+](Cc4ccsc4)CC3)C2)cn1 ZINC001275867208 1378160054 /nfs/dbraw/zinc/16/00/54/1378160054.db2.gz YIZGWLGYTHTRTL-UHFFFAOYSA-N 2 0 344.528 3.323 20 0 EGADRP Cc1nccnc1C[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001276163656 1378168754 /nfs/dbraw/zinc/16/87/54/1378168754.db2.gz FTSHUKGUUUDKJR-UHFFFAOYSA-N 2 0 328.504 3.406 20 0 EGADRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccncc3Br)CC2)C1 ZINC001276314902 1378170527 /nfs/dbraw/zinc/17/05/27/1378170527.db2.gz RYSFMDJBLWGVLH-UHFFFAOYSA-N 2 0 338.293 3.152 20 0 EGADRP C[NH+]1CCC(N2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001277624660 1378241059 /nfs/dbraw/zinc/24/10/59/1378241059.db2.gz GFDQGQCPYWFGIM-QGZVFWFLSA-N 2 0 347.469 3.211 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001278526825 1378280220 /nfs/dbraw/zinc/28/02/20/1378280220.db2.gz NCESLVMRKAVMKM-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP c1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccn4ccnc4c2)CC3)c1 ZINC001279357130 1378306791 /nfs/dbraw/zinc/30/67/91/1378306791.db2.gz HSKRUVVODLHKHO-UHFFFAOYSA-N 2 0 349.482 3.151 20 0 EGADRP c1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc4c[nH]nc4c2)CC3)c1 ZINC001279440628 1378308379 /nfs/dbraw/zinc/30/83/79/1378308379.db2.gz IDYMDRQKHYMKOG-UHFFFAOYSA-N 2 0 349.482 3.379 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1sccc1Oc1ccccc1 ZINC001141999718 1378402891 /nfs/dbraw/zinc/40/28/91/1378402891.db2.gz UABCYSCWZFCEDH-UHFFFAOYSA-N 2 0 347.528 3.466 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001282677746 1378547622 /nfs/dbraw/zinc/54/76/22/1378547622.db2.gz GPJRDIHSMVDIED-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001143838514 1378651724 /nfs/dbraw/zinc/65/17/24/1378651724.db2.gz LJIWWOJSEXTVCI-IEBWSBKVSA-N 2 0 345.531 3.352 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCCC1)[NH2+]CC1CCCC1 ZINC001146399716 1378834880 /nfs/dbraw/zinc/83/48/80/1378834880.db2.gz XTTDJJMDBAAPHI-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533503 1378861637 /nfs/dbraw/zinc/86/16/37/1378861637.db2.gz GRCNLNMIEGSGBH-MGBKSAOESA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001146593881 1378873081 /nfs/dbraw/zinc/87/30/81/1378873081.db2.gz QYCGKIHMSTZRQS-CHWSQXEVSA-N 2 0 345.940 3.115 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146612512 1378877966 /nfs/dbraw/zinc/87/79/66/1378877966.db2.gz PZXINHBKQVZNCX-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146614549 1378878976 /nfs/dbraw/zinc/87/89/76/1378878976.db2.gz YIVNDGFBYIORAS-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001147204669 1378987315 /nfs/dbraw/zinc/98/73/15/1378987315.db2.gz PEQMCKHTOAQNTI-SFHVURJKSA-N 2 0 345.531 3.087 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001147348163 1379007517 /nfs/dbraw/zinc/00/75/17/1379007517.db2.gz GCTMLRIESUEYLL-JTPHSUOKSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CC)cc1 ZINC001147359113 1379008174 /nfs/dbraw/zinc/00/81/74/1379008174.db2.gz LIGVEDONDGQARJ-FQEVSTJZSA-N 2 0 345.531 3.109 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001283679493 1379109182 /nfs/dbraw/zinc/10/91/82/1379109182.db2.gz WJLZGOINQPKDCG-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC3(CN(C(=O)CCC[NH+](C)C)C3)C2)C1 ZINC001148174841 1379129142 /nfs/dbraw/zinc/12/91/42/1379129142.db2.gz YCQOMNAYBYBWFA-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001283721574 1379143692 /nfs/dbraw/zinc/14/36/92/1379143692.db2.gz JENUVNSRUQWMHP-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284913 1379145044 /nfs/dbraw/zinc/14/50/44/1379145044.db2.gz JHJDKPUQSKFQGL-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@H]1C ZINC001283924861 1379276400 /nfs/dbraw/zinc/27/64/00/1379276400.db2.gz BBAVMYQAMCBRNY-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833852 1379279908 /nfs/dbraw/zinc/27/99/08/1379279908.db2.gz NZUQGNHLJVSCFH-LIXSYLKWSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001327841106 1388603909 /nfs/dbraw/zinc/60/39/09/1388603909.db2.gz VFCBQRXBMLTQLK-IRXDYDNUSA-N 3 0 333.520 3.187 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001284214043 1379603017 /nfs/dbraw/zinc/60/30/17/1379603017.db2.gz ZXMGIYHQUPLHJU-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001284244536 1379628783 /nfs/dbraw/zinc/62/87/83/1379628783.db2.gz RISWMCSWLUFPNM-OALUTQOASA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CC2CCCCCC2)c1 ZINC001152246199 1379892786 /nfs/dbraw/zinc/89/27/86/1379892786.db2.gz ULZRUPBCEBSTHE-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312957 1380053838 /nfs/dbraw/zinc/05/38/38/1380053838.db2.gz NZIIILDNTPRVIK-SJLPKXTDSA-N 2 0 337.552 3.122 20 0 EGADRP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313815 1380054107 /nfs/dbraw/zinc/05/41/07/1380054107.db2.gz XOVOASYUORGVRO-VQIMIIECSA-N 2 0 349.494 3.025 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362714 1380064754 /nfs/dbraw/zinc/06/47/54/1380064754.db2.gz UCNZQOGPONZYCY-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001153447811 1380079244 /nfs/dbraw/zinc/07/92/44/1380079244.db2.gz LPOKFNPNOCFIGB-SFHVURJKSA-N 2 0 345.531 3.278 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)(C)C1 ZINC001153720334 1380118614 /nfs/dbraw/zinc/11/86/14/1380118614.db2.gz CGAIBGQNDFTHFJ-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819308 1380136861 /nfs/dbraw/zinc/13/68/61/1380136861.db2.gz WCYAOCAFAVNUQU-MSOLQXFVSA-N 2 0 325.541 3.122 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(Cl)s1)[NH+](C)C ZINC001153998290 1380174743 /nfs/dbraw/zinc/17/47/43/1380174743.db2.gz MRLLFIZNWYKZGE-TZMCWYRMSA-N 2 0 345.940 3.068 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccccc1 ZINC001154070279 1380198652 /nfs/dbraw/zinc/19/86/52/1380198652.db2.gz XBHBWEUJSHTFPF-GOSISDBHSA-N 2 0 347.547 3.176 20 0 EGADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001284790304 1380212012 /nfs/dbraw/zinc/21/20/12/1380212012.db2.gz RGCDDRSXHLPBFU-IVMQYODDSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1 ZINC001154270175 1380243552 /nfs/dbraw/zinc/24/35/52/1380243552.db2.gz GQQNUKSWKURRJI-UHFFFAOYSA-N 2 0 345.531 3.279 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455137 1380280519 /nfs/dbraw/zinc/28/05/19/1380280519.db2.gz HCXWCSIFVFQSJA-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464788 1380283022 /nfs/dbraw/zinc/28/30/22/1380283022.db2.gz YDITVNVRBHVQBN-QGZVFWFLSA-N 2 0 343.531 3.217 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)[NH+](C)C ZINC001154465862 1380283221 /nfs/dbraw/zinc/28/32/21/1380283221.db2.gz NRLLEOQEDWUILG-HKUYNNGSSA-N 2 0 345.531 3.367 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580363 1380310091 /nfs/dbraw/zinc/31/00/91/1380310091.db2.gz VTVDGEPBXHBFSW-HJCTWCACSA-N 2 0 337.552 3.434 20 0 EGADRP COc1cc2c[nH+]c(NC[C@H]3CCC[NH2+]C[C@H]3C)cc2cc1OC ZINC001155034020 1380395588 /nfs/dbraw/zinc/39/55/88/1380395588.db2.gz VEWRVDIFWFHXGO-ZIAGYGMSSA-N 2 0 329.444 3.300 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085463 1380405128 /nfs/dbraw/zinc/40/51/28/1380405128.db2.gz MJIFBQLKNQRVIS-IAGOWNOFSA-N 2 0 327.557 3.226 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155620521 1380474906 /nfs/dbraw/zinc/47/49/06/1380474906.db2.gz KJDAVHVGQTXBDR-QZTJIDSGSA-N 2 0 325.541 3.266 20 0 EGADRP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001156318817 1380557558 /nfs/dbraw/zinc/55/75/58/1380557558.db2.gz IAJKPRRZGGLVSS-IEBWSBKVSA-N 2 0 333.520 3.162 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC001157050310 1380760765 /nfs/dbraw/zinc/76/07/65/1380760765.db2.gz RAZXJTSHVOURDH-SFHVURJKSA-N 2 0 348.560 3.479 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092513 1380774507 /nfs/dbraw/zinc/77/45/07/1380774507.db2.gz YQRQVXOQKMHPCU-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157108983 1380777983 /nfs/dbraw/zinc/77/79/83/1380777983.db2.gz FLIIMGPWONSUNF-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118979 1380779468 /nfs/dbraw/zinc/77/94/68/1380779468.db2.gz QRCMXSCUEDCABN-MSOLQXFVSA-N 2 0 343.531 3.073 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118967 1380780363 /nfs/dbraw/zinc/78/03/63/1380780363.db2.gz QGMLSMPCLVZKNK-TYFAACHXSA-N 2 0 337.552 3.290 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255789 1380824760 /nfs/dbraw/zinc/82/47/60/1380824760.db2.gz LLJJRTMYGNQKMD-LIXSYLKWSA-N 2 0 337.552 3.435 20 0 EGADRP CCC[NH+]1C[C@@H]2CN(c3ccc([C@H]4CCCC[N@@H+]4CC)cn3)C[C@H]2C1 ZINC001157698062 1381006199 /nfs/dbraw/zinc/00/61/99/1381006199.db2.gz BICCEIIOIKEXOB-VAMGGRTRSA-N 2 0 342.531 3.407 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973795 1381090196 /nfs/dbraw/zinc/09/01/96/1381090196.db2.gz PNYQRDNXHSDEQA-CEXWTWQISA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158067213 1381119521 /nfs/dbraw/zinc/11/95/21/1381119521.db2.gz XMEIFZRKMHNTCU-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158072800 1381121217 /nfs/dbraw/zinc/12/12/17/1381121217.db2.gz DJYMJYGZJVNZLP-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158098788 1381127461 /nfs/dbraw/zinc/12/74/61/1381127461.db2.gz JUBKWQSOGCYNKG-PXPVJAHISA-N 2 0 349.563 3.483 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001158624971 1381328377 /nfs/dbraw/zinc/32/83/77/1381328377.db2.gz IRZXWUPSWDDCNX-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751595 1381382448 /nfs/dbraw/zinc/38/24/48/1381382448.db2.gz ZLEGMTANUFHENZ-SLVIYJBESA-N 2 0 349.563 3.388 20 0 EGADRP [NH3+][C@H]1CCc2nc(N=C3CC[NH+](Cc4ccccc4)CC3)sc2C1 ZINC001159134927 1381637204 /nfs/dbraw/zinc/63/72/04/1381637204.db2.gz NAYAPXLHZACEOW-HNNXBMFYSA-N 2 0 340.496 3.161 20 0 EGADRP [NH3+]C1CCN(c2ncccc2Nc2ccc([C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001159261322 1381746346 /nfs/dbraw/zinc/74/63/46/1381746346.db2.gz GYMMARWKCOPZKQ-SFHVURJKSA-N 2 0 337.471 3.177 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)CCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001328413820 1388740487 /nfs/dbraw/zinc/74/04/87/1388740487.db2.gz GTDPPZICCLTCIT-SFHVURJKSA-N 2 0 345.531 3.020 20 0 EGADRP c1nn(C2C[NH2+]C2)cc1Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001159510602 1381812905 /nfs/dbraw/zinc/81/29/05/1381812905.db2.gz LXWFMDLXUWBZHC-UHFFFAOYSA-N 2 0 345.450 3.287 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001159911048 1381934520 /nfs/dbraw/zinc/93/45/20/1381934520.db2.gz XBYOJQDQVAFQFG-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909168 1381934651 /nfs/dbraw/zinc/93/46/51/1381934651.db2.gz KNJYURHVFNROBU-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP Fc1cccc(N2CC[NH2+]CC2)c1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001160063222 1381987516 /nfs/dbraw/zinc/98/75/16/1381987516.db2.gz XBYZTVZLGLNDGR-SFHVURJKSA-N 2 0 340.446 3.403 20 0 EGADRP COc1ccc2c(cc[nH+]c2NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001160109421 1381999766 /nfs/dbraw/zinc/99/97/66/1381999766.db2.gz IBFGLXNIAIKEKM-UHFFFAOYSA-N 2 0 348.450 3.265 20 0 EGADRP Fc1cccc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1N1CC[NH2+]CC1 ZINC001160115560 1382001660 /nfs/dbraw/zinc/00/16/60/1382001660.db2.gz DZHAHCWKFYXKIF-GOSISDBHSA-N 2 0 340.446 3.403 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120313 1382003408 /nfs/dbraw/zinc/00/34/08/1382003408.db2.gz LLMWZHRIKJZUAO-MJGOQNOKSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001160426552 1382100823 /nfs/dbraw/zinc/10/08/23/1382100823.db2.gz HIDFGFNGGSWCTM-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001328492218 1388762699 /nfs/dbraw/zinc/76/26/99/1388762699.db2.gz MGFFZEXEBBGKLN-INIZCTEOSA-N 2 0 329.488 3.042 20 0 EGADRP Cc1c(Cl)ccc2ccc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)nc12 ZINC001160513725 1382127671 /nfs/dbraw/zinc/12/76/71/1382127671.db2.gz PVGBXFADIMBXDT-SFHVURJKSA-N 2 0 330.863 3.032 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001160526654 1382132403 /nfs/dbraw/zinc/13/24/03/1382132403.db2.gz LMNBFZRMFSCBGY-FQEVSTJZSA-N 2 0 339.483 3.002 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567845 1382144197 /nfs/dbraw/zinc/14/41/97/1382144197.db2.gz NEFGBEUYFPXMMA-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H](C[NH3+])CN(Cc1ccccc1)c1ncccc1C[NH+]1CCCC1 ZINC001160668072 1382165356 /nfs/dbraw/zinc/16/53/56/1382165356.db2.gz RWBFKLYISAQSHY-GOSISDBHSA-N 2 0 338.499 3.279 20 0 EGADRP CC(C)(C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001160855906 1382217114 /nfs/dbraw/zinc/21/71/14/1382217114.db2.gz BPRXNLZOVBZVFV-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC001161058094 1382285853 /nfs/dbraw/zinc/28/58/53/1382285853.db2.gz MZNLOCPIJLPXDY-GOSISDBHSA-N 2 0 349.494 3.012 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133690 1382313601 /nfs/dbraw/zinc/31/36/01/1382313601.db2.gz MWQSMEOOPWGSAD-ZTBDEIDFSA-N 2 0 349.563 3.457 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161207011 1382341947 /nfs/dbraw/zinc/34/19/47/1382341947.db2.gz ORJZMOYLTSLYAQ-QGZVFWFLSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001161226866 1382348677 /nfs/dbraw/zinc/34/86/77/1382348677.db2.gz RBWWJAMZHIQXFZ-MRXNPFEDSA-N 2 0 345.531 3.063 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001161244718 1382353565 /nfs/dbraw/zinc/35/35/65/1382353565.db2.gz BTFTVKGSJZZDBI-AWEZNQCLSA-N 2 0 339.911 3.227 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1)C(C)C ZINC001161492450 1382421694 /nfs/dbraw/zinc/42/16/94/1382421694.db2.gz XBUCDRSPQYTAPW-FQEVSTJZSA-N 2 0 349.563 3.457 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688994 1382481457 /nfs/dbraw/zinc/48/14/57/1382481457.db2.gz SUCXOVISOZAOAV-NRFANRHFSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)C1 ZINC001161704660 1382485422 /nfs/dbraw/zinc/48/54/22/1382485422.db2.gz DMDRNWJNNJVWLM-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001161755003 1382495704 /nfs/dbraw/zinc/49/57/04/1382495704.db2.gz GRLDIQKKXYNYBM-GOSISDBHSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001161758819 1382497410 /nfs/dbraw/zinc/49/74/10/1382497410.db2.gz RSLYOCCUEUQMMC-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001161953603 1382569535 /nfs/dbraw/zinc/56/95/35/1382569535.db2.gz XFQXTROVZLWTAC-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC2=CC[N@@H+](C(C)C)CC2)o1 ZINC001161986886 1382589751 /nfs/dbraw/zinc/58/97/51/1382589751.db2.gz MFGQLVZBHDHEFV-UHFFFAOYSA-N 2 0 347.503 3.282 20 0 EGADRP F[C@@]1(CNc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)CCCC[NH2+]C1 ZINC001162581066 1382797954 /nfs/dbraw/zinc/79/79/54/1382797954.db2.gz XQGAAHPKTZCKRM-FQEVSTJZSA-N 2 0 331.479 3.148 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)nc1 ZINC001162807796 1382879751 /nfs/dbraw/zinc/87/97/51/1382879751.db2.gz SIRTUBIRDGFHCF-HXUWFJFHSA-N 2 0 336.483 3.496 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(-c2ccnc(Cl)c2)ccn1 ZINC001163122810 1382970758 /nfs/dbraw/zinc/97/07/58/1382970758.db2.gz QPXBXWQMEFCMQK-UHFFFAOYSA-N 2 0 346.866 3.075 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(-c2cccc(Cl)c2)ncn1 ZINC001163128574 1382971971 /nfs/dbraw/zinc/97/19/71/1382971971.db2.gz LSAVITJAQUHOTD-UHFFFAOYSA-N 2 0 346.866 3.075 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccccc1 ZINC001163242897 1383003458 /nfs/dbraw/zinc/00/34/58/1383003458.db2.gz OMIGTFQSKBMGFI-WOJBJXKFSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)CCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163243399 1383003495 /nfs/dbraw/zinc/00/34/95/1383003495.db2.gz YJWZSADOKWOUAB-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP c1[nH]c2ccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cc2c1CC[NH+]1CCCC1 ZINC001163262840 1383007779 /nfs/dbraw/zinc/00/77/79/1383007779.db2.gz LGBKLVICVZDWRT-JJXUHFIVSA-N 2 0 338.499 3.216 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001164449334 1383187851 /nfs/dbraw/zinc/18/78/51/1383187851.db2.gz IARKXUYAMMKWJA-OALUTQOASA-N 2 0 345.531 3.274 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164492249 1383193163 /nfs/dbraw/zinc/19/31/63/1383193163.db2.gz YWLXIISJUZJWNU-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531582 1383196754 /nfs/dbraw/zinc/19/67/54/1383196754.db2.gz NUQWGVCTEPEDKX-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc(C(C)(C)C)cn2)CC1 ZINC001165108802 1383229557 /nfs/dbraw/zinc/22/95/57/1383229557.db2.gz HTAQTZXFUVOUCP-GOSISDBHSA-N 2 0 331.504 3.459 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNc2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001165278211 1383264714 /nfs/dbraw/zinc/26/47/14/1383264714.db2.gz DVFKIVZDYNHAHG-QGZVFWFLSA-N 2 0 325.500 3.478 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C)cc1 ZINC001165360053 1383281944 /nfs/dbraw/zinc/28/19/44/1383281944.db2.gz LJTXCDHYNZJVIA-QGZVFWFLSA-N 2 0 333.520 3.309 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC001165465263 1383299623 /nfs/dbraw/zinc/29/96/23/1383299623.db2.gz ZYDIMZPPHVWRLN-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001165616870 1383316013 /nfs/dbraw/zinc/31/60/13/1383316013.db2.gz DHNUMBOGOXWCAI-SFHVURJKSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165926892 1383366064 /nfs/dbraw/zinc/36/60/64/1383366064.db2.gz IQVFMQMZYNTKIJ-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166390864 1383417811 /nfs/dbraw/zinc/41/78/11/1383417811.db2.gz PKOHWOGLNUBVLA-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166391406 1383418391 /nfs/dbraw/zinc/41/83/91/1383418391.db2.gz VVIVXYMOIFNCSB-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CCCc1cccc(C)c1)[NH+](CC)CC ZINC001166439656 1383422670 /nfs/dbraw/zinc/42/26/70/1383422670.db2.gz JIRMKROWTNCSLV-HXUWFJFHSA-N 2 0 347.547 3.144 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687198 1383460829 /nfs/dbraw/zinc/46/08/29/1383460829.db2.gz IMAUOPJWGHSTIA-FQQSSWHASA-N 2 0 341.515 3.041 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793408 1383478249 /nfs/dbraw/zinc/47/82/49/1383478249.db2.gz MNYCQCLOYSRYLB-ZMBJWTFHSA-N 2 0 349.563 3.341 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001166858704 1383488976 /nfs/dbraw/zinc/48/89/76/1383488976.db2.gz XZOODIYOKBGCPP-FQEVSTJZSA-N 2 0 347.547 3.165 20 0 EGADRP Cc1ccc(C[NH2+]CC2(CCNC(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001166881147 1383493030 /nfs/dbraw/zinc/49/30/30/1383493030.db2.gz ALSWXULIVVAWPK-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001167235957 1383571685 /nfs/dbraw/zinc/57/16/85/1383571685.db2.gz FCMNJHCEJWQIOR-UHFFFAOYSA-N 2 0 347.547 3.095 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1CN1CC[NH+](C2CCC2)CC1 ZINC001167387508 1383619550 /nfs/dbraw/zinc/61/95/50/1383619550.db2.gz TVNIPVAXRSGJDI-UHFFFAOYSA-N 2 0 327.516 3.343 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167522956 1383657815 /nfs/dbraw/zinc/65/78/15/1383657815.db2.gz JCYIJDBZNGEEII-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167636330 1383694842 /nfs/dbraw/zinc/69/48/42/1383694842.db2.gz SKIYWOGYDSIULN-QUCCMNQESA-N 2 0 345.531 3.415 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001167640305 1383695731 /nfs/dbraw/zinc/69/57/31/1383695731.db2.gz MGOJPMXYNQXUGF-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP Cc1[nH]c2ccc(NC3(C(=O)OC(C)(C)C)CCC([NH3+])CC3)cc2[nH+]1 ZINC001167642935 1383696466 /nfs/dbraw/zinc/69/64/66/1383696466.db2.gz FABWQVREYANPRA-UHFFFAOYSA-N 2 0 344.459 3.265 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001167812864 1383746006 /nfs/dbraw/zinc/74/60/06/1383746006.db2.gz ZVWBRXRAFXQYIK-SFHVURJKSA-N 2 0 339.568 3.277 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(NC(=O)C2CCCC2)CC1 ZINC001167824065 1383749267 /nfs/dbraw/zinc/74/92/67/1383749267.db2.gz BNAHFJLIEXYUTN-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]1[N@@H+]([C@H](C)CCC[NH+](CC)CC)CCC[C@]12CCC(=O)N2C ZINC001167823159 1383749428 /nfs/dbraw/zinc/74/94/28/1383749428.db2.gz JOKBTKXADJXKHF-HBFSDRIKSA-N 2 0 337.552 3.362 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001167826962 1383750020 /nfs/dbraw/zinc/75/00/20/1383750020.db2.gz SJWCRDWQHPEJAZ-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)NC2CCC2)CC1 ZINC001167826255 1383750257 /nfs/dbraw/zinc/75/02/57/1383750257.db2.gz NXEVNDFMJLOWOZ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2nccnc2C)C1 ZINC001167833917 1383753131 /nfs/dbraw/zinc/75/31/31/1383753131.db2.gz FWAPGLVZNQOYAO-SJLPKXTDSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccc(OC)cn2)C1 ZINC001167833907 1383753236 /nfs/dbraw/zinc/75/32/36/1383753236.db2.gz FQSSMMTZKUEVNY-MJGOQNOKSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001167835559 1383753813 /nfs/dbraw/zinc/75/38/13/1383753813.db2.gz RHHVYZRVNRUCBS-SJLPKXTDSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001167837205 1383755252 /nfs/dbraw/zinc/75/52/52/1383755252.db2.gz JFZAUFNOXDUUEG-KRWDZBQOSA-N 3 0 327.532 3.395 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001302477260 1383755346 /nfs/dbraw/zinc/75/53/46/1383755346.db2.gz QOUDCEUWKRTXEB-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001167841970 1383756782 /nfs/dbraw/zinc/75/67/82/1383756782.db2.gz VGTOAHDMWWIXDL-SFHVURJKSA-N 2 0 325.541 3.077 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1ncc(C(F)(F)F)cc1-c1ccco1 ZINC001167880360 1383764126 /nfs/dbraw/zinc/76/41/26/1383764126.db2.gz JIWNCFDECYIKES-UHFFFAOYSA-N 2 0 341.337 3.036 20 0 EGADRP COc1cc2c(cc1C)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167969009 1383782453 /nfs/dbraw/zinc/78/24/53/1383782453.db2.gz YCURNQIMLWQKCK-UDEWTMQYSA-N 2 0 340.511 3.466 20 0 EGADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](C3CCCC3)CC1)C2 ZINC001167970438 1383782661 /nfs/dbraw/zinc/78/26/61/1383782661.db2.gz LBNSGAQSNFNMOL-VCSGRIEYSA-N 2 0 331.548 3.388 20 0 EGADRP Clc1ccnc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167977908 1383785443 /nfs/dbraw/zinc/78/54/43/1383785443.db2.gz IZDDIADPYAWAMS-ALOPSCKCSA-N 2 0 335.879 3.109 20 0 EGADRP C[C@@H]1CC([NH2+]CCN2CCC(F)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025301 1383799172 /nfs/dbraw/zinc/79/91/72/1383799172.db2.gz JHLGILHKWPSCBN-QZTJIDSGSA-N 2 0 347.522 3.452 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168028905 1383800362 /nfs/dbraw/zinc/80/03/62/1383800362.db2.gz AEARBTIXFVGXKV-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168066498 1383809154 /nfs/dbraw/zinc/80/91/54/1383809154.db2.gz PDSBDILXEJDNEE-ZZEDZQHJSA-N 2 0 327.516 3.206 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CCC3CCCCCC3)CC2)C1 ZINC001168136648 1383824831 /nfs/dbraw/zinc/82/48/31/1383824831.db2.gz JOGDQFBONJNTPX-LJQANCHMSA-N 2 0 349.563 3.175 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001168300493 1383867571 /nfs/dbraw/zinc/86/75/71/1383867571.db2.gz XPSZMRLGIIFRAZ-UYSNPLJNSA-N 2 0 331.287 3.489 20 0 EGADRP CCOC(=O)CCc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC001168304773 1383868258 /nfs/dbraw/zinc/86/82/58/1383868258.db2.gz CXWIALPJJRAHSP-UHFFFAOYSA-N 2 0 332.488 3.145 20 0 EGADRP CC[C@@]1([NH2+]C2CCC([NH+](C)C)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001168311930 1383870705 /nfs/dbraw/zinc/87/07/05/1383870705.db2.gz FQCBWQQBPNMOFT-LADRWXRNSA-N 2 0 339.524 3.238 20 0 EGADRP C(O[C@@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]21)C1CC1 ZINC001168377411 1383888939 /nfs/dbraw/zinc/88/89/39/1383888939.db2.gz GPEMNRDAQLBCIX-HLAWJBBLSA-N 2 0 332.532 3.388 20 0 EGADRP Fc1ccc2c(c1)c1c(n2C2CC[NH+](CC3CC3)CC2)CC[NH2+]C1 ZINC001168387272 1383891862 /nfs/dbraw/zinc/89/18/62/1383891862.db2.gz BBZQADOZDDPFNP-UHFFFAOYSA-N 2 0 327.447 3.473 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]3CN(C4CC[NH+](CC5CC5)CC4)C[C@H]32)cc1 ZINC001168391696 1383893204 /nfs/dbraw/zinc/89/32/04/1383893204.db2.gz NOEIMDZNPMUEFC-IFMALSPDSA-N 2 0 339.527 3.067 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]CCC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168575537 1383940275 /nfs/dbraw/zinc/94/02/75/1383940275.db2.gz HFEPVBOTWGIGFA-ICSRJNTNSA-N 2 0 332.488 3.237 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC001168582787 1383941604 /nfs/dbraw/zinc/94/16/04/1383941604.db2.gz GZRXCUWLWXOPMV-QUCCMNQESA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]CC[C@H]3CCC[N@H+](C)C3)CCO2)cc1 ZINC001168591184 1383943996 /nfs/dbraw/zinc/94/39/96/1383943996.db2.gz UDLUZZYTWQOEJP-POAQFYNOSA-N 2 0 332.488 3.237 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+]C3CCC([NH+](C)C)CC3)CCO2)cc1 ZINC001168600991 1383945822 /nfs/dbraw/zinc/94/58/22/1383945822.db2.gz NHYCSIYXGJOKOW-PAQOUXTFSA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH+]3CCC(C[NH+](C)C)CC3)CCO2)cc1 ZINC001168652740 1383959432 /nfs/dbraw/zinc/95/94/32/1383959432.db2.gz JIFDJBMLOWCTFQ-QUCCMNQESA-N 2 0 332.488 3.189 20 0 EGADRP COC(=O)C1(C)CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001168744713 1383987839 /nfs/dbraw/zinc/98/78/39/1383987839.db2.gz DVUJCBMEOBWBGM-UHFFFAOYSA-N 2 0 344.499 3.494 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168825386 1384021565 /nfs/dbraw/zinc/02/15/65/1384021565.db2.gz SHTHMTPZIYRDBJ-RDJZCZTQSA-N 2 0 339.524 3.094 20 0 EGADRP CC[NH+](CC)Cc1cc(N(CC[NH3+])c2cccnc2)ccc1OC ZINC001168839195 1384028337 /nfs/dbraw/zinc/02/83/37/1384028337.db2.gz VXODEJSSURTODF-UHFFFAOYSA-N 2 0 328.460 3.029 20 0 EGADRP Cc1nccn1CCC[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001308002296 1384071129 /nfs/dbraw/zinc/07/11/29/1384071129.db2.gz CNHZHKXJCXUQFM-GOSISDBHSA-N 2 0 326.444 3.007 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001169058391 1384101995 /nfs/dbraw/zinc/10/19/95/1384101995.db2.gz HCDVXYLJXCAJCN-OAQYLSRUSA-N 2 0 331.548 3.259 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169081267 1384103986 /nfs/dbraw/zinc/10/39/86/1384103986.db2.gz PMZLEKCRXAWYCV-VIQHNZTISA-N 2 0 337.508 3.037 20 0 EGADRP Cc1c(F)cccc1CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169108531 1384108189 /nfs/dbraw/zinc/10/81/89/1384108189.db2.gz ARZLZYHKJVWRGC-OWZKRDHZSA-N 2 0 345.506 3.313 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1scnc1C ZINC001308202237 1384108649 /nfs/dbraw/zinc/10/86/49/1384108649.db2.gz AYVRNBDHUNQYQQ-UHFFFAOYSA-N 2 0 333.501 3.462 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(c3cccc(Cl)c3)CC1)C2 ZINC001169115292 1384109016 /nfs/dbraw/zinc/10/90/16/1384109016.db2.gz IFOMFLGEAARLPP-BCDXTJNWSA-N 2 0 333.907 3.215 20 0 EGADRP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117373 1384109173 /nfs/dbraw/zinc/10/91/73/1384109173.db2.gz ZLYSQWHNQFFQSA-WARAAXDBSA-N 2 0 327.516 3.384 20 0 EGADRP C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124522 1384110444 /nfs/dbraw/zinc/11/04/44/1384110444.db2.gz DMDSTPXAVRFDRS-QDMKHBRRSA-N 2 0 327.394 3.200 20 0 EGADRP Cc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc([C@H]2CCC[NH2+]C2)n1 ZINC001169145725 1384114498 /nfs/dbraw/zinc/11/44/98/1384114498.db2.gz TZRRXFKJPAVTQZ-RZQQEMMASA-N 2 0 345.535 3.208 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC001169153616 1384116310 /nfs/dbraw/zinc/11/63/10/1384116310.db2.gz KKAUWIFTFZUUAN-WKCHPHFGSA-N 3 0 333.564 3.446 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169275208 1384130626 /nfs/dbraw/zinc/13/06/26/1384130626.db2.gz OIMNBIFNWXXSRA-KKXNLOMOSA-N 2 0 344.499 3.476 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001308896527 1384157710 /nfs/dbraw/zinc/15/77/10/1384157710.db2.gz BDVLNGJMBRFAIE-GHTZIAJQSA-N 3 0 329.532 3.076 20 0 EGADRP [NH3+]CCc1cn(-c2cccc(C[NH3+])c2)c2cc(OC(F)(F)F)ccc12 ZINC001169609244 1384164257 /nfs/dbraw/zinc/16/42/57/1384164257.db2.gz ROLLMVLVENOTIT-UHFFFAOYSA-N 2 0 349.356 3.489 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001169659340 1384169989 /nfs/dbraw/zinc/16/99/89/1384169989.db2.gz SNUYWPXLDZFZSV-TXPKVOOTSA-N 2 0 339.524 3.131 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169799943 1384187419 /nfs/dbraw/zinc/18/74/19/1384187419.db2.gz YSHFEZSINSUIJZ-AZUAARDMSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169810596 1384188078 /nfs/dbraw/zinc/18/80/78/1384188078.db2.gz RGGZCCQOEDKTNB-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@]12CC3([NH3+])CC([NH2+][C@H]4CCCC5(C4)OCCO5)(C1)C[C@](C)(C3)C2 ZINC001169922395 1384198950 /nfs/dbraw/zinc/19/89/50/1384198950.db2.gz DGFXQAGJKQQBFP-UPMGZUDPSA-N 2 0 334.504 3.092 20 0 EGADRP CC(C)C[NH+]1CCC(C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169984023 1384211131 /nfs/dbraw/zinc/21/11/31/1384211131.db2.gz BIAIQCAJYYNGRG-UHFFFAOYSA-N 2 0 325.541 3.355 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccnc(N3CCCCC3)c2)CC1 ZINC001311247019 1384269787 /nfs/dbraw/zinc/26/97/87/1384269787.db2.gz GVKWAGHBDALVAK-MRXNPFEDSA-N 2 0 345.491 3.020 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CCO[C@H](CC)C2)CC1 ZINC001170236217 1384272839 /nfs/dbraw/zinc/27/28/39/1384272839.db2.gz CQDJPODBFQSXOJ-VQTJNVASSA-N 2 0 339.568 3.074 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2cccc(CN3CC[C@@H]([NH3+])C3)c2)CC1(C)C ZINC001170453883 1384322913 /nfs/dbraw/zinc/32/29/13/1384322913.db2.gz OPLJFNUBOOUXPQ-QGZVFWFLSA-N 2 0 344.547 3.283 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476097 1384326880 /nfs/dbraw/zinc/32/68/80/1384326880.db2.gz CLRMOMALLYNAIV-ZOFXXKQRSA-N 2 0 339.524 3.413 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001170741352 1384376005 /nfs/dbraw/zinc/37/60/05/1384376005.db2.gz DWVMHGIDNPZZKK-ICSRJNTNSA-N 2 0 345.531 3.324 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001170741353 1384376165 /nfs/dbraw/zinc/37/61/65/1384376165.db2.gz DWVMHGIDNPZZKK-QUCCMNQESA-N 2 0 345.531 3.324 20 0 EGADRP c1ccc(C[C@@H](C[NH+]2CCCC2)Nc2cccc3c2C[NH2+]CC3)cc1 ZINC001170752343 1384378921 /nfs/dbraw/zinc/37/89/21/1384378921.db2.gz ODYUCYLAUMVHPZ-FQEVSTJZSA-N 2 0 335.495 3.451 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001170784159 1384384632 /nfs/dbraw/zinc/38/46/32/1384384632.db2.gz FNLQOUASTADORL-QUCCMNQESA-N 2 0 345.531 3.498 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170819712 1384391428 /nfs/dbraw/zinc/39/14/28/1384391428.db2.gz OGTZDLXWNNLJHG-GIWCCYDRSA-N 2 0 345.531 3.306 20 0 EGADRP CC/C=C/CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170868166 1384401325 /nfs/dbraw/zinc/40/13/25/1384401325.db2.gz PWIXMZVPCZXYNM-OVKVCFKUSA-N 2 0 331.504 3.132 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC001170868214 1384401481 /nfs/dbraw/zinc/40/14/81/1384401481.db2.gz QYOQSSKDAYQFHS-QUCCMNQESA-N 2 0 347.547 3.458 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170870822 1384401957 /nfs/dbraw/zinc/40/19/57/1384401957.db2.gz KAOIIUAIXVAYRC-HOHRJFBBSA-N 2 0 337.552 3.338 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170871662 1384402326 /nfs/dbraw/zinc/40/23/26/1384402326.db2.gz QLCCUDJBGNMGMV-NZSAHSFTSA-N 2 0 339.568 3.418 20 0 EGADRP Clc1cccc2c1CC[C@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001171033617 1384433523 /nfs/dbraw/zinc/43/35/23/1384433523.db2.gz ORFDUXSXVRCWNP-KRWDZBQOSA-N 2 0 327.859 3.415 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171098385 1384445457 /nfs/dbraw/zinc/44/54/57/1384445457.db2.gz DAWLLDNIFPCNRW-LJQANCHMSA-N 2 0 336.907 3.288 20 0 EGADRP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001316607025 1384476047 /nfs/dbraw/zinc/47/60/47/1384476047.db2.gz YUOGQIUQTYYIDU-QUCCMNQESA-N 2 0 345.531 3.183 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001171236133 1384476696 /nfs/dbraw/zinc/47/66/96/1384476696.db2.gz LHJXWNKAZKDINH-PKOBYXMFSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171238893 1384476973 /nfs/dbraw/zinc/47/69/73/1384476973.db2.gz ZBYSRTODFRQSIO-MOPGFXCFSA-N 2 0 339.568 3.275 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247937 1384477716 /nfs/dbraw/zinc/47/77/16/1384477716.db2.gz PEJBAYVDDNQGGR-AEFFLSMTSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C2CC2)[NH+](C)C)cc1 ZINC001171254538 1384479833 /nfs/dbraw/zinc/47/98/33/1384479833.db2.gz TYTGBRDXZSXMDE-PXNSSMCTSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001171261196 1384481655 /nfs/dbraw/zinc/48/16/55/1384481655.db2.gz RLITYMWDEJBBCS-ZWKOTPCHSA-N 2 0 345.531 3.497 20 0 EGADRP C[NH+](C)Cc1c[nH]c2nccc(-n3c(CC[NH3+])cc4ccccc43)c12 ZINC001171304271 1384490237 /nfs/dbraw/zinc/49/02/37/1384490237.db2.gz PFZZVLZFYXCNFC-UHFFFAOYSA-N 2 0 333.439 3.070 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001316630836 1384494041 /nfs/dbraw/zinc/49/40/41/1384494041.db2.gz ZGZJEPJAQVHGBH-NCXUSEDFSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@H]2C1 ZINC001171325853 1384495184 /nfs/dbraw/zinc/49/51/84/1384495184.db2.gz FGMPUWXFNGZQOA-OAGGEKHMSA-N 2 0 348.918 3.480 20 0 EGADRP c1[nH]c2ccc(NC[C@H]3CCCC[NH2+]3)cc2c1CC[NH+]1CCCC1 ZINC001171335607 1384496487 /nfs/dbraw/zinc/49/64/87/1384496487.db2.gz ZCFDCVTUHOLIOC-GOSISDBHSA-N 2 0 326.488 3.360 20 0 EGADRP [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001171401837 1384513115 /nfs/dbraw/zinc/51/31/15/1384513115.db2.gz YZULRYWNPWPIND-GOSISDBHSA-N 2 0 349.478 3.112 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171443670 1384524842 /nfs/dbraw/zinc/52/48/42/1384524842.db2.gz AQOJDLBCHDURJG-KRWDZBQOSA-N 2 0 325.431 3.209 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171547534 1384559431 /nfs/dbraw/zinc/55/94/31/1384559431.db2.gz UVVJCXZTJNJHBL-SJLPKXTDSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001171586592 1384572374 /nfs/dbraw/zinc/57/23/74/1384572374.db2.gz QFZGHYODFLMVTP-GOSISDBHSA-N 2 0 347.547 3.224 20 0 EGADRP COc1ccc2c(c1)OC[C@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171629702 1384585867 /nfs/dbraw/zinc/58/58/67/1384585867.db2.gz CURLIYNNQKXUGF-HNNXBMFYSA-N 2 0 346.515 3.487 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC1(C)C ZINC001171638451 1384588095 /nfs/dbraw/zinc/58/80/95/1384588095.db2.gz YGPZVNPYGGRGMP-KRWDZBQOSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H]1[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171637749 1384588128 /nfs/dbraw/zinc/58/81/28/1384588128.db2.gz OHCTUCXHPPYOIU-JXFKEZNVSA-N 2 0 335.536 3.161 20 0 EGADRP COC(=O)c1ccc2c(c1)CN(C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171639998 1384588699 /nfs/dbraw/zinc/58/86/99/1384588699.db2.gz YGECATJKNBVUGG-UHFFFAOYSA-N 2 0 344.499 3.483 20 0 EGADRP CN(C1CN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639923 1384588749 /nfs/dbraw/zinc/58/87/49/1384588749.db2.gz VKRSICPHRKQDEH-UHFFFAOYSA-N 2 0 339.524 3.189 20 0 EGADRP Cc1cncnc1O[C@@H]1CCC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641906 1384589941 /nfs/dbraw/zinc/58/99/41/1384589941.db2.gz VQGMBCGWNOQOHL-QGZVFWFLSA-N 2 0 346.519 3.280 20 0 EGADRP CCc1nnc(C2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)o1 ZINC001171642700 1384590564 /nfs/dbraw/zinc/59/05/64/1384590564.db2.gz LQAMFKQKYGBJDB-UHFFFAOYSA-N 2 0 334.508 3.463 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001171731368 1384617299 /nfs/dbraw/zinc/61/72/99/1384617299.db2.gz FDSZNGHMULHBSE-SFHVURJKSA-N 2 0 337.483 3.105 20 0 EGADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CN1Cc1ccccc1 ZINC001171739740 1384620749 /nfs/dbraw/zinc/62/07/49/1384620749.db2.gz GARXYAASIQKNIJ-HMXCVIKNSA-N 2 0 329.532 3.490 20 0 EGADRP C[C@@H]1C[C@H](N2CC[NH+](CC3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171763201 1384628380 /nfs/dbraw/zinc/62/83/80/1384628380.db2.gz OTKIATNODJLMBE-KNQAVFIVSA-N 2 0 341.543 3.457 20 0 EGADRP CC(C)N([C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171766737 1384630269 /nfs/dbraw/zinc/63/02/69/1384630269.db2.gz HCBIOLSCOWQVEH-GHTZIAJQSA-N 2 0 329.532 3.454 20 0 EGADRP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171784727 1384635584 /nfs/dbraw/zinc/63/55/84/1384635584.db2.gz GRPJOBQOJKZIAS-KRWDZBQOSA-N 2 0 328.406 3.382 20 0 EGADRP Cc1c[nH+]ccc1N([C@@H]1Cc2cccc(F)c2C1)C1CC[NH2+]CC1 ZINC001171812141 1384646303 /nfs/dbraw/zinc/64/63/03/1384646303.db2.gz LHEDDZJXDBHCOW-QGZVFWFLSA-N 2 0 325.431 3.255 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001316880972 1384666235 /nfs/dbraw/zinc/66/62/35/1384666235.db2.gz OVSRERGAALQZHQ-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171918894 1384682289 /nfs/dbraw/zinc/68/22/89/1384682289.db2.gz TYSZHVIEOONFQO-KRWDZBQOSA-N 2 0 325.541 3.316 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931882 1384687034 /nfs/dbraw/zinc/68/70/34/1384687034.db2.gz XDKAUSHTVLUZDB-KRWDZBQOSA-N 2 0 325.541 3.316 20 0 EGADRP CCOC(=O)C1(C)CCC([NH+]2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001171957508 1384695720 /nfs/dbraw/zinc/69/57/20/1384695720.db2.gz QYXFDSQFNNYZIK-UHFFFAOYSA-N 2 0 345.487 3.024 20 0 EGADRP CCN1CC[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172029958 1384711738 /nfs/dbraw/zinc/71/17/38/1384711738.db2.gz GMNSCQNLGHSISF-FHWLQOOXSA-N 2 0 335.536 3.150 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CCCC24COC4)C3)cc1 ZINC001172075376 1384719298 /nfs/dbraw/zinc/71/92/98/1384719298.db2.gz QHJBCWRAOCUEMJ-ACDBMABISA-N 2 0 326.484 3.437 20 0 EGADRP C[NH+](C)C1(C)CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172076316 1384720947 /nfs/dbraw/zinc/72/09/47/1384720947.db2.gz XTOSSVVEZWTHSR-PMOLBWCYSA-N 2 0 327.516 3.208 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3ccc(F)cc3)CC1)C2 ZINC001172115228 1384731279 /nfs/dbraw/zinc/73/12/79/1384731279.db2.gz SKABBYOKLFPQBV-REPLKXPHSA-N 2 0 331.479 3.091 20 0 EGADRP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC001172119395 1384732508 /nfs/dbraw/zinc/73/25/08/1384732508.db2.gz VBDHNDHCTICJPB-CPDPWVEUSA-N 2 0 343.515 3.252 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121648 1384735070 /nfs/dbraw/zinc/73/50/70/1384735070.db2.gz RQOQNOVQYRYNPN-XLSPSMHOSA-N 2 0 349.519 3.087 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001172127112 1384736231 /nfs/dbraw/zinc/73/62/31/1384736231.db2.gz GXQSPBNAIFUHPK-ITBHCLRTSA-N 2 0 339.527 3.208 20 0 EGADRP Cc1cccc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172132816 1384737863 /nfs/dbraw/zinc/73/78/63/1384737863.db2.gz OLUAQFSAMGAVPU-MANSERQUSA-N 2 0 329.488 3.249 20 0 EGADRP COCCCN1CCC([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172250254 1384756163 /nfs/dbraw/zinc/75/61/63/1384756163.db2.gz VNEVHHAZLAFLDU-UAPYVXQJSA-N 2 0 337.552 3.002 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172335363 1384773475 /nfs/dbraw/zinc/77/34/75/1384773475.db2.gz JPFKQSZQUHKIFD-MSOLQXFVSA-N 2 0 333.520 3.477 20 0 EGADRP COc1ccccc1CC1([NH3+])CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172469433 1384800017 /nfs/dbraw/zinc/80/00/17/1384800017.db2.gz SVGWJSNQBSTQSK-SFHVURJKSA-N 2 0 348.531 3.482 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001172586287 1384815883 /nfs/dbraw/zinc/81/58/83/1384815883.db2.gz GUAOBOPKJCNSHO-RBUKOAKNSA-N 2 0 330.472 3.104 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172757174 1384844962 /nfs/dbraw/zinc/84/49/62/1384844962.db2.gz UIIRYVWYNZCVGG-MJGOQNOKSA-N 2 0 332.488 3.218 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172758660 1384845330 /nfs/dbraw/zinc/84/53/30/1384845330.db2.gz JCHTXIJOKUHBMU-DFQSSKMNSA-N 2 0 344.499 3.171 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001172776440 1384849723 /nfs/dbraw/zinc/84/97/23/1384849723.db2.gz GCQHNZUFHLJARL-MOPGFXCFSA-N 2 0 336.520 3.210 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001172794731 1384853823 /nfs/dbraw/zinc/85/38/23/1384853823.db2.gz GATMESQDFFATMT-YRXWBPOGSA-N 2 0 336.520 3.447 20 0 EGADRP CO[C@H]1CCC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001172942394 1384884711 /nfs/dbraw/zinc/88/47/11/1384884711.db2.gz OURVHINMCPMPIQ-UXHICEINSA-N 2 0 343.515 3.327 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC001172952563 1384888389 /nfs/dbraw/zinc/88/83/89/1384888389.db2.gz GQPBODOBTBPTAP-IAGOWNOFSA-N 2 0 341.540 3.486 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001172960674 1384890713 /nfs/dbraw/zinc/89/07/13/1384890713.db2.gz XKOYZYAQBFGESA-OAHLLOKOSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001173101939 1384914581 /nfs/dbraw/zinc/91/45/81/1384914581.db2.gz PWFOZEKWPSMPDH-OFLPRAFFSA-N 2 0 339.524 3.238 20 0 EGADRP CCOC(=O)C[C@@H]([NH2+]C1CCC([NH+](CC)CC)CC1)c1cccnc1 ZINC001173102836 1384914776 /nfs/dbraw/zinc/91/47/76/1384914776.db2.gz BUTWTAPDPPNQBK-CTWPCTMYSA-N 2 0 347.503 3.319 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001173103535 1384915750 /nfs/dbraw/zinc/91/57/50/1384915750.db2.gz LBYMHEOTVYQPAD-UHFFFAOYSA-N 2 0 339.524 3.286 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001173108027 1384916531 /nfs/dbraw/zinc/91/65/31/1384916531.db2.gz BTVWUZUTCNQSJI-UHFFFAOYSA-N 2 0 339.524 3.192 20 0 EGADRP CC[NH+](CC)C1CCC(n2nc(C(F)(F)F)c3c2CC[NH2+]C3)CC1 ZINC001173113590 1384917553 /nfs/dbraw/zinc/91/75/53/1384917553.db2.gz VXEXWXHXIKOVLM-UHFFFAOYSA-N 2 0 344.425 3.373 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)CC1 ZINC001173113988 1384917962 /nfs/dbraw/zinc/91/79/62/1384917962.db2.gz RAPBPWZARQGLMM-DAWZGUTISA-N 2 0 347.503 3.196 20 0 EGADRP c1ccc(OC2CCC([NH2+]CC3CC[NH+](C4COC4)CC3)CC2)cc1 ZINC001173202433 1384935783 /nfs/dbraw/zinc/93/57/83/1384935783.db2.gz QZUDLTJBIDMMDI-UHFFFAOYSA-N 2 0 344.499 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CCCC2CCC2)CC1 ZINC001317176763 1384949062 /nfs/dbraw/zinc/94/90/62/1384949062.db2.gz OJXPFYLFVMXVID-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317190899 1384964628 /nfs/dbraw/zinc/96/46/28/1384964628.db2.gz ZINQEPPUKMQHSI-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001317192543 1384966716 /nfs/dbraw/zinc/96/67/16/1384966716.db2.gz FRMFEQWGEPJBAS-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173412611 1384967866 /nfs/dbraw/zinc/96/78/66/1384967866.db2.gz SVDLXABSPDCLOA-GOSISDBHSA-N 2 0 349.906 3.019 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001173630643 1384992095 /nfs/dbraw/zinc/99/20/95/1384992095.db2.gz AKNOTHNPHDFNLF-OALUTQOASA-N 2 0 344.499 3.144 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001173658608 1384998335 /nfs/dbraw/zinc/99/83/35/1384998335.db2.gz RATSEGCDADJLDP-YJBOKZPZSA-N 2 0 340.483 3.007 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[N@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173715334 1385007996 /nfs/dbraw/zinc/00/79/96/1385007996.db2.gz VCZKJAUGFBYYHU-SNRMKQJTSA-N 2 0 332.488 3.385 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317322757 1385081383 /nfs/dbraw/zinc/08/13/83/1385081383.db2.gz PZGXLJTUHOTOCT-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001317362864 1385105141 /nfs/dbraw/zinc/10/51/41/1385105141.db2.gz HVIFERPLZFDXJL-PMACEKPBSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649084 1385130036 /nfs/dbraw/zinc/13/00/36/1385130036.db2.gz AETODEDGMBUABC-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649988 1385130298 /nfs/dbraw/zinc/13/02/98/1385130298.db2.gz MQSFZWNMKXKGDM-ADKAHSJRSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+][C@H]1CCc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001174962997 1385175448 /nfs/dbraw/zinc/17/54/48/1385175448.db2.gz WROWMRGCOAMONT-PXNSSMCTSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)CC[NH+](C)C ZINC001175049880 1385186411 /nfs/dbraw/zinc/18/64/11/1385186411.db2.gz YYLMXGICPLFBMP-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256891 1385230562 /nfs/dbraw/zinc/23/05/62/1385230562.db2.gz PVZJCEMHQJPUIP-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263680 1385233335 /nfs/dbraw/zinc/23/33/35/1385233335.db2.gz QIJWKUCTTOGYIF-SJORKVTESA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264788 1385234674 /nfs/dbraw/zinc/23/46/74/1385234674.db2.gz WCCYMXVNLCSFJQ-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001175305821 1385246454 /nfs/dbraw/zinc/24/64/54/1385246454.db2.gz RBDRKPUHGFHLAX-WMZOPIPTSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC001175315373 1385250041 /nfs/dbraw/zinc/25/00/41/1385250041.db2.gz FJSRFPJJMLGFGT-ICSRJNTNSA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001175571442 1385334575 /nfs/dbraw/zinc/33/45/75/1385334575.db2.gz BJSMUUWVXIHLLZ-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@H](CC)c2ccccc2)C1 ZINC001317623135 1385358330 /nfs/dbraw/zinc/35/83/30/1385358330.db2.gz LCBPKZHXNAINCH-VQTJNVASSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175731039 1385388729 /nfs/dbraw/zinc/38/87/29/1385388729.db2.gz QPAAOOPXVIUUKU-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001175787346 1385405661 /nfs/dbraw/zinc/40/56/61/1385405661.db2.gz UQYZWUPMVBXHJF-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)CC1 ZINC001175967780 1385447802 /nfs/dbraw/zinc/44/78/02/1385447802.db2.gz OBODRQWJLNHLCK-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176022911 1385463562 /nfs/dbraw/zinc/46/35/62/1385463562.db2.gz DCMRZMXRCFMZBK-ROUUACIJSA-N 2 0 333.520 3.354 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC001176117934 1385488695 /nfs/dbraw/zinc/48/86/95/1385488695.db2.gz FXMIBKSJARNTGX-KRWDZBQOSA-N 2 0 339.483 3.093 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176167027 1385500826 /nfs/dbraw/zinc/50/08/26/1385500826.db2.gz WFHWVBZBWHYLLC-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176167028 1385500955 /nfs/dbraw/zinc/50/09/55/1385500955.db2.gz WFHWVBZBWHYLLC-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165786 1385500964 /nfs/dbraw/zinc/50/09/64/1385500964.db2.gz OSABHXDQEIBIBJ-HKUYNNGSSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165244 1385501065 /nfs/dbraw/zinc/50/10/65/1385501065.db2.gz KGGAFHUZJFNXBO-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317805130 1385502549 /nfs/dbraw/zinc/50/25/49/1385502549.db2.gz JAVDFFKBSMJCMB-PKOBYXMFSA-N 2 0 345.531 3.236 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192353 1385507343 /nfs/dbraw/zinc/50/73/43/1385507343.db2.gz ISQAFLNQERYKBW-MRXNPFEDSA-N 2 0 348.535 3.462 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)CCCC[NH+](C)C ZINC001176231293 1385521781 /nfs/dbraw/zinc/52/17/81/1385521781.db2.gz SWKDEUSZJRSRSV-ADKAHSJRSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564197 1385626571 /nfs/dbraw/zinc/62/65/71/1385626571.db2.gz MVQVHHZYIWRBJW-PKOBYXMFSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001176564850 1385626735 /nfs/dbraw/zinc/62/67/35/1385626735.db2.gz RXVPNTYBYPXQDK-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629382 1385643416 /nfs/dbraw/zinc/64/34/16/1385643416.db2.gz WPIBJFIHENNYNH-VGMNTSGFSA-N 2 0 343.943 3.270 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CCC[NH+]1CCCC1 ZINC001176729043 1385675126 /nfs/dbraw/zinc/67/51/26/1385675126.db2.gz VPGTUCSLFYAZOX-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176736809 1385676683 /nfs/dbraw/zinc/67/66/83/1385676683.db2.gz FNOQNJRWXKULQK-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001176752940 1385683318 /nfs/dbraw/zinc/68/33/18/1385683318.db2.gz BFUIZGZGCOJFJL-LJQANCHMSA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176753687 1385683707 /nfs/dbraw/zinc/68/37/07/1385683707.db2.gz KOLONRNLRRCMTH-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753361 1385684362 /nfs/dbraw/zinc/68/43/62/1385684362.db2.gz GTWCYTFFTLEXHY-OALUTQOASA-N 2 0 339.568 3.418 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318484857 1385717425 /nfs/dbraw/zinc/71/74/25/1385717425.db2.gz ZTMUMVONXLJHLW-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001176996819 1385768203 /nfs/dbraw/zinc/76/82/03/1385768203.db2.gz FRNUSCBGGVYTNK-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001176997289 1385768209 /nfs/dbraw/zinc/76/82/09/1385768209.db2.gz JSRWSUYJLDBWBE-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP C[N@H+](CCC(=O)NC1(C[NH2+]CC2CCC2)CCCC1)C1CCCCC1 ZINC001318644664 1385813103 /nfs/dbraw/zinc/81/31/03/1385813103.db2.gz JFIJLFRFXGVMFL-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+](C)CCCC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177402392 1385944312 /nfs/dbraw/zinc/94/43/12/1385944312.db2.gz LEAGCMCYHBEVIB-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](C(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1)[NH+](C)C ZINC001177416037 1385948801 /nfs/dbraw/zinc/94/88/01/1385948801.db2.gz RVPBLXCKEIXROU-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001177433304 1385954504 /nfs/dbraw/zinc/95/45/04/1385954504.db2.gz AZHDJHMBLLALDC-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)N1CCC2(CC[NH+](CC3CCC3)C2)CC1)CC(C)(C)C ZINC001319144659 1385978328 /nfs/dbraw/zinc/97/83/28/1385978328.db2.gz JDFCJGAKMFJROM-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(Cl)c3F)CC2)CC1 ZINC001177570931 1385999486 /nfs/dbraw/zinc/99/94/86/1385999486.db2.gz OJOXFIQAGJQRJR-UHFFFAOYSA-N 2 0 339.886 3.127 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001178045750 1386115708 /nfs/dbraw/zinc/11/57/08/1386115708.db2.gz UMUICFJDSGYQTJ-VQIMIIECSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1F ZINC001178294832 1386182325 /nfs/dbraw/zinc/18/23/25/1386182325.db2.gz CGXWORQNOOCZRH-FQEVSTJZSA-N 2 0 342.458 3.381 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCCC2CCC2)CC[N@@H+]1C ZINC001178523345 1386241274 /nfs/dbraw/zinc/24/12/74/1386241274.db2.gz WDBYSDWHKMIYJH-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178634242 1386265273 /nfs/dbraw/zinc/26/52/73/1386265273.db2.gz PZGUQKSJCBQITD-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178634529 1386266266 /nfs/dbraw/zinc/26/62/66/1386266266.db2.gz YJGMQAUQHSLQKD-SFFCAUCYSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178705112 1386283855 /nfs/dbraw/zinc/28/38/55/1386283855.db2.gz FAUTXEKBYLBIJR-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCC1 ZINC001178705364 1386283874 /nfs/dbraw/zinc/28/38/74/1386283874.db2.gz NRXYRABVPVADBN-CEXWTWQISA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707714 1386285269 /nfs/dbraw/zinc/28/52/69/1386285269.db2.gz NSCUUPQABXEWRE-SCTDSRPQSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178811698 1386315316 /nfs/dbraw/zinc/31/53/16/1386315316.db2.gz ZBXOXOCQRDDLLR-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001178815954 1386315909 /nfs/dbraw/zinc/31/59/09/1386315909.db2.gz PRDGQOSIZOAHAW-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001178827913 1386320239 /nfs/dbraw/zinc/32/02/39/1386320239.db2.gz OJMJKBPYLHADOL-IBGZPJMESA-N 2 0 349.494 3.076 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178832105 1386321236 /nfs/dbraw/zinc/32/12/36/1386321236.db2.gz DNVRLOWERWCPTN-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001178853726 1386329445 /nfs/dbraw/zinc/32/94/45/1386329445.db2.gz PUCHZJCNQQISEY-UHFFFAOYSA-N 2 0 347.547 3.492 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178853656 1386329588 /nfs/dbraw/zinc/32/95/88/1386329588.db2.gz MXWHPYQDJFJNHV-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178946984 1386357239 /nfs/dbraw/zinc/35/72/39/1386357239.db2.gz ALKJLIRLYNRBBY-UHFFFAOYSA-N 2 0 328.460 3.180 20 0 EGADRP C[N@H+](CCC(=O)NCCCCCC[NH2+]CCCF)C1CCCCC1 ZINC001179134741 1386408107 /nfs/dbraw/zinc/40/81/07/1386408107.db2.gz SSRSZMQJMDOQAR-UHFFFAOYSA-N 2 0 343.531 3.267 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179361513 1386463308 /nfs/dbraw/zinc/46/33/08/1386463308.db2.gz IDONUWYEPBDDFL-IBGZPJMESA-N 2 0 337.552 3.458 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179398686 1386475143 /nfs/dbraw/zinc/47/51/43/1386475143.db2.gz MHTURVUZSWJWBH-OTWHNJEPSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001179439059 1386483237 /nfs/dbraw/zinc/48/32/37/1386483237.db2.gz DXSDHKAFHDVFNR-WDSOQIARSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1cc(C)ccc1C)C1CC1)[NH+](C)C ZINC001698648808 1406298217 /nfs/dbraw/zinc/29/82/17/1406298217.db2.gz IJLCGIJTBFXSAL-FPOVZHCZSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001179461637 1386487737 /nfs/dbraw/zinc/48/77/37/1386487737.db2.gz UGDLZIIGHGAASA-GOSISDBHSA-N 2 0 345.531 3.356 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001179463696 1386487961 /nfs/dbraw/zinc/48/79/61/1386487961.db2.gz HNKWINCGPMCMHK-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc2c[nH+]cn21 ZINC001320101254 1386513120 /nfs/dbraw/zinc/51/31/20/1386513120.db2.gz BTSOLMZDZDJEST-GDBMZVCRSA-N 2 0 340.471 3.026 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001179564919 1386515965 /nfs/dbraw/zinc/51/59/65/1386515965.db2.gz KAXLRPWALLRFDH-MSOLQXFVSA-N 2 0 327.557 3.419 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179580308 1386521677 /nfs/dbraw/zinc/52/16/77/1386521677.db2.gz DKFQQVASEQPPCK-SFHVURJKSA-N 2 0 335.536 3.237 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580857 1386522310 /nfs/dbraw/zinc/52/23/10/1386522310.db2.gz STIHUQMVEAAOFW-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001179585692 1386523796 /nfs/dbraw/zinc/52/37/96/1386523796.db2.gz JLQYCGAAEULXAL-LJQANCHMSA-N 2 0 345.531 3.103 20 0 EGADRP C[C@@H](C(=O)NCCCCCC[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001179746062 1386570331 /nfs/dbraw/zinc/57/03/31/1386570331.db2.gz NIODYDLYSHUFNW-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749698 1386571567 /nfs/dbraw/zinc/57/15/67/1386571567.db2.gz QMBFBDPRHFMYGI-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749595 1386571673 /nfs/dbraw/zinc/57/16/73/1386571673.db2.gz LOSWVBDYHSYPNF-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[NH+](CC)CC)[C@H]2C)cc1 ZINC001179763023 1386575113 /nfs/dbraw/zinc/57/51/13/1386575113.db2.gz FYDDEFUXCUZBTE-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCCCCC[NH2+]CC(C)C)C(C)C ZINC001179842995 1386604336 /nfs/dbraw/zinc/60/43/36/1386604336.db2.gz LIVDOLHNBMTQKP-GOSISDBHSA-N 2 0 327.557 3.275 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179850538 1386607565 /nfs/dbraw/zinc/60/75/65/1386607565.db2.gz GLPRPPVTLREWMS-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001179968429 1386652045 /nfs/dbraw/zinc/65/20/45/1386652045.db2.gz VDOMHRQUMDZVCA-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H]1C ZINC001179978902 1386656804 /nfs/dbraw/zinc/65/68/04/1386656804.db2.gz MQMOFSZMZBSPMP-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001179983284 1386658215 /nfs/dbraw/zinc/65/82/15/1386658215.db2.gz UAQYIIZHHFVVIF-ICSRJNTNSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001180039614 1386676821 /nfs/dbraw/zinc/67/68/21/1386676821.db2.gz DRCMQUAFDMZLTF-FQEVSTJZSA-N 2 0 333.520 3.138 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CC2CCCCC2)C1 ZINC001180064946 1386685278 /nfs/dbraw/zinc/68/52/78/1386685278.db2.gz BBRKIKXKJNCVBJ-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001180072382 1386687638 /nfs/dbraw/zinc/68/76/38/1386687638.db2.gz RNEAHXVMOUPZOM-GOSISDBHSA-N 2 0 343.515 3.110 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001180121777 1386704006 /nfs/dbraw/zinc/70/40/06/1386704006.db2.gz WEITUQLLJBBRFJ-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180204423 1386731875 /nfs/dbraw/zinc/73/18/75/1386731875.db2.gz RDVKDKQIKANPHN-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1F ZINC001180264991 1386750566 /nfs/dbraw/zinc/75/05/66/1386750566.db2.gz MDQYFLOCINFJEY-IAGOWNOFSA-N 2 0 349.494 3.105 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180272503 1386751008 /nfs/dbraw/zinc/75/10/08/1386751008.db2.gz GUSQGRJKXUDYNB-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272499 1386751019 /nfs/dbraw/zinc/75/10/19/1386751019.db2.gz GRXFUDNTTGOYNY-DHJFXDNESA-N 2 0 335.536 3.188 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272330 1386751118 /nfs/dbraw/zinc/75/11/18/1386751118.db2.gz AWGSBQLIQGTOAI-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCCCCC[NH2+]CCC1CC1 ZINC001180294716 1386757950 /nfs/dbraw/zinc/75/79/50/1386757950.db2.gz SQFADHYJFJDQMO-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001321642824 1386947263 /nfs/dbraw/zinc/94/72/63/1386947263.db2.gz XWPLYMAKQLURJX-IAGOWNOFSA-N 2 0 345.531 3.307 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001321757048 1386976483 /nfs/dbraw/zinc/97/64/83/1386976483.db2.gz UITUBJSLROIJEX-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755229 1387050806 /nfs/dbraw/zinc/05/08/06/1387050806.db2.gz KRUXVFVKOSWFRS-NFSLTLIOSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001181793669 1387056193 /nfs/dbraw/zinc/05/61/93/1387056193.db2.gz YYRWGTZYDSQLJK-XRPLEBEVSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001181867338 1387066973 /nfs/dbraw/zinc/06/69/73/1387066973.db2.gz UAWMBQHAMFVMIZ-FQEVSTJZSA-N 2 0 345.531 3.452 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181884994 1387071306 /nfs/dbraw/zinc/07/13/06/1387071306.db2.gz OEDZVQVPQUIKAQ-HIJHPLRSSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001322175321 1387088829 /nfs/dbraw/zinc/08/88/29/1387088829.db2.gz JQXJHYPXGKYCEI-QGZVFWFLSA-N 2 0 345.531 3.231 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC001181997447 1387089632 /nfs/dbraw/zinc/08/96/32/1387089632.db2.gz ZZEIVVGFRADVNQ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007801 1387093793 /nfs/dbraw/zinc/09/37/93/1387093793.db2.gz ZXSVNVDPJFUZKH-YHTLKTDXSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001322248986 1387120796 /nfs/dbraw/zinc/12/07/96/1387120796.db2.gz NGEXCDITPDMLCH-UZLBHIALSA-N 2 0 341.499 3.117 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182231875 1387126750 /nfs/dbraw/zinc/12/67/50/1387126750.db2.gz BSAJYLJNBFIFOJ-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623704 1387198140 /nfs/dbraw/zinc/19/81/40/1387198140.db2.gz SBQQCBVFIGKYGQ-SSPLKJMRSA-N 2 0 349.563 3.149 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@H+](CC)C2)c1 ZINC001329225790 1389028092 /nfs/dbraw/zinc/02/80/92/1389028092.db2.gz MOOBSIZVDIWIPK-HNNXBMFYSA-N 2 0 348.491 3.152 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491569 1389131030 /nfs/dbraw/zinc/13/10/30/1389131030.db2.gz UTMMFOYPCUMEBJ-UHFFFAOYSA-N 2 0 347.528 3.203 20 0 EGADRP C[NH+](C)Cc1ccccc1C[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC001336722738 1389146943 /nfs/dbraw/zinc/14/69/43/1389146943.db2.gz MAMICFJRTDJVMX-UHFFFAOYSA-N 2 0 329.419 3.006 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC001336785282 1389168999 /nfs/dbraw/zinc/16/89/99/1389168999.db2.gz NHODQVDIIWQYTK-LRDDRELGSA-N 2 0 328.859 3.223 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]2C1 ZINC001336888615 1389196686 /nfs/dbraw/zinc/19/66/86/1389196686.db2.gz KNFDDVOJLUAUOX-IIAWOOMASA-N 2 0 330.501 3.300 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC001337108175 1389255109 /nfs/dbraw/zinc/25/51/09/1389255109.db2.gz DYJFYRUFSVEFLU-HIFRSBDPSA-N 2 0 325.522 3.023 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001338491653 1389694596 /nfs/dbraw/zinc/69/45/96/1389694596.db2.gz LFGQUJXZNULFQE-XJKSGUPXSA-N 2 0 344.421 3.449 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001332024742 1389950144 /nfs/dbraw/zinc/95/01/44/1389950144.db2.gz JZNRVEGEJFHSAV-GOSISDBHSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001332049802 1389958223 /nfs/dbraw/zinc/95/82/23/1389958223.db2.gz QZSYYMCNMMFUHR-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001332326267 1390087586 /nfs/dbraw/zinc/08/75/86/1390087586.db2.gz ZXSFYODQMOIAET-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332425321 1390114081 /nfs/dbraw/zinc/11/40/81/1390114081.db2.gz ZHPXAYDRFBOKBH-OAHLLOKOSA-N 2 0 347.528 3.201 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCCN2Cc2cccc(F)c2)c1 ZINC001339845237 1390169191 /nfs/dbraw/zinc/16/91/91/1390169191.db2.gz JSVKPCDFTNTAJQ-LJQANCHMSA-N 2 0 341.430 3.278 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC001340515460 1390303811 /nfs/dbraw/zinc/30/38/11/1390303811.db2.gz OEBNVCVFJFZJLI-CABCVRRESA-N 2 0 329.488 3.299 20 0 EGADRP C[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001341568662 1390503479 /nfs/dbraw/zinc/50/34/79/1390503479.db2.gz AJGGPIAKZMHEFR-GOSISDBHSA-N 2 0 342.483 3.010 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]([NH3+])C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001341699209 1390518712 /nfs/dbraw/zinc/51/87/12/1390518712.db2.gz DMZPITLCXDOEFX-QRQLOZEOSA-N 2 0 345.531 3.261 20 0 EGADRP C[NH2+]CCCCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001341701464 1390519131 /nfs/dbraw/zinc/51/91/31/1390519131.db2.gz SSJSJYJYRPJFKQ-QGZVFWFLSA-N 2 0 331.504 3.156 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC001334433455 1390537815 /nfs/dbraw/zinc/53/78/15/1390537815.db2.gz ITEJQONHIVVSMT-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cn3nc(Cl)c4ccccc43)C[C@@H]2C1 ZINC001334747262 1390579168 /nfs/dbraw/zinc/57/91/68/1390579168.db2.gz HFUQHQDSADKXNQ-SOUVJXGZSA-N 2 0 332.879 3.309 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001342399941 1390608793 /nfs/dbraw/zinc/60/87/93/1390608793.db2.gz XQBKRCBKHXGETQ-IBGZPJMESA-N 2 0 339.414 3.032 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(-c2cccs2)n1 ZINC001335132981 1390646379 /nfs/dbraw/zinc/64/63/79/1390646379.db2.gz AEVVSDUZOCUJPY-ZMSDIMECSA-N 2 0 344.528 3.311 20 0 EGADRP c1ccc(C2CCC(C[NH2+]C[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1 ZINC001343259936 1390703121 /nfs/dbraw/zinc/70/31/21/1390703121.db2.gz AHVIFCRFQPGDSO-NLDTVIPQSA-N 2 0 328.500 3.413 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001335582543 1390706105 /nfs/dbraw/zinc/70/61/05/1390706105.db2.gz MAUAGWJFRZQCQX-IIAWOOMASA-N 2 0 346.906 3.389 20 0 EGADRP COc1cccc(N2CCC([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC001345470000 1390861596 /nfs/dbraw/zinc/86/15/96/1390861596.db2.gz MSTAUNCILRKKFU-SFTDATJTSA-N 2 0 337.467 3.398 20 0 EGADRP CC[C@]1(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC[NH2+]C1 ZINC001345767029 1390883713 /nfs/dbraw/zinc/88/37/13/1390883713.db2.gz BJQVDOBJMRGYIE-XLIONFOSSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC001486484371 1391012050 /nfs/dbraw/zinc/01/20/50/1391012050.db2.gz ZKCYZWKFWKIKRH-UHFFFAOYSA-N 2 0 349.544 3.012 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001488671254 1391701243 /nfs/dbraw/zinc/70/12/43/1391701243.db2.gz JSZCXBQVFVKVMI-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@@H]1CCC[NH3+] ZINC001354299054 1392136839 /nfs/dbraw/zinc/13/68/39/1392136839.db2.gz VUDFRYMEWSJVJG-SJLPKXTDSA-N 2 0 347.503 3.245 20 0 EGADRP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001354632099 1392157487 /nfs/dbraw/zinc/15/74/87/1392157487.db2.gz FQSMMWYLRHXCIT-INIZCTEOSA-N 2 0 335.517 3.082 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ccc2C)C1 ZINC001479913614 1392481711 /nfs/dbraw/zinc/48/17/11/1392481711.db2.gz MADCNTDFUCFXBT-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001479980620 1392514170 /nfs/dbraw/zinc/51/41/70/1392514170.db2.gz IRYNHDCGROFYRF-ROUUACIJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001479995915 1392527567 /nfs/dbraw/zinc/52/75/67/1392527567.db2.gz XKNQJVPPICOATK-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CCC)CC1 ZINC001479996357 1392528188 /nfs/dbraw/zinc/52/81/88/1392528188.db2.gz FOUYSUXKTZGXGJ-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1)C1CCC1 ZINC001480349620 1392698988 /nfs/dbraw/zinc/69/89/88/1392698988.db2.gz IBTYCFXSSJCREI-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001480382163 1392725654 /nfs/dbraw/zinc/72/56/54/1392725654.db2.gz HQLNYJAQPOVVAB-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001480863777 1392987944 /nfs/dbraw/zinc/98/79/44/1392987944.db2.gz GIIOBCOYZKRDBB-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1c(C)cccc1C ZINC001480973965 1393059317 /nfs/dbraw/zinc/05/93/17/1393059317.db2.gz CAECBAIBDDQHSJ-FQEVSTJZSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H](C)c1ccccc1C ZINC001481018541 1393094632 /nfs/dbraw/zinc/09/46/32/1393094632.db2.gz BPOKQVUJOKHXKW-LJQANCHMSA-N 2 0 345.531 3.370 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491167981 1394455813 /nfs/dbraw/zinc/45/58/13/1394455813.db2.gz CETZJWHHPODKNM-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccccc1 ZINC001491181087 1394461490 /nfs/dbraw/zinc/46/14/90/1394461490.db2.gz ZGBWZTBYAMPDLF-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP C[N@H+](CCC(=O)NC[C@H]1CCCC[NH+]1CC1CC1)C1CCCCC1 ZINC001491219291 1394478278 /nfs/dbraw/zinc/47/82/78/1394478278.db2.gz OVGAEXYSWUZKFL-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001482172998 1394786117 /nfs/dbraw/zinc/78/61/17/1394786117.db2.gz DCDZQKCDKWUBDK-JXFKEZNVSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001482369626 1394932268 /nfs/dbraw/zinc/93/22/68/1394932268.db2.gz ZELLKLJAUAKNRA-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CCCCC1)[NH+](C)C ZINC001482409238 1394973806 /nfs/dbraw/zinc/97/38/06/1394973806.db2.gz KLHXHIXCLVORRV-UXHICEINSA-N 2 0 345.531 3.182 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccccc2F)C1 ZINC001484549371 1395430768 /nfs/dbraw/zinc/43/07/68/1395430768.db2.gz JXXMZBPVWOLYFP-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001484718014 1395479489 /nfs/dbraw/zinc/47/94/89/1395479489.db2.gz HBMGRCNHJKXYQK-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC001485387218 1395876246 /nfs/dbraw/zinc/87/62/46/1395876246.db2.gz JNHIZTFUOBFUGZ-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CCCC[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485461262 1395935509 /nfs/dbraw/zinc/93/55/09/1395935509.db2.gz GMASVOVOPCHWAN-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC001503763536 1396267958 /nfs/dbraw/zinc/26/79/58/1396267958.db2.gz DXCVYOSFHBOXPK-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001505409598 1396293330 /nfs/dbraw/zinc/29/33/30/1396293330.db2.gz GBVLDLYKKKRFEE-APWZRJJASA-N 2 0 349.494 3.081 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001505410601 1396294803 /nfs/dbraw/zinc/29/48/03/1396294803.db2.gz FQVXZLPHMJQHJM-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001494171134 1396395626 /nfs/dbraw/zinc/39/56/26/1396395626.db2.gz GVOCHDQEEGFTNZ-HXUWFJFHSA-N 2 0 345.531 3.007 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001494301640 1396424244 /nfs/dbraw/zinc/42/42/44/1396424244.db2.gz YVFGPDRZLSZTIO-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001498456491 1397002172 /nfs/dbraw/zinc/00/21/72/1397002172.db2.gz OIGVGNQQSXYJDG-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001690428961 1404554947 /nfs/dbraw/zinc/55/49/47/1404554947.db2.gz HEWOVDULHTXFPW-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001690471447 1404595833 /nfs/dbraw/zinc/59/58/33/1404595833.db2.gz HHHOLKULRBAQQH-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001690650008 1404681491 /nfs/dbraw/zinc/68/14/91/1404681491.db2.gz CIYCRWDXKWACNU-ZWKOTPCHSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001690825224 1404762987 /nfs/dbraw/zinc/76/29/87/1404762987.db2.gz UQFAWWSXMQYPNR-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001690978625 1404888305 /nfs/dbraw/zinc/88/83/05/1404888305.db2.gz YDTNGDINSYSYEQ-QZTJIDSGSA-N 2 0 345.531 3.261 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083309 1405017409 /nfs/dbraw/zinc/01/74/09/1405017409.db2.gz TUAQIUHTOKQAHB-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001691317583 1405204322 /nfs/dbraw/zinc/20/43/22/1405204322.db2.gz ZMZXVOMDXZVIDY-RTBURBONSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001691781890 1405490912 /nfs/dbraw/zinc/49/09/12/1405490912.db2.gz GCQHMRWAMUFQIC-SFHVURJKSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[C@H]2CC[N@H+](CCCC3CCCC3)C2)CCC1 ZINC001691887815 1405611037 /nfs/dbraw/zinc/61/10/37/1405611037.db2.gz JZFCEWIRVMWWGP-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[NH+](C)CC)C1 ZINC001691999319 1405714970 /nfs/dbraw/zinc/71/49/70/1405714970.db2.gz RWMSLNHGACFSAJ-FQEVSTJZSA-N 2 0 345.531 3.231 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001698572858 1406178319 /nfs/dbraw/zinc/17/83/19/1406178319.db2.gz KFRJFXWYEUVTSD-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001698575179 1406183372 /nfs/dbraw/zinc/18/33/72/1406183372.db2.gz SAACOOFHVPDMLF-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CCCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732038213 1428261742 /nfs/dbraw/zinc/26/17/42/1428261742.db2.gz DAQVFAIRYFBGKQ-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CCCF)C1 ZINC001732041914 1428272219 /nfs/dbraw/zinc/27/22/19/1428272219.db2.gz NGLPZEWFFDVVMN-IBGZPJMESA-N 2 0 349.494 3.034 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001732055693 1428299090 /nfs/dbraw/zinc/29/90/90/1428299090.db2.gz YJGQPGBAZUEQNZ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001732059005 1428305888 /nfs/dbraw/zinc/30/58/88/1428305888.db2.gz KYBYUWWDWRVSEP-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001732152502 1428396767 /nfs/dbraw/zinc/39/67/67/1428396767.db2.gz XOCHPNHXFOOIFN-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001732186755 1428436532 /nfs/dbraw/zinc/43/65/32/1428436532.db2.gz OAHGVSILBBAXHL-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001732187261 1428437436 /nfs/dbraw/zinc/43/74/36/1428437436.db2.gz QBFXFBPKKQEQAE-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@](C)(C[NH2+]CC2CCC2)C2CC2)c1 ZINC001732253664 1428495274 /nfs/dbraw/zinc/49/52/74/1428495274.db2.gz MDTNOAOGERDYCO-NRFANRHFSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+][C@H](C)c1ccccc1 ZINC001732362517 1428548693 /nfs/dbraw/zinc/54/86/93/1428548693.db2.gz XHSVETMGLACSHA-DLBZAZTESA-N 2 0 333.520 3.067 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001732477404 1428603493 /nfs/dbraw/zinc/60/34/93/1428603493.db2.gz MHHZWFJIINTTDI-IBGZPJMESA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001699130520 1412525000 /nfs/dbraw/zinc/52/50/00/1412525000.db2.gz CJQNHQVKSRQOCE-BEFAXECRSA-N 2 0 349.494 3.103 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001700139669 1413559303 /nfs/dbraw/zinc/55/93/03/1413559303.db2.gz QGHGPLPZPHTXTM-SFHVURJKSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)CC[N@@H+]1C ZINC001700344278 1413830246 /nfs/dbraw/zinc/83/02/46/1413830246.db2.gz GPJYMCGWGWZGQX-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1C/C=C\Cl)CC(C)(C)C ZINC001700524897 1414185078 /nfs/dbraw/zinc/18/50/78/1414185078.db2.gz AOHUBIIIAPNNFB-YHWKNFMLSA-N 2 0 343.943 3.078 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700527729 1414192077 /nfs/dbraw/zinc/19/20/77/1414192077.db2.gz ZEGIBUFROXVNGV-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001700621115 1414290296 /nfs/dbraw/zinc/29/02/96/1414290296.db2.gz KJVRZPOMHYSUJB-SGQUHAKNSA-N 2 0 349.563 3.243 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CCC[NH2+]C/C=C\Cl)c1ccccc1 ZINC001700704944 1414361666 /nfs/dbraw/zinc/36/16/66/1414361666.db2.gz DKUIRWOBZSLKFN-XBIMBQGHSA-N 2 0 349.906 3.060 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001700781710 1414464741 /nfs/dbraw/zinc/46/47/41/1414464741.db2.gz ZGYQCQCBKSVEQJ-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001700858687 1414506241 /nfs/dbraw/zinc/50/62/41/1414506241.db2.gz MFBRZIAABVXDHY-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(F)c2)[C@@H]1C ZINC001700887658 1414546622 /nfs/dbraw/zinc/54/66/22/1414546622.db2.gz JZHFUWJBKBXHPH-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2F)[C@@H]1C ZINC001700890999 1414550180 /nfs/dbraw/zinc/55/01/80/1414550180.db2.gz YGMQLOCFMTYSOZ-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001732604493 1428857305 /nfs/dbraw/zinc/85/73/05/1428857305.db2.gz BSXLPYDQRHZBPV-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001733002742 1429124039 /nfs/dbraw/zinc/12/40/39/1429124039.db2.gz BWPBWORYXNFWSB-GJZGRUSLSA-N 2 0 330.476 3.033 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001733009640 1429129312 /nfs/dbraw/zinc/12/93/12/1429129312.db2.gz ILSYYFMBCHWUCH-IRXDYDNUSA-N 2 0 341.499 3.337 20 0 EGADRP CC(C)[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001707148549 1417222954 /nfs/dbraw/zinc/22/29/54/1417222954.db2.gz ZRTBMAAGZXJVBH-PXNSSMCTSA-N 2 0 345.531 3.377 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713086695 1417633532 /nfs/dbraw/zinc/63/35/32/1417633532.db2.gz GIWYVBWRNFHKIS-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713134728 1417713419 /nfs/dbraw/zinc/71/34/19/1417713419.db2.gz SVCAHDGWVHXBQF-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)C1CCCCC1 ZINC001713164074 1417738595 /nfs/dbraw/zinc/73/85/95/1417738595.db2.gz GJQZIOBYMASAMY-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001713309858 1417934380 /nfs/dbraw/zinc/93/43/80/1417934380.db2.gz KPEWGQSQECIJHG-GFBZKKKVSA-N 2 0 343.515 3.059 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713417413 1418041432 /nfs/dbraw/zinc/04/14/32/1418041432.db2.gz QTDPIDIWNWLIAA-HNAYVOBHSA-N 2 0 343.531 3.120 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccccc1 ZINC001713454184 1418104175 /nfs/dbraw/zinc/10/41/75/1418104175.db2.gz CYQGFFAYSAONCH-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cccc([C@H](C)[NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001713459834 1418115392 /nfs/dbraw/zinc/11/53/92/1418115392.db2.gz OPWIOVDKXSRFRA-ICSRJNTNSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)C[NH+]1CCC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001713780910 1418596643 /nfs/dbraw/zinc/59/66/43/1418596643.db2.gz IWIBMHKCXRPZGF-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713794310 1418613979 /nfs/dbraw/zinc/61/39/79/1418613979.db2.gz MITNYNKGVIEWDH-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)(C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCC1 ZINC001713865630 1418662799 /nfs/dbraw/zinc/66/27/99/1418662799.db2.gz HZURXORFVIBBFH-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001714014382 1418794288 /nfs/dbraw/zinc/79/42/88/1418794288.db2.gz VNHDQAQHOWZTAO-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](CNC(=O)CCc1c[nH]cn1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001714080913 1418874796 /nfs/dbraw/zinc/87/47/96/1418874796.db2.gz SUYDNUFJVFIYSM-KBPBESRZSA-N 2 0 348.878 3.241 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001714105543 1418904433 /nfs/dbraw/zinc/90/44/33/1418904433.db2.gz ACCXEGFKMLXXDM-PXNSSMCTSA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC001714115002 1418917069 /nfs/dbraw/zinc/91/70/69/1418917069.db2.gz LQHODBZGWITPGX-XLIONFOSSA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714154780 1418963591 /nfs/dbraw/zinc/96/35/91/1418963591.db2.gz ZIXVUWMGSAGSTR-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(C[NH2+]CC(C)C)cc2)C1 ZINC001714321087 1419099475 /nfs/dbraw/zinc/09/94/75/1419099475.db2.gz MVMRRGXEIOXCML-HXUWFJFHSA-N 2 0 345.531 3.170 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1c(C)cc(C)cc1C ZINC001714648188 1419424480 /nfs/dbraw/zinc/42/44/80/1419424480.db2.gz ZFUPYOYMQGXCIB-FQEVSTJZSA-N 2 0 345.531 3.034 20 0 EGADRP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001714922783 1419675707 /nfs/dbraw/zinc/67/57/07/1419675707.db2.gz CKRGZIIAZVWOHX-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH+]2CC(CNC(=O)CCC[NH+](C)C)C2)cc1 ZINC001714972220 1419706942 /nfs/dbraw/zinc/70/69/42/1419706942.db2.gz ZXILGUQGGVPLLL-KRWDZBQOSA-N 2 0 345.531 3.261 20 0 EGADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](CC)c1ccccc1 ZINC001715063274 1419801716 /nfs/dbraw/zinc/80/17/16/1419801716.db2.gz ACAXPURQPJZXFR-RTBURBONSA-N 2 0 343.515 3.251 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001715083588 1419821002 /nfs/dbraw/zinc/82/10/02/1419821002.db2.gz GUPRVUNMOQAMTA-APWZRJJASA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C)c2)CC1 ZINC001715191911 1419923835 /nfs/dbraw/zinc/92/38/35/1419923835.db2.gz VBDBTMYZJKLTOB-MXVIHJGJSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]2CCCCC2)cc1 ZINC001715377783 1420073755 /nfs/dbraw/zinc/07/37/55/1420073755.db2.gz SJMVGUBVYUYIMO-IBGZPJMESA-N 2 0 345.531 3.198 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)C(C)C)CC1 ZINC001715481706 1420160689 /nfs/dbraw/zinc/16/06/89/1420160689.db2.gz QANANBVKFSWMIK-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001715931870 1420403988 /nfs/dbraw/zinc/40/39/88/1420403988.db2.gz KEHIGWYTMRBUDF-IAGOWNOFSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001715950749 1420417539 /nfs/dbraw/zinc/41/75/39/1420417539.db2.gz WWZVGJNSYQJKGC-IAGOWNOFSA-N 2 0 333.520 3.128 20 0 EGADRP Cc1ccccc1C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001715957089 1420422982 /nfs/dbraw/zinc/42/29/82/1420422982.db2.gz FQHBEUQORCLCFQ-HXUWFJFHSA-N 2 0 345.531 3.148 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001715962465 1420428735 /nfs/dbraw/zinc/42/87/35/1420428735.db2.gz LGACKLZTFVPHHC-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716044323 1420507677 /nfs/dbraw/zinc/50/76/77/1420507677.db2.gz LCICULPPKPIZJK-IAGOWNOFSA-N 2 0 333.520 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1 ZINC001716220399 1420570467 /nfs/dbraw/zinc/57/04/67/1420570467.db2.gz PKLYEUQKVOANOK-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001716643203 1420798951 /nfs/dbraw/zinc/79/89/51/1420798951.db2.gz YEFNJKAWSVYPTM-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001716780375 1420918961 /nfs/dbraw/zinc/91/89/61/1420918961.db2.gz RMOIOFGJIKCPAS-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC3CCCCC3)C[C@H]21 ZINC001717042865 1421097170 /nfs/dbraw/zinc/09/71/70/1421097170.db2.gz JWUFTAADLUDCLR-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001717197393 1421163784 /nfs/dbraw/zinc/16/37/84/1421163784.db2.gz YCWRGVPJAGMSDW-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H](C)C1 ZINC001717335019 1421272216 /nfs/dbraw/zinc/27/22/16/1421272216.db2.gz CMSAVNKPALKHRF-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717341009 1421278548 /nfs/dbraw/zinc/27/85/48/1421278548.db2.gz ARXPUFGEKDQNTL-AZUAARDMSA-N 2 0 345.531 3.162 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)CCC1 ZINC001733293187 1429473877 /nfs/dbraw/zinc/47/38/77/1429473877.db2.gz BZDUZWOORILVLJ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479150 1421414338 /nfs/dbraw/zinc/41/43/38/1421414338.db2.gz IJZCXKUXIABXRG-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001717485957 1421422669 /nfs/dbraw/zinc/42/26/69/1421422669.db2.gz WYGUFGIFWMIGFZ-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H]1C ZINC001717803141 1421630693 /nfs/dbraw/zinc/63/06/93/1421630693.db2.gz STROVQDONJLVNW-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001717877520 1421683405 /nfs/dbraw/zinc/68/34/05/1421683405.db2.gz ADHVVQGUYDNXMD-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001733335176 1429519463 /nfs/dbraw/zinc/51/94/63/1429519463.db2.gz FWIRVQPAJFUBPG-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001733441046 1429648446 /nfs/dbraw/zinc/64/84/46/1429648446.db2.gz MQWAAZOVQKUGCC-JXFKEZNVSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001723571842 1424470204 /nfs/dbraw/zinc/47/02/04/1424470204.db2.gz UCXXOCYKVGBUTR-QZTJIDSGSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001723571821 1424470519 /nfs/dbraw/zinc/47/05/19/1424470519.db2.gz SVMJZGLYZGXZAF-ROUUACIJSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001723640963 1424508539 /nfs/dbraw/zinc/50/85/39/1424508539.db2.gz OEEXKPCIVLFQIT-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001724616557 1424964160 /nfs/dbraw/zinc/96/41/60/1424964160.db2.gz FQWRYIDRTDRKNR-FQEVSTJZSA-N 2 0 345.531 3.276 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CCC3CCCC3)CCC2)CC1 ZINC001724796333 1425164080 /nfs/dbraw/zinc/16/40/80/1425164080.db2.gz KNORESSNWCDWQN-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCC1)[NH+]1CCCCCC1 ZINC001724797109 1425165488 /nfs/dbraw/zinc/16/54/88/1425165488.db2.gz QJFZGKKURHLFLG-SFHVURJKSA-N 2 0 343.515 3.080 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001724944852 1425329254 /nfs/dbraw/zinc/32/92/54/1425329254.db2.gz HQEYFRJACFRUOH-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCCC3)CC2)CC1 ZINC001725017749 1425436428 /nfs/dbraw/zinc/43/64/28/1425436428.db2.gz OLSJWHNSMVIJGT-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001725478472 1426153383 /nfs/dbraw/zinc/15/33/83/1426153383.db2.gz CWWKZZZYXZYADF-INIZCTEOSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001725478478 1426153430 /nfs/dbraw/zinc/15/34/30/1426153430.db2.gz CWWKZZZYXZYADF-MRXNPFEDSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001725613098 1426273532 /nfs/dbraw/zinc/27/35/32/1426273532.db2.gz AYFXWRSDWKIFNC-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001725657150 1426340090 /nfs/dbraw/zinc/34/00/90/1426340090.db2.gz UGXPEZCWHXSBIP-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1C)C(C)(C)C)[NH+](C)C ZINC001725747244 1426424695 /nfs/dbraw/zinc/42/46/95/1426424695.db2.gz QNEZXXWVRZZMKS-RTBURBONSA-N 2 0 347.547 3.264 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001731372841 1427301462 /nfs/dbraw/zinc/30/14/62/1427301462.db2.gz DXINPRAHMRLYHL-GOSISDBHSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001731381360 1427318527 /nfs/dbraw/zinc/31/85/27/1427318527.db2.gz JMXIQEJJJWNDIV-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001731629771 1427681146 /nfs/dbraw/zinc/68/11/46/1427681146.db2.gz SSSBMOHTAOLYJT-YLJYHZDGSA-N 2 0 345.531 3.352 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1)C1CCC1 ZINC001731829239 1428036483 /nfs/dbraw/zinc/03/64/83/1428036483.db2.gz NSBVUCFXCQZSMV-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731842097 1428064125 /nfs/dbraw/zinc/06/41/25/1428064125.db2.gz NYDLVHZEXIRAOS-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001733902341 1437720524 /nfs/dbraw/zinc/72/05/24/1437720524.db2.gz RLUIUOAMPXRFEU-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC1CC(C[N@@H+]2CCCCC[C@H]2CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001734105431 1437891934 /nfs/dbraw/zinc/89/19/34/1437891934.db2.gz FUKHORXCKRPGIB-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001734343988 1438063622 /nfs/dbraw/zinc/06/36/22/1438063622.db2.gz NNOMZBQNRNHUMD-ROUUACIJSA-N 2 0 347.547 3.470 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H]1C ZINC001734404375 1438084161 /nfs/dbraw/zinc/08/41/61/1438084161.db2.gz RXKIKJWUNAGISN-UYAOXDASSA-N 2 0 345.531 3.033 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C)cc1 ZINC001734405503 1438084491 /nfs/dbraw/zinc/08/44/91/1438084491.db2.gz PMNNMXPJGFBIRU-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001734601919 1438183531 /nfs/dbraw/zinc/18/35/31/1438183531.db2.gz GWJNNSJORZTCMS-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001752146255 1440145961 /nfs/dbraw/zinc/14/59/61/1440145961.db2.gz ZIRAGPBKVMPQDC-MJGOQNOKSA-N 2 0 337.552 3.409 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001752154277 1440146713 /nfs/dbraw/zinc/14/67/13/1440146713.db2.gz CHBWMFHOKISVOM-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001752159062 1440148168 /nfs/dbraw/zinc/14/81/68/1440148168.db2.gz YSIFVNHLRRUYJT-UYAOXDASSA-N 2 0 345.531 3.194 20 0 EGADRP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1CCCCC1 ZINC001752196142 1440153041 /nfs/dbraw/zinc/15/30/41/1440153041.db2.gz QVBGUZBFGAHKBG-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](CC2CCCC2)C2CC2)CC1 ZINC001752283113 1440164749 /nfs/dbraw/zinc/16/47/49/1440164749.db2.gz LLILOAQAMHVJCD-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001752640015 1440197493 /nfs/dbraw/zinc/19/74/93/1440197493.db2.gz UOABPOFWYLKJFK-IYARVYRRSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001752687490 1440200138 /nfs/dbraw/zinc/20/01/38/1440200138.db2.gz RKNWLLUDVKWJMH-UFYCRDLUSA-N 2 0 347.547 3.234 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001752775362 1440206678 /nfs/dbraw/zinc/20/66/78/1440206678.db2.gz ICRIXBZLJQNAQX-RLLQIKCJSA-N 2 0 343.515 3.169 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001752814309 1440217463 /nfs/dbraw/zinc/21/74/63/1440217463.db2.gz GMBYLUYQFLJMSQ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001752815794 1440217885 /nfs/dbraw/zinc/21/78/85/1440217885.db2.gz SQTVPNAJNAOLPU-GPJFCIFZSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001752828005 1440224315 /nfs/dbraw/zinc/22/43/15/1440224315.db2.gz WNNZPBZDWDIPGF-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752835540 1440227416 /nfs/dbraw/zinc/22/74/16/1440227416.db2.gz GHXMYIQTXNENGE-IAGOWNOFSA-N 2 0 337.552 3.265 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752839235 1440229593 /nfs/dbraw/zinc/22/95/93/1440229593.db2.gz CRIHCWWHAFPPGY-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752840428 1440230259 /nfs/dbraw/zinc/23/02/59/1440230259.db2.gz JWWHMPLHSPOUPN-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001752873358 1440237657 /nfs/dbraw/zinc/23/76/57/1440237657.db2.gz RFIKAGRRFCMSPM-QZTJIDSGSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001752976260 1440256029 /nfs/dbraw/zinc/25/60/29/1440256029.db2.gz LYZJAELUWRYPBO-RTBURBONSA-N 2 0 345.531 3.279 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001752990598 1440259498 /nfs/dbraw/zinc/25/94/98/1440259498.db2.gz HPNKDHLXSULNMH-KDWHXURISA-N 2 0 349.563 3.386 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001752998045 1440263040 /nfs/dbraw/zinc/26/30/40/1440263040.db2.gz YDBRBDFZILNLSG-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752999841 1440263949 /nfs/dbraw/zinc/26/39/49/1440263949.db2.gz ISGVQFCOLBHADV-UXHICEINSA-N 2 0 349.563 3.386 20 0 EGADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001753013225 1440267505 /nfs/dbraw/zinc/26/75/05/1440267505.db2.gz CGLRXXVRRIMSHO-MRXNPFEDSA-N 2 0 337.552 3.029 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753030048 1440272764 /nfs/dbraw/zinc/27/27/64/1440272764.db2.gz OBDHEXFCYMPEAD-QGZVFWFLSA-N 2 0 342.487 3.417 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CCCCCC1 ZINC001753052889 1440280150 /nfs/dbraw/zinc/28/01/50/1440280150.db2.gz JEYMBQSGTWBGGA-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001753055224 1440281143 /nfs/dbraw/zinc/28/11/43/1440281143.db2.gz LTBLDZBWSPABFW-UXHICEINSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001753056280 1440281527 /nfs/dbraw/zinc/28/15/27/1440281527.db2.gz ZGOIEDHOQGQNTJ-VQIMIIECSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001753056277 1440281647 /nfs/dbraw/zinc/28/16/47/1440281647.db2.gz ZGOIEDHOQGQNTJ-APWZRJJASA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001753059294 1440282797 /nfs/dbraw/zinc/28/27/97/1440282797.db2.gz CKOTXZHKJITAPS-SFHVURJKSA-N 2 0 345.531 3.287 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001753112272 1440308953 /nfs/dbraw/zinc/30/89/53/1440308953.db2.gz ZLTSFEYJMYCAKN-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1cccc(C)c1 ZINC001753115617 1440311135 /nfs/dbraw/zinc/31/11/35/1440311135.db2.gz GESOTHJSEWPUEI-UYAOXDASSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)c1ccc(C[NH+]2CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001753140186 1440320586 /nfs/dbraw/zinc/32/05/86/1440320586.db2.gz LAAVAGCQKVUXJJ-IBGZPJMESA-N 2 0 345.531 3.088 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC1CCCC1 ZINC001753149324 1440326670 /nfs/dbraw/zinc/32/66/70/1440326670.db2.gz WYWIVHXHRKVXGW-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001753273415 1440345660 /nfs/dbraw/zinc/34/56/60/1440345660.db2.gz BOTYDRWWBBYOST-CJCADHRLSA-N 2 0 349.563 3.290 20 0 EGADRP CCCC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001753280921 1440347323 /nfs/dbraw/zinc/34/73/23/1440347323.db2.gz PDSIVEVOUCSPHV-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCC1CCCC1 ZINC001753291388 1440350592 /nfs/dbraw/zinc/35/05/92/1440350592.db2.gz GJMJBMRJSDWUEY-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001753293362 1440351250 /nfs/dbraw/zinc/35/12/50/1440351250.db2.gz CVOOTWFUZYUUMD-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CCCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001753317892 1440360678 /nfs/dbraw/zinc/36/06/78/1440360678.db2.gz YEMKMPOATQFZEK-GOSISDBHSA-N 2 0 342.487 3.225 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(CC)cc2)C1 ZINC001753325455 1440366376 /nfs/dbraw/zinc/36/63/76/1440366376.db2.gz AKDHMYRGBPSPJS-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753354342 1440379206 /nfs/dbraw/zinc/37/92/06/1440379206.db2.gz DRCHPFGXUUUWIP-COLAKMGYSA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CCC2CCCCC2)C1 ZINC001753357962 1440381007 /nfs/dbraw/zinc/38/10/07/1440381007.db2.gz IMNYPEFJMFRVKW-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1 ZINC001753427990 1440397561 /nfs/dbraw/zinc/39/75/61/1440397561.db2.gz SAVFVMWJJSOLSY-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001753439660 1440401343 /nfs/dbraw/zinc/40/13/43/1440401343.db2.gz PZFWWUQIHQRTQU-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753445416 1440403439 /nfs/dbraw/zinc/40/34/39/1440403439.db2.gz LLUBHARBADTFQZ-RBUKOAKNSA-N 2 0 337.552 3.362 20 0 EGADRP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C)cc1C ZINC001753477957 1440415648 /nfs/dbraw/zinc/41/56/48/1440415648.db2.gz RGTMSVRSDAKIPV-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001753486465 1440417972 /nfs/dbraw/zinc/41/79/72/1440417972.db2.gz QVUDOCBDCQYMLC-YLJYHZDGSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001753486463 1440418019 /nfs/dbraw/zinc/41/80/19/1440418019.db2.gz QVUDOCBDCQYMLC-PXNSSMCTSA-N 2 0 345.531 3.136 20 0 EGADRP CCCC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001753511194 1440426023 /nfs/dbraw/zinc/42/60/23/1440426023.db2.gz BKCPIUCGLPMPHS-UHFFFAOYSA-N 2 0 331.504 3.181 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001753586526 1440441343 /nfs/dbraw/zinc/44/13/43/1440441343.db2.gz RPFGXEJPHUCZPN-LWYYNNOASA-N 2 0 349.563 3.457 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001753587457 1440441746 /nfs/dbraw/zinc/44/17/46/1440441746.db2.gz DXTGDVJTJUXEOW-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001753589543 1440442492 /nfs/dbraw/zinc/44/24/92/1440442492.db2.gz FFBIBHYMZXPYGD-MRXNPFEDSA-N 2 0 349.494 3.015 20 0 EGADRP CCC[NH2+]Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001753590539 1440442707 /nfs/dbraw/zinc/44/27/07/1440442707.db2.gz JLXICFYNKRXKKZ-KRWDZBQOSA-N 2 0 331.504 3.067 20 0 EGADRP CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001753591222 1440442912 /nfs/dbraw/zinc/44/29/12/1440442912.db2.gz QHXDWBIEZNCSJO-FXAWDEMLSA-N 2 0 345.531 3.311 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001753669950 1440461649 /nfs/dbraw/zinc/46/16/49/1440461649.db2.gz MFHXLWGYZPNXER-FPXQDXNASA-N 2 0 347.547 3.378 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CCCC2)C1 ZINC001753679608 1440464294 /nfs/dbraw/zinc/46/42/94/1440464294.db2.gz WMKHKBMUUDPORI-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCC2)c1 ZINC001753679802 1440464405 /nfs/dbraw/zinc/46/44/05/1440464405.db2.gz ZVPOCQOKCWXLDL-GOSISDBHSA-N 2 0 343.515 3.170 20 0 EGADRP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753695833 1440467591 /nfs/dbraw/zinc/46/75/91/1440467591.db2.gz ZBWHIHYUMIQXKP-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)N(C)C(=O)CC[NH+](C)C ZINC001753710150 1440470534 /nfs/dbraw/zinc/47/05/34/1440470534.db2.gz ANQUOHSTLKYQSE-SJORKVTESA-N 2 0 341.499 3.289 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001753745727 1440480910 /nfs/dbraw/zinc/48/09/10/1440480910.db2.gz IMKAWSACNPROOH-RTBURBONSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001753798739 1440490323 /nfs/dbraw/zinc/49/03/23/1440490323.db2.gz FFFSGOINHTXNDV-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753809828 1440492515 /nfs/dbraw/zinc/49/25/15/1440492515.db2.gz RILLLLOZYHUFOY-KQPGTDLCSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753809827 1440492550 /nfs/dbraw/zinc/49/25/50/1440492550.db2.gz RILLLLOZYHUFOY-DDRDIHNTSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001753810533 1440492621 /nfs/dbraw/zinc/49/26/21/1440492621.db2.gz BEOLOPWEGVLKMF-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001753855862 1440508745 /nfs/dbraw/zinc/50/87/45/1440508745.db2.gz MDHGJXKCSBEHEM-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1)[NH+]1CCCCCC1 ZINC001753864625 1440513433 /nfs/dbraw/zinc/51/34/33/1440513433.db2.gz QZKMBPWFUMMXQQ-RBUKOAKNSA-N 2 0 345.531 3.402 20 0 EGADRP CCc1ccccc1C[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001753868992 1440516516 /nfs/dbraw/zinc/51/65/16/1440516516.db2.gz CSVNQFKZNRZXNH-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753892038 1440522202 /nfs/dbraw/zinc/52/22/02/1440522202.db2.gz SLKNDCMYQXEAGP-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001753903432 1440523833 /nfs/dbraw/zinc/52/38/33/1440523833.db2.gz XIBRCJVPANXDLR-RTBURBONSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753966803 1440526583 /nfs/dbraw/zinc/52/65/83/1440526583.db2.gz WHBSBVSUTOXQFR-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754018134 1440532042 /nfs/dbraw/zinc/53/20/42/1440532042.db2.gz BFWCMRQHZZDYJW-IAGOWNOFSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001754025304 1440533142 /nfs/dbraw/zinc/53/31/42/1440533142.db2.gz ILQVUYAFTJDHLV-LPHOPBHVSA-N 2 0 349.494 3.015 20 0 EGADRP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001754084963 1440540019 /nfs/dbraw/zinc/54/00/19/1440540019.db2.gz RLJWZSJQUYHPDZ-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001754119917 1440542795 /nfs/dbraw/zinc/54/27/95/1440542795.db2.gz OMWOXARCSXZWTE-LIXSYLKWSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC001754227981 1440553548 /nfs/dbraw/zinc/55/35/48/1440553548.db2.gz WQMTVCYORWUHHP-OAHLLOKOSA-N 2 0 345.512 3.026 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001754239167 1440555376 /nfs/dbraw/zinc/55/53/76/1440555376.db2.gz PYHGTJPFCNCIJE-HCXYKTFWSA-N 2 0 345.531 3.189 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001754247994 1440557188 /nfs/dbraw/zinc/55/71/88/1440557188.db2.gz MSSFAEAKELATRL-CVEARBPZSA-N 2 0 349.494 3.101 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001754280079 1440562925 /nfs/dbraw/zinc/56/29/25/1440562925.db2.gz IAPBSQRIIXWCLQ-OALUTQOASA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001754285878 1440564195 /nfs/dbraw/zinc/56/41/95/1440564195.db2.gz PLVDASMOOAUSAY-HKUYNNGSSA-N 2 0 335.536 3.234 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001754296743 1440566637 /nfs/dbraw/zinc/56/66/37/1440566637.db2.gz XVJWMHQNJUFEHN-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001754310616 1440573039 /nfs/dbraw/zinc/57/30/39/1440573039.db2.gz JKTSPTTUESZULZ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754314189 1440574446 /nfs/dbraw/zinc/57/44/46/1440574446.db2.gz MMISXTKZDHDIKV-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754322728 1440578720 /nfs/dbraw/zinc/57/87/20/1440578720.db2.gz DVHWFAWFLUXLEP-AOIWGVFYSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001754324244 1440579739 /nfs/dbraw/zinc/57/97/39/1440579739.db2.gz QWTPASSPPIHROV-IEBWSBKVSA-N 2 0 335.536 3.186 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001754348703 1440590341 /nfs/dbraw/zinc/59/03/41/1440590341.db2.gz MGEYYCKYPNNSSD-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP CC1CCC(C[NH2+]CCCN(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001754380097 1440593404 /nfs/dbraw/zinc/59/34/04/1440593404.db2.gz ORTAKVJUTBPZDE-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001754442357 1440599480 /nfs/dbraw/zinc/59/94/80/1440599480.db2.gz FSNRIVHGKZKYKQ-APWZRJJASA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001754455096 1440602014 /nfs/dbraw/zinc/60/20/14/1440602014.db2.gz MFTNXFXCIGWDCI-FQEVSTJZSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001754490463 1440610181 /nfs/dbraw/zinc/61/01/81/1440610181.db2.gz QEDMUGJELFIDRQ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754496041 1440612397 /nfs/dbraw/zinc/61/23/97/1440612397.db2.gz SFFHXOZPEBEZIO-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001754540408 1440626029 /nfs/dbraw/zinc/62/60/29/1440626029.db2.gz UQWWQJSGMVZPGT-AQBSFNMHSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](C[C@@H](C)CC)C2 ZINC001754557017 1440632126 /nfs/dbraw/zinc/63/21/26/1440632126.db2.gz AOQDRZLTWOOGCW-ICSRJNTNSA-N 2 0 337.552 3.079 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001754567589 1440636225 /nfs/dbraw/zinc/63/62/25/1440636225.db2.gz PVQMBRXXQGVDMZ-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C2)c1 ZINC001754602938 1440642776 /nfs/dbraw/zinc/64/27/76/1440642776.db2.gz FFPIXZQSTXTOEB-XLIONFOSSA-N 2 0 345.531 3.058 20 0 EGADRP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC001754628633 1440647022 /nfs/dbraw/zinc/64/70/22/1440647022.db2.gz ABYOFQMEHVWIPC-YRNVUSSQSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754677060 1440660455 /nfs/dbraw/zinc/66/04/55/1440660455.db2.gz YYLZCLDRVJXXDH-YLJYHZDGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754686095 1440665077 /nfs/dbraw/zinc/66/50/77/1440665077.db2.gz YUGNZIVYOXTKGB-AZUAARDMSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001754705826 1440669051 /nfs/dbraw/zinc/66/90/51/1440669051.db2.gz MDGWMOANERZKSA-NQIIRXRSSA-N 2 0 347.547 3.047 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754728349 1440677527 /nfs/dbraw/zinc/67/75/27/1440677527.db2.gz UAOAFKKHRLTOIV-RRSJDPKQSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730790 1440679258 /nfs/dbraw/zinc/67/92/58/1440679258.db2.gz YXXVWMYYBGWLFW-IRUYWQDXSA-N 2 0 349.563 3.293 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](CCCC(C)(C)C)C1 ZINC001754731801 1440679964 /nfs/dbraw/zinc/67/99/64/1440679964.db2.gz JXLOSVZDFSMJJO-FQEVSTJZSA-N 2 0 339.568 3.373 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754735668 1440682238 /nfs/dbraw/zinc/68/22/38/1440682238.db2.gz IBFVHPDPPQTACG-FXAWDEMLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001754832825 1440696049 /nfs/dbraw/zinc/69/60/49/1440696049.db2.gz AKHDITLMZKYFGJ-ACDBMABISA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001754944059 1440712274 /nfs/dbraw/zinc/71/22/74/1440712274.db2.gz BMCBENJOOZSMIZ-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001754948833 1440714325 /nfs/dbraw/zinc/71/43/25/1440714325.db2.gz QCWMCBLAMIXQPS-SJORKVTESA-N 2 0 343.515 3.095 20 0 EGADRP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001754952317 1440715140 /nfs/dbraw/zinc/71/51/40/1440715140.db2.gz YLWQRMDCRBJPKL-YJTGKBQXSA-N 2 0 349.563 3.480 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001754961105 1440717702 /nfs/dbraw/zinc/71/77/02/1440717702.db2.gz IHNKDNUUIGVGBB-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001755031324 1440731509 /nfs/dbraw/zinc/73/15/09/1440731509.db2.gz OVSMQQXZTJKWBV-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+](C)CC2CCCC2)C1 ZINC001755042392 1440737991 /nfs/dbraw/zinc/73/79/91/1440737991.db2.gz MIZXIJCVELPIBU-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001755048037 1440742211 /nfs/dbraw/zinc/74/22/11/1440742211.db2.gz SVTDRGNGEGXMDJ-WOJBJXKFSA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+](CCC3CC3)C2)C1 ZINC001755048078 1440742574 /nfs/dbraw/zinc/74/25/74/1440742574.db2.gz UANPDZPSGTXCPJ-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755072728 1440747150 /nfs/dbraw/zinc/74/71/50/1440747150.db2.gz REFCBNIHQDCMEL-INIZCTEOSA-N 2 0 343.531 3.073 20 0 EGADRP CCC1([NH2+]CC2CCC2)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001755074877 1440748174 /nfs/dbraw/zinc/74/81/74/1440748174.db2.gz PFXPEBPJMCSDGJ-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001755114185 1440754711 /nfs/dbraw/zinc/75/47/11/1440754711.db2.gz MATIFXKEAHBTJX-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1)C1CCC1 ZINC001755129529 1440756791 /nfs/dbraw/zinc/75/67/91/1440756791.db2.gz QFDQWNGDIIUTHA-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC(C)([NH2+]CCCC3CCCC3)CC2)CC1 ZINC001755131035 1440757213 /nfs/dbraw/zinc/75/72/13/1440757213.db2.gz ADWVUFGYEOVTRW-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC1(C)C ZINC001755144068 1440762475 /nfs/dbraw/zinc/76/24/75/1440762475.db2.gz WJMCLQRXNMNASN-SFHVURJKSA-N 2 0 335.536 3.044 20 0 EGADRP CCc1ccc(C[NH+]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C)cc1 ZINC001755167208 1440767478 /nfs/dbraw/zinc/76/74/78/1440767478.db2.gz LRDITSXRDUJUJC-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001755185161 1440772971 /nfs/dbraw/zinc/77/29/71/1440772971.db2.gz POIOYPBQWLWVRY-SLFFLAALSA-N 2 0 343.515 3.203 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755194308 1440776045 /nfs/dbraw/zinc/77/60/45/1440776045.db2.gz RWKHUOUTOOKLCV-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755273678 1440798398 /nfs/dbraw/zinc/79/83/98/1440798398.db2.gz XYGAVZGWTKPULQ-XIMCWOHTSA-N 2 0 335.536 3.186 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001755300527 1440808233 /nfs/dbraw/zinc/80/82/33/1440808233.db2.gz RQAQDRHCLRYOOE-XLIONFOSSA-N 2 0 345.531 3.058 20 0 EGADRP CCc1ccccc1C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001755329174 1440823786 /nfs/dbraw/zinc/82/37/86/1440823786.db2.gz XMCWGBCNFRSVBH-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001755366906 1440835209 /nfs/dbraw/zinc/83/52/09/1440835209.db2.gz AFTLXRAYOGKREW-WFRZBGSESA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001755460741 1440857322 /nfs/dbraw/zinc/85/73/22/1440857322.db2.gz MNQULZXJKUUXLK-MHACMEGNSA-N 2 0 349.563 3.245 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@H](C)c2ccccc2)C(C)(C)C1 ZINC001755765457 1440916036 /nfs/dbraw/zinc/91/60/36/1440916036.db2.gz PMAMHVGAMYXWGL-MJGOQNOKSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)N(CC[N@H+](C)CCC1=CCCCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755817714 1440924705 /nfs/dbraw/zinc/92/47/05/1440924705.db2.gz WDNSKRTWQKGOKY-FQEVSTJZSA-N 2 0 349.563 3.388 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001755832581 1440929157 /nfs/dbraw/zinc/92/91/57/1440929157.db2.gz PZJKCWIRPKAYCD-SJLPKXTDSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)c1cccc(F)c1 ZINC001755837446 1440930769 /nfs/dbraw/zinc/93/07/69/1440930769.db2.gz QTXYUUVCSPUHCQ-YJBOKZPZSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001755850243 1440934683 /nfs/dbraw/zinc/93/46/83/1440934683.db2.gz IBAWBQPEWPKQSF-PKOBYXMFSA-N 2 0 337.552 3.290 20 0 EGADRP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001755851517 1440935097 /nfs/dbraw/zinc/93/50/97/1440935097.db2.gz WFJUKVPLTNUULK-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001755894399 1440942358 /nfs/dbraw/zinc/94/23/58/1440942358.db2.gz RIBRHSVBRPKZSN-QZTJIDSGSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC([NH3+])C3)CC2)nc1 ZINC001164388055 718802548 /nfs/dbraw/zinc/80/25/48/718802548.db2.gz QRXMVBSGXHCXDD-GOSISDBHSA-N 2 0 328.504 3.336 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(C3C[NH2+]C3)CC2)nc1 ZINC001164615126 719037927 /nfs/dbraw/zinc/03/79/27/719037927.db2.gz JWZGQPVJOPMAEN-IBGZPJMESA-N 2 0 328.504 3.064 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)co2)cc1 ZINC000368351240 168344827 /nfs/dbraw/zinc/34/48/27/168344827.db2.gz CNDVOZAFITUCLW-HXUWFJFHSA-N 2 0 341.455 3.268 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000368456280 168358963 /nfs/dbraw/zinc/35/89/63/168358963.db2.gz YUWDNKPUQNSCFR-QLFBSQMISA-N 2 0 341.952 3.121 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000129785260 529887668 /nfs/dbraw/zinc/88/76/68/529887668.db2.gz ASROTVQGHGFSHF-UHFFFAOYSA-N 2 0 330.303 3.063 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103188366 219267538 /nfs/dbraw/zinc/26/75/38/219267538.db2.gz DNQCIPIKMAILAC-FQEVSTJZSA-N 2 0 339.483 3.057 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CC(C)(C)Cc4occc43)C2)CC1 ZINC000363783889 282700443 /nfs/dbraw/zinc/70/04/43/282700443.db2.gz LVRSLAVNTGSRAZ-CRAIPNDOSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000127248150 222813843 /nfs/dbraw/zinc/81/38/43/222813843.db2.gz JICYLRVDTICQHF-RTBURBONSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127804208 222884387 /nfs/dbraw/zinc/88/43/87/222884387.db2.gz VEULSVUCGUDCRZ-OALUTQOASA-N 2 0 347.547 3.398 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000130525514 223159560 /nfs/dbraw/zinc/15/95/60/223159560.db2.gz RQTXCQZXYRJVJB-UHFFFAOYSA-N 2 0 346.500 3.487 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749777 549326093 /nfs/dbraw/zinc/32/60/93/549326093.db2.gz SOEZKMMMSSVRTQ-PMACEKPBSA-N 2 0 329.532 3.359 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133024776 223382456 /nfs/dbraw/zinc/38/24/56/223382456.db2.gz JGVREPBHBBFIHH-SQNIBIBYSA-N 2 0 346.515 3.278 20 0 EGADRP CC(C)n1ccnc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377335669 169011673 /nfs/dbraw/zinc/01/16/73/169011673.db2.gz HRXLUOOTEBGEAU-PMACEKPBSA-N 2 0 338.499 3.418 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C[C@@H]1c1ccccc1 ZINC000377560528 169042129 /nfs/dbraw/zinc/04/21/29/169042129.db2.gz GKTJGARGMQEDBT-VDGAXYAQSA-N 2 0 339.483 3.304 20 0 EGADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000091723112 218053170 /nfs/dbraw/zinc/05/31/70/218053170.db2.gz HFZMCXKVXBQAFH-IEBWSBKVSA-N 2 0 334.504 3.281 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000092738671 218163581 /nfs/dbraw/zinc/16/35/81/218163581.db2.gz ARWUUMYRBTYUEO-GHTZIAJQSA-N 2 0 338.499 3.111 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cccnc3)cc2)CC1 ZINC000092739566 218163862 /nfs/dbraw/zinc/16/38/62/218163862.db2.gz CBUGNPBLCHMCHM-SFHVURJKSA-N 2 0 338.499 3.070 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000362523874 284786564 /nfs/dbraw/zinc/78/65/64/284786564.db2.gz WOSMKHQXNBVBTO-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCOCc2ccccc2)[C@@H](C)C1 ZINC000268750416 252202051 /nfs/dbraw/zinc/20/20/51/252202051.db2.gz UVHSBDJHPDMANU-FPOVZHCZSA-N 2 0 348.531 3.320 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000268755769 252205891 /nfs/dbraw/zinc/20/58/91/252205891.db2.gz LPQMBZWPXBBFSD-TYCQWZJGSA-N 2 0 342.458 3.359 20 0 EGADRP CCCCCOc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268984059 255508575 /nfs/dbraw/zinc/50/85/75/255508575.db2.gz LADKLLLVGTYDGS-QGZVFWFLSA-N 2 0 334.504 3.363 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000168509258 533589635 /nfs/dbraw/zinc/58/96/35/533589635.db2.gz JGSVONFGWIUOHM-LMCOJAPRSA-N 2 0 343.515 3.015 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc[nH+]1 ZINC000108376663 285441473 /nfs/dbraw/zinc/44/14/73/285441473.db2.gz WBMNZFWPHWZWRA-VAMGGRTRSA-N 2 0 341.499 3.235 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCCCC[NH3+])CC1 ZINC000237468299 141003540 /nfs/dbraw/zinc/00/35/40/141003540.db2.gz WQOCPMIEHWGSFW-KRWDZBQOSA-N 2 0 331.504 3.237 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)C1 ZINC000237556474 141007880 /nfs/dbraw/zinc/00/78/80/141007880.db2.gz LRSDQYLRSPBZAT-TXPKVOOTSA-N 2 0 345.531 3.154 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000338096159 141092913 /nfs/dbraw/zinc/09/29/13/141092913.db2.gz RFJMSOAFINMCNZ-LJQANCHMSA-N 2 0 343.515 3.134 20 0 EGADRP CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185601974 144116004 /nfs/dbraw/zinc/11/60/04/144116004.db2.gz MWKIHTCLKLRPIE-PXNSSMCTSA-N 2 0 343.515 3.019 20 0 EGADRP CC[N@H+](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000343216568 144195903 /nfs/dbraw/zinc/19/59/03/144195903.db2.gz GZWVAHMOWNMJSM-UHFFFAOYSA-N 2 0 329.488 3.138 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347032435 144251532 /nfs/dbraw/zinc/25/15/32/144251532.db2.gz AZPWQRFEIWNNMU-LJQANCHMSA-N 2 0 331.479 3.390 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1Cl ZINC000363786252 144366494 /nfs/dbraw/zinc/36/64/94/144366494.db2.gz QUTUYZVBQKLIGL-HIFRSBDPSA-N 2 0 339.886 3.298 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCCO3)CC2)[C@@H](C)C1 ZINC000370063683 286061965 /nfs/dbraw/zinc/06/19/65/286061965.db2.gz RSULDVMBRPDPOG-IQNGYNMSSA-N 2 0 338.536 3.205 20 0 EGADRP Brc1cnccc1N1CCN(Cc2cccs2)CC1 ZINC000341340464 155240727 /nfs/dbraw/zinc/24/07/27/155240727.db2.gz DTQRZOGSJNQXTG-UHFFFAOYSA-N 2 0 338.274 3.228 20 0 EGADRP CO[C@]1(C)CCC[NH+](CCCCC[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348227706 286160321 /nfs/dbraw/zinc/16/03/21/286160321.db2.gz FFQASIPGSDZCJA-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCCC2 ZINC000353632431 286279650 /nfs/dbraw/zinc/27/96/50/286279650.db2.gz TXNPMBROMSXDNG-HZPDHXFCSA-N 2 0 326.550 3.141 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCCC2 ZINC000344075997 286280434 /nfs/dbraw/zinc/28/04/34/286280434.db2.gz XXYLMHBOJIPAHI-FCGDIQPGSA-N 2 0 338.536 3.203 20 0 EGADRP Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000192925187 153268471 /nfs/dbraw/zinc/26/84/71/153268471.db2.gz SQBLZWRAIMWNBI-LJQANCHMSA-N 2 0 334.467 3.254 20 0 EGADRP CCO[C@@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000193431763 153291181 /nfs/dbraw/zinc/29/11/81/153291181.db2.gz CWVLAOPQYLXCSP-NRFANRHFSA-N 2 0 339.483 3.413 20 0 EGADRP Cc1cc([C@@](C)(O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)o1 ZINC000305198036 154089929 /nfs/dbraw/zinc/08/99/29/154089929.db2.gz ZRPNAFYAXSHACD-FQEVSTJZSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088346 154139539 /nfs/dbraw/zinc/13/95/39/154139539.db2.gz PHIUMTMIAPRFNO-NJDAHSKKSA-N 2 0 327.516 3.115 20 0 EGADRP C[C@@H]([NH2+]Cc1cnn2ccccc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311045032 154144742 /nfs/dbraw/zinc/14/47/42/154144742.db2.gz FREQQVUJYCCYEJ-MJGOQNOKSA-N 2 0 334.467 3.335 20 0 EGADRP c1cncc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)c1 ZINC000337339376 154293004 /nfs/dbraw/zinc/29/30/04/154293004.db2.gz ORJNNEVKDLEEAR-UEXGIBASSA-N 2 0 343.515 3.198 20 0 EGADRP C[C@@H](C[NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000337343837 154296061 /nfs/dbraw/zinc/29/60/61/154296061.db2.gz YDSLPAGVWZUBLT-AWEZNQCLSA-N 2 0 344.421 3.103 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000337509561 154388678 /nfs/dbraw/zinc/38/86/78/154388678.db2.gz HYKIIXRMOQQFPS-KRWDZBQOSA-N 2 0 342.487 3.154 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000341035399 155127107 /nfs/dbraw/zinc/12/71/07/155127107.db2.gz TWGZPMTWIWXXDQ-NQIIRXRSSA-N 2 0 338.495 3.253 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OCC(C)C ZINC000346859407 156166990 /nfs/dbraw/zinc/16/69/90/156166990.db2.gz YKZRFEPANFTNBQ-OKZBNKHCSA-N 2 0 332.488 3.289 20 0 EGADRP CCC[N@H+](Cc1cc(OC)c(OCC)c(OC)c1)C1CC[NH2+]CC1 ZINC000347027151 156257001 /nfs/dbraw/zinc/25/70/01/156257001.db2.gz UQZGXMVYWJPEPB-UHFFFAOYSA-N 2 0 336.476 3.067 20 0 EGADRP CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000372460043 157336840 /nfs/dbraw/zinc/33/68/40/157336840.db2.gz LUFVEFUJFKAOOM-OAQYLSRUSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1ncsc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093844432 162030466 /nfs/dbraw/zinc/03/04/66/162030466.db2.gz XGXCTFAWASEXHQ-GJZGRUSLSA-N 2 0 337.533 3.163 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H]2CCO[C@@H]21 ZINC000248413475 163003183 /nfs/dbraw/zinc/00/31/83/163003183.db2.gz LGWGMPBKMLWYLR-RZTRGMPVSA-N 2 0 340.511 3.300 20 0 EGADRP C[C@@H](CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000248483925 163009366 /nfs/dbraw/zinc/00/93/66/163009366.db2.gz JSERZDPCCJMWMB-DYXWJJEUSA-N 2 0 344.547 3.146 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000249089724 163055311 /nfs/dbraw/zinc/05/53/11/163055311.db2.gz KDENHHGLPDEEFY-JSXRDJHFSA-N 2 0 340.511 3.446 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000343839696 164048548 /nfs/dbraw/zinc/04/85/48/164048548.db2.gz KGYKKCCWJWDHMY-UHFFFAOYSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000343991283 164078396 /nfs/dbraw/zinc/07/83/96/164078396.db2.gz PXWWOYSFAVOWEN-IEBWSBKVSA-N 2 0 331.504 3.471 20 0 EGADRP C[C@@H](CCc1ccsc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000344011467 164082376 /nfs/dbraw/zinc/08/23/76/164082376.db2.gz DKBWFPXDLHCXTR-HNNXBMFYSA-N 2 0 333.501 3.194 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1OC ZINC000344120356 164107894 /nfs/dbraw/zinc/10/78/94/164107894.db2.gz ZOPGSVQKNMVALJ-MOPGFXCFSA-N 2 0 331.504 3.481 20 0 EGADRP CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000344267961 164141968 /nfs/dbraw/zinc/14/19/68/164141968.db2.gz YNEJDGVSVDBREQ-QFBILLFUSA-N 2 0 326.488 3.426 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000344451516 164181891 /nfs/dbraw/zinc/18/18/91/164181891.db2.gz BYQLQPPUTSGFQS-IAGOWNOFSA-N 2 0 347.503 3.219 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000156613381 287052298 /nfs/dbraw/zinc/05/22/98/287052298.db2.gz RLDNBVJENWEOKK-JKSUJKDBSA-N 2 0 342.462 3.384 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[NH+](CC)CC ZINC000345784501 164265167 /nfs/dbraw/zinc/26/51/67/164265167.db2.gz LAQIDDJGIDHXDI-SFHVURJKSA-N 2 0 346.519 3.055 20 0 EGADRP C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000345808751 164269768 /nfs/dbraw/zinc/26/97/68/164269768.db2.gz CCQSCYVGVTVQOF-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350952455 165086054 /nfs/dbraw/zinc/08/60/54/165086054.db2.gz SIJMUKQQGHYJIO-AWEZNQCLSA-N 2 0 335.517 3.009 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000352128095 165248754 /nfs/dbraw/zinc/24/87/54/165248754.db2.gz AVGYYCZZEPDEHU-SJORKVTESA-N 2 0 335.492 3.090 20 0 EGADRP CSC1(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000353230777 165685854 /nfs/dbraw/zinc/68/58/54/165685854.db2.gz STACLHZPJRXCAR-IEBWSBKVSA-N 2 0 347.572 3.066 20 0 EGADRP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cn2ccnc12 ZINC000355428968 166196920 /nfs/dbraw/zinc/19/69/20/166196920.db2.gz ZILWAHYGAYVTKY-HNNXBMFYSA-N 2 0 326.444 3.236 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCC(C)CC2)[C@@H](C)C1 ZINC000359024422 167041841 /nfs/dbraw/zinc/04/18/41/167041841.db2.gz DPRVBSFKAYVSAL-NUVZVAJJSA-N 2 0 340.552 3.308 20 0 EGADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000359232275 167102709 /nfs/dbraw/zinc/10/27/09/167102709.db2.gz IVEPIKFKXYEQFY-SIKLNZKXSA-N 2 0 336.479 3.339 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](C)C3)cc2)CC1 ZINC000360720166 167396204 /nfs/dbraw/zinc/39/62/04/167396204.db2.gz XOVWLMHFMBMOIJ-RXVVDRJESA-N 2 0 329.532 3.492 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000367894711 168281549 /nfs/dbraw/zinc/28/15/49/168281549.db2.gz FNLCLYNGMYBEJH-KBMXLJTQSA-N 2 0 334.426 3.483 20 0 EGADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000166365758 226156349 /nfs/dbraw/zinc/15/63/49/226156349.db2.gz QCNRJKROINLCQD-ZIAGYGMSSA-N 2 0 341.268 3.347 20 0 EGADRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000120828518 221685938 /nfs/dbraw/zinc/68/59/38/221685938.db2.gz RMIQTIAQMAJHOJ-FXAWDEMLSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000123602346 222304472 /nfs/dbraw/zinc/30/44/72/222304472.db2.gz WQYNPHDDZWSKJV-HNNXBMFYSA-N 2 0 346.496 3.003 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000165123439 264927470 /nfs/dbraw/zinc/92/74/70/264927470.db2.gz MDBROHLIDFPDPC-HCXYKTFWSA-N 2 0 337.552 3.158 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)[C@H](C)C1 ZINC000178424827 265315969 /nfs/dbraw/zinc/31/59/69/265315969.db2.gz FCPLYSUYVMTNFW-CZUORRHYSA-N 2 0 325.294 3.312 20 0 EGADRP CCn1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000178635316 265332905 /nfs/dbraw/zinc/33/29/05/265332905.db2.gz ZBWISTWWXWGLGG-KRWDZBQOSA-N 2 0 326.488 3.466 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000179192666 265366713 /nfs/dbraw/zinc/36/67/13/265366713.db2.gz IUQLVYNIMSIZNT-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000180077855 265394350 /nfs/dbraw/zinc/39/43/50/265394350.db2.gz PVFUTLUEUQVUOQ-HXUWFJFHSA-N 2 0 349.588 3.419 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C[C@@H](C)O1 ZINC000194268121 266102974 /nfs/dbraw/zinc/10/29/74/266102974.db2.gz AMDCTJAOUIVMGD-IAGOWNOFSA-N 2 0 342.487 3.056 20 0 EGADRP C[C@H](CCc1ccccc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250278632 266263099 /nfs/dbraw/zinc/26/30/99/266263099.db2.gz AMKATZZEMWGNJV-NJYVYQBISA-N 2 0 343.559 3.498 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000273311429 267017680 /nfs/dbraw/zinc/01/76/80/267017680.db2.gz WSCUYSNKYMBOIV-FGTMMUONSA-N 2 0 334.504 3.483 20 0 EGADRP Cc1[nH+]c2ccccc2c(NCCN2CCC([NH+](C)C)CC2)c1C ZINC000273400570 267034443 /nfs/dbraw/zinc/03/44/43/267034443.db2.gz WFMADOKWVJXONN-UHFFFAOYSA-N 2 0 326.488 3.290 20 0 EGADRP Cc1nccn1CCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274128113 267186171 /nfs/dbraw/zinc/18/61/71/267186171.db2.gz XZFGQTSWZKNZRN-WGMWDUQUSA-N 2 0 340.515 3.328 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC[NH+](C)C2CC2)cc1 ZINC000274587987 267259532 /nfs/dbraw/zinc/25/95/32/267259532.db2.gz PWCUVPXUFVEYBA-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H](C)C1 ZINC000274777257 267284882 /nfs/dbraw/zinc/28/48/82/267284882.db2.gz OHZHRZWXKWJVJV-PXNSSMCTSA-N 2 0 348.531 3.141 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911400 267305244 /nfs/dbraw/zinc/30/52/44/267305244.db2.gz NGSUACUAZUATAC-KCLUMXDGSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccsc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274951815 267310102 /nfs/dbraw/zinc/31/01/02/267310102.db2.gz VEIJLHYNPMQLLM-IEZWGBDMSA-N 2 0 330.497 3.282 20 0 EGADRP C[C@@H]([NH2+]CC1(CCO)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274948779 267310597 /nfs/dbraw/zinc/31/05/97/267310597.db2.gz UUJJRKYXKSEKEL-QUCCMNQESA-N 2 0 330.516 3.429 20 0 EGADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CCS2 ZINC000275357238 267349832 /nfs/dbraw/zinc/34/98/32/267349832.db2.gz RYRHCQXNGGTNMP-PKOBYXMFSA-N 2 0 347.572 3.456 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000276471279 267555060 /nfs/dbraw/zinc/55/50/60/267555060.db2.gz PFXSHRFBAGSHJC-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP CN1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489197 268024905 /nfs/dbraw/zinc/02/49/05/268024905.db2.gz BIMZPVJQFWNTRU-KSEOMHKRSA-N 2 0 341.543 3.361 20 0 EGADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000278527544 268032298 /nfs/dbraw/zinc/03/22/98/268032298.db2.gz SZKGCAVTDPLNTN-NVXWUHKLSA-N 2 0 345.487 3.019 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000278556890 268038989 /nfs/dbraw/zinc/03/89/89/268038989.db2.gz WGIUDQUNDWJOIR-YLJYHZDGSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000183951284 275211179 /nfs/dbraw/zinc/21/11/79/275211179.db2.gz NMVQGQIJKJLEFT-MRXNPFEDSA-N 2 0 345.487 3.416 20 0 EGADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000189025825 275219334 /nfs/dbraw/zinc/21/93/34/275219334.db2.gz FGXOFWJDVNSQJV-VLCRHTCISA-N 2 0 338.495 3.324 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCC[NH+]2CCCCC2)C1 ZINC000195185918 275231103 /nfs/dbraw/zinc/23/11/03/275231103.db2.gz ADOTVFUTBKCVJK-IBGZPJMESA-N 2 0 339.524 3.099 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263281624 275233454 /nfs/dbraw/zinc/23/34/54/275233454.db2.gz UICVPSPGPJELGG-QUCCMNQESA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000279510300 275336177 /nfs/dbraw/zinc/33/61/77/275336177.db2.gz AIOJEXDUTCSCKE-LEWJYISDSA-N 2 0 329.532 3.138 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000281249888 275533777 /nfs/dbraw/zinc/53/37/77/275533777.db2.gz FZYZAHGSCRNKQF-UHFFFAOYSA-N 2 0 330.476 3.003 20 0 EGADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000283466450 275726043 /nfs/dbraw/zinc/72/60/43/275726043.db2.gz ZEXQYIKFYQKQFP-SFHVURJKSA-N 2 0 333.520 3.070 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)[C@@H]2C1 ZINC000343949499 275776369 /nfs/dbraw/zinc/77/63/69/275776369.db2.gz YVVCEIWJPWCZIL-WMQCIHAUSA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000285574405 275890967 /nfs/dbraw/zinc/89/09/67/275890967.db2.gz IEGUPYDQSWTFIL-DLBZAZTESA-N 2 0 329.492 3.428 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947953 276061642 /nfs/dbraw/zinc/06/16/42/276061642.db2.gz MLYAOIDFABWAQZ-PXNSSMCTSA-N 2 0 347.466 3.192 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947955 276061664 /nfs/dbraw/zinc/06/16/64/276061664.db2.gz MLYAOIDFABWAQZ-XLIONFOSSA-N 2 0 347.466 3.192 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000287733473 276151740 /nfs/dbraw/zinc/15/17/40/276151740.db2.gz PGUVTNXIPBRSIH-XJKSGUPXSA-N 2 0 346.874 3.113 20 0 EGADRP COC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000287886655 276166824 /nfs/dbraw/zinc/16/68/24/276166824.db2.gz YTFXUXALSLNHAV-OAHLLOKOSA-N 2 0 328.859 3.488 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231517 276175981 /nfs/dbraw/zinc/17/59/81/276175981.db2.gz TWDBREZTGCEGKY-CEWLAPEOSA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC000170608588 276203068 /nfs/dbraw/zinc/20/30/68/276203068.db2.gz NCISLTXGLIKPMC-BQFCYCMXSA-N 2 0 349.494 3.186 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000346959054 276207330 /nfs/dbraw/zinc/20/73/30/276207330.db2.gz CUHYBKAJNIQKJM-ZWKOTPCHSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000289237316 276309156 /nfs/dbraw/zinc/30/91/56/276309156.db2.gz KURYLZKSTJGBRY-OAHLLOKOSA-N 2 0 345.512 3.472 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000349686155 276327769 /nfs/dbraw/zinc/32/77/69/276327769.db2.gz SFGVUJJKSCKPTA-IBGZPJMESA-N 2 0 334.504 3.465 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290534293 276508137 /nfs/dbraw/zinc/50/81/37/276508137.db2.gz ZMKHGFKFSQRYHU-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC4(CCCC4)CC3)cn2)CC1 ZINC000352823983 277113078 /nfs/dbraw/zinc/11/30/78/277113078.db2.gz PKUQKGCVRILXNI-UHFFFAOYSA-N 2 0 342.531 3.426 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000374567434 278278654 /nfs/dbraw/zinc/27/86/54/278278654.db2.gz CLPINIGKYUTTKJ-YGWPLHOASA-N 2 0 346.515 3.481 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000354744127 279101171 /nfs/dbraw/zinc/10/11/71/279101171.db2.gz HGRRXGZDTCCAJJ-ZWKOTPCHSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000344242491 279140472 /nfs/dbraw/zinc/14/04/72/279140472.db2.gz YCALVOMYLXDQLQ-WOJBJXKFSA-N 2 0 343.515 3.156 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000076042090 279154071 /nfs/dbraw/zinc/15/40/71/279154071.db2.gz GSLWRJHISSHUPG-AEFFLSMTSA-N 2 0 333.520 3.162 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000166013977 279761830 /nfs/dbraw/zinc/76/18/30/279761830.db2.gz AKYIJCFAOKPKSG-WMZOPIPTSA-N 2 0 332.488 3.379 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1Cl ZINC000060161692 307350660 /nfs/dbraw/zinc/35/06/60/307350660.db2.gz JLGYCZYSWFODKO-KRWDZBQOSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132489711 307658653 /nfs/dbraw/zinc/65/86/53/307658653.db2.gz NKUBMCYREQAJBF-RTWAWAEBSA-N 2 0 349.538 3.254 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1csc(-c2ccccc2)n1 ZINC000414125015 309062260 /nfs/dbraw/zinc/06/22/60/309062260.db2.gz PVHMHBMDIBPNTG-OAHLLOKOSA-N 2 0 345.512 3.165 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Cl ZINC000154366972 307793281 /nfs/dbraw/zinc/79/32/81/307793281.db2.gz GRQGMABOYIEWSM-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@H](CCC1CC1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414338395 309073977 /nfs/dbraw/zinc/07/39/77/309073977.db2.gz KKUNOCRIGYQJDK-MRXNPFEDSA-N 2 0 343.515 3.052 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000166000294 307930629 /nfs/dbraw/zinc/93/06/29/307930629.db2.gz QNKFRQUWXPZLHL-CZUORRHYSA-N 2 0 343.309 3.457 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850822 308072428 /nfs/dbraw/zinc/07/24/28/308072428.db2.gz UAPRLJNGOYZHDM-OAQYLSRUSA-N 2 0 337.467 3.188 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCOC3(C)C)CC2)cc1 ZINC000293651189 308149521 /nfs/dbraw/zinc/14/95/21/308149521.db2.gz INYYBZFBNQSPOT-IBGZPJMESA-N 2 0 332.488 3.064 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCN[C@H](c2nc[nH]n2)c2ccc(F)cc2)C1 ZINC000293670245 308151335 /nfs/dbraw/zinc/15/13/35/308151335.db2.gz JRXZUESHZBQLPX-YJBOKZPZSA-N 2 0 345.466 3.135 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CS1 ZINC000414497355 309084536 /nfs/dbraw/zinc/08/45/36/309084536.db2.gz KHELWYRINSYQHS-DOTOQJQBSA-N 2 0 333.545 3.201 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000293866369 308169233 /nfs/dbraw/zinc/16/92/33/308169233.db2.gz ZIRNGFZCQIMHIL-QGZVFWFLSA-N 2 0 327.476 3.184 20 0 EGADRP CSc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000295076341 308288585 /nfs/dbraw/zinc/28/85/85/308288585.db2.gz SPVDMFMPFSXXCP-SAKMYQHLSA-N 2 0 335.561 3.330 20 0 EGADRP CSc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000295076340 308288644 /nfs/dbraw/zinc/28/86/44/308288644.db2.gz SPVDMFMPFSXXCP-RGCFKVTRSA-N 2 0 335.561 3.330 20 0 EGADRP CSc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000295076342 308288684 /nfs/dbraw/zinc/28/86/84/308288684.db2.gz SPVDMFMPFSXXCP-SFUIVIKGSA-N 2 0 335.561 3.330 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CSC[C@@H]3C)CC2)cc1 ZINC000295189104 308301087 /nfs/dbraw/zinc/30/10/87/308301087.db2.gz NUJBAHRMZDSPCT-KXBFYZLASA-N 2 0 334.529 3.248 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000414642898 309093296 /nfs/dbraw/zinc/09/32/96/309093296.db2.gz KDPQHPPNPYAALF-DNVCBOLYSA-N 2 0 348.450 3.431 20 0 EGADRP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414700384 309096147 /nfs/dbraw/zinc/09/61/47/309096147.db2.gz GGZHAHRQICUXBR-UYAOXDASSA-N 2 0 343.515 3.028 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706324 309096371 /nfs/dbraw/zinc/09/63/71/309096371.db2.gz LPRKLBVZWHKPOV-PSWRPDDJSA-N 3 0 341.543 3.361 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])c2ccccc2C)c1 ZINC000296361835 308419565 /nfs/dbraw/zinc/41/95/65/308419565.db2.gz JNUFJHIEGSAIFK-HXUWFJFHSA-N 2 0 339.483 3.153 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NC(C)(C)C[NH3+])C1CCCCC1 ZINC000414706151 309096377 /nfs/dbraw/zinc/09/63/77/309096377.db2.gz GKHHCVBGEXDZRN-UHFFFAOYSA-N 2 0 332.492 3.310 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC[NH2+]1 ZINC000414715664 309097081 /nfs/dbraw/zinc/09/70/81/309097081.db2.gz ZBJGNEKGCVHHOJ-CKEIUWERSA-N 2 0 340.414 3.049 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414682424 309095396 /nfs/dbraw/zinc/09/53/96/309095396.db2.gz REJZNOVXLXNDDY-AEFFLSMTSA-N 2 0 335.923 3.236 20 0 EGADRP C[C@@H]([N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000414736349 309098031 /nfs/dbraw/zinc/09/80/31/309098031.db2.gz GOHSJJMNYPAYFP-IEBWSBKVSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Br)c1 ZINC000414764868 309099346 /nfs/dbraw/zinc/09/93/46/309099346.db2.gz DRYMLFUJPTYFCH-BMFZPTHFSA-N 2 0 337.305 3.484 20 0 EGADRP COc1cc(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000414767020 309099539 /nfs/dbraw/zinc/09/95/39/309099539.db2.gz JCIUPCFJGHDJAE-TXEJJXNPSA-N 2 0 329.271 3.433 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000414777348 309100243 /nfs/dbraw/zinc/10/02/43/309100243.db2.gz ICTKYHNMWOHINL-ROUUACIJSA-N 2 0 330.520 3.289 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC12CCOCC2 ZINC000414783233 309100774 /nfs/dbraw/zinc/10/07/74/309100774.db2.gz PRPUSNFNQBZGGD-OAHLLOKOSA-N 2 0 345.874 3.076 20 0 EGADRP Brc1ccsc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784449 309100989 /nfs/dbraw/zinc/10/09/89/309100989.db2.gz RHIAFEPCXREWQN-NWDGAFQWSA-N 2 0 329.307 3.332 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000414789946 309101489 /nfs/dbraw/zinc/10/14/89/309101489.db2.gz PCMQLLGJXGXOSZ-CVEARBPZSA-N 2 0 328.378 3.034 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2)cs1 ZINC000414803875 309102567 /nfs/dbraw/zinc/10/25/67/309102567.db2.gz OJQGYLZHJOTDLT-MAUKXSAKSA-N 2 0 331.485 3.248 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414805817 309102649 /nfs/dbraw/zinc/10/26/49/309102649.db2.gz PVIUMRBYWLWJIY-KSSFIOAISA-N 2 0 332.879 3.441 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414810977 309103056 /nfs/dbraw/zinc/10/30/56/309103056.db2.gz VTRXSAVBGOXQHZ-IEBWSBKVSA-N 2 0 325.456 3.364 20 0 EGADRP c1nn(-c2ccccc2)cc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298608686 308627691 /nfs/dbraw/zinc/62/76/91/308627691.db2.gz ZUDRAJGLFGIIAE-UHFFFAOYSA-N 2 0 347.466 3.068 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828572 309104234 /nfs/dbraw/zinc/10/42/34/309104234.db2.gz IXQHZLDMNASTMQ-STQMWFEESA-N 2 0 343.393 3.012 20 0 EGADRP Cc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000301660702 308709653 /nfs/dbraw/zinc/70/96/53/308709653.db2.gz JHQPHGSQGANYBH-INIZCTEOSA-N 2 0 331.435 3.187 20 0 EGADRP Cc1[nH+]c2ccccc2c(NC[C@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000302066001 308727830 /nfs/dbraw/zinc/72/78/30/308727830.db2.gz FCYXAZMFAIKCQB-KRWDZBQOSA-N 2 0 327.472 3.356 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414847759 309105266 /nfs/dbraw/zinc/10/52/66/309105266.db2.gz GBUBJHDBIWJRAK-DGCLKSJQSA-N 2 0 334.357 3.245 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000414932365 309109933 /nfs/dbraw/zinc/10/99/33/309109933.db2.gz VOZBIQWHPBFTJC-GHMZBOCLSA-N 2 0 349.219 3.410 20 0 EGADRP c1ccc(C(c2ccccc2)N2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000410066155 308914520 /nfs/dbraw/zinc/91/45/20/308914520.db2.gz UEGUZLIYKUKQHM-UHFFFAOYSA-N 2 0 349.522 3.393 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412388995 308984089 /nfs/dbraw/zinc/98/40/89/308984089.db2.gz FEFRIOJAEHTILH-SFHVURJKSA-N 2 0 343.515 3.229 20 0 EGADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)CC[NH3+])cc3)nc12 ZINC000414901348 309108328 /nfs/dbraw/zinc/10/83/28/309108328.db2.gz WXTUHHLXHFIIIA-INIZCTEOSA-N 2 0 338.455 3.049 20 0 EGADRP CC1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH2+]CC1 ZINC000414908553 309108676 /nfs/dbraw/zinc/10/86/76/309108676.db2.gz REALQAFLQDDWGQ-UHFFFAOYSA-N 2 0 334.357 3.246 20 0 EGADRP CC1(C[NH2+]Cc2csc(COc3ccccc3)n2)CC[NH2+]CC1 ZINC000414911487 309108837 /nfs/dbraw/zinc/10/88/37/309108837.db2.gz UFGAPVGDAIZCHR-UHFFFAOYSA-N 2 0 331.485 3.201 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000414932882 309109997 /nfs/dbraw/zinc/10/99/97/309109997.db2.gz WCRXKAHYPIDKJR-NWDGAFQWSA-N 2 0 349.219 3.410 20 0 EGADRP COCC1(C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414979722 309112693 /nfs/dbraw/zinc/11/26/93/309112693.db2.gz VFVSVVXPGLXZSZ-AWEZNQCLSA-N 2 0 344.421 3.242 20 0 EGADRP COCC1(C[NH2+]CCCc2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000414983699 309112827 /nfs/dbraw/zinc/11/28/27/309112827.db2.gz ZPMMEMKYPGNKAG-UHFFFAOYSA-N 2 0 328.859 3.018 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000414996683 309113295 /nfs/dbraw/zinc/11/32/95/309113295.db2.gz GQRZWYHFWBZHDI-QFBILLFUSA-N 2 0 325.456 3.268 20 0 EGADRP CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1OC(F)F ZINC000414997839 309113338 /nfs/dbraw/zinc/11/33/38/309113338.db2.gz QCKWCULHHCSKIQ-OCCSQVGLSA-N 2 0 328.403 3.294 20 0 EGADRP Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000415000944 309113687 /nfs/dbraw/zinc/11/36/87/309113687.db2.gz UJPRDAMJGIMZEP-DZGCQCFKSA-N 2 0 332.879 3.348 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000415026605 309115097 /nfs/dbraw/zinc/11/50/97/309115097.db2.gz UYPPLSQGTHNIOP-LLVKDONJSA-N 2 0 326.366 3.313 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000415028315 309115241 /nfs/dbraw/zinc/11/52/41/309115241.db2.gz YOLDTOBJVJRKGW-KRWDZBQOSA-N 2 0 349.482 3.210 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415029098 309115279 /nfs/dbraw/zinc/11/52/79/309115279.db2.gz DGSUMJPMDWFPKA-GXFFZTMASA-N 2 0 329.307 3.388 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415032845 309115420 /nfs/dbraw/zinc/11/54/20/309115420.db2.gz AZQISBPUSNTBCJ-HUUCEWRRSA-N 2 0 340.414 3.261 20 0 EGADRP CC(C)c1ccc([C@@H]([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)cc1 ZINC000415079001 309118764 /nfs/dbraw/zinc/11/87/64/309118764.db2.gz JKFNKSQEOXQSEG-UTKZUKDTSA-N 2 0 345.531 3.294 20 0 EGADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000415084171 309119245 /nfs/dbraw/zinc/11/92/45/309119245.db2.gz OHQFRSMUARUYRK-VAMGGRTRSA-N 2 0 342.531 3.328 20 0 EGADRP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000415088119 309119568 /nfs/dbraw/zinc/11/95/68/309119568.db2.gz XBGLFZDVASTMBP-RRFJBIMHSA-N 2 0 343.393 3.033 20 0 EGADRP CCn1c2ccccc2c2cc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)ccc21 ZINC000415115048 309121333 /nfs/dbraw/zinc/12/13/33/309121333.db2.gz TXIZNKHXVKEPOR-KRWDZBQOSA-N 2 0 337.467 3.364 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000415122479 309121888 /nfs/dbraw/zinc/12/18/88/309121888.db2.gz IJYBIQWDXKKDPD-WBVHZDCISA-N 2 0 340.414 3.006 20 0 EGADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415123402 309121969 /nfs/dbraw/zinc/12/19/69/309121969.db2.gz JLALHMGETGJZDK-AEFFLSMTSA-N 2 0 338.879 3.067 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415125390 309122165 /nfs/dbraw/zinc/12/21/65/309122165.db2.gz LDGYCTCUBWUVGX-GXTWGEPZSA-N 2 0 346.393 3.053 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Cl)c3F)CC2)C1 ZINC000415127798 309122379 /nfs/dbraw/zinc/12/23/79/309122379.db2.gz RKMXUPOYQRFACO-GDBMZVCRSA-N 2 0 326.843 3.197 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415129355 309122600 /nfs/dbraw/zinc/12/26/00/309122600.db2.gz PHCOOGAMLOFAGP-BBRMVZONSA-N 2 0 330.451 3.045 20 0 EGADRP COc1cccc(Cl)c1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415131896 309122699 /nfs/dbraw/zinc/12/26/99/309122699.db2.gz SQBYBTFUKHCIQC-SJLPKXTDSA-N 2 0 338.879 3.067 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000415132705 309122799 /nfs/dbraw/zinc/12/27/99/309122799.db2.gz UJNCCZCZGQBAFK-MSOLQXFVSA-N 2 0 338.879 3.067 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000415908354 309147624 /nfs/dbraw/zinc/14/76/24/309147624.db2.gz DBJSFZRKTLZXKA-SFHVURJKSA-N 2 0 346.519 3.286 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000415929837 309149499 /nfs/dbraw/zinc/14/94/99/309149499.db2.gz HNAPUDNSMPECEP-UHFFFAOYSA-N 2 0 332.492 3.184 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000415942013 309150278 /nfs/dbraw/zinc/15/02/78/309150278.db2.gz HXQUUHKKSFDOMI-UHFFFAOYSA-N 2 0 346.500 3.063 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970696 309152006 /nfs/dbraw/zinc/15/20/06/309152006.db2.gz FSPYYNVSRUNGQD-IYBDPMFKSA-N 2 0 332.492 3.025 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000415971671 309152079 /nfs/dbraw/zinc/15/20/79/309152079.db2.gz GOYLXSNIIDKSBJ-UHFFFAOYSA-N 2 0 340.471 3.309 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC000415987459 309153151 /nfs/dbraw/zinc/15/31/51/309153151.db2.gz XPBDPIPAAPXVHD-SFHVURJKSA-N 2 0 332.492 3.038 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000415990674 309153429 /nfs/dbraw/zinc/15/34/29/309153429.db2.gz NVZSCPOGZDUGDI-IBGZPJMESA-N 2 0 346.519 3.284 20 0 EGADRP C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000416128784 309159919 /nfs/dbraw/zinc/15/99/19/309159919.db2.gz GYCHNAAACRKGOT-AOIWGVFYSA-N 2 0 331.504 3.059 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000416147686 309160952 /nfs/dbraw/zinc/16/09/52/309160952.db2.gz RSABZUANDRLNLP-UXHICEINSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416210990 309163985 /nfs/dbraw/zinc/16/39/85/309163985.db2.gz UIVCVHMMAQGMAO-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000417935258 309228840 /nfs/dbraw/zinc/22/88/40/309228840.db2.gz GNHVUQOACPZJJU-IBGZPJMESA-N 2 0 346.515 3.215 20 0 EGADRP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000419137813 309260704 /nfs/dbraw/zinc/26/07/04/309260704.db2.gz PVLYDADSVRUPDE-GOSISDBHSA-N 2 0 345.531 3.315 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420298643 309280248 /nfs/dbraw/zinc/28/02/48/309280248.db2.gz FMTNBHVCBIHZRQ-ACRUOGEOSA-N 2 0 326.484 3.391 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420308291 309280989 /nfs/dbraw/zinc/28/09/89/309280989.db2.gz NJSBGQJWUUWSHC-LXZKKBNFSA-N 2 0 342.439 3.169 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000420319261 309281936 /nfs/dbraw/zinc/28/19/36/309281936.db2.gz OZMXCGOTNZXPQJ-UONOGXRCSA-N 2 0 330.863 3.275 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000420323477 309282264 /nfs/dbraw/zinc/28/22/64/309282264.db2.gz XYZFJHCICYOJPG-PBHICJAKSA-N 2 0 335.373 3.275 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000420327353 309282324 /nfs/dbraw/zinc/28/23/24/309282324.db2.gz YOIKMMDXBMERTB-IRXDYDNUSA-N 2 0 345.512 3.382 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329434 309282531 /nfs/dbraw/zinc/28/25/31/309282531.db2.gz GTZMNSUJTYPKGB-RYQLBKOJSA-N 2 0 337.467 3.098 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(OCCC(C)C)CC2)cc1 ZINC000420328402 309282669 /nfs/dbraw/zinc/28/26/69/309282669.db2.gz ZIKKMJKDBYCACG-GOSISDBHSA-N 2 0 334.504 3.265 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339517 309283203 /nfs/dbraw/zinc/28/32/03/309283203.db2.gz LXJQPPSVFATALD-HZPDHXFCSA-N 2 0 347.528 3.059 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344061 309283455 /nfs/dbraw/zinc/28/34/55/309283455.db2.gz RVRDGXOYAPOXQI-JYJNAYRXSA-N 2 0 347.528 3.057 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420345762 309283485 /nfs/dbraw/zinc/28/34/85/309283485.db2.gz WOGFOSMPPLWWNS-HNAYVOBHSA-N 2 0 329.488 3.040 20 0 EGADRP FC(F)(F)c1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420357455 309283859 /nfs/dbraw/zinc/28/38/59/309283859.db2.gz HWJSLVSQKLZIGX-OAHLLOKOSA-N 2 0 341.421 3.217 20 0 EGADRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000420359430 309284070 /nfs/dbraw/zinc/28/40/70/309284070.db2.gz KMEQJFQRAHMGEA-IAGOWNOFSA-N 2 0 326.488 3.440 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000420366351 309284355 /nfs/dbraw/zinc/28/43/55/309284355.db2.gz UDKPPVIUAAHYIF-LJQANCHMSA-N 2 0 325.456 3.012 20 0 EGADRP COc1ccccc1COC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420376651 309285034 /nfs/dbraw/zinc/28/50/34/309285034.db2.gz QXQOACWJDKMVPS-UHFFFAOYSA-N 2 0 332.488 3.066 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3Cl)CC2)C1 ZINC000420396727 309286310 /nfs/dbraw/zinc/28/63/10/309286310.db2.gz WFDIGEURWCQXNN-WBVHZDCISA-N 2 0 326.843 3.197 20 0 EGADRP Cc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(-c2ccnn2C)c1 ZINC000421366707 309320713 /nfs/dbraw/zinc/32/07/13/309320713.db2.gz DEAMYBKJBCCUFV-UHFFFAOYSA-N 2 0 326.488 3.358 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc4occc4c3)CC2)CC1 ZINC000421381919 309321803 /nfs/dbraw/zinc/32/18/03/309321803.db2.gz XLYBXBDLPLVRRE-UHFFFAOYSA-N 2 0 341.499 3.425 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421383613 309321866 /nfs/dbraw/zinc/32/18/66/309321866.db2.gz ZPJKBXWYPVORBB-UHFFFAOYSA-N 2 0 330.451 3.282 20 0 EGADRP COC1([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398883 309322976 /nfs/dbraw/zinc/32/29/76/309322976.db2.gz GWHIJZLRXNZZEX-BJLQDIEVSA-N 2 0 346.515 3.071 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1)C1CC1 ZINC000421683122 309334422 /nfs/dbraw/zinc/33/44/22/309334422.db2.gz CPHMTZODQXXSHH-UHFFFAOYSA-N 2 0 343.515 3.274 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)CCCCC1 ZINC000421857870 309343782 /nfs/dbraw/zinc/34/37/82/309343782.db2.gz QJRAVAJBPCJLCB-QGZVFWFLSA-N 2 0 349.519 3.240 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422699391 309363482 /nfs/dbraw/zinc/36/34/82/309363482.db2.gz DFSLMEXJFMSZJX-LSDHHAIUSA-N 2 0 329.257 3.380 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701416 309363815 /nfs/dbraw/zinc/36/38/15/309363815.db2.gz IMQWGJQABKUSKJ-RCBQFDQVSA-N 2 0 342.405 3.079 20 0 EGADRP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC1CCCC1 ZINC000422702876 309363836 /nfs/dbraw/zinc/36/38/36/309363836.db2.gz GETCJACDFVGABB-SJPCQFCGSA-N 2 0 330.472 3.389 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422707232 309363966 /nfs/dbraw/zinc/36/39/66/309363966.db2.gz GXHNNTUDAFVXPC-CQSZACIVSA-N 2 0 329.419 3.295 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000422710098 309364136 /nfs/dbraw/zinc/36/41/36/309364136.db2.gz KXJINURZFSVAAA-DLBZAZTESA-N 2 0 346.515 3.264 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000422711167 309364177 /nfs/dbraw/zinc/36/41/77/309364177.db2.gz MZRVPUPTEVJKDP-QUCCMNQESA-N 2 0 337.467 3.464 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000422710389 309364288 /nfs/dbraw/zinc/36/42/88/309364288.db2.gz LCVHLXKBMKLJEN-KURKYZTESA-N 2 0 331.504 3.174 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422718251 309364541 /nfs/dbraw/zinc/36/45/41/309364541.db2.gz WUDFYTZQMYYYDY-VQIMIIECSA-N 2 0 341.430 3.295 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422727329 309365238 /nfs/dbraw/zinc/36/52/38/309365238.db2.gz CDKIWFJCQPZAPE-QXAKKESOSA-N 2 0 343.540 3.433 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000422736657 309365934 /nfs/dbraw/zinc/36/59/34/309365934.db2.gz YNFUDCHQOLLWIW-QHAWAJNXSA-N 2 0 338.499 3.332 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422775537 309367772 /nfs/dbraw/zinc/36/77/72/309367772.db2.gz BSNLIZWMHKLQEI-HNAYVOBHSA-N 2 0 341.455 3.490 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000422780913 309367823 /nfs/dbraw/zinc/36/78/23/309367823.db2.gz KZBYHPQCOGRJSF-IJXRJRJASA-N 2 0 342.483 3.180 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000422781095 309367838 /nfs/dbraw/zinc/36/78/38/309367838.db2.gz KIUVNMWAKOYBGZ-DLBZAZTESA-N 2 0 332.488 3.010 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000422783844 309368110 /nfs/dbraw/zinc/36/81/10/309368110.db2.gz OUYLZQGHRNNUCE-PZJWPPBQSA-N 3 0 345.531 3.014 20 0 EGADRP Cc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422789072 309368290 /nfs/dbraw/zinc/36/82/90/309368290.db2.gz SZNDCFSFVCSICY-QMMLZNLJSA-N 2 0 325.500 3.146 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422791431 309368533 /nfs/dbraw/zinc/36/85/33/309368533.db2.gz YKMMDBHIXVREFD-RTWAWAEBSA-N 3 0 345.531 3.027 20 0 EGADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000422804012 309369237 /nfs/dbraw/zinc/36/92/37/309369237.db2.gz GUIDWPZEVXWWKB-GUDVDZBRSA-N 2 0 338.499 3.311 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000422812544 309369841 /nfs/dbraw/zinc/36/98/41/309369841.db2.gz QQNWAWFMEKFUHG-CMKODMSKSA-N 2 0 330.472 3.037 20 0 EGADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422821381 309370269 /nfs/dbraw/zinc/37/02/69/309370269.db2.gz VWBWPTUTSNJWNP-XUVXKRRUSA-N 2 0 333.495 3.158 20 0 EGADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])c2)cc1 ZINC000422823406 309370345 /nfs/dbraw/zinc/37/03/45/309370345.db2.gz LMICNTDFLXLMMY-FASAQXTFSA-N 2 0 346.496 3.266 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000422823854 309370446 /nfs/dbraw/zinc/37/04/46/309370446.db2.gz MKQPAOFQQSHFPV-MSOLQXFVSA-N 2 0 338.451 3.470 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCCOc1ccc(F)cc1 ZINC000422837461 309371113 /nfs/dbraw/zinc/37/11/13/309371113.db2.gz UNSBIRPKVFYZKY-AWEZNQCLSA-N 2 0 331.435 3.498 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422838767 309371201 /nfs/dbraw/zinc/37/12/01/309371201.db2.gz XZMKFZWJSCZMBS-BWAGFHJFSA-N 2 0 337.511 3.199 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842329 309371509 /nfs/dbraw/zinc/37/15/09/309371509.db2.gz YCOOFRKPCLPHQZ-PBHICJAKSA-N 2 0 344.890 3.432 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422842765 309371547 /nfs/dbraw/zinc/37/15/47/309371547.db2.gz GIXUJRXXCBMQAN-RDTXWAMCSA-N 2 0 329.419 3.491 20 0 EGADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422851709 309371999 /nfs/dbraw/zinc/37/19/99/309371999.db2.gz FSSWVHSQRFSOBQ-HSALFYBXSA-N 2 0 346.515 3.421 20 0 EGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422852366 309372111 /nfs/dbraw/zinc/37/21/11/309372111.db2.gz QNOZEWNLXPFDEF-FCGDIQPGSA-N 2 0 343.515 3.032 20 0 EGADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422860126 309372318 /nfs/dbraw/zinc/37/23/18/309372318.db2.gz LOXWIUXRBSSTRA-NJDAHSKKSA-N 2 0 338.499 3.315 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000422869172 309372882 /nfs/dbraw/zinc/37/28/82/309372882.db2.gz WULDAEFASHAJGB-SGMGOOAPSA-N 2 0 328.403 3.335 20 0 EGADRP Cc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+]2CCCC2)o1 ZINC000422876268 309373395 /nfs/dbraw/zinc/37/33/95/309373395.db2.gz FKCMVECOOIJNLG-HOJAQTOUSA-N 2 0 341.499 3.273 20 0 EGADRP CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422883039 309373846 /nfs/dbraw/zinc/37/38/46/309373846.db2.gz UCVLKZVSQCYKSW-LPHOPBHVSA-N 2 0 346.519 3.111 20 0 EGADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)o1 ZINC000422884891 309374171 /nfs/dbraw/zinc/37/41/71/309374171.db2.gz XWMGLJXUDGEYKN-HNAYVOBHSA-N 2 0 342.487 3.238 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887465 309374275 /nfs/dbraw/zinc/37/42/75/309374275.db2.gz YTVFZFAWTNXVLH-BEFAXECRSA-N 2 0 341.524 3.045 20 0 EGADRP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422888856 309374448 /nfs/dbraw/zinc/37/44/48/309374448.db2.gz OEUNPLGBUHMRGI-LWYYNNOASA-N 2 0 347.547 3.068 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc3ccccc3s2)CC[NH2+]CC1 ZINC000422901936 309375183 /nfs/dbraw/zinc/37/51/83/309375183.db2.gz LWDFBFGDPIHRQH-AWEZNQCLSA-N 2 0 346.496 3.312 20 0 EGADRP COc1ccc(COCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422904319 309375392 /nfs/dbraw/zinc/37/53/92/309375392.db2.gz GUHJYUQWURQIJZ-XUVXKRRUSA-N 2 0 332.488 3.112 20 0 EGADRP CCOc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422905452 309375501 /nfs/dbraw/zinc/37/55/01/309375501.db2.gz SDXKMKPRBREVIQ-PZJWPPBQSA-N 2 0 338.451 3.431 20 0 EGADRP FC(F)n1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc2ccccc21 ZINC000422909948 309375914 /nfs/dbraw/zinc/37/59/14/309375914.db2.gz GZHAOJXGIQLNLQ-ZNMIVQPWSA-N 2 0 348.441 3.484 20 0 EGADRP Fc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000422935975 309377049 /nfs/dbraw/zinc/37/70/49/309377049.db2.gz LLJMRFMTESRYDS-FUNVUKJBSA-N 2 0 327.241 3.003 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422961527 309378469 /nfs/dbraw/zinc/37/84/69/309378469.db2.gz ZBHMZDUZDQZRGF-GJZGRUSLSA-N 2 0 334.851 3.182 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422964558 309378818 /nfs/dbraw/zinc/37/88/18/309378818.db2.gz ITQFVGCHMQRFOB-YWZLYKJASA-N 2 0 341.499 3.302 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422978082 309379254 /nfs/dbraw/zinc/37/92/54/309379254.db2.gz GUZOUBPKRVYBOW-HIFRSBDPSA-N 2 0 334.851 3.040 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005320 309380502 /nfs/dbraw/zinc/38/05/02/309380502.db2.gz RICIIRSWFWNINW-JKSUJKDBSA-N 2 0 330.394 3.373 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423008480 309380641 /nfs/dbraw/zinc/38/06/41/309380641.db2.gz SUUTXZWAVRIPSV-OXQOHEQNSA-N 3 0 327.472 3.129 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423019428 309381315 /nfs/dbraw/zinc/38/13/15/309381315.db2.gz VOCWJHLUVBNEJA-JMSVASOKSA-N 2 0 329.282 3.242 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCCC[C@H]3C[NH3+])c2)CC1 ZINC000423025107 309381670 /nfs/dbraw/zinc/38/16/70/309381670.db2.gz KPCBMUUJZGEAJN-PXNSSMCTSA-N 2 0 330.520 3.146 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423029253 309381868 /nfs/dbraw/zinc/38/18/68/309381868.db2.gz HWJIBKJHOSMDMZ-LPHOPBHVSA-N 2 0 326.488 3.488 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031261 309381945 /nfs/dbraw/zinc/38/19/45/309381945.db2.gz WXLQORNGHYIMTQ-GLFJAGTFSA-N 2 0 339.886 3.060 20 0 EGADRP COC1CCC(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423038206 309382462 /nfs/dbraw/zinc/38/24/62/309382462.db2.gz NZGFQLYEDNCYPV-RHZYHWHBSA-N 2 0 344.499 3.427 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000423046913 309382865 /nfs/dbraw/zinc/38/28/65/309382865.db2.gz FITOCZCBYHQIOY-YYFZDKIDSA-N 2 0 326.488 3.191 20 0 EGADRP Fc1ccc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423049908 309382991 /nfs/dbraw/zinc/38/29/91/309382991.db2.gz KHHHXARFYCZOHM-AYOQOUSVSA-N 2 0 338.442 3.034 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423049668 309383061 /nfs/dbraw/zinc/38/30/61/309383061.db2.gz KELYIDBKAHRKOV-QFUCXCTJSA-N 2 0 343.515 3.096 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3sccc32)CC[NH2+]CC1 ZINC000423054387 309383408 /nfs/dbraw/zinc/38/34/08/309383408.db2.gz URQTUIFXZGKLGY-DZGCQCFKSA-N 2 0 336.501 3.037 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423058859 309383530 /nfs/dbraw/zinc/38/35/30/309383530.db2.gz KKNVXFQSDBQQGE-IXDOHACOSA-N 2 0 342.405 3.261 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423058858 309383626 /nfs/dbraw/zinc/38/36/26/309383626.db2.gz KKNVXFQSDBQQGE-GVDBMIGSSA-N 2 0 342.405 3.261 20 0 EGADRP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423064797 309383905 /nfs/dbraw/zinc/38/39/05/309383905.db2.gz ZUGGMIRYXJNEFR-UQVNRYHBSA-N 2 0 328.500 3.145 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1C ZINC000423087030 309385138 /nfs/dbraw/zinc/38/51/38/309385138.db2.gz NAHKVNXYNUWFPH-PCCBWWKXSA-N 2 0 342.527 3.472 20 0 EGADRP c1ccc(N2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423089581 309385303 /nfs/dbraw/zinc/38/53/03/309385303.db2.gz VMYFIAGPJSKYEP-AYWYSENESA-N 2 0 327.516 3.413 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093258 309385489 /nfs/dbraw/zinc/38/54/89/309385489.db2.gz GUNASGAFVNVGRP-GOEBONIOSA-N 2 0 330.394 3.277 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1C[NH2+]C1 ZINC000423105291 309386128 /nfs/dbraw/zinc/38/61/28/309386128.db2.gz YYHLZIONUMCWAC-IRUJWGPZSA-N 2 0 327.241 3.032 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CC(C)(c3ccccc3)C2)CC[NH2+]CC1 ZINC000423111409 309386538 /nfs/dbraw/zinc/38/65/38/309386538.db2.gz WRJYJICYQUJMOQ-PPDQVPDSSA-N 2 0 344.499 3.018 20 0 EGADRP Brc1cccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c21 ZINC000423120926 309386866 /nfs/dbraw/zinc/38/68/66/309386866.db2.gz HVPATWOGSJXXSL-PBWFPOADSA-N 2 0 348.288 3.346 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C3CC3)ccc2F)CC[NH2+]CC1 ZINC000423145586 309388237 /nfs/dbraw/zinc/38/82/37/309388237.db2.gz LMFLQQCLOJHRIM-AWEZNQCLSA-N 2 0 348.462 3.114 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423143739 309388255 /nfs/dbraw/zinc/38/82/55/309388255.db2.gz XSGIFIVSXRCRAG-QHAWAJNXSA-N 2 0 346.515 3.250 20 0 EGADRP Brc1ccc2c(c1)[C@@H](N[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423184810 309389505 /nfs/dbraw/zinc/38/95/05/309389505.db2.gz IRQNHKCNOCGKAL-YPMHNXCESA-N 2 0 327.291 3.328 20 0 EGADRP Cc1cccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423190465 309389745 /nfs/dbraw/zinc/38/97/45/309389745.db2.gz SJMNNAMAUQSOCG-OAQYLSRUSA-N 2 0 341.474 3.108 20 0 EGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cc1 ZINC000423199468 309390152 /nfs/dbraw/zinc/39/01/52/309390152.db2.gz BPVCUVUOURQPMD-KRWDZBQOSA-N 2 0 325.456 3.035 20 0 EGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423201395 309390355 /nfs/dbraw/zinc/39/03/55/309390355.db2.gz IODOQJLJFFGOGD-JTQLQIEISA-N 2 0 336.694 3.203 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1I ZINC000423212661 309390750 /nfs/dbraw/zinc/39/07/50/309390750.db2.gz IXXOWMJRKLDOMP-UNXYVOJBSA-N 2 0 344.240 3.212 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423250924 309392311 /nfs/dbraw/zinc/39/23/11/309392311.db2.gz RFQDCRDANRWMGS-UVUJQTEASA-N 3 0 341.543 3.266 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423249977 309392417 /nfs/dbraw/zinc/39/24/17/309392417.db2.gz PSCVLTBKWQCQDV-HOTGVXAUSA-N 2 0 332.492 3.211 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000423273496 309393499 /nfs/dbraw/zinc/39/34/99/309393499.db2.gz JBECAJLOEBUZIV-OAOYMFHYSA-N 2 0 330.472 3.275 20 0 EGADRP [NH3+]C[C@@H](N[C@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423283039 309393955 /nfs/dbraw/zinc/39/39/55/309393955.db2.gz VSBAAAMWIYJFSC-UONOGXRCSA-N 2 0 329.669 3.417 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000423285574 309394214 /nfs/dbraw/zinc/39/42/14/309394214.db2.gz ZJLQFLYYJSIHBT-FPMFFAJLSA-N 2 0 328.403 3.465 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000423302911 309394543 /nfs/dbraw/zinc/39/45/43/309394543.db2.gz WJPRDPHMWQPZDK-RBUKOAKNSA-N 2 0 339.483 3.132 20 0 EGADRP COCCC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000423298256 309394545 /nfs/dbraw/zinc/39/45/45/309394545.db2.gz NUOFYXMLSKMBRT-WFASDCNBSA-N 2 0 329.282 3.101 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c2cccs2)CC1 ZINC000423299321 309394568 /nfs/dbraw/zinc/39/45/68/309394568.db2.gz BSRAUSQAAWZCGR-YESZJQIVSA-N 2 0 349.544 3.025 20 0 EGADRP COCCC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)cc1 ZINC000423322328 309395170 /nfs/dbraw/zinc/39/51/70/309395170.db2.gz IEFVAIIUOKOGSA-OAHLLOKOSA-N 2 0 341.293 3.388 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423336365 309395682 /nfs/dbraw/zinc/39/56/82/309395682.db2.gz SKGKBQQNHPCZNJ-CQSZACIVSA-N 2 0 330.451 3.360 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000423344939 309396373 /nfs/dbraw/zinc/39/63/73/309396373.db2.gz FOLQNIBWGAAVES-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423357556 309396729 /nfs/dbraw/zinc/39/67/29/309396729.db2.gz IIMXDJFIWYBFSA-MRXNPFEDSA-N 2 0 339.483 3.477 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423357235 309396779 /nfs/dbraw/zinc/39/67/79/309396779.db2.gz LYAGSXOMFZMMHI-DOIPELPJSA-N 2 0 327.516 3.019 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423357563 309396806 /nfs/dbraw/zinc/39/68/06/309396806.db2.gz MHXUCLXAXYYGJD-HOJAQTOUSA-N 2 0 349.563 3.397 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423359833 309397014 /nfs/dbraw/zinc/39/70/14/309397014.db2.gz KZDLSTNMDDATLJ-NTDBWNAOSA-N 2 0 345.531 3.195 20 0 EGADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000423358911 309397041 /nfs/dbraw/zinc/39/70/41/309397041.db2.gz UOJVPSHMZDGAOV-QFBILLFUSA-N 2 0 329.488 3.042 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423378815 309397821 /nfs/dbraw/zinc/39/78/21/309397821.db2.gz WQSXWBLVFGXXPE-HONMWMINSA-N 2 0 329.257 3.379 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423384774 309397872 /nfs/dbraw/zinc/39/78/72/309397872.db2.gz QKTPIUTUWMUVKS-QSFXBCCZSA-N 2 0 325.456 3.104 20 0 EGADRP C[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423383491 309398047 /nfs/dbraw/zinc/39/80/47/309398047.db2.gz JLEXIVFUUQZRTE-VQIMIIECSA-N 2 0 333.520 3.056 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OCC[NH+](C)C)cc1 ZINC000423384351 309398053 /nfs/dbraw/zinc/39/80/53/309398053.db2.gz KZKOKOXBHDZNEX-MRXNPFEDSA-N 3 0 339.483 3.081 20 0 EGADRP CC(C)CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccoc1 ZINC000423387582 309398092 /nfs/dbraw/zinc/39/80/92/309398092.db2.gz MFJHXNXTBLIINB-CVEARBPZSA-N 2 0 347.425 3.183 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]([NH3+])C1CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000423399971 309398519 /nfs/dbraw/zinc/39/85/19/309398519.db2.gz FHUNGGMZIQNIDX-YJBOKZPZSA-N 2 0 331.504 3.140 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC[NH2+]CC1 ZINC000423396250 309398596 /nfs/dbraw/zinc/39/85/96/309398596.db2.gz BANWXBBXLCXMRO-QGZVFWFLSA-N 2 0 334.529 3.446 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc1 ZINC000423413296 309399181 /nfs/dbraw/zinc/39/91/81/309399181.db2.gz YRCRCZSPBHHDHK-OAHLLOKOSA-N 2 0 341.455 3.289 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1 ZINC000423416232 309399496 /nfs/dbraw/zinc/39/94/96/309399496.db2.gz CEYIIAMZOCYVBK-IIDMSEBBSA-N 2 0 330.451 3.003 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(I)cc1 ZINC000423429018 309400158 /nfs/dbraw/zinc/40/01/58/309400158.db2.gz JVMFNEJZTISAJW-NWDGAFQWSA-N 2 0 346.256 3.459 20 0 EGADRP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539228 309405590 /nfs/dbraw/zinc/40/55/90/309405590.db2.gz HZBHNLVQLJXSNM-ZHRONYKTSA-N 2 0 335.289 3.414 20 0 EGADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000423526417 309404949 /nfs/dbraw/zinc/40/49/49/309404949.db2.gz ZHLROHPHTXHNMR-OXQOHEQNSA-N 2 0 335.455 3.398 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1OC(F)F ZINC000423539408 309405634 /nfs/dbraw/zinc/40/56/34/309405634.db2.gz IGASPCLBAUWWDG-FMCLSXCISA-N 2 0 328.378 3.466 20 0 EGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423541735 309405741 /nfs/dbraw/zinc/40/57/41/309405741.db2.gz LQCYZWVFJWZLEI-IARIHHJXSA-N 2 0 335.289 3.414 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000423740093 309411153 /nfs/dbraw/zinc/41/11/53/309411153.db2.gz IJWBAJRFGPBLEZ-ZCNNSNEGSA-N 2 0 343.515 3.017 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423778688 309412217 /nfs/dbraw/zinc/41/22/17/309412217.db2.gz HOOVJIOZSVQHSF-GOSISDBHSA-N 2 0 333.520 3.293 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC12CCCCC2 ZINC000423893987 309419146 /nfs/dbraw/zinc/41/91/46/309419146.db2.gz GVVFFYQCKTUAAC-KRWDZBQOSA-N 2 0 335.536 3.009 20 0 EGADRP CCC(C)(C)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000423900425 309419345 /nfs/dbraw/zinc/41/93/45/309419345.db2.gz KAGROUHUYNSMEX-UHFFFAOYSA-N 2 0 345.531 3.194 20 0 EGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424008284 309425150 /nfs/dbraw/zinc/42/51/50/309425150.db2.gz WAVDDSZTIWTXMF-NRFANRHFSA-N 2 0 349.478 3.069 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000430724336 309616193 /nfs/dbraw/zinc/61/61/93/309616193.db2.gz VEKCQYJMPDLHIW-HQRMLTQVSA-N 2 0 345.531 3.282 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[NH2+][C@H](C)c1ccccc1 ZINC000444166824 309915160 /nfs/dbraw/zinc/91/51/60/309915160.db2.gz LGMBQADKAOYLEE-IMFGXOCKSA-N 2 0 343.515 3.012 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000448356525 310002745 /nfs/dbraw/zinc/00/27/45/310002745.db2.gz SKVACFYEMZRBSH-FQEVSTJZSA-N 2 0 345.531 3.075 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCC[C@H]1C ZINC000449071197 310034705 /nfs/dbraw/zinc/03/47/05/310034705.db2.gz GOQLBABIMPRIAG-ZHALLVOQSA-N 2 0 330.520 3.138 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449121658 310038641 /nfs/dbraw/zinc/03/86/41/310038641.db2.gz INUXOACJDQVPJM-IEBWSBKVSA-N 2 0 336.907 3.270 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000449203876 310044293 /nfs/dbraw/zinc/04/42/93/310044293.db2.gz IJEPODNMPXXBKR-TYCQWZJGSA-N 2 0 328.500 3.239 20 0 EGADRP c1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)n(C2CCCC2)n1 ZINC000449252670 310047814 /nfs/dbraw/zinc/04/78/14/310047814.db2.gz RGVUNUFLQNVGDE-UHFFFAOYSA-N 2 0 339.487 3.399 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449252380 310047831 /nfs/dbraw/zinc/04/78/31/310047831.db2.gz QODYWLMLDHPEAC-UHFFFAOYSA-N 2 0 346.272 3.349 20 0 EGADRP c1cc2c(cc1C[NH2+]CC1CC[NH+](C3CC3)CC1)OCCCCO2 ZINC000449285369 310050189 /nfs/dbraw/zinc/05/01/89/310050189.db2.gz DVWNSAOSFRXUNC-UHFFFAOYSA-N 2 0 330.472 3.202 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000449312931 310052556 /nfs/dbraw/zinc/05/25/56/310052556.db2.gz NPJKNNNXMGWMDG-QGZVFWFLSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)NC23CCC3)CC1 ZINC000449312930 310052559 /nfs/dbraw/zinc/05/25/59/310052559.db2.gz NPJKNNNXMGWMDG-KRWDZBQOSA-N 2 0 349.563 3.457 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449816593 310088857 /nfs/dbraw/zinc/08/88/57/310088857.db2.gz YMOGCOCVOAXEMR-HKUYNNGSSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450326636 310115799 /nfs/dbraw/zinc/11/57/99/310115799.db2.gz IIJHSWIKSUYAJU-KZNAEPCWSA-N 2 0 343.506 3.302 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000451132994 310162071 /nfs/dbraw/zinc/16/20/71/310162071.db2.gz YDWRVSIGPHBXCW-IUVQAAGXSA-N 2 0 349.494 3.184 20 0 EGADRP CO[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561652 310186579 /nfs/dbraw/zinc/18/65/79/310186579.db2.gz IHCKGAIJULOCCS-HNGSOEQISA-N 2 0 338.536 3.036 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC000451975920 310206113 /nfs/dbraw/zinc/20/61/13/310206113.db2.gz ANECGEGMUMUGOR-UHFFFAOYSA-N 2 0 325.447 3.130 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC000451984962 310206609 /nfs/dbraw/zinc/20/66/09/310206609.db2.gz LPZBPJDPUHBQDN-UHFFFAOYSA-N 2 0 337.939 3.278 20 0 EGADRP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453056038 310254591 /nfs/dbraw/zinc/25/45/91/310254591.db2.gz KOCGQNKAFUCZLD-QHAWAJNXSA-N 2 0 338.499 3.306 20 0 EGADRP CC(C)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453119218 310259234 /nfs/dbraw/zinc/25/92/34/310259234.db2.gz MBINUWVITYWPCC-VAMGGRTRSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453126245 310259734 /nfs/dbraw/zinc/25/97/34/310259734.db2.gz OSIQVZNMRIYTKJ-UGKANONSSA-N 2 0 330.516 3.426 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453148573 310260869 /nfs/dbraw/zinc/26/08/69/310260869.db2.gz ZIXZHINJNGPZAQ-OAQYLSRUSA-N 2 0 328.500 3.312 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CCO)C(C)(C)C)CC1 ZINC000453193882 310263400 /nfs/dbraw/zinc/26/34/00/310263400.db2.gz NFLUDZBAGVTBOM-YLJYHZDGSA-N 2 0 332.532 3.469 20 0 EGADRP C[C@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000453381833 310273887 /nfs/dbraw/zinc/27/38/87/310273887.db2.gz RIFXWROOWRIJJV-HMXCVIKNSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H](c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453390977 310274254 /nfs/dbraw/zinc/27/42/54/310274254.db2.gz XSTSANUXZZTRHO-XLIONFOSSA-N 2 0 332.488 3.191 20 0 EGADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000453407396 310275280 /nfs/dbraw/zinc/27/52/80/310275280.db2.gz PSWATEGABIYURY-FDKIHUSFSA-N 2 0 328.500 3.444 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1sc(C)cc1Br ZINC000453569774 310282175 /nfs/dbraw/zinc/28/21/75/310282175.db2.gz JQBXLOULGYQRAQ-LBPRGKRZSA-N 2 0 349.338 3.265 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)ccc21 ZINC000455873413 310380588 /nfs/dbraw/zinc/38/05/88/310380588.db2.gz ZTFJMWUXBOMFPV-HKUYNNGSSA-N 2 0 344.503 3.184 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459323045 310543932 /nfs/dbraw/zinc/54/39/32/310543932.db2.gz JBJKLWIKOXMRPY-IRXDYDNUSA-N 2 0 343.506 3.302 20 0 EGADRP COc1ccc(F)cc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000462779531 310605603 /nfs/dbraw/zinc/60/56/03/310605603.db2.gz MUPYJZGVBWSCCK-UHFFFAOYSA-N 2 0 346.446 3.107 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000474719599 310798123 /nfs/dbraw/zinc/79/81/23/310798123.db2.gz MPCVCJJLIXYFHL-KOHRHEQBSA-N 2 0 326.525 3.454 20 0 EGADRP Fc1ccc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000488333507 311061300 /nfs/dbraw/zinc/06/13/00/311061300.db2.gz CSMDZIXWJGFMPR-UHFFFAOYSA-N 2 0 345.462 3.241 20 0 EGADRP Cc1ccccc1-c1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000491227866 311169290 /nfs/dbraw/zinc/16/92/90/311169290.db2.gz JQYFMGDSGKQSIV-OAQYLSRUSA-N 2 0 335.495 3.142 20 0 EGADRP C[NH+]1CCC(C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000495689603 311597083 /nfs/dbraw/zinc/59/70/83/311597083.db2.gz UHQGXXZBDRXTIE-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000497180428 311831977 /nfs/dbraw/zinc/83/19/77/311831977.db2.gz CNSZWXWSSXVNND-RYRKJORJSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000037423749 453935577 /nfs/dbraw/zinc/93/55/77/453935577.db2.gz RERXSLAHYJSLDJ-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1(C)C ZINC000507541179 312076794 /nfs/dbraw/zinc/07/67/94/312076794.db2.gz YIHLZSAJNQRMMU-MFKWGIFDSA-N 2 0 328.500 3.300 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000508209183 312090790 /nfs/dbraw/zinc/09/07/90/312090790.db2.gz AQFOJLAIJGQWQG-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700773 312100090 /nfs/dbraw/zinc/10/00/90/312100090.db2.gz UZWCGCSTTOIYMZ-TZIWHRDSSA-N 2 0 329.532 3.363 20 0 EGADRP Cc1ccc(F)c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512184307 312178015 /nfs/dbraw/zinc/17/80/15/312178015.db2.gz XHGXTQVCDJXEJL-CALCHBBNSA-N 2 0 334.479 3.455 20 0 EGADRP Cc1cc(F)ccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512177846 312178178 /nfs/dbraw/zinc/17/81/78/312178178.db2.gz GJUDAYRKGJUZES-IAGOWNOFSA-N 2 0 334.479 3.455 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512649842 312191233 /nfs/dbraw/zinc/19/12/33/312191233.db2.gz UYAAOZGSXINMKW-UQVNRYHBSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512654215 312191764 /nfs/dbraw/zinc/19/17/64/312191764.db2.gz KFCUVYXOWMGJSQ-WLRLJWMZSA-N 2 0 328.500 3.038 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000513514075 312212042 /nfs/dbraw/zinc/21/20/42/312212042.db2.gz VXSZILKGGHJJGJ-IZZBFERCSA-N 2 0 329.532 3.217 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000514107860 312224923 /nfs/dbraw/zinc/22/49/23/312224923.db2.gz RBQRPGGQPISZCH-KRWDZBQOSA-N 2 0 343.506 3.302 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCCC[NH+](C)C ZINC000514926381 312254431 /nfs/dbraw/zinc/25/44/31/312254431.db2.gz GTBFHIGGKPKGMM-UHFFFAOYSA-N 2 0 349.544 3.214 20 0 EGADRP COc1nc2ccccc2cc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000516689734 312337690 /nfs/dbraw/zinc/33/76/90/312337690.db2.gz KAWHSJGJMXAFAG-UHFFFAOYSA-N 2 0 345.512 3.160 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc12 ZINC000516878636 312348034 /nfs/dbraw/zinc/34/80/34/312348034.db2.gz QQHGTCLYWBNNMK-YOEHRIQHSA-N 2 0 341.503 3.019 20 0 EGADRP CCc1ccc(-c2ccc(C[NH2+]CCCN3CC[NH+](C)CC3)o2)cc1 ZINC000525290224 312715981 /nfs/dbraw/zinc/71/59/81/312715981.db2.gz GAXCQPMVCKABHZ-UHFFFAOYSA-N 2 0 341.499 3.236 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527851888 312958280 /nfs/dbraw/zinc/95/82/80/312958280.db2.gz QDYYZIVYXQBHQJ-SFHVURJKSA-N 2 0 339.886 3.084 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424798 313090294 /nfs/dbraw/zinc/09/02/94/313090294.db2.gz NDWAPWWWTGYKRW-DUXKGJEZSA-N 2 0 346.490 3.332 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@@H]3CCC[NH2+]CC3)CC2)c(OC)c1 ZINC000530210344 313497800 /nfs/dbraw/zinc/49/78/00/313497800.db2.gz JWYCOWMKMJZNHC-MRXNPFEDSA-N 2 0 348.487 3.034 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@@H](C)C[C@H](C)[NH3+])CC2)c(OC)c1 ZINC000530214783 313498310 /nfs/dbraw/zinc/49/83/10/313498310.db2.gz YCRAQFZNLQMOBU-KBPBESRZSA-N 2 0 336.476 3.018 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248797 313505433 /nfs/dbraw/zinc/50/54/33/313505433.db2.gz PGGXEWKBIHMCEP-KRWDZBQOSA-N 2 0 328.456 3.332 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC000070395552 454168633 /nfs/dbraw/zinc/16/86/33/454168633.db2.gz SFQSNGUQJXBXRB-CYBMUJFWSA-N 2 0 328.298 3.444 20 0 EGADRP CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1C ZINC000531710142 313703849 /nfs/dbraw/zinc/70/38/49/313703849.db2.gz LUWAJQGRZUOXMO-HNNXBMFYSA-N 2 0 344.503 3.311 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000534973134 314009350 /nfs/dbraw/zinc/00/93/50/314009350.db2.gz LHDMRZQJDXDQGV-BEFAXECRSA-N 2 0 335.923 3.191 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000535082877 314025165 /nfs/dbraw/zinc/02/51/65/314025165.db2.gz PEIKZPGBZAMDOD-UHFFFAOYSA-N 2 0 332.488 3.400 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000535817860 314077230 /nfs/dbraw/zinc/07/72/30/314077230.db2.gz NCEZVHNHLDFJJT-FQEVSTJZSA-N 2 0 345.531 3.486 20 0 EGADRP Cc1cccc(C)c1OCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000536452388 314114533 /nfs/dbraw/zinc/11/45/33/314114533.db2.gz CJTNBQOMOMBJMR-UHFFFAOYSA-N 2 0 347.547 3.030 20 0 EGADRP COc1cc2c(cc1C[NH+]1CCC(CC[NH+](C)C)CC1)O[C@@H](C)C2 ZINC000536646816 314134404 /nfs/dbraw/zinc/13/44/04/314134404.db2.gz NYRNAKANLKHVPG-HNNXBMFYSA-N 2 0 332.488 3.182 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000536848975 314150053 /nfs/dbraw/zinc/15/00/53/314150053.db2.gz XRYDCASYPVXFIS-GBESFXJTSA-N 2 0 334.891 3.295 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000537343901 314175372 /nfs/dbraw/zinc/17/53/72/314175372.db2.gz NYRJOUGSCHZNEE-JXFKEZNVSA-N 2 0 329.488 3.355 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cscn1 ZINC000537988234 314222692 /nfs/dbraw/zinc/22/26/92/314222692.db2.gz XXJZHCOIJVDNRS-KRWDZBQOSA-N 2 0 344.528 3.396 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC(=O)Nc3ccccn3)CC2)C1 ZINC000538613736 314258397 /nfs/dbraw/zinc/25/83/97/314258397.db2.gz FXQGIWCCYGXGHT-SJLPKXTDSA-N 2 0 344.503 3.043 20 0 EGADRP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(-c4cccnc4)n[nH]3)C2)[nH+]1 ZINC000539816479 314341642 /nfs/dbraw/zinc/34/16/42/314341642.db2.gz JBOLBDAGTPPZON-INIZCTEOSA-N 2 0 348.454 3.109 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C)[C@@H](C)C1 ZINC000540191523 314369439 /nfs/dbraw/zinc/36/94/39/314369439.db2.gz UCPQSJABPRBFNG-RBUKOAKNSA-N 2 0 334.504 3.100 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC000063121429 454394633 /nfs/dbraw/zinc/39/46/33/454394633.db2.gz ZMENOKUHCWOKFU-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCSCC1 ZINC000547978796 314956893 /nfs/dbraw/zinc/95/68/93/314956893.db2.gz IXNGRLYNWTUIAU-XLIONFOSSA-N 2 0 347.572 3.096 20 0 EGADRP CCc1ccc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000550009908 315113522 /nfs/dbraw/zinc/11/35/22/315113522.db2.gz HTLIQMVTASGBMW-WCRBZPEASA-N 2 0 330.516 3.365 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000550832325 315136158 /nfs/dbraw/zinc/13/61/58/315136158.db2.gz FRCUJSIUNGPRQJ-AOIWGVFYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000551006626 315139736 /nfs/dbraw/zinc/13/97/36/315139736.db2.gz HEYBUTBBRMJYKK-JXFKEZNVSA-N 2 0 349.950 3.277 20 0 EGADRP CSc1ccc([C@@H](CNC2CC[NH+](CC3CC3)CC2)[NH+](C)C)cc1 ZINC000551310429 315149664 /nfs/dbraw/zinc/14/96/64/315149664.db2.gz FXCIPCUNXFTTSS-HXUWFJFHSA-N 2 0 347.572 3.475 20 0 EGADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552551841 315224623 /nfs/dbraw/zinc/22/46/23/315224623.db2.gz ZFURATYNYICGPW-UYAOXDASSA-N 2 0 343.515 3.181 20 0 EGADRP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+]1CC(C)C1 ZINC000553327889 315258356 /nfs/dbraw/zinc/25/83/56/315258356.db2.gz VIVVYTGPDYYLQS-QZTJIDSGSA-N 2 0 343.515 3.017 20 0 EGADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000562984199 315934884 /nfs/dbraw/zinc/93/48/84/315934884.db2.gz AIMJQAZJPVBAFH-OAQYLSRUSA-N 2 0 348.531 3.186 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cc2s1 ZINC000563462281 316026031 /nfs/dbraw/zinc/02/60/31/316026031.db2.gz VVPNRAHXPMJVFL-AEFFLSMTSA-N 2 0 345.512 3.323 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000563506615 316030870 /nfs/dbraw/zinc/03/08/70/316030870.db2.gz SSSWOMGCZBZBJE-IBGZPJMESA-N 2 0 342.487 3.208 20 0 EGADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000564201072 316122978 /nfs/dbraw/zinc/12/29/78/316122978.db2.gz PIFOGZCZHVXTMT-NJYVYQBISA-N 2 0 329.532 3.407 20 0 EGADRP CSC1(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2)CC[NH+](C)CC1 ZINC000564616073 316175946 /nfs/dbraw/zinc/17/59/46/316175946.db2.gz NYSXFOSCWIPSBJ-MRXNPFEDSA-N 2 0 349.544 3.129 20 0 EGADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cs2)cs1 ZINC000564773971 316202138 /nfs/dbraw/zinc/20/21/38/316202138.db2.gz LMYYEXNUPIDDJU-GFCCVEGCSA-N 2 0 339.530 3.409 20 0 EGADRP Brc1ccccc1C[C@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000564822579 316212771 /nfs/dbraw/zinc/21/27/71/316212771.db2.gz HPHXFMLWXJOPKT-KRWDZBQOSA-N 2 0 337.305 3.359 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000564847281 316216782 /nfs/dbraw/zinc/21/67/82/316216782.db2.gz ZKBNMZPQYAHKKA-HXUWFJFHSA-N 2 0 346.902 3.485 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000564973850 316240401 /nfs/dbraw/zinc/24/04/01/316240401.db2.gz YGECAKDVUFXTFA-QWRGUYRKSA-N 2 0 326.366 3.311 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000565410153 316320670 /nfs/dbraw/zinc/32/06/70/316320670.db2.gz YEIJQQCCWXDDJE-RTBURBONSA-N 2 0 347.466 3.294 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000565568202 316339910 /nfs/dbraw/zinc/33/99/10/316339910.db2.gz WMHOXMVVWBQUIV-LJQANCHMSA-N 2 0 347.522 3.153 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000565658107 316352791 /nfs/dbraw/zinc/35/27/91/316352791.db2.gz IQDZHBWAABMWRP-PMACEKPBSA-N 2 0 342.462 3.426 20 0 EGADRP C[C@@H](CCc1ccco1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000565769303 316368143 /nfs/dbraw/zinc/36/81/43/316368143.db2.gz YTPRRYWCIGQKSJ-SFHVURJKSA-N 2 0 341.499 3.184 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000566118396 316420407 /nfs/dbraw/zinc/42/04/07/316420407.db2.gz AUPOGIBCKKYUNY-MHJFOBGBSA-N 2 0 342.483 3.042 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295747 317036582 /nfs/dbraw/zinc/03/65/82/317036582.db2.gz MAPNZNMZULWZCW-JKSUJKDBSA-N 2 0 344.503 3.146 20 0 EGADRP CCOc1c(Br)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000570450714 317057793 /nfs/dbraw/zinc/05/77/93/317057793.db2.gz RKRVIQTZVLQVRQ-WDEREUQCSA-N 2 0 345.281 3.072 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000570507528 317065667 /nfs/dbraw/zinc/06/56/67/317065667.db2.gz MSKIGJCYYILMHR-XOBRGWDASA-N 2 0 349.478 3.454 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000570832283 317114725 /nfs/dbraw/zinc/11/47/25/317114725.db2.gz DITKDWLQFJVPAU-MNNVXMFVSA-N 2 0 325.456 3.247 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000572026802 317281238 /nfs/dbraw/zinc/28/12/38/317281238.db2.gz CGHFFKDSQDBIGR-CTNGQTDRSA-N 2 0 338.451 3.349 20 0 EGADRP C[C@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000572782637 317391382 /nfs/dbraw/zinc/39/13/82/317391382.db2.gz YYYBSUZIIUCROE-LJQANCHMSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379643153 324239879 /nfs/dbraw/zinc/23/98/79/324239879.db2.gz FLYOXXUSSQTRBV-WLRLJWMZSA-N 2 0 329.532 3.407 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379676219 324241775 /nfs/dbraw/zinc/24/17/75/324241775.db2.gz YWEYUNKLCLJVGH-BHIYHBOVSA-N 2 0 345.531 3.180 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385799542 324263676 /nfs/dbraw/zinc/26/36/76/324263676.db2.gz DZCDFZUBHWQKLI-VQIMIIECSA-N 2 0 338.451 3.416 20 0 EGADRP Fc1cc(Br)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000388964956 324277853 /nfs/dbraw/zinc/27/78/53/324277853.db2.gz UEWXTQWSEZYNQJ-TXEJJXNPSA-N 2 0 327.241 3.020 20 0 EGADRP CCn1cncc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417947319 324302639 /nfs/dbraw/zinc/30/26/39/324302639.db2.gz GHDJLZLQMHLJAN-MJGOQNOKSA-N 2 0 326.488 3.293 20 0 EGADRP CSC1(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC[NH+](C)CC1 ZINC000353217510 456566524 /nfs/dbraw/zinc/56/65/24/456566524.db2.gz YXJOQWGKBQIGCK-ARJAWSKDSA-N 2 0 326.456 3.395 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000576250579 324577324 /nfs/dbraw/zinc/57/73/24/324577324.db2.gz DSYSQLWGLGEJNZ-HSALFYBXSA-N 2 0 341.499 3.436 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313815321 456600277 /nfs/dbraw/zinc/60/02/77/456600277.db2.gz WUVNFWDNZJGYOQ-IOASZLSFSA-N 2 0 325.294 3.310 20 0 EGADRP CCC(CC)(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000576821567 324688335 /nfs/dbraw/zinc/68/83/35/324688335.db2.gz SHCCGJVSJXSKGU-BBWFWOEESA-N 2 0 348.535 3.321 20 0 EGADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC000578264008 324944015 /nfs/dbraw/zinc/94/40/15/324944015.db2.gz DJQIRVGAKBHURE-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000579287595 325087905 /nfs/dbraw/zinc/08/79/05/325087905.db2.gz LYKYFSGNGLGVIU-IAGOWNOFSA-N 2 0 334.504 3.263 20 0 EGADRP C[C@H]1COCCN1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000579370653 325101146 /nfs/dbraw/zinc/10/11/46/325101146.db2.gz NYKRXNLYRJFWAF-INIZCTEOSA-N 2 0 336.907 3.458 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2ccc(Br)cc2F)C1 ZINC000579613798 325136385 /nfs/dbraw/zinc/13/63/85/325136385.db2.gz DIGUMLPZLRXBJB-KBPBESRZSA-N 2 0 329.257 3.380 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000580189110 325215024 /nfs/dbraw/zinc/21/50/24/325215024.db2.gz HMEZKBXROUUKPN-QFIPXVFZSA-N 2 0 349.478 3.152 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000581721079 325385848 /nfs/dbraw/zinc/38/58/48/325385848.db2.gz DLTRESPYZYHYNH-XVAXZDLZSA-N 2 0 348.506 3.362 20 0 EGADRP CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000183084834 455225494 /nfs/dbraw/zinc/22/54/94/455225494.db2.gz HXOPMBMJCCTCHD-FUHWJXTLSA-N 2 0 345.531 3.100 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000237906548 455231915 /nfs/dbraw/zinc/23/19/15/455231915.db2.gz SRISUTXOWDNICC-HXUWFJFHSA-N 2 0 343.515 3.191 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000180735530 455236383 /nfs/dbraw/zinc/23/63/83/455236383.db2.gz UHWXTBJAXGKVNC-UYAOXDASSA-N 2 0 327.472 3.117 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000180759744 455240782 /nfs/dbraw/zinc/24/07/82/455240782.db2.gz MZVBUIGTKFPGEK-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000189933896 455256199 /nfs/dbraw/zinc/25/61/99/455256199.db2.gz BLWDLNLKPSLMOA-QGZVFWFLSA-N 2 0 329.488 3.500 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000183256981 455262005 /nfs/dbraw/zinc/26/20/05/455262005.db2.gz BWZNPZLBIJRNCT-HXUWFJFHSA-N 2 0 338.499 3.373 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000158137492 455272793 /nfs/dbraw/zinc/27/27/93/455272793.db2.gz CVUZJNMMLIHEBS-CHWSQXEVSA-N 2 0 328.403 3.289 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448031 455304130 /nfs/dbraw/zinc/30/41/30/455304130.db2.gz MNSHGMFECYPJQX-MSOLQXFVSA-N 2 0 343.515 3.384 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623495911 460580942 /nfs/dbraw/zinc/58/09/42/460580942.db2.gz ZTGTWLQQTUILMM-UHFFFAOYSA-N 2 0 349.466 3.273 20 0 EGADRP CCn1nccc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693512 455358126 /nfs/dbraw/zinc/35/81/26/455358126.db2.gz BVTJWNUBEDAENI-HKUYNNGSSA-N 2 0 326.488 3.388 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000081332508 453861944 /nfs/dbraw/zinc/86/19/44/453861944.db2.gz AYORXTCPIFWBBJ-IBGZPJMESA-N 2 0 345.531 3.332 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000075574173 453907041 /nfs/dbraw/zinc/90/70/41/453907041.db2.gz HZKDAIXSZXAMJI-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP C[N@H+](CCC(=O)OC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109711 453965514 /nfs/dbraw/zinc/96/55/14/453965514.db2.gz XCDHUOPSJHDCGW-GOSISDBHSA-N 2 0 332.488 3.172 20 0 EGADRP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000076330921 453989156 /nfs/dbraw/zinc/98/91/56/453989156.db2.gz PNFKJLGLFHALLC-LJQANCHMSA-N 2 0 346.519 3.129 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1C ZINC000076329368 453989589 /nfs/dbraw/zinc/98/95/89/453989589.db2.gz XUZPULZYZBMQTL-GOSISDBHSA-N 2 0 346.519 3.183 20 0 EGADRP C[N@H+](CCC[NH2+]Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1 ZINC000042900722 454031426 /nfs/dbraw/zinc/03/14/26/454031426.db2.gz MKTWHDFGAMVLHK-UHFFFAOYSA-N 2 0 335.455 3.083 20 0 EGADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523328 454064464 /nfs/dbraw/zinc/06/44/64/454064464.db2.gz RKGKUDNPOKYDRP-OAHLLOKOSA-N 2 0 349.544 3.399 20 0 EGADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889491 454155663 /nfs/dbraw/zinc/15/56/63/454155663.db2.gz SUICUMBMVBIBQC-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000265981724 455419613 /nfs/dbraw/zinc/41/96/13/455419613.db2.gz BRJCWCHCILXMLG-CABCVRRESA-N 2 0 340.414 3.003 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669479 454175813 /nfs/dbraw/zinc/17/58/13/454175813.db2.gz PKAAOJGSUNCPFC-HLLBOEOZSA-N 2 0 344.528 3.456 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C(C)C ZINC000045806688 454184872 /nfs/dbraw/zinc/18/48/72/454184872.db2.gz HIGQNPICCQBXBJ-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000130282451 454186690 /nfs/dbraw/zinc/18/66/90/454186690.db2.gz XWKILRYBJAAMDQ-INIZCTEOSA-N 2 0 329.488 3.389 20 0 EGADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130482223 454200263 /nfs/dbraw/zinc/20/02/63/454200263.db2.gz GLFJRZAONJBAKK-RTBURBONSA-N 2 0 330.520 3.138 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000131123708 454237350 /nfs/dbraw/zinc/23/73/50/454237350.db2.gz TYNSSMGGPBUHJF-GFCCVEGCSA-N 2 0 347.272 3.207 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000120002579 454245759 /nfs/dbraw/zinc/24/57/59/454245759.db2.gz ZTGNKTGXLZNURJ-WWGRRREGSA-N 2 0 330.394 3.446 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)[C@H](C)C1 ZINC000090044336 454265327 /nfs/dbraw/zinc/26/53/27/454265327.db2.gz QEGBJAZHRKMEHS-CABCVRRESA-N 2 0 330.501 3.068 20 0 EGADRP CSC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000090113560 454281943 /nfs/dbraw/zinc/28/19/43/454281943.db2.gz PHPKQOHTCLEVCJ-UHFFFAOYSA-N 2 0 348.556 3.195 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000072585167 454314155 /nfs/dbraw/zinc/31/41/55/454314155.db2.gz FRLDQTFCXNRNNV-UHFFFAOYSA-N 2 0 339.430 3.098 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCSCc3ccccc3)CC2)C1 ZINC000090554352 454321251 /nfs/dbraw/zinc/32/12/51/454321251.db2.gz KTLQTKKXRMJTOT-FQEVSTJZSA-N 2 0 347.572 3.022 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1Cl)N1CC[NH+](C)CC1 ZINC000132378673 454333970 /nfs/dbraw/zinc/33/39/70/454333970.db2.gz AGUNOKXJPDYVFY-KDOFPFPSSA-N 2 0 341.902 3.402 20 0 EGADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090810460 454342572 /nfs/dbraw/zinc/34/25/72/454342572.db2.gz OQMKSKBAWBBOBZ-QFBILLFUSA-N 2 0 336.520 3.321 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000132517232 454344859 /nfs/dbraw/zinc/34/48/59/454344859.db2.gz IEUBVUSUNPYPSN-QMMLZNLJSA-N 2 0 329.532 3.487 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000132557492 454348592 /nfs/dbraw/zinc/34/85/92/454348592.db2.gz OVWTVSZEXGZHNR-YADHBBJMSA-N 2 0 343.559 3.178 20 0 EGADRP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000090891515 454350248 /nfs/dbraw/zinc/35/02/48/454350248.db2.gz ZFSMKOVRVWXNFP-HXUWFJFHSA-N 2 0 334.479 3.420 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C(C)C)cc1 ZINC000121058681 454385189 /nfs/dbraw/zinc/38/51/89/454385189.db2.gz NMMMIIIOKGAFNW-TZIWHRDSSA-N 2 0 331.548 3.035 20 0 EGADRP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000079303722 454394509 /nfs/dbraw/zinc/39/45/09/454394509.db2.gz FIKNLFDROBTZPV-MSOLQXFVSA-N 2 0 345.531 3.169 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000121306518 454419318 /nfs/dbraw/zinc/41/93/18/454419318.db2.gz IJEIGAPKQXMBTA-MOPGFXCFSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285486 454423104 /nfs/dbraw/zinc/42/31/04/454423104.db2.gz RTSBEMNKTXYEQU-XLIONFOSSA-N 2 0 333.520 3.008 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000091306342 454424186 /nfs/dbraw/zinc/42/41/86/454424186.db2.gz FUXSTGNRPOKYRX-DLBZAZTESA-N 2 0 344.421 3.449 20 0 EGADRP CCCCOCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133429741 454424683 /nfs/dbraw/zinc/42/46/83/454424683.db2.gz YMOUQXYWFLTPFS-UHFFFAOYSA-N 2 0 333.520 3.123 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000047978734 454428407 /nfs/dbraw/zinc/42/84/07/454428407.db2.gz NWQXZUUZODJKDX-UHFFFAOYSA-N 2 0 335.467 3.208 20 0 EGADRP CC1(C)CC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000098092993 454453753 /nfs/dbraw/zinc/45/37/53/454453753.db2.gz STNIEWTZJOZSJW-GOSISDBHSA-N 2 0 343.515 3.076 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073700815 454469198 /nfs/dbraw/zinc/46/91/98/454469198.db2.gz WXDRUWVTVVCXLD-RTBURBONSA-N 2 0 336.439 3.182 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000101727873 454481642 /nfs/dbraw/zinc/48/16/42/454481642.db2.gz UZYBUNCUZCTIQC-IBGZPJMESA-N 2 0 343.515 3.459 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](OCC(C)C)C2)CC1 ZINC000091964511 454497600 /nfs/dbraw/zinc/49/76/00/454497600.db2.gz ZRTMHRXJFKGLSU-FQEVSTJZSA-N 2 0 345.531 3.075 20 0 EGADRP CC[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000134563881 454560691 /nfs/dbraw/zinc/56/06/91/454560691.db2.gz NDJKXXIUBMSGEX-LAUBAEHRSA-N 2 0 343.515 3.209 20 0 EGADRP CC[C@]1(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CCC[NH2+]1 ZINC000134563717 454560882 /nfs/dbraw/zinc/56/08/82/454560882.db2.gz GIUOULCAYGOURB-OAQYLSRUSA-N 2 0 343.515 3.067 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000122785014 454569565 /nfs/dbraw/zinc/56/95/65/454569565.db2.gz MJYIZJXZKBZPET-SBHAEUEKSA-N 2 0 348.531 3.489 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000092487285 454573887 /nfs/dbraw/zinc/57/38/87/454573887.db2.gz PICGCFLWGCWEEL-PXNSSMCTSA-N 2 0 345.531 3.216 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122877871 454577224 /nfs/dbraw/zinc/57/72/24/454577224.db2.gz POTIHIUJZONHNA-VYDXJSESSA-N 2 0 332.488 3.054 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000052210086 454661853 /nfs/dbraw/zinc/66/18/53/454661853.db2.gz CXAWQUXRHGHXQC-LJQANCHMSA-N 2 0 340.458 3.442 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000635003694 460646886 /nfs/dbraw/zinc/64/68/86/460646886.db2.gz AXZFEMSUUSAIDC-JCNLHEQBSA-N 2 0 335.923 3.412 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000106434916 454695026 /nfs/dbraw/zinc/69/50/26/454695026.db2.gz RNLAGHOZPAKXJQ-SFHVURJKSA-N 2 0 349.544 3.069 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccn3C)CC2)c1 ZINC000161592732 454705362 /nfs/dbraw/zinc/70/53/62/454705362.db2.gz XYWYLMSHSROEHH-UHFFFAOYSA-N 2 0 340.515 3.026 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Cl)c1F ZINC000161674684 454713198 /nfs/dbraw/zinc/71/31/98/454713198.db2.gz RYJFZRXYYKJGAM-MRXNPFEDSA-N 2 0 328.859 3.224 20 0 EGADRP CN(c1ccccc1C[NH+]1C[C@H]2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000093443303 454714842 /nfs/dbraw/zinc/71/48/42/454714842.db2.gz AJGYQDGGHACSRG-QZTJIDSGSA-N 2 0 327.516 3.449 20 0 EGADRP c1nc(C2CCC2)sc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735179 454731875 /nfs/dbraw/zinc/73/18/75/454731875.db2.gz JCISCLJLIXYWOD-UHFFFAOYSA-N 2 0 349.544 3.487 20 0 EGADRP COc1ccc([C@@H]2CCC[N@@H+]2CCCn2ccnc2C)cc1OC ZINC000136352694 454736729 /nfs/dbraw/zinc/73/67/29/454736729.db2.gz GUEHPKNELIHNNY-KRWDZBQOSA-N 2 0 329.444 3.436 20 0 EGADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1nccc2ccccc21 ZINC000635008482 460651316 /nfs/dbraw/zinc/65/13/16/460651316.db2.gz DZADVDASNBBHFW-OAHLLOKOSA-N 2 0 333.439 3.213 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@@H+]1C ZINC000153027184 454754245 /nfs/dbraw/zinc/75/42/45/454754245.db2.gz WGIBINUPBJKMOQ-JKSUJKDBSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009440 460652585 /nfs/dbraw/zinc/65/25/85/460652585.db2.gz GZIGEFSVTXNXPZ-RLLQIKCJSA-N 2 0 329.532 3.265 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000153203256 454770147 /nfs/dbraw/zinc/77/01/47/454770147.db2.gz DFPCKMWSJQASCF-KSZLIROESA-N 2 0 345.531 3.404 20 0 EGADRP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000137727703 454784639 /nfs/dbraw/zinc/78/46/39/454784639.db2.gz GGTAFPDEKXXBKN-QGZVFWFLSA-N 2 0 347.503 3.078 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011891 460655195 /nfs/dbraw/zinc/65/51/95/460655195.db2.gz QANLOPCJUWUADY-CJNGLKHVSA-N 2 0 333.476 3.082 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)cc1)C1CC1 ZINC000153716837 454824784 /nfs/dbraw/zinc/82/47/84/454824784.db2.gz RBSXGOWTXJCVPH-HXUWFJFHSA-N 2 0 343.515 3.083 20 0 EGADRP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163181727 454828170 /nfs/dbraw/zinc/82/81/70/454828170.db2.gz LPXOZRYYTLLPOS-UWJYYQICSA-N 2 0 342.483 3.320 20 0 EGADRP COc1ccc(Oc2cc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)ccn2)cc1 ZINC000163438115 454847490 /nfs/dbraw/zinc/84/74/90/454847490.db2.gz NWZVRDKGWBTVMW-WBVHZDCISA-N 2 0 341.455 3.455 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1F ZINC000163490092 454851094 /nfs/dbraw/zinc/85/10/94/454851094.db2.gz XGGAYMPJZKUGBP-OAHLLOKOSA-N 2 0 349.494 3.103 20 0 EGADRP CCC[C@@H](C)[C@H](CC)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163525213 454852720 /nfs/dbraw/zinc/85/27/20/454852720.db2.gz GHPXBMWLZNOJCM-AEFFLSMTSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](O)CN(C)C)cc1C ZINC000154376425 454890919 /nfs/dbraw/zinc/89/09/19/454890919.db2.gz GCJGKJDKWWXQGK-SFTDATJTSA-N 2 0 326.484 3.099 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000154425143 454895874 /nfs/dbraw/zinc/89/58/74/454895874.db2.gz REMNIXKYVYZWFU-GOSISDBHSA-N 2 0 329.532 3.244 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150820048 454897339 /nfs/dbraw/zinc/89/73/39/454897339.db2.gz QUHNOZKUCYQNJZ-QZTJIDSGSA-N 2 0 329.488 3.048 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)C[NH+]1CCCC1 ZINC000165281207 454897769 /nfs/dbraw/zinc/89/77/69/454897769.db2.gz RYSRWHRFWDIUNP-GJZGRUSLSA-N 2 0 329.488 3.299 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165360821 454898942 /nfs/dbraw/zinc/89/89/42/454898942.db2.gz IOIZYPXEJMNHHY-UZLBHIALSA-N 2 0 333.495 3.110 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccccc1OC ZINC000154532767 454905067 /nfs/dbraw/zinc/90/50/67/454905067.db2.gz LVCJKDZJCJCTJZ-IBGZPJMESA-N 2 0 333.520 3.154 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000165883444 454905616 /nfs/dbraw/zinc/90/56/16/454905616.db2.gz FRVOXWCNWHAOGG-FQEVSTJZSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(F)c1 ZINC000126732050 454914660 /nfs/dbraw/zinc/91/46/60/454914660.db2.gz OYCZGCUNXRMUHZ-KRWDZBQOSA-N 2 0 341.474 3.424 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000154928739 454944178 /nfs/dbraw/zinc/94/41/78/454944178.db2.gz CLBFRGSBHMUHHS-PBHICJAKSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000155059465 454959254 /nfs/dbraw/zinc/95/92/54/454959254.db2.gz UWBFLFJBNNMUOQ-NEPJUHHUSA-N 2 0 348.293 3.419 20 0 EGADRP [NH3+]Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)o1 ZINC000178741990 454971953 /nfs/dbraw/zinc/97/19/53/454971953.db2.gz VRXBJYNIRAUCLI-UHFFFAOYSA-N 2 0 327.428 3.367 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000127581320 454979195 /nfs/dbraw/zinc/97/91/95/454979195.db2.gz RFBHQEDRUXEARR-QWHCGFSZSA-N 2 0 330.303 3.280 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000155368362 454992581 /nfs/dbraw/zinc/99/25/81/454992581.db2.gz GQYRDFQHJSXZRJ-WBMJQRKESA-N 2 0 343.284 3.451 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000127854970 455004141 /nfs/dbraw/zinc/00/41/41/455004141.db2.gz ZGOXZGRNWQFGOL-ZWKOTPCHSA-N 2 0 338.499 3.035 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000151725363 455022555 /nfs/dbraw/zinc/02/25/55/455022555.db2.gz BTIOXDBXXIVDKI-JYAXBFRTSA-N 2 0 331.548 3.258 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000155629686 455024842 /nfs/dbraw/zinc/02/48/42/455024842.db2.gz NSGAPCQKYLYUEW-HZPDHXFCSA-N 2 0 335.561 3.304 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151843997 455038138 /nfs/dbraw/zinc/03/81/38/455038138.db2.gz RCPYJKLOARYYRK-QGZVFWFLSA-N 2 0 334.504 3.076 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000151908153 455047705 /nfs/dbraw/zinc/04/77/05/455047705.db2.gz OIAQKIMZGXRKIK-KRWDZBQOSA-N 2 0 344.528 3.002 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000155917145 455062427 /nfs/dbraw/zinc/06/24/27/455062427.db2.gz XRNXAFUGSWVCKH-CALCHBBNSA-N 2 0 345.531 3.235 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000152404957 455114274 /nfs/dbraw/zinc/11/42/74/455114274.db2.gz GRKVRFOZCKCVII-OLZOCXBDSA-N 2 0 340.414 3.432 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180108455 455133073 /nfs/dbraw/zinc/13/30/73/455133073.db2.gz VVDHFPNQUUJWHC-UHFFFAOYSA-N 2 0 337.511 3.393 20 0 EGADRP C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000156929567 455157473 /nfs/dbraw/zinc/15/74/73/455157473.db2.gz ALVZZKYOLXPTLD-DNVCBOLYSA-N 2 0 348.512 3.247 20 0 EGADRP CC(C)CN(CC(C)C)C(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157254469 455177493 /nfs/dbraw/zinc/17/74/93/455177493.db2.gz PJKYGJIIEGBSMC-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237414350 455183076 /nfs/dbraw/zinc/18/30/76/455183076.db2.gz VFNWOVFHILRXCA-CTNGQTDRSA-N 2 0 329.532 3.363 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157324882 455184555 /nfs/dbraw/zinc/18/45/55/455184555.db2.gz JNJBNJGWYMMBKT-SFHVURJKSA-N 2 0 325.456 3.391 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237465703 455187194 /nfs/dbraw/zinc/18/71/94/455187194.db2.gz SXSSPFGMHXQAPL-QUCCMNQESA-N 2 0 345.531 3.407 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCCCCC[NH3+] ZINC000237514826 455191091 /nfs/dbraw/zinc/19/10/91/455191091.db2.gz UXWBIDRIYCKXDV-QZTJIDSGSA-N 2 0 345.531 3.168 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000172828196 455193533 /nfs/dbraw/zinc/19/35/33/455193533.db2.gz BDNZZALCNFIFKK-UHFFFAOYSA-N 2 0 332.488 3.452 20 0 EGADRP COC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000158197711 455279494 /nfs/dbraw/zinc/27/94/94/455279494.db2.gz CSRKSAWRWWVSFS-CJNGLKHVSA-N 2 0 330.394 3.324 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000264770705 455280062 /nfs/dbraw/zinc/28/00/62/455280062.db2.gz RAEBKHLLNNVEPN-SFHVURJKSA-N 2 0 346.446 3.412 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245606421 455339569 /nfs/dbraw/zinc/33/95/69/455339569.db2.gz NHRYMRIKZVLFFW-GJYPPUQNSA-N 2 0 340.471 3.356 20 0 EGADRP Cc1ccccc1C[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000191559993 455497311 /nfs/dbraw/zinc/49/73/11/455497311.db2.gz YNHAZZIGVIIVKB-HXUWFJFHSA-N 2 0 330.516 3.285 20 0 EGADRP CCOC(=O)[C@@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000191633461 455505460 /nfs/dbraw/zinc/50/54/60/455505460.db2.gz NQSOTIGKKXPKHX-NRFANRHFSA-N 2 0 346.515 3.360 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182409690 455507707 /nfs/dbraw/zinc/50/77/07/455507707.db2.gz AKYDEHYJFBWMDJ-FQEVSTJZSA-N 2 0 333.495 3.210 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)OC(C)(C)C ZINC000267298723 455534287 /nfs/dbraw/zinc/53/42/87/455534287.db2.gz UCEMQCFKWCDPRO-FUHWJXTLSA-N 2 0 347.503 3.011 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000247119079 455561627 /nfs/dbraw/zinc/56/16/27/455561627.db2.gz AJLTVIARIJYCPH-ZMSDIMECSA-N 2 0 334.504 3.300 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000182786270 455587072 /nfs/dbraw/zinc/58/70/72/455587072.db2.gz HUQAQASOPSZNEU-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)[C@@H](C)C1 ZINC000247332140 455588910 /nfs/dbraw/zinc/58/89/10/455588910.db2.gz MQPNNBMIWNRHRA-ZWOKBUDYSA-N 2 0 334.504 3.483 20 0 EGADRP Cc1cc(C)n(CC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000271372832 455614708 /nfs/dbraw/zinc/61/47/08/455614708.db2.gz RNPXPPPFDSJWQA-UHFFFAOYSA-N 2 0 341.503 3.133 20 0 EGADRP COC(=O)C1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000192440275 455616232 /nfs/dbraw/zinc/61/62/32/455616232.db2.gz LXAWEMDSDRZCPU-UHFFFAOYSA-N 2 0 344.499 3.220 20 0 EGADRP COc1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185761076 455617305 /nfs/dbraw/zinc/61/73/05/455617305.db2.gz ZLKZPYWAIWBSHR-IAGOWNOFSA-N 2 0 332.488 3.317 20 0 EGADRP CCOc1ccccc1NC(=O)[C@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247543390 455622513 /nfs/dbraw/zinc/62/25/13/455622513.db2.gz PIKWJPMUZNMXOD-DLBZAZTESA-N 2 0 347.503 3.219 20 0 EGADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000192590556 455646451 /nfs/dbraw/zinc/64/64/51/455646451.db2.gz BKYBTCWXELHTKX-UZLBHIALSA-N 2 0 328.456 3.426 20 0 EGADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000192590600 455646493 /nfs/dbraw/zinc/64/64/93/455646493.db2.gz BKYBTCWXELHTKX-OXJNMPFZSA-N 2 0 328.456 3.426 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000284312976 455666401 /nfs/dbraw/zinc/66/64/01/455666401.db2.gz VVXMFIJANVVHMT-OAQYLSRUSA-N 2 0 343.559 3.238 20 0 EGADRP COCc1ccccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000248023573 455671650 /nfs/dbraw/zinc/67/16/50/455671650.db2.gz OHEMTYYIHBWFND-LAUBAEHRSA-N 2 0 339.483 3.228 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C2CC2)c1 ZINC000271523957 455671792 /nfs/dbraw/zinc/67/17/92/455671792.db2.gz PUACWTUQOZRXMY-BHDDXSALSA-N 2 0 342.527 3.284 20 0 EGADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000248030244 455672364 /nfs/dbraw/zinc/67/23/64/455672364.db2.gz QETFMXRNAIOQTH-KDOFPFPSSA-N 2 0 330.476 3.105 20 0 EGADRP Cc1nc(C)c([C@H](C)[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000192736766 455681614 /nfs/dbraw/zinc/68/16/14/455681614.db2.gz BSZTUHCTBSPJGO-INIZCTEOSA-N 2 0 338.565 3.169 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000192791373 455693261 /nfs/dbraw/zinc/69/32/61/455693261.db2.gz YGVUFSDCHRCSMK-OAQYLSRUSA-N 2 0 329.532 3.013 20 0 EGADRP CSC[C@@H]1CCC[N@H+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000292562342 455697635 /nfs/dbraw/zinc/69/76/35/455697635.db2.gz ZKPQUKXKQIFVHB-SJORKVTESA-N 2 0 347.528 3.089 20 0 EGADRP COc1ccsc1[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186134551 455700694 /nfs/dbraw/zinc/70/06/94/455700694.db2.gz CEXSBOARWPPKQO-ZNMIVQPWSA-N 2 0 326.506 3.297 20 0 EGADRP CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248397622 455712770 /nfs/dbraw/zinc/71/27/70/455712770.db2.gz IFAXQHDGVUWBHR-CWJKEVGVSA-N 2 0 330.516 3.285 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000248438590 455715925 /nfs/dbraw/zinc/71/59/25/455715925.db2.gz HWMVMJJKUKOYOI-HKUYNNGSSA-N 2 0 332.488 3.220 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2nc(-c3ccncc3)cs2)CC1 ZINC000271674050 455720022 /nfs/dbraw/zinc/72/00/22/455720022.db2.gz HASXZFOTPKBKSF-UHFFFAOYSA-N 2 0 330.501 3.212 20 0 EGADRP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268930460 455734713 /nfs/dbraw/zinc/73/47/13/455734713.db2.gz XEZXVHBCTKPNLQ-HNNXBMFYSA-N 2 0 336.476 3.009 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cnc2ccsc2c1 ZINC000268959947 455745034 /nfs/dbraw/zinc/74/50/34/455745034.db2.gz XCGGGLDTUBOVGH-ZBFHGGJFSA-N 2 0 333.501 3.184 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000268967150 455748019 /nfs/dbraw/zinc/74/80/19/455748019.db2.gz HIWSIAFQKWMRQX-GOSISDBHSA-N 2 0 338.495 3.253 20 0 EGADRP CCn1cc(CC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000284935886 455764625 /nfs/dbraw/zinc/76/46/25/455764625.db2.gz INBCNZIFGNRQFI-UHFFFAOYSA-N 2 0 341.503 3.079 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000271802267 455766496 /nfs/dbraw/zinc/76/64/96/455766496.db2.gz XUGSYHMBXUWVDD-QUCCMNQESA-N 2 0 346.515 3.215 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000269032365 455769279 /nfs/dbraw/zinc/76/92/79/455769279.db2.gz UOWKBMTWXURBHY-WOJBJXKFSA-N 2 0 330.516 3.223 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269038492 455770722 /nfs/dbraw/zinc/77/07/22/455770722.db2.gz SYACGIWENRRGHJ-CQSZACIVSA-N 2 0 333.451 3.149 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271822356 455775178 /nfs/dbraw/zinc/77/51/78/455775178.db2.gz CPLGWIBTDMNQQU-OAHLLOKOSA-N 2 0 330.476 3.129 20 0 EGADRP C[C@@H](CC[S@](C)=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285007309 455776067 /nfs/dbraw/zinc/77/60/67/455776067.db2.gz GZSHFYCKDLGRDV-SGHJIKFBSA-N 2 0 336.545 3.176 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000194215239 455816804 /nfs/dbraw/zinc/81/68/04/455816804.db2.gz GNZPWSHXLOOLFH-GOSISDBHSA-N 2 0 338.499 3.117 20 0 EGADRP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000269331022 455836555 /nfs/dbraw/zinc/83/65/55/455836555.db2.gz MKKDTDATQSIOJL-UHFFFAOYSA-N 2 0 338.499 3.230 20 0 EGADRP CC(C)(C)OC(=O)c1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000272178786 455868546 /nfs/dbraw/zinc/86/85/46/455868546.db2.gz SERLPSBRFCLHAT-INIZCTEOSA-N 2 0 330.472 3.216 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1OC ZINC000285604271 455880157 /nfs/dbraw/zinc/88/01/57/455880157.db2.gz JWQQSJCEMBCMMU-HOCLYGCPSA-N 2 0 332.488 3.017 20 0 EGADRP CCCc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000187307077 455892695 /nfs/dbraw/zinc/89/26/95/455892695.db2.gz KOYDULNLWOPLHF-NHCUHLMSSA-N 2 0 330.516 3.497 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N2CCCOC2=O)cc1 ZINC000296267044 455896437 /nfs/dbraw/zinc/89/64/37/455896437.db2.gz DMKFJWKMHSZALM-NMACRGETSA-N 2 0 343.471 3.309 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000261605136 455911553 /nfs/dbraw/zinc/91/15/53/455911553.db2.gz AEFAIUQPSDQPQH-JSGCOSHPSA-N 2 0 328.403 3.103 20 0 EGADRP C[C@]1(C[NH3+])CCN(Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000261694393 455930028 /nfs/dbraw/zinc/93/00/28/455930028.db2.gz HSDBDYFAYNJINC-OAQYLSRUSA-N 2 0 338.499 3.396 20 0 EGADRP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272378427 455931231 /nfs/dbraw/zinc/93/12/31/455931231.db2.gz BMOLYBYCHXWUQB-MAUKXSAKSA-N 2 0 329.513 3.494 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)c1 ZINC000261721013 455935028 /nfs/dbraw/zinc/93/50/28/455935028.db2.gz JOZYDIRPBMOQJW-FXAWDEMLSA-N 2 0 338.455 3.190 20 0 EGADRP C[C@@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261723133 455935988 /nfs/dbraw/zinc/93/59/88/455935988.db2.gz LIAQUZXSYZDPGG-HQRMLTQVSA-N 2 0 347.466 3.003 20 0 EGADRP C[C@H](C[NH3+])N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000261784065 455947442 /nfs/dbraw/zinc/94/74/42/455947442.db2.gz FRWQCGIEABUDIJ-MRVPVSSYSA-N 2 0 341.171 3.127 20 0 EGADRP C[C@@H](C[NH3+])N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000261784068 455947550 /nfs/dbraw/zinc/94/75/50/455947550.db2.gz FRWQCGIEABUDIJ-QMMMGPOBSA-N 2 0 341.171 3.127 20 0 EGADRP CCOc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000261882615 455964496 /nfs/dbraw/zinc/96/44/96/455964496.db2.gz MSKOBOQDZAVITA-AWEZNQCLSA-N 2 0 328.403 3.261 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000261882473 455964872 /nfs/dbraw/zinc/96/48/72/455964872.db2.gz ZHZANTKKOFGJBD-VQTJNVASSA-N 2 0 343.515 3.196 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1)C(C)C ZINC000261911493 455970613 /nfs/dbraw/zinc/97/06/13/455970613.db2.gz XQBDYEOZXGUPQW-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000262032251 455987726 /nfs/dbraw/zinc/98/77/26/455987726.db2.gz XIFLKIMFYJAHNX-RYUDHWBXSA-N 2 0 338.377 3.265 20 0 EGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000262032253 455987744 /nfs/dbraw/zinc/98/77/44/455987744.db2.gz XIFLKIMFYJAHNX-VXGBXAGGSA-N 2 0 338.377 3.265 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552999 455992301 /nfs/dbraw/zinc/99/23/01/455992301.db2.gz SUTYRUGQTMHDEG-LVCYWYKZSA-N 2 0 340.515 3.328 20 0 EGADRP C[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555430 455992903 /nfs/dbraw/zinc/99/29/03/455992903.db2.gz FXRMBFOWRJCLSP-SVFBPWRDSA-N 2 0 329.532 3.219 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000188110361 455998833 /nfs/dbraw/zinc/99/88/33/455998833.db2.gz LSUNMEBIRRUANY-HKUYNNGSSA-N 2 0 346.515 3.276 20 0 EGADRP Cc1nccn1CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272601946 456010240 /nfs/dbraw/zinc/01/02/40/456010240.db2.gz YNSULFFINOZLFR-PXNSSMCTSA-N 2 0 326.488 3.082 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262315225 456024358 /nfs/dbraw/zinc/02/43/58/456024358.db2.gz ZNIZDJUJJQWZRT-FQEVSTJZSA-N 2 0 339.483 3.153 20 0 EGADRP COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000296744596 456026470 /nfs/dbraw/zinc/02/64/70/456026470.db2.gz JZLILWIQOSLUAP-PBHICJAKSA-N 2 0 336.863 3.043 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c(C)c1OC ZINC000286334375 456026964 /nfs/dbraw/zinc/02/69/64/456026964.db2.gz YAVIIMPUFRTNRD-GLJUWKHASA-N 2 0 332.488 3.016 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286334384 456027117 /nfs/dbraw/zinc/02/71/17/456027117.db2.gz YAVIIMPUFRTNRD-SUNYJGFJSA-N 2 0 332.488 3.016 20 0 EGADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000216436459 456029509 /nfs/dbraw/zinc/02/95/09/456029509.db2.gz JJQPTJQBANJINI-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCCC1)c1ccccc1 ZINC000262383702 456030527 /nfs/dbraw/zinc/03/05/27/456030527.db2.gz OHPNZQDADYFMNH-LNLFQRSKSA-N 2 0 343.515 3.154 20 0 EGADRP C[C@@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262644769 456049543 /nfs/dbraw/zinc/04/95/43/456049543.db2.gz NAHHHMKBPWHWLV-LNLFQRSKSA-N 2 0 345.531 3.258 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCSc3ccccc3)CC2)CC1 ZINC000270886682 456059760 /nfs/dbraw/zinc/05/97/60/456059760.db2.gz KTUJQAALIKGRIF-UHFFFAOYSA-N 2 0 347.572 3.269 20 0 EGADRP C[C@H]([NH2+]CCOc1ncccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272810957 456076830 /nfs/dbraw/zinc/07/68/30/456076830.db2.gz NKKNEMPTJJWKDS-FUHWJXTLSA-N 2 0 343.446 3.100 20 0 EGADRP CC(=O)c1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000297012401 456092099 /nfs/dbraw/zinc/09/20/99/456092099.db2.gz GKVCIAJAHOGGEE-IAGOWNOFSA-N 2 0 344.499 3.210 20 0 EGADRP Cn1c2ccccc2nc1CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000271014360 456097949 /nfs/dbraw/zinc/09/79/49/456097949.db2.gz IGFXLZNPUOXUBT-UHFFFAOYSA-N 2 0 328.504 3.170 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000280996605 456104549 /nfs/dbraw/zinc/10/45/49/456104549.db2.gz NHYYLHOAFJZUCY-JKIFEVAISA-N 2 0 344.421 3.489 20 0 EGADRP C[C@H]1C[C@H](NCc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000230309944 456135976 /nfs/dbraw/zinc/13/59/76/456135976.db2.gz MRWRXZPOENFLCY-VHSXEESVSA-N 2 0 333.220 3.300 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236764890 456179821 /nfs/dbraw/zinc/17/98/21/456179821.db2.gz HRXQCQYYGBGPOO-CVEARBPZSA-N 2 0 337.533 3.155 20 0 EGADRP CCCOc1cccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000236876309 456195762 /nfs/dbraw/zinc/19/57/62/456195762.db2.gz OSNFVUSLCISSBA-HDICACEKSA-N 2 0 334.504 3.454 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000236877562 456196508 /nfs/dbraw/zinc/19/65/08/456196508.db2.gz HHQDFAIFVIBWMO-FXAWDEMLSA-N 2 0 345.531 3.212 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000273182619 456205194 /nfs/dbraw/zinc/20/51/94/456205194.db2.gz GUJCBVLOETZXIX-OAHLLOKOSA-N 2 0 344.503 3.308 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000236939319 456205995 /nfs/dbraw/zinc/20/59/95/456205995.db2.gz PMHQOBBFNVEBLC-FQEVSTJZSA-N 2 0 337.467 3.181 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1C ZINC000273187369 456206703 /nfs/dbraw/zinc/20/67/03/456206703.db2.gz PDRDWFGULWNZDP-MSOLQXFVSA-N 2 0 334.504 3.200 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](C(C)C)CC2)cc1 ZINC000263908996 456261757 /nfs/dbraw/zinc/26/17/57/456261757.db2.gz JCOOBDIRJOBLOS-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000290215237 456268929 /nfs/dbraw/zinc/26/89/29/456268929.db2.gz HOQLTEAIECIQAP-BEFAXECRSA-N 2 0 325.456 3.360 20 0 EGADRP c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2c(c1)OCCCO2 ZINC000297652954 456271215 /nfs/dbraw/zinc/27/12/15/456271215.db2.gz NKWDXFJPFCROPL-UHFFFAOYSA-N 2 0 339.439 3.002 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000302062428 456278154 /nfs/dbraw/zinc/27/81/54/456278154.db2.gz VXELNRGQOYBILH-MTSZKFMLSA-N 2 0 339.524 3.093 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000290304321 456285928 /nfs/dbraw/zinc/28/59/28/456285928.db2.gz BOPFQRXOTZVCDF-IBGZPJMESA-N 2 0 330.520 3.090 20 0 EGADRP CN(C)Cc1cnc(CN2CCC(Nc3ccc(F)cc3)CC2)s1 ZINC000347661573 456287927 /nfs/dbraw/zinc/28/79/27/456287927.db2.gz LQPLTHZNQSVIQB-UHFFFAOYSA-N 2 0 348.491 3.420 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)s2)cn1 ZINC000290321911 456291506 /nfs/dbraw/zinc/29/15/06/456291506.db2.gz CZVIINAAGIENTC-INIZCTEOSA-N 2 0 344.528 3.312 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(C2CC2)c1)N1CC[NH+](C)CC1 ZINC000340175046 456292895 /nfs/dbraw/zinc/29/28/95/456292895.db2.gz WEKZUDOJPFEWMF-LAUBAEHRSA-N 2 0 329.532 3.487 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000340208940 456316257 /nfs/dbraw/zinc/31/62/57/456316257.db2.gz ZTIWNPKPBXOHIX-PZJWPPBQSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000290418385 456322521 /nfs/dbraw/zinc/32/25/21/456322521.db2.gz UPQMKMDQLLNDSI-FUHWJXTLSA-N 2 0 340.467 3.454 20 0 EGADRP CCc1ccc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC000352816944 456333427 /nfs/dbraw/zinc/33/34/27/456333427.db2.gz MXLMIXBTPITWOQ-UHFFFAOYSA-N 2 0 327.472 3.264 20 0 EGADRP c1cc2cccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)c2[nH]1 ZINC000352859778 456369915 /nfs/dbraw/zinc/36/99/15/456369915.db2.gz UZOJVJVAMUUNIB-UHFFFAOYSA-N 2 0 327.472 3.102 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000337561761 456382171 /nfs/dbraw/zinc/38/21/71/456382171.db2.gz NOPWBAWOBMHLMP-YYZRRKBYSA-N 2 0 335.536 3.019 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343103310 456407713 /nfs/dbraw/zinc/40/77/13/456407713.db2.gz OSBUDGBXPBBWTP-IBGZPJMESA-N 2 0 335.923 3.191 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000340401784 456439019 /nfs/dbraw/zinc/43/90/19/456439019.db2.gz ZIUFPUBTVDPWJQ-UHFFFAOYSA-N 2 0 337.511 3.293 20 0 EGADRP c1c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)noc1-c1ccccc1 ZINC000298441030 456458616 /nfs/dbraw/zinc/45/86/16/456458616.db2.gz NLMQYNUEBKVUML-UHFFFAOYSA-N 2 0 334.423 3.495 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340472174 456479258 /nfs/dbraw/zinc/47/92/58/456479258.db2.gz CQGSIKCLVSNUEG-XLIONFOSSA-N 2 0 334.504 3.454 20 0 EGADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348101802 456482018 /nfs/dbraw/zinc/48/20/18/456482018.db2.gz LEIPKCOWVJUIIO-GOSISDBHSA-N 2 0 349.482 3.440 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(OC3CCCC3)c2)CC1(C)C ZINC000282460463 456522046 /nfs/dbraw/zinc/52/20/46/456522046.db2.gz TXSKTGBWUVMOEL-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP CCOC1CC(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000276592699 456523936 /nfs/dbraw/zinc/52/39/36/456523936.db2.gz JJHMBTAIHVRWLA-VXESANQCSA-N 2 0 334.504 3.483 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000276622272 456534169 /nfs/dbraw/zinc/53/41/69/456534169.db2.gz LOQUEADKZPHDSM-HXUWFJFHSA-N 2 0 340.467 3.500 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000307946239 456572428 /nfs/dbraw/zinc/57/24/28/456572428.db2.gz JDVOUBWPZKFVSM-SJORKVTESA-N 2 0 344.421 3.192 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCC(F)(F)CC1 ZINC000353239605 456580132 /nfs/dbraw/zinc/58/01/32/456580132.db2.gz XAEAMRQTZPVKFQ-OAHLLOKOSA-N 2 0 331.495 3.064 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000310057975 456580299 /nfs/dbraw/zinc/58/02/99/456580299.db2.gz YTOQQOQVMNHWTE-JKSUJKDBSA-N 2 0 339.524 3.144 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000353242051 456582532 /nfs/dbraw/zinc/58/25/32/456582532.db2.gz HKAMTSLQYVKANN-HXUWFJFHSA-N 2 0 345.531 3.035 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc21 ZINC000282748231 456612873 /nfs/dbraw/zinc/61/28/73/456612873.db2.gz AOKCAGYFPBJNPR-OALUTQOASA-N 2 0 328.456 3.020 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000343443819 456624239 /nfs/dbraw/zinc/62/42/39/456624239.db2.gz OKYJLKOCFIQGLH-RBUKOAKNSA-N 2 0 345.531 3.241 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)cc1 ZINC000343445057 456626292 /nfs/dbraw/zinc/62/62/92/456626292.db2.gz NQFXJXWTUDSQFZ-APWZRJJASA-N 2 0 331.504 3.131 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1O ZINC000277140081 456694689 /nfs/dbraw/zinc/69/46/89/456694689.db2.gz CSFRNWSQSYGLJW-HNNXBMFYSA-N 2 0 332.488 3.186 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277166783 456705025 /nfs/dbraw/zinc/70/50/25/456705025.db2.gz KNYSZYJIOAZSGE-LSDHHAIUSA-N 2 0 337.895 3.392 20 0 EGADRP COc1ccc(-c2nc(CN3CCC[C@H]([NH+](C)C)CC3)co2)cc1 ZINC000277168698 456706635 /nfs/dbraw/zinc/70/66/35/456706635.db2.gz KOHCDHMAKFWCSW-KRWDZBQOSA-N 2 0 329.444 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000343566594 456711031 /nfs/dbraw/zinc/71/10/31/456711031.db2.gz IKIZGHBMIILHRI-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000343586092 456725497 /nfs/dbraw/zinc/72/54/97/456725497.db2.gz PEGYZSZJJHCMOF-QZTJIDSGSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000291738582 456740478 /nfs/dbraw/zinc/74/04/78/456740478.db2.gz AJKCSBJCMBEQKC-QGZVFWFLSA-N 2 0 331.504 3.161 20 0 EGADRP FC1(F)CCC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000338306572 456762762 /nfs/dbraw/zinc/76/27/62/456762762.db2.gz MKAVVPXKBSYJOU-INIZCTEOSA-N 2 0 330.463 3.389 20 0 EGADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343917244 456782401 /nfs/dbraw/zinc/78/24/01/456782401.db2.gz CUVSHJDVGYXPCN-JRGCBEDISA-N 2 0 327.516 3.022 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000277335421 456783235 /nfs/dbraw/zinc/78/32/35/456783235.db2.gz UPPNXFIBGXYJPW-UYAOXDASSA-N 2 0 348.556 3.263 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1OC ZINC000344073383 456793246 /nfs/dbraw/zinc/79/32/46/456793246.db2.gz VNXMEWSOHKPXFO-XMTFNYHQSA-N 2 0 326.525 3.059 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348642892 456796396 /nfs/dbraw/zinc/79/63/96/456796396.db2.gz OCGTUZWGRFQSLL-KSZLIROESA-N 2 0 334.504 3.076 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000348671535 456809093 /nfs/dbraw/zinc/80/90/93/456809093.db2.gz XKGBSLYSKUCZML-XLIONFOSSA-N 2 0 345.531 3.263 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292013693 456829127 /nfs/dbraw/zinc/82/91/27/456829127.db2.gz BSGGSSVXCFAOFE-DLBZAZTESA-N 2 0 331.504 3.159 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc21 ZINC000338687370 456852853 /nfs/dbraw/zinc/85/28/53/456852853.db2.gz OJUGGZZCYWHQGW-MOPGFXCFSA-N 2 0 332.488 3.488 20 0 EGADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000292102128 456856069 /nfs/dbraw/zinc/85/60/69/456856069.db2.gz IBJLSKXDMAQQNE-MRXNPFEDSA-N 2 0 328.378 3.155 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000292173989 456875997 /nfs/dbraw/zinc/87/59/97/456875997.db2.gz WEWICQHTHQMMKM-IAGOWNOFSA-N 2 0 349.544 3.170 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)C[C@H]1C ZINC000353751977 456889955 /nfs/dbraw/zinc/88/99/55/456889955.db2.gz QYCKBDXBIKYCEM-CRAIPNDOSA-N 2 0 329.492 3.317 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc([C@H]4CCCO4)s3)C2)CC1 ZINC000349194232 456910143 /nfs/dbraw/zinc/91/01/43/456910143.db2.gz RRKHTGPNOAIDPI-DOTOQJQBSA-N 2 0 335.517 3.158 20 0 EGADRP C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000349290407 456932851 /nfs/dbraw/zinc/93/28/51/456932851.db2.gz XJZFLVWMSBPHOQ-AWEZNQCLSA-N 2 0 339.886 3.079 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349290880 456933356 /nfs/dbraw/zinc/93/33/56/456933356.db2.gz YIWCOQBVVCLVHF-MRXNPFEDSA-N 2 0 341.499 3.342 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000353906974 456960970 /nfs/dbraw/zinc/96/09/70/456960970.db2.gz PYDPTDDQDUSHLR-UYAOXDASSA-N 2 0 345.531 3.230 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000349671500 457012650 /nfs/dbraw/zinc/01/26/50/457012650.db2.gz WRSQVVUGWLFXID-MRXNPFEDSA-N 2 0 326.481 3.311 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)CC1 ZINC000354034063 457023550 /nfs/dbraw/zinc/02/35/50/457023550.db2.gz OULWTEXEYDOHBY-UHFFFAOYSA-N 2 0 341.543 3.166 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)cc1 ZINC000354035121 457023594 /nfs/dbraw/zinc/02/35/94/457023594.db2.gz WBVHUSPQHINGFT-UHFFFAOYSA-N 2 0 334.504 3.408 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2sccc2OC)CC1 ZINC000354035278 457024251 /nfs/dbraw/zinc/02/42/51/457024251.db2.gz WYBZBOVFNJVHKD-UHFFFAOYSA-N 2 0 326.506 3.080 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000339260932 457025687 /nfs/dbraw/zinc/02/56/87/457025687.db2.gz OBWGEBKSOAMOAQ-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000354078127 457047765 /nfs/dbraw/zinc/04/77/65/457047765.db2.gz NNUATVXNDYLZAL-QGZVFWFLSA-N 2 0 345.462 3.307 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000354085131 457051426 /nfs/dbraw/zinc/05/14/26/457051426.db2.gz UNEZKPOXGZDFIC-INIZCTEOSA-N 2 0 342.430 3.221 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362701172 457051746 /nfs/dbraw/zinc/05/17/46/457051746.db2.gz FJMDXPYIQZADMO-AHRSYUTCSA-N 2 0 333.495 3.235 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000356603743 457079242 /nfs/dbraw/zinc/07/92/42/457079242.db2.gz SGIXEHUUWGRDEM-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP COCC[N@H+](C)CCCC1CCN(c2nc3ccccc3n2C)CC1 ZINC000346653283 457093014 /nfs/dbraw/zinc/09/30/14/457093014.db2.gz JMWPETAMDNLVQB-UHFFFAOYSA-N 2 0 344.503 3.148 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@H]21 ZINC000342076564 457094722 /nfs/dbraw/zinc/09/47/22/457094722.db2.gz AIZTZAJBBLVHOH-NUEKZKHPSA-N 2 0 328.378 3.187 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)cc1 ZINC000354163667 457103242 /nfs/dbraw/zinc/10/32/42/457103242.db2.gz MTNWIYAUDGLXJH-UHFFFAOYSA-N 2 0 338.430 3.363 20 0 EGADRP Cc1ccc(-c2ncc(C[NH+]3CCC(OCCC[NH3+])CC3)s2)o1 ZINC000346686638 457111911 /nfs/dbraw/zinc/11/19/11/457111911.db2.gz RWJGHVUWJYUBSJ-UHFFFAOYSA-N 2 0 335.473 3.041 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccnn2C)c1 ZINC000354177192 457112326 /nfs/dbraw/zinc/11/23/26/457112326.db2.gz NVRDPHBCIHIURU-OAQYLSRUSA-N 2 0 338.499 3.313 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000342140136 457131376 /nfs/dbraw/zinc/13/13/76/457131376.db2.gz NWXWWUDIVMZYQA-DAXOMENPSA-N 2 0 344.377 3.023 20 0 EGADRP CCc1ccc(CN(C)C(=O)CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000350066075 457159502 /nfs/dbraw/zinc/15/95/02/457159502.db2.gz CVXPXLGSVRCUNR-YLJYHZDGSA-N 2 0 345.531 3.012 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCCC(C)C ZINC000346842445 457182554 /nfs/dbraw/zinc/18/25/54/457182554.db2.gz HUZLUQIXBFRRHX-KSZLIROESA-N 2 0 332.488 3.289 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000356870454 457188197 /nfs/dbraw/zinc/18/81/97/457188197.db2.gz SQCDDKSAGLLCOT-OXQOHEQNSA-N 2 0 325.456 3.090 20 0 EGADRP C[NH+](C)CC1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000354394287 457196465 /nfs/dbraw/zinc/19/64/65/457196465.db2.gz SLMQOULMEKHLFU-FQEVSTJZSA-N 2 0 343.515 3.014 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000331639333 457222348 /nfs/dbraw/zinc/22/23/48/457222348.db2.gz IDSCSQYFDSWRDE-QAPCUYQASA-N 2 0 333.451 3.430 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(OC(F)F)c1 ZINC000347091458 457224375 /nfs/dbraw/zinc/22/43/75/457224375.db2.gz FNWQSQHVZALFLE-MRXNPFEDSA-N 2 0 340.414 3.261 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000347155255 457260704 /nfs/dbraw/zinc/26/07/04/457260704.db2.gz COUBVYKNPOZKPN-GOSISDBHSA-N 2 0 332.488 3.448 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000342419440 457293366 /nfs/dbraw/zinc/29/33/66/457293366.db2.gz JZXRQIRKEDHBGK-UYAOXDASSA-N 2 0 339.483 3.448 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000357044445 457296075 /nfs/dbraw/zinc/29/60/75/457296075.db2.gz LUIXCFUIFNBPEE-BOSXTWCSSA-N 2 0 345.531 3.229 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1)CC1CC1 ZINC000357088356 457315556 /nfs/dbraw/zinc/31/55/56/457315556.db2.gz SCAGJQAZGQMWDO-FQEVSTJZSA-N 2 0 343.515 3.047 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1)CC1CC1 ZINC000357088357 457315733 /nfs/dbraw/zinc/31/57/33/457315733.db2.gz SCAGJQAZGQMWDO-HXUWFJFHSA-N 2 0 343.515 3.047 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357088125 457315898 /nfs/dbraw/zinc/31/58/98/457315898.db2.gz OCTGWECRIZPPFS-RHSMWYFYSA-N 2 0 326.444 3.119 20 0 EGADRP [NH3+]CCOCC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000357099692 457322049 /nfs/dbraw/zinc/32/20/49/457322049.db2.gz CUXFNCFMVDPLFT-UHFFFAOYSA-N 2 0 347.286 3.060 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCc3ccncc3)CC2)C[C@H](C)O1 ZINC000347302837 457340931 /nfs/dbraw/zinc/34/09/31/457340931.db2.gz PHRQHAWDRSSCLG-KDURUIRLSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H](C[NH2+]C1CC(c2ccccc2Cl)C1)CN1CC[NH+](C)CC1 ZINC000352435614 457365493 /nfs/dbraw/zinc/36/54/93/457365493.db2.gz RADBHCACIZCGQY-KLAILNCOSA-N 2 0 335.923 3.059 20 0 EGADRP Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000360868691 457393846 /nfs/dbraw/zinc/39/38/46/457393846.db2.gz CGFCDRDPZIFDAA-UHFFFAOYSA-N 2 0 331.435 3.229 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000360941839 457449769 /nfs/dbraw/zinc/44/97/69/457449769.db2.gz MNLDJWOKUMGFAD-GOSISDBHSA-N 2 0 344.528 3.396 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000342695690 457460767 /nfs/dbraw/zinc/46/07/67/457460767.db2.gz PRLNAMXIWZFGTN-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2)N1CC[NH+](C)CC1 ZINC000392915714 457462378 /nfs/dbraw/zinc/46/23/78/457462378.db2.gz VGJZYSNTQPTDRZ-AVRDEDQJSA-N 2 0 343.559 3.488 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000395006625 457475088 /nfs/dbraw/zinc/47/50/88/457475088.db2.gz IGYXEHGCKVIYMH-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000347516913 457479651 /nfs/dbraw/zinc/47/96/51/457479651.db2.gz HERGSMXIEWEBGV-YESZJQIVSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347528874 457488354 /nfs/dbraw/zinc/48/83/54/457488354.db2.gz TWXFXWQLOPRSMT-IAGOWNOFSA-N 2 0 341.499 3.016 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2cccc(Oc3ccncc3)c2)CC[N@@H+]1C ZINC000357414282 457506842 /nfs/dbraw/zinc/50/68/42/457506842.db2.gz MKTMJWCVEZLBLI-HOCLYGCPSA-N 2 0 325.412 3.086 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[NH+]2CCCC2)cc1 ZINC000347561291 457509505 /nfs/dbraw/zinc/50/95/05/457509505.db2.gz SRXHCRXAJXIVLP-NRFANRHFSA-N 2 0 349.478 3.165 20 0 EGADRP CCn1nc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000364221938 457532127 /nfs/dbraw/zinc/53/21/27/457532127.db2.gz NAQCKFGEEBBLJN-KRWDZBQOSA-N 2 0 326.488 3.364 20 0 EGADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCC(C)(C)[NH3+] ZINC000404515209 457544639 /nfs/dbraw/zinc/54/46/39/457544639.db2.gz SBFITKPFIPGENC-YESZJQIVSA-N 2 0 331.504 3.014 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000374305465 457577506 /nfs/dbraw/zinc/57/75/06/457577506.db2.gz JWOYLJGTIKMVEP-YLJYHZDGSA-N 2 0 331.504 3.198 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425501489 457578911 /nfs/dbraw/zinc/57/89/11/457578911.db2.gz OKAZOOWNKALFSE-PWRODBHTSA-N 2 0 327.516 3.067 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(C(=O)OC)CCC1 ZINC000361126422 457597184 /nfs/dbraw/zinc/59/71/84/457597184.db2.gz VFUKHURXKQJILQ-SFHVURJKSA-N 2 0 336.520 3.495 20 0 EGADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(C(=O)OC)CCC1 ZINC000361126415 457597710 /nfs/dbraw/zinc/59/77/10/457597710.db2.gz VFUKHURXKQJILQ-GOSISDBHSA-N 2 0 336.520 3.495 20 0 EGADRP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccs1 ZINC000361184486 457635586 /nfs/dbraw/zinc/63/55/86/457635586.db2.gz QXFVGLWYQXWBKN-HZPDHXFCSA-N 2 0 337.533 3.012 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000410367882 457638955 /nfs/dbraw/zinc/63/89/55/457638955.db2.gz LPMNIGUPHQMYRQ-FQEVSTJZSA-N 2 0 331.548 3.418 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCSc4ccc(F)cc43)C2)CC1 ZINC000370624865 457684464 /nfs/dbraw/zinc/68/44/64/457684464.db2.gz QUWUNMWKLCXLEG-MAUKXSAKSA-N 2 0 349.519 3.121 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370632914 457687381 /nfs/dbraw/zinc/68/73/81/457687381.db2.gz DWWNSLRWEOECNX-CTNGQTDRSA-N 2 0 347.522 3.151 20 0 EGADRP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)oc2c1 ZINC000426025659 457760867 /nfs/dbraw/zinc/76/08/67/457760867.db2.gz XMMIGUBDPNJMJT-IAGOWNOFSA-N 2 0 329.488 3.275 20 0 EGADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587206 457783873 /nfs/dbraw/zinc/78/38/73/457783873.db2.gz DGFLMJTZPQQNQL-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000433231959 457786363 /nfs/dbraw/zinc/78/63/63/457786363.db2.gz ZKWFQXMCTCWNDF-HXUWFJFHSA-N 2 0 343.515 3.162 20 0 EGADRP c1ncn(C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC000411210984 457831333 /nfs/dbraw/zinc/83/13/33/457831333.db2.gz ROPHJHKFJQHKSK-UHFFFAOYSA-N 2 0 339.487 3.101 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCOc2ccc(F)cc2C1 ZINC000426534646 457851739 /nfs/dbraw/zinc/85/17/39/457851739.db2.gz XBEPNECEKNKWQL-UHFFFAOYSA-N 2 0 338.386 3.109 20 0 EGADRP c1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc1C[NH+]1CCCCC1 ZINC000411323618 457857235 /nfs/dbraw/zinc/85/72/35/457857235.db2.gz LMLIWQOPPFHYRJ-PMACEKPBSA-N 2 0 346.540 3.379 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000411321821 457858357 /nfs/dbraw/zinc/85/83/57/457858357.db2.gz JBPWLOCAQLPICB-WOJBJXKFSA-N 2 0 346.540 3.379 20 0 EGADRP OC1(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000411334798 457859967 /nfs/dbraw/zinc/85/99/67/457859967.db2.gz ZHIANYCGVVQREU-PMACEKPBSA-N 2 0 328.500 3.278 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1)C1CC1 ZINC000444251485 457873183 /nfs/dbraw/zinc/87/31/83/457873183.db2.gz UJQZTWUGMUEFRJ-UHFFFAOYSA-N 2 0 349.478 3.204 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCO[C@H]1CCCCO1 ZINC000366982851 457916443 /nfs/dbraw/zinc/91/64/43/457916443.db2.gz PKRKDYIQEWRVIW-GIVPXCGWSA-N 2 0 346.515 3.420 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000358325734 457935231 /nfs/dbraw/zinc/93/52/31/457935231.db2.gz YOSODJWUFNFJIR-AEFFLSMTSA-N 2 0 332.488 3.379 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000358334596 457940913 /nfs/dbraw/zinc/94/09/13/457940913.db2.gz ZEZJZLZGKAGCNB-CZUORRHYSA-N 2 0 330.394 3.195 20 0 EGADRP COCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCO[C@H]1C ZINC000411658845 457941797 /nfs/dbraw/zinc/94/17/97/457941797.db2.gz XKTYYIUDJDIWGZ-GHTZIAJQSA-N 2 0 346.515 3.298 20 0 EGADRP Cc1cccc(NCC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000358383506 457968350 /nfs/dbraw/zinc/96/83/50/457968350.db2.gz PDMROZWSUKTKEV-QGZVFWFLSA-N 2 0 342.487 3.093 20 0 EGADRP CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000411797568 457980990 /nfs/dbraw/zinc/98/09/90/457980990.db2.gz RVWNHULFXFZDKS-FQEVSTJZSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@@H]1C[N@H+](CCSC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375599381 457984628 /nfs/dbraw/zinc/98/46/28/457984628.db2.gz QEWIEBPWFMEXND-IEBWSBKVSA-N 2 0 339.593 3.010 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358449171 458010466 /nfs/dbraw/zinc/01/04/66/458010466.db2.gz SLGAPQPSEWUUDS-GBESFXJTSA-N 2 0 349.563 3.362 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C2CCC2)cc1 ZINC000427694824 458023757 /nfs/dbraw/zinc/02/37/57/458023757.db2.gz DVNHNZOLWFCPCI-VQTJNVASSA-N 2 0 343.515 3.013 20 0 EGADRP Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000375738538 458044440 /nfs/dbraw/zinc/04/44/40/458044440.db2.gz PCHQHCQWYRBSID-XUVXKRRUSA-N 2 0 338.499 3.119 20 0 EGADRP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445411554 458046001 /nfs/dbraw/zinc/04/60/01/458046001.db2.gz KQGJVHOQWCWOOT-HMFYCAOWSA-N 2 0 341.543 3.194 20 0 EGADRP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445411556 458046297 /nfs/dbraw/zinc/04/62/97/458046297.db2.gz KQGJVHOQWCWOOT-KGVIQGDOSA-N 2 0 341.543 3.194 20 0 EGADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000358572533 458085562 /nfs/dbraw/zinc/08/55/62/458085562.db2.gz QHLUCGVOSVIHLW-UWHLTILDSA-N 2 0 330.516 3.284 20 0 EGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412120006 458098746 /nfs/dbraw/zinc/09/87/46/458098746.db2.gz YGIJRBMKYCHWOM-LJQANCHMSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412127665 458100927 /nfs/dbraw/zinc/10/09/27/458100927.db2.gz QQYPYJVTHHPBCV-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435373479 458124648 /nfs/dbraw/zinc/12/46/48/458124648.db2.gz UYANAFFFEMSUJP-UFRUDQCGSA-N 2 0 337.467 3.375 20 0 EGADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435377882 458128176 /nfs/dbraw/zinc/12/81/76/458128176.db2.gz GEPQOCFRIMXJQY-OAHLLOKOSA-N 2 0 343.858 3.373 20 0 EGADRP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)cs1 ZINC000435391777 458135296 /nfs/dbraw/zinc/13/52/96/458135296.db2.gz UGBXKYHTKQBDDO-KFKAGJAMSA-N 2 0 343.496 3.200 20 0 EGADRP CC(C)[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000412283135 458154671 /nfs/dbraw/zinc/15/46/71/458154671.db2.gz HWVPAOYUQCFJMM-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC000376017929 458164083 /nfs/dbraw/zinc/16/40/83/458164083.db2.gz GSASUXVXSPRLST-JUVOFCAFSA-N 2 0 339.524 3.285 20 0 EGADRP CN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435611473 458171998 /nfs/dbraw/zinc/17/19/98/458171998.db2.gz SKONLMBGNRYIHG-SFHVURJKSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435612741 458172724 /nfs/dbraw/zinc/17/27/24/458172724.db2.gz HGYLUDNEPRJAEL-LJQANCHMSA-N 2 0 326.488 3.453 20 0 EGADRP Cc1cccc(C)c1CN(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435692805 458185234 /nfs/dbraw/zinc/18/52/34/458185234.db2.gz KHDCYAQOVAFPBG-IBGZPJMESA-N 2 0 338.499 3.181 20 0 EGADRP c1csc(C[N@@H+](CCc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435697351 458186770 /nfs/dbraw/zinc/18/67/70/458186770.db2.gz SHEIYPYEHMDGKX-QGZVFWFLSA-N 2 0 327.497 3.330 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000446570063 458197757 /nfs/dbraw/zinc/19/77/57/458197757.db2.gz WBUXIQGOJULBIZ-AEFFLSMTSA-N 2 0 346.519 3.127 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000446570066 458199168 /nfs/dbraw/zinc/19/91/68/458199168.db2.gz WBUXIQGOJULBIZ-WMZOPIPTSA-N 2 0 346.519 3.127 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000362472376 458201779 /nfs/dbraw/zinc/20/17/79/458201779.db2.gz JTJXZLXJDSYVMY-GJYPPUQNSA-N 2 0 329.488 3.197 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000447084941 458263949 /nfs/dbraw/zinc/26/39/49/458263949.db2.gz GSSLQALLRKIOBM-INIZCTEOSA-N 2 0 337.533 3.050 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C[C@@H](C)O1 ZINC000436244881 458275668 /nfs/dbraw/zinc/27/56/68/458275668.db2.gz SFABASQGIZHJBH-HUUCEWRRSA-N 2 0 333.451 3.286 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372359296 458289737 /nfs/dbraw/zinc/28/97/37/458289737.db2.gz UQFHIFVMPFXRMR-VLCRHTCISA-N 2 0 338.495 3.090 20 0 EGADRP COC(=O)c1coc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000447546743 458309142 /nfs/dbraw/zinc/30/91/42/458309142.db2.gz YMDFJGQKAHTEMR-OWCLPIDISA-N 2 0 336.476 3.475 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000447603186 458320710 /nfs/dbraw/zinc/32/07/10/458320710.db2.gz VNFBGIKEMKHPSM-PXNSSMCTSA-N 2 0 345.531 3.295 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000429621809 458353428 /nfs/dbraw/zinc/35/34/28/458353428.db2.gz VLVAWGVEGXMHNY-IBGZPJMESA-N 2 0 333.520 3.364 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(F)cc(C)cc2Cl)CC1 ZINC000459415709 458363966 /nfs/dbraw/zinc/36/39/66/458363966.db2.gz WXYJIFLHPBFCNY-OAHLLOKOSA-N 2 0 341.902 3.151 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]1SC ZINC000459429587 458369094 /nfs/dbraw/zinc/36/90/94/458369094.db2.gz PNMMQGLLNWSTEG-KZNAEPCWSA-N 2 0 326.550 3.282 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)[C@H]1Sc1ccccc1 ZINC000459457992 458377064 /nfs/dbraw/zinc/37/70/64/458377064.db2.gz FALLSZQDYNPKNG-GUDVDZBRSA-N 2 0 334.529 3.400 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)CCN1Cc1ccccc1 ZINC000373037466 458382384 /nfs/dbraw/zinc/38/23/84/458382384.db2.gz WSAFMXFISXFSQI-NEWSRXKRSA-N 2 0 342.483 3.067 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448066459 458385759 /nfs/dbraw/zinc/38/57/59/458385759.db2.gz DOSZLKCTBIXHQR-SFHVURJKSA-N 2 0 346.519 3.033 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000376825022 458398228 /nfs/dbraw/zinc/39/82/28/458398228.db2.gz ZXJJOHJDKHJMLQ-PMXSJFBMSA-N 2 0 330.516 3.285 20 0 EGADRP CCc1noc(C2CCC([NH2+]C[C@H]3CCCn4cc(C)nc43)CC2)n1 ZINC000373120732 458402751 /nfs/dbraw/zinc/40/27/51/458402751.db2.gz HJYRQTYUSLDCKS-HWOWSKLDSA-N 2 0 343.475 3.330 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423440263 458433489 /nfs/dbraw/zinc/43/34/89/458433489.db2.gz ORSRJVGULWHYAO-MNEFBYGVSA-N 2 0 331.504 3.337 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423459478 458435345 /nfs/dbraw/zinc/43/53/45/458435345.db2.gz RGNCPYPQBLQCEH-LSDHHAIUSA-N 2 0 338.517 3.181 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423480412 458439640 /nfs/dbraw/zinc/43/96/40/458439640.db2.gz WBVUKDDJZNIZTC-ZSYZGHEHSA-N 3 0 341.543 3.394 20 0 EGADRP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CCCC1 ZINC000423510075 458447737 /nfs/dbraw/zinc/44/77/37/458447737.db2.gz RZFKBUCOAFAUPO-MHTWAQMVSA-N 2 0 327.516 3.004 20 0 EGADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423517093 458449025 /nfs/dbraw/zinc/44/90/25/458449025.db2.gz YNYFSUGBWJIXHK-YLJYHZDGSA-N 2 0 339.483 3.498 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459726049 458457980 /nfs/dbraw/zinc/45/79/80/458457980.db2.gz BFFYXRPNHPSEMF-SJLPKXTDSA-N 2 0 334.504 3.346 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459725967 458458613 /nfs/dbraw/zinc/45/86/13/458458613.db2.gz FTXXYEYLTJGLQQ-ZDUSSCGKSA-N 2 0 341.293 3.279 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(Cl)c1O ZINC000459729713 458461108 /nfs/dbraw/zinc/46/11/08/458461108.db2.gz DMNOWOICUXCCBX-CYBMUJFWSA-N 2 0 326.868 3.266 20 0 EGADRP COc1sc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000459733107 458462248 /nfs/dbraw/zinc/46/22/48/458462248.db2.gz NEMNPFWSVUCBNN-LLVKDONJSA-N 2 0 347.322 3.341 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccccc2SC)CC1 ZINC000430572336 458463528 /nfs/dbraw/zinc/46/35/28/458463528.db2.gz FTTKUAPJXFBMAI-UHFFFAOYSA-N 2 0 335.517 3.059 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430571993 458463743 /nfs/dbraw/zinc/46/37/43/458463743.db2.gz OVRJNMQZSOXARE-WBVHZDCISA-N 2 0 325.456 3.228 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000459745902 458466482 /nfs/dbraw/zinc/46/64/82/458466482.db2.gz YTWFMAPBVQVZJU-CYBMUJFWSA-N 2 0 341.293 3.279 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000430583846 458466946 /nfs/dbraw/zinc/46/69/46/458466946.db2.gz NPAWSECHWQHTKJ-HXUWFJFHSA-N 2 0 341.455 3.380 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1ccc(Cl)cc1Br ZINC000430587717 458467609 /nfs/dbraw/zinc/46/76/09/458467609.db2.gz ACLRUAOARXDFAU-CQSZACIVSA-N 2 0 349.700 3.444 20 0 EGADRP C[C@H](CCC[NH3+])NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000423696925 458472497 /nfs/dbraw/zinc/47/24/97/458472497.db2.gz YJBNELWMRRTZGD-QGZVFWFLSA-N 2 0 339.483 3.176 20 0 EGADRP CO[C@@H]1CC[NH+]([C@@H](C)CC[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564640 458481137 /nfs/dbraw/zinc/48/11/37/458481137.db2.gz MBVMQQBZJBZLIV-RCCFBDPRSA-N 2 0 340.552 3.259 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000423777381 458482233 /nfs/dbraw/zinc/48/22/33/458482233.db2.gz BVAUAXLFEKMIJP-HNAYVOBHSA-N 2 0 325.456 3.331 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(F)c2Br)C1 ZINC000459799770 458482309 /nfs/dbraw/zinc/48/23/09/458482309.db2.gz ZEQKMWBQLVKZSC-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c(F)cccc2Br)C1 ZINC000459800675 458482357 /nfs/dbraw/zinc/48/23/57/458482357.db2.gz ZWRXIKXTHIUGPH-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000430724338 458484722 /nfs/dbraw/zinc/48/47/22/458484722.db2.gz VEKCQYJMPDLHIW-POAQFYNOSA-N 2 0 345.531 3.282 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000437878887 458506717 /nfs/dbraw/zinc/50/67/17/458506717.db2.gz RGNYTRQTSVMUCW-PMACEKPBSA-N 2 0 347.547 3.307 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000430925641 458506826 /nfs/dbraw/zinc/50/68/26/458506826.db2.gz LMTLTEBDRMSGAE-MRXNPFEDSA-N 2 0 337.467 3.498 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2csc(-c3cccc(OC)c3)n2)CC1 ZINC000430946797 458509021 /nfs/dbraw/zinc/50/90/21/458509021.db2.gz YAYFMSMGUUCEBK-UHFFFAOYSA-N 2 0 331.485 3.250 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423906369 458510346 /nfs/dbraw/zinc/51/03/46/458510346.db2.gz QFQAVKAOQLCBFP-LFGUQSLTSA-N 2 0 345.531 3.023 20 0 EGADRP Cc1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000468396317 458515480 /nfs/dbraw/zinc/51/54/80/458515480.db2.gz VSPPYIWGSYFGGO-QFBILLFUSA-N 2 0 335.923 3.106 20 0 EGADRP Fc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377760054 458515617 /nfs/dbraw/zinc/51/56/17/458515617.db2.gz INHNVKJTPBMGDF-ZWKOTPCHSA-N 2 0 325.431 3.175 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424234225 458588678 /nfs/dbraw/zinc/58/86/78/458588678.db2.gz GNLOYYTVMIHBQA-LJQANCHMSA-N 2 0 325.456 3.475 20 0 EGADRP CC(C)(C)c1cn2c(n1)CC[C@@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCC3)C2 ZINC000493933660 458601968 /nfs/dbraw/zinc/60/19/68/458601968.db2.gz DVXYJNZFCTWFLE-DTTOXWODSA-N 2 0 329.488 3.043 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424285171 458603562 /nfs/dbraw/zinc/60/35/62/458603562.db2.gz FKECGLMGBIQFFB-INIZCTEOSA-N 2 0 329.488 3.213 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000469979800 458604151 /nfs/dbraw/zinc/60/41/51/458604151.db2.gz ABCKIQVMSZMCKS-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1)[NH+](CC)CC ZINC000469986931 458604657 /nfs/dbraw/zinc/60/46/57/458604657.db2.gz HYGAPYCZHPCKBW-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299825 458609332 /nfs/dbraw/zinc/60/93/32/458609332.db2.gz VXQULTNHGHUOFA-CQSZACIVSA-N 2 0 330.451 3.159 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424300126 458609538 /nfs/dbraw/zinc/60/95/38/458609538.db2.gz JSGCYTIAPCMEGM-LJQANCHMSA-N 3 0 335.511 3.312 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000431772182 458620953 /nfs/dbraw/zinc/62/09/53/458620953.db2.gz YLRZRDSWXNWHNR-FQEVSTJZSA-N 2 0 347.547 3.260 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000424445763 458644601 /nfs/dbraw/zinc/64/46/01/458644601.db2.gz PHCNTUCHMKIDGF-GOSISDBHSA-N 2 0 344.434 3.017 20 0 EGADRP CC(C)c1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462787560 458654081 /nfs/dbraw/zinc/65/40/81/458654081.db2.gz LHYPFRQTOJNPBV-MRXNPFEDSA-N 2 0 333.524 3.012 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000494361356 458664398 /nfs/dbraw/zinc/66/43/98/458664398.db2.gz BOFUQUVGEZTQEN-HUUCEWRRSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000546724973 458666631 /nfs/dbraw/zinc/66/66/31/458666631.db2.gz WSJNDYJFJRMHDW-BEFAXECRSA-N 2 0 335.923 3.333 20 0 EGADRP Fc1ccc(Cl)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530242425 458727740 /nfs/dbraw/zinc/72/77/40/458727740.db2.gz USJPQPZDQWEPDS-INIZCTEOSA-N 2 0 326.843 3.070 20 0 EGADRP COc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C(C)C)cc1 ZINC000432421139 458737591 /nfs/dbraw/zinc/73/75/91/458737591.db2.gz NYNOVUWWIAKPCF-YLJYHZDGSA-N 2 0 334.504 3.483 20 0 EGADRP CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)s1 ZINC000432420797 458737764 /nfs/dbraw/zinc/73/77/64/458737764.db2.gz MQMMYIFAEFYTNI-ZIAGYGMSSA-N 2 0 325.522 3.165 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432438701 458740777 /nfs/dbraw/zinc/74/07/77/458740777.db2.gz BUQNUDRPDSJFDM-YLJYHZDGSA-N 2 0 336.495 3.483 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C/C=C\c3ccncc3)CC2)C[C@H](C)O1 ZINC000494985429 458778291 /nfs/dbraw/zinc/77/82/91/458778291.db2.gz JXZQKRLJQKGFIA-FANKGXDISA-N 2 0 343.515 3.306 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C/C=C/c3ccncc3)CC2)C[C@H](C)O1 ZINC000494985430 458778403 /nfs/dbraw/zinc/77/84/03/458778403.db2.gz JXZQKRLJQKGFIA-HDAKTPJGSA-N 2 0 343.515 3.306 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCC23CCCC3)c2ccccc2)CC1 ZINC000530545836 458787591 /nfs/dbraw/zinc/78/75/91/458787591.db2.gz OBBVYUKOLPDHOV-UXHICEINSA-N 2 0 327.516 3.288 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548063668 458830702 /nfs/dbraw/zinc/83/07/02/458830702.db2.gz JIESWENAINBMLH-UHFFFAOYSA-N 2 0 331.504 3.384 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2Cc3cccc(O)c3C2)CC1 ZINC000433038427 458831067 /nfs/dbraw/zinc/83/10/67/458831067.db2.gz GSXKUDIPCKSJIB-BPAFIMBUSA-N 2 0 328.500 3.492 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000548064857 458832430 /nfs/dbraw/zinc/83/24/30/458832430.db2.gz JPSZQOMQPLUVFI-FXAWDEMLSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000530901691 458842201 /nfs/dbraw/zinc/84/22/01/458842201.db2.gz QJHHTBUXHGNKMV-AEFFLSMTSA-N 2 0 342.487 3.474 20 0 EGADRP Brc1cnccc1N1CCN(Cc2ccsc2)CC1 ZINC000548152084 458846143 /nfs/dbraw/zinc/84/61/43/458846143.db2.gz ZFOBQWXOVCRAQF-UHFFFAOYSA-N 2 0 338.274 3.228 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000495514349 458871997 /nfs/dbraw/zinc/87/19/97/458871997.db2.gz YRANGGPMLICYIK-KRWDZBQOSA-N 2 0 339.524 3.099 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000519144145 458918753 /nfs/dbraw/zinc/91/87/53/458918753.db2.gz LEJLFUNZGNEZBG-HNNXBMFYSA-N 2 0 335.467 3.317 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000519529872 458957357 /nfs/dbraw/zinc/95/73/57/458957357.db2.gz YHGCMLDZXHPUKI-WBVHZDCISA-N 2 0 344.503 3.181 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000467867377 458990417 /nfs/dbraw/zinc/99/04/17/458990417.db2.gz OIWGSMYQGSFTLX-WMZOPIPTSA-N 2 0 345.531 3.222 20 0 EGADRP C[N@H+](CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000566736701 458991790 /nfs/dbraw/zinc/99/17/90/458991790.db2.gz KMNOZCNEYGDBHP-LJQANCHMSA-N 2 0 345.531 3.483 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495951795 459017465 /nfs/dbraw/zinc/01/74/65/459017465.db2.gz SAOQHRPEFKMMLF-LJQANCHMSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476975109 459023813 /nfs/dbraw/zinc/02/38/13/459023813.db2.gz QVBBMOHOJRRDOM-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577373696 459023917 /nfs/dbraw/zinc/02/39/17/459023917.db2.gz YBRHFDSOMQULAF-IAGOWNOFSA-N 2 0 325.456 3.065 20 0 EGADRP Oc1cccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000556883458 459027195 /nfs/dbraw/zinc/02/71/95/459027195.db2.gz JYVBNNMWEOIFEC-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000556915695 459032956 /nfs/dbraw/zinc/03/29/56/459032956.db2.gz SKQUOBUVFVEDJI-GUYCJALGSA-N 2 0 326.431 3.442 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000442798109 459038227 /nfs/dbraw/zinc/03/82/27/459038227.db2.gz YACWLSNJZKHLPS-NUJGCVRESA-N 2 0 331.504 3.140 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496034499 459044330 /nfs/dbraw/zinc/04/43/30/459044330.db2.gz GAEUKWMFTQHDKR-KRWDZBQOSA-N 2 0 339.524 3.051 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000442875964 459050294 /nfs/dbraw/zinc/05/02/94/459050294.db2.gz QAMFOMRUSCZZPJ-UXHICEINSA-N 2 0 329.532 3.487 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442878127 459050702 /nfs/dbraw/zinc/05/07/02/459050702.db2.gz SHLZPSLHFOHJSE-IBGZPJMESA-N 2 0 335.511 3.008 20 0 EGADRP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442917332 459060126 /nfs/dbraw/zinc/06/01/26/459060126.db2.gz AFOALFLUDWUVRD-CYBMUJFWSA-N 2 0 326.868 3.308 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000496126632 459078008 /nfs/dbraw/zinc/07/80/08/459078008.db2.gz FHBMXMGUBTZRTC-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000443060880 459081526 /nfs/dbraw/zinc/08/15/26/459081526.db2.gz PXZGVPDLBMEEPU-QGZVFWFLSA-N 2 0 337.467 3.500 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)c1 ZINC000443065048 459083343 /nfs/dbraw/zinc/08/33/43/459083343.db2.gz ZHZDWPGIUJOUOV-CQSZACIVSA-N 2 0 331.485 3.380 20 0 EGADRP CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000590125969 459088576 /nfs/dbraw/zinc/08/85/76/459088576.db2.gz ZMRDXVMWAUFRPF-UHFFFAOYSA-N 2 0 339.568 3.181 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1NC(C)=O ZINC000577946783 459120786 /nfs/dbraw/zinc/12/07/86/459120786.db2.gz OQJPMNXUVOUFHE-OKZBNKHCSA-N 2 0 345.487 3.054 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000567645835 459139181 /nfs/dbraw/zinc/13/91/81/459139181.db2.gz CMALVMYFMLJNGF-AADNMHCOSA-N 2 0 326.843 3.287 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2cccc(C)n2)CC1 ZINC000567781300 459167984 /nfs/dbraw/zinc/16/79/84/459167984.db2.gz BDGRWEGDOYBCMV-UHFFFAOYSA-N 2 0 333.520 3.003 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000496374369 459170280 /nfs/dbraw/zinc/17/02/80/459170280.db2.gz CTEWXBYWVAEWPD-GTPINHCMSA-N 2 0 339.524 3.144 20 0 EGADRP Cn1c2ccc(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)cc2nc1C1CC1 ZINC000567818363 459173288 /nfs/dbraw/zinc/17/32/88/459173288.db2.gz XWMKDCYWYBOEGO-QGZVFWFLSA-N 2 0 346.434 3.276 20 0 EGADRP CC[C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000480378842 459195636 /nfs/dbraw/zinc/19/56/36/459195636.db2.gz OQPCTWDAWKCCEN-VQIMIIECSA-N 2 0 345.531 3.106 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1(C)C ZINC000522058820 459208631 /nfs/dbraw/zinc/20/86/31/459208631.db2.gz WDHDVFPKQDWOAW-SFHVURJKSA-N 2 0 335.923 3.333 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786481 459219572 /nfs/dbraw/zinc/21/95/72/459219572.db2.gz CDZGTSJMSQOREL-UHFFFAOYSA-N 2 0 331.504 3.092 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537082 459231805 /nfs/dbraw/zinc/23/18/05/459231805.db2.gz CNTUCDVRRMUPCK-SJORKVTESA-N 2 0 341.540 3.057 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000533538427 459250616 /nfs/dbraw/zinc/25/06/16/459250616.db2.gz PAGIVWTZTOMQFF-UHFFFAOYSA-N 2 0 331.504 3.092 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481726488 459271514 /nfs/dbraw/zinc/27/15/14/459271514.db2.gz MYYRUACHGMNEAQ-WIYYLYMNSA-N 3 0 329.532 3.492 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000559753076 459275394 /nfs/dbraw/zinc/27/53/94/459275394.db2.gz KYHNNQAPVVHXDB-RXVVDRJESA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)c1nnc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000559790519 459276968 /nfs/dbraw/zinc/27/69/68/459276968.db2.gz YBTBYSPCACTGGY-BHYGNILZSA-N 2 0 327.476 3.414 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000581938899 459279176 /nfs/dbraw/zinc/27/91/76/459279176.db2.gz ZYZLJSZBNLCVNB-ROUUACIJSA-N 2 0 331.504 3.363 20 0 EGADRP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000559842555 459280065 /nfs/dbraw/zinc/28/00/65/459280065.db2.gz JZFQKJPWJYDNLL-BDTNDASRSA-N 2 0 338.495 3.324 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771339 459317338 /nfs/dbraw/zinc/31/73/38/459317338.db2.gz JTHICFIUMVDQEF-JKSUJKDBSA-N 2 0 327.513 3.048 20 0 EGADRP CCCCN(CCCC)C(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000524252005 459352996 /nfs/dbraw/zinc/35/29/96/459352996.db2.gz WVYBSRNJAOTXBM-IBGZPJMESA-N 2 0 337.552 3.366 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000496877043 459355786 /nfs/dbraw/zinc/35/57/86/459355786.db2.gz SVGNIHHYCSOTPA-OAGGEKHMSA-N 2 0 339.524 3.285 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000483619286 459377486 /nfs/dbraw/zinc/37/74/86/459377486.db2.gz GZWZCBQAJFRWQM-DYXWJJEUSA-N 2 0 348.531 3.489 20 0 EGADRP CC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000483688936 459382867 /nfs/dbraw/zinc/38/28/67/459382867.db2.gz DFWZUUCUKTUCQQ-UZLBHIALSA-N 2 0 334.504 3.483 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)CC1 ZINC000540748558 459384631 /nfs/dbraw/zinc/38/46/31/459384631.db2.gz QFAGRXCBUGFYFW-LQWHRVPQSA-N 2 0 344.547 3.358 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)Oc1cccc(Br)c1 ZINC000483817235 459395126 /nfs/dbraw/zinc/39/51/26/459395126.db2.gz KGWBGGLSWJHZBS-XJKCOSOUSA-N 2 0 341.293 3.146 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CCC(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000591569761 459402452 /nfs/dbraw/zinc/40/24/52/459402452.db2.gz CYORSEHHGFYCMW-KRWDZBQOSA-N 2 0 346.515 3.265 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484139773 459407401 /nfs/dbraw/zinc/40/74/01/459407401.db2.gz FXWMPLCUJXFKOS-CZUORRHYSA-N 2 0 337.305 3.411 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000569411474 459446359 /nfs/dbraw/zinc/44/63/59/459446359.db2.gz JVAWTBJVKLHHPF-FQEVSTJZSA-N 2 0 333.520 3.437 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000561976701 459498654 /nfs/dbraw/zinc/49/86/54/459498654.db2.gz QBDZOVWPTOFETK-ROUUACIJSA-N 2 0 334.504 3.345 20 0 EGADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509244 /nfs/dbraw/zinc/50/92/44/459509244.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 2 0 341.543 3.219 20 0 EGADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509485 /nfs/dbraw/zinc/50/94/85/459509485.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 2 0 341.543 3.219 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000569803324 459512430 /nfs/dbraw/zinc/51/24/30/459512430.db2.gz NCYBWFCWNQBQIG-WOJBJXKFSA-N 2 0 348.531 3.287 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000562239391 459521075 /nfs/dbraw/zinc/52/10/75/459521075.db2.gz QPLDETJVQUXHTQ-MJGOQNOKSA-N 2 0 348.535 3.017 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000562239390 459521532 /nfs/dbraw/zinc/52/15/32/459521532.db2.gz QPLDETJVQUXHTQ-IEBWSBKVSA-N 2 0 348.535 3.017 20 0 EGADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000572998698 459608862 /nfs/dbraw/zinc/60/88/62/459608862.db2.gz MHQRJCPIXXHJGO-HXUWFJFHSA-N 2 0 343.515 3.380 20 0 EGADRP Fc1cccc(-c2noc([C@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000562836219 459657851 /nfs/dbraw/zinc/65/78/51/459657851.db2.gz XKVPSBBJGWRAEX-ZBFHGGJFSA-N 2 0 344.434 3.055 20 0 EGADRP C[N@H+](CCCn1ccnc1)Cc1cc(Br)cc(F)c1F ZINC000584116086 459659351 /nfs/dbraw/zinc/65/93/51/459659351.db2.gz IHVOXRNVAUKDPN-UHFFFAOYSA-N 2 0 344.203 3.446 20 0 EGADRP C[C@H]1C[C@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)CC[NH2+]1 ZINC000527617431 459670479 /nfs/dbraw/zinc/67/04/79/459670479.db2.gz KZUYDPAZDUTRQX-NWDGAFQWSA-N 2 0 341.268 3.334 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000562957103 459680075 /nfs/dbraw/zinc/68/00/75/459680075.db2.gz WJGISCDIGDCZFY-FYQPLNBISA-N 2 0 334.479 3.149 20 0 EGADRP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000584239743 459688751 /nfs/dbraw/zinc/68/87/51/459688751.db2.gz KSTWHRJOWMNICK-SJORKVTESA-N 2 0 328.500 3.421 20 0 EGADRP COc1ccc(C[C@H]2CCC[N@H+](CCCc3cncn3C)C2)cc1 ZINC000584239919 459688783 /nfs/dbraw/zinc/68/87/83/459688783.db2.gz QKOOXWHMLSJKSB-GOSISDBHSA-N 2 0 327.472 3.316 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000563036068 459701967 /nfs/dbraw/zinc/70/19/67/459701967.db2.gz ALIQCGSOYNRQTA-WMZOPIPTSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cc2)C1 ZINC000573805820 459739440 /nfs/dbraw/zinc/73/94/40/459739440.db2.gz QDNPDRSKAQYPNZ-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C1 ZINC000573862329 459748242 /nfs/dbraw/zinc/74/82/42/459748242.db2.gz IGTCPEPBVTWKFL-UONOGXRCSA-N 2 0 336.277 3.332 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)c2ccccc21 ZINC000566089207 459803381 /nfs/dbraw/zinc/80/33/81/459803381.db2.gz GRTUMWOAQXBDIM-NWDGAFQWSA-N 2 0 327.375 3.439 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000566103424 459805229 /nfs/dbraw/zinc/80/52/29/459805229.db2.gz NRLCXYODTRANJK-QGZVFWFLSA-N 2 0 339.487 3.056 20 0 EGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000566107025 459806442 /nfs/dbraw/zinc/80/64/42/459806442.db2.gz DMMWATUCORQLLI-NRFANRHFSA-N 2 0 342.458 3.115 20 0 EGADRP C[C@H]1[NH2+]CC[C@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000566208807 459822957 /nfs/dbraw/zinc/82/29/57/459822957.db2.gz NUBJDCXMWMTXHN-RHSMWYFYSA-N 2 0 326.444 3.188 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000566257685 459830564 /nfs/dbraw/zinc/83/05/64/459830564.db2.gz LJPDEKZHNFAKLE-HUUCEWRRSA-N 2 0 342.487 3.326 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000575161586 459939275 /nfs/dbraw/zinc/93/92/75/459939275.db2.gz HVOHKUHGNWVFPK-AZUAARDMSA-N 2 0 341.455 3.060 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000598672955 459985968 /nfs/dbraw/zinc/98/59/68/459985968.db2.gz MKAMNFMSJGAFNX-KRWDZBQOSA-N 2 0 335.561 3.301 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621651795 459995894 /nfs/dbraw/zinc/99/58/94/459995894.db2.gz QBVOTEONZYOJDS-HDYDNRTBSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC000618424479 460007836 /nfs/dbraw/zinc/00/78/36/460007836.db2.gz IXDHULDBTLVOTF-UZLBHIALSA-N 2 0 349.519 3.362 20 0 EGADRP CCCc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000621727781 460032894 /nfs/dbraw/zinc/03/28/94/460032894.db2.gz PQZKDNULISNMDT-UHFFFAOYSA-N 2 0 335.561 3.160 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000621751468 460047307 /nfs/dbraw/zinc/04/73/07/460047307.db2.gz HGETUZKGQYDEOH-MJGOQNOKSA-N 2 0 329.488 3.194 20 0 EGADRP CCn1cc(CC[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775545 460059393 /nfs/dbraw/zinc/05/93/93/460059393.db2.gz RFBYMTFPTSTPQN-SFTDATJTSA-N 2 0 340.515 3.118 20 0 EGADRP Fc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000576636670 460183361 /nfs/dbraw/zinc/18/33/61/460183361.db2.gz MDHYNVZVDKFGSR-CYBMUJFWSA-N 2 0 341.268 3.410 20 0 EGADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000576820436 460219109 /nfs/dbraw/zinc/21/91/09/460219109.db2.gz RUJPNSAHBAALGA-HOTGVXAUSA-N 2 0 339.483 3.015 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622394612 460257841 /nfs/dbraw/zinc/25/78/41/460257841.db2.gz ORSSWWUBFCOUQZ-MJGOQNOKSA-N 2 0 335.536 3.116 20 0 EGADRP C[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+]1CCCCCC1 ZINC000615445412 460329784 /nfs/dbraw/zinc/32/97/84/460329784.db2.gz OLLRIIPBJYISTN-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+]1CCN(C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000623015121 460383825 /nfs/dbraw/zinc/38/38/25/460383825.db2.gz GFFOBPYUSSFPJS-NRFANRHFSA-N 2 0 329.532 3.172 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ncccc32)[C@H](C)C1 ZINC000631580154 460455559 /nfs/dbraw/zinc/45/55/59/460455559.db2.gz DIGBCTWWXLPSRD-KPFFTGBYSA-N 2 0 331.504 3.186 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000634682337 460475151 /nfs/dbraw/zinc/47/51/51/460475151.db2.gz NRTUMEMKPXYFCS-LJQANCHMSA-N 2 0 346.515 3.251 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000634688450 460477410 /nfs/dbraw/zinc/47/74/10/460477410.db2.gz SSNLOVUGYSQKHO-AHRSYUTCSA-N 2 0 325.456 3.096 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000631666085 460499901 /nfs/dbraw/zinc/49/99/01/460499901.db2.gz ZUGPANOOWPIWQN-IMFGXOCKSA-N 2 0 338.499 3.155 20 0 EGADRP CCC[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631668118 460502214 /nfs/dbraw/zinc/50/22/14/460502214.db2.gz VSNBRNMXHKLFOE-ICSRJNTNSA-N 2 0 329.532 3.219 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000629532925 460799233 /nfs/dbraw/zinc/79/92/33/460799233.db2.gz YUBDCTBCZAWTQS-XLIONFOSSA-N 2 0 331.504 3.096 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)cc2c1 ZINC000629537931 460799458 /nfs/dbraw/zinc/79/94/58/460799458.db2.gz LJZQAGDREBWEHV-UHFFFAOYSA-N 2 0 347.466 3.180 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc2c1 ZINC000629538017 460800981 /nfs/dbraw/zinc/80/09/81/460800981.db2.gz NNKPHONLRXSHEU-PZJWPPBQSA-N 2 0 339.483 3.262 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1c(Cl)cccc1Cl ZINC000629558121 460806987 /nfs/dbraw/zinc/80/69/87/460806987.db2.gz AVHFBNLPQQDZNC-OLZOCXBDSA-N 2 0 331.287 3.143 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351304 460826266 /nfs/dbraw/zinc/82/62/66/460826266.db2.gz IMPAZOWLEJVRCE-ROUUACIJSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCCN3CC(F)F)CC2)C1 ZINC000624096335 460858367 /nfs/dbraw/zinc/85/83/67/460858367.db2.gz YYZUAQXZDVHXMK-NJAFHUGGSA-N 2 0 343.506 3.349 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1C ZINC000624119673 460868260 /nfs/dbraw/zinc/86/82/60/460868260.db2.gz GVHOZSITUICRGH-FUHWJXTLSA-N 2 0 331.504 3.342 20 0 EGADRP [NH3+][C@@H](CO)c1ccc(-c2cccc(OCC[NH+]3CCCCC3)c2)cc1 ZINC000629698776 460872742 /nfs/dbraw/zinc/87/27/42/460872742.db2.gz ZCQVLRMAOOAMJB-NRFANRHFSA-N 2 0 340.467 3.210 20 0 EGADRP C[NH+](C)Cc1cccc(-c2ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc2)c1 ZINC000629706220 460878845 /nfs/dbraw/zinc/87/88/45/460878845.db2.gz GMRBRSNOVDPWDW-FQEVSTJZSA-N 2 0 332.451 3.373 20 0 EGADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000635722652 460897967 /nfs/dbraw/zinc/89/79/67/460897967.db2.gz CGCUOLDDBWDDJQ-FQEVSTJZSA-N 2 0 347.547 3.118 20 0 EGADRP CCOc1cncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000621330764 460991517 /nfs/dbraw/zinc/99/15/17/460991517.db2.gz AQYCGNNUIUKJGU-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CCOc1cncc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621343648 460998188 /nfs/dbraw/zinc/99/81/88/460998188.db2.gz MFLRFHCUNMKJCC-FXAWDEMLSA-N 2 0 339.483 3.481 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2 ZINC000635984866 460998562 /nfs/dbraw/zinc/99/85/62/460998562.db2.gz BABAIRWSSRFBSD-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+]1CCCCCC1 ZINC000608352708 461043567 /nfs/dbraw/zinc/04/35/67/461043567.db2.gz HMWVURZWRFNJBA-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628210699 461049560 /nfs/dbraw/zinc/04/95/60/461049560.db2.gz GQZYFRARHYAPEU-UHFFFAOYSA-N 2 0 344.421 3.338 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000628228374 461054441 /nfs/dbraw/zinc/05/44/41/461054441.db2.gz MIGZVQPONXYKJJ-QMMLZNLJSA-N 2 0 330.516 3.456 20 0 EGADRP Cc1ccc([C@@H](C)C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628278838 461069702 /nfs/dbraw/zinc/06/97/02/461069702.db2.gz JRMDRSXIPZGVDY-GHTZIAJQSA-N 2 0 329.532 3.199 20 0 EGADRP CCC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000624703767 461096541 /nfs/dbraw/zinc/09/65/41/461096541.db2.gz WPTZXBSWKDDLEC-UHFFFAOYSA-N 2 0 325.456 3.316 20 0 EGADRP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000652349369 461142547 /nfs/dbraw/zinc/14/25/47/461142547.db2.gz MDPCIFWWPKFVMG-SOUVJXGZSA-N 2 0 337.533 3.159 20 0 EGADRP c1ccc(CC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]2CCOC2)cc1 ZINC000662257131 461147024 /nfs/dbraw/zinc/14/70/24/461147024.db2.gz ASSLAASNXDGNQA-NRFANRHFSA-N 2 0 336.479 3.166 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652354664 461148853 /nfs/dbraw/zinc/14/88/53/461148853.db2.gz DPTFRUPDPHVYQC-VQIMIIECSA-N 2 0 331.504 3.022 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169745 461154134 /nfs/dbraw/zinc/15/41/34/461154134.db2.gz YTFOJPQHLNBQNZ-XLIONFOSSA-N 2 0 346.515 3.264 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662280050 461163082 /nfs/dbraw/zinc/16/30/82/461163082.db2.gz BWWLHQYMCDVRMW-LPHOPBHVSA-N 2 0 345.512 3.057 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)on2)cc1 ZINC000662284870 461166477 /nfs/dbraw/zinc/16/64/77/461166477.db2.gz ZTSKUMLVPCCWOB-DZKIICNBSA-N 2 0 329.444 3.155 20 0 EGADRP c1ccc(CCOCCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662292558 461170255 /nfs/dbraw/zinc/17/02/55/461170255.db2.gz OABQBTVIYOAOPH-NRFANRHFSA-N 2 0 330.516 3.347 20 0 EGADRP c1cc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cs1 ZINC000662297854 461175027 /nfs/dbraw/zinc/17/50/27/461175027.db2.gz SLJNOMANXJTMET-CQSZACIVSA-N 2 0 332.473 3.010 20 0 EGADRP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297791 461176673 /nfs/dbraw/zinc/17/66/73/461176673.db2.gz RTKJMIKXJKYPLI-KRWDZBQOSA-N 2 0 340.471 3.257 20 0 EGADRP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662312984 461184104 /nfs/dbraw/zinc/18/41/04/461184104.db2.gz IXEHWARIAPOFNO-BZUAXINKSA-N 2 0 338.496 3.143 20 0 EGADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662313374 461186088 /nfs/dbraw/zinc/18/60/88/461186088.db2.gz LIMKDUDHIFKSFF-IEBWSBKVSA-N 2 0 331.504 3.267 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315473 461187675 /nfs/dbraw/zinc/18/76/75/461187675.db2.gz SYTGQLSDQIYTAK-RDTXWAMCSA-N 2 0 335.467 3.302 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000638023631 461203484 /nfs/dbraw/zinc/20/34/84/461203484.db2.gz YOUVSXLLRZMDTL-UHFFFAOYSA-N 2 0 325.456 3.131 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c1 ZINC000662398169 461231355 /nfs/dbraw/zinc/23/13/55/461231355.db2.gz APELFIURVOAXNX-GOSISDBHSA-N 2 0 337.467 3.427 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]([NH3+])CCC(C)C ZINC000638087851 461231290 /nfs/dbraw/zinc/23/12/90/461231290.db2.gz AEFJAEHTGYXIEY-QGZVFWFLSA-N 2 0 349.544 3.246 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1)C(C)C ZINC000646481542 461289833 /nfs/dbraw/zinc/28/98/33/461289833.db2.gz OOOTXJOUJKDYGN-APWZRJJASA-N 2 0 331.504 3.082 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)CC1CCCCC1 ZINC000662588218 461307423 /nfs/dbraw/zinc/30/74/23/461307423.db2.gz RYCGEDSDABNHOD-WOJBJXKFSA-N 2 0 349.563 3.303 20 0 EGADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000662693363 461349958 /nfs/dbraw/zinc/34/99/58/461349958.db2.gz ULJPVIGKZTXMOP-SFHVURJKSA-N 2 0 329.488 3.042 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000638301313 461354426 /nfs/dbraw/zinc/35/44/26/461354426.db2.gz YHLDXEOIVYPTOZ-UHFFFAOYSA-N 2 0 345.314 3.361 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655708901 461378477 /nfs/dbraw/zinc/37/84/77/461378477.db2.gz PJMJPYBSZGGYHH-FXAWDEMLSA-N 2 0 329.532 3.154 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000652871932 461395751 /nfs/dbraw/zinc/39/57/51/461395751.db2.gz ZVXGIWYLKOQPMN-QGZVFWFLSA-N 2 0 335.517 3.153 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CS[C@H](C)C3)CC2)cc1 ZINC000638454660 461435925 /nfs/dbraw/zinc/43/59/25/461435925.db2.gz ZVJQLPAHBHUIBH-CRAIPNDOSA-N 2 0 334.529 3.391 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000655780574 461442454 /nfs/dbraw/zinc/44/24/54/461442454.db2.gz WEUZKNRNQQLZJA-MRXNPFEDSA-N 2 0 330.451 3.141 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000655780476 461443728 /nfs/dbraw/zinc/44/37/28/461443728.db2.gz NRHVWBTVUHQZOQ-GOSISDBHSA-N 2 0 326.488 3.311 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638484517 461449224 /nfs/dbraw/zinc/44/92/24/461449224.db2.gz YNRSQLHMJMFMFC-ROUUACIJSA-N 2 0 338.536 3.203 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088526 461450334 /nfs/dbraw/zinc/45/03/34/461450334.db2.gz GOTCZYJURHWRKF-GOSISDBHSA-N 2 0 349.950 3.061 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000659875860 461474759 /nfs/dbraw/zinc/47/47/59/461474759.db2.gz QNBYXTWNUNMTGC-HXUWFJFHSA-N 2 0 346.515 3.067 20 0 EGADRP CC(C)O[C@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000638563703 461486862 /nfs/dbraw/zinc/48/68/62/461486862.db2.gz BLCLGQCOCXOVQH-OAQYLSRUSA-N 2 0 347.547 3.016 20 0 EGADRP COc1ccccc1N1CCC([NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000631045451 461498114 /nfs/dbraw/zinc/49/81/14/461498114.db2.gz GETWUVWVLUEGAL-SFHVURJKSA-N 2 0 345.531 3.376 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000653108176 461504435 /nfs/dbraw/zinc/50/44/35/461504435.db2.gz LSWHXTCYXSTJKA-SJLPKXTDSA-N 2 0 329.488 3.247 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653109143 461504765 /nfs/dbraw/zinc/50/47/65/461504765.db2.gz WCEYVDFUESCXCY-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3cccc(Cl)c3)CC2)CC1 ZINC000638655348 461519062 /nfs/dbraw/zinc/51/90/62/461519062.db2.gz PKSKPROIGJHQFB-UHFFFAOYSA-N 2 0 336.907 3.197 20 0 EGADRP CC1(c2nc([C@H]3CCC[NH2+]3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000647145531 461520441 /nfs/dbraw/zinc/52/04/41/461520441.db2.gz YGEARGWOKCVKDF-MRXNPFEDSA-N 2 0 326.444 3.048 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000653156306 461527103 /nfs/dbraw/zinc/52/71/03/461527103.db2.gz XIIAYRKCSZVOQP-IBGZPJMESA-N 2 0 343.515 3.289 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)c1 ZINC000647151797 461528933 /nfs/dbraw/zinc/52/89/33/461528933.db2.gz PLICPGSXWPLXSS-GOEBONIOSA-N 2 0 330.407 3.013 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659983213 461529353 /nfs/dbraw/zinc/52/93/53/461529353.db2.gz GZNLNKFLJOIMSY-GOSISDBHSA-N 2 0 347.528 3.296 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000638734774 461555250 /nfs/dbraw/zinc/55/52/50/461555250.db2.gz HSKMFAOUSVRVFV-ZFWWWQNUSA-N 2 0 336.442 3.180 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201002 461555391 /nfs/dbraw/zinc/55/53/91/461555391.db2.gz WVQBUCQXOKILIE-FXAWDEMLSA-N 2 0 345.531 3.483 20 0 EGADRP Cn1c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc2ccccc21 ZINC000638751414 461562067 /nfs/dbraw/zinc/56/20/67/461562067.db2.gz QQVZJOVHFLIQPK-NHCUHLMSSA-N 2 0 341.499 3.036 20 0 EGADRP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663345909 461574593 /nfs/dbraw/zinc/57/45/93/461574593.db2.gz OMAHELNOZDQFNR-KRWDZBQOSA-N 2 0 332.488 3.224 20 0 EGADRP CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000647243088 461584308 /nfs/dbraw/zinc/58/43/08/461584308.db2.gz DAUJPJHKACUBTN-IEBWSBKVSA-N 2 0 347.547 3.104 20 0 EGADRP CN(C(=O)CC[NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000663360686 461590310 /nfs/dbraw/zinc/59/03/10/461590310.db2.gz NWEXJRGRWXFVOG-UHFFFAOYSA-N 2 0 331.504 3.285 20 0 EGADRP [NH3+]Cc1cc(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)co1 ZINC000653253241 461591470 /nfs/dbraw/zinc/59/14/70/461591470.db2.gz MKVHWVBXJMMKEP-UHFFFAOYSA-N 2 0 345.468 3.179 20 0 EGADRP [NH3+]CC1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCCC1 ZINC000653253074 461591700 /nfs/dbraw/zinc/59/17/00/461591700.db2.gz FYXFWQALRZRJCM-UHFFFAOYSA-N 2 0 347.528 3.332 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]CCC1CCOCC1 ZINC000638833266 461606229 /nfs/dbraw/zinc/60/62/29/461606229.db2.gz XNPXIBVZBWONCU-UHFFFAOYSA-N 2 0 346.515 3.110 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000638862662 461624560 /nfs/dbraw/zinc/62/45/60/461624560.db2.gz YTIASIFKKLQBSW-IBGZPJMESA-N 2 0 341.499 3.088 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000631194749 461634777 /nfs/dbraw/zinc/63/47/77/461634777.db2.gz PBSFBPXRINPJRI-YZGWKJHDSA-N 2 0 328.500 3.446 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000666454273 461638000 /nfs/dbraw/zinc/63/80/00/461638000.db2.gz QXRYTOFRIKXQOP-QGZVFWFLSA-N 2 0 332.488 3.208 20 0 EGADRP c1ccc(CN2CCC[C@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663469210 461657976 /nfs/dbraw/zinc/65/79/76/461657976.db2.gz PBKNBLSOITWGSG-VXKWHMMOSA-N 2 0 341.543 3.363 20 0 EGADRP Cc1ccc(SC[C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639055927 461695909 /nfs/dbraw/zinc/69/59/09/461695909.db2.gz DFQFPFVQRJQDHG-MRXNPFEDSA-N 2 0 336.545 3.301 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637808449 461727181 /nfs/dbraw/zinc/72/71/81/461727181.db2.gz GMCGFWCTFHINMY-IBGZPJMESA-N 2 0 337.467 3.257 20 0 EGADRP c1ccc(COc2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2)nc1 ZINC000647482543 461730241 /nfs/dbraw/zinc/73/02/41/461730241.db2.gz NSLPIUINBCAWJL-UHFFFAOYSA-N 2 0 337.467 3.377 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1F ZINC000643453068 461731121 /nfs/dbraw/zinc/73/11/21/461731121.db2.gz FNFYXYUDDDBQOT-BGRCLHOASA-N 2 0 349.469 3.301 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462763 461734683 /nfs/dbraw/zinc/73/46/83/461734683.db2.gz GIPBVBIACLBMOE-BBRMVZONSA-N 2 0 346.425 3.056 20 0 EGADRP COCCCC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000639121440 461741555 /nfs/dbraw/zinc/74/15/55/461741555.db2.gz OYPMGAMCRZYXBD-HXUWFJFHSA-N 2 0 348.531 3.369 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1(O)CCCC1 ZINC000643493475 461745509 /nfs/dbraw/zinc/74/55/09/461745509.db2.gz HRGPYIJHNMWZHR-XLIONFOSSA-N 2 0 344.499 3.163 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643497157 461747051 /nfs/dbraw/zinc/74/70/51/461747051.db2.gz HKAXZNSOOCPHJR-ACRUOGEOSA-N 3 0 327.516 3.019 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643523075 461752144 /nfs/dbraw/zinc/75/21/44/461752144.db2.gz WANOKVHEPULZBW-ZFWWWQNUSA-N 2 0 339.277 3.395 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Br ZINC000643534092 461754666 /nfs/dbraw/zinc/75/46/66/461754666.db2.gz LLQLJSAFJSLYNE-QMTHXVAHSA-N 2 0 327.241 3.381 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643533844 461755369 /nfs/dbraw/zinc/75/53/69/461755369.db2.gz FWRCEXRRJKZKKS-CRAIPNDOSA-N 2 0 344.503 3.353 20 0 EGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Br)c(F)c1 ZINC000643537019 461756683 /nfs/dbraw/zinc/75/66/83/461756683.db2.gz YDMQNOFVGUEQCS-HZMBPMFUSA-N 2 0 327.241 3.381 20 0 EGADRP Brc1cncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543942 461758509 /nfs/dbraw/zinc/75/85/09/461758509.db2.gz URYDVXNDQDBTOL-GJZGRUSLSA-N 2 0 338.293 3.056 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543568 461759427 /nfs/dbraw/zinc/75/94/27/461759427.db2.gz PNRRBLKWXDGKAL-SJORKVTESA-N 2 0 332.488 3.224 20 0 EGADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643547862 461761676 /nfs/dbraw/zinc/76/16/76/461761676.db2.gz JWGFNQRAHHKTIQ-YOEHRIQHSA-N 2 0 329.444 3.495 20 0 EGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000653616618 461761852 /nfs/dbraw/zinc/76/18/52/461761852.db2.gz QRFBRQNLIQSLPP-LPHOPBHVSA-N 2 0 344.503 3.231 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000639177029 461783179 /nfs/dbraw/zinc/78/31/79/461783179.db2.gz OMKXUKMOJOAITR-IEBWSBKVSA-N 2 0 344.499 3.355 20 0 EGADRP CC[C@@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)C(=O)NC ZINC000639241133 461822144 /nfs/dbraw/zinc/82/21/44/461822144.db2.gz HWBBTWOHQIHYGO-NQIIRXRSSA-N 2 0 345.531 3.039 20 0 EGADRP CNC(=O)C[C@@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000639248420 461825419 /nfs/dbraw/zinc/82/54/19/461825419.db2.gz YIUGXWLGNYQEIE-DYESRHJHSA-N 2 0 345.531 3.039 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000647786197 461834399 /nfs/dbraw/zinc/83/43/99/461834399.db2.gz KCINJRSHRMVKCY-RCCFBDPRSA-N 2 0 332.488 3.004 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788584 461835899 /nfs/dbraw/zinc/83/58/99/461835899.db2.gz MNFPUBLJLHJFRG-NJDAHSKKSA-N 3 0 327.516 3.150 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789671 461835980 /nfs/dbraw/zinc/83/59/80/461835980.db2.gz JCOAENOCAPNRRW-FTWSKBIYSA-N 3 0 341.543 3.121 20 0 EGADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000647792079 461836593 /nfs/dbraw/zinc/83/65/93/461836593.db2.gz SHIYBIDONHPQKT-MGPQQGTHSA-N 2 0 341.268 3.108 20 0 EGADRP Clc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCOCC2)cc1 ZINC000647792302 461836861 /nfs/dbraw/zinc/83/68/61/461836861.db2.gz YVLDJIUMNKMNMD-JTDSTZFVSA-N 2 0 348.918 3.366 20 0 EGADRP Fc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656677155 461836835 /nfs/dbraw/zinc/83/68/35/461836835.db2.gz NOCJHUAUPMCULC-HXUWFJFHSA-N 2 0 332.463 3.294 20 0 EGADRP Clc1cccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000647791893 461836980 /nfs/dbraw/zinc/83/69/80/461836980.db2.gz PHVSUSBQQYPHCG-YNEHKIRRSA-N 2 0 329.271 3.350 20 0 EGADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647791646 461837052 /nfs/dbraw/zinc/83/70/52/461837052.db2.gz JQXPGYYTDXSGDL-UMVBOHGHSA-N 2 0 328.378 3.062 20 0 EGADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)ccc1Cl ZINC000647794328 461837966 /nfs/dbraw/zinc/83/79/66/461837966.db2.gz YGHQANFTFASHTR-BARDWOONSA-N 2 0 337.870 3.036 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NCc1cccs1 ZINC000647801997 461843644 /nfs/dbraw/zinc/84/36/44/461843644.db2.gz AGMNUVMPBWRLFC-ZOBUZTSGSA-N 2 0 337.533 3.043 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(F)c3ccccc13)CCO2 ZINC000639286837 461845831 /nfs/dbraw/zinc/84/58/31/461845831.db2.gz FODQGGPMEFSJLM-UHFFFAOYSA-N 2 0 328.431 3.276 20 0 EGADRP Brc1ccccc1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815300 461848918 /nfs/dbraw/zinc/84/89/18/461848918.db2.gz YEHBNCWUOQASAH-UHFFFAOYSA-N 2 0 339.277 3.044 20 0 EGADRP Cn1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-c2cc3ccccc3o2)n1 ZINC000666902400 461860894 /nfs/dbraw/zinc/86/08/94/461860894.db2.gz LPRRMBCWTWERIB-QGZVFWFLSA-N 2 0 338.455 3.455 20 0 EGADRP COc1ccc(OC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000647877395 461867519 /nfs/dbraw/zinc/86/75/19/461867519.db2.gz PJICCZCCYAJAAE-UHFFFAOYSA-N 2 0 332.488 3.318 20 0 EGADRP C[C@@H](c1cccs1)[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000647879541 461868096 /nfs/dbraw/zinc/86/80/96/461868096.db2.gz KUWVQNQPOYEFBY-KRWDZBQOSA-N 2 0 329.513 3.217 20 0 EGADRP C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647880916 461868797 /nfs/dbraw/zinc/86/87/97/461868797.db2.gz DHDCRUGAWOMZBG-KRWDZBQOSA-N 2 0 326.488 3.331 20 0 EGADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000647884920 461870217 /nfs/dbraw/zinc/87/02/17/461870217.db2.gz KLTCIQZNKKQFGV-SFHVURJKSA-N 2 0 349.906 3.157 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666954087 461886251 /nfs/dbraw/zinc/88/62/51/461886251.db2.gz PJRAWIYQBCDBMD-CJNGLKHVSA-N 2 0 335.879 3.097 20 0 EGADRP Cn1cc(-c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)s2)cn1 ZINC000656786177 461898523 /nfs/dbraw/zinc/89/85/23/461898523.db2.gz LVORFKQVNDQRRU-MRXNPFEDSA-N 2 0 344.528 3.360 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000650706543 461900017 /nfs/dbraw/zinc/90/00/17/461900017.db2.gz NDHBBRMYKNFGKR-XPKDYRNWSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000650707635 461902211 /nfs/dbraw/zinc/90/22/11/461902211.db2.gz JZQOMZQNYANUPK-XKQJLSEDSA-N 2 0 326.843 3.197 20 0 EGADRP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)c2O1 ZINC000650708278 461902333 /nfs/dbraw/zinc/90/23/33/461902333.db2.gz WXSAISBMZRVQGH-UHOSZYNNSA-N 2 0 344.499 3.118 20 0 EGADRP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000650709835 461903455 /nfs/dbraw/zinc/90/34/55/461903455.db2.gz SGZVLIMPGAMNEP-RXVVDRJESA-N 2 0 336.483 3.410 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995122 461903543 /nfs/dbraw/zinc/90/35/43/461903543.db2.gz DPDTYUIHRIZFOV-IAGOWNOFSA-N 2 0 332.488 3.289 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654855 461906029 /nfs/dbraw/zinc/90/60/29/461906029.db2.gz IJROGBNYFTVERJ-KSSFIOAISA-N 2 0 335.879 3.085 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717547 461909800 /nfs/dbraw/zinc/90/98/00/461909800.db2.gz DZWAMSNLBLKGGA-AWEZNQCLSA-N 2 0 343.446 3.354 20 0 EGADRP c1csc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976750 461919139 /nfs/dbraw/zinc/91/91/39/461919139.db2.gz SZVPSVATACJKMM-UONOGXRCSA-N 2 0 332.473 3.010 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644521944 461968126 /nfs/dbraw/zinc/96/81/26/461968126.db2.gz INOXYBBUMCOCTN-INIZCTEOSA-N 2 0 335.467 3.256 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000644521953 461968422 /nfs/dbraw/zinc/96/84/22/461968422.db2.gz JGTKUXBYBACODY-MRXNPFEDSA-N 2 0 335.467 3.399 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)C(C)(C)C ZINC000644569867 461989767 /nfs/dbraw/zinc/98/97/67/461989767.db2.gz HVMYUWUHMCAQRP-SJORKVTESA-N 2 0 326.912 3.199 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000644574250 461992749 /nfs/dbraw/zinc/99/27/49/461992749.db2.gz DSKMEYYZLLZCGY-ZDUSSCGKSA-N 2 0 325.884 3.235 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657312460 462038124 /nfs/dbraw/zinc/03/81/24/462038124.db2.gz JLDHLOZBKSTAQX-ZIAGYGMSSA-N 2 0 346.441 3.287 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657313805 462038235 /nfs/dbraw/zinc/03/82/35/462038235.db2.gz UFAMDLGBVGCNQL-UHFFFAOYSA-N 2 0 332.414 3.041 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000657435573 462120542 /nfs/dbraw/zinc/12/05/42/462120542.db2.gz RJIAUHGAJDBQNT-QGZVFWFLSA-N 2 0 334.504 3.312 20 0 EGADRP CCC[NH+]1CCC(N(C)Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000667534042 462131096 /nfs/dbraw/zinc/13/10/96/462131096.db2.gz KMWWDULHONBYSC-QGZVFWFLSA-N 2 0 334.504 3.407 20 0 EGADRP CCC[NH+]1CCC(N(C)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667533968 462131321 /nfs/dbraw/zinc/13/13/21/462131321.db2.gz HUZMCWAFFNQOBB-FQEVSTJZSA-N 2 0 332.488 3.161 20 0 EGADRP COc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)ccc1C ZINC000657613870 462204157 /nfs/dbraw/zinc/20/41/57/462204157.db2.gz VBPWBKCUWXJIIH-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000639984690 462204530 /nfs/dbraw/zinc/20/45/30/462204530.db2.gz XUAVMLHRPCPBEI-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000667725205 462231852 /nfs/dbraw/zinc/23/18/52/462231852.db2.gz AXGBSHNQYNCMSI-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000667732299 462236353 /nfs/dbraw/zinc/23/63/53/462236353.db2.gz FSAGWXHDPJVEBE-UHFFFAOYSA-N 2 0 340.471 3.309 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812473 462279872 /nfs/dbraw/zinc/27/98/72/462279872.db2.gz DEBSJJMXYYHARG-AVRDEDQJSA-N 2 0 341.543 3.219 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813619 462280083 /nfs/dbraw/zinc/28/00/83/462280083.db2.gz UPEYGKODCABHIZ-UHFFFAOYSA-N 2 0 325.456 3.152 20 0 EGADRP CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000648798805 462282814 /nfs/dbraw/zinc/28/28/14/462282814.db2.gz INZNPKZDXUAOHR-RBUKOAKNSA-N 2 0 332.488 3.016 20 0 EGADRP C[C@@H]1[C@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC[N@@H+]1C ZINC000648849391 462304328 /nfs/dbraw/zinc/30/43/28/462304328.db2.gz ITFDUWJULMZJRR-YLJYHZDGSA-N 2 0 343.515 3.240 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@@H+]3CCCC3(C)C)ccc21 ZINC000640222263 462319887 /nfs/dbraw/zinc/31/98/87/462319887.db2.gz LXRPZWGRCWGGLR-SFHVURJKSA-N 2 0 344.503 3.231 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC000657975776 462334842 /nfs/dbraw/zinc/33/48/42/462334842.db2.gz GAUVNXFEVDDCQM-MOPGFXCFSA-N 2 0 343.559 3.112 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658067398 462365321 /nfs/dbraw/zinc/36/53/21/462365321.db2.gz NFUHGFJFLRJKES-OAQYLSRUSA-N 2 0 328.500 3.463 20 0 EGADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071169 462367476 /nfs/dbraw/zinc/36/74/76/462367476.db2.gz VLIXQZUYUVTVKT-OAQYLSRUSA-N 2 0 343.515 3.414 20 0 EGADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000665263029 462375234 /nfs/dbraw/zinc/37/52/34/462375234.db2.gz DWDLRYAMTCRDKJ-ALGQRKQJSA-N 2 0 328.500 3.460 20 0 EGADRP C([NH+]1CC[C@@H](C2CCC2)C1)C1(C[N@@H+]2CC[C@@H](C3CCC3)C2)COC1 ZINC000665288233 462386240 /nfs/dbraw/zinc/38/62/40/462386240.db2.gz HUKNJZKUSQIGGV-WOJBJXKFSA-N 2 0 332.532 3.247 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C12CCC2 ZINC000658168865 462416550 /nfs/dbraw/zinc/41/65/50/462416550.db2.gz ZTBJYUWGFOATSC-UXHICEINSA-N 2 0 343.515 3.231 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658167818 462417064 /nfs/dbraw/zinc/41/70/64/462417064.db2.gz ULZBJEQNQYCHTB-OALUTQOASA-N 2 0 331.504 3.087 20 0 EGADRP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000652049895 462418322 /nfs/dbraw/zinc/41/83/22/462418322.db2.gz QDSGBGSBIWFLGW-IBGZPJMESA-N 2 0 343.515 3.149 20 0 EGADRP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532044 462430757 /nfs/dbraw/zinc/43/07/57/462430757.db2.gz UFXHLVRQFLAYPX-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000649288485 462467969 /nfs/dbraw/zinc/46/79/69/462467969.db2.gz VAKMXTMDRFUECQ-INIZCTEOSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649291040 462469535 /nfs/dbraw/zinc/46/95/35/462469535.db2.gz BTISREUQYOFBQH-IAGOWNOFSA-N 2 0 345.531 3.298 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000649340668 462481771 /nfs/dbraw/zinc/48/17/71/462481771.db2.gz UISCTVHCXNHVCY-NHCUHLMSSA-N 2 0 329.532 3.456 20 0 EGADRP CC1CC[NH+](CCC[C@H]([NH2+][C@H]2C[C@H](O)C2)c2ccc(F)cc2)CC1 ZINC000658349134 462486182 /nfs/dbraw/zinc/48/61/82/462486182.db2.gz UWDVPHBAYARWCF-UFYCRDLUSA-N 2 0 334.479 3.492 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1-n1ccnn1 ZINC000658352962 462486754 /nfs/dbraw/zinc/48/67/54/462486754.db2.gz IRIDWBSJOMSOSV-MRXNPFEDSA-N 2 0 339.487 3.040 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000658352665 462487416 /nfs/dbraw/zinc/48/74/16/462487416.db2.gz HPIVBJKVRHDAKY-IBGZPJMESA-N 2 0 344.499 3.403 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000154458663 533903243 /nfs/dbraw/zinc/90/32/43/533903243.db2.gz HPOJOZASKABNPU-KSSFIOAISA-N 2 0 334.485 3.073 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(OCC[NH+]3CCCC3)CC1)CC2 ZINC000177843745 534501180 /nfs/dbraw/zinc/50/11/80/534501180.db2.gz KNBOXRHVYVPZCC-FQEVSTJZSA-N 2 0 332.463 3.390 20 0 EGADRP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155122653 527782378 /nfs/dbraw/zinc/78/23/78/527782378.db2.gz LWRORWQQGKOBRS-RTBURBONSA-N 2 0 347.547 3.398 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183706193 528037915 /nfs/dbraw/zinc/03/79/15/528037915.db2.gz FBIAWVDMIWRSAL-QUCCMNQESA-N 2 0 345.462 3.257 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132980833 528490337 /nfs/dbraw/zinc/49/03/37/528490337.db2.gz IQKRHJMGNZLUKL-GHTZIAJQSA-N 2 0 348.506 3.483 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154532484 529143680 /nfs/dbraw/zinc/14/36/80/529143680.db2.gz QHZBUAXUNYNISW-LJQANCHMSA-N 2 0 335.923 3.335 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000363786145 535936022 /nfs/dbraw/zinc/93/60/22/535936022.db2.gz QBAUVZMENPGTPI-BEFAXECRSA-N 2 0 337.458 3.174 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000119796541 546708274 /nfs/dbraw/zinc/70/82/74/546708274.db2.gz IAIBZRHSJHXQKL-PXNSSMCTSA-N 2 0 346.515 3.373 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133100302 546817306 /nfs/dbraw/zinc/81/73/06/546817306.db2.gz BRPIUMZYUSLKQE-KKSFZXQISA-N 2 0 344.499 3.163 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000323826691 547471706 /nfs/dbraw/zinc/47/17/06/547471706.db2.gz GPJLWBHRPJFKKD-QGZVFWFLSA-N 2 0 329.532 3.242 20 0 EGADRP CC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339074124 547569036 /nfs/dbraw/zinc/56/90/36/547569036.db2.gz KCPHHZIOAYEMSC-HBMCJLEFSA-N 2 0 327.516 3.040 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072290 547569475 /nfs/dbraw/zinc/56/94/75/547569475.db2.gz WCEIEVVERXXTSA-RTWAWAEBSA-N 2 0 327.516 3.176 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339229434 547571382 /nfs/dbraw/zinc/57/13/82/547571382.db2.gz HSENUAHJDUETKR-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP OCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCCC1 ZINC000392579771 547832098 /nfs/dbraw/zinc/83/20/98/547832098.db2.gz YEDIGXXNKQOAMP-UHFFFAOYSA-N 2 0 330.516 3.226 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1 ZINC000414302153 547856248 /nfs/dbraw/zinc/85/62/48/547856248.db2.gz NYCJEPQVORCDJN-SIXLDLHFSA-N 2 0 330.463 3.168 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000414922069 547861444 /nfs/dbraw/zinc/86/14/44/547861444.db2.gz GGMNBRGJFWUHJU-UONOGXRCSA-N 2 0 349.276 3.199 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000671312963 548277281 /nfs/dbraw/zinc/27/72/81/548277281.db2.gz FZXSPFIERBNVFU-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](CC)CC ZINC000673657461 548591326 /nfs/dbraw/zinc/59/13/26/548591326.db2.gz HJNKELQFMPJSPI-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000675562809 548938214 /nfs/dbraw/zinc/93/82/14/548938214.db2.gz BOBJCQXJSSSUHL-FQEVSTJZSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675937224 549008076 /nfs/dbraw/zinc/00/80/76/549008076.db2.gz UAALHJXJFLLDCJ-MOXWOTFGSA-N 3 0 343.559 3.463 20 0 EGADRP CCCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000676045818 549027345 /nfs/dbraw/zinc/02/73/45/549027345.db2.gz WOLGMGHIZHBYHJ-SFTDATJTSA-N 2 0 330.516 3.497 20 0 EGADRP c1ccc2c(c1)ccnc2C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000678223829 549429740 /nfs/dbraw/zinc/42/97/40/549429740.db2.gz KUTRUVXRJAPKTA-UHFFFAOYSA-N 2 0 339.483 3.169 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000678774887 549558985 /nfs/dbraw/zinc/55/89/85/549558985.db2.gz TUTZCDUGRQVPEG-INIZCTEOSA-N 2 0 334.504 3.346 20 0 EGADRP CCCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000679750346 549771669 /nfs/dbraw/zinc/77/16/69/549771669.db2.gz BNYYWARJLZYNFA-JOCHJYFZSA-N 2 0 338.495 3.496 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000680140316 549826757 /nfs/dbraw/zinc/82/67/57/549826757.db2.gz BGMKDNQQDBJMFX-RBUKOAKNSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCCO1 ZINC000680352971 549854313 /nfs/dbraw/zinc/85/43/13/549854313.db2.gz WKCVQYFDZDXCLV-OUJGAGHGSA-N 2 0 328.500 3.444 20 0 EGADRP COc1cc(C)c([C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C ZINC000681662817 550024239 /nfs/dbraw/zinc/02/42/39/550024239.db2.gz JOWFTLVUNJEQMU-SFHVURJKSA-N 2 0 346.515 3.417 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000681972179 550056333 /nfs/dbraw/zinc/05/63/33/550056333.db2.gz UKCRLRDVJQUYDG-PMACEKPBSA-N 2 0 329.532 3.013 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000681972182 550056481 /nfs/dbraw/zinc/05/64/81/550056481.db2.gz UKCRLRDVJQUYDG-WOJBJXKFSA-N 2 0 329.532 3.013 20 0 EGADRP COc1ccc(C2([NH2+]CCC[NH+]3CCCCC3)CCOCC2)cc1 ZINC000682028680 550063108 /nfs/dbraw/zinc/06/31/08/550063108.db2.gz BHJPCSVMYDZXNR-UHFFFAOYSA-N 2 0 332.488 3.167 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000682069764 550068226 /nfs/dbraw/zinc/06/82/26/550068226.db2.gz AAVCDPJESNBXIK-KRWDZBQOSA-N 2 0 348.535 3.225 20 0 EGADRP CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1([NH+](C)C)CCC1 ZINC000682169650 550081564 /nfs/dbraw/zinc/08/15/64/550081564.db2.gz INXHRLLLWGQDAE-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682789557 550144365 /nfs/dbraw/zinc/14/43/65/550144365.db2.gz RELNTPUYPAVGLV-HXUWFJFHSA-N 2 0 334.504 3.000 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000682953598 550168531 /nfs/dbraw/zinc/16/85/31/550168531.db2.gz MSIKBVQTPOWAPZ-UHFFFAOYSA-N 2 0 342.487 3.297 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683929494 550274669 /nfs/dbraw/zinc/27/46/69/550274669.db2.gz DALFJQGPAKIDOT-FQEVSTJZSA-N 2 0 335.451 3.024 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684020232 550282486 /nfs/dbraw/zinc/28/24/86/550282486.db2.gz GNKGMKUFALMCHP-HDICACEKSA-N 2 0 340.515 3.158 20 0 EGADRP CCC[C@H](C)[N@@H+]1Cc2ccc(NC(=S)NCC[NH+](C)C)cc2C1 ZINC000726496078 574559912 /nfs/dbraw/zinc/55/99/12/574559912.db2.gz SWVBHEFAQGKVOL-AWEZNQCLSA-N 2 0 334.533 3.039 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729337599 574843660 /nfs/dbraw/zinc/84/36/60/574843660.db2.gz IIICSBZPQQYNLP-HDICACEKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CCCC[NH+]1CCCC1)c1ccccc1 ZINC000731629335 575193872 /nfs/dbraw/zinc/19/38/72/575193872.db2.gz DHZXCLOYXABBGE-SFHVURJKSA-N 2 0 345.531 3.498 20 0 EGADRP CN(C)c1ccc(N2CCC(Nc3ncnc4[nH]ccc43)CC2)cc1 ZINC000742417309 576781990 /nfs/dbraw/zinc/78/19/90/576781990.db2.gz MBWLWDSYLVHBKT-UHFFFAOYSA-N 2 0 336.443 3.105 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C[C@H](CC(C)C)CC2=O)CC1 ZINC000744434338 576828169 /nfs/dbraw/zinc/82/81/69/576828169.db2.gz LXJAKLZDRDXDDG-LJQANCHMSA-N 2 0 337.552 3.282 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397914143 1297706387 /nfs/dbraw/zinc/70/63/87/1297706387.db2.gz CPTUYYPWRMSVBQ-JKSUJKDBSA-N 2 0 339.524 3.141 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000044132810 1291475583 /nfs/dbraw/zinc/47/55/83/1291475583.db2.gz IIABKWALDNSHBL-GOSISDBHSA-N 2 0 346.544 3.053 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000067188309 1292152170 /nfs/dbraw/zinc/15/21/70/1292152170.db2.gz IFXOQAPMQHWXNW-GOSISDBHSA-N 2 0 345.531 3.124 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000072923598 1292298872 /nfs/dbraw/zinc/29/88/72/1292298872.db2.gz MQCMWQJDICLAQP-HXUWFJFHSA-N 2 0 346.446 3.243 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000827863214 1292389855 /nfs/dbraw/zinc/38/98/55/1292389855.db2.gz DUYGIMIOHNGKBG-UHFFFAOYSA-N 2 0 341.499 3.064 20 0 EGADRP CCc1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000076400276 1292428494 /nfs/dbraw/zinc/42/84/94/1292428494.db2.gz PKLGKRFQBSPPQG-UHFFFAOYSA-N 2 0 337.511 3.286 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000079461619 1292560420 /nfs/dbraw/zinc/56/04/20/1292560420.db2.gz DTWSZUZNVSAUGJ-QAPCUYQASA-N 2 0 335.467 3.125 20 0 EGADRP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000081790717 1292673531 /nfs/dbraw/zinc/67/35/31/1292673531.db2.gz MLRZPWSOCDONLB-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000090079259 1292786371 /nfs/dbraw/zinc/78/63/71/1292786371.db2.gz ICHTXHMDBNJGLK-XHDPSFHLSA-N 2 0 331.287 3.347 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000090117579 1292789249 /nfs/dbraw/zinc/78/92/49/1292789249.db2.gz VALLOKWRGMCGTA-OAHLLOKOSA-N 2 0 341.430 3.489 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000105442203 1293037526 /nfs/dbraw/zinc/03/75/26/1293037526.db2.gz QVYXNHBLVROWAZ-OAHLLOKOSA-N 2 0 343.437 3.069 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)N1CC[NH+](C)CC1 ZINC000105466886 1293039818 /nfs/dbraw/zinc/03/98/18/1293039818.db2.gz PDZCUWPGFDXHPV-MRXNPFEDSA-N 2 0 329.513 3.141 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(F)c3F)cc2)CC1 ZINC000107713086 1293071947 /nfs/dbraw/zinc/07/19/47/1293071947.db2.gz PPVFPHGJCMWKAP-UHFFFAOYSA-N 2 0 346.421 3.211 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000834548625 1293116319 /nfs/dbraw/zinc/11/63/19/1293116319.db2.gz PTTGLMLPYJHVKM-KRWDZBQOSA-N 2 0 338.536 3.205 20 0 EGADRP CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)OCCO1 ZINC000834765038 1293143911 /nfs/dbraw/zinc/14/39/11/1293143911.db2.gz JKBUJSKOXLGIGB-XUVXKRRUSA-N 2 0 344.499 3.172 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1nc(Br)cs1 ZINC000834787459 1293149054 /nfs/dbraw/zinc/14/90/54/1293149054.db2.gz LJDJHKOSTOWYAH-SNVBAGLBSA-N 2 0 344.322 3.431 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000119886904 1293292357 /nfs/dbraw/zinc/29/23/57/1293292357.db2.gz NLGMHAHLYSQRPA-LJQANCHMSA-N 2 0 337.939 3.318 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000128251337 1293587487 /nfs/dbraw/zinc/58/74/87/1293587487.db2.gz BVDIFBBHRPMBFF-LZBANZJXSA-N 2 0 336.479 3.289 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000130236245 1293649936 /nfs/dbraw/zinc/64/99/36/1293649936.db2.gz PPBPJDSKKBEHBN-XIRDDKMYSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCC(C)(C)C2)c1 ZINC000136027107 1293807839 /nfs/dbraw/zinc/80/78/39/1293807839.db2.gz RBHRLPBUMABNJB-SFHVURJKSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1cc(C)c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C)c1 ZINC000136217445 1293812818 /nfs/dbraw/zinc/81/28/18/1293812818.db2.gz ATAMKEXUJMYXBG-UHFFFAOYSA-N 2 0 327.472 3.237 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)c1 ZINC000154488251 1294057757 /nfs/dbraw/zinc/05/77/57/1294057757.db2.gz DASBCRHNJOZUBF-SFHVURJKSA-N 2 0 333.520 3.154 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000163901081 1294340438 /nfs/dbraw/zinc/34/04/38/1294340438.db2.gz GVVZRWHMCXLCCN-USXIJHARSA-N 2 0 339.524 3.142 20 0 EGADRP CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183136471 1295101933 /nfs/dbraw/zinc/10/19/33/1295101933.db2.gz SZCMNPZYESOGGR-LPHOPBHVSA-N 2 0 334.504 3.493 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)ccc1O ZINC000184899499 1295226072 /nfs/dbraw/zinc/22/60/72/1295226072.db2.gz RMUDQDJSGZKELS-LBPRGKRZSA-N 2 0 327.266 3.291 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)CC[NH2+]CC3CC3)cc2)CC1 ZINC000870866845 1296121653 /nfs/dbraw/zinc/12/16/53/1296121653.db2.gz QEUMYKIMWGATRO-UHFFFAOYSA-N 2 0 329.488 3.247 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000247142683 1296383598 /nfs/dbraw/zinc/38/35/98/1296383598.db2.gz WJISPYOAVHSTSL-QKLQHJQFSA-N 2 0 346.515 3.409 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000871912922 1296607015 /nfs/dbraw/zinc/60/70/15/1296607015.db2.gz ZTEFPCJGWQDORN-FQEVSTJZSA-N 2 0 343.515 3.106 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1F ZINC000304692366 1296935590 /nfs/dbraw/zinc/93/55/90/1296935590.db2.gz DFWNPLGLOLNWSK-UHFFFAOYSA-N 2 0 342.458 3.381 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000305241356 1297006094 /nfs/dbraw/zinc/00/60/94/1297006094.db2.gz ROMXIWTZMPFKOZ-FMEUAVTJSA-N 2 0 332.463 3.196 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000310047164 1297082875 /nfs/dbraw/zinc/08/28/75/1297082875.db2.gz NURYCXVDUJSZMX-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000310053359 1297086484 /nfs/dbraw/zinc/08/64/84/1297086484.db2.gz NXISXXJWCBYRKX-WBVHZDCISA-N 2 0 339.524 3.049 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000320921638 1297174069 /nfs/dbraw/zinc/17/40/69/1297174069.db2.gz QOJDCAHNWOXVBK-CZUORRHYSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000325389846 1297224684 /nfs/dbraw/zinc/22/46/84/1297224684.db2.gz ZLXPBTUESSNGLG-WMZOPIPTSA-N 2 0 329.488 3.247 20 0 EGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000325872535 1297230406 /nfs/dbraw/zinc/23/04/06/1297230406.db2.gz LLWMXCYWLQEXCQ-JLYLLQBASA-N 2 0 327.472 3.142 20 0 EGADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000326806539 1297241103 /nfs/dbraw/zinc/24/11/03/1297241103.db2.gz CKGFDNKBBRCMTE-JOZSIVFUSA-N 2 0 328.500 3.412 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340239752 1297310553 /nfs/dbraw/zinc/31/05/53/1297310553.db2.gz DGGNRCXJAQHHSH-QYZOEREBSA-N 2 0 333.524 3.254 20 0 EGADRP C[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccccc2)O1 ZINC000873204003 1297350776 /nfs/dbraw/zinc/35/07/76/1297350776.db2.gz VZCKMPDJXKATET-RDTXWAMCSA-N 2 0 328.481 3.356 20 0 EGADRP CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213137 1297355211 /nfs/dbraw/zinc/35/52/11/1297355211.db2.gz XSPCBKNLNVFYSZ-KRWDZBQOSA-N 2 0 327.497 3.105 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873211351 1297355981 /nfs/dbraw/zinc/35/59/81/1297355981.db2.gz LSAOJUZKQJPZEJ-UHFFFAOYSA-N 3 0 335.561 3.242 20 0 EGADRP CCn1nc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)c2ccccc21 ZINC000873232841 1297374637 /nfs/dbraw/zinc/37/46/37/1297374637.db2.gz OGJOGZBDMYJMMT-LJQANCHMSA-N 2 0 326.488 3.458 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000873258145 1297392845 /nfs/dbraw/zinc/39/28/45/1297392845.db2.gz XGGSCRBENXRIQD-PJCOJXEDSA-N 2 0 329.669 3.417 20 0 EGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873255135 1297393228 /nfs/dbraw/zinc/39/32/28/1297393228.db2.gz DMAJRVTXBYLYKF-QSFXBCCZSA-N 2 0 328.431 3.445 20 0 EGADRP Fc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291089 1297412686 /nfs/dbraw/zinc/41/26/86/1297412686.db2.gz UFEKRBUMRAUAMO-XJKSGUPXSA-N 2 0 336.476 3.111 20 0 EGADRP C[C@H](NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873292288 1297414643 /nfs/dbraw/zinc/41/46/43/1297414643.db2.gz AGGYDAZVGWZXKB-OFAXGOBFSA-N 2 0 349.522 3.201 20 0 EGADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873293081 1297415832 /nfs/dbraw/zinc/41/58/32/1297415832.db2.gz XLOLSDLJXCXYNN-XUVXKRRUSA-N 2 0 328.500 3.146 20 0 EGADRP C[C@@H](CCNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000379664708 1297539163 /nfs/dbraw/zinc/53/91/63/1297539163.db2.gz QAJYWRGNYMQOBB-FXAWDEMLSA-N 2 0 345.531 3.311 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000382501168 1297560231 /nfs/dbraw/zinc/56/02/31/1297560231.db2.gz PPBPJDSKKBEHBN-USXIJHARSA-N 2 0 339.524 3.142 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000382877001 1297564968 /nfs/dbraw/zinc/56/49/68/1297564968.db2.gz VVTQBWJJKLBOKI-MRXNPFEDSA-N 2 0 341.540 3.247 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[NH+](CCC4OCCO4)CC3)CC2)cc1 ZINC000686606024 1298117371 /nfs/dbraw/zinc/11/73/71/1298117371.db2.gz DIONROMCPHKZOF-UHFFFAOYSA-N 2 0 344.499 3.128 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000693861139 1298152849 /nfs/dbraw/zinc/15/28/49/1298152849.db2.gz HSOQHVSNTCHSFL-ZACQAIPSSA-N 2 0 339.524 3.144 20 0 EGADRP COc1cncc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000700062433 1298175002 /nfs/dbraw/zinc/17/50/02/1298175002.db2.gz ZBNSODSVXHWPFR-HXUWFJFHSA-N 2 0 325.456 3.092 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000700799539 1298179637 /nfs/dbraw/zinc/17/96/37/1298179637.db2.gz ITCAGAQIHUPHFD-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000707529338 1298229658 /nfs/dbraw/zinc/22/96/58/1298229658.db2.gz TVPGYOFJVXAXJH-IBGZPJMESA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000713067665 1298267631 /nfs/dbraw/zinc/26/76/31/1298267631.db2.gz LUEUUMIUEKDHRV-MOPGFXCFSA-N 2 0 345.531 3.167 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000724026818 1298342519 /nfs/dbraw/zinc/34/25/19/1298342519.db2.gz HQSWXQGHZWCBBB-DLBZAZTESA-N 2 0 339.524 3.145 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724031145 1298345728 /nfs/dbraw/zinc/34/57/28/1298345728.db2.gz WVUIJMZKRCPCKZ-IAGOWNOFSA-N 2 0 339.524 3.001 20 0 EGADRP Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000725787033 1298359617 /nfs/dbraw/zinc/35/96/17/1298359617.db2.gz CMHZYUMDMVYKET-QGZVFWFLSA-N 2 0 325.456 3.020 20 0 EGADRP C[C@H](C(=O)NCCCCCCC[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000746884161 1298680591 /nfs/dbraw/zinc/68/05/91/1298680591.db2.gz DSTISHKPEUPERP-CEXWTWQISA-N 2 0 337.552 3.410 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@]12CCCO2 ZINC000877076995 1299147820 /nfs/dbraw/zinc/14/78/20/1299147820.db2.gz SXQZVAGCVMCDOU-GNWGEKMJSA-N 2 0 336.520 3.100 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000877136976 1299176009 /nfs/dbraw/zinc/17/60/09/1299176009.db2.gz QDSWYBFNPYAORP-HLAWJBBLSA-N 2 0 349.478 3.352 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000877201972 1299205077 /nfs/dbraw/zinc/20/50/77/1299205077.db2.gz UWWPLKXNUPSXBZ-PXNSSMCTSA-N 2 0 345.531 3.024 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC3(CC[NH+](C)CC3)CC2)o1 ZINC000877684821 1299477614 /nfs/dbraw/zinc/47/76/14/1299477614.db2.gz ZRSWHQXZTCWZPS-UHFFFAOYSA-N 2 0 342.487 3.296 20 0 EGADRP Cn1cc(CCC[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000877697445 1299489863 /nfs/dbraw/zinc/48/98/63/1299489863.db2.gz MVSBMJBYZVVTRG-UHFFFAOYSA-N 2 0 340.515 3.245 20 0 EGADRP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000878126188 1299763795 /nfs/dbraw/zinc/76/37/95/1299763795.db2.gz UKUOWFIBVVSTET-MJGOQNOKSA-N 2 0 331.504 3.010 20 0 EGADRP CCC(CC)(CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000763049603 1301811871 /nfs/dbraw/zinc/81/18/71/1301811871.db2.gz RRVDZAQDPLIOHE-KRWDZBQOSA-N 2 0 345.531 3.497 20 0 EGADRP c1ccc(CCN2CCC([NH2+]C[C@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000883356044 1302409383 /nfs/dbraw/zinc/40/93/83/1302409383.db2.gz DDLCLDOXYXKZPV-HXUWFJFHSA-N 2 0 328.500 3.385 20 0 EGADRP C[C@H]1C(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000766381255 1302441940 /nfs/dbraw/zinc/44/19/40/1302441940.db2.gz JWVMYYLQOCDGBV-YLJYHZDGSA-N 2 0 343.515 3.217 20 0 EGADRP FC(F)C1CC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000768709410 1302964767 /nfs/dbraw/zinc/96/47/67/1302964767.db2.gz POESBUHUPUHAKV-UHFFFAOYSA-N 2 0 338.442 3.337 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769681254 1303157250 /nfs/dbraw/zinc/15/72/50/1303157250.db2.gz NZHMCNHXYOTTNS-HZPDHXFCSA-N 2 0 327.513 3.144 20 0 EGADRP CC(C)[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(=O)N1CCCC1 ZINC000886547813 1303495835 /nfs/dbraw/zinc/49/58/35/1303495835.db2.gz RUDNQZQAXLUYBY-FDYSRKEFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCC(C)([NH+]4CCCC4)CC3)[C@H]2C1 ZINC000886610360 1303522030 /nfs/dbraw/zinc/52/20/30/1303522030.db2.gz ABJQIZXWJXSFBF-LTAWYNSDSA-N 2 0 347.547 3.020 20 0 EGADRP Cn1cc(C(F)F)c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886648595 1303538968 /nfs/dbraw/zinc/53/89/68/1303538968.db2.gz YQFJFQSDKLRVIH-UHFFFAOYSA-N 2 0 326.435 3.244 20 0 EGADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000886717614 1303579163 /nfs/dbraw/zinc/57/91/63/1303579163.db2.gz DXIHYDXYTCVLLH-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)CC(C)C ZINC000773981934 1303760327 /nfs/dbraw/zinc/76/03/27/1303760327.db2.gz OBRDFBNCVOWIHB-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)CO)cc1C[NH+]1CCCCC1 ZINC000775416224 1303961851 /nfs/dbraw/zinc/96/18/51/1303961851.db2.gz XBRYSANZPVYPFV-INIZCTEOSA-N 2 0 334.504 3.350 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]CC3(C)CC[NH+](C)CC3)CC2)cc1 ZINC000780745335 1304733496 /nfs/dbraw/zinc/73/34/96/1304733496.db2.gz IKNNJVUQQOFXLZ-UHFFFAOYSA-N 2 0 344.547 3.043 20 0 EGADRP CCOCOc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000782949902 1305027352 /nfs/dbraw/zinc/02/73/52/1305027352.db2.gz ITTRVAARQIWQHB-UHFFFAOYSA-N 2 0 328.456 3.411 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000892580135 1305451697 /nfs/dbraw/zinc/45/16/97/1305451697.db2.gz HBPAVGTWGNXNDD-QZTJIDSGSA-N 2 0 334.504 3.060 20 0 EGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786783199 1305628907 /nfs/dbraw/zinc/62/89/07/1305628907.db2.gz LELJQRSFDPDCJV-CQSZACIVSA-N 2 0 344.503 3.176 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786783643 1305628970 /nfs/dbraw/zinc/62/89/70/1305628970.db2.gz NBLDWOYLLQTXON-IRXDYDNUSA-N 2 0 344.503 3.131 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000893086388 1305698853 /nfs/dbraw/zinc/69/88/53/1305698853.db2.gz OZMWZJZVMPCZHN-ZBEGNZNMSA-N 2 0 331.287 3.347 20 0 EGADRP Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n(-c2ccccc2)n1 ZINC000893204736 1305760846 /nfs/dbraw/zinc/76/08/46/1305760846.db2.gz DGTTWKRIQFWGST-XIHRNRATSA-N 2 0 338.499 3.327 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000788467986 1305949622 /nfs/dbraw/zinc/94/96/22/1305949622.db2.gz CLEAVPCSDCMTLT-UHFFFAOYSA-N 2 0 335.923 3.190 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(C)cc2c1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000894253643 1306304570 /nfs/dbraw/zinc/30/45/70/1306304570.db2.gz FWYGXBVWMMCLKU-HNNXBMFYSA-N 2 0 343.471 3.084 20 0 EGADRP CC[N@H+](Cc1cnn(C)c1C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894456197 1308899552 /nfs/dbraw/zinc/89/95/52/1308899552.db2.gz NQKCQUHZYRZXQO-UHFFFAOYSA-N 2 0 326.488 3.381 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)c(Cl)c1 ZINC000895297180 1309275126 /nfs/dbraw/zinc/27/51/26/1309275126.db2.gz VBUDFLOLTOTRRR-UONOGXRCSA-N 2 0 325.884 3.295 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n(C)n1 ZINC000793529800 1309396470 /nfs/dbraw/zinc/39/64/70/1309396470.db2.gz VKIFDTRITFLCGH-HNNXBMFYSA-N 2 0 332.517 3.353 20 0 EGADRP CC(C)(C)[C@]1(C[NH2+][C@H]2C[C@H](CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000897355204 1310304901 /nfs/dbraw/zinc/30/49/01/1310304901.db2.gz IOFOBUPFUMJYQL-ZJOUEHCJSA-N 2 0 330.516 3.285 20 0 EGADRP CSc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000897863949 1310497782 /nfs/dbraw/zinc/49/77/82/1310497782.db2.gz JESRGUQZJJSXKR-IRXDYDNUSA-N 2 0 349.544 3.000 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CCO)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898170884 1310612867 /nfs/dbraw/zinc/61/28/67/1310612867.db2.gz NHMYCJCVRYVHDA-AVRDEDQJSA-N 2 0 338.495 3.222 20 0 EGADRP c1cc(-c2noc(CC[C@H]3CCC[NH2+]C3)n2)ccc1C[NH+]1CCCC1 ZINC000857255274 1328525466 /nfs/dbraw/zinc/52/54/66/1328525466.db2.gz SJFGMPFYRALQNG-MRXNPFEDSA-N 2 0 340.471 3.265 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001018962598 1316987970 /nfs/dbraw/zinc/98/79/70/1316987970.db2.gz GUHFGAQYSFOMMO-MSOLQXFVSA-N 2 0 343.515 3.039 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC001018971582 1316991071 /nfs/dbraw/zinc/99/10/71/1316991071.db2.gz IJEPYLOPICLKAG-YOEHRIQHSA-N 2 0 349.906 3.076 20 0 EGADRP [NH3+]C[C@@H](CO)Cc1cc(-c2ccccc2C[NH+]2CCCC2)ccc1F ZINC000899324939 1316992565 /nfs/dbraw/zinc/99/25/65/1316992565.db2.gz SFILPDMSILCAEX-INIZCTEOSA-N 2 0 342.458 3.198 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CC3CCCCCC3)CC2)CC1 ZINC000957032133 1317139564 /nfs/dbraw/zinc/13/95/64/1317139564.db2.gz XBHCAUXKUGRVEH-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCC2CCCC2)C1 ZINC000957278855 1317256359 /nfs/dbraw/zinc/25/63/59/1317256359.db2.gz QJWARWCGSMNYPR-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000957286971 1317261786 /nfs/dbraw/zinc/26/17/86/1317261786.db2.gz PWZITVGAONHNBZ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019632454 1317310343 /nfs/dbraw/zinc/31/03/43/1317310343.db2.gz NICMBKTWOJKQKG-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019632506 1317311376 /nfs/dbraw/zinc/31/13/76/1317311376.db2.gz PEEYFLWOKKORIU-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568307 1317465698 /nfs/dbraw/zinc/46/56/98/1317465698.db2.gz HJDXESPKZYZOPK-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCC3(CC2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC000957644906 1317516402 /nfs/dbraw/zinc/51/64/02/1317516402.db2.gz NQUDBVJGPGCFGF-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001020144081 1317559295 /nfs/dbraw/zinc/55/92/95/1317559295.db2.gz PUYJDZGAIZMPFA-FRYIKTPZSA-N 2 0 343.515 3.166 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000902332285 1317564765 /nfs/dbraw/zinc/56/47/65/1317564765.db2.gz FBFTWKUKGMYBJK-VQTJNVASSA-N 2 0 329.532 3.266 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001020240039 1317605165 /nfs/dbraw/zinc/60/51/65/1317605165.db2.gz SIPOPPUMBHMPFV-QWFCFKBJSA-N 2 0 347.547 3.211 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+](CC)CC3CC3)CC2)C1 ZINC000957744833 1317611211 /nfs/dbraw/zinc/61/12/11/1317611211.db2.gz QKEQQLWHZUQKLH-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](CCC3CCCC3)CC2)c1 ZINC000957767662 1317631383 /nfs/dbraw/zinc/63/13/83/1317631383.db2.gz FBJWIIYJZPPLTM-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2CC(C)(C)CC2=O)CC1)CC(C)C ZINC000808176526 1317641070 /nfs/dbraw/zinc/64/10/70/1317641070.db2.gz HKDQJKKKWSPKKG-UHFFFAOYSA-N 2 0 337.552 3.282 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000957777951 1317641710 /nfs/dbraw/zinc/64/17/10/1317641710.db2.gz FLHAVQRUAHXLDI-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076880 1317647505 /nfs/dbraw/zinc/64/75/05/1317647505.db2.gz VLPLCAORRCWEJJ-SEJJLSGZSA-N 2 0 333.564 3.490 20 0 EGADRP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+](C)Cc1ccccc1 ZINC000903092841 1317652314 /nfs/dbraw/zinc/65/23/14/1317652314.db2.gz NGXIUAVIXHEHTF-UPRUFMODSA-N 2 0 327.516 3.254 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCc3ccccc3CC1)C2 ZINC000903116565 1317655478 /nfs/dbraw/zinc/65/54/78/1317655478.db2.gz RXRLENJNTXBZIA-CZYKHXBRSA-N 2 0 342.527 3.003 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000903119993 1317656847 /nfs/dbraw/zinc/65/68/47/1317656847.db2.gz UYHVOCHQXLNWAU-IWUPYOBGSA-N 2 0 346.515 3.216 20 0 EGADRP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)OCCc2sccc21 ZINC000903171234 1317667096 /nfs/dbraw/zinc/66/70/96/1317667096.db2.gz FTCWLZMOEPVSTL-RFXRPKLXSA-N 2 0 332.513 3.283 20 0 EGADRP c1cncc([C@@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)c1 ZINC000903185287 1317669033 /nfs/dbraw/zinc/66/90/33/1317669033.db2.gz CUIGKLNSHXHNHE-DSLRARGZSA-N 2 0 327.472 3.049 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2cc(N(C)C)cc[nH+]2)CC1 ZINC000903201220 1317673465 /nfs/dbraw/zinc/67/34/65/1317673465.db2.gz GJIRJHKTOZTLOZ-OXJNMPFZSA-N 2 0 330.520 3.280 20 0 EGADRP c1ccc(CC2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903717829 1317724946 /nfs/dbraw/zinc/72/49/46/1317724946.db2.gz XHUVKSSXBMFIAC-FQEVSTJZSA-N 2 0 328.500 3.100 20 0 EGADRP c1ccc(C[C@H]2CCCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903727634 1317725555 /nfs/dbraw/zinc/72/55/55/1317725555.db2.gz WIRFHOCMAWMYSO-WOJBJXKFSA-N 2 0 328.500 3.242 20 0 EGADRP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903728716 1317726146 /nfs/dbraw/zinc/72/61/46/1317726146.db2.gz FIBXDCKUAJRIOX-DNVCBOLYSA-N 2 0 336.907 3.475 20 0 EGADRP COc1cccc(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903725792 1317726277 /nfs/dbraw/zinc/72/62/77/1317726277.db2.gz HRAGATGZPHEFDQ-HXUWFJFHSA-N 2 0 344.499 3.033 20 0 EGADRP Fc1ccccc1C[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766818 1317730625 /nfs/dbraw/zinc/73/06/25/1317730625.db2.gz BQOBDXHVMKITKX-RBUKOAKNSA-N 2 0 346.490 3.381 20 0 EGADRP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756818 1317731300 /nfs/dbraw/zinc/73/13/00/1317731300.db2.gz WEUIJQZJEZQRAJ-ZDWTUXFCSA-N 2 0 344.499 3.237 20 0 EGADRP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770725 1317732458 /nfs/dbraw/zinc/73/24/58/1317732458.db2.gz YYRJMJBATBJKLX-CMKODMSKSA-N 2 0 332.463 3.162 20 0 EGADRP [NH3+]CC1([C@@H]2CCCCN2Cc2nc(-c3ccccc3)no2)CCC1 ZINC000903812898 1317736112 /nfs/dbraw/zinc/73/61/12/1317736112.db2.gz ADIKSNLWAZVBKZ-INIZCTEOSA-N 2 0 326.444 3.220 20 0 EGADRP Cn1cc(-c2nc(CN3CCCC[C@@H]3C3(C[NH3+])CCC3)cs2)cn1 ZINC000903811038 1317736374 /nfs/dbraw/zinc/73/63/74/1317736374.db2.gz JAIFEOQJPGKXMZ-MRXNPFEDSA-N 2 0 345.516 3.027 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000903793987 1317736771 /nfs/dbraw/zinc/73/67/71/1317736771.db2.gz MFCDZNJEPYZVGA-UHFFFAOYSA-N 2 0 346.478 3.365 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020519576 1317739442 /nfs/dbraw/zinc/73/94/42/1317739442.db2.gz MXGORJQZQJDGEG-IYARVYRRSA-N 2 0 347.503 3.162 20 0 EGADRP CCC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCc2ccccc21 ZINC000903883949 1317740767 /nfs/dbraw/zinc/74/07/67/1317740767.db2.gz MVWCQPNVRJFFRV-LAUBAEHRSA-N 2 0 340.515 3.245 20 0 EGADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892035 1317743325 /nfs/dbraw/zinc/74/33/25/1317743325.db2.gz PBRHISCBBXHVQL-UNPWZGGWSA-N 2 0 349.469 3.174 20 0 EGADRP Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1C ZINC000903894914 1317743760 /nfs/dbraw/zinc/74/37/60/1317743760.db2.gz HLGHOMDKZXYRGL-YLJYHZDGSA-N 2 0 339.487 3.157 20 0 EGADRP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894809 1317744051 /nfs/dbraw/zinc/74/40/51/1317744051.db2.gz FEFHFLTWIKLGKI-AYHJJNSGSA-N 2 0 329.488 3.094 20 0 EGADRP Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903899152 1317744692 /nfs/dbraw/zinc/74/46/92/1317744692.db2.gz SVBSPIYFUICJBS-YLJYHZDGSA-N 2 0 339.487 3.157 20 0 EGADRP CCCCn1nc(C)c(CNC[C@H]2CCCC[N@H+](C)C2)c1Cl ZINC000858245940 1328720579 /nfs/dbraw/zinc/72/05/79/1328720579.db2.gz ZADPGACAONNSTL-OAHLLOKOSA-N 2 0 326.916 3.467 20 0 EGADRP C[N@@H+]1CCCC[C@H](CNCc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000858245071 1328720974 /nfs/dbraw/zinc/72/09/74/1328720974.db2.gz BURJFRZITPDTDV-MRXNPFEDSA-N 2 0 348.491 3.250 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)c1ccccc1Cl ZINC001020586726 1317792319 /nfs/dbraw/zinc/79/23/19/1317792319.db2.gz XFDWZCNGBFLXON-VGWMRTNUSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000904360700 1317836532 /nfs/dbraw/zinc/83/65/32/1317836532.db2.gz OJSQMDLZQKVTNX-OAHLLOKOSA-N 2 0 349.494 3.174 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000809616060 1317844917 /nfs/dbraw/zinc/84/49/17/1317844917.db2.gz HZTAKKOBOBJFMU-UHFFFAOYSA-N 2 0 347.503 3.284 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc2ccccc2c1 ZINC000809738328 1317884672 /nfs/dbraw/zinc/88/46/72/1317884672.db2.gz URXZRWDDENCIAP-HXUWFJFHSA-N 2 0 340.515 3.083 20 0 EGADRP CC(=O)Nc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738949 1317884777 /nfs/dbraw/zinc/88/47/77/1317884777.db2.gz QQHQYTMFJCBTLN-UHFFFAOYSA-N 2 0 325.456 3.339 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2CCC3(CC2)OCCO3)cc1 ZINC000809738654 1317884825 /nfs/dbraw/zinc/88/48/25/1317884825.db2.gz DEHGLJZLMYZHDU-UHFFFAOYSA-N 2 0 332.488 3.113 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020909841 1317994243 /nfs/dbraw/zinc/99/42/43/1317994243.db2.gz RRMOOANFYWXVBQ-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001020910436 1317994656 /nfs/dbraw/zinc/99/46/56/1317994656.db2.gz WXQDSKNRESLVFM-KZNAEPCWSA-N 2 0 349.544 3.140 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020927653 1318000777 /nfs/dbraw/zinc/00/07/77/1318000777.db2.gz NPAKPOFWZYTJPX-MUGJNUQGSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000858345706 1328741928 /nfs/dbraw/zinc/74/19/28/1328741928.db2.gz SJPITDAGHSXJHK-IRXDYDNUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001021380360 1318222383 /nfs/dbraw/zinc/22/23/83/1318222383.db2.gz BUSYVORMZLTOGR-OHSMVPPVSA-N 2 0 345.531 3.083 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021380633 1318223920 /nfs/dbraw/zinc/22/39/20/1318223920.db2.gz NWJNVNCQHIDLMB-CSNJMZFVSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC000908504536 1318356873 /nfs/dbraw/zinc/35/68/73/1318356873.db2.gz DBJIPGVMKBGLJU-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000960310739 1318453923 /nfs/dbraw/zinc/45/39/23/1318453923.db2.gz NOSTXOYOGIATQM-NSISKUIASA-N 2 0 343.515 3.031 20 0 EGADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000909605428 1318500397 /nfs/dbraw/zinc/50/03/97/1318500397.db2.gz FMXWVLJAYUHDSK-LJQANCHMSA-N 2 0 329.488 3.402 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691379 1318566681 /nfs/dbraw/zinc/56/66/81/1318566681.db2.gz OWGRJICDVZMDNS-WOJBJXKFSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022068970 1318787253 /nfs/dbraw/zinc/78/72/53/1318787253.db2.gz DXEJZOFXVPRVCL-OTWHNJEPSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960679219 1318789154 /nfs/dbraw/zinc/78/91/54/1318789154.db2.gz CERVBQSGGQCNTK-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960688237 1318794576 /nfs/dbraw/zinc/79/45/76/1318794576.db2.gz FNMOGOSGJWHTGQ-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC000960694042 1318797391 /nfs/dbraw/zinc/79/73/91/1318797391.db2.gz WCVQXAXPKDFUHL-MJGOQNOKSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022350679 1318902625 /nfs/dbraw/zinc/90/26/25/1318902625.db2.gz NKLKQTCYSNLRMX-HSALFYBXSA-N 2 0 347.547 3.234 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001022434656 1318940729 /nfs/dbraw/zinc/94/07/29/1318940729.db2.gz LGKSZDLETZKCEJ-NSHGMRRFSA-N 2 0 348.450 3.336 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C)cc(C)n2)CC1 ZINC000930146624 1328798492 /nfs/dbraw/zinc/79/84/92/1328798492.db2.gz VSEVGOVDDUQLMD-UHFFFAOYSA-N 2 0 333.520 3.269 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001022534617 1318979456 /nfs/dbraw/zinc/97/94/56/1318979456.db2.gz YUOUDQGPLKCWCU-HDICACEKSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022585004 1319004545 /nfs/dbraw/zinc/00/45/45/1319004545.db2.gz INXQJHJYFMCZJX-SLFFLAALSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000961027754 1319150432 /nfs/dbraw/zinc/15/04/32/1319150432.db2.gz OVFOJXGZUAUQOO-IBGZPJMESA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000816451946 1319160399 /nfs/dbraw/zinc/16/03/99/1319160399.db2.gz UFEKRERXWOOXFM-JXFKEZNVSA-N 2 0 349.434 3.402 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000961192516 1319307355 /nfs/dbraw/zinc/30/73/55/1319307355.db2.gz ZOHLDKGRUVUHDB-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253641 1319400074 /nfs/dbraw/zinc/40/00/74/1319400074.db2.gz RFLGWBONFPCNMG-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290981 1319450682 /nfs/dbraw/zinc/45/06/82/1319450682.db2.gz FJNKHDAMSZDJEE-WOJBJXKFSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000817880460 1319451336 /nfs/dbraw/zinc/45/13/36/1319451336.db2.gz VJAOSYVLTQJDNW-RVKKMQEKSA-N 2 0 325.456 3.084 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817894707 1319453100 /nfs/dbraw/zinc/45/31/00/1319453100.db2.gz NCVPKLFRVPBHJQ-IYWMVGAKSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)OCCCO2 ZINC000817947928 1319473134 /nfs/dbraw/zinc/47/31/34/1319473134.db2.gz GLTJJLCQNCWGEY-HNNXBMFYSA-N 2 0 326.440 3.200 20 0 EGADRP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817953348 1319474519 /nfs/dbraw/zinc/47/45/19/1319474519.db2.gz KZOFHUWVAPMJOS-HZPDHXFCSA-N 2 0 327.513 3.142 20 0 EGADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCOC2=O)cc1 ZINC000817979984 1319483568 /nfs/dbraw/zinc/48/35/68/1319483568.db2.gz GWWXXCBTQBASEB-DOTOQJQBSA-N 2 0 331.460 3.216 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961368583 1319526076 /nfs/dbraw/zinc/52/60/76/1319526076.db2.gz UHVKWSOIQCSQBT-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453616 1319557417 /nfs/dbraw/zinc/55/74/17/1319557417.db2.gz CYRKFEJOZBWCFS-WBVHZDCISA-N 2 0 342.487 3.131 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961411450 1319566770 /nfs/dbraw/zinc/56/67/70/1319566770.db2.gz NNKNKLKLGKHXAI-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411846 1319569096 /nfs/dbraw/zinc/56/90/96/1319569096.db2.gz PEPDAZMRNHYSTC-QUCCMNQESA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434302 1319586632 /nfs/dbraw/zinc/58/66/32/1319586632.db2.gz DZWBLHMKPUPODN-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000961433732 1319586839 /nfs/dbraw/zinc/58/68/39/1319586839.db2.gz BUHBJBGRLWGRAN-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000818952997 1319587377 /nfs/dbraw/zinc/58/73/77/1319587377.db2.gz FQOHJSHKPCJQDU-GOSISDBHSA-N 2 0 336.838 3.364 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c1 ZINC000818970970 1319597470 /nfs/dbraw/zinc/59/74/70/1319597470.db2.gz RCRALQLDUXMQGA-IBGZPJMESA-N 2 0 334.410 3.240 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)C(C)(C)C ZINC000819080835 1319630915 /nfs/dbraw/zinc/63/09/15/1319630915.db2.gz IYRUTNQRSBQJMR-JKSUJKDBSA-N 2 0 330.875 3.469 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000819102520 1319636653 /nfs/dbraw/zinc/63/66/53/1319636653.db2.gz KVQINPGYVHZZBF-WFASDCNBSA-N 2 0 332.410 3.305 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819106162 1319637030 /nfs/dbraw/zinc/63/70/30/1319637030.db2.gz NZLYFDCRVLGVEP-KRWDZBQOSA-N 2 0 344.421 3.450 20 0 EGADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000819137385 1319644776 /nfs/dbraw/zinc/64/47/76/1319644776.db2.gz CAGBWJVNLFGTHJ-MHJFOBGBSA-N 2 0 334.479 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819151820 1319649354 /nfs/dbraw/zinc/64/93/54/1319649354.db2.gz FLWDBOSZSLJTEE-RHSMWYFYSA-N 2 0 344.421 3.306 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819151670 1319649970 /nfs/dbraw/zinc/64/99/70/1319649970.db2.gz DKHOMGKRCVUVOD-DYVFJYSZSA-N 2 0 328.859 3.080 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001023554229 1319666288 /nfs/dbraw/zinc/66/62/88/1319666288.db2.gz IIDXXGLJIXTBFT-SXLOBPIMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CCCC1 ZINC000819226703 1319675570 /nfs/dbraw/zinc/67/55/70/1319675570.db2.gz IXNPWPPLXNNMPB-INIZCTEOSA-N 2 0 328.859 3.224 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000819220512 1319673049 /nfs/dbraw/zinc/67/30/49/1319673049.db2.gz PGTQNSIGTCXQPO-BDJLRTHQSA-N 2 0 329.271 3.267 20 0 EGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(-n2cnnc2)c1 ZINC000820805483 1319955547 /nfs/dbraw/zinc/95/55/47/1319955547.db2.gz KHCJNFXKLKWTOM-CQSZACIVSA-N 2 0 327.476 3.227 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC000821982244 1320045084 /nfs/dbraw/zinc/04/50/84/1320045084.db2.gz IJVGIKOEXKAXKS-INIZCTEOSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822838740 1320127845 /nfs/dbraw/zinc/12/78/45/1320127845.db2.gz CJWHTTGXALGVGN-INIZCTEOSA-N 2 0 346.519 3.033 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(CC4(C[NH3+])CC4)n3)cc2)CC1 ZINC000822920533 1320137122 /nfs/dbraw/zinc/13/71/22/1320137122.db2.gz YRIHDSYPXWILBI-UHFFFAOYSA-N 2 0 340.471 3.250 20 0 EGADRP CN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)C(C)(C)C[NH+]1CCCC1 ZINC000822953695 1320140202 /nfs/dbraw/zinc/14/02/02/1320140202.db2.gz YXHLTMJPWXMWTD-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823630703 1320193563 /nfs/dbraw/zinc/19/35/63/1320193563.db2.gz RYBQXSGADGKAGP-SJORKVTESA-N 2 0 341.540 3.342 20 0 EGADRP C[C@@H]1CCCN1CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824098592 1320228938 /nfs/dbraw/zinc/22/89/38/1320228938.db2.gz MMNVBIYIYOCIQB-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000825409818 1320335908 /nfs/dbraw/zinc/33/59/08/1320335908.db2.gz LFYZCZWFFZJXFG-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000826653701 1320393380 /nfs/dbraw/zinc/39/33/80/1320393380.db2.gz HYUQDHWEARJXTO-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]1SC ZINC000838971119 1320845261 /nfs/dbraw/zinc/84/52/61/1320845261.db2.gz NVMHRTJBQGKXJV-YXYCDRMUSA-N 2 0 326.550 3.282 20 0 EGADRP C[C@@](Cc1ccccc1)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000839681148 1320960552 /nfs/dbraw/zinc/96/05/52/1320960552.db2.gz PZJDFRRNEWITOP-VXKWHMMOSA-N 2 0 338.495 3.191 20 0 EGADRP CCSc1ccccc1C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000930662622 1328928802 /nfs/dbraw/zinc/92/88/02/1328928802.db2.gz CCECRTVWBOEHRF-UHFFFAOYSA-N 2 0 335.561 3.304 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000840807824 1321153608 /nfs/dbraw/zinc/15/36/08/1321153608.db2.gz GODJICXUIKAHNX-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(F)cc2Br)cc1 ZINC000841032794 1321204588 /nfs/dbraw/zinc/20/45/88/1321204588.db2.gz YFJMIOGNXZTKGV-UHFFFAOYSA-N 2 0 337.236 3.379 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000841032125 1321204704 /nfs/dbraw/zinc/20/47/04/1321204704.db2.gz MEFNNQVNZKOSAY-XMSQKQJNSA-N 2 0 337.511 3.331 20 0 EGADRP CC(C)[C@@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[C@H](C)[NH3+] ZINC000841823789 1321319572 /nfs/dbraw/zinc/31/95/72/1321319572.db2.gz PWOYUWLSSXVJHX-WMLDXEAASA-N 2 0 328.460 3.419 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000842471440 1321392411 /nfs/dbraw/zinc/39/24/11/1321392411.db2.gz BIEWYHGKBPTDNT-UHFFFAOYSA-N 2 0 337.895 3.007 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000842471976 1321392635 /nfs/dbraw/zinc/39/26/35/1321392635.db2.gz JZHLJZWVDFOHRB-UHFFFAOYSA-N 2 0 345.531 3.063 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@H](c3nc([C@H]4CCC[NH2+]C4)no3)C2)c1 ZINC000842669437 1321415037 /nfs/dbraw/zinc/41/50/37/1321415037.db2.gz OXDPQAPYOXJMLD-HOTGVXAUSA-N 2 0 344.434 3.055 20 0 EGADRP [NH3+]CCCCCC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000843126146 1321474023 /nfs/dbraw/zinc/47/40/23/1321474023.db2.gz BAGXZDMMYHSPQQ-UHFFFAOYSA-N 2 0 342.274 3.183 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC[NH2+]CC4)no3)C2)c1 ZINC000843138219 1321475744 /nfs/dbraw/zinc/47/57/44/1321475744.db2.gz PNORIUVGEBSXRZ-MRXNPFEDSA-N 2 0 344.434 3.055 20 0 EGADRP c1cc(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)ccc1C[NH+]1CCCC1 ZINC000843173389 1321481965 /nfs/dbraw/zinc/48/19/65/1321481965.db2.gz PZJBZSXHOIQYBC-KRWDZBQOSA-N 2 0 338.455 3.190 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2noc(CCC(C)(C)[NH3+])n2)cc1 ZINC000843199835 1321485833 /nfs/dbraw/zinc/48/58/33/1321485833.db2.gz CSIZPKVUOHOYJA-UHFFFAOYSA-N 2 0 346.475 3.127 20 0 EGADRP C[NH2+]C[C@H](C)c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000843201290 1321486879 /nfs/dbraw/zinc/48/68/79/1321486879.db2.gz YUAPGYXETDOJPI-HNNXBMFYSA-N 2 0 328.460 3.291 20 0 EGADRP C[C@@H]1OCC[C@@]1(C)[NH2+]CC[Si](C)(C)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000859278950 1328960095 /nfs/dbraw/zinc/96/00/95/1328960095.db2.gz IAWWFWGWPJGFKP-XLAORIBOSA-N 2 0 342.600 3.009 20 0 EGADRP CCc1cc2oc(=O)cc(C[NH+]3CCC(C[NH3+])CC3)c2cc1Cl ZINC000843344995 1321502838 /nfs/dbraw/zinc/50/28/38/1321502838.db2.gz LQQYASZKYSYLSU-UHFFFAOYSA-N 2 0 334.847 3.180 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000843352362 1321504044 /nfs/dbraw/zinc/50/40/44/1321504044.db2.gz DZVYSDGNNZQNBV-UHFFFAOYSA-N 2 0 328.456 3.231 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(=O)oc3cc(CC)ccc23)CC1 ZINC000843352983 1321504155 /nfs/dbraw/zinc/50/41/55/1321504155.db2.gz QKXDHOFDEHZZLE-UHFFFAOYSA-N 2 0 328.456 3.177 20 0 EGADRP C[N@H+](CC(=O)Nc1ccccc1SC(F)F)C1CCC([NH3+])CC1 ZINC000843354039 1321505311 /nfs/dbraw/zinc/50/53/11/1321505311.db2.gz SITBHUQSFURWAB-UHFFFAOYSA-N 2 0 343.443 3.142 20 0 EGADRP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000843358323 1321505874 /nfs/dbraw/zinc/50/58/74/1321505874.db2.gz KPFJOMOJAYCHCG-IBGZPJMESA-N 2 0 336.907 3.475 20 0 EGADRP COc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364962 1321507232 /nfs/dbraw/zinc/50/72/32/1321507232.db2.gz XSSBDGVRJINRIN-PWSUYJOCSA-N 2 0 334.407 3.476 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843385715 1321509705 /nfs/dbraw/zinc/50/97/05/1321509705.db2.gz FBUGEKZMUJVMTM-INIZCTEOSA-N 2 0 343.515 3.387 20 0 EGADRP C[N@H+](CCCCCC[NH3+])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000846218927 1321777751 /nfs/dbraw/zinc/77/77/51/1321777751.db2.gz ZICMOLNEBLIKHM-CVEARBPZSA-N 2 0 331.287 3.402 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000846218401 1321777802 /nfs/dbraw/zinc/77/78/02/1321777802.db2.gz NDCJYZCAKGWRTI-GOSISDBHSA-N 2 0 332.492 3.182 20 0 EGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCCCCC[NH3+])C2)cc1 ZINC000846218622 1321777835 /nfs/dbraw/zinc/77/78/35/1321777835.db2.gz UBYKEGZDSIGWQZ-SFHVURJKSA-N 2 0 346.519 3.348 20 0 EGADRP c1cc(-c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)ccc1C[NH+]1CCCC1 ZINC000848618786 1321981637 /nfs/dbraw/zinc/98/16/37/1321981637.db2.gz WDZJJHWCWVCBFA-FXAWDEMLSA-N 2 0 338.455 3.190 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(/C=C/C(=O)OC)o2)c1 ZINC000848894341 1322032923 /nfs/dbraw/zinc/03/29/23/1322032923.db2.gz CWVSNPIRUARUAU-ZHACJKMWSA-N 2 0 342.439 3.207 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000848910293 1322043462 /nfs/dbraw/zinc/04/34/62/1322043462.db2.gz HUUVRXQEDGHWHM-HXUWFJFHSA-N 2 0 329.532 3.410 20 0 EGADRP CC(C)CCNC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000848989808 1322056329 /nfs/dbraw/zinc/05/63/29/1322056329.db2.gz BZMJYPOCIXRCDN-IEBWSBKVSA-N 2 0 330.520 3.447 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC2CCCC2)cc1 ZINC000849002428 1322058026 /nfs/dbraw/zinc/05/80/26/1322058026.db2.gz FEDKYWGUXGLZDF-KRWDZBQOSA-N 2 0 344.503 3.106 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(Cl)c1 ZINC000849064781 1322063954 /nfs/dbraw/zinc/06/39/54/1322063954.db2.gz HGEIUOIEXWCWOW-MRXNPFEDSA-N 2 0 336.911 3.216 20 0 EGADRP [NH2+]=C(NC[C@@H]1Cc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849071719 1322066366 /nfs/dbraw/zinc/06/63/66/1322066366.db2.gz CGUDODJOILEKAU-IBGZPJMESA-N 2 0 348.494 3.105 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1C ZINC000849087723 1322073225 /nfs/dbraw/zinc/07/32/25/1322073225.db2.gz KYNFGLIEYVNECF-OAHLLOKOSA-N 2 0 342.409 3.112 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000849115668 1322084352 /nfs/dbraw/zinc/08/43/52/1322084352.db2.gz CZZXAUIIFMNHTD-HNNXBMFYSA-N 2 0 348.491 3.152 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000920181394 1322148365 /nfs/dbraw/zinc/14/83/65/1322148365.db2.gz VPZSZJMLWQUWEA-OAHLLOKOSA-N 2 0 332.517 3.438 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000850422186 1322245366 /nfs/dbraw/zinc/24/53/66/1322245366.db2.gz IIFHSGQAWZEGFF-UHFFFAOYSA-N 2 0 347.503 3.155 20 0 EGADRP C([NH2+][C@H]1CC[C@@H]2SCCS[C@H]12)C1CC[NH+](CC2CC2)CC1 ZINC000850582111 1322273116 /nfs/dbraw/zinc/27/31/16/1322273116.db2.gz HNJWPEUQHNQMPK-YESZJQIVSA-N 2 0 326.575 3.078 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000921857824 1322413132 /nfs/dbraw/zinc/41/31/32/1322413132.db2.gz BCYSTLNAHDKLIC-BSDSXHPESA-N 2 0 326.550 3.018 20 0 EGADRP CCCCN(CC(=O)Nc1ccon1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931031324 1329033341 /nfs/dbraw/zinc/03/33/41/1329033341.db2.gz AMXBMRNJZLFSPQ-UHFFFAOYSA-N 2 0 336.480 3.024 20 0 EGADRP CCCC[N@H+](C[C@H]1CCNC(=O)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033655 1329033638 /nfs/dbraw/zinc/03/36/38/1329033638.db2.gz JNWLXFQJOPJZRR-MRXNPFEDSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccnc(NC[C@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923326593 1322734746 /nfs/dbraw/zinc/73/47/46/1322734746.db2.gz MMPVTWKBLQOYLC-MSRNWOCLSA-N 2 0 328.504 3.045 20 0 EGADRP COc1cccc([C@@H](CNC2CC[NH+](CCC(C)C)CC2)[NH+](C)C)c1 ZINC000924533510 1323046103 /nfs/dbraw/zinc/04/61/03/1323046103.db2.gz RBMXXPNHRQMBLK-OAQYLSRUSA-N 2 0 347.547 3.398 20 0 EGADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000851632358 1323065504 /nfs/dbraw/zinc/06/55/04/1323065504.db2.gz OSHWFVXBZONXCO-LJQANCHMSA-N 2 0 349.478 3.117 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001024017532 1323079020 /nfs/dbraw/zinc/07/90/20/1323079020.db2.gz FTIIHSVKOVOZSD-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)CCC1 ZINC001024016531 1323079632 /nfs/dbraw/zinc/07/96/32/1323079632.db2.gz HUQNZJNESYBFIO-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1coc2ccccc21)N1CC[NH+](C)CC1 ZINC000924630270 1323083591 /nfs/dbraw/zinc/08/35/91/1323083591.db2.gz AGUBIXDPIWRCSL-LPHOPBHVSA-N 2 0 329.488 3.355 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000962810225 1323106778 /nfs/dbraw/zinc/10/67/78/1323106778.db2.gz VTXJGHDKGCMNJV-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000924678528 1323108465 /nfs/dbraw/zinc/10/84/65/1323108465.db2.gz BRODCOSKEZQBOD-HLIPFELVSA-N 2 0 343.515 3.208 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000924678531 1323108477 /nfs/dbraw/zinc/10/84/77/1323108477.db2.gz BRODCOSKEZQBOD-UWVAXJGDSA-N 2 0 343.515 3.208 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000924678530 1323108856 /nfs/dbraw/zinc/10/88/56/1323108856.db2.gz BRODCOSKEZQBOD-MBOZVWFJSA-N 2 0 343.515 3.208 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(-n2cnnc2)c1 ZINC000924681002 1323109556 /nfs/dbraw/zinc/10/95/56/1323109556.db2.gz JZRCHQXOISCNGM-SFHVURJKSA-N 2 0 341.503 3.430 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000924682042 1323111445 /nfs/dbraw/zinc/11/14/45/1323111445.db2.gz UYRQTCAWWLFAEE-PMACEKPBSA-N 2 0 332.536 3.233 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000963158239 1323219891 /nfs/dbraw/zinc/21/98/91/1323219891.db2.gz VPKMHJBZGMKOQS-SOAGJPPSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924967253 1323232007 /nfs/dbraw/zinc/23/20/07/1323232007.db2.gz WGSRBEQHLVTABW-QGZVFWFLSA-N 2 0 342.487 3.020 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC000924993623 1323239330 /nfs/dbraw/zinc/23/93/30/1323239330.db2.gz PWNDQTVWRUUGPE-RYUDHWBXSA-N 2 0 348.293 3.419 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000853106128 1323284250 /nfs/dbraw/zinc/28/42/50/1323284250.db2.gz QUIOWSQUAUKWJJ-TZIWHRDSSA-N 2 0 339.483 3.007 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024366612 1323341198 /nfs/dbraw/zinc/34/11/98/1323341198.db2.gz UBVGGHIXANJUFY-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024436645 1323395220 /nfs/dbraw/zinc/39/52/20/1323395220.db2.gz GIILTAKNXAGHQU-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC1CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440950 1323403757 /nfs/dbraw/zinc/40/37/57/1323403757.db2.gz VTKWIMAQEHJQEZ-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCC2)ccc2c[nH+]cn21 ZINC001024520452 1323469314 /nfs/dbraw/zinc/46/93/14/1323469314.db2.gz KFIDRMXFEWCYDX-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024524771 1323471804 /nfs/dbraw/zinc/47/18/04/1323471804.db2.gz ZWCUFYQWYGBOIV-RTBURBONSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617069 1323545179 /nfs/dbraw/zinc/54/51/79/1323545179.db2.gz AVJFPNVKAPLSED-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024812194 1323716180 /nfs/dbraw/zinc/71/61/80/1323716180.db2.gz KCHBLGYAJPCIJE-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024962304 1323801595 /nfs/dbraw/zinc/80/15/95/1323801595.db2.gz NUMOUYIFRCEUSG-MSOLQXFVSA-N 2 0 349.544 3.092 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025059440 1323862561 /nfs/dbraw/zinc/86/25/61/1323862561.db2.gz PXZRXZITAXEBJC-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001025121736 1323904811 /nfs/dbraw/zinc/90/48/11/1323904811.db2.gz GRRYOWPIWHTACI-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CC1(O)CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000931485552 1329128508 /nfs/dbraw/zinc/12/85/08/1329128508.db2.gz MQMXOQMCAYTWSE-UHFFFAOYSA-N 2 0 342.936 3.211 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025243746 1324039821 /nfs/dbraw/zinc/03/98/21/1324039821.db2.gz QNXBGPFFKZPPRF-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273923 1324090377 /nfs/dbraw/zinc/09/03/77/1324090377.db2.gz IEWLJGIQIILSFS-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293522 1324120002 /nfs/dbraw/zinc/12/00/02/1324120002.db2.gz CZKOMFBPGQICGB-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475872 1324320713 /nfs/dbraw/zinc/32/07/13/1324320713.db2.gz VUJAJORDSUGJHS-SJLPKXTDSA-N 2 0 342.487 3.211 20 0 EGADRP O=C(NC1CCC([NH2+]Cc2ccccc2)CC1)c1ccn2c[nH+]cc2c1 ZINC001026522403 1324864907 /nfs/dbraw/zinc/86/49/07/1324864907.db2.gz GISXAMHYDIJHKB-UHFFFAOYSA-N 2 0 348.450 3.165 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH2+]CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001026571998 1324904626 /nfs/dbraw/zinc/90/46/26/1324904626.db2.gz XPOFBLOLEPUSNV-IPJUCJBFSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026571814 1324904640 /nfs/dbraw/zinc/90/46/40/1324904640.db2.gz NEFVGQLHBPCZMY-CTWPCTMYSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001026592491 1324918418 /nfs/dbraw/zinc/91/84/18/1324918418.db2.gz CNKQUYKTOYDHHG-HDYDNRTBSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2CCC(NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001026605762 1324927834 /nfs/dbraw/zinc/92/78/34/1324927834.db2.gz ALIYYGRHIQUFTR-QHGAOEGBSA-N 2 0 343.515 3.169 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026897910 1325067403 /nfs/dbraw/zinc/06/74/03/1325067403.db2.gz WQGXAUMUZMNXQF-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026932419 1325089983 /nfs/dbraw/zinc/08/99/83/1325089983.db2.gz YQXRYKHBKAXYKU-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000925242227 1325093123 /nfs/dbraw/zinc/09/31/23/1325093123.db2.gz YJIFMZSVPRFTRG-NVXWUHKLSA-N 2 0 331.460 3.349 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364407 1325166145 /nfs/dbraw/zinc/16/61/45/1325166145.db2.gz CCWQAOAGRDEGRZ-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP COc1cccc([C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)N(C)C)c1 ZINC000925493044 1325175631 /nfs/dbraw/zinc/17/56/31/1325175631.db2.gz JQWVAWCYYZGGHO-LEWJYISDSA-N 2 0 341.499 3.368 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000925542710 1325200191 /nfs/dbraw/zinc/20/01/91/1325200191.db2.gz OICBEPHAFORGGZ-MISYRCLQSA-N 2 0 327.516 3.304 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001027070040 1325201176 /nfs/dbraw/zinc/20/11/76/1325201176.db2.gz HKQIEFRQUCBRKS-QUCCMNQESA-N 2 0 345.531 3.088 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556075 1325206781 /nfs/dbraw/zinc/20/67/81/1325206781.db2.gz JTLXPDMOSMBOPR-KRFUXDQASA-N 2 0 327.516 3.003 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000925570577 1325215690 /nfs/dbraw/zinc/21/56/90/1325215690.db2.gz BIBDTBYMPPUJHR-BKUZFWFUSA-N 2 0 329.271 3.132 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221400 1325229743 /nfs/dbraw/zinc/22/97/43/1325229743.db2.gz LQLKABBGIHLMTO-SZNDQCEHSA-N 2 0 335.451 3.386 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc[nH+]1 ZINC000925613819 1325231162 /nfs/dbraw/zinc/23/11/62/1325231162.db2.gz FCWWCRRLQDHGET-NHCUHLMSSA-N 2 0 342.531 3.056 20 0 EGADRP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000925631776 1325239292 /nfs/dbraw/zinc/23/92/92/1325239292.db2.gz KBVZEKCAFCYFRK-OKYOBFRVSA-N 2 0 349.469 3.348 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C12CCC2 ZINC000925668099 1325256326 /nfs/dbraw/zinc/25/63/26/1325256326.db2.gz GSKYIEBNSHXVOJ-GJZGRUSLSA-N 2 0 348.288 3.332 20 0 EGADRP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CCO2)ccn1 ZINC000925691526 1325263113 /nfs/dbraw/zinc/26/31/13/1325263113.db2.gz NRSJWMCMZFJLKD-WTGUMLROSA-N 2 0 329.488 3.060 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000925709193 1325266782 /nfs/dbraw/zinc/26/67/82/1325266782.db2.gz UORUPHXTSHIYJE-FRIKZZABSA-N 3 0 339.527 3.424 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccccc1 ZINC000925728280 1325271721 /nfs/dbraw/zinc/27/17/21/1325271721.db2.gz KKXZXSKHUGCTEK-GOSISDBHSA-N 2 0 325.456 3.236 20 0 EGADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809669 1325311488 /nfs/dbraw/zinc/31/14/88/1325311488.db2.gz SONCLFVDLUEYTN-JOCHJYFZSA-N 2 0 335.495 3.177 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)O1 ZINC000925833412 1325321613 /nfs/dbraw/zinc/32/16/13/1325321613.db2.gz ISSSWBFWIMXXJN-QXSJWSMHSA-N 2 0 334.426 3.244 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963632683 1325349316 /nfs/dbraw/zinc/34/93/16/1325349316.db2.gz GFTRMTWUQUCOMP-UHFFFAOYSA-N 2 0 340.471 3.107 20 0 EGADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963727851 1325389287 /nfs/dbraw/zinc/38/92/87/1325389287.db2.gz GJNJFCODFZNTIN-SOAGJPPSSA-N 2 0 347.547 3.020 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000926142193 1325444761 /nfs/dbraw/zinc/44/47/61/1325444761.db2.gz JPOVMUIAKPKATE-YRNRMSPPSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H](CC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000926144287 1325446407 /nfs/dbraw/zinc/44/64/07/1325446407.db2.gz OBXBRSGRALTEHY-KLAILNCOSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926148503 1325448052 /nfs/dbraw/zinc/44/80/52/1325448052.db2.gz RPUNKBZAKDKMEC-LAUBAEHRSA-N 2 0 326.484 3.393 20 0 EGADRP CC1([NH+]2CCCC2)CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000926158682 1325451610 /nfs/dbraw/zinc/45/16/10/1325451610.db2.gz MZVPRQFSVFGFRG-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)[C@@]12CCCO2 ZINC000926166986 1325454509 /nfs/dbraw/zinc/45/45/09/1325454509.db2.gz XSWNUJXXPZNIDH-QLIIJSOBSA-N 2 0 332.488 3.125 20 0 EGADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000964208887 1325488605 /nfs/dbraw/zinc/48/86/05/1325488605.db2.gz XIUFPPPKDAFFJI-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(-n2cnnc2)c1 ZINC000926274234 1325499357 /nfs/dbraw/zinc/49/93/57/1325499357.db2.gz GGOSUBQYEYRNAS-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926557408 1327615788 /nfs/dbraw/zinc/61/57/88/1327615788.db2.gz AWSDVMDKSRTKMB-ZBFHGGJFSA-N 2 0 340.471 3.129 20 0 EGADRP CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000964645116 1327618534 /nfs/dbraw/zinc/61/85/34/1327618534.db2.gz VMRSNGWQFIMDQA-JDKNDNFBSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1nc(Br)ccc1F ZINC000926572668 1327620072 /nfs/dbraw/zinc/62/00/72/1327620072.db2.gz GSRNJAZAWYPHCY-NEPJUHHUSA-N 2 0 344.272 3.366 20 0 EGADRP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926588475 1327627546 /nfs/dbraw/zinc/62/75/46/1327627546.db2.gz WUDSTNQJZIDJMZ-KXBFYZLASA-N 2 0 330.447 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027410664 1327636751 /nfs/dbraw/zinc/63/67/51/1327636751.db2.gz YKAKEWDPKRCLRG-OALUTQOASA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001027418668 1327645048 /nfs/dbraw/zinc/64/50/48/1327645048.db2.gz GUJFMMSUBIQQRK-HSALFYBXSA-N 2 0 347.547 3.140 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447977 1327689886 /nfs/dbraw/zinc/68/98/86/1327689886.db2.gz CRNJXCOIZFKLQC-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027464871 1327717173 /nfs/dbraw/zinc/71/71/73/1327717173.db2.gz IMWVAPDOZHOTOX-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCCN2CC(F)(F)F)CC1 ZINC000926924411 1327778642 /nfs/dbraw/zinc/77/86/42/1327778642.db2.gz XDJYGCVNBCPNDY-MRXNPFEDSA-N 2 0 335.458 3.113 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCCN2CC(F)(F)F)CC1 ZINC000926924410 1327778780 /nfs/dbraw/zinc/77/87/80/1327778780.db2.gz XDJYGCVNBCPNDY-INIZCTEOSA-N 2 0 335.458 3.113 20 0 EGADRP CC(C)[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000927070410 1327840666 /nfs/dbraw/zinc/84/06/66/1327840666.db2.gz ZWQLXLZESJYOBM-OXQOHEQNSA-N 2 0 344.503 3.408 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603167 1327956630 /nfs/dbraw/zinc/95/66/30/1327956630.db2.gz DRZLJAGLAVORGY-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CC2)C1 ZINC001027648776 1328027940 /nfs/dbraw/zinc/02/79/40/1328027940.db2.gz ZPTWVCYCHDKHQE-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001027694492 1328100851 /nfs/dbraw/zinc/10/08/51/1328100851.db2.gz AERKCTHVCCPCNU-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027918128 1328395520 /nfs/dbraw/zinc/39/55/20/1328395520.db2.gz KHAFZKGSKZIETJ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCCC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001027963759 1328434756 /nfs/dbraw/zinc/43/47/56/1328434756.db2.gz DHSZZHHXIJOEAJ-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001027984113 1328456366 /nfs/dbraw/zinc/45/63/66/1328456366.db2.gz JMRBSJUXASLAPV-SFHVURJKSA-N 2 0 348.450 3.037 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000865417272 1329694432 /nfs/dbraw/zinc/69/44/32/1329694432.db2.gz FEIYSLPASVTTII-SFHVURJKSA-N 2 0 347.503 3.143 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000866469273 1330116468 /nfs/dbraw/zinc/11/64/68/1330116468.db2.gz KNOWLHWXHATRDW-KRWDZBQOSA-N 2 0 341.503 3.428 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000866590114 1330130175 /nfs/dbraw/zinc/13/01/75/1330130175.db2.gz MNGNPFCHEBDUTD-YADHBBJMSA-N 2 0 341.543 3.209 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866637174 1330136749 /nfs/dbraw/zinc/13/67/49/1330136749.db2.gz STHXLXNKZCIOLJ-OXQOHEQNSA-N 2 0 334.504 3.219 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)co1 ZINC000866667699 1330139605 /nfs/dbraw/zinc/13/96/05/1330139605.db2.gz VMAHVMXNRXHZGS-OAHLLOKOSA-N 2 0 341.455 3.314 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940779910 1331190186 /nfs/dbraw/zinc/19/01/86/1331190186.db2.gz HZJJOIKEYZGINA-MRXNPFEDSA-N 2 0 349.544 3.050 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942720395 1332024740 /nfs/dbraw/zinc/02/47/40/1332024740.db2.gz IQHJBPOFEMDUNX-FXAWDEMLSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946614601 1332862969 /nfs/dbraw/zinc/86/29/69/1332862969.db2.gz FDAOIXWASXBXNZ-IYBDPMFKSA-N 2 0 349.544 3.004 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947474088 1333142491 /nfs/dbraw/zinc/14/24/91/1333142491.db2.gz QGWREVRRANMNSY-WBVHZDCISA-N 2 0 340.471 3.192 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCCC1CCC1 ZINC000947493058 1333146069 /nfs/dbraw/zinc/14/60/69/1333146069.db2.gz PSTSPMKHZXLNIB-IEBWSBKVSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC(C)(C)C ZINC000947494347 1333146703 /nfs/dbraw/zinc/14/67/03/1333146703.db2.gz XYNVJHCDRCIBOW-DLBZAZTESA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000947614860 1333193455 /nfs/dbraw/zinc/19/34/55/1333193455.db2.gz AZEWFQVELMHATN-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCCC1 ZINC000947684946 1333223110 /nfs/dbraw/zinc/22/31/10/1333223110.db2.gz KMOQIVQWHJEWOZ-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881873 1333289825 /nfs/dbraw/zinc/28/98/25/1333289825.db2.gz KNCWPAWZUHMWEY-HKUYNNGSSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947907265 1333301767 /nfs/dbraw/zinc/30/17/67/1333301767.db2.gz FXMLUGCGLAILBC-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000948389469 1333504836 /nfs/dbraw/zinc/50/48/36/1333504836.db2.gz SCJAFXRGGNYPLN-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416604 1333516580 /nfs/dbraw/zinc/51/65/80/1333516580.db2.gz JZHKBQDVEJLJAG-INIZCTEOSA-N 2 0 337.533 3.145 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591480 1333588380 /nfs/dbraw/zinc/58/83/80/1333588380.db2.gz YFITXYRSKYFGCD-FUHWJXTLSA-N 2 0 342.487 3.307 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621632 1333600883 /nfs/dbraw/zinc/60/08/83/1333600883.db2.gz SJYTXKWCNJNPOP-KRWDZBQOSA-N 2 0 328.460 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000948634289 1333604827 /nfs/dbraw/zinc/60/48/27/1333604827.db2.gz VBNGLCGIWGIIGQ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948829442 1333700990 /nfs/dbraw/zinc/70/09/90/1333700990.db2.gz NBPLSUWRPCOVLC-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000949628065 1333885585 /nfs/dbraw/zinc/88/55/85/1333885585.db2.gz REUUPPVOAMICCD-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CC3CCC(C)(C)CC3)CC2)CC[N@@H+]1C ZINC000949862550 1333947642 /nfs/dbraw/zinc/94/76/42/1333947642.db2.gz HPGLWZGIMWSOLU-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968386802 1335915030 /nfs/dbraw/zinc/91/50/30/1335915030.db2.gz PPXDLUMEXPPJIB-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968644575 1335994896 /nfs/dbraw/zinc/99/48/96/1335994896.db2.gz BNXNSASQBPNBKV-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968645369 1335995059 /nfs/dbraw/zinc/99/50/59/1335995059.db2.gz XOHCURYXBHWSOE-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000968904384 1336085100 /nfs/dbraw/zinc/08/51/00/1336085100.db2.gz RKVHGWVFESKGRQ-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CC1CCCC1)C12CCC[NH+]1CCC2 ZINC000968934443 1336095623 /nfs/dbraw/zinc/09/56/23/1336095623.db2.gz XEUBXBJBNGCEPV-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2CCCC2)CC1 ZINC000969013622 1336118724 /nfs/dbraw/zinc/11/87/24/1336118724.db2.gz BINPYKBCNSNAQP-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(NC[C@@H]1CCCCC[N@@H+]1CCCC1CCC1)C12CC[NH+](CC1)C2 ZINC000969118366 1336149808 /nfs/dbraw/zinc/14/98/08/1336149808.db2.gz NEPZMTWPZKADFL-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP O=C(N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC000969197937 1336174566 /nfs/dbraw/zinc/17/45/66/1336174566.db2.gz SECBJWHAAINMFL-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970028637 1336272833 /nfs/dbraw/zinc/27/28/33/1336272833.db2.gz WGNUDGKCZHKTJO-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970028648 1336272993 /nfs/dbraw/zinc/27/29/93/1336272993.db2.gz WGNUDGKCZHKTJO-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(CC)CC)CC1 ZINC001005475965 1336358144 /nfs/dbraw/zinc/35/81/44/1336358144.db2.gz LUXIUPVHXXOWAG-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005997707 1336435985 /nfs/dbraw/zinc/43/59/85/1336435985.db2.gz PUDUWELVPSUXQG-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006398816 1336499448 /nfs/dbraw/zinc/49/94/48/1336499448.db2.gz GBLPBOZIVVHAGV-AZUAARDMSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001007500317 1336658794 /nfs/dbraw/zinc/65/87/94/1336658794.db2.gz RXZCXBVWPQWUQS-ROUUACIJSA-N 2 0 349.544 3.092 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001007499813 1336658957 /nfs/dbraw/zinc/65/89/57/1336658957.db2.gz QNNDJGGMTGDHNN-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001007947703 1336737406 /nfs/dbraw/zinc/73/74/06/1336737406.db2.gz IMORRUPETCMIJL-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001008274267 1336811809 /nfs/dbraw/zinc/81/18/09/1336811809.db2.gz FZOOGOQRWHYEFQ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001008278260 1336812843 /nfs/dbraw/zinc/81/28/43/1336812843.db2.gz WUQGCAWSGDKCCQ-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536960 1336877535 /nfs/dbraw/zinc/87/75/35/1336877535.db2.gz CCQJGDCDCLYMAP-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001009627199 1337049414 /nfs/dbraw/zinc/04/94/14/1337049414.db2.gz KVJQPBXAVQHIKY-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001009636624 1337050484 /nfs/dbraw/zinc/05/04/84/1337050484.db2.gz NOYMIOZQQMXHLJ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001009637557 1337050830 /nfs/dbraw/zinc/05/08/30/1337050830.db2.gz PCMBOKLVMFGSBA-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680160 1337058841 /nfs/dbraw/zinc/05/88/41/1337058841.db2.gz FMVAZJPRWLCRNI-DLBZAZTESA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014399242 1337767149 /nfs/dbraw/zinc/76/71/49/1337767149.db2.gz BQTXJYHUJWSTGF-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@H+]1C[C@@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207322917 1371361586 /nfs/dbraw/zinc/36/15/86/1371361586.db2.gz JOHZUPRDWFAVQX-IYBDPMFKSA-N 2 0 337.305 3.265 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014630165 1337853124 /nfs/dbraw/zinc/85/31/24/1337853124.db2.gz MRIWOGBJTAQUMI-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014720296 1337882877 /nfs/dbraw/zinc/88/28/77/1337882877.db2.gz CRKFHIBQIOOEGQ-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014903900 1337944196 /nfs/dbraw/zinc/94/41/96/1337944196.db2.gz BWVHIYJOCXQHOV-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014903895 1337944630 /nfs/dbraw/zinc/94/46/30/1337944630.db2.gz BWVHIYJOCXQHOV-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)C2)ccc2c[nH+]cn21 ZINC001015034204 1337997545 /nfs/dbraw/zinc/99/75/45/1337997545.db2.gz SVAQZDJQSMDUSQ-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501245 1338160681 /nfs/dbraw/zinc/16/06/81/1338160681.db2.gz YIGFZGSQJXQYLI-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501247 1338160765 /nfs/dbraw/zinc/16/07/65/1338160765.db2.gz YIGFZGSQJXQYLI-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001015596260 1338200103 /nfs/dbraw/zinc/20/01/03/1338200103.db2.gz AEFCILHQKURZIY-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603791 1338205064 /nfs/dbraw/zinc/20/50/64/1338205064.db2.gz YIXYAIQHIAFTFJ-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015796037 1338315748 /nfs/dbraw/zinc/31/57/48/1338315748.db2.gz UZYIHMWKJFFSAP-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001016333762 1338553310 /nfs/dbraw/zinc/55/33/10/1338553310.db2.gz MKGBBCSINKSLQD-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)C2)c1 ZINC001016333881 1338553485 /nfs/dbraw/zinc/55/34/85/1338553485.db2.gz ZRTCAXDKLNJJJW-FQEVSTJZSA-N 2 0 341.499 3.053 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016543059 1338640143 /nfs/dbraw/zinc/64/01/43/1338640143.db2.gz LVMMGGQUXWLLGO-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016619654 1338666598 /nfs/dbraw/zinc/66/65/98/1338666598.db2.gz BWGKXYKQCCVBKA-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016660789 1338682310 /nfs/dbraw/zinc/68/23/10/1338682310.db2.gz BHIORCLZNDRQNH-RBUKOAKNSA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862394 1338751397 /nfs/dbraw/zinc/75/13/97/1338751397.db2.gz XVBLUNMSJYCVNQ-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001017122077 1338879879 /nfs/dbraw/zinc/87/98/79/1338879879.db2.gz YYXIMKLRERMPSZ-SFHVURJKSA-N 2 0 344.503 3.013 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017152022 1338901779 /nfs/dbraw/zinc/90/17/79/1338901779.db2.gz KDMQYNJCPJLTNZ-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001017208439 1338955080 /nfs/dbraw/zinc/95/50/80/1338955080.db2.gz HHJUHRPGZQPWMR-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CC2)C1 ZINC001017246063 1338976674 /nfs/dbraw/zinc/97/66/74/1338976674.db2.gz LWDDCQMFGQLKSJ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCCCC1 ZINC001017265806 1338991272 /nfs/dbraw/zinc/99/12/72/1338991272.db2.gz DIFONFCPVZNXTG-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001018851169 1339738405 /nfs/dbraw/zinc/73/84/05/1339738405.db2.gz NKMRSOOSRCIVGP-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028114547 1340436240 /nfs/dbraw/zinc/43/62/40/1340436240.db2.gz IRTLEJYPIOIUJL-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCC2)cc1 ZINC001028202775 1340481925 /nfs/dbraw/zinc/48/19/25/1340481925.db2.gz HJKBPDQZYBOEIX-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)(C)C)c1 ZINC001028333382 1340571682 /nfs/dbraw/zinc/57/16/82/1340571682.db2.gz LKDSSSWDROIABZ-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028579712 1340712502 /nfs/dbraw/zinc/71/25/02/1340712502.db2.gz HJFDLUIPLICWOM-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001028762374 1340797916 /nfs/dbraw/zinc/79/79/16/1340797916.db2.gz KWFJJAOEUOGHBX-IHPCNDPISA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028845587 1340856984 /nfs/dbraw/zinc/85/69/84/1340856984.db2.gz NCNCPAZYPXWIAF-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001029108300 1340931588 /nfs/dbraw/zinc/93/15/88/1340931588.db2.gz ZCBJUBMCTLXUOX-OXJNMPFZSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001029108176 1340931773 /nfs/dbraw/zinc/93/17/73/1340931773.db2.gz XTGWMKZWKPAVEK-JXFKEZNVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001029109231 1340931828 /nfs/dbraw/zinc/93/18/28/1340931828.db2.gz BYADVKWLGXXZOI-XLIONFOSSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001029111351 1340932392 /nfs/dbraw/zinc/93/23/92/1340932392.db2.gz GTBIZTHTFWJTHX-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001029144678 1340942428 /nfs/dbraw/zinc/94/24/28/1340942428.db2.gz MIZZMHCPBCPIST-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001029173416 1340948574 /nfs/dbraw/zinc/94/85/74/1340948574.db2.gz PWVIUXSHARHHDM-PKOBYXMFSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029595586 1341018524 /nfs/dbraw/zinc/01/85/24/1341018524.db2.gz MZUMCKYUTJOEQD-TZRIAGMCSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC001030010118 1341156838 /nfs/dbraw/zinc/15/68/38/1341156838.db2.gz DTEJISJAVZLGFR-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001030020167 1341159728 /nfs/dbraw/zinc/15/97/28/1341159728.db2.gz KXAYGRSYIDVWTH-RLFYNMQTSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001030020882 1341159827 /nfs/dbraw/zinc/15/98/27/1341159827.db2.gz HBMHUDYZLMTMQE-ZYSHUDEJSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001030020896 1341159854 /nfs/dbraw/zinc/15/98/54/1341159854.db2.gz JDCALBZVLJIVII-XUVXKRRUSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)c1ccccc1 ZINC001030021663 1341159909 /nfs/dbraw/zinc/15/99/09/1341159909.db2.gz VPGNLSGURWGKED-FHWLQOOXSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001030441619 1341187884 /nfs/dbraw/zinc/18/78/84/1341187884.db2.gz CFKBFBJVCNKFGX-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031235263 1341301237 /nfs/dbraw/zinc/30/12/37/1341301237.db2.gz PWYQVWKSZDRGBN-AFMYVXGZSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766736 1341399256 /nfs/dbraw/zinc/39/92/56/1341399256.db2.gz MLFIIVOEAYNFRK-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1c(C(=O)NCC2C[NH+]([C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001031800349 1341403711 /nfs/dbraw/zinc/40/37/11/1341403711.db2.gz MDNLEBRFVSCEHG-OAHLLOKOSA-N 2 0 348.450 3.066 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031816349 1341405012 /nfs/dbraw/zinc/40/50/12/1341405012.db2.gz ANYGHNHFJKXBSF-MRXNPFEDSA-N 2 0 348.450 3.066 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001032206223 1341472880 /nfs/dbraw/zinc/47/28/80/1341472880.db2.gz VJQXPAAIOUZAHC-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032802639 1341618703 /nfs/dbraw/zinc/61/87/03/1341618703.db2.gz IBAGQVLHYZTNIY-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081899 1341718112 /nfs/dbraw/zinc/71/81/12/1341718112.db2.gz NNNROGJQZJQULB-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033318135 1341779373 /nfs/dbraw/zinc/77/93/73/1341779373.db2.gz HBANBOFXLQXNCV-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033365093 1341797218 /nfs/dbraw/zinc/79/72/18/1341797218.db2.gz KAUVESPNYMKIAH-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033471577 1341839486 /nfs/dbraw/zinc/83/94/86/1341839486.db2.gz LLRIOUONCDYZOC-MSOLQXFVSA-N 2 0 349.544 3.044 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033575357 1341880695 /nfs/dbraw/zinc/88/06/95/1341880695.db2.gz QYECUEUWJZZOMD-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033684479 1341949862 /nfs/dbraw/zinc/94/98/62/1341949862.db2.gz GGKIDSUXUYAWAM-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001033839712 1342036791 /nfs/dbraw/zinc/03/67/91/1342036791.db2.gz UIPPMZUOTBNCEL-HSALFYBXSA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050606 1342191432 /nfs/dbraw/zinc/19/14/32/1342191432.db2.gz NTIKEBJTBJDMSY-KRWDZBQOSA-N 2 0 349.519 3.458 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034250018 1342347047 /nfs/dbraw/zinc/34/70/47/1342347047.db2.gz NYIDZCRAPFCBRQ-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034291579 1342377120 /nfs/dbraw/zinc/37/71/20/1342377120.db2.gz ZYPPNRGTOGGPFM-LJQANCHMSA-N 2 0 345.531 3.086 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001034378421 1342448591 /nfs/dbraw/zinc/44/85/91/1342448591.db2.gz SDFZCFXRKLAUMV-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378576 1342448597 /nfs/dbraw/zinc/44/85/97/1342448597.db2.gz VOZICKZWTDQQRW-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001034464687 1342519448 /nfs/dbraw/zinc/51/94/48/1342519448.db2.gz ZWTBTNFIUVWUKB-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034471535 1342526391 /nfs/dbraw/zinc/52/63/91/1342526391.db2.gz DUJOHGSAEUEOTJ-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](CCC2CCCCCC2)C1 ZINC001034528095 1342583755 /nfs/dbraw/zinc/58/37/55/1342583755.db2.gz JUSUIFAWJQRXRM-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034543170 1342603877 /nfs/dbraw/zinc/60/38/77/1342603877.db2.gz ZGNMZIIWFWLCOS-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034659130 1342676208 /nfs/dbraw/zinc/67/62/08/1342676208.db2.gz NGOOILFEEXBMSQ-VAMGGRTRSA-N 2 0 347.547 3.378 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001034673971 1342685478 /nfs/dbraw/zinc/68/54/78/1342685478.db2.gz IGJWIPQVIWTAMR-PWKSQPCKSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001034703610 1342701823 /nfs/dbraw/zinc/70/18/23/1342701823.db2.gz DSNSNSIKDABTAA-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1)[NH+]1CCCC1 ZINC001034704762 1342701987 /nfs/dbraw/zinc/70/19/87/1342701987.db2.gz WCANXXFMEJCCIL-QAQDUYKDSA-N 2 0 349.544 3.140 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736773 1342728787 /nfs/dbraw/zinc/72/87/87/1342728787.db2.gz BVCUCQKKXDSIDS-LEAZDLGRSA-N 2 0 347.547 3.092 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC001034762398 1342743161 /nfs/dbraw/zinc/74/31/61/1342743161.db2.gz DSKBWLCKXJWYEW-WGSAOQKQSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034775994 1342753813 /nfs/dbraw/zinc/75/38/13/1342753813.db2.gz YFBSPZJVTJNDCI-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034796009 1342762537 /nfs/dbraw/zinc/76/25/37/1342762537.db2.gz BDUGMZXXKMGAHJ-ZULIPRJHSA-N 2 0 349.563 3.457 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034795829 1342762857 /nfs/dbraw/zinc/76/28/57/1342762857.db2.gz UQLKSHBVKUJTSB-KZNAEPCWSA-N 2 0 349.544 3.140 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001035028029 1342884927 /nfs/dbraw/zinc/88/49/27/1342884927.db2.gz HYMKWWMEMXIEPQ-KVPLUYHFSA-N 2 0 343.515 3.059 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035195960 1343010015 /nfs/dbraw/zinc/01/00/15/1343010015.db2.gz MADFVANASXOIBL-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217347 1343037705 /nfs/dbraw/zinc/03/77/05/1343037705.db2.gz QTWMIBGBRFZQTF-QYZOEREBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810211 1343210131 /nfs/dbraw/zinc/21/01/31/1343210131.db2.gz JSNFHFGHCHUQFF-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036137513 1343323226 /nfs/dbraw/zinc/32/32/26/1343323226.db2.gz NJXSILWZTLXTRJ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@H](C)C2)CC1 ZINC001036227185 1343369538 /nfs/dbraw/zinc/36/95/38/1343369538.db2.gz WGQUMXSHRBPAGE-QUCCMNQESA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001036450330 1343494571 /nfs/dbraw/zinc/49/45/71/1343494571.db2.gz KMWMKKNENSUMEX-FXAWDEMLSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001037009640 1343927048 /nfs/dbraw/zinc/92/70/48/1343927048.db2.gz OCXMPQXFYXHTSH-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037237160 1344059805 /nfs/dbraw/zinc/05/98/05/1344059805.db2.gz USWJCXMJWVLABE-RBUKOAKNSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037237157 1344060273 /nfs/dbraw/zinc/06/02/73/1344060273.db2.gz USWJCXMJWVLABE-OALUTQOASA-N 2 0 349.563 3.029 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037240244 1344062254 /nfs/dbraw/zinc/06/22/54/1344062254.db2.gz WGJCZKKEOAPENL-WOJBJXKFSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1[NH2+]CC(C)C ZINC001037853378 1344139685 /nfs/dbraw/zinc/13/96/85/1344139685.db2.gz IJOQQBFSVWDHAI-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037923910 1344183658 /nfs/dbraw/zinc/18/36/58/1344183658.db2.gz GDCCAAKDNIEJAZ-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037927394 1344185907 /nfs/dbraw/zinc/18/59/07/1344185907.db2.gz ANQUEHVSCDYQAC-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037964360 1344208109 /nfs/dbraw/zinc/20/81/09/1344208109.db2.gz STFJYCXAPVENFN-UYAOXDASSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1[NH2+]C(C)C ZINC001037991996 1344224852 /nfs/dbraw/zinc/22/48/52/1344224852.db2.gz SLQBJBLMGQZHKV-SJLPKXTDSA-N 2 0 349.519 3.360 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038320197 1344378272 /nfs/dbraw/zinc/37/82/72/1344378272.db2.gz HGXYLUYJENJQSG-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1=CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038354559 1344395221 /nfs/dbraw/zinc/39/52/21/1344395221.db2.gz UMLWEMCICTUOSQ-VQTJNVASSA-N 2 0 345.531 3.084 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038406158 1344414392 /nfs/dbraw/zinc/41/43/92/1344414392.db2.gz ASWNNJILUAFMNI-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038621664 1344509515 /nfs/dbraw/zinc/50/95/15/1344509515.db2.gz GHOBFTMPYXNUIF-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140095 1344820554 /nfs/dbraw/zinc/82/05/54/1344820554.db2.gz QLTGOTYIGVCTED-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039141136 1344821175 /nfs/dbraw/zinc/82/11/75/1344821175.db2.gz QWUDRSYHRZQMQF-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039215909 1344932630 /nfs/dbraw/zinc/93/26/30/1344932630.db2.gz WWNILXOCJAFJPZ-ICSRJNTNSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039216646 1344933251 /nfs/dbraw/zinc/93/32/51/1344933251.db2.gz CEKDJKGRCQDADS-HKUYNNGSSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241748 1344967021 /nfs/dbraw/zinc/96/70/21/1344967021.db2.gz IBEJKDXEFGNFDL-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039258572 1344986715 /nfs/dbraw/zinc/98/67/15/1344986715.db2.gz XZVCSEVASYXIBT-UXHICEINSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397620 1345045316 /nfs/dbraw/zinc/04/53/16/1345045316.db2.gz QPCRZKGPZYTRQJ-MSOLQXFVSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447748 1345072259 /nfs/dbraw/zinc/07/22/59/1345072259.db2.gz IGHXBQAXWZIPAW-HSALFYBXSA-N 2 0 349.563 3.361 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001039652849 1345153389 /nfs/dbraw/zinc/15/33/89/1345153389.db2.gz RNCDRJGUMLOUCZ-AQNXPRMDSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001039914428 1345245233 /nfs/dbraw/zinc/24/52/33/1345245233.db2.gz PRAOEGDOAVNJSZ-YSIASYRMSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393319 1345473375 /nfs/dbraw/zinc/47/33/75/1345473375.db2.gz ATAAJECZRMFCEQ-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433185 1345496193 /nfs/dbraw/zinc/49/61/93/1345496193.db2.gz UIDIBSZPGVPQJC-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040493952 1345519868 /nfs/dbraw/zinc/51/98/68/1345519868.db2.gz RJVKEOJLPXOEBU-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545416 1345539801 /nfs/dbraw/zinc/53/98/01/1345539801.db2.gz PRDAJFSLSLKVJY-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849290 1345588012 /nfs/dbraw/zinc/58/80/12/1345588012.db2.gz PSYNOOCBPZVEIL-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001040946011 1345606174 /nfs/dbraw/zinc/60/61/74/1345606174.db2.gz ARWHGEKODXDGKS-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286708 1345694480 /nfs/dbraw/zinc/69/44/80/1345694480.db2.gz MLKLUFAFMVPYTE-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433180 1345726731 /nfs/dbraw/zinc/72/67/31/1345726731.db2.gz WBMIXQPZOQAWRC-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001041725673 1345832715 /nfs/dbraw/zinc/83/27/15/1345832715.db2.gz PNPBGFWFXDFRJZ-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845495 1345871538 /nfs/dbraw/zinc/87/15/38/1345871538.db2.gz FSBUJQJZVIOOJX-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]3CC[N@H+](CCC(C)(C)C)[C@@H]3C2)CC1 ZINC001042257013 1346007478 /nfs/dbraw/zinc/00/74/78/1346007478.db2.gz CKKPCOYTKSBLTN-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1C[NH+](CC2CCCCC2)C1 ZINC001044333161 1346300550 /nfs/dbraw/zinc/30/05/50/1346300550.db2.gz LSXISWXQDQSMCX-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001044656307 1346394990 /nfs/dbraw/zinc/39/49/90/1346394990.db2.gz BXOQEWRBECXZEA-YJBOKZPZSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825798 1346436220 /nfs/dbraw/zinc/43/62/20/1346436220.db2.gz WHALIHZVXYGQBK-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044879267 1346453154 /nfs/dbraw/zinc/45/31/54/1346453154.db2.gz OPXOFPXCKKAWBU-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)cs1 ZINC001045034233 1346483895 /nfs/dbraw/zinc/48/38/95/1346483895.db2.gz KKHVRMOMXROUAT-ROUUACIJSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045068773 1346489256 /nfs/dbraw/zinc/48/92/56/1346489256.db2.gz QINOCNFQKKWASV-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045068447 1346489411 /nfs/dbraw/zinc/48/94/11/1346489411.db2.gz LZRHODAFDCDKGM-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045390139 1346580719 /nfs/dbraw/zinc/58/07/19/1346580719.db2.gz ORVNDXCNNRCYBH-MOPGFXCFSA-N 2 0 343.515 3.203 20 0 EGADRP CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CC2CC2)CC1 ZINC001045442244 1346594615 /nfs/dbraw/zinc/59/46/15/1346594615.db2.gz PXRHAVZDJKMNQV-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC001045544260 1346624698 /nfs/dbraw/zinc/62/46/98/1346624698.db2.gz BCURPCJDIVPFKH-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045589913 1346638885 /nfs/dbraw/zinc/63/88/85/1346638885.db2.gz PHLDXUXRXSXASX-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC[C@@H](F)C[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045646123 1346657777 /nfs/dbraw/zinc/65/77/77/1346657777.db2.gz DNBGMJFICHRRLD-GOSISDBHSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045776625 1346695835 /nfs/dbraw/zinc/69/58/35/1346695835.db2.gz YYSMFRFRQBKSJM-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1)C1CCC1 ZINC001045794872 1346700337 /nfs/dbraw/zinc/70/03/37/1346700337.db2.gz DFDDBWNPBHRBID-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001045849628 1346719965 /nfs/dbraw/zinc/71/99/65/1346719965.db2.gz PTHUSYIWHCSNLK-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001045847632 1346720155 /nfs/dbraw/zinc/72/01/55/1346720155.db2.gz LMPVDBZZGMHFAG-SXLOBPIMSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046314293 1346931316 /nfs/dbraw/zinc/93/13/16/1346931316.db2.gz AXRZALJCFNLNLC-TZIWHRDSSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700561 1357350525 /nfs/dbraw/zinc/35/05/25/1357350525.db2.gz DBLMJXBQMZUYIV-WSTZPKSXSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048294287 1347511150 /nfs/dbraw/zinc/51/11/50/1347511150.db2.gz DVCONGBPDJUCJC-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048526815 1347578132 /nfs/dbraw/zinc/57/81/32/1347578132.db2.gz MRKBWMHZKZGYLC-IYWMVGAKSA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545534 1347587260 /nfs/dbraw/zinc/58/72/60/1347587260.db2.gz BDWQYIIIRQNCQD-VBUUOAMHSA-N 2 0 340.471 3.107 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048573880 1347600244 /nfs/dbraw/zinc/60/02/44/1347600244.db2.gz HEAQNMZOSBZAAU-OBKDMQGPSA-N 2 0 347.547 3.163 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583230 1347605543 /nfs/dbraw/zinc/60/55/43/1347605543.db2.gz GZDLNOOZECDUPS-SWBPCFCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC001049370615 1347808058 /nfs/dbraw/zinc/80/80/58/1347808058.db2.gz XFLJJWIJJCZMLP-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049702595 1347981101 /nfs/dbraw/zinc/98/11/01/1347981101.db2.gz IHDUVGJOCBGRHL-HSALFYBXSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049726131 1347991282 /nfs/dbraw/zinc/99/12/82/1347991282.db2.gz CPIBONFWKGIVEC-SLFFLAALSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CC1 ZINC001049767123 1348010506 /nfs/dbraw/zinc/01/05/06/1348010506.db2.gz NSYSPKLFZXYPKU-XUVXKRRUSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768089 1348011396 /nfs/dbraw/zinc/01/13/96/1348011396.db2.gz SKUKAKGKAHRMOY-XUVXKRRUSA-N 2 0 347.547 3.281 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821175 1348038140 /nfs/dbraw/zinc/03/81/40/1348038140.db2.gz UFBNJMGCUFUALJ-PMACEKPBSA-N 2 0 347.547 3.138 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H](C)CC)CC3)C1 ZINC001050630177 1348308630 /nfs/dbraw/zinc/30/86/30/1348308630.db2.gz LIVHCQVVAVDTIW-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050687075 1348327220 /nfs/dbraw/zinc/32/72/20/1348327220.db2.gz GAFDIGMHGFQDEG-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052377137 1348535100 /nfs/dbraw/zinc/53/51/00/1348535100.db2.gz NPALFUUUZMXQDP-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052516674 1348564318 /nfs/dbraw/zinc/56/43/18/1348564318.db2.gz QHNQRWLVGMKRHK-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001052680587 1348628165 /nfs/dbraw/zinc/62/81/65/1348628165.db2.gz PHMDEUMTWBMRGN-QLOJAFMTSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)CC2)CC1 ZINC001052767164 1348670967 /nfs/dbraw/zinc/67/09/67/1348670967.db2.gz SYDBPPVERYSWFR-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052868894 1348710440 /nfs/dbraw/zinc/71/04/40/1348710440.db2.gz YLYGDXKFVWXWFT-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052868892 1348710675 /nfs/dbraw/zinc/71/06/75/1348710675.db2.gz YLYGDXKFVWXWFT-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052985958 1348789330 /nfs/dbraw/zinc/78/93/30/1348789330.db2.gz BKFDNRWDLLLORZ-RLLQIKCJSA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001053089535 1348915499 /nfs/dbraw/zinc/91/54/99/1348915499.db2.gz BSFNLYPINRPSBM-VQIMIIECSA-N 2 0 340.471 3.061 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227115 1349220717 /nfs/dbraw/zinc/22/07/17/1349220717.db2.gz DEMZBBSZAULADY-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054242455 1349235599 /nfs/dbraw/zinc/23/55/99/1349235599.db2.gz AKCJGQQRYYDQMJ-NRFANRHFSA-N 2 0 343.515 3.085 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)cc2C1 ZINC001054269579 1349267462 /nfs/dbraw/zinc/26/74/62/1349267462.db2.gz FVOZIYWSOGBWEC-PMACEKPBSA-N 2 0 341.499 3.045 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285312 1349287194 /nfs/dbraw/zinc/28/71/94/1349287194.db2.gz CQNYWBVFZXWKMN-VQTJNVASSA-N 2 0 341.499 3.044 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001054296782 1349301982 /nfs/dbraw/zinc/30/19/82/1349301982.db2.gz KXAYGRSYIDVWTH-HDMKZQKVSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001054854575 1349489691 /nfs/dbraw/zinc/48/96/91/1349489691.db2.gz WGQHUGQPJJPHQW-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Br)[nH]1)CC2 ZINC001232690735 1376504107 /nfs/dbraw/zinc/50/41/07/1376504107.db2.gz QMEYBPGDHQIPMQ-UHFFFAOYSA-N 2 0 326.282 3.085 20 0 EGADRP CCOc1ccc(C[N@H+](CC)C2CC[NH2+]CC2)cc1Br ZINC001235764506 1376890069 /nfs/dbraw/zinc/89/00/69/1376890069.db2.gz HRQGBIIAULZPMB-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071628180 1354811093 /nfs/dbraw/zinc/81/10/93/1354811093.db2.gz NYTNFVIZPOTYBL-DOTOQJQBSA-N 2 0 340.471 3.192 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001071627413 1354811998 /nfs/dbraw/zinc/81/19/98/1354811998.db2.gz FJSZXWJAWWLYOI-WMLDXEAASA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCCC1CCC1 ZINC001071734810 1354887217 /nfs/dbraw/zinc/88/72/17/1354887217.db2.gz AXGHZUVYEPYFMZ-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@H+](CCCC3CCC3)C2)CC1 ZINC001071920876 1355025933 /nfs/dbraw/zinc/02/59/33/1355025933.db2.gz YRFHVYOXNBJKGY-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CCCC1CCCC1 ZINC001071996258 1355065671 /nfs/dbraw/zinc/06/56/71/1355065671.db2.gz PQDVTAZJCKIXRP-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001072309950 1355232422 /nfs/dbraw/zinc/23/24/22/1355232422.db2.gz OUPFRYIWJDEPOS-IAGOWNOFSA-N 2 0 337.552 3.122 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001074060734 1356060526 /nfs/dbraw/zinc/06/05/26/1356060526.db2.gz VPMOSGSPIJYSRX-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001074102117 1356084985 /nfs/dbraw/zinc/08/49/85/1356084985.db2.gz YHGZKFCTRBPBDP-LJQANCHMSA-N 2 0 331.504 3.083 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)C(C)C)o1 ZINC001074103020 1356085347 /nfs/dbraw/zinc/08/53/47/1356085347.db2.gz MKUDXICRJBRLFJ-QGZVFWFLSA-N 2 0 349.519 3.456 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)c1ccc(Cl)cc1 ZINC001074803692 1356248163 /nfs/dbraw/zinc/24/81/63/1356248163.db2.gz KNDNYNBWGXWVIJ-IDCJVQTKSA-N 2 0 349.906 3.074 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461632 1356395242 /nfs/dbraw/zinc/39/52/42/1356395242.db2.gz NGOYVTSBUHERGA-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098373 1363621221 /nfs/dbraw/zinc/62/12/21/1363621221.db2.gz OMBSIQLOPLJAFN-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]Cc1ccc(C)cc1 ZINC001323158361 1387304078 /nfs/dbraw/zinc/30/40/78/1387304078.db2.gz ICHTYENILHVTTK-PMACEKPBSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084405656 1358207445 /nfs/dbraw/zinc/20/74/45/1358207445.db2.gz XILXCPIBPWORHM-CEXWTWQISA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603816 1358254945 /nfs/dbraw/zinc/25/49/45/1358254945.db2.gz MNEQSRUBEVHYMG-MISYRCLQSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072664 1358383457 /nfs/dbraw/zinc/38/34/57/1358383457.db2.gz NNFQNAZVHXKIPD-AQNXPRMDSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085217457 1358436280 /nfs/dbraw/zinc/43/62/80/1358436280.db2.gz BUAHQUBXOPKBJC-KURKYZTESA-N 2 0 349.544 3.140 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001085423467 1358495593 /nfs/dbraw/zinc/49/55/93/1358495593.db2.gz RPGQXELULZTGAS-DFQSSKMNSA-N 2 0 343.515 3.169 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001085422164 1358495714 /nfs/dbraw/zinc/49/57/14/1358495714.db2.gz JXBWTCWLCWGAKB-GUDVDZBRSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085687562 1358687677 /nfs/dbraw/zinc/68/76/77/1358687677.db2.gz QQDHTKYBNAJXIH-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725663 1358714449 /nfs/dbraw/zinc/71/44/49/1358714449.db2.gz CGIMVLOCYVHFJL-IBGZPJMESA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085854869 1358822557 /nfs/dbraw/zinc/82/25/57/1358822557.db2.gz JPNLQZUHXOEZCK-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856170 1358823566 /nfs/dbraw/zinc/82/35/66/1358823566.db2.gz SRTDQHOFSCWSLW-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001086148918 1359008995 /nfs/dbraw/zinc/00/89/95/1359008995.db2.gz HZWXUUAZFYABLV-MDZRGWNJSA-N 2 0 348.450 3.194 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086253730 1359043034 /nfs/dbraw/zinc/04/30/34/1359043034.db2.gz SIRMINBPTABSSD-HAGHYFMRSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086253660 1359043149 /nfs/dbraw/zinc/04/31/49/1359043149.db2.gz PPQIKAGLMOWDGI-ZRNYENFQSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921513 1359248283 /nfs/dbraw/zinc/24/82/83/1359248283.db2.gz RJJPEPTWIQPVLH-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939656 1359262176 /nfs/dbraw/zinc/26/21/76/1359262176.db2.gz WLZJGOQKNHOBRE-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947449 1359268935 /nfs/dbraw/zinc/26/89/35/1359268935.db2.gz YNGHFMRBKCDRAD-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086950791 1359270975 /nfs/dbraw/zinc/27/09/75/1359270975.db2.gz KZJMMXYVEXVNFF-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CCCCC1 ZINC001087570034 1359535800 /nfs/dbraw/zinc/53/58/00/1359535800.db2.gz XZCLWCVLVQOOIU-ZCNNSNEGSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CCC(C)C ZINC001087602465 1359550288 /nfs/dbraw/zinc/55/02/88/1359550288.db2.gz QWIHNRLRNBUKBO-XUVXKRRUSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC1CCCC1 ZINC001087725822 1359613412 /nfs/dbraw/zinc/61/34/12/1359613412.db2.gz FNYZWQRDZJDKCO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CCC(C)C ZINC001087749623 1359626503 /nfs/dbraw/zinc/62/65/03/1359626503.db2.gz RUZPLLACOAGLAO-IPMKNSEASA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762680 1359632660 /nfs/dbraw/zinc/63/26/60/1359632660.db2.gz HRFWUVJWKNTRAY-LSTHTHJFSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087780912 1359641451 /nfs/dbraw/zinc/64/14/51/1359641451.db2.gz HKHACMQQWHNFNP-NZSAHSFTSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1CC ZINC001087792058 1359648524 /nfs/dbraw/zinc/64/85/24/1359648524.db2.gz LAZAOFUSPGVCEA-XUVXKRRUSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CC1CCCC1 ZINC001087840756 1359674920 /nfs/dbraw/zinc/67/49/20/1359674920.db2.gz MODIOWAWWYDGKA-OTWHNJEPSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)C1 ZINC001323636575 1387413623 /nfs/dbraw/zinc/41/36/23/1387413623.db2.gz FFCLHBHNUNWOQX-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109643 1359759127 /nfs/dbraw/zinc/75/91/27/1359759127.db2.gz PSNLEPRPCOQABC-AABGKKOBSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088369099 1359852879 /nfs/dbraw/zinc/85/28/79/1359852879.db2.gz AKZVLMGSLQZSML-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088381631 1359865309 /nfs/dbraw/zinc/86/53/09/1359865309.db2.gz JEODMZPGRCCHDO-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001088426507 1359894766 /nfs/dbraw/zinc/89/47/66/1359894766.db2.gz WVNPAHSXNHYAFT-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001088430284 1359897369 /nfs/dbraw/zinc/89/73/69/1359897369.db2.gz LIBWNBWJCSRICU-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C[C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC001323709208 1387427674 /nfs/dbraw/zinc/42/76/74/1387427674.db2.gz QVBNIIVPWAFDOX-GOSISDBHSA-N 2 0 341.499 3.441 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088605005 1359988362 /nfs/dbraw/zinc/98/83/62/1359988362.db2.gz CJDMYQCJOVOSFP-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(CC)CC)[C@@H]2C)C1 ZINC001088810070 1360058799 /nfs/dbraw/zinc/05/87/99/1360058799.db2.gz CPCOGUCGLFZTLY-QRQLOZEOSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897700 1360097148 /nfs/dbraw/zinc/09/71/48/1360097148.db2.gz TYOFJYWTBSRTGY-GGPKGHCWSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001089252735 1360284324 /nfs/dbraw/zinc/28/43/24/1360284324.db2.gz VBLUPJYWVBJTKP-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334747 1360347942 /nfs/dbraw/zinc/34/79/42/1360347942.db2.gz KGBQOKOFBTVTTK-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441674 1360431406 /nfs/dbraw/zinc/43/14/06/1360431406.db2.gz JOHVKWUIXWJSTH-QGZVFWFLSA-N 2 0 342.487 3.211 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558586 1360507328 /nfs/dbraw/zinc/50/73/28/1360507328.db2.gz IZKHTWWVFXSZOD-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089647047 1360559785 /nfs/dbraw/zinc/55/97/85/1360559785.db2.gz RTCYWPMFYRZXJZ-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705775 1360608022 /nfs/dbraw/zinc/60/80/22/1360608022.db2.gz JJVQDGIEBJPAFZ-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089734184 1360638600 /nfs/dbraw/zinc/63/86/00/1360638600.db2.gz LDPZLVMTZTZSEJ-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC001323856599 1387475690 /nfs/dbraw/zinc/47/56/90/1387475690.db2.gz CEZCNBAKSPKFNY-DBXWQHBBSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091206147 1361007507 /nfs/dbraw/zinc/00/75/07/1361007507.db2.gz ASTLTSFOCXDFKX-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091267471 1361027065 /nfs/dbraw/zinc/02/70/65/1361027065.db2.gz MKYPIDAXQDDJBY-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC2CC([NH2+]CC3CCCC3)C2)cc1 ZINC001091280867 1361029888 /nfs/dbraw/zinc/02/98/88/1361029888.db2.gz TZORIZKXRVIQQP-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184557217 1387491738 /nfs/dbraw/zinc/49/17/38/1387491738.db2.gz UHEYPCQXOFTMGN-YMHTTXFNSA-N 2 0 349.563 3.291 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CCCCC1 ZINC001184609954 1387499993 /nfs/dbraw/zinc/49/99/93/1387499993.db2.gz YZRXQWBBBVYMTH-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184609247 1387500055 /nfs/dbraw/zinc/50/00/55/1387500055.db2.gz JLNDSSHXIBNPTR-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184627990 1387501273 /nfs/dbraw/zinc/50/12/73/1387501273.db2.gz BNILBPFQNHVKNI-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001184694829 1387512107 /nfs/dbraw/zinc/51/21/07/1387512107.db2.gz ZQUBGBVOWCRZJW-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907287 1361484262 /nfs/dbraw/zinc/48/42/62/1361484262.db2.gz CKFMCJVWFFEXPZ-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184822934 1387545219 /nfs/dbraw/zinc/54/52/19/1387545219.db2.gz XCHHHLHVZCGFKF-DLBZAZTESA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095404806 1362129893 /nfs/dbraw/zinc/12/98/93/1362129893.db2.gz APKFZAWZOKDPDY-FYQPLNBISA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCC2)CC1 ZINC001096269388 1362452294 /nfs/dbraw/zinc/45/22/94/1362452294.db2.gz QXXILSLCCXGTRI-AABGKKOBSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001185032511 1387592564 /nfs/dbraw/zinc/59/25/64/1387592564.db2.gz ZPUGEHHLLOSYMA-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185053593 1387600483 /nfs/dbraw/zinc/60/04/83/1387600483.db2.gz UPZVQGGWJMXRBU-XSAZBNQGSA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001098812138 1363477631 /nfs/dbraw/zinc/47/76/31/1363477631.db2.gz AACJEFZHWZJQLK-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H](C[C@H]([NH2+]CC2CC2)C2CCCC2)C1 ZINC001098821326 1363482223 /nfs/dbraw/zinc/48/22/23/1363482223.db2.gz ODJSTUXPANQBCV-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098975122 1363549293 /nfs/dbraw/zinc/54/92/93/1363549293.db2.gz DNCQIQMXUIMFHS-JNVNVXKGSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115744 1363632540 /nfs/dbraw/zinc/63/25/40/1363632540.db2.gz IZQKSFWPOYCHAT-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099116805 1363633347 /nfs/dbraw/zinc/63/33/47/1363633347.db2.gz WGDQOROCTAHZLW-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099198430 1363687625 /nfs/dbraw/zinc/68/76/25/1363687625.db2.gz AQPANSUHLFZNMX-LKGOPFMKSA-N 2 0 337.552 3.291 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099204293 1363691145 /nfs/dbraw/zinc/69/11/45/1363691145.db2.gz YBTNITFYQXRLTQ-RURPWVQCSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215369 1363696641 /nfs/dbraw/zinc/69/66/41/1363696641.db2.gz UCUAAPNDJAGICI-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCCC1 ZINC001099215653 1363696694 /nfs/dbraw/zinc/69/66/94/1363696694.db2.gz YDRHSJFWNFKMDR-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](F)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310325 1363742994 /nfs/dbraw/zinc/74/29/94/1363742994.db2.gz JTVUMQQDRVMNSN-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099310400 1363743315 /nfs/dbraw/zinc/74/33/15/1363743315.db2.gz LCGQCCCLZSDXIF-DUMMIQTOSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099520890 1363831157 /nfs/dbraw/zinc/83/11/57/1363831157.db2.gz PFJADNSWMTUKLR-MUGJNUQGSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001100335338 1364082961 /nfs/dbraw/zinc/08/29/61/1364082961.db2.gz VSWCQXJCDDPWAF-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406722 1364104135 /nfs/dbraw/zinc/10/41/35/1364104135.db2.gz KJOHPSIVGGKKBS-LKFCSYKXSA-N 2 0 335.536 3.090 20 0 EGADRP CC[C@@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001100407774 1364104820 /nfs/dbraw/zinc/10/48/20/1364104820.db2.gz JAESRCBSYSQBRR-OUNSHVDWSA-N 2 0 343.515 3.106 20 0 EGADRP O=C(NCC1CC([NH2+]CCCC2CCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001100506904 1364139992 /nfs/dbraw/zinc/13/99/92/1364139992.db2.gz MMJRTWVHWAQQGD-UHFFFAOYSA-N 2 0 340.471 3.013 20 0 EGADRP C[C@@H]([NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001100563839 1364164460 /nfs/dbraw/zinc/16/44/60/1364164460.db2.gz XUPBSBSJHCKLIV-LRYGQEGESA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100601843 1364184555 /nfs/dbraw/zinc/18/45/55/1364184555.db2.gz GWZMWVHGAMYCCO-AFMYVXGZSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100614147 1364188847 /nfs/dbraw/zinc/18/88/47/1364188847.db2.gz GAGLKLBCYOIDAJ-UHFFFAOYSA-N 2 0 349.519 3.266 20 0 EGADRP CC[C@@H]([NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001100620964 1364192553 /nfs/dbraw/zinc/19/25/53/1364192553.db2.gz GKXRYRNJNNPCDN-XUJQIHCRSA-N 2 0 349.494 3.103 20 0 EGADRP C[N@H+](CC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001100681900 1364216331 /nfs/dbraw/zinc/21/63/31/1364216331.db2.gz XBWUSZUVRVPGBP-UHFFFAOYSA-N 2 0 349.563 3.339 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681901 1364216478 /nfs/dbraw/zinc/21/64/78/1364216478.db2.gz XFHMJXMTWPTNJM-CMDGGOBGSA-N 2 0 337.552 3.195 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729413 1364238235 /nfs/dbraw/zinc/23/82/35/1364238235.db2.gz FIGJKNCWQKSYMV-ACBHZAAOSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100731984 1364239353 /nfs/dbraw/zinc/23/93/53/1364239353.db2.gz OEYGJIQYQLXCLM-YLURFPHXSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001100756737 1364248018 /nfs/dbraw/zinc/24/80/18/1364248018.db2.gz LFWPSGHQRGYYRW-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100996941 1364362930 /nfs/dbraw/zinc/36/29/30/1364362930.db2.gz NIXODYJMXARDNS-SNAWJCMRSA-N 2 0 349.563 3.483 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101314330 1364506362 /nfs/dbraw/zinc/50/63/62/1364506362.db2.gz YVBXZWGVOJPUHZ-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101435321 1364562037 /nfs/dbraw/zinc/56/20/37/1364562037.db2.gz JDLKHSMRPICPQF-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464650 1364572935 /nfs/dbraw/zinc/57/29/35/1364572935.db2.gz RNJWAGMHGCWWJO-CTNGQTDRSA-N 2 0 349.563 3.223 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040552 1364820711 /nfs/dbraw/zinc/82/07/11/1364820711.db2.gz NKEXOCDNDJOYHF-AHSYYPKJSA-N 2 0 349.563 3.005 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046195 1364822803 /nfs/dbraw/zinc/82/28/03/1364822803.db2.gz RSDZLKKXUWWSOO-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC001324640992 1387713511 /nfs/dbraw/zinc/71/35/11/1387713511.db2.gz HJNQFUUNOXKMKD-YVRYJGMNSA-N 2 0 343.515 3.012 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357770 1365021057 /nfs/dbraw/zinc/02/10/57/1365021057.db2.gz IOSNXSACBLTZIV-QHDCNBPGSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102598885 1365131664 /nfs/dbraw/zinc/13/16/64/1365131664.db2.gz FIIAFQPINHVOJG-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001185471203 1387724081 /nfs/dbraw/zinc/72/40/81/1387724081.db2.gz MEEAPQUGFTXSES-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001102987590 1365328539 /nfs/dbraw/zinc/32/85/39/1365328539.db2.gz IOZWZTZARKSFEG-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087783 1365374143 /nfs/dbraw/zinc/37/41/43/1365374143.db2.gz NPZITLHIBTYWRG-LAWBKWBHSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001103168444 1365418794 /nfs/dbraw/zinc/41/87/94/1365418794.db2.gz JCMJZZOCMJWIEG-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185650 1365425428 /nfs/dbraw/zinc/42/54/28/1365425428.db2.gz JAGLHVRAWSFYCH-XOIGSVRCSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103408468 1365542914 /nfs/dbraw/zinc/54/29/14/1365542914.db2.gz CNKARBMTYIUJOO-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001185609119 1387760447 /nfs/dbraw/zinc/76/04/47/1387760447.db2.gz DBZREUFUMTVCOZ-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001103773815 1365777575 /nfs/dbraw/zinc/77/75/75/1365777575.db2.gz SMPXXWOABMHARD-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196348 1365947764 /nfs/dbraw/zinc/94/77/64/1365947764.db2.gz SODRRUGGCDPYAK-QRVBRYPASA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385345 1365997521 /nfs/dbraw/zinc/99/75/21/1365997521.db2.gz QSNPXEDOWSHHOO-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185751344 1387790487 /nfs/dbraw/zinc/79/04/87/1387790487.db2.gz PFPCKHCTQUWBKX-MSOLQXFVSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001185779644 1387798030 /nfs/dbraw/zinc/79/80/30/1387798030.db2.gz QFWSANOLXOLEEQ-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105066671 1366303980 /nfs/dbraw/zinc/30/39/80/1366303980.db2.gz BBIXPVAJTZHVRU-GUDVDZBRSA-N 2 0 339.568 3.083 20 0 EGADRP CC[C@@H](C(=O)NCC1(C)CC[NH+](Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001324886094 1387805615 /nfs/dbraw/zinc/80/56/15/1387805615.db2.gz GMQPKFWOPSNCMU-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518299 1366505217 /nfs/dbraw/zinc/50/52/17/1366505217.db2.gz WFBWLPRLCSJKND-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544917 1366522231 /nfs/dbraw/zinc/52/22/31/1366522231.db2.gz YSXXMSDPOBTBPX-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC(C[NH2+]CC2([C@H]3CCCCN3C(=O)CC[NH+](C)C)CCC2)C1 ZINC001105561431 1366531042 /nfs/dbraw/zinc/53/10/42/1366531042.db2.gz LWOYIJSIISTSSL-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CCC1 ZINC001105563056 1366532186 /nfs/dbraw/zinc/53/21/86/1366532186.db2.gz BWADOWFLOBPIFY-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105577747 1366542103 /nfs/dbraw/zinc/54/21/03/1366542103.db2.gz ZIHGPCKCYKZADN-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001105941949 1366600624 /nfs/dbraw/zinc/60/06/24/1366600624.db2.gz RTWINCPJTXPCFB-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106247100 1366633471 /nfs/dbraw/zinc/63/34/71/1366633471.db2.gz VKQUVWSXLWCVHN-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106254960 1366634874 /nfs/dbraw/zinc/63/48/74/1366634874.db2.gz CPRNNNAOBGLCDZ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436521 1366963114 /nfs/dbraw/zinc/96/31/14/1366963114.db2.gz BFROQUJXUDYBFX-YHTLKTDXSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2)C1CCC1 ZINC001107438930 1366963622 /nfs/dbraw/zinc/96/36/22/1366963622.db2.gz NCNSRBMJONNRQP-TZIWHRDSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442357 1366965109 /nfs/dbraw/zinc/96/51/09/1366965109.db2.gz CRLCEWFHZGWNAT-SFHLNBCPSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442636 1366965145 /nfs/dbraw/zinc/96/51/45/1366965145.db2.gz HHYSGKUYJHZITA-QWFCFKBJSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444682 1366965687 /nfs/dbraw/zinc/96/56/87/1366965687.db2.gz VRSZTFOGMSYXJM-WSTZPKSXSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455105 1366969453 /nfs/dbraw/zinc/96/94/53/1366969453.db2.gz WTESEZYHGVPVKH-MBOZVWFJSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107488772 1366990413 /nfs/dbraw/zinc/99/04/13/1366990413.db2.gz WXKBOZVFTAWZQU-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@]2(C)CCC[N@H+](CC3CC3)C2)CCCCC1 ZINC001324947974 1387844158 /nfs/dbraw/zinc/84/41/58/1387844158.db2.gz NRQKCNULZODAPJ-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2)[NH+](C)C ZINC001107555256 1367040479 /nfs/dbraw/zinc/04/04/79/1367040479.db2.gz ZXCRGSQXLPXQQC-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109306142 1367048148 /nfs/dbraw/zinc/04/81/48/1367048148.db2.gz VELGCFPSJDOKCU-MAIDMGPTSA-N 2 0 347.547 3.185 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107617698 1367076687 /nfs/dbraw/zinc/07/66/87/1367076687.db2.gz ORFIBKDHVAQMOD-UYAOXDASSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109397297 1367104357 /nfs/dbraw/zinc/10/43/57/1367104357.db2.gz VTJASIWYVFNGHO-YRPNKDGESA-N 2 0 349.563 3.122 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001109417616 1367112081 /nfs/dbraw/zinc/11/20/81/1367112081.db2.gz HVICFXZEPHZQFZ-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419540 1367112830 /nfs/dbraw/zinc/11/28/30/1367112830.db2.gz URRVKVRZWJSQMU-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109463903 1367137983 /nfs/dbraw/zinc/13/79/83/1367137983.db2.gz BWHLEMNYADIAKG-JZDUDEBISA-N 2 0 335.536 3.185 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](CCC2CCCC2)C1 ZINC001324971182 1387858413 /nfs/dbraw/zinc/85/84/13/1387858413.db2.gz FPJDKHAJURASMD-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565644 1367201844 /nfs/dbraw/zinc/20/18/44/1367201844.db2.gz WXIUAKOBBGXBGX-BDXSIMOUSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190652760 1367317427 /nfs/dbraw/zinc/31/74/27/1367317427.db2.gz AJOAOSDWWKPIAL-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890352 1367375632 /nfs/dbraw/zinc/37/56/32/1367375632.db2.gz PTXVVZHVQQMJGY-VOFKWLDRSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928120 1367408439 /nfs/dbraw/zinc/40/84/39/1367408439.db2.gz IAPHLWGRDPWJLH-WCIQWLHISA-N 2 0 343.515 3.201 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001191079608 1367419218 /nfs/dbraw/zinc/41/92/18/1367419218.db2.gz BOZFQILHXHFXGU-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cccc(OC[C@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C(C)C)c1 ZINC001191205189 1367445696 /nfs/dbraw/zinc/44/56/96/1367445696.db2.gz ZKOMGAVRIJMMPW-HXUWFJFHSA-N 2 0 348.531 3.321 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007012 1367455377 /nfs/dbraw/zinc/45/53/77/1367455377.db2.gz DJVGFYGJDCXQEU-YRXWBPOGSA-N 2 0 337.552 3.122 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110015110 1367458683 /nfs/dbraw/zinc/45/86/83/1367458683.db2.gz ZHGICIXTNHYHIG-ZIGQXYKSSA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001110016353 1367459400 /nfs/dbraw/zinc/45/94/00/1367459400.db2.gz JTLVRGMNWAUPLZ-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550755 1367525734 /nfs/dbraw/zinc/52/57/34/1367525734.db2.gz GRTJUPDEEKUPLS-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001110159923 1367532694 /nfs/dbraw/zinc/53/26/94/1367532694.db2.gz ZVIQKVLPLZOQOQ-QYZOEREBSA-N 2 0 349.563 3.265 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733774 1367565010 /nfs/dbraw/zinc/56/50/10/1367565010.db2.gz GTEHBBUGLPNTSN-BJLQDIEVSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108764919 1367580651 /nfs/dbraw/zinc/58/06/51/1367580651.db2.gz DLBBURQIJOKZSK-KSZLIROESA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765032 1367581580 /nfs/dbraw/zinc/58/15/80/1367581580.db2.gz HOSLNCPVGJSCLZ-OTWHNJEPSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001108796144 1367601208 /nfs/dbraw/zinc/60/12/08/1367601208.db2.gz DUOSCPCKMOYMBP-FHWLQOOXSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)CCC(C)(C)C)C2)C1 ZINC001191923106 1367640827 /nfs/dbraw/zinc/64/08/27/1367640827.db2.gz QNJHVYQDCCEXPO-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001192317692 1367748275 /nfs/dbraw/zinc/74/82/75/1367748275.db2.gz ULZHHRHMQVPHEY-OALUTQOASA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001192317339 1367748349 /nfs/dbraw/zinc/74/83/49/1367748349.db2.gz SBDDNUCFFWDPKO-PMACEKPBSA-N 2 0 345.531 3.148 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110550494 1367826710 /nfs/dbraw/zinc/82/67/10/1367826710.db2.gz RVTQCEFDSNRFOD-YRXWBPOGSA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566009 1367837099 /nfs/dbraw/zinc/83/70/99/1367837099.db2.gz VCWRHQZFGLTXRB-QRVBRYPASA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192654272 1367843872 /nfs/dbraw/zinc/84/38/72/1367843872.db2.gz FINFXNLJXTUDNA-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671361 1367846163 /nfs/dbraw/zinc/84/61/63/1367846163.db2.gz IVIQZVPREIIVMN-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1O ZINC001192850327 1367887797 /nfs/dbraw/zinc/88/77/97/1367887797.db2.gz WCDLQIJGEMUWPL-WIYYLYMNSA-N 2 0 330.516 3.034 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917708 1367904186 /nfs/dbraw/zinc/90/41/86/1367904186.db2.gz RCRKTOIDBKHPEN-MOPGFXCFSA-N 2 0 339.568 3.322 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)C1CC1 ZINC001110666817 1367906655 /nfs/dbraw/zinc/90/66/55/1367906655.db2.gz WKZDBIJZYZXJJJ-YSTOQKLRSA-N 2 0 347.547 3.019 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001110683104 1367925672 /nfs/dbraw/zinc/92/56/72/1367925672.db2.gz QKCMPDUECVQLBF-MKXGPGLRSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1 ZINC001110734214 1367953267 /nfs/dbraw/zinc/95/32/67/1367953267.db2.gz CUCHYTNYKGAKSY-OWYHZJEWSA-N 2 0 343.515 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C(C)C)C1 ZINC001193279971 1367988604 /nfs/dbraw/zinc/98/86/04/1367988604.db2.gz RXJHSYUXRDAARJ-LJQANCHMSA-N 2 0 345.531 3.185 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001193389701 1368017386 /nfs/dbraw/zinc/01/73/86/1368017386.db2.gz GMNYMBQVEWJAJN-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC2)CCCCC1 ZINC001110857526 1368037126 /nfs/dbraw/zinc/03/71/26/1368037126.db2.gz GGWZWPVFLRGRKN-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500184 1368046778 /nfs/dbraw/zinc/04/67/78/1368046778.db2.gz QUNLTPXMGJGTOM-OZSKJFCKSA-N 2 0 344.503 3.040 20 0 EGADRP C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001194029121 1368170434 /nfs/dbraw/zinc/17/04/34/1368170434.db2.gz AVDQFYVTZYOUME-FXAWDEMLSA-N 2 0 345.531 3.306 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081830 1368179920 /nfs/dbraw/zinc/17/99/20/1368179920.db2.gz XNCSESJTLMGRSY-PXPVJAHISA-N 2 0 335.536 3.142 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226903 1368212318 /nfs/dbraw/zinc/21/23/18/1368212318.db2.gz HURWGMPQZOVQPA-UEKDZROGSA-N 2 0 335.536 3.142 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273899 1368221410 /nfs/dbraw/zinc/22/14/10/1368221410.db2.gz BSLDNDQDGJWMFU-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186355534 1387928092 /nfs/dbraw/zinc/92/80/92/1387928092.db2.gz FFZDKSVMAYJUAP-PXDRNWIDSA-N 2 0 343.515 3.299 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406926 1368254195 /nfs/dbraw/zinc/25/41/95/1368254195.db2.gz DPQSQQLYFQDMKN-KRWDZBQOSA-N 2 0 349.519 3.458 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429884 1368259503 /nfs/dbraw/zinc/25/95/03/1368259503.db2.gz OSHIJEUCZSOUFY-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001111303833 1368260727 /nfs/dbraw/zinc/26/07/27/1368260727.db2.gz BPGSRJMWISYZFA-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](CC)c1ccccc1 ZINC001111312750 1368263277 /nfs/dbraw/zinc/26/32/77/1368263277.db2.gz WBESRURGUWPXCA-ZRNYENFQSA-N 2 0 343.515 3.201 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454033 1368310258 /nfs/dbraw/zinc/31/02/58/1368310258.db2.gz IHMJQZWTVZMIHM-WTGUMLROSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740777 1368437739 /nfs/dbraw/zinc/43/77/39/1368437739.db2.gz NNCQICLFPSTHQE-PTDRADOGSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2)[NH+](C)C ZINC001111875269 1368521640 /nfs/dbraw/zinc/52/16/40/1368521640.db2.gz WEARHUXTJRBCLS-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1=CCCCC1)C2 ZINC001111909550 1368550617 /nfs/dbraw/zinc/55/06/17/1368550617.db2.gz CERODMJBNAKOBL-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196164250 1368561338 /nfs/dbraw/zinc/56/13/38/1368561338.db2.gz ZFXUNEQPZQXZQN-LJQANCHMSA-N 2 0 337.552 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)c1ccccc1)C2 ZINC001111925781 1368564077 /nfs/dbraw/zinc/56/40/77/1368564077.db2.gz JYULRVVEHYNUIJ-CUWPLCDZSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+](CCCC2CCCC2)CC1 ZINC001196349505 1368595679 /nfs/dbraw/zinc/59/56/79/1368595679.db2.gz KIRMKYNSINVQCA-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[NH+](CC)CC ZINC001197134453 1368752327 /nfs/dbraw/zinc/75/23/27/1368752327.db2.gz RAIVWJHSTFZJNR-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330600 1368789660 /nfs/dbraw/zinc/78/96/60/1368789660.db2.gz CCUIWKLUMGJKTR-PXPVJAHISA-N 2 0 335.536 3.142 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396739 1368805800 /nfs/dbraw/zinc/80/58/00/1368805800.db2.gz MFGWQKPLYFIYLZ-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CC/C=C/CC[NH+]1CCCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001197477942 1368822693 /nfs/dbraw/zinc/82/26/93/1368822693.db2.gz QBQHWHPIYFTLRN-VQHVLOKHSA-N 2 0 337.552 3.389 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1)C(C)C ZINC001197485062 1368824055 /nfs/dbraw/zinc/82/40/55/1368824055.db2.gz KSTJUCHZYMMCGI-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[N@H+](CC2CCC(C)(C)CC2)CC1 ZINC001197491212 1368824989 /nfs/dbraw/zinc/82/49/89/1368824989.db2.gz BLFGAAVAICXRGH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001112493291 1368890034 /nfs/dbraw/zinc/89/00/34/1368890034.db2.gz UKXXZRNUSLQCBA-RXVVDRJESA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001112496353 1368892615 /nfs/dbraw/zinc/89/26/15/1368892615.db2.gz SANLIMDDYPHYKT-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197809787 1368903299 /nfs/dbraw/zinc/90/32/99/1368903299.db2.gz INEBUUNWERLDPS-GLCUZYPYSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCCC2)C1 ZINC001112523370 1368912825 /nfs/dbraw/zinc/91/28/25/1368912825.db2.gz PJMAKCDRZYWMIQ-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001112531677 1368916974 /nfs/dbraw/zinc/91/69/74/1368916974.db2.gz KWJGCNUDEOJHKH-SGZWPXLWSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586306 1368938004 /nfs/dbraw/zinc/93/80/04/1368938004.db2.gz SGEITIDITPFFRA-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198135863 1368965609 /nfs/dbraw/zinc/96/56/09/1368965609.db2.gz AZQRIXCATUTXHH-ARJAWSKDSA-N 2 0 335.536 3.143 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001198220971 1368982490 /nfs/dbraw/zinc/98/24/90/1368982490.db2.gz AWVNZESISHDYSH-LXORQPIJSA-N 2 0 335.536 3.140 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220973 1368982936 /nfs/dbraw/zinc/98/29/36/1368982936.db2.gz AWVNZESISHDYSH-SMJNTDKHSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198244366 1368987568 /nfs/dbraw/zinc/98/75/68/1368987568.db2.gz XHBWOZBFYSTINT-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC001325466931 1387983224 /nfs/dbraw/zinc/98/32/24/1387983224.db2.gz DDXGMTBYJMGKCR-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP CC(C)(C)CCC[NH+]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001113521754 1369476538 /nfs/dbraw/zinc/47/65/38/1369476538.db2.gz DUWMNRVFOZHEQA-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](C[C@H](C)CC)CC1 ZINC001113528656 1369478710 /nfs/dbraw/zinc/47/87/10/1369478710.db2.gz KOEWNCDDADOCHX-GOSISDBHSA-N 2 0 325.541 3.079 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001201313544 1369516556 /nfs/dbraw/zinc/51/65/56/1369516556.db2.gz CXCUZXNYWAYMJX-HNNXBMFYSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001201415540 1369540231 /nfs/dbraw/zinc/54/02/31/1369540231.db2.gz CSKCJLKDJSWRQC-RTBURBONSA-N 2 0 336.907 3.424 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CC(C)C)CC2 ZINC001201471419 1369551265 /nfs/dbraw/zinc/55/12/65/1369551265.db2.gz SPVOFQQDRAJNNB-IBGZPJMESA-N 2 0 331.504 3.041 20 0 EGADRP CCC/C=C\CC[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113723530 1369586811 /nfs/dbraw/zinc/58/68/11/1369586811.db2.gz YYKIHFMHJCHKSB-PLNGDYQASA-N 2 0 335.536 3.143 20 0 EGADRP CCN(C)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201673648 1369603540 /nfs/dbraw/zinc/60/35/40/1369603540.db2.gz ZBFLIUBFWDHTPC-UHFFFAOYSA-N 2 0 325.460 3.033 20 0 EGADRP C[NH+](C)CCCn1cc(Nc2cc[nH+]cc2Oc2ccccc2)cn1 ZINC001186847155 1388013650 /nfs/dbraw/zinc/01/36/50/1388013650.db2.gz HPPVRYFRNNBRFO-UHFFFAOYSA-N 2 0 337.427 3.188 20 0 EGADRP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CC[C@H](C)CCC=C(C)C)CC2 ZINC001201974822 1369657175 /nfs/dbraw/zinc/65/71/75/1369657175.db2.gz FQNSAQNDKKRGLO-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001202179512 1369709104 /nfs/dbraw/zinc/70/91/04/1369709104.db2.gz XJUOUZABTNPQMZ-VDZMMWBESA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001202472607 1369782933 /nfs/dbraw/zinc/78/29/33/1369782933.db2.gz ALFLGIFCBYOZSH-YLJYHZDGSA-N 2 0 345.531 3.449 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C(=O)NC1CCCCC1 ZINC001202613954 1369824655 /nfs/dbraw/zinc/82/46/55/1369824655.db2.gz FHWUHIOSKNKRMJ-UHFFFAOYSA-N 2 0 340.556 3.014 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CC1CCC1)CC2 ZINC001202721949 1369865701 /nfs/dbraw/zinc/86/57/01/1369865701.db2.gz KOHPQAXPMSRELK-FQEVSTJZSA-N 2 0 343.515 3.185 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186994808 1388037076 /nfs/dbraw/zinc/03/70/76/1388037076.db2.gz QOXRIRARQHZNCE-CTNGQTDRSA-N 2 0 345.531 3.090 20 0 EGADRP c1nc(-c2ccccc2)sc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001325742708 1388039049 /nfs/dbraw/zinc/03/90/49/1388039049.db2.gz GTZYNSUWSNHQMO-FGTMMUONSA-N 2 0 343.496 3.057 20 0 EGADRP Cc1ncc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001203110204 1369986896 /nfs/dbraw/zinc/98/68/96/1369986896.db2.gz YWMSFDURLSZZRB-IBGZPJMESA-N 2 0 340.471 3.255 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001203124878 1369990834 /nfs/dbraw/zinc/99/08/34/1369990834.db2.gz ZEFDIMHHBOEHBP-NHCUHLMSSA-N 2 0 336.483 3.129 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001203130757 1369992175 /nfs/dbraw/zinc/99/21/75/1369992175.db2.gz GATLLZJPZFGHNU-ZWKOTPCHSA-N 2 0 340.471 3.155 20 0 EGADRP C[N@@H+](Cc1cccc2nonc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001203137358 1369994563 /nfs/dbraw/zinc/99/45/63/1369994563.db2.gz FWOGCVCGTGTDIK-KRWDZBQOSA-N 2 0 336.439 3.177 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034287 1388043345 /nfs/dbraw/zinc/04/33/45/1388043345.db2.gz CGRXESMLUZELMT-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)c2ccccc2[nH+]1 ZINC001203181858 1370013247 /nfs/dbraw/zinc/01/32/47/1370013247.db2.gz IJBQBKLMEWKWND-UHFFFAOYSA-N 2 0 347.462 3.358 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1)c1ccc(F)cc1 ZINC001203213884 1370026750 /nfs/dbraw/zinc/02/67/50/1370026750.db2.gz FPVDTJSZEFQUHP-IBGZPJMESA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCC3)C23CCC3)CCCC1 ZINC001203228874 1370032124 /nfs/dbraw/zinc/03/21/24/1370032124.db2.gz CDHUXQGHKLXGJG-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP CCc1nc(C)c(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)[nH]1 ZINC001203238159 1370035230 /nfs/dbraw/zinc/03/52/30/1370035230.db2.gz KWOZCADJKGPUGT-KDURUIRLSA-N 2 0 338.499 3.153 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203248710 1370040217 /nfs/dbraw/zinc/04/02/17/1370040217.db2.gz JECPEQOCQQAQBW-OSFIAYCASA-N 2 0 347.547 3.234 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001203283879 1370061948 /nfs/dbraw/zinc/06/19/48/1370061948.db2.gz WKIVYWCMOAQCDZ-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203324157 1370082716 /nfs/dbraw/zinc/08/27/16/1370082716.db2.gz FRFCLWAROBNMGY-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330777 1370084656 /nfs/dbraw/zinc/08/46/56/1370084656.db2.gz SFRIROBYOUHZHE-ZHHRLCKPSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001203393471 1370110217 /nfs/dbraw/zinc/11/02/17/1370110217.db2.gz LZABRBVBXFGPAC-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccccc1OC ZINC001203437492 1370126655 /nfs/dbraw/zinc/12/66/55/1370126655.db2.gz DEMBOXHNXNNULQ-UHFFFAOYSA-N 2 0 335.536 3.181 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203505317 1370147289 /nfs/dbraw/zinc/14/72/89/1370147289.db2.gz CHFJXCGENYHKEV-RTBURBONSA-N 2 0 349.563 3.482 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203521115 1370153482 /nfs/dbraw/zinc/15/34/82/1370153482.db2.gz ITAAGKJZZGMJBB-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]C(C)C)C12CCC2 ZINC001203604684 1370184701 /nfs/dbraw/zinc/18/47/01/1370184701.db2.gz HIVVFGVYKMCGNE-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203640516 1370196770 /nfs/dbraw/zinc/19/67/70/1370196770.db2.gz CURIFRAZVSLGRD-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203652729 1370202578 /nfs/dbraw/zinc/20/25/78/1370202578.db2.gz XAECORGTBFPLJY-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203739463 1370243829 /nfs/dbraw/zinc/24/38/29/1370243829.db2.gz FSQBSHAIQZRQOK-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203773296 1370258618 /nfs/dbraw/zinc/25/86/18/1370258618.db2.gz VDMUYZRXWOVUJZ-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772186 1370258748 /nfs/dbraw/zinc/25/87/48/1370258748.db2.gz QGJLZBUPZMBRIT-RTBURBONSA-N 2 0 349.563 3.460 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823188 1370278833 /nfs/dbraw/zinc/27/88/33/1370278833.db2.gz HXPCJIYLFJTJFR-RBUKOAKNSA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001115143927 1370306912 /nfs/dbraw/zinc/30/69/12/1370306912.db2.gz NSFJMKDXIDXJLT-KXTWHKPSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203902575 1370307759 /nfs/dbraw/zinc/30/77/59/1370307759.db2.gz GOFMIEBOBYACNK-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203902660 1370307904 /nfs/dbraw/zinc/30/79/04/1370307904.db2.gz HPXRDCXDAPMFGU-UEKDZROGSA-N 2 0 335.536 3.044 20 0 EGADRP CC1(C)CC(C[NH2+]C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001204062661 1370365210 /nfs/dbraw/zinc/36/52/10/1370365210.db2.gz QOWSIFDHSOSBPQ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)ccc1O ZINC001204134137 1370385920 /nfs/dbraw/zinc/38/59/20/1370385920.db2.gz MNIBRTGULBOIEQ-MRXNPFEDSA-N 2 0 328.412 3.148 20 0 EGADRP CCC[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CCOCC1 ZINC001204272146 1370427987 /nfs/dbraw/zinc/42/79/87/1370427987.db2.gz XPTUMDBMKDQUSA-UHFFFAOYSA-N 2 0 334.504 3.408 20 0 EGADRP COc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(OC)c1C ZINC001204268635 1370428154 /nfs/dbraw/zinc/42/81/54/1370428154.db2.gz YPACFQUPSKGCGS-UHFFFAOYSA-N 2 0 332.488 3.320 20 0 EGADRP CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538388 1370535330 /nfs/dbraw/zinc/53/53/30/1370535330.db2.gz GKHBQZCWQQPMAC-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727689 1370556298 /nfs/dbraw/zinc/55/62/98/1370556298.db2.gz KHYMCHLDQYNCAO-INIZCTEOSA-N 2 0 330.472 3.060 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559738 1370559957 /nfs/dbraw/zinc/55/99/57/1370559957.db2.gz GEOJCAWQYKVWBU-IRXDYDNUSA-N 2 0 343.531 3.121 20 0 EGADRP Fc1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c(F)c1Cl ZINC001204763758 1370571033 /nfs/dbraw/zinc/57/10/33/1370571033.db2.gz QEELPHYHWHLRRP-ZDUSSCGKSA-N 2 0 343.849 3.130 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579386 1370582720 /nfs/dbraw/zinc/58/27/20/1370582720.db2.gz LGBLPFNLIXXPBG-SJORKVTESA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1)[NH+](C)C ZINC001115582006 1370584137 /nfs/dbraw/zinc/58/41/37/1370584137.db2.gz GHSICVWRGIASHC-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115596319 1370597196 /nfs/dbraw/zinc/59/71/96/1370597196.db2.gz ASXOTDOTJIGCRJ-GOSISDBHSA-N 2 0 337.552 3.460 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)CC2([NH+](C)C)CCCC2)CCCCC1 ZINC001115650089 1370638082 /nfs/dbraw/zinc/63/80/82/1370638082.db2.gz LDCAMDNHOUCFHO-UHFFFAOYSA-N 2 0 337.552 3.460 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115708057 1370687465 /nfs/dbraw/zinc/68/74/65/1370687465.db2.gz LLTRFJLBQCUMHM-PLNGDYQASA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205240879 1370692479 /nfs/dbraw/zinc/69/24/79/1370692479.db2.gz PALIXOANSYHJJA-NRFANRHFSA-N 2 0 342.483 3.303 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242592 1370693328 /nfs/dbraw/zinc/69/33/28/1370693328.db2.gz RYYAUUDSEIWWRW-VOFKWLDRSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccccc2C2([NH3+])CCC2)cn1 ZINC001205247625 1370694904 /nfs/dbraw/zinc/69/49/04/1370694904.db2.gz BMCSIUZMSYYWEU-UHFFFAOYSA-N 2 0 325.456 3.417 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc([C@@H]3CC[N@H+](C)C3)cc2)cn1 ZINC001205261933 1370698721 /nfs/dbraw/zinc/69/87/21/1370698721.db2.gz UASZIXKEDRQVON-HXUWFJFHSA-N 2 0 339.483 3.498 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285286 1370706846 /nfs/dbraw/zinc/70/68/46/1370706846.db2.gz VORNEXMAGJEGQV-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115729481 1370711177 /nfs/dbraw/zinc/71/11/77/1370711177.db2.gz HZXKKVKAXOHIOZ-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC001115729477 1370711287 /nfs/dbraw/zinc/71/12/87/1370711287.db2.gz HVNKPMYZSYWNAF-LJQANCHMSA-N 2 0 341.515 3.018 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730245 1370713121 /nfs/dbraw/zinc/71/31/21/1370713121.db2.gz GUWVEULWKRFWOH-PWBPZBFBSA-N 2 0 349.563 3.339 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730439 1370713303 /nfs/dbraw/zinc/71/33/03/1370713303.db2.gz JQPCNMGBYQVIPN-WAYWQWQTSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC001205305873 1370714703 /nfs/dbraw/zinc/71/47/03/1370714703.db2.gz TUBFCMNIOXWJMJ-TZMCWYRMSA-N 2 0 348.288 3.414 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1)[NH+](C)C ZINC001115734190 1370717213 /nfs/dbraw/zinc/71/72/13/1370717213.db2.gz AWMFYPKZRCWZIP-INIZCTEOSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1)[NH+](C)C ZINC001115734458 1370717407 /nfs/dbraw/zinc/71/74/07/1370717407.db2.gz OJSLGUHGBVPPHI-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc3cc(Br)cnc3c2)C[C@@H]1C[NH3+] ZINC001205319355 1370721119 /nfs/dbraw/zinc/72/11/19/1370721119.db2.gz ZGMHIQSNYXOFHN-WFASDCNBSA-N 2 0 348.288 3.414 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205334730 1370725079 /nfs/dbraw/zinc/72/50/79/1370725079.db2.gz QLXLWDULZGMIMN-OYQYDDJWSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CCC2CC2)CCCCC1)[NH+]1CCCCCC1 ZINC001115759385 1370742498 /nfs/dbraw/zinc/74/24/98/1370742498.db2.gz BJABCEKXVXVZJE-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)[NH+]1CCCCCC1 ZINC001115760799 1370744942 /nfs/dbraw/zinc/74/49/42/1370744942.db2.gz TYUIFVAXILISKR-KRWDZBQOSA-N 2 0 341.515 3.019 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420072 1370749080 /nfs/dbraw/zinc/74/90/80/1370749080.db2.gz CHSVIPZISUVXIS-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768908 1370753442 /nfs/dbraw/zinc/75/34/42/1370753442.db2.gz MMWDXPUKKKWASC-ROUUACIJSA-N 2 0 335.536 3.068 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(F)ccc2Br)CC1 ZINC001205545190 1370787109 /nfs/dbraw/zinc/78/71/09/1370787109.db2.gz AGPXSSUCKUIDIG-CQSZACIVSA-N 2 0 333.220 3.241 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1 ZINC001115806321 1370789775 /nfs/dbraw/zinc/78/97/75/1370789775.db2.gz SUKNFMZOFBVTOW-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205570376 1370795300 /nfs/dbraw/zinc/79/53/00/1370795300.db2.gz JHUBHACUMAZSRJ-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205570462 1370795765 /nfs/dbraw/zinc/79/57/65/1370795765.db2.gz KGJSEARMXZFIOL-LJQANCHMSA-N 2 0 336.451 3.295 20 0 EGADRP C[C@H]1CC[N@H+](CCc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC001205603548 1370807769 /nfs/dbraw/zinc/80/77/69/1370807769.db2.gz QAYUEHFXLQLELU-ZFWWWQNUSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(F)cccc2Br)CC[C@@H]1C[NH3+] ZINC001205617923 1370812957 /nfs/dbraw/zinc/81/29/57/1370812957.db2.gz PGNSKKDUINDFFQ-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC001326017507 1388101551 /nfs/dbraw/zinc/10/15/51/1388101551.db2.gz CLYDBBHUTDTKMF-GOSISDBHSA-N 2 0 331.504 3.045 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c2ccccc12 ZINC001205925837 1370912879 /nfs/dbraw/zinc/91/28/79/1370912879.db2.gz ZISWDPYFYBFNGK-CABCVRRESA-N 2 0 328.456 3.416 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981780 1370929116 /nfs/dbraw/zinc/92/91/16/1370929116.db2.gz HCHDSAQSYLQJKX-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001205991386 1370931980 /nfs/dbraw/zinc/93/19/80/1370931980.db2.gz ANNCCLSKIGCYPW-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3F)nc2)CCC[C@H]1C[NH3+] ZINC001206003294 1370935717 /nfs/dbraw/zinc/93/57/17/1370935717.db2.gz GJGATBOCVAHXHX-ZBFHGGJFSA-N 2 0 328.435 3.090 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(Oc3ncccn3)cc2)CCC[C@H]1C[NH3+] ZINC001206005884 1370936189 /nfs/dbraw/zinc/93/61/89/1370936189.db2.gz ZDOKBKVDZIQKTF-WBVHZDCISA-N 2 0 326.444 3.076 20 0 EGADRP C[C@H]1C[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CCC[C@H]1C[NH3+] ZINC001206013509 1370938602 /nfs/dbraw/zinc/93/86/02/1370938602.db2.gz RTQGSVKOBZXJOJ-QWRGUYRKSA-N 2 0 346.422 3.221 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC(=O)C(C)C ZINC001206015006 1370939081 /nfs/dbraw/zinc/93/90/81/1370939081.db2.gz ZGMHUXVIERDYBM-RDJZCZTQSA-N 2 0 348.487 3.063 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1OCC1CC1 ZINC001206036706 1370944967 /nfs/dbraw/zinc/94/49/67/1370944967.db2.gz ONRWAYQFLAKHEP-NVXWUHKLSA-N 2 0 332.488 3.291 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c[nH]c2c1 ZINC001206036866 1370945260 /nfs/dbraw/zinc/94/52/60/1370945260.db2.gz SANVBKRSTGORSR-HOCLYGCPSA-N 2 0 343.471 3.151 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)CC1 ZINC001206126443 1370965574 /nfs/dbraw/zinc/96/55/74/1370965574.db2.gz XUIKQXZBPIIPHY-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001206304324 1371016043 /nfs/dbraw/zinc/01/60/43/1371016043.db2.gz IRDKRAZPFMYTNP-LJQANCHMSA-N 2 0 326.444 3.220 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001206311026 1371018085 /nfs/dbraw/zinc/01/80/85/1371018085.db2.gz GKXDRWLKPLOIMQ-INIZCTEOSA-N 2 0 342.940 3.348 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CCC[C@@](C)(C[NH3+])CC3)n21 ZINC001206336730 1371027059 /nfs/dbraw/zinc/02/70/59/1371027059.db2.gz OCIGUOSXKAZDLI-GOSISDBHSA-N 2 0 332.517 3.397 20 0 EGADRP CCOC(OCC)c1ccc(CN2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206370612 1371035326 /nfs/dbraw/zinc/03/53/26/1371035326.db2.gz NQKQZAQPSLRDGF-IBGZPJMESA-N 2 0 338.467 3.411 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(CN3CCCC[C@](F)(C[NH3+])C3)cc21 ZINC001206370238 1371035607 /nfs/dbraw/zinc/03/56/07/1371035607.db2.gz MMMSVTARAFPMDX-FQEVSTJZSA-N 2 0 331.479 3.341 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccncc3OC)CC2)CC1 ZINC001206487370 1371070254 /nfs/dbraw/zinc/07/02/54/1371070254.db2.gz OEVKDBPPLBVQCX-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP C[C@]1(C[NH3+])CCCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001206540136 1371087442 /nfs/dbraw/zinc/08/74/42/1371087442.db2.gz AMCUNDJFUUSYQR-LEWJYISDSA-N 2 0 329.532 3.492 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1OC(=O)C(C)C ZINC001206566352 1371095465 /nfs/dbraw/zinc/09/54/65/1371095465.db2.gz ZZWZZYAOBGLVSQ-HXUWFJFHSA-N 2 0 348.487 3.208 20 0 EGADRP COC(=O)c1cccc2c(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c[nH]c21 ZINC001206599561 1371105317 /nfs/dbraw/zinc/10/53/17/1371105317.db2.gz UZGCBUVCSKJDNW-MRXNPFEDSA-N 2 0 343.471 3.307 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](CCCc2ccccc2Br)C1 ZINC001206606598 1371107856 /nfs/dbraw/zinc/10/78/56/1371107856.db2.gz QVVLRRAHQLTELG-CQSZACIVSA-N 2 0 325.294 3.443 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628873 1371113470 /nfs/dbraw/zinc/11/34/70/1371113470.db2.gz XKHDZCUSGXLDAG-PKOBYXMFSA-N 2 0 339.568 3.227 20 0 EGADRP [NH3+]Cc1cc(NC(=O)[C@H]([NH3+])C2CCCCC2)cc(C(F)(F)F)c1 ZINC001118266552 1371154523 /nfs/dbraw/zinc/15/45/23/1371154523.db2.gz SIBJEPFGGYCPBC-CQSZACIVSA-N 2 0 329.366 3.010 20 0 EGADRP COc1cc(F)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(F)c1 ZINC001206755113 1371154872 /nfs/dbraw/zinc/15/48/72/1371154872.db2.gz BPGFUWFNEZILMP-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP COc1nc(Cl)ccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206760678 1371155808 /nfs/dbraw/zinc/15/58/08/1371155808.db2.gz KDJNIXDKVXFVLR-UHFFFAOYSA-N 2 0 345.874 3.236 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206794141 1371169133 /nfs/dbraw/zinc/16/91/33/1371169133.db2.gz JHWNRGQEAJARGN-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206808842 1371175970 /nfs/dbraw/zinc/17/59/70/1371175970.db2.gz KRGTXLKTQCWIOK-LSDHHAIUSA-N 2 0 328.456 3.416 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC(C[NH2+]CC(C)C)CC1)c1ccccc1 ZINC001206868767 1371196761 /nfs/dbraw/zinc/19/67/61/1371196761.db2.gz CRSYDOVKLFADII-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206952222 1371242921 /nfs/dbraw/zinc/24/29/21/1371242921.db2.gz FCHZWSCDDZFDND-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206953643 1371243695 /nfs/dbraw/zinc/24/36/95/1371243695.db2.gz WYAXRDWWIWMGDX-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974982 1371255601 /nfs/dbraw/zinc/25/56/01/1371255601.db2.gz ZGQSZTIUDIVFRF-YZBXUTEPSA-N 2 0 349.563 3.434 20 0 EGADRP Clc1ccc([C@@H]2C[C@@H]2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001207189759 1371324045 /nfs/dbraw/zinc/32/40/45/1371324045.db2.gz DWVWALHIPRCZQE-QUCCMNQESA-N 2 0 347.934 3.157 20 0 EGADRP CC[N@H+](C)C1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001207199333 1371327376 /nfs/dbraw/zinc/32/73/76/1371327376.db2.gz ZGHHCSAEBTWGQE-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001207276547 1371347182 /nfs/dbraw/zinc/34/71/82/1371347182.db2.gz ZBOKWEVVWUJQOC-JKSUJKDBSA-N 2 0 341.540 3.057 20 0 EGADRP CC[N@H+](CC(C)(C)C[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207282623 1371349788 /nfs/dbraw/zinc/34/97/88/1371349788.db2.gz MLBJATZQLBIOMZ-INIZCTEOSA-N 2 0 341.540 3.296 20 0 EGADRP FC1C[C@@H]2COC[C@H](C1)[N@@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292796 1371352488 /nfs/dbraw/zinc/35/24/88/1371352488.db2.gz ZOLNEFPGNFLLJR-IHWFROFDSA-N 2 0 332.463 3.100 20 0 EGADRP CC1(C)C[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001207357597 1371372140 /nfs/dbraw/zinc/37/21/40/1371372140.db2.gz ASCPKSFSDQCXHE-SLFFLAALSA-N 2 0 328.500 3.255 20 0 EGADRP CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207441643 1371396526 /nfs/dbraw/zinc/39/65/26/1371396526.db2.gz HVYCUPGTEKPQEZ-UHFFFAOYSA-N 2 0 345.487 3.391 20 0 EGADRP CC(C)(C)c1ccc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC001207439062 1371397083 /nfs/dbraw/zinc/39/70/83/1371397083.db2.gz KCJAJZQOHAXRLJ-UHFFFAOYSA-N 2 0 329.532 3.101 20 0 EGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479809 1371408453 /nfs/dbraw/zinc/40/84/53/1371408453.db2.gz OSMQOZJHXLVUAI-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP CC[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207484433 1371410049 /nfs/dbraw/zinc/41/00/49/1371410049.db2.gz KGBQNQYQJOTERA-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP CN(Cc1cccc(F)c1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487824 1371410418 /nfs/dbraw/zinc/41/04/18/1371410418.db2.gz TXXXRIVILVSJLO-UHFFFAOYSA-N 3 0 347.522 3.454 20 0 EGADRP COCCOc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)o1 ZINC001119947945 1371430241 /nfs/dbraw/zinc/43/02/41/1371430241.db2.gz CHTGAFKZJWOGJZ-UHFFFAOYSA-N 2 0 336.476 3.192 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010371 1371454260 /nfs/dbraw/zinc/45/42/60/1371454260.db2.gz OZXUNQKBYXZSEY-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207636951 1371460118 /nfs/dbraw/zinc/46/01/18/1371460118.db2.gz ZATWHFMMWGZSLP-HBMCJLEFSA-N 2 0 333.564 3.328 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001120045918 1371467299 /nfs/dbraw/zinc/46/72/99/1371467299.db2.gz IPTSKMRJCHPQNQ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[NH+]3CCC2CC3)cc1OC ZINC001207724545 1371485997 /nfs/dbraw/zinc/48/59/97/1371485997.db2.gz ZVHCDZWDVQSOFK-VKJFTORMSA-N 2 0 332.488 3.127 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120189651 1371503055 /nfs/dbraw/zinc/50/30/55/1371503055.db2.gz MXUCQMBZBKLVCZ-ROUUACIJSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001120208288 1371504945 /nfs/dbraw/zinc/50/49/45/1371504945.db2.gz YFRUJRDIGPQSNT-UHFFFAOYSA-N 2 0 335.536 3.236 20 0 EGADRP CN(C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)c1ccccc1 ZINC001120212801 1371506395 /nfs/dbraw/zinc/50/63/95/1371506395.db2.gz BABZVNLWHHGNLY-LJQANCHMSA-N 2 0 343.515 3.108 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001120239667 1371510979 /nfs/dbraw/zinc/51/09/79/1371510979.db2.gz AENRAPYGRZSGGZ-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]21 ZINC001207852031 1371519595 /nfs/dbraw/zinc/51/95/95/1371519595.db2.gz BZQQBTISJPJUKJ-ZAWLATJESA-N 2 0 334.529 3.459 20 0 EGADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCO2)CC3)c1 ZINC001207853657 1371520041 /nfs/dbraw/zinc/52/00/41/1371520041.db2.gz QUTHPGRBIHQQKO-HXUWFJFHSA-N 2 0 344.499 3.162 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120463285 1371584951 /nfs/dbraw/zinc/58/49/51/1371584951.db2.gz YFNBYLORARFXGL-PMACEKPBSA-N 2 0 349.563 3.366 20 0 EGADRP c1cnn(CCC[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001208086417 1371592367 /nfs/dbraw/zinc/59/23/67/1371592367.db2.gz MHOUKJSTTRPQBY-NHCUHLMSSA-N 2 0 338.499 3.117 20 0 EGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108072 1371597180 /nfs/dbraw/zinc/59/71/80/1371597180.db2.gz PGQWCSGUOSXVNI-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001208113863 1371600014 /nfs/dbraw/zinc/60/00/14/1371600014.db2.gz JCEKNBSPDJZHOI-QRQLOZEOSA-N 2 0 349.563 3.124 20 0 EGADRP CS[C@H](C)CC[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001208145342 1371609204 /nfs/dbraw/zinc/60/92/04/1371609204.db2.gz UWEBQKZPTKBRNT-RBSFLKMASA-N 2 0 325.547 3.181 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](CC[C@H](C)SC)CC1 ZINC001208147366 1371610068 /nfs/dbraw/zinc/61/00/68/1371610068.db2.gz HKCAWWWECIZAEW-SFHVURJKSA-N 2 0 329.598 3.258 20 0 EGADRP C[NH+](C)CC1(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCCC1 ZINC001208185460 1371625742 /nfs/dbraw/zinc/62/57/42/1371625742.db2.gz NHZYQUYRCDQBTE-ROUUACIJSA-N 2 0 347.572 3.234 20 0 EGADRP COC(=O)CC[N@H+](Cc1ccccc1)CC1(C[NH+](C)C)CCCC1 ZINC001208190469 1371631514 /nfs/dbraw/zinc/63/15/14/1371631514.db2.gz FEERFRMAMZBMRI-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208279302 1371695616 /nfs/dbraw/zinc/69/56/16/1371695616.db2.gz MXXCGMMAZIWATB-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001208328932 1371719320 /nfs/dbraw/zinc/71/93/20/1371719320.db2.gz KTWZFEAQTBXPJQ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330885 1371720091 /nfs/dbraw/zinc/72/00/91/1371720091.db2.gz HLCVGLGHDZIGPU-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208363362 1371735548 /nfs/dbraw/zinc/73/55/48/1371735548.db2.gz XYPOSYMSRYKEMC-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001208401953 1371754667 /nfs/dbraw/zinc/75/46/67/1371754667.db2.gz MDMYXHSXDPHRMB-RLLQIKCJSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411477 1371758210 /nfs/dbraw/zinc/75/82/10/1371758210.db2.gz VLRJDJPXAAMCGW-PHWHVTFISA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001208447633 1371769886 /nfs/dbraw/zinc/76/98/86/1371769886.db2.gz PEXXSUTXUUMZJX-IBGZPJMESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001208453393 1371771720 /nfs/dbraw/zinc/77/17/20/1371771720.db2.gz GHTRXDFTGQXTGM-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463834 1371777799 /nfs/dbraw/zinc/77/77/99/1371777799.db2.gz UHKPPONABMNDSG-SFHVURJKSA-N 2 0 346.519 3.069 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475358 1371782115 /nfs/dbraw/zinc/78/21/15/1371782115.db2.gz TVHNREVCOVSPHG-GLCUZYPYSA-N 2 0 349.563 3.434 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208564242 1371819273 /nfs/dbraw/zinc/81/92/73/1371819273.db2.gz OVTSERAGEVCKCV-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CN(CCC[NH+]1CCCC1)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208588675 1371829789 /nfs/dbraw/zinc/82/97/89/1371829789.db2.gz KFNRTVMHXDFTEQ-OAQYLSRUSA-N 2 0 329.532 3.459 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(n3ncc4ccccc43)CC2)CC1 ZINC001208597963 1371834691 /nfs/dbraw/zinc/83/46/91/1371834691.db2.gz NXBQXQMFJMZWOA-UHFFFAOYSA-N 2 0 326.488 3.405 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C[C@H]1CCC[NH+](C)C1 ZINC001208616547 1371844082 /nfs/dbraw/zinc/84/40/82/1371844082.db2.gz LJSPOJFQJXGKOT-JBACZVJFSA-N 2 0 329.532 3.171 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637157 1371848215 /nfs/dbraw/zinc/84/82/15/1371848215.db2.gz IFCMVKSMDLOUEF-AQRBRUGDSA-N 2 0 337.552 3.147 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103358 1371855057 /nfs/dbraw/zinc/85/50/57/1371855057.db2.gz WHLFYUDYVNDUGS-QAELIBMJSA-N 2 0 335.536 3.066 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750188 1371883415 /nfs/dbraw/zinc/88/34/15/1371883415.db2.gz ZHJQZZIFJOAYSO-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(CC)CC)C2 ZINC001121194324 1371885952 /nfs/dbraw/zinc/88/59/52/1371885952.db2.gz QGQFPWANMIOSRI-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121295148 1371926449 /nfs/dbraw/zinc/92/64/49/1371926449.db2.gz SANRRLNIZMCVCP-MBEFBZSESA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294973 1371926623 /nfs/dbraw/zinc/92/66/23/1371926623.db2.gz KBZDMEROIQGAGS-RBUNFDSBSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001121361214 1371949706 /nfs/dbraw/zinc/94/97/06/1371949706.db2.gz KRPOIHNKFLKQQP-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208934755 1371951680 /nfs/dbraw/zinc/95/16/80/1371951680.db2.gz IRNPJXGUTIKZND-NRFANRHFSA-N 2 0 329.532 3.172 20 0 EGADRP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947390 1371958761 /nfs/dbraw/zinc/95/87/61/1371958761.db2.gz BHSDDEZUVXHMTM-RBUKOAKNSA-N 2 0 344.499 3.172 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])C2CCCCC2)c1 ZINC001326372420 1388169923 /nfs/dbraw/zinc/16/99/23/1388169923.db2.gz YWMMAGOMXCJGNU-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209133577 1372010217 /nfs/dbraw/zinc/01/02/17/1372010217.db2.gz HNQRTBNVAZERBO-CEXWTWQISA-N 2 0 337.552 3.268 20 0 EGADRP CC(=O)OC(C)(C)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209153316 1372017067 /nfs/dbraw/zinc/01/70/67/1372017067.db2.gz GMOAVRLLDZEVGK-BGYRXZFFSA-N 2 0 344.499 3.172 20 0 EGADRP COCCCC[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001209214238 1372040833 /nfs/dbraw/zinc/04/08/33/1372040833.db2.gz CAHUQMOVYKKKSE-UHFFFAOYSA-N 2 0 331.504 3.185 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2CC3(CC(NC(=O)CC[NH+](C)C)C3)C2)c1 ZINC001121696305 1372049660 /nfs/dbraw/zinc/04/96/60/1372049660.db2.gz NRBRATHCKVDSBR-GICSWVMSSA-N 2 0 343.515 3.025 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121767564 1372074440 /nfs/dbraw/zinc/07/44/40/1372074440.db2.gz HLCDSLCSSQUEIW-FSCGBILYSA-N 2 0 347.547 3.234 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121767999 1372074922 /nfs/dbraw/zinc/07/49/22/1372074922.db2.gz URFLVUDVRJXORF-UFQJCFOOSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121767760 1372074933 /nfs/dbraw/zinc/07/49/33/1372074933.db2.gz KAKFCHMFNKQODM-IAAUGFHKSA-N 2 0 349.563 3.170 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857898 1388178661 /nfs/dbraw/zinc/17/86/61/1388178661.db2.gz UQFZGXSPECLOKO-STEYPSJLSA-N 2 0 347.547 3.138 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121861821 1372106519 /nfs/dbraw/zinc/10/65/19/1372106519.db2.gz XTKZAYHIQGRWDN-FCOWATRHSA-N 2 0 349.563 3.457 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C)C(C)C ZINC001209586269 1372143974 /nfs/dbraw/zinc/14/39/74/1372143974.db2.gz ZIXLNSKRQPICOY-QRVBRYPASA-N 2 0 339.568 3.226 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cnc3C)C2)C1 ZINC001122117726 1372179060 /nfs/dbraw/zinc/17/90/60/1372179060.db2.gz CSQOGQQNQZJZCI-WAYWQWQTSA-N 2 0 344.503 3.024 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c2cccnc21 ZINC001209748623 1372183038 /nfs/dbraw/zinc/18/30/38/1372183038.db2.gz FOKLURBQAKLFCI-ZWKOTPCHSA-N 2 0 326.488 3.412 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)CC1)C2 ZINC001122248909 1372211548 /nfs/dbraw/zinc/21/15/48/1372211548.db2.gz NYDFKZPOISTVAV-UHFFFAOYSA-N 2 0 349.563 3.170 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209940575 1372237776 /nfs/dbraw/zinc/23/77/76/1372237776.db2.gz NOICOTCGYNNUFR-WFRZBGSESA-N 2 0 335.536 3.188 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001187921538 1388190003 /nfs/dbraw/zinc/19/00/03/1388190003.db2.gz MWHAHBVEEKTMAX-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CC)C[C@H]1C ZINC001210236294 1372301150 /nfs/dbraw/zinc/30/11/50/1372301150.db2.gz LVOILGRCSMZAPO-GUDVDZBRSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC001326445501 1388191011 /nfs/dbraw/zinc/19/10/11/1388191011.db2.gz WZQMUUXPKNFUKT-DZKIICNBSA-N 2 0 336.549 3.247 20 0 EGADRP c1ccc(-c2ncccc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210262497 1372308406 /nfs/dbraw/zinc/30/84/06/1372308406.db2.gz IBFIDFOYEHTWJT-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP c1cncc(-c2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)c1 ZINC001210269252 1372311010 /nfs/dbraw/zinc/31/10/10/1372311010.db2.gz PSWJRCOJUORGKL-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP Clc1ccnc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc12 ZINC001210270915 1372311955 /nfs/dbraw/zinc/31/19/55/1372311955.db2.gz JQVMMEBNTQKCGB-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001210645395 1372398571 /nfs/dbraw/zinc/39/85/71/1372398571.db2.gz QZJHXWSMZUMNPO-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001210796754 1372428039 /nfs/dbraw/zinc/42/80/39/1372428039.db2.gz JMVYMFFLFYYKOY-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001210796796 1372428097 /nfs/dbraw/zinc/42/80/97/1372428097.db2.gz KJCNAJZEXGXVJM-AZUAARDMSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001210796755 1372428150 /nfs/dbraw/zinc/42/81/50/1372428150.db2.gz JMVYMFFLFYYKOY-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210811741 1372431239 /nfs/dbraw/zinc/43/12/39/1372431239.db2.gz QIMMWBLQQDCOMB-RTBURBONSA-N 2 0 345.531 3.287 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326466881 1388201087 /nfs/dbraw/zinc/20/10/87/1388201087.db2.gz DREUBHLESDLKHF-OXQOHEQNSA-N 2 0 345.531 3.484 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001211125874 1372487969 /nfs/dbraw/zinc/48/79/69/1372487969.db2.gz KECCIKVVGSTGPX-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3cccc(C[NH2+]C)c3)cc2F)CC1 ZINC001211137263 1372489509 /nfs/dbraw/zinc/48/95/09/1372489509.db2.gz LXOBMODVAXTQCX-UHFFFAOYSA-N 2 0 342.462 3.431 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001211241028 1372509674 /nfs/dbraw/zinc/50/96/74/1372509674.db2.gz RBWHEACTZLMMTI-FQEVSTJZSA-N 2 0 347.547 3.334 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240759 1372510007 /nfs/dbraw/zinc/51/00/07/1372510007.db2.gz PIHCULNIJYOYFC-PXPVJAHISA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@@H](C)[NH2+]C/C=C\Cl)cc1)[NH+](C)C ZINC001326479360 1388207690 /nfs/dbraw/zinc/20/76/90/1388207690.db2.gz HFHHYLKUTKBRED-HJULLYRHSA-N 2 0 337.895 3.046 20 0 EGADRP c1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)c(C[NH+]2CCCC2)c1 ZINC001212993812 1372815348 /nfs/dbraw/zinc/81/53/48/1372815348.db2.gz MFUZLKKYWMGVAB-UHFFFAOYSA-N 2 0 338.455 3.258 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214634176 1373092474 /nfs/dbraw/zinc/09/24/74/1373092474.db2.gz DLEGRPHBLDZNFR-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127321670 1373115156 /nfs/dbraw/zinc/11/51/56/1373115156.db2.gz CFBUHZPTDOUMNX-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C)c1ccccc1 ZINC001214990358 1373152358 /nfs/dbraw/zinc/15/23/58/1373152358.db2.gz LYJCGPCIBMQNIL-BHIYHBOVSA-N 2 0 345.531 3.305 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584274 1388247537 /nfs/dbraw/zinc/24/75/37/1388247537.db2.gz UJVSSRNISFBGCH-KRWDZBQOSA-N 2 0 329.488 3.096 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139574 1388248463 /nfs/dbraw/zinc/24/84/63/1388248463.db2.gz PJTBWTQUPFDORD-PWBPZBFBSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216323591 1373300287 /nfs/dbraw/zinc/30/02/87/1373300287.db2.gz HTIVYOAZRCZTQO-IBAHQSOCSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001216842394 1373350008 /nfs/dbraw/zinc/35/00/08/1373350008.db2.gz AJBPREOYJYAXHY-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001129422068 1373382248 /nfs/dbraw/zinc/38/22/48/1373382248.db2.gz DXMXJCWTQFUFCQ-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001129422798 1373382515 /nfs/dbraw/zinc/38/25/15/1373382515.db2.gz LOWBQTBATVAODM-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3ccc4c(c3)C[NH2+]CC4)n2)cc1 ZINC001217382585 1373435534 /nfs/dbraw/zinc/43/55/34/1373435534.db2.gz PDOQLWGEQXPHOT-UHFFFAOYSA-N 2 0 334.423 3.111 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC001130200639 1373473928 /nfs/dbraw/zinc/47/39/28/1373473928.db2.gz MBJZFVIGQHWUPD-XHDPSFHLSA-N 2 0 346.302 3.100 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC001130622417 1373570855 /nfs/dbraw/zinc/57/08/55/1373570855.db2.gz HPYHFMHJZPTUCH-QGZVFWFLSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@@H]([C@H](Oc1ccc2c(n1)CC[NH2+]C2)c1ccccc1)[NH+]1CCCC1 ZINC001218189801 1373574570 /nfs/dbraw/zinc/57/45/70/1373574570.db2.gz ZPZOCLMEYDJVFJ-KKSFZXQISA-N 2 0 337.467 3.332 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)CCC1 ZINC001218972564 1373672706 /nfs/dbraw/zinc/67/27/06/1373672706.db2.gz PLKNLBCSOKNRJR-UHFFFAOYSA-N 2 0 349.478 3.284 20 0 EGADRP [NH3+][C@@H](CCCc1ccccc1)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218996937 1373676618 /nfs/dbraw/zinc/67/66/18/1373676618.db2.gz QDLBWCGJHOVMJK-QUCCMNQESA-N 2 0 337.467 3.052 20 0 EGADRP O=C(NCC[NH2+]Cc1cccc2ccccc21)c1ccc2c[nH+]cn2c1 ZINC001131370053 1373685378 /nfs/dbraw/zinc/68/53/78/1373685378.db2.gz ATCIBPWQFSIPSI-UHFFFAOYSA-N 2 0 344.418 3.007 20 0 EGADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001219486733 1373711376 /nfs/dbraw/zinc/71/13/76/1373711376.db2.gz QXVVYTOZVGWXOQ-PMACEKPBSA-N 2 0 343.515 3.199 20 0 EGADRP CCCC[C@H]([NH2+]C)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221201072 1373767755 /nfs/dbraw/zinc/76/77/55/1373767755.db2.gz ASHZTADCYDDTKV-OALUTQOASA-N 2 0 349.494 3.151 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221553134 1373779926 /nfs/dbraw/zinc/77/99/26/1373779926.db2.gz SIRAZRSSAOGNJN-ASIGSXEYSA-N 2 0 347.547 3.140 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848290 1373798107 /nfs/dbraw/zinc/79/81/07/1373798107.db2.gz IMDSOTGWUCDQHE-RDSHDKLTSA-N 2 0 347.547 3.140 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001221921671 1373804267 /nfs/dbraw/zinc/80/42/67/1373804267.db2.gz DYVZMMGCKOSYSX-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)C[NH2+]CCO4)cc2)cc1 ZINC001222207665 1373820940 /nfs/dbraw/zinc/82/09/40/1373820940.db2.gz BMVIBARZEUDQTP-UHFFFAOYSA-N 2 0 338.451 3.433 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)cs1 ZINC001188346346 1388294424 /nfs/dbraw/zinc/29/44/24/1388294424.db2.gz JFSODRJPKJYOIN-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224753716 1375074769 /nfs/dbraw/zinc/07/47/69/1375074769.db2.gz MUERCHHSOKLPME-WAYWQWQTSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC[NH+](CCC)CC1 ZINC001225143401 1375094525 /nfs/dbraw/zinc/09/45/25/1375094525.db2.gz YKAFXTSCSFGFEY-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCc2ncc[nH]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132024891 1375104454 /nfs/dbraw/zinc/10/44/54/1375104454.db2.gz JPAFASGLPWKJRK-WMZOPIPTSA-N 2 0 344.503 3.202 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225447922 1375111852 /nfs/dbraw/zinc/11/18/52/1375111852.db2.gz BQCDJXMEIFVBTO-FQEVSTJZSA-N 2 0 343.515 3.062 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132041381 1375113171 /nfs/dbraw/zinc/11/31/71/1375113171.db2.gz CXNRIKTXCUSYHU-ROUUACIJSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001225543048 1375122383 /nfs/dbraw/zinc/12/23/83/1375122383.db2.gz QGCHSAIZQIBRJA-HDICACEKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001225577830 1375126342 /nfs/dbraw/zinc/12/63/42/1375126342.db2.gz KSPJTNOCPUUVSU-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225652783 1375139254 /nfs/dbraw/zinc/13/92/54/1375139254.db2.gz LLOYJXBMHJMHJQ-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225652781 1375139429 /nfs/dbraw/zinc/13/94/29/1375139429.db2.gz LLOYJXBMHJMHJQ-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CCCCCC1 ZINC001132105551 1375149771 /nfs/dbraw/zinc/14/97/71/1375149771.db2.gz IUJNHYFDFVCGTM-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC1CCCC1 ZINC001132105936 1375151507 /nfs/dbraw/zinc/15/15/07/1375151507.db2.gz OPVKGRFTCVHZCU-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141959 1375166891 /nfs/dbraw/zinc/16/68/91/1375166891.db2.gz WBDCLSCUHCCUIF-QZTJIDSGSA-N 2 0 346.519 3.067 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214963 1375213216 /nfs/dbraw/zinc/21/32/16/1375213216.db2.gz PQXQVGSZMWLFGR-IKSUFZCESA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132265585 1375253865 /nfs/dbraw/zinc/25/38/65/1375253865.db2.gz PEIAJTBYPFBJME-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC2)C1 ZINC001132366145 1375331042 /nfs/dbraw/zinc/33/10/42/1375331042.db2.gz XDSPJQZVEHDFDL-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132376619 1375339152 /nfs/dbraw/zinc/33/91/52/1375339152.db2.gz PGBUCMCXBSMFJA-OALUTQOASA-N 2 0 345.531 3.114 20 0 EGADRP Cn1cc(-c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cc2)cn1 ZINC001327071684 1388372328 /nfs/dbraw/zinc/37/23/28/1388372328.db2.gz AZQPTDWXPNWDBU-FQEVSTJZSA-N 2 0 338.499 3.299 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001226889861 1375352793 /nfs/dbraw/zinc/35/27/93/1375352793.db2.gz DIACAZKEUGOOGB-RCCFBDPRSA-N 2 0 341.515 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132409648 1375358996 /nfs/dbraw/zinc/35/89/96/1375358996.db2.gz CIIJJGSHRLWEJL-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132411053 1375360602 /nfs/dbraw/zinc/36/06/02/1375360602.db2.gz SFVIJBKZAIOAPO-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001226941818 1375363503 /nfs/dbraw/zinc/36/35/03/1375363503.db2.gz HZARIUANXPLEMO-KURKYZTESA-N 2 0 337.552 3.026 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCCC1CCC1 ZINC001132434604 1375380304 /nfs/dbraw/zinc/38/03/04/1375380304.db2.gz ZFPFMBJBFCTJHI-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132436263 1375381099 /nfs/dbraw/zinc/38/10/99/1375381099.db2.gz JRPYDWZHMIVVAT-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC001227150149 1375397367 /nfs/dbraw/zinc/39/73/67/1375397367.db2.gz KQOXVPLANVOTPV-RTBURBONSA-N 2 0 345.531 3.242 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494967 1375424322 /nfs/dbraw/zinc/42/43/22/1375424322.db2.gz ZMNLOHUXGJQGAP-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001227389991 1375425340 /nfs/dbraw/zinc/42/53/40/1375425340.db2.gz KRZHWGVECXJMIR-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132549310 1375455186 /nfs/dbraw/zinc/45/51/86/1375455186.db2.gz QFLFCNUBMXOBSH-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)CCCC1 ZINC001227750164 1375471326 /nfs/dbraw/zinc/47/13/26/1375471326.db2.gz ARQQTMNRTPKSQD-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227798269 1375476978 /nfs/dbraw/zinc/47/69/78/1375476978.db2.gz VVQFTBDSTLSGOM-VQTJNVASSA-N 2 0 343.515 3.059 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001227876995 1375485721 /nfs/dbraw/zinc/48/57/21/1375485721.db2.gz MYJYPICRPUGABS-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001227900462 1375488730 /nfs/dbraw/zinc/48/87/30/1375488730.db2.gz NOKXQOIOGVIQDU-QZTJIDSGSA-N 2 0 337.552 3.458 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC001228040071 1375509527 /nfs/dbraw/zinc/50/95/27/1375509527.db2.gz QWKIMMYLSTUUPV-OAHLLOKOSA-N 2 0 349.494 3.198 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228205715 1375527591 /nfs/dbraw/zinc/52/75/91/1375527591.db2.gz CRHXOTREXKQLCX-QZTJIDSGSA-N 2 0 349.519 3.408 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)c1 ZINC001228254865 1375534754 /nfs/dbraw/zinc/53/47/54/1375534754.db2.gz KVTIYEYHJHPHCV-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001228260844 1375536852 /nfs/dbraw/zinc/53/68/52/1375536852.db2.gz GHCROXCAFGHNBN-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccccc2C(C)C)C1 ZINC001132738513 1375539701 /nfs/dbraw/zinc/53/97/01/1375539701.db2.gz GLAPEAICHVAIPO-LJQANCHMSA-N 2 0 345.531 3.138 20 0 EGADRP Cc1cc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cs1 ZINC001132795547 1375568624 /nfs/dbraw/zinc/56/86/24/1375568624.db2.gz USOPENDFHFKBON-GOSISDBHSA-N 2 0 349.544 3.059 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228602245 1375611947 /nfs/dbraw/zinc/61/19/47/1375611947.db2.gz FKLOSSFMCANSIT-GPMSIDNRSA-N 2 0 341.515 3.016 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132938056 1375657893 /nfs/dbraw/zinc/65/78/93/1375657893.db2.gz QJFRSDNMCIDZJD-ZWHYWQQASA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001132950348 1375666967 /nfs/dbraw/zinc/66/69/67/1375666967.db2.gz MFNLSULLZBMTEZ-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001228894943 1375706420 /nfs/dbraw/zinc/70/64/20/1375706420.db2.gz GBDFXRQCJAXIIL-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001133010798 1375708370 /nfs/dbraw/zinc/70/83/70/1375708370.db2.gz BIMBFYLWLDHRGC-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC001228904517 1375710125 /nfs/dbraw/zinc/71/01/25/1375710125.db2.gz KJOFXNPCGWXNLO-WDZFZDKYSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064545 1375753291 /nfs/dbraw/zinc/75/32/91/1375753291.db2.gz NUSAXTLVHGQAAU-WMZOPIPTSA-N 2 0 349.519 3.075 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1)[NH+](CC)CC ZINC001229171283 1375780588 /nfs/dbraw/zinc/78/05/88/1375780588.db2.gz MJDHMSSYMXVKBT-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2F)CC1)[NH+](CC)CC ZINC001229170399 1375780716 /nfs/dbraw/zinc/78/07/16/1375780716.db2.gz AJVQYCCPJSXZOL-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)C(C)C ZINC001229194050 1375785415 /nfs/dbraw/zinc/78/54/15/1375785415.db2.gz ILGZMUYIWCDSEY-QRVBRYPASA-N 2 0 337.552 3.170 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001229199856 1375786459 /nfs/dbraw/zinc/78/64/59/1375786459.db2.gz GATGCQIAQQNLRA-CMDGGOBGSA-N 2 0 337.552 3.291 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001229231531 1375791107 /nfs/dbraw/zinc/79/11/07/1375791107.db2.gz QFBFUNNDAKVNEW-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)cccc1C ZINC001229232007 1375791343 /nfs/dbraw/zinc/79/13/43/1375791343.db2.gz WDTCHSDTOKYPQV-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001229287064 1375800755 /nfs/dbraw/zinc/80/07/55/1375800755.db2.gz IQMBKEGJNVULIT-SBUVDCAVSA-N 2 0 349.563 3.482 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001327145690 1388402813 /nfs/dbraw/zinc/40/28/13/1388402813.db2.gz FJOCODNKKUHHTF-WOJBJXKFSA-N 2 0 345.531 3.052 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463162 1375840645 /nfs/dbraw/zinc/84/06/45/1375840645.db2.gz ZNMXMLNWGRGGLS-VOFKWLDRSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC001229524608 1375851927 /nfs/dbraw/zinc/85/19/27/1375851927.db2.gz PWOBDTFMUAAMQN-DFQSSKMNSA-N 2 0 345.531 3.415 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133225844 1375853427 /nfs/dbraw/zinc/85/34/27/1375853427.db2.gz KPHUIUMFBNELAF-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001229807959 1375896723 /nfs/dbraw/zinc/89/67/23/1375896723.db2.gz LUUGEBPTUZIKEH-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001230035473 1375933538 /nfs/dbraw/zinc/93/35/38/1375933538.db2.gz WFFSWAHOJQCIKC-IBMJZYDUSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001133361067 1375944781 /nfs/dbraw/zinc/94/47/81/1375944781.db2.gz SERHAGCPGVGAGL-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257656 1375978928 /nfs/dbraw/zinc/97/89/28/1375978928.db2.gz ZZNOUQOBMIVSCU-RTBURBONSA-N 2 0 337.552 3.460 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001230274711 1375981072 /nfs/dbraw/zinc/98/10/72/1375981072.db2.gz HAZSLSLBPJWNML-QRVBRYPASA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001230274859 1375981185 /nfs/dbraw/zinc/98/11/85/1375981185.db2.gz PMBCCYPLNQWQMQ-WOJBJXKFSA-N 2 0 345.531 3.161 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001230617881 1376103992 /nfs/dbraw/zinc/10/39/92/1376103992.db2.gz HJIOBPMKXRPPGX-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001230622799 1376105009 /nfs/dbraw/zinc/10/50/09/1376105009.db2.gz QWHLYBSVEJYSLI-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21)[NH+](CC)CC ZINC001133683945 1376153625 /nfs/dbraw/zinc/15/36/25/1376153625.db2.gz AWTMMHLGVOCTEQ-RBUKOAKNSA-N 2 0 349.494 3.029 20 0 EGADRP c1[nH]c2cnccc2c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001231519182 1376255363 /nfs/dbraw/zinc/25/53/63/1376255363.db2.gz YNPMNRGCFCXMEW-RTBURBONSA-N 2 0 332.451 3.127 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl)[NH+](C)C ZINC001133963151 1376286705 /nfs/dbraw/zinc/28/67/05/1376286705.db2.gz QRGRTMDEIGMAGD-ABAIWWIYSA-N 2 0 346.302 3.100 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+]Cc1c(C)cc(C(C)(C)C)cc1C)[NH+](C)C ZINC001133968024 1376289913 /nfs/dbraw/zinc/28/99/13/1376289913.db2.gz KQEKFPZGJMKFOP-IBGZPJMESA-N 2 0 347.547 3.147 20 0 EGADRP CCOC(=O)[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]2CCCC[C@@H]12 ZINC001232012911 1376381793 /nfs/dbraw/zinc/38/17/93/1376381793.db2.gz WQNQVRFJSLXQQO-OLMNPRSZSA-N 2 0 341.455 3.364 20 0 EGADRP C[C@]1(c2ccc(F)cc2)CN(Cc2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001232015399 1376384556 /nfs/dbraw/zinc/38/45/56/1376384556.db2.gz GLYZBVXTECFAGW-LJQANCHMSA-N 2 0 325.387 3.450 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnsc3)C[C@@H]21 ZINC001232228140 1376419313 /nfs/dbraw/zinc/41/93/13/1376419313.db2.gz MRHPNSXVIMQXCF-NZSAHSFTSA-N 2 0 342.512 3.271 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134368918 1376496233 /nfs/dbraw/zinc/49/62/33/1376496233.db2.gz CGIYEMWRQXQBCY-BTFXCVNISA-N 2 0 337.552 3.480 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369742 1376497487 /nfs/dbraw/zinc/49/74/87/1376497487.db2.gz RNGOKNPDMQHLDE-DLBZAZTESA-N 2 0 325.541 3.314 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(SC(F)(F)F)c1 ZINC001232948310 1376546267 /nfs/dbraw/zinc/54/62/67/1376546267.db2.gz SLSDFSACYZHSSN-UHFFFAOYSA-N 2 0 349.466 3.224 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001134612801 1376624088 /nfs/dbraw/zinc/62/40/88/1376624088.db2.gz QGYRASXZJVZUNR-SJORKVTESA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728921 1376680772 /nfs/dbraw/zinc/68/07/72/1376680772.db2.gz DDTWQEGYYMEBNN-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728923 1376681253 /nfs/dbraw/zinc/68/12/53/1376681253.db2.gz DDTWQEGYYMEBNN-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)[NH+]1CCCCCC1 ZINC001134756651 1376702545 /nfs/dbraw/zinc/70/25/45/1376702545.db2.gz HUYPUDDPGDCKEZ-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001134756231 1376702645 /nfs/dbraw/zinc/70/26/45/1376702645.db2.gz AQWHFPKAGULAHQ-SFHVURJKSA-N 2 0 345.531 3.109 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001134759019 1376703432 /nfs/dbraw/zinc/70/34/32/1376703432.db2.gz FGYDMAXOQLOHIE-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001134759557 1376704496 /nfs/dbraw/zinc/70/44/96/1376704496.db2.gz SPZULIDJYZCMHL-OALUTQOASA-N 2 0 345.531 3.335 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001134772874 1376711979 /nfs/dbraw/zinc/71/19/79/1376711979.db2.gz INZXLIXWQXKRCI-QZTJIDSGSA-N 2 0 347.547 3.222 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001134773074 1376712263 /nfs/dbraw/zinc/71/22/63/1376712263.db2.gz KNBWCFMPQJRNEI-QZTJIDSGSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001134773075 1376714115 /nfs/dbraw/zinc/71/41/15/1376714115.db2.gz KNBWCFMPQJRNEI-ROUUACIJSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001134773396 1376714325 /nfs/dbraw/zinc/71/43/25/1376714325.db2.gz OHRJFDCCWFNADG-ZWKOTPCHSA-N 2 0 347.547 3.407 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109817 1388460468 /nfs/dbraw/zinc/46/04/68/1388460468.db2.gz FUMYKBFTGJEEKT-CAYSUEKXSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001233988001 1376748661 /nfs/dbraw/zinc/74/86/61/1376748661.db2.gz HUDMWGFUKXFFIZ-UHFFFAOYSA-N 2 0 327.472 3.493 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994693 1376833488 /nfs/dbraw/zinc/83/34/88/1376833488.db2.gz VWYLBIJRNXCUKC-LSDHHAIUSA-N 2 0 328.460 3.011 20 0 EGADRP c1csc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235036308 1376835223 /nfs/dbraw/zinc/83/52/23/1376835223.db2.gz LLBASULABNIBAW-QZTJIDSGSA-N 2 0 328.481 3.225 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038173 1376836832 /nfs/dbraw/zinc/83/68/32/1376836832.db2.gz DJJFKZUZEIBDEL-OXJNMPFZSA-N 2 0 330.472 3.202 20 0 EGADRP Oc1cccc2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC001235427740 1376870204 /nfs/dbraw/zinc/87/02/04/1376870204.db2.gz NBDPIRPETJJBMZ-IRXDYDNUSA-N 2 0 325.456 3.152 20 0 EGADRP Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2)n1 ZINC001235430639 1376871981 /nfs/dbraw/zinc/87/19/81/1376871981.db2.gz KDOOIYJQIIAISD-VQTJNVASSA-N 2 0 338.499 3.299 20 0 EGADRP Clc1cc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2cn1 ZINC001235430267 1376872312 /nfs/dbraw/zinc/87/23/12/1376872312.db2.gz WJRRUWDYPHQMDN-KGLIPLIRSA-N 2 0 332.879 3.428 20 0 EGADRP c1ccc(-c2ncnc3c2CC[N@H+](CC[C@H]2CCCC[NH2+]2)CC3)cc1 ZINC001235585834 1376877528 /nfs/dbraw/zinc/87/75/28/1376877528.db2.gz YQAJGOJOKXBVLA-GOSISDBHSA-N 2 0 336.483 3.076 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001135095838 1376893349 /nfs/dbraw/zinc/89/33/49/1376893349.db2.gz SKXGNDBKFCBTFH-WOJBJXKFSA-N 2 0 343.515 3.033 20 0 EGADRP CCOc1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c(F)cn1 ZINC001235875115 1376906287 /nfs/dbraw/zinc/90/62/87/1376906287.db2.gz YQDSWZQWGKPZJF-UHFFFAOYSA-N 2 0 329.419 3.210 20 0 EGADRP COc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c2ccccc21 ZINC001235887640 1376911247 /nfs/dbraw/zinc/91/12/47/1376911247.db2.gz HUEZFEUUXJBBKQ-LJQANCHMSA-N 2 0 325.456 3.207 20 0 EGADRP FC1(C[NH+]2CCN(c3cccc4sccc43)CC2)CC[NH2+]CC1 ZINC001236182888 1376939266 /nfs/dbraw/zinc/93/92/66/1376939266.db2.gz RYEIFUDMZBXKAR-UHFFFAOYSA-N 2 0 333.476 3.115 20 0 EGADRP N[C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227253 1376943044 /nfs/dbraw/zinc/94/30/44/1376943044.db2.gz AUBOAXVJUMBIEU-ATKRNPRHSA-N 2 0 337.511 3.329 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181049 1376953035 /nfs/dbraw/zinc/95/30/35/1376953035.db2.gz LMYUCUYZCUFQDJ-HZPDHXFCSA-N 2 0 349.494 3.073 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181620 1376955202 /nfs/dbraw/zinc/95/52/02/1376955202.db2.gz RWSIJUWRXHCAGD-JKSUJKDBSA-N 2 0 325.541 3.170 20 0 EGADRP CCC[N@@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843775 1376965959 /nfs/dbraw/zinc/96/59/59/1376965959.db2.gz QXFSTAOHXJTXDF-MRXNPFEDSA-N 2 0 332.879 3.347 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1sccc1Cl)NC(=O)CCC[NH+](C)C ZINC001135315027 1377033638 /nfs/dbraw/zinc/03/36/38/1377033638.db2.gz KMBMVSIYGKNYIG-CHWSQXEVSA-N 2 0 345.940 3.116 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001135315118 1377033685 /nfs/dbraw/zinc/03/36/85/1377033685.db2.gz LRRGJZSXDOIPKM-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC[NH2+]1 ZINC001246382218 1377051547 /nfs/dbraw/zinc/05/15/47/1377051547.db2.gz BEJKETUHULRCLH-QZTJIDSGSA-N 2 0 329.488 3.214 20 0 EGADRP Clc1ccccc1CC1([NH2+]C2CCC3(C[NH2+]C3)CC2)CC[NH2+]CC1 ZINC001246380777 1377051575 /nfs/dbraw/zinc/05/15/75/1377051575.db2.gz JUKXKFZCKQGBIF-UHFFFAOYSA-N 3 0 347.934 3.127 20 0 EGADRP c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+]([C@H]2CC[NH2+]C4(CCC4)C2)C3)nc1 ZINC001246721908 1377053581 /nfs/dbraw/zinc/05/35/81/1377053581.db2.gz GKHYNOSSEZFART-HBFSDRIKSA-N 2 0 341.499 3.237 20 0 EGADRP CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246763359 1377054015 /nfs/dbraw/zinc/05/40/15/1377054015.db2.gz HGBPFMZCVADHMU-LMNJBCLMSA-N 2 0 339.527 3.463 20 0 EGADRP [NH3+]CCN(Cc1ccc(Cl)cc1Cl)[C@H]1CC2CC[NH+](CC2)C1 ZINC001246820066 1377055331 /nfs/dbraw/zinc/05/53/31/1377055331.db2.gz HOPYPZHDZWGGQE-INIZCTEOSA-N 2 0 342.314 3.238 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc2ccccc21)NC(=O)CC[NH+](C)C ZINC001135371274 1377059548 /nfs/dbraw/zinc/05/95/48/1377059548.db2.gz DWXRMZICMBFTMF-IRXDYDNUSA-N 2 0 341.499 3.164 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135390226 1377068848 /nfs/dbraw/zinc/06/88/48/1377068848.db2.gz IQTXILKPCVOTBQ-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(CN2CCC([NH2+][C@@H]3CCC[N@@H+](C)CC3)CC2)c(F)c1 ZINC001254509833 1377105582 /nfs/dbraw/zinc/10/55/82/1377105582.db2.gz JHOARUZIUZLRKP-GOSISDBHSA-N 2 0 333.495 3.172 20 0 EGADRP COc1ccccc1OCC1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254529572 1377106480 /nfs/dbraw/zinc/10/64/80/1377106480.db2.gz NXRFBTIBAMGYNO-GOSISDBHSA-N 2 0 332.488 3.270 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471463 1377108785 /nfs/dbraw/zinc/10/87/85/1377108785.db2.gz MRJKVVHKCZURGP-IRXDYDNUSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475482 1377110301 /nfs/dbraw/zinc/11/03/01/1377110301.db2.gz BDUFOHLMQRDGQC-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135476368 1377110749 /nfs/dbraw/zinc/11/07/49/1377110749.db2.gz KBWJOVXNTKROOR-MSOLQXFVSA-N 2 0 347.547 3.346 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481559 1377114011 /nfs/dbraw/zinc/11/40/11/1377114011.db2.gz VMTLWIYTVRAIEI-OALUTQOASA-N 2 0 345.531 3.000 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccsc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135482056 1377114383 /nfs/dbraw/zinc/11/43/83/1377114383.db2.gz ZZAOROZXSGNNBP-HUUCEWRRSA-N 2 0 339.549 3.099 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258569510 1377117804 /nfs/dbraw/zinc/11/78/04/1377117804.db2.gz XTGSHUZCXFWHJF-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001135607751 1377160918 /nfs/dbraw/zinc/16/09/18/1377160918.db2.gz BZRWFIKPTYYGCD-MSOLQXFVSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1=CCCCC1 ZINC001135614184 1377162346 /nfs/dbraw/zinc/16/23/46/1377162346.db2.gz NOHVVAKWOPRCQZ-SJORKVTESA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614747 1377163220 /nfs/dbraw/zinc/16/32/20/1377163220.db2.gz ZNVNDIOMTBAQRJ-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCC1 ZINC001135676500 1377180865 /nfs/dbraw/zinc/18/08/65/1377180865.db2.gz XJWXYJJGJJWZNJ-CVEARBPZSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676414 1377180878 /nfs/dbraw/zinc/18/08/78/1377180878.db2.gz WOKSDFCZIMEILJ-IRXDYDNUSA-N 2 0 345.531 3.425 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135705306 1377190156 /nfs/dbraw/zinc/19/01/56/1377190156.db2.gz ABQGLXAMDWQMRQ-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[NH+](C)C)cc1 ZINC001135717631 1377193259 /nfs/dbraw/zinc/19/32/59/1377193259.db2.gz XNTWAPGRONMKKX-WOJBJXKFSA-N 2 0 345.531 3.088 20 0 EGADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1F ZINC001266144350 1377206259 /nfs/dbraw/zinc/20/62/59/1377206259.db2.gz QCTINBDHEAWLMN-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001266185446 1377220479 /nfs/dbraw/zinc/22/04/79/1377220479.db2.gz IAFQQKJBJXSWMY-YLJYHZDGSA-N 2 0 345.531 3.319 20 0 EGADRP CCc1ccccc1CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860939 1377237944 /nfs/dbraw/zinc/23/79/44/1377237944.db2.gz JTECBGKQHGIKAJ-QZTJIDSGSA-N 2 0 347.547 3.006 20 0 EGADRP CCc1ccccc1CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860940 1377238260 /nfs/dbraw/zinc/23/82/60/1377238260.db2.gz JTECBGKQHGIKAJ-ROUUACIJSA-N 2 0 347.547 3.006 20 0 EGADRP CCc1ccc(CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001135861663 1377238752 /nfs/dbraw/zinc/23/87/52/1377238752.db2.gz VFRUPGFEKATBFU-QZTJIDSGSA-N 2 0 347.547 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135861951 1377238765 /nfs/dbraw/zinc/23/87/65/1377238765.db2.gz ZNGCZKSKOSEDPO-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001327297731 1388488365 /nfs/dbraw/zinc/48/83/65/1388488365.db2.gz BHSZAYMBIQNJKJ-UXHICEINSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135943976 1377272726 /nfs/dbraw/zinc/27/27/26/1377272726.db2.gz CPDUWQKRSBYDPO-HZPDHXFCSA-N 2 0 346.519 3.214 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961757 1377277228 /nfs/dbraw/zinc/27/72/28/1377277228.db2.gz WEWMIBFHLKOQIV-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135975868 1377284420 /nfs/dbraw/zinc/28/44/20/1377284420.db2.gz DQYKVWRNYFCIJA-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135976319 1377284690 /nfs/dbraw/zinc/28/46/90/1377284690.db2.gz IXJLDHVKXGNCKJ-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135979553 1377284798 /nfs/dbraw/zinc/28/47/98/1377284798.db2.gz HIFWQZLCZSEKJD-MOPGFXCFSA-N 2 0 347.547 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135979556 1377285232 /nfs/dbraw/zinc/28/52/32/1377285232.db2.gz HIFWQZLCZSEKJD-RTBURBONSA-N 2 0 347.547 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135980331 1377285835 /nfs/dbraw/zinc/28/58/35/1377285835.db2.gz NVKPUFLAWMWRSV-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001135995161 1377291708 /nfs/dbraw/zinc/29/17/08/1377291708.db2.gz AEIKYSGTXXHJRY-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CC23CC[NH+](CCCC2CCC2)CC3)CCC1 ZINC001266373878 1377298637 /nfs/dbraw/zinc/29/86/37/1377298637.db2.gz NGFXQHXGZQSJTB-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCCCCC1 ZINC001266972019 1377406067 /nfs/dbraw/zinc/40/60/67/1377406067.db2.gz SOJYBWAOGFQZLE-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)cc[nH+]1 ZINC001136941741 1377443749 /nfs/dbraw/zinc/44/37/49/1377443749.db2.gz FRAWQHUPQVBEPR-UHFFFAOYSA-N 2 0 347.409 3.356 20 0 EGADRP Cc1ccc2c(C[N@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c[nH]c2c1 ZINC001136970027 1377447275 /nfs/dbraw/zinc/44/72/75/1377447275.db2.gz HCICUQUOLHUZFE-KDURUIRLSA-N 2 0 346.478 3.435 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1CC ZINC001268239881 1377500994 /nfs/dbraw/zinc/50/09/94/1377500994.db2.gz RRFRHYXWXGHUEJ-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001269177690 1377542095 /nfs/dbraw/zinc/54/20/95/1377542095.db2.gz NPFCWHMCPQIIOP-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP COC(=O)c1ccc2c(C[N@H+](C(C)C)C3CCN(C)CC3)c[nH]c2c1 ZINC001138269009 1377696125 /nfs/dbraw/zinc/69/61/25/1377696125.db2.gz QSSISITXXMLGRY-UHFFFAOYSA-N 2 0 343.471 3.259 20 0 EGADRP CCOc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1 ZINC001138435836 1377723892 /nfs/dbraw/zinc/72/38/92/1377723892.db2.gz PWBINNQQGDUNCK-UHFFFAOYSA-N 2 0 335.536 3.099 20 0 EGADRP CCOc1ccc2ccccc2c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001138443374 1377725007 /nfs/dbraw/zinc/72/50/07/1377725007.db2.gz ANJRGTYBUBHSQF-UHFFFAOYSA-N 2 0 343.515 3.164 20 0 EGADRP COc1ccc2c(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)c[nH]c2c1 ZINC001138592793 1377749849 /nfs/dbraw/zinc/74/98/49/1377749849.db2.gz ZHGMIIPTCNFGIS-UHFFFAOYSA-N 2 0 327.472 3.484 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCC1(F)F ZINC001138770239 1377782353 /nfs/dbraw/zinc/78/23/53/1377782353.db2.gz UUATTZVSGPWZHR-OAHLLOKOSA-N 2 0 326.431 3.494 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCC[N@H+](Cc4ccnnc4)C3)CC2)cc1 ZINC001139986350 1377988220 /nfs/dbraw/zinc/98/82/20/1377988220.db2.gz HBOOEEOSZGGJGC-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP Clc1ncc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001139992114 1377988555 /nfs/dbraw/zinc/98/85/55/1377988555.db2.gz PTJPYBDMWRKWAV-UHFFFAOYSA-N 2 0 342.874 3.228 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cnc(-c3ccc(F)cc3)s1)CC2 ZINC001140097256 1378006936 /nfs/dbraw/zinc/00/69/36/1378006936.db2.gz PAUIXILFIHOCHN-UHFFFAOYSA-N 2 0 331.460 3.477 20 0 EGADRP CC[C@H](C)N1CC[C@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716524 1378080180 /nfs/dbraw/zinc/08/01/80/1378080180.db2.gz GSGTUAGPAXMADB-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCCC2CCCC2)CC1 ZINC001275135894 1378134457 /nfs/dbraw/zinc/13/44/57/1378134457.db2.gz OYDLNYFGBHHHKM-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1nccn1-c1ccccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275895367 1378161056 /nfs/dbraw/zinc/16/10/56/1378161056.db2.gz RBUVDCLINPZNNA-UHFFFAOYSA-N 2 0 338.499 3.489 20 0 EGADRP Cc1c[nH]c(=O)c(C[N@@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1 ZINC001276872632 1378190031 /nfs/dbraw/zinc/19/00/31/1378190031.db2.gz JNJPXQVLGMYBAC-UHFFFAOYSA-N 2 0 337.467 3.075 20 0 EGADRP C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140968244 1378196482 /nfs/dbraw/zinc/19/64/82/1378196482.db2.gz IKINDESPLSFWEC-UHFFFAOYSA-N 2 0 327.447 3.210 20 0 EGADRP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975120 1378197584 /nfs/dbraw/zinc/19/75/84/1378197584.db2.gz NSYXAOZAGJBHTA-GOSISDBHSA-N 2 0 335.495 3.385 20 0 EGADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn(C)c4ccnc(Cl)c34)(C1)CCC2 ZINC001277366407 1378219281 /nfs/dbraw/zinc/21/92/81/1378219281.db2.gz ZAVDOAREEMSAAS-ZWKOTPCHSA-N 2 0 332.879 3.381 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCC1)C1CCCCCC1 ZINC001277368081 1378219744 /nfs/dbraw/zinc/21/97/44/1378219744.db2.gz BUYWIMYZCCTAHE-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001278020821 1378254737 /nfs/dbraw/zinc/25/47/37/1378254737.db2.gz FFBRTURFUCHLJQ-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001141548860 1378343540 /nfs/dbraw/zinc/34/35/40/1378343540.db2.gz LURLITLBKNUVJS-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CCC[C@@](CNC(=O)CC[N@H+](C)C2CCCCC2)([NH+](C)C)C1 ZINC001142065133 1378409981 /nfs/dbraw/zinc/40/99/81/1378409981.db2.gz LJPWVMICILBOJT-YLJYHZDGSA-N 2 0 337.552 3.268 20 0 EGADRP Cn1cc2c(cccc2C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001142456458 1378444137 /nfs/dbraw/zinc/44/41/37/1378444137.db2.gz LRZZAEKENARWMP-SFHVURJKSA-N 2 0 326.488 3.414 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC001282678220 1378550689 /nfs/dbraw/zinc/55/06/89/1378550689.db2.gz PQTPNIZFXQXNOY-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP COc1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1C(F)(F)F ZINC001143646144 1378630738 /nfs/dbraw/zinc/63/07/38/1378630738.db2.gz GFFWKHXPCQOIKX-UHFFFAOYSA-N 2 0 328.378 3.242 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001283324541 1378808005 /nfs/dbraw/zinc/80/80/05/1378808005.db2.gz AKFNNBOLGSOFJY-KRWDZBQOSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001146399720 1378834728 /nfs/dbraw/zinc/83/47/28/1378834728.db2.gz XTTDJJMDBAAPHI-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001146537681 1378863254 /nfs/dbraw/zinc/86/32/54/1378863254.db2.gz ZVLKWNFAVBTNJR-IRXDYDNUSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146712157 1378905359 /nfs/dbraw/zinc/90/53/59/1378905359.db2.gz AIMGWZOZBPUZIK-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001147357991 1379008592 /nfs/dbraw/zinc/00/85/92/1379008592.db2.gz BTDBQCLCNJOHEM-QUCCMNQESA-N 2 0 345.531 3.416 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001147359949 1379008941 /nfs/dbraw/zinc/00/89/41/1379008941.db2.gz XSFKILVOOWDPKO-APWZRJJASA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001147359537 1379009204 /nfs/dbraw/zinc/00/92/04/1379009204.db2.gz REARSDNVMRPHDK-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147742651 1379070329 /nfs/dbraw/zinc/07/03/29/1379070329.db2.gz MUCYLDUZZDHSLF-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001327918771 1388623152 /nfs/dbraw/zinc/62/31/52/1388623152.db2.gz VPQCWXQXYKMYDG-OAHLLOKOSA-N 2 0 348.560 3.406 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C)[NH+](C)C ZINC001284631547 1380035737 /nfs/dbraw/zinc/03/57/37/1380035737.db2.gz OQKAFTLFBMXFFY-RBUKOAKNSA-N 2 0 347.547 3.264 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CCC2CCCCC2)o1 ZINC001153266428 1380046957 /nfs/dbraw/zinc/04/69/57/1380046957.db2.gz JVUXGZSTLAZUET-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001284643500 1380050497 /nfs/dbraw/zinc/05/04/97/1380050497.db2.gz UGDGNLQCVVGFOM-OALUTQOASA-N 2 0 347.547 3.210 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)CCCC[NH+]1CCCC1)c1ccccc1 ZINC001153300129 1380051395 /nfs/dbraw/zinc/05/13/95/1380051395.db2.gz GOAHNWCMSBIHSV-LJQANCHMSA-N 2 0 331.504 3.110 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313660 1380054260 /nfs/dbraw/zinc/05/42/60/1380054260.db2.gz UURWWEIEIFSZRI-BGGMYYEUSA-N 2 0 337.552 3.432 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC1CCC1 ZINC001153720731 1380119020 /nfs/dbraw/zinc/11/90/20/1380119020.db2.gz NUOXUYFLPKQGCY-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828657 1380138839 /nfs/dbraw/zinc/13/88/39/1380138839.db2.gz PQBYUNGJKIIPLE-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033746 1380187202 /nfs/dbraw/zinc/18/72/02/1380187202.db2.gz LKCMQJZVPPTABY-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC1CC2(CCC2)C1 ZINC001154069647 1380198691 /nfs/dbraw/zinc/19/86/91/1380198691.db2.gz KSAIIOFTDCEUFW-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154177996 1380221811 /nfs/dbraw/zinc/22/18/11/1380221811.db2.gz AOLDVEJXZIIHBU-MRXNPFEDSA-N 2 0 330.476 3.355 20 0 EGADRP CC[N@H+](CC(C)C)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464780 1380283159 /nfs/dbraw/zinc/28/31/59/1380283159.db2.gz XUSMSZJYUJGCSF-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888619 1380372922 /nfs/dbraw/zinc/37/29/22/1380372922.db2.gz URDCEMFPLQRQLI-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066675 1380401517 /nfs/dbraw/zinc/40/15/17/1380401517.db2.gz MVQUWCVGNHBFKN-SKFQIZJUSA-N 2 0 325.541 3.146 20 0 EGADRP COc1ccc2c(cc[nH+]c2NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155377701 1380443247 /nfs/dbraw/zinc/44/32/47/1380443247.db2.gz IHRZZCBQMCVANI-KRWDZBQOSA-N 2 0 341.455 3.204 20 0 EGADRP COc1cccc(N(c2cc(C[NH+](C)C)ccn2)C2CC[NH2+]CC2)c1 ZINC001155613812 1380473920 /nfs/dbraw/zinc/47/39/20/1380473920.db2.gz ISYKZNCVJHWCBU-UHFFFAOYSA-N 2 0 340.471 3.042 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631388 1380476795 /nfs/dbraw/zinc/47/67/95/1380476795.db2.gz PTGHBRPKKLRYFC-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631297 1380476848 /nfs/dbraw/zinc/47/68/48/1380476848.db2.gz LWLWEPYSFYLHFA-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475389 1380580802 /nfs/dbraw/zinc/58/08/02/1380580802.db2.gz CNUQEBNBTMBOIO-HJCTWCACSA-N 2 0 325.541 3.291 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(N3C(C)(C)CC([NH3+])CC3(C)C)[nH+]cc21 ZINC001156773947 1380631760 /nfs/dbraw/zinc/63/17/60/1380631760.db2.gz OYQCLJZKUVTJKM-UHFFFAOYSA-N 2 0 344.459 3.224 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC001157050243 1380761303 /nfs/dbraw/zinc/76/13/03/1380761303.db2.gz MWJRXYJXJNIQOX-QGZVFWFLSA-N 2 0 334.533 3.089 20 0 EGADRP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091849 1380774204 /nfs/dbraw/zinc/77/42/04/1380774204.db2.gz FNYJIHBRNZIWMC-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109698 1380777945 /nfs/dbraw/zinc/77/79/45/1380777945.db2.gz RKLDGCZAZOUGTM-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP CC1([NH+]2CCCC2)CCN(c2ncccc2C[NH+]2CCCC2)CC1 ZINC001157658581 1380992143 /nfs/dbraw/zinc/99/21/43/1380992143.db2.gz SCNVJZRZLSPDPV-UHFFFAOYSA-N 2 0 328.504 3.132 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157887367 1381061151 /nfs/dbraw/zinc/06/11/51/1381061151.db2.gz TYZLIYYJTJJDQC-MJGOQNOKSA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001157893811 1381064065 /nfs/dbraw/zinc/06/40/65/1381064065.db2.gz NGPQLTXEPLCIFP-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)c1cc(CNc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)on1 ZINC001157995477 1381095955 /nfs/dbraw/zinc/09/59/55/1381095955.db2.gz IWMRZWGNMFJPQE-UHFFFAOYSA-N 2 0 330.432 3.278 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001158079838 1381121901 /nfs/dbraw/zinc/12/19/01/1381121901.db2.gz UFWVYGYAEQZVKZ-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1)C1CCC1 ZINC001158090104 1381124823 /nfs/dbraw/zinc/12/48/23/1381124823.db2.gz IQEQFZYHUZTEDV-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cnc(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(C[NH3+])c1 ZINC001158148639 1381142341 /nfs/dbraw/zinc/14/23/41/1381142341.db2.gz SLQALTLDMRFUNH-IYARVYRRSA-N 2 0 342.462 3.264 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329505 1381202939 /nfs/dbraw/zinc/20/29/39/1381202939.db2.gz OUFDZBZWJPDGEP-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158450250 1381249455 /nfs/dbraw/zinc/24/94/55/1381249455.db2.gz PGBXHQIGTVRVFV-UYAOXDASSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158474392 1381258410 /nfs/dbraw/zinc/25/84/10/1381258410.db2.gz YJNAIKUTUJIFLV-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)C)[NH+](CC)CC ZINC001158491549 1381266257 /nfs/dbraw/zinc/26/62/57/1381266257.db2.gz RZPDWEZFOLHPEX-RTBURBONSA-N 2 0 339.568 3.466 20 0 EGADRP C[NH+]1CCC(N(c2ccc3cccc(F)c3n2)C2CC[NH2+]CC2)CC1 ZINC001158589450 1381310970 /nfs/dbraw/zinc/31/09/70/1381310970.db2.gz QZMVJMAIKJWKSQ-UHFFFAOYSA-N 2 0 342.462 3.027 20 0 EGADRP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001158780647 1381395543 /nfs/dbraw/zinc/39/55/43/1381395543.db2.gz CGZVLGANIIUMFV-IHHMQQGQSA-N 2 0 337.552 3.388 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909887 1381459839 /nfs/dbraw/zinc/45/98/39/1381459839.db2.gz ZEFQIHGFLZTFCG-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914636 1381461212 /nfs/dbraw/zinc/46/12/12/1381461212.db2.gz PVFNDQWXCTWBED-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)nc2)CC1 ZINC001159117006 1381604640 /nfs/dbraw/zinc/60/46/40/1381604640.db2.gz CSVLIJWMCOQFOG-LJQANCHMSA-N 2 0 337.471 3.002 20 0 EGADRP CC(C)(C)OC(=O)c1c2c(sc1N=CC1CC[NH2+]CC1)C[NH2+]CC2 ZINC001159275045 1381750373 /nfs/dbraw/zinc/75/03/73/1381750373.db2.gz YBBSTVUEEFLERW-UHFFFAOYSA-N 2 0 349.500 3.028 20 0 EGADRP COc1ccc2c(Nc3cccnc3O[C@@H]3CC[NH2+]C3)cc[nH+]c2c1 ZINC001159346863 1381772079 /nfs/dbraw/zinc/77/20/79/1381772079.db2.gz FQDOEZNKOHSFJK-CQSZACIVSA-N 2 0 336.395 3.123 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2cc(N3CCSCC3)ncn2)CC1(C)C ZINC001159395094 1381785357 /nfs/dbraw/zinc/78/53/57/1381785357.db2.gz CCPBLLMPTJVYPF-UHFFFAOYSA-N 2 0 349.548 3.093 20 0 EGADRP Cc1[nH]c2ccc(Nc3ccc(N4CC[NH2+]CC4)c(F)c3)cc2[nH+]1 ZINC001159537438 1381820753 /nfs/dbraw/zinc/82/07/53/1381820753.db2.gz CZEWJUZLDGIXOF-UHFFFAOYSA-N 2 0 325.391 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001159908738 1381934109 /nfs/dbraw/zinc/93/41/09/1381934109.db2.gz JLFSYGIXUSKZOP-IEBWSBKVSA-N 2 0 331.504 3.106 20 0 EGADRP C[NH+](C)CCOc1cc(F)ccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159996083 1381964363 /nfs/dbraw/zinc/96/43/63/1381964363.db2.gz LDKGHUZKKZKBKC-UHFFFAOYSA-N 2 0 329.419 3.155 20 0 EGADRP Fc1cccc(OC2CC[NH2+]CC2)c1Nc1ccc2c[nH+]cn2c1 ZINC001160157761 1382018869 /nfs/dbraw/zinc/01/88/69/1382018869.db2.gz YUIHQEHYRIHWKD-UHFFFAOYSA-N 2 0 326.375 3.348 20 0 EGADRP CC1(C)CCNc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc21 ZINC001160322954 1382072781 /nfs/dbraw/zinc/07/27/81/1382072781.db2.gz FZXSWTGXPHOPDC-UHFFFAOYSA-N 2 0 337.471 3.328 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379093 1382088306 /nfs/dbraw/zinc/08/83/06/1382088306.db2.gz BBCTYPLOOZHPHK-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406287 1382095834 /nfs/dbraw/zinc/09/58/34/1382095834.db2.gz MWQSMEOOPWGSAD-GWQNQTGSSA-N 2 0 349.563 3.457 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467447 1382114527 /nfs/dbraw/zinc/11/45/27/1382114527.db2.gz STZQJFHFHUWRSP-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc2c(Cl)cccc12 ZINC001160513238 1382127281 /nfs/dbraw/zinc/12/72/81/1382127281.db2.gz LWSFXEVMYBRXFR-SFHVURJKSA-N 2 0 330.863 3.032 20 0 EGADRP Cc1c[nH+]c(-n2cc(C[NH3+])c3ccc(Br)cc32)cc1N ZINC001160758761 1382188470 /nfs/dbraw/zinc/18/84/70/1382188470.db2.gz VSEQIVLVRJOAHQ-UHFFFAOYSA-N 2 0 331.217 3.137 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1)[NH+](C)C ZINC001160889286 1382225715 /nfs/dbraw/zinc/22/57/15/1382225715.db2.gz HBSKYIBKMODFGN-DAWZGUTISA-N 2 0 339.568 3.275 20 0 EGADRP Cc1nc2sc3c(c2c(-n2cc(CC[NH3+])c4c[nH+]ccc42)n1)CCC3 ZINC001160950783 1382248941 /nfs/dbraw/zinc/24/89/41/1382248941.db2.gz RLSDANQYPFLTAV-UHFFFAOYSA-N 2 0 349.463 3.329 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)Cn1ccc2ccc(F)cc21 ZINC001293591263 1382309462 /nfs/dbraw/zinc/30/94/62/1382309462.db2.gz RIVBZTZPWKVLNF-UHFFFAOYSA-N 2 0 349.369 3.308 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c(F)c1 ZINC001161693518 1382482386 /nfs/dbraw/zinc/48/23/86/1382482386.db2.gz JBXXSDSUONXDAY-UHFFFAOYSA-N 2 0 335.467 3.338 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161893263 1382541874 /nfs/dbraw/zinc/54/18/74/1382541874.db2.gz AHZFKQWOLZGFSQ-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP [NH3+]C1CCN(c2cccc(NC3(CC4CCC4)CCOCC3)[nH+]2)CC1 ZINC001161922350 1382553240 /nfs/dbraw/zinc/55/32/40/1382553240.db2.gz RFBQWEYYGDOOML-UHFFFAOYSA-N 2 0 344.503 3.160 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924812 1382553846 /nfs/dbraw/zinc/55/38/46/1382553846.db2.gz MAHJIJDHZFOXEE-ASIGSXEYSA-N 2 0 347.547 3.354 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947060 1382565480 /nfs/dbraw/zinc/56/54/80/1382565480.db2.gz VEXKHYCCXPEHBC-ONEGZZNKSA-N 2 0 347.547 3.357 20 0 EGADRP Cc1cc(N(CC[NH3+])c2cccc3ccccc32)nc2c1C[NH2+]CC2 ZINC001161999242 1382593822 /nfs/dbraw/zinc/59/38/22/1382593822.db2.gz BVAKMFSROZJSJL-UHFFFAOYSA-N 2 0 332.451 3.286 20 0 EGADRP CC(C)(CNc1cccc(N2CCC([NH3+])CC2)[nH+]1)CC(F)(F)F ZINC001162249156 1382687710 /nfs/dbraw/zinc/68/77/10/1382687710.db2.gz IHZKEZNTXCVMMF-UHFFFAOYSA-N 2 0 330.398 3.400 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1c(Cl)cc(Cl)nc1Cl ZINC001162289885 1382723149 /nfs/dbraw/zinc/72/31/49/1382723149.db2.gz CLLVPTXVVIOHBP-UHFFFAOYSA-N 2 0 325.671 3.172 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nc2c(Cl)cccc2nc1Cl ZINC001162294205 1382724119 /nfs/dbraw/zinc/72/41/19/1382724119.db2.gz CZGJRMBICRZMEX-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP [NH3+][C@H]1Cc2ccccc2N(c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001162847091 1382893371 /nfs/dbraw/zinc/89/33/71/1382893371.db2.gz HKIJRPNTGXFFCR-SFHVURJKSA-N 2 0 333.479 3.276 20 0 EGADRP c1cc2n(c1)C[C@H](CCNc1cc[nH+]cc1-c1ccccc1)C[NH2+]C2 ZINC001163061377 1382958483 /nfs/dbraw/zinc/95/84/83/1382958483.db2.gz UKCDRSZUOFVRHW-QGZVFWFLSA-N 2 0 332.451 3.194 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)nc2sccc21 ZINC001163126287 1382970561 /nfs/dbraw/zinc/97/05/61/1382970561.db2.gz QFQVQNHIJVHZMA-UHFFFAOYSA-N 2 0 325.869 3.228 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C(C)C)nc(C(C)(C)C)n1 ZINC001163129873 1382971922 /nfs/dbraw/zinc/97/19/22/1382971922.db2.gz TXLWBGWEEUUWTL-UHFFFAOYSA-N 2 0 334.512 3.176 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163243384 1383003212 /nfs/dbraw/zinc/00/32/12/1383003212.db2.gz YAGICFJXWCWTFW-SFHVURJKSA-N 2 0 339.568 3.277 20 0 EGADRP c1cc2[nH]c3cc(NC[C@@H]4CO[C@]5(C4)CCC[NH2+]C5)ccc3c2c[nH+]1 ZINC001163288191 1383013246 /nfs/dbraw/zinc/01/32/46/1383013246.db2.gz AHMULAGHDUWXKC-VLIAUNLRSA-N 2 0 336.439 3.287 20 0 EGADRP c1cc2[nH]c3cc(NC[C@H]4CO[C@@]5(C4)CCC[NH2+]C5)ccc3c2c[nH+]1 ZINC001163288189 1383013417 /nfs/dbraw/zinc/01/34/17/1383013417.db2.gz AHMULAGHDUWXKC-VBKZILBWSA-N 2 0 336.439 3.287 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)c(C)c1 ZINC001163290884 1383013922 /nfs/dbraw/zinc/01/39/22/1383013922.db2.gz SMQLZPLVVLQNNU-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163831933 1383127074 /nfs/dbraw/zinc/12/70/74/1383127074.db2.gz BYNLAAKQZREOLQ-QGZVFWFLSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163852036 1383129558 /nfs/dbraw/zinc/12/95/58/1383129558.db2.gz XHYWHWLKCVMMMY-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4[nH+]ccc5c4CCN5)[C@H]3C2)cc1 ZINC001164487476 1383192228 /nfs/dbraw/zinc/19/22/28/1383192228.db2.gz VJZKLTFEGVNUJX-XKGZKEIXSA-N 2 0 334.467 3.372 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500705 1383194006 /nfs/dbraw/zinc/19/40/06/1383194006.db2.gz BVPAGIQXBSFOCE-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2ccnc2[C@@H]2CCC[NH2+]C2)nc1 ZINC001165144281 1383236477 /nfs/dbraw/zinc/23/64/77/1383236477.db2.gz QSLGXGGHYVFZLF-MSOLQXFVSA-N 2 0 339.487 3.281 20 0 EGADRP CC(C)Oc1cc[nH+]c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001165267142 1383262847 /nfs/dbraw/zinc/26/28/47/1383262847.db2.gz YSDAOWRQNVFFAY-HNNXBMFYSA-N 2 0 343.393 3.380 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165334653 1383275792 /nfs/dbraw/zinc/27/57/92/1383275792.db2.gz ZLNIAYTXSNOPKV-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485176 1383301773 /nfs/dbraw/zinc/30/17/73/1383301773.db2.gz OCOLAMPEAMOVMY-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165737252 1383335871 /nfs/dbraw/zinc/33/58/71/1383335871.db2.gz QTHVSQSTCHLADW-RTBURBONSA-N 2 0 349.563 3.460 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165993039 1383374254 /nfs/dbraw/zinc/37/42/54/1383374254.db2.gz OYTLXSGNWJKYNC-ARJAWSKDSA-N 2 0 340.471 3.180 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001166010953 1383376976 /nfs/dbraw/zinc/37/69/76/1383376976.db2.gz XIRWXZZZNZTRSO-RHSMWYFYSA-N 2 0 339.911 3.083 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166403307 1383419240 /nfs/dbraw/zinc/41/92/40/1383419240.db2.gz IEXLJNHCFUZMLS-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1)[NH+](CC)CC ZINC001166440343 1383422614 /nfs/dbraw/zinc/42/26/14/1383422614.db2.gz VZPJKNMNPZRJFU-HOTGVXAUSA-N 2 0 347.494 3.028 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CCCCc1ccccc1)[NH+](CC)CC ZINC001166439147 1383422669 /nfs/dbraw/zinc/42/26/69/1383422669.db2.gz BUXLZLLPQVYXQW-HXUWFJFHSA-N 2 0 347.547 3.226 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1F)[NH+](CC)CC ZINC001166455814 1383423977 /nfs/dbraw/zinc/42/39/77/1383423977.db2.gz ZWJDUVSHZUJTMW-QAPCUYQASA-N 2 0 337.483 3.103 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001166677408 1383458606 /nfs/dbraw/zinc/45/86/06/1383458606.db2.gz IZZYAXUUCQGTHL-ZWKOTPCHSA-N 2 0 345.531 3.309 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC001166736224 1383468450 /nfs/dbraw/zinc/46/84/50/1383468450.db2.gz FFOUUMWVKTUALE-GOSISDBHSA-N 2 0 345.531 3.192 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385620 1383618974 /nfs/dbraw/zinc/61/89/74/1383618974.db2.gz LIIZXBHJQYIKFU-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426315 1383631349 /nfs/dbraw/zinc/63/13/49/1383631349.db2.gz RQQLQYLEIBXCEI-MSOLQXFVSA-N 2 0 335.536 3.070 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001167480620 1383646735 /nfs/dbraw/zinc/64/67/35/1383646735.db2.gz NRTDURLOYFROFI-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599283 1383685189 /nfs/dbraw/zinc/68/51/89/1383685189.db2.gz DPEFDBPAOXBOLC-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167608812 1383688392 /nfs/dbraw/zinc/68/83/92/1383688392.db2.gz JAICUGSNXIAJNQ-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1F ZINC001167620999 1383690709 /nfs/dbraw/zinc/69/07/09/1383690709.db2.gz VUCOENGKOOBHGA-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1C ZINC001167626748 1383692406 /nfs/dbraw/zinc/69/24/06/1383692406.db2.gz GUKZFDWLPZUDPV-FQEVSTJZSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167627012 1383692423 /nfs/dbraw/zinc/69/24/23/1383692423.db2.gz ISCMVFWSDYEOLR-ZWKOTPCHSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001167636775 1383694619 /nfs/dbraw/zinc/69/46/19/1383694619.db2.gz ZBFKIROQQGNWDN-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167694811 1383713096 /nfs/dbraw/zinc/71/30/96/1383713096.db2.gz VMWIIAFILDTCLJ-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001167825226 1383750304 /nfs/dbraw/zinc/75/03/04/1383750304.db2.gz ICQIWPGRXDWAMX-DLBZAZTESA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2ncccc2OC)C1 ZINC001167834763 1383752866 /nfs/dbraw/zinc/75/28/66/1383752866.db2.gz MTVGOAGMBUXVRQ-SJORKVTESA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001167835633 1383754241 /nfs/dbraw/zinc/75/42/41/1383754241.db2.gz SDWRVVDNMXIPFB-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2cc(C)ncn2)C1 ZINC001167836255 1383754953 /nfs/dbraw/zinc/75/49/53/1383754953.db2.gz YKGMGZJBCBNWKR-ZWKOTPCHSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1cc(C)nc(C)n1)C1CC[NH2+]CC1 ZINC001167836251 1383755101 /nfs/dbraw/zinc/75/51/01/1383755101.db2.gz YJPFVZOIFHRJOU-QGZVFWFLSA-N 2 0 347.551 3.162 20 0 EGADRP Cc1cccc2nc(-c3ccccc3)nc(NC(=[NH2+])NCCCC[NH3+])c12 ZINC001167877349 1383763579 /nfs/dbraw/zinc/76/35/79/1383763579.db2.gz BJSVTZPWBFEJQF-UHFFFAOYSA-N 2 0 348.454 3.280 20 0 EGADRP COc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1OC ZINC001167961633 1383780020 /nfs/dbraw/zinc/78/00/20/1383780020.db2.gz MEKYRMAKBDZRKN-YQQQUEKLSA-N 2 0 344.499 3.241 20 0 EGADRP C[C@H]1CC([NH2+]CCN2CCCCO2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009286 1383796086 /nfs/dbraw/zinc/79/60/86/1383796086.db2.gz ZTJCVNVGBHJWAA-ROUUACIJSA-N 2 0 331.504 3.045 20 0 EGADRP COC(=O)C1CC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168024254 1383799211 /nfs/dbraw/zinc/79/92/11/1383799211.db2.gz CVPWSZCPFMMLLQ-MQMXLAGYSA-N 2 0 344.499 3.217 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168031329 1383799821 /nfs/dbraw/zinc/79/98/21/1383799821.db2.gz ZBEMCQSCUPTORA-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]1CC([NH2+]CCc2nncs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036849 1383801374 /nfs/dbraw/zinc/80/13/74/1383801374.db2.gz VXMNTDOSSLKKPQ-HUUCEWRRSA-N 2 0 330.501 3.112 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168044630 1383803957 /nfs/dbraw/zinc/80/39/57/1383803957.db2.gz GILTWZSYOWBMAY-CADBVGFASA-N 2 0 329.532 3.452 20 0 EGADRP CCC[NH+]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168058842 1383806757 /nfs/dbraw/zinc/80/67/57/1383806757.db2.gz CSMNWSVSYCVWHU-OALUTQOASA-N 2 0 329.532 3.456 20 0 EGADRP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@@H](C)C1 ZINC001168091824 1383814846 /nfs/dbraw/zinc/81/48/46/1383814846.db2.gz BPQLIBQUNKULTN-WNHJNPCNSA-N 2 0 332.488 3.335 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168169570 1383832684 /nfs/dbraw/zinc/83/26/84/1383832684.db2.gz FFZSLINQDROWJE-QGZVFWFLSA-N 2 0 337.939 3.230 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168199349 1383841698 /nfs/dbraw/zinc/84/16/98/1383841698.db2.gz NWEHTAJGKXDOPK-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP COc1ccccc1CN1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168295140 1383865750 /nfs/dbraw/zinc/86/57/50/1383865750.db2.gz VUZBMWQNUALAKG-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168302272 1383867178 /nfs/dbraw/zinc/86/71/78/1383867178.db2.gz MWWCZTSVUDRWCD-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP COc1ccc(-c2nc(C[NH2+]C3CCC([NH+](C)C)CC3)co2)cc1 ZINC001168303768 1383868263 /nfs/dbraw/zinc/86/82/63/1383868263.db2.gz CECFYIMAFWAQAE-UHFFFAOYSA-N 2 0 329.444 3.313 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001168313985 1383870985 /nfs/dbraw/zinc/87/09/85/1383870985.db2.gz HSWUMMXBAGGVFI-UHFFFAOYSA-N 2 0 329.532 3.456 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320848 1383872802 /nfs/dbraw/zinc/87/28/02/1383872802.db2.gz SPQAGKLVVPVEQY-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001168324654 1383873546 /nfs/dbraw/zinc/87/35/46/1383873546.db2.gz SVVZEWOUXWVUFJ-HIFPTAJRSA-N 2 0 346.397 3.141 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327225 1383873845 /nfs/dbraw/zinc/87/38/45/1383873845.db2.gz ZWLVSKLDQYDXLM-UEKDZROGSA-N 2 0 349.563 3.339 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001168346418 1383880278 /nfs/dbraw/zinc/88/02/78/1383880278.db2.gz YWEZDDKGJLTHCK-INIZCTEOSA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+]1CCN(c2ccc(N3C[C@@H](CC[NH3+])c4ccccc43)cc2)CC1 ZINC001168549938 1383934675 /nfs/dbraw/zinc/93/46/75/1383934675.db2.gz QYQGUBUKMDUIJV-QGZVFWFLSA-N 2 0 336.483 3.023 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001168614239 1383949043 /nfs/dbraw/zinc/94/90/43/1383949043.db2.gz FHCCARAVBFZFSJ-SFHVURJKSA-N 2 0 333.520 3.356 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001168754892 1383992344 /nfs/dbraw/zinc/99/23/44/1383992344.db2.gz DFNATILVYQHZDD-UHFFFAOYSA-N 2 0 341.499 3.086 20 0 EGADRP CC1(C)CN(CCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001307460888 1383996062 /nfs/dbraw/zinc/99/60/62/1383996062.db2.gz ZWQYYUQEGPQVQV-UHFFFAOYSA-N 2 0 329.532 3.459 20 0 EGADRP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001169068500 1384103168 /nfs/dbraw/zinc/10/31/68/1384103168.db2.gz OHKKTOPTUIVLNL-FQEVSTJZSA-N 2 0 330.516 3.344 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OCC3CCOCC3)cc1)C2 ZINC001169115749 1384109399 /nfs/dbraw/zinc/10/93/99/1384109399.db2.gz OBGIRIMXTPPZMY-OWZKRDHZSA-N 2 0 344.499 3.207 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001169127605 1384111301 /nfs/dbraw/zinc/11/13/01/1384111301.db2.gz REDUGSLMUFJIHN-IBGZPJMESA-N 2 0 349.494 3.105 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140169 1384112211 /nfs/dbraw/zinc/11/22/11/1384112211.db2.gz IATQWFXNWIETGQ-TXZRGUEPSA-N 2 0 341.543 3.454 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccccc2-n2nnc3ccccc32)CC1 ZINC001308253128 1384113359 /nfs/dbraw/zinc/11/33/59/1384113359.db2.gz GGZULYVLKAVJBF-UHFFFAOYSA-N 2 0 349.482 3.242 20 0 EGADRP COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147019 1384114917 /nfs/dbraw/zinc/11/49/17/1384114917.db2.gz RFTBNWCSMDXUTH-KANFNMMFSA-N 2 0 332.488 3.157 20 0 EGADRP COC(=O)c1cccc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169152711 1384115467 /nfs/dbraw/zinc/11/54/67/1384115467.db2.gz DMXXPRAKKJBCJV-PMOLBWCYSA-N 2 0 342.483 3.278 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC001308383919 1384123193 /nfs/dbraw/zinc/12/31/93/1384123193.db2.gz APPGKYSTYQOPDI-UYAOXDASSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC001308383914 1384123303 /nfs/dbraw/zinc/12/33/03/1384123303.db2.gz APPGKYSTYQOPDI-AZUAARDMSA-N 2 0 329.532 3.219 20 0 EGADRP CC[NH+]1CCC([NH2+]CCCc2ccccc2Br)CC1 ZINC001169229863 1384125237 /nfs/dbraw/zinc/12/52/37/1384125237.db2.gz HPNNSXKCSFWFKA-UHFFFAOYSA-N 2 0 325.294 3.456 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001308654625 1384139985 /nfs/dbraw/zinc/13/99/85/1384139985.db2.gz ULHYIVHUORYYKM-UHFFFAOYSA-N 2 0 326.488 3.095 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC001308744370 1384147005 /nfs/dbraw/zinc/14/70/05/1384147005.db2.gz USESOHMULKOTHG-CQSZACIVSA-N 2 0 338.398 3.172 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)CC1 ZINC001169652498 1384169011 /nfs/dbraw/zinc/16/90/11/1384169011.db2.gz PUMRPNSGINPNCZ-IAGOWNOFSA-N 2 0 327.513 3.098 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001169798926 1384187337 /nfs/dbraw/zinc/18/73/37/1384187337.db2.gz SYCKYMGYACBRRH-AZUAARDMSA-N 2 0 345.531 3.162 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169949182 1384202702 /nfs/dbraw/zinc/20/27/02/1384202702.db2.gz LKQHLQKLJHWKGH-HXUWFJFHSA-N 2 0 344.499 3.269 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001170432144 1384317856 /nfs/dbraw/zinc/31/78/56/1384317856.db2.gz QMRMQIKNKHKLOG-CGTJXYLNSA-N 2 0 332.488 3.445 20 0 EGADRP CC[C@@H]1C[C@@H]([N@H+](C)C[C@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476654 1384326541 /nfs/dbraw/zinc/32/65/41/1384326541.db2.gz ZGJPAVJPMWEPBQ-WCXIOVBPSA-N 2 0 341.540 3.470 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001170519031 1384333408 /nfs/dbraw/zinc/33/34/08/1384333408.db2.gz ZMRAMAQBTVIWEE-WAPOTWQKSA-N 2 0 342.483 3.113 20 0 EGADRP Fc1cc(F)c2c(c1)CC[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001170670838 1384360534 /nfs/dbraw/zinc/36/05/34/1384360534.db2.gz UEPNTFUPMQGZHM-KRWDZBQOSA-N 2 0 343.421 3.476 20 0 EGADRP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001312658113 1384363298 /nfs/dbraw/zinc/36/32/98/1384363298.db2.gz CSNCEORHKRUTQU-YQVWRLOYSA-N 2 0 348.535 3.097 20 0 EGADRP C[C@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769256 1384382500 /nfs/dbraw/zinc/38/25/00/1384382500.db2.gz GNBXSIQMLLMRFI-IRXDYDNUSA-N 2 0 343.531 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001170785068 1384384249 /nfs/dbraw/zinc/38/42/49/1384384249.db2.gz NFESHIMZBRSLLK-LJQANCHMSA-N 2 0 349.494 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001170784012 1384384484 /nfs/dbraw/zinc/38/44/84/1384384484.db2.gz CAAKBCLOLGZCIS-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001170876720 1384402915 /nfs/dbraw/zinc/40/29/15/1384402915.db2.gz MRLWPPNRKXZWOC-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171069797 1384441198 /nfs/dbraw/zinc/44/11/98/1384441198.db2.gz VLUKFTKRMJYWDY-OAHLLOKOSA-N 2 0 339.549 3.344 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171069823 1384441263 /nfs/dbraw/zinc/44/12/63/1384441263.db2.gz VSWSGDFYJRNEIJ-IAGOWNOFSA-N 2 0 345.547 3.367 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171122355 1384450200 /nfs/dbraw/zinc/45/02/00/1384450200.db2.gz ZYMODTIQWAANEC-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc(N4CC[NH2+]CC4)c3)c2c1 ZINC001171167507 1384458944 /nfs/dbraw/zinc/45/89/44/1384458944.db2.gz GLJRXMJKAGLQFP-KRWDZBQOSA-N 2 0 348.494 3.238 20 0 EGADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc4c(c3)COC43C[NH2+]C3)c2c1 ZINC001171168324 1384459384 /nfs/dbraw/zinc/45/93/84/1384459384.db2.gz RUJICEBUCSPYDR-OAHLLOKOSA-N 2 0 347.462 3.157 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171235707 1384476428 /nfs/dbraw/zinc/47/64/28/1384476428.db2.gz IUGQWXJMHWMYOB-RTBURBONSA-N 2 0 337.552 3.195 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237171 1384476507 /nfs/dbraw/zinc/47/65/07/1384476507.db2.gz PKVIVKGZJPVHQB-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247676 1384477749 /nfs/dbraw/zinc/47/77/49/1384477749.db2.gz NAKJZMHGTJJJFG-QFBILLFUSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248655 1384478467 /nfs/dbraw/zinc/47/84/67/1384478467.db2.gz WZHHHHCKGDXSPR-APWZRJJASA-N 2 0 337.552 3.172 20 0 EGADRP COc1ccc2[nH+]c(C)cc(N3c4ccccc4OC[C@H]3C[NH3+])c2c1 ZINC001171392156 1384511281 /nfs/dbraw/zinc/51/12/81/1384511281.db2.gz AUDRYOQPOGLKBK-CQSZACIVSA-N 2 0 335.407 3.410 20 0 EGADRP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001335764564 1388926955 /nfs/dbraw/zinc/92/69/55/1388926955.db2.gz OBCOFAGIXNOCJJ-MJQMVNBJSA-N 2 0 336.520 3.208 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509398 1384546316 /nfs/dbraw/zinc/54/63/16/1384546316.db2.gz OXVWHYZMIYAPDK-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C(C)(C)C ZINC001171601716 1384576420 /nfs/dbraw/zinc/57/64/20/1384576420.db2.gz KYHWAYVMGUOAMW-QKPAOTATSA-N 2 0 339.524 3.270 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171619427 1384582205 /nfs/dbraw/zinc/58/22/05/1384582205.db2.gz SOFCZSFKNMVQOZ-GOSISDBHSA-N 2 0 348.535 3.219 20 0 EGADRP CCc1ncnc2c1CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171637262 1384587522 /nfs/dbraw/zinc/58/75/22/1384587522.db2.gz LOKFJFOUFZYNNL-UHFFFAOYSA-N 2 0 330.520 3.091 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001329025016 1388934186 /nfs/dbraw/zinc/93/41/86/1388934186.db2.gz SKDRZXGPPDNLOR-ZDUSSCGKSA-N 2 0 327.875 3.031 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171685759 1384602570 /nfs/dbraw/zinc/60/25/70/1384602570.db2.gz ZWBLMFRJTOSSQS-HOTGVXAUSA-N 2 0 330.476 3.259 20 0 EGADRP C[C@H]1C[C@@H](N2CCC([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171746929 1384624490 /nfs/dbraw/zinc/62/44/90/1384624490.db2.gz UVTQROYTMXWQSX-GHTZIAJQSA-N 2 0 327.516 3.210 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[NH+](CC3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171763200 1384629058 /nfs/dbraw/zinc/62/90/58/1384629058.db2.gz OTKIATNODJLMBE-DENIHFKCSA-N 2 0 341.543 3.457 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2cnn(C(C)C)c21 ZINC001329023505 1388933907 /nfs/dbraw/zinc/93/39/07/1388933907.db2.gz JJWZLVQPGPEZAB-RDTXWAMCSA-N 2 0 327.476 3.354 20 0 EGADRP CC1(C)C[C@H](n2cc3c(n2)CC[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC001171977561 1384701665 /nfs/dbraw/zinc/70/16/65/1384701665.db2.gz CKCCEFOHSKJCHD-RBUKOAKNSA-N 2 0 338.499 3.315 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCOc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171978121 1384702785 /nfs/dbraw/zinc/70/27/85/1384702785.db2.gz IUPGJTSTGHZNDR-LJQANCHMSA-N 2 0 339.483 3.493 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984688 1384703313 /nfs/dbraw/zinc/70/33/13/1384703313.db2.gz XOVSQJFKXYHPAP-IEBWSBKVSA-N 2 0 338.499 3.440 20 0 EGADRP CCOC(=O)[C@H](C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065003 1384717124 /nfs/dbraw/zinc/71/71/24/1384717124.db2.gz GYZAWOYPEQZPKO-RSPOEFSDSA-N 2 0 344.499 3.361 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC001172071213 1384718397 /nfs/dbraw/zinc/71/83/97/1384718397.db2.gz DASOPOBSJHWIID-CIAFKFPVSA-N 2 0 339.527 3.352 20 0 EGADRP Cn1ccnc1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075619 1384720100 /nfs/dbraw/zinc/72/01/00/1384720100.db2.gz CLKMLDVQPSTNLU-OWZKRDHZSA-N 2 0 338.499 3.138 20 0 EGADRP Cc1cccc(C[NH+]2CC[C@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172113742 1384731400 /nfs/dbraw/zinc/73/14/00/1384731400.db2.gz JWMOTCLENMFODZ-XSDIEEQYSA-N 2 0 327.516 3.174 20 0 EGADRP Cc1ccc(C[NH+]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172121138 1384735016 /nfs/dbraw/zinc/73/50/16/1384735016.db2.gz IAFPVKUZLSGIJV-WKCHPHFGSA-N 2 0 327.516 3.128 20 0 EGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127360 1384736424 /nfs/dbraw/zinc/73/64/24/1384736424.db2.gz IPYOTYDJGJFEHO-FNAHDJPLSA-N 2 0 341.543 3.456 20 0 EGADRP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172198593 1384746265 /nfs/dbraw/zinc/74/62/65/1384746265.db2.gz QQOKLLMJENRBBQ-GOSISDBHSA-N 2 0 339.508 3.134 20 0 EGADRP COc1ccccc1C[N@@H+](C1C[C@@H]2C=C[C@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172235750 1384753786 /nfs/dbraw/zinc/75/37/86/1384753786.db2.gz XNBHBIQLPCVRTJ-LJRDSGNISA-N 2 0 342.483 3.253 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)COc2c(C)cccc2C)CC1 ZINC001172246818 1384754933 /nfs/dbraw/zinc/75/49/33/1384754933.db2.gz VDYZEMRUYAEEII-SFHVURJKSA-N 2 0 334.504 3.161 20 0 EGADRP CCc1cc2c(cc1CC)CC([NH2+]C1CC[NH+](CCCOC)CC1)C2 ZINC001172250657 1384756219 /nfs/dbraw/zinc/75/62/19/1384756219.db2.gz USTNXSYOQURCMP-UHFFFAOYSA-N 2 0 344.543 3.369 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[NH+](C)CC2)C[C@H]1C ZINC001172357347 1384777352 /nfs/dbraw/zinc/77/73/52/1384777352.db2.gz CQQDEJPMVJZGAT-DBXWQHBBSA-N 2 0 329.532 3.348 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172475076 1384801518 /nfs/dbraw/zinc/80/15/18/1384801518.db2.gz CVDPDTCCYBPLHW-HXUWFJFHSA-N 2 0 341.584 3.177 20 0 EGADRP COC1CC[NH+](C2CC[NH+]([C@H](C)CCOCC(C)C)CC2)CC1 ZINC001172482481 1384802884 /nfs/dbraw/zinc/80/28/84/1384802884.db2.gz ZLXGXFHUKDLXNC-QGZVFWFLSA-N 2 0 326.525 3.013 20 0 EGADRP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172630017 1384822637 /nfs/dbraw/zinc/82/26/37/1384822637.db2.gz BTTZYGQXVKJFEK-WCXIOVBPSA-N 2 0 339.524 3.414 20 0 EGADRP CC1(C)CC([NH+]2CCC([NH3+])(Cc3cccnc3)CC2)CC(C)(C)O1 ZINC001172654076 1384826490 /nfs/dbraw/zinc/82/64/90/1384826490.db2.gz WGZWBYQMKIFVIZ-UHFFFAOYSA-N 2 0 331.504 3.154 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172749695 1384843195 /nfs/dbraw/zinc/84/31/95/1384843195.db2.gz BQGBVXRSKUHQJH-KRWDZBQOSA-N 2 0 332.488 3.143 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172752156 1384844096 /nfs/dbraw/zinc/84/40/96/1384844096.db2.gz MSUVJHBITOIOOY-INIZCTEOSA-N 2 0 326.525 3.454 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172757172 1384844887 /nfs/dbraw/zinc/84/48/87/1384844887.db2.gz UIIRYVWYNZCVGG-HKUYNNGSSA-N 2 0 332.488 3.218 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001172781396 1384851179 /nfs/dbraw/zinc/85/11/79/1384851179.db2.gz WYWOOCZWRLOTDE-QAPCUYQASA-N 2 0 348.462 3.197 20 0 EGADRP C[C@@H](CSc1ccc(Cl)cc1)N1CC[NH+](CCCC[NH3+])CC1 ZINC001172874638 1384870813 /nfs/dbraw/zinc/87/08/13/1384870813.db2.gz ZZVWGPCHTKUNMV-HNNXBMFYSA-N 2 0 341.952 3.177 20 0 EGADRP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001172942396 1384884719 /nfs/dbraw/zinc/88/47/19/1384884719.db2.gz OURVHINMCPMPIQ-WOJBJXKFSA-N 2 0 343.515 3.327 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCCC[NH+]1CCCC1 ZINC001172944295 1384885706 /nfs/dbraw/zinc/88/57/06/1384885706.db2.gz RAVAEVFULPIIAZ-MRXNPFEDSA-N 2 0 327.513 3.098 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173054830 1384902618 /nfs/dbraw/zinc/90/26/18/1384902618.db2.gz PGUBAHJPCQQZCL-IRXDYDNUSA-N 2 0 339.524 3.240 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173061523 1384904394 /nfs/dbraw/zinc/90/43/94/1384904394.db2.gz DYNWCOOKYGUXOO-CABCVRRESA-N 2 0 327.513 3.094 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001317140726 1384908113 /nfs/dbraw/zinc/90/81/13/1384908113.db2.gz SFQUTDIHVKOUGN-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC001173100943 1384914875 /nfs/dbraw/zinc/91/48/75/1384914875.db2.gz AQGLSDOOVYQTPL-UHFFFAOYSA-N 2 0 345.531 3.266 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)C3CC3)CC2)CC1 ZINC001173106119 1384915528 /nfs/dbraw/zinc/91/55/28/1384915528.db2.gz IQWLQJUFYLOVII-BIZGZAPZSA-N 2 0 335.536 3.066 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173106228 1384915572 /nfs/dbraw/zinc/91/55/72/1384915572.db2.gz RASBTYHXRQSXTE-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP CCn1ncc2c1[C@@H](COC)C[N@@H+](C1CCC([NH+](CC)CC)CC1)C2 ZINC001173112276 1384917306 /nfs/dbraw/zinc/91/73/06/1384917306.db2.gz ZLQPRIYENYDBEG-LMDPOFIKSA-N 2 0 348.535 3.102 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3ccncc3C)C2)CC1 ZINC001173113255 1384917564 /nfs/dbraw/zinc/91/75/64/1384917564.db2.gz IRJMZKRFRBGZFQ-CTWPCTMYSA-N 2 0 331.504 3.496 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3ccc(OC)cn3)C2)CC1 ZINC001173113850 1384917947 /nfs/dbraw/zinc/91/79/47/1384917947.db2.gz MYLRSEURXUWHMA-FAFZWHIHSA-N 2 0 347.503 3.196 20 0 EGADRP CCOC(=O)N1CCC([N@H+](C)C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173115235 1384918499 /nfs/dbraw/zinc/91/84/99/1384918499.db2.gz ZTFBJUCZECJVOC-UHFFFAOYSA-N 2 0 339.524 3.192 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173131620 1384920546 /nfs/dbraw/zinc/92/05/46/1384920546.db2.gz LFJIOGXJUBJSMR-ULQDDVLXSA-N 2 0 342.512 3.168 20 0 EGADRP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001173257369 1384946493 /nfs/dbraw/zinc/94/64/93/1384946493.db2.gz SSLAWJLQCWMEKO-KZNAEPCWSA-N 2 0 325.541 3.170 20 0 EGADRP CC[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279970 1384949998 /nfs/dbraw/zinc/94/99/98/1384949998.db2.gz NHKBDMNUWNSRJT-FYZZASKESA-N 2 0 343.515 3.183 20 0 EGADRP CCSC[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001173305291 1384955046 /nfs/dbraw/zinc/95/50/46/1384955046.db2.gz IMSXXNWPVIKWLX-GOSISDBHSA-N 2 0 348.556 3.495 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001173364106 1384964768 /nfs/dbraw/zinc/96/47/68/1384964768.db2.gz TYTKGMVGYNXVFQ-JOCHJYFZSA-N 2 0 349.522 3.488 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001317196342 1384970259 /nfs/dbraw/zinc/97/02/59/1384970259.db2.gz AHDTYLHPFUGBCL-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001173443960 1384972165 /nfs/dbraw/zinc/97/21/65/1384972165.db2.gz FKSQMYCYOFTEOG-OAHLLOKOSA-N 2 0 336.451 3.197 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001317198263 1384972593 /nfs/dbraw/zinc/97/25/93/1384972593.db2.gz DPGOQPRDUWMRHR-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1C(C)(C)CC([NH3+])CC1(C)C)CC2 ZINC001173602685 1384985642 /nfs/dbraw/zinc/98/56/42/1384985642.db2.gz BJYRGDSMZIAISU-NGEICVOHSA-N 2 0 336.520 3.479 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH+]2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001173716226 1385007923 /nfs/dbraw/zinc/00/79/23/1385007923.db2.gz UMVIXQYCZJUFFX-CQSZACIVSA-N 2 0 332.488 3.385 20 0 EGADRP CCc1cccc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001317445891 1385146704 /nfs/dbraw/zinc/14/67/04/1385146704.db2.gz MRFKKWGVEPNTBH-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1c(C)ccc2ccccc21 ZINC001317468018 1385161799 /nfs/dbraw/zinc/16/17/99/1385161799.db2.gz NXYMANPMEGLPOK-UHFFFAOYSA-N 2 0 341.499 3.038 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)C1 ZINC001174881941 1385164538 /nfs/dbraw/zinc/16/45/38/1385164538.db2.gz MTAPYEWUZWBZDU-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174929609 1385171361 /nfs/dbraw/zinc/17/13/61/1385171361.db2.gz QXYHYXWHLFFGEW-INIZCTEOSA-N 2 0 335.492 3.186 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175048052 1385186107 /nfs/dbraw/zinc/18/61/07/1385186107.db2.gz FQBBRTGIXJWDNT-ZWKOTPCHSA-N 2 0 339.568 3.275 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175048864 1385186139 /nfs/dbraw/zinc/18/61/39/1385186139.db2.gz LUGWMBZQCKQWSK-GOSISDBHSA-N 2 0 333.520 3.020 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(Cl)s1)NC(=O)CC[NH+](C)C ZINC001175047751 1385186155 /nfs/dbraw/zinc/18/61/55/1385186155.db2.gz BEBGSZIRWLXFEG-ZDUSSCGKSA-N 2 0 345.940 3.118 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1sccc1Cl)NC(=O)CC[NH+](C)C ZINC001175049359 1385186540 /nfs/dbraw/zinc/18/65/40/1385186540.db2.gz VBYJSSSLXCJGNB-CYBMUJFWSA-N 2 0 345.940 3.118 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001175114472 1385197219 /nfs/dbraw/zinc/19/72/19/1385197219.db2.gz ASMXJQLXMXEKDE-FUHWJXTLSA-N 2 0 339.568 3.273 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262703 1385233085 /nfs/dbraw/zinc/23/30/85/1385233085.db2.gz KDZHSRKYYRBXDF-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001175317578 1385250680 /nfs/dbraw/zinc/25/06/80/1385250680.db2.gz PZEOUFJMUWYAJC-SJORKVTESA-N 2 0 327.557 3.418 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175318319 1385251825 /nfs/dbraw/zinc/25/18/25/1385251825.db2.gz YJPJYDWLQVNFDI-UIVAWZFMSA-N 2 0 325.541 3.338 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)c1ccc(F)cc1 ZINC001317543588 1385286537 /nfs/dbraw/zinc/28/65/37/1385286537.db2.gz XXDUAVBCGBHFLO-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC[NH+](CCC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001317552485 1385313156 /nfs/dbraw/zinc/31/31/56/1385313156.db2.gz KBBQTFOUHNHSKF-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001175574046 1385336904 /nfs/dbraw/zinc/33/69/04/1385336904.db2.gz SYNULKKFLPCQDT-ZJJGVRJWSA-N 2 0 343.943 3.266 20 0 EGADRP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001317672024 1385378163 /nfs/dbraw/zinc/37/81/63/1385378163.db2.gz PUAQLIBOXTVODN-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175731038 1385388716 /nfs/dbraw/zinc/38/87/16/1385388716.db2.gz QPAAOOPXVIUUKU-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001175769393 1385400046 /nfs/dbraw/zinc/40/00/46/1385400046.db2.gz RUWPTCNBGPILDD-IBGZPJMESA-N 2 0 347.547 3.144 20 0 EGADRP CN(c1ccc(OCC[NH+]2CCCCC2)cc1)c1cc(N)cc[nH+]1 ZINC001175800410 1385408322 /nfs/dbraw/zinc/40/83/22/1385408322.db2.gz VCHPXVXBPWMSPR-UHFFFAOYSA-N 2 0 326.444 3.296 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873832 1385426945 /nfs/dbraw/zinc/42/69/45/1385426945.db2.gz MJYLXTDIVKHQQT-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175875138 1385427466 /nfs/dbraw/zinc/42/74/66/1385427466.db2.gz YINXSSXHSFZDHD-VOFKWLDRSA-N 2 0 337.552 3.339 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874357 1385427764 /nfs/dbraw/zinc/42/77/64/1385427764.db2.gz RXBPDCXIYFKTAH-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP COc1cc(Nc2ccc(C[NH3+])cc2)ccc1OCC[NH+]1CCCC1 ZINC001175972990 1385448860 /nfs/dbraw/zinc/44/88/60/1385448860.db2.gz MSDCABLEFRXUAW-UHFFFAOYSA-N 2 0 341.455 3.372 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176024953 1385463976 /nfs/dbraw/zinc/46/39/76/1385463976.db2.gz VOTUASIZYAIAAK-CVEARBPZSA-N 2 0 347.494 3.028 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001176024646 1385464058 /nfs/dbraw/zinc/46/40/58/1385464058.db2.gz QFUGCABQKTWYEX-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120138 1385489303 /nfs/dbraw/zinc/48/93/03/1385489303.db2.gz JLQVFVAQUJYNAQ-IEBWSBKVSA-N 2 0 333.520 3.354 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120137 1385489548 /nfs/dbraw/zinc/48/95/48/1385489548.db2.gz JLQVFVAQUJYNAQ-HKUYNNGSSA-N 2 0 333.520 3.354 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165193 1385500760 /nfs/dbraw/zinc/50/07/60/1385500760.db2.gz JCTUIEDACJPGBW-FNYRVFDFSA-N 2 0 337.552 3.339 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176166143 1385501303 /nfs/dbraw/zinc/50/13/03/1385501303.db2.gz QCDGAJLVEUTYSI-OALUTQOASA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176183330 1385504125 /nfs/dbraw/zinc/50/41/25/1385504125.db2.gz ACXPKRXMVPJNDK-GOSISDBHSA-N 2 0 347.547 3.237 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176279640 1385536792 /nfs/dbraw/zinc/53/67/92/1385536792.db2.gz OQTYDHVQJUMHSJ-ATEOEAFZSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176286746 1385539723 /nfs/dbraw/zinc/53/97/23/1385539723.db2.gz XKJJGHWUOGXOHF-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176285773 1385540027 /nfs/dbraw/zinc/54/00/27/1385540027.db2.gz RBYLWQYRRJZGEF-ZWKOTPCHSA-N 2 0 333.520 3.354 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001176327122 1385552656 /nfs/dbraw/zinc/55/26/56/1385552656.db2.gz AYDMBHALHXJFKU-LJQANCHMSA-N 2 0 345.531 3.418 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1)[NH+](C)C ZINC001317985103 1385599868 /nfs/dbraw/zinc/59/98/68/1385599868.db2.gz MRTSHMWFCBRHRP-FHWLQOOXSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)C[NH+]1CCCC1 ZINC001176573980 1385629429 /nfs/dbraw/zinc/62/94/29/1385629429.db2.gz POKYUCWWGZPQTJ-QGZVFWFLSA-N 2 0 349.494 3.017 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)C[NH+]1CCCC1 ZINC001176575345 1385630447 /nfs/dbraw/zinc/63/04/47/1385630447.db2.gz ZNFFYGKGKLLMEZ-JLAWEPINSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001176745572 1385680119 /nfs/dbraw/zinc/68/01/19/1385680119.db2.gz BERZFLRGFMZFAF-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001176752952 1385682982 /nfs/dbraw/zinc/68/29/82/1385682982.db2.gz BOWGOLKXYHYOJQ-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753348 1385684233 /nfs/dbraw/zinc/68/42/33/1385684233.db2.gz GNEQEKSOIGBYPE-ROUUACIJSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176759582 1385687084 /nfs/dbraw/zinc/68/70/84/1385687084.db2.gz KSQGICANJSBANN-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001318484740 1385718522 /nfs/dbraw/zinc/71/85/22/1385718522.db2.gz ZAUOTBYAYAILLN-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001176884525 1385730884 /nfs/dbraw/zinc/73/08/84/1385730884.db2.gz LPOWYOJDQAYKSR-RTBURBONSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001176884301 1385730969 /nfs/dbraw/zinc/73/09/69/1385730969.db2.gz ATUUMYUOQUPXKV-LJQANCHMSA-N 2 0 345.531 3.336 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001176890360 1385734351 /nfs/dbraw/zinc/73/43/51/1385734351.db2.gz RJQWBHRHJQTMKH-KRWDZBQOSA-N 2 0 339.483 3.219 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001176971522 1385760280 /nfs/dbraw/zinc/76/02/80/1385760280.db2.gz BFYLTSSNBGZANV-QGZVFWFLSA-N 2 0 333.520 3.307 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177316818 1385911188 /nfs/dbraw/zinc/91/11/88/1385911188.db2.gz HNUWHKCGFQKWPJ-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001319286368 1386043627 /nfs/dbraw/zinc/04/36/27/1386043627.db2.gz VNIFPRMZSZEMNH-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)C3([NH+](C)C)CCC3)CCCC2)cs1 ZINC001319361937 1386078891 /nfs/dbraw/zinc/07/88/91/1386078891.db2.gz PKHRNTJQMDFUSS-UHFFFAOYSA-N 2 0 349.544 3.059 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001178045184 1386114712 /nfs/dbraw/zinc/11/47/12/1386114712.db2.gz FXKQYUMTNNCAIC-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001178045517 1386115031 /nfs/dbraw/zinc/11/50/31/1386115031.db2.gz NDEWDOBKFCCSJV-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CCc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001178045640 1386115840 /nfs/dbraw/zinc/11/58/40/1386115840.db2.gz QOMUBVRMWDWMFI-HXUWFJFHSA-N 2 0 345.531 3.109 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001319535162 1386165749 /nfs/dbraw/zinc/16/57/49/1386165749.db2.gz VSBVNRYJQRBTJQ-APWZRJJASA-N 2 0 347.547 3.261 20 0 EGADRP C[C@H]([NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC001698634350 1406279089 /nfs/dbraw/zinc/27/90/89/1406279089.db2.gz OKJNHEQIMQBWRX-KRWDZBQOSA-N 2 0 343.515 3.108 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]CC2CCCCC2)CCC1 ZINC001178693487 1386279776 /nfs/dbraw/zinc/27/97/76/1386279776.db2.gz UFVRXCITSHFEMA-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178692998 1386279802 /nfs/dbraw/zinc/27/98/02/1386279802.db2.gz GRRAMRFCWZHOHL-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001178705616 1386285177 /nfs/dbraw/zinc/28/51/77/1386285177.db2.gz VYIOPESDBNTAQH-SFHVURJKSA-N 2 0 345.531 3.498 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1)[NH+](C)C ZINC001178816021 1386315673 /nfs/dbraw/zinc/31/56/73/1386315673.db2.gz RPXPKZTXKXIEMJ-JKSUJKDBSA-N 2 0 347.494 3.028 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001178833030 1386322018 /nfs/dbraw/zinc/32/20/18/1386322018.db2.gz NGKLYNDWHAKSMW-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178890024 1386339403 /nfs/dbraw/zinc/33/94/03/1386339403.db2.gz FOWVUAMZQHJLJI-PMEOWRCESA-N 2 0 335.536 3.185 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178891410 1386340290 /nfs/dbraw/zinc/34/02/90/1386340290.db2.gz RTXOKDUZNOUKSR-OTWHNJEPSA-N 2 0 337.552 3.265 20 0 EGADRP Cc1c(C(=O)NCCCCCC[NH2+]CC[C@H](C)F)ccc2c[nH+]cn21 ZINC001178908475 1386345681 /nfs/dbraw/zinc/34/56/81/1386345681.db2.gz UCSCCQCHNCBYBI-HNNXBMFYSA-N 2 0 348.466 3.271 20 0 EGADRP CO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCC2 ZINC001178916643 1386347924 /nfs/dbraw/zinc/34/79/24/1386347924.db2.gz LBCCCWGFIJDPFB-PMACEKPBSA-N 2 0 344.499 3.208 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179078989 1386394469 /nfs/dbraw/zinc/39/44/69/1386394469.db2.gz BMJSLLRQEKKGDE-BXWFABGCSA-N 2 0 342.487 3.209 20 0 EGADRP CC[C@H]([NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C)c1ccccc1 ZINC001319943031 1386406113 /nfs/dbraw/zinc/40/61/13/1386406113.db2.gz HPNXGLYTLVYMBG-PMACEKPBSA-N 2 0 345.531 3.210 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001320008150 1386449594 /nfs/dbraw/zinc/44/95/94/1386449594.db2.gz DFHDVIBAEMZKDG-IBGZPJMESA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)C1 ZINC001179358022 1386462926 /nfs/dbraw/zinc/46/29/26/1386462926.db2.gz QPGPBMZALJLTJL-ZWKOTPCHSA-N 2 0 343.531 3.123 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179392849 1386473155 /nfs/dbraw/zinc/47/31/55/1386473155.db2.gz MUMCRAJOQCOAMA-SFHVURJKSA-N 2 0 339.568 3.277 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179463756 1386488652 /nfs/dbraw/zinc/48/86/52/1386488652.db2.gz JYSCVJLPAAFGJJ-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179525811 1386506244 /nfs/dbraw/zinc/50/62/44/1386506244.db2.gz QLAIXEWAGVJOKG-SZMVWBNQSA-N 2 0 325.541 3.122 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc2c[nH+]cn21 ZINC001320101264 1386512527 /nfs/dbraw/zinc/51/25/27/1386512527.db2.gz BTSOLMZDZDJEST-ZBFHGGJFSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179580825 1386522415 /nfs/dbraw/zinc/52/24/15/1386522415.db2.gz RONXVYZSTSWOMR-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652054 1386540912 /nfs/dbraw/zinc/54/09/12/1386540912.db2.gz MFUSPWGSESQEFO-CMZLPQLFSA-N 2 0 335.536 3.186 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652003 1386541073 /nfs/dbraw/zinc/54/10/73/1386541073.db2.gz KFPMFNWRXWSKME-SCTDSRPQSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001179720080 1386564619 /nfs/dbraw/zinc/56/46/19/1386564619.db2.gz WTZQKBYCPFLWBV-PXNSSMCTSA-N 2 0 345.531 3.377 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001320359073 1386586842 /nfs/dbraw/zinc/58/68/42/1386586842.db2.gz GDKDDKSIGDCATB-PXNSSMCTSA-N 2 0 338.499 3.005 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001179846540 1386605658 /nfs/dbraw/zinc/60/56/58/1386605658.db2.gz IYUQMEIPPIDWIW-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179964635 1386650693 /nfs/dbraw/zinc/65/06/93/1386650693.db2.gz DEDZUKGIOFNASR-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC001179967801 1386652421 /nfs/dbraw/zinc/65/24/21/1386652421.db2.gz JGGYKCISCZWLPS-QWXNRMGCSA-N 2 0 343.515 3.011 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180060496 1386682886 /nfs/dbraw/zinc/68/28/86/1386682886.db2.gz FHOWNWDZQOIENO-UEKDZROGSA-N 2 0 337.552 3.341 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C ZINC001180095456 1386695790 /nfs/dbraw/zinc/69/57/90/1386695790.db2.gz AEVVYSLQFDFBGN-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001180123197 1386704090 /nfs/dbraw/zinc/70/40/90/1386704090.db2.gz AGACIBHYDPFRIP-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320758096 1386710430 /nfs/dbraw/zinc/71/04/30/1386710430.db2.gz BCVQMPZOUGJYDP-MJGOQNOKSA-N 2 0 333.520 3.080 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)cc1 ZINC001180226963 1386738630 /nfs/dbraw/zinc/73/86/30/1386738630.db2.gz VVGCZPJLNIDVLD-PXNSSMCTSA-N 2 0 345.531 3.229 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H]1C ZINC001180226659 1386738819 /nfs/dbraw/zinc/73/88/19/1386738819.db2.gz FSEXRCFJXCIBJH-FBAPOHRVSA-N 2 0 343.515 3.009 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180351399 1386771581 /nfs/dbraw/zinc/77/15/81/1386771581.db2.gz BEMQLMLBPRDFKW-KDURUIRLSA-N 2 0 345.531 3.326 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001180365955 1386775355 /nfs/dbraw/zinc/77/53/55/1386775355.db2.gz QHANFZNIYSGLHI-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC001321267834 1386861005 /nfs/dbraw/zinc/86/10/05/1386861005.db2.gz KYPBORRPALYNON-IEBWSBKVSA-N 2 0 333.495 3.446 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001181865676 1387066510 /nfs/dbraw/zinc/06/65/10/1387066510.db2.gz ZOOVJSGENJTJIG-UHFFFAOYSA-N 2 0 337.552 3.364 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589948 1387192835 /nfs/dbraw/zinc/19/28/35/1387192835.db2.gz LIGFUQYRAVDMCL-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001182822581 1387230049 /nfs/dbraw/zinc/23/00/49/1387230049.db2.gz KTKARJJIBUSCGJ-DYWSFYFFSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001182911065 1387245108 /nfs/dbraw/zinc/24/51/08/1387245108.db2.gz VYSRTHPOFTZSPO-QWFCFKBJSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001182953337 1387250460 /nfs/dbraw/zinc/25/04/60/1387250460.db2.gz CUVRRDJEPPCUNQ-MRXNPFEDSA-N 2 0 337.533 3.194 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001182977568 1387252677 /nfs/dbraw/zinc/25/26/77/1387252677.db2.gz BBBRLMRJBRARNI-WBWXQYNJSA-N 2 0 349.563 3.149 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@H+](CC)C2)c1 ZINC001329225791 1389027824 /nfs/dbraw/zinc/02/78/24/1389027824.db2.gz MOOBSIZVDIWIPK-OAHLLOKOSA-N 2 0 348.491 3.152 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001329426475 1389106678 /nfs/dbraw/zinc/10/66/78/1389106678.db2.gz DIAMSRHVVQFSSA-QGZVFWFLSA-N 2 0 348.560 3.406 20 0 EGADRP [NH3+]CCC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)CC1CCCC1 ZINC001329498987 1389131673 /nfs/dbraw/zinc/13/16/73/1389131673.db2.gz JWXPKGUYTDNFDJ-UHFFFAOYSA-N 2 0 343.515 3.264 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336778703 1389167583 /nfs/dbraw/zinc/16/75/83/1389167583.db2.gz AGEAHDJSAHHFQQ-NQIIRXRSSA-N 2 0 340.511 3.453 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)CC1CCCCC1 ZINC001329623135 1389189052 /nfs/dbraw/zinc/18/90/52/1389189052.db2.gz IFPITVIDACZADO-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP CSc1ccccc1[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001329801860 1389227253 /nfs/dbraw/zinc/22/72/53/1389227253.db2.gz YMOULDJURPFAOF-CQSZACIVSA-N 2 0 328.485 3.386 20 0 EGADRP Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001337335800 1389308742 /nfs/dbraw/zinc/30/87/42/1389308742.db2.gz CIVATTYVLMLIQR-HUUCEWRRSA-N 2 0 342.487 3.129 20 0 EGADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001331022811 1389599586 /nfs/dbraw/zinc/59/95/86/1389599586.db2.gz QGVLFYNAQCPAAH-HNNXBMFYSA-N 2 0 343.393 3.238 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001339093816 1389897463 /nfs/dbraw/zinc/89/74/63/1389897463.db2.gz LTEADCXERMTDMT-UHFFFAOYSA-N 3 0 343.475 3.416 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001332292657 1390077787 /nfs/dbraw/zinc/07/77/87/1390077787.db2.gz NFBSYPLLUKZHGT-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC001332839878 1390198114 /nfs/dbraw/zinc/19/81/14/1390198114.db2.gz BEILKRWPSFAJBG-SJLPKXTDSA-N 2 0 333.520 3.210 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC(C)(C)C[NH3+])cc1 ZINC001340034757 1390212016 /nfs/dbraw/zinc/21/20/16/1390212016.db2.gz XFOVKOCWJYTITA-INIZCTEOSA-N 2 0 331.504 3.052 20 0 EGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])CC(C)C ZINC001340105608 1390226829 /nfs/dbraw/zinc/22/68/29/1390226829.db2.gz ONEPGCVTLOWRDV-PMACEKPBSA-N 2 0 345.531 3.121 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]1CCCCC12CC[NH2+]CC2)C1CCCCC1 ZINC001340810023 1390373938 /nfs/dbraw/zinc/37/39/38/1390373938.db2.gz UDQNSXLOIDWRMZ-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)c2)CC1 ZINC001341889145 1390545087 /nfs/dbraw/zinc/54/50/87/1390545087.db2.gz QSRMUAISEBWICC-XUVXKRRUSA-N 2 0 341.499 3.040 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343333051 1390707687 /nfs/dbraw/zinc/70/76/87/1390707687.db2.gz MGKGPYWCJVUAAY-BZSNNMDCSA-N 2 0 332.536 3.417 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCC(F)F)C[C@H]2C1 ZINC001343335355 1390707806 /nfs/dbraw/zinc/70/78/06/1390707806.db2.gz XCUXQZCMWHKZIE-USXIJHARSA-N 2 0 338.442 3.493 20 0 EGADRP CCC[C@H](NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001346016332 1390901225 /nfs/dbraw/zinc/90/12/25/1390901225.db2.gz ALCPAHASMPWGCT-IBGZPJMESA-N 2 0 343.515 3.110 20 0 EGADRP CC(C)c1noc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001347136035 1391009047 /nfs/dbraw/zinc/00/90/47/1391009047.db2.gz DKCWTNNPZCJOTP-SJLPKXTDSA-N 2 0 342.487 3.236 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001349773690 1391365164 /nfs/dbraw/zinc/36/51/64/1391365164.db2.gz MVTWDGCAYWFCRC-QGZVFWFLSA-N 2 0 325.456 3.281 20 0 EGADRP Cc1ccccc1NC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001349910299 1391383926 /nfs/dbraw/zinc/38/39/26/1391383926.db2.gz APSHASLNACQAAG-IBGZPJMESA-N 2 0 336.483 3.496 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@H]2C1 ZINC001352113161 1391761029 /nfs/dbraw/zinc/76/10/29/1391761029.db2.gz QAOGMNMSKOFNBU-QJPTWQEYSA-N 2 0 333.423 3.324 20 0 EGADRP CC[N@H+](CCCNC(=O)c1cc2c(s1)C[NH2+]CC2)C1CCCCC1 ZINC001354179297 1392125292 /nfs/dbraw/zinc/12/52/92/1392125292.db2.gz JPIHIVRUOQSPHD-UHFFFAOYSA-N 2 0 349.544 3.168 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001479571798 1392278526 /nfs/dbraw/zinc/27/85/26/1392278526.db2.gz CNANPJQOXVPIFT-HBFSDRIKSA-N 2 0 345.531 3.306 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001479890651 1392461516 /nfs/dbraw/zinc/46/15/16/1392461516.db2.gz AJYVTBGXFNALFQ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001479895545 1392464086 /nfs/dbraw/zinc/46/40/86/1392464086.db2.gz LUCGRESOGUREMJ-DNVCBOLYSA-N 2 0 349.494 3.150 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1)C1CCC1 ZINC001479905094 1392472340 /nfs/dbraw/zinc/47/23/40/1392472340.db2.gz QKPJKYNHLJBABN-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001698860889 1406570666 /nfs/dbraw/zinc/57/06/66/1406570666.db2.gz QKWOXQDZXROLLH-MOPGFXCFSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1C ZINC001480359228 1392704372 /nfs/dbraw/zinc/70/43/72/1392704372.db2.gz KKJJQWCAMJKNTK-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001480537052 1392783695 /nfs/dbraw/zinc/78/36/95/1392783695.db2.gz AWYYOFNJVSIZBB-UZLBHIALSA-N 2 0 341.499 3.083 20 0 EGADRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001480793920 1392937425 /nfs/dbraw/zinc/93/74/25/1392937425.db2.gz QPEZQESCHGWDKZ-HZPDHXFCSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1ccccc1C(C)C ZINC001480951828 1393043713 /nfs/dbraw/zinc/04/37/13/1393043713.db2.gz OBXRRZKAWWFANV-FQEVSTJZSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1c(C)cccc1C ZINC001480973966 1393058969 /nfs/dbraw/zinc/05/89/69/1393058969.db2.gz CAECBAIBDDQHSJ-HXUWFJFHSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1)[NH+](C)C ZINC001481059619 1393109697 /nfs/dbraw/zinc/10/96/97/1393109697.db2.gz UERMZPKRLFELCE-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001481231509 1393151713 /nfs/dbraw/zinc/15/17/13/1393151713.db2.gz DHKMHTAPVQLKFH-SQGPQFPESA-N 2 0 345.531 3.259 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001481286832 1393158594 /nfs/dbraw/zinc/15/85/94/1393158594.db2.gz CLHVDYKMBRTVOI-VQTJNVASSA-N 2 0 345.531 3.449 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490778940 1394343012 /nfs/dbraw/zinc/34/30/12/1394343012.db2.gz YNLIOWSQIDGICQ-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC001481520586 1394370837 /nfs/dbraw/zinc/37/08/37/1394370837.db2.gz VYJADRCAAYQZFV-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481629710 1394425316 /nfs/dbraw/zinc/42/53/16/1394425316.db2.gz TVAHLGCWQKDDOW-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001491109951 1394431515 /nfs/dbraw/zinc/43/15/15/1394431515.db2.gz OJOJHALLMAWMQH-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001491128234 1394444163 /nfs/dbraw/zinc/44/41/63/1394444163.db2.gz KOPMQBZBDVELRX-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F ZINC001491273835 1394500459 /nfs/dbraw/zinc/50/04/59/1394500459.db2.gz MNSFTMVNFMCMPO-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481779678 1394525262 /nfs/dbraw/zinc/52/52/62/1394525262.db2.gz WFKUQMNGGZYQIQ-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001482433138 1394994206 /nfs/dbraw/zinc/99/42/06/1394994206.db2.gz JDESKHIKYMNGHO-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001482497138 1395048688 /nfs/dbraw/zinc/04/86/88/1395048688.db2.gz BSDQPSLIJIYBLN-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001483945832 1395156185 /nfs/dbraw/zinc/15/61/85/1395156185.db2.gz JCGBKEDHTYRCBX-MOPGFXCFSA-N 2 0 337.552 3.410 20 0 EGADRP CC1CC(C[NH2+]C[C@]2(C)CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001484093033 1395246922 /nfs/dbraw/zinc/24/69/22/1395246922.db2.gz DPSZMRYWZWIMFE-NGICGMGXSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001484171835 1395313121 /nfs/dbraw/zinc/31/31/21/1395313121.db2.gz APFVOPOIGIENQB-WIYYLYMNSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001484716238 1395476792 /nfs/dbraw/zinc/47/67/92/1395476792.db2.gz GHKUQSCPWWNFGR-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001484982959 1395622471 /nfs/dbraw/zinc/62/24/71/1395622471.db2.gz USJRQWZREIYUAC-CSXIPAGWSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1F ZINC001485930695 1396170215 /nfs/dbraw/zinc/17/02/15/1396170215.db2.gz WNINPUIBMJAZRR-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001690606397 1404649618 /nfs/dbraw/zinc/64/96/18/1404649618.db2.gz MEKORFVQUDNLPC-ZWKOTPCHSA-N 2 0 345.531 3.497 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690718690 1404696949 /nfs/dbraw/zinc/69/69/49/1404696949.db2.gz MQZZEKLWQGKIDL-QGZVFWFLSA-N 2 0 342.487 3.131 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001690815715 1404750264 /nfs/dbraw/zinc/75/02/64/1404750264.db2.gz WYYMAAUSZZFBIG-MSOLQXFVSA-N 2 0 325.541 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2cccc(CC)c2)C1 ZINC001690824282 1404760608 /nfs/dbraw/zinc/76/06/08/1404760608.db2.gz AAEOIKZBCNFEOO-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)c1ccc(C(C)C)cc1 ZINC001691012100 1404928001 /nfs/dbraw/zinc/92/80/01/1404928001.db2.gz SGFFXMVUVKBWEX-XLIONFOSSA-N 2 0 345.531 3.403 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cccc(C)c1 ZINC001691020230 1404934432 /nfs/dbraw/zinc/93/44/32/1404934432.db2.gz PZSPJBYYMQUMKV-ICSRJNTNSA-N 2 0 345.531 3.367 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1ccccc1F ZINC001691044717 1404955332 /nfs/dbraw/zinc/95/53/32/1404955332.db2.gz DPCTXGHDOMOXGV-KRWDZBQOSA-N 2 0 349.494 3.057 20 0 EGADRP CC1CC(C[NH+]2CCC3(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C3)CC2)C1 ZINC001691274954 1405187045 /nfs/dbraw/zinc/18/70/45/1405187045.db2.gz IHOKVNRXLUAIGT-JLAWEPINSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC(C)(C)C)CC1 ZINC001691670144 1405402748 /nfs/dbraw/zinc/40/27/48/1405402748.db2.gz IJNUMLGLFBGACL-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001698577592 1406187677 /nfs/dbraw/zinc/18/76/77/1406187677.db2.gz QMUYHIUSVPFQAV-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+](C)C ZINC001698588819 1406210122 /nfs/dbraw/zinc/21/01/22/1406210122.db2.gz UNZJYPHRECGVIC-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001732101463 1428361780 /nfs/dbraw/zinc/36/17/80/1428361780.db2.gz NPELJNABSFLWRR-ROUUACIJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1C ZINC001732222833 1428471543 /nfs/dbraw/zinc/47/15/43/1428471543.db2.gz ORXCQRJBVVINRM-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C1CCCCC1)CC2 ZINC001732329414 1428536391 /nfs/dbraw/zinc/53/63/91/1428536391.db2.gz GUPDDLGQMQXZRU-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001732345191 1428542585 /nfs/dbraw/zinc/54/25/85/1428542585.db2.gz BDPRXSJWAHSDNA-KRWDZBQOSA-N 2 0 345.531 3.136 20 0 EGADRP CC[NH2+]C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C1CCCCC1 ZINC001732477107 1428603013 /nfs/dbraw/zinc/60/30/13/1428603013.db2.gz JJNFGXDVSGCRLF-HXUWFJFHSA-N 2 0 345.531 3.079 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001732525982 1428645118 /nfs/dbraw/zinc/64/51/18/1428645118.db2.gz ROZBUIIBHRKJQY-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001699376364 1412683346 /nfs/dbraw/zinc/68/33/46/1412683346.db2.gz ILSYYFMBCHWUCH-IAGOWNOFSA-N 2 0 341.499 3.337 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001699684691 1413081285 /nfs/dbraw/zinc/08/12/85/1413081285.db2.gz YSYRTDMWCGLBKY-SXLOBPIMSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702063 1413115629 /nfs/dbraw/zinc/11/56/29/1413115629.db2.gz QDLRDDJAUIUDKK-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001699799500 1413210314 /nfs/dbraw/zinc/21/03/14/1413210314.db2.gz OSSPZLYVADPAGB-LJQANCHMSA-N 2 0 331.504 3.035 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001699863752 1413299516 /nfs/dbraw/zinc/29/95/16/1413299516.db2.gz IRVBATKITZPPMN-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699957900 1413400557 /nfs/dbraw/zinc/40/05/57/1413400557.db2.gz VCZAIXZZLLQVOM-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001732547934 1428725358 /nfs/dbraw/zinc/72/53/58/1428725358.db2.gz PJQHVFQCIWHTOM-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCCC2CCC2)CC1 ZINC001699982825 1413429609 /nfs/dbraw/zinc/42/96/09/1413429609.db2.gz MAGHMOJWENDUJD-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1)C1CCC1 ZINC001700101831 1413519682 /nfs/dbraw/zinc/51/96/82/1413519682.db2.gz SYGNPNUJPUXXOC-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CC(C)C)C1 ZINC001700197453 1413638916 /nfs/dbraw/zinc/63/89/16/1413638916.db2.gz KPUXHELCFAXGHX-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001700478492 1414110232 /nfs/dbraw/zinc/11/02/32/1414110232.db2.gz QBRWMYHIGPPUOF-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001700889005 1414548199 /nfs/dbraw/zinc/54/81/99/1414548199.db2.gz SBXCLNOPEGEWHB-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C)[NH+](C)C ZINC001700998962 1414649633 /nfs/dbraw/zinc/64/96/33/1414649633.db2.gz YPVIKPOXZQZWBY-OALUTQOASA-N 2 0 347.547 3.264 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001732597056 1428837180 /nfs/dbraw/zinc/83/71/80/1428837180.db2.gz FOGAELDURJXAGC-IBGZPJMESA-N 2 0 345.531 3.322 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001732703715 1428917027 /nfs/dbraw/zinc/91/70/27/1428917027.db2.gz YVHMBWDBZSFYLS-IAGOWNOFSA-N 2 0 331.504 3.025 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001713086027 1417632206 /nfs/dbraw/zinc/63/22/06/1417632206.db2.gz UKXBPSIVKSWILV-IBGZPJMESA-N 2 0 345.531 3.016 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)[NH+](CC)CC ZINC001713168773 1417742119 /nfs/dbraw/zinc/74/21/19/1417742119.db2.gz VHGZMQKNZMHWEH-UDTPNQRGSA-N 2 0 349.494 3.244 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001713222124 1417806912 /nfs/dbraw/zinc/80/69/12/1417806912.db2.gz XCELZBSPTWVYMO-OALUTQOASA-N 2 0 345.531 3.308 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C)C1CCC1 ZINC001713253071 1417846790 /nfs/dbraw/zinc/84/67/90/1417846790.db2.gz MCGCPPZHWBYFCZ-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]([NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1)c1ccccc1 ZINC001713288738 1417916112 /nfs/dbraw/zinc/91/61/12/1417916112.db2.gz FEWDTOISTOEDCF-IPJUCJBFSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001733067600 1429222074 /nfs/dbraw/zinc/22/20/74/1429222074.db2.gz QULVGTLEINQENU-DLENHJPASA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001733067599 1429222108 /nfs/dbraw/zinc/22/21/08/1429222108.db2.gz QULVGTLEINQENU-ADYPVZHUSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccccc1 ZINC001713454186 1418103841 /nfs/dbraw/zinc/10/38/41/1418103841.db2.gz CYQGFFAYSAONCH-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCC1CCCCCC1 ZINC001713487288 1418182463 /nfs/dbraw/zinc/18/24/63/1418182463.db2.gz NQCKZTVIOKHCJB-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713592374 1418386569 /nfs/dbraw/zinc/38/65/69/1418386569.db2.gz SZCCQZGRPKEFSI-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)c1 ZINC001713735927 1418529560 /nfs/dbraw/zinc/52/95/60/1418529560.db2.gz ZOQJGWTZABHUCU-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001713785248 1418602010 /nfs/dbraw/zinc/60/20/10/1418602010.db2.gz APYXURVIIAROTH-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001713875404 1418671804 /nfs/dbraw/zinc/67/18/04/1418671804.db2.gz GBDJEBGOEWUVMJ-IBGZPJMESA-N 2 0 349.563 3.029 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccc(F)cc1 ZINC001713959952 1418741183 /nfs/dbraw/zinc/74/11/83/1418741183.db2.gz ZQQGQDUVNLQWGF-ZTFGCOKTSA-N 2 0 349.494 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001714048443 1418845874 /nfs/dbraw/zinc/84/58/74/1418845874.db2.gz BNJANSORAJARAT-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC001714115003 1418916929 /nfs/dbraw/zinc/91/69/29/1418916929.db2.gz LQHODBZGWITPGX-YLJYHZDGSA-N 2 0 345.531 3.352 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001714313687 1419094546 /nfs/dbraw/zinc/09/45/46/1419094546.db2.gz OLRRXSYRQKJFRH-MXVIHJGJSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001714318451 1419097386 /nfs/dbraw/zinc/09/73/86/1419097386.db2.gz ZDGSCEXZOZZZAN-XLIONFOSSA-N 2 0 345.531 3.169 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001714495203 1419219009 /nfs/dbraw/zinc/21/90/09/1419219009.db2.gz FTGWPXPMEIYBQL-ACBHZAAOSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3CC(C)C3)CCCC2)C1 ZINC001714501684 1419227657 /nfs/dbraw/zinc/22/76/57/1419227657.db2.gz OIMLVKMLURYGJD-ACBHZAAOSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC3(C[NH+](CCCC(C)(C)C)C3)CC2)CC1 ZINC001714522542 1419248588 /nfs/dbraw/zinc/24/85/88/1419248588.db2.gz AHVBKNKEIUXQPK-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001714812707 1419523813 /nfs/dbraw/zinc/52/38/13/1419523813.db2.gz DMPYHQQLPXDDLC-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001714863708 1419588845 /nfs/dbraw/zinc/58/88/45/1419588845.db2.gz VEYHRZRVRFLLPW-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715020856 1419751933 /nfs/dbraw/zinc/75/19/33/1419751933.db2.gz MNNLDULRFAPBNO-MJGOQNOKSA-N 2 0 343.515 3.073 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001715023848 1419755212 /nfs/dbraw/zinc/75/52/12/1419755212.db2.gz GUQCZHMBBSQEFU-MOPGFXCFSA-N 2 0 349.494 3.151 20 0 EGADRP CCc1ccc(C[N@H+]2CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001715043611 1419782852 /nfs/dbraw/zinc/78/28/52/1419782852.db2.gz FONAGTFOUUINLC-UXHICEINSA-N 2 0 345.531 3.012 20 0 EGADRP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001715337740 1420041740 /nfs/dbraw/zinc/04/17/40/1420041740.db2.gz DJKXKQLLLRENNI-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001733245099 1429390623 /nfs/dbraw/zinc/39/06/23/1429390623.db2.gz GXNXIZPHDQVRBS-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1CCCCC1 ZINC001715403606 1420102586 /nfs/dbraw/zinc/10/25/86/1420102586.db2.gz FOBCJMVOSXGNHB-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001715962942 1420429150 /nfs/dbraw/zinc/42/91/50/1420429150.db2.gz QYFSLIPDOJLDQW-MOPGFXCFSA-N 2 0 345.531 3.416 20 0 EGADRP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)CCC[NH+]1CCCC1 ZINC001716016040 1420469661 /nfs/dbraw/zinc/46/96/61/1420469661.db2.gz XUWNQNMWUWYYKM-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001716219939 1420570578 /nfs/dbraw/zinc/57/05/78/1420570578.db2.gz HQZNKLNZXGPVHN-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCC2CCC2)CC1 ZINC001716501866 1420729242 /nfs/dbraw/zinc/72/92/42/1420729242.db2.gz JBDQVAUGEHODPQ-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001733275170 1429437721 /nfs/dbraw/zinc/43/77/21/1429437721.db2.gz ZCLPQHAMPWAFQQ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001716672292 1420829020 /nfs/dbraw/zinc/82/90/20/1420829020.db2.gz ZIFAWVNCWIRVPC-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001717197394 1421163984 /nfs/dbraw/zinc/16/39/84/1421163984.db2.gz YCWRGVPJAGMSDW-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](C(=O)N(C)CCC[N@H+](C)CC1CC(C)C1)[NH+]1CCCCCC1 ZINC001717212760 1421187524 /nfs/dbraw/zinc/18/75/24/1421187524.db2.gz MJHSKWIANWYRPP-JLAWEPINSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC001717333639 1421269638 /nfs/dbraw/zinc/26/96/38/1421269638.db2.gz KDBIVZJULCTXIZ-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001717485313 1421421140 /nfs/dbraw/zinc/42/11/40/1421421140.db2.gz JVRCIPDDRDZSGZ-DLBZAZTESA-N 2 0 345.531 3.015 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001717758231 1421621079 /nfs/dbraw/zinc/62/10/79/1421621079.db2.gz VYUAIBKWRDDJPD-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2CC)[C@H]1C ZINC001717860196 1421672734 /nfs/dbraw/zinc/67/27/34/1421672734.db2.gz IERBHYXZMHHZMS-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1C)C(C)(C)C ZINC001717970138 1421742048 /nfs/dbraw/zinc/74/20/48/1421742048.db2.gz KCOVXIYKZKAZDP-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001733333634 1429519025 /nfs/dbraw/zinc/51/90/25/1429519025.db2.gz NCHHHKAWRNMQFM-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001733336231 1429521192 /nfs/dbraw/zinc/52/11/92/1429521192.db2.gz RRFANMORXBIKAJ-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP CC1(NC(=O)CC[NH+]2CCCCC2)CC[NH+](CCCC2CCC2)CC1 ZINC001733362209 1429547618 /nfs/dbraw/zinc/54/76/18/1429547618.db2.gz RLIQZJZUTGJQBC-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001733378574 1429561984 /nfs/dbraw/zinc/56/19/84/1429561984.db2.gz AYFUKYADIVJHTH-UXHICEINSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCC2)CCCCC1 ZINC001733381517 1429566337 /nfs/dbraw/zinc/56/63/37/1429566337.db2.gz JBWAIGDCJVZILN-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@](C)(C[NH2+]CC3CCC3)C2)CCCCC1 ZINC001733432842 1429640310 /nfs/dbraw/zinc/64/03/10/1429640310.db2.gz KFUBUEKTRBNTQB-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CC2)CCCCC1 ZINC001722941861 1424268505 /nfs/dbraw/zinc/26/85/05/1424268505.db2.gz BPDSKDKZPSPQTE-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724321901 1424807150 /nfs/dbraw/zinc/80/71/50/1424807150.db2.gz MUGFDCPSXNJBPV-FQEVSTJZSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001724329032 1424817429 /nfs/dbraw/zinc/81/74/29/1424817429.db2.gz CJZLYKCBKNUJSU-NQIIRXRSSA-N 2 0 345.531 3.308 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724864398 1425247145 /nfs/dbraw/zinc/24/71/45/1425247145.db2.gz SXMRGFDWVRTRQY-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001725582120 1426237559 /nfs/dbraw/zinc/23/75/59/1426237559.db2.gz CLODJJJHBYOCSS-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001731350537 1427288847 /nfs/dbraw/zinc/28/88/47/1427288847.db2.gz IGLXYNASXGCXOV-INIZCTEOSA-N 2 0 346.519 3.091 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2C)C1 ZINC001731721738 1427792470 /nfs/dbraw/zinc/79/24/70/1427792470.db2.gz YTTJEPZHIABQFP-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001731729193 1427804232 /nfs/dbraw/zinc/80/42/32/1427804232.db2.gz MUFZFUCNKAJNLY-MRXNPFEDSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001731876087 1428139676 /nfs/dbraw/zinc/13/96/76/1428139676.db2.gz ZGHYRHJWMZHNHA-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001733722085 1429944108 /nfs/dbraw/zinc/94/41/08/1429944108.db2.gz OFMGHHCCVRUQKG-IBGZPJMESA-N 2 0 347.547 3.212 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001733857371 1437689361 /nfs/dbraw/zinc/68/93/61/1437689361.db2.gz JJQDGURXSGVDNP-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCCCCC1 ZINC001733897144 1437714323 /nfs/dbraw/zinc/71/43/23/1437714323.db2.gz CFCDHFXIDYRKDG-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001733918466 1437731455 /nfs/dbraw/zinc/73/14/55/1437731455.db2.gz PALVEKKAKNCCJP-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CCCC(C)(C)C ZINC001752040572 1440134796 /nfs/dbraw/zinc/13/47/96/1440134796.db2.gz XKMHSCQEUXVAJL-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCCC1 ZINC001752157423 1440147527 /nfs/dbraw/zinc/14/75/27/1440147527.db2.gz QBFNWTIHDLKLPD-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001752232160 1440158671 /nfs/dbraw/zinc/15/86/71/1440158671.db2.gz WCKSYRLONOFZRX-RTBURBONSA-N 2 0 345.531 3.144 20 0 EGADRP O=C(NCCC[N@H+](CC1=CCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001752266887 1440162844 /nfs/dbraw/zinc/16/28/44/1440162844.db2.gz PXOMHSADFISORR-UHFFFAOYSA-N 2 0 345.531 3.086 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001752394502 1440173576 /nfs/dbraw/zinc/17/35/76/1440173576.db2.gz ZMVNGLNOLDBEOZ-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001752432595 1440178842 /nfs/dbraw/zinc/17/88/42/1440178842.db2.gz VPYKARVFVJXJLI-WYNBNGFRSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001752479288 1440185152 /nfs/dbraw/zinc/18/51/52/1440185152.db2.gz DNWDRGPNGHQLAY-FFZOFVMBSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001752500699 1440188340 /nfs/dbraw/zinc/18/83/40/1440188340.db2.gz XYDABTSWYLVPFI-PMACEKPBSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752517978 1440191831 /nfs/dbraw/zinc/19/18/31/1440191831.db2.gz KYMMTYOZRYZKRZ-OTWHNJEPSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001752679626 1440199337 /nfs/dbraw/zinc/19/93/37/1440199337.db2.gz APILNSUMABQIQR-FHWLQOOXSA-N 2 0 345.531 3.333 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001752733193 1440204256 /nfs/dbraw/zinc/20/42/56/1440204256.db2.gz MRHCXWJUEVLXJY-ZIFCJYIRSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@H+](CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CCC1)C1CCCCC1 ZINC001752827696 1440224309 /nfs/dbraw/zinc/22/43/09/1440224309.db2.gz NUDQSKHDIUTIKR-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001752833533 1440226618 /nfs/dbraw/zinc/22/66/18/1440226618.db2.gz HDXIQRGSTDYLSV-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752836916 1440228336 /nfs/dbraw/zinc/22/83/36/1440228336.db2.gz PYXOMBOHDCLGLK-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752842011 1440231250 /nfs/dbraw/zinc/23/12/50/1440231250.db2.gz UGXLLOCVWOMJGX-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001752854991 1440234575 /nfs/dbraw/zinc/23/45/75/1440234575.db2.gz DCGHRWUQVZJIJV-UHFFFAOYSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001752993112 1440260428 /nfs/dbraw/zinc/26/04/28/1440260428.db2.gz ARIIBEDFYXEFRC-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996596 1440262305 /nfs/dbraw/zinc/26/23/05/1440262305.db2.gz GWEZHDPGOVLUSA-QUCCMNQESA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996465 1440262322 /nfs/dbraw/zinc/26/23/22/1440262322.db2.gz DFFBCKPGONAALU-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001752998859 1440263566 /nfs/dbraw/zinc/26/35/66/1440263566.db2.gz OAMULJFIKKZESL-RTBURBONSA-N 2 0 335.536 3.138 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001753020311 1440269787 /nfs/dbraw/zinc/26/97/87/1440269787.db2.gz JLJXBYSFECYKLC-UYAOXDASSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001753112505 1440309357 /nfs/dbraw/zinc/30/93/57/1440309357.db2.gz FBWHQNZRASCFRD-SJLPKXTDSA-N 2 0 349.544 3.093 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1cccc(F)c1 ZINC001753116794 1440311928 /nfs/dbraw/zinc/31/19/28/1440311928.db2.gz OUJGMCKBWYBYCF-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cccc(F)c1 ZINC001753143417 1440322934 /nfs/dbraw/zinc/32/29/34/1440322934.db2.gz RKNHCYBWOCRGBW-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001753146945 1440325054 /nfs/dbraw/zinc/32/50/54/1440325054.db2.gz NGKGEMFXVXWQPN-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1C ZINC001753147360 1440325391 /nfs/dbraw/zinc/32/53/91/1440325391.db2.gz ANFIXLQAKMYRQQ-MJGOQNOKSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC1CC2(CCC2)C1 ZINC001753149657 1440326902 /nfs/dbraw/zinc/32/69/02/1440326902.db2.gz KDJPSEKSNJVRHY-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001753155132 1440330292 /nfs/dbraw/zinc/33/02/92/1440330292.db2.gz BOAPQPKICOIRPH-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001753189777 1440337510 /nfs/dbraw/zinc/33/75/10/1440337510.db2.gz QZOQMJMNMWDBAZ-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753223078 1440340238 /nfs/dbraw/zinc/34/02/38/1440340238.db2.gz XAJIHRSZWCXVGZ-SFHVURJKSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCC1 ZINC001753293039 1440351030 /nfs/dbraw/zinc/35/10/30/1440351030.db2.gz VNDBGQASMKFKJQ-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001753294500 1440351619 /nfs/dbraw/zinc/35/16/19/1440351619.db2.gz OARQMIZYECLNOM-PMACEKPBSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001753299080 1440353408 /nfs/dbraw/zinc/35/34/08/1440353408.db2.gz SCFWARKWNAIEDE-UXHICEINSA-N 2 0 343.515 3.249 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753319418 1440362057 /nfs/dbraw/zinc/36/20/57/1440362057.db2.gz DSHJKZWHWJXRAU-IBGZPJMESA-N 2 0 335.536 3.142 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001753326192 1440366889 /nfs/dbraw/zinc/36/68/89/1440366889.db2.gz GIHOTXMTNNXNJE-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001753331595 1440369781 /nfs/dbraw/zinc/36/97/81/1440369781.db2.gz WYTKDHBZRJMLCY-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001753334209 1440371391 /nfs/dbraw/zinc/37/13/91/1440371391.db2.gz DKXQSYHLSYERAN-GOSISDBHSA-N 2 0 345.531 3.090 20 0 EGADRP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001753350959 1440377955 /nfs/dbraw/zinc/37/79/55/1440377955.db2.gz BMAAKWNYEKTBHV-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753358804 1440381637 /nfs/dbraw/zinc/38/16/37/1440381637.db2.gz BOWGZZNQRNIUKN-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001753511818 1440426305 /nfs/dbraw/zinc/42/63/05/1440426305.db2.gz NNNISIZTBBWDJC-UHFFFAOYSA-N 2 0 343.515 3.081 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001753586492 1440441427 /nfs/dbraw/zinc/44/14/27/1440441427.db2.gz QODXYUXNXWPADZ-SZMVWBNQSA-N 2 0 346.519 3.186 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001753586824 1440441504 /nfs/dbraw/zinc/44/15/04/1440441504.db2.gz CXRQRUOLFOSQFD-OISZBXDOSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)=CC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001753594857 1440444140 /nfs/dbraw/zinc/44/41/40/1440444140.db2.gz MDRJKXHXPGNXGC-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CCC(CCNC(=O)CC[NH+](C)C)CC2)c1 ZINC001753596847 1440445067 /nfs/dbraw/zinc/44/50/67/1440445067.db2.gz IUUFZIKHIDXZMR-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001753632112 1440452326 /nfs/dbraw/zinc/45/23/26/1440452326.db2.gz HLUPBVGGNZTAII-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001753671556 1440462287 /nfs/dbraw/zinc/46/22/87/1440462287.db2.gz SPBGFRGSPZBOEV-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001753676632 1440463471 /nfs/dbraw/zinc/46/34/71/1440463471.db2.gz ANOZDPHIXFZWNI-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1 ZINC001753677912 1440463817 /nfs/dbraw/zinc/46/38/17/1440463817.db2.gz YDUXRRIKYSXGMG-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001753729680 1440475398 /nfs/dbraw/zinc/47/53/98/1440475398.db2.gz PGLSBVPJPDNHMH-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001753734203 1440477170 /nfs/dbraw/zinc/47/71/70/1440477170.db2.gz WKQMDOYWIXHXNU-UXHICEINSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@H](F)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001753737189 1440478051 /nfs/dbraw/zinc/47/80/51/1440478051.db2.gz VGEAVZYHDGRDTI-HOTGVXAUSA-N 2 0 348.466 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C2CCCCC2)CC[N@@H+]1C ZINC001753746187 1440481038 /nfs/dbraw/zinc/48/10/38/1440481038.db2.gz PSMOLYZKFIYBLP-XUVXKRRUSA-N 2 0 349.563 3.172 20 0 EGADRP CC1CC(C[NH2+]CC[C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001753789447 1440488848 /nfs/dbraw/zinc/48/88/48/1440488848.db2.gz ZMJGJFYMZHIMOW-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCCC2CCC2)CC1 ZINC001753794921 1440489576 /nfs/dbraw/zinc/48/95/76/1440489576.db2.gz DMMDPOALJUKAQI-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001753799135 1440490517 /nfs/dbraw/zinc/49/05/17/1440490517.db2.gz ZRUXWGURXWMAOD-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001753801204 1440490885 /nfs/dbraw/zinc/49/08/85/1440490885.db2.gz KRTRLDCOBAFJAB-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001753806857 1440491874 /nfs/dbraw/zinc/49/18/74/1440491874.db2.gz FTCJPQYKCGFALE-KXBFYZLASA-N 2 0 342.487 3.273 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001753812538 1440493157 /nfs/dbraw/zinc/49/31/57/1440493157.db2.gz QOLSSUIGTAXHCG-ASIGSXEYSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001753823653 1440497324 /nfs/dbraw/zinc/49/73/24/1440497324.db2.gz MOKNTWGDGQHBKO-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001753829991 1440499519 /nfs/dbraw/zinc/49/95/19/1440499519.db2.gz ROVLOECTZYPBAV-OALUTQOASA-N 2 0 335.536 3.090 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)c1 ZINC001753831454 1440499747 /nfs/dbraw/zinc/49/97/47/1440499747.db2.gz UTASQPSYIJTHBO-IBGZPJMESA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001753845437 1440504342 /nfs/dbraw/zinc/50/43/42/1440504342.db2.gz JQNCDXIKITYAMI-AZUAARDMSA-N 2 0 345.531 3.354 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001753877383 1440519687 /nfs/dbraw/zinc/51/96/87/1440519687.db2.gz GEMAQHJWPMDWAU-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001753887949 1440521592 /nfs/dbraw/zinc/52/15/92/1440521592.db2.gz LJWKRYMXWUOVNL-DOTOQJQBSA-N 2 0 349.544 3.264 20 0 EGADRP CCc1ccccc1C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001754084897 1440540090 /nfs/dbraw/zinc/54/00/90/1440540090.db2.gz PFTBEBGODAYDDU-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@H](C(=O)NC/C=C/C[NH2+]CCC1CCCC1)[NH+]1CCCCCC1 ZINC001754177862 1440547806 /nfs/dbraw/zinc/54/78/06/1440547806.db2.gz DSLLURCWTFWOLC-IPLHWJFFSA-N 2 0 335.536 3.093 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754243341 1440556277 /nfs/dbraw/zinc/55/62/77/1440556277.db2.gz IZVBOJRRHWOGKE-MSOLQXFVSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001754296088 1440566384 /nfs/dbraw/zinc/56/63/84/1440566384.db2.gz DDSBLPMDCOIZCV-AZUAARDMSA-N 2 0 349.563 3.482 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001754347862 1440590237 /nfs/dbraw/zinc/59/02/37/1440590237.db2.gz BOYSAECLVSDDKH-WOJBJXKFSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001754354527 1440591390 /nfs/dbraw/zinc/59/13/90/1440591390.db2.gz SWQIZFPQBIQJGM-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754371418 1440592639 /nfs/dbraw/zinc/59/26/39/1440592639.db2.gz JLQHDTMPQCZQBB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001754376170 1440593008 /nfs/dbraw/zinc/59/30/08/1440593008.db2.gz AWDDPZBBLPFYEJ-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001754400435 1440595147 /nfs/dbraw/zinc/59/51/47/1440595147.db2.gz AAYWBZDUPFDQPE-MOPGFXCFSA-N 2 0 345.531 3.450 20 0 EGADRP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754402305 1440595446 /nfs/dbraw/zinc/59/54/46/1440595446.db2.gz CVOJFUMXYYHTBJ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]([NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC001754405174 1440595642 /nfs/dbraw/zinc/59/56/42/1440595642.db2.gz GIXWRKNKGVKZGF-KRWDZBQOSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001754416026 1440596797 /nfs/dbraw/zinc/59/67/97/1440596797.db2.gz IIODSORCPLYHHB-HNNXBMFYSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001754515902 1440618610 /nfs/dbraw/zinc/61/86/10/1440618610.db2.gz GIPJRALBTJTBKO-QZTJIDSGSA-N 2 0 343.515 3.169 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754537896 1440625185 /nfs/dbraw/zinc/62/51/85/1440625185.db2.gz FYOFDGFCKKIGAC-ROUKRRSUSA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001754560993 1440633709 /nfs/dbraw/zinc/63/37/09/1440633709.db2.gz FOUNEKBXPNDMJU-UHFFFAOYSA-N 2 0 347.547 3.143 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C[C@H]1C ZINC001754600924 1440642468 /nfs/dbraw/zinc/64/24/68/1440642468.db2.gz JGDAQQAFBYIGDV-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001754601304 1440642594 /nfs/dbraw/zinc/64/25/94/1440642594.db2.gz NVAQTDNHELKNJV-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001754604151 1440642928 /nfs/dbraw/zinc/64/29/28/1440642928.db2.gz SKDFPUQDLYHUIQ-NYQZOWANSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001754626414 1440646445 /nfs/dbraw/zinc/64/64/45/1440646445.db2.gz BMVAKMSQMMXADV-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001754653961 1440652873 /nfs/dbraw/zinc/65/28/73/1440652873.db2.gz JQHVXEHAJBNVAC-MJGOQNOKSA-N 2 0 349.563 3.029 20 0 EGADRP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001754684368 1440664118 /nfs/dbraw/zinc/66/41/18/1440664118.db2.gz YQWSXDRMUOMINM-HXUWFJFHSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001754713261 1440670685 /nfs/dbraw/zinc/67/06/85/1440670685.db2.gz RWWTZNNNHOSQPP-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CCc1ccccc1[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001754786053 1440687819 /nfs/dbraw/zinc/68/78/19/1440687819.db2.gz UDEUICXMHURATL-UXHICEINSA-N 2 0 343.515 3.056 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001754822817 1440693303 /nfs/dbraw/zinc/69/33/03/1440693303.db2.gz QDOYNVBBBZKXBG-AEFFLSMTSA-N 2 0 339.568 3.085 20 0 EGADRP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001754833261 1440696233 /nfs/dbraw/zinc/69/62/33/1440696233.db2.gz QUWZWXWBVJNQIH-YRPNKDGESA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001754982613 1440721773 /nfs/dbraw/zinc/72/17/73/1440721773.db2.gz XOGPVAJTVMDRNZ-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCC1 ZINC001754993243 1440725170 /nfs/dbraw/zinc/72/51/70/1440725170.db2.gz IBQPRSNWQNFBBK-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001755027527 1440729509 /nfs/dbraw/zinc/72/95/09/1440729509.db2.gz BHNFHNPYHOVQKN-OALUTQOASA-N 2 0 345.531 3.287 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC2CC(C)C2)CC1 ZINC001755068672 1440745833 /nfs/dbraw/zinc/74/58/33/1440745833.db2.gz BXDMOIQQMKWYPC-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001755069049 1440745991 /nfs/dbraw/zinc/74/59/91/1440745991.db2.gz KYBYBJFFVIULRK-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001755071800 1440746864 /nfs/dbraw/zinc/74/68/64/1440746864.db2.gz GZXSCODNNXNUII-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001755118875 1440755381 /nfs/dbraw/zinc/75/53/81/1440755381.db2.gz TWEIWWBRQQKEJD-LPHOPBHVSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001755129167 1440756890 /nfs/dbraw/zinc/75/68/90/1440756890.db2.gz GOVAIJJVTJVPAA-IBGZPJMESA-N 2 0 347.547 3.330 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H](C)C1 ZINC001755166730 1440767703 /nfs/dbraw/zinc/76/77/03/1440767703.db2.gz FPXJIYWDGLGTTQ-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001755175797 1440770669 /nfs/dbraw/zinc/77/06/69/1440770669.db2.gz HWWHYXWCPWHQBO-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755194309 1440776017 /nfs/dbraw/zinc/77/60/17/1440776017.db2.gz RWKHUOUTOOKLCV-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001755204388 1440781727 /nfs/dbraw/zinc/78/17/27/1440781727.db2.gz JQHLBNSVPCQTGQ-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC1 ZINC001755286261 1440802124 /nfs/dbraw/zinc/80/21/24/1440802124.db2.gz SJEFSDRMHAFCJS-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CCC2=CCCCC2)CCCCC1 ZINC001755354846 1440828941 /nfs/dbraw/zinc/82/89/41/1440828941.db2.gz RVGMZOHZIUNXDR-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC2CCCCCC2)C1 ZINC001755389843 1440841839 /nfs/dbraw/zinc/84/18/39/1440841839.db2.gz FXJWZDQSTXHYPK-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001755407508 1440844872 /nfs/dbraw/zinc/84/48/72/1440844872.db2.gz MLICAIAMDJBFMA-KSZLIROESA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCCC1CCCC1)C2 ZINC001755457878 1440856529 /nfs/dbraw/zinc/85/65/29/1440856529.db2.gz VXERKLLSLLCHLB-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001755518005 1440864553 /nfs/dbraw/zinc/86/45/53/1440864553.db2.gz ZQVXOLGEYUJDAN-MJGOQNOKSA-N 2 0 345.531 3.020 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001755536757 1440869904 /nfs/dbraw/zinc/86/99/04/1440869904.db2.gz HACFLDKBVBIJSO-UHFFFAOYSA-N 2 0 349.519 3.458 20 0 EGADRP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001755588422 1440880805 /nfs/dbraw/zinc/88/08/05/1440880805.db2.gz YWEZORNBOBWZSE-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001755619237 1440889981 /nfs/dbraw/zinc/88/99/81/1440889981.db2.gz UUSQCQLOQWPOBY-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001755691140 1440896721 /nfs/dbraw/zinc/89/67/21/1440896721.db2.gz SSTZQBGHTUULFN-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001755701547 1440900493 /nfs/dbraw/zinc/90/04/93/1440900493.db2.gz QBHPZJGVRRJSFD-CUWPLCDZSA-N 2 0 343.515 3.121 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001755703517 1440901440 /nfs/dbraw/zinc/90/14/40/1440901440.db2.gz YKERFBGOFPKUCG-QUCCMNQESA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001755724726 1440909050 /nfs/dbraw/zinc/90/90/50/1440909050.db2.gz XHIKCFIQKMCXEF-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001755766677 1440916328 /nfs/dbraw/zinc/91/63/28/1440916328.db2.gz OXMIETBKZJQSBZ-MOPGFXCFSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001755835509 1440930110 /nfs/dbraw/zinc/93/01/10/1440930110.db2.gz WKSPQZIYAAIEEK-GOSISDBHSA-N 2 0 339.568 3.273 20 0 EGADRP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001755839889 1440931274 /nfs/dbraw/zinc/93/12/74/1440931274.db2.gz NHBMCGFQWGVONE-MSOLQXFVSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1ccc(-c2nnc([C@H](C)N3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1C ZINC000368354234 168346249 /nfs/dbraw/zinc/34/62/49/168346249.db2.gz HKRYEHQLIUCPAR-JXFKEZNVSA-N 2 0 340.471 3.442 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000368440909 168356184 /nfs/dbraw/zinc/35/61/84/168356184.db2.gz IXERUTWLOTYSCN-SJJHQCBESA-N 2 0 337.508 3.039 20 0 EGADRP Cn1ccnc1[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531161 168369375 /nfs/dbraw/zinc/36/93/75/168369375.db2.gz TYYMLWXISNIQDK-TZIWHRDSSA-N 2 0 338.499 3.373 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054241511 214226456 /nfs/dbraw/zinc/22/64/56/214226456.db2.gz NJGHMKRIPHLHNC-CYBMUJFWSA-N 2 0 325.294 3.312 20 0 EGADRP COc1cccc(CCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173956656 231080107 /nfs/dbraw/zinc/08/01/07/231080107.db2.gz OWAUUNXAFIUZRA-UHFFFAOYSA-N 2 0 346.515 3.205 20 0 EGADRP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724613 231291568 /nfs/dbraw/zinc/29/15/68/231291568.db2.gz DKUZSGQADPZXRX-AWEZNQCLSA-N 2 0 327.875 3.109 20 0 EGADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000132930459 529681666 /nfs/dbraw/zinc/68/16/66/529681666.db2.gz FWRYOQFAUMLGRQ-OXQOHEQNSA-N 2 0 332.488 3.237 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346851408 282240465 /nfs/dbraw/zinc/24/04/65/282240465.db2.gz JQMIWLBIIBLKRO-JVPBZIDWSA-N 2 0 344.890 3.393 20 0 EGADRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000370167596 168472375 /nfs/dbraw/zinc/47/23/75/168472375.db2.gz ROKBGAFHUQLBNU-GOSISDBHSA-N 2 0 344.503 3.280 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000178186915 232102933 /nfs/dbraw/zinc/10/29/33/232102933.db2.gz OIXCSOZAKXJPJI-INIZCTEOSA-N 2 0 340.467 3.413 20 0 EGADRP Cc1ccc(CCC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000181648500 234267293 /nfs/dbraw/zinc/26/72/93/234267293.db2.gz XKCRUGWWXNHRDR-SFTDATJTSA-N 2 0 343.559 3.418 20 0 EGADRP [NH3+]CC1(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCCC1 ZINC000184220664 235336971 /nfs/dbraw/zinc/33/69/71/235336971.db2.gz ZNUUIDPZKJLGGZ-MRXNPFEDSA-N 2 0 349.544 3.301 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000337470824 283208844 /nfs/dbraw/zinc/20/88/44/283208844.db2.gz VGQQUBQLWNSQSD-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP C[C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+]1CCCCCC1 ZINC000193406986 240153528 /nfs/dbraw/zinc/15/35/28/240153528.db2.gz QOSGTDBFNDKURH-JXFKEZNVSA-N 2 0 339.483 3.220 20 0 EGADRP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000266026785 248042269 /nfs/dbraw/zinc/04/22/69/248042269.db2.gz YOEHAFHVRZMLBV-SFHVURJKSA-N 2 0 345.531 3.006 20 0 EGADRP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(C)(C)C[NH3+] ZINC000093873836 218254066 /nfs/dbraw/zinc/25/40/66/218254066.db2.gz MHCDHSJABZRLJT-UHFFFAOYSA-N 2 0 332.275 3.239 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCCCC1 ZINC000237342465 296314119 /nfs/dbraw/zinc/31/41/19/296314119.db2.gz UAWFOMFNZOJPJF-QGZVFWFLSA-N 2 0 343.515 3.339 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000268764270 252213980 /nfs/dbraw/zinc/21/39/80/252213980.db2.gz IRTLXFISOZAAKM-SFTDATJTSA-N 2 0 345.506 3.049 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000268852117 252299966 /nfs/dbraw/zinc/29/99/66/252299966.db2.gz HJJZAEKJNFSOMD-RXVVDRJESA-N 2 0 329.532 3.361 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000268872542 252321377 /nfs/dbraw/zinc/32/13/77/252321377.db2.gz GLRADIVYUHHAPK-UVBJJODRSA-N 2 0 331.287 3.347 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000153802547 224160017 /nfs/dbraw/zinc/16/00/17/224160017.db2.gz KIIURYMUAOWFLQ-KRWDZBQOSA-N 2 0 327.472 3.368 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cccc(C[NH+]2CCCC2)c1 ZINC000269209580 255545568 /nfs/dbraw/zinc/54/55/68/255545568.db2.gz NBEHOQDTBGNCCA-UHFFFAOYSA-N 2 0 335.451 3.180 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000246554507 285313360 /nfs/dbraw/zinc/31/33/60/285313360.db2.gz WTJQWHGVOVNWJR-NJDAHSKKSA-N 2 0 328.500 3.422 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000121122423 285322799 /nfs/dbraw/zinc/32/27/99/285322799.db2.gz WYOHIUKYKHKZTR-RTBURBONSA-N 2 0 331.548 3.216 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000195026863 285338616 /nfs/dbraw/zinc/33/86/16/285338616.db2.gz XBAVPDUGBBIPSY-TXPKVOOTSA-N 2 0 349.494 3.043 20 0 EGADRP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371336011 533411797 /nfs/dbraw/zinc/41/17/97/533411797.db2.gz NDVKAFHRJMYFPF-JENJNIGESA-N 2 0 327.516 3.190 20 0 EGADRP COc1cccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000158586746 533662996 /nfs/dbraw/zinc/66/29/96/533662996.db2.gz RFDICSRJIVOUIS-UZLBHIALSA-N 2 0 330.472 3.023 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000236907092 141000789 /nfs/dbraw/zinc/00/07/89/141000789.db2.gz JDRBFKQJHJCDBK-ROUUACIJSA-N 2 0 345.531 3.170 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237472947 141003448 /nfs/dbraw/zinc/00/34/48/141003448.db2.gz FYAKNWGOQIXSMD-DYESRHJHSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCCC3)cc2)C1 ZINC000237470039 141003800 /nfs/dbraw/zinc/00/38/00/141003800.db2.gz RMDXPMSJWGLNIE-IAGOWNOFSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(-c2nccn2C)c1)[C@H]1CCC[NH2+]C1 ZINC000237585491 141009405 /nfs/dbraw/zinc/00/94/05/141009405.db2.gz PSRIMLPDZJNIST-ZBFHGGJFSA-N 2 0 326.444 3.051 20 0 EGADRP Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)sc1C ZINC000246870202 141040815 /nfs/dbraw/zinc/04/08/15/141040815.db2.gz CYIAEWHGUYITDR-KDOFPFPSSA-N 2 0 344.528 3.198 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246895966 141042348 /nfs/dbraw/zinc/04/23/48/141042348.db2.gz FAPXZPGYVLJTOU-VLFNSIGCSA-N 2 0 329.532 3.358 20 0 EGADRP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338045913 141080637 /nfs/dbraw/zinc/08/06/37/141080637.db2.gz SNDBCQAIDBKPIP-ADHGMGHFSA-N 2 0 337.552 3.120 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338070041 141087388 /nfs/dbraw/zinc/08/73/88/141087388.db2.gz UUAXQLUFFITXIW-ZACQAIPSSA-N 2 0 335.536 3.019 20 0 EGADRP CCCCOc1ccccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000344463164 141157681 /nfs/dbraw/zinc/15/76/81/141157681.db2.gz MWHSNGGFBZQWDT-UHFFFAOYSA-N 2 0 334.504 3.408 20 0 EGADRP CC[NH+]1C[C@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000344475042 141160910 /nfs/dbraw/zinc/16/09/10/141160910.db2.gz XXRYAWWGISTUDQ-ROUUACIJSA-N 2 0 343.515 3.227 20 0 EGADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000171840719 144011955 /nfs/dbraw/zinc/01/19/55/144011955.db2.gz HCXXZSLEQWWRRP-QZTJIDSGSA-N 2 0 345.531 3.455 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000185706374 144117486 /nfs/dbraw/zinc/11/74/86/144117486.db2.gz RDBWKEKTUVLPMC-MRXNPFEDSA-N 2 0 332.492 3.134 20 0 EGADRP Cc1cc2cc(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)oc2cc1C ZINC000344668287 144208340 /nfs/dbraw/zinc/20/83/40/144208340.db2.gz JQIBNOUJQBJBNN-UHFFFAOYSA-N 2 0 330.472 3.375 20 0 EGADRP CN(C[C@H](O)C[N@H+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513899 144272789 /nfs/dbraw/zinc/27/27/89/144272789.db2.gz NHATVUIROGODCC-IBGZPJMESA-N 2 0 336.907 3.050 20 0 EGADRP CCCCN1CCCC[C@H]1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341341781 155242664 /nfs/dbraw/zinc/24/26/64/155242664.db2.gz FQJPIIIGTNACGC-NRFANRHFSA-N 2 0 344.547 3.290 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000262184849 286222015 /nfs/dbraw/zinc/22/20/15/286222015.db2.gz JBKATGWWXYDWJN-YESZJQIVSA-N 2 0 348.487 3.113 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C3CCOCC3)CC2)cc1 ZINC000120691720 152293826 /nfs/dbraw/zinc/29/38/26/152293826.db2.gz DMUWIHIBTGZCNI-QGZVFWFLSA-N 2 0 346.515 3.312 20 0 EGADRP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000120815152 152302630 /nfs/dbraw/zinc/30/26/30/152302630.db2.gz FFZVZPNGAXZFLM-HXUWFJFHSA-N 2 0 343.515 3.032 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121050708 152320688 /nfs/dbraw/zinc/32/06/88/152320688.db2.gz DGGHFEFEMKAQQS-RXVVDRJESA-N 2 0 329.532 3.348 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000341566755 155360285 /nfs/dbraw/zinc/36/02/85/155360285.db2.gz PJCQHWXPLAZBIR-KXBFYZLASA-N 2 0 336.439 3.064 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](CNCc2ccc(N(C)C(C)C)nc2)C1 ZINC000191452628 153197713 /nfs/dbraw/zinc/19/77/13/153197713.db2.gz BYKQQXGIGKPXQD-IBGZPJMESA-N 2 0 332.536 3.384 20 0 EGADRP Cc1ccn2c(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cnc2c1 ZINC000192929147 153268453 /nfs/dbraw/zinc/26/84/53/153268453.db2.gz GRIVGSZJXOPCII-LJQANCHMSA-N 2 0 334.467 3.254 20 0 EGADRP c1nn2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000311798656 154148710 /nfs/dbraw/zinc/14/87/10/154148710.db2.gz KDCRMETWAXFZRJ-SESVDKBCSA-N 2 0 346.478 3.335 20 0 EGADRP CCOc1c(Cl)cccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000339408052 154837393 /nfs/dbraw/zinc/83/73/93/154837393.db2.gz PNCLDEOCEKHTBV-UHFFFAOYSA-N 2 0 326.868 3.069 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@@H]21 ZINC000346851323 156165324 /nfs/dbraw/zinc/16/53/24/156165324.db2.gz VZVSKTKQJMWPLF-LSTHTHJFSA-N 2 0 337.467 3.220 20 0 EGADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000368691923 157264675 /nfs/dbraw/zinc/26/46/75/157264675.db2.gz KXWWRZBOVSDIES-OAQYLSRUSA-N 2 0 341.499 3.289 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125331404 162269184 /nfs/dbraw/zinc/26/91/84/162269184.db2.gz JASYFEVXLWVGBS-XLIONFOSSA-N 2 0 331.504 3.231 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H]2CCO[C@H]21 ZINC000248413473 163003151 /nfs/dbraw/zinc/00/31/51/163003151.db2.gz LGWGMPBKMLWYLR-JMPUJIDWSA-N 2 0 340.511 3.300 20 0 EGADRP Cc1cc(=O)[nH]c([C@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000248771733 163034019 /nfs/dbraw/zinc/03/40/19/163034019.db2.gz SUIGKKZXDXTWQI-FUHWJXTLSA-N 2 0 340.471 3.006 20 0 EGADRP CCc1nc2cc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)ccc2n1C1CC1 ZINC000338793321 163350609 /nfs/dbraw/zinc/35/06/09/163350609.db2.gz NXYOJAKKYRPNKW-WMLDXEAASA-N 2 0 326.488 3.363 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000354760896 166025865 /nfs/dbraw/zinc/02/58/65/166025865.db2.gz WYCMLIZXKMGWAI-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(C3CCC3)s2)C[C@H](C)O1 ZINC000343803872 164038332 /nfs/dbraw/zinc/03/83/32/164038332.db2.gz GHQIEKXWQWZHQP-GASCZTMLSA-N 2 0 337.533 3.390 20 0 EGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343979132 164076628 /nfs/dbraw/zinc/07/66/28/164076628.db2.gz IUUCFVXLGHTUEY-MGPUTAFESA-N 2 0 325.456 3.045 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000343985886 164077545 /nfs/dbraw/zinc/07/75/45/164077545.db2.gz MRJBVGSXJFZWOU-HXUWFJFHSA-N 2 0 339.483 3.133 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H](C)C2 ZINC000343985915 164077742 /nfs/dbraw/zinc/07/77/42/164077742.db2.gz MVWDMPOCUWMSOB-HRAATJIYSA-N 2 0 339.483 3.354 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](CC)CC ZINC000346154183 164352247 /nfs/dbraw/zinc/35/22/47/164352247.db2.gz SNLAVGNXSDOIOY-GBESFXJTSA-N 2 0 337.552 3.220 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000346313389 164368150 /nfs/dbraw/zinc/36/81/50/164368150.db2.gz MFEMLEWRKACPID-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CSc1cc2c(cc1C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)OCCO2 ZINC000347109920 164445685 /nfs/dbraw/zinc/44/56/85/164445685.db2.gz PQUVHSDJIKPXPK-MRXNPFEDSA-N 2 0 348.512 3.144 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000352178597 165269463 /nfs/dbraw/zinc/26/94/63/165269463.db2.gz OXXNXIXPQPXCCC-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352808520 165508155 /nfs/dbraw/zinc/50/81/55/165508155.db2.gz AAJXYCXYSNCWPG-UHFFFAOYSA-N 2 0 335.923 3.202 20 0 EGADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359216110 287136997 /nfs/dbraw/zinc/13/69/97/287136997.db2.gz LAKQQLLOEFEVBM-HNNXBMFYSA-N 2 0 337.458 3.033 20 0 EGADRP C[C@@]1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CCC[NH2+]C1 ZINC000353510272 165787209 /nfs/dbraw/zinc/78/72/09/165787209.db2.gz RRCYCOFXARHUDN-HXUWFJFHSA-N 2 0 329.488 3.391 20 0 EGADRP Cc1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000355286134 166154734 /nfs/dbraw/zinc/15/47/34/166154734.db2.gz VBSYLZLRUJMTJS-SZPZYZBQSA-N 2 0 335.495 3.386 20 0 EGADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCOCC4CC4)C3)C2)cc1 ZINC000355777639 166305186 /nfs/dbraw/zinc/30/51/86/166305186.db2.gz CISONZZLUZZMDY-OAQYLSRUSA-N 2 0 328.500 3.401 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000359080541 167061801 /nfs/dbraw/zinc/06/18/01/167061801.db2.gz QUWDPNJKIVUGAM-PZJWPPBQSA-N 2 0 342.531 3.176 20 0 EGADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)C[NH+](C)C ZINC000359277295 167113179 /nfs/dbraw/zinc/11/31/79/167113179.db2.gz DRPWOTXIAIMPGU-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000359555640 167191959 /nfs/dbraw/zinc/19/19/59/167191959.db2.gz KWIYTLPUNODCRX-QAPCUYQASA-N 2 0 343.471 3.200 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000359805823 167237665 /nfs/dbraw/zinc/23/76/65/167237665.db2.gz ZEUUEFTWPVHRNV-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)s1 ZINC000365817752 168047082 /nfs/dbraw/zinc/04/70/82/168047082.db2.gz CLLUKBURWYAOCL-CQSZACIVSA-N 2 0 333.505 3.102 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CCN(Cc3cc(C(C)(C)C)on3)CC2)C[C@H](C)O1 ZINC000365985889 168067834 /nfs/dbraw/zinc/06/78/34/168067834.db2.gz DXBOYINCGXHFCW-IYBDPMFKSA-N 2 0 349.519 3.293 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224803 168095998 /nfs/dbraw/zinc/09/59/98/168095998.db2.gz ZEXQDWPURNAUJK-GIVPXCGWSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000366741122 168135098 /nfs/dbraw/zinc/13/50/98/168135098.db2.gz TYJRPVNJGJFSQC-QZTJIDSGSA-N 2 0 338.536 3.014 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367058498 168174199 /nfs/dbraw/zinc/17/41/99/168174199.db2.gz ULBXMEXIIUFJMI-PZJWPPBQSA-N 2 0 344.547 3.115 20 0 EGADRP Clc1c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000367401505 168220308 /nfs/dbraw/zinc/22/03/08/168220308.db2.gz ZPBVFLQQQQLOAU-QZTJIDSGSA-N 2 0 344.890 3.301 20 0 EGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000367703059 168260620 /nfs/dbraw/zinc/26/06/20/168260620.db2.gz MTJOTUNAIJDSRN-OAHLLOKOSA-N 2 0 327.428 3.055 20 0 EGADRP C[C@@H](O)c1ncc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000368029316 168299337 /nfs/dbraw/zinc/29/93/37/168299337.db2.gz IZVLENZATDDFKE-QQFBHYJXSA-N 2 0 337.533 3.329 20 0 EGADRP COCCC[NH+]1CCC(N[C@H](C)c2cnc3ccsc3c2)CC1 ZINC000159186261 225166040 /nfs/dbraw/zinc/16/60/40/225166040.db2.gz HUKIIDYRFLKPBS-CQSZACIVSA-N 2 0 333.501 3.448 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C[NH+]1CCCC1 ZINC000165274976 226117741 /nfs/dbraw/zinc/11/77/41/226117741.db2.gz VCZJAUNOHRIUIQ-CVEARBPZSA-N 2 0 344.503 3.353 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)CC3 ZINC000123087331 222212161 /nfs/dbraw/zinc/21/21/61/222212161.db2.gz PLWQAASBOGRAQS-HUUCEWRRSA-N 2 0 339.483 3.108 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000123971738 222359993 /nfs/dbraw/zinc/35/99/93/222359993.db2.gz PVZDBKYZZDFCEO-MRXNPFEDSA-N 2 0 339.936 3.104 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000177850376 265282090 /nfs/dbraw/zinc/28/20/90/265282090.db2.gz LBZHSJIIEDOFDS-UXHICEINSA-N 2 0 329.532 3.271 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634923 265333510 /nfs/dbraw/zinc/33/35/10/265333510.db2.gz BDGLXVHAJOKMPP-DBXWQHBBSA-N 3 0 329.532 3.217 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000179008826 265355692 /nfs/dbraw/zinc/35/56/92/265355692.db2.gz OPCDUWPLFIAEIK-OKILXGFUSA-N 2 0 328.859 3.458 20 0 EGADRP CCOc1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000179172468 265365285 /nfs/dbraw/zinc/36/52/85/265365285.db2.gz YFTNKZBKDDSFOE-UTKZUKDTSA-N 2 0 344.499 3.413 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180206375 265398368 /nfs/dbraw/zinc/39/83/68/265398368.db2.gz CFFAUPCPWXBKII-KLAILNCOSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000181922717 265414557 /nfs/dbraw/zinc/41/45/57/265414557.db2.gz DTHFOXCNZCLOBV-SFHVURJKSA-N 2 0 341.902 3.403 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C3(C[NH3+])CCCC3)cc2)CC1 ZINC000236633501 266209209 /nfs/dbraw/zinc/20/92/09/266209209.db2.gz AWSFZHIDGQZMSM-UHFFFAOYSA-N 2 0 343.515 3.054 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000271584773 266691192 /nfs/dbraw/zinc/69/11/92/266691192.db2.gz RZCCNRRRLBGNFE-ILZDJORESA-N 2 0 334.504 3.481 20 0 EGADRP Cc1noc(CCC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000274070545 267174762 /nfs/dbraw/zinc/17/47/62/267174762.db2.gz REYHQZBXQQCLMQ-HZPDHXFCSA-N 2 0 342.487 3.057 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000274405557 267231740 /nfs/dbraw/zinc/23/17/40/267231740.db2.gz BWKLQLXKOJXPAT-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000274575531 267257333 /nfs/dbraw/zinc/25/73/33/267257333.db2.gz FQACBOCOOZPASW-INIZCTEOSA-N 2 0 331.504 3.065 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000274669092 267269930 /nfs/dbraw/zinc/26/99/30/267269930.db2.gz XFRNYMXGIBZFCY-KXBFYZLASA-N 2 0 335.923 3.333 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000106367140 273868809 /nfs/dbraw/zinc/86/88/09/273868809.db2.gz DVVVREMSEIXOKK-KRWDZBQOSA-N 2 0 337.305 3.238 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CSCCc3ccccc32)C[C@H](C)O1 ZINC000246979968 274346977 /nfs/dbraw/zinc/34/69/77/274346977.db2.gz KAPDSUHAWGLRGJ-QKLQHJQFSA-N 2 0 348.556 3.496 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000358298271 275053379 /nfs/dbraw/zinc/05/33/79/275053379.db2.gz MFCVVZBFQWNBEB-GBESFXJTSA-N 2 0 334.891 3.295 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000263280379 275233365 /nfs/dbraw/zinc/23/33/65/275233365.db2.gz UEFHIDIRNHUHGA-PZJWPPBQSA-N 2 0 343.515 3.196 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000270423107 275237264 /nfs/dbraw/zinc/23/72/64/275237264.db2.gz GIMJXBXMKBETBN-XUVXKRRUSA-N 2 0 344.499 3.064 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000271902825 275240039 /nfs/dbraw/zinc/24/00/39/275240039.db2.gz WBAKJPPKAQKWAT-UHFFFAOYSA-N 2 0 333.907 3.156 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)o1 ZINC000278624095 275260157 /nfs/dbraw/zinc/26/01/57/275260157.db2.gz GLGRCDOBEWJLCQ-DNVCBOLYSA-N 2 0 328.456 3.314 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1OC ZINC000278904242 275286123 /nfs/dbraw/zinc/28/61/23/275286123.db2.gz RPSJWZKLZRFHTC-SFHVURJKSA-N 2 0 348.487 3.198 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000279789806 275359643 /nfs/dbraw/zinc/35/96/43/275359643.db2.gz UXAXFFRRCWUGNT-JPLJXNOCSA-N 2 0 334.504 3.242 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000284366517 275795035 /nfs/dbraw/zinc/79/50/35/275795035.db2.gz NJIZUKXDJMCONH-HXUWFJFHSA-N 2 0 342.487 3.134 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287259230 276101772 /nfs/dbraw/zinc/10/17/72/276101772.db2.gz AIBOBMGECIBQDN-SFHVURJKSA-N 2 0 341.503 3.430 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000121198743 276195844 /nfs/dbraw/zinc/19/58/44/276195844.db2.gz FNHLNTQYQPWSTF-WMZOPIPTSA-N 2 0 333.520 3.156 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)c2)CC1 ZINC000343841987 276197990 /nfs/dbraw/zinc/19/79/90/276197990.db2.gz ABHUVZQSJRILDN-PXNSSMCTSA-N 2 0 343.515 3.288 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000359925412 276199602 /nfs/dbraw/zinc/19/96/02/276199602.db2.gz MEFCNSJDOXJIRM-FMKPAKJESA-N 2 0 339.574 3.289 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000288455564 276216117 /nfs/dbraw/zinc/21/61/17/276216117.db2.gz PQYRKULZPIWEOA-YLJYHZDGSA-N 2 0 343.515 3.227 20 0 EGADRP CCOCC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000288500805 276220721 /nfs/dbraw/zinc/22/07/21/276220721.db2.gz HZVSOYQTLQWVSJ-UHFFFAOYSA-N 2 0 347.547 3.369 20 0 EGADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000289820186 276400549 /nfs/dbraw/zinc/40/05/49/276400549.db2.gz ADZPLMHQEZITKK-INIZCTEOSA-N 2 0 345.462 3.272 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3c[nH]c4nccnc34)CC2)c1 ZINC000290911519 276559542 /nfs/dbraw/zinc/55/95/42/276559542.db2.gz PJSQWBFBKXRXOM-UHFFFAOYSA-N 2 0 341.484 3.021 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000131157248 277386741 /nfs/dbraw/zinc/38/67/41/277386741.db2.gz YGKZOHOEQASXFU-GOSISDBHSA-N 3 0 347.547 3.398 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1N(C)C ZINC000246468627 278254436 /nfs/dbraw/zinc/25/44/36/278254436.db2.gz QIJJKSVPXKLLCC-ORYQWCPZSA-N 2 0 345.531 3.171 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000248462474 278358430 /nfs/dbraw/zinc/35/84/30/278358430.db2.gz YIXRUAXUTISQOW-FOIQADDNSA-N 2 0 328.431 3.243 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000131274423 279044460 /nfs/dbraw/zinc/04/44/60/279044460.db2.gz XMIXINMWPJWKNA-PMACEKPBSA-N 2 0 343.515 3.156 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccco1 ZINC000078714800 279146883 /nfs/dbraw/zinc/14/68/83/279146883.db2.gz VHGQJHLZKYSVCO-IRXDYDNUSA-N 2 0 335.492 3.043 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000354264075 279153748 /nfs/dbraw/zinc/15/37/48/279153748.db2.gz BYSHLPLMOFCZBH-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)N1CC[NH+](C)CC1 ZINC000127843579 279353873 /nfs/dbraw/zinc/35/38/73/279353873.db2.gz RLBZBLWEZBREFY-WBMJQRKESA-N 2 0 342.314 3.206 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000187159370 280992151 /nfs/dbraw/zinc/99/21/51/280992151.db2.gz XPIPVYQIEBEOBL-WIYYLYMNSA-N 2 0 329.532 3.309 20 0 EGADRP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245950430 289336157 /nfs/dbraw/zinc/33/61/57/289336157.db2.gz ATXKODODGAVGKS-IAGOWNOFSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000354898322 300252584 /nfs/dbraw/zinc/25/25/84/300252584.db2.gz SNZIROQAKBMBLC-ROUUACIJSA-N 2 0 340.552 3.403 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1C ZINC000069171444 301985671 /nfs/dbraw/zinc/98/56/71/301985671.db2.gz DXGWBSIETASCAS-QFIPXVFZSA-N 2 0 337.511 3.382 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000113441299 307475907 /nfs/dbraw/zinc/47/59/07/307475907.db2.gz LSIFGAGZFDQHLU-GFCCVEGCSA-N 2 0 331.287 3.348 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)[NH+]1CCCCC1 ZINC000413944238 309053442 /nfs/dbraw/zinc/05/34/42/309053442.db2.gz ZDZQFEFIEJQCMF-GOSISDBHSA-N 2 0 335.467 3.336 20 0 EGADRP CCCN(CC[NH+](CC)CC)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000133158281 307668512 /nfs/dbraw/zinc/66/85/12/307668512.db2.gz RWCVIFXXMUYLQH-UHFFFAOYSA-N 2 0 340.556 3.059 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000414133923 309062713 /nfs/dbraw/zinc/06/27/13/309062713.db2.gz BVCKWQFEPOPGAQ-PFAUGDHASA-N 2 0 328.500 3.180 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000134586770 307690388 /nfs/dbraw/zinc/69/03/88/307690388.db2.gz NQMVNUNCFHGCKF-NRFANRHFSA-N 2 0 343.515 3.211 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414161247 309063916 /nfs/dbraw/zinc/06/39/16/309063916.db2.gz KCDJBPUJXWIODO-MSOLQXFVSA-N 2 0 349.519 3.094 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414173616 309064643 /nfs/dbraw/zinc/06/46/43/309064643.db2.gz FYUXOBAJHTTYIP-ZBFHGGJFSA-N 2 0 333.476 3.036 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000152815564 307760256 /nfs/dbraw/zinc/76/02/56/307760256.db2.gz SOBTUOKNICUVNI-HOJAQTOUSA-N 2 0 329.532 3.405 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154393694 307793846 /nfs/dbraw/zinc/79/38/46/307793846.db2.gz QEBWJOCIFJGVHY-LJQANCHMSA-N 2 0 347.547 3.400 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H](C)Cn1cc(Br)cn1)C(C)C ZINC000155828409 307821614 /nfs/dbraw/zinc/82/16/14/307821614.db2.gz ABVBUACBEDNQCC-AWEZNQCLSA-N 2 0 345.329 3.133 20 0 EGADRP Cc1occc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000414292486 309070931 /nfs/dbraw/zinc/07/09/31/309070931.db2.gz LOEBSVRYPQBOKI-HZPDHXFCSA-N 2 0 328.456 3.487 20 0 EGADRP CC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165592896 307929784 /nfs/dbraw/zinc/92/97/84/307929784.db2.gz UCJNUDAHEJVZRI-CYBMUJFWSA-N 2 0 329.410 3.345 20 0 EGADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1C(F)(F)F ZINC000414378372 309076455 /nfs/dbraw/zinc/07/64/55/309076455.db2.gz KUFQMYLDPJUMLJ-UHFFFAOYSA-N 2 0 344.421 3.339 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCCO1 ZINC000248410141 308002484 /nfs/dbraw/zinc/00/24/84/308002484.db2.gz GSGQJGBMUOWQDG-YMQHIKHWSA-N 2 0 328.500 3.444 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000248712093 308009801 /nfs/dbraw/zinc/00/98/01/308009801.db2.gz JMPVINRBURNLNK-OXQOHEQNSA-N 2 0 329.488 3.389 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000414405011 309078144 /nfs/dbraw/zinc/07/81/44/309078144.db2.gz IQVJWEHZUULFSE-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294692803 308246382 /nfs/dbraw/zinc/24/63/82/308246382.db2.gz ATOOISOERMZTLY-ODLRDIKDSA-N 2 0 332.488 3.411 20 0 EGADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000294887777 308268068 /nfs/dbraw/zinc/26/80/68/308268068.db2.gz YCSKIQRBZPEHSF-OAFZBRQQSA-N 2 0 334.529 3.137 20 0 EGADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921574 308271874 /nfs/dbraw/zinc/27/18/74/308271874.db2.gz FRIRQLNZOMNTID-AHSZXGJYSA-N 2 0 327.516 3.112 20 0 EGADRP CSc1ccc([C@@H](CNC2CC[NH+](C(C)C)CC2)[NH+](C)C)cc1 ZINC000294926711 308272411 /nfs/dbraw/zinc/27/24/11/308272411.db2.gz HEXTVCXAYXTGMT-LJQANCHMSA-N 2 0 335.561 3.474 20 0 EGADRP CSCC1CCC([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000295439075 308326872 /nfs/dbraw/zinc/32/68/72/308326872.db2.gz PIADQNYWSZZYQI-UHFFFAOYSA-N 2 0 337.533 3.033 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(F)ncc1F ZINC000295588533 308341106 /nfs/dbraw/zinc/34/11/06/308341106.db2.gz DZRCYDHUINBKCQ-KDOFPFPSSA-N 2 0 331.410 3.360 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295917287 308374361 /nfs/dbraw/zinc/37/43/61/308374361.db2.gz JPAGVWXUBMVBAV-AQXGTKIOSA-N 2 0 344.503 3.492 20 0 EGADRP C[C@@H](c1ccccc1Cl)[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414675276 309094997 /nfs/dbraw/zinc/09/49/97/309094997.db2.gz LUPIUXZDRIVIRO-LSDHHAIUSA-N 2 0 349.906 3.063 20 0 EGADRP C[C@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414682428 309095309 /nfs/dbraw/zinc/09/53/09/309095309.db2.gz REJZNOVXLXNDDY-WMZOPIPTSA-N 2 0 335.923 3.236 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000414719112 309097350 /nfs/dbraw/zinc/09/73/50/309097350.db2.gz XIWCFZBFXYBAGD-NEPJUHHUSA-N 2 0 341.268 3.334 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000414732504 309097949 /nfs/dbraw/zinc/09/79/49/309097949.db2.gz AIQFMPAWDQGNBO-CPUCHLNUSA-N 2 0 340.414 3.049 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414738024 309098118 /nfs/dbraw/zinc/09/81/18/309098118.db2.gz AXLVZWAIOMQHCV-NJAFHUGGSA-N 2 0 326.488 3.197 20 0 EGADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC[NH2+]1 ZINC000414749439 309098654 /nfs/dbraw/zinc/09/86/54/309098654.db2.gz PYUJTDTZJSOMBU-KBPBESRZSA-N 2 0 336.426 3.248 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000297369361 308527332 /nfs/dbraw/zinc/52/73/32/308527332.db2.gz GJGXDSMDPLWLNP-UTKZUKDTSA-N 2 0 338.499 3.331 20 0 EGADRP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772077 309100032 /nfs/dbraw/zinc/10/00/32/309100032.db2.gz BGADOOIEZQWQOG-GJZGRUSLSA-N 2 0 328.378 3.407 20 0 EGADRP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414768611 309099705 /nfs/dbraw/zinc/09/97/05/309099705.db2.gz MAOHDFSTBUSITA-GASCZTMLSA-N 2 0 330.863 3.162 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000414776665 309100312 /nfs/dbraw/zinc/10/03/12/309100312.db2.gz HIOCXARPMZEYBZ-ZIAGYGMSSA-N 2 0 340.414 3.118 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783240 309100770 /nfs/dbraw/zinc/10/07/70/309100770.db2.gz PRSZYGLLJDJRTI-IRXDYDNUSA-N 2 0 331.479 3.247 20 0 EGADRP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414783603 309100911 /nfs/dbraw/zinc/10/09/11/309100911.db2.gz QDJCQQJWDXVZMY-NWDGAFQWSA-N 2 0 329.307 3.332 20 0 EGADRP COc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414788493 309101284 /nfs/dbraw/zinc/10/12/84/309101284.db2.gz WQAACEUGHILGRV-KBPBESRZSA-N 2 0 331.485 3.126 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414788132 309101323 /nfs/dbraw/zinc/10/13/23/309101323.db2.gz WIBINTIQPVTFIF-JQHSSLGASA-N 2 0 334.479 3.334 20 0 EGADRP c1c(C[NH2+]C2CC[NH2+]CC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414791932 309101649 /nfs/dbraw/zinc/10/16/49/309101649.db2.gz ROMSPDMJFLLXHH-UHFFFAOYSA-N 2 0 346.478 3.440 20 0 EGADRP c1cc(N2CCC([NH2+]Cc3ccc(OCC4CC4)nc3)CC2)cc[nH+]1 ZINC000298490790 308618866 /nfs/dbraw/zinc/61/88/66/308618866.db2.gz PXWGHVFQODXHTB-UHFFFAOYSA-N 2 0 338.455 3.024 20 0 EGADRP C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603508 308627517 /nfs/dbraw/zinc/62/75/17/308627517.db2.gz ZJJURENPNZCFRZ-KZNAEPCWSA-N 2 0 330.520 3.006 20 0 EGADRP Cc1ccc(OCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298608792 308627788 /nfs/dbraw/zinc/62/77/88/308627788.db2.gz ZVBHHOLMLOACCZ-UHFFFAOYSA-N 2 0 325.456 3.418 20 0 EGADRP COc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1OCc1ccccc1 ZINC000414813590 309103195 /nfs/dbraw/zinc/10/31/95/309103195.db2.gz YNWIEDWDFOBXOI-OALUTQOASA-N 2 0 340.467 3.491 20 0 EGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414835426 309104614 /nfs/dbraw/zinc/10/46/14/309104614.db2.gz RSTALDVPCHPUPY-LBPRGKRZSA-N 2 0 338.377 3.185 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCCC2 ZINC000344098348 308882036 /nfs/dbraw/zinc/88/20/36/308882036.db2.gz JQXWQLTWWCKPKI-WOJBJXKFSA-N 2 0 346.515 3.454 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411530816 308942983 /nfs/dbraw/zinc/94/29/83/308942983.db2.gz KGXOABQJDZCJHA-SJORKVTESA-N 2 0 332.488 3.350 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412166175 308972593 /nfs/dbraw/zinc/97/25/93/308972593.db2.gz PFNGRUGXMFUPFU-WOJBJXKFSA-N 2 0 343.515 3.275 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2cc1OC ZINC000413191400 309020569 /nfs/dbraw/zinc/02/05/69/309020569.db2.gz GUDRSKDBCBCWND-WMLDXEAASA-N 2 0 341.455 3.173 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414903394 309108404 /nfs/dbraw/zinc/10/84/04/309108404.db2.gz IJCVJKWTENKIIB-CJNGLKHVSA-N 2 0 325.294 3.359 20 0 EGADRP Cc1cc(Br)cc(C[NH2+]C[C@H](C)C[NH3+])c1OC(F)F ZINC000414886582 309107357 /nfs/dbraw/zinc/10/73/57/309107357.db2.gz YKVKRWGNBWAYAA-MRVPVSSYSA-N 2 0 337.208 3.043 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000414951830 309111143 /nfs/dbraw/zinc/11/11/43/309111143.db2.gz HLDZOSYLWFJFAI-AGHHOFFYSA-N 2 0 335.495 3.299 20 0 EGADRP CCOc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000414963117 309111907 /nfs/dbraw/zinc/11/19/07/309111907.db2.gz CPJMQSATHPSKBW-CQSZACIVSA-N 2 0 328.403 3.309 20 0 EGADRP COCC1(C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414966459 309111996 /nfs/dbraw/zinc/11/19/96/309111996.db2.gz CCYLNKJUGTYJPD-CQSZACIVSA-N 2 0 344.421 3.242 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414967812 309112018 /nfs/dbraw/zinc/11/20/18/309112018.db2.gz HORIAXXIGODBNC-HNNXBMFYSA-N 2 0 348.288 3.475 20 0 EGADRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000414974950 309112375 /nfs/dbraw/zinc/11/23/75/309112375.db2.gz NZPORVSXYQDHML-AWEZNQCLSA-N 2 0 346.393 3.258 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000414998507 309113464 /nfs/dbraw/zinc/11/34/64/309113464.db2.gz QVPDWKVBBNZBEI-YHBQWLBYSA-N 2 0 339.527 3.003 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414999326 309113486 /nfs/dbraw/zinc/11/34/86/309113486.db2.gz RROKDKNLMYVRFA-MOPGFXCFSA-N 2 0 326.488 3.155 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414999330 309113511 /nfs/dbraw/zinc/11/35/11/309113511.db2.gz RROKDKNLMYVRFA-RTBURBONSA-N 2 0 326.488 3.155 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000415016881 309114530 /nfs/dbraw/zinc/11/45/30/309114530.db2.gz QLYLKYCYKIVSBQ-LLVKDONJSA-N 2 0 342.274 3.181 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1OCc1ccccc1 ZINC000415018892 309114705 /nfs/dbraw/zinc/11/47/05/309114705.db2.gz HGQFIRWAOMJHDI-INIZCTEOSA-N 2 0 328.456 3.491 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000415027188 309115136 /nfs/dbraw/zinc/11/51/36/309115136.db2.gz VTZKOOOFWWPOGL-ISMARYCFSA-N 3 0 341.543 3.252 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000415030327 309115272 /nfs/dbraw/zinc/11/52/72/309115272.db2.gz FQBBYOSXSKHDOX-APWZRJJASA-N 2 0 347.466 3.151 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[NH2+]C1CC1 ZINC000415065407 309117905 /nfs/dbraw/zinc/11/79/05/309117905.db2.gz GFFIXLANFDXEJU-GFCCVEGCSA-N 2 0 343.393 3.154 20 0 EGADRP COc1ccc([C@H](CN[C@@H](C)C[C@H]2CCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000415074466 309118566 /nfs/dbraw/zinc/11/85/66/309118566.db2.gz ACGBNVFNZLMSCN-DSKINZAPSA-N 2 0 345.531 3.342 20 0 EGADRP CC1CCN([C@H](C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c2cccs2)CC1 ZINC000415079513 309118881 /nfs/dbraw/zinc/11/88/81/309118881.db2.gz HWOZSMGVYJMSSP-KZNAEPCWSA-N 2 0 335.561 3.499 20 0 EGADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415085190 309119115 /nfs/dbraw/zinc/11/91/15/309119115.db2.gz QMJVNINRPUGSDN-MBPVOVBZSA-N 2 0 342.531 3.117 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415101577 309120472 /nfs/dbraw/zinc/12/04/72/309120472.db2.gz CHAHREYBRFDACU-UIFIKXQLSA-N 2 0 330.516 3.474 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000415103083 309120653 /nfs/dbraw/zinc/12/06/53/309120653.db2.gz FMODJNWMDRLMIL-FUHWJXTLSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000415115215 309121299 /nfs/dbraw/zinc/12/12/99/309121299.db2.gz WUXFEBIOYWYBBQ-DLBZAZTESA-N 2 0 326.843 3.197 20 0 EGADRP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1-c1ccccn1 ZINC000415119115 309121585 /nfs/dbraw/zinc/12/15/85/309121585.db2.gz WWRIVOWLVOGCGB-BZUAXINKSA-N 2 0 342.512 3.258 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCCCOc3ccccc3)CC2)C1 ZINC000415126746 309122145 /nfs/dbraw/zinc/12/21/45/309122145.db2.gz PXRWVSOZKFXHGE-CTNGQTDRSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000415127469 309122325 /nfs/dbraw/zinc/12/23/25/309122325.db2.gz IEISRSVDDIKTOF-HBFSDRIKSA-N 2 0 329.532 3.394 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415130667 309122510 /nfs/dbraw/zinc/12/25/10/309122510.db2.gz RGHVWPYYBXJCBX-NHCUHLMSSA-N 2 0 346.515 3.440 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]([NH3+])c3ccccc3)ccc21 ZINC000415784561 309143896 /nfs/dbraw/zinc/14/38/96/309143896.db2.gz HHTIQQJEEIJOAL-MOPGFXCFSA-N 2 0 338.455 3.057 20 0 EGADRP CCCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC[NH2+]CC1 ZINC000415790272 309144011 /nfs/dbraw/zinc/14/40/11/309144011.db2.gz PGWBDEHFOQMOBF-LJQANCHMSA-N 2 0 344.503 3.231 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880490 309145785 /nfs/dbraw/zinc/14/57/85/309145785.db2.gz FVKJOMCKHQCSPY-INIZCTEOSA-N 2 0 344.503 3.108 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000415906710 309147479 /nfs/dbraw/zinc/14/74/79/309147479.db2.gz LHJYGAJUNUCPFS-MRXNPFEDSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000415927924 309149236 /nfs/dbraw/zinc/14/92/36/309149236.db2.gz DWASGMIBPCEHRF-CVEARBPZSA-N 2 0 332.492 3.181 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000415932040 309149519 /nfs/dbraw/zinc/14/95/19/309149519.db2.gz NJPWPPXLTVNFPV-IAGOWNOFSA-N 2 0 346.519 3.286 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000415932947 309149689 /nfs/dbraw/zinc/14/96/89/309149689.db2.gz NOMGQLDNBZPYGX-BRWVUGGUSA-N 2 0 346.519 3.284 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000415936746 309149990 /nfs/dbraw/zinc/14/99/90/309149990.db2.gz VCDQAONQJADFMC-UHFFFAOYSA-N 2 0 340.471 3.050 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415947919 309150770 /nfs/dbraw/zinc/15/07/70/309150770.db2.gz XLUIGPGKWMAWTM-IEBWSBKVSA-N 2 0 346.519 3.428 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000415976929 309152405 /nfs/dbraw/zinc/15/24/05/309152405.db2.gz WYFGWNQOPIFDRJ-UHFFFAOYSA-N 2 0 344.503 3.134 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000415989556 309153239 /nfs/dbraw/zinc/15/32/39/309153239.db2.gz LMVZJXVQNZFBBB-UHFFFAOYSA-N 2 0 332.492 3.182 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416153831 309161143 /nfs/dbraw/zinc/16/11/43/309161143.db2.gz GBTWHJQVPKYYPX-NZSAHSFTSA-N 2 0 331.504 3.011 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000416161800 309161582 /nfs/dbraw/zinc/16/15/82/309161582.db2.gz NSLQWSAXLSEUQS-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000416898374 309185723 /nfs/dbraw/zinc/18/57/23/309185723.db2.gz ZSJXVEUYLFOXOV-IBGZPJMESA-N 2 0 348.535 3.043 20 0 EGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417837063 309224543 /nfs/dbraw/zinc/22/45/43/309224543.db2.gz PJYQXEZUMMJOII-RBUKOAKNSA-N 2 0 339.483 3.091 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000418176474 309238730 /nfs/dbraw/zinc/23/87/30/309238730.db2.gz HBIAVDZRNBHFOH-WDSOQIARSA-N 2 0 348.535 3.001 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000418424731 309245676 /nfs/dbraw/zinc/24/56/76/309245676.db2.gz IAPSHTNXKZSQHM-UHFFFAOYSA-N 2 0 340.556 3.048 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOCC3CCC3)CC2)C[C@@H](C)O1 ZINC000419222788 309261628 /nfs/dbraw/zinc/26/16/28/309261628.db2.gz XNVRHIWQDKDRFE-QZTJIDSGSA-N 2 0 338.536 3.014 20 0 EGADRP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000420300377 309280066 /nfs/dbraw/zinc/28/00/66/309280066.db2.gz KFAFHQYAXIMDLZ-OALUTQOASA-N 2 0 346.515 3.491 20 0 EGADRP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000420305316 309280708 /nfs/dbraw/zinc/28/07/08/309280708.db2.gz PJGLWIVXHHYJBM-KSZLIROESA-N 2 0 330.497 3.124 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H](CC[NH3+])C3)CCC2)c1 ZINC000420308922 309281086 /nfs/dbraw/zinc/28/10/86/309281086.db2.gz KUXJCHIRMPACDJ-GOSISDBHSA-N 2 0 346.515 3.443 20 0 EGADRP COc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000420315435 309281516 /nfs/dbraw/zinc/28/15/16/309281516.db2.gz LUAHAWZKPITURU-ZDUSSCGKSA-N 2 0 328.403 3.118 20 0 EGADRP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322741 309282042 /nfs/dbraw/zinc/28/20/42/309282042.db2.gz FFJMLFAKJOLBFN-HOTGVXAUSA-N 2 0 342.512 3.130 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCOc2cccc(C)c2)cc1 ZINC000420325110 309282382 /nfs/dbraw/zinc/28/23/82/309282382.db2.gz WHPYMRZUGWFALR-SFHVURJKSA-N 2 0 328.456 3.057 20 0 EGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420334806 309282883 /nfs/dbraw/zinc/28/28/83/309282883.db2.gz GNINZORRZPDGEK-LSDHHAIUSA-N 2 0 346.500 3.052 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420347014 309283630 /nfs/dbraw/zinc/28/36/30/309283630.db2.gz ZTMNTRXHZBAXPM-KSSFIOAISA-N 2 0 349.906 3.439 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000420367633 309284586 /nfs/dbraw/zinc/28/45/86/309284586.db2.gz HGHKCPQKTMVBIN-YJBOKZPZSA-N 2 0 326.440 3.021 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000420373818 309285158 /nfs/dbraw/zinc/28/51/58/309285158.db2.gz GRPGJRGYYLDHPS-ROUUACIJSA-N 2 0 340.870 3.240 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420378835 309285235 /nfs/dbraw/zinc/28/52/35/309285235.db2.gz UQQZAAZXUWAMJE-YOEHRIQHSA-N 2 0 342.405 3.468 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000420377820 309285348 /nfs/dbraw/zinc/28/53/48/309285348.db2.gz LGUFDWWFKBTNEC-DLBZAZTESA-N 2 0 326.843 3.197 20 0 EGADRP FC(F)Oc1cccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000420382889 309285513 /nfs/dbraw/zinc/28/55/13/309285513.db2.gz YYTMPQZAQSTNIT-QGZVFWFLSA-N 2 0 340.414 3.051 20 0 EGADRP COc1ccc(Cl)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420386291 309285712 /nfs/dbraw/zinc/28/57/12/309285712.db2.gz ISOUZRZMFISCAL-YJBOKZPZSA-N 2 0 338.879 3.067 20 0 EGADRP Cn1c2ccccc2nc1[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420418664 309287056 /nfs/dbraw/zinc/28/70/56/309287056.db2.gz XDQWIFLBKBMHJN-UZLBHIALSA-N 2 0 334.467 3.252 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000420413097 309287103 /nfs/dbraw/zinc/28/71/03/309287103.db2.gz ZRAGIXFKUYRUTB-PBHICJAKSA-N 2 0 335.879 3.133 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000420943676 309302951 /nfs/dbraw/zinc/30/29/51/309302951.db2.gz ILYNJPWWBPKCBC-MRXNPFEDSA-N 2 0 335.458 3.067 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3ccccc3F)CC2)CC1 ZINC000420983320 309305733 /nfs/dbraw/zinc/30/57/33/309305733.db2.gz QLQZKODXQPYWED-KRWDZBQOSA-N 2 0 333.495 3.379 20 0 EGADRP CCOc1cccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000421366597 309320797 /nfs/dbraw/zinc/32/07/97/309320797.db2.gz CSKLCVFZKWNTQQ-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000421369842 309321084 /nfs/dbraw/zinc/32/10/84/309321084.db2.gz IAMBHZDVPWZBLE-GOSISDBHSA-N 2 0 347.522 3.421 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421820647 309341393 /nfs/dbraw/zinc/34/13/93/309341393.db2.gz NESHYGDXHHUCCH-GJZGRUSLSA-N 2 0 341.902 3.026 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421825799 309341844 /nfs/dbraw/zinc/34/18/44/309341844.db2.gz PICJKDXFJVGBKZ-RBBKRZOGSA-N 2 0 349.522 3.483 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000421840933 309342746 /nfs/dbraw/zinc/34/27/46/309342746.db2.gz JGLYGGBKOUHSNY-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)CC[NH2+]CC1 ZINC000422693905 309363300 /nfs/dbraw/zinc/36/33/00/309363300.db2.gz MXVVMLWQTNCKRS-ZIAGYGMSSA-N 2 0 338.879 3.312 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@H](C)CCC[NH3+])cn1 ZINC000422690809 309363376 /nfs/dbraw/zinc/36/33/76/309363376.db2.gz GXEKKNMKUBHAOM-OAHLLOKOSA-N 2 0 329.444 3.490 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422706096 309363953 /nfs/dbraw/zinc/36/39/53/309363953.db2.gz DITUIAKNZXQRNK-KBPBESRZSA-N 2 0 329.419 3.293 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422707231 309363982 /nfs/dbraw/zinc/36/39/82/309363982.db2.gz GXHNNTUDAFVXPC-AWEZNQCLSA-N 2 0 329.419 3.295 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)N1CCCCC1 ZINC000422714104 309364454 /nfs/dbraw/zinc/36/44/54/309364454.db2.gz QSRGBIMQSMWMAT-SXLOBPIMSA-N 2 0 345.531 3.200 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422718250 309364666 /nfs/dbraw/zinc/36/46/66/309364666.db2.gz WUDFYTZQMYYYDY-QFBILLFUSA-N 2 0 341.430 3.295 20 0 EGADRP Clc1cc(Cl)cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422716474 309364670 /nfs/dbraw/zinc/36/46/70/309364670.db2.gz NFIGLOMPOLWWQS-BRWVUGGUSA-N 2 0 343.298 3.283 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCOCCc1ccccc1 ZINC000422716278 309364712 /nfs/dbraw/zinc/36/47/12/309364712.db2.gz UDBCYPOAVMCERB-INIZCTEOSA-N 2 0 327.472 3.149 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422715509 309364733 /nfs/dbraw/zinc/36/47/33/309364733.db2.gz SEIZTWSLYPWVGF-APWZRJJASA-N 2 0 341.430 3.295 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422718778 309364784 /nfs/dbraw/zinc/36/47/84/309364784.db2.gz QAXYSIQIXODZME-YUMYIRISSA-N 3 0 341.543 3.061 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422720527 309364801 /nfs/dbraw/zinc/36/48/01/309364801.db2.gz SPQXVRPKAABFHE-DOTOQJQBSA-N 2 0 327.428 3.139 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422726326 309365399 /nfs/dbraw/zinc/36/53/99/309365399.db2.gz DOTIJOMEYMKKJM-RHSMWYFYSA-N 2 0 343.437 3.387 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422731269 309365745 /nfs/dbraw/zinc/36/57/45/309365745.db2.gz NJUHVSXELPBSQU-CTNGQTDRSA-N 2 0 338.451 3.083 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1C[NH2+]C1 ZINC000422738735 309366086 /nfs/dbraw/zinc/36/60/86/309366086.db2.gz ZGPGMWHFGPXCOP-LBPRGKRZSA-N 2 0 342.314 3.155 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000422746684 309366365 /nfs/dbraw/zinc/36/63/65/309366365.db2.gz OECBEGUMHUILAX-BVPBIZIASA-N 2 0 337.458 3.078 20 0 EGADRP CC[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)Cc1cccc(Br)c1 ZINC000422753429 309366647 /nfs/dbraw/zinc/36/66/47/309366647.db2.gz IGWUHNNZFLVVJL-CHWSQXEVSA-N 2 0 325.294 3.215 20 0 EGADRP c1ccc(NCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756137 309366740 /nfs/dbraw/zinc/36/67/40/309366740.db2.gz LIGZNQZUAXRJRK-TZIWHRDSSA-N 2 0 337.467 3.334 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422757117 309366850 /nfs/dbraw/zinc/36/68/50/309366850.db2.gz JMMLDVWSMBBLAD-OWCLPIDISA-N 2 0 332.536 3.256 20 0 EGADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Cc1cccc(Br)c1 ZINC000422767625 309367405 /nfs/dbraw/zinc/36/74/05/309367405.db2.gz YLZUHKNIILRXQT-MAZHCROVSA-N 2 0 325.294 3.487 20 0 EGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])COCc1ccccc1 ZINC000422770816 309367504 /nfs/dbraw/zinc/36/75/04/309367504.db2.gz XIBXVQSBSWXFDE-DBXWQHBBSA-N 2 0 326.484 3.387 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422773513 309367720 /nfs/dbraw/zinc/36/77/20/309367720.db2.gz UGSZSMIWBSNVDV-CVEARBPZSA-N 2 0 328.456 3.490 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000422783843 309368140 /nfs/dbraw/zinc/36/81/40/309368140.db2.gz OUYLZQGHRNNUCE-FPOVZHCZSA-N 3 0 345.531 3.014 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Oc1cccc(Br)c1 ZINC000422788549 309368193 /nfs/dbraw/zinc/36/81/93/309368193.db2.gz AWZGZHUKEAKFRQ-WQVCFCJDSA-N 2 0 341.293 3.466 20 0 EGADRP Cc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422789075 309368196 /nfs/dbraw/zinc/36/81/96/309368196.db2.gz SZNDCFSFVCSICY-YYWHXJBOSA-N 2 0 325.500 3.146 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(Br)c1 ZINC000422792933 309368461 /nfs/dbraw/zinc/36/84/61/309368461.db2.gz FAFHLIYHBNUAQM-XJKCOSOUSA-N 2 0 341.293 3.194 20 0 EGADRP c1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422802133 309369329 /nfs/dbraw/zinc/36/93/29/309369329.db2.gz AXYMAJWDTDLREO-VAMGGRTRSA-N 2 0 328.500 3.245 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422805841 309369447 /nfs/dbraw/zinc/36/94/47/309369447.db2.gz JSYMCWIPSOPWJL-SECBINFHSA-N 2 0 344.406 3.217 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])Oc1ccccc1Br ZINC000422828798 309370728 /nfs/dbraw/zinc/37/07/28/309370728.db2.gz BHGPASSFQYTCCJ-QWHCGFSZSA-N 2 0 329.282 3.324 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829020 309370729 /nfs/dbraw/zinc/37/07/29/309370729.db2.gz UHUMJMXSGQEBKU-IPJJNNNSSA-N 2 0 339.527 3.445 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422838769 309371056 /nfs/dbraw/zinc/37/10/56/309371056.db2.gz XZMKFZWJSCZMBS-VLCRHTCISA-N 2 0 337.511 3.199 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422842764 309371449 /nfs/dbraw/zinc/37/14/49/309371449.db2.gz GIXUJRXXCBMQAN-KSSFIOAISA-N 2 0 329.419 3.491 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422858767 309372427 /nfs/dbraw/zinc/37/24/27/309372427.db2.gz JEOGOSBLTNOVJD-PWRODBHTSA-N 2 0 346.515 3.250 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2c(OC)c1 ZINC000422859961 309372478 /nfs/dbraw/zinc/37/24/78/309372478.db2.gz HSFLEFBZWFALBB-KBXCAEBGSA-N 2 0 345.487 3.095 20 0 EGADRP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422860129 309372480 /nfs/dbraw/zinc/37/24/80/309372480.db2.gz LOXWIUXRBSSTRA-QHAWAJNXSA-N 2 0 338.499 3.315 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2c(OC)c1 ZINC000422867448 309372740 /nfs/dbraw/zinc/37/27/40/309372740.db2.gz SGJZGJQVEUAZEG-ZWKOTPCHSA-N 2 0 345.487 3.367 20 0 EGADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422868725 309372831 /nfs/dbraw/zinc/37/28/31/309372831.db2.gz VMDMHPVQEROFNU-HSALFYBXSA-N 2 0 346.515 3.421 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000422881493 309373840 /nfs/dbraw/zinc/37/38/40/309373840.db2.gz YRDWNPJNPRGGRL-YTQUADARSA-N 2 0 332.488 3.031 20 0 EGADRP COCCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422886442 309374294 /nfs/dbraw/zinc/37/42/94/309374294.db2.gz IZUUUCQSCFHGOI-XLIONFOSSA-N 2 0 330.472 3.039 20 0 EGADRP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422888861 309374392 /nfs/dbraw/zinc/37/43/92/309374392.db2.gz OEUNPLGBUHMRGI-VNTMZGSJSA-N 2 0 347.547 3.068 20 0 EGADRP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422891445 309374662 /nfs/dbraw/zinc/37/46/62/309374662.db2.gz KNMLLNCZPFBFDE-SLFFLAALSA-N 2 0 343.515 3.227 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cn2)c1 ZINC000422895951 309374808 /nfs/dbraw/zinc/37/48/08/309374808.db2.gz GWZWMYBNIXOVIC-QAPCUYQASA-N 2 0 327.428 3.100 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902684 309375275 /nfs/dbraw/zinc/37/52/75/309375275.db2.gz UYNAWNCRAODCNX-PKOBYXMFSA-N 2 0 330.520 3.472 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422904000 309375396 /nfs/dbraw/zinc/37/53/96/309375396.db2.gz GHTGTWBHYPJESQ-FGZHOGPDSA-N 3 0 343.559 3.438 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422936137 309376994 /nfs/dbraw/zinc/37/69/94/309376994.db2.gz IBPGZQXVHDYCIJ-XLIONFOSSA-N 2 0 342.414 3.180 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422951682 309377683 /nfs/dbraw/zinc/37/76/83/309377683.db2.gz ZRXVBRPKXGWUFL-ZBFHGGJFSA-N 2 0 344.528 3.385 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc2c(c1)OCCO2 ZINC000422950701 309377748 /nfs/dbraw/zinc/37/77/48/309377748.db2.gz WNYCFAXARWAXNB-KBXCAEBGSA-N 2 0 341.455 3.422 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422954852 309377837 /nfs/dbraw/zinc/37/78/37/309377837.db2.gz IFWUOVOYFAUIDV-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)(C)c1ccccc1OCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422954510 309377936 /nfs/dbraw/zinc/37/79/36/309377936.db2.gz HRLDOESENDGQTQ-NZSAHSFTSA-N 2 0 346.515 3.110 20 0 EGADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422956875 309378065 /nfs/dbraw/zinc/37/80/65/309378065.db2.gz REACVWDTLHKVJR-XHSDSOJGSA-N 2 0 333.545 3.465 20 0 EGADRP O=C(C1CCC1)N(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000422959418 309378363 /nfs/dbraw/zinc/37/83/63/309378363.db2.gz RXJPUQONBWSTPW-XUVXKRRUSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422963255 309378550 /nfs/dbraw/zinc/37/85/50/309378550.db2.gz FJLNFSDVNLNKGQ-YYWHXJBOSA-N 2 0 340.511 3.337 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422967118 309378736 /nfs/dbraw/zinc/37/87/36/309378736.db2.gz SLKYRKDLNYAUAD-UXHICEINSA-N 2 0 326.488 3.363 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423002248 309380377 /nfs/dbraw/zinc/38/03/77/309380377.db2.gz JEYKRPNFUYSFQG-ZFMNYDKASA-N 3 0 329.532 3.265 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423008578 309380535 /nfs/dbraw/zinc/38/05/35/309380535.db2.gz AKUJBFJAKVXDGO-FIKGOQFSSA-N 2 0 326.484 3.422 20 0 EGADRP CCN1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012905 309380895 /nfs/dbraw/zinc/38/08/95/309380895.db2.gz DZVIYCMCGHFUMR-OAUYIBNBSA-N 2 0 327.875 3.331 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000423013636 309381025 /nfs/dbraw/zinc/38/10/25/309381025.db2.gz NCGWTZHFVOGUOB-MDNKFWRPSA-N 2 0 341.499 3.385 20 0 EGADRP COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423019237 309381226 /nfs/dbraw/zinc/38/12/26/309381226.db2.gz UUKVWADFMSIDTN-XBHMSOGKSA-N 2 0 343.471 3.284 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423029041 309381727 /nfs/dbraw/zinc/38/17/27/309381727.db2.gz HMHLZEBGGVGIEY-AYWYSENESA-N 3 0 329.532 3.394 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423029044 309381862 /nfs/dbraw/zinc/38/18/62/309381862.db2.gz HMHLZEBGGVGIEY-GFOJFJKKSA-N 3 0 329.532 3.394 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423030807 309382072 /nfs/dbraw/zinc/38/20/72/309382072.db2.gz WIWCHEIEKRCLOE-MYLCLEHYSA-N 2 0 327.875 3.187 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423034727 309382287 /nfs/dbraw/zinc/38/22/87/309382287.db2.gz QKNJWZQQVYYIHX-ZTRFORPCSA-N 2 0 330.472 3.037 20 0 EGADRP CN(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423047232 309382737 /nfs/dbraw/zinc/38/27/37/309382737.db2.gz GVRRHCFHUJLZKW-BHYGNILZSA-N 2 0 343.437 3.415 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)[C@@H]1CC[NH2+]C1 ZINC000423050052 309383105 /nfs/dbraw/zinc/38/31/05/309383105.db2.gz LDWQJZNSYFHRQH-NVXWUHKLSA-N 2 0 328.431 3.492 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(OC)c(OC)c1 ZINC000423052301 309383173 /nfs/dbraw/zinc/38/31/73/309383173.db2.gz QFRLMECTZUOHHD-DOTOQJQBSA-N 2 0 334.504 3.479 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423070678 309384307 /nfs/dbraw/zinc/38/43/07/309384307.db2.gz DEFPUCQNHLPJOH-LIVBEALHSA-N 2 0 325.456 3.277 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423069669 309384340 /nfs/dbraw/zinc/38/43/40/309384340.db2.gz BMGSDQQBXGBMMB-TTYHFUOFSA-N 2 0 334.479 3.192 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423083389 309384930 /nfs/dbraw/zinc/38/49/30/309384930.db2.gz FZCVSNZKWLUROY-NYVOZVTQSA-N 2 0 337.511 3.057 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423091603 309385338 /nfs/dbraw/zinc/38/53/38/309385338.db2.gz XXNYXLDYXYPEAN-FOXKFOACSA-N 2 0 338.495 3.091 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC(c2ccccc2)C1 ZINC000423088911 309385409 /nfs/dbraw/zinc/38/54/09/309385409.db2.gz RGHFLVZMDFISPN-QETREINWSA-N 2 0 342.527 3.443 20 0 EGADRP C[C@@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)C1C[NH2+]C1 ZINC000423106138 309386218 /nfs/dbraw/zinc/38/62/18/309386218.db2.gz OJVSBRWECMHCIX-PXAZEXFGSA-N 2 0 342.405 3.371 20 0 EGADRP COCC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000423116011 309386712 /nfs/dbraw/zinc/38/67/12/309386712.db2.gz OOZVYPOCYIYYRR-XKGZKEIXSA-N 2 0 332.488 3.283 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423124611 309387052 /nfs/dbraw/zinc/38/70/52/309387052.db2.gz OVTJGHRQCCTMLG-BXUZGUMPSA-N 2 0 336.277 3.190 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423131115 309387439 /nfs/dbraw/zinc/38/74/39/309387439.db2.gz ZEWYTYGOJPQGPK-VQIMIIECSA-N 2 0 330.520 3.391 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(Cl)c1OC ZINC000423140124 309388031 /nfs/dbraw/zinc/38/80/31/309388031.db2.gz XKDYJTKZORFQIW-UONOGXRCSA-N 2 0 326.868 3.149 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000423148105 309388358 /nfs/dbraw/zinc/38/83/58/309388358.db2.gz UIMKIRPEMHECPU-YSIASYRMSA-N 2 0 328.500 3.082 20 0 EGADRP Cc1cccnc1CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423157526 309388693 /nfs/dbraw/zinc/38/86/93/309388693.db2.gz VMEMCKJNZUHPOC-CTNGQTDRSA-N 2 0 337.467 3.168 20 0 EGADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423157375 309388778 /nfs/dbraw/zinc/38/87/78/309388778.db2.gz ARQHJECUVYUWQU-MDOVXXIYSA-N 2 0 330.447 3.313 20 0 EGADRP C[NH2+]CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423199657 309390075 /nfs/dbraw/zinc/39/00/75/309390075.db2.gz KITIQSWNVBCKSN-OAHLLOKOSA-N 2 0 331.485 3.395 20 0 EGADRP C[NH2+]CCC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423200521 309390368 /nfs/dbraw/zinc/39/03/68/309390368.db2.gz MHSTVNXNRUOYEQ-HZMBPMFUSA-N 2 0 329.307 3.431 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423212353 309390687 /nfs/dbraw/zinc/39/06/87/309390687.db2.gz IGHCEOFKWVQRCZ-DYEKYZERSA-N 2 0 343.284 3.497 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221467 309391240 /nfs/dbraw/zinc/39/12/40/309391240.db2.gz ZWWITNXWDUXYGN-ZUZCIYMTSA-N 2 0 327.241 3.165 20 0 EGADRP COC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423260286 309392783 /nfs/dbraw/zinc/39/27/83/309392783.db2.gz PWCCVVZVYGJFPQ-BBRMVZONSA-N 2 0 330.394 3.372 20 0 EGADRP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423284084 309393948 /nfs/dbraw/zinc/39/39/48/309393948.db2.gz XPVKZYHOBSPNPJ-XRXFAXGQSA-N 3 0 329.532 3.250 20 0 EGADRP COc1ccc(C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c2ccc(OC)cc2)cc1 ZINC000423294080 309394238 /nfs/dbraw/zinc/39/42/38/309394238.db2.gz BGDLSVASSSZIKI-MGPUTAFESA-N 2 0 328.456 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423312453 309394752 /nfs/dbraw/zinc/39/47/52/309394752.db2.gz RXHHIGLQDSKUMF-INIZCTEOSA-N 2 0 339.483 3.478 20 0 EGADRP [NH3+]CCCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423315063 309394789 /nfs/dbraw/zinc/39/47/89/309394789.db2.gz AJCBNDQUPOJRQI-INIZCTEOSA-N 2 0 341.293 3.245 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423322344 309395242 /nfs/dbraw/zinc/39/52/42/309395242.db2.gz GYNWZLCGLXWPLE-HKUYNNGSSA-N 2 0 345.531 3.483 20 0 EGADRP COC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423327001 309395272 /nfs/dbraw/zinc/39/52/72/309395272.db2.gz KXTGCIHRRWKCHW-OAHLLOKOSA-N 2 0 330.394 3.372 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423337651 309395945 /nfs/dbraw/zinc/39/59/45/309395945.db2.gz RGEJMFWKIXUPRX-UWVAXJGDSA-N 2 0 345.531 3.154 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000423340441 309396066 /nfs/dbraw/zinc/39/60/66/309396066.db2.gz JQHDZAWAASEMOO-HNAYVOBHSA-N 2 0 325.456 3.047 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])C1CCC1)C1CCCCC1 ZINC000423345636 309396427 /nfs/dbraw/zinc/39/64/27/309396427.db2.gz FZFOHLIWSZINTF-FQEVSTJZSA-N 2 0 343.515 3.195 20 0 EGADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000423353855 309396576 /nfs/dbraw/zinc/39/65/76/309396576.db2.gz DYNYJRMWTDOVLK-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000423358909 309396818 /nfs/dbraw/zinc/39/68/18/309396818.db2.gz UOJVPSHMZDGAOV-APWZRJJASA-N 2 0 329.488 3.042 20 0 EGADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000423367084 309397439 /nfs/dbraw/zinc/39/74/39/309397439.db2.gz YORNIVJEMVXPMW-LPHOPBHVSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(N2CCCC2=O)c1 ZINC000423370831 309397563 /nfs/dbraw/zinc/39/75/63/309397563.db2.gz FYADLPRUHYFGLH-HNNXBMFYSA-N 2 0 335.451 3.267 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000423371689 309397571 /nfs/dbraw/zinc/39/75/71/309397571.db2.gz AQBCNNODXUHPSC-HUUCEWRRSA-N 2 0 349.828 3.217 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000423398875 309398504 /nfs/dbraw/zinc/39/85/04/309398504.db2.gz DKRNNBRNFNSVAJ-OAHLLOKOSA-N 2 0 345.512 3.477 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2CC[NH2+]C)C1 ZINC000423403455 309398789 /nfs/dbraw/zinc/39/87/89/309398789.db2.gz HRWWALFKIAWDJN-KRWDZBQOSA-N 2 0 345.531 3.079 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)CC[NH2+]CC1 ZINC000423408070 309398845 /nfs/dbraw/zinc/39/88/45/309398845.db2.gz OAXPFVXHRFQWEA-CQSZACIVSA-N 2 0 332.444 3.108 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)[C@H](C)C1 ZINC000423418046 309399387 /nfs/dbraw/zinc/39/93/87/309399387.db2.gz UBPHWFRTOLSEHA-YLJYHZDGSA-N 2 0 345.531 3.271 20 0 EGADRP COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000423438280 309400392 /nfs/dbraw/zinc/40/03/92/309400392.db2.gz NBKGVAYRNNQCNO-DIOULYMOSA-N 2 0 338.879 3.396 20 0 EGADRP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423447217 309400779 /nfs/dbraw/zinc/40/07/79/309400779.db2.gz TXYSYIHDKVERIL-RRQGHBQHSA-N 2 0 339.405 3.456 20 0 EGADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000423503832 309403387 /nfs/dbraw/zinc/40/33/87/309403387.db2.gz GHQHKKCSHIMXAB-YOEHRIQHSA-N 2 0 339.439 3.148 20 0 EGADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423517089 309404246 /nfs/dbraw/zinc/40/42/46/309404246.db2.gz YNYFSUGBWJIXHK-PXNSSMCTSA-N 2 0 339.483 3.498 20 0 EGADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423608502 309407508 /nfs/dbraw/zinc/40/75/08/309407508.db2.gz JXAPLUDSLJVDOK-FOIQADDNSA-N 2 0 337.467 3.055 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423791219 309412965 /nfs/dbraw/zinc/41/29/65/309412965.db2.gz HFHZAMBWWRQRHK-PMACEKPBSA-N 2 0 349.563 3.399 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424279393 309436118 /nfs/dbraw/zinc/43/61/18/309436118.db2.gz FXNCWZVOMFBSEZ-HIFRSBDPSA-N 2 0 328.884 3.356 20 0 EGADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)s1 ZINC000433159132 309680368 /nfs/dbraw/zinc/68/03/68/309680368.db2.gz CPJGMPFRSHYNHE-CYBMUJFWSA-N 2 0 343.924 3.172 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[NH2+][C@H](C)c1ccccc1 ZINC000444166825 309915142 /nfs/dbraw/zinc/91/51/42/309915142.db2.gz LGMBQADKAOYLEE-KPFFTGBYSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447600915 309984038 /nfs/dbraw/zinc/98/40/38/309984038.db2.gz NPBVQXUYADMVOJ-AWEZNQCLSA-N 2 0 333.501 3.347 20 0 EGADRP COCCC[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449110065 310037873 /nfs/dbraw/zinc/03/78/73/310037873.db2.gz AOTPKLHRIJPZFR-UHFFFAOYSA-N 2 0 338.536 3.347 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000449127776 310038860 /nfs/dbraw/zinc/03/88/60/310038860.db2.gz XKTXJRBXOUHSNX-IMFGXOCKSA-N 2 0 349.950 3.277 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449163356 310041389 /nfs/dbraw/zinc/04/13/89/310041389.db2.gz LYPRGURFBKEAGC-WMZOPIPTSA-N 2 0 336.907 3.098 20 0 EGADRP C[C@@H]1CSC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000449199316 310044007 /nfs/dbraw/zinc/04/40/07/310044007.db2.gz BUZWIOWZSRSDDG-VQIMIIECSA-N 2 0 334.529 3.045 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(Br)c1F ZINC000449219307 310045458 /nfs/dbraw/zinc/04/54/58/310045458.db2.gz CVWJBAYSPDUZFH-ZDUSSCGKSA-N 2 0 347.272 3.035 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc3ccoc32)ccn1 ZINC000449220489 310045657 /nfs/dbraw/zinc/04/56/57/310045657.db2.gz HCENRMRYFRFDHG-UHFFFAOYSA-N 2 0 325.412 3.058 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]([C@H](CO)C3CC3)C3CC3)CC2)C1 ZINC000449505544 310067683 /nfs/dbraw/zinc/06/76/83/310067683.db2.gz JXMUTUZMJXPLSF-QAJUQPOASA-N 2 0 334.548 3.416 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000449526489 310069085 /nfs/dbraw/zinc/06/90/85/310069085.db2.gz DYVYTZGAYKOUFH-UHFFFAOYSA-N 2 0 332.467 3.281 20 0 EGADRP Cn1nccc1[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000449596151 310074603 /nfs/dbraw/zinc/07/46/03/310074603.db2.gz WXOQASODVKNDDA-PXNSSMCTSA-N 2 0 346.519 3.027 20 0 EGADRP CN(c1ccccc1C[NH2+]CCC[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000449678369 310080437 /nfs/dbraw/zinc/08/04/37/310080437.db2.gz AVBYDMGHCLEEHS-GOSISDBHSA-N 2 0 345.531 3.123 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC(OCC[NH+](C)C)CC3)c2c1 ZINC000450328078 310115696 /nfs/dbraw/zinc/11/56/96/310115696.db2.gz GICCKPLWGHMCMW-UHFFFAOYSA-N 2 0 327.472 3.344 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000450339728 310116438 /nfs/dbraw/zinc/11/64/38/310116438.db2.gz RSJIPOSUWNFMQJ-UHFFFAOYSA-N 2 0 341.499 3.470 20 0 EGADRP C[C@@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450638215 310134257 /nfs/dbraw/zinc/13/42/57/310134257.db2.gz BLOMKOQHCHSJCH-CYJPLVAVSA-N 2 0 345.575 3.161 20 0 EGADRP c1cnn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453062402 310255351 /nfs/dbraw/zinc/25/53/51/310255351.db2.gz DOYXNERHHNCYNY-QHAWAJNXSA-N 2 0 338.499 3.306 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453070928 310255972 /nfs/dbraw/zinc/25/59/72/310255972.db2.gz PYKUEEGRMGKFCO-JSXRDJHFSA-N 2 0 328.500 3.446 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000453197567 310263508 /nfs/dbraw/zinc/26/35/08/310263508.db2.gz NEVGIHOXPKVPBS-NHCUHLMSSA-N 2 0 339.483 3.279 20 0 EGADRP OC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453217840 310264693 /nfs/dbraw/zinc/26/46/93/310264693.db2.gz UWQHAGHNPHYLOF-AQNXPRMDSA-N 2 0 328.500 3.324 20 0 EGADRP COc1nccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000453259812 310267345 /nfs/dbraw/zinc/26/73/45/310267345.db2.gz PCHOQAOCUCQFTP-UHFFFAOYSA-N 2 0 340.471 3.018 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@H](C)C1 ZINC000453297661 310269749 /nfs/dbraw/zinc/26/97/49/310269749.db2.gz VEMBLAOPXDRCKP-MSOLQXFVSA-N 2 0 333.520 3.086 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000453423537 310276411 /nfs/dbraw/zinc/27/64/11/310276411.db2.gz NGQRZXGONZZTRA-SJORKVTESA-N 2 0 334.504 3.483 20 0 EGADRP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455898961 310381579 /nfs/dbraw/zinc/38/15/79/310381579.db2.gz FEPWJEAVZNIFEK-GOSISDBHSA-N 2 0 332.492 3.039 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455933210 310382654 /nfs/dbraw/zinc/38/26/54/310382654.db2.gz QLTYFQNQVSQWAF-RDTXWAMCSA-N 2 0 332.492 3.087 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1C ZINC000455945511 310383064 /nfs/dbraw/zinc/38/30/64/310383064.db2.gz WCWADIWORZIBCI-BJZITVGISA-N 2 0 344.503 3.182 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC000468050433 310681507 /nfs/dbraw/zinc/68/15/07/310681507.db2.gz YJEXWMSXQQBNHE-QAPCUYQASA-N 2 0 348.560 3.164 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487190835 311014801 /nfs/dbraw/zinc/01/48/01/311014801.db2.gz BOMNBHRDQVCIOB-VDGAXYAQSA-N 2 0 343.515 3.201 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+](C(C)C)C(C)C)CC1 ZINC000492973019 311313187 /nfs/dbraw/zinc/31/31/87/311313187.db2.gz PDPJSTKGJGRALX-UHFFFAOYSA-N 2 0 345.531 3.194 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000493970933 311448605 /nfs/dbraw/zinc/44/86/05/311448605.db2.gz VCIJDFXLEZQGPX-LJQANCHMSA-N 2 0 340.467 3.110 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000494361355 311472378 /nfs/dbraw/zinc/47/23/78/311472378.db2.gz BOFUQUVGEZTQEN-GJZGRUSLSA-N 2 0 339.524 3.142 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000506263065 312045891 /nfs/dbraw/zinc/04/58/91/312045891.db2.gz HWJIYHZBYZLUDP-PZJWPPBQSA-N 2 0 345.531 3.324 20 0 EGADRP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000507494618 312074981 /nfs/dbraw/zinc/07/49/81/312074981.db2.gz KDXDMSUQOZXFGG-QGZVFWFLSA-N 2 0 347.469 3.257 20 0 EGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000510667556 312145663 /nfs/dbraw/zinc/14/56/63/312145663.db2.gz PUUIIYOWXQEXNI-KRWDZBQOSA-N 2 0 342.483 3.444 20 0 EGADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512665912 312191396 /nfs/dbraw/zinc/19/13/96/312191396.db2.gz IAXGUWCWENBJCF-AYZHRIAMSA-N 2 0 330.516 3.284 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000514107861 312225044 /nfs/dbraw/zinc/22/50/44/312225044.db2.gz RBQRPGGQPISZCH-QGZVFWFLSA-N 2 0 343.506 3.302 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000514667045 312237412 /nfs/dbraw/zinc/23/74/12/312237412.db2.gz JHMSTVDKCSLTES-INIZCTEOSA-N 2 0 325.294 3.284 20 0 EGADRP COc1ccc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c(F)c1 ZINC000515304886 312275566 /nfs/dbraw/zinc/27/55/66/312275566.db2.gz BRHQHGQHSUWXRI-UHFFFAOYSA-N 2 0 346.446 3.107 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000516829588 312343638 /nfs/dbraw/zinc/34/36/38/312343638.db2.gz LOXBBZGGTCOLQM-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP COc1cccc(C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C2CC2)c1 ZINC000517265544 312372531 /nfs/dbraw/zinc/37/25/31/312372531.db2.gz JXXXVNMFBIFSSW-LJQANCHMSA-N 2 0 348.556 3.433 20 0 EGADRP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000527676655 312908379 /nfs/dbraw/zinc/90/83/79/312908379.db2.gz UHEHFTNATFFNMS-CVEARBPZSA-N 2 0 332.479 3.415 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCC23CCCC3)c2ccccc2)CC1 ZINC000530545838 313553025 /nfs/dbraw/zinc/55/30/25/313553025.db2.gz OBBVYUKOLPDHOV-WOJBJXKFSA-N 2 0 327.516 3.288 20 0 EGADRP Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000532250020 313775000 /nfs/dbraw/zinc/77/50/00/313775000.db2.gz NPZXQIKBOJAHBM-UTKZUKDTSA-N 2 0 342.483 3.320 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccco2)CC1 ZINC000532647683 313825427 /nfs/dbraw/zinc/82/54/27/313825427.db2.gz HMBCBMUFLKXJFK-FUHIMQAGSA-N 2 0 334.504 3.063 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000533785418 313933483 /nfs/dbraw/zinc/93/34/83/313933483.db2.gz MSFLOIPACHGRDY-IRXDYDNUSA-N 2 0 335.561 3.333 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000537095598 314161173 /nfs/dbraw/zinc/16/11/73/314161173.db2.gz GUNKOHYENQCAKY-JENIJYKNSA-N 2 0 326.488 3.371 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537939228 314218258 /nfs/dbraw/zinc/21/82/58/314218258.db2.gz IIZNNKKMQOXRFM-QCFAMHMHSA-N 3 0 329.532 3.217 20 0 EGADRP CC[NH+]1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000538196646 314231791 /nfs/dbraw/zinc/23/17/91/314231791.db2.gz TZZAQSOFONZSNI-UYAOXDASSA-N 3 0 329.532 3.361 20 0 EGADRP C[NH+](C)CCOc1cccc(NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000548716965 315038804 /nfs/dbraw/zinc/03/88/04/315038804.db2.gz QOTBRKBEHJPTGB-UHFFFAOYSA-N 2 0 347.503 3.220 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1F ZINC000548720848 315039186 /nfs/dbraw/zinc/03/91/86/315039186.db2.gz YEVSKWASPNWLSI-UHFFFAOYSA-N 2 0 349.494 3.158 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000550835859 315136134 /nfs/dbraw/zinc/13/61/34/315136134.db2.gz MIOYHMJEHBVHOJ-ZIFCJYIRSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098651 315197717 /nfs/dbraw/zinc/19/77/17/315197717.db2.gz KQNYLTFASRUXID-JBACZVJFSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552406594 315218483 /nfs/dbraw/zinc/21/84/83/315218483.db2.gz FHQKPIIALQCWEE-RQSWOZRGSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+]1CC(C)C1 ZINC000552979882 315239307 /nfs/dbraw/zinc/23/93/07/315239307.db2.gz DYTSOLBVCDWLNU-ROUUACIJSA-N 2 0 343.515 3.017 20 0 EGADRP CCC[N@H+](C)[C@@H](CNC(=O)C[NH+](C)C(C)C)c1ccc(Cl)cc1 ZINC000553016665 315241822 /nfs/dbraw/zinc/24/18/22/315241822.db2.gz CXWSOYDWMGQZFE-KRWDZBQOSA-N 2 0 339.911 3.179 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554083514 315297077 /nfs/dbraw/zinc/29/70/77/315297077.db2.gz UQNHIDISNGIHMO-RTWAWAEBSA-N 2 0 328.500 3.482 20 0 EGADRP COc1ccc2nc(CN3CCC[C@H]4C[N@H+](C)CC[C@H]43)sc2c1 ZINC000554886449 315354565 /nfs/dbraw/zinc/35/45/65/315354565.db2.gz KUZFECNSXKCKRW-XJKSGUPXSA-N 2 0 331.485 3.221 20 0 EGADRP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000560528836 315703537 /nfs/dbraw/zinc/70/35/37/315703537.db2.gz RZLHZWVAPGIFCY-OALUTQOASA-N 2 0 331.548 3.419 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000562986888 315935544 /nfs/dbraw/zinc/93/55/44/315935544.db2.gz CPXUFQBMPHXHTH-MBOZVWFJSA-N 2 0 336.495 3.077 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000563832330 316077004 /nfs/dbraw/zinc/07/70/04/316077004.db2.gz BKXUPXNUKITUAV-GOSISDBHSA-N 2 0 345.874 3.453 20 0 EGADRP Fc1ccc([C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1F ZINC000563891403 316087343 /nfs/dbraw/zinc/08/73/43/316087343.db2.gz DTSIVOSGJMPQAI-FQEVSTJZSA-N 2 0 344.405 3.184 20 0 EGADRP O=C(Nc1ccn2ccnc2c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000564377312 316144328 /nfs/dbraw/zinc/14/43/28/316144328.db2.gz FZQNNMVMKDFAAH-SFHVURJKSA-N 2 0 349.438 3.120 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc21 ZINC000565039821 316254237 /nfs/dbraw/zinc/25/42/37/316254237.db2.gz BKYRDLHPUDCYHQ-SJLPKXTDSA-N 2 0 342.487 3.049 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000565770159 316367803 /nfs/dbraw/zinc/36/78/03/316367803.db2.gz HHFSVZRIUWYHJP-TZMCWYRMSA-N 2 0 343.393 3.106 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000567683085 316653322 /nfs/dbraw/zinc/65/33/22/316653322.db2.gz GYJXCNDRZHGXST-OAQYLSRUSA-N 2 0 348.531 3.184 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000570088587 317005650 /nfs/dbraw/zinc/00/56/50/317005650.db2.gz JWTDDRGBXHXGJB-CVEARBPZSA-N 2 0 339.911 3.083 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000570088229 317005772 /nfs/dbraw/zinc/00/57/72/317005772.db2.gz CEHZDOLLBOTDFD-SCLBCKFNSA-N 2 0 345.874 3.392 20 0 EGADRP CC(C)c1nc(N2C[C@H](N3CCOCC3)C[C@@H]2C)cc(C(C)(C)C)n1 ZINC000570232932 317025855 /nfs/dbraw/zinc/02/58/55/317025855.db2.gz GWTAYYDFFXIQBJ-JKSUJKDBSA-N 2 0 346.519 3.197 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000570918500 317126282 /nfs/dbraw/zinc/12/62/82/317126282.db2.gz RWNALQBVYQTBFL-UFYCRDLUSA-N 2 0 345.531 3.472 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000571443434 317200075 /nfs/dbraw/zinc/20/00/75/317200075.db2.gz IFZHBTQBVLNKKR-HNNXBMFYSA-N 2 0 328.456 3.192 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000571443435 317200259 /nfs/dbraw/zinc/20/02/59/317200259.db2.gz IFZHBTQBVLNKKR-OAHLLOKOSA-N 2 0 328.456 3.192 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000571526899 317212573 /nfs/dbraw/zinc/21/25/73/317212573.db2.gz NDSYIWIKNRWPIC-YJBOKZPZSA-N 2 0 349.544 3.102 20 0 EGADRP [NH3+]CCC1CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000571811938 317251272 /nfs/dbraw/zinc/25/12/72/317251272.db2.gz UFRKQOIMAZQWNB-HXUWFJFHSA-N 2 0 337.467 3.427 20 0 EGADRP C[C@@H]1C[C@@H](N(C)Cc2ncccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000572407679 317334109 /nfs/dbraw/zinc/33/41/09/317334109.db2.gz DBLBYHNPEAFOHT-AEFFLSMTSA-N 2 0 325.456 3.272 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000269120719 455793044 /nfs/dbraw/zinc/79/30/44/455793044.db2.gz XMIBTRUHICPMDE-GOEBONIOSA-N 2 0 340.533 3.425 20 0 EGADRP c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc2c1CCC2 ZINC000173956612 323299813 /nfs/dbraw/zinc/29/98/13/323299813.db2.gz GPCBVQFMZNWAIL-UHFFFAOYSA-N 2 0 328.500 3.252 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000177902059 323347993 /nfs/dbraw/zinc/34/79/93/323347993.db2.gz VLGQSQYHWCALLZ-WWGRRREGSA-N 2 0 330.394 3.403 20 0 EGADRP COC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000384179850 324259496 /nfs/dbraw/zinc/25/94/96/324259496.db2.gz ZBKQJPYTMRQUCU-XUVXKRRUSA-N 2 0 328.500 3.446 20 0 EGADRP C[NH+](C)CCOc1cccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000392967631 324290292 /nfs/dbraw/zinc/29/02/92/324290292.db2.gz LIWDXMCKKGHIFT-IBGZPJMESA-N 2 0 341.455 3.046 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCCCC[NH2+]3)c2)CC1 ZINC000576706694 324667453 /nfs/dbraw/zinc/66/74/53/324667453.db2.gz VCYFQUCJKZUERF-HXUWFJFHSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000578752045 325012973 /nfs/dbraw/zinc/01/29/73/325012973.db2.gz CMPIQRDPVVITHI-HXUWFJFHSA-N 2 0 339.483 3.151 20 0 EGADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000579254484 325085100 /nfs/dbraw/zinc/08/51/00/325085100.db2.gz KZBAOYYEGZAREC-PXNSSMCTSA-N 2 0 326.484 3.109 20 0 EGADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC1CCCC1 ZINC000580049632 325195966 /nfs/dbraw/zinc/19/59/66/325195966.db2.gz GRLOPKOAINWSHR-NVXWUHKLSA-N 2 0 332.488 3.494 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580740233 325290616 /nfs/dbraw/zinc/29/06/16/325290616.db2.gz IIMLZCBGMJXZDE-GOSISDBHSA-N 2 0 339.483 3.407 20 0 EGADRP Cc1ncc2c(n1)CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000580760451 325292574 /nfs/dbraw/zinc/29/25/74/325292574.db2.gz PQWNYCMHOYMRAR-UHFFFAOYSA-N 2 0 336.483 3.329 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000580784405 325295589 /nfs/dbraw/zinc/29/55/89/325295589.db2.gz VEPIYHAOCPEHDY-MWNCTCPHSA-N 2 0 341.293 3.385 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000581368557 325355798 /nfs/dbraw/zinc/35/57/98/325355798.db2.gz OVVZVRLQNMCQOF-GOSISDBHSA-N 2 0 331.504 3.288 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000581696549 325382975 /nfs/dbraw/zinc/38/29/75/325382975.db2.gz PXIMPWUNAQFMQT-ZIBCJSCZSA-N 2 0 329.532 3.215 20 0 EGADRP Cn1ccc([C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000583558970 325533862 /nfs/dbraw/zinc/53/38/62/325533862.db2.gz CXUPMQBMMRYJEL-FDQGKXFDSA-N 2 0 332.879 3.270 20 0 EGADRP [NH3+][C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000237889614 455230110 /nfs/dbraw/zinc/23/01/10/455230110.db2.gz WRRMSBIDOCSJSH-IRXDYDNUSA-N 2 0 343.496 3.091 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180736066 455236229 /nfs/dbraw/zinc/23/62/29/455236229.db2.gz OSQBMQZGJSKGBN-IRXDYDNUSA-N 2 0 343.515 3.280 20 0 EGADRP CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[NH+](CC)CC ZINC000469986932 458604616 /nfs/dbraw/zinc/60/46/16/458604616.db2.gz HYGAPYCZHPCKBW-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CN(CC[N@H+](C)[C@@H]1CCc2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000180965198 455269989 /nfs/dbraw/zinc/26/99/89/455269989.db2.gz NZNBOEKSZMHSFJ-LJQANCHMSA-N 2 0 335.923 3.285 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000631827446 460574776 /nfs/dbraw/zinc/57/47/76/460574776.db2.gz OOQXEVFJUSSPLF-IRXDYDNUSA-N 2 0 341.455 3.172 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCC2 ZINC000181524786 455349072 /nfs/dbraw/zinc/34/90/72/455349072.db2.gz SMQRQASUOJKXJA-MOPGFXCFSA-N 2 0 332.488 3.064 20 0 EGADRP Clc1cnccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000623564647 460615377 /nfs/dbraw/zinc/61/53/77/460615377.db2.gz MMLDCJLBRKSBRV-UHFFFAOYSA-N 2 0 330.863 3.132 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000067264983 453915235 /nfs/dbraw/zinc/91/52/35/453915235.db2.gz QYSSUESYWKSHMQ-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@H+](CCCOCC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109999 453965382 /nfs/dbraw/zinc/96/53/82/453965382.db2.gz WPQIGUOXUJWLTB-QGZVFWFLSA-N 2 0 344.421 3.409 20 0 EGADRP CC[N@H+](CCCc1cnn(C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155044 453972311 /nfs/dbraw/zinc/97/23/11/453972311.db2.gz GGRRPXCCKAKANV-OAQYLSRUSA-N 2 0 340.515 3.197 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)o1 ZINC000041799901 453979359 /nfs/dbraw/zinc/97/93/59/453979359.db2.gz IQMVPRYCSSAQLT-UHFFFAOYSA-N 2 0 335.492 3.117 20 0 EGADRP Cc1ccccc1CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000084677339 454005394 /nfs/dbraw/zinc/00/53/94/454005394.db2.gz XLVGQRIQVYDNFN-OYRHEFFESA-N 2 0 343.559 3.418 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000089124567 454123746 /nfs/dbraw/zinc/12/37/46/454123746.db2.gz UMLLPKUIKOACKJ-UHFFFAOYSA-N 2 0 336.451 3.165 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000057893866 454155474 /nfs/dbraw/zinc/15/54/74/454155474.db2.gz DVKPPJFGKLKALN-WMZOPIPTSA-N 2 0 345.512 3.160 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888651 454155605 /nfs/dbraw/zinc/15/56/05/454155605.db2.gz FGMUMMBRKAHFPL-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089512849 454157561 /nfs/dbraw/zinc/15/75/61/454157561.db2.gz JURNJAVYXUONJP-INIZCTEOSA-N 2 0 345.531 3.279 20 0 EGADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130481558 454200521 /nfs/dbraw/zinc/20/05/21/454200521.db2.gz GLFJRZAONJBAKK-OALUTQOASA-N 2 0 330.520 3.138 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046007930 454205541 /nfs/dbraw/zinc/20/55/41/454205541.db2.gz MELMLTPSYSXBAU-KRWDZBQOSA-N 2 0 346.519 3.382 20 0 EGADRP FC(F)(F)CN1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000095967347 454242707 /nfs/dbraw/zinc/24/27/07/454242707.db2.gz JYMXEBWVVKVEJO-HNNXBMFYSA-N 2 0 347.469 3.257 20 0 EGADRP CCCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028656 454264593 /nfs/dbraw/zinc/26/45/93/454264593.db2.gz RJFUBJVRERUUNQ-KRWDZBQOSA-N 2 0 331.504 3.181 20 0 EGADRP C[C@H](CC1CCCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038811 454265877 /nfs/dbraw/zinc/26/58/77/454265877.db2.gz USRNBRHSWBIAQZ-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000120241541 454277303 /nfs/dbraw/zinc/27/73/03/454277303.db2.gz LVKZAWLBLQAICC-CJNGLKHVSA-N 2 0 337.305 3.411 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000120402251 454297779 /nfs/dbraw/zinc/29/77/79/454297779.db2.gz AOTGQIYTQCGUQI-OAQYLSRUSA-N 2 0 341.474 3.142 20 0 EGADRP C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)CC1CC[NH+](C)CC1 ZINC000132207686 454321350 /nfs/dbraw/zinc/32/13/50/454321350.db2.gz QZGAJEUWRRBRNM-UHFFFAOYSA-N 2 0 332.879 3.299 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000132585847 454349860 /nfs/dbraw/zinc/34/98/60/454349860.db2.gz OVLFAZWHPDFCTH-VXKWHMMOSA-N 2 0 343.559 3.178 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)ccn1 ZINC000090937305 454352790 /nfs/dbraw/zinc/35/27/90/454352790.db2.gz XSCXQTWXSYZUJW-QGZVFWFLSA-N 2 0 343.471 3.418 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000121172023 454401421 /nfs/dbraw/zinc/40/14/21/454401421.db2.gz UFHCVAYKYXVIDB-WMZOPIPTSA-N 2 0 333.545 3.087 20 0 EGADRP COc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C(C)C)cc1 ZINC000091285096 454422888 /nfs/dbraw/zinc/42/28/88/454422888.db2.gz KHQUROSKPYDMEF-HXUWFJFHSA-N 2 0 333.520 3.010 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000121373873 454427749 /nfs/dbraw/zinc/42/77/49/454427749.db2.gz QOFZBTWHOSSUIH-UGKGYDQZSA-N 2 0 343.559 3.179 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000063665554 454434747 /nfs/dbraw/zinc/43/47/47/454434747.db2.gz MTPPGBOMWRJFNW-SFHVURJKSA-N 2 0 343.515 3.277 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000048119952 454445240 /nfs/dbraw/zinc/44/52/40/454445240.db2.gz FFSVNEXPRWQQCI-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000091686666 454457920 /nfs/dbraw/zinc/45/79/20/454457920.db2.gz PTHSUGJFUZRNPP-PBHICJAKSA-N 2 0 325.884 3.356 20 0 EGADRP CC(C)C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+](C)C ZINC000073621039 454459309 /nfs/dbraw/zinc/45/93/09/454459309.db2.gz OEUUWAPZHPEJGF-OAHLLOKOSA-N 2 0 345.487 3.201 20 0 EGADRP CCC[NH+]1CCC(NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000073649777 454463022 /nfs/dbraw/zinc/46/30/22/454463022.db2.gz RTJYGBOCGHWMNM-UHFFFAOYSA-N 2 0 345.531 3.125 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634979047 460639323 /nfs/dbraw/zinc/63/93/23/460639323.db2.gz UKCJOIKZCMNERE-LJQANCHMSA-N 2 0 332.451 3.242 20 0 EGADRP FC(F)CN1CCC([NH2+]C[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000134085046 454501356 /nfs/dbraw/zinc/50/13/56/454501356.db2.gz LRHAXWDUXJFJLG-GOSISDBHSA-N 2 0 337.458 3.143 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000048680969 454507155 /nfs/dbraw/zinc/50/71/55/454507155.db2.gz BAJLDSKCOZWBAV-UHFFFAOYSA-N 2 0 337.467 3.441 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1)C(C)C ZINC000073987690 454514325 /nfs/dbraw/zinc/51/43/25/454514325.db2.gz NGTNJUZIZZHFPR-UXHICEINSA-N 2 0 343.515 3.226 20 0 EGADRP CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000134563764 454560934 /nfs/dbraw/zinc/56/09/34/454560934.db2.gz ZEPSCSHKVKAXNJ-OAQYLSRUSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122711805 454561238 /nfs/dbraw/zinc/56/12/38/454561238.db2.gz RKAGHLDLIFYSKJ-HUFQQLBRSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000122792080 454569835 /nfs/dbraw/zinc/56/98/35/454569835.db2.gz KEVMTEGYVPVBIM-HOTGVXAUSA-N 2 0 339.524 3.285 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000191171329 455457257 /nfs/dbraw/zinc/45/72/57/455457257.db2.gz DFTVJYHLQMPYBV-CQSZACIVSA-N 2 0 329.941 3.470 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122910141 454581021 /nfs/dbraw/zinc/58/10/21/454581021.db2.gz FTQATQNSVVLSTP-WOJBJXKFSA-N 2 0 329.532 3.186 20 0 EGADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123101943 454603328 /nfs/dbraw/zinc/60/33/28/454603328.db2.gz FMJHUZSNGUISPG-MJGOQNOKSA-N 2 0 337.552 3.220 20 0 EGADRP Nc1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000634995630 460644850 /nfs/dbraw/zinc/64/48/50/460644850.db2.gz KXSWKENZEZAKIM-UTKZUKDTSA-N 2 0 336.483 3.295 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc2)cs1 ZINC000065981525 454646268 /nfs/dbraw/zinc/64/62/68/454646268.db2.gz KZHGXFUPHZSCSD-CQSZACIVSA-N 2 0 333.501 3.460 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000052208899 454661892 /nfs/dbraw/zinc/66/18/92/454661892.db2.gz QQXSBJZBMINWMW-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[NH+](C)C ZINC000106458836 454695422 /nfs/dbraw/zinc/69/54/22/454695422.db2.gz YAGPTGDUPMLUBP-IBGZPJMESA-N 2 0 331.504 3.443 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000161589227 454705743 /nfs/dbraw/zinc/70/57/43/454705743.db2.gz QGZFALBOQAYASX-KRWDZBQOSA-N 3 0 333.520 3.152 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152652115 454706158 /nfs/dbraw/zinc/70/61/58/454706158.db2.gz XZLFZFIRXVMOFG-CJNGLKHVSA-N 2 0 337.895 3.297 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008651 460652277 /nfs/dbraw/zinc/65/22/77/460652277.db2.gz GDEKNSVJYRCDQC-DYESRHJHSA-N 2 0 335.495 3.257 20 0 EGADRP Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000635008925 460652317 /nfs/dbraw/zinc/65/23/17/460652317.db2.gz WJGXCDYJBUWADH-PNPHSEOMSA-N 2 0 329.469 3.358 20 0 EGADRP CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000162810313 454801972 /nfs/dbraw/zinc/80/19/72/454801972.db2.gz WWVHRUGXFIWKEF-LTMIRXACSA-N 2 0 340.577 3.453 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000139074235 454801965 /nfs/dbraw/zinc/80/19/65/454801965.db2.gz GNXSHWJLZNPUMO-GOSISDBHSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000125314235 454813823 /nfs/dbraw/zinc/81/38/23/454813823.db2.gz HVJGWMKFIYCZFS-CQSZACIVSA-N 2 0 329.488 3.299 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000125370848 454817022 /nfs/dbraw/zinc/81/70/22/454817022.db2.gz DFYDMTWQZMEGHK-OAHLLOKOSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163112723 454823962 /nfs/dbraw/zinc/82/39/62/454823962.db2.gz NMTBAFDHJWPTID-SUNKGSAMSA-N 2 0 331.291 3.119 20 0 EGADRP Cc1ncsc1CC[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000177255986 454843198 /nfs/dbraw/zinc/84/31/98/454843198.db2.gz JCKXKNFBTXHKRO-UHFFFAOYSA-N 2 0 344.528 3.028 20 0 EGADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163587729 454856973 /nfs/dbraw/zinc/85/69/73/454856973.db2.gz YGHBFTUVMCZXCY-BEFAXECRSA-N 2 0 335.923 3.234 20 0 EGADRP C[C@@H]1C[C@@H](NCc2cccc(NC(=O)C3CCCC3)c2)CC[N@@H+]1C ZINC000126008121 454862965 /nfs/dbraw/zinc/86/29/65/454862965.db2.gz BPDPZQVZFBFZOR-QAPCUYQASA-N 2 0 329.488 3.388 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163852526 454867094 /nfs/dbraw/zinc/86/70/94/454867094.db2.gz GGCYWOMQTGSDTL-UXHICEINSA-N 2 0 343.515 3.196 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154356728 454888103 /nfs/dbraw/zinc/88/81/03/454888103.db2.gz YRCVZYSRHYEZMF-HNNXBMFYSA-N 2 0 338.565 3.253 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)n1 ZINC000150773319 454889640 /nfs/dbraw/zinc/88/96/40/454889640.db2.gz MQDUIHFSIGEPPO-HXUWFJFHSA-N 2 0 338.499 3.407 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154371538 454889818 /nfs/dbraw/zinc/88/98/18/454889818.db2.gz OBBPSGTUWSLPRA-QGZVFWFLSA-N 2 0 335.561 3.477 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777723 454890856 /nfs/dbraw/zinc/89/08/56/454890856.db2.gz VFTUFGKBESOFRM-ZWKOTPCHSA-N 2 0 329.488 3.048 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC1CCCC1 ZINC000165133414 454895401 /nfs/dbraw/zinc/89/54/01/454895401.db2.gz FVUCTQDELJYVGJ-QAPCUYQASA-N 2 0 332.488 3.446 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C[NH+]1CCCC1 ZINC000165326878 454899329 /nfs/dbraw/zinc/89/93/29/454899329.db2.gz SXFXRQNORKYESM-IRXDYDNUSA-N 2 0 329.488 3.196 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)N1CC[NH+](C)CC1 ZINC000126543573 454901304 /nfs/dbraw/zinc/90/13/04/454901304.db2.gz IGAVANFTAHAUQT-YJBOKZPZSA-N 2 0 346.544 3.219 20 0 EGADRP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000177890268 454916876 /nfs/dbraw/zinc/91/68/76/454916876.db2.gz WMNVCSLVSMSJRC-ZWOKBUDYSA-N 2 0 334.504 3.056 20 0 EGADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000177890315 454917007 /nfs/dbraw/zinc/91/70/07/454917007.db2.gz CCHWCABTVGBOFU-RCCFBDPRSA-N 2 0 334.504 3.201 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126779813 454917818 /nfs/dbraw/zinc/91/78/18/454917818.db2.gz CFYKILYZZYIVOB-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717218 454922720 /nfs/dbraw/zinc/92/27/20/454922720.db2.gz OHZHCMLDRHFZLG-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000182325973 455488833 /nfs/dbraw/zinc/48/88/33/455488833.db2.gz HGEDDOCMLAOBBQ-WOJBJXKFSA-N 2 0 333.495 3.065 20 0 EGADRP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000151020605 454926482 /nfs/dbraw/zinc/92/64/82/454926482.db2.gz QWDJIDVLYPCDOF-QFBILLFUSA-N 2 0 337.458 3.128 20 0 EGADRP C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000151031132 454927510 /nfs/dbraw/zinc/92/75/10/454927510.db2.gz WUTFJYADQNAJAY-INIZCTEOSA-N 2 0 326.440 3.240 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000151120040 454941304 /nfs/dbraw/zinc/94/13/04/454941304.db2.gz CRGOLICRHGGMCK-DLBZAZTESA-N 2 0 329.488 3.196 20 0 EGADRP CCOc1ncccc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151175484 454947708 /nfs/dbraw/zinc/94/77/08/454947708.db2.gz ICVKAQMBZAHKRN-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP CCCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000178906889 454989662 /nfs/dbraw/zinc/98/96/62/454989662.db2.gz MJEVGTKFWQCSQR-LJQANCHMSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1)N1CC[NH+](C)CC1 ZINC000127771809 454995999 /nfs/dbraw/zinc/99/59/99/454995999.db2.gz RILUVFBTPTXNQO-KGLIPLIRSA-N 2 0 343.487 3.288 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000128311117 455045230 /nfs/dbraw/zinc/04/52/30/455045230.db2.gz QQUOSUDSMLLCCE-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000155792088 455045963 /nfs/dbraw/zinc/04/59/63/455045963.db2.gz PIMPCIOVPBPXBK-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128419471 455055058 /nfs/dbraw/zinc/05/50/58/455055058.db2.gz GKWOJQJTFPLBRP-HXUWFJFHSA-N 2 0 335.511 3.010 20 0 EGADRP C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@H](C(F)(F)F)C3)nc2)CC1 ZINC000128543395 455066189 /nfs/dbraw/zinc/06/61/89/455066189.db2.gz CMTQRTRPEJJADB-KBPBESRZSA-N 2 0 342.409 3.366 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000155992802 455070195 /nfs/dbraw/zinc/07/01/95/455070195.db2.gz CCEDDUFLLIUVLV-GOSISDBHSA-N 2 0 343.471 3.154 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Br ZINC000623654554 460660966 /nfs/dbraw/zinc/66/09/66/460660966.db2.gz CJNILSIFEMLDPM-AWEZNQCLSA-N 2 0 341.293 3.279 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCCCCC1 ZINC000129000037 455094516 /nfs/dbraw/zinc/09/45/16/455094516.db2.gz GUZDBUKMXMTJEN-UHFFFAOYSA-N 2 0 335.536 3.166 20 0 EGADRP CCN(CC)C(=O)CCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000118973244 455119118 /nfs/dbraw/zinc/11/91/18/455119118.db2.gz CBOOSXCUWSJOKR-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc2nccn21 ZINC000180049647 455122978 /nfs/dbraw/zinc/12/29/78/455122978.db2.gz YGMRLBWJVACSRH-UHFFFAOYSA-N 2 0 336.439 3.058 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180110910 455133737 /nfs/dbraw/zinc/13/37/37/455133737.db2.gz ALQNCKGPRGIFJG-RXVVDRJESA-N 2 0 329.532 3.236 20 0 EGADRP C[C@H]1CCC[N@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000156670629 455143361 /nfs/dbraw/zinc/14/33/61/455143361.db2.gz XVDWKTNBJMIFTO-IBGZPJMESA-N 2 0 329.532 3.015 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](C)CCCc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000156970632 455159418 /nfs/dbraw/zinc/15/94/18/455159418.db2.gz NFJXHBXQAKRBPO-NQIIRXRSSA-N 2 0 340.515 3.338 20 0 EGADRP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000180362756 455161426 /nfs/dbraw/zinc/16/14/26/455161426.db2.gz HRGBUXOFYBBRMU-QGZVFWFLSA-N 2 0 348.450 3.182 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237557609 455194397 /nfs/dbraw/zinc/19/43/97/455194397.db2.gz JNNSIUIPUOFNQO-VAMGGRTRSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000182955182 455199233 /nfs/dbraw/zinc/19/92/33/455199233.db2.gz RFLAUBLFZMREAL-UHFFFAOYSA-N 2 0 337.511 3.423 20 0 EGADRP Fc1cccc(F)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182987345 455204630 /nfs/dbraw/zinc/20/46/30/455204630.db2.gz UWPNRTAUEOVOKK-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000237673535 455206128 /nfs/dbraw/zinc/20/61/28/455206128.db2.gz OFDBXRSOEUEZBP-KRWDZBQOSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cncn2C)C1 ZINC000237708583 455210040 /nfs/dbraw/zinc/21/00/40/455210040.db2.gz ZSLUAYIWBAPXML-IRXDYDNUSA-N 2 0 326.488 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183795027 455328581 /nfs/dbraw/zinc/32/85/81/455328581.db2.gz MBVZMWFXZKZROZ-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP Cc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000265493783 455334510 /nfs/dbraw/zinc/33/45/10/455334510.db2.gz LEXLDORPZIYNQU-INIZCTEOSA-N 2 0 325.456 3.456 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000245850463 455385538 /nfs/dbraw/zinc/38/55/38/455385538.db2.gz FWQMDDHJNAUDBL-KCUHQSDYSA-N 2 0 344.499 3.235 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000245904355 455396235 /nfs/dbraw/zinc/39/62/35/455396235.db2.gz FDHBZFQZANASLI-IOMROCGXSA-N 2 0 329.532 3.090 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000245936001 455403036 /nfs/dbraw/zinc/40/30/36/455403036.db2.gz JCGUMFGZXSQZQG-ZXTQRBJTSA-N 2 0 339.886 3.376 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000265915086 455405717 /nfs/dbraw/zinc/40/57/17/455405717.db2.gz AFJHOGNFGQRLPO-YLJYHZDGSA-N 2 0 345.531 3.331 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4occc43)cc2)CC1 ZINC000190937680 455409538 /nfs/dbraw/zinc/40/95/38/455409538.db2.gz FBTQVORCDZDKKM-FQEVSTJZSA-N 2 0 340.467 3.404 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000245989715 455410598 /nfs/dbraw/zinc/41/05/98/455410598.db2.gz QNPIHLBIRZJPER-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC2CCOCC2)CC1 ZINC000175665945 455480492 /nfs/dbraw/zinc/48/04/92/455480492.db2.gz JHVVYIPGGLTMBG-MRXNPFEDSA-N 2 0 349.494 3.045 20 0 EGADRP Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000267180163 455511997 /nfs/dbraw/zinc/51/19/97/455511997.db2.gz FEDNSIBPBKZIAV-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000246837308 455529436 /nfs/dbraw/zinc/52/94/36/455529436.db2.gz ASRVLQUWJNMUQD-HLAWJBBLSA-N 2 0 329.532 3.452 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@@H](C)C1 ZINC000246851650 455530509 /nfs/dbraw/zinc/53/05/09/455530509.db2.gz CBIIHKVJSIIOFP-KXBFYZLASA-N 2 0 326.488 3.309 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246889593 455533653 /nfs/dbraw/zinc/53/36/53/455533653.db2.gz DSUNOAMJWIFKFP-ARXXEPJESA-N 2 0 329.532 3.215 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000246952330 455538658 /nfs/dbraw/zinc/53/86/58/455538658.db2.gz IEUBVUSUNPYPSN-JRGCBEDISA-N 2 0 329.532 3.487 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000247038609 455549466 /nfs/dbraw/zinc/54/94/66/455549466.db2.gz LRMSVXMSXUYMIJ-MAUKXSAKSA-N 2 0 344.890 3.173 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000247051015 455551821 /nfs/dbraw/zinc/55/18/21/455551821.db2.gz OUTIOAMCMSDJPR-XJKSGUPXSA-N 2 0 341.293 3.148 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)[C@@H](C)C1 ZINC000247136950 455564593 /nfs/dbraw/zinc/56/45/93/455564593.db2.gz AXCLYWWUJPNTPV-WDSOQIARSA-N 2 0 333.495 3.423 20 0 EGADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000247177863 455569139 /nfs/dbraw/zinc/56/91/39/455569139.db2.gz VBMUHAPVMUYNML-FGTMMUONSA-N 2 0 341.503 3.286 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000247188180 455570613 /nfs/dbraw/zinc/57/06/13/455570613.db2.gz ZRCAKAMNYGLFRE-XJKSGUPXSA-N 2 0 330.394 3.404 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@@H+]1C1CC1 ZINC000267987091 455575662 /nfs/dbraw/zinc/57/56/62/455575662.db2.gz PMNHVRYJMMZTQJ-APWZRJJASA-N 2 0 341.499 3.028 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1sccc1C[NH+](C)C)c1ccco1 ZINC000268053877 455586063 /nfs/dbraw/zinc/58/60/63/455586063.db2.gz WWWOWHMYGLOSGE-HNNXBMFYSA-N 2 0 349.500 3.216 20 0 EGADRP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182785311 455586746 /nfs/dbraw/zinc/58/67/46/455586746.db2.gz NSDDVOUXJBUAEP-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000268091719 455590898 /nfs/dbraw/zinc/59/08/98/455590898.db2.gz IXEUZWWJORBVFZ-UHFFFAOYSA-N 2 0 337.533 3.194 20 0 EGADRP Cc1nccn1CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000284026095 455625749 /nfs/dbraw/zinc/62/57/49/455625749.db2.gz JBSGRQZYJCXXLX-UHFFFAOYSA-N 2 0 326.488 3.224 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000185873040 455640219 /nfs/dbraw/zinc/64/02/19/455640219.db2.gz NOMMYQKBRHWVFR-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000284244497 455656576 /nfs/dbraw/zinc/65/65/76/455656576.db2.gz VHBPZGHDSSLKHS-NHCUHLMSSA-N 2 0 340.515 3.062 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000271488852 455656745 /nfs/dbraw/zinc/65/67/45/455656745.db2.gz OQOKYQNNRWYGEI-KRWDZBQOSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000248035747 455672946 /nfs/dbraw/zinc/67/29/46/455672946.db2.gz ROLODIYZBGODOZ-OXJNMPFZSA-N 2 0 327.447 3.263 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000186186919 455712269 /nfs/dbraw/zinc/71/22/69/455712269.db2.gz ZQDDAXBTUGSXHD-FQEVSTJZSA-N 2 0 329.532 3.296 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@H]5CC[C@@H]4O5)[C@H]3C2)cc1 ZINC000248401959 455713698 /nfs/dbraw/zinc/71/36/98/455713698.db2.gz MNGBZGVUMXZYQD-FITZOCOBSA-N 2 0 326.484 3.197 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186297651 455737215 /nfs/dbraw/zinc/73/72/15/455737215.db2.gz AJWNNBDUFNXLEY-UHFFFAOYSA-N 2 0 332.488 3.495 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000249031967 455741844 /nfs/dbraw/zinc/74/18/44/455741844.db2.gz RKENWJBASJOQPS-QHAWAJNXSA-N 2 0 343.515 3.291 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186318703 455742061 /nfs/dbraw/zinc/74/20/61/455742061.db2.gz LEPHFNCOHBCJCF-HZPDHXFCSA-N 2 0 338.565 3.191 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271783565 455758615 /nfs/dbraw/zinc/75/86/15/455758615.db2.gz FBBAJIMNGQRLRN-UHFFFAOYSA-N 2 0 344.890 3.494 20 0 EGADRP C[C@H](CC[S@@](C)=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285007251 455775965 /nfs/dbraw/zinc/77/59/65/455775965.db2.gz GZSHFYCKDLGRDV-ANVCCXGISA-N 2 0 336.545 3.176 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000285032066 455780246 /nfs/dbraw/zinc/78/02/46/455780246.db2.gz HTKQBLOICFZZQK-JCYILVPMSA-N 2 0 344.421 3.333 20 0 EGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000186574089 455796617 /nfs/dbraw/zinc/79/66/17/455796617.db2.gz DYLLAMQNOFIDDX-NJDAHSKKSA-N 2 0 329.532 3.359 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000186573560 455797556 /nfs/dbraw/zinc/79/75/56/455797556.db2.gz PCYXGBRLGNQFJR-KSSFIOAISA-N 2 0 325.447 3.032 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000186581198 455797823 /nfs/dbraw/zinc/79/78/23/455797823.db2.gz YWLWXYAUGXEISF-KGLIPLIRSA-N 2 0 327.875 3.156 20 0 EGADRP COC[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000285234250 455809222 /nfs/dbraw/zinc/80/92/22/455809222.db2.gz PKEOAXKWLUCPFG-NSKBAKJYSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000278299294 455810417 /nfs/dbraw/zinc/81/04/17/455810417.db2.gz CKXZIKSDIBZGJD-FCEWJHQRSA-N 2 0 334.529 3.139 20 0 EGADRP CC(C)[NH+]1CCC(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186879002 455846665 /nfs/dbraw/zinc/84/66/65/455846665.db2.gz CXNBMELNJOPIKT-OAQYLSRUSA-N 2 0 329.532 3.359 20 0 EGADRP Fc1ccc(/C=C\C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000255307295 455864431 /nfs/dbraw/zinc/86/44/31/455864431.db2.gz MDCWPCPSIUDPLD-ARJAWSKDSA-N 2 0 332.463 3.416 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261575178 455908891 /nfs/dbraw/zinc/90/88/91/455908891.db2.gz NBYCZJJEMYWEIK-HXUWFJFHSA-N 2 0 343.515 3.065 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261575177 455909044 /nfs/dbraw/zinc/90/90/44/455909044.db2.gz NBYCZJJEMYWEIK-FQEVSTJZSA-N 2 0 343.515 3.065 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000272324517 455914019 /nfs/dbraw/zinc/91/40/19/455914019.db2.gz UYSYAEIVAQFECK-DFQSSKMNSA-N 2 0 345.531 3.134 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3occc3c2)C1 ZINC000285819599 455923321 /nfs/dbraw/zinc/92/33/21/455923321.db2.gz GSDCVPDDHMRGTN-HXUWFJFHSA-N 2 0 336.435 3.289 20 0 EGADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000280320047 455946389 /nfs/dbraw/zinc/94/63/89/455946389.db2.gz QGJMGHRXWPQLSL-CVEARBPZSA-N 2 0 342.405 3.387 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261887641 455966011 /nfs/dbraw/zinc/96/60/11/455966011.db2.gz VMIZXRLZIFZEOH-SJORKVTESA-N 2 0 329.488 3.389 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc(OC)c1OC ZINC000272498213 455971514 /nfs/dbraw/zinc/97/15/14/455971514.db2.gz DGRCCXHKNQJHGL-CQSZACIVSA-N 2 0 336.476 3.095 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000272508988 455975594 /nfs/dbraw/zinc/97/55/94/455975594.db2.gz MIKZUGXESZCJRM-UTKZUKDTSA-N 2 0 345.506 3.235 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000272511290 455977013 /nfs/dbraw/zinc/97/70/13/455977013.db2.gz GJHKSPZNIVITEO-NJDAHSKKSA-N 3 0 341.543 3.219 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188006890 455979453 /nfs/dbraw/zinc/97/94/53/455979453.db2.gz AKNHZPRLQLIPEZ-CLCXKQKWSA-N 2 0 335.923 3.016 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000270551122 455981526 /nfs/dbraw/zinc/98/15/26/455981526.db2.gz ZWVKHCAQHBOWME-NCYKPQTJSA-N 2 0 340.511 3.098 20 0 EGADRP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000262007334 455985053 /nfs/dbraw/zinc/98/50/53/455985053.db2.gz RYWZHUGRIRNCLW-IAGOWNOFSA-N 2 0 345.531 3.136 20 0 EGADRP Fc1ccc(Cn2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000262029415 455987876 /nfs/dbraw/zinc/98/78/76/455987876.db2.gz XAMCFUVXAOHXFY-FQEVSTJZSA-N 2 0 342.462 3.035 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1 ZINC000188060894 455990292 /nfs/dbraw/zinc/99/02/92/455990292.db2.gz ULFDGZVXVFWDOF-HNNXBMFYSA-N 2 0 341.455 3.043 20 0 EGADRP COc1ccc(C[N@H+](CC2CCC2)C[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000262072665 455993381 /nfs/dbraw/zinc/99/33/81/455993381.db2.gz SEMYJZHOMTZDHM-FQEVSTJZSA-N 2 0 332.488 3.306 20 0 EGADRP CC(C)(CCCO)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272571090 455997780 /nfs/dbraw/zinc/99/77/80/455997780.db2.gz PBMYXTFLHJGBIP-VAMGGRTRSA-N 2 0 330.516 3.285 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)CCC2)c1 ZINC000262132562 456001972 /nfs/dbraw/zinc/00/19/72/456001972.db2.gz OCDZYNWPLPOUCW-QFBILLFUSA-N 2 0 332.488 3.051 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000272612266 456014070 /nfs/dbraw/zinc/01/40/70/456014070.db2.gz ZMZHSKOJYZPKMV-GGPKGHCWSA-N 2 0 326.488 3.162 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000262327403 456025777 /nfs/dbraw/zinc/02/57/77/456025777.db2.gz XGXSOXNQXOPPHV-IXDOHACOSA-N 2 0 349.544 3.155 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c2C1 ZINC000262394335 456031892 /nfs/dbraw/zinc/03/18/92/456031892.db2.gz QCQHRPJNHVSMFO-HOTGVXAUSA-N 2 0 329.488 3.375 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000262719390 456055657 /nfs/dbraw/zinc/05/56/57/456055657.db2.gz YACWLSNJZKHLPS-LZLYRXPVSA-N 2 0 331.504 3.140 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccsc1 ZINC000296890448 456062099 /nfs/dbraw/zinc/06/20/99/456062099.db2.gz ONNRHTKGOVNIGI-GOSISDBHSA-N 2 0 345.512 3.280 20 0 EGADRP C[C@@H]([NH2+]CCCOC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272847194 456089026 /nfs/dbraw/zinc/08/90/26/456089026.db2.gz SFRPQAWMCCBQMX-QUCCMNQESA-N 2 0 346.515 3.072 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)c2cccs2)CC1 ZINC000236652926 456164386 /nfs/dbraw/zinc/16/43/86/456164386.db2.gz GEGLEPJRDRWPLY-LPHOPBHVSA-N 2 0 349.544 3.027 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)ccc2n1 ZINC000333141550 456167691 /nfs/dbraw/zinc/16/76/91/456167691.db2.gz KZYBSJSUDHCHOO-PZJWPPBQSA-N 2 0 339.483 3.262 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236810831 456187393 /nfs/dbraw/zinc/18/73/93/456187393.db2.gz HRXQCQYYGBGPOO-HOTGVXAUSA-N 2 0 337.533 3.155 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccccc1 ZINC000236882560 456196405 /nfs/dbraw/zinc/19/64/05/456196405.db2.gz QOOYRFJFLWUMLL-CTNGQTDRSA-N 2 0 339.483 3.060 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189040438 456208051 /nfs/dbraw/zinc/20/80/51/456208051.db2.gz RCTPGIVXAOEDOJ-YADHBBJMSA-N 2 0 343.559 3.405 20 0 EGADRP C[NH+](C)CCCOc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237108270 456233462 /nfs/dbraw/zinc/23/34/62/456233462.db2.gz DPTLLGRYYHMQGL-LJQANCHMSA-N 2 0 341.455 3.046 20 0 EGADRP C[NH+](C)CCOc1cc(CNc2cc[nH+]c3cc(F)ccc23)ccn1 ZINC000301898347 456246492 /nfs/dbraw/zinc/24/64/92/456246492.db2.gz WTDQJGJUEJQJMN-UHFFFAOYSA-N 2 0 340.402 3.321 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)N3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727779 456255315 /nfs/dbraw/zinc/25/53/15/456255315.db2.gz VQJBGDSUCYYFJN-AUUYWEPGSA-N 2 0 344.434 3.321 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000275667842 456281277 /nfs/dbraw/zinc/28/12/77/456281277.db2.gz FOCOJUQHHYABNG-UHFFFAOYSA-N 2 0 340.471 3.496 20 0 EGADRP COc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1Br ZINC000290308785 456287075 /nfs/dbraw/zinc/28/70/75/456287075.db2.gz BZIGSZDIOKFXGP-SWLSCSKDSA-N 2 0 341.293 3.230 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(Cc2cc(O)cc(F)c2)CC1 ZINC000275739571 456301273 /nfs/dbraw/zinc/30/12/73/456301273.db2.gz POIVGKQGNARMSL-IBGZPJMESA-N 2 0 343.446 3.413 20 0 EGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000297834144 456305408 /nfs/dbraw/zinc/30/54/08/456305408.db2.gz SAHIQKUGYWGKAU-GOSISDBHSA-N 2 0 344.890 3.483 20 0 EGADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340200304 456309093 /nfs/dbraw/zinc/30/90/93/456309093.db2.gz VCNDKHIDIFQULK-IXDOHACOSA-N 2 0 334.504 3.199 20 0 EGADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352838211 456352772 /nfs/dbraw/zinc/35/27/72/456352772.db2.gz JIXWQGIQYMHIKN-RTWAWAEBSA-N 2 0 330.516 3.382 20 0 EGADRP CN1CC[C@@H]([NH2+]CCOc2ncccc2F)C[C@H]1c1ccccc1 ZINC000340308376 456377055 /nfs/dbraw/zinc/37/70/55/456377055.db2.gz ZUPWNZLDYKWTOD-AEFFLSMTSA-N 2 0 329.419 3.025 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC(F)F ZINC000290632559 456388315 /nfs/dbraw/zinc/38/83/15/456388315.db2.gz YBTXYQDNOCVGLT-GJZGRUSLSA-N 2 0 340.414 3.213 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1O ZINC000290699492 456407369 /nfs/dbraw/zinc/40/73/69/456407369.db2.gz NGRXXZUHGXFEDK-HNNXBMFYSA-N 2 0 341.455 3.363 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H]1SC ZINC000298269726 456410439 /nfs/dbraw/zinc/41/04/39/456410439.db2.gz GFLSOZNYDYVMPW-HAGHYFMRSA-N 2 0 348.556 3.050 20 0 EGADRP CCN(Cc1ncc(CN(C)C)s1)[C@H](COC)Cc1ccccc1 ZINC000347870775 456417056 /nfs/dbraw/zinc/41/70/56/456417056.db2.gz RZULMKZRZUVZLQ-KRWDZBQOSA-N 2 0 347.528 3.284 20 0 EGADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340372206 456420312 /nfs/dbraw/zinc/42/03/12/456420312.db2.gz NPBKYGWBQLRGJM-SESVDKBCSA-N 2 0 327.516 3.428 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290947125 456476433 /nfs/dbraw/zinc/47/64/33/456476433.db2.gz OWCDPKCMDBHGNT-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccncc1F ZINC000340476276 456482460 /nfs/dbraw/zinc/48/24/60/456482460.db2.gz SVWDASDCGWFCSO-HNNXBMFYSA-N 2 0 343.446 3.028 20 0 EGADRP COc1ccccc1[C@@H](CNC1CC[NH+](C2CC2)CC1)[NH+]1CCCC1 ZINC000298549930 456488096 /nfs/dbraw/zinc/48/80/96/456488096.db2.gz UNGRUEXEXZYBIZ-HXUWFJFHSA-N 2 0 343.515 3.049 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000282466261 456523367 /nfs/dbraw/zinc/52/33/67/456523367.db2.gz OZTAOGZXQYIFLJ-YZGWKJHDSA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657899146 462311148 /nfs/dbraw/zinc/31/11/48/462311148.db2.gz AMOBLGLYDYNUID-AOIWGVFYSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@H](CO)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000651957147 462391482 /nfs/dbraw/zinc/39/14/82/462391482.db2.gz PBHPVMNMERZOIL-GOSISDBHSA-N 2 0 332.532 3.485 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2Br)CC[NH+](C)CC1 ZINC000353223327 456571774 /nfs/dbraw/zinc/57/17/74/456571774.db2.gz IHYQTQXCPOIHBD-UHFFFAOYSA-N 2 0 343.334 3.366 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000291354359 456615923 /nfs/dbraw/zinc/61/59/23/456615923.db2.gz YCGLXKLRSUKRDB-QGZVFWFLSA-N 2 0 348.535 3.008 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)cc1 ZINC000343445061 456625503 /nfs/dbraw/zinc/62/55/03/456625503.db2.gz NQFXJXWTUDSQFZ-VQIMIIECSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322847066 456650835 /nfs/dbraw/zinc/65/08/35/456650835.db2.gz NIQMCPLQXQZNCR-MGNMYUMUSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000277022579 456656204 /nfs/dbraw/zinc/65/62/04/456656204.db2.gz DJNOVBVWLPTITC-XJGBBZTQSA-N 2 0 348.506 3.218 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338047350 456657038 /nfs/dbraw/zinc/65/70/38/456657038.db2.gz HEIXFVZMZIZRSC-UDFCFZJOSA-N 2 0 335.536 3.112 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[NH+](C)C ZINC000299328348 456658364 /nfs/dbraw/zinc/65/83/64/456658364.db2.gz KRKRIEGPFOBORF-UHFFFAOYSA-N 2 0 338.858 3.405 20 0 EGADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000326710193 456697785 /nfs/dbraw/zinc/69/77/85/456697785.db2.gz ZSDQTHREVYVSFL-TYPHKJRUSA-N 2 0 329.532 3.186 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000343559414 456705170 /nfs/dbraw/zinc/70/51/70/456705170.db2.gz DCCXOFZVRGGJBC-YLJYHZDGSA-N 2 0 330.472 3.373 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000338216725 456711848 /nfs/dbraw/zinc/71/18/48/456711848.db2.gz ACAUTBHNUSSADQ-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000291712489 456729913 /nfs/dbraw/zinc/72/99/13/456729913.db2.gz LORPUGRNZDSPEY-AZUAARDMSA-N 2 0 346.515 3.072 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000353517655 456730153 /nfs/dbraw/zinc/73/01/53/456730153.db2.gz JIIKFXJLQUNIJW-UHFFFAOYSA-N 2 0 346.515 3.333 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2)n1 ZINC000277254946 456747102 /nfs/dbraw/zinc/74/71/02/456747102.db2.gz QNYBHEWVYBIOED-LJQANCHMSA-N 2 0 326.488 3.405 20 0 EGADRP C[C@@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)C[NH+](C)C ZINC000291766424 456751501 /nfs/dbraw/zinc/75/15/01/456751501.db2.gz SFOQZRAONJXMKG-LBPRGKRZSA-N 2 0 339.277 3.012 20 0 EGADRP CCOc1ccc([C@@H](O)C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000291795289 456760792 /nfs/dbraw/zinc/76/07/92/456760792.db2.gz MVQKIEMPGNVWJE-TZIWHRDSSA-N 2 0 346.515 3.315 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)CC(F)F)CC1 ZINC000353585979 456784056 /nfs/dbraw/zinc/78/40/56/456784056.db2.gz BDBJAYWMXNTVNN-CGZBRXJRSA-N 2 0 326.431 3.035 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000348640206 456795734 /nfs/dbraw/zinc/79/57/34/456795734.db2.gz HWSJDSMCQULYAM-HZPDHXFCSA-N 2 0 343.471 3.442 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC[NH+](C)CC1 ZINC000353610182 456801518 /nfs/dbraw/zinc/80/15/18/456801518.db2.gz LXPPXOSGTMJVMA-AWEZNQCLSA-N 2 0 339.524 3.370 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969394 456814415 /nfs/dbraw/zinc/81/44/15/456814415.db2.gz RYXNYDIPMPWCJQ-HYVNUMGLSA-N 2 0 342.405 3.155 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292024778 456833876 /nfs/dbraw/zinc/83/38/76/456833876.db2.gz YNHQGUVOPAWHFP-SFTDATJTSA-N 2 0 330.516 3.178 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000353676337 456848736 /nfs/dbraw/zinc/84/87/36/456848736.db2.gz XIEQUVNVLMTISX-QKQBLWMGSA-N 3 0 341.543 3.359 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751836 456890200 /nfs/dbraw/zinc/89/02/00/456890200.db2.gz KNDMXBZOGWMISN-DOMZBBRYSA-N 2 0 326.282 3.149 20 0 EGADRP CCc1nc(C(C)C)ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000339045553 456914073 /nfs/dbraw/zinc/91/40/73/456914073.db2.gz UXEDCOZMXBYEDN-DZFGPLHGSA-N 2 0 345.531 3.451 20 0 EGADRP CC[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[NH+](CC)CC ZINC000345164092 456949026 /nfs/dbraw/zinc/94/90/26/456949026.db2.gz MTZMVHRGGCGIBA-IBGZPJMESA-N 2 0 333.520 3.263 20 0 EGADRP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(-n2cncn2)c(C)c1 ZINC000349361760 456953171 /nfs/dbraw/zinc/95/31/71/456953171.db2.gz BXLIQGLQAVTLMA-UHFFFAOYSA-N 2 0 329.492 3.130 20 0 EGADRP CC[NH+]1CCC(NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000341817150 456956869 /nfs/dbraw/zinc/95/68/69/456956869.db2.gz UGVYSCZOJJSFFC-OAQYLSRUSA-N 2 0 329.532 3.143 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353948573 456976002 /nfs/dbraw/zinc/97/60/02/456976002.db2.gz VUIBGVPUJADGQG-NWDGAFQWSA-N 2 0 332.366 3.166 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353959364 456979795 /nfs/dbraw/zinc/97/97/95/456979795.db2.gz UORRXGMUHXICGW-CABCVRRESA-N 2 0 336.442 3.446 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)n1 ZINC000341907381 456995421 /nfs/dbraw/zinc/99/54/21/456995421.db2.gz ZYDUNVWEYXWIGK-LUQKVYGDSA-N 2 0 340.515 3.350 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000362664767 457034074 /nfs/dbraw/zinc/03/40/74/457034074.db2.gz BONZBVVDVHHVBM-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356535232 457041932 /nfs/dbraw/zinc/04/19/32/457041932.db2.gz XCKCDEHLWZPUKO-OALUTQOASA-N 2 0 337.467 3.050 20 0 EGADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nn1 ZINC000342035575 457071350 /nfs/dbraw/zinc/07/13/50/457071350.db2.gz BLIAUJRQQYXBGB-GOSISDBHSA-N 2 0 341.503 3.320 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000346648588 457091379 /nfs/dbraw/zinc/09/13/79/457091379.db2.gz PHBLANWWVNJLMA-UHFFFAOYSA-N 2 0 344.478 3.450 20 0 EGADRP C[C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000346701184 457119005 /nfs/dbraw/zinc/11/90/05/457119005.db2.gz RGIATWGGPZPMLF-XLIONFOSSA-N 2 0 327.516 3.256 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)NC1CC[NH+](CC)CC1 ZINC000359953378 457170042 /nfs/dbraw/zinc/17/00/42/457170042.db2.gz WIICMXKCJGTVGW-HNNXBMFYSA-N 2 0 331.504 3.212 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2c(C)nn(CC(C)C)c2OCC)CC1 ZINC000347205494 457288150 /nfs/dbraw/zinc/28/81/50/457288150.db2.gz LQVPPTBUDAFIFJ-UHFFFAOYSA-N 2 0 336.524 3.068 20 0 EGADRP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc(Cl)c1OC ZINC000357047374 457297685 /nfs/dbraw/zinc/29/76/85/457297685.db2.gz JPUPPKZSYHYJJJ-HNNXBMFYSA-N 2 0 338.879 3.179 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@H]12 ZINC000351472527 457298464 /nfs/dbraw/zinc/29/84/64/457298464.db2.gz AZSJTNLQJYMURE-YZGWKJHDSA-N 2 0 335.451 3.108 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357060853 457304028 /nfs/dbraw/zinc/30/40/28/457304028.db2.gz YNDGHMXJGLDNPH-MRXNPFEDSA-N 2 0 328.435 3.037 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1)CC1CC1 ZINC000357074169 457309518 /nfs/dbraw/zinc/30/95/18/457309518.db2.gz GFVOQQIKPAJTCF-KRWDZBQOSA-N 2 0 337.552 3.076 20 0 EGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000363391367 457310061 /nfs/dbraw/zinc/31/00/61/457310061.db2.gz RCRMUJHRHDBMBN-IBGZPJMESA-N 2 0 341.499 3.029 20 0 EGADRP Fc1cccc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000357087622 457315766 /nfs/dbraw/zinc/31/57/66/457315766.db2.gz WIENUJRRGZRVSI-INIZCTEOSA-N 2 0 329.419 3.302 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000355411507 457371728 /nfs/dbraw/zinc/37/17/28/457371728.db2.gz MZBUGYFUZJOCSU-SCTDSRPQSA-N 2 0 331.504 3.059 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000360881298 457403391 /nfs/dbraw/zinc/40/33/91/457403391.db2.gz PKHNMAPKWMKWON-HDICACEKSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3CC[NH3+])n2)cc1F ZINC000352509898 457427765 /nfs/dbraw/zinc/42/77/65/457427765.db2.gz LYHFPMINLQEOQF-MRXNPFEDSA-N 2 0 346.450 3.320 20 0 EGADRP CSc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369882873 457443503 /nfs/dbraw/zinc/44/35/03/457443503.db2.gz NPGNVQZMKBELAE-RDJZCZTQSA-N 2 0 333.545 3.228 20 0 EGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392260546 457457067 /nfs/dbraw/zinc/45/70/67/457457067.db2.gz GNUKYOQITBCOTK-WBVHZDCISA-N 2 0 337.508 3.016 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347500761 457469714 /nfs/dbraw/zinc/46/97/14/457469714.db2.gz LTWUWLWDWTVLMG-UHFFFAOYSA-N 2 0 337.467 3.014 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000397889440 457492814 /nfs/dbraw/zinc/49/28/14/457492814.db2.gz PCHBZBRGDVXFPY-HKUYNNGSSA-N 2 0 347.503 3.013 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000398041129 457495457 /nfs/dbraw/zinc/49/54/57/457495457.db2.gz RXWFALASUMRVCW-MAUKXSAKSA-N 2 0 332.879 3.037 20 0 EGADRP CC(C)n1cncc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000425330909 457502757 /nfs/dbraw/zinc/50/27/57/457502757.db2.gz BFVJLDYZFMIVSW-UHFFFAOYSA-N 2 0 327.476 3.207 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000399751862 457509289 /nfs/dbraw/zinc/50/92/89/457509289.db2.gz ARAJWDZGRGLAKZ-CEMLEFRQSA-N 2 0 335.495 3.433 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000374215466 457526201 /nfs/dbraw/zinc/52/62/01/457526201.db2.gz CJAHLZHDTHCVIU-AZUAARDMSA-N 2 0 344.547 3.032 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000374215474 457526355 /nfs/dbraw/zinc/52/63/55/457526355.db2.gz CJAHLZHDTHCVIU-UYAOXDASSA-N 2 0 344.547 3.032 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000374218665 457528387 /nfs/dbraw/zinc/52/83/87/457528387.db2.gz UEGXRSMCOXEHBL-RTBURBONSA-N 2 0 344.547 3.032 20 0 EGADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CC1CCCC1 ZINC000370215404 457588025 /nfs/dbraw/zinc/58/80/25/457588025.db2.gz KKZDXXXXBTZMSJ-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000357611005 457620837 /nfs/dbraw/zinc/62/08/37/457620837.db2.gz UONURZUDWUHOCX-HKUYNNGSSA-N 2 0 348.535 3.097 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1)C(C)C ZINC000374622469 457674717 /nfs/dbraw/zinc/67/47/17/457674717.db2.gz LHIWWUSILHAWEK-XUVXKRRUSA-N 2 0 343.515 3.116 20 0 EGADRP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000370635057 457687726 /nfs/dbraw/zinc/68/77/26/457687726.db2.gz NWCVGBPWNQQRNS-MOPGFXCFSA-N 2 0 329.532 3.431 20 0 EGADRP Cc1csc(N2CCC([NH2+]C[C@H](C)N3CCCC[C@H]3C)CC2)n1 ZINC000361344233 457700184 /nfs/dbraw/zinc/70/01/84/457700184.db2.gz RLKMKGSUCBJSKH-CVEARBPZSA-N 2 0 336.549 3.273 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc3ccccc3s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370712079 457704378 /nfs/dbraw/zinc/70/43/78/457704378.db2.gz ZHBYSFVPVYJDOZ-QFBILLFUSA-N 2 0 343.540 3.359 20 0 EGADRP CC[N@H+](CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C(C)C ZINC000361412370 457723138 /nfs/dbraw/zinc/72/31/38/457723138.db2.gz IMGJNROTPOBSDX-UHFFFAOYSA-N 2 0 340.556 3.061 20 0 EGADRP CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000361431983 457729997 /nfs/dbraw/zinc/72/99/97/457729997.db2.gz HXPBFCJCNWOTPK-HNNXBMFYSA-N 2 0 335.458 3.113 20 0 EGADRP C[C@]1(CO)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361432810 457730417 /nfs/dbraw/zinc/73/04/17/457730417.db2.gz VFBWGMXFSOGJLQ-JAGQDSLRSA-N 2 0 328.500 3.323 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000433114342 457760455 /nfs/dbraw/zinc/76/04/55/457760455.db2.gz FWYVUQOTDDGQEW-LJQANCHMSA-N 2 0 349.906 3.111 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(SC(C)C)cc3)C2)CC1 ZINC000358071989 457766770 /nfs/dbraw/zinc/76/67/70/457766770.db2.gz XXKLNXIIWIVEAW-IBGZPJMESA-N 2 0 347.572 3.399 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000371117286 457795478 /nfs/dbraw/zinc/79/54/78/457795478.db2.gz FPCYJYMOFPRIQJ-MHTWAQMVSA-N 2 0 340.511 3.446 20 0 EGADRP C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000457693902 457795848 /nfs/dbraw/zinc/79/58/48/457795848.db2.gz IFKVYEKSTWCWRA-IRXDYDNUSA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)c1ccco1 ZINC000433302512 457803966 /nfs/dbraw/zinc/80/39/66/457803966.db2.gz ISGPAUVXGWRWHC-SFHVURJKSA-N 2 0 343.471 3.154 20 0 EGADRP FC(F)n1c2ccccc2nc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358174482 457835589 /nfs/dbraw/zinc/83/55/89/457835589.db2.gz XBBWWLLQXBAUGB-KBPBESRZSA-N 2 0 334.414 3.190 20 0 EGADRP Cn1cc([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)cn1 ZINC000411273511 457846168 /nfs/dbraw/zinc/84/61/68/457846168.db2.gz OJAOPGBGDIMBNU-FQEVSTJZSA-N 2 0 338.499 3.396 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000411321819 457857315 /nfs/dbraw/zinc/85/73/15/457857315.db2.gz JBPWLOCAQLPICB-UXHICEINSA-N 2 0 346.540 3.379 20 0 EGADRP c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc1C[NH+]1CCCCC1 ZINC000411323622 457858464 /nfs/dbraw/zinc/85/84/64/457858464.db2.gz LMLIWQOPPFHYRJ-WOJBJXKFSA-N 2 0 346.540 3.379 20 0 EGADRP CC(C)[NH+]1CCC(NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000375301281 457870695 /nfs/dbraw/zinc/87/06/95/457870695.db2.gz FDVTVERMCFAQPQ-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411403842 457877644 /nfs/dbraw/zinc/87/76/44/457877644.db2.gz XLOFMHWHIDRERB-IBGZPJMESA-N 2 0 330.472 3.200 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000358238186 457878219 /nfs/dbraw/zinc/87/82/19/457878219.db2.gz MKKQIGKLVCQSBI-IZBJGVDFSA-N 2 0 345.531 3.475 20 0 EGADRP C[N@H+](CCCn1ccnc1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411423000 457883847 /nfs/dbraw/zinc/88/38/47/457883847.db2.gz LYRSJLXHJNULCH-UHFFFAOYSA-N 2 0 326.488 3.391 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](O)C(F)(F)F ZINC000411576606 457921038 /nfs/dbraw/zinc/92/10/38/457921038.db2.gz XTGTWOMXAMJESL-KRWDZBQOSA-N 2 0 344.421 3.418 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000371437357 457929755 /nfs/dbraw/zinc/92/97/55/457929755.db2.gz DGRRRAPBPAFTHG-OKZBNKHCSA-N 2 0 329.488 3.237 20 0 EGADRP O[C@@]1(C[NH2+][C@H]2CCc3c2cccc3F)CCN(Cc2ccccc2)C1 ZINC000361891502 457935590 /nfs/dbraw/zinc/93/55/90/457935590.db2.gz HZVDLXABAKBFEH-LEWJYISDSA-N 2 0 340.442 3.040 20 0 EGADRP Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371469568 457948282 /nfs/dbraw/zinc/94/82/82/457948282.db2.gz FTLQXNJZHPJICI-MOXGXCLJSA-N 2 0 328.456 3.425 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)cc1)C(C)C ZINC000371510860 457967336 /nfs/dbraw/zinc/96/73/36/457967336.db2.gz OLWBSQRCTBDKDX-PMACEKPBSA-N 2 0 343.515 3.274 20 0 EGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000458206333 457969289 /nfs/dbraw/zinc/96/92/89/457969289.db2.gz UHGRDNXPTXEQCC-UHFFFAOYSA-N 2 0 345.512 3.014 20 0 EGADRP c1ncc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000411749189 457971310 /nfs/dbraw/zinc/97/13/10/457971310.db2.gz UYQRGZBJACCRIY-ROUUACIJSA-N 2 0 327.497 3.140 20 0 EGADRP Cc1cccc(NCC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000358400512 457979937 /nfs/dbraw/zinc/97/99/37/457979937.db2.gz MICWWKPNAABWFM-QGZVFWFLSA-N 2 0 342.487 3.093 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+](CC)CC ZINC000434665970 458032054 /nfs/dbraw/zinc/03/20/54/458032054.db2.gz QHPJAROCXAIREN-RBUKOAKNSA-N 2 0 327.472 3.076 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000369199325 458120860 /nfs/dbraw/zinc/12/08/60/458120860.db2.gz VEYZXRLYYNGSLU-PMACEKPBSA-N 2 0 344.547 3.033 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000369199328 458121016 /nfs/dbraw/zinc/12/10/16/458121016.db2.gz VEYZXRLYYNGSLU-WOJBJXKFSA-N 2 0 344.547 3.033 20 0 EGADRP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435372950 458121919 /nfs/dbraw/zinc/12/19/19/458121919.db2.gz CEMJJCSSRSTOEU-YOFSQIOKSA-N 2 0 337.467 3.375 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000435372891 458122385 /nfs/dbraw/zinc/12/23/85/458122385.db2.gz LIMLGLIDPJELBA-SUMWQHHRSA-N 2 0 346.906 3.371 20 0 EGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000435372473 458122828 /nfs/dbraw/zinc/12/28/28/458122828.db2.gz JPXDNKXCIILIID-JKSUJKDBSA-N 2 0 326.488 3.339 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435377427 458126985 /nfs/dbraw/zinc/12/69/85/458126985.db2.gz BHZMARRGRZTYPX-HNNXBMFYSA-N 2 0 326.440 3.151 20 0 EGADRP CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435383173 458130330 /nfs/dbraw/zinc/13/03/30/458130330.db2.gz GRSLRQIFGOOBNS-AWEZNQCLSA-N 2 0 326.868 3.321 20 0 EGADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435382075 458130606 /nfs/dbraw/zinc/13/06/06/458130606.db2.gz XLTYVSSWMJUDAD-HNNXBMFYSA-N 2 0 343.858 3.373 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000435391347 458134546 /nfs/dbraw/zinc/13/45/46/458134546.db2.gz SDTBVKFWTCKLNK-OAHLLOKOSA-N 2 0 332.879 3.313 20 0 EGADRP CC1CCC(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000435426176 458143165 /nfs/dbraw/zinc/14/31/65/458143165.db2.gz GXWCOHMLICBSDF-DAWZGUTISA-N 2 0 330.520 3.191 20 0 EGADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000358780091 458212758 /nfs/dbraw/zinc/21/27/58/458212758.db2.gz WWVHRUGXFIWKEF-BOCKYXSRSA-N 2 0 340.577 3.453 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000372192665 458225493 /nfs/dbraw/zinc/22/54/93/458225493.db2.gz VYRNRBQUNPAWHW-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428871618 458225666 /nfs/dbraw/zinc/22/56/66/458225666.db2.gz JTXALDPZFJHXPU-UHFFFAOYSA-N 2 0 349.466 3.273 20 0 EGADRP C[N@H+](CCCO[C@@H]1CCCCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000358828785 458243014 /nfs/dbraw/zinc/24/30/14/458243014.db2.gz LIOKMSQJMLNQLX-NHCUHLMSSA-N 2 0 346.515 3.374 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000436489805 458313805 /nfs/dbraw/zinc/31/38/05/458313805.db2.gz WAOBUVXLJVAVKW-JBACZVJFSA-N 2 0 330.516 3.176 20 0 EGADRP C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000447569236 458313925 /nfs/dbraw/zinc/31/39/25/458313925.db2.gz OHPJHHAIBWYMIQ-SFHVURJKSA-N 2 0 347.547 3.400 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000429521673 458339969 /nfs/dbraw/zinc/33/99/69/458339969.db2.gz NFPKKQIUFNGFFL-BEFAXECRSA-N 2 0 325.456 3.016 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459355406 458340508 /nfs/dbraw/zinc/34/05/08/458340508.db2.gz MRDJOHKOWLHOLO-SFHVURJKSA-N 2 0 340.471 3.155 20 0 EGADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000448024323 458379734 /nfs/dbraw/zinc/37/97/34/458379734.db2.gz XQWDDTKODDTUMS-MAUKXSAKSA-N 2 0 347.503 3.122 20 0 EGADRP Fc1cc(C[NH2+]Cc2cnc3n2CCCC3)ccc1OC(F)F ZINC000376766313 458386401 /nfs/dbraw/zinc/38/64/01/458386401.db2.gz DGALNYUDZWERSS-UHFFFAOYSA-N 2 0 325.334 3.250 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000430042913 458393737 /nfs/dbraw/zinc/39/37/37/458393737.db2.gz RLFVWLDEQSRCOP-MRXNPFEDSA-N 2 0 337.458 3.354 20 0 EGADRP CCOc1cc(C[N@H+](C)CCCN(C)Cc2ccco2)ccc1O ZINC000459547969 458406557 /nfs/dbraw/zinc/40/65/57/458406557.db2.gz KUKNMQCWQQXTKH-UHFFFAOYSA-N 2 0 332.444 3.338 20 0 EGADRP Cc1cc(F)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(Cl)c1 ZINC000459560728 458411521 /nfs/dbraw/zinc/41/15/21/458411521.db2.gz NJFBVHDQPKCUNT-UHFFFAOYSA-N 2 0 341.902 3.245 20 0 EGADRP CC(C)C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CCO1 ZINC000373202030 458428079 /nfs/dbraw/zinc/42/80/79/458428079.db2.gz MVSICXTUAOCOFF-UXHICEINSA-N 2 0 331.504 3.229 20 0 EGADRP COC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423448379 458434489 /nfs/dbraw/zinc/43/44/89/458434489.db2.gz UZDAYXQGPJLZOZ-NUEKZKHPSA-N 2 0 326.843 3.144 20 0 EGADRP CC[C@@H]([NH3+])CN[C@@H](CCCOC)c1ccc(Br)cc1 ZINC000423484730 458441006 /nfs/dbraw/zinc/44/10/06/458441006.db2.gz YWOHUBILUAIZCV-CABCVRRESA-N 2 0 329.282 3.244 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423518456 458450512 /nfs/dbraw/zinc/45/05/12/458450512.db2.gz UXIZLGUWOCMXGG-SUNKGSAMSA-N 2 0 329.257 3.236 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000423541666 458454850 /nfs/dbraw/zinc/45/48/50/458454850.db2.gz LHFWCGRVMHEGSU-ADAWSYLGSA-N 2 0 329.444 3.208 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc21 ZINC000423546968 458455663 /nfs/dbraw/zinc/45/56/63/458455663.db2.gz ZTPQVKFLNRVEQZ-RTBURBONSA-N 2 0 328.456 3.068 20 0 EGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000423550877 458455735 /nfs/dbraw/zinc/45/57/35/458455735.db2.gz FZWZVHSOADWDGP-QGZVFWFLSA-N 2 0 347.572 3.101 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423546121 458455749 /nfs/dbraw/zinc/45/57/49/458455749.db2.gz KETLJINKQCNJBE-TUKTXDRWSA-N 2 0 332.463 3.271 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccn2)cc1 ZINC000423550259 458456427 /nfs/dbraw/zinc/45/64/27/458456427.db2.gz STHJBIFDZMQSBT-YTXYEVPYSA-N 2 0 325.431 3.288 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000430548310 458459210 /nfs/dbraw/zinc/45/92/10/458459210.db2.gz GVXNJTMEGDDCLV-INIZCTEOSA-N 2 0 331.504 3.459 20 0 EGADRP CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000430583845 458466140 /nfs/dbraw/zinc/46/61/40/458466140.db2.gz NPAWSECHWQHTKJ-FQEVSTJZSA-N 2 0 341.455 3.380 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000423742380 458477520 /nfs/dbraw/zinc/47/75/20/458477520.db2.gz LBSAYSCWKVHUIF-PMACEKPBSA-N 2 0 345.531 3.394 20 0 EGADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000459800304 458482760 /nfs/dbraw/zinc/48/27/60/458482760.db2.gz ZNVXUSCFIZYNDE-HNNXBMFYSA-N 2 0 330.451 3.048 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000423790393 458484309 /nfs/dbraw/zinc/48/43/09/458484309.db2.gz GOJNYNYAKVBQKH-HXUWFJFHSA-N 2 0 343.515 3.109 20 0 EGADRP CC(C)c1ccc(C[C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000423802034 458486361 /nfs/dbraw/zinc/48/63/61/458486361.db2.gz NVPRAXIZWNOJDF-KRWDZBQOSA-N 2 0 345.531 3.061 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423837881 458494525 /nfs/dbraw/zinc/49/45/25/458494525.db2.gz GWGMTVLVRVJVAE-SFHVURJKSA-N 2 0 329.488 3.042 20 0 EGADRP [NH3+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430925158 458506801 /nfs/dbraw/zinc/50/68/01/458506801.db2.gz KSLMABVFFBZUSK-QGZVFWFLSA-N 2 0 332.451 3.320 20 0 EGADRP C[C@@H]1CN(Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000430944164 458509030 /nfs/dbraw/zinc/50/90/30/458509030.db2.gz SDEZUFIKIPDJEG-ABAIWWIYSA-N 2 0 334.261 3.166 20 0 EGADRP c1ccc(COc2ccccc2C[NH+]2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000430966379 458510971 /nfs/dbraw/zinc/51/09/71/458510971.db2.gz OLZVBBCGEVKBIL-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460380179 458515379 /nfs/dbraw/zinc/51/53/79/458515379.db2.gz LWFZIEVIVGNNJQ-MDNKFWRPSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)[C@H](C)C1 ZINC000468548163 458527338 /nfs/dbraw/zinc/52/73/38/458527338.db2.gz NRGYFANFRSZEDO-CZUORRHYSA-N 2 0 325.294 3.312 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1)C1CC1 ZINC000424066844 458548795 /nfs/dbraw/zinc/54/87/95/458548795.db2.gz GHVGUIAQWXECTN-BXWFABGCSA-N 2 0 343.515 3.116 20 0 EGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000424077416 458552193 /nfs/dbraw/zinc/55/21/93/458552193.db2.gz ODAUMZVUUAUTQY-BEFAXECRSA-N 2 0 331.504 3.400 20 0 EGADRP Cc1cc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000377896883 458567205 /nfs/dbraw/zinc/56/72/05/458567205.db2.gz ALOOLROGGQTRIN-FQEVSTJZSA-N 2 0 329.532 3.212 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000424215123 458585039 /nfs/dbraw/zinc/58/50/39/458585039.db2.gz FBZYAFHLOPCYEA-TYCQWZJGSA-N 2 0 349.478 3.053 20 0 EGADRP [NH3+]C[C@@H](CN1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000424306102 458610527 /nfs/dbraw/zinc/61/05/27/458610527.db2.gz UNMKJLCDFPWIGS-FQEVSTJZSA-N 2 0 341.474 3.076 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307530 458612139 /nfs/dbraw/zinc/61/21/39/458612139.db2.gz XQVAKVMXZXRALZ-UYAOXDASSA-N 2 0 347.522 3.312 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431741862 458615187 /nfs/dbraw/zinc/61/51/87/458615187.db2.gz SGZZMUKZYBHCEG-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[NH+]1CCCCCC1 ZINC000494068106 458624079 /nfs/dbraw/zinc/62/40/79/458624079.db2.gz DZEXETICKANAQR-NSHGMRRFSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F)CC[NH2+]CC2 ZINC000424368554 458626514 /nfs/dbraw/zinc/62/65/14/458626514.db2.gz ALFURHDYZAAWKV-CYBMUJFWSA-N 2 0 346.425 3.319 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000470261659 458626653 /nfs/dbraw/zinc/62/66/53/458626653.db2.gz UBBLVEWCVYNKRO-GGPKGHCWSA-N 2 0 326.488 3.162 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1c[nH]nc1-c1ccccc1F)CC[NH2+]CC2 ZINC000424383267 458630333 /nfs/dbraw/zinc/63/03/33/458630333.db2.gz TVQIYJCFWBABIQ-CQSZACIVSA-N 2 0 328.435 3.180 20 0 EGADRP C[NH+](C)CCCC1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431819185 458630539 /nfs/dbraw/zinc/63/05/39/458630539.db2.gz XSUXLLFYTXVAIU-FQEVSTJZSA-N 2 0 345.531 3.260 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000424440683 458644017 /nfs/dbraw/zinc/64/40/17/458644017.db2.gz VGXRVSAEPWDYLO-UHFFFAOYSA-N 2 0 346.500 3.111 20 0 EGADRP CCOc1ccc(OCCN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470974586 458672464 /nfs/dbraw/zinc/67/24/64/458672464.db2.gz DWNKRNCCYJWVQF-GOSISDBHSA-N 2 0 332.488 3.128 20 0 EGADRP C[C@H]([C@H]1CCC[NH2+]C1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530210305 458717114 /nfs/dbraw/zinc/71/71/14/458717114.db2.gz JFCOONBPCXBEKU-QAPCUYQASA-N 2 0 346.519 3.370 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503865971 458727014 /nfs/dbraw/zinc/72/70/14/458727014.db2.gz YGJWBRBGVANDTI-RLLQIKCJSA-N 2 0 345.531 3.180 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)C2CC2)c1 ZINC000432418100 458735744 /nfs/dbraw/zinc/73/57/44/458735744.db2.gz PXZISPZPIWWSJU-WIYYLYMNSA-N 2 0 330.516 3.407 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000472273660 458778847 /nfs/dbraw/zinc/77/88/47/458778847.db2.gz HGFPSHAWGKOOAD-SFHVURJKSA-N 2 0 340.895 3.152 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000433038429 458830611 /nfs/dbraw/zinc/83/06/11/458830611.db2.gz GSXKUDIPCKSJIB-XFQXTVEOSA-N 2 0 328.500 3.492 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000518891843 458897666 /nfs/dbraw/zinc/89/76/66/458897666.db2.gz LQOWCBWGUKRMNP-QGZVFWFLSA-N 2 0 329.488 3.341 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@@H]1C ZINC000474799639 458901356 /nfs/dbraw/zinc/90/13/56/458901356.db2.gz IRXLWCOHOXMTEL-NZSAHSFTSA-N 2 0 338.536 3.312 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000474801788 458902535 /nfs/dbraw/zinc/90/25/35/458902535.db2.gz ZIKHHLQQOLURKE-FKSLSLAPSA-N 2 0 338.536 3.454 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC000518999471 458907092 /nfs/dbraw/zinc/90/70/92/458907092.db2.gz CDYJMPKDTIJBGT-SJORKVTESA-N 2 0 330.472 3.129 20 0 EGADRP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC[C@@H]1CCCC[NH+]1C ZINC000441351438 458925123 /nfs/dbraw/zinc/92/51/23/458925123.db2.gz CIOLFHGENXNHOR-KRWDZBQOSA-N 2 0 337.895 3.475 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000576936941 458950875 /nfs/dbraw/zinc/95/08/75/458950875.db2.gz OKHVMLMIJLDRKA-DOTOQJQBSA-N 2 0 344.503 3.228 20 0 EGADRP CCc1cccc(Cl)c1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000475689516 458957661 /nfs/dbraw/zinc/95/76/61/458957661.db2.gz CRQCAFAPUWLTIP-OAHLLOKOSA-N 2 0 338.923 3.427 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000556665206 458984735 /nfs/dbraw/zinc/98/47/35/458984735.db2.gz BQKONQLRNVIALG-BEFAXECRSA-N 2 0 344.503 3.087 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000495875336 458988153 /nfs/dbraw/zinc/98/81/53/458988153.db2.gz NRTCAAIMVACVNF-UHFFFAOYSA-N 2 0 347.503 3.143 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](CO)Cc3ccco3)CC2)C1 ZINC000532025359 459019310 /nfs/dbraw/zinc/01/93/10/459019310.db2.gz ZPIRFVDSERMYFR-ZIFCJYIRSA-N 2 0 334.504 3.063 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC000566973057 459029396 /nfs/dbraw/zinc/02/93/96/459029396.db2.gz NSWXJINAHBXUHQ-HUUCEWRRSA-N 2 0 339.886 3.462 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3C(C)(C)C)CC2)C1 ZINC000556898120 459029731 /nfs/dbraw/zinc/02/97/31/459029731.db2.gz GWOJXLTWKPQUQP-MJKGWSOKSA-N 2 0 349.563 3.312 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059407 459041678 /nfs/dbraw/zinc/04/16/78/459041678.db2.gz XOGYMAVMDQEJSW-MLGOLLRUSA-N 2 0 331.287 3.347 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1(C)C ZINC000442881335 459051492 /nfs/dbraw/zinc/05/14/92/459051492.db2.gz ZFLASCDSXBFAMS-TZIWHRDSSA-N 2 0 329.532 3.112 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)C1 ZINC000557482155 459075684 /nfs/dbraw/zinc/07/56/84/459075684.db2.gz YEQJVNGBMRYPKU-UHFFFAOYSA-N 2 0 340.471 3.433 20 0 EGADRP CC(C)[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000594522355 459078888 /nfs/dbraw/zinc/07/88/88/459078888.db2.gz QEOITINZRKYZDZ-INIZCTEOSA-N 2 0 326.525 3.453 20 0 EGADRP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000577708880 459079236 /nfs/dbraw/zinc/07/92/36/459079236.db2.gz BERCXBNTZJGEER-ZMMAXQRCSA-N 2 0 334.508 3.194 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]([NH3+])C3CCC3)c2)CC1 ZINC000567604298 459131777 /nfs/dbraw/zinc/13/17/77/459131777.db2.gz NARPERDGBXBMNV-LJQANCHMSA-N 2 0 329.488 3.027 20 0 EGADRP COc1ncc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000532778060 459142389 /nfs/dbraw/zinc/14/23/89/459142389.db2.gz JPNNQXFSSAHQFY-PBHICJAKSA-N 2 0 335.879 3.192 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)C(C)(C)C[NH+](C)C ZINC000567689004 459146629 /nfs/dbraw/zinc/14/66/29/459146629.db2.gz AKHNMQHIPVKHSU-QRFRQXIXSA-N 2 0 348.531 3.007 20 0 EGADRP Cc1ccc(Cl)cc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000532797755 459146845 /nfs/dbraw/zinc/14/68/45/459146845.db2.gz QWBHKNVVNSMAPK-UHFFFAOYSA-N 2 0 344.846 3.048 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000558419332 459156706 /nfs/dbraw/zinc/15/67/06/459156706.db2.gz NPDQJSCAAMRJFB-HXUWFJFHSA-N 2 0 331.548 3.465 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC1CC[NH2+]CC1 ZINC000479682715 459158896 /nfs/dbraw/zinc/15/88/96/459158896.db2.gz BYOTUNJQCXRQKZ-UHFFFAOYSA-N 2 0 344.478 3.470 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578247723 459169794 /nfs/dbraw/zinc/16/97/94/459169794.db2.gz GGZIFOGXFXLXJO-JKSUJKDBSA-N 2 0 327.428 3.242 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000521643748 459169994 /nfs/dbraw/zinc/16/99/94/459169994.db2.gz NIRHPIWERCUTJQ-UHFFFAOYSA-N 2 0 348.494 3.205 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496432292 459190297 /nfs/dbraw/zinc/19/02/97/459190297.db2.gz AJLFHPLPGVTCPI-WBVHZDCISA-N 2 0 339.524 3.144 20 0 EGADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000496547265 459234849 /nfs/dbraw/zinc/23/48/49/459234849.db2.gz IRRPQMMGBJGVFX-RCCFBDPRSA-N 2 0 331.460 3.265 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496607768 459257291 /nfs/dbraw/zinc/25/72/91/459257291.db2.gz RORHVOJMGCLUBA-QGZVFWFLSA-N 2 0 333.476 3.018 20 0 EGADRP CSc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000595331765 459278248 /nfs/dbraw/zinc/27/82/48/459278248.db2.gz DCFFQGUSOXQDTF-GOSISDBHSA-N 2 0 333.545 3.009 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000582005701 459290533 /nfs/dbraw/zinc/29/05/33/459290533.db2.gz HEKKBEJCZNWAHR-LJQANCHMSA-N 2 0 337.467 3.257 20 0 EGADRP CC(C)(C)OC(=O)NC1CC([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000496727556 459301981 /nfs/dbraw/zinc/30/19/81/459301981.db2.gz ZCHJEDHCWGDONX-UHFFFAOYSA-N 2 0 337.508 3.039 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000496744308 459307614 /nfs/dbraw/zinc/30/76/14/459307614.db2.gz XARQYUMYDDBSEO-SOEBMCCKSA-N 2 0 339.524 3.237 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)CC1 ZINC000560265134 459317746 /nfs/dbraw/zinc/31/77/46/459317746.db2.gz FHQMKJYZMVZCFM-HXUWFJFHSA-N 2 0 344.499 3.208 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000568991120 459377951 /nfs/dbraw/zinc/37/79/51/459377951.db2.gz KOTMXDMRFBNIOZ-GHTZIAJQSA-N 2 0 348.531 3.327 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000483712599 459384769 /nfs/dbraw/zinc/38/47/69/459384769.db2.gz MJYIZJXZKBZPET-DYXWJJEUSA-N 2 0 348.531 3.489 20 0 EGADRP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000560827087 459400169 /nfs/dbraw/zinc/40/01/69/459400169.db2.gz UTVAPYOFELOOQQ-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2ccccc21 ZINC000591582347 459407736 /nfs/dbraw/zinc/40/77/36/459407736.db2.gz JXOBGDZLZMNMGX-ATZDWAIDSA-N 2 0 342.483 3.433 20 0 EGADRP C[N@H+](CCOc1ccc(Br)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000525001303 459410112 /nfs/dbraw/zinc/41/01/12/459410112.db2.gz LMLBZPQIHZXGRY-AWEZNQCLSA-N 2 0 341.293 3.102 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000541348895 459448084 /nfs/dbraw/zinc/44/80/84/459448084.db2.gz JHFWTIWBCOATBW-QUCCMNQESA-N 2 0 347.934 3.428 20 0 EGADRP CCCCN(C(=O)C[N@H+](C)CCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000525459617 459456613 /nfs/dbraw/zinc/45/66/13/459456613.db2.gz OUWOTBUNVBLEJU-UHFFFAOYSA-N 2 0 325.541 3.266 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497238479 459498248 /nfs/dbraw/zinc/49/82/48/459498248.db2.gz YJQIKPRTLJGXKM-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)c2ccccc2C[NH+](C)C)c(F)c1 ZINC000583250430 459508762 /nfs/dbraw/zinc/50/87/62/459508762.db2.gz TVNUQHUHKFIVGS-UHFFFAOYSA-N 2 0 329.419 3.201 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000583733996 459587851 /nfs/dbraw/zinc/58/78/51/459587851.db2.gz CVCDPJVNCUQMLM-VMLCMGRWSA-N 2 0 327.516 3.190 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000592450476 459602349 /nfs/dbraw/zinc/60/23/49/459602349.db2.gz CPWHGMOKECBFNU-HDICACEKSA-N 2 0 345.531 3.123 20 0 EGADRP O[C@H]1C[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)N(Cc2ccccc2)C1 ZINC000527523716 459654855 /nfs/dbraw/zinc/65/48/55/459654855.db2.gz SAKNDWSNQXVUSP-MOPGFXCFSA-N 2 0 346.421 3.349 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000500424388 459678997 /nfs/dbraw/zinc/67/89/97/459678997.db2.gz VGOWGWYPUWBUOK-SFTDATJTSA-N 2 0 346.515 3.115 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000562959469 459681471 /nfs/dbraw/zinc/68/14/71/459681471.db2.gz SFLLDWYCMDANFB-UZLBHIALSA-N 2 0 328.456 3.474 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCN(C(C)(C)C)C3=O)CC2)C1 ZINC000584231631 459686897 /nfs/dbraw/zinc/68/68/97/459686897.db2.gz GYUUROZYJWBENL-NJAFHUGGSA-N 2 0 335.536 3.019 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000527672229 459693340 /nfs/dbraw/zinc/69/33/40/459693340.db2.gz FDFKSAXAHDWOQV-BDJLRTHQSA-N 2 0 328.378 3.286 20 0 EGADRP COC(=O)c1ccc(F)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000543752424 459696657 /nfs/dbraw/zinc/69/66/57/459696657.db2.gz DFUBSEIPSNLELC-UHFFFAOYSA-N 2 0 336.451 3.165 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000543777921 459699684 /nfs/dbraw/zinc/69/96/84/459699684.db2.gz PSNRVWGBZHVLSC-DYZFASSGSA-N 2 0 340.511 3.168 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000584303621 459706151 /nfs/dbraw/zinc/70/61/51/459706151.db2.gz IAYUXAZAAJUYHN-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000563134446 459722440 /nfs/dbraw/zinc/72/24/40/459722440.db2.gz BWSHDMGNQLGPKC-OXJNMPFZSA-N 2 0 347.572 3.402 20 0 EGADRP O[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000574280914 459801473 /nfs/dbraw/zinc/80/14/73/459801473.db2.gz NMIBFPNIQZNCQP-PWRODBHTSA-N 2 0 328.500 3.136 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)c2ccccc21 ZINC000566089208 459803614 /nfs/dbraw/zinc/80/36/14/459803614.db2.gz GRTUMWOAQXBDIM-RYUDHWBXSA-N 2 0 327.375 3.439 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000566112101 459807477 /nfs/dbraw/zinc/80/74/77/459807477.db2.gz JYQSLMGCCVOZKV-AQNXPRMDSA-N 2 0 342.483 3.042 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCSCc3ccccc3)C2)C1 ZINC000593315423 459839161 /nfs/dbraw/zinc/83/91/61/459839161.db2.gz JNLPGDITVQWBNR-QRVBRYPASA-N 2 0 334.529 3.138 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])ccc2o1 ZINC000593729023 459966362 /nfs/dbraw/zinc/96/63/62/459966362.db2.gz CRXHNKJXZBCRRO-BBRMVZONSA-N 2 0 330.428 3.169 20 0 EGADRP Cc1cccc(OCC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710063 459974166 /nfs/dbraw/zinc/97/41/66/459974166.db2.gz GYTFJPAFXFIAQA-KDURUIRLSA-N 2 0 346.515 3.195 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621655413 459997645 /nfs/dbraw/zinc/99/76/45/459997645.db2.gz MQVMHOAFFSXADF-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP COC(=O)C1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000589173105 460044821 /nfs/dbraw/zinc/04/48/21/460044821.db2.gz DEDOXROTTLXSSW-IEBWSBKVSA-N 2 0 344.499 3.220 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000576272064 460104553 /nfs/dbraw/zinc/10/45/53/460104553.db2.gz PROZGFFSGCEUHV-UHFFFAOYSA-N 2 0 337.895 3.379 20 0 EGADRP COC(=O)CC1CCC([NH2+]CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000599022555 460130023 /nfs/dbraw/zinc/13/00/23/460130023.db2.gz RCFLDWXJKVIGFC-UHFFFAOYSA-N 2 0 332.488 3.220 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000604384693 460416598 /nfs/dbraw/zinc/41/65/98/460416598.db2.gz XULJGLOSRULDFS-ROUUACIJSA-N 2 0 342.527 3.497 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000604389371 460418275 /nfs/dbraw/zinc/41/82/75/460418275.db2.gz ZMAHJLDVYJFSMP-JOCHJYFZSA-N 2 0 337.511 3.094 20 0 EGADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000634732899 460498615 /nfs/dbraw/zinc/49/86/15/460498615.db2.gz ROYXACQBVCQOKM-HOJAQTOUSA-N 2 0 329.532 3.407 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000623888496 460761967 /nfs/dbraw/zinc/76/19/67/460761967.db2.gz IVDRLISLFFMVJE-QGZVFWFLSA-N 2 0 345.512 3.293 20 0 EGADRP Cc1csc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000623888558 460762757 /nfs/dbraw/zinc/76/27/57/460762757.db2.gz KVIIDSCKRYSXOA-HNNXBMFYSA-N 2 0 333.501 3.285 20 0 EGADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629535023 460799799 /nfs/dbraw/zinc/79/97/99/460799799.db2.gz BVYZRYOOKOHTPB-WAOWUJCRSA-N 2 0 345.531 3.486 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617349597 460824014 /nfs/dbraw/zinc/82/40/14/460824014.db2.gz SCYPCZPQVBAHPD-CQSZACIVSA-N 2 0 343.471 3.097 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)c1OC ZINC000624122870 460872895 /nfs/dbraw/zinc/87/28/95/460872895.db2.gz AHWSFTNWEHNQEJ-NVXWUHKLSA-N 2 0 334.504 3.265 20 0 EGADRP CN(C)CC[NH2+]Cc1ccc(-c2ccc(C[NH+](C)C)c(F)c2)cc1 ZINC000629709089 460879626 /nfs/dbraw/zinc/87/96/26/460879626.db2.gz OAFXDQOSWMVRGV-UHFFFAOYSA-N 2 0 329.463 3.206 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3(C[NH3+])CCCCC3)ccc21 ZINC000632952066 460904424 /nfs/dbraw/zinc/90/44/24/460904424.db2.gz DIGIOWCMBIJCIJ-KRWDZBQOSA-N 2 0 330.476 3.019 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccccc2)CC1 ZINC000608071088 460978783 /nfs/dbraw/zinc/97/87/83/460978783.db2.gz POFBQIVIIOFAJX-UHFFFAOYSA-N 2 0 329.875 3.382 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000602022949 460993504 /nfs/dbraw/zinc/99/35/04/460993504.db2.gz UPRNPESLTQFUPZ-STEAMIEHSA-N 2 0 330.472 3.275 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000613659723 461029233 /nfs/dbraw/zinc/02/92/33/461029233.db2.gz CWQGHZPPKDKATH-RTBURBONSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000624579322 461058516 /nfs/dbraw/zinc/05/85/16/461058516.db2.gz DXNAYTMYAINURA-QRVBRYPASA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000624579317 461058724 /nfs/dbraw/zinc/05/87/24/461058724.db2.gz DXNAYTMYAINURA-CEXWTWQISA-N 2 0 349.563 3.362 20 0 EGADRP O=C(Nc1ccccc1)C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662249678 461141793 /nfs/dbraw/zinc/14/17/93/461141793.db2.gz XGYYGVWJOSVLDY-UHFFFAOYSA-N 2 0 349.478 3.183 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cc2)n1 ZINC000652355111 461148973 /nfs/dbraw/zinc/14/89/73/461148973.db2.gz PMBMHJTXNATPOE-YWZLYKJASA-N 2 0 326.488 3.438 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)on2)C1 ZINC000652363948 461158352 /nfs/dbraw/zinc/15/83/52/461158352.db2.gz SQIOCXLWYIZIHH-POAQFYNOSA-N 2 0 341.455 3.202 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCSc2cccc(Cl)c2)CC12CCOCC2 ZINC000662272742 461160609 /nfs/dbraw/zinc/16/06/09/461160609.db2.gz IBZMQHJUDJCOSG-CQSZACIVSA-N 2 0 340.920 3.119 20 0 EGADRP COc1cccc(SCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000662272927 461161157 /nfs/dbraw/zinc/16/11/57/461161157.db2.gz IJAYXMYGEILLFY-IRXDYDNUSA-N 2 0 334.529 3.499 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000662281643 461162901 /nfs/dbraw/zinc/16/29/01/461162901.db2.gz KTRCSFCVAHLFFS-CRAIPNDOSA-N 2 0 338.879 3.067 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000662282163 461165265 /nfs/dbraw/zinc/16/52/65/461165265.db2.gz SVKTZIHWVIZBCL-DOTOQJQBSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000662286943 461167527 /nfs/dbraw/zinc/16/75/27/461167527.db2.gz UQDNVWXKDXRXSK-HUUJSLGLSA-N 2 0 328.500 3.325 20 0 EGADRP COc1ccc(OCCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290491 461168002 /nfs/dbraw/zinc/16/80/02/461168002.db2.gz DPOBOUCOTKUXNW-SFHVURJKSA-N 2 0 332.488 3.176 20 0 EGADRP CC(C)(C)[C@H]([NH3+])c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179492 461168309 /nfs/dbraw/zinc/16/83/09/461168309.db2.gz NDQJOPAAAFMGFN-LJQANCHMSA-N 2 0 341.503 3.358 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292030 461169202 /nfs/dbraw/zinc/16/92/02/461169202.db2.gz KYVRGRIRNAGSKQ-KRWDZBQOSA-N 2 0 347.478 3.174 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295175 461172827 /nfs/dbraw/zinc/17/28/27/461172827.db2.gz FSASCAQAFYVBON-SJLPKXTDSA-N 2 0 329.488 3.034 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297453 461175866 /nfs/dbraw/zinc/17/58/66/461175866.db2.gz QELHCPUWBIQFEX-ZBFHGGJFSA-N 2 0 349.906 3.379 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297452 461176584 /nfs/dbraw/zinc/17/65/84/461176584.db2.gz QELHCPUWBIQFEX-HOCLYGCPSA-N 2 0 349.906 3.379 20 0 EGADRP C[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CCC[NH3+] ZINC000662314244 461185617 /nfs/dbraw/zinc/18/56/17/461185617.db2.gz OROYSWOREPRUCE-NVXWUHKLSA-N 2 0 328.460 3.119 20 0 EGADRP COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)cc1 ZINC000662314601 461186127 /nfs/dbraw/zinc/18/61/27/461186127.db2.gz ONUNGVMPPVZMQT-RHSMWYFYSA-N 2 0 344.459 3.085 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)[C@@H]1CCC[NH3+] ZINC000662317598 461189730 /nfs/dbraw/zinc/18/97/30/461189730.db2.gz SLMLPEVNDGEBSD-RHSMWYFYSA-N 2 0 347.894 3.260 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])c2cccc(OC)c2)c1 ZINC000638067774 461227006 /nfs/dbraw/zinc/22/70/06/461227006.db2.gz UTFWVDUOTLWDHH-LJQANCHMSA-N 2 0 341.455 3.176 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662440432 461244403 /nfs/dbraw/zinc/24/44/03/461244403.db2.gz LMIXCOFBTVAKDZ-IBGZPJMESA-N 2 0 333.520 3.108 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000662472906 461257330 /nfs/dbraw/zinc/25/73/30/461257330.db2.gz QLUMYMCYUNEPPF-QGZVFWFLSA-N 2 0 349.478 3.026 20 0 EGADRP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662486147 461265078 /nfs/dbraw/zinc/26/50/78/461265078.db2.gz LOWSZWPVQPWGMH-LJQANCHMSA-N 2 0 349.478 3.026 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000662531080 461283760 /nfs/dbraw/zinc/28/37/60/461283760.db2.gz UBKUSJKBRWQIFF-WMLDXEAASA-N 2 0 339.911 3.070 20 0 EGADRP C[C@@H](CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000665821614 461289868 /nfs/dbraw/zinc/28/98/68/461289868.db2.gz QOBLLSBWNSTIFL-KRWDZBQOSA-N 2 0 346.519 3.177 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)CC1CCCCC1 ZINC000662588212 461306342 /nfs/dbraw/zinc/30/63/42/461306342.db2.gz RYCGEDSDABNHOD-PMACEKPBSA-N 2 0 349.563 3.303 20 0 EGADRP CSc1ccc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000641718284 461336510 /nfs/dbraw/zinc/33/65/10/461336510.db2.gz VHHHQSWDIUQMHA-UHFFFAOYSA-N 2 0 334.485 3.274 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633953427 461352414 /nfs/dbraw/zinc/35/24/14/461352414.db2.gz JDNCMWUJUWHDHB-KSZLIROESA-N 2 0 335.536 3.115 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCCn4ccnc43)CC2)c1 ZINC000655704112 461375715 /nfs/dbraw/zinc/37/57/15/461375715.db2.gz PUPKNYRHWPOAFT-KRWDZBQOSA-N 2 0 330.501 3.281 20 0 EGADRP CC(C)[C@@H](C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000638354275 461381827 /nfs/dbraw/zinc/38/18/27/461381827.db2.gz YTBGBMLTEBOALI-NJDAHSKKSA-N 2 0 329.532 3.042 20 0 EGADRP CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000641807771 461382087 /nfs/dbraw/zinc/38/20/87/461382087.db2.gz RWVSYVBGWBHDTC-QWHCGFSZSA-N 2 0 330.259 3.037 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000638367143 461390781 /nfs/dbraw/zinc/39/07/81/461390781.db2.gz MKXLZMLWYCXJMH-IOMROCGXSA-N 2 0 346.515 3.202 20 0 EGADRP CO[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCOC1 ZINC000638458150 461437816 /nfs/dbraw/zinc/43/78/16/461437816.db2.gz RIWVQMZVEPGAIU-SFTDATJTSA-N 2 0 346.515 3.204 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638552504 461481246 /nfs/dbraw/zinc/48/12/46/461481246.db2.gz NZSBVVKJPSWYCY-HMXCVIKNSA-N 2 0 329.532 3.043 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631041247 461492856 /nfs/dbraw/zinc/49/28/56/461492856.db2.gz OSSANRXLDOGSSW-UHFFFAOYSA-N 2 0 329.463 3.096 20 0 EGADRP COc1ccc([C@H](C)CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638632516 461512497 /nfs/dbraw/zinc/51/24/97/461512497.db2.gz ZYWFRHYMIQQFSF-MRXNPFEDSA-N 2 0 334.504 3.014 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1CC1 ZINC000638672666 461528099 /nfs/dbraw/zinc/52/80/99/461528099.db2.gz XKELFSHXWMEBEZ-HXUWFJFHSA-N 2 0 328.456 3.426 20 0 EGADRP CC[N@H+](CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C1CCCCC1 ZINC000653200905 461555000 /nfs/dbraw/zinc/55/50/00/461555000.db2.gz UCVKVRVZCSKADD-ZVBHREPYSA-N 2 0 349.563 3.301 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663343937 461571483 /nfs/dbraw/zinc/57/14/83/461571483.db2.gz KGZUINRRCZTUQD-KRWDZBQOSA-N 2 0 342.487 3.200 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663344385 461571868 /nfs/dbraw/zinc/57/18/68/461571868.db2.gz SKRUAYSCXUQXCW-YLJYHZDGSA-N 2 0 346.515 3.312 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000638853318 461618869 /nfs/dbraw/zinc/61/88/69/461618869.db2.gz DXXYJQINYVEDHY-SFTDATJTSA-N 2 0 346.515 3.060 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469582 461660126 /nfs/dbraw/zinc/66/01/26/461660126.db2.gz QVAFOJOKBNMSPE-NVXWUHKLSA-N 2 0 347.478 3.254 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000663471770 461661902 /nfs/dbraw/zinc/66/19/02/461661902.db2.gz XWVHOJOECIJPOL-WBVHZDCISA-N 2 0 330.472 3.230 20 0 EGADRP Cc1nc2c(n1[C@@H]1CC[N@@H+]([C@H](c3nccn3C)C3CC3)C1)CCCC2 ZINC000639077425 461709317 /nfs/dbraw/zinc/70/93/17/461709317.db2.gz WWWZGAGTLYOIPM-APWZRJJASA-N 2 0 339.487 3.202 20 0 EGADRP COC1CC[NH+](C2(CNc3[nH+]ccc4[nH]ccc43)CCCC2)CC1 ZINC000663577413 461711504 /nfs/dbraw/zinc/71/15/04/461711504.db2.gz MBTNNFYSSIVHRY-UHFFFAOYSA-N 2 0 328.460 3.398 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480209 461740201 /nfs/dbraw/zinc/74/02/01/461740201.db2.gz FTOPEMDQMNLFQY-RKFFNLMFSA-N 2 0 327.516 3.017 20 0 EGADRP CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000666657054 461742261 /nfs/dbraw/zinc/74/22/61/461742261.db2.gz LMHSBBOFLSVIDK-SFHVURJKSA-N 2 0 344.503 3.277 20 0 EGADRP c1ccc2c(c1)onc2CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000653587110 461743030 /nfs/dbraw/zinc/74/30/30/461743030.db2.gz PPMWFIGDUMEGLF-HNAYVOBHSA-N 2 0 325.456 3.319 20 0 EGADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000643528182 461754207 /nfs/dbraw/zinc/75/42/07/461754207.db2.gz FETGDYWZCWWXOG-IUCAKERBSA-N 2 0 337.773 3.013 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536592 461756587 /nfs/dbraw/zinc/75/65/87/461756587.db2.gz VIMIIDFTSSQOTF-KBPBESRZSA-N 2 0 339.252 3.307 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542775 461756526 /nfs/dbraw/zinc/75/65/26/461756526.db2.gz BPYOAYGTFBWMMR-ROUUACIJSA-N 2 0 332.536 3.467 20 0 EGADRP COC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC000643536100 461756842 /nfs/dbraw/zinc/75/68/42/461756842.db2.gz RAGTVLGAAZJOJI-CABCVRRESA-N 2 0 328.378 3.125 20 0 EGADRP COC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC000643536102 461757630 /nfs/dbraw/zinc/75/76/30/461757630.db2.gz RAGTVLGAAZJOJI-GJZGRUSLSA-N 2 0 328.378 3.125 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643546997 461758768 /nfs/dbraw/zinc/75/87/68/461758768.db2.gz YEFXGQWREBELMZ-NVXWUHKLSA-N 2 0 348.487 3.046 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1cccnc1 ZINC000647550994 461762832 /nfs/dbraw/zinc/76/28/32/461762832.db2.gz SBGARVFUFBHEBP-IXDOHACOSA-N 2 0 341.430 3.491 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000639147708 461763001 /nfs/dbraw/zinc/76/30/01/461763001.db2.gz VRBZZDAIFZMABY-OAQYLSRUSA-N 2 0 346.515 3.454 20 0 EGADRP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549424 461763191 /nfs/dbraw/zinc/76/31/91/461763191.db2.gz ZBZHQGDDWVLJFH-QGPMSJSTSA-N 2 0 341.430 3.491 20 0 EGADRP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)c1 ZINC000647550724 461763367 /nfs/dbraw/zinc/76/33/67/461763367.db2.gz DZVLFANGCFRQSO-JFIYKMOQSA-N 2 0 341.430 3.491 20 0 EGADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC[NH+](C)CC1 ZINC000653617228 461764304 /nfs/dbraw/zinc/76/43/04/461764304.db2.gz MZZAHPYOWFXAJD-IFXJQAMLSA-N 2 0 344.503 3.087 20 0 EGADRP Fc1ccccc1-c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647551581 461764656 /nfs/dbraw/zinc/76/46/56/461764656.db2.gz WIEGCCGGXKLGFC-MGPQQGTHSA-N 2 0 331.460 3.427 20 0 EGADRP c1cc2c(cc[nH+]c2NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[nH]1 ZINC000663844251 461833296 /nfs/dbraw/zinc/83/32/96/461833296.db2.gz AVYRWPJFGZFCQQ-QGZVFWFLSA-N 2 0 336.439 3.266 20 0 EGADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647784419 461833674 /nfs/dbraw/zinc/83/36/74/461833674.db2.gz TUXMACQEMFSZKV-GZBFAFLISA-N 2 0 341.268 3.108 20 0 EGADRP COCCSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786663 461834291 /nfs/dbraw/zinc/83/42/91/461834291.db2.gz VAHBGRVMIMQKQE-DZOHQFGASA-N 2 0 334.529 3.464 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647786223 461834336 /nfs/dbraw/zinc/83/43/36/461834336.db2.gz LDLLCRQTSUVDKJ-MUQADHOPSA-N 2 0 333.907 3.144 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000666853927 461836123 /nfs/dbraw/zinc/83/61/23/461836123.db2.gz OLZMTMGMRRBXIE-ZLDLUXBVSA-N 2 0 343.393 3.282 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000647796995 461839726 /nfs/dbraw/zinc/83/97/26/461839726.db2.gz UJASPKQYDTUYNW-HDAAZOAOSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NCc1cccs1 ZINC000647801995 461843943 /nfs/dbraw/zinc/84/39/43/461843943.db2.gz AGMNUVMPBWRLFC-UXLLHSPISA-N 2 0 337.533 3.043 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000656784327 461893283 /nfs/dbraw/zinc/89/32/83/461893283.db2.gz ALRFELLGUGJPFV-LJQANCHMSA-N 2 0 338.499 3.299 20 0 EGADRP CCOc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656785179 461896176 /nfs/dbraw/zinc/89/61/76/461896176.db2.gz KDINRFVPMSUAPA-GOSISDBHSA-N 2 0 332.488 3.306 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785163 461896313 /nfs/dbraw/zinc/89/63/13/461896313.db2.gz JVVWROVMEKLTIU-LJQANCHMSA-N 2 0 338.499 3.392 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647938871 461896723 /nfs/dbraw/zinc/89/67/23/461896723.db2.gz WINZAFPRCHJZBM-PXNSSMCTSA-N 2 0 337.467 3.498 20 0 EGADRP NC1(C[NH2+]Cc2cccc3c2CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000650704043 461897818 /nfs/dbraw/zinc/89/78/18/461897818.db2.gz DHRRNOCFQIQOOT-UHFFFAOYSA-N 3 0 349.522 3.258 20 0 EGADRP c1cn2c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c(C3CC3)nc2s1 ZINC000656787419 461898369 /nfs/dbraw/zinc/89/83/69/461898369.db2.gz YJNJBLBTRGMHNV-INIZCTEOSA-N 2 0 344.528 3.485 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706500 461899586 /nfs/dbraw/zinc/89/95/86/461899586.db2.gz LXNLPYAVHSQWGK-NSHGMRRFSA-N 2 0 332.488 3.192 20 0 EGADRP CCCOc1ccc(OCCN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660651464 461902756 /nfs/dbraw/zinc/90/27/56/461902756.db2.gz AJGRBZMUFXVJHK-FQEVSTJZSA-N 2 0 332.488 3.272 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651787 461903430 /nfs/dbraw/zinc/90/34/30/461903430.db2.gz CHQMFRSHQYSJHQ-SFHVURJKSA-N 2 0 336.863 3.029 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000650709313 461904131 /nfs/dbraw/zinc/90/41/31/461904131.db2.gz QHQNVZVISNWWKZ-YJBOKZPZSA-N 2 0 330.863 3.291 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000650718415 461909643 /nfs/dbraw/zinc/90/96/43/461909643.db2.gz LGJQOYUUSLJESX-UHFFFAOYSA-N 2 0 328.309 3.473 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975092 461916358 /nfs/dbraw/zinc/91/63/58/461916358.db2.gz KROAWVIXSNPXCA-WDSOQIARSA-N 2 0 343.515 3.288 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975210 461916792 /nfs/dbraw/zinc/91/67/92/461916792.db2.gz QIXMOMISUZKFOR-MSOLQXFVSA-N 2 0 343.515 3.460 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000650723853 461916998 /nfs/dbraw/zinc/91/69/98/461916998.db2.gz VAYBZSGZAVZMEW-DJIMGWMZSA-N 2 0 340.414 3.149 20 0 EGADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977570 461918501 /nfs/dbraw/zinc/91/85/01/461918501.db2.gz DQEHVMBWERFADF-QZTJIDSGSA-N 2 0 332.488 3.176 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660680793 461922816 /nfs/dbraw/zinc/92/28/16/461922816.db2.gz XSLMIJWDHAGKFV-OALUTQOASA-N 2 0 329.532 3.219 20 0 EGADRP CCN(CC)C(=O)CCC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647989559 461925776 /nfs/dbraw/zinc/92/57/76/461925776.db2.gz FBXATRZGACNCAU-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763546 461941587 /nfs/dbraw/zinc/94/15/87/461941587.db2.gz DCXZBHCUESEODS-CQSZACIVSA-N 2 0 337.895 3.345 20 0 EGADRP COc1cc(OC)c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Cl ZINC000650763831 461942537 /nfs/dbraw/zinc/94/25/37/461942537.db2.gz KICQJFZYALEVDX-GFCCVEGCSA-N 2 0 326.868 3.398 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000648053083 461959908 /nfs/dbraw/zinc/95/99/08/461959908.db2.gz GVZRXEPUXXMESH-LJQANCHMSA-N 2 0 325.456 3.012 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000644513458 461965939 /nfs/dbraw/zinc/96/59/39/461965939.db2.gz JLWHCIMNPUICKK-QGZVFWFLSA-N 2 0 344.421 3.071 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000644532389 461973597 /nfs/dbraw/zinc/97/35/97/461973597.db2.gz CWWKTUAPZKKLHQ-LJQANCHMSA-N 2 0 344.524 3.153 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648150760 461989553 /nfs/dbraw/zinc/98/95/53/461989553.db2.gz ULWGCXGHGZPXOQ-KRWDZBQOSA-N 2 0 337.895 3.063 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644603673 462006085 /nfs/dbraw/zinc/00/60/85/462006085.db2.gz PZMYTAIGWSFHSV-MRXNPFEDSA-N 2 0 335.467 3.112 20 0 EGADRP CC1(C)CC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC(C)(C)[NH2+]1 ZINC000657292050 462021616 /nfs/dbraw/zinc/02/16/16/462021616.db2.gz CVOKFPSWIZQXDN-SFHVURJKSA-N 2 0 332.488 3.253 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657310343 462033977 /nfs/dbraw/zinc/03/39/77/462033977.db2.gz CCJFZPBFOYJOOL-GHTZIAJQSA-N 2 0 346.515 3.456 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000657317516 462040792 /nfs/dbraw/zinc/04/07/92/462040792.db2.gz YKLFVQYOVYVUIX-QZTJIDSGSA-N 2 0 334.504 3.312 20 0 EGADRP CCC1(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCOCC1 ZINC000657613756 462203467 /nfs/dbraw/zinc/20/34/67/462203467.db2.gz QXWXCJOVEJUKFU-UHFFFAOYSA-N 2 0 331.504 3.090 20 0 EGADRP COc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1F ZINC000657612614 462204620 /nfs/dbraw/zinc/20/46/20/462204620.db2.gz BEUZTXGMZGRQPR-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681795 462211048 /nfs/dbraw/zinc/21/10/48/462211048.db2.gz RNSDIWLAWNKJDE-SFHVURJKSA-N 2 0 329.488 3.409 20 0 EGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000667687670 462214877 /nfs/dbraw/zinc/21/48/77/462214877.db2.gz UCHFIFFSFZLIJU-MRXNPFEDSA-N 2 0 335.455 3.152 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727633 462233371 /nfs/dbraw/zinc/23/33/71/462233371.db2.gz DJNAKDNSOQJVQG-OAHLLOKOSA-N 2 0 332.492 3.167 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731056 462236201 /nfs/dbraw/zinc/23/62/01/462236201.db2.gz LDKQCIKXKGWCHL-HUUCEWRRSA-N 2 0 332.492 3.023 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667733452 462237297 /nfs/dbraw/zinc/23/72/97/462237297.db2.gz FFNQMVMDAADDJP-UHFFFAOYSA-N 2 0 332.492 3.265 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657836987 462289569 /nfs/dbraw/zinc/28/95/69/462289569.db2.gz WOAVJIGWBRFFBK-HNNXBMFYSA-N 2 0 340.462 3.088 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000657872729 462304893 /nfs/dbraw/zinc/30/48/93/462304893.db2.gz PEUWTGASIUTANZ-LJQANCHMSA-N 2 0 337.939 3.278 20 0 EGADRP CC[NH+](CC)CCN(CCc1cncn1C)Cc1ccc(Cl)cc1 ZINC000661575782 462316038 /nfs/dbraw/zinc/31/60/38/462316038.db2.gz MBFMMVGGHBBOPP-UHFFFAOYSA-N 2 0 348.922 3.460 20 0 EGADRP CSc1ccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000645508846 462352991 /nfs/dbraw/zinc/35/29/91/462352991.db2.gz QHAVHCBYPWJRLA-DNVCBOLYSA-N 2 0 335.561 3.331 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000658092963 462380672 /nfs/dbraw/zinc/38/06/72/462380672.db2.gz SOVIMQTYJRLPPY-HOJAQTOUSA-N 2 0 329.532 3.359 20 0 EGADRP COc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000665294543 462388915 /nfs/dbraw/zinc/38/89/15/462388915.db2.gz QQEDAADQOJUEHL-WIYYLYMNSA-N 2 0 338.451 3.349 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000665294338 462389309 /nfs/dbraw/zinc/38/93/09/462389309.db2.gz MTDRMAFGDDMXKY-DZGCQCFKSA-N 2 0 346.862 3.110 20 0 EGADRP COC1([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000658166501 462414470 /nfs/dbraw/zinc/41/44/70/462414470.db2.gz VKGCGSUTAGWLHT-QGZVFWFLSA-N 2 0 331.504 3.231 20 0 EGADRP C[C@@H](CCc1ccco1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166798 462414500 /nfs/dbraw/zinc/41/45/00/462414500.db2.gz PBDQZMZYGQZBMZ-KRWDZBQOSA-N 2 0 327.472 3.498 20 0 EGADRP CN(C(=O)CC[N@H+](C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000640532600 462431461 /nfs/dbraw/zinc/43/14/61/462431461.db2.gz HAHBBCQTQUTJRB-UHFFFAOYSA-N 2 0 331.504 3.237 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140371 462447347 /nfs/dbraw/zinc/44/73/47/462447347.db2.gz MIUVXGUXMPPQQB-ZACQAIPSSA-N 2 0 348.487 3.380 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000649293874 462469010 /nfs/dbraw/zinc/46/90/10/462469010.db2.gz NSGDYPDFZYMPRI-KRWDZBQOSA-N 2 0 337.895 3.111 20 0 EGADRP CO[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000658314285 462474117 /nfs/dbraw/zinc/47/41/17/462474117.db2.gz HRLGODUMRGTDPB-OXQOHEQNSA-N 2 0 334.504 3.483 20 0 EGADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000658354079 462487771 /nfs/dbraw/zinc/48/77/71/462487771.db2.gz WRBFEZGRPGCCFY-OALUTQOASA-N 2 0 330.520 3.158 20 0 EGADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103430 462518808 /nfs/dbraw/zinc/51/88/08/462518808.db2.gz FVZQECVOWDOYCU-CQSZACIVSA-N 2 0 340.414 3.146 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000155118924 533841618 /nfs/dbraw/zinc/84/16/18/533841618.db2.gz IYUIDSWDAMLGID-STQMWFEESA-N 2 0 330.303 3.280 20 0 EGADRP C[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181703984 533895718 /nfs/dbraw/zinc/89/57/18/533895718.db2.gz LLKMTRFWKNUDCL-KBPBESRZSA-N 2 0 335.879 3.373 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177969181 534446985 /nfs/dbraw/zinc/44/69/85/534446985.db2.gz OCIXGJFOVCRRSQ-LVCYWYKZSA-N 2 0 329.532 3.012 20 0 EGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1cccc(OC)c1 ZINC000191459338 528451939 /nfs/dbraw/zinc/45/19/39/528451939.db2.gz UHVCTJGLDTZPER-LJQANCHMSA-N 2 0 347.547 3.494 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)N1CC[NH+](C)CC1 ZINC000177850957 529013672 /nfs/dbraw/zinc/01/36/72/529013672.db2.gz ZKRZKMATNZWQAI-UWJYYQICSA-N 2 0 340.515 3.157 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154532600 529143732 /nfs/dbraw/zinc/14/37/32/529143732.db2.gz QHZBUAXUNYNISW-IBGZPJMESA-N 2 0 335.923 3.335 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000246736153 535214266 /nfs/dbraw/zinc/21/42/66/535214266.db2.gz QETBHJSQMWVEPY-BZSNNMDCSA-N 2 0 337.552 3.218 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000236638960 535280909 /nfs/dbraw/zinc/28/09/09/535280909.db2.gz PJMJQTUGNXWUIT-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000338382733 535602799 /nfs/dbraw/zinc/60/27/99/535602799.db2.gz BCWKXPDBSAVVFO-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000338152960 535602810 /nfs/dbraw/zinc/60/28/10/535602810.db2.gz ZYBNTZCLEKDLLO-QZTJIDSGSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1)C1CC1 ZINC000338040631 535782565 /nfs/dbraw/zinc/78/25/65/535782565.db2.gz COIBWORQLDBOEI-UHFFFAOYSA-N 2 0 343.515 3.274 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1F ZINC000363786146 535808403 /nfs/dbraw/zinc/80/84/03/535808403.db2.gz QBAUVZMENPGTPI-DNVCBOLYSA-N 2 0 337.458 3.174 20 0 EGADRP CCn1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350513372 536053811 /nfs/dbraw/zinc/05/38/11/536053811.db2.gz PFJIZCMIKSKGPX-UXHICEINSA-N 2 0 326.488 3.075 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3sccc3Cl)CC2)CC1 ZINC000193071317 536339631 /nfs/dbraw/zinc/33/96/31/536339631.db2.gz FBRCLXNIGOUUTD-UHFFFAOYSA-N 2 0 327.925 3.050 20 0 EGADRP C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)C1CC[NH+](C)CC1 ZINC000090044608 546653026 /nfs/dbraw/zinc/65/30/26/546653026.db2.gz NMMLRDRTTMPJGJ-AWEZNQCLSA-N 2 0 330.501 3.068 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133100693 546817562 /nfs/dbraw/zinc/81/75/62/546817562.db2.gz BRPIUMZYUSLKQE-IERDGZPVSA-N 2 0 344.499 3.163 20 0 EGADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C3CC[NH+](C)CC3)ccc2NC1=O ZINC000155500684 546902833 /nfs/dbraw/zinc/90/28/33/546902833.db2.gz NWMBJQIBJWFOPH-DEYYWGMASA-N 2 0 345.487 3.177 20 0 EGADRP Cc1ccccc1CN1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000162162652 546963962 /nfs/dbraw/zinc/96/39/62/546963962.db2.gz SSBMHUQZMGARPT-SFHVURJKSA-N 2 0 329.532 3.279 20 0 EGADRP CCC[NH+]1CCC(NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000163028270 546969717 /nfs/dbraw/zinc/96/97/17/546969717.db2.gz GFCCDTINSWGFHQ-UHFFFAOYSA-N 2 0 339.593 3.202 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000165990013 546988000 /nfs/dbraw/zinc/98/80/00/546988000.db2.gz RYKKWGIZDZWRRB-SBHAEUEKSA-N 2 0 343.515 3.049 20 0 EGADRP CCc1nn(C)cc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000180633620 547059342 /nfs/dbraw/zinc/05/93/42/547059342.db2.gz CKUYXARJOXYFOL-KRWDZBQOSA-N 2 0 332.536 3.459 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000248166064 547296607 /nfs/dbraw/zinc/29/66/07/547296607.db2.gz SZTPRZXVLIYSJT-WMLDXEAASA-N 2 0 338.492 3.189 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310894535 547461314 /nfs/dbraw/zinc/46/13/14/547461314.db2.gz ZXHIZEQIWIZAEJ-IHPCNDPISA-N 2 0 345.531 3.024 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000339250083 547573146 /nfs/dbraw/zinc/57/31/46/547573146.db2.gz VRZZVISGNPJCDL-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP COC[C@@H]1CCCC[NH+]([C@H](C)CC[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000342573000 547595810 /nfs/dbraw/zinc/59/58/10/547595810.db2.gz UBBBDRDTJUMPEO-VAMGGRTRSA-N 2 0 340.552 3.262 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383508326 547821418 /nfs/dbraw/zinc/82/14/18/547821418.db2.gz KQZYVBBTRPMZRS-BBTUJRGHSA-N 3 0 329.532 3.217 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCOCCOCc2ccccc2)c2ccccc21 ZINC000390469724 547828076 /nfs/dbraw/zinc/82/80/76/547828076.db2.gz BMQDAXBGTZBDCH-LEWJYISDSA-N 2 0 340.467 3.344 20 0 EGADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccncc1 ZINC000414929683 547861054 /nfs/dbraw/zinc/86/10/54/547861054.db2.gz RWXRPTHNVDDAKB-ROUUACIJSA-N 2 0 341.455 3.029 20 0 EGADRP COc1ccc(OCc2nc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414924036 547861877 /nfs/dbraw/zinc/86/18/77/547861877.db2.gz JIEUCTYBMJXWLL-ZIAGYGMSSA-N 2 0 347.484 3.090 20 0 EGADRP Cc1cccc(CCC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000671724254 548343629 /nfs/dbraw/zinc/34/36/29/548343629.db2.gz FSWXOJWDLVUKMJ-UHFFFAOYSA-N 2 0 327.472 3.053 20 0 EGADRP C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000674245185 548710405 /nfs/dbraw/zinc/71/04/05/548710405.db2.gz BEXMBGQPNOVYRM-INIZCTEOSA-N 2 0 331.504 3.017 20 0 EGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCCO2 ZINC000675742461 548971667 /nfs/dbraw/zinc/97/16/67/548971667.db2.gz RBRACDNYMOVIDC-LJQANCHMSA-N 2 0 345.531 3.133 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC000675784217 548980917 /nfs/dbraw/zinc/98/09/17/548980917.db2.gz WNRFTNKCZYIWIZ-KHYOSLBOSA-N 2 0 336.907 3.286 20 0 EGADRP COc1ccccc1N1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000675793823 548983194 /nfs/dbraw/zinc/98/31/94/548983194.db2.gz ZPUQBSXQNWKLBM-UHFFFAOYSA-N 2 0 331.504 3.126 20 0 EGADRP CCCc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc2[nH+]1 ZINC000676877257 549170381 /nfs/dbraw/zinc/17/03/81/549170381.db2.gz WWBKSQLFNUNUNO-FPOVZHCZSA-N 2 0 339.483 3.223 20 0 EGADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678122390 549401979 /nfs/dbraw/zinc/40/19/79/549401979.db2.gz MZRWFJQRWYNJTM-IEBWSBKVSA-N 2 0 332.488 3.161 20 0 EGADRP CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678336934 549471898 /nfs/dbraw/zinc/47/18/98/549471898.db2.gz NTJAQONJYJPJSM-OAQYLSRUSA-N 2 0 346.515 3.408 20 0 EGADRP CCc1nn(C)cc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000678361214 549476451 /nfs/dbraw/zinc/47/64/51/549476451.db2.gz SPXKSBLYUGXCTI-MJGOQNOKSA-N 2 0 340.515 3.373 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@@H](C)C1 ZINC000678585904 549524211 /nfs/dbraw/zinc/52/42/11/549524211.db2.gz PXQMUDIZQRDYMU-YYWHXJBOSA-N 2 0 346.515 3.027 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(C)C)CC2)[C@@H](C)C1 ZINC000678604165 549529676 /nfs/dbraw/zinc/52/96/76/549529676.db2.gz DLPUKIVNBZBQCE-FVELJTHGSA-N 2 0 340.552 3.449 20 0 EGADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)ccc1Cl ZINC000678608953 549531543 /nfs/dbraw/zinc/53/15/43/549531543.db2.gz DHMOUJOGYXRYCE-ILXRZTDVSA-N 2 0 337.870 3.274 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000679440049 549710509 /nfs/dbraw/zinc/71/05/09/549710509.db2.gz JDMCEGIGKZIDPH-UHFFFAOYSA-N 2 0 325.456 3.290 20 0 EGADRP CCCOc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000679437867 549710673 /nfs/dbraw/zinc/71/06/73/549710673.db2.gz LZXPSOPZWRIFLI-UHFFFAOYSA-N 2 0 341.455 3.071 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000679484701 549717712 /nfs/dbraw/zinc/71/77/12/549717712.db2.gz UYCXBVQKDSJCMJ-UHFFFAOYSA-N 2 0 346.906 3.406 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000680432282 549865614 /nfs/dbraw/zinc/86/56/14/549865614.db2.gz VPCNCONGGZJSDM-TWGQIWQCSA-N 2 0 327.516 3.049 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4c(Cl)cccc43)C2)CC1 ZINC000680465031 549868520 /nfs/dbraw/zinc/86/85/20/549868520.db2.gz NKESYNYNZCUCIE-YWZLYKJASA-N 2 0 347.934 3.476 20 0 EGADRP C[C@@H]1SCC[C@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000682161355 550079295 /nfs/dbraw/zinc/07/92/95/550079295.db2.gz RHNWWYNWHKHKLC-XJKSGUPXSA-N 2 0 339.936 3.075 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000683229446 550205990 /nfs/dbraw/zinc/20/59/90/550205990.db2.gz GCASSKGKKDOZJK-DQLDELGASA-N 2 0 348.506 3.219 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683771794 550259971 /nfs/dbraw/zinc/25/99/71/550259971.db2.gz OZLLJGVCMYZXDG-LEWJYISDSA-N 2 0 339.483 3.092 20 0 EGADRP Oc1cccc2c(N3CC[NH+](CCc4cccs4)CC3)cc[nH+]c12 ZINC000684570305 550344058 /nfs/dbraw/zinc/34/40/58/550344058.db2.gz QJRBKEOLRJTHEM-UHFFFAOYSA-N 2 0 339.464 3.367 20 0 EGADRP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685442215 550417107 /nfs/dbraw/zinc/41/71/07/550417107.db2.gz HZGWFWPXMHZCPC-IEBWSBKVSA-N 2 0 334.504 3.143 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000685455673 550418287 /nfs/dbraw/zinc/41/82/87/550418287.db2.gz HSCKSPWALXPVDV-CIAFKFPVSA-N 2 0 341.543 3.217 20 0 EGADRP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000685849216 550448100 /nfs/dbraw/zinc/44/81/00/550448100.db2.gz OLZYFUAICCSLNI-GOSISDBHSA-N 2 0 334.504 3.407 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734133125 575445498 /nfs/dbraw/zinc/44/54/98/575445498.db2.gz ASAZMKPIXYTVJI-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397936577 1297707052 /nfs/dbraw/zinc/70/70/52/1297707052.db2.gz ODUKZAZMOPFJBS-HOTGVXAUSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000691785568 1298138106 /nfs/dbraw/zinc/13/81/06/1298138106.db2.gz LCWGPWNBAIMIET-UHFFFAOYSA-N 2 0 333.476 3.465 20 0 EGADRP CC(C)(C)OC(=O)N1CCC(CC[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000695193515 1298157503 /nfs/dbraw/zinc/15/75/03/1298157503.db2.gz RPBSIJODJSIVPY-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP CC(C)(C)OC(=O)NCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000698111826 1298167595 /nfs/dbraw/zinc/16/75/95/1298167595.db2.gz KUCGIPXODUOVBF-IRXDYDNUSA-N 2 0 339.524 3.288 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccsc3)cc2)CC1 ZINC000061070009 1291959583 /nfs/dbraw/zinc/95/95/83/1291959583.db2.gz KJYWNBOZTUHUAX-UHFFFAOYSA-N 2 0 329.513 3.175 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000069447356 1292242371 /nfs/dbraw/zinc/24/23/71/1292242371.db2.gz NAOPQLRZWBLVTB-IBGZPJMESA-N 2 0 329.488 3.485 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000069785325 1292252609 /nfs/dbraw/zinc/25/26/09/1292252609.db2.gz FTRVLFRRKQBOOR-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP O=C1O[C@@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)CN1C1CCCCC1 ZINC000827930280 1292404128 /nfs/dbraw/zinc/40/41/28/1292404128.db2.gz JSQHBZJNGYIUBM-HKUYNNGSSA-N 2 0 349.519 3.090 20 0 EGADRP COc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1F ZINC000075809365 1292412185 /nfs/dbraw/zinc/41/21/85/1292412185.db2.gz SFNRKJJYBVQIOV-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CCCCC[NH3+])c2)CC1 ZINC000831502292 1292872732 /nfs/dbraw/zinc/87/27/32/1292872732.db2.gz KUUKLVIJQPWYSI-UHFFFAOYSA-N 2 0 331.504 3.419 20 0 EGADRP COc1cccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000121156109 1293357993 /nfs/dbraw/zinc/35/79/93/1293357993.db2.gz IEOCEGQGZWTYIH-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000121238092 1293361278 /nfs/dbraw/zinc/36/12/78/1293361278.db2.gz OFDIINKCUJYILJ-MSOLQXFVSA-N 2 0 333.520 3.010 20 0 EGADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000121588946 1293379455 /nfs/dbraw/zinc/37/94/55/1293379455.db2.gz JZUXYPBVMKDIEU-HXUWFJFHSA-N 2 0 334.479 3.447 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000130235755 1293649747 /nfs/dbraw/zinc/64/97/47/1293649747.db2.gz PPBPJDSKKBEHBN-UAGQMJEPSA-N 2 0 339.524 3.142 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132850440 1293730317 /nfs/dbraw/zinc/73/03/17/1293730317.db2.gz PCXGGWWCLUTSNP-HKUYNNGSSA-N 2 0 346.515 3.107 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000133549869 1293746836 /nfs/dbraw/zinc/74/68/36/1293746836.db2.gz XJQLLCYXLUTYCD-HXUWFJFHSA-N 2 0 327.472 3.195 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000133549657 1293746876 /nfs/dbraw/zinc/74/68/76/1293746876.db2.gz XJQLLCYXLUTYCD-FQEVSTJZSA-N 2 0 327.472 3.195 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cncs3)cc2)C[C@H](C)O1 ZINC000135846855 1293802447 /nfs/dbraw/zinc/80/24/47/1293802447.db2.gz GUMXRDJCPFVGCC-GASCZTMLSA-N 2 0 331.485 3.042 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000136589542 1293817765 /nfs/dbraw/zinc/81/77/65/1293817765.db2.gz GJSOHVUCAARPOB-SFTDATJTSA-N 2 0 330.516 3.469 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Br)ccc1F ZINC000150981042 1293901886 /nfs/dbraw/zinc/90/18/86/1293901886.db2.gz CNPRDTRGXTWEIQ-CQSZACIVSA-N 2 0 347.272 3.035 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000155381632 1294094820 /nfs/dbraw/zinc/09/48/20/1294094820.db2.gz VGYULZKDGASYNK-HDICACEKSA-N 2 0 339.483 3.289 20 0 EGADRP c1nc2cnccn2c1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000156721285 1294157403 /nfs/dbraw/zinc/15/74/03/1294157403.db2.gz QCBRAIHNEOKUIK-UHFFFAOYSA-N 2 0 349.482 3.395 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)cc1C[NH+]1CCCCC1 ZINC000182564732 1295060138 /nfs/dbraw/zinc/06/01/38/1295060138.db2.gz ABMSZMCBRJKZQU-MRXNPFEDSA-N 2 0 342.487 3.265 20 0 EGADRP CC(=O)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185767790 1295285111 /nfs/dbraw/zinc/28/51/11/1295285111.db2.gz DHNSDLFEBGDRQZ-YJBOKZPZSA-N 2 0 330.472 3.355 20 0 EGADRP CC[NH+](CC)CCCN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000189929624 1295552114 /nfs/dbraw/zinc/55/21/14/1295552114.db2.gz GRNOEPSFSXBPSC-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194424806 1295976315 /nfs/dbraw/zinc/97/63/15/1295976315.db2.gz WALRGDLDASAVOL-AEFFLSMTSA-N 2 0 347.478 3.311 20 0 EGADRP CC(C)[NH+]1CCC(NCc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000236602620 1296192161 /nfs/dbraw/zinc/19/21/61/1296192161.db2.gz KFSNSTIASNUCGE-HXUWFJFHSA-N 2 0 332.488 3.207 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N1CC[NH+](C)CC1 ZINC000236695830 1296196922 /nfs/dbraw/zinc/19/69/22/1296196922.db2.gz IWGMAPSRUOOFDS-HXUWFJFHSA-N 2 0 331.548 3.346 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3cnc4ccccn34)CC2)c1 ZINC000236743101 1296201595 /nfs/dbraw/zinc/20/15/95/1296201595.db2.gz KPUJULFMAOWCQJ-UHFFFAOYSA-N 2 0 340.496 3.398 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000237195600 1296225209 /nfs/dbraw/zinc/22/52/09/1296225209.db2.gz QFQSKEXSVIQLBG-UHFFFAOYSA-N 2 0 334.847 3.276 20 0 EGADRP C[C@H]1C[C@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000237566744 1296249693 /nfs/dbraw/zinc/24/96/93/1296249693.db2.gz UUIFRTSUGGDXND-HKUYNNGSSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000245584721 1296316637 /nfs/dbraw/zinc/31/66/37/1296316637.db2.gz DAZMZEUSIFWSKV-QLFBSQMISA-N 2 0 325.884 3.275 20 0 EGADRP CC1(C)CCc2onc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c2C1 ZINC000872145607 1296766554 /nfs/dbraw/zinc/76/65/54/1296766554.db2.gz UYJVGGZOSDUAEZ-MRXNPFEDSA-N 2 0 331.504 3.401 20 0 EGADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000302099881 1296797426 /nfs/dbraw/zinc/79/74/26/1296797426.db2.gz BIFRPZAIEFYGJU-CVEARBPZSA-N 2 0 339.524 3.129 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000872292177 1296898822 /nfs/dbraw/zinc/89/88/22/1296898822.db2.gz MUEZKEHTUGOVPY-RBUKOAKNSA-N 2 0 329.488 3.171 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000304788368 1296944117 /nfs/dbraw/zinc/94/41/17/1296944117.db2.gz AYRPCAOFBWZMGK-IRXDYDNUSA-N 2 0 341.540 3.486 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095178 1297089238 /nfs/dbraw/zinc/08/92/38/1297089238.db2.gz UOUNZMUEQKCEKE-NQIIRXRSSA-N 3 0 329.532 3.219 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000310191954 1297091095 /nfs/dbraw/zinc/09/10/95/1297091095.db2.gz QGEUZGOWLNEUHI-WIYYLYMNSA-N 2 0 329.532 3.359 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000311199335 1297106284 /nfs/dbraw/zinc/10/62/84/1297106284.db2.gz JRUVVWLNRSVPTO-JXFKEZNVSA-N 2 0 346.421 3.110 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)[C@H](n2cncn2)C1 ZINC000340469821 1297313268 /nfs/dbraw/zinc/31/32/68/1297313268.db2.gz MJDBFTWWXJWSCK-BHIYHBOVSA-N 2 0 333.524 3.252 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340535629 1297315149 /nfs/dbraw/zinc/31/51/49/1297315149.db2.gz VNZRPNJLKAWSDY-LMCOJAPRSA-N 2 0 345.535 3.395 20 0 EGADRP OC[C@H](C1CC1)[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873209270 1297353423 /nfs/dbraw/zinc/35/34/23/1297353423.db2.gz JEQQLXVIMTVVCZ-LJQANCHMSA-N 2 0 342.508 3.167 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260208 1297395487 /nfs/dbraw/zinc/39/54/87/1297395487.db2.gz VOCIMNQUFLFTNR-RQUKQETFSA-N 3 0 327.516 3.017 20 0 EGADRP CCC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC)cc1 ZINC000873289352 1297410786 /nfs/dbraw/zinc/41/07/86/1297410786.db2.gz HYGMHXZIKRCZOW-OALUTQOASA-N 2 0 332.488 3.285 20 0 EGADRP c1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291337 1297413054 /nfs/dbraw/zinc/41/30/54/1297413054.db2.gz JYGBEPHMBVVWGV-SLFFLAALSA-N 2 0 328.500 3.461 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000873292891 1297414580 /nfs/dbraw/zinc/41/45/80/1297414580.db2.gz WEUHWOSTNQWUJS-DZGCQCFKSA-N 2 0 338.492 3.357 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293029 1297416038 /nfs/dbraw/zinc/41/60/38/1297416038.db2.gz XCEWGCFTXKHAAF-RTBURBONSA-N 2 0 334.479 3.141 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cnc2ccsc2c1 ZINC000873293288 1297416184 /nfs/dbraw/zinc/41/61/84/1297416184.db2.gz YUJKQJPUAPMCHE-DZGCQCFKSA-N 2 0 331.485 3.106 20 0 EGADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000379616586 1297536721 /nfs/dbraw/zinc/53/67/21/1297536721.db2.gz CPKPLIQMBQKDSY-JXFKEZNVSA-N 2 0 330.447 3.359 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000382501162 1297560271 /nfs/dbraw/zinc/56/02/71/1297560271.db2.gz PPBPJDSKKBEHBN-BHYGNILZSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000390087979 1297619648 /nfs/dbraw/zinc/61/96/48/1297619648.db2.gz BCCJVURPIFVCHZ-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000390848501 1297634679 /nfs/dbraw/zinc/63/46/79/1297634679.db2.gz GQNOJMSBLMLHKF-INIZCTEOSA-N 2 0 330.394 3.060 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400468538 1297730254 /nfs/dbraw/zinc/73/02/54/1297730254.db2.gz WXPFIVPYFRGUIM-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444800280 1297859570 /nfs/dbraw/zinc/85/95/70/1297859570.db2.gz JAKSFNONBJBDAB-STQMWFEESA-N 2 0 343.456 3.472 20 0 EGADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000687673515 1298119718 /nfs/dbraw/zinc/11/97/18/1298119718.db2.gz YMQYKYRWRSRLTB-QBPKDAKJSA-N 2 0 339.524 3.190 20 0 EGADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000687673510 1298120233 /nfs/dbraw/zinc/12/02/33/1298120233.db2.gz YMQYKYRWRSRLTB-LUKYLMHMSA-N 2 0 339.524 3.190 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000693860822 1298152618 /nfs/dbraw/zinc/15/26/18/1298152618.db2.gz GPSSXXNMHKZLRQ-CVEARBPZSA-N 2 0 339.524 3.238 20 0 EGADRP CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000699595030 1298170792 /nfs/dbraw/zinc/17/07/92/1298170792.db2.gz NFRZQHOCXSBPNZ-HZPDHXFCSA-N 2 0 337.508 3.040 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700805369 1298179614 /nfs/dbraw/zinc/17/96/14/1298179614.db2.gz SHZVTBPWZOIEQO-DLBZAZTESA-N 2 0 341.540 3.105 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000708557548 1298243629 /nfs/dbraw/zinc/24/36/29/1298243629.db2.gz XPBDORMWLGOKDM-WMZOPIPTSA-N 2 0 334.467 3.421 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2CC3(CCCC3)CC2=O)CC1 ZINC000747458012 1298786107 /nfs/dbraw/zinc/78/61/07/1298786107.db2.gz ZGNHSEQYBUKEAU-UHFFFAOYSA-N 2 0 335.536 3.181 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)cc2)C1 ZINC000876719713 1298937461 /nfs/dbraw/zinc/93/74/61/1298937461.db2.gz SSRKHOCSLVKTNH-BSIFCXSSSA-N 2 0 341.499 3.389 20 0 EGADRP [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1)C1CCCC1 ZINC000877445298 1299305064 /nfs/dbraw/zinc/30/50/64/1299305064.db2.gz SQJIXAVJCFKKQN-QRWLVFNGSA-N 2 0 341.499 3.050 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccnc3Br)C2)CC1 ZINC000877528815 1299371471 /nfs/dbraw/zinc/37/14/71/1299371471.db2.gz LIRDBIUZCSIALL-CQSZACIVSA-N 2 0 338.293 3.008 20 0 EGADRP COc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(OC)c1OC ZINC000877684972 1299477980 /nfs/dbraw/zinc/47/79/80/1299477980.db2.gz GINZZJMBAURWNN-UHFFFAOYSA-N 2 0 348.487 3.020 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc3ccc(Cl)cn13)CC2 ZINC000877683924 1299478194 /nfs/dbraw/zinc/47/81/94/1299478194.db2.gz BOXLPKRJVLYTBT-UHFFFAOYSA-N 2 0 332.879 3.296 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)cc1 ZINC000751012516 1299497181 /nfs/dbraw/zinc/49/71/81/1299497181.db2.gz VNDBNLPDPDWJSJ-SFHVURJKSA-N 2 0 348.560 3.040 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](Cc3cc4ccccc4s3)CC2)CC1 ZINC000877747633 1299524933 /nfs/dbraw/zinc/52/49/33/1299524933.db2.gz VLISGNVORASQCH-UHFFFAOYSA-N 2 0 329.513 3.113 20 0 EGADRP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000878126186 1299763612 /nfs/dbraw/zinc/76/36/12/1299763612.db2.gz UKUOWFIBVVSTET-HKUYNNGSSA-N 2 0 331.504 3.010 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000753769223 1300017224 /nfs/dbraw/zinc/01/72/24/1300017224.db2.gz KDTIZJSTURVZCY-IAGOWNOFSA-N 2 0 339.524 3.240 20 0 EGADRP O[C@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Cl ZINC000878748595 1300173100 /nfs/dbraw/zinc/17/31/00/1300173100.db2.gz YCSPOYWGOCGKCI-GOSISDBHSA-N 2 0 349.837 3.120 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247424 1300451636 /nfs/dbraw/zinc/45/16/36/1300451636.db2.gz CVHPMIOOQXGNHD-UHFFFAOYSA-N 2 0 349.906 3.395 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](CC1CCN(C(=O)C(C)(C)C)CC1)CC2 ZINC000879250002 1300454481 /nfs/dbraw/zinc/45/44/81/1300454481.db2.gz JJXBCXKXPDDAFZ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP FC[C@@H]1CCC[N@H+](Cc2cncc(C[NH+]3CCC[C@H](CF)C3)c2)C1 ZINC000880238080 1300998804 /nfs/dbraw/zinc/99/88/04/1300998804.db2.gz NVNCKMVXJRVUBU-CALCHBBNSA-N 2 0 337.458 3.445 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000883084866 1302240755 /nfs/dbraw/zinc/24/07/55/1302240755.db2.gz CZJFTLUKPOMNQH-DZGCQCFKSA-N 2 0 330.428 3.129 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)CC)[C@@H](C)C1 ZINC000765851103 1302340026 /nfs/dbraw/zinc/34/00/26/1302340026.db2.gz YEYURVYJGKDVDQ-AZUAARDMSA-N 2 0 347.547 3.369 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000884207252 1302771679 /nfs/dbraw/zinc/77/16/79/1302771679.db2.gz QJUMUBYUZBYQKG-SFHVURJKSA-N 2 0 349.544 3.116 20 0 EGADRP CC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)C1 ZINC000770688419 1303306226 /nfs/dbraw/zinc/30/62/26/1303306226.db2.gz YUQPXUDDCAHILN-QGZVFWFLSA-N 2 0 335.536 3.036 20 0 EGADRP CCC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)C1 ZINC000770686123 1303306595 /nfs/dbraw/zinc/30/65/95/1303306595.db2.gz SINKOMAZMZGXBF-FQEVSTJZSA-N 2 0 349.563 3.427 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000886521227 1303485691 /nfs/dbraw/zinc/48/56/91/1303485691.db2.gz XAXHNXPEGDARBP-UHFFFAOYSA-N 2 0 347.469 3.400 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000886538646 1303491581 /nfs/dbraw/zinc/49/15/81/1303491581.db2.gz LPOGNDOZFVOUFY-OHTSDLOESA-N 2 0 346.494 3.186 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000886541152 1303492440 /nfs/dbraw/zinc/49/24/40/1303492440.db2.gz RBDFDYQOJISTGQ-OBXNSHGQSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000886545648 1303494788 /nfs/dbraw/zinc/49/47/88/1303494788.db2.gz PLMMQVSIAPYZET-DYESRHJHSA-N 2 0 343.515 3.059 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(O)CCC(F)(F)CC2)CC1 ZINC000886639369 1303535289 /nfs/dbraw/zinc/53/52/89/1303535289.db2.gz BQHOBQYAGAAMKE-UHFFFAOYSA-N 2 0 330.463 3.314 20 0 EGADRP C[C@H](COCc1ccccc1)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000886839402 1303617573 /nfs/dbraw/zinc/61/75/73/1303617573.db2.gz DITRWMBNQDWLIL-YYWHXJBOSA-N 2 0 346.515 3.058 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC(CC)([NH+]3CCC3)CC2)c1 ZINC000886964895 1303646119 /nfs/dbraw/zinc/64/61/19/1303646119.db2.gz JHJULGKHUBFQKB-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775374902 1303949017 /nfs/dbraw/zinc/94/90/17/1303949017.db2.gz HOZMTKQJLVJWKS-NCOADZHNSA-N 2 0 328.591 3.468 20 0 EGADRP C[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC[N@@H+]1C ZINC000777675980 1304333510 /nfs/dbraw/zinc/33/35/10/1304333510.db2.gz RIWRTEOZBXQORA-NVXWUHKLSA-N 2 0 348.510 3.251 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000779003698 1304517423 /nfs/dbraw/zinc/51/74/23/1304517423.db2.gz YLUPLCRXCTXNRF-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000781198696 1304788611 /nfs/dbraw/zinc/78/86/11/1304788611.db2.gz DHRRGQWGBNRIMB-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOC4CCC4)[C@H]3C2)cc1 ZINC000781420793 1304825499 /nfs/dbraw/zinc/82/54/99/1304825499.db2.gz FFGLESAUTFIVRE-SESVDKBCSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccnc(Cl)c1 ZINC000781922398 1304892534 /nfs/dbraw/zinc/89/25/34/1304892534.db2.gz HIIWHDQAZXSFMI-KDOFPFPSSA-N 2 0 345.874 3.152 20 0 EGADRP COc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C)CC2)c1 ZINC000891813422 1305176192 /nfs/dbraw/zinc/17/61/92/1305176192.db2.gz AUIMFMHHFBOAKG-HXUWFJFHSA-N 2 0 332.488 3.018 20 0 EGADRP O=C(NCCCCCCC[NH+]1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000787165242 1305698361 /nfs/dbraw/zinc/69/83/61/1305698361.db2.gz RFWGIAFMFIYRSL-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000787302648 1305729565 /nfs/dbraw/zinc/72/95/65/1305729565.db2.gz JPAAHOHJCNTEIR-HLAWJBBLSA-N 2 0 348.531 3.063 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000893226996 1305772194 /nfs/dbraw/zinc/77/21/94/1305772194.db2.gz VOMRONUMFCCSSW-NQIIRXRSSA-N 3 0 329.532 3.219 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000893488114 1305920958 /nfs/dbraw/zinc/92/09/58/1305920958.db2.gz RKBCVJDAGITBPX-TZIWHRDSSA-N 2 0 336.479 3.073 20 0 EGADRP COc1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000788474872 1305951227 /nfs/dbraw/zinc/95/12/27/1305951227.db2.gz KTCQSEOIEJQHMT-IBGZPJMESA-N 2 0 332.488 3.018 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000788481635 1305953641 /nfs/dbraw/zinc/95/36/41/1305953641.db2.gz HDPSPQFMKHCNLB-IBGZPJMESA-N 2 0 336.907 3.427 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000893971435 1306154796 /nfs/dbraw/zinc/15/47/96/1306154796.db2.gz DXHXCPOGHAVOHR-GFCCVEGCSA-N 2 0 334.851 3.382 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000894640115 1308995990 /nfs/dbraw/zinc/99/59/90/1308995990.db2.gz XKSQFIFBLOQFLB-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP Oc1cc(Cl)cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000895347004 1309291682 /nfs/dbraw/zinc/29/16/82/1309291682.db2.gz AIDXYXGPFQAULA-UHFFFAOYSA-N 2 0 345.874 3.442 20 0 EGADRP C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793192803 1309315564 /nfs/dbraw/zinc/31/55/64/1309315564.db2.gz TURWDHVGLYIOJJ-WMZOPIPTSA-N 2 0 349.434 3.402 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cc(C)nn2C)cc1 ZINC000793523492 1309394001 /nfs/dbraw/zinc/39/40/01/1309394001.db2.gz ILQQNFWKVUXDKB-QGZVFWFLSA-N 2 0 344.503 3.300 20 0 EGADRP OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccnc2cc(F)c(Cl)cc21 ZINC000897218715 1310225936 /nfs/dbraw/zinc/22/59/36/1310225936.db2.gz FVSNVAKOMPXENI-ROUUACIJSA-N 2 0 349.837 3.063 20 0 EGADRP CC(C)(C)[C@@]1(C[NH2+][C@H]2C[C@H](CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000897355203 1310304955 /nfs/dbraw/zinc/30/49/55/1310304955.db2.gz IOFOBUPFUMJYQL-SFHLNBCPSA-N 2 0 330.516 3.285 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC2(C)OCCO2)CC1 ZINC000798182558 1310314025 /nfs/dbraw/zinc/31/40/25/1310314025.db2.gz HFFQLBBATDNAQZ-UHFFFAOYSA-N 2 0 332.488 3.172 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000798956656 1310464022 /nfs/dbraw/zinc/46/40/22/1310464022.db2.gz IOGXENDSVGWWSM-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)c1)O[C@@H](C)C2 ZINC000798956905 1310464075 /nfs/dbraw/zinc/46/40/75/1310464075.db2.gz HHJKFXIGCCBVTM-INIZCTEOSA-N 2 0 344.499 3.326 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799014253 1310469519 /nfs/dbraw/zinc/46/95/19/1310469519.db2.gz FGXAAXNIKLNBGR-UWJYYQICSA-N 2 0 345.531 3.182 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)CC1 ZINC000799178098 1310499791 /nfs/dbraw/zinc/49/97/91/1310499791.db2.gz KMVWZFPNUDIEPL-UHFFFAOYSA-N 2 0 349.906 3.476 20 0 EGADRP OCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000799732215 1310608129 /nfs/dbraw/zinc/60/81/29/1310608129.db2.gz WHCCKTUBCFRIHH-FQEVSTJZSA-N 2 0 330.516 3.367 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000898703199 1310826651 /nfs/dbraw/zinc/82/66/51/1310826651.db2.gz HBAAHEBYVJPZDH-YQQQUEKLSA-N 2 0 331.504 3.444 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000839183093 1320889018 /nfs/dbraw/zinc/88/90/18/1320889018.db2.gz SXEJUSDEDFJKGR-XHSDSOJGSA-N 2 0 346.462 3.065 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857282813 1328526318 /nfs/dbraw/zinc/52/63/18/1328526318.db2.gz IHSALDWGAAUEQA-WOJBJXKFSA-N 2 0 343.515 3.051 20 0 EGADRP C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000857501768 1328542651 /nfs/dbraw/zinc/54/26/51/1328542651.db2.gz VFEKWZYASOVUMQ-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018990355 1316996162 /nfs/dbraw/zinc/99/61/62/1316996162.db2.gz HVYGEQQDBUSBFD-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001019241592 1317119541 /nfs/dbraw/zinc/11/95/41/1317119541.db2.gz MAJNVRZQERVKPO-FFZOFVMBSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[NH+](C)C ZINC000899671724 1317129026 /nfs/dbraw/zinc/12/90/26/1317129026.db2.gz ALIZIVGZGRDQBQ-GFCCVEGCSA-N 2 0 343.393 3.190 20 0 EGADRP CC(C)[NH+](Cc1cn(CC[N@H+](C)Cc2cccc(F)c2)nn1)C(C)C ZINC000899705893 1317136712 /nfs/dbraw/zinc/13/67/12/1317136712.db2.gz KOGVTSHVBBJIDU-UHFFFAOYSA-N 2 0 347.482 3.168 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001019274618 1317141039 /nfs/dbraw/zinc/14/10/39/1317141039.db2.gz IHXRDDFEOVHUMU-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP c1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)oc1C[NH+]1CCCCC1 ZINC000900016443 1317217923 /nfs/dbraw/zinc/21/79/23/1317217923.db2.gz OQROICQBMSTUOS-GOOCMWNKSA-N 2 0 342.443 3.314 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)cc1 ZINC001019518204 1317282759 /nfs/dbraw/zinc/28/27/59/1317282759.db2.gz BYCDSOLIZPXNIP-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C2)o1 ZINC001019855503 1317453030 /nfs/dbraw/zinc/45/30/30/1317453030.db2.gz FPTIYQTXJDNJFU-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000957595213 1317485620 /nfs/dbraw/zinc/48/56/20/1317485620.db2.gz FILPJYQTRDCHLV-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)CC1 ZINC000957628664 1317505422 /nfs/dbraw/zinc/50/54/22/1317505422.db2.gz WKSQBBDTIDXCGU-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001020144082 1317559417 /nfs/dbraw/zinc/55/94/17/1317559417.db2.gz PUYJDZGAIZMPFA-LEAZDLGRSA-N 2 0 343.515 3.166 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000902372077 1317569423 /nfs/dbraw/zinc/56/94/23/1317569423.db2.gz QVIMHGMHMZVXQP-CABCVRRESA-N 2 0 330.394 3.107 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001020214430 1317596290 /nfs/dbraw/zinc/59/62/90/1317596290.db2.gz STMINAKGVXDRIW-LEAZDLGRSA-N 2 0 343.515 3.167 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020213980 1317596444 /nfs/dbraw/zinc/59/64/44/1317596444.db2.gz CHWZVLPXVHSVLZ-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001020289265 1317628157 /nfs/dbraw/zinc/62/81/57/1317628157.db2.gz WHQPUYDHQBUYCI-LWYYNNOASA-N 2 0 345.531 3.131 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001020301319 1317635746 /nfs/dbraw/zinc/63/57/46/1317635746.db2.gz XNKIRCMITLDUKY-UFYCRDLUSA-N 2 0 343.515 3.031 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000957773040 1317637367 /nfs/dbraw/zinc/63/73/67/1317637367.db2.gz WCMMNIZGVBHDQM-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000957779778 1317643757 /nfs/dbraw/zinc/64/37/57/1317643757.db2.gz YNZXAPONZMJKQR-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP c1ccc2c(c1)CCN2CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903062709 1317645372 /nfs/dbraw/zinc/64/53/72/1317645372.db2.gz WEWSXUGAARYAAM-CTXDPNEZSA-N 2 0 325.500 3.187 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903084295 1317649233 /nfs/dbraw/zinc/64/92/33/1317649233.db2.gz WVVSOVGYKXZWKH-DJXYKJKZSA-N 2 0 342.483 3.484 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)ccc2c[nH+]cn21 ZINC001020335567 1317650542 /nfs/dbraw/zinc/65/05/42/1317650542.db2.gz FRZKLWBEXCZARL-QAQDUYKDSA-N 2 0 340.471 3.073 20 0 EGADRP c1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903098927 1317652958 /nfs/dbraw/zinc/65/29/58/1317652958.db2.gz VSMDGNWLHSVGOQ-FYHVPLJZSA-N 2 0 325.500 3.403 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)c1ccc(F)cc1 ZINC000903116275 1317655910 /nfs/dbraw/zinc/65/59/10/1317655910.db2.gz GBPJMZKZYAYGGK-MDMHHNQBSA-N 2 0 334.479 3.346 20 0 EGADRP Cc1ccccc1C1CC([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000903115161 1317656159 /nfs/dbraw/zinc/65/61/59/1317656159.db2.gz MAYQCQGMYQBFGL-NDYNZKDJSA-N 2 0 342.527 3.310 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000903115992 1317656460 /nfs/dbraw/zinc/65/64/60/1317656460.db2.gz FETSFUADVGHSEC-YNWKUBOOSA-N 2 0 330.516 3.434 20 0 EGADRP C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(Cl)c1 ZINC000903153227 1317663689 /nfs/dbraw/zinc/66/36/89/1317663689.db2.gz RBEVHTOJRJKWNG-DQXYTYHJSA-N 2 0 334.891 3.295 20 0 EGADRP FC(F)(F)CN1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903153822 1317664395 /nfs/dbraw/zinc/66/43/95/1317664395.db2.gz OFPYCNCGKHRJRV-ZXFUBFMLSA-N 2 0 345.453 3.008 20 0 EGADRP CCN1CCC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000903389454 1317694857 /nfs/dbraw/zinc/69/48/57/1317694857.db2.gz VMZOAEMBSADLSG-SOAGJPPSSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H](c1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506723 1317706371 /nfs/dbraw/zinc/70/63/71/1317706371.db2.gz XPBWJXNXXYPSJU-ZOCIIQOWSA-N 2 0 333.907 3.302 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506722 1317706847 /nfs/dbraw/zinc/70/68/47/1317706847.db2.gz XPBWJXNXXYPSJU-ZMYBRWDISA-N 2 0 333.907 3.302 20 0 EGADRP c1c2c(oc1-c1ccccc1)C[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903734672 1317726884 /nfs/dbraw/zinc/72/68/84/1317726884.db2.gz UUQBDCFGUHSIBP-GHTZIAJQSA-N 2 0 338.451 3.073 20 0 EGADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[C@H]1c1ccccc1 ZINC000903734951 1317727055 /nfs/dbraw/zinc/72/70/55/1317727055.db2.gz XVMLWJYZSLVEIM-GFOJFJKKSA-N 2 0 328.500 3.271 20 0 EGADRP CC(C)c1csc([C@@H]2CCC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739681 1317728293 /nfs/dbraw/zinc/72/82/93/1317728293.db2.gz NXXUTDDKRAIXRF-GJYPPUQNSA-N 2 0 349.544 3.215 20 0 EGADRP Cc1cccc(NC2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903739950 1317728598 /nfs/dbraw/zinc/72/85/98/1317728598.db2.gz BQVJEGNCFZHINW-HXUWFJFHSA-N 2 0 343.515 3.030 20 0 EGADRP CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778185 1317731905 /nfs/dbraw/zinc/73/19/05/1317731905.db2.gz KEXMDDHYZBSPLS-RIFZZMRRSA-N 2 0 332.463 3.162 20 0 EGADRP CCc1cccc(C)c1NC(=O)CN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812905 1317736176 /nfs/dbraw/zinc/73/61/76/1317736176.db2.gz AMBUZYMIXAGZFP-GOSISDBHSA-N 2 0 343.515 3.479 20 0 EGADRP [NH3+]CC1([C@@H]2CCCCN2Cc2cn3cc(Cl)ccc3n2)CCC1 ZINC000903814113 1317736485 /nfs/dbraw/zinc/73/64/85/1317736485.db2.gz KEDLWLOWORGQIK-INIZCTEOSA-N 2 0 332.879 3.471 20 0 EGADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000903885411 1317741640 /nfs/dbraw/zinc/74/16/40/1317741640.db2.gz HGDSXKGFNXZWMR-AZUAARDMSA-N 2 0 339.487 3.320 20 0 EGADRP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913075 1317747777 /nfs/dbraw/zinc/74/77/77/1317747777.db2.gz LEOOYMZUYYYOQQ-QAJUQPOASA-N 2 0 328.500 3.094 20 0 EGADRP [NH3+]C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc2ccccc2c1 ZINC000903918855 1317749217 /nfs/dbraw/zinc/74/92/17/1317749217.db2.gz JGDSIFVPTVTCSW-QFIPXVFZSA-N 2 0 331.463 3.275 20 0 EGADRP C[N@@H+]1CCCC[C@H](CNCc2cc(Br)cnc2Cl)C1 ZINC000858244996 1328721382 /nfs/dbraw/zinc/72/13/82/1328721382.db2.gz AGAZKYWCOHZHAV-LLVKDONJSA-N 2 0 346.700 3.319 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904312584 1317828456 /nfs/dbraw/zinc/82/84/56/1317828456.db2.gz KMHWXQZFPLQAKU-FQEVSTJZSA-N 2 0 344.478 3.470 20 0 EGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326400 1317831893 /nfs/dbraw/zinc/83/18/93/1317831893.db2.gz ITGODPMGKAJRHA-RTWAWAEBSA-N 2 0 329.532 3.220 20 0 EGADRP C[C@]1(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CCC[NH2+]C1 ZINC000904338501 1317832725 /nfs/dbraw/zinc/83/27/25/1317832725.db2.gz RMKXTVNVUUDWER-FQEVSTJZSA-N 2 0 340.471 3.306 20 0 EGADRP COc1ccc([C@@H](CNC[C@@]2(C)CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000904364926 1317837968 /nfs/dbraw/zinc/83/79/68/1317837968.db2.gz UHDNZRKUIXFYLO-RTWAWAEBSA-N 2 0 345.531 3.202 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000904405344 1317843009 /nfs/dbraw/zinc/84/30/09/1317843009.db2.gz LAMXPRFHERDJCG-GOSISDBHSA-N 2 0 339.483 3.448 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000904406438 1317843114 /nfs/dbraw/zinc/84/31/14/1317843114.db2.gz VDYOSHGQPOMKIO-QGZVFWFLSA-N 2 0 347.466 3.105 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406184 1317844112 /nfs/dbraw/zinc/84/41/12/1317844112.db2.gz TWAKUNQUZSVDHY-GOSISDBHSA-N 2 0 340.515 3.400 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474621 1317851604 /nfs/dbraw/zinc/85/16/04/1317851604.db2.gz WBBREJKLLUTTMD-UYAOXDASSA-N 2 0 340.471 3.118 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000904576828 1317865702 /nfs/dbraw/zinc/86/57/02/1317865702.db2.gz MLHBOCPPSQXVKW-DLBZAZTESA-N 2 0 326.444 3.317 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904667297 1317879889 /nfs/dbraw/zinc/87/98/89/1317879889.db2.gz VVGPNFXJWUKQRZ-HUUCEWRRSA-N 2 0 332.492 3.023 20 0 EGADRP CCc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH3+])[NH+](C)C)cc1 ZINC000904667235 1317879967 /nfs/dbraw/zinc/87/99/67/1317879967.db2.gz XRODOYITDIUSJE-IBGZPJMESA-N 2 0 340.471 3.132 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC001020818472 1317948063 /nfs/dbraw/zinc/94/80/63/1317948063.db2.gz OGOUNEVOXUOCGY-VAMGGRTRSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001021049589 1318060406 /nfs/dbraw/zinc/06/04/06/1318060406.db2.gz QQBPTJGRGVVWAS-KNTRFNDTSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)CC[N@@H+]1C ZINC001021263303 1318162252 /nfs/dbraw/zinc/16/22/52/1318162252.db2.gz NPJNDHCBDDLSKD-MNIJEXPFSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)CC[N@@H+]1C ZINC001021263335 1318162701 /nfs/dbraw/zinc/16/27/01/1318162701.db2.gz PPPGIMCAYIINKG-MNIJEXPFSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021274199 1318167942 /nfs/dbraw/zinc/16/79/42/1318167942.db2.gz MEVLPEKVINVYSC-XVLXNVKGSA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021274455 1318168065 /nfs/dbraw/zinc/16/80/65/1318168065.db2.gz ZLWZBULMOSAKCW-NXEWRWPSSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021302020 1318178359 /nfs/dbraw/zinc/17/83/59/1318178359.db2.gz GEAMRKVXQKIISO-HQSKLWIPSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+](C)CCCCC(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000908410166 1318341576 /nfs/dbraw/zinc/34/15/76/1318341576.db2.gz COLKZSBOLFVLRD-UHFFFAOYSA-N 2 0 344.459 3.094 20 0 EGADRP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)cs1 ZINC000960098631 1318353629 /nfs/dbraw/zinc/35/36/29/1318353629.db2.gz XCIWOJQOBKTTCK-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H]1C[C@@H](CCNc2cc[nH+]c(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000858457917 1328767895 /nfs/dbraw/zinc/76/78/95/1328767895.db2.gz VZLAZWODUATTOB-FUHWJXTLSA-N 2 0 325.456 3.287 20 0 EGADRP C[N@@H+]1CC[C@H](CNc2cc[nH+]c(CO)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858461375 1328768702 /nfs/dbraw/zinc/76/87/02/1328768702.db2.gz SDBCFKGMBSCOCJ-ACJLOTCBSA-N 2 0 349.837 3.471 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858490759 1328777035 /nfs/dbraw/zinc/77/70/35/1328777035.db2.gz NMOMSJKDAJWZLL-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP CC(C)Cc1ccc([C@H](CNC(=O)C2([NH+](C)C)CCC2)[NH+](C)C)cc1 ZINC000813753224 1318626416 /nfs/dbraw/zinc/62/64/16/1318626416.db2.gz WVJLOYLAJJEYEE-IBGZPJMESA-N 2 0 345.531 3.088 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739198 1318649004 /nfs/dbraw/zinc/64/90/04/1318649004.db2.gz HJXVOLRJDVRZPB-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001021906253 1318727048 /nfs/dbraw/zinc/72/70/48/1318727048.db2.gz JIPDDNVXYCAXOF-XMTFNYHQSA-N 2 0 349.906 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960666475 1318783857 /nfs/dbraw/zinc/78/38/57/1318783857.db2.gz RJESQBFNTQJNJZ-MSOLQXFVSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC000960669268 1318785058 /nfs/dbraw/zinc/78/50/58/1318785058.db2.gz VARNOGLGASYLQU-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]cn1 ZINC000960671438 1318786648 /nfs/dbraw/zinc/78/66/48/1318786648.db2.gz LAQAKNIBKMQADX-LPHOPBHVSA-N 2 0 340.471 3.026 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)c1ccccc1 ZINC001022069656 1318786944 /nfs/dbraw/zinc/78/69/44/1318786944.db2.gz NJKUSQWBXUAARB-IYWMVGAKSA-N 2 0 343.515 3.247 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022070278 1318788251 /nfs/dbraw/zinc/78/82/51/1318788251.db2.gz UMMOVNAWDRHVPN-OTWHNJEPSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657837 1318794844 /nfs/dbraw/zinc/79/48/44/1318794844.db2.gz SXHFEQZIQPRATP-WBVHZDCISA-N 2 0 331.460 3.168 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022157774 1318824126 /nfs/dbraw/zinc/82/41/26/1318824126.db2.gz ZBVBXGFSBRNQJA-CALCHBBNSA-N 2 0 347.528 3.161 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022195704 1318837701 /nfs/dbraw/zinc/83/77/01/1318837701.db2.gz GQDPLBFZWILYND-SLFFLAALSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC001023090760 1319257594 /nfs/dbraw/zinc/25/75/94/1319257594.db2.gz YBAKZKNOZMKRFY-KSZLIROESA-N 2 0 349.906 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188697 1319302678 /nfs/dbraw/zinc/30/26/78/1319302678.db2.gz XBWPBMINYUWRMA-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000817416272 1319355248 /nfs/dbraw/zinc/35/52/48/1319355248.db2.gz XHAHJYIFWYFOHR-UIDBIOKJSA-N 2 0 346.462 3.206 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)C[NH+]1CCCCC1 ZINC000930283399 1328826138 /nfs/dbraw/zinc/82/61/38/1328826138.db2.gz TZHYYIWBFKYLCQ-QGZVFWFLSA-N 2 0 347.503 3.117 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Br)nc1 ZINC000817584931 1319406345 /nfs/dbraw/zinc/40/63/45/1319406345.db2.gz BCYCFGUYIHBMLO-XGNXJENSSA-N 2 0 326.282 3.368 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)c2cc1C ZINC000817880476 1319451319 /nfs/dbraw/zinc/45/13/19/1319451319.db2.gz VYQCGQZFMHDFFG-INMHGKMJSA-N 2 0 328.456 3.215 20 0 EGADRP Clc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000817892914 1319452695 /nfs/dbraw/zinc/45/26/95/1319452695.db2.gz WULPNEFACCLVLN-QAPCUYQASA-N 2 0 329.831 3.081 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000817895104 1319453693 /nfs/dbraw/zinc/45/36/93/1319453693.db2.gz VCRHQANFLBXBNZ-MAODMQOUSA-N 2 0 342.483 3.055 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000817891479 1319453955 /nfs/dbraw/zinc/45/39/55/1319453955.db2.gz LFRLMYBIFDQJKM-RVKKMQEKSA-N 2 0 329.488 3.167 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900008 1319455679 /nfs/dbraw/zinc/45/56/79/1319455679.db2.gz JMQBPNDHQLRXDQ-VWEINGBSSA-N 3 0 329.532 3.332 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000817923280 1319461337 /nfs/dbraw/zinc/46/13/37/1319461337.db2.gz VQHNXPMMMPFUKM-KZULUSFZSA-N 2 0 333.863 3.060 20 0 EGADRP OC1(c2cccnc2)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000817925235 1319462764 /nfs/dbraw/zinc/46/27/64/1319462764.db2.gz SUWFTOKWWHHVME-NGWDBGEYSA-N 2 0 343.515 3.112 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000817930422 1319465055 /nfs/dbraw/zinc/46/50/55/1319465055.db2.gz AEDCPKMYNBPWEP-KLHKWILBSA-N 2 0 329.488 3.372 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817946171 1319472460 /nfs/dbraw/zinc/47/24/60/1319472460.db2.gz SYYAFYOKUDTPAE-QZTJIDSGSA-N 2 0 345.531 3.331 20 0 EGADRP COCc1cc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)ccc1OC ZINC000817947333 1319473847 /nfs/dbraw/zinc/47/38/47/1319473847.db2.gz CKCJJIJHVLFPOL-OAHLLOKOSA-N 2 0 328.456 3.194 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023364359 1319477069 /nfs/dbraw/zinc/47/70/69/1319477069.db2.gz JKGXHOCKFSFBSV-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(Br)ncc1F ZINC000817960202 1319478398 /nfs/dbraw/zinc/47/83/98/1319478398.db2.gz LMUFIZLUJNJJJS-KWBADKCTSA-N 2 0 330.245 3.151 20 0 EGADRP COc1ccc([C@@H](C)NC[C@@H]([NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817964880 1319479359 /nfs/dbraw/zinc/47/93/59/1319479359.db2.gz IICCKQCCCRWPLE-DNVCBOLYSA-N 2 0 331.504 3.069 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(N2CCOC2=O)cc1 ZINC000817969514 1319480886 /nfs/dbraw/zinc/48/08/86/1319480886.db2.gz VTCGTKYYYDOMKQ-AWEZNQCLSA-N 2 0 337.423 3.097 20 0 EGADRP CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817979999 1319484109 /nfs/dbraw/zinc/48/41/09/1319484109.db2.gz GXXOWUMWVPGERV-GVDBMIGSSA-N 2 0 339.524 3.286 20 0 EGADRP COC(OC)c1ccc(F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000818208490 1319517672 /nfs/dbraw/zinc/51/76/72/1319517672.db2.gz JCSXQISIQRBFET-UHFFFAOYSA-N 2 0 336.451 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961373345 1319529571 /nfs/dbraw/zinc/52/95/71/1319529571.db2.gz GVLGSFDZROVMTH-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP [NH3+]CCOc1cccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000818542719 1319555754 /nfs/dbraw/zinc/55/57/54/1319555754.db2.gz TUFICRLVMMYFQP-MRXNPFEDSA-N 2 0 333.476 3.041 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453613 1319556031 /nfs/dbraw/zinc/55/60/31/1319556031.db2.gz CYRKFEJOZBWCFS-DOTOQJQBSA-N 2 0 342.487 3.131 20 0 EGADRP O=C(NC[C@H]1CCC[N@H+](CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466680 1319566047 /nfs/dbraw/zinc/56/60/47/1319566047.db2.gz LBLAPRGVEHJJCH-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431757 1319585098 /nfs/dbraw/zinc/58/50/98/1319585098.db2.gz MPZYABONSXHPIA-ICSRJNTNSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961440225 1319593238 /nfs/dbraw/zinc/59/32/38/1319593238.db2.gz KTSASIIECAEPOZ-QUCCMNQESA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C[NH+]1CCCCC1 ZINC000818969677 1319596864 /nfs/dbraw/zinc/59/68/64/1319596864.db2.gz RURGGUAVJIDVNX-SUMWQHHRSA-N 2 0 328.859 3.224 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000818986075 1319604924 /nfs/dbraw/zinc/60/49/24/1319604924.db2.gz FJQKVLUJSHOTPS-IBGZPJMESA-N 2 0 330.497 3.283 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819133602 1319644395 /nfs/dbraw/zinc/64/43/95/1319644395.db2.gz TVINUMCHOPZUQK-ZENOOKHLSA-N 2 0 331.287 3.489 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001023569931 1319684434 /nfs/dbraw/zinc/68/44/34/1319684434.db2.gz WPQYSOXZGUOZMN-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000819333895 1319701792 /nfs/dbraw/zinc/70/17/92/1319701792.db2.gz SERKFCWJCKPYJR-QGZVFWFLSA-N 2 0 328.859 3.368 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632335 1319754171 /nfs/dbraw/zinc/75/41/71/1319754171.db2.gz JYCFDPULPVCSCR-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763212 1319911043 /nfs/dbraw/zinc/91/10/43/1319911043.db2.gz FENYTWNDQPKLPN-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820824812 1319963076 /nfs/dbraw/zinc/96/30/76/1319963076.db2.gz VOJVCWHQJYXPNV-FIKGOQFSSA-N 2 0 326.484 3.391 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@H](O)Cc1ccccc1 ZINC000820824811 1319963176 /nfs/dbraw/zinc/96/31/76/1319963176.db2.gz VOJVCWHQJYXPNV-CSODHUTKSA-N 2 0 326.484 3.391 20 0 EGADRP Cc1[nH+]cc2n1C[C@H](c1nc(-c3ccc(C[NH+](C)C)cc3)no1)CC2 ZINC000823709244 1320199316 /nfs/dbraw/zinc/19/93/16/1320199316.db2.gz QLKWSDSGEMNAQY-MRXNPFEDSA-N 2 0 337.427 3.033 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841078107 1321214567 /nfs/dbraw/zinc/21/45/67/1321214567.db2.gz CWKXSCPPGBXUNF-QGZVFWFLSA-N 2 0 344.890 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)c2ccc(F)cc2F)cc1 ZINC000859212947 1328946871 /nfs/dbraw/zinc/94/68/71/1328946871.db2.gz CYPSLNPCWBNRFN-IBGZPJMESA-N 2 0 334.410 3.192 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)c2c(F)cccc2F)cc1 ZINC000859214714 1328948230 /nfs/dbraw/zinc/94/82/30/1328948230.db2.gz RSWMUHAKRCSGDL-SFHVURJKSA-N 2 0 334.410 3.192 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843128936 1321474111 /nfs/dbraw/zinc/47/41/11/1321474111.db2.gz ZSGUXXORQFXGGN-UHFFFAOYSA-N 2 0 344.890 3.410 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843128721 1321474485 /nfs/dbraw/zinc/47/44/85/1321474485.db2.gz ZQJMOJGNQFRQBG-AWEZNQCLSA-N 2 0 325.884 3.474 20 0 EGADRP [NH3+]CCCCCCc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000843181518 1321483115 /nfs/dbraw/zinc/48/31/15/1321483115.db2.gz GYEATQZIXRKGPR-UHFFFAOYSA-N 2 0 328.460 3.394 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCCCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000843342315 1321502360 /nfs/dbraw/zinc/50/23/60/1321502360.db2.gz JWADUDIDFRIRQM-CYBMUJFWSA-N 2 0 335.883 3.399 20 0 EGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354675 1321504864 /nfs/dbraw/zinc/50/48/64/1321504864.db2.gz BRKJPMGHZOIDLP-IGEOTXOUSA-N 2 0 337.895 3.061 20 0 EGADRP C[N@H+](CCOc1ccccc1Br)C1CCC([NH3+])CC1 ZINC000843355530 1321505281 /nfs/dbraw/zinc/50/52/81/1321505281.db2.gz UASUCINZDJEGRD-UHFFFAOYSA-N 2 0 327.266 3.030 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000843363400 1321507068 /nfs/dbraw/zinc/50/70/68/1321507068.db2.gz BHOVDCQOGMTKCB-IBGZPJMESA-N 2 0 343.515 3.039 20 0 EGADRP COc1cccc2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)oc21 ZINC000844903112 1321656265 /nfs/dbraw/zinc/65/62/65/1321656265.db2.gz SIQCMJGZIGOVEQ-TXPKVOOTSA-N 2 0 344.455 3.160 20 0 EGADRP COc1cccc2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)oc21 ZINC000844903111 1321656609 /nfs/dbraw/zinc/65/66/09/1321656609.db2.gz SIQCMJGZIGOVEQ-FRQCXROJSA-N 2 0 344.455 3.160 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(N2CCOC2=O)c1 ZINC000844923310 1321658208 /nfs/dbraw/zinc/65/82/08/1321658208.db2.gz HTAZHQHWVZQJFT-CYBMUJFWSA-N 2 0 343.402 3.092 20 0 EGADRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000849056768 1322061048 /nfs/dbraw/zinc/06/10/48/1322061048.db2.gz MRSHDXOAXDJFSL-UHFFFAOYSA-N 2 0 344.381 3.396 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849059481 1322062195 /nfs/dbraw/zinc/06/21/95/1322062195.db2.gz WSGXEEKIFQKALW-KRWDZBQOSA-N 2 0 346.519 3.163 20 0 EGADRP CC(C)CNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000849061811 1322062638 /nfs/dbraw/zinc/06/26/38/1322062638.db2.gz QHUPTWJKPLJDJZ-CALCHBBNSA-N 2 0 330.520 3.434 20 0 EGADRP C[C@H]1CCCN(C(=[NH2+])NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000849075785 1322067914 /nfs/dbraw/zinc/06/79/14/1322067914.db2.gz LJSVGVHIIMYNEG-FXAWDEMLSA-N 2 0 328.504 3.155 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])NCCc1ccccc1)c1ccccc1 ZINC000849101166 1322078535 /nfs/dbraw/zinc/07/85/35/1322078535.db2.gz RDVVPWBFKPKZTK-QGZVFWFLSA-N 2 0 338.499 3.472 20 0 EGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554165 1322265166 /nfs/dbraw/zinc/26/51/66/1322265166.db2.gz ALDLJZGHISRRKN-KRWDZBQOSA-N 2 0 343.298 3.491 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000921666248 1322373963 /nfs/dbraw/zinc/37/39/63/1322373963.db2.gz CEMRVFYTKONRFN-AQNXPRMDSA-N 2 0 347.572 3.239 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000921819431 1322404533 /nfs/dbraw/zinc/40/45/33/1322404533.db2.gz ZEFIZHXZKSABPO-UYAOXDASSA-N 2 0 348.556 3.407 20 0 EGADRP CCN(C)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000922506413 1322545079 /nfs/dbraw/zinc/54/50/79/1322545079.db2.gz ZLXDISJOODRRFN-UHFFFAOYSA-N 2 0 330.520 3.424 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923358291 1322739956 /nfs/dbraw/zinc/73/99/56/1322739956.db2.gz YDBNWRJQQCINHD-FGZHOGPDSA-N 2 0 338.495 3.065 20 0 EGADRP O[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(F)cc1Cl ZINC000923391784 1322744657 /nfs/dbraw/zinc/74/46/57/1322744657.db2.gz ZDXZUWHHAOMOIN-KDOFPFPSSA-N 2 0 340.870 3.224 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491607 1322760579 /nfs/dbraw/zinc/76/05/79/1322760579.db2.gz JWXLNTWQCPNEPA-IAGOWNOFSA-N 2 0 337.467 3.351 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504350 1322764429 /nfs/dbraw/zinc/76/44/29/1322764429.db2.gz QSDZVJXQSVWDPB-RKVPGOIHSA-N 2 0 325.456 3.084 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001023984581 1323065551 /nfs/dbraw/zinc/06/55/51/1323065551.db2.gz GHBHYVRCRSNYJY-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000851807260 1323094650 /nfs/dbraw/zinc/09/46/50/1323094650.db2.gz DUHBOXFSCKHEFQ-ACRUOGEOSA-N 2 0 348.531 3.056 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000924684308 1323113006 /nfs/dbraw/zinc/11/30/06/1323113006.db2.gz DQUWGPUVHDKSRE-HOJAQTOUSA-N 2 0 332.536 3.376 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851948528 1323120590 /nfs/dbraw/zinc/12/05/90/1323120590.db2.gz WWAZNWPSNPIYDH-BHIYHBOVSA-N 2 0 332.488 3.028 20 0 EGADRP C[C@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000924719743 1323132048 /nfs/dbraw/zinc/13/20/48/1323132048.db2.gz ADSXHLGBAHPCKJ-KLAILNCOSA-N 2 0 339.524 3.001 20 0 EGADRP CCCNC(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924732544 1323138351 /nfs/dbraw/zinc/13/83/51/1323138351.db2.gz YJYLOWYNGVTQRA-IHWFROFDSA-N 2 0 343.515 3.078 20 0 EGADRP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924732482 1323138739 /nfs/dbraw/zinc/13/87/39/1323138739.db2.gz XJDCPVUUVDTLRQ-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024119374 1323150157 /nfs/dbraw/zinc/15/01/57/1323150157.db2.gz YLHWHZFEKHXRAF-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000924870705 1323194537 /nfs/dbraw/zinc/19/45/37/1323194537.db2.gz UGXZHPBQERUEQX-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924940013 1323222921 /nfs/dbraw/zinc/22/29/21/1323222921.db2.gz IDRKEHWDLXTMOA-FDFHNCONSA-N 2 0 344.543 3.472 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)c2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000853104797 1323283406 /nfs/dbraw/zinc/28/34/06/1323283406.db2.gz XNLBHWBGXJZQKP-YFVAEKQCSA-N 2 0 339.483 3.005 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024366611 1323340428 /nfs/dbraw/zinc/34/04/28/1323340428.db2.gz UBVGGHIXANJUFY-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024437342 1323398178 /nfs/dbraw/zinc/39/81/78/1323398178.db2.gz QQTSXTWBQBENBM-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024514124 1323464253 /nfs/dbraw/zinc/46/42/53/1323464253.db2.gz VXALTXUFGUHNNB-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001024514425 1323465827 /nfs/dbraw/zinc/46/58/27/1323465827.db2.gz ZEXOWCCEUJNGAW-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC1 ZINC001024693101 1323609994 /nfs/dbraw/zinc/60/99/94/1323609994.db2.gz WJZJQSULNPPPED-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CC(C)C2)CC1 ZINC001024740032 1323640037 /nfs/dbraw/zinc/64/00/37/1323640037.db2.gz GXVQLUGAGYWXRF-QLOJAFMTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024812703 1323715941 /nfs/dbraw/zinc/71/59/41/1323715941.db2.gz RJPIATGBRWLYDB-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814478 1323718711 /nfs/dbraw/zinc/71/87/11/1323718711.db2.gz TVXHCXWIUUEIQC-IBGZPJMESA-N 2 0 343.515 3.299 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001025058107 1323861060 /nfs/dbraw/zinc/86/10/60/1323861060.db2.gz BTLLBGKHMUHYIY-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025104819 1323896915 /nfs/dbraw/zinc/89/69/15/1323896915.db2.gz HMFAFXKGLIKEHB-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000859995098 1329124290 /nfs/dbraw/zinc/12/42/90/1329124290.db2.gz KQJCHNPWIXXYLL-HXUWFJFHSA-N 2 0 330.447 3.443 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025232886 1324018806 /nfs/dbraw/zinc/01/88/06/1324018806.db2.gz RAPPECMVEVRPAP-QZTJIDSGSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1Cl ZINC000931480974 1329127441 /nfs/dbraw/zinc/12/74/41/1329127441.db2.gz AVCUAIOXDGUEGM-UHFFFAOYSA-N 2 0 340.895 3.016 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293895 1324122045 /nfs/dbraw/zinc/12/20/45/1324122045.db2.gz GMOORCAAQBBHBI-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001025470621 1324316169 /nfs/dbraw/zinc/31/61/69/1324316169.db2.gz ZCNNVNZIYFIOSB-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514789 1324360090 /nfs/dbraw/zinc/36/00/90/1324360090.db2.gz FVYURBBIZNOVRS-IAGOWNOFSA-N 2 0 349.519 3.218 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585283 1324426993 /nfs/dbraw/zinc/42/69/93/1324426993.db2.gz NXHHATIDWYAAAE-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001026464520 1324824211 /nfs/dbraw/zinc/82/42/11/1324824211.db2.gz KGPKOLNDQZXGJT-ACBHZAAOSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001026606733 1324927849 /nfs/dbraw/zinc/92/78/49/1324927849.db2.gz REVXVFILWUERKK-VIQWUECVSA-N 2 0 343.515 3.169 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026606785 1324927956 /nfs/dbraw/zinc/92/79/56/1324927956.db2.gz USCHMUKHHCIMOJ-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001026845742 1325043806 /nfs/dbraw/zinc/04/38/06/1325043806.db2.gz GRWNGYCYWUMZGE-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925131837 1325057280 /nfs/dbraw/zinc/05/72/80/1325057280.db2.gz DPXPBNZJANVNCS-JXFKEZNVSA-N 2 0 328.456 3.426 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001026887841 1325062685 /nfs/dbraw/zinc/06/26/85/1325062685.db2.gz WIOSFQOUATVZKT-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000925231527 1325088711 /nfs/dbraw/zinc/08/87/11/1325088711.db2.gz FHXSMWMQEDMXCT-SFTDATJTSA-N 2 0 346.563 3.479 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001026941191 1325093507 /nfs/dbraw/zinc/09/35/07/1325093507.db2.gz BSLGFCLGALLGBU-IRXDYDNUSA-N 2 0 348.450 3.147 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001026957235 1325105564 /nfs/dbraw/zinc/10/55/64/1325105564.db2.gz DHKNBPXMMPPYJK-IRXDYDNUSA-N 2 0 348.450 3.147 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCc2nc3cc(F)ccc3n2C)CC1 ZINC000925439362 1325150462 /nfs/dbraw/zinc/15/04/62/1325150462.db2.gz CBDYKJMWZFWWQD-UHFFFAOYSA-N 2 0 346.494 3.355 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)c1 ZINC000925477681 1325167417 /nfs/dbraw/zinc/16/74/17/1325167417.db2.gz LIACPNRYJKHAEH-YYWHXJBOSA-N 2 0 343.515 3.032 20 0 EGADRP CN(C)[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(F)c1 ZINC000925492256 1325175037 /nfs/dbraw/zinc/17/50/37/1325175037.db2.gz GKJOYUCOMYMSOS-UXHICEINSA-N 2 0 329.463 3.498 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925500523 1325179190 /nfs/dbraw/zinc/17/91/90/1325179190.db2.gz DEJQVEQRLOFACT-XLIONFOSSA-N 2 0 327.516 3.476 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925512980 1325186054 /nfs/dbraw/zinc/18/60/54/1325186054.db2.gz GOLJJFGJUXWVSN-ZWKOTPCHSA-N 2 0 333.907 3.164 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000925578796 1325217819 /nfs/dbraw/zinc/21/78/19/1325217819.db2.gz BCPUFTLYDWPTRE-LJQANCHMSA-N 2 0 340.467 3.460 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCc2nnc(-c3ccccc3)o2)CC1 ZINC000925589435 1325224062 /nfs/dbraw/zinc/22/40/62/1325224062.db2.gz HJDIVYGEXJEUGE-UHFFFAOYSA-N 2 0 342.487 3.379 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000963417575 1325225542 /nfs/dbraw/zinc/22/55/42/1325225542.db2.gz NWFNOMBHOOHDOS-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027103943 1325229260 /nfs/dbraw/zinc/22/92/60/1325229260.db2.gz IWWMIURLEHBIIY-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631701 1325240093 /nfs/dbraw/zinc/24/00/93/1325240093.db2.gz WPLRNXPEPGPXTD-ZUXXIDCJSA-N 2 0 339.886 3.202 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001027139800 1325249481 /nfs/dbraw/zinc/24/94/81/1325249481.db2.gz RTERTGWKSJNFRB-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(N2CCCCC2=O)cc1 ZINC000925677279 1325259427 /nfs/dbraw/zinc/25/94/27/1325259427.db2.gz RYHIKWLSJKPXAN-QGTPRVQTSA-N 2 0 327.472 3.124 20 0 EGADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1 ZINC000925690842 1325262389 /nfs/dbraw/zinc/26/23/89/1325262389.db2.gz LIJZCXDYRNNRPD-UFYCRDLUSA-N 2 0 325.456 3.372 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027163283 1325263406 /nfs/dbraw/zinc/26/34/06/1325263406.db2.gz BKROJSBIJIQPSE-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)OC)c1 ZINC000925719713 1325269993 /nfs/dbraw/zinc/26/99/93/1325269993.db2.gz BZXFLRFHDOGZOS-PMACEKPBSA-N 2 0 328.456 3.453 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CC[NH2+]CC3)cc1)CC2 ZINC000925807743 1325309815 /nfs/dbraw/zinc/30/98/15/1325309815.db2.gz HKYWKWORLCHRDU-QFIPXVFZSA-N 2 0 335.495 3.177 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000925827148 1325318440 /nfs/dbraw/zinc/31/84/40/1325318440.db2.gz MRPAWAULHKCWDX-CHWSQXEVSA-N 2 0 338.455 3.145 20 0 EGADRP C/C=C\C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926200821 1325467822 /nfs/dbraw/zinc/46/78/22/1325467822.db2.gz JZLVUQYGXJMTIG-MUFRKSGPSA-N 2 0 328.500 3.489 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001027416843 1327643737 /nfs/dbraw/zinc/64/37/37/1327643737.db2.gz NHXZXYKMDLFDKK-YZGWKJHDSA-N 2 0 347.547 3.140 20 0 EGADRP C[NH+](CC1CCCCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441165 1327680863 /nfs/dbraw/zinc/68/08/63/1327680863.db2.gz ACUFXVIBDKVVQA-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926718842 1327683003 /nfs/dbraw/zinc/68/30/03/1327683003.db2.gz NOKNZRQWGNFMSF-NVXWUHKLSA-N 2 0 331.504 3.046 20 0 EGADRP CNC(=O)CC1(C[NH2+]C2CC[NH+](CCC(C)C)CC2)CCCCC1 ZINC000926721391 1327683969 /nfs/dbraw/zinc/68/39/69/1327683969.db2.gz IHVSFURSPGYQQL-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)[C@H](O)C(F)(F)F ZINC000926786424 1327718347 /nfs/dbraw/zinc/71/83/47/1327718347.db2.gz JUSLDLXHRVPVTE-KCXAZCMYSA-N 2 0 332.410 3.347 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477293 1327730885 /nfs/dbraw/zinc/73/08/85/1327730885.db2.gz FIOLRCBLVHYQTF-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000927039211 1327827471 /nfs/dbraw/zinc/82/74/71/1327827471.db2.gz TWCCZXLEOJAWDT-SOAISFHBSA-N 2 0 330.520 3.128 20 0 EGADRP CCOCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000927086693 1327853748 /nfs/dbraw/zinc/85/37/48/1327853748.db2.gz MPVDAKADCINDLI-HBMCJLEFSA-N 2 0 346.515 3.072 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001027579215 1327914647 /nfs/dbraw/zinc/91/46/47/1327914647.db2.gz CWQHWLCIICCNIP-PMACEKPBSA-N 2 0 345.531 3.066 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCC3)C2)c1 ZINC001027692138 1328096816 /nfs/dbraw/zinc/09/68/16/1328096816.db2.gz BWSDBGYNGFFUNJ-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([N@H+](C)CCC3CC3)C2)c1 ZINC001027692766 1328098967 /nfs/dbraw/zinc/09/89/67/1328098967.db2.gz OGQZTRAQWKSULG-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885217 1328352114 /nfs/dbraw/zinc/35/21/14/1328352114.db2.gz BNMDCHOKDBSDDD-ICSRJNTNSA-N 2 0 347.547 3.188 20 0 EGADRP CN(C)c1c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc(F)c1F ZINC000862353205 1329476869 /nfs/dbraw/zinc/47/68/69/1329476869.db2.gz WMMDMTXIKHXDJF-UHFFFAOYSA-N 2 0 337.458 3.339 20 0 EGADRP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000863542107 1329561804 /nfs/dbraw/zinc/56/18/04/1329561804.db2.gz FQZIUBMFZNAIGU-VAMGGRTRSA-N 2 0 329.488 3.070 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CCC1CCCC1)CC2)[NH+](C)C ZINC001050554097 1348288659 /nfs/dbraw/zinc/28/86/59/1348288659.db2.gz PIAPBWSYKRGKBK-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001050618189 1348304328 /nfs/dbraw/zinc/30/43/28/1348304328.db2.gz RPGHOYNQXJUZQF-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865476342 1329702762 /nfs/dbraw/zinc/70/27/62/1329702762.db2.gz NDXIRYOMOSYFOB-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000935327811 1330044734 /nfs/dbraw/zinc/04/47/34/1330044734.db2.gz GXUDOPNEJZKOKA-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000866306286 1330093722 /nfs/dbraw/zinc/09/37/22/1330093722.db2.gz DASCMBHDLSONFH-SLFFLAALSA-N 2 0 332.463 3.171 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866636850 1330136331 /nfs/dbraw/zinc/13/63/31/1330136331.db2.gz QIXAKJCVALFXNZ-OXQOHEQNSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866636849 1330136340 /nfs/dbraw/zinc/13/63/40/1330136340.db2.gz QIXAKJCVALFXNZ-OXJNMPFZSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000939259006 1330414305 /nfs/dbraw/zinc/41/43/05/1330414305.db2.gz STEPTOOTWPQMPE-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)CC1(C)C ZINC000940625870 1331131321 /nfs/dbraw/zinc/13/13/21/1331131321.db2.gz WBIFHQCIWMGTBZ-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC000940748260 1331178046 /nfs/dbraw/zinc/17/80/46/1331178046.db2.gz WUDHGHAVDUVCIG-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940864365 1331226475 /nfs/dbraw/zinc/22/64/75/1331226475.db2.gz KZRNQLPTGJFDRA-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158445 1331362002 /nfs/dbraw/zinc/36/20/02/1331362002.db2.gz NZMRRXLFGJJWHK-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256338 1331890367 /nfs/dbraw/zinc/89/03/67/1331890367.db2.gz DMBRKJFEYQRWPQ-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518222 1331950557 /nfs/dbraw/zinc/95/05/57/1331950557.db2.gz ORLLLUCVVYUAKJ-QAPCUYQASA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518220 1331950623 /nfs/dbraw/zinc/95/06/23/1331950623.db2.gz ORLLLUCVVYUAKJ-CRAIPNDOSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556101 1331971671 /nfs/dbraw/zinc/97/16/71/1331971671.db2.gz VQHXVJDUPOEBGG-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943516767 1332192066 /nfs/dbraw/zinc/19/20/66/1332192066.db2.gz MQKFFPVICLVFMF-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028567 1332481121 /nfs/dbraw/zinc/48/11/21/1332481121.db2.gz JQFOZHFEOWEQNE-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859444 1332917753 /nfs/dbraw/zinc/91/77/53/1332917753.db2.gz VGZZGDQWNDVDOA-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947505720 1333149611 /nfs/dbraw/zinc/14/96/11/1333149611.db2.gz CZPBVRGSFPACAS-MAUKXSAKSA-N 2 0 342.487 3.353 20 0 EGADRP Cc1cncn1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947548387 1333167918 /nfs/dbraw/zinc/16/79/18/1333167918.db2.gz ZBVDUUGRPHQDQP-LPHOPBHVSA-N 2 0 346.519 3.131 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569391 1333175090 /nfs/dbraw/zinc/17/50/90/1333175090.db2.gz XFZPFHQPWFXFRI-IEBWSBKVSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1=CCCCC1 ZINC000947726784 1333241934 /nfs/dbraw/zinc/24/19/34/1333241934.db2.gz SDBRYNDSVMCEJF-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CCC1CC1 ZINC000947801354 1333265304 /nfs/dbraw/zinc/26/53/04/1333265304.db2.gz MSNKQAQAXXQGSI-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948439018 1333525288 /nfs/dbraw/zinc/52/52/88/1333525288.db2.gz FUWPRYUXGGRXDG-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439575 1333526190 /nfs/dbraw/zinc/52/61/90/1333526190.db2.gz SBUOJUHTTAGHDV-AZUAARDMSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948673565 1333623384 /nfs/dbraw/zinc/62/33/84/1333623384.db2.gz BXSAESFJYLGYNU-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829593 1333701653 /nfs/dbraw/zinc/70/16/53/1333701653.db2.gz RBZUJSVRZCUJIG-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851816 1333709123 /nfs/dbraw/zinc/70/91/23/1333709123.db2.gz BOGUGINYRGANJL-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000949042943 1333769602 /nfs/dbraw/zinc/76/96/02/1333769602.db2.gz PYDSCDJDUGOMBI-MHJFOBGBSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000949676329 1333895105 /nfs/dbraw/zinc/89/51/05/1333895105.db2.gz TWGHFHYRGUGOEO-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC000950367499 1334051586 /nfs/dbraw/zinc/05/15/86/1334051586.db2.gz ILCHJIVEXIVENS-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC000950508111 1334083187 /nfs/dbraw/zinc/08/31/87/1334083187.db2.gz DVOXQZCEEXIRAO-LJQANCHMSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266061 1335681486 /nfs/dbraw/zinc/68/14/86/1335681486.db2.gz ZIOBCIXEYYZJHE-KXBFYZLASA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708782 1335805224 /nfs/dbraw/zinc/80/52/24/1335805224.db2.gz VRHMVZDXZOIORJ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968192272 1335868508 /nfs/dbraw/zinc/86/85/08/1335868508.db2.gz PXIDITZLDPEBRY-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C)CC1 ZINC000968458753 1335931628 /nfs/dbraw/zinc/93/16/28/1335931628.db2.gz DUFSYMABUQGJKI-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC000968673103 1336004738 /nfs/dbraw/zinc/00/47/38/1336004738.db2.gz QKKBYBVUCPWJBQ-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000968676631 1336006172 /nfs/dbraw/zinc/00/61/72/1336006172.db2.gz NKMRSOOSRCIVGP-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000968915232 1336087616 /nfs/dbraw/zinc/08/76/16/1336087616.db2.gz DYQQGWIYXMHGJW-UYAOXDASSA-N 2 0 345.531 3.084 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000968928921 1336093860 /nfs/dbraw/zinc/09/38/60/1336093860.db2.gz XHYMKNWNNGNBBC-WOJBJXKFSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968936670 1336096734 /nfs/dbraw/zinc/09/67/34/1336096734.db2.gz NJPHBCKYJIJGEJ-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968967019 1336104447 /nfs/dbraw/zinc/10/44/47/1336104447.db2.gz HVYGEQQDBUSBFD-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(C)C)C1 ZINC000968990709 1336112531 /nfs/dbraw/zinc/11/25/31/1336112531.db2.gz KZZFUMRTDVZHER-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000969002523 1336115481 /nfs/dbraw/zinc/11/54/81/1336115481.db2.gz VNXUSKAKKUBTRH-RTBURBONSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969002520 1336115733 /nfs/dbraw/zinc/11/57/33/1336115733.db2.gz VNXUSKAKKUBTRH-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCC2CCC2)CC1 ZINC000969013772 1336118796 /nfs/dbraw/zinc/11/87/96/1336118796.db2.gz GHIAYMOATMJGGE-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000969059095 1336132575 /nfs/dbraw/zinc/13/25/75/1336132575.db2.gz FWBGZONBCRLPBS-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000969458246 1336213604 /nfs/dbraw/zinc/21/36/04/1336213604.db2.gz MZZYWPKMUPSOGJ-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC000969627784 1336230667 /nfs/dbraw/zinc/23/06/67/1336230667.db2.gz UUQLSCUKFQECST-OLMNPRSZSA-N 2 0 349.906 3.076 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970792679 1336337757 /nfs/dbraw/zinc/33/77/57/1336337757.db2.gz RLTXDLCHVJHJIQ-RBUKOAKNSA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005631529 1336386030 /nfs/dbraw/zinc/38/60/30/1336386030.db2.gz HEQOLBCHMJOBME-HNNXBMFYSA-N 2 0 342.487 3.225 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001005869565 1336413423 /nfs/dbraw/zinc/41/34/23/1336413423.db2.gz ADVSUSNHJATVFV-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001005871501 1336413670 /nfs/dbraw/zinc/41/36/70/1336413670.db2.gz ANMZNQZNECYDPH-HXUWFJFHSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001006121047 1336454949 /nfs/dbraw/zinc/45/49/49/1336454949.db2.gz UWCLKIXSCPLTGC-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C2CC[NH+](CCCC3CCC3)CC2)CC1 ZINC001006182593 1336463734 /nfs/dbraw/zinc/46/37/34/1336463734.db2.gz CGKZNTPUNWPUAV-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006274847 1336479938 /nfs/dbraw/zinc/47/99/38/1336479938.db2.gz MTDAXKSQNNABDF-KRWDZBQOSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007498687 1336658893 /nfs/dbraw/zinc/65/88/93/1336658893.db2.gz LOESSXNLCINIGL-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007498956 1336658913 /nfs/dbraw/zinc/65/89/13/1336658913.db2.gz MWLDVHPQCOHUKK-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007786093 1336699984 /nfs/dbraw/zinc/69/99/84/1336699984.db2.gz JOLUFTKBWZTZCD-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007789268 1336700568 /nfs/dbraw/zinc/70/05/68/1336700568.db2.gz SRCAWRHRRYRPMP-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007797532 1336702548 /nfs/dbraw/zinc/70/25/48/1336702548.db2.gz BJPMESHGFGBCOK-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001007947700 1336737460 /nfs/dbraw/zinc/73/74/60/1336737460.db2.gz IMORRUPETCMIJL-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001008772005 1336924018 /nfs/dbraw/zinc/92/40/18/1336924018.db2.gz WSDWRXSYELTTTK-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001008773623 1336924802 /nfs/dbraw/zinc/92/48/02/1336924802.db2.gz YYESRWLVUSFACS-QZTJIDSGSA-N 2 0 349.544 3.092 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001009537523 1337034849 /nfs/dbraw/zinc/03/48/49/1337034849.db2.gz NKVFBKHKLRQXJU-RTBURBONSA-N 2 0 343.515 3.041 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001009632977 1337050595 /nfs/dbraw/zinc/05/05/95/1337050595.db2.gz FVWHRNPVDRDAPH-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014413544 1337770867 /nfs/dbraw/zinc/77/08/67/1337770867.db2.gz LWLKNZBHTVNUEV-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001014705363 1337876581 /nfs/dbraw/zinc/87/65/81/1337876581.db2.gz OWAOVDFHYCOCAA-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014908877 1337947200 /nfs/dbraw/zinc/94/72/00/1337947200.db2.gz KLQINNLHHLSLPT-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001016336657 1338554676 /nfs/dbraw/zinc/55/46/76/1338554676.db2.gz DAUNADHNIAQUDW-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2)[NH+]1CCCCC1 ZINC001016622463 1338667821 /nfs/dbraw/zinc/66/78/21/1338667821.db2.gz WXGFYJWESZXYMG-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924163 1338771945 /nfs/dbraw/zinc/77/19/45/1338771945.db2.gz RKLBXEVNHZTCFZ-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(C)c2)C1)[NH+](C)C ZINC001017154176 1338905520 /nfs/dbraw/zinc/90/55/20/1338905520.db2.gz SKRXGXDWHGUGAJ-VQTJNVASSA-N 2 0 345.531 3.006 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(C)c2)C1)[NH+](C)C ZINC001017154179 1338905780 /nfs/dbraw/zinc/90/57/80/1338905780.db2.gz SKRXGXDWHGUGAJ-WOJBJXKFSA-N 2 0 345.531 3.006 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001017208390 1338955224 /nfs/dbraw/zinc/95/52/24/1338955224.db2.gz GDEFGAKFDSVQLJ-AZUAARDMSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH+](C)CC3CCCCC3)C2)C1 ZINC001017209564 1338956184 /nfs/dbraw/zinc/95/61/84/1338956184.db2.gz QJAWYTHMIQINAN-ICSRJNTNSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001017262653 1338989377 /nfs/dbraw/zinc/98/93/77/1338989377.db2.gz DKGXWIIENAAGBZ-RTBURBONSA-N 2 0 343.515 3.014 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017267544 1338994342 /nfs/dbraw/zinc/99/43/42/1338994342.db2.gz QJHHMTJWYZAOID-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017839334 1339429474 /nfs/dbraw/zinc/42/94/74/1339429474.db2.gz KVWYTUJEHANZJX-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051903 1339490973 /nfs/dbraw/zinc/49/09/73/1339490973.db2.gz LLFPYTQCOOYFMT-YSTOQKLRSA-N 2 0 347.547 3.115 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018135665 1339510463 /nfs/dbraw/zinc/51/04/63/1339510463.db2.gz ROKUVUVKJLJXFT-BGYRXZFFSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)C ZINC001028254625 1340515183 /nfs/dbraw/zinc/51/51/83/1340515183.db2.gz YOWCEGKTCNQWBM-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028333780 1340571622 /nfs/dbraw/zinc/57/16/22/1340571622.db2.gz QZZCTGZWXKFZPX-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028579711 1340712072 /nfs/dbraw/zinc/71/20/72/1340712072.db2.gz HJFDLUIPLICWOM-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028647696 1340742396 /nfs/dbraw/zinc/74/23/96/1340742396.db2.gz MBXXZAWKUGPVDJ-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CC[N@H+](CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028658639 1340744862 /nfs/dbraw/zinc/74/48/62/1340744862.db2.gz BMTKKBNYCHFKPH-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001029001812 1340904790 /nfs/dbraw/zinc/90/47/90/1340904790.db2.gz CJKWGUUDQVBKIF-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001029107427 1340931729 /nfs/dbraw/zinc/93/17/29/1340931729.db2.gz MTAZDWVLIJGZLJ-LPHOPBHVSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001029144679 1340942275 /nfs/dbraw/zinc/94/22/75/1340942275.db2.gz MIZZMHCPBCPIST-LPHOPBHVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001029173415 1340948482 /nfs/dbraw/zinc/94/84/82/1340948482.db2.gz PWVIUXSHARHHDM-MJGOQNOKSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001029173686 1340948653 /nfs/dbraw/zinc/94/86/53/1340948653.db2.gz QJAAHNXFGKDKCM-ZWKOTPCHSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001029339183 1340973992 /nfs/dbraw/zinc/97/39/92/1340973992.db2.gz TUWVMFHDOXBWAQ-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029964453 1341136857 /nfs/dbraw/zinc/13/68/57/1341136857.db2.gz JNGJSHMQHHELAP-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH+](C)CC2=CCCCC2)CC1 ZINC001029995138 1341151324 /nfs/dbraw/zinc/15/13/24/1341151324.db2.gz AJIOSXGWFVAYHH-GOSISDBHSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001030020177 1341159681 /nfs/dbraw/zinc/15/96/81/1341159681.db2.gz PRNUPINADOVBGF-CMKODMSKSA-N 2 0 343.515 3.039 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001030020921 1341159758 /nfs/dbraw/zinc/15/97/58/1341159758.db2.gz RCAGFRCEUMNUHM-YSIASYRMSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@H](C(=O)NC1C[NH+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001031045047 1341269156 /nfs/dbraw/zinc/26/91/56/1341269156.db2.gz HZUHYHVWBHKEPT-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730545 1341394481 /nfs/dbraw/zinc/39/44/81/1341394481.db2.gz QODJAAUEJMHZHE-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817401 1341404995 /nfs/dbraw/zinc/40/49/95/1341404995.db2.gz CVZDIURTLKZFLS-HXUWFJFHSA-N 2 0 348.450 3.147 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886280 1355485114 /nfs/dbraw/zinc/48/51/14/1355485114.db2.gz MXOIIHSIVJOIFT-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032800154 1341618666 /nfs/dbraw/zinc/61/86/66/1341618666.db2.gz XQLYENPFLVSGBR-PMACEKPBSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033145899 1341739268 /nfs/dbraw/zinc/73/92/68/1341739268.db2.gz LOOZRLFYELDMJC-MSOLQXFVSA-N 2 0 349.544 3.044 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230666 1341755595 /nfs/dbraw/zinc/75/55/95/1341755595.db2.gz RQESCNXOFFBNGY-QFBILLFUSA-N 2 0 348.450 3.242 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230664 1341755774 /nfs/dbraw/zinc/75/57/74/1341755774.db2.gz RQESCNXOFFBNGY-APWZRJJASA-N 2 0 348.450 3.242 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033318087 1341779135 /nfs/dbraw/zinc/77/91/35/1341779135.db2.gz GJTCDZWZTQMAND-IBGZPJMESA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420448 1341821748 /nfs/dbraw/zinc/82/17/48/1341821748.db2.gz OZNHCHZEDBXAEG-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033472602 1341840258 /nfs/dbraw/zinc/84/02/58/1341840258.db2.gz YXPRSOFBMQETAN-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001033548819 1341867268 /nfs/dbraw/zinc/86/72/68/1341867268.db2.gz UPKZMYULKKDSTJ-LJQANCHMSA-N 2 0 349.563 3.076 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033686652 1341951772 /nfs/dbraw/zinc/95/17/72/1341951772.db2.gz RLYPZLQAMRTORH-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001033839713 1342036568 /nfs/dbraw/zinc/03/65/68/1342036568.db2.gz UIPPMZUOTBNCEL-SLFFLAALSA-N 2 0 347.547 3.140 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC001034046737 1342186328 /nfs/dbraw/zinc/18/63/28/1342186328.db2.gz VABCTIMGQLHLDF-QFBILLFUSA-N 2 0 349.494 3.033 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001034050419 1342192182 /nfs/dbraw/zinc/19/21/82/1342192182.db2.gz LUQJPVMNABBHQL-QGZVFWFLSA-N 2 0 347.503 3.068 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCCC2)C1 ZINC001034130537 1342259862 /nfs/dbraw/zinc/25/98/62/1342259862.db2.gz IGEHBUXFIGDXFR-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034132965 1342262375 /nfs/dbraw/zinc/26/23/75/1342262375.db2.gz VPNPHAFRZZMPET-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034238485 1342339180 /nfs/dbraw/zinc/33/91/80/1342339180.db2.gz CQOSFXGMWACWHH-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034248436 1342346006 /nfs/dbraw/zinc/34/60/06/1342346006.db2.gz CEGZTSIGZXTYBL-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034271518 1342361670 /nfs/dbraw/zinc/36/16/70/1342361670.db2.gz OITRPVWWMQBUTP-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034272087 1342363209 /nfs/dbraw/zinc/36/32/09/1342363209.db2.gz RFFNSTAYJKCQDM-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360469 1342431724 /nfs/dbraw/zinc/43/17/24/1342431724.db2.gz IYCZNPUPWIQNIA-HKUYNNGSSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034438205 1342499865 /nfs/dbraw/zinc/49/98/65/1342499865.db2.gz LMXHTOSJKIEMIP-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444965 1342505224 /nfs/dbraw/zinc/50/52/24/1342505224.db2.gz OCCWIFVAKUCQGJ-RTBURBONSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538258 1342594478 /nfs/dbraw/zinc/59/44/78/1342594478.db2.gz RJRXHQQHEANTKC-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034683775 1342690871 /nfs/dbraw/zinc/69/08/71/1342690871.db2.gz ZZFFDXPIIUFYSY-PWKSQPCKSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001034714977 1342710940 /nfs/dbraw/zinc/71/09/40/1342710940.db2.gz IHGBYPVRDPOJKJ-WNHJNPCNSA-N 2 0 349.563 3.170 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)CC1 ZINC001034721127 1342715230 /nfs/dbraw/zinc/71/52/30/1342715230.db2.gz KLGVLNRWMQKGHA-MXVIHJGJSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)CC1 ZINC001034769525 1342748177 /nfs/dbraw/zinc/74/81/77/1342748177.db2.gz SDKHDMGPMJJGBP-MXVIHJGJSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001034792007 1342760875 /nfs/dbraw/zinc/76/08/75/1342760875.db2.gz BPUUEIRFKDRQKX-UAFMIMERSA-N 2 0 343.515 3.106 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034795655 1342762802 /nfs/dbraw/zinc/76/28/02/1342762802.db2.gz OHPGXWUJUMWDPJ-FHWLQOOXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001034938037 1342844131 /nfs/dbraw/zinc/84/41/31/1342844131.db2.gz GOWQOJBQTNRQPV-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)c2sccc2C[NH+](C)C)C1 ZINC001034951049 1342850995 /nfs/dbraw/zinc/85/09/95/1342850995.db2.gz FTYKIQMERAWBQP-VMBOVVBDSA-N 2 0 349.544 3.050 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CCC1 ZINC001034957441 1342852466 /nfs/dbraw/zinc/85/24/66/1342852466.db2.gz UWFRSZJJYJGKGJ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC001034964982 1342855130 /nfs/dbraw/zinc/85/51/30/1342855130.db2.gz BCDICJMRERILQC-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F)[NH+](C)C ZINC001034966403 1342855808 /nfs/dbraw/zinc/85/58/08/1342855808.db2.gz QITDDPTXFJYCDF-FCEWJHQRSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001034971056 1342857971 /nfs/dbraw/zinc/85/79/71/1342857971.db2.gz BWPUOKWBGFIUIY-WOJBJXKFSA-N 2 0 345.531 3.231 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035101009 1342927182 /nfs/dbraw/zinc/92/71/82/1342927182.db2.gz CVBAOOPJIFEVLI-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC001035125990 1342944364 /nfs/dbraw/zinc/94/43/64/1342944364.db2.gz QRVFDVCWDGOXPG-MAUKXSAKSA-N 2 0 349.906 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035194070 1343007376 /nfs/dbraw/zinc/00/73/76/1343007376.db2.gz UFZDHHZBCQRIDA-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035196884 1343011056 /nfs/dbraw/zinc/01/10/56/1343011056.db2.gz FWCVGYVRKHSCSQ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236902 1343059904 /nfs/dbraw/zinc/05/99/04/1343059904.db2.gz FBWIBPXNEULDRD-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035259877 1343086646 /nfs/dbraw/zinc/08/66/46/1343086646.db2.gz JBKVWQVNLSKORI-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001036159239 1343336225 /nfs/dbraw/zinc/33/62/25/1343336225.db2.gz FSBXLWHEYNCCBL-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036556389 1343552316 /nfs/dbraw/zinc/55/23/16/1343552316.db2.gz JYIKYDALMJATIX-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036574312 1343560809 /nfs/dbraw/zinc/56/08/09/1343560809.db2.gz JQFICMURXIINIV-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]C(C)C)o1 ZINC001037135412 1343985156 /nfs/dbraw/zinc/98/51/56/1343985156.db2.gz RHBWEJOOVBOXHA-WBVHZDCISA-N 2 0 335.492 3.018 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037858089 1344143912 /nfs/dbraw/zinc/14/39/12/1344143912.db2.gz DRVCQXUPQWGLMW-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1CC ZINC001037922913 1344183302 /nfs/dbraw/zinc/18/33/02/1344183302.db2.gz CQOYHFMNLHKCEW-AZUAARDMSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037964356 1344208024 /nfs/dbraw/zinc/20/80/24/1344208024.db2.gz STFJYCXAPVENFN-ICSRJNTNSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1[NH2+]CC(C)C ZINC001037986250 1344221183 /nfs/dbraw/zinc/22/11/83/1344221183.db2.gz ZOIVEWYWYFSXKF-QUCCMNQESA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038238225 1344337375 /nfs/dbraw/zinc/33/73/75/1344337375.db2.gz GJOOFHASDCWRFE-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038339369 1344387344 /nfs/dbraw/zinc/38/73/44/1344387344.db2.gz GRGFCZJVWZRBOC-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCC1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038352507 1344392741 /nfs/dbraw/zinc/39/27/41/1344392741.db2.gz ICXTXOCCMFRREG-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038448126 1344431012 /nfs/dbraw/zinc/43/10/12/1344431012.db2.gz HBLZKHIUTWWJHW-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001038456086 1344433386 /nfs/dbraw/zinc/43/33/86/1344433386.db2.gz VFWWAKMMNVQIBO-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038467332 1344437248 /nfs/dbraw/zinc/43/72/48/1344437248.db2.gz ZHKAEQTZTAPWIG-ICSRJNTNSA-N 2 0 348.450 3.290 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038519654 1344462757 /nfs/dbraw/zinc/46/27/57/1344462757.db2.gz MAQZXJHBDQLXLP-LPHOPBHVSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCCC2)CC1 ZINC001038865525 1344618522 /nfs/dbraw/zinc/61/85/22/1344618522.db2.gz VCWJNFZRMQCAOD-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCC1 ZINC001038901824 1344642357 /nfs/dbraw/zinc/64/23/57/1344642357.db2.gz AJERMTKFVSMBPT-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001039051024 1344734922 /nfs/dbraw/zinc/73/49/22/1344734922.db2.gz RFNIZWLBMYCVJR-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133976 1344812272 /nfs/dbraw/zinc/81/22/72/1344812272.db2.gz NEUPVMGUGHODMU-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137806 1344817793 /nfs/dbraw/zinc/81/77/93/1344817793.db2.gz ROOUPIYOOJEQHH-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC2)C1 ZINC001039139004 1344819162 /nfs/dbraw/zinc/81/91/62/1344819162.db2.gz FJFKNAVQKPAFTN-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC001039183045 1344880904 /nfs/dbraw/zinc/88/09/04/1344880904.db2.gz UZJVAVSYBVSVJM-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237580 1344960123 /nfs/dbraw/zinc/96/01/23/1344960123.db2.gz HQCMTZJGDAPBLJ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039289767 1344998947 /nfs/dbraw/zinc/99/89/47/1344998947.db2.gz YTIDZUAVSHZGFD-MSRNWOCLSA-N 2 0 335.536 3.159 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001039374736 1345032864 /nfs/dbraw/zinc/03/28/64/1345032864.db2.gz IBDHEYMUHSNFIW-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039386995 1345039630 /nfs/dbraw/zinc/03/96/30/1345039630.db2.gz NNKSHFQRKKNSLV-AABGKKOBSA-N 2 0 347.547 3.281 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415598 1345056879 /nfs/dbraw/zinc/05/68/79/1345056879.db2.gz LHEDGDFDXLEBFB-MSOLQXFVSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001039685426 1345158555 /nfs/dbraw/zinc/15/85/55/1345158555.db2.gz MSUYMESFSHETCD-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@@H](C)CC)C1 ZINC001039861135 1345217363 /nfs/dbraw/zinc/21/73/63/1345217363.db2.gz XMRBIORCVVOPSK-ZGXWSNOMSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001039900071 1345240495 /nfs/dbraw/zinc/24/04/95/1345240495.db2.gz JMHGZSIGKAVFES-CEXWTWQISA-N 2 0 349.563 3.074 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240889 1345391434 /nfs/dbraw/zinc/39/14/34/1345391434.db2.gz KRJONPQDRIIJNX-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241642 1345391864 /nfs/dbraw/zinc/39/18/64/1345391864.db2.gz QKPBLNRMLPHJQW-TZIWHRDSSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040261777 1345400928 /nfs/dbraw/zinc/40/09/28/1345400928.db2.gz AJQCNROVGQCOMY-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1=CCCCC1)C2)[NH+](C)C ZINC001040262651 1345401190 /nfs/dbraw/zinc/40/11/90/1345401190.db2.gz UFJFBNXURRTFRN-CTNGQTDRSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1=CCCCC1)C2)[NH+](C)C ZINC001040262654 1345401771 /nfs/dbraw/zinc/40/17/71/1345401771.db2.gz UFJFBNXURRTFRN-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327573 1345434003 /nfs/dbraw/zinc/43/40/03/1345434003.db2.gz GGYNKMNVGPIWHY-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001040398838 1345476386 /nfs/dbraw/zinc/47/63/86/1345476386.db2.gz JRZVSQSUKGBMBQ-RXVVDRJESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040481249 1345514943 /nfs/dbraw/zinc/51/49/43/1345514943.db2.gz ZTNZRZNMYSPJLF-NRFANRHFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040730211 1345571854 /nfs/dbraw/zinc/57/18/54/1345571854.db2.gz TYQYMWBPEJGRDO-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817499 1345582063 /nfs/dbraw/zinc/58/20/63/1345582063.db2.gz RICPXUBNSYPDML-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040948751 1345607731 /nfs/dbraw/zinc/60/77/31/1345607731.db2.gz YUWNTUJKELUJKI-RTBURBONSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063373 1345933421 /nfs/dbraw/zinc/93/34/21/1345933421.db2.gz VSPJMIQIWFYLSS-OALUTQOASA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042254249 1346007073 /nfs/dbraw/zinc/00/70/73/1346007073.db2.gz JOOODYQSCWDYJO-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)C[C@@H]2C)CC1 ZINC001044790867 1346428554 /nfs/dbraw/zinc/42/85/54/1346428554.db2.gz DHJSTSAAPTXSJZ-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825946 1346436142 /nfs/dbraw/zinc/43/61/42/1346436142.db2.gz XOYQWPVALCRFFR-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044881680 1346453812 /nfs/dbraw/zinc/45/38/12/1346453812.db2.gz WLMYFRDFHNDBHX-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001045043879 1346484891 /nfs/dbraw/zinc/48/48/91/1346484891.db2.gz QNKSZDVJKOBLCT-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045060679 1346488466 /nfs/dbraw/zinc/48/84/66/1346488466.db2.gz GZPKFZVMEZGZEF-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045123320 1346499114 /nfs/dbraw/zinc/49/91/14/1346499114.db2.gz XYEPNEFWYMMQSA-IBGZPJMESA-N 2 0 340.471 3.109 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045201225 1346529276 /nfs/dbraw/zinc/52/92/76/1346529276.db2.gz YGIBBPDSERZASR-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001045261788 1346542502 /nfs/dbraw/zinc/54/25/02/1346542502.db2.gz DMFVPOGTTRNEGR-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001045310112 1346556066 /nfs/dbraw/zinc/55/60/66/1346556066.db2.gz GIJSNEKBNVYMIZ-QAPCUYQASA-N 2 0 349.906 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001045322066 1346560006 /nfs/dbraw/zinc/56/00/06/1346560006.db2.gz HRPTULZCZSXMPT-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438691 1346594072 /nfs/dbraw/zinc/59/40/72/1346594072.db2.gz VTVIHMLHYHYWED-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC3CCCCCC3)CC2)CC[N@@H+]1C ZINC001045444773 1346595742 /nfs/dbraw/zinc/59/57/42/1346595742.db2.gz HIIQKJIBQAUWEN-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045557504 1346628627 /nfs/dbraw/zinc/62/86/27/1346628627.db2.gz MXPUNYXSEPAZMR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045557370 1346628713 /nfs/dbraw/zinc/62/87/13/1346628713.db2.gz IMQGEXVIHBZKPY-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045585506 1346637720 /nfs/dbraw/zinc/63/77/20/1346637720.db2.gz RYPLQAUMRLZXMY-QZTJIDSGSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045620811 1346650000 /nfs/dbraw/zinc/65/00/00/1346650000.db2.gz VFYMGIQAYGWNSM-QZTJIDSGSA-N 2 0 335.536 3.044 20 0 EGADRP CC1(NC(=O)C23CC[NH+](CC2)C3)CC[NH+](CC2CCCCCC2)CC1 ZINC001045621583 1346650012 /nfs/dbraw/zinc/65/00/12/1346650012.db2.gz ONCXPSDXAKRWSB-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001045832883 1346713852 /nfs/dbraw/zinc/71/38/52/1346713852.db2.gz FUDIBVOHHNOOHW-AQNXPRMDSA-N 2 0 347.547 3.140 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046198581 1346886204 /nfs/dbraw/zinc/88/62/04/1346886204.db2.gz VXXNXUPKTCNNBA-ICSRJNTNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318368 1346932937 /nfs/dbraw/zinc/93/29/37/1346932937.db2.gz KUJDOQKAJAHRAT-RXVVDRJESA-N 2 0 347.547 3.188 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001046555189 1347015047 /nfs/dbraw/zinc/01/50/47/1347015047.db2.gz BELRTUYAVDLARJ-RXVVDRJESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC(C)(C)C)C2)C1 ZINC001046561038 1347017582 /nfs/dbraw/zinc/01/75/82/1347017582.db2.gz AVIXJUVQFAXXOX-XLIONFOSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047240944 1347266940 /nfs/dbraw/zinc/26/69/40/1347266940.db2.gz LVGOWAOEUWUDCC-VQTJNVASSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047242346 1347267974 /nfs/dbraw/zinc/26/79/74/1347267974.db2.gz CNAQACBHXAOWDN-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047243280 1347269278 /nfs/dbraw/zinc/26/92/78/1347269278.db2.gz JINRVEWBVUSDFQ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001047263049 1347284163 /nfs/dbraw/zinc/28/41/63/1347284163.db2.gz XZCLSDLKXNFLEM-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047924095 1347411233 /nfs/dbraw/zinc/41/12/33/1347411233.db2.gz LKKVYIQPUTUYFK-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048067774 1347457884 /nfs/dbraw/zinc/45/78/84/1347457884.db2.gz BGTRTEZYOJKOPT-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048294288 1347511143 /nfs/dbraw/zinc/51/11/43/1347511143.db2.gz DVCONGBPDJUCJC-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527535 1347578655 /nfs/dbraw/zinc/57/86/55/1347578655.db2.gz ROTZOEHDIYDJAM-OUUBHVDSSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578554 1347602945 /nfs/dbraw/zinc/60/29/45/1347602945.db2.gz RDRWQKWQRLEKTA-FNLKRUPLSA-N 2 0 349.563 3.122 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001048583169 1347605821 /nfs/dbraw/zinc/60/58/21/1347605821.db2.gz FAIIAJUUIJAIQB-YRPNKDGESA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001048590758 1347610014 /nfs/dbraw/zinc/61/00/14/1347610014.db2.gz ZBWXTXPTAFFABV-FNLKRUPLSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001048610157 1347617488 /nfs/dbraw/zinc/61/74/88/1347617488.db2.gz WUDLEUQVQNTIJI-GUDVDZBRSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478562 1347868905 /nfs/dbraw/zinc/86/89/05/1347868905.db2.gz PTZVZCFRXGFZQL-GBESFXJTSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514391 1347886056 /nfs/dbraw/zinc/88/60/56/1347886056.db2.gz DLOTWSJPTDNALO-VAMGGRTRSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001049564699 1347912175 /nfs/dbraw/zinc/91/21/75/1347912175.db2.gz PLFFLNHNWBDEST-MOPGFXCFSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595030 1347928043 /nfs/dbraw/zinc/92/80/43/1347928043.db2.gz RHASPETWKPIBAM-ZYSHUDEJSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049702596 1347981000 /nfs/dbraw/zinc/98/10/00/1347981000.db2.gz IHDUVGJOCBGRHL-SLFFLAALSA-N 2 0 347.547 3.138 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049765795 1348009490 /nfs/dbraw/zinc/00/94/90/1348009490.db2.gz HZDYOZWXFJYYRR-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC ZINC001050252988 1348219581 /nfs/dbraw/zinc/21/95/81/1348219581.db2.gz GRZSWUKALLOQHS-FQEVSTJZSA-N 2 0 345.531 3.409 20 0 EGADRP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001050261624 1348221685 /nfs/dbraw/zinc/22/16/85/1348221685.db2.gz HQUWRFQBCQUPFW-VQIMIIECSA-N 2 0 331.504 3.235 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050325444 1348228355 /nfs/dbraw/zinc/22/83/55/1348228355.db2.gz DTAZRNYCPIWDRK-DRRJLQACSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050332977 1348229625 /nfs/dbraw/zinc/22/96/25/1348229625.db2.gz PYWTYAPUOZOMJM-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001050340924 1348232174 /nfs/dbraw/zinc/23/21/74/1348232174.db2.gz LFZZFUDDPIXNNF-WGSAOQKQSA-N 2 0 347.547 3.070 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC001050766837 1348352535 /nfs/dbraw/zinc/35/25/35/1348352535.db2.gz ZIFSRIJQIMJYID-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001052392695 1348539214 /nfs/dbraw/zinc/53/92/14/1348539214.db2.gz APZFDAUIVRLKAM-YZGWKJHDSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447470 1348543509 /nfs/dbraw/zinc/54/35/09/1348543509.db2.gz FLHZYQMMFDAYRP-AZUAARDMSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447001 1348543541 /nfs/dbraw/zinc/54/35/41/1348543541.db2.gz VHDPRXXWPDNZJO-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)C)CC2)C1 ZINC001052651924 1348614724 /nfs/dbraw/zinc/61/47/24/1348614724.db2.gz PBRMXIUECAYEGX-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052712688 1348644886 /nfs/dbraw/zinc/64/48/86/1348644886.db2.gz NLMRQUZFHDJUAF-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764986 1348670318 /nfs/dbraw/zinc/67/03/18/1348670318.db2.gz UTLMMOPGDSCIOA-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052859798 1348705979 /nfs/dbraw/zinc/70/59/79/1348705979.db2.gz NJOSFXQYXASLDH-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937885 1348756795 /nfs/dbraw/zinc/75/67/95/1348756795.db2.gz ONWXMNOLCQMIBK-RBUKOAKNSA-N 2 0 343.515 3.123 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)CC2)c1 ZINC001052954972 1348768250 /nfs/dbraw/zinc/76/82/50/1348768250.db2.gz XNLWSLDUISSYOC-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052955409 1348769367 /nfs/dbraw/zinc/76/93/67/1348769367.db2.gz FMZMCWWMKAKFTI-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC(C)(C)C)CC1 ZINC001052986508 1348789175 /nfs/dbraw/zinc/78/91/75/1348789175.db2.gz OSIWJZOEWMQPTQ-KDURUIRLSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038973 1348839759 /nfs/dbraw/zinc/83/97/59/1348839759.db2.gz BLKHCBZJCWJDAR-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047746 1348849682 /nfs/dbraw/zinc/84/96/82/1348849682.db2.gz RTTQHSLKYLPDCH-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159455 1349161254 /nfs/dbraw/zinc/16/12/54/1349161254.db2.gz VSWNPXXMLJNQEO-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174425 1349175629 /nfs/dbraw/zinc/17/56/29/1349175629.db2.gz OZHGRJCAECQDST-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187472 1349190730 /nfs/dbraw/zinc/19/07/30/1349190730.db2.gz SCDNNFKYTHIVTP-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209166 1349210745 /nfs/dbraw/zinc/21/07/45/1349210745.db2.gz KPXDYPMWUTZBPI-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285716 1349288118 /nfs/dbraw/zinc/28/81/18/1349288118.db2.gz WIFJHTGNYAFXRW-UXHICEINSA-N 2 0 341.499 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001054296264 1349301432 /nfs/dbraw/zinc/30/14/32/1349301432.db2.gz HBMHUDYZLMTMQE-LZQZEXGQSA-N 2 0 349.494 3.054 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001054297492 1349301972 /nfs/dbraw/zinc/30/19/72/1349301972.db2.gz JZMCEPFJSGOVBL-GGPKGHCWSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001054297853 1349302484 /nfs/dbraw/zinc/30/24/84/1349302484.db2.gz OQKZEWIWIOGDHU-KFKAGJAMSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054823361 1349479556 /nfs/dbraw/zinc/47/95/56/1349479556.db2.gz LHANSDPMYPMBFJ-VQIMIIECSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080136105 1357497179 /nfs/dbraw/zinc/49/71/79/1357497179.db2.gz BDTUJQCZPIAOGQ-JXXFODFXSA-N 2 0 348.450 3.146 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC)C1 ZINC001183128962 1387266721 /nfs/dbraw/zinc/26/67/21/1387266721.db2.gz BDGHIDKVJHQGQU-WSTZPKSXSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001071738959 1354888711 /nfs/dbraw/zinc/88/87/11/1354888711.db2.gz LPTDLXLRGLRTRW-HKUYNNGSSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCC1CCCC1 ZINC001071822484 1354962528 /nfs/dbraw/zinc/96/25/28/1354962528.db2.gz XSUHZMGOLXLDHV-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071827841 1354964549 /nfs/dbraw/zinc/96/45/49/1354964549.db2.gz FCUNEJCSMRAGBD-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1CCCCC1 ZINC001071871668 1354996105 /nfs/dbraw/zinc/99/61/05/1354996105.db2.gz JFWRNCLZCZNQSC-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001183184705 1387273721 /nfs/dbraw/zinc/27/37/21/1387273721.db2.gz OGPKBXFHKJAIEM-OXQOHEQNSA-N 2 0 346.519 3.026 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCC1CCCCCC1 ZINC001072082381 1355119290 /nfs/dbraw/zinc/11/92/90/1355119290.db2.gz ZCPPPUSFZNWZPN-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001072297342 1355226913 /nfs/dbraw/zinc/22/69/13/1355226913.db2.gz IPLCHTJXFYBZNX-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001074063994 1356062630 /nfs/dbraw/zinc/06/26/30/1356062630.db2.gz YXCSAASETDDSFT-HXUWFJFHSA-N 2 0 345.531 3.126 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001074075481 1356070375 /nfs/dbraw/zinc/07/03/75/1356070375.db2.gz BNEMWMLXEMTRLP-LYBXBRPPSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C)cs1 ZINC001074693501 1356224246 /nfs/dbraw/zinc/22/42/46/1356224246.db2.gz DANMQBZQWYUQFA-SZMVWBNQSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183254295 1387285922 /nfs/dbraw/zinc/28/59/22/1387285922.db2.gz BVFBGMWKZUZSOL-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126455 1363638908 /nfs/dbraw/zinc/63/89/08/1363638908.db2.gz SJWWUYFHWVFFSB-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001183509203 1387315493 /nfs/dbraw/zinc/31/54/93/1387315493.db2.gz DIBIZGLJNOIZKM-WHIUHWMMSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001183517173 1387316212 /nfs/dbraw/zinc/31/62/12/1387316212.db2.gz SRVIJOHBPZLFHL-LVCYWYKZSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCC(C)(C)C)[C@H]3C2)CC[N@@H+]1C ZINC001084944911 1358353045 /nfs/dbraw/zinc/35/30/45/1358353045.db2.gz WOWLBMYONSAYDL-HCXYKTFWSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067182 1358382098 /nfs/dbraw/zinc/38/20/98/1358382098.db2.gz VDHSUDCHUDJPDB-GGPKGHCWSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085196655 1358431171 /nfs/dbraw/zinc/43/11/71/1358431171.db2.gz JDDDQEQXRFOSRT-VAMGGRTRSA-N 2 0 343.515 3.076 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085225380 1358437801 /nfs/dbraw/zinc/43/78/01/1358437801.db2.gz TUTZBSLPXWKBGY-VAMGGRTRSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085331885 1358469931 /nfs/dbraw/zinc/46/99/31/1358469931.db2.gz CLAMJCVJIZRAAJ-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)(C)C2)CC1 ZINC001085353273 1358476607 /nfs/dbraw/zinc/47/66/07/1358476607.db2.gz XEWXDEGHAKWADK-RTBURBONSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(C)C)o1 ZINC001085437253 1358500641 /nfs/dbraw/zinc/50/06/41/1358500641.db2.gz YNDGUNFWWCTMFG-QZTJIDSGSA-N 2 0 349.519 3.408 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001183764967 1387345415 /nfs/dbraw/zinc/34/54/15/1387345415.db2.gz LAGIETZEDGCPEB-MSOLQXFVSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597764 1358624768 /nfs/dbraw/zinc/62/47/68/1358624768.db2.gz FSQQOKNGEDOJDQ-AZUAARDMSA-N 2 0 347.547 3.140 20 0 EGADRP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001183877575 1387364579 /nfs/dbraw/zinc/36/45/79/1387364579.db2.gz SLNSXZRPXMRLNW-KHPNHKCMSA-N 2 0 332.463 3.436 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085988128 1358939009 /nfs/dbraw/zinc/93/90/09/1358939009.db2.gz WGHLNMOPZJLAMA-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086121824 1359002413 /nfs/dbraw/zinc/00/24/13/1359002413.db2.gz KZFFUFFZKIWTDI-HSALFYBXSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086253619 1359042890 /nfs/dbraw/zinc/04/28/90/1359042890.db2.gz NVFCVWOQLGAVJN-HAGHYFMRSA-N 2 0 347.547 3.092 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001086371022 1359079477 /nfs/dbraw/zinc/07/94/77/1359079477.db2.gz MBGXQTCPGXLACW-GJTWTXHOSA-N 2 0 349.563 3.027 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086456146 1359102354 /nfs/dbraw/zinc/10/23/54/1359102354.db2.gz SLYZUPKBDREZMT-BJLQDIEVSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086477852 1359113834 /nfs/dbraw/zinc/11/38/34/1359113834.db2.gz ASVRKZPHANJVDX-FRYIKTPZSA-N 2 0 349.563 3.029 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001086503039 1359121890 /nfs/dbraw/zinc/12/18/90/1359121890.db2.gz ZSUJKPIZVFKBMQ-MUGJNUQGSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001086783585 1359200824 /nfs/dbraw/zinc/20/08/24/1359200824.db2.gz HNTMPONVZFNYEU-SLFFLAALSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001086783586 1359200840 /nfs/dbraw/zinc/20/08/40/1359200840.db2.gz HNTMPONVZFNYEU-XUVXKRRUSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)c1 ZINC001086882366 1359220310 /nfs/dbraw/zinc/22/03/10/1359220310.db2.gz NVQBSNGATKQCOW-FXAWDEMLSA-N 2 0 343.515 3.036 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907784 1359236448 /nfs/dbraw/zinc/23/64/48/1359236448.db2.gz BNYSCOREVKADKI-IEBWSBKVSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938057 1359260315 /nfs/dbraw/zinc/26/03/15/1359260315.db2.gz GXAMYTAWPCRZFN-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001086937934 1359260729 /nfs/dbraw/zinc/26/07/29/1359260729.db2.gz DHRQIOWFHLZYDA-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086938516 1359260857 /nfs/dbraw/zinc/26/08/57/1359260857.db2.gz SLSYEAGHGMLALQ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942723 1359264091 /nfs/dbraw/zinc/26/40/91/1359264091.db2.gz YYDXXESQKRDKAO-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001087222431 1359325929 /nfs/dbraw/zinc/32/59/29/1359325929.db2.gz BUGLZTIGDWIHOE-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087246437 1359329769 /nfs/dbraw/zinc/32/97/69/1359329769.db2.gz PMKQOEWCGGZPQM-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087312073 1359399956 /nfs/dbraw/zinc/39/99/56/1359399956.db2.gz YVSNRRXJWPWOSQ-QYZOEREBSA-N 2 0 349.563 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)[C@@H]2CC)C1 ZINC001087696749 1359597097 /nfs/dbraw/zinc/59/70/97/1359597097.db2.gz LDKLCOJGWOPQQF-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CCC1CCCC1 ZINC001087726173 1359613568 /nfs/dbraw/zinc/61/35/68/1359613568.db2.gz UMLHCEZGRITHPZ-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC=C(C)C ZINC001087749626 1359626299 /nfs/dbraw/zinc/62/62/99/1359626299.db2.gz RWWXBIHMXAXHFC-GBESFXJTSA-N 2 0 335.536 3.186 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CC1CCC1 ZINC001087749474 1359626922 /nfs/dbraw/zinc/62/69/22/1359626922.db2.gz MVEJNWZGUJIPFC-IPMKNSEASA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCC1CCCC1 ZINC001087773898 1359636651 /nfs/dbraw/zinc/63/66/51/1359636651.db2.gz OBZMDUBISJNQDQ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC1CCCCCC1 ZINC001087799170 1359651081 /nfs/dbraw/zinc/65/10/81/1359651081.db2.gz GVJFTBVOTGIMFR-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088382227 1359865454 /nfs/dbraw/zinc/86/54/54/1359865454.db2.gz XBDBKAXJJFZODG-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001088424939 1359893697 /nfs/dbraw/zinc/89/36/97/1359893697.db2.gz JPLKVKXNXURCSN-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001088430283 1359897825 /nfs/dbraw/zinc/89/78/25/1359897825.db2.gz LIBWNBWJCSRICU-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001088430907 1359898561 /nfs/dbraw/zinc/89/85/61/1359898561.db2.gz BGZIMDAXMLOBJA-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088563844 1359974490 /nfs/dbraw/zinc/97/44/90/1359974490.db2.gz IXHMNHAVVSAUSW-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569506 1359976859 /nfs/dbraw/zinc/97/68/59/1359976859.db2.gz XEQQYDDXGZTDLR-AOIWGVFYSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088605593 1359989044 /nfs/dbraw/zinc/98/90/44/1359989044.db2.gz XPCJISHXWWLHFQ-YZGWKJHDSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001088622218 1359993792 /nfs/dbraw/zinc/99/37/92/1359993792.db2.gz LYOWRLVMEWPFDP-NEWSRXKRSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CC1CCCC1 ZINC001089058863 1360152554 /nfs/dbraw/zinc/15/25/54/1360152554.db2.gz MYEFFPZICVIAKK-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001089061092 1360152765 /nfs/dbraw/zinc/15/27/65/1360152765.db2.gz XSJIRPKYILQCOX-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001089181580 1360230960 /nfs/dbraw/zinc/23/09/60/1360230960.db2.gz VNBDUAGZMRXBSS-NZSAHSFTSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001089215848 1360261053 /nfs/dbraw/zinc/26/10/53/1360261053.db2.gz ZOUZQTAMXWUPIH-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407083 1360405250 /nfs/dbraw/zinc/40/52/50/1360405250.db2.gz VUDPTZUVYYMBNT-MJGOQNOKSA-N 2 0 349.563 3.409 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001089426183 1360419095 /nfs/dbraw/zinc/41/90/95/1360419095.db2.gz HZPPAQGRWWZERB-MRXNPFEDSA-N 2 0 342.487 3.272 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089517839 1360487112 /nfs/dbraw/zinc/48/71/12/1360487112.db2.gz VWZILIMYSNPZHN-LJQANCHMSA-N 2 0 345.531 3.377 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089534045 1360493615 /nfs/dbraw/zinc/49/36/15/1360493615.db2.gz NGYXAQKROVIPFX-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CCCC1 ZINC001089617371 1360537221 /nfs/dbraw/zinc/53/72/21/1360537221.db2.gz ZUSPKTFUYMCFKS-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC1CCC1 ZINC001089617111 1360537453 /nfs/dbraw/zinc/53/74/53/1360537453.db2.gz UNIVZSFFRZVJGO-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649091 1360562102 /nfs/dbraw/zinc/56/21/02/1360562102.db2.gz AJWZSILVHGQVRT-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC001323856601 1387475543 /nfs/dbraw/zinc/47/55/43/1387475543.db2.gz CEZCNBAKSPKFNY-OPYAIIAOSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091111938 1360993533 /nfs/dbraw/zinc/99/35/33/1360993533.db2.gz FVOFFXBPHAVIEK-MHJFOBGBSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071534 1361288340 /nfs/dbraw/zinc/28/83/40/1361288340.db2.gz ZLRPHYFFVOXXNJ-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918632 1361487169 /nfs/dbraw/zinc/48/71/69/1361487169.db2.gz JHNFTUXCRINYEG-NVXWUHKLSA-N 2 0 349.519 3.075 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001093836057 1361704156 /nfs/dbraw/zinc/70/41/56/1361704156.db2.gz UQQZQFXKKGOHBS-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001094040060 1361728241 /nfs/dbraw/zinc/72/82/41/1361728241.db2.gz AZYPHAWUDHTZPD-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001324081727 1387533733 /nfs/dbraw/zinc/53/37/33/1387533733.db2.gz PPTOVTWNCFMTNJ-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528993 1361845565 /nfs/dbraw/zinc/84/55/65/1361845565.db2.gz FJOQNWPGVYGCCL-QKNQBKEWSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001324096913 1387539452 /nfs/dbraw/zinc/53/94/52/1387539452.db2.gz FWHUHKPLQIXDAI-GQNHIRNISA-N 2 0 349.906 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001095498751 1362157728 /nfs/dbraw/zinc/15/77/28/1362157728.db2.gz CPOZOEFGYBDFFJ-YDZRNGNQSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C[NH2+]CC1CC1 ZINC001184891256 1387556081 /nfs/dbraw/zinc/55/60/81/1387556081.db2.gz CRBLDCKDTUFWSH-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCc1ccc(C[NH+]2CCC(C)(NC(=O)CC[N@@H+](C)CC)CC2)cc1 ZINC001324339490 1387597919 /nfs/dbraw/zinc/59/79/19/1387597919.db2.gz GXHBADIBVDXZLC-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)C)ccc2c[nH+]cn21 ZINC001097395021 1362969409 /nfs/dbraw/zinc/96/94/09/1362969409.db2.gz JHCUCOXTOSKTPA-LZQZEXGQSA-N 2 0 340.471 3.024 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097848230 1363140965 /nfs/dbraw/zinc/14/09/65/1363140965.db2.gz NEXBJMHXQWNFLP-AFYVEPGGSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185119922 1387623039 /nfs/dbraw/zinc/62/30/39/1387623039.db2.gz MHVQATVTIFTJCZ-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001098812159 1363477747 /nfs/dbraw/zinc/47/77/47/1363477747.db2.gz AACJEFZHWZJQLK-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001098815127 1363479832 /nfs/dbraw/zinc/47/98/32/1363479832.db2.gz UROZDMVJSUMRGI-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185171477 1387632393 /nfs/dbraw/zinc/63/23/93/1387632393.db2.gz WHWOQAHMOZFPPE-KAGICYHLSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099081247 1363612912 /nfs/dbraw/zinc/61/29/12/1363612912.db2.gz ZHYZMGADFPZVAU-WUYYXPQKSA-N 2 0 349.563 3.290 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115274 1363631176 /nfs/dbraw/zinc/63/11/76/1363631176.db2.gz DENOUBHCVMTNQL-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164503 1363665336 /nfs/dbraw/zinc/66/53/36/1363665336.db2.gz DYRFBEREYARHCM-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF)[NH+](CC)CC ZINC001099228880 1363701919 /nfs/dbraw/zinc/70/19/19/1363701919.db2.gz CLROUXDCTLSRBB-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC001099239411 1363708290 /nfs/dbraw/zinc/70/82/90/1363708290.db2.gz DFNBKMDHNNZMQQ-MOPGFXCFSA-N 2 0 345.531 3.134 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099276799 1363728165 /nfs/dbraw/zinc/72/81/65/1363728165.db2.gz XTGXOPIZZCKNDD-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099311279 1363744871 /nfs/dbraw/zinc/74/48/71/1363744871.db2.gz ZKRBVLWZPWGXJO-OXUXSNCKSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C/C=C/Cl ZINC001099320234 1363747544 /nfs/dbraw/zinc/74/75/44/1363747544.db2.gz HRUVEGOBXMYULC-DHINHOHASA-N 2 0 343.943 3.078 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)C[NH+]2CCCC2)[N@H+](CC2=CCCCC2)C1 ZINC001099339340 1363759526 /nfs/dbraw/zinc/75/95/26/1363759526.db2.gz HBCVKRZQTZMSJT-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100335276 1364082761 /nfs/dbraw/zinc/08/27/61/1364082761.db2.gz ROOPHNMXWFYNFE-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001100405857 1364103958 /nfs/dbraw/zinc/10/39/58/1364103958.db2.gz PXXSREYEIMLEJV-KVZIAJEVSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100405680 1364103966 /nfs/dbraw/zinc/10/39/66/1364103966.db2.gz IMGMLDSHLPLGHU-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406645 1364104235 /nfs/dbraw/zinc/10/42/35/1364104235.db2.gz GNARMFXUYBJXGG-JSEXARSYSA-N 2 0 349.563 3.480 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406721 1364104293 /nfs/dbraw/zinc/10/42/93/1364104293.db2.gz KJOHPSIVGGKKBS-JVSUKQCGSA-N 2 0 335.536 3.090 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100419536 1364108281 /nfs/dbraw/zinc/10/82/81/1364108281.db2.gz WINVFHHQKZAWLJ-MZCYRKOTSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001100426450 1364109782 /nfs/dbraw/zinc/10/97/82/1364109782.db2.gz IRYBAWMEDSXDFF-ACBHZAAOSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001100438207 1364114427 /nfs/dbraw/zinc/11/44/27/1364114427.db2.gz VEEARIBTQKLRPY-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001100456982 1364120579 /nfs/dbraw/zinc/12/05/79/1364120579.db2.gz LXRPWODNDTWGSR-SYJJWHGVSA-N 2 0 349.494 3.101 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100506586 1364139636 /nfs/dbraw/zinc/13/96/36/1364139636.db2.gz AZRCOEPOATWCRG-SNAWJCMRSA-N 2 0 340.471 3.179 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100507012 1364139709 /nfs/dbraw/zinc/13/97/09/1364139709.db2.gz RDCMKILGIVSCEK-KLHKWILBSA-N 2 0 342.487 3.115 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100538052 1364151305 /nfs/dbraw/zinc/15/13/05/1364151305.db2.gz AYWYPIRLKJPIQY-AATRIKPKSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100677033 1364214246 /nfs/dbraw/zinc/21/42/46/1364214246.db2.gz WSLGUBJHKOPIDP-IVMQYODDSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@H+](CC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001100681722 1364216241 /nfs/dbraw/zinc/21/62/41/1364216241.db2.gz QYNABAOPMCTEDB-UHFFFAOYSA-N 2 0 339.568 3.275 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCCCCF)C1 ZINC001100764865 1364251735 /nfs/dbraw/zinc/25/17/35/1364251735.db2.gz JITFKZCHWWFOSE-UHFFFAOYSA-N 2 0 343.531 3.123 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100890205 1364314676 /nfs/dbraw/zinc/31/46/76/1364314676.db2.gz QIZMUOCKIMQNKL-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001100904973 1364324447 /nfs/dbraw/zinc/32/44/47/1364324447.db2.gz PWXNLVCQBLHKGD-VIQWUECVSA-N 2 0 345.531 3.191 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464319 1364573129 /nfs/dbraw/zinc/57/31/29/1364573129.db2.gz CGQDSOZVTLGXPE-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101521874 1364596868 /nfs/dbraw/zinc/59/68/68/1364596868.db2.gz FDNUBDCFZRVDKB-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1)C1CCC1 ZINC001101547444 1364611534 /nfs/dbraw/zinc/61/15/34/1364611534.db2.gz AQCQBNVJRQJKBL-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001101568332 1364623878 /nfs/dbraw/zinc/62/38/78/1364623878.db2.gz ZCFXUMUDSFXEQS-UHFFFAOYSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001101571163 1364625536 /nfs/dbraw/zinc/62/55/36/1364625536.db2.gz LODCQDJQQQAYIW-GOSISDBHSA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001101582162 1364634264 /nfs/dbraw/zinc/63/42/64/1364634264.db2.gz BMRLTBVMHQKIRR-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001101591414 1364642218 /nfs/dbraw/zinc/64/22/18/1364642218.db2.gz ZAQGNJCTFOPORS-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046039 1364822690 /nfs/dbraw/zinc/82/26/90/1364822690.db2.gz JCNSFKWBOOZZDX-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051875 1364823282 /nfs/dbraw/zinc/82/32/82/1364823282.db2.gz RDMOJZZTYQFCAM-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001102264692 1364976320 /nfs/dbraw/zinc/97/63/20/1364976320.db2.gz WAHKQQADKLCZDU-PFRNKHFKSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276600 1364981451 /nfs/dbraw/zinc/98/14/51/1364981451.db2.gz RJZHUWLTDMODKE-BSALYMGKSA-N 2 0 349.563 3.147 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434079 1365052299 /nfs/dbraw/zinc/05/22/99/1365052299.db2.gz NNMXNRVNEJXXJP-CWHLKURSSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520385 1365097438 /nfs/dbraw/zinc/09/74/38/1365097438.db2.gz IJHFNQHLBSBDDU-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596680 1365130286 /nfs/dbraw/zinc/13/02/86/1365130286.db2.gz SMCGOKGJSXFKGK-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103146622 1365408839 /nfs/dbraw/zinc/40/88/39/1365408839.db2.gz QDQMXJBJTDSQKZ-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368512 1365520719 /nfs/dbraw/zinc/52/07/19/1365520719.db2.gz ZFBGJJBPXAVMSM-FTVQKVBOSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001103434278 1365557402 /nfs/dbraw/zinc/55/74/02/1365557402.db2.gz XKCJVNMRUJNPOS-QWFCFKBJSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435914 1365559012 /nfs/dbraw/zinc/55/90/12/1365559012.db2.gz DIPBPQIFAJVALX-AHSYYPKJSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495926 1365596805 /nfs/dbraw/zinc/59/68/05/1365596805.db2.gz ZNUXQTIVZHYRMF-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103612381 1365676066 /nfs/dbraw/zinc/67/60/66/1365676066.db2.gz AWHTZINSDWSUCL-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103663471 1365711545 /nfs/dbraw/zinc/71/15/45/1365711545.db2.gz CRAYTSUXZOLDSI-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCC1CCCCC1 ZINC001103999712 1365867656 /nfs/dbraw/zinc/86/76/56/1365867656.db2.gz IIIWWATUWNJTNN-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001185679309 1387775312 /nfs/dbraw/zinc/77/53/12/1387775312.db2.gz BKZCALGHKOGTNX-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104666508 1366124037 /nfs/dbraw/zinc/12/40/37/1366124037.db2.gz QARWPBOJGCIMJH-QRVBRYPASA-N 2 0 339.568 3.371 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104676700 1366127214 /nfs/dbraw/zinc/12/72/14/1366127214.db2.gz UNHNPBQINWCPBT-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001105025220 1366283530 /nfs/dbraw/zinc/28/35/30/1366283530.db2.gz QFMRWFKIRDSHSD-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001105067301 1366304772 /nfs/dbraw/zinc/30/47/72/1366304772.db2.gz WAEJBQFSWMIFJO-UYAOXDASSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]C(C)C)CCC2)CC[N@@H+]1C ZINC001105539597 1366518696 /nfs/dbraw/zinc/51/86/96/1366518696.db2.gz LDAVDUGNCHUNKK-IPMKNSEASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541626 1366520038 /nfs/dbraw/zinc/52/00/38/1366520038.db2.gz GJPHOZLSULNFDG-GOSISDBHSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1)C1CCC1 ZINC001105541997 1366520072 /nfs/dbraw/zinc/52/00/72/1366520072.db2.gz MYDQEZALMSVOQS-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105562217 1366532435 /nfs/dbraw/zinc/53/24/35/1366532435.db2.gz ZKSWJGFSBQZFMJ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576737 1366541058 /nfs/dbraw/zinc/54/10/58/1366541058.db2.gz MDTKPMRHLNOFDC-IBGZPJMESA-N 2 0 349.563 3.413 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581427 1366742903 /nfs/dbraw/zinc/74/29/03/1366742903.db2.gz CHAQMUSVARZDMX-FYHBMDRXSA-N 2 0 349.563 3.147 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001106599218 1366750980 /nfs/dbraw/zinc/75/09/80/1366750980.db2.gz DMJYSGASZXJZNI-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001106626838 1366758905 /nfs/dbraw/zinc/75/89/05/1366758905.db2.gz NMGKNLITDLESRH-GUDVDZBRSA-N 2 0 345.531 3.000 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109263720 1367032945 /nfs/dbraw/zinc/03/29/45/1367032945.db2.gz HGKBEZSLIUBUOL-FTVQKVBOSA-N 2 0 347.547 3.327 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2)[NH+](C)C ZINC001107554538 1367039566 /nfs/dbraw/zinc/03/95/66/1367039566.db2.gz CDTLWQROTAYSPH-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109290219 1367041218 /nfs/dbraw/zinc/04/12/18/1367041218.db2.gz ZJGBFPNDEXLWPN-PEHGNSNYSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633114 1367083846 /nfs/dbraw/zinc/08/38/46/1367083846.db2.gz KOTSXYKMJTXCIE-QKNQBKEWSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001109463928 1367137673 /nfs/dbraw/zinc/13/76/73/1367137673.db2.gz DGVRLCMIEWOWFJ-SQNIBIBYSA-N 2 0 335.536 3.019 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471942 1367143853 /nfs/dbraw/zinc/14/38/53/1367143853.db2.gz PWHRBSIWOQHBKO-SQNIBIBYSA-N 2 0 335.536 3.161 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)CC1 ZINC001109650112 1367263545 /nfs/dbraw/zinc/26/35/45/1367263545.db2.gz SLSKGBJEHNFOIA-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714288 1367289554 /nfs/dbraw/zinc/28/95/54/1367289554.db2.gz FPUSKJCIOCCAGH-HCXYKTFWSA-N 2 0 337.552 3.409 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1)CC(C)(C)C ZINC001109728883 1367294450 /nfs/dbraw/zinc/29/44/50/1367294450.db2.gz IPEMXKMREMQUBX-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190656382 1367320286 /nfs/dbraw/zinc/32/02/86/1367320286.db2.gz STOQJVVLBVPUCF-MSOLQXFVSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082509 1367420459 /nfs/dbraw/zinc/42/04/59/1367420459.db2.gz ZSAWUCGMVZEZLN-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC1CC(C[N@H+](C)[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001191542315 1367524599 /nfs/dbraw/zinc/52/45/99/1367524599.db2.gz GNCKUVNNMKMXQK-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543805 1367524779 /nfs/dbraw/zinc/52/47/79/1367524779.db2.gz SVPBYDXLJHNFGM-OVKVCFKUSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110151136 1367525986 /nfs/dbraw/zinc/52/59/86/1367525986.db2.gz QVFRZYYGIBHETA-QYZOEREBSA-N 2 0 335.536 3.164 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550309 1367526635 /nfs/dbraw/zinc/52/66/35/1367526635.db2.gz BKUJURRKOGZPEU-IEBWSBKVSA-N 2 0 337.552 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153752 1367527810 /nfs/dbraw/zinc/52/78/10/1367527810.db2.gz JQFSJOYLEPYJKX-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733775 1367565143 /nfs/dbraw/zinc/56/51/43/1367565143.db2.gz GTEHBBUGLPNTSN-NSHGMRRFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108739186 1367567744 /nfs/dbraw/zinc/56/77/44/1367567744.db2.gz UHCKFNOREDGIBV-BZSNNMDCSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001108830554 1367624168 /nfs/dbraw/zinc/62/41/68/1367624168.db2.gz PMHDODFQJREFCF-UHOSZYNNSA-N 2 0 343.515 3.131 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191921350 1367639521 /nfs/dbraw/zinc/63/95/21/1367639521.db2.gz ARNPMZAVWUEVQU-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)CCC(C)(C)C)C2)C1 ZINC001191923103 1367641191 /nfs/dbraw/zinc/64/11/91/1367641191.db2.gz QNJHVYQDCCEXPO-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986805 1367655721 /nfs/dbraw/zinc/65/57/21/1367655721.db2.gz BVNOFUSGCZVBJJ-LKGOPFMKSA-N 2 0 347.503 3.234 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045253 1367673594 /nfs/dbraw/zinc/67/35/94/1367673594.db2.gz BCLLVMTWSWREDI-OALUTQOASA-N 2 0 349.494 3.151 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398335 1367773849 /nfs/dbraw/zinc/77/38/49/1367773849.db2.gz ORDDEOORXRYXPI-HJCTWCACSA-N 2 0 337.552 3.243 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)OC(C)C)CC1)CC(C)C ZINC001192490840 1367795797 /nfs/dbraw/zinc/79/57/97/1367795797.db2.gz UCAQOKAIYKCRND-UHFFFAOYSA-N 2 0 326.525 3.408 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192672165 1367846371 /nfs/dbraw/zinc/84/63/71/1367846371.db2.gz ULCYPFJXONVLIK-RTBURBONSA-N 2 0 337.552 3.362 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192845430 1367886556 /nfs/dbraw/zinc/88/65/56/1367886556.db2.gz ICBJIVAJQCJURE-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192848886 1367887948 /nfs/dbraw/zinc/88/79/48/1367887948.db2.gz YFUMCLBDQFQSAI-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C[C@@H](C)CC)C1 ZINC001192904497 1367900014 /nfs/dbraw/zinc/90/00/14/1367900014.db2.gz AGGKDQRLQSHFTA-ROUUACIJSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661503 1367903776 /nfs/dbraw/zinc/90/37/76/1367903776.db2.gz VTJASIWYVFNGHO-WTGUMLROSA-N 2 0 349.563 3.122 20 0 EGADRP CC[C@@H]1C[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1O ZINC001193000309 1367920337 /nfs/dbraw/zinc/92/03/37/1367920337.db2.gz BOROACNQTYMHRC-NHCUHLMSSA-N 2 0 330.516 3.034 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001110716100 1367944950 /nfs/dbraw/zinc/94/49/50/1367944950.db2.gz LPLLLHYPUWQJLG-WTGUMLROSA-N 2 0 349.563 3.409 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382041 1368016353 /nfs/dbraw/zinc/01/63/53/1368016353.db2.gz FKNKOXZOQLAFEJ-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424603 1368027223 /nfs/dbraw/zinc/02/72/23/1368027223.db2.gz NXBDFIBANYWFRP-PMACEKPBSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560254 1368061163 /nfs/dbraw/zinc/06/11/63/1368061163.db2.gz PLICVINXUZSQKC-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001193639553 1368081429 /nfs/dbraw/zinc/08/14/29/1368081429.db2.gz AUENHYCFFBQOKX-OALUTQOASA-N 2 0 349.494 3.151 20 0 EGADRP O[C@]1(C2CC2)CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001193860788 1368132738 /nfs/dbraw/zinc/13/27/38/1368132738.db2.gz WUIYSLPKPXMXGO-JOCHJYFZSA-N 2 0 342.527 3.178 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028820 1368145081 /nfs/dbraw/zinc/14/50/81/1368145081.db2.gz SBGVPMSHJXOKOY-KURKYZTESA-N 2 0 337.552 3.122 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028736 1368145352 /nfs/dbraw/zinc/14/53/52/1368145352.db2.gz OFVLAXMIDGVBQW-WFJGZTCRSA-N 2 0 335.536 3.042 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001111160229 1368170112 /nfs/dbraw/zinc/17/01/12/1368170112.db2.gz LSAFGFOJUZDOSO-QRVBRYPASA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111165533 1368176036 /nfs/dbraw/zinc/17/60/36/1368176036.db2.gz MWOBADSPNFSJRQ-ZRNYENFQSA-N 2 0 343.515 3.201 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001111169335 1368179719 /nfs/dbraw/zinc/17/97/19/1368179719.db2.gz OJLRABUCYFMSOW-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227262 1368212951 /nfs/dbraw/zinc/21/29/51/1368212951.db2.gz IUGMPLWDDDNOJD-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246535 1368216640 /nfs/dbraw/zinc/21/66/40/1368216640.db2.gz OGLDYXDJKXYWCD-LIXSYLKWSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001194275374 1368222769 /nfs/dbraw/zinc/22/27/69/1368222769.db2.gz SAVODAOCCNEZHE-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001111307610 1368262265 /nfs/dbraw/zinc/26/22/65/1368262265.db2.gz NENXPJXVYDFCEK-AQNXPRMDSA-N 2 0 347.547 3.330 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001111417061 1368303537 /nfs/dbraw/zinc/30/35/37/1368303537.db2.gz XEDUYKLJURYILM-AQNXPRMDSA-N 2 0 347.547 3.164 20 0 EGADRP Cn1cncc1-c1cccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC001194906342 1368344292 /nfs/dbraw/zinc/34/42/92/1368344292.db2.gz DHXXIFJULVSKDR-UHFFFAOYSA-N 2 0 348.450 3.444 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740738 1368437878 /nfs/dbraw/zinc/43/78/78/1368437878.db2.gz LWZUMTCSQLRYRX-ZJOUEHCJSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001111777204 1368456986 /nfs/dbraw/zinc/45/69/86/1368456986.db2.gz SZPYBGGUEJRDIE-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2)[NH+](C)C ZINC001111789070 1368462492 /nfs/dbraw/zinc/46/24/92/1368462492.db2.gz WEARHUXTJRBCLS-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807921 1368473089 /nfs/dbraw/zinc/47/30/89/1368473089.db2.gz NDEAFISEOGAINS-PXNSSMCTSA-N 2 0 340.471 3.109 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC1)C2 ZINC001111903815 1368547478 /nfs/dbraw/zinc/54/74/78/1368547478.db2.gz RBYIFHATLAWAIB-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915282 1368556068 /nfs/dbraw/zinc/55/60/68/1368556068.db2.gz WSRUAOMDYZUCAQ-GVZHBMFQSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196164233 1368561169 /nfs/dbraw/zinc/56/11/69/1368561169.db2.gz ZFDWKMCOUKWTGD-IBGZPJMESA-N 2 0 335.536 3.118 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196200459 1368566890 /nfs/dbraw/zinc/56/68/90/1368566890.db2.gz KHLGATVAMCNXJN-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201318 1368567277 /nfs/dbraw/zinc/56/72/77/1368567277.db2.gz YETPXCZIXDUFBE-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947617 1368570432 /nfs/dbraw/zinc/57/04/32/1368570432.db2.gz RPNUYXFBHNPCOP-YZKSSJSGSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)(C)C)C2 ZINC001111947576 1368570657 /nfs/dbraw/zinc/57/06/57/1368570657.db2.gz PMNBWQHGFWIEMW-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001196339591 1368592500 /nfs/dbraw/zinc/59/25/00/1368592500.db2.gz AOXNXWSRZOTMIV-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004471 1368608240 /nfs/dbraw/zinc/60/82/40/1368608240.db2.gz DPQYOBOFPQAXRR-AJEASFTHSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NC2=CC[C@H](C(F)(F)F)CC2)CC1 ZINC001196890552 1368708492 /nfs/dbraw/zinc/70/84/92/1368708492.db2.gz UKUDDKBNDUTNFO-ZDUSSCGKSA-N 2 0 340.393 3.492 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001197886005 1368919869 /nfs/dbraw/zinc/91/98/69/1368919869.db2.gz NKXRDACUSXJIBU-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001112540021 1368920662 /nfs/dbraw/zinc/92/06/62/1368920662.db2.gz BOKONVIEFOEPEH-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567777 1368931039 /nfs/dbraw/zinc/93/10/39/1368931039.db2.gz HQNIWYNXILRUEZ-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP C[N@H+](CCC(=O)N1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC001113156431 1369233120 /nfs/dbraw/zinc/23/31/20/1369233120.db2.gz FLCZUSMKTLNSRO-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C(=O)N1CC[NH+](CC2CCC3(CC3)CC2)CC1)[NH+](CC)CC ZINC001113341316 1369359293 /nfs/dbraw/zinc/35/92/93/1369359293.db2.gz RZKUGVRNWAAPFL-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC001200838553 1369436835 /nfs/dbraw/zinc/43/68/35/1369436835.db2.gz UHOBWOCJWWEEHU-COPCDDAFSA-N 2 0 341.543 3.361 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001201313524 1369516197 /nfs/dbraw/zinc/51/61/97/1369516197.db2.gz CDTMECGTHRKXMP-OAHLLOKOSA-N 2 0 349.494 3.198 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccccc2CN2CC[NH+](C)CC2)c1 ZINC001201397309 1369536205 /nfs/dbraw/zinc/53/62/05/1369536205.db2.gz ZJQQRKAEPVEGBE-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001201502341 1369558739 /nfs/dbraw/zinc/55/87/39/1369558739.db2.gz HPOHVZHVZRCKHA-QUCCMNQESA-N 2 0 345.531 3.431 20 0 EGADRP CCCC[C@H](CC)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001201561309 1369576409 /nfs/dbraw/zinc/57/64/09/1369576409.db2.gz ZQCVYKFDCPIBOG-SFHVURJKSA-N 2 0 347.547 3.027 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201620567 1369592098 /nfs/dbraw/zinc/59/20/98/1369592098.db2.gz XGWCNAUXBXAIQO-UHFFFAOYSA-N 2 0 340.471 3.109 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ncc(Cl)cc3Cl)cc[nH+]2)CC1 ZINC001201651428 1369596793 /nfs/dbraw/zinc/59/67/93/1369596793.db2.gz UMTYJVMWKFMECD-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP Cc1cc(N)c(Cl)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667639 1369601818 /nfs/dbraw/zinc/60/18/18/1369601818.db2.gz XCECVOUSGXTKRA-UHFFFAOYSA-N 2 0 331.851 3.121 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001202224873 1369717798 /nfs/dbraw/zinc/71/77/98/1369717798.db2.gz KEZPJJIPUQWGFV-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1)[NH+](CC)CC ZINC001202472821 1369782866 /nfs/dbraw/zinc/78/28/66/1369782866.db2.gz DJQSSRAVHMDAQN-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc2c[nH+]cn21 ZINC001325673272 1388026821 /nfs/dbraw/zinc/02/68/21/1388026821.db2.gz MTMUUJUVENJPBX-IFXJQAMLSA-N 2 0 336.439 3.064 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCC[N@@H+](C[C@@H]4CCOC4)C3)CC2)cc1 ZINC001202528757 1369800298 /nfs/dbraw/zinc/80/02/98/1369800298.db2.gz FMAJDVCUQVTKBT-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCC4CCOCC4)C[C@@H]3C2)cc1 ZINC001202638738 1369834807 /nfs/dbraw/zinc/83/48/07/1369834807.db2.gz YELAPULMIQUPBR-NHCUHLMSSA-N 2 0 328.500 3.175 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202763478 1369882819 /nfs/dbraw/zinc/88/28/19/1369882819.db2.gz FNGWVKMHGUAGOE-LJQANCHMSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202863797 1369910818 /nfs/dbraw/zinc/91/08/18/1369910818.db2.gz NAPVMCGNUVDVSD-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001202973276 1369942787 /nfs/dbraw/zinc/94/27/87/1369942787.db2.gz DJUOOHBLMDLIJU-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C23CCC3)CCC1 ZINC001203030563 1369960889 /nfs/dbraw/zinc/96/08/89/1369960889.db2.gz ZRNFYNRTIYSOPZ-SJORKVTESA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2)C1CCC1 ZINC001203035992 1369962623 /nfs/dbraw/zinc/96/26/23/1369962623.db2.gz IRHJVWYHRUTJKO-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2)C1CCC1 ZINC001203044576 1369965322 /nfs/dbraw/zinc/96/53/22/1369965322.db2.gz MTYNZYLWGUVTQO-RBUKOAKNSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502582 1369977424 /nfs/dbraw/zinc/97/74/24/1369977424.db2.gz XXXZGUGXZUMWKD-BWTSREIZSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105360 1369985270 /nfs/dbraw/zinc/98/52/70/1369985270.db2.gz XHOZBQMIZTUDLE-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230702 1370033167 /nfs/dbraw/zinc/03/31/67/1370033167.db2.gz PTTXXIPYMYPTFX-ROUUACIJSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203323441 1370082576 /nfs/dbraw/zinc/08/25/76/1370082576.db2.gz DGHGCBGCGCMNRT-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001203330672 1370084977 /nfs/dbraw/zinc/08/49/77/1370084977.db2.gz OPRAHUJKUXERIM-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CCC(C[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001203407460 1370114868 /nfs/dbraw/zinc/11/48/68/1370114868.db2.gz LOEROFJNKHSCTL-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC001203437183 1370126735 /nfs/dbraw/zinc/12/67/35/1370126735.db2.gz DZMBVGFLDLBLJG-UHFFFAOYSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+][C@H](CC)c2ccccc2)CC1 ZINC001203442762 1370128767 /nfs/dbraw/zinc/12/87/67/1370128767.db2.gz NPHZJDGKUNLXFC-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C23CCC3)CC1 ZINC001203540313 1370162334 /nfs/dbraw/zinc/16/23/34/1370162334.db2.gz VGSLEFGZIOZHJC-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203576549 1370176677 /nfs/dbraw/zinc/17/66/77/1370176677.db2.gz FYXKCMXHUGXSEE-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C12CCC2 ZINC001203604685 1370184475 /nfs/dbraw/zinc/18/44/75/1370184475.db2.gz HIVVFGVYKMCGNE-ROUUACIJSA-N 2 0 337.552 3.314 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203629898 1370192841 /nfs/dbraw/zinc/19/28/41/1370192841.db2.gz DFXRPDOKDATRPY-KAGICYHLSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203740025 1370243900 /nfs/dbraw/zinc/24/39/00/1370243900.db2.gz NTFRRYBOWXFLBO-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203744327 1370245508 /nfs/dbraw/zinc/24/55/08/1370245508.db2.gz ZCCSTPQHWLYPCK-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770162 1370257996 /nfs/dbraw/zinc/25/79/96/1370257996.db2.gz DRSQEKYFAIGAQQ-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203825283 1370280771 /nfs/dbraw/zinc/28/07/71/1370280771.db2.gz SJYLIVGLLLAWQJ-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC001203889132 1370300348 /nfs/dbraw/zinc/30/03/48/1370300348.db2.gz XNVJHIPCNNOBHP-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203902676 1370307580 /nfs/dbraw/zinc/30/75/80/1370307580.db2.gz HPXRDCXDAPMFGU-ZMBJWTFHSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203903830 1370307786 /nfs/dbraw/zinc/30/77/86/1370307786.db2.gz OTDLBMAGBQEMFX-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203903854 1370308364 /nfs/dbraw/zinc/30/83/64/1370308364.db2.gz PMKWAJKQYBCDIA-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904347 1370308814 /nfs/dbraw/zinc/30/88/14/1370308814.db2.gz SQMDNORYMRFONG-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001203933116 1370320168 /nfs/dbraw/zinc/32/01/68/1370320168.db2.gz UMTXGFCYNMYKKQ-LJQANCHMSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1ccsc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001204019374 1370349677 /nfs/dbraw/zinc/34/96/77/1370349677.db2.gz DEEBHHGQEPIXEQ-IEBWSBKVSA-N 2 0 334.529 3.237 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001115338588 1370395331 /nfs/dbraw/zinc/39/53/31/1370395331.db2.gz ODPMSQMNPOVWSU-NXEFXDMPSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC001204262953 1370425630 /nfs/dbraw/zinc/42/56/30/1370425630.db2.gz CDZDFALROIJJPA-HXUWFJFHSA-N 2 0 332.488 3.020 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC001204266984 1370426787 /nfs/dbraw/zinc/42/67/87/1370426787.db2.gz CERGXOVHDCCGAU-HXUWFJFHSA-N 2 0 339.483 3.402 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001115545205 1370541705 /nfs/dbraw/zinc/54/17/05/1370541705.db2.gz WYDBWDXOHMDOEV-FGTMMUONSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559571 1370560069 /nfs/dbraw/zinc/56/00/69/1370560069.db2.gz BJOAOSAZDBWREE-QGZVFWFLSA-N 2 0 343.531 3.265 20 0 EGADRP COC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204743073 1370561715 /nfs/dbraw/zinc/56/17/15/1370561715.db2.gz ZZRGHLFJHNANLM-UHFFFAOYSA-N 2 0 336.863 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@H](C)CC)CCCCC1 ZINC001115563126 1370563030 /nfs/dbraw/zinc/56/30/30/1370563030.db2.gz QULBIMDRZAGVID-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579337 1370582789 /nfs/dbraw/zinc/58/27/89/1370582789.db2.gz IPQQCZHRNKSEBL-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001115591715 1370592301 /nfs/dbraw/zinc/59/23/01/1370592301.db2.gz AZTRXHHIRVZYOU-MOPGFXCFSA-N 2 0 347.547 3.212 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCCC1 ZINC001115592170 1370592887 /nfs/dbraw/zinc/59/28/87/1370592887.db2.gz WZNKYPGQZZJYLI-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP Cc1c(C(=O)NCC2([NH2+]CC3CC3)CCCCC2)ccc2c[nH+]cn21 ZINC001115610008 1370608936 /nfs/dbraw/zinc/60/89/36/1370608936.db2.gz UEDVKTQTJIPKCV-UHFFFAOYSA-N 2 0 340.471 3.075 20 0 EGADRP O=C(NCC1([NH2+]C/C=C\Cl)CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001115617403 1370614144 /nfs/dbraw/zinc/61/41/44/1370614144.db2.gz UQKUODDBAJHKDS-YWEYNIOJSA-N 2 0 346.862 3.109 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(OC(F)F)c(OCC3CC3)c2)CC1 ZINC001205041653 1370636437 /nfs/dbraw/zinc/63/64/37/1370636437.db2.gz ZXMSBMFHTFICNW-UHFFFAOYSA-N 2 0 340.414 3.248 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692068 1370673271 /nfs/dbraw/zinc/67/32/71/1370673271.db2.gz GHRLVZMIZGPFLF-BZSNNMDCSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)c2occc2C[NH+](C)C)CCCCC1 ZINC001115695998 1370677311 /nfs/dbraw/zinc/67/73/11/1370677311.db2.gz AGHIVLPVNVCEDN-UHFFFAOYSA-N 2 0 335.492 3.164 20 0 EGADRP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205219272 1370685440 /nfs/dbraw/zinc/68/54/40/1370685440.db2.gz BNQPFGPFJTUKIK-HXUWFJFHSA-N 2 0 329.488 3.141 20 0 EGADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205221175 1370686394 /nfs/dbraw/zinc/68/63/94/1370686394.db2.gz QMNSBRJPPPIUQT-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)CC1 ZINC001115708188 1370687604 /nfs/dbraw/zinc/68/76/04/1370687604.db2.gz SPRVXTWTRGQPGU-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc(C3([NH3+])CCC3)cc2)cn1 ZINC001205233268 1370689524 /nfs/dbraw/zinc/68/95/24/1370689524.db2.gz NFDRMJZSGOOXOT-UHFFFAOYSA-N 2 0 325.456 3.417 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1)[NH+](CC)CC ZINC001115726512 1370707549 /nfs/dbraw/zinc/70/75/49/1370707549.db2.gz GOWIIRGRDIWBSK-IAGOWNOFSA-N 2 0 343.531 3.264 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729727 1370711763 /nfs/dbraw/zinc/71/17/63/1370711763.db2.gz QJUJMWDMVCYPJL-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCCCC1)[NH+](C)C ZINC001115732908 1370716629 /nfs/dbraw/zinc/71/66/29/1370716629.db2.gz APJUJSSKBHAJKI-IBGZPJMESA-N 2 0 345.531 3.244 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115734456 1370716914 /nfs/dbraw/zinc/71/69/14/1370716914.db2.gz OCAMIOYTXMJNBO-GIFJBRJJSA-N 2 0 337.552 3.482 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420547 1370749412 /nfs/dbraw/zinc/74/94/12/1370749412.db2.gz ZMNDRPSQTIXLQB-YJJPMGAVSA-N 2 0 349.563 3.435 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001115768846 1370753240 /nfs/dbraw/zinc/75/32/40/1370753240.db2.gz JXFOLRLVXCBTCX-RBUKOAKNSA-N 2 0 347.547 3.212 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115786977 1370769824 /nfs/dbraw/zinc/76/98/24/1370769824.db2.gz BSTJTUDBPLFGDG-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519088 1370778335 /nfs/dbraw/zinc/77/83/35/1370778335.db2.gz UWDLMCVPXGJZMT-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001205582357 1370799584 /nfs/dbraw/zinc/79/95/84/1370799584.db2.gz XOGRGZNDRBMXLO-KRWDZBQOSA-N 2 0 336.842 3.179 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001205585638 1370801078 /nfs/dbraw/zinc/80/10/78/1370801078.db2.gz JJRYAIQRASPUPF-UHFFFAOYSA-N 2 0 349.563 3.434 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1O ZINC001205591254 1370802961 /nfs/dbraw/zinc/80/29/61/1370802961.db2.gz IPWVRMQQIZTUJW-HNNXBMFYSA-N 2 0 345.256 3.116 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001205592802 1370803962 /nfs/dbraw/zinc/80/39/62/1370803962.db2.gz YPJMDFMWQYXOAX-QGZVFWFLSA-N 2 0 335.448 3.169 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC[C@@H]1C[NH3+] ZINC001205616560 1370811882 /nfs/dbraw/zinc/81/18/82/1370811882.db2.gz GDGQYKLTHFGTOL-VXGBXAGGSA-N 2 0 340.393 3.389 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618265 1370813285 /nfs/dbraw/zinc/81/32/85/1370813285.db2.gz TYOUOTVRFKYJGB-STQMWFEESA-N 2 0 346.393 3.401 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1OC(F)(F)F ZINC001205628332 1370817637 /nfs/dbraw/zinc/81/76/37/1370817637.db2.gz VCPXXHSRDNJXPM-TZMCWYRMSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205654199 1370829932 /nfs/dbraw/zinc/82/99/32/1370829932.db2.gz WRGHXXNJONKIGM-ZBFHGGJFSA-N 2 0 332.879 3.333 20 0 EGADRP CCc1cccc2cc(CN3CCCC[C@](O)(C[NH3+])C3)c(Cl)nc21 ZINC001205673451 1370837739 /nfs/dbraw/zinc/83/77/39/1370837739.db2.gz QVURBENGCXQVGV-IBGZPJMESA-N 2 0 347.890 3.126 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700460 1370846313 /nfs/dbraw/zinc/84/63/13/1370846313.db2.gz FXIFDOBATDRCQR-UHFFFAOYSA-N 2 0 342.487 3.356 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205761127 1370862489 /nfs/dbraw/zinc/86/24/89/1370862489.db2.gz BINCAFZYIXZTMU-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c2c(OC)cccc12 ZINC001205901039 1370904919 /nfs/dbraw/zinc/90/49/19/1370904919.db2.gz ATWZIJJCZNBBBV-HUUCEWRRSA-N 2 0 328.456 3.416 20 0 EGADRP c1cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)cc(N2CC[NH2+]CC2)c1 ZINC001205908680 1370907005 /nfs/dbraw/zinc/90/70/05/1370907005.db2.gz SJNQEAZNPFJJOB-UHFFFAOYSA-N 2 0 347.506 3.331 20 0 EGADRP Fc1cc(-c2cccc(N3CC[NH2+]CC3)c2)ccc1C[NH+]1CCCC1 ZINC001205936764 1370916528 /nfs/dbraw/zinc/91/65/28/1370916528.db2.gz VBUXWUVXIFUHJR-UHFFFAOYSA-N 2 0 339.458 3.498 20 0 EGADRP CCC1(CC)[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C[C@H]1OC ZINC001116475688 1370920806 /nfs/dbraw/zinc/92/08/06/1370920806.db2.gz CHSYBSJPKQJSKV-WOJBJXKFSA-N 2 0 345.531 3.122 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1OC ZINC001205992526 1370932022 /nfs/dbraw/zinc/93/20/22/1370932022.db2.gz DZSIQZGMXLNCLN-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206012090 1370937727 /nfs/dbraw/zinc/93/77/27/1370937727.db2.gz ITRDKSSIVLYWQN-KGLIPLIRSA-N 2 0 325.884 3.329 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)cc21 ZINC001206027946 1370942114 /nfs/dbraw/zinc/94/21/14/1370942114.db2.gz XJWFAFLYYVUJHY-VQIMIIECSA-N 3 0 327.516 3.495 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC(F)(F)F ZINC001206037363 1370945875 /nfs/dbraw/zinc/94/58/75/1370945875.db2.gz VEAJHXABDNJPMV-GXTWGEPZSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@H]1C ZINC001206110310 1370961510 /nfs/dbraw/zinc/96/15/10/1370961510.db2.gz SUIUJVCXYKLJKP-HZPDHXFCSA-N 2 0 341.503 3.064 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001206125942 1370965333 /nfs/dbraw/zinc/96/53/33/1370965333.db2.gz NSRORGSLZNKECF-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001206138479 1370969505 /nfs/dbraw/zinc/96/95/05/1370969505.db2.gz PKDNLEUBWDZTMT-LJQANCHMSA-N 2 0 349.494 3.057 20 0 EGADRP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[C@@H]1F ZINC001206183114 1370984910 /nfs/dbraw/zinc/98/49/10/1370984910.db2.gz FTUJGSDBFONEOA-STQMWFEESA-N 2 0 338.320 3.185 20 0 EGADRP COC(=O)c1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001116881638 1370994734 /nfs/dbraw/zinc/99/47/34/1370994734.db2.gz WGUMMFYFWCAXMT-IBGZPJMESA-N 2 0 338.451 3.085 20 0 EGADRP Cc1cc(Br)cnc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318294 1371020151 /nfs/dbraw/zinc/02/01/51/1371020151.db2.gz PADNEXDTQUVKFK-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP [NH3+]C[C@@]1(F)CCCCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206335252 1371026773 /nfs/dbraw/zinc/02/67/73/1371026773.db2.gz DDWQXCJLRDUOBX-UXHICEINSA-N 2 0 333.495 3.052 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481383 1371067964 /nfs/dbraw/zinc/06/79/64/1371067964.db2.gz GUBALXZAESFHHY-XJDXJNMNSA-N 2 0 349.563 3.434 20 0 EGADRP COc1ccc2cc(C[NH+]3CCC(CC[NH3+])CC3)c(Cl)nc2c1 ZINC001206500944 1371074431 /nfs/dbraw/zinc/07/44/31/1371074431.db2.gz WPRDPQLLMZUDAG-UHFFFAOYSA-N 2 0 333.863 3.458 20 0 EGADRP CC(C)[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[NH2+]CC1 ZINC001206591619 1371102297 /nfs/dbraw/zinc/10/22/97/1371102297.db2.gz UELXBZJGPIYGDJ-CQSZACIVSA-N 2 0 326.387 3.361 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001206622390 1371111604 /nfs/dbraw/zinc/11/16/04/1371111604.db2.gz BBVCJHKCVNCVMM-GFCCVEGCSA-N 2 0 336.277 3.491 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)s2)cc1 ZINC001206622524 1371111808 /nfs/dbraw/zinc/11/18/08/1371111808.db2.gz DVGDBQNCHCFEBL-AWEZNQCLSA-N 2 0 331.485 3.380 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632213 1371114812 /nfs/dbraw/zinc/11/48/12/1371114812.db2.gz HDRHPNXHFKJQSZ-LBPRGKRZSA-N 2 0 332.366 3.155 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001206755517 1371154679 /nfs/dbraw/zinc/15/46/79/1371154679.db2.gz LDNFRCPDWLVNSN-UHFFFAOYSA-N 2 0 347.462 3.433 20 0 EGADRP COc1c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)ccc(F)c1F ZINC001206761026 1371155396 /nfs/dbraw/zinc/15/53/96/1371155396.db2.gz RPOHGXNRCFVBBR-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP CC(C)Sc1nc2sccn2c1CN1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206767910 1371157700 /nfs/dbraw/zinc/15/77/00/1371157700.db2.gz GBXUWAXAFSMFJB-CHWSQXEVSA-N 2 0 338.546 3.456 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206935676 1371232448 /nfs/dbraw/zinc/23/24/48/1371232448.db2.gz POGRHOMAQFBZSC-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP O=c1[nH]cccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001207006363 1371264726 /nfs/dbraw/zinc/26/47/26/1371264726.db2.gz GORZFRASAHXPKX-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP Cc1ncccc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001207150062 1371311430 /nfs/dbraw/zinc/31/14/30/1371311430.db2.gz WFESYEMRFVAQON-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP CCOCC[NH+](CCOCC)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292161 1371352851 /nfs/dbraw/zinc/35/28/51/1371352851.db2.gz LUMJWVNTQFIEBC-UHFFFAOYSA-N 2 0 348.531 3.274 20 0 EGADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC2(C1)OCCO2 ZINC001207294946 1371354043 /nfs/dbraw/zinc/35/40/43/1371354043.db2.gz WZGGDMJFRQYTIM-FQEVSTJZSA-N 2 0 344.499 3.126 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](CCc1c(Cl)ncnc1Cl)CC2 ZINC001207332829 1371363370 /nfs/dbraw/zinc/36/33/70/1371363370.db2.gz ZSIRMWYCXBKKFC-UHFFFAOYSA-N 2 0 343.302 3.134 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001207486880 1371410741 /nfs/dbraw/zinc/41/07/41/1371410741.db2.gz ONZQOUQMMRDAQT-UHFFFAOYSA-N 2 0 333.495 3.065 20 0 EGADRP C[C@@H]1Cc2cc(C[NH2+]C3CCC(C)([NH+]4CCOCC4)CC3)ccc2O1 ZINC001207485454 1371410998 /nfs/dbraw/zinc/41/09/98/1371410998.db2.gz QSPWEANUXZQPEM-YLZJTPGZSA-N 2 0 344.499 3.133 20 0 EGADRP C[NH+]1CCC(CCN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001207487756 1371411040 /nfs/dbraw/zinc/41/10/40/1371411040.db2.gz QLRGDQIRZOTDBT-JOCHJYFZSA-N 2 0 341.543 3.414 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541199 1371430313 /nfs/dbraw/zinc/43/03/13/1371430313.db2.gz YBWFCDRIPATWIL-FBYXPACISA-N 2 0 349.563 3.432 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CCCCC1 ZINC001119989075 1371443592 /nfs/dbraw/zinc/44/35/92/1371443592.db2.gz FNPMEINALLNWDT-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCCC1 ZINC001120045672 1371467126 /nfs/dbraw/zinc/46/71/26/1371467126.db2.gz CXQLRLJRONZILO-BQYQJAHWSA-N 2 0 337.552 3.483 20 0 EGADRP CCc1ccc(-c2noc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001326276993 1388140644 /nfs/dbraw/zinc/14/06/44/1388140644.db2.gz GSIGMRWVAADYQZ-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP CC1(C[NH+]2CCC3(CC[NH+](Cc4cccs4)CC3)CC2)COC1 ZINC001207795885 1371506291 /nfs/dbraw/zinc/50/62/91/1371506291.db2.gz SLGJAQXGFHKYBM-UHFFFAOYSA-N 2 0 334.529 3.463 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)N(C)C)CCCCC1 ZINC001120213272 1371506406 /nfs/dbraw/zinc/50/64/06/1371506406.db2.gz HTJJLLXAKDWLIS-GOSISDBHSA-N 2 0 331.504 3.108 20 0 EGADRP CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049695 1371580301 /nfs/dbraw/zinc/58/03/01/1371580301.db2.gz QABIOFVYJZWPTK-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049738 1371580481 /nfs/dbraw/zinc/58/04/81/1371580481.db2.gz QMMJIQYQKZQLFO-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208109564 1371597662 /nfs/dbraw/zinc/59/76/62/1371597662.db2.gz PAXKBOIGOSHBSX-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163534 1371614550 /nfs/dbraw/zinc/61/45/50/1371614550.db2.gz IVBMLDSCJJZAEF-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310419 1388149668 /nfs/dbraw/zinc/14/96/68/1388149668.db2.gz FCUASCLFMDDRII-UHFFFAOYSA-N 2 0 325.456 3.125 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258169 1371687481 /nfs/dbraw/zinc/68/74/81/1371687481.db2.gz BVUCXJHTVYUGSU-HOCLYGCPSA-N 2 0 337.533 3.050 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208279090 1371696244 /nfs/dbraw/zinc/69/62/44/1371696244.db2.gz HLRXUDCYWIQQMS-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334280 1371722245 /nfs/dbraw/zinc/72/22/45/1371722245.db2.gz HQSJZEUMTAERDX-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001208447153 1371769707 /nfs/dbraw/zinc/76/97/07/1371769707.db2.gz IXVREEVAFWLGGB-AEFFLSMTSA-N 2 0 331.504 3.059 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208467748 1371779401 /nfs/dbraw/zinc/77/94/01/1371779401.db2.gz TYJHEAXKQZKLPH-CHYADLBTSA-N 2 0 340.471 3.193 20 0 EGADRP Cc1c(C(=O)N2CCC[C@@H]([NH2+]CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001208470803 1371780276 /nfs/dbraw/zinc/78/02/76/1371780276.db2.gz LBAWYIJNVCMKQQ-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208498282 1371788497 /nfs/dbraw/zinc/78/84/97/1371788497.db2.gz OXDOBVDXFIDHAO-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001208588399 1371830210 /nfs/dbraw/zinc/83/02/10/1371830210.db2.gz HSCNJQLBINBRTA-NRFANRHFSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208592853 1371830989 /nfs/dbraw/zinc/83/09/89/1371830989.db2.gz LLVZZGSGLFXBLJ-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)Cc2cncc(Br)c2)CC1 ZINC001208596720 1371835011 /nfs/dbraw/zinc/83/50/11/1371835011.db2.gz WQGSPPIGFNNGAY-UHFFFAOYSA-N 2 0 326.282 3.008 20 0 EGADRP CC[N@H+](CC1CC[NH+](CC)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001208598633 1371835385 /nfs/dbraw/zinc/83/53/85/1371835385.db2.gz VHCKEVKGNXPCDQ-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@H]2c2ccccc2)CC1 ZINC001208602843 1371836109 /nfs/dbraw/zinc/83/61/09/1371836109.db2.gz OYZGDMCCOXJTHL-UXHICEINSA-N 2 0 344.499 3.345 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](C(=O)OC)C[C@H]2c2ccccc2)CC1 ZINC001208602842 1371836539 /nfs/dbraw/zinc/83/65/39/1371836539.db2.gz OYZGDMCCOXJTHL-PMACEKPBSA-N 2 0 344.499 3.345 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001208603019 1371837487 /nfs/dbraw/zinc/83/74/87/1371837487.db2.gz RSCHTONHFYXZEE-OAQYLSRUSA-N 2 0 342.483 3.060 20 0 EGADRP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CC[C@@H](C)CC(C)(C)C)CC2 ZINC001208654554 1371853654 /nfs/dbraw/zinc/85/36/54/1371853654.db2.gz LUTGQNXNJOWHKU-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCC(C)(C)C)C3)CC[N@@H+]1C ZINC001121134034 1371862698 /nfs/dbraw/zinc/86/26/98/1371862698.db2.gz PIHMKLXMQIGDQR-KBMBEYODSA-N 2 0 349.563 3.170 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1C)[NH+](C)C ZINC001208699089 1371866530 /nfs/dbraw/zinc/86/65/30/1371866530.db2.gz LGMCLSQHDUJNRL-QRQLOZEOSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208750081 1371883538 /nfs/dbraw/zinc/88/35/38/1371883538.db2.gz YFAKSRQKXXKBSO-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208771202 1371891123 /nfs/dbraw/zinc/89/11/23/1371891123.db2.gz SLJVRDQMAZIIQC-UHFFFAOYSA-N 2 0 335.511 3.108 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121234035 1371902910 /nfs/dbraw/zinc/90/29/10/1371902910.db2.gz VZEATXLHNRNMGB-WZXTXQKWSA-N 2 0 335.536 3.066 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294985 1371926535 /nfs/dbraw/zinc/92/65/35/1371926535.db2.gz KHGYOIYMDABKHR-YDXWLCMNSA-N 2 0 347.547 3.234 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208931028 1371951000 /nfs/dbraw/zinc/95/10/00/1371951000.db2.gz GYWZGWJPPDXAPX-PCCBWWKXSA-N 2 0 328.500 3.400 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208940051 1371953869 /nfs/dbraw/zinc/95/38/69/1371953869.db2.gz OEAZXZRZHYRNSK-NHCUHLMSSA-N 2 0 328.500 3.401 20 0 EGADRP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208937111 1371954209 /nfs/dbraw/zinc/95/42/09/1371954209.db2.gz REXDHJQJXTVPQT-WOJBJXKFSA-N 2 0 344.499 3.174 20 0 EGADRP C[N@H+](C1CC1)[C@H]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208942896 1371957017 /nfs/dbraw/zinc/95/70/17/1371957017.db2.gz JXMWGCLBYVHEIJ-CTNGQTDRSA-N 2 0 327.516 3.067 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001121402286 1371963707 /nfs/dbraw/zinc/96/37/07/1371963707.db2.gz LMCSPFAHXSDZMR-YADNIXQGSA-N 2 0 340.471 3.011 20 0 EGADRP F[C@H]1CN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001208965437 1371965571 /nfs/dbraw/zinc/96/55/71/1371965571.db2.gz ZSGMEZLUDKORCL-PCCBWWKXSA-N 2 0 345.506 3.017 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209133476 1372009545 /nfs/dbraw/zinc/00/95/45/1372009545.db2.gz FDOFBKFBKZSKNN-AHSYYPKJSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)CC1 ZINC001209144769 1372012997 /nfs/dbraw/zinc/01/29/97/1372012997.db2.gz KIMUJDLUDGYNRV-UHFFFAOYSA-N 2 0 328.500 3.218 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001121653841 1372036953 /nfs/dbraw/zinc/03/69/53/1372036953.db2.gz MRYQTMBUPMAMIE-SREVYHEPSA-N 2 0 347.547 3.092 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250720 1372051359 /nfs/dbraw/zinc/05/13/59/1372051359.db2.gz IMVDPNTWYZTOFA-OXPKLIQGSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772501 1372076432 /nfs/dbraw/zinc/07/64/32/1372076432.db2.gz BTOVSTOVSWVGRC-IAAUGFHKSA-N 2 0 349.563 3.027 20 0 EGADRP CCN(CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209450771 1372109277 /nfs/dbraw/zinc/10/92/77/1372109277.db2.gz LJCVJQRMICJTEB-OAQYLSRUSA-N 2 0 329.532 3.459 20 0 EGADRP CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001209455044 1372110743 /nfs/dbraw/zinc/11/07/43/1372110743.db2.gz WUQGEFOJESZMFA-OAQYLSRUSA-N 2 0 329.532 3.459 20 0 EGADRP Cc1cccc2c(C[N@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c[nH]c21 ZINC001209483923 1372117431 /nfs/dbraw/zinc/11/74/31/1372117431.db2.gz CFGXMNZRAUTYQQ-KDURUIRLSA-N 2 0 346.478 3.435 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001121902341 1372119007 /nfs/dbraw/zinc/11/90/07/1372119007.db2.gz WPNNPINMVWUFNB-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121935300 1372127035 /nfs/dbraw/zinc/12/70/35/1372127035.db2.gz LWISGHAFZSZUJU-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCCC1 ZINC001121971822 1372139042 /nfs/dbraw/zinc/13/90/42/1372139042.db2.gz HKSVOQSTXXFDDG-IHPCNDPISA-N 2 0 347.547 3.007 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2F)C1)[NH+](CC)CC ZINC001209588297 1372144674 /nfs/dbraw/zinc/14/46/74/1372144674.db2.gz GCLUKGULROTANC-MJGOQNOKSA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC001121997733 1372148908 /nfs/dbraw/zinc/14/89/08/1372148908.db2.gz ZLNMTRDIQPQKFH-PBHICJAKSA-N 2 0 349.544 3.246 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122064304 1372166603 /nfs/dbraw/zinc/16/66/03/1372166603.db2.gz XZVUVGMZCOKUSP-CGAYHSHTSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122237796 1372208753 /nfs/dbraw/zinc/20/87/53/1372208753.db2.gz OGFTVBCKZKKZMY-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209939094 1372236815 /nfs/dbraw/zinc/23/68/15/1372236815.db2.gz BQJSKGRIIDRGQF-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209940577 1372237678 /nfs/dbraw/zinc/23/76/78/1372237678.db2.gz NOICOTCGYNNUFR-XOIGSVRCSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001209951479 1372239900 /nfs/dbraw/zinc/23/99/00/1372239900.db2.gz LNAMVVLFLHZEFK-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210132784 1372277735 /nfs/dbraw/zinc/27/77/35/1372277735.db2.gz IISINYPGZDCZAF-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1cc(C)n(-c2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)n1 ZINC001210266442 1372310258 /nfs/dbraw/zinc/31/02/58/1372310258.db2.gz MKKUTJLMZOLXNX-UHFFFAOYSA-N 2 0 348.454 3.037 20 0 EGADRP Clc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c2ccncc12 ZINC001210266060 1372310384 /nfs/dbraw/zinc/31/03/84/1372310384.db2.gz KGDRADHAJNNLFP-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP Cc1nc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc2s1 ZINC001210266907 1372310475 /nfs/dbraw/zinc/31/04/75/1372310475.db2.gz SWGKOKUIYZTMBQ-UHFFFAOYSA-N 2 0 325.441 3.153 20 0 EGADRP Cc1ccc(Br)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210269088 1372311230 /nfs/dbraw/zinc/31/12/30/1372311230.db2.gz NBKUIWYQYFXUCX-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccc1Br ZINC001210268447 1372311518 /nfs/dbraw/zinc/31/15/18/1372311518.db2.gz AHKLSEMFUNQSRM-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210283632 1372314014 /nfs/dbraw/zinc/31/40/14/1372314014.db2.gz QCKCOUTWWCJWEX-SFFCAUCYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210493738 1372366120 /nfs/dbraw/zinc/36/61/20/1372366120.db2.gz OPMUGTLYZQDQOU-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001210643870 1372398720 /nfs/dbraw/zinc/39/87/20/1372398720.db2.gz LYRYVUCTGXVSOJ-PMACEKPBSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001210744595 1372417667 /nfs/dbraw/zinc/41/76/67/1372417667.db2.gz SCTORMIGIIRTOQ-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001210750806 1372419308 /nfs/dbraw/zinc/41/93/08/1372419308.db2.gz LRGXVKRLDANXPW-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001210783489 1372426086 /nfs/dbraw/zinc/42/60/86/1372426086.db2.gz TXDLOLQUYMGIJX-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001210788643 1372426777 /nfs/dbraw/zinc/42/67/77/1372426777.db2.gz HCLUFIHJUKWVHO-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211240167 1372509418 /nfs/dbraw/zinc/50/94/18/1372509418.db2.gz GGQLYTBCKCJKEB-XJDXJNMNSA-N 2 0 343.515 3.299 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001211256570 1372513691 /nfs/dbraw/zinc/51/36/91/1372513691.db2.gz JFFSVPSIZSFZFQ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC001211367336 1372541597 /nfs/dbraw/zinc/54/15/97/1372541597.db2.gz QJUIZLRBQRSSQH-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cccc3nccc(Cl)c32)no1 ZINC001212337675 1372690213 /nfs/dbraw/zinc/69/02/13/1372690213.db2.gz AHNUHEYGQVLXPF-KRWDZBQOSA-N 2 0 345.834 3.241 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc(F)c(O)c(Cl)c2)CC1 ZINC001214486723 1373069171 /nfs/dbraw/zinc/06/91/71/1373069171.db2.gz WQHPRNJKOSIBGA-UHFFFAOYSA-N 2 0 336.798 3.075 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001127066639 1373079856 /nfs/dbraw/zinc/07/98/56/1373079856.db2.gz QYWZQHZKUCDLHB-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001127066638 1373079921 /nfs/dbraw/zinc/07/99/21/1373079921.db2.gz QYWZQHZKUCDLHB-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)(C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)[NH+]1CCCCC1 ZINC001127327816 1373116036 /nfs/dbraw/zinc/11/60/36/1373116036.db2.gz XRVKYQCLQAHGLP-IBGZPJMESA-N 2 0 343.515 3.034 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001188106190 1388243348 /nfs/dbraw/zinc/24/33/48/1388243348.db2.gz CMFOOMHOADEEQL-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP Cc1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cnc1OC(C)C ZINC001214940468 1373145984 /nfs/dbraw/zinc/14/59/84/1373145984.db2.gz NZGAHSBKNYZUPI-UHFFFAOYSA-N 2 0 341.459 3.068 20 0 EGADRP Cc1cc(OC(C)C)ncc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001215770265 1373235474 /nfs/dbraw/zinc/23/54/74/1373235474.db2.gz ALNUZJQQJZEEMK-UHFFFAOYSA-N 2 0 341.459 3.068 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccc(N3CC[NH+](C)CC3)c2)c1F ZINC001216231290 1373285969 /nfs/dbraw/zinc/28/59/69/1373285969.db2.gz WVEFPAPZPMBBAI-UHFFFAOYSA-N 2 0 342.462 3.383 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001216829210 1373348426 /nfs/dbraw/zinc/34/84/26/1373348426.db2.gz SARQLFLZGYEWEP-AJWBFMOXSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001216833972 1373348990 /nfs/dbraw/zinc/34/89/90/1373348990.db2.gz CULPHGKELVYJOV-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001216980507 1373375058 /nfs/dbraw/zinc/37/50/58/1373375058.db2.gz KGUPHQQUMAEWQG-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001129442487 1373384223 /nfs/dbraw/zinc/38/42/23/1373384223.db2.gz BAUHTMGFCQRFSC-BEFAXECRSA-N 2 0 345.531 3.091 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001130299779 1373487724 /nfs/dbraw/zinc/48/77/24/1373487724.db2.gz CROSCEJYHBJGNO-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP Clc1ccc([C@H]2C[C@@H]2c2nnc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1 ZINC001217756856 1373498985 /nfs/dbraw/zinc/49/89/85/1373498985.db2.gz AOHSXEWGFAIXQL-CVEARBPZSA-N 2 0 346.862 3.083 20 0 EGADRP C[NH2+][C@H]1C[C@@H](Oc2ccc(C[NH+]3CCCCC3)c3cccnc23)C1 ZINC001217955478 1373518512 /nfs/dbraw/zinc/51/85/12/1373518512.db2.gz BOWKUAFQDINQPM-CALCHBBNSA-N 2 0 325.456 3.350 20 0 EGADRP CC[C@@H](c1cccc(OC[C@@H]2CCC3(C[NH2+]C3)O2)c1)[C@@H](C)C[NH+](C)C ZINC001218068458 1373553027 /nfs/dbraw/zinc/55/30/27/1373553027.db2.gz OHSXDFYZKLXRTR-FFZOFVMBSA-N 2 0 346.515 3.278 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001130713687 1373583819 /nfs/dbraw/zinc/58/38/19/1373583819.db2.gz XQLVKOMGZITCGG-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC001218953110 1373670515 /nfs/dbraw/zinc/67/05/15/1373670515.db2.gz HSXCTKJDJRYYOT-IBGZPJMESA-N 2 0 341.455 3.018 20 0 EGADRP CC(C)=CCC/C(C)=C/CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220298309 1373764183 /nfs/dbraw/zinc/76/41/83/1373764183.db2.gz ICBYOXPXLDKQGS-XSORJCKLSA-N 2 0 347.547 3.259 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552767 1373780266 /nfs/dbraw/zinc/78/02/66/1373780266.db2.gz CGFYFNOSNIPULZ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848212 1373798228 /nfs/dbraw/zinc/79/82/28/1373798228.db2.gz DWEFTAYNPVNCAV-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001131799845 1373809630 /nfs/dbraw/zinc/80/96/30/1373809630.db2.gz XTKFKEGGOBFAQQ-UHFFFAOYSA-N 2 0 343.515 3.001 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+]CC1CCCCCC1)C1CCCCC1 ZINC001131815928 1373819644 /nfs/dbraw/zinc/81/96/44/1373819644.db2.gz ZTLMWWJZHOTHAT-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815846 1373819969 /nfs/dbraw/zinc/81/99/69/1373819969.db2.gz WJOJNTQDJDPJSX-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001326760173 1388301611 /nfs/dbraw/zinc/30/16/11/1388301611.db2.gz HUVKKJRPODHGDX-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2CC[NH+](CCC3CC3)CC2)CCCCC1 ZINC001223928466 1375048084 /nfs/dbraw/zinc/04/80/84/1375048084.db2.gz DSKKFKKOIXDUTC-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188674044 1388358271 /nfs/dbraw/zinc/35/82/71/1388358271.db2.gz YGAUZPXLAFFRIL-CEXWTWQISA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225550653 1375123300 /nfs/dbraw/zinc/12/33/00/1375123300.db2.gz SYDUXGYTGUPFJW-KXBFYZLASA-N 2 0 339.439 3.084 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC(C)(C)C ZINC001132105546 1375149909 /nfs/dbraw/zinc/14/99/09/1375149909.db2.gz ITJHPUASLBXCGQ-SJORKVTESA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC(C)(C)C ZINC001132105545 1375150128 /nfs/dbraw/zinc/15/01/28/1375150128.db2.gz ITJHPUASLBXCGQ-IRXDYDNUSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1CCCCC1 ZINC001132106427 1375151775 /nfs/dbraw/zinc/15/17/75/1375151775.db2.gz UICKDXDBNRYLGX-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CCCCC1 ZINC001132110665 1375153582 /nfs/dbraw/zinc/15/35/82/1375153582.db2.gz KUZPXCGMMYITPI-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140265 1375167034 /nfs/dbraw/zinc/16/70/34/1375167034.db2.gz HADWTBAKCDIBOE-SJORKVTESA-N 2 0 337.552 3.265 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CCC1CC1 ZINC001132141530 1375167831 /nfs/dbraw/zinc/16/78/31/1375167831.db2.gz RLHJSIUCUSRDEU-AEFFLSMTSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CC1CC1 ZINC001132142143 1375168802 /nfs/dbraw/zinc/16/88/02/1375168802.db2.gz YAKGQLNNURHLGC-NVXWUHKLSA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132149129 1375170873 /nfs/dbraw/zinc/17/08/73/1375170873.db2.gz GHYZQLGXRZNMAH-ASIGSXEYSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152380 1375171646 /nfs/dbraw/zinc/17/16/46/1375171646.db2.gz BBCPGUHFFRBFRY-DOTOQJQBSA-N 2 0 325.541 3.122 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152381 1375171890 /nfs/dbraw/zinc/17/18/90/1375171890.db2.gz BBCPGUHFFRBFRY-NVXWUHKLSA-N 2 0 325.541 3.122 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202188 1375205883 /nfs/dbraw/zinc/20/58/83/1375205883.db2.gz DPLQCUXBAHUQPH-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CC1CC1 ZINC001132206638 1375208720 /nfs/dbraw/zinc/20/87/20/1375208720.db2.gz MLKXXCWUUBUCLT-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211053 1375211932 /nfs/dbraw/zinc/21/19/32/1375211932.db2.gz LMKKBKPCRCPKGX-ROUUACIJSA-N 2 0 335.536 3.186 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132249454 1375243787 /nfs/dbraw/zinc/24/37/87/1375243787.db2.gz PCBCSMZLYLCMND-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCCC(C)(C)C ZINC001132266032 1375255978 /nfs/dbraw/zinc/25/59/78/1375255978.db2.gz VCMBYPKWDBRYAV-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277459 1375261358 /nfs/dbraw/zinc/26/13/58/1375261358.db2.gz HGCXRYOUEMWDRN-PKOBYXMFSA-N 2 0 345.531 3.231 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311476 1375289613 /nfs/dbraw/zinc/28/96/13/1375289613.db2.gz URFDLTMGOHZICM-SJLPKXTDSA-N 2 0 339.568 3.370 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001226891877 1375354140 /nfs/dbraw/zinc/35/41/40/1375354140.db2.gz WAGYQGMGLZFCIY-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132409673 1375358531 /nfs/dbraw/zinc/35/85/31/1375358531.db2.gz COZBIGOKSDVCMQ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132436098 1375381140 /nfs/dbraw/zinc/38/11/40/1375381140.db2.gz IQQLGVVWYLABRK-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001227083855 1375386357 /nfs/dbraw/zinc/38/63/57/1375386357.db2.gz ZCBVRLNSENTVRR-QRVBRYPASA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001132492099 1375423634 /nfs/dbraw/zinc/42/36/34/1375423634.db2.gz CEAMGIOCSZEPDH-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494969 1375424694 /nfs/dbraw/zinc/42/46/94/1375424694.db2.gz ZMNLOHUXGJQGAP-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1Cc1ccsc1 ZINC001132517405 1375436072 /nfs/dbraw/zinc/43/60/72/1375436072.db2.gz BXNHLDJGTHUTJN-WMZOPIPTSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132518670 1375437024 /nfs/dbraw/zinc/43/70/24/1375437024.db2.gz MNZQNUDABBYEPG-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)cc1 ZINC001132519441 1375437336 /nfs/dbraw/zinc/43/73/36/1375437336.db2.gz YYBJBASZNARWMU-PXNSSMCTSA-N 2 0 345.531 3.058 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC001132524366 1375440393 /nfs/dbraw/zinc/44/03/93/1375440393.db2.gz GJKBHIAHTMYHLX-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCC1CCCC1 ZINC001132524348 1375440405 /nfs/dbraw/zinc/44/04/05/1375440405.db2.gz GFFOENONXDZFIU-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132525493 1375441349 /nfs/dbraw/zinc/44/13/49/1375441349.db2.gz SMQZFBBKHZTEFE-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548805 1375455980 /nfs/dbraw/zinc/45/59/80/1375455980.db2.gz JGSPYFHJPXCQMS-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227751085 1375470914 /nfs/dbraw/zinc/47/09/14/1375470914.db2.gz WVOJNZVBWOURAE-KZNAEPCWSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227792780 1375475658 /nfs/dbraw/zinc/47/56/58/1375475658.db2.gz VPLLKXPAHNPNJY-UEKDZROGSA-N 2 0 335.536 3.186 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001228261323 1375536501 /nfs/dbraw/zinc/53/65/01/1375536501.db2.gz JMFWKTVWSKXDBL-VAMGGRTRSA-N 2 0 343.515 3.033 20 0 EGADRP O=C(NCC[NH2+]CCCC1CCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795512 1375568332 /nfs/dbraw/zinc/56/83/32/1375568332.db2.gz TWHGCFMNKSCPBZ-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795078 1375568399 /nfs/dbraw/zinc/56/83/99/1375568399.db2.gz NFDOOYSCWFYBOA-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCC[NH2+]CC1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794871 1375568890 /nfs/dbraw/zinc/56/88/90/1375568890.db2.gz IXAGSRRKZGVBNJ-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132832813 1375589826 /nfs/dbraw/zinc/58/98/26/1375589826.db2.gz ZZUHPCDZQRRSOT-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)[NH+](CC)CC ZINC001228558578 1375597357 /nfs/dbraw/zinc/59/73/57/1375597357.db2.gz CCLAMENUKFNXBK-KURKYZTESA-N 2 0 343.531 3.264 20 0 EGADRP C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001132892944 1375629125 /nfs/dbraw/zinc/62/91/25/1375629125.db2.gz KOAGJTXQJIGFNL-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001132938605 1375657357 /nfs/dbraw/zinc/65/73/57/1375657357.db2.gz WJZUUCRZDFBRDI-IAGOWNOFSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132955243 1375671407 /nfs/dbraw/zinc/67/14/07/1375671407.db2.gz RBJRJLRZZFRBPF-SJLPKXTDSA-N 2 0 342.487 3.212 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973680 1375687895 /nfs/dbraw/zinc/68/78/95/1375687895.db2.gz PFTBEGFKYYVSEU-SJLPKXTDSA-N 2 0 342.487 3.212 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001228932746 1375720553 /nfs/dbraw/zinc/72/05/53/1375720553.db2.gz ULFZAWBLEXUGOY-GUDVDZBRSA-N 2 0 337.552 3.458 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229058774 1375754019 /nfs/dbraw/zinc/75/40/19/1375754019.db2.gz VUNWCNBMDHGGAT-VQTJNVASSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001229073240 1375756782 /nfs/dbraw/zinc/75/67/82/1375756782.db2.gz DURYNFAPYXRXET-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001229171727 1375780517 /nfs/dbraw/zinc/78/05/17/1375780517.db2.gz RAVGMIMXMGQPBQ-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001229213898 1375789107 /nfs/dbraw/zinc/78/91/07/1375789107.db2.gz MYUGOWKOGGPECP-KFKAGJAMSA-N 2 0 349.494 3.246 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165370 1375818479 /nfs/dbraw/zinc/81/84/79/1375818479.db2.gz FUJVELJHMPDKQG-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229656094 1375873049 /nfs/dbraw/zinc/87/30/49/1375873049.db2.gz XYLQLPREOAULOL-SFHVURJKSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001229664895 1375873609 /nfs/dbraw/zinc/87/36/09/1375873609.db2.gz WZBUIOHLFKGKIH-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1C ZINC001229859686 1375905302 /nfs/dbraw/zinc/90/53/02/1375905302.db2.gz BNLPAPGMNWTPQO-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001133310952 1375915369 /nfs/dbraw/zinc/91/53/69/1375915369.db2.gz TXHHQSHDKCMQED-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001230378166 1376011193 /nfs/dbraw/zinc/01/11/93/1376011193.db2.gz JOQGIRHQXHMQHW-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230538550 1376062484 /nfs/dbraw/zinc/06/24/84/1376062484.db2.gz VVHXZJBLWTYKNG-TZFVZSICSA-N 2 0 347.547 3.140 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230597950 1376093167 /nfs/dbraw/zinc/09/31/67/1376093167.db2.gz ARLFVEDHJGFNQG-COJDAZNPSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001230622801 1376105232 /nfs/dbraw/zinc/10/52/32/1376105232.db2.gz QWHLYBSVEJYSLI-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231826442 1376323010 /nfs/dbraw/zinc/32/30/10/1376323010.db2.gz NXFYLDXMCBUQIW-KGLIPLIRSA-N 2 0 346.368 3.307 20 0 EGADRP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001232012392 1376382098 /nfs/dbraw/zinc/38/20/98/1376382098.db2.gz HZYJJERDTCKFBB-SUMWQHHRSA-N 2 0 342.443 3.004 20 0 EGADRP COc1cccc(C)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001232621060 1376491034 /nfs/dbraw/zinc/49/10/34/1376491034.db2.gz CHJIWHOEXSOCSJ-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(O)cc(Br)c3)C2)CC1 ZINC001232999023 1376553586 /nfs/dbraw/zinc/55/35/86/1376553586.db2.gz NHIQWOISKHMXCS-UHFFFAOYSA-N 2 0 339.277 3.072 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1sccc1C[NH+](C)C)[NH2+]C/C=C\Cl ZINC001134518998 1376574945 /nfs/dbraw/zinc/57/49/45/1376574945.db2.gz IVUXFKJFYUCSKK-XHSUHYBKSA-N 2 0 343.924 3.049 20 0 EGADRP Cc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1O ZINC001233230229 1376594492 /nfs/dbraw/zinc/59/44/92/1376594492.db2.gz DVXOAYXLYOWVED-UHFFFAOYSA-N 2 0 332.488 3.025 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001134582924 1376606994 /nfs/dbraw/zinc/60/69/94/1376606994.db2.gz BPJOMIYIRPVZLH-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc3cccc(Cl)n13)CC2 ZINC001233359761 1376628032 /nfs/dbraw/zinc/62/80/32/1376628032.db2.gz KYUZWWSXZZCENB-UHFFFAOYSA-N 2 0 332.879 3.296 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001134765932 1376710274 /nfs/dbraw/zinc/71/02/74/1376710274.db2.gz AOHJALPSGAIYDU-MJGOQNOKSA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001134766859 1376710346 /nfs/dbraw/zinc/71/03/46/1376710346.db2.gz OCIYSMJZOONMFK-WOJBJXKFSA-N 2 0 343.515 3.033 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001134772235 1376711948 /nfs/dbraw/zinc/71/19/48/1376711948.db2.gz AIIPCFPRBWZMHE-HUUCEWRRSA-N 2 0 325.541 3.026 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109831 1388460217 /nfs/dbraw/zinc/46/02/17/1388460217.db2.gz GCJLMMZUEDZKPH-GBESFXJTSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001234024693 1376756511 /nfs/dbraw/zinc/75/65/11/1376756511.db2.gz KIUJLSLCLPFVMT-MRXNPFEDSA-N 2 0 335.407 3.297 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1)[NH2+]CCC(C)(C)C ZINC001134887632 1376768257 /nfs/dbraw/zinc/76/82/57/1376768257.db2.gz DNMLSJGLLCPXBA-CABCVRRESA-N 2 0 330.476 3.257 20 0 EGADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001235017137 1376827905 /nfs/dbraw/zinc/82/79/05/1376827905.db2.gz BRHRMJHETGCVCF-UHOSZYNNSA-N 2 0 338.495 3.344 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235038222 1376836469 /nfs/dbraw/zinc/83/64/69/1376836469.db2.gz DPSRSVNTDWTEGE-OAQYLSRUSA-N 2 0 344.499 3.404 20 0 EGADRP CC(=O)Nc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(C)c1 ZINC001235242640 1376862674 /nfs/dbraw/zinc/86/26/74/1376862674.db2.gz SWNIEKVYSOFIRT-HXUWFJFHSA-N 2 0 329.488 3.308 20 0 EGADRP Cc1ccc(Br)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1F ZINC001235339332 1376867656 /nfs/dbraw/zinc/86/76/56/1376867656.db2.gz JDESQEAYVICFLF-UHFFFAOYSA-N 2 0 341.268 3.328 20 0 EGADRP COc1ccc2[nH]cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431108 1376871694 /nfs/dbraw/zinc/87/16/94/1376871694.db2.gz UQILFCRQBGJZDJ-HOTGVXAUSA-N 2 0 327.472 3.388 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1)[NH2+]CCCCCF ZINC001135081117 1376883941 /nfs/dbraw/zinc/88/39/41/1376883941.db2.gz GYARCDNFCNDVNA-SJORKVTESA-N 2 0 343.531 3.264 20 0 EGADRP c1cc(N2CCCCC2)oc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702414 1376884345 /nfs/dbraw/zinc/88/43/45/1376884345.db2.gz UQNIWDYKSOUCJE-UHFFFAOYSA-N 2 0 331.504 3.482 20 0 EGADRP Clc1ccc([C@H]2CC[N@H+](CC[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC001235882997 1376909608 /nfs/dbraw/zinc/90/96/08/1376909608.db2.gz WEQIYIICHLROBI-UONOGXRCSA-N 2 0 329.271 3.161 20 0 EGADRP COCOc1ccc(F)cc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001236076756 1376932212 /nfs/dbraw/zinc/93/22/12/1376932212.db2.gz VJXNLSWFEUQBKW-UHFFFAOYSA-N 2 0 344.430 3.399 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180438 1376953484 /nfs/dbraw/zinc/95/34/84/1376953484.db2.gz HITDCRITHRMRCJ-SJORKVTESA-N 2 0 325.541 3.314 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001135181035 1376953719 /nfs/dbraw/zinc/95/37/19/1376953719.db2.gz LHSRZMFVSXVQOK-MSOLQXFVSA-N 2 0 345.531 3.242 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc(-n4ccnn4)cc3)cc2)CC1 ZINC001242417849 1377023511 /nfs/dbraw/zinc/02/35/11/1377023511.db2.gz YVOKAZNDRMWOGV-UHFFFAOYSA-N 2 0 347.466 3.105 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135297570 1377026251 /nfs/dbraw/zinc/02/62/51/1377026251.db2.gz DRNWCTVCOCGOIP-HZPDHXFCSA-N 2 0 349.519 3.408 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299121 1377027311 /nfs/dbraw/zinc/02/73/11/1377027311.db2.gz UNVPPGYXGXQYGY-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001135314518 1377033318 /nfs/dbraw/zinc/03/33/18/1377033318.db2.gz CAUUCWOZLSJZSN-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC/C=C/c1ccccc1)NC(=O)CCC[NH+](C)C ZINC001135315148 1377033789 /nfs/dbraw/zinc/03/37/89/1377033789.db2.gz MQZSXYWVJAGOPV-MGHWBQQZSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@@H]1CC(N2CC[C@H](OC(=O)OC(C)(C)C)C2)C[C@@H](CC)[NH2+]1 ZINC001246542647 1377052460 /nfs/dbraw/zinc/05/24/60/1377052460.db2.gz WPFCHHZHVJBBKJ-FMKPAKJESA-N 2 0 326.481 3.322 20 0 EGADRP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C3)c1 ZINC001246727880 1377053626 /nfs/dbraw/zinc/05/36/26/1377053626.db2.gz WYUSVMRGPHSATO-WLRLJWMZSA-N 2 0 343.515 3.149 20 0 EGADRP CC(C)(C)c1ccc(C[NH+]2CCN(C3C[C@@H]4C=C[C@H](C3)[NH2+]4)CC2)cc1 ZINC001246820737 1377055121 /nfs/dbraw/zinc/05/51/21/1377055121.db2.gz WZBGCQPOSOXHHW-WCRBZPEASA-N 2 0 339.527 3.161 20 0 EGADRP C[N@@H+]1CCC[C@H](N(CC[NH3+])Cc2ccc(Cl)cc2Cl)CC1 ZINC001246820848 1377055279 /nfs/dbraw/zinc/05/52/79/1377055279.db2.gz KLEDMCWZOFJAOZ-HNNXBMFYSA-N 2 0 330.303 3.238 20 0 EGADRP C[C@H]1CC[C@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C[NH2+]1 ZINC001246820521 1377055339 /nfs/dbraw/zinc/05/53/39/1377055339.db2.gz WJSMVUCFBRXOMX-PXNSSMCTSA-N 2 0 329.532 3.242 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)CC[NH+](C)C ZINC001135371646 1377059517 /nfs/dbraw/zinc/05/95/17/1377059517.db2.gz HDTFATNMSRIYAR-DLBZAZTESA-N 2 0 347.547 3.309 20 0 EGADRP CC[NH+](CC)CCCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252394826 1377088915 /nfs/dbraw/zinc/08/89/15/1377088915.db2.gz RJKAGPMEPMKWJI-IBGZPJMESA-N 2 0 344.499 3.291 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001135437064 1377096830 /nfs/dbraw/zinc/09/68/30/1377096830.db2.gz LWZVZMUSWXODPW-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001135437011 1377096975 /nfs/dbraw/zinc/09/69/75/1377096975.db2.gz JTGWRZIZRIZMPD-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001135440310 1377098705 /nfs/dbraw/zinc/09/87/05/1377098705.db2.gz KXTFZHCRHYDZTM-RTBURBONSA-N 2 0 339.568 3.421 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254987287 1377109339 /nfs/dbraw/zinc/10/93/39/1377109339.db2.gz JSCKFUORCJSORI-BBWFWOEESA-N 2 0 339.524 3.048 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476390 1377110689 /nfs/dbraw/zinc/11/06/89/1377110689.db2.gz KFUWIGJPEYNNAM-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1cc2ccccc2o1)C(C)C ZINC001135478035 1377111462 /nfs/dbraw/zinc/11/14/62/1377111462.db2.gz UERXBHOBNFJRNB-LJQANCHMSA-N 2 0 345.487 3.005 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481105 1377112861 /nfs/dbraw/zinc/11/28/61/1377112861.db2.gz QDAKCNUOXNIYDV-JKSUJKDBSA-N 2 0 327.557 3.273 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001135607752 1377161032 /nfs/dbraw/zinc/16/10/32/1377161032.db2.gz BZRWFIKPTYYGCD-QZTJIDSGSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613261 1377161754 /nfs/dbraw/zinc/16/17/54/1377161754.db2.gz DVCYUXPZKNLVQB-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135706036 1377190746 /nfs/dbraw/zinc/19/07/46/1377190746.db2.gz NWBOFBFKOMLBSN-OALUTQOASA-N 2 0 347.547 3.327 20 0 EGADRP CC(C)(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC001135718482 1377193382 /nfs/dbraw/zinc/19/33/82/1377193382.db2.gz SWNVGOWAXAXETD-LJQANCHMSA-N 2 0 343.515 3.204 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135746658 1377200368 /nfs/dbraw/zinc/20/03/68/1377200368.db2.gz JBZPMNHRXHTULP-USPWCZQSSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1=CCCCC1 ZINC001135767953 1377206348 /nfs/dbraw/zinc/20/63/48/1377206348.db2.gz KURZACXWOAWQQI-MSOLQXFVSA-N 2 0 335.536 3.092 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135860703 1377237996 /nfs/dbraw/zinc/23/79/96/1377237996.db2.gz GMGCYXXBUNOCHS-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135860708 1377238022 /nfs/dbraw/zinc/23/80/22/1377238022.db2.gz GOERGKNEHVDNFO-IRXDYDNUSA-N 2 0 339.568 3.418 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135965389 1377278268 /nfs/dbraw/zinc/27/82/68/1377278268.db2.gz BSJNITOMECFXHZ-MHEJJFAZSA-N 2 0 325.541 3.338 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)C2)CCCCC1 ZINC001266333429 1377279697 /nfs/dbraw/zinc/27/96/97/1377279697.db2.gz MUMHVGWVMOILRX-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cc1C ZINC001135973735 1377282389 /nfs/dbraw/zinc/28/23/89/1377282389.db2.gz CSLRLGZIXFICJH-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CCCC(C)(C)C ZINC001135973842 1377282613 /nfs/dbraw/zinc/28/26/13/1377282613.db2.gz DPAGNJNSIYBKKC-SJORKVTESA-N 2 0 327.557 3.418 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135979020 1377285164 /nfs/dbraw/zinc/28/51/64/1377285164.db2.gz AXBWLYBYPYEINQ-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135980661 1377285826 /nfs/dbraw/zinc/28/58/26/1377285826.db2.gz REXJHLHDDIZXLG-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC)cc1 ZINC001135980998 1377286255 /nfs/dbraw/zinc/28/62/55/1377286255.db2.gz VYUXXEIFJDJTTD-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135991496 1377289557 /nfs/dbraw/zinc/28/95/57/1377289557.db2.gz FBMRNCGOXJPGMT-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135991498 1377289642 /nfs/dbraw/zinc/28/96/42/1377289642.db2.gz FBMRNCGOXJPGMT-RBUKOAKNSA-N 2 0 347.547 3.408 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001266632319 1377352808 /nfs/dbraw/zinc/35/28/08/1377352808.db2.gz AGTDKVMOHJFTFM-MVJPYGJCSA-N 2 0 345.531 3.448 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001266653466 1377359841 /nfs/dbraw/zinc/35/98/41/1377359841.db2.gz HIMNFGBLVCQSAL-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC001136640011 1377411946 /nfs/dbraw/zinc/41/19/46/1377411946.db2.gz IHJNSRUDQYJFGT-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001267393365 1377444202 /nfs/dbraw/zinc/44/42/02/1377444202.db2.gz DHOXNUHZBYSYKS-QUCCMNQESA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001267789541 1377469144 /nfs/dbraw/zinc/46/91/44/1377469144.db2.gz IWYLLTGDHNUJTE-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001267937536 1377477989 /nfs/dbraw/zinc/47/79/89/1377477989.db2.gz XWHAAUVNAYLJFB-UHFFFAOYSA-N 2 0 345.531 3.455 20 0 EGADRP Cc1cccc2ncc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)n21 ZINC001137196677 1377495163 /nfs/dbraw/zinc/49/51/63/1377495163.db2.gz VOFPLOQXUNFOEW-UHFFFAOYSA-N 2 0 326.488 3.197 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CC(C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001268741443 1377524168 /nfs/dbraw/zinc/52/41/68/1377524168.db2.gz ZTJIRHUESGJSJU-ADKAHSJRSA-N 2 0 337.552 3.124 20 0 EGADRP COc1cccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)n1 ZINC001137534404 1377562119 /nfs/dbraw/zinc/56/21/19/1377562119.db2.gz WUYFRWVCTUYSPP-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2cccc4nccnc24)C3)c1 ZINC001138303424 1377699175 /nfs/dbraw/zinc/69/91/75/1377699175.db2.gz XEYNBODIJIXVMA-CALCHBBNSA-N 2 0 348.450 3.177 20 0 EGADRP Oc1cc(O)cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001138328605 1377702898 /nfs/dbraw/zinc/70/28/98/1377702898.db2.gz PPYRWBCEACAJFZ-UHFFFAOYSA-N 2 0 342.439 3.179 20 0 EGADRP C[NH+](C)CCN1CC[NH+](Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC001138681727 1377767131 /nfs/dbraw/zinc/76/71/31/1377767131.db2.gz IKOVADQIGIMYGQ-UHFFFAOYSA-N 2 0 341.474 3.172 20 0 EGADRP COc1cc(C)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1C ZINC001138724806 1377774017 /nfs/dbraw/zinc/77/40/17/1377774017.db2.gz KFUXYZDEYCNHKV-UHFFFAOYSA-N 2 0 349.563 3.326 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)cc1 ZINC001138768696 1377782227 /nfs/dbraw/zinc/78/22/27/1377782227.db2.gz BQOZDZATEZFGRC-MRXNPFEDSA-N 2 0 348.384 3.351 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138774054 1377782250 /nfs/dbraw/zinc/78/22/50/1377782250.db2.gz WTBIXXZECOOUER-UHFFFAOYSA-N 2 0 347.547 3.323 20 0 EGADRP Nc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001139229565 1377856444 /nfs/dbraw/zinc/85/64/44/1377856444.db2.gz DCJOTCBOMSAZBY-IRXDYDNUSA-N 2 0 342.512 3.069 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(=O)[nH]c1)CC2 ZINC001139465690 1377887849 /nfs/dbraw/zinc/88/78/49/1377887849.db2.gz QYHBOWKVLJWIAX-GOSISDBHSA-N 2 0 341.455 3.257 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3cnccc3OC)CC2)CC1 ZINC001139609402 1377917333 /nfs/dbraw/zinc/91/73/33/1377917333.db2.gz AQPTUCJKYIMBFO-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc2c3ccccc3oc21 ZINC001139858275 1377964406 /nfs/dbraw/zinc/96/44/06/1377964406.db2.gz CABYBKVESGLULI-UHFFFAOYSA-N 2 0 337.467 3.265 20 0 EGADRP Cc1nccn1-c1ccccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001140027514 1377992433 /nfs/dbraw/zinc/99/24/33/1377992433.db2.gz OIGGBPCUCAZDIM-UHFFFAOYSA-N 2 0 347.466 3.206 20 0 EGADRP CC(C)=CCN1CCC2(CC[NH+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716706 1378079512 /nfs/dbraw/zinc/07/95/12/1378079512.db2.gz IYGNNEFHRDRPDN-UHFFFAOYSA-N 2 0 347.547 3.143 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140644042 1378104120 /nfs/dbraw/zinc/10/41/20/1378104120.db2.gz WBMQHZPTCHVASQ-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275768109 1378156424 /nfs/dbraw/zinc/15/64/24/1378156424.db2.gz OYYJMVSEFCKHBH-VXKWHMMOSA-N 2 0 337.511 3.358 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)CCCC1CCC1 ZINC001275827812 1378158782 /nfs/dbraw/zinc/15/87/82/1378158782.db2.gz MZMFHHHEJLLMEF-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cncc(F)c1)CC2 ZINC001276336265 1378172501 /nfs/dbraw/zinc/17/25/01/1378172501.db2.gz HZSCGOWQSBWNGW-UHFFFAOYSA-N 2 0 346.475 3.084 20 0 EGADRP Cn1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c2c1ccnc2Cl ZINC001277366132 1378219608 /nfs/dbraw/zinc/21/96/08/1378219608.db2.gz WCBVQFGNULFXJG-UHFFFAOYSA-N 2 0 332.879 3.144 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC2CCOCC2)cc1 ZINC001141418465 1378321144 /nfs/dbraw/zinc/32/11/44/1378321144.db2.gz TWVSCLQWJJJJON-UHFFFAOYSA-N 2 0 334.504 3.408 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccc2[nH]cnc21 ZINC001142690636 1378478411 /nfs/dbraw/zinc/47/84/11/1378478411.db2.gz YRNCDLKSGFMKNL-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccnc2[nH]ccc21 ZINC001142882155 1378503929 /nfs/dbraw/zinc/50/39/29/1378503929.db2.gz GCYUFCZMGJEVIA-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143809771 1378648984 /nfs/dbraw/zinc/64/89/84/1378648984.db2.gz BPCAGWXPTGGOID-UHFFFAOYSA-N 2 0 349.828 3.038 20 0 EGADRP CCOc1c(Cl)ccc(CN2CC3(C2)CC[NH+](C)CC3)c1F ZINC001143833088 1378651920 /nfs/dbraw/zinc/65/19/20/1378651920.db2.gz TVRZKSIKKQQJFB-UHFFFAOYSA-N 2 0 326.843 3.405 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cc2)cn1 ZINC001327604846 1388566283 /nfs/dbraw/zinc/56/62/83/1388566283.db2.gz RXZBDVWFWQZRRF-IBGZPJMESA-N 2 0 338.499 3.299 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146534450 1378861401 /nfs/dbraw/zinc/86/14/01/1378861401.db2.gz JKQVQPURIHSXRV-QZTJIDSGSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146536633 1378862324 /nfs/dbraw/zinc/86/23/24/1378862324.db2.gz SMILHCIWLHNPEU-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001146537679 1378863498 /nfs/dbraw/zinc/86/34/98/1378863498.db2.gz ZVLKWNFAVBTNJR-DLBZAZTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CCCC1 ZINC001146583695 1378870581 /nfs/dbraw/zinc/87/05/81/1378870581.db2.gz NXITVWHNYORYGJ-SJORKVTESA-N 2 0 345.531 3.425 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001146593821 1378872917 /nfs/dbraw/zinc/87/29/17/1378872917.db2.gz QLIVWWIJMJJBDY-MSOLQXFVSA-N 2 0 333.520 3.017 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001146590869 1378873578 /nfs/dbraw/zinc/87/35/78/1378873578.db2.gz CNILUNFEIGXFRW-OBIQQPLYSA-N 2 0 345.531 3.303 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CC2)o1 ZINC001146699003 1378899271 /nfs/dbraw/zinc/89/92/71/1378899271.db2.gz BJGRUYOZGSLVGV-CABCVRRESA-N 2 0 335.492 3.018 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+]1CCCC1)[NH2+]CC1CCCC1 ZINC001146699810 1378899840 /nfs/dbraw/zinc/89/98/40/1378899840.db2.gz CZWVCUIGDAPLBM-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC1CCC([NH+]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)CC1 ZINC001146814518 1378926461 /nfs/dbraw/zinc/92/64/61/1378926461.db2.gz VDIYGDYDSJYCFC-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001147300799 1379003092 /nfs/dbraw/zinc/00/30/92/1379003092.db2.gz DEFBCKGTRLZHPS-QZTJIDSGSA-N 2 0 349.563 3.031 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001147358664 1379008200 /nfs/dbraw/zinc/00/82/00/1379008200.db2.gz HUSUXXGWSLFTBA-WOJBJXKFSA-N 2 0 345.531 3.498 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC001147466408 1379025874 /nfs/dbraw/zinc/02/58/74/1379025874.db2.gz KYTWKEGNLSYEIE-FXAWDEMLSA-N 2 0 339.483 3.146 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658166 1379056586 /nfs/dbraw/zinc/05/65/86/1379056586.db2.gz IRJQGRGUBJGGGL-LIXSYLKWSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017112 1379105700 /nfs/dbraw/zinc/10/57/00/1379105700.db2.gz GNOFZKJWEYLSAX-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017111 1379105839 /nfs/dbraw/zinc/10/58/39/1379105839.db2.gz GNOFZKJWEYLSAX-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001148125794 1379122183 /nfs/dbraw/zinc/12/21/83/1379122183.db2.gz QXRDEPVYZSMORG-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](CC)c1ccccc1)C2 ZINC001148651754 1379234154 /nfs/dbraw/zinc/23/41/54/1379234154.db2.gz PFOVXHHDBSWCQC-IBGZPJMESA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001327904309 1388620737 /nfs/dbraw/zinc/62/07/37/1388620737.db2.gz RCKKKOGNXQKEDP-FXAWDEMLSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001152393360 1379926209 /nfs/dbraw/zinc/92/62/09/1379926209.db2.gz JZSYGBFFQDJPSH-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313493 1380053628 /nfs/dbraw/zinc/05/36/28/1380053628.db2.gz SZNZOPMUXYRUFX-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880086 1380148798 /nfs/dbraw/zinc/14/87/98/1380148798.db2.gz XBIQCBBOOFWWQW-AEFFLSMTSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580045 1380309035 /nfs/dbraw/zinc/30/90/35/1380309035.db2.gz MIPNBDVOBVALLJ-MRXNPFEDSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccccc2)C1 ZINC001154785056 1380350793 /nfs/dbraw/zinc/35/07/93/1380350793.db2.gz XREUVNOKDBIUSD-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844539 1380364014 /nfs/dbraw/zinc/36/40/14/1380364014.db2.gz MUXBXBCRUGGSJA-SCTDSRPQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888060 1380373246 /nfs/dbraw/zinc/37/32/46/1380373246.db2.gz JXHCQPZONYKNBF-OAHLLOKOSA-N 2 0 337.508 3.218 20 0 EGADRP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999867 1380388015 /nfs/dbraw/zinc/38/80/15/1380388015.db2.gz QVRRMSUAZHHHTJ-QGZVFWFLSA-N 2 0 333.520 3.088 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CC(C)(C)C1)[NH+](CC)CC ZINC001155180512 1380420357 /nfs/dbraw/zinc/42/03/57/1380420357.db2.gz CGMAFVYZUIWDGD-SJLPKXTDSA-N 2 0 339.568 3.370 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226963 1380426613 /nfs/dbraw/zinc/42/66/13/1380426613.db2.gz SKQZFPXEIRHHSR-QZTJIDSGSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](Cc1ccsc1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263144 1380430137 /nfs/dbraw/zinc/43/01/37/1380430137.db2.gz LQJYMFKWQOFGFE-OAHLLOKOSA-N 2 0 339.549 3.053 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611861 1380473477 /nfs/dbraw/zinc/47/34/77/1380473477.db2.gz IYJZQQXJJIODBQ-MOPGFXCFSA-N 2 0 345.531 3.278 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC=C(C)C ZINC001155877701 1380502087 /nfs/dbraw/zinc/50/20/87/1380502087.db2.gz GMWJYKFXGFNUJI-GOSISDBHSA-N 2 0 325.541 3.291 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465938 1380579738 /nfs/dbraw/zinc/57/97/38/1380579738.db2.gz IEONIFZUPCBZDS-GOSISDBHSA-N 2 0 347.547 3.308 20 0 EGADRP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890551 1380719443 /nfs/dbraw/zinc/71/94/43/1380719443.db2.gz OQGUNFWKHIIKAA-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927051 1380730463 /nfs/dbraw/zinc/73/04/63/1380730463.db2.gz DCOGSBXNOXGTBO-GOSISDBHSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091809 1380774064 /nfs/dbraw/zinc/77/40/64/1380774064.db2.gz CNFHBZKUAXJARD-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP Cc1ccc(-c2nnc(NC(=[NH2+])NCCCC[NH3+])c3ccccc32)cc1 ZINC001157100087 1380775441 /nfs/dbraw/zinc/77/54/41/1380775441.db2.gz ZUWKTLSMNGGQMI-UHFFFAOYSA-N 2 0 348.454 3.280 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118922 1380779790 /nfs/dbraw/zinc/77/97/90/1380779790.db2.gz OYNGLHMCDKEDAF-QUCCMNQESA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)CCC2CC2)o1 ZINC001157241316 1380821800 /nfs/dbraw/zinc/82/18/00/1380821800.db2.gz GXONNAMICHVDGI-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)n1ncc2c1[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC001328215893 1388690573 /nfs/dbraw/zinc/69/05/73/1388690573.db2.gz RDQPXRBSMDJLLE-LJQANCHMSA-N 2 0 339.487 3.495 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157950952 1381079765 /nfs/dbraw/zinc/07/97/65/1381079765.db2.gz LQSATPWMNXSTPN-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1F ZINC001158079609 1381121919 /nfs/dbraw/zinc/12/19/19/1381121919.db2.gz JIJXSOBBRNNCGS-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP C[N@H+](C/C=C\Cl)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227471 1381166636 /nfs/dbraw/zinc/16/66/36/1381166636.db2.gz JFKSTXMPOHGDTP-RLXIPRIJSA-N 2 0 346.862 3.013 20 0 EGADRP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228111 1381167539 /nfs/dbraw/zinc/16/75/39/1381167539.db2.gz TUDPHMWINJXTRJ-SJLPKXTDSA-N 2 0 346.450 3.009 20 0 EGADRP [NH3+]Cc1cccc2c1cnn2-c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001158311372 1381194784 /nfs/dbraw/zinc/19/47/84/1381194784.db2.gz OYSHIBIHDJIVBR-UHFFFAOYSA-N 2 0 341.846 3.128 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158433866 1381243970 /nfs/dbraw/zinc/24/39/70/1381243970.db2.gz AOVIMNCCQDYMED-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434815 1381245941 /nfs/dbraw/zinc/24/59/41/1381245941.db2.gz NDYMMKDWZRTKRA-PXDRNWIDSA-N 2 0 349.563 3.388 20 0 EGADRP Cc1c[nH+]c(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1N ZINC001158449126 1381249697 /nfs/dbraw/zinc/24/96/97/1381249697.db2.gz SBPXGORQBJAZIN-UHFFFAOYSA-N 2 0 328.435 3.212 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480836 1381261096 /nfs/dbraw/zinc/26/10/96/1381261096.db2.gz RISQCZXRFGHDCQ-ZWKOTPCHSA-N 2 0 339.568 3.323 20 0 EGADRP CCN(C)c1cc(C)[nH+]c(N(C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001158485698 1381264262 /nfs/dbraw/zinc/26/42/62/1381264262.db2.gz PUOFYCIHIQURKU-UHFFFAOYSA-N 2 0 331.508 3.084 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158560105 1381299384 /nfs/dbraw/zinc/29/93/84/1381299384.db2.gz NYJBNWHAIVSDNM-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1C ZINC001158616280 1381322502 /nfs/dbraw/zinc/32/25/02/1381322502.db2.gz LHIZKCZJDTWDAZ-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001328282161 1388713454 /nfs/dbraw/zinc/71/34/54/1388713454.db2.gz YBYKWANFJZFLCT-IEBWSBKVSA-N 2 0 345.531 3.134 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751594 1381382771 /nfs/dbraw/zinc/38/27/71/1381382771.db2.gz ZLEGMTANUFHENZ-RLWBPELLSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158780613 1381396379 /nfs/dbraw/zinc/39/63/79/1381396379.db2.gz AQYLINRBZOXRSM-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852641 1381433419 /nfs/dbraw/zinc/43/34/19/1381433419.db2.gz JCRXAHXAMFFDPN-HXUWFJFHSA-N 2 0 347.547 3.286 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158853530 1381435075 /nfs/dbraw/zinc/43/50/75/1381435075.db2.gz ZQRHWCDPNDMIOJ-ZMBJWTFHSA-N 2 0 335.536 3.142 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158923117 1381465958 /nfs/dbraw/zinc/46/59/58/1381465958.db2.gz OPMXZWIGGYWIAA-RBUKOAKNSA-N 2 0 339.568 3.322 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc4c(n2)CC[NH2+]C4)C3)cc1 ZINC001159287643 1381752938 /nfs/dbraw/zinc/75/29/38/1381752938.db2.gz AFQYYUAESIMMLS-OWZKRDHZSA-N 2 0 348.494 3.335 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)c1 ZINC001159334230 1381767925 /nfs/dbraw/zinc/76/79/25/1381767925.db2.gz QQMPFGAXTWKJQC-LJQANCHMSA-N 2 0 338.455 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001159334183 1381767973 /nfs/dbraw/zinc/76/79/73/1381767973.db2.gz ACFATXSGVDEMEN-LHZAFZKQSA-N 2 0 343.515 3.060 20 0 EGADRP COc1cc(Nc2ccc(COC3CC[NH2+]CC3)cc2)[nH+]cc1C ZINC001159416505 1381790832 /nfs/dbraw/zinc/79/08/32/1381790832.db2.gz ZZSTYJQMVGOCLU-UHFFFAOYSA-N 2 0 327.428 3.411 20 0 EGADRP c1ccc(C[N@H+]2CC=C(Nc3ccccc3N3CC[NH2+]CC3)CC2)cc1 ZINC001159813197 1381908252 /nfs/dbraw/zinc/90/82/52/1381908252.db2.gz XBOGXYXWFOEPRL-UHFFFAOYSA-N 2 0 348.494 3.298 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001159855003 1381920305 /nfs/dbraw/zinc/92/03/05/1381920305.db2.gz ZLHONGARTXGAMD-QGZVFWFLSA-N 2 0 345.531 3.451 20 0 EGADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001159872576 1381925426 /nfs/dbraw/zinc/92/54/26/1381925426.db2.gz QDPACACXMXYWJJ-UHFFFAOYSA-N 2 0 346.519 3.411 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001159909786 1381934127 /nfs/dbraw/zinc/93/41/27/1381934127.db2.gz NFYOOBPPZHNZGI-LPHOPBHVSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909165 1381934589 /nfs/dbraw/zinc/93/45/89/1381934589.db2.gz KNJYURHVFNROBU-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909256 1381934741 /nfs/dbraw/zinc/93/47/41/1381934741.db2.gz MGIROQCBHLVKGI-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2c(F)cccc2N2CC[NH2+]CC2)c1F ZINC001160063088 1381986933 /nfs/dbraw/zinc/98/69/33/1381986933.db2.gz PQPZXDWOCRGOJC-UHFFFAOYSA-N 2 0 346.425 3.180 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120856 1382002797 /nfs/dbraw/zinc/00/27/97/1382002797.db2.gz SNOMMXCMNAXUOK-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160130971 1382007389 /nfs/dbraw/zinc/00/73/89/1382007389.db2.gz AUTQVEATYGXKEV-UHFFFAOYSA-N 2 0 347.547 3.356 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360081 1382082382 /nfs/dbraw/zinc/08/23/82/1382082382.db2.gz IJSBUDVNGHUGKG-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359812 1382082672 /nfs/dbraw/zinc/08/26/72/1382082672.db2.gz BJWXKKCOIDYSFF-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360257 1382082726 /nfs/dbraw/zinc/08/27/26/1382082726.db2.gz MJXLCEDNOCOAEB-YLJYHZDGSA-N 2 0 349.563 3.147 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC001160367647 1382085064 /nfs/dbraw/zinc/08/50/64/1382085064.db2.gz QWIGFZNXXINUHM-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1)[NH+](C)C ZINC001160406582 1382096548 /nfs/dbraw/zinc/09/65/48/1382096548.db2.gz QPHGJUTZOXIOQB-IBGZPJMESA-N 2 0 349.563 3.147 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001160477969 1382117682 /nfs/dbraw/zinc/11/76/82/1382117682.db2.gz UZMMVXAUJGAWKZ-ICSRJNTNSA-N 2 0 345.531 3.278 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)c1cc2c[nH]ccc-2n1 ZINC001160990245 1382263807 /nfs/dbraw/zinc/26/38/07/1382263807.db2.gz FUVZETCTHVJVOF-UHFFFAOYSA-N 2 0 328.460 3.243 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161028038 1382276911 /nfs/dbraw/zinc/27/69/11/1382276911.db2.gz DWXRESBJWDMVJL-SFHVURJKSA-N 2 0 337.552 3.149 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2=CC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001161030369 1382278086 /nfs/dbraw/zinc/27/80/86/1382278086.db2.gz ZZNOZMGDMQBCDO-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089319 1382294024 /nfs/dbraw/zinc/29/40/24/1382294024.db2.gz JYOAZSWJVPFTDA-SFHVURJKSA-N 2 0 343.515 3.146 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)C1 ZINC001161213578 1382343518 /nfs/dbraw/zinc/34/35/18/1382343518.db2.gz KZHVMHHLEUPMMO-SFHVURJKSA-N 2 0 347.547 3.047 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219877 1382347049 /nfs/dbraw/zinc/34/70/49/1382347049.db2.gz OZVQQAGECFIZFG-FPLPWBNLSA-N 2 0 349.563 3.459 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219687 1382347216 /nfs/dbraw/zinc/34/72/16/1382347216.db2.gz KXGRGQWBXNLMCZ-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC[NH+]2CCCC2)c2ccccc2)C1 ZINC001293770720 1382355214 /nfs/dbraw/zinc/35/52/14/1382355214.db2.gz LGRCVLMAGQUDHJ-LJQANCHMSA-N 2 0 343.515 3.237 20 0 EGADRP CC(C)(C)CN(C(=O)c1cccc([C@H]2CCC[NH2+]2)c1)C1CC[NH2+]CC1 ZINC001161260041 1382356155 /nfs/dbraw/zinc/35/61/55/1382356155.db2.gz GZFFAGHEDBKGIB-LJQANCHMSA-N 2 0 343.515 3.351 20 0 EGADRP COCc1ccc(CNc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC001161334701 1382374109 /nfs/dbraw/zinc/37/41/09/1382374109.db2.gz SRFVWBNUMNZVLP-UHFFFAOYSA-N 2 0 341.455 3.313 20 0 EGADRP CC(C)C[C@@](C)([NH3+])C(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001161438697 1382411505 /nfs/dbraw/zinc/41/15/05/1382411505.db2.gz MIINDOMGPJMAAF-HXUWFJFHSA-N 2 0 349.494 3.012 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+][C@H]2CCc3ccccc32)ccc2c[nH+]cn21 ZINC001161563744 1382440239 /nfs/dbraw/zinc/44/02/39/1382440239.db2.gz GFOOPJAGECUJAX-FQEVSTJZSA-N 2 0 348.450 3.040 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161924435 1382554537 /nfs/dbraw/zinc/55/45/37/1382554537.db2.gz CHFSCPHGACUQIP-ROUUACIJSA-N 2 0 349.563 3.434 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161994016 1382592277 /nfs/dbraw/zinc/59/22/77/1382592277.db2.gz PBOZFADURLTLRZ-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)cc1C ZINC001328661741 1388800922 /nfs/dbraw/zinc/80/09/22/1388800922.db2.gz HHYLSIBDHJZHTN-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162404308 1382748953 /nfs/dbraw/zinc/74/89/53/1382748953.db2.gz KJBOSLMRYWLUBD-OLZOCXBDSA-N 2 0 326.282 3.193 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001162456888 1382762020 /nfs/dbraw/zinc/76/20/20/1382762020.db2.gz LGQHPDDVOMUCRH-WMZOPIPTSA-N 2 0 327.516 3.302 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC[C@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580601 1382798028 /nfs/dbraw/zinc/79/80/28/1382798028.db2.gz VUJPXEDASWAQEK-APWZRJJASA-N 2 0 334.483 3.350 20 0 EGADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N[C@H]3C=C[C@H]4C[NH2+]C[C@H]43)c12 ZINC001162796612 1382875027 /nfs/dbraw/zinc/87/50/27/1382875027.db2.gz FXIIKAIOFVLZID-UHOSZYNNSA-N 2 0 330.435 3.271 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ncc(F)c(C3CC[NH2+]CC3)n2)c1 ZINC001162901701 1382910540 /nfs/dbraw/zinc/91/05/40/1382910540.db2.gz BZPCTGNNEOZKRC-LBPRGKRZSA-N 2 0 339.418 3.046 20 0 EGADRP Cc1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c(C[NH+](C)C)c1 ZINC001163064798 1382959586 /nfs/dbraw/zinc/95/95/86/1382959586.db2.gz HWXYPDATQUWOHY-QGZVFWFLSA-N 2 0 326.488 3.080 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)nc2c(OC)cccc12 ZINC001163123100 1382970505 /nfs/dbraw/zinc/97/05/05/1382970505.db2.gz YNVXCGDSFOXVEQ-UHFFFAOYSA-N 2 0 349.866 3.175 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(F)cc2ccc(Cl)nc21 ZINC001163127043 1382971594 /nfs/dbraw/zinc/97/15/94/1382971594.db2.gz XTLCJEHBAVICEP-UHFFFAOYSA-N 2 0 337.830 3.305 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163243197 1383003176 /nfs/dbraw/zinc/00/31/76/1383003176.db2.gz WOLMDOOCGFRBCN-SREVYHEPSA-N 2 0 337.552 3.341 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001163274965 1383010588 /nfs/dbraw/zinc/01/05/88/1383010588.db2.gz LXTBIUQGFGDPQJ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1ccccc1C[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163275240 1383010794 /nfs/dbraw/zinc/01/07/94/1383010794.db2.gz VWBXRZKYMNDODP-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001163290802 1383014110 /nfs/dbraw/zinc/01/41/10/1383014110.db2.gz QGCPUKDBEWEQLP-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1nc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc(N(C)C)[nH+]1 ZINC001163315918 1383019690 /nfs/dbraw/zinc/01/96/90/1383019690.db2.gz UHQHSGIQQPIXCL-MRXNPFEDSA-N 2 0 329.492 3.084 20 0 EGADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NCC2([NH3+])CCC2)n1 ZINC001163328630 1383023273 /nfs/dbraw/zinc/02/32/73/1383023273.db2.gz XXXFROLWGHZAPG-UHFFFAOYSA-N 2 0 347.532 3.443 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(CCNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001163820512 1383125448 /nfs/dbraw/zinc/12/54/48/1383125448.db2.gz FWJFSNOLLGWKNA-MJGOQNOKSA-N 2 0 343.515 3.026 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC001163834209 1383127368 /nfs/dbraw/zinc/12/73/68/1383127368.db2.gz WATJPSQCIHPMTL-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP [NH2+]=C(Nc1ccc(OC2C[NH2+]C2)cn1)C12CC3CC(CC(C3)C1)C2 ZINC001163848650 1383129209 /nfs/dbraw/zinc/12/92/09/1383129209.db2.gz UMUWWGJVCNSKCB-UHFFFAOYSA-N 2 0 326.444 3.038 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2ccccc2F)C1 ZINC001164456580 1383188679 /nfs/dbraw/zinc/18/86/79/1383188679.db2.gz VOEKVCWFKFDJDR-IAGOWNOFSA-N 2 0 349.494 3.105 20 0 EGADRP CC1(C)CC(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001164501141 1383193891 /nfs/dbraw/zinc/19/38/91/1383193891.db2.gz TVWFUMHRXRFAFG-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001164582791 1383202264 /nfs/dbraw/zinc/20/22/64/1383202264.db2.gz PJIKFKQYRRTYFZ-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNc2ccc(COC3CC[NH2+]CC3)cc2)C1 ZINC001165291448 1383267507 /nfs/dbraw/zinc/26/75/07/1383267507.db2.gz ZRBLZPKPQOCYKG-KRWDZBQOSA-N 2 0 331.504 3.099 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001165292925 1383267541 /nfs/dbraw/zinc/26/75/41/1383267541.db2.gz MXVMBAZIQQDUMD-UHFFFAOYSA-N 2 0 349.544 3.100 20 0 EGADRP c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2cc(N4CCCC4)cc[nH+]2)C3)cc1 ZINC001165418291 1383291790 /nfs/dbraw/zinc/29/17/90/1383291790.db2.gz PFVKQQJYMCOPIC-IRLDBZIGSA-N 2 0 348.494 3.265 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472233 1383299958 /nfs/dbraw/zinc/29/99/58/1383299958.db2.gz IFMIKFZOOQZLNJ-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1)[NH+](C)C ZINC001165718576 1383331405 /nfs/dbraw/zinc/33/14/05/1383331405.db2.gz LJKMPPOUKWQYGL-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165763761 1383341849 /nfs/dbraw/zinc/34/18/49/1383341849.db2.gz FQMWAUSKYIPPSX-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC001165776312 1383344355 /nfs/dbraw/zinc/34/43/55/1383344355.db2.gz HOHUUZWLGKBPEH-PKOBYXMFSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001166381046 1383417487 /nfs/dbraw/zinc/41/74/87/1383417487.db2.gz XJFOIMOLIWMGSC-UHFFFAOYSA-N 2 0 349.563 3.341 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C)[NH+](CC)CC ZINC001166439316 1383422525 /nfs/dbraw/zinc/42/25/25/1383422525.db2.gz FDWJIUUSNJRJQY-PKOBYXMFSA-N 2 0 333.520 3.272 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CCCC1CCCC1)[NH+](CC)CC ZINC001166439179 1383422588 /nfs/dbraw/zinc/42/25/88/1383422588.db2.gz CSTNADIXSRIEKE-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1C)[NH+](CC)CC ZINC001166439315 1383422590 /nfs/dbraw/zinc/42/25/90/1383422590.db2.gz FDWJIUUSNJRJQY-MJGOQNOKSA-N 2 0 333.520 3.272 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC)cc1 ZINC001166440534 1383422776 /nfs/dbraw/zinc/42/27/76/1383422776.db2.gz ZYNXVCLOZJJLJX-HXUWFJFHSA-N 2 0 347.547 3.355 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CCCc1ccccc1C)[NH+](CC)CC ZINC001166448419 1383423794 /nfs/dbraw/zinc/42/37/94/1383423794.db2.gz SRZGNXFXQLSKIK-HXUWFJFHSA-N 2 0 347.547 3.144 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166862909 1383489337 /nfs/dbraw/zinc/48/93/37/1383489337.db2.gz BOSQZUDHDJREED-UHFFFAOYSA-N 2 0 349.519 3.267 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167045531 1383527082 /nfs/dbraw/zinc/52/70/82/1383527082.db2.gz UKPLUKITTXHSOU-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167180343 1383560645 /nfs/dbraw/zinc/56/06/45/1383560645.db2.gz XYWBCLPHWOFHOX-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1)[NH+](C)C ZINC001167261090 1383577832 /nfs/dbraw/zinc/57/78/32/1383577832.db2.gz VWDRHQYPYFLBFH-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385422 1383619261 /nfs/dbraw/zinc/61/92/61/1383619261.db2.gz CJYVTMYFZQNTJY-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001167480657 1383647341 /nfs/dbraw/zinc/64/73/41/1383647341.db2.gz PCAPYOIYNZENES-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001167608542 1383688298 /nfs/dbraw/zinc/68/82/98/1383688298.db2.gz GBSRFTIJNXTMTO-JLAWEPINSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001167619398 1383690343 /nfs/dbraw/zinc/69/03/43/1383690343.db2.gz BKTUKZKUUDXADP-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001301660863 1383724838 /nfs/dbraw/zinc/72/48/38/1383724838.db2.gz HLGAFBJXZCHZKR-QZTJIDSGSA-N 2 0 349.906 3.077 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC001167823308 1383749355 /nfs/dbraw/zinc/74/93/55/1383749355.db2.gz KHKMXADYVIFNCV-UZLBHIALSA-N 2 0 329.488 3.093 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCN(C(C)C)C2=O)CC1 ZINC001167834612 1383753042 /nfs/dbraw/zinc/75/30/42/1383753042.db2.gz LBJDKBDPLQGGRO-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1cccc(OC)n1)C1CC[NH2+]CC1 ZINC001167834448 1383753198 /nfs/dbraw/zinc/75/31/98/1383753198.db2.gz KDQPKRFTIMLSBD-KRWDZBQOSA-N 2 0 348.535 3.159 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1ncccc1OC)C1CC[NH2+]CC1 ZINC001167834829 1383754015 /nfs/dbraw/zinc/75/40/15/1383754015.db2.gz NBFFSBXOLMEQNY-KRWDZBQOSA-N 2 0 348.535 3.159 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001167836369 1383755399 /nfs/dbraw/zinc/75/53/99/1383755399.db2.gz YPTHWQXAKVDKFM-SXLOBPIMSA-N 2 0 346.515 3.386 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167839632 1383755593 /nfs/dbraw/zinc/75/55/93/1383755593.db2.gz AWLXDNNXLANHQP-ZACQAIPSSA-N 2 0 341.540 3.342 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001167838475 1383755773 /nfs/dbraw/zinc/75/57/73/1383755773.db2.gz VEKVLTYVHHOBJU-GOSISDBHSA-N 3 0 339.568 3.072 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1nc(C)cc(C)n1)C1CC[NH2+]CC1 ZINC001167841327 1383756878 /nfs/dbraw/zinc/75/68/78/1383756878.db2.gz KNJMWEDVNCORIY-GOSISDBHSA-N 2 0 347.551 3.162 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001167879508 1383764616 /nfs/dbraw/zinc/76/46/16/1383764616.db2.gz VYGRSJQHUCCERF-UHFFFAOYSA-N 2 0 342.287 3.399 20 0 EGADRP c1csc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)CC3)C2)c1 ZINC001167927322 1383771710 /nfs/dbraw/zinc/77/17/10/1383771710.db2.gz LTAJDEIYYKANDG-FVQHAEBGSA-N 2 0 332.513 3.213 20 0 EGADRP Cc1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c(C[NH+](C)C)c1 ZINC001167946634 1383776300 /nfs/dbraw/zinc/77/63/00/1383776300.db2.gz WWCJGGJBYSWOMQ-SFHVURJKSA-N 2 0 349.519 3.308 20 0 EGADRP C[N@@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1c1ccccc1 ZINC001167995336 1383791532 /nfs/dbraw/zinc/79/15/32/1383791532.db2.gz BBEQKJNULQXFPF-IUPYZPJSSA-N 2 0 339.527 3.381 20 0 EGADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(N1CCCC[C@H]1C[NH+]1CCCC1)C2 ZINC001167995466 1383792216 /nfs/dbraw/zinc/79/22/16/1383792216.db2.gz GNNDSNULZHIKMS-HWPVKAJDSA-N 2 0 331.548 3.342 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168014127 1383797784 /nfs/dbraw/zinc/79/77/84/1383797784.db2.gz KGBAQYFDHMNUMW-HGKCTWBKSA-N 2 0 325.456 3.318 20 0 EGADRP C[C@H]1CC([NH2+]CCN2CCC(F)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025306 1383799706 /nfs/dbraw/zinc/79/97/06/1383799706.db2.gz JHLGILHKWPSCBN-ROUUACIJSA-N 2 0 347.522 3.452 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C2(CO)CCSCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168030238 1383799917 /nfs/dbraw/zinc/79/99/17/1383799917.db2.gz VDEPQIBGMRNPDA-IZZQQSIFSA-N 2 0 348.556 3.276 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030076 1383800292 /nfs/dbraw/zinc/80/02/92/1383800292.db2.gz MOUIJPCYJNNEPU-UXHICEINSA-N 2 0 349.563 3.460 20 0 EGADRP COCCOCCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168032663 1383800800 /nfs/dbraw/zinc/80/08/00/1383800800.db2.gz IVVGRWXGJLHJQO-ROUUACIJSA-N 2 0 334.504 3.071 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[NH+](CC3CC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168051083 1383804274 /nfs/dbraw/zinc/80/42/74/1383804274.db2.gz FYRMETJTNNXODC-HATOLVCRSA-N 2 0 341.543 3.456 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001168162913 1383829915 /nfs/dbraw/zinc/82/99/15/1383829915.db2.gz WUQYMVGMHPHUJH-LJQANCHMSA-N 2 0 343.515 3.110 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CCc2cc(O)ccc2Br)CC1 ZINC001168315765 1383871396 /nfs/dbraw/zinc/87/13/96/1383871396.db2.gz NZGXUTWTLTUVAR-UHFFFAOYSA-N 2 0 341.293 3.160 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320604 1383872488 /nfs/dbraw/zinc/87/24/88/1383872488.db2.gz FWGLYBRHNGVIDI-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001306846804 1383910516 /nfs/dbraw/zinc/91/05/16/1383910516.db2.gz ZHEGYEZQFSZDEA-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001168455665 1383910772 /nfs/dbraw/zinc/91/07/72/1383910772.db2.gz HUXVYFUMZBVJFX-INIZCTEOSA-N 2 0 330.447 3.487 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168455808 1383911309 /nfs/dbraw/zinc/91/13/09/1383911309.db2.gz YWUZCHGOGVGTKD-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001168486701 1383921216 /nfs/dbraw/zinc/92/12/16/1383921216.db2.gz MZVKTTQRLNIPAW-QRQLOZEOSA-N 2 0 339.458 3.216 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+]CCCC[NH+]3CCCC3)CCO2)cc1 ZINC001168582225 1383941525 /nfs/dbraw/zinc/94/15/25/1383941525.db2.gz CVQDTBSZXIHGQD-AZUAARDMSA-N 2 0 332.488 3.381 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001168606090 1383947167 /nfs/dbraw/zinc/94/71/67/1383947167.db2.gz BSNCLBPYSOJPKC-QRVBRYPASA-N 2 0 337.552 3.031 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CCC1CCCC1)C(C)C ZINC001168653612 1383959782 /nfs/dbraw/zinc/95/97/82/1383959782.db2.gz XIMOAGOQFMAPKE-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)C(C)C ZINC001168666924 1383964877 /nfs/dbraw/zinc/96/48/77/1383964877.db2.gz NCDOUDBSJFNFFJ-ROUUACIJSA-N 2 0 327.557 3.131 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@H](c4ccc(OC)cc4)C3)C[C@@H]2C1 ZINC001168674863 1383967168 /nfs/dbraw/zinc/96/71/68/1383967168.db2.gz ZVILTLRPLGSRBU-HDAAZOAOSA-N 2 0 344.499 3.189 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CN1C(=O)OC(C)(C)C ZINC001168801697 1384010355 /nfs/dbraw/zinc/01/03/55/1384010355.db2.gz BAWAPSGCMZQEER-SJORKVTESA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC001328871417 1388892499 /nfs/dbraw/zinc/89/24/99/1388892499.db2.gz GHVVZJJNKFMGKG-IBGZPJMESA-N 2 0 347.528 3.203 20 0 EGADRP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001169058390 1384101867 /nfs/dbraw/zinc/10/18/67/1384101867.db2.gz HCDVXYLJXCAJCN-NRFANRHFSA-N 2 0 331.548 3.259 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3Cl)C1)C2 ZINC001169109017 1384108425 /nfs/dbraw/zinc/10/84/25/1384108425.db2.gz GCUXLOATDXCSKD-XLAORIBOSA-N 2 0 333.907 3.129 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(F)c3F)CC1)C2 ZINC001169113940 1384108593 /nfs/dbraw/zinc/10/85/93/1384108593.db2.gz VJGGRZRPCCBQNP-BCDXTJNWSA-N 2 0 349.469 3.144 20 0 EGADRP Cc1ccc(CN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(F)c1 ZINC001169110592 1384108767 /nfs/dbraw/zinc/10/87/67/1384108767.db2.gz NKIHJNMSTAZORB-ACDBMABISA-N 2 0 345.506 3.313 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)C2 ZINC001169113886 1384108868 /nfs/dbraw/zinc/10/88/68/1384108868.db2.gz VDUAMNDWYMOFLW-FZKCQIBNSA-N 2 0 339.524 3.141 20 0 EGADRP C[NH+](C)C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125232 1384110703 /nfs/dbraw/zinc/11/07/03/1384110703.db2.gz WTIHCIAAVIWWQB-LJNKJDIJSA-N 2 0 345.575 3.348 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001169134886 1384111820 /nfs/dbraw/zinc/11/18/20/1384111820.db2.gz UKBHUFRWTJYUGW-LJQANCHMSA-N 2 0 345.531 3.192 20 0 EGADRP Cc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001169145723 1384114542 /nfs/dbraw/zinc/11/45/42/1384114542.db2.gz TZRRXFKJPAVTQZ-QINHECLXSA-N 2 0 345.535 3.208 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc4c(c3)nnn4C)CC2)CC1 ZINC001308342807 1384120426 /nfs/dbraw/zinc/12/04/26/1384120426.db2.gz QDVGIQQQSDIGKM-UHFFFAOYSA-N 2 0 341.503 3.101 20 0 EGADRP CC[NH+]1CCC([NH2+]CC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001169230900 1384125280 /nfs/dbraw/zinc/12/52/80/1384125280.db2.gz NXHODXYHZGHNQB-KRWDZBQOSA-N 2 0 339.524 3.240 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169271738 1384130665 /nfs/dbraw/zinc/13/06/65/1384130665.db2.gz GXSUHTYXQWXLMF-NNUJQTDSSA-N 2 0 342.483 3.369 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(OC)s2)CC1)CC1CC1 ZINC001308638897 1384138453 /nfs/dbraw/zinc/13/84/53/1384138453.db2.gz KJMTZERSMIWWHL-UHFFFAOYSA-N 2 0 337.533 3.486 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001169483535 1384153218 /nfs/dbraw/zinc/15/32/18/1384153218.db2.gz DRSVMGNTTAZOGC-QUCCMNQESA-N 2 0 345.531 3.087 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001169664373 1384170328 /nfs/dbraw/zinc/17/03/28/1384170328.db2.gz KTECWPXVJYJUEH-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)[C@@H]2CCCN(C(=O)OCC)CC2)CC1 ZINC001169712904 1384176655 /nfs/dbraw/zinc/17/66/55/1384176655.db2.gz HEFMDGHYXTZYOB-QGZVFWFLSA-N 2 0 339.524 3.194 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797915 1384187102 /nfs/dbraw/zinc/18/71/02/1384187102.db2.gz KWRWYGLNMRWAMZ-ZXKUBQOYSA-N 2 0 343.515 3.059 20 0 EGADRP c1cc(SC2CC[NH2+]CC2)ccc1NCC12CC[NH+](CC1)CC2 ZINC001169799798 1384187529 /nfs/dbraw/zinc/18/75/29/1384187529.db2.gz KOUUUGCDFMOLME-UHFFFAOYSA-N 2 0 331.529 3.429 20 0 EGADRP C([NH2+][C@H]1CCCC2(C1)OCCO2)C1CC[NH+](CC2CCCC2)CC1 ZINC001169926646 1384199363 /nfs/dbraw/zinc/19/93/63/1384199363.db2.gz ZRVDVHXSUPCSNO-IBGZPJMESA-N 2 0 336.520 3.164 20 0 EGADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982112 1384210153 /nfs/dbraw/zinc/21/01/53/1384210153.db2.gz JJBINWINICXQQY-MRXNPFEDSA-N 2 0 333.520 3.494 20 0 EGADRP CC[NH+](CC)Cc1ccc(Br)cc1N(C)C(C)(C)C[NH3+] ZINC001170060203 1384227230 /nfs/dbraw/zinc/22/72/30/1384227230.db2.gz LGRZGFJYNZZVDE-UHFFFAOYSA-N 2 0 342.325 3.464 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001170110598 1384237835 /nfs/dbraw/zinc/23/78/35/1384237835.db2.gz ZGRMNXPXTRRBOD-CVEARBPZSA-N 2 0 327.513 3.001 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001170223429 1384269666 /nfs/dbraw/zinc/26/96/66/1384269666.db2.gz UIJZRIWCRYADJN-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CCO[C@@H](CC)C2)CC1 ZINC001170236215 1384272820 /nfs/dbraw/zinc/27/28/20/1384272820.db2.gz CQDJPODBFQSXOJ-PMACEKPBSA-N 2 0 339.568 3.074 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001170418485 1384313403 /nfs/dbraw/zinc/31/34/03/1384313403.db2.gz UHOOHWKZZZJQKD-MRXNPFEDSA-N 2 0 330.472 3.343 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001170427059 1384316319 /nfs/dbraw/zinc/31/63/19/1384316319.db2.gz VCNGYXTUEQJRBE-QGZVFWFLSA-N 2 0 330.472 3.200 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3CC[C@@H](C(=O)OC)C3)CC2)CC1 ZINC001170566149 1384343962 /nfs/dbraw/zinc/34/39/62/1384343962.db2.gz ZGWLTHWWVJJOEY-RTBURBONSA-N 2 0 336.520 3.162 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861906 1384401001 /nfs/dbraw/zinc/40/10/01/1384401001.db2.gz HZOGNLBRMIYNPR-NLWGTHIKSA-N 2 0 349.563 3.482 20 0 EGADRP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001171024128 1384432108 /nfs/dbraw/zinc/43/21/08/1384432108.db2.gz ANUKLHFPJWHGAO-BZSNNMDCSA-N 2 0 348.918 3.430 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001171069757 1384441141 /nfs/dbraw/zinc/44/11/41/1384441141.db2.gz USHAGJBQNOESEO-QZTJIDSGSA-N 2 0 345.547 3.367 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171120519 1384449587 /nfs/dbraw/zinc/44/95/87/1384449587.db2.gz NRHPFZCZEMMCEW-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP CC[NH+](CC)Cc1ccc(Br)cc1NCC(C)(C)[NH3+] ZINC001171193675 1384465320 /nfs/dbraw/zinc/46/53/20/1384465320.db2.gz DYCGEWXKNMBLGD-UHFFFAOYSA-N 2 0 328.298 3.440 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235675 1384476688 /nfs/dbraw/zinc/47/66/88/1384476688.db2.gz INUXCZIDGYXLAQ-QZTJIDSGSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246928 1384477780 /nfs/dbraw/zinc/47/77/80/1384477780.db2.gz IMIMJEDNOHMDRW-VQIMIIECSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253840 1384479273 /nfs/dbraw/zinc/47/92/73/1384479273.db2.gz MLBIJFOWQMTTOZ-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP COc1ccc2cc(NCc3ccccc3N3CC[NH2+]CC3)ncc2c1 ZINC001171283117 1384484880 /nfs/dbraw/zinc/48/48/80/1384484880.db2.gz OCUSESZZLWSVBT-UHFFFAOYSA-N 2 0 348.450 3.265 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001316630837 1384494061 /nfs/dbraw/zinc/49/40/61/1384494061.db2.gz ZGZJEPJAQVHGBH-RDGPPVDQSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@H]2C1 ZINC001171325852 1384494899 /nfs/dbraw/zinc/49/48/99/1384494899.db2.gz FGMPUWXFNGZQOA-BZUAXINKSA-N 2 0 348.918 3.480 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171360131 1384502266 /nfs/dbraw/zinc/50/22/66/1384502266.db2.gz WMFAQSZYAXKMPA-ROUUACIJSA-N 2 0 327.557 3.418 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CCC[NH+](C)C)c1 ZINC001316704968 1384531483 /nfs/dbraw/zinc/53/14/83/1384531483.db2.gz WNLXXHAZQMTBOU-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001171510213 1384547522 /nfs/dbraw/zinc/54/75/22/1384547522.db2.gz ZVXWZDPKEXHUAG-DOTOQJQBSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171586874 1384573138 /nfs/dbraw/zinc/57/31/38/1384573138.db2.gz USAKZIRJEMJASQ-MRXNPFEDSA-N 2 0 327.557 3.418 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171619328 1384582563 /nfs/dbraw/zinc/58/25/63/1384582563.db2.gz JZUCPWQZMMRTOE-HDJSIYSDSA-N 2 0 339.524 3.283 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(OC3COC3)cc2)CC1(C)C ZINC001171621853 1384582989 /nfs/dbraw/zinc/58/29/89/1384582989.db2.gz QXOHOWSBYGZBCM-UHFFFAOYSA-N 2 0 332.488 3.205 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC001171624093 1384583946 /nfs/dbraw/zinc/58/39/46/1384583946.db2.gz MQCFUIDTCYQEPN-UHFFFAOYSA-N 2 0 335.458 3.254 20 0 EGADRP CC(=O)Nc1ccc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171626292 1384584285 /nfs/dbraw/zinc/58/42/85/1384584285.db2.gz WSACHJFLHOSNMQ-UHFFFAOYSA-N 2 0 331.504 3.429 20 0 EGADRP COC(=O)[C@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171628961 1384585263 /nfs/dbraw/zinc/58/52/63/1384585263.db2.gz NFDXKRWDXBTAQL-QGZVFWFLSA-N 2 0 332.488 3.184 20 0 EGADRP COc1ccc2c(c1)c(C[NH3+])nn2C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629687 1384585625 /nfs/dbraw/zinc/58/56/25/1384585625.db2.gz CCIKQGBTZWRKEV-UHFFFAOYSA-N 2 0 330.476 3.328 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)CCCC[NH2+]CC[C@H](C)F)ccc2c[nH+]cn21 ZINC001171629344 1384585646 /nfs/dbraw/zinc/58/56/46/1384585646.db2.gz LXKLBMBNFSQQJB-GJZGRUSLSA-N 2 0 348.466 3.269 20 0 EGADRP CC(=O)N1CCCC[C@@]12CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637383 1384588377 /nfs/dbraw/zinc/58/83/77/1384588377.db2.gz LUGJVSNWFUZZEP-FQEVSTJZSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171646795 1384591566 /nfs/dbraw/zinc/59/15/66/1384591566.db2.gz PSNGPGWCDCJQQM-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171646794 1384592031 /nfs/dbraw/zinc/59/20/31/1384592031.db2.gz PSNGPGWCDCJQQM-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674694 1384598361 /nfs/dbraw/zinc/59/83/61/1384598361.db2.gz QJSQBBJCMXNLPJ-SFHVURJKSA-N 2 0 343.515 3.080 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171685760 1384602271 /nfs/dbraw/zinc/60/22/71/1384602271.db2.gz ZWBLMFRJTOSSQS-HZPDHXFCSA-N 2 0 330.476 3.259 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001171731331 1384617428 /nfs/dbraw/zinc/61/74/28/1384617428.db2.gz CJVZDNICVGUHIR-UHFFFAOYSA-N 2 0 333.520 3.138 20 0 EGADRP C[C@H]1C[C@@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732729 1384618073 /nfs/dbraw/zinc/61/80/73/1384618073.db2.gz DHZGCIVBMDHYFB-QFBILLFUSA-N 3 0 334.467 3.373 20 0 EGADRP C[NH+](C)Cc1ccc(CSCC[NH2+][C@H]2Cc3cccc(F)c3C2)o1 ZINC001171768688 1384630556 /nfs/dbraw/zinc/63/05/56/1384630556.db2.gz JSTGGOBGZLBGDP-HNNXBMFYSA-N 2 0 348.487 3.471 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171810866 1384646054 /nfs/dbraw/zinc/64/60/54/1384646054.db2.gz COWNMNPOHINPBZ-HNNXBMFYSA-N 2 0 328.460 3.013 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316878805 1384663767 /nfs/dbraw/zinc/66/37/67/1384663767.db2.gz JBESDAZIOUKFCG-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171876882 1384668266 /nfs/dbraw/zinc/66/82/66/1384668266.db2.gz CTXCFJYNBSNPRE-UFYCRDLUSA-N 2 0 343.515 3.144 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171923842 1384683954 /nfs/dbraw/zinc/68/39/54/1384683954.db2.gz JFVDJUIFZMVJPF-KRWDZBQOSA-N 2 0 345.531 3.079 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171924396 1384684031 /nfs/dbraw/zinc/68/40/31/1384684031.db2.gz ODNMELWNPOZKEK-PKOBYXMFSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCC[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929163 1384685250 /nfs/dbraw/zinc/68/52/50/1384685250.db2.gz HPAWCHYHNZXATK-IAGOWNOFSA-N 2 0 343.531 3.264 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001171935912 1384687822 /nfs/dbraw/zinc/68/78/22/1384687822.db2.gz MUKJBKPIIOMDAS-UHFFFAOYSA-N 2 0 341.455 3.474 20 0 EGADRP CCOC(=O)[C@@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974999 1384700864 /nfs/dbraw/zinc/70/08/64/1384700864.db2.gz JNVREIIGYDWREX-WMZOPIPTSA-N 2 0 332.488 3.218 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974212 1384700888 /nfs/dbraw/zinc/70/08/88/1384700888.db2.gz DTOYCJKZHSLZKM-QRVBRYPASA-N 2 0 344.499 3.361 20 0 EGADRP CC1(C)C[C@H](N(CC[NH3+])c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171981721 1384702916 /nfs/dbraw/zinc/70/29/16/1384702916.db2.gz CRQBWFVKZNBZQO-LJQANCHMSA-N 2 0 338.499 3.290 20 0 EGADRP C[N@H+](CCC1OCCO1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986031 1384703582 /nfs/dbraw/zinc/70/35/82/1384703582.db2.gz FHZDAUKFEOQKOQ-SFHVURJKSA-N 2 0 332.488 3.124 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063155 1384715629 /nfs/dbraw/zinc/71/56/29/1384715629.db2.gz XBBRXTYPXBQCRM-LUYSREMJSA-N 2 0 327.516 3.432 20 0 EGADRP Cc1ncn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001172064795 1384716007 /nfs/dbraw/zinc/71/60/07/1384716007.db2.gz JWEUUPIYAWZAPW-ACDBMABISA-N 2 0 338.499 3.451 20 0 EGADRP CN(CCC[NH+](C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078557 1384721087 /nfs/dbraw/zinc/72/10/87/1384721087.db2.gz IGLQAPZMVOUFNI-AERCQKQUSA-N 2 0 329.532 3.456 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001172100229 1384726518 /nfs/dbraw/zinc/72/65/18/1384726518.db2.gz BOUDGGDYKJLJGT-MXEMCNAFSA-N 2 0 327.516 3.428 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC(=O)OCc1ccccc1)C2 ZINC001172104898 1384728280 /nfs/dbraw/zinc/72/82/80/1384728280.db2.gz GPOHRWRHKBLBQP-REPLKXPHSA-N 2 0 330.472 3.115 20 0 EGADRP COc1ccc2c(CC[NH3+])cn([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2c1 ZINC001172118239 1384732447 /nfs/dbraw/zinc/73/24/47/1384732447.db2.gz PRLBEBIZYZUWNY-BJWYYQGGSA-N 2 0 327.472 3.339 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172116659 1384733576 /nfs/dbraw/zinc/73/35/76/1384733576.db2.gz BRBWNAPRQAQEDX-BJWYYQGGSA-N 2 0 349.519 3.087 20 0 EGADRP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172132407 1384737610 /nfs/dbraw/zinc/73/76/10/1384737610.db2.gz KTHVPVKMHZIDIJ-FCGDIQPGSA-N 2 0 329.488 3.249 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234591 1384753780 /nfs/dbraw/zinc/75/37/80/1384753780.db2.gz GRTDIFSGURWDNC-GSWHEVMTSA-N 2 0 330.447 3.384 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172330391 1384771067 /nfs/dbraw/zinc/77/10/67/1384771067.db2.gz LPCVMSUKUMKEJZ-CVEARBPZSA-N 2 0 336.524 3.135 20 0 EGADRP CC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172397170 1384784292 /nfs/dbraw/zinc/78/42/92/1384784292.db2.gz JNPUPXZVKGUZRC-NJDAHSKKSA-N 2 0 345.531 3.429 20 0 EGADRP CC(C)COCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172467539 1384799155 /nfs/dbraw/zinc/79/91/55/1384799155.db2.gz KZONZXLFKREPJH-GOSISDBHSA-N 2 0 333.520 3.334 20 0 EGADRP COc1ccc(C2([NH3+])CC[NH+]([C@@H](C)CCOCC(C)C)CC2)cc1 ZINC001172473558 1384800678 /nfs/dbraw/zinc/80/06/78/1384800678.db2.gz VSRYEXZGZDOZLF-KRWDZBQOSA-N 2 0 334.504 3.396 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172601799 1384817176 /nfs/dbraw/zinc/81/71/76/1384817176.db2.gz GMRFOUHXQZNKLO-WTGUMLROSA-N 2 0 344.499 3.490 20 0 EGADRP CCCC[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172631836 1384823595 /nfs/dbraw/zinc/82/35/95/1384823595.db2.gz ADDFBIFMGCXKIS-OWCLPIDISA-N 2 0 327.513 3.129 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665804 1384829881 /nfs/dbraw/zinc/82/98/81/1384829881.db2.gz NXBLWAAKADYTFY-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001172861631 1384867496 /nfs/dbraw/zinc/86/74/96/1384867496.db2.gz VHRKTNZSHYRNFT-MRVPVSSYSA-N 2 0 348.900 3.294 20 0 EGADRP CO[C@@H]1CCC[C@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)C1 ZINC001172929037 1384881347 /nfs/dbraw/zinc/88/13/47/1384881347.db2.gz NBKOTDNUCJKYNS-BSKKSYLPSA-N 2 0 336.460 3.080 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCCC[NH+]1CCCC1 ZINC001172944294 1384885666 /nfs/dbraw/zinc/88/56/66/1384885666.db2.gz RAVAEVFULPIIAZ-INIZCTEOSA-N 2 0 327.513 3.098 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC001172949243 1384887390 /nfs/dbraw/zinc/88/73/90/1384887390.db2.gz IOQUUCWOMYUYDP-MRXNPFEDSA-N 2 0 327.513 3.098 20 0 EGADRP CCOC(=O)c1ccnc(C[NH2+]C2CCC([NH+](CC)CC)CC2)c1 ZINC001173101972 1384914669 /nfs/dbraw/zinc/91/46/69/1384914669.db2.gz RDKNBRQTPHISTD-UHFFFAOYSA-N 2 0 333.476 3.001 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)Cc2cccc(Cl)c2)CC1 ZINC001173104175 1384915539 /nfs/dbraw/zinc/91/55/39/1384915539.db2.gz LBLTWCCKQBWRFU-XBMUEBEBSA-N 2 0 338.923 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cncnc2C(F)(F)F)CC1 ZINC001173108250 1384916128 /nfs/dbraw/zinc/91/61/28/1384916128.db2.gz HOTYAPZJUAWBBC-UHFFFAOYSA-N 2 0 330.398 3.238 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COC)C2)CC1 ZINC001173109456 1384916203 /nfs/dbraw/zinc/91/62/03/1384916203.db2.gz BNUGIINFKUWONV-GHBBCFCZSA-N 2 0 338.536 3.157 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001173108601 1384916233 /nfs/dbraw/zinc/91/62/33/1384916233.db2.gz OWFMMVKZHBSRQS-UHFFFAOYSA-N 2 0 341.540 3.438 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC001173107366 1384916246 /nfs/dbraw/zinc/91/62/46/1384916246.db2.gz PHENJBLCIHHUHI-XSNSTOHYSA-N 2 0 343.515 3.249 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001173108137 1384916357 /nfs/dbraw/zinc/91/63/57/1384916357.db2.gz FGZLFHDYQBEPSD-UHFFFAOYSA-N 2 0 345.531 3.470 20 0 EGADRP CCC(=O)N(CC)C1CC[NH+](C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173113107 1384917946 /nfs/dbraw/zinc/91/79/46/1384917946.db2.gz HFXPNTSXUYHZAL-UHFFFAOYSA-N 2 0 337.552 3.362 20 0 EGADRP c1nc2c(s1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001173122295 1384918640 /nfs/dbraw/zinc/91/86/40/1384918640.db2.gz XEBHWNWRAQPLRP-IRXDYDNUSA-N 2 0 327.497 3.112 20 0 EGADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2ncsc2C1 ZINC001173144197 1384923095 /nfs/dbraw/zinc/92/30/95/1384923095.db2.gz SMXYBOXXIZCGOZ-MSOLQXFVSA-N 2 0 341.524 3.454 20 0 EGADRP CC[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(Br)ccc32)C1 ZINC001173352407 1384963203 /nfs/dbraw/zinc/96/32/03/1384963203.db2.gz LBEVLEPIONFUTD-CQSZACIVSA-N 2 0 336.277 3.172 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001173354829 1384963603 /nfs/dbraw/zinc/96/36/03/1384963603.db2.gz STTYIADCBXVQGI-CQSZACIVSA-N 2 0 341.421 3.049 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C[C@H]2CCCC[NH+]2Cc2ccc(OC)cc2)C1 ZINC001173367251 1384965898 /nfs/dbraw/zinc/96/58/98/1384965898.db2.gz FJALPGIGYMDNEG-WOJBJXKFSA-N 2 0 345.531 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001317201268 1384977842 /nfs/dbraw/zinc/97/78/42/1384977842.db2.gz AQZHRBNMKRADIH-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]Cc1cccc(C[NH+](C)C)c1)CC2 ZINC001173598173 1384984375 /nfs/dbraw/zinc/98/43/75/1384984375.db2.gz DAOUDRNJUUZSKP-SCCNAQOGSA-N 2 0 344.499 3.350 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC001173606242 1384987375 /nfs/dbraw/zinc/98/73/75/1384987375.db2.gz CFHYNYREGGZYJY-VDUSKEEQSA-N 2 0 334.504 3.105 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC(C)([NH+]3CCCC3)CC1)CC2 ZINC001173626510 1384991317 /nfs/dbraw/zinc/99/13/17/1384991317.db2.gz JTMISNQEOOVBDD-WBTXTPOCSA-N 2 0 348.531 3.449 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001173634080 1384992995 /nfs/dbraw/zinc/99/29/95/1384992995.db2.gz OBCBTEGNRCWLCX-QAPCUYQASA-N 2 0 348.462 3.197 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001173649823 1384995900 /nfs/dbraw/zinc/99/59/00/1384995900.db2.gz IDBIFWIVZXOTSV-HKUYNNGSSA-N 2 0 336.520 3.353 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@@](C)(C[NH3+])C1 ZINC001173660635 1384998372 /nfs/dbraw/zinc/99/83/72/1384998372.db2.gz ZPLJVFXSLTXOQS-GDBMZVCRSA-N 2 0 335.458 3.146 20 0 EGADRP C[C@@H]1CC([NH2+]C(C)(C)CC[NH+](C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173674986 1385000847 /nfs/dbraw/zinc/00/08/47/1385000847.db2.gz JLUQWYLSIVQHES-HUUCEWRRSA-N 2 0 341.540 3.483 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001317396831 1385113540 /nfs/dbraw/zinc/11/35/40/1385113540.db2.gz QUBFFQMGSBNCRP-QGZVFWFLSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1cc(Nc2ccc(OCC3CC[NH+](C)CC3)c(F)c2)cc[nH+]1 ZINC001174657584 1385131085 /nfs/dbraw/zinc/13/10/85/1385131085.db2.gz LJOJTIKKIIIZMW-UHFFFAOYSA-N 2 0 329.419 3.415 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317471748 1385166462 /nfs/dbraw/zinc/16/64/62/1385166462.db2.gz OMTSMHIRJXTHKZ-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905687 1385168395 /nfs/dbraw/zinc/16/83/95/1385168395.db2.gz MLULKARHHKGTNK-LNLFQRSKSA-N 2 0 339.568 3.418 20 0 EGADRP CCc1ccccc1C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001317492726 1385193811 /nfs/dbraw/zinc/19/38/11/1385193811.db2.gz PNPXRSFEJRLWRM-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317501385 1385203627 /nfs/dbraw/zinc/20/36/27/1385203627.db2.gz LAQCIPDHVZJSNJ-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317509851 1385219290 /nfs/dbraw/zinc/21/92/90/1385219290.db2.gz PYTIDXNWMIGFHR-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263678 1385233227 /nfs/dbraw/zinc/23/32/27/1385233227.db2.gz QIJWKUCTTOGYIF-IAGOWNOFSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271821 1385237286 /nfs/dbraw/zinc/23/72/86/1385237286.db2.gz FDWFYVDGSVUSPL-QGZVFWFLSA-N 2 0 343.531 3.123 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273486 1385238183 /nfs/dbraw/zinc/23/81/83/1385238183.db2.gz SGSDZFNWSJUJNS-MJRGOJFPSA-N 2 0 337.552 3.339 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001175318010 1385250905 /nfs/dbraw/zinc/25/09/05/1385250905.db2.gz UEVAOOYLIQELGL-WMZOPIPTSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001317623131 1385358217 /nfs/dbraw/zinc/35/82/17/1385358217.db2.gz LCBPKZHXNAINCH-PMACEKPBSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001317636398 1385367526 /nfs/dbraw/zinc/36/75/26/1385367526.db2.gz NQXZGCZJHALAJC-LPHOPBHVSA-N 2 0 349.494 3.198 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001175768140 1385399811 /nfs/dbraw/zinc/39/98/11/1385399811.db2.gz LGKKRFXRIDOBLB-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176023408 1385463286 /nfs/dbraw/zinc/46/32/86/1385463286.db2.gz HNIJGMTYVQTVHB-CNZFZVQHSA-N 2 0 325.541 3.339 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176024956 1385464718 /nfs/dbraw/zinc/46/47/18/1385464718.db2.gz VOTUASIZYAIAAK-JKSUJKDBSA-N 2 0 347.494 3.028 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001176025202 1385465181 /nfs/dbraw/zinc/46/51/81/1385465181.db2.gz ZDSWVVYNAVVRJN-LJQANCHMSA-N 2 0 347.547 3.144 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176033593 1385466885 /nfs/dbraw/zinc/46/68/85/1385466885.db2.gz SORQRBRUBQYIOT-LJQANCHMSA-N 2 0 347.547 3.226 20 0 EGADRP COc1cc(Nc2cc(C)[nH+]c(C)c2)ccc1OCC[NH+]1CCCC1 ZINC001176059219 1385474611 /nfs/dbraw/zinc/47/46/11/1385474611.db2.gz CPIFGBRUDJSJET-UHFFFAOYSA-N 2 0 341.455 3.347 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176110857 1385486313 /nfs/dbraw/zinc/48/63/13/1385486313.db2.gz CTDRSCZGAVGWCS-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164678 1385500262 /nfs/dbraw/zinc/50/02/62/1385500262.db2.gz DCSPLGQKNUMWKE-ROUUACIJSA-N 2 0 339.568 3.419 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165215 1385500637 /nfs/dbraw/zinc/50/06/37/1385500637.db2.gz JKQNHZFPDNHIFD-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192042 1385507457 /nfs/dbraw/zinc/50/74/57/1385507457.db2.gz CRYWVDZAYMVIDK-INIZCTEOSA-N 2 0 334.508 3.216 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176269460 1385532344 /nfs/dbraw/zinc/53/23/44/1385532344.db2.gz TZDLOFMNLHBUKI-OAHLLOKOSA-N 2 0 347.494 3.028 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(CC)c1 ZINC001176277465 1385536153 /nfs/dbraw/zinc/53/61/53/1385536153.db2.gz FNLSKHUIINMNRJ-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176279643 1385536701 /nfs/dbraw/zinc/53/67/01/1385536701.db2.gz OQTYDHVQJUMHSJ-NRJHKNTJSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176283906 1385538883 /nfs/dbraw/zinc/53/88/83/1385538883.db2.gz ARBDEIOSCQZFCY-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318087 1385550183 /nfs/dbraw/zinc/55/01/83/1385550183.db2.gz JXDGCIHQPGLACI-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001176327189 1385552928 /nfs/dbraw/zinc/55/29/28/1385552928.db2.gz CQXJNUCPFVUYIR-QGZVFWFLSA-N 2 0 349.494 3.249 20 0 EGADRP CCCN(C(=O)C[NH2+]C(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001318211674 1385628627 /nfs/dbraw/zinc/62/86/27/1385628627.db2.gz QRCOMFJOMYNYKG-IBGZPJMESA-N 2 0 345.531 3.278 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001318281086 1385639802 /nfs/dbraw/zinc/63/98/02/1385639802.db2.gz DUJCBFWWQHZRTQ-HKUYNNGSSA-N 2 0 345.531 3.224 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884372 1385730548 /nfs/dbraw/zinc/73/05/48/1385730548.db2.gz DVUNPRCTAHPXIS-SFHVURJKSA-N 2 0 331.504 3.028 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176890635 1385735359 /nfs/dbraw/zinc/73/53/59/1385735359.db2.gz ZDUMPJTVSKZTBI-KRWDZBQOSA-N 2 0 333.520 3.140 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930880 1385746392 /nfs/dbraw/zinc/74/63/92/1385746392.db2.gz SHZMPSHBQKLIKJ-SFHVURJKSA-N 2 0 331.504 3.028 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001176991995 1385765613 /nfs/dbraw/zinc/76/56/13/1385765613.db2.gz GVHRJWRQKNSHKP-MJGOQNOKSA-N 2 0 331.504 3.026 20 0 EGADRP Cc1cccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001176992735 1385767301 /nfs/dbraw/zinc/76/73/01/1385767301.db2.gz ZCABSADPCNZGQH-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cc2cc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)oc2cc1C ZINC001177213791 1385866382 /nfs/dbraw/zinc/86/63/82/1385866382.db2.gz JQLDVMGOYPWKNA-UHFFFAOYSA-N 2 0 329.488 3.165 20 0 EGADRP CC1CC(C[NH2+]CCCN(CC2CCCC2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001177267809 1385890533 /nfs/dbraw/zinc/89/05/33/1385890533.db2.gz YTLLAJFTSPTKHF-UUKMXZOPSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC001318979507 1385907220 /nfs/dbraw/zinc/90/72/20/1385907220.db2.gz QRNWOCBRNLWUCF-VAMGGRTRSA-N 2 0 345.531 3.098 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001177331012 1385916907 /nfs/dbraw/zinc/91/69/07/1385916907.db2.gz FNRSLODVJJEPPP-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001177339610 1385919498 /nfs/dbraw/zinc/91/94/98/1385919498.db2.gz LRYHSQKNQATMRX-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)C1 ZINC001177415717 1385948385 /nfs/dbraw/zinc/94/83/85/1385948385.db2.gz JEYNSIWINLWYBD-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001177415786 1385948641 /nfs/dbraw/zinc/94/86/41/1385948641.db2.gz LLBWQJLBYFJJAN-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001177415778 1385948876 /nfs/dbraw/zinc/94/88/76/1385948876.db2.gz LGOBRSHXVFBITN-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001177489331 1385976683 /nfs/dbraw/zinc/97/66/83/1385976683.db2.gz ZURLYFOVKNUDTH-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccc(F)c(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC001177636810 1386012870 /nfs/dbraw/zinc/01/28/70/1386012870.db2.gz GVCVSXJPJXOBCZ-UHFFFAOYSA-N 2 0 341.474 3.171 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178468840 1386226934 /nfs/dbraw/zinc/22/69/34/1386226934.db2.gz XEZNAJZAIBKOBR-FQEVSTJZSA-N 2 0 345.531 3.326 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001319709344 1386263183 /nfs/dbraw/zinc/26/31/83/1386263183.db2.gz ILTXXMWWBFOFIG-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178688473 1386277736 /nfs/dbraw/zinc/27/77/36/1386277736.db2.gz JQSKQPORYAJQCW-VOTSOKGWSA-N 2 0 337.552 3.483 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CCC1 ZINC001178693235 1386279464 /nfs/dbraw/zinc/27/94/64/1386279464.db2.gz MANILQHPSIOGQQ-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]CCC2CCCC2)CCC1 ZINC001178692854 1386280014 /nfs/dbraw/zinc/28/00/14/1386280014.db2.gz DPTZXRDVQBRHKV-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCCCCC[NH2+]CCCCCF ZINC001178729295 1386291779 /nfs/dbraw/zinc/29/17/79/1386291779.db2.gz RTUPKENZSSVYGA-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001178733326 1386292802 /nfs/dbraw/zinc/29/28/02/1386292802.db2.gz MZZUINZDKGVRHA-ACBHZAAOSA-N 2 0 337.552 3.173 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001178808863 1386313029 /nfs/dbraw/zinc/31/30/29/1386313029.db2.gz XMQLABCOPNCUCO-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178853347 1386329434 /nfs/dbraw/zinc/32/94/34/1386329434.db2.gz HMWXGJZNVQMEBF-UHFFFAOYSA-N 2 0 331.520 3.123 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001179026397 1386381533 /nfs/dbraw/zinc/38/15/33/1386381533.db2.gz ZOVHLYFINAMMKM-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001179032922 1386383061 /nfs/dbraw/zinc/38/30/61/1386383061.db2.gz UCWMAQKBYWNQRP-MIGHCRNESA-N 2 0 340.471 3.192 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179134257 1386407256 /nfs/dbraw/zinc/40/72/56/1386407256.db2.gz JNLNUFUSZYPPRZ-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001179212770 1386425012 /nfs/dbraw/zinc/42/50/12/1386425012.db2.gz VKELVBKXFXDCFZ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001179234377 1386428566 /nfs/dbraw/zinc/42/85/66/1386428566.db2.gz MDINVZFWGLUSBO-LNLFQRSKSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001179379002 1386467667 /nfs/dbraw/zinc/46/76/67/1386467667.db2.gz VTRXSYNYDPLTRY-ICSRJNTNSA-N 2 0 349.563 3.483 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC(CC)CC)[C@@H]2C)C1 ZINC001179388975 1386472352 /nfs/dbraw/zinc/47/23/52/1386472352.db2.gz VYDBSDJELLWTRH-WDSOQIARSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001179400372 1386475005 /nfs/dbraw/zinc/47/50/05/1386475005.db2.gz NDBDYQJSGKSVCR-UVTDQMKNSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001179403728 1386476313 /nfs/dbraw/zinc/47/63/13/1386476313.db2.gz SYBLEDOEGPVANY-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001179463281 1386487885 /nfs/dbraw/zinc/48/78/85/1386487885.db2.gz AVXAVPNJBPGWKP-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CCCCc1ccccc1 ZINC001179461586 1386488070 /nfs/dbraw/zinc/48/80/70/1386488070.db2.gz RACOMIQUQXFBFE-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001179464128 1386488664 /nfs/dbraw/zinc/48/86/64/1386488664.db2.gz NRCWTGHKXBCHLM-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001179498984 1386499407 /nfs/dbraw/zinc/49/94/07/1386499407.db2.gz LATLKVHXQNNIBM-HXUWFJFHSA-N 2 0 347.547 3.347 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001320090822 1386504520 /nfs/dbraw/zinc/50/45/20/1386504520.db2.gz PWGMLJXOGMQWBH-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179534727 1386509223 /nfs/dbraw/zinc/50/92/23/1386509223.db2.gz SRQASSTWNRFZPD-LNLFQRSKSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)[NH+](CC)CC ZINC001179565215 1386515697 /nfs/dbraw/zinc/51/56/97/1386515697.db2.gz NBHXWEYQIQUZPW-IAGOWNOFSA-N 2 0 331.520 3.121 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179580898 1386522256 /nfs/dbraw/zinc/52/22/56/1386522256.db2.gz VBQCFLFCIJSBGE-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179590242 1386525271 /nfs/dbraw/zinc/52/52/71/1386525271.db2.gz FIIIJSHRECCQJP-ZWKOTPCHSA-N 2 0 325.541 3.031 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCCCCCC[NH2+]CC2CC2)cc1 ZINC001179592797 1386526644 /nfs/dbraw/zinc/52/66/44/1386526644.db2.gz OKOBRYLBIKKPEE-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001179609300 1386530380 /nfs/dbraw/zinc/53/03/80/1386530380.db2.gz NDUGJFOVBSDTCX-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001179748542 1386571174 /nfs/dbraw/zinc/57/11/74/1386571174.db2.gz BKFYEUSEKUOAHM-NNIASQDCSA-N 2 0 337.552 3.434 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C)c1ccccc1 ZINC001179852702 1386607542 /nfs/dbraw/zinc/60/75/42/1386607542.db2.gz YZNXYJQIGXBBQY-WDSOQIARSA-N 2 0 331.504 3.059 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CCc1ccc(C)cc1 ZINC001179850397 1386607834 /nfs/dbraw/zinc/60/78/34/1386607834.db2.gz CNGYPKJBZDIHBX-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP CC1CC[NH+](CC(=O)NCCCCCC[NH2+]CC2CCCC2)CC1 ZINC001179892222 1386620209 /nfs/dbraw/zinc/62/02/09/1386620209.db2.gz YQLCORDJSXKFAV-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179897810 1386621860 /nfs/dbraw/zinc/62/18/60/1386621860.db2.gz YNMWPZXIMDVOHB-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001179988953 1386660208 /nfs/dbraw/zinc/66/02/08/1386660208.db2.gz RDPXXPIWXHJHQN-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001180060685 1386683679 /nfs/dbraw/zinc/68/36/79/1386683679.db2.gz LNDBBVLTXBPBPV-SFHVURJKSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065587 1386685437 /nfs/dbraw/zinc/68/54/37/1386685437.db2.gz UXPNJFXIYCMUHB-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C)c1 ZINC001180095565 1386696234 /nfs/dbraw/zinc/69/62/34/1386696234.db2.gz GJBMTUDQGFIKKT-UHFFFAOYSA-N 2 0 347.547 3.493 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)CS1 ZINC001320719003 1386700685 /nfs/dbraw/zinc/70/06/85/1386700685.db2.gz KQKCGUJDMUPNKG-PMACEKPBSA-N 2 0 347.572 3.054 20 0 EGADRP Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc2c[nH+]cn21 ZINC001320840563 1386734158 /nfs/dbraw/zinc/73/41/58/1386734158.db2.gz URESKGBMYVWXFR-UHFFFAOYSA-N 2 0 348.450 3.169 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001180365708 1386775458 /nfs/dbraw/zinc/77/54/58/1386775458.db2.gz DFSZIZDEIVBRQB-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180372893 1386778072 /nfs/dbraw/zinc/77/80/72/1386778072.db2.gz LOEDZLQDLPTVIT-ZWKOTPCHSA-N 2 0 343.531 3.121 20 0 EGADRP COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001321283846 1386866711 /nfs/dbraw/zinc/86/67/11/1386866711.db2.gz TVUQQJWZWCKLOT-HNNXBMFYSA-N 2 0 345.512 3.359 20 0 EGADRP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001321356408 1386884194 /nfs/dbraw/zinc/88/41/94/1386884194.db2.gz YXIMDSAKWVQZBE-CVEARBPZSA-N 2 0 333.545 3.228 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1coc2ccccc12 ZINC001181485907 1387002275 /nfs/dbraw/zinc/00/22/75/1387002275.db2.gz KZBSMQKYMAIRKV-GOSISDBHSA-N 2 0 329.488 3.281 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001181793667 1387056468 /nfs/dbraw/zinc/05/64/68/1387056468.db2.gz YYRWGTZYDSQLJK-RFVVQAKJSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC(C)C)C1)[NH+](C)C ZINC001181884218 1387070460 /nfs/dbraw/zinc/07/04/60/1387070460.db2.gz DKQUKFTZIIUNLP-SOAMZJECSA-N 2 0 339.568 3.083 20 0 EGADRP Cc1cc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001322183393 1387093039 /nfs/dbraw/zinc/09/30/39/1387093039.db2.gz QUQLRNPKDRNJJG-ICSRJNTNSA-N 2 0 347.547 3.135 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322393452 1387178376 /nfs/dbraw/zinc/17/83/76/1387178376.db2.gz XJLZVXGRQINJLJ-ZSYWTGECSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182517397 1387181165 /nfs/dbraw/zinc/18/11/65/1387181165.db2.gz RYVBFGXVESMKJL-QWFCFKBJSA-N 2 0 339.568 3.083 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182516586 1387181205 /nfs/dbraw/zinc/18/12/05/1387181205.db2.gz JUNGCFAMHHLZGK-BDOUJZDASA-N 2 0 337.552 3.003 20 0 EGADRP CC[C@@H](C(=O)N1CCC(CC[NH2+][C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001698703804 1406345644 /nfs/dbraw/zinc/34/56/44/1406345644.db2.gz UAWYONBBQTVOKB-PXNSSMCTSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589947 1387192746 /nfs/dbraw/zinc/19/27/46/1387192746.db2.gz LIGFUQYRAVDMCL-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634606 1387216895 /nfs/dbraw/zinc/21/68/95/1387216895.db2.gz VIEGMPPRWDCUHI-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP O=C(CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1cccc(Cl)c1 ZINC001329491584 1389130881 /nfs/dbraw/zinc/13/08/81/1389130881.db2.gz UZMDMUAHTFVCCI-UHFFFAOYSA-N 2 0 335.879 3.134 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1)[NH+](C)C ZINC001698716684 1406360402 /nfs/dbraw/zinc/36/04/02/1406360402.db2.gz IKAOQFYYYIDHCQ-RWDIZSIFSA-N 2 0 343.515 3.057 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(CC(F)(F)F)s3)C[C@@H]2C1 ZINC001336889349 1389197514 /nfs/dbraw/zinc/19/75/14/1389197514.db2.gz SLJNQCLXICCDJN-FRRDWIJNSA-N 2 0 347.450 3.410 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001331028281 1389601325 /nfs/dbraw/zinc/60/13/25/1389601325.db2.gz DVCSXZUWPJBAKR-QGZVFWFLSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001698749550 1406400633 /nfs/dbraw/zinc/40/06/33/1406400633.db2.gz WCSLRTPJUQXWSN-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC ZINC001332359289 1390095852 /nfs/dbraw/zinc/09/58/52/1390095852.db2.gz LXQWOBANIZNGQE-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001333199993 1390265622 /nfs/dbraw/zinc/26/56/22/1390265622.db2.gz NZTLHHFGCQKREV-SZMVWBNQSA-N 2 0 337.552 3.142 20 0 EGADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001333199992 1390265770 /nfs/dbraw/zinc/26/57/70/1390265770.db2.gz NZTLHHFGCQKREV-NXHRZFHOSA-N 2 0 337.552 3.142 20 0 EGADRP CC[C@@H](C(=O)NCC1=CC[N@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001333433321 1390303728 /nfs/dbraw/zinc/30/37/28/1390303728.db2.gz MODNQEMDJZOYEZ-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCSCCC[NH3+])cc2)C1 ZINC001340802237 1390371325 /nfs/dbraw/zinc/37/13/25/1390371325.db2.gz FBKNXDNXHSWULD-INIZCTEOSA-N 2 0 349.544 3.329 20 0 EGADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1cccc(Br)c1 ZINC001333683602 1390374187 /nfs/dbraw/zinc/37/41/87/1390374187.db2.gz FWQOTPIXPNABCY-ZDUSSCGKSA-N 2 0 341.293 3.148 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC001340841935 1390382337 /nfs/dbraw/zinc/38/23/37/1390382337.db2.gz BAWVGQWQDIAZLN-UHOSZYNNSA-N 2 0 329.488 3.040 20 0 EGADRP [NH3+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c2ccccc21 ZINC001341525590 1390497920 /nfs/dbraw/zinc/49/79/20/1390497920.db2.gz MCAJRHDVDOKPAA-ZWKOTPCHSA-N 2 0 349.478 3.158 20 0 EGADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001341553699 1390501274 /nfs/dbraw/zinc/50/12/74/1390501274.db2.gz SSYLNKUUICTWCF-SOLBZPMBSA-N 2 0 329.488 3.245 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]([NH3+])C(C)(C)C)c1ccsc1 ZINC001341555952 1390501724 /nfs/dbraw/zinc/50/17/24/1390501724.db2.gz QFTUYOIDEOLCAN-CABCVRRESA-N 2 0 325.522 3.011 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001334309359 1390514789 /nfs/dbraw/zinc/51/47/89/1390514789.db2.gz SNFWIQPPFPBRGT-SLFFLAALSA-N 2 0 343.515 3.098 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C)c1OC ZINC001334355203 1390523938 /nfs/dbraw/zinc/52/39/38/1390523938.db2.gz AMHSTIMPSJPRJQ-RCCFBDPRSA-N 2 0 332.488 3.174 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)C[C@H]2C1 ZINC001334723474 1390574769 /nfs/dbraw/zinc/57/47/69/1390574769.db2.gz DYDJNFLTJHMZFU-YQVWRLOYSA-N 2 0 342.462 3.309 20 0 EGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccco1 ZINC001342717390 1390645043 /nfs/dbraw/zinc/64/50/43/1390645043.db2.gz MREAGSLPHUEOKB-CXAGYDPISA-N 2 0 340.427 3.095 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335430097 1390683800 /nfs/dbraw/zinc/68/38/00/1390683800.db2.gz KTHUQTPSIBLHAP-CJNGLKHVSA-N 2 0 330.394 3.060 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343333054 1390707617 /nfs/dbraw/zinc/70/76/17/1390707617.db2.gz MGKGPYWCJVUAAY-RCCFBDPRSA-N 2 0 332.536 3.417 20 0 EGADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001343334534 1390707848 /nfs/dbraw/zinc/70/78/48/1390707848.db2.gz UBHRUJBYBVDNGX-CGTJXYLNSA-N 2 0 332.488 3.174 20 0 EGADRP CC[C@@]1(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC[NH2+]C1 ZINC001345767030 1390883794 /nfs/dbraw/zinc/88/37/94/1390883794.db2.gz BJQVDOBJMRGYIE-YLJYHZDGSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1ccc(NC(=[NH2+])NCCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001346587956 1390958546 /nfs/dbraw/zinc/95/85/46/1390958546.db2.gz AGTLXXJSLFJWGM-UHFFFAOYSA-N 2 0 340.471 3.114 20 0 EGADRP Cc1c(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001348023469 1391161501 /nfs/dbraw/zinc/16/15/01/1391161501.db2.gz INISZLKZLPJTMB-SFHVURJKSA-N 2 0 335.407 3.074 20 0 EGADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC001353527618 1392032074 /nfs/dbraw/zinc/03/20/74/1392032074.db2.gz WHCCYBXPCLNMBZ-PBHICJAKSA-N 2 0 349.544 3.246 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001698845701 1406546291 /nfs/dbraw/zinc/54/62/91/1406546291.db2.gz NLNNGXRLXOMBNI-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479300077 1392207730 /nfs/dbraw/zinc/20/77/30/1392207730.db2.gz MWJKHBHSXIDDLA-KURKYZTESA-N 2 0 343.515 3.025 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001479831087 1392417296 /nfs/dbraw/zinc/41/72/96/1392417296.db2.gz CSFBXIGMRCMJJI-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001479907141 1392474340 /nfs/dbraw/zinc/47/43/40/1392474340.db2.gz LJEKHGPDEBLNDV-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+]C1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001480409725 1392746143 /nfs/dbraw/zinc/74/61/43/1392746143.db2.gz OLSZSAHCNKRIDB-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001480709978 1392872037 /nfs/dbraw/zinc/87/20/37/1392872037.db2.gz UGOPXRFUDHPZJP-OALUTQOASA-N 2 0 349.494 3.015 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849345 1392981794 /nfs/dbraw/zinc/98/17/94/1392981794.db2.gz WPLLEVPKVCXTQZ-APWZRJJASA-N 2 0 345.531 3.187 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](C)CC1CCC(C(C)(C)C)CC1)[NH+](C)C ZINC001480936529 1393031598 /nfs/dbraw/zinc/03/15/98/1393031598.db2.gz IDQYQWVGVLWCIZ-ABHNRTSZSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)CC1CCCCC1 ZINC001480984978 1393067093 /nfs/dbraw/zinc/06/70/93/1393067093.db2.gz FJBLKKYRCJGVBC-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1C(C)C ZINC001480998008 1393076865 /nfs/dbraw/zinc/07/68/65/1393076865.db2.gz PBXSGRCYSUUXBT-UHFFFAOYSA-N 2 0 345.531 3.090 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001481216299 1393150322 /nfs/dbraw/zinc/15/03/22/1393150322.db2.gz XKKCGVFIYUQVSB-VQIMIIECSA-N 2 0 331.504 3.013 20 0 EGADRP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001481343826 1393168925 /nfs/dbraw/zinc/16/89/25/1393168925.db2.gz SNTVXHOIBANWOF-KRWDZBQOSA-N 2 0 345.531 3.235 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](CC)c1ccccc1 ZINC001481386097 1394224643 /nfs/dbraw/zinc/22/46/43/1394224643.db2.gz OCHJFVFISJXRKP-HSALFYBXSA-N 2 0 343.515 3.155 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490778939 1394343218 /nfs/dbraw/zinc/34/32/18/1394343218.db2.gz YNLIOWSQIDGICQ-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001491174002 1394458903 /nfs/dbraw/zinc/45/89/03/1394458903.db2.gz VNYSHGSVZPZDCN-OALUTQOASA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481779679 1394525408 /nfs/dbraw/zinc/52/54/08/1394525408.db2.gz WFKUQMNGGZYQIQ-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001481839959 1394553711 /nfs/dbraw/zinc/55/37/11/1394553711.db2.gz HMBVEHMAOFGZIY-RTBURBONSA-N 2 0 345.531 3.063 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001482022714 1394680170 /nfs/dbraw/zinc/68/01/70/1394680170.db2.gz MPSYUYDLELGDEM-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1)[NH+](C)C ZINC001482221221 1394814126 /nfs/dbraw/zinc/81/41/26/1394814126.db2.gz CEQIMVVBLIEKSV-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CCCC1)[NH+](C)C ZINC001482223135 1394817295 /nfs/dbraw/zinc/81/72/95/1394817295.db2.gz WYUVCPAZIQQWBC-LJQANCHMSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001482226939 1394820950 /nfs/dbraw/zinc/82/09/50/1394820950.db2.gz BBDVKLRDNGZYNY-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001482504312 1395057714 /nfs/dbraw/zinc/05/77/14/1395057714.db2.gz ICXMIBYVUCWHMA-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C[C@H]1C ZINC001483917295 1395144225 /nfs/dbraw/zinc/14/42/25/1395144225.db2.gz VFBQJGHLPDVNCI-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001483959601 1395163005 /nfs/dbraw/zinc/16/30/05/1395163005.db2.gz ZAYPFZQMJYJKCU-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CCCC3CCC3)C2)CCC1 ZINC001484159458 1395294959 /nfs/dbraw/zinc/29/49/59/1395294959.db2.gz AZBGFIXRFVXEMN-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484757667 1395509321 /nfs/dbraw/zinc/50/93/21/1395509321.db2.gz QYCBRHICBVQMGZ-MRXNPFEDSA-N 2 0 349.494 3.009 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001484983678 1395624386 /nfs/dbraw/zinc/62/43/86/1395624386.db2.gz XBSXMQOEBNJBAL-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001484997982 1395641368 /nfs/dbraw/zinc/64/13/68/1395641368.db2.gz FKZIDFUJUWGEKT-HNAYVOBHSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001485583137 1396058944 /nfs/dbraw/zinc/05/89/44/1396058944.db2.gz YMXHEPHBCSLQEK-SJORKVTESA-N 2 0 339.568 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001491959888 1396301040 /nfs/dbraw/zinc/30/10/40/1396301040.db2.gz QLPQQDSUDSEQRU-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)c1cccc2ccccc21 ZINC001493678208 1396341468 /nfs/dbraw/zinc/34/14/68/1396341468.db2.gz XJCBANJIVVXJGR-QGZVFWFLSA-N 2 0 341.499 3.291 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001495918833 1396572201 /nfs/dbraw/zinc/57/22/01/1396572201.db2.gz LSOFXTQTHPADBY-IBGZPJMESA-N 2 0 347.547 3.212 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498454718 1397000870 /nfs/dbraw/zinc/00/08/70/1397000870.db2.gz DRNQLOUPWGMEMW-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001690388751 1404525261 /nfs/dbraw/zinc/52/52/61/1404525261.db2.gz PCDYNAXPIOTWQH-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1cc(C[NH2+]C2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)cs1 ZINC001690534394 1404624871 /nfs/dbraw/zinc/62/48/71/1404624871.db2.gz UUPATVSSRKQHGG-UHFFFAOYSA-N 2 0 349.544 3.058 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)C2)ccc2c[nH+]cn21 ZINC001690774192 1404723242 /nfs/dbraw/zinc/72/32/42/1404723242.db2.gz DVRGJTNDMVABTO-YYCKWKRISA-N 2 0 346.862 3.026 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001691000565 1404917734 /nfs/dbraw/zinc/91/77/34/1404917734.db2.gz LEGFPGIYUCHJDJ-FQEVSTJZSA-N 2 0 345.531 3.034 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001691056420 1404977229 /nfs/dbraw/zinc/97/72/29/1404977229.db2.gz YXERPQBGBIAGTH-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691172459 1405107893 /nfs/dbraw/zinc/10/78/93/1405107893.db2.gz GFSTYCBCAOGCLF-SZMVWBNQSA-N 2 0 346.519 3.043 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001691209037 1405149251 /nfs/dbraw/zinc/14/92/51/1405149251.db2.gz ORTYFHDZKZZNKE-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)[NH+]1CCCCC1 ZINC001691758107 1405475022 /nfs/dbraw/zinc/47/50/22/1405475022.db2.gz SEVZPPPUBQMWNO-VWAQSERHSA-N 2 0 349.563 3.027 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C)(C)CC1 ZINC001691830984 1405545208 /nfs/dbraw/zinc/54/52/08/1405545208.db2.gz BDAACUAABIRTJL-KDURUIRLSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731770419 1427881832 /nfs/dbraw/zinc/88/18/32/1427881832.db2.gz VMSDDLRPAVUIDX-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001698549140 1406146867 /nfs/dbraw/zinc/14/68/67/1406146867.db2.gz ASQZTWBUDDBYJO-QUCCMNQESA-N 2 0 343.515 3.123 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001732055588 1428299264 /nfs/dbraw/zinc/29/92/64/1428299264.db2.gz ZCPRFHHFEWFZID-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732154203 1428397354 /nfs/dbraw/zinc/39/73/54/1428397354.db2.gz FTRPXMNXMXHCNL-QRVBRYPASA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001732216781 1428464389 /nfs/dbraw/zinc/46/43/89/1428464389.db2.gz FVTYQVWVYQDVQR-ICSRJNTNSA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@@H]([NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1)c1ccccc1 ZINC001732231821 1428478638 /nfs/dbraw/zinc/47/86/38/1428478638.db2.gz UZSFEFGWIWSFDS-RTBURBONSA-N 2 0 345.531 3.497 20 0 EGADRP Cc1cc(C[NH2+]CC2(NC(=O)C[N@@H+](C)C3CCC3)CCCC2)cs1 ZINC001732232006 1428478749 /nfs/dbraw/zinc/47/87/49/1428478749.db2.gz XVHHIXFWMYSLGT-UHFFFAOYSA-N 2 0 349.544 3.059 20 0 EGADRP CCCC[NH+]1CCC(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001732326541 1428535001 /nfs/dbraw/zinc/53/50/01/1428535001.db2.gz XZIVMRLEZBEUMA-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001732403245 1428567916 /nfs/dbraw/zinc/56/79/16/1428567916.db2.gz OJSPODFCOQMHEL-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001699380719 1412690233 /nfs/dbraw/zinc/69/02/33/1412690233.db2.gz ZLZTVYWRSSTCLE-QGZVFWFLSA-N 2 0 347.547 3.382 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001699481223 1412875373 /nfs/dbraw/zinc/87/53/73/1412875373.db2.gz GIWAPCODGGYBEZ-UXHICEINSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699487635 1412883655 /nfs/dbraw/zinc/88/36/55/1412883655.db2.gz MBTJUFKIMYYJPB-WOJBJXKFSA-N 2 0 345.531 3.282 20 0 EGADRP CN(C)[C@@H](C(=O)NCC1([NH2+]CCC2CCCC2)CC1)c1ccccc1 ZINC001699675257 1413068590 /nfs/dbraw/zinc/06/85/90/1413068590.db2.gz FJGOPSZINSYPDE-LJQANCHMSA-N 2 0 343.515 3.108 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001699684272 1413080468 /nfs/dbraw/zinc/08/04/68/1413080468.db2.gz YGIBAGYEVOZYSB-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001699738032 1413148992 /nfs/dbraw/zinc/14/89/92/1413148992.db2.gz JNKUEBYWKIQWFZ-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H](c1ccccc1F)[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001699772361 1413179330 /nfs/dbraw/zinc/17/93/30/1413179330.db2.gz HFKDHVKKJMMOLR-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001699825907 1413251167 /nfs/dbraw/zinc/25/11/67/1413251167.db2.gz JZYWEWNYNSQAOG-TZIWHRDSSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699872823 1413323489 /nfs/dbraw/zinc/32/34/89/1413323489.db2.gz GIXDKXWVZZVJIL-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)c(C)c1 ZINC001700124585 1413540181 /nfs/dbraw/zinc/54/01/81/1413540181.db2.gz DCZNBLDOMPRGJP-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001700314438 1413770421 /nfs/dbraw/zinc/77/04/21/1413770421.db2.gz SZTLFWFXHBZMTN-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001700323790 1413791279 /nfs/dbraw/zinc/79/12/79/1413791279.db2.gz MJURHXYLSFFWJS-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001700357477 1413863269 /nfs/dbraw/zinc/86/32/69/1413863269.db2.gz OGKUQDWVPKMQBV-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001700365004 1413886987 /nfs/dbraw/zinc/88/69/87/1413886987.db2.gz SZZVSNNNDHLMLY-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001700487721 1414135670 /nfs/dbraw/zinc/13/56/70/1414135670.db2.gz NQZFCGKHSRPTPB-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001700555196 1414225133 /nfs/dbraw/zinc/22/51/33/1414225133.db2.gz PKRNGKVMNSTFGR-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1C ZINC001732582799 1428791448 /nfs/dbraw/zinc/79/14/48/1428791448.db2.gz ZXRYXWUHRWXGCF-UYAOXDASSA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+]([C@@H](C)c1ccccc1)C2 ZINC001700620979 1414290642 /nfs/dbraw/zinc/29/06/42/1414290642.db2.gz FYYCLSDEAXEGOK-SFHVURJKSA-N 2 0 343.515 3.014 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700761740 1414434870 /nfs/dbraw/zinc/43/48/70/1414434870.db2.gz RFEGPKCXEASCCQ-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc2ccccc2c1 ZINC001700765093 1414439446 /nfs/dbraw/zinc/43/94/46/1414439446.db2.gz XRGGDJFPXQPAGW-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001700802028 1414468402 /nfs/dbraw/zinc/46/84/02/1414468402.db2.gz SLXGGJBOXRIZGP-SJORKVTESA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001732604502 1428856855 /nfs/dbraw/zinc/85/68/55/1428856855.db2.gz BSXLPYDQRHZBPV-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001707148554 1417222862 /nfs/dbraw/zinc/22/28/62/1417222862.db2.gz ZRTBMAAGZXJVBH-YLJYHZDGSA-N 2 0 345.531 3.377 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713130807 1417703864 /nfs/dbraw/zinc/70/38/64/1417703864.db2.gz PTMIPUAEVYKDSC-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713219215 1417799827 /nfs/dbraw/zinc/79/98/27/1417799827.db2.gz LFGNCZDVYPVPCN-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001713339487 1417963265 /nfs/dbraw/zinc/96/32/65/1417963265.db2.gz JXBMEDARSHAREZ-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)Cc1ccccc1 ZINC001713497573 1418209709 /nfs/dbraw/zinc/20/97/09/1418209709.db2.gz RSFVLAPNEUFKOG-HXUWFJFHSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCCC2)CC1 ZINC001713515632 1418251325 /nfs/dbraw/zinc/25/13/25/1418251325.db2.gz YGNWMSQFFQLLDU-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001713734484 1418526178 /nfs/dbraw/zinc/52/61/78/1418526178.db2.gz IWDHFRLOCRMNPP-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713794502 1418614593 /nfs/dbraw/zinc/61/45/93/1418614593.db2.gz YVFGPDRZLSZTIO-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713804934 1418617538 /nfs/dbraw/zinc/61/75/38/1418617538.db2.gz UOIAXYPIEQDQAS-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713838378 1418635675 /nfs/dbraw/zinc/63/56/75/1418635675.db2.gz GAKBJICOWULAJP-PMACEKPBSA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C2CC2)CCC1 ZINC001733171135 1429273322 /nfs/dbraw/zinc/27/33/22/1429273322.db2.gz AFTIYVBEJFJUOH-SFHVURJKSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CC23CC[NH+](CC2CCCCC2)CC3)CCC1 ZINC001713848320 1418644180 /nfs/dbraw/zinc/64/41/80/1418644180.db2.gz WWOZMOLXQCGMHR-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](CC)CC1 ZINC001713857814 1418654377 /nfs/dbraw/zinc/65/43/77/1418654377.db2.gz FLFWPTYASYUBGA-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714036010 1418824404 /nfs/dbraw/zinc/82/44/04/1418824404.db2.gz PKXSWWGEACUGKR-ROUUACIJSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001714078528 1418873211 /nfs/dbraw/zinc/87/32/11/1418873211.db2.gz CYBYMTGETGZSIN-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001714134196 1418936785 /nfs/dbraw/zinc/93/67/85/1418936785.db2.gz BTQBNMYKPUIFEQ-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2cc(C)ccc2C)CC1)[NH+](C)C ZINC001714196936 1419001979 /nfs/dbraw/zinc/00/19/79/1419001979.db2.gz OKJFJXBYLAZLGO-MHJFOBGBSA-N 2 0 345.531 3.161 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714289452 1419068040 /nfs/dbraw/zinc/06/80/40/1419068040.db2.gz KDMTVXKOTWNHBU-IAGOWNOFSA-N 2 0 347.547 3.481 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C1CCCCC1)CC2 ZINC001714365058 1419125383 /nfs/dbraw/zinc/12/53/83/1419125383.db2.gz DRZHOLOLWUKLOJ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001714366506 1419126156 /nfs/dbraw/zinc/12/61/56/1419126156.db2.gz PQWWYGRTPFKUCU-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)[C@H](C)c1ccccc1 ZINC001714587151 1419330169 /nfs/dbraw/zinc/33/01/69/1419330169.db2.gz OGZAMWQTFXEKJD-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)cs1 ZINC001714626065 1419396229 /nfs/dbraw/zinc/39/62/29/1419396229.db2.gz WOOMOFWHRUXBML-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714799098 1419514053 /nfs/dbraw/zinc/51/40/53/1419514053.db2.gz NAJRMPPQZBZFIZ-MOPGFXCFSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(C(C)C)cc1 ZINC001714833077 1419543770 /nfs/dbraw/zinc/54/37/70/1419543770.db2.gz PAHUYAMWOUPNAN-LJQANCHMSA-N 2 0 345.531 3.451 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001714861214 1419583132 /nfs/dbraw/zinc/58/31/32/1419583132.db2.gz OMFSMBYDSLWTHZ-LJQANCHMSA-N 2 0 349.494 3.034 20 0 EGADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](CC)c1ccccc1 ZINC001715063269 1419801754 /nfs/dbraw/zinc/80/17/54/1419801754.db2.gz ACAXPURQPJZXFR-OALUTQOASA-N 2 0 343.515 3.251 20 0 EGADRP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CC1CCCCC1 ZINC001715069908 1419805399 /nfs/dbraw/zinc/80/53/99/1419805399.db2.gz WCVKPYGGXJXZFZ-KRWDZBQOSA-N 2 0 342.487 3.321 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001715457434 1420138477 /nfs/dbraw/zinc/13/84/77/1420138477.db2.gz PMKCCKJEQXRYMB-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001715479275 1420157616 /nfs/dbraw/zinc/15/76/16/1420157616.db2.gz ZNDIERJOOZWZQD-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCCCC1 ZINC001715501008 1420183470 /nfs/dbraw/zinc/18/34/70/1420183470.db2.gz DZXWNHMHYWAMCG-LJQANCHMSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001715502564 1420185349 /nfs/dbraw/zinc/18/53/49/1420185349.db2.gz QDLFPMNOADVVPC-LJQANCHMSA-N 2 0 347.547 3.203 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001715548339 1420244800 /nfs/dbraw/zinc/24/48/00/1420244800.db2.gz KXKCNYWPLCZEPR-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001715580300 1420260920 /nfs/dbraw/zinc/26/09/20/1420260920.db2.gz XDZDBJWPTMHAJV-UXHICEINSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040951 1420502251 /nfs/dbraw/zinc/50/22/51/1420502251.db2.gz KIHQFRPWIKNZFB-FXAWDEMLSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048507 1420512313 /nfs/dbraw/zinc/51/23/13/1420512313.db2.gz AWWLMCUKIIKIEK-PKOBYXMFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478277 1420693431 /nfs/dbraw/zinc/69/34/31/1420693431.db2.gz PXFFLAOJFDQMOJ-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001716492792 1420715014 /nfs/dbraw/zinc/71/50/14/1420715014.db2.gz WQONCANOMPEJMK-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001716500828 1420726963 /nfs/dbraw/zinc/72/69/63/1420726963.db2.gz KYJWLVXBLICHMK-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716725042 1420883517 /nfs/dbraw/zinc/88/35/17/1420883517.db2.gz RCLJLZOKQRYTSN-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716730605 1420888834 /nfs/dbraw/zinc/88/88/34/1420888834.db2.gz ATIPTTDECXMXFM-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001716850976 1420981516 /nfs/dbraw/zinc/98/15/16/1420981516.db2.gz TUAHQADOAISUCJ-OAQYLSRUSA-N 2 0 345.531 3.116 20 0 EGADRP CC1(CNC(=O)CCc2c[nH]cn2)CC[NH+](CCCC2CCC2)CC1 ZINC001716885517 1421008951 /nfs/dbraw/zinc/00/89/51/1421008951.db2.gz TWHFSTAZUWNPFX-UHFFFAOYSA-N 2 0 346.519 3.141 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC1(C)C ZINC001717312335 1421257779 /nfs/dbraw/zinc/25/77/79/1421257779.db2.gz RWGSGEFVOAKEOE-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCc1cccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001717338072 1421275593 /nfs/dbraw/zinc/27/55/93/1421275593.db2.gz PKHSJDKFOMFCLF-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCCC[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001717532092 1421468369 /nfs/dbraw/zinc/46/83/69/1421468369.db2.gz YPEQCRHNTVSDFS-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCCCC2)CCC1 ZINC001717537561 1421475505 /nfs/dbraw/zinc/47/55/05/1421475505.db2.gz HNZPBQUUKPRNJH-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001717827060 1421640811 /nfs/dbraw/zinc/64/08/11/1421640811.db2.gz VHOYAIHSLLVGJG-VQIMIIECSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCC(C)(C)C ZINC001717855156 1421667242 /nfs/dbraw/zinc/66/72/42/1421667242.db2.gz CTVMJBURFYHYMS-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCC2CCCC2)CC1)[NH+](C)C ZINC001717980629 1421752019 /nfs/dbraw/zinc/75/20/19/1421752019.db2.gz FEECKLDTRWGOHE-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCCC1)C1CC([NH2+]Cc2ccccc2)C1 ZINC001717999757 1421766955 /nfs/dbraw/zinc/76/69/55/1421766955.db2.gz JUTCDDHJQRFQJA-UHFFFAOYSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC/C=C/c2ccccc2)C1 ZINC001733412707 1429614294 /nfs/dbraw/zinc/61/42/94/1429614294.db2.gz ONYVTAHKYPKJAE-NBILRRPASA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001733413095 1429615465 /nfs/dbraw/zinc/61/54/65/1429615465.db2.gz UQMQGZMPKLIBMS-OAQYLSRUSA-N 2 0 345.531 3.232 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001733453700 1429667644 /nfs/dbraw/zinc/66/76/44/1429667644.db2.gz RPKDRZVUUYYLPW-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1[NH2+]C(C)C ZINC001723377184 1424377445 /nfs/dbraw/zinc/37/74/45/1424377445.db2.gz JFHSHJDAQAVZMD-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001723875928 1424594828 /nfs/dbraw/zinc/59/48/28/1424594828.db2.gz OBVWJBIFKPVQGU-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001724118613 1424672981 /nfs/dbraw/zinc/67/29/81/1424672981.db2.gz FQIAHJIOJUDWJU-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(C)c(C[N@H+]2CC[C@@](C)(NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001724172674 1424706873 /nfs/dbraw/zinc/70/68/73/1424706873.db2.gz DRGYVQIHPCVTNU-OAQYLSRUSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001724183719 1424718143 /nfs/dbraw/zinc/71/81/43/1424718143.db2.gz LBLORVFBYXCGQD-AZUAARDMSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724833110 1425178716 /nfs/dbraw/zinc/17/87/16/1425178716.db2.gz BASVHOXXXLRPQR-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001725007138 1425420487 /nfs/dbraw/zinc/42/04/87/1425420487.db2.gz RFWWQHAPKZXCEB-ABSDTBQOSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)CCC1CCCC1 ZINC001725157322 1425649126 /nfs/dbraw/zinc/64/91/26/1425649126.db2.gz BUFFPRUFDRZPPE-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1)CC(C)(C)C ZINC001725244789 1425860845 /nfs/dbraw/zinc/86/08/45/1425860845.db2.gz YSBGNDVYANYCLX-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@H]1C ZINC001725691586 1426374850 /nfs/dbraw/zinc/37/48/50/1426374850.db2.gz XCVUYFRKUNKQSD-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC2(CC2)CC1)[NH+](C)C ZINC001731544242 1427559413 /nfs/dbraw/zinc/55/94/13/1427559413.db2.gz XOYDGJXWQGKDBA-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001731678630 1427726309 /nfs/dbraw/zinc/72/63/09/1427726309.db2.gz CYHDQHVWVUJUES-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)[C@H](C)c1ccccc1 ZINC001731873536 1428134693 /nfs/dbraw/zinc/13/46/93/1428134693.db2.gz LEJSZTBPUGDJGW-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001733661812 1429854760 /nfs/dbraw/zinc/85/47/60/1429854760.db2.gz LAEVOAYBCXIVDO-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CN(CCC[N@H+](C)CCCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001733773926 1430012907 /nfs/dbraw/zinc/01/29/07/1430012907.db2.gz VAEOIBMBNRAHAY-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@@H+]1CC1CCC1 ZINC001734464070 1438120377 /nfs/dbraw/zinc/12/03/77/1438120377.db2.gz XGINEASZLZCJRK-PXNSSMCTSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001734586673 1438176674 /nfs/dbraw/zinc/17/66/74/1438176674.db2.gz VVEGVGNJMJNVGG-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001734593624 1438179904 /nfs/dbraw/zinc/17/99/04/1438179904.db2.gz CIVMSPSLHYYAKX-WWDZGPRUSA-N 2 0 343.515 3.119 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001752156175 1440147078 /nfs/dbraw/zinc/14/70/78/1440147078.db2.gz JDFUQBVDTSJIIV-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCCC1 ZINC001752157425 1440147576 /nfs/dbraw/zinc/14/75/76/1440147576.db2.gz QBFNWTIHDLKLPD-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001752432010 1440178534 /nfs/dbraw/zinc/17/85/34/1440178534.db2.gz RDYXNGNGKPRDRR-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752564360 1440195224 /nfs/dbraw/zinc/19/52/24/1440195224.db2.gz AFDSZIAMVUQVPO-AQNXPRMDSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001752569130 1440195633 /nfs/dbraw/zinc/19/56/33/1440195633.db2.gz ZERAJSVPMPHIHO-ZCNNSNEGSA-N 2 0 349.563 3.361 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001752799152 1440214794 /nfs/dbraw/zinc/21/47/94/1440214794.db2.gz LJARGQUFGKQUIW-CEXWTWQISA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001752820214 1440219911 /nfs/dbraw/zinc/21/99/11/1440219911.db2.gz CQWYWEJGVKUSBU-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001752820212 1440220048 /nfs/dbraw/zinc/22/00/48/1440220048.db2.gz CQWYWEJGVKUSBU-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CCC(=O)NC[C@H]1CCCC[NH+]1CC1CCC1)C1CCCCC1 ZINC001752827697 1440224329 /nfs/dbraw/zinc/22/43/29/1440224329.db2.gz NUDQSKHDIUTIKR-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752831131 1440225297 /nfs/dbraw/zinc/22/52/97/1440225297.db2.gz AQHIYGTZVCNZSD-RBUKOAKNSA-N 2 0 337.552 3.364 20 0 EGADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001752840231 1440230066 /nfs/dbraw/zinc/23/00/66/1440230066.db2.gz JVOMFGGSSLNHTL-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752842395 1440231400 /nfs/dbraw/zinc/23/14/00/1440231400.db2.gz ZGDYEWKODXCFBZ-DSQZMVHQSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001752850090 1440233426 /nfs/dbraw/zinc/23/34/26/1440233426.db2.gz JZHQNXGWHIDBIP-UHFFFAOYSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1=CCCCC1 ZINC001752873123 1440237434 /nfs/dbraw/zinc/23/74/34/1440237434.db2.gz OYBRNHNTJWHOLM-PKOBYXMFSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCCCC1 ZINC001752902834 1440243412 /nfs/dbraw/zinc/24/34/12/1440243412.db2.gz IDTQBXOBLVQESM-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CCCCCC3)C2)CCC1 ZINC001752972092 1440255251 /nfs/dbraw/zinc/25/52/51/1440255251.db2.gz TYNWISDJZRJRPP-OALUTQOASA-N 2 0 349.563 3.458 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001752976750 1440256143 /nfs/dbraw/zinc/25/61/43/1440256143.db2.gz RDSYMKXKWUBRKI-UXHICEINSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001752992988 1440260416 /nfs/dbraw/zinc/26/04/16/1440260416.db2.gz YAIGZAJTACNNIA-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752997717 1440262971 /nfs/dbraw/zinc/26/29/71/1440262971.db2.gz SLSLGHOJQYNDLX-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001753031711 1440273132 /nfs/dbraw/zinc/27/31/32/1440273132.db2.gz ZWTISASFSWQFNK-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001753137278 1440319449 /nfs/dbraw/zinc/31/94/49/1440319449.db2.gz HPSVRNQJWCLFHU-APWZRJJASA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC1CCC2(CC2)CC1 ZINC001753144703 1440323494 /nfs/dbraw/zinc/32/34/94/1440323494.db2.gz GDQPEBQFANQHBO-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001753300543 1440353965 /nfs/dbraw/zinc/35/39/65/1440353965.db2.gz VSOKHDSYYIVYHL-IBGZPJMESA-N 2 0 343.515 3.274 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753349966 1440377548 /nfs/dbraw/zinc/37/75/48/1440377548.db2.gz ZSZDXSCNCLVSFM-MRXNPFEDSA-N 2 0 349.544 3.170 20 0 EGADRP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001753462502 1440411718 /nfs/dbraw/zinc/41/17/18/1440411718.db2.gz XSMIOOSSZZOHHN-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCCC[C@@]1(C[NH2+]CCCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001753535744 1440432465 /nfs/dbraw/zinc/43/24/65/1440432465.db2.gz LRYBXCGDZFHRSN-XLIONFOSSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1cccc(C[NH2+]C[C@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)c1 ZINC001753536302 1440432713 /nfs/dbraw/zinc/43/27/13/1440432713.db2.gz SCJUYTPWJOULMC-GHTZIAJQSA-N 2 0 345.531 3.101 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001753559778 1440436666 /nfs/dbraw/zinc/43/66/66/1440436666.db2.gz NOWWMSJXGDAXMN-RBUKOAKNSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001753587441 1440441836 /nfs/dbraw/zinc/44/18/36/1440441836.db2.gz WLJYMXFDJVWPIO-WGSAOQKQSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCC2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001753599480 1440446008 /nfs/dbraw/zinc/44/60/08/1440446008.db2.gz BYUKCPHDGUHKEJ-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001753645424 1440455696 /nfs/dbraw/zinc/45/56/96/1440455696.db2.gz ZEYMRKHDKBPIPO-SJLPKXTDSA-N 2 0 333.520 3.047 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753712243 1440471013 /nfs/dbraw/zinc/47/10/13/1440471013.db2.gz HBURVBHVDMXVDV-KRWDZBQOSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001753728553 1440474963 /nfs/dbraw/zinc/47/49/63/1440474963.db2.gz CFYCZWQNRYOAMK-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001753734202 1440477232 /nfs/dbraw/zinc/47/72/32/1440477232.db2.gz WKQMDOYWIXHXNU-PMACEKPBSA-N 2 0 345.531 3.018 20 0 EGADRP CC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCCC1 ZINC001753745996 1440480884 /nfs/dbraw/zinc/48/08/84/1440480884.db2.gz LRZHGRWZHOQKBD-INIZCTEOSA-N 2 0 337.533 3.098 20 0 EGADRP CC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCCC1 ZINC001753745997 1440480926 /nfs/dbraw/zinc/48/09/26/1440480926.db2.gz LRZHGRWZHOQKBD-MRXNPFEDSA-N 2 0 337.533 3.098 20 0 EGADRP CCC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCCC1 ZINC001753749982 1440482332 /nfs/dbraw/zinc/48/23/32/1440482332.db2.gz VHPIEESIFZUVMF-FQEVSTJZSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001753788012 1440488414 /nfs/dbraw/zinc/48/84/14/1440488414.db2.gz KIRFNLVRMUZGPK-IBGZPJMESA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001753812611 1440493074 /nfs/dbraw/zinc/49/30/74/1440493074.db2.gz FVBFIDHONLFMBL-UXHICEINSA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[N@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001753823256 1440497002 /nfs/dbraw/zinc/49/70/02/1440497002.db2.gz BWEUHEVYYQKLMA-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001753829961 1440499325 /nfs/dbraw/zinc/49/93/25/1440499325.db2.gz DYODAXLYXSJWKK-MSOLQXFVSA-N 2 0 337.552 3.027 20 0 EGADRP CCC(CC)C[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001753831933 1440499940 /nfs/dbraw/zinc/49/99/40/1440499940.db2.gz CZDCQNRTRWPJGU-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CC1CC(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753860751 1440511172 /nfs/dbraw/zinc/51/11/72/1440511172.db2.gz IRIJLCYACMROOC-QLOJAFMTSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001753879035 1440520183 /nfs/dbraw/zinc/52/01/83/1440520183.db2.gz ZQMKWDVHFPHUMM-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001754049000 1440535457 /nfs/dbraw/zinc/53/54/57/1440535457.db2.gz DQRHHYOPHBJQMO-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]([NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001754055781 1440536240 /nfs/dbraw/zinc/53/62/40/1440536240.db2.gz WYEJOPSKBYHCFR-LJQANCHMSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001754228431 1440553650 /nfs/dbraw/zinc/55/36/50/1440553650.db2.gz HVAFXWLMEXKUOE-APWZRJJASA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C(C)C)CC[N@@H+]1C ZINC001754266675 1440560744 /nfs/dbraw/zinc/56/07/44/1440560744.db2.gz CNCRZTWBTAXHOK-FFZOFVMBSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001754288623 1440564564 /nfs/dbraw/zinc/56/45/64/1440564564.db2.gz YRDKJQOPTGVGOO-OALUTQOASA-N 2 0 345.531 3.191 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001754289715 1440564831 /nfs/dbraw/zinc/56/48/31/1440564831.db2.gz RVPMZIOCZQLOTJ-JKSUJKDBSA-N 2 0 349.494 3.101 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC1=CCCCC1 ZINC001754314062 1440574514 /nfs/dbraw/zinc/57/45/14/1440574514.db2.gz JRQRNFNFAZJIIO-PKOBYXMFSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001754326449 1440580933 /nfs/dbraw/zinc/58/09/33/1440580933.db2.gz KGCOHUSYSQXQPT-QUCCMNQESA-N 2 0 345.531 3.194 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001754336893 1440586997 /nfs/dbraw/zinc/58/69/97/1440586997.db2.gz PHTOUWYRIFGDAZ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001754347033 1440589961 /nfs/dbraw/zinc/58/99/61/1440589961.db2.gz VECDPVNQLYRFDV-RAEMOODJSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCCCC1 ZINC001754382650 1440593509 /nfs/dbraw/zinc/59/35/09/1440593509.db2.gz WNYBDLMLTQLSNU-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1=CCCCC1 ZINC001754401035 1440595314 /nfs/dbraw/zinc/59/53/14/1440595314.db2.gz OHYVBBPLMJMHCP-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]CCCC(C)(C)C ZINC001754417112 1440596894 /nfs/dbraw/zinc/59/68/94/1440596894.db2.gz XXRIFSOGPSWVPT-CALCHBBNSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001754460985 1440603444 /nfs/dbraw/zinc/60/34/44/1440603444.db2.gz FEBHOJJMQHFEKR-PMACEKPBSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001754495156 1440611758 /nfs/dbraw/zinc/61/17/58/1440611758.db2.gz GITUGYVWIVNRGC-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CC1 ZINC001754528052 1440621769 /nfs/dbraw/zinc/62/17/69/1440621769.db2.gz ZPVMYQYNNWXDFG-KRWDZBQOSA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[N@H+](CC2CCC2)C2CCCCCC2)CCC1 ZINC001754545350 1440627134 /nfs/dbraw/zinc/62/71/34/1440627134.db2.gz HOGFUFFBZSQJBD-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](CC2CC2)CC2CC(C)C2)CC1 ZINC001754548711 1440628938 /nfs/dbraw/zinc/62/89/38/1440628938.db2.gz CAPHSDNTTZRFMO-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001754565734 1440635501 /nfs/dbraw/zinc/63/55/01/1440635501.db2.gz SJYQTJVBKQZRFG-PZJWPPBQSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)c(C)c1 ZINC001754598402 1440641948 /nfs/dbraw/zinc/64/19/48/1440641948.db2.gz IYQOVHCAHATAFB-OALUTQOASA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001754604423 1440643032 /nfs/dbraw/zinc/64/30/32/1440643032.db2.gz WSDDPIILBCASIU-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001754605056 1440643125 /nfs/dbraw/zinc/64/31/25/1440643125.db2.gz VSVMKFRAPDYBQH-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001754611728 1440643885 /nfs/dbraw/zinc/64/38/85/1440643885.db2.gz PYDNVXWDDDNEMM-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)C1 ZINC001754628971 1440647140 /nfs/dbraw/zinc/64/71/40/1440647140.db2.gz MJXDDJNTZGVRCW-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001754651739 1440652197 /nfs/dbraw/zinc/65/21/97/1440652197.db2.gz TUCPWCWPKJNCCJ-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001754696742 1440667214 /nfs/dbraw/zinc/66/72/14/1440667214.db2.gz CKNXYJCASOLWIB-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001754868250 1440703965 /nfs/dbraw/zinc/70/39/65/1440703965.db2.gz OBMZDWRWKSTJCT-GUDVDZBRSA-N 2 0 337.552 3.218 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001754945015 1440712562 /nfs/dbraw/zinc/71/25/62/1440712562.db2.gz PKQLTRDHPLGWQZ-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001754948001 1440713938 /nfs/dbraw/zinc/71/39/38/1440713938.db2.gz DPBYCHGITHGHTN-RDJHCISDSA-N 2 0 349.906 3.048 20 0 EGADRP CCCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001754951194 1440715028 /nfs/dbraw/zinc/71/50/28/1440715028.db2.gz LQKWQXPIHIBRCS-QFBILLFUSA-N 2 0 331.504 3.095 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034643 1440733554 /nfs/dbraw/zinc/73/35/54/1440733554.db2.gz VQBAWOBIAVKNTR-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034644 1440733634 /nfs/dbraw/zinc/73/36/34/1440733634.db2.gz VQBAWOBIAVKNTR-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001755047433 1440742097 /nfs/dbraw/zinc/74/20/97/1440742097.db2.gz NTDQAJQZVCBARG-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001755161833 1440764979 /nfs/dbraw/zinc/76/49/79/1440764979.db2.gz NDXYWWFWAKXQLE-ROUUACIJSA-N 2 0 335.536 3.164 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001755161977 1440765061 /nfs/dbraw/zinc/76/50/61/1440765061.db2.gz OVMJRVAPNGLKCL-WYNBNGFRSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001755289597 1440803344 /nfs/dbraw/zinc/80/33/44/1440803344.db2.gz POCUFEZSKGPFER-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCCC1 ZINC001755350889 1440827831 /nfs/dbraw/zinc/82/78/31/1440827831.db2.gz KCYKAKVQQVJUCB-ACBHZAAOSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CC=C(C)C)CCCCC2)CC[N@@H+]1C ZINC001755351202 1440827851 /nfs/dbraw/zinc/82/78/51/1440827851.db2.gz UALYIZHYVLIYSM-ZWKOTPCHSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001755366052 1440834376 /nfs/dbraw/zinc/83/43/76/1440834376.db2.gz JJPGZNKYJPPOGE-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001755387863 1440841000 /nfs/dbraw/zinc/84/10/00/1440841000.db2.gz SBABMJYESLKPLF-KRWDZBQOSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755414018 1440847887 /nfs/dbraw/zinc/84/78/87/1440847887.db2.gz NYCCXIOFFPABDX-MSOLQXFVSA-N 2 0 349.494 3.055 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755414974 1440848066 /nfs/dbraw/zinc/84/80/66/1440848066.db2.gz CNZDQYBRKXCXHT-ZMBJWTFHSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414901 1440848165 /nfs/dbraw/zinc/84/81/65/1440848165.db2.gz CKYKVPGWSZIMGQ-YJBOKZPZSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)CC1(C)C)[NH+]1CCCC1 ZINC001755415941 1440848979 /nfs/dbraw/zinc/84/89/79/1440848979.db2.gz NWNONXJBXSNNQR-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001755502917 1440862734 /nfs/dbraw/zinc/86/27/34/1440862734.db2.gz KLNZTIVMALUQNJ-MJGOQNOKSA-N 2 0 335.536 3.234 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC2CC(C)(C)C2)CC1 ZINC001755536043 1440869457 /nfs/dbraw/zinc/86/94/57/1440869457.db2.gz ZSJUZQNQWRARMQ-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001755569638 1440876688 /nfs/dbraw/zinc/87/66/88/1440876688.db2.gz MQYAOADYBFEQIT-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755587952 1440880772 /nfs/dbraw/zinc/88/07/72/1440880772.db2.gz NTAVULRMHNXMFH-PKOBYXMFSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001755590663 1440881420 /nfs/dbraw/zinc/88/14/20/1440881420.db2.gz PQYPLDJIESBLDT-FXAWDEMLSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]Cc1ccccc1 ZINC001755596418 1440882819 /nfs/dbraw/zinc/88/28/19/1440882819.db2.gz HLOTWOVKWPCEQJ-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001755607997 1440886338 /nfs/dbraw/zinc/88/63/38/1440886338.db2.gz YHRKEAKWGQHDKM-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1)c1ccccc1 ZINC001755610540 1440887059 /nfs/dbraw/zinc/88/70/59/1440887059.db2.gz ONAFLWJSBAZLRX-YLJYHZDGSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001755611740 1440887269 /nfs/dbraw/zinc/88/72/69/1440887269.db2.gz SRFXACCZTPRJDO-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C)cc1 ZINC001755665481 1440893311 /nfs/dbraw/zinc/89/33/11/1440893311.db2.gz WZALGBQFGSJORV-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001755701785 1440900436 /nfs/dbraw/zinc/90/04/36/1440900436.db2.gz RPRZGMXNUIPVPH-SFHLNBCPSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)[C@H]1C ZINC001755721158 1440907453 /nfs/dbraw/zinc/90/74/53/1440907453.db2.gz MLUMRCKBZVGJCY-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)[C@H]1C ZINC001755721156 1440907460 /nfs/dbraw/zinc/90/74/60/1440907460.db2.gz MLUMRCKBZVGJCY-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C/C=C\c2ccccc2)[C@@H]1C ZINC001755722035 1440908037 /nfs/dbraw/zinc/90/80/37/1440908037.db2.gz DTYABLGVSFPGMT-UXRNRCMTSA-N 2 0 343.515 3.009 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCCC1 ZINC001755723445 1440908502 /nfs/dbraw/zinc/90/85/02/1440908502.db2.gz PCSXTGVNRKCEQV-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001755817065 1440923982 /nfs/dbraw/zinc/92/39/82/1440923982.db2.gz BKQUDKDFFBZVHL-RBUKOAKNSA-N 2 0 337.552 3.242 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001755830242 1440928432 /nfs/dbraw/zinc/92/84/32/1440928432.db2.gz KUHCHMLWUKHIEV-OALUTQOASA-N 2 0 345.531 3.136 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001755832579 1440929195 /nfs/dbraw/zinc/92/91/95/1440929195.db2.gz PZJKCWIRPKAYCD-AEFFLSMTSA-N 2 0 337.552 3.029 20 0 EGADRP Cn1ccnc1[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531160 168369261 /nfs/dbraw/zinc/36/92/61/168369261.db2.gz TYYMLWXISNIQDK-PZJWPPBQSA-N 2 0 338.499 3.373 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000174539586 231235101 /nfs/dbraw/zinc/23/51/01/231235101.db2.gz GIFYULWQYOKESJ-ZCNNSNEGSA-N 2 0 346.515 3.310 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179413058 233001202 /nfs/dbraw/zinc/00/12/02/233001202.db2.gz YILCEKMRAQSLBZ-UHFFFAOYSA-N 2 0 326.488 3.095 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224710 235339404 /nfs/dbraw/zinc/33/94/04/235339404.db2.gz RGMADFPOHHIJSK-QZTJIDSGSA-N 2 0 337.552 3.160 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000129069782 223017661 /nfs/dbraw/zinc/01/76/61/223017661.db2.gz ASKZVHBYWPIUHV-AAEUAGOBSA-N 2 0 327.266 3.250 20 0 EGADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193951643 240376861 /nfs/dbraw/zinc/37/68/61/240376861.db2.gz BNGANRLYTJCITM-HSALFYBXSA-N 2 0 326.484 3.330 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(Br)cc3F)C[C@@H]21 ZINC000230045899 242224752 /nfs/dbraw/zinc/22/47/52/242224752.db2.gz OUIGODKWVHCVCO-RIEGTJTDSA-N 2 0 327.241 3.147 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)C[NH2+]CC1CC1)C1CCCCC1 ZINC000262648033 245094374 /nfs/dbraw/zinc/09/43/74/245094374.db2.gz PLVWZINLVZDSJP-UHFFFAOYSA-N 2 0 329.488 3.389 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000049554103 214018615 /nfs/dbraw/zinc/01/86/15/214018615.db2.gz QEAUODWVXYJJKM-RYUDHWBXSA-N 2 0 346.256 3.282 20 0 EGADRP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377633580 169052729 /nfs/dbraw/zinc/05/27/29/169052729.db2.gz VKRLCCUDPBAKNS-SZVBFZGTSA-N 2 0 331.504 3.003 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccnc1 ZINC000092741132 218164480 /nfs/dbraw/zinc/16/44/80/218164480.db2.gz JVOLXNXCHUPUEM-IBGZPJMESA-N 2 0 338.499 3.335 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000268794523 252245951 /nfs/dbraw/zinc/24/59/51/252245951.db2.gz FLFCDGRDASKEGC-YLJYHZDGSA-N 2 0 334.504 3.060 20 0 EGADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000268821205 252270383 /nfs/dbraw/zinc/27/03/83/252270383.db2.gz LWOHIWUCFICXBR-BXWFABGCSA-N 2 0 332.488 3.162 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000268862029 252309352 /nfs/dbraw/zinc/30/93/52/252309352.db2.gz DWZRIZIWDGUKAY-MJGOQNOKSA-N 2 0 334.504 3.363 20 0 EGADRP CC(C)CCOc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000097095762 218950031 /nfs/dbraw/zinc/95/00/31/218950031.db2.gz KZNISVBPEFUPKI-UHFFFAOYSA-N 2 0 334.504 3.441 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1 ZINC000112528886 220343851 /nfs/dbraw/zinc/34/38/51/220343851.db2.gz BTFZPLHNCFDKHZ-HNNXBMFYSA-N 2 0 344.890 3.338 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000153760480 224154145 /nfs/dbraw/zinc/15/41/45/224154145.db2.gz CQQUSNMUXJARPI-GJZGRUSLSA-N 2 0 335.517 3.346 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000246554538 285313244 /nfs/dbraw/zinc/31/32/44/285313244.db2.gz WTJQWHGVOVNWJR-PWRODBHTSA-N 2 0 328.500 3.422 20 0 EGADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000119033360 221228051 /nfs/dbraw/zinc/22/80/51/221228051.db2.gz OYOJPNWKEYSUGR-KPFFTGBYSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000158205807 533377365 /nfs/dbraw/zinc/37/73/65/533377365.db2.gz PNBBEEDIBWCELT-GOSISDBHSA-N 2 0 341.503 3.430 20 0 EGADRP C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156873663 533439017 /nfs/dbraw/zinc/43/90/17/533439017.db2.gz YITNKIOWUZAOLT-BEFAXECRSA-N 2 0 348.512 3.247 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000153705330 533502858 /nfs/dbraw/zinc/50/28/58/533502858.db2.gz TTYPJQSYSLMEKZ-IPYPFGDCSA-N 2 0 342.430 3.157 20 0 EGADRP C[C@@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806387 549334408 /nfs/dbraw/zinc/33/44/08/549334408.db2.gz ZBGVMYZFMGSLFM-ICSRJNTNSA-N 2 0 329.532 3.361 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246878168 141040342 /nfs/dbraw/zinc/04/03/42/141040342.db2.gz DUNVTUYXTGCENA-GHTZIAJQSA-N 3 0 329.532 3.491 20 0 EGADRP Cc1csc(N2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)n1 ZINC000339500672 141124222 /nfs/dbraw/zinc/12/42/22/141124222.db2.gz SBOZSJGVIFSMNF-UHFFFAOYSA-N 2 0 336.549 3.276 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000342810990 141150081 /nfs/dbraw/zinc/15/00/81/141150081.db2.gz SFDDXRIEBNDGLJ-WMZOPIPTSA-N 2 0 332.488 3.064 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000350559712 141253794 /nfs/dbraw/zinc/25/37/94/141253794.db2.gz SECCEOGXGGABBF-RTWAWAEBSA-N 2 0 341.543 3.140 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000353444867 141297065 /nfs/dbraw/zinc/29/70/65/141297065.db2.gz IJWGLVFXYYKDHF-WOJBJXKFSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ccc(CCC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000353458828 141301230 /nfs/dbraw/zinc/30/12/30/141301230.db2.gz LBHOAXIRAVHTEF-KDURUIRLSA-N 2 0 345.531 3.144 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)cc1)C(C)C ZINC000356848067 141353745 /nfs/dbraw/zinc/35/37/45/141353745.db2.gz KNBHSJDBJZPLFK-IAGOWNOFSA-N 2 0 331.504 3.082 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000187208569 144155001 /nfs/dbraw/zinc/15/50/01/144155001.db2.gz ACUOFBTYISRQST-UHFFFAOYSA-N 2 0 325.456 3.189 20 0 EGADRP Cc1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488465 144268795 /nfs/dbraw/zinc/26/87/95/144268795.db2.gz FRRJBBFNNXAKKY-NUEKZKHPSA-N 2 0 331.847 3.473 20 0 EGADRP C[N@H+](C[C@@H](O)CN1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516321 144272966 /nfs/dbraw/zinc/27/29/66/144272966.db2.gz XKKYSYQJOYLUCJ-YADHBBJMSA-N 2 0 336.479 3.241 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)C)oc1C ZINC000351809915 144309299 /nfs/dbraw/zinc/30/92/99/144309299.db2.gz MKISFGONPALFMC-QGZVFWFLSA-N 2 0 349.519 3.200 20 0 EGADRP C[N@H+](CCC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000121623482 152362821 /nfs/dbraw/zinc/36/28/21/152362821.db2.gz UKIHSACMRGOYSL-UHFFFAOYSA-N 2 0 332.488 3.315 20 0 EGADRP O[C@@H](COc1ccccc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121729499 152368042 /nfs/dbraw/zinc/36/80/42/152368042.db2.gz GUKGQPHIVQDXEO-HXUWFJFHSA-N 2 0 346.515 3.014 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2COC)[C@H](C)C1 ZINC000122049052 152386655 /nfs/dbraw/zinc/38/66/55/152386655.db2.gz JCQXYUSZCBJAPZ-YLJYHZDGSA-N 2 0 334.504 3.060 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(F)nc3)CC2)cc1 ZINC000189017477 153046524 /nfs/dbraw/zinc/04/65/24/153046524.db2.gz IGXWCSPEQGUXJA-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192922926 153266208 /nfs/dbraw/zinc/26/62/08/153266208.db2.gz CPEPJSDOECPHBZ-SFHVURJKSA-N 2 0 340.515 3.157 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135815 153382904 /nfs/dbraw/zinc/38/29/04/153382904.db2.gz KQAPCBTWXPHOKB-FUHWJXTLSA-N 2 0 332.488 3.218 20 0 EGADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000337336833 154290218 /nfs/dbraw/zinc/29/02/18/154290218.db2.gz MIXBBMGDXIXUFN-KAMYIIQDSA-N 2 0 342.405 3.155 20 0 EGADRP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[N@@H+]1C ZINC000346803576 156141037 /nfs/dbraw/zinc/14/10/37/156141037.db2.gz FZWOGWWEHQCTNE-XCDJFROHSA-N 2 0 327.516 3.254 20 0 EGADRP CCOc1c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)nn1CC(C)C ZINC000347037956 156258593 /nfs/dbraw/zinc/25/85/93/156258593.db2.gz HXNNAHFNBLMBQE-IBGZPJMESA-N 2 0 348.535 3.210 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(C(C)C)s1 ZINC000349039438 156328144 /nfs/dbraw/zinc/32/81/44/156328144.db2.gz XLDWZLHRTNPGEL-INIZCTEOSA-N 2 0 338.565 3.114 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2c(cccc2F)[nH]1 ZINC000349081802 156347694 /nfs/dbraw/zinc/34/76/94/156347694.db2.gz WETCFHHMTBLJLX-QGZVFWFLSA-N 2 0 346.494 3.155 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)[NH+](CC)CC ZINC000362137147 157039366 /nfs/dbraw/zinc/03/93/66/157039366.db2.gz ZSVIHRQZJPBBLB-QRQLOZEOSA-N 2 0 333.520 3.223 20 0 EGADRP CC[N@H+](Cc1ccccn1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000093338874 162003500 /nfs/dbraw/zinc/00/35/00/162003500.db2.gz XROMEKRYLWBVBO-UHFFFAOYSA-N 2 0 338.499 3.246 20 0 EGADRP CCOC[C@@H]1CCC[N@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000093419366 162011460 /nfs/dbraw/zinc/01/14/60/162011460.db2.gz ARKLVPCYQKKFAK-LJQANCHMSA-N 2 0 345.531 3.077 20 0 EGADRP OCC[NH+]1CCC(C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180234362 162731523 /nfs/dbraw/zinc/73/15/23/162731523.db2.gz IHPLPAHYZYGPKU-UHFFFAOYSA-N 2 0 338.495 3.112 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(C)CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000248401577 163000558 /nfs/dbraw/zinc/00/05/58/163000558.db2.gz LXGUEJDYJWISKE-YFVAEKQCSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248446725 163007002 /nfs/dbraw/zinc/00/70/02/163007002.db2.gz WUUNRDHWPBJXLD-UONOGXRCSA-N 2 0 330.398 3.023 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000249089731 163055674 /nfs/dbraw/zinc/05/56/74/163055674.db2.gz KDENHHGLPDEEFY-PLACYPQZSA-N 2 0 340.511 3.446 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000354311813 166001195 /nfs/dbraw/zinc/00/11/95/166001195.db2.gz NXJDEKUOGZDKLP-ILZDJORESA-N 2 0 345.531 3.282 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(C)nc2)[C@H](C)C1 ZINC000354334349 166004836 /nfs/dbraw/zinc/00/48/36/166004836.db2.gz MULZMEXSWVBVAG-XLIONFOSSA-N 2 0 333.520 3.049 20 0 EGADRP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)CC(C)C ZINC000338390101 163222012 /nfs/dbraw/zinc/22/20/12/163222012.db2.gz QARBGWMJCMTLNQ-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338541931 163267227 /nfs/dbraw/zinc/26/72/27/163267227.db2.gz YKIQWNZBHSSYKO-GOSISDBHSA-N 2 0 343.515 3.277 20 0 EGADRP CC(C)CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000338693163 163320141 /nfs/dbraw/zinc/32/01/41/163320141.db2.gz LHNIUIWKLMJLTP-IBGZPJMESA-N 2 0 330.520 3.138 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343586248 287003945 /nfs/dbraw/zinc/00/39/45/287003945.db2.gz YYPTXQQMMJBUFK-PKOBYXMFSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000343698556 164015550 /nfs/dbraw/zinc/01/55/50/164015550.db2.gz AZVJBVJDBSRASM-INIZCTEOSA-N 2 0 340.895 3.281 20 0 EGADRP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343940376 164070154 /nfs/dbraw/zinc/07/01/54/164070154.db2.gz SFSKDSYVPDZFHL-INIZCTEOSA-N 2 0 345.462 3.272 20 0 EGADRP C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988182 164077752 /nfs/dbraw/zinc/07/77/52/164077752.db2.gz YQJLXJQJPFYBAN-MGPUTAFESA-N 2 0 346.421 3.252 20 0 EGADRP C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988181 164077841 /nfs/dbraw/zinc/07/78/41/164077841.db2.gz YQJLXJQJPFYBAN-FOIQADDNSA-N 2 0 346.421 3.252 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000344234303 164132997 /nfs/dbraw/zinc/13/29/97/164132997.db2.gz OUURRPDKMQARFW-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[NH+](CC)CC ZINC000345784498 164265564 /nfs/dbraw/zinc/26/55/64/164265564.db2.gz LAQIDDJGIDHXDI-GOSISDBHSA-N 2 0 346.519 3.055 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000356842519 287050758 /nfs/dbraw/zinc/05/07/58/287050758.db2.gz GSDNYURBAIJHQV-IXDOHACOSA-N 2 0 349.494 3.043 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000350157074 165013934 /nfs/dbraw/zinc/01/39/34/165013934.db2.gz RBJAOCJNBKAJGT-GUDVDZBRSA-N 2 0 326.525 3.014 20 0 EGADRP CCN(C[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1)CC(F)(F)F ZINC000351327385 165098246 /nfs/dbraw/zinc/09/82/46/165098246.db2.gz KVJXCJIHUGJDPJ-CVEARBPZSA-N 2 0 335.458 3.067 20 0 EGADRP CC[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+](CC)CC ZINC000354994277 166082540 /nfs/dbraw/zinc/08/25/40/166082540.db2.gz DIICQBTYVIMZHH-IBGZPJMESA-N 2 0 331.504 3.384 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000352045442 165208175 /nfs/dbraw/zinc/20/81/75/165208175.db2.gz PSENBVLHJAZZTN-OREBXVKISA-N 2 0 331.504 3.055 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000352045440 165208607 /nfs/dbraw/zinc/20/86/07/165208607.db2.gz PSENBVLHJAZZTN-CNMWIUBYSA-N 2 0 331.504 3.055 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC000353627065 165834644 /nfs/dbraw/zinc/83/46/44/165834644.db2.gz JSEHQBVPFBUPPO-CQSZACIVSA-N 2 0 338.517 3.182 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000355781251 166307591 /nfs/dbraw/zinc/30/75/91/166307591.db2.gz WGABGNRSOBWTHQ-MJGOQNOKSA-N 2 0 332.488 3.066 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000355807284 166316177 /nfs/dbraw/zinc/31/61/77/166316177.db2.gz GWIDVJZNKZQXSC-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP COc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)cc1OC(F)F ZINC000359209541 167096397 /nfs/dbraw/zinc/09/63/97/167096397.db2.gz CWQBVNNZGVLJIJ-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@H](CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000365792281 168044407 /nfs/dbraw/zinc/04/44/07/168044407.db2.gz BLSXPSSEEUZWJR-SFHLNBCPSA-N 2 0 329.532 3.138 20 0 EGADRP Cn1nccc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000365927812 168060528 /nfs/dbraw/zinc/06/05/28/168060528.db2.gz MGJIPNKIQIIIHK-HLAWJBBLSA-N 2 0 338.499 3.201 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366909666 168155273 /nfs/dbraw/zinc/15/52/73/168155273.db2.gz REJKRUFLZMEVEV-LKUPVBHCSA-N 2 0 342.458 3.359 20 0 EGADRP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367960989 168289733 /nfs/dbraw/zinc/28/97/33/168289733.db2.gz RVZSDVDYSCAXNH-MRXNPFEDSA-N 2 0 343.471 3.323 20 0 EGADRP CC1(C)[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000123220951 222238312 /nfs/dbraw/zinc/23/83/12/222238312.db2.gz WUSCASLFSLCYSL-AABGKKOBSA-N 2 0 330.516 3.395 20 0 EGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000177201785 265239875 /nfs/dbraw/zinc/23/98/75/265239875.db2.gz OXBHEDMFQYFETM-GOSISDBHSA-N 2 0 349.906 3.109 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2csc3ccccc23)CC1 ZINC000185897992 265505774 /nfs/dbraw/zinc/50/57/74/265505774.db2.gz MUEVLJSEYLJZPQ-UHFFFAOYSA-N 2 0 331.529 3.407 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000194260359 266102556 /nfs/dbraw/zinc/10/25/56/266102556.db2.gz DHDXZTPNYPNMEF-WIYYLYMNSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH2+]CC1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000236857155 266217286 /nfs/dbraw/zinc/21/72/86/266217286.db2.gz ZPMVUIPAAFMLNJ-UHFFFAOYSA-N 2 0 338.455 3.287 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2)C1 ZINC000237478106 266235188 /nfs/dbraw/zinc/23/51/88/266235188.db2.gz ZENCNMVIAXRTAE-MRXNPFEDSA-N 2 0 329.488 3.376 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000274650155 267267584 /nfs/dbraw/zinc/26/75/84/267267584.db2.gz SRECGHXLIBXSEY-UTKZUKDTSA-N 2 0 345.506 3.377 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274928851 267308222 /nfs/dbraw/zinc/30/82/22/267308222.db2.gz QNJYOSUNYDPKPG-HQRMLTQVSA-N 2 0 344.524 3.456 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccsc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274951817 267310655 /nfs/dbraw/zinc/31/06/55/267310655.db2.gz VEIJLHYNPMQLLM-VDZJLULYSA-N 2 0 330.497 3.282 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275584405 267385587 /nfs/dbraw/zinc/38/55/87/267385587.db2.gz NWTUXWAYNKJHIC-WOJBJXKFSA-N 2 0 330.516 3.223 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)[C@@H](C)C1 ZINC000277032504 267680025 /nfs/dbraw/zinc/68/00/25/267680025.db2.gz FJVRGAFBXMPUGQ-VRXWPRPYSA-N 2 0 348.506 3.219 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000278413000 268006974 /nfs/dbraw/zinc/00/69/74/268006974.db2.gz HVMOLGAVBWAWOG-QGZVFWFLSA-N 2 0 338.499 3.456 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192054764 275223333 /nfs/dbraw/zinc/22/33/33/275223333.db2.gz FSSYRCQZHHOKQJ-SFHVURJKSA-N 2 0 326.488 3.344 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272354800 275244404 /nfs/dbraw/zinc/24/44/04/275244404.db2.gz PBOYOYIFRMVNRF-FQEVSTJZSA-N 2 0 345.506 3.377 20 0 EGADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000282557218 275647246 /nfs/dbraw/zinc/64/72/46/275647246.db2.gz DDDUSXAQNVBDRI-MRXNPFEDSA-N 2 0 349.950 3.419 20 0 EGADRP Brc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)nc1 ZINC000339496357 275712308 /nfs/dbraw/zinc/71/23/08/275712308.db2.gz BAMUZPBMKXYJLZ-UHFFFAOYSA-N 2 0 326.282 3.200 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000263331177 275745570 /nfs/dbraw/zinc/74/55/70/275745570.db2.gz MCEMVGNQBDUJEE-OALUTQOASA-N 2 0 325.456 3.016 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c(C)c1OC ZINC000286275190 275974257 /nfs/dbraw/zinc/97/42/57/275974257.db2.gz VNTMTAYMHZGIOF-HNNXBMFYSA-N 2 0 334.504 3.265 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000354362492 276024754 /nfs/dbraw/zinc/02/47/54/276024754.db2.gz WTBJRZCMKVSHEB-VQTJNVASSA-N 2 0 345.531 3.276 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000343576494 276095589 /nfs/dbraw/zinc/09/55/89/276095589.db2.gz HTIJXQCGQKCHJA-QGZVFWFLSA-N 2 0 343.515 3.018 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000340598744 276095606 /nfs/dbraw/zinc/09/56/06/276095606.db2.gz ALJLAZYBRNNJFU-ZHALLVOQSA-N 2 0 337.552 3.124 20 0 EGADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CCO1 ZINC000287691643 276147965 /nfs/dbraw/zinc/14/79/65/276147965.db2.gz NDWIGXBNWIDSNH-DLBZAZTESA-N 2 0 342.405 3.134 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000155681493 276197170 /nfs/dbraw/zinc/19/71/70/276197170.db2.gz NZUACQRBMUJEEO-HKUYNNGSSA-N 2 0 343.515 3.049 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000356046091 276286367 /nfs/dbraw/zinc/28/63/67/276286367.db2.gz SBOORKNYWSAIFV-UXHICEINSA-N 2 0 345.531 3.276 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000355412754 276328536 /nfs/dbraw/zinc/32/85/36/276328536.db2.gz SHHJXLZPZODIHL-IRXDYDNUSA-N 2 0 347.503 3.219 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(OC2CCCC2)c1 ZINC000289567747 276359155 /nfs/dbraw/zinc/35/91/55/276359155.db2.gz ZKFFQSNDJFJCHD-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000356674023 277034450 /nfs/dbraw/zinc/03/44/50/277034450.db2.gz JMBVPKHOJPQVAE-QZTJIDSGSA-N 2 0 345.531 3.280 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)CC[NH+](C)CC1 ZINC000353192549 278125883 /nfs/dbraw/zinc/12/58/83/278125883.db2.gz MHQXSKPNAOJGPF-IEBWSBKVSA-N 2 0 347.572 3.239 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)CN1CC[NH+](C)CC1 ZINC000123160174 278285973 /nfs/dbraw/zinc/28/59/73/278285973.db2.gz KGNPBEYNOTZHDH-DFQSSKMNSA-N 2 0 329.532 3.042 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)c1ccccc1 ZINC000132776462 278335696 /nfs/dbraw/zinc/33/56/96/278335696.db2.gz AHEZYHURXLBKKV-MSOLQXFVSA-N 2 0 330.516 3.443 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357871144 279090526 /nfs/dbraw/zinc/09/05/26/279090526.db2.gz NLFSOFPGJUDRTA-HDICACEKSA-N 2 0 345.531 3.123 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)CC)c1 ZINC000079307374 279137796 /nfs/dbraw/zinc/13/77/96/279137796.db2.gz WIVDCENAEIRLDE-INIZCTEOSA-N 2 0 333.520 3.311 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000345689585 279158859 /nfs/dbraw/zinc/15/88/59/279158859.db2.gz JHXIXWVHBJXNRI-UXHICEINSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342424506 279378839 /nfs/dbraw/zinc/37/88/39/279378839.db2.gz WHNVWIMQEPWTEX-OAHLLOKOSA-N 2 0 347.890 3.396 20 0 EGADRP COc1cccc([C@H](CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)[NH+](C)C)c1 ZINC000261753485 295325795 /nfs/dbraw/zinc/32/57/95/295325795.db2.gz UZGZVEGWHFKWRF-HQRMLTQVSA-N 2 0 333.520 3.198 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000073308012 307385229 /nfs/dbraw/zinc/38/52/29/307385229.db2.gz WRZLHFARTOJUOV-UHFFFAOYSA-N 2 0 345.531 3.217 20 0 EGADRP C[C@H]1OCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000121099183 307515289 /nfs/dbraw/zinc/51/52/89/307515289.db2.gz VNMRGUVAPDSATP-NQIIRXRSSA-N 2 0 330.516 3.488 20 0 EGADRP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121985091 307525535 /nfs/dbraw/zinc/52/55/35/307525535.db2.gz CMNILIHKNKAELY-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000124651823 307550119 /nfs/dbraw/zinc/55/01/19/307550119.db2.gz PYFKCQBKQNSSEL-MJGOQNOKSA-N 2 0 349.563 3.457 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000130536354 307630293 /nfs/dbraw/zinc/63/02/93/307630293.db2.gz GVMSCQFDKYFMLJ-LJQANCHMSA-N 2 0 330.520 3.282 20 0 EGADRP CC(C)C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[NH+](C)C ZINC000131859806 307650583 /nfs/dbraw/zinc/65/05/83/307650583.db2.gz GICYLCRZNRQBOX-OAQYLSRUSA-N 2 0 349.538 3.399 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000414179530 309065103 /nfs/dbraw/zinc/06/51/03/309065103.db2.gz KTCZBOCLAVLPFV-DJABAAGCSA-N 2 0 334.479 3.408 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000414191484 309065961 /nfs/dbraw/zinc/06/59/61/309065961.db2.gz SOCGJOKQQVKRBM-MJGOQNOKSA-N 2 0 326.488 3.314 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C12CCC2 ZINC000414198744 309066325 /nfs/dbraw/zinc/06/63/25/309066325.db2.gz WJOYCKXXSXIWTN-AYOQOUSVSA-N 2 0 332.488 3.235 20 0 EGADRP Cc1noc(C)c1CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000166297832 307930962 /nfs/dbraw/zinc/93/09/62/307930962.db2.gz UQBKTDYBRZEGRN-HOTGVXAUSA-N 2 0 349.519 3.045 20 0 EGADRP C[C@@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248540444 308005304 /nfs/dbraw/zinc/00/53/04/308005304.db2.gz BDCPHUGGDOMAGZ-XSYGEPLQSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250638187 308029859 /nfs/dbraw/zinc/02/98/59/308029859.db2.gz SMZDRZJDVFCHOO-DYVFJYSZSA-N 2 0 337.305 3.238 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1 ZINC000414448998 309080900 /nfs/dbraw/zinc/08/09/00/309080900.db2.gz AWQFHFBSTVCEER-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCN(CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056671 308094943 /nfs/dbraw/zinc/09/49/43/308094943.db2.gz UMWLAXOQMFQTSU-NRFANRHFSA-N 2 0 337.467 3.196 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCCC4)cn2)CC1 ZINC000293219527 308110747 /nfs/dbraw/zinc/11/07/47/308110747.db2.gz AHDXACMUZWXPOH-SFHVURJKSA-N 2 0 328.504 3.036 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000293566184 308142528 /nfs/dbraw/zinc/14/25/28/308142528.db2.gz XTPROPQKUFASHD-FTRWYGJKSA-N 2 0 332.463 3.367 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293755433 308158968 /nfs/dbraw/zinc/15/89/68/308158968.db2.gz QSADBAQOOGGQFX-OIISXLGYSA-N 2 0 328.435 3.289 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)C2CC[NH+](C)CC2)[NH+](CC)CC)cc1 ZINC000294604150 308237052 /nfs/dbraw/zinc/23/70/52/308237052.db2.gz NLMPOPUEIFTESY-HXUWFJFHSA-N 2 0 345.531 3.090 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000294692777 308246388 /nfs/dbraw/zinc/24/63/88/308246388.db2.gz ATNDFHMJIAJYPZ-GBESFXJTSA-N 2 0 341.524 3.494 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000294927582 308272497 /nfs/dbraw/zinc/27/24/97/308272497.db2.gz AZWGZDDRQIDQAV-MRXNPFEDSA-N 2 0 331.504 3.065 20 0 EGADRP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000294937818 308273730 /nfs/dbraw/zinc/27/37/30/308273730.db2.gz BZIVCNWGSSOQGW-RLLQIKCJSA-N 2 0 345.531 3.132 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000294949909 308275191 /nfs/dbraw/zinc/27/51/91/308275191.db2.gz CCTGSSZIGBUKDW-HXUWFJFHSA-N 2 0 343.515 3.109 20 0 EGADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295108114 308292154 /nfs/dbraw/zinc/29/21/54/308292154.db2.gz LHICVOMVXPFGFD-RHSMWYFYSA-N 2 0 344.421 3.073 20 0 EGADRP [NH3+]C1(c2noc(-c3ccccc3CC3CC[NH2+]CC3)n2)CCCC1 ZINC000414627984 309092558 /nfs/dbraw/zinc/09/25/58/309092558.db2.gz MYTNSOOBZHDANA-UHFFFAOYSA-N 2 0 326.444 3.007 20 0 EGADRP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414700383 309096090 /nfs/dbraw/zinc/09/60/90/309096090.db2.gz GGZHAHRQICUXBR-QUCCMNQESA-N 2 0 343.515 3.028 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000414712732 309096766 /nfs/dbraw/zinc/09/67/66/309096766.db2.gz ODKLGCAGWJECKB-MRXNPFEDSA-N 2 0 344.503 3.264 20 0 EGADRP C[C@H](c1ccccc1Cl)[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414675274 309095002 /nfs/dbraw/zinc/09/50/02/309095002.db2.gz LUPIUXZDRIVIRO-HUUCEWRRSA-N 2 0 349.906 3.063 20 0 EGADRP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414686142 309095304 /nfs/dbraw/zinc/09/53/04/309095304.db2.gz FLDZETXCDHINTA-POAQFYNOSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000414719116 309097329 /nfs/dbraw/zinc/09/73/29/309097329.db2.gz XIWCFZBFXYBAGD-VXGBXAGGSA-N 2 0 341.268 3.334 20 0 EGADRP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763272 309099280 /nfs/dbraw/zinc/09/92/80/309099280.db2.gz BQFHZSBMDIPUDC-TXEJJXNPSA-N 2 0 329.271 3.433 20 0 EGADRP c1sc(COc2ccccc2)nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770923 309099769 /nfs/dbraw/zinc/09/97/69/309099769.db2.gz PVRQCMMSELNOLR-IYBDPMFKSA-N 2 0 343.496 3.154 20 0 EGADRP [NH3+]C[C@H]1CN(Cc2csc(-c3cccs3)n2)CC12CCOCC2 ZINC000414790017 309101518 /nfs/dbraw/zinc/10/15/18/309101518.db2.gz ZGEFWAAZDLGNDR-ZDUSSCGKSA-N 2 0 349.525 3.059 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(Cl)c1 ZINC000414807788 309102789 /nfs/dbraw/zinc/10/27/89/309102789.db2.gz RNTJJGZUBKQDGC-OFQRWUPVSA-N 2 0 337.895 3.473 20 0 EGADRP Fc1cccc(COc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000414836194 309104668 /nfs/dbraw/zinc/10/46/68/309104668.db2.gz UMQNYWDJHHIONE-GOSISDBHSA-N 2 0 328.431 3.494 20 0 EGADRP [NH3+]C1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCCCC1 ZINC000414843473 309105039 /nfs/dbraw/zinc/10/50/39/309105039.db2.gz OGVPURBPPSEIFI-UHFFFAOYSA-N 2 0 349.906 3.196 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414846388 309105103 /nfs/dbraw/zinc/10/51/03/309105103.db2.gz FEKHWJKRLZBXRI-KKUMJFAQSA-N 2 0 337.895 3.343 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCCC2 ZINC000344098344 308882023 /nfs/dbraw/zinc/88/20/23/308882023.db2.gz JQXWQLTWWCKPKI-PMACEKPBSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414856618 309105992 /nfs/dbraw/zinc/10/59/92/309105992.db2.gz OQCCXPDQLWZSNQ-LPHOPBHVSA-N 2 0 325.456 3.138 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414902921 309108410 /nfs/dbraw/zinc/10/84/10/309108410.db2.gz YWRLSABHKSKWGJ-AWEZNQCLSA-N 2 0 326.469 3.428 20 0 EGADRP C[C@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCC[NH2+]C1 ZINC000414908027 309108603 /nfs/dbraw/zinc/10/86/03/309108603.db2.gz NKZXDHDGWJCZJZ-HNNXBMFYSA-N 2 0 334.357 3.246 20 0 EGADRP FC(F)Oc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Br ZINC000414912449 309108889 /nfs/dbraw/zinc/10/88/89/309108889.db2.gz YDBCYIURDRDRRB-LLVKDONJSA-N 2 0 349.219 3.282 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946695 309110786 /nfs/dbraw/zinc/11/07/86/309110786.db2.gz JUQUQHBYBVJDBS-NQBHXWOUSA-N 2 0 329.257 3.249 20 0 EGADRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000414974953 309112413 /nfs/dbraw/zinc/11/24/13/309112413.db2.gz NZPORVSXYQDHML-CQSZACIVSA-N 2 0 346.393 3.258 20 0 EGADRP COc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414991164 309113096 /nfs/dbraw/zinc/11/30/96/309113096.db2.gz ANFMDDNAKRSZPH-DGCLKSJQSA-N 2 0 327.266 3.065 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000414996678 309113259 /nfs/dbraw/zinc/11/32/59/309113259.db2.gz GQRZWYHFWBZHDI-APWZRJJASA-N 2 0 325.456 3.268 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000414999600 309113477 /nfs/dbraw/zinc/11/34/77/309113477.db2.gz JKBXRSRQWFAGBT-YPMHNXCESA-N 2 0 334.357 3.374 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000415009517 309114152 /nfs/dbraw/zinc/11/41/52/309114152.db2.gz UELZDALNERNUBL-WMZOPIPTSA-N 2 0 335.923 3.412 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000415017675 309114570 /nfs/dbraw/zinc/11/45/70/309114570.db2.gz FRSQLZOIXAMAED-MRXNPFEDSA-N 2 0 326.488 3.442 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000415019343 309114729 /nfs/dbraw/zinc/11/47/29/309114729.db2.gz ICHVSWJPOBRZIJ-SECBINFHSA-N 2 0 337.208 3.268 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000415021239 309114833 /nfs/dbraw/zinc/11/48/33/309114833.db2.gz KGTNSJOFEIXEQX-NEPJUHHUSA-N 2 0 347.381 3.019 20 0 EGADRP CCOc1c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(C)nn1CC(C)C ZINC000415025230 309115032 /nfs/dbraw/zinc/11/50/32/309115032.db2.gz PIHMZVMQCUJFBA-QAQDUYKDSA-N 2 0 336.524 3.101 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415034967 309115630 /nfs/dbraw/zinc/11/56/30/309115630.db2.gz INTLRROYPWKNMD-LSDHHAIUSA-N 2 0 331.287 3.283 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415041051 309116081 /nfs/dbraw/zinc/11/60/81/309116081.db2.gz PMMHLTVTCIOWJK-FRRDWIJNSA-N 2 0 343.393 3.140 20 0 EGADRP COc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058652 309117345 /nfs/dbraw/zinc/11/73/45/309117345.db2.gz VWWUEPDCHFOMCO-UKRRQHHQSA-N 2 0 338.879 3.321 20 0 EGADRP COc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058649 309117349 /nfs/dbraw/zinc/11/73/49/309117349.db2.gz VWWUEPDCHFOMCO-HIFRSBDPSA-N 2 0 338.879 3.321 20 0 EGADRP COc1cc(Br)c(C[NH2+][C@@H](C)CCCC[NH3+])cc1OC ZINC000415065920 309118000 /nfs/dbraw/zinc/11/80/00/309118000.db2.gz SQLGGGYYJHHZPL-NSHDSACASA-N 2 0 345.281 3.073 20 0 EGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000415076111 309118486 /nfs/dbraw/zinc/11/84/86/309118486.db2.gz CKMPNPOPCITMQM-FQEVSTJZSA-N 2 0 328.431 3.460 20 0 EGADRP c1c(C[NH2+]CC2CC[NH2+]CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000415076908 309118709 /nfs/dbraw/zinc/11/87/09/309118709.db2.gz GYFNMCQDFVGYFL-UHFFFAOYSA-N 2 0 347.466 3.024 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415084823 309119132 /nfs/dbraw/zinc/11/91/32/309119132.db2.gz PYRZUNCCEVXTFT-ILZDJORESA-N 2 0 332.488 3.044 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415084821 309119170 /nfs/dbraw/zinc/11/91/70/309119170.db2.gz PYRZUNCCEVXTFT-HQRMLTQVSA-N 2 0 332.488 3.044 20 0 EGADRP COc1ccc(C2(C[NH2+]CC3CC[NH2+]CC3)CCCCC2)cc1OC ZINC000415095428 309120038 /nfs/dbraw/zinc/12/00/38/309120038.db2.gz ZMURYUCMWJBXHK-UHFFFAOYSA-N 2 0 346.515 3.495 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415111051 309121014 /nfs/dbraw/zinc/12/10/14/309121014.db2.gz BODMJGWROODXBL-FXAWDEMLSA-N 2 0 326.488 3.332 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415115262 309121202 /nfs/dbraw/zinc/12/12/02/309121202.db2.gz GTZMEHZOBLUVJN-BFHYXJOUSA-N 2 0 325.294 3.358 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415123537 309121813 /nfs/dbraw/zinc/12/18/13/309121813.db2.gz LDWJHOFNLZELHF-UYAOXDASSA-N 2 0 332.488 3.192 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000415122019 309121847 /nfs/dbraw/zinc/12/18/47/309121847.db2.gz HYFWOJWGNHMUOZ-LPHOPBHVSA-N 2 0 325.456 3.077 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415134899 309123016 /nfs/dbraw/zinc/12/30/16/309123016.db2.gz WHOPEJJGLLDWGS-WOJBJXKFSA-N 2 0 332.488 3.192 20 0 EGADRP NC1(C[NH2+]Cc2ccc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139957 309123348 /nfs/dbraw/zinc/12/33/48/309123348.db2.gz YDTMHTCVEJPJGG-UHFFFAOYSA-N 2 0 349.931 3.485 20 0 EGADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415796956 309144109 /nfs/dbraw/zinc/14/41/09/309144109.db2.gz YXRLPGPLXHWTHL-HKUYNNGSSA-N 2 0 332.492 3.121 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000415959732 309151377 /nfs/dbraw/zinc/15/13/77/309151377.db2.gz PMDONKPECGAFNQ-DNVCBOLYSA-N 2 0 340.471 3.267 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000415968556 309151750 /nfs/dbraw/zinc/15/17/50/309151750.db2.gz CIEFDHKEQCHSQP-UHFFFAOYSA-N 2 0 344.503 3.265 20 0 EGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccco1 ZINC000415985784 309152876 /nfs/dbraw/zinc/15/28/76/309152876.db2.gz UBNYMXDPCQKAEH-PBHICJAKSA-N 2 0 344.459 3.250 20 0 EGADRP CC1CCC([NH+]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC000415996500 309153635 /nfs/dbraw/zinc/15/36/35/309153635.db2.gz MXCWFTBRLSWWNH-UHFFFAOYSA-N 2 0 342.487 3.018 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416211242 309164063 /nfs/dbraw/zinc/16/40/63/309164063.db2.gz ANTRAZIBZBZSCO-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417870948 309226059 /nfs/dbraw/zinc/22/60/59/309226059.db2.gz MFPLUCCSUFITTO-ROUUACIJSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418047716 309233104 /nfs/dbraw/zinc/23/31/04/309233104.db2.gz QPCPIYUPKPBAHH-MJGOQNOKSA-N 2 0 346.519 3.030 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420303460 309280600 /nfs/dbraw/zinc/28/06/00/309280600.db2.gz KJTPMAODQYFQGU-HNNXBMFYSA-N 2 0 330.451 3.080 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000420305963 309280724 /nfs/dbraw/zinc/28/07/24/309280724.db2.gz QENOCOMUIHXTJX-SIRBJWHBSA-N 2 0 349.563 3.170 20 0 EGADRP c1csc(C[N@@H+](CCCc2ccncc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420312691 309281233 /nfs/dbraw/zinc/28/12/33/309281233.db2.gz OTLGGYNQYJKSHG-QGZVFWFLSA-N 2 0 342.512 3.115 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000420312390 309281255 /nfs/dbraw/zinc/28/12/55/309281255.db2.gz WWWXTVFDEIKANE-FSSWDIPSSA-N 2 0 338.495 3.187 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420322008 309282215 /nfs/dbraw/zinc/28/22/15/309282215.db2.gz DPRRSRKGNYAGHI-XHSDSOJGSA-N 2 0 347.528 3.057 20 0 EGADRP CSc1ccccc1NC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333876 309282740 /nfs/dbraw/zinc/28/27/40/309282740.db2.gz FXXPIRMLSOLEPG-MRXNPFEDSA-N 2 0 347.528 3.201 20 0 EGADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341411 309283283 /nfs/dbraw/zinc/28/32/83/309283283.db2.gz OEBKLPIFZYVKNJ-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP FC(F)Oc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364561 309284264 /nfs/dbraw/zinc/28/42/64/309284264.db2.gz RERPUTPVWVFDPP-YOEHRIQHSA-N 2 0 340.414 3.051 20 0 EGADRP FC(F)Oc1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364552 309284277 /nfs/dbraw/zinc/28/42/77/309284277.db2.gz RERPUTPVWVFDPP-PBHICJAKSA-N 2 0 340.414 3.051 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420370267 309284895 /nfs/dbraw/zinc/28/48/95/309284895.db2.gz CLXFESKRDKUDPO-PZJWPPBQSA-N 2 0 346.515 3.291 20 0 EGADRP CC(C)(C)[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1 ZINC000420382126 309285444 /nfs/dbraw/zinc/28/54/44/309285444.db2.gz YIALYHFVOIBXOL-SLFFLAALSA-N 2 0 344.474 3.433 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420386916 309285776 /nfs/dbraw/zinc/28/57/76/309285776.db2.gz VGCFDUJYDWZHRL-LEWJYISDSA-N 2 0 346.515 3.291 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000420396343 309286276 /nfs/dbraw/zinc/28/62/76/309286276.db2.gz VSWBZKCSMXCWDQ-HOJAQTOUSA-N 2 0 332.463 3.421 20 0 EGADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000420397365 309286328 /nfs/dbraw/zinc/28/63/28/309286328.db2.gz FZSOBAATQZGLIL-NVXWUHKLSA-N 2 0 325.456 3.085 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000420978596 309305693 /nfs/dbraw/zinc/30/56/93/309305693.db2.gz JEJNBYGIQYXIBG-QGZVFWFLSA-N 2 0 333.495 3.379 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C/c3ccccc3)CC2)CC1 ZINC000421004023 309307241 /nfs/dbraw/zinc/30/72/41/309307241.db2.gz HQUGIMPUGUBUIQ-UXBLZVDNSA-N 2 0 327.516 3.192 20 0 EGADRP OC1(CCC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421374049 309321426 /nfs/dbraw/zinc/32/14/26/309321426.db2.gz NBDDSURFNPWXHJ-SLFFLAALSA-N 2 0 328.500 3.182 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCc3cccc(C)c3)CC2)CC1 ZINC000421374586 309321464 /nfs/dbraw/zinc/32/14/64/309321464.db2.gz NZRDCJWDAGTPQG-UHFFFAOYSA-N 2 0 329.532 3.030 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000421684145 309334451 /nfs/dbraw/zinc/33/44/51/309334451.db2.gz IRBPHEGSGWWKQS-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421820715 309341515 /nfs/dbraw/zinc/34/15/15/309341515.db2.gz NLRDJFCEYWFUQT-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000421829026 309341963 /nfs/dbraw/zinc/34/19/63/309341963.db2.gz GMNCZZBKQNTBKX-CQSZACIVSA-N 2 0 341.902 3.026 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000421831789 309342354 /nfs/dbraw/zinc/34/23/54/309342354.db2.gz LZDTWDXONXYUKF-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP CC[C@@H](C(=O)NCc1cc(C)nc(C)c1)[N@H+](C)Cc1ccccc1 ZINC000421903735 309345792 /nfs/dbraw/zinc/34/57/92/309345792.db2.gz CCTJQYJOQXXORL-IBGZPJMESA-N 2 0 325.456 3.225 20 0 EGADRP COCc1cccc(OCC2(C[NH+]3CCC4(CC[NH2+]4)CC3)CCC2)c1 ZINC000422625438 309362712 /nfs/dbraw/zinc/36/27/12/309362712.db2.gz BPDCMDANJIYAFC-UHFFFAOYSA-N 2 0 344.499 3.210 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422694048 309363385 /nfs/dbraw/zinc/36/33/85/309363385.db2.gz NHEDKRUZUYMERC-APWZRJJASA-N 2 0 341.455 3.490 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422702952 309363910 /nfs/dbraw/zinc/36/39/10/309363910.db2.gz LWQCKMQVPYEUNO-QHAWAJNXSA-N 2 0 341.543 3.334 20 0 EGADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)OCCCO2 ZINC000422709082 309363997 /nfs/dbraw/zinc/36/39/97/309363997.db2.gz YQGFOGILMJMFNC-RCCFBDPRSA-N 2 0 330.472 3.248 20 0 EGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2sccc2C1 ZINC000422714591 309364323 /nfs/dbraw/zinc/36/43/23/309364323.db2.gz LEMDTRSFBKFLRH-JTDSTZFVSA-N 2 0 343.540 3.043 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000422722370 309364793 /nfs/dbraw/zinc/36/47/93/309364793.db2.gz XNLGSBIDZJFNQA-KGLIPLIRSA-N 2 0 344.528 3.008 20 0 EGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000422720429 309364797 /nfs/dbraw/zinc/36/47/97/309364797.db2.gz MLPLVZBMIMFDMH-KGLIPLIRSA-N 2 0 345.443 3.107 20 0 EGADRP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422744366 309366188 /nfs/dbraw/zinc/36/61/88/309366188.db2.gz VXNBITYPWWQCNM-KBRIMQKVSA-N 2 0 343.298 3.283 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@@H](C)C1 ZINC000422746373 309366274 /nfs/dbraw/zinc/36/62/74/309366274.db2.gz NTSRSXDQFNSSIK-YRPNKDGESA-N 2 0 339.568 3.024 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422758772 309366941 /nfs/dbraw/zinc/36/69/41/309366941.db2.gz KRNOYFPOTXZGSS-YJBOKZPZSA-N 2 0 336.907 3.366 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422763266 309367109 /nfs/dbraw/zinc/36/71/09/309367109.db2.gz ORKKTNSXTZBERE-WBMJQRKESA-N 2 0 343.284 3.499 20 0 EGADRP COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCCC2)cc1 ZINC000422768454 309367251 /nfs/dbraw/zinc/36/72/51/309367251.db2.gz TUBIGOZXSYTDFF-VHRCFOOQSA-N 2 0 343.515 3.095 20 0 EGADRP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])c2ccc(OC)cc2)cc1 ZINC000422774322 309367687 /nfs/dbraw/zinc/36/76/87/309367687.db2.gz WQHZPKRFPMTUSK-HBMCJLEFSA-N 2 0 340.467 3.457 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422782620 309368016 /nfs/dbraw/zinc/36/80/16/309368016.db2.gz JWEBMVXILXYXOS-FUHWJXTLSA-N 2 0 332.488 3.295 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422782069 309368096 /nfs/dbraw/zinc/36/80/96/309368096.db2.gz MQNDEZCZYIKSRC-GUDVDZBRSA-N 2 0 332.488 3.147 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784730 309368108 /nfs/dbraw/zinc/36/81/08/309368108.db2.gz JBEMXDJFSGBLLY-VQIMIIECSA-N 2 0 344.478 3.454 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422787285 309368273 /nfs/dbraw/zinc/36/82/73/309368273.db2.gz UNBONDRTCOUGGQ-LNSITVRQSA-N 2 0 347.286 3.104 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422788505 309368317 /nfs/dbraw/zinc/36/83/17/309368317.db2.gz AVFNAENFCRSIFZ-YZGWKJHDSA-N 2 0 333.520 3.185 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422789535 309368328 /nfs/dbraw/zinc/36/83/28/309368328.db2.gz UATOISHLZLRTGX-XJKSGUPXSA-N 2 0 337.305 3.458 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000422819809 309370066 /nfs/dbraw/zinc/37/00/66/309370066.db2.gz IXDHLAXPMPAVMR-OKZBNKHCSA-N 2 0 336.907 3.364 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422818468 309370127 /nfs/dbraw/zinc/37/01/27/309370127.db2.gz GHUWXUKBJFIDHQ-HZUKXOBISA-N 2 0 331.287 3.268 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422824761 309370426 /nfs/dbraw/zinc/37/04/26/309370426.db2.gz OIAJOMMTHIDRDV-BBRMVZONSA-N 2 0 330.394 3.243 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422830411 309370661 /nfs/dbraw/zinc/37/06/61/309370661.db2.gz QZPMMBLVBBHIAH-SLFFLAALSA-N 3 0 347.572 3.470 20 0 EGADRP C[C@H](CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422829021 309370744 /nfs/dbraw/zinc/37/07/44/309370744.db2.gz UHUMJMXSGQEBKU-XQBPLPMBSA-N 2 0 339.527 3.445 20 0 EGADRP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832764 309370969 /nfs/dbraw/zinc/37/09/69/309370969.db2.gz FYBLMLSKEPWGLR-RSPOEFSDSA-N 2 0 347.572 3.470 20 0 EGADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422838837 309371039 /nfs/dbraw/zinc/37/10/39/309371039.db2.gz YGMXSRQNHHVDNP-CWJKEVGVSA-N 2 0 327.516 3.413 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000422835763 309371181 /nfs/dbraw/zinc/37/11/81/309371181.db2.gz JAJYDQWKUSEBDB-XGARDCMYSA-N 2 0 338.495 3.355 20 0 EGADRP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422843430 309371468 /nfs/dbraw/zinc/37/14/68/309371468.db2.gz IFVAEAKBGDZWRQ-XUVXKRRUSA-N 2 0 330.516 3.273 20 0 EGADRP [NH3+][C@@H]1C[C@H](NCC2([NH+]3CCSCC3)CCCC2)c2ccccc21 ZINC000422844280 309371665 /nfs/dbraw/zinc/37/16/65/309371665.db2.gz LJYHKXMQJSMEPZ-MSOLQXFVSA-N 2 0 331.529 3.082 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422845366 309371701 /nfs/dbraw/zinc/37/17/01/309371701.db2.gz BREBRSHEEGKOOQ-YSSFQJQWSA-N 2 0 332.488 3.240 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000422843946 309371745 /nfs/dbraw/zinc/37/17/45/309371745.db2.gz KEKRLSQUPWBFLO-OXQOHEQNSA-N 2 0 332.536 3.256 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422850779 309371892 /nfs/dbraw/zinc/37/18/92/309371892.db2.gz DRIXJUUJLUSOMO-QUCCMNQESA-N 2 0 345.531 3.232 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cc2c(OC)c1 ZINC000422870275 309372877 /nfs/dbraw/zinc/37/28/77/309372877.db2.gz XKVOOIQGOHAOJN-RDTXWAMCSA-N 2 0 345.487 3.225 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000422867457 309372938 /nfs/dbraw/zinc/37/29/38/309372938.db2.gz SHUZPEFCSVNAGQ-DZGCQCFKSA-N 2 0 330.394 3.414 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422876342 309373520 /nfs/dbraw/zinc/37/35/20/309373520.db2.gz GEZWITXVVGYZJU-ZLGUVYLKSA-N 2 0 340.467 3.108 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422880577 309373613 /nfs/dbraw/zinc/37/36/13/309373613.db2.gz OMGVIIJNMOFXRP-YXJHDRRASA-N 2 0 335.923 3.452 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422885990 309373986 /nfs/dbraw/zinc/37/39/86/309373986.db2.gz ZVYWGMNTXUBWEY-MANSERQUSA-N 2 0 331.504 3.235 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422885991 309374028 /nfs/dbraw/zinc/37/40/28/309374028.db2.gz ZVYWGMNTXUBWEY-MKXGPGLRSA-N 2 0 331.504 3.235 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422899311 309375056 /nfs/dbraw/zinc/37/50/56/309375056.db2.gz HDGMUFNVXPNVJM-KSSFIOAISA-N 2 0 329.419 3.491 20 0 EGADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422908136 309375628 /nfs/dbraw/zinc/37/56/28/309375628.db2.gz YGANMYJZNADZHN-BRWVUGGUSA-N 2 0 332.419 3.127 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422926646 309376428 /nfs/dbraw/zinc/37/64/28/309376428.db2.gz XFSRKEIVNNUDPP-CPLUKWAASA-N 2 0 331.504 3.225 20 0 EGADRP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422930579 309376689 /nfs/dbraw/zinc/37/66/89/309376689.db2.gz VCRXAHNAFQXGPL-VAMGGRTRSA-N 2 0 346.515 3.110 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422956764 309378116 /nfs/dbraw/zinc/37/81/16/309378116.db2.gz LXBUCIZVVSGZRN-HKUYNNGSSA-N 2 0 343.515 3.256 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957688 309378329 /nfs/dbraw/zinc/37/83/29/309378329.db2.gz UVUSPDHNAWDQKL-HOTGVXAUSA-N 2 0 330.501 3.387 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422958880 309378348 /nfs/dbraw/zinc/37/83/48/309378348.db2.gz ZFRHUZBDWJUCEH-PBHICJAKSA-N 2 0 329.513 3.113 20 0 EGADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCCC2)c1 ZINC000422967423 309378728 /nfs/dbraw/zinc/37/87/28/309378728.db2.gz TUJBJZNBANXCES-OKYOBFRVSA-N 2 0 331.504 3.317 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422982344 309379427 /nfs/dbraw/zinc/37/94/27/309379427.db2.gz QQKDIRJSRMVQHC-LSDHHAIUSA-N 2 0 334.851 3.182 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000423013143 309381023 /nfs/dbraw/zinc/38/10/23/309381023.db2.gz MEGJXKOAYHCDAT-QHAWAJNXSA-N 2 0 338.499 3.488 20 0 EGADRP COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423019236 309381214 /nfs/dbraw/zinc/38/12/14/309381214.db2.gz UUKVWADFMSIDTN-WAWZGNHOSA-N 2 0 343.471 3.284 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000423042953 309382651 /nfs/dbraw/zinc/38/26/51/309382651.db2.gz MRSBIHJZXIQZIF-WXRRBKDZSA-N 2 0 328.287 3.432 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066853 309384039 /nfs/dbraw/zinc/38/40/39/309384039.db2.gz FNZAZUIVHOMFSQ-FZMZJTMJSA-N 2 0 344.286 3.206 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC(c2ccccc2)C1 ZINC000423079430 309384851 /nfs/dbraw/zinc/38/48/51/309384851.db2.gz AARHAZQDPRQZNJ-SONFCDGGSA-N 2 0 328.500 3.053 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423090654 309385365 /nfs/dbraw/zinc/38/53/65/309385365.db2.gz YAEGEHCIRSQBMX-KXBFYZLASA-N 2 0 326.488 3.214 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423090651 309385441 /nfs/dbraw/zinc/38/54/41/309385441.db2.gz YAEGEHCIRSQBMX-BEFAXECRSA-N 2 0 326.488 3.214 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423091605 309385500 /nfs/dbraw/zinc/38/55/00/309385500.db2.gz XXNYXLDYXYPEAN-MPWLDHFDSA-N 2 0 338.495 3.091 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093260 309385549 /nfs/dbraw/zinc/38/55/49/309385549.db2.gz GUNASGAFVNVGRP-ZBFHGGJFSA-N 2 0 330.394 3.277 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423097919 309385900 /nfs/dbraw/zinc/38/59/00/309385900.db2.gz BRMXVRHUZDWUSU-IEBWSBKVSA-N 2 0 325.456 3.268 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423119440 309386823 /nfs/dbraw/zinc/38/68/23/309386823.db2.gz CJCOALMUDBPFLT-XUVXKRRUSA-N 2 0 342.531 3.391 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423119438 309386854 /nfs/dbraw/zinc/38/68/54/309386854.db2.gz CJCOALMUDBPFLT-SLFFLAALSA-N 2 0 342.531 3.391 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423124613 309387132 /nfs/dbraw/zinc/38/71/32/309387132.db2.gz OVTJGHRQCCTMLG-RISCZKNCSA-N 2 0 336.277 3.190 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423125900 309387157 /nfs/dbraw/zinc/38/71/57/309387157.db2.gz IKFHDJHOUTXZGA-APWZRJJASA-N 2 0 344.499 3.091 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423129884 309387433 /nfs/dbraw/zinc/38/74/33/309387433.db2.gz FYBQFJNAWMEVHE-KPFFTGBYSA-N 2 0 344.499 3.091 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3sccc3c2)CC[NH2+]CC1 ZINC000423128629 309387500 /nfs/dbraw/zinc/38/75/00/309387500.db2.gz VYFBCGQCNZZPNB-AWEZNQCLSA-N 2 0 346.496 3.312 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423134215 309387557 /nfs/dbraw/zinc/38/75/57/309387557.db2.gz DRFAEIRYUPDLPZ-HLAWJBBLSA-N 3 0 329.532 3.266 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)c2ccccc21 ZINC000423136077 309387795 /nfs/dbraw/zinc/38/77/95/309387795.db2.gz GPKLXJVKQPJILV-ZMYBRWDISA-N 2 0 325.431 3.386 20 0 EGADRP FC(F)(F)C1CC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423136395 309387894 /nfs/dbraw/zinc/38/78/94/309387894.db2.gz YWVNKAQWXCXQFI-KAASVAGXSA-N 2 0 326.362 3.173 20 0 EGADRP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CCO2)ccn1 ZINC000423150227 309388490 /nfs/dbraw/zinc/38/84/90/309388490.db2.gz IKUVILFHEICWFW-WAPOTWQKSA-N 2 0 329.488 3.202 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423202322 309390248 /nfs/dbraw/zinc/39/02/48/309390248.db2.gz AQZGSJIQLICYIB-CMOCDZPBSA-N 2 0 341.543 3.266 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423212354 309390722 /nfs/dbraw/zinc/39/07/22/309390722.db2.gz IGHCEOFKWVQRCZ-MBNYWOFBSA-N 2 0 343.284 3.497 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000423258399 309392617 /nfs/dbraw/zinc/39/26/17/309392617.db2.gz MAKSOMVQUFUMLT-OLZOCXBDSA-N 2 0 328.403 3.337 20 0 EGADRP COc1cc(OC)c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423259576 309392878 /nfs/dbraw/zinc/39/28/78/309392878.db2.gz OICUJEGPXZZDLQ-OLZOCXBDSA-N 2 0 326.868 3.398 20 0 EGADRP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cccnc2)c(F)c1 ZINC000423263386 309393029 /nfs/dbraw/zinc/39/30/29/309393029.db2.gz XBQYVAOCGBYLQQ-AUUYWEPGSA-N 2 0 331.410 3.429 20 0 EGADRP C[C@H](N[C@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423268546 309393073 /nfs/dbraw/zinc/39/30/73/309393073.db2.gz UUBIGEZXTBPFDF-DZFGPLHGSA-N 2 0 329.532 3.394 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423272878 309393545 /nfs/dbraw/zinc/39/35/45/309393545.db2.gz KEDPZELHBJSZHS-WBMJQRKESA-N 2 0 325.294 3.215 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccccc21 ZINC000423326504 309395289 /nfs/dbraw/zinc/39/52/89/309395289.db2.gz KQLHVBZYANWDSJ-ZWKOTPCHSA-N 2 0 330.472 3.148 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423336395 309395700 /nfs/dbraw/zinc/39/57/00/309395700.db2.gz SNKGMOMAELLCPZ-INIZCTEOSA-N 2 0 331.504 3.290 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423340552 309396101 /nfs/dbraw/zinc/39/61/01/309396101.db2.gz XJTBBXAPYHNMQN-VAMGGRTRSA-N 2 0 327.516 3.148 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423344173 309396119 /nfs/dbraw/zinc/39/61/19/309396119.db2.gz NYOADPSOKDRCBD-RTWAWAEBSA-N 2 0 339.483 3.353 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000423344889 309396402 /nfs/dbraw/zinc/39/64/02/309396402.db2.gz XEZPGCCWQJXSJB-MRXNPFEDSA-N 2 0 337.467 3.232 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423357570 309396889 /nfs/dbraw/zinc/39/68/89/309396889.db2.gz MHXUCLXAXYYGJD-MISYRCLQSA-N 2 0 349.563 3.397 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000423367083 309397342 /nfs/dbraw/zinc/39/73/42/309397342.db2.gz YORNIVJEMVXPMW-APWZRJJASA-N 2 0 329.488 3.389 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423401462 309398786 /nfs/dbraw/zinc/39/87/86/309398786.db2.gz XQHGRJMXGHWVAM-XYPHTWIQSA-N 2 0 341.421 3.051 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423430301 309400074 /nfs/dbraw/zinc/40/00/74/309400074.db2.gz KXNALCUZJZWUPK-JXFKEZNVSA-N 2 0 327.472 3.481 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423457192 309401031 /nfs/dbraw/zinc/40/10/31/309401031.db2.gz HSZWBQGXHHEKMR-UAGQMJEPSA-N 2 0 327.476 3.052 20 0 EGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423477983 309401797 /nfs/dbraw/zinc/40/17/97/309401797.db2.gz STDPFNFLGOFANY-RAUXBKROSA-N 2 0 334.479 3.314 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000423544308 309405721 /nfs/dbraw/zinc/40/57/21/309405721.db2.gz INVAQIPFEXBDHM-GPEJODLCSA-N 2 0 342.483 3.146 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423553844 309406039 /nfs/dbraw/zinc/40/60/39/309406039.db2.gz WDFYEPBJFPBGAA-BSDSXHPESA-N 2 0 332.488 3.003 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c1 ZINC000424248187 309434370 /nfs/dbraw/zinc/43/43/70/309434370.db2.gz UOAHVIOYQBMMBC-UHFFFAOYSA-N 2 0 336.439 3.010 20 0 EGADRP Cc1cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c2ccccc2n1 ZINC000424283285 309436297 /nfs/dbraw/zinc/43/62/97/309436297.db2.gz BEYQCQJQTKVKGD-UHFFFAOYSA-N 2 0 347.466 3.180 20 0 EGADRP CCCc1nc(C)c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000428249225 309545912 /nfs/dbraw/zinc/54/59/12/309545912.db2.gz XELMQBSNFDWNPE-HZPDHXFCSA-N 2 0 349.519 3.257 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000430772468 309617234 /nfs/dbraw/zinc/61/72/34/309617234.db2.gz BMWFYRYDFMBEEN-NZSAHSFTSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)cc1F ZINC000430922613 309621073 /nfs/dbraw/zinc/62/10/73/309621073.db2.gz BNGLIAVCZALRGJ-OLZOCXBDSA-N 2 0 332.423 3.304 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000433116697 309679192 /nfs/dbraw/zinc/67/91/92/309679192.db2.gz MQRQOVIQBPLTNF-WOJBJXKFSA-N 2 0 339.483 3.099 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(CC3CC[NH2+]CC3)n2)c1 ZINC000435726277 309738923 /nfs/dbraw/zinc/73/89/23/309738923.db2.gz NTTAFMHGKGJYKR-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc4ccoc43)cc2)CC1 ZINC000449081866 310035394 /nfs/dbraw/zinc/03/53/94/310035394.db2.gz IPHAHQCQJZTUJD-UHFFFAOYSA-N 2 0 349.478 3.470 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000449139278 310039733 /nfs/dbraw/zinc/03/97/33/310039733.db2.gz AIQLYRMTTIQOOR-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449163352 310041465 /nfs/dbraw/zinc/04/14/65/310041465.db2.gz LYPRGURFBKEAGC-AEFFLSMTSA-N 2 0 336.907 3.098 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCCC1 ZINC000449176801 310042293 /nfs/dbraw/zinc/04/22/93/310042293.db2.gz NPWHAHXMMCGYDV-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP COc1cccc2c(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)cccc12 ZINC000449185083 310042984 /nfs/dbraw/zinc/04/29/84/310042984.db2.gz FVIMACONTLQLNL-UHFFFAOYSA-N 2 0 342.483 3.173 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449219590 310045402 /nfs/dbraw/zinc/04/54/02/310045402.db2.gz NWGWEODHCOQTIG-AZUAARDMSA-N 2 0 349.950 3.278 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000449235101 310046755 /nfs/dbraw/zinc/04/67/55/310046755.db2.gz SURYASBAEUJSQN-UEXGIBASSA-N 2 0 329.532 3.154 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332093 310054272 /nfs/dbraw/zinc/05/42/72/310054272.db2.gz QALQSUQITUONJE-QZTJIDSGSA-N 2 0 330.472 3.154 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000449506932 310067864 /nfs/dbraw/zinc/06/78/64/310067864.db2.gz ZPJXQLLQOCFCCU-FQEVSTJZSA-N 2 0 345.531 3.075 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000449799804 310087996 /nfs/dbraw/zinc/08/79/96/310087996.db2.gz AWRIUEVMQASCET-QZTJIDSGSA-N 2 0 349.544 3.264 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449926651 310094495 /nfs/dbraw/zinc/09/44/95/310094495.db2.gz MTNNNZZAJGDEBW-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc[nH+]1 ZINC000450334963 310116229 /nfs/dbraw/zinc/11/62/29/310116229.db2.gz VSJUHNKHEVSTER-QGZVFWFLSA-N 2 0 339.483 3.378 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCSCc2ccccc2)CC1 ZINC000451990577 310206733 /nfs/dbraw/zinc/20/67/33/310206733.db2.gz RJXHCWWHRGKAON-UHFFFAOYSA-N 2 0 349.588 3.316 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453173279 310262404 /nfs/dbraw/zinc/26/24/04/310262404.db2.gz OEAAPYFYJGSRCL-ALGQRKQJSA-N 2 0 328.500 3.323 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453228913 310265522 /nfs/dbraw/zinc/26/55/22/310265522.db2.gz ZRLITXXZDHOGAQ-BFIYSBSQSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ncc(Br)s1 ZINC000453403826 310275121 /nfs/dbraw/zinc/27/51/21/310275121.db2.gz OZFIOFVUQWECKV-SNVBAGLBSA-N 2 0 332.311 3.431 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(N2CCOCC2)c1 ZINC000453409436 310275539 /nfs/dbraw/zinc/27/55/39/310275539.db2.gz UFFVRRILTVPRIM-QGZVFWFLSA-N 2 0 331.504 3.048 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455894380 310381555 /nfs/dbraw/zinc/38/15/55/310381555.db2.gz CVOMICSPZHUWGZ-NIKGAXFTSA-N 2 0 344.503 3.086 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000473553207 310776977 /nfs/dbraw/zinc/77/69/77/310776977.db2.gz QEZLVMGJQDZFQY-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccccc1-n1nccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000474156092 310786687 /nfs/dbraw/zinc/78/66/87/310786687.db2.gz YFNAOPSMULDAJG-UHFFFAOYSA-N 2 0 326.488 3.344 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000476897393 310835919 /nfs/dbraw/zinc/83/59/19/310835919.db2.gz VKPJFOXUICWTAO-IKGGRYGDSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000487190833 311014868 /nfs/dbraw/zinc/01/48/68/311014868.db2.gz BOMNBHRDQVCIOB-FFZOFVMBSA-N 2 0 343.515 3.201 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000487430372 311023285 /nfs/dbraw/zinc/02/32/85/311023285.db2.gz LOOCLOFVYIBWKQ-UEXGIBASSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)(C)OC1CC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000491020223 311160944 /nfs/dbraw/zinc/16/09/44/311160944.db2.gz MDUMSVJGRYOZKF-XEVCZEQESA-N 2 0 330.516 3.487 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000492216780 311227491 /nfs/dbraw/zinc/22/74/91/311227491.db2.gz YFFKNOXWLFITRF-YYIAUSFCSA-N 2 0 339.524 3.094 20 0 EGADRP O=C(C=Cc1c[nH]cn1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000492810296 311294089 /nfs/dbraw/zinc/29/40/89/311294089.db2.gz HXLFLHZYZFCPFE-ZPUOCTKUSA-N 2 0 344.846 3.030 20 0 EGADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCc3ccccc3OC2)ccc1F ZINC000493818525 311434653 /nfs/dbraw/zinc/43/46/53/311434653.db2.gz LWMAYCXBTUBDTQ-SFHVURJKSA-N 2 0 328.431 3.371 20 0 EGADRP CC(C)C[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718452 312100635 /nfs/dbraw/zinc/10/06/35/312100635.db2.gz NTSUXHICHXKHHJ-CEWLAPEOSA-N 2 0 331.548 3.463 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722195 312100798 /nfs/dbraw/zinc/10/07/98/312100798.db2.gz RLASPVPVOSFYOW-CEWLAPEOSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000510404917 312139854 /nfs/dbraw/zinc/13/98/54/312139854.db2.gz ADNBBEHBJHPIJJ-KSZLIROESA-N 2 0 337.552 3.124 20 0 EGADRP CCn1nccc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513513238 312212246 /nfs/dbraw/zinc/21/22/46/312212246.db2.gz SBVYNFZZVMHZLY-HKUYNNGSSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)cn2)C[C@@H](C)O1 ZINC000515346326 312277603 /nfs/dbraw/zinc/27/76/03/312277603.db2.gz GVWBHRHQRRXZIR-TWKYDXJASA-N 2 0 338.455 3.252 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCc2cncn2C)c(Br)c1 ZINC000515941411 312302984 /nfs/dbraw/zinc/30/29/84/312302984.db2.gz SNGHZWUTTJVEIK-LLVKDONJSA-N 2 0 338.249 3.085 20 0 EGADRP OCCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517918683 312398238 /nfs/dbraw/zinc/39/82/38/312398238.db2.gz HUTHICCFYUMSCM-NQIIRXRSSA-N 2 0 344.499 3.165 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000519640638 312467529 /nfs/dbraw/zinc/46/75/29/312467529.db2.gz CRMIQJYRCCKLJU-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527854815 312958912 /nfs/dbraw/zinc/95/89/12/312958912.db2.gz XEDAOPWWHGHXSG-UGSOOPFHSA-N 2 0 339.886 3.082 20 0 EGADRP COc1cccc([C@@H]2C[N@H+](CCCc3cncn3C)CC2(C)C)c1 ZINC000528616982 313130206 /nfs/dbraw/zinc/13/02/06/313130206.db2.gz DGHSYAMHRDFJFF-IBGZPJMESA-N 2 0 327.472 3.487 20 0 EGADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000528679753 313145754 /nfs/dbraw/zinc/14/57/54/313145754.db2.gz IKGSVWCJJWAJBO-SFHVURJKSA-N 2 0 340.427 3.336 20 0 EGADRP c1cc(N2CCC([NH2+]C[C@@H]3CCN3C3CCCCC3)CC2)cc[nH+]1 ZINC000529638708 313376135 /nfs/dbraw/zinc/37/61/35/313376135.db2.gz AFVFDFDOFCIARP-FQEVSTJZSA-N 2 0 328.504 3.047 20 0 EGADRP C[C@H](CCCC[NH3+])[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530212505 313497546 /nfs/dbraw/zinc/49/75/46/313497546.db2.gz QNEQPPVUOHWLLC-OAHLLOKOSA-N 2 0 334.508 3.499 20 0 EGADRP FC(F)(F)c1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530237532 313503189 /nfs/dbraw/zinc/50/31/89/313503189.db2.gz FANWTRHXLWVUHN-KRWDZBQOSA-N 2 0 342.405 3.296 20 0 EGADRP CC(C)=CCC[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000532485823 313805444 /nfs/dbraw/zinc/80/54/44/313805444.db2.gz UADJUPZRNRYFFC-IBGZPJMESA-N 2 0 345.535 3.103 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536499439 314118074 /nfs/dbraw/zinc/11/80/74/314118074.db2.gz ZDHGRSNACFNOCX-BEFAXECRSA-N 2 0 335.923 3.333 20 0 EGADRP CCc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C(C)C)cc1 ZINC000536998293 314155814 /nfs/dbraw/zinc/15/58/14/314155814.db2.gz NEFXSCYIEFOLCT-VQTJNVASSA-N 2 0 345.531 3.123 20 0 EGADRP c1cc2c(cc1[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C1CC1)OCCO2 ZINC000538210902 314232521 /nfs/dbraw/zinc/23/25/21/314232521.db2.gz OIMIJUPXMOVXLY-OAQYLSRUSA-N 2 0 342.483 3.373 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3C[C@H](C)[NH+](C)C[C@H]3C)c2)C[C@H](C)O1 ZINC000538589298 314256324 /nfs/dbraw/zinc/25/63/24/314256324.db2.gz IUUUKNPZRBSEPL-OHHNFCFSSA-N 2 0 345.531 3.436 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539086242 314294999 /nfs/dbraw/zinc/29/49/99/314294999.db2.gz DOAQSCWDLQECTL-JXFKEZNVSA-N 2 0 334.504 3.219 20 0 EGADRP COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000539294369 314304713 /nfs/dbraw/zinc/30/47/13/314304713.db2.gz CCQRMGWWBAUBDL-YWZLYKJASA-N 2 0 332.488 3.235 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000550075025 315115627 /nfs/dbraw/zinc/11/56/27/315115627.db2.gz KEQYBZIJNURJBA-AWEZNQCLSA-N 2 0 339.321 3.484 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000551006628 315139670 /nfs/dbraw/zinc/13/96/70/315139670.db2.gz HEYBUTBBRMJYKK-OXQOHEQNSA-N 2 0 349.950 3.277 20 0 EGADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193000 /nfs/dbraw/zinc/19/30/00/315193000.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 2 0 341.543 3.361 20 0 EGADRP CCC[N@H+](C)[C@H](CNC(=O)C[NH+](C)C(C)C)c1ccc(Cl)cc1 ZINC000553016666 315241547 /nfs/dbraw/zinc/24/15/47/315241547.db2.gz CXWSOYDWMGQZFE-QGZVFWFLSA-N 2 0 339.911 3.179 20 0 EGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554049781 315295406 /nfs/dbraw/zinc/29/54/06/315295406.db2.gz BRWGABWBATXZTA-VXKWHMMOSA-N 2 0 341.543 3.363 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000554112298 315298572 /nfs/dbraw/zinc/29/85/72/315298572.db2.gz PCCSMCKYMGXREG-CVEARBPZSA-N 2 0 332.492 3.209 20 0 EGADRP CC(C)Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000554401711 315316394 /nfs/dbraw/zinc/31/63/94/315316394.db2.gz GXTHXYDTOWDQDD-WMQCIHAUSA-N 2 0 331.548 3.418 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000555537338 315388735 /nfs/dbraw/zinc/38/87/35/315388735.db2.gz LSVQZQPEJJMDCX-GOSISDBHSA-N 2 0 329.532 3.317 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555548574 315389253 /nfs/dbraw/zinc/38/92/53/315389253.db2.gz AKXCBDDOGYOGSB-DZGCQCFKSA-N 2 0 337.305 3.238 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000555559130 315390819 /nfs/dbraw/zinc/39/08/19/315390819.db2.gz IBIMULJZFLPTLB-ROUUACIJSA-N 2 0 345.531 3.497 20 0 EGADRP C[NH+](C)C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000558975224 315613328 /nfs/dbraw/zinc/61/33/28/315613328.db2.gz LMXINPSNFZIQEZ-IBGZPJMESA-N 2 0 335.923 3.407 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000560002394 315653813 /nfs/dbraw/zinc/65/38/13/315653813.db2.gz HNNVCKVYOXOMDV-NHCUHLMSSA-N 2 0 329.532 3.487 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC000562748043 315893564 /nfs/dbraw/zinc/89/35/64/315893564.db2.gz IWJUOZVYEHWXDG-QIIPPGSGSA-N 2 0 349.906 3.343 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccsc1 ZINC000563060442 315952215 /nfs/dbraw/zinc/95/22/15/315952215.db2.gz GMBSMFWRCSISDG-BHYGNILZSA-N 2 0 337.533 3.155 20 0 EGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000563092907 315957570 /nfs/dbraw/zinc/95/75/70/315957570.db2.gz PDEFBNCISIHVNS-MJGOQNOKSA-N 2 0 329.488 3.171 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000563626248 316048565 /nfs/dbraw/zinc/04/85/65/316048565.db2.gz WCEXFGAVXAVFGY-UHFFFAOYSA-N 2 0 337.423 3.466 20 0 EGADRP C[C@@H]1[C@H](NC(=O)Nc2ccn3ccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000563786149 316068068 /nfs/dbraw/zinc/06/80/68/316068068.db2.gz GKVXQRQDUVAESG-CRAIPNDOSA-N 2 0 349.438 3.119 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000563898699 316088092 /nfs/dbraw/zinc/08/80/92/316088092.db2.gz OXBZBJLMFJWHQB-GGPKGHCWSA-N 2 0 331.504 3.082 20 0 EGADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563975900 316099557 /nfs/dbraw/zinc/09/95/57/316099557.db2.gz JZVSYHJCZDDGOO-ATNYBXOESA-N 2 0 339.886 3.331 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000564587877 316171616 /nfs/dbraw/zinc/17/16/16/316171616.db2.gz ODGBFRGMAFNJGI-SAKMYQHLSA-N 2 0 331.479 3.417 20 0 EGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000564713012 316192378 /nfs/dbraw/zinc/19/23/78/316192378.db2.gz DCIHZZGWQGFHAD-ZDUSSCGKSA-N 2 0 345.468 3.018 20 0 EGADRP CC(C)[NH2+]CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000564822343 316212221 /nfs/dbraw/zinc/21/22/21/316212221.db2.gz IVACQNGHGGSJIE-UHFFFAOYSA-N 2 0 341.902 3.421 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000564872790 316223702 /nfs/dbraw/zinc/22/37/02/316223702.db2.gz HZILWXAWJFYHPB-GOSISDBHSA-N 2 0 342.483 3.172 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000564969684 316239692 /nfs/dbraw/zinc/23/96/92/316239692.db2.gz BPFGZVDDTZELFB-RYUDHWBXSA-N 2 0 334.382 3.242 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000565115509 316269129 /nfs/dbraw/zinc/26/91/29/316269129.db2.gz IANOCHNLXCEROC-MMKMLUHNSA-N 2 0 329.532 3.184 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)CC[NH+](C)C ZINC000565444517 316325036 /nfs/dbraw/zinc/32/50/36/316325036.db2.gz QUBPGMAQQXBSAX-NWDGAFQWSA-N 2 0 331.273 3.449 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000565476326 316329241 /nfs/dbraw/zinc/32/92/41/316329241.db2.gz IGPDJVMKJNTAER-CJNGLKHVSA-N 2 0 346.437 3.175 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccc(F)cc1C(F)(F)F)CC[NH+](C)C ZINC000565744833 316363578 /nfs/dbraw/zinc/36/35/78/316363578.db2.gz UKRYTULAEKEACG-UHFFFAOYSA-N 2 0 349.416 3.160 20 0 EGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000565813086 316372316 /nfs/dbraw/zinc/37/23/16/316372316.db2.gz SKCYSVVNCYRERS-XUVXKRRUSA-N 2 0 344.499 3.040 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000566088259 316414045 /nfs/dbraw/zinc/41/40/45/316414045.db2.gz DQWJUVSMFJIZHL-GFCCVEGCSA-N 2 0 331.273 3.497 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566092277 316414692 /nfs/dbraw/zinc/41/46/92/316414692.db2.gz XXEWLQLZSNEYEZ-VMUDFCTBSA-N 2 0 335.879 3.035 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000566226418 316438837 /nfs/dbraw/zinc/43/88/37/316438837.db2.gz GGZHCPZMOSEYAZ-IRXDYDNUSA-N 2 0 346.519 3.208 20 0 EGADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000567641631 316648831 /nfs/dbraw/zinc/64/88/31/316648831.db2.gz YWINGBRRBBCQND-YHJVDBJQSA-N 2 0 341.455 3.068 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000568391823 316769094 /nfs/dbraw/zinc/76/90/94/316769094.db2.gz PRIGDRUTWXHVPX-KXBFYZLASA-N 2 0 333.545 3.011 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000570320884 317039035 /nfs/dbraw/zinc/03/90/35/317039035.db2.gz JBQYBTSASFFILN-HNNXBMFYSA-N 2 0 332.492 3.211 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000570450645 317057790 /nfs/dbraw/zinc/05/77/90/317057790.db2.gz NUIGZKRXIBAVQS-UZLBHIALSA-N 2 0 347.572 3.402 20 0 EGADRP C(CC[N@@H+]1CCSC[C@@H]1C1CC1)C[NH+]1CCSC[C@@H]1C1CC1 ZINC000571137005 317154893 /nfs/dbraw/zinc/15/48/93/317154893.db2.gz KXJSAKRNVMMNDH-QZTJIDSGSA-N 2 0 340.602 3.421 20 0 EGADRP C[C@H]([NH2+]C1(CN[C@@H]2CCCCC[C@H]2[NH3+])CCOCC1)c1ccccc1 ZINC000572510487 317349681 /nfs/dbraw/zinc/34/96/81/317349681.db2.gz ROYARBCLDRYQPW-DFQSSKMNSA-N 2 0 345.531 3.136 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000574304368 317584272 /nfs/dbraw/zinc/58/42/72/317584272.db2.gz QYENUMFSEOKLJH-NHCUHLMSSA-N 2 0 327.516 3.367 20 0 EGADRP C[C@H](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379643149 324239809 /nfs/dbraw/zinc/23/98/09/324239809.db2.gz FLYOXXUSSQTRBV-CWJKEVGVSA-N 2 0 329.532 3.407 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000379639879 324240509 /nfs/dbraw/zinc/24/05/09/324240509.db2.gz WDMCPKKLXVVGIM-INIZCTEOSA-N 2 0 339.524 3.240 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4COc5ccccc5C4)[C@H]3C2)cc1 ZINC000380816691 324244689 /nfs/dbraw/zinc/24/46/89/324244689.db2.gz DPUFIQWIVIPHCU-CMOCDZPBSA-N 2 0 348.490 3.490 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000518833432 324390465 /nfs/dbraw/zinc/39/04/65/324390465.db2.gz SREOOWQEDIJNLU-VQTJNVASSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000576940740 324711396 /nfs/dbraw/zinc/71/13/96/324711396.db2.gz YEPZNYUBEKQIET-QWFCFKBJSA-N 2 0 345.531 3.258 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1ccc(C2CCC2)cc1)N1CC[NH+](C)CC1 ZINC000578483287 324974545 /nfs/dbraw/zinc/97/45/45/324974545.db2.gz MYKOMZJUAKQGJJ-NRFANRHFSA-N 2 0 329.532 3.316 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000579251115 325084400 /nfs/dbraw/zinc/08/44/00/325084400.db2.gz YRTLOXJIJLRLTG-HNNXBMFYSA-N 2 0 331.504 3.199 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000579715142 325149865 /nfs/dbraw/zinc/14/98/65/325149865.db2.gz QOJPSTRBBJRNGY-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000579930135 325178382 /nfs/dbraw/zinc/17/83/82/325178382.db2.gz WGQYXDPIQZKXRE-FQEVSTJZSA-N 2 0 345.531 3.258 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(CC[NH3+])CC1 ZINC000580202306 325218146 /nfs/dbraw/zinc/21/81/46/325218146.db2.gz WPGYSHIFTZVSIL-LSDHHAIUSA-N 2 0 343.471 3.059 20 0 EGADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000580414195 325246959 /nfs/dbraw/zinc/24/69/59/325246959.db2.gz HHMNDOPJMVGCST-MAUKXSAKSA-N 2 0 335.455 3.288 20 0 EGADRP C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)Cn1cccn1 ZINC000581404335 325358054 /nfs/dbraw/zinc/35/80/54/325358054.db2.gz WPJWDDWVBKHHHY-SFHVURJKSA-N 2 0 328.504 3.267 20 0 EGADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879866 325395675 /nfs/dbraw/zinc/39/56/75/325395675.db2.gz CRLMEZSQIPFYEH-SZVBFZGTSA-N 2 0 336.907 3.411 20 0 EGADRP CCC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582305484 325431149 /nfs/dbraw/zinc/43/11/49/325431149.db2.gz BHDAWGPFDBCPAI-QXAKKESOSA-N 2 0 346.515 3.361 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000157702780 455222868 /nfs/dbraw/zinc/22/28/68/455222868.db2.gz GHTDDUBFGSAVHU-BPAFIMBUSA-N 2 0 332.488 3.235 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000180812792 455250306 /nfs/dbraw/zinc/25/03/06/455250306.db2.gz HOVZTSJTOUDSLG-DOTOQJQBSA-N 2 0 339.524 3.094 20 0 EGADRP Brc1cccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000157936605 455250364 /nfs/dbraw/zinc/25/03/64/455250364.db2.gz ZDNMXYXVBBIIKN-LSDHHAIUSA-N 2 0 339.277 3.044 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000157954943 455252845 /nfs/dbraw/zinc/25/28/45/455252845.db2.gz VFFITHJCVYABET-ROUUACIJSA-N 2 0 341.503 3.430 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000264693347 455264363 /nfs/dbraw/zinc/26/43/63/455264363.db2.gz FHZPOFIFUXTXBO-QZTJIDSGSA-N 2 0 345.531 3.134 20 0 EGADRP CN(CC[N@H+](C)CCCSCc1ccccc1)C1CC[NH+](C)CC1 ZINC000180939067 455266093 /nfs/dbraw/zinc/26/60/93/455266093.db2.gz JGOKBODQNGRTLR-UHFFFAOYSA-N 2 0 349.588 3.268 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173341055 455268732 /nfs/dbraw/zinc/26/87/32/455268732.db2.gz ZNCPKZMDSHMZEB-IRXDYDNUSA-N 2 0 339.524 3.001 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000190135221 455281592 /nfs/dbraw/zinc/28/15/92/455281592.db2.gz LGGJQDOGVGWKAO-UHFFFAOYSA-N 2 0 340.556 3.013 20 0 EGADRP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000600712685 460575264 /nfs/dbraw/zinc/57/52/64/460575264.db2.gz ZYZVTQIENAHJHZ-RTBURBONSA-N 2 0 332.488 3.002 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)c(C(C)C)c1 ZINC000631846538 460580014 /nfs/dbraw/zinc/58/00/14/460580014.db2.gz ZXIAICDUCRVDKD-IBGZPJMESA-N 2 0 341.503 3.431 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000068778957 454052847 /nfs/dbraw/zinc/05/28/47/454052847.db2.gz DBHBMLCJWDUSBG-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP COc1ccc(Br)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000087798172 454089965 /nfs/dbraw/zinc/08/99/65/454089965.db2.gz CGUWGUQLAAZKSM-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277547 454094039 /nfs/dbraw/zinc/09/40/39/454094039.db2.gz YMMXADTUDLOTHH-MRXNPFEDSA-N 2 0 332.492 3.134 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000089215455 454127102 /nfs/dbraw/zinc/12/71/02/454127102.db2.gz VMXFVSDBACGCQU-AWEZNQCLSA-N 2 0 325.460 3.056 20 0 EGADRP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089627510 454170073 /nfs/dbraw/zinc/17/00/73/454170073.db2.gz DYAXTVJQCYIVNO-QZTJIDSGSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000089702646 454180092 /nfs/dbraw/zinc/18/00/92/454180092.db2.gz NTJSYWHGBRTBMS-SJKOYZFVSA-N 2 0 342.314 3.206 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000130528874 454202323 /nfs/dbraw/zinc/20/23/23/454202323.db2.gz ZNXVOPSAXCVVJA-XLIONFOSSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131280012 454244528 /nfs/dbraw/zinc/24/45/28/454244528.db2.gz AQKFJTUFFIBHMR-OVTCNUJSSA-N 2 0 331.287 3.345 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000071954568 454261896 /nfs/dbraw/zinc/26/18/96/454261896.db2.gz IJMXEDGBQDLZDU-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028866 454264537 /nfs/dbraw/zinc/26/45/37/454264537.db2.gz FORFZRXRUQATDI-IBGZPJMESA-N 2 0 343.515 3.181 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000120643918 454329448 /nfs/dbraw/zinc/32/94/48/454329448.db2.gz AMQIWXUSSYPHOP-KXBFYZLASA-N 2 0 339.439 3.286 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000132410001 454336388 /nfs/dbraw/zinc/33/63/88/454336388.db2.gz QXNCQEAQBKSRIK-NDXORKPFSA-N 2 0 347.522 3.311 20 0 EGADRP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120784256 454347425 /nfs/dbraw/zinc/34/74/25/454347425.db2.gz GOUVUYDDRNCZSW-OALUTQOASA-N 2 0 331.548 3.419 20 0 EGADRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000120828233 454352050 /nfs/dbraw/zinc/35/20/50/454352050.db2.gz RMIQTIAQMAJHOJ-YLJYHZDGSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)CN1CC[NH+](C)CC1 ZINC000120885499 454360186 /nfs/dbraw/zinc/36/01/86/454360186.db2.gz IXNHEZAIJRMHJO-YCPHGPKFSA-N 2 0 339.574 3.147 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cc2c(s1)CCCC2)CN1CC[NH+](C)CC1 ZINC000120893758 454361523 /nfs/dbraw/zinc/36/15/23/454361523.db2.gz IRTGELDVXFHQLG-HZPDHXFCSA-N 2 0 335.561 3.161 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000120984600 454373666 /nfs/dbraw/zinc/37/36/66/454373666.db2.gz MCNKHCGYVXYWQM-GJZGRUSLSA-N 2 0 343.437 3.240 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1)CN1CC[NH+](C)CC1 ZINC000121055782 454384793 /nfs/dbraw/zinc/38/47/93/454384793.db2.gz DXYDOOXTNYOXID-QZTJIDSGSA-N 2 0 341.499 3.481 20 0 EGADRP Brc1csc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197914 454396204 /nfs/dbraw/zinc/39/62/04/454396204.db2.gz RCYRSEPGLDFEMV-CQSZACIVSA-N 2 0 329.307 3.475 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000121156802 454400340 /nfs/dbraw/zinc/40/03/40/454400340.db2.gz FLXIDMCLPWUUJO-FXAWDEMLSA-N 2 0 345.531 3.329 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000121394447 454429220 /nfs/dbraw/zinc/42/92/20/454429220.db2.gz WNLBXYBGCHPUMI-CRAIPNDOSA-N 2 0 335.511 3.367 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824404 454477011 /nfs/dbraw/zinc/47/70/11/454477011.db2.gz XMZGMEQLVNDOBH-LJQANCHMSA-N 2 0 329.488 3.138 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OC ZINC000133905446 454481483 /nfs/dbraw/zinc/48/14/83/454481483.db2.gz JEQCJUONHGWZOG-XYJFISCASA-N 2 0 334.504 3.345 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066753 454512363 /nfs/dbraw/zinc/51/23/63/454512363.db2.gz UQYLTIOMJZFZDP-APWZRJJASA-N 2 0 344.499 3.461 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000122313551 454521844 /nfs/dbraw/zinc/52/18/44/454521844.db2.gz GXGPXBWYQYJWBE-YLJYHZDGSA-N 2 0 345.531 3.249 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000122870822 454576529 /nfs/dbraw/zinc/57/65/29/454576529.db2.gz RMNISVUYQFEWCQ-QHAWAJNXSA-N 2 0 343.559 3.430 20 0 EGADRP COc1ccsc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587129 454591242 /nfs/dbraw/zinc/59/12/42/454591242.db2.gz UJHPYCXOYYRWSL-GASCZTMLSA-N 2 0 338.517 3.078 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123809177 454677484 /nfs/dbraw/zinc/67/74/84/454677484.db2.gz TUOGJAMEFRRAGL-UZLBHIALSA-N 2 0 340.467 3.281 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000093132713 454685845 /nfs/dbraw/zinc/68/58/45/454685845.db2.gz FVHHGYXIGCRUGR-SFHVURJKSA-N 2 0 335.923 3.169 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[NH+](C)C ZINC000106458835 454696003 /nfs/dbraw/zinc/69/60/03/454696003.db2.gz YAGPTGDUPMLUBP-LJQANCHMSA-N 2 0 331.504 3.443 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000161591037 454705933 /nfs/dbraw/zinc/70/59/33/454705933.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 2 0 327.516 3.113 20 0 EGADRP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000161695028 454715381 /nfs/dbraw/zinc/71/53/81/454715381.db2.gz BFPZLTBXPAMZEM-IRXDYDNUSA-N 2 0 345.512 3.208 20 0 EGADRP COc1ccc(OC)c([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000152742129 454719420 /nfs/dbraw/zinc/71/94/20/454719420.db2.gz HUMDOLDPDVJHLJ-AWEZNQCLSA-N 2 0 329.444 3.130 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000635008827 460651340 /nfs/dbraw/zinc/65/13/40/460651340.db2.gz HLSHTKHCEFZQSH-UWJYYQICSA-N 2 0 341.543 3.465 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152977523 454749077 /nfs/dbraw/zinc/74/90/77/454749077.db2.gz VKOYWZVIPGRYMP-QCFAMHMHSA-N 2 0 329.532 3.359 20 0 EGADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162138108 454753418 /nfs/dbraw/zinc/75/34/18/454753418.db2.gz WOLGFSLPPZEUFC-NQIIRXRSSA-N 2 0 329.532 3.279 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000635010575 460654507 /nfs/dbraw/zinc/65/45/07/460654507.db2.gz KIBLYSYKESUCIW-HIFRSBDPSA-N 2 0 329.488 3.345 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000138088042 454788349 /nfs/dbraw/zinc/78/83/49/454788349.db2.gz WYIJTXVFLMDYFV-ROUUACIJSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000182248661 455472008 /nfs/dbraw/zinc/47/20/08/455472008.db2.gz KZYPREAMJCCPJH-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000153599545 454811050 /nfs/dbraw/zinc/81/10/50/454811050.db2.gz RVPLUHPVOJCVOV-YLJYHZDGSA-N 2 0 329.532 3.407 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163112984 454824290 /nfs/dbraw/zinc/82/42/90/454824290.db2.gz NMTBAFDHJWPTID-UHIISALHSA-N 2 0 331.291 3.119 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635013591 460655698 /nfs/dbraw/zinc/65/56/98/460655698.db2.gz ZMNRCPIHEQKIGO-SXLOBPIMSA-N 3 0 329.532 3.265 20 0 EGADRP Fc1cc2c(c(F)c1F)[C@@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000635011902 460655964 /nfs/dbraw/zinc/65/59/64/460655964.db2.gz QHMFNLSPTDZLLD-AWEZNQCLSA-N 2 0 348.372 3.008 20 0 EGADRP CCC[C@H](CC)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000125905677 454854846 /nfs/dbraw/zinc/85/48/46/454854846.db2.gz DICALGMTSHXZAS-IBGZPJMESA-N 2 0 331.504 3.181 20 0 EGADRP C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163587834 454857023 /nfs/dbraw/zinc/85/70/23/454857023.db2.gz YGHBFTUVMCZXCY-KXBFYZLASA-N 2 0 335.923 3.234 20 0 EGADRP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374219 454857411 /nfs/dbraw/zinc/85/74/11/454857411.db2.gz ZISUBIZYNZDIIA-AWEZNQCLSA-N 2 0 341.902 3.498 20 0 EGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000126010455 454863694 /nfs/dbraw/zinc/86/36/94/454863694.db2.gz ZXEGAGGAOBYOLX-RHSMWYFYSA-N 2 0 340.533 3.107 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000163869627 454866735 /nfs/dbraw/zinc/86/67/35/454866735.db2.gz KFOZWLFMEIVEHC-QGZVFWFLSA-N 2 0 345.531 3.170 20 0 EGADRP CC(C)OCCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177510366 454872292 /nfs/dbraw/zinc/87/22/92/454872292.db2.gz MKYDOZMBSXYSSB-ROUUACIJSA-N 2 0 326.525 3.013 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000164079645 454874002 /nfs/dbraw/zinc/87/40/02/454874002.db2.gz MNSSELGJCOKCQR-AABGKKOBSA-N 2 0 343.515 3.012 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000154253910 454878416 /nfs/dbraw/zinc/87/84/16/454878416.db2.gz LOOIVEYEANSBPN-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP Cc1csc2nc(C)nc(N(CCC[NH+](C)C)CCC[NH+](C)C)c12 ZINC000126247666 454880084 /nfs/dbraw/zinc/88/00/84/454880084.db2.gz UFMVNHPJLKVLIB-UHFFFAOYSA-N 2 0 349.548 3.018 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000164838429 454889920 /nfs/dbraw/zinc/88/99/20/454889920.db2.gz PNFKVEJHUVKHJZ-ROUUACIJSA-N 2 0 345.531 3.169 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1F ZINC000154394503 454892814 /nfs/dbraw/zinc/89/28/14/454892814.db2.gz JNBDUHJIKCZPQU-SFHVURJKSA-N 2 0 325.447 3.033 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cnc2ccsc2c1)N1CC[NH+](C)CC1 ZINC000126544046 454901247 /nfs/dbraw/zinc/90/12/47/454901247.db2.gz IGAVANFTAHAUQT-QAPCUYQASA-N 2 0 346.544 3.219 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(F)cc1F ZINC000154502081 454902210 /nfs/dbraw/zinc/90/22/10/454902210.db2.gz UFZNKDYODZKROT-IBGZPJMESA-N 2 0 339.474 3.423 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc3cccnc32)C[C@@H](C)O1 ZINC000126817832 454920079 /nfs/dbraw/zinc/92/00/79/454920079.db2.gz BBPSBBSPRBYPOK-IAGOWNOFSA-N 2 0 327.472 3.214 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000150997298 454923904 /nfs/dbraw/zinc/92/39/04/454923904.db2.gz NXBJQVUTFGFJCN-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP CCC(CC)(CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000168758868 454927876 /nfs/dbraw/zinc/92/78/76/454927876.db2.gz TVZKAZQXWMXJEE-LPHOPBHVSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)sc1C ZINC000127802179 454998687 /nfs/dbraw/zinc/99/86/87/454998687.db2.gz CYIAEWHGUYITDR-KBXCAEBGSA-N 2 0 344.528 3.198 20 0 EGADRP O=C1CCCCCN1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000155477109 455006378 /nfs/dbraw/zinc/00/63/78/455006378.db2.gz ISUJNBRPIXFDBE-UHFFFAOYSA-N 2 0 335.536 3.166 20 0 EGADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)o1 ZINC000115616598 455022809 /nfs/dbraw/zinc/02/28/09/455022809.db2.gz CAJGJFVMOISOQX-MRXNPFEDSA-N 2 0 345.462 3.120 20 0 EGADRP C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000151833547 455036389 /nfs/dbraw/zinc/03/63/89/455036389.db2.gz LOKUWLCUAXZNPW-ZDUSSCGKSA-N 2 0 327.350 3.492 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(Cl)s1 ZINC000155727405 455036936 /nfs/dbraw/zinc/03/69/36/455036936.db2.gz XHNLOXGJYOXNJI-ZIAGYGMSSA-N 2 0 329.941 3.468 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000155769365 455043215 /nfs/dbraw/zinc/04/32/15/455043215.db2.gz LNFMVWJHUIZZCI-LVCYWYKZSA-N 3 0 329.532 3.348 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000179718007 455069522 /nfs/dbraw/zinc/06/95/22/455069522.db2.gz URGJHGFALBXPHG-QGZVFWFLSA-N 2 0 348.450 3.123 20 0 EGADRP CC(C)[NH+](CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000156255271 455098027 /nfs/dbraw/zinc/09/80/27/455098027.db2.gz CFBNTYZHCZJEJR-QUCCMNQESA-N 2 0 332.536 3.000 20 0 EGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)CN3CCC(C)CC3)c2C1 ZINC000156266166 455098759 /nfs/dbraw/zinc/09/87/59/455098759.db2.gz PQGZWNOISCWUFZ-UHFFFAOYSA-N 2 0 329.488 3.329 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129280170 455104411 /nfs/dbraw/zinc/10/44/11/455104411.db2.gz NESNMIKPUJGJIH-HOTGVXAUSA-N 2 0 335.458 3.115 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000156465987 455121662 /nfs/dbraw/zinc/12/16/62/455121662.db2.gz NTSGUGQVXKPXCV-SFHVURJKSA-N 2 0 338.499 3.070 20 0 EGADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000156561346 455132975 /nfs/dbraw/zinc/13/29/75/455132975.db2.gz RBJCYBAXUGKEPG-FUHWJXTLSA-N 2 0 342.487 3.134 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnn1C ZINC000180158223 455141086 /nfs/dbraw/zinc/14/10/86/455141086.db2.gz VBLQCBHXVSXCTI-KYPFXXDHSA-N 2 0 338.499 3.290 20 0 EGADRP C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000156672352 455143226 /nfs/dbraw/zinc/14/32/26/455143226.db2.gz CQHMGHSUSRHLID-MSOLQXFVSA-N 2 0 333.520 3.010 20 0 EGADRP CC(C)n1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000180181637 455145721 /nfs/dbraw/zinc/14/57/21/455145721.db2.gz MPAAZYOZXSOQJQ-ROUUACIJSA-N 2 0 348.535 3.175 20 0 EGADRP C[C@H]1C[C@H]([N@H+](C)CCCc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000156970471 455159328 /nfs/dbraw/zinc/15/93/28/455159328.db2.gz NFJXHBXQAKRBPO-GHTZIAJQSA-N 2 0 340.515 3.338 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189270732 455166817 /nfs/dbraw/zinc/16/68/17/455166817.db2.gz KTMLAMHHBWECMZ-UXHICEINSA-N 2 0 329.532 3.013 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000237389062 455181213 /nfs/dbraw/zinc/18/12/13/455181213.db2.gz KWWHQOZBERURQW-UHFFFAOYSA-N 2 0 342.487 3.484 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000237407213 455182270 /nfs/dbraw/zinc/18/22/70/455182270.db2.gz CLYNUUWCTUTOJD-DLBZAZTESA-N 2 0 345.531 3.258 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H](C)C2 ZINC000181034979 455279541 /nfs/dbraw/zinc/27/95/41/455279541.db2.gz RUCXXFZTSVXHMT-HRAATJIYSA-N 2 0 339.483 3.354 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000173616635 455317054 /nfs/dbraw/zinc/31/70/54/455317054.db2.gz OKZXSVVRQVJRET-AWEZNQCLSA-N 2 0 337.895 3.438 20 0 EGADRP COc1cccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000158639969 455318343 /nfs/dbraw/zinc/31/83/43/455318343.db2.gz ALNHVHDJTCEPNH-MRXNPFEDSA-N 2 0 328.456 3.486 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000173675383 455326366 /nfs/dbraw/zinc/32/63/66/455326366.db2.gz MIRMLWLOPVOUPP-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000245571814 455332631 /nfs/dbraw/zinc/33/26/31/455332631.db2.gz BXTQKENODYITMZ-IYOUNJFTSA-N 2 0 339.886 3.378 20 0 EGADRP Cc1cc(N2CC[NH+](CC3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000265498435 455334559 /nfs/dbraw/zinc/33/45/59/455334559.db2.gz MCPIJHLIMRCALB-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245721950 455363864 /nfs/dbraw/zinc/36/38/64/455363864.db2.gz UVWVDUPHZSHFLS-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP CN(C(=O)c1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245721844 455364363 /nfs/dbraw/zinc/36/43/63/455364363.db2.gz PWLARCFSOHQHEO-IAGOWNOFSA-N 2 0 349.544 3.157 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOCC2CC2)CC1 ZINC000181632361 455365134 /nfs/dbraw/zinc/36/51/34/455365134.db2.gz CJMGNOQVVLOCNS-MRXNPFEDSA-N 2 0 349.494 3.045 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(OCC3CC3)cc2)C[C@H](C)O1 ZINC000190893331 455399344 /nfs/dbraw/zinc/39/93/44/455399344.db2.gz XGGNYVHELZHYDM-HDICACEKSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246275363 455462903 /nfs/dbraw/zinc/46/29/03/455462903.db2.gz MDBROHLIDFPDPC-ZSYWTGECSA-N 2 0 337.552 3.158 20 0 EGADRP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000246932131 455536583 /nfs/dbraw/zinc/53/65/83/455536583.db2.gz TUMWAYFLSHKPQR-MRXNPFEDSA-N 2 0 329.488 3.341 20 0 EGADRP Cc1cnn(-c2cc[nH+]cc2NCc2ccc(N3CCCC3)nc2)c1 ZINC000182667786 455563744 /nfs/dbraw/zinc/56/37/44/455563744.db2.gz VAFBEPKMYSWEOX-UHFFFAOYSA-N 2 0 334.427 3.183 20 0 EGADRP CC[NH+](CC)CCCC1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000192354146 455594483 /nfs/dbraw/zinc/59/44/83/455594483.db2.gz KKRAAXLNCLMORY-UHFFFAOYSA-N 2 0 345.535 3.415 20 0 EGADRP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247396504 455595376 /nfs/dbraw/zinc/59/53/76/455595376.db2.gz QWDJIDVLYPCDOF-APWZRJJASA-N 2 0 337.458 3.128 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)cc2)CCCO1 ZINC000277623215 455616939 /nfs/dbraw/zinc/61/69/39/455616939.db2.gz BOXPDYJAQINSMX-AWEZNQCLSA-N 2 0 341.293 3.040 20 0 EGADRP COCc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)o1 ZINC000283989543 455620168 /nfs/dbraw/zinc/62/01/68/455620168.db2.gz LYDGEFGJCWCQKF-UHFFFAOYSA-N 2 0 344.455 3.189 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247890598 455652505 /nfs/dbraw/zinc/65/25/05/455652505.db2.gz FGLJMFGZZARGPQ-YYWHXJBOSA-N 2 0 345.531 3.152 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000247968197 455661172 /nfs/dbraw/zinc/66/11/72/455661172.db2.gz IOUDAQNYSZVOPJ-TZIWHRDSSA-N 2 0 344.547 3.004 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccn1 ZINC000284338898 455670730 /nfs/dbraw/zinc/67/07/30/455670730.db2.gz LIGMIBDABGQUCC-INIZCTEOSA-N 2 0 325.456 3.405 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC)C23CCC3)[C@H](C)C1 ZINC000248136837 455686691 /nfs/dbraw/zinc/68/66/91/455686691.db2.gz PDZYZJORDDQKSD-FCGDIQPGSA-N 2 0 338.536 3.061 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000284527207 455700816 /nfs/dbraw/zinc/70/08/16/455700816.db2.gz UWOGKIGXXPTJND-INIZCTEOSA-N 2 0 325.456 3.405 20 0 EGADRP COc1ccncc1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000292596036 455707378 /nfs/dbraw/zinc/70/73/78/455707378.db2.gz GXFTUQVDIDISHS-UHFFFAOYSA-N 2 0 343.446 3.026 20 0 EGADRP CC(C)n1cc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000268924578 455731482 /nfs/dbraw/zinc/73/14/82/455731482.db2.gz XQQWRJCDMVCFFX-QGZVFWFLSA-N 2 0 344.503 3.298 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186318687 455742440 /nfs/dbraw/zinc/74/24/40/455742440.db2.gz LEPHFNCOHBCJCF-JKSUJKDBSA-N 2 0 338.565 3.191 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cnc2ccsc2c1 ZINC000268959945 455745371 /nfs/dbraw/zinc/74/53/71/455745371.db2.gz XCGGGLDTUBOVGH-HOCLYGCPSA-N 2 0 333.501 3.184 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCC4OCCCO4)CC[C@H]32)cc1 ZINC000268975823 455750718 /nfs/dbraw/zinc/75/07/18/455750718.db2.gz JDBKGKSEYKCGSN-VQTJNVASSA-N 2 0 344.499 3.126 20 0 EGADRP COC(=O)c1cc([C@@H](C)N2CCC[C@@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778883 455755730 /nfs/dbraw/zinc/75/57/30/455755730.db2.gz YYIVBUPLQACKAE-GDBMZVCRSA-N 2 0 334.460 3.386 20 0 EGADRP C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000269045476 455775151 /nfs/dbraw/zinc/77/51/51/455775151.db2.gz UZVMMGYDRJOESB-QGZVFWFLSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@@H+]1C ZINC000186570058 455795584 /nfs/dbraw/zinc/79/55/84/455795584.db2.gz GAQWAEWRBQVARI-COXVUDFISA-N 2 0 343.437 3.380 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000269185835 455807475 /nfs/dbraw/zinc/80/74/75/455807475.db2.gz SOJMGNIKPQJZJE-KRWDZBQOSA-N 2 0 345.512 3.363 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000285250641 455812505 /nfs/dbraw/zinc/81/25/05/455812505.db2.gz ANFKCZVVKAHFRB-MRXNPFEDSA-N 2 0 326.488 3.250 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C2CCC2)cc1 ZINC000187168281 455876418 /nfs/dbraw/zinc/87/64/18/455876418.db2.gz WRZISLHRMXBUFZ-OAQYLSRUSA-N 2 0 329.532 3.453 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000285602388 455879708 /nfs/dbraw/zinc/87/97/08/455879708.db2.gz YHVNIOKTXIBJDB-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000261605135 455911394 /nfs/dbraw/zinc/91/13/94/455911394.db2.gz AEFAIUQPSDQPQH-GXTWGEPZSA-N 2 0 328.403 3.103 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)[C@@H]2CCCC[C@H]12 ZINC000261638279 455919188 /nfs/dbraw/zinc/91/91/88/455919188.db2.gz FLRSYXPZHWQLTO-ORFRNNEJSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000285830117 455924222 /nfs/dbraw/zinc/92/42/22/455924222.db2.gz WWYIYAHPLGGEBZ-AWEZNQCLSA-N 2 0 327.476 3.227 20 0 EGADRP COc1cccc([C@H](CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)[NH+](C)C)c1 ZINC000261753493 455940798 /nfs/dbraw/zinc/94/07/98/455940798.db2.gz UZGZVEGWHFKWRF-QRFRQXIXSA-N 2 0 333.520 3.198 20 0 EGADRP CCOC(=O)N1CCC([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000187698719 455940928 /nfs/dbraw/zinc/94/09/28/455940928.db2.gz ZXXGZYCKUFCHCK-OAHLLOKOSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)N1CC[NH+](C2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000270451034 455958060 /nfs/dbraw/zinc/95/80/60/455958060.db2.gz INRWZWWIZHIOJJ-UHFFFAOYSA-N 2 0 338.499 3.230 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC000286014724 455960465 /nfs/dbraw/zinc/96/04/65/455960465.db2.gz PNUFUVDLBZBHHV-NRFANRHFSA-N 2 0 327.516 3.069 20 0 EGADRP OC[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000272476436 455963918 /nfs/dbraw/zinc/96/39/18/455963918.db2.gz AKEQNYXWOIWWOJ-GXRSIYKFSA-N 2 0 336.479 3.220 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000261990156 455982883 /nfs/dbraw/zinc/98/28/83/455982883.db2.gz LLGQZUAYXKABCB-UHFFFAOYSA-N 2 0 330.394 3.406 20 0 EGADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(OC(F)F)c1 ZINC000272529452 455983809 /nfs/dbraw/zinc/98/38/09/455983809.db2.gz JUQFTAQPGCNXIZ-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272633983 456021051 /nfs/dbraw/zinc/02/10/51/456021051.db2.gz BJYXKMCRMNAHLK-FYZZASKESA-N 2 0 330.516 3.285 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCCC1)c1ccccc1 ZINC000262383705 456031028 /nfs/dbraw/zinc/03/10/28/456031028.db2.gz OHPNZQDADYFMNH-SCTDSRPQSA-N 2 0 343.515 3.154 20 0 EGADRP CCOc1c(OC)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000222089979 456045370 /nfs/dbraw/zinc/04/53/70/456045370.db2.gz MHXGFRYENPQOEG-IRXDYDNUSA-N 2 0 348.487 3.019 20 0 EGADRP [NH3+]C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccc2ccccc2c1 ZINC000262732342 456055562 /nfs/dbraw/zinc/05/55/62/456055562.db2.gz ICNFDKWGKAVPEP-IBGZPJMESA-N 2 0 339.483 3.255 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccsc1 ZINC000296890452 456061669 /nfs/dbraw/zinc/06/16/69/456061669.db2.gz ONNRHTKGOVNIGI-SFHVURJKSA-N 2 0 345.512 3.280 20 0 EGADRP Cc1nc2ccccc2n1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000271004672 456093843 /nfs/dbraw/zinc/09/38/43/456093843.db2.gz KWLJSHVKVJASGN-ZWKOTPCHSA-N 2 0 326.488 3.293 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263177691 456105311 /nfs/dbraw/zinc/10/53/11/456105311.db2.gz GIRJUPHXWSFRPN-AZUAARDMSA-N 2 0 331.504 3.052 20 0 EGADRP CC[N@H+](CCOc1ccc(Br)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226438947 456110712 /nfs/dbraw/zinc/11/07/12/456110712.db2.gz OPXQQNLJOVHWFN-AWEZNQCLSA-N 2 0 341.293 3.149 20 0 EGADRP Cc1nc2c(c(N3CCN(Cc4cccs4)CC3)n1)CCCC2 ZINC000301547052 456143778 /nfs/dbraw/zinc/14/37/78/456143778.db2.gz FJXUGUHDMLITJS-UHFFFAOYSA-N 2 0 328.485 3.048 20 0 EGADRP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000281203924 456163717 /nfs/dbraw/zinc/16/37/17/456163717.db2.gz JFXFGGMJNNUWOT-OYRHEFFESA-N 2 0 338.499 3.336 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)c2cccs2)CC1 ZINC000236652839 456163978 /nfs/dbraw/zinc/16/39/78/456163978.db2.gz HDALNMIPRIZHMY-QFBILLFUSA-N 2 0 349.544 3.170 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)c2cccs2)CC1 ZINC000236653698 456164156 /nfs/dbraw/zinc/16/41/56/456164156.db2.gz HDALNMIPRIZHMY-LPHOPBHVSA-N 2 0 349.544 3.170 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)c2ccc(C[NH3+])o2)c2cccs2)CC1 ZINC000236662136 456165771 /nfs/dbraw/zinc/16/57/71/456165771.db2.gz CFDMTEUNLPSAMD-OAHLLOKOSA-N 2 0 347.484 3.003 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333191000 456174346 /nfs/dbraw/zinc/17/43/46/456174346.db2.gz UZWQIOIXEVKJAU-HOTGVXAUSA-N 2 0 337.533 3.159 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000236727794 456176479 /nfs/dbraw/zinc/17/64/79/456176479.db2.gz SGNOCJIFEIXGCX-OAQYLSRUSA-N 2 0 345.531 3.315 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236778846 456182319 /nfs/dbraw/zinc/18/23/19/456182319.db2.gz LKKPTNQFGIFEBJ-QFBILLFUSA-N 2 0 331.504 3.195 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273144444 456191488 /nfs/dbraw/zinc/19/14/88/456191488.db2.gz FZLXOAMUFXXASG-QGZVFWFLSA-N 2 0 334.504 3.464 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1)C(C)C ZINC000236992588 456215026 /nfs/dbraw/zinc/21/50/26/456215026.db2.gz OTUWDNZWNFTZNC-VQIMIIECSA-N 2 0 331.504 3.259 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000237085463 456230149 /nfs/dbraw/zinc/23/01/49/456230149.db2.gz VPWFWRWKRVLZGV-CRAIPNDOSA-N 2 0 337.533 3.156 20 0 EGADRP Cc1ccc([C@@H](CNc2nc3ccccc3[nH]2)N2CCOCC2)cc1 ZINC000301897310 456245282 /nfs/dbraw/zinc/24/52/82/456245282.db2.gz VNOATQXXIDVRLL-LJQANCHMSA-N 2 0 336.439 3.357 20 0 EGADRP COCCOCc1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000290165631 456257094 /nfs/dbraw/zinc/25/70/94/456257094.db2.gz XYWCSCFLAMFIQX-HXUWFJFHSA-N 2 0 334.504 3.156 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1(C)C ZINC000290266291 456277064 /nfs/dbraw/zinc/27/70/64/456277064.db2.gz LDBGBGBWIBSFAZ-IBGZPJMESA-N 2 0 340.515 3.161 20 0 EGADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000340172833 456289712 /nfs/dbraw/zinc/28/97/12/456289712.db2.gz WEKQRVURTSTDLB-BBWFWOEESA-N 2 0 334.504 3.199 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000347676428 456298257 /nfs/dbraw/zinc/29/82/57/456298257.db2.gz VNABEVXQJHXYGQ-SFHVURJKSA-N 2 0 340.556 3.059 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000347685661 456305841 /nfs/dbraw/zinc/30/58/41/456305841.db2.gz HRTFICPJASGILO-QZTJIDSGSA-N 2 0 340.556 3.057 20 0 EGADRP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336794077 456311064 /nfs/dbraw/zinc/31/10/64/456311064.db2.gz ZOBUPBPIJXZNIY-LJQANCHMSA-N 2 0 334.467 3.254 20 0 EGADRP NC(=O)c1c[nH+]ccc1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000302232984 456324869 /nfs/dbraw/zinc/32/48/69/456324869.db2.gz STUHJZRXIZEKRV-UHFFFAOYSA-N 2 0 338.455 3.169 20 0 EGADRP CC(C)C[C@@H](NC(=O)CN(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337268261 456342466 /nfs/dbraw/zinc/34/24/66/456342466.db2.gz JYBTXFZFZUITMU-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000298054997 456355104 /nfs/dbraw/zinc/35/51/04/456355104.db2.gz JGRSNNNNJIWJKZ-UONOGXRCSA-N 2 0 328.464 3.033 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC23CCCC3)cc1 ZINC000340301616 456371941 /nfs/dbraw/zinc/37/19/41/456371941.db2.gz NHYLKJQTWBPPQO-LJQANCHMSA-N 2 0 343.515 3.181 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1(C)C ZINC000282054556 456401697 /nfs/dbraw/zinc/40/16/97/456401697.db2.gz BEMWZTFMHFFBLP-UHFFFAOYSA-N 2 0 345.462 3.201 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000276237643 456420099 /nfs/dbraw/zinc/42/00/99/456420099.db2.gz OWLKTZHLQGBMOM-UHFFFAOYSA-N 2 0 333.520 3.332 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000298309293 456420846 /nfs/dbraw/zinc/42/08/46/456420846.db2.gz HUCZHVAJPRUUTF-UHFFFAOYSA-N 2 0 332.517 3.403 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000282144961 456424904 /nfs/dbraw/zinc/42/49/04/456424904.db2.gz ZWVIIFSYZHBONG-QGZVFWFLSA-N 2 0 344.421 3.144 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1(C)C ZINC000282152501 456427243 /nfs/dbraw/zinc/42/72/43/456427243.db2.gz CUUIXJDTFWPLEE-SFHVURJKSA-N 2 0 343.515 3.049 20 0 EGADRP C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347957013 456428838 /nfs/dbraw/zinc/42/88/38/456428838.db2.gz MXXBEOGWYUQEOM-YGKZAACZSA-N 2 0 334.529 3.037 20 0 EGADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC[N@H+](C)C(C)C ZINC000343156021 456440003 /nfs/dbraw/zinc/44/00/03/456440003.db2.gz WXNAUCQKFYLJOQ-UHFFFAOYSA-N 2 0 348.443 3.048 20 0 EGADRP c1cc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)ccn1 ZINC000340413323 456444806 /nfs/dbraw/zinc/44/48/06/456444806.db2.gz DAXWCWUOOYVEGB-VQTJNVASSA-N 2 0 337.467 3.377 20 0 EGADRP c1cc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)ccn1 ZINC000340413324 456445440 /nfs/dbraw/zinc/44/54/40/456445440.db2.gz DAXWCWUOOYVEGB-WOJBJXKFSA-N 2 0 337.467 3.377 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000303598937 456469932 /nfs/dbraw/zinc/46/99/32/456469932.db2.gz UQUFPNNMXOTVGR-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479843 456484459 /nfs/dbraw/zinc/48/44/59/456484459.db2.gz NGDOKOUFRXFLIU-PZJWPPBQSA-N 2 0 344.547 3.148 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000340471071 456478417 /nfs/dbraw/zinc/47/84/17/456478417.db2.gz BGILTYKKEIVOBV-OAQYLSRUSA-N 2 0 340.515 3.410 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000303741442 456481332 /nfs/dbraw/zinc/48/13/32/456481332.db2.gz ZFYILAYJYSHYSD-LJQANCHMSA-N 2 0 330.520 3.106 20 0 EGADRP CCOC(CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)OCC ZINC000276518255 456503330 /nfs/dbraw/zinc/50/33/30/456503330.db2.gz LWYXIUBMZGWNGM-MRXNPFEDSA-N 2 0 338.492 3.067 20 0 EGADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340519226 456505245 /nfs/dbraw/zinc/50/52/45/456505245.db2.gz VIYCLXWCDZIVBC-IAGOWNOFSA-N 2 0 346.544 3.270 20 0 EGADRP COCCOC[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340538280 456520023 /nfs/dbraw/zinc/52/00/23/456520023.db2.gz WFGCFODLTYAMEZ-KKXNLOMOSA-N 2 0 334.504 3.071 20 0 EGADRP CCOC1CC(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000276595872 456524852 /nfs/dbraw/zinc/52/48/52/456524852.db2.gz JTKSUILBFPYENW-VXESANQCSA-N 2 0 334.504 3.483 20 0 EGADRP COc1ccc(F)cc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000291105238 456530555 /nfs/dbraw/zinc/53/05/55/456530555.db2.gz BJJZQPFQXLYOSC-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP CSC1(C[NH2+]Cc2csc(C(C)(C)C)n2)CC[NH+](C)CC1 ZINC000353188812 456547924 /nfs/dbraw/zinc/54/79/24/456547924.db2.gz MHQBGRHTJOADAH-UHFFFAOYSA-N 2 0 327.563 3.358 20 0 EGADRP CO[C@@]1(C)CCC[NH+](CCCCC[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348227704 456548358 /nfs/dbraw/zinc/54/83/58/456548358.db2.gz FFQASIPGSDZCJA-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP CSC1(C[NH2+]Cc2cn(C)nc2-c2ccccc2)CC[NH+](C)CC1 ZINC000353216029 456566865 /nfs/dbraw/zinc/56/68/65/456566865.db2.gz GEXCGWKPAMHUSJ-UHFFFAOYSA-N 2 0 344.528 3.004 20 0 EGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000282614084 456569699 /nfs/dbraw/zinc/56/96/99/456569699.db2.gz IZMTWUBXXOMQCO-UHFFFAOYSA-N 2 0 349.482 3.236 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)c2cc1OC ZINC000298924575 456570064 /nfs/dbraw/zinc/57/00/64/456570064.db2.gz OXPBGIDIQRNRQU-FQEVSTJZSA-N 2 0 341.455 3.174 20 0 EGADRP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310978904 456586271 /nfs/dbraw/zinc/58/62/71/456586271.db2.gz DQIRBTAIBUCJRL-RBUKOAKNSA-N 2 0 344.499 3.172 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000353260327 456593981 /nfs/dbraw/zinc/59/39/81/456593981.db2.gz OOQDFHJKCSERPK-QZTJIDSGSA-N 2 0 343.515 3.275 20 0 EGADRP Cn1cc(CCC[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000314059205 456600174 /nfs/dbraw/zinc/60/01/74/456600174.db2.gz YBSYIZSGTCBWLT-HXUWFJFHSA-N 2 0 340.515 3.245 20 0 EGADRP CCCOc1cccc(CN2CCN(c3cc(OC)ccn3)CC2)c1 ZINC000353283693 456609609 /nfs/dbraw/zinc/60/96/09/456609609.db2.gz AMCKVFDFQMLXNU-UHFFFAOYSA-N 2 0 341.455 3.201 20 0 EGADRP COC1(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)CCOCC1 ZINC000277126543 456690271 /nfs/dbraw/zinc/69/02/71/456690271.db2.gz ZKTPBHXDPMHOLM-UHFFFAOYSA-N 2 0 346.515 3.204 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000343581751 456721992 /nfs/dbraw/zinc/72/19/92/456721992.db2.gz ONRMNYHBZGWJQP-TVRKMHQQSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)ccn1 ZINC000277215076 456727510 /nfs/dbraw/zinc/72/75/10/456727510.db2.gz KRACZPJWJNGZEW-HOTGVXAUSA-N 2 0 337.533 3.032 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000291712572 456730157 /nfs/dbraw/zinc/73/01/57/456730157.db2.gz ZZJLVZPSLNCZLM-SFHVURJKSA-N 2 0 349.482 3.348 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1)C(C)C ZINC000343596395 456732249 /nfs/dbraw/zinc/73/22/49/456732249.db2.gz BOJYBAHJEUBDCA-UHFFFAOYSA-N 2 0 345.531 3.412 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000283194072 456733142 /nfs/dbraw/zinc/73/31/42/456733142.db2.gz KVXGNYVIDDWKCA-CDHQVMDDSA-N 2 0 342.483 3.242 20 0 EGADRP CN(CCC[N@H+](C)CCC(=O)Nc1ccc(F)cc1)Cc1ccco1 ZINC000353544107 456747079 /nfs/dbraw/zinc/74/70/79/456747079.db2.gz ANDLJKKBRZQWFI-UHFFFAOYSA-N 2 0 347.434 3.201 20 0 EGADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353616518 456806104 /nfs/dbraw/zinc/80/61/04/456806104.db2.gz AVSSHVYQKVNQPK-HLAWJBBLSA-N 2 0 338.499 3.499 20 0 EGADRP CSC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC[NH+](C)CC1 ZINC000353631360 456816220 /nfs/dbraw/zinc/81/62/20/456816220.db2.gz PRZBUENUFSMGQR-UHFFFAOYSA-N 3 0 339.593 3.201 20 0 EGADRP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccnn2C)c1 ZINC000338437715 456820146 /nfs/dbraw/zinc/82/01/46/456820146.db2.gz PWDSYHGXUFLFPC-UHFFFAOYSA-N 2 0 338.499 3.360 20 0 EGADRP CO[C@H](C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000338545313 456838754 /nfs/dbraw/zinc/83/87/54/456838754.db2.gz AFBTYYXXELNCQE-DBXWQHBBSA-N 2 0 346.515 3.195 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000344777355 456858524 /nfs/dbraw/zinc/85/85/24/456858524.db2.gz UNOSJSWHQNCKCZ-LTMIRXACSA-N 2 0 336.545 3.414 20 0 EGADRP C[C@H]1CCC[C@@](C[NH2+]C2CCN(Cc3ccccn3)CC2)(N(C)C)C1 ZINC000341512391 456872122 /nfs/dbraw/zinc/87/21/22/456872122.db2.gz SHXHJQJMYZDLKO-GHTZIAJQSA-N 2 0 344.547 3.146 20 0 EGADRP CC(C)CCn1cccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000349303897 456937512 /nfs/dbraw/zinc/93/75/12/456937512.db2.gz ZJYWMLHPJOPHHJ-LJQANCHMSA-N 2 0 346.563 3.135 20 0 EGADRP CC[N@@H+]1CC[C@H](N[C@@H](CC[NH+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155693 456945540 /nfs/dbraw/zinc/94/55/40/456945540.db2.gz CTFJDFGVRLDDJY-JBACZVJFSA-N 2 0 347.547 3.016 20 0 EGADRP C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000353885965 456951390 /nfs/dbraw/zinc/95/13/90/456951390.db2.gz UZVCCEQWCVKWMU-DNVCBOLYSA-N 2 0 342.487 3.162 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000353948362 456975978 /nfs/dbraw/zinc/97/59/78/456975978.db2.gz UGQNHUJGDPJGQZ-AAEUAGOBSA-N 2 0 332.366 3.024 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCN1Cc1ccccc1)CC(C)C ZINC000345679579 456988121 /nfs/dbraw/zinc/98/81/21/456988121.db2.gz CUMYWDZMICVKQY-WOJBJXKFSA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000346614370 457080656 /nfs/dbraw/zinc/08/06/56/457080656.db2.gz VBMHOTCBMHIATB-RZQQEMMASA-N 2 0 349.494 3.186 20 0 EGADRP COC1CCC([NH+](C)CC(C)C[N@@H+](C)C2CCC(OC)CC2)CC1 ZINC000346637906 457084756 /nfs/dbraw/zinc/08/47/56/457084756.db2.gz FAHXOZDLBWMJEK-UHFFFAOYSA-N 2 0 340.552 3.401 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000346639331 457085223 /nfs/dbraw/zinc/08/52/23/457085223.db2.gz JYIKXNMUSPOFDX-UHFFFAOYSA-N 2 0 332.879 3.347 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]21 ZINC000342088851 457102790 /nfs/dbraw/zinc/10/27/90/457102790.db2.gz ASPAACHHPZOBOR-SESVDKBCSA-N 2 0 349.478 3.498 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000356686461 457118417 /nfs/dbraw/zinc/11/84/17/457118417.db2.gz XDHRJGRJZJJOST-MRXNPFEDSA-N 2 0 343.515 3.033 20 0 EGADRP O[C@@H](C[NH2+]CCCCc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000354198534 457124460 /nfs/dbraw/zinc/12/44/60/457124460.db2.gz JGUJLRBJFOXUOY-KRWDZBQOSA-N 2 0 344.421 3.074 20 0 EGADRP CN(Cc1cc(Br)ccc1OC(F)F)[C@H](C[NH3+])C1CC1 ZINC000359910351 457143425 /nfs/dbraw/zinc/14/34/25/457143425.db2.gz JGGDWJFNKLYOHF-GFCCVEGCSA-N 2 0 349.219 3.220 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000359910808 457143474 /nfs/dbraw/zinc/14/34/74/457143474.db2.gz LNFMVWJHUIZZCI-LQWHRVPQSA-N 2 0 329.532 3.348 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000354272770 457167328 /nfs/dbraw/zinc/16/73/28/457167328.db2.gz QOEJSEMIJXVTBW-PXNSSMCTSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346825169 457178477 /nfs/dbraw/zinc/17/84/77/457178477.db2.gz ATYFEWGYCMFJSX-DOPJRALCSA-N 2 0 330.863 3.003 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360030982 457214478 /nfs/dbraw/zinc/21/44/78/457214478.db2.gz YKDCKGKHMLJJMO-IMJJTQAJSA-N 2 0 327.472 3.194 20 0 EGADRP CC(C)N1CCC[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000357008154 457272694 /nfs/dbraw/zinc/27/26/94/457272694.db2.gz DXCNTEDSBPWXGX-ICSRJNTNSA-N 2 0 349.563 3.362 20 0 EGADRP CCOC1CC([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000342558319 457365921 /nfs/dbraw/zinc/36/59/21/457365921.db2.gz QLNBIMSONFBTRW-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP c1cnc2c(c1)cccc2C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363593716 457374988 /nfs/dbraw/zinc/37/49/88/457374988.db2.gz QFXSXJIHYZLWFZ-UHFFFAOYSA-N 2 0 339.483 3.169 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000378249654 457384735 /nfs/dbraw/zinc/38/47/35/457384735.db2.gz YAZNQENQYBATQZ-OXJNMPFZSA-N 2 0 347.934 3.428 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382730489 457423719 /nfs/dbraw/zinc/42/37/19/457423719.db2.gz ANAVXDGFVROXOW-ICSRJNTNSA-N 2 0 345.531 3.121 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000385474104 457428967 /nfs/dbraw/zinc/42/89/67/457428967.db2.gz AUVHWJHGZXMHEX-GXRSIYKFSA-N 3 0 341.543 3.409 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073562 457468275 /nfs/dbraw/zinc/46/82/75/457468275.db2.gz BERVVLBJHNCHKD-MRXNPFEDSA-N 2 0 347.478 3.269 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342724775 457479903 /nfs/dbraw/zinc/47/99/03/457479903.db2.gz HIYCEVKWBVILLZ-TXPKVOOTSA-N 2 0 329.488 3.388 20 0 EGADRP COc1cc2cc[nH+]c(N[C@@H](C)C3CC[NH+](C)CC3)c2cc1OC ZINC000396460591 457481248 /nfs/dbraw/zinc/48/12/48/457481248.db2.gz DWMDCAVQXMENDY-ZDUSSCGKSA-N 2 0 329.444 3.394 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCCC[NH+]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000356165351 457499804 /nfs/dbraw/zinc/49/98/04/457499804.db2.gz HRYWAEHPWWOHEL-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347563268 457511066 /nfs/dbraw/zinc/51/10/66/457511066.db2.gz IEUUUTSEMHJSRZ-MJGOQNOKSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000374241685 457541353 /nfs/dbraw/zinc/54/13/53/457541353.db2.gz OSLDZFYVKWJMHB-RTBURBONSA-N 2 0 344.547 3.032 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000357502102 457567065 /nfs/dbraw/zinc/56/70/65/457567065.db2.gz QXNWQOBJOAKXDX-IRXDYDNUSA-N 2 0 333.476 3.177 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000364346419 457571899 /nfs/dbraw/zinc/57/18/99/457571899.db2.gz YXZWYFCJINIXTK-DUXKGJEZSA-N 2 0 330.516 3.223 20 0 EGADRP COCC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000425937038 457656236 /nfs/dbraw/zinc/65/62/36/457656236.db2.gz PJFGVSHWACTIKN-IEBWSBKVSA-N 2 0 338.536 3.062 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)C2)CC1 ZINC000364661455 457668938 /nfs/dbraw/zinc/66/89/38/457668938.db2.gz POSPVEUBQJPGEY-HKBOAZHASA-N 2 0 341.543 3.156 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cnc2ccsc2c1 ZINC000370634349 457687312 /nfs/dbraw/zinc/68/73/12/457687312.db2.gz LCMROXLNRCHPKL-GOEBONIOSA-N 2 0 344.528 3.115 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2n1 ZINC000370637619 457688780 /nfs/dbraw/zinc/68/87/80/457688780.db2.gz VDUNWHSRVVLKFS-AEFFLSMTSA-N 2 0 338.499 3.054 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000357789083 457690097 /nfs/dbraw/zinc/69/00/97/457690097.db2.gz JPUYHWLZOYQFAT-UTKZUKDTSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000357792313 457691779 /nfs/dbraw/zinc/69/17/79/457691779.db2.gz KAOLJPSHBNBNMA-BEFAXECRSA-N 2 0 327.472 3.477 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000357804759 457696290 /nfs/dbraw/zinc/69/62/90/457696290.db2.gz MHWAKMSOMNXNKT-QGZVFWFLSA-N 2 0 331.504 3.019 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000370683324 457700057 /nfs/dbraw/zinc/70/00/57/457700057.db2.gz JGHLCCMPIWMIRQ-URVUXULASA-N 2 0 341.543 3.255 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000357829862 457703795 /nfs/dbraw/zinc/70/37/95/457703795.db2.gz OSFNPCGEMSUCLD-GOSISDBHSA-N 2 0 345.531 3.408 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[NH+](C)C ZINC000357856036 457713959 /nfs/dbraw/zinc/71/39/59/457713959.db2.gz DXAKEKSSUJZISP-VKESLTNKSA-N 2 0 345.531 3.364 20 0 EGADRP CC(C)[NH+](CCCCC[N@@H+](C(C)C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361409234 457721393 /nfs/dbraw/zinc/72/13/93/457721393.db2.gz UFCHNASVGYSJLA-OALUTQOASA-N 2 0 326.525 3.155 20 0 EGADRP Cc1ccc2cc([C@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)oc2c1 ZINC000426025660 457760802 /nfs/dbraw/zinc/76/08/02/457760802.db2.gz XMMIGUBDPNJMJT-IRXDYDNUSA-N 2 0 329.488 3.275 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000433126846 457762430 /nfs/dbraw/zinc/76/24/30/457762430.db2.gz FCZBLXBRWQZIGP-UHFFFAOYSA-N 2 0 345.487 3.150 20 0 EGADRP CC(C)OC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126910 457762539 /nfs/dbraw/zinc/76/25/39/457762539.db2.gz FMUZSTPOUJWDLJ-UHFFFAOYSA-N 2 0 344.499 3.316 20 0 EGADRP CCCCOc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433151504 457766091 /nfs/dbraw/zinc/76/60/91/457766091.db2.gz NYYMNBXSXKNZAV-UHFFFAOYSA-N 2 0 333.476 3.007 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000371159007 457812279 /nfs/dbraw/zinc/81/22/79/457812279.db2.gz YQHGZHWSDGFDDX-UHFFFAOYSA-N 3 0 329.532 3.315 20 0 EGADRP O=C(NCCC[NH+]1CCCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411187014 457824133 /nfs/dbraw/zinc/82/41/33/457824133.db2.gz JYADSCNDUHBTOE-UHFFFAOYSA-N 2 0 343.515 3.278 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000361791515 457862068 /nfs/dbraw/zinc/86/20/68/457862068.db2.gz ZTOJQFDHJUIDSU-ZWKOTPCHSA-N 2 0 340.556 3.010 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([C@H]4C[C@H]4C)o3)C2)CC1 ZINC000371333653 457872601 /nfs/dbraw/zinc/87/26/01/457872601.db2.gz FBCDZAWOFYAZLS-LMMKCTJWSA-N 2 0 331.504 3.003 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000375304582 457874893 /nfs/dbraw/zinc/87/48/93/457874893.db2.gz WQTHMBKVTICGHG-INIZCTEOSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000358238187 457878266 /nfs/dbraw/zinc/87/82/66/457878266.db2.gz MKKQIGKLVCQSBI-JYBIWHBTSA-N 2 0 345.531 3.475 20 0 EGADRP CC(C)CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000411488608 457900760 /nfs/dbraw/zinc/90/07/60/457900760.db2.gz LLAYHVVSKAZBOE-SFHVURJKSA-N 2 0 339.568 3.416 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2c(C)noc2C)[C@@H](C)C1 ZINC000358341377 457944877 /nfs/dbraw/zinc/94/48/77/457944877.db2.gz NGPGXFABZGONAA-MPGHIAIKSA-N 2 0 337.508 3.122 20 0 EGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000358407303 457984533 /nfs/dbraw/zinc/98/45/33/457984533.db2.gz UAYNCFPRGNZBGM-VQIMIIECSA-N 2 0 330.520 3.435 20 0 EGADRP Cn1ncc2c1CCC[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000411852057 457992413 /nfs/dbraw/zinc/99/24/13/457992413.db2.gz LTZYGHNXCNYKLT-UHFFFAOYSA-N 2 0 338.499 3.354 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000362025925 458012129 /nfs/dbraw/zinc/01/21/29/458012129.db2.gz LNSDLAACHJCLPD-YJBOKZPZSA-N 2 0 332.492 3.085 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000434623936 458024715 /nfs/dbraw/zinc/02/47/15/458024715.db2.gz OCGFTFXYINABGI-HXUWFJFHSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000434668860 458032417 /nfs/dbraw/zinc/03/24/17/458032417.db2.gz DIZIXQVWUFZOLA-FQEVSTJZSA-N 2 0 339.483 3.076 20 0 EGADRP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000368445619 458039019 /nfs/dbraw/zinc/03/90/19/458039019.db2.gz MPCAEAPXNUSEFX-CXIVCQEWSA-N 2 0 339.483 3.036 20 0 EGADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000358520537 458053303 /nfs/dbraw/zinc/05/33/03/458053303.db2.gz VVFQCDMJKZASOC-UHFFFAOYSA-N 2 0 346.862 3.008 20 0 EGADRP CSC[C@H](CCO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000375837078 458086719 /nfs/dbraw/zinc/08/67/19/458086719.db2.gz FXGASGNMVJIBOD-XBMUEBEBSA-N 2 0 336.545 3.133 20 0 EGADRP Cc1cccnc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000362342317 458115561 /nfs/dbraw/zinc/11/55/61/458115561.db2.gz QLVYWZZLDGMODS-UHFFFAOYSA-N 2 0 344.547 3.018 20 0 EGADRP CSc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375903575 458117329 /nfs/dbraw/zinc/11/73/29/458117329.db2.gz IEHUFUOWRWDRLN-GOSISDBHSA-N 2 0 333.545 3.009 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435370679 458121705 /nfs/dbraw/zinc/12/17/05/458121705.db2.gz QBWZECDJNADUPI-GOSISDBHSA-N 2 0 339.483 3.448 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000435372422 458122228 /nfs/dbraw/zinc/12/22/28/458122228.db2.gz APVOTJXZOQUZPQ-IUODEOHRSA-N 2 0 332.879 3.312 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000435371123 458122672 /nfs/dbraw/zinc/12/26/72/458122672.db2.gz SURXEYHRGYGXCB-UHFFFAOYSA-N 2 0 345.512 3.462 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373769 458125335 /nfs/dbraw/zinc/12/53/35/458125335.db2.gz FTYHTXMTJQFEFQ-OCCSQVGLSA-N 2 0 338.377 3.060 20 0 EGADRP CC(C)O[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000428366811 458128255 /nfs/dbraw/zinc/12/82/55/458128255.db2.gz ZSJWIZZIVPSMRL-XRXFAXGQSA-N 2 0 346.515 3.336 20 0 EGADRP CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435381602 458129891 /nfs/dbraw/zinc/12/98/91/458129891.db2.gz UXEYCXMGMNJIRG-KRWDZBQOSA-N 2 0 326.444 3.233 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1OCc1ccccc1 ZINC000435388076 458132840 /nfs/dbraw/zinc/13/28/40/458132840.db2.gz DYLKRCQJHVGQCS-UHFFFAOYSA-N 2 0 340.467 3.445 20 0 EGADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000435391662 458135996 /nfs/dbraw/zinc/13/59/96/458135996.db2.gz SZZMVTAZZJUKOD-GOSISDBHSA-N 2 0 339.483 3.319 20 0 EGADRP CC[C@@H]1C[C@H](C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)CCO1 ZINC000435441031 458148409 /nfs/dbraw/zinc/14/84/09/458148409.db2.gz CHVMTOICZSCTSA-IXDOHACOSA-N 2 0 337.533 3.068 20 0 EGADRP CC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435622622 458174203 /nfs/dbraw/zinc/17/42/03/458174203.db2.gz DWHNFULEDMDZGL-MRXNPFEDSA-N 2 0 348.878 3.397 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)ccc21 ZINC000412378346 458186471 /nfs/dbraw/zinc/18/64/71/458186471.db2.gz LXSCXSYCRPETBH-IEBWSBKVSA-N 2 0 329.488 3.439 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1C ZINC000435726761 458191008 /nfs/dbraw/zinc/19/10/08/458191008.db2.gz RUMWWKSPCISDTC-DKKFBQAASA-N 2 0 336.520 3.351 20 0 EGADRP C[NH2+]CCCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000435884986 458217857 /nfs/dbraw/zinc/21/78/57/458217857.db2.gz ZIGSWMFIDXYACY-LJQANCHMSA-N 2 0 346.496 3.322 20 0 EGADRP C[NH2+]CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000435877525 458218364 /nfs/dbraw/zinc/21/83/64/458218364.db2.gz RTBDMNSTMHONEF-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP CCOc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000362502613 458223980 /nfs/dbraw/zinc/22/39/80/458223980.db2.gz MNPGKIXNAOXJPP-WMZOPIPTSA-N 2 0 347.503 3.219 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362508497 458228690 /nfs/dbraw/zinc/22/86/90/458228690.db2.gz YHNSYRUSKMUICA-IRXDYDNUSA-N 2 0 347.503 3.219 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885475 458241507 /nfs/dbraw/zinc/24/15/07/458241507.db2.gz WYSSLMBKCYTWIU-UHFFFAOYSA-N 2 0 332.879 3.191 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C[C@H](C)O1 ZINC000436244879 458275395 /nfs/dbraw/zinc/27/53/95/458275395.db2.gz SFABASQGIZHJBH-GASCZTMLSA-N 2 0 333.451 3.286 20 0 EGADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000372330233 458279008 /nfs/dbraw/zinc/27/90/08/458279008.db2.gz FQPRYQYWXLEOEO-FPOVZHCZSA-N 2 0 329.532 3.070 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000447592021 458318044 /nfs/dbraw/zinc/31/80/44/458318044.db2.gz GGPAXLRGCBIVCI-HXUWFJFHSA-N 2 0 330.447 3.277 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000447603526 458320889 /nfs/dbraw/zinc/32/08/89/458320889.db2.gz XZQUMWSRYFAJGU-CQSZACIVSA-N 2 0 347.286 3.375 20 0 EGADRP Clc1cccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000459370621 458347011 /nfs/dbraw/zinc/34/70/11/458347011.db2.gz IXDWVXNYAOCWHG-UHFFFAOYSA-N 2 0 336.907 3.459 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1SC ZINC000459370934 458347974 /nfs/dbraw/zinc/34/79/74/458347974.db2.gz HVCFZHAZJFLELV-IGKNDFSCSA-N 2 0 328.566 3.243 20 0 EGADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459408914 458360963 /nfs/dbraw/zinc/36/09/63/458360963.db2.gz IWGSEIFPXNDUCI-QFBILLFUSA-N 2 0 331.504 3.481 20 0 EGADRP COCc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000459431954 458368683 /nfs/dbraw/zinc/36/86/83/458368683.db2.gz GDOYSJLHUUNSGU-FUHWJXTLSA-N 2 0 343.471 3.211 20 0 EGADRP CCCCCCNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000376714812 458374140 /nfs/dbraw/zinc/37/41/40/458374140.db2.gz GZFQYTFIZWWTLI-UHFFFAOYSA-N 2 0 346.519 3.354 20 0 EGADRP Cc1nccn1CCC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459509006 458395688 /nfs/dbraw/zinc/39/56/88/458395688.db2.gz BAFINLFLYJBXSO-UHFFFAOYSA-N 2 0 325.456 3.146 20 0 EGADRP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCCC1 ZINC000423483104 458439354 /nfs/dbraw/zinc/43/93/54/458439354.db2.gz YFNJIEJTNQJFCT-SXLOBPIMSA-N 2 0 334.479 3.314 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000423511204 458447586 /nfs/dbraw/zinc/44/75/86/458447586.db2.gz KATLOXQFLGNULM-CZUORRHYSA-N 2 0 330.303 3.184 20 0 EGADRP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423527327 458452833 /nfs/dbraw/zinc/45/28/33/458452833.db2.gz MHQNVTNMPNERQD-HGSOSGBHSA-N 2 0 349.522 3.242 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423537855 458455374 /nfs/dbraw/zinc/45/53/74/458455374.db2.gz LEJQSLCIROATBD-FDFHNCONSA-N 3 0 339.527 3.187 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000423544307 458455879 /nfs/dbraw/zinc/45/58/79/458455879.db2.gz INVAQIPFEXBDHM-BIQFIRCYSA-N 2 0 342.483 3.146 20 0 EGADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC(F)F ZINC000459722833 458456600 /nfs/dbraw/zinc/45/66/00/458456600.db2.gz CBNSBKMWICYYOF-ZDUSSCGKSA-N 2 0 328.403 3.118 20 0 EGADRP Cc1ccncc1[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423559847 458457082 /nfs/dbraw/zinc/45/70/82/458457082.db2.gz JGBWWGYQMLQUBX-GOSISDBHSA-N 2 0 338.499 3.034 20 0 EGADRP FC(F)C(F)(F)COCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000377085436 458457595 /nfs/dbraw/zinc/45/75/95/458457595.db2.gz ZGVDOGJLNIKSBY-UHFFFAOYSA-N 2 0 340.405 3.290 20 0 EGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430547638 458459975 /nfs/dbraw/zinc/45/99/75/458459975.db2.gz AAQOBYYNUBIWNS-HNNXBMFYSA-N 2 0 336.867 3.238 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000459741192 458464766 /nfs/dbraw/zinc/46/47/66/458464766.db2.gz VEVHEOPXSYNMNU-LJQANCHMSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423725522 458476357 /nfs/dbraw/zinc/47/63/57/458476357.db2.gz IQJQIANIVUUJCS-ZUVBDUPZSA-N 2 0 347.547 3.004 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423744340 458477545 /nfs/dbraw/zinc/47/75/45/458477545.db2.gz NWAGAFPABSTFDV-AZUAARDMSA-N 2 0 331.504 3.004 20 0 EGADRP COC[C@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@@H]1COC ZINC000452036851 458494048 /nfs/dbraw/zinc/49/40/48/458494048.db2.gz KMMUOGBDVZFAOE-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP CC[C@H](CN(CC)C(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000423854055 458498038 /nfs/dbraw/zinc/49/80/38/458498038.db2.gz UDPZKUMBNUJWGP-GOSISDBHSA-N 2 0 345.531 3.232 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000460139994 458502287 /nfs/dbraw/zinc/50/22/87/458502287.db2.gz QPLDETJVQUXHTQ-PKOBYXMFSA-N 2 0 348.535 3.017 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000430922447 458505813 /nfs/dbraw/zinc/50/58/13/458505813.db2.gz ALHMUXRQLRCRLU-GJZGRUSLSA-N 2 0 325.456 3.226 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000431013404 458516367 /nfs/dbraw/zinc/51/63/67/458516367.db2.gz FIVJRFXIURLIIU-MRXNPFEDSA-N 2 0 345.487 3.007 20 0 EGADRP CCC[N@H+](CCCc1nc(-c2ccccc2)no1)C1CC[NH2+]CC1 ZINC000431095783 458528694 /nfs/dbraw/zinc/52/86/94/458528694.db2.gz HEQIZECVHRINEG-UHFFFAOYSA-N 2 0 328.460 3.133 20 0 EGADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000493737887 458550116 /nfs/dbraw/zinc/55/01/16/458550116.db2.gz SPVDAGSHVBOQLH-IKVWTGGYSA-N 2 0 341.543 3.215 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000461214145 458551757 /nfs/dbraw/zinc/55/17/57/458551757.db2.gz RQERUNPQNFQPIQ-ZHALLVOQSA-N 2 0 348.535 3.014 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424145403 458570167 /nfs/dbraw/zinc/57/01/67/458570167.db2.gz NMFUNEXKBLYLES-OALUTQOASA-N 2 0 337.552 3.255 20 0 EGADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424189688 458581934 /nfs/dbraw/zinc/58/19/34/458581934.db2.gz DRUAXJAQNCDZIW-AZUAARDMSA-N 2 0 349.563 3.301 20 0 EGADRP CCc1cccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000469719780 458585404 /nfs/dbraw/zinc/58/54/04/458585404.db2.gz ANAMULJOJZJBHX-UHFFFAOYSA-N 2 0 329.532 3.239 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3OC2)[C@@H](C)C1 ZINC000493895501 458596062 /nfs/dbraw/zinc/59/60/62/458596062.db2.gz XMLQATNTQXCKQJ-IHPCNDPISA-N 2 0 346.515 3.107 20 0 EGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000493908900 458598840 /nfs/dbraw/zinc/59/88/40/458598840.db2.gz TUYXAVCUYDRRDI-UTKZUKDTSA-N 2 0 342.483 3.493 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424301959 458609473 /nfs/dbraw/zinc/60/94/73/458609473.db2.gz YMKIBBKEXFLYSM-CYBMUJFWSA-N 2 0 335.879 3.051 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424364662 458626390 /nfs/dbraw/zinc/62/63/90/458626390.db2.gz DVILLXKZZZUKDY-COLVAYQJSA-N 2 0 329.257 3.379 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cn(C)nc1-c1cccs1)CC[NH2+]CC2 ZINC000424368962 458626840 /nfs/dbraw/zinc/62/68/40/458626840.db2.gz AXXAWCXAXKENFM-CQSZACIVSA-N 2 0 330.501 3.113 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000424429118 458641642 /nfs/dbraw/zinc/64/16/42/458641642.db2.gz WACYMSMNKHMOSI-SFHVURJKSA-N 2 0 332.492 3.086 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790160 458652380 /nfs/dbraw/zinc/65/23/80/458652380.db2.gz QEUAUOOOACHWDT-KNQAVFIVSA-N 2 0 340.511 3.407 20 0 EGADRP C[NH+](C)CCOc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000546723051 458666428 /nfs/dbraw/zinc/66/64/28/458666428.db2.gz SOUSWYVLLWIVII-UHFFFAOYSA-N 2 0 347.503 3.220 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1(C)C ZINC000463005037 458670503 /nfs/dbraw/zinc/67/05/03/458670503.db2.gz CFTNVSFZSKRWJX-RTBURBONSA-N 2 0 334.504 3.309 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432249255 458705719 /nfs/dbraw/zinc/70/57/19/458705719.db2.gz CGZZHIMBGPCOAK-UHFFFAOYSA-N 2 0 337.316 3.380 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503865968 458726691 /nfs/dbraw/zinc/72/66/91/458726691.db2.gz YGJWBRBGVANDTI-HOJAQTOUSA-N 2 0 345.531 3.180 20 0 EGADRP Fc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000530239777 458727939 /nfs/dbraw/zinc/72/79/39/458727939.db2.gz HUKJMZSKBGINLC-HNNXBMFYSA-N 2 0 326.843 3.070 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000503989581 458735863 /nfs/dbraw/zinc/73/58/63/458735863.db2.gz VVAQXQILEFAISP-MSOLQXFVSA-N 2 0 340.556 3.010 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccccc1 ZINC000440197937 458791772 /nfs/dbraw/zinc/79/17/72/458791772.db2.gz FHPGIIDFQNSMMG-IBGZPJMESA-N 2 0 348.535 3.051 20 0 EGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440273343 458800051 /nfs/dbraw/zinc/80/00/51/458800051.db2.gz XPGIANPFFBEKCW-FQEVSTJZSA-N 2 0 347.547 3.307 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000473295899 458824425 /nfs/dbraw/zinc/82/44/25/458824425.db2.gz MGKRLNKPDXOFNB-RTBURBONSA-N 2 0 333.520 3.135 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000474801792 458902392 /nfs/dbraw/zinc/90/23/92/458902392.db2.gz ZIKHHLQQOLURKE-SPOLIRPYSA-N 2 0 338.536 3.454 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1Cl ZINC000519381531 458940999 /nfs/dbraw/zinc/94/09/99/458940999.db2.gz SQIUEKPBPSXQGD-CQSZACIVSA-N 2 0 325.884 3.343 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000556247236 458942248 /nfs/dbraw/zinc/94/22/48/458942248.db2.gz SNUUEOQHXYVLNZ-WMZOPIPTSA-N 2 0 325.456 3.263 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000566696045 458984655 /nfs/dbraw/zinc/98/46/55/458984655.db2.gz ZJIOZPVWGHOCOG-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000556816877 459015234 /nfs/dbraw/zinc/01/52/34/459015234.db2.gz ZOJIRGFQQNVEKB-OAQYLSRUSA-N 2 0 327.516 3.413 20 0 EGADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476975111 459024663 /nfs/dbraw/zinc/02/46/63/459024663.db2.gz QVBBMOHOJRRDOM-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000556952938 459036263 /nfs/dbraw/zinc/03/62/63/459036263.db2.gz ZVNQNYVNWPUFEV-FZMZJTMJSA-N 2 0 349.276 3.056 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442820947 459043520 /nfs/dbraw/zinc/04/35/20/459043520.db2.gz CIFAHRFQRAQULV-YQEWQEHLSA-N 2 0 330.463 3.168 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442868410 459046794 /nfs/dbraw/zinc/04/67/94/459046794.db2.gz CEQVQKGQYXJGNA-PMACEKPBSA-N 2 0 329.532 3.247 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C(C)(C)C2)cc1 ZINC000577529070 459048091 /nfs/dbraw/zinc/04/80/91/459048091.db2.gz OFFARPRKXNEZLS-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000532268139 459057679 /nfs/dbraw/zinc/05/76/79/459057679.db2.gz RBJGPOIDQFVLKZ-GOSISDBHSA-N 2 0 327.472 3.033 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443061067 459080458 /nfs/dbraw/zinc/08/04/58/459080458.db2.gz QUXMBZZWVJEOJK-LNLFQRSKSA-N 2 0 331.504 3.093 20 0 EGADRP CCOc1cc2c(cc1CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)O[C@H](C)C2 ZINC000532454883 459091825 /nfs/dbraw/zinc/09/18/25/459091825.db2.gz SSWCVMJMJXIBKR-HDMKZQKVSA-N 2 0 332.488 3.229 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000479066047 459120583 /nfs/dbraw/zinc/12/05/83/459120583.db2.gz VTGCGUARTQRDFW-IRXDYDNUSA-N 2 0 337.939 3.449 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000567647689 459138610 /nfs/dbraw/zinc/13/86/10/459138610.db2.gz LBJPYAMBKSTTFB-IPELMVKDSA-N 2 0 337.467 3.136 20 0 EGADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000567641629 459139240 /nfs/dbraw/zinc/13/92/40/459139240.db2.gz YWINGBRRBBCQND-GMVOTWDCSA-N 2 0 341.455 3.068 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)C1 ZINC000578143687 459153335 /nfs/dbraw/zinc/15/33/35/459153335.db2.gz YRJRFKJMIXSKAE-QZTJIDSGSA-N 2 0 341.430 3.438 20 0 EGADRP C[C@H]([N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000532928067 459161324 /nfs/dbraw/zinc/16/13/24/459161324.db2.gz FYOFRGPDYWPOEU-KRWDZBQOSA-N 2 0 345.531 3.265 20 0 EGADRP C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000594966615 459198011 /nfs/dbraw/zinc/19/80/11/459198011.db2.gz NJRVVRPIOYFCSH-NRJQMVOHSA-N 2 0 326.550 3.063 20 0 EGADRP CC(C)[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000480539571 459204028 /nfs/dbraw/zinc/20/40/28/459204028.db2.gz VRXKTIBTAPIQKL-RXVVDRJESA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000496479752 459207494 /nfs/dbraw/zinc/20/74/94/459207494.db2.gz YNOKYSCEHSPWEF-LSDHHAIUSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2ccc(Br)o2)C1 ZINC000480650423 459210667 /nfs/dbraw/zinc/21/06/67/459210667.db2.gz YMLFPFOLZLTGFN-CHWSQXEVSA-N 2 0 329.282 3.500 20 0 EGADRP COC1(C[NH2+]CCCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000480650856 459210888 /nfs/dbraw/zinc/21/08/88/459210888.db2.gz VNFRQRNYTBGVSW-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480725607 459216029 /nfs/dbraw/zinc/21/60/29/459216029.db2.gz YWQDGEBGDSYKOY-FCGDIQPGSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787102 459218236 /nfs/dbraw/zinc/21/82/36/459218236.db2.gz XBZZRQWUKJYSFP-IEBWSBKVSA-N 2 0 337.552 3.218 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000590786874 459218472 /nfs/dbraw/zinc/21/84/72/459218472.db2.gz FHIQTQQLKXFPCW-HXUWFJFHSA-N 2 0 348.531 3.095 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000480909844 459223493 /nfs/dbraw/zinc/22/34/93/459223493.db2.gz HIVNKMIUNQHBLN-VQTJNVASSA-N 2 0 345.531 3.106 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC1 ZINC000595063442 459233337 /nfs/dbraw/zinc/23/33/37/459233337.db2.gz AXKSUIGMYHFVSZ-VGYALHFDSA-N 2 0 340.577 3.309 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000568247081 459256489 /nfs/dbraw/zinc/25/64/89/459256489.db2.gz BBTCMOZSDXJNJJ-ZWKOTPCHSA-N 3 0 335.923 3.412 20 0 EGADRP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000481709843 459270550 /nfs/dbraw/zinc/27/05/50/459270550.db2.gz ASHQYPAVRHKXLZ-BBRMVZONSA-N 2 0 325.294 3.496 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000568391820 459280712 /nfs/dbraw/zinc/28/07/12/459280712.db2.gz PRIGDRUTWXHVPX-BEFAXECRSA-N 2 0 333.545 3.011 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496721274 459299340 /nfs/dbraw/zinc/29/93/40/459299340.db2.gz PEUUMRWGADTUJA-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000482999616 459334641 /nfs/dbraw/zinc/33/46/41/459334641.db2.gz MNOYVOABYONNKW-KRWDZBQOSA-N 2 0 340.556 3.061 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000524156074 459348494 /nfs/dbraw/zinc/34/84/94/459348494.db2.gz HBYRVQLFWTVANI-UHFFFAOYSA-N 2 0 335.467 3.207 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000582610144 459394994 /nfs/dbraw/zinc/39/49/94/459394994.db2.gz OSVRTPUOUVXIBR-DLBZAZTESA-N 2 0 347.503 3.253 20 0 EGADRP Cn1ccnc1-c1cccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000561165180 459427478 /nfs/dbraw/zinc/42/74/78/459427478.db2.gz CXLBJKOQHOCWEP-UHFFFAOYSA-N 2 0 348.450 3.444 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000569460258 459455983 /nfs/dbraw/zinc/45/59/83/459455983.db2.gz FQVBSRSCFFTMJJ-FQEVSTJZSA-N 2 0 337.467 3.399 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccn(C)n1 ZINC000541742378 459486688 /nfs/dbraw/zinc/48/66/88/459486688.db2.gz WTQFDQKEDNXLAB-QGZVFWFLSA-N 2 0 332.517 3.435 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000583138770 459489725 /nfs/dbraw/zinc/48/97/25/459489725.db2.gz IPZFDUCBCWEREG-OAQYLSRUSA-N 2 0 348.531 3.184 20 0 EGADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508650 /nfs/dbraw/zinc/50/86/50/459508650.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 2 0 341.543 3.219 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1C ZINC000569868656 459523485 /nfs/dbraw/zinc/52/34/85/459523485.db2.gz XGCFKCPCKFYWRI-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000486810462 459523545 /nfs/dbraw/zinc/52/35/45/459523545.db2.gz QZKLOUKLVOEFPC-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)CC1 ZINC000486802239 459524004 /nfs/dbraw/zinc/52/40/04/459524004.db2.gz WGYYTZQUDMWKED-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000526112787 459549452 /nfs/dbraw/zinc/54/94/52/459549452.db2.gz KWBJAUXOXBBTFA-UONOGXRCSA-N 2 0 342.409 3.366 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000497856987 459560179 /nfs/dbraw/zinc/56/01/79/459560179.db2.gz LNVXXHHSXSWKHW-BZSNNMDCSA-N 2 0 338.536 3.456 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000497867569 459561892 /nfs/dbraw/zinc/56/18/92/459561892.db2.gz KQJHDRIQHPILCN-BBWFWOEESA-N 2 0 326.525 3.454 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000498011436 459565110 /nfs/dbraw/zinc/56/51/10/459565110.db2.gz OTUCQYSCSRTLTN-FHWLQOOXSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000526974486 459569030 /nfs/dbraw/zinc/56/90/30/459569030.db2.gz GSGIIIDLCPWBAE-IRXDYDNUSA-N 2 0 337.939 3.449 20 0 EGADRP C[C@H](O)C[C@@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000562502980 459574458 /nfs/dbraw/zinc/57/44/58/459574458.db2.gz RUDMEVARRHQRNU-MUGJNUQGSA-N 2 0 340.552 3.017 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CCC2)o1 ZINC000542670758 459581477 /nfs/dbraw/zinc/58/14/77/459581477.db2.gz KHXMCZNQMSQPMJ-ICSRJNTNSA-N 2 0 333.520 3.291 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000572882712 459590405 /nfs/dbraw/zinc/59/04/05/459590405.db2.gz YEEASXDOHSCFHP-UHFFFAOYSA-N 2 0 343.559 3.444 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000562615787 459603339 /nfs/dbraw/zinc/60/33/39/459603339.db2.gz SQBGCCLFPNMUIA-ZSYWTGECSA-N 2 0 332.536 3.404 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527231451 459611996 /nfs/dbraw/zinc/61/19/96/459611996.db2.gz ISDFEAWCOOPEBR-ROUUACIJSA-N 2 0 338.442 3.482 20 0 EGADRP CCc1ccccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000527323847 459628867 /nfs/dbraw/zinc/62/88/67/459628867.db2.gz JUPAYQJHMBSSEG-UHFFFAOYSA-N 2 0 329.532 3.239 20 0 EGADRP c1ccc(COC2CC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000573422856 459674700 /nfs/dbraw/zinc/67/47/00/459674700.db2.gz OBDRVLJRIBNFPR-UHFFFAOYSA-N 2 0 337.467 3.388 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc3cc[nH]c3c2)cc1 ZINC000527655688 459687345 /nfs/dbraw/zinc/68/73/45/459687345.db2.gz NDAOWRPIALYSRX-UHFFFAOYSA-N 2 0 337.467 3.441 20 0 EGADRP CSCC1(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000596652435 459715759 /nfs/dbraw/zinc/71/57/59/459715759.db2.gz UHYADUFNDCFJOL-VQIMIIECSA-N 2 0 332.513 3.365 20 0 EGADRP CCc1cccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1 ZINC000584649169 459778679 /nfs/dbraw/zinc/77/86/79/459778679.db2.gz BPULJFGKSCMNJX-YOFSQIOKSA-N 2 0 346.515 3.201 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000566109263 459806676 /nfs/dbraw/zinc/80/66/76/459806676.db2.gz LWIKBLUUSIRKCG-NRFANRHFSA-N 2 0 348.531 3.328 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000566112105 459807561 /nfs/dbraw/zinc/80/75/61/459807561.db2.gz JYQSLMGCCVOZKV-ZCNNSNEGSA-N 2 0 342.483 3.042 20 0 EGADRP Cn1cncc1CCC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000574529579 459830744 /nfs/dbraw/zinc/83/07/44/459830744.db2.gz FZPRDIRNFIDLQV-UHFFFAOYSA-N 2 0 337.471 3.307 20 0 EGADRP CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000597149664 459850989 /nfs/dbraw/zinc/85/09/89/459850989.db2.gz GXQVSQWXQVYSDE-HNNXBMFYSA-N 2 0 333.476 3.163 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]21 ZINC000575059756 459919189 /nfs/dbraw/zinc/91/91/89/459919189.db2.gz IVMQCDVILOTIDL-YZGWKJHDSA-N 2 0 349.478 3.351 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000621642371 459994287 /nfs/dbraw/zinc/99/42/87/459994287.db2.gz LJOYQVRNUUJKSE-KRWDZBQOSA-N 2 0 329.488 3.391 20 0 EGADRP c1cnc(Oc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000575850678 460017031 /nfs/dbraw/zinc/01/70/31/460017031.db2.gz NSMWUNCMNXDDCX-PKOBYXMFSA-N 2 0 338.455 3.233 20 0 EGADRP CCn1cc(CC[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775544 460058840 /nfs/dbraw/zinc/05/88/40/460058840.db2.gz RFBYMTFPTSTPQN-RTWAWAEBSA-N 2 0 340.515 3.118 20 0 EGADRP Cc1ncncc1[C@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000576172404 460084110 /nfs/dbraw/zinc/08/41/10/460084110.db2.gz LOZSDMHDHVIXOO-HOTGVXAUSA-N 2 0 325.460 3.056 20 0 EGADRP CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000589512157 460097107 /nfs/dbraw/zinc/09/71/07/460097107.db2.gz UPICDYPITYOAJF-IBGZPJMESA-N 2 0 334.504 3.048 20 0 EGADRP COC(=O)CCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000599282078 460217247 /nfs/dbraw/zinc/21/72/47/460217247.db2.gz NCXCVSAKRQHNLB-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP C[C@@H]1C[C@@H]1C[N@H+](CCCC[NH+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000625932514 460307842 /nfs/dbraw/zinc/30/78/42/460307842.db2.gz AMUWRAAKTLKYNQ-UAFMIMERSA-N 2 0 338.536 3.014 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000626062054 460358321 /nfs/dbraw/zinc/35/83/21/460358321.db2.gz DTSDHGDKIUSQKL-INIZCTEOSA-N 2 0 333.520 3.263 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000623061250 460400547 /nfs/dbraw/zinc/40/05/47/460400547.db2.gz WDIBIYNXXSAREE-UHFFFAOYSA-N 2 0 332.492 3.182 20 0 EGADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000631567663 460446839 /nfs/dbraw/zinc/44/68/39/460446839.db2.gz ZYKHNZRACVHFQF-KRWDZBQOSA-N 2 0 342.531 3.105 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000631567664 460447464 /nfs/dbraw/zinc/44/74/64/460447464.db2.gz ZYKHNZRACVHFQF-QGZVFWFLSA-N 2 0 342.531 3.105 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000631595722 460464456 /nfs/dbraw/zinc/46/44/56/460464456.db2.gz DSDUDSNEXPEWKR-FTRWYGJKSA-N 2 0 332.488 3.162 20 0 EGADRP c1cnc2c(c1)[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000631646584 460487452 /nfs/dbraw/zinc/48/74/52/460487452.db2.gz LBEQWACHRKBHOJ-NRFANRHFSA-N 2 0 336.483 3.356 20 0 EGADRP C[NH+](C)C[C@H](N[C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000631660663 460495590 /nfs/dbraw/zinc/49/55/90/460495590.db2.gz TYVFMYDDDOLAKJ-GJZGRUSLSA-N 2 0 338.377 3.239 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623358287 460508571 /nfs/dbraw/zinc/50/85/71/460508571.db2.gz XUAOXLMBWGGWEN-INIZCTEOSA-N 2 0 345.466 3.151 20 0 EGADRP Brc1ccc(S[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629546346 460802237 /nfs/dbraw/zinc/80/22/37/460802237.db2.gz CJUNNNLHAYHTSC-IUODEOHRSA-N 2 0 341.318 3.225 20 0 EGADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000635486251 460804745 /nfs/dbraw/zinc/80/47/45/460804745.db2.gz FPBHCLYLCIMMRP-FQEVSTJZSA-N 2 0 347.547 3.118 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000629556659 460806002 /nfs/dbraw/zinc/80/60/02/460806002.db2.gz WWXOWCJMHHYPDA-FCGDIQPGSA-N 2 0 334.891 3.464 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000635563558 460833446 /nfs/dbraw/zinc/83/34/46/460833446.db2.gz YTQWFGJOSLDJAV-ZWKOTPCHSA-N 2 0 343.515 3.108 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000629656384 460850300 /nfs/dbraw/zinc/85/03/00/460850300.db2.gz NYPZQNGLRUBYRH-JKSUJKDBSA-N 2 0 342.405 3.013 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)c1 ZINC000624120191 460868859 /nfs/dbraw/zinc/86/88/59/460868859.db2.gz UGDKPXPLLCQXHA-QZTJIDSGSA-N 2 0 331.504 3.342 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624121457 460870773 /nfs/dbraw/zinc/87/07/73/460870773.db2.gz XBBROBIUNIFHKV-CVEARBPZSA-N 2 0 344.503 3.353 20 0 EGADRP CN1CC[NH+](Cc2ccccc2-c2cccc([C@H]3CC[NH2+]C3)c2)CC1 ZINC000629735378 460896413 /nfs/dbraw/zinc/89/64/13/460896413.db2.gz UIVUVZRZUQDXJF-FQEVSTJZSA-N 2 0 335.495 3.178 20 0 EGADRP C[C@@H]([NH3+])c1ccc(-c2ccc([C@@H](C)N3CC[NH2+]CC3)cc2)cc1F ZINC000629737624 460898874 /nfs/dbraw/zinc/89/88/74/460898874.db2.gz KMBLWUGPESCTQL-HUUCEWRRSA-N 2 0 327.447 3.479 20 0 EGADRP C[N@H+](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCC1 ZINC000629950986 460970110 /nfs/dbraw/zinc/97/01/10/460970110.db2.gz JWSXTEXGLLJSNA-UHFFFAOYSA-N 2 0 329.488 3.138 20 0 EGADRP CCCc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000621331528 460991559 /nfs/dbraw/zinc/99/15/59/460991559.db2.gz DPMDHAVLFZTMPB-UHFFFAOYSA-N 2 0 335.561 3.349 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000602022946 460993107 /nfs/dbraw/zinc/99/31/07/460993107.db2.gz UPRNPESLTQFUPZ-LNMJFAINSA-N 2 0 330.472 3.275 20 0 EGADRP CCCc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000621342849 460998890 /nfs/dbraw/zinc/99/88/90/460998890.db2.gz LWMPNQHXWQGQJX-UHFFFAOYSA-N 2 0 333.501 3.326 20 0 EGADRP Cc1cn2ccc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cc2n1 ZINC000635996173 461000612 /nfs/dbraw/zinc/00/06/12/461000612.db2.gz BLAONJXZRDYAPE-GOSISDBHSA-N 2 0 334.423 3.444 20 0 EGADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644760 461023756 /nfs/dbraw/zinc/02/37/56/461023756.db2.gz YMKDKYFSNWSKRZ-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCC[NH+](C)C ZINC000608482958 461072089 /nfs/dbraw/zinc/07/20/89/461072089.db2.gz XGYPEHMQZBPLAQ-HXUWFJFHSA-N 2 0 345.531 3.089 20 0 EGADRP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000646196920 461127343 /nfs/dbraw/zinc/12/73/43/461127343.db2.gz CZIQNZJJHZMVPV-IBGZPJMESA-N 2 0 335.923 3.249 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000659018761 461141771 /nfs/dbraw/zinc/14/17/71/461141771.db2.gz IPXIRSMIJBWGOY-UHFFFAOYSA-N 2 0 344.503 3.040 20 0 EGADRP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348984 461142383 /nfs/dbraw/zinc/14/23/83/461142383.db2.gz XXJMVRNHRSBRRY-ZCNNSNEGSA-N 2 0 346.515 3.291 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c2ccccc2n1 ZINC000652349584 461145602 /nfs/dbraw/zinc/14/56/02/461145602.db2.gz UNUJPRBJOCETFV-CDXJDZJCSA-N 2 0 339.483 3.262 20 0 EGADRP COc1cccc(SCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000662272925 461159989 /nfs/dbraw/zinc/15/99/89/461159989.db2.gz IJAYXMYGEILLFY-DLBZAZTESA-N 2 0 334.529 3.499 20 0 EGADRP CCC[C@@H]([NH3+])c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179865 461168603 /nfs/dbraw/zinc/16/86/03/461168603.db2.gz UMVBRSODUTVSKN-GOSISDBHSA-N 2 0 327.476 3.112 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000662295032 461172010 /nfs/dbraw/zinc/17/20/10/461172010.db2.gz YITNELBQFWPCCJ-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313062 461184154 /nfs/dbraw/zinc/18/41/54/461184154.db2.gz HLBQHXRACQKPNC-UYAOXDASSA-N 2 0 345.531 3.263 20 0 EGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662381877 461222977 /nfs/dbraw/zinc/22/29/77/461222977.db2.gz IOKGSSXYWOEFPZ-IBGZPJMESA-N 2 0 345.531 3.040 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](NC)c1cccc(Cl)c1Cl ZINC000662439871 461241885 /nfs/dbraw/zinc/24/18/85/461241885.db2.gz QNSLMKOXCSIYAJ-NHYWBVRUSA-N 2 0 346.302 3.100 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662440536 461243528 /nfs/dbraw/zinc/24/35/28/461243528.db2.gz PHAAFYWQMNGPHY-UHFFFAOYSA-N 2 0 337.467 3.014 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662462090 461252778 /nfs/dbraw/zinc/25/27/78/461252778.db2.gz GQOWNYTVNZZFBN-MRXNPFEDSA-N 2 0 349.478 3.245 20 0 EGADRP C[C@@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662482945 461262130 /nfs/dbraw/zinc/26/21/30/461262130.db2.gz QNRSCLBTJBVALQ-QGZVFWFLSA-N 2 0 349.478 3.026 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662526732 461281279 /nfs/dbraw/zinc/28/12/79/461281279.db2.gz KDTPRJPYBXWYQK-WQDJSCAQSA-N 2 0 341.499 3.085 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662526730 461282061 /nfs/dbraw/zinc/28/20/61/461282061.db2.gz KDTPRJPYBXWYQK-HNAWSFBYSA-N 2 0 341.499 3.085 20 0 EGADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC[NH+](C)C ZINC000652713707 461326177 /nfs/dbraw/zinc/32/61/77/461326177.db2.gz VLTISMJXJZPNRP-GBESFXJTSA-N 2 0 345.531 3.228 20 0 EGADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662698298 461352093 /nfs/dbraw/zinc/35/20/93/461352093.db2.gz JORVSIYOUIYPTG-GOSISDBHSA-N 2 0 329.488 3.389 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000668631002 461363732 /nfs/dbraw/zinc/36/37/32/461363732.db2.gz MVDREGGRRWZVJV-CTNGQTDRSA-N 2 0 346.515 3.408 20 0 EGADRP CC(C)CC[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641775554 461365725 /nfs/dbraw/zinc/36/57/25/461365725.db2.gz MNQKNEDTUWGTDE-LJQANCHMSA-N 2 0 347.547 3.104 20 0 EGADRP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000662835402 461387464 /nfs/dbraw/zinc/38/74/64/461387464.db2.gz NNGXDYSMIRYDKH-QRVBRYPASA-N 2 0 335.536 3.197 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655745416 461412463 /nfs/dbraw/zinc/41/24/63/461412463.db2.gz QLZKLAILWYDOCW-FQEVSTJZSA-N 2 0 331.504 3.194 20 0 EGADRP C[NH+](C)Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Cl ZINC000655764368 461430878 /nfs/dbraw/zinc/43/08/78/461430878.db2.gz ZPTAVDLHAHQJOY-QGZVFWFLSA-N 2 0 337.895 3.067 20 0 EGADRP O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659836928 461445692 /nfs/dbraw/zinc/44/56/92/461445692.db2.gz CXLIDIIQWRNSJT-ZCNNSNEGSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3)CCC2)CC1 ZINC000638478966 461448344 /nfs/dbraw/zinc/44/83/44/461448344.db2.gz VFJNRQSLSNSDNP-UHFFFAOYSA-N 2 0 334.479 3.072 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666088741 461450459 /nfs/dbraw/zinc/45/04/59/461450459.db2.gz QAIVXZIGSVCBQO-IAGOWNOFSA-N 2 0 336.907 3.024 20 0 EGADRP CC[C@](C)(C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)OC ZINC000638566871 461489740 /nfs/dbraw/zinc/48/97/40/461489740.db2.gz GDUMQVBXOUWANT-HNAYVOBHSA-N 2 0 337.483 3.043 20 0 EGADRP c1ccc([C@@H]2C[C@H](N[C@H]3CC[N@@H+](CC4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638583035 461494278 /nfs/dbraw/zinc/49/42/78/461494278.db2.gz WWQAGEHOFNEIPN-URVUXULASA-N 2 0 339.527 3.428 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849024 461495079 /nfs/dbraw/zinc/49/50/79/461495079.db2.gz OQZBUSVAKSYBAT-DZFGPLHGSA-N 2 0 345.531 3.295 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC000638594249 461498950 /nfs/dbraw/zinc/49/89/50/461498950.db2.gz DUNFZFKTQSFBNN-YLJYHZDGSA-N 2 0 343.515 3.405 20 0 EGADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660009922 461544418 /nfs/dbraw/zinc/54/44/18/461544418.db2.gz CZFQVRYJRGRHEP-UWHLTILDSA-N 2 0 328.500 3.276 20 0 EGADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660009919 461545339 /nfs/dbraw/zinc/54/53/39/461545339.db2.gz CZFQVRYJRGRHEP-PLACYPQZSA-N 2 0 328.500 3.276 20 0 EGADRP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)Oc1ccccc1 ZINC000638750974 461562616 /nfs/dbraw/zinc/56/26/16/461562616.db2.gz PCPHCUNOFTYJGE-UXHICEINSA-N 2 0 346.515 3.202 20 0 EGADRP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343724 461570419 /nfs/dbraw/zinc/57/04/19/461570419.db2.gz CMBCOKRPSKMGLE-PZJWPPBQSA-N 2 0 344.499 3.066 20 0 EGADRP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1OC ZINC000663346662 461576417 /nfs/dbraw/zinc/57/64/17/461576417.db2.gz CBJCVJOAXRNGFS-GOSISDBHSA-N 2 0 332.488 3.306 20 0 EGADRP COc1ccccc1N1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000631155632 461597421 /nfs/dbraw/zinc/59/74/21/461597421.db2.gz QNXYVMSTPMUYPK-UHFFFAOYSA-N 2 0 331.504 3.128 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000647282180 461607661 /nfs/dbraw/zinc/60/76/61/461607661.db2.gz DPZNLNKGOFWPRV-OAQYLSRUSA-N 2 0 347.547 3.398 20 0 EGADRP OCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000647322164 461633336 /nfs/dbraw/zinc/63/33/36/461633336.db2.gz IXEHSXAZJLKSID-KOUNCHBCSA-N 2 0 336.479 3.464 20 0 EGADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000656202135 461645997 /nfs/dbraw/zinc/64/59/97/461645997.db2.gz ZBDRDTOLWQTRBT-SPUZQDLCSA-N 2 0 330.472 3.419 20 0 EGADRP Cn1c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc2ccccc21 ZINC000638977159 461665545 /nfs/dbraw/zinc/66/55/45/461665545.db2.gz OEZPPCRGUBGBBQ-OAQYLSRUSA-N 2 0 349.478 3.035 20 0 EGADRP C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000650286486 461683693 /nfs/dbraw/zinc/68/36/93/461683693.db2.gz XYLHUISGOIPNQU-QGZVFWFLSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483666 461698960 /nfs/dbraw/zinc/69/89/60/461698960.db2.gz GTWLETOZPJSFDE-PKOBYXMFSA-N 2 0 346.519 3.030 20 0 EGADRP COc1cccc([C@H](C)[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000663544963 461699034 /nfs/dbraw/zinc/69/90/34/461699034.db2.gz UXUUXOKPKWMJEG-HNNXBMFYSA-N 2 0 336.439 3.455 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000643455777 461731773 /nfs/dbraw/zinc/73/17/73/461731773.db2.gz XMMICIOZEKOQLP-OTWHNJEPSA-N 2 0 331.504 3.082 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455523 461733260 /nfs/dbraw/zinc/73/32/60/461733260.db2.gz OQHZKJAATXIZPI-DUVNUKRYSA-N 2 0 327.394 3.001 20 0 EGADRP CO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000669621128 461744171 /nfs/dbraw/zinc/74/41/71/461744171.db2.gz ITZDYBUYPGRRBJ-XLIONFOSSA-N 2 0 332.488 3.161 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542881 461757670 /nfs/dbraw/zinc/75/76/70/461757670.db2.gz DIOASHUGCVOZSC-CVEARBPZSA-N 2 0 336.549 3.201 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647544246 461759336 /nfs/dbraw/zinc/75/93/36/461759336.db2.gz YMTUZWVDJUBGEB-HUUCEWRRSA-N 2 0 346.906 3.438 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC[NH2+]1 ZINC000666687227 461759951 /nfs/dbraw/zinc/75/99/51/461759951.db2.gz GWHGLZPOIOJCPH-AOIWGVFYSA-N 2 0 344.503 3.051 20 0 EGADRP CN(CCCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000653615228 461761815 /nfs/dbraw/zinc/76/18/15/461761815.db2.gz NXTXHEOOMRZUIW-SFHVURJKSA-N 2 0 332.492 3.041 20 0 EGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549831 461762563 /nfs/dbraw/zinc/76/25/63/461762563.db2.gz SNZAPZVELUGWBC-YYIAUSFCSA-N 2 0 334.529 3.401 20 0 EGADRP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](OC)C[C@H]1c1ncc[nH]1 ZINC000643745089 461794759 /nfs/dbraw/zinc/79/47/59/461794759.db2.gz PJDXIYLHPIFEDD-BZNIZROVSA-N 2 0 342.374 3.072 20 0 EGADRP Cn1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(-c2cc3ccccc3o2)n1 ZINC000666842273 461829201 /nfs/dbraw/zinc/82/92/01/461829201.db2.gz IZBAFMPCBUUQTR-HXUWFJFHSA-N 2 0 338.455 3.313 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000647786635 461834691 /nfs/dbraw/zinc/83/46/91/461834691.db2.gz UQNHXXCPXACQGD-BHIFYINESA-N 3 0 341.543 3.396 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000647786637 461834958 /nfs/dbraw/zinc/83/49/58/461834958.db2.gz UQNHXXCPXACQGD-YPAWHYETSA-N 3 0 341.543 3.396 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(OCC(F)(F)F)c1 ZINC000647789018 461835316 /nfs/dbraw/zinc/83/53/16/461835316.db2.gz WZHDVHCCIXIURN-CWRNSKLLSA-N 2 0 342.405 3.414 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000647794202 461838570 /nfs/dbraw/zinc/83/85/70/461838570.db2.gz UITRFEPCZCFCTJ-CMKODMSKSA-N 2 0 342.531 3.017 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CCC4CCC4)CC3)C2)cc1 ZINC000660540040 461840543 /nfs/dbraw/zinc/84/05/43/461840543.db2.gz YJORSNRNNKBKQX-NRFANRHFSA-N 2 0 327.516 3.069 20 0 EGADRP C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542395 461843350 /nfs/dbraw/zinc/84/33/50/461843350.db2.gz PMIBAIHHKPMAKO-DPXCBNATSA-N 2 0 345.512 3.047 20 0 EGADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639329136 461863491 /nfs/dbraw/zinc/86/34/91/461863491.db2.gz GTJNCNUIFNMPNF-SVFBPWRDSA-N 2 0 327.516 3.428 20 0 EGADRP CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647871207 461865193 /nfs/dbraw/zinc/86/51/93/461865193.db2.gz ZJTLHLQTGRTVAD-LBPRGKRZSA-N 2 0 344.286 3.253 20 0 EGADRP O=C(Nc1ccccc1)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647873361 461866931 /nfs/dbraw/zinc/86/69/31/461866931.db2.gz AHHWGWMSGNVGJW-UHFFFAOYSA-N 2 0 329.488 3.117 20 0 EGADRP Clc1ccc(-c2noc([C@@H]3CCC[N@H+](C[C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000647883997 461870812 /nfs/dbraw/zinc/87/08/12/461870812.db2.gz SOWHTWCDMBSIJI-UKRRQHHQSA-N 2 0 346.862 3.179 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950913 461884863 /nfs/dbraw/zinc/88/48/63/461884863.db2.gz QHFMGYLPPUCRRU-HXUWFJFHSA-N 2 0 332.451 3.257 20 0 EGADRP CC[N@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CC1 ZINC000650679906 461885288 /nfs/dbraw/zinc/88/52/88/461885288.db2.gz DNZYHURQVQURTQ-UHFFFAOYSA-N 2 0 347.528 3.297 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782545 461892959 /nfs/dbraw/zinc/89/29/59/461892959.db2.gz HJLGOVRVNOVMHY-LJQANCHMSA-N 2 0 330.520 3.138 20 0 EGADRP CC(C)N(C)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656784744 461893468 /nfs/dbraw/zinc/89/34/68/461893468.db2.gz CCQBPBABQOWDQP-LJQANCHMSA-N 2 0 330.520 3.138 20 0 EGADRP COc1cc2c(c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000656784720 461894063 /nfs/dbraw/zinc/89/40/63/461894063.db2.gz GFTSLRKOKUJGPB-RDJZCZTQSA-N 2 0 344.499 3.230 20 0 EGADRP COc1cc2c(cc1C[NH+]1CCC([C@H]3CCC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000656785973 461896059 /nfs/dbraw/zinc/89/60/59/461896059.db2.gz OPWLQJDHOIEVMS-WBVHZDCISA-N 2 0 344.499 3.230 20 0 EGADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656786988 461898263 /nfs/dbraw/zinc/89/82/63/461898263.db2.gz ZAACXSDBRICUKM-OAHLLOKOSA-N 2 0 332.879 3.199 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706112 461899556 /nfs/dbraw/zinc/89/95/56/461899556.db2.gz DJBXJNPKPAATAU-HDMKZQKVSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000650705886 461899919 /nfs/dbraw/zinc/89/99/19/461899919.db2.gz ZZTOGQPIZHXJHM-UXLLHSPISA-N 2 0 340.414 3.006 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000650707824 461900942 /nfs/dbraw/zinc/90/09/42/461900942.db2.gz NSDAOHZFCIBOJN-FRFSOERESA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000650707549 461901332 /nfs/dbraw/zinc/90/13/32/461901332.db2.gz IJLGDGVOOZNDSS-VBQJREDUSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000650708898 461904039 /nfs/dbraw/zinc/90/40/39/461904039.db2.gz TXGDGDHNNFARGH-HOCLYGCPSA-N 2 0 328.378 3.189 20 0 EGADRP CCCCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650708523 461904205 /nfs/dbraw/zinc/90/42/05/461904205.db2.gz BNUFKLGBQYSRPA-PXNSSMCTSA-N 2 0 332.488 3.435 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717611 461909938 /nfs/dbraw/zinc/90/99/38/461909938.db2.gz HEUHHGCCDDJFAH-DNVCBOLYSA-N 2 0 327.447 3.210 20 0 EGADRP Cc1nccn1CCCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660666129 461914500 /nfs/dbraw/zinc/91/45/00/461914500.db2.gz NCGUGHDPIYUKFU-UHFFFAOYSA-N 2 0 348.441 3.462 20 0 EGADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977684 461919111 /nfs/dbraw/zinc/91/91/11/461919111.db2.gz GBCNULLZDLEVFS-SJORKVTESA-N 2 0 339.483 3.371 20 0 EGADRP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647977886 461920417 /nfs/dbraw/zinc/92/04/17/461920417.db2.gz JLGAOPBWLNKPGZ-IRXDYDNUSA-N 2 0 342.462 3.223 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000667039613 461924336 /nfs/dbraw/zinc/92/43/36/461924336.db2.gz ZUPWQKWSPGWLMK-GOEBONIOSA-N 2 0 338.455 3.250 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2CC[NH2+]CC2)c(Cl)c1 ZINC000650764449 461941610 /nfs/dbraw/zinc/94/16/10/461941610.db2.gz YYUJZPIVKFRPGA-AWEZNQCLSA-N 2 0 337.895 3.345 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000644522329 461969129 /nfs/dbraw/zinc/96/91/29/461969129.db2.gz NSSIVZMVOBNAAY-NQIIRXRSSA-N 2 0 348.531 3.184 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC2(CCCC2)O1 ZINC000648077406 461970813 /nfs/dbraw/zinc/97/08/13/461970813.db2.gz OVOIFSGLIFKLIZ-QGZVFWFLSA-N 2 0 332.488 3.161 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000644525449 461971210 /nfs/dbraw/zinc/97/12/10/461971210.db2.gz LUDVEXSEDRTZRK-UHFFFAOYSA-N 2 0 339.430 3.146 20 0 EGADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000639656607 462042049 /nfs/dbraw/zinc/04/20/49/462042049.db2.gz SXFWBTQDACEZBG-AZUAARDMSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683016 462055862 /nfs/dbraw/zinc/05/58/62/462055862.db2.gz QYZKYWKIUWYTEK-OAHLLOKOSA-N 2 0 349.438 3.004 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1C ZINC000664596640 462119603 /nfs/dbraw/zinc/11/96/03/462119603.db2.gz JXAWCNRYVTXZBD-KRWDZBQOSA-N 2 0 339.483 3.141 20 0 EGADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000667664602 462197497 /nfs/dbraw/zinc/19/74/97/462197497.db2.gz OUZWHOAYLBGQGA-CGBFIWBNSA-N 2 0 348.535 3.175 20 0 EGADRP COc1ccsc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613937 462203552 /nfs/dbraw/zinc/20/35/52/462203552.db2.gz XRIUBTQKLBHEOX-UHFFFAOYSA-N 2 0 331.485 3.154 20 0 EGADRP Fc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1F ZINC000657613345 462203924 /nfs/dbraw/zinc/20/39/24/462203924.db2.gz ZEQFYSSCPFIWKO-UHFFFAOYSA-N 2 0 331.410 3.362 20 0 EGADRP Cc1cn2c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c(C)nc2s1 ZINC000657811353 462278176 /nfs/dbraw/zinc/27/81/76/462278176.db2.gz ACLIGTHRKLYQAK-UHFFFAOYSA-N 2 0 332.517 3.224 20 0 EGADRP COc1cc2c(c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c1)O[C@H](C)C2 ZINC000657813311 462279639 /nfs/dbraw/zinc/27/96/39/462279639.db2.gz NZIXHRSWMDWOSW-OAHLLOKOSA-N 2 0 344.499 3.230 20 0 EGADRP CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000648798803 462283234 /nfs/dbraw/zinc/28/32/34/462283234.db2.gz INZNPKZDXUAOHR-MOPGFXCFSA-N 2 0 332.488 3.016 20 0 EGADRP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000651663372 462294934 /nfs/dbraw/zinc/29/49/34/462294934.db2.gz IXUAULDJLZRHPD-IBGZPJMESA-N 2 0 348.531 3.184 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651679381 462300995 /nfs/dbraw/zinc/30/09/95/462300995.db2.gz ZEAAZLQSRGDSEN-ROUUACIJSA-N 2 0 341.503 3.115 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000645384829 462307013 /nfs/dbraw/zinc/30/70/13/462307013.db2.gz CKRFVEZCSQGEEB-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000658068069 462364568 /nfs/dbraw/zinc/36/45/68/462364568.db2.gz BOFIRQVOAKELLQ-RYRKJORJSA-N 2 0 335.923 3.486 20 0 EGADRP c1ccc(CN2CCCO[C@H](C[N@@H+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290028 462387837 /nfs/dbraw/zinc/38/78/37/462387837.db2.gz GBRMBLVVAJEPHF-RTWAWAEBSA-N 2 0 328.500 3.400 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000665293756 462388706 /nfs/dbraw/zinc/38/87/06/462388706.db2.gz CBGIGPJQJVLOED-DZGCQCFKSA-N 2 0 346.862 3.110 20 0 EGADRP CC1(C)C[C@]1(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000665299192 462390570 /nfs/dbraw/zinc/39/05/70/462390570.db2.gz IFVBJMAZSQEALO-XCJLJZCSSA-N 2 0 328.500 3.101 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1(CO)CC1 ZINC000658157341 462410114 /nfs/dbraw/zinc/41/01/14/462410114.db2.gz YPKRJVGHTGEGCE-OJAHFUOMSA-N 2 0 328.500 3.038 20 0 EGADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658163718 462413233 /nfs/dbraw/zinc/41/32/33/462413233.db2.gz AESCBQYBMLQXIO-PMACEKPBSA-N 2 0 345.531 3.475 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163908 462415297 /nfs/dbraw/zinc/41/52/97/462415297.db2.gz BXYRYLSHTIZQJA-PMACEKPBSA-N 2 0 331.504 3.088 20 0 EGADRP COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532296 462431874 /nfs/dbraw/zinc/43/18/74/462431874.db2.gz SFCDUYAFFULURD-QGZVFWFLSA-N 2 0 347.503 3.220 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000649302997 462472097 /nfs/dbraw/zinc/47/20/97/462472097.db2.gz NCGBEQLZTPRHRI-ROUUACIJSA-N 2 0 345.874 3.067 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000658354084 462487208 /nfs/dbraw/zinc/48/72/08/462487208.db2.gz WRBFEZGRPGCCFY-RTBURBONSA-N 2 0 330.520 3.158 20 0 EGADRP C(=C/C[N@@H+]1CC[C@H](c2cccnc2)C1)\C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645983216 462487316 /nfs/dbraw/zinc/48/73/16/462487316.db2.gz BBBFPWDJYZDHMS-HNSCLNPNSA-N 2 0 348.494 3.312 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000649378655 462493670 /nfs/dbraw/zinc/49/36/70/462493670.db2.gz RMPFEZAWBBYXID-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1nc2ccccc2n1CCNc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000525693548 478395750 /nfs/dbraw/zinc/39/57/50/478395750.db2.gz QIMVZXFLRMZNHC-UHFFFAOYSA-N 2 0 338.459 3.436 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000154933446 533842252 /nfs/dbraw/zinc/84/22/52/533842252.db2.gz DDLIJBUNCGIIQB-UGKGYDQZSA-N 2 0 337.511 3.196 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cncc(F)c1 ZINC000165193544 533922225 /nfs/dbraw/zinc/92/22/25/533922225.db2.gz CYHJIOOASOZIPI-HNNXBMFYSA-N 2 0 331.435 3.402 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1(C(=O)OC)CCC1 ZINC000272341590 517772689 /nfs/dbraw/zinc/77/26/89/517772689.db2.gz BSQZEELGPAAZJZ-GOSISDBHSA-N 2 0 345.487 3.010 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000171479014 527862461 /nfs/dbraw/zinc/86/24/61/527862461.db2.gz ZLOSQDCFSZOVRN-SFHVURJKSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000177968959 527880728 /nfs/dbraw/zinc/88/07/28/527880728.db2.gz YHYVEJUPXMVAEM-NQIIRXRSSA-N 2 0 329.532 3.013 20 0 EGADRP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](C)C1 ZINC000131732407 527891293 /nfs/dbraw/zinc/89/12/93/527891293.db2.gz IWVSSZVDIFHGLC-APWZRJJASA-N 2 0 333.545 3.378 20 0 EGADRP CC(C)OCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132731636 527948131 /nfs/dbraw/zinc/94/81/31/527948131.db2.gz DTUGZOPDDNTCTI-UHFFFAOYSA-N 2 0 333.520 3.122 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000165929130 528037837 /nfs/dbraw/zinc/03/78/37/528037837.db2.gz LBKJHDJDBFCGQA-ZBFHGGJFSA-N 2 0 326.481 3.309 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000154278988 529145026 /nfs/dbraw/zinc/14/50/26/529145026.db2.gz UDEMZQYFEZFYCW-HNNXBMFYSA-N 2 0 343.437 3.384 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000158670163 529149868 /nfs/dbraw/zinc/14/98/68/529149868.db2.gz NVEQVGKKBDUGOF-SFHVURJKSA-N 2 0 338.499 3.070 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)c1ccccc1 ZINC000346629422 535595653 /nfs/dbraw/zinc/59/56/53/535595653.db2.gz VVYHMDHZHHTGFX-QUCCMNQESA-N 2 0 345.531 3.055 20 0 EGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000357069000 536512349 /nfs/dbraw/zinc/51/23/49/536512349.db2.gz DZVBQDZNDMGVIJ-KRWDZBQOSA-N 2 0 341.455 3.172 20 0 EGADRP COCCCOc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000347033729 536624951 /nfs/dbraw/zinc/62/49/51/536624951.db2.gz BXYKSXSKDOKWEK-FQEVSTJZSA-N 2 0 332.488 3.066 20 0 EGADRP CC1(C)C[C@@H](NC[C@@H]2CC[NH+](C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000090169237 546653760 /nfs/dbraw/zinc/65/37/60/546653760.db2.gz LPWXMXJKYPDGIJ-RBUKOAKNSA-N 2 0 327.516 3.113 20 0 EGADRP CCOC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093419538 546685064 /nfs/dbraw/zinc/68/50/64/546685064.db2.gz JUZAMBWRNPHCCP-FQEVSTJZSA-N 2 0 346.515 3.410 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccco1 ZINC000151902769 546860853 /nfs/dbraw/zinc/86/08/53/546860853.db2.gz BEFKQCSGVJLJBE-PKOBYXMFSA-N 2 0 327.472 3.309 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000156678557 546913470 /nfs/dbraw/zinc/91/34/70/546913470.db2.gz FPZSFQRKTRWBNW-UTKZUKDTSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000156776807 546914524 /nfs/dbraw/zinc/91/45/24/546914524.db2.gz JGTGWLHLZHWOJQ-HOTGVXAUSA-N 2 0 329.488 3.194 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000165288464 546984092 /nfs/dbraw/zinc/98/40/92/546984092.db2.gz RKQXEFHVTBKBIM-FQEVSTJZSA-N 3 0 329.532 3.015 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3c[nH]nc3C)CC2)cc1 ZINC000180328951 547055503 /nfs/dbraw/zinc/05/55/03/547055503.db2.gz LENLZFUACKNZRL-HNNXBMFYSA-N 2 0 342.487 3.290 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000280026619 547368688 /nfs/dbraw/zinc/36/86/88/547368688.db2.gz HTGSJOVPOCEZDP-GOSISDBHSA-N 2 0 330.472 3.155 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000324100595 547471532 /nfs/dbraw/zinc/47/15/32/547471532.db2.gz CKGBETWMVXQINC-AWEZNQCLSA-N 2 0 343.437 3.382 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)CC2 ZINC000358919850 547748296 /nfs/dbraw/zinc/74/82/96/547748296.db2.gz YLBXFVXHKPYSAX-QAPCUYQASA-N 2 0 332.488 3.403 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000415039302 547863443 /nfs/dbraw/zinc/86/34/43/547863443.db2.gz NVEZLXXHSABFTB-YPMHNXCESA-N 2 0 334.261 3.214 20 0 EGADRP Cc1ccc(-n2ccnc2)c(C(=O)N[C@H]2CN(C)Cc3ccccc32)c1 ZINC000534542999 548047486 /nfs/dbraw/zinc/04/74/86/548047486.db2.gz DZPSXJFTNMRGPL-IBGZPJMESA-N 2 0 346.434 3.097 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000671302406 548275116 /nfs/dbraw/zinc/27/51/16/548275116.db2.gz OEZMQCBJVKOWRD-OAQYLSRUSA-N 2 0 346.515 3.454 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000673652014 548590460 /nfs/dbraw/zinc/59/04/60/548590460.db2.gz XKKRLAPXQLLFOS-WOJBJXKFSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C(C)(C)c1ccccc1 ZINC000676052750 549029036 /nfs/dbraw/zinc/02/90/36/549029036.db2.gz PNFIOXDPKZLZCV-KRWDZBQOSA-N 2 0 341.499 3.478 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000677138455 549215860 /nfs/dbraw/zinc/21/58/60/549215860.db2.gz PTZAIQZWIJADFO-UHFFFAOYSA-N 2 0 330.303 3.111 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCc2ccc(F)cc2)cc1 ZINC000678193521 549422644 /nfs/dbraw/zinc/42/26/44/549422644.db2.gz DHCHLAQRUBVVRJ-UHFFFAOYSA-N 2 0 330.447 3.441 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC(C)(C)O1 ZINC000678214410 549426472 /nfs/dbraw/zinc/42/64/72/549426472.db2.gz UXHVQSDVESHIHR-KRWDZBQOSA-N 2 0 332.488 3.161 20 0 EGADRP C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)CC1CC[NH+](C)CC1 ZINC000678239316 549438937 /nfs/dbraw/zinc/43/89/37/549438937.db2.gz ZKHKAFJZRISUMX-UHFFFAOYSA-N 2 0 346.906 3.358 20 0 EGADRP CCc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000678296219 549463431 /nfs/dbraw/zinc/46/34/31/549463431.db2.gz WLYRDBSAIHPZRQ-UHFFFAOYSA-N 2 0 335.561 3.301 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(C)n1 ZINC000678413553 549486994 /nfs/dbraw/zinc/48/69/94/549486994.db2.gz JSHPWASFVXCXOG-INIZCTEOSA-N 2 0 327.472 3.490 20 0 EGADRP C[C@H]([NH2+]CC1(CO)CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000678595999 549527571 /nfs/dbraw/zinc/52/75/71/549527571.db2.gz MYSDDQOAYWDJOP-KRWDZBQOSA-N 2 0 334.504 3.220 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000679188803 549653039 /nfs/dbraw/zinc/65/30/39/549653039.db2.gz CAPBPBOJQQNSKY-PMACEKPBSA-N 2 0 339.483 3.141 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)CCCCO)CC2)cc1 ZINC000679338635 549691470 /nfs/dbraw/zinc/69/14/70/549691470.db2.gz UJXCLNTXWMPORU-QGZVFWFLSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@@H]([NH2+]CCNc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000679371164 549698521 /nfs/dbraw/zinc/69/85/21/549698521.db2.gz RXFNHSIWIDYTGR-CYBMUJFWSA-N 2 0 340.309 3.181 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3C3CC3)CC2)CC1 ZINC000680483721 549870544 /nfs/dbraw/zinc/87/05/44/549870544.db2.gz PYYWSAJAUZOXCI-UHFFFAOYSA-N 2 0 341.543 3.414 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000680969670 549934854 /nfs/dbraw/zinc/93/48/54/549934854.db2.gz RWRNKHJMBSXLBM-OALUTQOASA-N 2 0 329.532 3.184 20 0 EGADRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682408929 550095481 /nfs/dbraw/zinc/09/54/81/550095481.db2.gz DKUGEOMSTKUKCP-DBXWQHBBSA-N 2 0 346.515 3.143 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc3cnccc3c2)C[C@@H](C)O1 ZINC000683767000 550259517 /nfs/dbraw/zinc/25/95/17/550259517.db2.gz CUBXNONPTZRKIK-IAGOWNOFSA-N 2 0 327.472 3.214 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000684953083 550387243 /nfs/dbraw/zinc/38/72/43/550387243.db2.gz GTYKMYZODQTSEB-LJQANCHMSA-N 2 0 325.456 3.189 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000684969399 550390009 /nfs/dbraw/zinc/39/00/09/550390009.db2.gz WFELJNNGAYWUOA-LJQANCHMSA-N 2 0 332.488 3.162 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457342 550418936 /nfs/dbraw/zinc/41/89/36/550418936.db2.gz AYBHGFVAMQFXIV-SFHVURJKSA-N 2 0 335.923 3.249 20 0 EGADRP C[N@H+](C/C=C/c1ccc(F)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457195 550419096 /nfs/dbraw/zinc/41/90/96/550419096.db2.gz JNXOVAASSYORHQ-GNAXCBTBSA-N 2 0 349.469 3.078 20 0 EGADRP COCCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731678425 575199652 /nfs/dbraw/zinc/19/96/52/575199652.db2.gz MCOPLIYBZABRPA-UHFFFAOYSA-N 2 0 346.515 3.381 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000741796697 575438584 /nfs/dbraw/zinc/43/85/84/575438584.db2.gz WSCPPIKUCZEUKA-ULQDDVLXSA-N 2 0 339.524 3.048 20 0 EGADRP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000693674443 1298151022 /nfs/dbraw/zinc/15/10/22/1298151022.db2.gz LGBWDDGZLGTAKA-NJYVYQBISA-N 3 0 341.543 3.265 20 0 EGADRP CC1(C)[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC000693711371 1298151191 /nfs/dbraw/zinc/15/11/91/1298151191.db2.gz DYHSKTIHGWTOEY-UWHLTILDSA-N 2 0 341.543 3.265 20 0 EGADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1cccc(F)c1 ZINC000051793729 1291684343 /nfs/dbraw/zinc/68/43/43/1291684343.db2.gz FSXQHFNZONBTBC-FQEVSTJZSA-N 2 0 334.479 3.447 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000063917499 1292031759 /nfs/dbraw/zinc/03/17/59/1292031759.db2.gz LAPMRBNFWHZAJA-LJQANCHMSA-N 2 0 339.483 3.482 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000066876935 1292131803 /nfs/dbraw/zinc/13/18/03/1292131803.db2.gz FTUBFBCRIVIXKU-UHFFFAOYSA-N 2 0 346.478 3.276 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC000067452576 1292161140 /nfs/dbraw/zinc/16/11/40/1292161140.db2.gz NZWXDULWWAYJQT-GASCZTMLSA-N 2 0 339.549 3.420 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000069171007 1292234855 /nfs/dbraw/zinc/23/48/55/1292234855.db2.gz RKZGQRWIMNFKIM-JOCHJYFZSA-N 2 0 337.511 3.382 20 0 EGADRP CCOc1ccccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000069711420 1292249346 /nfs/dbraw/zinc/24/93/46/1292249346.db2.gz DOLLXUZFKVDVHS-UHFFFAOYSA-N 2 0 328.456 3.316 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864227 1292390391 /nfs/dbraw/zinc/39/03/91/1292390391.db2.gz UDQRPLPCQGODOP-HXUWFJFHSA-N 2 0 349.563 3.445 20 0 EGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075861154 1292414356 /nfs/dbraw/zinc/41/43/56/1292414356.db2.gz QSYXDZLRZPPECC-IRXDYDNUSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000077328310 1292460011 /nfs/dbraw/zinc/46/00/11/1292460011.db2.gz YKSIEVGLRYNRFI-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH3+])c2)[C@H]1c1cccs1 ZINC000830384013 1292714996 /nfs/dbraw/zinc/71/49/96/1292714996.db2.gz ZDIFYBSYVGMXIO-WMZOPIPTSA-N 2 0 343.496 3.020 20 0 EGADRP [NH3+]CCCCCCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000831127100 1292814324 /nfs/dbraw/zinc/81/43/24/1292814324.db2.gz BKOYVVHXYCTKJP-LJQANCHMSA-N 2 0 346.519 3.032 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092743005 1292888444 /nfs/dbraw/zinc/88/84/44/1292888444.db2.gz DYJFYRUFSVEFLU-DZGCQCFKSA-N 2 0 325.522 3.023 20 0 EGADRP Cc1ccccc1-c1cccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000105465232 1293039260 /nfs/dbraw/zinc/03/92/60/1293039260.db2.gz PATFZPQCYMXETH-LJQANCHMSA-N 2 0 337.511 3.388 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000834792229 1293149582 /nfs/dbraw/zinc/14/95/82/1293149582.db2.gz HHSLRDNCUGWKIB-SCCNAQOGSA-N 2 0 343.515 3.203 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)ccc1OC ZINC000834906650 1293172431 /nfs/dbraw/zinc/17/24/31/1293172431.db2.gz RDAGGOLISUGDER-HNAYVOBHSA-N 2 0 334.504 3.349 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)OC[C@@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC000835246128 1293242118 /nfs/dbraw/zinc/24/21/18/1293242118.db2.gz HUAAFRIQJQFJQA-SFHVURJKSA-N 2 0 342.439 3.163 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(c2)C[NH2+]CC3)c1 ZINC000120969284 1293348679 /nfs/dbraw/zinc/34/86/79/1293348679.db2.gz SUMCBKWJKPVRQA-UHFFFAOYSA-N 2 0 337.467 3.426 20 0 EGADRP COc1cccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000121155979 1293358176 /nfs/dbraw/zinc/35/81/76/1293358176.db2.gz IEOCEGQGZWTYIH-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C1CC[NH+](C)CC1 ZINC000122360186 1293409951 /nfs/dbraw/zinc/40/99/51/1293409951.db2.gz GUTHDPUYTLCDHV-KRWDZBQOSA-N 2 0 344.547 3.041 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000124430078 1293475198 /nfs/dbraw/zinc/47/51/98/1293475198.db2.gz DZMMAFLWVVAGCY-QGZVFWFLSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@H]1CC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000128967690 1293609541 /nfs/dbraw/zinc/60/95/41/1293609541.db2.gz JLYXGXAXQPZBDZ-IRXDYDNUSA-N 2 0 332.488 3.207 20 0 EGADRP NC(=O)c1csc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000130343182 1293653546 /nfs/dbraw/zinc/65/35/46/1293653546.db2.gz DGJMPIDLNLRLOC-UHFFFAOYSA-N 2 0 343.496 3.123 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000150985048 1293902006 /nfs/dbraw/zinc/90/20/06/1293902006.db2.gz PEQVRTDOROTMND-CQSZACIVSA-N 2 0 339.530 3.318 20 0 EGADRP CCCC[N@H+](C)CC1CCN(CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000151802745 1293939216 /nfs/dbraw/zinc/93/92/16/1293939216.db2.gz QHOSWIXOQQUUCT-FQEVSTJZSA-N 2 0 343.515 3.361 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000152021844 1293950196 /nfs/dbraw/zinc/95/01/96/1293950196.db2.gz DZRPVTDNXDDCIZ-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCCCC[NH3+])C1 ZINC000155444339 1294098125 /nfs/dbraw/zinc/09/81/25/1294098125.db2.gz PUFIQLNFRVQZDH-ROUUACIJSA-N 2 0 345.531 3.300 20 0 EGADRP CCCN(CC)CC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000156804154 1294159990 /nfs/dbraw/zinc/15/99/90/1294159990.db2.gz TURFTKNYKYTKJY-UHFFFAOYSA-N 2 0 332.536 3.043 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000166440179 1294362527 /nfs/dbraw/zinc/36/25/27/1294362527.db2.gz GEIBYGLRUFPXFQ-UHFFFAOYSA-N 2 0 334.261 3.357 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000181501668 1294975872 /nfs/dbraw/zinc/97/58/72/1294975872.db2.gz UHMZBLYPITXTIC-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCN2CCCC2)ccc1OC ZINC000182226038 1295028186 /nfs/dbraw/zinc/02/81/86/1295028186.db2.gz QWWGKZZYEWJCCP-KRWDZBQOSA-N 2 0 333.520 3.283 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)C)cc1C[NH+]1CCCCC1 ZINC000182976938 1295088315 /nfs/dbraw/zinc/08/83/15/1295088315.db2.gz MASLJVOLUMCDHH-QFBILLFUSA-N 2 0 334.504 3.349 20 0 EGADRP CC(C)C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000194174165 1295951440 /nfs/dbraw/zinc/95/14/40/1295951440.db2.gz PTOSIIXHFBRQAQ-UHFFFAOYSA-N 2 0 345.531 3.265 20 0 EGADRP C[NH+](C)CCCCCCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194693633 1296000347 /nfs/dbraw/zinc/00/03/47/1296000347.db2.gz BNHWLHRSGKJQGO-UHFFFAOYSA-N 2 0 340.556 3.061 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000870862866 1296119926 /nfs/dbraw/zinc/11/99/26/1296119926.db2.gz DCMYTCYMQYSFKY-MXVIHJGJSA-N 2 0 343.515 3.052 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c2ccccc2)CC1 ZINC000870871547 1296123225 /nfs/dbraw/zinc/12/32/25/1296123225.db2.gz FCNLPPKDDBRJRN-HSALFYBXSA-N 2 0 343.515 3.093 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000870885849 1296130056 /nfs/dbraw/zinc/13/00/56/1296130056.db2.gz UJOQLSPUIXPWMT-FRYIKTPZSA-N 2 0 345.531 3.386 20 0 EGADRP CC(C)(C)OC(=O)N(CC[NH2+]CCC[NH+]1CCCC1)C(C)(C)C ZINC000230969358 1296167777 /nfs/dbraw/zinc/16/77/77/1296167777.db2.gz BGADMZJJHDSNMC-UHFFFAOYSA-N 2 0 327.513 3.098 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000236761642 1296201311 /nfs/dbraw/zinc/20/13/11/1296201311.db2.gz CFPAMJPJLAWLCR-QGZVFWFLSA-N 2 0 339.524 3.240 20 0 EGADRP CCC[N@@H+]1CC[C@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236786722 1296203677 /nfs/dbraw/zinc/20/36/77/1296203677.db2.gz RLYDZQRTQDYWKG-HXUWFJFHSA-N 2 0 331.548 3.466 20 0 EGADRP Cc1noc(C)c1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237632489 1296254252 /nfs/dbraw/zinc/25/42/52/1296254252.db2.gz QAWSKHOALHBKJP-GJZGRUSLSA-N 2 0 343.471 3.190 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237676004 1296256195 /nfs/dbraw/zinc/25/61/95/1296256195.db2.gz QUFCQZJSJOAQOL-CGTJXYLNSA-N 2 0 329.488 3.375 20 0 EGADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871884869 1296593295 /nfs/dbraw/zinc/59/32/95/1296593295.db2.gz AMOUFTLDEYSHDP-KRWDZBQOSA-N 2 0 349.544 3.129 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000262011186 1296614739 /nfs/dbraw/zinc/61/47/39/1296614739.db2.gz UEGVBWNZYRZHHQ-AWEZNQCLSA-N 2 0 337.895 3.297 20 0 EGADRP CCCOc1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cccc1OCC ZINC000262151567 1296620007 /nfs/dbraw/zinc/62/00/07/1296620007.db2.gz ZWWHDEGJASFMJS-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc(O)ccc1F ZINC000872085689 1296725473 /nfs/dbraw/zinc/72/54/73/1296725473.db2.gz ORQXKXNFQVGSFP-OAHLLOKOSA-N 2 0 343.446 3.489 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000299991170 1296778516 /nfs/dbraw/zinc/77/85/16/1296778516.db2.gz SVNMKCPHPREBRK-OWCLPIDISA-N 2 0 327.513 3.094 20 0 EGADRP CSc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000305162942 1296989181 /nfs/dbraw/zinc/98/91/81/1296989181.db2.gz RTJKJTZIEHADLG-MOPGFXCFSA-N 2 0 334.529 3.266 20 0 EGADRP CSc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000305162945 1296989414 /nfs/dbraw/zinc/98/94/14/1296989414.db2.gz RTJKJTZIEHADLG-RTBURBONSA-N 2 0 334.529 3.266 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310917509 1297104449 /nfs/dbraw/zinc/10/44/49/1297104449.db2.gz QPAQQGWEUZEPJJ-RTWAWAEBSA-N 2 0 340.515 3.410 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000327233222 1297246237 /nfs/dbraw/zinc/24/62/37/1297246237.db2.gz LEFNNHKSWUFWRI-HXUWFJFHSA-N 2 0 335.451 3.108 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000345788062 1297339168 /nfs/dbraw/zinc/33/91/68/1297339168.db2.gz CFINRUKTJOSVMQ-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208305 1297353159 /nfs/dbraw/zinc/35/31/59/1297353159.db2.gz SUJKHDHTTXEPOF-SFHVURJKSA-N 2 0 341.524 3.100 20 0 EGADRP CC(C)c1ccc([C@H](N)C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873211418 1297355484 /nfs/dbraw/zinc/35/54/84/1297355484.db2.gz ZVGZUEJTANYFAJ-GOSISDBHSA-N 2 0 329.513 3.307 20 0 EGADRP COc1ccc2c(c1)CC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873210223 1297356150 /nfs/dbraw/zinc/35/61/50/1297356150.db2.gz ZMEJLOPPGOYGJT-UHFFFAOYSA-N 2 0 328.481 3.003 20 0 EGADRP CC1(C)C[C@@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)c2cc(N)ccc2O1 ZINC000873213424 1297356315 /nfs/dbraw/zinc/35/63/15/1297356315.db2.gz ZBSREQBARIJIAH-MRXNPFEDSA-N 2 0 343.496 3.368 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000873238986 1297380548 /nfs/dbraw/zinc/38/05/48/1297380548.db2.gz LDYNQODBRNQORZ-ZOBUZTSGSA-N 2 0 331.460 3.201 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000873250404 1297391062 /nfs/dbraw/zinc/39/10/62/1297391062.db2.gz HGPWONCVTXESNZ-TXCZRRACSA-N 2 0 336.451 3.162 20 0 EGADRP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873260811 1297394361 /nfs/dbraw/zinc/39/43/61/1297394361.db2.gz IFGAQXQVTWLQLL-LXWRTIBQSA-N 2 0 332.463 3.414 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(OC(F)F)c1 ZINC000873288758 1297411004 /nfs/dbraw/zinc/41/10/04/1297411004.db2.gz BNKQWQRPSGGOCR-XJKSGUPXSA-N 2 0 340.414 3.097 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291590 1297414417 /nfs/dbraw/zinc/41/44/17/1297414417.db2.gz KTNZVURONDSKQE-ZFWWWQNUSA-N 2 0 337.533 3.384 20 0 EGADRP COc1ccc([C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C(C)C)cc1 ZINC000873292300 1297414684 /nfs/dbraw/zinc/41/46/84/1297414684.db2.gz PTTYFSHZTHESJX-OALUTQOASA-N 2 0 332.488 3.141 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2ccsc2S1 ZINC000873293287 1297415940 /nfs/dbraw/zinc/41/59/40/1297415940.db2.gz YTZQGAUEZRXGQG-YDHLFZDLSA-N 2 0 338.542 3.422 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000378877971 1297524222 /nfs/dbraw/zinc/52/42/22/1297524222.db2.gz CJMSYICMQSMKSG-KRWDZBQOSA-N 2 0 344.330 3.355 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000385585372 1297585366 /nfs/dbraw/zinc/58/53/66/1297585366.db2.gz GURJMKVWHLDGHT-GZNCHQMQSA-N 2 0 344.499 3.220 20 0 EGADRP COc1ccc(Br)c(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000396444237 1297688816 /nfs/dbraw/zinc/68/88/16/1297688816.db2.gz BAILXXYEMAQLHN-GFCCVEGCSA-N 2 0 341.293 3.278 20 0 EGADRP Cc1ccc(O)c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397556337 1297701521 /nfs/dbraw/zinc/70/15/21/1297701521.db2.gz MSRUBZMKDGRGTK-UHFFFAOYSA-N 2 0 325.456 3.097 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)cc1)C(C)C ZINC000874840609 1298121179 /nfs/dbraw/zinc/12/11/79/1298121179.db2.gz PQCGRKAOJKYRRC-VQTJNVASSA-N 2 0 343.515 3.226 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC000691915734 1298139627 /nfs/dbraw/zinc/13/96/27/1298139627.db2.gz CLHWMGLNQNEZMC-OAQYLSRUSA-N 3 0 341.543 3.364 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000693029468 1298147489 /nfs/dbraw/zinc/14/74/89/1298147489.db2.gz AAWNIIDUKTURCJ-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000711105459 1298259572 /nfs/dbraw/zinc/25/95/72/1298259572.db2.gz HNNVRHDLMOFVKO-UNNPPQAFSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000725893330 1298383291 /nfs/dbraw/zinc/38/32/91/1298383291.db2.gz XHTZEHOZOGKYGP-FGTMMUONSA-N 2 0 349.563 3.409 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc(Cl)c2N)c1 ZINC000876941224 1299077319 /nfs/dbraw/zinc/07/73/19/1299077319.db2.gz BYWKEBCHKAXOOV-UHFFFAOYSA-N 2 0 333.863 3.152 20 0 EGADRP c1ccc([C@@H]2C[C@H](NCC[NH+]3CCCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877145582 1299180141 /nfs/dbraw/zinc/18/01/41/1299180141.db2.gz MCYOZVPENMIMSP-CTNGQTDRSA-N 2 0 327.516 3.430 20 0 EGADRP CSC(C)(C)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000877190399 1299201716 /nfs/dbraw/zinc/20/17/16/1299201716.db2.gz DJPVFMKSRSJYBK-SFHVURJKSA-N 2 0 336.545 3.265 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877448023 1299308638 /nfs/dbraw/zinc/30/86/38/1299308638.db2.gz CAVMWIXWNKHQHZ-NZSAHSFTSA-N 2 0 335.536 3.007 20 0 EGADRP COc1cc(OC)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1F ZINC000877683877 1299476697 /nfs/dbraw/zinc/47/66/97/1299476697.db2.gz LLWAMRZIYSDLOC-UHFFFAOYSA-N 2 0 336.451 3.151 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nccn1Cc1ccccc1)CC2 ZINC000877684495 1299478283 /nfs/dbraw/zinc/47/82/83/1299478283.db2.gz OVVAHHDTEVWROI-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000878445170 1300007854 /nfs/dbraw/zinc/00/78/54/1300007854.db2.gz DVIVIRWYZLIJQO-RLLQIKCJSA-N 2 0 328.500 3.446 20 0 EGADRP COC(=O)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754462304 1300148953 /nfs/dbraw/zinc/14/89/53/1300148953.db2.gz FAHGKDPYTIDTMX-LPHOPBHVSA-N 2 0 344.499 3.145 20 0 EGADRP O[C@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000878746850 1300172115 /nfs/dbraw/zinc/17/21/15/1300172115.db2.gz HIIIAGIZRNEJEV-GOSISDBHSA-N 2 0 349.837 3.120 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)CC2 ZINC000879251273 1300453814 /nfs/dbraw/zinc/45/38/14/1300453814.db2.gz RZMWYTOQTFNWMJ-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cncc(C(F)(F)F)c1)CC2 ZINC000879250505 1300454292 /nfs/dbraw/zinc/45/42/92/1300454292.db2.gz GPLXDWGUCCIYNR-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP C[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000880004855 1300844457 /nfs/dbraw/zinc/84/44/57/1300844457.db2.gz ZOUQAZQIQZCXFU-KRWDZBQOSA-N 2 0 342.405 3.293 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000882626402 1302038513 /nfs/dbraw/zinc/03/85/13/1302038513.db2.gz FPWRAIOBUAVJOF-UHFFFAOYSA-N 2 0 345.531 3.129 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765141650 1302211695 /nfs/dbraw/zinc/21/16/95/1302211695.db2.gz MUNZQEFFLZUCKW-HNNXBMFYSA-N 2 0 343.471 3.168 20 0 EGADRP O=c1oc2ccc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cc2o1 ZINC000883031056 1302214267 /nfs/dbraw/zinc/21/42/67/1302214267.db2.gz IAZFCTBNPQZHST-UHFFFAOYSA-N 2 0 330.428 3.273 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000883084869 1302239629 /nfs/dbraw/zinc/23/96/29/1302239629.db2.gz CZJFTLUKPOMNQH-ZFWWWQNUSA-N 2 0 330.428 3.129 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC000883461833 1302451943 /nfs/dbraw/zinc/45/19/43/1302451943.db2.gz DYMQQHJDBYDERT-UXHICEINSA-N 2 0 346.515 3.266 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000768181618 1302847709 /nfs/dbraw/zinc/84/77/09/1302847709.db2.gz RVZQTCOEQSHTCQ-SFHVURJKSA-N 2 0 326.440 3.020 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769682854 1303157444 /nfs/dbraw/zinc/15/74/44/1303157444.db2.gz BGLNFLZBCSJLDD-YYIAUSFCSA-N 2 0 341.540 3.388 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC000769681296 1303157623 /nfs/dbraw/zinc/15/76/23/1303157623.db2.gz OJFNYICPAGIITM-DLBZAZTESA-N 2 0 341.540 3.390 20 0 EGADRP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000769873654 1303186701 /nfs/dbraw/zinc/18/67/01/1303186701.db2.gz HPKGQCOZSILQKA-AWEZNQCLSA-N 2 0 331.460 3.337 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc(C[NH+]2CCCC2)c1 ZINC000885916161 1303274099 /nfs/dbraw/zinc/27/40/99/1303274099.db2.gz QFILFVZAJVMCJS-HXUWFJFHSA-N 2 0 344.499 3.100 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000770510017 1303280382 /nfs/dbraw/zinc/28/03/82/1303280382.db2.gz HBSMZJDMAKHQDY-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C(=O)C(C)(C)C2(C)C)CC1)CC1CC1 ZINC000770688182 1303306684 /nfs/dbraw/zinc/30/66/84/1303306684.db2.gz WFJLEICAEIRQPV-UHFFFAOYSA-N 2 0 349.563 3.425 20 0 EGADRP CC(C)(C)C(=O)N1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886503885 1303479063 /nfs/dbraw/zinc/47/90/63/1303479063.db2.gz JHPIDDYNGJHPAP-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886529097 1303488618 /nfs/dbraw/zinc/48/86/18/1303488618.db2.gz WJWXXFQPTCAQNJ-BOHSKOPMSA-N 2 0 335.536 3.020 20 0 EGADRP O[C@@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217218 1303504861 /nfs/dbraw/zinc/50/48/61/1303504861.db2.gz JBFZYZFZVJUQSA-SNRMKQJTSA-N 2 0 334.891 3.322 20 0 EGADRP CCC1([NH+]2CCC2)CCN([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000886707885 1303572700 /nfs/dbraw/zinc/57/27/00/1303572700.db2.gz VOOWUHJIKPHHKG-OKZBNKHCSA-N 2 0 335.536 3.115 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2(O)CCCC2)ccc1OC ZINC000775391251 1303953897 /nfs/dbraw/zinc/95/38/97/1303953897.db2.gz SGQGJLIVDWXFPQ-MRXNPFEDSA-N 2 0 334.504 3.493 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000780285407 1304671817 /nfs/dbraw/zinc/67/18/17/1304671817.db2.gz JJRHGOIZVNNRFP-SBHAEUEKSA-N 2 0 341.543 3.207 20 0 EGADRP C[C@H](NC(=O)CCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781203312 1304790392 /nfs/dbraw/zinc/79/03/92/1304790392.db2.gz DAIVEUDMTKIABK-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CCN([C@H](C[NH2+]CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000892436396 1305370745 /nfs/dbraw/zinc/37/07/45/1305370745.db2.gz ZWEGJKLBSWZKQZ-GOSISDBHSA-N 2 0 335.561 3.453 20 0 EGADRP COc1ccccc1[C@@H](C[NH2+]CC1CC[NH+](C)CC1)N1CCCCC1 ZINC000892626248 1305477650 /nfs/dbraw/zinc/47/76/50/1305477650.db2.gz PXGKDNPZPJKGPT-HXUWFJFHSA-N 2 0 345.531 3.154 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000788481636 1305952585 /nfs/dbraw/zinc/95/25/85/1305952585.db2.gz HDPSPQFMKHCNLB-LJQANCHMSA-N 2 0 336.907 3.427 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000788489676 1305955407 /nfs/dbraw/zinc/95/54/07/1305955407.db2.gz ZSWMRWIESJOGMX-LJQANCHMSA-N 2 0 344.503 3.004 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C/c3cccc(F)c3)CC2)CC1 ZINC000894459197 1308901409 /nfs/dbraw/zinc/90/14/09/1308901409.db2.gz GKSKJOFEWGMQTF-GQCTYLIASA-N 2 0 345.506 3.188 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)C2)cc1 ZINC000793207688 1309316794 /nfs/dbraw/zinc/31/67/94/1309316794.db2.gz RIZXEEAOYNEREL-NCXUSEDFSA-N 2 0 348.581 3.478 20 0 EGADRP CN(CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000799177110 1310499827 /nfs/dbraw/zinc/49/98/27/1310499827.db2.gz LIPOIUPYEFACOG-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CCO)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898170886 1310612021 /nfs/dbraw/zinc/61/20/21/1310612021.db2.gz NHMYCJCVRYVHDA-PGRDOPGGSA-N 2 0 338.495 3.222 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000898611805 1310803855 /nfs/dbraw/zinc/80/38/55/1310803855.db2.gz SYVPASXSUYJLOP-RMFNQSEZSA-N 2 0 336.520 3.351 20 0 EGADRP CCc1ccc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000827390847 1320449849 /nfs/dbraw/zinc/44/98/49/1320449849.db2.gz SNZJREZBDIEGST-SFHVURJKSA-N 2 0 339.483 3.274 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857281323 1328525791 /nfs/dbraw/zinc/52/57/91/1328525791.db2.gz XQTAHXDHYGWOEI-PXNSSMCTSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857282811 1328526350 /nfs/dbraw/zinc/52/63/50/1328526350.db2.gz IHSALDWGAAUEQA-UXHICEINSA-N 2 0 343.515 3.051 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018938672 1316980691 /nfs/dbraw/zinc/98/06/91/1316980691.db2.gz XKONFROGQIJTLH-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](Cc1cccc(-c2ccc(F)c(C[C@@H](C[NH3+])CO)c2)c1)C1CC1 ZINC000899323766 1316992766 /nfs/dbraw/zinc/99/27/66/1316992766.db2.gz IIFFHPYJTLLLQA-INIZCTEOSA-N 2 0 342.458 3.197 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001019274619 1317141113 /nfs/dbraw/zinc/14/11/13/1317141113.db2.gz IHXRDDFEOVHUMU-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC000957278263 1317256521 /nfs/dbraw/zinc/25/65/21/1317256521.db2.gz HPFBXWWSIXTLQZ-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900349542 1317280065 /nfs/dbraw/zinc/28/00/65/1317280065.db2.gz BPMSXQUMBSVWPQ-VQTJNVASSA-N 2 0 341.499 3.280 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001019592949 1317299005 /nfs/dbraw/zinc/29/90/05/1317299005.db2.gz ABNLJXCPHKQQBU-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001019822955 1317439939 /nfs/dbraw/zinc/43/99/39/1317439939.db2.gz RBYPYXOHHWHUQT-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568563 1317466542 /nfs/dbraw/zinc/46/65/42/1317466542.db2.gz LANGSLWCSZOUFA-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000806172736 1317469458 /nfs/dbraw/zinc/46/94/58/1317469458.db2.gz SMQJJUBTHIEGDT-RCBQFDQVSA-N 2 0 330.394 3.059 20 0 EGADRP CNc1ccc(C)cc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000902076942 1317517934 /nfs/dbraw/zinc/51/79/34/1317517934.db2.gz DWILRTCKFFMSKR-UHFFFAOYSA-N 2 0 327.472 3.267 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647431 1317518104 /nfs/dbraw/zinc/51/81/04/1317518104.db2.gz HRRKCPCNLZUWTR-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cn1 ZINC000902503560 1317584558 /nfs/dbraw/zinc/58/45/58/1317584558.db2.gz SOWIVPNYXLLTMK-SOVGHPHASA-N 2 0 327.403 3.127 20 0 EGADRP CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000957725603 1317591054 /nfs/dbraw/zinc/59/10/54/1317591054.db2.gz AUVGUQAENLDXFS-UUKMXZOPSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020207637 1317594087 /nfs/dbraw/zinc/59/40/87/1317594087.db2.gz KVKVZSCYZKEACN-WKILWMFISA-N 2 0 349.544 3.096 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C[NH+](CC)C(C)C)CC2)C1 ZINC000957744360 1317609015 /nfs/dbraw/zinc/60/90/15/1317609015.db2.gz GZIYXMFKGIXNOK-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000902789613 1317616722 /nfs/dbraw/zinc/61/67/22/1317616722.db2.gz LJCIHLGJBLESHS-PWRODBHTSA-N 2 0 330.516 3.488 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902839884 1317623602 /nfs/dbraw/zinc/62/36/02/1317623602.db2.gz VXMUSYQJTBHMKJ-TZMCWYRMSA-N 2 0 333.398 3.108 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001020285919 1317627025 /nfs/dbraw/zinc/62/70/25/1317627025.db2.gz LTJGAMBIGIVXIU-WGSAOQKQSA-N 2 0 347.547 3.070 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000957774598 1317638890 /nfs/dbraw/zinc/63/88/90/1317638890.db2.gz VDVMXGZZYMTYHF-VQTJNVASSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1ccc(C2CC([NH2+][C@@H]3C[C@@]4(C[N@@H+](C)[C@H]4C(C)C)C[C@H]3O)C2)cc1 ZINC000903115133 1317655458 /nfs/dbraw/zinc/65/54/58/1317655458.db2.gz LTEHOOOQUAFMKV-USCUULNTSA-N 2 0 342.527 3.310 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001020353241 1317657085 /nfs/dbraw/zinc/65/70/85/1317657085.db2.gz WGXJVFWEOQQYGB-WGSAOQKQSA-N 2 0 348.450 3.002 20 0 EGADRP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000903119720 1317657440 /nfs/dbraw/zinc/65/74/40/1317657440.db2.gz JVIOIGSRSIABQB-UZKILMIQSA-N 2 0 334.504 3.362 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000903129627 1317660368 /nfs/dbraw/zinc/66/03/68/1317660368.db2.gz ZMRAMAQBTVIWEE-UJMXGEILSA-N 2 0 342.483 3.113 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903214065 1317675225 /nfs/dbraw/zinc/67/52/25/1317675225.db2.gz WRYVAZFBFWAEJZ-CLORWUCXSA-N 2 0 339.527 3.317 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCOCC2)[C@@H](C)C1 ZINC000903244669 1317681683 /nfs/dbraw/zinc/68/16/83/1317681683.db2.gz ARMMGBRCCPFWMB-PKOBYXMFSA-N 2 0 340.552 3.166 20 0 EGADRP COc1cccc(-c2cc(C[NH2+][C@@H](C)C3CC[NH+](C)CC3)on2)c1 ZINC000903295017 1317683857 /nfs/dbraw/zinc/68/38/57/1317683857.db2.gz NBFDALRVKICONM-AWEZNQCLSA-N 2 0 329.444 3.170 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C)cc1C[NH+]1CCCCC1 ZINC000903322153 1317686637 /nfs/dbraw/zinc/68/66/37/1317686637.db2.gz MDJIQRDAHLCZPM-VQIMIIECSA-N 2 0 331.504 3.036 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C)cc1C[NH+]1CCCCC1 ZINC000903322152 1317686662 /nfs/dbraw/zinc/68/66/62/1317686662.db2.gz MDJIQRDAHLCZPM-QFBILLFUSA-N 2 0 331.504 3.036 20 0 EGADRP c1ccc2c(c1)CC[C@H]2[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722751 1317725149 /nfs/dbraw/zinc/72/51/49/1317725149.db2.gz OKWIKWXFHQRYPU-UYAOXDASSA-N 2 0 326.484 3.297 20 0 EGADRP C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728381 1317725486 /nfs/dbraw/zinc/72/54/86/1317725486.db2.gz ABVOLZLBEXJGFB-VQTJNVASSA-N 2 0 328.500 3.199 20 0 EGADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[C@@H]1c1ccccc1 ZINC000903734952 1317726960 /nfs/dbraw/zinc/72/69/60/1317726960.db2.gz XVMLWJYZSLVEIM-HZEGPAAWSA-N 2 0 328.500 3.271 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1c1ccccc1 ZINC000903735426 1317728104 /nfs/dbraw/zinc/72/81/04/1317728104.db2.gz ZUOPKCMZYAZODC-MISYRCLQSA-N 2 0 328.500 3.271 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3)C2)C1 ZINC001020500034 1317730977 /nfs/dbraw/zinc/73/09/77/1317730977.db2.gz LTMDEBDBYJMMSJ-RNQOJCNYSA-N 2 0 343.515 3.106 20 0 EGADRP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000903759879 1317731133 /nfs/dbraw/zinc/73/11/33/1317731133.db2.gz STYHHRVJUODWOG-RHSMWYFYSA-N 2 0 343.446 3.313 20 0 EGADRP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786945 1317734532 /nfs/dbraw/zinc/73/45/32/1317734532.db2.gz QZTJCHUQXAYGPT-SJLPKXTDSA-N 2 0 342.483 3.181 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903790823 1317735603 /nfs/dbraw/zinc/73/56/03/1317735603.db2.gz BZQILEXBOKEACA-UHFFFAOYSA-N 2 0 326.488 3.265 20 0 EGADRP FC(F)(F)c1ccn([C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903912179 1317748016 /nfs/dbraw/zinc/74/80/16/1317748016.db2.gz ARFUMHWQPONKRR-DKUMPPAJSA-N 2 0 342.409 3.069 20 0 EGADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000904355723 1317835049 /nfs/dbraw/zinc/83/50/49/1317835049.db2.gz WZUIZTBFXXIXJT-QXAKKESOSA-N 2 0 335.511 3.262 20 0 EGADRP COc1ccc(C2(C[NH2+]C3CC(C[NH3+])C3)CCCCC2)cc1OC ZINC000904359421 1317835086 /nfs/dbraw/zinc/83/50/86/1317835086.db2.gz MLAIBHJVJARDKZ-UHFFFAOYSA-N 2 0 332.488 3.233 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405561 1317842935 /nfs/dbraw/zinc/84/29/35/1317842935.db2.gz OAOKNRNPHRNJPC-MRXNPFEDSA-N 2 0 346.906 3.372 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnc([C@@H](C)O)s2)CC1 ZINC000809625534 1317849243 /nfs/dbraw/zinc/84/92/43/1317849243.db2.gz JNYZZGZZSMWDGQ-CQSZACIVSA-N 2 0 325.522 3.044 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000904456034 1317849698 /nfs/dbraw/zinc/84/96/98/1317849698.db2.gz FJZRDVRVNQLTAT-UHFFFAOYSA-N 2 0 334.463 3.455 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001020673400 1317850092 /nfs/dbraw/zinc/85/00/92/1317850092.db2.gz KHNPDDIQQZIRPU-SZMVWBNQSA-N 2 0 349.544 3.058 20 0 EGADRP Cn1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000904458960 1317850472 /nfs/dbraw/zinc/85/04/72/1317850472.db2.gz LHCSHWBDIXWQTH-UHFFFAOYSA-N 2 0 340.515 3.210 20 0 EGADRP Cc1cc(F)ccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474831 1317852043 /nfs/dbraw/zinc/85/20/43/1317852043.db2.gz LIRNKJYTNOSPNR-QUCCMNQESA-N 2 0 326.415 3.480 20 0 EGADRP C[NH+]1CCC2(CCN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)CC2)CC1 ZINC000904605514 1317868779 /nfs/dbraw/zinc/86/87/79/1317868779.db2.gz WOBWASCKMIHIKE-UHFFFAOYSA-N 2 0 344.503 3.220 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000809739036 1317885016 /nfs/dbraw/zinc/88/50/16/1317885016.db2.gz UYTXKGZHSOVZLP-UHFFFAOYSA-N 2 0 335.455 3.165 20 0 EGADRP Cc1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000905095269 1317923600 /nfs/dbraw/zinc/92/36/00/1317923600.db2.gz DCQKWNSPQGCOGA-UNMCSNQZSA-N 2 0 338.495 3.183 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129038 1317959026 /nfs/dbraw/zinc/95/90/26/1317959026.db2.gz RNPZWPUBJBXGKV-WMZOPIPTSA-N 2 0 329.488 3.338 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001020906012 1317992022 /nfs/dbraw/zinc/99/20/22/1317992022.db2.gz CEQKZVMSRVCIFW-UFYCRDLUSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001021089382 1318077129 /nfs/dbraw/zinc/07/71/29/1318077129.db2.gz BTEQBEFHOZNBRA-PSBWJHGTSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001021380742 1318222773 /nfs/dbraw/zinc/22/27/73/1318222773.db2.gz SIIXCIJDBNFCPC-BPIHKTFHSA-N 2 0 347.547 3.019 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)CC1 ZINC001021401681 1318233228 /nfs/dbraw/zinc/23/32/28/1318233228.db2.gz UXWGGTUTKPMQQF-IHWFROFDSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960095365 1318351022 /nfs/dbraw/zinc/35/10/22/1318351022.db2.gz BQJINEJFRCJSHA-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960098231 1318353441 /nfs/dbraw/zinc/35/34/41/1318353441.db2.gz BDODJNMEUSHOHK-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CNc2cc[nH+]c(CO)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858461381 1328768707 /nfs/dbraw/zinc/76/87/07/1328768707.db2.gz SDBCFKGMBSCOCJ-UGSOOPFHSA-N 2 0 349.837 3.471 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC000960669267 1318785406 /nfs/dbraw/zinc/78/54/06/1318785406.db2.gz VARNOGLGASYLQU-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC000960669269 1318786050 /nfs/dbraw/zinc/78/60/50/1318786050.db2.gz VARNOGLGASYLQU-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960679220 1318789276 /nfs/dbraw/zinc/78/92/76/1318789276.db2.gz CERVBQSGGQCNTK-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(C)ccc1C)[NH+](C)C ZINC000960709511 1318813928 /nfs/dbraw/zinc/81/39/28/1318813928.db2.gz LYQPVIBYRDPFED-WOJBJXKFSA-N 2 0 345.531 3.066 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001022165038 1318825805 /nfs/dbraw/zinc/82/58/05/1318825805.db2.gz STMINAKGVXDRIW-RSPOEFSDSA-N 2 0 343.515 3.167 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC000858534206 1328790759 /nfs/dbraw/zinc/79/07/59/1328790759.db2.gz XLWGTHIEHCLWIV-IBGZPJMESA-N 2 0 325.456 3.287 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001022201676 1318840604 /nfs/dbraw/zinc/84/06/04/1318840604.db2.gz KXKLGUZBZVOGGS-WSTZPKSXSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCC2)CC[N@@H+]1C ZINC000960822809 1318949386 /nfs/dbraw/zinc/94/93/86/1318949386.db2.gz NEKWKAGGTVSKFJ-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)CC1CCCCCC1 ZINC000960840612 1318975645 /nfs/dbraw/zinc/97/56/45/1318975645.db2.gz YEHXADNGIPHUPC-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815577945 1319019220 /nfs/dbraw/zinc/01/92/20/1319019220.db2.gz DIAMHIPRITVTTB-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CC(C)C2)CC1 ZINC000960960538 1319091430 /nfs/dbraw/zinc/09/14/30/1319091430.db2.gz XAQYHEYHZBDWDW-QLOJAFMTSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022807500 1319118732 /nfs/dbraw/zinc/11/87/32/1319118732.db2.gz IODDPIUMNCEKFW-OTWHNJEPSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001022809452 1319120518 /nfs/dbraw/zinc/12/05/18/1319120518.db2.gz MHWZEYGWWFBXFU-QGZVKYPTSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001022885758 1319150804 /nfs/dbraw/zinc/15/08/04/1319150804.db2.gz NZVXOLFAHQMZCW-GBESFXJTSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3)C2)CC1 ZINC001022921809 1319171710 /nfs/dbraw/zinc/17/17/10/1319171710.db2.gz OXJZDPGLYBWAKH-AHRSYUTCSA-N 2 0 343.515 3.105 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)c1 ZINC001023126360 1319273734 /nfs/dbraw/zinc/27/37/34/1319273734.db2.gz SMUKWWAPWZUUSP-BGYRXZFFSA-N 2 0 343.515 3.179 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000961170691 1319288675 /nfs/dbraw/zinc/28/86/75/1319288675.db2.gz QVBWEORPMJEXHO-HOTGVXAUSA-N 2 0 349.544 3.004 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189314 1319304591 /nfs/dbraw/zinc/30/45/91/1319304591.db2.gz ZCEFJLPCGMVZTK-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000817416277 1319354564 /nfs/dbraw/zinc/35/45/64/1319354564.db2.gz XTCOTZYWKUKMDA-UHFFFAOYSA-N 2 0 348.491 3.391 20 0 EGADRP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961270630 1319421640 /nfs/dbraw/zinc/42/16/40/1319421640.db2.gz LOGWRIBXNDEPIG-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000817899991 1319454461 /nfs/dbraw/zinc/45/44/61/1319454461.db2.gz JJTXJONRXDKWCG-KZNAEPCWSA-N 2 0 332.488 3.493 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000817906131 1319456669 /nfs/dbraw/zinc/45/66/69/1319456669.db2.gz UTEHHRMGRXRHAD-DVOMOZLQSA-N 2 0 328.859 3.413 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000817922686 1319461582 /nfs/dbraw/zinc/46/15/82/1319461582.db2.gz KBIAYUVZSAXTTO-XIKOKIGWSA-N 2 0 333.863 3.060 20 0 EGADRP C[C@]1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1(Cl)Cl ZINC000817935311 1319465315 /nfs/dbraw/zinc/46/53/15/1319465315.db2.gz BSPTWWDLEHRQNW-IMJJTQAJSA-N 2 0 341.282 3.416 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817948784 1319473562 /nfs/dbraw/zinc/47/35/62/1319473562.db2.gz KZELWKYFRJKHCR-OAQYLSRUSA-N 2 0 349.482 3.009 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cnn(Cc2ccccc2)c1 ZINC000817949180 1319473884 /nfs/dbraw/zinc/47/38/84/1319473884.db2.gz NGCYUJBKQVHDTH-QGZVFWFLSA-N 2 0 334.467 3.283 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(C(=O)OC)cc1 ZINC000817947875 1319473971 /nfs/dbraw/zinc/47/39/71/1319473971.db2.gz DMIYZUOSNJRJCQ-LJQANCHMSA-N 2 0 326.440 3.215 20 0 EGADRP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC ZINC000817949991 1319475078 /nfs/dbraw/zinc/47/50/78/1319475078.db2.gz VYWOCJCDNOFTMD-CYBMUJFWSA-N 2 0 332.419 3.195 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000817972065 1319481313 /nfs/dbraw/zinc/48/13/13/1319481313.db2.gz SVPNASZJWAZUCW-GJYPPUQNSA-N 3 0 333.520 3.328 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001023381084 1319487495 /nfs/dbraw/zinc/48/74/95/1319487495.db2.gz MVVWBKZMSJNOLI-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CCCCCCC1 ZINC000915884611 1319555889 /nfs/dbraw/zinc/55/58/89/1319555889.db2.gz LOGORAUMJFYQAZ-UHFFFAOYSA-N 2 0 340.556 3.014 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818943696 1319582847 /nfs/dbraw/zinc/58/28/47/1319582847.db2.gz XTGQBKMSKAMCIN-HXUWFJFHSA-N 2 0 330.447 3.491 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000818959467 1319590103 /nfs/dbraw/zinc/59/01/03/1319590103.db2.gz KVFRKQDQQXFNBT-QGZVFWFLSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000818968628 1319595821 /nfs/dbraw/zinc/59/58/21/1319595821.db2.gz DAMJRDOGDACTAK-PBHICJAKSA-N 2 0 344.421 3.450 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000818969627 1319596506 /nfs/dbraw/zinc/59/65/06/1319596506.db2.gz REMNWBMROVDUEV-WMLDXEAASA-N 2 0 344.421 3.450 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000818981744 1319603912 /nfs/dbraw/zinc/60/39/12/1319603912.db2.gz XZLWOXUBLCTNAV-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818984419 1319605284 /nfs/dbraw/zinc/60/52/84/1319605284.db2.gz HBIJUPCSUNIUQI-PBHICJAKSA-N 2 0 344.421 3.449 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819132949 1319643063 /nfs/dbraw/zinc/64/30/63/1319643063.db2.gz JJUIAQMROHVDSU-IOASZLSFSA-N 2 0 330.394 3.201 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)c3ccccc3F)CC2)CC1 ZINC000819187509 1319662211 /nfs/dbraw/zinc/66/22/11/1319662211.db2.gz LWSIPWGPIOOOGI-LBXVMSDZSA-N 2 0 334.479 3.492 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552895 1319663039 /nfs/dbraw/zinc/66/30/39/1319663039.db2.gz QNASSHADSWKBKY-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CCCC1 ZINC000819226705 1319675281 /nfs/dbraw/zinc/67/52/81/1319675281.db2.gz IXNPWPPLXNNMPB-MRXNPFEDSA-N 2 0 328.859 3.224 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1C(F)(F)F ZINC000819268245 1319684424 /nfs/dbraw/zinc/68/44/24/1319684424.db2.gz QEACTMWQLLWHAJ-KRWDZBQOSA-N 2 0 342.405 3.203 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962023719 1319803017 /nfs/dbraw/zinc/80/30/17/1319803017.db2.gz GLSMMLQLGXFADY-NKELODKYSA-N 2 0 349.563 3.027 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023696410 1319819360 /nfs/dbraw/zinc/81/93/60/1319819360.db2.gz MLEICTQWJAZIPA-WOJBJXKFSA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023696408 1319821674 /nfs/dbraw/zinc/82/16/74/1319821674.db2.gz MLEICTQWJAZIPA-UXHICEINSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763103 1319910315 /nfs/dbraw/zinc/91/03/15/1319910315.db2.gz CRRWRLMYSAMBOK-SFHVURJKSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000820806562 1319956093 /nfs/dbraw/zinc/95/60/93/1319956093.db2.gz KZWVWHYSTKDXGO-INIZCTEOSA-N 2 0 327.476 3.038 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809419 1319957210 /nfs/dbraw/zinc/95/72/10/1319957210.db2.gz AFUMDUOAJRHGKY-MAUKXSAKSA-N 2 0 347.503 3.408 20 0 EGADRP CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000820810782 1319958872 /nfs/dbraw/zinc/95/88/72/1319958872.db2.gz FBNKOWCQJRGJLP-INIZCTEOSA-N 2 0 339.483 3.001 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000962479095 1319975609 /nfs/dbraw/zinc/97/56/09/1319975609.db2.gz CYBWDCYKQKIRKV-UHFFFAOYSA-N 2 0 349.563 3.027 20 0 EGADRP ClC1(Cl)C[C@@H]1CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000822593288 1320101841 /nfs/dbraw/zinc/10/18/41/1320101841.db2.gz XMYGELMFEJLITQ-HNNXBMFYSA-N 2 0 335.319 3.005 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000822920407 1320137125 /nfs/dbraw/zinc/13/71/25/1320137125.db2.gz UWBQKWVVWKCKIM-MRXNPFEDSA-N 2 0 344.459 3.272 20 0 EGADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCCC2)o1 ZINC000824366002 1320250826 /nfs/dbraw/zinc/25/08/26/1320250826.db2.gz GIGWUILISPWYTQ-ROUUACIJSA-N 2 0 345.487 3.012 20 0 EGADRP Cc1ccc([C@@H](O)[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000839093340 1320867907 /nfs/dbraw/zinc/86/79/07/1320867907.db2.gz YQMSTRKSCQQIEM-JXFKEZNVSA-N 2 0 325.456 3.071 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000839480079 1320927056 /nfs/dbraw/zinc/92/70/56/1320927056.db2.gz OZYOJDXGTHRQSF-FQEVSTJZSA-N 2 0 344.499 3.257 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032689 1321204370 /nfs/dbraw/zinc/20/43/70/1321204370.db2.gz FHLPWHRDLMALRG-IBGZPJMESA-N 2 0 342.483 3.316 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(OC(F)F)c1 ZINC000841032249 1321204779 /nfs/dbraw/zinc/20/47/79/1321204779.db2.gz QFVQKYCMNHHBSD-UHFFFAOYSA-N 2 0 336.382 3.088 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000841081983 1321215409 /nfs/dbraw/zinc/21/54/09/1321215409.db2.gz GNYVEVKGIUIYOZ-FPCVCCKLSA-N 2 0 346.462 3.098 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CC2)cc1C[NH+]1CCCCC1 ZINC000841764347 1321308834 /nfs/dbraw/zinc/30/88/34/1321308834.db2.gz WUVVNSPJXYKUMP-QGZVFWFLSA-N 2 0 345.531 3.426 20 0 EGADRP CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000842473174 1321393176 /nfs/dbraw/zinc/39/31/76/1321393176.db2.gz QKCVXORCDIRKRH-CTNGQTDRSA-N 2 0 342.483 3.101 20 0 EGADRP O[C@@H](C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1cccs1 ZINC000842472903 1321393303 /nfs/dbraw/zinc/39/33/03/1321393303.db2.gz KJDISXYCGKBYDV-WMZOPIPTSA-N 2 0 330.497 3.283 20 0 EGADRP C[N@H+](CCCC[NH2+]Cc1cc(Br)cnc1Cl)C1CC1 ZINC000842712255 1321423094 /nfs/dbraw/zinc/42/30/94/1321423094.db2.gz KSJDKOAAVULONL-UHFFFAOYSA-N 2 0 346.700 3.462 20 0 EGADRP COc1cc(Br)c(C[NH2+]CCCCCC[NH3+])cc1OC ZINC000843127683 1321474506 /nfs/dbraw/zinc/47/45/06/1321474506.db2.gz GANOQPBBPQTCHM-UHFFFAOYSA-N 2 0 345.281 3.075 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCCCC[NH3+])c(Cl)c1 ZINC000843126540 1321474512 /nfs/dbraw/zinc/47/45/12/1321474512.db2.gz INQKYQFBSCWWRE-CQSZACIVSA-N 2 0 325.884 3.474 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000843178413 1321482214 /nfs/dbraw/zinc/48/22/14/1321482214.db2.gz PLSDIWWRDQHEQU-MRXNPFEDSA-N 2 0 346.475 3.374 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(C[C@H]([NH3+])C4CC4)n3)cc2)CC1 ZINC000843201393 1321486831 /nfs/dbraw/zinc/48/68/31/1321486831.db2.gz SMCMYDXUWFSRPT-SFHVURJKSA-N 2 0 340.471 3.248 20 0 EGADRP O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000843339715 1321501956 /nfs/dbraw/zinc/50/19/56/1321501956.db2.gz GNOODGMFOSPQQW-OQEHDIDLSA-N 2 0 336.479 3.439 20 0 EGADRP O[C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000843339713 1321502322 /nfs/dbraw/zinc/50/23/22/1321502322.db2.gz GNOODGMFOSPQQW-ITBHCLRTSA-N 2 0 336.479 3.439 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000843340271 1321502414 /nfs/dbraw/zinc/50/24/14/1321502414.db2.gz KVVUYJURFAJVBF-BXIMHZBSSA-N 2 0 343.298 3.393 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000843344345 1321502891 /nfs/dbraw/zinc/50/28/91/1321502891.db2.gz WLEGZNDZZYRZSY-ZWKOTPCHSA-N 2 0 347.503 3.413 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000844164844 1321575084 /nfs/dbraw/zinc/57/50/84/1321575084.db2.gz UWPXTNRLJSEOMZ-IBGZPJMESA-N 2 0 331.504 3.192 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000844907830 1321657009 /nfs/dbraw/zinc/65/70/09/1321657009.db2.gz ACZUPLLOHQMPAR-DOTOQJQBSA-N 2 0 326.444 3.002 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000844926563 1321659462 /nfs/dbraw/zinc/65/94/62/1321659462.db2.gz WJICXTIHEIHKGA-HNNXBMFYSA-N 2 0 331.460 3.074 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])c2cc1C ZINC000846225463 1321778513 /nfs/dbraw/zinc/77/85/13/1321778513.db2.gz BTOACIOSDSPBTP-SCLBCKFNSA-N 2 0 328.456 3.359 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000930861092 1328990211 /nfs/dbraw/zinc/99/02/11/1328990211.db2.gz DCCLSGFCKJBGBI-DCXXXQMHSA-N 2 0 346.515 3.295 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)C1 ZINC000848719188 1321999712 /nfs/dbraw/zinc/99/97/12/1321999712.db2.gz WIKZHEQRWMNTQH-SBHAEUEKSA-N 2 0 340.467 3.159 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000849059579 1322061568 /nfs/dbraw/zinc/06/15/68/1322061568.db2.gz VGFIYGYJKTWTHP-IAGOWNOFSA-N 2 0 346.519 3.067 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849059482 1322062374 /nfs/dbraw/zinc/06/23/74/1322062374.db2.gz WSGXEEKIFQKALW-QGZVFWFLSA-N 2 0 346.519 3.163 20 0 EGADRP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000849071964 1322065919 /nfs/dbraw/zinc/06/59/19/1322065919.db2.gz VZQAXDHRLGCVAX-GFCCVEGCSA-N 2 0 344.381 3.396 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000849105405 1322080149 /nfs/dbraw/zinc/08/01/49/1322080149.db2.gz KPZVDLHEYFYQMY-SLFFLAALSA-N 2 0 336.483 3.294 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)ccc1OC ZINC000850513644 1322259561 /nfs/dbraw/zinc/25/95/61/1322259561.db2.gz ALSOKWATZQNEAH-CVEARBPZSA-N 2 0 334.504 3.349 20 0 EGADRP C[C@@H]1Cc2cc(C[NH2+]Cc3ccccc3OCC[NH+](C)C)ccc2O1 ZINC000921622042 1322364700 /nfs/dbraw/zinc/36/47/00/1322364700.db2.gz BHTHATNQULGWOT-MRXNPFEDSA-N 2 0 340.467 3.240 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921624611 1322365315 /nfs/dbraw/zinc/36/53/15/1322365315.db2.gz KTAYMYAAMIQOMZ-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cnn(C3CCC3)c2)cc1 ZINC000921670267 1322375683 /nfs/dbraw/zinc/37/56/83/1322375683.db2.gz FCMJJZUBGVZAJQ-UHFFFAOYSA-N 2 0 342.487 3.228 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000921857829 1322413027 /nfs/dbraw/zinc/41/30/27/1322413027.db2.gz BCYSTLNAHDKLIC-XWTMOSNGSA-N 2 0 326.550 3.018 20 0 EGADRP O[C@@H](c1ccccc1)C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923301237 1322728787 /nfs/dbraw/zinc/72/87/87/1322728787.db2.gz QYOPSMKLPLEMIX-DTHFOOOUSA-N 2 0 328.500 3.353 20 0 EGADRP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923322115 1322734112 /nfs/dbraw/zinc/73/41/12/1322734112.db2.gz JWHBSIKUXLBGRN-NXEWRWPSSA-N 2 0 330.520 3.275 20 0 EGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1)C1CCCC1 ZINC000923423528 1322749194 /nfs/dbraw/zinc/74/91/94/1322749194.db2.gz XIHARZROWQGTOF-YSGRDPCXSA-N 2 0 334.479 3.479 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000923479700 1322759807 /nfs/dbraw/zinc/75/98/07/1322759807.db2.gz BKCKLEYCYZHTKS-AWEZNQCLSA-N 2 0 330.863 3.276 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503267 1322763724 /nfs/dbraw/zinc/76/37/24/1322763724.db2.gz ICKLHQLRIZBQOU-MSOLQXFVSA-N 2 0 343.515 3.424 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001023984580 1323065307 /nfs/dbraw/zinc/06/53/07/1323065307.db2.gz GHBHYVRCRSNYJY-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001023984730 1323065590 /nfs/dbraw/zinc/06/55/90/1323065590.db2.gz JKBNEPSMAWYFMQ-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924630222 1323083628 /nfs/dbraw/zinc/08/36/28/1323083628.db2.gz ZPDMNPBYDUWMEY-INIZCTEOSA-N 2 0 338.927 3.192 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2c(C)oc3ccccc32)CC1 ZINC000924673093 1323106368 /nfs/dbraw/zinc/10/63/68/1323106368.db2.gz VFVDERFOHCROPH-HZPDHXFCSA-N 2 0 329.488 3.418 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnnn1-c1ccccc1 ZINC000924688271 1323113711 /nfs/dbraw/zinc/11/37/11/1323113711.db2.gz SIWBMPOEEPZUHF-ROUUACIJSA-N 2 0 341.503 3.430 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851948532 1323121234 /nfs/dbraw/zinc/12/12/34/1323121234.db2.gz WWAZNWPSNPIYDH-NZSAHSFTSA-N 2 0 332.488 3.028 20 0 EGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924756603 1323147067 /nfs/dbraw/zinc/14/70/67/1323147067.db2.gz NELGMTVUGHVUDA-PXNSSMCTSA-N 2 0 326.484 3.250 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924756122 1323147126 /nfs/dbraw/zinc/14/71/26/1323147126.db2.gz LBYYWNPXCXQNBC-APWZRJJASA-N 2 0 344.474 3.389 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001024118749 1323148760 /nfs/dbraw/zinc/14/87/60/1323148760.db2.gz KAPWSZZUTSDPBS-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cnnn1C ZINC000924862373 1323190647 /nfs/dbraw/zinc/19/06/47/1323190647.db2.gz ULACFKAJJWSPNP-MRXNPFEDSA-N 2 0 327.476 3.042 20 0 EGADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000924964165 1323229870 /nfs/dbraw/zinc/22/98/70/1323229870.db2.gz OTRUDDFISHNLDZ-FXAWDEMLSA-N 2 0 343.515 3.065 20 0 EGADRP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852745424 1323233952 /nfs/dbraw/zinc/23/39/52/1323233952.db2.gz UYFNQLJINKWIJG-VXKWHMMOSA-N 2 0 336.479 3.420 20 0 EGADRP [NH3+]CCCCCC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000852755733 1323237534 /nfs/dbraw/zinc/23/75/34/1323237534.db2.gz CCIVTZJSBNIWFN-UHFFFAOYSA-N 2 0 340.309 3.090 20 0 EGADRP CON1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000925049093 1323256681 /nfs/dbraw/zinc/25/66/81/1323256681.db2.gz GFECPBOMSXWBNY-UHFFFAOYSA-N 2 0 331.504 3.178 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925093831 1323278488 /nfs/dbraw/zinc/27/84/88/1323278488.db2.gz MAEYASJNBJVYHA-IRXDYDNUSA-N 2 0 346.515 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024437869 1323397150 /nfs/dbraw/zinc/39/71/50/1323397150.db2.gz XVURNPSBZZPVTD-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024437868 1323397255 /nfs/dbraw/zinc/39/72/55/1323397255.db2.gz XVURNPSBZZPVTD-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCCC2CCC2)CC[N@@H+]1C ZINC001024448326 1323408069 /nfs/dbraw/zinc/40/80/69/1323408069.db2.gz JKUSHFJYLURRFR-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024467781 1323423256 /nfs/dbraw/zinc/42/32/56/1323423256.db2.gz HCFJENDUWLBYGG-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024469566 1323424769 /nfs/dbraw/zinc/42/47/69/1323424769.db2.gz SZGMWHMGWTZBSB-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024513428 1323464312 /nfs/dbraw/zinc/46/43/12/1323464312.db2.gz PTCCGYKDCCDACS-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024522565 1323470586 /nfs/dbraw/zinc/47/05/86/1323470586.db2.gz GUYUNSNIAIFWBO-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024613874 1323541944 /nfs/dbraw/zinc/54/19/44/1323541944.db2.gz CXTSZRVBNXVIKL-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2=CCCCC2)CC[N@@H+]1C ZINC001024619693 1323547718 /nfs/dbraw/zinc/54/77/18/1323547718.db2.gz AMKJZMMZNGWSPM-YSIASYRMSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CC1 ZINC001024692941 1323608654 /nfs/dbraw/zinc/60/86/54/1323608654.db2.gz UIVWDILONIBIRE-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814064 1323717647 /nfs/dbraw/zinc/71/76/47/1323717647.db2.gz NWJKMLCBWNBLTC-WMZOPIPTSA-N 2 0 349.494 3.081 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814894 1323718666 /nfs/dbraw/zinc/71/86/66/1323718666.db2.gz YACKTOZYDCTZOX-ROUUACIJSA-N 2 0 349.494 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001024978898 1323810672 /nfs/dbraw/zinc/81/06/72/1323810672.db2.gz JCXIBZSCCRZPMG-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001024979675 1323812288 /nfs/dbraw/zinc/81/22/88/1323812288.db2.gz VOMDTLYXKWTTQY-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001024982384 1323812482 /nfs/dbraw/zinc/81/24/82/1323812482.db2.gz NVWUKPQFOASWQD-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025168839 1323937791 /nfs/dbraw/zinc/93/77/91/1323937791.db2.gz YUVDSZUIYXOUDG-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275073 1324094148 /nfs/dbraw/zinc/09/41/48/1324094148.db2.gz RYZNRSAAJGYDNI-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461291 1324305397 /nfs/dbraw/zinc/30/53/97/1324305397.db2.gz RWCJXJVEUXOWIN-WBVHZDCISA-N 2 0 342.487 3.273 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001025525417 1324371930 /nfs/dbraw/zinc/37/19/30/1324371930.db2.gz NYJXYVKACLLQLC-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630417 1324481800 /nfs/dbraw/zinc/48/18/00/1324481800.db2.gz SQNHPICNGOYIDN-IRXDYDNUSA-N 2 0 349.519 3.362 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001026507340 1324855611 /nfs/dbraw/zinc/85/56/11/1324855611.db2.gz PSMJMLFGZUDLNY-AFMYVXGZSA-N 2 0 347.547 3.211 20 0 EGADRP CC1CC[NH+](CC(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)CC1 ZINC001026582536 1324910523 /nfs/dbraw/zinc/91/05/23/1324910523.db2.gz KGKCDCBFSFFYMR-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP C([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242015 1325070360 /nfs/dbraw/zinc/07/03/60/1325070360.db2.gz ZADQMXDKOZPNMT-VQHPVUNQSA-N 2 0 326.575 3.078 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]CC3CCCC3)CC2)CC[N@@H+]1C ZINC000963338103 1325129007 /nfs/dbraw/zinc/12/90/07/1325129007.db2.gz PQQFYLVLKFEJTR-GHBBCFCZSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1 ZINC000925384030 1325136178 /nfs/dbraw/zinc/13/61/78/1325136178.db2.gz BEPABHBSIJFYBS-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001027021620 1325159008 /nfs/dbraw/zinc/15/90/08/1325159008.db2.gz RGGKTVNYFLJRCY-IHPCNDPISA-N 2 0 349.563 3.125 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(Br)s1 ZINC000925489783 1325173938 /nfs/dbraw/zinc/17/39/38/1325173938.db2.gz FRLYGLUMIMHNIW-QLHKPRNWSA-N 2 0 329.307 3.159 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963385241 1325185379 /nfs/dbraw/zinc/18/53/79/1325185379.db2.gz BFMDCADJWFXIRC-ACBHZAAOSA-N 2 0 335.536 3.020 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000925515749 1325185496 /nfs/dbraw/zinc/18/54/96/1325185496.db2.gz APDDCOCJRMGTGG-SFYZZRBRSA-N 2 0 327.497 3.458 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN[C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925522056 1325188600 /nfs/dbraw/zinc/18/86/00/1325188600.db2.gz QMQDWLVOGFMHHD-UXHICEINSA-N 2 0 327.516 3.163 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000925542711 1325200209 /nfs/dbraw/zinc/20/02/09/1325200209.db2.gz OICBEPHAFORGGZ-RLLQIKCJSA-N 2 0 327.516 3.304 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925558851 1325208488 /nfs/dbraw/zinc/20/84/88/1325208488.db2.gz RUOUZJZAFMCKRA-UNQWTFHNSA-N 2 0 345.918 3.061 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000925560022 1325209197 /nfs/dbraw/zinc/20/91/97/1325209197.db2.gz VYPMQWOALLEQJO-MOPGFXCFSA-N 3 0 347.934 3.412 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000925600134 1325229038 /nfs/dbraw/zinc/22/90/38/1325229038.db2.gz FIGNIRJKEWGVDF-HXUWFJFHSA-N 2 0 337.467 3.149 20 0 EGADRP C[C@H](C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001027104008 1325229096 /nfs/dbraw/zinc/22/90/96/1325229096.db2.gz KHBLHWVYOMYBSD-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001027105151 1325230125 /nfs/dbraw/zinc/23/01/25/1325230125.db2.gz GHNQSSKPAAPHFY-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(c3ccc(Cl)c(F)c3)C1)[NH2+]2 ZINC000925625591 1325236762 /nfs/dbraw/zinc/23/67/62/1325236762.db2.gz GTSIRRPKFURAFA-YXCOWNBQSA-N 2 0 337.870 3.176 20 0 EGADRP C[NH+](C)[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925642953 1325244749 /nfs/dbraw/zinc/24/47/49/1325244749.db2.gz UOBIKTBUOBUIDT-BZUAXINKSA-N 2 0 341.421 3.168 20 0 EGADRP COCCC[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(Cl)cc1 ZINC000925664017 1325254856 /nfs/dbraw/zinc/25/48/56/1325254856.db2.gz BVQQXCFRJFBOOC-RBLKCTMESA-N 2 0 348.918 3.436 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C12CCC2 ZINC000925668102 1325256067 /nfs/dbraw/zinc/25/60/67/1325256067.db2.gz GSKYIEBNSHXVOJ-LSDHHAIUSA-N 2 0 348.288 3.332 20 0 EGADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C(=O)NCc1cccs1 ZINC000925713814 1325267374 /nfs/dbraw/zinc/26/73/74/1325267374.db2.gz UNZBEPLAIRLKOX-QZTJIDSGSA-N 2 0 345.512 3.213 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000925713646 1325267772 /nfs/dbraw/zinc/26/77/72/1325267772.db2.gz MCLARGQAFRZZSJ-HPTUHVSXSA-N 2 0 333.907 3.272 20 0 EGADRP COc1ccccc1-c1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925716800 1325268301 /nfs/dbraw/zinc/26/83/01/1325268301.db2.gz QEINFQSEVDKRRV-ZIAGYGMSSA-N 2 0 329.444 3.346 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(c3ccc(Cl)cc3F)C1)[NH2+]2 ZINC000925719003 1325269900 /nfs/dbraw/zinc/26/99/00/1325269900.db2.gz PFQLLKSNOROLHD-RZQILNRJSA-N 2 0 337.870 3.176 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CC[NH2+]CC3)cc1)CC2 ZINC000925810020 1325311316 /nfs/dbraw/zinc/31/13/16/1325311316.db2.gz UHPRUIHFMAZWHA-NRFANRHFSA-N 2 0 339.458 3.008 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC000963631801 1325348327 /nfs/dbraw/zinc/34/83/27/1325348327.db2.gz MAHORNBNILCBLV-MBEFBZSESA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC000963907199 1325429970 /nfs/dbraw/zinc/42/99/70/1325429970.db2.gz DGYAMHMFMJWPAS-FAEJEUNOSA-N 2 0 349.544 3.092 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(-n2cnnc2)c1 ZINC000926141153 1325445071 /nfs/dbraw/zinc/44/50/71/1325445071.db2.gz GUWLSYRRLCPGDO-DLBZAZTESA-N 2 0 327.476 3.182 20 0 EGADRP C[C@@H](C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC000964015593 1325476112 /nfs/dbraw/zinc/47/61/12/1325476112.db2.gz WJLSZUHUYTUVMX-KKXNLOMOSA-N 2 0 349.563 3.410 20 0 EGADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000964186527 1325486487 /nfs/dbraw/zinc/48/64/87/1325486487.db2.gz UDRDEDKJOSCANE-HDYDNRTBSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(-n2cnnc2)c1 ZINC000926274235 1325499199 /nfs/dbraw/zinc/49/91/99/1325499199.db2.gz GGOSUBQYEYRNAS-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926275499 1325500287 /nfs/dbraw/zinc/50/02/87/1325500287.db2.gz PCZRPJHHWQRMTG-DNVCBOLYSA-N 2 0 349.494 3.103 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926275504 1325500657 /nfs/dbraw/zinc/50/06/57/1325500657.db2.gz PCZRPJHHWQRMTG-KXBFYZLASA-N 2 0 349.494 3.103 20 0 EGADRP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)[C@H](O)c1ccccc1 ZINC000926330125 1325518278 /nfs/dbraw/zinc/51/82/78/1325518278.db2.gz CWXBKZXIEDFFNO-JAGQDSLRSA-N 2 0 346.515 3.120 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)C1 ZINC000856926358 1325541135 /nfs/dbraw/zinc/54/11/35/1325541135.db2.gz BWFKOWJHHBGWED-HXUWFJFHSA-N 2 0 343.515 3.102 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857120953 1325575494 /nfs/dbraw/zinc/57/54/94/1325575494.db2.gz QIIRYTAIXWTQLZ-UXHICEINSA-N 2 0 343.515 3.100 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027438860 1327678843 /nfs/dbraw/zinc/67/88/43/1327678843.db2.gz VVRGRGDAJFHUQD-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001027451458 1327692508 /nfs/dbraw/zinc/69/25/08/1327692508.db2.gz AKTHYQQWGQUQBW-PMACEKPBSA-N 2 0 345.531 3.004 20 0 EGADRP Cc1ccc(NCC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000927073377 1327842792 /nfs/dbraw/zinc/84/27/92/1327842792.db2.gz KVPBKBXDOSHILT-ICSRJNTNSA-N 2 0 338.499 3.302 20 0 EGADRP Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001027562325 1327882617 /nfs/dbraw/zinc/88/26/17/1327882617.db2.gz MURAMKUOLSYQOG-WOJBJXKFSA-N 2 0 345.531 3.004 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001027562968 1327882735 /nfs/dbraw/zinc/88/27/35/1327882735.db2.gz CBBRJEVKLKDJQB-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC3CC(C)C3)C2)CC1 ZINC001027636933 1328003973 /nfs/dbraw/zinc/00/39/73/1328003973.db2.gz KECYBEWPZZNLEP-AFMYVXGZSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCC2)C1 ZINC001027647251 1328026749 /nfs/dbraw/zinc/02/67/49/1328026749.db2.gz MDRYQMYUWUDIIT-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1 ZINC000927772006 1328134998 /nfs/dbraw/zinc/13/49/98/1328134998.db2.gz NUOVQDUEWJWZAE-UHFFFAOYSA-N 2 0 327.428 3.285 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000928012036 1328171009 /nfs/dbraw/zinc/17/10/09/1328171009.db2.gz PLHLCJTXIZGVHY-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027919608 1328397438 /nfs/dbraw/zinc/39/74/38/1328397438.db2.gz YOLIMBFFBOWCTF-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929846 1328408261 /nfs/dbraw/zinc/40/82/61/1328408261.db2.gz JXEWUBOUCHMETQ-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027971351 1328443345 /nfs/dbraw/zinc/44/33/45/1328443345.db2.gz FGYQBJHCVKQWOW-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000865451256 1329699150 /nfs/dbraw/zinc/69/91/50/1329699150.db2.gz ZZZMOCZKTHAELX-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)C1CCCC1 ZINC000932693577 1329833907 /nfs/dbraw/zinc/83/39/07/1329833907.db2.gz UJTNSABVARILIA-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700796 1329835151 /nfs/dbraw/zinc/83/51/51/1329835151.db2.gz BAPQJFMPGRJLKB-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258545 1331890349 /nfs/dbraw/zinc/89/03/49/1331890349.db2.gz PULGTHJNZAMLAP-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581351 1331988053 /nfs/dbraw/zinc/98/80/53/1331988053.db2.gz FNLKKLLRGLVSAC-RDJZCZTQSA-N 2 0 349.519 3.218 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC000943756179 1332254613 /nfs/dbraw/zinc/25/46/13/1332254613.db2.gz MDHRVBOXVVPMSU-QUCCMNQESA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028268 1332481051 /nfs/dbraw/zinc/48/10/51/1332481051.db2.gz GVWRDZNQIBRZMO-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808128 1332904531 /nfs/dbraw/zinc/90/45/31/1332904531.db2.gz JXJLPLBCSVHXAT-AQNXPRMDSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436439 1333126999 /nfs/dbraw/zinc/12/69/99/1333126999.db2.gz IXBGGTPOKCTKBH-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CCCCC1 ZINC000947498570 1333148133 /nfs/dbraw/zinc/14/81/33/1333148133.db2.gz WBHBBBPZIFXLKJ-MJGOQNOKSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000947614862 1333193283 /nfs/dbraw/zinc/19/32/83/1333193283.db2.gz AZEWFQVELMHATN-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC000947615724 1333194163 /nfs/dbraw/zinc/19/41/63/1333194163.db2.gz KPBSAJOVWJULNH-DLBZAZTESA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CC1CCCC1 ZINC000947653592 1333210091 /nfs/dbraw/zinc/21/00/91/1333210091.db2.gz PSCKDXQWFCDCAF-MAUKXSAKSA-N 2 0 347.503 3.114 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC000947686435 1333223370 /nfs/dbraw/zinc/22/33/70/1333223370.db2.gz YEXPXRJZQYNJNV-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799571 1333265109 /nfs/dbraw/zinc/26/51/09/1333265109.db2.gz BMNCWIRARFHZAL-XLIONFOSSA-N 2 0 345.531 3.377 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000947851800 1333279196 /nfs/dbraw/zinc/27/91/96/1333279196.db2.gz ANDRPKXSDPLLIM-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000948246642 1333440008 /nfs/dbraw/zinc/44/00/08/1333440008.db2.gz ZGRZIKIISJGYHJ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439167 1333525611 /nfs/dbraw/zinc/52/56/11/1333525611.db2.gz IWXGLFYEYOKDEZ-HKUYNNGSSA-N 2 0 335.536 3.115 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948553858 1333572367 /nfs/dbraw/zinc/57/23/67/1333572367.db2.gz NJSKKDBBLHQURG-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948553668 1333572843 /nfs/dbraw/zinc/57/28/43/1333572843.db2.gz JYUSQDKCODDWDI-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000948738414 1333653232 /nfs/dbraw/zinc/65/32/32/1333653232.db2.gz DQOOKYNMKSUAHR-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948775727 1333674211 /nfs/dbraw/zinc/67/42/11/1333674211.db2.gz PMYREOMTDIJCKT-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC000948778694 1333675586 /nfs/dbraw/zinc/67/55/86/1333675586.db2.gz BLXVPPVPNXELPL-ICSRJNTNSA-N 2 0 347.547 3.142 20 0 EGADRP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948887402 1333719712 /nfs/dbraw/zinc/71/97/12/1333719712.db2.gz YSJIJJYFLFPRKC-GOSISDBHSA-N 2 0 346.519 3.236 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000949012044 1333765505 /nfs/dbraw/zinc/76/55/05/1333765505.db2.gz MUQRXCNNOIKVTJ-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](CC2CCCCCC2)C1 ZINC000950727476 1334122895 /nfs/dbraw/zinc/12/28/95/1334122895.db2.gz NXXXWXDRBCOLNX-UHFFFAOYSA-N 2 0 347.547 3.118 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+](CCC2CCCC2)C1 ZINC000950890667 1334147167 /nfs/dbraw/zinc/14/71/67/1334147167.db2.gz QRRLBSLUUZAAAL-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000951200505 1334204451 /nfs/dbraw/zinc/20/44/51/1334204451.db2.gz AFGGCKSUCUSKSB-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000951749675 1334311014 /nfs/dbraw/zinc/31/10/14/1334311014.db2.gz CMXCRTOLUAIGEB-XLIONFOSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC000968738145 1336033197 /nfs/dbraw/zinc/03/31/97/1336033197.db2.gz OJUMBWZVSPZDEE-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888470 1336080263 /nfs/dbraw/zinc/08/02/63/1336080263.db2.gz VQEUVHUKCFPPAR-RBUKOAKNSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCCC2CCC2)CC1 ZINC000969013773 1336118258 /nfs/dbraw/zinc/11/82/58/1336118258.db2.gz GHIAYMOATMJGGE-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCCCCC2)C1 ZINC000969144242 1336160534 /nfs/dbraw/zinc/16/05/34/1336160534.db2.gz HQMHKDNRSZQMIS-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC000969155861 1336164862 /nfs/dbraw/zinc/16/48/62/1336164862.db2.gz DOYKXXRMSNGGDT-GOSISDBHSA-N 2 0 349.494 3.082 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC000969564025 1336224487 /nfs/dbraw/zinc/22/44/87/1336224487.db2.gz KBECNQLRBDCNOF-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969648092 1336233362 /nfs/dbraw/zinc/23/33/62/1336233362.db2.gz IUYJOVFVGDBANY-XLIONFOSSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000970528901 1336318095 /nfs/dbraw/zinc/31/80/95/1336318095.db2.gz JXQGIKYXJQKIMR-APWZRJJASA-N 2 0 349.563 3.122 20 0 EGADRP CC1(C)CCC(C[NH2+][C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC000970792837 1336337965 /nfs/dbraw/zinc/33/79/65/1336337965.db2.gz YYAJSJQRCHYOFW-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005474239 1336357585 /nfs/dbraw/zinc/35/75/85/1336357585.db2.gz AQPMNXVRCVGDHZ-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005935399 1336425834 /nfs/dbraw/zinc/42/58/34/1336425834.db2.gz VQAUIBQCCNTCID-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006002153 1336435946 /nfs/dbraw/zinc/43/59/46/1336435946.db2.gz VLIKZJAMNLCJJB-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](CCC2CC2)CC1 ZINC001006131756 1336456774 /nfs/dbraw/zinc/45/67/74/1336456774.db2.gz LPVCMJNPXNZGHV-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006293613 1336484736 /nfs/dbraw/zinc/48/47/36/1336484736.db2.gz HXMMPSFKGDZBMO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006398819 1336499502 /nfs/dbraw/zinc/49/95/02/1336499502.db2.gz GBLPBOZIVVHAGV-UYAOXDASSA-N 2 0 343.515 3.012 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCC2CC2)CC1 ZINC001006434804 1336505569 /nfs/dbraw/zinc/50/55/69/1336505569.db2.gz MBXBVKYIJMFTGN-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006441250 1336506539 /nfs/dbraw/zinc/50/65/39/1336506539.db2.gz CNKWBUQPGHZTER-ROUUACIJSA-N 2 0 347.547 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007457402 1336650362 /nfs/dbraw/zinc/65/03/62/1336650362.db2.gz MYASZKLLXDJABX-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007497132 1336657722 /nfs/dbraw/zinc/65/77/22/1336657722.db2.gz AVBFNKQXPYKCAB-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007498693 1336658356 /nfs/dbraw/zinc/65/83/56/1336658356.db2.gz LOESSXNLCINIGL-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007501299 1336658877 /nfs/dbraw/zinc/65/88/77/1336658877.db2.gz XKARZDPLYRQTCD-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007723818 1336691265 /nfs/dbraw/zinc/69/12/65/1336691265.db2.gz QYOVRYGAUCYLQT-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007749087 1336694446 /nfs/dbraw/zinc/69/44/46/1336694446.db2.gz UPAOFTMOXIVVLT-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751450 1336694833 /nfs/dbraw/zinc/69/48/33/1336694833.db2.gz ZMPCUMUFVWAHLZ-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCCC2CCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008053096 1336759343 /nfs/dbraw/zinc/75/93/43/1336759343.db2.gz RFNWNJYNUFVFPG-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001008165585 1336783151 /nfs/dbraw/zinc/78/31/51/1336783151.db2.gz XGIJQNYQPDVJJZ-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008299043 1336818011 /nfs/dbraw/zinc/81/80/11/1336818011.db2.gz MDQVYZZVRACFBX-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001008529703 1336876528 /nfs/dbraw/zinc/87/65/28/1336876528.db2.gz GEWAWAVYWWHZOW-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008537491 1336877501 /nfs/dbraw/zinc/87/75/01/1336877501.db2.gz DCMDHLBIBOLZBM-FXAWDEMLSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008747484 1336919572 /nfs/dbraw/zinc/91/95/72/1336919572.db2.gz LIEBBIYXBQAFAX-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001008771713 1336923607 /nfs/dbraw/zinc/92/36/07/1336923607.db2.gz UZOXAWVJQKMMCK-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)C2)cc1 ZINC001008879566 1336936879 /nfs/dbraw/zinc/93/68/79/1336936879.db2.gz DQHWZHQMKMAAAC-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001008946878 1336946288 /nfs/dbraw/zinc/94/62/88/1336946288.db2.gz UIBGRFRQZCKVPO-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001009049236 1336960054 /nfs/dbraw/zinc/96/00/54/1336960054.db2.gz HYQZHRAOWVLBJK-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009052974 1336960641 /nfs/dbraw/zinc/96/06/41/1336960641.db2.gz VXHUBGIEJCKABL-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001009170206 1336980954 /nfs/dbraw/zinc/98/09/54/1336980954.db2.gz RCKWBUMIFSBDMD-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001014447870 1337780405 /nfs/dbraw/zinc/78/04/05/1337780405.db2.gz QXFAGFVWEAHPPT-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014723020 1337884834 /nfs/dbraw/zinc/88/48/34/1337884834.db2.gz NYHAIJCUTZAPIF-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014724942 1337886302 /nfs/dbraw/zinc/88/63/02/1337886302.db2.gz YBQBLXLYMWWKHR-UYAOXDASSA-N 2 0 345.531 3.084 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001014728061 1337888873 /nfs/dbraw/zinc/88/88/73/1337888873.db2.gz KNOYNUOKMXVPRE-HKUYNNGSSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001015035042 1337997345 /nfs/dbraw/zinc/99/73/45/1337997345.db2.gz XZNDTDPNSXHBLL-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015053825 1338003449 /nfs/dbraw/zinc/00/34/49/1338003449.db2.gz STYISNAXEQCSPX-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015791153 1338311067 /nfs/dbraw/zinc/31/10/67/1338311067.db2.gz BHQTYCUPJFQNDY-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015791155 1338311314 /nfs/dbraw/zinc/31/13/14/1338311314.db2.gz BHQTYCUPJFQNDY-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001015791336 1338312056 /nfs/dbraw/zinc/31/20/56/1338312056.db2.gz CSICSTINUJFRRR-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015791178 1338312874 /nfs/dbraw/zinc/31/28/74/1338312874.db2.gz BQGUIWVNCBZAPJ-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)c1 ZINC001016323029 1338549264 /nfs/dbraw/zinc/54/92/64/1338549264.db2.gz MVXLRODEHVEORI-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001016340472 1338556185 /nfs/dbraw/zinc/55/61/85/1338556185.db2.gz WTCCQOOHYRJXIV-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C2)o1 ZINC001016386365 1338584857 /nfs/dbraw/zinc/58/48/57/1338584857.db2.gz ZLWATGFZUYTNPX-INIZCTEOSA-N 2 0 349.519 3.362 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)o1 ZINC001016385833 1338585019 /nfs/dbraw/zinc/58/50/19/1338585019.db2.gz UVEUXJISSMETPP-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2)[NH+]1CCCCC1 ZINC001016622216 1338667689 /nfs/dbraw/zinc/66/76/89/1338667689.db2.gz VKCRAJRMJGPFSZ-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC=C(C)C)CC3)C1 ZINC001016789259 1338728110 /nfs/dbraw/zinc/72/81/10/1338728110.db2.gz IJGYYLUHLCRFPR-MOPGFXCFSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016860993 1338750895 /nfs/dbraw/zinc/75/08/95/1338750895.db2.gz MDYKFMDAURLPCW-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016877168 1338756515 /nfs/dbraw/zinc/75/65/15/1338756515.db2.gz JTZNBVNPFTUFTR-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016906578 1338765224 /nfs/dbraw/zinc/76/52/24/1338765224.db2.gz LTKOWJFKGFNUGI-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@H+](C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1)CC1CCCCCC1 ZINC001017070475 1338847417 /nfs/dbraw/zinc/84/74/17/1338847417.db2.gz FYGGTIXYHLKSEI-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001017142338 1338894093 /nfs/dbraw/zinc/89/40/93/1338894093.db2.gz NEFCNWLMSDIMFG-QGZVFWFLSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001017208391 1338954641 /nfs/dbraw/zinc/95/46/41/1338954641.db2.gz GDEFGAKFDSVQLJ-ICSRJNTNSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001017209583 1338956158 /nfs/dbraw/zinc/95/61/58/1338956158.db2.gz QRLCBBQHCOCWCI-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2C)C1)[NH+](C)C ZINC001017214976 1338957775 /nfs/dbraw/zinc/95/77/75/1338957775.db2.gz ZVMYULBXNUJOQD-ICSRJNTNSA-N 2 0 345.531 3.006 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001017226547 1338966261 /nfs/dbraw/zinc/96/62/61/1338966261.db2.gz LCHVEYJQVAKGBR-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618927 1339377870 /nfs/dbraw/zinc/37/78/70/1339377870.db2.gz VZEFHRGXGCNQRT-FFGOWVMKSA-N 2 0 347.547 3.115 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017735508 1339407216 /nfs/dbraw/zinc/40/72/16/1339407216.db2.gz HNKALHYWPPMIHT-KDURUIRLSA-N 2 0 340.471 3.059 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018313841 1339572799 /nfs/dbraw/zinc/57/27/99/1339572799.db2.gz OJNLRROPONFRET-ZRNYENFQSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001028181046 1340471301 /nfs/dbraw/zinc/47/13/01/1340471301.db2.gz MKRPAVRDFILRII-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001028180526 1340471317 /nfs/dbraw/zinc/47/13/17/1340471317.db2.gz BTSVUCUFUXZAKE-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001028181495 1340471644 /nfs/dbraw/zinc/47/16/44/1340471644.db2.gz UGZSXBUQTWRHJZ-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC=C(C)C)o1 ZINC001028342818 1340582812 /nfs/dbraw/zinc/58/28/12/1340582812.db2.gz HCRVTHGEPWHLBA-KRWDZBQOSA-N 2 0 347.503 3.282 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCC2)o1 ZINC001028344168 1340583944 /nfs/dbraw/zinc/58/39/44/1340583944.db2.gz XBJXTNIBVYOMLZ-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001028754513 1340790231 /nfs/dbraw/zinc/79/02/31/1340790231.db2.gz GFBCMMQUQIZZCR-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCC(C)(C)C)C2)cc1 ZINC001028870460 1340870665 /nfs/dbraw/zinc/87/06/65/1340870665.db2.gz QBTJTNGFNKZQQW-SFHVURJKSA-N 2 0 345.531 3.236 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001028918365 1340883717 /nfs/dbraw/zinc/88/37/17/1340883717.db2.gz GBLUXFNJYJHVQR-RTBURBONSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029114283 1340933287 /nfs/dbraw/zinc/93/32/87/1340933287.db2.gz WXUURFSUTIOZBT-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001029114635 1340933515 /nfs/dbraw/zinc/93/35/15/1340933515.db2.gz DRNWENZMJGDYAG-FXAWDEMLSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001029145950 1340942629 /nfs/dbraw/zinc/94/26/29/1340942629.db2.gz FUEUSSPYHOQEEB-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001029146003 1340942713 /nfs/dbraw/zinc/94/27/13/1340942713.db2.gz GQJULGOQATUDOM-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001029146281 1340942752 /nfs/dbraw/zinc/94/27/52/1340942752.db2.gz IEMJBTCZZVDZJD-QZTJIDSGSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001029165882 1340946551 /nfs/dbraw/zinc/94/65/51/1340946551.db2.gz RHXGFVMWTMXRKG-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001029173681 1340948666 /nfs/dbraw/zinc/94/86/66/1340948666.db2.gz QJAAHNXFGKDKCM-MSOLQXFVSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1C)[NH+](C)C ZINC001029357364 1340976865 /nfs/dbraw/zinc/97/68/65/1340976865.db2.gz GDASYSCWFTZTKA-PNYFIKQUSA-N 2 0 343.515 3.071 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029503350 1341002502 /nfs/dbraw/zinc/00/25/02/1341002502.db2.gz QEMAOPGNWNXTSZ-OTWHNJEPSA-N 2 0 349.563 3.361 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1)CC1CCCCCC1 ZINC001029767946 1341067390 /nfs/dbraw/zinc/06/73/90/1341067390.db2.gz AZHAJBYMYJCPLQ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029969706 1341138666 /nfs/dbraw/zinc/13/86/66/1341138666.db2.gz RIMWDJGYVWZPJN-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001030019326 1341159684 /nfs/dbraw/zinc/15/96/84/1341159684.db2.gz RCAGFRCEUMNUHM-HOJAQTOUSA-N 2 0 345.531 3.223 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001032128378 1341459924 /nfs/dbraw/zinc/45/99/24/1341459924.db2.gz BVZRCORUIWUDRU-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001032129304 1341460218 /nfs/dbraw/zinc/46/02/18/1341460218.db2.gz VBUOUYRRELNTFM-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1)[NH+]1CCCC1 ZINC001032557745 1341539700 /nfs/dbraw/zinc/53/97/00/1341539700.db2.gz QSTINORXLBPSEX-OALUTQOASA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838369 1341631120 /nfs/dbraw/zinc/63/11/20/1341631120.db2.gz NSDYOKFUPZQBKJ-FGTMMUONSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033143898 1341738162 /nfs/dbraw/zinc/73/81/62/1341738162.db2.gz NJDJWTCKGFNEIB-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033147122 1341739311 /nfs/dbraw/zinc/73/93/11/1341739311.db2.gz SVANWFSEPWBZHC-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001033420292 1341821828 /nfs/dbraw/zinc/82/18/28/1341821828.db2.gz NTKNUNKTSYXGJM-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001033467702 1341837729 /nfs/dbraw/zinc/83/77/29/1341837729.db2.gz QNZGQRJKMFYLAZ-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001033549137 1341867221 /nfs/dbraw/zinc/86/72/21/1341867221.db2.gz WOCONHQBSVFWAS-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033826502 1342027374 /nfs/dbraw/zinc/02/73/74/1342027374.db2.gz QKKLNUADLJVHOU-QZTJIDSGSA-N 2 0 337.552 3.218 20 0 EGADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033888742 1342062131 /nfs/dbraw/zinc/06/21/31/1342062131.db2.gz SYPOOSPSUJSLHO-KRWDZBQOSA-N 2 0 342.487 3.307 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012462 1342149230 /nfs/dbraw/zinc/14/92/30/1342149230.db2.gz OZUFVZLIXFEQCM-FXAWDEMLSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203616 1342314306 /nfs/dbraw/zinc/31/43/06/1342314306.db2.gz FXDDPKCZLLYXKF-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034248429 1342346036 /nfs/dbraw/zinc/34/60/36/1342346036.db2.gz CAACQJCWVOKECY-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034250015 1342347032 /nfs/dbraw/zinc/34/70/32/1342347032.db2.gz NYIDZCRAPFCBRQ-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290099 1342376080 /nfs/dbraw/zinc/37/60/80/1342376080.db2.gz FYPHUNHYHGCZHX-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CC3CCC3)C2)cc1 ZINC001034443879 1342504095 /nfs/dbraw/zinc/50/40/95/1342504095.db2.gz ASFKHVJZBIBZPR-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034480044 1342536123 /nfs/dbraw/zinc/53/61/23/1342536123.db2.gz DYHAMGTZTHJUIL-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535216 1342591522 /nfs/dbraw/zinc/59/15/22/1342591522.db2.gz CWKKIZVZXOWYBG-APWZRJJASA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034540646 1342599984 /nfs/dbraw/zinc/59/99/84/1342599984.db2.gz JPTRJOQSFLPVRJ-IBGZPJMESA-N 2 0 343.515 3.299 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ccccc1 ZINC001034648322 1342669064 /nfs/dbraw/zinc/66/90/64/1342669064.db2.gz DKFNOTWPSXEETM-HHUCQEJWSA-N 2 0 343.515 3.105 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001034663211 1342677554 /nfs/dbraw/zinc/67/75/54/1342677554.db2.gz PSMJMLFGZUDLNY-QWFCFKBJSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001034750043 1342737426 /nfs/dbraw/zinc/73/74/26/1342737426.db2.gz SNTRKNVVHBJJKX-IHPCNDPISA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001034775553 1342753283 /nfs/dbraw/zinc/75/32/83/1342753283.db2.gz CNKQUYKTOYDHHG-VAMGGRTRSA-N 2 0 347.547 3.236 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1 ZINC001034828198 1342789446 /nfs/dbraw/zinc/78/94/46/1342789446.db2.gz NNWMVZNTBGXRFK-LJQANCHMSA-N 2 0 331.504 3.067 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034960909 1342853999 /nfs/dbraw/zinc/85/39/99/1342853999.db2.gz FBPQRFUARYHXFY-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001034965108 1342854944 /nfs/dbraw/zinc/85/49/44/1342854944.db2.gz DTKXFCLPOUATHQ-SXLOBPIMSA-N 2 0 345.531 3.223 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001035133687 1342949657 /nfs/dbraw/zinc/94/96/57/1342949657.db2.gz PHWLAXFVHKHMCY-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035133993 1342949830 /nfs/dbraw/zinc/94/98/30/1342949830.db2.gz QHSHNLOYUBTHGM-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198032 1343011858 /nfs/dbraw/zinc/01/18/58/1343011858.db2.gz AKECEMYLERJSPN-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203811 1343015973 /nfs/dbraw/zinc/01/59/73/1343015973.db2.gz PVBMGSXBXYNJEY-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035239695 1343062821 /nfs/dbraw/zinc/06/28/21/1343062821.db2.gz XFOARHGTBXVNSI-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1)[NH+]1CCCCC1 ZINC001035260370 1343086652 /nfs/dbraw/zinc/08/66/52/1343086652.db2.gz UVWFHVKEAZXZHT-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035705227 1343143306 /nfs/dbraw/zinc/14/33/06/1343143306.db2.gz ZJVQAXSBSYUZTJ-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001036181455 1343350641 /nfs/dbraw/zinc/35/06/41/1343350641.db2.gz WUJLAPSSIJUUHE-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001036587690 1343566029 /nfs/dbraw/zinc/56/60/29/1343566029.db2.gz KTPRCNQSBSHRGX-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854592 1343789090 /nfs/dbraw/zinc/78/90/90/1343789090.db2.gz NXMVLGFEDSQCLR-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902516 1343849240 /nfs/dbraw/zinc/84/92/40/1343849240.db2.gz LQPYYWZIZHHPMJ-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001037220445 1344051746 /nfs/dbraw/zinc/05/17/46/1344051746.db2.gz IGCFIZASDVZVRI-AEFFLSMTSA-N 2 0 347.503 3.020 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001037852873 1344139542 /nfs/dbraw/zinc/13/95/42/1344139542.db2.gz SRDRKGZGGHTTLJ-ZBFHGGJFSA-N 2 0 337.533 3.050 20 0 EGADRP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037854917 1344140995 /nfs/dbraw/zinc/14/09/95/1344140995.db2.gz RXNHQMPJBJGGAF-QZTJIDSGSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037855680 1344141701 /nfs/dbraw/zinc/14/17/01/1344141701.db2.gz WSVNVKZDCRCXKF-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1CCCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247120 1344342799 /nfs/dbraw/zinc/34/27/99/1344342799.db2.gz GNKSIFRLRFWVQH-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038321478 1344378616 /nfs/dbraw/zinc/37/86/16/1344378616.db2.gz MSMRJSCEFILXHJ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038448557 1344430431 /nfs/dbraw/zinc/43/04/31/1344430431.db2.gz JAIFFMLXOVEHBW-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038462892 1344434918 /nfs/dbraw/zinc/43/49/18/1344434918.db2.gz POUOFJYZYJSCOL-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038620249 1344508064 /nfs/dbraw/zinc/50/80/64/1344508064.db2.gz BOPOKDAYHDBVRB-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038622008 1344509388 /nfs/dbraw/zinc/50/93/88/1344509388.db2.gz LQKPIPBEBYTSIN-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038625928 1344510459 /nfs/dbraw/zinc/51/04/59/1344510459.db2.gz SVSNDDSGHKQIBR-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCC2)c1 ZINC001039040310 1344728238 /nfs/dbraw/zinc/72/82/38/1344728238.db2.gz QTBKMFCGXXPYLI-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205096 1344916046 /nfs/dbraw/zinc/91/60/46/1344916046.db2.gz KHMBJYTYVOJOHA-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039215911 1344932457 /nfs/dbraw/zinc/93/24/57/1344932457.db2.gz WWNILXOCJAFJPZ-QUCCMNQESA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228904 1344948930 /nfs/dbraw/zinc/94/89/30/1344948930.db2.gz KZLMOYGUZWLRKX-VQIMIIECSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233338 1344953649 /nfs/dbraw/zinc/95/36/49/1344953649.db2.gz AYUPKKXGGNCOFE-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241853 1344967872 /nfs/dbraw/zinc/96/78/72/1344967872.db2.gz JMFNEQFOMBMLSR-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001039249485 1344979413 /nfs/dbraw/zinc/97/94/13/1344979413.db2.gz AZOVWMVPZFTIEC-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039290132 1344998942 /nfs/dbraw/zinc/99/89/42/1344998942.db2.gz SDQDJWLIUJPDSD-AYHJJNSGSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039448159 1345073073 /nfs/dbraw/zinc/07/30/73/1345073073.db2.gz YQEULOFRLLMKNB-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040261783 1345400808 /nfs/dbraw/zinc/40/08/08/1345400808.db2.gz AJQCNROVGQCOMY-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040264112 1345402571 /nfs/dbraw/zinc/40/25/71/1345402571.db2.gz LSFQPYDBPLPIMO-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275162 1345407337 /nfs/dbraw/zinc/40/73/37/1345407337.db2.gz JADCASWQXQFYJC-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040390578 1345472614 /nfs/dbraw/zinc/47/26/14/1345472614.db2.gz KKNLZHQNCGAKLI-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001040761624 1345576047 /nfs/dbraw/zinc/57/60/47/1345576047.db2.gz ZGUZFFBCDIPSGV-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001040901550 1345596614 /nfs/dbraw/zinc/59/66/14/1345596614.db2.gz MYAFHXDXPYTSSV-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCCCC3)C2)C1)[NH+](C)C ZINC001041692804 1345821388 /nfs/dbraw/zinc/82/13/88/1345821388.db2.gz OFADFPMZSSJNNY-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC(CC)CC)C1 ZINC001044170977 1346265244 /nfs/dbraw/zinc/26/52/44/1346265244.db2.gz ZXXWRDMJWXDZCT-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044629696 1346387420 /nfs/dbraw/zinc/38/74/20/1346387420.db2.gz OSOMAEOJEGTBLN-AEFFLSMTSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001044659641 1346395429 /nfs/dbraw/zinc/39/54/29/1346395429.db2.gz PWYRPFXDXLKCEP-QFBILLFUSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001044680783 1346402078 /nfs/dbraw/zinc/40/20/78/1346402078.db2.gz HQMVQJFMKOITOE-CRAIPNDOSA-N 2 0 340.471 3.107 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC(C)C)C[C@@H]2C)o1 ZINC001044878250 1346452970 /nfs/dbraw/zinc/45/29/70/1346452970.db2.gz LGETXNPQQLICOP-DLBZAZTESA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045067828 1346489436 /nfs/dbraw/zinc/48/94/36/1346489436.db2.gz AHFSNRYHOLHBJB-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001045205055 1346529594 /nfs/dbraw/zinc/52/95/94/1346529594.db2.gz BWPUOKWBGFIUIY-PMACEKPBSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC001045310686 1346556008 /nfs/dbraw/zinc/55/60/08/1346556008.db2.gz QRVFDVCWDGOXPG-YJBOKZPZSA-N 2 0 349.906 3.077 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045321206 1346559565 /nfs/dbraw/zinc/55/95/65/1346559565.db2.gz GLTJNHGLUFHQQS-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045323148 1346560149 /nfs/dbraw/zinc/56/01/49/1346560149.db2.gz UKAGTHQFZQJQEG-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001045437814 1346593756 /nfs/dbraw/zinc/59/37/56/1346593756.db2.gz FCZVKVWXUVHRPV-LJQANCHMSA-N 2 0 347.547 3.330 20 0 EGADRP CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC[NH+](CC2CCCC2)CC1 ZINC001045475669 1346603040 /nfs/dbraw/zinc/60/30/40/1346603040.db2.gz OFMNHPUBDGWNQQ-RBUKOAKNSA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001045531475 1346619471 /nfs/dbraw/zinc/61/94/71/1346619471.db2.gz JUDSUPLYRWCYOX-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001045833067 1346713789 /nfs/dbraw/zinc/71/37/89/1346713789.db2.gz PECBLSNGECBJJB-ZCNNSNEGSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001045891836 1346735150 /nfs/dbraw/zinc/73/51/50/1346735150.db2.gz GHJREAOAELPGMF-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045942055 1346777889 /nfs/dbraw/zinc/77/78/89/1346777889.db2.gz QQEDSLCNGBGSDU-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001045947646 1346783288 /nfs/dbraw/zinc/78/32/88/1346783288.db2.gz HHSIEUMXCJDAKK-NRFANRHFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976446 1346813396 /nfs/dbraw/zinc/81/33/96/1346813396.db2.gz ZOQSVLCOVHTJDT-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+](CCC2CCCC2)C1 ZINC001046450082 1346978033 /nfs/dbraw/zinc/97/80/33/1346978033.db2.gz OXRQDKZFRGMLBX-FQEVSTJZSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047244090 1347270134 /nfs/dbraw/zinc/27/01/34/1347270134.db2.gz PLSNZCKFSVPRJW-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047926385 1347411972 /nfs/dbraw/zinc/41/19/72/1347411972.db2.gz ZWYBZBLARICHRB-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047989545 1347435631 /nfs/dbraw/zinc/43/56/31/1347435631.db2.gz RRINBOIZSQFLST-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048480623 1347562351 /nfs/dbraw/zinc/56/23/51/1347562351.db2.gz VAPBMERMLJYHGZ-QUCCMNQESA-N 2 0 347.547 3.047 20 0 EGADRP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560801 1347593760 /nfs/dbraw/zinc/59/37/60/1347593760.db2.gz SSLJVNCOCKORLC-FNLKRUPLSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049524965 1347892429 /nfs/dbraw/zinc/89/24/29/1347892429.db2.gz OTKPUXNDGDRYQG-XUVXKRRUSA-N 2 0 347.547 3.259 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049564701 1347912467 /nfs/dbraw/zinc/91/24/67/1347912467.db2.gz PLFFLNHNWBDEST-RBUKOAKNSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049566193 1347913603 /nfs/dbraw/zinc/91/36/03/1347913603.db2.gz HGNRREUZFUJPGV-ZCNNSNEGSA-N 2 0 347.547 3.138 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001049764528 1348008989 /nfs/dbraw/zinc/00/89/89/1348008989.db2.gz DFUVHMFUJVNMDX-MISYRCLQSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764644 1348009167 /nfs/dbraw/zinc/00/91/67/1348009167.db2.gz DVMPEZHVMBOZSD-CEXWTWQISA-N 2 0 335.536 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914012 1348109033 /nfs/dbraw/zinc/10/90/33/1348109033.db2.gz LHGNLCCGWVEYHW-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915615 1348109955 /nfs/dbraw/zinc/10/99/55/1348109955.db2.gz XLTZCJYWGXAKME-AQNXPRMDSA-N 2 0 347.547 3.138 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049922140 1348114003 /nfs/dbraw/zinc/11/40/03/1348114003.db2.gz YEIICCXGGUOYJS-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049922519 1348114719 /nfs/dbraw/zinc/11/47/19/1348114719.db2.gz ZLNVPIPEEWFSMU-VQTJNVASSA-N 2 0 343.515 3.083 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001050173180 1348202445 /nfs/dbraw/zinc/20/24/45/1348202445.db2.gz WQNVMYKVSLUZLD-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001050389967 1348247761 /nfs/dbraw/zinc/24/77/61/1348247761.db2.gz JAYGRHVBDVRTJZ-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001079848693 1357400676 /nfs/dbraw/zinc/40/06/76/1357400676.db2.gz HFHWHXQEDMHWNS-NZSAHSFTSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001050717368 1348335779 /nfs/dbraw/zinc/33/57/79/1348335779.db2.gz BZRVEUOGYAEXSO-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050764409 1348351664 /nfs/dbraw/zinc/35/16/64/1348351664.db2.gz CGRLTQUTZZJCCB-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001051356355 1348442334 /nfs/dbraw/zinc/44/23/34/1348442334.db2.gz UNSORJKPSMGSDP-RLLQIKCJSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052369445 1348534136 /nfs/dbraw/zinc/53/41/36/1348534136.db2.gz RCTAUJUXVLELEG-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381386 1348536965 /nfs/dbraw/zinc/53/69/65/1348536965.db2.gz PRYDSNMRCXUQGJ-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001052394244 1348538883 /nfs/dbraw/zinc/53/88/83/1348538883.db2.gz CGXDKZIZVAIXGH-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001052619028 1348598127 /nfs/dbraw/zinc/59/81/27/1348598127.db2.gz BVUPYVDNFARJMK-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCC3)CC2)C1 ZINC001052651350 1348613743 /nfs/dbraw/zinc/61/37/43/1348613743.db2.gz GNOONDWCJKVGBG-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001052680586 1348628145 /nfs/dbraw/zinc/62/81/45/1348628145.db2.gz PHMDEUMTWBMRGN-AFMYVXGZSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052712950 1348645034 /nfs/dbraw/zinc/64/50/34/1348645034.db2.gz QGOXRMHUCGREDU-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052715584 1348646014 /nfs/dbraw/zinc/64/60/14/1348646014.db2.gz GASDQNNDUBNVDO-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857669 1348704465 /nfs/dbraw/zinc/70/44/65/1348704465.db2.gz REHHDKZWOLMUQU-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052989938 1348790291 /nfs/dbraw/zinc/79/02/91/1348790291.db2.gz DYASPTBXEBVZSB-XOISHUCVSA-N 2 0 347.547 3.138 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054183035 1349186052 /nfs/dbraw/zinc/18/60/52/1349186052.db2.gz WRBUVJDONCUWIC-PZJWPPBQSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001054191053 1349193551 /nfs/dbraw/zinc/19/35/51/1349193551.db2.gz YEDFSJLQZRTZHZ-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1)[NH+](C)C ZINC001054199218 1349201047 /nfs/dbraw/zinc/20/10/47/1349201047.db2.gz QEGVNXCLEDXCHP-PXNSSMCTSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)cc2C1 ZINC001054268703 1349266460 /nfs/dbraw/zinc/26/64/60/1349266460.db2.gz UQAHDMXBLLSTNP-LJQANCHMSA-N 2 0 343.515 3.006 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)cc2C1 ZINC001054269626 1349269281 /nfs/dbraw/zinc/26/92/81/1349269281.db2.gz IFZWHHDXZOQIJO-PMACEKPBSA-N 2 0 341.499 3.044 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001054296783 1349301745 /nfs/dbraw/zinc/30/17/45/1349301745.db2.gz KXAYGRSYIDVWTH-IIDMSEBBSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001054854453 1349489001 /nfs/dbraw/zinc/48/90/01/1349489001.db2.gz ULZIPQAYSDTGKA-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001183129768 1387267296 /nfs/dbraw/zinc/26/72/96/1387267296.db2.gz YHOXILLYVGDDHS-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001071627414 1354811013 /nfs/dbraw/zinc/81/10/13/1354811013.db2.gz FJSZXWJAWWLYOI-YOEHRIQHSA-N 2 0 340.471 3.026 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001071627990 1354811570 /nfs/dbraw/zinc/81/15/70/1354811570.db2.gz MTDGQTLAEBOFIT-WBVHZDCISA-N 2 0 342.487 3.272 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071645581 1354824154 /nfs/dbraw/zinc/82/41/54/1354824154.db2.gz KZTRZXAPKOVNHA-SJLPKXTDSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071651020 1354826711 /nfs/dbraw/zinc/82/67/11/1354826711.db2.gz FUEOCDHIGVGSOY-CRAIPNDOSA-N 2 0 342.487 3.353 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071829003 1354965561 /nfs/dbraw/zinc/96/55/61/1354965561.db2.gz YNAABDVKWLQEMI-FXAWDEMLSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CCC1CCCCC1 ZINC001071996838 1355065760 /nfs/dbraw/zinc/06/57/60/1355065760.db2.gz VMKGPACHWPOVEX-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1CC1CCC1 ZINC001072095409 1355126541 /nfs/dbraw/zinc/12/65/41/1355126541.db2.gz HUUGXXQMUNJZFD-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001072334514 1355243975 /nfs/dbraw/zinc/24/39/75/1355243975.db2.gz CKLSYNYXWYDIJZ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001074649046 1356220908 /nfs/dbraw/zinc/22/09/08/1356220908.db2.gz NTZXSXPUGDQXRV-YTQUADARSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)c1cccc(Cl)c1 ZINC001075111010 1356310412 /nfs/dbraw/zinc/31/04/12/1356310412.db2.gz ZRRGFNSHCQLOKZ-VKJFTORMSA-N 2 0 349.906 3.076 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256439 1387286323 /nfs/dbraw/zinc/28/63/23/1387286323.db2.gz WSLIIIDJKIVMLJ-HSJMLMCGSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126459 1363639040 /nfs/dbraw/zinc/63/90/40/1363639040.db2.gz SJWWUYFHWVFFSB-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001080998535 1357777570 /nfs/dbraw/zinc/77/75/70/1357777570.db2.gz BWWIODSJOLOAQB-OXQOHEQNSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001183432356 1387308189 /nfs/dbraw/zinc/30/81/89/1387308189.db2.gz CANWEBAMNTZRMW-WIYYLYMNSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001082589404 1358063538 /nfs/dbraw/zinc/06/35/38/1358063538.db2.gz ZVCVOUOETCSXSC-NSISKUIASA-N 2 0 345.531 3.087 20 0 EGADRP C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C)c1ccccc1 ZINC001082619931 1358066034 /nfs/dbraw/zinc/06/60/34/1358066034.db2.gz JUDDWBXQUAGQFQ-GQIGUUNPSA-N 2 0 348.450 3.146 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082612607 1358066078 /nfs/dbraw/zinc/06/60/78/1358066078.db2.gz WOIVNXAFHKMXOW-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001082782385 1358092406 /nfs/dbraw/zinc/09/24/06/1358092406.db2.gz UTPHILXRXSPGIU-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001183510304 1387315088 /nfs/dbraw/zinc/31/50/88/1387315088.db2.gz UPQUHXLWCMQNHO-UYAOXDASSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCCC3CCCC3)C[C@H]21)[NH+](C)C ZINC001084429211 1358211490 /nfs/dbraw/zinc/21/14/90/1358211490.db2.gz SLMXKHHQEPETFM-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084953515 1358354314 /nfs/dbraw/zinc/35/43/14/1358354314.db2.gz RCQCSLRHNLWLEQ-QYZOEREBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049720 1358378697 /nfs/dbraw/zinc/37/86/97/1358378697.db2.gz UNKGZGZQJWTWQV-ZCNNSNEGSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101615 1358391691 /nfs/dbraw/zinc/39/16/91/1358391691.db2.gz VAVSBRYWOWZJOU-AABGKKOBSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001085152530 1358413693 /nfs/dbraw/zinc/41/36/93/1358413693.db2.gz HXXKYAARTQRQGS-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085245920 1358443202 /nfs/dbraw/zinc/44/32/02/1358443202.db2.gz UGRGYNFLLPNBBT-QRVBRYPASA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085639839 1358654259 /nfs/dbraw/zinc/65/42/59/1358654259.db2.gz XDGULNHCPRYXAL-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085687681 1358688564 /nfs/dbraw/zinc/68/85/64/1358688564.db2.gz SUWBXQVBUBMRSI-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2=CCCCC2)C1 ZINC001085778805 1358753498 /nfs/dbraw/zinc/75/34/98/1358753498.db2.gz HYUWYVGOENFONL-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183870027 1387363802 /nfs/dbraw/zinc/36/38/02/1387363802.db2.gz YIUPZZWRITZHQD-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085987738 1358939578 /nfs/dbraw/zinc/93/95/78/1358939578.db2.gz KQAIITWYUSVCMG-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994121 1358948218 /nfs/dbraw/zinc/94/82/18/1358948218.db2.gz CGIFYROLIFHXTP-MRXNPFEDSA-N 2 0 335.492 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086085076 1358992248 /nfs/dbraw/zinc/99/22/48/1358992248.db2.gz RCIJUCAMSHNHIU-HSALFYBXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086105503 1358998794 /nfs/dbraw/zinc/99/87/94/1358998794.db2.gz PULQLBPZHBRGRR-SLFFLAALSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086105391 1358998815 /nfs/dbraw/zinc/99/88/15/1358998815.db2.gz LSRJNHBMKDEUSA-SLFFLAALSA-N 2 0 349.563 3.029 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001086222099 1359032102 /nfs/dbraw/zinc/03/21/02/1359032102.db2.gz ZSUJKPIZVFKBMQ-IYWMVGAKSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001086243635 1359040086 /nfs/dbraw/zinc/04/00/86/1359040086.db2.gz USWBBBGUJVBBMB-PUZFROQSSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086253892 1359043247 /nfs/dbraw/zinc/04/32/47/1359043247.db2.gz ZTEZMZGAKDMCFO-GDAAHCPNSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001086700355 1359187876 /nfs/dbraw/zinc/18/78/76/1359187876.db2.gz MPCCBATVJQQBBV-GSEOLPGOSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938440 1359261273 /nfs/dbraw/zinc/26/12/73/1359261273.db2.gz QCBSYJZDKUFLQH-MOPGFXCFSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942548 1359264016 /nfs/dbraw/zinc/26/40/16/1359264016.db2.gz VDQKHOBNIIEJNR-MOPGFXCFSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087176692 1359313637 /nfs/dbraw/zinc/31/36/37/1359313637.db2.gz LCESLOZBPVMULP-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318445 1359409583 /nfs/dbraw/zinc/40/95/83/1359409583.db2.gz XVFHNZDUDPIAAX-QRQLOZEOSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001087602560 1359550923 /nfs/dbraw/zinc/55/09/23/1359550923.db2.gz UPFMBPHAVXIARV-XUVXKRRUSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327336 1359831326 /nfs/dbraw/zinc/83/13/26/1359831326.db2.gz LCXFVYZSNFJWAD-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088382018 1359864999 /nfs/dbraw/zinc/86/49/99/1359864999.db2.gz RYEZDECRYFIZPC-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001088410746 1359882282 /nfs/dbraw/zinc/88/22/82/1359882282.db2.gz PPFCALIBTSAQPX-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088414174 1359884995 /nfs/dbraw/zinc/88/49/95/1359884995.db2.gz YYTMSXAZLNTIBK-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001088424806 1359893827 /nfs/dbraw/zinc/89/38/27/1359893827.db2.gz GKQWQDWIRUNCIO-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C[C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC001323709211 1387427241 /nfs/dbraw/zinc/42/72/41/1387427241.db2.gz QVBNIIVPWAFDOX-SFHVURJKSA-N 2 0 341.499 3.441 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088621359 1359993750 /nfs/dbraw/zinc/99/37/50/1359993750.db2.gz ASSFYSWDNNJWLL-HOJAQTOUSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088693394 1360014666 /nfs/dbraw/zinc/01/46/66/1360014666.db2.gz XWEFKMWGFDEVKS-HOJAQTOUSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1C ZINC001088898842 1360098807 /nfs/dbraw/zinc/09/88/07/1360098807.db2.gz YKJWVVRBTYUDPG-NJAFHUGGSA-N 2 0 349.544 3.090 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088898878 1360098900 /nfs/dbraw/zinc/09/89/00/1360098900.db2.gz ZQQIZBXAZCWFGS-YZGWKJHDSA-N 2 0 349.563 3.409 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334878 1360347915 /nfs/dbraw/zinc/34/79/15/1360347915.db2.gz KYICBGBLSKWIGN-ROUUACIJSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089381791 1360383768 /nfs/dbraw/zinc/38/37/68/1360383768.db2.gz NYPKTCYFLQCOFQ-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406693 1360404840 /nfs/dbraw/zinc/40/48/40/1360404840.db2.gz QRJWLRHWJCXKHR-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407081 1360405750 /nfs/dbraw/zinc/40/57/50/1360405750.db2.gz VUDPTZUVYYMBNT-HKUYNNGSSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477041 1360459491 /nfs/dbraw/zinc/45/94/91/1360459491.db2.gz KFCQHSABBNLOKC-FHWLQOOXSA-N 2 0 349.563 3.290 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089488219 1360467923 /nfs/dbraw/zinc/46/79/23/1360467923.db2.gz SNRJSPMCRPQIPC-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509041 1360480968 /nfs/dbraw/zinc/48/09/68/1360480968.db2.gz DELLLDRFQICXKP-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089537497 1360496014 /nfs/dbraw/zinc/49/60/14/1360496014.db2.gz NSURKRFYQLBMOG-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC(C)(C)C1 ZINC001089549205 1360503028 /nfs/dbraw/zinc/50/30/28/1360503028.db2.gz VHMFIGWJVGZMSZ-NQIIRXRSSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559892 1360507304 /nfs/dbraw/zinc/50/73/04/1360507304.db2.gz SVPGWRFSDNNEFD-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564861 1360511319 /nfs/dbraw/zinc/51/13/19/1360511319.db2.gz KFVLLZWQRUZQRU-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001089616658 1360537096 /nfs/dbraw/zinc/53/70/96/1360537096.db2.gz MVYMPRSRFMMHQD-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639273 1360553034 /nfs/dbraw/zinc/55/30/34/1360553034.db2.gz RZQLOXZIEAJQRQ-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001089727242 1360630739 /nfs/dbraw/zinc/63/07/39/1360630739.db2.gz WSGUPYLYGAUWEA-NQIIRXRSSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NCC1CC([NH2+]CC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001091145096 1360997971 /nfs/dbraw/zinc/99/79/71/1360997971.db2.gz XTKVCLJRFMMWGP-UHFFFAOYSA-N 2 0 340.471 3.013 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672141 1361176712 /nfs/dbraw/zinc/17/67/12/1361176712.db2.gz ILLBRAVCAOVJHG-UEXGIBASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754146 1361212425 /nfs/dbraw/zinc/21/24/25/1361212425.db2.gz GEJWTIQRAVHMDT-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184655224 1387504989 /nfs/dbraw/zinc/50/49/89/1387504989.db2.gz YIGLKBIQLGVHFF-RTBURBONSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184655219 1387505162 /nfs/dbraw/zinc/50/51/62/1387505162.db2.gz YIGLKBIQLGVHFF-OALUTQOASA-N 2 0 349.563 3.127 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1N(C)C ZINC001323990372 1387505506 /nfs/dbraw/zinc/50/55/06/1387505506.db2.gz IAPUMJVPWMNXOI-IPELMVKDSA-N 2 0 331.504 3.429 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092735751 1361449805 /nfs/dbraw/zinc/44/98/05/1361449805.db2.gz FMDDMNQMWGETDC-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184711943 1387516937 /nfs/dbraw/zinc/51/69/37/1387516937.db2.gz IEUCNTGHDHMRHV-XRZRDHLVSA-N 2 0 337.552 3.147 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056646 1361517155 /nfs/dbraw/zinc/51/71/55/1361517155.db2.gz JEQBLIRZESUBTN-MBOZVWFJSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001093865493 1361708337 /nfs/dbraw/zinc/70/83/37/1361708337.db2.gz KVDFLADLQHORFL-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094414125 1361791293 /nfs/dbraw/zinc/79/12/93/1361791293.db2.gz UJVYYUZXHSKFCC-SFHLNBCPSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456629 1361808138 /nfs/dbraw/zinc/80/81/38/1361808138.db2.gz KHHTTXKAQVQGCJ-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(C)C)CC3)C1 ZINC001094493898 1361829800 /nfs/dbraw/zinc/82/98/00/1361829800.db2.gz VJVVFIBUSQBARQ-SFHLNBCPSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001094529406 1361845646 /nfs/dbraw/zinc/84/56/46/1361845646.db2.gz ROXYEKDSFKOGSQ-QKNQBKEWSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)[C@H](C)C2)c(C)n1 ZINC001184852846 1387549441 /nfs/dbraw/zinc/54/94/41/1387549441.db2.gz XFPVSYVVSJZBNX-DNVCBOLYSA-N 2 0 343.515 3.495 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184891868 1387556885 /nfs/dbraw/zinc/55/68/85/1387556885.db2.gz KEXLCZMXWHWQGH-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)CC[N@@H+]1C ZINC001095921420 1362289333 /nfs/dbraw/zinc/28/93/33/1362289333.db2.gz TWFQPSJGGVFQGW-UVBQOVKKSA-N 2 0 347.547 3.019 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001096608104 1362594985 /nfs/dbraw/zinc/59/49/85/1362594985.db2.gz QIGCYZZDXIYFSG-FUMNGEBKSA-N 2 0 345.531 3.083 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC001324354746 1387607833 /nfs/dbraw/zinc/60/78/33/1387607833.db2.gz BMIOSOXOQBMHNF-SOAGJPPSSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)[NH+]1CCCC1 ZINC001097639072 1363086001 /nfs/dbraw/zinc/08/60/01/1363086001.db2.gz OTOBPOXGNYVIJJ-QRVBRYPASA-N 2 0 345.531 3.083 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001097852508 1363142180 /nfs/dbraw/zinc/14/21/80/1363142180.db2.gz BSUMVEXILYDOES-NBYUQASBSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001097853977 1363142195 /nfs/dbraw/zinc/14/21/95/1363142195.db2.gz RPAOTMFVHPQKEL-AFYVEPGGSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097976144 1363186223 /nfs/dbraw/zinc/18/62/23/1363186223.db2.gz WEGOPYAWIJWVHY-YRXWBPOGSA-N 2 0 335.536 3.017 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC1 ZINC001097975762 1363186283 /nfs/dbraw/zinc/18/62/83/1363186283.db2.gz CFZZDNYRIDTISX-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[C@H]([NH2+]CC)C2CCCC2)C1 ZINC001098822203 1363482698 /nfs/dbraw/zinc/48/26/98/1363482698.db2.gz XFFFNDYSGWQIEW-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1)C1CCCC1 ZINC001098822273 1363482780 /nfs/dbraw/zinc/48/27/80/1363482780.db2.gz YEYFTHMUKAKTNM-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098822023 1363482858 /nfs/dbraw/zinc/48/28/58/1363482858.db2.gz VUTXNWVEGJSLCH-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168603 1387631801 /nfs/dbraw/zinc/63/18/01/1387631801.db2.gz HTOZSXCJPDJZNH-ROUUACIJSA-N 2 0 339.568 3.085 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C(C)C)C3)o1 ZINC001099179007 1363675969 /nfs/dbraw/zinc/67/59/69/1363675969.db2.gz VSOPVSIGWNPJMG-JXFKEZNVSA-N 2 0 347.503 3.114 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC(C)(C)C ZINC001099214237 1363695069 /nfs/dbraw/zinc/69/50/69/1363695069.db2.gz ISNBBOUUYRTOQC-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225289 1363700795 /nfs/dbraw/zinc/70/07/95/1363700795.db2.gz RHZVOZIMLRLSMB-ZWKOTPCHSA-N 2 0 337.552 3.146 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099241376 1363710126 /nfs/dbraw/zinc/71/01/26/1363710126.db2.gz ZLXRZBOJNWPNOR-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099241373 1363710193 /nfs/dbraw/zinc/71/01/93/1363710193.db2.gz ZLXRZBOJNWPNOR-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001099251382 1363713501 /nfs/dbraw/zinc/71/35/01/1363713501.db2.gz JFZAKMHRBKGZGD-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC ZINC001099269583 1363724836 /nfs/dbraw/zinc/72/48/36/1363724836.db2.gz AVHSBBOCBCGYKW-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)CC1 ZINC001099280780 1363729165 /nfs/dbraw/zinc/72/91/65/1363729165.db2.gz LCAVUDMMRYZNQL-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001099319877 1363747480 /nfs/dbraw/zinc/74/74/80/1363747480.db2.gz DTCGBLJKMWJRST-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339997 1363760037 /nfs/dbraw/zinc/76/00/37/1363760037.db2.gz NHTFNFRFPGMOPA-RURPWVQCSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099353456 1363767696 /nfs/dbraw/zinc/76/76/96/1363767696.db2.gz BHENIZSLLQGLPB-KRWDZBQOSA-N 2 0 343.531 3.073 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001100374582 1364095852 /nfs/dbraw/zinc/09/58/52/1364095852.db2.gz SFJQBHPHUDSXMV-UHFFFAOYSA-N 2 0 337.533 3.098 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405756 1364104229 /nfs/dbraw/zinc/10/42/29/1364104229.db2.gz LOVLKCWORZFUIA-TVPLGVNVSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001100460019 1364122381 /nfs/dbraw/zinc/12/23/81/1364122381.db2.gz LLBIJLFXRXWVOZ-AOCRQIFASA-N 2 0 345.531 3.271 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535046 1364150475 /nfs/dbraw/zinc/15/04/75/1364150475.db2.gz KJXOLKOVTIUEIL-MBQYDTKNSA-N 2 0 347.547 3.092 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001100678575 1364214604 /nfs/dbraw/zinc/21/46/04/1364214604.db2.gz PIWPTPRRPFXOQK-IVMQYODDSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001100730968 1364238971 /nfs/dbraw/zinc/23/89/71/1364238971.db2.gz VWHWAVAHPQWFTG-QHGAOEGBSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100765096 1364251648 /nfs/dbraw/zinc/25/16/48/1364251648.db2.gz SRGVPWLUNQBYPC-UHFFFAOYSA-N 2 0 339.568 3.419 20 0 EGADRP CCCC[NH2+]C1CC(CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001100858264 1364295618 /nfs/dbraw/zinc/29/56/18/1364295618.db2.gz MYZPSZMGTMMFOO-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001100900158 1364321817 /nfs/dbraw/zinc/32/18/17/1364321817.db2.gz SWQRDNJOINZXCD-ZJRDLVKKSA-N 2 0 345.531 3.272 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001101026640 1364381197 /nfs/dbraw/zinc/38/11/97/1364381197.db2.gz SLPXPOPBADYGSB-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036002 1364383220 /nfs/dbraw/zinc/38/32/20/1364383220.db2.gz GQPNDOIFVGBLEX-MEDWBQCRSA-N 2 0 349.563 3.338 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037409 1364384010 /nfs/dbraw/zinc/38/40/10/1364384010.db2.gz LPIADDNHFMMMCL-CTWPCTMYSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001101037336 1364384086 /nfs/dbraw/zinc/38/40/86/1364384086.db2.gz ISHFERCFYUMXCD-VIQWUECVSA-N 2 0 345.531 3.189 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101066923 1364398106 /nfs/dbraw/zinc/39/81/06/1364398106.db2.gz SEPJIWMJZPKJPM-ONEGZZNKSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@H](C(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1)[NH+](C)C ZINC001101550568 1364613492 /nfs/dbraw/zinc/61/34/92/1364613492.db2.gz OSRLTOOKYQBKRF-GOSISDBHSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001101557172 1364618126 /nfs/dbraw/zinc/61/81/26/1364618126.db2.gz YKXOWYBEMUODFN-UHFFFAOYSA-N 2 0 342.487 3.212 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC(C(C)(C)C[NH2+]CC2=CCCCC2)CC1 ZINC001101569509 1364624491 /nfs/dbraw/zinc/62/44/91/1364624491.db2.gz CYONCZXWAPYYFC-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001102101275 1364855930 /nfs/dbraw/zinc/85/59/30/1364855930.db2.gz VXOZRXTYNXBRCL-ZIFCJYIRSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294063 1364988292 /nfs/dbraw/zinc/98/82/92/1364988292.db2.gz GIEBFKUJCZXENT-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427505 1365049552 /nfs/dbraw/zinc/04/95/52/1365049552.db2.gz XUWPFPUCQMPNJY-JCHUFIKGSA-N 2 0 349.563 3.290 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102428900 1365050046 /nfs/dbraw/zinc/05/00/46/1365050046.db2.gz YJNWTBHJAKODLN-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102497433 1365086505 /nfs/dbraw/zinc/08/65/05/1365086505.db2.gz SMSKOYMEMJUEQL-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185448657 1387719433 /nfs/dbraw/zinc/71/94/33/1387719433.db2.gz ZBBVMPUGSUZYBQ-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977218 1365324361 /nfs/dbraw/zinc/32/43/61/1365324361.db2.gz RCBFISHVFKZJTK-PFRNKHFKSA-N 2 0 349.563 3.290 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103158064 1365413995 /nfs/dbraw/zinc/41/39/95/1365413995.db2.gz QQSXYQFBBQJSFL-SJLPKXTDSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380301 1365526269 /nfs/dbraw/zinc/52/62/69/1365526269.db2.gz OMFMDDRVRYTDCG-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655168 1365705721 /nfs/dbraw/zinc/70/57/21/1365705721.db2.gz SPVSMEYDCDUWKD-PWBPZBFBSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103664436 1365712651 /nfs/dbraw/zinc/71/26/51/1365712651.db2.gz BQWVKAPCXGPWLG-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104264490 1365971814 /nfs/dbraw/zinc/97/18/14/1365971814.db2.gz OVLOFEVGTXLRNB-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185709078 1387783502 /nfs/dbraw/zinc/78/35/02/1387783502.db2.gz DSTNLFDZOYOALA-PMACEKPBSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595394 1366094405 /nfs/dbraw/zinc/09/44/05/1366094405.db2.gz RMCQFHGBPCIQNV-JNVNVXKGSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104595785 1366094445 /nfs/dbraw/zinc/09/44/45/1366094445.db2.gz ZINBOSALPIDNIV-BRWVUGGUSA-N 2 0 349.519 3.075 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001104641372 1366115455 /nfs/dbraw/zinc/11/54/55/1366115455.db2.gz OGJJSKPNIKALHY-MISYRCLQSA-N 2 0 349.563 3.147 20 0 EGADRP CSCC1CCC([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001324847170 1387791514 /nfs/dbraw/zinc/79/15/14/1387791514.db2.gz BZLIXWKLSUAINM-UHFFFAOYSA-N 2 0 347.572 3.450 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)CC(C)C)C1 ZINC001104809346 1366183619 /nfs/dbraw/zinc/18/36/19/1366183619.db2.gz FUJRXQUSOGVZDG-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001105539798 1366518759 /nfs/dbraw/zinc/51/87/59/1366518759.db2.gz PWKPCJCVWSLBBR-OTWHNJEPSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105574581 1366539687 /nfs/dbraw/zinc/53/96/87/1366539687.db2.gz BKRQUBRMIRWETI-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105575307 1366540587 /nfs/dbraw/zinc/54/05/87/1366540587.db2.gz YFKMKAXWZRVCKG-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105577333 1366541281 /nfs/dbraw/zinc/54/12/81/1366541281.db2.gz UOBPMXMMUWMVOQ-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001106196049 1366621062 /nfs/dbraw/zinc/62/10/62/1366621062.db2.gz SXKNMJLSDNZIMC-NVXWUHKLSA-N 2 0 349.544 3.074 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC001106336691 1366659945 /nfs/dbraw/zinc/65/99/45/1366659945.db2.gz ZUROFNMUHFGTIF-ZHALLVOQSA-N 2 0 345.531 3.162 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001106775391 1366794642 /nfs/dbraw/zinc/79/46/42/1366794642.db2.gz BIGCWRGDLCJJSZ-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106779617 1366795826 /nfs/dbraw/zinc/79/58/26/1366795826.db2.gz SWXSVRSBOFKSPJ-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001106983968 1366852069 /nfs/dbraw/zinc/85/20/69/1366852069.db2.gz RGNWBFYXSLMMGA-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439413 1366963715 /nfs/dbraw/zinc/96/37/15/1366963715.db2.gz ZZNQORQYQMJVJQ-IAOFLLFISA-N 2 0 347.547 3.044 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001107454311 1366968822 /nfs/dbraw/zinc/96/88/22/1366968822.db2.gz BEQIMTFUCATPTM-YLJYHZDGSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189309977 1366984944 /nfs/dbraw/zinc/98/49/44/1366984944.db2.gz DAKSXQAIPGJEQS-SLFFLAALSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001189453044 1367024817 /nfs/dbraw/zinc/02/48/17/1367024817.db2.gz CHVJGGMANMWZNM-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)C)CC2)[NH+](C)C ZINC001107554740 1367040621 /nfs/dbraw/zinc/04/06/21/1367040621.db2.gz LQPGWUNQINUBIY-NLWGTHIKSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107583273 1367057247 /nfs/dbraw/zinc/05/72/47/1367057247.db2.gz UDQCKMYPGUVGAJ-BVUSGXHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107614549 1367073662 /nfs/dbraw/zinc/07/36/62/1367073662.db2.gz FPURMSHFNFJKQK-CWHLKURSSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001324958629 1387852052 /nfs/dbraw/zinc/85/20/52/1387852052.db2.gz VPVUYRQKFQWCJC-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001109417458 1367112382 /nfs/dbraw/zinc/11/23/82/1367112382.db2.gz CNCOSLSWSKPLKI-YRPNKDGESA-N 2 0 345.531 3.083 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001109419666 1367113365 /nfs/dbraw/zinc/11/33/65/1367113365.db2.gz ZIEGHHTXOOPSHP-MHORFTMASA-N 2 0 335.536 3.019 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3CCC(C)CC3)C[C@H]21 ZINC001189912829 1367130525 /nfs/dbraw/zinc/13/05/25/1367130525.db2.gz HFYPOBYNTPSVHI-GHBBCFCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109563504 1367200379 /nfs/dbraw/zinc/20/03/79/1367200379.db2.gz WXBDEVGDYXTSEW-QYZOEREBSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190323794 1367227159 /nfs/dbraw/zinc/22/71/59/1367227159.db2.gz FGGFNNPWOKHKKD-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672746 1367275109 /nfs/dbraw/zinc/27/51/09/1367275109.db2.gz ROURECCIBWJGPQ-ZSGPHXLJSA-N 2 0 349.906 3.074 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656551 1367320081 /nfs/dbraw/zinc/32/00/81/1367320081.db2.gz UZYLGPKGVWCJSH-OYQYDDJWSA-N 2 0 349.563 3.243 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798577 1367328760 /nfs/dbraw/zinc/32/87/60/1367328760.db2.gz JDLFKNLBJRRMIZ-RRLLLCOMSA-N 2 0 347.547 3.327 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841167 1367351786 /nfs/dbraw/zinc/35/17/86/1367351786.db2.gz KUKOJLJVPLGBFZ-AABGKKOBSA-N 2 0 343.515 3.274 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001110016519 1367459416 /nfs/dbraw/zinc/45/94/16/1367459416.db2.gz SBHVQGSCCMOTRY-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001110019430 1367460998 /nfs/dbraw/zinc/46/09/98/1367460998.db2.gz WXZOHVYCJNGGQX-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001110148122 1367525799 /nfs/dbraw/zinc/52/57/99/1367525799.db2.gz KIGFZJSQXIRWPT-AABGKKOBSA-N 2 0 347.547 3.164 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738659 1367567648 /nfs/dbraw/zinc/56/76/48/1367567648.db2.gz CYTJGJBRJJKFQU-OTWHNJEPSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108751522 1367573855 /nfs/dbraw/zinc/57/38/55/1367573855.db2.gz VLLIHANIFZLVQF-OJUCNMNVSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794091 1367599851 /nfs/dbraw/zinc/59/98/51/1367599851.db2.gz NZCHEKZRFXXQTO-AMIRNFFCSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108800410 1367603830 /nfs/dbraw/zinc/60/38/30/1367603830.db2.gz CNEZWOHFLSXXLK-OTWHNJEPSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(CC)CC)C2)C1 ZINC001191921785 1367640191 /nfs/dbraw/zinc/64/01/91/1367640191.db2.gz FSOWKCNXAGCNBJ-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)[NH+](CC)CC ZINC001192325589 1367752604 /nfs/dbraw/zinc/75/26/04/1367752604.db2.gz MAYWGDZHOKSSAK-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671467 1367846291 /nfs/dbraw/zinc/84/62/91/1367846291.db2.gz KXPNVYBOZBLFCY-PWBPZBFBSA-N 2 0 335.536 3.138 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657900 1367901693 /nfs/dbraw/zinc/90/16/93/1367901693.db2.gz DIVXOTLZOHXPRJ-ZFTSPJNCSA-N 2 0 347.547 3.042 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748475 1367958546 /nfs/dbraw/zinc/95/85/46/1367958546.db2.gz FSZZDALTBNHKTQ-QRVBRYPASA-N 2 0 349.563 3.407 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193280021 1367990073 /nfs/dbraw/zinc/99/00/73/1367990073.db2.gz SUSWQRDHXNUJIC-OALUTQOASA-N 2 0 345.531 3.239 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857589 1368037549 /nfs/dbraw/zinc/03/75/49/1368037549.db2.gz JEZIVJSOBUMBDC-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193600967 1368070344 /nfs/dbraw/zinc/07/03/44/1368070344.db2.gz PJQRWWFYWQMMJR-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cccc(CC)c2)C1 ZINC001193601066 1368070506 /nfs/dbraw/zinc/07/05/06/1368070506.db2.gz RHYZJQVYEKRCEG-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001193610020 1368073861 /nfs/dbraw/zinc/07/38/61/1368073861.db2.gz LCIAZLSZPVCOPR-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934759 1368105172 /nfs/dbraw/zinc/10/51/72/1368105172.db2.gz MOWMTTMRYRJFPV-MANSERQUSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001110993105 1368138204 /nfs/dbraw/zinc/13/82/04/1368138204.db2.gz MICSVPNXZPVPCM-YSTOQKLRSA-N 2 0 349.563 3.265 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246773 1368217286 /nfs/dbraw/zinc/21/72/86/1368217286.db2.gz RPWIBKKWJQDRBR-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001111269213 1368235807 /nfs/dbraw/zinc/23/58/07/1368235807.db2.gz VRAOLLKHCOGKPG-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC2(CCC2)C1 ZINC001111307782 1368262248 /nfs/dbraw/zinc/26/22/48/1368262248.db2.gz WYABHPMJPQMHKH-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+]2CCCC2)C3)C1 ZINC001111498357 1368321005 /nfs/dbraw/zinc/32/10/05/1368321005.db2.gz QGFAFNBPVRZEDA-WKXIVMOISA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740945 1368438279 /nfs/dbraw/zinc/43/82/79/1368438279.db2.gz VABKVHRXXHUUHI-BJLQDIEVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111818180 1368480212 /nfs/dbraw/zinc/48/02/12/1368480212.db2.gz UQRFTRCOUIOOFD-PXNSSMCTSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001111846975 1368501240 /nfs/dbraw/zinc/50/12/40/1368501240.db2.gz GIDXQWKOJCERQV-DYXWJJEUSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195853090 1368503591 /nfs/dbraw/zinc/50/35/91/1368503591.db2.gz GSBPWNRKACDPIH-UHDDOPSISA-N 2 0 347.547 3.142 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001111890842 1368535491 /nfs/dbraw/zinc/53/54/91/1368535491.db2.gz BOXYPHUTPWGAMK-DYXWJJEUSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926929 1368563631 /nfs/dbraw/zinc/56/36/31/1368563631.db2.gz QEHZDOYJJJKEJT-LGYYHMKYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+](Cc2c(C)cccc2C)CC1 ZINC001196349356 1368595615 /nfs/dbraw/zinc/59/56/15/1368595615.db2.gz HAHDXZGNTZCRQB-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CCCC[N@H+](CCOC(=O)N(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545948 1368636101 /nfs/dbraw/zinc/63/61/01/1368636101.db2.gz VRAGVBUNUZIFKW-UHFFFAOYSA-N 2 0 327.513 3.096 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196642054 1368654214 /nfs/dbraw/zinc/65/42/14/1368654214.db2.gz YCFNKLLQNMTVLX-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCC1 ZINC001196656922 1368656901 /nfs/dbraw/zinc/65/69/01/1368656901.db2.gz WMHDQOLFOKEQNU-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NC2=CC[C@@H](C(F)(F)F)CC2)CC1 ZINC001196890551 1368708173 /nfs/dbraw/zinc/70/81/73/1368708173.db2.gz UKUDDKBNDUTNFO-CYBMUJFWSA-N 2 0 340.393 3.492 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970655 1368723380 /nfs/dbraw/zinc/72/33/80/1368723380.db2.gz PHOSWPQSIMCFIM-UHFFFAOYSA-N 2 0 345.531 3.186 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1)[NH+](CC)CC ZINC001197141339 1368753675 /nfs/dbraw/zinc/75/36/75/1368753675.db2.gz GZFNVQXLUGAFBB-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001197141675 1368753743 /nfs/dbraw/zinc/75/37/43/1368753743.db2.gz MAOSWAIWTMHCBL-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001197141588 1368753748 /nfs/dbraw/zinc/75/37/48/1368753748.db2.gz JUADPFRHWAYDMR-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197181199 1368760896 /nfs/dbraw/zinc/76/08/96/1368760896.db2.gz TVIHYQINITVHFK-HJWRWDBZSA-N 2 0 337.552 3.245 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001112354571 1368786476 /nfs/dbraw/zinc/78/64/76/1368786476.db2.gz OQBNGLVDZAEBDA-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197404314 1368807584 /nfs/dbraw/zinc/80/75/84/1368807584.db2.gz XQMVNSGDDHRIOF-MOPGFXCFSA-N 2 0 335.536 3.118 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448370 1368816956 /nfs/dbraw/zinc/81/69/56/1368816956.db2.gz WULDDJCNGNPTCX-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477215 1368823531 /nfs/dbraw/zinc/82/35/31/1368823531.db2.gz DGLYWZGGXADSBU-LJQANCHMSA-N 2 0 339.568 3.467 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112432212 1368848278 /nfs/dbraw/zinc/84/82/78/1368848278.db2.gz YZXUPSXTAYZGIJ-OMNYCCODSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197707862 1368877631 /nfs/dbraw/zinc/87/76/31/1368877631.db2.gz POBRCIKNHNZQCH-IBGZPJMESA-N 2 0 349.494 3.153 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197809514 1368903531 /nfs/dbraw/zinc/90/35/31/1368903531.db2.gz BRPXLAKXQFJGIL-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112551519 1368924455 /nfs/dbraw/zinc/92/44/55/1368924455.db2.gz DTRHDISAFWIHBL-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198135864 1368965648 /nfs/dbraw/zinc/96/56/48/1368965648.db2.gz AZQRIXCATUTXHH-ONEGZZNKSA-N 2 0 335.536 3.143 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259810 1368991908 /nfs/dbraw/zinc/99/19/08/1368991908.db2.gz RKXGVIKEDMTQDU-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001198259071 1368992275 /nfs/dbraw/zinc/99/22/75/1368992275.db2.gz KKNXHLYNQDJDCT-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112854975 1369048431 /nfs/dbraw/zinc/04/84/31/1369048431.db2.gz GFFQMHVLAUFCCJ-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001325458229 1387979828 /nfs/dbraw/zinc/97/98/28/1387979828.db2.gz VKIRNSAGCQQLSK-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112964922 1369112183 /nfs/dbraw/zinc/11/21/83/1369112183.db2.gz CKDJJNSLJWMBCW-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](CC3CCC3)CC2)CC1 ZINC001186604439 1387983461 /nfs/dbraw/zinc/98/34/61/1387983461.db2.gz DFABAMWHKNVOPD-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)[NH+]1CCCCC1 ZINC001200578565 1369393431 /nfs/dbraw/zinc/39/34/31/1369393431.db2.gz XGTXKNMVEROJCP-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200578561 1369394088 /nfs/dbraw/zinc/39/40/88/1369394088.db2.gz XFPZPWPCSJDLFX-HSJMLMCGSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001200645060 1369404887 /nfs/dbraw/zinc/40/48/87/1369404887.db2.gz YXOUXYCTFAZWLM-AWTIPJNISA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053451 1369472968 /nfs/dbraw/zinc/47/29/68/1369472968.db2.gz PRFGEQUSNMZKQI-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053432 1369473021 /nfs/dbraw/zinc/47/30/21/1369473021.db2.gz OYJURCVIXMYXLH-WUUFJKRQSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001201183042 1369491549 /nfs/dbraw/zinc/49/15/49/1369491549.db2.gz RXRLNFRJUQWQPU-AEFFLSMTSA-N 2 0 334.508 3.097 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001201182049 1369491860 /nfs/dbraw/zinc/49/18/60/1369491860.db2.gz ABYJIIJHVLRUSK-SFHVURJKSA-N 2 0 332.492 3.017 20 0 EGADRP Cc1c(C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)ccc2c[nH+]cn21 ZINC001201394369 1369535539 /nfs/dbraw/zinc/53/55/39/1369535539.db2.gz VOUHHMJAVCOCGZ-UHFFFAOYSA-N 2 0 342.487 3.273 20 0 EGADRP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC001201417316 1369541691 /nfs/dbraw/zinc/54/16/91/1369541691.db2.gz RYHHXIANAAQAKH-SFHVURJKSA-N 2 0 328.504 3.083 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201441049 1369545880 /nfs/dbraw/zinc/54/58/80/1369545880.db2.gz VWJGYNWEMRMMRM-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001113680725 1369562516 /nfs/dbraw/zinc/56/25/16/1369562516.db2.gz RWAJZTFEEJVOCD-SFHVURJKSA-N 2 0 345.531 3.188 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001113682767 1369563987 /nfs/dbraw/zinc/56/39/87/1369563987.db2.gz RGBZMYNQVZKLJA-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201543155 1369569207 /nfs/dbraw/zinc/56/92/07/1369569207.db2.gz CAPWBSKGIVJCGH-YRPNKDGESA-N 2 0 332.536 3.493 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201611152 1369589883 /nfs/dbraw/zinc/58/98/83/1369589883.db2.gz VOKQSZWZJDRVOS-MRXNPFEDSA-N 2 0 342.487 3.211 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001201638176 1369594275 /nfs/dbraw/zinc/59/42/75/1369594275.db2.gz IRURPHZSIKPYNZ-CTNGQTDRSA-N 2 0 343.515 3.042 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(-c4cccs4)no3)cc[nH+]2)CC1 ZINC001201654004 1369597094 /nfs/dbraw/zinc/59/70/94/1369597094.db2.gz GYRYZIVVOAFHHR-UHFFFAOYSA-N 2 0 341.440 3.294 20 0 EGADRP Cc1cc(CC(C)C)ncc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201657014 1369598587 /nfs/dbraw/zinc/59/85/87/1369598587.db2.gz FHAMDULZUVYOAC-UHFFFAOYSA-N 2 0 339.487 3.479 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(-c4ccncn4)cc3)cc[nH+]2)CC1 ZINC001201667570 1369601444 /nfs/dbraw/zinc/60/14/44/1369601444.db2.gz UVBLEMMBCABXTE-UHFFFAOYSA-N 2 0 346.438 3.034 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(C(C)(C)C)ccc3N)cc[nH+]2)CC1 ZINC001201667669 1369601561 /nfs/dbraw/zinc/60/15/61/1369601561.db2.gz YVUKHJSQAAJYIK-UHFFFAOYSA-N 2 0 339.487 3.457 20 0 EGADRP CCOc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(F)c1 ZINC001201666575 1369601980 /nfs/dbraw/zinc/60/19/80/1369601980.db2.gz DBKMTKQSKIFGQW-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(Cl)cc4ncoc43)cc[nH+]2)CC1 ZINC001201672808 1369602714 /nfs/dbraw/zinc/60/27/14/1369602714.db2.gz MUCDFKYPKQKWEL-UHFFFAOYSA-N 2 0 343.818 3.372 20 0 EGADRP CC(=O)c1cccc(Cl)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201672029 1369602835 /nfs/dbraw/zinc/60/28/35/1369602835.db2.gz HGYFSZPYJCFNPT-UHFFFAOYSA-N 2 0 344.846 3.433 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201817719 1369628168 /nfs/dbraw/zinc/62/81/68/1369628168.db2.gz DFUHIMGNJQVMTP-UHFFFAOYSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC([NH2+]CCC3CCCC3)CC2)CCCC1 ZINC001201839985 1369632029 /nfs/dbraw/zinc/63/20/29/1369632029.db2.gz MUXVADIDMRISHF-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156540 1369702966 /nfs/dbraw/zinc/70/29/66/1369702966.db2.gz GROBPDXFFISIDJ-HXUWFJFHSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001202197903 1369712968 /nfs/dbraw/zinc/71/29/68/1369712968.db2.gz XROIZEHJNCYAJN-UHFFFAOYSA-N 2 0 349.519 3.362 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001202474309 1369783037 /nfs/dbraw/zinc/78/30/37/1369783037.db2.gz YVJGVBNCUAHEJM-HKUYNNGSSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)[NH+](CC)CC ZINC001202473110 1369783163 /nfs/dbraw/zinc/78/31/63/1369783163.db2.gz FYGYSSBZTJVPSY-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001202509534 1369794588 /nfs/dbraw/zinc/79/45/88/1369794588.db2.gz BUFUSIZWPMWYHS-KRWDZBQOSA-N 2 0 345.531 3.031 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001202771531 1369885735 /nfs/dbraw/zinc/88/57/35/1369885735.db2.gz GQNLGGWDZSGLQW-AATRIKPKSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001186981046 1388035006 /nfs/dbraw/zinc/03/50/06/1388035006.db2.gz KGLYMYJGFNGWIN-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202772979 1369887065 /nfs/dbraw/zinc/88/70/65/1369887065.db2.gz VZPKQUQITGCEHQ-LJQANCHMSA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202862986 1369910565 /nfs/dbraw/zinc/91/05/65/1369910565.db2.gz HYBJTKIXJWURTF-UNQUKWGNSA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC001202973393 1369942678 /nfs/dbraw/zinc/94/26/78/1369942678.db2.gz GLVOKHRPARXAFC-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccc(F)cc1 ZINC001203010838 1369952568 /nfs/dbraw/zinc/95/25/68/1369952568.db2.gz WUIDLZMMDKBEJX-LJQANCHMSA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](Cc1cccc2nonc21)C1CC[NH+](C2CCCCC2)CC1 ZINC001203142171 1369997411 /nfs/dbraw/zinc/99/74/11/1369997411.db2.gz CNVAAXPFXMAHFR-UHFFFAOYSA-N 2 0 328.460 3.452 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230550 1370033086 /nfs/dbraw/zinc/03/30/86/1370033086.db2.gz NUEMSKAAJMBNOG-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001114729388 1370051351 /nfs/dbraw/zinc/05/13/51/1370051351.db2.gz QHDPVJQFSXYWLZ-WCIQWLHISA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203324361 1370082622 /nfs/dbraw/zinc/08/26/22/1370082622.db2.gz HGPAUOOGGFKGKV-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330090 1370083755 /nfs/dbraw/zinc/08/37/55/1370083755.db2.gz CQCHMDMXABDNBW-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203407312 1370114730 /nfs/dbraw/zinc/11/47/30/1370114730.db2.gz JQMXDHFZEPSXAN-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001203431350 1370123244 /nfs/dbraw/zinc/12/32/44/1370123244.db2.gz CDCLQZKGYIGZJZ-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203554452 1370167592 /nfs/dbraw/zinc/16/75/92/1370167592.db2.gz CEINVHPLVCKGSF-RBUKOAKNSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203579379 1370177471 /nfs/dbraw/zinc/17/74/71/1370177471.db2.gz ZKPRJFNCFGCXNL-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203579378 1370177525 /nfs/dbraw/zinc/17/75/25/1370177525.db2.gz ZKPRJFNCFGCXNL-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203630291 1370193047 /nfs/dbraw/zinc/19/30/47/1370193047.db2.gz FRAOIFDYAWBCMG-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203652726 1370202564 /nfs/dbraw/zinc/20/25/64/1370202564.db2.gz XAECORGTBFPLJY-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203769881 1370257641 /nfs/dbraw/zinc/25/76/41/1370257641.db2.gz CABWMCMQKYEYKZ-IFEVLTCRSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203791217 1370266033 /nfs/dbraw/zinc/26/60/33/1370266033.db2.gz FKEWSDCGQGYGRB-RBUKOAKNSA-N 2 0 347.547 3.234 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203794214 1370267966 /nfs/dbraw/zinc/26/79/66/1370267966.db2.gz VSHCURZVMQQLJS-HNGSOEQISA-N 2 0 335.536 3.090 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001115111448 1370286085 /nfs/dbraw/zinc/28/60/85/1370286085.db2.gz QDVVFCGXHVDZHD-SNVCYTGHSA-N 2 0 349.563 3.291 20 0 EGADRP COc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001203954280 1370327785 /nfs/dbraw/zinc/32/77/85/1370327785.db2.gz BWNZDEVLVLLLSG-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc[nH]4)CC3)C2)cc1 ZINC001204004559 1370345625 /nfs/dbraw/zinc/34/56/25/1370345625.db2.gz DDOSHZYXOOUUIB-UHFFFAOYSA-N 2 0 339.483 3.190 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115306198 1370370320 /nfs/dbraw/zinc/37/03/20/1370370320.db2.gz KELPJYSGFJYQLE-FUMNGEBKSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001204138280 1370387045 /nfs/dbraw/zinc/38/70/45/1370387045.db2.gz GSPLSPJPOOTHBG-UHFFFAOYSA-N 2 0 337.511 3.423 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC[C@@]1(C)O ZINC001204263114 1370425483 /nfs/dbraw/zinc/42/54/83/1370425483.db2.gz GRMALGYSFQYHBO-YLJYHZDGSA-N 2 0 334.504 3.000 20 0 EGADRP Cc1c(F)cccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001204506243 1370496854 /nfs/dbraw/zinc/49/68/54/1370496854.db2.gz GNVSSUCDECMVKM-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115535256 1370532106 /nfs/dbraw/zinc/53/21/06/1370532106.db2.gz PCARQSZQHWBSLW-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CC1(C[NH+]2CCN(c3ccc(F)c(Cl)c3F)CC2)CC[NH2+]CC1 ZINC001204764364 1370570650 /nfs/dbraw/zinc/57/06/50/1370570650.db2.gz XWUIFSLCEGKZLL-UHFFFAOYSA-N 2 0 343.849 3.130 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1)C1CC1 ZINC001115573349 1370575593 /nfs/dbraw/zinc/57/55/93/1370575593.db2.gz OBLCRTMMOKTCPG-SFHVURJKSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1)C1CC1 ZINC001115573419 1370575874 /nfs/dbraw/zinc/57/58/74/1370575874.db2.gz RCSSQHGTMXHTOB-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001204799508 1370578802 /nfs/dbraw/zinc/57/88/02/1370578802.db2.gz YYVAWBUWMVXSPU-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115579494 1370582865 /nfs/dbraw/zinc/58/28/65/1370582865.db2.gz REPZZWBRNFSYDV-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115592175 1370593289 /nfs/dbraw/zinc/59/32/89/1370593289.db2.gz XEQGCSFTSANJLM-RTBURBONSA-N 2 0 347.547 3.378 20 0 EGADRP COc1ccc(CC[N@H+](CCC[NH2+]C2CCCCC2)C[C@@H](C)O)cc1 ZINC001204896866 1370599419 /nfs/dbraw/zinc/59/94/19/1370599419.db2.gz QRDWMFLVCSIXDU-GOSISDBHSA-N 2 0 348.531 3.233 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)CC)CCCCC1 ZINC001115601515 1370600945 /nfs/dbraw/zinc/60/09/45/1370600945.db2.gz DXOGFYWUJMKHFL-INIZCTEOSA-N 2 0 325.541 3.172 20 0 EGADRP COc1ccc(N(C)c2ccc(CN3C[C@@H]([NH3+])C4(CC4)C3)cc2)cc1 ZINC001204903774 1370601336 /nfs/dbraw/zinc/60/13/36/1370601336.db2.gz DMVMBDSWAVISRU-HXUWFJFHSA-N 2 0 337.467 3.386 20 0 EGADRP O=C(NCC1([NH2+]C/C=C/Cl)CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001115617402 1370614193 /nfs/dbraw/zinc/61/41/93/1370614193.db2.gz UQKUODDBAJHKDS-XBXARRHUSA-N 2 0 346.862 3.109 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648413 1370637098 /nfs/dbraw/zinc/63/70/98/1370637098.db2.gz PDBUXLGFLSXPSO-PKOBYXMFSA-N 2 0 349.563 3.316 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC1 ZINC001205219243 1370685281 /nfs/dbraw/zinc/68/52/81/1370685281.db2.gz BBABXWWTDYLFJQ-FQEVSTJZSA-N 2 0 328.431 3.168 20 0 EGADRP CCc1cccc2cc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)c(Cl)nc21 ZINC001205221390 1370685933 /nfs/dbraw/zinc/68/59/33/1370685933.db2.gz TZNRBJBJTZHQJK-LJQANCHMSA-N 2 0 347.890 3.126 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCCC2)c(C)c1 ZINC001115707872 1370687117 /nfs/dbraw/zinc/68/71/17/1370687117.db2.gz AVSSPCUZJUHHRC-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccccc2CCc2ccccc2)CC1 ZINC001205247078 1370695046 /nfs/dbraw/zinc/69/50/46/1370695046.db2.gz AMRXHRPMMPSKQN-QFIPXVFZSA-N 2 0 338.495 3.148 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1)[NH+](CC)CC ZINC001115726513 1370707546 /nfs/dbraw/zinc/70/75/46/1370707546.db2.gz GOWIIRGRDIWBSK-IRXDYDNUSA-N 2 0 343.531 3.264 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1)[NH+](CC)CC ZINC001115726797 1370707952 /nfs/dbraw/zinc/70/79/52/1370707952.db2.gz SIXCAEOGXOEBKW-SFHVURJKSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@H]1CC[N@H+](CCCc2ccccc2Br)C[C@@H]1C[NH3+] ZINC001205296379 1370710890 /nfs/dbraw/zinc/71/08/90/1370710890.db2.gz NUUPXMZAVYXHIM-ZFWWWQNUSA-N 2 0 325.294 3.298 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729462 1370711432 /nfs/dbraw/zinc/71/14/32/1370711432.db2.gz GSHDGXFTYKEOQA-XDXAGZTOSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730485 1370712943 /nfs/dbraw/zinc/71/29/43/1370712943.db2.gz LAURHRBNWBEJLF-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420537 1370749586 /nfs/dbraw/zinc/74/95/86/1370749586.db2.gz YXDJICVBTNKORE-ZMBJWTFHSA-N 2 0 335.536 3.045 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115765814 1370750499 /nfs/dbraw/zinc/75/04/99/1370750499.db2.gz GYFVIHMCNFPPTD-MRXNPFEDSA-N 2 0 348.535 3.433 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001187306749 1388092098 /nfs/dbraw/zinc/09/20/98/1388092098.db2.gz NXRYAFIHUSSNQP-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCCCC1 ZINC001115776414 1370759370 /nfs/dbraw/zinc/75/93/70/1370759370.db2.gz OXOXKPKZNQWAAR-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]Cc2cccc(C)c2)CCCCC1 ZINC001115777377 1370760320 /nfs/dbraw/zinc/76/03/20/1370760320.db2.gz VUKCLHMKDKTZDS-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]CCCC(C)(C)C)CC2)CCC1 ZINC001205457902 1370761720 /nfs/dbraw/zinc/76/17/20/1370761720.db2.gz VRRARTSIODPBGT-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205462131 1370763485 /nfs/dbraw/zinc/76/34/85/1370763485.db2.gz SQWVKGIAWOTJAI-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115787340 1370770056 /nfs/dbraw/zinc/77/00/56/1370770056.db2.gz XSDZVIKNEQFMBG-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205560104 1370791040 /nfs/dbraw/zinc/79/10/40/1370791040.db2.gz ZZIIWQKRLKYPAB-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590133 1370803098 /nfs/dbraw/zinc/80/30/98/1370803098.db2.gz AMFIWKXLXUAPAN-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205593883 1370803305 /nfs/dbraw/zinc/80/33/05/1370803305.db2.gz HECILECJQIUFPZ-RRFGBZISSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205599814 1370806533 /nfs/dbraw/zinc/80/65/33/1370806533.db2.gz AFKBKBNWVCVIJZ-GIVPXCGWSA-N 2 0 329.532 3.348 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616979 1370811615 /nfs/dbraw/zinc/81/16/15/1370811615.db2.gz RJMCTHAOYFDLKS-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccc(Oc3ncccn3)c2)CC[C@@H]1C[NH3+] ZINC001205618215 1370813473 /nfs/dbraw/zinc/81/34/73/1370813473.db2.gz STDUYXHXNXGFJY-NVXWUHKLSA-N 2 0 326.444 3.076 20 0 EGADRP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Br)c1 ZINC001205629208 1370817363 /nfs/dbraw/zinc/81/73/63/1370817363.db2.gz YKMWMGHXYQANPW-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP COc1cc(Cl)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC)c1 ZINC001205639474 1370822694 /nfs/dbraw/zinc/82/26/94/1370822694.db2.gz ZGQHMVBNGQXOQE-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2Oc2cnccn2)CC[C@@H]1C[NH3+] ZINC001205651111 1370827293 /nfs/dbraw/zinc/82/72/93/1370827293.db2.gz AFUKQMZFZGHXOW-HZPDHXFCSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(Br)ccc(O)c2F)CC[C@H]1C[NH3+] ZINC001205651267 1370828679 /nfs/dbraw/zinc/82/86/79/1370828679.db2.gz BUJKISNEULTJEO-QWRGUYRKSA-N 2 0 345.256 3.101 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC[C@@H]1C[NH3+] ZINC001205653725 1370830088 /nfs/dbraw/zinc/83/00/88/1370830088.db2.gz UUALZABEMNQWFN-UKRRQHHQSA-N 2 0 331.485 3.323 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1OC(F)(F)F ZINC001205663344 1370833922 /nfs/dbraw/zinc/83/39/22/1370833922.db2.gz HWQJALLBWUQPSC-OCCSQVGLSA-N 2 0 346.393 3.401 20 0 EGADRP Cc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1Oc1ccccc1 ZINC001205735738 1370855536 /nfs/dbraw/zinc/85/55/36/1370855536.db2.gz QENRCDAUKFXWRP-NRFANRHFSA-N 2 0 340.467 3.463 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751989 1370860654 /nfs/dbraw/zinc/86/06/54/1370860654.db2.gz RXNQTDKSZZRZQW-WUUFJKRQSA-N 2 0 347.547 3.045 20 0 EGADRP [NH3+]C[C@@H]1CN(Cc2cccc(-c3ccc(F)cc3)n2)CCC1(F)F ZINC001205781275 1370867741 /nfs/dbraw/zinc/86/77/41/1370867741.db2.gz VOQJBTCDEZGNOL-CQSZACIVSA-N 2 0 335.373 3.304 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001116294429 1370880060 /nfs/dbraw/zinc/88/00/60/1370880060.db2.gz YJPBJRAZSMDQPR-LEWJYISDSA-N 2 0 347.522 3.295 20 0 EGADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CCCc1ccc(Br)cc1 ZINC001205902824 1370905276 /nfs/dbraw/zinc/90/52/76/1370905276.db2.gz LWKKRJGRWMIKOW-ZFWWWQNUSA-N 2 0 325.294 3.441 20 0 EGADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001205901786 1370905295 /nfs/dbraw/zinc/90/52/95/1370905295.db2.gz GGXQUMHPMGPKQY-NWDGAFQWSA-N 2 0 336.277 3.490 20 0 EGADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCCc1ccc(Br)cc1 ZINC001205902822 1370905393 /nfs/dbraw/zinc/90/53/93/1370905393.db2.gz LWKKRJGRWMIKOW-UKRRQHHQSA-N 2 0 325.294 3.441 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(F)c2Br)CCC[C@H]1C[NH3+] ZINC001205994076 1370932942 /nfs/dbraw/zinc/93/29/42/1370932942.db2.gz IYWXDASFQPOYOO-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(F)cc2Br)CCC[C@@H]1C[NH3+] ZINC001205994390 1370932929 /nfs/dbraw/zinc/93/29/29/1370932929.db2.gz LJVJNRRDEQDOKV-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205995848 1370932994 /nfs/dbraw/zinc/93/29/94/1370932994.db2.gz RCKKAOGDMZRWAC-MAUKXSAKSA-N 2 0 326.488 3.296 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003830 1370935731 /nfs/dbraw/zinc/93/57/31/1370935731.db2.gz MXXPKMMYPRSATM-CABCVRRESA-N 2 0 343.471 3.151 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC001206024214 1370941190 /nfs/dbraw/zinc/94/11/90/1370941190.db2.gz YALKBVDNSDSTHW-OAQYLSRUSA-N 2 0 330.516 3.036 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206026555 1370942227 /nfs/dbraw/zinc/94/22/27/1370942227.db2.gz SVAJFAIIGYQDKS-DGCLKSJQSA-N 2 0 332.366 3.098 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206079832 1370956615 /nfs/dbraw/zinc/95/66/15/1370956615.db2.gz SCHFNTTUSFQRHM-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001206138596 1370969766 /nfs/dbraw/zinc/96/97/66/1370969766.db2.gz QJPWGCVQGMHYGL-GOSISDBHSA-N 2 0 345.531 3.144 20 0 EGADRP COc1cc(OC)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc12 ZINC001206210515 1370994048 /nfs/dbraw/zinc/99/40/48/1370994048.db2.gz KNXBJOYUBPYEOJ-SJORKVTESA-N 2 0 332.419 3.118 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC001117112675 1371011846 /nfs/dbraw/zinc/01/18/46/1371011846.db2.gz NWNOZLOOBRNIJR-DOTOQJQBSA-N 2 0 334.504 3.265 20 0 EGADRP Cc1cc(N2CCN(CC[C@@H]3CCCC[NH2+]3)CC2)c2ccccc2[nH+]1 ZINC001206285921 1371012762 /nfs/dbraw/zinc/01/27/62/1371012762.db2.gz PJVDHVHISBDDRC-SFHVURJKSA-N 2 0 338.499 3.197 20 0 EGADRP Cc1nc(Cl)c(CC[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)n1 ZINC001206296518 1371013742 /nfs/dbraw/zinc/01/37/42/1371013742.db2.gz TXGAPRZMACXUMK-OAHLLOKOSA-N 2 0 331.291 3.085 20 0 EGADRP Cn1c2ccccc2c(Cl)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1=O ZINC001206317245 1371020028 /nfs/dbraw/zinc/02/00/28/1371020028.db2.gz DMFRYVPINOHOIS-LJQANCHMSA-N 2 0 347.890 3.143 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206549228 1371089901 /nfs/dbraw/zinc/08/99/01/1371089901.db2.gz WJGLZVXOFWRLBW-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC001206592273 1371102432 /nfs/dbraw/zinc/10/24/32/1371102432.db2.gz ZZRKKWKCFDLDED-SFHVURJKSA-N 2 0 330.451 3.364 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC001117953839 1371113179 /nfs/dbraw/zinc/11/31/79/1371113179.db2.gz RMRKDKWLFGLAPI-HNNXBMFYSA-N 2 0 327.472 3.223 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001206633377 1371114116 /nfs/dbraw/zinc/11/41/16/1371114116.db2.gz XAYMRAATSZGGAJ-ZDUSSCGKSA-N 2 0 334.357 3.484 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1OC(F)(F)F ZINC001206633030 1371114533 /nfs/dbraw/zinc/11/45/33/1371114533.db2.gz RLSOLTPSPVNRAH-CYBMUJFWSA-N 2 0 332.366 3.155 20 0 EGADRP c1oc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC001118059801 1371126479 /nfs/dbraw/zinc/12/64/79/1371126479.db2.gz SVXFEFZVMLGBIE-GUDVDZBRSA-N 2 0 325.456 3.394 20 0 EGADRP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCc1ccccc1Br ZINC001206760897 1371155622 /nfs/dbraw/zinc/15/56/22/1371155622.db2.gz NKDDDONWNSKKAE-KGLIPLIRSA-N 2 0 325.294 3.441 20 0 EGADRP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCc1ccccc1Br ZINC001206760896 1371156086 /nfs/dbraw/zinc/15/60/86/1371156086.db2.gz NKDDDONWNSKKAE-KBPBESRZSA-N 2 0 325.294 3.441 20 0 EGADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC001118287434 1371158490 /nfs/dbraw/zinc/15/84/90/1371158490.db2.gz ZLCZDJPWLDTIGU-PKOBYXMFSA-N 2 0 335.536 3.009 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001206779538 1371163078 /nfs/dbraw/zinc/16/30/78/1371163078.db2.gz IXUHFJZPJUDZEV-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001206794707 1371169240 /nfs/dbraw/zinc/16/92/40/1371169240.db2.gz PYXKSHODUFNIBP-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001206890599 1371209375 /nfs/dbraw/zinc/20/93/75/1371209375.db2.gz ZBOVPGLCBXGAHZ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001206955284 1371244638 /nfs/dbraw/zinc/24/46/38/1371244638.db2.gz PEEJMAAHQZWCHC-KURKYZTESA-N 2 0 337.552 3.122 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283594 1371350493 /nfs/dbraw/zinc/35/04/93/1371350493.db2.gz AUVKKVPGPFVXJV-NHCUHLMSSA-N 3 0 343.559 3.418 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001207288047 1371351533 /nfs/dbraw/zinc/35/15/33/1371351533.db2.gz ZLLHNCYFYYKALW-NQIIRXRSSA-N 2 0 330.516 3.382 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291344 1371352739 /nfs/dbraw/zinc/35/27/39/1371352739.db2.gz NYHFNVXWONIWDX-UHFFFAOYSA-N 3 0 329.532 3.316 20 0 EGADRP COC(=O)[C@H]1CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC001207292338 1371353139 /nfs/dbraw/zinc/35/31/39/1371353139.db2.gz OIPIWXIWFHXKEW-PXNSSMCTSA-N 2 0 344.499 3.172 20 0 EGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(CC1CCC(F)(F)CC1)C2 ZINC001207347778 1371368020 /nfs/dbraw/zinc/36/80/20/1371368020.db2.gz UIZKHDBDZNZGSN-UHFFFAOYSA-N 2 0 340.462 3.364 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC(c3noc4ccc(F)cc43)CC2)CC1 ZINC001207398861 1371383573 /nfs/dbraw/zinc/38/35/73/1371383573.db2.gz RPKLLHCRMIXXOX-UHFFFAOYSA-N 2 0 331.435 3.488 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001207398875 1371383596 /nfs/dbraw/zinc/38/35/96/1371383596.db2.gz SCBMCTDYBUQIDS-UHFFFAOYSA-N 2 0 342.314 3.457 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC1 ZINC001207396961 1371383744 /nfs/dbraw/zinc/38/37/44/1371383744.db2.gz ZCNFQFQOULZJGT-UHFFFAOYSA-N 3 0 347.572 3.378 20 0 EGADRP Cc1cc2ccccc2nc1N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399042 1371384212 /nfs/dbraw/zinc/38/42/12/1371384212.db2.gz WOMRZIQIOYCIKG-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CN(Cc1ccc(F)cc1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399161 1371384460 /nfs/dbraw/zinc/38/44/60/1371384460.db2.gz FEEMZAPDJGIJAT-UHFFFAOYSA-N 2 0 333.495 3.064 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207399870 1371384772 /nfs/dbraw/zinc/38/47/72/1371384772.db2.gz XUPKRENCHYDNIS-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC001207440912 1371396967 /nfs/dbraw/zinc/39/69/67/1371396967.db2.gz LYIWPAASLMOBIN-IBGZPJMESA-N 2 0 332.488 3.076 20 0 EGADRP CCC[N@H+](CC1CC[NH2+]CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207441062 1371397020 /nfs/dbraw/zinc/39/70/20/1371397020.db2.gz PRYJYOSGXQEFHJ-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001207479629 1371408706 /nfs/dbraw/zinc/40/87/06/1371408706.db2.gz LBIWFQHJOKRFIA-UHFFFAOYSA-N 2 0 336.907 3.355 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001207487193 1371410768 /nfs/dbraw/zinc/41/07/68/1371410768.db2.gz RVSIZBJEZVQXMD-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487640 1371411016 /nfs/dbraw/zinc/41/10/16/1371411016.db2.gz PFSVOMBVACIETN-VXKWHMMOSA-N 3 0 341.543 3.172 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](CCc3ccccc3Br)C2)CC1 ZINC001207530692 1371426404 /nfs/dbraw/zinc/42/64/04/1371426404.db2.gz NHIKETRUBXITMI-UHFFFAOYSA-N 2 0 337.305 3.409 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540729 1371430087 /nfs/dbraw/zinc/43/00/87/1371430087.db2.gz BQOIUXLCRFGMFS-VRVMHYDOSA-N 2 0 347.547 3.186 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001120046200 1371468094 /nfs/dbraw/zinc/46/80/94/1371468094.db2.gz QOYWVPDBRSHWGR-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@H]2C1 ZINC001120071143 1371477581 /nfs/dbraw/zinc/47/75/81/1371477581.db2.gz FZZJULHFFHWUSE-VAMGGRTRSA-N 2 0 336.483 3.306 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3CCCCCC3)CCCCC2)C1 ZINC001120129586 1371491905 /nfs/dbraw/zinc/49/19/05/1371491905.db2.gz KCHMWPINGJTHEI-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001120188708 1371502295 /nfs/dbraw/zinc/50/22/95/1371502295.db2.gz CUTGADVHRGHTNO-YRNVUSSQSA-N 2 0 341.927 3.024 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001120208066 1371505532 /nfs/dbraw/zinc/50/55/32/1371505532.db2.gz SVRQVKGCFBZCRW-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208422 1371505699 /nfs/dbraw/zinc/50/56/99/1371505699.db2.gz ZEJQBLOQZQMNEH-GOSISDBHSA-N 2 0 337.552 3.460 20 0 EGADRP Cc1cccn2cc(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)nc12 ZINC001120361800 1371546787 /nfs/dbraw/zinc/54/67/87/1371546787.db2.gz DERZEPBQAAOLIL-UHFFFAOYSA-N 2 0 334.467 3.135 20 0 EGADRP C1=C2CCC[N@@H+](C[C@@H]3CCCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207959512 1371550864 /nfs/dbraw/zinc/55/08/64/1371550864.db2.gz MUDRVCWDNGDSBU-QGLKVJOYSA-N 2 0 330.516 3.451 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC)C1 ZINC001120429807 1371573351 /nfs/dbraw/zinc/57/33/51/1371573351.db2.gz BLNNWQCELWWUIQ-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048370 1371579816 /nfs/dbraw/zinc/57/98/16/1371579816.db2.gz HEZVJDKXBYYIFG-XFHJGTJQSA-N 2 0 335.536 3.188 20 0 EGADRP CC1(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC001208078500 1371589687 /nfs/dbraw/zinc/58/96/87/1371589687.db2.gz NTMPDKZMRBRQLB-PMACEKPBSA-N 2 0 328.500 3.257 20 0 EGADRP C[NH+](C)CCOCc1ncn2c1C[N@H+](CCCC1CCCC1)CCC2 ZINC001208091263 1371594260 /nfs/dbraw/zinc/59/42/60/1371594260.db2.gz VBTGJQPIQHBQHG-UHFFFAOYSA-N 2 0 348.535 3.137 20 0 EGADRP COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)CC1(C)CC[NH+](C)CC1 ZINC001208110298 1371597975 /nfs/dbraw/zinc/59/79/75/1371597975.db2.gz YEDMKFDSRONHQX-QGZVFWFLSA-N 2 0 334.504 3.264 20 0 EGADRP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208111431 1371598470 /nfs/dbraw/zinc/59/84/70/1371598470.db2.gz LHQQFECOWLQRMG-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208164006 1371614288 /nfs/dbraw/zinc/61/42/88/1371614288.db2.gz NVYDINYUABRXED-JNVNVXKGSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCN(CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208186636 1371627170 /nfs/dbraw/zinc/62/71/70/1371627170.db2.gz XECQXUOTSSRUOG-IBGZPJMESA-N 2 0 329.532 3.487 20 0 EGADRP CC/C=C\CCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001208189774 1371630084 /nfs/dbraw/zinc/63/00/84/1371630084.db2.gz BBEMKNNBJJHAOC-HILSMNSFSA-N 2 0 345.535 3.199 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+](CC3(c4ccccc4)CCOCC3)C[C@@H]2C1 ZINC001208233414 1371671697 /nfs/dbraw/zinc/67/16/97/1371671697.db2.gz GVTORGZSYIUOSI-KDURUIRLSA-N 2 0 328.500 3.008 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001208328931 1371719704 /nfs/dbraw/zinc/71/97/04/1371719704.db2.gz KTWZFEAQTBXPJQ-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001208330648 1371720646 /nfs/dbraw/zinc/72/06/46/1371720646.db2.gz BNSVPZPKMUFSKQ-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208423086 1371762564 /nfs/dbraw/zinc/76/25/64/1371762564.db2.gz DWBYVSOAOVBZIZ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001208446925 1371768594 /nfs/dbraw/zinc/76/85/94/1371768594.db2.gz DDXOWLAUVMUQKN-QAPCUYQASA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001208453351 1371771888 /nfs/dbraw/zinc/77/18/88/1371771888.db2.gz FJXLTAAKAUBLTE-RKWFYDHTSA-N 2 0 343.515 3.011 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)c1 ZINC001208454514 1371773107 /nfs/dbraw/zinc/77/31/07/1371773107.db2.gz WXDHTNGXRAPOBL-LJQANCHMSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575319 1371823424 /nfs/dbraw/zinc/82/34/24/1371823424.db2.gz NCZBVCODMNNXDM-BHIYHBOVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575558 1371824534 /nfs/dbraw/zinc/82/45/34/1371824534.db2.gz QJHXBSMNRCEVNZ-QRQLOZEOSA-N 2 0 337.552 3.124 20 0 EGADRP CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001208588400 1371830454 /nfs/dbraw/zinc/83/04/54/1371830454.db2.gz HSCNJQLBINBRTA-OAQYLSRUSA-N 2 0 329.532 3.457 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC001208591634 1371831151 /nfs/dbraw/zinc/83/11/51/1371831151.db2.gz MNNWJKHMNUZNOQ-NJDAHSKKSA-N 2 0 327.516 3.067 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CCC([NH+]3CCC3)CC2)cc1 ZINC001208593288 1371832667 /nfs/dbraw/zinc/83/26/67/1371832667.db2.gz GGUQFSJGDHUOHF-NRFANRHFSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001208593313 1371832716 /nfs/dbraw/zinc/83/27/16/1371832716.db2.gz GSRVUDBEQSRAFD-UHFFFAOYSA-N 2 0 336.907 3.355 20 0 EGADRP CC[N@H+](CC1CC[NH+](CC)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208598634 1371834591 /nfs/dbraw/zinc/83/45/91/1371834591.db2.gz VHCKEVKGNXPCDQ-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103064 1371854769 /nfs/dbraw/zinc/85/47/69/1371854769.db2.gz QKDUAOKJVISZDE-FCOWATRHSA-N 2 0 349.563 3.312 20 0 EGADRP COC(=O)[C@H](C)C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001208724787 1371874609 /nfs/dbraw/zinc/87/46/09/1371874609.db2.gz GXGGFBKLBGHQRI-GOSISDBHSA-N 2 0 344.499 3.174 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208748487 1371882935 /nfs/dbraw/zinc/88/29/35/1371882935.db2.gz JRJYRANXNHDAEN-TZFVZSICSA-N 2 0 347.547 3.188 20 0 EGADRP CC1([NH+]2CCCC2)CCN(CCOCCOCc2ccccc2)CC1 ZINC001208754427 1371884250 /nfs/dbraw/zinc/88/42/50/1371884250.db2.gz UGWLIZXRMQIUHA-UHFFFAOYSA-N 2 0 346.515 3.170 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759185 1371885744 /nfs/dbraw/zinc/88/57/44/1371885744.db2.gz RONAJHQWPRYCCU-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@@H]([NH2+]CC3=CCCCC3)C2)CCCC1 ZINC001208770160 1371890748 /nfs/dbraw/zinc/89/07/48/1371890748.db2.gz POBHRWLWCCJNNQ-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232877 1371901884 /nfs/dbraw/zinc/90/18/84/1371901884.db2.gz JRLMHJVTDBOYQE-GGQJKKPXSA-N 2 0 349.563 3.027 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+](CCCc3cccc(Br)c3)C[C@H]2C1 ZINC001208824677 1371907464 /nfs/dbraw/zinc/90/74/64/1371907464.db2.gz MWTPZCWIKVRCAB-HZPDHXFCSA-N 2 0 337.305 3.265 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC(C)C)C2)[NH+](C)C ZINC001121302293 1371929383 /nfs/dbraw/zinc/92/93/83/1371929383.db2.gz WNQVUEWWTPDONS-FKXCTXBZSA-N 2 0 337.552 3.026 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CC3(C)CCCCC3)CC2)C1 ZINC001208902054 1371938708 /nfs/dbraw/zinc/93/87/08/1371938708.db2.gz GHVGILMIYQVUMM-KRWDZBQOSA-N 2 0 336.520 3.306 20 0 EGADRP CC(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001121340967 1371942489 /nfs/dbraw/zinc/94/24/89/1371942489.db2.gz QDHKWLNBZLUREZ-UHFFFAOYSA-N 2 0 349.563 3.312 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919113 1371943836 /nfs/dbraw/zinc/94/38/36/1371943836.db2.gz OXSNRHWQEGMPKF-DKFQHHCZSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@]1(C)O ZINC001208931277 1371950922 /nfs/dbraw/zinc/95/09/22/1371950922.db2.gz IUXJIMBDMIUKON-GIVPXCGWSA-N 2 0 330.516 3.382 20 0 EGADRP C[C@]1(CO)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208933026 1371951507 /nfs/dbraw/zinc/95/15/07/1371951507.db2.gz SRXUHLXMOVCKGO-SFTDATJTSA-N 2 0 330.516 3.383 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208948224 1371959409 /nfs/dbraw/zinc/95/94/09/1371959409.db2.gz FRNMWZHTXYZJES-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP CCCCC[NH+]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208948796 1371959759 /nfs/dbraw/zinc/95/97/59/1371959759.db2.gz ILENQNAUAWITNM-NRFANRHFSA-N 2 0 329.532 3.316 20 0 EGADRP COC(=O)CCCCCCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001209092914 1371995872 /nfs/dbraw/zinc/99/58/72/1371995872.db2.gz XSXDUZAURJQAJB-UHFFFAOYSA-N 2 0 347.503 3.497 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142884 1372013444 /nfs/dbraw/zinc/01/34/44/1372013444.db2.gz WWXUEVHOABWUJG-QSMUSEHHSA-N 2 0 349.563 3.432 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001121639782 1372032753 /nfs/dbraw/zinc/03/27/53/1372032753.db2.gz QXXYGHSAHAQZRO-UHFFFAOYSA-N 2 0 347.503 3.018 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2 ZINC001121662777 1372039107 /nfs/dbraw/zinc/03/91/07/1372039107.db2.gz FEKJSMJBAJFFAC-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772447 1372076317 /nfs/dbraw/zinc/07/63/17/1372076317.db2.gz AKILOONORUQCJJ-OZSJIWHNSA-N 2 0 347.547 3.092 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001121791132 1372082076 /nfs/dbraw/zinc/08/20/76/1372082076.db2.gz ICGXAHSIRRMLIA-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC001209377969 1372082373 /nfs/dbraw/zinc/08/23/73/1372082373.db2.gz IQCAXCVSOXVSCG-OPVJXMOQSA-N 2 0 338.536 3.014 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2)[NH+](C)C ZINC001121797975 1372084045 /nfs/dbraw/zinc/08/40/45/1372084045.db2.gz CAODFEYOFWFKCQ-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1ccccc1)C2)[NH+](C)C ZINC001121797958 1372084324 /nfs/dbraw/zinc/08/43/24/1372084324.db2.gz BGBBTBHUGNSWMD-QWFIYREASA-N 2 0 343.515 3.105 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854710 1372103925 /nfs/dbraw/zinc/10/39/25/1372103925.db2.gz RACUUUJLOYZUQZ-FUSSNKQKSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)(C)OC(=O)N[C@@]1(C)CCCN(CCC[NH+]2CCCCC2)C1 ZINC001209447700 1372107925 /nfs/dbraw/zinc/10/79/25/1372107925.db2.gz CQRAGFPCMAEOIG-IBGZPJMESA-N 2 0 339.524 3.242 20 0 EGADRP CC[C@@H](C[N@H+](C(C)C)C1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC001209471775 1372114910 /nfs/dbraw/zinc/11/49/10/1372114910.db2.gz DADBVOOCIJNWPB-HNNXBMFYSA-N 2 0 327.513 3.094 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2)C(C)C ZINC001121924394 1372124363 /nfs/dbraw/zinc/12/43/63/1372124363.db2.gz YLNRTLKAUDLAFR-MBEFBZSESA-N 2 0 349.563 3.336 20 0 EGADRP COc1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc(F)c1O ZINC001209531806 1372129750 /nfs/dbraw/zinc/12/97/50/1372129750.db2.gz XPUOPJCLQSVUSI-UHFFFAOYSA-N 2 0 336.451 3.094 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001209565953 1372138419 /nfs/dbraw/zinc/13/84/19/1372138419.db2.gz JQMZSZBPOQYBTG-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585856 1372143784 /nfs/dbraw/zinc/14/37/84/1372143784.db2.gz RLJGCVLYKRNCFN-BHIYHBOVSA-N 2 0 339.568 3.226 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585166 1372143814 /nfs/dbraw/zinc/14/38/14/1372143814.db2.gz HEYRNNKSZTZOGG-QHDCNBPGSA-N 2 0 337.552 3.146 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001121995047 1372148454 /nfs/dbraw/zinc/14/84/54/1372148454.db2.gz OPTLGUXDAXTGRX-WOLZCAMPSA-N 2 0 349.563 3.170 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC(C)C)C1)[NH+](CC)CC ZINC001209614430 1372151658 /nfs/dbraw/zinc/15/16/58/1372151658.db2.gz OVEVZCRZHWKNPW-ZWKOTPCHSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1)[NH+](CC)CC ZINC001209614142 1372151835 /nfs/dbraw/zinc/15/18/35/1372151835.db2.gz NLCRPGDHQUNKML-RTBURBONSA-N 2 0 349.494 3.027 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001122022816 1372155330 /nfs/dbraw/zinc/15/53/30/1372155330.db2.gz JXZCNPQGBHNKKX-BQYQJAHWSA-N 2 0 335.536 3.092 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccnc(OC)c3)CC2)CC1 ZINC001209644448 1372160755 /nfs/dbraw/zinc/16/07/55/1372160755.db2.gz XQEHHJGPZPYXOI-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2 ZINC001122057415 1372164430 /nfs/dbraw/zinc/16/44/30/1372164430.db2.gz ZXJJHTSYRJLYIP-UHFFFAOYSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001209660126 1372164521 /nfs/dbraw/zinc/16/45/21/1372164521.db2.gz MFMVXIWUCZMSFY-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001122177437 1372194989 /nfs/dbraw/zinc/19/49/89/1372194989.db2.gz AYRCZKSEQUSCMC-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cnccn3)C[C@@H]21 ZINC001209780771 1372195368 /nfs/dbraw/zinc/19/53/68/1372195368.db2.gz DLRPNNNQXPWPQN-AYOQOUSVSA-N 2 0 342.512 3.271 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001122197546 1372199135 /nfs/dbraw/zinc/19/91/35/1372199135.db2.gz MOYLZOUJXFDQMS-PMRGXDQWSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210179537 1372289227 /nfs/dbraw/zinc/28/92/27/1372289227.db2.gz PIQGSBJEOXJRHP-QRVBRYPASA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)C(C)C ZINC001210189542 1372291528 /nfs/dbraw/zinc/29/15/28/1372291528.db2.gz IXNDRFIADHLLSN-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210217708 1372296113 /nfs/dbraw/zinc/29/61/13/1372296113.db2.gz LRHHJPGVOHIXDA-HXUWFJFHSA-N 2 0 345.531 3.232 20 0 EGADRP c1cncc(Cc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)c1 ZINC001210267543 1372310356 /nfs/dbraw/zinc/31/03/56/1372310356.db2.gz ILSGHWRCGIDNGX-UHFFFAOYSA-N 2 0 345.450 3.221 20 0 EGADRP CC(=O)c1cc(Cl)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267215 1372310539 /nfs/dbraw/zinc/31/05/39/1372310539.db2.gz WUFFTKWAWKKXRX-UHFFFAOYSA-N 2 0 330.819 3.091 20 0 EGADRP CC(C)(C)Oc1cccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210270152 1372311715 /nfs/dbraw/zinc/31/17/15/1372311715.db2.gz CKOASJJCZXOKKO-UHFFFAOYSA-N 2 0 326.444 3.412 20 0 EGADRP CC(=O)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1Cl ZINC001210270362 1372312309 /nfs/dbraw/zinc/31/23/09/1372312309.db2.gz ANJGXCQUNPSHEI-UHFFFAOYSA-N 2 0 330.819 3.091 20 0 EGADRP C[NH+]1CCN(c2ccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC001210708713 1372411173 /nfs/dbraw/zinc/41/11/73/1372411173.db2.gz PJILUBGEWCBGML-FQEVSTJZSA-N 2 0 340.515 3.383 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001210796748 1372428002 /nfs/dbraw/zinc/42/80/02/1372428002.db2.gz JIPVYKPSGJHUEB-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210797874 1372428526 /nfs/dbraw/zinc/42/85/26/1372428526.db2.gz XOAAINXHNDZDQV-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(Nc3cccc(C[NH2+]C)c3)cc2)CC1 ZINC001211137478 1372489377 /nfs/dbraw/zinc/48/93/77/1372489377.db2.gz ZDFUAWPNTFOUOK-UHFFFAOYSA-N 2 0 338.499 3.287 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211234360 1372508740 /nfs/dbraw/zinc/50/87/40/1372508740.db2.gz YIIIVVZYHQXUHB-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211256512 1372513450 /nfs/dbraw/zinc/51/34/50/1372513450.db2.gz HXQHTUUSRXWNHN-KAGICYHLSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261922 1372514982 /nfs/dbraw/zinc/51/49/82/1372514982.db2.gz HARMLERTYDQHLL-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001211262309 1372514987 /nfs/dbraw/zinc/51/49/87/1372514987.db2.gz NYWJRBUNRIGMMM-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343748 1372536656 /nfs/dbraw/zinc/53/66/56/1372536656.db2.gz KDAUXRHCLSXINB-ASIGSXEYSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC001211367335 1372541648 /nfs/dbraw/zinc/54/16/48/1372541648.db2.gz QJUIZLRBQRSSQH-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444392 1372560108 /nfs/dbraw/zinc/56/01/08/1372560108.db2.gz XYOLPBJKGLAKHC-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1c(F)ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c1Cl ZINC001212335530 1372689443 /nfs/dbraw/zinc/68/94/43/1372689443.db2.gz CXBZUHVIKIPGJD-HNNXBMFYSA-N 2 0 326.803 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214780086 1373117759 /nfs/dbraw/zinc/11/77/59/1373117759.db2.gz KAJBUZMESHAEBS-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001215027367 1373159061 /nfs/dbraw/zinc/15/90/61/1373159061.db2.gz QHDBKFIHVISOFY-VKRNSVOSSA-N 2 0 340.471 3.049 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(Nc2c[nH+]ccc2N2CCOCC2)cc1 ZINC001215745093 1373235298 /nfs/dbraw/zinc/23/52/98/1373235298.db2.gz QJZISTQTZQCUPA-UHFFFAOYSA-N 2 0 340.471 3.407 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774366 1373236227 /nfs/dbraw/zinc/23/62/27/1373236227.db2.gz NETJNQJBYMDPFV-IWOQZAADSA-N 2 0 335.536 3.042 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)c1F ZINC001216222764 1373284611 /nfs/dbraw/zinc/28/46/11/1373284611.db2.gz VEJBQXMJIICFQT-UHFFFAOYSA-N 2 0 346.425 3.180 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001216323544 1373300405 /nfs/dbraw/zinc/30/04/05/1373300405.db2.gz GLEFUABPZIBEDX-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846379 1373350514 /nfs/dbraw/zinc/35/05/14/1373350514.db2.gz AIDOJVAJNKNPKC-ODWICZQRSA-N 2 0 349.563 3.290 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC(C)C)C2)o1 ZINC001216954480 1373370873 /nfs/dbraw/zinc/37/08/73/1373370873.db2.gz WAXQZNLUWDICKW-SJLPKXTDSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980805 1373375051 /nfs/dbraw/zinc/37/50/51/1373375051.db2.gz PVHDKPDATNEHNE-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429913 1373382962 /nfs/dbraw/zinc/38/29/62/1373382962.db2.gz MQAMNWWFBXJFIW-PXNSSMCTSA-N 2 0 343.515 3.169 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129428932 1373382990 /nfs/dbraw/zinc/38/29/90/1373382990.db2.gz BJXAZRKPZAEAIO-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001130187420 1373471369 /nfs/dbraw/zinc/47/13/69/1373471369.db2.gz UVFUGHBYDIZWKC-PMACEKPBSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)C[C@@H](C[NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217730455 1373496259 /nfs/dbraw/zinc/49/62/59/1373496259.db2.gz NMMJNOVMKNXMKE-SJORKVTESA-N 2 0 328.460 3.148 20 0 EGADRP C[C@@H]1C[NH2+]CC[C@@H]1OC[C@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217917314 1373511920 /nfs/dbraw/zinc/51/19/20/1373511920.db2.gz VUVZGZPIGDAGOA-LMNJBCLMSA-N 2 0 346.515 3.071 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130655959 1373576436 /nfs/dbraw/zinc/57/64/36/1373576436.db2.gz BSBRDSTWBCGFNA-HNNXBMFYSA-N 2 0 336.439 3.032 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)C1CC[NH2+]CC1 ZINC001326664242 1388271757 /nfs/dbraw/zinc/27/17/57/1388271757.db2.gz NJLADLLLOYVORM-MRXNPFEDSA-N 2 0 329.488 3.247 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cncc(-c2ccccc2)c1 ZINC001218670486 1373642442 /nfs/dbraw/zinc/64/24/42/1373642442.db2.gz JOCOOUHOEANSEW-IBGZPJMESA-N 2 0 340.471 3.183 20 0 EGADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)cc(C(F)(F)F)c1 ZINC001218897907 1373666057 /nfs/dbraw/zinc/66/60/57/1373666057.db2.gz PETKPEHCGOMPDK-HNNXBMFYSA-N 2 0 345.409 3.448 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001188246347 1388275070 /nfs/dbraw/zinc/27/50/70/1388275070.db2.gz JEIJEODEHGOXNW-GBESFXJTSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972432 1373672920 /nfs/dbraw/zinc/67/29/20/1373672920.db2.gz OHMYMRMUQFVYBS-IBGZPJMESA-N 2 0 341.430 3.062 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccccc1-c1ccc(Cl)cn1 ZINC001219400468 1373706848 /nfs/dbraw/zinc/70/68/48/1373706848.db2.gz OFJJTXNSBBRHCP-AWEZNQCLSA-N 2 0 346.862 3.187 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001219486793 1373711774 /nfs/dbraw/zinc/71/17/74/1373711774.db2.gz SDEZWHYSYAYGLO-VAMGGRTRSA-N 2 0 341.499 3.096 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC001219994118 1373744418 /nfs/dbraw/zinc/74/44/18/1373744418.db2.gz CWZOBZJOGAUWHQ-MKYAEOHRSA-N 2 0 349.563 3.347 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001221972654 1373810949 /nfs/dbraw/zinc/81/09/49/1373810949.db2.gz CRXWDCWCFFRMPQ-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CC2CCC(C)(C)CC2)CCCC1 ZINC001131840175 1373833349 /nfs/dbraw/zinc/83/33/49/1373833349.db2.gz BNSIVKLIDKTLTP-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346805 1388293963 /nfs/dbraw/zinc/29/39/63/1388293963.db2.gz WTLJMDDXBKINLO-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001188346673 1388294261 /nfs/dbraw/zinc/29/42/61/1388294261.db2.gz VDQVZCHTSRVOFS-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCC3=CCCCC3)[C@H]2C1 ZINC001223846394 1375044723 /nfs/dbraw/zinc/04/47/23/1375044723.db2.gz HWOVNBYTLCHMJI-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](C[C@H](F)CC)CC1 ZINC001224883531 1375082484 /nfs/dbraw/zinc/08/24/84/1375082484.db2.gz DEYRNHGZMZBAKC-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132041380 1375112840 /nfs/dbraw/zinc/11/28/40/1375112840.db2.gz CXNRIKTXCUSYHU-QZTJIDSGSA-N 2 0 337.552 3.410 20 0 EGADRP CCCCC[NH+]1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001225551043 1375122989 /nfs/dbraw/zinc/12/29/89/1375122989.db2.gz FTWOJPYWJDMLMN-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001225557290 1375123883 /nfs/dbraw/zinc/12/38/83/1375123883.db2.gz KHSNDQUPIVNAPX-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001225577307 1375126435 /nfs/dbraw/zinc/12/64/35/1375126435.db2.gz CZOATCVVIMXPFD-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)CC[C@@H]2C)cs1 ZINC001132106190 1375151242 /nfs/dbraw/zinc/15/12/42/1375151242.db2.gz QXRHBOSYNZDJIQ-YOEHRIQHSA-N 2 0 349.544 3.010 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132157655 1375176423 /nfs/dbraw/zinc/17/64/23/1375176423.db2.gz RVXQZPOLATXALT-AEFFLSMTSA-N 2 0 342.487 3.497 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001226268118 1375231160 /nfs/dbraw/zinc/23/11/60/1375231160.db2.gz YTJQYLYBRUKYFY-DFQSSKMNSA-N 2 0 349.563 3.458 20 0 EGADRP CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC001226324162 1375240227 /nfs/dbraw/zinc/24/02/27/1375240227.db2.gz YUSZULFTHZZYHO-RCCFBDPRSA-N 2 0 346.519 3.380 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265579 1375254418 /nfs/dbraw/zinc/25/44/18/1375254418.db2.gz PAZBNXXRWRRUTN-WAQVGJNASA-N 2 0 335.536 3.044 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132264880 1375254653 /nfs/dbraw/zinc/25/46/53/1375254653.db2.gz DEUZGHVRRLOEKW-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311472 1375290615 /nfs/dbraw/zinc/29/06/15/1375290615.db2.gz URFDLTMGOHZICM-AEFFLSMTSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132376701 1375339124 /nfs/dbraw/zinc/33/91/24/1375339124.db2.gz PKYXJVAJESFQIA-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccccc1C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410835 1375360086 /nfs/dbraw/zinc/36/00/86/1375360086.db2.gz OWVIZDGYFZOTIH-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132432600 1375378361 /nfs/dbraw/zinc/37/83/61/1375378361.db2.gz FDLZSOUTMKIRLZ-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132434511 1375378715 /nfs/dbraw/zinc/37/87/15/1375378715.db2.gz XYKVODRVQXKWOQ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1=CCCCC1 ZINC001132517406 1375436334 /nfs/dbraw/zinc/43/63/34/1375436334.db2.gz CATLTMLDJKBTAV-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCC1CCCC1 ZINC001132519189 1375436664 /nfs/dbraw/zinc/43/66/64/1375436664.db2.gz UWUWVEYWKKBQJV-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)cc1C ZINC001132519330 1375436935 /nfs/dbraw/zinc/43/69/35/1375436935.db2.gz WUYFXSCYOWOZRT-QUCCMNQESA-N 2 0 345.531 3.113 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132522464 1375439315 /nfs/dbraw/zinc/43/93/15/1375439315.db2.gz PEDIZGSCRNGPBQ-XLIONFOSSA-N 2 0 345.531 3.058 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548803 1375455851 /nfs/dbraw/zinc/45/58/51/1375455851.db2.gz JGSPYFHJPXCQMS-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227791727 1375474896 /nfs/dbraw/zinc/47/48/96/1375474896.db2.gz GBUGHBGNVOTHTM-XQQSMPNESA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228205649 1375527660 /nfs/dbraw/zinc/52/76/60/1375527660.db2.gz BGFIOXJARMBFRF-DJIMGWMZSA-N 2 0 335.492 3.018 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228647780 1375626584 /nfs/dbraw/zinc/62/65/84/1375626584.db2.gz ZDIVSAWOXPYRLX-AQNXPRMDSA-N 2 0 345.531 3.106 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973679 1375688557 /nfs/dbraw/zinc/68/85/57/1375688557.db2.gz PFTBEGFKYYVSEU-FUHWJXTLSA-N 2 0 342.487 3.212 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001228904688 1375711233 /nfs/dbraw/zinc/71/12/33/1375711233.db2.gz UBEAPLHPKIIYEN-GOSISDBHSA-N 2 0 345.531 3.287 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001228932493 1375720240 /nfs/dbraw/zinc/72/02/40/1375720240.db2.gz OKKVLBAKXHPYIE-NYQZOWANSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122720 1375787190 /nfs/dbraw/zinc/78/71/90/1375787190.db2.gz UQQGMDDYYAEYLO-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001229230530 1375791034 /nfs/dbraw/zinc/79/10/34/1375791034.db2.gz JAFCTUVGBUCNDT-RTBURBONSA-N 2 0 335.536 3.236 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133178829 1375825792 /nfs/dbraw/zinc/82/57/92/1375825792.db2.gz XWZULXZPGPOJSU-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(C)c1 ZINC001229525221 1375851763 /nfs/dbraw/zinc/85/17/63/1375851763.db2.gz YOZVBPUGISFNEP-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133224821 1375852981 /nfs/dbraw/zinc/85/29/81/1375852981.db2.gz FCRZORNOVBHIEC-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP Cc1nccn1CCCC(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001229616878 1375864971 /nfs/dbraw/zinc/86/49/71/1375864971.db2.gz VJKGSVADYFAHDP-KRWDZBQOSA-N 2 0 348.535 3.235 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133263416 1375879833 /nfs/dbraw/zinc/87/98/33/1375879833.db2.gz UZKCBQHGGAGWBQ-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001229877741 1375909657 /nfs/dbraw/zinc/90/96/57/1375909657.db2.gz ZJUBLGLUEPTXEQ-KFKAGJAMSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229985913 1375924821 /nfs/dbraw/zinc/92/48/21/1375924821.db2.gz XXEDLWXHVPYCTG-UTKZUKDTSA-N 2 0 345.531 3.090 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133333621 1375929375 /nfs/dbraw/zinc/92/93/75/1375929375.db2.gz JVWDTWRSGJJHTH-WOJBJXKFSA-N 2 0 349.563 3.293 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C/Cl)c1 ZINC001230248133 1375976708 /nfs/dbraw/zinc/97/67/08/1375976708.db2.gz VSAAMQJVXITQBE-OEQDPHDDSA-N 2 0 349.906 3.131 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001230274789 1375980860 /nfs/dbraw/zinc/98/08/60/1375980860.db2.gz LJYQFJFJAIYSFA-KZNAEPCWSA-N 2 0 341.515 3.018 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230538553 1376062551 /nfs/dbraw/zinc/06/25/51/1376062551.db2.gz VVHXZJBLWTYKNG-UNQUKWGNSA-N 2 0 347.547 3.140 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611080 1376101051 /nfs/dbraw/zinc/10/10/51/1376101051.db2.gz LOMRJDLJOCYLBP-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628467 1376106038 /nfs/dbraw/zinc/10/60/38/1376106038.db2.gz ICHWQZDVZXRWEO-HKUYNNGSSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188970039 1388423597 /nfs/dbraw/zinc/42/35/97/1388423597.db2.gz FHBXHQNGKZHCCT-SLFFLAALSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1sc2ccccc2c1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001231644557 1376291046 /nfs/dbraw/zinc/29/10/46/1376291046.db2.gz YHVVVDVIBFCDFE-RBUKOAKNSA-N 2 0 343.540 3.420 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])C2CCCCC2)cc1 ZINC001327196803 1388437635 /nfs/dbraw/zinc/43/76/35/1388437635.db2.gz WWDCHARWCWAGLI-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP C[C@@]1(c2ccc(F)cc2)CN(Cc2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001232015398 1376383920 /nfs/dbraw/zinc/38/39/20/1376383920.db2.gz GLYZBVXTECFAGW-IBGZPJMESA-N 2 0 325.387 3.450 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014850 1376384192 /nfs/dbraw/zinc/38/41/92/1376384192.db2.gz VASFCZQYVHKBPO-HNNXBMFYSA-N 2 0 330.432 3.052 20 0 EGADRP Cc1cc(Br)cnc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001232051158 1376390906 /nfs/dbraw/zinc/39/09/06/1376390906.db2.gz ZIWZMVLVYGLTSJ-UHFFFAOYSA-N 2 0 338.293 3.070 20 0 EGADRP Cc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(C)n1 ZINC001232082293 1376397149 /nfs/dbraw/zinc/39/71/49/1376397149.db2.gz YQELWIYHNDZEII-UHFFFAOYSA-N 2 0 331.504 3.023 20 0 EGADRP Cc1ccc(OC(C)C)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001232398601 1376456655 /nfs/dbraw/zinc/45/66/55/1376456655.db2.gz JBHPNBGXFYCMBH-UHFFFAOYSA-N 2 0 349.563 3.488 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001134584740 1376607943 /nfs/dbraw/zinc/60/79/43/1376607943.db2.gz WPKNRHZXWZOQCQ-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001134773151 1376714203 /nfs/dbraw/zinc/71/42/03/1376714203.db2.gz MFGWNEXADFEUOV-UONOGXRCSA-N 2 0 339.549 3.160 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001134773180 1376714351 /nfs/dbraw/zinc/71/43/51/1376714351.db2.gz NAJHSLXDYPIKMH-SJORKVTESA-N 2 0 333.520 3.098 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134792148 1376725966 /nfs/dbraw/zinc/72/59/66/1376725966.db2.gz ZAUYLRQUFWHIMR-HZPDHXFCSA-N 2 0 325.541 3.312 20 0 EGADRP Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCF)ccc2c[nH+]cn21 ZINC001134808909 1376737296 /nfs/dbraw/zinc/73/72/96/1376737296.db2.gz MVGBSTWDMXNZOU-HUUCEWRRSA-N 2 0 348.466 3.269 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134887641 1376768277 /nfs/dbraw/zinc/76/82/77/1376768277.db2.gz DPXGOEXPJZFCHU-HOTGVXAUSA-N 2 0 336.439 3.021 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125294 1376854965 /nfs/dbraw/zinc/85/49/65/1376854965.db2.gz OMEKHMQGCWPVMQ-SFTDATJTSA-N 2 0 327.516 3.259 20 0 EGADRP COc1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(-c2ccccc2)cn1 ZINC001235338164 1376867948 /nfs/dbraw/zinc/86/79/48/1376867948.db2.gz CHKSEIIWTUYNAG-UHFFFAOYSA-N 2 0 337.467 3.189 20 0 EGADRP c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429173 1376869763 /nfs/dbraw/zinc/86/97/63/1376869763.db2.gz PVCRXVWNOVUHFO-OALUTQOASA-N 2 0 327.516 3.498 20 0 EGADRP Brc1ccoc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427731 1376871077 /nfs/dbraw/zinc/87/10/77/1376871077.db2.gz NAUSVEUGKKBDMH-STQMWFEESA-N 2 0 327.266 3.254 20 0 EGADRP COc1ccc2[nH]cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431107 1376872137 /nfs/dbraw/zinc/87/21/37/1376872137.db2.gz UQILFCRQBGJZDJ-CVEARBPZSA-N 2 0 327.472 3.388 20 0 EGADRP Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)n1 ZINC001235430636 1376872485 /nfs/dbraw/zinc/87/24/85/1376872485.db2.gz KDOOIYJQIIAISD-PMACEKPBSA-N 2 0 338.499 3.299 20 0 EGADRP CC(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077360 1376882390 /nfs/dbraw/zinc/88/23/90/1376882390.db2.gz NVHOWTCLTUPXMA-DLBZAZTESA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077361 1376883062 /nfs/dbraw/zinc/88/30/62/1376883062.db2.gz NVHOWTCLTUPXMA-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP Clc1ccc([C@H]2C[NH2+]CCN2Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001235814981 1376897931 /nfs/dbraw/zinc/89/79/31/1376897931.db2.gz NWVRYUHVSKRTSF-QGZVFWFLSA-N 2 0 347.915 3.194 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102318 1376900171 /nfs/dbraw/zinc/90/01/71/1376900171.db2.gz YNMCILVDNMIUGA-ROUUACIJSA-N 2 0 347.547 3.467 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102814 1376900984 /nfs/dbraw/zinc/90/09/84/1376900984.db2.gz OIJYYEVGMGTCAV-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236254114 1376945764 /nfs/dbraw/zinc/94/57/64/1376945764.db2.gz UNAUXZYUTOXMAI-QHCPKHFHSA-N 2 0 349.522 3.429 20 0 EGADRP CN(CCC[NH+](C)C)Cc1cccc2cc(Br)cnc21 ZINC001237140793 1376976285 /nfs/dbraw/zinc/97/62/85/1376976285.db2.gz QIKLCTFDERMVKQ-UHFFFAOYSA-N 2 0 336.277 3.381 20 0 EGADRP Cc1ccc(CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135315083 1377033537 /nfs/dbraw/zinc/03/35/37/1377033537.db2.gz LDIXBBKQMHYLTE-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(CC3CC3)CC[NH2+]CC2)cc1 ZINC001246380958 1377051705 /nfs/dbraw/zinc/05/17/05/1377051705.db2.gz LGOIMMNLFAFBQJ-INIZCTEOSA-N 2 0 344.499 3.306 20 0 EGADRP Fc1ccc(N2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)cc1 ZINC001246542663 1377052033 /nfs/dbraw/zinc/05/20/33/1377052033.db2.gz WVDCTVXTRQEUIB-UHFFFAOYSA-N 2 0 331.479 3.260 20 0 EGADRP C[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246543529 1377052727 /nfs/dbraw/zinc/05/27/27/1377052727.db2.gz ZMIGJOYNPZVOGK-NYLDSWQDSA-N 2 0 327.516 3.115 20 0 EGADRP CCCC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246749139 1377054521 /nfs/dbraw/zinc/05/45/21/1377054521.db2.gz VIFRBOWKESETNH-MXSMSXNCSA-N 2 0 347.528 3.239 20 0 EGADRP c1ccc(CN2CC3(C2)CCC[N@@H+](C2CCC4(C[NH2+]C4)CC2)C3)cc1 ZINC001246939244 1377055856 /nfs/dbraw/zinc/05/58/56/1377055856.db2.gz RFTIPGFGMHGLEE-UHFFFAOYSA-N 2 0 339.527 3.117 20 0 EGADRP Fc1ccc(CN([C@H]2CCC[NH2+]C2)[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001246938789 1377055867 /nfs/dbraw/zinc/05/58/67/1377055867.db2.gz UBGWJFCBWNQNKL-OALUTQOASA-N 2 0 331.479 3.054 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001135373092 1377060201 /nfs/dbraw/zinc/06/02/01/1377060201.db2.gz UMWOPNCITNQTRQ-IRXDYDNUSA-N 2 0 333.520 3.135 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001135440570 1377098623 /nfs/dbraw/zinc/09/86/23/1377098623.db2.gz ODDFMGUNUKOPJX-LJQANCHMSA-N 2 0 333.520 3.356 20 0 EGADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H](O)C(C)C)CC3)c1 ZINC001253759455 1377099917 /nfs/dbraw/zinc/09/99/17/1377099917.db2.gz BDLPTNGWMHYCID-FQEVSTJZSA-N 2 0 346.515 3.000 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001254509348 1377105713 /nfs/dbraw/zinc/10/57/13/1377105713.db2.gz ZSHKFIRGGDMRAQ-SJORKVTESA-N 2 0 337.305 3.380 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468068 1377107623 /nfs/dbraw/zinc/10/76/23/1377107623.db2.gz LXRJCEYBYRFCDF-DLBZAZTESA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475661 1377110102 /nfs/dbraw/zinc/11/01/02/1377110102.db2.gz DNWOWHSBIDOPQN-QZTJIDSGSA-N 2 0 347.547 3.080 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476192 1377111002 /nfs/dbraw/zinc/11/10/02/1377111002.db2.gz JFMIYGWXCAPALF-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768318 1377206260 /nfs/dbraw/zinc/20/62/60/1377206260.db2.gz NZBLTTCGGJHYRZ-ZWKOTPCHSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001135768943 1377206683 /nfs/dbraw/zinc/20/66/83/1377206683.db2.gz VCRYXEPKFMLRBQ-RBUKOAKNSA-N 2 0 345.531 3.100 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135861935 1377238740 /nfs/dbraw/zinc/23/87/40/1377238740.db2.gz ZGMVORFQTFANII-LZZACLKFSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266232928 1377238886 /nfs/dbraw/zinc/23/88/86/1377238886.db2.gz DEDUHUJMXKLWGR-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135900703 1377255105 /nfs/dbraw/zinc/25/51/05/1377255105.db2.gz AEUQONDYUOFVFL-WIJVFFIESA-N 2 0 349.563 3.338 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938035 1377269803 /nfs/dbraw/zinc/26/98/03/1377269803.db2.gz CUSMKBRHKVXXAC-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CCC1CCCC1 ZINC001135977289 1377284517 /nfs/dbraw/zinc/28/45/17/1377284517.db2.gz RRLAPRAOHPDABS-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135975964 1377284605 /nfs/dbraw/zinc/28/46/05/1377284605.db2.gz FTSLZVCDDVODKR-CHWSQXEVSA-N 2 0 345.940 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1CC ZINC001135978976 1377284838 /nfs/dbraw/zinc/28/48/38/1377284838.db2.gz AGOOXONWJLRLKR-QZTJIDSGSA-N 2 0 347.547 3.006 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135978980 1377285057 /nfs/dbraw/zinc/28/50/57/1377285057.db2.gz AHIQTXMMHTZHJM-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC)cc1 ZINC001135980999 1377285651 /nfs/dbraw/zinc/28/56/51/1377285651.db2.gz VYUXXEIFJDJTTD-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001135995993 1377292114 /nfs/dbraw/zinc/29/21/14/1377292114.db2.gz PENXELNBNBIXLS-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1ccsc1 ZINC001136215244 1377365258 /nfs/dbraw/zinc/36/52/58/1377365258.db2.gz CFQYBUBMOBUCJE-ZWKOTPCHSA-N 2 0 349.544 3.264 20 0 EGADRP Cc1ccc2ccccc2c1C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C ZINC001266968642 1377404443 /nfs/dbraw/zinc/40/44/43/1377404443.db2.gz XWTHRVDQLYSWOP-QGZVFWFLSA-N 2 0 341.499 3.084 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001267089896 1377411631 /nfs/dbraw/zinc/41/16/31/1377411631.db2.gz GSJYORJHHGAXPC-UXHICEINSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267823802 1377473037 /nfs/dbraw/zinc/47/30/37/1377473037.db2.gz PTXWUJCCHONATG-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)c(C)c1 ZINC001268212294 1377495994 /nfs/dbraw/zinc/49/59/94/1377495994.db2.gz KNSBMNLDORAKGO-IBGZPJMESA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC001137208743 1377497024 /nfs/dbraw/zinc/49/70/24/1377497024.db2.gz LIBYUYXBEHQQQG-RTBURBONSA-N 2 0 345.531 3.278 20 0 EGADRP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4c[nH]c5ncccc45)C[C@@H]3C2)cc1 ZINC001137398998 1377540894 /nfs/dbraw/zinc/54/08/94/1377540894.db2.gz HCVYNXQKNCKCAP-BGYRXZFFSA-N 2 0 346.478 3.435 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001138094662 1377676013 /nfs/dbraw/zinc/67/60/13/1377676013.db2.gz REDZKRQNLOQGPG-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP Cn1c2ccccc2nc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001138378892 1377712373 /nfs/dbraw/zinc/71/23/73/1377712373.db2.gz GPMRIKKPXWMPIU-UHFFFAOYSA-N 2 0 326.488 3.127 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ncccc3O)C[C@@H]21 ZINC001138393770 1377715656 /nfs/dbraw/zinc/71/56/56/1377715656.db2.gz UKDJKDFSQAPSEV-WFXMLNOXSA-N 2 0 337.467 3.398 20 0 EGADRP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)c1C ZINC001138723503 1377773988 /nfs/dbraw/zinc/77/39/88/1377773988.db2.gz RDFZXXFSDJZNBY-UHFFFAOYSA-N 2 0 325.456 3.338 20 0 EGADRP C[NH+](C)CCN1CC[NH+](Cc2cccc(-c3ccc(F)cc3)c2)CC1 ZINC001139065739 1377823781 /nfs/dbraw/zinc/82/37/81/1377823781.db2.gz PSOSBKDWVFGMMU-UHFFFAOYSA-N 2 0 341.474 3.172 20 0 EGADRP CN(C)C1=NOC2(C1)CC[NH+](Cc1cc(Cl)cnc1Cl)CC2 ZINC001139353182 1377872659 /nfs/dbraw/zinc/87/26/59/1377872659.db2.gz YJWBVXGXJGLYND-UHFFFAOYSA-N 2 0 343.258 3.018 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cccnn3)C[C@H]21 ZINC001139972441 1377985494 /nfs/dbraw/zinc/98/54/94/1377985494.db2.gz OKSYMIGSYWSDSQ-KFKAGJAMSA-N 2 0 342.512 3.271 20 0 EGADRP Cc1nccn1-c1ccccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001140027599 1377992480 /nfs/dbraw/zinc/99/24/80/1377992480.db2.gz RMWPXHPJHMOAMZ-UHFFFAOYSA-N 2 0 338.499 3.489 20 0 EGADRP COc1c(Cl)cccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001140067917 1378000152 /nfs/dbraw/zinc/00/01/52/1378000152.db2.gz SUIMMEYIIPRQIJ-UHFFFAOYSA-N 2 0 341.927 3.054 20 0 EGADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001140413498 1378058943 /nfs/dbraw/zinc/05/89/43/1378058943.db2.gz ZRTYNJBQTDJTOH-LJQANCHMSA-N 2 0 342.874 3.325 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3cnc(-c4cccc(F)c4)s3)C2)CC1 ZINC001140421407 1378060732 /nfs/dbraw/zinc/06/07/32/1378060732.db2.gz UXUNSEWPDJMOHH-UHFFFAOYSA-N 2 0 331.460 3.477 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001273166689 1378090449 /nfs/dbraw/zinc/09/04/49/1378090449.db2.gz RSIFIFLQILPJOE-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@@H+](Cc1ccc(CO)o1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140683332 1378113643 /nfs/dbraw/zinc/11/36/43/1378113643.db2.gz WVYWWZMLYJWBKO-UHFFFAOYSA-N 2 0 328.456 3.116 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721508 1378152601 /nfs/dbraw/zinc/15/26/01/1378152601.db2.gz IJBNCISQKPXRPQ-HXUWFJFHSA-N 2 0 338.455 3.187 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4c(N)cccc4F)C[C@H]3C2)cc1 ZINC001140874072 1378164562 /nfs/dbraw/zinc/16/45/62/1378164562.db2.gz YFZQLGDPQWHJFT-HDICACEKSA-N 2 0 339.458 3.280 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC001140968798 1378196589 /nfs/dbraw/zinc/19/65/89/1378196589.db2.gz QVQRAQCAQIUTOZ-FQEVSTJZSA-N 2 0 335.495 3.428 20 0 EGADRP COc1ccccc1C[N@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973642 1378198240 /nfs/dbraw/zinc/19/82/40/1378198240.db2.gz NFNWWRHVKPIJSC-UHFFFAOYSA-N 2 0 339.483 3.079 20 0 EGADRP Cc1ccc(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c(F)c1 ZINC001141192457 1378263893 /nfs/dbraw/zinc/26/38/93/1378263893.db2.gz MNAWXJZSMOWCNN-HXUWFJFHSA-N 2 0 334.479 3.457 20 0 EGADRP Clc1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)nn1 ZINC001142071012 1378410493 /nfs/dbraw/zinc/41/04/93/1378410493.db2.gz PNXGNYIHUFNSRY-UHFFFAOYSA-N 2 0 346.862 3.211 20 0 EGADRP CCOC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001142594890 1378462956 /nfs/dbraw/zinc/46/29/56/1378462956.db2.gz CXNUVKZIMIGDQT-UHFFFAOYSA-N 2 0 332.488 3.416 20 0 EGADRP c1[nH]nc2cccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c12 ZINC001143094989 1378538460 /nfs/dbraw/zinc/53/84/60/1378538460.db2.gz DFBHQEKGFNLIQW-OALUTQOASA-N 2 0 332.451 3.127 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c(N)n1 ZINC001143200541 1378558123 /nfs/dbraw/zinc/55/81/23/1378558123.db2.gz DDQYNSQPYANGFG-UHFFFAOYSA-N 2 0 340.471 3.053 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)CC(C)C ZINC001144190008 1378695626 /nfs/dbraw/zinc/69/56/26/1378695626.db2.gz PYKSGTHVXLITQZ-XDNAFOTISA-N 2 0 325.541 3.120 20 0 EGADRP CCc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)c1 ZINC001144326722 1378717335 /nfs/dbraw/zinc/71/73/35/1378717335.db2.gz PJOLXPXYVLPYRW-IBGZPJMESA-N 2 0 344.499 3.098 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC/C=C/c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001146399065 1378835422 /nfs/dbraw/zinc/83/54/22/1378835422.db2.gz UHXFLZIMCSGVPV-XYXPKAHQSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146534452 1378862338 /nfs/dbraw/zinc/86/23/38/1378862338.db2.gz JKQVQPURIHSXRV-ROUUACIJSA-N 2 0 335.536 3.236 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535291 1378862601 /nfs/dbraw/zinc/86/26/01/1378862601.db2.gz LWGQMLQEPPBKJU-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146580842 1378870992 /nfs/dbraw/zinc/87/09/92/1378870992.db2.gz AQWRILVYMGJVME-DLBZAZTESA-N 2 0 333.520 3.425 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CCC1 ZINC001146583058 1378871086 /nfs/dbraw/zinc/87/10/86/1378871086.db2.gz IYHMQAHDKRFUBU-CVEARBPZSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583114 1378871280 /nfs/dbraw/zinc/87/12/80/1378871280.db2.gz JJGSYFYTFDLNBU-HOTGVXAUSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001146593890 1378872848 /nfs/dbraw/zinc/87/28/48/1378872848.db2.gz RCLPMNLOWZTTRD-CABCVRRESA-N 2 0 347.494 3.025 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+]1CCCC1)[NH2+]CCCCCF ZINC001146698920 1378899448 /nfs/dbraw/zinc/89/94/48/1378899448.db2.gz AHHBYILZQACHGJ-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(C)C)o1 ZINC001146698972 1378899557 /nfs/dbraw/zinc/89/95/57/1378899557.db2.gz AZIQACIKMXSKMJ-HOTGVXAUSA-N 2 0 337.508 3.264 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001147450090 1379022873 /nfs/dbraw/zinc/02/28/73/1379022873.db2.gz YPDYAWKWOUZDLY-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001147450047 1379023228 /nfs/dbraw/zinc/02/32/28/1379023228.db2.gz WQBMUKYVORZBEZ-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717565 1379065872 /nfs/dbraw/zinc/06/58/72/1379065872.db2.gz ZRXXHQLNMKRDHG-UEKDZROGSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)[NH+](CC)CC ZINC001148284757 1379145131 /nfs/dbraw/zinc/14/51/31/1379145131.db2.gz CLZMZHGZPIZHPW-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605753 1379224116 /nfs/dbraw/zinc/22/41/16/1379224116.db2.gz UDXWEMRWUGERNN-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001283904220 1379250465 /nfs/dbraw/zinc/25/04/65/1379250465.db2.gz DZHZAYNJQWJEDW-QFBILLFUSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148842843 1379282279 /nfs/dbraw/zinc/28/22/79/1379282279.db2.gz CZXAYBKWTXOGNP-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CN1C(=O)CCC[NH+](C)C ZINC001284006291 1379357028 /nfs/dbraw/zinc/35/70/28/1379357028.db2.gz ZEPXCRJOEXYSHN-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001284214045 1379603474 /nfs/dbraw/zinc/60/34/74/1379603474.db2.gz ZXMGIYHQUPLHJU-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391558 1379925832 /nfs/dbraw/zinc/92/58/32/1379925832.db2.gz CQIROLOORHIKOV-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001284642239 1380048125 /nfs/dbraw/zinc/04/81/25/1380048125.db2.gz MQSNEFZUSHDZQJ-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362218 1380064974 /nfs/dbraw/zinc/06/49/74/1380064974.db2.gz KXBDMGKTWBZQMF-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C)c1 ZINC001153720502 1380118816 /nfs/dbraw/zinc/11/88/16/1380118816.db2.gz GRRDDKYZNZNYCY-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819092 1380136057 /nfs/dbraw/zinc/13/60/57/1380136057.db2.gz NDIRZKWVUKBGBR-QZTJIDSGSA-N 2 0 343.531 3.216 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819003 1380136130 /nfs/dbraw/zinc/13/61/30/1380136130.db2.gz JWFKOCIZKBAQBI-JCMVTEASSA-N 2 0 337.552 3.432 20 0 EGADRP CCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001153827884 1380138197 /nfs/dbraw/zinc/13/81/97/1380138197.db2.gz AIARQRGLXAEYCD-QGZVFWFLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879933 1380149020 /nfs/dbraw/zinc/14/90/20/1380149020.db2.gz PHHOJURUKWQJHA-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCCC1)[NH+](C)C ZINC001154000472 1380175165 /nfs/dbraw/zinc/17/51/65/1380175165.db2.gz DCMMQUTXRZGYMX-SJLPKXTDSA-N 2 0 325.541 3.124 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455099 1380280629 /nfs/dbraw/zinc/28/06/29/1380280629.db2.gz FNKTZHDRDUAFHE-HTJOGQSXSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC001154825546 1380359197 /nfs/dbraw/zinc/35/91/97/1380359197.db2.gz RMOJCSVHQJUEIJ-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844766 1380363505 /nfs/dbraw/zinc/36/35/05/1380363505.db2.gz YWROBIGJMPZOSO-SCTDSRPQSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249978 1380428953 /nfs/dbraw/zinc/42/89/53/1380428953.db2.gz XJJYWXINRVJOPU-GOSISDBHSA-N 2 0 347.547 3.421 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254876 1380429233 /nfs/dbraw/zinc/42/92/33/1380429233.db2.gz HMSJREJIWYYMKQ-QZTJIDSGSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255240 1380429364 /nfs/dbraw/zinc/42/93/64/1380429364.db2.gz OMPSOKKERKDXSO-RBUKOAKNSA-N 2 0 347.547 3.034 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263675 1380430060 /nfs/dbraw/zinc/43/00/60/1380430060.db2.gz WIGLIXBOCCZMGE-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283389 1380433291 /nfs/dbraw/zinc/43/32/91/1380433291.db2.gz QUQMQMSIXLSCSA-QGZVFWFLSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1Cl)[NH+](C)C ZINC001155289427 1380433952 /nfs/dbraw/zinc/43/39/52/1380433952.db2.gz RTTULZOFQNWEKF-PBHICJAKSA-N 2 0 339.911 3.007 20 0 EGADRP COc1ccc2c[nH+]c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)cc2c1 ZINC001155458565 1380456107 /nfs/dbraw/zinc/45/61/07/1380456107.db2.gz IWFUSLMXMGGTGF-OAHLLOKOSA-N 2 0 336.439 3.267 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155620520 1380474744 /nfs/dbraw/zinc/47/47/44/1380474744.db2.gz KJDAVHVGQTXBDR-MSOLQXFVSA-N 2 0 325.541 3.266 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621096 1380474878 /nfs/dbraw/zinc/47/48/78/1380474878.db2.gz MZSKRKXOTHFLOZ-TYFAACHXSA-N 2 0 337.552 3.432 20 0 EGADRP CO[C@@H](C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1)c1ccccc1 ZINC001155705438 1380485387 /nfs/dbraw/zinc/48/53/87/1380485387.db2.gz GFUNREGKNCTPRE-IBGZPJMESA-N 2 0 336.439 3.073 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883697 1380502431 /nfs/dbraw/zinc/50/24/31/1380502431.db2.gz BUDBPPJZDBAIEB-QZTJIDSGSA-N 2 0 327.557 3.370 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCC1)C(C)C ZINC001155884063 1380502487 /nfs/dbraw/zinc/50/24/87/1380502487.db2.gz ZPIDIRJTKRPQAX-IEBWSBKVSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001155997494 1380511973 /nfs/dbraw/zinc/51/19/73/1380511973.db2.gz CXLDOQHYHXUCAQ-RTBURBONSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC001157050309 1380760737 /nfs/dbraw/zinc/76/07/37/1380760737.db2.gz RAZXJTSHVOURDH-GOSISDBHSA-N 2 0 348.560 3.479 20 0 EGADRP Cc1c[nH+]c(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)cc1N ZINC001157074824 1380768525 /nfs/dbraw/zinc/76/85/25/1380768525.db2.gz SXTDKJXGHWKVTD-UHFFFAOYSA-N 2 0 328.435 3.212 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098448 1380775146 /nfs/dbraw/zinc/77/51/46/1380775146.db2.gz GOUHLFRSRMUVMS-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109931 1380778889 /nfs/dbraw/zinc/77/88/89/1380778889.db2.gz WGCJQHUXYNJXCZ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437766 1381246161 /nfs/dbraw/zinc/24/61/61/1381246161.db2.gz BYKICPCJFPSZCT-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC001158617010 1381324080 /nfs/dbraw/zinc/32/40/80/1381324080.db2.gz XWEAHDMGDSYJCP-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158749823 1381381141 /nfs/dbraw/zinc/38/11/41/1381381141.db2.gz APOFRFXTLAUEFF-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)C1 ZINC001158781349 1381396693 /nfs/dbraw/zinc/39/66/93/1381396693.db2.gz NSGZEKIFQAOYGO-CTWPCTMYSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158857296 1381437412 /nfs/dbraw/zinc/43/74/12/1381437412.db2.gz ZLZDEZRFDQJDEF-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc2ncccc2c1 ZINC001328355677 1388728907 /nfs/dbraw/zinc/72/89/07/1388728907.db2.gz JPSSOISRRAAFJW-UHFFFAOYSA-N 2 0 329.363 3.376 20 0 EGADRP CCC[N@H+](Cc1sc(N2CCCCC2)nc1C)C1CC[NH2+]CC1 ZINC001328401101 1388737441 /nfs/dbraw/zinc/73/74/41/1388737441.db2.gz RQZJVNUBMPUQNV-UHFFFAOYSA-N 2 0 336.549 3.406 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001159171654 1381713509 /nfs/dbraw/zinc/71/35/09/1381713509.db2.gz REUHLIYEGAWORO-UHFFFAOYSA-N 2 0 349.544 3.100 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccnc2OC2CC[NH2+]CC2)c1 ZINC001159241777 1381741501 /nfs/dbraw/zinc/74/15/01/1381741501.db2.gz GLFJMGQASXKJJM-UHFFFAOYSA-N 2 0 326.444 3.018 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cccnc2OCC2CC[NH2+]CC2)c1F ZINC001159295964 1381756045 /nfs/dbraw/zinc/75/60/45/1381756045.db2.gz ZGKYJBLGOMGDIX-UHFFFAOYSA-N 2 0 344.434 3.062 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001159334273 1381767756 /nfs/dbraw/zinc/76/77/56/1381767756.db2.gz BNVOIZGFFBCHKX-MJGOQNOKSA-N 2 0 331.504 3.026 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2cccc3c2CC[NH2+]C3)cc1 ZINC001159436006 1381793461 /nfs/dbraw/zinc/79/34/61/1381793461.db2.gz RLRJIRHZBWQJSY-UHFFFAOYSA-N 2 0 325.456 3.406 20 0 EGADRP Cc1ccnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001159460364 1381799949 /nfs/dbraw/zinc/79/99/49/1381799949.db2.gz STCTYLIDGBGMJW-UHFFFAOYSA-N 2 0 334.467 3.300 20 0 EGADRP C[NH+]1CCN(Cc2cccc(Nc3ccc(C(C)(C)[NH3+])cc3)c2)CC1 ZINC001159662001 1381862871 /nfs/dbraw/zinc/86/28/71/1381862871.db2.gz NSXJFOWWCBOBLV-UHFFFAOYSA-N 2 0 338.499 3.371 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC001159787650 1381899756 /nfs/dbraw/zinc/89/97/56/1381899756.db2.gz ARTYFLRUICLQMG-GFCCVEGCSA-N 2 0 344.221 3.025 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001159902223 1381932715 /nfs/dbraw/zinc/93/27/15/1381932715.db2.gz VBCLVBBVUGZZCD-HXUWFJFHSA-N 2 0 345.531 3.162 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159908254 1381934751 /nfs/dbraw/zinc/93/47/51/1381934751.db2.gz HSTWBEAKAOIPEU-PXPVJAHISA-N 2 0 335.536 3.236 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159917472 1381936573 /nfs/dbraw/zinc/93/65/73/1381936573.db2.gz XAUTXTHVZNTMDR-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nccc(C4CC[NH2+]CC4)n3)c2c1 ZINC001160011444 1381966443 /nfs/dbraw/zinc/96/64/43/1381966443.db2.gz HZFWOKRKHFWMMV-OAHLLOKOSA-N 2 0 349.482 3.086 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)c1 ZINC001160164006 1382022560 /nfs/dbraw/zinc/02/25/60/1382022560.db2.gz QAAIAEYQPDUDAK-QGZVFWFLSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+]1CCC(COc2c(F)cccc2NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001160187777 1382028380 /nfs/dbraw/zinc/02/83/80/1382028380.db2.gz UUJLMPGTMNVRJH-CVEARBPZSA-N 2 0 345.462 3.366 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353440 1382080900 /nfs/dbraw/zinc/08/09/00/1382080900.db2.gz VAKQQEZHJNHDSQ-FQEVSTJZSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160360660 1382081907 /nfs/dbraw/zinc/08/19/07/1382081907.db2.gz UJJTXCJMUGMRLC-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP c1cc2c(c(Nc3cccc(C[NH+]4CCCC4)c3)c1)[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160394250 1382092633 /nfs/dbraw/zinc/09/26/33/1382092633.db2.gz GLTBIFFPPABAPD-PXNSSMCTSA-N 2 0 335.451 3.474 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](Cc2csc(C)c2)CC1)[NH+](C)C ZINC001160478854 1382118414 /nfs/dbraw/zinc/11/84/14/1382118414.db2.gz BKOWZFZSQZOCEC-GOSISDBHSA-N 2 0 349.544 3.035 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCCc3cc(F)cc(F)c3)c2)CC1 ZINC001160575210 1382146039 /nfs/dbraw/zinc/14/60/39/1382146039.db2.gz TUTXYLAZRDZNTC-UHFFFAOYSA-N 2 0 347.409 3.487 20 0 EGADRP Cc1c[nH+]c(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])cc1N ZINC001160636377 1382157183 /nfs/dbraw/zinc/15/71/83/1382157183.db2.gz WCYWUNBCVRTCMG-UJKMTWAASA-N 2 0 342.446 3.371 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC001328510353 1388768326 /nfs/dbraw/zinc/76/83/26/1388768326.db2.gz UXLRBCRWXAUARY-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccc(Cl)nc1C(F)(F)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160950734 1382248640 /nfs/dbraw/zinc/24/86/40/1382248640.db2.gz QQKGGVJRNLSVKC-UHFFFAOYSA-N 2 0 336.773 3.492 20 0 EGADRP CCc1cc2c(nc(Cl)nc2-n2cc(CC[NH3+])c3c[nH+]ccc32)[nH]1 ZINC001160950724 1382249296 /nfs/dbraw/zinc/24/92/96/1382249296.db2.gz QOAGEJOAROZWLS-UHFFFAOYSA-N 2 0 340.818 3.014 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161030362 1382278129 /nfs/dbraw/zinc/27/81/29/1382278129.db2.gz ZVNPEZDUXMMIIS-SREVYHEPSA-N 2 0 335.536 3.213 20 0 EGADRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001161090197 1382295122 /nfs/dbraw/zinc/29/51/22/1382295122.db2.gz QXULCFFIKABMQL-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CCC(C)(C)CC2)CC1 ZINC001161089743 1382295243 /nfs/dbraw/zinc/29/52/43/1382295243.db2.gz NBAMBRIYIYWIPG-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1)[NH+](C)C ZINC001161133789 1382313965 /nfs/dbraw/zinc/31/39/65/1382313965.db2.gz QPHGJUTZOXIOQB-LJQANCHMSA-N 2 0 349.563 3.147 20 0 EGADRP CC[N@H+](CCC1CC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001328572680 1388777543 /nfs/dbraw/zinc/77/75/43/1388777543.db2.gz BABQTEFQEOBLKD-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](CCC1CC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001328572682 1388777671 /nfs/dbraw/zinc/77/76/71/1388777671.db2.gz BABQTEFQEOBLKD-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC)c1ccc(F)cc1 ZINC001161227004 1382348563 /nfs/dbraw/zinc/34/85/63/1382348563.db2.gz SSIZMOVMIIYFPF-KRWDZBQOSA-N 2 0 337.483 3.103 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001161504720 1382425713 /nfs/dbraw/zinc/42/57/13/1382425713.db2.gz QNEVELZPKKHRTG-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001161644801 1382468154 /nfs/dbraw/zinc/46/81/54/1382468154.db2.gz STPGVSVTPPZSDY-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](Cc2ccccc2)CC1 ZINC001161749995 1382494795 /nfs/dbraw/zinc/49/47/95/1382494795.db2.gz RMNSWUXAQWBWPL-UHFFFAOYSA-N 2 0 343.515 3.057 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161899436 1382544013 /nfs/dbraw/zinc/54/40/13/1382544013.db2.gz YAEZFYMQZKQABC-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952260 1382567129 /nfs/dbraw/zinc/56/71/29/1382567129.db2.gz FBFGWMPVHMHTBQ-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952263 1382567484 /nfs/dbraw/zinc/56/74/84/1382567484.db2.gz FDKQUBCLDGNNDL-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952660 1382569862 /nfs/dbraw/zinc/56/98/62/1382569862.db2.gz ICDUDGMXABHABU-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nc(Cl)cc2c(Cl)ccnc21 ZINC001162290429 1382722876 /nfs/dbraw/zinc/72/28/76/1382722876.db2.gz UAAUWHBLDKVVOR-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001162396926 1382747310 /nfs/dbraw/zinc/74/73/10/1382747310.db2.gz PTEWINGYDPGYJD-BFYDXBDKSA-N 2 0 327.476 3.033 20 0 EGADRP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162460778 1382763350 /nfs/dbraw/zinc/76/33/50/1382763350.db2.gz KGHVQYNZKGVNGJ-ZFWWWQNUSA-N 2 0 332.492 3.422 20 0 EGADRP CN(C)c1cccc(NCCCP(CCC[NH3+])c2ccccc2)[nH+]1 ZINC001162464045 1382763972 /nfs/dbraw/zinc/76/39/72/1382763972.db2.gz KBBDOKIVNXYCEQ-UHFFFAOYSA-N 2 0 344.443 3.106 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(NC[C@@]3(F)CCCC[NH2+]C3)c(C)c2)CC1 ZINC001162580678 1382797882 /nfs/dbraw/zinc/79/78/82/1382797882.db2.gz WFMDDGRXGWJPFY-HXUWFJFHSA-N 2 0 346.494 3.393 20 0 EGADRP Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)n1 ZINC001162904309 1382911209 /nfs/dbraw/zinc/91/12/09/1382911209.db2.gz VNXQBJXVIGUWTH-CXAGYDPISA-N 2 0 335.455 3.216 20 0 EGADRP [NH3+]C1CCN(c2cccc(N[C@H]3CCc4c3c(F)ccc4F)[nH+]2)CC1 ZINC001162932402 1382920149 /nfs/dbraw/zinc/92/01/49/1382920149.db2.gz PIMKPMBXYPUWSQ-INIZCTEOSA-N 2 0 344.409 3.387 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(OC)c2ccc(Cl)cc21 ZINC001163125689 1382970699 /nfs/dbraw/zinc/97/06/99/1382970699.db2.gz HEUICQWQVRVADA-UHFFFAOYSA-N 2 0 349.866 3.175 20 0 EGADRP COc1ccc2[nH+]c(C)cc(N[C@@H]3C[NH2+]Cc4ccsc43)c2c1 ZINC001163231236 1383001540 /nfs/dbraw/zinc/00/15/40/1383001540.db2.gz WFRLTWKJDBYMAE-QGZVFWFLSA-N 2 0 325.437 3.292 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCC(C)(C)C)CCCCC1 ZINC001163242991 1383003350 /nfs/dbraw/zinc/00/33/50/1383003350.db2.gz RSCZSOHIFPRWCQ-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163274658 1383010816 /nfs/dbraw/zinc/01/08/16/1383010816.db2.gz BHZAHUBSCOFLKX-AATRIKPKSA-N 2 0 337.552 3.483 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]CC1CC2(CCC2)C1)C1CCCCC1 ZINC001163275098 1383010888 /nfs/dbraw/zinc/01/08/88/1383010888.db2.gz QBLIRHPTBHYKKU-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1F ZINC001163289895 1383013134 /nfs/dbraw/zinc/01/31/34/1383013134.db2.gz GNCXJXRCVDBKQY-OXJNMPFZSA-N 2 0 349.494 3.238 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CC2CCCCCC2)CCCC1 ZINC001163290469 1383013235 /nfs/dbraw/zinc/01/32/35/1383013235.db2.gz IGWVPKBBJPRKSQ-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC1(C)CC(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001164501140 1383193926 /nfs/dbraw/zinc/19/39/26/1383193926.db2.gz TVWFUMHRXRFAFG-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164501231 1383193989 /nfs/dbraw/zinc/19/39/89/1383193989.db2.gz WSOMRWCGSOGSOE-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)nc2)cc1 ZINC001165213112 1383249720 /nfs/dbraw/zinc/24/97/20/1383249720.db2.gz HHGBZDRCRBHGSU-IBGZPJMESA-N 2 0 340.471 3.408 20 0 EGADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1)C1CCC1 ZINC001165501100 1383303854 /nfs/dbraw/zinc/30/38/54/1383303854.db2.gz AFUWYTJDNYOJFH-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CCCc1ccccc1C)[NH+](CC)CC ZINC001166448417 1383423522 /nfs/dbraw/zinc/42/35/22/1383423522.db2.gz SRZGNXFXQLSKIK-FQEVSTJZSA-N 2 0 347.547 3.144 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC/C=C/c1ccccc1)[NH+](CC)CC ZINC001166448535 1383423608 /nfs/dbraw/zinc/42/36/08/1383423608.db2.gz VLLNDOXNICLHEP-XIJQHFHMSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)Cc1ccc([C@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+](C)C)cc1 ZINC001298898768 1383442920 /nfs/dbraw/zinc/44/29/20/1383442920.db2.gz LVBUWPWJRQPJPP-IBGZPJMESA-N 2 0 347.547 3.382 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001166736477 1383468128 /nfs/dbraw/zinc/46/81/28/1383468128.db2.gz NEGSNCBXNRFWMT-ROUUACIJSA-N 2 0 337.552 3.031 20 0 EGADRP CN(C)c1cc[nH+]c(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)c1 ZINC001166911382 1383499151 /nfs/dbraw/zinc/49/91/51/1383499151.db2.gz ZFJWDKVSPLHQHW-UHFFFAOYSA-N 2 0 339.270 3.420 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167180152 1383559667 /nfs/dbraw/zinc/55/96/67/1383559667.db2.gz VWXLKVONAHXSDS-HJCTWCACSA-N 2 0 337.552 3.339 20 0 EGADRP CC[NH+](CC)Cc1cccc(-n2ccc3cc(C[NH3+])cnc32)c1F ZINC001167316062 1383594581 /nfs/dbraw/zinc/59/45/81/1383594581.db2.gz CFLPAXGTKIVEFS-UHFFFAOYSA-N 2 0 326.419 3.465 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385406 1383619175 /nfs/dbraw/zinc/61/91/75/1383619175.db2.gz BNEKSBMOLFNWBF-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001167426742 1383630809 /nfs/dbraw/zinc/63/08/09/1383630809.db2.gz YEDUVAFGDZTPFB-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]C[C@H](C)CC)CC1 ZINC001167470917 1383642527 /nfs/dbraw/zinc/64/25/27/1383642527.db2.gz IVZURRBUIPLVSF-GOSISDBHSA-N 2 0 339.568 3.421 20 0 EGADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001167478828 1383645994 /nfs/dbraw/zinc/64/59/94/1383645994.db2.gz YXKWTQGMLKRADK-OAQYLSRUSA-N 3 0 329.532 3.446 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001167480581 1383646699 /nfs/dbraw/zinc/64/66/99/1383646699.db2.gz MDSQZQRCBKPBFM-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]Cc1ccc(CF)cc1)[NH+]1CCCCCC1 ZINC001167609320 1383688592 /nfs/dbraw/zinc/68/85/92/1383688592.db2.gz NDWVFPHSMHTFRE-KRWDZBQOSA-N 2 0 349.494 3.017 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001167628145 1383693479 /nfs/dbraw/zinc/69/34/79/1383693479.db2.gz WOAJULRDPYKINK-IBGZPJMESA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)(C)OC(=O)C1(Nc2ccc(C3([NH3+])CC3)cc2)CCC([NH3+])CC1 ZINC001167643295 1383696539 /nfs/dbraw/zinc/69/65/39/1383696539.db2.gz XDVUQPYNJCSCOE-UHFFFAOYSA-N 2 0 345.487 3.028 20 0 EGADRP CCCC[NH+](CCCC)CCNc1cc[nH+]c(N2CCOCC2)c1 ZINC001167732675 1383724677 /nfs/dbraw/zinc/72/46/77/1383724677.db2.gz ADBAZKPHHZGFLE-UHFFFAOYSA-N 2 0 334.508 3.232 20 0 EGADRP COc1cc2[nH+]ccc(NCCC[N@@H+]3CCCC[C@H]3C)c2cc1OC ZINC001167753225 1383731954 /nfs/dbraw/zinc/73/19/54/1383731954.db2.gz MPZJCIBUAAGKGV-OAHLLOKOSA-N 2 0 343.471 3.350 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001167823767 1383749720 /nfs/dbraw/zinc/74/97/20/1383749720.db2.gz FICNHHTXSPIYQF-IHPCNDPISA-N 2 0 338.536 3.157 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC001167827900 1383751202 /nfs/dbraw/zinc/75/12/02/1383751202.db2.gz ZFGWQCKLWVCKNJ-QGZVFWFLSA-N 2 0 349.494 3.094 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(N2Cc3ccccc3NC2=O)C1 ZINC001167833686 1383753254 /nfs/dbraw/zinc/75/32/54/1383753254.db2.gz DEMRHLHFIRMUQE-MRXNPFEDSA-N 2 0 344.503 3.229 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001167836627 1383754976 /nfs/dbraw/zinc/75/49/76/1383754976.db2.gz GDOIESRMEJYSJA-UYAOXDASSA-N 3 0 339.568 3.072 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001167840658 1383756197 /nfs/dbraw/zinc/75/61/97/1383756197.db2.gz GYYHMGNMEIFHCH-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC001167842785 1383756916 /nfs/dbraw/zinc/75/69/16/1383756916.db2.gz YRDGCTLCQJSNLR-MRXNPFEDSA-N 2 0 332.488 3.342 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001167842911 1383757167 /nfs/dbraw/zinc/75/71/67/1383757167.db2.gz ZPEVLBNXQMEFIS-RXVVDRJESA-N 2 0 329.532 3.412 20 0 EGADRP [NH3+]C1(CC2CCC2)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167974842 1383784646 /nfs/dbraw/zinc/78/46/46/1383784646.db2.gz BMUPLTXMFGHFLR-YOFSQIOKSA-N 2 0 331.548 3.375 20 0 EGADRP CCOC(=O)CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167988606 1383788646 /nfs/dbraw/zinc/78/86/46/1383788646.db2.gz RJVHJILBLLNCIS-DFNIBXOVSA-N 2 0 334.504 3.057 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2(C)OCCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018584 1383798283 /nfs/dbraw/zinc/79/82/83/1383798283.db2.gz ZZXDCQPXGGMEBD-IZZQQSIFSA-N 2 0 332.488 3.171 20 0 EGADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168031828 1383800499 /nfs/dbraw/zinc/80/04/99/1383800499.db2.gz FFQIRLVYOPRASY-HNJRGHQBSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC([NH+](C)C)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168038919 1383801997 /nfs/dbraw/zinc/80/19/97/1383801997.db2.gz AEQZHGFUMHKSTJ-RMFSNUHRSA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056267 1383805670 /nfs/dbraw/zinc/80/56/70/1383805670.db2.gz FBEHEKFKKUXVSP-OPVJXMOQSA-N 2 0 327.516 3.066 20 0 EGADRP CCOC(=O)[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056805 1383805764 /nfs/dbraw/zinc/80/57/64/1383805764.db2.gz IRRRZGSTSZRXQI-HNJRGHQBSA-N 2 0 344.499 3.313 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168297822 1383866542 /nfs/dbraw/zinc/86/65/42/1383866542.db2.gz YFRGBNGIEMRNOI-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2COc3cc(Br)ccc32)CC1 ZINC001168305888 1383868342 /nfs/dbraw/zinc/86/83/42/1383868342.db2.gz SGLCOTAXZTVECX-SSDMNJCBSA-N 2 0 339.277 3.345 20 0 EGADRP C[NH+](C)C1CCC([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168306125 1383868444 /nfs/dbraw/zinc/86/84/44/1383868444.db2.gz RHUGXQJSOYNXMX-OFVLBHHSSA-N 3 0 330.520 3.026 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(OCC3CCOCC3)cc2)CC1 ZINC001168306303 1383869528 /nfs/dbraw/zinc/86/95/28/1383869528.db2.gz VVAHGRCSVRMLQI-UHFFFAOYSA-N 2 0 346.515 3.454 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168324915 1383873502 /nfs/dbraw/zinc/87/35/02/1383873502.db2.gz ZUZVMKFRRMYKBZ-KLAILNCOSA-N 2 0 339.524 3.048 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001168331088 1383875211 /nfs/dbraw/zinc/87/52/11/1383875211.db2.gz YREKCYZQSHXWME-XEVCZEQESA-N 2 0 344.499 3.315 20 0 EGADRP C[C@]12CC3(O)CC([NH2+]C4CC[NH+](CC5CC5)CC4)(C1)C[C@@](C)(C3)C2 ZINC001168357470 1383881759 /nfs/dbraw/zinc/88/17/59/1383881759.db2.gz BALPMMVVGNTVEB-WHSGIHJSSA-N 2 0 332.532 3.314 20 0 EGADRP C1=CC[C@H](C[NH+]2CCC(NC3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001168371982 1383887526 /nfs/dbraw/zinc/88/75/26/1383887526.db2.gz RECMADRRPDEVDH-SFHVURJKSA-N 2 0 331.548 3.271 20 0 EGADRP COc1ccccc1[C@@H](O)C[N@H+](C(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168387313 1383891736 /nfs/dbraw/zinc/89/17/36/1383891736.db2.gz CMWLQLBMWTUPNJ-FQEVSTJZSA-N 2 0 346.515 3.313 20 0 EGADRP C[NH+](C)Cc1c[nH]c2nccc(N3C[C@@H](CC[NH3+])c4ccccc43)c12 ZINC001168550424 1383934820 /nfs/dbraw/zinc/93/48/20/1383934820.db2.gz ZEIWJVAQFVSJKT-CQSZACIVSA-N 2 0 335.455 3.209 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1cccc(CC)c1 ZINC001168596353 1383944315 /nfs/dbraw/zinc/94/43/15/1383944315.db2.gz UBWGSVFLOOYRFK-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001168595583 1383944837 /nfs/dbraw/zinc/94/48/37/1383944837.db2.gz LFJRWLIMXUIXRU-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccccc3C[NH3+])CCO2)cc1 ZINC001168609160 1383947790 /nfs/dbraw/zinc/94/77/90/1383947790.db2.gz MVSQIJBAMMYKTF-UYAOXDASSA-N 2 0 326.440 3.164 20 0 EGADRP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001168709511 1383976488 /nfs/dbraw/zinc/97/64/88/1383976488.db2.gz SWKBOWIXPXFBGU-ULQDDVLXSA-N 2 0 334.891 3.040 20 0 EGADRP [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ccc2c(c1)C[NH2+]C2 ZINC001168995697 1384081842 /nfs/dbraw/zinc/08/18/42/1384081842.db2.gz LREPNRJWYFYXHQ-UHFFFAOYSA-N 2 0 326.831 3.173 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC3(CC(NC(=O)OC(C)(C)C)C3)C1)C2 ZINC001169090230 1384105434 /nfs/dbraw/zinc/10/54/34/1384105434.db2.gz IVBFRBKJRBLCPV-YBQGTDIDSA-N 2 0 349.519 3.037 20 0 EGADRP CCn1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC001308207575 1384109223 /nfs/dbraw/zinc/10/92/23/1384109223.db2.gz FRVKTUFMGHHPRB-KRWDZBQOSA-N 2 0 326.488 3.392 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001169118054 1384109365 /nfs/dbraw/zinc/10/93/65/1384109365.db2.gz CMUMPAVQDDLAKY-OWZKRDHZSA-N 2 0 346.490 3.380 20 0 EGADRP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001169124907 1384110349 /nfs/dbraw/zinc/11/03/49/1384110349.db2.gz GQVFRIFIDIUVAJ-LXDWIVHCSA-N 2 0 327.516 3.206 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3scnc3C)CC2)cc1 ZINC001308230613 1384111325 /nfs/dbraw/zinc/11/13/25/1384111325.db2.gz MCAZJTLBZXESCG-UHFFFAOYSA-N 2 0 345.512 3.462 20 0 EGADRP CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144591 1384114071 /nfs/dbraw/zinc/11/40/71/1384114071.db2.gz KDCFGPDVQGVACF-PLACYPQZSA-N 2 0 327.516 3.208 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001169153650 1384116400 /nfs/dbraw/zinc/11/64/00/1384116400.db2.gz KQGAQHSRWXDOHR-YXIAPDDASA-N 2 0 339.527 3.066 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc(C2([NH3+])CC2)cc1 ZINC001169174884 1384119354 /nfs/dbraw/zinc/11/93/54/1384119354.db2.gz XQYZKBIXIXINSI-UHFFFAOYSA-N 2 0 335.451 3.397 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccccc2Cl)C1 ZINC001308368147 1384122586 /nfs/dbraw/zinc/12/25/86/1384122586.db2.gz PXOZAMISHKVNMW-GOSISDBHSA-N 2 0 330.859 3.196 20 0 EGADRP CC[NH+]1CCC(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)CC1 ZINC001169262380 1384129116 /nfs/dbraw/zinc/12/91/16/1384129116.db2.gz ZXUYCETYXOHBQD-UHFFFAOYSA-N 2 0 337.511 3.442 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC001308859819 1384155383 /nfs/dbraw/zinc/15/53/83/1384155383.db2.gz NKEJVRCNVMOGJK-KRWDZBQOSA-N 2 0 335.923 3.488 20 0 EGADRP FC(F)(F)c1cnc(NCC[C@H]2CCC[NH2+]2)c(C2=CC[NH2+]CC2)c1 ZINC001169564223 1384160087 /nfs/dbraw/zinc/16/00/87/1384160087.db2.gz LOAABFIXSLVUTJ-CQSZACIVSA-N 2 0 340.393 3.031 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2COc3c(F)cc(F)cc3C2)CC1 ZINC001308976387 1384163457 /nfs/dbraw/zinc/16/34/57/1384163457.db2.gz FJTYFQDCTGQDQA-QGZVFWFLSA-N 2 0 338.442 3.368 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(N2CCOCC2)cc[nH+]1 ZINC001169683911 1384173640 /nfs/dbraw/zinc/17/36/40/1384173640.db2.gz FQSYHMGDYQVKON-SFHVURJKSA-N 2 0 338.455 3.158 20 0 EGADRP C[NH+](C)CCC(C)(C)Nc1[nH+]c(N2CCOCC2)cc2ccccc21 ZINC001169715444 1384177350 /nfs/dbraw/zinc/17/73/50/1384177350.db2.gz AAISZHCSPYDAKJ-UHFFFAOYSA-N 2 0 342.487 3.214 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169811111 1384188069 /nfs/dbraw/zinc/18/80/69/1384188069.db2.gz TYPWEJJCEHBWQA-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H]1CC([NH2+]CCCC[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170462590 1384325613 /nfs/dbraw/zinc/32/56/13/1384325613.db2.gz DQVVEORSFGUABR-HOTGVXAUSA-N 2 0 327.513 3.272 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170474338 1384326780 /nfs/dbraw/zinc/32/67/80/1384326780.db2.gz HQWTXQMQHNXWNS-YHUYYLMFSA-N 2 0 327.513 3.128 20 0 EGADRP CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001170481894 1384327247 /nfs/dbraw/zinc/32/72/47/1384327247.db2.gz XTKXBZRFYAEWDB-TZIWHRDSSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001170741354 1384376017 /nfs/dbraw/zinc/37/60/17/1384376017.db2.gz DWVMHGIDNPZZKK-UYAOXDASSA-N 2 0 345.531 3.324 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769174 1384382517 /nfs/dbraw/zinc/38/25/17/1384382517.db2.gz DZFIREJRPDBBHY-IRXDYDNUSA-N 2 0 343.531 3.264 20 0 EGADRP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCOCC2)c1 ZINC001170800505 1384388022 /nfs/dbraw/zinc/38/80/22/1384388022.db2.gz DBCGSNKOTPROFR-FHWLQOOXSA-N 2 0 332.488 3.336 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170845540 1384397334 /nfs/dbraw/zinc/39/73/34/1384397334.db2.gz RSWWACWHLSWCFA-KRWDZBQOSA-N 2 0 337.305 3.238 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862901 1384401023 /nfs/dbraw/zinc/40/10/23/1384401023.db2.gz PYXMOLVBFXDEGX-KZNAEPCWSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]CCCC1CCC1)c1ccccc1 ZINC001170867761 1384401220 /nfs/dbraw/zinc/40/12/20/1384401220.db2.gz MFQQZITYRDQUGM-HXUWFJFHSA-N 2 0 345.531 3.356 20 0 EGADRP CC/C=C/CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170868164 1384401473 /nfs/dbraw/zinc/40/14/73/1384401473.db2.gz PWIXMZVPCZXYNM-GHOSXJJBSA-N 2 0 331.504 3.132 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171033236 1384433212 /nfs/dbraw/zinc/43/32/12/1384433212.db2.gz LPSSWTYFIUJLJZ-SFHVURJKSA-N 2 0 349.950 3.157 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)c1sccc1C[NH+](C)C ZINC001171069338 1384440726 /nfs/dbraw/zinc/44/07/26/1384440726.db2.gz PVUKFEAGEKVMNS-CQSZACIVSA-N 2 0 337.533 3.098 20 0 EGADRP [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc([C@@H]4CCC[NH2+]4)cn3)c2C1 ZINC001171091268 1384444191 /nfs/dbraw/zinc/44/41/91/1384444191.db2.gz RAPIXJBYVKOWRK-YJBOKZPZSA-N 2 0 332.451 3.266 20 0 EGADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(C)c4c(n3)CC[NH2+]C4)c2c1 ZINC001171166420 1384458963 /nfs/dbraw/zinc/45/89/63/1384458963.db2.gz VRCNMMFVPATJJL-OAHLLOKOSA-N 2 0 334.467 3.178 20 0 EGADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171172515 1384459817 /nfs/dbraw/zinc/45/98/17/1384459817.db2.gz OVEXRWDMOBXZDA-ZNMIVQPWSA-N 2 0 325.283 3.344 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC001316601713 1384468283 /nfs/dbraw/zinc/46/82/83/1384468283.db2.gz IEKCBOYSANQTGO-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246034 1384477551 /nfs/dbraw/zinc/47/75/51/1384477551.db2.gz DIPAIGRRAQWKQO-WMZOPIPTSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248202 1384478198 /nfs/dbraw/zinc/47/81/98/1384478198.db2.gz QVVBBHUPLQMHSB-MAUKXSAKSA-N 2 0 337.552 3.027 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254325 1384479694 /nfs/dbraw/zinc/47/96/94/1384479694.db2.gz RAJYIMSRAOKQQJ-INIZCTEOSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260283 1384481077 /nfs/dbraw/zinc/48/10/77/1384481077.db2.gz HFMKYHWQEVROPI-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171317023 1384493343 /nfs/dbraw/zinc/49/33/43/1384493343.db2.gz CTIGKWGGHIYHTC-ICSRJNTNSA-N 2 0 345.531 3.326 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330821 1384496204 /nfs/dbraw/zinc/49/62/04/1384496204.db2.gz VIOFDZFBLFRSQU-PKOBYXMFSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001171359764 1384502016 /nfs/dbraw/zinc/50/20/16/1384502016.db2.gz UUBQVQVRMNPDPJ-WBVHZDCISA-N 2 0 339.549 3.099 20 0 EGADRP C[N@@H+]1CCCC[C@H]1c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])nc1 ZINC001171399246 1384512406 /nfs/dbraw/zinc/51/24/06/1384512406.db2.gz GTRVMHCWTQPIIL-SJORKVTESA-N 2 0 338.455 3.096 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171545295 1384558946 /nfs/dbraw/zinc/55/89/46/1384558946.db2.gz DHCOVJXQQNOEOI-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171547488 1384559267 /nfs/dbraw/zinc/55/92/67/1384559267.db2.gz SKNZSLWYZYILTC-MJGOQNOKSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)C2 ZINC001171557495 1384561798 /nfs/dbraw/zinc/56/17/98/1384561798.db2.gz UBQGJYPLLAXKDZ-WMZOPIPTSA-N 2 0 347.503 3.032 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001171579189 1384570498 /nfs/dbraw/zinc/57/04/98/1384570498.db2.gz OYNCUKWWUJTZLR-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001171586822 1384573243 /nfs/dbraw/zinc/57/32/43/1384573243.db2.gz UDZKOWYJIRIEMR-QGZVFWFLSA-N 2 0 337.552 3.482 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001171616833 1384581094 /nfs/dbraw/zinc/58/10/94/1384581094.db2.gz XKDFYBJGWHKLSZ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP COc1cccnc1C1(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171627369 1384585022 /nfs/dbraw/zinc/58/50/22/1384585022.db2.gz REBGYHLACHBVGJ-UHFFFAOYSA-N 2 0 331.504 3.363 20 0 EGADRP Cc1cccnc1O[C@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641901 1384589578 /nfs/dbraw/zinc/58/95/78/1384589578.db2.gz VNUHMVSARRCLRQ-KRWDZBQOSA-N 2 0 331.504 3.495 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171645826 1384591026 /nfs/dbraw/zinc/59/10/26/1384591026.db2.gz CKJQMPIRWIYDRZ-OALUTQOASA-N 2 0 337.552 3.338 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674656 1384598297 /nfs/dbraw/zinc/59/82/97/1384598297.db2.gz PZGWRYDSJUWSDG-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674836 1384598994 /nfs/dbraw/zinc/59/89/94/1384598994.db2.gz SVCYIFNEUSFKAP-QGZVFWFLSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001171732085 1384618261 /nfs/dbraw/zinc/61/82/61/1384618261.db2.gz UNTQUGLMXCDCDW-GOSISDBHSA-N 2 0 333.520 3.192 20 0 EGADRP C[C@@H]1C[C@H](N(CC[NH3+])c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171739215 1384620883 /nfs/dbraw/zinc/62/08/83/1384620883.db2.gz PLLASLHDHLPAOO-UZLBHIALSA-N 2 0 327.447 3.254 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001171763324 1384628400 /nfs/dbraw/zinc/62/84/00/1384628400.db2.gz ZCDFLNKUBLLNSG-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@@H]1C[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001171765270 1384629701 /nfs/dbraw/zinc/62/97/01/1384629701.db2.gz XNGZNAPDCLUCST-NRSPTQNISA-N 2 0 327.516 3.210 20 0 EGADRP C[NH+](C)CCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867106 1384665838 /nfs/dbraw/zinc/66/58/38/1384665838.db2.gz UCZVQEASDYSSHA-LJQANCHMSA-N 2 0 331.504 3.003 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929064 1384685688 /nfs/dbraw/zinc/68/56/88/1384685688.db2.gz DJTYALMJSHGOHG-IRXDYDNUSA-N 2 0 343.531 3.264 20 0 EGADRP CCOC(CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC001171966349 1384697330 /nfs/dbraw/zinc/69/73/30/1384697330.db2.gz KMTMCNCDIJFGAV-GOSISDBHSA-N 2 0 334.504 3.418 20 0 EGADRP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171964326 1384697661 /nfs/dbraw/zinc/69/76/61/1384697661.db2.gz MOBNSGNLGLYHFI-AWEZNQCLSA-N 2 0 344.421 3.466 20 0 EGADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC001171972504 1384699697 /nfs/dbraw/zinc/69/96/97/1384699697.db2.gz QJJRJZAOHJHHLN-SFHVURJKSA-N 2 0 325.456 3.320 20 0 EGADRP COC(=O)C1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974121 1384700638 /nfs/dbraw/zinc/70/06/38/1384700638.db2.gz BTKGMOKRVLDJIE-ACBHZAAOSA-N 2 0 344.499 3.218 20 0 EGADRP C[N@@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC001171989151 1384705618 /nfs/dbraw/zinc/70/56/18/1384705618.db2.gz YWMXBMXWNODAHJ-IBGZPJMESA-N 2 0 329.532 3.456 20 0 EGADRP CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171989137 1384706057 /nfs/dbraw/zinc/70/60/57/1384706057.db2.gz YOYUOZHWNSXUOH-FQEVSTJZSA-N 2 0 329.532 3.457 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001335806664 1388940231 /nfs/dbraw/zinc/94/02/31/1388940231.db2.gz NVJYPEOPHJBRQP-ACBHZAAOSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102222 1384726710 /nfs/dbraw/zinc/72/67/10/1384726710.db2.gz LAGLPUKAQUHZJA-XSDIEEQYSA-N 2 0 327.516 3.113 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172104227 1384726769 /nfs/dbraw/zinc/72/67/69/1384726769.db2.gz AYBPCWKYTBCMGI-WKCHPHFGSA-N 2 0 345.506 3.395 20 0 EGADRP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107028 1384728016 /nfs/dbraw/zinc/72/80/16/1384728016.db2.gz SLGTZTWQOKLMGF-OSYLJGHBSA-N 2 0 326.488 3.111 20 0 EGADRP Cc1c(CC[NH3+])c2cc(O)ccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115105 1384731461 /nfs/dbraw/zinc/73/14/61/1384731461.db2.gz UMEGPKJMIZOPJX-MUJYYYPQSA-N 2 0 327.472 3.344 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001172117668 1384732351 /nfs/dbraw/zinc/73/23/51/1384732351.db2.gz KMSYRUDAPNFOBQ-XIYVOTBMSA-N 2 0 348.531 3.052 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001172125148 1384736316 /nfs/dbraw/zinc/73/63/16/1384736316.db2.gz ORUMSMHFYLSEEG-YUBLJMCLSA-N 3 0 339.527 3.066 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2)C1CCC1 ZINC001316998287 1384755631 /nfs/dbraw/zinc/75/56/31/1384755631.db2.gz KRUYCIIBNZAHOM-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C)OCC[C@H](C)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172330392 1384771164 /nfs/dbraw/zinc/77/11/64/1384771164.db2.gz LPCVMSUKUMKEJZ-HOTGVXAUSA-N 2 0 336.524 3.135 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172337288 1384773537 /nfs/dbraw/zinc/77/35/37/1384773537.db2.gz PANGDHXFTXIYRG-QZTJIDSGSA-N 2 0 333.520 3.477 20 0 EGADRP CCOCC[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001172426189 1384789580 /nfs/dbraw/zinc/78/95/80/1384789580.db2.gz WFXCZHLNHRTBBF-SFHVURJKSA-N 2 0 331.504 3.185 20 0 EGADRP CC(C)OCC[C@H](C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172447001 1384793682 /nfs/dbraw/zinc/79/36/82/1384793682.db2.gz ORFIQYCTABADNC-IRXDYDNUSA-N 2 0 326.525 3.202 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317040832 1384813654 /nfs/dbraw/zinc/81/36/54/1384813654.db2.gz AFNHJOYHGKXSQC-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172601797 1384817085 /nfs/dbraw/zinc/81/70/85/1384817085.db2.gz GMRFOUHXQZNKLO-UAFMIMERSA-N 2 0 344.499 3.490 20 0 EGADRP CC(C)(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001317047940 1384824894 /nfs/dbraw/zinc/82/48/94/1384824894.db2.gz LTNQHTIBYROEPE-HDICACEKSA-N 2 0 347.547 3.116 20 0 EGADRP COC1CC[NH+](C2CC[NH+](C3CC(C)(C)OC(C)(C)C3)CC2)CC1 ZINC001172660439 1384828711 /nfs/dbraw/zinc/82/87/11/1384828711.db2.gz IUJMQURIBWEBKR-UHFFFAOYSA-N 2 0 338.536 3.298 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)[NH+](CC)CC ZINC001317085565 1384848290 /nfs/dbraw/zinc/84/82/90/1384848290.db2.gz AGGYYSYFDKUBPV-FPXQBCRKSA-N 2 0 349.494 3.244 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001172792958 1384853113 /nfs/dbraw/zinc/85/31/13/1384853113.db2.gz VMBHZUSMEXKRPL-QRVBRYPASA-N 2 0 336.520 3.449 20 0 EGADRP C[C@H](Cc1c(F)cccc1Cl)N(CCC[NH3+])CCC[NH+](C)C ZINC001172841930 1384863832 /nfs/dbraw/zinc/86/38/32/1384863832.db2.gz NPZLBSMMXFEVGC-CQSZACIVSA-N 2 0 329.891 3.013 20 0 EGADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172883338 1384872111 /nfs/dbraw/zinc/87/21/11/1384872111.db2.gz RQDPRUUQBYFUDO-OAHLLOKOSA-N 2 0 341.952 3.048 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](C)CCC[NH+]1CCCC1 ZINC001172966233 1384892080 /nfs/dbraw/zinc/89/20/80/1384892080.db2.gz ZWWKLXWBARELPY-MRXNPFEDSA-N 2 0 327.513 3.050 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173054825 1384902857 /nfs/dbraw/zinc/90/28/57/1384902857.db2.gz PGUBAHJPCQQZCL-DLBZAZTESA-N 2 0 339.524 3.240 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173065604 1384905889 /nfs/dbraw/zinc/90/58/89/1384905889.db2.gz XARQYUMYDDBSEO-NCOADZHNSA-N 2 0 339.524 3.237 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075362 1384908361 /nfs/dbraw/zinc/90/83/61/1384908361.db2.gz KOSUPEAMDCSLOS-JKSUJKDBSA-N 2 0 327.513 3.048 20 0 EGADRP CCCOC1CCC([NH+]2CCN(CCC[NH+](CC)CC)CC2)CC1 ZINC001173100889 1384914832 /nfs/dbraw/zinc/91/48/32/1384914832.db2.gz XVHATXXDDHGVFD-UHFFFAOYSA-N 2 0 339.568 3.074 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3ccccc3NC2=O)CC1 ZINC001173102903 1384914927 /nfs/dbraw/zinc/91/49/27/1384914927.db2.gz CVAFOJDBHZOBHJ-TVPLGVNVSA-N 2 0 329.488 3.183 20 0 EGADRP CCN(CC[NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)OC(C)(C)C ZINC001173104669 1384915535 /nfs/dbraw/zinc/91/55/35/1384915535.db2.gz UKUXOXDUBBORCW-UHFFFAOYSA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC1 ZINC001173106854 1384916049 /nfs/dbraw/zinc/91/60/49/1384916049.db2.gz FXWZOMFANYZPFH-UHFFFAOYSA-N 3 0 340.600 3.115 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC1 ZINC001173109294 1384916066 /nfs/dbraw/zinc/91/60/66/1384916066.db2.gz GHWFBGTZWKTFRN-HWMSQKFYSA-N 2 0 341.499 3.307 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3ccncc3)CCOCC2)CC1 ZINC001173109862 1384917299 /nfs/dbraw/zinc/91/72/99/1384917299.db2.gz JIEHSGSPAYZJIZ-UHFFFAOYSA-N 2 0 345.531 3.372 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC3(CCN(C(C)C)C3=O)CC2)CC1 ZINC001173113874 1384917751 /nfs/dbraw/zinc/91/77/51/1384917751.db2.gz NPIZMYHGKKKCNS-UHFFFAOYSA-N 2 0 349.563 3.362 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3ccc(C(=O)OC)cc3C2)CC1 ZINC001173115172 1384917893 /nfs/dbraw/zinc/91/78/93/1384917893.db2.gz XPKBSYJGLWBQPK-UHFFFAOYSA-N 2 0 344.499 3.484 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3ncc(C)s3)CC2)CC1 ZINC001173112770 1384917929 /nfs/dbraw/zinc/91/79/29/1384917929.db2.gz BATZPDXXUIIJEU-UHFFFAOYSA-N 2 0 336.549 3.227 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001317154279 1384919653 /nfs/dbraw/zinc/91/96/53/1384919653.db2.gz VNYSHGSVZPZDCN-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001317180643 1384956147 /nfs/dbraw/zinc/95/61/47/1384956147.db2.gz LWCJFLXLQKZCBS-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(OC(F)(F)F)ccc32)C1 ZINC001173355215 1384963687 /nfs/dbraw/zinc/96/36/87/1384963687.db2.gz NYCYNFWCKOASIQ-ZDUSSCGKSA-N 2 0 341.377 3.308 20 0 EGADRP CCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC001173352024 1384963741 /nfs/dbraw/zinc/96/37/41/1384963741.db2.gz CXTZLHKGXHLZAA-SFHVURJKSA-N 2 0 335.923 3.236 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001173456990 1384974242 /nfs/dbraw/zinc/97/42/42/1384974242.db2.gz IKWUVQUUAQUBTI-OAHLLOKOSA-N 2 0 328.472 3.007 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001317201274 1384978359 /nfs/dbraw/zinc/97/83/59/1384978359.db2.gz AQZHRBNMKRADIH-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CC[NH+](C)CC1 ZINC001173541847 1384980824 /nfs/dbraw/zinc/98/08/24/1384980824.db2.gz DMNNVIMHIRYLLF-CQSZACIVSA-N 2 0 344.330 3.152 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)CC2 ZINC001173613983 1384988984 /nfs/dbraw/zinc/98/89/84/1384988984.db2.gz MLFMJVFMODQGIJ-SARBKMAYSA-N 2 0 336.520 3.339 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C3CCC3)CC2)cc1 ZINC001173713679 1385007432 /nfs/dbraw/zinc/00/74/32/1385007432.db2.gz FMPZBRMWIXAIPY-MRXNPFEDSA-N 2 0 344.499 3.258 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC001173726424 1385009979 /nfs/dbraw/zinc/00/99/79/1385009979.db2.gz USTCSSACONRKGM-LSJNQWAISA-N 2 0 332.488 3.114 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC001173726423 1385010207 /nfs/dbraw/zinc/01/02/07/1385010207.db2.gz USTCSSACONRKGM-DMKPSLHHSA-N 2 0 332.488 3.114 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001317260045 1385029932 /nfs/dbraw/zinc/02/99/32/1385029932.db2.gz ZQWABRTWVWJNTI-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3ccc4c(c3)C[N@@H+](C)CC4)cc2)CC1 ZINC001174817269 1385154562 /nfs/dbraw/zinc/15/45/62/1385154562.db2.gz LYKRUPGMYFMMHW-UHFFFAOYSA-N 2 0 336.483 3.170 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@H+](C)CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317471752 1385166398 /nfs/dbraw/zinc/16/63/98/1385166398.db2.gz OMTSMHIRJXTHKZ-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905243 1385168284 /nfs/dbraw/zinc/16/82/84/1385168284.db2.gz JDOPIGIEHFWZEO-SQNIBIBYSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174947999 1385173043 /nfs/dbraw/zinc/17/30/43/1385173043.db2.gz HDDZUPWQHRIWOS-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCC[NH+](C)C ZINC001174949393 1385173382 /nfs/dbraw/zinc/17/33/82/1385173382.db2.gz QWPIBPFZGJYNCV-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949792 1385173420 /nfs/dbraw/zinc/17/34/20/1385173420.db2.gz SXHCAVNIZXPFHR-DVBCCOPCSA-N 2 0 337.552 3.339 20 0 EGADRP Cc1ccc(CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001174962206 1385175219 /nfs/dbraw/zinc/17/52/19/1385175219.db2.gz RNHAXTSKTWHCOV-IBGZPJMESA-N 2 0 347.547 3.144 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCc1ccccc1)NC(=O)CC[NH+](C)C ZINC001175047706 1385186111 /nfs/dbraw/zinc/18/61/11/1385186111.db2.gz AJZUZDYWUILMEJ-IBGZPJMESA-N 2 0 347.547 3.226 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256570 1385231157 /nfs/dbraw/zinc/23/11/57/1385231157.db2.gz MGXJADATCQFVPU-FNYRVFDFSA-N 2 0 337.552 3.482 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001175315530 1385249946 /nfs/dbraw/zinc/24/99/46/1385249946.db2.gz GGSALMOZIFWKGM-MJGOQNOKSA-N 2 0 333.520 3.100 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581818 1385339543 /nfs/dbraw/zinc/33/95/43/1385339543.db2.gz UBILFPPNBYTEBM-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CCCOc1cccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001175601213 1385345783 /nfs/dbraw/zinc/34/57/83/1385345783.db2.gz WIWSLXLIDGCEAT-UHFFFAOYSA-N 2 0 326.444 3.366 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1)CC(C)(C)C ZINC001317722886 1385423892 /nfs/dbraw/zinc/42/38/92/1385423892.db2.gz BFISDFNGZIVBBW-LJQANCHMSA-N 2 0 345.531 3.212 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175875136 1385427769 /nfs/dbraw/zinc/42/77/69/1385427769.db2.gz YINXSSXHSFZDHD-SFFCAUCYSA-N 2 0 337.552 3.339 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175968199 1385448294 /nfs/dbraw/zinc/44/82/94/1385448294.db2.gz VGWXSCFYCVSPHG-GOSISDBHSA-N 2 0 339.568 3.418 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001317770041 1385461376 /nfs/dbraw/zinc/46/13/76/1385461376.db2.gz NPLVNELJHSDYNV-PMACEKPBSA-N 2 0 345.531 3.148 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176024465 1385464106 /nfs/dbraw/zinc/46/41/06/1385464106.db2.gz ONABHMMVMSZDPC-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001176023893 1385464238 /nfs/dbraw/zinc/46/42/38/1385464238.db2.gz LIIGIBUWVUSIQU-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176024900 1385464246 /nfs/dbraw/zinc/46/42/46/1385464246.db2.gz TYMXVPMJMHMVOL-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001176057711 1385474021 /nfs/dbraw/zinc/47/40/21/1385474021.db2.gz RRTLWNULGOCEGD-FUHWJXTLSA-N 2 0 345.531 3.093 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001176111086 1385487020 /nfs/dbraw/zinc/48/70/20/1385487020.db2.gz FUJWSVOLOJPQHF-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC[C@@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001317801878 1385496203 /nfs/dbraw/zinc/49/62/03/1385496203.db2.gz FLDQNOVKFGOHLF-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176183467 1385504104 /nfs/dbraw/zinc/50/41/04/1385504104.db2.gz CFURYUIVLTUWRD-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185227 1385505474 /nfs/dbraw/zinc/50/54/74/1385505474.db2.gz UTGUFURACFIBAY-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192612 1385507926 /nfs/dbraw/zinc/50/79/26/1385507926.db2.gz NRTYLNUFYYVUOX-CVEARBPZSA-N 2 0 334.508 3.072 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2c[nH+]ccc2N2CCCC2)cc1 ZINC001176230194 1385520724 /nfs/dbraw/zinc/52/07/24/1385520724.db2.gz ZWNKNLTXVBOHMO-UHFFFAOYSA-N 2 0 326.444 3.366 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176284736 1385538411 /nfs/dbraw/zinc/53/84/11/1385538411.db2.gz JROBPGOOPOJXMU-HOTGVXAUSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC001176328303 1385553222 /nfs/dbraw/zinc/55/32/22/1385553222.db2.gz RKBAKZIBHPDITE-QGZVFWFLSA-N 2 0 349.494 3.249 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)CCC1 ZINC001317972361 1385594226 /nfs/dbraw/zinc/59/42/26/1385594226.db2.gz DVXRAONTPMOOBM-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565104 1385626018 /nfs/dbraw/zinc/62/60/18/1385626018.db2.gz SKHWUQUYIPOQGJ-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574506 1385629181 /nfs/dbraw/zinc/62/91/81/1385629181.db2.gz SLBBHQCRHSMHKZ-RBUKOAKNSA-N 2 0 345.531 3.416 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176573951 1385629465 /nfs/dbraw/zinc/62/94/65/1385629465.db2.gz PKUPFQGIQXZFFM-SFHVURJKSA-N 2 0 345.531 3.109 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728797 1385674233 /nfs/dbraw/zinc/67/42/33/1385674233.db2.gz PUORVDNYUPGNSB-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001176752957 1385683114 /nfs/dbraw/zinc/68/31/14/1385683114.db2.gz BOWGOLKXYHYOJQ-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176754126 1385684295 /nfs/dbraw/zinc/68/42/95/1385684295.db2.gz RCGIGMIGONVQOJ-LMICACPXSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176754700 1385684855 /nfs/dbraw/zinc/68/48/55/1385684855.db2.gz YLCWXLSBNACNCV-GOSISDBHSA-N 2 0 337.552 3.482 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176759581 1385686792 /nfs/dbraw/zinc/68/67/92/1385686792.db2.gz KSQGICANJSBANN-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001176936880 1385748931 /nfs/dbraw/zinc/74/89/31/1385748931.db2.gz FGXANTCOJIJCQE-RBUKOAKNSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1c(C)n[nH]c1C ZINC001177293947 1385901147 /nfs/dbraw/zinc/90/11/47/1385901147.db2.gz BNQKMUBHHFBSDX-UHFFFAOYSA-N 2 0 330.476 3.037 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001177339470 1385919605 /nfs/dbraw/zinc/91/96/05/1385919605.db2.gz HPLUYIOZAWDGQY-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1)[NH+](C)C ZINC001177348629 1385924017 /nfs/dbraw/zinc/92/40/17/1385924017.db2.gz LLJXMJGMALEZBT-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177402805 1385944078 /nfs/dbraw/zinc/94/40/78/1385944078.db2.gz WLNSAHZPRBLODQ-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177415686 1385948967 /nfs/dbraw/zinc/94/89/67/1385948967.db2.gz IGSXIFMRNMBQGD-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001177440145 1385957419 /nfs/dbraw/zinc/95/74/19/1385957419.db2.gz AFFBSYMLVZIBEC-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001177448720 1385960543 /nfs/dbraw/zinc/96/05/43/1385960543.db2.gz SUOSIFVLIOXQLV-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177467012 1385967280 /nfs/dbraw/zinc/96/72/80/1385967280.db2.gz QJUVWBSVLZQQFK-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)o1 ZINC001319191132 1385999919 /nfs/dbraw/zinc/99/99/19/1385999919.db2.gz YFMGMCGJKDTJKR-QGZVFWFLSA-N 2 0 327.472 3.186 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNCc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC001177811139 1386053601 /nfs/dbraw/zinc/05/36/01/1386053601.db2.gz TYOPIBKOOWGZIZ-INIZCTEOSA-N 2 0 326.488 3.367 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NC1CC[NH+](CCOC(C)C)CC1 ZINC001319313981 1386053680 /nfs/dbraw/zinc/05/36/80/1386053680.db2.gz KWZAJUYZQSDSMD-UHFFFAOYSA-N 2 0 327.472 3.266 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483583 1386231297 /nfs/dbraw/zinc/23/12/97/1386231297.db2.gz FMELDVWFWLPEQP-MOPGFXCFSA-N 2 0 335.536 3.093 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502294 1386237224 /nfs/dbraw/zinc/23/72/24/1386237224.db2.gz KGOHUMDDYKXHIW-BBIZLLLXSA-N 2 0 349.563 3.341 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178517924 1386240374 /nfs/dbraw/zinc/24/03/74/1386240374.db2.gz AFYATTQZEXHEPQ-UYAOXDASSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001178521661 1386240944 /nfs/dbraw/zinc/24/09/44/1386240944.db2.gz AWCKMLYKVYEZLU-SJLPKXTDSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCC2CCCC2)CC[N@@H+]1C ZINC001178522213 1386241023 /nfs/dbraw/zinc/24/10/23/1386241023.db2.gz HENLALQYGRKXFK-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178527395 1386242110 /nfs/dbraw/zinc/24/21/10/1386242110.db2.gz KTPMQMUTLMGHNX-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178693241 1386279636 /nfs/dbraw/zinc/27/96/36/1386279636.db2.gz MKDRPHUWKJZJNS-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001178693523 1386279659 /nfs/dbraw/zinc/27/96/59/1386279659.db2.gz VGBZSNIZDZXJGH-GOSISDBHSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178693399 1386279694 /nfs/dbraw/zinc/27/96/94/1386279694.db2.gz PTXATOSFGHHXRK-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707652 1386284727 /nfs/dbraw/zinc/28/47/27/1386284727.db2.gz LIXRDSHPMHVTBF-BJLQDIEVSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178732788 1386292720 /nfs/dbraw/zinc/29/27/20/1386292720.db2.gz BSQRHQNWJKUQDP-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001178815745 1386316032 /nfs/dbraw/zinc/31/60/32/1386316032.db2.gz LWHMVPFHIKHSER-HXUWFJFHSA-N 2 0 347.547 3.410 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178853434 1386329968 /nfs/dbraw/zinc/32/99/68/1386329968.db2.gz JJZACBAZTZIWJS-UHFFFAOYSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178894847 1386341388 /nfs/dbraw/zinc/34/13/88/1386341388.db2.gz LNHHIVNAQMVFRP-UHFFFAOYSA-N 2 0 346.519 3.140 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1C ZINC001319866066 1386345029 /nfs/dbraw/zinc/34/50/29/1386345029.db2.gz ZRDAUWQMYAYFSQ-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001178938531 1386355415 /nfs/dbraw/zinc/35/54/15/1386355415.db2.gz DXCVOGDUDBBBGL-UHFFFAOYSA-N 2 0 347.547 3.381 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001179234522 1386428580 /nfs/dbraw/zinc/42/85/80/1386428580.db2.gz RETCAWPOTFFXKD-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)C1 ZINC001179358019 1386462374 /nfs/dbraw/zinc/46/23/74/1386462374.db2.gz QPGPBMZALJLTJL-MSOLQXFVSA-N 2 0 343.531 3.123 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001179392534 1386473182 /nfs/dbraw/zinc/47/31/82/1386473182.db2.gz GUUXUBZHNQICOB-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179395423 1386474542 /nfs/dbraw/zinc/47/45/42/1386474542.db2.gz NKDYKJBGWZDVIU-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001179402874 1386475976 /nfs/dbraw/zinc/47/59/76/1386475976.db2.gz FPCQREPONYFSGI-CEXWTWQISA-N 2 0 337.552 3.031 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)CCC[NH+](C)C)c1ccccc1 ZINC001179403924 1386477166 /nfs/dbraw/zinc/47/71/66/1386477166.db2.gz YGTYPEOLXQIXMK-GOSISDBHSA-N 2 0 333.520 3.356 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1sccc1Cl ZINC001179461333 1386487189 /nfs/dbraw/zinc/48/71/89/1386487189.db2.gz HBIIBBPDKZJCOA-UHFFFAOYSA-N 2 0 345.940 3.119 20 0 EGADRP CN(CC[N@H+](C)CC1CCCCC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001320069590 1386490435 /nfs/dbraw/zinc/49/04/35/1386490435.db2.gz ZDOHANKDHMLDNO-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179516407 1386503150 /nfs/dbraw/zinc/50/31/50/1386503150.db2.gz AZOIGLACMRTQHS-BZSNNMDCSA-N 2 0 325.541 3.266 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H]1C)[NH+](CC)CC ZINC001179521962 1386504917 /nfs/dbraw/zinc/50/49/17/1386504917.db2.gz WNMDAJLMRHADEF-IHPCNDPISA-N 2 0 345.531 3.194 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001179538910 1386510368 /nfs/dbraw/zinc/51/03/68/1386510368.db2.gz LCBJDNZCAFJJPF-ZWOKBUDYSA-N 2 0 345.531 3.029 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CCC(C)C)[NH+](CC)CC ZINC001179565206 1386515834 /nfs/dbraw/zinc/51/58/34/1386515834.db2.gz MPBJEYJLZLSVOL-GOSISDBHSA-N 2 0 327.557 3.419 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC001179609548 1386531066 /nfs/dbraw/zinc/53/10/66/1386531066.db2.gz VSXPTRWILCFZGY-FQEVSTJZSA-N 2 0 347.547 3.410 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179792553 1386587706 /nfs/dbraw/zinc/58/77/06/1386587706.db2.gz ROFSPHCZAKFDNT-RBUKOAKNSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179850860 1386607169 /nfs/dbraw/zinc/60/71/69/1386607169.db2.gz OLOBXWNRSBHUOB-HJWRWDBZSA-N 2 0 325.541 3.341 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001179899687 1386622442 /nfs/dbraw/zinc/62/24/42/1386622442.db2.gz YOXDDPCCGAVVRZ-JXFKEZNVSA-N 2 0 349.563 3.124 20 0 EGADRP CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)cc1 ZINC001179967490 1386651889 /nfs/dbraw/zinc/65/18/89/1386651889.db2.gz CMXPIJCMNDSBKO-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180351721 1386771780 /nfs/dbraw/zinc/77/17/80/1386771780.db2.gz IMWJVNZGBUDIKX-HDICACEKSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180372564 1386777492 /nfs/dbraw/zinc/77/74/92/1386777492.db2.gz BSSHIFVLJUXIII-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001180373052 1386777595 /nfs/dbraw/zinc/77/75/95/1386777595.db2.gz PKXMROKTEMDOPS-GOSISDBHSA-N 2 0 325.541 3.172 20 0 EGADRP CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001181562510 1387016610 /nfs/dbraw/zinc/01/66/10/1387016610.db2.gz BSAFVRGVZRNBDI-SFHVURJKSA-N 2 0 339.524 3.051 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671013 1387035850 /nfs/dbraw/zinc/03/58/50/1387035850.db2.gz HLEPVCQOYWHBAL-WSTZPKSXSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCC(C)(C)NC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182040484 1387097975 /nfs/dbraw/zinc/09/79/75/1387097975.db2.gz OYZBVMMLUPCQDI-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001322245641 1387119619 /nfs/dbraw/zinc/11/96/19/1387119619.db2.gz YYVRNCHFNBYKBV-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001322248984 1387121267 /nfs/dbraw/zinc/12/12/67/1387121267.db2.gz NGEXCDITPDMLCH-JXFKEZNVSA-N 2 0 341.499 3.117 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001182486731 1387174665 /nfs/dbraw/zinc/17/46/65/1387174665.db2.gz SEVMXDDOENDCKX-DAHFBQOPSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322393451 1387178458 /nfs/dbraw/zinc/17/84/58/1387178458.db2.gz XJLZVXGRQINJLJ-FCGDIQPGSA-N 2 0 335.536 3.115 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001322394244 1387178584 /nfs/dbraw/zinc/17/85/84/1387178584.db2.gz VODNDYUVYPLZOO-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182590811 1387193022 /nfs/dbraw/zinc/19/30/22/1387193022.db2.gz UFXALOKBCSEHQF-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001182598509 1387194162 /nfs/dbraw/zinc/19/41/62/1387194162.db2.gz FURGVTOWYJTEFU-QWFCFKBJSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1)[NH+](CC)CC ZINC001182599299 1387194907 /nfs/dbraw/zinc/19/49/07/1387194907.db2.gz UKTKYTRUGNNASV-QWFCFKBJSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001182807237 1387228124 /nfs/dbraw/zinc/22/81/24/1387228124.db2.gz OUTYPFSEUJSGKB-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001329549519 1389152295 /nfs/dbraw/zinc/15/22/95/1389152295.db2.gz JZMRJTIHAMZUFK-MSOLQXFVSA-N 2 0 347.547 3.470 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336778704 1389167329 /nfs/dbraw/zinc/16/73/29/1389167329.db2.gz AGEAHDJSAHHFQQ-RXVVDRJESA-N 2 0 340.511 3.453 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001698718581 1406363094 /nfs/dbraw/zinc/36/30/94/1406363094.db2.gz ZXZUFYFYKIZNQB-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CC[NH+](CC)C1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001330545433 1389451094 /nfs/dbraw/zinc/45/10/94/1389451094.db2.gz VIESAZZWOQXDDG-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C[NH2+]C(C)(C)C)CCCC1)c1ccccc1 ZINC001339020755 1389861834 /nfs/dbraw/zinc/86/18/34/1389861834.db2.gz OLCYMAQWDYJGHE-INIZCTEOSA-N 2 0 331.504 3.154 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cccn3C3CC3)cc2)CC1 ZINC001331897134 1389901728 /nfs/dbraw/zinc/90/17/28/1389901728.db2.gz QJTWVWDYLORLIV-UHFFFAOYSA-N 2 0 339.483 3.070 20 0 EGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc2)C1 ZINC001340107490 1390227878 /nfs/dbraw/zinc/22/78/78/1390227878.db2.gz YOOWTTJMJMGWEO-MAUKXSAKSA-N 2 0 347.503 3.109 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC001333423483 1390300908 /nfs/dbraw/zinc/30/09/08/1390300908.db2.gz QTRDZDBQYSDRQN-RXVVDRJESA-N 2 0 347.547 3.022 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001341621513 1390510997 /nfs/dbraw/zinc/51/09/97/1390510997.db2.gz AVFHNPUYKVRSKW-HXUWFJFHSA-N 2 0 335.451 3.283 20 0 EGADRP CCc1ncc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC001334778580 1390587250 /nfs/dbraw/zinc/58/72/50/1390587250.db2.gz BUKYURBSPYGOQR-IGOJGBNBSA-N 2 0 327.472 3.483 20 0 EGADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001335134561 1390647166 /nfs/dbraw/zinc/64/71/66/1390647166.db2.gz TUEHNHSBLWGSJK-OKZBNKHCSA-N 2 0 332.488 3.256 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCC(F)F)C[C@@H]2C1 ZINC001343335350 1390707961 /nfs/dbraw/zinc/70/79/61/1390707961.db2.gz XCUXQZCMWHKZIE-BHYGNILZSA-N 2 0 338.442 3.493 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC001348842431 1391274052 /nfs/dbraw/zinc/27/40/52/1391274052.db2.gz ZAPXSMVMDYLFBZ-NEPJUHHUSA-N 2 0 331.382 3.010 20 0 EGADRP C[C@@]1(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)C[C@H]1c1ccccc1 ZINC001350338235 1391449916 /nfs/dbraw/zinc/44/99/16/1391449916.db2.gz KRGVBUYQZPSBCB-SFTDATJTSA-N 2 0 328.500 3.413 20 0 EGADRP Cn1nc(CCC[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC001350359096 1391452955 /nfs/dbraw/zinc/45/29/55/1391452955.db2.gz PZTTUJKVHDEAIG-INIZCTEOSA-N 2 0 344.478 3.090 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001351975247 1391733262 /nfs/dbraw/zinc/73/32/62/1391733262.db2.gz LCCRHFSMLBVSTD-AYHJJNSGSA-N 2 0 331.504 3.444 20 0 EGADRP C[C@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001479826884 1392414304 /nfs/dbraw/zinc/41/43/04/1392414304.db2.gz OXPCXYIPKPITFB-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001479835575 1392421053 /nfs/dbraw/zinc/42/10/53/1392421053.db2.gz XOXCEGQVTOYOFP-HKUYNNGSSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479908211 1392475568 /nfs/dbraw/zinc/47/55/68/1392475568.db2.gz KAWYDCOFOMCQJS-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698859519 1406568915 /nfs/dbraw/zinc/56/89/15/1406568915.db2.gz CPSAEAZNYGCHQY-QZTJIDSGSA-N 2 0 331.504 3.060 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1)C1CCC1 ZINC001480320074 1392679949 /nfs/dbraw/zinc/67/99/49/1392679949.db2.gz UOHYKLUSTAIAAU-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001480358040 1392703636 /nfs/dbraw/zinc/70/36/36/1392703636.db2.gz KRQPUDFWSFOAGU-MJGOQNOKSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001480357813 1392703646 /nfs/dbraw/zinc/70/36/46/1392703646.db2.gz DYPFRWLFHVTULI-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001480358039 1392703835 /nfs/dbraw/zinc/70/38/35/1392703835.db2.gz KRQPUDFWSFOAGU-HKUYNNGSSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([N@H+](C)C/C=C/Cl)C2)c1 ZINC001480742453 1392908943 /nfs/dbraw/zinc/90/89/43/1392908943.db2.gz LKTYQEJWPHPUKW-WGLAMXGCSA-N 2 0 349.906 3.037 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480920481 1393020619 /nfs/dbraw/zinc/02/06/19/1393020619.db2.gz QXAFPLZWAPUZMQ-UYAOXDASSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481127194 1393127094 /nfs/dbraw/zinc/12/70/94/1393127094.db2.gz QETAYQKUZWHCTQ-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001481215173 1393150303 /nfs/dbraw/zinc/15/03/03/1393150303.db2.gz GJQWLMHJVLNKIR-OXQOHEQNSA-N 2 0 339.483 3.043 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001698941943 1406681713 /nfs/dbraw/zinc/68/17/13/1406681713.db2.gz YTVXLJRDLKTHDG-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001481391481 1394233288 /nfs/dbraw/zinc/23/32/88/1394233288.db2.gz VOEDUQGUZMLGCQ-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccccc1 ZINC001491181085 1394461386 /nfs/dbraw/zinc/46/13/86/1394461386.db2.gz ZGBWZTBYAMPDLF-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001481779643 1394525137 /nfs/dbraw/zinc/52/51/37/1394525137.db2.gz VGTWNOCPFARNHL-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481869381 1394568646 /nfs/dbraw/zinc/56/86/46/1394568646.db2.gz KYJKGNYVSSWHHE-ZWKOTPCHSA-N 2 0 339.568 3.273 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001481985133 1394646926 /nfs/dbraw/zinc/64/69/26/1394646926.db2.gz QBIRQAJLBXVESK-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC(CC)CC)C[C@H]21 ZINC001484473194 1395407625 /nfs/dbraw/zinc/40/76/25/1395407625.db2.gz ZBSIBGVCNXBHRQ-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001484562376 1395448251 /nfs/dbraw/zinc/44/82/51/1395448251.db2.gz YMTPJQWKJVNBPR-INIZCTEOSA-N 2 0 333.520 3.340 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCCCC3)CCC2)CC1 ZINC001484658009 1395467183 /nfs/dbraw/zinc/46/71/83/1395467183.db2.gz XPJWVAJLHSTESH-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484757106 1395508147 /nfs/dbraw/zinc/50/81/47/1395508147.db2.gz JHLDNGJVGSJDTJ-GOSISDBHSA-N 2 0 345.531 3.178 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(Cl)s1)[NH+](C)C ZINC001484765869 1395519567 /nfs/dbraw/zinc/51/95/67/1395519567.db2.gz VNDXZUKXTJCVBU-CQSZACIVSA-N 2 0 345.940 3.022 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001484977058 1395616899 /nfs/dbraw/zinc/61/68/99/1395616899.db2.gz PNRMMYWQSQUUAV-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C)[C@@H](C)C1 ZINC001484985246 1395628531 /nfs/dbraw/zinc/62/85/31/1395628531.db2.gz DOCCKPDCDUBGAL-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001485582617 1396059211 /nfs/dbraw/zinc/05/92/11/1396059211.db2.gz RYQRKZUZSKRTOE-OALUTQOASA-N 2 0 349.563 3.290 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493240646 1396338576 /nfs/dbraw/zinc/33/85/76/1396338576.db2.gz SPEYTPSUYYUZPS-QZTJIDSGSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001494170122 1396393833 /nfs/dbraw/zinc/39/38/33/1396393833.db2.gz AFBCOBKMTBEUDP-DLBZAZTESA-N 2 0 349.494 3.009 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001495458427 1396536221 /nfs/dbraw/zinc/53/62/21/1396536221.db2.gz ROBFMTWUZYQOGM-UTRMSSBJSA-N 2 0 349.494 3.244 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001497845279 1396857326 /nfs/dbraw/zinc/85/73/26/1396857326.db2.gz KHFDXXYVMXPTPK-HUUCEWRRSA-N 2 0 349.906 3.124 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)CC[NH+]1CCCCC1 ZINC001497993684 1396907736 /nfs/dbraw/zinc/90/77/36/1396907736.db2.gz SUEDXLJFXWBXTB-YLJYHZDGSA-N 2 0 343.515 3.034 20 0 EGADRP C[C@H](C[N@H+](C)Cc1cccc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001498368523 1396977544 /nfs/dbraw/zinc/97/75/44/1396977544.db2.gz DKXDXBIGVTYCPJ-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCC2CCCC2)C2CC2)CC1 ZINC001690176241 1404373880 /nfs/dbraw/zinc/37/38/80/1404373880.db2.gz NZGRCHYXVZENHW-FQEVSTJZSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001690295036 1404455576 /nfs/dbraw/zinc/45/55/76/1404455576.db2.gz IHDKXNOHCLJKIJ-VDGAXYAQSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001690300270 1404459928 /nfs/dbraw/zinc/45/99/28/1404459928.db2.gz VUHPTDSUEZRPEF-UAFMIMERSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001690540711 1404626851 /nfs/dbraw/zinc/62/68/51/1404626851.db2.gz YSSLQXMQTKBTLP-IPJUCJBFSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001690688924 1404690088 /nfs/dbraw/zinc/69/00/88/1404690088.db2.gz OWMTVRABTHYCJY-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690780950 1404728707 /nfs/dbraw/zinc/72/87/07/1404728707.db2.gz NMDPBFLQXOPKHQ-MOPGFXCFSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690819066 1404754890 /nfs/dbraw/zinc/75/48/90/1404754890.db2.gz SXJWXIBNSUGBPZ-SJORKVTESA-N 2 0 349.494 3.151 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001691000566 1404917683 /nfs/dbraw/zinc/91/76/83/1404917683.db2.gz LEGFPGIYUCHJDJ-HXUWFJFHSA-N 2 0 345.531 3.034 20 0 EGADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001698602767 1406228936 /nfs/dbraw/zinc/22/89/36/1406228936.db2.gz OZFBBADUDJPRHM-SJLPKXTDSA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)C[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001732021672 1428238943 /nfs/dbraw/zinc/23/89/43/1428238943.db2.gz JPOCGHNSPRXLOB-GOSISDBHSA-N 2 0 333.520 3.067 20 0 EGADRP C[N@H+](CCCC1CCCC1)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001732082582 1428338563 /nfs/dbraw/zinc/33/85/63/1428338563.db2.gz QMSFNBFIECZHNW-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001732213787 1428461861 /nfs/dbraw/zinc/46/18/61/1428461861.db2.gz IOOUHFNFNHDEOI-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP CC(C)[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001732297828 1428518318 /nfs/dbraw/zinc/51/83/18/1428518318.db2.gz KSYVXCYWOXAVOD-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+][C@@H](C)c1ccccc1 ZINC001732362522 1428548888 /nfs/dbraw/zinc/54/88/88/1428548888.db2.gz XHSVETMGLACSHA-SJORKVTESA-N 2 0 333.520 3.067 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1 ZINC001732394706 1428562645 /nfs/dbraw/zinc/56/26/45/1428562645.db2.gz PJTTTXGQCBQFLR-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH2+]C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C1CCCCC1 ZINC001732477106 1428603037 /nfs/dbraw/zinc/60/30/37/1428603037.db2.gz JJNFGXDVSGCRLF-FQEVSTJZSA-N 2 0 345.531 3.079 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001699190831 1412563223 /nfs/dbraw/zinc/56/32/23/1412563223.db2.gz WPBPHMLRTKBMLI-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699429305 1412745825 /nfs/dbraw/zinc/74/58/25/1412745825.db2.gz VUQCOLUMQCIHIC-ZWKOTPCHSA-N 2 0 345.531 3.271 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001699606811 1412970697 /nfs/dbraw/zinc/97/06/97/1412970697.db2.gz OSVPXUIBFFCNHF-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001699828168 1413256116 /nfs/dbraw/zinc/25/61/16/1413256116.db2.gz YWJZBKWGILNAEI-OXQOHEQNSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001699862417 1413297671 /nfs/dbraw/zinc/29/76/71/1413297671.db2.gz VKFXIXOYHIODSC-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001700101312 1413519036 /nfs/dbraw/zinc/51/90/36/1413519036.db2.gz ZINZTXUIHXTVAS-WGSAOQKQSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001700178053 1413588317 /nfs/dbraw/zinc/58/83/17/1413588317.db2.gz VFECIVZHBLFTNC-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001700252147 1413697944 /nfs/dbraw/zinc/69/79/44/1413697944.db2.gz AOAPJDAVNUPPEH-QGZVFWFLSA-N 2 0 343.515 3.293 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001700324280 1413793105 /nfs/dbraw/zinc/79/31/05/1413793105.db2.gz IVBWJQIBEGIWCC-ICSRJNTNSA-N 2 0 345.531 3.162 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001700359972 1413870956 /nfs/dbraw/zinc/87/09/56/1413870956.db2.gz YSNRHIMNVOIBHO-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001700365011 1413886683 /nfs/dbraw/zinc/88/66/83/1413886683.db2.gz SZZVSNNNDHLMLY-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700439878 1414011551 /nfs/dbraw/zinc/01/15/51/1414011551.db2.gz FBKOHHYWHCJFSE-KZNAEPCWSA-N 2 0 339.568 3.083 20 0 EGADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CCC1CCCCCC1 ZINC001700459825 1414055817 /nfs/dbraw/zinc/05/58/17/1414055817.db2.gz FQWFAPZOQFOUKY-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001732577403 1428778210 /nfs/dbraw/zinc/77/82/10/1428778210.db2.gz YYNLQDPCPGRAGT-FXAWDEMLSA-N 2 0 345.531 3.355 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1cccc(F)c1 ZINC001700530878 1414196997 /nfs/dbraw/zinc/19/69/97/1414196997.db2.gz HLIPDKJQWOVPOQ-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)cc1C ZINC001732582476 1428789927 /nfs/dbraw/zinc/78/99/27/1428789927.db2.gz OKIQBYJDJQUGAW-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001700851675 1414499443 /nfs/dbraw/zinc/49/94/43/1414499443.db2.gz NSVHWWBLJGTOBV-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001700851674 1414499623 /nfs/dbraw/zinc/49/96/23/1414499623.db2.gz NSVHWWBLJGTOBV-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001700851673 1414499831 /nfs/dbraw/zinc/49/98/31/1414499831.db2.gz NSVHWWBLJGTOBV-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732774464 1428961970 /nfs/dbraw/zinc/96/19/70/1428961970.db2.gz DSZBRRUDFPUBFQ-QUCCMNQESA-N 2 0 345.531 3.367 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001732997561 1429120564 /nfs/dbraw/zinc/12/05/64/1429120564.db2.gz MDGULOSOFHENKV-AWEZNQCLSA-N 2 0 337.533 3.098 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001733044293 1429175657 /nfs/dbraw/zinc/17/56/57/1429175657.db2.gz GTNHVIDXGYTONJ-VQIMIIECSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001713057211 1417611450 /nfs/dbraw/zinc/61/14/50/1417611450.db2.gz FZIXIIGVKORCKE-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001713100793 1417652949 /nfs/dbraw/zinc/65/29/49/1417652949.db2.gz HPNDJDQLMRMYCG-UHFFFAOYSA-N 2 0 339.568 3.323 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001713222155 1417807935 /nfs/dbraw/zinc/80/79/35/1417807935.db2.gz XRVSPFHWHTVGCE-IBGZPJMESA-N 2 0 345.531 3.055 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C)C1CCC1 ZINC001713253072 1417846962 /nfs/dbraw/zinc/84/69/62/1417846962.db2.gz MCGCPPZHWBYFCZ-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001713287719 1417914674 /nfs/dbraw/zinc/91/46/74/1417914674.db2.gz PGZHEKMBGGROQU-AOCRQIFASA-N 2 0 337.552 3.170 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccccc1 ZINC001713454185 1418103883 /nfs/dbraw/zinc/10/38/83/1418103883.db2.gz CYQGFFAYSAONCH-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](CC)Cc2ccccc2C)C1 ZINC001713490381 1418188743 /nfs/dbraw/zinc/18/87/43/1418188743.db2.gz DOWZXMVMRMNSHJ-FQEVSTJZSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](CC)[C@H](C)c2ccccc2)C1 ZINC001713490410 1418189170 /nfs/dbraw/zinc/18/91/70/1418189170.db2.gz FDEYPBHLHJFILI-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713737839 1418535023 /nfs/dbraw/zinc/53/50/23/1418535023.db2.gz NSQXDSJYBWXCQA-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713757752 1418562177 /nfs/dbraw/zinc/56/21/77/1418562177.db2.gz LJIJXIDEHPNDDP-DLBZAZTESA-N 2 0 349.494 3.009 20 0 EGADRP CCCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001713791743 1418609225 /nfs/dbraw/zinc/60/92/25/1418609225.db2.gz UALHPMCUKPJMKH-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001713849745 1418645829 /nfs/dbraw/zinc/64/58/29/1418645829.db2.gz KPRAZEHOBKRHGU-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)C1CC[NH+](CC)CC1 ZINC001713858750 1418655627 /nfs/dbraw/zinc/65/56/27/1418655627.db2.gz UVCMADSVHFEGHZ-UHFFFAOYSA-N 2 0 345.531 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001714140030 1418942508 /nfs/dbraw/zinc/94/25/08/1418942508.db2.gz RZYUJRKHVWRGNE-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001714142685 1418945051 /nfs/dbraw/zinc/94/50/51/1418945051.db2.gz YIFNTSAXKWOPPS-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH2+]C[C@@]1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCC[C@@H]1C ZINC001714187505 1418994508 /nfs/dbraw/zinc/99/45/08/1418994508.db2.gz JGAVQNCLILZWKD-PXNSSMCTSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CC)cc2)CC1 ZINC001714313309 1419093939 /nfs/dbraw/zinc/09/39/39/1419093939.db2.gz GYVLAAHYVLRSGJ-MXVIHJGJSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714447000 1419178796 /nfs/dbraw/zinc/17/87/96/1419178796.db2.gz XUIYUUQBFMAMNX-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001714500365 1419226317 /nfs/dbraw/zinc/22/63/17/1419226317.db2.gz MPURAIDAWONCPT-INIZCTEOSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC3(C[NH+](CCCC(C)(C)C)C3)CC2)CCC1 ZINC001714521147 1419247253 /nfs/dbraw/zinc/24/72/53/1419247253.db2.gz ITYLRGNMIVQYFH-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCc1ccc(C[N@H+](CC)CCNC(=O)[C@H]2CCC[NH+]2C(C)C)cc1 ZINC001714587887 1419332453 /nfs/dbraw/zinc/33/24/53/1419332453.db2.gz ZHEHMONPVUAJNV-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001715057616 1419798005 /nfs/dbraw/zinc/79/80/05/1419798005.db2.gz YIRWAOLOVQGBCA-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(C)c(C)c2)CCCC1)[NH+](C)C ZINC001715094814 1419835587 /nfs/dbraw/zinc/83/55/87/1419835587.db2.gz QRJHETCOJNQDRX-LJQANCHMSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001715098250 1419838585 /nfs/dbraw/zinc/83/85/85/1419838585.db2.gz LJPNTMZAAVNBAP-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@](C)(C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001715122697 1419867774 /nfs/dbraw/zinc/86/77/74/1419867774.db2.gz ZKGSWUREKBVWMO-OAQYLSRUSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001715127331 1419874487 /nfs/dbraw/zinc/87/44/87/1419874487.db2.gz QNUDAJZXMURZSU-NQIIRXRSSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CCCC1)[NH+](C)C ZINC001715306328 1420015278 /nfs/dbraw/zinc/01/52/78/1420015278.db2.gz MWNPJQWPCMYDCY-OALUTQOASA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)C[C@@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001715388930 1420085959 /nfs/dbraw/zinc/08/59/59/1420085959.db2.gz IMGCNWXKXKJCTK-XLIONFOSSA-N 2 0 345.531 3.210 20 0 EGADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001715411824 1420107885 /nfs/dbraw/zinc/10/78/85/1420107885.db2.gz IYCFVDVDKULIME-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCC(C)(C)C)C2)CC1 ZINC001715542184 1420240315 /nfs/dbraw/zinc/24/03/15/1420240315.db2.gz DLCJVKDWXITNDB-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001715952179 1420418624 /nfs/dbraw/zinc/41/86/24/1420418624.db2.gz GSLPVGGAPFKPMF-GOSISDBHSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715959157 1420425719 /nfs/dbraw/zinc/42/57/19/1420425719.db2.gz UXWRGKHFJJZEGG-OALUTQOASA-N 2 0 339.568 3.323 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001715976266 1420436196 /nfs/dbraw/zinc/43/61/96/1420436196.db2.gz JLHNTZDEBHYLTD-JKSUJKDBSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001716466200 1420679399 /nfs/dbraw/zinc/67/93/99/1420679399.db2.gz WDSZRBYPLDNIQA-HKUYNNGSSA-N 2 0 331.504 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001716500826 1420727148 /nfs/dbraw/zinc/72/71/48/1420727148.db2.gz KYJWLVXBLICHMK-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccc2ccccc2c1 ZINC001716503357 1420732922 /nfs/dbraw/zinc/73/29/22/1420732922.db2.gz NEKKALDJJROSQL-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CCc1cncn1C ZINC001716503769 1420733464 /nfs/dbraw/zinc/73/34/64/1420733464.db2.gz XAKZUELYCSUCFR-QGZVFWFLSA-N 2 0 348.535 3.150 20 0 EGADRP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001717007341 1421075387 /nfs/dbraw/zinc/07/53/87/1421075387.db2.gz XONSPDPDOYGURD-LJQANCHMSA-N 2 0 345.531 3.278 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](C(C)C)C1 ZINC001717217241 1421195682 /nfs/dbraw/zinc/19/56/82/1421195682.db2.gz PJNBUNZLLUFJII-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001717292101 1421238413 /nfs/dbraw/zinc/23/84/13/1421238413.db2.gz OURYMVSAPIHJSY-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001717334913 1421271319 /nfs/dbraw/zinc/27/13/19/1421271319.db2.gz BINUVSXPGTVUCB-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717370182 1421307778 /nfs/dbraw/zinc/30/77/78/1421307778.db2.gz CQMZSQWJLAIZPJ-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CN(C(=O)C[N@H+](C)C1CCC1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001717448184 1421377717 /nfs/dbraw/zinc/37/77/17/1421377717.db2.gz ZPXRULZLQZYURJ-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717751405 1421614339 /nfs/dbraw/zinc/61/43/39/1421614339.db2.gz VSOWZMOAPDBZOZ-YLJYHZDGSA-N 2 0 347.547 3.333 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@H]1C ZINC001717801967 1421629873 /nfs/dbraw/zinc/62/98/73/1421629873.db2.gz JPJUKMMAOJCVTF-YGQKLEOUSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCC(C)(C)C ZINC001717855158 1421666939 /nfs/dbraw/zinc/66/69/39/1421666939.db2.gz CTVMJBURFYHYMS-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001733336376 1429521534 /nfs/dbraw/zinc/52/15/34/1429521534.db2.gz TYCFQPBWXJSEEO-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001733415920 1429619762 /nfs/dbraw/zinc/61/97/62/1429619762.db2.gz IIDIBBJRZMLXJM-IBGZPJMESA-N 2 0 349.544 3.013 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001733453701 1429667529 /nfs/dbraw/zinc/66/75/29/1429667529.db2.gz RPKDRZVUUYYLPW-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001723529235 1424453128 /nfs/dbraw/zinc/45/31/28/1424453128.db2.gz HYZDSPRGQMMGLR-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001723649537 1424514239 /nfs/dbraw/zinc/51/42/39/1424514239.db2.gz PVWUQDJWMIPRQP-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)CC1)[NH+](C)C ZINC001724750069 1425120112 /nfs/dbraw/zinc/12/01/12/1425120112.db2.gz BQBYWBVJDXMZQF-VAMGGRTRSA-N 2 0 345.531 3.037 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725056209 1425492785 /nfs/dbraw/zinc/49/27/85/1425492785.db2.gz RYPRFXRBMXWFFX-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[C@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CC1 ZINC001725213532 1425776113 /nfs/dbraw/zinc/77/61/13/1425776113.db2.gz PWQIIUUIPBDZFP-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001725506884 1426190126 /nfs/dbraw/zinc/19/01/26/1426190126.db2.gz VFYJRAHBEOFRCA-KRWDZBQOSA-N 2 0 347.547 3.262 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C ZINC001725754145 1426433807 /nfs/dbraw/zinc/43/38/07/1426433807.db2.gz HHSRUNNFLWRSDG-MRXNPFEDSA-N 2 0 339.549 3.019 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001731500928 1427481010 /nfs/dbraw/zinc/48/10/10/1427481010.db2.gz FNFIEHGZPKAJDT-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1ccc(F)cc1 ZINC001731813517 1428001989 /nfs/dbraw/zinc/00/19/89/1428001989.db2.gz WWSILITZZCKWJT-QGZVFWFLSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001731832963 1428044210 /nfs/dbraw/zinc/04/42/10/1428044210.db2.gz DYFPFYSCFPTXPL-IEBWSBKVSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001731832966 1428044457 /nfs/dbraw/zinc/04/44/57/1428044457.db2.gz DYFPFYSCFPTXPL-MJGOQNOKSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccccc1C ZINC001731864074 1428108148 /nfs/dbraw/zinc/10/81/48/1428108148.db2.gz DQZROCGHSVKDHA-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)CCC[NH+]3CCCC3)cc2C1 ZINC001733835834 1430107733 /nfs/dbraw/zinc/10/77/33/1430107733.db2.gz KZZHSAYWRRHWOI-UHFFFAOYSA-N 2 0 343.515 3.150 20 0 EGADRP CC1(C)C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001733880125 1437707069 /nfs/dbraw/zinc/70/70/69/1437707069.db2.gz XHPABKYLKADLAZ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001733899306 1437716990 /nfs/dbraw/zinc/71/69/90/1437716990.db2.gz GWPBSJSPQCOOMD-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)[C@H](C)C1 ZINC001733901018 1437718850 /nfs/dbraw/zinc/71/88/50/1437718850.db2.gz MJMUFUVGESPTDL-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCCC(C)(C)C ZINC001733902576 1437720590 /nfs/dbraw/zinc/72/05/90/1437720590.db2.gz VOZZRLPZAZUEKY-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001734128692 1437906701 /nfs/dbraw/zinc/90/67/01/1437906701.db2.gz NVXAZMRIHSVLQB-KRWDZBQOSA-N 2 0 345.531 3.088 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001734128693 1437906734 /nfs/dbraw/zinc/90/67/34/1437906734.db2.gz NVXAZMRIHSVLQB-QGZVFWFLSA-N 2 0 345.531 3.088 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001734593869 1438179916 /nfs/dbraw/zinc/17/99/16/1438179916.db2.gz HEEFEDOAKGHLSB-JEYLPNPQSA-N 2 0 337.533 3.048 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(F)c1 ZINC001734640123 1438198277 /nfs/dbraw/zinc/19/82/77/1438198277.db2.gz GBDVQIKKUOSELD-IBGZPJMESA-N 2 0 349.494 3.060 20 0 EGADRP C[C@@H](C(=O)NCCC[N@H+](C)CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001752072510 1440138155 /nfs/dbraw/zinc/13/81/55/1440138155.db2.gz CYQQMFPBPAOFOW-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001752154273 1440146611 /nfs/dbraw/zinc/14/66/11/1440146611.db2.gz CHBWMFHOKISVOM-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001752158335 1440147981 /nfs/dbraw/zinc/14/79/81/1440147981.db2.gz MWTOCZZHOAAATD-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001752159594 1440148391 /nfs/dbraw/zinc/14/83/91/1440148391.db2.gz RDYFIGRZTBGPDQ-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001752303581 1440168467 /nfs/dbraw/zinc/16/84/67/1440168467.db2.gz VQVAPJZSWWLVPF-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CCCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001752442416 1440181695 /nfs/dbraw/zinc/18/16/95/1440181695.db2.gz TUHQKDRARSSQSP-QZTJIDSGSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001752707833 1440202938 /nfs/dbraw/zinc/20/29/38/1440202938.db2.gz QDYSPUYJDSZJRR-PMACEKPBSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001752707835 1440203087 /nfs/dbraw/zinc/20/30/87/1440203087.db2.gz QDYSPUYJDSZJRR-UXHICEINSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC001752765074 1440205543 /nfs/dbraw/zinc/20/55/43/1440205543.db2.gz GWJBBVMEBZOUNU-OQIJWPOYSA-N 2 0 331.504 3.105 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752785560 1440211236 /nfs/dbraw/zinc/21/12/36/1440211236.db2.gz XNHFMSQRUBQLTP-QWNKOJSDSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001752824824 1440222904 /nfs/dbraw/zinc/22/29/04/1440222904.db2.gz FFDKZJQEMGEMKA-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001752827366 1440224255 /nfs/dbraw/zinc/22/42/55/1440224255.db2.gz AIMAIMSPSVQPJE-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001752841138 1440230511 /nfs/dbraw/zinc/23/05/11/1440230511.db2.gz OBJKETAASSKAFO-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC/C=C\c1ccccc1 ZINC001752891571 1440241066 /nfs/dbraw/zinc/24/10/66/1440241066.db2.gz NABSUVCGILPQTB-JBMKGCFVSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001752902992 1440243479 /nfs/dbraw/zinc/24/34/79/1440243479.db2.gz JDXGERAQEZSREC-IRXDYDNUSA-N 2 0 349.494 3.015 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752999843 1440263970 /nfs/dbraw/zinc/26/39/70/1440263970.db2.gz ISGVQFCOLBHADV-WOJBJXKFSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC1CCCCC1 ZINC001753055502 1440281278 /nfs/dbraw/zinc/28/12/78/1440281278.db2.gz OXILADMNHODDNE-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001753056150 1440281428 /nfs/dbraw/zinc/28/14/28/1440281428.db2.gz SWKPZPTXEQFQAT-OAHLLOKOSA-N 2 0 349.906 3.077 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCC[N@H+](C)CC1CCCCC1 ZINC001753058545 1440282424 /nfs/dbraw/zinc/28/24/24/1440282424.db2.gz VBGCCMHGMOJQIN-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001753074360 1440290377 /nfs/dbraw/zinc/29/03/77/1440290377.db2.gz ITMCSAVBYQCOKG-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001753092805 1440300161 /nfs/dbraw/zinc/30/01/61/1440300161.db2.gz IUAVIGUKGNSXGP-IBGZPJMESA-N 2 0 345.531 3.090 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CCC1CCCCC1 ZINC001753094885 1440302007 /nfs/dbraw/zinc/30/20/07/1440302007.db2.gz LCCIKWREBNMJHX-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001753137279 1440319355 /nfs/dbraw/zinc/31/93/55/1440319355.db2.gz HPSVRNQJWCLFHU-LPHOPBHVSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1ccc(C)cc1 ZINC001753142800 1440322298 /nfs/dbraw/zinc/32/22/98/1440322298.db2.gz AOJDQXSQWDXALJ-VQTJNVASSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1 ZINC001753159623 1440332977 /nfs/dbraw/zinc/33/29/77/1440332977.db2.gz VSDSGSMGLJHMKC-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001753275662 1440346106 /nfs/dbraw/zinc/34/61/06/1440346106.db2.gz YNFCJBIOWWEFPK-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001753280011 1440347118 /nfs/dbraw/zinc/34/71/18/1440347118.db2.gz BRKDOCARXZJWGD-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001753294501 1440351624 /nfs/dbraw/zinc/35/16/24/1440351624.db2.gz OARQMIZYECLNOM-UXHICEINSA-N 2 0 345.531 3.451 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001753311724 1440356714 /nfs/dbraw/zinc/35/67/14/1440356714.db2.gz GRQKCTSMAOMIIP-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001753316077 1440359678 /nfs/dbraw/zinc/35/96/78/1440359678.db2.gz KWRXBJOJGAODBY-UYAOXDASSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@H+](C)CCC3CC3)C2)CCCCC1 ZINC001753352107 1440378259 /nfs/dbraw/zinc/37/82/59/1440378259.db2.gz ITOMVVJNFPLQHP-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753354343 1440379245 /nfs/dbraw/zinc/37/92/45/1440379245.db2.gz DRCHPFGXUUUWIP-HBCQFFLPSA-N 2 0 349.563 3.243 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438488 1440400874 /nfs/dbraw/zinc/40/08/74/1440400874.db2.gz AHJDPJVAJKUQMV-ROUUACIJSA-N 2 0 343.515 3.073 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001753447760 1440404670 /nfs/dbraw/zinc/40/46/70/1440404670.db2.gz FYNVPEGEARIFFI-IBGZPJMESA-N 2 0 345.531 3.185 20 0 EGADRP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001753462503 1440411771 /nfs/dbraw/zinc/41/17/71/1440411771.db2.gz XSMIOOSSZZOHHN-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]CC2=CCCCC2)C1 ZINC001753484099 1440417425 /nfs/dbraw/zinc/41/74/25/1440417425.db2.gz MSRVRERBHWWYNW-RBUKOAKNSA-N 2 0 335.536 3.093 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001753507303 1440424801 /nfs/dbraw/zinc/42/48/01/1440424801.db2.gz SWCIRLCHHJGFHQ-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP C[NH+]1CCC(C(=O)NC2(C[NH2+]CC3CCCCCC3)CCCC2)CC1 ZINC001753507584 1440424860 /nfs/dbraw/zinc/42/48/60/1440424860.db2.gz CCLYMXACYQQYPP-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@]1(C[NH2+]Cc2ccccc2)CCCC[C@H]1C ZINC001753536037 1440432572 /nfs/dbraw/zinc/43/25/72/1440432572.db2.gz OPXUFXGHFYCHOS-WIYYLYMNSA-N 2 0 345.531 3.183 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@]1(C[NH2+]Cc2ccccc2)CCCC[C@@H]1C ZINC001753536034 1440432631 /nfs/dbraw/zinc/43/26/31/1440432631.db2.gz OPXUFXGHFYCHOS-GHTZIAJQSA-N 2 0 345.531 3.183 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001753557606 1440436262 /nfs/dbraw/zinc/43/62/62/1440436262.db2.gz OWUUKRIYZUFTHO-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1CC[NH+](Cc2ccccc2C)CC1 ZINC001753599612 1440446043 /nfs/dbraw/zinc/44/60/43/1440446043.db2.gz RFEFRZYYKBPQCP-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1)[NH+]1CCCCCC1 ZINC001753669196 1440461401 /nfs/dbraw/zinc/46/14/01/1440461401.db2.gz JHJHCNZTPPTJDH-XBMUEBEBSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001753673995 1440462952 /nfs/dbraw/zinc/46/29/52/1440462952.db2.gz ICLRXMXAJXHULO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001753709137 1440470097 /nfs/dbraw/zinc/47/00/97/1440470097.db2.gz SJXURMONNKVRPG-QUCCMNQESA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001753749761 1440482195 /nfs/dbraw/zinc/48/21/95/1440482195.db2.gz PYAJZCIHVIMWJE-RTBURBONSA-N 2 0 337.552 3.029 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001753776360 1440486554 /nfs/dbraw/zinc/48/65/54/1440486554.db2.gz DGXJOQARPDPSGQ-HWYAZIHESA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1 ZINC001753794484 1440489431 /nfs/dbraw/zinc/48/94/31/1440489431.db2.gz CZRBKQMCBBDIAC-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](F)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001753794975 1440489570 /nfs/dbraw/zinc/48/95/70/1440489570.db2.gz FIXIZYBSXSOIBE-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001753800084 1440490662 /nfs/dbraw/zinc/49/06/62/1440490662.db2.gz VBXOBWWEMCEBMY-MJGOQNOKSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(CC[N@H+](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001753823394 1440497133 /nfs/dbraw/zinc/49/71/33/1440497133.db2.gz HJDKQKQVPUEKOH-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CCCCC[N@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001753823841 1440497484 /nfs/dbraw/zinc/49/74/84/1440497484.db2.gz PKKVUTHYIQXOHY-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753852923 1440507667 /nfs/dbraw/zinc/50/76/67/1440507667.db2.gz FCSSEHNSBAUHPJ-YLJYHZDGSA-N 2 0 345.531 3.040 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001753869151 1440516454 /nfs/dbraw/zinc/51/64/54/1440516454.db2.gz IXMAOARXIHYUJP-LJQANCHMSA-N 2 0 345.531 3.404 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001753877382 1440519725 /nfs/dbraw/zinc/51/97/25/1440519725.db2.gz GEMAQHJWPMDWAU-PMACEKPBSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC2CC2)CCCCC1 ZINC001753891450 1440522083 /nfs/dbraw/zinc/52/20/83/1440522083.db2.gz LGAOEWGKOAOJGL-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001753899169 1440523251 /nfs/dbraw/zinc/52/32/51/1440523251.db2.gz HIFAIRLEABBLGR-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001754209110 1440550968 /nfs/dbraw/zinc/55/09/68/1440550968.db2.gz DTDWIPXCHLKBKU-PXPVJAHISA-N 2 0 343.515 3.194 20 0 EGADRP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754236367 1440554954 /nfs/dbraw/zinc/55/49/54/1440554954.db2.gz LVEGSVQRCHXHIS-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754312861 1440574015 /nfs/dbraw/zinc/57/40/15/1440574015.db2.gz JVZWYXMTYGFFMB-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001754335427 1440586223 /nfs/dbraw/zinc/58/62/23/1440586223.db2.gz COTSSBHQXDARNP-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CN(CCC[NH2+]CC1CCCCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001754415780 1440596728 /nfs/dbraw/zinc/59/67/28/1440596728.db2.gz CVZUSXKZVFHKKS-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001754534775 1440623715 /nfs/dbraw/zinc/62/37/15/1440623715.db2.gz BAXPPRHNVKCGAT-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001754557982 1440632553 /nfs/dbraw/zinc/63/25/53/1440632553.db2.gz USFURCXHUJDGJY-NYPGBQQYSA-N 2 0 347.547 3.142 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754673528 1440659045 /nfs/dbraw/zinc/65/90/45/1440659045.db2.gz BUSVQWXAMWWOLI-ZIKMKABXSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001754674776 1440659438 /nfs/dbraw/zinc/65/94/38/1440659438.db2.gz CHEGXKNQEPXGNZ-TZIWHRDSSA-N 2 0 345.531 3.231 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001754679314 1440661425 /nfs/dbraw/zinc/66/14/25/1440661425.db2.gz PHMFKPWGNULOJD-ICSRJNTNSA-N 2 0 331.504 3.060 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754728348 1440677361 /nfs/dbraw/zinc/67/73/61/1440677361.db2.gz UAOAFKKHRLTOIV-LYDDRXCESA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001754732176 1440680248 /nfs/dbraw/zinc/68/02/48/1440680248.db2.gz OYPCRZWBGVWQLS-UYAOXDASSA-N 2 0 337.552 3.127 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734264 1440681533 /nfs/dbraw/zinc/68/15/33/1440681533.db2.gz ULORVTXOHWRYTJ-PRPIBZDOSA-N 2 0 335.536 3.047 20 0 EGADRP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001754735802 1440682263 /nfs/dbraw/zinc/68/22/63/1440682263.db2.gz LAKDUOCABSBERS-NRFANRHFSA-N 2 0 345.531 3.033 20 0 EGADRP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754796647 1440689617 /nfs/dbraw/zinc/68/96/17/1440689617.db2.gz FFLYXLVNWORJDG-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001754831054 1440695169 /nfs/dbraw/zinc/69/51/69/1440695169.db2.gz MMYZEQNXFOAKHV-OKYOBFRVSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC001754869855 1440704646 /nfs/dbraw/zinc/70/46/46/1440704646.db2.gz QTCJWQWZQJCXII-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001754940848 1440711812 /nfs/dbraw/zinc/71/18/12/1440711812.db2.gz XVKAZKWDPJIBKK-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)CC2)[NH+](CC)CC ZINC001754961107 1440717706 /nfs/dbraw/zinc/71/77/06/1440717706.db2.gz IHNKDNUUIGVGBB-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CCC2CCCC2)CCC1)[NH+]1CCCCC1 ZINC001754980633 1440721169 /nfs/dbraw/zinc/72/11/69/1440721169.db2.gz LBMKFEQEMHCQEU-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001754988023 1440723467 /nfs/dbraw/zinc/72/34/67/1440723467.db2.gz OOXSZDPEBPJBQM-ROUUACIJSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC3CCCCCC3)CCC2)C1 ZINC001754991406 1440724448 /nfs/dbraw/zinc/72/44/48/1440724448.db2.gz KULSMHUUPRGPAX-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001754992565 1440724949 /nfs/dbraw/zinc/72/49/49/1440724949.db2.gz IPEJLDQKTLHATP-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCC1 ZINC001754992544 1440724955 /nfs/dbraw/zinc/72/49/55/1440724955.db2.gz HWBSBYBIKZBKIX-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027765 1440729968 /nfs/dbraw/zinc/72/99/68/1440729968.db2.gz GRBTYOXAAVTXOG-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001755028918 1440730273 /nfs/dbraw/zinc/73/02/73/1440730273.db2.gz QVMDXMGVAZCLCB-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001755029918 1440730820 /nfs/dbraw/zinc/73/08/20/1440730820.db2.gz SPUGJFPIXOHSSW-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001755031057 1440731306 /nfs/dbraw/zinc/73/13/06/1440731306.db2.gz MEOAPFWSSZAGCI-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755037325 1440735125 /nfs/dbraw/zinc/73/51/25/1440735125.db2.gz VAMZTHDUZPNXJM-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755069077 1440745956 /nfs/dbraw/zinc/74/59/56/1440745956.db2.gz LEMWLDBZDCLMLV-CTWPCTMYSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001755079409 1440750349 /nfs/dbraw/zinc/75/03/49/1440750349.db2.gz JKKATWOHCMVUDM-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001755121373 1440755564 /nfs/dbraw/zinc/75/55/64/1440755564.db2.gz HKFVCYCTNXUMBG-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001755129042 1440756734 /nfs/dbraw/zinc/75/67/34/1440756734.db2.gz AIPFLRGTZLSMNE-IPLHWJFFSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001755134194 1440757771 /nfs/dbraw/zinc/75/77/71/1440757771.db2.gz QVMJYLGJBYFUIV-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755134972 1440757911 /nfs/dbraw/zinc/75/79/11/1440757911.db2.gz BGNBNFXJBQYGOV-DKFQHHCZSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC2CCCCC2)CC1 ZINC001755135451 1440758070 /nfs/dbraw/zinc/75/80/70/1440758070.db2.gz PSNHZDRJWUBLGO-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755135829 1440758165 /nfs/dbraw/zinc/75/81/65/1440758165.db2.gz FEJCSDZTJNGRSX-SFHVURJKSA-N 2 0 335.536 3.044 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2 ZINC001755176156 1440770771 /nfs/dbraw/zinc/77/07/71/1440770771.db2.gz UOIVSPDJZUPAJF-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001755201291 1440779815 /nfs/dbraw/zinc/77/98/15/1440779815.db2.gz QJWJNJBVUGSLRK-WOJBJXKFSA-N 2 0 345.531 3.401 20 0 EGADRP CC/C=C/CC[NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001755213660 1440783647 /nfs/dbraw/zinc/78/36/47/1440783647.db2.gz OSNWIZFFQHZWDG-SNAWJCMRSA-N 2 0 340.471 3.097 20 0 EGADRP CC/C=C/CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001755281575 1440800818 /nfs/dbraw/zinc/80/08/18/1440800818.db2.gz OMDQQWYDTOXHML-KAGICYHLSA-N 2 0 349.563 3.434 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755286401 1440802115 /nfs/dbraw/zinc/80/21/15/1440802115.db2.gz UNWMNZWUEALSLO-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001755300517 1440808043 /nfs/dbraw/zinc/80/80/43/1440808043.db2.gz RFFSNYRJSMFCCU-MBOZVWFJSA-N 2 0 345.531 3.087 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC2(CCC2)C1 ZINC001755306978 1440811517 /nfs/dbraw/zinc/81/15/17/1440811517.db2.gz WGNDBEXJCSKJCD-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1)c1ccccc1 ZINC001755355452 1440829260 /nfs/dbraw/zinc/82/92/60/1440829260.db2.gz GRUBXDBOOBHGBD-GOSISDBHSA-N 2 0 343.515 3.252 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCC1 ZINC001755368622 1440836401 /nfs/dbraw/zinc/83/64/01/1440836401.db2.gz UCOAACLVNBMMDG-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1F ZINC001755527187 1440866083 /nfs/dbraw/zinc/86/60/83/1440866083.db2.gz XIMPTUGBXOURBP-LPHOPBHVSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001755603804 1440884861 /nfs/dbraw/zinc/88/48/61/1440884861.db2.gz ISGNWKJGZTYNME-ZWKOTPCHSA-N 2 0 345.531 3.088 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755619238 1440889960 /nfs/dbraw/zinc/88/99/60/1440889960.db2.gz UUSQCQLOQWPOBY-PKOBYXMFSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CC/C=C\c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001755658791 1440892364 /nfs/dbraw/zinc/89/23/64/1440892364.db2.gz LRLFDYQUJXRQOR-QJWLNXOLSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001755693821 1440897297 /nfs/dbraw/zinc/89/72/97/1440897297.db2.gz RSNWTJTUZSTOIE-SJLPKXTDSA-N 2 0 337.552 3.122 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCCC1)CC2 ZINC001755704835 1440902015 /nfs/dbraw/zinc/90/20/15/1440902015.db2.gz QVWVILBCIUDYFB-AZUAARDMSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001755722257 1440907984 /nfs/dbraw/zinc/90/79/84/1440907984.db2.gz HEUMSDAVQLYRJT-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001755722976 1440908213 /nfs/dbraw/zinc/90/82/13/1440908213.db2.gz UGTZMFWXVOZYTO-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001755765510 1440916051 /nfs/dbraw/zinc/91/60/51/1440916051.db2.gz QRVBPPOIZDPJBT-YJBOKZPZSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001755817064 1440923945 /nfs/dbraw/zinc/92/39/45/1440923945.db2.gz BKQUDKDFFBZVHL-OALUTQOASA-N 2 0 337.552 3.242 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C)c1ccccc1 ZINC001755833744 1440929622 /nfs/dbraw/zinc/92/96/22/1440929622.db2.gz OWVXMRUJRWTPDE-ZWKOTPCHSA-N 2 0 342.487 3.224 20 0 EGADRP CC(C)[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001755848769 1440934251 /nfs/dbraw/zinc/93/42/51/1440934251.db2.gz YHKVIBLXOHNPKN-KRWDZBQOSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001755865961 1440937815 /nfs/dbraw/zinc/93/78/15/1440937815.db2.gz XSKKTDOOZDTVNS-ACBHZAAOSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CS[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000368462823 168359634 /nfs/dbraw/zinc/35/96/34/168359634.db2.gz QLNSLHNTSHBPBK-SJLPKXTDSA-N 2 0 339.593 3.055 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000368462821 168360010 /nfs/dbraw/zinc/36/00/10/168360010.db2.gz QLNSLHNTSHBPBK-FUHWJXTLSA-N 2 0 339.593 3.055 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000368960484 168386030 /nfs/dbraw/zinc/38/60/30/168386030.db2.gz MTSNUGVSFOPFIR-UHFFFAOYSA-N 2 0 335.398 3.393 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1F ZINC000181034703 529633387 /nfs/dbraw/zinc/63/33/87/529633387.db2.gz MXKJOHPJEXJAIS-SFHVURJKSA-N 2 0 331.435 3.402 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1Cn1cccn1 ZINC000178414204 232159149 /nfs/dbraw/zinc/15/91/49/232159149.db2.gz AIDRLCDRAQFDFU-KRWDZBQOSA-N 2 0 342.487 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000104150129 219353503 /nfs/dbraw/zinc/35/35/03/219353503.db2.gz QCCUUQPIIVVATQ-GOSISDBHSA-N 2 0 347.528 3.048 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000236764830 282912131 /nfs/dbraw/zinc/91/21/31/282912131.db2.gz WAVRIXXPHYOMIH-SJORKVTESA-N 2 0 339.911 3.357 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000265915084 283188212 /nfs/dbraw/zinc/18/82/12/283188212.db2.gz AFJHOGNFGQRLPO-XLIONFOSSA-N 2 0 345.531 3.331 20 0 EGADRP COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415013272 309114200 /nfs/dbraw/zinc/11/42/00/309114200.db2.gz YKNUFGLNUNIWDY-SMDDNHRTSA-N 2 0 327.266 3.065 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070169729 215679687 /nfs/dbraw/zinc/67/96/87/215679687.db2.gz UNDLLOMOHCLVDU-LBPRGKRZSA-N 2 0 327.266 3.019 20 0 EGADRP Cc1noc(C)c1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177493820 241555587 /nfs/dbraw/zinc/55/55/87/241555587.db2.gz LKERFJXYZJXUCE-HUUCEWRRSA-N 2 0 335.492 3.003 20 0 EGADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133113227 223389316 /nfs/dbraw/zinc/38/93/16/223389316.db2.gz PUWPNMULWXZCFZ-LIRRHRJNSA-N 2 0 334.891 3.418 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000236922668 242413352 /nfs/dbraw/zinc/41/33/52/242413352.db2.gz BZNLVNGGQHQJNP-HXUWFJFHSA-N 2 0 339.483 3.235 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000247085779 243369843 /nfs/dbraw/zinc/36/98/43/243369843.db2.gz DGQMQFOQEMDJIG-PXNSSMCTSA-N 2 0 344.499 3.189 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1)C(C)C ZINC000262651299 245098588 /nfs/dbraw/zinc/09/85/88/245098588.db2.gz XPOYUQLWDUUAIR-RBUKOAKNSA-N 2 0 331.504 3.164 20 0 EGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000262689656 245123280 /nfs/dbraw/zinc/12/32/80/245123280.db2.gz ZDBZKRLQLNGCKS-HXUWFJFHSA-N 2 0 339.483 3.151 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000078228668 217031550 /nfs/dbraw/zinc/03/15/50/217031550.db2.gz PAQNOODBTAECLU-UHFFFAOYSA-N 2 0 339.483 3.000 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCC[NH+](C)C2)cc1 ZINC000266201677 248167885 /nfs/dbraw/zinc/16/78/85/248167885.db2.gz WPPUIEKZUDETON-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC[NH+](CC)CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000339468092 284632754 /nfs/dbraw/zinc/63/27/54/284632754.db2.gz WCSYDWWZWZPXKO-UHFFFAOYSA-N 2 0 346.519 3.178 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000344438972 284755009 /nfs/dbraw/zinc/75/50/09/284755009.db2.gz KKKNGQJZLPNZGB-RBUKOAKNSA-N 2 0 333.520 3.162 20 0 EGADRP CN(C)C(=O)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000171920858 227364525 /nfs/dbraw/zinc/36/45/25/227364525.db2.gz BCQVCXWFNXHFRT-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(C)(C)C[NH3+] ZINC000093874448 218254082 /nfs/dbraw/zinc/25/40/82/218254082.db2.gz RIHCVGYAWZISTL-UHFFFAOYSA-N 2 0 332.275 3.239 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000076042086 284788699 /nfs/dbraw/zinc/78/86/99/284788699.db2.gz GSLWRJHISSHUPG-WMZOPIPTSA-N 2 0 333.520 3.162 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000095452474 218396525 /nfs/dbraw/zinc/39/65/25/218396525.db2.gz HUCLPHTWUNDFHI-UHFFFAOYSA-N 2 0 345.531 3.482 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000268789865 252239372 /nfs/dbraw/zinc/23/93/72/252239372.db2.gz XIQJMEDWPHWPQL-DNVCBOLYSA-N 2 0 329.513 3.494 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000268788892 252240183 /nfs/dbraw/zinc/24/01/83/252240183.db2.gz CHPITJYQOLYGEZ-AWEZNQCLSA-N 2 0 326.506 3.036 20 0 EGADRP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000268821209 252270891 /nfs/dbraw/zinc/27/08/91/252270891.db2.gz LWOHIWUCFICXBR-JTDSTZFVSA-N 2 0 332.488 3.162 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000268833791 252283097 /nfs/dbraw/zinc/28/30/97/252283097.db2.gz ARHYHVDERYEFPE-NHCUHLMSSA-N 2 0 329.532 3.330 20 0 EGADRP COc1cc(NC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc(OC)c1 ZINC000129190447 533024686 /nfs/dbraw/zinc/02/46/86/533024686.db2.gz FWNUPGQQGSZEIN-GOSISDBHSA-N 2 0 347.503 3.064 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2c(OC)c1 ZINC000166334644 533145391 /nfs/dbraw/zinc/14/53/91/533145391.db2.gz AKERXEOFJNSKQV-CABCVRRESA-N 2 0 345.487 3.190 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000154405790 224248931 /nfs/dbraw/zinc/24/89/31/224248931.db2.gz QISHCKYRSSTPCW-KDOFPFPSSA-N 2 0 334.485 3.073 20 0 EGADRP C[C@@H](CCSc1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129783158 533648378 /nfs/dbraw/zinc/64/83/78/533648378.db2.gz FTJNYGBPKXCOIH-SFHVURJKSA-N 2 0 335.561 3.127 20 0 EGADRP C[C@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237554356 141007952 /nfs/dbraw/zinc/00/79/52/141007952.db2.gz PFEPKJGABAJVCZ-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@]1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCCC[NH2+]1 ZINC000237597861 141010287 /nfs/dbraw/zinc/01/02/87/141010287.db2.gz GFPNMYXGCYFTAW-NRFANRHFSA-N 2 0 343.515 3.211 20 0 EGADRP C[C@H](CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237634810 141011503 /nfs/dbraw/zinc/01/15/03/141011503.db2.gz SLBMYXCBMZAJFA-QWFCFKBJSA-N 2 0 345.531 3.039 20 0 EGADRP c1cc2c(cc1[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)C1CC1)OCCO2 ZINC000246690936 141025807 /nfs/dbraw/zinc/02/58/07/141025807.db2.gz MVYIXPSPIFCIOI-FUHIMQAGSA-N 2 0 328.456 3.125 20 0 EGADRP CC(C)C[C@@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000341175370 141131586 /nfs/dbraw/zinc/13/15/86/141131586.db2.gz QQGDMQSKIVGZNN-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCn1cccn1)N1CCc2ccccc2C1 ZINC000353354665 141293912 /nfs/dbraw/zinc/29/39/12/141293912.db2.gz PZVHEKBPJYHLQK-GHTZIAJQSA-N 2 0 340.515 3.334 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)C[NH+]1CCCCC1 ZINC000353452578 141299786 /nfs/dbraw/zinc/29/97/86/141299786.db2.gz CENYBGBNQJPXAS-IAGOWNOFSA-N 2 0 327.476 3.040 20 0 EGADRP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000359646039 141396295 /nfs/dbraw/zinc/39/62/95/141396295.db2.gz JZPXGGKIGRVURG-AWEZNQCLSA-N 2 0 344.425 3.044 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000171840722 144011676 /nfs/dbraw/zinc/01/16/76/144011676.db2.gz HCXXZSLEQWWRRP-ZWKOTPCHSA-N 2 0 345.531 3.455 20 0 EGADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178714779 144075615 /nfs/dbraw/zinc/07/56/15/144075615.db2.gz CZLFXDYLKAPAIW-LSDHHAIUSA-N 2 0 330.476 3.081 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000344626906 144201799 /nfs/dbraw/zinc/20/17/99/144201799.db2.gz LOULHSFOQWMYJJ-FUHWJXTLSA-N 2 0 325.456 3.233 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CN(Cc2ccccc2)C1 ZINC000344739463 144217993 /nfs/dbraw/zinc/21/79/93/144217993.db2.gz ULJKXAHGOIFNEL-SJLPKXTDSA-N 2 0 332.488 3.218 20 0 EGADRP CCc1nc(C)cc(N2CCN(Cc3ccc(Cl)s3)CC2)n1 ZINC000341338153 155240834 /nfs/dbraw/zinc/24/08/34/155240834.db2.gz AZHHWVGASAIMIO-UHFFFAOYSA-N 2 0 336.892 3.385 20 0 EGADRP Cc1ccc2nc(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000341402131 155271625 /nfs/dbraw/zinc/27/16/25/155271625.db2.gz JOEPYFQFHOUAAL-IBGZPJMESA-N 2 0 334.467 3.254 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000166034495 286198668 /nfs/dbraw/zinc/19/86/68/286198668.db2.gz UIYUKPMVHOYPRO-HKUYNNGSSA-N 2 0 334.504 3.464 20 0 EGADRP COc1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc(OC)c1OC ZINC000261607924 286221976 /nfs/dbraw/zinc/22/19/76/286221976.db2.gz DCRHIQXSGGYKLC-GDBMZVCRSA-N 2 0 336.476 3.113 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000341495182 155324376 /nfs/dbraw/zinc/32/43/76/155324376.db2.gz YFGSDGUAMLQQHD-ROUUACIJSA-N 2 0 345.531 3.122 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1OC ZINC000121360399 152345961 /nfs/dbraw/zinc/34/59/61/152345961.db2.gz RJANQEFAGQNESZ-PKOBYXMFSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000190772341 153159382 /nfs/dbraw/zinc/15/93/82/153159382.db2.gz IZANXYLYBLWVLU-GOSISDBHSA-N 2 0 326.488 3.474 20 0 EGADRP Cc1ccc([C@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000341612615 155382542 /nfs/dbraw/zinc/38/25/42/155382542.db2.gz JNUKDARLSXHCON-IBGZPJMESA-N 2 0 328.504 3.388 20 0 EGADRP Cc1ccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000341612617 155382605 /nfs/dbraw/zinc/38/26/05/155382605.db2.gz JNUKDARLSXHCON-LJQANCHMSA-N 2 0 328.504 3.388 20 0 EGADRP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192926229 153268627 /nfs/dbraw/zinc/26/86/27/153268627.db2.gz RAJAUYYQPOWYPP-SFHVURJKSA-N 2 0 347.466 3.083 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000193979605 153315623 /nfs/dbraw/zinc/31/56/23/153315623.db2.gz HKLNHMLSJCAKHZ-HSALFYBXSA-N 2 0 344.499 3.064 20 0 EGADRP CC1CCN(C(=[NH2+])NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000341624497 155388748 /nfs/dbraw/zinc/38/87/48/155388748.db2.gz GHNLQXXWMUCHTH-IBGZPJMESA-N 2 0 328.504 3.297 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)c2coc(C[NH3+])c2)CCCC1)c1ccccc1 ZINC000262823750 153856912 /nfs/dbraw/zinc/85/69/12/153856912.db2.gz ZDXMKJBVADDCNK-HNNXBMFYSA-N 2 0 341.455 3.132 20 0 EGADRP CC[C@H](C)C[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000303471734 154046312 /nfs/dbraw/zinc/04/63/12/154046312.db2.gz NTJDKBNIFXNOMI-SFHVURJKSA-N 2 0 345.531 3.007 20 0 EGADRP c1cnn(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC000336815433 154215678 /nfs/dbraw/zinc/21/56/78/154215678.db2.gz ZUOYUSXKWLFCAS-NRFANRHFSA-N 2 0 346.478 3.484 20 0 EGADRP Cc1ccc(C)n1C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337338231 154292350 /nfs/dbraw/zinc/29/23/50/154292350.db2.gz PZCTVIRSMQAGCW-UHFFFAOYSA-N 2 0 346.563 3.158 20 0 EGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000337414890 154341625 /nfs/dbraw/zinc/34/16/25/154341625.db2.gz YQJKZRIZHSBMFM-IBGZPJMESA-N 2 0 332.488 3.066 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000349011534 156316521 /nfs/dbraw/zinc/31/65/21/156316521.db2.gz YQBSNKIHDZUDQE-AEFFLSMTSA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349039480 156328018 /nfs/dbraw/zinc/32/80/18/156328018.db2.gz YEDAUHUDAFFYBL-LJQANCHMSA-N 2 0 346.494 3.155 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352650935 156399291 /nfs/dbraw/zinc/39/92/91/156399291.db2.gz BJJYTUPMJWXVMK-SJORKVTESA-N 2 0 345.487 3.122 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(Cl)cc1F ZINC000368809097 157295306 /nfs/dbraw/zinc/29/53/06/157295306.db2.gz GGNXIQSBTPSQFD-OIISXLGYSA-N 2 0 326.843 3.163 20 0 EGADRP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000112708757 162186129 /nfs/dbraw/zinc/18/61/29/162186129.db2.gz DIULSWNOHNTWCS-GOSISDBHSA-N 2 0 345.531 3.313 20 0 EGADRP CCc1cc(N2CC[NH+](C3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000125764567 162287599 /nfs/dbraw/zinc/28/75/99/162287599.db2.gz LLBPVYRUVIXZEO-UHFFFAOYSA-N 2 0 325.456 3.098 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000126243602 162297809 /nfs/dbraw/zinc/29/78/09/162297809.db2.gz FVUAEBLBRODXFC-CQSZACIVSA-N 2 0 330.451 3.312 20 0 EGADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000248656693 163026530 /nfs/dbraw/zinc/02/65/30/163026530.db2.gz WUSCASLFSLCYSL-SLFFLAALSA-N 2 0 330.516 3.395 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccnn2C)c1 ZINC000338440644 163227844 /nfs/dbraw/zinc/22/78/44/163227844.db2.gz PRJROUUHESHUOY-MSOLQXFVSA-N 2 0 326.488 3.358 20 0 EGADRP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000343753942 164026764 /nfs/dbraw/zinc/02/67/64/164026764.db2.gz VCEFTQRHGARSNL-UONOGXRCSA-N 2 0 344.425 3.103 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000344173922 164119565 /nfs/dbraw/zinc/11/95/65/164119565.db2.gz PTUXMVGDHSUIDF-VQTJNVASSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000345806435 164268968 /nfs/dbraw/zinc/26/89/68/164268968.db2.gz YITXHSUJXZFRDF-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](CC)CC ZINC000346154184 164352276 /nfs/dbraw/zinc/35/22/76/164352276.db2.gz SNLAVGNXSDOIOY-GUDVDZBRSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)(C)OCCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000354850442 166048083 /nfs/dbraw/zinc/04/80/83/166048083.db2.gz MEDGZAWGMCILAF-UHFFFAOYSA-N 2 0 326.525 3.159 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000346496929 164386511 /nfs/dbraw/zinc/38/65/11/164386511.db2.gz WKPZTHRXAOGGMK-JXFKEZNVSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000348676019 164796851 /nfs/dbraw/zinc/79/68/51/164796851.db2.gz BVEHLUZKYNUZJJ-OKZBNKHCSA-N 2 0 334.504 3.076 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000350269136 165023844 /nfs/dbraw/zinc/02/38/44/165023844.db2.gz QSLWIVNNQYDHBL-UHFFFAOYSA-N 2 0 343.309 3.206 20 0 EGADRP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000350946210 165084504 /nfs/dbraw/zinc/08/45/04/165084504.db2.gz BGFRHGXXPWRGAH-SJORKVTESA-N 2 0 345.531 3.088 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000350953831 165085875 /nfs/dbraw/zinc/08/58/75/165085875.db2.gz XAMJBLPNTNFCMO-JKSUJKDBSA-N 2 0 331.460 3.322 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350950247 165086204 /nfs/dbraw/zinc/08/62/04/165086204.db2.gz MEYULCWFLGVVLG-AWEZNQCLSA-N 2 0 337.895 3.249 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000352061619 165215657 /nfs/dbraw/zinc/21/56/57/165215657.db2.gz YLIAHHPLTRUPFU-QUCCMNQESA-N 2 0 345.531 3.276 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000352061617 165216088 /nfs/dbraw/zinc/21/60/88/165216088.db2.gz YLIAHHPLTRUPFU-AZUAARDMSA-N 2 0 345.531 3.276 20 0 EGADRP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000355051678 166093476 /nfs/dbraw/zinc/09/34/76/166093476.db2.gz IJJSTCLSXCPWCX-WOJBJXKFSA-N 2 0 339.483 3.146 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000353502767 165784236 /nfs/dbraw/zinc/78/42/36/165784236.db2.gz RDQTXJRAANEIOB-OXQOHEQNSA-N 2 0 329.488 3.247 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000355117143 166111417 /nfs/dbraw/zinc/11/14/17/166111417.db2.gz IPCSOVDZLHJWKH-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000355406064 166187145 /nfs/dbraw/zinc/18/71/45/166187145.db2.gz BYKOAMQVVYBBBV-HOTGVXAUSA-N 2 0 344.503 3.004 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000355413352 166190218 /nfs/dbraw/zinc/19/02/18/166190218.db2.gz QSICGRDCTURYDN-IAGOWNOFSA-N 2 0 329.488 3.484 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000356810258 166516249 /nfs/dbraw/zinc/51/62/49/166516249.db2.gz KYRVQCDRFSBEBN-IRXDYDNUSA-N 2 0 333.520 3.180 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)c1sccc1C[NH+](C)C)C(C)C ZINC000357543846 166706874 /nfs/dbraw/zinc/70/68/74/166706874.db2.gz VXUFMDKBVTWKBO-UHFFFAOYSA-N 2 0 325.522 3.001 20 0 EGADRP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000359054599 167052470 /nfs/dbraw/zinc/05/24/70/167052470.db2.gz KYENQVJFAVWYRX-PLACYPQZSA-N 2 0 328.500 3.038 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]C[C@@H]2CC=CCC2)[C@H](c2ccccc2)C1 ZINC000359080013 167061372 /nfs/dbraw/zinc/06/13/72/167061372.db2.gz DCUDWHJAQIBFRZ-CTNGQTDRSA-N 2 0 327.516 3.311 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCCCSC)CC1 ZINC000359155566 167083038 /nfs/dbraw/zinc/08/30/38/167083038.db2.gz QHYAJAIARCETOW-UHFFFAOYSA-N 2 0 335.561 3.451 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1)Nc1ccccc1 ZINC000359195577 167091979 /nfs/dbraw/zinc/09/19/79/167091979.db2.gz UDCCSMOHNGEAHH-IBGZPJMESA-N 2 0 344.503 3.052 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000359332517 167128217 /nfs/dbraw/zinc/12/82/17/167128217.db2.gz OIRFIQVDHWSMRU-IBGZPJMESA-N 2 0 331.504 3.240 20 0 EGADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000359549501 167189660 /nfs/dbraw/zinc/18/96/60/167189660.db2.gz WOLMGXOIJPPBRH-QAPCUYQASA-N 2 0 343.471 3.200 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000359890708 167259683 /nfs/dbraw/zinc/25/96/83/167259683.db2.gz VUQAOOFWSFIOJB-YZGWKJHDSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1cc(NCCN2CC[NH+](C)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360278148 167288120 /nfs/dbraw/zinc/28/81/20/167288120.db2.gz IEACGLZBNYGTKI-UHFFFAOYSA-N 2 0 332.879 3.164 20 0 EGADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000360567539 167359594 /nfs/dbraw/zinc/35/95/94/167359594.db2.gz FYTWGXYNRGCVRS-QFIPXVFZSA-N 2 0 349.478 3.368 20 0 EGADRP Cn1nccc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000365927813 168060609 /nfs/dbraw/zinc/06/06/09/168060609.db2.gz MGJIPNKIQIIIHK-HMXCVIKNSA-N 2 0 338.499 3.201 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccnn2C)c1 ZINC000367158825 168186943 /nfs/dbraw/zinc/18/69/43/168186943.db2.gz UKJLJYUURGHKMT-SFHVURJKSA-N 2 0 326.488 3.312 20 0 EGADRP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000367341792 168210917 /nfs/dbraw/zinc/21/09/17/168210917.db2.gz HDVUECODRVPQCO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000367377047 168217513 /nfs/dbraw/zinc/21/75/13/168217513.db2.gz GMYINKDERYTXTR-CYBMUJFWSA-N 2 0 347.846 3.224 20 0 EGADRP CC(C)CNC(=O)c1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000367588281 168245082 /nfs/dbraw/zinc/24/50/82/168245082.db2.gz VVYKCVINYBMQRC-YOFSQIOKSA-N 2 0 343.515 3.129 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)CC1 ZINC000367603463 168247997 /nfs/dbraw/zinc/24/79/97/168247997.db2.gz ZTGDIYQNGWCFSL-PXNSSMCTSA-N 2 0 343.515 3.059 20 0 EGADRP CSc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000367617624 168250709 /nfs/dbraw/zinc/25/07/09/168250709.db2.gz LUNDKBIWCZMUPN-GOSISDBHSA-N 2 0 333.545 3.009 20 0 EGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000158516073 225033511 /nfs/dbraw/zinc/03/35/11/225033511.db2.gz ACPUWKXLOSAXIJ-HNNXBMFYSA-N 2 0 344.890 3.338 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000159116572 225151223 /nfs/dbraw/zinc/15/12/23/225151223.db2.gz IXTDVAIOCWHJAC-CQSZACIVSA-N 2 0 342.430 3.440 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000123662777 222313982 /nfs/dbraw/zinc/31/39/82/222313982.db2.gz UWMWHGQRLWWQMY-HNNXBMFYSA-N 2 0 326.440 3.370 20 0 EGADRP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000177490770 265256834 /nfs/dbraw/zinc/25/68/34/265256834.db2.gz YPEFUZURIAPERS-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000177490755 265257063 /nfs/dbraw/zinc/25/70/63/265257063.db2.gz YPEFUZURIAPERS-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000179008836 265355734 /nfs/dbraw/zinc/35/57/34/265355734.db2.gz OPCDUWPLFIAEIK-KBPBESRZSA-N 2 0 328.859 3.458 20 0 EGADRP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[NH+](C)C ZINC000223973046 266198259 /nfs/dbraw/zinc/19/82/59/266198259.db2.gz GPCVVHFFNZXSSX-HOTGVXAUSA-N 2 0 327.513 3.096 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)C2(C[NH3+])CCCC2)c2ccccc2)CC1 ZINC000236650101 266210161 /nfs/dbraw/zinc/21/01/61/266210161.db2.gz DVYUKXCMFQXBOA-IBGZPJMESA-N 2 0 343.515 3.095 20 0 EGADRP CCCN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CC[NH2+]CC1 ZINC000236850443 266217161 /nfs/dbraw/zinc/21/71/61/266217161.db2.gz JFFJWMWAWFTYRR-UHFFFAOYSA-N 2 0 338.455 3.429 20 0 EGADRP C[C@H](CCc1ccccc1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000250278627 266263567 /nfs/dbraw/zinc/26/35/67/266263567.db2.gz AMKATZZEMWGNJV-HKBOAZHASA-N 2 0 343.559 3.498 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000271367492 266649423 /nfs/dbraw/zinc/64/94/23/266649423.db2.gz GIPKBWHNTBTGFJ-QRFRQXIXSA-N 2 0 334.504 3.481 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000272470875 266849387 /nfs/dbraw/zinc/84/93/87/266849387.db2.gz WXMZTMPAJVSPIJ-UHFFFAOYSA-N 2 0 344.455 3.397 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000272556272 266869513 /nfs/dbraw/zinc/86/95/13/266869513.db2.gz MVQLKUHPQCAWEF-UHFFFAOYSA-N 2 0 326.444 3.090 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274726671 267277778 /nfs/dbraw/zinc/27/77/78/267277778.db2.gz ARZQADIGNORHDD-DVWBAYGPSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274966025 267312631 /nfs/dbraw/zinc/31/26/31/267312631.db2.gz XGZBIBVQTTZCGV-INMHGKMJSA-N 2 0 344.421 3.454 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000277315928 267757791 /nfs/dbraw/zinc/75/77/91/267757791.db2.gz UWWDGSJMTABFHK-QGZVFWFLSA-N 2 0 328.460 3.085 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000278471385 268019910 /nfs/dbraw/zinc/01/99/10/268019910.db2.gz NSPNISXDZBCMIE-SFHVURJKSA-N 2 0 330.472 3.373 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000278556843 268038795 /nfs/dbraw/zinc/03/87/95/268038795.db2.gz WGIUDQUNDWJOIR-FXAWDEMLSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000278556874 268039105 /nfs/dbraw/zinc/03/91/05/268039105.db2.gz WGIUDQUNDWJOIR-XLIONFOSSA-N 2 0 327.516 3.113 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000278562270 268040486 /nfs/dbraw/zinc/04/04/86/268040486.db2.gz PDIIBUDVZBFAOA-OXJNMPFZSA-N 2 0 332.488 3.163 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268882214 274019824 /nfs/dbraw/zinc/01/98/24/274019824.db2.gz WWXGEGIEGNOYET-FQEVSTJZSA-N 2 0 332.488 3.163 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524587 275057558 /nfs/dbraw/zinc/05/75/58/275057558.db2.gz JBFZYZFZVJUQSA-AYOQOUSVSA-N 2 0 334.891 3.322 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000271919924 275241726 /nfs/dbraw/zinc/24/17/26/275241726.db2.gz ZWDQNPJROPHGCV-INIZCTEOSA-N 2 0 339.252 3.427 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000278717457 275268382 /nfs/dbraw/zinc/26/83/82/275268382.db2.gz LZWBURLTLLWHHN-QMMLZNLJSA-N 2 0 329.532 3.344 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279221794 275313839 /nfs/dbraw/zinc/31/38/39/275313839.db2.gz CWQNQIUXBLACOB-LEWJYISDSA-N 2 0 326.484 3.159 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)[NH+]1CCCCC1 ZINC000280071326 275401237 /nfs/dbraw/zinc/40/12/37/275401237.db2.gz ZDUZGNMBTXBIJY-OAHLLOKOSA-N 2 0 347.894 3.275 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000286954850 276062652 /nfs/dbraw/zinc/06/26/52/276062652.db2.gz HPINYDPGHUAFBX-QFBILLFUSA-N 2 0 346.519 3.109 20 0 EGADRP COCC(C)(C)CCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000287046434 276075816 /nfs/dbraw/zinc/07/58/16/276075816.db2.gz IINYZXSQPIMJFU-UHFFFAOYSA-N 2 0 340.431 3.075 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000287100362 276083634 /nfs/dbraw/zinc/08/36/34/276083634.db2.gz QALQSXUIMSPWRL-MOPGFXCFSA-N 2 0 344.503 3.006 20 0 EGADRP CC[NH+]1CCC(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000287183029 276093555 /nfs/dbraw/zinc/09/35/55/276093555.db2.gz VHQXZCWCHBHYAX-HXUWFJFHSA-N 2 0 333.520 3.150 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000289082879 276288582 /nfs/dbraw/zinc/28/85/82/276288582.db2.gz BCKHDXFNJSDFMV-SFHVURJKSA-N 2 0 345.487 3.115 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289211565 276304990 /nfs/dbraw/zinc/30/49/90/276304990.db2.gz KNPNNGPNHFOVDR-FQEVSTJZSA-N 2 0 340.515 3.163 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@]12CCCO2 ZINC000376282847 276344269 /nfs/dbraw/zinc/34/42/69/276344269.db2.gz BSLCLYJHYLLEQL-VAMGGRTRSA-N 2 0 336.520 3.100 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000289556693 276357635 /nfs/dbraw/zinc/35/76/35/276357635.db2.gz YEKCNEPDYISELY-LEWJYISDSA-N 2 0 329.532 3.066 20 0 EGADRP COC(=O)CCCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000289707167 276381314 /nfs/dbraw/zinc/38/13/14/276381314.db2.gz GLPOVBUCFKJQQK-XUVXKRRUSA-N 2 0 344.499 3.220 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCCS2)CC1 ZINC000092411385 277113231 /nfs/dbraw/zinc/11/32/31/277113231.db2.gz AEYNEFMLPAMGLA-AWEZNQCLSA-N 2 0 339.936 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361473366 277353804 /nfs/dbraw/zinc/35/38/04/277353804.db2.gz APVWVOBKEPTCRC-FGTMMUONSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000245546877 278345309 /nfs/dbraw/zinc/34/53/09/278345309.db2.gz VWQUOTAREMFTCB-NQIIRXRSSA-N 2 0 338.499 3.111 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000340587686 279042674 /nfs/dbraw/zinc/04/26/74/279042674.db2.gz DVKPPJFGKLKALN-SJLPKXTDSA-N 2 0 345.512 3.160 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000357111421 279137157 /nfs/dbraw/zinc/13/71/57/279137157.db2.gz NUCYITKQUMZVOX-FGTMMUONSA-N 2 0 345.531 3.406 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000362646662 279154088 /nfs/dbraw/zinc/15/40/88/279154088.db2.gz QAQVRQVYNZEMSA-QUCCMNQESA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1)C(C)C ZINC000262755800 279234627 /nfs/dbraw/zinc/23/46/27/279234627.db2.gz OTUWDNZWNFTZNC-LPHOPBHVSA-N 2 0 331.504 3.259 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000356272695 279305100 /nfs/dbraw/zinc/30/51/00/279305100.db2.gz WLAMBEDNBKGEEI-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000360122732 279366701 /nfs/dbraw/zinc/36/67/01/279366701.db2.gz FMQWGLRWDHJRGF-QGZVFWFLSA-N 2 0 340.556 3.059 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353436364 281247968 /nfs/dbraw/zinc/24/79/68/281247968.db2.gz AXNYEMFMGUPCLH-WOJBJXKFSA-N 2 0 343.515 3.067 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000172648825 289226049 /nfs/dbraw/zinc/22/60/49/289226049.db2.gz QXXUHQDVQKPJJX-IBGZPJMESA-N 2 0 344.503 3.230 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345306931 289603841 /nfs/dbraw/zinc/60/38/41/289603841.db2.gz UPWINWBVJIKDLE-BEFAXECRSA-N 2 0 335.923 3.407 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000365805271 290413124 /nfs/dbraw/zinc/41/31/24/290413124.db2.gz JNNMQLNBWQEKQQ-LAUBAEHRSA-N 3 0 333.564 3.494 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000248062698 295241914 /nfs/dbraw/zinc/24/19/14/295241914.db2.gz YXFOXFIKUODBDI-NLEAXPPASA-N 2 0 345.531 3.150 20 0 EGADRP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C1=CC[N@H+](C)CC1 ZINC000413715890 309044648 /nfs/dbraw/zinc/04/46/48/309044648.db2.gz LBNYYZNFPHYRAZ-QGZVFWFLSA-N 2 0 341.499 3.053 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000052442345 307331879 /nfs/dbraw/zinc/33/18/79/307331879.db2.gz DWDYFYQNAZGJCL-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000134149914 307682389 /nfs/dbraw/zinc/68/23/89/307682389.db2.gz ZBMVUISCVUJDJH-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000414229952 309067762 /nfs/dbraw/zinc/06/77/62/309067762.db2.gz FWJLTHGNYFGMNK-QINHECLXSA-N 2 0 334.504 3.481 20 0 EGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C3CCCCCC3)cc2)CC1 ZINC000414320364 309072853 /nfs/dbraw/zinc/07/28/53/309072853.db2.gz BOBSSXRJZKVJNF-UHFFFAOYSA-N 2 0 343.515 3.196 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000248547224 308005330 /nfs/dbraw/zinc/00/53/30/308005330.db2.gz GAYHQLPOQVPIQG-JRGCBEDISA-N 3 0 329.532 3.217 20 0 EGADRP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)[C@@H](C)C1 ZINC000272315528 308066869 /nfs/dbraw/zinc/06/68/69/308066869.db2.gz USNPXXGFSSFRAD-UWJYYQICSA-N 2 0 345.531 3.033 20 0 EGADRP COC(=O)c1cc2cc(CN3CC[C@]4(C3)CCC[N@H+](C)C4)ccc2o1 ZINC000293007723 308089296 /nfs/dbraw/zinc/08/92/96/308089296.db2.gz PMNVCOLUKXTPFW-HXUWFJFHSA-N 2 0 342.439 3.137 20 0 EGADRP C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259960 308114742 /nfs/dbraw/zinc/11/47/42/308114742.db2.gz GBQCPJUMCYFIOY-DLBZAZTESA-N 2 0 331.504 3.304 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(Cl)c1 ZINC000293761846 308159513 /nfs/dbraw/zinc/15/95/13/308159513.db2.gz SEDUAJPZFQBXOM-UONOGXRCSA-N 2 0 325.884 3.153 20 0 EGADRP Brc1cc2c(s1)CC[C@H]2[NH2+]CCCn1ccnc1 ZINC000293769081 308160305 /nfs/dbraw/zinc/16/03/05/308160305.db2.gz PKVYTQQRJGGKSI-LLVKDONJSA-N 2 0 326.263 3.374 20 0 EGADRP Cc1cccc(CC[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414526231 309086523 /nfs/dbraw/zinc/08/65/23/309086523.db2.gz NZOFDCGUYAGPTB-UHFFFAOYSA-N 2 0 338.495 3.154 20 0 EGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000294448517 308221874 /nfs/dbraw/zinc/22/18/74/308221874.db2.gz YBXGORNMMLBOQP-RXVVDRJESA-N 2 0 338.495 3.477 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000295184117 308300460 /nfs/dbraw/zinc/30/04/60/308300460.db2.gz NDZHQHCHDKAMEV-VQIMIIECSA-N 2 0 339.483 3.240 20 0 EGADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000295302067 308312333 /nfs/dbraw/zinc/31/23/33/308312333.db2.gz XUCPVMLFAHOOSI-AWEZNQCLSA-N 2 0 326.431 3.159 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000295507486 308333935 /nfs/dbraw/zinc/33/39/35/308333935.db2.gz LDAZBQNDCSKVGI-UHFFFAOYSA-N 2 0 338.879 3.290 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000295897475 308372106 /nfs/dbraw/zinc/37/21/06/308372106.db2.gz YUQIWZFHOZWBPK-KNOXWWKRSA-N 2 0 342.527 3.428 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000295916221 308374310 /nfs/dbraw/zinc/37/43/10/308374310.db2.gz ZSMLOHUXQDWSCE-FQEVSTJZSA-N 2 0 337.467 3.272 20 0 EGADRP C[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000295960905 308379216 /nfs/dbraw/zinc/37/92/16/308379216.db2.gz HVTZMXOPBNUUNE-OAHLLOKOSA-N 2 0 339.474 3.026 20 0 EGADRP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1[NH3+] ZINC000414711703 309096729 /nfs/dbraw/zinc/09/67/29/309096729.db2.gz MKNCVMXAIFDCON-CRAIPNDOSA-N 2 0 344.503 3.262 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OCc1ccccc1 ZINC000414664871 309094289 /nfs/dbraw/zinc/09/42/89/309094289.db2.gz ULEBZAWSNZULCU-APWZRJJASA-N 2 0 340.467 3.443 20 0 EGADRP CCCOc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414773092 309099880 /nfs/dbraw/zinc/09/98/80/309099880.db2.gz CWQZMECIOQCCMJ-ZWKOTPCHSA-N 2 0 332.488 3.306 20 0 EGADRP CCCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414773091 309099956 /nfs/dbraw/zinc/09/99/56/309099956.db2.gz CWQZMECIOQCCMJ-ROUUACIJSA-N 2 0 332.488 3.306 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414779857 309100647 /nfs/dbraw/zinc/10/06/47/309100647.db2.gz KSFJJURLLFIIHF-QZTJIDSGSA-N 2 0 332.488 3.306 20 0 EGADRP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782884 309100816 /nfs/dbraw/zinc/10/08/16/309100816.db2.gz PFOKCTFTJLRWBC-IAGOWNOFSA-N 2 0 326.488 3.268 20 0 EGADRP COc1ccc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414794947 309101891 /nfs/dbraw/zinc/10/18/91/309101891.db2.gz GIEHYPGPVRXWTC-XHDPSFHLSA-N 2 0 327.266 3.065 20 0 EGADRP CN(CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000298515522 308620784 /nfs/dbraw/zinc/62/07/84/308620784.db2.gz REVGBVFQGGNJND-UHFFFAOYSA-N 2 0 342.462 3.306 20 0 EGADRP C[C@@H](COc1ccc(F)cc1F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298546939 308623477 /nfs/dbraw/zinc/62/34/77/308623477.db2.gz UEPPFJCTVOIIEK-AWEZNQCLSA-N 2 0 347.409 3.386 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414830936 309104195 /nfs/dbraw/zinc/10/41/95/309104195.db2.gz CRYOFNMEJXMARL-CABCVRRESA-N 2 0 337.895 3.345 20 0 EGADRP CC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1 ZINC000299474180 308676185 /nfs/dbraw/zinc/67/61/85/308676185.db2.gz WMPMMJAWZHOFRM-LJQANCHMSA-N 2 0 348.535 3.053 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414837586 309104901 /nfs/dbraw/zinc/10/49/01/309104901.db2.gz KLZTWNLANZJJSH-CABCVRRESA-N 2 0 337.895 3.345 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414822568 309103730 /nfs/dbraw/zinc/10/37/30/309103730.db2.gz AMKBMZMVKCTZMQ-JSGCOSHPSA-N 2 0 326.868 3.225 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000302057785 308727451 /nfs/dbraw/zinc/72/74/51/308727451.db2.gz AJINYZJVBPQLHD-RDJZCZTQSA-N 2 0 339.524 3.237 20 0 EGADRP COC(=O)c1occc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000332102900 308826464 /nfs/dbraw/zinc/82/64/64/308826464.db2.gz DMCDIAUWCXFGBH-UHFFFAOYSA-N 2 0 334.460 3.199 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333103638 308850074 /nfs/dbraw/zinc/85/00/74/308850074.db2.gz FDZAGKCZCOTRRS-ICSRJNTNSA-N 2 0 328.456 3.460 20 0 EGADRP CNC(=O)CC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411303805 308934312 /nfs/dbraw/zinc/93/43/12/308934312.db2.gz HHHPVSIDIGSCCB-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000412415678 308985530 /nfs/dbraw/zinc/98/55/30/308985530.db2.gz JWBVRDSBSKBJQJ-KRWDZBQOSA-N 2 0 335.492 3.041 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000413060887 309013884 /nfs/dbraw/zinc/01/38/84/309013884.db2.gz LZSQXNQWQZHIOP-HNNXBMFYSA-N 2 0 341.455 3.317 20 0 EGADRP COc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414873414 309106629 /nfs/dbraw/zinc/10/66/29/309106629.db2.gz HFUXRMSXVDTDQV-CQSZACIVSA-N 2 0 332.419 3.098 20 0 EGADRP C[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCC[NH2+]C1 ZINC000414908028 309108656 /nfs/dbraw/zinc/10/86/56/309108656.db2.gz NKZXDHDGWJCZJZ-OAHLLOKOSA-N 2 0 334.357 3.246 20 0 EGADRP COC[C@@]1(C[NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414956181 309111286 /nfs/dbraw/zinc/11/12/86/309111286.db2.gz OGTLGGYRTQMJGZ-YOEHRIQHSA-N 2 0 344.421 3.385 20 0 EGADRP COC[C@]1(C[NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414956177 309111359 /nfs/dbraw/zinc/11/13/59/309111359.db2.gz OGTLGGYRTQMJGZ-RHSMWYFYSA-N 2 0 344.421 3.385 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000414965408 309111998 /nfs/dbraw/zinc/11/19/98/309111998.db2.gz FSJSJODOUIHTAU-LJQANCHMSA-N 2 0 325.456 3.138 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OCC(F)(F)F ZINC000414981575 309112677 /nfs/dbraw/zinc/11/26/77/309112677.db2.gz YBNAFUIYCMKJDE-OAHLLOKOSA-N 2 0 346.393 3.114 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414995956 309113353 /nfs/dbraw/zinc/11/33/53/309113353.db2.gz NZOOYKRBCJIIQB-YPMHNXCESA-N 2 0 340.393 3.199 20 0 EGADRP c1cc(COc2ccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2)ccn1 ZINC000415008138 309113902 /nfs/dbraw/zinc/11/39/02/309113902.db2.gz MNKXRVYIYGLIER-LEWJYISDSA-N 2 0 337.467 3.138 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000415011019 309114057 /nfs/dbraw/zinc/11/40/57/309114057.db2.gz VQSYBEJXSUHDAF-RDJZCZTQSA-N 2 0 335.923 3.412 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415014211 309114477 /nfs/dbraw/zinc/11/44/77/309114477.db2.gz LOSWGPBDQDUIAR-MRXNPFEDSA-N 2 0 328.504 3.464 20 0 EGADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1OCc1ccccc1 ZINC000415018496 309114623 /nfs/dbraw/zinc/11/46/23/309114623.db2.gz GTXYIJJVXQCOHJ-MRXNPFEDSA-N 2 0 328.456 3.491 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000415028507 309115179 /nfs/dbraw/zinc/11/51/79/309115179.db2.gz YXMUMPBMHHREBM-HDJSIYSDSA-N 2 0 330.394 3.482 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000415043417 309116247 /nfs/dbraw/zinc/11/62/47/309116247.db2.gz RWMYWRMIKYIUHX-UONOGXRCSA-N 2 0 338.377 3.108 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000415078096 309118626 /nfs/dbraw/zinc/11/86/26/309118626.db2.gz IGRYYUDSRWPOPP-OKZBNKHCSA-N 2 0 346.515 3.492 20 0 EGADRP FC(F)Oc1ccc(Br)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000415078953 309118697 /nfs/dbraw/zinc/11/86/97/309118697.db2.gz JJHYUWHQQSCEPT-UHFFFAOYSA-N 2 0 349.219 3.140 20 0 EGADRP C[C@]1(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH2+]C1 ZINC000415089500 309119571 /nfs/dbraw/zinc/11/95/71/309119571.db2.gz YBCMBIQCGKUPEB-WMZOPIPTSA-N 2 0 339.886 3.033 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000415108592 309120932 /nfs/dbraw/zinc/12/09/32/309120932.db2.gz MNXNTRZABYFHIK-MRXNPFEDSA-N 2 0 330.394 3.078 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000415112389 309121124 /nfs/dbraw/zinc/12/11/24/309121124.db2.gz SDJATYZFGDJDDD-NHCUHLMSSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415115264 309121337 /nfs/dbraw/zinc/12/13/37/309121337.db2.gz GTZMEHZOBLUVJN-MGPQQGTHSA-N 2 0 325.294 3.358 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415122409 309121811 /nfs/dbraw/zinc/12/18/11/309121811.db2.gz JYYNHPLZBVWTJK-YJBOKZPZSA-N 2 0 338.879 3.067 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415122720 309121972 /nfs/dbraw/zinc/12/19/72/309121972.db2.gz KMLCQMIZMCACNY-MOXGXCLJSA-N 2 0 332.488 3.017 20 0 EGADRP CCOc1c(Cl)cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415124969 309121981 /nfs/dbraw/zinc/12/19/81/309121981.db2.gz KSLQVQADYSBZLO-GXTWGEPZSA-N 2 0 326.868 3.164 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415124004 309122000 /nfs/dbraw/zinc/12/20/00/309122000.db2.gz LYKCLEHYJQHBKF-CTNGQTDRSA-N 2 0 346.515 3.440 20 0 EGADRP CCOc1c(Cl)cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415124973 309122123 /nfs/dbraw/zinc/12/21/23/309122123.db2.gz KSLQVQADYSBZLO-OCCSQVGLSA-N 2 0 326.868 3.164 20 0 EGADRP CC[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)Oc1ccccc1C(F)(F)F ZINC000415126214 309122188 /nfs/dbraw/zinc/12/21/88/309122188.db2.gz UFJGTCUAJAOJOQ-ZIAGYGMSSA-N 2 0 330.394 3.452 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000415130720 309122717 /nfs/dbraw/zinc/12/27/17/309122717.db2.gz RLOQSUQFWNHZPP-IRXDYDNUSA-N 2 0 340.414 3.006 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000415130721 309122760 /nfs/dbraw/zinc/12/27/60/309122760.db2.gz RLOQSUQFWNHZPP-SJORKVTESA-N 2 0 340.414 3.006 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000415133228 309122880 /nfs/dbraw/zinc/12/28/80/309122880.db2.gz UYVPEZUQESFWJH-IAGOWNOFSA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000415138123 309123203 /nfs/dbraw/zinc/12/32/03/309123203.db2.gz GUFTYDFBYOFSAS-UHFFFAOYSA-N 2 0 348.393 3.043 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000415138281 309123293 /nfs/dbraw/zinc/12/32/93/309123293.db2.gz YUXZPYKIYJAYON-APWZRJJASA-N 2 0 325.456 3.077 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000415905828 309147337 /nfs/dbraw/zinc/14/73/37/309147337.db2.gz IZSOTTXBTOCBGI-UHFFFAOYSA-N 2 0 332.492 3.182 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000415912010 309148003 /nfs/dbraw/zinc/14/80/03/309148003.db2.gz FTQNQXWMXXHXJJ-INIZCTEOSA-N 2 0 332.492 3.182 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000415913915 309148066 /nfs/dbraw/zinc/14/80/66/309148066.db2.gz SGFLENNKXNPHGS-UHFFFAOYSA-N 2 0 346.519 3.286 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000415925640 309149079 /nfs/dbraw/zinc/14/90/79/309149079.db2.gz BHOWCTKTKOSXNE-BEFAXECRSA-N 2 0 340.471 3.219 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415928837 309149323 /nfs/dbraw/zinc/14/93/23/309149323.db2.gz GDFYGPZPGFYJRD-HOTGVXAUSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000415930720 309149482 /nfs/dbraw/zinc/14/94/82/309149482.db2.gz JJILPFPNTQQUCM-UHFFFAOYSA-N 2 0 346.519 3.430 20 0 EGADRP CCC(CC)(CNC(=O)N1CCC[C@H]([NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417696205 309218376 /nfs/dbraw/zinc/21/83/76/309218376.db2.gz CDGIWXOUKWYMTG-AEFFLSMTSA-N 2 0 346.519 3.029 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n(C)n1 ZINC000417874090 309226223 /nfs/dbraw/zinc/22/62/23/309226223.db2.gz OZNOASTXTQLOQV-KRWDZBQOSA-N 2 0 326.488 3.393 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417906638 309227887 /nfs/dbraw/zinc/22/78/87/309227887.db2.gz CKQPMUSNSJOXCJ-WBVHZDCISA-N 2 0 349.494 3.186 20 0 EGADRP [NH3+]CCC[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000418439559 309246198 /nfs/dbraw/zinc/24/61/98/309246198.db2.gz GDOSHSBSSYFDPR-IBGZPJMESA-N 2 0 346.519 3.078 20 0 EGADRP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297483 309280015 /nfs/dbraw/zinc/28/00/15/309280015.db2.gz FYMZQIVEXAPHJA-QAJUQPOASA-N 2 0 342.458 3.140 20 0 EGADRP COc1cccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C2CCC(O)CC2)c1 ZINC000420299535 309280100 /nfs/dbraw/zinc/28/01/00/309280100.db2.gz IXLFGZJPSNEFOK-QHGAOEGBSA-N 2 0 346.515 3.190 20 0 EGADRP COc1cc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000420298848 309280294 /nfs/dbraw/zinc/28/02/94/309280294.db2.gz IANQYZKRSIPDLH-AWEZNQCLSA-N 2 0 338.517 3.247 20 0 EGADRP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302571 309280508 /nfs/dbraw/zinc/28/05/08/309280508.db2.gz MRDPGBOKILMBAC-OAHLLOKOSA-N 2 0 337.895 3.380 20 0 EGADRP OCCC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420302267 309280560 /nfs/dbraw/zinc/28/05/60/309280560.db2.gz JKQUXHSTXCAZMT-CYBMUJFWSA-N 2 0 331.287 3.177 20 0 EGADRP COc1ccccc1C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000420320026 309281945 /nfs/dbraw/zinc/28/19/45/309281945.db2.gz QBSQDMCCGXQUSR-IEBWSBKVSA-N 2 0 332.488 3.066 20 0 EGADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420331109 309282534 /nfs/dbraw/zinc/28/25/34/309282534.db2.gz BOAZGKKXQRSGPU-QZTJIDSGSA-N 2 0 337.467 3.100 20 0 EGADRP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420334798 309282828 /nfs/dbraw/zinc/28/28/28/309282828.db2.gz GNINZORRZPDGEK-CABCVRRESA-N 2 0 346.500 3.052 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000420340630 309283317 /nfs/dbraw/zinc/28/33/17/309283317.db2.gz MXPVSPLGRHYRFL-HKUYNNGSSA-N 2 0 343.515 3.403 20 0 EGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1 ZINC000420343488 309283417 /nfs/dbraw/zinc/28/34/17/309283417.db2.gz ZKRJLMJQBQKTFG-KRWDZBQOSA-N 2 0 335.879 3.133 20 0 EGADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345770 309283497 /nfs/dbraw/zinc/28/34/97/309283497.db2.gz WOQHCZBLUBCYQB-SJORKVTESA-N 2 0 343.515 3.244 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344059 309283523 /nfs/dbraw/zinc/28/35/23/309283523.db2.gz RVRDGXOYAPOXQI-ARFHVFGLSA-N 2 0 347.528 3.057 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420346857 309283562 /nfs/dbraw/zinc/28/35/62/309283562.db2.gz ZGTXZTQFGJUIPM-YESZJQIVSA-N 2 0 340.471 3.428 20 0 EGADRP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420370170 309284643 /nfs/dbraw/zinc/28/46/43/309284643.db2.gz YPKNMCQQRJTJGH-ACRUOGEOSA-N 2 0 344.474 3.386 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC[C@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367677 309284684 /nfs/dbraw/zinc/28/46/84/309284684.db2.gz HIQRHSUSFBJAGX-FCEUIQTBSA-N 3 0 341.543 3.363 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420370273 309284797 /nfs/dbraw/zinc/28/47/97/309284797.db2.gz CLXFESKRDKUDPO-TZIWHRDSSA-N 2 0 346.515 3.291 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374170 309285040 /nfs/dbraw/zinc/28/50/40/309285040.db2.gz NONRJNIAKYWLIN-VXKWHMMOSA-N 3 0 341.543 3.363 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CCC([NH+](C)C)CC3)ccc21 ZINC000421165992 309315852 /nfs/dbraw/zinc/31/58/52/309315852.db2.gz YOTDYFGVITXTQK-KVWWFHCMSA-N 2 0 344.503 3.230 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(C)c3C)CC2)CC1 ZINC000421367203 309320679 /nfs/dbraw/zinc/32/06/79/309320679.db2.gz DUNSSOUCUIXEFO-UHFFFAOYSA-N 2 0 329.532 3.295 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C\c3ccc(F)cc3)CC2)CC1 ZINC000421369335 309320985 /nfs/dbraw/zinc/32/09/85/309320985.db2.gz HITCXLRSNIKQIH-HYXAFXHYSA-N 2 0 345.506 3.331 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000421400219 309323122 /nfs/dbraw/zinc/32/31/22/309323122.db2.gz JWBPGEHXTUKBCX-JENIJYKNSA-N 2 0 338.536 3.203 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000421832577 309342310 /nfs/dbraw/zinc/34/23/10/309342310.db2.gz GMBLCHAPROGXMV-YTQUADARSA-N 2 0 338.536 3.082 20 0 EGADRP CON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000421875118 309344534 /nfs/dbraw/zinc/34/45/34/309344534.db2.gz JPNITARJVPCRRL-NJYVYQBISA-N 2 0 343.515 3.045 20 0 EGADRP C[C@@H]([NH2+]CC1(c2ccc(Br)cc2Cl)CC1)C1C[NH2+]C1 ZINC000423136306 309387856 /nfs/dbraw/zinc/38/78/56/309387856.db2.gz PAOWXKWPBAPKNA-SNVBAGLBSA-N 2 0 343.696 3.332 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000422641851 309363056 /nfs/dbraw/zinc/36/30/56/309363056.db2.gz YMZCEYFOZBFFNM-AGIUHOORSA-N 2 0 341.858 3.113 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422701324 309363794 /nfs/dbraw/zinc/36/37/94/309363794.db2.gz DFFITFPASIGZSJ-LPHOPBHVSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422703181 309363865 /nfs/dbraw/zinc/36/38/65/309363865.db2.gz MIZDCBTUJCKLAF-LLVKDONJSA-N 2 0 347.846 3.124 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccccc2C)C2CC2)CC[NH2+]CC1 ZINC000422706272 309364019 /nfs/dbraw/zinc/36/40/19/309364019.db2.gz DTARGRBROVPWEZ-LPHOPBHVSA-N 2 0 344.499 3.357 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000422710387 309364152 /nfs/dbraw/zinc/36/41/52/309364152.db2.gz LCVHLXKBMKLJEN-BZSNNMDCSA-N 2 0 331.504 3.174 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](CC)c2ccccc2)CC[NH2+]CC1 ZINC000422719827 309364796 /nfs/dbraw/zinc/36/47/96/309364796.db2.gz ROLCLFZPHIDCOZ-IAGOWNOFSA-N 2 0 332.488 3.091 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCN(C)c1ccccc1F ZINC000422720060 309364953 /nfs/dbraw/zinc/36/49/53/309364953.db2.gz RZBLFSZYNNVYCF-APWZRJJASA-N 2 0 329.463 3.200 20 0 EGADRP CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422719295 309364987 /nfs/dbraw/zinc/36/49/87/309364987.db2.gz YJHBBBULCOWZFE-IEBWSBKVSA-N 2 0 346.515 3.309 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422725500 309365120 /nfs/dbraw/zinc/36/51/20/309365120.db2.gz YDVILMSDSXHNBD-WFASDCNBSA-N 2 0 326.868 3.225 20 0 EGADRP CCc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000422727064 309365261 /nfs/dbraw/zinc/36/52/61/309365261.db2.gz BLGFXCOVVFQDQR-QVKFZJNVSA-N 2 0 340.515 3.365 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422732311 309365686 /nfs/dbraw/zinc/36/56/86/309365686.db2.gz POQMJHDVORXSOO-GHJWDPDVSA-N 2 0 328.859 3.099 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422734889 309365917 /nfs/dbraw/zinc/36/59/17/309365917.db2.gz URIBHFYTMZUZFE-KZNAEPCWSA-N 2 0 336.907 3.364 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422740504 309365997 /nfs/dbraw/zinc/36/59/97/309365997.db2.gz MWIWSECJONVTIS-KKXYHZGYSA-N 2 0 337.511 3.370 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])CCCCC2)cc1OC ZINC000422738005 309366052 /nfs/dbraw/zinc/36/60/52/309366052.db2.gz YGEIDVAMLHPHCG-DLBZAZTESA-N 2 0 332.488 3.375 20 0 EGADRP Fc1ccc(SCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422755496 309366804 /nfs/dbraw/zinc/36/68/04/309366804.db2.gz IAJUEEDZXPHDER-OKZBNKHCSA-N 2 0 338.492 3.055 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422767574 309367248 /nfs/dbraw/zinc/36/72/48/309367248.db2.gz SWAOPDAJSUKSIE-LRQRDZAKSA-N 2 0 341.474 3.343 20 0 EGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])COCc1ccccc1 ZINC000422771002 309367426 /nfs/dbraw/zinc/36/74/26/309367426.db2.gz XIBXVQSBSWXFDE-OPYAIIAOSA-N 2 0 326.484 3.387 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1 ZINC000422773296 309367484 /nfs/dbraw/zinc/36/74/84/309367484.db2.gz ZSFUKNWWPYTSKG-FKBYEOEOSA-N 2 0 335.495 3.344 20 0 EGADRP Cc1ccc(N2CCC([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000422778755 309367835 /nfs/dbraw/zinc/36/78/35/309367835.db2.gz HTKXVROSEBGUTR-MJGOQNOKSA-N 2 0 330.520 3.259 20 0 EGADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422786682 309368227 /nfs/dbraw/zinc/36/82/27/309368227.db2.gz LGFFSFYWPBMKAA-NUJGCVRESA-N 2 0 328.456 3.011 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422796674 309368803 /nfs/dbraw/zinc/36/88/03/309368803.db2.gz KESXNWLIUVHMNL-QHAWAJNXSA-N 2 0 338.499 3.332 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cc(C)sc2C)CC[NH2+]CC1 ZINC000422800727 309369331 /nfs/dbraw/zinc/36/93/31/309369331.db2.gz ADIQWRDPKYORKM-HIFRSBDPSA-N 2 0 338.517 3.337 20 0 EGADRP c1ccc(C2CCC([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422807811 309369547 /nfs/dbraw/zinc/36/95/47/309369547.db2.gz NGMCAXXAGRUQHR-PTAFHAGTSA-N 2 0 328.500 3.460 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422822440 309370443 /nfs/dbraw/zinc/37/04/43/309370443.db2.gz KAEPVHPXYZVZOO-HSALFYBXSA-N 3 0 345.531 3.027 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c(OC2CCCC2)c1 ZINC000422825483 309370517 /nfs/dbraw/zinc/37/05/17/309370517.db2.gz PRSQCUCBMMZLDK-BEFAXECRSA-N 2 0 332.488 3.494 20 0 EGADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1Br ZINC000422827888 309370595 /nfs/dbraw/zinc/37/05/95/309370595.db2.gz ADSZQTVAIOZJIR-HABKJSAYSA-N 2 0 339.277 3.089 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422839262 309371281 /nfs/dbraw/zinc/37/12/81/309371281.db2.gz ZODVLLIOGPQYGX-FXAWDEMLSA-N 2 0 338.499 3.164 20 0 EGADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422840717 309371412 /nfs/dbraw/zinc/37/14/12/309371412.db2.gz UNILTDFTCTUPNO-SLFFLAALSA-N 2 0 330.516 3.273 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2c(OC)c1 ZINC000422859972 309372339 /nfs/dbraw/zinc/37/23/39/309372339.db2.gz HSFLEFBZWFALBB-RDTXWAMCSA-N 2 0 345.487 3.095 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cc2c(OC)c1 ZINC000422870273 309372849 /nfs/dbraw/zinc/37/28/49/309372849.db2.gz XKVOOIQGOHAOJN-KDOFPFPSSA-N 2 0 345.487 3.225 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])CCOCC2)cc1 ZINC000422876240 309373423 /nfs/dbraw/zinc/37/34/23/309373423.db2.gz FHYDWVABASPKQB-WOJBJXKFSA-N 2 0 346.515 3.383 20 0 EGADRP COCCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422890161 309374409 /nfs/dbraw/zinc/37/44/09/309374409.db2.gz RKQYYKAFAXXDDO-GHTZIAJQSA-N 2 0 344.499 3.429 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422895018 309374913 /nfs/dbraw/zinc/37/49/13/309374913.db2.gz UXBOZRRPVIRUQE-ZLGUVYLKSA-N 2 0 340.467 3.108 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901285 309375188 /nfs/dbraw/zinc/37/51/88/309375188.db2.gz RVKFRTFAYYBNPY-GOEBONIOSA-N 2 0 342.462 3.165 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)Cc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000422918426 309376289 /nfs/dbraw/zinc/37/62/89/309376289.db2.gz IAJXVLJOMPSVIY-MSOLQXFVSA-N 2 0 346.515 3.145 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422958717 309378165 /nfs/dbraw/zinc/37/81/65/309378165.db2.gz YUYHHPBVTXKADJ-ZBFHGGJFSA-N 2 0 330.501 3.115 20 0 EGADRP C[C@H](CCc1ccco1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422961268 309378497 /nfs/dbraw/zinc/37/84/97/309378497.db2.gz BIINIFDXHHQHAL-BPAFIMBUSA-N 2 0 326.440 3.446 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422967119 309378784 /nfs/dbraw/zinc/37/87/84/309378784.db2.gz SLKYRKDLNYAUAD-VQTJNVASSA-N 2 0 326.488 3.363 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccco1 ZINC000422973401 309379080 /nfs/dbraw/zinc/37/90/80/309379080.db2.gz OKVBIZOQVRALTR-BHIYHBOVSA-N 2 0 329.488 3.211 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423013279 309380901 /nfs/dbraw/zinc/38/09/01/309380901.db2.gz MMIPWZCFMPJOTC-OXJNMPFZSA-N 2 0 342.483 3.185 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423013860 309380909 /nfs/dbraw/zinc/38/09/09/309380909.db2.gz NOJKDDWXURBSCZ-VQIMIIECSA-N 2 0 326.488 3.488 20 0 EGADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423014995 309381049 /nfs/dbraw/zinc/38/10/49/309381049.db2.gz JUIIPAUVHHOGEA-PJFSTRORSA-N 2 0 331.435 3.415 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423019429 309381332 /nfs/dbraw/zinc/38/13/32/309381332.db2.gz VOCWJHLUVBNEJA-XUJVJEKNSA-N 2 0 329.282 3.242 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423029252 309381699 /nfs/dbraw/zinc/38/16/99/309381699.db2.gz HWJIBKJHOSMDMZ-APWZRJJASA-N 2 0 326.488 3.488 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423038380 309382435 /nfs/dbraw/zinc/38/24/35/309382435.db2.gz YONUWMYNRJLPBU-SWLSCSKDSA-N 2 0 341.293 3.120 20 0 EGADRP C[C@@H](NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000423046189 309382895 /nfs/dbraw/zinc/38/28/95/309382895.db2.gz FBRBITHZEMCEFE-XOKHGSTOSA-N 2 0 343.437 3.428 20 0 EGADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423053513 309383202 /nfs/dbraw/zinc/38/32/02/309383202.db2.gz SRDQSKIOBNIRGP-CWRNSKLLSA-N 2 0 329.410 3.025 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423058989 309383510 /nfs/dbraw/zinc/38/35/10/309383510.db2.gz DQKVXASBHWFNLN-KGLIPLIRSA-N 2 0 329.410 3.391 20 0 EGADRP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423064898 309383939 /nfs/dbraw/zinc/38/39/39/309383939.db2.gz ZUGGMIRYXJNEFR-WRTQPQOASA-N 2 0 328.500 3.145 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423084515 309385117 /nfs/dbraw/zinc/38/51/17/309385117.db2.gz IDWSEIJKMHHWOC-HZPDHXFCSA-N 2 0 326.488 3.085 20 0 EGADRP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423125248 309387285 /nfs/dbraw/zinc/38/72/85/309387285.db2.gz PYXAJSLLPWXLIH-ZOBORPQBSA-N 2 0 326.893 3.136 20 0 EGADRP C[C@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)[C@@H]1CCC[NH2+]1 ZINC000423128040 309387287 /nfs/dbraw/zinc/38/72/87/309387287.db2.gz UTKFVKVJYVZSRT-FZMZJTMJSA-N 2 0 336.277 3.203 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000423204918 309390264 /nfs/dbraw/zinc/39/02/64/309390264.db2.gz AURIWNVFIJCWGA-QKFMDRJYSA-N 2 0 327.241 3.435 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000423251173 309392390 /nfs/dbraw/zinc/39/23/90/309392390.db2.gz RMPWELPUKNUTGF-RYUDHWBXSA-N 2 0 327.266 3.108 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254406 309392484 /nfs/dbraw/zinc/39/24/84/309392484.db2.gz XYXBNIHSRZJVOO-NWDGAFQWSA-N 2 0 329.257 3.108 20 0 EGADRP C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272182 309393435 /nfs/dbraw/zinc/39/34/35/309393435.db2.gz YWXIAZWEYBDXFR-UZLBHIALSA-N 2 0 333.520 3.185 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000423279671 309393821 /nfs/dbraw/zinc/39/38/21/309393821.db2.gz SQINYCXZUWDWIK-XJKSGUPXSA-N 2 0 343.309 3.362 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423286100 309394136 /nfs/dbraw/zinc/39/41/36/309394136.db2.gz ZOSPUWWNXWFYCC-LESCRADOSA-N 2 0 332.492 3.385 20 0 EGADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423296645 309394375 /nfs/dbraw/zinc/39/43/75/309394375.db2.gz HESSMCNKZQRIGA-HZPDHXFCSA-N 2 0 338.455 3.159 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000423320125 309395008 /nfs/dbraw/zinc/39/50/08/309395008.db2.gz DCFVMCJXIAHAKT-MDZRGWNJSA-N 2 0 329.488 3.388 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423330985 309395629 /nfs/dbraw/zinc/39/56/29/309395629.db2.gz OAPJKDATFNOWNT-SCTDSRPQSA-N 2 0 337.552 3.158 20 0 EGADRP C[C@H]([NH2+]CCCC[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423337389 309396068 /nfs/dbraw/zinc/39/60/68/309396068.db2.gz QVLURKSPUPZVSA-INIZCTEOSA-N 2 0 338.455 3.303 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000423344888 309396320 /nfs/dbraw/zinc/39/63/20/309396320.db2.gz XEZPGCCWQJXSJB-INIZCTEOSA-N 2 0 337.467 3.232 20 0 EGADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423364281 309397167 /nfs/dbraw/zinc/39/71/67/309397167.db2.gz BBLCSXSTYZJPLM-JZXOWHBKSA-N 2 0 331.504 3.092 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423366628 309397306 /nfs/dbraw/zinc/39/73/06/309397306.db2.gz BWRQYJQHPXTWIV-IBGZPJMESA-N 2 0 339.483 3.455 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423373927 309397777 /nfs/dbraw/zinc/39/77/77/309397777.db2.gz WSMMPYCDZMMTJO-WMZOPIPTSA-N 2 0 345.531 3.339 20 0 EGADRP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423383490 309397934 /nfs/dbraw/zinc/39/79/34/309397934.db2.gz JLEXIVFUUQZRTE-QFBILLFUSA-N 2 0 333.520 3.056 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423389209 309398081 /nfs/dbraw/zinc/39/80/81/309398081.db2.gz LGXCANLAHCERBQ-XEYPJELSSA-N 2 0 345.531 3.117 20 0 EGADRP CC(C)C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423392791 309398419 /nfs/dbraw/zinc/39/84/19/309398419.db2.gz QNSGUPMBSCLMMD-DZGCQCFKSA-N 2 0 349.466 3.261 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000423399909 309398574 /nfs/dbraw/zinc/39/85/74/309398574.db2.gz VGEGRPJXIJWTRR-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP COCC1(C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC[NH2+]CC1 ZINC000423404107 309398737 /nfs/dbraw/zinc/39/87/37/309398737.db2.gz ILXXTUCXACIOBN-IBGZPJMESA-N 2 0 341.499 3.460 20 0 EGADRP COCC1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000423406299 309398977 /nfs/dbraw/zinc/39/89/77/309398977.db2.gz KLMKIMSEYDIWGX-INIZCTEOSA-N 2 0 338.879 3.160 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC[NH2+]CC1 ZINC000423410463 309399064 /nfs/dbraw/zinc/39/90/64/309399064.db2.gz RSJPOVZPTNTTJK-KRWDZBQOSA-N 2 0 339.483 3.415 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000423452633 309400958 /nfs/dbraw/zinc/40/09/58/309400958.db2.gz ZJFRZDJDQBEXJS-LWYYNNOASA-N 2 0 342.483 3.146 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423461196 309401137 /nfs/dbraw/zinc/40/11/37/309401137.db2.gz NQAOGMZMPRHHAV-WHDPVNKASA-N 2 0 349.316 3.412 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)C1 ZINC000423502930 309403380 /nfs/dbraw/zinc/40/33/80/309403380.db2.gz FRMNLKYZNHXHGJ-AGOPTVSRSA-N 2 0 341.543 3.375 20 0 EGADRP Cc1nc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000423520628 309404619 /nfs/dbraw/zinc/40/46/19/309404619.db2.gz FJOZQLUSTOTTCC-HNNXBMFYSA-N 2 0 344.528 3.096 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cccnc2)cc1 ZINC000423542223 309405792 /nfs/dbraw/zinc/40/57/92/309405792.db2.gz MEIJWZVWEOOQLE-ZSXHRAQDSA-N 2 0 325.431 3.288 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000423556333 309406209 /nfs/dbraw/zinc/40/62/09/309406209.db2.gz ZAQJORMJBRNCGX-XYVMCAHJSA-N 2 0 349.316 3.284 20 0 EGADRP CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000423860455 309417045 /nfs/dbraw/zinc/41/70/45/309417045.db2.gz MYWWINKJFCIEBH-SJLPKXTDSA-N 2 0 337.552 3.301 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000424447189 309444154 /nfs/dbraw/zinc/44/41/54/309444154.db2.gz URUMVPSBMWHOJF-GOSISDBHSA-N 2 0 344.434 3.017 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000428432923 309550950 /nfs/dbraw/zinc/55/09/50/309550950.db2.gz ADVJLQFPPPZBIK-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430918445 309620838 /nfs/dbraw/zinc/62/08/38/309620838.db2.gz MWFJTVXZPUYTQB-WDEREUQCSA-N 2 0 344.286 3.380 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OCC ZINC000430957528 309622058 /nfs/dbraw/zinc/62/20/58/309622058.db2.gz PFGGSOFBGROXGN-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP Clc1cccc(-c2noc(CC[NH+]3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000431024642 309623663 /nfs/dbraw/zinc/62/36/63/309623663.db2.gz MALQXHADMZOYJC-UHFFFAOYSA-N 2 0 346.862 3.008 20 0 EGADRP Clc1cc(Cl)c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cn2c1 ZINC000431032297 309623889 /nfs/dbraw/zinc/62/38/89/309623889.db2.gz IWGGAZYMKTXKPF-UHFFFAOYSA-N 2 0 339.270 3.217 20 0 EGADRP CCC(CC)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433120894 309679421 /nfs/dbraw/zinc/67/94/21/309679421.db2.gz LQUUSGATUDGWJV-OAQYLSRUSA-N 2 0 345.531 3.483 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000435724570 309738762 /nfs/dbraw/zinc/73/87/62/309738762.db2.gz CQKCUSRDQANMKL-KRWDZBQOSA-N 2 0 326.444 3.017 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000021518732 453676877 /nfs/dbraw/zinc/67/68/77/453676877.db2.gz MZGRGEKBOZUXFX-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000447594600 309983710 /nfs/dbraw/zinc/98/37/10/309983710.db2.gz ZYVSYXKYVGKAAH-CHWSQXEVSA-N 2 0 349.302 3.317 20 0 EGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449105468 310037533 /nfs/dbraw/zinc/03/75/33/310037533.db2.gz ICUSMBHPHHSVAW-ZHALLVOQSA-N 2 0 330.520 3.138 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449130284 310039035 /nfs/dbraw/zinc/03/90/35/310039035.db2.gz GJRKLPFKDODPGW-INIZCTEOSA-N 2 0 344.478 3.436 20 0 EGADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000449312620 310052513 /nfs/dbraw/zinc/05/25/13/310052513.db2.gz RHGVFVAMUHMPHK-CRAIPNDOSA-N 2 0 329.488 3.245 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000449314163 310052527 /nfs/dbraw/zinc/05/25/27/310052527.db2.gz QISBXVDPDVIMDH-IEBWSBKVSA-N 2 0 349.563 3.312 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000449560672 310072224 /nfs/dbraw/zinc/07/22/24/310072224.db2.gz OGEDZBBNBGNSLH-CCNLRDMRSA-N 2 0 332.488 3.158 20 0 EGADRP Cn1nccc1[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000449596152 310074594 /nfs/dbraw/zinc/07/45/94/310074594.db2.gz WXOQASODVKNDDA-XLIONFOSSA-N 2 0 346.519 3.027 20 0 EGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450049812 310100689 /nfs/dbraw/zinc/10/06/89/310100689.db2.gz RDFVEYJQUDLOQH-HXUWFJFHSA-N 2 0 347.547 3.307 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450326633 310115721 /nfs/dbraw/zinc/11/57/21/310115721.db2.gz IIJHSWIKSUYAJU-FGTMMUONSA-N 2 0 343.506 3.302 20 0 EGADRP CCc1ccc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000450343600 310116660 /nfs/dbraw/zinc/11/66/60/310116660.db2.gz YEZIRQXSHFKVDW-QGZVFWFLSA-N 2 0 339.483 3.132 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450459091 310123953 /nfs/dbraw/zinc/12/39/53/310123953.db2.gz ZOXGXXVQTHZDMQ-INIZCTEOSA-N 2 0 340.895 3.281 20 0 EGADRP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000451713640 310194086 /nfs/dbraw/zinc/19/40/86/310194086.db2.gz UWLMIBJLLZGJNK-FQEVSTJZSA-N 2 0 329.532 3.316 20 0 EGADRP COCC[C@@H](c1ccccc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000451837012 310199721 /nfs/dbraw/zinc/19/97/21/310199721.db2.gz IXLPXQKVAWQGBR-NRFANRHFSA-N 2 0 346.515 3.199 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCOc2ccc(C)c(C)c2)CC1 ZINC000451994401 310206966 /nfs/dbraw/zinc/20/69/66/310206966.db2.gz VOWMZZZQQGTCJR-UHFFFAOYSA-N 2 0 347.547 3.078 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccncc1 ZINC000453097913 310257762 /nfs/dbraw/zinc/25/77/62/310257762.db2.gz JHFKBFHVNWWAJQ-OAQYLSRUSA-N 2 0 339.483 3.279 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453107018 310258270 /nfs/dbraw/zinc/25/82/70/310258270.db2.gz HVUARXHATQKTCZ-DNVCBOLYSA-N 2 0 335.923 3.407 20 0 EGADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C ZINC000453113615 310258959 /nfs/dbraw/zinc/25/89/59/310258959.db2.gz UOSKJGARSHEJTD-SFHVURJKSA-N 2 0 347.551 3.183 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)nnn1-c1ccccc1 ZINC000453406450 310275346 /nfs/dbraw/zinc/27/53/46/310275346.db2.gz QYZINVYHSHJLLB-HNNXBMFYSA-N 2 0 327.476 3.101 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000453408747 310275591 /nfs/dbraw/zinc/27/55/91/310275591.db2.gz SWTUXQGXVSCHJW-OAHLLOKOSA-N 2 0 344.503 3.496 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000453423534 310276376 /nfs/dbraw/zinc/27/63/76/310276376.db2.gz NGQRZXGONZZTRA-DLBZAZTESA-N 2 0 334.504 3.483 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCC[N@H+](C)C3CC3)ccc21 ZINC000455846498 310379273 /nfs/dbraw/zinc/37/92/73/310379273.db2.gz INMVSLAYCVYMDV-LJQANCHMSA-N 2 0 344.503 3.231 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455946117 310383094 /nfs/dbraw/zinc/38/30/94/310383094.db2.gz WRMJNGRRBDNSLA-HNAYVOBHSA-N 2 0 344.503 3.231 20 0 EGADRP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C[NH+]1CCCC1 ZINC000455946663 310383167 /nfs/dbraw/zinc/38/31/67/310383167.db2.gz WZIMYZQOSIXWKE-HNAYVOBHSA-N 2 0 344.503 3.089 20 0 EGADRP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+]1CCCCCC1 ZINC000456260098 310395331 /nfs/dbraw/zinc/39/53/31/310395331.db2.gz FEHRFQHZFUIYFK-DNVCBOLYSA-N 2 0 329.488 3.439 20 0 EGADRP FC(F)(F)c1csc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000459419504 310551255 /nfs/dbraw/zinc/55/12/55/310551255.db2.gz ASCDBTILXVLCDR-UHFFFAOYSA-N 2 0 342.390 3.316 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000468428882 310687492 /nfs/dbraw/zinc/68/74/92/310687492.db2.gz RRYHDNLNCNTCBJ-UHFFFAOYSA-N 2 0 340.556 3.014 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)CC(C)C ZINC000469129989 310699905 /nfs/dbraw/zinc/69/99/05/310699905.db2.gz QLFQHDGHKOSHCH-ZWKOTPCHSA-N 2 0 325.541 3.124 20 0 EGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470717342 310725892 /nfs/dbraw/zinc/72/58/92/310725892.db2.gz IVKJEECWLOYKBH-JOCHJYFZSA-N 2 0 340.511 3.407 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000473509956 310776117 /nfs/dbraw/zinc/77/61/17/310776117.db2.gz SIZUWJZWIJSDKB-LJQANCHMSA-N 2 0 331.504 3.430 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000479251481 310871476 /nfs/dbraw/zinc/87/14/76/310871476.db2.gz JNQNCKIFIUORKB-OALUTQOASA-N 2 0 335.923 3.189 20 0 EGADRP COC1(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCCC1 ZINC000483300724 310947066 /nfs/dbraw/zinc/94/70/66/310947066.db2.gz YPDKDSREJJRTMB-QZTJIDSGSA-N 2 0 338.536 3.157 20 0 EGADRP COCCSCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000487919372 311042789 /nfs/dbraw/zinc/04/27/89/311042789.db2.gz PRFUMAPPWQBKDE-ROUUACIJSA-N 2 0 328.566 3.343 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491214283 311168369 /nfs/dbraw/zinc/16/83/69/311168369.db2.gz VWDLZEFPKPUJPG-FGZHOGPDSA-N 2 0 342.527 3.423 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc2)cs1 ZINC000491551071 311184484 /nfs/dbraw/zinc/18/44/84/311184484.db2.gz ZSPYMLCDCHMIJS-AWEZNQCLSA-N 2 0 333.501 3.318 20 0 EGADRP CN(C(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000493286531 311354192 /nfs/dbraw/zinc/35/41/92/311354192.db2.gz PEQHFTZXBZRXRH-MRXNPFEDSA-N 2 0 339.524 3.192 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000502721974 311971619 /nfs/dbraw/zinc/97/16/19/311971619.db2.gz HUHNWBMMZQAAON-FPOVZHCZSA-N 2 0 346.515 3.456 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000506263063 312045937 /nfs/dbraw/zinc/04/59/37/312045937.db2.gz HWJIYHZBYZLUDP-CTNGQTDRSA-N 2 0 345.531 3.324 20 0 EGADRP Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000507464307 312073328 /nfs/dbraw/zinc/07/33/28/312073328.db2.gz WSBPMYATRIYRJS-KSEOMHKRSA-N 2 0 336.479 3.435 20 0 EGADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000507473875 312074142 /nfs/dbraw/zinc/07/41/42/312074142.db2.gz WDCVATYDERCOBY-MRXNPFEDSA-N 2 0 327.472 3.435 20 0 EGADRP C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000510404916 312140035 /nfs/dbraw/zinc/14/00/35/312140035.db2.gz ADNBBEHBJHPIJJ-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000510667557 312145720 /nfs/dbraw/zinc/14/57/20/312145720.db2.gz PUUIIYOWXQEXNI-QGZVFWFLSA-N 2 0 342.483 3.444 20 0 EGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000510669668 312146141 /nfs/dbraw/zinc/14/61/41/312146141.db2.gz LLXOVRNSOCFKOQ-CQSZACIVSA-N 2 0 344.421 3.073 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512649839 312191253 /nfs/dbraw/zinc/19/12/53/312191253.db2.gz UYAAOZGSXINMKW-ALGQRKQJSA-N 2 0 328.500 3.180 20 0 EGADRP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512665688 312191493 /nfs/dbraw/zinc/19/14/93/312191493.db2.gz HBXBWSSRMARKSH-BURNTYAHSA-N 2 0 330.516 3.428 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000515056082 312262988 /nfs/dbraw/zinc/26/29/88/312262988.db2.gz KTTUIPCJHICUAT-JKSUJKDBSA-N 2 0 337.533 3.025 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000516016530 312305909 /nfs/dbraw/zinc/30/59/09/312305909.db2.gz GYSMQIUETVSPNO-MAUKXSAKSA-N 2 0 338.455 3.127 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342861 /nfs/dbraw/zinc/34/28/61/312342861.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000516829585 312343704 /nfs/dbraw/zinc/34/37/04/312343704.db2.gz LOXBBZGGTCOLQM-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC12CC2 ZINC000527876793 312963903 /nfs/dbraw/zinc/96/39/03/312963903.db2.gz MNDTVEVANPXKHD-XLIONFOSSA-N 2 0 328.500 3.482 20 0 EGADRP Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000528188882 313036300 /nfs/dbraw/zinc/03/63/00/313036300.db2.gz HWQFEADHDJQSFF-UHFFFAOYSA-N 2 0 325.456 3.234 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000528370531 313075992 /nfs/dbraw/zinc/07/59/92/313075992.db2.gz FFDQNAHRRZBXLQ-FQEVSTJZSA-N 2 0 336.495 3.435 20 0 EGADRP CCc1nccn1[C@H]1CCC[N@@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375717 313077207 /nfs/dbraw/zinc/07/72/07/313077207.db2.gz CSFUOTIRDNMGIC-ROUUACIJSA-N 2 0 344.503 3.016 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000528392460 313081987 /nfs/dbraw/zinc/08/19/87/313081987.db2.gz CZIBTKVNMMGDIX-UYAOXDASSA-N 2 0 334.479 3.047 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536489863 314117540 /nfs/dbraw/zinc/11/75/40/314117540.db2.gz BZNHXYVFQLPSDX-IBGZPJMESA-N 2 0 335.923 3.335 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2c(C)cccc2C)[C@H](C)C1 ZINC000536876426 314151480 /nfs/dbraw/zinc/15/14/80/314151480.db2.gz KXYVSPIHPKCPDN-UXHICEINSA-N 2 0 348.531 3.409 20 0 EGADRP CC[N@@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@@H](C)C1 ZINC000537446690 314181735 /nfs/dbraw/zinc/18/17/35/314181735.db2.gz YHJJMQMTKWPOJI-GHTZIAJQSA-N 2 0 344.547 3.359 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cnc2cnccn12 ZINC000539861272 314346786 /nfs/dbraw/zinc/34/67/86/314346786.db2.gz IDMDSBARALJZGE-INIZCTEOSA-N 2 0 346.438 3.052 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2)CC1 ZINC000552113976 315199078 /nfs/dbraw/zinc/19/90/78/315199078.db2.gz RVDCTYRLRSDVFH-UHFFFAOYSA-N 2 0 345.531 3.267 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000552252702 315209474 /nfs/dbraw/zinc/20/94/74/315209474.db2.gz UIJUWLPHPHGIAV-ACBHZAAOSA-N 2 0 342.483 3.042 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000552920608 315237695 /nfs/dbraw/zinc/23/76/95/315237695.db2.gz CGCGBVOHPYMRHO-IBGZPJMESA-N 2 0 347.522 3.154 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000553512596 315267716 /nfs/dbraw/zinc/26/77/16/315267716.db2.gz FRPJESYBDQTGOE-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000554724684 315345700 /nfs/dbraw/zinc/34/57/00/315345700.db2.gz NUHOGBCPAGGKKN-BHDDXSALSA-N 2 0 341.543 3.363 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C(C)(C)C2)cc1)C(C)C ZINC000555530561 315388062 /nfs/dbraw/zinc/38/80/62/315388062.db2.gz PQKMNJDVTXMBAN-UHFFFAOYSA-N 2 0 331.504 3.083 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000555571989 315391589 /nfs/dbraw/zinc/39/15/89/315391589.db2.gz HCPWRDKRXNLZHQ-LJQANCHMSA-N 2 0 334.479 3.381 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000562751920 315894274 /nfs/dbraw/zinc/89/42/74/315894274.db2.gz XZMMLVUJPDZIIX-ICSRJNTNSA-N 2 0 332.488 3.194 20 0 EGADRP Cc1ccc2ccccc2c1C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000563361763 316006941 /nfs/dbraw/zinc/00/69/41/316006941.db2.gz QDKDUSZMNNPXDX-UHFFFAOYSA-N 2 0 326.484 3.473 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nccn2Cc2ccccc2)c2ccccc21 ZINC000563528331 316033408 /nfs/dbraw/zinc/03/34/08/316033408.db2.gz XVCVEQQOYQETCA-VQTJNVASSA-N 2 0 332.451 3.208 20 0 EGADRP Cc1nc([C@@H](C)N2CCCO[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670214 316053263 /nfs/dbraw/zinc/05/32/63/316053263.db2.gz MYSYZZVWPBWRIH-CZUORRHYSA-N 2 0 349.862 3.414 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000564211642 316124560 /nfs/dbraw/zinc/12/45/60/316124560.db2.gz VBDROZPWDWCQEK-DNVCBOLYSA-N 2 0 333.545 3.011 20 0 EGADRP CC(C)c1[nH+]c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccn21 ZINC000564217229 316125481 /nfs/dbraw/zinc/12/54/81/316125481.db2.gz DMNLQWCLCIQMII-WMZOPIPTSA-N 2 0 326.488 3.374 20 0 EGADRP CSC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2)CC[NH+](C)CC1 ZINC000564616072 316175898 /nfs/dbraw/zinc/17/58/98/316175898.db2.gz NYSXFOSCWIPSBJ-INIZCTEOSA-N 2 0 349.544 3.129 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc21 ZINC000565039820 316254421 /nfs/dbraw/zinc/25/44/21/316254421.db2.gz BKYRDLHPUDCYHQ-FUHWJXTLSA-N 2 0 342.487 3.049 20 0 EGADRP [NH3+][C@@H](CCC(=O)Nc1cccc2c1CC[NH2+]C2)CC1CCCCC1 ZINC000565299739 316306443 /nfs/dbraw/zinc/30/64/43/316306443.db2.gz ZSPSOWINQWMXAP-KRWDZBQOSA-N 2 0 329.488 3.349 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000566849852 316535767 /nfs/dbraw/zinc/53/57/67/316535767.db2.gz RIGXJBBQNYZBCO-CYBMUJFWSA-N 2 0 345.409 3.400 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@H]3CCC[NH2+]3)ccc21 ZINC000567265439 316592358 /nfs/dbraw/zinc/59/23/58/316592358.db2.gz SWVPRJGHDPGEEG-QGZVFWFLSA-N 2 0 342.487 3.064 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)Cc3ccc(F)cc3)CC2)C1 ZINC000570312373 317038798 /nfs/dbraw/zinc/03/87/98/317038798.db2.gz OZDVYYLVZTZENG-MAODMQOUSA-N 2 0 348.506 3.362 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000570678697 317092740 /nfs/dbraw/zinc/09/27/40/317092740.db2.gz FHVMHHVQUVOZNJ-GUDVDZBRSA-N 2 0 335.536 3.009 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCOC3(C)C)CC2)c1 ZINC000573550213 317500313 /nfs/dbraw/zinc/50/03/13/317500313.db2.gz QPXJKSHYAWVHOF-FQEVSTJZSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000573815386 317532211 /nfs/dbraw/zinc/53/22/11/317532211.db2.gz PUEJYFRIQWXFDM-YJLNNSPDSA-N 2 0 338.455 3.254 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000174047005 323300923 /nfs/dbraw/zinc/30/09/23/323300923.db2.gz SVHRKSRRNSVCFJ-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(F)cc3cccnc32)C[C@H](C)O1 ZINC000177749801 323345193 /nfs/dbraw/zinc/34/51/93/323345193.db2.gz ICYYRKSFMBNZEM-IYBDPMFKSA-N 2 0 345.462 3.353 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000178619871 323359288 /nfs/dbraw/zinc/35/92/88/323359288.db2.gz NZDYHPKCBXUCOR-KBPBESRZSA-N 2 0 328.859 3.458 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000182785484 323575800 /nfs/dbraw/zinc/57/58/00/323575800.db2.gz OBPXUQMLNLYPHP-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1Br ZINC000388769634 324276751 /nfs/dbraw/zinc/27/67/51/324276751.db2.gz OWRFGHAVVQOIAW-VXGBXAGGSA-N 2 0 329.282 3.306 20 0 EGADRP [NH3+]CCC1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000575130101 324423750 /nfs/dbraw/zinc/42/37/50/324423750.db2.gz JYZMDVYPHMHRRH-UHFFFAOYSA-N 2 0 343.515 3.413 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000578765159 325016256 /nfs/dbraw/zinc/01/62/56/325016256.db2.gz KEFRHKYDCFUMDM-POAQFYNOSA-N 2 0 343.515 3.236 20 0 EGADRP CSc1cc(Br)ccc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000578903684 325035487 /nfs/dbraw/zinc/03/54/87/325035487.db2.gz RWAYEEMZWRAJFH-MFKMUULPSA-N 2 0 329.307 3.483 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000578994875 325047231 /nfs/dbraw/zinc/04/72/31/325047231.db2.gz VPLCYVAULHQCHF-RBSFLKMASA-N 2 0 340.414 3.307 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccn2c(C)cnc2c1)c1ccco1 ZINC000579001197 325048634 /nfs/dbraw/zinc/04/86/34/325048634.db2.gz IIPHJOVSHNOMIE-MRXNPFEDSA-N 2 0 340.427 3.049 20 0 EGADRP COc1sc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1Br ZINC000579009209 325049977 /nfs/dbraw/zinc/04/99/77/325049977.db2.gz OVDWSRGVEBWZHJ-UHFFFAOYSA-N 2 0 341.274 3.268 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000580644425 325278302 /nfs/dbraw/zinc/27/83/02/325278302.db2.gz QFJFKVPUNCYAIJ-MJGOQNOKSA-N 2 0 345.531 3.341 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000580947699 325312813 /nfs/dbraw/zinc/31/28/13/325312813.db2.gz YRWZBKXQEFOSCE-HXUWFJFHSA-N 2 0 346.515 3.040 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000580976059 325316288 /nfs/dbraw/zinc/31/62/88/325316288.db2.gz SHTOCPXCAFKTAL-BQJUDKOJSA-N 2 0 328.500 3.446 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000581894676 325397303 /nfs/dbraw/zinc/39/73/03/325397303.db2.gz BNLNFFSXNMQMGI-BRWVUGGUSA-N 2 0 341.421 3.139 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000581938898 325400342 /nfs/dbraw/zinc/40/03/42/325400342.db2.gz ZYZLJSZBNLCVNB-QZTJIDSGSA-N 2 0 331.504 3.363 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000582581255 325452546 /nfs/dbraw/zinc/45/25/46/325452546.db2.gz UAXLALVNHWCJPM-OAHLLOKOSA-N 2 0 344.503 3.353 20 0 EGADRP Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1F ZINC000583088894 325494466 /nfs/dbraw/zinc/49/44/66/325494466.db2.gz AQVAWWDEPNVTLG-VQTJNVASSA-N 2 0 344.405 3.230 20 0 EGADRP CC[C@@H](C)[C@H](C)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000183084851 455225322 /nfs/dbraw/zinc/22/53/22/455225322.db2.gz HXOPMBMJCCTCHD-AEFFLSMTSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccsc2S1 ZINC000361965479 457981123 /nfs/dbraw/zinc/98/11/23/457981123.db2.gz DBLQHNHSFSUHSU-CJNGLKHVSA-N 2 0 339.574 3.289 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495435391 458856742 /nfs/dbraw/zinc/85/67/42/458856742.db2.gz ZMWWOSWTBRQIPZ-UHFFFAOYSA-N 2 0 327.513 3.094 20 0 EGADRP C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000594966617 459198517 /nfs/dbraw/zinc/19/85/17/459198517.db2.gz NJRVVRPIOYFCSH-ZJBJCVSYSA-N 2 0 326.550 3.063 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCOCC(F)F ZINC000189950466 455259626 /nfs/dbraw/zinc/25/96/26/455259626.db2.gz RQFMDHHTCIWALJ-MVVMVCHASA-N 2 0 326.431 3.014 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000173318114 455264817 /nfs/dbraw/zinc/26/48/17/455264817.db2.gz QWDXBOAQFJOAQF-ZDUSSCGKSA-N 2 0 329.282 3.068 20 0 EGADRP C[C@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000158179186 455277178 /nfs/dbraw/zinc/27/71/78/455277178.db2.gz SUUJOKQMAXMTCY-VLCRHTCISA-N 2 0 338.495 3.233 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245439319 455300732 /nfs/dbraw/zinc/30/07/32/455300732.db2.gz ZJWNCFWLHYKYQG-BRWVUGGUSA-N 2 0 335.536 3.161 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000158704310 455324162 /nfs/dbraw/zinc/32/41/62/455324162.db2.gz NSDJEPIREODMLD-KRWDZBQOSA-N 2 0 326.488 3.088 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)CCc2ccccc2)CC[NH2+]CC1 ZINC000600712728 460574977 /nfs/dbraw/zinc/57/49/77/460574977.db2.gz XOXQOBIZEHXWAY-IEBWSBKVSA-N 2 0 346.515 3.309 20 0 EGADRP CC1CC[NH+](C[C@H](O)CN[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158954876 455340933 /nfs/dbraw/zinc/34/09/33/455340933.db2.gz OICXFCFZTCNCGJ-IEBWSBKVSA-N 2 0 344.499 3.115 20 0 EGADRP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1)O[C@@H](C)C2 ZINC000017319503 453633652 /nfs/dbraw/zinc/63/36/52/453633652.db2.gz VECJPXXNADTRTR-HNNXBMFYSA-N 2 0 340.467 3.370 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000022153140 453687460 /nfs/dbraw/zinc/68/74/60/453687460.db2.gz WMXVZSXRNDQRMG-ZDUSSCGKSA-N 2 0 330.303 3.282 20 0 EGADRP C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000066531354 453850833 /nfs/dbraw/zinc/85/08/33/453850833.db2.gz KUSISZKUZLSZIO-ROUUACIJSA-N 2 0 343.515 3.162 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(Br)c1 ZINC000181700253 455374454 /nfs/dbraw/zinc/37/44/54/455374454.db2.gz BNZYZYAPKODFGB-GFCCVEGCSA-N 2 0 341.293 3.450 20 0 EGADRP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524088 454064622 /nfs/dbraw/zinc/06/46/22/454064622.db2.gz HODATJSKSLKPDS-IRXDYDNUSA-N 2 0 343.515 3.016 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(Br)c2)CC1 ZINC000044517752 454104850 /nfs/dbraw/zinc/10/48/50/454104850.db2.gz KWQHXQYYLIQFNW-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888642 454155447 /nfs/dbraw/zinc/15/54/47/454155447.db2.gz LYWBJUYDNTZMBG-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000130527791 454203060 /nfs/dbraw/zinc/20/30/60/454203060.db2.gz MIELNIOMLQIJPV-KRWDZBQOSA-N 2 0 343.515 3.067 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000131588595 454268102 /nfs/dbraw/zinc/26/81/02/454268102.db2.gz HYARICRSHXPYMU-KSZLIROESA-N 2 0 345.531 3.358 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000090716068 454337673 /nfs/dbraw/zinc/33/76/73/454337673.db2.gz ZEZJZLZGKAGCNB-CJNGLKHVSA-N 2 0 330.394 3.195 20 0 EGADRP c1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)nc1 ZINC000090802749 454341633 /nfs/dbraw/zinc/34/16/33/454341633.db2.gz FGPMGAMIZGXLAZ-SFHVURJKSA-N 2 0 328.504 3.047 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3sccc32)ccn1 ZINC000090936961 454351944 /nfs/dbraw/zinc/35/19/44/454351944.db2.gz ZOYNABQVARRWHK-INIZCTEOSA-N 2 0 331.485 3.251 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000090936868 454352136 /nfs/dbraw/zinc/35/21/36/454352136.db2.gz YYWLEHYFLZSRDH-CYBMUJFWSA-N 2 0 335.398 3.151 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120995287 454375354 /nfs/dbraw/zinc/37/53/54/454375354.db2.gz VDNFSTKNBIPTGN-ROUUACIJSA-N 2 0 333.520 3.008 20 0 EGADRP CN(C)[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000132931159 454378289 /nfs/dbraw/zinc/37/82/89/454378289.db2.gz YWLZCSWXJOQHHO-QFIPXVFZSA-N 2 0 337.511 3.418 20 0 EGADRP C[C@@H]1OCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000121099346 454392040 /nfs/dbraw/zinc/39/20/40/454392040.db2.gz VNMRGUVAPDSATP-RXVVDRJESA-N 2 0 330.516 3.488 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)Cn1ccnc1C)CCCO2 ZINC000121423014 454433552 /nfs/dbraw/zinc/43/35/52/454433552.db2.gz WXHZGPYVNKXVCR-KSSFIOAISA-N 2 0 329.444 3.340 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000063710996 454439734 /nfs/dbraw/zinc/43/97/34/454439734.db2.gz FBDZSRJYZCEBAJ-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000133650609 454450895 /nfs/dbraw/zinc/45/08/95/454450895.db2.gz IZSQWDAIDZTJNK-IOASZLSFSA-N 2 0 341.293 3.146 20 0 EGADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121743642 454471939 /nfs/dbraw/zinc/47/19/39/454471939.db2.gz KTRLGPBCOFKHBA-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OC ZINC000133905837 454481064 /nfs/dbraw/zinc/48/10/64/454481064.db2.gz JEQCJUONHGWZOG-LZLYRXPVSA-N 2 0 334.504 3.345 20 0 EGADRP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000121838907 454483905 /nfs/dbraw/zinc/48/39/05/454483905.db2.gz YFGQRJMZOLQWEE-WCIQWLHISA-N 2 0 326.484 3.198 20 0 EGADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066752 454512265 /nfs/dbraw/zinc/51/22/65/454512265.db2.gz UQYLTIOMJZFZDP-VQIMIIECSA-N 2 0 344.499 3.461 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092740500 454622740 /nfs/dbraw/zinc/62/27/40/454622740.db2.gz ODGJVGUAARCCDK-DZGCQCFKSA-N 2 0 325.522 3.023 20 0 EGADRP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000123391365 454632045 /nfs/dbraw/zinc/63/20/45/454632045.db2.gz CUPWHPAWOCDVBB-BZSNNMDCSA-N 2 0 345.531 3.169 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000065976514 454646548 /nfs/dbraw/zinc/64/65/48/454646548.db2.gz SATAEMNCPYFFDW-UHFFFAOYSA-N 2 0 349.482 3.397 20 0 EGADRP Cc1ccccc1OCCC[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123565893 454653050 /nfs/dbraw/zinc/65/30/50/454653050.db2.gz PVKQQLHGUPUCJX-GOSISDBHSA-N 2 0 327.472 3.452 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000635003881 460646529 /nfs/dbraw/zinc/64/65/29/460646529.db2.gz CGHSZUYGQZAKMA-NOLJZWGESA-N 2 0 347.894 3.397 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000052208814 454661291 /nfs/dbraw/zinc/66/12/91/454661291.db2.gz LALFDZUZYSQPJT-UHFFFAOYSA-N 2 0 343.515 3.020 20 0 EGADRP C[C@H]([NH2+]CCN1CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123951062 454689587 /nfs/dbraw/zinc/68/95/87/454689587.db2.gz NRBYWZHQYWDCAY-SFHVURJKSA-N 2 0 333.520 3.154 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000152666188 454709298 /nfs/dbraw/zinc/70/92/98/454709298.db2.gz SJFQEXNMMIYOND-FUHIMQAGSA-N 2 0 346.515 3.062 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCCNc1ccccn1)c1ccccc1 ZINC000136170687 454725265 /nfs/dbraw/zinc/72/52/65/454725265.db2.gz XPZPGUBNGBAYJP-LJQANCHMSA-N 2 0 340.471 3.083 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000635006758 460650792 /nfs/dbraw/zinc/65/07/92/460650792.db2.gz SMYUUNAQQRBJNS-JFZIVLOISA-N 3 0 341.543 3.394 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635007836 460651520 /nfs/dbraw/zinc/65/15/20/460651520.db2.gz BNDHPJDAIQKLMJ-OCCSQVGLSA-N 2 0 325.522 3.069 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)cc1 ZINC000124545755 454746221 /nfs/dbraw/zinc/74/62/21/454746221.db2.gz GCDBYOCHMHUKAJ-QFIPXVFZSA-N 2 0 343.559 3.179 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)C1CCCC1 ZINC000162042777 454747702 /nfs/dbraw/zinc/74/77/02/454747702.db2.gz LZNKDNHUKLSLPT-KRWDZBQOSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000124651987 454756532 /nfs/dbraw/zinc/75/65/32/454756532.db2.gz PYFKCQBKQNSSEL-HKUYNNGSSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000124817358 454772980 /nfs/dbraw/zinc/77/29/80/454772980.db2.gz DIKYXQXVOAKZGW-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(OCC[NH+](C)C)cc1 ZINC000124834028 454774481 /nfs/dbraw/zinc/77/44/81/454774481.db2.gz BHRBTZORXSKNAB-YGWPLHOASA-N 2 0 332.488 3.235 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(OCC[NH+](C)C)cc1 ZINC000124834524 454774751 /nfs/dbraw/zinc/77/47/51/454774751.db2.gz BHRBTZORXSKNAB-JOCLIGHLSA-N 2 0 332.488 3.235 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000162530611 454782096 /nfs/dbraw/zinc/78/20/96/454782096.db2.gz NALYHMNOWCIEHD-IBGZPJMESA-N 2 0 335.923 3.335 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000137729225 454784628 /nfs/dbraw/zinc/78/46/28/454784628.db2.gz RCDLANQEYDSOTL-KRWDZBQOSA-N 2 0 347.503 3.078 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000635011616 460654647 /nfs/dbraw/zinc/65/46/47/460654647.db2.gz OGIYHWQWFITVFC-MRXNPFEDSA-N 2 0 337.458 3.301 20 0 EGADRP COCC[N@H+](C)CCCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000153741542 454828010 /nfs/dbraw/zinc/82/80/10/454828010.db2.gz MTUHICXDRSAQGE-MRXNPFEDSA-N 2 0 326.868 3.112 20 0 EGADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163181624 454828460 /nfs/dbraw/zinc/82/84/60/454828460.db2.gz LPXOZRYYTLLPOS-LAUBAEHRSA-N 2 0 342.483 3.320 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)CCCO2 ZINC000635012047 460656071 /nfs/dbraw/zinc/65/60/71/460656071.db2.gz SQVUIRKALCQWIX-HXUWFJFHSA-N 2 0 338.451 3.344 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000111094671 454857314 /nfs/dbraw/zinc/85/73/14/454857314.db2.gz YHUYCMOSTTUSNT-LJQANCHMSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000125990109 454861933 /nfs/dbraw/zinc/86/19/33/454861933.db2.gz YZVCISVBAKLDBF-IRXDYDNUSA-N 2 0 327.476 3.038 20 0 EGADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000177425905 454862657 /nfs/dbraw/zinc/86/26/57/454862657.db2.gz SOLNROZVMDEMGO-GOSISDBHSA-N 2 0 345.531 3.263 20 0 EGADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000177426621 454863002 /nfs/dbraw/zinc/86/30/02/454863002.db2.gz VFXUMMAPNKKEKF-MSOLQXFVSA-N 2 0 345.531 3.406 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1(C)CC1 ZINC000163969503 454870008 /nfs/dbraw/zinc/87/00/08/454870008.db2.gz FEYRKQNKGOIECN-QGZVFWFLSA-N 2 0 346.515 3.454 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000164606788 454886045 /nfs/dbraw/zinc/88/60/45/454886045.db2.gz NUECUSDUTCWCLV-PMACEKPBSA-N 2 0 345.531 3.441 20 0 EGADRP CCOc1cc2c(cc1CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)O[C@H](C)C2 ZINC000126663460 454909765 /nfs/dbraw/zinc/90/97/65/454909765.db2.gz YEUNPHQEGSDRNY-ZTFGCOKTSA-N 2 0 330.472 3.125 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000127096166 454938159 /nfs/dbraw/zinc/93/81/59/454938159.db2.gz WOOVAVZRYMWZQW-ZGXWSNOMSA-N 2 0 340.552 3.308 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114455821 454955762 /nfs/dbraw/zinc/95/57/62/454955762.db2.gz ARXHWZJEGWEOLY-GOSISDBHSA-N 2 0 345.531 3.285 20 0 EGADRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000127407242 454961943 /nfs/dbraw/zinc/96/19/43/454961943.db2.gz LZYOPJDJHCJJNX-UGKGYDQZSA-N 2 0 337.511 3.196 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000155733925 455038374 /nfs/dbraw/zinc/03/83/74/455038374.db2.gz QVOAWZXGCBBYSO-FPOVZHCZSA-N 2 0 331.548 3.178 20 0 EGADRP C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)nc2)CC1 ZINC000128543156 455065683 /nfs/dbraw/zinc/06/56/83/455065683.db2.gz CMTQRTRPEJJADB-UONOGXRCSA-N 2 0 342.409 3.366 20 0 EGADRP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152341724 455104703 /nfs/dbraw/zinc/10/47/03/455104703.db2.gz VVJRQNSIXQMWQF-FQEVSTJZSA-N 2 0 339.483 3.434 20 0 EGADRP CN(CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC(F)(F)F ZINC000156352032 455108410 /nfs/dbraw/zinc/10/84/10/455108410.db2.gz PKKOOCMZEGGWLA-UHFFFAOYSA-N 2 0 335.458 3.257 20 0 EGADRP COC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152445291 455120261 /nfs/dbraw/zinc/12/02/61/455120261.db2.gz SBOODPNSBMOFJF-CXAGYDPISA-N 2 0 342.405 3.467 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CCOCC2)cc1 ZINC000152449628 455121194 /nfs/dbraw/zinc/12/11/94/455121194.db2.gz UXTPYFQEYVNZKV-IEBWSBKVSA-N 2 0 346.515 3.206 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000623656473 460663429 /nfs/dbraw/zinc/66/34/29/460663429.db2.gz VEGFRIWFSMVPCI-HNNXBMFYSA-N 2 0 330.394 3.449 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156735822 455147545 /nfs/dbraw/zinc/14/75/45/455147545.db2.gz DTYSWQHKNVLCHL-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237378470 455179173 /nfs/dbraw/zinc/17/91/73/455179173.db2.gz SXSSPFGMHXQAPL-UYAOXDASSA-N 2 0 345.531 3.407 20 0 EGADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237397226 455181294 /nfs/dbraw/zinc/18/12/94/455181294.db2.gz BHYUEASTMJZXII-YLJYHZDGSA-N 2 0 339.483 3.103 20 0 EGADRP C[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000172809655 455190483 /nfs/dbraw/zinc/19/04/83/455190483.db2.gz BZGCVJZFNVMBDF-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000237515177 455191232 /nfs/dbraw/zinc/19/12/32/455191232.db2.gz GZBIMRYSGYSOHQ-LJQANCHMSA-N 2 0 329.532 3.015 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCCCC[NH3+])cc2)C1 ZINC000237552950 455194430 /nfs/dbraw/zinc/19/44/30/455194430.db2.gz HHCQNUNPDCRPGF-GOSISDBHSA-N 2 0 345.531 3.444 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)C1 ZINC000237688332 455207774 /nfs/dbraw/zinc/20/77/74/455207774.db2.gz SAFJIBALQLGSDO-CALCHBBNSA-N 2 0 326.488 3.188 20 0 EGADRP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173491522 455293186 /nfs/dbraw/zinc/29/31/86/455293186.db2.gz QGVQIMKOOSVQLA-GOSISDBHSA-N 2 0 329.488 3.274 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccco1 ZINC000245202109 455279924 /nfs/dbraw/zinc/27/99/24/455279924.db2.gz PVBBXYFKJLZLNO-LUKYLMHMSA-N 2 0 335.492 3.040 20 0 EGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000265353248 455311879 /nfs/dbraw/zinc/31/18/79/455311879.db2.gz XXDMTDDOZUPACR-IBGZPJMESA-N 2 0 343.515 3.086 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000245562762 455331993 /nfs/dbraw/zinc/33/19/93/455331993.db2.gz PICGCFLWGCWEEL-YLJYHZDGSA-N 2 0 345.531 3.216 20 0 EGADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1(C)C ZINC000181661003 455369487 /nfs/dbraw/zinc/36/94/87/455369487.db2.gz FHINGTQMTXKMEW-ZWKOTPCHSA-N 2 0 326.525 3.061 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1n1ccnc1 ZINC000246196783 455446605 /nfs/dbraw/zinc/44/66/05/455446605.db2.gz LQDLNOQNUTYUAH-RDTXWAMCSA-N 2 0 339.418 3.495 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)[C@@H](C)C1 ZINC000246300826 455466625 /nfs/dbraw/zinc/46/66/25/455466625.db2.gz DAHGMOASRJRVOL-FUHWJXTLSA-N 2 0 327.472 3.324 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000182233630 455468002 /nfs/dbraw/zinc/46/80/02/455468002.db2.gz ZYIICLLUULLJLW-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000247046516 455551070 /nfs/dbraw/zinc/55/10/70/455551070.db2.gz NAUKKYNUEQMMCO-PASDCYSWSA-N 2 0 331.504 3.033 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2sccc2C[NH+](C)C)[NH+](C)C)cc1 ZINC000268005901 455577713 /nfs/dbraw/zinc/57/77/13/455577713.db2.gz FDIXSVNTCXTNBE-KRWDZBQOSA-N 2 0 345.512 3.151 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2)n1 ZINC000247343708 455590049 /nfs/dbraw/zinc/59/00/49/455590049.db2.gz XRLIKWLUKGHYSL-FPOVZHCZSA-N 2 0 338.499 3.405 20 0 EGADRP C[C@H](NCC(=O)N(C)CC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682369 455596106 /nfs/dbraw/zinc/59/61/06/455596106.db2.gz KHWQMJZYJJBVEZ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708404 455602221 /nfs/dbraw/zinc/60/22/21/455602221.db2.gz CFJCKUNZRCHDPD-LBTNJELSSA-N 2 0 338.442 3.241 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000268185912 455613004 /nfs/dbraw/zinc/61/30/04/455613004.db2.gz WWCITBGLMWDWTH-IBGZPJMESA-N 2 0 344.503 3.147 20 0 EGADRP COC(=O)C1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000192437906 455615015 /nfs/dbraw/zinc/61/50/15/455615015.db2.gz UTBOGYUEWFOFSR-UHFFFAOYSA-N 2 0 336.520 3.497 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccsc1 ZINC000284020341 455624191 /nfs/dbraw/zinc/62/41/91/455624191.db2.gz NSKJPRDLFPSFIT-KRWDZBQOSA-N 2 0 342.468 3.209 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000185872320 455638056 /nfs/dbraw/zinc/63/80/56/455638056.db2.gz FGMTYEXXFZIVRE-CQSZACIVSA-N 2 0 343.487 3.117 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000284192203 455649982 /nfs/dbraw/zinc/64/99/82/455649982.db2.gz BRIOYPPPMHHDQP-QGZVFWFLSA-N 2 0 348.450 3.071 20 0 EGADRP COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000248021308 455670259 /nfs/dbraw/zinc/67/02/59/455670259.db2.gz NWFMYUJINMRXHU-PZBISTMVSA-N 2 0 345.531 3.150 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248025782 455672374 /nfs/dbraw/zinc/67/23/74/455672374.db2.gz OYLUBSWEJYGJMH-QEEYODRMSA-N 2 0 326.488 3.307 20 0 EGADRP O[C@@H]([C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1)C(F)(F)F ZINC000277812188 455673488 /nfs/dbraw/zinc/67/34/88/455673488.db2.gz QGLGYFIMBXVBBL-ZBFHGGJFSA-N 2 0 339.361 3.008 20 0 EGADRP COc1ccc([C@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192715668 455677229 /nfs/dbraw/zinc/67/72/29/455677229.db2.gz KFDGWUPCLXKRNJ-SFHVURJKSA-N 2 0 333.520 3.104 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000268451115 455686986 /nfs/dbraw/zinc/68/69/86/455686986.db2.gz WFCSCMLCGVIQTO-UHFFFAOYSA-N 2 0 345.512 3.135 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCCO1 ZINC000277855824 455687553 /nfs/dbraw/zinc/68/75/53/455687553.db2.gz MVTLNRMMSQAANA-AWEZNQCLSA-N 2 0 346.393 3.176 20 0 EGADRP CCSc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000186216006 455717873 /nfs/dbraw/zinc/71/78/73/455717873.db2.gz WJOHXFZMJLYQAX-SFHVURJKSA-N 2 0 333.545 3.010 20 0 EGADRP CC(C)c1nc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cs1 ZINC000186320579 455742942 /nfs/dbraw/zinc/74/29/42/455742942.db2.gz PVJVCXYPDLPYAA-OAHLLOKOSA-N 2 0 338.565 3.191 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCc3c(O)cccc32)C[C@H](C)O1 ZINC000284858603 455753248 /nfs/dbraw/zinc/75/32/48/455753248.db2.gz ALDCTJTXITXUKA-FCEWJHQRSA-N 2 0 332.488 3.249 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781125 455755082 /nfs/dbraw/zinc/75/50/82/455755082.db2.gz LJGNDVMNGIENNW-NRFANRHFSA-N 2 0 337.467 3.188 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)OC(C)C ZINC000186378731 455756420 /nfs/dbraw/zinc/75/64/20/455756420.db2.gz XGECIARYQNGERZ-JMVFIXPQSA-N 2 0 334.504 3.480 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000269011507 455762244 /nfs/dbraw/zinc/76/22/44/455762244.db2.gz NTBWOFZOPSABPT-OAHLLOKOSA-N 2 0 332.488 3.241 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000249727122 455770011 /nfs/dbraw/zinc/77/00/11/455770011.db2.gz QQXSBJZBMINWMW-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000269037413 455771483 /nfs/dbraw/zinc/77/14/83/455771483.db2.gz FSNAXBDXKXJAIQ-JKSUJKDBSA-N 2 0 338.492 3.020 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000269040389 455772608 /nfs/dbraw/zinc/77/26/08/455772608.db2.gz GKJXKQFCJGDSLP-XJKSGUPXSA-N 2 0 330.419 3.295 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000249971742 455784198 /nfs/dbraw/zinc/78/41/98/455784198.db2.gz KOSFVPRLLNQKKB-HGJUEJDCSA-N 2 0 328.500 3.038 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000271880896 455797021 /nfs/dbraw/zinc/79/70/21/455797021.db2.gz PHOQXZDDATXFPX-LPHOPBHVSA-N 2 0 334.504 3.075 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000186582896 455798709 /nfs/dbraw/zinc/79/87/09/455798709.db2.gz MLERMNRGZLBIHS-MJGOQNOKSA-N 2 0 333.520 3.070 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000269202746 455811149 /nfs/dbraw/zinc/81/11/49/455811149.db2.gz KTVJFNXURQQMKE-IBGZPJMESA-N 2 0 349.478 3.183 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@@H]45)[C@H]3C2)cc1 ZINC000253233052 455831906 /nfs/dbraw/zinc/83/19/06/455831906.db2.gz LQAXPGPFUIIMPX-LLTZGFESSA-N 2 0 340.511 3.444 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1OC ZINC000285604262 455880474 /nfs/dbraw/zinc/88/04/74/455880474.db2.gz JWQQSJCEMBCMMU-GDBMZVCRSA-N 2 0 332.488 3.017 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000285633158 455886386 /nfs/dbraw/zinc/88/63/86/455886386.db2.gz LJDQCVRGBZBUCK-INIZCTEOSA-N 2 0 327.476 3.038 20 0 EGADRP COc1cc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)ccc1OC(F)F ZINC000261609806 455912658 /nfs/dbraw/zinc/91/26/58/455912658.db2.gz DKXZKLDRRGXCLP-UHFFFAOYSA-N 2 0 340.414 3.261 20 0 EGADRP Cc1nccn1CCC[NH2+]Cc1cccc(F)c1Br ZINC000296341504 455913072 /nfs/dbraw/zinc/91/30/72/455913072.db2.gz IIYODLARHHCXNK-UHFFFAOYSA-N 2 0 326.213 3.273 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3c(F)ccc(Br)c3F)C[C@H]21 ZINC000261644368 455919686 /nfs/dbraw/zinc/91/96/86/455919686.db2.gz MAILBGROAWLYHE-IMSIIYSGSA-N 2 0 345.231 3.287 20 0 EGADRP C[C@]1(C[NH3+])CCN(Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000261685528 455927806 /nfs/dbraw/zinc/92/78/06/455927806.db2.gz KJHACIVJKJAKEF-CQSZACIVSA-N 2 0 349.219 3.221 20 0 EGADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000261685629 455927907 /nfs/dbraw/zinc/92/79/07/455927907.db2.gz BSYYPGXGPJEOOC-OAHLLOKOSA-N 2 0 338.455 3.215 20 0 EGADRP CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261731058 455936576 /nfs/dbraw/zinc/93/65/76/455936576.db2.gz KWHMWFUMVMEUOK-BTHPGYMESA-N 2 0 343.515 3.188 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000195345786 455946550 /nfs/dbraw/zinc/94/65/50/455946550.db2.gz DTLLEQJZKXYAGM-UHFFFAOYSA-N 2 0 329.488 3.341 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000261821826 455953048 /nfs/dbraw/zinc/95/30/48/455953048.db2.gz IGOFVPHJSPIQGC-KRWDZBQOSA-N 2 0 329.488 3.247 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272464691 455960278 /nfs/dbraw/zinc/96/02/78/455960278.db2.gz KQIRMAZAHCNOFQ-YRISNDGFSA-N 2 0 342.458 3.359 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465923 455961633 /nfs/dbraw/zinc/96/16/33/455961633.db2.gz YBFOLVWIZNOLET-DQYPLSBCSA-N 2 0 343.298 3.443 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2OCCCO3)C[C@H]1c1ccccc1 ZINC000261883323 455964891 /nfs/dbraw/zinc/96/48/91/455964891.db2.gz ULHHUBUUCURXIF-MOPGFXCFSA-N 2 0 338.451 3.022 20 0 EGADRP CCn1nc(C)c(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000296563987 455974579 /nfs/dbraw/zinc/97/45/79/455974579.db2.gz VKPZWCDPDLXFJU-INIZCTEOSA-N 2 0 341.503 3.128 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000261968083 455978646 /nfs/dbraw/zinc/97/86/46/455978646.db2.gz CBVMLPJOGRPWES-HNNXBMFYSA-N 2 0 328.460 3.428 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000296584259 455980739 /nfs/dbraw/zinc/98/07/39/455980739.db2.gz XATQZQWKVRCITH-IRXDYDNUSA-N 2 0 331.504 3.065 20 0 EGADRP CC(C)c1nccn1Cc1cccc(NC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000296589020 455981944 /nfs/dbraw/zinc/98/19/44/455981944.db2.gz XISPKQYZIGHLOU-AWEZNQCLSA-N 2 0 326.444 3.134 20 0 EGADRP CCN(CC)C(=O)CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272526278 455983041 /nfs/dbraw/zinc/98/30/41/455983041.db2.gz AKGXMQOMCWLMGZ-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262013933 455985244 /nfs/dbraw/zinc/98/52/44/455985244.db2.gz WSGIGWVRCIMRBG-NWDGAFQWSA-N 2 0 344.286 3.381 20 0 EGADRP COc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)C2CC2)c(OC)c1 ZINC000262039429 455989163 /nfs/dbraw/zinc/98/91/63/455989163.db2.gz YEKOHLRQFRXSLN-CVEARBPZSA-N 2 0 332.488 3.304 20 0 EGADRP C[C@H](CO[C@@H]1CCOC1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286188346 455996504 /nfs/dbraw/zinc/99/65/04/455996504.db2.gz RDIWCWCRVMYLSC-WYNBGMTASA-N 2 0 346.515 3.213 20 0 EGADRP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262356482 456028376 /nfs/dbraw/zinc/02/83/76/456028376.db2.gz HYRGAEYSTOSDFR-JZXOWHBKSA-N 2 0 329.488 3.388 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272670624 456034053 /nfs/dbraw/zinc/03/40/53/456034053.db2.gz KJTUVIGVVPRSRQ-BHIFYINESA-N 3 0 339.527 3.139 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2cccnc2)C2CCC2)C[C@H](C)O1 ZINC000280800630 456054460 /nfs/dbraw/zinc/05/44/60/456054460.db2.gz IKASDNJIYGDXRZ-QKLQHJQFSA-N 2 0 331.504 3.402 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271174249 456155192 /nfs/dbraw/zinc/15/51/92/456155192.db2.gz APSRKXGDJDFVBO-UHFFFAOYSA-N 2 0 345.531 3.076 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000236629504 456159858 /nfs/dbraw/zinc/15/98/58/456159858.db2.gz JHSAYZITZQLLHC-UHFFFAOYSA-N 2 0 343.515 3.196 20 0 EGADRP COc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cc(OC)c1O ZINC000289894261 456171872 /nfs/dbraw/zinc/17/18/72/456171872.db2.gz XEOKBUBETXEEHS-AUUYWEPGSA-N 2 0 344.455 3.190 20 0 EGADRP CCCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236744041 456179519 /nfs/dbraw/zinc/17/95/19/456179519.db2.gz DWEBQJILIRHHGA-GOSISDBHSA-N 2 0 331.504 3.017 20 0 EGADRP CCCN(C(=O)CC(C)(C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236755538 456180640 /nfs/dbraw/zinc/18/06/40/456180640.db2.gz DWEBQJILIRHHGA-SFHVURJKSA-N 2 0 331.504 3.017 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2nccc(N(C)C)n2)C1 ZINC000301715578 456195821 /nfs/dbraw/zinc/19/58/21/456195821.db2.gz GQYQKYJFKPFXOZ-MRXNPFEDSA-N 2 0 339.487 3.387 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000273179570 456203833 /nfs/dbraw/zinc/20/38/33/456203833.db2.gz GIHRYCBKGHCGOV-HZPDHXFCSA-N 2 0 335.492 3.008 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2cncc(F)c2)C2CC2)C[C@H](C)O1 ZINC000281344574 456208317 /nfs/dbraw/zinc/20/83/17/456208317.db2.gz UXQLDKMDPLPBOO-KHYOSLBOSA-N 2 0 335.467 3.151 20 0 EGADRP Cn1ncc(Cl)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000189081628 456220629 /nfs/dbraw/zinc/22/06/29/456220629.db2.gz GIZMVGZFXZGXEP-UHFFFAOYSA-N 2 0 332.879 3.075 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000263782169 456221818 /nfs/dbraw/zinc/22/18/18/456221818.db2.gz OAUQNLFYBFJISO-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000290099365 456239742 /nfs/dbraw/zinc/23/97/42/456239742.db2.gz HWZRFKPYCLLQND-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000290099360 456240171 /nfs/dbraw/zinc/24/01/71/456240171.db2.gz HWZRFKPYCLLQND-HLAWJBBLSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000237190972 456244126 /nfs/dbraw/zinc/24/41/26/456244126.db2.gz DAJSJXUBEPHSIZ-VQTJNVASSA-N 2 0 339.483 3.194 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189184995 456248690 /nfs/dbraw/zinc/24/86/90/456248690.db2.gz OIBNLZUKTHQWRH-PCCBWWKXSA-N 2 0 330.516 3.224 20 0 EGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCCCOc2ccccc2)CC1 ZINC000275663105 456279668 /nfs/dbraw/zinc/27/96/68/456279668.db2.gz DXCFHYLEEGPMFV-IBGZPJMESA-N 2 0 348.531 3.260 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000275708635 456291022 /nfs/dbraw/zinc/29/10/22/456291022.db2.gz MPBQFUQKTYKYPF-IBGZPJMESA-N 2 0 329.492 3.038 20 0 EGADRP C[C@H](CCNC(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCCCC1 ZINC000275729267 456298873 /nfs/dbraw/zinc/29/88/73/456298873.db2.gz XARRXXXCOSMNAE-QGZVFWFLSA-N 2 0 346.519 3.177 20 0 EGADRP C[C@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000275742830 456302104 /nfs/dbraw/zinc/30/21/04/456302104.db2.gz RHMXITYXRZCGHT-QRVBRYPASA-N 2 0 347.522 3.420 20 0 EGADRP CCOC(=O)CCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352831677 456346287 /nfs/dbraw/zinc/34/62/87/456346287.db2.gz MPARWKQNJZBFIB-NRFANRHFSA-N 2 0 344.499 3.318 20 0 EGADRP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347749138 456348375 /nfs/dbraw/zinc/34/83/75/456348375.db2.gz ABBMNZALYGPYJI-VQTJNVASSA-N 2 0 345.531 3.087 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000281929882 456365017 /nfs/dbraw/zinc/36/50/17/456365017.db2.gz KIEXFCQYERGLAB-QGZVFWFLSA-N 2 0 331.504 3.120 20 0 EGADRP CCN1CC[NH+](C[C@H](C)CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000302624296 456367530 /nfs/dbraw/zinc/36/75/30/456367530.db2.gz FDAZNVHLLBAELX-OAHLLOKOSA-N 2 0 330.451 3.059 20 0 EGADRP CCN(CC)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000298228567 456397684 /nfs/dbraw/zinc/39/76/84/456397684.db2.gz BDGUQUZQNCTCAF-IBGZPJMESA-N 2 0 342.487 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000343088876 456398142 /nfs/dbraw/zinc/39/81/42/456398142.db2.gz BOJQIBUMSMVETR-SFHVURJKSA-N 2 0 340.556 3.059 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000276203452 456412629 /nfs/dbraw/zinc/41/26/29/456412629.db2.gz KLXZXQOYIBAICA-UHFFFAOYSA-N 2 0 334.504 3.061 20 0 EGADRP Clc1ccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298317308 456422417 /nfs/dbraw/zinc/42/24/17/456422417.db2.gz ICNARLODNJQKKS-UHFFFAOYSA-N 2 0 331.847 3.372 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000282193750 456439875 /nfs/dbraw/zinc/43/98/75/456439875.db2.gz WRSAJCBJGQRVBR-KRWDZBQOSA-N 2 0 335.561 3.475 20 0 EGADRP CC(CC[NH+](C)Cc1ccccn1)CC[N@H+](C)Cc1ccccn1 ZINC000298385764 456443302 /nfs/dbraw/zinc/44/33/02/456443302.db2.gz OANUFRGVVWWQJR-UHFFFAOYSA-N 2 0 326.488 3.457 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1(C)C ZINC000282222739 456447706 /nfs/dbraw/zinc/44/77/06/456447706.db2.gz IBYZCZLVJNEIHA-RTBURBONSA-N 2 0 329.532 3.184 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1(C)C ZINC000282251803 456455769 /nfs/dbraw/zinc/45/57/69/456455769.db2.gz GPMVSGMRCPGHKM-UHFFFAOYSA-N 2 0 345.462 3.201 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2)CC1 ZINC000290930434 456469995 /nfs/dbraw/zinc/46/99/95/456469995.db2.gz RWXZBXJNRZMGDO-UHFFFAOYSA-N 2 0 349.482 3.480 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCCCC1 ZINC000348100173 456478493 /nfs/dbraw/zinc/47/84/93/456478493.db2.gz FKDIERCERSCVDE-IAGOWNOFSA-N 2 0 327.476 3.040 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1(C)C ZINC000282333630 456480329 /nfs/dbraw/zinc/48/03/29/456480329.db2.gz OHANFHMHJWTSKT-HXUWFJFHSA-N 2 0 345.506 3.377 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000340514088 456503020 /nfs/dbraw/zinc/50/30/20/456503020.db2.gz GRUXTGRPSZKFPS-AFYVEPGGSA-N 2 0 328.500 3.444 20 0 EGADRP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000340523482 456509163 /nfs/dbraw/zinc/50/91/63/456509163.db2.gz DSFMOGSBUKCKLR-IRFCIJBXSA-N 2 0 344.499 3.127 20 0 EGADRP Oc1cc(F)cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282433416 456511661 /nfs/dbraw/zinc/51/16/61/456511661.db2.gz FKRDKXBVHHCHSU-HNNXBMFYSA-N 2 0 329.419 3.444 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189142 456558285 /nfs/dbraw/zinc/55/82/85/456558285.db2.gz OYDKWOIQMWIDGO-RHSMWYFYSA-N 2 0 344.421 3.403 20 0 EGADRP COCc1ccccc1/C=C(\C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000353208476 456560111 /nfs/dbraw/zinc/56/01/11/456560111.db2.gz XCQYSOMTNDOJTB-YWXUCKCNSA-N 2 0 346.515 3.327 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000282582386 456560514 /nfs/dbraw/zinc/56/05/14/456560514.db2.gz ZTFWUQOYMBVBCY-DBVUQKKJSA-N 2 0 334.479 3.261 20 0 EGADRP CSC1(C[NH2+]Cc2cn(-c3ccccc3)nc2C)CC[NH+](C)CC1 ZINC000353213412 456564921 /nfs/dbraw/zinc/56/49/21/456564921.db2.gz SUASSQWVNMFIIM-UHFFFAOYSA-N 2 0 344.528 3.098 20 0 EGADRP CCOc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1F ZINC000353222349 456570462 /nfs/dbraw/zinc/57/04/62/456570462.db2.gz QSGGMFJBGOKPOO-UHFFFAOYSA-N 2 0 326.481 3.141 20 0 EGADRP COCCC1(C[NH2+]CC2(SC)CC[NH+](C)CC2)CCCCC1 ZINC000353226651 456572850 /nfs/dbraw/zinc/57/28/50/456572850.db2.gz ZLFIUCRVIHABHT-UHFFFAOYSA-N 2 0 328.566 3.390 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)C(C)(C)C1 ZINC000310059251 456579582 /nfs/dbraw/zinc/57/95/82/456579582.db2.gz IAFBVIUYKPEBMA-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000353260329 456593893 /nfs/dbraw/zinc/59/38/93/456593893.db2.gz OOQDFHJKCSERPK-ZWKOTPCHSA-N 2 0 343.515 3.275 20 0 EGADRP Cc1ncn(-c2ccc(N[C@H](C)C3CCS(=O)(=O)CC3)cc2)c1C ZINC000291322392 456605546 /nfs/dbraw/zinc/60/55/46/456605546.db2.gz SYABNAITHKKDFN-CQSZACIVSA-N 2 0 347.484 3.114 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)cc1 ZINC000343445058 456626766 /nfs/dbraw/zinc/62/67/66/456626766.db2.gz NQFXJXWTUDSQFZ-LPHOPBHVSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000320718982 456632207 /nfs/dbraw/zinc/63/22/07/456632207.db2.gz VKXYKYLBBFPSDH-ZHALLVOQSA-N 2 0 346.515 3.464 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000337993700 456643343 /nfs/dbraw/zinc/64/33/43/456643343.db2.gz SPCOEKDYQBREOT-RTWAWAEBSA-N 2 0 347.522 3.442 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000348376147 456655574 /nfs/dbraw/zinc/65/55/74/456655574.db2.gz JPEGODQGTFPDLT-HKUYNNGSSA-N 2 0 343.519 3.267 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CSCCc3ccccc32)CCCO1 ZINC000348422091 456679991 /nfs/dbraw/zinc/67/99/91/456679991.db2.gz MZLLZQAWCNEWBE-VQIMIIECSA-N 2 0 334.529 3.108 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000353490436 456709963 /nfs/dbraw/zinc/70/99/63/456709963.db2.gz QQECYHOEHPRFEO-YJBOKZPZSA-N 2 0 332.467 3.359 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000353505825 456721743 /nfs/dbraw/zinc/72/17/43/456721743.db2.gz YYNJNXMKDSMDSB-DYESRHJHSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CS1 ZINC000277228889 456734126 /nfs/dbraw/zinc/73/41/26/456734126.db2.gz MCGUGQNBQCTQIS-QYZOEREBSA-N 2 0 348.556 3.263 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000277240167 456739227 /nfs/dbraw/zinc/73/92/27/456739227.db2.gz MZQOHTJIPBSPCY-ICSRJNTNSA-N 2 0 348.556 3.263 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000343632404 456760167 /nfs/dbraw/zinc/76/01/67/456760167.db2.gz AHFYSSVRTFPANH-KZNAEPCWSA-N 2 0 343.515 3.201 20 0 EGADRP Cc1cccc([C@@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000283470662 456787045 /nfs/dbraw/zinc/78/70/45/456787045.db2.gz ZNDSXWNXLNWELY-OAQYLSRUSA-N 2 0 329.532 3.200 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC[NH+](C)CC1 ZINC000353610183 456802004 /nfs/dbraw/zinc/80/20/04/456802004.db2.gz LXPPXOSGTMJVMA-CQSZACIVSA-N 2 0 339.524 3.370 20 0 EGADRP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(-c2ccnn2C)c1 ZINC000338422140 456809633 /nfs/dbraw/zinc/80/96/33/456809633.db2.gz GAUCINUKKNLACO-UHFFFAOYSA-N 2 0 326.488 3.358 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969398 456815193 /nfs/dbraw/zinc/81/51/93/456815193.db2.gz RYXNYDIPMPWCJQ-PVAVHDDUSA-N 2 0 342.405 3.155 20 0 EGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353631452 456815837 /nfs/dbraw/zinc/81/58/37/456815837.db2.gz QIZZGMITWVUTGT-GOSISDBHSA-N 2 0 334.529 3.490 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000344438968 456828920 /nfs/dbraw/zinc/82/89/20/456828920.db2.gz KKKNGQJZLPNZGB-MOPGFXCFSA-N 2 0 333.520 3.162 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH+](CC)CC)c2ccccc21 ZINC000338686515 456853373 /nfs/dbraw/zinc/85/33/73/456853373.db2.gz HIRBJJZEYRKLDG-RTBURBONSA-N 2 0 332.488 3.490 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000344777346 456858509 /nfs/dbraw/zinc/85/85/09/456858509.db2.gz UNOSJSWHQNCKCZ-GEQKSPFYSA-N 2 0 336.545 3.414 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccc21 ZINC000338790210 456858723 /nfs/dbraw/zinc/85/87/23/456858723.db2.gz WTOKXQJUIXFUED-MOPGFXCFSA-N 2 0 330.472 3.100 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cn1 ZINC000353842146 456931202 /nfs/dbraw/zinc/93/12/02/456931202.db2.gz MNXFCJXVPJPPIE-GPMSIDNRSA-N 2 0 337.483 3.397 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000349388425 456961136 /nfs/dbraw/zinc/96/11/36/456961136.db2.gz ZACYAQZOKDDVTL-INIZCTEOSA-N 2 0 332.488 3.326 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CC(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339269034 457031602 /nfs/dbraw/zinc/03/16/02/457031602.db2.gz HPUVVJGKJZLAIT-HXUWFJFHSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362663747 457033527 /nfs/dbraw/zinc/03/35/27/457033527.db2.gz MANJJPZBCWXFOK-ZHALLVOQSA-N 2 0 343.515 3.226 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000354109306 457068781 /nfs/dbraw/zinc/06/87/81/457068781.db2.gz ZSNAYOYXNMZPLV-OAHLLOKOSA-N 2 0 339.549 3.373 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000359669464 457107782 /nfs/dbraw/zinc/10/77/82/457107782.db2.gz DGGHFEFEMKAQQS-WIYYLYMNSA-N 2 0 329.532 3.348 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccnn2C)c1 ZINC000354177191 457112270 /nfs/dbraw/zinc/11/22/70/457112270.db2.gz NVRDPHBCIHIURU-NRFANRHFSA-N 2 0 338.499 3.313 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000339674777 457205425 /nfs/dbraw/zinc/20/54/25/457205425.db2.gz AYTVHKNISHGUHR-QGZVFWFLSA-N 2 0 335.561 3.477 20 0 EGADRP CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000342293278 457217766 /nfs/dbraw/zinc/21/77/66/457217766.db2.gz TZUNTKPHUDRYLS-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP Cc1cc(C)n(CC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000357005670 457270779 /nfs/dbraw/zinc/27/07/79/457270779.db2.gz AVIYVEPHLXUGDY-GOSISDBHSA-N 2 0 332.536 3.476 20 0 EGADRP COCc1cccc(OCC2(C[NH+]3CCC(C[NH+](C)C)CC3)CC2)c1 ZINC000354540973 457279381 /nfs/dbraw/zinc/27/93/81/457279381.db2.gz OKVTXXCMNLFZPN-UHFFFAOYSA-N 2 0 346.515 3.266 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC(F)F ZINC000357038909 457291878 /nfs/dbraw/zinc/29/18/78/457291878.db2.gz AHOZCNLRTMLCNI-OAHLLOKOSA-N 2 0 340.414 3.118 20 0 EGADRP c1cnc(Oc2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)cn1 ZINC000357059531 457303006 /nfs/dbraw/zinc/30/30/06/457303006.db2.gz XIGDJINVRZQUQP-GOSISDBHSA-N 2 0 338.455 3.090 20 0 EGADRP CSc1cc2c(cc1C[NH+]1CCC([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000357060111 457304441 /nfs/dbraw/zinc/30/44/41/457304441.db2.gz XKOWHILEFYIWCD-OAHLLOKOSA-N 2 0 348.512 3.001 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1)CC1CC1 ZINC000357085673 457314390 /nfs/dbraw/zinc/31/43/90/457314390.db2.gz NIDLACHPWQHGRM-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000352143478 457341724 /nfs/dbraw/zinc/34/17/24/457341724.db2.gz ZNMAZIZWNMTWOE-CVEARBPZSA-N 2 0 337.533 3.168 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000369765215 457390030 /nfs/dbraw/zinc/39/00/30/457390030.db2.gz ZJOQVGZOJDZFAF-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000352503429 457421723 /nfs/dbraw/zinc/42/17/23/457421723.db2.gz GELZMFLLPBVZAK-QGZVFWFLSA-N 2 0 325.456 3.372 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540067 457450298 /nfs/dbraw/zinc/45/02/98/457450298.db2.gz GTDVVOYAFABTJT-OAQYLSRUSA-N 2 0 329.532 3.220 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360943236 457452014 /nfs/dbraw/zinc/45/20/14/457452014.db2.gz SKQGDHMABGDZRV-IBGZPJMESA-N 2 0 338.499 3.253 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000393564090 457466323 /nfs/dbraw/zinc/46/63/23/457466323.db2.gz JBLAWHQCBVZCQL-UHFFFAOYSA-N 2 0 339.524 3.285 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000357742612 457675393 /nfs/dbraw/zinc/67/53/93/457675393.db2.gz LMPHVTUOFZGMRB-PKOBYXMFSA-N 2 0 348.535 3.017 20 0 EGADRP CC(C)CC[C@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000361316677 457690326 /nfs/dbraw/zinc/69/03/26/457690326.db2.gz SXLZICBUSYMIFT-FQEVSTJZSA-N 2 0 333.520 3.417 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000357899701 457727627 /nfs/dbraw/zinc/72/76/27/457727627.db2.gz NIHLMBOUGCKSQQ-IBGZPJMESA-N 2 0 343.515 3.062 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccccc2C[NH+](C)C)c1 ZINC000433311081 457807081 /nfs/dbraw/zinc/80/70/81/457807081.db2.gz FOJLJHFNSDJCTA-UHFFFAOYSA-N 2 0 339.483 3.130 20 0 EGADRP COC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411155099 457816268 /nfs/dbraw/zinc/81/62/68/457816268.db2.gz MJQNACRJYWIRQH-UHFFFAOYSA-N 2 0 330.472 3.058 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000433349686 457816396 /nfs/dbraw/zinc/81/63/96/457816396.db2.gz CLHXFNAKPPRFCZ-ZWKOTPCHSA-N 2 0 333.520 3.162 20 0 EGADRP COCC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000366500637 457831660 /nfs/dbraw/zinc/83/16/60/457831660.db2.gz MWEZTBAHRDDKFK-HKUYNNGSSA-N 2 0 338.536 3.062 20 0 EGADRP C[C@@H](CC[NH+](C)C[C@@H]1CCCOC1)CC[N@H+](C)C[C@H]1CCCOC1 ZINC000411268444 457845911 /nfs/dbraw/zinc/84/59/11/457845911.db2.gz DELSBNIGDDLDBM-OWZKRDHZSA-N 2 0 340.552 3.120 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc(C(F)(F)F)c1 ZINC000371301182 457855142 /nfs/dbraw/zinc/85/51/42/457855142.db2.gz SPIZRRALZUHLPA-ZACQAIPSSA-N 2 0 342.405 3.389 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000411321817 457858400 /nfs/dbraw/zinc/85/84/00/457858400.db2.gz JBPWLOCAQLPICB-PMACEKPBSA-N 2 0 346.540 3.379 20 0 EGADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000358215685 457865935 /nfs/dbraw/zinc/86/59/35/457865935.db2.gz WILNOIYTIWGZJA-UHFFFAOYSA-N 2 0 349.494 3.025 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000375292056 457866848 /nfs/dbraw/zinc/86/68/48/457866848.db2.gz JTHBATROZNCEHQ-IRLDBZIGSA-N 2 0 341.543 3.074 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCCCOc1ccccc1 ZINC000375355622 457894813 /nfs/dbraw/zinc/89/48/13/457894813.db2.gz KNTNSMGZLAFNNG-HMXCVIKNSA-N 2 0 346.515 3.419 20 0 EGADRP Cc1cccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000426771553 457898301 /nfs/dbraw/zinc/89/83/01/457898301.db2.gz DBWLCWXHLCOLAB-QZTJIDSGSA-N 2 0 331.504 3.101 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000367030345 457920910 /nfs/dbraw/zinc/92/09/10/457920910.db2.gz QDICERZQCGGINB-WIYYLYMNSA-N 2 0 329.532 3.268 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000367199230 457934429 /nfs/dbraw/zinc/93/44/29/457934429.db2.gz JBWNHYAIYMIKTO-GOSISDBHSA-N 2 0 343.515 3.438 20 0 EGADRP COCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCO[C@H]1C ZINC000411658848 457941814 /nfs/dbraw/zinc/94/18/14/457941814.db2.gz XKTYYIUDJDIWGZ-RXVVDRJESA-N 2 0 346.515 3.298 20 0 EGADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC000367894284 457992010 /nfs/dbraw/zinc/99/20/10/457992010.db2.gz CESSXFYIKXMSCS-HOTGVXAUSA-N 2 0 334.426 3.341 20 0 EGADRP FC(F)(F)COCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375740321 458044277 /nfs/dbraw/zinc/04/42/77/458044277.db2.gz AWHMSYGCGCXAIV-QGZVFWFLSA-N 2 0 342.405 3.163 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358518741 458053429 /nfs/dbraw/zinc/05/34/29/458053429.db2.gz RFZKJLWATZWYAQ-UHFFFAOYSA-N 2 0 343.496 3.394 20 0 EGADRP C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375818373 458080655 /nfs/dbraw/zinc/08/06/55/458080655.db2.gz WCRJDPQIHIZXMV-UIAACRFSSA-N 2 0 347.934 3.285 20 0 EGADRP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000428276776 458112159 /nfs/dbraw/zinc/11/21/59/458112159.db2.gz MUHTXNWNDFPTEI-CQSZACIVSA-N 2 0 340.870 3.112 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000369184135 458115809 /nfs/dbraw/zinc/11/58/09/458115809.db2.gz PKJKTDZGXOHZSR-QFUCXCTJSA-N 2 0 327.516 3.113 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435370955 458122608 /nfs/dbraw/zinc/12/26/08/458122608.db2.gz KNDBFERUFSOWFR-JSGCOSHPSA-N 2 0 346.393 3.196 20 0 EGADRP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cc2)cs1 ZINC000435371652 458123225 /nfs/dbraw/zinc/12/32/25/458123225.db2.gz WCOIKLSJPAYYPZ-INIZCTEOSA-N 2 0 331.485 3.201 20 0 EGADRP C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@H]1[NH3+] ZINC000435378828 458128438 /nfs/dbraw/zinc/12/84/38/458128438.db2.gz KDRPPIUIDOMYSL-OXQOHEQNSA-N 2 0 347.466 3.103 20 0 EGADRP Cc1ccc(OCc2nc(CN3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000435378494 458129074 /nfs/dbraw/zinc/12/90/74/458129074.db2.gz IXPXDKNYQKHCNU-HUUCEWRRSA-N 2 0 331.485 3.200 20 0 EGADRP Cc1nc(COc2ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc2)cs1 ZINC000435381785 458130023 /nfs/dbraw/zinc/13/00/23/458130023.db2.gz YDKOEKNFUMTEQC-UHFFFAOYSA-N 2 0 333.501 3.447 20 0 EGADRP C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435438561 458147976 /nfs/dbraw/zinc/14/79/76/458147976.db2.gz QBUGIDJZRUXODZ-CYBMUJFWSA-N 2 0 334.357 3.341 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000428496412 458157441 /nfs/dbraw/zinc/15/74/41/458157441.db2.gz PJTGBBYEISGKQP-UHFFFAOYSA-N 2 0 331.504 3.310 20 0 EGADRP COC[C@@H]1CCCC[NH+](CCCC[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000372109742 458198282 /nfs/dbraw/zinc/19/82/82/458198282.db2.gz VNKLUQKPJNQBMI-WOJBJXKFSA-N 2 0 340.552 3.264 20 0 EGADRP Cc1nn(C)c(Cl)c1CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376145346 458211298 /nfs/dbraw/zinc/21/12/98/458211298.db2.gz ALQKWSJDZYKOOQ-IBGZPJMESA-N 2 0 346.906 3.384 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000369441361 458214607 /nfs/dbraw/zinc/21/46/07/458214607.db2.gz JDPQXJZGKQHDSM-QFIPXVFZSA-N 2 0 337.511 3.440 20 0 EGADRP C[NH2+]CCCN1CCC[C@H]1c1ccc(I)cc1 ZINC000435879809 458218052 /nfs/dbraw/zinc/21/80/52/458218052.db2.gz FKFQGMAKYFCWFA-AWEZNQCLSA-N 2 0 344.240 3.038 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447569787 458313528 /nfs/dbraw/zinc/31/35/28/458313528.db2.gz DIZYZHICRBDQJS-CQSZACIVSA-N 2 0 345.487 3.179 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000447589403 458317750 /nfs/dbraw/zinc/31/77/50/458317750.db2.gz XUVNEESTTSIYJL-JENIJYKNSA-N 2 0 326.488 3.371 20 0 EGADRP CCCCC[C@@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369726079 458326772 /nfs/dbraw/zinc/32/67/72/458326772.db2.gz CYDWBEFLQPJKAZ-IEBWSBKVSA-N 2 0 337.552 3.220 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459388772 458355360 /nfs/dbraw/zinc/35/53/60/458355360.db2.gz GETCQOQPXOKODZ-UHFFFAOYSA-N 2 0 336.483 3.356 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)cc1 ZINC000420313453 458398488 /nfs/dbraw/zinc/39/84/88/458398488.db2.gz JCIWQNRHFGNVKV-QFBILLFUSA-N 2 0 339.483 3.078 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCCC2 ZINC000430235974 458426480 /nfs/dbraw/zinc/42/64/80/458426480.db2.gz GBKOXVLQRLPXEU-NJYVYQBISA-N 2 0 328.500 3.249 20 0 EGADRP COC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423448376 458434639 /nfs/dbraw/zinc/43/46/39/458434639.db2.gz UZDAYXQGPJLZOZ-IMJJTQAJSA-N 2 0 326.843 3.144 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423453357 458435782 /nfs/dbraw/zinc/43/57/82/458435782.db2.gz KNCIFAUKDWCSQH-AYWYSENESA-N 3 0 329.532 3.394 20 0 EGADRP Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000423480708 458439504 /nfs/dbraw/zinc/43/95/04/458439504.db2.gz POLGFNGDCPZBEV-INIZCTEOSA-N 2 0 327.472 3.368 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423504288 458445021 /nfs/dbraw/zinc/44/50/21/458445021.db2.gz KYBDGFCQCYOHSX-CDJZJNNCSA-N 3 0 341.543 3.394 20 0 EGADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000423526415 458451039 /nfs/dbraw/zinc/45/10/39/458451039.db2.gz ZHLROHPHTXHNMR-OXJNMPFZSA-N 2 0 335.455 3.398 20 0 EGADRP [NH3+]C1(C[NH2+][C@@H]2CCc3ccccc3OC2)C2CC3CC(C2)CC1C3 ZINC000423522013 458451345 /nfs/dbraw/zinc/45/13/45/458451345.db2.gz GYSWNUWOGXGRKO-DLBNGFKZSA-N 2 0 326.484 3.123 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC000423548394 458455951 /nfs/dbraw/zinc/45/59/51/458455951.db2.gz RALLCQQVKQWVEC-PMOUVXMZSA-N 2 0 340.414 3.335 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000423556332 458457390 /nfs/dbraw/zinc/45/73/90/458457390.db2.gz ZAQJORMJBRNCGX-UOVPBQLFSA-N 2 0 349.316 3.284 20 0 EGADRP Cc1ccncc1[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423559850 458457433 /nfs/dbraw/zinc/45/74/33/458457433.db2.gz JGBWWGYQMLQUBX-SFHVURJKSA-N 2 0 338.499 3.034 20 0 EGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000423580120 458459606 /nfs/dbraw/zinc/45/96/06/458459606.db2.gz XGMKWSJSVRTVCG-QGZVFWFLSA-N 2 0 341.474 3.470 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000459732494 458460351 /nfs/dbraw/zinc/46/03/51/458460351.db2.gz GABZDICMTQNREH-YUMYIRISSA-N 3 0 341.543 3.219 20 0 EGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000430593644 458468355 /nfs/dbraw/zinc/46/83/55/458468355.db2.gz PHRGRSHSGYOEEI-CQSZACIVSA-N 2 0 329.847 3.113 20 0 EGADRP [NH3+]C[C@@H]1CCCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430614382 458471443 /nfs/dbraw/zinc/47/14/43/458471443.db2.gz YXKTUEQXBNEPRA-INIZCTEOSA-N 2 0 339.439 3.088 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](CC)CC ZINC000430663165 458476566 /nfs/dbraw/zinc/47/65/66/458476566.db2.gz FMYKVZDEXWCVGV-DFQSSKMNSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423736768 458477261 /nfs/dbraw/zinc/47/72/61/458477261.db2.gz YYKXSSTXVQKRQC-SQIBXOBRSA-N 2 0 343.515 3.186 20 0 EGADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000459784754 458477769 /nfs/dbraw/zinc/47/77/69/458477769.db2.gz OMGMCYNMYABJSQ-QGZVFWFLSA-N 2 0 326.488 3.217 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000423737269 458477917 /nfs/dbraw/zinc/47/79/17/458477917.db2.gz AAEFPKXRGZIOHP-OAHLLOKOSA-N 2 0 343.446 3.049 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000423777379 458482086 /nfs/dbraw/zinc/48/20/86/458482086.db2.gz BVAUAXLFEKMIJP-BEFAXECRSA-N 2 0 325.456 3.331 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c(F)cccc2Br)C1 ZINC000459800676 458482940 /nfs/dbraw/zinc/48/29/40/458482940.db2.gz ZWRXIKXTHIUGPH-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]3CCC[C@@H]32)cc1 ZINC000453117525 458518885 /nfs/dbraw/zinc/51/88/85/458518885.db2.gz JJYZJWHODOODJB-YQPXSLGVSA-N 2 0 326.484 3.339 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000431042424 458521229 /nfs/dbraw/zinc/52/12/29/458521229.db2.gz HKSHFGLUYHDMHS-RMJJICAUSA-N 2 0 343.515 3.029 20 0 EGADRP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000431080157 458526521 /nfs/dbraw/zinc/52/65/21/458526521.db2.gz LDIMOQAFNFEEJR-MRXNPFEDSA-N 2 0 348.466 3.492 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377823567 458541756 /nfs/dbraw/zinc/54/17/56/458541756.db2.gz KSKBLMHEUOUAJM-GOSISDBHSA-N 2 0 347.547 3.118 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1cccs1 ZINC000431569837 458590222 /nfs/dbraw/zinc/59/02/22/458590222.db2.gz HRBVIDLABQTWTE-SJORKVTESA-N 2 0 349.544 3.264 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000424239908 458590576 /nfs/dbraw/zinc/59/05/76/458590576.db2.gz MOYWNTYNVSVUII-HXUWFJFHSA-N 2 0 337.467 3.447 20 0 EGADRP COc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000373748376 458590618 /nfs/dbraw/zinc/59/06/18/458590618.db2.gz QNJRBIPEEGUJSS-QGZVFWFLSA-N 2 0 330.476 3.429 20 0 EGADRP C[C@H](CCSc1ccccc1)[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000431607055 458594737 /nfs/dbraw/zinc/59/47/37/458594737.db2.gz UDGVFJVQESOMDY-MRXNPFEDSA-N 2 0 330.501 3.098 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000438551732 458596357 /nfs/dbraw/zinc/59/63/57/458596357.db2.gz GEEVKOVECOIZTB-MSOLQXFVSA-N 2 0 347.503 3.186 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000493905366 458597059 /nfs/dbraw/zinc/59/70/59/458597059.db2.gz HPGLYUHPEDJEQO-LJQANCHMSA-N 2 0 340.467 3.110 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000424271923 458599845 /nfs/dbraw/zinc/59/98/45/458599845.db2.gz STRRTGPUUXZCNK-DZIBYMRMSA-N 2 0 344.499 3.350 20 0 EGADRP CCC[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289004 458605253 /nfs/dbraw/zinc/60/52/53/458605253.db2.gz LEXVTOIGTLSFEH-IEBWSBKVSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000494000258 458614421 /nfs/dbraw/zinc/61/44/21/458614421.db2.gz PNZPCBAKNSHHOT-KWXDATOUSA-N 2 0 343.515 3.027 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000431773145 458620807 /nfs/dbraw/zinc/62/08/07/458620807.db2.gz AHFDVSYRUYRBDJ-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP COc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1OC(F)F ZINC000424373492 458627881 /nfs/dbraw/zinc/62/78/81/458627881.db2.gz HDIDJPKEZOCFDR-ZDUSSCGKSA-N 2 0 340.414 3.261 20 0 EGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000456347445 458638640 /nfs/dbraw/zinc/63/86/40/458638640.db2.gz JVMWABPVAZSEIU-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000530028299 458662061 /nfs/dbraw/zinc/66/20/61/458662061.db2.gz NVJJIAODKNRZJZ-HXUWFJFHSA-N 2 0 341.499 3.029 20 0 EGADRP CC[C@@H]1C[NH+](CCCCC[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439476689 458711555 /nfs/dbraw/zinc/71/15/55/458711555.db2.gz ZRLDDZOQURWXTO-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000494658223 458721190 /nfs/dbraw/zinc/72/11/90/458721190.db2.gz GBZXCMRPIOMAOX-KLAILNCOSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1ccccc1[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000495077335 458794688 /nfs/dbraw/zinc/79/46/88/458794688.db2.gz FBXLSCVZARARJR-GHTZIAJQSA-N 2 0 329.532 3.452 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000457104129 458868430 /nfs/dbraw/zinc/86/84/30/458868430.db2.gz BNLZPPCEQOUJKL-OAHLLOKOSA-N 2 0 343.471 3.049 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C)[NH+]1CCCC1 ZINC000474469210 458887374 /nfs/dbraw/zinc/88/73/74/458887374.db2.gz LKHJGURHWIIBNW-KANFNMMFSA-N 2 0 338.536 3.454 20 0 EGADRP Cc1ccc(C)c(OCCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441256615 458906710 /nfs/dbraw/zinc/90/67/10/458906710.db2.gz AEWAWGNPFFOVIB-IRFCIJBXSA-N 2 0 346.515 3.256 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)C[C@H]1C ZINC000531382254 458909214 /nfs/dbraw/zinc/90/92/14/458909214.db2.gz KASXBOQQEXVHIL-YZGWKJHDSA-N 2 0 348.531 3.156 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)C[C@@H]1C ZINC000531382253 458910316 /nfs/dbraw/zinc/91/03/16/458910316.db2.gz KASXBOQQEXVHIL-YSIASYRMSA-N 2 0 348.531 3.156 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576864181 458936229 /nfs/dbraw/zinc/93/62/29/458936229.db2.gz PYDYTHMSFQMBJZ-WIYYLYMNSA-N 3 0 329.532 3.219 20 0 EGADRP CCN(CCO)CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556573479 458973815 /nfs/dbraw/zinc/97/38/15/458973815.db2.gz KICSHNMOEGZHRX-IAGOWNOFSA-N 2 0 344.421 3.245 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000519698451 458989417 /nfs/dbraw/zinc/98/94/17/458989417.db2.gz YWLKUOIIIMXRGX-PMACEKPBSA-N 2 0 348.531 3.287 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577373698 459023898 /nfs/dbraw/zinc/02/38/98/459023898.db2.gz YBRHFDSOMQULAF-SJORKVTESA-N 2 0 325.456 3.065 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CC1(C)C ZINC000442881465 459051936 /nfs/dbraw/zinc/05/19/36/459051936.db2.gz ZMZHUVLPNVOJPM-RTWAWAEBSA-N 2 0 343.559 3.404 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496069101 459055246 /nfs/dbraw/zinc/05/52/46/459055246.db2.gz QNPIHLBIRZJPER-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)c1ccc([C@H](NC(=O)CN2CC[C@H]([NH3+])C[C@H]2C)C(C)C)cc1 ZINC000567176074 459058788 /nfs/dbraw/zinc/05/87/88/459058788.db2.gz AZLOOYVWSFEQTL-LKUPVBHCSA-N 2 0 345.531 3.435 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000442927967 459060875 /nfs/dbraw/zinc/06/08/75/459060875.db2.gz OVOUYMKFLATVLY-AWEZNQCLSA-N 2 0 332.879 3.301 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000442924639 459061756 /nfs/dbraw/zinc/06/17/56/459061756.db2.gz SMEDGUUNEOZQNX-QGZVFWFLSA-N 2 0 325.456 3.221 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(C)(C)O ZINC000477868738 459063750 /nfs/dbraw/zinc/06/37/50/459063750.db2.gz VZHDVPNAUKKNLP-HAGHYFMRSA-N 2 0 330.516 3.282 20 0 EGADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000477935311 459068242 /nfs/dbraw/zinc/06/82/42/459068242.db2.gz JFWSZEOCMGCJSI-MRXNPFEDSA-N 2 0 347.503 3.124 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000594515106 459072896 /nfs/dbraw/zinc/07/28/96/459072896.db2.gz QDVFFBRCPIQQHK-QGZVFWFLSA-N 2 0 346.515 3.261 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120494 459075343 /nfs/dbraw/zinc/07/53/43/459075343.db2.gz HLLHPSYHHCWELD-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C(C)(C)CN2CCCC2)C1 ZINC000496121842 459075392 /nfs/dbraw/zinc/07/53/92/459075392.db2.gz QUIYFTJMNJCPSY-LJQANCHMSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)c2ccccc2)CC1 ZINC000590073947 459077666 /nfs/dbraw/zinc/07/76/66/459077666.db2.gz RIQAMAYIWNKEKJ-OAQYLSRUSA-N 2 0 348.494 3.246 20 0 EGADRP CC(C)[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000594522356 459078533 /nfs/dbraw/zinc/07/85/33/459078533.db2.gz QEOITINZRKYZDZ-MRXNPFEDSA-N 2 0 326.525 3.453 20 0 EGADRP CCN(C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443063104 459081143 /nfs/dbraw/zinc/08/11/43/459081143.db2.gz VVSKBFYGYJWBBR-QGZVFWFLSA-N 2 0 339.483 3.254 20 0 EGADRP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)ccc1F ZINC000443076521 459085710 /nfs/dbraw/zinc/08/57/10/459085710.db2.gz SPLKLDCMGOVVMD-KBPBESRZSA-N 2 0 332.423 3.306 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000478395452 459087689 /nfs/dbraw/zinc/08/76/89/459087689.db2.gz BHDQDWKHMGPSKX-VQTJNVASSA-N 2 0 345.531 3.103 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCc3ccccc32)c2ccccc2)CC1 ZINC000532498229 459100404 /nfs/dbraw/zinc/10/04/04/459100404.db2.gz MTXZVJOKZJDLHB-FCHUYYIVSA-N 2 0 335.495 3.252 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000521037317 459114122 /nfs/dbraw/zinc/11/41/22/459114122.db2.gz DJNNKDSNLQAQQN-SJORKVTESA-N 2 0 331.504 3.065 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000567647675 459139272 /nfs/dbraw/zinc/13/92/72/459139272.db2.gz IMBGILJXWXACOE-MOPGFXCFSA-N 2 0 334.467 3.302 20 0 EGADRP COc1ncc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000532778063 459142633 /nfs/dbraw/zinc/14/26/33/459142633.db2.gz JPNNQXFSSAHQFY-YOEHRIQHSA-N 2 0 335.879 3.192 20 0 EGADRP C[NH+](C)C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000558259987 459142958 /nfs/dbraw/zinc/14/29/58/459142958.db2.gz WZZALGYTMHHHGD-FQEVSTJZSA-N 2 0 333.495 3.425 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)C(C)(C)C ZINC000567689334 459145958 /nfs/dbraw/zinc/14/59/58/459145958.db2.gz IAGKYKXYSPHVCK-YOEHRIQHSA-N 2 0 342.911 3.036 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000567688018 459146063 /nfs/dbraw/zinc/14/60/63/459146063.db2.gz HHEDEMQVCGZESJ-KRWDZBQOSA-N 2 0 349.494 3.420 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000590658905 459174537 /nfs/dbraw/zinc/17/45/37/459174537.db2.gz NGOGRUNRZRXJPU-DBVUQKKJSA-N 2 0 344.499 3.013 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000567870699 459182361 /nfs/dbraw/zinc/18/23/61/459182361.db2.gz JMMRAYFRSUMRCO-MNOVXSKESA-N 2 0 337.265 3.055 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000567990661 459203814 /nfs/dbraw/zinc/20/38/14/459203814.db2.gz UYBMBJSYXMHWBR-CVEARBPZSA-N 2 0 343.496 3.250 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000480737537 459216489 /nfs/dbraw/zinc/21/64/89/459216489.db2.gz OXDSZSIGPRZMBR-GUDVDZBRSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590787304 459219176 /nfs/dbraw/zinc/21/91/76/459219176.db2.gz ZENCBLPUFWPNNL-QGZVFWFLSA-N 2 0 331.504 3.374 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000590786137 459219790 /nfs/dbraw/zinc/21/97/90/459219790.db2.gz BPCAJQBBMDTCKP-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)Cc1ccccc1 ZINC000522240247 459230542 /nfs/dbraw/zinc/23/05/42/459230542.db2.gz RIVILFCKPKDCQC-LJQANCHMSA-N 2 0 330.520 3.196 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000590819024 459232252 /nfs/dbraw/zinc/23/22/52/459232252.db2.gz TYEYQJSEEWNDOV-OKZBNKHCSA-N 2 0 337.552 3.217 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496568703 459243152 /nfs/dbraw/zinc/24/31/52/459243152.db2.gz IPCBUKTYEGEAPC-DLBZAZTESA-N 2 0 333.476 3.147 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000595104197 459246659 /nfs/dbraw/zinc/24/66/59/459246659.db2.gz QKLXWDOKXWBLDN-ATZDWAIDSA-N 2 0 336.520 3.066 20 0 EGADRP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cs1 ZINC000559560693 459264910 /nfs/dbraw/zinc/26/49/10/459264910.db2.gz XKILBTKAEAGKEX-MRXNPFEDSA-N 2 0 326.425 3.187 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496700688 459293157 /nfs/dbraw/zinc/29/31/57/459293157.db2.gz LFZWTFDKRUAPNQ-IEBWSBKVSA-N 2 0 347.503 3.061 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000568499306 459297762 /nfs/dbraw/zinc/29/77/62/459297762.db2.gz GDRIWRKOUAABRW-HNNXBMFYSA-N 2 0 339.911 3.055 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000496744305 459308037 /nfs/dbraw/zinc/30/80/37/459308037.db2.gz XARQYUMYDDBSEO-GYXIZQIFSA-N 2 0 339.524 3.237 20 0 EGADRP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000568618058 459316127 /nfs/dbraw/zinc/31/61/27/459316127.db2.gz HIXWGKWFOWBBHK-OKZBNKHCSA-N 2 0 334.504 3.012 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000591161299 459325774 /nfs/dbraw/zinc/32/57/74/459325774.db2.gz XRCZNQMDXFHORR-PMACEKPBSA-N 2 0 345.531 3.224 20 0 EGADRP COC1(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCCC1 ZINC000483300722 459357178 /nfs/dbraw/zinc/35/71/78/459357178.db2.gz YPDKDSREJJRTMB-HDICACEKSA-N 2 0 338.536 3.157 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000483619289 459377365 /nfs/dbraw/zinc/37/73/65/459377365.db2.gz GZWZCBQAJFRWQM-ZJOUEHCJSA-N 2 0 348.531 3.489 20 0 EGADRP Fc1ccc(-c2nnc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)[nH]2)cc1 ZINC000582779653 459425701 /nfs/dbraw/zinc/42/57/01/459425701.db2.gz JNFBXOOTNKDBKI-YESZJQIVSA-N 2 0 343.450 3.011 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000569329347 459432926 /nfs/dbraw/zinc/43/29/26/459432926.db2.gz LQFANKVMFPXPFR-UHFFFAOYSA-N 2 0 330.451 3.141 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000583019425 459467345 /nfs/dbraw/zinc/46/73/45/459467345.db2.gz BPHDDNNWCSMABY-HXUWFJFHSA-N 2 0 342.483 3.056 20 0 EGADRP CCCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486210157 459492470 /nfs/dbraw/zinc/49/24/70/459492470.db2.gz BANRTNNPPZXBHU-RDJZCZTQSA-N 2 0 337.552 3.122 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3conc3Cc3ccccc3)C2)CC1 ZINC000569704460 459497639 /nfs/dbraw/zinc/49/76/39/459497639.db2.gz MAHWMCPRNLBPRQ-IBGZPJMESA-N 2 0 339.483 3.429 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000497247269 459501327 /nfs/dbraw/zinc/50/13/27/459501327.db2.gz ZQDQACPWKDIQTE-IRXDYDNUSA-N 2 0 341.540 3.390 20 0 EGADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC000583230838 459505750 /nfs/dbraw/zinc/50/57/50/459505750.db2.gz CPOGUXHKRSYHBI-FCHUYYIVSA-N 2 0 335.495 3.468 20 0 EGADRP COc1ccc2cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)ccc2c1 ZINC000583349173 459524490 /nfs/dbraw/zinc/52/44/90/459524490.db2.gz XGFJPXFFDGTOMZ-UHFFFAOYSA-N 2 0 343.515 3.164 20 0 EGADRP Cc1ccc2cc(CNc3c[nH+]ccc3N3CC[NH+](C)CC3)ccc2n1 ZINC000583419677 459534580 /nfs/dbraw/zinc/53/45/80/459534580.db2.gz PMHNMADKZOIYML-UHFFFAOYSA-N 2 0 347.466 3.302 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000498011438 459565267 /nfs/dbraw/zinc/56/52/67/459565267.db2.gz OTUCQYSCSRTLTN-QRVBRYPASA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000562478853 459570343 /nfs/dbraw/zinc/57/03/43/459570343.db2.gz PQGNOZNRQUTTQC-HNNXBMFYSA-N 2 0 342.936 3.209 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000583733993 459587519 /nfs/dbraw/zinc/58/75/19/459587519.db2.gz CVCDPJVNCUQMLM-ISPXXFMDSA-N 2 0 327.516 3.190 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCCC23CCC3)c2ccccc2)CC1 ZINC000573058613 459616584 /nfs/dbraw/zinc/61/65/84/459616584.db2.gz BZKHFBQXHIBYHM-UXHICEINSA-N 2 0 327.516 3.288 20 0 EGADRP C[C@H](CNc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000527354658 459634729 /nfs/dbraw/zinc/63/47/29/459634729.db2.gz UVXHGKMBICAEFK-OAHLLOKOSA-N 2 0 328.435 3.188 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NC1CC[NH2+]CC1)C1CCCCC1 ZINC000562746849 459639269 /nfs/dbraw/zinc/63/92/69/459639269.db2.gz XAMWGOFDTACWEJ-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC000562748034 459640436 /nfs/dbraw/zinc/64/04/36/459640436.db2.gz IWJUOZVYEHWXDG-DHSIGJKJSA-N 2 0 349.906 3.343 20 0 EGADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@H]3CCSC3)cc2)C[C@H]1C ZINC000543414865 459653783 /nfs/dbraw/zinc/65/37/83/459653783.db2.gz CJYXXQSZDWXACX-LMMKCTJWSA-N 2 0 348.556 3.291 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000584110744 459657349 /nfs/dbraw/zinc/65/73/49/459657349.db2.gz QSYBZGNBCZVABW-HKUYNNGSSA-N 2 0 331.504 3.237 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000562957104 459679939 /nfs/dbraw/zinc/67/99/39/459679939.db2.gz WJGISCDIGDCZFY-IYWMVGAKSA-N 2 0 334.479 3.149 20 0 EGADRP Fc1c(Br)ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000527637850 459680166 /nfs/dbraw/zinc/68/01/66/459680166.db2.gz PJCYOXPBEVMYKC-SNVBAGLBSA-N 2 0 345.231 3.301 20 0 EGADRP Fc1c(Br)ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000527638568 459680365 /nfs/dbraw/zinc/68/03/65/459680365.db2.gz VMMHWKPJKPLOKW-VXGBXAGGSA-N 2 0 345.231 3.444 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000563056397 459706833 /nfs/dbraw/zinc/70/68/33/459706833.db2.gz FUKRTEKVKDCWOC-APWZRJJASA-N 2 0 347.503 3.253 20 0 EGADRP CC(C)C[C@H](CNC(=O)c1coc(C[NH3+])c1)[NH2+][C@H](C)c1ccccc1 ZINC000563074787 459711032 /nfs/dbraw/zinc/71/10/32/459711032.db2.gz PQZHBGWRUDZEQM-CRAIPNDOSA-N 2 0 343.471 3.234 20 0 EGADRP CSCC1(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000596652434 459715907 /nfs/dbraw/zinc/71/59/07/459715907.db2.gz UHYADUFNDCFJOL-QFBILLFUSA-N 2 0 332.513 3.365 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000573787664 459733958 /nfs/dbraw/zinc/73/39/58/459733958.db2.gz IYROCVAYLTVEJT-YOEHRIQHSA-N 2 0 326.444 3.262 20 0 EGADRP CCCN(C(=O)CCCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563202095 459737382 /nfs/dbraw/zinc/73/73/82/459737382.db2.gz SXJWHCRLGMTKEU-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP CSC[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000584465143 459745096 /nfs/dbraw/zinc/74/50/96/459745096.db2.gz VLFARDAVNSLTNL-IBGZPJMESA-N 2 0 344.524 3.229 20 0 EGADRP CC(C)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000584463853 459745176 /nfs/dbraw/zinc/74/51/76/459745176.db2.gz KRVSYQMNFYEORY-DSKINZAPSA-N 2 0 329.532 3.047 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)[NH+]1CCCCC1 ZINC000544374295 459752786 /nfs/dbraw/zinc/75/27/86/459752786.db2.gz GQAMWMICHBJLAY-OALUTQOASA-N 2 0 345.531 3.438 20 0 EGADRP C[C@@H](CCc1ccccc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544486277 459763863 /nfs/dbraw/zinc/76/38/63/459763863.db2.gz DXPITKYCABWBLX-FQEVSTJZSA-N 2 0 343.559 3.357 20 0 EGADRP CC1=CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000566024102 459795033 /nfs/dbraw/zinc/79/50/33/459795033.db2.gz GTBDPXABNPRXIA-NRFANRHFSA-N 2 0 327.516 3.283 20 0 EGADRP O=C(CC[NH2+]C[C@@H]1CCCN1Cc1ccccc1)Nc1ccccc1 ZINC000566117858 459808871 /nfs/dbraw/zinc/80/88/71/459808871.db2.gz VBDRFHLESXKGFN-FQEVSTJZSA-N 2 0 337.467 3.269 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCC[NH+](C)C)C1 ZINC000584830618 459809993 /nfs/dbraw/zinc/80/99/93/459809993.db2.gz LSBZHFGLUVCYNN-SFHVURJKSA-N 2 0 345.531 3.267 20 0 EGADRP CCc1cccc2cc(C[N@H+]3CC[C@@H](N4CC[NH+](CC)CC4)C3)oc21 ZINC000597004321 459816778 /nfs/dbraw/zinc/81/67/78/459816778.db2.gz ZYEZXHAMCMRXCZ-LJQANCHMSA-N 2 0 341.499 3.207 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000566171621 459817886 /nfs/dbraw/zinc/81/78/86/459817886.db2.gz OTIJOAVGFRIVKP-QGZVFWFLSA-N 2 0 345.531 3.455 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000574425142 459818205 /nfs/dbraw/zinc/81/82/05/459818205.db2.gz VKZTXKWDJNUZFS-IBGZPJMESA-N 2 0 344.503 3.325 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccco1 ZINC000545309882 459823096 /nfs/dbraw/zinc/82/30/96/459823096.db2.gz MXMYRSIUIHGNQY-SFHVURJKSA-N 2 0 349.519 3.433 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566213110 459823882 /nfs/dbraw/zinc/82/38/82/459823882.db2.gz YGVVHLMZZWMBQZ-PKOBYXMFSA-N 2 0 331.504 3.166 20 0 EGADRP COC(=O)c1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1F ZINC000597048487 459824402 /nfs/dbraw/zinc/82/44/02/459824402.db2.gz VFPXOUULBFNJMH-UHFFFAOYSA-N 2 0 336.451 3.214 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000566245642 459827872 /nfs/dbraw/zinc/82/78/72/459827872.db2.gz ZIJGEHNQOWDUBI-CQSZACIVSA-N 2 0 338.455 3.280 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000575052606 459916832 /nfs/dbraw/zinc/91/68/32/459916832.db2.gz CPGFOBREMNPNTR-YOEHRIQHSA-N 2 0 344.421 3.464 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)c4ccccc34)C2)CC1 ZINC000602463454 459950267 /nfs/dbraw/zinc/95/02/67/459950267.db2.gz GGZBHSYIHLCORE-GOSISDBHSA-N 2 0 341.474 3.191 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CCCCC2)[C@@H](C)C1 ZINC000575624330 459989744 /nfs/dbraw/zinc/98/97/44/459989744.db2.gz AJXNAURQEXJLBT-RBUKOAKNSA-N 2 0 340.552 3.310 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000621718740 460023977 /nfs/dbraw/zinc/02/39/77/460023977.db2.gz RMFIAYVKTDQBJA-VQIMIIECSA-N 2 0 335.561 3.158 20 0 EGADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000575934328 460035411 /nfs/dbraw/zinc/03/54/11/460035411.db2.gz JVIRYHPKJPZHLM-MRXNPFEDSA-N 2 0 340.471 3.110 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602642676 460038450 /nfs/dbraw/zinc/03/84/50/460038450.db2.gz FXVYDFUFYLCAQL-DMUMMCEESA-N 2 0 342.483 3.286 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000589167020 460044374 /nfs/dbraw/zinc/04/43/74/460044374.db2.gz FVXYVLXHJILYLR-DDKKJVIOSA-N 2 0 349.469 3.078 20 0 EGADRP Cc1ncncc1[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000576172405 460084083 /nfs/dbraw/zinc/08/40/83/460084083.db2.gz LOZSDMHDHVIXOO-HZPDHXFCSA-N 2 0 325.460 3.056 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](C)C[C@H]2CC)cc1 ZINC000614335605 460103671 /nfs/dbraw/zinc/10/36/71/460103671.db2.gz QQNSTFTUHWJKIR-HXUWFJFHSA-N 2 0 345.531 3.475 20 0 EGADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000576364416 460126870 /nfs/dbraw/zinc/12/68/70/460126870.db2.gz GPGZNCAQBZFGFM-IRFCIJBXSA-N 2 0 327.516 3.428 20 0 EGADRP CC[NH+](CC)CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576505074 460155760 /nfs/dbraw/zinc/15/57/60/460155760.db2.gz GEYYPVRUALUIKV-NHCUHLMSSA-N 2 0 329.532 3.172 20 0 EGADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000576607772 460179163 /nfs/dbraw/zinc/17/91/63/460179163.db2.gz GOKKHYHGDDFTBI-PKOBYXMFSA-N 2 0 336.907 3.051 20 0 EGADRP CCC(CC)(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000576821570 460218345 /nfs/dbraw/zinc/21/83/45/460218345.db2.gz SHCCGJVSJXSKGU-ZACQAIPSSA-N 2 0 348.535 3.321 20 0 EGADRP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062494 460358783 /nfs/dbraw/zinc/35/87/83/460358783.db2.gz UPFJLGQEDDJKLJ-IAGOWNOFSA-N 2 0 333.520 3.263 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000631623976 460476630 /nfs/dbraw/zinc/47/66/30/460476630.db2.gz KDENHHGLPDEEFY-ANULTFPQSA-N 2 0 340.511 3.446 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3ncccc23)[C@H](C)C1 ZINC000634687500 460477666 /nfs/dbraw/zinc/47/76/66/460477666.db2.gz NGXMKUVTUJYRSN-XLIONFOSSA-N 2 0 341.499 3.461 20 0 EGADRP Fc1ccc(-n2cc(C[NH2+]CCCCC[NH+]3CCCCC3)nn2)cc1 ZINC000623417685 460537799 /nfs/dbraw/zinc/53/77/99/460537799.db2.gz KNIQALLGUQDXCD-UHFFFAOYSA-N 2 0 345.466 3.152 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000623860427 460748655 /nfs/dbraw/zinc/74/86/55/460748655.db2.gz WQYVPNSVRWIFHS-RTWAWAEBSA-N 2 0 331.548 3.259 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000623897375 460767026 /nfs/dbraw/zinc/76/70/26/460767026.db2.gz LDBOLEKFXQISGA-KRWDZBQOSA-N 2 0 347.890 3.245 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000629545033 460802531 /nfs/dbraw/zinc/80/25/31/460802531.db2.gz ALSBYQMCZOWRGU-DFQSSKMNSA-N 2 0 331.504 3.374 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543453 460803307 /nfs/dbraw/zinc/80/33/07/460803307.db2.gz BTRQKXJFRBTEFA-FVQBIDKESA-N 2 0 325.859 3.307 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561852 460808620 /nfs/dbraw/zinc/80/86/20/460808620.db2.gz JVHZTHPZRZENBI-JKSUJKDBSA-N 2 0 330.394 3.052 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000607281700 460819961 /nfs/dbraw/zinc/81/99/61/460819961.db2.gz YDEMDRRREZOROD-IXDOHACOSA-N 2 0 331.504 3.105 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635573528 460837990 /nfs/dbraw/zinc/83/79/90/460837990.db2.gz GQKKHFSBPDOORB-KRWDZBQOSA-N 2 0 345.531 3.306 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629656182 460850682 /nfs/dbraw/zinc/85/06/82/460850682.db2.gz MWTIXUCGJXGNGR-GZBFAFLISA-N 2 0 328.378 3.012 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629656184 460850909 /nfs/dbraw/zinc/85/09/09/460850909.db2.gz MWTIXUCGJXGNGR-UMVBOHGHSA-N 2 0 328.378 3.012 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc(OC)c1OC ZINC000624119698 460868590 /nfs/dbraw/zinc/86/85/90/460868590.db2.gz HJAGUZXOBJVVOO-GJZGRUSLSA-N 2 0 336.476 3.095 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624121460 460870623 /nfs/dbraw/zinc/87/06/23/460870623.db2.gz XBBROBIUNIFHKV-JKSUJKDBSA-N 2 0 344.503 3.353 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000613491303 460970119 /nfs/dbraw/zinc/97/01/19/460970119.db2.gz NLRDXTGNBWAEQE-GOSISDBHSA-N 2 0 332.488 3.270 20 0 EGADRP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)C1CCC1 ZINC000629952195 460973114 /nfs/dbraw/zinc/97/31/14/460973114.db2.gz AODQXSMWGRHCDD-UHFFFAOYSA-N 2 0 329.488 3.485 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccs2)CC1 ZINC000608070841 460978812 /nfs/dbraw/zinc/97/88/12/460978812.db2.gz LICRJUCUCZBJRD-UHFFFAOYSA-N 2 0 335.904 3.443 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C[N@H+](C)C3CCC3)c2)CC1 ZINC000629976648 460983401 /nfs/dbraw/zinc/98/34/01/460983401.db2.gz QZSFCDAKVKRTIC-UHFFFAOYSA-N 2 0 343.515 3.384 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000635990169 460999655 /nfs/dbraw/zinc/99/96/55/460999655.db2.gz MXTKIPNCVRWVQJ-IBGZPJMESA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183223 461035915 /nfs/dbraw/zinc/03/59/15/461035915.db2.gz UPRISHQOYQVXLQ-HIFRSBDPSA-N 2 0 340.309 3.457 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000628238088 461059055 /nfs/dbraw/zinc/05/90/55/461059055.db2.gz KSNCTMDWVADAIY-UHFFFAOYSA-N 2 0 340.515 3.017 20 0 EGADRP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000633372012 461061573 /nfs/dbraw/zinc/06/15/73/461061573.db2.gz GYAMRGYLVSMXRV-IBGZPJMESA-N 2 0 347.503 3.206 20 0 EGADRP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652347226 461142303 /nfs/dbraw/zinc/14/23/03/461142303.db2.gz WPXOVOAZSWRVJJ-QKNQBKEWSA-N 2 0 346.515 3.291 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652354136 461149545 /nfs/dbraw/zinc/14/95/45/461149545.db2.gz NUMFCGCBPCLNGP-GOEBONIOSA-N 2 0 335.517 3.186 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000652358771 461152972 /nfs/dbraw/zinc/15/29/72/461152972.db2.gz ZVFGFZAJBQUKID-UHFFFAOYSA-N 2 0 339.483 3.254 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2Cl)C1 ZINC000652361088 461155289 /nfs/dbraw/zinc/15/52/89/461155289.db2.gz YDGZULPWGBNCIW-OAUYIBNBSA-N 2 0 326.843 3.340 20 0 EGADRP CCc1nocc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270817 461158094 /nfs/dbraw/zinc/15/80/94/461158094.db2.gz OPNXJAUBRCUWLB-YLJYHZDGSA-N 2 0 327.472 3.409 20 0 EGADRP COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363463 461158412 /nfs/dbraw/zinc/15/84/12/461158412.db2.gz FMCRCAZMRHPOEI-JZXOWHBKSA-N 2 0 338.879 3.209 20 0 EGADRP COc1ccc(-c2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)on2)cc1 ZINC000662275208 461160127 /nfs/dbraw/zinc/16/01/27/461160127.db2.gz VTVIFBJKUSMUJU-LJQANCHMSA-N 2 0 341.455 3.314 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000662273024 461161320 /nfs/dbraw/zinc/16/13/20/461161320.db2.gz JMYNAAOGVFAMLP-IAGOWNOFSA-N 2 0 341.455 3.172 20 0 EGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1cccc(Cl)c1 ZINC000662290763 461167635 /nfs/dbraw/zinc/16/76/35/461167635.db2.gz JQQLIGWCHWHCFP-MRXNPFEDSA-N 2 0 349.906 3.380 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290701 461167675 /nfs/dbraw/zinc/16/76/75/461167675.db2.gz IIFHSLJUUUERSK-GDBMZVCRSA-N 2 0 349.906 3.379 20 0 EGADRP Cc1cncc(CC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549161 461168702 /nfs/dbraw/zinc/16/87/02/461168702.db2.gz WCVPALCYWFDHJL-WIYYLYMNSA-N 2 0 338.499 3.312 20 0 EGADRP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662295118 461171875 /nfs/dbraw/zinc/17/18/75/461171875.db2.gz FJMWVKLHKFKWRZ-INIZCTEOSA-N 2 0 344.434 3.087 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295199 461172880 /nfs/dbraw/zinc/17/28/80/461172880.db2.gz FWWJWQKWQGWKAA-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP c1csc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662298025 461174522 /nfs/dbraw/zinc/17/45/22/461174522.db2.gz UAGPPVNGUPSCDU-AWEZNQCLSA-N 2 0 332.473 3.010 20 0 EGADRP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313261 461186245 /nfs/dbraw/zinc/18/62/45/461186245.db2.gz ILWSCYYHFQTEAD-RHSMWYFYSA-N 2 0 335.517 3.186 20 0 EGADRP C[C@H](c1cccnc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327536 461194761 /nfs/dbraw/zinc/19/47/61/461194761.db2.gz RAXRVNSRHSEAHW-OAHLLOKOSA-N 2 0 339.487 3.212 20 0 EGADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000638050775 461214755 /nfs/dbraw/zinc/21/47/55/461214755.db2.gz RQIKYUOXKNZSTL-DZGCQCFKSA-N 2 0 338.521 3.077 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646382821 461225214 /nfs/dbraw/zinc/22/52/14/461225214.db2.gz VXWXBVQCMFEJCC-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)CC1 ZINC000636683352 461250181 /nfs/dbraw/zinc/25/01/81/461250181.db2.gz GIBFFMRHVLFMMM-LJQANCHMSA-N 2 0 341.499 3.118 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CC2CCSCC2)CC1 ZINC000638129906 461261794 /nfs/dbraw/zinc/26/17/94/461261794.db2.gz CSHCDBRXBIQMCP-UHFFFAOYSA-N 2 0 328.566 3.200 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C)C1)CC2 ZINC000638178587 461290476 /nfs/dbraw/zinc/29/04/76/461290476.db2.gz ORFAABHEPLWGJV-KBAYOESNSA-N 2 0 330.472 3.107 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662593755 461310577 /nfs/dbraw/zinc/31/05/77/461310577.db2.gz QFSMUOICTDLZOK-QZTJIDSGSA-N 2 0 337.552 3.301 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000662742450 461364154 /nfs/dbraw/zinc/36/41/54/461364154.db2.gz VHYQHZDWPIKGAU-INIZCTEOSA-N 2 0 344.503 3.153 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000638330137 461372866 /nfs/dbraw/zinc/37/28/66/461372866.db2.gz QJZJAZNIMXDJLJ-RTWAWAEBSA-N 2 0 346.515 3.060 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641799363 461377522 /nfs/dbraw/zinc/37/75/22/461377522.db2.gz LNNJCRMTFZKDER-YJBOKZPZSA-N 2 0 331.485 3.015 20 0 EGADRP CC1(C)[C@H]([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1[NH3+] ZINC000641807095 461382457 /nfs/dbraw/zinc/38/24/57/461382457.db2.gz QIWGAUGRELBIBN-NWDGAFQWSA-N 2 0 330.259 3.037 20 0 EGADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000641807094 461382670 /nfs/dbraw/zinc/38/26/70/461382670.db2.gz QIWGAUGRELBIBN-NEPJUHHUSA-N 2 0 330.259 3.037 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655745436 461413072 /nfs/dbraw/zinc/41/30/72/461413072.db2.gz RFGTZVHALIIGCN-OAQYLSRUSA-N 2 0 343.515 3.338 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655748604 461414677 /nfs/dbraw/zinc/41/46/77/461414677.db2.gz DHOCIZOAWACFJI-HXUWFJFHSA-N 2 0 331.504 3.112 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCOC1 ZINC000638444994 461431689 /nfs/dbraw/zinc/43/16/89/461431689.db2.gz HDYUZLUAFIYBQJ-SFTDATJTSA-N 2 0 346.515 3.204 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000652988132 461441303 /nfs/dbraw/zinc/44/13/03/461441303.db2.gz LYHWHTZHHYVOOM-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3csc(C(C)(C)C)n3)c2)CC1 ZINC000630961260 461442534 /nfs/dbraw/zinc/44/25/34/461442534.db2.gz NPEROHPSQCUYFR-UHFFFAOYSA-N 2 0 345.516 3.200 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)N1CC[NH+](C)CC1 ZINC000666082357 461445700 /nfs/dbraw/zinc/44/57/00/461445700.db2.gz UQTDNMWTBGAGFN-FXAWDEMLSA-N 2 0 349.950 3.059 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858620 461461578 /nfs/dbraw/zinc/46/15/78/461461578.db2.gz XMCHNUSNUMGSRI-BBRMVZONSA-N 2 0 332.410 3.399 20 0 EGADRP CC[C@H](CC(F)F)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000659866517 461469542 /nfs/dbraw/zinc/46/95/42/461469542.db2.gz SYRQCBBHAAZWIL-IXDOHACOSA-N 2 0 331.495 3.158 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000653105695 461503346 /nfs/dbraw/zinc/50/33/46/461503346.db2.gz GPHGLBGJFUTYET-IAGOWNOFSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000653119653 461510072 /nfs/dbraw/zinc/51/00/72/461510072.db2.gz RPLBKQYHUOLAIM-MJGOQNOKSA-N 2 0 343.515 3.156 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC([C@@H]4CCC[NH2+]4)CC3)c2cc1OC ZINC000663236001 461521510 /nfs/dbraw/zinc/52/15/10/461521510.db2.gz CTMIOOOJPWENIA-INIZCTEOSA-N 2 0 341.455 3.220 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638700545 461542996 /nfs/dbraw/zinc/54/29/96/461542996.db2.gz ZFENKTJMTQGCPL-IBGZPJMESA-N 2 0 336.495 3.218 20 0 EGADRP c1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663346710 461577453 /nfs/dbraw/zinc/57/74/53/461577453.db2.gz DCIUCALOSABDKI-NRFANRHFSA-N 2 0 341.543 3.363 20 0 EGADRP CCOc1ccc(C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000663373355 461598382 /nfs/dbraw/zinc/59/83/82/461598382.db2.gz BBAKZYOCUFQVRJ-UHFFFAOYSA-N 2 0 336.439 3.284 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cc(C)nc(C)n2)CC1)CC1CC1 ZINC000660168447 461618925 /nfs/dbraw/zinc/61/89/25/461618925.db2.gz RCXGERPLZMFHLJ-UHFFFAOYSA-N 2 0 330.520 3.427 20 0 EGADRP CC(C)[C@@H]1[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC12CCOCC2 ZINC000666448696 461633334 /nfs/dbraw/zinc/63/33/34/461633334.db2.gz IXHBOGDFXUONOG-FQEVSTJZSA-N 2 0 346.515 3.264 20 0 EGADRP COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000656201259 461645968 /nfs/dbraw/zinc/64/59/68/461645968.db2.gz MHYJHKQDJDLHTF-SUMWQHHRSA-N 2 0 327.428 3.032 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000663471767 461662151 /nfs/dbraw/zinc/66/21/51/461662151.db2.gz XWVHOJOECIJPOL-DOTOQJQBSA-N 2 0 330.472 3.230 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669418371 461668378 /nfs/dbraw/zinc/66/83/78/461668378.db2.gz JWZNZRATMZKQDY-AYOQOUSVSA-N 2 0 347.572 3.388 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000660256358 461669105 /nfs/dbraw/zinc/66/91/05/461669105.db2.gz KSBNRWKBXBYWEA-SOUVJXGZSA-N 2 0 346.437 3.488 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663595680 461717823 /nfs/dbraw/zinc/71/78/23/461717823.db2.gz JFXDHOIOIPESLG-GOSISDBHSA-N 2 0 344.503 3.040 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1[NH3+] ZINC000647497266 461735022 /nfs/dbraw/zinc/73/50/22/461735022.db2.gz BFSAAHCONYUNTK-PXNSSMCTSA-N 2 0 325.456 3.220 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)C[C@@H]21 ZINC000647511410 461740921 /nfs/dbraw/zinc/74/09/21/461740921.db2.gz IQDIACCQHDMWTK-VDZJLULYSA-N 2 0 344.890 3.144 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508183 461749326 /nfs/dbraw/zinc/74/93/26/461749326.db2.gz RLOZRGFADBHLFN-CQSZACIVSA-N 2 0 325.884 3.343 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000643524179 461752064 /nfs/dbraw/zinc/75/20/64/461752064.db2.gz SRZTYBFKCRCYME-NSHGMRRFSA-N 2 0 325.456 3.234 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCO1 ZINC000643535981 461756151 /nfs/dbraw/zinc/75/61/51/461756151.db2.gz LODDGQCHACEIPY-OKZBNKHCSA-N 2 0 334.891 3.162 20 0 EGADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000647543477 461757019 /nfs/dbraw/zinc/75/70/19/461757019.db2.gz OFGNCXHOFRRQFX-DLBZAZTESA-N 2 0 330.472 3.060 20 0 EGADRP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC000647544084 461760197 /nfs/dbraw/zinc/76/01/97/461760197.db2.gz WMXCDIFKNMJSFZ-JKSUJKDBSA-N 2 0 330.501 3.145 20 0 EGADRP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647549426 461762461 /nfs/dbraw/zinc/76/24/61/461762461.db2.gz ZBZHQGDDWVLJFH-UWWQBHOKSA-N 2 0 341.430 3.491 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660472390 461799380 /nfs/dbraw/zinc/79/93/80/461799380.db2.gz FMUZBUVFDLDOAB-IBGZPJMESA-N 2 0 331.504 3.200 20 0 EGADRP CC[C@H]1C[NH+](CC2(C[N@@H+]3CCCO[C@@H](CC)C3)CCC2)CCCO1 ZINC000660469889 461799474 /nfs/dbraw/zinc/79/94/74/461799474.db2.gz RFJHSZUWQNNLQD-OALUTQOASA-N 2 0 338.536 3.159 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828217 461825696 /nfs/dbraw/zinc/82/56/96/461825696.db2.gz JDRAZKXIFHLKHT-MRXNPFEDSA-N 2 0 332.488 3.040 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC000647784605 461833124 /nfs/dbraw/zinc/83/31/24/461833124.db2.gz ZOEOLYYGCLASDN-RBSFLKMASA-N 2 0 340.414 3.164 20 0 EGADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647784613 461833491 /nfs/dbraw/zinc/83/34/91/461833491.db2.gz ZXYLCGUVLNLKNN-KZNAEPCWSA-N 2 0 329.488 3.149 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(OCC(F)(F)F)c1 ZINC000647789020 461835793 /nfs/dbraw/zinc/83/57/93/461835793.db2.gz WZHDVHCCIXIURN-NUEKZKHPSA-N 2 0 342.405 3.414 20 0 EGADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1OC(F)F ZINC000647789658 461836116 /nfs/dbraw/zinc/83/61/16/461836116.db2.gz ITLKPJYZKZJUMY-AEGPPILISA-N 2 0 340.414 3.164 20 0 EGADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000647790023 461836636 /nfs/dbraw/zinc/83/66/36/461836636.db2.gz QAGRVEDBSSGOJT-OKZBNKHCSA-N 2 0 325.456 3.170 20 0 EGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793312 461838632 /nfs/dbraw/zinc/83/86/32/461838632.db2.gz SYKFLSZKXLNQIR-GVDBMIGSSA-N 2 0 342.405 3.243 20 0 EGADRP CCc1nc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2n1C1CC1 ZINC000647796961 461839242 /nfs/dbraw/zinc/83/92/42/461839242.db2.gz SFFWGXLERZHSRU-IXDOHACOSA-N 2 0 338.499 3.411 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858020 461839356 /nfs/dbraw/zinc/83/93/56/461839356.db2.gz UBBDWVQWGRJFEH-GXTWGEPZSA-N 2 0 343.393 3.154 20 0 EGADRP FC(F)Oc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000666856634 461839386 /nfs/dbraw/zinc/83/93/86/461839386.db2.gz VOGGISFXKRAHAE-NSHDSACASA-N 2 0 349.219 3.282 20 0 EGADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647796750 461839898 /nfs/dbraw/zinc/83/98/98/461839898.db2.gz LZIDOPWNCGFVJZ-OWCLPIDISA-N 2 0 342.405 3.148 20 0 EGADRP Brc1ccc(/C=C/C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647798970 461841093 /nfs/dbraw/zinc/84/10/93/461841093.db2.gz ZWOCWPKQKNMUOJ-DASIQFEBSA-N 2 0 335.289 3.440 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000647797938 461841794 /nfs/dbraw/zinc/84/17/94/461841794.db2.gz HSQJRXDZUHIZHQ-QMCVQRASSA-N 2 0 328.435 3.050 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000647803163 461845564 /nfs/dbraw/zinc/84/55/64/461845564.db2.gz JRVUYLIVHNZPOX-CABCVRRESA-N 2 0 328.456 3.444 20 0 EGADRP COc1cc(CN(C)C[C@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000647872605 461865704 /nfs/dbraw/zinc/86/57/04/461865704.db2.gz GELWUTVZRTWCJQ-IBGZPJMESA-N 2 0 340.467 3.316 20 0 EGADRP Clc1sc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666955525 461887866 /nfs/dbraw/zinc/88/78/66/461887866.db2.gz VUUSIUUXVWCWTB-JTQLQIEISA-N 2 0 335.698 3.396 20 0 EGADRP Clc1ccc2nc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000656786246 461897647 /nfs/dbraw/zinc/89/76/47/461897647.db2.gz QVLDPJLGAFLPDH-HNNXBMFYSA-N 2 0 332.879 3.199 20 0 EGADRP Cc1nc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cc2s1 ZINC000650707291 461899774 /nfs/dbraw/zinc/89/97/74/461899774.db2.gz CLDDCNQBUFUOPZ-BQFCYCMXSA-N 2 0 345.512 3.323 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)c1 ZINC000666995328 461902972 /nfs/dbraw/zinc/90/29/72/461902972.db2.gz KDJNMGWGKLGQJU-SJORKVTESA-N 2 0 329.488 3.285 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000666995131 461903509 /nfs/dbraw/zinc/90/35/09/461903509.db2.gz DQHVRSWCKMOHAD-RLLQIKCJSA-N 2 0 327.516 3.304 20 0 EGADRP c1ccc(CCN2CCC([NH2+][C@@H]3CNc4ccccc4C3)CC2)cc1 ZINC000650716312 461907678 /nfs/dbraw/zinc/90/76/78/461907678.db2.gz XCYZQYLVZLZYJW-NRFANRHFSA-N 2 0 335.495 3.320 20 0 EGADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656042 461907782 /nfs/dbraw/zinc/90/77/82/461907782.db2.gz PHWSLNWVDIUELN-NRFANRHFSA-N 2 0 343.515 3.440 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OCC ZINC000650718215 461910019 /nfs/dbraw/zinc/91/00/19/461910019.db2.gz CMAGUZGIHMAIFU-UHFFFAOYSA-N 2 0 332.419 3.372 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000650724071 461916299 /nfs/dbraw/zinc/91/62/99/461916299.db2.gz XWDPWFQFTAATKB-PVAVHDDUSA-N 2 0 326.843 3.340 20 0 EGADRP CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)c2O1 ZINC000650723667 461916398 /nfs/dbraw/zinc/91/63/98/461916398.db2.gz ROICSYKFLMOGGI-OTWHNJEPSA-N 2 0 344.499 3.261 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975083 461917006 /nfs/dbraw/zinc/91/70/06/461917006.db2.gz KENVEPBFIDZIHL-HOTGVXAUSA-N 2 0 349.906 3.299 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000650723639 461917029 /nfs/dbraw/zinc/91/70/29/461917029.db2.gz RHQBFKAQCMJNHP-DJIMGWMZSA-N 2 0 326.843 3.340 20 0 EGADRP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647977884 461920008 /nfs/dbraw/zinc/92/00/08/461920008.db2.gz JLGAOPBWLNKPGZ-DLBZAZTESA-N 2 0 342.462 3.223 20 0 EGADRP COc1cccc(C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C2CC2)c1 ZINC000650753642 461935078 /nfs/dbraw/zinc/93/50/78/461935078.db2.gz RZCSHUWVKOJIPX-HXUWFJFHSA-N 2 0 328.431 3.404 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650753535 461935335 /nfs/dbraw/zinc/93/53/35/461935335.db2.gz PMBXKJZAZHHJNQ-LBPRGKRZSA-N 2 0 341.430 3.365 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000650763737 461941602 /nfs/dbraw/zinc/94/16/02/461941602.db2.gz IIVUVTYICXOFKE-CQSZACIVSA-N 2 0 330.451 3.360 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000650764138 461941643 /nfs/dbraw/zinc/94/16/43/461941643.db2.gz QVYAEBOMEWQXEC-CQSZACIVSA-N 2 0 330.476 3.011 20 0 EGADRP Fc1ccc([C@@H]([NH2+]CCC2CC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000650763190 461942312 /nfs/dbraw/zinc/94/23/12/461942312.db2.gz UEBQGFSHGNTEBI-IBGZPJMESA-N 2 0 331.410 3.429 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000650763198 461942509 /nfs/dbraw/zinc/94/25/09/461942509.db2.gz UOSTVKOHUULRTP-SNVBAGLBSA-N 2 0 330.245 3.024 20 0 EGADRP C[NH+](C)C[C@@H]1CCN(Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639489106 461950738 /nfs/dbraw/zinc/95/07/38/461950738.db2.gz NANUOQPUWDIZOT-HNNXBMFYSA-N 2 0 336.439 3.273 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c2)CC1 ZINC000644535772 461975746 /nfs/dbraw/zinc/97/57/46/461975746.db2.gz AHJSFVTVTFUWJO-QGZVFWFLSA-N 2 0 344.421 3.321 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000644550723 461982414 /nfs/dbraw/zinc/98/24/14/461982414.db2.gz SRXVJDIZHZOUGZ-MXASKKJJSA-N 2 0 348.453 3.465 20 0 EGADRP Cc1cc(NC(=O)N2CCC(C)([NH3+])CC2)cnc1N1CCCC[C@@H]1C ZINC000667345688 462050532 /nfs/dbraw/zinc/05/05/32/462050532.db2.gz KKNFPUXLWBLNOL-HNNXBMFYSA-N 2 0 345.491 3.114 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657376735 462082798 /nfs/dbraw/zinc/08/27/98/462082798.db2.gz NYXHSKNFWAUPDB-HXUWFJFHSA-N 2 0 332.488 3.066 20 0 EGADRP CCc1cccc2cc(C[NH2+]CCN3CCC([NH+](C)C)CC3)oc21 ZINC000657386106 462089975 /nfs/dbraw/zinc/08/99/75/462089975.db2.gz BKQZGNQHEPFDFG-UHFFFAOYSA-N 2 0 329.488 3.111 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cnc2n1CCC2 ZINC000657399226 462098382 /nfs/dbraw/zinc/09/83/82/462098382.db2.gz QYVMQXIXOFOZMP-LFUKPOHLSA-N 2 0 338.499 3.076 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664597888 462119024 /nfs/dbraw/zinc/11/90/24/462119024.db2.gz CVJFNFQDZAYEGC-QGZVFWFLSA-N 2 0 339.483 3.141 20 0 EGADRP COCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000657546995 462176572 /nfs/dbraw/zinc/17/65/72/462176572.db2.gz KCGSDIAULYLTOI-UHFFFAOYSA-N 2 0 332.488 3.210 20 0 EGADRP Cc1ccc(C(=O)NC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000639962350 462194614 /nfs/dbraw/zinc/19/46/14/462194614.db2.gz ROBORSBTVJALGM-FQEVSTJZSA-N 2 0 343.515 3.064 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727966 462233388 /nfs/dbraw/zinc/23/33/88/462233388.db2.gz LOVYPDYJPYATSB-AEFFLSMTSA-N 2 0 344.503 3.264 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000667733416 462237422 /nfs/dbraw/zinc/23/74/22/462237422.db2.gz CTODXWXOIKERFA-BEFAXECRSA-N 2 0 340.471 3.267 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(F)c(OC)cc2OC)CC1 ZINC000651614497 462278331 /nfs/dbraw/zinc/27/83/31/462278331.db2.gz LVTRTVVBEOSGIJ-UHFFFAOYSA-N 2 0 338.467 3.397 20 0 EGADRP Cn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(-c2ccccc2)n1 ZINC000657813524 462279891 /nfs/dbraw/zinc/27/98/91/462279891.db2.gz QHHUNCHQFOLARW-UHFFFAOYSA-N 2 0 338.499 3.299 20 0 EGADRP CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648794084 462279926 /nfs/dbraw/zinc/27/99/26/462279926.db2.gz QVNFONRCDUFGML-IBGZPJMESA-N 2 0 346.515 3.144 20 0 EGADRP CO[C@H]([C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000648796993 462282008 /nfs/dbraw/zinc/28/20/08/462282008.db2.gz AEBVQQVJDOUNKI-OXJNMPFZSA-N 2 0 332.488 3.064 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000667854263 462295478 /nfs/dbraw/zinc/29/54/78/462295478.db2.gz GIPIULZYTLQKSA-LPHOPBHVSA-N 2 0 344.503 3.312 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000657868662 462303386 /nfs/dbraw/zinc/30/33/86/462303386.db2.gz CMXXAEUOFKDOIV-VQIMIIECSA-N 2 0 337.939 3.134 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc3cnccc3o2)cc1 ZINC000651699912 462309033 /nfs/dbraw/zinc/30/90/33/462309033.db2.gz LJUVNTFJCGLOOA-UHFFFAOYSA-N 2 0 339.439 3.448 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657905725 462312880 /nfs/dbraw/zinc/31/28/80/462312880.db2.gz LYCOVUBIWPUFCV-SFHVURJKSA-N 2 0 344.543 3.321 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648872479 462313914 /nfs/dbraw/zinc/31/39/14/462313914.db2.gz ZEEVINGFFRJTQN-HXUWFJFHSA-N 2 0 345.531 3.076 20 0 EGADRP C[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000651727932 462317512 /nfs/dbraw/zinc/31/75/12/462317512.db2.gz FYMKIVYOTBEJNI-SJLPKXTDSA-N 2 0 337.552 3.172 20 0 EGADRP Clc1cc(Cl)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665229372 462360444 /nfs/dbraw/zinc/36/04/44/462360444.db2.gz WYSCKCKKDNCWJO-ARFHVFGLSA-N 2 0 329.271 3.240 20 0 EGADRP [NH3+][C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c2ccccc21 ZINC000665253829 462370032 /nfs/dbraw/zinc/37/00/32/462370032.db2.gz AMLJUBNPUJUZAT-XWPNQZOQSA-N 2 0 325.431 3.006 20 0 EGADRP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC[NH2+]2)cc1 ZINC000665268312 462376871 /nfs/dbraw/zinc/37/68/71/462376871.db2.gz MDZSZUUCUBJEPX-SBHAEUEKSA-N 2 0 327.516 3.476 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277146 462380144 /nfs/dbraw/zinc/38/01/44/462380144.db2.gz UVJXYABXAHCMPR-ZCNNSNEGSA-N 2 0 327.516 3.148 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000649044129 462387920 /nfs/dbraw/zinc/38/79/20/462387920.db2.gz SWGZSYNXORAKKA-INIZCTEOSA-N 2 0 347.528 3.155 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000658165288 462415502 /nfs/dbraw/zinc/41/55/02/462415502.db2.gz IFUGTBBJMGWSBW-AWEZNQCLSA-N 2 0 330.501 3.409 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)CCc1nc(-c2ccccc2)no1 ZINC000640530958 462430439 /nfs/dbraw/zinc/43/04/39/462430439.db2.gz JQPHBNHZBIVUOO-UHFFFAOYSA-N 2 0 342.487 3.477 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)cc2c1OCOC2 ZINC000640532777 462431543 /nfs/dbraw/zinc/43/15/43/462431543.db2.gz WBHKXXCOEZVZNZ-UHFFFAOYSA-N 2 0 336.451 3.390 20 0 EGADRP COc1ccc(NC(=O)CC[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640532878 462432176 /nfs/dbraw/zinc/43/21/76/462432176.db2.gz KULZITZUFOLGTG-UHFFFAOYSA-N 2 0 347.503 3.222 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@H]1CCc2ccccc2NC1=O ZINC000640534660 462432908 /nfs/dbraw/zinc/43/29/08/462432908.db2.gz RGFMMMHLOIIWIC-IBGZPJMESA-N 2 0 329.488 3.138 20 0 EGADRP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000652150461 462451343 /nfs/dbraw/zinc/45/13/43/462451343.db2.gz XLAVXWIVJKHENW-PKOBYXMFSA-N 2 0 349.494 3.090 20 0 EGADRP CCC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658286774 462455423 /nfs/dbraw/zinc/45/54/23/462455423.db2.gz UZEFZGCDPDOQGO-NCYKPQTJSA-N 2 0 327.516 3.256 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000649278215 462465769 /nfs/dbraw/zinc/46/57/69/462465769.db2.gz TZBLWJIQDMTVIS-HNNXBMFYSA-N 2 0 337.533 3.155 20 0 EGADRP CC(C)([NH3+])CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000649279528 462465886 /nfs/dbraw/zinc/46/58/86/462465886.db2.gz WODNZQCTRPOHEP-MRXNPFEDSA-N 2 0 337.895 3.111 20 0 EGADRP CC(C)([NH3+])CCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000649312713 462476643 /nfs/dbraw/zinc/47/66/43/462476643.db2.gz MDCLYBWBLNEESI-UHFFFAOYSA-N 2 0 331.504 3.196 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000154188510 534446195 /nfs/dbraw/zinc/44/61/95/534446195.db2.gz ZALWNFHMYRDDOF-MDZLAQPJSA-N 2 0 331.323 3.371 20 0 EGADRP CC[NH+]1CCN(c2cccc(NC3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000191884790 527710916 /nfs/dbraw/zinc/71/09/16/527710916.db2.gz ZXBIZJXAYJZFFH-UHFFFAOYSA-N 2 0 330.520 3.113 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000181875556 527718978 /nfs/dbraw/zinc/71/89/78/527718978.db2.gz HXUGDXXXLMWIED-HOCLYGCPSA-N 2 0 334.460 3.449 20 0 EGADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155122554 527782496 /nfs/dbraw/zinc/78/24/96/527782496.db2.gz LWRORWQQGKOBRS-OALUTQOASA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1 ZINC000187783013 528151481 /nfs/dbraw/zinc/15/14/81/528151481.db2.gz PETGMATXOYBLCQ-QGZVFWFLSA-N 2 0 342.487 3.356 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132312659 528207870 /nfs/dbraw/zinc/20/78/70/528207870.db2.gz OTVXBFLKZRPIEQ-RXVVDRJESA-N 2 0 347.547 3.396 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000171460320 528261527 /nfs/dbraw/zinc/26/15/27/528261527.db2.gz QXXJEWFZOWUBTD-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000133157359 528606053 /nfs/dbraw/zinc/60/60/53/528606053.db2.gz FWJCKFBGGPEHMZ-DLBZAZTESA-N 2 0 332.488 3.237 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000191494507 529041563 /nfs/dbraw/zinc/04/15/63/529041563.db2.gz RXNVIEWAMBSNRD-QFIPXVFZSA-N 2 0 343.559 3.456 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000191502190 529042684 /nfs/dbraw/zinc/04/26/84/529042684.db2.gz VQWCXTMNLSWTEN-ICSRJNTNSA-N 2 0 347.522 3.420 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000154470105 529143839 /nfs/dbraw/zinc/14/38/39/529143839.db2.gz HJUACECIKGSMJM-OAHLLOKOSA-N 2 0 325.447 3.033 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000187191508 529151318 /nfs/dbraw/zinc/15/13/18/529151318.db2.gz NWYCINIIEJPPDI-YPAWHYETSA-N 2 0 341.543 3.209 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000158441490 529187250 /nfs/dbraw/zinc/18/72/50/529187250.db2.gz ZOHRKINJXPLXDT-HXUWFJFHSA-N 2 0 338.499 3.383 20 0 EGADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000236763606 535056801 /nfs/dbraw/zinc/05/68/01/535056801.db2.gz TWFOQBTYSVHSFB-IBGZPJMESA-N 2 0 331.504 3.051 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000246577867 535086470 /nfs/dbraw/zinc/08/64/70/535086470.db2.gz YJKXLZIEIXTJKC-QZTJIDSGSA-N 2 0 341.503 3.286 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000370495866 536355891 /nfs/dbraw/zinc/35/58/91/536355891.db2.gz GLMQLTMNMNBVQE-PMACEKPBSA-N 2 0 334.479 3.446 20 0 EGADRP C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)C1CC[NH+](C)CC1 ZINC000090044609 546652764 /nfs/dbraw/zinc/65/27/64/546652764.db2.gz NMMLRDRTTMPJGJ-CQSZACIVSA-N 2 0 330.501 3.068 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000090936633 546661386 /nfs/dbraw/zinc/66/13/86/546661386.db2.gz UXEZLBKBMJFINF-JKSUJKDBSA-N 2 0 334.504 3.202 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OC[C@H]2CCCO2)c1 ZINC000119797037 546707904 /nfs/dbraw/zinc/70/79/04/546707904.db2.gz IAIBZRHSJHXQKL-YLJYHZDGSA-N 2 0 346.515 3.373 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134388831 546828830 /nfs/dbraw/zinc/82/88/30/546828830.db2.gz OWAOXGPRBZKTLJ-BLLLJJGKSA-N 2 0 342.314 3.206 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166400646 546988298 /nfs/dbraw/zinc/98/82/98/546988298.db2.gz BHNVRNTUYVAAOD-QZTJIDSGSA-N 3 0 333.545 3.177 20 0 EGADRP CCC[NH+]1CCC(Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000191885871 547190208 /nfs/dbraw/zinc/19/02/08/547190208.db2.gz WRCDSISHYVTVES-UHFFFAOYSA-N 2 0 330.520 3.115 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000247150710 547287916 /nfs/dbraw/zinc/28/79/16/547287916.db2.gz XKDOZPCVGDVOSD-FPOVZHCZSA-N 2 0 338.499 3.330 20 0 EGADRP c1cc([C@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)n[nH]1 ZINC000286011117 547389977 /nfs/dbraw/zinc/38/99/77/547389977.db2.gz GWXZJGFGNDKVIS-RTBURBONSA-N 2 0 342.491 3.277 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000293194677 547418019 /nfs/dbraw/zinc/41/80/19/547418019.db2.gz IEZCSRUJIPLQCW-NHCUHLMSSA-N 2 0 328.500 3.422 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000326681506 547478014 /nfs/dbraw/zinc/47/80/14/547478014.db2.gz NHXHNZKCPCFVGM-UHFFFAOYSA-N 2 0 335.495 3.372 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000339236673 547571304 /nfs/dbraw/zinc/57/13/04/547571304.db2.gz HAOQWGYWMNCNLI-ROUUACIJSA-N 2 0 347.503 3.187 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)o1 ZINC000339253880 547572356 /nfs/dbraw/zinc/57/23/56/547572356.db2.gz FLYNXPRFRYCAOS-SJLPKXTDSA-N 2 0 347.503 3.106 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000349720347 547644725 /nfs/dbraw/zinc/64/47/25/547644725.db2.gz KSGMMTSNOXNKNL-INIZCTEOSA-N 2 0 326.481 3.311 20 0 EGADRP c1oc2ccccc2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352882645 547689378 /nfs/dbraw/zinc/68/93/78/547689378.db2.gz IJBPKYCVGRISGV-UHFFFAOYSA-N 2 0 328.456 3.367 20 0 EGADRP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390529159 547828338 /nfs/dbraw/zinc/82/83/38/547828338.db2.gz KTWZJOFGZDNOJK-IVAOSVALSA-N 2 0 327.516 3.161 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000398063582 547835420 /nfs/dbraw/zinc/83/54/20/547835420.db2.gz WZFADLRLDDQNLG-ZHALLVOQSA-N 2 0 346.515 3.464 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000414936000 547861883 /nfs/dbraw/zinc/86/18/83/547861883.db2.gz YYWXVIYYJPAAOT-BRWVUGGUSA-N 2 0 338.879 3.257 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474895193 547955045 /nfs/dbraw/zinc/95/50/45/547955045.db2.gz VWLWDVWIJXGOKV-GTPINHCMSA-N 2 0 349.485 3.361 20 0 EGADRP C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000674088165 548688790 /nfs/dbraw/zinc/68/87/90/548688790.db2.gz QMZZMNVMVYVTKV-SFHVURJKSA-N 2 0 339.483 3.277 20 0 EGADRP C[C@@H](c1ccncc1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000674306346 548722270 /nfs/dbraw/zinc/72/22/70/548722270.db2.gz IRTJGNWNOCECTM-SFHVURJKSA-N 2 0 344.547 3.271 20 0 EGADRP c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000675765714 548976482 /nfs/dbraw/zinc/97/64/82/548976482.db2.gz NTMWOHSXEFXCQW-LJQANCHMSA-N 2 0 340.471 3.052 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000675789731 548981871 /nfs/dbraw/zinc/98/18/71/548981871.db2.gz JWYWLJHVLGIIRQ-VQIMIIECSA-N 2 0 329.488 3.395 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000675818757 548988499 /nfs/dbraw/zinc/98/84/99/548988499.db2.gz LAOPXNGTDOIQHT-KRWDZBQOSA-N 3 0 333.520 3.010 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)CCc3ccccc3)CC2)CC1 ZINC000676709720 549132732 /nfs/dbraw/zinc/13/27/32/549132732.db2.gz XOFCGCNUCYQMRK-HXUWFJFHSA-N 2 0 343.559 3.498 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000677237975 549234757 /nfs/dbraw/zinc/23/47/57/549234757.db2.gz SPORKHUWCBIOHI-HHXXYDBFSA-N 2 0 333.907 3.383 20 0 EGADRP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCOC1 ZINC000678151897 549411937 /nfs/dbraw/zinc/41/19/37/549411937.db2.gz VMHHISQTRRIFAQ-LJQANCHMSA-N 2 0 332.488 3.020 20 0 EGADRP CC(C)[NH2+]C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678226203 549430709 /nfs/dbraw/zinc/43/07/09/549430709.db2.gz QUCKXKPQWLQTAP-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000678281982 549459233 /nfs/dbraw/zinc/45/92/33/549459233.db2.gz KOVDDQAVDJOLLQ-MOPGFXCFSA-N 2 0 334.529 3.487 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000678583782 549523966 /nfs/dbraw/zinc/52/39/66/549523966.db2.gz CQABCUVBOOBTRQ-CJNGLKHVSA-N 2 0 325.294 3.454 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000678773285 549559124 /nfs/dbraw/zinc/55/91/24/549559124.db2.gz WHCWQJVFJAWJJY-HUJKARHJSA-N 2 0 328.500 3.277 20 0 EGADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCC[C@H]1O ZINC000679360190 549696136 /nfs/dbraw/zinc/69/61/36/549696136.db2.gz HYZWOLOWDSLTII-TZIWHRDSSA-N 2 0 346.515 3.144 20 0 EGADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCC[C@@H]1O ZINC000679360185 549696147 /nfs/dbraw/zinc/69/61/47/549696147.db2.gz HYZWOLOWDSLTII-CTNGQTDRSA-N 2 0 346.515 3.144 20 0 EGADRP CC(C)c1ccc(CC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000681110531 549955729 /nfs/dbraw/zinc/95/57/29/549955729.db2.gz HDFWSEPZXPRALQ-OAQYLSRUSA-N 2 0 329.532 3.064 20 0 EGADRP Cc1csc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000681387040 549990264 /nfs/dbraw/zinc/99/02/64/549990264.db2.gz CVFLHMQVHMKMML-WMZOPIPTSA-N 2 0 329.513 3.494 20 0 EGADRP CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681490688 550004693 /nfs/dbraw/zinc/00/46/93/550004693.db2.gz AEHHMLKAYKFACX-FQEVSTJZSA-N 2 0 332.488 3.162 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)o1 ZINC000682114466 550074712 /nfs/dbraw/zinc/07/47/12/550074712.db2.gz BJDVDRCTFYCBNZ-UHFFFAOYSA-N 2 0 343.471 3.478 20 0 EGADRP C[C@@H]1C[N@H+](C(C)(C)CNc2cc[nH+]c3c(O)cccc23)C[C@H](C)O1 ZINC000682238220 550085711 /nfs/dbraw/zinc/08/57/11/550085711.db2.gz OZAOYDFOSHFANE-OKILXGFUSA-N 2 0 329.444 3.240 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc3ccccc3[nH]2)cc1 ZINC000683927825 550274262 /nfs/dbraw/zinc/27/42/62/550274262.db2.gz ZIJFVVAVMCJQPO-UHFFFAOYSA-N 2 0 337.467 3.441 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2c(Cl)ccc3cccnc32)CC1(C)C ZINC000685042946 550396321 /nfs/dbraw/zinc/39/63/21/550396321.db2.gz PEOSGVNTSUGMNJ-UHFFFAOYSA-N 2 0 346.906 3.004 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000685456482 550418312 /nfs/dbraw/zinc/41/83/12/550418312.db2.gz SDZVQXZRVPNSFH-UHFFFAOYSA-N 2 0 339.483 3.402 20 0 EGADRP C[N@H+](Cc1cc2cc(F)ccc2o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457940 550418843 /nfs/dbraw/zinc/41/88/43/550418843.db2.gz UGBKNCUQUNFQCL-SFHVURJKSA-N 2 0 345.462 3.172 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ncccc3C(F)(F)F)C2)CC1 ZINC000685463150 550420230 /nfs/dbraw/zinc/42/02/30/550420230.db2.gz SGCRAVKEVLOLRD-CQSZACIVSA-N 2 0 327.394 3.264 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC000729351956 574845562 /nfs/dbraw/zinc/84/55/62/574845562.db2.gz YJFKHXCHHFBNTQ-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@H]21 ZINC000693674440 1298150559 /nfs/dbraw/zinc/15/05/59/1298150559.db2.gz LGBWDDGZLGTAKA-NJDAHSKKSA-N 3 0 341.543 3.265 20 0 EGADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1F ZINC000057888599 1291868229 /nfs/dbraw/zinc/86/82/29/1291868229.db2.gz WHXVFHFQJBKVMP-HXUWFJFHSA-N 2 0 334.479 3.447 20 0 EGADRP Cc1cc(F)ccc1C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000076400012 1292428331 /nfs/dbraw/zinc/42/83/31/1292428331.db2.gz SGFLBXGKAKBZPO-UHFFFAOYSA-N 2 0 341.474 3.171 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000080374425 1292597794 /nfs/dbraw/zinc/59/77/94/1292597794.db2.gz PIFNUBWHCLDJME-UHFFFAOYSA-N 2 0 341.503 3.115 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000090937352 1292807620 /nfs/dbraw/zinc/80/76/20/1292807620.db2.gz IVJFYLKFSDUXNS-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000093067181 1292906114 /nfs/dbraw/zinc/90/61/14/1292906114.db2.gz NVRSTBAWOUFAHN-KRWDZBQOSA-N 2 0 326.488 3.297 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000106367138 1293049025 /nfs/dbraw/zinc/04/90/25/1293049025.db2.gz DVVVREMSEIXOKK-QGZVFWFLSA-N 2 0 337.305 3.238 20 0 EGADRP C[C@H]1CC([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](C)C1 ZINC000128693932 1293602729 /nfs/dbraw/zinc/60/27/29/1293602729.db2.gz WALPDYQPGJYFMP-HZPDHXFCSA-N 2 0 337.552 3.027 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000128740252 1293603634 /nfs/dbraw/zinc/60/36/34/1293603634.db2.gz YHELLLCWPWLREA-LJQANCHMSA-N 2 0 327.472 3.195 20 0 EGADRP CCCn1nc(C)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1C ZINC000133072245 1293735729 /nfs/dbraw/zinc/73/57/29/1293735729.db2.gz FMFOECGUHCXJSR-UHFFFAOYSA-N 2 0 344.503 3.140 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000151123780 1293909053 /nfs/dbraw/zinc/90/90/53/1293909053.db2.gz ZTBOXUDWRSNLJA-GOSISDBHSA-N 2 0 344.547 3.043 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000154563946 1294060320 /nfs/dbraw/zinc/06/03/20/1294060320.db2.gz WNSHJPFRMRSJAV-JKSUJKDBSA-N 2 0 341.540 3.390 20 0 EGADRP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000154770726 1294069298 /nfs/dbraw/zinc/06/92/98/1294069298.db2.gz RUPHBRLHBVDTPS-UHFFFAOYSA-N 2 0 330.394 3.358 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)CCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000155692976 1294110590 /nfs/dbraw/zinc/11/05/90/1294110590.db2.gz UNZBCSFQXRAVLC-HKUYNNGSSA-N 2 0 331.504 3.017 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)C2([NH+](C)C)CCC2)c2cccs2)CC1 ZINC000158565039 1294207639 /nfs/dbraw/zinc/20/76/39/1294207639.db2.gz CVHUYGWKAIUJPE-INIZCTEOSA-N 2 0 349.544 3.122 20 0 EGADRP Clc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n2cccn2)cc1 ZINC000166801547 1294364696 /nfs/dbraw/zinc/36/46/96/1294364696.db2.gz MVCFNUKFJXARPH-OTWHNJEPSA-N 2 0 344.890 3.342 20 0 EGADRP C[C@H](CN1CCCCC1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177552006 1294676909 /nfs/dbraw/zinc/67/69/09/1294676909.db2.gz RGLFHVIVOZCYHN-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000182554650 1295058585 /nfs/dbraw/zinc/05/85/85/1295058585.db2.gz TZAZHLLULQESLP-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1C[NH+]1CCCCC1 ZINC000183576946 1295131549 /nfs/dbraw/zinc/13/15/49/1295131549.db2.gz UTLGDPVQYIARRS-FUHIMQAGSA-N 2 0 344.499 3.269 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC000870878687 1296127037 /nfs/dbraw/zinc/12/70/37/1296127037.db2.gz POIQNSYZWXPQFJ-MXVIHJGJSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261547216 1296593773 /nfs/dbraw/zinc/59/37/73/1296593773.db2.gz HRTUXZSMUWXCBV-HMXCVIKNSA-N 2 0 329.532 3.409 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261929157 1296611030 /nfs/dbraw/zinc/61/10/30/1296611030.db2.gz COUPQMMNWMNGOR-UHFFFAOYSA-N 2 0 339.277 3.033 20 0 EGADRP FC(F)(F)COc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262052310 1296616631 /nfs/dbraw/zinc/61/66/31/1296616631.db2.gz QHHIKPRYMAJPBM-UHFFFAOYSA-N 2 0 328.378 3.203 20 0 EGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc(O)ccc1F ZINC000872046349 1296697244 /nfs/dbraw/zinc/69/72/44/1296697244.db2.gz GJXHNUOFRBIRTK-AWEZNQCLSA-N 2 0 329.419 3.494 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314602 1296786958 /nfs/dbraw/zinc/78/69/58/1296786958.db2.gz NNFQOWJWFMOHFH-DLBZAZTESA-N 2 0 341.540 3.344 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(F)c2)CC1 ZINC000304717425 1296937575 /nfs/dbraw/zinc/93/75/75/1296937575.db2.gz NWBTUEKHAAQLAE-UHFFFAOYSA-N 2 0 328.431 3.072 20 0 EGADRP COc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000305069429 1296965142 /nfs/dbraw/zinc/96/51/42/1296965142.db2.gz KSCIRVKTLYNRAJ-FQEVSTJZSA-N 2 0 332.488 3.115 20 0 EGADRP CCCOc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000305138444 1296985142 /nfs/dbraw/zinc/98/51/42/1296985142.db2.gz LPHURFFABSQJHN-LEWJYISDSA-N 2 0 346.515 3.333 20 0 EGADRP C[C@]1(C[NH2+]C[C@H](O)c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000310881023 1297101769 /nfs/dbraw/zinc/10/17/69/1297101769.db2.gz IEIOFCRLZMQKKG-LEWJYISDSA-N 2 0 342.458 3.361 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc2ncccc12 ZINC000873029996 1297233507 /nfs/dbraw/zinc/23/35/07/1297233507.db2.gz YJQZQFAKAOMDML-UHFFFAOYSA-N 2 0 335.451 3.465 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232986 1297375068 /nfs/dbraw/zinc/37/50/68/1297375068.db2.gz VDYPXNIIJSAPSG-SFHVURJKSA-N 2 0 325.456 3.342 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000873241326 1297381649 /nfs/dbraw/zinc/38/16/49/1297381649.db2.gz GJXIZAMGTDBFCD-KRWDZBQOSA-N 2 0 338.499 3.447 20 0 EGADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC000873243210 1297382925 /nfs/dbraw/zinc/38/29/25/1297382925.db2.gz JQWXNOHEEUAFJP-IAGOWNOFSA-N 2 0 327.476 3.030 20 0 EGADRP O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCCC2 ZINC000873277527 1297406415 /nfs/dbraw/zinc/40/64/15/1297406415.db2.gz TVISGRLLEFSBRW-NZSAHSFTSA-N 2 0 329.488 3.066 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290897 1297412663 /nfs/dbraw/zinc/41/26/63/1297412663.db2.gz BQJJBUWMZUIUNR-CEXWTWQISA-N 2 0 343.515 3.165 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cnc2ccsc2c1 ZINC000873293290 1297415656 /nfs/dbraw/zinc/41/56/56/1297415656.db2.gz YUJKQJPUAPMCHE-UKRRQHHQSA-N 2 0 331.485 3.106 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000873296603 1297416717 /nfs/dbraw/zinc/41/67/17/1297416717.db2.gz JOINBRKKCUZQRP-INDMIFKZSA-N 2 0 336.907 3.144 20 0 EGADRP C[C@H](CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000379664710 1297539221 /nfs/dbraw/zinc/53/92/21/1297539221.db2.gz QAJYWRGNYMQOBB-XLIONFOSSA-N 2 0 345.531 3.311 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000387628038 1297597506 /nfs/dbraw/zinc/59/75/06/1297597506.db2.gz DPORHZJPMAKYJA-WIYYLYMNSA-N 2 0 345.531 3.039 20 0 EGADRP c1nn2ccccc2c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397612420 1297701618 /nfs/dbraw/zinc/70/16/18/1297701618.db2.gz SAIWXOVBRHPZIB-UHFFFAOYSA-N 2 0 334.467 3.336 20 0 EGADRP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C2 ZINC000423523097 1297797396 /nfs/dbraw/zinc/79/73/96/1297797396.db2.gz VKZGJJAVJBCTHL-PKOBYXMFSA-N 2 0 326.440 3.069 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444804520 1297861539 /nfs/dbraw/zinc/86/15/39/1297861539.db2.gz PPAATNVYDOXFKK-WBVHZDCISA-N 2 0 340.471 3.189 20 0 EGADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000704046829 1298204203 /nfs/dbraw/zinc/20/42/03/1298204203.db2.gz WBDMXHYVGQIMEL-NBYUQASBSA-N 2 0 343.515 3.063 20 0 EGADRP O[C@H](CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000705878314 1298216508 /nfs/dbraw/zinc/21/65/08/1298216508.db2.gz MGBOMIQLSGKRJV-BHIFYINESA-N 2 0 336.479 3.174 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000708552618 1298242190 /nfs/dbraw/zinc/24/21/90/1298242190.db2.gz WIWTZKCGICRUDK-CRAIPNDOSA-N 2 0 328.431 3.389 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724025115 1298342484 /nfs/dbraw/zinc/34/24/84/1298342484.db2.gz DHGBDKSBHZJHDU-DLBZAZTESA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000876722164 1298940350 /nfs/dbraw/zinc/94/03/50/1298940350.db2.gz XHNLEGMVTPPYLP-UHFFFAOYSA-N 2 0 334.504 3.407 20 0 EGADRP Cc1cc(CNC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)cc(C)n1 ZINC000876927324 1299070407 /nfs/dbraw/zinc/07/04/07/1299070407.db2.gz YTNUBBXZOSYACI-HNNXBMFYSA-N 2 0 337.345 3.033 20 0 EGADRP CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000876946935 1299081782 /nfs/dbraw/zinc/08/17/82/1299081782.db2.gz SQFFARJEJUUZAI-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)C1CC[NH2+]CC1 ZINC000877450123 1299309971 /nfs/dbraw/zinc/30/99/71/1299309971.db2.gz YKQQVVOWPDLSPW-HLIPFELVSA-N 2 0 349.563 3.158 20 0 EGADRP CSC1(C[NH2+][C@H](C)CCOCc2ccccc2)CC[NH+](C)CC1 ZINC000877538881 1299380348 /nfs/dbraw/zinc/38/03/48/1299380348.db2.gz FYVLEGJHVDODGU-QGZVFWFLSA-N 2 0 336.545 3.399 20 0 EGADRP CCN(CC)c1ncc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)s1 ZINC000877684162 1299478350 /nfs/dbraw/zinc/47/83/50/1299478350.db2.gz JMVZJLMFXVKBFF-UHFFFAOYSA-N 2 0 336.549 3.297 20 0 EGADRP CCC[C@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000877745915 1299523968 /nfs/dbraw/zinc/52/39/68/1299523968.db2.gz DEUCSRVANSYWMG-HXUWFJFHSA-N 2 0 329.532 3.282 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCC4OCCCO4)C3)C2)cc1 ZINC000754659730 1300186217 /nfs/dbraw/zinc/18/62/17/1300186217.db2.gz LPBZORAFQPNZEB-NRFANRHFSA-N 2 0 344.499 3.128 20 0 EGADRP c1cc(N2CCCCC2)ccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754785345 1300215714 /nfs/dbraw/zinc/21/57/14/1300215714.db2.gz KPGKYWKLKIQFGZ-CTNGQTDRSA-N 2 0 327.516 3.436 20 0 EGADRP O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000754795793 1300217398 /nfs/dbraw/zinc/21/73/98/1300217398.db2.gz OVXOODPSCPENFS-HEHGZKQESA-N 2 0 329.271 3.243 20 0 EGADRP CC(C)=C(C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000755206773 1300299839 /nfs/dbraw/zinc/29/98/39/1300299839.db2.gz MTBIMSGDQNMNMA-RBUKOAKNSA-N 2 0 335.536 3.138 20 0 EGADRP CCCCCCNC(=O)[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760832151 1301345602 /nfs/dbraw/zinc/34/56/02/1301345602.db2.gz VSUKWXOHARYYTR-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccnc(Cl)c1 ZINC000765405095 1302261025 /nfs/dbraw/zinc/26/10/25/1302261025.db2.gz GIUUEWMOXHIIEP-RBSFLKMASA-N 2 0 325.884 3.275 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(Br)cc1F)C1CC[NH+](C)CC1 ZINC000765871823 1302344190 /nfs/dbraw/zinc/34/41/90/1302344190.db2.gz SDSIVFIGMUVZIB-LBPRGKRZSA-N 2 0 343.284 3.451 20 0 EGADRP CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000768302022 1302875391 /nfs/dbraw/zinc/87/53/91/1302875391.db2.gz GQYVWYZQFNMCQH-UHFFFAOYSA-N 2 0 345.874 3.472 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885937768 1303286799 /nfs/dbraw/zinc/28/67/99/1303286799.db2.gz JOMVPMHTEYLNFR-KSZLIROESA-N 2 0 338.536 3.061 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](O)c1c(F)cccc1F ZINC000773032068 1303611342 /nfs/dbraw/zinc/61/13/42/1303611342.db2.gz SDMNUPASAPEZSZ-IWEFOYFVSA-N 2 0 326.431 3.097 20 0 EGADRP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C[NH+](C)C ZINC000887679717 1303891082 /nfs/dbraw/zinc/89/10/82/1303891082.db2.gz GYZAIOGMWJGKNR-KRWDZBQOSA-N 2 0 346.519 3.034 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)o1 ZINC000781638669 1304851792 /nfs/dbraw/zinc/85/17/92/1304851792.db2.gz NQLIOONDKYZHSQ-FQEVSTJZSA-N 2 0 328.456 3.143 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000782188794 1304928159 /nfs/dbraw/zinc/92/81/59/1304928159.db2.gz PYRCRIARHIPBED-HOTGVXAUSA-N 2 0 341.540 3.342 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892143471 1305266532 /nfs/dbraw/zinc/26/65/32/1305266532.db2.gz IMRXTMSXUFYJRK-GOSISDBHSA-N 2 0 336.524 3.014 20 0 EGADRP C[NH+](C)CCOc1ccc(NCC2CC[NH+](C)CC2)cc1Cl ZINC000892344874 1305326154 /nfs/dbraw/zinc/32/61/54/1305326154.db2.gz BCDUQVCDMBBBPO-UHFFFAOYSA-N 2 0 325.884 3.034 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000892574813 1305449096 /nfs/dbraw/zinc/44/90/96/1305449096.db2.gz NQTGNZTYAITGRH-MSOLQXFVSA-N 2 0 334.504 3.060 20 0 EGADRP C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(O)c(F)c3)c2)CCO1 ZINC000892677207 1305501958 /nfs/dbraw/zinc/50/19/58/1305501958.db2.gz WIGZBUZXVQSRMO-OAHLLOKOSA-N 2 0 344.430 3.042 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893103175 1305708034 /nfs/dbraw/zinc/70/80/34/1305708034.db2.gz MCPIAJVKXRCUMW-WGMWDUQUSA-N 3 0 329.532 3.074 20 0 EGADRP Cc1cc(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)n(-c2ccccc2)n1 ZINC000893206623 1305761939 /nfs/dbraw/zinc/76/19/39/1305761939.db2.gz RUPLKKRHLJMARN-MRXNPFEDSA-N 2 0 326.488 3.043 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000788489412 1305954944 /nfs/dbraw/zinc/95/49/44/1305954944.db2.gz PCLMKUCGTGZYMN-GOSISDBHSA-N 2 0 345.535 3.374 20 0 EGADRP c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c2c(c1)CCCN2 ZINC000894065984 1306199750 /nfs/dbraw/zinc/19/97/50/1306199750.db2.gz YIEXUTHISDFAEL-UHFFFAOYSA-N 2 0 343.515 3.122 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894242126 1306298581 /nfs/dbraw/zinc/29/85/81/1306298581.db2.gz SOHSGTZTRHKSOQ-UHFFFAOYSA-N 2 0 343.471 3.084 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000790749511 1308860143 /nfs/dbraw/zinc/86/01/43/1308860143.db2.gz HGXFUQFSKOYQQY-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000894522525 1308936582 /nfs/dbraw/zinc/93/65/82/1308936582.db2.gz JKAJQOOMJZBMOX-SFHVURJKSA-N 2 0 339.483 3.232 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000894814106 1309084963 /nfs/dbraw/zinc/08/49/63/1309084963.db2.gz XZJLBDULGJQYQO-MRXNPFEDSA-N 2 0 338.293 3.323 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1c[nH]nc1-c1cccnc1 ZINC000895685427 1309464223 /nfs/dbraw/zinc/46/42/23/1309464223.db2.gz LUACAZBMXKPXSW-UHFFFAOYSA-N 2 0 327.476 3.170 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@H]1c1cccs1 ZINC000896642939 1309951030 /nfs/dbraw/zinc/95/10/30/1309951030.db2.gz FMYRBDNFRSIKGQ-VYDXJSESSA-N 2 0 349.544 3.120 20 0 EGADRP CN(C)Cc1cnc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)s1 ZINC000796315180 1309964070 /nfs/dbraw/zinc/96/40/70/1309964070.db2.gz GLCARBUMEAZCJU-UHFFFAOYSA-N 2 0 336.549 3.091 20 0 EGADRP CN(CCC[NH+]1CCC(CCC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000797975392 1310277798 /nfs/dbraw/zinc/27/77/98/1310277798.db2.gz LWUZIWNXAQMFFS-UHFFFAOYSA-N 2 0 341.540 3.297 20 0 EGADRP C[C@@]1(C[NH2+]Cc2cnc3ccccn23)CC[N@H+](Cc2ccccc2)C1 ZINC000798499509 1310373327 /nfs/dbraw/zinc/37/33/27/1310373327.db2.gz XQSPCRFYEUSXFL-NRFANRHFSA-N 2 0 334.467 3.336 20 0 EGADRP C[C@@]1(CNC2CC[NH+](CC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798935247 1310460580 /nfs/dbraw/zinc/46/05/80/1310460580.db2.gz MEHXUBXJPPIIOQ-QFIPXVFZSA-N 2 0 341.543 3.363 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000799173228 1310498719 /nfs/dbraw/zinc/49/87/19/1310498719.db2.gz CKSQTINIGFMFRX-KRWDZBQOSA-N 2 0 344.421 3.027 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857261709 1328525614 /nfs/dbraw/zinc/52/56/14/1328525614.db2.gz XYBAFMMXIKYLNF-XLIONFOSSA-N 2 0 345.531 3.346 20 0 EGADRP CN(C)c1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)c2ccccc21 ZINC000929328618 1328568611 /nfs/dbraw/zinc/56/86/11/1328568611.db2.gz YNRGDKLIRUDLTQ-UHFFFAOYSA-N 2 0 340.515 3.465 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001018928222 1316977035 /nfs/dbraw/zinc/97/70/35/1316977035.db2.gz QGQAAFQRRYSAGC-KRWDZBQOSA-N 2 0 347.528 3.114 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001019002297 1317000080 /nfs/dbraw/zinc/00/00/80/1317000080.db2.gz PWUFCQSEQZCEQO-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019068928 1317031825 /nfs/dbraw/zinc/03/18/25/1317031825.db2.gz UNFDCSLJHYLQES-KRWDZBQOSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019076302 1317035599 /nfs/dbraw/zinc/03/55/99/1317035599.db2.gz UVXPDDTVLBFNPS-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000899559286 1317090086 /nfs/dbraw/zinc/09/00/86/1317090086.db2.gz PRDMUCGGFPOWOR-IBGZPJMESA-N 2 0 347.547 3.260 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000957324628 1317285128 /nfs/dbraw/zinc/28/51/28/1317285128.db2.gz AYXVRTVQWYYNEI-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901291122 1317401167 /nfs/dbraw/zinc/40/11/67/1317401167.db2.gz FJRUDIBKNHCKKO-VQTJNVASSA-N 2 0 341.499 3.280 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)C1 ZINC000957559465 1317457313 /nfs/dbraw/zinc/45/73/13/1317457313.db2.gz JOBXDEFRMPAFGH-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C[C@H](C)O1 ZINC000806134290 1317463041 /nfs/dbraw/zinc/46/30/41/1317463041.db2.gz IOXHLQRXYYUOPF-IJEWVQPXSA-N 2 0 337.895 3.201 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806130916 1317463501 /nfs/dbraw/zinc/46/35/01/1317463501.db2.gz DTSSHBQOJQDJRA-QGZVFWFLSA-N 2 0 345.874 3.453 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957603708 1317491548 /nfs/dbraw/zinc/49/15/48/1317491548.db2.gz VPVABFFEWKRIHC-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957602808 1317491642 /nfs/dbraw/zinc/49/16/42/1317491642.db2.gz GDISBOYLKKHMAF-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621056 1317501559 /nfs/dbraw/zinc/50/15/59/1317501559.db2.gz VPFATGDUPHBPGT-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633341 1317508288 /nfs/dbraw/zinc/50/82/88/1317508288.db2.gz BBLGIXCBBHUNBV-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020028773 1317508514 /nfs/dbraw/zinc/50/85/14/1317508514.db2.gz JIPDDNVXYCAXOF-BRSBDYLESA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020143978 1317559387 /nfs/dbraw/zinc/55/93/87/1317559387.db2.gz MKLWGMAIOUXQDR-FHWLQOOXSA-N 2 0 347.547 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020143979 1317559738 /nfs/dbraw/zinc/55/97/38/1317559738.db2.gz MKLWGMAIOUXQDR-GUDVDZBRSA-N 2 0 347.547 3.066 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000902385935 1317571248 /nfs/dbraw/zinc/57/12/48/1317571248.db2.gz AUKHVXVABQVTAH-GOEBONIOSA-N 2 0 330.451 3.440 20 0 EGADRP C[C@@]1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000902384676 1317571768 /nfs/dbraw/zinc/57/17/68/1317571768.db2.gz UNTKLSZPKFUZNX-FPOVZHCZSA-N 2 0 329.532 3.266 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)C1 ZINC000902389381 1317571859 /nfs/dbraw/zinc/57/18/59/1317571859.db2.gz UGBKJIOOMNEUDQ-AWEZNQCLSA-N 2 0 332.879 3.394 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000902586659 1317597088 /nfs/dbraw/zinc/59/70/88/1317597088.db2.gz RQUGIRUWYHKNPM-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020238092 1317604084 /nfs/dbraw/zinc/60/40/84/1317604084.db2.gz NOPLOBDTWVLAMB-WFAGLZIHSA-N 2 0 349.563 3.027 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000957772453 1317635360 /nfs/dbraw/zinc/63/53/60/1317635360.db2.gz CGJLKFZSVXKELT-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CCC2(C)C)CC1 ZINC000808170335 1317637533 /nfs/dbraw/zinc/63/75/33/1317637533.db2.gz CYGVJRZBLVYYAP-KRWDZBQOSA-N 2 0 335.536 3.321 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000957774311 1317637943 /nfs/dbraw/zinc/63/79/43/1317637943.db2.gz PIUNVIQHPMBHPY-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(F)c1 ZINC000903056668 1317643775 /nfs/dbraw/zinc/64/37/75/1317643775.db2.gz XMSIUZAYACXQJF-QZNYNHHHSA-N 2 0 331.479 3.176 20 0 EGADRP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[NH+](C)C)cc1 ZINC000903084031 1317649378 /nfs/dbraw/zinc/64/93/78/1317649378.db2.gz TWXKBQSIKFUIJN-KRIYCRJKSA-N 2 0 327.516 3.345 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903099456 1317653268 /nfs/dbraw/zinc/65/32/68/1317653268.db2.gz IDOLQPOVZLKVMP-ONQFOCNCSA-N 2 0 349.519 3.037 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C2 ZINC000903114790 1317655727 /nfs/dbraw/zinc/65/57/27/1317655727.db2.gz HCIMNGAFWXBVLR-NUCKYSLFSA-N 2 0 348.453 3.177 20 0 EGADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903119870 1317657108 /nfs/dbraw/zinc/65/71/08/1317657108.db2.gz UKNDAXXSAXNXOR-MAWREPJSSA-N 2 0 346.515 3.216 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C2 ZINC000903118464 1317657637 /nfs/dbraw/zinc/65/76/37/1317657637.db2.gz PIADQRRRJSRXAJ-RNEPCJONSA-N 2 0 338.442 3.095 20 0 EGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Cl)c(F)c1 ZINC000903128807 1317659616 /nfs/dbraw/zinc/65/96/16/1317659616.db2.gz BNQJALORQXZVFX-SDJXIENJSA-N 2 0 338.854 3.260 20 0 EGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cc(F)cc(Cl)c1 ZINC000903158400 1317665249 /nfs/dbraw/zinc/66/52/49/1317665249.db2.gz IUJFDDKRBUXIAA-ONQFOCNCSA-N 2 0 338.854 3.260 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1OCCc2sccc21 ZINC000903174500 1317669076 /nfs/dbraw/zinc/66/90/76/1317669076.db2.gz KLRJYDHLIROOHY-DRTUSYBTSA-N 2 0 332.513 3.498 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201256 1317674119 /nfs/dbraw/zinc/67/41/19/1317674119.db2.gz HCGOGNFPCUUUFE-UWJYYQICSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000903396187 1317695358 /nfs/dbraw/zinc/69/53/58/1317695358.db2.gz KJTVVJGJPMLSDN-AVRDEDQJSA-N 2 0 338.495 3.222 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001020464109 1317708588 /nfs/dbraw/zinc/70/85/88/1317708588.db2.gz YUOUDQGPLKCWCU-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729399 1317726949 /nfs/dbraw/zinc/72/69/49/1317726949.db2.gz MEGMHWFJGTWZED-HKUYNNGSSA-N 2 0 344.499 3.381 20 0 EGADRP COc1ccc(OC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903905975 1317745897 /nfs/dbraw/zinc/74/58/97/1317745897.db2.gz QSMGCCDOFZCJMK-ALOPSCKCSA-N 2 0 330.472 3.069 20 0 EGADRP Fc1ccccc1COC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903911069 1317747494 /nfs/dbraw/zinc/74/74/94/1317747494.db2.gz WASWOBYHUHVCOG-ZNXRZULTSA-N 2 0 332.463 3.337 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2ccccc2c1 ZINC000903919156 1317748915 /nfs/dbraw/zinc/74/89/15/1317748915.db2.gz AMJQEYGQBLMEHB-QFIPXVFZSA-N 2 0 332.447 3.309 20 0 EGADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322757 1317829485 /nfs/dbraw/zinc/82/94/85/1317829485.db2.gz JGAVRFBJMGMRLV-FQEVSTJZSA-N 2 0 330.520 3.010 20 0 EGADRP CN(C[C@H]([NH3+])CCC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000904314188 1317830435 /nfs/dbraw/zinc/83/04/35/1317830435.db2.gz SUHCZEXDUKTGQZ-GOSISDBHSA-N 2 0 346.563 3.174 20 0 EGADRP CCN(Cc1ncc(CN(C)C)s1)C[C@H](O)c1ccc(C)cc1 ZINC000809581527 1317836998 /nfs/dbraw/zinc/83/69/98/1317836998.db2.gz LYZHRGYYJPCZKK-KRWDZBQOSA-N 2 0 333.501 3.069 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000904393003 1317841410 /nfs/dbraw/zinc/84/14/10/1317841410.db2.gz GKIZRCUQCVJPPV-UFYCRDLUSA-N 2 0 328.500 3.327 20 0 EGADRP C[C@H](O)c1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000809605524 1317843044 /nfs/dbraw/zinc/84/30/44/1317843044.db2.gz DHDKWJKALMECDG-KFWWJZLASA-N 2 0 325.522 3.044 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000904405360 1317843302 /nfs/dbraw/zinc/84/33/02/1317843302.db2.gz LMQRMBOVNSUYQI-GFCCVEGCSA-N 2 0 338.377 3.266 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1OCc1ccccc1 ZINC000904404694 1317843518 /nfs/dbraw/zinc/84/35/18/1317843518.db2.gz CWQRVHKDHZRLGL-KRWDZBQOSA-N 2 0 340.467 3.445 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809611459 1317843726 /nfs/dbraw/zinc/84/37/26/1317843726.db2.gz CXIHEZCSTWQCHG-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020675854 1317852095 /nfs/dbraw/zinc/85/20/95/1317852095.db2.gz HVUJCFGIVKKFKF-UFYCRDLUSA-N 2 0 347.547 3.377 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020675868 1317852144 /nfs/dbraw/zinc/85/21/44/1317852144.db2.gz IODDPIUMNCEKFW-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP [NH3+]Cc1ccccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000904482640 1317853419 /nfs/dbraw/zinc/85/34/19/1317853419.db2.gz BTSKEDIHYATKPK-UHFFFAOYSA-N 2 0 325.456 3.232 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904577228 1317865482 /nfs/dbraw/zinc/86/54/82/1317865482.db2.gz QLCBCTAIJVKVAB-DLBZAZTESA-N 2 0 326.444 3.317 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904597869 1317867937 /nfs/dbraw/zinc/86/79/37/1317867937.db2.gz UYKZTYULARHMIU-UHFFFAOYSA-N 2 0 332.492 3.220 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904653260 1317876766 /nfs/dbraw/zinc/87/67/66/1317876766.db2.gz WHKWXJIUYPZFPU-UHFFFAOYSA-N 2 0 332.492 3.025 20 0 EGADRP CCN(C)c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809739158 1317885142 /nfs/dbraw/zinc/88/51/42/1317885142.db2.gz ZHQJRZPJVPOLRC-UHFFFAOYSA-N 2 0 326.488 3.231 20 0 EGADRP CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739365 1317885834 /nfs/dbraw/zinc/88/58/34/1317885834.db2.gz IRXXBDVOSJBGFP-UHFFFAOYSA-N 2 0 335.492 3.095 20 0 EGADRP C[C@@](O)(C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(F)F ZINC000905095689 1317922895 /nfs/dbraw/zinc/92/28/95/1317922895.db2.gz KGIJZIYLAHBCSS-QGZVFWFLSA-N 2 0 346.849 3.158 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC001020818471 1317947874 /nfs/dbraw/zinc/94/78/74/1317947874.db2.gz OGOUNEVOXUOCGY-UFYCRDLUSA-N 2 0 343.515 3.106 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001020906707 1317992049 /nfs/dbraw/zinc/99/20/49/1317992049.db2.gz IQVLGDPTHVSALZ-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020907143 1317992419 /nfs/dbraw/zinc/99/24/19/1317992419.db2.gz TZDODFIZAFAIQW-UFYCRDLUSA-N 2 0 347.547 3.378 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020908666 1317993415 /nfs/dbraw/zinc/99/34/15/1317993415.db2.gz HPGKLEYUVWKHOA-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)c1 ZINC001021091202 1318078399 /nfs/dbraw/zinc/07/83/99/1318078399.db2.gz SMUKWWAPWZUUSP-MXVIHJGJSA-N 2 0 343.515 3.179 20 0 EGADRP CC1CC[NH+]([C@@H](CNc2cc[nH+]c(CO)c2)c2ccccc2)CC1 ZINC000858360602 1328744620 /nfs/dbraw/zinc/74/46/20/1328744620.db2.gz SJCXZLSYVAAOTM-FQEVSTJZSA-N 2 0 325.456 3.459 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000906927718 1318164561 /nfs/dbraw/zinc/16/45/61/1318164561.db2.gz GHAVVGLEIGSERC-VIQWUECVSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)c1cc2c[nH]ccc-2n1 ZINC001021299620 1318177249 /nfs/dbraw/zinc/17/72/49/1318177249.db2.gz PTTXCGDLOKGVMB-ALOPSCKCSA-N 2 0 338.455 3.088 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCC2)C1 ZINC001021376790 1318221283 /nfs/dbraw/zinc/22/12/83/1318221283.db2.gz DHXWUHJNBUFJNL-YQQQUEKLSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC000960043084 1318325862 /nfs/dbraw/zinc/32/58/62/1318325862.db2.gz KPEXPSAQNDBEDA-WZOJCFFYSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100766172 1364251843 /nfs/dbraw/zinc/25/18/43/1364251843.db2.gz VBGFJDLRCQOJQN-DAWZGUTISA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960098225 1318354243 /nfs/dbraw/zinc/35/42/43/1318354243.db2.gz BDODJNMEUSHOHK-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CNc2cc[nH+]c(CO)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858461379 1328768544 /nfs/dbraw/zinc/76/85/44/1328768544.db2.gz SDBCFKGMBSCOCJ-SCLBCKFNSA-N 2 0 349.837 3.471 20 0 EGADRP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909608073 1318500157 /nfs/dbraw/zinc/50/01/57/1318500157.db2.gz NMOVORTTXLOBQW-UHFFFAOYSA-N 2 0 337.533 3.070 20 0 EGADRP CC[N@@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)[C@@H](C)C1 ZINC000910281984 1318595488 /nfs/dbraw/zinc/59/54/88/1318595488.db2.gz OQSPASWFQJIKNY-HNNXBMFYSA-N 2 0 343.471 3.051 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000910289195 1318599150 /nfs/dbraw/zinc/59/91/50/1318599150.db2.gz QLAQIARODCDQCJ-SFHVURJKSA-N 2 0 345.531 3.473 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960630646 1318755536 /nfs/dbraw/zinc/75/55/36/1318755536.db2.gz XKGFUGNXQATEEX-ZWKOTPCHSA-N 2 0 349.544 3.044 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022069615 1318787306 /nfs/dbraw/zinc/78/73/06/1318787306.db2.gz MKLWGMAIOUXQDR-OTWHNJEPSA-N 2 0 347.547 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960687264 1318792931 /nfs/dbraw/zinc/79/29/31/1318792931.db2.gz ZKOFKMQANSQIJN-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1)c1ccccc1 ZINC001022082172 1318793658 /nfs/dbraw/zinc/79/36/58/1318793658.db2.gz XKHQVHLWOIQNEV-QRQLOZEOSA-N 2 0 343.515 3.249 20 0 EGADRP CCc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000960717959 1318827152 /nfs/dbraw/zinc/82/71/52/1318827152.db2.gz NCVVUJRTJUQZSL-VQTJNVASSA-N 2 0 345.531 3.012 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001022279332 1318871745 /nfs/dbraw/zinc/87/17/45/1318871745.db2.gz WHQPUYDHQBUYCI-YRPNKDGESA-N 2 0 345.531 3.131 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001022291369 1318880976 /nfs/dbraw/zinc/88/09/76/1318880976.db2.gz YKHRHIYYNQAUFJ-AFIMGQEJSA-N 2 0 349.906 3.122 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960829399 1318957001 /nfs/dbraw/zinc/95/70/01/1318957001.db2.gz MAGAVOQOQHUKBP-GOSISDBHSA-N 2 0 347.503 3.068 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)CC1 ZINC000960830095 1318958142 /nfs/dbraw/zinc/95/81/42/1318958142.db2.gz AAORYDNOJVJJNO-AFMYVXGZSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960862704 1319009160 /nfs/dbraw/zinc/00/91/60/1319009160.db2.gz KWCALLMGEVOUCJ-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022613162 1319016252 /nfs/dbraw/zinc/01/62/52/1319016252.db2.gz QSUUJNHDWHIKKY-HDICACEKSA-N 2 0 345.487 3.082 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022613088 1319016411 /nfs/dbraw/zinc/01/64/11/1319016411.db2.gz PAGGAOKDUJBENB-HDICACEKSA-N 2 0 347.503 3.162 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960903857 1319046904 /nfs/dbraw/zinc/04/69/04/1319046904.db2.gz DPBVGOATVJJHGJ-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)c1ccccc1Cl ZINC001022712668 1319079465 /nfs/dbraw/zinc/07/94/65/1319079465.db2.gz XFDWZCNGBFLXON-QXSJWSMHSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022807251 1319118999 /nfs/dbraw/zinc/11/89/99/1319118999.db2.gz GGTMVVKUVBHWHB-CEXWTWQISA-N 2 0 347.547 3.066 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC001022852910 1319137594 /nfs/dbraw/zinc/13/75/94/1319137594.db2.gz VSWYVAXMJUYMHV-BGYRXZFFSA-N 2 0 343.515 3.179 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001022886682 1319150931 /nfs/dbraw/zinc/15/09/31/1319150931.db2.gz GFDNUADNCXNCOJ-WCIQWLHISA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817578520 1319402555 /nfs/dbraw/zinc/40/25/55/1319402555.db2.gz VSKCZMLQGFQARX-CYBMUJFWSA-N 2 0 344.322 3.288 20 0 EGADRP CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961270628 1319421234 /nfs/dbraw/zinc/42/12/34/1319421234.db2.gz LOGWRIBXNDEPIG-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000915097943 1319422160 /nfs/dbraw/zinc/42/21/60/1319422160.db2.gz LZLBITAFIXTJFQ-MOPGFXCFSA-N 2 0 347.547 3.260 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000817894278 1319453336 /nfs/dbraw/zinc/45/33/36/1319453336.db2.gz CTSVHXMWXBBXRX-MJKGWSOKSA-N 2 0 330.472 3.036 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817917929 1319459283 /nfs/dbraw/zinc/45/92/83/1319459283.db2.gz VOJQARFIGOXGHK-IFIJOSMWSA-N 2 0 328.859 3.413 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817918603 1319460357 /nfs/dbraw/zinc/46/03/57/1319460357.db2.gz WRUSJEOVYRCRMK-LIRRHRJNSA-N 2 0 325.456 3.013 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817917931 1319460551 /nfs/dbraw/zinc/46/05/51/1319460551.db2.gz VOJQARFIGOXGHK-MRRJBJDNSA-N 2 0 328.859 3.413 20 0 EGADRP OC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000817922844 1319461368 /nfs/dbraw/zinc/46/13/68/1319461368.db2.gz MXQRHWBQIUKLDX-QHEDFCPTSA-N 2 0 328.500 3.327 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817926863 1319463342 /nfs/dbraw/zinc/46/33/42/1319463342.db2.gz AZONOJLTTAGIOF-QGHHPUGFSA-N 2 0 337.826 3.025 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cc(F)cc(Cl)c1 ZINC000817927893 1319463423 /nfs/dbraw/zinc/46/34/23/1319463423.db2.gz SNWXRJXUNQFVNL-MWDXBVQZSA-N 2 0 326.843 3.023 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1(Cl)Cl ZINC000817935304 1319465374 /nfs/dbraw/zinc/46/53/74/1319465374.db2.gz BSPTWWDLEHRQNW-BMFZPTHFSA-N 2 0 341.282 3.416 20 0 EGADRP COc1ccc([C@@H](C)NC[C@H]([NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817964879 1319479414 /nfs/dbraw/zinc/47/94/14/1319479414.db2.gz IICCKQCCCRWPLE-BEFAXECRSA-N 2 0 331.504 3.069 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001023377402 1319485460 /nfs/dbraw/zinc/48/54/60/1319485460.db2.gz KVIVQIHJZFXKMZ-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001023377317 1319486019 /nfs/dbraw/zinc/48/60/19/1319486019.db2.gz JRTPIGGXWYUCBC-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817984899 1319487020 /nfs/dbraw/zinc/48/70/20/1319487020.db2.gz BTSRKHGINBCPNA-RDJZCZTQSA-N 2 0 343.471 3.359 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961366543 1319521951 /nfs/dbraw/zinc/52/19/51/1319521951.db2.gz IPOUEKGSWJOHPX-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000818330584 1319527774 /nfs/dbraw/zinc/52/77/74/1319527774.db2.gz SABVLBVLRSNPKQ-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CCC3)C2)CC1)[NH+](C)C ZINC000961377408 1319534878 /nfs/dbraw/zinc/53/48/78/1319534878.db2.gz HPQRYBGOPDNNMZ-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961380168 1319538341 /nfs/dbraw/zinc/53/83/41/1319538341.db2.gz ZELJARJMKKCKTN-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818942818 1319582915 /nfs/dbraw/zinc/58/29/15/1319582915.db2.gz KTTKUMYQEQMMCL-FQEVSTJZSA-N 2 0 330.447 3.491 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000818959805 1319590384 /nfs/dbraw/zinc/59/03/84/1319590384.db2.gz TYZCQMQQPBDYQF-GOSISDBHSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000818959421 1319590696 /nfs/dbraw/zinc/59/06/96/1319590696.db2.gz JRUIRYGEZYBYLY-KBXCAEBGSA-N 2 0 326.431 3.100 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000818959308 1319590736 /nfs/dbraw/zinc/59/07/36/1319590736.db2.gz HWRLTKRJQDCZEW-RDTXWAMCSA-N 2 0 326.431 3.242 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818975093 1319600415 /nfs/dbraw/zinc/60/04/15/1319600415.db2.gz SMICYWSOQFBNBM-INIZCTEOSA-N 2 0 331.287 3.348 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000818986575 1319606473 /nfs/dbraw/zinc/60/64/73/1319606473.db2.gz PZPLAROZDHTUGF-LJQANCHMSA-N 2 0 348.487 3.422 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000819102598 1319635951 /nfs/dbraw/zinc/63/59/51/1319635951.db2.gz MQUGVTBCCMDZGY-IUODEOHRSA-N 2 0 332.410 3.305 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000819102661 1319637041 /nfs/dbraw/zinc/63/70/41/1319637041.db2.gz NRSHBGPADYXMLS-IUODEOHRSA-N 2 0 348.409 3.185 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819367021 1319711748 /nfs/dbraw/zinc/71/17/48/1319711748.db2.gz VLMSTFBXOYDYKF-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023761839 1319908712 /nfs/dbraw/zinc/90/87/12/1319908712.db2.gz KMABBJYAVPHCPT-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000820828823 1319963319 /nfs/dbraw/zinc/96/33/19/1319963319.db2.gz BYCIDACBUCQOMW-QFBILLFUSA-N 2 0 332.488 3.475 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000821982887 1320044865 /nfs/dbraw/zinc/04/48/65/1320044865.db2.gz NLUGOZDHSQYELE-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930545561 1328891854 /nfs/dbraw/zinc/89/18/54/1328891854.db2.gz NVKLPEAFJNRPMS-DLBZAZTESA-N 2 0 347.503 3.116 20 0 EGADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cc[nH+]1 ZINC000838985132 1320847179 /nfs/dbraw/zinc/84/71/79/1320847179.db2.gz SYFXIUMKZWBIIN-IXDOHACOSA-N 2 0 335.542 3.020 20 0 EGADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cc(F)cc(Cl)c1 ZINC000839062294 1320861278 /nfs/dbraw/zinc/86/12/78/1320861278.db2.gz AWZIORGSOZWMQQ-SFHVURJKSA-N 2 0 349.837 3.166 20 0 EGADRP CC(=O)OC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000839526756 1320933122 /nfs/dbraw/zinc/93/31/22/1320933122.db2.gz HEVSAEKGWYZENQ-UHFFFAOYSA-N 2 0 330.472 3.200 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000839609970 1320944377 /nfs/dbraw/zinc/94/43/77/1320944377.db2.gz XUPIHCAOEFPWHD-UHFFFAOYSA-N 2 0 344.499 3.402 20 0 EGADRP Fc1ccccc1COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000841034891 1321205070 /nfs/dbraw/zinc/20/50/70/1321205070.db2.gz DYFSORNRWSZUEF-KRWDZBQOSA-N 2 0 328.431 3.494 20 0 EGADRP Cc1cc(CNC[C@@H]([NH3+])C2CC2)cc(C)c1OCc1ccccn1 ZINC000841051030 1321209807 /nfs/dbraw/zinc/20/98/07/1321209807.db2.gz MUAPGCWIOXYDGG-LJQANCHMSA-N 2 0 325.456 3.104 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000841081439 1321215516 /nfs/dbraw/zinc/21/55/16/1321215516.db2.gz BTSYKDPROGQZOW-IYARVYRRSA-N 2 0 344.547 3.076 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000841084110 1321216212 /nfs/dbraw/zinc/21/62/12/1321216212.db2.gz GISHKJBBIFVDNV-SJORKVTESA-N 2 0 346.906 3.419 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000842471949 1321392237 /nfs/dbraw/zinc/39/22/37/1321392237.db2.gz IQGXUWQVGGBGPL-SFHVURJKSA-N 2 0 331.504 3.038 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842712207 1321422972 /nfs/dbraw/zinc/42/29/72/1321422972.db2.gz OGCDASJCBOVQHX-UHFFFAOYSA-N 2 0 346.700 3.460 20 0 EGADRP C[N@H+](Cc1cccc(OCc2ccccn2)c1)C1CCC([NH3+])CC1 ZINC000843055955 1321462778 /nfs/dbraw/zinc/46/27/78/1321462778.db2.gz SSRBGMLLOJPPHW-UHFFFAOYSA-N 2 0 325.456 3.362 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(C4CC[NH2+]CC4)n3)cc2)CC1 ZINC000843200341 1321486637 /nfs/dbraw/zinc/48/66/37/1321486637.db2.gz LPAVOFUSEOUJRO-UHFFFAOYSA-N 2 0 340.471 3.436 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCCCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000843341519 1321502162 /nfs/dbraw/zinc/50/21/62/1321502162.db2.gz GTVSZWYHXFSFHD-ZDUSSCGKSA-N 2 0 335.883 3.399 20 0 EGADRP O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000843339711 1321502272 /nfs/dbraw/zinc/50/22/72/1321502272.db2.gz GNOODGMFOSPQQW-BIRZXAFVSA-N 2 0 336.479 3.439 20 0 EGADRP Fc1cc(Br)ccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843340479 1321502287 /nfs/dbraw/zinc/50/22/87/1321502287.db2.gz MZOUYEVYAYLYJL-GZBFAFLISA-N 2 0 341.268 3.108 20 0 EGADRP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843342886 1321503009 /nfs/dbraw/zinc/50/30/09/1321503009.db2.gz RFAUGMHVIWOSSJ-ZKYQVNSYSA-N 2 0 327.241 3.066 20 0 EGADRP CC(C)C[C@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843353669 1321504884 /nfs/dbraw/zinc/50/48/84/1321504884.db2.gz IKWYIEXRTKJVAN-ACBHZAAOSA-N 2 0 331.504 3.092 20 0 EGADRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000844922935 1321658564 /nfs/dbraw/zinc/65/85/64/1321658564.db2.gz DFPRBPWUTHSKES-DLBZAZTESA-N 2 0 339.524 3.144 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845926783 1321754727 /nfs/dbraw/zinc/75/47/27/1321754727.db2.gz RGVMTHZUECHTPK-CGZBRXJRSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845943083 1321756567 /nfs/dbraw/zinc/75/65/67/1321756567.db2.gz ZFIPLWFHQKJSAI-ODZFXCKXSA-N 2 0 339.524 3.142 20 0 EGADRP COc1ccc(CCNC(=[NH2+])NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000849001019 1322057741 /nfs/dbraw/zinc/05/77/41/1322057741.db2.gz NWJLYFRMMKLAPA-UHFFFAOYSA-N 2 0 346.519 3.006 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])NC3CCCC3)c2)CC1 ZINC000848998853 1322058152 /nfs/dbraw/zinc/05/81/52/1322058152.db2.gz CTZFZXVGEOODOX-UHFFFAOYSA-N 2 0 328.504 3.475 20 0 EGADRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000849054764 1322060605 /nfs/dbraw/zinc/06/06/05/1322060605.db2.gz QYRDHMPPLGQEIW-MRXNPFEDSA-N 2 0 345.535 3.162 20 0 EGADRP CCC(CC)[C@@H](CNC(=[NH2+])NCc1ccccc1OC)[NH+]1CCCC1 ZINC000849057165 1322060922 /nfs/dbraw/zinc/06/09/22/1322060922.db2.gz BPLMSEUIJZSEHC-GOSISDBHSA-N 2 0 346.519 3.210 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C(C)(C)C)cc1 ZINC000849057492 1322061586 /nfs/dbraw/zinc/06/15/86/1322061586.db2.gz XGQAYTARIOOCMO-GOSISDBHSA-N 2 0 330.520 3.125 20 0 EGADRP Cc1ccc([C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000849066653 1322064358 /nfs/dbraw/zinc/06/43/58/1322064358.db2.gz LDXXSFVZHZZCFX-MJGOQNOKSA-N 2 0 328.504 3.388 20 0 EGADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849082483 1322071189 /nfs/dbraw/zinc/07/11/89/1322071189.db2.gz DENYCCBAGBISSY-GFCCVEGCSA-N 2 0 344.381 3.253 20 0 EGADRP CC[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000849090840 1322075333 /nfs/dbraw/zinc/07/53/33/1322075333.db2.gz LFZVHWZXOXMPKU-HNNXBMFYSA-N 2 0 342.409 3.194 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849107232 1322081303 /nfs/dbraw/zinc/08/13/03/1322081303.db2.gz CJFVPHFQLLQISG-GFCCVEGCSA-N 2 0 344.381 3.252 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850429216 1322247062 /nfs/dbraw/zinc/24/70/62/1322247062.db2.gz CEPXANKNFUIPNP-INIZCTEOSA-N 2 0 332.488 3.163 20 0 EGADRP C[C@@H]([NH2+]CC1SCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000850559634 1322267660 /nfs/dbraw/zinc/26/76/60/1322267660.db2.gz DQINWLFYSUCLBN-CYBMUJFWSA-N 2 0 326.531 3.084 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000921982037 1322434424 /nfs/dbraw/zinc/43/44/24/1322434424.db2.gz ZVRFKRXEULTWJK-GUDVDZBRSA-N 2 0 334.529 3.017 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)c1sccc1C[NH+](C)C ZINC000922328518 1322502244 /nfs/dbraw/zinc/50/22/44/1322502244.db2.gz PEMKYXJASTYNCG-UHFFFAOYSA-N 2 0 337.533 3.148 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389611 1322516094 /nfs/dbraw/zinc/51/60/94/1322516094.db2.gz UQKHCHIFLOULQQ-NCYKPQTJSA-N 2 0 330.516 3.208 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923295944 1322727696 /nfs/dbraw/zinc/72/76/96/1322727696.db2.gz LAXZPVRFIAPRFP-TZIWHRDSSA-N 2 0 342.483 3.056 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923295943 1322727982 /nfs/dbraw/zinc/72/79/82/1322727982.db2.gz LAXZPVRFIAPRFP-PZJWPPBQSA-N 2 0 342.483 3.056 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1Cl ZINC000923361260 1322740903 /nfs/dbraw/zinc/74/09/03/1322740903.db2.gz HOIVIPBARUCXCX-QWQRMKEZSA-N 2 0 340.870 3.224 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1SC(F)(F)F ZINC000923480686 1322759851 /nfs/dbraw/zinc/75/98/51/1322759851.db2.gz BIRRNBDUGISETO-NSHDSACASA-N 2 0 334.407 3.478 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486515 1322760868 /nfs/dbraw/zinc/76/08/68/1322760868.db2.gz RLGFHAQEVAKBHJ-GVDBMIGSSA-N 2 0 339.483 3.076 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000923494236 1322762045 /nfs/dbraw/zinc/76/20/45/1322762045.db2.gz WPZBXHXEFDWICR-INIZCTEOSA-N 2 0 339.439 3.088 20 0 EGADRP Cc1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000923518395 1322768493 /nfs/dbraw/zinc/76/84/93/1322768493.db2.gz DUEWVAQHDMFPIB-JKSUJKDBSA-N 2 0 342.874 3.147 20 0 EGADRP C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923532022 1322770138 /nfs/dbraw/zinc/77/01/38/1322770138.db2.gz XLNFDIOGOZFMOU-GOEBONIOSA-N 2 0 340.920 3.320 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000923887364 1322836685 /nfs/dbraw/zinc/83/66/85/1322836685.db2.gz VWDHJXVKDJULNT-INIZCTEOSA-N 2 0 344.459 3.222 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000924527566 1323043308 /nfs/dbraw/zinc/04/33/08/1323043308.db2.gz KDYUOCSDOFQUPI-DLBZAZTESA-N 2 0 329.492 3.428 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001023995489 1323067877 /nfs/dbraw/zinc/06/78/77/1323067877.db2.gz NKZPZIZRHBTJHL-SLFFLAALSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1CN1CCSCC1 ZINC000931171502 1329066229 /nfs/dbraw/zinc/06/62/29/1329066229.db2.gz IUANDABWMKRZLN-SFHVURJKSA-N 2 0 347.528 3.047 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851813588 1323097424 /nfs/dbraw/zinc/09/74/24/1323097424.db2.gz UXOXRZVUYXKBBF-YLJYHZDGSA-N 2 0 331.504 3.092 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2c(C)oc3ccccc32)CC1 ZINC000924663483 1323101153 /nfs/dbraw/zinc/10/11/53/1323101153.db2.gz VGIVBFLPODJQSX-INIZCTEOSA-N 2 0 329.488 3.419 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924670392 1323103899 /nfs/dbraw/zinc/10/38/99/1323103899.db2.gz ZPGMBWVTSFNIAL-IAGOWNOFSA-N 2 0 342.487 3.018 20 0 EGADRP CON1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000924670677 1323104977 /nfs/dbraw/zinc/10/49/77/1323104977.db2.gz LSHKNZMYXOHYDT-KRWDZBQOSA-N 2 0 331.504 3.176 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000924673832 1323105744 /nfs/dbraw/zinc/10/57/44/1323105744.db2.gz YSSAKSKTSATWIH-MBOZVWFJSA-N 2 0 343.515 3.208 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000924674814 1323106851 /nfs/dbraw/zinc/10/68/51/1323106851.db2.gz NPBBBGRKBNXDMW-YLJYHZDGSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000924674811 1323107154 /nfs/dbraw/zinc/10/71/54/1323107154.db2.gz NPBBBGRKBNXDMW-FXAWDEMLSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684131 1323111794 /nfs/dbraw/zinc/11/17/94/1323111794.db2.gz BYDRTPTXXSUCLI-MSOLQXFVSA-N 2 0 341.503 3.430 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924684664 1323112413 /nfs/dbraw/zinc/11/24/13/1323112413.db2.gz MDPWFXKSQDCNIU-KOUHRCEDSA-N 2 0 346.563 3.479 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001024136130 1323161411 /nfs/dbraw/zinc/16/14/11/1323161411.db2.gz UDAZSXWBNMCGSO-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708491 1323230175 /nfs/dbraw/zinc/23/01/75/1323230175.db2.gz CCSUYHFIFRCCMU-CXAGYDPISA-N 2 0 342.405 3.297 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1F ZINC000852870750 1323249528 /nfs/dbraw/zinc/24/95/28/1323249528.db2.gz XGVICVWUEVPAID-SFHVURJKSA-N 2 0 327.403 3.060 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278526 1323257298 /nfs/dbraw/zinc/25/72/98/1323257298.db2.gz PVIPBHMRSUAQAS-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000925052310 1323257928 /nfs/dbraw/zinc/25/79/28/1323257928.db2.gz RSVPBXXPRVVPJS-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000853092716 1323278819 /nfs/dbraw/zinc/27/88/19/1323278819.db2.gz JKPXPKWIGRKBNI-KRWDZBQOSA-N 2 0 332.488 3.224 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(CC)CC ZINC001024469714 1323425433 /nfs/dbraw/zinc/42/54/33/1323425433.db2.gz VZOPDYZDOMHSGD-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001024514421 1323465601 /nfs/dbraw/zinc/46/56/01/1323465601.db2.gz ZEXOWCCEUJNGAW-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCC(C)C)C1 ZINC001024614052 1323542135 /nfs/dbraw/zinc/54/21/35/1323542135.db2.gz FOVCXCLDZKZEOI-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620259 1323548265 /nfs/dbraw/zinc/54/82/65/1323548265.db2.gz PNZFNAWMXLNJBC-WDSOQIARSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712263 1323618933 /nfs/dbraw/zinc/61/89/33/1323618933.db2.gz RXCVJKVRLFHXLI-HXUWFJFHSA-N 2 0 343.515 3.299 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024813705 1323715430 /nfs/dbraw/zinc/71/54/30/1323715430.db2.gz FCGMCEPYNFIKRC-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024959034 1323800911 /nfs/dbraw/zinc/80/09/11/1323800911.db2.gz JLZDHJIGPDDHKC-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)C2([NH+](C)C)CCC2)cs1 ZINC001024982597 1323811939 /nfs/dbraw/zinc/81/19/39/1323811939.db2.gz VILIILOLMXWDHF-QGZVFWFLSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025168429 1323936780 /nfs/dbraw/zinc/93/67/80/1323936780.db2.gz DLPMVQVSARGAOA-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025168404 1323937175 /nfs/dbraw/zinc/93/71/75/1323937175.db2.gz BZXAJFGOVQIXOY-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]C(C)C)o1 ZINC001025172557 1323942954 /nfs/dbraw/zinc/94/29/54/1323942954.db2.gz PVUBHNGWJBILAE-MRXNPFEDSA-N 2 0 335.492 3.114 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247423 1324047598 /nfs/dbraw/zinc/04/75/98/1324047598.db2.gz KUMQADQOASHNEK-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461288 1324306676 /nfs/dbraw/zinc/30/66/76/1324306676.db2.gz RWCJXJVEUXOWIN-DOTOQJQBSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025529078 1324375987 /nfs/dbraw/zinc/37/59/87/1324375987.db2.gz YLGXKKUJVQPQMF-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025584528 1324426450 /nfs/dbraw/zinc/42/64/50/1324426450.db2.gz IRXDGAJPTSIQBG-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001026464918 1324825399 /nfs/dbraw/zinc/82/53/99/1324825399.db2.gz AWMSRIHITUJADT-SOAGJPPSSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026492376 1324845608 /nfs/dbraw/zinc/84/56/08/1324845608.db2.gz KFSJGXBDGZGSCI-MHJFOBGBSA-N 2 0 349.563 3.457 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026503192 1324853136 /nfs/dbraw/zinc/85/31/36/1324853136.db2.gz NGOOILFEEXBMSQ-MHJFOBGBSA-N 2 0 347.547 3.378 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001026561139 1324896356 /nfs/dbraw/zinc/89/63/56/1324896356.db2.gz PMGVVXJWBVZVNE-QHGAOEGBSA-N 2 0 347.547 3.236 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CCC([NH2+]CC(C)C)CC2)o1 ZINC001026612109 1324933846 /nfs/dbraw/zinc/93/38/46/1324933846.db2.gz UWDMITBMGOYFNO-UHFFFAOYSA-N 2 0 349.519 3.408 20 0 EGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1Cl ZINC000853131658 1325053594 /nfs/dbraw/zinc/05/35/94/1325053594.db2.gz KVENHRKIJMPBJN-SFHVURJKSA-N 2 0 340.870 3.224 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026897911 1325067372 /nfs/dbraw/zinc/06/73/72/1325067372.db2.gz WQGXAUMUZMNXQF-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000925154620 1325068003 /nfs/dbraw/zinc/06/80/03/1325068003.db2.gz FZOOHSNEVZOHFZ-FOIQADDNSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1)C(C)C ZINC000925196592 1325078571 /nfs/dbraw/zinc/07/85/71/1325078571.db2.gz OBCFOBCOZWYXSJ-KRWDZBQOSA-N 2 0 329.492 3.427 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026920643 1325084452 /nfs/dbraw/zinc/08/44/52/1325084452.db2.gz GBQZATRUOJVAMT-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CCS[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000925219977 1325085041 /nfs/dbraw/zinc/08/50/41/1325085041.db2.gz YFDWMQZNEGCQBE-XWDNEUNKSA-N 2 0 326.550 3.282 20 0 EGADRP CC[C@H]1COC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000925220677 1325085896 /nfs/dbraw/zinc/08/58/96/1325085896.db2.gz CMSKPZYYSJOTDT-FPOVZHCZSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(-n2cnnc2)c1 ZINC000925305184 1325118374 /nfs/dbraw/zinc/11/83/74/1325118374.db2.gz ALQQGDWUMCFBAW-OAHLLOKOSA-N 2 0 327.476 3.181 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC000963343969 1325135089 /nfs/dbraw/zinc/13/50/89/1325135089.db2.gz FMBRFYSIQSEKMI-JYPHPWERSA-N 2 0 349.563 3.122 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1F ZINC000925485393 1325171286 /nfs/dbraw/zinc/17/12/86/1325171286.db2.gz MONCMJIFPWTINF-RDTXWAMCSA-N 2 0 335.442 3.055 20 0 EGADRP CN(C)C(=O)c1cccc(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925519605 1325188104 /nfs/dbraw/zinc/18/81/04/1325188104.db2.gz UZZIZOYQWRXYFT-FQEVSTJZSA-N 2 0 339.483 3.001 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925522058 1325188117 /nfs/dbraw/zinc/18/81/17/1325188117.db2.gz QMQDWLVOGFMHHD-WOJBJXKFSA-N 2 0 327.516 3.163 20 0 EGADRP CN(CC[NH2+][C@H](CCC[NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000925529599 1325192711 /nfs/dbraw/zinc/19/27/11/1325192711.db2.gz FUIPDDHVLXYEEB-HXUWFJFHSA-N 2 0 329.463 3.327 20 0 EGADRP Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925553739 1325206243 /nfs/dbraw/zinc/20/62/43/1325206243.db2.gz VGBNWGMLORRTOB-LZLYRXPVSA-N 2 0 348.922 3.072 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCCN(Cc3c(F)cccc3F)C1)[NH2+]2 ZINC000925565870 1325213077 /nfs/dbraw/zinc/21/30/77/1325213077.db2.gz ASHWQBROJFOPPF-GWMHBNKLSA-N 2 0 349.469 3.048 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000925577457 1325218466 /nfs/dbraw/zinc/21/84/66/1325218466.db2.gz OVLHXGQKBVCNTH-ZWKOTPCHSA-N 2 0 326.550 3.141 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CCC([NH2+]CC3CCC3)CC2)C1 ZINC000963419083 1325228290 /nfs/dbraw/zinc/22/82/90/1325228290.db2.gz CDLIPVKDRXXCAD-HDYDNRTBSA-N 2 0 349.563 3.124 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000925732278 1325274075 /nfs/dbraw/zinc/27/40/75/1325274075.db2.gz XOMPZBBUYBQKCT-IEBWSBKVSA-N 2 0 332.875 3.486 20 0 EGADRP CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000963833623 1325405579 /nfs/dbraw/zinc/40/55/79/1325405579.db2.gz YGQVLTUIMQVVLR-TVPLGVNVSA-N 2 0 335.536 3.163 20 0 EGADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000964184742 1325485702 /nfs/dbraw/zinc/48/57/02/1325485702.db2.gz ICVGYOVEYACCIR-HDYDNRTBSA-N 2 0 349.563 3.268 20 0 EGADRP FC(F)COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926255464 1325492543 /nfs/dbraw/zinc/49/25/43/1325492543.db2.gz RKFUUYMTUNZMEA-AYHJJNSGSA-N 2 0 338.442 3.443 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000926311454 1325511863 /nfs/dbraw/zinc/51/18/63/1325511863.db2.gz YKHWDHAHJUBDRK-UTKZUKDTSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)NC(=O)OC(C)(C)C ZINC000926328372 1325517830 /nfs/dbraw/zinc/51/78/30/1325517830.db2.gz JEBHVFLEPIPPSI-GJZGRUSLSA-N 2 0 335.492 3.312 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857143999 1325580222 /nfs/dbraw/zinc/58/02/22/1325580222.db2.gz CVAXVNPHOZHAOX-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926553729 1327614000 /nfs/dbraw/zinc/61/40/00/1327614000.db2.gz AILDOCMKRLPPRJ-ZYSHUDEJSA-N 2 0 342.487 3.053 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440562 1327678035 /nfs/dbraw/zinc/67/80/35/1327678035.db2.gz IOMVGJNQKUBRSZ-MJGOQNOKSA-N 2 0 343.515 3.155 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449412 1327691162 /nfs/dbraw/zinc/69/11/62/1327691162.db2.gz ZYVQMNVZACDCLF-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)ccc2C)C1)[NH+](C)C ZINC001027459996 1327703234 /nfs/dbraw/zinc/70/32/34/1327703234.db2.gz FKGNJCIROCVDQH-VQTJNVASSA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027473640 1327730857 /nfs/dbraw/zinc/73/08/57/1327730857.db2.gz PQRLEJLGBIADPK-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)c1 ZINC001027581968 1327916556 /nfs/dbraw/zinc/91/65/56/1327916556.db2.gz JGAIMPVVKMUFKN-UXHICEINSA-N 2 0 345.531 3.012 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681232 1328078876 /nfs/dbraw/zinc/07/88/76/1328078876.db2.gz RZIKYYAYOFXRGL-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001027682557 1328081166 /nfs/dbraw/zinc/08/11/66/1328081166.db2.gz RDZGIAGVLQZMMQ-ICSRJNTNSA-N 2 0 343.515 3.075 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027879697 1328346426 /nfs/dbraw/zinc/34/64/26/1328346426.db2.gz WTKXPAFJXKPOJN-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027879136 1328346466 /nfs/dbraw/zinc/34/64/66/1328346466.db2.gz NOIWETQPLHGXRL-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001027893017 1328359299 /nfs/dbraw/zinc/35/92/99/1328359299.db2.gz KCDIOFZFBDYPTP-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001027971669 1328444413 /nfs/dbraw/zinc/44/44/13/1328444413.db2.gz JUUKBUMYYXXHHW-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028046088 1328512027 /nfs/dbraw/zinc/51/20/27/1328512027.db2.gz YJRILRWOVTUZCI-HKUYNNGSSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)(C)Oc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000865457838 1329699883 /nfs/dbraw/zinc/69/98/83/1329699883.db2.gz UGUKVHWSWSOEMD-SFHVURJKSA-N 2 0 334.504 3.190 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932043722 1329781881 /nfs/dbraw/zinc/78/18/81/1329781881.db2.gz QZXDJTMFAVOXLH-LJQANCHMSA-N 2 0 344.499 3.305 20 0 EGADRP Fc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866269017 1330088213 /nfs/dbraw/zinc/08/82/13/1330088213.db2.gz DKOJIFXTKAXRLQ-MGPUTAFESA-N 2 0 332.463 3.294 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000866469425 1330116461 /nfs/dbraw/zinc/11/64/61/1330116461.db2.gz ICMKAPDLNPLSOG-RXVVDRJESA-N 3 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866636848 1330136307 /nfs/dbraw/zinc/13/63/07/1330136307.db2.gz QIXAKJCVALFXNZ-JXFKEZNVSA-N 2 0 334.504 3.219 20 0 EGADRP COc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)co1 ZINC000866666267 1330139596 /nfs/dbraw/zinc/13/95/96/1330139596.db2.gz OYTGVLKKMGOACU-MRXNPFEDSA-N 2 0 341.455 3.172 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000939137775 1330383840 /nfs/dbraw/zinc/38/38/40/1330383840.db2.gz NEHDGGDYIBZLKW-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102347 1331831336 /nfs/dbraw/zinc/83/13/36/1331831336.db2.gz XQJMYHOYLHFTGQ-HOCLYGCPSA-N 2 0 337.533 3.050 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558658 1331974001 /nfs/dbraw/zinc/97/40/01/1331974001.db2.gz ZMKGPKUAOXVCNR-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000943875008 1332286715 /nfs/dbraw/zinc/28/67/15/1332286715.db2.gz AJIYNJOPNKYNMA-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946615557 1332863373 /nfs/dbraw/zinc/86/33/73/1332863373.db2.gz NYEIHQUCBIVDCN-VNTMZGSJSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C(C)C)C[C@H]2CC1 ZINC000946856919 1332917063 /nfs/dbraw/zinc/91/70/63/1332917063.db2.gz UIJYPSVZIWUFAI-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC000947309599 1333084023 /nfs/dbraw/zinc/08/40/23/1333084023.db2.gz GJYQXMWODTVOQG-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310176 1333084499 /nfs/dbraw/zinc/08/44/99/1333084499.db2.gz MSGISMJWUFZVIG-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947309863 1333084644 /nfs/dbraw/zinc/08/46/44/1333084644.db2.gz IIXCNSLYPUFVRT-MSOLQXFVSA-N 2 0 335.536 3.186 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947474564 1333142353 /nfs/dbraw/zinc/14/23/53/1333142353.db2.gz VWOAYEUZLKWJTN-WBVHZDCISA-N 2 0 342.487 3.272 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947474330 1333142521 /nfs/dbraw/zinc/14/25/21/1333142521.db2.gz RFIFEWXSJMEFTB-RHSMWYFYSA-N 2 0 340.471 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947493398 1333146181 /nfs/dbraw/zinc/14/61/81/1333146181.db2.gz RRLXWGCAAOLEEP-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1CCCCC1 ZINC000947725699 1333241434 /nfs/dbraw/zinc/24/14/34/1333241434.db2.gz BXBDVIDCZNEQMJ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCC1 ZINC000947774786 1333257535 /nfs/dbraw/zinc/25/75/35/1333257535.db2.gz GKCNWSCTBPVYPM-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCC1 ZINC000947774787 1333257827 /nfs/dbraw/zinc/25/78/27/1333257827.db2.gz GKCNWSCTBPVYPM-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCC1 ZINC000947776644 1333258764 /nfs/dbraw/zinc/25/87/64/1333258764.db2.gz XSYGYETYOMVHJN-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C/C=C\Cl ZINC000947799626 1333265071 /nfs/dbraw/zinc/26/50/71/1333265071.db2.gz CAZMCHZKWKLUEW-XNFDCWPSSA-N 2 0 349.906 3.083 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC1CCCCCC1 ZINC000947933966 1333311431 /nfs/dbraw/zinc/31/14/31/1333311431.db2.gz ILXJKXNNJRDQNQ-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948374971 1333501068 /nfs/dbraw/zinc/50/10/68/1333501068.db2.gz ZRRVXPMVXHKNCJ-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434974 1333523754 /nfs/dbraw/zinc/52/37/54/1333523754.db2.gz HCRITCONWJENOD-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439763 1333526378 /nfs/dbraw/zinc/52/63/78/1333526378.db2.gz VDYZSDFPIOJJMU-MJGOQNOKSA-N 2 0 335.536 3.116 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948554222 1333573241 /nfs/dbraw/zinc/57/32/41/1333573241.db2.gz SFLIIUWKLVGXIF-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620845 1333599798 /nfs/dbraw/zinc/59/97/98/1333599798.db2.gz JLWCLSCQTUITPX-FUHWJXTLSA-N 2 0 342.487 3.307 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673647 1333623233 /nfs/dbraw/zinc/62/32/33/1333623233.db2.gz FFKNZSXUJKQFKQ-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726484 1333649046 /nfs/dbraw/zinc/64/90/46/1333649046.db2.gz SCNBJWDIZYLXGP-SFHVURJKSA-N 2 0 347.503 3.234 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000948769696 1333670468 /nfs/dbraw/zinc/67/04/68/1333670468.db2.gz CPHGDUBGRONTDE-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000948829628 1333701611 /nfs/dbraw/zinc/70/16/11/1333701611.db2.gz SANNBRMJYZSQMD-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948854209 1333710294 /nfs/dbraw/zinc/71/02/94/1333710294.db2.gz JTOXDAJMURGFIP-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000949043374 1333769899 /nfs/dbraw/zinc/76/98/99/1333769899.db2.gz SCJIEWMKIBNJGJ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950470233 1334076804 /nfs/dbraw/zinc/07/68/04/1334076804.db2.gz XWSITQZODOXTAP-QLOJAFMTSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC000950704802 1334118858 /nfs/dbraw/zinc/11/88/58/1334118858.db2.gz BZCGSRUUENILFE-SFHVURJKSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC000950707901 1334119393 /nfs/dbraw/zinc/11/93/93/1334119393.db2.gz CJZOQYGHCLYEFA-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC000951608721 1334278281 /nfs/dbraw/zinc/27/82/81/1334278281.db2.gz KBAGCBAQCKXSPX-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000967265121 1335681628 /nfs/dbraw/zinc/68/16/28/1335681628.db2.gz SINBFNRFWAEWMP-CRAIPNDOSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672960 1336005138 /nfs/dbraw/zinc/00/51/38/1336005138.db2.gz HQDCOLFJDGMLBF-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)Cn1ccnc1 ZINC000968702859 1336017746 /nfs/dbraw/zinc/01/77/46/1336017746.db2.gz POVCCKATEXDVNN-MJGOQNOKSA-N 2 0 346.519 3.070 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968849631 1336066673 /nfs/dbraw/zinc/06/66/73/1336066673.db2.gz BYCZRNRIOUYDOL-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936534 1336095563 /nfs/dbraw/zinc/09/55/63/1336095563.db2.gz KMNIVGUMJQCUFZ-QGZVFWFLSA-N 2 0 328.460 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC=C(C)C)C1 ZINC000968991131 1336112374 /nfs/dbraw/zinc/11/23/74/1336112374.db2.gz WAURNUSADDMREX-UXHICEINSA-N 2 0 349.563 3.435 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000969152423 1336163688 /nfs/dbraw/zinc/16/36/88/1336163688.db2.gz SDXJICBJLPMELN-GOSISDBHSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969648091 1336233370 /nfs/dbraw/zinc/23/33/70/1336233370.db2.gz IUYJOVFVGDBANY-PXNSSMCTSA-N 2 0 347.547 3.186 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000969675148 1336236052 /nfs/dbraw/zinc/23/60/52/1336236052.db2.gz POZYKSXBHFMEKN-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC000969985976 1336269323 /nfs/dbraw/zinc/26/93/23/1336269323.db2.gz PNXJLGODPWQRLT-AHRSYUTCSA-N 2 0 345.531 3.402 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000970792839 1336337898 /nfs/dbraw/zinc/33/78/98/1336337898.db2.gz ZBBRQICZKQTGSB-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970792681 1336338020 /nfs/dbraw/zinc/33/80/20/1336338020.db2.gz RLTXDLCHVJHJIQ-RTBURBONSA-N 2 0 343.515 3.123 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001005477944 1336358389 /nfs/dbraw/zinc/35/83/89/1336358389.db2.gz ZUDRAHJRWKWBTQ-UHFFFAOYSA-N 2 0 337.533 3.146 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001006120383 1336454813 /nfs/dbraw/zinc/45/48/13/1336454813.db2.gz QNHFUMZDFWRLTQ-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001006232955 1336473111 /nfs/dbraw/zinc/47/31/11/1336473111.db2.gz QWEADZRAMQSYPE-UHFFFAOYSA-N 2 0 337.552 3.076 20 0 EGADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001006296510 1336485483 /nfs/dbraw/zinc/48/54/83/1336485483.db2.gz ZHQBMKXUCLAACO-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001006398547 1336499228 /nfs/dbraw/zinc/49/92/28/1336499228.db2.gz DSQCXZIVRRWFKP-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001006923969 1336607797 /nfs/dbraw/zinc/60/77/97/1336607797.db2.gz GRZNCMUBTWLJMO-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007458161 1336650919 /nfs/dbraw/zinc/65/09/19/1336650919.db2.gz VLPXXXXTEAUBTB-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001007946942 1336737556 /nfs/dbraw/zinc/73/75/56/1336737556.db2.gz FUDKXDZXHXYZCJ-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCCC2CCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007954342 1336738406 /nfs/dbraw/zinc/73/84/06/1336738406.db2.gz UFNHAHFRGWXGJG-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001008534231 1336877060 /nfs/dbraw/zinc/87/70/60/1336877060.db2.gz WFDCQYDGZAMZKV-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001008744317 1336918494 /nfs/dbraw/zinc/91/84/94/1336918494.db2.gz AVAUVLWFGNZVLF-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001008772868 1336923575 /nfs/dbraw/zinc/92/35/75/1336923575.db2.gz WSDWRXSYELTTTK-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014964733 1337970267 /nfs/dbraw/zinc/97/02/67/1337970267.db2.gz RHHGUFNLNXOPSO-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015056693 1338004451 /nfs/dbraw/zinc/00/44/51/1338004451.db2.gz IEVHGZHJHQENNO-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2=CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015116007 1338023298 /nfs/dbraw/zinc/02/32/98/1338023298.db2.gz YYAPVMUZSIOAEG-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001015499184 1338160712 /nfs/dbraw/zinc/16/07/12/1338160712.db2.gz OOZXJBQVVCYEOW-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001015597185 1338201085 /nfs/dbraw/zinc/20/10/85/1338201085.db2.gz NVMASJBCRMLTBA-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603735 1338204540 /nfs/dbraw/zinc/20/45/40/1338204540.db2.gz XIPQMYLQRKMPDL-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795742 1338315108 /nfs/dbraw/zinc/31/51/08/1338315108.db2.gz RRKXERRWSIYAJB-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015797116 1338315292 /nfs/dbraw/zinc/31/52/92/1338315292.db2.gz XWOJFGPTOYBLLT-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001015971352 1338383717 /nfs/dbraw/zinc/38/37/17/1338383717.db2.gz AFICCRPQVWLRCY-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)(C)C1CCC(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001016260800 1338526074 /nfs/dbraw/zinc/52/60/74/1338526074.db2.gz HQBPEBFOYWHFQQ-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016923834 1338771584 /nfs/dbraw/zinc/77/15/84/1338771584.db2.gz NHUFCHDEWZXELW-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1)CC1CCCCCC1 ZINC001017070471 1338847285 /nfs/dbraw/zinc/84/72/85/1338847285.db2.gz FYGGTIXYHLKSEI-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017129109 1338884671 /nfs/dbraw/zinc/88/46/71/1338884671.db2.gz XVQMKPOVMWYCMY-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017159648 1338908258 /nfs/dbraw/zinc/90/82/58/1338908258.db2.gz CDVYZSLDBXXVIL-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH+](C)CC3CCCCC3)C2)C1 ZINC001017209565 1338955769 /nfs/dbraw/zinc/95/57/69/1338955769.db2.gz QJAWYTHMIQINAN-QUCCMNQESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051359 1339490672 /nfs/dbraw/zinc/49/06/72/1339490672.db2.gz GAIQFBNDGNIUGS-INDMIFKZSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018313839 1339572768 /nfs/dbraw/zinc/57/27/68/1339572768.db2.gz OJNLRROPONFRET-YSTOQKLRSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018314390 1339573343 /nfs/dbraw/zinc/57/33/43/1339573343.db2.gz TZCPZYRGULDCFX-HSALFYBXSA-N 2 0 347.547 3.138 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001028088788 1340417873 /nfs/dbraw/zinc/41/78/73/1340417873.db2.gz PSLMCCTXQJFKPP-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028092675 1340421520 /nfs/dbraw/zinc/42/15/20/1340421520.db2.gz BMXVGOISHBWQCN-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093303 1340421714 /nfs/dbraw/zinc/42/17/14/1340421714.db2.gz JTUYOMBFGSVUMH-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028114550 1340436386 /nfs/dbraw/zinc/43/63/86/1340436386.db2.gz IRTLEJYPIOIUJL-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)C ZINC001028254622 1340515468 /nfs/dbraw/zinc/51/54/68/1340515468.db2.gz YOWCEGKTCNQWBM-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001028335170 1340571981 /nfs/dbraw/zinc/57/19/81/1340571981.db2.gz OZWGJVWHESSEOR-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343011 1340582574 /nfs/dbraw/zinc/58/25/74/1340582574.db2.gz KBVBKXCTTVDEKV-IAGOWNOFSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028647697 1340742266 /nfs/dbraw/zinc/74/22/66/1340742266.db2.gz MBXXZAWKUGPVDJ-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028755638 1340791808 /nfs/dbraw/zinc/79/18/08/1340791808.db2.gz RDGJESNXGSELHW-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028845813 1340857570 /nfs/dbraw/zinc/85/75/70/1340857570.db2.gz QONOVXWFIBZQHN-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001028902254 1340879504 /nfs/dbraw/zinc/87/95/04/1340879504.db2.gz RWUNMBKKWQCFPX-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001029003224 1340905446 /nfs/dbraw/zinc/90/54/46/1340905446.db2.gz JFHURPIZKYSXHN-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001029109230 1340931944 /nfs/dbraw/zinc/93/19/44/1340931944.db2.gz BYADVKWLGXXZOI-PXNSSMCTSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001029111143 1340932024 /nfs/dbraw/zinc/93/20/24/1340932024.db2.gz BTRKSWSJLNDICH-YLJYHZDGSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001029139287 1340940460 /nfs/dbraw/zinc/94/04/60/1340940460.db2.gz BYADVKWLGXXZOI-YLJYHZDGSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001029356258 1340976581 /nfs/dbraw/zinc/97/65/81/1340976581.db2.gz HQWVQSQKJJGPTE-RSPOEFSDSA-N 2 0 343.515 3.071 20 0 EGADRP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+]1CCCC1 ZINC001029419118 1340986167 /nfs/dbraw/zinc/98/61/67/1340986167.db2.gz HBGPWGIBSFJOOA-KDURUIRLSA-N 2 0 345.531 3.036 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001029478508 1340998449 /nfs/dbraw/zinc/99/84/49/1340998449.db2.gz PPVVXTOYWFJOCW-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001029737545 1341059018 /nfs/dbraw/zinc/05/90/18/1341059018.db2.gz LRDNDMJZGMSMLD-JLAWEPINSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC001029755643 1341064185 /nfs/dbraw/zinc/06/41/85/1341064185.db2.gz RAEIHUXIJONMTK-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029910687 1341113794 /nfs/dbraw/zinc/11/37/94/1341113794.db2.gz VWMBIGIXIXTBCQ-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030020543 1341159809 /nfs/dbraw/zinc/15/98/09/1341159809.db2.gz JZMCEPFJSGOVBL-BJLQDIEVSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001030021647 1341160072 /nfs/dbraw/zinc/16/00/72/1341160072.db2.gz NOSWXCMPJSMNQT-OTWHNJEPSA-N 2 0 349.494 3.198 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730618 1341394524 /nfs/dbraw/zinc/39/45/24/1341394524.db2.gz SNXRODNJNUUNQU-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001031917007 1341421641 /nfs/dbraw/zinc/42/16/41/1341421641.db2.gz LIWGBHOBUIYERN-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001032611217 1341559028 /nfs/dbraw/zinc/55/90/28/1341559028.db2.gz FILOKZSONIXUIM-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1=CCCCC1 ZINC001032663740 1341575885 /nfs/dbraw/zinc/57/58/85/1341575885.db2.gz AABJOTLKQOAHQM-UFYCRDLUSA-N 2 0 345.531 3.035 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083313 1341718735 /nfs/dbraw/zinc/71/87/35/1341718735.db2.gz ZPVWONIXQDXLPU-AZUAARDMSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033145903 1341739845 /nfs/dbraw/zinc/73/98/45/1341739845.db2.gz LOOZRLFYELDMJC-ZWKOTPCHSA-N 2 0 349.544 3.044 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033231055 1341755488 /nfs/dbraw/zinc/75/54/88/1341755488.db2.gz ZVIUWWODQYNZSR-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319310 1341779889 /nfs/dbraw/zinc/77/98/89/1341779889.db2.gz PFIFWZUHAUZAAR-PKOBYXMFSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001033466277 1341837090 /nfs/dbraw/zinc/83/70/90/1341837090.db2.gz CVHNESUQDLBTEO-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033826528 1342028383 /nfs/dbraw/zinc/02/83/83/1342028383.db2.gz QRHDPOCDIUQYBM-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033834335 1342033881 /nfs/dbraw/zinc/03/38/81/1342033881.db2.gz OOMNBAQTKKCLFR-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033887806 1342060862 /nfs/dbraw/zinc/06/08/62/1342060862.db2.gz PDXLSRMSNVGUEO-SFHVURJKSA-N 2 0 342.487 3.307 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033932346 1342096934 /nfs/dbraw/zinc/09/69/34/1342096934.db2.gz LRGPKCFOJFZEAI-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034136921 1342264029 /nfs/dbraw/zinc/26/40/29/1342264029.db2.gz MJIZREWWNZOJSP-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211051 1342321038 /nfs/dbraw/zinc/32/10/38/1342321038.db2.gz LEURAWQOVFDIHX-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001034211035 1342321257 /nfs/dbraw/zinc/32/12/57/1342321257.db2.gz KRBBRFAFGPYDCX-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034239220 1342340190 /nfs/dbraw/zinc/34/01/90/1342340190.db2.gz JFFURCRCTPIRJE-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034239056 1342340208 /nfs/dbraw/zinc/34/02/08/1342340208.db2.gz HMRAVIIHVFWAGP-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034281765 1342371851 /nfs/dbraw/zinc/37/18/51/1342371851.db2.gz FSVKIBUVSNBRIU-QGZVFWFLSA-N 2 0 340.471 3.193 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001034289998 1342376532 /nfs/dbraw/zinc/37/65/32/1342376532.db2.gz CXOLNBSHWCSDCX-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034393674 1342462484 /nfs/dbraw/zinc/46/24/84/1342462484.db2.gz GWHNKOWUKBCZJM-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCC3)C2)C1 ZINC001034396433 1342464729 /nfs/dbraw/zinc/46/47/29/1342464729.db2.gz FQGGFJYPBKBJFA-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001034430413 1342492815 /nfs/dbraw/zinc/49/28/15/1342492815.db2.gz DXRAIUMAORNQMT-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](C/C=C\Cl)C2)cc1 ZINC001034444728 1342505234 /nfs/dbraw/zinc/50/52/34/1342505234.db2.gz KNEKAOQDENXIIU-RKMNRJFLSA-N 2 0 349.906 3.085 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034613035 1342648467 /nfs/dbraw/zinc/64/84/67/1342648467.db2.gz XDKLPDJONSMQTD-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034673496 1342684922 /nfs/dbraw/zinc/68/49/22/1342684922.db2.gz BPBMTEAGMWGBOT-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034795850 1342762222 /nfs/dbraw/zinc/76/22/22/1342762222.db2.gz VJIAFWYAKLZOEA-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034796007 1342762309 /nfs/dbraw/zinc/76/23/09/1342762309.db2.gz BDUGMZXXKMGAHJ-BMOGMMAESA-N 2 0 349.563 3.457 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209612066 1372151140 /nfs/dbraw/zinc/15/11/40/1372151140.db2.gz BDFPHKCBPIGWNL-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC001035013050 1342874845 /nfs/dbraw/zinc/87/48/45/1342874845.db2.gz AMZOMVSDMCFNBG-ZTFGCOKTSA-N 2 0 349.906 3.076 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035132784 1342948394 /nfs/dbraw/zinc/94/83/94/1342948394.db2.gz DMCHWQAIECNUEZ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001035132984 1342948532 /nfs/dbraw/zinc/94/85/32/1342948532.db2.gz HRPTULZCZSXMPT-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035718301 1343150597 /nfs/dbraw/zinc/15/05/97/1343150597.db2.gz BRXUFINPYQAPJI-UHFFFAOYSA-N 2 0 349.544 3.148 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1)[NH+](C)C ZINC001035727752 1343155358 /nfs/dbraw/zinc/15/53/58/1343155358.db2.gz XZJDZVRZZISWLU-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(C[NH+](CCC(C)C)C3)CC2)C1 ZINC001035772612 1343184421 /nfs/dbraw/zinc/18/44/21/1343184421.db2.gz HCZZBBVMLLKRCH-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001036181454 1343350378 /nfs/dbraw/zinc/35/03/78/1343350378.db2.gz WUJLAPSSIJUUHE-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036201165 1343360836 /nfs/dbraw/zinc/36/08/36/1343360836.db2.gz BZLBVFNFPTUTFZ-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036309933 1343412005 /nfs/dbraw/zinc/41/20/05/1343412005.db2.gz HVIHGYLEAIQJIL-QUCCMNQESA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001036399759 1343465295 /nfs/dbraw/zinc/46/52/95/1343465295.db2.gz ILMNEIAAZQKZHB-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036408008 1343469198 /nfs/dbraw/zinc/46/91/98/1343469198.db2.gz CYVOKBXSXSTSRA-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717425 1343649600 /nfs/dbraw/zinc/64/96/00/1343649600.db2.gz VRUMTEYKNNMVTQ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037923912 1344183804 /nfs/dbraw/zinc/18/38/04/1344183804.db2.gz GDCCAAKDNIEJAZ-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1[NH2+]CC(C)C ZINC001037940511 1344193755 /nfs/dbraw/zinc/19/37/55/1344193755.db2.gz MKRWLKUJLLQXNH-UYAOXDASSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248082 1344342944 /nfs/dbraw/zinc/34/29/44/1344342944.db2.gz LUXMXLXVAWKLBB-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCCC2)CC1 ZINC001038862886 1344618650 /nfs/dbraw/zinc/61/86/50/1344618650.db2.gz JMLYYBVIDWAGQY-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCC2)c1 ZINC001039039753 1344728431 /nfs/dbraw/zinc/72/84/31/1344728431.db2.gz KFEADCZKBXKXAL-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039133747 1344812019 /nfs/dbraw/zinc/81/20/19/1344812019.db2.gz LPOSXJSQUPVYJS-VQTJNVASSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133977 1344812361 /nfs/dbraw/zinc/81/23/61/1344812361.db2.gz NEUPVMGUGHODMU-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039136973 1344815584 /nfs/dbraw/zinc/81/55/84/1344815584.db2.gz LEVHQOVWEZTBQA-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167259 1344853500 /nfs/dbraw/zinc/85/35/00/1344853500.db2.gz PXFDOPWOVCJSCS-WOJBJXKFSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1)[NH+]1CCCC1 ZINC001039176236 1344868848 /nfs/dbraw/zinc/86/88/48/1344868848.db2.gz QEIODDDHFSVSNR-UXHICEINSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214368 1344929639 /nfs/dbraw/zinc/92/96/39/1344929639.db2.gz OKPIKEWELLLJPD-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375472 1345033280 /nfs/dbraw/zinc/03/32/80/1345033280.db2.gz GVJYVDZAVQRRHN-MOPGFXCFSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474495 1345088897 /nfs/dbraw/zinc/08/88/97/1345088897.db2.gz LCFPMKQHTUNESV-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474378 1345089284 /nfs/dbraw/zinc/08/92/84/1345089284.db2.gz FFLNUGYXGVPQSJ-HSALFYBXSA-N 2 0 347.547 3.138 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001039913578 1345244923 /nfs/dbraw/zinc/24/49/23/1345244923.db2.gz AZAGKESDYZCCTB-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001040017297 1345289220 /nfs/dbraw/zinc/28/92/20/1345289220.db2.gz IPCJGVSFUJKIMA-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040226902 1345384515 /nfs/dbraw/zinc/38/45/15/1345384515.db2.gz AODATORXVAHRET-LJQANCHMSA-N 2 0 349.544 3.148 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)C1CC1 ZINC001040239910 1345390029 /nfs/dbraw/zinc/39/00/29/1345390029.db2.gz ASAICOQHRUPEBY-WIYYLYMNSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240892 1345391379 /nfs/dbraw/zinc/39/13/79/1345391379.db2.gz KRJONPQDRIIJNX-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432325 1345494966 /nfs/dbraw/zinc/49/49/66/1345494966.db2.gz NRWVYHXOLLQFIF-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041599593 1345788292 /nfs/dbraw/zinc/78/82/92/1345788292.db2.gz IGRLSJWLYZPQDU-CUWPLCDZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001041644493 1345808986 /nfs/dbraw/zinc/80/89/86/1345808986.db2.gz DUJQUIYWAKWSCW-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845932 1345871531 /nfs/dbraw/zinc/87/15/31/1345871531.db2.gz SJVNWCNKUOKIJT-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042187095 1345974145 /nfs/dbraw/zinc/97/41/45/1345974145.db2.gz LOSJDEAXEYIFSU-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCC2CCCCC2)C1 ZINC001044183922 1346268098 /nfs/dbraw/zinc/26/80/98/1346268098.db2.gz WMFRLDUICAYONS-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1C[NH+](CC2CCCCC2)C1 ZINC001044334863 1346301334 /nfs/dbraw/zinc/30/13/34/1346301334.db2.gz ZFFWPXOWCMYVSM-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825796 1346436174 /nfs/dbraw/zinc/43/61/74/1346436174.db2.gz WHALIHZVXYGQBK-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001045036928 1346484038 /nfs/dbraw/zinc/48/40/38/1346484038.db2.gz GOWQOJBQTNRQPV-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001045182255 1346517520 /nfs/dbraw/zinc/51/75/20/1346517520.db2.gz QENJUUISTNQBKG-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)[NH+]1CCCCCC1 ZINC001045229603 1346536302 /nfs/dbraw/zinc/53/63/02/1346536302.db2.gz REKUIUGWWXIUSZ-WMZOPIPTSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045228849 1346536365 /nfs/dbraw/zinc/53/63/65/1346536365.db2.gz CSXMXUJYACVSFY-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045228850 1346536403 /nfs/dbraw/zinc/53/64/03/1346536403.db2.gz CSXMXUJYACVSFY-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1)C1CCC1 ZINC001045795148 1346700172 /nfs/dbraw/zinc/70/01/72/1346700172.db2.gz RGKFSEUEUKLTKD-UXHICEINSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001045921608 1346758755 /nfs/dbraw/zinc/75/87/55/1346758755.db2.gz PJGTXOBQBKDKQJ-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001045943046 1346778689 /nfs/dbraw/zinc/77/86/89/1346778689.db2.gz FRSCJGHJXCXRNI-CTNGQTDRSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001045949746 1346784713 /nfs/dbraw/zinc/78/47/13/1346784713.db2.gz ONMZFDVRQADTEC-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966420 1346801597 /nfs/dbraw/zinc/80/15/97/1346801597.db2.gz WCHGHFCKPFOFAJ-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977536 1346813602 /nfs/dbraw/zinc/81/36/02/1346813602.db2.gz GMOUCZOZCIXBFM-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC)C2)C1 ZINC001045978718 1346815168 /nfs/dbraw/zinc/81/51/68/1346815168.db2.gz GNUTVBYASRZZCA-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001046330755 1346936465 /nfs/dbraw/zinc/93/64/65/1346936465.db2.gz RUUHNTAFKVUAFA-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483464 1346990810 /nfs/dbraw/zinc/99/08/10/1346990810.db2.gz AXAHVZKYFSEUDE-NRFANRHFSA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001046743162 1347079679 /nfs/dbraw/zinc/07/96/79/1347079679.db2.gz WZJIYCHEBVHFIK-OAQYLSRUSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760302 1347088387 /nfs/dbraw/zinc/08/83/87/1347088387.db2.gz FGKGORNAEHJPMD-OAQYLSRUSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](CCC3CC3)CC2)C1)[NH+](C)C ZINC001047242475 1347267954 /nfs/dbraw/zinc/26/79/54/1347267954.db2.gz GNGLWDRUVVIFKL-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C3CC[NH+](CC)CC3)C2)C1 ZINC001047248599 1347273807 /nfs/dbraw/zinc/27/38/07/1347273807.db2.gz NGGBKSBRQXBBBL-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698336 1357350551 /nfs/dbraw/zinc/35/05/51/1357350551.db2.gz XCSRTQJFWGPJFI-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578294 1347602834 /nfs/dbraw/zinc/60/28/34/1347602834.db2.gz NDJOVZHLPCVGTP-FNLKRUPLSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001048622615 1347622300 /nfs/dbraw/zinc/62/23/00/1347622300.db2.gz HPSRTVXDQWEEDF-MKXGPGLRSA-N 2 0 337.552 3.027 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049462689 1347861195 /nfs/dbraw/zinc/86/11/95/1347861195.db2.gz ABKDJLVQFTTYHU-VAMGGRTRSA-N 2 0 349.563 3.361 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001049483342 1347871021 /nfs/dbraw/zinc/87/10/21/1347871021.db2.gz VYHMQPRMQTYDGV-WJFTUGDTSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049504219 1347881407 /nfs/dbraw/zinc/88/14/07/1347881407.db2.gz FABHQGXKUGPITB-XUVXKRRUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049520214 1347888994 /nfs/dbraw/zinc/88/89/94/1347888994.db2.gz CCMDXZDYHQSVTG-VAMGGRTRSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC1 ZINC001049520623 1347889478 /nfs/dbraw/zinc/88/94/78/1347889478.db2.gz CXDHTPPLMYKUCX-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049520822 1347889487 /nfs/dbraw/zinc/88/94/87/1347889487.db2.gz DYWUYCQBYSWYJJ-XUVXKRRUSA-N 2 0 349.563 3.361 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC=C(C)C)C1 ZINC001049664483 1347963152 /nfs/dbraw/zinc/96/31/52/1347963152.db2.gz QLMZQQJPKNICFG-XUVXKRRUSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049908348 1348105763 /nfs/dbraw/zinc/10/57/63/1348105763.db2.gz HVHMXJKYRHLOGI-PMACEKPBSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049922517 1348114676 /nfs/dbraw/zinc/11/46/76/1348114676.db2.gz ZLNVPIPEEWFSMU-PMACEKPBSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC001050261644 1348221437 /nfs/dbraw/zinc/22/14/37/1348221437.db2.gz IMXHIOGDOPVEFT-OXJNMPFZSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001050265230 1348222807 /nfs/dbraw/zinc/22/28/07/1348222807.db2.gz LMKNYQLLYYYOHB-UZLBHIALSA-N 2 0 343.515 3.238 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050519096 1348282931 /nfs/dbraw/zinc/28/29/31/1348282931.db2.gz GBHCJDUYILLCIM-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050542579 1348286930 /nfs/dbraw/zinc/28/69/30/1348286930.db2.gz HHJSVMCACMZGNK-LJQANCHMSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)CC2)[NH+](C)C ZINC001050652493 1348317453 /nfs/dbraw/zinc/31/74/53/1348317453.db2.gz TVOCCAXSMSQISJ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001050764584 1348352227 /nfs/dbraw/zinc/35/22/27/1348352227.db2.gz FFAPIOFCLMYMOA-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001052377069 1348535291 /nfs/dbraw/zinc/53/52/91/1348535291.db2.gz MPBHJNIMUGJCKG-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052377132 1348535440 /nfs/dbraw/zinc/53/54/40/1348535440.db2.gz NPALFUUUZMXQDP-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381481 1348536927 /nfs/dbraw/zinc/53/69/27/1348536927.db2.gz RTMBSMNCVAPVJS-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001052392694 1348539253 /nfs/dbraw/zinc/53/92/53/1348539253.db2.gz APZFDAUIVRLKAM-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447028 1348543608 /nfs/dbraw/zinc/54/36/08/1348543608.db2.gz VVIOPJYBHKKEHO-MOPGFXCFSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001052620478 1348597767 /nfs/dbraw/zinc/59/77/67/1348597767.db2.gz OHSTXDYEWKGBNL-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001052620723 1348597779 /nfs/dbraw/zinc/59/77/79/1348597779.db2.gz SEASQMYJYHWOCJ-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001052621139 1348598605 /nfs/dbraw/zinc/59/86/05/1348598605.db2.gz XNLYUALJDXUIQJ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052711895 1348644637 /nfs/dbraw/zinc/64/46/37/1348644637.db2.gz ATNZUSPKBYAWRO-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052716305 1348646564 /nfs/dbraw/zinc/64/65/64/1348646564.db2.gz LHAHWFJBCQVDAU-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052762752 1348667978 /nfs/dbraw/zinc/66/79/78/1348667978.db2.gz BQUDEYVEABQDKM-OALUTQOASA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786974 1348679552 /nfs/dbraw/zinc/67/95/52/1348679552.db2.gz FSAMMVCIQKEEGU-LPHOPBHVSA-N 2 0 349.494 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967568 1348778647 /nfs/dbraw/zinc/77/86/47/1348778647.db2.gz JNZFHPDPNBFYET-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CCCC2)CC1 ZINC001052985406 1348788397 /nfs/dbraw/zinc/78/83/97/1348788397.db2.gz LRYGLAPTQTUXSF-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001053104758 1348941338 /nfs/dbraw/zinc/94/13/38/1348941338.db2.gz QIRRYHDIBOLVPQ-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108530 1348947755 /nfs/dbraw/zinc/94/77/55/1348947755.db2.gz VVWGVSFVBCLVLZ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CCC1 ZINC001054143729 1349153812 /nfs/dbraw/zinc/15/38/12/1349153812.db2.gz IYGBZDSMTXLQOG-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001054152949 1349156001 /nfs/dbraw/zinc/15/60/01/1349156001.db2.gz IVYVJWATMPWCKC-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159459 1349161503 /nfs/dbraw/zinc/16/15/03/1349161503.db2.gz VSWNPXXMLJNQEO-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001054296476 1349301298 /nfs/dbraw/zinc/30/12/98/1349301298.db2.gz NOSWXCMPJSMNQT-CEXWTWQISA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054736745 1349450048 /nfs/dbraw/zinc/45/00/48/1349450048.db2.gz NIKALGQVNRRJEX-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054738243 1349450830 /nfs/dbraw/zinc/45/08/30/1349450830.db2.gz OKAIWWXPPVFVRN-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC001322962223 1387256917 /nfs/dbraw/zinc/25/69/17/1387256917.db2.gz RJZMHQIFIARAHB-HXUWFJFHSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001071627988 1354811597 /nfs/dbraw/zinc/81/15/97/1354811597.db2.gz MTDGQTLAEBOFIT-NVXWUHKLSA-N 2 0 342.487 3.272 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071645576 1354824067 /nfs/dbraw/zinc/82/40/67/1354824067.db2.gz KZTRZXAPKOVNHA-AEFFLSMTSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCC1CCCCC1 ZINC001071794791 1354940455 /nfs/dbraw/zinc/94/04/55/1354940455.db2.gz FQBOUUZNOUNEDF-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1CC1CCC1 ZINC001071898195 1355013982 /nfs/dbraw/zinc/01/39/82/1355013982.db2.gz XATBZTBTOBPEAZ-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001071919813 1355024682 /nfs/dbraw/zinc/02/46/82/1355024682.db2.gz IGADZJKBZJQZQW-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CCC1CCCCC1 ZINC001071996837 1355065635 /nfs/dbraw/zinc/06/56/35/1355065635.db2.gz VMKGPACHWPOVEX-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072098656 1355128602 /nfs/dbraw/zinc/12/86/02/1355128602.db2.gz DLHIITXRSHRQRT-IEBWSBKVSA-N 2 0 343.515 3.297 20 0 EGADRP CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109355 1355135967 /nfs/dbraw/zinc/13/59/67/1355135967.db2.gz FSVXPWDFDQODSS-CVEARBPZSA-N 2 0 335.492 3.114 20 0 EGADRP C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001072334513 1355243882 /nfs/dbraw/zinc/24/38/82/1355243882.db2.gz CKLSYNYXWYDIJZ-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462190 1355795568 /nfs/dbraw/zinc/79/55/68/1355795568.db2.gz OAEZGFHWIHALGB-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@H]2CCCCN2C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001074045597 1356050878 /nfs/dbraw/zinc/05/08/78/1356050878.db2.gz YLQQUMBFZQQQAM-NTFDOXNWSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2=CCCCC2)C1 ZINC001074064904 1356062888 /nfs/dbraw/zinc/06/28/88/1356062888.db2.gz UGXYJEPSIZBQPJ-AZUAARDMSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001074687827 1356224591 /nfs/dbraw/zinc/22/45/91/1356224591.db2.gz VQGJVOKAYCJOFM-ZWOKBUDYSA-N 2 0 343.515 3.119 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457100 1356389195 /nfs/dbraw/zinc/38/91/95/1356389195.db2.gz JXWNMCYSYNZDDD-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)CC1 ZINC001075458605 1356390454 /nfs/dbraw/zinc/39/04/54/1356390454.db2.gz LDUPLHWVZIIGLX-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001075461463 1356395207 /nfs/dbraw/zinc/39/52/07/1356395207.db2.gz HWDLKAVDDORUCJ-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001075461969 1356396268 /nfs/dbraw/zinc/39/62/68/1356396268.db2.gz XTXFYBJPBZIEIF-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(CC)CC)C[C@H]32)C1 ZINC001076161797 1356510121 /nfs/dbraw/zinc/51/01/21/1356510121.db2.gz TVMPZDXDLFYYSQ-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256061 1387286310 /nfs/dbraw/zinc/28/63/10/1387286310.db2.gz QIWMXNHVVJEXCC-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126847 1363639725 /nfs/dbraw/zinc/63/97/25/1363639725.db2.gz YLXIFUPEWFRFHQ-IHVSBYRNSA-N 2 0 337.552 3.290 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078746175 1357070464 /nfs/dbraw/zinc/07/04/64/1357070464.db2.gz IOOONJSQWLLWRU-RTBURBONSA-N 2 0 343.515 3.035 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC(C)C)C[C@H]2C)o1 ZINC001081028396 1357786958 /nfs/dbraw/zinc/78/69/58/1357786958.db2.gz GDOWAARQTBSGBN-SJLPKXTDSA-N 2 0 349.519 3.218 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082570328 1358058069 /nfs/dbraw/zinc/05/80/69/1358058069.db2.gz HGFWHXHTIDMXFW-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701554 1358287499 /nfs/dbraw/zinc/28/74/99/1358287499.db2.gz IWSWOQSGKYKKSQ-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853165 1358328489 /nfs/dbraw/zinc/32/84/89/1358328489.db2.gz OTJRECLDJCOFQU-VAMGGRTRSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958443 1358355078 /nfs/dbraw/zinc/35/50/78/1358355078.db2.gz ZMARXLZSSJHDMG-AQNXPRMDSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CCCC3)[C@H]2C1)[NH+](C)C ZINC001084964675 1358355936 /nfs/dbraw/zinc/35/59/36/1358355936.db2.gz KUDLGYGIFDQWGK-AABGKKOBSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067183 1358382007 /nfs/dbraw/zinc/38/20/07/1358382007.db2.gz VDHSUDCHUDJPDB-NSHGMRRFSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085196885 1358431364 /nfs/dbraw/zinc/43/13/64/1358431364.db2.gz RKOYWKSLTCFVSB-GUDVDZBRSA-N 2 0 349.563 3.312 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085217425 1358436182 /nfs/dbraw/zinc/43/61/82/1358436182.db2.gz AWGZPVUFIKWADD-AQNXPRMDSA-N 2 0 343.515 3.078 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085225073 1358437907 /nfs/dbraw/zinc/43/79/07/1358437907.db2.gz HGLMEPTZLPFPLS-VAMGGRTRSA-N 2 0 347.547 3.211 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)cs1 ZINC001085246018 1358443166 /nfs/dbraw/zinc/44/31/66/1358443166.db2.gz YTSYWHZIEXBADY-KZNAEPCWSA-N 2 0 349.544 3.058 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085593572 1358619875 /nfs/dbraw/zinc/61/98/75/1358619875.db2.gz MITYCVHQGLFQLY-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085639837 1358652454 /nfs/dbraw/zinc/65/24/54/1358652454.db2.gz XDGULNHCPRYXAL-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085856361 1358824717 /nfs/dbraw/zinc/82/47/17/1358824717.db2.gz XGBSYAVBZRWZAS-ZWKOTPCHSA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918308 1358878659 /nfs/dbraw/zinc/87/86/59/1358878659.db2.gz ZLUBNRVBKYZDJV-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1ccccc1Br ZINC001333698179 1390377277 /nfs/dbraw/zinc/37/72/77/1390377277.db2.gz MXWBZWWGLTXXPV-ZDUSSCGKSA-N 2 0 341.293 3.148 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)[C@H]1CN(C)CCN1C ZINC001183920048 1387370579 /nfs/dbraw/zinc/37/05/79/1387370579.db2.gz UDTGTZWQNXSDMP-OYNPSCLESA-N 2 0 329.532 3.327 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001086122814 1359002887 /nfs/dbraw/zinc/00/28/87/1359002887.db2.gz ZECLESJSAFSQRG-MDNKFWRPSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086134211 1359005533 /nfs/dbraw/zinc/00/55/33/1359005533.db2.gz VRTGUVKOGMWWAP-HSALFYBXSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086217025 1359030916 /nfs/dbraw/zinc/03/09/16/1359030916.db2.gz KOLGEXFZRIMWJL-ZCNNSNEGSA-N 2 0 349.563 3.314 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC001183957910 1387374841 /nfs/dbraw/zinc/37/48/41/1387374841.db2.gz GAXTYRAPQAGUIZ-MRXNPFEDSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086364659 1359078272 /nfs/dbraw/zinc/07/82/72/1359078272.db2.gz MGUPTSHFVQADAQ-WFAGLZIHSA-N 2 0 349.563 3.170 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001086429539 1359095443 /nfs/dbraw/zinc/09/54/43/1359095443.db2.gz XTKVCLJRFMMWGP-SAABIXHNSA-N 2 0 340.471 3.013 20 0 EGADRP Cc1c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc2c[nH+]cn21 ZINC001323522085 1387381388 /nfs/dbraw/zinc/38/13/88/1387381388.db2.gz NFMDJSKDFRBVPI-HOTGVXAUSA-N 2 0 342.487 3.131 20 0 EGADRP Cc1c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc2c[nH+]cn21 ZINC001323522089 1387381587 /nfs/dbraw/zinc/38/15/87/1387381587.db2.gz NFMDJSKDFRBVPI-IYBDPMFKSA-N 2 0 342.487 3.131 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)CC1 ZINC001086951516 1359271695 /nfs/dbraw/zinc/27/16/95/1359271695.db2.gz HENQSQKLDINUBL-GOSISDBHSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001323555488 1387387657 /nfs/dbraw/zinc/38/76/57/1387387657.db2.gz RACWWJRMBCBIFT-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087201260 1359319279 /nfs/dbraw/zinc/31/92/79/1359319279.db2.gz IOTJIKJDMWBGMQ-HOJAQTOUSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087212275 1359323032 /nfs/dbraw/zinc/32/30/32/1359323032.db2.gz UNCRCRPRECXMKT-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001087246031 1359329894 /nfs/dbraw/zinc/32/98/94/1359329894.db2.gz VZGHSCBHPDMATK-NBDWZHNGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309165 1359396309 /nfs/dbraw/zinc/39/63/09/1359396309.db2.gz BQWVENUYDAPQNY-HOJAQTOUSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578726 1359539316 /nfs/dbraw/zinc/53/93/16/1359539316.db2.gz LKKJUXWSZKBKDH-VNTMZGSJSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1Cc1csc(C)c1 ZINC001087726016 1359614303 /nfs/dbraw/zinc/61/43/03/1359614303.db2.gz OATOPVNEVCYPJV-FHLIZLRMSA-N 2 0 349.544 3.010 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CCC(C)C ZINC001087749624 1359626702 /nfs/dbraw/zinc/62/67/02/1359626702.db2.gz RUZPLLACOAGLAO-OTWHNJEPSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1Cc1ccccc1 ZINC001087840589 1359673543 /nfs/dbraw/zinc/67/35/43/1359673543.db2.gz DTSYJWUPLYHMDP-ZCNNSNEGSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC001087840926 1359674800 /nfs/dbraw/zinc/67/48/00/1359674800.db2.gz UUTSEXFPSAUZMM-UXTUSRMKSA-N 2 0 349.906 3.083 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCC(C)(C)C ZINC001087840944 1359675125 /nfs/dbraw/zinc/67/51/25/1359675125.db2.gz VYGNITPCZXIFHD-KSZLIROESA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088382017 1359865096 /nfs/dbraw/zinc/86/50/96/1359865096.db2.gz RYEZDECRYFIZPC-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CCC3CC3)C2)CC1 ZINC001088408223 1359879742 /nfs/dbraw/zinc/87/97/42/1359879742.db2.gz QHTPVIMKVMRDQZ-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088430771 1359898444 /nfs/dbraw/zinc/89/84/44/1359898444.db2.gz YEBMKFZQKGRGTD-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430714 1359898606 /nfs/dbraw/zinc/89/86/06/1359898606.db2.gz WRTCCUWIAPAZIS-LJQANCHMSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001088621628 1359994256 /nfs/dbraw/zinc/99/42/56/1359994256.db2.gz MNXUCEWXYXRDKE-RLLQIKCJSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC001088939511 1360108415 /nfs/dbraw/zinc/10/84/15/1360108415.db2.gz UREMBKNXLUTTLL-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001089060711 1360152333 /nfs/dbraw/zinc/15/23/33/1360152333.db2.gz CPGJOLNXKWOATH-NEWSRXKRSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089226349 1360267810 /nfs/dbraw/zinc/26/78/10/1360267810.db2.gz GSCLAGLTMPACMW-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001089252736 1360283934 /nfs/dbraw/zinc/28/39/34/1360283934.db2.gz VBLUPJYWVBJTKP-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001184411818 1387452252 /nfs/dbraw/zinc/45/22/52/1387452252.db2.gz IWCBCKZRGIZORA-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089405770 1360404672 /nfs/dbraw/zinc/40/46/72/1360404672.db2.gz DULYYXHKRWICDU-ZWKOTPCHSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089407277 1360405961 /nfs/dbraw/zinc/40/59/61/1360405961.db2.gz XUHYUSMVPPZDPC-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089428028 1360420247 /nfs/dbraw/zinc/42/02/47/1360420247.db2.gz VPSHWQAWQPTZRZ-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441672 1360431411 /nfs/dbraw/zinc/43/14/11/1360431411.db2.gz JOHVKWUIXWJSTH-KRWDZBQOSA-N 2 0 342.487 3.211 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089458566 1360445088 /nfs/dbraw/zinc/44/50/88/1360445088.db2.gz MEGITGLFJJIHJY-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558193 1360506657 /nfs/dbraw/zinc/50/66/57/1360506657.db2.gz FPEGRMOVUNIUHE-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCCC1 ZINC001089615745 1360536085 /nfs/dbraw/zinc/53/60/85/1360536085.db2.gz BERDADAZIVNNJM-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CCCC1 ZINC001089617372 1360536845 /nfs/dbraw/zinc/53/68/45/1360536845.db2.gz ZUSPKTFUYMCFKS-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089639164 1360552644 /nfs/dbraw/zinc/55/26/44/1360552644.db2.gz OYBQBFNEIOGXBW-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662842 1360573306 /nfs/dbraw/zinc/57/33/06/1360573306.db2.gz GKEULCREWHWIBE-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686547 1360592503 /nfs/dbraw/zinc/59/25/03/1360592503.db2.gz VGLWYURSRXPCNI-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091026091 1360982340 /nfs/dbraw/zinc/98/23/40/1360982340.db2.gz HQWDMCXCBLACCI-SOAGJPPSSA-N 2 0 347.547 3.234 20 0 EGADRP C[C@H]([NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001091123890 1360994485 /nfs/dbraw/zinc/99/44/85/1360994485.db2.gz MWBFAWLLYVGTRQ-LYGPFTKASA-N 2 0 348.450 3.194 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001091306391 1361037472 /nfs/dbraw/zinc/03/74/72/1361037472.db2.gz LOSOFHZOVBVXPY-UHFFFAOYSA-N 2 0 349.563 3.027 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)CCCC1 ZINC001184629336 1387501566 /nfs/dbraw/zinc/50/15/66/1387501566.db2.gz XWUFBVXFAGOPOF-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184725281 1387521510 /nfs/dbraw/zinc/52/15/10/1387521510.db2.gz RSCYDHVAZJESIO-MOPGFXCFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093806300 1361699825 /nfs/dbraw/zinc/69/98/25/1361699825.db2.gz VKBOAKFFXBJGRO-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001324075258 1387530228 /nfs/dbraw/zinc/53/02/28/1387530228.db2.gz PVRATYIRUWLHGF-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498498 1361831171 /nfs/dbraw/zinc/83/11/71/1361831171.db2.gz KBRLVXIAYJKJCK-YLJYHZDGSA-N 2 0 347.503 3.116 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417158 1362133539 /nfs/dbraw/zinc/13/35/39/1362133539.db2.gz ILKZKQVROFWDCS-RNQOJCNYSA-N 2 0 347.547 3.163 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184891866 1387556718 /nfs/dbraw/zinc/55/67/18/1387556718.db2.gz KEXLCZMXWHWQGH-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001096101462 1362382918 /nfs/dbraw/zinc/38/29/18/1362382918.db2.gz XCEVGJGIXNGMDY-RNQOJCNYSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097405618 1362974944 /nfs/dbraw/zinc/97/49/44/1362974944.db2.gz OLYVFUJPLGZARC-AKHDSKFASA-N 2 0 349.563 3.265 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185071931 1387609497 /nfs/dbraw/zinc/60/94/97/1387609497.db2.gz BXYNSGKDHYZJHS-QRMWTIMZSA-N 2 0 349.563 3.149 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)C1 ZINC001097852574 1363142224 /nfs/dbraw/zinc/14/22/24/1363142224.db2.gz CKWYFZJRLPZSBU-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098037695 1363203813 /nfs/dbraw/zinc/20/38/13/1363203813.db2.gz ZINDPHUGSUPPRM-XLNTUCKNSA-N 2 0 343.515 3.129 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069980 1363606771 /nfs/dbraw/zinc/60/67/71/1363606771.db2.gz QNSNKMKJCJSYBZ-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001099154563 1363660395 /nfs/dbraw/zinc/66/03/95/1363660395.db2.gz ZQILRGRMRFEVQN-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099200258 1363689658 /nfs/dbraw/zinc/68/96/58/1363689658.db2.gz XZFXBUKFVMCGEG-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236291 1363706887 /nfs/dbraw/zinc/70/68/87/1363706887.db2.gz ZMNACCAGSWRPPT-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1)[NH+](C)C ZINC001099240503 1363709319 /nfs/dbraw/zinc/70/93/19/1363709319.db2.gz RVPTWUPQICFVRA-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099299428 1363737787 /nfs/dbraw/zinc/73/77/87/1363737787.db2.gz UEXCDHHIXIWAFT-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099298970 1363738146 /nfs/dbraw/zinc/73/81/46/1363738146.db2.gz PKIOXYCWSBSJEA-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C/C=C\Cl ZINC001099310671 1363743524 /nfs/dbraw/zinc/74/35/24/1363743524.db2.gz SGLGLPBZFWWWEF-UBAGTECSSA-N 2 0 343.943 3.078 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099311277 1363744562 /nfs/dbraw/zinc/74/45/62/1363744562.db2.gz ZKRBVLWZPWGXJO-HMTUNPETSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(CC)CC ZINC001099319967 1363747693 /nfs/dbraw/zinc/74/76/93/1363747693.db2.gz GRGLYEOGNKZSAJ-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C[C@H](F)CC ZINC001099320974 1363748324 /nfs/dbraw/zinc/74/83/24/1363748324.db2.gz NIHOVTWLFSXCFN-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)C[NH+]2CCCC2)[N@H+](CCC2CCCC2)C1 ZINC001099340194 1363760364 /nfs/dbraw/zinc/76/03/64/1363760364.db2.gz QPMILQGOMJUISI-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)CCC[NH+]2CCCC2)[N@H+](CCC2CC2)C1 ZINC001099354545 1363769387 /nfs/dbraw/zinc/76/93/87/1363769387.db2.gz UPIYDWWATGQFAD-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100335066 1364082691 /nfs/dbraw/zinc/08/26/91/1364082691.db2.gz IXHREGORIJLRKT-AATRIKPKSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405755 1364104210 /nfs/dbraw/zinc/10/42/10/1364104210.db2.gz LOVLKCWORZFUIA-FAFZWHIHSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001100443558 1364116559 /nfs/dbraw/zinc/11/65/59/1364116559.db2.gz NTJYRRSDHRHAOF-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001100456981 1364120719 /nfs/dbraw/zinc/12/07/19/1364120719.db2.gz LXRPWODNDTWGSR-KSTDHSDQSA-N 2 0 349.494 3.101 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536101 1364151011 /nfs/dbraw/zinc/15/10/11/1364151011.db2.gz KCGGLNLVAARFFY-WWDZGPRUSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)(C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001100562434 1364163760 /nfs/dbraw/zinc/16/37/60/1364163760.db2.gz MOTWMRCOLZOUPD-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)[NH+](CC)CC ZINC001100669064 1364211185 /nfs/dbraw/zinc/21/11/85/1364211185.db2.gz MZSQWRLSMUVKLW-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033224 1364382596 /nfs/dbraw/zinc/38/25/96/1364382596.db2.gz IKVRELQSPWMJNU-SNAWJCMRSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCC3CCCCCC3)C[C@@]2(C)C1 ZINC001101351522 1364522350 /nfs/dbraw/zinc/52/23/50/1364522350.db2.gz IWEKNBPRCMVMKR-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487267 1364579625 /nfs/dbraw/zinc/57/96/25/1364579625.db2.gz VKTKQYAJJLFGAY-ZVDOUQERSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001101548003 1364611839 /nfs/dbraw/zinc/61/18/39/1364611839.db2.gz ZDNVPSOMSRKYKT-UHFFFAOYSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045091 1364821954 /nfs/dbraw/zinc/82/19/54/1364821954.db2.gz REENEFUKUAMUFJ-VJQBDMSCSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001102071315 1364836679 /nfs/dbraw/zinc/83/66/79/1364836679.db2.gz JVVHJJFOFJBXCN-KURKYZTESA-N 2 0 339.568 3.083 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1cccc2ccccc21 ZINC001185400592 1387705552 /nfs/dbraw/zinc/70/55/52/1387705552.db2.gz DWELWLNAZXHIRB-SJLPKXTDSA-N 2 0 339.483 3.043 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430446 1365050513 /nfs/dbraw/zinc/05/05/13/1365050513.db2.gz QRMPSSQGPOCMPL-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102496163 1365087012 /nfs/dbraw/zinc/08/70/12/1365087012.db2.gz HMWGQADBWPIJKK-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601408 1365131385 /nfs/dbraw/zinc/13/13/85/1365131385.db2.gz BPLPUCVCTQXMGM-VAMGGRTRSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192448 1365428808 /nfs/dbraw/zinc/42/88/08/1365428808.db2.gz TWWRZIXOIMBESX-SJLPKXTDSA-N 2 0 342.487 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001185550165 1387745882 /nfs/dbraw/zinc/74/58/82/1387745882.db2.gz STLQUCDBMPTMSS-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232241 1365446770 /nfs/dbraw/zinc/44/67/70/1365446770.db2.gz CRSHVZAIIXMMOM-GVDBMIGSSA-N 2 0 342.487 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185550533 1387746030 /nfs/dbraw/zinc/74/60/30/1387746030.db2.gz UGAOCVPDKPVWNU-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379048 1365525529 /nfs/dbraw/zinc/52/55/29/1365525529.db2.gz XRJCFMOPBKCYLH-YZBXUTEPSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654866 1365705409 /nfs/dbraw/zinc/70/54/09/1365705409.db2.gz GCIATDVDEGKQJZ-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103753628 1365765206 /nfs/dbraw/zinc/76/52/06/1365765206.db2.gz RVRHQHWYZCHEEO-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001104000107 1365867618 /nfs/dbraw/zinc/86/76/18/1365867618.db2.gz VTUSOBIANAZZMU-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001185676304 1387775566 /nfs/dbraw/zinc/77/55/66/1387775566.db2.gz TUBPELGQJSWCHU-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291780 1365977628 /nfs/dbraw/zinc/97/76/28/1365977628.db2.gz VFYVENXWXZMBLJ-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104322479 1365980043 /nfs/dbraw/zinc/98/00/43/1365980043.db2.gz MRHXNLFPZBKNDR-QRVBRYPASA-N 2 0 339.568 3.083 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104355354 1365984275 /nfs/dbraw/zinc/98/42/75/1365984275.db2.gz YRLGMGDNPGCZAE-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001324817435 1387782645 /nfs/dbraw/zinc/78/26/45/1387782645.db2.gz IJWZQPFAQLDMBB-JXFKEZNVSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001324817310 1387782787 /nfs/dbraw/zinc/78/27/87/1387782787.db2.gz FTUZMJJHIIWGGX-FPOVZHCZSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001185707202 1387783377 /nfs/dbraw/zinc/78/33/77/1387783377.db2.gz YWDLCBRKILVJEX-RTBURBONSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104600177 1366096075 /nfs/dbraw/zinc/09/60/75/1366096075.db2.gz ZJJYNYQUNJMEFU-YZBXUTEPSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754598 1366158027 /nfs/dbraw/zinc/15/80/27/1366158027.db2.gz FTSXJUUDKOSVLH-WYTZPYIFSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185763528 1387792971 /nfs/dbraw/zinc/79/29/71/1387792971.db2.gz SQAHNGPOMVDMRQ-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC001104958134 1366242015 /nfs/dbraw/zinc/24/20/15/1366242015.db2.gz GLMKDVQVGUCHHQ-SBHAEUEKSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105575440 1366540468 /nfs/dbraw/zinc/54/04/68/1366540468.db2.gz ZEAVJNMXNFYFBF-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579807 1366543030 /nfs/dbraw/zinc/54/30/30/1366543030.db2.gz WLXKJZHGLZZXHZ-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106111712 1366612323 /nfs/dbraw/zinc/61/23/23/1366612323.db2.gz PYCCWRXHMGZWTO-DSTKZSRVSA-N 2 0 349.563 3.290 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249415 1366633781 /nfs/dbraw/zinc/63/37/81/1366633781.db2.gz GSECAAZEVYTGPY-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC001106336692 1366659876 /nfs/dbraw/zinc/65/98/76/1366659876.db2.gz ZUROFNMUHFGTIF-ZIFCJYIRSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001106339871 1366660563 /nfs/dbraw/zinc/66/05/63/1366660563.db2.gz CUEAMLMEQKHRMB-RCCFBDPRSA-N 2 0 339.568 3.083 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106516944 1366719644 /nfs/dbraw/zinc/71/96/44/1366719644.db2.gz QUGASORVPONXBZ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1)[NH+](CC)CC ZINC001106660504 1366767987 /nfs/dbraw/zinc/76/79/87/1366767987.db2.gz PMXQFFIYUFGHSL-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660499 1366768003 /nfs/dbraw/zinc/76/80/03/1366768003.db2.gz PJRBANKFTQETEN-QRVBRYPASA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC(C)C)[C@H](C)C1 ZINC001106905155 1366829221 /nfs/dbraw/zinc/82/92/21/1366829221.db2.gz CLEFEFNEOPOISF-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037408 1366862579 /nfs/dbraw/zinc/86/25/79/1366862579.db2.gz CYAFKUMQGBRIOA-VJQBDMSCSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439366 1366963674 /nfs/dbraw/zinc/96/36/74/1366963674.db2.gz XVXGUOSUFMLXAK-SVFBPWRDSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450528 1366967949 /nfs/dbraw/zinc/96/79/49/1366967949.db2.gz KHUJBOVAEVUDEP-BYZPHCBNSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495011 1366994266 /nfs/dbraw/zinc/99/42/66/1366994266.db2.gz FZKJQOVAWDLTQD-YLJYHZDGSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109263725 1367032657 /nfs/dbraw/zinc/03/26/57/1367032657.db2.gz HGKBEZSLIUBUOL-ZVFVRTEYSA-N 2 0 347.547 3.327 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546925 1367036862 /nfs/dbraw/zinc/03/68/62/1367036862.db2.gz TZQUHLRXICSRBV-LGVOAYDWSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2=CCCCC2)CCC1 ZINC001109403619 1367106302 /nfs/dbraw/zinc/10/63/02/1367106302.db2.gz QBJIDAVKCDIBCZ-QYZOEREBSA-N 2 0 345.531 3.083 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1)C1CCC1 ZINC001109410866 1367109286 /nfs/dbraw/zinc/10/92/86/1367109286.db2.gz ZCPATZHJXPSDTN-AABGKKOBSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109419251 1367113343 /nfs/dbraw/zinc/11/33/43/1367113343.db2.gz LDCOSHSVHGWWAG-RDGPPVDQSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560613 1367198558 /nfs/dbraw/zinc/19/85/58/1367198558.db2.gz JEZIVJSOBUMBDC-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCC2)CCCC1 ZINC001109565734 1367202002 /nfs/dbraw/zinc/20/20/02/1367202002.db2.gz ZPKZKIXSNNPFQY-QYZOEREBSA-N 2 0 347.547 3.163 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186081835 1387861901 /nfs/dbraw/zinc/86/19/01/1387861901.db2.gz BHDUVIILAAMHTI-PWBPZBFBSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001186083194 1387861941 /nfs/dbraw/zinc/86/19/41/1387861941.db2.gz VBYNNHCWAZAGHN-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190444601 1367267548 /nfs/dbraw/zinc/26/75/48/1367267548.db2.gz RKXZACGCWKIUCI-INIZCTEOSA-N 2 0 337.533 3.146 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190485367 1367274363 /nfs/dbraw/zinc/27/43/63/1367274363.db2.gz ZPOBMNVUJDWKEC-ZSQQTYLHSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C)[NH+](CC)CC ZINC001109714459 1367289538 /nfs/dbraw/zinc/28/95/38/1367289538.db2.gz LKGYZOMYKIWPKK-HCXYKTFWSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001109714664 1367289699 /nfs/dbraw/zinc/28/96/99/1367289699.db2.gz RWJLQSSSRKAHNN-FYQPLNBISA-N 2 0 347.547 3.329 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001109733207 1367295067 /nfs/dbraw/zinc/29/50/67/1367295067.db2.gz HVFNQDVPONLYIQ-XWSJACJDSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001190655522 1367318681 /nfs/dbraw/zinc/31/86/81/1367318681.db2.gz POJNAUFOSIVRMZ-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798574 1367328503 /nfs/dbraw/zinc/32/85/03/1367328503.db2.gz JDLFKNLBJRRMIZ-CTKDGEJNSA-N 2 0 347.547 3.327 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798451 1367329205 /nfs/dbraw/zinc/32/92/05/1367329205.db2.gz HEJRUIMBZWYDPJ-UOUNDWCUSA-N 2 0 347.547 3.186 20 0 EGADRP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324979943 1387870100 /nfs/dbraw/zinc/87/01/00/1387870100.db2.gz ZKOLMROHURQFQG-OAQYLSRUSA-N 2 0 345.531 3.380 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001190997172 1367398428 /nfs/dbraw/zinc/39/84/28/1367398428.db2.gz RTNICNDGIWUMOM-CRAIPNDOSA-N 2 0 349.494 3.150 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([N@@H+](C)CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001191079984 1367419140 /nfs/dbraw/zinc/41/91/40/1367419140.db2.gz CRQNDSQXUOXOMS-SFHVURJKSA-N 2 0 342.487 3.225 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109968973 1367434850 /nfs/dbraw/zinc/43/48/50/1367434850.db2.gz KMLGGTLHOCYQIK-QYZOEREBSA-N 2 0 337.552 3.410 20 0 EGADRP Cc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC001191259193 1367461818 /nfs/dbraw/zinc/46/18/18/1367461818.db2.gz SWKVDYSDEIDDRO-KRWDZBQOSA-N 2 0 335.467 3.269 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001110158833 1367531489 /nfs/dbraw/zinc/53/14/89/1367531489.db2.gz VRDHSFBKZADOLB-FUMNGEBKSA-N 2 0 347.547 3.019 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108804801 1367606772 /nfs/dbraw/zinc/60/67/72/1367606772.db2.gz YOLFTLFAYMYUEC-AMIRNFFCSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828704 1367623989 /nfs/dbraw/zinc/62/39/89/1367623989.db2.gz YOPRIZHEDLSDHD-IQUHNSSXSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045255 1367673994 /nfs/dbraw/zinc/67/39/94/1367673994.db2.gz BCLLVMTWSWREDI-RTBURBONSA-N 2 0 349.494 3.151 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657899 1367901387 /nfs/dbraw/zinc/90/13/87/1367901387.db2.gz DIVXOTLZOHXPRJ-UXKFTAHHSA-N 2 0 347.547 3.042 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCCCCF)C1 ZINC001192905317 1367901546 /nfs/dbraw/zinc/90/15/46/1367901546.db2.gz DVCITXDOVJMENK-GOSISDBHSA-N 2 0 343.531 3.171 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204254 1367965891 /nfs/dbraw/zinc/96/58/91/1367965891.db2.gz DHMBYEHZJPSIEJ-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)CC1 ZINC001193205693 1367966089 /nfs/dbraw/zinc/96/60/89/1367966089.db2.gz USPBVXOCGOCDPF-GOSISDBHSA-N 2 0 337.552 3.076 20 0 EGADRP CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423467 1368025108 /nfs/dbraw/zinc/02/51/08/1368025108.db2.gz ACZPWBXTWVOQMO-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001193569804 1368064158 /nfs/dbraw/zinc/06/41/58/1368064158.db2.gz DQJBDQCQWXIGMM-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193600968 1368070583 /nfs/dbraw/zinc/07/05/83/1368070583.db2.gz PJQRWWFYWQMMJR-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001193610698 1368073226 /nfs/dbraw/zinc/07/32/26/1368073226.db2.gz PSUMOBOAIAWJHQ-IBGZPJMESA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001193609482 1368073886 /nfs/dbraw/zinc/07/38/86/1368073886.db2.gz BJHZZNLUOWCVFN-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001111018327 1368144528 /nfs/dbraw/zinc/14/45/28/1368144528.db2.gz QVOXUVVJRQRNAF-TVFCKZIOSA-N 2 0 337.552 3.265 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001111125804 1368161419 /nfs/dbraw/zinc/16/14/19/1368161419.db2.gz NDSLUUWPVIJMBK-QHQPWCTLSA-N 2 0 344.503 3.056 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001194296085 1368225740 /nfs/dbraw/zinc/22/57/40/1368225740.db2.gz VSDHCYWLVYFKEI-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293571 1368225906 /nfs/dbraw/zinc/22/59/06/1368225906.db2.gz IBXMGYBGUYWFCJ-RBUKOAKNSA-N 2 0 349.494 3.150 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001111296487 1368256802 /nfs/dbraw/zinc/25/68/02/1368256802.db2.gz LEOVKDJLZWSDGK-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001111458464 1368310338 /nfs/dbraw/zinc/31/03/38/1368310338.db2.gz AMOCFFGJUWKCFD-AQNXPRMDSA-N 2 0 345.531 3.084 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001195111445 1368380441 /nfs/dbraw/zinc/38/04/41/1368380441.db2.gz CNXJOMGADZCKNN-HSALFYBXSA-N 2 0 329.532 3.171 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785802 1368490602 /nfs/dbraw/zinc/49/06/02/1368490602.db2.gz VYLYZXUYRMCTTL-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001111858192 1368509308 /nfs/dbraw/zinc/50/93/08/1368509308.db2.gz SRFXIXJSTSUZKP-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111872937 1368519783 /nfs/dbraw/zinc/51/97/83/1368519783.db2.gz ARFCFAMDUPOZJF-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111913834 1368554693 /nfs/dbraw/zinc/55/46/93/1368554693.db2.gz DGBHINNFXWJMSL-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111950917 1368571673 /nfs/dbraw/zinc/57/16/73/1368571673.db2.gz JRFUHMLLEGFESK-AQIYZVDXSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)c1ccccc1)C2 ZINC001112009738 1368613564 /nfs/dbraw/zinc/61/35/64/1368613564.db2.gz RNOIBNYBJCKNNW-LMNJBCLMSA-N 2 0 343.515 3.059 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890620 1368708462 /nfs/dbraw/zinc/70/84/62/1368708462.db2.gz TYHNPNJGQSVVDQ-ROUKRRSUSA-N 2 0 349.563 3.389 20 0 EGADRP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353474 1368784706 /nfs/dbraw/zinc/78/47/06/1368784706.db2.gz KUNWFVNAHVVFOB-ZJOUEHCJSA-N 2 0 347.547 3.044 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112396733 1368822783 /nfs/dbraw/zinc/82/27/83/1368822783.db2.gz BRZMVDCDFBDNBY-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](CCCCCF)CC1)C(C)C ZINC001197484152 1368824341 /nfs/dbraw/zinc/82/43/41/1368824341.db2.gz BIDXHYMNAHXKQB-GOSISDBHSA-N 2 0 343.531 3.027 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001112444161 1368859091 /nfs/dbraw/zinc/85/90/91/1368859091.db2.gz HOTORXNNSIIDGB-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001197691362 1368873271 /nfs/dbraw/zinc/87/32/71/1368873271.db2.gz HBDAZUJIFXDVKW-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197817013 1368905175 /nfs/dbraw/zinc/90/51/75/1368905175.db2.gz CPXULZFMYGZEAK-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506874 1368906151 /nfs/dbraw/zinc/90/61/51/1368906151.db2.gz JMKMDZJEEZNMOD-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2=CCCCC2)C1 ZINC001112523541 1368912753 /nfs/dbraw/zinc/91/27/53/1368912753.db2.gz ZPLVWALXWBXDKX-FPOVZHCZSA-N 2 0 347.547 3.047 20 0 EGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)cc1C ZINC001197885954 1368920080 /nfs/dbraw/zinc/92/00/80/1368920080.db2.gz LPHZFVANXBKHSP-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001325416310 1387968861 /nfs/dbraw/zinc/96/88/61/1387968861.db2.gz LHFXNABZPLUCJW-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1nn2c(CNC[C@H](C)C[NH+]3CCCC3)c(C(C)C)nc2s1 ZINC001199403755 1369220002 /nfs/dbraw/zinc/22/00/02/1369220002.db2.gz ZQPRDNPXWHVYQB-ZDUSSCGKSA-N 2 0 335.521 3.044 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001113439790 1369429872 /nfs/dbraw/zinc/42/98/72/1369429872.db2.gz VETYSGWNKOQJHU-IBGZPJMESA-N 2 0 339.568 3.325 20 0 EGADRP C[C@@H]1CCCN(C(=O)CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001325575119 1388005367 /nfs/dbraw/zinc/00/53/67/1388005367.db2.gz VGSXRVGEDXOXAO-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001113561519 1369494827 /nfs/dbraw/zinc/49/48/27/1369494827.db2.gz FYKIYFKTNMSJRL-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201230533 1369500198 /nfs/dbraw/zinc/50/01/98/1369500198.db2.gz UBPJLKKGPJFONK-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001201321719 1369518662 /nfs/dbraw/zinc/51/86/62/1369518662.db2.gz UYVZSAVPEDELIM-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001201378023 1369530648 /nfs/dbraw/zinc/53/06/48/1369530648.db2.gz AGZOYMXERHCGBA-INIZCTEOSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113676302 1369560680 /nfs/dbraw/zinc/56/06/80/1369560680.db2.gz NJPBJPHXYPVWKT-IBGZPJMESA-N 2 0 343.515 3.076 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3csc4ncccc34)cc[nH+]2)CC1 ZINC001201651635 1369597142 /nfs/dbraw/zinc/59/71/42/1369597142.db2.gz YZAGHTFCHYWIEX-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccccc3-n3cccc3)cc[nH+]2)CC1 ZINC001201667234 1369601410 /nfs/dbraw/zinc/60/14/10/1369601410.db2.gz OGJAYTADEXZZPE-UHFFFAOYSA-N 2 0 333.439 3.368 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc4c(c3)CCCC4=O)cc[nH+]2)CC1 ZINC001201667738 1369601793 /nfs/dbraw/zinc/60/17/93/1369601793.db2.gz HLPJHGKHGWWMRO-UHFFFAOYSA-N 2 0 336.439 3.096 20 0 EGADRP COc1ccc2cccnc2c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201673601 1369603352 /nfs/dbraw/zinc/60/33/52/1369603352.db2.gz YDRVWLBQAQCAMW-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP Cc1cccc(C)c1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001202205036 1369714041 /nfs/dbraw/zinc/71/40/41/1369714041.db2.gz LWYSDGKFEOEZSB-UHFFFAOYSA-N 2 0 334.508 3.041 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202764500 1369882695 /nfs/dbraw/zinc/88/26/95/1369882695.db2.gz NZKVVZCIHBKCFE-VOFKWLDRSA-N 2 0 335.536 3.186 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034273 1388043143 /nfs/dbraw/zinc/04/31/43/1388043143.db2.gz BWDUIHZZSFTYST-WOJBJXKFSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203035544 1369962065 /nfs/dbraw/zinc/96/20/65/1369962065.db2.gz CCGVXFXCJDFPON-CQQBRXBZSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203103863 1369984200 /nfs/dbraw/zinc/98/42/00/1369984200.db2.gz NFCPCSSZJJBJRH-ROUUACIJSA-N 2 0 349.563 3.312 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001203124877 1369990895 /nfs/dbraw/zinc/99/08/95/1369990895.db2.gz ZEFDIMHHBOEHBP-LEWJYISDSA-N 2 0 336.483 3.129 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1)c1ccccc1 ZINC001187035145 1388043118 /nfs/dbraw/zinc/04/31/18/1388043118.db2.gz VVGAWKHSNLJYLQ-MOPGFXCFSA-N 2 0 349.494 3.010 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203204454 1370023956 /nfs/dbraw/zinc/02/39/56/1370023956.db2.gz VGBYSHSDCPCIAE-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230699 1370032693 /nfs/dbraw/zinc/03/26/93/1370032693.db2.gz PTTXXIPYMYPTFX-MSOLQXFVSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203233062 1370034848 /nfs/dbraw/zinc/03/48/48/1370034848.db2.gz ZRGKUPRWSKOHNT-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034993 1388043475 /nfs/dbraw/zinc/04/34/75/1388043475.db2.gz RQSIWRYMFFDXOP-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH2+]CCC2CC2)CC1)c1ccccc1 ZINC001203313203 1370078547 /nfs/dbraw/zinc/07/85/47/1370078547.db2.gz OEOKVFBTOOHTEJ-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203324842 1370082461 /nfs/dbraw/zinc/08/24/61/1370082461.db2.gz JCFQZTMSKFUDRV-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCc1cccc(C[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001203407759 1370114842 /nfs/dbraw/zinc/11/48/42/1370114842.db2.gz PPNSHHCQOKWSGN-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203460299 1370134189 /nfs/dbraw/zinc/13/41/89/1370134189.db2.gz ATFVTHIJNBHCRA-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC)C12CCC2 ZINC001203506497 1370148435 /nfs/dbraw/zinc/14/84/35/1370148435.db2.gz JLMXARPXKZPCIQ-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001114920733 1370149362 /nfs/dbraw/zinc/14/93/62/1370149362.db2.gz AAMOKTNHHPRCFL-DITJFZCTSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540216 1370161951 /nfs/dbraw/zinc/16/19/51/1370161951.db2.gz UIVKDRGMWBHHTE-XOIGSVRCSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203556346 1370168188 /nfs/dbraw/zinc/16/81/88/1370168188.db2.gz LUVSQGUBJDILHH-RBUKOAKNSA-N 2 0 347.547 3.090 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203640517 1370196784 /nfs/dbraw/zinc/19/67/84/1370196784.db2.gz CURIFRAZVSLGRD-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203741168 1370244085 /nfs/dbraw/zinc/24/40/85/1370244085.db2.gz GREPXORULUVLJK-MSOLQXFVSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203769947 1370257381 /nfs/dbraw/zinc/25/73/81/1370257381.db2.gz DAGUOOWKARDKHF-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203904520 1370308402 /nfs/dbraw/zinc/30/84/02/1370308402.db2.gz ZGXUHFMFEKONAD-HCZHMGAMSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001203932269 1370319343 /nfs/dbraw/zinc/31/93/43/1370319343.db2.gz BBKUHDZEIJSBJN-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(=O)Oc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1 ZINC001203949867 1370326461 /nfs/dbraw/zinc/32/64/61/1370326461.db2.gz YBUPKAURNRSOOF-UHFFFAOYSA-N 2 0 330.472 3.166 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC001204243493 1370419963 /nfs/dbraw/zinc/41/99/63/1370419963.db2.gz VTNZLYCMFKZXDQ-DFQSSKMNSA-N 2 0 325.456 3.407 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC001204270145 1370427681 /nfs/dbraw/zinc/42/76/81/1370427681.db2.gz QFOORDYQBWPOQD-HXUWFJFHSA-N 2 0 332.488 3.020 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN2CC[N@H+](C)CC23CCCC3)cc1 ZINC001204271702 1370428326 /nfs/dbraw/zinc/42/83/26/1370428326.db2.gz CBSXGAKYIIBSKK-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115451024 1370459112 /nfs/dbraw/zinc/45/91/12/1370459112.db2.gz XROOXHVBKCDDLB-XFHJGTJQSA-N 2 0 335.536 3.236 20 0 EGADRP CCCC[N@H+](C)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001204611649 1370530076 /nfs/dbraw/zinc/53/00/76/1370530076.db2.gz ZZQVMISRCCNJLF-UHFFFAOYSA-N 2 0 340.309 3.091 20 0 EGADRP C[NH+](C)Cc1ccc(-c2ccc([C@]34CC[NH2+][C@H]3COCC4)cc2)cc1 ZINC001204631587 1370533931 /nfs/dbraw/zinc/53/39/31/1370533931.db2.gz IPSZVJJYSCPTNU-FCHUYYIVSA-N 2 0 336.479 3.435 20 0 EGADRP COc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC(C)C ZINC001204734685 1370558866 /nfs/dbraw/zinc/55/88/66/1370558866.db2.gz BKZHPSWXBROSBX-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115573222 1370576085 /nfs/dbraw/zinc/57/60/85/1370576085.db2.gz NKBWSRRILDQULO-LJQANCHMSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582023 1370584110 /nfs/dbraw/zinc/58/41/10/1370584110.db2.gz GWJOBHULMPUFRN-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115598198 1370598163 /nfs/dbraw/zinc/59/81/63/1370598163.db2.gz KMGNJXLRBYMKGU-KRWDZBQOSA-N 2 0 341.515 3.019 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115598053 1370598427 /nfs/dbraw/zinc/59/84/27/1370598427.db2.gz FWSBYCRYXXRVPN-IBGZPJMESA-N 2 0 343.515 3.080 20 0 EGADRP CCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCCC1 ZINC001115609813 1370609098 /nfs/dbraw/zinc/60/90/98/1370609098.db2.gz IVYHXSIWMZABAC-UHFFFAOYSA-N 2 0 328.460 3.075 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001205001920 1370624851 /nfs/dbraw/zinc/62/48/51/1370624851.db2.gz XQPHTYNPBOMNQK-HNNXBMFYSA-N 2 0 325.294 3.313 20 0 EGADRP CC(C)(C)C(=O)Nc1ccc(Cl)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205058803 1370639382 /nfs/dbraw/zinc/63/93/82/1370639382.db2.gz TVEFCDLTMRSLQW-UHFFFAOYSA-N 2 0 337.895 3.495 20 0 EGADRP C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2F)C[C@H]1C[NH3+] ZINC001205146124 1370663235 /nfs/dbraw/zinc/66/32/35/1370663235.db2.gz PVKUAROXFMFMCU-MAUKXSAKSA-N 2 0 328.431 3.431 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696004 1370677262 /nfs/dbraw/zinc/67/72/62/1370677262.db2.gz ANDBBSNMAQTZDU-VOTSOKGWSA-N 2 0 349.563 3.483 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccccc2Oc2ccccc2)CC1 ZINC001205220028 1370685076 /nfs/dbraw/zinc/68/50/76/1370685076.db2.gz IOFSMSZUAWNBAP-HXUWFJFHSA-N 2 0 326.440 3.155 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001205241775 1370692217 /nfs/dbraw/zinc/69/22/17/1370692217.db2.gz VPASVHOEGGGRSD-FQEVSTJZSA-N 2 0 344.430 3.294 20 0 EGADRP COc1ccc(-c2ccc(OCCC[NH+](C)C)nc2)c(C[NH+](C)C)c1 ZINC001205255627 1370697297 /nfs/dbraw/zinc/69/72/97/1370697297.db2.gz KWLCYPKJLQUPJC-UHFFFAOYSA-N 2 0 343.471 3.149 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2cc(F)c3c(c2)C[N@@H+](C)CC3)cn1 ZINC001205261549 1370698556 /nfs/dbraw/zinc/69/85/56/1370698556.db2.gz KTHAUTXYZSMYEE-UHFFFAOYSA-N 2 0 343.446 3.206 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285656 1370706381 /nfs/dbraw/zinc/70/63/81/1370706381.db2.gz ZXYHXRXZWUDUTA-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729836 1370711837 /nfs/dbraw/zinc/71/18/37/1370711837.db2.gz UTQHQRZIQLBVPC-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730977 1370714014 /nfs/dbraw/zinc/71/40/14/1370714014.db2.gz WPOIEWYMSPSWAJ-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115734455 1370717448 /nfs/dbraw/zinc/71/74/48/1370717448.db2.gz OCAMIOYTXMJNBO-BLGFXRMMSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C[C@H]1C[NH3+] ZINC001205314358 1370718592 /nfs/dbraw/zinc/71/85/92/1370718592.db2.gz BBYFETSPFDITAK-UKRRQHHQSA-N 2 0 331.410 3.444 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc3cc(Br)cnc3c2)C[C@@H]1C[NH3+] ZINC001205319351 1370720998 /nfs/dbraw/zinc/72/09/98/1370720998.db2.gz ZGMHIQSNYXOFHN-DOMZBBRYSA-N 2 0 348.288 3.414 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115760562 1370744641 /nfs/dbraw/zinc/74/46/41/1370744641.db2.gz NERYREMWWQWYEL-GOSISDBHSA-N 2 0 337.552 3.314 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001115760875 1370745177 /nfs/dbraw/zinc/74/51/77/1370745177.db2.gz WCNDTNIUZHOBBA-SFHVURJKSA-N 2 0 337.552 3.460 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420534 1370749014 /nfs/dbraw/zinc/74/90/14/1370749014.db2.gz YXDJICVBTNKORE-SFFCAUCYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461520 1370762619 /nfs/dbraw/zinc/76/26/19/1370762619.db2.gz LZEVLZLPIHFXHJ-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483598 1370769647 /nfs/dbraw/zinc/76/96/47/1370769647.db2.gz JQOWAXHFNNGULZ-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205618071 1370812426 /nfs/dbraw/zinc/81/24/26/1370812426.db2.gz RESMUMSSCSJTDA-DGCLKSJQSA-N 2 0 329.257 3.395 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616748 1370811869 /nfs/dbraw/zinc/81/18/69/1370811869.db2.gz PEDGSZNAFKXFHA-SNAWJCMRSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccc(Oc3ncccn3)c2)CC[C@H]1C[NH3+] ZINC001205618216 1370812831 /nfs/dbraw/zinc/81/28/31/1370812831.db2.gz STDUYXHXNXGFJY-RDJZCZTQSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205617853 1370812888 /nfs/dbraw/zinc/81/28/88/1370812888.db2.gz OORVKVQBBPCZDD-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Br)c1 ZINC001205629206 1370817883 /nfs/dbraw/zinc/81/78/83/1370817883.db2.gz YKMWMGHXYQANPW-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205637402 1370822061 /nfs/dbraw/zinc/82/20/61/1370822061.db2.gz GVUUDQSINJKMGT-CABCVRRESA-N 2 0 332.879 3.333 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC)c1 ZINC001205639472 1370822753 /nfs/dbraw/zinc/82/27/53/1370822753.db2.gz ZGQHMVBNGQXOQE-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2Oc2cnccn2)CC[C@H]1C[NH3+] ZINC001205651110 1370827609 /nfs/dbraw/zinc/82/76/09/1370827609.db2.gz AFUKQMZFZGHXOW-HOTGVXAUSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205653276 1370828416 /nfs/dbraw/zinc/82/84/16/1370828416.db2.gz SKIFXXRGRAMDLT-CABCVRRESA-N 2 0 332.879 3.333 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205651736 1370828770 /nfs/dbraw/zinc/82/87/70/1370828770.db2.gz ISXZKGSXXNJTHA-JKSUJKDBSA-N 2 0 331.504 3.478 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001205687974 1370843067 /nfs/dbraw/zinc/84/30/67/1370843067.db2.gz CDCHXTOLGXGOEX-HXUWFJFHSA-N 2 0 328.431 3.168 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205690729 1370843632 /nfs/dbraw/zinc/84/36/32/1370843632.db2.gz XBOFUVWIYADGLL-OAQYLSRUSA-N 2 0 342.483 3.303 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700904 1370846239 /nfs/dbraw/zinc/84/62/39/1370846239.db2.gz ZYCQMLKVCIZWAX-ARJAWSKDSA-N 2 0 340.471 3.132 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001205727456 1370853679 /nfs/dbraw/zinc/85/36/79/1370853679.db2.gz BPSGWYKVMZAQDH-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCc2ccc(Br)cc2)CCC1(F)F ZINC001205734048 1370854417 /nfs/dbraw/zinc/85/44/17/1370854417.db2.gz BVCBNELGTGLVJQ-CYBMUJFWSA-N 2 0 347.247 3.298 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205854496 1370893040 /nfs/dbraw/zinc/89/30/40/1370893040.db2.gz WTYUSEFMXRQMHL-AATRIKPKSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1C[N@H+](CCc2ccccc2Br)CCC[C@@H]1C[NH3+] ZINC001205981900 1370929433 /nfs/dbraw/zinc/92/94/33/1370929433.db2.gz IVGQUNQKLFZKIM-DZGCQCFKSA-N 2 0 325.294 3.298 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)NCc2ccco2)CC1 ZINC001116535079 1370932066 /nfs/dbraw/zinc/93/20/66/1370932066.db2.gz ZLCYJDJUFFHQRW-KRWDZBQOSA-N 2 0 349.519 3.118 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)NCc2ccco2)CC1 ZINC001116535080 1370932083 /nfs/dbraw/zinc/93/20/83/1370932083.db2.gz ZLCYJDJUFFHQRW-QGZVFWFLSA-N 2 0 349.519 3.118 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001205994419 1370932989 /nfs/dbraw/zinc/93/29/89/1370932989.db2.gz LMIJDURXCWBAJK-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccc(Oc3ncccn3)c2)CCC[C@H]1C[NH3+] ZINC001205995230 1370933028 /nfs/dbraw/zinc/93/30/28/1370933028.db2.gz NIRMDBFHPBATHH-RDJZCZTQSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@@H]1C[N@H+](Cc2sc(N3CCCC3)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003093 1370934731 /nfs/dbraw/zinc/93/47/31/1370934731.db2.gz DQADOGAACWYNFB-CHWSQXEVSA-N 2 0 342.940 3.204 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC001206013828 1370938851 /nfs/dbraw/zinc/93/88/51/1370938851.db2.gz ULFIONGZOKNMRJ-TZMCWYRMSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206027298 1370942189 /nfs/dbraw/zinc/94/21/89/1370942189.db2.gz VUWJIZUTDMVLED-CABCVRRESA-N 2 0 332.879 3.333 20 0 EGADRP C[C@@H]1C[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CCC[C@@H]1C[NH3+] ZINC001206036700 1370945010 /nfs/dbraw/zinc/94/50/10/1370945010.db2.gz OEZPGUSNDNKDDN-VXGBXAGGSA-N 2 0 340.393 3.389 20 0 EGADRP C[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCC[C@H]1C[NH3+] ZINC001206036655 1370945253 /nfs/dbraw/zinc/94/52/53/1370945253.db2.gz NGMKWUZKVATPKN-PXNSSMCTSA-N 2 0 339.483 3.467 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC001116721907 1370961577 /nfs/dbraw/zinc/96/15/77/1370961577.db2.gz XMGHWEZGPXWJTF-ICSRJNTNSA-N 2 0 341.503 3.039 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001116825310 1370981859 /nfs/dbraw/zinc/98/18/59/1370981859.db2.gz GKPCVEOYHMCBNY-WOJBJXKFSA-N 2 0 343.515 3.275 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206211738 1370994422 /nfs/dbraw/zinc/99/44/22/1370994422.db2.gz PIKDTGWYMKKVRV-ZWKOTPCHSA-N 2 0 332.419 3.118 20 0 EGADRP COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001206257739 1371006531 /nfs/dbraw/zinc/00/65/31/1371006531.db2.gz IZSWOWAQIIILRO-UHFFFAOYSA-N 2 0 326.440 3.101 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001206287891 1371013283 /nfs/dbraw/zinc/01/32/83/1371013283.db2.gz KYOVVOPLIIUDGW-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001206327416 1371023269 /nfs/dbraw/zinc/02/32/69/1371023269.db2.gz WGJQNOGLOIULLU-GOSISDBHSA-N 2 0 332.879 3.477 20 0 EGADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c2c(OC)cccc12 ZINC001206500349 1371074863 /nfs/dbraw/zinc/07/48/63/1371074863.db2.gz MPGGNBQQGLJMFX-UHFFFAOYSA-N 2 0 328.456 3.418 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]C[C@H](C)CC)CC1 ZINC001206621749 1371111155 /nfs/dbraw/zinc/11/11/55/1371111155.db2.gz FVLMRXIWUWXROK-GOSISDBHSA-N 2 0 339.568 3.373 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001206633376 1371114196 /nfs/dbraw/zinc/11/41/96/1371114196.db2.gz XAYMRAATSZGGAJ-CYBMUJFWSA-N 2 0 334.357 3.484 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001118219563 1371149223 /nfs/dbraw/zinc/14/92/23/1371149223.db2.gz ZZWIMGXCUVKPKB-OXJNMPFZSA-N 2 0 343.515 3.236 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC001206750114 1371152791 /nfs/dbraw/zinc/15/27/91/1371152791.db2.gz VSMJEKQSKMXBSM-UHFFFAOYSA-N 2 0 346.478 3.365 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118264132 1371154212 /nfs/dbraw/zinc/15/42/12/1371154212.db2.gz TXTHSCHWFKVUJV-QGZVFWFLSA-N 2 0 329.488 3.096 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2)[C@@H](n2cncn2)C1 ZINC001118493241 1371189486 /nfs/dbraw/zinc/18/94/86/1371189486.db2.gz RKSLBEVVWWNTNP-FPAYPSAMSA-N 2 0 331.508 3.004 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001206890350 1371209452 /nfs/dbraw/zinc/20/94/52/1371209452.db2.gz NFNBGEDMFDNVAG-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206948131 1371240633 /nfs/dbraw/zinc/24/06/33/1371240633.db2.gz WGOXAQIELYSMMN-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950495 1371241719 /nfs/dbraw/zinc/24/17/19/1371241719.db2.gz VFPSNTVTSJQSPF-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952288 1371242652 /nfs/dbraw/zinc/24/26/52/1371242652.db2.gz IGJBFSIMOMWZEB-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206968774 1371251876 /nfs/dbraw/zinc/25/18/76/1371251876.db2.gz YFQNIIRFLNHPHI-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP CN(C)c1ncc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC001119031301 1371266647 /nfs/dbraw/zinc/26/66/47/1371266647.db2.gz LAIWCLHUOFDAMS-RHSMWYFYSA-N 2 0 336.549 3.329 20 0 EGADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001119090632 1371275542 /nfs/dbraw/zinc/27/55/42/1371275542.db2.gz IGMXVZXZUAMIDM-HNAYVOBHSA-N 2 0 339.483 3.294 20 0 EGADRP Clc1ccc([C@@H]2C[C@H]2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001207189758 1371324746 /nfs/dbraw/zinc/32/47/46/1371324746.db2.gz DWVWALHIPRCZQE-ICSRJNTNSA-N 2 0 347.934 3.157 20 0 EGADRP C[N@@H+]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C2(CCCC2)C1 ZINC001207295375 1371354529 /nfs/dbraw/zinc/35/45/29/1371354529.db2.gz OFQWVPXXDQXVOP-UHFFFAOYSA-N 2 0 341.543 3.459 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326201831 1388127013 /nfs/dbraw/zinc/12/70/13/1388127013.db2.gz KLTLSFANEAOECQ-UHFFFAOYSA-N 2 0 346.425 3.321 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)CC1 ZINC001207397176 1371384438 /nfs/dbraw/zinc/38/44/38/1371384438.db2.gz FKXLHXFELHVODW-FCHUYYIVSA-N 2 0 342.527 3.440 20 0 EGADRP C[NH+]1CCC(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001207399569 1371384676 /nfs/dbraw/zinc/38/46/76/1371384676.db2.gz MYWDNPRDCQQCSO-NRFANRHFSA-N 2 0 327.516 3.023 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001207399860 1371384781 /nfs/dbraw/zinc/38/47/81/1371384781.db2.gz XCPPLYSHYGMPCP-OAQYLSRUSA-N 2 0 327.516 3.069 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)CC1 ZINC001207482884 1371409726 /nfs/dbraw/zinc/40/97/26/1371409726.db2.gz HHELUSUPYDZWAJ-UHFFFAOYSA-N 2 0 341.499 3.094 20 0 EGADRP COC[C@@H](C)[N@H+](CCC1CC[NH+](C)CC1)Cc1cccc(OC)c1 ZINC001207486928 1371410856 /nfs/dbraw/zinc/41/08/56/1371410856.db2.gz OXWFXUHFDJRXKU-QGZVFWFLSA-N 2 0 334.504 3.264 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001207488622 1371411949 /nfs/dbraw/zinc/41/19/49/1371411949.db2.gz MZYHHXYSSYPVBJ-HOTGVXAUSA-N 2 0 339.524 3.048 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540728 1371430552 /nfs/dbraw/zinc/43/05/52/1371430552.db2.gz BQOIUXLCRFGMFS-PIMGTZPVSA-N 2 0 347.547 3.186 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(CCCc2ccc(OC)cc2)CC1 ZINC001207582695 1371442656 /nfs/dbraw/zinc/44/26/56/1371442656.db2.gz PBSXLLHDISWPLO-HXUWFJFHSA-N 2 0 346.515 3.203 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)C[C@@H]2C1 ZINC001119990326 1371444550 /nfs/dbraw/zinc/44/45/50/1371444550.db2.gz VQBKYNOUPZPZPC-YQQAZPJKSA-N 2 0 342.512 3.367 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001120005768 1371452229 /nfs/dbraw/zinc/45/22/29/1371452229.db2.gz WOMGEYYQMSQWQQ-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](CCCCc2ccccc2)CC1 ZINC001207616739 1371453270 /nfs/dbraw/zinc/45/32/70/1371453270.db2.gz JNOVNWLTQIDCIM-UHFFFAOYSA-N 2 0 331.548 3.359 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001120009719 1371453282 /nfs/dbraw/zinc/45/32/82/1371453282.db2.gz DGVGEQVOONNQKX-LJQANCHMSA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)c2c[nH+]ccc2N(C)C)CCCCC1 ZINC001120020713 1371458473 /nfs/dbraw/zinc/45/84/73/1371458473.db2.gz GMXTWEPESUXDMS-UHFFFAOYSA-N 2 0 344.503 3.136 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001120045987 1371467068 /nfs/dbraw/zinc/46/70/68/1371467068.db2.gz LJWSZAWUOHHQAI-CEXWTWQISA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001120207796 1371504488 /nfs/dbraw/zinc/50/44/88/1371504488.db2.gz GHRFIJMLLNEBAW-IAGOWNOFSA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431262 1371573583 /nfs/dbraw/zinc/57/35/83/1371573583.db2.gz QXJPJPJTTGSAHV-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208049476 1371580424 /nfs/dbraw/zinc/58/04/24/1371580424.db2.gz NWVQFPKIAXIKQV-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049742 1371580619 /nfs/dbraw/zinc/58/06/19/1371580619.db2.gz QMMJIQYQKZQLFO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)CC1 ZINC001208106674 1371596797 /nfs/dbraw/zinc/59/67/97/1371596797.db2.gz JLUZUSJFSAPQQD-UHFFFAOYSA-N 2 0 341.499 3.094 20 0 EGADRP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001208110332 1371597436 /nfs/dbraw/zinc/59/74/36/1371597436.db2.gz YLVVVEGOVOMPGA-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP CC[N@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208110328 1371598041 /nfs/dbraw/zinc/59/80/41/1371598041.db2.gz YKDDQIRAVWBPCD-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)CCCC1 ZINC001208192298 1371630138 /nfs/dbraw/zinc/63/01/38/1371630138.db2.gz SVTAHFKEEZGXMF-UHFFFAOYSA-N 2 0 342.483 3.270 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001208448087 1371769648 /nfs/dbraw/zinc/76/96/48/1371769648.db2.gz VBTZWMXYCRXKHW-MJGOQNOKSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575252 1371823722 /nfs/dbraw/zinc/82/37/22/1371823722.db2.gz LXYNAOJEFHMVEL-RLLQIKCJSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1C[C@@H]2CCCN(C[C@H]3CCCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC001208588920 1371829713 /nfs/dbraw/zinc/82/97/13/1371829713.db2.gz MXYOKCLZDZDZOC-PWRODBHTSA-N 2 0 327.516 3.067 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001208595227 1371833703 /nfs/dbraw/zinc/83/37/03/1371833703.db2.gz SMWVDFUIANVDSM-IBGZPJMESA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+]1CCC(C[N@H+](Cc2ccccc2)[C@@H](C)CC(=O)OC)CC1 ZINC001208601613 1371836043 /nfs/dbraw/zinc/83/60/43/1371836043.db2.gz NVJJWDVKBUKJIK-KRWDZBQOSA-N 2 0 332.488 3.172 20 0 EGADRP Cc1cc(N2CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC001208606453 1371838486 /nfs/dbraw/zinc/83/84/86/1371838486.db2.gz GFZAXSIKBOLXDW-SFHVURJKSA-N 2 0 338.499 3.007 20 0 EGADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@H](C)CC(C)(C)C)CC[C@@H]2C1 ZINC001208658796 1371853353 /nfs/dbraw/zinc/85/33/53/1371853353.db2.gz BWEYXYUWWDIFPZ-IPMKNSEASA-N 2 0 340.552 3.118 20 0 EGADRP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001208692735 1371863472 /nfs/dbraw/zinc/86/34/72/1371863472.db2.gz CWQVTGMVUWAHHL-GOSISDBHSA-N 2 0 336.520 3.306 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208748268 1371882986 /nfs/dbraw/zinc/88/29/86/1371882986.db2.gz HGHBYBXELORQBE-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208749716 1371883434 /nfs/dbraw/zinc/88/34/34/1371883434.db2.gz VETCHGIZAVBGKR-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208758915 1371885892 /nfs/dbraw/zinc/88/58/92/1371885892.db2.gz OATVPJJSEZLLQA-GOSISDBHSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@H](CCC(=O)OC)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208795796 1371899516 /nfs/dbraw/zinc/89/95/16/1371899516.db2.gz GMARRRHUMVGLQO-QUCCMNQESA-N 2 0 346.515 3.420 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2)[NH+](C)C ZINC001121268087 1371916472 /nfs/dbraw/zinc/91/64/72/1371916472.db2.gz ZGJOUFAECNGJFQ-FCOWATRHSA-N 2 0 347.547 3.090 20 0 EGADRP OCC[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208930432 1371949851 /nfs/dbraw/zinc/94/98/51/1371949851.db2.gz BDOAMVITXDWGHB-NHCUHLMSSA-N 2 0 342.527 3.383 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@@H](COCC4CC4)C3)C2)cc1 ZINC001208951294 1371960176 /nfs/dbraw/zinc/96/01/76/1371960176.db2.gz BKYPOFAZJGACNS-NHCUHLMSSA-N 2 0 328.500 3.257 20 0 EGADRP Cc1nnc([C@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001208955804 1371962437 /nfs/dbraw/zinc/96/24/37/1371962437.db2.gz FRIUCPDKLDMDHW-OALUTQOASA-N 2 0 340.471 3.080 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142162 1372012474 /nfs/dbraw/zinc/01/24/74/1372012474.db2.gz GJPZXARBMNGIFP-GUDVDZBRSA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121663589 1372039529 /nfs/dbraw/zinc/03/95/29/1372039529.db2.gz OLSRYZWSSHSDRK-SREVYHEPSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H]3CN(CCOc4ccccc4)C[C@H]3C2)cc1 ZINC001209296910 1372062248 /nfs/dbraw/zinc/06/22/48/1372062248.db2.gz LHKBMZLIWKCCEH-OYRHEFFESA-N 2 0 336.479 3.438 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CCCC4OCCO4)C3)CC2)cc1 ZINC001209313985 1372065671 /nfs/dbraw/zinc/06/56/71/1372065671.db2.gz ZEOWDACFULVGIU-UHFFFAOYSA-N 2 0 344.499 3.128 20 0 EGADRP C[C@@H]1CC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)O1 ZINC001209392281 1372088623 /nfs/dbraw/zinc/08/86/23/1372088623.db2.gz YOXAFBWYMJXNIR-DGQTTZFYSA-N 2 0 328.500 3.254 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(CC[NH3+])cc1)c1ccccc1 ZINC001121921328 1372123627 /nfs/dbraw/zinc/12/36/27/1372123627.db2.gz OPBVBOURSHRSEK-INIZCTEOSA-N 2 0 339.483 3.047 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCF)C[C@H]1C ZINC001209565645 1372137960 /nfs/dbraw/zinc/13/79/60/1372137960.db2.gz GEPJWUUNUBNIQR-QZTJIDSGSA-N 2 0 343.531 3.075 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C)C(C)C ZINC001209586268 1372143615 /nfs/dbraw/zinc/14/36/15/1372143615.db2.gz ZIXLNSKRQPICOY-GUDVDZBRSA-N 2 0 339.568 3.226 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1)[NH+](CC)CC ZINC001209614140 1372151327 /nfs/dbraw/zinc/15/13/27/1372151327.db2.gz NLCRPGDHQUNKML-RBUKOAKNSA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1)[NH+](CC)CC ZINC001209614138 1372151655 /nfs/dbraw/zinc/15/16/55/1372151655.db2.gz NLCRPGDHQUNKML-OALUTQOASA-N 2 0 349.494 3.027 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122093514 1372172929 /nfs/dbraw/zinc/17/29/29/1372172929.db2.gz FGPRRKHMTFXVIO-SREVYHEPSA-N 2 0 349.563 3.482 20 0 EGADRP Cn1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c2cccnc21 ZINC001209748342 1372182647 /nfs/dbraw/zinc/18/26/47/1372182647.db2.gz FVRQGQFFUWDQJX-UHFFFAOYSA-N 2 0 326.488 3.127 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122242998 1372209957 /nfs/dbraw/zinc/20/99/57/1372209957.db2.gz VAPIQJGAPOZNLZ-ONEGZZNKSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001122285492 1372221732 /nfs/dbraw/zinc/22/17/32/1372221732.db2.gz XSVZAPGXODAMJN-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001209951483 1372240157 /nfs/dbraw/zinc/24/01/57/1372240157.db2.gz LNAMVVLFLHZEFK-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP c1cncc(OCC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC001210029011 1372258731 /nfs/dbraw/zinc/25/87/31/1372258731.db2.gz PVGHRCALPZKIPS-UHFFFAOYSA-N 2 0 337.467 3.018 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921798 1388190107 /nfs/dbraw/zinc/19/01/07/1388190107.db2.gz YBVPLJLNAZSLTL-PHWHVTFISA-N 2 0 335.536 3.189 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)C(C)C ZINC001210189683 1372291188 /nfs/dbraw/zinc/29/11/88/1372291188.db2.gz LTUWPSKUUZLQFX-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210217908 1372296108 /nfs/dbraw/zinc/29/61/08/1372296108.db2.gz OAIHVPLLGUXJIC-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP Cc1cccc(Br)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266224 1372310300 /nfs/dbraw/zinc/31/03/00/1372310300.db2.gz HVISQFHZNRHUST-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP Fc1ccc(C(F)(F)F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210267167 1372310587 /nfs/dbraw/zinc/31/05/87/1372310587.db2.gz VVFDCRFWWWKWOX-UHFFFAOYSA-N 2 0 340.324 3.393 20 0 EGADRP c1ccc(-c2ccccc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)nc1 ZINC001210268836 1372311480 /nfs/dbraw/zinc/31/14/80/1372311480.db2.gz JZHBXQIGJCAMOB-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210411569 1372345551 /nfs/dbraw/zinc/34/55/51/1372345551.db2.gz HRIKANGSKYXINM-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921808 1388190294 /nfs/dbraw/zinc/19/02/94/1388190294.db2.gz ZDSVNZPSJPYERI-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(n2cc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)cn2)CC1 ZINC001210706868 1372410818 /nfs/dbraw/zinc/41/08/18/1372410818.db2.gz QZOOPXCTLUXJRI-GOSISDBHSA-N 2 0 329.492 3.094 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001210782287 1372425436 /nfs/dbraw/zinc/42/54/36/1372425436.db2.gz KIFLUKBSFHNDOV-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211240160 1372509347 /nfs/dbraw/zinc/50/93/47/1372509347.db2.gz GGQLYTBCKCJKEB-KKHYBRAUSA-N 2 0 343.515 3.299 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001211257933 1372514358 /nfs/dbraw/zinc/51/43/58/1372514358.db2.gz XLCDCFVCRDKZBY-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262045 1372515099 /nfs/dbraw/zinc/51/50/99/1372515099.db2.gz KTMUTXBYFAWFRL-ASIGSXEYSA-N 2 0 335.536 3.044 20 0 EGADRP COc1c[nH+]ccc1Nc1ccc(OCC2CC[NH+](C)CC2)c(F)c1 ZINC001211265136 1372516280 /nfs/dbraw/zinc/51/62/80/1372516280.db2.gz NXKXBFBPEIDLTC-UHFFFAOYSA-N 2 0 345.418 3.115 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211375880 1372543966 /nfs/dbraw/zinc/54/39/66/1372543966.db2.gz CKDOYOPDRLKCAD-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccc(-c2ccccc2-c2noc(CC3([NH3+])CC[NH2+]CC3)n2)cc1 ZINC001212169273 1372666886 /nfs/dbraw/zinc/66/68/86/1372666886.db2.gz YEBAVSNANRUFTM-UHFFFAOYSA-N 2 0 348.450 3.335 20 0 EGADRP C[NH+]1CCN(c2cccnc2Nc2cc[nH+]c(C(C)(C)C)c2)CC1 ZINC001213164188 1372851991 /nfs/dbraw/zinc/85/19/91/1372851991.db2.gz KQAIZERLMSJSHM-UHFFFAOYSA-N 2 0 325.460 3.270 20 0 EGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[NH2+]C(C)(C)C ZINC001125872244 1372877834 /nfs/dbraw/zinc/87/78/34/1372877834.db2.gz NOZBXCBFYKXCPE-UHFFFAOYSA-N 2 0 339.911 3.008 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001127327167 1373116048 /nfs/dbraw/zinc/11/60/48/1373116048.db2.gz HLIIUBCHVTXRJJ-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC001127344137 1373117560 /nfs/dbraw/zinc/11/75/60/1373117560.db2.gz GKRCCOBUDGDRET-PKOBYXMFSA-N 2 0 343.515 3.108 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214780213 1373118084 /nfs/dbraw/zinc/11/80/84/1373118084.db2.gz PONULPJAKVCGDO-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001214855489 1373130076 /nfs/dbraw/zinc/13/00/76/1373130076.db2.gz DDFDCORNRLYQJL-FGTMMUONSA-N 2 0 337.552 3.122 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001215019699 1373157279 /nfs/dbraw/zinc/15/72/79/1373157279.db2.gz CNNSFYDFLGIEGV-WIDBLJPWSA-N 2 0 349.563 3.432 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216323590 1373300142 /nfs/dbraw/zinc/30/01/42/1373300142.db2.gz HTIVYOAZRCZTQO-GUCYOMCDSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844445 1373349737 /nfs/dbraw/zinc/34/97/37/1373349737.db2.gz BYFICKGLSRARTA-MOZIWPGPSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3cccc4c3C[NH2+]CC4)n2)cc1 ZINC001217191888 1373403053 /nfs/dbraw/zinc/40/30/53/1373403053.db2.gz VQCOOHOECXDQRL-UHFFFAOYSA-N 2 0 334.423 3.111 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001217756643 1373498752 /nfs/dbraw/zinc/49/87/52/1373498752.db2.gz YIETUPNYJDVVJV-AWEZNQCLSA-N 2 0 328.338 3.058 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC)c1ccc(Cl)cc1 ZINC001130427135 1373534159 /nfs/dbraw/zinc/53/41/59/1373534159.db2.gz JXCFUYVNCUYZCZ-INIZCTEOSA-N 2 0 339.911 3.227 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001218042904 1373546768 /nfs/dbraw/zinc/54/67/68/1373546768.db2.gz ABJNQMALEZCYHU-JLTOFOAXSA-N 2 0 327.472 3.354 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CC[C@]45CC[NH2+]C5)cc32)CC1 ZINC001218120136 1373565092 /nfs/dbraw/zinc/56/50/92/1373565092.db2.gz UBZSJAKPCNGRKC-LEWJYISDSA-N 2 0 339.483 3.498 20 0 EGADRP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2CC[NH2+]C2)cc13 ZINC001218183228 1373574423 /nfs/dbraw/zinc/57/44/23/1373574423.db2.gz NIKBSYJITFAZCA-UYWIDEMCSA-N 2 0 326.484 3.116 20 0 EGADRP CC[NH+](CC)C[C@@H](C)Oc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC001218192411 1373575932 /nfs/dbraw/zinc/57/59/32/1373575932.db2.gz IBHDPODRQVXMOW-CQSZACIVSA-N 2 0 348.466 3.209 20 0 EGADRP c1cnc2c(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218326442 1373597129 /nfs/dbraw/zinc/59/71/29/1373597129.db2.gz PHBLVLLEVQEXAQ-YVWKXTFCSA-N 2 0 337.467 3.207 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001131794274 1373808871 /nfs/dbraw/zinc/80/88/71/1373808871.db2.gz QIMISUOZSAMKIL-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC2CCC3(CC3)CC2)CCCCC1 ZINC001131799341 1373809970 /nfs/dbraw/zinc/80/99/70/1373809970.db2.gz NRXZDYUKAHXHDM-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP c1ncn(-c2cccc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2)n1 ZINC001222173323 1373818541 /nfs/dbraw/zinc/81/85/41/1373818541.db2.gz TUUWKNMKCNXGNZ-HXUWFJFHSA-N 2 0 339.487 3.013 20 0 EGADRP c1cc(Oc2ccccc2)c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)s1 ZINC001222208041 1373821323 /nfs/dbraw/zinc/82/13/23/1373821323.db2.gz JGDJYWKMXDVEHZ-UHFFFAOYSA-N 2 0 344.480 3.495 20 0 EGADRP Fc1c(Cl)cc(Cl)cc1CN1CCOCC2(CC[NH2+]CC2)C1 ZINC001222415225 1373841564 /nfs/dbraw/zinc/84/15/64/1373841564.db2.gz TVYOCUNZNZQRGP-UHFFFAOYSA-N 2 0 347.261 3.335 20 0 EGADRP CC[N@@H+]1CC[C@H](OC[C@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152548 1375096119 /nfs/dbraw/zinc/09/61/19/1375096119.db2.gz VJZVEVKCFGDCNV-FPOVZHCZSA-N 2 0 346.515 3.167 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001225244725 1375099462 /nfs/dbraw/zinc/09/94/62/1375099462.db2.gz MCMOHROTQGQVQV-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001225542121 1375122440 /nfs/dbraw/zinc/12/24/40/1375122440.db2.gz IGBZOOTZFDPQIR-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225653108 1375139368 /nfs/dbraw/zinc/13/93/68/1375139368.db2.gz RHJQPXCQGVELKV-ONEGZZNKSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1CCCCC1 ZINC001132105200 1375150596 /nfs/dbraw/zinc/15/05/96/1375150596.db2.gz CLLNQTIJBLRRKQ-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC(C)(C)C ZINC001132105033 1375150657 /nfs/dbraw/zinc/15/06/57/1375150657.db2.gz AIOGSGXEAVBFFR-IRXDYDNUSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC1CCC1 ZINC001132107478 1375151087 /nfs/dbraw/zinc/15/10/87/1375151087.db2.gz ZGLKVHPCQMKCRS-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132157657 1375176380 /nfs/dbraw/zinc/17/63/80/1375176380.db2.gz RVXQZPOLATXALT-SJLPKXTDSA-N 2 0 342.487 3.497 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CC1CCC1 ZINC001132210318 1375211820 /nfs/dbraw/zinc/21/18/20/1375211820.db2.gz GGOHFNHWYUGFAV-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212364 1375212187 /nfs/dbraw/zinc/21/21/87/1375212187.db2.gz XFJDQYQDOQBGAG-ROUUACIJSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCC1CCCCC1 ZINC001132265499 1375254209 /nfs/dbraw/zinc/25/42/09/1375254209.db2.gz NVNDZWXHUDUGTI-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCC1=CCCCC1 ZINC001132268710 1375256158 /nfs/dbraw/zinc/25/61/58/1375256158.db2.gz AWLIFOIUIZMTDN-HKUYNNGSSA-N 2 0 335.536 3.188 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132270262 1375257283 /nfs/dbraw/zinc/25/72/83/1375257283.db2.gz RNYUZMJCJOANFG-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132339889 1375317907 /nfs/dbraw/zinc/31/79/07/1375317907.db2.gz KZPNEVLAILHFDR-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)CCC1 ZINC001226782695 1375333898 /nfs/dbraw/zinc/33/38/98/1375333898.db2.gz QKBXFUSZLXROMO-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132376723 1375339405 /nfs/dbraw/zinc/33/94/05/1375339405.db2.gz PUKHENZMYFKYLN-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132432269 1375377520 /nfs/dbraw/zinc/37/75/20/1375377520.db2.gz BMHZZWPAPBXUAV-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434517 1375378567 /nfs/dbraw/zinc/37/85/67/1375378567.db2.gz YADLMRFDKROBSB-SJLPKXTDSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccc(F)cc1 ZINC001132433237 1375378579 /nfs/dbraw/zinc/37/85/79/1375378579.db2.gz LHTXEPURBNGYKC-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132437146 1375382623 /nfs/dbraw/zinc/38/26/23/1375382623.db2.gz QROSXRGVJUZGOO-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132442034 1375386115 /nfs/dbraw/zinc/38/61/15/1375386115.db2.gz VWPHVFJFRZVWDA-HKUYNNGSSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)C1CC1 ZINC001227159072 1375400013 /nfs/dbraw/zinc/40/00/13/1375400013.db2.gz BSANCMUPFIYDSD-HNNXBMFYSA-N 3 0 333.520 3.049 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132494658 1375424104 /nfs/dbraw/zinc/42/41/04/1375424104.db2.gz VSLXUCIUOSIOHB-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521234 1375438561 /nfs/dbraw/zinc/43/85/61/1375438561.db2.gz ABRPLADUWGUCGW-FXAWDEMLSA-N 2 0 345.531 3.058 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132525491 1375441684 /nfs/dbraw/zinc/44/16/84/1375441684.db2.gz SMQZFBBKHZTEFE-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)C1CCCCC1 ZINC001227727703 1375466544 /nfs/dbraw/zinc/46/65/44/1375466544.db2.gz HPVGAQLSPQCIDN-WOJBJXKFSA-N 2 0 349.563 3.458 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227792782 1375475880 /nfs/dbraw/zinc/47/58/80/1375475880.db2.gz VPLLKXPAHNPNJY-VOFKWLDRSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227877434 1375485961 /nfs/dbraw/zinc/48/59/61/1375485961.db2.gz ROQJSSABHQAQMC-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001227876249 1375486218 /nfs/dbraw/zinc/48/62/18/1375486218.db2.gz GATXTSPYTQBSRV-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254789 1375534666 /nfs/dbraw/zinc/53/46/66/1375534666.db2.gz IWSCOITYGQPKAC-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001132739564 1375539470 /nfs/dbraw/zinc/53/94/70/1375539470.db2.gz RVVXSKNLOCZZAG-PKOBYXMFSA-N 2 0 349.494 3.105 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365976 1375558594 /nfs/dbraw/zinc/55/85/94/1375558594.db2.gz KVIDAIXGVGYCEM-BHIYHBOVSA-N 2 0 331.504 3.025 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)[NH+](CC)CC ZINC001228558783 1375597348 /nfs/dbraw/zinc/59/73/48/1375597348.db2.gz DUELJQYRFBGVSX-AQNXPRMDSA-N 2 0 345.531 3.324 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132951287 1375667396 /nfs/dbraw/zinc/66/73/96/1375667396.db2.gz YORGHQUQADLZAS-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950914 1375667594 /nfs/dbraw/zinc/66/75/94/1375667594.db2.gz RTIFAEYPPUKIRM-XOIGSVRCSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)c1cccc(Cl)c1 ZINC001132983913 1375693621 /nfs/dbraw/zinc/69/36/21/1375693621.db2.gz PRJNZLRKBHYOPE-CYBMUJFWSA-N 2 0 349.862 3.075 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001229458271 1375839562 /nfs/dbraw/zinc/83/95/62/1375839562.db2.gz HAFAOOXKHFIILN-BGEOSOQGSA-N 2 0 349.563 3.480 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001229463058 1375840462 /nfs/dbraw/zinc/84/04/62/1375840462.db2.gz XKNPCGHOUYMWDY-WRFKIARRSA-N 2 0 335.536 3.188 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[N@@H+](C)CC)cc1 ZINC001229524025 1375850978 /nfs/dbraw/zinc/85/09/78/1375850978.db2.gz MEQJKZMIYJVLSQ-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001229616154 1375865740 /nfs/dbraw/zinc/86/57/40/1375865740.db2.gz YUJKWVBQZJZFRU-GUDVDZBRSA-N 2 0 337.552 3.458 20 0 EGADRP C[C@H](c1cccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c1)[NH+](C)C ZINC001229623019 1375867478 /nfs/dbraw/zinc/86/74/78/1375867478.db2.gz RHWHDWHZODVPJN-QRQLOZEOSA-N 2 0 332.488 3.331 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)C(C)C ZINC001229655494 1375872689 /nfs/dbraw/zinc/87/26/89/1375872689.db2.gz JQBZFGYCBKZZHW-SFHVURJKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001229664896 1375873677 /nfs/dbraw/zinc/87/36/77/1375873677.db2.gz WZBUIOHLFKGKIH-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133261440 1375877376 /nfs/dbraw/zinc/87/73/76/1375877376.db2.gz AOBRJIQZYCGUCF-RBUKOAKNSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC001133281807 1375893952 /nfs/dbraw/zinc/89/39/52/1375893952.db2.gz NIFUFCMNVUZIPH-MRXNPFEDSA-N 2 0 345.531 3.093 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+](C)C)cc1 ZINC001229808152 1375897014 /nfs/dbraw/zinc/89/70/14/1375897014.db2.gz NKTPMIPNGOWGGS-WOJBJXKFSA-N 2 0 345.531 3.244 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC001229808767 1375897112 /nfs/dbraw/zinc/89/71/12/1375897112.db2.gz YWRURXJEAFEACC-RTBURBONSA-N 2 0 349.494 3.075 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC001229859862 1375905726 /nfs/dbraw/zinc/90/57/26/1375905726.db2.gz GCTRJCFKTJMROF-DFQSSKMNSA-N 2 0 345.531 3.415 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCCC(C)C)C[C@H]32)C1 ZINC001188917032 1388408573 /nfs/dbraw/zinc/40/85/73/1388408573.db2.gz AIFSIQGDHWKVBC-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133336724 1375929728 /nfs/dbraw/zinc/92/97/28/1375929728.db2.gz DNKSCYMSIDQFRP-IKLBINMZSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001133334438 1375930176 /nfs/dbraw/zinc/93/01/76/1375930176.db2.gz XJKQXXBSRRUVSC-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230016628 1375931390 /nfs/dbraw/zinc/93/13/90/1375931390.db2.gz QRGIXAXEFOCXRJ-XLIONFOSSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001230107736 1375944769 /nfs/dbraw/zinc/94/47/69/1375944769.db2.gz VXGNKEAACJBYPN-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001230274636 1375980585 /nfs/dbraw/zinc/98/05/85/1375980585.db2.gz DETJNGXMAPDYNN-AXTJNSDUSA-N 2 0 335.536 3.234 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001230284408 1375983881 /nfs/dbraw/zinc/98/38/81/1375983881.db2.gz CUYRKVWLZORZRH-DFQSSKMNSA-N 2 0 345.531 3.413 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610477 1376098937 /nfs/dbraw/zinc/09/89/37/1376098937.db2.gz BZEBFSDTGWJYPK-WHXUGTBJSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](CC)CC ZINC001133689648 1376157496 /nfs/dbraw/zinc/15/74/96/1376157496.db2.gz AXBNCKOUVROZTC-RHSMWYFYSA-N 2 0 339.911 3.227 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1cccc2ccccc21 ZINC001133834480 1376224170 /nfs/dbraw/zinc/22/41/70/1376224170.db2.gz YZIZELWXHDRYOP-IRXDYDNUSA-N 2 0 339.483 3.091 20 0 EGADRP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001232012513 1376383033 /nfs/dbraw/zinc/38/30/33/1376383033.db2.gz JPRSDKAZLCZTFP-RHSMWYFYSA-N 2 0 342.443 3.004 20 0 EGADRP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019186 1376385431 /nfs/dbraw/zinc/38/54/31/1376385431.db2.gz XMNMFTBYLIZHJE-XJKSGUPXSA-N 2 0 344.459 3.441 20 0 EGADRP COc1cccnc1O[C@@H]1CCCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018923 1376386248 /nfs/dbraw/zinc/38/62/48/1376386248.db2.gz QZGSBUOYBBRPLJ-MRXNPFEDSA-N 2 0 338.411 3.010 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001232145815 1376408412 /nfs/dbraw/zinc/40/84/12/1376408412.db2.gz BIXTXCJTYZAGGB-FQEVSTJZSA-N 2 0 327.447 3.489 20 0 EGADRP CCOc1ncc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1C ZINC001232305194 1376435627 /nfs/dbraw/zinc/43/56/27/1376435627.db2.gz CFDZXBKOTWUVJU-UHFFFAOYSA-N 2 0 331.504 3.343 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584700 1376607980 /nfs/dbraw/zinc/60/79/80/1376607980.db2.gz WGHYDIMFWBREJX-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728954 1376682492 /nfs/dbraw/zinc/68/24/92/1376682492.db2.gz DXFOOKSBXBPGJX-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001134762988 1376707701 /nfs/dbraw/zinc/70/77/01/1376707701.db2.gz JTPOEEJYDQUPCG-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001134772861 1376712230 /nfs/dbraw/zinc/71/22/30/1376712230.db2.gz ILRNTIYIINLNGH-MSOLQXFVSA-N 2 0 347.547 3.407 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21)[NH+](CC)CC ZINC001189111160 1388461438 /nfs/dbraw/zinc/46/14/38/1388461438.db2.gz WKZGBZNPEPAYHI-IPMKNSEASA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892885 1376772637 /nfs/dbraw/zinc/77/26/37/1376772637.db2.gz QLROYQZPXGEJFH-HOTGVXAUSA-N 2 0 342.487 3.401 20 0 EGADRP Brc1ccoc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427726 1376869609 /nfs/dbraw/zinc/86/96/09/1376869609.db2.gz NAUSVEUGKKBDMH-OLZOCXBDSA-N 2 0 327.266 3.254 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC001235429760 1376870113 /nfs/dbraw/zinc/87/01/13/1376870113.db2.gz ZLHRXOFMJYBFMS-IRXDYDNUSA-N 2 0 347.503 3.020 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1)[NH+](C)C ZINC001235589836 1376876737 /nfs/dbraw/zinc/87/67/37/1376876737.db2.gz VBJYRXSTRIIWKF-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP Cc1nccn1-c1ccccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702923 1376884216 /nfs/dbraw/zinc/88/42/16/1376884216.db2.gz XDGJRVYKIJFUIO-UHFFFAOYSA-N 2 0 338.499 3.392 20 0 EGADRP CCOC(=O)Cc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001235702410 1376885189 /nfs/dbraw/zinc/88/51/89/1376885189.db2.gz KABWNIPBOMHGHS-UHFFFAOYSA-N 2 0 344.499 3.004 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135100698 1376898414 /nfs/dbraw/zinc/89/84/14/1376898414.db2.gz GERCETCTBIWMDH-ROUUACIJSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)(C)c1ccc(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC001235847634 1376901098 /nfs/dbraw/zinc/90/10/98/1376901098.db2.gz KTTYGRQBBODQHN-UHFFFAOYSA-N 2 0 343.559 3.491 20 0 EGADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(-c4cccs4)s3)C2)C1 ZINC001236074286 1376931419 /nfs/dbraw/zinc/93/14/19/1376931419.db2.gz WTTNNMLTVYLQEG-CQSZACIVSA-N 2 0 333.526 3.084 20 0 EGADRP [NH3+]C1CCC([N@H+](Cc2ccccc2)Cc2ccc3nonc3c2)CC1 ZINC001236227947 1376943400 /nfs/dbraw/zinc/94/34/00/1376943400.db2.gz PCACJESIJOIQOI-UHFFFAOYSA-N 2 0 336.439 3.495 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[NH2+]C[C@H]3C(F)(F)F)cc21 ZINC001236981313 1376969240 /nfs/dbraw/zinc/96/92/40/1376969240.db2.gz MYAZYFRWHLBOQW-INIZCTEOSA-N 2 0 339.405 3.024 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2ccnc3[nH]cc(C[NH+](C)C)c32)cc1 ZINC001242152625 1377023032 /nfs/dbraw/zinc/02/30/32/1377023032.db2.gz MRMXVKXEABOTJL-UHFFFAOYSA-N 2 0 338.455 3.184 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001135298171 1377026422 /nfs/dbraw/zinc/02/64/22/1377026422.db2.gz LFVDESIKVHYJBM-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)c1occc1C[NH+](C)C ZINC001135308041 1377029445 /nfs/dbraw/zinc/02/94/45/1377029445.db2.gz NEAMRAQZWCXSDB-HZPDHXFCSA-N 2 0 343.471 3.028 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001135314411 1377033286 /nfs/dbraw/zinc/03/32/86/1377033286.db2.gz AJYJTNIBMRAVFT-CVEARBPZSA-N 2 0 345.487 3.148 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC1CCCCCC1 ZINC001135316326 1377034463 /nfs/dbraw/zinc/03/44/63/1377034463.db2.gz UEVNTMHPADTNRU-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246293491 1377051145 /nfs/dbraw/zinc/05/11/45/1377051145.db2.gz ROAABCKJEXSNLF-WSTZPKSXSA-N 2 0 330.472 3.193 20 0 EGADRP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246724976 1377053335 /nfs/dbraw/zinc/05/33/35/1377053335.db2.gz NOKDUCAJICKCRR-BNDYYXHWSA-N 2 0 343.515 3.339 20 0 EGADRP C[C@@H]1C[C@H](N2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755217 1377054137 /nfs/dbraw/zinc/05/41/37/1377054137.db2.gz HSXINISIGMDDPD-IAGOWNOFSA-N 2 0 333.545 3.177 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CC[NH+](C)C ZINC001135371923 1377059618 /nfs/dbraw/zinc/05/96/18/1377059618.db2.gz KNQFCTQZJROTOE-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372532 1377060219 /nfs/dbraw/zinc/06/02/19/1377060219.db2.gz RAJSNRFLKBCHRE-SJORKVTESA-N 2 0 333.520 3.135 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135374970 1377060979 /nfs/dbraw/zinc/06/09/79/1377060979.db2.gz HQGPDFYENPCTDS-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]1CC[NH2+][C@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)C1 ZINC001247795695 1377064383 /nfs/dbraw/zinc/06/43/83/1377064383.db2.gz GVAUODLZXUIOPP-CMIZMYSDSA-N 2 0 339.443 3.259 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135392014 1377070499 /nfs/dbraw/zinc/07/04/99/1377070499.db2.gz WQYDJIVTEGIKMC-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP O[C@]1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC001252933186 1377093615 /nfs/dbraw/zinc/09/36/15/1377093615.db2.gz FHARKZZLZBGGDR-NJYVYQBISA-N 2 0 328.500 3.136 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001135436809 1377097020 /nfs/dbraw/zinc/09/70/20/1377097020.db2.gz ACZGBUFKMDUSCS-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001135440788 1377098695 /nfs/dbraw/zinc/09/86/95/1377098695.db2.gz REGPNGZCRYIWNV-MRXNPFEDSA-N 2 0 337.483 3.105 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001254511065 1377105058 /nfs/dbraw/zinc/10/50/58/1377105058.db2.gz UKUZYTUOVAMRCK-LJQANCHMSA-N 3 0 333.495 3.112 20 0 EGADRP Cc1cc(F)ccc1CN1CCC([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254510481 1377105297 /nfs/dbraw/zinc/10/52/97/1377105297.db2.gz WUMTUZFGKBVGIA-IBGZPJMESA-N 2 0 333.495 3.172 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254527399 1377107301 /nfs/dbraw/zinc/10/73/01/1377107301.db2.gz XSCHHTIQNPDTKC-QGZVFWFLSA-N 2 0 326.488 3.237 20 0 EGADRP CCOC(=O)C1CCC([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001255264860 1377110373 /nfs/dbraw/zinc/11/03/73/1377110373.db2.gz GGYJKMLAPLMCDM-UHFFFAOYSA-N 2 0 336.520 3.162 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135477415 1377111761 /nfs/dbraw/zinc/11/17/61/1377111761.db2.gz VBQCVQMSYLCMIY-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001257100200 1377113084 /nfs/dbraw/zinc/11/30/84/1377113084.db2.gz AQIQDWJHEKISBH-HZPDHXFCSA-N 2 0 327.513 3.096 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481241 1377113826 /nfs/dbraw/zinc/11/38/26/1377113826.db2.gz RRALNPSTVWNDET-RTBURBONSA-N 2 0 347.547 3.080 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614009 1377162327 /nfs/dbraw/zinc/16/23/27/1377162327.db2.gz LACJZASZZHZDPJ-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP CCc1ccccc1CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135747575 1377200391 /nfs/dbraw/zinc/20/03/91/1377200391.db2.gz SLVUAAKSJOREGY-ROUUACIJSA-N 2 0 347.547 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001266182442 1377218923 /nfs/dbraw/zinc/21/89/23/1377218923.db2.gz IECMFKINYRGSSW-BEFAXECRSA-N 2 0 349.494 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135860822 1377237973 /nfs/dbraw/zinc/23/79/73/1377237973.db2.gz HZMFIEDQOLBKGD-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135860553 1377238054 /nfs/dbraw/zinc/23/80/54/1377238054.db2.gz DKVTUEDZAQWWTP-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135861142 1377238265 /nfs/dbraw/zinc/23/82/65/1377238265.db2.gz MTVAMDBZEYPEFT-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901358 1377255584 /nfs/dbraw/zinc/25/55/84/1377255584.db2.gz HBTDCTYWNQUNTA-SJORKVTESA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001135974837 1377283480 /nfs/dbraw/zinc/28/34/80/1377283480.db2.gz WKAMWKHWPQKIMK-ROUUACIJSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135979022 1377284913 /nfs/dbraw/zinc/28/49/13/1377284913.db2.gz AXBWLYBYPYEINQ-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135981066 1377286568 /nfs/dbraw/zinc/28/65/68/1377286568.db2.gz XFBQGQPKLYVQID-CABCVRRESA-N 2 0 347.494 3.027 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327308807 1388494022 /nfs/dbraw/zinc/49/40/22/1388494022.db2.gz QRGOERCGVVEHAY-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001266877359 1377398741 /nfs/dbraw/zinc/39/87/41/1377398741.db2.gz DFECKXGQKOOJHZ-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CCC(C)(C)CC1 ZINC001136541777 1377403510 /nfs/dbraw/zinc/40/35/10/1377403510.db2.gz NJSPABKQZFVCJF-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001267089898 1377411775 /nfs/dbraw/zinc/41/17/75/1377411775.db2.gz GSJYORJHHGAXPC-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CCC1CCCC1 ZINC001267250502 1377431392 /nfs/dbraw/zinc/43/13/92/1377431392.db2.gz KUGUCKMWMWBFGN-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CC(C)C1 ZINC001267314974 1377440500 /nfs/dbraw/zinc/44/05/00/1377440500.db2.gz XSEMREDUCNTKSW-AFMYVXGZSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(OC)nc3)CC2)CC1 ZINC001137038224 1377462822 /nfs/dbraw/zinc/46/28/22/1377462822.db2.gz XHNKQZLGEYAICS-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137186460 1377492927 /nfs/dbraw/zinc/49/29/27/1377492927.db2.gz VSXLAOLBYTZKIT-UHFFFAOYSA-N 2 0 327.472 3.493 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001269544842 1377558047 /nfs/dbraw/zinc/55/80/47/1377558047.db2.gz UUUHZBONUIBINQ-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP COC(=O)c1ccccc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001137789342 1377616324 /nfs/dbraw/zinc/61/63/24/1377616324.db2.gz QTXVITLYUOAXLG-UHFFFAOYSA-N 2 0 330.472 3.027 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)Cc1ncc[nH]1)c1ccccc1 ZINC001271591308 1377642384 /nfs/dbraw/zinc/64/23/84/1377642384.db2.gz JKQQMYQAAWRMLA-SJLPKXTDSA-N 2 0 340.471 3.074 20 0 EGADRP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC001138015460 1377665449 /nfs/dbraw/zinc/66/54/49/1377665449.db2.gz HDPJUVZLAMKKQU-UHFFFAOYSA-N 2 0 337.511 3.360 20 0 EGADRP CC[NH+]1C[C@H]2CN(Cc3ccc(OC)c4cccc(OC)c34)C[C@@H]2C1 ZINC001138753798 1377780439 /nfs/dbraw/zinc/78/04/39/1377780439.db2.gz AZWZRRILWOUTGC-IRXDYDNUSA-N 2 0 340.467 3.241 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185399 1377845829 /nfs/dbraw/zinc/84/58/29/1377845829.db2.gz VJFLQEGUWMHBPZ-KRWDZBQOSA-N 2 0 348.288 3.458 20 0 EGADRP c1ccc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc4nonc4c2)CC3)cc1 ZINC001139221816 1377854740 /nfs/dbraw/zinc/85/47/40/1377854740.db2.gz AMPAYNZLTWPDPO-UHFFFAOYSA-N 2 0 348.450 3.321 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139395204 1377878789 /nfs/dbraw/zinc/87/87/89/1377878789.db2.gz SMYKUVNDPFUWPA-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)ncc1Br)CC2 ZINC001139808412 1377953833 /nfs/dbraw/zinc/95/38/33/1377953833.db2.gz XXIYOGRNBLVFLU-UHFFFAOYSA-N 2 0 344.684 3.025 20 0 EGADRP Cn1cnc2cc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)ccc21 ZINC001140507652 1378074973 /nfs/dbraw/zinc/07/49/73/1378074973.db2.gz NJROPOHKWREKDN-UHFFFAOYSA-N 2 0 326.488 3.127 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cccc3c1CCCC3)CC2 ZINC001275534089 1378141399 /nfs/dbraw/zinc/14/13/99/1378141399.db2.gz WSLYPSIYEVWTJT-UHFFFAOYSA-N 2 0 341.543 3.025 20 0 EGADRP COC(C)(C)C[N@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277584275 1378234690 /nfs/dbraw/zinc/23/46/90/1378234690.db2.gz DCANPNFOGKJVLR-GASCZTMLSA-N 2 0 336.442 3.398 20 0 EGADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CCc1cccc2ccccc21 ZINC001278020736 1378254829 /nfs/dbraw/zinc/25/48/29/1378254829.db2.gz DXLRCIYWDILXAY-VXKWHMMOSA-N 2 0 337.511 3.093 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@@]12CC[N@H+](C[C@H]1CCC[NH+](C)C1)C2)C(C)C ZINC001278148780 1378260075 /nfs/dbraw/zinc/26/00/75/1378260075.db2.gz PWWAHSPMYDRDIQ-ZJOUEHCJSA-N 2 0 349.563 3.077 20 0 EGADRP FC(F)(F)CCC[NH+]1CC2(C1)CCCN(CC[NH+]1CCCCC1)C2 ZINC001278146977 1378260361 /nfs/dbraw/zinc/26/03/61/1378260361.db2.gz SPIJQMNXZJUPRS-UHFFFAOYSA-N 2 0 347.469 3.213 20 0 EGADRP C[C@H]1CCC[C@@](CNC(=O)CC[N@H+](C)C2CCCCC2)([NH+](C)C)C1 ZINC001142065126 1378410080 /nfs/dbraw/zinc/41/00/80/1378410080.db2.gz LJPWVMICILBOJT-FXAWDEMLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001142588022 1378462059 /nfs/dbraw/zinc/46/20/59/1378462059.db2.gz LNQXFEZFFWQXIM-FQEVSTJZSA-N 2 0 343.515 3.309 20 0 EGADRP COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001142906791 1378508075 /nfs/dbraw/zinc/50/80/75/1378508075.db2.gz XBZIVQHKRYSGIS-FQEVSTJZSA-N 2 0 344.499 3.243 20 0 EGADRP c1[nH]nc2cccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c12 ZINC001143094990 1378538683 /nfs/dbraw/zinc/53/86/83/1378538683.db2.gz DFBHQEKGFNLIQW-RTBURBONSA-N 2 0 332.451 3.127 20 0 EGADRP COC(=O)c1ccc2[nH]cc(C[N@H+](C(C)C)C3CCN(C)CC3)c2c1 ZINC001143242662 1378568543 /nfs/dbraw/zinc/56/85/43/1378568543.db2.gz IRSQRMPXRBCQKK-UHFFFAOYSA-N 2 0 343.471 3.259 20 0 EGADRP COc1ccc(F)c(C(F)(F)F)c1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001143297675 1378575611 /nfs/dbraw/zinc/57/56/11/1378575611.db2.gz AWFHAUAUJCBDRG-NEPJUHHUSA-N 2 0 346.368 3.237 20 0 EGADRP COc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC(F)(F)F ZINC001143879421 1378656911 /nfs/dbraw/zinc/65/69/11/1378656911.db2.gz KCRCKRQVVFWAOJ-MRXNPFEDSA-N 2 0 344.377 3.121 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001144005622 1378670076 /nfs/dbraw/zinc/67/00/76/1378670076.db2.gz XWSRHKPCSJJNNJ-UHFFFAOYSA-N 2 0 344.377 3.121 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[NH+]1CCCC1 ZINC001146338740 1378820466 /nfs/dbraw/zinc/82/04/66/1378820466.db2.gz HTEPQTSICZJPHM-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)s1 ZINC001146603343 1378877028 /nfs/dbraw/zinc/87/70/28/1378877028.db2.gz XEALPTAYKPEWGG-ZIAGYGMSSA-N 2 0 339.549 3.078 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001147358541 1379008677 /nfs/dbraw/zinc/00/86/77/1379008677.db2.gz GIZGLEQSPXIGMF-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001147449034 1379022854 /nfs/dbraw/zinc/02/28/54/1379022854.db2.gz FUYLJBSUHGXUKX-QRVBRYPASA-N 2 0 337.552 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001147456946 1379025061 /nfs/dbraw/zinc/02/50/61/1379025061.db2.gz AHDWKWCYVHVHGP-QULHZPMSSA-N 2 0 331.504 3.132 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC001147458637 1379025522 /nfs/dbraw/zinc/02/55/22/1379025522.db2.gz MDVHWPJFKXJIID-HKUYNNGSSA-N 2 0 333.520 3.067 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147558159 1379042456 /nfs/dbraw/zinc/04/24/56/1379042456.db2.gz NTWBSHFMJOMBKZ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)CCCC1 ZINC001147987119 1379103160 /nfs/dbraw/zinc/10/31/60/1379103160.db2.gz YGROPUGCNNPGSB-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147987132 1379103212 /nfs/dbraw/zinc/10/32/12/1379103212.db2.gz YTKRBZPSSMJIOP-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284916 1379145280 /nfs/dbraw/zinc/14/52/80/1379145280.db2.gz JKHREKLJLCSHQB-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001148365097 1379157222 /nfs/dbraw/zinc/15/72/22/1379157222.db2.gz GXWDPWWDFMXFJS-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391976 1379163621 /nfs/dbraw/zinc/16/36/21/1379163621.db2.gz ZIYSVASKOTUJQQ-PXPVJAHISA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCC1CCCCCC1)C2 ZINC001148843887 1379281851 /nfs/dbraw/zinc/28/18/51/1379281851.db2.gz JBBJEFUWSNLYRZ-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001149080298 1379324294 /nfs/dbraw/zinc/32/42/94/1379324294.db2.gz ZPHFSLMUHYTEMI-SFHVURJKSA-N 2 0 345.531 3.228 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001284025344 1379373166 /nfs/dbraw/zinc/37/31/66/1379373166.db2.gz IVSDLVGIGLIZAS-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001151362510 1379706208 /nfs/dbraw/zinc/70/62/08/1379706208.db2.gz XXFYVWMETTYWGJ-RBUKOAKNSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c(C)c1 ZINC001152480210 1379940459 /nfs/dbraw/zinc/94/04/59/1379940459.db2.gz MWFBZRMIAFMAPJ-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312285 1380053141 /nfs/dbraw/zinc/05/31/41/1380053141.db2.gz CWJXEBHUSCXFOB-QZTJIDSGSA-N 2 0 325.541 3.266 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313904 1380054297 /nfs/dbraw/zinc/05/42/97/1380054297.db2.gz ZAQYBKVKSUDKMM-QUCCMNQESA-N 2 0 345.531 3.194 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001153314612 1380055234 /nfs/dbraw/zinc/05/52/34/1380055234.db2.gz PGSZMDDOFGNXKT-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(F)cc1 ZINC001153727531 1380119405 /nfs/dbraw/zinc/11/94/05/1380119405.db2.gz CILCZPXHHSQUEE-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814752 1380135355 /nfs/dbraw/zinc/13/53/55/1380135355.db2.gz WQRLCUBTNOBNII-MOPGFXCFSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824397 1380137327 /nfs/dbraw/zinc/13/73/27/1380137327.db2.gz SLYYOSHSCQKTEX-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880084 1380149178 /nfs/dbraw/zinc/14/91/78/1380149178.db2.gz WZFJETIEIWARNH-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930057 1380157098 /nfs/dbraw/zinc/15/70/98/1380157098.db2.gz FEGXSIGFZFHTMO-XLIONFOSSA-N 2 0 347.547 3.162 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990388 1380171530 /nfs/dbraw/zinc/17/15/30/1380171530.db2.gz CGHYJRQMALISHD-GOSISDBHSA-N 2 0 347.547 3.189 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C/C=C\c1ccccc1 ZINC001154070275 1380198249 /nfs/dbraw/zinc/19/82/49/1380198249.db2.gz WYUJRCOUOKSICU-WTQUMQLASA-N 2 0 345.531 3.257 20 0 EGADRP CC[C@H](F)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099522 1380207763 /nfs/dbraw/zinc/20/77/63/1380207763.db2.gz LDHHPMUVYLPWOU-CVEARBPZSA-N 2 0 343.531 3.214 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167462 1380219832 /nfs/dbraw/zinc/21/98/32/1380219832.db2.gz HRLQRMLBXACHNG-QGZVFWFLSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178462 1380222184 /nfs/dbraw/zinc/22/21/84/1380222184.db2.gz JSQYVZOGTOFPSV-IAGOWNOFSA-N 2 0 344.503 3.457 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455173 1380281194 /nfs/dbraw/zinc/28/11/94/1380281194.db2.gz IQVHTRWIENMMRV-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464792 1380283060 /nfs/dbraw/zinc/28/30/60/1380283060.db2.gz YGTPFPXXCJBDRO-LXPRWKDFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154850606 1380364817 /nfs/dbraw/zinc/36/48/17/1380364817.db2.gz FJVCYBBBGUXWIC-NSHGMRRFSA-N 2 0 345.531 3.052 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888866 1380373488 /nfs/dbraw/zinc/37/34/88/1380373488.db2.gz XWNPMFUBYIBKKQ-OAHLLOKOSA-N 2 0 349.519 3.218 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180710 1380420282 /nfs/dbraw/zinc/42/02/82/1380420282.db2.gz MPGSROAGKPVCCM-YXZPIEPFSA-N 2 0 325.541 3.290 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227168 1380426637 /nfs/dbraw/zinc/42/66/37/1380426637.db2.gz XAJJXUNQJXVYIH-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283170 1380433418 /nfs/dbraw/zinc/43/34/18/1380433418.db2.gz LKBSOXWZBFWBBA-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2nc(Cl)nc3c2C[N@H+](C)CC3)c1 ZINC001155346678 1380440424 /nfs/dbraw/zinc/44/04/24/1380440424.db2.gz LNLCLFFMMCOQEJ-NSHDSACASA-N 2 0 341.846 3.082 20 0 EGADRP Cc1ccc2nc(Cl)cc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c2c1 ZINC001155374348 1380442697 /nfs/dbraw/zinc/44/26/97/1380442697.db2.gz XXGIYEADAZUYTD-OAHLLOKOSA-N 2 0 344.890 3.056 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631281 1380476838 /nfs/dbraw/zinc/47/68/38/1380476838.db2.gz LCNWPEDTLWQZOQ-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001155790985 1380492444 /nfs/dbraw/zinc/49/24/44/1380492444.db2.gz QEBDZEBWKRYUOK-LPHOPBHVSA-N 2 0 331.504 3.061 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001155811892 1380494426 /nfs/dbraw/zinc/49/44/26/1380494426.db2.gz LIAZCVYRYCMJLQ-LPHOPBHVSA-N 2 0 345.531 3.235 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CCCn1ccnc1C ZINC001155830297 1380496252 /nfs/dbraw/zinc/49/62/52/1380496252.db2.gz WOGIHNJDOAKMFC-MRXNPFEDSA-N 2 0 336.524 3.235 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF)C(C)C ZINC001155883969 1380502328 /nfs/dbraw/zinc/50/23/28/1380502328.db2.gz UJUVDFZGPQGVLZ-QZTJIDSGSA-N 2 0 345.547 3.319 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1)C(C)C ZINC001155883762 1380502481 /nfs/dbraw/zinc/50/24/81/1380502481.db2.gz GATSYNAOKPVSDZ-UYAOXDASSA-N 2 0 347.547 3.380 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCC1)C(C)C ZINC001155884064 1380502543 /nfs/dbraw/zinc/50/25/43/1380502543.db2.gz ZPIDIRJTKRPQAX-MJGOQNOKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994187 1380511758 /nfs/dbraw/zinc/51/17/58/1380511758.db2.gz JTUKYNIENHGRMX-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994206 1380511762 /nfs/dbraw/zinc/51/17/62/1380511762.db2.gz KJDIQDNGAHAJMC-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341582 1380561522 /nfs/dbraw/zinc/56/15/22/1380561522.db2.gz JTODCYGRTATQNH-DYESRHJHSA-N 2 0 345.531 3.090 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428573 1380575054 /nfs/dbraw/zinc/57/50/54/1380575054.db2.gz SRGATTCATPBJAW-DOOKAGJSSA-N 2 0 346.519 3.334 20 0 EGADRP Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(N(C)C)[nH+]1 ZINC001156523867 1380588057 /nfs/dbraw/zinc/58/80/57/1380588057.db2.gz WQSWXVPHGMLMDC-QGZVFWFLSA-N 2 0 325.460 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cc2ccccc2o1 ZINC001156525762 1380588116 /nfs/dbraw/zinc/58/81/16/1380588116.db2.gz YLAFRULOYWTAJL-MRXNPFEDSA-N 2 0 345.487 3.101 20 0 EGADRP CC1(C)C[N@H+](CC2CCCC2)CC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001328099418 1388671267 /nfs/dbraw/zinc/67/12/67/1388671267.db2.gz VMYRVVHKPNCYGE-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091795 1380774431 /nfs/dbraw/zinc/77/44/31/1380774431.db2.gz BZCVHHCHHDSVHF-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CC(C)(C)CN(c1ncccc1C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC001157892491 1381062281 /nfs/dbraw/zinc/06/22/81/1381062281.db2.gz WFGMJEQLZULJDU-UHFFFAOYSA-N 2 0 330.520 3.282 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157950865 1381079703 /nfs/dbraw/zinc/07/97/03/1381079703.db2.gz IGDSMORSZVWRKP-RTBURBONSA-N 2 0 337.552 3.362 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157973910 1381089946 /nfs/dbraw/zinc/08/99/46/1381089946.db2.gz XXCWHZTVWVMRDY-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158030291 1381108238 /nfs/dbraw/zinc/10/82/38/1381108238.db2.gz UOKLKCLFLHGFCA-QZTJIDSGSA-N 2 0 343.531 3.169 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)[NH+]1CCCCC1 ZINC001158079707 1381121988 /nfs/dbraw/zinc/12/19/88/1381121988.db2.gz MTJSFLPRTBVMRO-LJQANCHMSA-N 2 0 343.515 3.034 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158098277 1381126781 /nfs/dbraw/zinc/12/67/81/1381126781.db2.gz GUUSRXLQSVSWCH-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158398557 1381230911 /nfs/dbraw/zinc/23/09/11/1381230911.db2.gz YBQJPDCAQCNUOY-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001328281959 1388712830 /nfs/dbraw/zinc/71/28/30/1388712830.db2.gz FEIPJQKKVDEHIL-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158714319 1381363693 /nfs/dbraw/zinc/36/36/93/1381363693.db2.gz MKUKTYIRWRJIHL-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP CCOC(=O)c1c(Nc2ccc(C[NH2+]C)cc2)sc2c1CC[NH2+]C2 ZINC001159209270 1381731386 /nfs/dbraw/zinc/73/13/86/1381731386.db2.gz VUMWPVYBZYIABX-UHFFFAOYSA-N 2 0 345.468 3.034 20 0 EGADRP c1cnc(OC2CC[NH2+]CC2)c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001159241914 1381741284 /nfs/dbraw/zinc/74/12/84/1381741284.db2.gz JKJHGCZQZBCPMH-QGZVFWFLSA-N 2 0 342.487 3.157 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001159334270 1381768015 /nfs/dbraw/zinc/76/80/15/1381768015.db2.gz BNVOIZGFFBCHKX-HKUYNNGSSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccccc1 ZINC001159355551 1381774572 /nfs/dbraw/zinc/77/45/72/1381774572.db2.gz HADVDGXIRHBSLK-RTBURBONSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1-c1nnc(CN(C)C)o1 ZINC001328433781 1388744776 /nfs/dbraw/zinc/74/47/76/1388744776.db2.gz PFXHKUQMVISVMS-HNNXBMFYSA-N 2 0 344.459 3.051 20 0 EGADRP Cc1ccc2nc(-c3ccccc3F)nc(N[C@H]([NH3+])CCC[NH3+])c2c1 ZINC001159787094 1381900612 /nfs/dbraw/zinc/90/06/12/1381900612.db2.gz RIEUAAFPYZMPEV-KRWDZBQOSA-N 2 0 339.418 3.180 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001159837213 1381916854 /nfs/dbraw/zinc/91/68/54/1381916854.db2.gz BTUYQEOBJLLUIK-LJQANCHMSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001159909808 1381933916 /nfs/dbraw/zinc/93/39/16/1381933916.db2.gz NOSQYLAWKAYJHK-UXHICEINSA-N 2 0 345.531 3.497 20 0 EGADRP CC(C)([NH3+])c1ccc(N(c2cccc(F)c2N)C2CC[NH2+]CC2)cc1 ZINC001160064273 1381987593 /nfs/dbraw/zinc/98/75/93/1381987593.db2.gz KUYSDROQNHUQGK-UHFFFAOYSA-N 2 0 342.462 3.492 20 0 EGADRP [NH3+]C1CCN(c2cccc(F)c2Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001160073143 1381990493 /nfs/dbraw/zinc/99/04/93/1381990493.db2.gz HVQQSJLUSLLKRN-UHFFFAOYSA-N 2 0 326.419 3.100 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001160127881 1382005733 /nfs/dbraw/zinc/00/57/33/1382005733.db2.gz IFNJBGPAZDFMEE-MRXNPFEDSA-N 2 0 329.419 3.372 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)CC[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001160268050 1382056634 /nfs/dbraw/zinc/05/66/34/1382056634.db2.gz USQLVUWBNFFHAF-LJQANCHMSA-N 2 0 345.531 3.082 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001160369192 1382086248 /nfs/dbraw/zinc/08/62/48/1382086248.db2.gz UMRXOWGULMUGKI-QZTJIDSGSA-N 2 0 335.536 3.116 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379630 1382087557 /nfs/dbraw/zinc/08/75/57/1382087557.db2.gz MDYQDEWWVYBYJC-WAYWQWQTSA-N 2 0 347.547 3.356 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001160478915 1382117614 /nfs/dbraw/zinc/11/76/14/1382117614.db2.gz DSKBJNVMGMRNPE-LJQANCHMSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001160479156 1382118209 /nfs/dbraw/zinc/11/82/09/1382118209.db2.gz QTEQYKJSWKCKPM-HXUWFJFHSA-N 2 0 347.547 3.356 20 0 EGADRP COc1cccc2c1c(C[NH3+])cn2-c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001160765412 1382190075 /nfs/dbraw/zinc/19/00/75/1382190075.db2.gz SWCWYCIRARFFCE-UHFFFAOYSA-N 2 0 336.439 3.087 20 0 EGADRP Cc1cc(-c2cccc(F)c2)nnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160951796 1382248911 /nfs/dbraw/zinc/24/89/11/1382248911.db2.gz LDRAOWSRYXWPTM-UHFFFAOYSA-N 2 0 347.397 3.431 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2c(C[NH3+])cc3ccncc32)nc1 ZINC001160963036 1382253227 /nfs/dbraw/zinc/25/32/27/1382253227.db2.gz RIDCDHGZVWOVGA-GOSISDBHSA-N 2 0 335.455 3.426 20 0 EGADRP C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001161046447 1382283079 /nfs/dbraw/zinc/28/30/79/1382283079.db2.gz LLJKZIGCLNCDPV-UZLBHIALSA-N 2 0 341.499 3.418 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205790 1382340216 /nfs/dbraw/zinc/34/02/16/1382340216.db2.gz GYHOZTIUVWXDNN-IEBWSBKVSA-N 2 0 349.563 3.149 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161207010 1382342118 /nfs/dbraw/zinc/34/21/18/1382342118.db2.gz ORJZMOYLTSLYAQ-KRWDZBQOSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001161226865 1382348742 /nfs/dbraw/zinc/34/87/42/1382348742.db2.gz RBWWJAMZHIQXFZ-INIZCTEOSA-N 2 0 345.531 3.063 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001161230641 1382349535 /nfs/dbraw/zinc/34/95/35/1382349535.db2.gz DIUVZLGAWUJLTA-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001161383216 1382392421 /nfs/dbraw/zinc/39/24/21/1382392421.db2.gz MMSJWOBIXCXIBE-GOSISDBHSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC2=CC[N@H+](CC3CCCC3)CC2)CC1 ZINC001161390830 1382396271 /nfs/dbraw/zinc/39/62/71/1382396271.db2.gz KTATYTNHBJZBHS-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444608 1382412890 /nfs/dbraw/zinc/41/28/90/1382412890.db2.gz HZQALMYNXFZJTN-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC[NH+](Cc1ccccc1)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001328588423 1388783827 /nfs/dbraw/zinc/78/38/27/1388783827.db2.gz VJEMCGKPNFWNNP-UHFFFAOYSA-N 2 0 345.531 3.089 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001161524422 1382430433 /nfs/dbraw/zinc/43/04/33/1382430433.db2.gz IIKUTWGXYMWKMH-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161564116 1382440218 /nfs/dbraw/zinc/44/02/18/1382440218.db2.gz UGTSRSRZCDEZBT-WAYWQWQTSA-N 2 0 328.460 3.099 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704856 1382485515 /nfs/dbraw/zinc/48/55/15/1382485515.db2.gz IGYSNWQQOMHWPT-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+](C)CCCCNc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001161730775 1382491115 /nfs/dbraw/zinc/49/11/15/1382491115.db2.gz GTDKXCXCIVOSNO-KRWDZBQOSA-N 2 0 329.492 3.105 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)c1ccc(F)cc1 ZINC001161795466 1382508626 /nfs/dbraw/zinc/50/86/26/1382508626.db2.gz JQPSDFGOVTTWPA-SFHVURJKSA-N 2 0 347.478 3.001 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161894171 1382543281 /nfs/dbraw/zinc/54/32/81/1382543281.db2.gz ZAGIHBWVXIYTHF-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953036 1382569576 /nfs/dbraw/zinc/56/95/76/1382569576.db2.gz OYYZWWUMLAWHFP-AZUAARDMSA-N 2 0 349.563 3.291 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1cc(Cl)nc2c(F)ccc(F)c12 ZINC001162294752 1382724466 /nfs/dbraw/zinc/72/44/66/1382724466.db2.gz WCQZGQXTSLYFKW-UHFFFAOYSA-N 2 0 342.821 3.297 20 0 EGADRP C[C@H](Nc1cccc(N2CCC([NH3+])CC2)[nH+]1)c1cccc(N(C)C)c1 ZINC001162633802 1382817259 /nfs/dbraw/zinc/81/72/59/1382817259.db2.gz XMOTYEFTFIUKIG-HNNXBMFYSA-N 2 0 339.487 3.248 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ncnc3sc4c(c32)CC[NH2+]C4)c1 ZINC001162898807 1382909827 /nfs/dbraw/zinc/90/98/27/1382909827.db2.gz HXWBQFZZXJZDTL-NSHDSACASA-N 2 0 349.463 3.301 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncc(F)c(C3CC[NH2+]CC3)n2)c1 ZINC001162901697 1382910287 /nfs/dbraw/zinc/91/02/87/1382910287.db2.gz BZPCTGNNEOZKRC-GFCCVEGCSA-N 2 0 339.418 3.046 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001162907482 1382911918 /nfs/dbraw/zinc/91/19/18/1382911918.db2.gz CUCGLLRMFKRRFD-INIZCTEOSA-N 2 0 334.467 3.402 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ccccc2Cn2cc[nH+]c2N)c1 ZINC001162913310 1382914759 /nfs/dbraw/zinc/91/47/59/1382914759.db2.gz FBHYKLYCMQFIDO-AWEZNQCLSA-N 2 0 331.423 3.477 20 0 EGADRP CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](CC)CC ZINC001162929229 1382919054 /nfs/dbraw/zinc/91/90/54/1382919054.db2.gz UBNATXZZVCTYJJ-FQEVSTJZSA-N 2 0 347.547 3.178 20 0 EGADRP c1nc2cc(N[C@@]34CCC[C@@H]3[NH2+]CC4)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001162985018 1382938114 /nfs/dbraw/zinc/93/81/14/1382938114.db2.gz XFJWOFRDEFZBMS-LSTHTHJFSA-N 2 0 339.487 3.047 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC[NH2+]C[C@@H](C)CC)CCc1ccccc1 ZINC001162987682 1382939114 /nfs/dbraw/zinc/93/91/14/1382939114.db2.gz UDUFOAFPTQXGQC-IBGZPJMESA-N 2 0 347.547 3.035 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H](C)C1 ZINC001163371656 1383035652 /nfs/dbraw/zinc/03/56/52/1383035652.db2.gz RWRWPKSRQTUPOB-VQIMIIECSA-N 3 0 346.519 3.085 20 0 EGADRP Cc1cc(N2CCN(c3cc(N)c(C)c[nH+]3)CC2)c2ccccc2[nH+]1 ZINC001164203457 1383165754 /nfs/dbraw/zinc/16/57/54/1383165754.db2.gz ZTNMPRBEEDKKMM-UHFFFAOYSA-N 2 0 333.439 3.155 20 0 EGADRP COc1cc2cc[nH+]c(N3CCC[C@@](C)(C[NH3+])CC3)c2cc1OC ZINC001164246990 1383170991 /nfs/dbraw/zinc/17/09/91/1383170991.db2.gz FWMNCLBTQASPDE-LJQANCHMSA-N 2 0 329.444 3.207 20 0 EGADRP Nc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[nH+]cc1F ZINC001164486146 1383192034 /nfs/dbraw/zinc/19/20/34/1383192034.db2.gz LCWCRLAYSDDSSF-RVKKMQEKSA-N 2 0 326.419 3.125 20 0 EGADRP CC(C)(C)CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491540 1383192587 /nfs/dbraw/zinc/19/25/87/1383192587.db2.gz JVFBPEQKZWESQK-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531312 1383196573 /nfs/dbraw/zinc/19/65/73/1383196573.db2.gz CVQWYVZYDHQIFX-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164578532 1383201332 /nfs/dbraw/zinc/20/13/32/1383201332.db2.gz FNJJOSRCOYBQMB-YZPMEYCISA-N 2 0 349.563 3.339 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164582353 1383201941 /nfs/dbraw/zinc/20/19/41/1383201941.db2.gz JDIDBULVWSQINQ-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165465010 1383298677 /nfs/dbraw/zinc/29/86/77/1383298677.db2.gz PZJHNNDSXSUQFR-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1)[NH+](C)C ZINC001165617310 1383315664 /nfs/dbraw/zinc/31/56/64/1383315664.db2.gz KQLLNDPHEBAXMY-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001165719038 1383331364 /nfs/dbraw/zinc/33/13/64/1383331364.db2.gz YDGTYZHSHHGLEV-PKOBYXMFSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728372 1383334469 /nfs/dbraw/zinc/33/44/69/1383334469.db2.gz QJJGJALIYQUEHA-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1)[NH+](CC)CC ZINC001166447085 1383423580 /nfs/dbraw/zinc/42/35/80/1383423580.db2.gz HHRSELIKAZYKIT-MJGOQNOKSA-N 2 0 333.520 3.272 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccccc1CC ZINC001328785822 1388862919 /nfs/dbraw/zinc/86/29/19/1388862919.db2.gz KNMHBTBWEBWQIQ-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001167179657 1383559806 /nfs/dbraw/zinc/55/98/06/1383559806.db2.gz NWKKUZQRKQGSIA-LJQANCHMSA-N 2 0 345.531 3.183 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CCCCCF)CC1)[NH+](CC)CC ZINC001167180335 1383560431 /nfs/dbraw/zinc/56/04/31/1383560431.db2.gz XVJXOUBCUVLIQG-QGZVFWFLSA-N 2 0 343.531 3.123 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC[C@H](C)F)CC1 ZINC001167470768 1383642689 /nfs/dbraw/zinc/64/26/89/1383642689.db2.gz AOZYPGCWOIRKOK-KRWDZBQOSA-N 2 0 343.531 3.123 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001167480365 1383646230 /nfs/dbraw/zinc/64/62/30/1383646230.db2.gz BSTVKYJLTQMIQY-LJQANCHMSA-N 2 0 345.531 3.356 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2c(C)cccc2C)CC1 ZINC001167486540 1383648775 /nfs/dbraw/zinc/64/87/75/1383648775.db2.gz ITKUYUBWUFTHLE-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167522786 1383658326 /nfs/dbraw/zinc/65/83/26/1383658326.db2.gz FKTXPEUWEDUACL-AATRIKPKSA-N 2 0 349.563 3.341 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC001167610113 1383688833 /nfs/dbraw/zinc/68/88/33/1383688833.db2.gz QFFOYPUEBWPDSP-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167627454 1383692509 /nfs/dbraw/zinc/69/25/09/1383692509.db2.gz OCLOLTQPTHGVHP-FQEVSTJZSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627448 1383692846 /nfs/dbraw/zinc/69/28/46/1383692846.db2.gz OAMGHRWMPUNHKZ-ICSRJNTNSA-N 2 0 345.531 3.415 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742740 1383726833 /nfs/dbraw/zinc/72/68/33/1383726833.db2.gz VVNWIYXJGPCWDH-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742815 1383727376 /nfs/dbraw/zinc/72/73/76/1383727376.db2.gz YGERHRDVAUEESU-YSKLNCTFSA-N 2 0 349.563 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001167814699 1383746955 /nfs/dbraw/zinc/74/69/55/1383746955.db2.gz BRRNHGWDQWCQMS-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167814839 1383747385 /nfs/dbraw/zinc/74/73/85/1383747385.db2.gz GYGWGTPJRDOKRQ-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC(=O)N(C(C)C)C2)CC1 ZINC001167834450 1383752988 /nfs/dbraw/zinc/75/29/88/1383752988.db2.gz KEHMWBQRDFJHTK-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)n1cc2c(cccc2N2CC[NH2+]CC2)n1 ZINC001167833679 1383753321 /nfs/dbraw/zinc/75/33/21/1383753321.db2.gz DGVVHQGQVRIMKW-QGZVFWFLSA-N 2 0 343.519 3.129 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001167833336 1383753544 /nfs/dbraw/zinc/75/35/44/1383753544.db2.gz AMAXMNLFSLYHQS-QYZOEREBSA-N 2 0 327.532 3.395 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001167835676 1383754435 /nfs/dbraw/zinc/75/44/35/1383754435.db2.gz SJVNBJWEVBBELT-GOSISDBHSA-N 2 0 332.536 3.459 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(CC)(NC(=O)OC(C)(C)C)C1 ZINC001167839640 1383755797 /nfs/dbraw/zinc/75/57/97/1383755797.db2.gz AXHWGUAOWHAOFP-INIZCTEOSA-N 2 0 341.540 3.486 20 0 EGADRP O[C@@]1(C(F)(F)F)CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982878 1383786969 /nfs/dbraw/zinc/78/69/69/1383786969.db2.gz DEDSRNYTYLHCLK-WFVVYAPDSA-N 2 0 346.437 3.171 20 0 EGADRP c1ccc(N(C2CC[NH2+]CC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001168002983 1383793390 /nfs/dbraw/zinc/79/33/90/1383793390.db2.gz GQVYUTQNEYRBQK-YOFSQIOKSA-N 2 0 340.515 3.045 20 0 EGADRP C[C@H]1CC([NH2+]CCC2(C)OCCO2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168018583 1383798528 /nfs/dbraw/zinc/79/85/28/1383798528.db2.gz ZZXDCQPXGGMEBD-IRXDYDNUSA-N 2 0 332.488 3.171 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCCN(C)[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056638 1383805271 /nfs/dbraw/zinc/80/52/71/1383805271.db2.gz HEVYBKKAMWHBGH-XRYRHKQGSA-N 2 0 341.543 3.454 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001168162074 1383829477 /nfs/dbraw/zinc/82/94/77/1383829477.db2.gz DZHVVPOWOCIXFA-MOPGFXCFSA-N 2 0 349.563 3.175 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168290902 1383865275 /nfs/dbraw/zinc/86/52/75/1383865275.db2.gz NNJITCQOSLLCLJ-LXORQPIJSA-N 2 0 349.563 3.482 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001168298801 1383866933 /nfs/dbraw/zinc/86/69/33/1383866933.db2.gz CVVRMGOYYHRYRS-KOHJWAIASA-N 2 0 331.287 3.489 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2(c3cccc(C(F)(F)F)c3)COC2)CC1 ZINC001168298155 1383866971 /nfs/dbraw/zinc/86/69/71/1383866971.db2.gz BGPPBEDWFYBQKX-UHFFFAOYSA-N 2 0 342.405 3.393 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168302480 1383867153 /nfs/dbraw/zinc/86/71/53/1383867153.db2.gz UGXMCXCBUYATHZ-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168302345 1383867376 /nfs/dbraw/zinc/86/73/76/1383867376.db2.gz OTSYOHRAAYCJMK-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001168302402 1383867617 /nfs/dbraw/zinc/86/76/17/1383867617.db2.gz RNGMSWMYMXKANH-UHFFFAOYSA-N 2 0 349.544 3.000 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)C3CCCCC3)CC2)CC1 ZINC001168311815 1383870621 /nfs/dbraw/zinc/87/06/21/1383870621.db2.gz BNPXJCRYWPCSLA-OFVLBHHSSA-N 2 0 349.563 3.457 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001168322516 1383872538 /nfs/dbraw/zinc/87/25/38/1383872538.db2.gz DGCMQWREDBKBMU-UHFFFAOYSA-N 2 0 335.923 3.330 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001168320753 1383872602 /nfs/dbraw/zinc/87/26/02/1383872602.db2.gz NREBZYKGWCCAQQ-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC([NH+](C)C)CC1 ZINC001168327873 1383873990 /nfs/dbraw/zinc/87/39/90/1383873990.db2.gz RSJPHNIOICPTAX-OFLPRAFFSA-N 2 0 339.524 3.191 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168327105 1383874155 /nfs/dbraw/zinc/87/41/55/1383874155.db2.gz PZPCBOSZJYPDFR-UHFFFAOYSA-N 2 0 343.515 3.204 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335254 1383876173 /nfs/dbraw/zinc/87/61/73/1383876173.db2.gz DUDYPBZSLBVYRV-QWNKOJSDSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168413829 1383900114 /nfs/dbraw/zinc/90/01/14/1383900114.db2.gz BGGANBDZYNKUDF-GOSISDBHSA-N 2 0 335.511 3.158 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168433511 1383905017 /nfs/dbraw/zinc/90/50/17/1383905017.db2.gz CIMMZCRPOBRGRZ-VOTSOKGWSA-N 2 0 331.504 3.204 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CCC2CCCCC2)cc1 ZINC001168434033 1383905429 /nfs/dbraw/zinc/90/54/29/1383905429.db2.gz KHISKAVGQLACRQ-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001168594843 1383944251 /nfs/dbraw/zinc/94/42/51/1383944251.db2.gz BMGUFMQCKZRATJ-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[C@@H]([NH+](C)C)CC3)CCO2)cc1 ZINC001168624261 1383951263 /nfs/dbraw/zinc/95/12/63/1383951263.db2.gz NHYCSIYXGJOKOW-GNBUJSLZSA-N 2 0 332.488 3.378 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001168755123 1383992694 /nfs/dbraw/zinc/99/26/94/1383992694.db2.gz IOVKSMADVBCTGO-QGZVFWFLSA-N 2 0 333.520 3.309 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169081266 1384104252 /nfs/dbraw/zinc/10/42/52/1384104252.db2.gz PMZLEKCRXAWYCV-OVYGPGRDSA-N 2 0 337.508 3.037 20 0 EGADRP COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091735 1384105334 /nfs/dbraw/zinc/10/53/34/1384105334.db2.gz USUMMJDDLPIJPJ-MXASKKJJSA-N 2 0 327.472 3.337 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3cccc(Cl)c3)CC1)C2 ZINC001169119105 1384109693 /nfs/dbraw/zinc/10/96/93/1384109693.db2.gz QTYDJIDUNHEWHF-BWTSREIZSA-N 2 0 347.934 3.301 20 0 EGADRP C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124521 1384110547 /nfs/dbraw/zinc/11/05/47/1384110547.db2.gz DMDSTPXAVRFDRS-FICVDOATSA-N 2 0 327.394 3.200 20 0 EGADRP C[C@@H](C[NH2+][C@H](C)CN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC001308248973 1384112958 /nfs/dbraw/zinc/11/29/58/1384112958.db2.gz OVIXHJJXYJKFNW-RTBURBONSA-N 2 0 345.575 3.388 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH+]3CCc4ccccc4C3)CC1)C2 ZINC001169143391 1384113302 /nfs/dbraw/zinc/11/33/02/1384113302.db2.gz FLCQJKHAZLTRNF-KOUNCHBCSA-N 2 0 339.527 3.134 20 0 EGADRP CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144589 1384113843 /nfs/dbraw/zinc/11/38/43/1384113843.db2.gz KDCFGPDVQGVACF-JSXRDJHFSA-N 2 0 327.516 3.208 20 0 EGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148100 1384114779 /nfs/dbraw/zinc/11/47/79/1384114779.db2.gz YSAMTNNOEGSPCT-MXEMCNAFSA-N 2 0 327.516 3.066 20 0 EGADRP COc1cccc(OCC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169152683 1384115686 /nfs/dbraw/zinc/11/56/86/1384115686.db2.gz DHASMJLHTOWKRQ-BWTSREIZSA-N 2 0 344.499 3.411 20 0 EGADRP COC(=O)c1cccc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169162034 1384117588 /nfs/dbraw/zinc/11/75/88/1384117588.db2.gz RRNDZLUFVLLOAI-YDZRNGNQSA-N 2 0 328.456 3.235 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160917 1384117771 /nfs/dbraw/zinc/11/77/71/1384117771.db2.gz MSAJJHCQJXCFHP-HAGHYFMRSA-N 2 0 342.483 3.067 20 0 EGADRP CC[N@H+](Cc1ccccc1)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001169258200 1384128430 /nfs/dbraw/zinc/12/84/30/1384128430.db2.gz FZRCJQAYLPUYBJ-UHFFFAOYSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+]1CCC(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169262151 1384129044 /nfs/dbraw/zinc/12/90/44/1384129044.db2.gz UBULEUNIHSXGAC-UHFFFAOYSA-N 2 0 333.495 3.206 20 0 EGADRP C[NH+](C)CCCCC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169272898 1384130890 /nfs/dbraw/zinc/13/08/90/1384130890.db2.gz AHKDLWGXWMURBO-UHFFFAOYSA-N 2 0 332.488 3.476 20 0 EGADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC001308777747 1384149287 /nfs/dbraw/zinc/14/92/87/1384149287.db2.gz OCLJWGDRTSWKFK-NRSPTQNISA-N 2 0 330.516 3.354 20 0 EGADRP [NH3+]Cc1ccc2c(n1)N(c1ccc(F)c(C[NH+]3CCCC3)c1)CCC2 ZINC001169591759 1384163009 /nfs/dbraw/zinc/16/30/09/1384163009.db2.gz MOHQXAQEGIUHJG-UHFFFAOYSA-N 2 0 340.446 3.360 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001169652499 1384169033 /nfs/dbraw/zinc/16/90/33/1384169033.db2.gz PUMRPNSGINPNCZ-IRXDYDNUSA-N 2 0 327.513 3.098 20 0 EGADRP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001169664515 1384170368 /nfs/dbraw/zinc/17/03/68/1384170368.db2.gz OAHYHCIQEBMFPK-MJGOQNOKSA-N 2 0 347.503 3.094 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169720918 1384178487 /nfs/dbraw/zinc/17/84/87/1384178487.db2.gz LXWJQOHDHROWKZ-FQEVSTJZSA-N 2 0 343.515 3.003 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729710 1384179679 /nfs/dbraw/zinc/17/96/79/1384179679.db2.gz UYRFALPFLFMYTN-ICSRJNTNSA-N 2 0 343.515 3.145 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001169798646 1384186986 /nfs/dbraw/zinc/18/69/86/1384186986.db2.gz PIZLMXLHTJRREN-XLIONFOSSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)C1 ZINC001170145896 1384249125 /nfs/dbraw/zinc/24/91/25/1384249125.db2.gz WUZRDQUUGFMOMR-ICSRJNTNSA-N 2 0 343.515 3.185 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001311434886 1384282916 /nfs/dbraw/zinc/28/29/16/1384282916.db2.gz UOGHIZUHXHHHSI-KRWDZBQOSA-N 2 0 340.556 3.061 20 0 EGADRP C[NH+](C)CCCOc1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cn1 ZINC001170450614 1384322577 /nfs/dbraw/zinc/32/25/77/1384322577.db2.gz CLJMCURPQPFVQJ-UHFFFAOYSA-N 2 0 348.535 3.475 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001170784819 1384384313 /nfs/dbraw/zinc/38/43/13/1384384313.db2.gz LKJJBBAIHMERME-LJQANCHMSA-N 2 0 349.494 3.076 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001170863216 1384400759 /nfs/dbraw/zinc/40/07/59/1384400759.db2.gz TZVDXXNLAGFMOK-QWFCFKBJSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861908 1384400822 /nfs/dbraw/zinc/40/08/22/1384400822.db2.gz IASZSKFKSCKRJI-YQVWRLOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861315 1384401008 /nfs/dbraw/zinc/40/10/08/1384401008.db2.gz CEWLSRJWMJUPSW-JFIYKMOQSA-N 2 0 325.541 3.027 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170868182 1384401667 /nfs/dbraw/zinc/40/16/67/1384401667.db2.gz QJZMLWYGQFINLM-IBGZPJMESA-N 2 0 333.520 3.212 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170872625 1384402334 /nfs/dbraw/zinc/40/23/34/1384402334.db2.gz YHNVPLJMSKWWDG-FGTMMUONSA-N 2 0 325.541 3.172 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cncc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC001170903419 1384407939 /nfs/dbraw/zinc/40/79/39/1384407939.db2.gz JQXCJBTYBQZPBJ-HNNXBMFYSA-N 2 0 340.349 3.083 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC001170961633 1384418870 /nfs/dbraw/zinc/41/88/70/1384418870.db2.gz QTVBYNRVQVRSRA-LLMJNHHCSA-N 2 0 336.454 3.403 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171069296 1384440340 /nfs/dbraw/zinc/44/03/40/1384440340.db2.gz NXUSEBOKMBALJA-XDIYQJDNSA-N 2 0 343.531 3.287 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171069827 1384441062 /nfs/dbraw/zinc/44/10/62/1384441062.db2.gz VSWSGDFYJRNEIJ-SJORKVTESA-N 2 0 345.547 3.367 20 0 EGADRP C[NH+](C)/C=C/c1ccncc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171097827 1384445493 /nfs/dbraw/zinc/44/54/93/1384445493.db2.gz CXRVFKGZETXFLF-TYZQSYOASA-N 2 0 332.451 3.374 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171120975 1384449788 /nfs/dbraw/zinc/44/97/88/1384449788.db2.gz QLVKOUKRYPYMHB-UYAOXDASSA-N 2 0 345.531 3.326 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1 ZINC001171173415 1384460395 /nfs/dbraw/zinc/46/03/95/1384460395.db2.gz CESIIKNRFRMZLU-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235678 1384476565 /nfs/dbraw/zinc/47/65/65/1384476565.db2.gz INUXCZIDGYXLAQ-ROUUACIJSA-N 2 0 339.568 3.418 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171248944 1384478885 /nfs/dbraw/zinc/47/88/85/1384478885.db2.gz ZFQPEWPFPJJBJA-QZTJIDSGSA-N 2 0 325.541 3.314 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3c(F)cccc3C2)cc1 ZINC001171397654 1384512802 /nfs/dbraw/zinc/51/28/02/1384512802.db2.gz RGYDFKLLZHWYEJ-GOSISDBHSA-N 2 0 342.458 3.413 20 0 EGADRP [NH3+]C[C@H]1COc2ccccc2N1c1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001171398243 1384512859 /nfs/dbraw/zinc/51/28/59/1384512859.db2.gz SKXPEDNTRVFOOR-KRWDZBQOSA-N 2 0 341.430 3.279 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CCc4c(F)cccc4C3)CC2)cc[nH+]1 ZINC001171445016 1384524961 /nfs/dbraw/zinc/52/49/61/1384524961.db2.gz HKCOZTSYMSEZIR-KRWDZBQOSA-N 2 0 325.431 3.209 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171506500 1384544969 /nfs/dbraw/zinc/54/49/69/1384544969.db2.gz YTURLXQXNWITAE-AWEZNQCLSA-N 2 0 326.406 3.283 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCc1ccccc1)[NH+](C)C ZINC001171508541 1384545822 /nfs/dbraw/zinc/54/58/22/1384545822.db2.gz FKNNPVOXJVMSSB-AZUAARDMSA-N 2 0 347.547 3.224 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171510100 1384547417 /nfs/dbraw/zinc/54/74/17/1384547417.db2.gz YJPJYDWLQVNFDI-AQRBRUGDSA-N 2 0 325.541 3.338 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171539976 1384557153 /nfs/dbraw/zinc/55/71/53/1384557153.db2.gz WLYCWHLXVFCYHZ-QFBILLFUSA-N 2 0 349.494 3.075 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001171585961 1384572644 /nfs/dbraw/zinc/57/26/44/1384572644.db2.gz GHIUMIBQTZHWEP-CQSZACIVSA-N 2 0 347.494 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]CCCF)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618654 1384581446 /nfs/dbraw/zinc/58/14/46/1384581446.db2.gz LUJWPKPYDLZPOT-MRXNPFEDSA-N 2 0 343.531 3.264 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC1(C)C ZINC001171625763 1384584252 /nfs/dbraw/zinc/58/42/52/1384584252.db2.gz NHQIPYZQCSCXCQ-MRXNPFEDSA-N 2 0 335.536 3.019 20 0 EGADRP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643858 1384590398 /nfs/dbraw/zinc/59/03/98/1384590398.db2.gz WYXJHFHWHWRLJS-XIRDDKMYSA-N 2 0 336.520 3.301 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171870787 1384666700 /nfs/dbraw/zinc/66/67/00/1384666700.db2.gz UWZOLNIAPVTVTC-AZUAARDMSA-N 2 0 343.515 3.003 20 0 EGADRP CC(C)(C)OC(=O)C1CCC([NH+]2CCC([NH3+])(CC3CC3)CC2)CC1 ZINC001171916965 1384680390 /nfs/dbraw/zinc/68/03/90/1384680390.db2.gz IIASJWJTNWAHMW-UHFFFAOYSA-N 2 0 336.520 3.480 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171923990 1384684122 /nfs/dbraw/zinc/68/41/22/1384684122.db2.gz LGLGVTYNPYUSJD-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCF)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171924729 1384684141 /nfs/dbraw/zinc/68/41/41/1384684141.db2.gz SXEAKEOMGSVUPO-KRWDZBQOSA-N 2 0 343.531 3.123 20 0 EGADRP CC1(C)C[C@@H](NCC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171965817 1384697044 /nfs/dbraw/zinc/69/70/44/1384697044.db2.gz JOUKOTXCWVMXLJ-IBGZPJMESA-N 2 0 343.515 3.078 20 0 EGADRP CC1(C)C[C@H]([NH2+]C2(CO)CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171974642 1384700759 /nfs/dbraw/zinc/70/07/59/1384700759.db2.gz IOYNWPLTRNSGMK-GOSISDBHSA-N 2 0 348.556 3.277 20 0 EGADRP CN1CCC[C@@H]2C[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171985856 1384704225 /nfs/dbraw/zinc/70/42/25/1384704225.db2.gz CKRABAWVDXKMTQ-HKBOAZHASA-N 2 0 341.543 3.456 20 0 EGADRP C[NH+](C)[C@@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985530 1384704282 /nfs/dbraw/zinc/70/42/82/1384704282.db2.gz XRMDDHDBWIUWIS-WOJBJXKFSA-N 2 0 329.532 3.456 20 0 EGADRP COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062893 1384714709 /nfs/dbraw/zinc/71/47/09/1384714709.db2.gz SAQGJMDKQYFRBR-LDLYASANSA-N 2 0 344.499 3.361 20 0 EGADRP Cc1noc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172062366 1384715404 /nfs/dbraw/zinc/71/54/04/1384715404.db2.gz NHUJHEJFJYTYLP-LDLYASANSA-N 2 0 340.471 3.096 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCN2CCCCO2)C3)cc1 ZINC001172066762 1384715816 /nfs/dbraw/zinc/71/58/16/1384715816.db2.gz KDEDSEQYRHVNAI-MZADTFQBSA-N 2 0 343.515 3.189 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC([NH+]4CCCC4)C2)C3)cc1 ZINC001172074830 1384719707 /nfs/dbraw/zinc/71/97/07/1384719707.db2.gz MEBGFVIHFYPMOL-AERCQKQUSA-N 2 0 339.527 3.352 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C2 ZINC001172106566 1384728187 /nfs/dbraw/zinc/72/81/87/1384728187.db2.gz QENXXDFVAHHDKW-YVSFHVDLSA-N 2 0 342.405 3.344 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001172116027 1384731675 /nfs/dbraw/zinc/73/16/75/1384731675.db2.gz CUDYMZUHIVJSKW-LTFXXXRZSA-N 2 0 345.556 3.127 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172161234 1384740183 /nfs/dbraw/zinc/74/01/83/1384740183.db2.gz UJJWUPCJNNAPGU-DSLXNQLJSA-N 2 0 333.520 3.044 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CSc4ccccc4C3)CC2)cc[nH+]1 ZINC001172207339 1384748642 /nfs/dbraw/zinc/74/86/42/1384748642.db2.gz APRLOVQZXWRURV-GOSISDBHSA-N 2 0 325.481 3.229 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC001172247398 1384755917 /nfs/dbraw/zinc/75/59/17/1384755917.db2.gz NLXVIFQVLKFYOS-UHFFFAOYSA-N 2 0 336.907 3.462 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001172325344 1384770216 /nfs/dbraw/zinc/77/02/16/1384770216.db2.gz UNTFGHDYIHGTTD-RTBURBONSA-N 2 0 348.531 3.197 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172330393 1384771244 /nfs/dbraw/zinc/77/12/44/1384771244.db2.gz LPCVMSUKUMKEJZ-HZPDHXFCSA-N 2 0 336.524 3.135 20 0 EGADRP C[C@@H]1CC[C@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C[C@H]1C ZINC001172376250 1384779977 /nfs/dbraw/zinc/77/99/77/1384779977.db2.gz UFLQMEFNPJUELO-KURKYZTESA-N 2 0 330.520 3.162 20 0 EGADRP CC[C@H](CC(C)C)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001172398015 1384784463 /nfs/dbraw/zinc/78/44/63/1384784463.db2.gz MRYQTYOKYBHVPH-GOSISDBHSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@@H](C)CCOC(C)C ZINC001172456522 1384796843 /nfs/dbraw/zinc/79/68/43/1384796843.db2.gz OPZTTZZDMTXGQS-IBGZPJMESA-N 2 0 329.573 3.176 20 0 EGADRP CC(C)COCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172467565 1384799253 /nfs/dbraw/zinc/79/92/53/1384799253.db2.gz LORYQJIZJJWUGK-GOSISDBHSA-N 2 0 333.520 3.334 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001172606726 1384817712 /nfs/dbraw/zinc/81/77/12/1384817712.db2.gz VGFXKWHJXLNUMW-RBUKOAKNSA-N 2 0 336.520 3.210 20 0 EGADRP CCCC[C@@H]1C[C@@H]([N@H+](C)C[C@@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172638129 1384824156 /nfs/dbraw/zinc/82/41/56/1384824156.db2.gz UOPNPPGOAASJPQ-YESZJQIVSA-N 2 0 341.540 3.471 20 0 EGADRP CC1(C)CC([NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655645 1384826609 /nfs/dbraw/zinc/82/66/09/1384826609.db2.gz APNZAHIQXIUZDA-ROUUACIJSA-N 2 0 343.515 3.181 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1)CC(C)(C)CC[NH3+] ZINC001172664410 1384830116 /nfs/dbraw/zinc/83/01/16/1384830116.db2.gz ODPULWABRQYKNO-HKUYNNGSSA-N 2 0 345.531 3.168 20 0 EGADRP COC(=O)N1CCC([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001172734437 1384840254 /nfs/dbraw/zinc/84/02/54/1384840254.db2.gz OJLPRSAFELQMHL-UHFFFAOYSA-N 2 0 327.513 3.276 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172751785 1384843632 /nfs/dbraw/zinc/84/36/32/1384843632.db2.gz LMVPWMFIZIXNKA-KRWDZBQOSA-N 2 0 347.503 3.004 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001172782907 1384851669 /nfs/dbraw/zinc/85/16/69/1384851669.db2.gz RQKWNBVOYRDRKG-OALUTQOASA-N 2 0 344.499 3.144 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001172782909 1384851844 /nfs/dbraw/zinc/85/18/44/1384851844.db2.gz RQKWNBVOYRDRKG-RBUKOAKNSA-N 2 0 344.499 3.144 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(N3CC[NH+](C)CC3)c1)CC2 ZINC001172826955 1384859516 /nfs/dbraw/zinc/85/95/16/1384859516.db2.gz YHRSXPZTDUSSAS-JOCHJYFZSA-N 2 0 349.522 3.394 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001173101975 1384915004 /nfs/dbraw/zinc/91/50/04/1384915004.db2.gz RGGKLNSGXDYBJR-JLYIEGTKSA-N 2 0 339.524 3.285 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001173110444 1384916768 /nfs/dbraw/zinc/91/67/68/1384916768.db2.gz SEJWNSYPDUPKAT-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP CCn1ncc2c1[C@H](COC)C[N@@H+](C1CCC([NH+](CC)CC)CC1)C2 ZINC001173112277 1384916892 /nfs/dbraw/zinc/91/68/92/1384916892.db2.gz ZLQPRIYENYDBEG-VIQWUECVSA-N 2 0 348.535 3.102 20 0 EGADRP CCc1nc(C2CC[NH+](C3CCC([NH+](CC)CC)CC3)CC2)no1 ZINC001173113150 1384917961 /nfs/dbraw/zinc/91/79/61/1384917961.db2.gz JHJVYZCGXYSJIU-UHFFFAOYSA-N 2 0 334.508 3.464 20 0 EGADRP c1nc2c(s1)C[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC001173121175 1384918611 /nfs/dbraw/zinc/91/86/11/1384918611.db2.gz JILQZDJTUZUGJH-KRWDZBQOSA-N 2 0 327.497 3.386 20 0 EGADRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173126711 1384918993 /nfs/dbraw/zinc/91/89/93/1384918993.db2.gz QMCQUEARXLGTIF-MRXNPFEDSA-N 2 0 345.487 3.176 20 0 EGADRP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173125786 1384919460 /nfs/dbraw/zinc/91/94/60/1384919460.db2.gz HSGCFFPYJZFRGP-HNNXBMFYSA-N 2 0 345.487 3.176 20 0 EGADRP CC(C)(C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2ncsc2C1 ZINC001173135531 1384921040 /nfs/dbraw/zinc/92/10/40/1384921040.db2.gz MWIXRKABZHYQGR-CABCVRRESA-N 2 0 349.544 3.012 20 0 EGADRP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001173250288 1384945485 /nfs/dbraw/zinc/94/54/85/1384945485.db2.gz RKUQPCAVFPARCG-YYWHXJBOSA-N 2 0 330.516 3.413 20 0 EGADRP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC001173269778 1384947907 /nfs/dbraw/zinc/94/79/07/1384947907.db2.gz XTORMEUTZNNEOR-VMXMFDLUSA-N 2 0 333.564 3.494 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001173444776 1384972036 /nfs/dbraw/zinc/97/20/36/1384972036.db2.gz JKUYZSIJGGRZPJ-INIZCTEOSA-N 2 0 326.525 3.456 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001173445261 1384972075 /nfs/dbraw/zinc/97/20/75/1384972075.db2.gz XQDMNZROQCQSDN-QGZVFWFLSA-N 2 0 332.488 3.144 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([N@H+](CCC[NH3+])C1CCCCC1)CC2 ZINC001173599627 1384985037 /nfs/dbraw/zinc/98/50/37/1384985037.db2.gz PTLAGPDBSUIPSN-FDYSRKEFSA-N 2 0 336.520 3.482 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001173622961 1384990707 /nfs/dbraw/zinc/99/07/07/1384990707.db2.gz PCCAYBUMXLKGLN-BHIYHBOVSA-N 2 0 332.488 3.391 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[N@H+](CCC[NH3+])C2CCCCC2)cc1 ZINC001173709647 1385006385 /nfs/dbraw/zinc/00/63/85/1385006385.db2.gz PKSFVDIFXYQYQR-MRXNPFEDSA-N 2 0 332.488 3.388 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C)c(C)c1C ZINC001317271347 1385041980 /nfs/dbraw/zinc/04/19/80/1385041980.db2.gz YVCBTCFCHVMHTO-CQSZACIVSA-N 2 0 347.547 3.165 20 0 EGADRP O[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001335893922 1388962821 /nfs/dbraw/zinc/96/28/21/1388962821.db2.gz XECJHGXRXQHIIU-NRFANRHFSA-N 2 0 330.516 3.224 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001317356770 1385102667 /nfs/dbraw/zinc/10/26/67/1385102667.db2.gz OPGUHHFCCWBKCY-VQTJNVASSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H](c1cccc2ccccc21)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317443199 1385144492 /nfs/dbraw/zinc/14/44/92/1385144492.db2.gz NASGUYNYBATUOA-UZLBHIALSA-N 2 0 339.483 3.043 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)c1cccc2ccccc21 ZINC001317467422 1385160238 /nfs/dbraw/zinc/16/02/38/1385160238.db2.gz DQNGZJMTDAIGDS-KRWDZBQOSA-N 2 0 341.499 3.291 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928041 1385170952 /nfs/dbraw/zinc/17/09/52/1385170952.db2.gz IYYXWLGUTMVEES-INIZCTEOSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1ccccc1C ZINC001317490116 1385189896 /nfs/dbraw/zinc/18/98/96/1385189896.db2.gz VHFNDCPTFUWXGC-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1)[NH+](C)C ZINC001175107685 1385196087 /nfs/dbraw/zinc/19/60/87/1385196087.db2.gz OTADFRGXIZAHTG-UYAOXDASSA-N 2 0 347.547 3.080 20 0 EGADRP CCOc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(F)c1F ZINC001175153322 1385206257 /nfs/dbraw/zinc/20/62/57/1385206257.db2.gz ZGODBMQRGLVLDN-UHFFFAOYSA-N 2 0 348.397 3.254 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1)[NH+](CC)CC ZINC001175218210 1385223201 /nfs/dbraw/zinc/22/32/01/1385223201.db2.gz NFYNHBSEPPZTCQ-SJLPKXTDSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC001335940738 1388971753 /nfs/dbraw/zinc/97/17/53/1388971753.db2.gz FXVOOEOBPTUZBZ-FQEVSTJZSA-N 2 0 342.483 3.056 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262648 1385233157 /nfs/dbraw/zinc/23/31/57/1385233157.db2.gz JCGJJWAJRHKBMM-QZTJIDSGSA-N 2 0 335.536 3.093 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001175262990 1385233759 /nfs/dbraw/zinc/23/37/59/1385233759.db2.gz MNPHVNTUTILHCN-RTBURBONSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175264669 1385234513 /nfs/dbraw/zinc/23/45/13/1385234513.db2.gz UJQJRNAWJUEENY-APWZRJJASA-N 2 0 343.531 3.120 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271394 1385235938 /nfs/dbraw/zinc/23/59/38/1385235938.db2.gz AYRAJLWLUVOJNJ-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175272258 1385237075 /nfs/dbraw/zinc/23/70/75/1385237075.db2.gz ITJNHFWKEOEVPO-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175565396 1385333477 /nfs/dbraw/zinc/33/34/77/1385333477.db2.gz KKAUDJSTOZWGPJ-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581918 1385339403 /nfs/dbraw/zinc/33/94/03/1385339403.db2.gz VOMYDERTMZNNAS-QGZVFWFLSA-N 2 0 343.531 3.123 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1F ZINC001317637027 1385367445 /nfs/dbraw/zinc/36/74/45/1385367445.db2.gz UWWUXLKDDFKHLV-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176022912 1385463659 /nfs/dbraw/zinc/46/36/59/1385463659.db2.gz DCMRZMXRCFMZBK-ZWKOTPCHSA-N 2 0 333.520 3.354 20 0 EGADRP c1c[nH+]c(Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)[nH]1 ZINC001176082577 1385479764 /nfs/dbraw/zinc/47/97/64/1385479764.db2.gz DLZAJIIEYXFOST-UHFFFAOYSA-N 2 0 347.466 3.471 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]C(C)C)c1ccccc1 ZINC001176120245 1385489100 /nfs/dbraw/zinc/48/91/00/1385489100.db2.gz LTTHSPWSZGCEQR-MJGOQNOKSA-N 2 0 333.520 3.352 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176166517 1385500740 /nfs/dbraw/zinc/50/07/40/1385500740.db2.gz RVWRMVLDPFZABT-MSOLQXFVSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001176165418 1385500744 /nfs/dbraw/zinc/50/07/44/1385500744.db2.gz KWCTVILLPNMQKQ-QUCCMNQESA-N 2 0 345.531 3.101 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001176166579 1385500773 /nfs/dbraw/zinc/50/07/73/1385500773.db2.gz SKDDQMZKRKELEM-ICSRJNTNSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192849 1385508187 /nfs/dbraw/zinc/50/81/87/1385508187.db2.gz OJNPQPWSUBMOCA-MRXNPFEDSA-N 2 0 334.508 3.072 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176268311 1385532404 /nfs/dbraw/zinc/53/24/04/1385532404.db2.gz IVJUAUCZQPWRBW-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176284735 1385539055 /nfs/dbraw/zinc/53/90/55/1385539055.db2.gz JROBPGOOPOJXMU-CVEARBPZSA-N 2 0 347.494 3.028 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC001176292242 1385541659 /nfs/dbraw/zinc/54/16/59/1385541659.db2.gz QWRYFQOVUSPKKO-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001176318158 1385550010 /nfs/dbraw/zinc/55/00/10/1385550010.db2.gz KWQFUJULXOUAKH-UHFFFAOYSA-N 2 0 349.494 3.018 20 0 EGADRP C[NH+](C)CCn1cc(Nc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC001176446905 1385589914 /nfs/dbraw/zinc/58/99/14/1385589914.db2.gz DETCTGHMIWCTDT-UHFFFAOYSA-N 2 0 327.476 3.174 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564194 1385626618 /nfs/dbraw/zinc/62/66/18/1385626618.db2.gz MVQVHHZYIWRBJW-HKUYNNGSSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001176591917 1385634519 /nfs/dbraw/zinc/63/45/19/1385634519.db2.gz SQXKGXIIBLATSH-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001176884373 1385731162 /nfs/dbraw/zinc/73/11/62/1385731162.db2.gz DWDXGBWNQSWGJO-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001176884921 1385731892 /nfs/dbraw/zinc/73/18/92/1385731892.db2.gz VZMPGCBYMGVVDR-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001176948375 1385752312 /nfs/dbraw/zinc/75/23/12/1385752312.db2.gz UBYXCHJAQWLICM-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318554474 1385752440 /nfs/dbraw/zinc/75/24/40/1385752440.db2.gz IFGBLEVVNPWDAG-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001176992075 1385765715 /nfs/dbraw/zinc/76/57/15/1385765715.db2.gz IKPVQTRAQNMBEN-QUCCMNQESA-N 2 0 345.531 3.335 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cc(C)ccc2C)CCCC1 ZINC001318662852 1385822540 /nfs/dbraw/zinc/82/25/40/1385822540.db2.gz ADXUKMUYSRVZAF-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001177317301 1385911852 /nfs/dbraw/zinc/91/18/52/1385911852.db2.gz UABHPTVOBUKDNG-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177317972 1385911934 /nfs/dbraw/zinc/91/19/34/1385911934.db2.gz PWYJMAHUBLTWCL-BQYQJAHWSA-N 2 0 335.492 3.187 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001177317385 1385912460 /nfs/dbraw/zinc/91/24/60/1385912460.db2.gz VVLANKHYEYBVQQ-IBGZPJMESA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177332711 1385917299 /nfs/dbraw/zinc/91/72/99/1385917299.db2.gz QKHSJYSAOLRKPD-LJQANCHMSA-N 2 0 345.531 3.418 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001177345262 1385922639 /nfs/dbraw/zinc/92/26/39/1385922639.db2.gz XWCSGKFCOUXKGF-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001177376153 1385934493 /nfs/dbraw/zinc/93/44/93/1385934493.db2.gz XKWJXWUPBYMBHO-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+](CC)CC ZINC001177446187 1385959070 /nfs/dbraw/zinc/95/90/70/1385959070.db2.gz XCQMHKUWAGXMPZ-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177456706 1385963133 /nfs/dbraw/zinc/96/31/33/1385963133.db2.gz XYJLPAPKOJFLOP-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177456669 1385963256 /nfs/dbraw/zinc/96/32/56/1385963256.db2.gz VZVCMTYXEITGAN-SFHVURJKSA-N 2 0 339.568 3.373 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001319352477 1386075059 /nfs/dbraw/zinc/07/50/59/1386075059.db2.gz WKYSJCHWIHQMFK-IBGZPJMESA-N 2 0 343.515 3.078 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001319393074 1386100742 /nfs/dbraw/zinc/10/07/42/1386100742.db2.gz IYFSCCKVEXIOIP-MRXNPFEDSA-N 2 0 327.447 3.428 20 0 EGADRP C[C@H](Cc1ccsc1)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319394418 1386101492 /nfs/dbraw/zinc/10/14/92/1386101492.db2.gz PDCAGQPBVFIUKX-MRXNPFEDSA-N 2 0 329.513 3.221 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)o1 ZINC001319394635 1386102259 /nfs/dbraw/zinc/10/22/59/1386102259.db2.gz SATSCRDILKRTGS-QGZVFWFLSA-N 2 0 341.499 3.440 20 0 EGADRP CC1(C)CC(C[NH2+]CCCCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001178502380 1386237038 /nfs/dbraw/zinc/23/70/38/1386237038.db2.gz NYQGMAHETXLHKC-IBGZPJMESA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001178693504 1386280081 /nfs/dbraw/zinc/28/00/81/1386280081.db2.gz UQNOGHPKWJARQM-MSOLQXFVSA-N 2 0 343.531 3.264 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001178693656 1386280281 /nfs/dbraw/zinc/28/02/81/1386280281.db2.gz ZUMROPCBBHVHGA-SFHVURJKSA-N 2 0 325.541 3.172 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CCC1=CCCCC1)C1CC1 ZINC001178698607 1386281226 /nfs/dbraw/zinc/28/12/26/1386281226.db2.gz NSSSOZQAENYXDB-HXUWFJFHSA-N 2 0 349.563 3.483 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698646 1386281743 /nfs/dbraw/zinc/28/17/43/1386281743.db2.gz PRKFPIUHNAEQQY-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001178815982 1386315706 /nfs/dbraw/zinc/31/57/06/1386315706.db2.gz QMEMMPIKYQXGIR-LJQANCHMSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001178878051 1386336528 /nfs/dbraw/zinc/33/65/28/1386336528.db2.gz LFLXKMWPWVRIFA-IHPCNDPISA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001179032921 1386383008 /nfs/dbraw/zinc/38/30/08/1386383008.db2.gz UCWMAQKBYWNQRP-KCVJVMPHSA-N 2 0 340.471 3.192 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(C)C ZINC001319957622 1386419067 /nfs/dbraw/zinc/41/90/67/1386419067.db2.gz QZAVVAPYNJDMTF-UXHICEINSA-N 2 0 345.531 3.136 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc4cc(F)ccc4o3)c2)CC1 ZINC001179339179 1386455574 /nfs/dbraw/zinc/45/55/74/1386455574.db2.gz XXPQDURESNNXDU-UHFFFAOYSA-N 2 0 340.402 3.331 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179383035 1386468085 /nfs/dbraw/zinc/46/80/85/1386468085.db2.gz HFYHYNTWGRLRPW-HKUYNNGSSA-N 2 0 339.568 3.419 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001179461547 1386487935 /nfs/dbraw/zinc/48/79/35/1386487935.db2.gz PLNYMWFMPVMUBH-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC/C=C\c1ccccc1 ZINC001179464118 1386488778 /nfs/dbraw/zinc/48/87/78/1386488778.db2.gz NDCCXDOBJYDUMU-ZSOIEALJSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001320072435 1386490990 /nfs/dbraw/zinc/49/09/90/1386490990.db2.gz HZVACPCTJSVQOS-YOEHRIQHSA-N 2 0 339.911 3.131 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001179499311 1386499670 /nfs/dbraw/zinc/49/96/70/1386499670.db2.gz SWCGKDHRRZTSFH-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C)[NH+](CC)CC ZINC001179525831 1386506172 /nfs/dbraw/zinc/50/61/72/1386506172.db2.gz RPLHNPJGBXVREK-ULQDDVLXSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179585413 1386522959 /nfs/dbraw/zinc/52/29/59/1386522959.db2.gz GZCSUOBBLRKKQB-UYAOXDASSA-N 2 0 349.563 3.341 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179585447 1386522994 /nfs/dbraw/zinc/52/29/94/1386522994.db2.gz HZXPWSOYFIHDSO-OALUTQOASA-N 2 0 339.568 3.277 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCCC2CCC2)C1 ZINC001179587207 1386524228 /nfs/dbraw/zinc/52/42/28/1386524228.db2.gz XKGAWGIGARNJJK-GOSISDBHSA-N 2 0 337.552 3.175 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179587325 1386524489 /nfs/dbraw/zinc/52/44/89/1386524489.db2.gz YLNQNHAYZGDYJH-VOFKWLDRSA-N 2 0 337.552 3.341 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)C2)[C@@H]1C ZINC001179749134 1386570603 /nfs/dbraw/zinc/57/06/03/1386570603.db2.gz ZGMHFCKDTYPAOW-JEVOJNTISA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC1 ZINC001179749721 1386571722 /nfs/dbraw/zinc/57/17/22/1386571722.db2.gz REMATIJHSHHNDE-UHFFFAOYSA-N 2 0 349.563 3.485 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001179777185 1386581725 /nfs/dbraw/zinc/58/17/25/1386581725.db2.gz PSUOCNAFSMKLIO-CHYADLBTSA-N 2 0 334.508 3.211 20 0 EGADRP CCc1cccc(C[NH2+]CCCCCCNC(=O)C[NH+](CC)CC)c1 ZINC001179846588 1386605817 /nfs/dbraw/zinc/60/58/17/1386605817.db2.gz MQGPZMMUAJQEDX-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179851032 1386607243 /nfs/dbraw/zinc/60/72/43/1386607243.db2.gz SHWJRDKFZNIFNM-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001179898889 1386622571 /nfs/dbraw/zinc/62/25/71/1386622571.db2.gz CMSYSRREGYQXDQ-XQDXJYKWSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180060495 1386683107 /nfs/dbraw/zinc/68/31/07/1386683107.db2.gz FHOWNWDZQOIENO-SFFCAUCYSA-N 2 0 337.552 3.341 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001180124510 1386704481 /nfs/dbraw/zinc/70/44/81/1386704481.db2.gz YRKKJYHNRQGQJW-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320864466 1386742316 /nfs/dbraw/zinc/74/23/16/1386742316.db2.gz WMHKWBLXOJTZOD-AZUAARDMSA-N 2 0 345.531 3.449 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321071446 1386800198 /nfs/dbraw/zinc/80/01/98/1386800198.db2.gz SCSOMZHZCNGFSR-FQEVSTJZSA-N 2 0 326.488 3.393 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001321762288 1386978871 /nfs/dbraw/zinc/97/88/71/1386978871.db2.gz VAYHUDHPMCIPAQ-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001181801082 1387057008 /nfs/dbraw/zinc/05/70/08/1387057008.db2.gz MEPPSFYHZAUECS-SLYNCCJLSA-N 2 0 349.563 3.147 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001181868877 1387067399 /nfs/dbraw/zinc/06/73/99/1387067399.db2.gz OBEHOAGFCJDEEB-UHFFFAOYSA-N 2 0 349.494 3.114 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001181997167 1387089979 /nfs/dbraw/zinc/08/99/79/1387089979.db2.gz GCWNXQLPYFKSFF-LJQANCHMSA-N 2 0 329.488 3.309 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182590778 1387193094 /nfs/dbraw/zinc/19/30/94/1387193094.db2.gz SZTHSBKAOLUIJR-DUFJLWIISA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629872 1387198796 /nfs/dbraw/zinc/19/87/96/1387198796.db2.gz MWISGXSGYGJYAW-BWPKTWLJSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329462801 1389119118 /nfs/dbraw/zinc/11/91/18/1389119118.db2.gz ZUFWZSZBBDDUPN-QFBILLFUSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336739477 1389152179 /nfs/dbraw/zinc/15/21/79/1389152179.db2.gz NUCRTWGOEFIIJT-RXVVDRJESA-N 2 0 326.484 3.063 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336739986 1389152279 /nfs/dbraw/zinc/15/22/79/1389152279.db2.gz SAKGIMZOCAKHCY-CZUORRHYSA-N 2 0 330.394 3.059 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001330202835 1389339260 /nfs/dbraw/zinc/33/92/60/1389339260.db2.gz NULMGWQBKIJITH-LJQANCHMSA-N 2 0 327.472 3.238 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001698725662 1406375244 /nfs/dbraw/zinc/37/52/44/1406375244.db2.gz NFHMURSXMPLNDC-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001698727006 1406377576 /nfs/dbraw/zinc/37/75/76/1406377576.db2.gz ONCROOJYZOAZET-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@]([NH3+])(C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC001330992131 1389590074 /nfs/dbraw/zinc/59/00/74/1389590074.db2.gz UVLQYFVBUNAKBP-NRFANRHFSA-N 2 0 337.467 3.485 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC001331417474 1389739411 /nfs/dbraw/zinc/73/94/11/1389739411.db2.gz BHLYOLWXFLHXRH-OAHLLOKOSA-N 2 0 344.503 3.401 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001331614121 1389828922 /nfs/dbraw/zinc/82/89/22/1389828922.db2.gz VUABHAANPQVCNE-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP [NH3+]CC1CCC([NH2+]CCc2ccc(Br)cc2F)CC1 ZINC001331820361 1389879220 /nfs/dbraw/zinc/87/92/20/1389879220.db2.gz HUYQOKNTPRVCGK-UHFFFAOYSA-N 2 0 329.257 3.238 20 0 EGADRP Cc1c(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)ccc2c[nH+]cn21 ZINC001332009169 1389943408 /nfs/dbraw/zinc/94/34/08/1389943408.db2.gz FLTGQPQECLSWNT-GOSISDBHSA-N 2 0 348.450 3.166 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2nccnc2C[NH3+])C1 ZINC001339535037 1390058523 /nfs/dbraw/zinc/05/85/23/1390058523.db2.gz DSSMPOVZRVPCNE-IYBDPMFKSA-N 2 0 339.487 3.025 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]CC1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001332811696 1390192401 /nfs/dbraw/zinc/19/24/01/1390192401.db2.gz WDUGFQXVXIHSHT-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1c(C(=O)N[C@@H](C[NH2+]CC2CCC2)C(C)(C)C)ccc2c[nH+]cn21 ZINC001332827508 1390196060 /nfs/dbraw/zinc/19/60/60/1390196060.db2.gz YUSLZSWWKJOTJZ-SFHVURJKSA-N 2 0 342.487 3.177 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C(C)(C)C ZINC001332839587 1390197879 /nfs/dbraw/zinc/19/78/79/1390197879.db2.gz YGWYEXXQJOXNLA-LJQANCHMSA-N 2 0 347.547 3.181 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001332885854 1390209353 /nfs/dbraw/zinc/20/93/53/1390209353.db2.gz SBOMXYFYTOMEBD-SFHVURJKSA-N 2 0 347.503 3.219 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccncc2Br)CC1 ZINC001333369509 1390291140 /nfs/dbraw/zinc/29/11/40/1390291140.db2.gz VTOFUNQEKLSVMF-UHFFFAOYSA-N 2 0 340.309 3.444 20 0 EGADRP C[NH+]1CCC(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC001333710486 1390380167 /nfs/dbraw/zinc/38/01/67/1390380167.db2.gz LAUUERREHYIXFU-UHFFFAOYSA-N 2 0 336.907 3.320 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340871566 1390390182 /nfs/dbraw/zinc/39/01/82/1390390182.db2.gz IJOHFSMLHUTTTP-JFIYKMOQSA-N 2 0 345.531 3.023 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH2+]CC1CCCCC1 ZINC001698775608 1406439044 /nfs/dbraw/zinc/43/90/44/1406439044.db2.gz QOOHIJWSANKYBZ-KRWDZBQOSA-N 2 0 345.531 3.284 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC001342348128 1390603555 /nfs/dbraw/zinc/60/35/55/1390603555.db2.gz MEDUZYQZFPIHTI-QGZVFWFLSA-N 2 0 347.503 3.126 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCC(F)F)C[C@@H]2C1 ZINC001343335354 1390707855 /nfs/dbraw/zinc/70/78/55/1390707855.db2.gz XCUXQZCMWHKZIE-HYVNUMGLSA-N 2 0 338.442 3.493 20 0 EGADRP Cc1nc(N2CCCCC2)sc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001343338387 1390708136 /nfs/dbraw/zinc/70/81/36/1390708136.db2.gz ZSVVUGMNHVGTFI-MRXNPFEDSA-N 2 0 336.549 3.262 20 0 EGADRP Clc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001345105100 1390837632 /nfs/dbraw/zinc/83/76/32/1390837632.db2.gz PSCYLLABXREQBK-INIZCTEOSA-N 2 0 330.863 3.494 20 0 EGADRP CC(C)c1cn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(=S)n1C ZINC001345107530 1390837896 /nfs/dbraw/zinc/83/78/96/1390837896.db2.gz BBZGPXPBOOUXBE-ARFHVFGLSA-N 2 0 336.549 3.299 20 0 EGADRP CC[C@]1(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC[NH2+]C1 ZINC001345767028 1390883741 /nfs/dbraw/zinc/88/37/41/1390883741.db2.gz BJQVDOBJMRGYIE-PXNSSMCTSA-N 2 0 343.515 3.156 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@@H]2C1 ZINC001352113163 1391761013 /nfs/dbraw/zinc/76/10/13/1391761013.db2.gz QAOGMNMSKOFNBU-SDDRHHMPSA-N 2 0 333.423 3.324 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001479896081 1392464888 /nfs/dbraw/zinc/46/48/88/1392464888.db2.gz IJVLSTLRDGGGEN-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1)CC(C)(C)C ZINC001479910339 1392477737 /nfs/dbraw/zinc/47/77/37/1392477737.db2.gz RXAXJZKZXNSARS-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001479915261 1392482866 /nfs/dbraw/zinc/48/28/66/1392482866.db2.gz ORERBYGRZBUYMG-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001480304295 1392668306 /nfs/dbraw/zinc/66/83/06/1392668306.db2.gz XEEDUJRHXUAQQL-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001480382165 1392725840 /nfs/dbraw/zinc/72/58/40/1392725840.db2.gz HQLNYJAQPOVVAB-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)CNC(=O)c2ccc(C[NH+](C)C)cc2)cs1 ZINC001480553566 1392790544 /nfs/dbraw/zinc/79/05/44/1392790544.db2.gz FBNWUACBHUTTTQ-CQSZACIVSA-N 2 0 345.512 3.026 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480614243 1392819731 /nfs/dbraw/zinc/81/97/31/1392819731.db2.gz WDSHELDHSSSBAD-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C/Cl)C2)c1 ZINC001480710246 1392872954 /nfs/dbraw/zinc/87/29/54/1392872954.db2.gz PLBGAUYSQLFPCU-WHCFMWMQSA-N 2 0 349.906 3.131 20 0 EGADRP Cc1ccc(C[N@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)c(C)c1 ZINC001480947640 1393040001 /nfs/dbraw/zinc/04/00/01/1393040001.db2.gz CTCWWNLBGDWDCG-UHFFFAOYSA-N 2 0 345.531 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)Cc1cc(C)cc(C)c1 ZINC001480979461 1393063667 /nfs/dbraw/zinc/06/36/67/1393063667.db2.gz JRHMJGMBDGFWFQ-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1cccc(F)c1 ZINC001480979438 1393064491 /nfs/dbraw/zinc/06/44/91/1393064491.db2.gz JEPGMIDTUDLVFG-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccccc1C ZINC001481149775 1393134791 /nfs/dbraw/zinc/13/47/91/1393134791.db2.gz LOWQRCTVLJFBBJ-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001481287826 1393158822 /nfs/dbraw/zinc/15/88/22/1393158822.db2.gz ORKVBVRYOZGMMM-QFBILLFUSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001490606063 1394280305 /nfs/dbraw/zinc/28/03/05/1394280305.db2.gz PYWGPYCRGZHKTG-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001490617788 1394284601 /nfs/dbraw/zinc/28/46/01/1394284601.db2.gz QILZSIJRWADXBL-GOSISDBHSA-N 2 0 325.541 3.076 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001481443935 1394296904 /nfs/dbraw/zinc/29/69/04/1394296904.db2.gz HNSAOGPNFDIDJY-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481740966 1394487106 /nfs/dbraw/zinc/48/71/06/1394487106.db2.gz GXSYAKWNLOGIQX-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP CCc1ccc(C[N@H+]2CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C2)cc1 ZINC001481773164 1394517092 /nfs/dbraw/zinc/51/70/92/1394517092.db2.gz PWBNYKROHPWTMB-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001482024698 1394683081 /nfs/dbraw/zinc/68/30/81/1394683081.db2.gz HZZXSMZDJNLEBN-SNRMKQJTSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001484014719 1395187582 /nfs/dbraw/zinc/18/75/82/1395187582.db2.gz QEHFPUWKXHMZGB-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP CCC(CC)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001484114296 1395259268 /nfs/dbraw/zinc/25/92/68/1395259268.db2.gz FYHBKXWWBHCNHB-HXUWFJFHSA-N 2 0 339.568 3.229 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CC3CCCCC3)C2)CCC1 ZINC001484161809 1395295974 /nfs/dbraw/zinc/29/59/74/1395295974.db2.gz ZKFVTBGYSQWLQP-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484172564 1395315120 /nfs/dbraw/zinc/31/51/20/1395315120.db2.gz GFXWZRKJDNHLCT-AZUAARDMSA-N 2 0 339.568 3.227 20 0 EGADRP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CCC([NH2+]CCC2CC2)CC1 ZINC001485241959 1395735796 /nfs/dbraw/zinc/73/57/96/1395735796.db2.gz SRWDJLGQNFODPD-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC1CCCCCC1)C2 ZINC001485667137 1396095053 /nfs/dbraw/zinc/09/50/53/1396095053.db2.gz YZTMYCFMBNONTO-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001485714208 1396114057 /nfs/dbraw/zinc/11/40/57/1396114057.db2.gz BVSZHDBQNPATRN-FXAWDEMLSA-N 2 0 345.531 3.279 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001485959730 1396173997 /nfs/dbraw/zinc/17/39/97/1396173997.db2.gz STZLXUKUZXWJFW-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185377 1396181158 /nfs/dbraw/zinc/18/11/58/1396181158.db2.gz AIBSYAJTUZDQHY-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](Cc1ccccc1)C1CC1 ZINC001493423984 1396339717 /nfs/dbraw/zinc/33/97/17/1396339717.db2.gz OITMCMYQYZSYIP-HXUWFJFHSA-N 2 0 343.515 3.030 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001494294194 1396421987 /nfs/dbraw/zinc/42/19/87/1396421987.db2.gz YBOCAHHRFIOJQO-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001497330353 1396750135 /nfs/dbraw/zinc/75/01/35/1396750135.db2.gz GZHBRQPJNFXDPC-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498044282 1396916074 /nfs/dbraw/zinc/91/60/74/1396916074.db2.gz SMFBREROGSJQEB-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690292371 1404452720 /nfs/dbraw/zinc/45/27/20/1404452720.db2.gz USLPKSDIYKGAKK-XIRDDKMYSA-N 2 0 346.519 3.042 20 0 EGADRP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001690312520 1404468897 /nfs/dbraw/zinc/46/88/97/1404468897.db2.gz UIXGXTBYVLIITM-RAFMOHDBSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001690540712 1404626810 /nfs/dbraw/zinc/62/68/10/1404626810.db2.gz YSSLQXMQTKBTLP-IVMQYODDSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC001691189191 1405127522 /nfs/dbraw/zinc/12/75/22/1405127522.db2.gz RTCNMKYBZFYWAR-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001691317581 1405203996 /nfs/dbraw/zinc/20/39/96/1405203996.db2.gz ZMZXVOMDXZVIDY-OALUTQOASA-N 2 0 331.504 3.059 20 0 EGADRP CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001691690473 1405424988 /nfs/dbraw/zinc/42/49/88/1405424988.db2.gz RYMBHOJKUADWRU-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001691866931 1405586428 /nfs/dbraw/zinc/58/64/28/1405586428.db2.gz JZMJPDNTCCIWBC-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001692274900 1405906068 /nfs/dbraw/zinc/90/60/68/1405906068.db2.gz SJHFOGIDWBBPSL-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP CCc1cccc(C[N@H+]2CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C2)c1 ZINC001698588678 1406208671 /nfs/dbraw/zinc/20/86/71/1406208671.db2.gz RXYHHJQLNPHPQO-PMACEKPBSA-N 2 0 345.531 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001698589158 1406210211 /nfs/dbraw/zinc/21/02/11/1406210211.db2.gz ZCTHWGIBRSPWLX-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](CC)c1ccccc1 ZINC001698599623 1406224927 /nfs/dbraw/zinc/22/49/27/1406224927.db2.gz GATYWKHWWDMVRK-QZTJIDSGSA-N 2 0 331.504 3.106 20 0 EGADRP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]C[C@@H](C)CC(C)C ZINC001698604478 1406231179 /nfs/dbraw/zinc/23/11/79/1406231179.db2.gz OQWGYWXHOJMSLM-DOTOQJQBSA-N 2 0 344.503 3.423 20 0 EGADRP C[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001732052065 1428292910 /nfs/dbraw/zinc/29/29/10/1428292910.db2.gz CLROBYKZRSPFCY-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001732280788 1428512490 /nfs/dbraw/zinc/51/24/90/1428512490.db2.gz DOAOTSMHDNUXOH-MOPGFXCFSA-N 2 0 345.531 3.308 20 0 EGADRP O=C(NCC1([NH2+]CC2CC2)CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732395491 1428563082 /nfs/dbraw/zinc/56/30/82/1428563082.db2.gz PIGFUZGBUAUMMY-LJQANCHMSA-N 2 0 347.547 3.212 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001732485281 1428608673 /nfs/dbraw/zinc/60/86/73/1428608673.db2.gz HWIZAOQNNUGTAT-AEFFLSMTSA-N 2 0 339.568 3.227 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccc(C(C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001699172422 1412551053 /nfs/dbraw/zinc/55/10/53/1412551053.db2.gz DFYWIWMXPHAIBH-XLIONFOSSA-N 2 0 345.531 3.403 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001699676536 1413070548 /nfs/dbraw/zinc/07/05/48/1413070548.db2.gz UWMAIXSWAYBBBN-GOSISDBHSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)CC1 ZINC001699701448 1413114959 /nfs/dbraw/zinc/11/49/59/1413114959.db2.gz FCBBYUAREVFWPO-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001699773907 1413182368 /nfs/dbraw/zinc/18/23/68/1413182368.db2.gz IBVJQOULXVBKKG-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001699826458 1413253427 /nfs/dbraw/zinc/25/34/27/1413253427.db2.gz LYCOOARKQNKFGC-HXUWFJFHSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001699854271 1413284777 /nfs/dbraw/zinc/28/47/77/1413284777.db2.gz PMPJKVFZMIWBFI-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001699877379 1413338208 /nfs/dbraw/zinc/33/82/08/1413338208.db2.gz WRKFJUWRYOOYBA-NQIIRXRSSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001700223585 1413672664 /nfs/dbraw/zinc/67/26/64/1413672664.db2.gz ZUASXELLIPSZCI-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001700436960 1414004590 /nfs/dbraw/zinc/00/45/90/1414004590.db2.gz VRGPNTWGCFHAQT-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CCC2CCCC2)C1 ZINC001732589162 1428806833 /nfs/dbraw/zinc/80/68/33/1428806833.db2.gz FMNXWOISPVHTKX-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CN(CC[N@H+](C)Cc1cccc2ccccc21)C(=O)CCC[NH+](C)C ZINC001732590097 1428811162 /nfs/dbraw/zinc/81/11/62/1428811162.db2.gz LBWZYKHRNKHORK-UHFFFAOYSA-N 2 0 341.499 3.072 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001700823609 1414479133 /nfs/dbraw/zinc/47/91/33/1414479133.db2.gz OSQFDRPCIRTUBC-OXQOHEQNSA-N 2 0 345.531 3.377 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(F)c2)[C@@H]1C ZINC001700887652 1414546382 /nfs/dbraw/zinc/54/63/82/1414546382.db2.gz JZHFUWJBKBXHPH-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(F)c2)[C@H]1C ZINC001700887656 1414546771 /nfs/dbraw/zinc/54/67/71/1414546771.db2.gz JZHFUWJBKBXHPH-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)N(CC[N@H+](C)CCC1=CCCCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001700974704 1414606729 /nfs/dbraw/zinc/60/67/29/1414606729.db2.gz LBLJICJHVRUIPQ-LJQANCHMSA-N 2 0 335.536 3.140 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001732628136 1428890401 /nfs/dbraw/zinc/89/04/01/1428890401.db2.gz UCVAZMZNCASMCY-UXHICEINSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC001733012556 1429131744 /nfs/dbraw/zinc/13/17/44/1429131744.db2.gz VVWBRHCLQSCLDC-JQFCIGGWSA-N 2 0 339.911 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001733020568 1429139876 /nfs/dbraw/zinc/13/98/76/1429139876.db2.gz MNTZGXXCPPFCMR-DLBZAZTESA-N 2 0 347.547 3.481 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001707447364 1417350982 /nfs/dbraw/zinc/35/09/82/1417350982.db2.gz QSVPJBZKRCSYGD-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2)C1CCC1 ZINC001713093993 1417642222 /nfs/dbraw/zinc/64/22/22/1417642222.db2.gz BGGZYUAGLOLLEE-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713173548 1417746284 /nfs/dbraw/zinc/74/62/84/1417746284.db2.gz IHWVQRWZEAMMHI-VDGAXYAQSA-N 2 0 345.531 3.450 20 0 EGADRP CCc1ccccc1C[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001713257116 1417859055 /nfs/dbraw/zinc/85/90/55/1417859055.db2.gz VKIGYTDTYZAXRI-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001713364693 1417978004 /nfs/dbraw/zinc/97/80/04/1417978004.db2.gz VNTMIICKJORAOF-RBUKOAKNSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001713364694 1417978092 /nfs/dbraw/zinc/97/80/92/1417978092.db2.gz VNTMIICKJORAOF-RTBURBONSA-N 2 0 343.515 3.062 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001713398923 1418019277 /nfs/dbraw/zinc/01/92/77/1418019277.db2.gz AUMIYOLFRJZBSO-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001713465511 1418128664 /nfs/dbraw/zinc/12/86/64/1418128664.db2.gz VVLRBLMSXFQDJT-QGZVFWFLSA-N 2 0 345.531 3.261 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)c1ccc2ccccc2c1 ZINC001713474015 1418150915 /nfs/dbraw/zinc/15/09/15/1418150915.db2.gz DPJUIARDHHUZNR-QGZVFWFLSA-N 2 0 341.499 3.291 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)Cc1ccccc1 ZINC001713497572 1418210618 /nfs/dbraw/zinc/21/06/18/1418210618.db2.gz RSFVLAPNEUFKOG-FQEVSTJZSA-N 2 0 345.531 3.135 20 0 EGADRP CCCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001713721928 1418495723 /nfs/dbraw/zinc/49/57/23/1418495723.db2.gz BDPDWNILOATFEB-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001713759288 1418565823 /nfs/dbraw/zinc/56/58/23/1418565823.db2.gz JUFDOVROXSXXON-RBUKOAKNSA-N 2 0 345.531 3.178 20 0 EGADRP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001713972505 1418751223 /nfs/dbraw/zinc/75/12/23/1418751223.db2.gz ZNOJQQORYPCYSP-RAFMOHDBSA-N 2 0 347.547 3.329 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)CC)C2)cc1 ZINC001714020791 1418803182 /nfs/dbraw/zinc/80/31/82/1418803182.db2.gz KFDUCYZVGNEDRI-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1cccc(C)c1 ZINC001714117001 1418920616 /nfs/dbraw/zinc/92/06/16/1418920616.db2.gz XAOPEANUFRSPPO-FQEVSTJZSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001714134658 1418937374 /nfs/dbraw/zinc/93/73/74/1418937374.db2.gz IYZYLDSYVHKSIN-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+]C/C=C\c2ccccc2)CCCC1)[NH+](C)C ZINC001714148548 1418954367 /nfs/dbraw/zinc/95/43/67/1418954367.db2.gz OITBDXFXHJPENU-QTJNJRLBSA-N 2 0 343.515 3.059 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714149653 1418955942 /nfs/dbraw/zinc/95/59/42/1418955942.db2.gz FANOHGYBWSSLMV-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714155091 1418964647 /nfs/dbraw/zinc/96/46/47/1418964647.db2.gz DAZMPAAQRBWJNI-MOPGFXCFSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)CC2)cc1C ZINC001714306851 1419086948 /nfs/dbraw/zinc/08/69/48/1419086948.db2.gz KYTRKFLFCGSAMP-MXVIHJGJSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC001714355629 1419120155 /nfs/dbraw/zinc/12/01/55/1419120155.db2.gz ORLKBVGURWOFSC-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@H](CC)C1 ZINC001733203847 1429309275 /nfs/dbraw/zinc/30/92/75/1429309275.db2.gz YNALQMUHIWAACO-WOJBJXKFSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001714412266 1419150919 /nfs/dbraw/zinc/15/09/19/1419150919.db2.gz PGPMQNFCVGAYLX-RBUKOAKNSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001714484339 1419207509 /nfs/dbraw/zinc/20/75/09/1419207509.db2.gz GETMLWVBQBIKPV-DLBZAZTESA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cccc(F)c1 ZINC001714583433 1419323679 /nfs/dbraw/zinc/32/36/79/1419323679.db2.gz HPGXGYBBCBTHEY-LPHOPBHVSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001714637850 1419409406 /nfs/dbraw/zinc/40/94/06/1419409406.db2.gz YTIJEKQHYAPXFN-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001714717716 1419482533 /nfs/dbraw/zinc/48/25/33/1419482533.db2.gz QXVCXHOKLCOXQI-XLIONFOSSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001714829094 1419538872 /nfs/dbraw/zinc/53/88/72/1419538872.db2.gz CMEXBNQPNKOWFW-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CC1(C)CCC(C[NH+]2CC(CNC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001714983200 1419717548 /nfs/dbraw/zinc/71/75/48/1419717548.db2.gz VHCQFILCFQYOQR-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715020858 1419751771 /nfs/dbraw/zinc/75/17/71/1419751771.db2.gz MNNLDULRFAPBNO-PKOBYXMFSA-N 2 0 343.515 3.073 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001715029253 1419761423 /nfs/dbraw/zinc/76/14/23/1419761423.db2.gz FVYJQJHJVSOTIS-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001715034087 1419768233 /nfs/dbraw/zinc/76/82/33/1419768233.db2.gz YMMISCQSAVOTEG-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001715048541 1419789928 /nfs/dbraw/zinc/78/99/28/1419789928.db2.gz UQUJZRNLWIKLMX-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001715048543 1419789983 /nfs/dbraw/zinc/78/99/83/1419789983.db2.gz UQUJZRNLWIKLMX-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001715270502 1419986757 /nfs/dbraw/zinc/98/67/57/1419986757.db2.gz FLBPJIUGLAOPGJ-XLIONFOSSA-N 2 0 345.531 3.020 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)CCC[NH+]2CCCC2)CC1)CC1CCC1 ZINC001715484361 1420164439 /nfs/dbraw/zinc/16/44/39/1420164439.db2.gz HVHSRWFUKBPJFD-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1ccc(C[NH2+][C@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)cc1C ZINC001715489127 1420170211 /nfs/dbraw/zinc/17/02/11/1420170211.db2.gz DENONPJHUQNCTI-HXUWFJFHSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCCCC1 ZINC001715501007 1420183641 /nfs/dbraw/zinc/18/36/41/1420183641.db2.gz DZXWNHMHYWAMCG-IBGZPJMESA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001715949015 1420416350 /nfs/dbraw/zinc/41/63/50/1420416350.db2.gz KXFXHIUJXAGVGU-GJYPPUQNSA-N 2 0 333.520 3.306 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716033033 1420492067 /nfs/dbraw/zinc/49/20/67/1420492067.db2.gz SUMJQHVEPJIBTA-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001716184422 1420555432 /nfs/dbraw/zinc/55/54/32/1420555432.db2.gz XTHJNSOHHJIBNV-RBUKOAKNSA-N 2 0 345.531 3.272 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001717002587 1421072028 /nfs/dbraw/zinc/07/20/28/1421072028.db2.gz WLEZBTCZVRKOEU-IYARVYRRSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001717106533 1421112330 /nfs/dbraw/zinc/11/23/30/1421112330.db2.gz BVJSYLMDAJNVCN-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC1CC(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001717207670 1421178632 /nfs/dbraw/zinc/17/86/32/1421178632.db2.gz KPPSEGIIBYEZLE-QLOJAFMTSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1C)[NH+](C)C ZINC001717214324 1421190671 /nfs/dbraw/zinc/19/06/71/1421190671.db2.gz QZIIMZWARGCAFY-PKOBYXMFSA-N 2 0 333.520 3.177 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001717555963 1421492569 /nfs/dbraw/zinc/49/25/69/1421492569.db2.gz BBAFTUQKNONIMD-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(CC)c2)C[C@@H]1C ZINC001717826685 1421640541 /nfs/dbraw/zinc/64/05/41/1421640541.db2.gz DOECLAGMIWHMSP-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)[C@H]1C ZINC001717859647 1421672053 /nfs/dbraw/zinc/67/20/53/1421672053.db2.gz CSRDBDCZWZLLFX-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC1(NC(=O)CC[NH+]2CCCCC2)CC[NH+](CC2CCCCC2)CC1 ZINC001733361910 1429546717 /nfs/dbraw/zinc/54/67/17/1429546717.db2.gz LGRACUWJERITJY-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001722916672 1424253990 /nfs/dbraw/zinc/25/39/90/1424253990.db2.gz NQSXURFVAMTZBW-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001723950134 1424610262 /nfs/dbraw/zinc/61/02/62/1424610262.db2.gz VCZYQEOFENAIIW-SFFCAUCYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC(C)C ZINC001724118687 1424673088 /nfs/dbraw/zinc/67/30/88/1424673088.db2.gz HVJSJLVUHJXEKY-OTWHNJEPSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2(C)CC[NH+](C(C)C)CC2)o1 ZINC001724306297 1424788178 /nfs/dbraw/zinc/78/81/78/1424788178.db2.gz AGSZQKPUBNGQLL-UHFFFAOYSA-N 2 0 349.519 3.362 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001724859294 1425239822 /nfs/dbraw/zinc/23/98/22/1425239822.db2.gz CIJKBWOLTIOXID-QUCCMNQESA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001724944855 1425329758 /nfs/dbraw/zinc/32/97/58/1425329758.db2.gz HQEYFRJACFRUOH-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001725031138 1425450553 /nfs/dbraw/zinc/45/05/53/1425450553.db2.gz YOXJSULQOMABAP-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001725581782 1426237476 /nfs/dbraw/zinc/23/74/76/1426237476.db2.gz BWAWVOMGNBQACX-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001731500927 1427481800 /nfs/dbraw/zinc/48/18/00/1427481800.db2.gz FNFIEHGZPKAJDT-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001731553650 1427577220 /nfs/dbraw/zinc/57/72/20/1427577220.db2.gz IEJIKEOYWMKIOE-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1cccc(F)c1 ZINC001731812533 1427997291 /nfs/dbraw/zinc/99/72/91/1427997291.db2.gz ACQJJCFJFWASJA-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001731963259 1428185740 /nfs/dbraw/zinc/18/57/40/1428185740.db2.gz ZCRFINMLFPQMRR-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(CC)c2)[C@H](C)C1 ZINC001733897977 1437715530 /nfs/dbraw/zinc/71/55/30/1437715530.db2.gz BOLMIJDZQQPLOZ-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC3CC3)C2)CC1 ZINC001733941819 1437758368 /nfs/dbraw/zinc/75/83/68/1437758368.db2.gz RCFVRWSEJGUOTN-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001734065251 1437860404 /nfs/dbraw/zinc/86/04/04/1437860404.db2.gz IRTXOZYYPOFJPE-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001734273608 1438005883 /nfs/dbraw/zinc/00/58/83/1438005883.db2.gz WQSVBQPRKPTDRE-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001734357656 1438074788 /nfs/dbraw/zinc/07/47/88/1438074788.db2.gz SMTCETDLCUXGAD-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001734570487 1438164727 /nfs/dbraw/zinc/16/47/27/1438164727.db2.gz PCPPURFPZAEWOZ-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1c(C(=O)NCCC[N@@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001752009088 1440132286 /nfs/dbraw/zinc/13/22/86/1440132286.db2.gz PFUPRIFIYJTPQR-MRXNPFEDSA-N 2 0 344.503 3.377 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001752301723 1440167916 /nfs/dbraw/zinc/16/79/16/1440167916.db2.gz QFKZBFBQZBXRRA-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCC[NH+]1CCC(N(CCC)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001752442693 1440181630 /nfs/dbraw/zinc/18/16/30/1440181630.db2.gz ZMHWJFWRVANFJO-NRFANRHFSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752508332 1440189919 /nfs/dbraw/zinc/18/99/19/1440189919.db2.gz QVXHNUMIZSZJPJ-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC001752641594 1440197584 /nfs/dbraw/zinc/19/75/84/1440197584.db2.gz HFZAUPUOZVYWRN-GUDVDZBRSA-N 2 0 345.531 3.061 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001752787135 1440211954 /nfs/dbraw/zinc/21/19/54/1440211954.db2.gz HGDYGALJRIVYRZ-QUCCMNQESA-N 2 0 347.547 3.047 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001752822344 1440221273 /nfs/dbraw/zinc/22/12/73/1440221273.db2.gz FJYNCUFZSPHJOH-KKHYBRAUSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001752823127 1440222088 /nfs/dbraw/zinc/22/20/88/1440222088.db2.gz VZQJWEKZBVMJBB-OALUTQOASA-N 2 0 337.552 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC(C)C ZINC001752834448 1440227057 /nfs/dbraw/zinc/22/70/57/1440227057.db2.gz SDHZKQLKLPTTCK-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001752873357 1440237570 /nfs/dbraw/zinc/23/75/70/1440237570.db2.gz RFIKAGRRFCMSPM-MSOLQXFVSA-N 2 0 345.531 3.415 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001752891695 1440241055 /nfs/dbraw/zinc/24/10/55/1440241055.db2.gz PCEHFTDAQJJXCF-DLBZAZTESA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001752940536 1440250906 /nfs/dbraw/zinc/25/09/06/1440250906.db2.gz PYJALTMILYDCKO-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001753007564 1440266110 /nfs/dbraw/zinc/26/61/10/1440266110.db2.gz SVJBVSGXSPINRB-GOSISDBHSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CCCCC1 ZINC001753055500 1440281267 /nfs/dbraw/zinc/28/12/67/1440281267.db2.gz OXILADMNHODDNE-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1CCC2(CC2)CC1 ZINC001753090870 1440298945 /nfs/dbraw/zinc/29/89/45/1440298945.db2.gz BIUHVJJHFSOOJJ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CCC(C)(C)C ZINC001753091253 1440299217 /nfs/dbraw/zinc/29/92/17/1440299217.db2.gz OCVHPNUXQNBAPI-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCCC2)C1 ZINC001753111323 1440308623 /nfs/dbraw/zinc/30/86/23/1440308623.db2.gz GKWOCSRTTUEYTC-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C(C)C ZINC001753115334 1440310751 /nfs/dbraw/zinc/31/07/51/1440310751.db2.gz DJRONCNNQCHGHI-IBGZPJMESA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC1CCCCC1)C1CC1 ZINC001753154642 1440330252 /nfs/dbraw/zinc/33/02/52/1440330252.db2.gz KZSKWKQYCMBMIL-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001753160813 1440333608 /nfs/dbraw/zinc/33/36/08/1440333608.db2.gz BWKZEOONNJXJPV-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(C(=O)N(C)CC[NH2+]CCC2CCCCC2)ccc2c[nH+]cn21 ZINC001753206887 1440338835 /nfs/dbraw/zinc/33/88/35/1440338835.db2.gz JQFBYSIWOGWADL-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001753209107 1440338964 /nfs/dbraw/zinc/33/89/64/1440338964.db2.gz ZTSPAHMONSCRPB-QFBILLFUSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001753277311 1440346497 /nfs/dbraw/zinc/34/64/97/1440346497.db2.gz GCSICAHWSHTIBT-SFHVURJKSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001753277309 1440346525 /nfs/dbraw/zinc/34/65/25/1440346525.db2.gz GCSICAHWSHTIBT-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1)[NH+](CC)CC ZINC001753278213 1440346720 /nfs/dbraw/zinc/34/67/20/1440346720.db2.gz OUGHXHKBDLCCAB-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CC1CC(C)C1 ZINC001753287429 1440349063 /nfs/dbraw/zinc/34/90/63/1440349063.db2.gz XBUMFXVQQYPCLX-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1cccc(C)c1 ZINC001753308720 1440355991 /nfs/dbraw/zinc/35/59/91/1440355991.db2.gz AZQJAGBCQWZFLU-RLLQIKCJSA-N 2 0 343.515 3.073 20 0 EGADRP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001753316075 1440359674 /nfs/dbraw/zinc/35/96/74/1440359674.db2.gz KWRXBJOJGAODBY-ICSRJNTNSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001753319369 1440362045 /nfs/dbraw/zinc/36/20/45/1440362045.db2.gz DJEBTEQECFPIND-OALUTQOASA-N 2 0 337.552 3.364 20 0 EGADRP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001753326674 1440367004 /nfs/dbraw/zinc/36/70/04/1440367004.db2.gz HYNIZDAOUSARMZ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001753330345 1440369020 /nfs/dbraw/zinc/36/90/20/1440369020.db2.gz NAXOUKKIKAOFKN-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001753359017 1440381552 /nfs/dbraw/zinc/38/15/52/1440381552.db2.gz DPFBFRRSSWWPSU-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[NH+]1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001753405588 1440391919 /nfs/dbraw/zinc/39/19/19/1440391919.db2.gz CIAINOGNDFXBKA-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753449819 1440405352 /nfs/dbraw/zinc/40/53/52/1440405352.db2.gz KBEHWIAMZDRJDG-SFFCAUCYSA-N 2 0 335.536 3.142 20 0 EGADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001753472798 1440414383 /nfs/dbraw/zinc/41/43/83/1440414383.db2.gz BHIARBDBAMUEGN-GOSISDBHSA-N 2 0 335.536 3.236 20 0 EGADRP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CCCC(C)C ZINC001753478136 1440415832 /nfs/dbraw/zinc/41/58/32/1440415832.db2.gz RKWWQCDIOGZHBZ-MRXNPFEDSA-N 2 0 330.476 3.177 20 0 EGADRP Cc1ccc(C[NH2+]CC2(NC(=O)C[N@@H+](C)C(C)C)CCCC2)cc1C ZINC001753511185 1440425948 /nfs/dbraw/zinc/42/59/48/1440425948.db2.gz BGLSLZQPOJREOR-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(CF)cc2)CCCC1 ZINC001753511806 1440426234 /nfs/dbraw/zinc/42/62/34/1440426234.db2.gz MVWRPKMNIUJXSS-UHFFFAOYSA-N 2 0 349.494 3.015 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001753547399 1440434432 /nfs/dbraw/zinc/43/44/32/1440434432.db2.gz BWSOEYNCCRLBJD-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001753577606 1440439671 /nfs/dbraw/zinc/43/96/71/1440439671.db2.gz JYUAOOZIXBWINA-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001753591223 1440442817 /nfs/dbraw/zinc/44/28/17/1440442817.db2.gz QHXDWBIEZNCSJO-PXNSSMCTSA-N 2 0 345.531 3.311 20 0 EGADRP CC(C)CCC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001753590720 1440442846 /nfs/dbraw/zinc/44/28/46/1440442846.db2.gz MGNKZYBHJSXYGK-UHFFFAOYSA-N 2 0 345.531 3.170 20 0 EGADRP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753694681 1440467198 /nfs/dbraw/zinc/46/71/98/1440467198.db2.gz DTLCDZDEWABOMK-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001753814388 1440493388 /nfs/dbraw/zinc/49/33/88/1440493388.db2.gz QCUCMIGZEBBLDM-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753814968 1440493612 /nfs/dbraw/zinc/49/36/12/1440493612.db2.gz HWDFPKLRQDGPOW-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC001753831670 1440499921 /nfs/dbraw/zinc/49/99/21/1440499921.db2.gz YJNZIJOZWXPWMZ-VQTJNVASSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001753836038 1440501019 /nfs/dbraw/zinc/50/10/19/1440501019.db2.gz WOBUVFVDQBJYFE-MSOLQXFVSA-N 2 0 339.568 3.273 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cc2ccccc2s1 ZINC001753867603 1440515576 /nfs/dbraw/zinc/51/55/76/1440515576.db2.gz YDJHYEUNPOGWQD-UHFFFAOYSA-N 2 0 347.528 3.133 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753992314 1440529118 /nfs/dbraw/zinc/52/91/18/1440529118.db2.gz DYMDBJVFSQCZKB-PKOBYXMFSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001754026237 1440533258 /nfs/dbraw/zinc/53/32/58/1440533258.db2.gz XMOQMVNXIHYJCL-INIZCTEOSA-N 2 0 333.520 3.282 20 0 EGADRP CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754045330 1440535103 /nfs/dbraw/zinc/53/51/03/1440535103.db2.gz MLKMTGSZJRZRQH-CTWPCTMYSA-N 2 0 337.552 3.124 20 0 EGADRP CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754045329 1440535124 /nfs/dbraw/zinc/53/51/24/1440535124.db2.gz MLKMTGSZJRZRQH-ACBHZAAOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001754071277 1440538178 /nfs/dbraw/zinc/53/81/78/1440538178.db2.gz JMXXNTFJZAXUFH-IHPCNDPISA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)CCC[NH+]1CCCC1 ZINC001754296650 1440566440 /nfs/dbraw/zinc/56/64/40/1440566440.db2.gz UTKYVQPGBFNVDQ-FXAWDEMLSA-N 2 0 343.515 3.034 20 0 EGADRP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001754315999 1440575536 /nfs/dbraw/zinc/57/55/36/1440575536.db2.gz LUMOXKCOPZUHQR-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001754324034 1440579519 /nfs/dbraw/zinc/57/95/19/1440579519.db2.gz XRQIPKHTDOTVDM-DNVCBOLYSA-N 2 0 349.494 3.055 20 0 EGADRP CC1CCC(C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001754395688 1440594556 /nfs/dbraw/zinc/59/45/56/1440594556.db2.gz LRUUZAGWNLQCAW-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001754400438 1440595144 /nfs/dbraw/zinc/59/51/44/1440595144.db2.gz AAYWBZDUPFDQPE-RTBURBONSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001754470856 1440605495 /nfs/dbraw/zinc/60/54/95/1440605495.db2.gz RTOQXACDZLVYKN-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001754492430 1440610734 /nfs/dbraw/zinc/61/07/34/1440610734.db2.gz CBNBUNANASYDEC-WMZOPIPTSA-N 2 0 339.483 3.043 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001754536470 1440624589 /nfs/dbraw/zinc/62/45/89/1440624589.db2.gz VCKWEMDDDQLSSM-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001754553861 1440630778 /nfs/dbraw/zinc/63/07/78/1440630778.db2.gz OUSIDBKWQCVTLR-QRVBRYPASA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001754557978 1440632572 /nfs/dbraw/zinc/63/25/72/1440632572.db2.gz USFURCXHUJDGJY-FNEOHHHZSA-N 2 0 347.547 3.142 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001754558126 1440632655 /nfs/dbraw/zinc/63/26/55/1440632655.db2.gz XYNJFQOUGCOFRD-HXUWFJFHSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001754568954 1440636795 /nfs/dbraw/zinc/63/67/95/1440636795.db2.gz IJNGGCBAKZUMQW-YEFOHOTDSA-N 2 0 347.547 3.143 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC001754586767 1440639992 /nfs/dbraw/zinc/63/99/92/1440639992.db2.gz ZCQNDPPEACGDFO-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C[C@@H]1C ZINC001754605015 1440643162 /nfs/dbraw/zinc/64/31/62/1440643162.db2.gz VEECKOYJBSEPKI-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCC2CCCCC2)C2CCCC2)C1 ZINC001754656899 1440653825 /nfs/dbraw/zinc/65/38/25/1440653825.db2.gz WRGRFKUJNIJVOO-WOJBJXKFSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754681572 1440662628 /nfs/dbraw/zinc/66/26/28/1440662628.db2.gz CSSDCYMNXXJAQO-FQEVSTJZSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001754707073 1440669356 /nfs/dbraw/zinc/66/93/56/1440669356.db2.gz JPJKNSGVXJPAFO-AZUAARDMSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001754707076 1440669424 /nfs/dbraw/zinc/66/94/24/1440669424.db2.gz JPJKNSGVXJPAFO-UYAOXDASSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754800398 1440690313 /nfs/dbraw/zinc/69/03/13/1440690313.db2.gz UERZUHIYUOJIRF-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001754822819 1440693202 /nfs/dbraw/zinc/69/32/02/1440693202.db2.gz QDOYNVBBBZKXBG-WMZOPIPTSA-N 2 0 339.568 3.085 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001754867886 1440703636 /nfs/dbraw/zinc/70/36/36/1440703636.db2.gz HKELHKCNUGUGJM-AWTIPJNISA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@H]([NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001754942526 1440712024 /nfs/dbraw/zinc/71/20/24/1440712024.db2.gz JYJWZYWQIUHUGX-QUCCMNQESA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001754962615 1440717855 /nfs/dbraw/zinc/71/78/55/1440717855.db2.gz IHYBSIRCZDIXBJ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001754980483 1440721192 /nfs/dbraw/zinc/72/11/92/1440721192.db2.gz DWKMERYDXUIEOO-ZWKOTPCHSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC001754988858 1440723728 /nfs/dbraw/zinc/72/37/28/1440723728.db2.gz NOOZTTXCOBHIMB-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP O=C(NCC1([NH2+]CCC2CCCCCC2)CCC1)C12CC[NH+](CC1)C2 ZINC001754991512 1440724446 /nfs/dbraw/zinc/72/44/46/1440724446.db2.gz PUBLITGBSCVIHN-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001754991269 1440724476 /nfs/dbraw/zinc/72/44/76/1440724476.db2.gz FWRAORVTVFPFEN-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001754991271 1440724557 /nfs/dbraw/zinc/72/45/57/1440724557.db2.gz FWRAORVTVFPFEN-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCC1 ZINC001754992545 1440724912 /nfs/dbraw/zinc/72/49/12/1440724912.db2.gz HWBSBYBIKZBKIX-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001755027528 1440729553 /nfs/dbraw/zinc/72/95/53/1440729553.db2.gz BHNFHNPYHOVQKN-RBUKOAKNSA-N 2 0 345.531 3.287 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755045556 1440740477 /nfs/dbraw/zinc/74/04/77/1440740477.db2.gz ZQSDOOJNVDUXHD-IEBWSBKVSA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755045999 1440741160 /nfs/dbraw/zinc/74/11/60/1440741160.db2.gz QEWROTQUOJLPDI-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001755073215 1440747340 /nfs/dbraw/zinc/74/73/40/1440747340.db2.gz LCMBHFRXUQYNMP-FPLPWBNLSA-N 2 0 346.519 3.404 20 0 EGADRP CC(C)[NH+]1CCC(CCCCCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001755074381 1440747916 /nfs/dbraw/zinc/74/79/16/1440747916.db2.gz XJQTUFMTOSAMBR-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001755111555 1440754295 /nfs/dbraw/zinc/75/42/95/1440754295.db2.gz HMHWQMAUEIDAFP-AEFFLSMTSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142691 1440761586 /nfs/dbraw/zinc/76/15/86/1440761586.db2.gz DNIFJEKSAZAUGJ-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001755221842 1440784802 /nfs/dbraw/zinc/78/48/02/1440784802.db2.gz MHVYUJZWTNROPY-DAWZGUTISA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001755289384 1440803114 /nfs/dbraw/zinc/80/31/14/1440803114.db2.gz LTXQJZVFPLSYDO-ZWKOTPCHSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001755302113 1440809097 /nfs/dbraw/zinc/80/90/97/1440809097.db2.gz ZHPSHCGNTOITII-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CCCC1CCCC1 ZINC001755306353 1440811230 /nfs/dbraw/zinc/81/12/30/1440811230.db2.gz JAWIXUPEJXPRMM-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccc(C[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCCC2)cc1 ZINC001755353492 1440828619 /nfs/dbraw/zinc/82/86/19/1440828619.db2.gz MXLUVQSQOISPAU-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CCCC[C@H](C[NH2+]Cc1ccc(C)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001755359861 1440831268 /nfs/dbraw/zinc/83/12/68/1440831268.db2.gz LLTYGKJHBDXUBN-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001755366281 1440834534 /nfs/dbraw/zinc/83/45/34/1440834534.db2.gz OOSZLHBSYSHAPY-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001755367667 1440835729 /nfs/dbraw/zinc/83/57/29/1440835729.db2.gz HTTKOTBHCGKXSR-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755416452 1440849233 /nfs/dbraw/zinc/84/92/33/1440849233.db2.gz UGBNLOTVSDOIPB-JCMVTEASSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755563570 1440875165 /nfs/dbraw/zinc/87/51/65/1440875165.db2.gz BLELGNMSNACIEW-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001755573750 1440877617 /nfs/dbraw/zinc/87/76/17/1440877617.db2.gz TXYLNZWDQJXICP-PXNSSMCTSA-N 2 0 345.531 3.223 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001755587951 1440880739 /nfs/dbraw/zinc/88/07/39/1440880739.db2.gz NTAVULRMHNXMFH-MJGOQNOKSA-N 2 0 335.536 3.186 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001755589995 1440881249 /nfs/dbraw/zinc/88/12/49/1440881249.db2.gz FJZLXQLOBDHQKC-AEFFLSMTSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCC1=CCCCC1 ZINC001755603838 1440884817 /nfs/dbraw/zinc/88/48/17/1440884817.db2.gz JMNIYIGHVXRLJU-QGZVFWFLSA-N 2 0 337.552 3.291 20 0 EGADRP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001755607186 1440886031 /nfs/dbraw/zinc/88/60/31/1440886031.db2.gz QIIALESHGBNRDN-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001755608000 1440886292 /nfs/dbraw/zinc/88/62/92/1440886292.db2.gz YHRKEAKWGQHDKM-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001755664587 1440893253 /nfs/dbraw/zinc/89/32/53/1440893253.db2.gz OCIYVQJGCJMOBM-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001755667363 1440893602 /nfs/dbraw/zinc/89/36/02/1440893602.db2.gz TXSUZAZJDLZLCR-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001755690869 1440896637 /nfs/dbraw/zinc/89/66/37/1440896637.db2.gz ZALJHDBCOBUOLM-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001755691611 1440896806 /nfs/dbraw/zinc/89/68/06/1440896806.db2.gz ZOQWSOMGSLNRPH-HTJOGQSXSA-N 2 0 349.563 3.432 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCCC(C)C)CC3)CC[N@@H+]1C ZINC001755702267 1440900747 /nfs/dbraw/zinc/90/07/47/1440900747.db2.gz PAWSZPLBOYZCMU-JTJHWIPRSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001755724492 1440908880 /nfs/dbraw/zinc/90/88/80/1440908880.db2.gz VXRRLKPDJQVLFY-WLMAVBAVSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001755763498 1440915607 /nfs/dbraw/zinc/91/56/07/1440915607.db2.gz SIZNDQWJMKOVCH-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001755817063 1440924021 /nfs/dbraw/zinc/92/40/21/1440924021.db2.gz BKQUDKDFFBZVHL-MOPGFXCFSA-N 2 0 337.552 3.242 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001755830244 1440928435 /nfs/dbraw/zinc/92/84/35/1440928435.db2.gz KUHCHMLWUKHIEV-RTBURBONSA-N 2 0 345.531 3.136 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001755836363 1440930322 /nfs/dbraw/zinc/93/03/22/1440930322.db2.gz SDAUCSAROSXJMF-RBUKOAKNSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)c1cccc(F)c1 ZINC001755837443 1440930732 /nfs/dbraw/zinc/93/07/32/1440930732.db2.gz QTXYUUVCSPUHCQ-CRAIPNDOSA-N 2 0 349.494 3.103 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368532423 168369113 /nfs/dbraw/zinc/36/91/13/168369113.db2.gz YQMRQKGGKAWUAM-RXVVDRJESA-N 2 0 345.531 3.135 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054241510 214226243 /nfs/dbraw/zinc/22/62/43/214226243.db2.gz NJGHMKRIPHLHNC-ZDUSSCGKSA-N 2 0 325.294 3.312 20 0 EGADRP C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cccc(Cl)c1 ZINC000368935528 168382630 /nfs/dbraw/zinc/38/26/30/168382630.db2.gz ZXDZNMXILNETAV-MBOZVWFJSA-N 2 0 349.950 3.401 20 0 EGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187856353 529633013 /nfs/dbraw/zinc/63/30/13/529633013.db2.gz RYYALVXUUQXKBB-IBGZPJMESA-N 2 0 342.462 3.213 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347141308 282240087 /nfs/dbraw/zinc/24/00/87/282240087.db2.gz WEFBDNZJBLNQAK-ZFWWWQNUSA-N 2 0 332.879 3.393 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178118896 232088644 /nfs/dbraw/zinc/08/86/44/232088644.db2.gz OMMCEXLJJLNFGR-QGZVFWFLSA-N 2 0 329.488 3.341 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000180987155 234052122 /nfs/dbraw/zinc/05/21/22/234052122.db2.gz MNEXMRPCBJPBEU-FQEVSTJZSA-N 2 0 349.478 3.414 20 0 EGADRP Cc1cccc(CCC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000181042354 234069076 /nfs/dbraw/zinc/06/90/76/234069076.db2.gz ZBERNXJTHOTWAK-SFTDATJTSA-N 2 0 343.559 3.418 20 0 EGADRP C[C@H]([NH2+]CCOCC[NH2+][C@@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000181548077 234225670 /nfs/dbraw/zinc/22/56/70/234225670.db2.gz HDTRLNONWUNABV-HOTGVXAUSA-N 2 0 344.455 3.116 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCCc2ccccc2)CC1 ZINC000186902286 236058314 /nfs/dbraw/zinc/05/83/14/236058314.db2.gz RORVGLYDVSOVAW-NHCUHLMSSA-N 2 0 343.559 3.500 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@@H]1C ZINC000365412029 283856975 /nfs/dbraw/zinc/85/69/75/283856975.db2.gz TZNDZFQWWZZMES-AYBZRNKSSA-N 2 0 336.520 3.208 20 0 EGADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236697389 242323883 /nfs/dbraw/zinc/32/38/83/242323883.db2.gz VRCZHPLPZOTXOS-GOSISDBHSA-N 2 0 331.504 3.052 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000361502517 296122654 /nfs/dbraw/zinc/12/26/54/296122654.db2.gz XQBTWZSTDXNJFC-ICSRJNTNSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262697852 245127386 /nfs/dbraw/zinc/12/73/86/245127386.db2.gz FOLMZEKKPGVTOO-OXJNMPFZSA-N 2 0 331.504 3.052 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000263870771 245787731 /nfs/dbraw/zinc/78/77/31/245787731.db2.gz XQYQAYNOOMSBRC-UHFFFAOYSA-N 2 0 337.511 3.046 20 0 EGADRP CC[N@H+](CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000120095246 284399582 /nfs/dbraw/zinc/39/95/82/284399582.db2.gz SGWHUHQAPWCJBC-QGZVFWFLSA-N 2 0 349.544 3.122 20 0 EGADRP Cc1nc(-c2ccncc2)nc(NCCC2CC[NH+](C)CC2)c1C ZINC000264942609 247068594 /nfs/dbraw/zinc/06/85/94/247068594.db2.gz IULBLGHWOAGQSI-UHFFFAOYSA-N 2 0 325.460 3.299 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H]3C)cc12 ZINC000377348538 169013719 /nfs/dbraw/zinc/01/37/19/169013719.db2.gz VNVQSWVDGKFULL-JXFKEZNVSA-N 2 0 349.482 3.029 20 0 EGADRP C[C@H](O)c1ncc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000377540471 169038195 /nfs/dbraw/zinc/03/81/95/169038195.db2.gz JRCCXTLKKXAGBJ-JYJNAYRXSA-N 2 0 337.533 3.283 20 0 EGADRP C[N@H+](CC(C)(C)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626831 169050672 /nfs/dbraw/zinc/05/06/72/169050672.db2.gz MXYWXGYSHISTAS-HXUWFJFHSA-N 2 0 329.532 3.065 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc4ccccc4s3)CC2)C1 ZINC000378357722 169107391 /nfs/dbraw/zinc/10/73/91/169107391.db2.gz WQMOBBGXRRDHQF-QGZVFWFLSA-N 2 0 329.513 3.113 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCc4sccc43)ccn2)CC1 ZINC000095420398 218361076 /nfs/dbraw/zinc/36/10/76/218361076.db2.gz YGBPDAAZORNERM-KRWDZBQOSA-N 2 0 342.512 3.062 20 0 EGADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000095988248 218494928 /nfs/dbraw/zinc/49/49/28/218494928.db2.gz JBHIMWICCLMMMD-WTLGNFPFSA-N 2 0 334.504 3.337 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268751736 252201508 /nfs/dbraw/zinc/20/15/08/252201508.db2.gz VPVKTSJKRQMWEP-LJQANCHMSA-N 2 0 345.531 3.296 20 0 EGADRP COc1ccc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191408217 533203099 /nfs/dbraw/zinc/20/30/99/533203099.db2.gz NELZKAOEDNLODX-OAQYLSRUSA-N 2 0 345.531 3.248 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000121122089 285322351 /nfs/dbraw/zinc/32/23/51/285322351.db2.gz WYOHIUKYKHKZTR-MOPGFXCFSA-N 2 0 331.548 3.216 20 0 EGADRP [NH3+][C@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000119559237 221348434 /nfs/dbraw/zinc/34/84/34/221348434.db2.gz BDYOIBBAHCAPOY-HXUWFJFHSA-N 2 0 337.467 3.354 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000127235126 285338642 /nfs/dbraw/zinc/33/86/42/285338642.db2.gz MPICUUQHTRFYCR-GVDBMIGSSA-N 2 0 349.494 3.043 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000328587392 258045969 /nfs/dbraw/zinc/04/59/69/258045969.db2.gz LEUADNQMTIXEMW-UHFFFAOYSA-N 2 0 340.515 3.017 20 0 EGADRP COc1ccc2cc([C@@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)ccc2c1 ZINC000155118332 533335486 /nfs/dbraw/zinc/33/54/86/533335486.db2.gz XZWLNXJDURFZEO-DLBZAZTESA-N 2 0 341.499 3.135 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1 ZINC000171644894 533447235 /nfs/dbraw/zinc/44/72/35/533447235.db2.gz DPYJYQKXHMEZMK-OAHLLOKOSA-N 2 0 344.890 3.338 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000165268739 533427088 /nfs/dbraw/zinc/42/70/88/533427088.db2.gz ZUCVDYRSDXCAKB-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CCOC1 ZINC000164494393 533460523 /nfs/dbraw/zinc/46/05/23/533460523.db2.gz SOGUKHRWHSKDFA-VQIMIIECSA-N 2 0 328.456 3.426 20 0 EGADRP C[N@H+](Cc1cccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801420 549334142 /nfs/dbraw/zinc/33/41/42/549334142.db2.gz PQCMVNLMGNBVTB-NRFANRHFSA-N 2 0 337.511 3.440 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000237555540 141007708 /nfs/dbraw/zinc/00/77/08/141007708.db2.gz SLHSIVLMJPXHOP-MOPGFXCFSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237552463 141007789 /nfs/dbraw/zinc/00/77/89/141007789.db2.gz WBPAEWKQYYIKQJ-IEBWSBKVSA-N 2 0 343.515 3.289 20 0 EGADRP C[C@H](O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246985536 141047406 /nfs/dbraw/zinc/04/74/06/141047406.db2.gz JZNDJAWVIFRHQZ-FIKGOQFSSA-N 2 0 339.483 3.135 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000338100446 141094244 /nfs/dbraw/zinc/09/42/44/141094244.db2.gz NNWOXSGVTCHCJG-VQTJNVASSA-N 2 0 343.515 3.275 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000339498783 141123395 /nfs/dbraw/zinc/12/33/95/141123395.db2.gz UFLSWZQIRPGGIV-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1ncccc1C[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000342978631 141154833 /nfs/dbraw/zinc/15/48/33/141154833.db2.gz KFGIVKPQEMUQFR-UHFFFAOYSA-N 2 0 331.504 3.293 20 0 EGADRP O[C@@]1(CNCc2cccc(Cl)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC000344513256 141166976 /nfs/dbraw/zinc/16/69/76/141166976.db2.gz LFACJQFXNPQGNT-LJQANCHMSA-N 2 0 348.849 3.206 20 0 EGADRP Cc1ccc2ncc(C[NH2+]CCc3nc(-c4ccncc4)cs3)n2c1 ZINC000344558640 141173299 /nfs/dbraw/zinc/17/32/99/141173299.db2.gz YBKRXRXETRUSNW-UHFFFAOYSA-N 2 0 349.463 3.494 20 0 EGADRP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000348056407 141236390 /nfs/dbraw/zinc/23/63/90/141236390.db2.gz RDWQQRCIOLGTGA-WIYYLYMNSA-N 2 0 326.484 3.017 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000353450634 141298584 /nfs/dbraw/zinc/29/85/84/141298584.db2.gz OVMREAANAXOPHZ-UXHICEINSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000356834560 141351258 /nfs/dbraw/zinc/35/12/58/141351258.db2.gz BSPNMGPPTFCCFQ-UYAOXDASSA-N 2 0 346.515 3.108 20 0 EGADRP Cc1c([C@@H](C)NCCC[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000359616438 141386124 /nfs/dbraw/zinc/38/61/24/141386124.db2.gz GIAVXPUDRZEJLF-MRXNPFEDSA-N 2 0 327.476 3.102 20 0 EGADRP FC(F)(F)C1CCC(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000183714072 144078263 /nfs/dbraw/zinc/07/82/63/144078263.db2.gz NFMZFLWIPKYQOD-HWOWSKLDSA-N 2 0 348.453 3.446 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CC)CCOCC2)CC1 ZINC000344736869 144217593 /nfs/dbraw/zinc/21/75/93/144217593.db2.gz DHSALOLXMAJTDC-UHFFFAOYSA-N 2 0 345.531 3.125 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]12 ZINC000351477551 144266405 /nfs/dbraw/zinc/26/64/05/144266405.db2.gz NQUAIGSTNIRLEF-DFQSSKMNSA-N 2 0 349.478 3.351 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847581 144315760 /nfs/dbraw/zinc/31/57/60/144315760.db2.gz ANJDENXNCQPZDI-YXJHDRRASA-N 2 0 349.494 3.088 20 0 EGADRP CN(CC[N@H+](C)Cc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC000341151344 155193377 /nfs/dbraw/zinc/19/33/77/155193377.db2.gz YMSXOPLLSUTUOO-UHFFFAOYSA-N 2 0 331.529 3.359 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCSCC2)[C@@H](C)C1 ZINC000250079204 286064318 /nfs/dbraw/zinc/06/43/18/286064318.db2.gz OXNASVFSKLZPHF-JZXOWHBKSA-N 2 0 328.566 3.245 20 0 EGADRP O[C@@H](Cc1ccccc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121712735 152366430 /nfs/dbraw/zinc/36/64/30/152366430.db2.gz JDMDKDHNGLLOEQ-NRFANRHFSA-N 2 0 330.516 3.178 20 0 EGADRP CCOC1CC(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000189244721 153059224 /nfs/dbraw/zinc/05/92/24/153059224.db2.gz OGJCWGQFJNCAMK-CLPROHDKSA-N 2 0 331.504 3.087 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262121218 153782993 /nfs/dbraw/zinc/78/29/93/153782993.db2.gz KCIFVQBRUIHUER-QUCCMNQESA-N 2 0 331.504 3.093 20 0 EGADRP Cc1ccccc1C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000337319775 154281081 /nfs/dbraw/zinc/28/10/81/154281081.db2.gz AKYKLOLEKWGTMP-UHFFFAOYSA-N 2 0 329.532 3.376 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000338170988 154614463 /nfs/dbraw/zinc/61/44/63/154614463.db2.gz CASTZOKUVWUFSA-MRXNPFEDSA-N 2 0 333.520 3.235 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000346810761 156146214 /nfs/dbraw/zinc/14/62/14/156146214.db2.gz AOOPHRXHSHGZBZ-SJLPKXTDSA-N 2 0 331.504 3.106 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000346871277 156173105 /nfs/dbraw/zinc/17/31/05/156173105.db2.gz FWSLQIYZKCKELC-MSOLQXFVSA-N 2 0 345.531 3.280 20 0 EGADRP CCc1oc2ccccc2c1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349038587 156327993 /nfs/dbraw/zinc/32/79/93/156327993.db2.gz VRRRUOKMFCXEON-UHFFFAOYSA-N 2 0 343.515 3.453 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1sccc1Cl ZINC000349071707 156343065 /nfs/dbraw/zinc/34/30/65/156343065.db2.gz GYCJLBXHDHRPKU-AWEZNQCLSA-N 2 0 329.941 3.249 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000349147933 156366441 /nfs/dbraw/zinc/36/64/41/156366441.db2.gz ZYOHPBKCFCWCQO-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP C[N@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372735167 157373494 /nfs/dbraw/zinc/37/34/94/157373494.db2.gz FDILMVYXDSICBT-INIZCTEOSA-N 2 0 339.886 3.079 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000372745756 157376197 /nfs/dbraw/zinc/37/61/97/157376197.db2.gz VNEFNMWZQRIKRJ-YJBOKZPZSA-N 2 0 335.923 3.202 20 0 EGADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000361888304 286903904 /nfs/dbraw/zinc/90/39/04/286903904.db2.gz QGDULMDPFZYKIN-OAHLLOKOSA-N 2 0 331.287 3.491 20 0 EGADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093735076 162025795 /nfs/dbraw/zinc/02/57/95/162025795.db2.gz FMNITUYEQLVSRF-QFBILLFUSA-N 2 0 332.488 3.480 20 0 EGADRP CC1(C)CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000112701571 162185836 /nfs/dbraw/zinc/18/58/36/162185836.db2.gz UIFWTQOPIZPZOA-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000114275247 162226746 /nfs/dbraw/zinc/22/67/46/162226746.db2.gz WCKXELQJYRYJCP-QGZVFWFLSA-N 2 0 347.503 3.220 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475484 162274569 /nfs/dbraw/zinc/27/45/69/162274569.db2.gz QDRQKNVYKAIGNZ-GJYPPUQNSA-N 3 0 335.561 3.278 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000126165069 162295094 /nfs/dbraw/zinc/29/50/94/162295094.db2.gz DUAXUEUVUWUXAL-ZDUSSCGKSA-N 2 0 347.894 3.222 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000337197821 163160693 /nfs/dbraw/zinc/16/06/93/163160693.db2.gz XQPFLMZYPBPDJN-LJQANCHMSA-N 2 0 327.472 3.168 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000338544142 163267493 /nfs/dbraw/zinc/26/74/93/163267493.db2.gz LFMNEXHFQKUBCI-FQEVSTJZSA-N 2 0 334.504 3.197 20 0 EGADRP CC(C)CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000338777444 163346402 /nfs/dbraw/zinc/34/64/02/163346402.db2.gz ZZZUDMGAFNNXLE-OAQYLSRUSA-N 2 0 344.547 3.398 20 0 EGADRP CC(C)[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354708374 166015592 /nfs/dbraw/zinc/01/55/92/166015592.db2.gz PFFIXTKICBNLQK-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000343698557 164015021 /nfs/dbraw/zinc/01/50/21/164015021.db2.gz AZVJBVJDBSRASM-MRXNPFEDSA-N 2 0 340.895 3.281 20 0 EGADRP CC(C)c1ncc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000343816984 164041931 /nfs/dbraw/zinc/04/19/31/164041931.db2.gz UOSSGFBQEJELRN-GASCZTMLSA-N 2 0 325.522 3.246 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000343916835 164064813 /nfs/dbraw/zinc/06/48/13/164064813.db2.gz ALTGMAXXABMVAH-WOJBJXKFSA-N 2 0 339.483 3.448 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000343916833 164065276 /nfs/dbraw/zinc/06/52/76/164065276.db2.gz ALTGMAXXABMVAH-UXHICEINSA-N 2 0 339.483 3.448 20 0 EGADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343951052 164071817 /nfs/dbraw/zinc/07/18/17/164071817.db2.gz ZWLZVWPGNSCCCE-INIZCTEOSA-N 2 0 345.462 3.272 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000343986871 164077828 /nfs/dbraw/zinc/07/78/28/164077828.db2.gz NWHRRBMESRHIOF-LJQANCHMSA-N 2 0 325.456 3.189 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CNC3CC[NH+](C4CCC4)CC3)sc2C1 ZINC000344118714 164107488 /nfs/dbraw/zinc/10/74/88/164107488.db2.gz CLMLHQUDUFLMEE-UHFFFAOYSA-N 2 0 348.560 3.016 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000344141073 164113290 /nfs/dbraw/zinc/11/32/90/164113290.db2.gz ZNPRYJRESUDMRZ-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP C[C@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000344160460 164117052 /nfs/dbraw/zinc/11/70/52/164117052.db2.gz DXDXRXLREWWOER-WIYYLYMNSA-N 2 0 329.532 3.391 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000344600951 164196978 /nfs/dbraw/zinc/19/69/78/164196978.db2.gz JCZOOXLMYUZFIE-FUHWJXTLSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000345663183 164236928 /nfs/dbraw/zinc/23/69/28/164236928.db2.gz YUTAPCKOFPJQDN-BDXSIMOUSA-N 2 0 345.531 3.493 20 0 EGADRP C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345663186 164237375 /nfs/dbraw/zinc/23/73/75/164237375.db2.gz YUTAPCKOFPJQDN-XWTMOSNGSA-N 2 0 345.531 3.493 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC000345992278 164312188 /nfs/dbraw/zinc/31/21/88/164312188.db2.gz NMLFQLRATIIHTL-PXNSSMCTSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000347105008 164445078 /nfs/dbraw/zinc/44/50/78/164445078.db2.gz MPGVJDXVEGVQGW-CYBMUJFWSA-N 2 0 330.451 3.187 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000354898311 166058138 /nfs/dbraw/zinc/05/81/38/166058138.db2.gz SNZIROQAKBMBLC-HDICACEKSA-N 2 0 340.552 3.403 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000350150938 165012950 /nfs/dbraw/zinc/01/29/50/165012950.db2.gz WNSSXXAAOKNITC-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP CC[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+](CC)CC ZINC000354994278 166082101 /nfs/dbraw/zinc/08/21/01/166082101.db2.gz DIICQBTYVIMZHH-LJQANCHMSA-N 2 0 331.504 3.384 20 0 EGADRP CN1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000352091012 165230236 /nfs/dbraw/zinc/23/02/36/165230236.db2.gz CPKXCLQCWBNEHF-RXVVDRJESA-N 2 0 338.451 3.035 20 0 EGADRP C[S@](=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000355228334 166141207 /nfs/dbraw/zinc/14/12/07/166141207.db2.gz UZXHICUBYJLTIH-CYFREDJKSA-N 2 0 342.508 3.036 20 0 EGADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357077664 166577769 /nfs/dbraw/zinc/57/77/69/166577769.db2.gz KUXWOLGUUAICSU-GDBMZVCRSA-N 2 0 347.528 3.057 20 0 EGADRP CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000358049780 166824519 /nfs/dbraw/zinc/82/45/19/166824519.db2.gz RYDASLNLIRCOCH-GOSISDBHSA-N 2 0 345.531 3.427 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CNCc2cccc(Br)c2OC)C1 ZINC000359015126 167037284 /nfs/dbraw/zinc/03/72/84/167037284.db2.gz BXBIYLKFCJISCM-ZDUSSCGKSA-N 2 0 341.293 3.279 20 0 EGADRP COc1cccc(C[N@H+](CCC2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000359223950 167100140 /nfs/dbraw/zinc/10/01/40/167100140.db2.gz RKAJEKGCLXULIA-FQEVSTJZSA-N 2 0 332.488 3.066 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000359555641 167191834 /nfs/dbraw/zinc/19/18/34/167191834.db2.gz KWIYTLPUNODCRX-YJBOKZPZSA-N 2 0 343.471 3.200 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2COC)[C@@H](C)C1 ZINC000359673609 167208042 /nfs/dbraw/zinc/20/80/42/167208042.db2.gz JCQXYUSZCBJAPZ-FXAWDEMLSA-N 2 0 334.504 3.060 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1C ZINC000359867339 167253036 /nfs/dbraw/zinc/25/30/36/167253036.db2.gz BWKMXYFQXITTLV-AEFFLSMTSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000359890706 167259747 /nfs/dbraw/zinc/25/97/47/167259747.db2.gz VUQAOOFWSFIOJB-MISYRCLQSA-N 2 0 345.531 3.134 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360629417 167374429 /nfs/dbraw/zinc/37/44/29/167374429.db2.gz MRZYPUHCRKDRPH-IBGZPJMESA-N 2 0 334.479 3.070 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000367765826 168268411 /nfs/dbraw/zinc/26/84/11/168268411.db2.gz SDKIUOOIECGASO-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000158487799 225027073 /nfs/dbraw/zinc/02/70/73/225027073.db2.gz NHZMWPHDLLQMSS-HNNXBMFYSA-N 2 0 344.890 3.338 20 0 EGADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000123221606 222238493 /nfs/dbraw/zinc/23/84/93/222238493.db2.gz WUSCASLFSLCYSL-VAMGGRTRSA-N 2 0 330.516 3.395 20 0 EGADRP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000177490742 265256909 /nfs/dbraw/zinc/25/69/09/265256909.db2.gz YPEFUZURIAPERS-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000178035428 265293604 /nfs/dbraw/zinc/29/36/04/265293604.db2.gz XTQLMIINIZAWDO-QZTJIDSGSA-N 2 0 333.520 3.152 20 0 EGADRP CC[N@H+](CCCCn1ccnc1C)C[C@@H]1COc2ccccc2O1 ZINC000179039576 265357910 /nfs/dbraw/zinc/35/79/10/265357910.db2.gz BMBCGZXULLQJCJ-QGZVFWFLSA-N 2 0 329.444 3.134 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000237471665 266234904 /nfs/dbraw/zinc/23/49/04/266234904.db2.gz GRSRWPMGTZJAKP-QGZVFWFLSA-N 2 0 343.515 3.054 20 0 EGADRP C[NH+](CCCC[N@@H+](C)CCc1nccs1)CCc1nccs1 ZINC000269838976 266367620 /nfs/dbraw/zinc/36/76/20/266367620.db2.gz HRFBFSNVWHBJLP-UHFFFAOYSA-N 2 0 338.546 3.029 20 0 EGADRP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272657002 266890939 /nfs/dbraw/zinc/89/09/39/266890939.db2.gz GWYZKKJMHQPLKI-VAMGGRTRSA-N 2 0 330.516 3.285 20 0 EGADRP Cc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000274474953 267243821 /nfs/dbraw/zinc/24/38/21/267243821.db2.gz NCHTZDIUUDTQMS-CQSZACIVSA-N 2 0 330.451 3.120 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278376459 268000080 /nfs/dbraw/zinc/00/00/80/268000080.db2.gz DWDSVMAGISSTHW-RXVVDRJESA-N 3 0 341.543 3.361 20 0 EGADRP Fc1ccc(N2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)c(F)c1 ZINC000278439884 268013979 /nfs/dbraw/zinc/01/39/79/268013979.db2.gz KGHMOBPSXHVPPY-UHFFFAOYSA-N 2 0 349.469 3.398 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000268446995 273529549 /nfs/dbraw/zinc/52/95/49/273529549.db2.gz UNAYZOHQBGWTDI-UHFFFAOYSA-N 2 0 330.394 3.030 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)C[NH+]1CCCCC1 ZINC000237440541 275231724 /nfs/dbraw/zinc/23/17/24/275231724.db2.gz LNJOTSCWRCXSSX-IRXDYDNUSA-N 2 0 332.488 3.448 20 0 EGADRP COc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1O ZINC000245552562 275232563 /nfs/dbraw/zinc/23/25/63/275232563.db2.gz DBAOVMWBWKTHDH-AEFFLSMTSA-N 2 0 332.488 3.487 20 0 EGADRP Cn1c2ccccc2nc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278850097 275280764 /nfs/dbraw/zinc/28/07/64/275280764.db2.gz LUNFCFLUZOSUOP-UHFFFAOYSA-N 2 0 335.455 3.490 20 0 EGADRP O[C@@H](Cc1ccc2ccccc2c1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000279758564 275356808 /nfs/dbraw/zinc/35/68/08/275356808.db2.gz RDCYLCKTIXONHK-KNQAVFIVSA-N 2 0 338.495 3.161 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)n1cncn1 ZINC000284297168 275789414 /nfs/dbraw/zinc/78/94/14/275789414.db2.gz YKXVXNJWSWFMRT-KRWDZBQOSA-N 2 0 341.503 3.177 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000285574408 275891013 /nfs/dbraw/zinc/89/10/13/275891013.db2.gz IEGUPYDQSWTFIL-IAGOWNOFSA-N 2 0 329.492 3.428 20 0 EGADRP COc1ccccc1O[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000286502297 276009041 /nfs/dbraw/zinc/00/90/41/276009041.db2.gz PTXOLKUQPHLGEC-ROUUACIJSA-N 2 0 332.488 3.413 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)C1 ZINC000286969859 276064621 /nfs/dbraw/zinc/06/46/21/276064621.db2.gz IIGNRTHCXVQRBX-DUXKGJEZSA-N 2 0 330.516 3.223 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287287921 276104733 /nfs/dbraw/zinc/10/47/33/276104733.db2.gz BVAJYEALCJGTKY-MSOLQXFVSA-N 2 0 341.503 3.286 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1OC ZINC000287603264 276138474 /nfs/dbraw/zinc/13/84/74/276138474.db2.gz SEAZKDQIPATDLN-OAHLLOKOSA-N 2 0 346.515 3.407 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287654419 276144236 /nfs/dbraw/zinc/14/42/36/276144236.db2.gz LJZTVDPGNIFAJW-MRXNPFEDSA-N 2 0 327.476 3.182 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000358683071 276300393 /nfs/dbraw/zinc/30/03/93/276300393.db2.gz CUXRDNGOCCSQFU-HNBVOPMISA-N 2 0 343.515 3.059 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCC(C)CC2)[C@H](C)C1 ZINC000359024423 276315134 /nfs/dbraw/zinc/31/51/34/276315134.db2.gz DPRVBSFKAYVSAL-WBFXSEPVSA-N 2 0 340.552 3.308 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000344410830 276353758 /nfs/dbraw/zinc/35/37/58/276353758.db2.gz BYHFETCCWMKGGR-IRXDYDNUSA-N 2 0 343.515 3.226 20 0 EGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccs1 ZINC000158472281 276586930 /nfs/dbraw/zinc/58/69/30/276586930.db2.gz LVVGKUKCNOUWIN-INIZCTEOSA-N 2 0 330.501 3.136 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[C@@H]1C ZINC000354635464 277066020 /nfs/dbraw/zinc/06/60/20/277066020.db2.gz RDRIPLHCTFAFBD-ILYVXUQDSA-N 2 0 336.520 3.207 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@@H]1c1cccs1 ZINC000263116688 277073702 /nfs/dbraw/zinc/07/37/02/277073702.db2.gz AQEILAWQQXDDJM-LORHWOILSA-N 2 0 349.544 3.155 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000182271948 278358593 /nfs/dbraw/zinc/35/85/93/278358593.db2.gz DQDLRPHKEMAFQD-VLIAUNLRSA-N 2 0 346.421 3.382 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000368727415 279153345 /nfs/dbraw/zinc/15/33/45/279153345.db2.gz JDFHDTHZRPOQNW-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000173310447 279274567 /nfs/dbraw/zinc/27/45/67/279274567.db2.gz OEBYHQHPBRFXEN-OAHLLOKOSA-N 2 0 343.471 3.099 20 0 EGADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000357593686 281308547 /nfs/dbraw/zinc/30/85/47/281308547.db2.gz HWBJVONLNDBTJV-SJLPKXTDSA-N 2 0 325.456 3.151 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000051694367 303362025 /nfs/dbraw/zinc/36/20/25/303362025.db2.gz NQEKXFWAMXSHLO-ORHYLEIMSA-N 2 0 325.250 3.132 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1)CN1CC[NH+](C)CC1 ZINC000414083201 309059873 /nfs/dbraw/zinc/05/98/73/309059873.db2.gz WAHFMNJZHHJYNK-KPFFTGBYSA-N 2 0 349.950 3.449 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000414170092 309064432 /nfs/dbraw/zinc/06/44/32/309064432.db2.gz BPNJSEODLUSDCB-SJORKVTESA-N 2 0 329.488 3.196 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000414176110 309064886 /nfs/dbraw/zinc/06/48/86/309064886.db2.gz HZJFPYKDSNLTKL-HIFRSBDPSA-N 2 0 325.522 3.023 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000158565714 307860920 /nfs/dbraw/zinc/86/09/20/307860920.db2.gz PAUSBFIQXXUBGF-HOTGVXAUSA-N 2 0 349.485 3.361 20 0 EGADRP CC(C)=CCC[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163508212 307922949 /nfs/dbraw/zinc/92/29/49/307922949.db2.gz UQOSNFWVIVDMCA-KRWDZBQOSA-N 2 0 337.552 3.338 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000248413722 308002588 /nfs/dbraw/zinc/00/25/88/308002588.db2.gz LODQXZZRJBYSAF-FYKMYLNBSA-N 2 0 341.543 3.215 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248575696 308006085 /nfs/dbraw/zinc/00/60/85/308006085.db2.gz SYQWOZWHGTYIPU-SGLNWRHMSA-N 3 0 329.532 3.215 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292997976 308088485 /nfs/dbraw/zinc/08/84/85/308088485.db2.gz OPCXNDYAGYLGFK-KXBFYZLASA-N 2 0 326.444 3.215 20 0 EGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000293079377 308097243 /nfs/dbraw/zinc/09/72/43/308097243.db2.gz WCSHPNTWAZSHCS-SFHVURJKSA-N 2 0 335.879 3.086 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293770753 308160499 /nfs/dbraw/zinc/16/04/99/308160499.db2.gz SBWGPYDGIYZGPB-INIZCTEOSA-N 2 0 335.467 3.399 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293807900 308164095 /nfs/dbraw/zinc/16/40/95/308164095.db2.gz VJQXDFBDFAHSKR-QWHCGFSZSA-N 2 0 345.409 3.210 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293840510 308166757 /nfs/dbraw/zinc/16/67/57/308166757.db2.gz SUSREELFJBFGRQ-FQEVSTJZSA-N 2 0 349.950 3.278 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927602 308174798 /nfs/dbraw/zinc/17/47/98/308174798.db2.gz YMYZDIBTMDKBAG-YTQUADARSA-N 2 0 340.467 3.415 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)cc1)C(C)C ZINC000294017930 308183355 /nfs/dbraw/zinc/18/33/55/308183355.db2.gz YUMZNKNJROMFNU-OAQYLSRUSA-N 2 0 343.515 3.085 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCO2 ZINC000294356066 308213491 /nfs/dbraw/zinc/21/34/91/308213491.db2.gz ZRUWKXTXACQMMA-SFHVURJKSA-N 2 0 327.403 3.303 20 0 EGADRP CC[C@H](C)[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000294831210 308261805 /nfs/dbraw/zinc/26/18/05/308261805.db2.gz PZFWTMONHBCRGD-UWJYYQICSA-N 2 0 347.547 3.368 20 0 EGADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000294993000 308279724 /nfs/dbraw/zinc/27/97/24/308279724.db2.gz QOZGVPRDASIPGH-NRSPTQNISA-N 2 0 328.500 3.193 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000295200991 308302389 /nfs/dbraw/zinc/30/23/89/308302389.db2.gz PBINUYAAMGJKIS-NSHGMRRFSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)C[C@@H](C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000295356918 308318092 /nfs/dbraw/zinc/31/80/92/308318092.db2.gz RETZUJNVZFCMER-TZIWHRDSSA-N 2 0 329.532 3.313 20 0 EGADRP CC1(c2nc(C3([NH3+])CCCC3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000414620043 309091924 /nfs/dbraw/zinc/09/19/24/309091924.db2.gz PBMOTIQNRHQDMW-UHFFFAOYSA-N 2 0 340.471 3.351 20 0 EGADRP CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1cc2ccccc2o1 ZINC000414695399 309095821 /nfs/dbraw/zinc/09/58/21/309095821.db2.gz UPYAZCWUTYIOBN-CVEARBPZSA-N 2 0 343.471 3.013 20 0 EGADRP CCCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccccc1 ZINC000414718900 309097305 /nfs/dbraw/zinc/09/73/05/309097305.db2.gz ZWVFPMOKRVYBPK-QZTJIDSGSA-N 2 0 331.504 3.047 20 0 EGADRP CCOc1cc2c(cc1OCC)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414682059 309095250 /nfs/dbraw/zinc/09/52/50/309095250.db2.gz XNCYUKKIOTZJAW-HZPDHXFCSA-N 2 0 332.488 3.230 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC(C)C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695724 309095746 /nfs/dbraw/zinc/09/57/46/309095746.db2.gz OPSGYTJEIFDPBR-AZUAARDMSA-N 2 0 345.531 3.293 20 0 EGADRP CCCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414773089 309099973 /nfs/dbraw/zinc/09/99/73/309099973.db2.gz CWQZMECIOQCCMJ-QZTJIDSGSA-N 2 0 332.488 3.306 20 0 EGADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000297363284 308526873 /nfs/dbraw/zinc/52/68/73/308526873.db2.gz FZESZHLAXLCDJA-GOSISDBHSA-N 2 0 349.837 3.166 20 0 EGADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414751104 309098843 /nfs/dbraw/zinc/09/88/43/309098843.db2.gz ZSPZFAVNIVRTMW-FGTMMUONSA-N 2 0 331.504 3.422 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)sc1Br ZINC000414767318 309099495 /nfs/dbraw/zinc/09/94/95/309099495.db2.gz JQUSFACEDLFGBR-TXEJJXNPSA-N 2 0 329.307 3.250 20 0 EGADRP Cc1cc(Br)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000414768606 309099614 /nfs/dbraw/zinc/09/96/14/309099614.db2.gz MANQKIHWIASLLU-TXEJJXNPSA-N 2 0 329.307 3.250 20 0 EGADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000297599208 308549175 /nfs/dbraw/zinc/54/91/75/308549175.db2.gz UEUFKDIDTCMQMB-UHFFFAOYSA-N 2 0 344.459 3.071 20 0 EGADRP C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297611637 308549820 /nfs/dbraw/zinc/54/98/20/308549820.db2.gz KQJLGERITNZHGY-OXJNMPFZSA-N 2 0 325.456 3.152 20 0 EGADRP Clc1cc2c(c(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c1)OCC2 ZINC000297613935 308550269 /nfs/dbraw/zinc/55/02/69/308550269.db2.gz KVGNTCZVEJBVCQ-UHFFFAOYSA-N 2 0 343.858 3.429 20 0 EGADRP COC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(F)c1 ZINC000297644081 308552614 /nfs/dbraw/zinc/55/26/14/308552614.db2.gz MXABFGPWKQIZLZ-IBGZPJMESA-N 2 0 347.409 3.306 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000297742761 308560397 /nfs/dbraw/zinc/56/03/97/308560397.db2.gz TUHFHXYKSBMYDB-UHFFFAOYSA-N 2 0 332.517 3.403 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]CCc3cccc(Cl)c3)CC2)CC1 ZINC000298290755 308600901 /nfs/dbraw/zinc/60/09/01/308600901.db2.gz HEUJNAXMGMQREB-UHFFFAOYSA-N 2 0 335.923 3.031 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414799111 309102195 /nfs/dbraw/zinc/10/21/95/309102195.db2.gz JOLQIZFJALMFLK-UKRRQHHQSA-N 2 0 338.377 3.108 20 0 EGADRP Cc1cc(C)cc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298548553 308623682 /nfs/dbraw/zinc/62/36/82/308623682.db2.gz UJRUXWWXYODFDU-UHFFFAOYSA-N 2 0 325.456 3.336 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414823469 309103814 /nfs/dbraw/zinc/10/38/14/309103814.db2.gz DJTMELJARLRLNP-IBGZPJMESA-N 2 0 340.467 3.363 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414822566 309103861 /nfs/dbraw/zinc/10/38/61/309103861.db2.gz AMKBMZMVKCTZMQ-GXTWGEPZSA-N 2 0 326.868 3.225 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414830196 309104280 /nfs/dbraw/zinc/10/42/80/309104280.db2.gz ASOHYVYJRPOPCW-SECBINFHSA-N 2 0 339.199 3.413 20 0 EGADRP CCc1cc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333867564 308870108 /nfs/dbraw/zinc/87/01/08/308870108.db2.gz RHNAJAGDSRLPSE-XLIONFOSSA-N 2 0 325.456 3.130 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414848929 309105378 /nfs/dbraw/zinc/10/53/78/309105378.db2.gz GWLMFQMKVWRXFC-TZMCWYRMSA-N 2 0 326.868 3.225 20 0 EGADRP C[NH2+]CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414859704 309105944 /nfs/dbraw/zinc/10/59/44/309105944.db2.gz NAIPBQUZIIXPSH-UHFFFAOYSA-N 2 0 326.469 3.300 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCC1([NH3+])CCC1 ZINC000414874056 309106763 /nfs/dbraw/zinc/10/67/63/309106763.db2.gz HYBGUVPVBSOWRD-UHFFFAOYSA-N 2 0 332.879 3.173 20 0 EGADRP COc1cccc(C[C@@H](C)[NH2+][C@H](CN)c2ccc3ccccc3c2)n1 ZINC000414934605 309110018 /nfs/dbraw/zinc/11/00/18/309110018.db2.gz FIASVAHCSLPNSP-FOIQADDNSA-N 2 0 335.451 3.464 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414974657 309112331 /nfs/dbraw/zinc/11/23/31/309112331.db2.gz NULFNWYSDWAMFY-IBGZPJMESA-N 2 0 326.488 3.170 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414985340 309112862 /nfs/dbraw/zinc/11/28/62/309112862.db2.gz BFHMSJKSZDKOGM-YPMHNXCESA-N 2 0 327.266 3.065 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415005752 309113767 /nfs/dbraw/zinc/11/37/67/309113767.db2.gz PSFAHKXZIHSLCC-ZBFHGGJFSA-N 2 0 348.441 3.374 20 0 EGADRP COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415013269 309114209 /nfs/dbraw/zinc/11/42/09/309114209.db2.gz YKNUFGLNUNIWDY-BXUZGUMPSA-N 2 0 327.266 3.065 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000415027189 309115162 /nfs/dbraw/zinc/11/51/62/309115162.db2.gz VTZKOOOFWWPOGL-OOOLTRJPSA-N 3 0 341.543 3.252 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(OC(F)F)c1 ZINC000415028092 309115240 /nfs/dbraw/zinc/11/52/40/309115240.db2.gz XUSGUPWHAHCTPY-JOCQHMNTSA-N 2 0 328.403 3.151 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000415045915 309116265 /nfs/dbraw/zinc/11/62/65/309116265.db2.gz UPZCDAHNIXEUSY-ONGXEEELSA-N 2 0 349.219 3.268 20 0 EGADRP COc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc(OC)c1OC ZINC000415054335 309116972 /nfs/dbraw/zinc/11/69/72/309116972.db2.gz NHARPMUCHPTFSS-QGZVFWFLSA-N 2 0 344.455 3.282 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cc2)cs1 ZINC000415057447 309117231 /nfs/dbraw/zinc/11/72/31/309117231.db2.gz STKVESRFMUIBMZ-AUUYWEPGSA-N 2 0 345.512 3.447 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415077836 309118634 /nfs/dbraw/zinc/11/86/34/309118634.db2.gz FPBFSZDHWRUDRM-XLIONFOSSA-N 2 0 326.488 3.332 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415077835 309118767 /nfs/dbraw/zinc/11/87/67/309118767.db2.gz FPBFSZDHWRUDRM-PXNSSMCTSA-N 2 0 326.488 3.332 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415091392 309119651 /nfs/dbraw/zinc/11/96/51/309119651.db2.gz ZBGFZDSWIQKZBR-DGCLKSJQSA-N 2 0 329.257 3.251 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000415103085 309120539 /nfs/dbraw/zinc/12/05/39/309120539.db2.gz FMODJNWMDRLMIL-SJLPKXTDSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000415115218 309121203 /nfs/dbraw/zinc/12/12/03/309121203.db2.gz WUXFEBIOYWYBBQ-SJORKVTESA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000415117488 309121355 /nfs/dbraw/zinc/12/13/55/309121355.db2.gz ZKXRKWVEDXYFKA-HIFRSBDPSA-N 2 0 348.434 3.485 20 0 EGADRP COc1cccc(Cl)c1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415118909 309121523 /nfs/dbraw/zinc/12/15/23/309121523.db2.gz DRSZIIQRJXWLPQ-KSSFIOAISA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415119023 309121571 /nfs/dbraw/zinc/12/15/71/309121571.db2.gz FCARORHETKBJMU-ICSRJNTNSA-N 2 0 332.488 3.192 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000415132711 309122889 /nfs/dbraw/zinc/12/28/89/309122889.db2.gz UJNCCZCZGQBAFK-ZWKOTPCHSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000415134326 309123020 /nfs/dbraw/zinc/12/30/20/309123020.db2.gz VZQOWSLGHSPQFA-OAQYLSRUSA-N 2 0 347.466 3.241 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000415137189 309123201 /nfs/dbraw/zinc/12/32/01/309123201.db2.gz XXRLZBNVTXLUEG-IRXDYDNUSA-N 2 0 342.405 3.424 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000415925801 309149131 /nfs/dbraw/zinc/14/91/31/309149131.db2.gz UIESIJDORXYORG-HNAYVOBHSA-N 2 0 340.471 3.219 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000415931005 309149500 /nfs/dbraw/zinc/14/95/00/309149500.db2.gz KZTRXSNMNYIEIH-LJQANCHMSA-N 2 0 346.519 3.284 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000415937900 309150074 /nfs/dbraw/zinc/15/00/74/309150074.db2.gz XJESOLHBKZOESD-UHFFFAOYSA-N 2 0 340.471 3.179 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000415972924 309152248 /nfs/dbraw/zinc/15/22/48/309152248.db2.gz NKOOCYRBZPDOSB-IAGOWNOFSA-N 2 0 346.519 3.286 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983478 309152852 /nfs/dbraw/zinc/15/28/52/309152852.db2.gz ZNUDAYAEWUNRMY-UHFFFAOYSA-N 2 0 332.492 3.121 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416129634 309160031 /nfs/dbraw/zinc/16/00/31/309160031.db2.gz DAGSEIMDKMEHAT-LJQANCHMSA-N 2 0 331.504 3.011 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000416244984 309165452 /nfs/dbraw/zinc/16/54/52/309165452.db2.gz WZHLBVMDLHSQIW-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312099 309201215 /nfs/dbraw/zinc/20/12/15/309201215.db2.gz REQDURDCSZIKIW-HYVNUMGLSA-N 2 0 345.512 3.365 20 0 EGADRP C[C@H](CCCC[NH3+])NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417693067 309218261 /nfs/dbraw/zinc/21/82/61/309218261.db2.gz PUUNRWUIQDZKFI-SJORKVTESA-N 2 0 346.519 3.029 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418339149 309243063 /nfs/dbraw/zinc/24/30/63/309243063.db2.gz BGYUQNQPXABTET-LJQANCHMSA-N 2 0 348.535 3.183 20 0 EGADRP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000419133499 309260703 /nfs/dbraw/zinc/26/07/03/309260703.db2.gz GYEVKJSTWMCWRD-UHFFFAOYSA-N 2 0 345.531 3.315 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)CCC2)c1 ZINC000420292907 309279712 /nfs/dbraw/zinc/27/97/12/309279712.db2.gz QHKLCKNUBOPHTJ-IEBWSBKVSA-N 2 0 346.515 3.441 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000420294928 309279818 /nfs/dbraw/zinc/27/98/18/309279818.db2.gz BNAIYEIHWVLBID-ZWKOTPCHSA-N 2 0 340.467 3.236 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CCC[NH2+]C1 ZINC000420299063 309280175 /nfs/dbraw/zinc/28/01/75/309280175.db2.gz GEQHKNNSERDRTR-QGZVFWFLSA-N 2 0 326.488 3.331 20 0 EGADRP Clc1ccc(O[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420303416 309280448 /nfs/dbraw/zinc/28/04/48/309280448.db2.gz NIGNKRCJYCONQD-JSGCOSHPSA-N 2 0 329.271 3.446 20 0 EGADRP C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1c1ccccc1 ZINC000420302504 309280482 /nfs/dbraw/zinc/28/04/82/309280482.db2.gz MKCBAKRCRUFOEE-MQGJPIDWSA-N 2 0 338.495 3.043 20 0 EGADRP Cn1ccnc1C[N@H+](CCCCC(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000420310608 309280899 /nfs/dbraw/zinc/28/08/99/309280899.db2.gz MMLFRKKACDICRU-AWEZNQCLSA-N 2 0 344.425 3.097 20 0 EGADRP Cn1ccnc1C[N@H+](CCCc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420308038 309281005 /nfs/dbraw/zinc/28/10/05/309281005.db2.gz JSARYINNSNNLOX-QGZVFWFLSA-N 2 0 344.528 3.059 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000420310927 309281169 /nfs/dbraw/zinc/28/11/69/309281169.db2.gz VJYHTBZZAKZMHJ-IHPCNDPISA-N 2 0 344.886 3.060 20 0 EGADRP COC(=O)c1cc2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)ccc2o1 ZINC000420316303 309281609 /nfs/dbraw/zinc/28/16/09/309281609.db2.gz NFJKVAMIYQZQDH-INIZCTEOSA-N 2 0 342.439 3.041 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1C ZINC000420333181 309282731 /nfs/dbraw/zinc/28/27/31/309282731.db2.gz FDQIPVODHZDVFU-VQIMIIECSA-N 2 0 329.488 3.094 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334322 309282801 /nfs/dbraw/zinc/28/28/01/309282801.db2.gz GDSKIECXPQEZCI-KSZLIROESA-N 2 0 343.515 3.459 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420336002 309282976 /nfs/dbraw/zinc/28/29/76/309282976.db2.gz IIZVNHYGUSVBCL-RDTXWAMCSA-N 2 0 347.528 3.200 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336643 309283041 /nfs/dbraw/zinc/28/30/41/309283041.db2.gz IYVYJXWZBNVBNP-SJLPKXTDSA-N 2 0 329.488 3.094 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420341167 309283267 /nfs/dbraw/zinc/28/32/67/309283267.db2.gz NWWJYIPOAXIVSJ-KBXCAEBGSA-N 2 0 347.528 3.200 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339515 309283305 /nfs/dbraw/zinc/28/33/05/309283305.db2.gz LXJQPPSVFATALD-CVEARBPZSA-N 2 0 347.528 3.059 20 0 EGADRP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420345338 309283444 /nfs/dbraw/zinc/28/34/44/309283444.db2.gz VWJWWJOJZBZSJE-LSDHHAIUSA-N 2 0 346.862 3.212 20 0 EGADRP CC[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000420383740 309285485 /nfs/dbraw/zinc/28/54/85/309285485.db2.gz ZYKUCADTLOTMGW-FHWLQOOXSA-N 2 0 332.875 3.312 20 0 EGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420384283 309285623 /nfs/dbraw/zinc/28/56/23/309285623.db2.gz RLYRMJPUHFEGLM-IAGOWNOFSA-N 2 0 333.867 3.178 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420399104 309286609 /nfs/dbraw/zinc/28/66/09/309286609.db2.gz ZNHVWMQHPRLFFE-FPOVZHCZSA-N 2 0 346.515 3.291 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000420405886 309286665 /nfs/dbraw/zinc/28/66/65/309286665.db2.gz NBWQCDYSFHIPAV-FKBYEOEOSA-N 2 0 338.495 3.438 20 0 EGADRP Cn1c2ccccc2nc1[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420418663 309287128 /nfs/dbraw/zinc/28/71/28/309287128.db2.gz XDQWIFLBKBMHJN-OXQOHEQNSA-N 2 0 334.467 3.252 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4ccccc4o3)CC2)CC1 ZINC000420973352 309305354 /nfs/dbraw/zinc/30/53/54/309305354.db2.gz CAYZYDCWAHQSIE-UHFFFAOYSA-N 2 0 341.499 3.425 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000421400220 309323129 /nfs/dbraw/zinc/32/31/29/309323129.db2.gz JWBPGEHXTUKBCX-LNLFQRSKSA-N 2 0 338.536 3.203 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000421402809 309323199 /nfs/dbraw/zinc/32/31/99/309323199.db2.gz MXPWFDFOQAKSBB-AOIWGVFYSA-N 2 0 338.536 3.203 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCc3cccnc3CC2)c1 ZINC000421820093 309341403 /nfs/dbraw/zinc/34/14/03/309341403.db2.gz KPPJQHRGEGSTDF-LJQANCHMSA-N 2 0 339.483 3.059 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421823598 309341594 /nfs/dbraw/zinc/34/15/94/309341594.db2.gz ZYXMLSNSAREEBM-HNNXBMFYSA-N 2 0 341.902 3.027 20 0 EGADRP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCCC1 ZINC000421826140 309341776 /nfs/dbraw/zinc/34/17/76/309341776.db2.gz RCKNLXLFKCUESK-QUCCMNQESA-N 2 0 330.516 3.488 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc(C)n1 ZINC000421889208 309345169 /nfs/dbraw/zinc/34/51/69/309345169.db2.gz UIIBTUVNICPETJ-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP CC[C@H](C(=O)NCc1cc(C)nc(C)c1)[N@H+](C)Cc1ccccc1 ZINC000421903736 309345806 /nfs/dbraw/zinc/34/58/06/309345806.db2.gz CCTJQYJOQXXORL-LJQANCHMSA-N 2 0 325.456 3.225 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000422692001 309363328 /nfs/dbraw/zinc/36/33/28/309363328.db2.gz JRJYNDKMVREAHW-JYJNAYRXSA-N 2 0 343.471 3.446 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422702139 309363833 /nfs/dbraw/zinc/36/38/33/309363833.db2.gz KCYCNQNUGIYAGJ-DOMZBBRYSA-N 2 0 329.257 3.238 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccn2)cc1 ZINC000422706517 309363977 /nfs/dbraw/zinc/36/39/77/309363977.db2.gz FDSDLWIDDDPNQE-LSDHHAIUSA-N 2 0 329.444 3.488 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422713384 309364311 /nfs/dbraw/zinc/36/43/11/309364311.db2.gz JORIZGJVZNTIEK-FCEUIQTBSA-N 2 0 343.559 3.451 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2sccc2C1 ZINC000422715056 309364320 /nfs/dbraw/zinc/36/43/20/309364320.db2.gz LVHMSUBYIPWEKG-BZZMCLGOSA-N 2 0 333.545 3.005 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000422719743 309364808 /nfs/dbraw/zinc/36/48/08/309364808.db2.gz RERPRWJOKIQKAM-SOLBZPMBSA-N 2 0 335.561 3.395 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723339 309365195 /nfs/dbraw/zinc/36/51/95/309365195.db2.gz RBPWMLIYZMEQJI-KXBFYZLASA-N 2 0 337.458 3.036 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422728580 309365477 /nfs/dbraw/zinc/36/54/77/309365477.db2.gz JKRLVKUJPSDCBG-GJZGRUSLSA-N 2 0 326.444 3.112 20 0 EGADRP CC[N@H+](C)Cc1cccc(CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422742505 309366175 /nfs/dbraw/zinc/36/61/75/309366175.db2.gz QBMTWMIYAICHJW-DYESRHJHSA-N 2 0 325.500 3.186 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422747468 309366213 /nfs/dbraw/zinc/36/62/13/309366213.db2.gz YUVOZLMDLUJGJG-OBJCFNGXSA-N 2 0 327.516 3.332 20 0 EGADRP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422744368 309366306 /nfs/dbraw/zinc/36/63/06/309366306.db2.gz VXNBITYPWWQCNM-XOKHGSTOSA-N 2 0 343.298 3.283 20 0 EGADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422757551 309366837 /nfs/dbraw/zinc/36/68/37/309366837.db2.gz JQGOZOVWTGUTGL-JKSUJKDBSA-N 2 0 342.405 3.223 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCCC1 ZINC000422764099 309367193 /nfs/dbraw/zinc/36/71/93/309367193.db2.gz PLVRYHAIQVOWJA-WBAXXEDZSA-N 2 0 336.907 3.494 20 0 EGADRP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000422770055 309367421 /nfs/dbraw/zinc/36/74/21/309367421.db2.gz WHHWGLPPKNFRKT-SLFFLAALSA-N 2 0 342.531 3.259 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422773264 309367569 /nfs/dbraw/zinc/36/75/69/309367569.db2.gz ZOUATVPUHSKRKC-UONOGXRCSA-N 2 0 344.421 3.469 20 0 EGADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422773516 309367732 /nfs/dbraw/zinc/36/77/32/309367732.db2.gz UGSZSMIWBSNVDV-JKSUJKDBSA-N 2 0 328.456 3.490 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1Br ZINC000422830784 309370747 /nfs/dbraw/zinc/37/07/47/309370747.db2.gz CYXNVIIFNYVHSL-UMVBOHGHSA-N 2 0 341.293 3.324 20 0 EGADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422840721 309371256 /nfs/dbraw/zinc/37/12/56/309371256.db2.gz UNILTDFTCTUPNO-XUVXKRRUSA-N 2 0 330.516 3.273 20 0 EGADRP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422843429 309371457 /nfs/dbraw/zinc/37/14/57/309371457.db2.gz IFVAEAKBGDZWRQ-VAMGGRTRSA-N 2 0 330.516 3.273 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(O[C@H]2CCOC2)c1 ZINC000422869888 309372827 /nfs/dbraw/zinc/37/28/27/309372827.db2.gz AXFZKSJORDGADJ-ZGXWSNOMSA-N 2 0 344.499 3.173 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000422867460 309372857 /nfs/dbraw/zinc/37/28/57/309372857.db2.gz SHUZPEFCSVNAGQ-ZFWWWQNUSA-N 2 0 330.394 3.414 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1c(Cl)cccc1Cl ZINC000422875151 309373244 /nfs/dbraw/zinc/37/32/44/309373244.db2.gz CBPTXTSHUFGOJK-OXJKWZBOSA-N 2 0 331.287 3.439 20 0 EGADRP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)o1 ZINC000422884890 309374110 /nfs/dbraw/zinc/37/41/10/309374110.db2.gz XWMGLJXUDGEYKN-DNVCBOLYSA-N 2 0 342.487 3.238 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c2ccccc21 ZINC000422895744 309374785 /nfs/dbraw/zinc/37/47/85/309374785.db2.gz GMHUAKPHYQQJGA-XMCHAPAWSA-N 2 0 325.431 3.386 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CCCCC2)cc1 ZINC000422898753 309374946 /nfs/dbraw/zinc/37/49/46/309374946.db2.gz FUKHNVAYCRJWEA-LSTHTHJFSA-N 2 0 346.515 3.239 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901794 309375178 /nfs/dbraw/zinc/37/51/78/309375178.db2.gz CJIJZEFFXGIINW-QANKJYHBSA-N 2 0 339.886 3.161 20 0 EGADRP CCc1nc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422901961 309375229 /nfs/dbraw/zinc/37/52/29/309375229.db2.gz LZNRNCRMBAJRLR-APWZRJJASA-N 2 0 343.496 3.094 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000422903219 309375442 /nfs/dbraw/zinc/37/54/42/309375442.db2.gz FFGLUSXTGWEZJT-YLJYHZDGSA-N 2 0 339.483 3.344 20 0 EGADRP COc1ccc(COCCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422914053 309376103 /nfs/dbraw/zinc/37/61/03/309376103.db2.gz ZYYOPWPOQBRFQP-HNNXBMFYSA-N 2 0 343.471 3.115 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000422944240 309377293 /nfs/dbraw/zinc/37/72/93/309377293.db2.gz ZPXFMCMSTHCRAM-VIFPVBQESA-N 2 0 349.788 3.009 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422945251 309377531 /nfs/dbraw/zinc/37/75/31/309377531.db2.gz NGDRIGBVICCMNW-HOCLYGCPSA-N 2 0 344.528 3.243 20 0 EGADRP [NH3+]CC1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000422950292 309377751 /nfs/dbraw/zinc/37/77/51/309377751.db2.gz VSEGAZAFPYXNOP-UHFFFAOYSA-N 2 0 336.907 3.495 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422952040 309377765 /nfs/dbraw/zinc/37/77/65/309377765.db2.gz BJXRSIJWNXPWNW-WMZOPIPTSA-N 2 0 335.536 3.068 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000422996655 309380058 /nfs/dbraw/zinc/38/00/58/309380058.db2.gz MPPJAMTVRMNHFU-RISCZKNCSA-N 2 0 331.685 3.362 20 0 EGADRP C[C@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]1 ZINC000423011106 309380801 /nfs/dbraw/zinc/38/08/01/309380801.db2.gz YZYAQYBMZFCVEP-OXJNMPFZSA-N 2 0 327.472 3.142 20 0 EGADRP Clc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423020428 309381355 /nfs/dbraw/zinc/38/13/55/309381355.db2.gz BKJFTMABGWXFQN-BMGDILEWSA-N 2 0 334.891 3.118 20 0 EGADRP Clc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423020430 309381421 /nfs/dbraw/zinc/38/14/21/309381421.db2.gz BKJFTMABGWXFQN-JCGIZDLHSA-N 2 0 334.891 3.118 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000423026691 309381720 /nfs/dbraw/zinc/38/17/20/309381720.db2.gz BYDJPAVWHKHTBM-CYBMUJFWSA-N 2 0 343.309 3.497 20 0 EGADRP Cc1csc([C@H](C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423041686 309382586 /nfs/dbraw/zinc/38/25/86/309382586.db2.gz XRRIBKKQMDUOKK-NRXGSXMXSA-N 2 0 343.496 3.401 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(C)oc3ccccc32)CC[NH2+]CC1 ZINC000423051975 309383213 /nfs/dbraw/zinc/38/32/13/309383213.db2.gz PPECDWCWPQTHOK-OAHLLOKOSA-N 2 0 344.455 3.152 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423094086 309385497 /nfs/dbraw/zinc/38/54/97/309385497.db2.gz JIAHKVFVFMITDQ-VCQFHVMDSA-N 2 0 342.405 3.293 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423091606 309385579 /nfs/dbraw/zinc/38/55/79/309385579.db2.gz XXNYXLDYXYPEAN-SWYDAUSRSA-N 2 0 338.495 3.091 20 0 EGADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423110302 309386398 /nfs/dbraw/zinc/38/63/98/309386398.db2.gz PCKASQKSWPMGSC-RZXSNQJFSA-N 2 0 346.515 3.324 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423129651 309387450 /nfs/dbraw/zinc/38/74/50/309387450.db2.gz XMNIFHXZHYYMMX-IPMKNSEASA-N 2 0 328.504 3.001 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC000423145159 309388125 /nfs/dbraw/zinc/38/81/25/309388125.db2.gz JJKGNXKFLHBWRM-WMZOPIPTSA-N 2 0 344.499 3.018 20 0 EGADRP Cc1cccnc1CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423157529 309388702 /nfs/dbraw/zinc/38/87/02/309388702.db2.gz VMEMCKJNZUHPOC-TZIWHRDSSA-N 2 0 337.467 3.168 20 0 EGADRP COc1ccc([C@H](NC2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423185903 309389475 /nfs/dbraw/zinc/38/94/75/309389475.db2.gz NVEAQAXEZSXSPJ-MRXNPFEDSA-N 2 0 341.293 3.496 20 0 EGADRP Cc1c([C@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000423213343 309390645 /nfs/dbraw/zinc/39/06/45/309390645.db2.gz JULXBHZOTSMUBH-QGLTVNCISA-N 2 0 333.867 3.150 20 0 EGADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423217566 309390874 /nfs/dbraw/zinc/39/08/74/309390874.db2.gz QHOFLGNIWWIRFT-FNOBOGDDSA-N 3 0 329.532 3.407 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423220077 309391087 /nfs/dbraw/zinc/39/10/87/309391087.db2.gz XWKIUJLIKQIYKM-MXEMCNAFSA-N 3 0 327.516 3.019 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221465 309391211 /nfs/dbraw/zinc/39/12/11/309391211.db2.gz ZWWITNXWDUXYGN-MEBBXXQBSA-N 2 0 327.241 3.165 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423232571 309391716 /nfs/dbraw/zinc/39/17/16/309391716.db2.gz INUXZTMXUMSNPS-BURNTYAHSA-N 3 0 327.516 3.019 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000423251171 309392409 /nfs/dbraw/zinc/39/24/09/309392409.db2.gz RMPWELPUKNUTGF-NEPJUHHUSA-N 2 0 327.266 3.108 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423279623 309393695 /nfs/dbraw/zinc/39/36/95/309393695.db2.gz RSCHGKPSWQUWQF-IEZWGBDMSA-N 2 0 342.487 3.167 20 0 EGADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000423300730 309394547 /nfs/dbraw/zinc/39/45/47/309394547.db2.gz FEWXVZOIVVNJPW-FXTUREPZSA-N 2 0 340.511 3.426 20 0 EGADRP CC(C)(C(=O)NCCC[NH+]1CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000423299284 309394572 /nfs/dbraw/zinc/39/45/72/309394572.db2.gz BOYXCUYBZOUZFW-GOSISDBHSA-N 2 0 331.504 3.095 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423303525 309394679 /nfs/dbraw/zinc/39/46/79/309394679.db2.gz LYAGSXOMFZMMHI-UWHLTILDSA-N 2 0 327.516 3.019 20 0 EGADRP CC(C)(C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423316314 309394736 /nfs/dbraw/zinc/39/47/36/309394736.db2.gz ALHAQYOUBUDTGB-IBGZPJMESA-N 2 0 343.515 3.047 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000423314608 309394802 /nfs/dbraw/zinc/39/48/02/309394802.db2.gz YOKNORCXLFOVSV-PBHICJAKSA-N 2 0 343.496 3.335 20 0 EGADRP CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423326381 309395418 /nfs/dbraw/zinc/39/54/18/309395418.db2.gz KLGFOVOAXMAKET-NJDAHSKKSA-N 3 0 341.543 3.409 20 0 EGADRP CC1(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000423331522 309395496 /nfs/dbraw/zinc/39/54/96/309395496.db2.gz OQCFHXPJNBSRIP-GOSISDBHSA-N 2 0 331.410 3.429 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000423340778 309396187 /nfs/dbraw/zinc/39/61/87/309396187.db2.gz UAPPKYWZIVBSNN-MBOZVWFJSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000423353858 309396523 /nfs/dbraw/zinc/39/65/23/309396523.db2.gz DYNYJRMWTDOVLK-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000423358912 309397037 /nfs/dbraw/zinc/39/70/37/309397037.db2.gz UOJVPSHMZDGAOV-VQIMIIECSA-N 2 0 329.488 3.042 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000423363778 309397086 /nfs/dbraw/zinc/39/70/86/309397086.db2.gz VFOIMUOZDCDPEJ-BZSNNMDCSA-N 2 0 343.515 3.433 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000423382024 309398064 /nfs/dbraw/zinc/39/80/64/309398064.db2.gz JRSUXWLBLNBLJL-HFAKWTLXSA-N 2 0 327.241 3.435 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(SC)c(F)c2)CC[NH2+]CC1 ZINC000423400012 309398621 /nfs/dbraw/zinc/39/86/21/309398621.db2.gz FIWPHTYWDYCZSU-CYBMUJFWSA-N 2 0 326.481 3.214 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2CC[NH2+]C)C1 ZINC000423403456 309398764 /nfs/dbraw/zinc/39/87/64/309398764.db2.gz HRWWALFKIAWDJN-QGZVFWFLSA-N 2 0 345.531 3.079 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423407011 309398857 /nfs/dbraw/zinc/39/88/57/309398857.db2.gz LMKXLCDXEPGXBZ-HZPDHXFCSA-N 2 0 331.504 3.337 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@H](C)C1 ZINC000423418045 309399467 /nfs/dbraw/zinc/39/94/67/309399467.db2.gz UBPHWFRTOLSEHA-XLIONFOSSA-N 2 0 345.531 3.271 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000423422635 309399780 /nfs/dbraw/zinc/39/97/80/309399780.db2.gz BSOISUIGUDQUSE-NZVBXONLSA-N 2 0 328.378 3.466 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423491795 309402798 /nfs/dbraw/zinc/40/27/98/309402798.db2.gz KHGUVOAVBXUWTC-LNSITVRQSA-N 2 0 333.867 3.007 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423546123 309406011 /nfs/dbraw/zinc/40/60/11/309406011.db2.gz KETLJINKQCNJBE-UZKILMIQSA-N 2 0 332.463 3.271 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423553846 309406077 /nfs/dbraw/zinc/40/60/77/309406077.db2.gz WDFYEPBJFPBGAA-WNRNVDISSA-N 2 0 332.488 3.003 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427271429 309526160 /nfs/dbraw/zinc/52/61/60/309526160.db2.gz FDJIRIRYLYLIQM-QZTJIDSGSA-N 2 0 343.515 3.108 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427288093 309526493 /nfs/dbraw/zinc/52/64/93/309526493.db2.gz NVBIXYAJCBLUJD-IBGZPJMESA-N 2 0 345.531 3.137 20 0 EGADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000428347425 309548471 /nfs/dbraw/zinc/54/84/71/309548471.db2.gz HUJZNSZSUOOBOC-UHFFFAOYSA-N 2 0 349.519 3.431 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000430591912 309612287 /nfs/dbraw/zinc/61/22/87/309612287.db2.gz GLPAFEKJUAJLGS-UHFFFAOYSA-N 2 0 347.286 3.202 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000430708219 309615499 /nfs/dbraw/zinc/61/54/99/309615499.db2.gz RYWPUBGYMNVSNW-POAQFYNOSA-N 2 0 345.531 3.282 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000430772805 309617476 /nfs/dbraw/zinc/61/74/76/309617476.db2.gz NKEYARGRIULWLC-LEAZDLGRSA-N 2 0 345.531 3.339 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@H]2CCOC2)CC1 ZINC000438193785 309809026 /nfs/dbraw/zinc/80/90/26/309809026.db2.gz XLQMOGZTRIYILU-SJORKVTESA-N 2 0 349.494 3.045 20 0 EGADRP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605263 309904429 /nfs/dbraw/zinc/90/44/29/309904429.db2.gz NGQIKZLBKNGXJO-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP COc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1OC(C)C ZINC000446886915 309970330 /nfs/dbraw/zinc/97/03/30/309970330.db2.gz LRODFSYDWXBIJA-UHFFFAOYSA-N 2 0 332.488 3.446 20 0 EGADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)ccc1OC(F)F ZINC000447602635 309984116 /nfs/dbraw/zinc/98/41/16/309984116.db2.gz TWYAFADDZVIZJG-NSHDSACASA-N 2 0 336.810 3.170 20 0 EGADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000449080847 310035460 /nfs/dbraw/zinc/03/54/60/310035460.db2.gz ZQWNXNBHCCTJPH-MRXNPFEDSA-N 2 0 341.503 3.271 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000449090908 310036380 /nfs/dbraw/zinc/03/63/80/310036380.db2.gz IDDZOBATPMEFNH-RTBURBONSA-N 2 0 334.891 3.322 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCCC1 ZINC000449116283 310038189 /nfs/dbraw/zinc/03/81/89/310038189.db2.gz KTEHYYKDQGWSFE-IBGZPJMESA-N 2 0 331.504 3.036 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449172741 310042203 /nfs/dbraw/zinc/04/22/03/310042203.db2.gz DBXVMSOYADISOA-FQEVSTJZSA-N 2 0 328.500 3.456 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000449177332 310042564 /nfs/dbraw/zinc/04/25/64/310042564.db2.gz SDZKUWCRIPSXAU-SFHVURJKSA-N 2 0 331.504 3.288 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccccc2cc1OC ZINC000449221625 310045544 /nfs/dbraw/zinc/04/55/44/310045544.db2.gz KSNPFPWLFXITGO-IBGZPJMESA-N 2 0 330.472 3.295 20 0 EGADRP Cc1cccc(CC[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000449233849 310046543 /nfs/dbraw/zinc/04/65/43/310046543.db2.gz NLUAUOZGBGMGKA-QFIPXVFZSA-N 2 0 338.495 3.284 20 0 EGADRP C[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449515178 310068581 /nfs/dbraw/zinc/06/85/81/310068581.db2.gz ZPQBMAUJPJXAAT-FBEWHJACSA-N 2 0 342.527 3.284 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449582879 310073872 /nfs/dbraw/zinc/07/38/72/310073872.db2.gz HJYWOBOQVUVMDM-OWYHZJEWSA-N 2 0 336.520 3.351 20 0 EGADRP Cn1nccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000449596153 310074618 /nfs/dbraw/zinc/07/46/18/310074618.db2.gz WXOQASODVKNDDA-YLJYHZDGSA-N 2 0 346.519 3.027 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000449744395 310083599 /nfs/dbraw/zinc/08/35/99/310083599.db2.gz GTLAXKUIRUSVIC-UHFFFAOYSA-N 2 0 329.532 3.071 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)CCc2ccccc2)CC1 ZINC000449744602 310083928 /nfs/dbraw/zinc/08/39/28/310083928.db2.gz IKORPEBRIJUNIF-LJQANCHMSA-N 2 0 331.548 3.261 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000449757188 310084919 /nfs/dbraw/zinc/08/49/19/310084919.db2.gz XRVBQQPYWABIAY-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP CC(C)Oc1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000450253044 310111186 /nfs/dbraw/zinc/11/11/86/310111186.db2.gz LUKXFDDHUGMMCW-CVEARBPZSA-N 2 0 325.456 3.483 20 0 EGADRP COc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000450603076 310132550 /nfs/dbraw/zinc/13/25/50/310132550.db2.gz SJDGHWPHYTYBFT-UWWQBHOKSA-N 2 0 338.879 3.032 20 0 EGADRP CC(C)C[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000450612140 310132895 /nfs/dbraw/zinc/13/28/95/310132895.db2.gz JARZSRLVDFETKF-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CO[C@@H]1CC[NH+](CC(C)C[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451568537 310187057 /nfs/dbraw/zinc/18/70/57/310187057.db2.gz RULGBCUDBHJUTK-QZTJIDSGSA-N 2 0 340.552 3.116 20 0 EGADRP C[C@H](CCCc1cccnc1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000453083742 310256831 /nfs/dbraw/zinc/25/68/31/310256831.db2.gz NFOAFXAZTMSJSO-QYZOEREBSA-N 2 0 333.520 3.272 20 0 EGADRP CCC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)(C)C ZINC000453119430 310259239 /nfs/dbraw/zinc/25/92/39/310259239.db2.gz BPAAEHKGXCASOV-KRWDZBQOSA-N 2 0 339.568 3.418 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453212284 310264328 /nfs/dbraw/zinc/26/43/28/310264328.db2.gz OBUGFICKXOEZPT-QSUVIHHLSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273173 310268369 /nfs/dbraw/zinc/26/83/69/310268369.db2.gz VLDVWESXWUEVPX-UWJYYQICSA-N 2 0 339.483 3.246 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453388618 310274307 /nfs/dbraw/zinc/27/43/07/310274307.db2.gz BTEUOFSFCTYNCS-CQSZACIVSA-N 2 0 333.476 3.179 20 0 EGADRP CCn1ccnc1[C@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454373961 310306062 /nfs/dbraw/zinc/30/60/62/310306062.db2.gz RNMDEMZPAVLBHS-XHSDSOJGSA-N 2 0 349.523 3.020 20 0 EGADRP Cc1cc(C)c(CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000454386177 310306804 /nfs/dbraw/zinc/30/68/04/310306804.db2.gz XFDHZQJWTOOYCR-GASCZTMLSA-N 2 0 346.519 3.254 20 0 EGADRP C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000454543110 310315771 /nfs/dbraw/zinc/31/57/71/310315771.db2.gz CACONXGCROVOED-UHFFFAOYSA-N 2 0 346.519 3.177 20 0 EGADRP CC(C)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1C ZINC000455870256 310380452 /nfs/dbraw/zinc/38/04/52/310380452.db2.gz XADKCNLZPLTBHV-MOPGFXCFSA-N 2 0 344.503 3.039 20 0 EGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455931787 310382577 /nfs/dbraw/zinc/38/25/77/310382577.db2.gz PRFFLPRVGITHAB-HNAYVOBHSA-N 2 0 344.503 3.089 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)ccc21 ZINC000456255633 310395150 /nfs/dbraw/zinc/39/51/50/310395150.db2.gz CMBMMDYXQQRJPA-MOPGFXCFSA-N 2 0 327.472 3.048 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456338895 310399245 /nfs/dbraw/zinc/39/92/45/310399245.db2.gz OLZWIHPGWTZXAP-MSOLQXFVSA-N 2 0 345.531 3.134 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]1Sc1ccccc1 ZINC000459436047 310552595 /nfs/dbraw/zinc/55/25/95/310552595.db2.gz WNTLFQWAEPEORN-GUDVDZBRSA-N 2 0 334.529 3.256 20 0 EGADRP CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000486938619 311002931 /nfs/dbraw/zinc/00/29/31/311002931.db2.gz MSPCFWAHVAHADZ-IYBDPMFKSA-N 2 0 338.467 3.203 20 0 EGADRP CCN(C(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1)c1ccccc1 ZINC000488392582 311063242 /nfs/dbraw/zinc/06/32/42/311063242.db2.gz QKMQBRKGLVCPSJ-SFHVURJKSA-N 2 0 345.531 3.482 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCSC[C@@H](C)C2)CC1 ZINC000488396431 311063552 /nfs/dbraw/zinc/06/35/52/311063552.db2.gz KQDSXBMJNNGTIO-KRWDZBQOSA-N 2 0 333.545 3.013 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CS1 ZINC000488419270 311064863 /nfs/dbraw/zinc/06/48/63/311064863.db2.gz ZXUMXUALIJLDMF-VQTJNVASSA-N 2 0 347.572 3.054 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000488434218 311065413 /nfs/dbraw/zinc/06/54/13/311065413.db2.gz KMTUTIBDDCGRMF-UHFFFAOYSA-N 2 0 348.487 3.238 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)cc1)C1CC1 ZINC000489309784 311099246 /nfs/dbraw/zinc/09/92/46/311099246.db2.gz ZQLPUDVERMZNPH-FQEVSTJZSA-N 2 0 343.515 3.083 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)NC(=O)OC(C)(C)C ZINC000492439219 311250809 /nfs/dbraw/zinc/25/08/09/311250809.db2.gz VNALULDCYQQRQZ-OWCLPIDISA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494483465 311482813 /nfs/dbraw/zinc/48/28/13/311482813.db2.gz DGGJOKTYUUEIAD-GJZGRUSLSA-N 2 0 327.513 3.141 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000496468334 311716870 /nfs/dbraw/zinc/71/68/70/311716870.db2.gz HTPHKBLIIAIOMJ-OAHLLOKOSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000496670371 311747439 /nfs/dbraw/zinc/74/74/39/311747439.db2.gz AZHPHQMPLYGODZ-OKZBNKHCSA-N 2 0 345.487 3.018 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000496852899 311775215 /nfs/dbraw/zinc/77/52/15/311775215.db2.gz CIWQUWOJCGCAJG-KBAYOESNSA-N 2 0 333.476 3.007 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000507954631 312085663 /nfs/dbraw/zinc/08/56/63/312085663.db2.gz WWUXRYSRIUSYBO-PMXSJFBMSA-N 2 0 330.516 3.285 20 0 EGADRP Cc1cc(Cl)cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000512469942 312186752 /nfs/dbraw/zinc/18/67/52/312186752.db2.gz VAEXWEYGORRJSQ-UHFFFAOYSA-N 2 0 349.950 3.498 20 0 EGADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512665914 312191647 /nfs/dbraw/zinc/19/16/47/312191647.db2.gz IAXGUWCWENBJCF-OFOKGCAXSA-N 2 0 330.516 3.284 20 0 EGADRP Cc1cccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1C ZINC000512672732 312192185 /nfs/dbraw/zinc/19/21/85/312192185.db2.gz KHADSFWEIHCSBH-RTBURBONSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000513079858 312201203 /nfs/dbraw/zinc/20/12/03/312201203.db2.gz BXPLODXRUNOLCO-BZUAXINKSA-N 2 0 349.485 3.359 20 0 EGADRP FC1(F)CCC[C@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000513898676 312219608 /nfs/dbraw/zinc/21/96/08/312219608.db2.gz OJNJOSOVCOJRHQ-KRWDZBQOSA-N 2 0 330.463 3.246 20 0 EGADRP C[NH+](C)C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC000514903010 312252662 /nfs/dbraw/zinc/25/26/62/312252662.db2.gz HJPFPRSXRLRTSD-IBGZPJMESA-N 2 0 349.494 3.199 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000515777196 312297142 /nfs/dbraw/zinc/29/71/42/312297142.db2.gz YZQOEKNNMXCWJK-MBDNFAEBSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000516989477 312356562 /nfs/dbraw/zinc/35/65/62/312356562.db2.gz FSFGATUNMYGMLE-QGZVFWFLSA-N 2 0 348.450 3.438 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(-c2ccnn2C)c1 ZINC000517248440 312372190 /nfs/dbraw/zinc/37/21/90/312372190.db2.gz NFVHMNXBUMVCAS-QGZVFWFLSA-N 2 0 326.488 3.215 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c1 ZINC000517366183 312376812 /nfs/dbraw/zinc/37/68/12/312376812.db2.gz WVHIKZCHSLQTLL-GOSISDBHSA-N 2 0 333.520 3.169 20 0 EGADRP OC1CC(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000528017442 313001342 /nfs/dbraw/zinc/00/13/42/313001342.db2.gz GYPKENFGGIGPBK-ZOBFTUDESA-N 2 0 328.500 3.038 20 0 EGADRP Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000528190457 313036388 /nfs/dbraw/zinc/03/63/88/313036388.db2.gz TVVZQVBPPHQWCA-UHFFFAOYSA-N 2 0 343.446 3.373 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000528351416 313070891 /nfs/dbraw/zinc/07/08/91/313070891.db2.gz OFFOFAKLZQIMEZ-FQEVSTJZSA-N 2 0 334.479 3.191 20 0 EGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528512245 313109258 /nfs/dbraw/zinc/10/92/58/313109258.db2.gz JERDWCANMAVENX-ORFBVSJDSA-N 2 0 342.527 3.493 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(OC)c1 ZINC000530221716 313499674 /nfs/dbraw/zinc/49/96/74/313499674.db2.gz YBBGBKAHAYUQRK-JSGCOSHPSA-N 2 0 329.444 3.278 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000535085131 314025935 /nfs/dbraw/zinc/02/59/35/314025935.db2.gz ZQUKVEDTIQBJQG-HDICACEKSA-N 2 0 346.515 3.407 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000535085133 314026064 /nfs/dbraw/zinc/02/60/64/314026064.db2.gz ZQUKVEDTIQBJQG-ROUUACIJSA-N 2 0 346.515 3.407 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2)[C@@H](C)C1 ZINC000536874243 314151376 /nfs/dbraw/zinc/15/13/76/314151376.db2.gz CPNOXOPXBPOLSY-BJLQDIEVSA-N 2 0 334.504 3.181 20 0 EGADRP CCc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000536998294 314156018 /nfs/dbraw/zinc/15/60/18/314156018.db2.gz NEFXSCYIEFOLCT-WOJBJXKFSA-N 2 0 345.531 3.123 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@@H](C)C1 ZINC000539062397 314294063 /nfs/dbraw/zinc/29/40/63/314294063.db2.gz WXDBUSXRRJGSQK-SSCXBUAASA-N 2 0 342.527 3.299 20 0 EGADRP CN1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]2C2CC2)c2cccs2)CC1 ZINC000540260817 314372521 /nfs/dbraw/zinc/37/25/21/314372521.db2.gz NYTYVTDOPQZZSA-KZNAEPCWSA-N 2 0 333.545 3.205 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)CN1CC[NH+](C)CC1 ZINC000542669034 314567442 /nfs/dbraw/zinc/56/74/42/314567442.db2.gz QWVHZVOEDZMTKC-XPMYLKCJSA-N 2 0 333.564 3.064 20 0 EGADRP CC[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000544372056 314690538 /nfs/dbraw/zinc/69/05/38/314690538.db2.gz VJTYXSBBBFSUFR-MJGOQNOKSA-N 2 0 345.531 3.284 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000550896056 315136912 /nfs/dbraw/zinc/13/69/12/315136912.db2.gz VWFYBAXYIUKDDB-UWHLTILDSA-N 2 0 328.500 3.302 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000552053812 315193900 /nfs/dbraw/zinc/19/39/00/315193900.db2.gz YQUBZGJIMAXVOR-XGNXJENSSA-N 2 0 326.282 3.368 20 0 EGADRP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1CC(C)C1 ZINC000552979880 315239320 /nfs/dbraw/zinc/23/93/20/315239320.db2.gz DYTSOLBVCDWLNU-MSOLQXFVSA-N 2 0 343.515 3.017 20 0 EGADRP COc1ccc([C@@H](C)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000553465121 315264848 /nfs/dbraw/zinc/26/48/48/315264848.db2.gz AUUCBZAIWCRLDI-SFHVURJKSA-N 2 0 346.515 3.233 20 0 EGADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000556952041 315486176 /nfs/dbraw/zinc/48/61/76/315486176.db2.gz QTKGUHPJHNXLOZ-XGXHKWSGSA-N 2 0 334.508 3.024 20 0 EGADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000563510555 316030731 /nfs/dbraw/zinc/03/07/31/316030731.db2.gz OCFHHMDOQBBRND-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1cccc2ccccc21 ZINC000564453339 316154700 /nfs/dbraw/zinc/15/47/00/316154700.db2.gz LGMBAMIYRLDHNU-SFHVURJKSA-N 2 0 337.467 3.100 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000564563695 316167919 /nfs/dbraw/zinc/16/79/19/316167919.db2.gz IBBYHHGBFXVBEW-HNNXBMFYSA-N 2 0 335.467 3.174 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)C1 ZINC000564584471 316170845 /nfs/dbraw/zinc/17/08/45/316170845.db2.gz FWSCOUYSTFIIOY-RDBSUJKOSA-N 2 0 327.394 3.144 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1C ZINC000565241167 316297118 /nfs/dbraw/zinc/29/71/18/316297118.db2.gz AFWMYNUVNXVHSK-CALCHBBNSA-N 2 0 340.515 3.496 20 0 EGADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000565769261 316367262 /nfs/dbraw/zinc/36/72/62/316367262.db2.gz UQMLACZHHHJPET-SLFFLAALSA-N 2 0 329.488 3.088 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000566163604 316430481 /nfs/dbraw/zinc/43/04/81/316430481.db2.gz BAVZFPBKEHZXEF-LMMKCTJWSA-N 2 0 345.531 3.339 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000566732644 316519363 /nfs/dbraw/zinc/51/93/63/316519363.db2.gz FZJJQXRSIIIZNU-HXUWFJFHSA-N 2 0 336.495 3.077 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000567228265 316587002 /nfs/dbraw/zinc/58/70/02/316587002.db2.gz NMVIBEOFZVFVLJ-NRFANRHFSA-N 2 0 348.531 3.186 20 0 EGADRP CCOc1c(Br)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000570450713 317057913 /nfs/dbraw/zinc/05/79/13/317057913.db2.gz RKRVIQTZVLQVRQ-QWRGUYRKSA-N 2 0 345.281 3.072 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000570475291 317061615 /nfs/dbraw/zinc/06/16/15/317061615.db2.gz DCXQUUOFIIRGBV-DFGXFYAUSA-N 2 0 349.494 3.184 20 0 EGADRP COc1cc(F)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000571452166 317201448 /nfs/dbraw/zinc/20/14/48/317201448.db2.gz DKULWGFKAMOAFN-OAHLLOKOSA-N 2 0 338.467 3.445 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000571501455 317208181 /nfs/dbraw/zinc/20/81/81/317208181.db2.gz CMVYNNIJWRZSGV-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP [NH3+]CCC1CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000571811937 317251546 /nfs/dbraw/zinc/25/15/46/317251546.db2.gz UFRKQOIMAZQWNB-FQEVSTJZSA-N 2 0 337.467 3.427 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000572733291 317384743 /nfs/dbraw/zinc/38/47/43/317384743.db2.gz OOHOBUVNYKCPAB-HKUYNNGSSA-N 2 0 332.419 3.290 20 0 EGADRP C[C@@H]1C[C@@H](NCc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000230309932 456136220 /nfs/dbraw/zinc/13/62/20/456136220.db2.gz MRWRXZPOENFLCY-ZJUUUORDSA-N 2 0 333.220 3.300 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000174508374 323307200 /nfs/dbraw/zinc/30/72/00/323307200.db2.gz VRLPMVDXMJEZHB-MOPGFXCFSA-N 2 0 332.488 3.064 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000178009162 323349536 /nfs/dbraw/zinc/34/95/36/323349536.db2.gz ASTCOJCONVHXSV-MLGOLLRUSA-N 2 0 343.284 3.451 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382455188 324250730 /nfs/dbraw/zinc/25/07/30/324250730.db2.gz PYURCHREQPHJIS-NVXWUHKLSA-N 2 0 339.524 3.144 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000575161589 324429411 /nfs/dbraw/zinc/42/94/11/324429411.db2.gz HVOHKUHGNWVFPK-UYAOXDASSA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000578352390 324956768 /nfs/dbraw/zinc/95/67/68/324956768.db2.gz XFZXLKJIZNXPBU-XLIONFOSSA-N 2 0 343.515 3.196 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc2s1 ZINC000578423028 324966632 /nfs/dbraw/zinc/96/66/32/324966632.db2.gz WTVQKJUXYMUXJY-VQIMIIECSA-N 2 0 345.512 3.323 20 0 EGADRP CC(C)Cc1ncc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000579094743 325061808 /nfs/dbraw/zinc/06/18/08/325061808.db2.gz IULQRAWDWQNILK-DOTOQJQBSA-N 2 0 337.533 3.060 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000579958514 325182510 /nfs/dbraw/zinc/18/25/10/325182510.db2.gz HWLKJSVLKWPSBQ-IAGOWNOFSA-N 2 0 349.482 3.209 20 0 EGADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000580181538 325214514 /nfs/dbraw/zinc/21/45/14/325214514.db2.gz LXTGVJULUJUXFW-JAXLGGSGSA-N 2 0 349.478 3.492 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000580288983 325229281 /nfs/dbraw/zinc/22/92/81/325229281.db2.gz JDMFOSXTBANLIC-QWHCGFSZSA-N 2 0 326.282 3.227 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000580548283 325265602 /nfs/dbraw/zinc/26/56/02/325265602.db2.gz MOOVHWJQWNCCMK-APWZRJJASA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000581009653 325320743 /nfs/dbraw/zinc/32/07/43/325320743.db2.gz ZIFHSOHLJDQEIC-QFBILLFUSA-N 2 0 331.504 3.051 20 0 EGADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581412484 325358713 /nfs/dbraw/zinc/35/87/13/325358713.db2.gz QZBZUDNMSKPGMG-DOTOQJQBSA-N 2 0 347.507 3.060 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000582610146 325455333 /nfs/dbraw/zinc/45/53/33/325455333.db2.gz OSVRTPUOUVXIBR-IRXDYDNUSA-N 2 0 347.503 3.253 20 0 EGADRP Cn1ccc([C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000583558972 325533938 /nfs/dbraw/zinc/53/39/38/325533938.db2.gz CXUPMQBMMRYJEL-QANKJYHBSA-N 2 0 332.879 3.270 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000183242689 455258876 /nfs/dbraw/zinc/25/88/76/455258876.db2.gz WTRNDHGGDDCGMB-IAGOWNOFSA-N 2 0 339.524 3.142 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000242389671 455271395 /nfs/dbraw/zinc/27/13/95/455271395.db2.gz ZZLFPKOPDFSOQE-FQEVSTJZSA-N 2 0 343.515 3.384 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183706178 455323527 /nfs/dbraw/zinc/32/35/27/455323527.db2.gz FBIAWVDMIWRSAL-ICSRJNTNSA-N 2 0 345.462 3.257 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000159136918 455355152 /nfs/dbraw/zinc/35/51/52/455355152.db2.gz IMTIETYFXFUOMN-UXHICEINSA-N 2 0 343.515 3.019 20 0 EGADRP Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)ncc1Br ZINC000623544742 460605573 /nfs/dbraw/zinc/60/55/73/460605573.db2.gz JADFEKGJOKSCDG-UHFFFAOYSA-N 2 0 326.282 3.117 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000067507180 453936327 /nfs/dbraw/zinc/93/63/27/453936327.db2.gz HVJNRCWRVAUYRQ-HXUWFJFHSA-N 2 0 339.483 3.481 20 0 EGADRP CC[N@H+](CCCc1cnn(C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155042 453972523 /nfs/dbraw/zinc/97/25/23/453972523.db2.gz GGRRPXCCKAKANV-NRFANRHFSA-N 2 0 340.515 3.197 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000077211820 454075779 /nfs/dbraw/zinc/07/57/79/454075779.db2.gz FKCNEAPXUOEZAB-SFHVURJKSA-N 2 0 345.531 3.134 20 0 EGADRP CCC[C@H](CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245917900 455399493 /nfs/dbraw/zinc/39/94/93/455399493.db2.gz QHSBRJHHBPVBGT-MOPGFXCFSA-N 2 0 331.504 3.052 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)cc2)n1 ZINC000089551231 454161830 /nfs/dbraw/zinc/16/18/30/454161830.db2.gz SIMAPUYVPYPWLV-YJBOKZPZSA-N 2 0 342.487 3.161 20 0 EGADRP C[C@@H]1C[C@H](N(C)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000089615095 454167627 /nfs/dbraw/zinc/16/76/27/454167627.db2.gz LWPYVRYFFLFCGS-HLAWJBBLSA-N 2 0 329.532 3.456 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046007928 454205181 /nfs/dbraw/zinc/20/51/81/454205181.db2.gz MELMLTPSYSXBAU-QGZVFWFLSA-N 2 0 346.519 3.382 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000090038687 454265947 /nfs/dbraw/zinc/26/59/47/454265947.db2.gz OZWXQFXWXFJJGW-PMACEKPBSA-N 2 0 343.515 3.036 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634959105 460631390 /nfs/dbraw/zinc/63/13/90/460631390.db2.gz ICMOYCSHWDGQDA-HXUWFJFHSA-N 2 0 346.478 3.284 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000090079101 454274627 /nfs/dbraw/zinc/27/46/27/454274627.db2.gz JSPVSYNLERCRDR-UGFHNGPFSA-N 2 0 331.287 3.347 20 0 EGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522787 454316416 /nfs/dbraw/zinc/31/64/16/454316416.db2.gz IASXNDYFKXXZKO-PSMQTCRGSA-N 2 0 328.500 3.277 20 0 EGADRP Cc1nc(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000079017605 454355369 /nfs/dbraw/zinc/35/53/69/454355369.db2.gz DOWIIFKPRBMIKO-UHFFFAOYSA-N 2 0 345.512 3.006 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+]Cc3cccc4c3OCO4)CC2)cc1 ZINC000063551569 454422963 /nfs/dbraw/zinc/42/29/63/454422963.db2.gz BFBMFAAAYIZVEP-UHFFFAOYSA-N 2 0 338.451 3.417 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000047973593 454425997 /nfs/dbraw/zinc/42/59/97/454425997.db2.gz DXZSMWIJBMOUHB-KRWDZBQOSA-N 2 0 343.515 3.018 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000047973571 454426159 /nfs/dbraw/zinc/42/61/59/454426159.db2.gz NUWNHGDNDSCILV-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)Cn1ccnc1C)CCCO2 ZINC000121423169 454432945 /nfs/dbraw/zinc/43/29/45/454432945.db2.gz WXHZGPYVNKXVCR-KDOFPFPSSA-N 2 0 329.444 3.340 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000063651745 454434252 /nfs/dbraw/zinc/43/42/52/454434252.db2.gz ZBHRIEYOMNHHLE-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP O=C(NCCC[NH+]1CCCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000063681095 454436136 /nfs/dbraw/zinc/43/61/36/454436136.db2.gz ZWWXXMIUJZODHC-UHFFFAOYSA-N 2 0 343.515 3.278 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccn1 ZINC000073649731 454462938 /nfs/dbraw/zinc/46/29/38/454462938.db2.gz RKJASOQRPNMUAD-KRWDZBQOSA-N 2 0 325.456 3.407 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000101653268 454478824 /nfs/dbraw/zinc/47/88/24/454478824.db2.gz BWURXVFNXCHNOT-IAGOWNOFSA-N 2 0 345.531 3.235 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121817839 454480700 /nfs/dbraw/zinc/48/07/00/454480700.db2.gz UIXZZJADXNUJIY-HXUWFJFHSA-N 2 0 329.532 3.015 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000134564059 454560835 /nfs/dbraw/zinc/56/08/35/454560835.db2.gz VTFGHLJZDUHNRW-UWJYYQICSA-N 2 0 343.515 3.067 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000122718836 454562344 /nfs/dbraw/zinc/56/23/44/454562344.db2.gz GWOXLRUKQPLSKU-MRXNPFEDSA-N 2 0 345.487 3.416 20 0 EGADRP Nc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000634995628 460645137 /nfs/dbraw/zinc/64/51/37/460645137.db2.gz KXSWKENZEZAKIM-DYESRHJHSA-N 2 0 336.483 3.295 20 0 EGADRP Cc1csc(N2CCC([NH2+]Cc3cccc(C[NH+](C)C)c3)CC2)n1 ZINC000123612930 454657261 /nfs/dbraw/zinc/65/72/61/454657261.db2.gz CNUFMOZKRVMLOS-UHFFFAOYSA-N 2 0 344.528 3.272 20 0 EGADRP C[C@@H](N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000635004039 460646649 /nfs/dbraw/zinc/64/66/49/460646649.db2.gz MSUNQOYFIDOGDF-DAXOMENPSA-N 2 0 329.410 3.038 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC000052209231 454661175 /nfs/dbraw/zinc/66/11/75/454661175.db2.gz YUASHYQVVOWIQZ-FQEVSTJZSA-N 2 0 348.531 3.179 20 0 EGADRP Fc1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000635004442 460648017 /nfs/dbraw/zinc/64/80/17/460648017.db2.gz OOVINSZBYREQKQ-FOOXYVKASA-N 2 0 338.854 3.287 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccccc1 ZINC000123968283 454691641 /nfs/dbraw/zinc/69/16/41/454691641.db2.gz PCZYXVUPCTVPBR-APWZRJJASA-N 2 0 343.515 3.106 20 0 EGADRP CCCC[N@H+](CCOC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093323045 454702457 /nfs/dbraw/zinc/70/24/57/454702457.db2.gz SWQNLOXQZNEQLH-UHFFFAOYSA-N 2 0 347.547 3.466 20 0 EGADRP Cc1nccc(N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000162036567 454747021 /nfs/dbraw/zinc/74/70/21/454747021.db2.gz QQHQEKONXNKPRH-UHFFFAOYSA-N 2 0 338.377 3.372 20 0 EGADRP c1cc(N2CC[NH2+]CC2)cc(NC2CCC(OC3CCCC3)CC2)[nH+]1 ZINC000635010618 460653509 /nfs/dbraw/zinc/65/35/09/460653509.db2.gz KQXGVAWUCJWKQQ-UHFFFAOYSA-N 2 0 344.503 3.174 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635010701 460653908 /nfs/dbraw/zinc/65/39/08/460653908.db2.gz UYVGQPDGOBZTIX-CHIMOYNISA-N 2 0 336.785 3.201 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137747894 454784729 /nfs/dbraw/zinc/78/47/29/454784729.db2.gz ANECVLIOCXTUFN-GOSISDBHSA-N 2 0 331.504 3.296 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000137738210 454785286 /nfs/dbraw/zinc/78/52/86/454785286.db2.gz MDYLPYGFQQIEPV-QGZVFWFLSA-N 2 0 347.503 3.078 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000138088163 454788713 /nfs/dbraw/zinc/78/87/13/454788713.db2.gz JVGGGQVAGNXXHA-ZWKOTPCHSA-N 2 0 326.488 3.436 20 0 EGADRP O=C(CC1CCCC1)NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000153631376 454814708 /nfs/dbraw/zinc/81/47/08/454814708.db2.gz SXUMHBSLIZRRRT-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000163260262 454834561 /nfs/dbraw/zinc/83/45/61/454834561.db2.gz PDFWAEPOSAEXBH-PIKOESSRSA-N 2 0 327.516 3.254 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCCCC1 ZINC000125650223 454837029 /nfs/dbraw/zinc/83/70/29/454837029.db2.gz GHZPEGJFGFDSGG-IRXDYDNUSA-N 2 0 327.476 3.040 20 0 EGADRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000177301868 454848737 /nfs/dbraw/zinc/84/87/37/454848737.db2.gz KVXWKNCXCFXYLH-UTKZUKDTSA-N 2 0 341.474 3.141 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000177342816 454853734 /nfs/dbraw/zinc/85/37/34/454853734.db2.gz CQOAPJWNDBCNFK-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000177508304 454872054 /nfs/dbraw/zinc/87/20/54/454872054.db2.gz RPKWGHHLOIBIHI-IAGOWNOFSA-N 2 0 326.525 3.013 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177525035 454872734 /nfs/dbraw/zinc/87/27/34/454872734.db2.gz ASSYVMVUHIPIEJ-GJZGRUSLSA-N 2 0 343.471 3.097 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@H](C)C1 ZINC000164708573 454888033 /nfs/dbraw/zinc/88/80/33/454888033.db2.gz RRUPPMJKTJJOHC-BEFAXECRSA-N 2 0 340.458 3.234 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccsc2S1 ZINC000154370673 454889892 /nfs/dbraw/zinc/88/98/92/454889892.db2.gz NJGHUVYZHTXFGY-GOEBONIOSA-N 2 0 339.574 3.291 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165367040 454898644 /nfs/dbraw/zinc/89/86/44/454898644.db2.gz PTIFBHUMJVOSKT-QINHECLXSA-N 2 0 333.495 3.108 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000177745380 454899220 /nfs/dbraw/zinc/89/92/20/454899220.db2.gz XSMUAMAEBDERIV-XGSMCBPESA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000166064467 454907352 /nfs/dbraw/zinc/90/73/52/454907352.db2.gz FMAFNVVDYZPXNX-WMZOPIPTSA-N 2 0 331.504 3.093 20 0 EGADRP CC[C@H]1c2ccsc2CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191445107 455485928 /nfs/dbraw/zinc/48/59/28/455485928.db2.gz YXQXJOIUWJBHKT-SFHVURJKSA-N 2 0 335.561 3.473 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000166409945 454911607 /nfs/dbraw/zinc/91/16/07/454911607.db2.gz SBXQTFVSMBOWQZ-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166435118 454911721 /nfs/dbraw/zinc/91/17/21/454911721.db2.gz CMLBHYFMMPWEEZ-ZDUSSCGKSA-N 2 0 348.288 3.429 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000166411963 454911856 /nfs/dbraw/zinc/91/18/56/454911856.db2.gz ILXXEQHSJGCWMD-APWZRJJASA-N 2 0 331.504 3.052 20 0 EGADRP Fc1cccnc1N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000168117725 454924866 /nfs/dbraw/zinc/92/48/66/454924866.db2.gz FPIIOAPNRROIRM-KRWDZBQOSA-N 2 0 346.494 3.186 20 0 EGADRP CC(C)N(C(=O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000154745239 454926183 /nfs/dbraw/zinc/92/61/83/454926183.db2.gz PMMDEXRHUZGZLR-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP Cn1ccnc1CC1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000151084412 454934711 /nfs/dbraw/zinc/93/47/11/454934711.db2.gz WCPXSXMIYBAXNC-UHFFFAOYSA-N 2 0 328.391 3.155 20 0 EGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127472764 454967864 /nfs/dbraw/zinc/96/78/64/454967864.db2.gz SZDJDDNGFZKOHC-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H]([NH2+]CCOc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155228533 454977614 /nfs/dbraw/zinc/97/76/14/454977614.db2.gz OMFONTOYANELTO-KRWDZBQOSA-N 2 0 328.456 3.357 20 0 EGADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127565281 454977616 /nfs/dbraw/zinc/97/76/16/454977616.db2.gz HXZRPEZEPMKSBQ-XHSDSOJGSA-N 2 0 346.544 3.014 20 0 EGADRP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)n2)cc1 ZINC000178971324 454994812 /nfs/dbraw/zinc/99/48/12/454994812.db2.gz SZXQMRGIIUDEGE-MRXNPFEDSA-N 2 0 344.434 3.055 20 0 EGADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127803965 454999963 /nfs/dbraw/zinc/99/99/63/454999963.db2.gz VEULSVUCGUDCRZ-RBUKOAKNSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000155626003 455023622 /nfs/dbraw/zinc/02/36/22/455023622.db2.gz VBNROGAPZVEJAD-LSDHHAIUSA-N 2 0 339.524 3.224 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000155692420 455032958 /nfs/dbraw/zinc/03/29/58/455032958.db2.gz FUKIPJCJMVDSLI-MSOLQXFVSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000151908240 455047574 /nfs/dbraw/zinc/04/75/74/455047574.db2.gz OIAQKIMZGXRKIK-QGZVFWFLSA-N 2 0 344.528 3.002 20 0 EGADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128476375 455059110 /nfs/dbraw/zinc/05/91/10/455059110.db2.gz BMEBXFDRKXXSGM-ZDUSSCGKSA-N 2 0 332.275 3.237 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000152408264 455114245 /nfs/dbraw/zinc/11/42/45/455114245.db2.gz BRCZUTVSEBOYTK-INIZCTEOSA-N 2 0 347.934 3.378 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000152405151 455114481 /nfs/dbraw/zinc/11/44/81/455114481.db2.gz GRKVRFOZCKCVII-CHWSQXEVSA-N 2 0 340.414 3.432 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000152438853 455119926 /nfs/dbraw/zinc/11/99/26/455119926.db2.gz ATJOAFQZAWYOFD-KRWDZBQOSA-N 2 0 347.934 3.378 20 0 EGADRP CC1CCC([NH+]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)CC1 ZINC000156543926 455130693 /nfs/dbraw/zinc/13/06/93/455130693.db2.gz QKIKZASIKCOXKL-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnn1C ZINC000180158240 455141256 /nfs/dbraw/zinc/14/12/56/455141256.db2.gz VBLQCBHXVSXCTI-HGWQEYRNSA-N 2 0 338.499 3.290 20 0 EGADRP C[C@@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237407180 455182051 /nfs/dbraw/zinc/18/20/51/455182051.db2.gz NAHHHMKBPWHWLV-JENIJYKNSA-N 2 0 345.531 3.258 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000159210044 455361308 /nfs/dbraw/zinc/36/13/08/455361308.db2.gz UKNRCWKCWMXMAU-IBGZPJMESA-N 2 0 330.520 3.282 20 0 EGADRP CC1CC([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000184340741 455372158 /nfs/dbraw/zinc/37/21/58/455372158.db2.gz LFIZJQABXMEBSN-UHFFFAOYSA-N 2 0 332.488 3.064 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623483 455415283 /nfs/dbraw/zinc/41/52/83/455415283.db2.gz GRDAGRYEHNFLKA-BEFAXECRSA-N 2 0 344.890 3.442 20 0 EGADRP CN(CC[N@H+](C)[C@H]1CCc2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000246093711 455425320 /nfs/dbraw/zinc/42/53/20/455425320.db2.gz NZNBOEKSZMHSFJ-IBGZPJMESA-N 2 0 335.923 3.285 20 0 EGADRP COc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182261346 455474634 /nfs/dbraw/zinc/47/46/34/455474634.db2.gz HSBLBLUTRUDSLM-JXFKEZNVSA-N 2 0 340.467 3.113 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000182277531 455478238 /nfs/dbraw/zinc/47/82/38/455478238.db2.gz DXLFFQMSBZEIKV-LMMKCTJWSA-N 2 0 332.488 3.218 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CC2 ZINC000246497390 455501430 /nfs/dbraw/zinc/50/14/30/455501430.db2.gz SJUNJTYBJNLBKS-QHAWAJNXSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000246705739 455518379 /nfs/dbraw/zinc/51/83/79/455518379.db2.gz ZOZAOKGJVROLME-AHRSYUTCSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000267251353 455524068 /nfs/dbraw/zinc/52/40/68/455524068.db2.gz DEAPTTBEUVBERQ-MOPGFXCFSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246889715 455533213 /nfs/dbraw/zinc/53/32/13/455533213.db2.gz DSUNOAMJWIFKFP-WRJHFWDFSA-N 2 0 329.532 3.215 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247110031 455560252 /nfs/dbraw/zinc/56/02/52/455560252.db2.gz SZYAFEFTXKDPKB-SBHAEUEKSA-N 2 0 344.547 3.002 20 0 EGADRP Cc1noc(C2CCC([NH2+][C@@H]3CCN(Cc4ccccc4)C3)CC2)n1 ZINC000267995896 455576362 /nfs/dbraw/zinc/57/63/62/455576362.db2.gz AIVZSHSVRDONQX-CTWPCTMYSA-N 2 0 340.471 3.268 20 0 EGADRP C[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705700 455600895 /nfs/dbraw/zinc/60/08/95/455600895.db2.gz JOHLDQXYYIGYRP-SQNIBIBYSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000283859832 455605248 /nfs/dbraw/zinc/60/52/48/455605248.db2.gz CGPUYNKOZXGNQY-MRXNPFEDSA-N 2 0 325.456 3.405 20 0 EGADRP CC(C)c1nccn1CC(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000635116409 460681308 /nfs/dbraw/zinc/68/13/08/460681308.db2.gz GOIJDYSXQWHSKK-INIZCTEOSA-N 2 0 348.878 3.079 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000192448152 455618957 /nfs/dbraw/zinc/61/89/57/455618957.db2.gz OKBZZUSGXUEZBA-MHJFOBGBSA-N 2 0 344.499 3.218 20 0 EGADRP CCN1CCC[C@H]1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993251 455620525 /nfs/dbraw/zinc/62/05/25/455620525.db2.gz HLBJOGQFJJCMSE-MSOLQXFVSA-N 2 0 345.487 3.114 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000271492128 455657355 /nfs/dbraw/zinc/65/73/55/455657355.db2.gz KNKNZYGXGWKBPZ-GUDVDZBRSA-N 2 0 334.891 3.295 20 0 EGADRP c1ccc(CSCC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000192630101 455657440 /nfs/dbraw/zinc/65/74/40/455657440.db2.gz QAMYTBXJKPGDNZ-SFHVURJKSA-N 2 0 334.529 3.010 20 0 EGADRP CC[N@@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@@H](C)C1 ZINC000247962811 455660513 /nfs/dbraw/zinc/66/05/13/455660513.db2.gz GKOABNYTRJIBHR-ROUUACIJSA-N 2 0 339.593 3.058 20 0 EGADRP C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247973588 455663162 /nfs/dbraw/zinc/66/31/62/455663162.db2.gz HNYGBNGLKWSOFF-NXHRZFHOSA-N 2 0 340.471 3.138 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000268462922 455690028 /nfs/dbraw/zinc/69/00/28/455690028.db2.gz ZXBUZPPCJYSNIY-UHFFFAOYSA-N 2 0 346.515 3.333 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000248221672 455699354 /nfs/dbraw/zinc/69/93/54/455699354.db2.gz OGQKSEAGCNOQAI-FXAWDEMLSA-N 2 0 343.515 3.190 20 0 EGADRP CC(C)c1nccn1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000635137553 460686671 /nfs/dbraw/zinc/68/66/71/460686671.db2.gz CAIKBFKHIFTKBR-HNNXBMFYSA-N 2 0 346.500 3.021 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000271649661 455711572 /nfs/dbraw/zinc/71/15/72/455711572.db2.gz AXFQRUHPXCTDLM-UHFFFAOYSA-N 2 0 334.851 3.006 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000268765340 455712742 /nfs/dbraw/zinc/71/27/42/455712742.db2.gz NJMRRCZGZFMLIU-UHFFFAOYSA-N 2 0 329.488 3.139 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000248438591 455715496 /nfs/dbraw/zinc/71/54/96/455715496.db2.gz HWMVMJJKUKOYOI-PKOBYXMFSA-N 2 0 332.488 3.220 20 0 EGADRP COCCC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000268896021 455721442 /nfs/dbraw/zinc/72/14/42/455721442.db2.gz ABHNYBCVNNWAFG-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)nnn1-c1ccc(C)cc1 ZINC000268957194 455743943 /nfs/dbraw/zinc/74/39/43/455743943.db2.gz YYSMLQHLZBMJOB-MRXNPFEDSA-N 2 0 341.503 3.267 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269033495 455769703 /nfs/dbraw/zinc/76/97/03/455769703.db2.gz SFACELVWWICNAZ-OAHLLOKOSA-N 2 0 330.472 3.343 20 0 EGADRP C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271822208 455774336 /nfs/dbraw/zinc/77/43/36/455774336.db2.gz CKAUQYAHVKEBTH-ZWKOTPCHSA-N 2 0 348.531 3.466 20 0 EGADRP Cc1cccc(NC[C@H]2CCN([C@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000249803880 455776524 /nfs/dbraw/zinc/77/65/24/455776524.db2.gz AXJQOQOZABBCFT-HUUCEWRRSA-N 2 0 329.448 3.391 20 0 EGADRP C[C@H](CC[S@](C)=O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285007335 455776619 /nfs/dbraw/zinc/77/66/19/455776619.db2.gz GZSHFYCKDLGRDV-VHBXDSILSA-N 2 0 336.545 3.176 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249854837 455778626 /nfs/dbraw/zinc/77/86/26/455778626.db2.gz CVQFIPVIRHWAFV-FGTMMUONSA-N 2 0 345.531 3.404 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000269089235 455786906 /nfs/dbraw/zinc/78/69/06/455786906.db2.gz QDBIGUANPXJALA-CZUORRHYSA-N 2 0 330.419 3.295 20 0 EGADRP C[C@H]1C[C@H](NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@@H+]1C ZINC000186570038 455795303 /nfs/dbraw/zinc/79/53/03/455795303.db2.gz GAQWAEWRBQVARI-XKQJLSEDSA-N 2 0 343.437 3.380 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000186579264 455798562 /nfs/dbraw/zinc/79/85/62/455798562.db2.gz VFPBLDOXGXCMDX-ZIAGYGMSSA-N 2 0 329.941 3.468 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186589313 455800519 /nfs/dbraw/zinc/80/05/19/455800519.db2.gz ZBNOHUDNXLYOGT-MOPGFXCFSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CCCCCC[NH3+])c1cccc(OC)c1 ZINC000269245494 455820480 /nfs/dbraw/zinc/82/04/80/455820480.db2.gz UJKSXLOFHWTPOJ-IBGZPJMESA-N 2 0 349.519 3.104 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000252528032 455820894 /nfs/dbraw/zinc/82/08/94/455820894.db2.gz DYRJVBKATGPLBN-AOIWGVFYSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000269300302 455830956 /nfs/dbraw/zinc/83/09/56/455830956.db2.gz XJKLHHISMCDCLR-LPHOPBHVSA-N 2 0 331.504 3.118 20 0 EGADRP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(Cl)nc1 ZINC000272200374 455875123 /nfs/dbraw/zinc/87/51/23/455875123.db2.gz IXGWDJUOKGOHCL-CJNGLKHVSA-N 2 0 345.878 3.443 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000285786669 455916126 /nfs/dbraw/zinc/91/61/26/455916126.db2.gz UKLQZSJLPKXSTO-ROUUACIJSA-N 2 0 341.503 3.430 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000272334088 455918025 /nfs/dbraw/zinc/91/80/25/455918025.db2.gz YJUWFKWVHPXCJW-LZJOCLMNSA-N 2 0 345.531 3.032 20 0 EGADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000261771256 455944720 /nfs/dbraw/zinc/94/47/20/455944720.db2.gz ITOZZEKTHCHVRS-GOSISDBHSA-N 2 0 329.488 3.043 20 0 EGADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000261778599 455946194 /nfs/dbraw/zinc/94/61/94/455946194.db2.gz JIAWETMFPZNHBO-QGZVFWFLSA-N 2 0 329.488 3.391 20 0 EGADRP CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)C1(C(=O)OC)CCC1 ZINC000272478965 455964344 /nfs/dbraw/zinc/96/43/44/455964344.db2.gz JBCBKAXFOMCNTM-MRXNPFEDSA-N 2 0 329.444 3.207 20 0 EGADRP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)[C@@H]3CCOC[C@H]23)cc1 ZINC000286059557 455970247 /nfs/dbraw/zinc/97/02/47/455970247.db2.gz RLGKVHBKURRKKB-PWRODBHTSA-N 2 0 328.500 3.367 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261949921 455976207 /nfs/dbraw/zinc/97/62/07/455976207.db2.gz FVNSIRBACVSHHK-OAQYLSRUSA-N 2 0 332.451 3.211 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000272520708 455980610 /nfs/dbraw/zinc/98/06/10/455980610.db2.gz YIEVPYHYQVGWAM-IBGZPJMESA-N 2 0 344.886 3.476 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262199591 456011786 /nfs/dbraw/zinc/01/17/86/456011786.db2.gz UVHZRNRBTCELFA-AHRSYUTCSA-N 2 0 343.515 3.064 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC000262443139 456037043 /nfs/dbraw/zinc/03/70/43/456037043.db2.gz TVOXJTIRRINOCV-ZWOKBUDYSA-N 2 0 343.515 3.065 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262465784 456039024 /nfs/dbraw/zinc/03/90/24/456039024.db2.gz WHWSFWXQDGTCLA-PXNSSMCTSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263055467 456085008 /nfs/dbraw/zinc/08/50/08/456085008.db2.gz UWFJOOYMGYPSOM-PBEJRMEISA-N 2 0 343.515 3.236 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@H]1c1cccs1 ZINC000263116697 456096277 /nfs/dbraw/zinc/09/62/77/456096277.db2.gz AQEILAWQQXDDJM-YEWFCNIMSA-N 2 0 349.544 3.155 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263308781 456124600 /nfs/dbraw/zinc/12/46/00/456124600.db2.gz YGSRGQIFDDZRPS-VELGLUOQSA-N 2 0 343.515 3.063 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000263359963 456132402 /nfs/dbraw/zinc/13/24/02/456132402.db2.gz TVYGCQKGTJODKR-AEFFLSMTSA-N 2 0 331.504 3.093 20 0 EGADRP CC(=O)c1cccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000297267586 456166618 /nfs/dbraw/zinc/16/66/18/456166618.db2.gz WLWSAXHXTIYVDV-CALCHBBNSA-N 2 0 344.499 3.210 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236696215 456171429 /nfs/dbraw/zinc/17/14/29/456171429.db2.gz QZNOJVSJLFCSKM-LJQANCHMSA-N 2 0 331.504 3.095 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000236727599 456176270 /nfs/dbraw/zinc/17/62/70/456176270.db2.gz AYXCOKVJAUXHLX-LJQANCHMSA-N 2 0 331.504 3.067 20 0 EGADRP O=C1CC[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)[C@H](C2CC[NH2+]CC2)N1 ZINC000333335662 456202164 /nfs/dbraw/zinc/20/21/64/456202164.db2.gz XBBIQZKGWLFLLJ-QUCCMNQESA-N 2 0 347.547 3.116 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1C ZINC000273187380 456206832 /nfs/dbraw/zinc/20/68/32/456206832.db2.gz PDRDWFGULWNZDP-ROUUACIJSA-N 2 0 334.504 3.200 20 0 EGADRP C[C@H](O)c1ncc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290085652 456236560 /nfs/dbraw/zinc/23/65/60/456236560.db2.gz QYMZZZWDQVMYFT-RDJZCZTQSA-N 2 0 345.512 3.150 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275721624 456296022 /nfs/dbraw/zinc/29/60/22/456296022.db2.gz NRQCPSLEBVZINB-GIVPXCGWSA-N 2 0 329.532 3.013 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000352777007 456297253 /nfs/dbraw/zinc/29/72/53/456297253.db2.gz FPQNBZDMKDWSOY-YQVWRLOYSA-N 2 0 348.535 3.016 20 0 EGADRP COC[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000275872445 456338333 /nfs/dbraw/zinc/33/83/33/456338333.db2.gz OGEAPBDJOKLQMS-JXFKEZNVSA-N 2 0 331.504 3.402 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000275879837 456339793 /nfs/dbraw/zinc/33/97/93/456339793.db2.gz PFHFIKYQKYZLBC-ICSRJNTNSA-N 2 0 341.503 3.039 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297994817 456339837 /nfs/dbraw/zinc/33/98/37/456339837.db2.gz YZKPFIRONYEMPH-RTBURBONSA-N 2 0 345.531 3.075 20 0 EGADRP COc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000352829933 456345018 /nfs/dbraw/zinc/34/50/18/456345018.db2.gz ITVATKBGLQKVNG-NRFANRHFSA-N 2 0 337.467 3.188 20 0 EGADRP FC(F)Oc1ccccc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298059838 456354262 /nfs/dbraw/zinc/35/42/62/456354262.db2.gz JWITVPTUNTZKGJ-UHFFFAOYSA-N 2 0 347.409 3.484 20 0 EGADRP COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000290581973 456372572 /nfs/dbraw/zinc/37/25/72/456372572.db2.gz UQZURXPHKIGNNW-MLGOLLRUSA-N 2 0 341.293 3.230 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000281967769 456376939 /nfs/dbraw/zinc/37/69/39/456376939.db2.gz BJCHLGKAXQLOMY-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000340346858 456405003 /nfs/dbraw/zinc/40/50/03/456405003.db2.gz ABCULFQPSWUNLU-QGZVFWFLSA-N 2 0 348.535 3.010 20 0 EGADRP Fc1cccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000340400148 456437468 /nfs/dbraw/zinc/43/74/68/456437468.db2.gz IKNWWTFVVDFDRZ-UHFFFAOYSA-N 2 0 341.474 3.123 20 0 EGADRP C[NH+](C)CCCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000340428344 456454915 /nfs/dbraw/zinc/45/49/15/456454915.db2.gz XHJMKMPMFKHZDW-UHFFFAOYSA-N 2 0 340.393 3.323 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353073631 456472328 /nfs/dbraw/zinc/47/23/28/456472328.db2.gz PYJHKRQVGPVXIY-OAHLLOKOSA-N 2 0 338.565 3.120 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000303739552 456481472 /nfs/dbraw/zinc/48/14/72/456481472.db2.gz HYHDBWDHDMQIPR-BGYRXZFFSA-N 2 0 329.532 3.294 20 0 EGADRP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353155110 456527041 /nfs/dbraw/zinc/52/70/41/456527041.db2.gz ODHVRVMXGKPYMZ-KXZRCVDZSA-N 2 0 344.499 3.301 20 0 EGADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000316765095 456615061 /nfs/dbraw/zinc/61/50/61/456615061.db2.gz DBTGYOGWONWBIA-BXUZGUMPSA-N 2 0 344.286 3.381 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000276946930 456628243 /nfs/dbraw/zinc/62/82/43/456628243.db2.gz UWUOIQYSIQWXGG-MRXNPFEDSA-N 2 0 327.476 3.040 20 0 EGADRP FCCC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000337997227 456644635 /nfs/dbraw/zinc/64/46/35/456644635.db2.gz LQRKLXRBVYOIBE-QUCCMNQESA-N 2 0 348.510 3.102 20 0 EGADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000338000347 456647070 /nfs/dbraw/zinc/64/70/70/456647070.db2.gz QOLWLVPNGONYIJ-HOTGVXAUSA-N 2 0 340.458 3.112 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000326593438 456696122 /nfs/dbraw/zinc/69/61/22/456696122.db2.gz DGIAJADEIPXZCQ-RBUKOAKNSA-N 2 0 331.504 3.052 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353459205 456700442 /nfs/dbraw/zinc/70/04/42/456700442.db2.gz LHTXQAOCXRPDAL-LMCOJAPRSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000299474808 456703728 /nfs/dbraw/zinc/70/37/28/456703728.db2.gz BDBHEJPOZAFQAC-INIZCTEOSA-N 2 0 347.528 3.048 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000353502959 456721062 /nfs/dbraw/zinc/72/10/62/456721062.db2.gz NKCMBRQZQQZITB-ZLPCBKJTSA-N 2 0 329.488 3.337 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1O ZINC000277209098 456724936 /nfs/dbraw/zinc/72/49/36/456724936.db2.gz KPIZYNOMKPYNCW-HNNXBMFYSA-N 2 0 332.488 3.328 20 0 EGADRP CCCCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353511477 456725556 /nfs/dbraw/zinc/72/55/56/456725556.db2.gz BMCPCBHKPVYPHN-UHFFFAOYSA-N 2 0 334.504 3.408 20 0 EGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000353513030 456726289 /nfs/dbraw/zinc/72/62/89/456726289.db2.gz DTHYOHKGAPILSE-CRAIPNDOSA-N 2 0 329.492 3.284 20 0 EGADRP C[C@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CCN1C1CC[NH+](C)CC1 ZINC000343714074 456768277 /nfs/dbraw/zinc/76/82/77/456768277.db2.gz POOQDTDJVMZCNM-MGPUTAFESA-N 2 0 347.934 3.428 20 0 EGADRP CC(C)SCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338321646 456770216 /nfs/dbraw/zinc/77/02/16/456770216.db2.gz UWICOZLZFPTJRD-IAGOWNOFSA-N 2 0 328.566 3.339 20 0 EGADRP CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000343768535 456772079 /nfs/dbraw/zinc/77/20/79/456772079.db2.gz KIFPGSFTLLZYQS-DYESRHJHSA-N 2 0 343.515 3.209 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)c1)O[C@H](C)C2 ZINC000329039489 456819886 /nfs/dbraw/zinc/81/98/86/456819886.db2.gz DBWRJIBVVSZJSJ-ZIAGYGMSSA-N 2 0 327.428 3.121 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CC[C@H]4CCOC4)C3)CC2)cc1 ZINC000353649448 456829816 /nfs/dbraw/zinc/82/98/16/456829816.db2.gz XGDCOLRJMZWFMH-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C[N@H+](Cc2ccccc2)C1 ZINC000344487362 456831785 /nfs/dbraw/zinc/83/17/85/456831785.db2.gz VIDYNMKKANAHQA-HZEGPAAWSA-N 2 0 327.516 3.113 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)CC[NH+](C)CC1 ZINC000353657332 456835909 /nfs/dbraw/zinc/83/59/09/456835909.db2.gz JDWKYZPHZPQPBE-CQSZACIVSA-N 2 0 335.517 3.123 20 0 EGADRP Cc1nccn1CCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000348756633 456843198 /nfs/dbraw/zinc/84/31/98/456843198.db2.gz PQYGDXDRTFKCHP-RTWAWAEBSA-N 2 0 340.515 3.254 20 0 EGADRP CCN1CCN(C(=O)c2ccccc2Oc2ccncc2)[C@@H](C)C1 ZINC000341777292 456940037 /nfs/dbraw/zinc/94/00/37/456940037.db2.gz VRYNBWPHRNRIRB-HNNXBMFYSA-N 2 0 325.412 3.040 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000345155485 456945510 /nfs/dbraw/zinc/94/55/10/456945510.db2.gz IRFWHKFXWPWZEU-QZTJIDSGSA-N 2 0 326.488 3.293 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000345205326 456966954 /nfs/dbraw/zinc/96/69/54/456966954.db2.gz KACZCSNXUVPUQZ-IIBYNOLFSA-N 2 0 340.515 3.352 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000353933573 456970592 /nfs/dbraw/zinc/97/05/92/456970592.db2.gz QACOABUBHTUKMU-NZSAHSFTSA-N 2 0 332.488 3.076 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1CCOCC1 ZINC000353946874 456975627 /nfs/dbraw/zinc/97/56/27/456975627.db2.gz WPQQKGOQQCUPJA-KZNAEPCWSA-N 2 0 346.515 3.201 20 0 EGADRP CCc1nocc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000339194614 456986340 /nfs/dbraw/zinc/98/63/40/456986340.db2.gz GLBWGLMWOUJJFA-HZPDHXFCSA-N 2 0 343.471 3.136 20 0 EGADRP Cn1nnc2cc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)ccc21 ZINC000354078514 457047918 /nfs/dbraw/zinc/04/79/18/457047918.db2.gz TXJMYRXHARNCCT-UHFFFAOYSA-N 2 0 341.503 3.056 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000354100391 457061661 /nfs/dbraw/zinc/06/16/61/457061661.db2.gz LYSYBZDAGNMHPI-IBGZPJMESA-N 2 0 327.472 3.168 20 0 EGADRP CCC[N@H+](C)CC(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000359260163 457070906 /nfs/dbraw/zinc/07/09/06/457070906.db2.gz BMXBMDWOINUAFT-UHFFFAOYSA-N 2 0 344.503 3.263 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1C[NH+](C)C)CC(C)C ZINC000362762402 457082644 /nfs/dbraw/zinc/08/26/44/457082644.db2.gz IQTITDZPRJTKHO-SFHVURJKSA-N 2 0 333.520 3.235 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000349885338 457092929 /nfs/dbraw/zinc/09/29/29/457092929.db2.gz SHMULHSBZINPOQ-OAQYLSRUSA-N 2 0 348.531 3.006 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342105130 457110260 /nfs/dbraw/zinc/11/02/60/457110260.db2.gz NVELNBXHOIJXPR-YTQUADARSA-N 2 0 337.467 3.228 20 0 EGADRP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000346701185 457118416 /nfs/dbraw/zinc/11/84/16/457118416.db2.gz RGIATWGGPZPMLF-YLJYHZDGSA-N 2 0 327.516 3.256 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@H]21 ZINC000342127340 457123666 /nfs/dbraw/zinc/12/36/66/457123666.db2.gz MEYXHOGHWWOHGR-FVQBIDKESA-N 2 0 328.378 3.187 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H](C)CC2CCOCC2)CC1 ZINC000349972380 457127360 /nfs/dbraw/zinc/12/73/60/457127360.db2.gz JXWOIKHBCWRZGE-SFHVURJKSA-N 2 0 340.552 3.262 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]21 ZINC000346841856 457181591 /nfs/dbraw/zinc/18/15/91/457181591.db2.gz HMRMZQOLPAKTDN-IOMROCGXSA-N 2 0 337.467 3.220 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]21 ZINC000346841854 457181763 /nfs/dbraw/zinc/18/17/63/457181763.db2.gz HMRMZQOLPAKTDN-DZFGPLHGSA-N 2 0 337.467 3.220 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346851406 457184022 /nfs/dbraw/zinc/18/40/22/457184022.db2.gz JQMIWLBIIBLKRO-GDIGMMSISA-N 2 0 344.890 3.393 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C)o1 ZINC000356878327 457193742 /nfs/dbraw/zinc/19/37/42/457193742.db2.gz SRRPTAHGTJLCMY-IRFCIJBXSA-N 2 0 339.483 3.334 20 0 EGADRP FC(F)(F)c1csc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000347003443 457196504 /nfs/dbraw/zinc/19/65/04/457196504.db2.gz LKTFJZLBROOQLH-NWDGAFQWSA-N 2 0 333.423 3.341 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000339690449 457215882 /nfs/dbraw/zinc/21/58/82/457215882.db2.gz DNBRTYVJGWGLPD-ZIFCJYIRSA-N 2 0 345.531 3.162 20 0 EGADRP c1nc(-c2ccncc2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347105064 457231184 /nfs/dbraw/zinc/23/11/84/457231184.db2.gz MRFGDKOECNRTKL-KRWDZBQOSA-N 2 0 328.485 3.169 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000347105015 457231449 /nfs/dbraw/zinc/23/14/49/457231449.db2.gz MPGVJDXVEGVQGW-ZDUSSCGKSA-N 2 0 330.451 3.187 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000360182104 457290323 /nfs/dbraw/zinc/29/03/23/457290323.db2.gz GGYDVBOLNADLPD-QGZVFWFLSA-N 2 0 349.544 3.122 20 0 EGADRP Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(-c2cccs2)n1 ZINC000360177746 457290485 /nfs/dbraw/zinc/29/04/85/457290485.db2.gz OVZIQPNANRRNRQ-UHFFFAOYSA-N 2 0 332.517 3.360 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000357044447 457296040 /nfs/dbraw/zinc/29/60/40/457296040.db2.gz LUIXCFUIFNBPEE-CLWJZODNSA-N 2 0 345.531 3.229 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000347222850 457296070 /nfs/dbraw/zinc/29/60/70/457296070.db2.gz UIWDCSMZDZKBHH-UHFFFAOYSA-N 2 0 332.879 3.347 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354658322 457301994 /nfs/dbraw/zinc/30/19/94/457301994.db2.gz QRFHXNRTXNENFN-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1)CC1CC1 ZINC000357074159 457309125 /nfs/dbraw/zinc/30/91/25/457309125.db2.gz GCYXGFGHWDDXGD-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000340115205 457336623 /nfs/dbraw/zinc/33/66/23/457336623.db2.gz KVPSYLJWPMXVPC-PMACEKPBSA-N 2 0 345.531 3.300 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1)C(C)C ZINC000357313403 457440630 /nfs/dbraw/zinc/44/06/30/457440630.db2.gz XEMRKEXZQMYGKI-JTDSTZFVSA-N 2 0 331.504 3.033 20 0 EGADRP Cc1ccsc1[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360943509 457450976 /nfs/dbraw/zinc/45/09/76/457450976.db2.gz UZBQSIWTKMIOGB-KRWDZBQOSA-N 2 0 344.528 3.314 20 0 EGADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C[C@H]1Oc1ccccc1 ZINC000342696341 457461284 /nfs/dbraw/zinc/46/12/84/457461284.db2.gz CXQQGEBCJXPORJ-MISYRCLQSA-N 2 0 346.515 3.059 20 0 EGADRP Cc1[nH+]ccc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1Cl ZINC000425245285 457469603 /nfs/dbraw/zinc/46/96/03/457469603.db2.gz WKZGTNGHCJBFOY-AWEZNQCLSA-N 2 0 330.863 3.498 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000397296685 457485976 /nfs/dbraw/zinc/48/59/76/457485976.db2.gz BRRFORVBZSSPMQ-DYEKYZERSA-N 2 0 328.403 3.102 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000364152066 457501576 /nfs/dbraw/zinc/50/15/76/457501576.db2.gz XDKNWJOZTKYYSE-ZLGUVYLKSA-N 2 0 346.515 3.483 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000347557425 457505756 /nfs/dbraw/zinc/50/57/56/457505756.db2.gz ABUODAZCTITOIN-UHFFFAOYSA-N 2 0 347.547 3.323 20 0 EGADRP C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347563269 457510977 /nfs/dbraw/zinc/51/09/77/457510977.db2.gz IEUUUTSEMHJSRZ-PKOBYXMFSA-N 2 0 337.552 3.077 20 0 EGADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000425409152 457540390 /nfs/dbraw/zinc/54/03/90/457540390.db2.gz ABNFKUXODNSRIZ-PCCBWWKXSA-N 2 0 328.500 3.398 20 0 EGADRP CN(C)c1cc[nH+]cc1CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374279596 457565379 /nfs/dbraw/zinc/56/53/79/457565379.db2.gz KXSPBCTXIWBLBG-OAQYLSRUSA-N 2 0 338.499 3.149 20 0 EGADRP CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000347649909 457575176 /nfs/dbraw/zinc/57/51/76/457575176.db2.gz NDNTXTBCNZFRMM-MOPGFXCFSA-N 2 0 345.531 3.054 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)CC1 ZINC000425543474 457590932 /nfs/dbraw/zinc/59/09/32/457590932.db2.gz PQEWSLQMXBOSQT-IBGZPJMESA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425935720 457655213 /nfs/dbraw/zinc/65/52/13/457655213.db2.gz FSKUVSBHTNDYEC-OCCSQVGLSA-N 2 0 325.884 3.153 20 0 EGADRP CCc1ccc([C@H](CC)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370633368 457687295 /nfs/dbraw/zinc/68/72/95/457687295.db2.gz HBGZHNJOVPYLQI-FPOVZHCZSA-N 2 0 329.532 3.458 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370634663 457688231 /nfs/dbraw/zinc/68/82/31/457688231.db2.gz MHWGUXOYJAFLJQ-MJGOQNOKSA-N 2 0 345.531 3.295 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000357792317 457691605 /nfs/dbraw/zinc/69/16/05/457691605.db2.gz KAOLJPSHBNBNMA-HNAYVOBHSA-N 2 0 327.472 3.477 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364888206 457713362 /nfs/dbraw/zinc/71/33/62/457713362.db2.gz NBHAWBSHJXASRJ-MRXNPFEDSA-N 2 0 337.895 3.310 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000357871145 457718831 /nfs/dbraw/zinc/71/88/31/457718831.db2.gz NLFSOFPGJUDRTA-QZTJIDSGSA-N 2 0 345.531 3.123 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000357889506 457725224 /nfs/dbraw/zinc/72/52/24/457725224.db2.gz ZSRNKKQRKIZMRN-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)CC[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000433124333 457761259 /nfs/dbraw/zinc/76/12/59/457761259.db2.gz BJMKCTWLNRFLGC-IBGZPJMESA-N 2 0 343.515 3.119 20 0 EGADRP Cc1ccc2cc([C@@H](C)[NH2+]CCN3CCC([NH+](C)C)CC3)oc2c1 ZINC000426024582 457761315 /nfs/dbraw/zinc/76/13/15/457761315.db2.gz UIHXAVHUACOAOF-MRXNPFEDSA-N 2 0 329.488 3.418 20 0 EGADRP CC[C@@H](c1ccccc1)N(CC)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128853 457762972 /nfs/dbraw/zinc/76/29/72/457762972.db2.gz BQAKHRIEGMETPI-IBGZPJMESA-N 2 0 331.504 3.190 20 0 EGADRP CSc1ccccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000358071152 457766205 /nfs/dbraw/zinc/76/62/05/457766205.db2.gz HUJMOMCVJVBVKH-UHFFFAOYSA-N 2 0 347.572 3.399 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443586899 457784704 /nfs/dbraw/zinc/78/47/04/457784704.db2.gz BLJRPHVASZJUCK-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358152711 457818759 /nfs/dbraw/zinc/81/87/59/457818759.db2.gz HRFIAMGGJKOLHQ-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000375170626 457818958 /nfs/dbraw/zinc/81/89/58/457818958.db2.gz HUUXEIRRZZRMAJ-FQEVSTJZSA-N 2 0 343.515 3.203 20 0 EGADRP CC(=O)NCC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411191158 457824774 /nfs/dbraw/zinc/82/47/74/457824774.db2.gz ZKAQAQGZFHVRFO-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP O[C@H](CNCc1ccc(Oc2cccc(F)c2)cc1)C[NH+]1CCCC1 ZINC000443959856 457830360 /nfs/dbraw/zinc/83/03/60/457830360.db2.gz FJWMYJIQDDBECV-GOSISDBHSA-N 2 0 344.430 3.164 20 0 EGADRP FC(F)n1c2ccccc2nc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358174485 457835714 /nfs/dbraw/zinc/83/57/14/457835714.db2.gz XBBWWLLQXBAUGB-ZIAGYGMSSA-N 2 0 334.414 3.190 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330585 457859670 /nfs/dbraw/zinc/85/96/70/457859670.db2.gz LZOHDVVHCJSVPS-NRFANRHFSA-N 2 0 329.532 3.446 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231525 457875027 /nfs/dbraw/zinc/87/50/27/457875027.db2.gz TWDBREZTGCEGKY-TYPHKJRUSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000358238189 457878499 /nfs/dbraw/zinc/87/84/99/457878499.db2.gz MKKQIGKLVCQSBI-UMGGQSCQSA-N 2 0 345.531 3.475 20 0 EGADRP COc1ccc(Cl)cc1[C@H](CC(C)C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358257969 457892907 /nfs/dbraw/zinc/89/29/07/457892907.db2.gz VFPKITWITAIKBX-FUHWJXTLSA-N 2 0 340.895 3.092 20 0 EGADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332366 457937720 /nfs/dbraw/zinc/93/77/20/457937720.db2.gz VZSTWZWPJGUYEG-CJNGLKHVSA-N 2 0 330.394 3.195 20 0 EGADRP Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371469577 457948251 /nfs/dbraw/zinc/94/82/51/457948251.db2.gz FTLQXNJZHPJICI-ZAAXVRCTSA-N 2 0 328.456 3.425 20 0 EGADRP [NH3+]CCCCCCC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000375508972 457955621 /nfs/dbraw/zinc/95/56/21/457955621.db2.gz AYIXAEHKGBQPJG-VQTJNVASSA-N 2 0 345.531 3.094 20 0 EGADRP CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358379456 457965378 /nfs/dbraw/zinc/96/53/78/457965378.db2.gz FPQOEGRRIIGULK-IEBWSBKVSA-N 2 0 345.531 3.276 20 0 EGADRP CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358379467 457965420 /nfs/dbraw/zinc/96/54/20/457965420.db2.gz FPQOEGRRIIGULK-PKOBYXMFSA-N 2 0 345.531 3.276 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000434623935 458023921 /nfs/dbraw/zinc/02/39/21/458023921.db2.gz OCGFTFXYINABGI-FQEVSTJZSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]1C[N@H+](CCCc2ccccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371697420 458038907 /nfs/dbraw/zinc/03/89/07/458038907.db2.gz WAZNDKABMCIXIL-YLJYHZDGSA-N 2 0 349.950 3.230 20 0 EGADRP Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000375738535 458044709 /nfs/dbraw/zinc/04/47/09/458044709.db2.gz PCHQHCQWYRBSID-HSALFYBXSA-N 2 0 338.499 3.119 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358522055 458054419 /nfs/dbraw/zinc/05/44/19/458054419.db2.gz ZJLIBCUMAGJXBN-INIZCTEOSA-N 2 0 343.515 3.214 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412131665 458102996 /nfs/dbraw/zinc/10/29/96/458102996.db2.gz PBERFQWJNAFWGM-YLJYHZDGSA-N 2 0 343.515 3.085 20 0 EGADRP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)CC(C)(C)C[NH3+] ZINC000435381653 458131017 /nfs/dbraw/zinc/13/10/17/458131017.db2.gz XGKZJKMLLXICBY-UHFFFAOYSA-N 2 0 349.482 3.351 20 0 EGADRP C[C@@H](CC1CCOCC1)C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435390415 458134695 /nfs/dbraw/zinc/13/46/95/458134695.db2.gz PBIWCKZHXMIGTM-GHTZIAJQSA-N 2 0 345.531 3.479 20 0 EGADRP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2)cs1 ZINC000435391780 458136221 /nfs/dbraw/zinc/13/62/21/458136221.db2.gz UGBXKYHTKQBDDO-SNRMKQJTSA-N 2 0 343.496 3.200 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCSCc3ccccc3)C2)CC1 ZINC000369298663 458163231 /nfs/dbraw/zinc/16/32/31/458163231.db2.gz NQDXWULLYDJEHX-FQEVSTJZSA-N 2 0 347.572 3.020 20 0 EGADRP CC(C)[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000376098312 458194659 /nfs/dbraw/zinc/19/46/59/458194659.db2.gz VFMJZSWUIOUGQT-RTWAWAEBSA-N 2 0 329.532 3.138 20 0 EGADRP CCOC1(C)CC[NH+](CCC[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000428744311 458204100 /nfs/dbraw/zinc/20/41/00/458204100.db2.gz AYOQNLSUELVTQO-UHFFFAOYSA-N 2 0 326.525 3.159 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)N1CC[NH+](C)CC1 ZINC000428862215 458224566 /nfs/dbraw/zinc/22/45/66/458224566.db2.gz MSHMESWURUEDMF-CQSZACIVSA-N 2 0 349.466 3.129 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000372192663 458225387 /nfs/dbraw/zinc/22/53/87/458225387.db2.gz VYRNRBQUNPAWHW-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(C2CCCCC2)n1 ZINC000446885132 458241517 /nfs/dbraw/zinc/24/15/17/458241517.db2.gz UDQKOEUVCPCBQL-UHFFFAOYSA-N 2 0 330.520 3.432 20 0 EGADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000372333687 458279838 /nfs/dbraw/zinc/27/98/38/458279838.db2.gz RXCPUMIKQMCDDW-SIKLNZKXSA-N 2 0 343.559 3.343 20 0 EGADRP Cn1cc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cccc(F)c2)cn1 ZINC000447582567 458316155 /nfs/dbraw/zinc/31/61/55/458316155.db2.gz XCUYXNYIPJXJSB-HXUWFJFHSA-N 2 0 342.462 3.113 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCSCc1ccccc1 ZINC000376490012 458316709 /nfs/dbraw/zinc/31/67/09/458316709.db2.gz FWPFTAKVEALRBI-AQNXPRMDSA-N 2 0 348.556 3.493 20 0 EGADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447594602 458318956 /nfs/dbraw/zinc/31/89/56/458318956.db2.gz ZYVSYXKYVGKAAH-QWHCGFSZSA-N 2 0 349.302 3.317 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429421001 458331261 /nfs/dbraw/zinc/33/12/61/458331261.db2.gz DSEIEFSXFNBCJH-UYAOXDASSA-N 2 0 334.479 3.144 20 0 EGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459370022 458346809 /nfs/dbraw/zinc/34/68/09/458346809.db2.gz GSHREAZYPRYFLW-MRXNPFEDSA-N 2 0 343.862 3.359 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CCn2ccnc2C)[C@H]1Sc1ccccc1 ZINC000459389927 458355572 /nfs/dbraw/zinc/35/55/72/458355572.db2.gz OFYLYPXVTCHFMU-KZNAEPCWSA-N 2 0 331.485 3.119 20 0 EGADRP CCC[N@H+](CCc1cncn1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000459420834 458364549 /nfs/dbraw/zinc/36/45/49/458364549.db2.gz GNFUQZXAWRGDQA-INIZCTEOSA-N 2 0 328.460 3.010 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1SC ZINC000459429585 458368650 /nfs/dbraw/zinc/36/86/50/458368650.db2.gz PNMMQGLLNWSTEG-KSZLIROESA-N 2 0 326.550 3.282 20 0 EGADRP C[NH+](C)[C@H]1CCCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000372990294 458368736 /nfs/dbraw/zinc/36/87/36/458368736.db2.gz PGRDYNOBJHKVGZ-AZUAARDMSA-N 2 0 332.488 3.161 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000459553983 458409006 /nfs/dbraw/zinc/40/90/06/458409006.db2.gz BRZZSGMJHRAZEN-QGZVFWFLSA-N 2 0 327.516 3.164 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000423428302 458431316 /nfs/dbraw/zinc/43/13/16/458431316.db2.gz GJJVMVLDLCYYPB-FTRWYGJKSA-N 2 0 337.467 3.099 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423444842 458434596 /nfs/dbraw/zinc/43/45/96/458434596.db2.gz RGYZDRNCMAIUNN-ZOCIIQOWSA-N 2 0 344.503 3.255 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423463130 458436377 /nfs/dbraw/zinc/43/63/77/458436377.db2.gz UZRFNPGPNAKMOT-FZMZJTMJSA-N 2 0 327.266 3.380 20 0 EGADRP CC[C@H]([NH3+])C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423464446 458436538 /nfs/dbraw/zinc/43/65/38/458436538.db2.gz MAMNKMFAWHSQJJ-HOTGVXAUSA-N 2 0 341.293 3.244 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]2CCCO[C@H]21 ZINC000423469787 458437476 /nfs/dbraw/zinc/43/74/76/458437476.db2.gz KOSSJWPAWRVDAN-CJSSEVFESA-N 2 0 346.490 3.312 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423478061 458438545 /nfs/dbraw/zinc/43/85/45/458438545.db2.gz SZJZXDXAJWXBCR-RAUXBKROSA-N 2 0 334.479 3.314 20 0 EGADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000423503830 458444739 /nfs/dbraw/zinc/44/47/39/458444739.db2.gz GHQHKKCSHIMXAB-RHSMWYFYSA-N 2 0 339.439 3.148 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534569 458454109 /nfs/dbraw/zinc/45/41/09/458454109.db2.gz AFEKHMIVICNPFL-CYBMUJFWSA-N 2 0 328.485 3.474 20 0 EGADRP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423540185 458454698 /nfs/dbraw/zinc/45/46/98/458454698.db2.gz QARUWTVQAKJKDV-MRXNPFEDSA-N 2 0 326.362 3.472 20 0 EGADRP NC1(C[NH2+][C@H]2CCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423554447 458456900 /nfs/dbraw/zinc/45/69/00/458456900.db2.gz HHLLFSVWAIGAHZ-NRFANRHFSA-N 2 0 335.495 3.257 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NCCC[NH2+]C3CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423556097 458457179 /nfs/dbraw/zinc/45/71/79/458457179.db2.gz MKLHEHNYBKEYKJ-PCCBWWKXSA-N 2 0 327.516 3.161 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000430583928 458466352 /nfs/dbraw/zinc/46/63/52/458466352.db2.gz YKWGGZLNOZURON-ZFWWWQNUSA-N 2 0 325.884 3.281 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000459743188 458466427 /nfs/dbraw/zinc/46/64/27/458466427.db2.gz WVRXJKCLTYJMRK-LBPRGKRZSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430581460 458466533 /nfs/dbraw/zinc/46/65/33/458466533.db2.gz ONVNHEYTPQNKFP-CHWSQXEVSA-N 2 0 343.393 3.093 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423730347 458476377 /nfs/dbraw/zinc/47/63/77/458476377.db2.gz POCJRLQBVRNTPH-FGTMMUONSA-N 2 0 335.536 3.150 20 0 EGADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423804065 458487020 /nfs/dbraw/zinc/48/70/20/458487020.db2.gz XJHONDPMIVMWCQ-UFYCRDLUSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)n1nccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373427132 458490354 /nfs/dbraw/zinc/49/03/54/458490354.db2.gz PDMVJSZDBXOOIK-QZTJIDSGSA-N 2 0 348.535 3.175 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000460139993 458502251 /nfs/dbraw/zinc/50/22/51/458502251.db2.gz QPLDETJVQUXHTQ-HKUYNNGSSA-N 2 0 348.535 3.017 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431025445 458518774 /nfs/dbraw/zinc/51/87/74/458518774.db2.gz SWAADSBOUFESIC-HNNXBMFYSA-N 2 0 326.444 3.182 20 0 EGADRP CCC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)C1CC[NH2+]CC1 ZINC000431088382 458527625 /nfs/dbraw/zinc/52/76/25/458527625.db2.gz WGEHJOWWVGPGII-UHFFFAOYSA-N 2 0 326.488 3.453 20 0 EGADRP CC[C@@H]1CN(c2cc(C)c3ccc(C)cc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000460943597 458541344 /nfs/dbraw/zinc/54/13/44/458541344.db2.gz MZYQTJCJPBAYMQ-IAGOWNOFSA-N 2 0 327.472 3.133 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCN1CCCCC1 ZINC000469760128 458590148 /nfs/dbraw/zinc/59/01/48/458590148.db2.gz HHAYTLQLRIOYGV-KXTWHKPSSA-N 2 0 329.532 3.219 20 0 EGADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000493901742 458597197 /nfs/dbraw/zinc/59/71/97/458597197.db2.gz WQSIBDSVZRDTFT-UTKZUKDTSA-N 2 0 342.483 3.493 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431741051 458615759 /nfs/dbraw/zinc/61/57/59/458615759.db2.gz BAJHDSSDDCCKSD-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000424329533 458618294 /nfs/dbraw/zinc/61/82/94/458618294.db2.gz GTXVLEBDCGCTGN-CHWSQXEVSA-N 2 0 330.259 3.182 20 0 EGADRP CCCc1csc(CN[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)n1 ZINC000494045687 458619378 /nfs/dbraw/zinc/61/93/78/458619378.db2.gz BULODYJPKQHJOF-RDJZCZTQSA-N 2 0 339.549 3.322 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431790815 458624679 /nfs/dbraw/zinc/62/46/79/458624679.db2.gz IXRDMNMKYBILFL-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424378573 458629042 /nfs/dbraw/zinc/62/90/42/458629042.db2.gz TZQGGQZAYDQYJP-VCTAVGKDSA-N 2 0 329.257 3.379 20 0 EGADRP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000462826590 458660112 /nfs/dbraw/zinc/66/01/12/458660112.db2.gz QIQKBXZLEXUFSF-LSDHHAIUSA-N 2 0 347.890 3.396 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000463140319 458678370 /nfs/dbraw/zinc/67/83/70/458678370.db2.gz KZGQLXDEEUAWSV-UHFFFAOYSA-N 2 0 347.522 3.298 20 0 EGADRP [NH3+]C1CCC([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC1 ZINC000530210360 458716464 /nfs/dbraw/zinc/71/64/64/458716464.db2.gz KBLUMQMZKOFVPW-UHFFFAOYSA-N 2 0 332.492 3.252 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C12CCCCC2 ZINC000432430663 458738612 /nfs/dbraw/zinc/73/86/12/458738612.db2.gz UDXNGSVNSGHPTB-GBESFXJTSA-N 2 0 338.536 3.205 20 0 EGADRP C[C@@H](NCC[NH+]1CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511521 458753259 /nfs/dbraw/zinc/75/32/59/458753259.db2.gz HLRUNRVUUHNMIW-TZIWHRDSSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@@H](NCC[NH+]1CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511518 458753845 /nfs/dbraw/zinc/75/38/45/458753845.db2.gz HLRUNRVUUHNMIW-CTNGQTDRSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@@H](C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1 ZINC000530411743 458763815 /nfs/dbraw/zinc/76/38/15/458763815.db2.gz ZZZNIULGXVXKIO-UGKGYDQZSA-N 2 0 337.511 3.368 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000456726554 458764771 /nfs/dbraw/zinc/76/47/71/458764771.db2.gz JMIWFTRXIDUMHP-HXUWFJFHSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000472347745 458789494 /nfs/dbraw/zinc/78/94/94/458789494.db2.gz PZAPYKLPJRCYLM-QUCCMNQESA-N 2 0 339.483 3.268 20 0 EGADRP Cc1ccc2cc([C@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)oc2c1 ZINC000495258391 458821028 /nfs/dbraw/zinc/82/10/28/458821028.db2.gz BEPXACUYXYCNKV-INIZCTEOSA-N 2 0 329.488 3.418 20 0 EGADRP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000474466319 458887596 /nfs/dbraw/zinc/88/75/96/458887596.db2.gz DYTLWZUXFMFWSD-RBUKOAKNSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223316 458903149 /nfs/dbraw/zinc/90/31/49/458903149.db2.gz GSPVJVLLQKVHDE-YLJYHZDGSA-N 2 0 349.478 3.348 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000518980813 458904966 /nfs/dbraw/zinc/90/49/66/458904966.db2.gz NBUKPUTUDOXTKH-LJQANCHMSA-N 2 0 331.504 3.190 20 0 EGADRP Cc1cc2ncn(C[C@H](O)C[NH+]3CC4(C3)CCCCC4)c2cc1C ZINC000519037176 458909121 /nfs/dbraw/zinc/90/91/21/458909121.db2.gz SOZWFSIMCRQIOB-QGZVFWFLSA-N 2 0 327.472 3.280 20 0 EGADRP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000475131081 458921626 /nfs/dbraw/zinc/92/16/26/458921626.db2.gz PYGHPKUVBCJSES-HXUWFJFHSA-N 2 0 345.531 3.449 20 0 EGADRP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000475706634 458958776 /nfs/dbraw/zinc/95/87/76/458958776.db2.gz ZFADOQNRSLDRHH-QGZVFWFLSA-N 2 0 335.923 3.114 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000566716887 458987834 /nfs/dbraw/zinc/98/78/34/458987834.db2.gz OKAPXFAFBTWAJO-RTWAWAEBSA-N 2 0 330.516 3.382 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000577170549 458990933 /nfs/dbraw/zinc/99/09/33/458990933.db2.gz JBPTYAHIUGODNU-OAHLLOKOSA-N 2 0 327.241 3.165 20 0 EGADRP C[N@H+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000566736698 458991342 /nfs/dbraw/zinc/99/13/42/458991342.db2.gz KMNOZCNEYGDBHP-IBGZPJMESA-N 2 0 345.531 3.483 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566863618 459013275 /nfs/dbraw/zinc/01/32/75/459013275.db2.gz DPFOJGFHDVBKBN-INIZCTEOSA-N 2 0 337.895 3.453 20 0 EGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCCCC[NH2+]1 ZINC000577400626 459028697 /nfs/dbraw/zinc/02/86/97/459028697.db2.gz QNYOPQSFHNJJNR-HXUWFJFHSA-N 2 0 343.515 3.211 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C2CCCC2)o1 ZINC000442871102 459049062 /nfs/dbraw/zinc/04/90/62/459049062.db2.gz HBAXZWSWSZTEQK-IBGZPJMESA-N 2 0 333.520 3.435 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442876532 459050452 /nfs/dbraw/zinc/05/04/52/459050452.db2.gz PPUYHRYXENFNGH-IBGZPJMESA-N 2 0 329.532 3.296 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881431 459051715 /nfs/dbraw/zinc/05/17/15/459051715.db2.gz ZKODPGAVNGUUQN-HXUWFJFHSA-N 2 0 331.548 3.259 20 0 EGADRP CCOc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1OC(F)F ZINC000442916691 459059701 /nfs/dbraw/zinc/05/97/01/459059701.db2.gz ACZSNYSRKVRUND-ZDUSSCGKSA-N 2 0 328.403 3.248 20 0 EGADRP CC(C)c1ccc([C@H](NC(=O)CN2CC[C@H]([NH3+])C[C@@H]2C)C(C)C)cc1 ZINC000567176075 459059838 /nfs/dbraw/zinc/05/98/38/459059838.db2.gz AZLOOYVWSFEQTL-NBHGPNQESA-N 2 0 345.531 3.435 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442928005 459062196 /nfs/dbraw/zinc/06/21/96/459062196.db2.gz PACCHCQACCCAFI-GFCCVEGCSA-N 2 0 327.266 3.019 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCc3cc(OC)ccc3C2)cc1 ZINC000557334589 459063425 /nfs/dbraw/zinc/06/34/25/459063425.db2.gz GKMQOPYIOLUVCA-LJQANCHMSA-N 2 0 340.467 3.195 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120493 459074803 /nfs/dbraw/zinc/07/48/03/459074803.db2.gz HLLHPSYHHCWELD-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060128 459081161 /nfs/dbraw/zinc/08/11/61/459081161.db2.gz OFDWWZQEWWPBPO-OLZOCXBDSA-N 2 0 343.393 3.093 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CS1 ZINC000567302533 459082795 /nfs/dbraw/zinc/08/27/95/459082795.db2.gz PEAYWHCVOXEDSA-AQNXPRMDSA-N 2 0 347.572 3.095 20 0 EGADRP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000532516940 459105337 /nfs/dbraw/zinc/10/53/37/459105337.db2.gz SAHSWBUKCAGQFF-XQBPLPMBSA-N 2 0 338.495 3.405 20 0 EGADRP CC(C)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1F ZINC000479340602 459134133 /nfs/dbraw/zinc/13/41/33/459134133.db2.gz ZZRCQKQNSCPZQR-LJQANCHMSA-N 2 0 339.474 3.278 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000496284135 459135662 /nfs/dbraw/zinc/13/56/62/459135662.db2.gz NNPBXGZAXWSYQM-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP COc1cc(C)ccc1[C@H](C)NCc1ccncc1OCC[NH+](C)C ZINC000558165086 459135795 /nfs/dbraw/zinc/13/57/95/459135795.db2.gz AUOGXICYXVLXKT-INIZCTEOSA-N 2 0 343.471 3.190 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000567647676 459138933 /nfs/dbraw/zinc/13/89/33/459138933.db2.gz IMBGILJXWXACOE-OALUTQOASA-N 2 0 334.467 3.302 20 0 EGADRP CC1CCC(O)(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000578064161 459139767 /nfs/dbraw/zinc/13/97/67/459139767.db2.gz WLCRAAXZYUQNGT-HFCFLWKCSA-N 2 0 336.545 3.491 20 0 EGADRP CC(C)C[C@H]1COCC[NH+]1CCCC[N@H+]1CCOC[C@@H]1CC(C)C ZINC000558528518 459171225 /nfs/dbraw/zinc/17/12/25/459171225.db2.gz HEEJTCMJNJNONF-PMACEKPBSA-N 2 0 340.552 3.260 20 0 EGADRP CC(C)[C@H](CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000480539570 459203258 /nfs/dbraw/zinc/20/32/58/459203258.db2.gz VRXKTIBTAPIQKL-NQIIRXRSSA-N 2 0 347.547 3.398 20 0 EGADRP CN(CC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1 ZINC000522058608 459208985 /nfs/dbraw/zinc/20/89/85/459208985.db2.gz ZYNAJTRTTZKVJJ-UHFFFAOYSA-N 2 0 347.409 3.015 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCC2)[C@H](C)C1 ZINC000480694387 459214224 /nfs/dbraw/zinc/21/42/24/459214224.db2.gz PALOPKSFYKVVSQ-QZTJIDSGSA-N 2 0 326.525 3.062 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786677 459219125 /nfs/dbraw/zinc/21/91/25/459219125.db2.gz LUUYNEKXUUGZQM-UHFFFAOYSA-N 2 0 345.531 3.480 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000480909838 459223912 /nfs/dbraw/zinc/22/39/12/459223912.db2.gz HIVNKMIUNQHBLN-PMACEKPBSA-N 2 0 345.531 3.106 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000522208525 459227409 /nfs/dbraw/zinc/22/74/09/459227409.db2.gz WWKUTZKSDCVYEK-GOSISDBHSA-N 2 0 335.536 3.166 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC(C[NH+](C)C(C)C)CC1)c1ccccc1 ZINC000590808607 459228902 /nfs/dbraw/zinc/22/89/02/459228902.db2.gz FMBHGEFDBXSCPB-FQEVSTJZSA-N 2 0 345.531 3.258 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000590819021 459232543 /nfs/dbraw/zinc/23/25/43/459232543.db2.gz TYEYQJSEEWNDOV-FGTMMUONSA-N 2 0 337.552 3.217 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000568383900 459278577 /nfs/dbraw/zinc/27/85/77/459278577.db2.gz NYYZZHAUYXTITO-KRWDZBQOSA-N 2 0 344.421 3.321 20 0 EGADRP CC(C)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000595339721 459280111 /nfs/dbraw/zinc/28/01/11/459280111.db2.gz POOLRWQIVSZILQ-OAQYLSRUSA-N 2 0 329.532 3.410 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1)C(C)C ZINC000523118065 459280828 /nfs/dbraw/zinc/28/08/28/459280828.db2.gz ZRFFIYCZWKNOBD-KRWDZBQOSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000559984929 459290150 /nfs/dbraw/zinc/29/01/50/459290150.db2.gz AJDCHMMQVIIPDH-HOJAQTOUSA-N 2 0 329.532 3.389 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)CCC2 ZINC000568628229 459319277 /nfs/dbraw/zinc/31/92/77/459319277.db2.gz PDLRMUCJERAEQJ-LPHOPBHVSA-N 2 0 334.529 3.222 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000591161301 459326692 /nfs/dbraw/zinc/32/66/92/459326692.db2.gz XRCZNQMDXFHORR-VQTJNVASSA-N 2 0 345.531 3.224 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC000482978197 459333405 /nfs/dbraw/zinc/33/34/05/459333405.db2.gz MSTRQGRSUDOLBQ-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000591418035 459375205 /nfs/dbraw/zinc/37/52/05/459375205.db2.gz DFQOGMYXJSECNI-IBGZPJMESA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000569101336 459396076 /nfs/dbraw/zinc/39/60/76/459396076.db2.gz JPSBCTQARRAGEB-KVPLUYHFSA-N 2 0 343.515 3.330 20 0 EGADRP CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000483858884 459396161 /nfs/dbraw/zinc/39/61/61/459396161.db2.gz LBEDNWZGGHGCGO-XFQXTVEOSA-N 2 0 334.504 3.481 20 0 EGADRP CSC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000569110982 459398394 /nfs/dbraw/zinc/39/83/94/459398394.db2.gz LRYKNNHCICSORF-IBGZPJMESA-N 2 0 336.545 3.265 20 0 EGADRP C[N@H+](CCCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000497013126 459406297 /nfs/dbraw/zinc/40/62/97/459406297.db2.gz FEWIAVOZKPJGGV-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[NH2+]C1 ZINC000560943319 459407473 /nfs/dbraw/zinc/40/74/73/459407473.db2.gz SBMNAMWMPKLFON-TZMCWYRMSA-N 2 0 345.468 3.017 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N(C)c2ccccc2)CC1 ZINC000541088826 459425647 /nfs/dbraw/zinc/42/56/47/459425647.db2.gz IAMQJIXUJSAJKB-UHFFFAOYSA-N 2 0 345.531 3.483 20 0 EGADRP COC(=O)c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)s1 ZINC000595900586 459480734 /nfs/dbraw/zinc/48/07/34/459480734.db2.gz HJHQOVRGAZEFRM-HNNXBMFYSA-N 2 0 336.501 3.055 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1Cl ZINC000541886235 459505716 /nfs/dbraw/zinc/50/57/16/459505716.db2.gz UEBFRFCKGSESNL-GOSISDBHSA-N 2 0 335.923 3.249 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000569802291 459512588 /nfs/dbraw/zinc/51/25/88/459512588.db2.gz NKBSAFBWSAJOPH-MRXNPFEDSA-N 2 0 330.476 3.038 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000525996309 459527697 /nfs/dbraw/zinc/52/76/97/459527697.db2.gz GZCQNVMWAREKPC-DZFIZOCASA-N 2 0 346.515 3.322 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000583814698 459601413 /nfs/dbraw/zinc/60/14/13/459601413.db2.gz IJBUUMXQNUXFAR-SLYNCCJLSA-N 2 0 349.563 3.397 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000583867303 459609144 /nfs/dbraw/zinc/60/91/44/459609144.db2.gz ZHNOVLPWRQVJGH-MRVWCRGKSA-N 2 0 336.423 3.034 20 0 EGADRP CC[N@H+](CCC(C)(C)C(=O)OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000527511454 459651750 /nfs/dbraw/zinc/65/17/50/459651750.db2.gz QKVOSMVJZNMCTQ-LJQANCHMSA-N 2 0 346.515 3.420 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000527653964 459685419 /nfs/dbraw/zinc/68/54/19/459685419.db2.gz NUNUFMDCWWTXIS-HMXCVIKNSA-N 2 0 329.532 3.328 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000562986889 459686908 /nfs/dbraw/zinc/68/69/08/459686908.db2.gz CPXUFQBMPHXHTH-QKLQHJQFSA-N 2 0 336.495 3.077 20 0 EGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000501074844 459709952 /nfs/dbraw/zinc/70/99/52/459709952.db2.gz HGCLOOFPAKWINV-UHFFFAOYSA-N 2 0 335.511 3.454 20 0 EGADRP CC(C)C[C@@H](CNC(=O)c1coc(C[NH3+])c1)[NH2+][C@H](C)c1ccccc1 ZINC000563074797 459710904 /nfs/dbraw/zinc/71/09/04/459710904.db2.gz PQZHBGWRUDZEQM-QAPCUYQASA-N 2 0 343.471 3.234 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1)C(C)C ZINC000563115203 459718172 /nfs/dbraw/zinc/71/81/72/459718172.db2.gz NUYXAFCITFMRSS-MJGOQNOKSA-N 2 0 331.504 3.164 20 0 EGADRP CC(C)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000584463852 459745810 /nfs/dbraw/zinc/74/58/10/459745810.db2.gz KRVSYQMNFYEORY-CUWPLCDZSA-N 2 0 329.532 3.047 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)[C@H]3CC34CC4)cc2)CC1 ZINC000527846640 459757346 /nfs/dbraw/zinc/75/73/46/459757346.db2.gz FUZXTWXACZBWCP-YLJYHZDGSA-N 2 0 327.516 3.102 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527854812 459759227 /nfs/dbraw/zinc/75/92/27/459759227.db2.gz XEDAOPWWHGHXSG-SCLBCKFNSA-N 2 0 339.886 3.082 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527859135 459761170 /nfs/dbraw/zinc/76/11/70/459761170.db2.gz CUJFOBFDKCQODT-RDTXWAMCSA-N 2 0 340.870 3.293 20 0 EGADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CCN[C@@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069984 459775610 /nfs/dbraw/zinc/77/56/10/459775610.db2.gz QPLGITQHKIITJW-YTQUADARSA-N 2 0 343.515 3.093 20 0 EGADRP CC1=CC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000566024103 459794783 /nfs/dbraw/zinc/79/47/83/459794783.db2.gz GTBDPXABNPRXIA-OAQYLSRUSA-N 2 0 327.516 3.283 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000566257686 459830799 /nfs/dbraw/zinc/83/07/99/459830799.db2.gz LJPDEKZHNFAKLE-LSDHHAIUSA-N 2 0 342.487 3.326 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000566295078 459837113 /nfs/dbraw/zinc/83/71/13/459837113.db2.gz PYADWWPQLICDNN-QRQLOZEOSA-N 2 0 335.536 3.007 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000593323623 459842123 /nfs/dbraw/zinc/84/21/23/459842123.db2.gz RIIWKLMYNKMFHL-OAHLLOKOSA-N 2 0 334.460 3.121 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4CC[N@H+](C)C4)n3)cc2)CC1 ZINC000546294739 459908371 /nfs/dbraw/zinc/90/83/71/459908371.db2.gz PZEGVFWGNWKQLP-GOSISDBHSA-N 2 0 340.471 3.388 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621641671 459993911 /nfs/dbraw/zinc/99/39/11/459993911.db2.gz RCGXQPYUSVZDON-QGZVFWFLSA-N 2 0 347.503 3.126 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621641832 459994585 /nfs/dbraw/zinc/99/45/85/459994585.db2.gz XOTCGZUIBGXSGT-QGZVFWFLSA-N 2 0 347.503 3.126 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000621642089 459994912 /nfs/dbraw/zinc/99/49/12/459994912.db2.gz DDBONXZAGCTDNG-ICSRJNTNSA-N 2 0 343.515 3.110 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621645975 459996133 /nfs/dbraw/zinc/99/61/33/459996133.db2.gz OUIBGBRBJPQDBU-MSOLQXFVSA-N 2 0 343.515 3.108 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000575880988 460025477 /nfs/dbraw/zinc/02/54/77/460025477.db2.gz CRIBGYFERVZFJW-PKOBYXMFSA-N 2 0 341.430 3.438 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387124 460123431 /nfs/dbraw/zinc/12/34/31/460123431.db2.gz ARZSMSNXFILPJU-IRXDYDNUSA-N 2 0 326.488 3.478 20 0 EGADRP Cc1ccc(C(=O)N2CCC([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000576388801 460130587 /nfs/dbraw/zinc/13/05/87/460130587.db2.gz KKIBMMUZYSRVSU-SFTDATJTSA-N 2 0 349.478 3.334 20 0 EGADRP COCCSCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000618744277 460153505 /nfs/dbraw/zinc/15/35/05/460153505.db2.gz MXKGJVGRRINQBU-UHFFFAOYSA-N 2 0 328.566 3.344 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000599311324 460225000 /nfs/dbraw/zinc/22/50/00/460225000.db2.gz OHFDRLVAHJTEGP-XLIONFOSSA-N 2 0 343.515 3.162 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000603336770 460286657 /nfs/dbraw/zinc/28/66/57/460286657.db2.gz PAQOYSXQUXPKMS-KRWDZBQOSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[NH+]1CCCCCC1 ZINC000615445413 460329141 /nfs/dbraw/zinc/32/91/41/460329141.db2.gz OLLRIIPBJYISTN-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP FC(F)CN1CCC(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000623089434 460407897 /nfs/dbraw/zinc/40/78/97/460407897.db2.gz HFRYKTBIKKBWSF-UHFFFAOYSA-N 2 0 343.506 3.350 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1F ZINC000634680094 460473488 /nfs/dbraw/zinc/47/34/88/460473488.db2.gz KDNPSRINLNJRJF-IBGZPJMESA-N 2 0 339.474 3.279 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629539986 460801235 /nfs/dbraw/zinc/80/12/35/460801235.db2.gz SVRWGMKEFVQQBN-NLWGTHIKSA-N 2 0 331.504 3.232 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623967866 460801909 /nfs/dbraw/zinc/80/19/09/460801909.db2.gz LHJQXTUKVAISLF-QGZVFWFLSA-N 2 0 335.879 3.367 20 0 EGADRP COc1ccccc1CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565937 460813408 /nfs/dbraw/zinc/81/34/08/460813408.db2.gz XHQYITBOJHVRHZ-LSDHHAIUSA-N 2 0 330.394 3.087 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624121458 460869791 /nfs/dbraw/zinc/86/97/91/460869791.db2.gz XBBROBIUNIFHKV-HOTGVXAUSA-N 2 0 344.503 3.353 20 0 EGADRP O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000624259523 460934521 /nfs/dbraw/zinc/93/45/21/460934521.db2.gz OIRHWRZVPKBSLO-SLFFLAALSA-N 2 0 337.467 3.178 20 0 EGADRP CCOc1cncc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621343651 460998397 /nfs/dbraw/zinc/99/83/97/460998397.db2.gz MFLRFHCUNMKJCC-YLJYHZDGSA-N 2 0 339.483 3.481 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000635990170 461000091 /nfs/dbraw/zinc/00/00/91/461000091.db2.gz MXTKIPNCVRWVQJ-LJQANCHMSA-N 2 0 347.547 3.116 20 0 EGADRP Cc1cn2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cc2n1 ZINC000635996178 461000897 /nfs/dbraw/zinc/00/08/97/461000897.db2.gz BLAONJXZRDYAPE-SFHVURJKSA-N 2 0 334.423 3.444 20 0 EGADRP Cc1ccc([C@H](C)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000628186544 461038291 /nfs/dbraw/zinc/03/82/91/461038291.db2.gz NRAIXJWNNLKEKQ-SVFBPWRDSA-N 2 0 329.532 3.056 20 0 EGADRP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348981 461141420 /nfs/dbraw/zinc/14/14/20/461141420.db2.gz XXJMVRNHRSBRRY-SLFFLAALSA-N 2 0 346.515 3.291 20 0 EGADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349200 461142126 /nfs/dbraw/zinc/14/21/26/461142126.db2.gz FJXFCGQNJPOXMO-QXSJWSMHSA-N 2 0 335.492 3.251 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000652348216 461143140 /nfs/dbraw/zinc/14/31/40/461143140.db2.gz XRSQIZQUJJOQAT-LBTNJELSSA-N 2 0 340.870 3.240 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652354663 461150745 /nfs/dbraw/zinc/15/07/45/461150745.db2.gz DPTFRUPDPHVYQC-QFBILLFUSA-N 2 0 331.504 3.022 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000662272334 461157992 /nfs/dbraw/zinc/15/79/92/461157992.db2.gz DWTJIHADHPFPEL-OLZOCXBDSA-N 2 0 328.378 3.249 20 0 EGADRP Fc1ccc(SCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000662274327 461159960 /nfs/dbraw/zinc/15/99/60/461159960.db2.gz VISIPBQBSQJSQA-AWEZNQCLSA-N 2 0 326.456 3.378 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000646270708 461163121 /nfs/dbraw/zinc/16/31/21/461163121.db2.gz RQRXESUVYUMWFU-FQEVSTJZSA-N 2 0 344.499 3.018 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290702 461168264 /nfs/dbraw/zinc/16/82/64/461168264.db2.gz IIFHSLJUUUERSK-GOEBONIOSA-N 2 0 349.906 3.379 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980735 461169517 /nfs/dbraw/zinc/16/95/17/461169517.db2.gz ZVJWXQDNHZFNQK-ZIFCJYIRSA-N 2 0 330.520 3.458 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000649552040 461171596 /nfs/dbraw/zinc/17/15/96/461171596.db2.gz VDWIRKSUNZLNHY-PWRODBHTSA-N 2 0 327.516 3.067 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294549 461172616 /nfs/dbraw/zinc/17/26/16/461172616.db2.gz QSTPNYNAKFLTLJ-KRWDZBQOSA-N 2 0 347.478 3.174 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)[C@@H]1CCC[NH3+] ZINC000662317109 461187883 /nfs/dbraw/zinc/18/78/83/461187883.db2.gz ZOOLIUXVLOFVIY-MLGOLLRUSA-N 2 0 341.858 3.257 20 0 EGADRP COc1cc(C)c([C@@H](C)N2CCC([N@H+](C)C[C@H](C)O)CC2)cc1C ZINC000638048845 461214982 /nfs/dbraw/zinc/21/49/82/461214982.db2.gz UZJVAIBBUAEVDC-DLBZAZTESA-N 2 0 334.504 3.150 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)c1ccsc1 ZINC000662383831 461226431 /nfs/dbraw/zinc/22/64/31/461226431.db2.gz FRULSGYARKKHNQ-GOSISDBHSA-N 2 0 343.496 3.164 20 0 EGADRP CC(C)O[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702459 461287811 /nfs/dbraw/zinc/28/78/11/461287811.db2.gz DXTDHGJYTRJYJE-KDURUIRLSA-N 2 0 326.525 3.155 20 0 EGADRP CN(C)[C@@H](C(=O)N(C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000641660713 461307995 /nfs/dbraw/zinc/30/79/95/461307995.db2.gz AGOFTFSWTMQCPO-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP C[C@@H](NCc1cnc(N(C)C)n1C)c1nc2ccccc2n1C(F)F ZINC000641706137 461328165 /nfs/dbraw/zinc/32/81/65/461328165.db2.gz YKCMCKSNGAADOF-LLVKDONJSA-N 2 0 348.401 3.082 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662673510 461343679 /nfs/dbraw/zinc/34/36/79/461343679.db2.gz MDXZHKNDLVKDCA-GOSISDBHSA-N 2 0 343.515 3.010 20 0 EGADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000641807770 461381825 /nfs/dbraw/zinc/38/18/25/461381825.db2.gz RWVSYVBGWBHDTC-OLZOCXBDSA-N 2 0 330.259 3.037 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCOC1 ZINC000638362983 461388990 /nfs/dbraw/zinc/38/89/90/461388990.db2.gz HSHMGVCZWRSLCN-IOMROCGXSA-N 2 0 346.515 3.202 20 0 EGADRP [NH3+][C@H](CCC(=O)NCC1CC[NH+](CC2CC2)CC1)CC1CCCCC1 ZINC000662972657 461419061 /nfs/dbraw/zinc/41/90/61/461419061.db2.gz QLGXEWQRMOPQLE-HXUWFJFHSA-N 2 0 349.563 3.303 20 0 EGADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638434288 461428059 /nfs/dbraw/zinc/42/80/59/461428059.db2.gz JXDXEUBIHDOTFJ-LPHOPBHVSA-N 2 0 331.504 3.064 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000655789885 461449043 /nfs/dbraw/zinc/44/90/43/461449043.db2.gz AEIXRZASQCHVHA-UHFFFAOYSA-N 2 0 330.451 3.284 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638567484 461490025 /nfs/dbraw/zinc/49/00/25/461490025.db2.gz MWKAAIFQJLRVKQ-CTNGQTDRSA-N 2 0 327.516 3.286 20 0 EGADRP CCO[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000649991452 461503617 /nfs/dbraw/zinc/50/36/17/461503617.db2.gz BUNNIVGEJNUVAK-LWYYNNOASA-N 2 0 340.552 3.260 20 0 EGADRP CCN(Cc1cc(OC)ns1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659969355 461522846 /nfs/dbraw/zinc/52/28/46/461522846.db2.gz AXLSZJISFWBSJW-KRWDZBQOSA-N 2 0 345.512 3.496 20 0 EGADRP CC[N@H+](CCCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000653200513 461553886 /nfs/dbraw/zinc/55/38/86/461553886.db2.gz GYYQVHZXLUEECQ-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000638775661 461572714 /nfs/dbraw/zinc/57/27/14/461572714.db2.gz HRILBGYVIYEDJU-BKVYNOPKSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000638775663 461572900 /nfs/dbraw/zinc/57/29/00/461572900.db2.gz HRILBGYVIYEDJU-RRENTHDGSA-N 2 0 335.536 3.066 20 0 EGADRP c1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663346712 461576628 /nfs/dbraw/zinc/57/66/28/461576628.db2.gz DCIUCALOSABDKI-OAQYLSRUSA-N 2 0 341.543 3.363 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@@H]3CN(Cc4ccccc4)C[C@H]3C)cn21 ZINC000647262621 461597747 /nfs/dbraw/zinc/59/77/47/461597747.db2.gz HHDQONSUKPBPRK-DYESRHJHSA-N 2 0 348.494 3.295 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838517 461607824 /nfs/dbraw/zinc/60/78/24/461607824.db2.gz KTLOCZHKURWFCC-PZJWPPBQSA-N 2 0 325.500 3.206 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000638862124 461624842 /nfs/dbraw/zinc/62/48/42/461624842.db2.gz KXYRRWPYGUUVCS-LPOKXYRGSA-N 2 0 347.547 3.007 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000660191612 461628276 /nfs/dbraw/zinc/62/82/76/461628276.db2.gz LPBOJOCYLFFJMU-JFIYKMOQSA-N 2 0 349.494 3.186 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000656197855 461642168 /nfs/dbraw/zinc/64/21/68/461642168.db2.gz CBJUDXRGVCJPQN-FRRDWIJNSA-N 2 0 328.287 3.432 20 0 EGADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000656202129 461645661 /nfs/dbraw/zinc/64/56/61/461645661.db2.gz ZBDRDTOLWQTRBT-DDBAPUKQSA-N 2 0 330.472 3.419 20 0 EGADRP CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000663471742 461661333 /nfs/dbraw/zinc/66/13/33/461661333.db2.gz WKFLCPLIDYCILW-HLAWJBBLSA-N 2 0 338.499 3.293 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000643462839 461735439 /nfs/dbraw/zinc/73/54/39/461735439.db2.gz MRWZJZYBFJVDMM-BURFUSLBSA-N 2 0 335.442 3.054 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462768 461735671 /nfs/dbraw/zinc/73/56/71/461735671.db2.gz GIPBVBIACLBMOE-CJNGLKHVSA-N 2 0 346.425 3.056 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643486547 461742899 /nfs/dbraw/zinc/74/28/99/461742899.db2.gz ZAOZUBAUBGAQKU-IRXDYDNUSA-N 2 0 340.515 3.475 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000643533863 461754540 /nfs/dbraw/zinc/75/45/40/461754540.db2.gz GEFFXTUUYBTACJ-XHDPSFHLSA-N 2 0 326.387 3.089 20 0 EGADRP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535035 461755480 /nfs/dbraw/zinc/75/54/80/461755480.db2.gz HXCZJNGPZJGQES-CABCVRRESA-N 2 0 325.378 3.210 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543311 461757592 /nfs/dbraw/zinc/75/75/92/461757592.db2.gz KXIKVPVFYDJJGL-HZPDHXFCSA-N 2 0 342.462 3.427 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542808 461757635 /nfs/dbraw/zinc/75/76/35/461757635.db2.gz CAIOMMZWSAYJIF-RTBURBONSA-N 2 0 330.520 3.138 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543816 461758312 /nfs/dbraw/zinc/75/83/12/461758312.db2.gz SJUGMXZJWAVHKP-ZWKOTPCHSA-N 2 0 332.488 3.306 20 0 EGADRP Fc1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)c(F)c1 ZINC000643546935 461759872 /nfs/dbraw/zinc/75/98/72/461759872.db2.gz WYLSLLTTZUAVJQ-INIZCTEOSA-N 2 0 335.442 3.198 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660447922 461785270 /nfs/dbraw/zinc/78/52/70/461785270.db2.gz KSYOGNQQWCWIFM-ZIEJVCCYSA-N 2 0 341.543 3.028 20 0 EGADRP C(=C/C[N@@H+]1CC[C@@H](c2ccncc2)C1)\C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653681285 461806057 /nfs/dbraw/zinc/80/60/57/461806057.db2.gz LCYZHJDXGVUJNL-XFDDJKQHSA-N 2 0 348.494 3.312 20 0 EGADRP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647785540 461832792 /nfs/dbraw/zinc/83/27/92/461832792.db2.gz AQWDUVQWAFPVRK-GVDBMIGSSA-N 2 0 327.497 3.330 20 0 EGADRP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647785533 461833204 /nfs/dbraw/zinc/83/32/04/461833204.db2.gz AQWDUVQWAFPVRK-BRWVUGGUSA-N 2 0 327.497 3.330 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC000647784606 461833302 /nfs/dbraw/zinc/83/33/02/461833302.db2.gz ZOEOLYYGCLASDN-RRFJBIMHSA-N 2 0 340.414 3.164 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647786222 461834387 /nfs/dbraw/zinc/83/43/87/461834387.db2.gz LDLLCRQTSUVDKJ-KYHPRHEASA-N 2 0 333.907 3.144 20 0 EGADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788459 461836073 /nfs/dbraw/zinc/83/60/73/461836073.db2.gz JWRSZVKYNAKINR-QSUVIHHLSA-N 2 0 328.500 3.440 20 0 EGADRP Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(Cl)cc21 ZINC000647795845 461838603 /nfs/dbraw/zinc/83/86/03/461838603.db2.gz YCUSSPXDHVAPDQ-FRFSOERESA-N 2 0 331.891 3.352 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCCC2)n1 ZINC000647793077 461838662 /nfs/dbraw/zinc/83/86/62/461838662.db2.gz KDKFDQLIFJKKJZ-KZNAEPCWSA-N 2 0 329.488 3.271 20 0 EGADRP Clc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000647798017 461842132 /nfs/dbraw/zinc/84/21/32/461842132.db2.gz KAPRJWUBUSHRRB-YNEHKIRRSA-N 2 0 329.271 3.350 20 0 EGADRP CC1([NH3+])CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000647925365 461889173 /nfs/dbraw/zinc/88/91/73/461889173.db2.gz GBOSMLGGIRCGRN-UHFFFAOYSA-N 2 0 337.467 3.495 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785515 461894953 /nfs/dbraw/zinc/89/49/53/461894953.db2.gz LFHZMSWTCRBMDJ-SFHVURJKSA-N 2 0 332.488 3.306 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(-c2cccs2)n1 ZINC000656785326 461895094 /nfs/dbraw/zinc/89/50/94/461895094.db2.gz GTUQNZDASFBJIX-INIZCTEOSA-N 2 0 344.528 3.360 20 0 EGADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000656785952 461896376 /nfs/dbraw/zinc/89/63/76/461896376.db2.gz OAEVBWVUYFSCAK-KRWDZBQOSA-N 2 0 330.472 3.060 20 0 EGADRP Cc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000656786242 461897405 /nfs/dbraw/zinc/89/74/05/461897405.db2.gz QRCZGHPMDAGHEI-IBGZPJMESA-N 2 0 338.499 3.392 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000650706501 461899829 /nfs/dbraw/zinc/89/98/29/461899829.db2.gz LYVXZKVXDKINLV-CRFBAAHOSA-N 2 0 332.419 3.290 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc(-c4ccco4)n3)C2)C1 ZINC000650706161 461900105 /nfs/dbraw/zinc/90/01/05/461900105.db2.gz FMVMQWIBEWWBGE-VBQJREDUSA-N 2 0 347.484 3.121 20 0 EGADRP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706324 461900245 /nfs/dbraw/zinc/90/02/45/461900245.db2.gz IUCMASZUXZZYJQ-LZWOXQAQSA-N 2 0 337.533 3.159 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000650706816 461900438 /nfs/dbraw/zinc/90/04/38/461900438.db2.gz SXMNVZVPWDEKHM-ZMSDIMECSA-N 2 0 340.414 3.006 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000650706503 461900514 /nfs/dbraw/zinc/90/05/14/461900514.db2.gz LYVXZKVXDKINLV-URKNILKWSA-N 2 0 332.419 3.290 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666999414 461905735 /nfs/dbraw/zinc/90/57/35/461905735.db2.gz FKDIWHQXXWEIKX-ZDUSSCGKSA-N 2 0 339.277 3.222 20 0 EGADRP [NH3+]Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000650717573 461910027 /nfs/dbraw/zinc/91/00/27/461910027.db2.gz FYFXGGFCFWABDU-UHFFFAOYSA-N 2 0 327.447 3.039 20 0 EGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965114 461910078 /nfs/dbraw/zinc/91/00/78/461910078.db2.gz HEPOCSUPUSGJFD-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722231 461914199 /nfs/dbraw/zinc/91/41/99/461914199.db2.gz NRTPMRGUXRYASW-JFIYKMOQSA-N 2 0 338.879 3.209 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000650721997 461914409 /nfs/dbraw/zinc/91/44/09/461914409.db2.gz HZPONRVUERFBEY-QYZOEREBSA-N 2 0 325.456 3.096 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000650723902 461915779 /nfs/dbraw/zinc/91/57/79/461915779.db2.gz VRCNEKOUQPZEDR-QRQLOZEOSA-N 2 0 341.455 3.202 20 0 EGADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974936 461917113 /nfs/dbraw/zinc/91/71/13/461917113.db2.gz CEYWQMKKRMIIKG-RBUKOAKNSA-N 2 0 343.515 3.140 20 0 EGADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976310 461918346 /nfs/dbraw/zinc/91/83/46/461918346.db2.gz MZOPVUDDQABHNF-OAGGEKHMSA-N 2 0 340.471 3.108 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647976625 461918481 /nfs/dbraw/zinc/91/84/81/461918481.db2.gz RFQPPESCWCSKCH-IPMKNSEASA-N 2 0 343.515 3.342 20 0 EGADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660676376 461919976 /nfs/dbraw/zinc/91/99/76/461919976.db2.gz IYASHJDFODCECS-UYAOXDASSA-N 2 0 330.516 3.395 20 0 EGADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647978890 461920213 /nfs/dbraw/zinc/92/02/13/461920213.db2.gz ZWWPOLOTVKQVBW-UONOGXRCSA-N 2 0 327.394 3.312 20 0 EGADRP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978279 461920508 /nfs/dbraw/zinc/92/05/08/461920508.db2.gz PGVWYYALQCHHPO-ZWKOTPCHSA-N 2 0 340.471 3.257 20 0 EGADRP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978157 461920728 /nfs/dbraw/zinc/92/07/28/461920728.db2.gz NJKUNPZFDWCBMQ-KURKYZTESA-N 2 0 339.487 3.040 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000644562880 461986132 /nfs/dbraw/zinc/98/61/32/461986132.db2.gz FXGQGLXESPVDLM-IERDGZPVSA-N 2 0 326.484 3.063 20 0 EGADRP [NH3+]C1(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)CCC1 ZINC000648153102 461991142 /nfs/dbraw/zinc/99/11/42/461991142.db2.gz HOPGQXFUSFEQQP-UHFFFAOYSA-N 2 0 349.906 3.036 20 0 EGADRP CC[C@H](CC(F)F)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000660835849 461991418 /nfs/dbraw/zinc/99/14/18/461991418.db2.gz ZBEXZHPTMPESAG-MRXNPFEDSA-N 2 0 331.495 3.160 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000667196886 461991685 /nfs/dbraw/zinc/99/16/85/461991685.db2.gz GXCLOKGAJOQHFZ-WMZOPIPTSA-N 2 0 344.503 3.230 20 0 EGADRP NC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000664384024 462040474 /nfs/dbraw/zinc/04/04/74/462040474.db2.gz DLIMMDDMKGYERR-GOSISDBHSA-N 2 0 343.515 3.150 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnc4n3CCC4)c2)CC1 ZINC000657348872 462064535 /nfs/dbraw/zinc/06/45/35/462064535.db2.gz KLKKUVWQKJIOJS-UHFFFAOYSA-N 2 0 338.499 3.351 20 0 EGADRP Cn1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000639728063 462078234 /nfs/dbraw/zinc/07/82/34/462078234.db2.gz ZHGWMHFWPVVCCK-UHFFFAOYSA-N 2 0 338.499 3.298 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000657376149 462080791 /nfs/dbraw/zinc/08/07/91/462080791.db2.gz HFDURIHPKGJBMK-KRWDZBQOSA-N 2 0 334.504 3.312 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639797158 462116520 /nfs/dbraw/zinc/11/65/20/462116520.db2.gz IBLJFAPRMMAPCE-UHFFFAOYSA-N 2 0 333.439 3.204 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000648438596 462119842 /nfs/dbraw/zinc/11/98/42/462119842.db2.gz MSKGNMVIXWMZJV-UXHICEINSA-N 2 0 346.515 3.454 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000667543582 462135620 /nfs/dbraw/zinc/13/56/20/462135620.db2.gz DHGHFCVGRFTMBU-QGZVFWFLSA-N 2 0 334.504 3.264 20 0 EGADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537462 462171641 /nfs/dbraw/zinc/17/16/41/462171641.db2.gz LUCFPVKIRSLDMI-MRXNPFEDSA-N 2 0 334.479 3.237 20 0 EGADRP CCOc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612295 462204162 /nfs/dbraw/zinc/20/41/62/462204162.db2.gz LZFZVPQBRVGQGQ-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP c1cn2c(n1)[C@H](N[C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000648629218 462207133 /nfs/dbraw/zinc/20/71/33/462207133.db2.gz VARITUOJCOFWKU-ZGXWSNOMSA-N 2 0 336.483 3.218 20 0 EGADRP CO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000648742305 462255144 /nfs/dbraw/zinc/25/51/44/462255144.db2.gz BXPWADSJCMGTBX-XLIONFOSSA-N 2 0 332.488 3.018 20 0 EGADRP CO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1(C)C ZINC000648742504 462256743 /nfs/dbraw/zinc/25/67/43/462256743.db2.gz VNEUFTMWIFBDPQ-FQEVSTJZSA-N 2 0 346.515 3.408 20 0 EGADRP FC(F)(F)CCN1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000657813867 462279517 /nfs/dbraw/zinc/27/95/17/462279517.db2.gz CGFPWCMPDHURSV-UHFFFAOYSA-N 2 0 347.469 3.115 20 0 EGADRP Brc1cncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812888 462279946 /nfs/dbraw/zinc/27/99/46/462279946.db2.gz JVKAVURUHHWJPC-UHFFFAOYSA-N 2 0 338.293 3.056 20 0 EGADRP CC(C)c1[nH+]c(CN2CCC(OCC[NH+](C)C)CC2)c2ccccn21 ZINC000651638096 462285236 /nfs/dbraw/zinc/28/52/36/462285236.db2.gz MNAZPBODUXCLBN-UHFFFAOYSA-N 2 0 344.503 3.000 20 0 EGADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000667850801 462292744 /nfs/dbraw/zinc/29/27/44/462292744.db2.gz SQAYRPYNGBMKOB-UHFFFAOYSA-N 2 0 344.503 3.456 20 0 EGADRP CCc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000651663524 462294875 /nfs/dbraw/zinc/29/48/75/462294875.db2.gz NVGWEMRMRIHIQC-UHFFFAOYSA-N 2 0 338.495 3.496 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648872478 462313902 /nfs/dbraw/zinc/31/39/02/462313902.db2.gz ZEEVINGFFRJTQN-FQEVSTJZSA-N 2 0 345.531 3.076 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651758894 462327443 /nfs/dbraw/zinc/32/74/43/462327443.db2.gz ROQNEXOUCWBZRA-NRFANRHFSA-N 2 0 336.479 3.032 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254623 462370712 /nfs/dbraw/zinc/37/07/12/462370712.db2.gz VPOZEQWYPZSLDC-XWPNQZOQSA-N 2 0 333.495 3.172 20 0 EGADRP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658091089 462380756 /nfs/dbraw/zinc/38/07/56/462380756.db2.gz KXSPKZHNVCTROC-SXLOBPIMSA-N 2 0 329.532 3.359 20 0 EGADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000658168087 462417020 /nfs/dbraw/zinc/41/70/20/462417020.db2.gz VPDZVRYKEDGVFV-XUVXKRRUSA-N 2 0 343.515 3.087 20 0 EGADRP CC(C)([NH3+])CCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000649291618 462469035 /nfs/dbraw/zinc/46/90/35/462469035.db2.gz FDQQXIJDXWXQLU-MRXNPFEDSA-N 2 0 337.895 3.111 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649294975 462469300 /nfs/dbraw/zinc/46/93/00/462469300.db2.gz ZYVXHIOEPBZEEQ-PBHICJAKSA-N 2 0 337.895 3.111 20 0 EGADRP CC(C)([NH3+])CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000649310930 462476075 /nfs/dbraw/zinc/47/60/75/462476075.db2.gz OKUMDWSOAAWGDV-UHFFFAOYSA-N 2 0 331.504 3.196 20 0 EGADRP Cc1cc2ncc([C@H](C)[NH2+]CC3CC[NH+](CC4CC4)CC3)c(C)n2n1 ZINC000658354675 462486950 /nfs/dbraw/zinc/48/69/50/462486950.db2.gz FSJWUSNWPXJDFY-HNNXBMFYSA-N 2 0 341.503 3.119 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000658355661 462487951 /nfs/dbraw/zinc/48/79/51/462487951.db2.gz DSOBYEYSLSKIJD-MRXNPFEDSA-N 2 0 339.487 3.040 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC[N@@H+]1C ZINC000159271816 533955469 /nfs/dbraw/zinc/95/54/69/533955469.db2.gz WDWYYRAJZJADEX-RHSMWYFYSA-N 2 0 327.428 3.104 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2s1)CN1CC[NH+](C)CC1 ZINC000187956003 534077699 /nfs/dbraw/zinc/07/76/99/534077699.db2.gz HHRMGJGVAUUZAR-HOTGVXAUSA-N 2 0 331.529 3.435 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000174344209 534257089 /nfs/dbraw/zinc/25/70/89/534257089.db2.gz ISDMWODFKGHLJF-MJGOQNOKSA-N 2 0 346.515 3.454 20 0 EGADRP COC(=O)c1oc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000181191108 534379572 /nfs/dbraw/zinc/37/95/72/534379572.db2.gz RFNPDSPMSHZMAJ-HNNXBMFYSA-N 2 0 336.476 3.489 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154464988 534447120 /nfs/dbraw/zinc/44/71/20/534447120.db2.gz CSKYOCFEHLBGTE-VCBZYWHSSA-N 2 0 326.488 3.119 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000181935297 534670976 /nfs/dbraw/zinc/67/09/76/534670976.db2.gz CWQAHXVEKGHKPO-KRWDZBQOSA-N 2 0 325.456 3.010 20 0 EGADRP CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000132416867 528222422 /nfs/dbraw/zinc/22/24/22/528222422.db2.gz AXMZNZPZCAHECT-SFTDATJTSA-N 2 0 347.547 3.398 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)cc1 ZINC000154541693 528595080 /nfs/dbraw/zinc/59/50/80/528595080.db2.gz YGKREKIEZNMSDJ-GOSISDBHSA-N 2 0 333.520 3.154 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000191609419 529040930 /nfs/dbraw/zinc/04/09/30/529040930.db2.gz AFJNKBLOBMVVGZ-OAHLLOKOSA-N 2 0 325.447 3.032 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc21 ZINC000178469801 529138806 /nfs/dbraw/zinc/13/88/06/529138806.db2.gz DJVQLWZJIYVJCP-OXQOHEQNSA-N 2 0 328.500 3.500 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000154454198 529144081 /nfs/dbraw/zinc/14/40/81/529144081.db2.gz PRMWGPPGLUXEMJ-DYESRHJHSA-N 2 0 347.522 3.456 20 0 EGADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341176995 535339721 /nfs/dbraw/zinc/33/97/21/535339721.db2.gz SRPVMIDHNSRBDN-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000364267547 535654296 /nfs/dbraw/zinc/65/42/96/535654296.db2.gz ZNSJWCRZLCXLDL-WBVHZDCISA-N 2 0 337.533 3.027 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCOC1 ZINC000358028535 535920782 /nfs/dbraw/zinc/92/07/82/535920782.db2.gz XZWUCMRXFZJXOC-PZBISTMVSA-N 2 0 346.515 3.201 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073643033 546576786 /nfs/dbraw/zinc/57/67/86/546576786.db2.gz HEMMAJJNTHBFJB-OAHLLOKOSA-N 2 0 326.444 3.285 20 0 EGADRP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCO1 ZINC000092407847 546674331 /nfs/dbraw/zinc/67/43/31/546674331.db2.gz YBXFRTFEDIOACA-HXUWFJFHSA-N 2 0 332.488 3.162 20 0 EGADRP CCOC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093419537 546684947 /nfs/dbraw/zinc/68/49/47/546684947.db2.gz JUZAMBWRNPHCCP-HXUWFJFHSA-N 2 0 346.515 3.410 20 0 EGADRP CCN(CC)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000119059693 546702551 /nfs/dbraw/zinc/70/25/51/546702551.db2.gz CLMWLYRTBNEINZ-UTKZUKDTSA-N 2 0 347.547 3.398 20 0 EGADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000125041154 546749864 /nfs/dbraw/zinc/74/98/64/546749864.db2.gz SFCXUPMKJFEPSB-GHTZIAJQSA-N 2 0 329.532 3.452 20 0 EGADRP Cc1cc(C)c(NC(=O)CCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000137413868 546845243 /nfs/dbraw/zinc/84/52/43/546845243.db2.gz JMEZBHMXTNJROW-SFHVURJKSA-N 2 0 331.504 3.214 20 0 EGADRP CCN(CC)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000151731645 546858969 /nfs/dbraw/zinc/85/89/69/546858969.db2.gz LAXTXTTWHCUADT-GHTZIAJQSA-N 2 0 331.548 3.259 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1F ZINC000153733458 546883341 /nfs/dbraw/zinc/88/33/41/546883341.db2.gz UEFXRFSEDNCZKT-CQSZACIVSA-N 2 0 330.451 3.140 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000156777222 546914303 /nfs/dbraw/zinc/91/43/03/546914303.db2.gz JGTGWLHLZHWOJQ-HZPDHXFCSA-N 2 0 329.488 3.194 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000157559814 546921146 /nfs/dbraw/zinc/92/11/46/546921146.db2.gz JRFFIXCAPCPBFY-ZDUSSCGKSA-N 2 0 330.394 3.448 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178378471 547037223 /nfs/dbraw/zinc/03/72/23/547037223.db2.gz IQZRVEVADWELHN-XJKSGUPXSA-N 2 0 326.481 3.309 20 0 EGADRP CCc1cc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)nc(C)n1 ZINC000180434463 547056117 /nfs/dbraw/zinc/05/61/17/547056117.db2.gz YQCXXYVDFOOGFW-HNNXBMFYSA-N 2 0 340.471 3.239 20 0 EGADRP CCCn1nccc1CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310064288 547461660 /nfs/dbraw/zinc/46/16/60/547461660.db2.gz AQYIUGJBHZAOBK-LJQANCHMSA-N 2 0 326.488 3.295 20 0 EGADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC000311863830 547463248 /nfs/dbraw/zinc/46/32/48/547463248.db2.gz VQFDSRCPHMJVPF-UHFFFAOYSA-N 2 0 349.522 3.429 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000324518039 547472928 /nfs/dbraw/zinc/47/29/28/547472928.db2.gz WBHHNEFJOMKXFG-INIZCTEOSA-N 2 0 329.488 3.418 20 0 EGADRP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCC ZINC000339073911 547568052 /nfs/dbraw/zinc/56/80/52/547568052.db2.gz GYYYRIYDPXLUKR-ROUUACIJSA-N 2 0 332.488 3.243 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072647 547568098 /nfs/dbraw/zinc/56/80/98/547568098.db2.gz YHXAFNJHSSXPJX-QMMLZNLJSA-N 2 0 327.516 3.428 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1scnc1C1CC1 ZINC000486967548 547970215 /nfs/dbraw/zinc/97/02/15/547970215.db2.gz HVXIOSIPBWQNES-UHFFFAOYSA-N 2 0 331.485 3.251 20 0 EGADRP COc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1OC(F)F ZINC000675734085 548970056 /nfs/dbraw/zinc/97/00/56/548970056.db2.gz ZLQFASKSUIZKGF-GFCCVEGCSA-N 2 0 328.403 3.117 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742586 548971452 /nfs/dbraw/zinc/97/14/52/548971452.db2.gz SNVKAYCNTPGYIG-CQSZACIVSA-N 2 0 338.565 3.252 20 0 EGADRP OCC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000676413198 549084881 /nfs/dbraw/zinc/08/48/81/549084881.db2.gz PTKXSTGPLBCYQL-UHFFFAOYSA-N 2 0 346.515 3.288 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000678123216 549401998 /nfs/dbraw/zinc/40/19/98/549401998.db2.gz NIWYDFJJAYSICH-HNNXBMFYSA-N 2 0 330.394 3.401 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC(C)(C)O1 ZINC000678214412 549426305 /nfs/dbraw/zinc/42/63/05/549426305.db2.gz UXHVQSDVESHIHR-QGZVFWFLSA-N 2 0 332.488 3.161 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)n1 ZINC000678599161 549528536 /nfs/dbraw/zinc/52/85/36/549528536.db2.gz VTUNXNIPWIPAOA-PWIZWCRZSA-N 2 0 331.504 3.117 20 0 EGADRP CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000679028601 549619763 /nfs/dbraw/zinc/61/97/63/549619763.db2.gz VGMYQZBLTZKERT-UYAOXDASSA-N 2 0 334.504 3.310 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C3CC[NH+](C)CC3)c2)CC1 ZINC000679087482 549632699 /nfs/dbraw/zinc/63/26/99/549632699.db2.gz UPOVFUCNDNMRFA-SFHVURJKSA-N 2 0 344.547 3.359 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679143050 549644040 /nfs/dbraw/zinc/64/40/40/549644040.db2.gz OWVGQXMQGDCXDV-SJLPKXTDSA-N 2 0 333.545 3.438 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000679186909 549652107 /nfs/dbraw/zinc/65/21/07/549652107.db2.gz AMNBQYPYRIRKNO-KRWDZBQOSA-N 2 0 339.483 3.407 20 0 EGADRP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000679393104 549703711 /nfs/dbraw/zinc/70/37/11/549703711.db2.gz FSHQNGQGCCKHEU-MYGLTJDJSA-N 2 0 339.527 3.256 20 0 EGADRP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000679393099 549703770 /nfs/dbraw/zinc/70/37/70/549703770.db2.gz FSHQNGQGCCKHEU-KJJMTIBFSA-N 2 0 339.527 3.256 20 0 EGADRP Cc1ccncc1[C@H](C)[NH2+]CCOCC[NH2+][C@@H](C)c1cnccc1C ZINC000679941481 549793624 /nfs/dbraw/zinc/79/36/24/549793624.db2.gz DOSUVNGTCGSWRZ-ROUUACIJSA-N 2 0 342.487 3.111 20 0 EGADRP CCC[NH+](CCC)CCCc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000680775342 549904880 /nfs/dbraw/zinc/90/48/80/549904880.db2.gz HLBWNMPROAXHSI-ALOPSCKCSA-N 2 0 334.508 3.464 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)CC2 ZINC000684554481 550342172 /nfs/dbraw/zinc/34/21/72/550342172.db2.gz FBEPQVQMJRLJFA-PVARCSIZSA-N 2 0 332.488 3.401 20 0 EGADRP CC[C@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[NH+](CC)CC ZINC000684850627 550376860 /nfs/dbraw/zinc/37/68/60/550376860.db2.gz BTKXSJYOCQFUHL-GOSISDBHSA-N 2 0 326.444 3.306 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000685455675 550418386 /nfs/dbraw/zinc/41/83/86/550418386.db2.gz HSCKSPWALXPVDV-GXRSIYKFSA-N 2 0 341.543 3.217 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000685464421 550420178 /nfs/dbraw/zinc/42/01/78/550420178.db2.gz IAVHVQKENXHLGQ-PMACEKPBSA-N 2 0 346.515 3.266 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000685464423 550420596 /nfs/dbraw/zinc/42/05/96/550420596.db2.gz IAVHVQKENXHLGQ-VQTJNVASSA-N 2 0 346.515 3.266 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000685850671 550448161 /nfs/dbraw/zinc/44/81/61/550448161.db2.gz CVOVWRCELWQDMK-UXHICEINSA-N 2 0 344.499 3.161 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000732276460 575252794 /nfs/dbraw/zinc/25/27/94/575252794.db2.gz KVYYQEXSDJCEBL-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1)C(C)C ZINC000733164398 575311917 /nfs/dbraw/zinc/31/19/17/575311917.db2.gz RMQIYAZGTYHJKO-LJQANCHMSA-N 2 0 333.520 3.233 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1)C(C)C ZINC000733164397 575311951 /nfs/dbraw/zinc/31/19/51/575311951.db2.gz RMQIYAZGTYHJKO-IBGZPJMESA-N 2 0 333.520 3.233 20 0 EGADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(F)cc1 ZINC000057888674 1291868334 /nfs/dbraw/zinc/86/83/34/1291868334.db2.gz MARGCDBUYQYRNO-FQEVSTJZSA-N 2 0 334.479 3.447 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C)cc2)CC1 ZINC000061070327 1291959056 /nfs/dbraw/zinc/95/90/56/1291959056.db2.gz HXVMOCPGGNPEED-UHFFFAOYSA-N 2 0 337.511 3.422 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccccc2OC(F)F)C[C@H](C)O1 ZINC000062253055 1291984623 /nfs/dbraw/zinc/98/46/23/1291984623.db2.gz FNJIFUNBEUMSBK-GJZGRUSLSA-N 2 0 342.430 3.267 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccccc2OC(F)F)C[C@H](C)O1 ZINC000067452946 1292161257 /nfs/dbraw/zinc/16/12/57/1292161257.db2.gz FNJIFUNBEUMSBK-GASCZTMLSA-N 2 0 342.430 3.267 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000069171288 1292234641 /nfs/dbraw/zinc/23/46/41/1292234641.db2.gz CGUJZVMSOVDVBI-HXUWFJFHSA-N 2 0 343.902 3.418 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000069672844 1292248012 /nfs/dbraw/zinc/24/80/12/1292248012.db2.gz IWSRJSBUBISVAL-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863695 1292390384 /nfs/dbraw/zinc/39/03/84/1292390384.db2.gz ORUILZOHLPYZPN-UYAOXDASSA-N 2 0 335.536 3.055 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000075771598 1292410669 /nfs/dbraw/zinc/41/06/69/1292410669.db2.gz NNDWHSBHZLNKOE-UHFFFAOYSA-N 2 0 337.511 3.469 20 0 EGADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cnn1C ZINC000075783743 1292411580 /nfs/dbraw/zinc/41/15/80/1292411580.db2.gz NMVLFXCWYOQQAI-MRXNPFEDSA-N 2 0 342.487 3.054 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000088727090 1292755259 /nfs/dbraw/zinc/75/52/59/1292755259.db2.gz WSUYLVBMILJFBK-HXUWFJFHSA-N 2 0 330.516 3.476 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000090117551 1292789127 /nfs/dbraw/zinc/78/91/27/1292789127.db2.gz BBYRSHXGWMFWDC-OAHLLOKOSA-N 2 0 341.430 3.489 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000105457167 1293036458 /nfs/dbraw/zinc/03/64/58/1293036458.db2.gz QCFLBYIMZYSJSU-HNNXBMFYSA-N 2 0 330.451 3.426 20 0 EGADRP C[C@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)N1CC[NH+](C)CC1 ZINC000105465301 1293039142 /nfs/dbraw/zinc/03/91/42/1293039142.db2.gz PZJXSZPDPHXBCS-MRXNPFEDSA-N 2 0 329.513 3.141 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000109068627 1293086713 /nfs/dbraw/zinc/08/67/13/1293086713.db2.gz WFFKJEMMOPIWMX-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP CCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000112096554 1293117234 /nfs/dbraw/zinc/11/72/34/1293117234.db2.gz WFFLVJXXNKQQQM-QGZVFWFLSA-N 2 0 326.488 3.425 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000834911036 1293174394 /nfs/dbraw/zinc/17/43/94/1293174394.db2.gz XCKDRTWFDSMTQU-MRXNPFEDSA-N 2 0 329.488 3.338 20 0 EGADRP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000120998151 1293351112 /nfs/dbraw/zinc/35/11/12/1293351112.db2.gz ULLXYIVOVFVXLS-HZPDHXFCSA-N 2 0 326.488 3.486 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000125446359 1293507742 /nfs/dbraw/zinc/50/77/42/1293507742.db2.gz VGABWMYUCDEAKJ-QUCCMNQESA-N 2 0 332.488 3.066 20 0 EGADRP C[C@@H]1CC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000128967900 1293609770 /nfs/dbraw/zinc/60/97/70/1293609770.db2.gz JLYXGXAXQPZBDZ-IAGOWNOFSA-N 2 0 332.488 3.207 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132850980 1293729996 /nfs/dbraw/zinc/72/99/96/1293729996.db2.gz PCXGGWWCLUTSNP-IEBWSBKVSA-N 2 0 346.515 3.107 20 0 EGADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000153718543 1294026567 /nfs/dbraw/zinc/02/65/67/1294026567.db2.gz VJZQDLMRYRHLCH-UXHICEINSA-N 2 0 346.515 3.289 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnc4cnccn34)c2)CC1 ZINC000156771701 1294159495 /nfs/dbraw/zinc/15/94/95/1294159495.db2.gz JKPADHHXOZRRPE-UHFFFAOYSA-N 2 0 349.482 3.251 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000157488762 1294179507 /nfs/dbraw/zinc/17/95/07/1294179507.db2.gz LUJNHDPJNWPPQK-CQSZACIVSA-N 2 0 336.373 3.291 20 0 EGADRP C[NH+](C)C1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC1 ZINC000158871366 1294218857 /nfs/dbraw/zinc/21/88/57/1294218857.db2.gz CMHBOSNWPTWJRM-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000160186852 1294262401 /nfs/dbraw/zinc/26/24/01/1294262401.db2.gz XYRSQHLYKWRYLP-IRXDYDNUSA-N 2 0 340.515 3.496 20 0 EGADRP CC(C)C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)N(C)C ZINC000177550752 1294676631 /nfs/dbraw/zinc/67/66/31/1294676631.db2.gz MMVXJHBFBMEDBB-KRWDZBQOSA-N 2 0 341.540 3.199 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCn2ccnc2)ccc1OC ZINC000182217939 1295027978 /nfs/dbraw/zinc/02/79/78/1295027978.db2.gz MWJLTBSDSRGLKZ-INIZCTEOSA-N 2 0 330.476 3.084 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCCCO)cc1C[NH+]1CCCCC1 ZINC000192925829 1295814259 /nfs/dbraw/zinc/81/42/59/1295814259.db2.gz KSHRIEVAGHESFG-QGZVFWFLSA-N 2 0 334.504 3.494 20 0 EGADRP O=C(CC[NH2+]CC1CC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000870875425 1296126218 /nfs/dbraw/zinc/12/62/18/1296126218.db2.gz BZAAPELCWFLBQZ-UHFFFAOYSA-N 2 0 343.515 3.069 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000870963113 1296157642 /nfs/dbraw/zinc/15/76/42/1296157642.db2.gz HYCRZCWZXIAIKL-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CCCCC[NH3+])CC1 ZINC000236714208 1296199467 /nfs/dbraw/zinc/19/94/67/1296199467.db2.gz PDWQVTKWZVWPSS-UHFFFAOYSA-N 2 0 331.504 3.054 20 0 EGADRP CCCC1CCC([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000236806963 1296204302 /nfs/dbraw/zinc/20/43/02/1296204302.db2.gz SAKDDGNHJAHPBQ-UHFFFAOYSA-N 2 0 330.520 3.282 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(CC(C)C)cc2)CC1 ZINC000236883337 1296209984 /nfs/dbraw/zinc/20/99/84/1296209984.db2.gz WSSVSWIILGTSFN-IBGZPJMESA-N 2 0 331.548 3.248 20 0 EGADRP C[C@H]1C[C@@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000237535337 1296250231 /nfs/dbraw/zinc/25/02/31/1296250231.db2.gz UUIFRTSUGGDXND-PKOBYXMFSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237673980 1296255938 /nfs/dbraw/zinc/25/59/38/1296255938.db2.gz QYWNGIRARDUGMZ-PWIZWCRZSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)nc1 ZINC000245584723 1296317107 /nfs/dbraw/zinc/31/71/07/1296317107.db2.gz DAZMZEUSIFWSKV-RBSFLKMASA-N 2 0 325.884 3.275 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000250024399 1296453844 /nfs/dbraw/zinc/45/38/44/1296453844.db2.gz RMNMYDIEPZBVTJ-MISYRCLQSA-N 2 0 343.515 3.203 20 0 EGADRP c1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538135 1296593065 /nfs/dbraw/zinc/59/30/65/1296593065.db2.gz FLMVYEGTOHRYBY-PCCBWWKXSA-N 2 0 327.516 3.161 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262108719 1296618208 /nfs/dbraw/zinc/61/82/08/1296618208.db2.gz KDVAZRODTBLYRR-HXUWFJFHSA-N 2 0 332.488 3.066 20 0 EGADRP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000262232441 1296623327 /nfs/dbraw/zinc/62/33/27/1296623327.db2.gz OBTJSXUGVMYSGN-HSALFYBXSA-N 2 0 341.499 3.214 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@@H](n2cncn2)C1 ZINC000283887786 1296732800 /nfs/dbraw/zinc/73/28/00/1296732800.db2.gz CKBAJHUMGIRZOO-HOJAQTOUSA-N 2 0 341.503 3.120 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(C(F)(F)F)co3)C2)C1 ZINC000872145653 1296766609 /nfs/dbraw/zinc/76/66/09/1296766609.db2.gz VWIOQYDXWWGASW-KYOSRNDESA-N 2 0 332.366 3.017 20 0 EGADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156491 1296775229 /nfs/dbraw/zinc/77/52/29/1296775229.db2.gz KEGBNPALZUZOEB-AOIWGVFYSA-N 2 0 335.536 3.007 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000872223394 1296829049 /nfs/dbraw/zinc/82/90/49/1296829049.db2.gz QYZXIRVYGIFECV-SFHVURJKSA-N 2 0 326.431 3.098 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000872223393 1296829649 /nfs/dbraw/zinc/82/96/49/1296829649.db2.gz QYZXIRVYGIFECV-GOSISDBHSA-N 2 0 326.431 3.098 20 0 EGADRP [NH3+]Cc1cc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000872288948 1296899876 /nfs/dbraw/zinc/89/98/76/1296899876.db2.gz UWRPGXCSXMHOPV-KGLIPLIRSA-N 2 0 329.366 3.010 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000304693633 1296935735 /nfs/dbraw/zinc/93/57/35/1296935735.db2.gz DSTMRSFLPKFLLQ-UHFFFAOYSA-N 2 0 330.497 3.303 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000305768489 1297047793 /nfs/dbraw/zinc/04/77/93/1297047793.db2.gz KUWBPPBHHZTTQM-RCBQFDQVSA-N 2 0 330.394 3.059 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000310191952 1297093091 /nfs/dbraw/zinc/09/30/91/1297093091.db2.gz QGEUZGOWLNEUHI-NQIIRXRSSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@@]1(C[NH2+]C[C@H](O)c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000310889662 1297103622 /nfs/dbraw/zinc/10/36/22/1297103622.db2.gz KGKMGQHAXCCULC-SFTDATJTSA-N 2 0 342.458 3.361 20 0 EGADRP C[C@]1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000311229006 1297105731 /nfs/dbraw/zinc/10/57/31/1297105731.db2.gz YXRQHUDEEZLLPV-DXBBTUNJSA-N 2 0 341.543 3.409 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[C@@H](n2cncn2)C1 ZINC000340186420 1297310158 /nfs/dbraw/zinc/31/01/58/1297310158.db2.gz QYRAOQKIHLTFJF-XWSJACJDSA-N 2 0 333.524 3.252 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H](n2cncn2)C1 ZINC000340260217 1297310507 /nfs/dbraw/zinc/31/05/07/1297310507.db2.gz QEBBJLVOYADVQW-ATZDWAIDSA-N 2 0 331.508 3.004 20 0 EGADRP OCCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000873205564 1297350564 /nfs/dbraw/zinc/35/05/64/1297350564.db2.gz PDFIIIVVSGRZRA-LJQANCHMSA-N 2 0 342.508 3.266 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000873250379 1297391354 /nfs/dbraw/zinc/39/13/54/1297391354.db2.gz GXCUEEBXENDLOE-PEYYIBSZSA-N 2 0 335.245 3.458 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000873256820 1297392488 /nfs/dbraw/zinc/39/24/88/1297392488.db2.gz OSZSBTHZNZJQPD-FMSQNYNMSA-N 2 0 327.241 3.366 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000873287555 1297411414 /nfs/dbraw/zinc/41/14/14/1297411414.db2.gz GCOVFOCNILCQKV-CQSZACIVSA-N 2 0 331.435 3.199 20 0 EGADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290227 1297412931 /nfs/dbraw/zinc/41/29/31/1297412931.db2.gz BSHXFMRYFATTCX-QYZOEREBSA-N 2 0 332.463 3.210 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291702 1297414090 /nfs/dbraw/zinc/41/40/90/1297414090.db2.gz ICGQOYAGPVUIOV-LPHOPBHVSA-N 2 0 344.499 3.166 20 0 EGADRP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378878435 1297524562 /nfs/dbraw/zinc/52/45/62/1297524562.db2.gz CSUDIXSQZZOJFJ-ZACQAIPSSA-N 2 0 339.524 3.142 20 0 EGADRP Clc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc2c1OCCCO2 ZINC000378966104 1297531523 /nfs/dbraw/zinc/53/15/23/1297531523.db2.gz ZZFRMAPSEHKDKE-CYBMUJFWSA-N 2 0 336.863 3.075 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000379616589 1297534401 /nfs/dbraw/zinc/53/44/01/1297534401.db2.gz CPKPLIQMBQKDSY-OXQOHEQNSA-N 2 0 330.447 3.359 20 0 EGADRP C[C@@H](CC[NH2+][C@H]1CCOC2(CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000379637660 1297535361 /nfs/dbraw/zinc/53/53/61/1297535361.db2.gz SXIPTHOKEBULOX-ICSRJNTNSA-N 2 0 346.515 3.215 20 0 EGADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323600 1297728921 /nfs/dbraw/zinc/72/89/21/1297728921.db2.gz AQMAABTYBHMQFX-CVEARBPZSA-N 2 0 341.540 3.340 20 0 EGADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559346 1297731795 /nfs/dbraw/zinc/73/17/95/1297731795.db2.gz HIUQLNUCYYRZKF-PMPSAXMXSA-N 2 0 327.513 3.093 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C)[C@H](C)[NH3+] ZINC000404373748 1297751002 /nfs/dbraw/zinc/75/10/02/1297751002.db2.gz SKNPELMXKVGMEJ-JNIAIEOXSA-N 2 0 345.531 3.116 20 0 EGADRP CO[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000453204789 1297893211 /nfs/dbraw/zinc/89/32/11/1297893211.db2.gz DFLWSRMQJHFWOA-PMACEKPBSA-N 2 0 344.499 3.207 20 0 EGADRP COC(=O)[C@@H](C)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000691876229 1298139704 /nfs/dbraw/zinc/13/97/04/1298139704.db2.gz PISSLKHKIQCQQZ-SFHVURJKSA-N 2 0 344.499 3.174 20 0 EGADRP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000699595033 1298170710 /nfs/dbraw/zinc/17/07/10/1298170710.db2.gz NFRZQHOCXSBPNZ-JKSUJKDBSA-N 2 0 337.508 3.040 20 0 EGADRP O[C@@H](CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000705878313 1298216137 /nfs/dbraw/zinc/21/61/37/1298216137.db2.gz MGBOMIQLSGKRJV-BDTNDASRSA-N 2 0 336.479 3.174 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000708522874 1298240973 /nfs/dbraw/zinc/24/09/73/1298240973.db2.gz YFRBMEASWZHOLG-HKUYNNGSSA-N 2 0 344.499 3.030 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724043652 1298345444 /nfs/dbraw/zinc/34/54/44/1298345444.db2.gz BSUQMECGRPIFAQ-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000877684665 1299478266 /nfs/dbraw/zinc/47/82/66/1299478266.db2.gz SGZXQGKBFLXTIH-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP COC(=O)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754462303 1300148904 /nfs/dbraw/zinc/14/89/04/1300148904.db2.gz FAHGKDPYTIDTMX-APWZRJJASA-N 2 0 344.499 3.145 20 0 EGADRP CC[NH+](CC)CCCN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064276 1300277269 /nfs/dbraw/zinc/27/72/69/1300277269.db2.gz KKUZOBWNFKNNED-IRXDYDNUSA-N 2 0 341.540 3.344 20 0 EGADRP Cc1cc2ncn(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c2cc1C ZINC000755778412 1300394801 /nfs/dbraw/zinc/39/48/01/1300394801.db2.gz MDMUKYQIXTWVCV-SFHVURJKSA-N 2 0 326.488 3.274 20 0 EGADRP Cc1ccc(-c2nnc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)o2)cc1 ZINC000879247484 1300451602 /nfs/dbraw/zinc/45/16/02/1300451602.db2.gz BRIXPVPBCFHJMI-UHFFFAOYSA-N 2 0 340.471 3.353 20 0 EGADRP COCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000879710930 1300690211 /nfs/dbraw/zinc/69/02/11/1300690211.db2.gz RGMKETNRNCZSGB-UHFFFAOYSA-N 2 0 346.515 3.300 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759125931 1301019680 /nfs/dbraw/zinc/01/96/80/1301019680.db2.gz MMGJUKGIRFZQIK-INIZCTEOSA-N 2 0 331.287 3.300 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1)NC(=O)OC(C)(C)C ZINC000760895986 1301359964 /nfs/dbraw/zinc/35/99/64/1301359964.db2.gz BXWOUNJTWNYESZ-JKSUJKDBSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765351689 1302251831 /nfs/dbraw/zinc/25/18/31/1302251831.db2.gz SFRWRPVSHIKKEV-GJZGRUSLSA-N 2 0 331.460 3.024 20 0 EGADRP COc1ccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000765507678 1302274987 /nfs/dbraw/zinc/27/49/87/1302274987.db2.gz VCQJDDMQIMVMLR-HNNXBMFYSA-N 2 0 341.455 3.156 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000765680523 1302305272 /nfs/dbraw/zinc/30/52/72/1302305272.db2.gz DNLWMNRTDRIVAN-HKUYNNGSSA-N 2 0 349.588 3.485 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2F)[C@H](C)C1 ZINC000765872081 1302343306 /nfs/dbraw/zinc/34/33/06/1302343306.db2.gz UPEDCDHGCMGOFV-MLGOLLRUSA-N 2 0 343.284 3.451 20 0 EGADRP COC[C@@H](Cc1ccccc1)[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000883387135 1302425811 /nfs/dbraw/zinc/42/58/11/1302425811.db2.gz SCLUKZABQUXNLD-NHCUHLMSSA-N 2 0 335.451 3.472 20 0 EGADRP COC(=O)CC1CCC([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000883387742 1302426069 /nfs/dbraw/zinc/42/60/69/1302426069.db2.gz DGISMVKXURWLRN-KVZIAJEVSA-N 2 0 341.455 3.336 20 0 EGADRP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000884387593 1302836734 /nfs/dbraw/zinc/83/67/34/1302836734.db2.gz YCEPASJGBDWCBZ-KRWDZBQOSA-N 2 0 347.528 3.059 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000769682846 1303157175 /nfs/dbraw/zinc/15/71/75/1303157175.db2.gz BGLNFLZBCSJLDD-LTIDMASMSA-N 2 0 341.540 3.388 20 0 EGADRP CCc1noc(C)c1[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000769871265 1303185889 /nfs/dbraw/zinc/18/58/89/1303185889.db2.gz FXBORVRRWYDKDO-HNNXBMFYSA-N 2 0 345.487 3.379 20 0 EGADRP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000771509119 1303415460 /nfs/dbraw/zinc/41/54/60/1303415460.db2.gz PKBNXZIVOISSPV-YLJYHZDGSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](CC[C@H]1CCCO1)[C@H]1CC[C@H]([N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000886389822 1303453627 /nfs/dbraw/zinc/45/36/27/1303453627.db2.gz ZAUQPYOQCAEBJL-UAFMIMERSA-N 2 0 338.536 3.299 20 0 EGADRP C[NH+](CC[C@@H]1CCCO1)[C@H]1CC[C@H]([N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000886389820 1303454461 /nfs/dbraw/zinc/45/44/61/1303454461.db2.gz ZAUQPYOQCAEBJL-HKJRMUSSSA-N 2 0 338.536 3.299 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886557277 1303499543 /nfs/dbraw/zinc/49/95/43/1303499543.db2.gz XLJQADHZXKLGOK-UHFFFAOYSA-N 2 0 332.536 3.432 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)Cc1ccccc1 ZINC000775367077 1303947071 /nfs/dbraw/zinc/94/70/71/1303947071.db2.gz VUVMKAZUSDLENF-FGTMMUONSA-N 2 0 336.570 3.478 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C)cc1C[NH+]1CCCCC1 ZINC000775386741 1303952192 /nfs/dbraw/zinc/95/21/92/1303952192.db2.gz UBPGYQNHQSAFES-SJORKVTESA-N 2 0 333.520 3.282 20 0 EGADRP C[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC[N@@H+]1C ZINC000777675979 1304333325 /nfs/dbraw/zinc/33/33/25/1304333325.db2.gz RIWRTEOZBXQORA-DOTOQJQBSA-N 2 0 348.510 3.251 20 0 EGADRP CC[NH+](CC)CCN(CCOC)c1cc[nH+]c2cc(OC)ccc21 ZINC000784264793 1305217681 /nfs/dbraw/zinc/21/76/81/1305217681.db2.gz INMVNXGBYNJFRJ-UHFFFAOYSA-N 2 0 331.460 3.038 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(O)cc(Cl)c2)cc1 ZINC000892611148 1305468915 /nfs/dbraw/zinc/46/89/15/1305468915.db2.gz RAOVKXWCWDRIDR-UHFFFAOYSA-N 2 0 334.847 3.276 20 0 EGADRP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893412268 1305882411 /nfs/dbraw/zinc/88/24/11/1305882411.db2.gz LQZGQRUOSCWLNV-QFBILLFUSA-N 2 0 326.488 3.212 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2ccncc2OCc2ccccc2)CC1 ZINC000894391643 1308852636 /nfs/dbraw/zinc/85/26/36/1308852636.db2.gz UPJWAGBYZZDPHB-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cc(F)c(F)cc2Br)CC1 ZINC000894426986 1308874109 /nfs/dbraw/zinc/87/41/09/1308874109.db2.gz DIVVCJZZOKNUAD-UHFFFAOYSA-N 2 0 333.220 3.159 20 0 EGADRP Cc1nc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)sc1C ZINC000895347068 1309292004 /nfs/dbraw/zinc/29/20/04/1309292004.db2.gz BQXPKRQDDNLKFP-UHFFFAOYSA-N 2 0 330.501 3.157 20 0 EGADRP CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000793330454 1309349279 /nfs/dbraw/zinc/34/92/79/1309349279.db2.gz IZPPVQMYOSGHNC-ROUUACIJSA-N 2 0 349.519 3.160 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895693990 1309469818 /nfs/dbraw/zinc/46/98/18/1309469818.db2.gz OMOOGXYVVMEUMT-APWZRJJASA-N 2 0 338.499 3.155 20 0 EGADRP CCC(CC)[C@H](C[NH2+]CC1CCC2(CC1)OCCO2)[NH+]1CCCC1 ZINC000795895187 1309855461 /nfs/dbraw/zinc/85/54/61/1309855461.db2.gz VODXLIBIWOXICV-IBGZPJMESA-N 2 0 338.536 3.410 20 0 EGADRP Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000796479670 1310010899 /nfs/dbraw/zinc/01/08/99/1310010899.db2.gz BBUBUNMKDSAHCQ-LAUBAEHRSA-N 2 0 342.483 3.147 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2COC(C)(C)OC2)CC1 ZINC000796933282 1310111718 /nfs/dbraw/zinc/11/17/18/1310111718.db2.gz DJKNEYUPFUWHDX-UHFFFAOYSA-N 2 0 332.488 3.171 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](CCCCO)CC2)c1C ZINC000798393476 1310354333 /nfs/dbraw/zinc/35/43/33/1310354333.db2.gz AQZHBCBFPMVYLJ-UHFFFAOYSA-N 2 0 327.472 3.000 20 0 EGADRP CC[C@@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000798526290 1310383041 /nfs/dbraw/zinc/38/30/41/1310383041.db2.gz CCWLZARXIKRVPK-FPOVZHCZSA-N 2 0 345.531 3.135 20 0 EGADRP CCOc1ccc(OCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799179113 1310499810 /nfs/dbraw/zinc/49/98/10/1310499810.db2.gz CPMWLNLOSTXWFB-UHFFFAOYSA-N 2 0 332.488 3.272 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000800475167 1310764784 /nfs/dbraw/zinc/76/47/84/1310764784.db2.gz UPDCTOSHUHTDOD-FQEVSTJZSA-N 2 0 328.500 3.447 20 0 EGADRP C[C@@]1(C[NH2+][C@H]2CCC23CCOCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000800490741 1310767860 /nfs/dbraw/zinc/76/78/60/1310767860.db2.gz JPCUWFYQGRZKEJ-PMACEKPBSA-N 2 0 328.500 3.447 20 0 EGADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000899204730 1310979112 /nfs/dbraw/zinc/97/91/12/1310979112.db2.gz FYMZHIWKHGRPLO-IBGZPJMESA-N 2 0 347.547 3.260 20 0 EGADRP Cc1c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000839183058 1320889142 /nfs/dbraw/zinc/88/91/42/1320889142.db2.gz SNGZBQJTTQXZBP-OAHLLOKOSA-N 2 0 332.517 3.438 20 0 EGADRP CC(C)(C)SCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000801940289 1316969905 /nfs/dbraw/zinc/96/99/05/1316969905.db2.gz ZJPWZVFXXLDQRK-UHFFFAOYSA-N 2 0 328.566 3.343 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001018971758 1316991158 /nfs/dbraw/zinc/99/11/58/1316991158.db2.gz RHYUCUNDCQORAT-PBHICJAKSA-N 2 0 349.906 3.076 20 0 EGADRP [NH3+]C[C@H](CO)Cc1cc(-c2ccccc2C[NH+]2CCCC2)ccc1F ZINC000899324943 1316992553 /nfs/dbraw/zinc/99/25/53/1316992553.db2.gz SFILPDMSILCAEX-MRXNPFEDSA-N 2 0 342.458 3.198 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019094924 1317041427 /nfs/dbraw/zinc/04/14/27/1317041427.db2.gz SNXDOQMOTXNSHO-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1C[NH+](CCCC2CCC2)C1 ZINC000957076827 1317174799 /nfs/dbraw/zinc/17/47/99/1317174799.db2.gz GMJMWPUYSMCIPW-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC000957279208 1317257641 /nfs/dbraw/zinc/25/76/41/1317257641.db2.gz UEBQDEPGTABMAX-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019468018 1317262650 /nfs/dbraw/zinc/26/26/50/1317262650.db2.gz CEQKMTBNKQYJFC-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019468535 1317263979 /nfs/dbraw/zinc/26/39/79/1317263979.db2.gz ZCLOAIDUWUZRLS-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC001019560587 1317290833 /nfs/dbraw/zinc/29/08/33/1317290833.db2.gz NXYRFCWMMOKJTL-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000900466985 1317291571 /nfs/dbraw/zinc/29/15/71/1317291571.db2.gz XXKRKVAGTBTDFR-FDYSRKEFSA-N 2 0 335.536 3.164 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900530160 1317301457 /nfs/dbraw/zinc/30/14/57/1317301457.db2.gz VSTITPNQFXPILS-VQTJNVASSA-N 2 0 343.515 3.114 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C1 ZINC000900713345 1317327136 /nfs/dbraw/zinc/32/71/36/1317327136.db2.gz YZDFLICUVVVFHG-FYQPLNBISA-N 2 0 347.547 3.116 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1CN([C@H](C)c2ccccc2)C1 ZINC000957420112 1317346922 /nfs/dbraw/zinc/34/69/22/1317346922.db2.gz FTBIUEPCKQOBEF-YLJYHZDGSA-N 2 0 343.515 3.155 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1C[NH+](CCC2CCCCC2)C1 ZINC000957424325 1317349069 /nfs/dbraw/zinc/34/90/69/1317349069.db2.gz NZYPYPPYGBLVRG-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001019822954 1317439774 /nfs/dbraw/zinc/43/97/74/1317439774.db2.gz RBYPYXOHHWHUQT-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019820475 1317440272 /nfs/dbraw/zinc/44/02/72/1317440272.db2.gz LOLUDKKFYGODDD-IBGZPJMESA-N 2 0 341.499 3.053 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957555411 1317452321 /nfs/dbraw/zinc/45/23/21/1317452321.db2.gz BJOHEWUAQPNCOZ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957598771 1317487177 /nfs/dbraw/zinc/48/71/77/1317487177.db2.gz LCEOGDSSYYGISM-LJQANCHMSA-N 2 0 349.563 3.243 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957598764 1317487658 /nfs/dbraw/zinc/48/76/58/1317487658.db2.gz KSTWWACNZCWFKL-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](CC)CC2CCC2)CC1 ZINC000957720189 1317586877 /nfs/dbraw/zinc/58/68/77/1317586877.db2.gz IQYIYDFYNLAPPW-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CNc1ccccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000902538841 1317591331 /nfs/dbraw/zinc/59/13/31/1317591331.db2.gz WBKGPNRDGBUYBO-UHFFFAOYSA-N 2 0 339.483 3.491 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1)C(C)C ZINC000957759861 1317625376 /nfs/dbraw/zinc/62/53/76/1317625376.db2.gz FLVIJXRWMOOVON-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP c1nn(-c2ccccc2)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903067423 1317646971 /nfs/dbraw/zinc/64/69/71/1317646971.db2.gz PSMVPLSTFFNFOY-PRJVBOEPSA-N 2 0 336.483 3.162 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)C2 ZINC000903116314 1317655786 /nfs/dbraw/zinc/65/57/86/1317655786.db2.gz GSZJTFFBZMZZRV-OKXHKQLBSA-N 2 0 342.527 3.306 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C2 ZINC000903115488 1317656412 /nfs/dbraw/zinc/65/64/12/1317656412.db2.gz BVGPSAOSTKDDIQ-IQRYMVJYSA-N 2 0 338.442 3.095 20 0 EGADRP Brc1cncc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000903565688 1317708024 /nfs/dbraw/zinc/70/80/24/1317708024.db2.gz BOOZISWBSIOLMC-CZUORRHYSA-N 2 0 338.293 3.371 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001020464024 1317708217 /nfs/dbraw/zinc/70/82/17/1317708217.db2.gz URXVANPTXHGBQA-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC000903723584 1317724855 /nfs/dbraw/zinc/72/48/55/1317724855.db2.gz IVQGYXZQXSJQGH-PXNSSMCTSA-N 2 0 346.515 3.107 20 0 EGADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730386 1317727129 /nfs/dbraw/zinc/72/71/29/1317727129.db2.gz WBVLBAJUAIOTBT-PMACEKPBSA-N 2 0 328.500 3.161 20 0 EGADRP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903739765 1317728572 /nfs/dbraw/zinc/72/85/72/1317728572.db2.gz OYQUGCYXCXFSNT-HUUCEWRRSA-N 2 0 337.533 3.165 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001020502904 1317732366 /nfs/dbraw/zinc/73/23/66/1317732366.db2.gz XBQLSIODICSMGE-BJLQDIEVSA-N 2 0 347.547 3.211 20 0 EGADRP [NH3+]CC1([C@H]2CCCCN2Cc2cn3cc(Cl)ccc3n2)CCC1 ZINC000903814117 1317736818 /nfs/dbraw/zinc/73/68/18/1317736818.db2.gz KEDLWLOWORGQIK-MRXNPFEDSA-N 2 0 332.879 3.471 20 0 EGADRP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913073 1317747124 /nfs/dbraw/zinc/74/71/24/1317747124.db2.gz LEOOYMZUYYYOQQ-DVMWJLJYSA-N 2 0 328.500 3.094 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000903938423 1317751675 /nfs/dbraw/zinc/75/16/75/1317751675.db2.gz AABHBZMKCRGXQJ-HNNXBMFYSA-N 2 0 326.868 3.115 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000903938467 1317751686 /nfs/dbraw/zinc/75/16/86/1317751686.db2.gz BXGGGESBBRWOLV-UHFFFAOYSA-N 2 0 334.895 3.419 20 0 EGADRP CC(C)([NH3+])CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000903938877 1317751927 /nfs/dbraw/zinc/75/19/27/1317751927.db2.gz OFJCLLOIYMAZNX-UHFFFAOYSA-N 2 0 335.455 3.151 20 0 EGADRP C[NH+](C)CCOc1cccc(-c2noc(C[N@H+](C)CC(C)(C)C)n2)c1 ZINC000904005304 1317766806 /nfs/dbraw/zinc/76/68/06/1317766806.db2.gz YFARRMSSHMXPGJ-UHFFFAOYSA-N 2 0 346.475 3.155 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc([C@@H](C)O)s2)CC1 ZINC000809545763 1317829242 /nfs/dbraw/zinc/82/92/42/1317829242.db2.gz IQMJJBUSHKLEDE-CQSZACIVSA-N 2 0 325.522 3.140 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904371544 1317837632 /nfs/dbraw/zinc/83/76/32/1317837632.db2.gz QDFMLLOCPSBHRR-IRXDYDNUSA-N 2 0 342.405 3.482 20 0 EGADRP CC(=O)Nc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000904412318 1317844006 /nfs/dbraw/zinc/84/40/06/1317844006.db2.gz SASYOZLHFMMRPO-GOSISDBHSA-N 2 0 329.488 3.247 20 0 EGADRP CCc1ncc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904476189 1317853308 /nfs/dbraw/zinc/85/33/08/1317853308.db2.gz RYERKYQRECZWDD-QAPCUYQASA-N 2 0 329.469 3.051 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC001021046765 1318059821 /nfs/dbraw/zinc/05/98/21/1318059821.db2.gz YBAKZKNOZMKRFY-BZSNNMDCSA-N 2 0 349.906 3.124 20 0 EGADRP CC1CC[NH+]([C@H](CNc2cc[nH+]c(CO)c2)c2ccccc2)CC1 ZINC000858360603 1328744756 /nfs/dbraw/zinc/74/47/56/1328744756.db2.gz SJCXZLSYVAAOTM-HXUWFJFHSA-N 2 0 325.456 3.459 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCC2)C1 ZINC001021438032 1318250720 /nfs/dbraw/zinc/25/07/20/1318250720.db2.gz NDZGQVZKMONXLX-XUBOLADHSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC000960009308 1318311823 /nfs/dbraw/zinc/31/18/23/1318311823.db2.gz ZKKGZZGXVKSRIU-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)[C@H](C)C1 ZINC000930001787 1328761959 /nfs/dbraw/zinc/76/19/59/1328761959.db2.gz WFHANCGDNFSCKR-OXQOHEQNSA-N 2 0 340.515 3.463 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)C2)CC1 ZINC000960181263 1318396596 /nfs/dbraw/zinc/39/65/96/1318396596.db2.gz CWVNJXLWVDKOGB-QLOJAFMTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960271819 1318437826 /nfs/dbraw/zinc/43/78/26/1318437826.db2.gz VTLDCSHBVHKFET-YFVAEKQCSA-N 2 0 343.515 3.030 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC ZINC000960324171 1318461267 /nfs/dbraw/zinc/46/12/67/1318461267.db2.gz LIFFHYANTZSRAU-VAMGGRTRSA-N 2 0 343.515 3.033 20 0 EGADRP C[N@@H+]1CC[C@H](CNc2cc[nH+]c(CO)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858461377 1328768738 /nfs/dbraw/zinc/76/87/38/1328768738.db2.gz SDBCFKGMBSCOCJ-FZKQIMNGSA-N 2 0 349.837 3.471 20 0 EGADRP COC(=O)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)CC(C)C ZINC000813332596 1318536537 /nfs/dbraw/zinc/53/65/37/1318536537.db2.gz CTGAHMJLKDDCAQ-JENIJYKNSA-N 2 0 338.536 3.454 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739750 1318648122 /nfs/dbraw/zinc/64/81/22/1318648122.db2.gz MWCGOTHSCDPRLH-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C)CC1CCCCC1 ZINC000960686932 1318793347 /nfs/dbraw/zinc/79/33/47/1318793347.db2.gz ZEGAHXSODIGIEF-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)CCn1ccnc1)CC1CCCCCC1 ZINC000960774303 1318874254 /nfs/dbraw/zinc/87/42/54/1318874254.db2.gz IJKFXXFDETVYRQ-LJQANCHMSA-N 2 0 346.519 3.166 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001022291371 1318881795 /nfs/dbraw/zinc/88/17/95/1318881795.db2.gz YKHRHIYYNQAUFJ-OIPACUDHSA-N 2 0 349.906 3.122 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960787529 1318889366 /nfs/dbraw/zinc/88/93/66/1318889366.db2.gz NTJMXKRQFGTKJT-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC1(C)CCC(C[NH2+][C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001022360759 1318905007 /nfs/dbraw/zinc/90/50/07/1318905007.db2.gz GWLOCCWOGBTUFU-HDICACEKSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)[NH+]1CCCCCC1 ZINC000960916766 1319061667 /nfs/dbraw/zinc/06/16/67/1319061667.db2.gz NZCTUKXEXLJDRD-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)[NH+]1CCCCCC1 ZINC000960916764 1319063228 /nfs/dbraw/zinc/06/32/28/1319063228.db2.gz NZCTUKXEXLJDRD-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1 ZINC001022711590 1319079828 /nfs/dbraw/zinc/07/98/28/1319079828.db2.gz BTTJULUDPOIUDZ-AHRSYUTCSA-N 2 0 343.515 3.031 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001022809424 1319119865 /nfs/dbraw/zinc/11/98/65/1319119865.db2.gz LSZRJIQMCDELBQ-ZCNNSNEGSA-N 2 0 343.515 3.106 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001022838528 1319133862 /nfs/dbraw/zinc/13/38/62/1319133862.db2.gz QLXDISYNNBNROU-IYWMVGAKSA-N 2 0 347.547 3.211 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029259 1319152672 /nfs/dbraw/zinc/15/26/72/1319152672.db2.gz UPVNBVCHHJYYTQ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000961031126 1319154415 /nfs/dbraw/zinc/15/44/15/1319154415.db2.gz IYMNMGMNYIJLPY-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000961033368 1319157948 /nfs/dbraw/zinc/15/79/48/1319157948.db2.gz ZDHUEVJIXAXPHV-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1nccn1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000961035068 1319159278 /nfs/dbraw/zinc/15/92/78/1319159278.db2.gz OQRLOWUSSQZYFA-LJQANCHMSA-N 2 0 346.519 3.085 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000816451949 1319159909 /nfs/dbraw/zinc/15/99/09/1319159909.db2.gz UFEKRERXWOOXFM-UZLBHIALSA-N 2 0 349.434 3.402 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022975632 1319198353 /nfs/dbraw/zinc/19/83/53/1319198353.db2.gz PVRPWQDQZGRMPD-HAGHYFMRSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001023084499 1319256214 /nfs/dbraw/zinc/25/62/14/1319256214.db2.gz QQBPTJGRGVVWAS-XLNTUCKNSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001023124254 1319273067 /nfs/dbraw/zinc/27/30/67/1319273067.db2.gz DODTWLYYKISGJC-PBWTXFEYSA-N 2 0 335.536 3.066 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001023130139 1319275426 /nfs/dbraw/zinc/27/54/26/1319275426.db2.gz BIIWBXLJMPZHOV-KDURUIRLSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188695 1319301686 /nfs/dbraw/zinc/30/16/86/1319301686.db2.gz XBWPBMINYUWRMA-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCOC(=O)N[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000817901030 1319455401 /nfs/dbraw/zinc/45/54/01/1319455401.db2.gz SPXBJAOOLNEGPF-XWTMOSNGSA-N 2 0 339.524 3.048 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000817916269 1319460154 /nfs/dbraw/zinc/46/01/54/1319460154.db2.gz DNFQTIMJHSPILW-WBQNTZJQSA-N 2 0 326.843 3.023 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817939699 1319468519 /nfs/dbraw/zinc/46/85/19/1319468519.db2.gz ASNRGYNWQWMYJW-KRWDZBQOSA-N 3 0 345.531 3.331 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c(C)c1OC ZINC000817949526 1319473081 /nfs/dbraw/zinc/47/30/81/1319473081.db2.gz RYBBBGQLMXPGNS-OAHLLOKOSA-N 2 0 328.456 3.364 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817961048 1319478287 /nfs/dbraw/zinc/47/82/87/1319478287.db2.gz TWMUYVXJHPWRMU-YYIAUSFCSA-N 2 0 339.524 3.272 20 0 EGADRP COc1ccc([C@H](C)NC[C@H]([NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817964882 1319479844 /nfs/dbraw/zinc/47/98/44/1319479844.db2.gz IICCKQCCCRWPLE-KXBFYZLASA-N 2 0 331.504 3.069 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817985583 1319487055 /nfs/dbraw/zinc/48/70/55/1319487055.db2.gz FQPFNAGKNZHHCY-DZJNRPSUSA-N 2 0 343.471 3.072 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400147 1319506477 /nfs/dbraw/zinc/50/64/77/1319506477.db2.gz AWBQBMQJCVHKSB-OAHLLOKOSA-N 2 0 337.533 3.052 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023404019 1319512245 /nfs/dbraw/zinc/51/22/45/1319512245.db2.gz PBDNPFIBOBFIJU-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP O=C(NC[C@@H]1CCC[N@H+](CC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001023413714 1319516279 /nfs/dbraw/zinc/51/62/79/1319516279.db2.gz IBIGQZKFHWNBLI-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961372897 1319527847 /nfs/dbraw/zinc/52/78/47/1319527847.db2.gz DXEDBNQKDJDLLG-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000818339687 1319529393 /nfs/dbraw/zinc/52/93/93/1319529393.db2.gz CYRVARMQDGNCHL-INIZCTEOSA-N 2 0 343.515 3.387 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961373592 1319529817 /nfs/dbraw/zinc/52/98/17/1319529817.db2.gz HZGSPLLBTNCEQL-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](CC2CCCCC2)CC1)Nc1cccnc1 ZINC000818984073 1319604702 /nfs/dbraw/zinc/60/47/02/1319604702.db2.gz VXRPLCZCPSAJHL-UHFFFAOYSA-N 2 0 344.503 3.045 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000819182152 1319659187 /nfs/dbraw/zinc/65/91/87/1319659187.db2.gz JIMCTHOHQCCGGW-KDOFPFPSSA-N 2 0 342.886 3.470 20 0 EGADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000819333894 1319701505 /nfs/dbraw/zinc/70/15/05/1319701505.db2.gz SERKFCWJCKPYJR-KRWDZBQOSA-N 2 0 328.859 3.368 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000819360309 1319709417 /nfs/dbraw/zinc/70/94/17/1319709417.db2.gz CGLIPEBUXBXKAU-MRXNPFEDSA-N 2 0 331.287 3.491 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632254 1319753149 /nfs/dbraw/zinc/75/31/49/1319753149.db2.gz IDTKPZURVXEGAS-MOPGFXCFSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(NC1CC(C[NH2+]CC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000961927810 1319775711 /nfs/dbraw/zinc/77/57/11/1319775711.db2.gz VBEKRIKEMUFQBH-AFMYVXGZSA-N 2 0 347.547 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000961993093 1319795646 /nfs/dbraw/zinc/79/56/46/1319795646.db2.gz QELWBTJVUVUXQS-ACBHZAAOSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000822919552 1320137022 /nfs/dbraw/zinc/13/70/22/1320137022.db2.gz JQSSOFIDMXTLOA-HUUCEWRRSA-N 2 0 328.460 3.419 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000823399603 1320175424 /nfs/dbraw/zinc/17/54/24/1320175424.db2.gz KYQSBEADIFOCJD-KRWDZBQOSA-N 2 0 341.540 3.057 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000825042803 1320305960 /nfs/dbraw/zinc/30/59/60/1320305960.db2.gz FEJAATXBYYCZER-OYYMLLPPSA-N 2 0 331.479 3.148 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859112238 1328925455 /nfs/dbraw/zinc/92/54/55/1328925455.db2.gz HGLFEHDCEDIPSQ-UHFFFAOYSA-N 2 0 339.524 3.048 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000840810034 1321154289 /nfs/dbraw/zinc/15/42/89/1321154289.db2.gz NPYGCSBTQUTERW-IAGOWNOFSA-N 2 0 345.487 3.416 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000841076489 1321214676 /nfs/dbraw/zinc/21/46/76/1321214676.db2.gz ZDVJCDPGHZLRCI-JOIKAWEESA-N 2 0 337.467 3.266 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000841083750 1321216307 /nfs/dbraw/zinc/21/63/07/1321216307.db2.gz CUFHEHHGQCPDLI-HOTGVXAUSA-N 2 0 332.879 3.110 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 ZINC000843049470 1321461450 /nfs/dbraw/zinc/46/14/50/1321461450.db2.gz MVWGDFCUSWWURA-UHFFFAOYSA-N 2 0 335.883 3.097 20 0 EGADRP CC[C@@H](C)Oc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000843120163 1321473406 /nfs/dbraw/zinc/47/34/06/1321473406.db2.gz FVLVOYMKEODADV-MRXNPFEDSA-N 2 0 332.488 3.448 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000843129843 1321474360 /nfs/dbraw/zinc/47/43/60/1321474360.db2.gz SAPCZDVSOIHPPK-IRXDYDNUSA-N 2 0 327.472 3.493 20 0 EGADRP CC[N@H+](Cc1ccc(-c2nc(C3CC[NH2+]CC3)no2)cc1)C(C)C ZINC000843139005 1321476150 /nfs/dbraw/zinc/47/61/50/1321476150.db2.gz NQLMGKZFZCSITL-UHFFFAOYSA-N 2 0 328.460 3.434 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000843342407 1321502666 /nfs/dbraw/zinc/50/26/66/1321502666.db2.gz QGNCFQYVTNUULG-NJDAHSKKSA-N 3 0 329.532 3.396 20 0 EGADRP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843342883 1321502726 /nfs/dbraw/zinc/50/27/26/1321502726.db2.gz RFAUGMHVIWOSSJ-MPKXVKKWSA-N 2 0 327.241 3.066 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843352477 1321504181 /nfs/dbraw/zinc/50/41/81/1321504181.db2.gz LHBDYXGCFPLGGX-UHFFFAOYSA-N 2 0 325.456 3.100 20 0 EGADRP C[N@H+](CCOc1cc(F)cc(Br)c1)C1CCC([NH3+])CC1 ZINC000843354976 1321505453 /nfs/dbraw/zinc/50/54/53/1321505453.db2.gz HMZICSXRJBFGOF-UHFFFAOYSA-N 2 0 345.256 3.169 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000843363401 1321506604 /nfs/dbraw/zinc/50/66/04/1321506604.db2.gz BHOVDCQOGMTKCB-LJQANCHMSA-N 2 0 343.515 3.039 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378133 1321508969 /nfs/dbraw/zinc/50/89/69/1321508969.db2.gz SQTPTHBHLKUGAI-JKSUJKDBSA-N 2 0 331.504 3.372 20 0 EGADRP CCc1ccc2c(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000843385526 1321509388 /nfs/dbraw/zinc/50/93/88/1321509388.db2.gz NVPMNZPFFRVCKC-KRWDZBQOSA-N 2 0 340.467 3.177 20 0 EGADRP C[C@H]1C[C@H](CCNC(=[NH2+])NCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989917 1322056439 /nfs/dbraw/zinc/05/64/39/1322056439.db2.gz LHAFCWKIRXTBSN-LPHOPBHVSA-N 2 0 328.504 3.201 20 0 EGADRP C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000849055068 1322060720 /nfs/dbraw/zinc/06/07/20/1322060720.db2.gz SBGPZFKLONBHJR-QGZVFWFLSA-N 2 0 328.504 3.429 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc2ccccc12 ZINC000849071894 1322066056 /nfs/dbraw/zinc/06/60/56/1322066056.db2.gz OJVUWAXPFBOSNW-HNNXBMFYSA-N 2 0 330.501 3.042 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=[NH2+])NC2CCC2)C1 ZINC000849110994 1322082133 /nfs/dbraw/zinc/08/21/33/1322082133.db2.gz RIGODOFXFCLBQJ-HZPDHXFCSA-N 2 0 328.504 3.331 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850435485 1322248817 /nfs/dbraw/zinc/24/88/17/1322248817.db2.gz AHMMIHVIVPDORP-IRXDYDNUSA-N 2 0 344.499 3.163 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc2c(c1)CCCO2 ZINC000850445407 1322250614 /nfs/dbraw/zinc/25/06/14/1322250614.db2.gz CUKDUXJPFKHVEX-CWFSZBLJSA-N 2 0 344.499 3.040 20 0 EGADRP C[C@H]1Cc2cc(C[NH2+]Cc3cccc(OCC[NH+](C)C)c3)ccc2O1 ZINC000921545302 1322347385 /nfs/dbraw/zinc/34/73/85/1322347385.db2.gz FGGYCBFHJCCRNP-INIZCTEOSA-N 2 0 340.467 3.240 20 0 EGADRP c1nn(CC2CCC2)cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000921962069 1322430322 /nfs/dbraw/zinc/43/03/22/1322430322.db2.gz VZEVVWMBMVIHMT-UHFFFAOYSA-N 2 0 339.487 3.084 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[C@@]4(C[N@@H+](C)[C@@H]4C(C)C)C[C@H]3O)cc21 ZINC000922390788 1322517253 /nfs/dbraw/zinc/51/72/53/1322517253.db2.gz OVWWJHKLUCFLHZ-NCYKPQTJSA-N 2 0 341.499 3.046 20 0 EGADRP C[C@@H]([NH3+])CN(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000859619407 1329036884 /nfs/dbraw/zinc/03/68/84/1329036884.db2.gz GZVLHKQCUPYIQY-OAHLLOKOSA-N 2 0 332.492 3.262 20 0 EGADRP COc1cc(OC)c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1F ZINC000922845646 1322631548 /nfs/dbraw/zinc/63/15/48/1322631548.db2.gz GXKGFGUFLAPGIB-UHFFFAOYSA-N 2 0 336.451 3.340 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321217 1322733494 /nfs/dbraw/zinc/73/34/94/1322733494.db2.gz AIWLNWVUINCYON-PQQKJQCNSA-N 3 0 333.564 3.494 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000923361970 1322740680 /nfs/dbraw/zinc/74/06/80/1322740680.db2.gz JEVJGAMSOVHEER-GDZNZVCISA-N 2 0 343.298 3.348 20 0 EGADRP C[C@@H](c1ccsc1)N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923371121 1322742201 /nfs/dbraw/zinc/74/22/01/1322742201.db2.gz PDJAHJKNLYXOPV-WELJNPPOSA-N 2 0 333.545 3.347 20 0 EGADRP [NH3+]CC[C@@H]1CCN(Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000923487650 1322761024 /nfs/dbraw/zinc/76/10/24/1322761024.db2.gz NEBFTLLYIQEHQJ-CYBMUJFWSA-N 2 0 335.448 3.032 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000924377885 1323002133 /nfs/dbraw/zinc/00/21/33/1323002133.db2.gz RDVGYAJMWZZGEJ-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)(C)OC(=O)NCC1CC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000924570937 1323058160 /nfs/dbraw/zinc/05/81/60/1323058160.db2.gz REAGHVXNOWMAHP-UHFFFAOYSA-N 2 0 339.524 3.189 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000924578224 1323060644 /nfs/dbraw/zinc/06/06/44/1323060644.db2.gz MGKVEHRJKLFHOY-GFCCVEGCSA-N 2 0 348.293 3.421 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024010781 1323078617 /nfs/dbraw/zinc/07/86/17/1323078617.db2.gz XEPQJOZZJPGMHA-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024010160 1323078834 /nfs/dbraw/zinc/07/88/34/1323078834.db2.gz HPVKETFSYIABES-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ncccc1Cl ZINC000924656975 1323097895 /nfs/dbraw/zinc/09/78/95/1323097895.db2.gz DXXDLJKIKYZUSK-KRWDZBQOSA-N 2 0 338.927 3.193 20 0 EGADRP CON1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000924681680 1323111162 /nfs/dbraw/zinc/11/11/62/1323111162.db2.gz ZWLGFZXMEUOIBZ-KRWDZBQOSA-N 2 0 331.504 3.034 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684176 1323112736 /nfs/dbraw/zinc/11/27/36/1323112736.db2.gz JPGKTJRYUMGFCE-KURKYZTESA-N 2 0 341.503 3.286 20 0 EGADRP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924756125 1323147180 /nfs/dbraw/zinc/14/71/80/1323147180.db2.gz LBYYWNPXCXQNBC-VQIMIIECSA-N 2 0 344.474 3.389 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001024120761 1323150394 /nfs/dbraw/zinc/15/03/94/1323150394.db2.gz PKNYAROVZWPYGD-IHPCNDPISA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001024120762 1323150995 /nfs/dbraw/zinc/15/09/95/1323150995.db2.gz PKNYAROVZWPYGD-SXLOBPIMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000924854092 1323188094 /nfs/dbraw/zinc/18/80/94/1323188094.db2.gz RRZVZKYGODEKQN-FUHWJXTLSA-N 2 0 325.456 3.350 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]C2CC3(C2)CCCC3)c2ccccc2)CC1 ZINC000924927375 1323215904 /nfs/dbraw/zinc/21/59/04/1323215904.db2.gz JBCJITHDDOINID-HXUWFJFHSA-N 2 0 327.516 3.288 20 0 EGADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924940018 1323223264 /nfs/dbraw/zinc/22/32/64/1323223264.db2.gz IDRKEHWDLXTMOA-FKBYEOEOSA-N 2 0 344.543 3.472 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1csc2ccccc21 ZINC000924966347 1323232949 /nfs/dbraw/zinc/23/29/49/1323232949.db2.gz SMALOBFXDJSKDV-HUUCEWRRSA-N 2 0 345.512 3.139 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000852754142 1323236585 /nfs/dbraw/zinc/23/65/85/1323236585.db2.gz QLDIPVBHEDGMNU-QGZVFWFLSA-N 2 0 340.467 3.313 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(-c2ccccc2)no1 ZINC000925023415 1323247659 /nfs/dbraw/zinc/24/76/59/1323247659.db2.gz NAHQFPKXPCXYPK-AEFFLSMTSA-N 2 0 343.471 3.229 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001024278290 1323256582 /nfs/dbraw/zinc/25/65/82/1323256582.db2.gz JGPKWCOUWIFBOI-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024366603 1323341108 /nfs/dbraw/zinc/34/11/08/1323341108.db2.gz TXXLGKYGCMINAB-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024436644 1323396061 /nfs/dbraw/zinc/39/60/61/1323396061.db2.gz GIILTAKNXAGHQU-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001024448041 1323407656 /nfs/dbraw/zinc/40/76/56/1323407656.db2.gz ASHSRZNRYUJHNY-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001024514330 1323465081 /nfs/dbraw/zinc/46/50/81/1323465081.db2.gz XTRHWNKFFYLXHZ-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2CCC(C)C)ccc2c[nH+]cn21 ZINC001024520196 1323469976 /nfs/dbraw/zinc/46/99/76/1323469976.db2.gz FUVBXVYKPMPFSZ-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC=C(C)C)C1 ZINC001024614923 1323541851 /nfs/dbraw/zinc/54/18/51/1323541851.db2.gz LOZYTCFGCJFSDF-MOPGFXCFSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCC2)CC1 ZINC001024738194 1323636848 /nfs/dbraw/zinc/63/68/48/1323636848.db2.gz QVLZHWLUUQMERY-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCC2)c1 ZINC001024810580 1323714488 /nfs/dbraw/zinc/71/44/88/1323714488.db2.gz GXFOOSHJOHKSHZ-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814984 1323717105 /nfs/dbraw/zinc/71/71/05/1323717105.db2.gz ZFJALNSILRWSDH-MJGOQNOKSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024962686 1323801764 /nfs/dbraw/zinc/80/17/64/1323801764.db2.gz UDRUQKBOMKIWRL-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024962684 1323801953 /nfs/dbraw/zinc/80/19/53/1323801953.db2.gz UDRUQKBOMKIWRL-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)C1CCC1 ZINC001024983364 1323812923 /nfs/dbraw/zinc/81/29/23/1323812923.db2.gz QEMADVXOWDRPPU-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024984919 1323813371 /nfs/dbraw/zinc/81/33/71/1323813371.db2.gz KLZYYQYBMPMLLE-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N1CCCC[C@H]1C[NH2+]CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001025011074 1323825341 /nfs/dbraw/zinc/82/53/41/1323825341.db2.gz SWSJUGLWIATHME-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]2C1 ZINC000931433860 1329117114 /nfs/dbraw/zinc/11/71/14/1329117114.db2.gz ITUHLPUPLQQATN-MOPGFXCFSA-N 2 0 349.478 3.176 20 0 EGADRP Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001025073431 1323875179 /nfs/dbraw/zinc/87/51/79/1323875179.db2.gz GZCHSUFBVXUTEH-WOJBJXKFSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025104821 1323897279 /nfs/dbraw/zinc/89/72/79/1323897279.db2.gz HMFAFXKGLIKEHB-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CCC2CC2)CCC1 ZINC001025241099 1324035994 /nfs/dbraw/zinc/03/59/94/1324035994.db2.gz UPDZQGNMADLZGA-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293524 1324120521 /nfs/dbraw/zinc/12/05/21/1324120521.db2.gz CZKOMFBPGQICGB-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300060 1324132560 /nfs/dbraw/zinc/13/25/60/1324132560.db2.gz AYXSGQKDNRPYQK-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1C[NH+](C)C ZINC001025300840 1324134366 /nfs/dbraw/zinc/13/43/66/1324134366.db2.gz GIJDESBGGQURPI-PMACEKPBSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001025525403 1324371919 /nfs/dbraw/zinc/37/19/19/1324371919.db2.gz NWARCPUFKMBELE-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025529077 1324376683 /nfs/dbraw/zinc/37/66/83/1324376683.db2.gz YLGXKKUJVQPQMF-PXNSSMCTSA-N 2 0 345.531 3.029 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025629067 1324480325 /nfs/dbraw/zinc/48/03/25/1324480325.db2.gz ZPSMSEBBOIMJBP-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CC1(C)CC(C[NH2+]C2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001026560423 1324896319 /nfs/dbraw/zinc/89/63/19/1324896319.db2.gz OAVCPLGYMHLGLX-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2CCC([NH2+]CC3CCC3)CC2)c1 ZINC001026609886 1324931492 /nfs/dbraw/zinc/93/14/92/1324931492.db2.gz XNJCMPCEOOBBNC-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000925119828 1325052770 /nfs/dbraw/zinc/05/27/70/1325052770.db2.gz ZRJLNSHEVIDDFC-KRWDZBQOSA-N 2 0 348.874 3.263 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001026887842 1325062699 /nfs/dbraw/zinc/06/26/99/1325062699.db2.gz WIOSFQOUATVZKT-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925239074 1325091584 /nfs/dbraw/zinc/09/15/84/1325091584.db2.gz CKACVGIXBYBAHR-PZJWPPBQSA-N 2 0 341.499 3.426 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1 ZINC000925506139 1325181735 /nfs/dbraw/zinc/18/17/35/1325181735.db2.gz WDBKNSBXQVUZNL-XLIONFOSSA-N 2 0 330.447 3.047 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001027062928 1325199859 /nfs/dbraw/zinc/19/98/59/1325199859.db2.gz FGWQUWAEHNGLQB-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925550824 1325203828 /nfs/dbraw/zinc/20/38/28/1325203828.db2.gz CVENNYSMECGDCE-IPMKNSEASA-N 2 0 343.515 3.032 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cn2)n1 ZINC000925561470 1325209840 /nfs/dbraw/zinc/20/98/40/1325209840.db2.gz CEFHEOCJECKOPH-FQEVSTJZSA-N 2 0 349.482 3.454 20 0 EGADRP Fc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1-n1ccnc1 ZINC000925566768 1325213475 /nfs/dbraw/zinc/21/34/75/1325213475.db2.gz GCTDKVGOMSSTJP-HKUYNNGSSA-N 2 0 342.462 3.269 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000925575160 1325216978 /nfs/dbraw/zinc/21/69/78/1325216978.db2.gz VDNLTZRAGBOODM-QGZVFWFLSA-N 2 0 331.847 3.348 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c2ccccc21 ZINC000925624796 1325235731 /nfs/dbraw/zinc/23/57/31/1325235731.db2.gz CFTQUWYNYQARDM-UFYCRDLUSA-N 2 0 341.499 3.242 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000925653841 1325249307 /nfs/dbraw/zinc/24/93/07/1325249307.db2.gz ZYOBIUUMNFQGKN-QHAWAJNXSA-N 2 0 342.458 3.362 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000925676785 1325259718 /nfs/dbraw/zinc/25/97/18/1325259718.db2.gz PAGCYOHBBXQHHA-SPQGHWSVSA-N 3 0 341.543 3.394 20 0 EGADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1C ZINC000925697692 1325262635 /nfs/dbraw/zinc/26/26/35/1325262635.db2.gz ZQPYGTYJQJBWGQ-RTWAWAEBSA-N 2 0 326.484 3.277 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCCC2 ZINC000925764694 1325290887 /nfs/dbraw/zinc/29/08/87/1325290887.db2.gz ACFBUKPHUGGKNV-IXEWLPCDSA-N 2 0 330.472 3.344 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925799660 1325306311 /nfs/dbraw/zinc/30/63/11/1325306311.db2.gz AQTYQIJQALCHIG-RRFJBIMHSA-N 2 0 344.425 3.111 20 0 EGADRP c1ccc([C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)nc1 ZINC000925824258 1325317233 /nfs/dbraw/zinc/31/72/33/1325317233.db2.gz WFFDDBSXWDFUOR-CEWLAPEOSA-N 2 0 335.451 3.378 20 0 EGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925831875 1325320410 /nfs/dbraw/zinc/32/04/10/1325320410.db2.gz DVLMXLHGVLFTNH-ARFHVFGLSA-N 2 0 337.305 3.278 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926172280 1325456587 /nfs/dbraw/zinc/45/65/87/1325456587.db2.gz TYXWGCQVUYQASO-HNAYVOBHSA-N 2 0 349.494 3.103 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000964153713 1325483044 /nfs/dbraw/zinc/48/30/44/1325483044.db2.gz PUOFDKJKKAAMQJ-MHJFOBGBSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926248381 1325491072 /nfs/dbraw/zinc/49/10/72/1325491072.db2.gz ANKHDBQLZROXKY-DYESRHJHSA-N 2 0 326.484 3.311 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000964437060 1325524818 /nfs/dbraw/zinc/52/48/18/1325524818.db2.gz KEZKXEYWLYCBBZ-CTWPCTMYSA-N 2 0 335.536 3.020 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1CCC([NH2+]CC2CC2)CC1 ZINC000964437923 1325525975 /nfs/dbraw/zinc/52/59/75/1325525975.db2.gz PRTKIKQYKDTGEX-UHFFFAOYSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCCC1 ZINC000856885306 1325538870 /nfs/dbraw/zinc/53/88/70/1325538870.db2.gz VPVPHWDIHCKRHC-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC000926530987 1325586991 /nfs/dbraw/zinc/58/69/91/1325586991.db2.gz DOOGKBLIKVQTMF-UXHICEINSA-N 2 0 331.504 3.402 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(Br)n1 ZINC000926560940 1327617789 /nfs/dbraw/zinc/61/77/89/1327617789.db2.gz ULMKNIYAMWWQPE-GFCCVEGCSA-N 2 0 326.282 3.369 20 0 EGADRP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000926553853 1327613458 /nfs/dbraw/zinc/61/34/58/1327613458.db2.gz VIRVUOAPKYMBIU-OTYNDTSQSA-N 2 0 328.500 3.323 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027430581 1327669887 /nfs/dbraw/zinc/66/98/87/1327669887.db2.gz SWUDGIIDOAJSBC-KRWDZBQOSA-N 2 0 349.544 3.146 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001027444543 1327685850 /nfs/dbraw/zinc/68/58/50/1327685850.db2.gz SSUYJRGDZGOENP-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449628 1327689296 /nfs/dbraw/zinc/68/92/96/1327689296.db2.gz DZBSSWUGRGCYKG-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481839 1327737419 /nfs/dbraw/zinc/73/74/19/1327737419.db2.gz WYQYTJXDGYMELY-LJQANCHMSA-N 2 0 348.450 3.071 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027520392 1327791725 /nfs/dbraw/zinc/79/17/25/1327791725.db2.gz MEHLXGHPIICCKX-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542069 1327844641 /nfs/dbraw/zinc/84/46/41/1327844641.db2.gz HPPLREADBGSORO-MOPGFXCFSA-N 2 0 335.536 3.115 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555377 1327862545 /nfs/dbraw/zinc/86/25/45/1327862545.db2.gz KGLSYOKBTFNTDO-XLIONFOSSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001027575938 1327910383 /nfs/dbraw/zinc/91/03/83/1327910383.db2.gz GSLZBSLTQHIGGH-ICSRJNTNSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001027602197 1327954107 /nfs/dbraw/zinc/95/41/07/1327954107.db2.gz NFPMAEHSZJJBMT-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647042 1328023404 /nfs/dbraw/zinc/02/34/04/1328023404.db2.gz KWWMEMLELGYPQL-FPOVZHCZSA-N 2 0 345.531 3.042 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027693499 1328099179 /nfs/dbraw/zinc/09/91/79/1328099179.db2.gz CMPLFWCLUSQNRC-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694404 1328100652 /nfs/dbraw/zinc/10/06/52/1328100652.db2.gz XXDQKILSBNOKST-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001027694550 1328100726 /nfs/dbraw/zinc/10/07/26/1328100726.db2.gz CHHGNGHYCGTNDR-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966071926 1328168859 /nfs/dbraw/zinc/16/88/59/1328168859.db2.gz BRYCZUSSTNRVHW-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000862353030 1329477027 /nfs/dbraw/zinc/47/70/27/1329477027.db2.gz REAWFFRXDGHUCC-UHFFFAOYSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cccnc2Br)C1 ZINC000865416039 1329693944 /nfs/dbraw/zinc/69/39/44/1329693944.db2.gz SGCYXPPBYXMNQH-CQSZACIVSA-N 2 0 340.309 3.446 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000933258941 1329875649 /nfs/dbraw/zinc/87/56/49/1329875649.db2.gz UTJSQCFHTPFLMB-IEBWSBKVSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000934844152 1330012174 /nfs/dbraw/zinc/01/21/74/1330012174.db2.gz VPPCVZGGFBGQNF-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000866413411 1330108703 /nfs/dbraw/zinc/10/87/03/1330108703.db2.gz QXAFUTAGILCCTP-RLLQIKCJSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@H]([NH2+]CC[C@H](O)C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866638313 1330136690 /nfs/dbraw/zinc/13/66/90/1330136690.db2.gz PBHMWYKHWRSVSG-WMQCIHAUSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868176685 1330258891 /nfs/dbraw/zinc/25/88/91/1330258891.db2.gz RGVSMSKFACWLCF-GBESFXJTSA-N 2 0 344.503 3.133 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093463 1331329954 /nfs/dbraw/zinc/32/99/54/1331329954.db2.gz PZDVRZWYGQYMOW-LJQANCHMSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H]1C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557864 1331972595 /nfs/dbraw/zinc/97/25/95/1331972595.db2.gz OABNJLKAHQQQKZ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP 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CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014631962 1337853611 /nfs/dbraw/zinc/85/36/11/1337853611.db2.gz PTLKFYWKLGMCQR-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112020 1338022644 /nfs/dbraw/zinc/02/26/44/1338022644.db2.gz AXNKXHWFXRUVTM-VQIMIIECSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015291993 1338087063 /nfs/dbraw/zinc/08/70/63/1338087063.db2.gz XSAVBPDFGXYROT-GOSISDBHSA-N 2 0 338.455 3.029 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015795419 1338314713 /nfs/dbraw/zinc/31/47/13/1338314713.db2.gz OYLLIOJCAXURRA-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796799 1338315920 /nfs/dbraw/zinc/31/59/20/1338315920.db2.gz RAUNPJFLVZOBJB-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001016336648 1338554624 /nfs/dbraw/zinc/55/46/24/1338554624.db2.gz DAUNADHNIAQUDW-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001016338997 1338555190 /nfs/dbraw/zinc/55/51/90/1338555190.db2.gz MTPDIJYGDTXQCZ-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001016544407 1338640011 /nfs/dbraw/zinc/64/00/11/1338640011.db2.gz WMBGCHMSWJDRPF-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001016544405 1338640482 /nfs/dbraw/zinc/64/04/82/1338640482.db2.gz WMBGCHMSWJDRPF-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2)[NH+]1CCCCCC1 ZINC001016861663 1338750764 /nfs/dbraw/zinc/75/07/64/1338750764.db2.gz OWYXMKGCSOQPGB-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016986428 1338793732 /nfs/dbraw/zinc/79/37/32/1338793732.db2.gz QWSQOANYJXVGGD-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCC3)C2)C1 ZINC001017190644 1338937119 /nfs/dbraw/zinc/93/71/19/1338937119.db2.gz BZBMDYWUNLWPEJ-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCC3)C2)C1 ZINC001017190649 1338937149 /nfs/dbraw/zinc/93/71/49/1338937149.db2.gz BZBMDYWUNLWPEJ-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2C)C1)[NH+](C)C ZINC001017214977 1338957685 /nfs/dbraw/zinc/95/76/85/1338957685.db2.gz ZVMYULBXNUJOQD-QUCCMNQESA-N 2 0 345.531 3.006 20 0 EGADRP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689024 1339391652 /nfs/dbraw/zinc/39/16/52/1339391652.db2.gz LWQRUOPTLAZCGU-HDICACEKSA-N 2 0 335.536 3.115 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001017959585 1339468391 /nfs/dbraw/zinc/46/83/91/1339468391.db2.gz UKPYIQKHXCVCTK-WCIQWLHISA-N 2 0 343.515 3.153 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018310063 1339571280 /nfs/dbraw/zinc/57/12/80/1339571280.db2.gz DUJCMRCAJXHKNR-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001018850500 1339738232 /nfs/dbraw/zinc/73/82/32/1339738232.db2.gz VRBXOPHZBBJKGF-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001028181047 1340471418 /nfs/dbraw/zinc/47/14/18/1340471418.db2.gz MKRPAVRDFILRII-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028579863 1340712385 /nfs/dbraw/zinc/71/23/85/1340712385.db2.gz KEOLUKZHECKYLN-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754800 1340790420 /nfs/dbraw/zinc/79/04/20/1340790420.db2.gz AIDYETYRBFQDEM-ICSRJNTNSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(NC[C@H]1CC[N@H+](CCC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028755639 1340791408 /nfs/dbraw/zinc/79/14/08/1340791408.db2.gz RDGJESNXGSELHW-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028846073 1340857494 /nfs/dbraw/zinc/85/74/94/1340857494.db2.gz XETCHVRLUVAMGM-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001028901940 1340878760 /nfs/dbraw/zinc/87/87/60/1340878760.db2.gz KSFZDGUENRQJRJ-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001028902253 1340879207 /nfs/dbraw/zinc/87/92/07/1340879207.db2.gz RWUNMBKKWQCFPX-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CCC(C)(C)C)C2)c1 ZINC001029001407 1340904902 /nfs/dbraw/zinc/90/49/02/1340904902.db2.gz XDNUVJIKLMIDCA-SFHVURJKSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001029111538 1340932331 /nfs/dbraw/zinc/93/23/31/1340932331.db2.gz JVLVNMUGYVKRJS-LPHOPBHVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001029113125 1340932992 /nfs/dbraw/zinc/93/29/92/1340932992.db2.gz GXUARNRWNZFHAJ-MRXNPFEDSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001029555642 1341011529 /nfs/dbraw/zinc/01/15/29/1341011529.db2.gz DOAGMWSWCDDXRC-WCIQWLHISA-N 2 0 343.515 3.153 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001029754946 1341064097 /nfs/dbraw/zinc/06/40/97/1341064097.db2.gz GSMQAYLBMPZVHA-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032727164 1341593366 /nfs/dbraw/zinc/59/33/66/1341593366.db2.gz ZTEUQJQLWDAMKG-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032802640 1341618882 /nfs/dbraw/zinc/61/88/82/1341618882.db2.gz IBAGQVLHYZTNIY-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033077342 1341717859 /nfs/dbraw/zinc/71/78/59/1341717859.db2.gz QNZRUHCKKQKDQG-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083314 1341718940 /nfs/dbraw/zinc/71/89/40/1341718940.db2.gz ZPVWONIXQDXLPU-ICSRJNTNSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033126391 1341733874 /nfs/dbraw/zinc/73/38/74/1341733874.db2.gz MPFKEOXISOXBJC-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467860 1341837795 /nfs/dbraw/zinc/83/77/95/1341837795.db2.gz RQZLDHKBONCYCP-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033471580 1341839474 /nfs/dbraw/zinc/83/94/74/1341839474.db2.gz LLRIOUONCDYZOC-ZWKOTPCHSA-N 2 0 349.544 3.044 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033508618 1341851695 /nfs/dbraw/zinc/85/16/95/1341851695.db2.gz MODCWHNZMMVZMI-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033593112 1341888481 /nfs/dbraw/zinc/88/84/81/1341888481.db2.gz GDQSXMPWSLMDKF-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033933427 1342096413 /nfs/dbraw/zinc/09/64/13/1342096413.db2.gz BPQRMJKKMSQDFI-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033940919 1342102815 /nfs/dbraw/zinc/10/28/15/1342102815.db2.gz LILNARRGPBNJDV-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046213 1342186109 /nfs/dbraw/zinc/18/61/09/1342186109.db2.gz QSZLEABBPQUBFC-MOPGFXCFSA-N 2 0 349.494 3.033 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217732 1342324321 /nfs/dbraw/zinc/32/43/21/1342324321.db2.gz UQQWEMHNMRWYPO-CEXWTWQISA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249966 1342346904 /nfs/dbraw/zinc/34/69/04/1342346904.db2.gz NNKCJRCMRFSLDN-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034287966 1342375008 /nfs/dbraw/zinc/37/50/08/1342375008.db2.gz JRMSDCAFYJGCKJ-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034646809 1342669272 /nfs/dbraw/zinc/66/92/72/1342669272.db2.gz VWUVDLICYFMVAY-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001034649052 1342670038 /nfs/dbraw/zinc/67/00/38/1342670038.db2.gz DGMHXMYRRPMFEK-LWYYNNOASA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034659668 1342676135 /nfs/dbraw/zinc/67/61/35/1342676135.db2.gz WZBXEQYPTCSKSM-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001034734482 1342728851 /nfs/dbraw/zinc/72/88/51/1342728851.db2.gz PIUFPJAECARHSM-TZCBXBLLSA-N 2 0 349.563 3.172 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001034776438 1342754235 /nfs/dbraw/zinc/75/42/35/1342754235.db2.gz UIPWLFYPONGILU-PWKSQPCKSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034796928 1342763272 /nfs/dbraw/zinc/76/32/72/1342763272.db2.gz RJFNNEFMTSWBDV-PSBWJHGTSA-N 2 0 349.563 3.312 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001034959908 1342854307 /nfs/dbraw/zinc/85/43/07/1342854307.db2.gz ISLHBTJXOSFHKS-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034962560 1342854755 /nfs/dbraw/zinc/85/47/55/1342854755.db2.gz TYMYGRZMGXFNPS-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC001035070098 1342910745 /nfs/dbraw/zinc/91/07/45/1342910745.db2.gz HLGYGCHIBHNULM-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccccc1Cl ZINC001035127652 1342944780 /nfs/dbraw/zinc/94/47/80/1342944780.db2.gz VUPKOONRZRHMAJ-HZPDHXFCSA-N 2 0 349.906 3.077 20 0 EGADRP CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193996 1343008060 /nfs/dbraw/zinc/00/80/60/1343008060.db2.gz RYKIQKZLSSRXQG-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CC(CC)CC)C2)CC1 ZINC001035717862 1343150711 /nfs/dbraw/zinc/15/07/11/1343150711.db2.gz VAEIYAGXUWVLGW-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC3(C[NH+](CCC(C)C)C3)CC2)C1 ZINC001035772611 1343184570 /nfs/dbraw/zinc/18/45/70/1343184570.db2.gz HCZZBBVMLLKRCH-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036098973 1343312210 /nfs/dbraw/zinc/31/22/10/1343312210.db2.gz XCAZGPNIPKIGSE-LPHOPBHVSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036414523 1343472539 /nfs/dbraw/zinc/47/25/39/1343472539.db2.gz OZXJDONRSUACJI-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001036423115 1343477337 /nfs/dbraw/zinc/47/73/37/1343477337.db2.gz ZUVFHACTUIGWKO-FUHWJXTLSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001036450559 1343494546 /nfs/dbraw/zinc/49/45/46/1343494546.db2.gz NVIUNIMNFKCXIE-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]C(C)C)o1 ZINC001036601566 1343571192 /nfs/dbraw/zinc/57/11/92/1343571192.db2.gz WHWJNFLGGSJSAU-FUHWJXTLSA-N 2 0 349.519 3.360 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036730967 1343660271 /nfs/dbraw/zinc/66/02/71/1343660271.db2.gz MCZCVLUBIUFALP-DOTOQJQBSA-N 2 0 349.544 3.146 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CC2)c1 ZINC001037279768 1344071632 /nfs/dbraw/zinc/07/16/32/1344071632.db2.gz SVJMVEXTEGPJPG-VQTJNVASSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037964340 1344207876 /nfs/dbraw/zinc/20/78/76/1344207876.db2.gz SMFLFLINPQMJIR-ICSRJNTNSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038329599 1344383285 /nfs/dbraw/zinc/38/32/85/1344383285.db2.gz PVILKIMKHZECJH-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038625879 1344510423 /nfs/dbraw/zinc/51/04/23/1344510423.db2.gz SMJHIDOTHOCAKS-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159240 1344844155 /nfs/dbraw/zinc/84/41/55/1344844155.db2.gz IDCGEXXHUVYPOU-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167567 1344855438 /nfs/dbraw/zinc/85/54/38/1344855438.db2.gz XSFZZQSMCMAHJB-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039298724 1345002180 /nfs/dbraw/zinc/00/21/80/1345002180.db2.gz LCZXQXQHWDBOHY-QBUWPKIASA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474351 1345089293 /nfs/dbraw/zinc/08/92/93/1345089293.db2.gz CUAZGQPSQCMLLG-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001039486170 1345103922 /nfs/dbraw/zinc/10/39/22/1345103922.db2.gz ACXVMJZYLHLRCT-FQEVSTJZSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CC(C)C2)CC1)[NH+](C)C ZINC001039487095 1345106521 /nfs/dbraw/zinc/10/65/21/1345106521.db2.gz YHSUWTIWDDCTEW-OUNSHVDWSA-N 2 0 349.563 3.076 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001039492263 1345112460 /nfs/dbraw/zinc/11/24/60/1345112460.db2.gz IGXYMBHTGXZFAH-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001039528970 1345131295 /nfs/dbraw/zinc/13/12/95/1345131295.db2.gz VIUKQSAYDJKRGB-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001039913809 1345245266 /nfs/dbraw/zinc/24/52/66/1345245266.db2.gz DWPVKRRVQICWMN-RLLQIKCJSA-N 2 0 345.531 3.036 20 0 EGADRP C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001039939857 1345253198 /nfs/dbraw/zinc/25/31/98/1345253198.db2.gz UOYHDFXPPQQZAB-YSIASYRMSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040370127 1345459432 /nfs/dbraw/zinc/45/94/32/1345459432.db2.gz XDGUZMJXEFXICC-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431365 1345494057 /nfs/dbraw/zinc/49/40/57/1345494057.db2.gz GNVQNBUBORXUEW-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492867 1345519170 /nfs/dbraw/zinc/51/91/70/1345519170.db2.gz GEOBDFJUJMMXRI-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847452 1345587526 /nfs/dbraw/zinc/58/75/26/1345587526.db2.gz PJLMNBYWUFSZKC-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2)[NH+](C)C ZINC001040852959 1345588313 /nfs/dbraw/zinc/58/83/13/1345588313.db2.gz FXHNWERBRBGSLE-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040948568 1345607380 /nfs/dbraw/zinc/60/73/80/1345607380.db2.gz UMZNQNZMSQPXTL-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769407 1345843981 /nfs/dbraw/zinc/84/39/81/1345843981.db2.gz OMCOTIXGZWRAJZ-GHTZIAJQSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782020 1345847843 /nfs/dbraw/zinc/84/78/43/1345847843.db2.gz OSRZWEJIDXTYFI-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368583 1346059319 /nfs/dbraw/zinc/05/93/19/1346059319.db2.gz RXQCXIUPGNBCME-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371025 1346060957 /nfs/dbraw/zinc/06/09/57/1346060957.db2.gz KDXJICFJXFQXIC-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC001042725606 1346110328 /nfs/dbraw/zinc/11/03/28/1346110328.db2.gz XIXUNJIITUUCHK-KRWDZBQOSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044731167 1346414805 /nfs/dbraw/zinc/41/48/05/1346414805.db2.gz DXZITMYZXKDTLV-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001045067221 1346489381 /nfs/dbraw/zinc/48/93/81/1346489381.db2.gz ISLHBTJXOSFHKS-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045200923 1346529295 /nfs/dbraw/zinc/52/92/95/1346529295.db2.gz VCYYRCDOIOIRBR-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001045205342 1346529750 /nfs/dbraw/zinc/52/97/50/1346529750.db2.gz LHMPDYYKLDQKKM-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045229829 1346536543 /nfs/dbraw/zinc/53/65/43/1346536543.db2.gz VYISFKGVTOSPAL-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001045322653 1346559671 /nfs/dbraw/zinc/55/96/71/1346559671.db2.gz TUKIGCJQROUPHE-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)CC[N@@H+]1C ZINC001045445055 1346595421 /nfs/dbraw/zinc/59/54/21/1346595421.db2.gz QRHJQQGBRJITCL-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC1(NC(=O)c2ccn3c[nH+]cc3c2)CC[NH+](CC2CCCC2)CC1 ZINC001045492352 1346608208 /nfs/dbraw/zinc/60/82/08/1346608208.db2.gz GXAISPZJIVSVAQ-UHFFFAOYSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CC=C(C)C)CC2)C1 ZINC001045531738 1346619488 /nfs/dbraw/zinc/61/94/88/1346619488.db2.gz QDTJNSOQXQBDAD-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CC=C(C)C)CC2)C1 ZINC001045531737 1346619493 /nfs/dbraw/zinc/61/94/93/1346619493.db2.gz QDTJNSOQXQBDAD-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045588572 1346638251 /nfs/dbraw/zinc/63/82/51/1346638251.db2.gz BDMQUYPWPVEMFF-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2(C)CC[NH+](CCC3CC3)CC2)cc1 ZINC001045589574 1346638720 /nfs/dbraw/zinc/63/87/20/1346638720.db2.gz LLBKCCCTQKFCGV-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001045615294 1346648606 /nfs/dbraw/zinc/64/86/06/1346648606.db2.gz GKCDYKJKKLJXPN-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001045781740 1346696743 /nfs/dbraw/zinc/69/67/43/1346696743.db2.gz XEARQODYRGYVTE-YDZRNGNQSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938280 1346774327 /nfs/dbraw/zinc/77/43/27/1346774327.db2.gz WKFRVVOFYOOJPR-FPOVZHCZSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001046330104 1346936225 /nfs/dbraw/zinc/93/62/25/1346936225.db2.gz WNSOJIYPQUQYOF-HGHGUNKESA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001046329428 1346936353 /nfs/dbraw/zinc/93/63/53/1346936353.db2.gz OROBQNSSOQLZRW-YFVAEKQCSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+](CCCC2CCC2)C1 ZINC001046487311 1346991925 /nfs/dbraw/zinc/99/19/25/1346991925.db2.gz UDXPIPAPJZRPMC-FQEVSTJZSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226942187 1375364347 /nfs/dbraw/zinc/36/43/47/1375364347.db2.gz RRINUCNRLCDXTN-KURKYZTESA-N 2 0 325.541 3.026 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001047257834 1347280506 /nfs/dbraw/zinc/28/05/06/1347280506.db2.gz QBJDPNPOYFEDLL-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048340314 1347523153 /nfs/dbraw/zinc/52/31/53/1347523153.db2.gz QSDBJJUXCRPFHT-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001048574965 1347600945 /nfs/dbraw/zinc/60/09/45/1347600945.db2.gz ZGDKDTVEBITJEM-FNLKRUPLSA-N 2 0 343.515 3.129 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)CC[N@@H+]1C ZINC001048606828 1347616603 /nfs/dbraw/zinc/61/66/03/1347616603.db2.gz ZHIBKXWDLSNFSP-VBSBHUPXSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001049483343 1347870815 /nfs/dbraw/zinc/87/08/15/1347870815.db2.gz VYHMQPRMQTYDGV-ZSYWTGECSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049533042 1347895375 /nfs/dbraw/zinc/89/53/75/1347895375.db2.gz LXKGBBOBAYZDQJ-KURKYZTESA-N 2 0 337.552 3.074 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049553489 1347905653 /nfs/dbraw/zinc/90/56/53/1347905653.db2.gz VKBXWNUTGJXCQM-HSALFYBXSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001049707144 1347984371 /nfs/dbraw/zinc/98/43/71/1347984371.db2.gz CJWWGGVJGBMRRH-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049725286 1347991225 /nfs/dbraw/zinc/99/12/25/1347991225.db2.gz WHKFIOVXRQEMJD-MISYRCLQSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001049768165 1348011014 /nfs/dbraw/zinc/01/10/14/1348011014.db2.gz UFGYOPRBBNHAFG-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC(C)(C)C)CC1 ZINC001049804691 1348028143 /nfs/dbraw/zinc/02/81/43/1348028143.db2.gz HLDBYURNMQSYSH-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001049837440 1348050469 /nfs/dbraw/zinc/05/04/69/1348050469.db2.gz PQOQSARRVHKVPL-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001049896273 1348098396 /nfs/dbraw/zinc/09/83/96/1348098396.db2.gz MLALKHCMKSICLK-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1 ZINC001049898217 1348099187 /nfs/dbraw/zinc/09/91/87/1348099187.db2.gz XOQBCNWHKHAZHK-VQTJNVASSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913995 1348108991 /nfs/dbraw/zinc/10/89/91/1348108991.db2.gz LCCJICDJAXBJBM-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001050051041 1348165655 /nfs/dbraw/zinc/16/56/55/1348165655.db2.gz LZUDBGRTKPLDIS-INDMIFKZSA-N 2 0 349.563 3.076 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068918 1348171927 /nfs/dbraw/zinc/17/19/27/1348171927.db2.gz PKHDQCDEZGZDPS-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21)[NH+](C)C ZINC001050144632 1348194804 /nfs/dbraw/zinc/19/48/04/1348194804.db2.gz LLJISAODRRHHCW-FRYIKTPZSA-N 2 0 343.515 3.011 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@H](C)[NH2+]CC3CC3)cc2)CC[N@@H+]1C ZINC001050262555 1348221934 /nfs/dbraw/zinc/22/19/34/1348221934.db2.gz BSDHKPJGLDGYPS-RYGJVYDSSA-N 2 0 343.515 3.094 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050336526 1348230670 /nfs/dbraw/zinc/23/06/70/1348230670.db2.gz NBAIDYUFXZZECS-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)CC1 ZINC001050371168 1348241330 /nfs/dbraw/zinc/24/13/30/1348241330.db2.gz DZAFZTOYWGWZNM-MXVIHJGJSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)c1 ZINC001050393248 1348249072 /nfs/dbraw/zinc/24/90/72/1348249072.db2.gz QGFWPBWUCPDQOW-IRJFHVNHSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F)[NH+](C)C ZINC001051342141 1348438023 /nfs/dbraw/zinc/43/80/23/1348438023.db2.gz GIDHGUJIEZEOAI-FRQCXROJSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447473 1348543956 /nfs/dbraw/zinc/54/39/56/1348543956.db2.gz FLHZYQMMFDAYRP-UYAOXDASSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487533 1348554683 /nfs/dbraw/zinc/55/46/83/1348554683.db2.gz ZSIBNIIGYCNFAO-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052526959 1348566783 /nfs/dbraw/zinc/56/67/83/1348566783.db2.gz NVRZGTXKUGWHCI-LJQANCHMSA-N 2 0 345.531 3.086 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052663778 1348618449 /nfs/dbraw/zinc/61/84/49/1348618449.db2.gz ZBHLBFLQUTWZKW-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052715582 1348645858 /nfs/dbraw/zinc/64/58/58/1348645858.db2.gz GASDQNNDUBNVDO-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC001052858305 1348704558 /nfs/dbraw/zinc/70/45/58/1348704558.db2.gz BSTQTLCYISVKQG-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955273 1348769680 /nfs/dbraw/zinc/76/96/80/1348769680.db2.gz BTNCCLACBZZSPK-MJGOQNOKSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038663 1348839701 /nfs/dbraw/zinc/83/97/01/1348839701.db2.gz ABPDNMWPOBUCQB-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087197 1348911074 /nfs/dbraw/zinc/91/10/74/1348911074.db2.gz IWIDLJOBNUAALO-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001053090786 1348916495 /nfs/dbraw/zinc/91/64/95/1348916495.db2.gz IODSOGRNDZELKF-PKOBYXMFSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184499 1349187561 /nfs/dbraw/zinc/18/75/61/1349187561.db2.gz FRXJOOHRVKPPKG-IRFCIJBXSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264464 1349261483 /nfs/dbraw/zinc/26/14/83/1349261483.db2.gz FKKGKEBFWAWLGC-HXUWFJFHSA-N 2 0 343.515 3.291 20 0 EGADRP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054279845 1349280839 /nfs/dbraw/zinc/28/08/39/1349280839.db2.gz PTRGLQYDWIYXEU-UHFFFAOYSA-N 2 0 343.515 3.006 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054648892 1349428885 /nfs/dbraw/zinc/42/88/85/1349428885.db2.gz KKPLXVKQKJUSCN-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC001054659352 1349431137 /nfs/dbraw/zinc/43/11/37/1349431137.db2.gz PVDUXENKWYFYFX-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667568 1357718580 /nfs/dbraw/zinc/71/85/80/1357718580.db2.gz KOXIXDDNECZVCJ-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001183082562 1387259633 /nfs/dbraw/zinc/25/96/33/1387259633.db2.gz YUJYRWATKYRORM-CLKPHGLSSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC001071685532 1354849847 /nfs/dbraw/zinc/84/98/47/1354849847.db2.gz DAQNQVFESMJXLL-LPHOPBHVSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCC1CCCC1 ZINC001071736089 1354888285 /nfs/dbraw/zinc/88/82/85/1354888285.db2.gz XIQLKBAGZNSJSG-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001071739301 1354888865 /nfs/dbraw/zinc/88/88/65/1354888865.db2.gz QNVLGLJCLXNICK-MJGOQNOKSA-N 2 0 343.515 3.030 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071829006 1354965463 /nfs/dbraw/zinc/96/54/63/1354965463.db2.gz YNAABDVKWLQEMI-YLJYHZDGSA-N 2 0 345.531 3.174 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CCCCC3)C2)CC1 ZINC001071931480 1355031679 /nfs/dbraw/zinc/03/16/79/1355031679.db2.gz WCRZXGBAHADTNE-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CCCC1CCCC1 ZINC001071996257 1355065060 /nfs/dbraw/zinc/06/50/60/1355065060.db2.gz PQDVTAZJCKIXRP-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1)[NH+]1CCCCCC1 ZINC001074075591 1356070060 /nfs/dbraw/zinc/07/00/60/1356070060.db2.gz HQHJCPJDCYSBGL-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001074092102 1356077794 /nfs/dbraw/zinc/07/77/94/1356077794.db2.gz VBLUPJYWVBJTKP-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCCCF)[NH+](C)C ZINC001099125794 1363638970 /nfs/dbraw/zinc/63/89/70/1363638970.db2.gz KWBLATAKUSIEHW-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099315554 1363745541 /nfs/dbraw/zinc/74/55/41/1363745541.db2.gz HBLSMNYLYRLJOI-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082508275 1358052489 /nfs/dbraw/zinc/05/24/89/1358052489.db2.gz XAZZKXKRNRLNTP-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001082589139 1358063130 /nfs/dbraw/zinc/06/31/30/1358063130.db2.gz KLUOTWHMFLOAFZ-BHIYHBOVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082783293 1358092277 /nfs/dbraw/zinc/09/22/77/1358092277.db2.gz OXOJLBNCOSXONV-RLLQIKCJSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082783240 1358092364 /nfs/dbraw/zinc/09/23/64/1358092364.db2.gz JZHMEUHZSPMCSS-BHIYHBOVSA-N 2 0 349.563 3.122 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085152325 1358414054 /nfs/dbraw/zinc/41/40/54/1358414054.db2.gz ALIXJUUKXDLUER-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085217890 1358436192 /nfs/dbraw/zinc/43/61/92/1358436192.db2.gz WIUZRDYEPIVKQC-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085432257 1358498105 /nfs/dbraw/zinc/49/81/05/1358498105.db2.gz PTFCPPBOCIHXRH-WOJBJXKFSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085687560 1358688211 /nfs/dbraw/zinc/68/82/11/1358688211.db2.gz QQDHTKYBNAJXIH-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001085778749 1358753214 /nfs/dbraw/zinc/75/32/14/1358753214.db2.gz GMHLEOBGVZRMLC-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCCC2)CC[N@@H+]1C ZINC001085783118 1358758003 /nfs/dbraw/zinc/75/80/03/1358758003.db2.gz NCHOQVVMZMSTPS-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085856359 1358824333 /nfs/dbraw/zinc/82/43/33/1358824333.db2.gz XGBSYAVBZRWZAS-QZTJIDSGSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001086177198 1359016427 /nfs/dbraw/zinc/01/64/27/1359016427.db2.gz KFEWMKPBBBGADS-FRYIKTPZSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086453841 1359101412 /nfs/dbraw/zinc/10/14/12/1359101412.db2.gz GCIIJRJBQPLHQX-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086558651 1359145383 /nfs/dbraw/zinc/14/53/83/1359145383.db2.gz GUSCUJYSEOQHTB-QGZVKYPTSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086820210 1359208214 /nfs/dbraw/zinc/20/82/14/1359208214.db2.gz UQNFOBSFLPYHMT-XUVXKRRUSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001086842003 1359211477 /nfs/dbraw/zinc/21/14/77/1359211477.db2.gz JCYTXELDWQLDSF-AZUAARDMSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086882546 1359220341 /nfs/dbraw/zinc/22/03/41/1359220341.db2.gz WCTMSFCXVFBPEH-PKOBYXMFSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938441 1359261291 /nfs/dbraw/zinc/26/12/91/1359261291.db2.gz QCBSYJZDKUFLQH-OALUTQOASA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946553 1359267541 /nfs/dbraw/zinc/26/75/41/1359267541.db2.gz CFXSAVZQUMPKGZ-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001087201230 1359319144 /nfs/dbraw/zinc/31/91/44/1359319144.db2.gz HOWHPRIXJVVZHS-NEWSRXKRSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC(C)C ZINC001087572735 1359536944 /nfs/dbraw/zinc/53/69/44/1359536944.db2.gz DGMPIVGAMLUXLY-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640787 1359566310 /nfs/dbraw/zinc/56/63/10/1359566310.db2.gz XCWRYUBZFWPOOS-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087643112 1359568077 /nfs/dbraw/zinc/56/80/77/1359568077.db2.gz ZPXZOMTYJJNMHG-RBUKOAKNSA-N 2 0 342.487 3.353 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCC1CCCCCC1 ZINC001087828766 1359667360 /nfs/dbraw/zinc/66/73/60/1359667360.db2.gz VAMCRIBTIYVGSU-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845011 1359678537 /nfs/dbraw/zinc/67/85/37/1359678537.db2.gz AYSYPWWVJNAYOH-DLBZAZTESA-N 2 0 335.492 3.114 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109650 1359759198 /nfs/dbraw/zinc/75/91/98/1359759198.db2.gz QASNESRQBHJNQG-AABGKKOBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CCc2ccccc2N1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001323679817 1387421819 /nfs/dbraw/zinc/42/18/19/1387421819.db2.gz FKSNDIKYKYGZSO-KRWDZBQOSA-N 2 0 327.516 3.292 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088327570 1359831820 /nfs/dbraw/zinc/83/18/20/1359831820.db2.gz QHROJFNSBIVYPJ-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001088380163 1359862854 /nfs/dbraw/zinc/86/28/54/1359862854.db2.gz ARUZLCRNALJQPH-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088382019 1359865108 /nfs/dbraw/zinc/86/51/08/1359865108.db2.gz RYEZDECRYFIZPC-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001088382990 1359865391 /nfs/dbraw/zinc/86/53/91/1359865391.db2.gz RBVOTKDEBDAXTM-FUHWJXTLSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001088407655 1359879253 /nfs/dbraw/zinc/87/92/53/1359879253.db2.gz APKXTGWJHFYASG-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCCCCN(C(=O)C[NH+]3CCCC3)C2)cs1 ZINC001088426368 1359894654 /nfs/dbraw/zinc/89/46/54/1359894654.db2.gz SRGCNPORVCAGQB-SFHVURJKSA-N 2 0 349.544 3.013 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430732 1359898224 /nfs/dbraw/zinc/89/82/24/1359898224.db2.gz XBAZECZUPKUNED-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088430793 1359898412 /nfs/dbraw/zinc/89/84/12/1359898412.db2.gz YQDXWVJQZXCDEX-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431365 1359899112 /nfs/dbraw/zinc/89/91/12/1359899112.db2.gz RMPBDDAJFRUWMP-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001088567390 1359976547 /nfs/dbraw/zinc/97/65/47/1359976547.db2.gz KUNNYQFGIWLEGH-SJORKVTESA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567570 1359976982 /nfs/dbraw/zinc/97/69/82/1359976982.db2.gz WNATZDGLUXYYOT-AEFFLSMTSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088604962 1359988816 /nfs/dbraw/zinc/98/88/16/1359988816.db2.gz AXSMRLSLMFLMTL-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088605156 1359989057 /nfs/dbraw/zinc/98/90/57/1359989057.db2.gz JEKJAVQZCGKFFC-HOJAQTOUSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088970548 1360119610 /nfs/dbraw/zinc/11/96/10/1360119610.db2.gz FHHQSZLQTNUZTP-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CCC(C)(C)C ZINC001088971110 1360120146 /nfs/dbraw/zinc/12/01/46/1360120146.db2.gz CFLFZABPPFDNHJ-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001089061024 1360152821 /nfs/dbraw/zinc/15/28/21/1360152821.db2.gz UCODOVHVQRRTSW-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336514 1360349935 /nfs/dbraw/zinc/34/99/35/1360349935.db2.gz UWMFXISACYMELD-RTBURBONSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001184411597 1387452549 /nfs/dbraw/zinc/45/25/49/1387452549.db2.gz FJKHVPGGJJWLPZ-MOPGFXCFSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089399966 1360399722 /nfs/dbraw/zinc/39/97/22/1360399722.db2.gz AEGFWLYMOJFYDV-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089512011 1360483494 /nfs/dbraw/zinc/48/34/94/1360483494.db2.gz YASTXGUHEQJMFO-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089734067 1360638497 /nfs/dbraw/zinc/63/84/97/1360638497.db2.gz GZQJFJBSDMRNSO-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091112514 1360993868 /nfs/dbraw/zinc/99/38/68/1360993868.db2.gz VRTGUVKOGMWWAP-SOAGJPPSSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc(C(C)(C)C)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001184593092 1387498333 /nfs/dbraw/zinc/49/83/33/1387498333.db2.gz ZMGVTMGXAXTEOZ-UHFFFAOYSA-N 2 0 348.535 3.250 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC001323991980 1387505241 /nfs/dbraw/zinc/50/52/41/1387505241.db2.gz URARPPTWJTXGMX-DBVUQKKJSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092735754 1361449454 /nfs/dbraw/zinc/44/94/54/1361449454.db2.gz FMDDMNQMWGETDC-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)(C)C)CC3)CC1 ZINC001094503505 1361833224 /nfs/dbraw/zinc/83/32/24/1361833224.db2.gz IBDCFTAVKMQERC-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095605973 1362183407 /nfs/dbraw/zinc/18/34/07/1362183407.db2.gz MSGLJLNWCZTVEQ-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095695058 1362203378 /nfs/dbraw/zinc/20/33/78/1362203378.db2.gz GSXDPTNLMPMYSK-NJAFHUGGSA-N 2 0 340.471 3.106 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001096100896 1362383260 /nfs/dbraw/zinc/38/32/60/1362383260.db2.gz JRUOYHQIZLJPOX-RDGPPVDQSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001096313514 1362459972 /nfs/dbraw/zinc/45/99/72/1362459972.db2.gz IXKDOTGZHLNMLU-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCCC2)C1 ZINC001096538868 1362564708 /nfs/dbraw/zinc/56/47/08/1362564708.db2.gz PHAZCNFOZABHLM-ZRNYENFQSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001097210082 1362887127 /nfs/dbraw/zinc/88/71/27/1362887127.db2.gz OBXIIMBDTBEAJD-MKXGPGLRSA-N 2 0 349.563 3.122 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001098191201 1363250160 /nfs/dbraw/zinc/25/01/60/1363250160.db2.gz APZFUJAWGHGCEW-ZRNYENFQSA-N 2 0 349.563 3.409 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001098219672 1363258749 /nfs/dbraw/zinc/25/87/49/1363258749.db2.gz OQWHNKADJMJCKY-WTGUMLROSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001324458200 1387629439 /nfs/dbraw/zinc/62/94/39/1387629439.db2.gz XSWVEXUGJPATNZ-DLBZAZTESA-N 2 0 348.560 3.358 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001099075154 1363609495 /nfs/dbraw/zinc/60/94/95/1363609495.db2.gz VINQZFUNNMYEAU-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110982 1363628732 /nfs/dbraw/zinc/62/87/32/1363628732.db2.gz NHZFLSUUKRSIOK-JTHGQSKGSA-N 2 0 349.563 3.434 20 0 EGADRP CC1CC(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001099110938 1363629112 /nfs/dbraw/zinc/62/91/12/1363629112.db2.gz MIBUOMOSFFLPKQ-TVPLGVNVSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099198862 1363687650 /nfs/dbraw/zinc/68/76/50/1363687650.db2.gz GRQIZDYUQFCZNJ-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099199906 1363689062 /nfs/dbraw/zinc/68/90/62/1363689062.db2.gz RPSLAEGHHZSGQY-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCF)[NH+](CC)CC ZINC001099228883 1363701625 /nfs/dbraw/zinc/70/16/25/1363701625.db2.gz CLROUXDCTLSRBB-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099240514 1363709498 /nfs/dbraw/zinc/70/94/98/1363709498.db2.gz RYBBZDWCJJKHFM-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099276095 1363727119 /nfs/dbraw/zinc/72/71/19/1363727119.db2.gz NGJHGINIPCKYBR-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099309212 1363742453 /nfs/dbraw/zinc/74/24/53/1363742453.db2.gz BFFALZOWOWFBDU-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310905 1363743778 /nfs/dbraw/zinc/74/37/78/1363743778.db2.gz VTWKPJPEPLGDDW-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099334713 1363755932 /nfs/dbraw/zinc/75/59/32/1363755932.db2.gz MDDRRJSXCMNSGZ-AWTIPJNISA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340317 1363760606 /nfs/dbraw/zinc/76/06/06/1363760606.db2.gz RLSAMJAWGGJGSU-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001099453892 1363803564 /nfs/dbraw/zinc/80/35/64/1363803564.db2.gz VNDWOAZCQWQFDH-ZVDOUQERSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)(C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001100334080 1364082209 /nfs/dbraw/zinc/08/22/09/1364082209.db2.gz RNPNDTIXECLTQB-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100405877 1364104282 /nfs/dbraw/zinc/10/42/82/1364104282.db2.gz QNVJPTSALDYGEP-CTWPCTMYSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001100442373 1364116658 /nfs/dbraw/zinc/11/66/58/1364116658.db2.gz DRJXCSYQBUYSMB-LYBXBRPPSA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001100457270 1364120733 /nfs/dbraw/zinc/12/07/33/1364120733.db2.gz XCMUTTGFMGJRFL-MUYFXNHWSA-N 2 0 345.531 3.271 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471101 1364126724 /nfs/dbraw/zinc/12/67/24/1364126724.db2.gz OVWBHLQMBXCAFE-CTWPCTMYSA-N 2 0 337.552 3.027 20 0 EGADRP O=C(NCC1CC([NH2+]CCCC2CCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001100480054 1364129166 /nfs/dbraw/zinc/12/91/66/1364129166.db2.gz BFYHBHRZNFHAHM-UHFFFAOYSA-N 2 0 340.471 3.013 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001100900289 1364321595 /nfs/dbraw/zinc/32/15/95/1364321595.db2.gz ZHXAQXRVUCLOGY-GTPINHCMSA-N 2 0 349.494 3.103 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230762 1364476383 /nfs/dbraw/zinc/47/63/83/1364476383.db2.gz IGGQKDVHICOCES-SBHAEUEKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320752 1364508508 /nfs/dbraw/zinc/50/85/08/1364508508.db2.gz WRVGPXDRPRANHJ-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101418304 1364553645 /nfs/dbraw/zinc/55/36/45/1364553645.db2.gz LEPYDZFXKRUFHI-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464456 1364573232 /nfs/dbraw/zinc/57/32/32/1364573232.db2.gz JNGLLPAHFFQSLR-SBHAEUEKSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001101547447 1364611317 /nfs/dbraw/zinc/61/13/17/1364611317.db2.gz BDYPIWHLZKFWLJ-IBGZPJMESA-N 2 0 349.563 3.147 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101547454 1364611473 /nfs/dbraw/zinc/61/14/73/1364611473.db2.gz BJBWQQZVBWMQLL-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001101547448 1364611644 /nfs/dbraw/zinc/61/16/44/1364611644.db2.gz BDYPIWHLZKFWLJ-LJQANCHMSA-N 2 0 349.563 3.147 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001101554527 1364615908 /nfs/dbraw/zinc/61/59/08/1364615908.db2.gz CSZNYMCSMCWINB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001101569694 1364624504 /nfs/dbraw/zinc/62/45/04/1364624504.db2.gz KXEQPTIEGNMUBG-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001101573728 1364628468 /nfs/dbraw/zinc/62/84/68/1364628468.db2.gz AHZNHCMYHKRFMN-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001101594650 1364645648 /nfs/dbraw/zinc/64/56/48/1364645648.db2.gz JDMKWCFKRGCTNC-DKFQHHCZSA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001101596114 1364646807 /nfs/dbraw/zinc/64/68/07/1364646807.db2.gz JQRVMHPIHXAKGW-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001101598362 1364648791 /nfs/dbraw/zinc/64/87/91/1364648791.db2.gz IMXVPLUFUVKXNK-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102190667 1364924651 /nfs/dbraw/zinc/92/46/51/1364924651.db2.gz DVVKOGCQRBIWOI-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520496 1365097008 /nfs/dbraw/zinc/09/70/08/1365097008.db2.gz MWQBQESJJKONIG-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102525596 1365099286 /nfs/dbraw/zinc/09/92/86/1365099286.db2.gz KKLMSWIZWFAIMS-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001324661724 1387722305 /nfs/dbraw/zinc/72/23/05/1387722305.db2.gz OWROZVAGXIXBDS-QUCCMNQESA-N 2 0 331.504 3.060 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C[NH2+]C(C)C)[C@@H](C)C1 ZINC001185472937 1387724339 /nfs/dbraw/zinc/72/43/39/1387724339.db2.gz YCEXVZDYBKUYKG-OALUTQOASA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001103407767 1365542389 /nfs/dbraw/zinc/54/23/89/1365542389.db2.gz SIGGGUYGDUKENG-MISYRCLQSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438705 1365560873 /nfs/dbraw/zinc/56/08/73/1365560873.db2.gz XRGDNJHUIAALCL-PWBPZBFBSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC)C[C@H]1C ZINC001103631540 1365690222 /nfs/dbraw/zinc/69/02/22/1365690222.db2.gz SCTFCSPIROEVEB-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654937 1365705699 /nfs/dbraw/zinc/70/56/99/1365705699.db2.gz IUROJFAOCAMSNO-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CCNC(=O)CCC[NH+]1CCCCC1 ZINC001103732806 1365754367 /nfs/dbraw/zinc/75/43/67/1365754367.db2.gz VXUKUBMAGJUWKJ-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751856 1365763751 /nfs/dbraw/zinc/76/37/51/1365763751.db2.gz VEXMMZDUWCIKDH-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755518 1365765960 /nfs/dbraw/zinc/76/59/60/1365765960.db2.gz KDNRGFMIQKWHIW-TYFAACHXSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001104322510 1365980184 /nfs/dbraw/zinc/98/01/84/1365980184.db2.gz OGJJSKPNIKALHY-RLLQIKCJSA-N 2 0 349.563 3.147 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001104348286 1365982505 /nfs/dbraw/zinc/98/25/05/1365982505.db2.gz CILULALXIKQRPM-MISYRCLQSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104353834 1365983078 /nfs/dbraw/zinc/98/30/78/1365983078.db2.gz JBFOTZAYELHXIF-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185708553 1387783312 /nfs/dbraw/zinc/78/33/12/1387783312.db2.gz BKJAPYJQWCMQSW-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185708550 1387783542 /nfs/dbraw/zinc/78/35/42/1387783542.db2.gz BKJAPYJQWCMQSW-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001185728218 1387785215 /nfs/dbraw/zinc/78/52/15/1387785215.db2.gz DBZYVEJVQGQBLK-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001185729783 1387785421 /nfs/dbraw/zinc/78/54/21/1387785421.db2.gz JFKWHUOQJRNSQN-PSCPARJHSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001324834668 1387785978 /nfs/dbraw/zinc/78/59/78/1387785978.db2.gz SOVUUZVPHSYDGJ-AZUAARDMSA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394307 1366443379 /nfs/dbraw/zinc/44/33/79/1366443379.db2.gz TWYANZAURLADIS-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+](CC)CC)CCC1 ZINC001105568727 1366536839 /nfs/dbraw/zinc/53/68/39/1366536839.db2.gz XMKDRCGSZJJTHC-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001105570673 1366537665 /nfs/dbraw/zinc/53/76/65/1366537665.db2.gz XKOMXZNYLXLRIT-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001106378006 1366675489 /nfs/dbraw/zinc/67/54/89/1366675489.db2.gz CAQLSWLQIVTEKR-SJLPKXTDSA-N 2 0 342.487 3.212 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1)[NH+](CC)CC ZINC001106660353 1366768028 /nfs/dbraw/zinc/76/80/28/1366768028.db2.gz KFZGRQBKKWRAMF-KURKYZTESA-N 2 0 339.568 3.227 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106775462 1366794690 /nfs/dbraw/zinc/79/46/90/1366794690.db2.gz HUPNADSNRKXMQK-RTBURBONSA-N 2 0 337.552 3.149 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106884320 1366823145 /nfs/dbraw/zinc/82/31/45/1366823145.db2.gz CYFFKTTWAYNMJO-IAGOWNOFSA-N 2 0 346.519 3.026 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106900593 1366827867 /nfs/dbraw/zinc/82/78/67/1366827867.db2.gz ZTLLSCAWAWMRGR-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450139 1366968186 /nfs/dbraw/zinc/96/81/86/1366968186.db2.gz FGPXUASCFJNERT-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189311835 1366985353 /nfs/dbraw/zinc/98/53/53/1366985353.db2.gz NIKVKGCJGDSJFY-XLGQSGQMSA-N 2 0 347.547 3.140 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518355 1367015108 /nfs/dbraw/zinc/01/51/08/1367015108.db2.gz RZCRNLKTISBTGB-CTAFRAEOSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547409 1367036831 /nfs/dbraw/zinc/03/68/31/1367036831.db2.gz LVAYVBPYQOHMCT-QWFCFKBJSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399853 1367104174 /nfs/dbraw/zinc/10/41/74/1367104174.db2.gz ZMAQAPRFWAKRRK-CKZPPYNSSA-N 2 0 347.547 3.327 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109399517 1367104187 /nfs/dbraw/zinc/10/41/87/1367104187.db2.gz MRHPNRFZSDYUPI-ZRNYENFQSA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001186075227 1387860329 /nfs/dbraw/zinc/86/03/29/1387860329.db2.gz PPSGLGLOQXLNSJ-ZYHOBAKYSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174611 1367190400 /nfs/dbraw/zinc/19/04/00/1367190400.db2.gz GPVKEPXVAPCNEZ-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001190248152 1367208190 /nfs/dbraw/zinc/20/81/90/1367208190.db2.gz XMJJVNZQYSYYCP-OKZBNKHCSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCC3CC3)C2)CC1 ZINC001324971976 1387860450 /nfs/dbraw/zinc/86/04/50/1387860450.db2.gz MNEVBHYXQWPUHA-OAQYLSRUSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325093 1367227263 /nfs/dbraw/zinc/22/72/63/1367227263.db2.gz QNDXAVQQAOVWLB-IKLBINMZSA-N 2 0 347.547 3.142 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190443159 1367267143 /nfs/dbraw/zinc/26/71/43/1367267143.db2.gz FITHUFZPVQGFFT-IRXDYDNUSA-N 2 0 343.531 3.025 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724532 1367293528 /nfs/dbraw/zinc/29/35/28/1367293528.db2.gz XNKJKEGHYFHCSQ-YPMANSSXSA-N 2 0 349.563 3.432 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109728880 1367294575 /nfs/dbraw/zinc/29/45/75/1367294575.db2.gz IEEMTZZKQJQGCC-SQNIBIBYSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1)[NH+](C)C ZINC001109733600 1367295019 /nfs/dbraw/zinc/29/50/19/1367295019.db2.gz XRIWTWSSOQBWTM-XWSJACJDSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001190653102 1367317175 /nfs/dbraw/zinc/31/71/75/1367317175.db2.gz BYWFUCGJOAKIJP-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798576 1367328669 /nfs/dbraw/zinc/32/86/69/1367328669.db2.gz JDLFKNLBJRRMIZ-PUBDRRPBSA-N 2 0 347.547 3.327 20 0 EGADRP Cc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)ccc2c[nH+]cn21 ZINC001324978286 1387868494 /nfs/dbraw/zinc/86/84/94/1387868494.db2.gz VCFKSLHNFGEHCR-IBGZPJMESA-N 2 0 342.487 3.129 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879643 1367378858 /nfs/dbraw/zinc/37/88/58/1367378858.db2.gz FGGDKTJZJLGHCC-UOUNDWCUSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190997712 1367399752 /nfs/dbraw/zinc/39/97/52/1367399752.db2.gz YAFULUHGDKWDNT-OALUTQOASA-N 2 0 345.531 3.401 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080541 1367419337 /nfs/dbraw/zinc/41/93/37/1367419337.db2.gz INBRTSQMGYZBCY-GOSISDBHSA-N 2 0 342.487 3.225 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191137247 1367430644 /nfs/dbraw/zinc/43/06/44/1367430644.db2.gz VKJFDZMNMISMGX-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001110007090 1367455350 /nfs/dbraw/zinc/45/53/50/1367455350.db2.gz IBRRMSOSCSPEFF-AABGKKOBSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351585 1367481793 /nfs/dbraw/zinc/48/17/93/1367481793.db2.gz JGOSKZVMGQMICN-LPHOPBHVSA-N 2 0 342.487 3.163 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191352062 1367482813 /nfs/dbraw/zinc/48/28/13/1367482813.db2.gz PMZLSMVLIKRCRL-ZMBJWTFHSA-N 2 0 340.471 3.227 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507041 1367517035 /nfs/dbraw/zinc/51/70/35/1367517035.db2.gz GVFINDSZGZDFMH-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543785 1367525306 /nfs/dbraw/zinc/52/53/06/1367525306.db2.gz SKOPKXHGOGHLPB-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550313 1367526295 /nfs/dbraw/zinc/52/62/95/1367526295.db2.gz BKUJURRKOGZPEU-PKOBYXMFSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108764918 1367580559 /nfs/dbraw/zinc/58/05/59/1367580559.db2.gz DLBBURQIJOKZSK-BZSNNMDCSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784717 1367595036 /nfs/dbraw/zinc/59/50/36/1367595036.db2.gz YNMXMTKHHVBMGP-MRUBZEKTSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828329 1367623208 /nfs/dbraw/zinc/62/32/08/1367623208.db2.gz LWQKJAQOFQHHOD-ZCNNSNEGSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828344 1367623296 /nfs/dbraw/zinc/62/32/96/1367623296.db2.gz MRPFKWBUZSOYSP-FHWLQOOXSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045254 1367673634 /nfs/dbraw/zinc/67/36/34/1367673634.db2.gz BCLLVMTWSWREDI-RBUKOAKNSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1)[NH+](CC)CC ZINC001192325577 1367752375 /nfs/dbraw/zinc/75/23/75/1367752375.db2.gz LWSADZSFERGBSK-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1)[NH+](CC)CC ZINC001192325573 1367753064 /nfs/dbraw/zinc/75/30/64/1367753064.db2.gz LWSADZSFERGBSK-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192327021 1367753682 /nfs/dbraw/zinc/75/36/82/1367753682.db2.gz WBXFOBZBPZGGOY-ROUUACIJSA-N 2 0 325.541 3.220 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001192654261 1367843424 /nfs/dbraw/zinc/84/34/24/1367843424.db2.gz DYFTVUJQJFPHTC-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576479 1367843802 /nfs/dbraw/zinc/84/38/02/1367843802.db2.gz KWYQWNJVOVFZDO-ZRSRNVLSSA-N 2 0 335.536 3.019 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1)C(C)C ZINC001192917650 1367904354 /nfs/dbraw/zinc/90/43/54/1367904354.db2.gz PVNTUKRHCANMRJ-QZTJIDSGSA-N 2 0 343.531 3.025 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948644 1367909686 /nfs/dbraw/zinc/90/96/86/1367909686.db2.gz UUWUUVZOQRBUBA-OALUTQOASA-N 2 0 349.494 3.151 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110683184 1367925636 /nfs/dbraw/zinc/92/56/36/1367925636.db2.gz URRVKVRZWJSQMU-MKXGPGLRSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684581 1367926115 /nfs/dbraw/zinc/92/61/15/1367926115.db2.gz PTWJVRZWRPAHAL-MANSERQUSA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110738901 1367955617 /nfs/dbraw/zinc/95/56/17/1367955617.db2.gz YYAQVUNETYOAGA-ZACQAIPSSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771653 1367971956 /nfs/dbraw/zinc/97/19/56/1367971956.db2.gz YWTZEBKDGCNHDY-QRQLOZEOSA-N 2 0 340.471 3.106 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193291268 1367991174 /nfs/dbraw/zinc/99/11/74/1367991174.db2.gz HBQKUVHSRQZRPQ-HXUWFJFHSA-N 2 0 345.531 3.185 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424909 1368026517 /nfs/dbraw/zinc/02/65/17/1368026517.db2.gz RDYDCGMVACXXDD-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561147 1368062667 /nfs/dbraw/zinc/06/26/67/1368062667.db2.gz WOTNABXSXOSFAA-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001193569340 1368063525 /nfs/dbraw/zinc/06/35/25/1368063525.db2.gz AYMUXJXYPZVJJC-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571550 1368064244 /nfs/dbraw/zinc/06/42/44/1368064244.db2.gz TZJBECUZECLDJI-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001193569805 1368064762 /nfs/dbraw/zinc/06/47/62/1368064762.db2.gz DQJBDQCQWXIGMM-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193612170 1368074786 /nfs/dbraw/zinc/07/47/86/1368074786.db2.gz ZZUNMRPXUQSVHZ-ICSRJNTNSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979969 1368132686 /nfs/dbraw/zinc/13/26/86/1368132686.db2.gz KRRIGVNNPZDBIL-PILAGYSTSA-N 2 0 349.906 3.074 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994111 1368138245 /nfs/dbraw/zinc/13/82/45/1368138245.db2.gz OTEUBKTVYFEMJH-IJNPZQNSSA-N 2 0 335.536 3.041 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111021424 1368145034 /nfs/dbraw/zinc/14/50/34/1368145034.db2.gz TVDPWELPIPIXPV-TVFCKZIOSA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025229 1368145226 /nfs/dbraw/zinc/14/52/26/1368145226.db2.gz SEQUMPWVIFARFY-IWOQZAADSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229442 1368213344 /nfs/dbraw/zinc/21/33/44/1368213344.db2.gz XJPJUEAIPMYEDM-ICSRJNTNSA-N 2 0 343.515 3.156 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001194245525 1368216125 /nfs/dbraw/zinc/21/61/25/1368216125.db2.gz BTSIPAILXSIIMJ-GOSISDBHSA-N 2 0 349.494 3.034 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274439 1368221496 /nfs/dbraw/zinc/22/14/96/1368221496.db2.gz HULUXNHTDDTRSH-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH+](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001194293777 1368225154 /nfs/dbraw/zinc/22/51/54/1368225154.db2.gz JAAMSMWVPYQCDK-RTBURBONSA-N 2 0 345.531 3.237 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186355535 1387928462 /nfs/dbraw/zinc/92/84/62/1387928462.db2.gz FFZDKSVMAYJUAP-ROUKRRSUSA-N 2 0 343.515 3.299 20 0 EGADRP CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194409874 1368255239 /nfs/dbraw/zinc/25/52/39/1368255239.db2.gz QXKVWTYXARXFIA-MRXNPFEDSA-N 2 0 335.492 3.068 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001111466556 1368310845 /nfs/dbraw/zinc/31/08/45/1368310845.db2.gz ZQXJRZNERAVDNP-QRVBRYPASA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111463412 1368310952 /nfs/dbraw/zinc/31/09/52/1368310952.db2.gz PWSUFGRQCOEOOZ-YRXWBPOGSA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467441 1368311142 /nfs/dbraw/zinc/31/11/42/1368311142.db2.gz JDDUXVJCOBUNQP-CFXMGXPISA-N 2 0 347.547 3.185 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463570 1368312313 /nfs/dbraw/zinc/31/23/13/1368312313.db2.gz YYUGPAKFXGSIEM-YSTOQKLRSA-N 2 0 347.547 3.185 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1)c1ccccc1 ZINC001195214463 1368402768 /nfs/dbraw/zinc/40/27/68/1368402768.db2.gz WVWDZRPISAJWFZ-HKUYNNGSSA-N 2 0 345.531 3.164 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1)C(C)C ZINC001186427646 1387941126 /nfs/dbraw/zinc/94/11/26/1387941126.db2.gz IUANPYZNVRPGKN-UXHICEINSA-N 2 0 345.531 3.052 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1)C(C)C ZINC001186428591 1387941219 /nfs/dbraw/zinc/94/12/19/1387941219.db2.gz RXZAREDXZHJBGK-UXHICEINSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196620035 1368651185 /nfs/dbraw/zinc/65/11/85/1368651185.db2.gz SKNQONIGRRJYLG-UYAOXDASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](Cc2cccc(C)c2)CC1)[NH+](CC)CC ZINC001197133525 1368751696 /nfs/dbraw/zinc/75/16/96/1368751696.db2.gz CBPDIWUSXNYZKD-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353475 1368785015 /nfs/dbraw/zinc/78/50/15/1368785015.db2.gz KUNWFVNAHVVFOB-ZVDOUQERSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396899 1368822677 /nfs/dbraw/zinc/82/26/77/1368822677.db2.gz JCCYIHOOYMGRDM-YZKSSJSGSA-N 2 0 347.547 3.045 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](CC2=CCCCC2)CC1)C(C)C ZINC001197484431 1368824493 /nfs/dbraw/zinc/82/44/93/1368824493.db2.gz DHCHHXCKRXNVOJ-FQEVSTJZSA-N 2 0 349.563 3.388 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001112425389 1368841715 /nfs/dbraw/zinc/84/17/15/1368841715.db2.gz KWJGCNUDEOJHKH-WHVVTYLOSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112431227 1368846477 /nfs/dbraw/zinc/84/64/77/1368846477.db2.gz DMDGGZGSYVYDSO-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112518876 1368911330 /nfs/dbraw/zinc/91/13/30/1368911330.db2.gz HMLUGKNMIVLOCN-GXGIYUIGSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524477 1368913818 /nfs/dbraw/zinc/91/38/18/1368913818.db2.gz QLETVBQOIRYGLY-LYDDRXCESA-N 2 0 349.563 3.147 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529771 1368916039 /nfs/dbraw/zinc/91/60/39/1368916039.db2.gz OMPDSPWAZQPRMR-DYXWJJEUSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886351 1368919652 /nfs/dbraw/zinc/91/96/52/1368919652.db2.gz QBWHUGUGGWVERW-LJQANCHMSA-N 2 0 345.531 3.322 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CC2CCC(C)CC2)CC1 ZINC001197908083 1368923206 /nfs/dbraw/zinc/92/32/06/1368923206.db2.gz SWEGWZVSIPXTII-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001112555143 1368925946 /nfs/dbraw/zinc/92/59/46/1368925946.db2.gz BHMQRBYJCADTIP-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258809 1368991132 /nfs/dbraw/zinc/99/11/32/1368991132.db2.gz GQLJWZALCRCVAJ-PXDRNWIDSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258800 1368992348 /nfs/dbraw/zinc/99/23/48/1368992348.db2.gz GGIPULSZQIGPMT-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364453 1369017419 /nfs/dbraw/zinc/01/74/19/1369017419.db2.gz UVNNHKGYHRUROR-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112854976 1369048363 /nfs/dbraw/zinc/04/83/63/1369048363.db2.gz GFFQMHVLAUFCCJ-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1C ZINC001199170871 1369188167 /nfs/dbraw/zinc/18/81/67/1369188167.db2.gz PCHMIOMUSHRWSW-VOTSOKGWSA-N 2 0 329.532 3.241 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[NH+](CC3CCCCCC3)CC2)CCCC1 ZINC001113158760 1369233772 /nfs/dbraw/zinc/23/37/72/1369233772.db2.gz KKLRYPNCPQNGKJ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC/C=C/CC[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113159080 1369234190 /nfs/dbraw/zinc/23/41/90/1369234190.db2.gz WSJBNTGDVLUQHH-VOTSOKGWSA-N 2 0 335.536 3.142 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC001113644381 1369541089 /nfs/dbraw/zinc/54/10/89/1369541089.db2.gz UTZJIMHCYKHMJM-UHFFFAOYSA-N 2 0 347.547 3.287 20 0 EGADRP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CC(C)C)CC2 ZINC001201467933 1369550358 /nfs/dbraw/zinc/55/03/58/1369550358.db2.gz BUDZVXURFCGLJQ-MRXNPFEDSA-N 2 0 337.533 3.102 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201505524 1369558818 /nfs/dbraw/zinc/55/88/18/1369558818.db2.gz ZVNNBWQXWZZRPF-MJGOQNOKSA-N 2 0 331.504 3.183 20 0 EGADRP CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201544631 1369570034 /nfs/dbraw/zinc/57/00/34/1369570034.db2.gz RLCKLHZZNWQIRJ-NRDMVMEKSA-N 2 0 344.547 3.494 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(OC(F)F)cc3)cc[nH+]2)CC1 ZINC001201658989 1369597917 /nfs/dbraw/zinc/59/79/17/1369597917.db2.gz OKFWKLDGWKFPED-UHFFFAOYSA-N 2 0 334.370 3.178 20 0 EGADRP Cc1cccc(-n2nccc2Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201658285 1369598308 /nfs/dbraw/zinc/59/83/08/1369598308.db2.gz WBWLRJVMGQWMIZ-UHFFFAOYSA-N 2 0 348.454 3.071 20 0 EGADRP COc1c(Cl)cccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201659439 1369599037 /nfs/dbraw/zinc/59/90/37/1369599037.db2.gz YAYBXQYUSOJQKC-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP CC(=O)c1cc(Cl)ccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667606 1369601737 /nfs/dbraw/zinc/60/17/37/1369601737.db2.gz VQAJBZFLWUYSCI-UHFFFAOYSA-N 2 0 344.846 3.433 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001186982118 1388035398 /nfs/dbraw/zinc/03/53/98/1388035398.db2.gz XSLYZUGAXHZBKT-JVCKMAHQSA-N 2 0 335.536 3.188 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)C(C)C ZINC001202991060 1369947961 /nfs/dbraw/zinc/94/79/61/1369947961.db2.gz HUCTZVWFTFGQHM-GOSISDBHSA-N 2 0 343.531 3.073 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203029793 1369960870 /nfs/dbraw/zinc/96/08/70/1369960870.db2.gz VIKOFKCFGQJAOR-DFOOCIKTSA-N 2 0 347.547 3.234 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203044702 1369965282 /nfs/dbraw/zinc/96/52/82/1369965282.db2.gz PBLUWDIJJPYNPT-MSOLQXFVSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203100826 1369983399 /nfs/dbraw/zinc/98/33/99/1369983399.db2.gz ACVWOSOHLUHMBI-ROUUACIJSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203101746 1369983419 /nfs/dbraw/zinc/98/34/19/1369983419.db2.gz GBJBHHNVVPUTRF-SJORKVTESA-N 2 0 337.552 3.170 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104971 1369984604 /nfs/dbraw/zinc/98/46/04/1369984604.db2.gz UPUXFOODFIVVDI-IAGOWNOFSA-N 2 0 337.552 3.170 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115166 1369988185 /nfs/dbraw/zinc/98/81/85/1369988185.db2.gz SOLQLZVDIIUIQR-QZTJIDSGSA-N 2 0 347.547 3.212 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203231432 1370033774 /nfs/dbraw/zinc/03/37/74/1370033774.db2.gz SKHMJEJGPKCQMX-MOPGFXCFSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203255809 1370043867 /nfs/dbraw/zinc/04/38/67/1370043867.db2.gz FJBKHCANWPYPEC-MSOLQXFVSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH2+]CC=C(C)C)CC1)c1ccccc1 ZINC001203313928 1370078602 /nfs/dbraw/zinc/07/86/02/1370078602.db2.gz WBWMDLXXTCXOBU-FQEVSTJZSA-N 2 0 343.515 3.226 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001203407301 1370114704 /nfs/dbraw/zinc/11/47/04/1370114704.db2.gz JBNRUBGHEOBOGW-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420941 1370118613 /nfs/dbraw/zinc/11/86/13/1370118613.db2.gz XZTXBRUCKQUBQN-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419498 1370118899 /nfs/dbraw/zinc/11/88/99/1370118899.db2.gz LYALVPLIOVEMAN-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2)CC(C)(C)C ZINC001203426795 1370121347 /nfs/dbraw/zinc/12/13/47/1370121347.db2.gz QPTNJEMPGWSRPG-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428232 1370121744 /nfs/dbraw/zinc/12/17/44/1370121744.db2.gz XFJXBUVXXACDHY-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203462548 1370134711 /nfs/dbraw/zinc/13/47/11/1370134711.db2.gz ODKDGDYNYJOHBZ-NYQZOWANSA-N 2 0 347.547 3.092 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[C@@H]([NH2+]CCC(C)(C)C)C23CCC3)CC1 ZINC001203540312 1370162107 /nfs/dbraw/zinc/16/21/07/1370162107.db2.gz VGSLEFGZIOZHJC-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540212 1370162118 /nfs/dbraw/zinc/16/21/18/1370162118.db2.gz UIVKDRGMWBHHTE-LSLCWXNRSA-N 2 0 347.547 3.092 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632514 1370194345 /nfs/dbraw/zinc/19/43/45/1370194345.db2.gz UBRDBDKUDAAVAE-OSFIAYCASA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(CC)CC)C12CCC2 ZINC001203641769 1370198680 /nfs/dbraw/zinc/19/86/80/1370198680.db2.gz VDDJUUZGCZXEQT-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203791183 1370266449 /nfs/dbraw/zinc/26/64/49/1370266449.db2.gz DUWBOGYQQUBHTK-MOPGFXCFSA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853737 1370290288 /nfs/dbraw/zinc/29/02/88/1370290288.db2.gz XNODKWXJYPGWER-QHHIFSJYSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925874 1370316975 /nfs/dbraw/zinc/31/69/75/1370316975.db2.gz XHJDDDSFCIOSJQ-UHFFFAOYSA-N 2 0 345.531 3.231 20 0 EGADRP CC(=O)Oc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001203950965 1370327039 /nfs/dbraw/zinc/32/70/39/1370327039.db2.gz BGAZHHZCDMNVMY-OALUTQOASA-N 2 0 330.472 3.451 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204062080 1370364873 /nfs/dbraw/zinc/36/48/73/1370364873.db2.gz KNSYJCGWBSHXOY-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC001204243494 1370419844 /nfs/dbraw/zinc/41/98/44/1370419844.db2.gz VTNZLYCMFKZXDQ-MISYRCLQSA-N 2 0 325.456 3.407 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC001204243495 1370420170 /nfs/dbraw/zinc/42/01/70/1370420170.db2.gz VTNZLYCMFKZXDQ-YSIASYRMSA-N 2 0 325.456 3.407 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1 ZINC001204265004 1370425999 /nfs/dbraw/zinc/42/59/99/1370425999.db2.gz ZXMRMFDMJDFFNF-UYAOXDASSA-N 2 0 332.488 3.018 20 0 EGADRP CC[NH+]1CCC(C[N@H+](CCCC(=O)OC)Cc2ccccc2)CC1 ZINC001204288338 1370432784 /nfs/dbraw/zinc/43/27/84/1370432784.db2.gz SLTZEKIRRRAPNF-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115450442 1370458170 /nfs/dbraw/zinc/45/81/70/1370458170.db2.gz ASOGNJUUAOPDFB-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115451022 1370459421 /nfs/dbraw/zinc/45/94/21/1370459421.db2.gz XROOXHVBKCDDLB-OOFWQKGWSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)(C)[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001204604216 1370528981 /nfs/dbraw/zinc/52/89/81/1370528981.db2.gz HEKFPYYSPILQOZ-UHFFFAOYSA-N 2 0 339.483 3.176 20 0 EGADRP COCOc1cnc(-c2ccc(C[NH+](C)C)cc2)cc1/C=C/[NH+](C)C ZINC001204625969 1370532620 /nfs/dbraw/zinc/53/26/20/1370532620.db2.gz RZSBWSFERBAVCQ-ZHACJKMWSA-N 2 0 341.455 3.325 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CC(C)C3)CCCCC2)CC[N@@H+]1C ZINC001115545170 1370541611 /nfs/dbraw/zinc/54/16/11/1370541611.db2.gz VANKNOCNJYGTSP-WZOJCFFYSA-N 2 0 349.563 3.172 20 0 EGADRP Brc1ccc(CC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727663 1370556449 /nfs/dbraw/zinc/55/64/49/1370556449.db2.gz IUVCMPGFJSBLFK-UHFFFAOYSA-N 2 0 337.305 3.457 20 0 EGADRP [NH3+]CC[C@H]1C[N@H+](Cc2ccc3cc(Br)ccc3c2)CCO1 ZINC001204756654 1370568190 /nfs/dbraw/zinc/56/81/90/1370568190.db2.gz RCUNVHOEPMLISI-KRWDZBQOSA-N 2 0 349.272 3.152 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579637 1370583483 /nfs/dbraw/zinc/58/34/83/1370583483.db2.gz YFNYRTCQVOJVEY-SFHVURJKSA-N 2 0 337.552 3.460 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582087 1370584446 /nfs/dbraw/zinc/58/44/46/1370584446.db2.gz KBGZMUVRLZZXMH-KRWDZBQOSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001115592157 1370593404 /nfs/dbraw/zinc/59/34/04/1370593404.db2.gz WPDHYXHFHHLWJT-RBUKOAKNSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115598595 1370598975 /nfs/dbraw/zinc/59/89/75/1370598975.db2.gz UQTWJQOLOHRKQY-IBGZPJMESA-N 2 0 347.547 3.380 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001115648375 1370637363 /nfs/dbraw/zinc/63/73/63/1370637363.db2.gz NDFSXOPKPYJEPT-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cc1 ZINC001205053921 1370638554 /nfs/dbraw/zinc/63/85/54/1370638554.db2.gz VFKJEJJLRRQYSN-UHFFFAOYSA-N 2 0 338.451 3.311 20 0 EGADRP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1C ZINC001205074527 1370643240 /nfs/dbraw/zinc/64/32/40/1370643240.db2.gz ITAYMFOZVVZANU-FGZHOGPDSA-N 2 0 342.527 3.484 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001115697247 1370678536 /nfs/dbraw/zinc/67/85/36/1370678536.db2.gz APHNNXOOLNYONH-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP Cc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1F ZINC001205205858 1370679347 /nfs/dbraw/zinc/67/93/47/1370679347.db2.gz LBUUFOGULRLDJQ-UHFFFAOYSA-N 2 0 334.479 3.459 20 0 EGADRP Cc1ccccc1C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697765 1370679635 /nfs/dbraw/zinc/67/96/35/1370679635.db2.gz LJLBRIHMPAXEIP-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209139 1370681542 /nfs/dbraw/zinc/68/15/42/1370681542.db2.gz HUHYTHMINUJWEK-UTKZUKDTSA-N 2 0 332.532 3.338 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001205212019 1370683412 /nfs/dbraw/zinc/68/34/12/1370683412.db2.gz XDTGSSNDLMHBIU-FQEVSTJZSA-N 2 0 326.440 3.155 20 0 EGADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205220913 1370686144 /nfs/dbraw/zinc/68/61/44/1370686144.db2.gz NONUTIQPVKMEHW-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)ccc21 ZINC001205221203 1370686294 /nfs/dbraw/zinc/68/62/94/1370686294.db2.gz RFAJOBFUFCZQHH-NRFANRHFSA-N 2 0 337.467 3.007 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115708058 1370687732 /nfs/dbraw/zinc/68/77/32/1370687732.db2.gz LLTRFJLBQCUMHM-SNAWJCMRSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc([C@H]3CC[NH2+]C3)cc2)cn1 ZINC001205248055 1370694567 /nfs/dbraw/zinc/69/45/67/1370694567.db2.gz IQXQRQLDPOLIJZ-IBGZPJMESA-N 2 0 325.456 3.156 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2cccc(C3([NH3+])CCC3)c2)cn1 ZINC001205247631 1370695033 /nfs/dbraw/zinc/69/50/33/1370695033.db2.gz BSMINCXLGUDUJM-UHFFFAOYSA-N 2 0 325.456 3.417 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285354 1370706924 /nfs/dbraw/zinc/70/69/24/1370706924.db2.gz WGYMHWRWOLKQEQ-QZPVUJMKSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@]1([NH3+])CCC[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001205296895 1370711411 /nfs/dbraw/zinc/71/14/11/1370711411.db2.gz WERJBOHXYNDSKV-OAHLLOKOSA-N 2 0 326.366 3.285 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C[C@H]1C[NH3+] ZINC001205303973 1370714295 /nfs/dbraw/zinc/71/42/95/1370714295.db2.gz MAZNXFOTWHLVCH-DGCLKSJQSA-N 2 0 336.277 3.347 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccc3cc(Br)cnc32)C[C@H]1C[NH3+] ZINC001205315386 1370719018 /nfs/dbraw/zinc/71/90/18/1370719018.db2.gz FMOQASZGIZRMDU-SWLSCSKDSA-N 2 0 348.288 3.414 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205317346 1370720366 /nfs/dbraw/zinc/72/03/66/1370720366.db2.gz OCLKKAXBSWDVHG-VQIMIIECSA-N 2 0 340.467 3.388 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cnc3cc(Br)ccc3c2)C[C@@H]1C[NH3+] ZINC001205319479 1370721353 /nfs/dbraw/zinc/72/13/53/1370721353.db2.gz ZXKXGXKYAPUCHL-WFASDCNBSA-N 2 0 348.288 3.414 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)[NH+]1CCCCCC1 ZINC001115760800 1370745169 /nfs/dbraw/zinc/74/51/69/1370745169.db2.gz TYUIFVAXILISKR-QGZVFWFLSA-N 2 0 341.515 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(CC)CC)CC1 ZINC001205420468 1370749451 /nfs/dbraw/zinc/74/94/51/1370749451.db2.gz VOFUTUFGPZSCCF-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115765813 1370750470 /nfs/dbraw/zinc/75/04/70/1370750470.db2.gz GYFVIHMCNFPPTD-INIZCTEOSA-N 2 0 348.535 3.433 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001115802469 1370785434 /nfs/dbraw/zinc/78/54/34/1370785434.db2.gz UENXPLJXEPWOOV-UHFFFAOYSA-N 2 0 349.563 3.482 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205545642 1370786801 /nfs/dbraw/zinc/78/68/01/1370786801.db2.gz KZSSKUKOWACVMO-UXHICEINSA-N 3 0 333.495 3.052 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)n2)cc1 ZINC001205570467 1370795331 /nfs/dbraw/zinc/79/53/31/1370795331.db2.gz KHILLTACPMWJKX-HXUWFJFHSA-N 2 0 343.446 3.410 20 0 EGADRP c1cc(N2CC[NH2+]CC2)ccc1-c1cncc(C[NH+]2CCCCC2)c1 ZINC001205573535 1370796278 /nfs/dbraw/zinc/79/62/78/1370796278.db2.gz BUUBVLKDXLEDPS-UHFFFAOYSA-N 2 0 336.483 3.144 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205578426 1370797966 /nfs/dbraw/zinc/79/79/66/1370797966.db2.gz BOLYQZNYRCENJM-KRWDZBQOSA-N 2 0 342.842 3.170 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001205578439 1370798125 /nfs/dbraw/zinc/79/81/25/1370798125.db2.gz BYFDPGRUEFOIIV-QGZVFWFLSA-N 2 0 336.842 3.179 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001205578924 1370798479 /nfs/dbraw/zinc/79/84/79/1370798479.db2.gz KGOHSZOZTBEJPL-KRWDZBQOSA-N 2 0 336.842 3.179 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001205591283 1370802973 /nfs/dbraw/zinc/80/29/73/1370802973.db2.gz JOUZRCOEFTUGRR-OAHLLOKOSA-N 2 0 344.356 3.235 20 0 EGADRP C[C@H]1CC[N@H+](CCc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC001205601638 1370806645 /nfs/dbraw/zinc/80/66/45/1370806645.db2.gz FMFRUGFSEFNTDB-ZFWWWQNUSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC[C@H]1C[NH3+] ZINC001205616556 1370811689 /nfs/dbraw/zinc/81/16/89/1370811689.db2.gz GDGQYKLTHFGTOL-RYUDHWBXSA-N 2 0 340.393 3.389 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1OC(F)F ZINC001205618606 1370812663 /nfs/dbraw/zinc/81/26/63/1370812663.db2.gz XPEAHBXPGDVXLP-GXTWGEPZSA-N 2 0 328.403 3.103 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205626913 1370816102 /nfs/dbraw/zinc/81/61/02/1370816102.db2.gz KPQRIIUSFGONHD-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205652033 1370828213 /nfs/dbraw/zinc/82/82/13/1370828213.db2.gz NQCWNZRNGRYTPP-KGLIPLIRSA-N 2 0 338.879 3.324 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)c2)cc1 ZINC001205673000 1370838266 /nfs/dbraw/zinc/83/82/66/1370838266.db2.gz NNJCJXILNLMLKC-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP C[NH+](C)Cc1cc(-c2ccc(CC[NH+]3CCOCC3)cc2)ccc1F ZINC001205680244 1370841690 /nfs/dbraw/zinc/84/16/90/1370841690.db2.gz XLCUVUQRPOYSBF-UHFFFAOYSA-N 2 0 342.458 3.429 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700905 1370846107 /nfs/dbraw/zinc/84/61/07/1370846107.db2.gz ZYCQMLKVCIZWAX-ONEGZZNKSA-N 2 0 340.471 3.132 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001116208783 1370860048 /nfs/dbraw/zinc/86/00/48/1370860048.db2.gz HPWYRGNCGORQRP-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001205759184 1370861530 /nfs/dbraw/zinc/86/15/30/1370861530.db2.gz KDZNKVQEETZSRQ-UHFFFAOYSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205762744 1370864200 /nfs/dbraw/zinc/86/42/00/1370864200.db2.gz MRBNNURBYGKDDY-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205764766 1370864321 /nfs/dbraw/zinc/86/43/21/1370864321.db2.gz ZUZSXWWJBPPRHE-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(CN3CCC(F)(F)[C@H](C[NH3+])C3)cc21 ZINC001205795988 1370874743 /nfs/dbraw/zinc/87/47/43/1370874743.db2.gz MQCIDRCKLRCLJG-MRXNPFEDSA-N 2 0 335.442 3.104 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC001116289415 1370879352 /nfs/dbraw/zinc/87/93/52/1370879352.db2.gz VQXKOFKHIBCXAZ-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205902114 1370905386 /nfs/dbraw/zinc/90/53/86/1370905386.db2.gz IDACFCJHSPMMJF-QFBILLFUSA-N 2 0 326.488 3.107 20 0 EGADRP CCC1(CC)[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1OC ZINC001116475686 1370920412 /nfs/dbraw/zinc/92/04/12/1370920412.db2.gz CHSYBSJPKQJSKV-UXHICEINSA-N 2 0 345.531 3.122 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1OC ZINC001205992525 1370932248 /nfs/dbraw/zinc/93/22/48/1370932248.db2.gz DZSIQZGMXLNCLN-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c(F)cccc2Br)CCC[C@H]1C[NH3+] ZINC001205996187 1370933443 /nfs/dbraw/zinc/93/34/43/1370933443.db2.gz VUJMDDFQFJSMLR-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206005227 1370935775 /nfs/dbraw/zinc/93/57/75/1370935775.db2.gz XDPOBRAQYMITPB-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206013056 1370938421 /nfs/dbraw/zinc/93/84/21/1370938421.db2.gz PBVCDGSTRNIOFG-UKRRQHHQSA-N 2 0 338.879 3.324 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC001206013821 1370939322 /nfs/dbraw/zinc/93/93/22/1370939322.db2.gz ULFIONGZOKNMRJ-GXTWGEPZSA-N 2 0 341.293 3.265 20 0 EGADRP CC(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206023439 1370941217 /nfs/dbraw/zinc/94/12/17/1370941217.db2.gz QAGTUGAOMKZRKW-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2Oc2cnccn2)CCC[C@H]1C[NH3+] ZINC001206027882 1370942315 /nfs/dbraw/zinc/94/23/15/1370942315.db2.gz XAWFDLHMMLFCSA-HOTGVXAUSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206026561 1370942632 /nfs/dbraw/zinc/94/26/32/1370942632.db2.gz SVAJFAIIGYQDKS-YPMHNXCESA-N 2 0 332.366 3.098 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1Cl ZINC001206036612 1370944513 /nfs/dbraw/zinc/94/45/13/1370944513.db2.gz MFWNNVLMZTVRFV-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1C[N@H+](Cc2cccnc2OCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001206036050 1370944802 /nfs/dbraw/zinc/94/48/02/1370944802.db2.gz FSQALNJAKZUBBX-PKOBYXMFSA-N 2 0 339.483 3.467 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1OCC1CC1 ZINC001206036705 1370945104 /nfs/dbraw/zinc/94/51/04/1370945104.db2.gz ONRWAYQFLAKHEP-DOTOQJQBSA-N 2 0 332.488 3.291 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206274665 1371010285 /nfs/dbraw/zinc/01/02/85/1371010285.db2.gz LFGUZNAMJQPFFW-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2N)CC1 ZINC001206311794 1371017505 /nfs/dbraw/zinc/01/75/05/1371017505.db2.gz VHGOHPUMRKJNNT-HNNXBMFYSA-N 2 0 331.382 3.118 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318955 1371019887 /nfs/dbraw/zinc/01/98/87/1371019887.db2.gz VPSCPDBSXVDRKH-INIZCTEOSA-N 2 0 341.293 3.409 20 0 EGADRP CN(C)c1ncccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001117576635 1371054537 /nfs/dbraw/zinc/05/45/37/1371054537.db2.gz JWZJACDDGVIQHN-UHFFFAOYSA-N 2 0 330.520 3.236 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482078 1371068264 /nfs/dbraw/zinc/06/82/64/1371068264.db2.gz OMNMAVDFDYTLIF-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(C)c1-c1ccc(F)cc1F ZINC001206491775 1371071044 /nfs/dbraw/zinc/07/10/44/1371071044.db2.gz LOMWDYIGLDKSKH-HNAYVOBHSA-N 2 0 346.421 3.000 20 0 EGADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)c(Br)cc1F ZINC001206506613 1371076521 /nfs/dbraw/zinc/07/65/21/1371076521.db2.gz HINAMXDWMPCVNQ-UHFFFAOYSA-N 2 0 329.257 3.457 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(Br)cn2)CC1 ZINC001206526814 1371084393 /nfs/dbraw/zinc/08/43/93/1371084393.db2.gz KJPBMQXCWFOMRT-UHFFFAOYSA-N 2 0 340.309 3.396 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206549226 1371090227 /nfs/dbraw/zinc/09/02/27/1371090227.db2.gz WJGLZVXOFWRLBW-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC001206581445 1371099497 /nfs/dbraw/zinc/09/94/97/1371099497.db2.gz IWGXAMYRPZABFS-WMZOPIPTSA-N 2 0 332.488 3.446 20 0 EGADRP COC(=O)c1cccc2[nH]cc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c21 ZINC001206591638 1371102050 /nfs/dbraw/zinc/10/20/50/1371102050.db2.gz UNMANFNVFRXMID-MRXNPFEDSA-N 2 0 343.471 3.307 20 0 EGADRP COC(=O)c1ccc2c(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c[nH]c2c1 ZINC001206591001 1371102066 /nfs/dbraw/zinc/10/20/66/1371102066.db2.gz OYVIQLZFYGMZTK-QGZVFWFLSA-N 2 0 343.471 3.307 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001206621945 1371110483 /nfs/dbraw/zinc/11/04/83/1371110483.db2.gz NWPUMABYZLEOSM-JXMROGBWSA-N 2 0 343.943 3.079 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC001117942827 1371111068 /nfs/dbraw/zinc/11/10/68/1371111068.db2.gz GSNZNLMJDKHLJF-INIZCTEOSA-N 2 0 347.478 3.480 20 0 EGADRP CCOc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ccc1OC(=O)C(C)C ZINC001206631838 1371114611 /nfs/dbraw/zinc/11/46/11/1371114611.db2.gz AUZCDPSIOZLSKU-KRWDZBQOSA-N 2 0 348.487 3.208 20 0 EGADRP CCOc1cccc(CN2CCCC[C@H](C[NH3+])C2)c1Br ZINC001206646380 1371117952 /nfs/dbraw/zinc/11/79/52/1371117952.db2.gz BHJMQIZVHPTXNM-CYBMUJFWSA-N 2 0 341.293 3.409 20 0 EGADRP Cc1cccc2c(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)[nH]nc21 ZINC001206749620 1371153107 /nfs/dbraw/zinc/15/31/07/1371153107.db2.gz JLGCVDZOEHUYPB-UHFFFAOYSA-N 2 0 334.467 3.364 20 0 EGADRP C[C@@H]1CC[C@H](C[NH3+])CN1Cc1c(Br)[nH]c2ccccc21 ZINC001206767656 1371157494 /nfs/dbraw/zinc/15/74/94/1371157494.db2.gz DEYLAWIWJVCQDL-VXGBXAGGSA-N 2 0 336.277 3.490 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)n2)cc1 ZINC001206770092 1371159836 /nfs/dbraw/zinc/15/98/36/1371159836.db2.gz QPXBJSZWGHAOET-JKSUJKDBSA-N 2 0 325.456 3.316 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206883097 1371205358 /nfs/dbraw/zinc/20/53/58/1371205358.db2.gz QPRTUDSHVMFPKT-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001206929197 1371229612 /nfs/dbraw/zinc/22/96/12/1371229612.db2.gz YTENCSVZTOKHNB-OALUTQOASA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951452 1371243127 /nfs/dbraw/zinc/24/31/27/1371243127.db2.gz RNHJYEYPYHTJAO-ONEGZZNKSA-N 2 0 335.536 3.047 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCCC[C@H]2N(C)C)CC1 ZINC001119238027 1371288288 /nfs/dbraw/zinc/28/82/88/1371288288.db2.gz VUQQIYMQFWHPLH-QZTJIDSGSA-N 2 0 331.504 3.126 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)CCC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207230658 1371335398 /nfs/dbraw/zinc/33/53/98/1371335398.db2.gz CAPSJNFPJYICOV-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP COC(=O)c1cccc(C2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001207288554 1371351521 /nfs/dbraw/zinc/35/15/21/1371351521.db2.gz SJTZSEIWVQKLCM-UHFFFAOYSA-N 2 0 332.488 3.240 20 0 EGADRP CCCCN1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291374 1371352871 /nfs/dbraw/zinc/35/28/71/1371352871.db2.gz PGUIJUNPPCNBSV-UHFFFAOYSA-N 2 0 329.532 3.316 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C12CCC[NH+]1CCC2 ZINC001119504352 1371356572 /nfs/dbraw/zinc/35/65/72/1371356572.db2.gz DZSXHWMASIHLJT-UHFFFAOYSA-N 2 0 327.472 3.239 20 0 EGADRP CCN1CCC([N@H+](C)C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207316040 1371358798 /nfs/dbraw/zinc/35/87/98/1371358798.db2.gz WMZUHAYGYRNTJK-KRWDZBQOSA-N 2 0 339.524 3.192 20 0 EGADRP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001207400700 1371385336 /nfs/dbraw/zinc/38/53/36/1371385336.db2.gz AZFMNPOXBXWSQH-IBGZPJMESA-N 2 0 330.472 3.342 20 0 EGADRP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCc3nccn3CC2)CC1 ZINC001207410947 1371386890 /nfs/dbraw/zinc/38/68/90/1371386890.db2.gz FJYBCCJTCSROTB-GOSISDBHSA-N 2 0 331.504 3.409 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207436653 1371395562 /nfs/dbraw/zinc/39/55/62/1371395562.db2.gz GUSGTAIHRVITRD-ACRUOGEOSA-N 2 0 327.516 3.097 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC001207485232 1371411147 /nfs/dbraw/zinc/41/11/47/1371411147.db2.gz SOAROEVXPOXQHB-UHFFFAOYSA-N 2 0 344.528 3.150 20 0 EGADRP COc1cccc(CCC[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001207572754 1371439104 /nfs/dbraw/zinc/43/91/04/1371439104.db2.gz FSBMSPKICBUIRC-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c(Cl)nc4ccccn43)C[C@@H]2C1 ZINC001119990764 1371444941 /nfs/dbraw/zinc/44/49/41/1371444941.db2.gz YNEATYBWKLUPBK-QLFBSQMISA-N 2 0 332.879 3.150 20 0 EGADRP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCCC3CCCCC3)CC[C@@H]21 ZINC001207608515 1371451560 /nfs/dbraw/zinc/45/15/60/1371451560.db2.gz VHRQDGQQDPUHLW-AABGKKOBSA-N 2 0 345.535 3.033 20 0 EGADRP C[C@H](F)CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120189673 1371502859 /nfs/dbraw/zinc/50/28/59/1371502859.db2.gz NQXLBGVSSLXXJX-KRWDZBQOSA-N 2 0 341.515 3.019 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)CCC[NH+]3CCCC3)CCCCC2)C1 ZINC001120190153 1371503375 /nfs/dbraw/zinc/50/33/75/1371503375.db2.gz SUDUXNTXOLRYGP-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120207859 1371504809 /nfs/dbraw/zinc/50/48/09/1371504809.db2.gz JGQXCVPWTQTLBG-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120239873 1371511065 /nfs/dbraw/zinc/51/10/65/1371511065.db2.gz IKKBZTZDGOMYHI-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868219 1371525810 /nfs/dbraw/zinc/52/58/10/1371525810.db2.gz MCJLKIKEBMLLPJ-FRQCXROJSA-N 2 0 342.487 3.067 20 0 EGADRP Cc1ccc(CCC[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)o1 ZINC001207944237 1371544652 /nfs/dbraw/zinc/54/46/52/1371544652.db2.gz OFZZNRBQNHIUBH-HXUWFJFHSA-N 2 0 334.504 3.343 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001207956570 1371550020 /nfs/dbraw/zinc/55/00/20/1371550020.db2.gz ANAZFHGBRXKWHB-GFOJFJKKSA-N 2 0 343.515 3.183 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC)C1 ZINC001120429804 1371573041 /nfs/dbraw/zinc/57/30/41/1371573041.db2.gz BLNNWQCELWWUIQ-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439608 1371577162 /nfs/dbraw/zinc/57/71/62/1371577162.db2.gz HJIKTNARLJROIN-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120450624 1371581761 /nfs/dbraw/zinc/58/17/61/1371581761.db2.gz XIZKKISLVAEDBZ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001208110831 1371597535 /nfs/dbraw/zinc/59/75/35/1371597535.db2.gz HBCHUZPMFNRIKE-UHFFFAOYSA-N 2 0 341.543 3.316 20 0 EGADRP COc1ccccc1OC1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208109573 1371597713 /nfs/dbraw/zinc/59/77/13/1371597713.db2.gz PHFJUQXCHMCQEV-UHFFFAOYSA-N 2 0 332.488 3.270 20 0 EGADRP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208112137 1371598840 /nfs/dbraw/zinc/59/88/40/1371598840.db2.gz RMYDKBXJKMGAPV-KRWDZBQOSA-N 2 0 332.488 3.172 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128942 1371604524 /nfs/dbraw/zinc/60/45/24/1371604524.db2.gz MCUDYEJSLDRNIZ-IEBWSBKVSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001120582339 1371622462 /nfs/dbraw/zinc/62/24/62/1371622462.db2.gz IASMCYXOAPCOEK-AWEZNQCLSA-N 2 0 337.895 3.379 20 0 EGADRP Cc1ccc(C2(O)CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)cc1 ZINC001208182452 1371624728 /nfs/dbraw/zinc/62/47/28/1371624728.db2.gz VLCKKTGLMINYRL-UHFFFAOYSA-N 2 0 330.516 3.400 20 0 EGADRP Cc1cccnc1N1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208193089 1371632635 /nfs/dbraw/zinc/63/26/35/1371632635.db2.gz ZSOVIHDMOZMPSB-UHFFFAOYSA-N 2 0 330.520 3.024 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208261736 1371689135 /nfs/dbraw/zinc/68/91/35/1371689135.db2.gz RERZUVOCEJTLGH-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208330691 1371720417 /nfs/dbraw/zinc/72/04/17/1371720417.db2.gz COEXHLHNEXKTIX-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474665 1371781526 /nfs/dbraw/zinc/78/15/26/1371781526.db2.gz OAKCPYDHERRFFV-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C)[NH+](CC)CC ZINC001208575798 1371824642 /nfs/dbraw/zinc/82/46/42/1371824642.db2.gz VMCWZNFUKIRAKC-MISYRCLQSA-N 2 0 345.531 3.052 20 0 EGADRP CCC[NH+]1C[C@@H]2CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592936 1371832741 /nfs/dbraw/zinc/83/27/41/1371832741.db2.gz ZLJPSEHADYRBPZ-VSKRKVRLSA-N 2 0 341.543 3.315 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001208610306 1371839150 /nfs/dbraw/zinc/83/91/50/1371839150.db2.gz PHAGUTCWIDVCCT-NJYVYQBISA-N 2 0 343.515 3.042 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208748759 1371883657 /nfs/dbraw/zinc/88/36/57/1371883657.db2.gz LIQKNPQPZBLEBV-VOFKWLDRSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001208918807 1371944174 /nfs/dbraw/zinc/94/41/74/1371944174.db2.gz KTCJSMOTROQYRV-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121348338 1371946228 /nfs/dbraw/zinc/94/62/28/1371946228.db2.gz WHCMJKULYXTURO-CGAYHSHTSA-N 2 0 349.563 3.170 20 0 EGADRP O[C@]1(CF)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208930405 1371949314 /nfs/dbraw/zinc/94/93/14/1371949314.db2.gz AXYBNWGPMXCUDB-WOJBJXKFSA-N 2 0 334.479 3.085 20 0 EGADRP O[C@@]1(CF)CCCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931251 1371950244 /nfs/dbraw/zinc/95/02/44/1371950244.db2.gz IPTKQWIKIONRDC-VQTJNVASSA-N 2 0 334.479 3.085 20 0 EGADRP OC[C@]1(F)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208931520 1371950586 /nfs/dbraw/zinc/95/05/86/1371950586.db2.gz KYYDFEKLRCKZDM-UXHICEINSA-N 2 0 334.479 3.085 20 0 EGADRP CCOC(=O)CC1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940759 1371956397 /nfs/dbraw/zinc/95/63/97/1371956397.db2.gz GJSDNLWGRLRPDD-FQEVSTJZSA-N 2 0 344.499 3.174 20 0 EGADRP CC1([NH+]2CCCC2)CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208955859 1371962788 /nfs/dbraw/zinc/96/27/88/1371962788.db2.gz FXMGNFKMZYTFCB-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@@H](C)CC)C3)C1 ZINC001121616688 1372026791 /nfs/dbraw/zinc/02/67/91/1372026791.db2.gz OGKLLADMUAXPEG-IAAUGFHKSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209222557 1372042567 /nfs/dbraw/zinc/04/25/67/1372042567.db2.gz JWUBTSBODZKQIG-HKUYNNGSSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209414387 1372099831 /nfs/dbraw/zinc/09/98/31/1372099831.db2.gz LVQOJIFOTUWLTQ-SEVLPDGMSA-N 2 0 332.532 3.103 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121867281 1372108673 /nfs/dbraw/zinc/10/86/73/1372108673.db2.gz MFHCZODMSVKBFL-MBEFBZSESA-N 2 0 349.563 3.312 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001121935789 1372126942 /nfs/dbraw/zinc/12/69/42/1372126942.db2.gz URIFHOSBRIRHJK-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP c1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001209554118 1372136253 /nfs/dbraw/zinc/13/62/53/1372136253.db2.gz WOFNUIKECSHMGX-ROUUACIJSA-N 2 0 327.497 3.487 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651181 1372161610 /nfs/dbraw/zinc/16/16/10/1372161610.db2.gz NRNOCCHIIGVLAA-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122101358 1372174418 /nfs/dbraw/zinc/17/44/18/1372174418.db2.gz LRPVPAQYZGMYLT-FPLPWBNLSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122242743 1372210292 /nfs/dbraw/zinc/21/02/92/1372210292.db2.gz MZOQJRQCABZBBS-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209941206 1372237624 /nfs/dbraw/zinc/23/76/24/1372237624.db2.gz TXOFPIUHHKQYPY-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001209951876 1372240021 /nfs/dbraw/zinc/24/00/21/1372240021.db2.gz OGCIYWLNTDWIAS-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC001326445502 1388190781 /nfs/dbraw/zinc/19/07/81/1388190781.db2.gz WZQMUUXPKNFUKT-FMKPAKJESA-N 2 0 336.549 3.247 20 0 EGADRP Fc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc(C(F)(F)F)c1 ZINC001210266430 1372310570 /nfs/dbraw/zinc/31/05/70/1372310570.db2.gz KHNPQLMWCZEOQT-UHFFFAOYSA-N 2 0 340.324 3.393 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC001210499287 1372367083 /nfs/dbraw/zinc/36/70/83/1372367083.db2.gz VMRSVPKUKLGUEH-JTDSTZFVSA-N 2 0 349.494 3.055 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584396 1372384940 /nfs/dbraw/zinc/38/49/40/1372384940.db2.gz GYEHLVUONYAFLG-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001210586670 1372385278 /nfs/dbraw/zinc/38/52/78/1372385278.db2.gz ZVXBNRNLVISGIJ-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593884 1372386403 /nfs/dbraw/zinc/38/64/03/1372386403.db2.gz GZBHUTWOAOQLIF-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1)c1ccccc1 ZINC001210645793 1372399348 /nfs/dbraw/zinc/39/93/48/1372399348.db2.gz UPPSNDLULGPQPW-OCECCIJISA-N 2 0 349.906 3.013 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001210742654 1372417083 /nfs/dbraw/zinc/41/70/83/1372417083.db2.gz CZCGGDLSHOGVRT-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750725 1372419345 /nfs/dbraw/zinc/41/93/45/1372419345.db2.gz JBZSRIICPMQEQL-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001210773482 1372424139 /nfs/dbraw/zinc/42/41/39/1372424139.db2.gz LJKHBJCRDLYUIR-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001210796799 1372427993 /nfs/dbraw/zinc/42/79/93/1372427993.db2.gz KJCNAJZEXGXVJM-UYAOXDASSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094585 1372484739 /nfs/dbraw/zinc/48/47/39/1372484739.db2.gz HKYUOKBLFSTNEY-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]CCCCCF)C2)c1 ZINC001211239711 1372509550 /nfs/dbraw/zinc/50/95/50/1372509550.db2.gz CUMPACYLISTCGT-LJQANCHMSA-N 2 0 349.494 3.082 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262047 1372514912 /nfs/dbraw/zinc/51/49/12/1372514912.db2.gz KTMUTXBYFAWFRL-WYNBNGFRSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1cc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)cc(C(F)(F)F)c1 ZINC001212335834 1372689479 /nfs/dbraw/zinc/68/94/79/1372689479.db2.gz MFCKOIBNSZAHCZ-HNNXBMFYSA-N 2 0 342.365 3.367 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001326507769 1388223347 /nfs/dbraw/zinc/22/33/47/1388223347.db2.gz JTQAPWIYMUHVEM-CADBVGFASA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636257 1373093616 /nfs/dbraw/zinc/09/36/16/1373093616.db2.gz GIYRQHYIWOPQIT-QWFCFKBJSA-N 2 0 347.547 3.044 20 0 EGADRP C[NH2+]Cc1cccc(Nc2c(F)cccc2N2CC[NH+](C)CC2)c1F ZINC001216226721 1373285425 /nfs/dbraw/zinc/28/54/25/1373285425.db2.gz WLJCWLSRMBLGQC-UHFFFAOYSA-N 2 0 346.425 3.180 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC001216231324 1373286520 /nfs/dbraw/zinc/28/65/20/1373286520.db2.gz XVDYSFPTQCBKHH-UHFFFAOYSA-N 2 0 342.462 3.383 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772945 1373341440 /nfs/dbraw/zinc/34/14/40/1373341440.db2.gz RCIKFMOLESZBQR-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834590 1373349500 /nfs/dbraw/zinc/34/95/00/1373349500.db2.gz UCZHPTULPNTPCZ-CQQBRXBZSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC001129328719 1373372727 /nfs/dbraw/zinc/37/27/27/1373372727.db2.gz RVIKTBRHGQTFKJ-RBUKOAKNSA-N 2 0 345.531 3.048 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129416486 1373381582 /nfs/dbraw/zinc/38/15/82/1373381582.db2.gz IGPAOXJIXNLBSP-MSOLQXFVSA-N 2 0 331.504 3.025 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001129422427 1373382148 /nfs/dbraw/zinc/38/21/48/1373382148.db2.gz IKKOMFVRUIMGOZ-OALUTQOASA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001129954021 1373440026 /nfs/dbraw/zinc/44/00/26/1373440026.db2.gz XDQNKRGIJSQYBY-UZLBHIALSA-N 2 0 341.499 3.193 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl)[NH+](C)C ZINC001130203601 1373473892 /nfs/dbraw/zinc/47/38/92/1373473892.db2.gz QRGRTMDEIGMAGD-XHDPSFHLSA-N 2 0 346.302 3.100 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001130299771 1373487406 /nfs/dbraw/zinc/48/74/06/1373487406.db2.gz CKGCPNAGNNYNFW-VQIMIIECSA-N 2 0 331.504 3.061 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217755238 1373498868 /nfs/dbraw/zinc/49/88/68/1373498868.db2.gz FWJZRWNWGVACRF-KEYYUXOJSA-N 2 0 334.851 3.297 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1cccc(F)c1 ZINC001130622280 1373570981 /nfs/dbraw/zinc/57/09/81/1373570981.db2.gz AUJFRPYQQWSUBV-HNNXBMFYSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)c1cccc(Cl)c1 ZINC001130867907 1373599820 /nfs/dbraw/zinc/59/98/20/1373599820.db2.gz UCJYNIBTNDQOLI-CYBMUJFWSA-N 2 0 342.830 3.068 20 0 EGADRP [NH3+]CCc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218410758 1373609295 /nfs/dbraw/zinc/60/92/95/1373609295.db2.gz MOBSNSDOGSDXDT-SFHVURJKSA-N 2 0 330.859 3.495 20 0 EGADRP CC[C@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]C1 ZINC001326664069 1388271884 /nfs/dbraw/zinc/27/18/84/1388271884.db2.gz MPNQVVIEEAGWBX-NRFANRHFSA-N 2 0 343.515 3.069 20 0 EGADRP CC1(C)C[C@H](Oc2nc3cc(F)ccc3n2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001218476453 1373621286 /nfs/dbraw/zinc/62/12/86/1373621286.db2.gz YUFDALNLMJJMAU-OAHLLOKOSA-N 2 0 346.450 3.009 20 0 EGADRP Cc1ccc(OC(C)C)cc1NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001218967938 1373671955 /nfs/dbraw/zinc/67/19/55/1373671955.db2.gz BMTKGEDNIJOBNN-KRWDZBQOSA-N 2 0 335.492 3.216 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@@H]3C[C@@H](c4ccccc4)CC[NH2+]3)cc2)CCC1 ZINC001218973323 1373672941 /nfs/dbraw/zinc/67/29/41/1373672941.db2.gz YBSIHDUOHQLGAQ-PXNSSMCTSA-N 2 0 349.478 3.499 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)c3csc([C@@H]4CCC[NH2+]4)n3)cc2)CCC1 ZINC001218973798 1373672971 /nfs/dbraw/zinc/67/29/71/1373672971.db2.gz NAWHWVGLAPGBKM-AWEZNQCLSA-N 2 0 342.468 3.158 20 0 EGADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)cc2scnc21 ZINC001219186681 1373693242 /nfs/dbraw/zinc/69/32/42/1373693242.db2.gz SJCFJGIXNIBUMU-AWEZNQCLSA-N 2 0 334.489 3.039 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC001220220750 1373758774 /nfs/dbraw/zinc/75/87/74/1373758774.db2.gz DAFCYENBMJXZNO-UFYCRDLUSA-N 2 0 339.483 3.219 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001221374491 1373771052 /nfs/dbraw/zinc/77/10/52/1373771052.db2.gz MUYRXAGVEXSLKB-ZWKOTPCHSA-N 2 0 331.504 3.284 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848317 1373797665 /nfs/dbraw/zinc/79/76/65/1373797665.db2.gz JZNGHQJMITWLHM-XUVXKRRUSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CCCCC2)cc1C ZINC001131799142 1373809709 /nfs/dbraw/zinc/80/97/09/1373809709.db2.gz JVAAXKXVCMGFMH-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223116324 1375032894 /nfs/dbraw/zinc/03/28/94/1375032894.db2.gz SVSRQJHBFMOEAD-APWZRJJASA-N 2 0 340.471 3.061 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001225542705 1375122007 /nfs/dbraw/zinc/12/20/07/1375122007.db2.gz MYBWGVFRYIVEIB-CALCHBBNSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1CC[NH+](CCCC2CCC2)CC1 ZINC001225557252 1375123715 /nfs/dbraw/zinc/12/37/15/1375123715.db2.gz INHBSTOEVFWASU-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP CC1(C)CC(C[NH+]2CCC(CNC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001225557881 1375124703 /nfs/dbraw/zinc/12/47/03/1375124703.db2.gz UYUIOJOSGOQVHK-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1CCCC1 ZINC001132105177 1375150724 /nfs/dbraw/zinc/15/07/24/1375150724.db2.gz BXLQIRZYJNWNSL-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CCC1CC1 ZINC001132141532 1375167135 /nfs/dbraw/zinc/16/71/35/1375167135.db2.gz RLHJSIUCUSRDEU-FUHWJXTLSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132152339 1375171706 /nfs/dbraw/zinc/17/17/06/1375171706.db2.gz ADCJWMCKGXOFJE-WMZOPIPTSA-N 2 0 342.487 3.353 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCC2)C1 ZINC001132152785 1375172777 /nfs/dbraw/zinc/17/27/77/1375172777.db2.gz IVHBIDXGVXQKCV-FUHWJXTLSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132154166 1375174419 /nfs/dbraw/zinc/17/44/19/1375174419.db2.gz XMXXRXQKLNHESL-HZPDHXFCSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CCCCCF ZINC001132153914 1375174476 /nfs/dbraw/zinc/17/44/76/1375174476.db2.gz VBBGHBVQMWLPLL-DOTOQJQBSA-N 2 0 346.450 3.057 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132202047 1375205625 /nfs/dbraw/zinc/20/56/25/1375205625.db2.gz BJQFQXIRZBOYHY-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132203344 1375206972 /nfs/dbraw/zinc/20/69/72/1375206972.db2.gz ORSAMPFBPSXWJE-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)CC[N@@H+]1C ZINC001226333242 1375241556 /nfs/dbraw/zinc/24/15/56/1375241556.db2.gz GNAHUCKNFDGWHN-VBSBHUPXSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCCC1CCCC1 ZINC001132265824 1375256005 /nfs/dbraw/zinc/25/60/05/1375256005.db2.gz TYBKAMFMTMHOCE-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCC1CCCCCC1 ZINC001132277080 1375261396 /nfs/dbraw/zinc/26/13/96/1375261396.db2.gz AQIPEPXTDPXVIC-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001132283655 1375267862 /nfs/dbraw/zinc/26/78/62/1375267862.db2.gz BJPUCHBMXFHSHA-QGZVFWFLSA-N 2 0 345.531 3.451 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001226555021 1375281264 /nfs/dbraw/zinc/28/12/64/1375281264.db2.gz WKFGLTHPDUIEER-RCCFBDPRSA-N 2 0 343.531 3.120 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(C)C)C1 ZINC001132366245 1375332777 /nfs/dbraw/zinc/33/27/77/1375332777.db2.gz YYMRJQRTEGHZGE-ZWKOTPCHSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380742 1375340182 /nfs/dbraw/zinc/34/01/82/1375340182.db2.gz OQKORCLYWCHVOX-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)oc1C ZINC001327069706 1388372375 /nfs/dbraw/zinc/37/23/75/1388372375.db2.gz ZRNMXPXMBJXSCD-KRWDZBQOSA-N 2 0 341.499 3.495 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132411357 1375359916 /nfs/dbraw/zinc/35/99/16/1375359916.db2.gz YKIFHAYLUQYGMF-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CCCCC1 ZINC001132433818 1375377942 /nfs/dbraw/zinc/37/79/42/1375377942.db2.gz QMOJCKLYLBXSJM-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132435376 1375379713 /nfs/dbraw/zinc/37/97/13/1375379713.db2.gz CICVJJUAPRDVJE-CSXIPAGWSA-N 2 0 343.515 3.011 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132436997 1375380846 /nfs/dbraw/zinc/38/08/46/1375380846.db2.gz ORXXMZXXNHSSFU-JNVNVXKGSA-N 2 0 337.552 3.434 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCC2)C1 ZINC001132437047 1375381511 /nfs/dbraw/zinc/38/15/11/1375381511.db2.gz PMDSXTFEOQGZOK-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2CC)C1 ZINC001132440562 1375385791 /nfs/dbraw/zinc/38/57/91/1375385791.db2.gz CIBUAHHMCZLDEE-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227090911 1375387637 /nfs/dbraw/zinc/38/76/37/1375387637.db2.gz IDIJUIBXSOWECT-AXTJNSDUSA-N 2 0 335.536 3.234 20 0 EGADRP Cc1cc(C)cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517335 1375435437 /nfs/dbraw/zinc/43/54/37/1375435437.db2.gz BCPVOVDXSTZIGM-ICSRJNTNSA-N 2 0 345.531 3.113 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001227900642 1375488759 /nfs/dbraw/zinc/48/87/59/1375488759.db2.gz WZOQDSADAUHWGO-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001132738269 1375538101 /nfs/dbraw/zinc/53/81/01/1375538101.db2.gz XWEIHIVTGIGUQG-SFHVURJKSA-N 2 0 337.552 3.031 20 0 EGADRP O=C(NCC[NH2+]CCCC1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790607 1375565809 /nfs/dbraw/zinc/56/58/09/1375565809.db2.gz IOJCYTGBGCLNSP-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001228646374 1375625907 /nfs/dbraw/zinc/62/59/07/1375625907.db2.gz DXXXJXALIYDRCA-QNPNSKACSA-N 2 0 343.515 3.057 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950913 1375668070 /nfs/dbraw/zinc/66/80/70/1375668070.db2.gz RTIFAEYPPUKIRM-WWAPKCSDSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001228852532 1375694586 /nfs/dbraw/zinc/69/45/86/1375694586.db2.gz IVKRSHVUAJIHKN-LUNNPTDRSA-N 2 0 335.536 3.044 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cccnc1N(C)C ZINC001327140609 1388398396 /nfs/dbraw/zinc/39/83/96/1388398396.db2.gz XHOOWUKVALHKRL-UHFFFAOYSA-N 2 0 326.488 3.279 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001229172055 1375780065 /nfs/dbraw/zinc/78/00/65/1375780065.db2.gz UZQYZGSUEWOWER-HKUYNNGSSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001229496959 1375846600 /nfs/dbraw/zinc/84/66/00/1375846600.db2.gz ZKKUTANWPXNWHZ-KFKAGJAMSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)c1ccccc1 ZINC001229651979 1375871930 /nfs/dbraw/zinc/87/19/30/1375871930.db2.gz GIVPUZXTPNLCGL-VAMGGRTRSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133263414 1375880275 /nfs/dbraw/zinc/88/02/75/1375880275.db2.gz UZKCBQHGGAGWBQ-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001230360379 1376009087 /nfs/dbraw/zinc/00/90/87/1376009087.db2.gz ZWSGSPWNZLJPET-UHFFFAOYSA-N 2 0 349.494 3.082 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1)[NH+](CC)CC ZINC001230598259 1376093028 /nfs/dbraw/zinc/09/30/28/1376093028.db2.gz JEHDFUDFDPQRLH-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+]2CC2CCC2)CC1 ZINC001230617545 1376103627 /nfs/dbraw/zinc/10/36/27/1376103627.db2.gz CMTYFEVRDCWASZ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628511 1376106218 /nfs/dbraw/zinc/10/62/18/1376106218.db2.gz ITSQDBDUTRTJBG-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C)[NH+](CC)CC ZINC001133690771 1376157291 /nfs/dbraw/zinc/15/72/91/1376157291.db2.gz VYXGUJYMPNLEOG-IEBWSBKVSA-N 2 0 333.520 3.191 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001133845804 1376228398 /nfs/dbraw/zinc/22/83/98/1376228398.db2.gz NOARCNPKKORAML-DLBZAZTESA-N 2 0 345.531 3.093 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+]CCC2=CCCCC2)cc1 ZINC001133893977 1376254387 /nfs/dbraw/zinc/25/43/87/1376254387.db2.gz QIIBLPFJYVHYOZ-UHFFFAOYSA-N 2 0 343.515 3.001 20 0 EGADRP C[N@H+](CC(=O)NCC[NH2+]Cc1cccc2ccccc21)CC(C)(C)C ZINC001133899670 1376256295 /nfs/dbraw/zinc/25/62/95/1376256295.db2.gz RIDXJBPONHUBRL-UHFFFAOYSA-N 2 0 341.499 3.024 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001133908253 1376260304 /nfs/dbraw/zinc/26/03/04/1376260304.db2.gz JEVQPPMMVWMAAH-QGZVFWFLSA-N 2 0 333.520 3.048 20 0 EGADRP Cc1sc2ccccc2c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001231643847 1376291224 /nfs/dbraw/zinc/29/12/24/1376291224.db2.gz LHAVGSQFHMWVMC-UHFFFAOYSA-N 2 0 343.540 3.422 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])C2CCCCC2)cc1 ZINC001327196804 1388437865 /nfs/dbraw/zinc/43/78/65/1388437865.db2.gz WWDCHARWCWAGLI-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019179 1376387004 /nfs/dbraw/zinc/38/70/04/1376387004.db2.gz XMNMFTBYLIZHJE-BBRMVZONSA-N 2 0 344.459 3.441 20 0 EGADRP Nc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cn1 ZINC001232367388 1376451601 /nfs/dbraw/zinc/45/16/01/1376451601.db2.gz IFOMTWNWUBPWAC-UHFFFAOYSA-N 2 0 342.512 3.213 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001327212539 1388444888 /nfs/dbraw/zinc/44/48/88/1388444888.db2.gz HEBKDRRDYFHCAF-SFHVURJKSA-N 2 0 345.531 3.321 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001134583004 1376608670 /nfs/dbraw/zinc/60/86/70/1376608670.db2.gz COXSUANHSVMSPQ-DLBZAZTESA-N 2 0 345.531 3.106 20 0 EGADRP Clc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)o1 ZINC001233314030 1376610609 /nfs/dbraw/zinc/61/06/09/1376610609.db2.gz CTYXQXREUUYVBX-UHFFFAOYSA-N 2 0 326.868 3.257 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001134766857 1376709792 /nfs/dbraw/zinc/70/97/92/1376709792.db2.gz OCIYSMJZOONMFK-UXHICEINSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001134767039 1376709805 /nfs/dbraw/zinc/70/98/05/1376709805.db2.gz QCPIJXJZXRKKSV-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001134767309 1376710260 /nfs/dbraw/zinc/71/02/60/1376710260.db2.gz VOMAJRVNHPYVTR-MOPGFXCFSA-N 2 0 331.504 3.106 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)c1 ZINC001134772883 1376712246 /nfs/dbraw/zinc/71/22/46/1376712246.db2.gz IQOVUIXVFPKCCH-IRXDYDNUSA-N 2 0 347.547 3.352 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134889304 1376769709 /nfs/dbraw/zinc/76/97/09/1376769709.db2.gz SEKITVXGLBNNIY-DOOVEFGSSA-N 2 0 328.460 3.177 20 0 EGADRP CCCCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235035243 1376832871 /nfs/dbraw/zinc/83/28/71/1376832871.db2.gz DZFQZNULJOMANU-TZIWHRDSSA-N 2 0 346.515 3.456 20 0 EGADRP Oc1cccc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC001235427742 1376870740 /nfs/dbraw/zinc/87/07/40/1376870740.db2.gz NBDPIRPETJJBMZ-SJORKVTESA-N 2 0 325.456 3.152 20 0 EGADRP COc1ncc(C2CC2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430895 1376871526 /nfs/dbraw/zinc/87/15/26/1376871526.db2.gz YKNUQYNDFFGUKH-IAGOWNOFSA-N 2 0 329.488 3.179 20 0 EGADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2nccn2c1 ZINC001235431161 1376871668 /nfs/dbraw/zinc/87/16/68/1376871668.db2.gz LGUBLVZJOQPDIM-HUUCEWRRSA-N 2 0 332.879 3.199 20 0 EGADRP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430152 1376872182 /nfs/dbraw/zinc/87/21/82/1376872182.db2.gz FZXQVTNSNBQDJW-IAGOWNOFSA-N 2 0 332.488 3.306 20 0 EGADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C[C@@H]2CCCC[NH2+]2)C3)c1 ZINC001235630244 1376878448 /nfs/dbraw/zinc/87/84/48/1376878448.db2.gz WWSIOPFALIQEEP-PMACEKPBSA-N 2 0 331.479 3.008 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081114 1376884198 /nfs/dbraw/zinc/88/41/98/1376884198.db2.gz GYARCDNFCNDVNA-DLBZAZTESA-N 2 0 343.531 3.264 20 0 EGADRP Clc1ccc([C@@H]2C[NH2+]CCN2Cc2cccc3c[nH+]cn32)cc1 ZINC001235814742 1376897794 /nfs/dbraw/zinc/89/77/94/1376897794.db2.gz MUWZCWPHGGKLGT-SFHVURJKSA-N 2 0 326.831 3.134 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100676 1376898059 /nfs/dbraw/zinc/89/80/59/1376898059.db2.gz FXKCKNVCYFJGDF-DLBZAZTESA-N 2 0 345.531 3.077 20 0 EGADRP COc1c(CN(CC[NH3+])CC[NH3+])cc(C(C)(C)C)cc1C(C)(C)C ZINC001235878477 1376908757 /nfs/dbraw/zinc/90/87/57/1376908757.db2.gz ZMAMOLYCPVWCCS-UHFFFAOYSA-N 2 0 335.536 3.010 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884118 1376910034 /nfs/dbraw/zinc/91/00/34/1376910034.db2.gz VGFAJIRCHTWRSV-MAUKXSAKSA-N 2 0 330.472 3.058 20 0 EGADRP [NH3+]Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC001235887685 1376910860 /nfs/dbraw/zinc/91/08/60/1376910860.db2.gz HEGHFXXDUDMUON-UHFFFAOYSA-N 2 0 329.875 3.117 20 0 EGADRP c1ccc(CN(C[C@@H]2CC[NH2+]2)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235947343 1376921538 /nfs/dbraw/zinc/92/15/38/1376921538.db2.gz AGTDUCWCLFAOFL-VXKWHMMOSA-N 2 0 335.495 3.125 20 0 EGADRP Clc1ccc(OC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC001235969518 1376924462 /nfs/dbraw/zinc/92/44/62/1376924462.db2.gz AYGYKEMGNUSDIP-GFCCVEGCSA-N 2 0 329.271 3.446 20 0 EGADRP c1ccc2c(c1)oc1ccc(C[NH+]3CCC(N4CC[NH2+]CC4)CC3)cc12 ZINC001236128933 1376934628 /nfs/dbraw/zinc/93/46/28/1376934628.db2.gz QRHMCADXHMGPPZ-UHFFFAOYSA-N 2 0 349.478 3.456 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001135179915 1376953442 /nfs/dbraw/zinc/95/34/42/1376953442.db2.gz BQJROTFIOHZJAL-MSOLQXFVSA-N 2 0 345.531 3.242 20 0 EGADRP COc1ccccc1C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701362 1376961150 /nfs/dbraw/zinc/96/11/50/1376961150.db2.gz RFCVYYKTHOVDQY-IHPCNDPISA-N 3 0 345.531 3.157 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1occc1C[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001135299339 1377026915 /nfs/dbraw/zinc/02/69/15/1377026915.db2.gz WGKGHVZZJJAFFZ-CABCVRRESA-N 2 0 349.519 3.264 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135307701 1377029004 /nfs/dbraw/zinc/02/90/04/1377029004.db2.gz HWYNWNZPKZBUOO-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314863 1377033672 /nfs/dbraw/zinc/03/36/72/1377033672.db2.gz IEVHKGUIPQJMLL-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP COc1cc(CC[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)cc(OC)c1 ZINC001246157261 1377050368 /nfs/dbraw/zinc/05/03/68/1377050368.db2.gz BRZYPRLEFTUMMH-QGZVFWFLSA-N 2 0 332.488 3.291 20 0 EGADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001246293508 1377051189 /nfs/dbraw/zinc/05/11/89/1377051189.db2.gz RYIHELCPGJOJPF-MSOLQXFVSA-N 2 0 330.472 3.193 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246545210 1377052418 /nfs/dbraw/zinc/05/24/18/1377052418.db2.gz UWCAICCCSASITM-WMLDXEAASA-N 2 0 343.298 3.026 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246543287 1377052520 /nfs/dbraw/zinc/05/25/20/1377052520.db2.gz MLCFWSIMUOPSJS-PBHICJAKSA-N 2 0 343.298 3.026 20 0 EGADRP CC[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722084 1377053092 /nfs/dbraw/zinc/05/30/92/1377053092.db2.gz GXVFWTHEHVXXQF-LXZJYRNTSA-N 2 0 329.488 3.093 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CCN([C@@H]4C[NH2+][C@H](C)C4)CC3)CC2)cc1 ZINC001246716315 1377053608 /nfs/dbraw/zinc/05/36/08/1377053608.db2.gz UNOFRFYRPZVBGX-CTNGQTDRSA-N 2 0 341.543 3.423 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135374972 1377061121 /nfs/dbraw/zinc/06/11/21/1377061121.db2.gz HQGPDFYENPCTDS-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001135375448 1377061374 /nfs/dbraw/zinc/06/13/74/1377061374.db2.gz LYBAJQCLDCIQAH-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1OC(F)(F)F ZINC001249987423 1377080950 /nfs/dbraw/zinc/08/09/50/1377080950.db2.gz VUOODMNLXYIOAF-UHFFFAOYSA-N 2 0 346.393 3.367 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135437158 1377097119 /nfs/dbraw/zinc/09/71/19/1377097119.db2.gz PMDJBRYZHDYLGC-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475483 1377110112 /nfs/dbraw/zinc/11/01/12/1377110112.db2.gz BDUFOHLMQRDGQC-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476391 1377110820 /nfs/dbraw/zinc/11/08/20/1377110820.db2.gz KFUWIGJPEYNNAM-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001257100199 1377113316 /nfs/dbraw/zinc/11/33/16/1377113316.db2.gz AQIQDWJHEKISBH-HOTGVXAUSA-N 2 0 327.513 3.096 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614039 1377162335 /nfs/dbraw/zinc/16/23/35/1377162335.db2.gz LIUXUXWQFFOJDE-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC(C)(C)C ZINC001135614597 1377162961 /nfs/dbraw/zinc/16/29/61/1377162961.db2.gz XEFZBZWRSYTGMW-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135705304 1377190105 /nfs/dbraw/zinc/19/01/05/1377190105.db2.gz ABQGLXAMDWQMRQ-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135705824 1377190306 /nfs/dbraw/zinc/19/03/06/1377190306.db2.gz JPYHNVCTPDSZKH-IAGOWNOFSA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2cccc(C)c2)C1 ZINC001266116103 1377192682 /nfs/dbraw/zinc/19/26/82/1377192682.db2.gz FNQZKFAALOWVGU-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001135824788 1377222544 /nfs/dbraw/zinc/22/25/44/1377222544.db2.gz XOTGZLXQDXTVCC-QZTJIDSGSA-N 2 0 345.531 3.180 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135860824 1377237860 /nfs/dbraw/zinc/23/78/60/1377237860.db2.gz HZMFIEDQOLBKGD-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135860707 1377238111 /nfs/dbraw/zinc/23/81/11/1377238111.db2.gz GOERGKNEHVDNFO-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135860551 1377238286 /nfs/dbraw/zinc/23/82/86/1377238286.db2.gz DKVTUEDZAQWWTP-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944945 1377273704 /nfs/dbraw/zinc/27/37/04/1377273704.db2.gz SQOBDNHAPSNCQY-PIIXRYACSA-N 2 0 346.519 3.381 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135980495 1377286184 /nfs/dbraw/zinc/28/61/84/1377286184.db2.gz PCAVEQJFNWGPFG-IRXDYDNUSA-N 2 0 339.568 3.418 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135980167 1377286217 /nfs/dbraw/zinc/28/62/17/1377286217.db2.gz LXDUMIRYLIHYLP-IAGOWNOFSA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135980479 1377286487 /nfs/dbraw/zinc/28/64/87/1377286487.db2.gz OSUXOVBGURDKHG-OBIQQPLYSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001135995990 1377292287 /nfs/dbraw/zinc/29/22/87/1377292287.db2.gz PENXELNBNBIXLS-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001135997123 1377293134 /nfs/dbraw/zinc/29/31/34/1377293134.db2.gz YRYSUHFAWNDIDN-ZWKOTPCHSA-N 2 0 337.552 3.482 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(Cl)cn1 ZINC001136931685 1377442132 /nfs/dbraw/zinc/44/21/32/1377442132.db2.gz PMBFZQOJFGNENG-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001267603977 1377463695 /nfs/dbraw/zinc/46/36/95/1377463695.db2.gz BWMXCUQDMRKSRH-MJGOQNOKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001269291525 1377548066 /nfs/dbraw/zinc/54/80/66/1377548066.db2.gz GPUGVTWRLYSEOE-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP COc1cccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535354 1377562370 /nfs/dbraw/zinc/56/23/70/1377562370.db2.gz JEVSSFAXINLCKJ-RTBURBONSA-N 2 0 337.467 3.044 20 0 EGADRP Fc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001137741749 1377608027 /nfs/dbraw/zinc/60/80/27/1377608027.db2.gz VFSXFEXKTXBHNY-UHFFFAOYSA-N 2 0 325.431 3.319 20 0 EGADRP Cc1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c2ccccc12 ZINC001138016673 1377665455 /nfs/dbraw/zinc/66/54/55/1377665455.db2.gz MOPPREGPSHIGPG-UHFFFAOYSA-N 2 0 325.500 3.218 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001138319205 1377700793 /nfs/dbraw/zinc/70/07/93/1377700793.db2.gz LOBFWKQQHLVFAM-HXUWFJFHSA-N 2 0 345.531 3.056 20 0 EGADRP CC[N@H+](CCn1ccnc1)Cc1ccc(OC(F)F)c(OC)c1 ZINC001138555875 1377741665 /nfs/dbraw/zinc/74/16/65/1377741665.db2.gz VRJFJSXRUCXYJG-UHFFFAOYSA-N 2 0 325.359 3.015 20 0 EGADRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC001138588671 1377748899 /nfs/dbraw/zinc/74/88/99/1377748899.db2.gz WLYFMBIFEUISBB-OALUTQOASA-N 2 0 346.478 3.409 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1-c1cncnc1)CC2 ZINC001140021574 1377991394 /nfs/dbraw/zinc/99/13/94/1377991394.db2.gz WORNLZDLCOPNJA-UHFFFAOYSA-N 2 0 336.483 3.451 20 0 EGADRP Cc1cccc(Cl)c1C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275634030 1378149259 /nfs/dbraw/zinc/14/92/59/1378149259.db2.gz IBXIULXQVKYDMR-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)CC1 ZINC001276491953 1378176073 /nfs/dbraw/zinc/17/60/73/1378176073.db2.gz QJESNWDIYOILPC-UHFFFAOYSA-N 3 0 344.547 3.035 20 0 EGADRP Cc1csc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276777409 1378187912 /nfs/dbraw/zinc/18/79/12/1378187912.db2.gz TXWZKJXSPGZQNH-UHFFFAOYSA-N 2 0 330.501 3.268 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](C)CC2)CCC1(F)F ZINC001140969939 1378195558 /nfs/dbraw/zinc/19/55/58/1378195558.db2.gz AFHMXHPGIRQFGB-INIZCTEOSA-N 2 0 337.458 3.306 20 0 EGADRP CCOC(=O)CCC[NH+]1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277881508 1378249322 /nfs/dbraw/zinc/24/93/22/1378249322.db2.gz XYOIEANQSSKGKM-UHFFFAOYSA-N 2 0 347.503 3.036 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141191112 1378263059 /nfs/dbraw/zinc/26/30/59/1378263059.db2.gz HJLUZPGKEJANQZ-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP CCc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001141226790 1378276591 /nfs/dbraw/zinc/27/65/91/1378276591.db2.gz HSDIUWHTYYEPRJ-YADHBBJMSA-N 2 0 342.527 3.429 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001141548859 1378343325 /nfs/dbraw/zinc/34/33/25/1378343325.db2.gz LURLITLBKNUVJS-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001280770502 1378372555 /nfs/dbraw/zinc/37/25/55/1378372555.db2.gz QYGFMAOYSRJMEB-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H]1CCC[C@](CNC(=O)CC[N@H+](C)C2CCCCC2)([NH+](C)C)C1 ZINC001142065130 1378409830 /nfs/dbraw/zinc/40/98/30/1378409830.db2.gz LJPWVMICILBOJT-PXNSSMCTSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001143140076 1378546399 /nfs/dbraw/zinc/54/63/99/1378546399.db2.gz ICJPONZGKZZWFC-ZWKOTPCHSA-N 2 0 339.568 3.323 20 0 EGADRP C[NH+]1CCC(CC(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)CC1 ZINC001143359166 1378587096 /nfs/dbraw/zinc/58/70/96/1378587096.db2.gz CHCOCOCGDYHUQZ-UHFFFAOYSA-N 2 0 329.488 3.166 20 0 EGADRP CC[C@@H](C(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1)[NH+](C)C ZINC001283341155 1378824916 /nfs/dbraw/zinc/82/49/16/1378824916.db2.gz VLVOPGNLSCIBQM-KRWDZBQOSA-N 2 0 325.541 3.076 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398717 1378834710 /nfs/dbraw/zinc/83/47/10/1378834710.db2.gz RCRKOUHGQWARJP-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535292 1378862300 /nfs/dbraw/zinc/86/23/00/1378862300.db2.gz LWGQMLQEPPBKJU-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146609649 1378877864 /nfs/dbraw/zinc/87/78/64/1378877864.db2.gz FTCMHNJYLGRQRI-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)CCCC[NH+]1CCCC1 ZINC001146698924 1378899664 /nfs/dbraw/zinc/89/96/64/1378899664.db2.gz AHHBYILZQACHGJ-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701560 1378900897 /nfs/dbraw/zinc/90/08/97/1378900897.db2.gz NGBNFIUDMLDQKW-CQQBRXBZSA-N 2 0 337.552 3.482 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC2CC2)o1 ZINC001146702314 1378901915 /nfs/dbraw/zinc/90/19/15/1378901915.db2.gz VFERAGACZUGPIN-JKSUJKDBSA-N 2 0 349.519 3.408 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC001146718859 1378907002 /nfs/dbraw/zinc/90/70/02/1378907002.db2.gz ILJYFMKRMHXNSU-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001147359532 1379009492 /nfs/dbraw/zinc/00/94/92/1379009492.db2.gz RCWKXRNKZUOOAR-LJQANCHMSA-N 2 0 349.494 3.017 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001147449591 1379023369 /nfs/dbraw/zinc/02/33/69/1379023369.db2.gz UUUQKEOQPQZOFK-SFHVURJKSA-N 2 0 333.520 3.356 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC001147458642 1379025329 /nfs/dbraw/zinc/02/53/29/1379025329.db2.gz MDVHWPJFKXJIID-PKOBYXMFSA-N 2 0 333.520 3.067 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147840940 1379089367 /nfs/dbraw/zinc/08/93/67/1379089367.db2.gz GLKUHYISKFNPIK-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001147893536 1379098218 /nfs/dbraw/zinc/09/82/18/1379098218.db2.gz RFUKKAGSLULYGL-IRXDYDNUSA-N 2 0 345.531 3.093 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001283679490 1379108921 /nfs/dbraw/zinc/10/89/21/1379108921.db2.gz WJLZGOINQPKDCG-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391974 1379163643 /nfs/dbraw/zinc/16/36/43/1379163643.db2.gz ZIYSVASKOTUJQQ-HMECNJMJSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001148418039 1379168435 /nfs/dbraw/zinc/16/84/35/1379168435.db2.gz ABZNCWNHRWILFY-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)C(C)C ZINC001148477272 1379181385 /nfs/dbraw/zinc/18/13/85/1379181385.db2.gz OYDUKOCTULJYPC-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)(C)CC1)C2 ZINC001148548248 1379208441 /nfs/dbraw/zinc/20/84/41/1379208441.db2.gz OKBQVYMJEPMQSD-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001284152561 1379548671 /nfs/dbraw/zinc/54/86/71/1379548671.db2.gz IIDMBOXNATZAJR-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001284244535 1379628584 /nfs/dbraw/zinc/62/85/84/1379628584.db2.gz RISWMCSWLUFPNM-MOPGFXCFSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001151362511 1379705868 /nfs/dbraw/zinc/70/58/68/1379705868.db2.gz XXFYVWMETTYWGJ-RTBURBONSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC001152245134 1379893183 /nfs/dbraw/zinc/89/31/83/1379893183.db2.gz AZEQMWNAEHKUOH-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001152464554 1379938617 /nfs/dbraw/zinc/93/86/17/1379938617.db2.gz WNOQBLUKMPILQX-RTBURBONSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001152464444 1379938850 /nfs/dbraw/zinc/93/88/50/1379938850.db2.gz MIZKYLJQXGKEHJ-ICSRJNTNSA-N 2 0 345.531 3.191 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)C(C)(C)C)[NH+](C)C ZINC001284602487 1380002902 /nfs/dbraw/zinc/00/29/02/1380002902.db2.gz CXHSEQGMCXOOBC-MOPGFXCFSA-N 2 0 347.547 3.264 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001153314567 1380054705 /nfs/dbraw/zinc/05/47/05/1380054705.db2.gz OANMURDETRNCDG-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2=CCCCC2)CC[N@@H+]1C ZINC001153501639 1380086038 /nfs/dbraw/zinc/08/60/38/1380086038.db2.gz PDGMKFKMLNNQDE-NZSAHSFTSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677621 1380113820 /nfs/dbraw/zinc/11/38/20/1380113820.db2.gz JTDOLTQBUYKOOY-CQSZACIVSA-N 2 0 325.522 3.050 20 0 EGADRP CC[N@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850846 1380143898 /nfs/dbraw/zinc/14/38/98/1380143898.db2.gz IZDRJHGZDUCLKG-ZPHJMFTNSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879512 1380148200 /nfs/dbraw/zinc/14/82/00/1380148200.db2.gz HUAYKRAQHOADKV-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001153998578 1380175049 /nfs/dbraw/zinc/17/50/49/1380175049.db2.gz XTANHDICFJWFKL-RHSMWYFYSA-N 2 0 339.911 3.007 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083244 1380202126 /nfs/dbraw/zinc/20/21/26/1380202126.db2.gz NLTGOGMHNWYVDO-QGZVFWFLSA-N 2 0 348.535 3.171 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116539 1380211879 /nfs/dbraw/zinc/21/18/79/1380211879.db2.gz PAFCBUOEBSDXSK-OAHLLOKOSA-N 2 0 330.476 3.273 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844302 1380362926 /nfs/dbraw/zinc/36/29/26/1380362926.db2.gz AMZNVVZBINLPFP-HCXYKTFWSA-N 2 0 339.568 3.226 20 0 EGADRP CC[N@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226114 1380426280 /nfs/dbraw/zinc/42/62/80/1380426280.db2.gz HMCARMIOBGSUDZ-RBAMYAFPSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254838 1380429508 /nfs/dbraw/zinc/42/95/08/1380429508.db2.gz GIABJDDUGRWWKE-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283418 1380433430 /nfs/dbraw/zinc/43/34/30/1380433430.db2.gz SBXWZLRMVDUXHO-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131346 1380529248 /nfs/dbraw/zinc/52/92/48/1380529248.db2.gz LTSPSJHKJJVBQY-QGZVFWFLSA-N 2 0 339.568 3.370 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C/Cl ZINC001156306967 1380554996 /nfs/dbraw/zinc/55/49/96/1380554996.db2.gz YIPXUFHXBXEEEJ-IEPXPHTDSA-N 2 0 343.943 3.220 20 0 EGADRP CC[N@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475403 1380581313 /nfs/dbraw/zinc/58/13/13/1380581313.db2.gz DDKFSUBSAUDLJJ-OAHLLOKOSA-N 2 0 339.549 3.115 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)C/C=C/c1ccccc1 ZINC001156510134 1380586048 /nfs/dbraw/zinc/58/60/48/1380586048.db2.gz JCGZTPQXOCFGRH-YFPIXMDGSA-N 2 0 345.531 3.258 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961442 1380738185 /nfs/dbraw/zinc/73/81/85/1380738185.db2.gz RGDQKBWSDWJAQI-LJQANCHMSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113409 1380778662 /nfs/dbraw/zinc/77/86/62/1380778662.db2.gz KBKCYOWNFQRUMT-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255046 1380825291 /nfs/dbraw/zinc/82/52/91/1380825291.db2.gz AAIZOHBXHGYCOB-GOSISDBHSA-N 2 0 343.531 3.219 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157887366 1381061223 /nfs/dbraw/zinc/06/12/23/1381061223.db2.gz TYZLIYYJTJJDQC-IEBWSBKVSA-N 2 0 331.504 3.025 20 0 EGADRP [NH3+]Cc1ccc2ncn(-c3nc(Cl)ccc3C[NH+]3CCCC3)c2c1 ZINC001158006040 1381100268 /nfs/dbraw/zinc/10/02/68/1381100268.db2.gz LDKWOYCUTKFSCF-UHFFFAOYSA-N 2 0 341.846 3.128 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158039567 1381109473 /nfs/dbraw/zinc/10/94/73/1381109473.db2.gz SIUZPZNHYFVKIK-WOJBJXKFSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158089768 1381125143 /nfs/dbraw/zinc/12/51/43/1381125143.db2.gz AJYGCWMVOSZJCG-ZMBJWTFHSA-N 2 0 335.536 3.140 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001328254585 1388700724 /nfs/dbraw/zinc/70/07/24/1388700724.db2.gz DZDXZXKMYBCWJP-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(C)C)ccc2c[nH+]cn21 ZINC001158165041 1381146444 /nfs/dbraw/zinc/14/64/44/1381146444.db2.gz PQAJLFGJXHDHKE-GOSISDBHSA-N 2 0 342.487 3.225 20 0 EGADRP Cc1nc(N2CCCC2)cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001158265180 1381177380 /nfs/dbraw/zinc/17/73/80/1381177380.db2.gz FSXQSQTUTFHNFK-HNAYVOBHSA-N 2 0 331.508 3.341 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001158438333 1381247096 /nfs/dbraw/zinc/24/70/96/1381247096.db2.gz VAQCGTWONMSCMV-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437944 1381247341 /nfs/dbraw/zinc/24/73/41/1381247341.db2.gz HGIAXRJYHULEAA-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CCc1cccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158445755 1381247939 /nfs/dbraw/zinc/24/79/39/1381247939.db2.gz POAMBQIIUBHWNE-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158445616 1381247996 /nfs/dbraw/zinc/24/79/96/1381247996.db2.gz MICUPWURGCUADI-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001158450812 1381249149 /nfs/dbraw/zinc/24/91/49/1381249149.db2.gz ZDSRGMUMDIBAPN-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001328280698 1388711382 /nfs/dbraw/zinc/71/13/82/1388711382.db2.gz AEAWTLQRUBQCIO-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328285077 1388715185 /nfs/dbraw/zinc/71/51/85/1388715185.db2.gz QLMVCTXPJSPDEY-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001158704147 1381360320 /nfs/dbraw/zinc/36/03/20/1381360320.db2.gz DTVSALFNBDQGHU-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744179 1381378583 /nfs/dbraw/zinc/37/85/83/1381378583.db2.gz GDXYBDGKMXEVMM-ZMBJWTFHSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158750243 1381382987 /nfs/dbraw/zinc/38/29/87/1381382987.db2.gz HGOHGMAJOKZVGQ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@H](C)CC ZINC001158781774 1381396277 /nfs/dbraw/zinc/39/62/77/1381396277.db2.gz RRWIXEFZPVBWGU-QZTJIDSGSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158787652 1381400867 /nfs/dbraw/zinc/40/08/67/1381400867.db2.gz YGQGGNSJHRKBMK-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP C[N@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158853377 1381434941 /nfs/dbraw/zinc/43/49/41/1381434941.db2.gz UPSCGVMHWSZTJM-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[N@H+](Cc1ccc(N2CCC3(CC2)[NH2+]Cc2ccccc23)nc1)C1CC1 ZINC001159031254 1381522066 /nfs/dbraw/zinc/52/20/66/1381522066.db2.gz JEDMIWRNHKDWDU-UHFFFAOYSA-N 2 0 348.494 3.275 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC001328356740 1388729169 /nfs/dbraw/zinc/72/91/69/1388729169.db2.gz YTIVTIQDOXYLLR-UHFFFAOYSA-N 2 0 349.369 3.377 20 0 EGADRP C[NH+]1CCN(c2ncccc2Nc2ccc([C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001159158169 1381683279 /nfs/dbraw/zinc/68/32/79/1381683279.db2.gz XEWOZRNOIKYKPR-SFHVURJKSA-N 2 0 337.471 3.002 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001159161705 1381686607 /nfs/dbraw/zinc/68/66/07/1381686607.db2.gz HJODLICEDDMTCB-GOSISDBHSA-N 2 0 343.531 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001159335173 1381767889 /nfs/dbraw/zinc/76/78/89/1381767889.db2.gz UHKUKUXVQHOINJ-PMACEKPBSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001159334271 1381767864 /nfs/dbraw/zinc/76/78/64/1381767864.db2.gz BNVOIZGFFBCHKX-IEBWSBKVSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001159334715 1381768206 /nfs/dbraw/zinc/76/82/06/1381768206.db2.gz GFJQLANJJIDPGD-OALUTQOASA-N 2 0 349.494 3.247 20 0 EGADRP c1cc(N2CC[NH2+]CC2)ccc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001159455483 1381798692 /nfs/dbraw/zinc/79/86/92/1381798692.db2.gz FTXVXPDOGZUADZ-IBGZPJMESA-N 2 0 326.488 3.040 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3ccc([C@H]4CC[NH2+]C4)cc3)cc2)CC1 ZINC001159776988 1381896937 /nfs/dbraw/zinc/89/69/37/1381896937.db2.gz XVEBUXLUFRYBQU-SFHVURJKSA-N 2 0 336.483 3.259 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001159787401 1381900601 /nfs/dbraw/zinc/90/06/01/1381900601.db2.gz WJHFKJXVCUAJPQ-ZDUSSCGKSA-N 2 0 347.875 3.447 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001159838656 1381916952 /nfs/dbraw/zinc/91/69/52/1381916952.db2.gz MTMPBHKQOSVQCR-LJQANCHMSA-N 2 0 337.552 3.031 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccc(N3CC[NH2+]CC3)c2)c1F ZINC001159858468 1381922314 /nfs/dbraw/zinc/92/23/14/1381922314.db2.gz WDCHHGYIQCXSDD-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP C[N@H+](Cc1ccc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc1)C1CC1 ZINC001159953486 1381948484 /nfs/dbraw/zinc/94/84/84/1381948484.db2.gz UHVJOKUCKNORIT-MRXNPFEDSA-N 2 0 346.478 3.436 20 0 EGADRP c1ccc(C2=CC[NH2+]CC2)c(NC2=CC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001160026473 1381971976 /nfs/dbraw/zinc/97/19/76/1381971976.db2.gz RUBGAUGFBHLTAE-LJQANCHMSA-N 2 0 339.483 3.244 20 0 EGADRP [NH3+][C@@H]1CCN(c2c(F)cccc2NC2=CC[C@H]([NH+]3CCCC3)CC2)C1 ZINC001160117048 1382002326 /nfs/dbraw/zinc/00/23/26/1382002326.db2.gz ROVSEIPYPAHEMV-WBVHZDCISA-N 2 0 344.478 3.307 20 0 EGADRP CC(C)(C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001160130962 1382007236 /nfs/dbraw/zinc/00/72/36/1382007236.db2.gz AMULIASBKXJALU-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131958 1382009722 /nfs/dbraw/zinc/00/97/22/1382009722.db2.gz YCWDKJBKAZZKPM-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001160273805 1382058473 /nfs/dbraw/zinc/05/84/73/1382058473.db2.gz OGLNLVLNJGEUBI-XGHQVWIYSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](C[C@@H](C)CC)CC1 ZINC001160285496 1382061278 /nfs/dbraw/zinc/06/12/78/1382061278.db2.gz DWHARUZBTQDTKU-PKOBYXMFSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001160427043 1382100915 /nfs/dbraw/zinc/10/09/15/1382100915.db2.gz LUZYEZOQQCRIFY-SFHVURJKSA-N 2 0 347.528 3.083 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001160477968 1382117514 /nfs/dbraw/zinc/11/75/14/1382117514.db2.gz UZMMVXAUJGAWKZ-AZUAARDMSA-N 2 0 345.531 3.278 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593227 1382149245 /nfs/dbraw/zinc/14/92/45/1382149245.db2.gz MWXZVVIMRDGHFU-UHFFFAOYSA-N 2 0 347.547 3.334 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1)[NH+](C)C ZINC001160883838 1382223733 /nfs/dbraw/zinc/22/37/33/1382223733.db2.gz WEBHPGKADCUKMJ-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP CC(C)C[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC001292956356 1382237563 /nfs/dbraw/zinc/23/75/63/1382237563.db2.gz OULKSCZEOCMZML-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1ccc2c(c1)nc(Cl)nc2-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160945802 1382246516 /nfs/dbraw/zinc/24/65/16/1382246516.db2.gz MUJHWOAJXCKEAE-UHFFFAOYSA-N 2 0 337.814 3.432 20 0 EGADRP O=C(NCCC[NH2+]Cc1cccc(Cl)c1)c1cc2c[nH]ccc-2n1 ZINC001160990338 1382263286 /nfs/dbraw/zinc/26/32/86/1382263286.db2.gz IYSSZYVBTJVTBG-UHFFFAOYSA-N 2 0 342.830 3.126 20 0 EGADRP C[C@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161036299 1382278942 /nfs/dbraw/zinc/27/89/42/1382278942.db2.gz HNNROGKREPLXRV-GOSISDBHSA-N 2 0 343.515 3.228 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@]3(C)CC(C)(C)C[NH2+]3)CC2)CC1 ZINC001161046407 1382282607 /nfs/dbraw/zinc/28/26/07/1382282607.db2.gz KKVXTUHUCKHTIN-NRFANRHFSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCCC3CCC3)CC2)CC1 ZINC001161102109 1382297808 /nfs/dbraw/zinc/29/78/08/1382297808.db2.gz SPKPRSKBIZTQKH-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205786 1382340902 /nfs/dbraw/zinc/34/09/02/1382340902.db2.gz GYHOZTIUVWXDNN-HKUYNNGSSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001161206450 1382340950 /nfs/dbraw/zinc/34/09/50/1382340950.db2.gz JSGOAKVJHYTROH-GOSISDBHSA-N 2 0 345.531 3.110 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161207056 1382341662 /nfs/dbraw/zinc/34/16/62/1382341662.db2.gz PQFSTWGXCDVGQS-KRWDZBQOSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001161226805 1382349024 /nfs/dbraw/zinc/34/90/24/1382349024.db2.gz PJRUEALJRVNQGE-UHFFFAOYSA-N 2 0 333.520 3.136 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC[NH+]2CCCC2)c2ccccc2)C1 ZINC001293770719 1382355158 /nfs/dbraw/zinc/35/51/58/1382355158.db2.gz LGRCVLMAGQUDHJ-IBGZPJMESA-N 2 0 343.515 3.237 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382918 1382391099 /nfs/dbraw/zinc/39/10/99/1382391099.db2.gz FGHMHRMHLOSCDG-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444609 1382413232 /nfs/dbraw/zinc/41/32/32/1382413232.db2.gz HZQALMYNXFZJTN-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CC(C)C)CC1 ZINC001161497093 1382423356 /nfs/dbraw/zinc/42/33/56/1382423356.db2.gz RWMBFLNRTKQMPO-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+][C@@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001161564070 1382440276 /nfs/dbraw/zinc/44/02/76/1382440276.db2.gz RBJSZLLRACAPLI-HNNXBMFYSA-N 2 0 336.439 3.113 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)c1 ZINC001161644107 1382468773 /nfs/dbraw/zinc/46/87/73/1382468773.db2.gz IALCXVMKIWTLBO-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001294614228 1382479954 /nfs/dbraw/zinc/47/99/54/1382479954.db2.gz KAERTDLMJIRLIU-ICSRJNTNSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)C1 ZINC001161704699 1382485438 /nfs/dbraw/zinc/48/54/38/1382485438.db2.gz GIXIIOACTCAEJG-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733933 1382491191 /nfs/dbraw/zinc/49/11/91/1382491191.db2.gz PAJDCFUBYCZEMI-AATRIKPKSA-N 2 0 335.536 3.213 20 0 EGADRP Cc1nc(N(C)C)cc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)[nH+]1 ZINC001161821408 1382520576 /nfs/dbraw/zinc/52/05/76/1382520576.db2.gz XORKCRMMPPQSIM-IBGZPJMESA-N 2 0 343.450 3.143 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161899311 1382544357 /nfs/dbraw/zinc/54/43/57/1382544357.db2.gz RVOSRDFWSFKIKU-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161952296 1382567234 /nfs/dbraw/zinc/56/72/34/1382567234.db2.gz FUOJTPVVCDCJPQ-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953038 1382568471 /nfs/dbraw/zinc/56/84/71/1382568471.db2.gz OYYZWWUMLAWHFP-ICSRJNTNSA-N 2 0 349.563 3.291 20 0 EGADRP COc1ccc2c(cc[nH+]c2NCC2(c3cccnc3)CC[NH2+]CC2)c1 ZINC001162036796 1382610002 /nfs/dbraw/zinc/61/00/02/1382610002.db2.gz PKYBCMDQDCBSIH-UHFFFAOYSA-N 2 0 348.450 3.372 20 0 EGADRP Cc1cccc(Sc2cncc(NCCC[NH2+]CCCC[NH3+])n2)c1 ZINC001162293316 1382724038 /nfs/dbraw/zinc/72/40/38/1382724038.db2.gz XBZKEKUAJZMODH-UHFFFAOYSA-N 2 0 345.516 3.067 20 0 EGADRP [NH3+][C@H]1Cc2ccccc2N(c2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001162847363 1382893385 /nfs/dbraw/zinc/89/33/85/1382893385.db2.gz NOHLNCVEQIZLHB-SFHVURJKSA-N 2 0 331.463 3.356 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)ncc1-c1ccccc1 ZINC001163126582 1382971172 /nfs/dbraw/zinc/97/11/72/1382971172.db2.gz SVOYKLICLDWPJP-UHFFFAOYSA-N 2 0 346.866 3.075 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc2ccc(Cl)c(C)c2n1 ZINC001163128587 1382972152 /nfs/dbraw/zinc/97/21/52/1382972152.db2.gz MEGNIWCBDYULDY-UHFFFAOYSA-N 2 0 333.867 3.475 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(Cl)nc1-c1ccccc1 ZINC001163128942 1382972394 /nfs/dbraw/zinc/97/23/94/1382972394.db2.gz QVCZHTFJOZRVAA-UHFFFAOYSA-N 2 0 346.866 3.075 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163247053 1383004292 /nfs/dbraw/zinc/00/42/92/1383004292.db2.gz AIXYLESANMBTMB-SREVYHEPSA-N 2 0 345.531 3.247 20 0 EGADRP c1ccc(C[N@@H+]2CCc3c(ccnc3N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001163261458 1383006695 /nfs/dbraw/zinc/00/66/95/1383006695.db2.gz XIPQRNVVGNTLOM-QMMLZNLJSA-N 2 0 348.494 3.050 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]CCCC1CCC1)C1CCCCC1 ZINC001163275061 1383010997 /nfs/dbraw/zinc/01/09/97/1383010997.db2.gz ORUXEYNBHKALMI-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163290979 1383013894 /nfs/dbraw/zinc/01/38/94/1383013894.db2.gz WVLMYZAAOLQYKC-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](Nc2cccc(OCC[NH+]3CCCC3)n2)[C@H](C)C1 ZINC001163366275 1383032989 /nfs/dbraw/zinc/03/29/89/1383032989.db2.gz TZOUTVHRIQRZGO-QZTJIDSGSA-N 2 0 346.519 3.087 20 0 EGADRP COCC[N@H+](C)[C@H](CNc1cc(N)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385402 1383038349 /nfs/dbraw/zinc/03/83/49/1383038349.db2.gz LWZWQAZCBBZEEF-MRXNPFEDSA-N 2 0 334.851 3.049 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001163846141 1383128727 /nfs/dbraw/zinc/12/87/27/1383128727.db2.gz RDGYMGPDYMIGAL-VMPITWQZSA-N 2 0 332.451 3.409 20 0 EGADRP [NH2+]=C(Nc1cccnc1OC1C[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001163848214 1383129161 /nfs/dbraw/zinc/12/91/61/1383129161.db2.gz MGKUBDBLDOTJBT-UHFFFAOYSA-N 2 0 326.444 3.038 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]Cc1ccccc1C1CC1)[NH+]1CCCC1 ZINC001163851407 1383129382 /nfs/dbraw/zinc/12/93/82/1383129382.db2.gz MOKYJRKHAFOXKO-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001164455499 1383188323 /nfs/dbraw/zinc/18/83/23/1383188323.db2.gz CLBFGWCAKLQMSY-FUHWJXTLSA-N 2 0 349.494 3.105 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164513396 1383195014 /nfs/dbraw/zinc/19/50/14/1383195014.db2.gz CKMCAAPAEWMVMV-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531314 1383196742 /nfs/dbraw/zinc/19/67/42/1383196742.db2.gz CVQWYVZYDHQIFX-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001164578900 1383201397 /nfs/dbraw/zinc/20/13/97/1383201397.db2.gz XYAOTMYLHSGJTF-RBUKOAKNSA-N 2 0 347.547 3.093 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@H]32)cc1 ZINC001165082906 1383224165 /nfs/dbraw/zinc/22/41/65/1383224165.db2.gz FFKFLYCWYNFIET-PZJWPPBQSA-N 2 0 348.494 3.393 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2ccnc2[C@H]2CCC[NH2+]C2)nc1 ZINC001165144285 1383236628 /nfs/dbraw/zinc/23/66/28/1383236628.db2.gz QSLGXGGHYVFZLF-ZWKOTPCHSA-N 2 0 339.487 3.281 20 0 EGADRP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CC[C@H]([NH3+])C2)nc1 ZINC001165213186 1383249811 /nfs/dbraw/zinc/24/98/11/1383249811.db2.gz WQLCUVNFLQFUAI-KRWDZBQOSA-N 2 0 339.487 3.204 20 0 EGADRP C[N@@H+]1CCC[C@H](CCNc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001165289925 1383266955 /nfs/dbraw/zinc/26/69/55/1383266955.db2.gz MAQPHSFENHSIQS-LJQANCHMSA-N 3 0 344.547 3.001 20 0 EGADRP CCCN(CCC)c1cc(N2CCCCC23CC[NH2+]CC3)ncn1 ZINC001165339000 1383277198 /nfs/dbraw/zinc/27/71/98/1383277198.db2.gz NLBKKKPRMSMHRL-UHFFFAOYSA-N 2 0 331.508 3.216 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472555 1383300007 /nfs/dbraw/zinc/30/00/07/1383300007.db2.gz MUAVQWYSMRYLQU-SFHVURJKSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001165781725 1383344469 /nfs/dbraw/zinc/34/44/69/1383344469.db2.gz XZTXDUQEONOAGG-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001166010225 1383376503 /nfs/dbraw/zinc/37/65/03/1383376503.db2.gz LUZYEZOQQCRIFY-GOSISDBHSA-N 2 0 347.528 3.083 20 0 EGADRP Cc1cccc(CCC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001166744428 1383469972 /nfs/dbraw/zinc/46/99/72/1383469972.db2.gz WHHCOVYPJFECIH-UHFFFAOYSA-N 2 0 347.547 3.001 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]CC3CC(C)C3)CC2)C1 ZINC001166793308 1383478292 /nfs/dbraw/zinc/47/82/92/1383478292.db2.gz ILGJBBOOJMTNIY-ACBHZAAOSA-N 2 0 349.563 3.031 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166863730 1383489246 /nfs/dbraw/zinc/48/92/46/1383489246.db2.gz QPAPLMBWBFSABQ-UHFFFAOYSA-N 2 0 349.519 3.267 20 0 EGADRP Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc2c1C[NH2+]CC2 ZINC001166865349 1383489873 /nfs/dbraw/zinc/48/98/73/1383489873.db2.gz RDSVBNLPCRIOBI-HXUWFJFHSA-N 2 0 336.483 3.285 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001166897273 1383496430 /nfs/dbraw/zinc/49/64/30/1383496430.db2.gz SGIUTIFFTMKMNP-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1)[NH+](C)C ZINC001167045543 1383526986 /nfs/dbraw/zinc/52/69/86/1383526986.db2.gz UYOQYIRNPGUTPG-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167240563 1383573322 /nfs/dbraw/zinc/57/33/22/1383573322.db2.gz NVBNDCFCHZHBHB-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385415 1383619317 /nfs/dbraw/zinc/61/93/17/1383619317.db2.gz BZBYZJMURJSFMX-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426751 1383630623 /nfs/dbraw/zinc/63/06/23/1383630623.db2.gz YFWMTAFEJYDRBT-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001167627074 1383692786 /nfs/dbraw/zinc/69/27/86/1383692786.db2.gz KALSVCGLORAKCD-IBGZPJMESA-N 2 0 349.494 3.015 20 0 EGADRP CC[C@@H]([NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1)c1ccccc1 ZINC001167639567 1383695485 /nfs/dbraw/zinc/69/54/85/1383695485.db2.gz BXSWUGYLTJTTME-LJQANCHMSA-N 2 0 345.531 3.356 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167694812 1383713286 /nfs/dbraw/zinc/71/32/86/1383713286.db2.gz VMWIIAFILDTCLJ-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP CCCC[NH+](CCCC)CCNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001167734986 1383725076 /nfs/dbraw/zinc/72/50/76/1383725076.db2.gz RVBPDLFNWPYTRY-UHFFFAOYSA-N 2 0 331.504 3.329 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784888 1383740601 /nfs/dbraw/zinc/74/06/01/1383740601.db2.gz ZXQFAHFDISBWGN-GOSISDBHSA-N 2 0 339.568 3.277 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(NC(=O)C2CCCC2)CC1 ZINC001167824067 1383749604 /nfs/dbraw/zinc/74/96/04/1383749604.db2.gz BNAHFJLIEXYUTN-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCN(c2ncccc2C)CC1 ZINC001167826985 1383750027 /nfs/dbraw/zinc/75/00/27/1383750027.db2.gz SOJRZVUWEBAYHZ-LJQANCHMSA-N 2 0 332.536 3.413 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001167826964 1383750388 /nfs/dbraw/zinc/75/03/88/1383750388.db2.gz SJWCRDWQHPEJAZ-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001167833318 1383753309 /nfs/dbraw/zinc/75/33/09/1383753309.db2.gz AMAXMNLFSLYHQS-CEXWTWQISA-N 2 0 327.532 3.395 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)CCNC(=O)OC(C)(C)C ZINC001167841736 1383756693 /nfs/dbraw/zinc/75/66/93/1383756693.db2.gz PXERWJPHFWHHEB-INIZCTEOSA-N 2 0 329.529 3.344 20 0 EGADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc(OC)c1 ZINC001167958743 1383779111 /nfs/dbraw/zinc/77/91/11/1383779111.db2.gz JUTCYOIEGGONDE-AYHJJNSGSA-N 2 0 330.472 3.199 20 0 EGADRP OC[C@@H](Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968584 1383781484 /nfs/dbraw/zinc/78/14/84/1383781484.db2.gz RZAXPHWCUKSQDJ-YGFFAISXSA-N 2 0 348.918 3.238 20 0 EGADRP CCOC(=O)C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1C ZINC001168002735 1383793068 /nfs/dbraw/zinc/79/30/68/1383793068.db2.gz WLWADVNIKZOIET-MZSJESITSA-N 2 0 348.531 3.303 20 0 EGADRP C[C@H]1CC([NH2+]CCN2CCCCC2=O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005001 1383793856 /nfs/dbraw/zinc/79/38/56/1383793856.db2.gz DHFGDWMNLVOHGZ-ROUUACIJSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011055 1383796253 /nfs/dbraw/zinc/79/62/53/1383796253.db2.gz MHBDQYLDLOXMEG-OPVJXMOQSA-N 2 0 343.515 3.030 20 0 EGADRP COC(=O)C[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057710 1383805940 /nfs/dbraw/zinc/80/59/40/1383805940.db2.gz NMPSRHWCRPHDFS-PIKOESSRSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC[C@@H]3C[NH+](C)C[C@@H]32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065705 1383807923 /nfs/dbraw/zinc/80/79/23/1383807923.db2.gz XSWMHSXDDZQZHE-RXRQOCSWSA-N 2 0 341.543 3.454 20 0 EGADRP C[C@@H]1C[C@H](n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)CCO1 ZINC001168087626 1383813991 /nfs/dbraw/zinc/81/39/91/1383813991.db2.gz MEDBSAQHKAJYER-VQIMIIECSA-N 2 0 341.499 3.347 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CCC3CC3)C2)CC1 ZINC001328812019 1388878268 /nfs/dbraw/zinc/87/82/68/1388878268.db2.gz HPVPHLSAQWWFDR-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2COc3ccc(Br)cc32)CC1 ZINC001168298245 1383866764 /nfs/dbraw/zinc/86/67/64/1383866764.db2.gz HWGVMTBXMTXZJT-PIMMBPRGSA-N 2 0 339.277 3.345 20 0 EGADRP COC(=O)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC001168298139 1383866889 /nfs/dbraw/zinc/86/68/89/1383866889.db2.gz ANCAMMWKHYTRMX-JCYILVPMSA-N 2 0 338.879 3.407 20 0 EGADRP CC(C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)Nc1ccc(F)cc1 ZINC001168305899 1383868281 /nfs/dbraw/zinc/86/82/81/1383868281.db2.gz SWGKMYJEBQUKIK-VJFUWPCTSA-N 2 0 335.467 3.251 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168319003 1383871265 /nfs/dbraw/zinc/87/12/65/1383871265.db2.gz KSNPQJRYSPOLAB-OFLPRAFFSA-N 2 0 339.524 3.191 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001168315542 1383871660 /nfs/dbraw/zinc/87/16/60/1383871660.db2.gz YGBMLCHQIZLJSY-GTPINHCMSA-N 2 0 339.524 3.238 20 0 EGADRP COc1ccc(C(=O)C2CC[NH+](C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168324056 1383873071 /nfs/dbraw/zinc/87/30/71/1383873071.db2.gz HZFLWDVXLQCEQX-UHFFFAOYSA-N 2 0 344.499 3.463 20 0 EGADRP CC[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC([NH+](C)C)CC1 ZINC001168327360 1383874078 /nfs/dbraw/zinc/87/40/78/1383874078.db2.gz KSNQAMUCLSUVBG-XVAXZDLZSA-N 2 0 329.532 3.456 20 0 EGADRP COC[C@H](C)[N@H+](Cc1cccc(OC)c1)C1CCC([NH+](C)C)CC1 ZINC001168327871 1383874188 /nfs/dbraw/zinc/87/41/88/1383874188.db2.gz RPZJEASDBQYRSF-IVMQYODDSA-N 2 0 334.504 3.405 20 0 EGADRP COc1cccc(N(C2CC[NH2+]CC2)C2CCC([NH+](C)C)CC2)c1 ZINC001168328561 1383874194 /nfs/dbraw/zinc/87/41/94/1383874194.db2.gz JSAJMJHBADAFRG-UHFFFAOYSA-N 2 0 331.504 3.126 20 0 EGADRP C[C@H]1C[NH+](C2CCC([NH+](C)C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001168328751 1383874375 /nfs/dbraw/zinc/87/43/75/1383874375.db2.gz CBNBYMZQKVOXCZ-JUVOFCAFSA-N 2 0 339.524 3.189 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001168328528 1383874475 /nfs/dbraw/zinc/87/44/75/1383874475.db2.gz JBBFWBSWCSBNPL-UHFFFAOYSA-N 2 0 340.446 3.471 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001168330258 1383875458 /nfs/dbraw/zinc/87/54/58/1383875458.db2.gz NYIYCWSEIIJAQF-XVAXZDLZSA-N 2 0 329.532 3.456 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335912 1383876845 /nfs/dbraw/zinc/87/68/45/1383876845.db2.gz ZLLQRQGNWWZOEP-LIXSYLKWSA-N 2 0 349.563 3.483 20 0 EGADRP CCCN(CC[NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001168359863 1383882510 /nfs/dbraw/zinc/88/25/10/1383882510.db2.gz FSSQURVKDASJCX-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001168357472 1383882962 /nfs/dbraw/zinc/88/29/62/1383882962.db2.gz BBROQZYEZIVWMZ-UHFFFAOYSA-N 3 0 333.564 3.495 20 0 EGADRP [NH3+]Cc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC001168362783 1383883286 /nfs/dbraw/zinc/88/32/86/1383883286.db2.gz IVSRSHPTEPCNNF-UHFFFAOYSA-N 2 0 327.394 3.450 20 0 EGADRP c1ccc(C2([NH+]3CCN(C4CC[NH+](CC5CC5)CC4)CC3)CC2)cc1 ZINC001168389603 1383892565 /nfs/dbraw/zinc/89/25/65/1383892565.db2.gz SZWAIQQKJQJYLA-UHFFFAOYSA-N 2 0 339.527 3.168 20 0 EGADRP COc1cccc(N(C2CC[NH2+]CC2)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168389801 1383893558 /nfs/dbraw/zinc/89/35/58/1383893558.db2.gz WNWDASDBHKDQTL-UHFFFAOYSA-N 2 0 343.515 3.128 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168433510 1383904977 /nfs/dbraw/zinc/90/49/77/1383904977.db2.gz CIMMZCRPOBRGRZ-SREVYHEPSA-N 2 0 331.504 3.204 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442949 1383906812 /nfs/dbraw/zinc/90/68/12/1383906812.db2.gz XYFUGHQPGRTJJT-NHCUHLMSSA-N 2 0 346.490 3.258 20 0 EGADRP C[NH+](C)CC(C)(C)CNc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001168767562 1383996666 /nfs/dbraw/zinc/99/66/66/1383996666.db2.gz FYAREUQRTADZBC-QGZVFWFLSA-N 2 0 343.519 3.351 20 0 EGADRP C[NH+](C)CC(C)(C)CNc1c[nH+]c2cccc(Br)n12 ZINC001168769672 1383997484 /nfs/dbraw/zinc/99/74/84/1383997484.db2.gz WADLPBDAGGMZFK-UHFFFAOYSA-N 2 0 325.254 3.097 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)CC(C)(C)CC[NH3+] ZINC001168828535 1384022467 /nfs/dbraw/zinc/02/24/67/1384022467.db2.gz HTCWGRDVECLVFV-XHSDSOJGSA-N 2 0 341.540 3.375 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001168837652 1384027737 /nfs/dbraw/zinc/02/77/37/1384027737.db2.gz CIZDLEJQUBCJFD-VXLLPVPCSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001169091181 1384105194 /nfs/dbraw/zinc/10/51/94/1384105194.db2.gz OXUBBIYHNBLJFJ-PPQDBTBKSA-N 2 0 327.516 3.254 20 0 EGADRP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001169091178 1384105353 /nfs/dbraw/zinc/10/53/53/1384105353.db2.gz OXUBBIYHNBLJFJ-KPACCLEDSA-N 2 0 327.516 3.254 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(Br)cc1F)C2 ZINC001169108634 1384108262 /nfs/dbraw/zinc/10/82/62/1384108262.db2.gz UGTNMFVEADQXFC-ZSBIGDGJSA-N 2 0 340.240 3.128 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001169109423 1384108782 /nfs/dbraw/zinc/10/87/82/1384108782.db2.gz IFVQSXZNTFSAGD-LVQVYYBASA-N 2 0 327.447 3.394 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169118555 1384109606 /nfs/dbraw/zinc/10/96/06/1384109606.db2.gz KBMKAUWCTWVNLI-ACDBMABISA-N 2 0 327.516 3.256 20 0 EGADRP CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144592 1384114047 /nfs/dbraw/zinc/11/40/47/1384114047.db2.gz KDCFGPDVQGVACF-WOZUAGRISA-N 2 0 327.516 3.208 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145567 1384114390 /nfs/dbraw/zinc/11/43/90/1384114390.db2.gz MZOHVQKTWCNSRD-LRSLUSHPSA-N 2 0 339.527 3.210 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nc2ccccc2n1C(C)C ZINC001308327381 1384119562 /nfs/dbraw/zinc/11/95/62/1384119562.db2.gz HFXYPGSHULWMDM-MRXNPFEDSA-N 2 0 332.492 3.064 20 0 EGADRP CC[NH+]1CCC(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001169261495 1384128678 /nfs/dbraw/zinc/12/86/78/1384128678.db2.gz HWNLJVLLIKELOH-NRFANRHFSA-N 2 0 327.516 3.166 20 0 EGADRP CC[NH+]1CCC(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169263730 1384129255 /nfs/dbraw/zinc/12/92/55/1384129255.db2.gz APTFMGOJXSGJPC-NRFANRHFSA-N 2 0 327.516 3.069 20 0 EGADRP C[NH+]1CCC2(C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C2)CC1 ZINC001169305995 1384134454 /nfs/dbraw/zinc/13/44/54/1384134454.db2.gz UOBVEJSTMLFHQD-UHFFFAOYSA-N 2 0 342.483 3.182 20 0 EGADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001308684234 1384142327 /nfs/dbraw/zinc/14/23/27/1384142327.db2.gz QUZBDYRWINLOJK-IAGOWNOFSA-N 2 0 347.503 3.266 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169452749 1384149680 /nfs/dbraw/zinc/14/96/80/1384149680.db2.gz RBYVOELXTNUYEB-MISYRCLQSA-N 2 0 345.531 3.406 20 0 EGADRP CC(=O)N1CC[C@H]([N@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527262 1384156467 /nfs/dbraw/zinc/15/64/67/1384156467.db2.gz SZRZHRNMJCYKOH-FHWLQOOXSA-N 2 0 349.906 3.033 20 0 EGADRP CCOC(=O)C1(C)CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001308897322 1384157608 /nfs/dbraw/zinc/15/76/08/1384157608.db2.gz JJHSZCBHEAEVJI-AJCBRXLXSA-N 2 0 344.499 3.076 20 0 EGADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169756313 1384183112 /nfs/dbraw/zinc/18/31/12/1384183112.db2.gz HZNQCXRYBFOCPG-QUCCMNQESA-N 2 0 343.515 3.132 20 0 EGADRP CC[C@@H]1C[C@@H]([N@H+](C)C[C@@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476653 1384326974 /nfs/dbraw/zinc/32/69/74/1384326974.db2.gz ZGJPAVJPMWEPBQ-NXOAAHMSSA-N 2 0 341.540 3.470 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170749889 1384377469 /nfs/dbraw/zinc/37/74/69/1384377469.db2.gz DHDADQJLWYBZHE-QZTJIDSGSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170821160 1384392236 /nfs/dbraw/zinc/39/22/36/1384392236.db2.gz ZVUGOGXIRGTMEY-LPHOPBHVSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170851944 1384398638 /nfs/dbraw/zinc/39/86/38/1384398638.db2.gz VTEZZWFJHMIOJW-DYVFJYSZSA-N 2 0 337.305 3.238 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001170867073 1384401615 /nfs/dbraw/zinc/40/16/15/1384401615.db2.gz BTORIHLOYRWKOE-FQEVSTJZSA-N 2 0 343.515 3.276 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]CCC1CCCC1)c1ccccc1 ZINC001170867361 1384401652 /nfs/dbraw/zinc/40/16/52/1384401652.db2.gz FGGOKZAIOSUCGC-FQEVSTJZSA-N 2 0 345.531 3.356 20 0 EGADRP [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc([C@H]4CCC[NH2+]4)cn3)c2C1 ZINC001171091266 1384444098 /nfs/dbraw/zinc/44/40/98/1384444098.db2.gz RAPIXJBYVKOWRK-MAUKXSAKSA-N 2 0 332.451 3.266 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001171173437 1384460336 /nfs/dbraw/zinc/46/03/36/1384460336.db2.gz CNYBVDANSILZSO-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001171173684 1384460807 /nfs/dbraw/zinc/46/08/07/1384460807.db2.gz FSFNKDFBIADVPA-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC001316601711 1384468507 /nfs/dbraw/zinc/46/85/07/1384468507.db2.gz IEKCBOYSANQTGO-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235191 1384476165 /nfs/dbraw/zinc/47/61/65/1384476165.db2.gz FYIPZMTVLZRIAX-DVBCCOPCSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001171236132 1384476467 /nfs/dbraw/zinc/47/64/67/1384476467.db2.gz LHJXWNKAZKDINH-MJGOQNOKSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238575 1384476493 /nfs/dbraw/zinc/47/64/93/1384476493.db2.gz WBPRKNQOPYHQSL-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001171246016 1384477668 /nfs/dbraw/zinc/47/76/68/1384477668.db2.gz DDVXUBDRITUSBO-FXAWDEMLSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171248495 1384478318 /nfs/dbraw/zinc/47/83/18/1384478318.db2.gz VWHBEAARXRDBCJ-RTBURBONSA-N 2 0 337.552 3.480 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260227 1384481205 /nfs/dbraw/zinc/48/12/05/1384481205.db2.gz FYYSIQGHQVVCJA-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001171261636 1384481626 /nfs/dbraw/zinc/48/16/26/1384481626.db2.gz XIMJUUFLWOSQJZ-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP [NH3+]C1(c2ccc(NCc3ccccc3N3CC[NH2+]CC3)cc2)CCC1 ZINC001171286598 1384486202 /nfs/dbraw/zinc/48/62/02/1384486202.db2.gz YJZUYAUTYFYSSB-UHFFFAOYSA-N 2 0 336.483 3.046 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001171311184 1384491742 /nfs/dbraw/zinc/49/17/42/1384491742.db2.gz OFYATFPIFNUEPL-QGZVFWFLSA-N 2 0 343.515 3.063 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001171358206 1384501108 /nfs/dbraw/zinc/50/11/08/1384501108.db2.gz CSGFWTMKNCNTEX-ICSRJNTNSA-N 2 0 347.547 3.346 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C)c1ccccc1 ZINC001171362273 1384502527 /nfs/dbraw/zinc/50/25/27/1384502527.db2.gz NSBKEGYQTZJIAZ-SFHVURJKSA-N 2 0 340.471 3.008 20 0 EGADRP Fc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001171412043 1384516210 /nfs/dbraw/zinc/51/62/10/1384516210.db2.gz RLNKTBNXPFVHPU-LJQANCHMSA-N 2 0 346.490 3.164 20 0 EGADRP Fc1cc2c(cc1F)C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171465120 1384530381 /nfs/dbraw/zinc/53/03/81/1384530381.db2.gz GHYWPYOOWPHRJE-KRWDZBQOSA-N 2 0 343.421 3.476 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171500275 1384543244 /nfs/dbraw/zinc/54/32/44/1384543244.db2.gz KBOMKIIWYWASEZ-FXAWDEMLSA-N 2 0 347.547 3.354 20 0 EGADRP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CCCC[NH+]1CCCC1)CC2 ZINC001171507178 1384545053 /nfs/dbraw/zinc/54/50/53/1384545053.db2.gz KYXZGJQRKBVYMR-CQSZACIVSA-N 2 0 326.406 3.427 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171537784 1384555702 /nfs/dbraw/zinc/55/57/02/1384555702.db2.gz HJNHPMIBQKQJQE-LPHOPBHVSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171538912 1384556411 /nfs/dbraw/zinc/55/64/11/1384556411.db2.gz PPWGQYAYDORALD-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@H]2C1 ZINC001171546202 1384558614 /nfs/dbraw/zinc/55/86/14/1384558614.db2.gz HAXRBERYHRWLDF-RBSFLKMASA-N 2 0 338.417 3.235 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586584 1384572632 /nfs/dbraw/zinc/57/26/32/1384572632.db2.gz PULUDGSMAPMQQB-INIZCTEOSA-N 2 0 327.557 3.418 20 0 EGADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171593656 1384573532 /nfs/dbraw/zinc/57/35/32/1384573532.db2.gz QARSPOIADKIDMC-PMPSAXMXSA-N 2 0 341.540 3.327 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC001171622172 1384583148 /nfs/dbraw/zinc/58/31/48/1384583148.db2.gz WSVHCOHAQVUVPL-OAHLLOKOSA-N 2 0 339.524 3.237 20 0 EGADRP COCC1([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)Cc2ccccc2C1 ZINC001171628623 1384585337 /nfs/dbraw/zinc/58/53/37/1384585337.db2.gz DCSUIYVKTAFVHZ-UHFFFAOYSA-N 2 0 330.516 3.411 20 0 EGADRP Cc1nccnc1O[C@@H]1CCC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641354 1384589341 /nfs/dbraw/zinc/58/93/41/1384589341.db2.gz PQOACIHJZBDEBF-QGZVFWFLSA-N 2 0 346.519 3.280 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC1(C)C ZINC001171641931 1384589526 /nfs/dbraw/zinc/58/95/26/1384589526.db2.gz WKGJBPBAKKVEAZ-MRXNPFEDSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171646022 1384591400 /nfs/dbraw/zinc/59/14/00/1384591400.db2.gz HBJDTXVUWRBYLP-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171665793 1384595618 /nfs/dbraw/zinc/59/56/18/1384595618.db2.gz PYXSOLZVRDXCAI-QGZVFWFLSA-N 2 0 332.488 3.063 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744833 1384623532 /nfs/dbraw/zinc/62/35/32/1384623532.db2.gz IHMJFDJTSGTUAS-JYRKZWEQSA-N 2 0 329.532 3.358 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001171780216 1384633712 /nfs/dbraw/zinc/63/37/12/1384633712.db2.gz GJLWZNDITDXZJZ-IBGZPJMESA-N 2 0 346.490 3.021 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812242 1384646827 /nfs/dbraw/zinc/64/68/27/1384646827.db2.gz NIZBFZPXMODTJP-CVEARBPZSA-N 2 0 330.476 3.259 20 0 EGADRP CC[C@@H]1C[C@H]([N@H+](C)C[C@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817073 1384648702 /nfs/dbraw/zinc/64/87/02/1384648702.db2.gz ZGJPAVJPMWEPBQ-NCOADZHNSA-N 2 0 341.540 3.470 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171864070 1384664775 /nfs/dbraw/zinc/66/47/75/1384664775.db2.gz LJAGTJJUIFLHSN-HXUWFJFHSA-N 2 0 343.515 3.003 20 0 EGADRP CC(C)(C)OC(=O)C1CCC([NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001171921787 1384682609 /nfs/dbraw/zinc/68/26/09/1384682609.db2.gz LWIHMEBGZGYWIN-UHFFFAOYSA-N 2 0 345.487 3.104 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171924462 1384683814 /nfs/dbraw/zinc/68/38/14/1384683814.db2.gz PEOLNAXLERLIOI-QGZVFWFLSA-N 2 0 333.520 3.079 20 0 EGADRP CCOC(=O)C1(C)CCC([NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001171957487 1384695771 /nfs/dbraw/zinc/69/57/71/1384695771.db2.gz QHDMBVFKBYUHHA-UHFFFAOYSA-N 2 0 336.520 3.449 20 0 EGADRP CNC(=O)[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C ZINC001171977271 1384700534 /nfs/dbraw/zinc/70/05/34/1384700534.db2.gz ZWVCMQBFOBTNJQ-ZWKOTPCHSA-N 2 0 345.531 3.180 20 0 EGADRP COCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978998 1384702229 /nfs/dbraw/zinc/70/22/29/1384702229.db2.gz JYJAANNEBCNKSN-LJQANCHMSA-N 2 0 334.504 3.072 20 0 EGADRP CN(CC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988503 1384705856 /nfs/dbraw/zinc/70/58/56/1384705856.db2.gz SDNWKMRJOJOEAU-HXUWFJFHSA-N 2 0 329.532 3.457 20 0 EGADRP CCN1CC[C@H]([N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172034334 1384712577 /nfs/dbraw/zinc/71/25/77/1384712577.db2.gz AOMUYQUVIAEDLU-UFYCRDLUSA-N 2 0 343.515 3.078 20 0 EGADRP COC(=O)[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067779 1384716327 /nfs/dbraw/zinc/71/63/27/1384716327.db2.gz FPETYVIDVDTSDC-VNTMZGSJSA-N 2 0 342.483 3.067 20 0 EGADRP CCC[N@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172078514 1384721480 /nfs/dbraw/zinc/72/14/80/1384721480.db2.gz CAMVWIZXHCCYAL-FVQHAEBGSA-N 2 0 339.524 3.368 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001172100230 1384726508 /nfs/dbraw/zinc/72/65/08/1384726508.db2.gz BOUDGGDYKJLJGT-PLACYPQZSA-N 2 0 327.516 3.428 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C2 ZINC001172106564 1384728781 /nfs/dbraw/zinc/72/87/81/1384728781.db2.gz QENXXDFVAHHDKW-WCXIOVBPSA-N 2 0 342.405 3.344 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001172110978 1384729869 /nfs/dbraw/zinc/72/98/69/1384729869.db2.gz NERSSGKDOOZXTR-ACDBMABISA-N 2 0 327.516 3.038 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001316991584 1384748799 /nfs/dbraw/zinc/74/87/99/1384748799.db2.gz JYAHEQRKTJZPHB-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001317007286 1384770282 /nfs/dbraw/zinc/77/02/82/1384770282.db2.gz XGJHYOWQBDRLOB-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172333012 1384772092 /nfs/dbraw/zinc/77/20/92/1384772092.db2.gz IZHFPSUAGWZITO-XSLAGTTESA-N 2 0 326.525 3.331 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172376438 1384780585 /nfs/dbraw/zinc/78/05/85/1384780585.db2.gz UHIZKGNUVRKQLQ-JBYOPCTKSA-N 2 0 334.548 3.491 20 0 EGADRP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C[C@H]1C ZINC001172374924 1384780596 /nfs/dbraw/zinc/78/05/96/1384780596.db2.gz QFBZLEHNQIBLJC-XGAGZNTDSA-N 2 0 334.548 3.491 20 0 EGADRP COc1cccc(CC2([NH3+])CC[NH+]([C@@H](C)CCOCC(C)C)CC2)c1 ZINC001172466884 1384798928 /nfs/dbraw/zinc/79/89/28/1384798928.db2.gz HMRXMKOCRDJLPL-SFHVURJKSA-N 2 0 348.531 3.482 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317037401 1384808454 /nfs/dbraw/zinc/80/84/54/1384808454.db2.gz RPRGNJDIYWRFLJ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172599827 1384817114 /nfs/dbraw/zinc/81/71/14/1384817114.db2.gz XJSQIDLFVXCQLE-ROUUACIJSA-N 2 0 336.520 3.353 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001172621762 1384821286 /nfs/dbraw/zinc/82/12/86/1384821286.db2.gz GKEIUDNTTUAJIG-ROUUACIJSA-N 2 0 334.504 3.059 20 0 EGADRP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172630015 1384822398 /nfs/dbraw/zinc/82/23/98/1384822398.db2.gz BTTZYGQXVKJFEK-VVLHAWIVSA-N 2 0 339.524 3.414 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1)CC(C)(C)CC[NH3+] ZINC001172664413 1384829805 /nfs/dbraw/zinc/82/98/05/1384829805.db2.gz ODPULWABRQYKNO-PKOBYXMFSA-N 2 0 345.531 3.168 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001172767536 1384847604 /nfs/dbraw/zinc/84/76/04/1384847604.db2.gz HLQMIVOZXKWTJZ-ZCNNSNEGSA-N 2 0 344.499 3.220 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2 ZINC001172843510 1384864057 /nfs/dbraw/zinc/86/40/57/1384864057.db2.gz SRQUPHOPUMETIK-ROUUACIJSA-N 2 0 347.503 3.032 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001172960871 1384890229 /nfs/dbraw/zinc/89/02/29/1384890229.db2.gz YEMQPUGWYBAFNJ-CQSZACIVSA-N 2 0 346.475 3.356 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172974494 1384893215 /nfs/dbraw/zinc/89/32/15/1384893215.db2.gz KJDUFANCLSOLOD-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCOc2ccc3c(c2)OCO3)CC1 ZINC001173102938 1384915689 /nfs/dbraw/zinc/91/56/89/1384915689.db2.gz DIVCYBIEBKUABK-UHFFFAOYSA-N 2 0 334.460 3.037 20 0 EGADRP CC[NH+](CC)C1CCC(N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173107070 1384916112 /nfs/dbraw/zinc/91/61/12/1384916112.db2.gz VKKPFTJUVZFMJO-BIZGZAPZSA-N 2 0 345.535 3.206 20 0 EGADRP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173113493 1384918010 /nfs/dbraw/zinc/91/80/10/1384918010.db2.gz QWIHYOQBAZNRPH-HJTRDACESA-N 2 0 336.520 3.303 20 0 EGADRP COc1cccc2c1C[C@@H]([N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173161463 1384927881 /nfs/dbraw/zinc/92/78/81/1384927881.db2.gz QMHCJILOSPUGJJ-BRWVUGGUSA-N 2 0 332.488 3.227 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001317193933 1384968533 /nfs/dbraw/zinc/96/85/33/1384968533.db2.gz DBFYLNCXBKARNQ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001317196343 1384970040 /nfs/dbraw/zinc/97/00/40/1384970040.db2.gz AHDTYLHPFUGBCL-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001173441958 1384971305 /nfs/dbraw/zinc/97/13/05/1384971305.db2.gz BKWYHDNLRQLVEN-MRXNPFEDSA-N 2 0 348.487 3.067 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001173453045 1384973256 /nfs/dbraw/zinc/97/32/56/1384973256.db2.gz XBZCQPCRBZCMGA-QGZVFWFLSA-N 2 0 336.520 3.449 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C)CC2 ZINC001173614319 1384988432 /nfs/dbraw/zinc/98/84/32/1384988432.db2.gz SUGIQIQWKKLVDT-BCOABZSFSA-N 2 0 336.520 3.207 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173619405 1384990268 /nfs/dbraw/zinc/99/02/68/1384990268.db2.gz ARSBBXCXTBEQDA-VAMGGRTRSA-N 2 0 344.499 3.220 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC001173717878 1385008479 /nfs/dbraw/zinc/00/84/79/1385008479.db2.gz USVDEOKZSRDHTF-KRWDZBQOSA-N 2 0 332.488 3.260 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC001173723513 1385009705 /nfs/dbraw/zinc/00/97/05/1385009705.db2.gz IIGBTMXFCNHOMQ-TXPKVOOTSA-N 2 0 332.488 3.113 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001173932694 1385033269 /nfs/dbraw/zinc/03/32/69/1385033269.db2.gz VFHBLCGOZJSFCG-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001317356768 1385102605 /nfs/dbraw/zinc/10/26/05/1385102605.db2.gz OPGUHHFCCWBKCY-PMACEKPBSA-N 2 0 345.531 3.108 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174882330 1385164670 /nfs/dbraw/zinc/16/46/70/1385164670.db2.gz QJWOGSBVSJAOTN-MSOLQXFVSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCC[NH+](C)C ZINC001174947456 1385172643 /nfs/dbraw/zinc/17/26/43/1385172643.db2.gz BFMKETQALBIKCC-SFHVURJKSA-N 2 0 337.552 3.483 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001174948063 1385173190 /nfs/dbraw/zinc/17/31/90/1385173190.db2.gz ICCACPORZJYPGS-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CCc1ccccc1CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175048845 1385186078 /nfs/dbraw/zinc/18/60/78/1385186078.db2.gz LJNKVASCPJEYAK-SFHVURJKSA-N 2 0 347.547 3.008 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)cc1C ZINC001175048878 1385186125 /nfs/dbraw/zinc/18/61/25/1385186125.db2.gz MFPRHLXRKCXDFJ-GOSISDBHSA-N 2 0 333.520 3.020 20 0 EGADRP C[C@H](CCCC[NH2+][C@H]1CCc2c1cccc2F)NC(=O)CC[NH+](C)C ZINC001175048058 1385186189 /nfs/dbraw/zinc/18/61/89/1385186189.db2.gz FSEHKTFYXFYYEQ-BEFAXECRSA-N 2 0 349.494 3.029 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175055244 1385187215 /nfs/dbraw/zinc/18/72/15/1385187215.db2.gz GALAYWPQMVCKBY-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1cc2ccccc2o1)NC(=O)CC[NH+](C)C ZINC001175055833 1385187290 /nfs/dbraw/zinc/18/72/90/1385187290.db2.gz IAPRKYHHVDHBEY-INIZCTEOSA-N 2 0 345.487 3.149 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001175057249 1385187587 /nfs/dbraw/zinc/18/75/87/1385187587.db2.gz YBMMLQQCFBXUCV-MRXNPFEDSA-N 2 0 337.552 3.029 20 0 EGADRP CCc1ccccc1C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001317492728 1385194106 /nfs/dbraw/zinc/19/41/06/1385194106.db2.gz PNPXRSFEJRLWRM-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001175108580 1385196340 /nfs/dbraw/zinc/19/63/40/1385196340.db2.gz UFFFACMWDWHIDQ-PKOBYXMFSA-N 2 0 339.568 3.418 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175115777 1385197442 /nfs/dbraw/zinc/19/74/42/1385197442.db2.gz XYGFHILHIMUYFC-SJLPKXTDSA-N 2 0 327.557 3.273 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)[NH+](CC)CC ZINC001175218537 1385223827 /nfs/dbraw/zinc/22/38/27/1385223827.db2.gz SPVVAKZCTALDHL-ZWKOTPCHSA-N 2 0 327.557 3.418 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256257 1385231218 /nfs/dbraw/zinc/23/12/18/1385231218.db2.gz JZYHTSMEPPDEFZ-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273485 1385238172 /nfs/dbraw/zinc/23/81/72/1385238172.db2.gz SGSDZFNWSJUJNS-IPLHWJFFSA-N 2 0 337.552 3.339 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317520621 1385239172 /nfs/dbraw/zinc/23/91/72/1385239172.db2.gz PEFDUSXEBSCKMQ-MJGOQNOKSA-N 2 0 343.515 3.060 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175297812 1385242618 /nfs/dbraw/zinc/24/26/18/1385242618.db2.gz XEUOOWXPSMBLBP-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001175307158 1385247084 /nfs/dbraw/zinc/24/70/84/1385247084.db2.gz VPVVMDZQMGIAHB-WMZOPIPTSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001175315328 1385249653 /nfs/dbraw/zinc/24/96/53/1385249653.db2.gz DQLDWEHNGIFLQR-HKUYNNGSSA-N 2 0 337.552 3.482 20 0 EGADRP COc1ccc2[nH+]c(N)n(C3=CC[N@H+](Cc4ccccc4)CC3)c2c1 ZINC001175505579 1385315112 /nfs/dbraw/zinc/31/51/12/1385315112.db2.gz SXEKVBISTLLSSB-UHFFFAOYSA-N 2 0 334.423 3.374 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175573587 1385336531 /nfs/dbraw/zinc/33/65/31/1385336531.db2.gz OZSKXRXPVLTUNM-OALUTQOASA-N 2 0 337.552 3.480 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581475 1385338911 /nfs/dbraw/zinc/33/89/11/1385338911.db2.gz MOHPDMJWPUUGIT-GOSISDBHSA-N 2 0 345.531 3.183 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001317641714 1385369525 /nfs/dbraw/zinc/36/95/25/1385369525.db2.gz KMRDVNMDIUCPIX-LJQANCHMSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001317678781 1385386808 /nfs/dbraw/zinc/38/68/08/1385386808.db2.gz YGSRSZJFALTSPQ-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)C(C)C ZINC001175747456 1385394597 /nfs/dbraw/zinc/39/45/97/1385394597.db2.gz PHVJBCBGGBLNEG-FUHWJXTLSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001175767381 1385398924 /nfs/dbraw/zinc/39/89/24/1385398924.db2.gz GARLDLJOAITCAS-HVEPWOEZSA-N 2 0 345.531 3.306 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cnn(C3CCCCC3)c2)CC1 ZINC001175878044 1385428489 /nfs/dbraw/zinc/42/84/89/1385428489.db2.gz LNELTTSEXLSJAR-UHFFFAOYSA-N 2 0 340.475 3.279 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F)CC1 ZINC001175968014 1385447863 /nfs/dbraw/zinc/44/78/63/1385447863.db2.gz SLTJOUGFOMXQDF-SJORKVTESA-N 2 0 343.531 3.120 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176023014 1385463256 /nfs/dbraw/zinc/46/32/56/1385463256.db2.gz FOCMFRKZIKIOKS-SFHVURJKSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176110666 1385486443 /nfs/dbraw/zinc/48/64/43/1385486443.db2.gz AWHARVZUIHIGAB-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001176111411 1385486831 /nfs/dbraw/zinc/48/68/31/1385486831.db2.gz HQSTXLOKLJCQTR-ROUUACIJSA-N 2 0 325.541 3.314 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112349 1385487920 /nfs/dbraw/zinc/48/79/20/1385487920.db2.gz PZQKAOPUZIEDGJ-UWJYYQICSA-N 2 0 345.531 3.138 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184971 1385505110 /nfs/dbraw/zinc/50/51/10/1385505110.db2.gz QRWUCAKJBBBREM-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(CC)cc1 ZINC001176283938 1385538683 /nfs/dbraw/zinc/53/86/83/1385538683.db2.gz BIIUSSZIBBTQMZ-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001176309522 1385547258 /nfs/dbraw/zinc/54/72/58/1385547258.db2.gz VDBXJDVOLPGLDT-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001317875057 1385553948 /nfs/dbraw/zinc/55/39/48/1385553948.db2.gz BIMAEGVBBFCVFU-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001176583820 1385632420 /nfs/dbraw/zinc/63/24/20/1385632420.db2.gz XGPBOPAORWKNIF-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001176650009 1385646250 /nfs/dbraw/zinc/64/62/50/1385646250.db2.gz NDDCXFIILJPJLZ-IBGZPJMESA-N 2 0 330.472 3.058 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001176728549 1385674408 /nfs/dbraw/zinc/67/44/08/1385674408.db2.gz LOJXVZDAFRCIOB-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746759 1385680132 /nfs/dbraw/zinc/68/01/32/1385680132.db2.gz LUEBBBJWUWUHTD-QGZVFWFLSA-N 2 0 333.520 3.282 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001176931243 1385746347 /nfs/dbraw/zinc/74/63/47/1385746347.db2.gz XIFLRDDFAPPAON-UHFFFAOYSA-N 2 0 345.531 3.084 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001176991960 1385765564 /nfs/dbraw/zinc/76/55/64/1385765564.db2.gz GNEJUIFUMOFNHP-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001176991455 1385766281 /nfs/dbraw/zinc/76/62/81/1385766281.db2.gz BTXHYKONNWIJLK-PMACEKPBSA-N 2 0 345.531 3.354 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997546 1385768425 /nfs/dbraw/zinc/76/84/25/1385768425.db2.gz RDYIIAUYSXZKAN-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001318958775 1385897650 /nfs/dbraw/zinc/89/76/50/1385897650.db2.gz ISRRGFUDFWUNSE-CGBFIWBNSA-N 2 0 345.531 3.413 20 0 EGADRP Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1 ZINC001318979501 1385907297 /nfs/dbraw/zinc/90/72/97/1385907297.db2.gz QRNWOCBRNLWUCF-UFYCRDLUSA-N 2 0 345.531 3.098 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]CCCC(C)C)o1 ZINC001177318217 1385911915 /nfs/dbraw/zinc/91/19/15/1385911915.db2.gz YIFHGVMPBQFMOH-UHFFFAOYSA-N 2 0 337.508 3.267 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]CCCC2CCC2)o1 ZINC001177318154 1385912393 /nfs/dbraw/zinc/91/23/93/1385912393.db2.gz UAHOSGAFTFEBFD-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)c1ccccc1F ZINC001177336830 1385918991 /nfs/dbraw/zinc/91/89/91/1385918991.db2.gz YPMWRUJJIQEQHO-KRWDZBQOSA-N 2 0 349.494 3.249 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001177336765 1385918997 /nfs/dbraw/zinc/91/89/97/1385918997.db2.gz WGRWJIHORJPDCG-KRWDZBQOSA-N 2 0 349.494 3.249 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]CC[C@H](C)F)CC1CCCC1)[NH+](C)C ZINC001177348635 1385924397 /nfs/dbraw/zinc/92/43/97/1385924397.db2.gz LOQDAONIDPYOPQ-FUHWJXTLSA-N 2 0 343.531 3.073 20 0 EGADRP C[NH+](C)CC1(C(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)CC1 ZINC001177398123 1385942603 /nfs/dbraw/zinc/94/26/03/1385942603.db2.gz LNOAKLGMQJEYIU-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177402599 1385944238 /nfs/dbraw/zinc/94/42/38/1385944238.db2.gz QKKQLVLGGCHOMD-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP C[NH+]1CCC(C(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)CC1 ZINC001177406644 1385945553 /nfs/dbraw/zinc/94/55/53/1385945553.db2.gz XKHRBQXJKUTXPQ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[NH+](CC)CC(=O)N(CCC[NH2+]CC=C(C)C)CC1CCCC1 ZINC001177445141 1385958546 /nfs/dbraw/zinc/95/85/46/1385958546.db2.gz ACXXRMCMUDCBGU-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)CCCC[NH+](C)C ZINC001177467224 1385967606 /nfs/dbraw/zinc/96/76/06/1385967606.db2.gz WURAECIMHRKFKX-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP Cc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC001177570556 1385999471 /nfs/dbraw/zinc/99/94/71/1385999471.db2.gz JLKTVACJQRNIKH-UHFFFAOYSA-N 2 0 335.923 3.297 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC001319207506 1386006086 /nfs/dbraw/zinc/00/60/86/1386006086.db2.gz NFMMKDGAPYKABM-FQEVSTJZSA-N 2 0 339.458 3.355 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001319353544 1386076079 /nfs/dbraw/zinc/07/60/79/1386076079.db2.gz NIPWPNRWOVYJSZ-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]CC2CCC2)CCCC1 ZINC001319388971 1386098748 /nfs/dbraw/zinc/09/87/48/1386098748.db2.gz FSKBKNNSSIQRMU-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CCc1cccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001178045058 1386114570 /nfs/dbraw/zinc/11/45/70/1386114570.db2.gz BKEAEHWNKUOZEO-HXUWFJFHSA-N 2 0 345.531 3.109 20 0 EGADRP CC(C)Oc1cccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001178377556 1386201372 /nfs/dbraw/zinc/20/13/72/1386201372.db2.gz MZMHCGKZYJUODV-UHFFFAOYSA-N 2 0 340.471 3.233 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001319714902 1386265709 /nfs/dbraw/zinc/26/57/09/1386265709.db2.gz PZAHXSVAEDTMHG-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178705624 1386285227 /nfs/dbraw/zinc/28/52/27/1386285227.db2.gz WKDRYCWNULLWBD-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC1(C)CCC[C@H](C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC001178778202 1386300999 /nfs/dbraw/zinc/30/09/99/1386300999.db2.gz JHIJUPQOKMSIRG-FXAWDEMLSA-N 2 0 330.516 3.212 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001178815669 1386316410 /nfs/dbraw/zinc/31/64/10/1386316410.db2.gz JHQGFZAWDAGBLY-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001178828284 1386320221 /nfs/dbraw/zinc/32/02/21/1386320221.db2.gz TXSHQFIYABTGPD-HXUWFJFHSA-N 2 0 345.531 3.246 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178828700 1386320516 /nfs/dbraw/zinc/32/05/16/1386320516.db2.gz YCYLOQMWAJJQDV-SFFCAUCYSA-N 2 0 337.552 3.483 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178891389 1386340182 /nfs/dbraw/zinc/34/01/82/1386340182.db2.gz QYZOHWPSYUVHQG-FHWLQOOXSA-N 2 0 337.552 3.409 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178915197 1386347344 /nfs/dbraw/zinc/34/73/44/1386347344.db2.gz AWWAEVHGAVTPRS-OALUTQOASA-N 2 0 339.568 3.419 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)c1ccn2c[nH+]cc2c1 ZINC001178947197 1386358500 /nfs/dbraw/zinc/35/85/00/1386358500.db2.gz JPKNCFPEGWNWQF-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c1 ZINC001319919118 1386390607 /nfs/dbraw/zinc/39/06/07/1386390607.db2.gz SHIMCZQPVXKXLU-HXUWFJFHSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179134255 1386407207 /nfs/dbraw/zinc/40/72/07/1386407207.db2.gz JNLNUFUSZYPPRZ-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179233841 1386427532 /nfs/dbraw/zinc/42/75/32/1386427532.db2.gz DBNYQIUUMGWGAX-RJCMGOLDSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]CCCCCF)CC[N@@H+]1C ZINC001179383468 1386468890 /nfs/dbraw/zinc/46/88/90/1386468890.db2.gz YGHIEICXQPUIPA-ROUUACIJSA-N 2 0 343.531 3.123 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC(C)C)[C@@H]2C)C1 ZINC001179388961 1386472279 /nfs/dbraw/zinc/47/22/79/1386472279.db2.gz VDFQERPBKOGEPV-OTWHNJEPSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001179396120 1386474569 /nfs/dbraw/zinc/47/45/69/1386474569.db2.gz XOSFRYHMWHOYHH-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179404064 1386477397 /nfs/dbraw/zinc/47/73/97/1386477397.db2.gz ZLAPTXACJLPEDU-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461362 1386486949 /nfs/dbraw/zinc/48/69/49/1386486949.db2.gz IIFQZUQNVZHEPR-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP Cc1ccccc1CCC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179463344 1386487853 /nfs/dbraw/zinc/48/78/53/1386487853.db2.gz FLPNWLXTDFDJBD-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC1CCC(F)(F)CC1 ZINC001179464532 1386488686 /nfs/dbraw/zinc/48/86/86/1386488686.db2.gz WJZRTHVQXQIZJT-UHFFFAOYSA-N 2 0 347.494 3.030 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179580622 1386521826 /nfs/dbraw/zinc/52/18/26/1386521826.db2.gz KHDJEAWCXSMSMY-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179651039 1386540388 /nfs/dbraw/zinc/54/03/88/1386540388.db2.gz DGDOTNIMWVDIPL-OTWHNJEPSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652057 1386541080 /nfs/dbraw/zinc/54/10/80/1386541080.db2.gz MFUSPWGSESQEFO-OISZBXDOSA-N 2 0 335.536 3.186 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001179779211 1386581677 /nfs/dbraw/zinc/58/16/77/1386581677.db2.gz FFYBQQRSBRSZOH-FNYRVFDFSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788041 1386585921 /nfs/dbraw/zinc/58/59/21/1386585921.db2.gz KQKATWXMUAPMMS-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CCCF ZINC001179838584 1386602076 /nfs/dbraw/zinc/60/20/76/1386602076.db2.gz FLVOGSWHVYUBOG-UHFFFAOYSA-N 2 0 331.520 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC1 ZINC001179838725 1386602984 /nfs/dbraw/zinc/60/29/84/1386602984.db2.gz MURGOVDKOQZKTM-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001179843036 1386604649 /nfs/dbraw/zinc/60/46/49/1386604649.db2.gz NZMYQWRXNCMYMV-SFHVURJKSA-N 2 0 327.557 3.419 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968377 1386652327 /nfs/dbraw/zinc/65/23/27/1386652327.db2.gz SFCKQDPSEMUOHK-HKUYNNGSSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065589 1386685610 /nfs/dbraw/zinc/68/56/10/1386685610.db2.gz UXPNJFXIYCMUHB-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180156775 1386716986 /nfs/dbraw/zinc/71/69/86/1386716986.db2.gz FSYALOLSCKVOJC-OJBOGMDESA-N 2 0 335.536 3.188 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C)cs1 ZINC001180204687 1386732043 /nfs/dbraw/zinc/73/20/43/1386732043.db2.gz ZLLLGVXKZMLXLA-WMZOPIPTSA-N 2 0 349.544 3.012 20 0 EGADRP Cc1c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)ccc2c[nH+]cn21 ZINC001320839823 1386734398 /nfs/dbraw/zinc/73/43/98/1386734398.db2.gz ONIHPOQMFYNYSW-UHFFFAOYSA-N 2 0 334.423 3.491 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001180264229 1386750206 /nfs/dbraw/zinc/75/02/06/1386750206.db2.gz CWAKMSRUIMAYNG-HXUWFJFHSA-N 2 0 345.531 3.021 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180294347 1386757512 /nfs/dbraw/zinc/75/75/12/1386757512.db2.gz BEISAZBJLMPCOC-UHFFFAOYSA-N 2 0 325.541 3.319 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180353017 1386772367 /nfs/dbraw/zinc/77/23/67/1386772367.db2.gz YIDDPLAIKBCXKB-HDICACEKSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CCCF)[NH+]1CCCCC1 ZINC001180373047 1386778047 /nfs/dbraw/zinc/77/80/47/1386778047.db2.gz OYPROFIVWDOBSI-SFHVURJKSA-N 2 0 343.531 3.123 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180451490 1386800981 /nfs/dbraw/zinc/80/09/81/1386800981.db2.gz CFXXRFVRJXYYHP-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP COc1ccc(C(C)(C)C[N@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC001181235196 1386964500 /nfs/dbraw/zinc/96/45/00/1386964500.db2.gz RNSMDRSWOLBGEN-UHFFFAOYSA-N 2 0 334.504 3.399 20 0 EGADRP COc1cc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)ccn1 ZINC001181276600 1386971217 /nfs/dbraw/zinc/97/12/17/1386971217.db2.gz OTKAKVJNDHGFEU-QFBILLFUSA-N 2 0 331.504 3.408 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001322035558 1387035656 /nfs/dbraw/zinc/03/56/56/1387035656.db2.gz YGUMQYCSYSPJCU-HOTGVXAUSA-N 2 0 349.494 3.101 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@]1(C)C[NH2+]CC1=CCCCC1 ZINC001181727667 1387046272 /nfs/dbraw/zinc/04/62/72/1387046272.db2.gz BDMXMYAAJKPHJY-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001182001972 1387091894 /nfs/dbraw/zinc/09/18/94/1387091894.db2.gz XREUSPHEEAPZMH-SFHLNBCPSA-N 2 0 349.563 3.147 20 0 EGADRP Cc1cc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001322183394 1387092607 /nfs/dbraw/zinc/09/26/07/1387092607.db2.gz QUQLRNPKDRNJJG-QUCCMNQESA-N 2 0 347.547 3.135 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322229285 1387110820 /nfs/dbraw/zinc/11/08/20/1387110820.db2.gz AAHNOYNUSHPVID-YJBOKZPZSA-N 2 0 349.494 3.055 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N(C)CC[NH+]1CCCC1)c1ccccc1 ZINC001182233885 1387127776 /nfs/dbraw/zinc/12/77/76/1387127776.db2.gz KHLPROJUXURPRX-HXUWFJFHSA-N 2 0 345.531 3.404 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N[C@]1(C)CCC[NH+](C)C1)c1ccccc1 ZINC001182238558 1387128828 /nfs/dbraw/zinc/12/88/28/1387128828.db2.gz XWCIQSSIOQZSLD-PZJWPPBQSA-N 2 0 345.531 3.450 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)NCC[C@H]1CCC[NH+]1C)c1ccccc1 ZINC001182236544 1387129481 /nfs/dbraw/zinc/12/94/81/1387129481.db2.gz ROUGSCRPOVFORG-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001182516268 1387181190 /nfs/dbraw/zinc/18/11/90/1387181190.db2.gz DRIQSPLGEKICMF-MBOZVWFJSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589516 1387192818 /nfs/dbraw/zinc/19/28/18/1387192818.db2.gz HAEWMMZJJKXOTF-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614178 1387196432 /nfs/dbraw/zinc/19/64/32/1387196432.db2.gz FBTPEWVUUKSMGY-WSTZPKSXSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC001330793334 1389529537 /nfs/dbraw/zinc/52/95/37/1389529537.db2.gz IHPQYHGWRORKBY-PJCOJXEDSA-N 2 0 329.669 3.417 20 0 EGADRP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C/C=C/c1ccccc1 ZINC001331562470 1389800131 /nfs/dbraw/zinc/80/01/31/1389800131.db2.gz ZHGGNXGNLJDGCJ-HGZMWJMZSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC001331966613 1389928293 /nfs/dbraw/zinc/92/82/93/1389928293.db2.gz UBWHLUATXQEFOA-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]C1 ZINC001332120322 1389996563 /nfs/dbraw/zinc/99/65/63/1389996563.db2.gz SBMWKRVDIOXHMQ-HXUWFJFHSA-N 2 0 329.488 3.391 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001340138379 1390234481 /nfs/dbraw/zinc/23/44/81/1390234481.db2.gz GJQFNIWEHJQRND-YDHLFZDLSA-N 2 0 338.521 3.077 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCCCC1CC[NH2+]CC1 ZINC001340166722 1390240653 /nfs/dbraw/zinc/24/06/53/1390240653.db2.gz CPCVFWBDNAPQCR-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001340216518 1390251887 /nfs/dbraw/zinc/25/18/87/1390251887.db2.gz AAAMIWUQVQKTAU-UTKZUKDTSA-N 2 0 345.531 3.339 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](n2cncn2)C1 ZINC001334425991 1390536455 /nfs/dbraw/zinc/53/64/55/1390536455.db2.gz RXLPGIJQBZIIIH-KOTICYHOSA-N 2 0 331.508 3.004 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC001342348122 1390603785 /nfs/dbraw/zinc/60/37/85/1390603785.db2.gz MEDUZYQZFPIHTI-KRWDZBQOSA-N 2 0 347.503 3.126 20 0 EGADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001342374941 1390606542 /nfs/dbraw/zinc/60/65/42/1390606542.db2.gz RNSVOLGEQNOMCE-IBGZPJMESA-N 2 0 345.531 3.168 20 0 EGADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001343153888 1390695799 /nfs/dbraw/zinc/69/57/99/1390695799.db2.gz LFMLTMFCRJTEJU-KRWDZBQOSA-N 2 0 331.504 3.458 20 0 EGADRP O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001343532583 1390720810 /nfs/dbraw/zinc/72/08/10/1390720810.db2.gz IZKPTIIAQLYXSC-HOTGVXAUSA-N 2 0 332.444 3.049 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC001349314119 1391320282 /nfs/dbraw/zinc/32/02/82/1391320282.db2.gz NMNNYOXOTWUORP-UHFFFAOYSA-N 2 0 336.329 3.060 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)c1 ZINC001349366676 1391323952 /nfs/dbraw/zinc/32/39/52/1391323952.db2.gz DESFYWUXPWMAAI-SUMDDJOVSA-N 2 0 329.488 3.116 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001349894781 1391382070 /nfs/dbraw/zinc/38/20/70/1391382070.db2.gz TYTONXPZOFIZFW-MOPGFXCFSA-N 2 0 327.472 3.142 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC001353157165 1391946858 /nfs/dbraw/zinc/94/68/58/1391946858.db2.gz AFPHGQAYYVVGHP-NRFANRHFSA-N 2 0 349.478 3.498 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC001479908670 1392476286 /nfs/dbraw/zinc/47/62/86/1392476286.db2.gz QFTNKOKRIPVEJZ-KUMUZEIWSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001479980621 1392514467 /nfs/dbraw/zinc/51/44/67/1392514467.db2.gz IRYNHDCGROFYRF-ZWKOTPCHSA-N 2 0 349.563 3.124 20 0 EGADRP CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]2CCCCC2)cc1 ZINC001698862249 1406573269 /nfs/dbraw/zinc/57/32/69/1406573269.db2.gz XEYRMQITJXKUJT-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001480268094 1392651776 /nfs/dbraw/zinc/65/17/76/1392651776.db2.gz VTOFJWFXESVYFL-WOJBJXKFSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001480349008 1392699051 /nfs/dbraw/zinc/69/90/51/1392699051.db2.gz BWIHZIAVKRGAKY-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001480538242 1392784274 /nfs/dbraw/zinc/78/42/74/1392784274.db2.gz WCZMEDZVHMHDLJ-AEFFLSMTSA-N 2 0 333.520 3.210 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C/Cl)C2)cc1 ZINC001480706034 1392868773 /nfs/dbraw/zinc/86/87/73/1392868773.db2.gz YGGDHKUAVMDTRP-IVEIAJHPSA-N 2 0 349.906 3.131 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)C2)c1 ZINC001480710247 1392872791 /nfs/dbraw/zinc/87/27/91/1392872791.db2.gz PLBGAUYSQLFPCU-ZWYKBDPPSA-N 2 0 349.906 3.131 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCC2)C1)[NH+](C)C ZINC001480738869 1392904631 /nfs/dbraw/zinc/90/46/31/1392904631.db2.gz ISBPUFLLFGXBHT-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001480794062 1392937656 /nfs/dbraw/zinc/93/76/56/1392937656.db2.gz VGQIFEQYXYRDFR-XLIONFOSSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001480798727 1392940723 /nfs/dbraw/zinc/94/07/23/1392940723.db2.gz KHZRZRDAPVTXQH-OALUTQOASA-N 2 0 345.531 3.272 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cc1cccc(F)c1 ZINC001481005011 1393083242 /nfs/dbraw/zinc/08/32/42/1393083242.db2.gz MUPKQNXULUUBME-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001481171655 1393141291 /nfs/dbraw/zinc/14/12/91/1393141291.db2.gz KACGUMIZKVSYDF-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001481319890 1393163106 /nfs/dbraw/zinc/16/31/06/1393163106.db2.gz QADSRHHQCLUXDJ-LJQANCHMSA-N 2 0 349.494 3.201 20 0 EGADRP CC1CC(C[NH2+]C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C2CCCCC2)C1 ZINC001698883138 1406614300 /nfs/dbraw/zinc/61/43/00/1406614300.db2.gz QRAPMQBBERBMAT-FAFZWHIHSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001481371084 1394212134 /nfs/dbraw/zinc/21/21/34/1394212134.db2.gz AHYOHVBBSZTTJF-IBGZPJMESA-N 2 0 331.504 3.108 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001481386495 1394225277 /nfs/dbraw/zinc/22/52/77/1394225277.db2.gz SFTGOGAJLJPKDA-YSIASYRMSA-N 2 0 343.515 3.155 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](CCC)C1 ZINC001481402621 1394251740 /nfs/dbraw/zinc/25/17/40/1394251740.db2.gz AOYNRVGTVDWAGM-IBGZPJMESA-N 2 0 337.552 3.364 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001490666937 1394290651 /nfs/dbraw/zinc/29/06/51/1394290651.db2.gz BXMNSMCHCNJYNO-VQIMIIECSA-N 2 0 343.515 3.025 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1 ZINC001698951240 1406691753 /nfs/dbraw/zinc/69/17/53/1406691753.db2.gz DZKXYACSNJIXTP-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001491120639 1394439157 /nfs/dbraw/zinc/43/91/57/1394439157.db2.gz PIPFKMJPAZMXPN-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001491270878 1394499021 /nfs/dbraw/zinc/49/90/21/1394499021.db2.gz JDBIJLDWPJZKIO-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)C[NH2+]C[C@]1(NC(=O)CCC[NH+]2CCCC2)CCCC[C@@H]1C ZINC001481965280 1394627221 /nfs/dbraw/zinc/62/72/21/1394627221.db2.gz WKLNTJVAXFSJCA-AZUAARDMSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001482025785 1394683821 /nfs/dbraw/zinc/68/38/21/1394683821.db2.gz BSQXZUNLKUOBGX-BZSNNMDCSA-N 2 0 325.541 3.026 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CCCC1 ZINC001482234113 1394829354 /nfs/dbraw/zinc/82/93/54/1394829354.db2.gz PPDYHJXJGOEHDT-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001482238047 1394833918 /nfs/dbraw/zinc/83/39/18/1394833918.db2.gz FLGNRRWVICLQDA-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP C[C@H](C[NH2+]Cc1cccc2ccccc21)N(C)C(=O)CCC[NH+](C)C ZINC001482322528 1394893683 /nfs/dbraw/zinc/89/36/83/1394893683.db2.gz GATQMWZNUVVRGP-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001482330673 1394900381 /nfs/dbraw/zinc/90/03/81/1394900381.db2.gz LDHIWNFSAHRZQS-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001482483066 1395037259 /nfs/dbraw/zinc/03/72/59/1395037259.db2.gz OHNLWMIETAOSSK-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001482564727 1395091057 /nfs/dbraw/zinc/09/10/57/1395091057.db2.gz BERVHGBWCKGXAI-UXHICEINSA-N 2 0 347.547 3.120 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CCCC(C)(C)C)C1 ZINC001698993626 1406787297 /nfs/dbraw/zinc/78/72/97/1406787297.db2.gz MOAKCWNLTDXVOD-GOSISDBHSA-N 2 0 339.568 3.325 20 0 EGADRP CC(C)[NH2+][C@@H](CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001485433591 1395901120 /nfs/dbraw/zinc/90/11/20/1395901120.db2.gz BHZSLEBGYOTAMT-SFHVURJKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001485509043 1395988686 /nfs/dbraw/zinc/98/86/86/1395988686.db2.gz KWDHTFIZLVMJPI-UZLBHIALSA-N 2 0 343.515 3.059 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001485766739 1396143497 /nfs/dbraw/zinc/14/34/97/1396143497.db2.gz PYXWGBGGISBISS-GOSISDBHSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001485930698 1396170202 /nfs/dbraw/zinc/17/02/02/1396170202.db2.gz WNINPUIBMJAZRR-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC001503645556 1396261372 /nfs/dbraw/zinc/26/13/72/1396261372.db2.gz FDXHLKLRPLWMGR-LSDHHAIUSA-N 2 0 339.911 3.226 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001492873760 1396327647 /nfs/dbraw/zinc/32/76/47/1396327647.db2.gz SPDUMFAPTHYACZ-IBGZPJMESA-N 2 0 349.494 3.201 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](CC)c1ccccc1 ZINC001493280699 1396338966 /nfs/dbraw/zinc/33/89/66/1396338966.db2.gz OEDQLNRPTFDQDM-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)(C)CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494558239 1396468404 /nfs/dbraw/zinc/46/84/04/1396468404.db2.gz BOCAMYQCJWJTTK-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC001496319005 1396646685 /nfs/dbraw/zinc/64/66/85/1396646685.db2.gz WOOGJDKIYLMWNM-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498454720 1397000470 /nfs/dbraw/zinc/00/04/70/1397000470.db2.gz DRNQLOUPWGMEMW-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690780802 1404729081 /nfs/dbraw/zinc/72/90/81/1404729081.db2.gz LYVPMCWZCRHTFJ-MSOLQXFVSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC1CCC(C)(C)CC1 ZINC001691025816 1404937370 /nfs/dbraw/zinc/93/73/70/1404937370.db2.gz HNMXKQZOCHWNJG-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)CC1CCCCC1 ZINC001691029380 1404939546 /nfs/dbraw/zinc/93/95/46/1404939546.db2.gz IUSZITRAGYCCQH-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(C)ccc1C ZINC001691188719 1405126443 /nfs/dbraw/zinc/12/64/43/1405126443.db2.gz FXRLBVZXCKJGPP-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](CCC2CCCC2)C2CC2)CC1 ZINC001691232987 1405173067 /nfs/dbraw/zinc/17/30/67/1405173067.db2.gz SOHHOHBOMKRUEO-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001691506605 1405310639 /nfs/dbraw/zinc/31/06/39/1405310639.db2.gz SZZLVYLMXZBQEM-KZNAEPCWSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898449 1405620827 /nfs/dbraw/zinc/62/08/27/1405620827.db2.gz PRWISWOPFXSYDP-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698584145 1406198878 /nfs/dbraw/zinc/19/88/78/1406198878.db2.gz LHSCCWVKDYUDCX-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001698586028 1406203139 /nfs/dbraw/zinc/20/31/39/1406203139.db2.gz OMNHSBXOPDYZPF-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1c(C)cccc1C ZINC001732222801 1428471680 /nfs/dbraw/zinc/47/16/80/1428471680.db2.gz OKYHNYZMMXYLFF-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001732313203 1428525300 /nfs/dbraw/zinc/52/53/00/1428525300.db2.gz RNQVYPHGTJGMMP-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001732534333 1428655143 /nfs/dbraw/zinc/65/51/43/1428655143.db2.gz XCOGQZTXNLLJKW-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001699130521 1412524925 /nfs/dbraw/zinc/52/49/25/1412524925.db2.gz CJQNHQVKSRQOCE-DNVCBOLYSA-N 2 0 349.494 3.103 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)CC[NH+]1CCCCC1 ZINC001699220295 1412584492 /nfs/dbraw/zinc/58/44/92/1412584492.db2.gz POJIVUGVJOXGRZ-KRWDZBQOSA-N 2 0 349.494 3.201 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467823 1412839336 /nfs/dbraw/zinc/83/93/36/1412839336.db2.gz OGUUYQDTGUIFST-MOPGFXCFSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699471748 1412853903 /nfs/dbraw/zinc/85/39/03/1412853903.db2.gz LQGXWRNWAOBRNP-ROUUACIJSA-N 2 0 339.568 3.226 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699471747 1412853938 /nfs/dbraw/zinc/85/39/38/1412853938.db2.gz LQGXWRNWAOBRNP-QZTJIDSGSA-N 2 0 339.568 3.226 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001699738033 1413148750 /nfs/dbraw/zinc/14/87/50/1413148750.db2.gz JNKUEBYWKIQWFZ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001699788779 1413194301 /nfs/dbraw/zinc/19/43/01/1413194301.db2.gz GWRPYZQJKHDHRJ-FQEVSTJZSA-N 2 0 339.483 3.091 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@](C)(C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001699848004 1413277307 /nfs/dbraw/zinc/27/73/07/1413277307.db2.gz NNEDRHTYTZZUCX-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001699854273 1413284618 /nfs/dbraw/zinc/28/46/18/1413284618.db2.gz PMPJKVFZMIWBFI-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001699862274 1413297016 /nfs/dbraw/zinc/29/70/16/1413297016.db2.gz QZGVBEXTBCHOEM-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001699975494 1413416573 /nfs/dbraw/zinc/41/65/73/1413416573.db2.gz DHIGHYOUOVGGBV-REPLKXPHSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001700098751 1413515577 /nfs/dbraw/zinc/51/55/77/1413515577.db2.gz JHXGYULMUNPDAR-KRWDZBQOSA-N 2 0 331.504 3.094 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001700125236 1413540983 /nfs/dbraw/zinc/54/09/83/1413540983.db2.gz OWGOKMGQXBYXLV-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001700203516 1413648812 /nfs/dbraw/zinc/64/88/12/1413648812.db2.gz RVXLQWPQOMAEIY-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001700481228 1414117813 /nfs/dbraw/zinc/11/78/13/1414117813.db2.gz PHNHIYFXXOLPAV-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700482241 1414121433 /nfs/dbraw/zinc/12/14/33/1414121433.db2.gz XRRPWMXFGBIQOX-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001700780831 1414463304 /nfs/dbraw/zinc/46/33/04/1414463304.db2.gz PIDPKUPXGHVGMA-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700841274 1414491186 /nfs/dbraw/zinc/49/11/86/1414491186.db2.gz LVQZHBSAYIHQAM-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001700998371 1414648663 /nfs/dbraw/zinc/64/86/63/1414648663.db2.gz NWXFXONNUAPIEC-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001732996640 1429120123 /nfs/dbraw/zinc/12/01/23/1429120123.db2.gz PGUSBJWWLOSISK-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1c(C(=O)N[C@H](C)C[N@H+](C)CC2CCCCC2)ccc2c[nH+]cn21 ZINC001733044628 1429177198 /nfs/dbraw/zinc/17/71/98/1429177198.db2.gz ZRZKQGDHNLZYSG-OAHLLOKOSA-N 2 0 342.487 3.273 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCCCC1 ZINC001707450149 1417354293 /nfs/dbraw/zinc/35/42/93/1417354293.db2.gz ZMJABCKWNHVWFX-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CC23CC[NH+](CCC2CCCC2)CC3)CCC1 ZINC001713094675 1417643501 /nfs/dbraw/zinc/64/35/01/1417643501.db2.gz ITWJQKCELJYZQR-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001713102349 1417657146 /nfs/dbraw/zinc/65/71/46/1417657146.db2.gz VTZWXGRBWQEAJB-UHFFFAOYSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cc(C)cc(C)c1 ZINC001713256303 1417857250 /nfs/dbraw/zinc/85/72/50/1417857250.db2.gz DRNUFDBOFZOSOO-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001713291635 1417919593 /nfs/dbraw/zinc/91/95/93/1417919593.db2.gz SFYWDRGGFIGCFO-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001713360956 1417975801 /nfs/dbraw/zinc/97/58/01/1417975801.db2.gz SBLZRZHMBQNUSW-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001713399964 1418020365 /nfs/dbraw/zinc/02/03/65/1418020365.db2.gz WVGOFPDNJISYGE-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001713399691 1418021170 /nfs/dbraw/zinc/02/11/70/1418021170.db2.gz RGPQQDNQIYHGFZ-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cccc(C)c1C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001713469169 1418135475 /nfs/dbraw/zinc/13/54/75/1418135475.db2.gz BLYIYZBREUMBKO-FQEVSTJZSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001713625530 1418398821 /nfs/dbraw/zinc/39/88/21/1418398821.db2.gz AFEAAKWCMRUNNL-WMZOPIPTSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)Cc2ccccc2C)CC1 ZINC001713766452 1418580424 /nfs/dbraw/zinc/58/04/24/1418580424.db2.gz AENDRYUDABHCRU-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001713825921 1418625858 /nfs/dbraw/zinc/62/58/58/1418625858.db2.gz JONLNDFZGJVEBI-INIZCTEOSA-N 2 0 349.544 3.092 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001713826094 1418626052 /nfs/dbraw/zinc/62/60/52/1418626052.db2.gz ULAWJPTYSOPQQG-RJCMGOLDSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001713825804 1418626218 /nfs/dbraw/zinc/62/62/18/1418626218.db2.gz BUFLMWGJQGCJTK-MRXNPFEDSA-N 2 0 342.487 3.273 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001714316887 1419095128 /nfs/dbraw/zinc/09/51/28/1419095128.db2.gz HCACIDFUFOLHOH-MXVIHJGJSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCC2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001714331135 1419111287 /nfs/dbraw/zinc/11/12/87/1419111287.db2.gz NYBLXTFDMJUEBF-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001714366736 1419126215 /nfs/dbraw/zinc/12/62/15/1419126215.db2.gz RXFVWEVMVGGXDT-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714434162 1419166915 /nfs/dbraw/zinc/16/69/15/1419166915.db2.gz MAVCNXXDROLEPH-SJLPKXTDSA-N 2 0 345.531 3.130 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001714448320 1419180770 /nfs/dbraw/zinc/18/07/70/1419180770.db2.gz PFJSIWOGMUGPBB-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001714451731 1419183712 /nfs/dbraw/zinc/18/37/12/1419183712.db2.gz CWJOLZJCQHNCPX-SFHVURJKSA-N 2 0 345.531 3.021 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH+](C)Cc2ccc(C)cc2)CC1 ZINC001714911366 1419658118 /nfs/dbraw/zinc/65/81/18/1419658118.db2.gz BEXHYRRORBSLQP-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001714992248 1419724855 /nfs/dbraw/zinc/72/48/55/1419724855.db2.gz GKJYLUZGXTXGOV-IHPCNDPISA-N 2 0 349.563 3.074 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001715057618 1419797928 /nfs/dbraw/zinc/79/79/28/1419797928.db2.gz YIRWAOLOVQGBCA-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715075641 1419810654 /nfs/dbraw/zinc/81/06/54/1419810654.db2.gz YFDPZBLFACLVBW-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1cc(C)cc(C)c1)C1CC1)[NH+](C)C ZINC001715115361 1419858863 /nfs/dbraw/zinc/85/88/63/1419858863.db2.gz RZNMSUBRBVPDKZ-CTNGQTDRSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001715355006 1420055178 /nfs/dbraw/zinc/05/51/78/1420055178.db2.gz MYOGDEDNBYGTDJ-BEFAXECRSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001715384421 1420080909 /nfs/dbraw/zinc/08/09/09/1420080909.db2.gz IJIWQSPANDUCLF-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001715394609 1420092125 /nfs/dbraw/zinc/09/21/25/1420092125.db2.gz ZMNGVNSGQJFNEK-LPHOPBHVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001715497388 1420178881 /nfs/dbraw/zinc/17/88/81/1420178881.db2.gz GJYGOAWCVDYYSL-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001715587326 1420261636 /nfs/dbraw/zinc/26/16/36/1420261636.db2.gz LSPLDKVDCCWKNZ-CRAIPNDOSA-N 2 0 349.494 3.101 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048505 1420512592 /nfs/dbraw/zinc/51/25/92/1420512592.db2.gz AWWLMCUKIIKIEK-IEBWSBKVSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CCC[NH+](C)C)c1 ZINC001716068320 1420526069 /nfs/dbraw/zinc/52/60/69/1420526069.db2.gz YTMUKIKEVOOVSL-PMACEKPBSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)cc1C ZINC001716424000 1420650872 /nfs/dbraw/zinc/65/08/72/1420650872.db2.gz QFECHBBFZWSZNO-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001716481979 1420699018 /nfs/dbraw/zinc/69/90/18/1420699018.db2.gz AQIUNGWPCSZUOS-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716485003 1420703601 /nfs/dbraw/zinc/70/36/01/1420703601.db2.gz LXYFKYGSRPKWOQ-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1c(C(=O)NC[C@]2(C)CCC[N@@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001716896749 1421024186 /nfs/dbraw/zinc/02/41/86/1421024186.db2.gz ROQYTMZSROTCMQ-FQEVSTJZSA-N 2 0 342.487 3.131 20 0 EGADRP CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001717357338 1421293307 /nfs/dbraw/zinc/29/33/07/1421293307.db2.gz JWRSXJPIPTWLJY-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001717370852 1421309844 /nfs/dbraw/zinc/30/98/44/1421309844.db2.gz JRLJOCJVVQHZOX-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001717830897 1421643020 /nfs/dbraw/zinc/64/30/20/1421643020.db2.gz WEMSKPXXBNPUJS-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001717859821 1421672117 /nfs/dbraw/zinc/67/21/17/1421672117.db2.gz FOJDHQIIDPJLFP-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(CC)cc2)[C@H]1C ZINC001717861628 1421674360 /nfs/dbraw/zinc/67/43/60/1421674360.db2.gz ZANUPWCZLHXAGK-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001733335174 1429519544 /nfs/dbraw/zinc/51/95/44/1429519544.db2.gz FWIRVQPAJFUBPG-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001722904621 1424230827 /nfs/dbraw/zinc/23/08/27/1424230827.db2.gz KALIFCLOIVQMLX-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001724179831 1424716081 /nfs/dbraw/zinc/71/60/81/1424716081.db2.gz QINUTKKECTXNHK-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCC1)[NH+]1CCCCCC1 ZINC001724797107 1425165282 /nfs/dbraw/zinc/16/52/82/1425165282.db2.gz QJFZGKKURHLFLG-GOSISDBHSA-N 2 0 343.515 3.080 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC2CCCCCC2)[C@@H](C)C1 ZINC001724944849 1425329736 /nfs/dbraw/zinc/32/97/36/1425329736.db2.gz HQEYFRJACFRUOH-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001724991467 1425394410 /nfs/dbraw/zinc/39/44/10/1425394410.db2.gz HICYURVZYXPHGP-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2F)[C@H](C)C1 ZINC001725002639 1425411971 /nfs/dbraw/zinc/41/19/71/1425411971.db2.gz LMQGBFPWRUXSTK-AEFFLSMTSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001725003484 1425413964 /nfs/dbraw/zinc/41/39/64/1425413964.db2.gz PQQZJDJWAQRCBT-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001725025300 1425443743 /nfs/dbraw/zinc/44/37/43/1425443743.db2.gz DQJJYAHWXNADIJ-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)cc1C ZINC001725612728 1426273907 /nfs/dbraw/zinc/27/39/07/1426273907.db2.gz ACCWCKFCCSASAB-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731297633 1427240307 /nfs/dbraw/zinc/24/03/07/1427240307.db2.gz UJNWKCRCYNOIRY-MJGOQNOKSA-N 2 0 337.552 3.410 20 0 EGADRP C[NH+](CCC1CC1)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001731709817 1427765787 /nfs/dbraw/zinc/76/57/87/1427765787.db2.gz FVAYWAKYGAFEHX-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001731727617 1427801959 /nfs/dbraw/zinc/80/19/59/1427801959.db2.gz RNVZWFMQQMWRCP-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1c(C(=O)NCC[N@H+](Cc2ccccc2)C2CC2)ccc2c[nH+]cn21 ZINC001731877785 1428144399 /nfs/dbraw/zinc/14/43/99/1428144399.db2.gz LQNHMHRVPRGBME-UHFFFAOYSA-N 2 0 348.450 3.037 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CCC2)CCC1 ZINC001733715708 1429934273 /nfs/dbraw/zinc/93/42/73/1429934273.db2.gz BZBGRXDKKPPXNK-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001733762487 1429979093 /nfs/dbraw/zinc/97/90/93/1429979093.db2.gz NXFFJSMPXKINBZ-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001733921891 1437735708 /nfs/dbraw/zinc/73/57/08/1437735708.db2.gz YRRXTQUAYAISDQ-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001733941822 1437758018 /nfs/dbraw/zinc/75/80/18/1437758018.db2.gz RDFHREKKGVCJLV-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001734011526 1437803023 /nfs/dbraw/zinc/80/30/23/1437803023.db2.gz SBVHLGNIBLOBRH-UHFFFAOYSA-N 2 0 337.552 3.410 20 0 EGADRP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001734199363 1437940631 /nfs/dbraw/zinc/94/06/31/1437940631.db2.gz WHPHEAZCXAVNHB-RLLQIKCJSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2F)CC1 ZINC001734270843 1437999150 /nfs/dbraw/zinc/99/91/50/1437999150.db2.gz CXPRWMFVUFAGCL-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001734357660 1438074590 /nfs/dbraw/zinc/07/45/90/1438074590.db2.gz SNBQBTHMTJUCLB-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752008418 1440132399 /nfs/dbraw/zinc/13/23/99/1440132399.db2.gz GJVXZHQWYJOKOK-MOPGFXCFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CCC1CCCC1 ZINC001752073613 1440137923 /nfs/dbraw/zinc/13/79/23/1440137923.db2.gz REJHXVWZIWUCHK-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001752301972 1440167764 /nfs/dbraw/zinc/16/77/64/1440167764.db2.gz WAOHCUKOSYZJRK-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)C1 ZINC001752308989 1440169161 /nfs/dbraw/zinc/16/91/61/1440169161.db2.gz VRXBYBFSNXSQRV-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001752309996 1440169742 /nfs/dbraw/zinc/16/97/42/1440169742.db2.gz DJXMVKSUVJZJDU-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001752440109 1440181134 /nfs/dbraw/zinc/18/11/34/1440181134.db2.gz SNWTWGRYJBJFGF-PKOBYXMFSA-N 2 0 335.536 3.115 20 0 EGADRP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001752525359 1440192839 /nfs/dbraw/zinc/19/28/39/1440192839.db2.gz MCRSURJTWQWWGW-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752732029 1440204052 /nfs/dbraw/zinc/20/40/52/1440204052.db2.gz YCWCAAYNWVASTA-GBESFXJTSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752836956 1440228258 /nfs/dbraw/zinc/22/82/58/1440228258.db2.gz QEFOGOVLOZSFBU-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001752840124 1440229870 /nfs/dbraw/zinc/22/98/70/1440229870.db2.gz GWBOWQXYHWGLJT-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001752854823 1440234581 /nfs/dbraw/zinc/23/45/81/1440234581.db2.gz WLJYMXFDJVWPIO-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001752920464 1440248365 /nfs/dbraw/zinc/24/83/65/1440248365.db2.gz BSCQJHOIXMEDSA-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752980637 1440256971 /nfs/dbraw/zinc/25/69/71/1440256971.db2.gz POTDXBSCJHGVCH-MOPGFXCFSA-N 2 0 337.552 3.170 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753008829 1440266342 /nfs/dbraw/zinc/26/63/42/1440266342.db2.gz QEZXEVYETOOOJG-CQSZACIVSA-N 2 0 330.476 3.177 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001753056278 1440281480 /nfs/dbraw/zinc/28/14/80/1440281480.db2.gz ZGOIEDHOQGQNTJ-LPHOPBHVSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCCC1 ZINC001753085301 1440295924 /nfs/dbraw/zinc/29/59/24/1440295924.db2.gz VOTTVYGPJQXLAJ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001753103599 1440305348 /nfs/dbraw/zinc/30/53/48/1440305348.db2.gz MVRBBNLFQGLUTF-GOSISDBHSA-N 2 0 337.552 3.410 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CCCCC1 ZINC001753143456 1440322905 /nfs/dbraw/zinc/32/29/05/1440322905.db2.gz SLKLFJZWSNKAML-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CN(CC[NH2+]CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753222650 1440340290 /nfs/dbraw/zinc/34/02/90/1440340290.db2.gz IVKACTOKCTVDBR-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001753334154 1440371273 /nfs/dbraw/zinc/37/12/73/1440371273.db2.gz CTWBUAAGRDGWHO-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@H+](CCC1CCCCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001753367406 1440386097 /nfs/dbraw/zinc/38/60/97/1440386097.db2.gz IPABUKBNIRCAME-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC001753411573 1440393382 /nfs/dbraw/zinc/39/33/82/1440393382.db2.gz RRLZGUFXTJVVRK-JLAWEPINSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001753438441 1440400806 /nfs/dbraw/zinc/40/08/06/1440400806.db2.gz ZJCYCHJOLMQEPX-YZPMEYCISA-N 2 0 335.536 3.138 20 0 EGADRP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001753440192 1440401577 /nfs/dbraw/zinc/40/15/77/1440401577.db2.gz UYEABWDOGGGYNR-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001753460187 1440410118 /nfs/dbraw/zinc/41/01/18/1440410118.db2.gz YFISAEISVTZNKV-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001753471495 1440414012 /nfs/dbraw/zinc/41/40/12/1440414012.db2.gz NWWKPZRMOBXODP-UXHICEINSA-N 2 0 345.531 3.106 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001753471496 1440414097 /nfs/dbraw/zinc/41/40/97/1440414097.db2.gz NWWKPZRMOBXODP-VQTJNVASSA-N 2 0 345.531 3.106 20 0 EGADRP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C)cc1C ZINC001753477954 1440415650 /nfs/dbraw/zinc/41/56/50/1440415650.db2.gz RGTMSVRSDAKIPV-PMACEKPBSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001753507304 1440424720 /nfs/dbraw/zinc/42/47/20/1440424720.db2.gz SWCIRLCHHJGFHQ-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP CC[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC001753511801 1440426206 /nfs/dbraw/zinc/42/62/06/1440426206.db2.gz MSBNCZUEMPMPQT-MOPGFXCFSA-N 2 0 343.515 3.108 20 0 EGADRP Cc1c(C(=O)N[C@@]2(C[NH2+]C(C)C)CCCC[C@@H]2C)ccc2c[nH+]cn21 ZINC001753534023 1440431860 /nfs/dbraw/zinc/43/18/60/1440431860.db2.gz OYGKOROWYKUFIS-MGPUTAFESA-N 2 0 342.487 3.319 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001753550406 1440434962 /nfs/dbraw/zinc/43/49/62/1440434962.db2.gz QBIRQAJLBXVESK-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001753584807 1440441048 /nfs/dbraw/zinc/44/10/48/1440441048.db2.gz JWNIYIJYXQQOIL-NCXUSEDFSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)=CC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001753594856 1440444229 /nfs/dbraw/zinc/44/42/29/1440444229.db2.gz MDRJKXHXPGNXGC-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001753664706 1440459802 /nfs/dbraw/zinc/45/98/02/1440459802.db2.gz ZWDNEQRBXRHPBZ-SFHVURJKSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001753671236 1440462221 /nfs/dbraw/zinc/46/22/21/1440462221.db2.gz OSSNQBDBIFIFOR-CQQBRXBZSA-N 2 0 349.563 3.482 20 0 EGADRP Cc1c(C(=O)N(C)[C@@H](C)C[NH2+]CC2CCCCC2)ccc2c[nH+]cn21 ZINC001753700765 1440468374 /nfs/dbraw/zinc/46/83/74/1440468374.db2.gz KZCVQXFPYSHVME-HNNXBMFYSA-N 2 0 342.487 3.273 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753708833 1440470017 /nfs/dbraw/zinc/47/00/17/1440470017.db2.gz MNOJQAKURJQJSY-LNLFQRSKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753708475 1440470033 /nfs/dbraw/zinc/47/00/33/1440470033.db2.gz GXWWRXKMODQBRS-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001753717843 1440472353 /nfs/dbraw/zinc/47/23/53/1440472353.db2.gz XMLJCXYYGGXPBS-GOSISDBHSA-N 2 0 345.531 3.052 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001753736381 1440477828 /nfs/dbraw/zinc/47/78/28/1440477828.db2.gz LJFZTEIGQKYVAA-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001753759302 1440483713 /nfs/dbraw/zinc/48/37/13/1440483713.db2.gz LBSUUTNGSZPUJN-QUCCMNQESA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(CC[N@H+](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001753823395 1440497272 /nfs/dbraw/zinc/49/72/72/1440497272.db2.gz HJDKQKQVPUEKOH-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001753829993 1440499462 /nfs/dbraw/zinc/49/94/62/1440499462.db2.gz ROVLOECTZYPBAV-RTBURBONSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001753829992 1440499510 /nfs/dbraw/zinc/49/95/10/1440499510.db2.gz ROVLOECTZYPBAV-RBUKOAKNSA-N 2 0 335.536 3.090 20 0 EGADRP Cc1c(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C)ccc2c[nH+]cn21 ZINC001753835745 1440501006 /nfs/dbraw/zinc/50/10/06/1440501006.db2.gz VAQYHRUFLYSRTB-SFHVURJKSA-N 2 0 344.503 3.423 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1cccc(C)c1 ZINC001753854195 1440508288 /nfs/dbraw/zinc/50/82/88/1440508288.db2.gz AJRUQJWPHKNJKY-QUCCMNQESA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCC(C)CC1 ZINC001753854558 1440508394 /nfs/dbraw/zinc/50/83/94/1440508394.db2.gz ORJWHIYSORLRSD-ACBHZAAOSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1)[NH+]1CCCCCC1 ZINC001753864624 1440513477 /nfs/dbraw/zinc/51/34/77/1440513477.db2.gz QZKMBPWFUMMXQQ-OALUTQOASA-N 2 0 345.531 3.402 20 0 EGADRP CN(CC[N@H+](C)CCC1=CCCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001753877549 1440519859 /nfs/dbraw/zinc/51/98/59/1440519859.db2.gz VYYQTQVKMNXQNI-UXHICEINSA-N 2 0 349.563 3.388 20 0 EGADRP CN(CC[N@H+](C)CCC1=CCCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001753877548 1440519934 /nfs/dbraw/zinc/51/99/34/1440519934.db2.gz VYYQTQVKMNXQNI-PMACEKPBSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753901731 1440523537 /nfs/dbraw/zinc/52/35/37/1440523537.db2.gz LNRIQIOXKFHXLT-VQTJNVASSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1c(C(=O)N[C@H](C)CC[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001753977918 1440527819 /nfs/dbraw/zinc/52/78/19/1440527819.db2.gz FDRAEGSGPCYWBS-OAHLLOKOSA-N 2 0 342.487 3.321 20 0 EGADRP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754006770 1440530847 /nfs/dbraw/zinc/53/08/47/1440530847.db2.gz BGKVEKOWAAWSOA-ICSRJNTNSA-N 2 0 345.531 3.242 20 0 EGADRP C[C@@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754007683 1440530972 /nfs/dbraw/zinc/53/09/72/1440530972.db2.gz RDUUTQROAMIQOT-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CCN(CC[NH2+]CCC1CCCCC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001754083862 1440539724 /nfs/dbraw/zinc/53/97/24/1440539724.db2.gz CPIBSTCQUGLWKF-HDICACEKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001754139858 1440544313 /nfs/dbraw/zinc/54/43/13/1440544313.db2.gz JHUOIXUDYRQOIK-DXGMNQLZSA-N 2 0 349.563 3.195 20 0 EGADRP O=C(NC/C=C/C[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754180361 1440548135 /nfs/dbraw/zinc/54/81/35/1440548135.db2.gz AGZJTMMYKYCOKR-UHDDOPSISA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC001754266706 1440560678 /nfs/dbraw/zinc/56/06/78/1440560678.db2.gz DKFLXAIDHCAVOM-FFZOFVMBSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)CCC[NH+]1CCCC1 ZINC001754296651 1440566434 /nfs/dbraw/zinc/56/64/34/1440566434.db2.gz UTKYVQPGBFNVDQ-PXNSSMCTSA-N 2 0 343.515 3.034 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccc(C2CCCC2)cc1)NC(=O)CC[NH+](C)C ZINC001754322358 1440578804 /nfs/dbraw/zinc/57/88/04/1440578804.db2.gz DMJCVFNXNKMGFS-QGZVFWFLSA-N 2 0 345.531 3.232 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001754382279 1440593472 /nfs/dbraw/zinc/59/34/72/1440593472.db2.gz PQXCXUAGOLVOFQ-FQEVSTJZSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1c(C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CC2)ccc2c[nH+]cn21 ZINC001754446000 1440600059 /nfs/dbraw/zinc/60/00/59/1440600059.db2.gz YDJKMRPPXXFEAY-SFHVURJKSA-N 2 0 342.487 3.177 20 0 EGADRP CC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1[NH2+]CC=C(C)C ZINC001754463244 1440603839 /nfs/dbraw/zinc/60/38/39/1440603839.db2.gz AUOOIMKJVNLXCJ-RBUKOAKNSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001754547186 1440628191 /nfs/dbraw/zinc/62/81/91/1440628191.db2.gz SKRAXSBEZKNXGN-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C[C@H]1C ZINC001754600923 1440642399 /nfs/dbraw/zinc/64/23/99/1440642399.db2.gz JGDAQQAFBYIGDV-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754609529 1440643646 /nfs/dbraw/zinc/64/36/46/1440643646.db2.gz FHUUKFPJRUGWEL-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754617217 1440644730 /nfs/dbraw/zinc/64/47/30/1440644730.db2.gz ITTCNNONGFVQJH-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001754626415 1440646574 /nfs/dbraw/zinc/64/65/74/1440646574.db2.gz BMVAKMSQMMXADV-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001754684367 1440664203 /nfs/dbraw/zinc/66/42/03/1440664203.db2.gz YQWSXDRMUOMINM-FQEVSTJZSA-N 2 0 331.504 3.133 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001754732421 1440680285 /nfs/dbraw/zinc/68/02/85/1440680285.db2.gz UJBZCFHLKHNQDS-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CCc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001754786052 1440687804 /nfs/dbraw/zinc/68/78/04/1440687804.db2.gz UDEUICXMHURATL-PMACEKPBSA-N 2 0 343.515 3.056 20 0 EGADRP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754796075 1440689389 /nfs/dbraw/zinc/68/93/89/1440689389.db2.gz XDKVAYPMXIFYFP-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754796077 1440689417 /nfs/dbraw/zinc/68/94/17/1440689417.db2.gz XDKVAYPMXIFYFP-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754798361 1440690042 /nfs/dbraw/zinc/69/00/42/1440690042.db2.gz YJYUPCDWAXJNQP-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001754807757 1440691547 /nfs/dbraw/zinc/69/15/47/1440691547.db2.gz SVTGVIUXIVNVKO-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001754833375 1440696158 /nfs/dbraw/zinc/69/61/58/1440696158.db2.gz VYVQLMXAMHGSMA-REPLKXPHSA-N 2 0 337.552 3.122 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001754835841 1440696787 /nfs/dbraw/zinc/69/67/87/1440696787.db2.gz PNEXOLNGVVOJFZ-GUDVDZBRSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2C1 ZINC001754846356 1440699303 /nfs/dbraw/zinc/69/93/03/1440699303.db2.gz DQNCZPMFYXHEAR-BGYRXZFFSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2C1 ZINC001754846426 1440699376 /nfs/dbraw/zinc/69/93/76/1440699376.db2.gz GOIRZXMHQUYGFM-BGYRXZFFSA-N 2 0 349.563 3.079 20 0 EGADRP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001754952316 1440715205 /nfs/dbraw/zinc/71/52/05/1440715205.db2.gz YLWQRMDCRBJPKL-SHOKJUJBSA-N 2 0 349.563 3.480 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)C1 ZINC001754955768 1440716408 /nfs/dbraw/zinc/71/64/08/1440716408.db2.gz QZLVVAKZOSJXLD-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001754982641 1440721707 /nfs/dbraw/zinc/72/17/07/1440721707.db2.gz LURNJLQUUMAHOZ-MSOLQXFVSA-N 2 0 335.536 3.212 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001755031089 1440731273 /nfs/dbraw/zinc/73/12/73/1440731273.db2.gz MQNVQYQWFLLCIT-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001755031323 1440731551 /nfs/dbraw/zinc/73/15/51/1440731551.db2.gz OVSMQQXZTJKWBV-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001755041859 1440737983 /nfs/dbraw/zinc/73/79/83/1440737983.db2.gz YYTDYLDBDOKNIT-UHFFFAOYSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755042373 1440738211 /nfs/dbraw/zinc/73/82/11/1440738211.db2.gz ZOKOKXSSVXRPOR-MRXNPFEDSA-N 2 0 349.494 3.009 20 0 EGADRP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755069075 1440745958 /nfs/dbraw/zinc/74/59/58/1440745958.db2.gz LEMWLDBZDCLMLV-ACBHZAAOSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](CC2CC2)CC1(C)C)C1CCCCC1 ZINC001755142232 1440761040 /nfs/dbraw/zinc/76/10/40/1440761040.db2.gz UYEJKDUBHDFCAK-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC2CCC2)CC1(C)C ZINC001755144272 1440762568 /nfs/dbraw/zinc/76/25/68/1440762568.db2.gz YZCKKMRTRXDMKR-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001755168080 1440767726 /nfs/dbraw/zinc/76/77/26/1440767726.db2.gz WWTBCYLPSKNJTE-AQIYZVDXSA-N 2 0 349.563 3.432 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001755355353 1440829308 /nfs/dbraw/zinc/82/93/08/1440829308.db2.gz BUUFTCGQVYHXRJ-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001755367538 1440835296 /nfs/dbraw/zinc/83/52/96/1440835296.db2.gz HXYZNBAPJAXGFO-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001755367535 1440835420 /nfs/dbraw/zinc/83/54/20/1440835420.db2.gz HXYZNBAPJAXGFO-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755507591 1440863105 /nfs/dbraw/zinc/86/31/05/1440863105.db2.gz SLXLRBAJFCXGGF-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCC(C)(C)C)CC1 ZINC001755529626 1440866721 /nfs/dbraw/zinc/86/67/21/1440866721.db2.gz BMMQCJXMVVUMLE-SFHVURJKSA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001755529750 1440866770 /nfs/dbraw/zinc/86/67/70/1440866770.db2.gz HFSBZNULTNRGAO-LJQANCHMSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]C/C=C/Cl ZINC001755551276 1440872062 /nfs/dbraw/zinc/87/20/62/1440872062.db2.gz UTFWMRHYKXTILD-CFMJQPPZSA-N 2 0 343.943 3.122 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001755610894 1440887074 /nfs/dbraw/zinc/88/70/74/1440887074.db2.gz KMFBVXROXPJKKI-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001755690414 1440896645 /nfs/dbraw/zinc/89/66/45/1440896645.db2.gz OBMSEPRKRGXUDQ-RTBURBONSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001755722252 1440907937 /nfs/dbraw/zinc/90/79/37/1440907937.db2.gz HBNXOSPBRVKWFL-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)CCCCC1 ZINC001755739094 1440911422 /nfs/dbraw/zinc/91/14/22/1440911422.db2.gz GTWLHCGBMKCWED-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CC[N@@H+]1C ZINC001755758583 1440914520 /nfs/dbraw/zinc/91/45/20/1440914520.db2.gz AUEUDPJBGMBASU-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755764089 1440915727 /nfs/dbraw/zinc/91/57/27/1440915727.db2.gz YZGPFRGGUUJOLB-QAPCUYQASA-N 2 0 349.494 3.055 20 0 EGADRP CC1CC(C[NH2+]C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C)C1 ZINC001755826289 1440927418 /nfs/dbraw/zinc/92/74/18/1440927418.db2.gz NWOHEATWVUHECY-ABHNRTSZSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001755836065 1440930255 /nfs/dbraw/zinc/93/02/55/1440930255.db2.gz MFOGHCQVWZXYRX-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001755845926 1440933275 /nfs/dbraw/zinc/93/32/75/1440933275.db2.gz FAUUUGVRFZFETK-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001755850543 1440934868 /nfs/dbraw/zinc/93/48/68/1440934868.db2.gz LPMBCLXFXMREBS-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc2[nH]ccc2c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)[nH+]1 ZINC001164725884 720393561 /nfs/dbraw/zinc/39/35/61/720393561.db2.gz OBJSNXUNYOXVRL-RBUKOAKNSA-N 2 0 333.439 3.120 20 0 EGADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000368294725 168339540 /nfs/dbraw/zinc/33/95/40/168339540.db2.gz VHIRHAFIMCNRCE-MJGOQNOKSA-N 2 0 345.531 3.253 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCC2(CCCCC2)O1 ZINC000342629614 282215387 /nfs/dbraw/zinc/21/53/87/282215387.db2.gz HWGPFMDMFQCQCT-MKXGPGLRSA-N 2 0 336.520 3.052 20 0 EGADRP C[C@@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCCC1 ZINC000303519089 295787023 /nfs/dbraw/zinc/78/70/23/295787023.db2.gz DUDQYPKCJANNIF-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCOc3ccccc32)ccn1 ZINC000179509223 233119497 /nfs/dbraw/zinc/11/94/97/233119497.db2.gz FEOPDMWSDOJISG-SFHVURJKSA-N 2 0 341.455 3.026 20 0 EGADRP Cc1ncccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000103343329 219292561 /nfs/dbraw/zinc/29/25/61/219292561.db2.gz WKLPCOURQQIXOE-IAGOWNOFSA-N 2 0 339.483 3.289 20 0 EGADRP COC[C@]1(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000414961522 309111620 /nfs/dbraw/zinc/11/16/20/309111620.db2.gz VKVMOSOXALEHFB-XJKSGUPXSA-N 2 0 330.394 3.167 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)[NH+](C)C)cc1 ZINC000184227315 235340741 /nfs/dbraw/zinc/34/07/41/235340741.db2.gz SDQHFTODRASTMN-GOSISDBHSA-N 2 0 331.504 3.013 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000184242012 235344696 /nfs/dbraw/zinc/34/46/96/235344696.db2.gz FEJVLALRGLGQCE-IEBWSBKVSA-N 2 0 343.515 3.065 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353585945 283133683 /nfs/dbraw/zinc/13/36/83/283133683.db2.gz ATNVXTGALNMVRA-COPLXBQBSA-N 2 0 328.500 3.005 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125869 236125608 /nfs/dbraw/zinc/12/56/08/236125608.db2.gz AOWNSMHPPNTMJI-QGZVFWFLSA-N 2 0 343.515 3.197 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCS2 ZINC000187167921 236134703 /nfs/dbraw/zinc/13/47/03/236134703.db2.gz SDBQVYIQXOMVCM-WMZOPIPTSA-N 2 0 333.545 3.066 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000343566592 283336883 /nfs/dbraw/zinc/33/68/83/283336883.db2.gz IKIZGHBMIILHRI-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000415015233 309114366 /nfs/dbraw/zinc/11/43/66/309114366.db2.gz NSQUFETUGNXALE-NSHDSACASA-N 2 0 342.274 3.181 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193912712 240359357 /nfs/dbraw/zinc/35/93/57/240359357.db2.gz KFWSMPIYPZLZRY-UXHICEINSA-N 2 0 348.556 3.277 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000262608981 245062971 /nfs/dbraw/zinc/06/29/71/245062971.db2.gz BKPBGFBVMOOKPK-BJLQDIEVSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@](C)([NH3+])c1ccccc1)c1ccccc1 ZINC000262855370 245215687 /nfs/dbraw/zinc/21/56/87/245215687.db2.gz KOQHYPSYZXTMBO-IIBYNOLFSA-N 2 0 339.483 3.106 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000375730458 168815769 /nfs/dbraw/zinc/81/57/69/168815769.db2.gz KNJOSJRATHTJAL-UHFFFAOYSA-N 2 0 328.435 3.180 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000264928029 247053825 /nfs/dbraw/zinc/05/38/25/247053825.db2.gz ROHGIXSEGIIAKX-FQEVSTJZSA-N 2 0 345.531 3.137 20 0 EGADRP C[C@@H](c1ccccn1)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091702878 296240749 /nfs/dbraw/zinc/24/07/49/296240749.db2.gz TTZLDAFHGWADDU-ROUUACIJSA-N 2 0 342.487 3.179 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000266415129 248289489 /nfs/dbraw/zinc/28/94/89/248289489.db2.gz OMIBBPLMLQNEKF-LJQANCHMSA-N 2 0 345.531 3.332 20 0 EGADRP COc1cccc(NC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000378126972 169073350 /nfs/dbraw/zinc/07/33/50/169073350.db2.gz OIUVIHUIBOJHCQ-LJQANCHMSA-N 2 0 331.504 3.446 20 0 EGADRP COCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066940 218114456 /nfs/dbraw/zinc/11/44/56/218114456.db2.gz RXBRFVGTLHSCES-NQIIRXRSSA-N 2 0 344.499 3.161 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000092381139 218138525 /nfs/dbraw/zinc/13/85/25/218138525.db2.gz DDRFTYJFNQQWOT-UHFFFAOYSA-N 2 0 330.451 3.380 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093734887 218245502 /nfs/dbraw/zinc/24/55/02/218245502.db2.gz OLDSHRVPOFVPKP-UHFFFAOYSA-N 2 0 332.488 3.162 20 0 EGADRP Cc1nc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cs1 ZINC000268740414 252190227 /nfs/dbraw/zinc/19/02/27/252190227.db2.gz CUUIVYWEHITAHK-AWEZNQCLSA-N 2 0 333.501 3.285 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000268764267 252213225 /nfs/dbraw/zinc/21/32/25/252213225.db2.gz IRTLXFISOZAAKM-LEWJYISDSA-N 2 0 345.506 3.049 20 0 EGADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000268821207 252270997 /nfs/dbraw/zinc/27/09/97/252270997.db2.gz LWOHIWUCFICXBR-FCEWJHQRSA-N 2 0 332.488 3.162 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268828531 252279065 /nfs/dbraw/zinc/27/90/65/252279065.db2.gz JDLJIRIRQSBECV-KRWDZBQOSA-N 2 0 342.487 3.024 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1)C(C)C ZINC000236992868 285097732 /nfs/dbraw/zinc/09/77/32/285097732.db2.gz NOKXWITYCPKFGU-VQIMIIECSA-N 2 0 331.504 3.116 20 0 EGADRP C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154061222 224197320 /nfs/dbraw/zinc/19/73/20/224197320.db2.gz WNXCDSINRUOHGL-VQIMIIECSA-N 2 0 345.487 3.174 20 0 EGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268984923 255508955 /nfs/dbraw/zinc/50/89/55/255508955.db2.gz DUYIYAIWFDRVKD-IRXDYDNUSA-N 2 0 334.504 3.012 20 0 EGADRP C[C@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000116993725 221020276 /nfs/dbraw/zinc/02/02/76/221020276.db2.gz WNIRGFGGNGLDOO-AQNXPRMDSA-N 2 0 329.532 3.281 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000182786293 140989528 /nfs/dbraw/zinc/98/95/28/140989528.db2.gz HUQAQASOPSZNEU-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H](CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237634775 141011757 /nfs/dbraw/zinc/01/17/57/141011757.db2.gz UHSWOKBPYSUVAI-QZTJIDSGSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000246852760 141038798 /nfs/dbraw/zinc/03/87/98/141038798.db2.gz CQHMGHSUSRHLID-QZTJIDSGSA-N 2 0 333.520 3.010 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000246944741 141045168 /nfs/dbraw/zinc/04/51/68/141045168.db2.gz HWYSBOXSHRURGO-QZTJIDSGSA-N 2 0 334.504 3.483 20 0 EGADRP CCOC[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000246999026 141048057 /nfs/dbraw/zinc/04/80/57/141048057.db2.gz OWHUOWDCJWXLDS-BGEOSOQGSA-N 2 0 338.536 3.040 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@@H]3CCCO3)CC2)c1 ZINC000346473252 141202175 /nfs/dbraw/zinc/20/21/75/141202175.db2.gz AQZJSDYVBCZGQS-FPOVZHCZSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000353335741 141289256 /nfs/dbraw/zinc/28/92/56/141289256.db2.gz IAMOPHQLVUDDBX-VQIMIIECSA-N 2 0 347.503 3.185 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353439420 141295159 /nfs/dbraw/zinc/29/51/59/141295159.db2.gz XGQKQSXASHNFIL-UHFFFAOYSA-N 2 0 326.488 3.452 20 0 EGADRP Cc1ccc(CCC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000353458830 141301338 /nfs/dbraw/zinc/30/13/38/141301338.db2.gz LBHOAXIRAVHTEF-RTBURBONSA-N 2 0 345.531 3.144 20 0 EGADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000353472350 141304360 /nfs/dbraw/zinc/30/43/60/141304360.db2.gz TULZDDJSNZHVQW-AHRSYUTCSA-N 2 0 343.515 3.491 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1)C1CC1 ZINC000356263293 141331165 /nfs/dbraw/zinc/33/11/65/141331165.db2.gz ACNZFMKVMFGCAW-JXFKEZNVSA-N 2 0 343.515 3.226 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359592615 141381129 /nfs/dbraw/zinc/38/11/29/141381129.db2.gz NZZLYGDFALFPOE-UYAOXDASSA-N 3 0 344.547 3.146 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(O)(c3cccnc3)CC2)CC1 ZINC000186356486 144131553 /nfs/dbraw/zinc/13/15/53/144131553.db2.gz GRMTWFZAOBERMY-UHFFFAOYSA-N 2 0 331.504 3.064 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CCN1C ZINC000186848003 144144944 /nfs/dbraw/zinc/14/49/44/144144944.db2.gz OAEIKHZEGRWVLT-QLFBSQMISA-N 2 0 341.421 3.356 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN(Cc2ccccc2)C1 ZINC000344723526 144215497 /nfs/dbraw/zinc/21/54/97/144215497.db2.gz KWJAJWSSBIBESP-UYAOXDASSA-N 2 0 329.532 3.219 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]12 ZINC000351478911 144267113 /nfs/dbraw/zinc/26/71/13/144267113.db2.gz PWAPMIBTAAJSAE-DFQSSKMNSA-N 2 0 335.451 3.108 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480521 144267176 /nfs/dbraw/zinc/26/71/76/144267176.db2.gz VNYRNOARLZLTAT-CWLKWCNXSA-N 2 0 329.488 3.115 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000363797641 144367581 /nfs/dbraw/zinc/36/75/81/144367581.db2.gz VPCNCONGGZJSDM-RMKNXTFCSA-N 2 0 327.516 3.049 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000116396341 152057995 /nfs/dbraw/zinc/05/79/95/152057995.db2.gz YLGJDPRJEDMMOZ-MSOLQXFVSA-N 2 0 333.520 3.037 20 0 EGADRP CCc1noc(C)c1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000119666639 152221334 /nfs/dbraw/zinc/22/13/34/152221334.db2.gz ZBEOXTRCCVAXBY-IYBDPMFKSA-N 2 0 349.519 3.257 20 0 EGADRP COCCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000189221646 153057329 /nfs/dbraw/zinc/05/73/29/153057329.db2.gz MADBGEOCEBVXSY-SFHVURJKSA-N 2 0 338.536 3.064 20 0 EGADRP CCN(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cn1 ZINC000190955736 153168252 /nfs/dbraw/zinc/16/82/52/153168252.db2.gz UCPQZAPWVNRPEQ-UHFFFAOYSA-N 2 0 326.488 3.279 20 0 EGADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191518494 153203638 /nfs/dbraw/zinc/20/36/38/153203638.db2.gz GHFFHFIPLASAME-QZTJIDSGSA-N 2 0 327.582 3.009 20 0 EGADRP CCS[C@H]1CC[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191518481 153204763 /nfs/dbraw/zinc/20/47/63/153204763.db2.gz GHFFHFIPLASAME-ROUUACIJSA-N 2 0 327.582 3.009 20 0 EGADRP CC[NH+](CC)CCCN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000191604173 153210347 /nfs/dbraw/zinc/21/03/47/153210347.db2.gz DLXWJNVBSMGZSN-INIZCTEOSA-N 2 0 343.309 3.146 20 0 EGADRP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192917684 153266972 /nfs/dbraw/zinc/26/69/72/153266972.db2.gz KMVKEKNGUYOKBX-HXUWFJFHSA-N 2 0 337.467 3.257 20 0 EGADRP CCOC(=O)C1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192926654 153269073 /nfs/dbraw/zinc/26/90/73/153269073.db2.gz IROYPWHTHNRJKN-XEVCZEQESA-N 2 0 344.499 3.220 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)CN1Cc1ccccc1 ZINC000193158760 153280535 /nfs/dbraw/zinc/28/05/35/153280535.db2.gz AUISWZYTVULNSC-FXAWDEMLSA-N 2 0 344.499 3.172 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000194875648 153362724 /nfs/dbraw/zinc/36/27/24/153362724.db2.gz VYABDMWGRWWXCF-LJQANCHMSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135807 153381887 /nfs/dbraw/zinc/38/18/87/153381887.db2.gz KQAPCBTWXPHOKB-AEFFLSMTSA-N 2 0 332.488 3.218 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000195133662 153383347 /nfs/dbraw/zinc/38/33/47/153383347.db2.gz SKFMVNCUALOYIL-UAFMIMERSA-N 2 0 326.484 3.056 20 0 EGADRP CC(C)Sc1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000305809232 154130346 /nfs/dbraw/zinc/13/03/46/154130346.db2.gz IDUGUYUKAAOMSI-UHFFFAOYSA-N 2 0 336.545 3.466 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000337459580 154363326 /nfs/dbraw/zinc/36/33/26/154363326.db2.gz JYVZNXQWBNVMJJ-INIZCTEOSA-N 2 0 334.504 3.265 20 0 EGADRP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[N@@H+]1C ZINC000346803577 156139845 /nfs/dbraw/zinc/13/98/45/156139845.db2.gz FZWOGWWEHQCTNE-ZMWHVPEISA-N 2 0 327.516 3.254 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C[C@H](C)O1 ZINC000346851041 156164923 /nfs/dbraw/zinc/16/49/23/156164923.db2.gz QGDDGLSPAIODDP-QKLQHJQFSA-N 2 0 328.500 3.148 20 0 EGADRP CCC[N@H+](Cc1ccc(Oc2cnccn2)cc1)C1CC[NH2+]CC1 ZINC000346998412 156236676 /nfs/dbraw/zinc/23/66/76/156236676.db2.gz CVPZOSSPYTZLRW-UHFFFAOYSA-N 2 0 326.444 3.233 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000348919832 156288394 /nfs/dbraw/zinc/28/83/94/156288394.db2.gz IEIDCFAQWCKNTD-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP Cc1oc2ccccc2c1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000348923061 156290273 /nfs/dbraw/zinc/29/02/73/156290273.db2.gz RRBBLYZVOSKKKC-UHFFFAOYSA-N 2 0 331.504 3.447 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2cc(F)ccc2o1 ZINC000348932137 156291915 /nfs/dbraw/zinc/29/19/15/156291915.db2.gz DYPZMEYSWASKRO-UHFFFAOYSA-N 2 0 335.467 3.277 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000349143504 156365405 /nfs/dbraw/zinc/36/54/05/156365405.db2.gz BNRQSFQHOJUPFA-UHFFFAOYSA-N 2 0 341.503 3.353 20 0 EGADRP CCC[C@@H](NC(=O)CN1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401987 157113251 /nfs/dbraw/zinc/11/32/51/157113251.db2.gz HXHYNGGXTUQXDD-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000365658536 157207819 /nfs/dbraw/zinc/20/78/19/157207819.db2.gz DSLOHNNPLGBDEJ-CQSZACIVSA-N 2 0 339.468 3.318 20 0 EGADRP Cc1noc(C2CCC([NH2+]CCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000368644597 157250112 /nfs/dbraw/zinc/25/01/12/157250112.db2.gz DHCLPKMOQKFSEG-BXXOZEPKSA-N 2 0 334.508 3.362 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368684671 157263476 /nfs/dbraw/zinc/26/34/76/157263476.db2.gz WMFMEMGOJLQWKI-SFHVURJKSA-N 2 0 341.846 3.478 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372445780 157333347 /nfs/dbraw/zinc/33/33/47/157333347.db2.gz LESPNWSUGDWDAZ-AZUAARDMSA-N 2 0 327.472 3.001 20 0 EGADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1O ZINC000093769312 162025414 /nfs/dbraw/zinc/02/54/14/162025414.db2.gz WRGVFCGTHCTUTA-UHFFFAOYSA-N 2 0 332.488 3.489 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccc(O)c3)CC2)C[C@@H](C)O1 ZINC000093844396 162030245 /nfs/dbraw/zinc/03/02/45/162030245.db2.gz TVSSIYLAOHRBQL-IAGOWNOFSA-N 2 0 332.488 3.104 20 0 EGADRP Cc1ncccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844424 162030910 /nfs/dbraw/zinc/03/09/10/162030910.db2.gz AMNWZZHHFYCISU-CALCHBBNSA-N 2 0 331.504 3.101 20 0 EGADRP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114455550 162233673 /nfs/dbraw/zinc/23/36/73/162233673.db2.gz MQTMDYCQCXQEKA-HXUWFJFHSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000123268246 162253344 /nfs/dbraw/zinc/25/33/44/162253344.db2.gz SEHPUSAEPMCTJJ-QGZVFWFLSA-N 2 0 325.541 3.074 20 0 EGADRP CC[NH+]1CCC(N(C)Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000125216135 162267612 /nfs/dbraw/zinc/26/76/12/162267612.db2.gz DUFGLUIZHVWCFX-UHFFFAOYSA-N 2 0 328.403 3.213 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000130364838 162365420 /nfs/dbraw/zinc/36/54/20/162365420.db2.gz PAQRXXSQIZCSMI-ROUUACIJSA-N 2 0 345.531 3.236 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000180985255 162767797 /nfs/dbraw/zinc/76/77/97/162767797.db2.gz HDSNQQQEOWAPDA-NRFANRHFSA-N 2 0 343.515 3.067 20 0 EGADRP CCc1nc2cc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)ccc2n1C1CC1 ZINC000338793315 163350461 /nfs/dbraw/zinc/35/04/61/163350461.db2.gz NXYOJAKKYRPNKW-PBHICJAKSA-N 2 0 326.488 3.363 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(C3CCC3)s2)C[C@@H](C)O1 ZINC000343803877 164038941 /nfs/dbraw/zinc/03/89/41/164038941.db2.gz GHQIEKXWQWZHQP-HUUCEWRRSA-N 2 0 337.533 3.390 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343940388 164070400 /nfs/dbraw/zinc/07/04/00/164070400.db2.gz SFSKDSYVPDZFHL-MRXNPFEDSA-N 2 0 345.462 3.272 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000344141002 164113177 /nfs/dbraw/zinc/11/31/77/164113177.db2.gz ZFTCBSZIJSAAJL-SJORKVTESA-N 2 0 327.472 3.304 20 0 EGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000344141000 164113331 /nfs/dbraw/zinc/11/33/31/164113331.db2.gz ZFTCBSZIJSAAJL-IAGOWNOFSA-N 2 0 327.472 3.304 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C(F)F)c1 ZINC000344176236 164120621 /nfs/dbraw/zinc/12/06/21/164120621.db2.gz ROSHLXJBOJRRLN-UHFFFAOYSA-N 2 0 339.474 3.474 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000155119125 287048752 /nfs/dbraw/zinc/04/87/52/287048752.db2.gz IYUIDSWDAMLGID-QWHCGFSZSA-N 2 0 330.303 3.280 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346563857 164397977 /nfs/dbraw/zinc/39/79/77/164397977.db2.gz RMYFUZMCMDUWRI-WOJBJXKFSA-N 2 0 345.462 3.257 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000347728095 164559392 /nfs/dbraw/zinc/55/93/92/164559392.db2.gz XPKZMQUYAZINEO-LJQANCHMSA-N 2 0 348.535 3.097 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000350180523 165016179 /nfs/dbraw/zinc/01/61/79/165016179.db2.gz GBGHEPWCWPQJOU-GOEBONIOSA-N 2 0 326.431 3.459 20 0 EGADRP CCc1cnc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000350267942 165023540 /nfs/dbraw/zinc/02/35/40/165023540.db2.gz PGINCMFMPRYMCP-UHFFFAOYSA-N 2 0 330.501 3.449 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350916233 165082134 /nfs/dbraw/zinc/08/21/34/165082134.db2.gz DAKOIYKOGHOVKB-MRXNPFEDSA-N 2 0 345.531 3.412 20 0 EGADRP C[C@H]1CCC[C@@H](C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000350940842 165084721 /nfs/dbraw/zinc/08/47/21/165084721.db2.gz NCLCPKWGXBFQCK-RBUKOAKNSA-N 2 0 330.520 3.010 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000351620693 165104958 /nfs/dbraw/zinc/10/49/58/165104958.db2.gz QRIYLRCZGVIXGJ-MJGOQNOKSA-N 2 0 329.488 3.212 20 0 EGADRP CSC1(C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000353606962 165826939 /nfs/dbraw/zinc/82/69/39/165826939.db2.gz FSJSUZUTSBTXRV-HZPDHXFCSA-N 2 0 328.566 3.243 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NCc1ccc(C[NH+](C)C)cc1)C(C)C ZINC000355797359 166312621 /nfs/dbraw/zinc/31/26/21/166312621.db2.gz NIWVZVADSAUBOQ-UHFFFAOYSA-N 2 0 348.535 3.008 20 0 EGADRP CC[C@@H](C(=O)N(CC)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000355996973 166370110 /nfs/dbraw/zinc/37/01/10/166370110.db2.gz ZPCVPPKHWXIYDD-FQEVSTJZSA-N 2 0 345.531 3.231 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357061051 166574491 /nfs/dbraw/zinc/57/44/91/166574491.db2.gz ZDAPUDUKTNFVTR-OAHLLOKOSA-N 2 0 328.435 3.037 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+](CC)CC ZINC000359152250 167082682 /nfs/dbraw/zinc/08/26/82/167082682.db2.gz BUOYDPYOIBAHLS-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccc(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C ZINC000359420840 167151362 /nfs/dbraw/zinc/15/13/62/167151362.db2.gz IXOBIEPEGZDFEC-UHFFFAOYSA-N 2 0 334.508 3.041 20 0 EGADRP CCCCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000359536345 167183083 /nfs/dbraw/zinc/18/30/83/167183083.db2.gz KFEDJUHZTKNTJI-MRXNPFEDSA-N 2 0 342.487 3.480 20 0 EGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000359567341 167196289 /nfs/dbraw/zinc/19/62/89/167196289.db2.gz WZZDMWGTYVZIHT-JQHSSLGASA-N 2 0 347.503 3.232 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552316 167356023 /nfs/dbraw/zinc/35/60/23/167356023.db2.gz NTIKMTATAXJRJN-VGOFRKELSA-N 2 0 349.478 3.366 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000365222367 168036598 /nfs/dbraw/zinc/03/65/98/168036598.db2.gz DTXATQLZNFSUHL-KRWDZBQOSA-N 2 0 339.524 3.194 20 0 EGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000366921944 168157400 /nfs/dbraw/zinc/15/74/00/168157400.db2.gz LGSUDXWQPVITBW-AWEZNQCLSA-N 2 0 339.361 3.351 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000366965941 168162960 /nfs/dbraw/zinc/16/29/60/168162960.db2.gz JKMNDPRMKYCGQJ-IRXDYDNUSA-N 2 0 348.535 3.094 20 0 EGADRP CC(C)Oc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367658227 168255909 /nfs/dbraw/zinc/25/59/09/168255909.db2.gz JHVNAKKYTRDMGT-FQEVSTJZSA-N 2 0 345.531 3.074 20 0 EGADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367816333 168273161 /nfs/dbraw/zinc/27/31/61/168273161.db2.gz SPHXPDSXENYDTG-SJLPKXTDSA-N 2 0 336.520 3.305 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)ncn2C ZINC000367952969 168287736 /nfs/dbraw/zinc/28/77/36/168287736.db2.gz XJQNTUBSNRJAEY-QAPCUYQASA-N 2 0 335.455 3.291 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)ccc1OC(F)F ZINC000124146607 222382556 /nfs/dbraw/zinc/38/25/56/222382556.db2.gz GIFWQSUVMYGHLI-AWEZNQCLSA-N 2 0 328.403 3.118 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCn1ccnc1C ZINC000179492021 265379104 /nfs/dbraw/zinc/37/91/04/265379104.db2.gz LHXXKVHNGDCKPW-HNNXBMFYSA-N 2 0 328.460 3.103 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000237342329 266231438 /nfs/dbraw/zinc/23/14/38/266231438.db2.gz QPIMDKCDNWCEHO-QGZVFWFLSA-N 2 0 343.515 3.196 20 0 EGADRP c1cc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000269677871 266339436 /nfs/dbraw/zinc/33/94/36/266339436.db2.gz SMBQMVLPJSZBLV-AZUAARDMSA-N 2 0 326.484 3.113 20 0 EGADRP Cc1ccc(CC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000269682992 266341154 /nfs/dbraw/zinc/34/11/54/266341154.db2.gz UHYSBTBZQCENFM-UHFFFAOYSA-N 2 0 329.532 3.028 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274807606 267290230 /nfs/dbraw/zinc/29/02/30/267290230.db2.gz HBQZNILIBKTBPK-CRAIPNDOSA-N 2 0 329.513 3.494 20 0 EGADRP Cc1cc(C)n(CCC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000274967429 267312741 /nfs/dbraw/zinc/31/27/41/267312741.db2.gz XPUNOALJBCXEOT-FPOVZHCZSA-N 2 0 340.515 3.390 20 0 EGADRP Cc1cc(C)n(CCC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000274967423 267312813 /nfs/dbraw/zinc/31/28/13/267312813.db2.gz XPUNOALJBCXEOT-CTNGQTDRSA-N 2 0 340.515 3.390 20 0 EGADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275583142 267385140 /nfs/dbraw/zinc/38/51/40/267385140.db2.gz DQDYVHSLICBJLI-UHFFFAOYSA-N 2 0 348.535 3.376 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000278447375 268014713 /nfs/dbraw/zinc/01/47/13/268014713.db2.gz IBSYNIOOJIMUFF-ZWKOTPCHSA-N 2 0 342.487 3.024 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(OC(F)F)c1 ZINC000278464966 268018657 /nfs/dbraw/zinc/01/86/57/268018657.db2.gz FYCGBDDHVGDUSF-UHFFFAOYSA-N 2 0 340.414 3.261 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524638 275057633 /nfs/dbraw/zinc/05/76/33/275057633.db2.gz JBFZYZFZVJUQSA-KFKAGJAMSA-N 2 0 334.891 3.322 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000263280378 275233407 /nfs/dbraw/zinc/23/34/07/275233407.db2.gz UEFHIDIRNHUHGA-FPOVZHCZSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc(OCC[NH+](C)C)c1 ZINC000268819636 275235854 /nfs/dbraw/zinc/23/58/54/275235854.db2.gz NRUGTPSXBMXCJC-KXBFYZLASA-N 2 0 342.487 3.089 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C[NH+]1CCCCC1 ZINC000279866341 275367465 /nfs/dbraw/zinc/36/74/65/275367465.db2.gz JGZCPSRDACHTQJ-HNNXBMFYSA-N 2 0 347.894 3.132 20 0 EGADRP CC(C)OC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000337340929 275660638 /nfs/dbraw/zinc/66/06/38/275660638.db2.gz PVNNCRHUGVUMIG-HOTGVXAUSA-N 2 0 337.483 3.042 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000286670398 276030345 /nfs/dbraw/zinc/03/03/45/276030345.db2.gz VBDBCFNYWDUKEK-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP C[N@H+](CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000287631243 276142086 /nfs/dbraw/zinc/14/20/86/276142086.db2.gz KJFGSZVRIPDVSI-HOTGVXAUSA-N 2 0 330.394 3.208 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000287724972 276151017 /nfs/dbraw/zinc/15/10/17/276151017.db2.gz OTKQBUSXBFTALV-ZWKOTPCHSA-N 2 0 341.503 3.430 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC000351762431 276203098 /nfs/dbraw/zinc/20/30/98/276203098.db2.gz YWORUFUGIORGGK-GJZGRUSLSA-N 2 0 325.447 3.366 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H](C)C1 ZINC000095967428 276228476 /nfs/dbraw/zinc/22/84/76/276228476.db2.gz YARCBWICIVYVGR-APWZRJJASA-N 2 0 334.479 3.194 20 0 EGADRP Cc1cc(F)ccc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288606542 276233697 /nfs/dbraw/zinc/23/36/97/276233697.db2.gz QCHHHOHZXCLBQT-UHFFFAOYSA-N 2 0 331.435 3.149 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)[C@H](C)C1 ZINC000122260722 276316056 /nfs/dbraw/zinc/31/60/56/276316056.db2.gz BWMOKAVUDOWORQ-TYCQWZJGSA-N 2 0 346.515 3.409 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cc(Cl)ccc43)C2)CC1 ZINC000370638708 276886724 /nfs/dbraw/zinc/88/67/24/276886724.db2.gz YRPCUBJARXVOTB-QFBILLFUSA-N 2 0 333.907 3.085 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000162585936 277105427 /nfs/dbraw/zinc/10/54/27/277105427.db2.gz OHWIBWUIKVJLQK-MRXNPFEDSA-N 2 0 342.314 3.208 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091266645 277105504 /nfs/dbraw/zinc/10/55/04/277105504.db2.gz UTWOOLPAPFSKAJ-HXUWFJFHSA-N 2 0 333.495 3.284 20 0 EGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000353270660 277213773 /nfs/dbraw/zinc/21/37/73/277213773.db2.gz BLTRBRXLRNROGH-FQEVSTJZSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCOc3ccccc32)C[C@@H](C)O1 ZINC000246926544 277889250 /nfs/dbraw/zinc/88/92/50/277889250.db2.gz GTNHGVUJQHAUSV-LMMKCTJWSA-N 2 0 332.488 3.379 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000155678268 288105726 /nfs/dbraw/zinc/10/57/26/288105726.db2.gz PSRNMQJBFSSTKM-MBOZVWFJSA-N 2 0 329.532 3.142 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)CN1CC[NH+](C)CC1 ZINC000123160747 279355345 /nfs/dbraw/zinc/35/53/45/279355345.db2.gz KGNPBEYNOTZHDH-RLLQIKCJSA-N 2 0 329.532 3.042 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000186999528 279356558 /nfs/dbraw/zinc/35/65/58/279356558.db2.gz FUMJPKWHFHENIX-OAQYLSRUSA-N 2 0 331.548 3.261 20 0 EGADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000354276498 288158757 /nfs/dbraw/zinc/15/87/57/288158757.db2.gz BXUOPISJMPFUJP-IAGOWNOFSA-N 2 0 326.525 3.155 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182064983 280326427 /nfs/dbraw/zinc/32/64/27/280326427.db2.gz WOMQWHTZVFBUTB-KSSFIOAISA-N 2 0 341.902 3.402 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000236679224 282070971 /nfs/dbraw/zinc/07/09/71/282070971.db2.gz OLPJKDFPRNPVGH-SFHVURJKSA-N 2 0 331.504 3.013 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236684670 282072103 /nfs/dbraw/zinc/07/21/03/282072103.db2.gz AQAPGHTZBVLTGI-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC[N@@H+]1C ZINC000151163016 297283560 /nfs/dbraw/zinc/28/35/60/297283560.db2.gz NXOQWGANGUODGV-QAPCUYQASA-N 2 0 336.907 3.461 20 0 EGADRP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357048227 298157628 /nfs/dbraw/zinc/15/76/28/298157628.db2.gz MPOLDEHHJLPWIP-RMJJICAUSA-N 2 0 343.515 3.201 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000066960894 307364000 /nfs/dbraw/zinc/36/40/00/307364000.db2.gz VBSMKORKCGUFPN-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc2ccccc12 ZINC000078361044 307418556 /nfs/dbraw/zinc/41/85/56/307418556.db2.gz NVFHVYUKRLEXFM-UHFFFAOYSA-N 2 0 347.528 3.247 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[NH+](C)C ZINC000132512992 307659017 /nfs/dbraw/zinc/65/90/17/307659017.db2.gz KIRIQYLGAMOREX-FUHWJXTLSA-N 2 0 331.504 3.106 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000414172696 309064639 /nfs/dbraw/zinc/06/46/39/309064639.db2.gz FBWYNMKXZQARHF-ATZDWAIDSA-N 2 0 332.488 3.235 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000414186922 309065664 /nfs/dbraw/zinc/06/56/64/309065664.db2.gz PUKQKJMFFOPAKE-AEFFLSMTSA-N 2 0 341.503 3.267 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000414191485 309065978 /nfs/dbraw/zinc/06/59/78/309065978.db2.gz SOCGJOKQQVKRBM-PKOBYXMFSA-N 2 0 326.488 3.314 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Cl ZINC000154366859 307793096 /nfs/dbraw/zinc/79/30/96/307793096.db2.gz GRQGMABOYIEWSM-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1F ZINC000154371053 307793392 /nfs/dbraw/zinc/79/33/92/307793392.db2.gz GIYQRQUIBLXRQO-HNNXBMFYSA-N 2 0 339.524 3.226 20 0 EGADRP Cc1occc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000414285776 309070724 /nfs/dbraw/zinc/07/07/24/309070724.db2.gz IIGZPJCWYSVIDI-UHFFFAOYSA-N 2 0 341.499 3.276 20 0 EGADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414337586 309073672 /nfs/dbraw/zinc/07/36/72/309073672.db2.gz DQNUQVZVWIGVBW-FHLIZLRMSA-N 2 0 329.463 3.465 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000248984914 308016251 /nfs/dbraw/zinc/01/62/51/308016251.db2.gz JREYLVSPLPEKGR-WDYCEAGBSA-N 2 0 334.479 3.429 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(O)c1 ZINC000249512322 308025188 /nfs/dbraw/zinc/02/51/88/308025188.db2.gz ILZYFTKMVNXSPS-JXFKEZNVSA-N 2 0 340.467 3.200 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1 ZINC000271846842 308066880 /nfs/dbraw/zinc/06/68/80/308066880.db2.gz IRQVXBKZZFBLEW-UIAACRFSSA-N 2 0 334.479 3.287 20 0 EGADRP CC(=O)NC1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000293880432 308170455 /nfs/dbraw/zinc/17/04/55/308170455.db2.gz VKQTUHOUUHNIOH-JPXCIIHESA-N 2 0 343.515 3.076 20 0 EGADRP CC1(c2ccccc2)CC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000294171409 308196969 /nfs/dbraw/zinc/19/69/69/308196969.db2.gz JJVJJCCKNYVDTQ-MDMXATFFSA-N 2 0 328.500 3.197 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000294448511 308221878 /nfs/dbraw/zinc/22/18/78/308221878.db2.gz YBXGORNMMLBOQP-NQIIRXRSSA-N 2 0 338.495 3.477 20 0 EGADRP Cc1cnccc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000294958155 308276216 /nfs/dbraw/zinc/27/62/16/308276216.db2.gz FSKONCAUFUKCQA-MRXNPFEDSA-N 2 0 342.462 3.132 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N2CCCC2=O)cc1 ZINC000295130179 308294886 /nfs/dbraw/zinc/29/48/86/308294886.db2.gz YKCMQHWTHDMGFX-DJXYKJKZSA-N 2 0 327.472 3.089 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000295243445 308306756 /nfs/dbraw/zinc/30/67/56/308306756.db2.gz DETJOLONLSKEDK-QGZVFWFLSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000414629154 309092571 /nfs/dbraw/zinc/09/25/71/309092571.db2.gz PVGRBJUTDPAYSO-GDBMZVCRSA-N 2 0 326.444 3.033 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000414696869 309095932 /nfs/dbraw/zinc/09/59/32/309095932.db2.gz QPNDBMZFTQJRIT-ZFWWWQNUSA-N 2 0 325.294 3.312 20 0 EGADRP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772080 309100034 /nfs/dbraw/zinc/10/00/34/309100034.db2.gz BGADOOIEZQWQOG-LSDHHAIUSA-N 2 0 328.378 3.407 20 0 EGADRP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778927 309100517 /nfs/dbraw/zinc/10/05/17/309100517.db2.gz JPNMKCJSXSDYBX-HUUCEWRRSA-N 2 0 328.378 3.407 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784231 309101045 /nfs/dbraw/zinc/10/10/45/309101045.db2.gz QZADKGXRIBGSDG-LSDHHAIUSA-N 2 0 328.485 3.027 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787682 309101181 /nfs/dbraw/zinc/10/11/81/309101181.db2.gz VTSMUDLMENTIAT-SJORKVTESA-N 2 0 342.462 3.141 20 0 EGADRP CCO[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298171741 308590146 /nfs/dbraw/zinc/59/01/46/308590146.db2.gz UIPDLSBOOOCWLO-FQEVSTJZSA-N 2 0 325.456 3.418 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414794820 309101868 /nfs/dbraw/zinc/10/18/68/309101868.db2.gz WCKKTVXKTZBBSM-SFHVURJKSA-N 2 0 332.488 3.053 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc(Cl)c1OC ZINC000414796584 309101936 /nfs/dbraw/zinc/10/19/36/309101936.db2.gz HUBCKDXKEFZBBW-HIFRSBDPSA-N 2 0 326.868 3.354 20 0 EGADRP Fc1ccccc1COc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414828369 309104072 /nfs/dbraw/zinc/10/40/72/309104072.db2.gz MEIFMQDQNCKDNC-KRWDZBQOSA-N 2 0 328.431 3.494 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414830674 309104181 /nfs/dbraw/zinc/10/41/81/309104181.db2.gz CGOHBSLKWHKWQM-OLZOCXBDSA-N 2 0 343.284 3.499 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000414830769 309104361 /nfs/dbraw/zinc/10/43/61/309104361.db2.gz CKIUBMMGBPBGBH-MRXNPFEDSA-N 2 0 328.456 3.219 20 0 EGADRP C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCCCC1 ZINC000303784745 308755157 /nfs/dbraw/zinc/75/51/57/308755157.db2.gz HGFIEDKCQUUIIS-ZWKOTPCHSA-N 2 0 345.531 3.497 20 0 EGADRP Cn1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414846400 309105100 /nfs/dbraw/zinc/10/51/00/309105100.db2.gz HCGUSUXXROSFJL-CQSZACIVSA-N 2 0 332.879 3.220 20 0 EGADRP CCc1noc(C2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)n1 ZINC000329538079 308784083 /nfs/dbraw/zinc/78/40/83/308784083.db2.gz MHLPMODRPJTNMB-UHFFFAOYSA-N 2 0 332.492 3.265 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400468141 308907615 /nfs/dbraw/zinc/90/76/15/308907615.db2.gz WVJHAKYDHOTJFQ-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)CCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413029588 309012505 /nfs/dbraw/zinc/01/25/05/309012505.db2.gz SGBHRCSBWLMIAH-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC(C[NH+](C)C)CC3)c2cc1OC ZINC000413063511 309014181 /nfs/dbraw/zinc/01/41/81/309014181.db2.gz RKXVBEXKQGIMIE-UHFFFAOYSA-N 2 0 329.444 3.030 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414851336 309105434 /nfs/dbraw/zinc/10/54/34/309105434.db2.gz JASBLFJHPHFTRV-RDJZCZTQSA-N 2 0 335.923 3.282 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414887202 309107246 /nfs/dbraw/zinc/10/72/46/309107246.db2.gz ZCWOHZAWCAWGPU-KRWDZBQOSA-N 2 0 334.467 3.283 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414899667 309108140 /nfs/dbraw/zinc/10/81/40/309108140.db2.gz CQNBGZPIMDNBKT-LRDDRELGSA-N 2 0 343.284 3.499 20 0 EGADRP Cc1cc(Br)cc(C[NH2+]CCCC[NH3+])c1OC(F)F ZINC000414915357 309109038 /nfs/dbraw/zinc/10/90/38/309109038.db2.gz ZGFUTFQMMVNRGP-UHFFFAOYSA-N 2 0 337.208 3.187 20 0 EGADRP CN(c1ccccc1CNc1ccc(C[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000414917536 309109111 /nfs/dbraw/zinc/10/91/11/309109111.db2.gz WGFDTPWYPKPJEX-UHFFFAOYSA-N 2 0 338.499 3.288 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)NC[C@@H]2[NH2+]CCCC2(C)C)c1C ZINC000414928512 309109629 /nfs/dbraw/zinc/10/96/29/309109629.db2.gz NIYIJPHIQDDAAH-YJBOKZPZSA-N 2 0 331.504 3.388 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414967166 309112023 /nfs/dbraw/zinc/11/20/23/309112023.db2.gz GWYIFPTUDVSGTH-QGZVFWFLSA-N 2 0 330.451 3.250 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414967814 309112028 /nfs/dbraw/zinc/11/20/28/309112028.db2.gz HORIAXXIGODBNC-OAHLLOKOSA-N 2 0 348.288 3.475 20 0 EGADRP CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414980723 309112686 /nfs/dbraw/zinc/11/26/86/309112686.db2.gz WNYSKMMKADQKCS-IBGZPJMESA-N 2 0 346.519 3.354 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414985338 309112850 /nfs/dbraw/zinc/11/28/50/309112850.db2.gz BFHMSJKSZDKOGM-WCQYABFASA-N 2 0 327.266 3.065 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OC ZINC000414990606 309113019 /nfs/dbraw/zinc/11/30/19/309113019.db2.gz ISJVCGGUCNPUPQ-OCCSQVGLSA-N 2 0 326.868 3.354 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000414996610 309113277 /nfs/dbraw/zinc/11/32/77/309113277.db2.gz GNIMSBDRUZTZQT-RSRIQPTJSA-N 2 0 345.506 3.029 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414998594 309113522 /nfs/dbraw/zinc/11/35/22/309113522.db2.gz UGTYCJRWJHNENF-KKNUOHPOSA-N 2 0 328.378 3.233 20 0 EGADRP Fc1cc(-c2ccncc2)ccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013728 309114413 /nfs/dbraw/zinc/11/44/13/309114413.db2.gz VMQWKLIDANXGDA-AZUAARDMSA-N 2 0 325.431 3.365 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000415019344 309114658 /nfs/dbraw/zinc/11/46/58/309114658.db2.gz ICHVSWJPOBRZIJ-VIFPVBQESA-N 2 0 337.208 3.268 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000415026247 309115082 /nfs/dbraw/zinc/11/50/82/309115082.db2.gz SIDFDCHUMFFMKL-ANTGDGSKSA-N 2 0 329.532 3.394 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000415036010 309115739 /nfs/dbraw/zinc/11/57/39/309115739.db2.gz KZUSAOIEUZLCME-JOYOIKCWSA-N 2 0 349.219 3.268 20 0 EGADRP Cc1csc(N2CCC([NH2+][C@@H](CCC[NH3+])c3ccccc3)CC2)n1 ZINC000415053684 309116703 /nfs/dbraw/zinc/11/67/03/309116703.db2.gz MQRJQGNWPOTGDF-SFHVURJKSA-N 2 0 344.528 3.490 20 0 EGADRP Brc1cccc(C2(C[NH2+]C[C@H]3CCC[NH2+]C3)CCC2)c1 ZINC000415079359 309118811 /nfs/dbraw/zinc/11/88/11/309118811.db2.gz JZDBJZOBDGMBEG-AWEZNQCLSA-N 2 0 337.305 3.460 20 0 EGADRP Fc1ccc(CN2CCC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000415083954 309119248 /nfs/dbraw/zinc/11/92/48/309119248.db2.gz OKCREOFKNUHYDH-QGZVFWFLSA-N 2 0 339.886 3.033 20 0 EGADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000415085682 309119389 /nfs/dbraw/zinc/11/93/89/309119389.db2.gz QZHUSNXSFHLOMI-GDBMZVCRSA-N 2 0 330.501 3.258 20 0 EGADRP COc1ccc([C@@H](C[NH2+]C2CCC(C[NH3+])CC2)N2CCCCC2)cc1 ZINC000415091757 309119665 /nfs/dbraw/zinc/11/96/65/309119665.db2.gz ZYIUZVNHBNOUQH-CNBHCMJISA-N 2 0 345.531 3.329 20 0 EGADRP COC(=O)[C@](C)(C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000415093590 309119749 /nfs/dbraw/zinc/11/97/49/309119749.db2.gz CEJBAAQSXGWFJM-XKGZKEIXSA-N 2 0 332.488 3.018 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000415100045 309120331 /nfs/dbraw/zinc/12/03/31/309120331.db2.gz ACAIAWDCYAJKAR-SJORKVTESA-N 2 0 326.843 3.197 20 0 EGADRP CC[C@H](C[NH2+]CC1CC[NH2+]CC1)Oc1ccccc1C(F)(F)F ZINC000415114319 309121301 /nfs/dbraw/zinc/12/13/01/309121301.db2.gz FWYDRKXUUFEXNL-CQSZACIVSA-N 2 0 330.394 3.452 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415116516 309121352 /nfs/dbraw/zinc/12/13/52/309121352.db2.gz BNVFKLLCGWJXIG-QMMLZNLJSA-N 2 0 330.516 3.474 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000415117493 309121357 /nfs/dbraw/zinc/12/13/57/309121357.db2.gz ZKXRKWVEDXYFKA-ZFWWWQNUSA-N 2 0 348.434 3.485 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415119021 309121644 /nfs/dbraw/zinc/12/16/44/309121644.db2.gz FCARORHETKBJMU-AZUAARDMSA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000415128321 309122375 /nfs/dbraw/zinc/12/23/75/309122375.db2.gz SFRZRCWHRJWSHB-DLBZAZTESA-N 2 0 342.405 3.424 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415131248 309122675 /nfs/dbraw/zinc/12/26/75/309122675.db2.gz YRQFLPIELMGLJI-UYAOXDASSA-N 2 0 332.488 3.194 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1C[NH3+] ZINC000415135488 309123119 /nfs/dbraw/zinc/12/31/19/309123119.db2.gz WSDPNQIBHRIYGG-AEFFLSMTSA-N 2 0 325.456 3.077 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)CC(C)C ZINC000415905788 309147309 /nfs/dbraw/zinc/14/73/09/309147309.db2.gz VOCDFPBUHZMMFE-QGZVFWFLSA-N 2 0 334.508 3.284 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000415931003 309149462 /nfs/dbraw/zinc/14/94/62/309149462.db2.gz KZTRXSNMNYIEIH-IBGZPJMESA-N 2 0 346.519 3.284 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000415932041 309149504 /nfs/dbraw/zinc/14/95/04/309149504.db2.gz NJPWPPXLTVNFPV-IRXDYDNUSA-N 2 0 346.519 3.286 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415944549 309150423 /nfs/dbraw/zinc/15/04/23/309150423.db2.gz AKEIVHBPTYUBLL-UHFFFAOYSA-N 2 0 340.471 3.309 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000415976997 309152455 /nfs/dbraw/zinc/15/24/55/309152455.db2.gz XFAYHZPOTKXVHA-UHFFFAOYSA-N 2 0 346.500 3.063 20 0 EGADRP CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416090794 309158060 /nfs/dbraw/zinc/15/80/60/309158060.db2.gz DWNNCWGPJXDNRI-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000417702678 309218745 /nfs/dbraw/zinc/21/87/45/309218745.db2.gz KOJWFGPDLYCRCB-XYJFISCASA-N 2 0 346.519 3.027 20 0 EGADRP CC(C)(C(=O)NCC[NH2+]C1CCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000417818795 309223891 /nfs/dbraw/zinc/22/38/91/309223891.db2.gz SPOCVDWQDJEKLB-SFHVURJKSA-N 2 0 331.504 3.141 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417925052 309228679 /nfs/dbraw/zinc/22/86/79/309228679.db2.gz BMMJVDQGBYTFME-WJMWBRGCSA-N 2 0 328.500 3.148 20 0 EGADRP [NH3+]CCC[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000418677482 309253323 /nfs/dbraw/zinc/25/33/23/309253323.db2.gz RTYILXXUFZSNTI-IBGZPJMESA-N 2 0 346.519 3.017 20 0 EGADRP [NH3+]CC1CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000420271467 309278769 /nfs/dbraw/zinc/27/87/69/309278769.db2.gz KLPLQXRCWBOCPG-UHFFFAOYSA-N 2 0 349.478 3.121 20 0 EGADRP COC(=O)CC1(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000420305446 309280776 /nfs/dbraw/zinc/28/07/76/309280776.db2.gz GIOKGSFQOOVPMC-MOPGFXCFSA-N 2 0 344.499 3.002 20 0 EGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000420310924 309281344 /nfs/dbraw/zinc/28/13/44/309281344.db2.gz VJYHTBZZAKZMHJ-HOJAQTOUSA-N 2 0 344.886 3.060 20 0 EGADRP Fc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420319408 309281919 /nfs/dbraw/zinc/28/19/19/309281919.db2.gz ABMOVTCTIXXPEY-JKSUJKDBSA-N 2 0 329.419 3.302 20 0 EGADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1C ZINC000420326229 309282234 /nfs/dbraw/zinc/28/22/34/309282234.db2.gz JPEZYRYZACZQSB-CTNGQTDRSA-N 2 0 344.499 3.143 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329418 309282599 /nfs/dbraw/zinc/28/25/99/309282599.db2.gz GSDDFANRLHYOQS-LZQZEXGQSA-N 2 0 343.515 3.070 20 0 EGADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333135 309282862 /nfs/dbraw/zinc/28/28/62/309282862.db2.gz SLRAPOJYYUOGAM-HIFRSBDPSA-N 2 0 340.414 3.036 20 0 EGADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345768 309283363 /nfs/dbraw/zinc/28/33/63/309283363.db2.gz WOQHCZBLUBCYQB-IAGOWNOFSA-N 2 0 343.515 3.244 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420378828 309285329 /nfs/dbraw/zinc/28/53/29/309285329.db2.gz UQQZAAZXUWAMJE-PBHICJAKSA-N 2 0 342.405 3.468 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000420395497 309286316 /nfs/dbraw/zinc/28/63/16/309286316.db2.gz DMCBOQYKFKIMCA-XJKSGUPXSA-N 2 0 346.450 3.033 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCSCC(C)C)CC2)CC1 ZINC000420974921 309305320 /nfs/dbraw/zinc/30/53/20/309305320.db2.gz FJPFPGKOVYERGL-UHFFFAOYSA-N 2 0 341.609 3.258 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc(C3CC3)c2)ccn1 ZINC000421344513 309319389 /nfs/dbraw/zinc/31/93/89/309319389.db2.gz PVFMZGRDACRDCS-UHFFFAOYSA-N 2 0 325.456 3.189 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3C(C)=CCC[C@H]3C)CC2)CC1 ZINC000421372694 309321189 /nfs/dbraw/zinc/32/11/89/309321189.db2.gz LIJSMJNSCWPSPZ-TZIWHRDSSA-N 2 0 333.564 3.471 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000421844506 309342982 /nfs/dbraw/zinc/34/29/82/309342982.db2.gz UDKYKWYZNYIZQG-PXNSSMCTSA-N 2 0 346.515 3.081 20 0 EGADRP CON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000421875121 309344497 /nfs/dbraw/zinc/34/44/97/309344497.db2.gz JPNITARJVPCRRL-PWRODBHTSA-N 2 0 343.515 3.045 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc(C)n1 ZINC000421889205 309345128 /nfs/dbraw/zinc/34/51/28/309345128.db2.gz UIIBTUVNICPETJ-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(SC)cc1OC ZINC000422560001 309361643 /nfs/dbraw/zinc/36/16/43/309361643.db2.gz FPZNAHLMMNKINE-YDHLFZDLSA-N 2 0 338.517 3.231 20 0 EGADRP CCC(CC)(CNC(=O)NC(C)(C)CC[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422598513 309362410 /nfs/dbraw/zinc/36/24/10/309362410.db2.gz NNMXLFNMJPJPCZ-MRXNPFEDSA-N 2 0 348.535 3.323 20 0 EGADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCCCC1 ZINC000422707275 309364082 /nfs/dbraw/zinc/36/40/82/309364082.db2.gz HEBQJWSOHYERKR-PKOBYXMFSA-N 2 0 333.520 3.329 20 0 EGADRP C(CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCOC1CCCCC1 ZINC000422711454 309364173 /nfs/dbraw/zinc/36/41/73/309364173.db2.gz MRHISCZEZBXIEL-XUVXKRRUSA-N 2 0 338.536 3.253 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])c2)cc1 ZINC000422711165 309364211 /nfs/dbraw/zinc/36/42/11/309364211.db2.gz MZRVPUPTEVJKDP-ICSRJNTNSA-N 2 0 337.467 3.464 20 0 EGADRP [NH3+]CC1CCC([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000422723172 309365117 /nfs/dbraw/zinc/36/51/17/309365117.db2.gz ZRXOUJWISSFVHD-UHFFFAOYSA-N 2 0 327.428 3.139 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422734888 309365837 /nfs/dbraw/zinc/36/58/37/309365837.db2.gz URIBHFYTMZUZFE-FGTMMUONSA-N 2 0 336.907 3.364 20 0 EGADRP Fc1ccc(SCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422755494 309366891 /nfs/dbraw/zinc/36/68/91/309366891.db2.gz IAJUEEDZXPHDER-FGTMMUONSA-N 2 0 338.492 3.055 20 0 EGADRP C[C@@H]([NH2+]C1(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422765918 309367216 /nfs/dbraw/zinc/36/72/16/309367216.db2.gz PVGUMCCIJYNOQZ-HBFSDRIKSA-N 2 0 345.531 3.007 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422769904 309367291 /nfs/dbraw/zinc/36/72/91/309367291.db2.gz VMLDSXMETURFIO-ORAYPTAESA-N 2 0 346.906 3.456 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422768465 309367416 /nfs/dbraw/zinc/36/74/16/309367416.db2.gz UPRIPYFJJGETLV-HSALFYBXSA-N 2 0 346.490 3.384 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000422779863 309367834 /nfs/dbraw/zinc/36/78/34/309367834.db2.gz JKNXNQFROOKVQL-QGZVFWFLSA-N 2 0 346.515 3.184 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422782070 309368083 /nfs/dbraw/zinc/36/80/83/309368083.db2.gz MQNDEZCZYIKSRC-IPMKNSEASA-N 2 0 332.488 3.147 20 0 EGADRP Cc1c([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cnn1-c1ccc(F)cc1 ZINC000422789543 309368283 /nfs/dbraw/zinc/36/82/83/309368283.db2.gz UBTKHRMDYPGAMQ-KTAKPFMOSA-N 2 0 330.451 3.488 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC[NH2+]CC1 ZINC000422790480 309368389 /nfs/dbraw/zinc/36/83/89/309368389.db2.gz CBSBNGULHPSWLC-XLAORIBOSA-N 2 0 336.520 3.256 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422796857 309368870 /nfs/dbraw/zinc/36/88/70/309368870.db2.gz ZELLCWOZSKDQNI-GEALJGNFSA-N 2 0 332.488 3.363 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000422798483 309368973 /nfs/dbraw/zinc/36/89/73/309368973.db2.gz RIISONFTAAIJRB-PWIZWCRZSA-N 2 0 333.520 3.056 20 0 EGADRP c1ccc([C@@H]2C[C@H](N[C@H]3CC[N@@H+](CC4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422799729 309369142 /nfs/dbraw/zinc/36/91/42/309369142.db2.gz YETYHCBNHROVPZ-HKBOAZHASA-N 2 0 327.516 3.334 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)CC[NH2+]CC1 ZINC000422800730 309369202 /nfs/dbraw/zinc/36/92/02/309369202.db2.gz ADIQWRDPKYORKM-ZFWWWQNUSA-N 2 0 338.517 3.337 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000422802016 309369338 /nfs/dbraw/zinc/36/93/38/309369338.db2.gz GPBZOZIXTBZKKH-QAPCUYQASA-N 2 0 330.472 3.049 20 0 EGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422826607 309370623 /nfs/dbraw/zinc/37/06/23/309370623.db2.gz RBICDYZCQWHBID-ZDUSSCGKSA-N 2 0 341.883 3.093 20 0 EGADRP COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422843617 309371475 /nfs/dbraw/zinc/37/14/75/309371475.db2.gz IYRRVHOJUUCHDZ-AWEZNQCLSA-N 2 0 325.456 3.240 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422844360 309371626 /nfs/dbraw/zinc/37/16/26/309371626.db2.gz LNXUWJLGJQEXPP-KGLIPLIRSA-N 2 0 329.419 3.293 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422854940 309372211 /nfs/dbraw/zinc/37/22/11/309372211.db2.gz USUPMYDMBQTCMJ-DLBZAZTESA-N 2 0 332.488 3.091 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422855135 309372237 /nfs/dbraw/zinc/37/22/37/309372237.db2.gz UWRFZAJCXGVPGM-ZVDSWSACSA-N 2 0 334.426 3.102 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2)n1 ZINC000422867013 309372745 /nfs/dbraw/zinc/37/27/45/309372745.db2.gz RNQUWJRHZAKEMY-VQTJNVASSA-N 2 0 326.488 3.281 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867132 309372798 /nfs/dbraw/zinc/37/27/98/309372798.db2.gz RPHDWSOLSIHEBE-BEVDRBHNSA-N 2 0 326.440 3.321 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(O[C@H]2CCOC2)c1 ZINC000422869885 309372821 /nfs/dbraw/zinc/37/28/21/309372821.db2.gz AXFZKSJORDGADJ-MTQWCTHYSA-N 2 0 344.499 3.173 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000422872995 309373097 /nfs/dbraw/zinc/37/30/97/309373097.db2.gz JKVCOJQBXBPLIK-OXFYSEKESA-N 2 0 338.499 3.162 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883514 309373930 /nfs/dbraw/zinc/37/39/30/309373930.db2.gz QOHZJMCSJLAFPD-XVSDAANHSA-N 3 0 327.516 3.434 20 0 EGADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422885697 309374131 /nfs/dbraw/zinc/37/41/31/309374131.db2.gz ZERMKQSWIHIYPN-PWIZWCRZSA-N 2 0 348.531 3.341 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912126 309375759 /nfs/dbraw/zinc/37/57/59/309375759.db2.gz VMVIXDYATQHORY-DOTOQJQBSA-N 2 0 332.536 3.400 20 0 EGADRP Fc1cccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422939698 309377259 /nfs/dbraw/zinc/37/72/59/309377259.db2.gz IEKUZFAQQKPMHB-ICSRJNTNSA-N 2 0 342.414 3.050 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422942839 309377396 /nfs/dbraw/zinc/37/73/96/309377396.db2.gz QGNMRBOCGCNYQG-WMQCIHAUSA-N 2 0 329.532 3.047 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422951681 309377719 /nfs/dbraw/zinc/37/77/19/309377719.db2.gz ZRXVBRPKXGWUFL-HOCLYGCPSA-N 2 0 344.528 3.385 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422956765 309378163 /nfs/dbraw/zinc/37/81/63/309378163.db2.gz LXBUCIZVVSGZRN-IEBWSBKVSA-N 2 0 343.515 3.256 20 0 EGADRP Clc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000422958127 309378217 /nfs/dbraw/zinc/37/82/17/309378217.db2.gz ORKFGFFQIQPTDB-XYPWUTKMSA-N 2 0 334.891 3.261 20 0 EGADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCCC2)c1 ZINC000422967420 309378704 /nfs/dbraw/zinc/37/87/04/309378704.db2.gz TUJBJZNBANXCES-HCXYKTFWSA-N 2 0 331.504 3.317 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422969360 309379005 /nfs/dbraw/zinc/37/90/05/309379005.db2.gz UEHIHHGJEBXUPF-NQIIRXRSSA-N 3 0 329.532 3.396 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423012166 309380859 /nfs/dbraw/zinc/38/08/59/309380859.db2.gz KENREDGPNHFFJY-QRFRQXIXSA-N 2 0 341.474 3.343 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000423027891 309381838 /nfs/dbraw/zinc/38/18/38/309381838.db2.gz FKEIPTFYIBSELG-FEKWIAJESA-N 3 0 327.516 3.147 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423037149 309382327 /nfs/dbraw/zinc/38/23/27/309382327.db2.gz BEZGQEZAIWFBCC-VUCTXSBTSA-N 2 0 325.859 3.307 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000423046907 309382868 /nfs/dbraw/zinc/38/28/68/309382868.db2.gz FITOCZCBYHQIOY-DKICVRJWSA-N 2 0 326.488 3.191 20 0 EGADRP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000423046786 309382914 /nfs/dbraw/zinc/38/29/14/309382914.db2.gz FTCPSIDNRAMTQL-FCLJQHQZSA-N 2 0 341.421 3.181 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423055517 309383443 /nfs/dbraw/zinc/38/34/43/309383443.db2.gz WOBOMAZYMAYVBS-XHDPSFHLSA-N 2 0 336.277 3.408 20 0 EGADRP Fc1ccc(CCCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423059556 309383661 /nfs/dbraw/zinc/38/36/61/309383661.db2.gz FUJMRVVMZKBBTN-SLFFLAALSA-N 2 0 334.479 3.285 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423070680 309384225 /nfs/dbraw/zinc/38/42/25/309384225.db2.gz DEFPUCQNHLPJOH-VHFSOBRXSA-N 2 0 325.456 3.277 20 0 EGADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077201 309384671 /nfs/dbraw/zinc/38/46/71/309384671.db2.gz LNQUXYFMZRMTGG-BWUHRYBWSA-N 2 0 330.516 3.127 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F)CC[NH2+]CC1 ZINC000423078564 309384868 /nfs/dbraw/zinc/38/48/68/309384868.db2.gz WDYLOPZPRPASKG-STQMWFEESA-N 2 0 338.414 3.019 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090803 309385302 /nfs/dbraw/zinc/38/53/02/309385302.db2.gz WFROTACUFLIBBD-DZGCQCFKSA-N 2 0 340.309 3.135 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H](C)O1 ZINC000423100947 309386007 /nfs/dbraw/zinc/38/60/07/309386007.db2.gz NCKOQLXUGUTHIX-ZBCLNLFISA-N 2 0 330.472 3.036 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423119439 309386870 /nfs/dbraw/zinc/38/68/70/309386870.db2.gz CJCOALMUDBPFLT-VAMGGRTRSA-N 2 0 342.531 3.391 20 0 EGADRP COc1cccc(C2(C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)CC2)c1 ZINC000423130471 309387441 /nfs/dbraw/zinc/38/74/41/309387441.db2.gz YMSMCWQNTUVMLE-AWEZNQCLSA-N 2 0 325.456 3.240 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000423137043 309387859 /nfs/dbraw/zinc/38/78/59/309387859.db2.gz VZHXSOIKKLAZMW-FNFWKMNBSA-N 2 0 331.485 3.263 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000423137044 309387889 /nfs/dbraw/zinc/38/78/89/309387889.db2.gz VZHXSOIKKLAZMW-RRUGBERISA-N 2 0 331.485 3.263 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCCC(F)(F)C2)CC[NH2+]CC1 ZINC000423139208 309387948 /nfs/dbraw/zinc/38/79/48/309387948.db2.gz ZHSLUDZKXOTGJQ-HUUCEWRRSA-N 2 0 346.462 3.113 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193568 309389853 /nfs/dbraw/zinc/38/98/53/309389853.db2.gz WYZUOYZXAIXPEW-SESVDKBCSA-N 3 0 327.516 3.019 20 0 EGADRP C[NH2+]CCC[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423199656 309390071 /nfs/dbraw/zinc/39/00/71/309390071.db2.gz KITIQSWNVBCKSN-HNNXBMFYSA-N 2 0 331.485 3.395 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000423195037 309390133 /nfs/dbraw/zinc/39/01/33/309390133.db2.gz XHRQWOGFDFNITR-GHTZIAJQSA-N 2 0 337.467 3.205 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000423223995 309391197 /nfs/dbraw/zinc/39/11/97/309391197.db2.gz BFSXPVVETVOXOS-JRGKDQQJSA-N 3 0 327.516 3.289 20 0 EGADRP COc1ccc([C@H]([NH2+]CC[C@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000423225592 309391471 /nfs/dbraw/zinc/39/14/71/309391471.db2.gz NJQYREJZTWGDLC-XHDPSFHLSA-N 2 0 329.282 3.482 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423249976 309392345 /nfs/dbraw/zinc/39/23/45/309392345.db2.gz PSCVLTBKWQCQDV-CVEARBPZSA-N 2 0 332.492 3.211 20 0 EGADRP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CCCCC1 ZINC000423264302 309392958 /nfs/dbraw/zinc/39/29/58/309392958.db2.gz PUTJQNWSHNKWOI-YSFYHYPLSA-N 2 0 341.543 3.394 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423275642 309393607 /nfs/dbraw/zinc/39/36/07/309393607.db2.gz MBQQSAUGENGRNJ-WIYYLYMNSA-N 2 0 344.547 3.194 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000423279668 309393835 /nfs/dbraw/zinc/39/38/35/309393835.db2.gz SQINYCXZUWDWIK-BBRMVZONSA-N 2 0 343.309 3.362 20 0 EGADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423296643 309394310 /nfs/dbraw/zinc/39/43/10/309394310.db2.gz HESSMCNKZQRIGA-CVEARBPZSA-N 2 0 338.455 3.159 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000423307670 309394729 /nfs/dbraw/zinc/39/47/29/309394729.db2.gz NNLVHOWOCITCAS-MGPUTAFESA-N 2 0 339.483 3.301 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H](C)[NH3+] ZINC000423316618 309394887 /nfs/dbraw/zinc/39/48/87/309394887.db2.gz AFNKYXBUQFPLLH-XLIONFOSSA-N 2 0 345.531 3.154 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000423327098 309395342 /nfs/dbraw/zinc/39/53/42/309395342.db2.gz CVEGDRAFZOFHQX-SFHVURJKSA-N 2 0 325.456 3.413 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000423377045 309397725 /nfs/dbraw/zinc/39/77/25/309397725.db2.gz VPFPVSXYKSUTHK-GPCCPHFNSA-N 2 0 327.241 3.435 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000423389190 309398099 /nfs/dbraw/zinc/39/80/99/309398099.db2.gz LGBJLFMPECCKCF-ZDUSSCGKSA-N 2 0 341.293 3.116 20 0 EGADRP CCC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423390151 309398280 /nfs/dbraw/zinc/39/82/80/309398280.db2.gz OHPIGBGNTNGUHM-UONOGXRCSA-N 2 0 335.439 3.015 20 0 EGADRP COCC1(C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC[NH2+]CC1 ZINC000423404108 309398721 /nfs/dbraw/zinc/39/87/21/309398721.db2.gz ILXXTUCXACIOBN-LJQANCHMSA-N 2 0 341.499 3.460 20 0 EGADRP COCC1(C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC[NH2+]CC1 ZINC000423402276 309398800 /nfs/dbraw/zinc/39/88/00/309398800.db2.gz GYAMPSKDITZORA-SFHVURJKSA-N 2 0 332.488 3.123 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423407012 309398873 /nfs/dbraw/zinc/39/88/73/309398873.db2.gz LMKXLCDXEPGXBZ-JKSUJKDBSA-N 2 0 331.504 3.337 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc1 ZINC000423413295 309399353 /nfs/dbraw/zinc/39/93/53/309399353.db2.gz YRCRCZSPBHHDHK-HNNXBMFYSA-N 2 0 341.455 3.289 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc(OC)c1OC ZINC000423424271 309399943 /nfs/dbraw/zinc/39/99/43/309399943.db2.gz MXIWKMFEEAYQAG-RBSFLKMASA-N 2 0 336.476 3.128 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423475015 309401570 /nfs/dbraw/zinc/40/15/70/309401570.db2.gz ZPXORLMKEJMVJU-QHINFIMTSA-N 2 0 335.442 3.039 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCO1 ZINC000423539045 309405594 /nfs/dbraw/zinc/40/55/94/309405594.db2.gz ASDKDTVFMOOQRE-FPPGBKCQSA-N 2 0 348.918 3.408 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423546117 309405987 /nfs/dbraw/zinc/40/59/87/309405987.db2.gz KETLJINKQCNJBE-BEUFEYIVSA-N 2 0 332.463 3.271 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000423862443 309417206 /nfs/dbraw/zinc/41/72/06/309417206.db2.gz SGUVXFJQUYTVCL-HXUWFJFHSA-N 2 0 343.515 3.237 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424143448 309430616 /nfs/dbraw/zinc/43/06/16/309430616.db2.gz JTZWPRPKTBFYTQ-MOPGFXCFSA-N 2 0 337.552 3.255 20 0 EGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424187357 309432304 /nfs/dbraw/zinc/43/23/04/309432304.db2.gz ILNONFQRQVIGDF-QFBILLFUSA-N 2 0 337.552 3.253 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000424273134 309435631 /nfs/dbraw/zinc/43/56/31/309435631.db2.gz VZLFRLZLCJPZLK-UHFFFAOYSA-N 2 0 344.499 3.350 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1O ZINC000426417521 309506896 /nfs/dbraw/zinc/50/68/96/309506896.db2.gz BAZQJSLYGDOGNE-IAGOWNOFSA-N 2 0 334.504 3.434 20 0 EGADRP O=C(C[C@@H]1CCC[NH2+]CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000427266435 309526104 /nfs/dbraw/zinc/52/61/04/309526104.db2.gz SPBJMCXGZQOANP-LJQANCHMSA-N 2 0 343.515 3.433 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000430558544 309610910 /nfs/dbraw/zinc/61/09/10/309610910.db2.gz YWGBATDWRNOMFV-QGZVFWFLSA-N 2 0 331.504 3.260 20 0 EGADRP Cc1ccc(-c2noc(CCC[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)cc1F ZINC000430918920 309620974 /nfs/dbraw/zinc/62/09/74/309620974.db2.gz JBCFRIGHKVGMSN-CQSZACIVSA-N 2 0 346.450 3.176 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021718 309623541 /nfs/dbraw/zinc/62/35/41/309623541.db2.gz AYTIQWIJIRTOSN-MRXNPFEDSA-N 2 0 343.515 3.214 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000433116695 309679291 /nfs/dbraw/zinc/67/92/91/309679291.db2.gz MQRQOVIQBPLTNF-VQTJNVASSA-N 2 0 339.483 3.099 20 0 EGADRP CC(C)(C)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433119676 309679415 /nfs/dbraw/zinc/67/94/15/309679415.db2.gz HEXAOADPTQCKLH-IBGZPJMESA-N 2 0 331.504 3.093 20 0 EGADRP CCC[C@H](CCc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433130827 309679711 /nfs/dbraw/zinc/67/97/11/309679711.db2.gz BBAVWBBUFYUNMI-HXUWFJFHSA-N 2 0 345.531 3.107 20 0 EGADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443607085 309904473 /nfs/dbraw/zinc/90/44/73/309904473.db2.gz SLVKOWJWTOTNMF-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP O[C@H](C[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000449090907 310036357 /nfs/dbraw/zinc/03/63/57/310036357.db2.gz IDDZOBATPMEFNH-RBUKOAKNSA-N 2 0 334.891 3.322 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449106457 310037582 /nfs/dbraw/zinc/03/75/82/310037582.db2.gz MFTFYAQZTRHQAB-HNNXBMFYSA-N 2 0 330.451 3.048 20 0 EGADRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449231152 310046336 /nfs/dbraw/zinc/04/63/36/310046336.db2.gz NRCYKDRTLJCUEN-UHFFFAOYSA-N 2 0 330.451 3.048 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449905504 310093372 /nfs/dbraw/zinc/09/33/72/310093372.db2.gz FYVQZOSKSDSNPR-AZUAARDMSA-N 2 0 347.547 3.260 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000450370499 310118537 /nfs/dbraw/zinc/11/85/37/310118537.db2.gz YTUMMAGSOPNIOC-SFHVURJKSA-N 2 0 339.483 3.346 20 0 EGADRP CCCc1ccc2[nH+]ccc(N[C@H](C)CC[NH+]3CCN(C)CC3)c2c1 ZINC000450460534 310123891 /nfs/dbraw/zinc/12/38/91/310123891.db2.gz ORGBTYJLCOUWEA-QGZVFWFLSA-N 2 0 340.515 3.047 20 0 EGADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833628 310144831 /nfs/dbraw/zinc/14/48/31/310144831.db2.gz KLZSVKBCBYHYLQ-RTWAWAEBSA-N 2 0 330.516 3.319 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000453058132 310254836 /nfs/dbraw/zinc/25/48/36/310254836.db2.gz KAIGWVZXNPWJSI-MSOLQXFVSA-N 2 0 338.499 3.429 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)CO2 ZINC000453062857 310255362 /nfs/dbraw/zinc/25/53/62/310255362.db2.gz QSUBIILVXMPNBY-GOSISDBHSA-N 2 0 332.488 3.100 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092980 310257392 /nfs/dbraw/zinc/25/73/92/310257392.db2.gz ROWWQUXBWNTVFX-HLLBOEOZSA-N 2 0 330.501 3.452 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453107519 310258350 /nfs/dbraw/zinc/25/83/50/310258350.db2.gz LICKBTKQDCFJDT-VSKRKVRLSA-N 2 0 341.543 3.361 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453110569 310258715 /nfs/dbraw/zinc/25/87/15/310258715.db2.gz QKBPHSQRUVJJQV-YJMBLLCNSA-N 2 0 339.527 3.256 20 0 EGADRP C[C@H](CCCc1cccnc1)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000453125309 310259546 /nfs/dbraw/zinc/25/95/46/310259546.db2.gz OMFDIEGQRSCFKV-GOSISDBHSA-N 2 0 337.511 3.482 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453175783 310262454 /nfs/dbraw/zinc/26/24/54/310262454.db2.gz LSENVFOKCOUVBQ-OALUTQOASA-N 2 0 334.891 3.282 20 0 EGADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C[NH+](C)C ZINC000453225823 310265280 /nfs/dbraw/zinc/26/52/80/310265280.db2.gz CBVLDGLWLOAXHN-GFOJFJKKSA-N 2 0 329.532 3.217 20 0 EGADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000453374548 310273543 /nfs/dbraw/zinc/27/35/43/310273543.db2.gz OZNBIYPRQCPBLX-KJRRRBQDSA-N 2 0 328.500 3.300 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+]4CCC[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000453384676 310274136 /nfs/dbraw/zinc/27/41/36/310274136.db2.gz TWMMNHQECCHNED-LRSLUSHPSA-N 2 0 340.511 3.400 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000453387790 310274291 /nfs/dbraw/zinc/27/42/91/310274291.db2.gz BFRSFVPDAJCZPP-MRXNPFEDSA-N 2 0 329.488 3.338 20 0 EGADRP Cc1cnc(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000453419321 310276108 /nfs/dbraw/zinc/27/61/08/310276108.db2.gz YSRULKOUEZOPPK-UHFFFAOYSA-N 2 0 338.499 3.360 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000454244456 310299143 /nfs/dbraw/zinc/29/91/43/310299143.db2.gz GVWRDNKSUYQLFM-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000456266440 310395639 /nfs/dbraw/zinc/39/56/39/310395639.db2.gz IFXXDMSMRZPINA-NXEZDXNNSA-N 2 0 329.488 3.435 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000469187146 310701171 /nfs/dbraw/zinc/70/11/71/310701171.db2.gz HNSRZGPRNDECJQ-KRWDZBQOSA-N 2 0 348.535 3.099 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000479534257 310877248 /nfs/dbraw/zinc/87/72/48/310877248.db2.gz SUWQWWBPNBUPOE-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487013221 311006947 /nfs/dbraw/zinc/00/69/47/311006947.db2.gz CFVWZIZGTKQCDL-SJORKVTESA-N 2 0 343.515 3.131 20 0 EGADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c2ccccc21 ZINC000491169411 311166535 /nfs/dbraw/zinc/16/65/35/311166535.db2.gz BUDHVCVGVOBTTC-QFIPXVFZSA-N 2 0 347.462 3.308 20 0 EGADRP Fc1ccc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000491247137 311170134 /nfs/dbraw/zinc/17/01/34/311170134.db2.gz APJIAHVGPBGEIJ-KRWDZBQOSA-N 2 0 345.487 3.034 20 0 EGADRP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000491595792 311186190 /nfs/dbraw/zinc/18/61/90/311186190.db2.gz DNPCENLXICUCRT-LBPRGKRZSA-N 2 0 340.393 3.383 20 0 EGADRP O=C(C=Cc1c[nH]cn1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000492810289 311294174 /nfs/dbraw/zinc/29/41/74/311294174.db2.gz HXLFLHZYZFCPFE-IWAYRVGRSA-N 2 0 344.846 3.030 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000493905364 311443779 /nfs/dbraw/zinc/44/37/79/311443779.db2.gz HPGLYUHPEDJEQO-IBGZPJMESA-N 2 0 340.467 3.110 20 0 EGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495618139 311586750 /nfs/dbraw/zinc/58/67/50/311586750.db2.gz SIDYXYWGIFXKNR-ZDUSSCGKSA-N 2 0 339.524 3.141 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495819060 311616205 /nfs/dbraw/zinc/61/62/05/311616205.db2.gz UBZVGHGNLSOUMA-GTPINHCMSA-N 2 0 339.524 3.238 20 0 EGADRP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000496101280 311661705 /nfs/dbraw/zinc/66/17/05/311661705.db2.gz DINUSDFEDKRCMO-ZWKOTPCHSA-N 2 0 345.487 3.162 20 0 EGADRP C[C@H]1C[C@@H](C[NH2+]CCC[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000496827217 311771309 /nfs/dbraw/zinc/77/13/09/311771309.db2.gz JBBZZXMRWOYMMG-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP c1cc(C2CCC2)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000507216731 312063828 /nfs/dbraw/zinc/06/38/28/312063828.db2.gz VNAISKRKISGNHJ-UHFFFAOYSA-N 2 0 328.500 3.498 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000508878908 312104500 /nfs/dbraw/zinc/10/45/00/312104500.db2.gz OCONVWUASJRTJA-AVRDEDQJSA-N 2 0 341.543 3.412 20 0 EGADRP Cc1ccc(F)c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000512184308 312178205 /nfs/dbraw/zinc/17/82/05/312178205.db2.gz XHGXTQVCDJXEJL-IAGOWNOFSA-N 2 0 334.479 3.455 20 0 EGADRP CCC(C)(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000512279211 312181356 /nfs/dbraw/zinc/18/13/56/312181356.db2.gz LSKTXTVWUNKIDD-UHFFFAOYSA-N 2 0 345.531 3.196 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC4CCCCC4)CC3)C2)cc1 ZINC000512420170 312184805 /nfs/dbraw/zinc/18/48/05/312184805.db2.gz HXWFSPZKTUKTMX-QFIPXVFZSA-N 2 0 341.543 3.459 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+]CCC3CCCCCC3)cn2)CC1 ZINC000517782600 312393781 /nfs/dbraw/zinc/39/37/81/312393781.db2.gz SVNOMLMJAIOSMF-UHFFFAOYSA-N 2 0 330.520 3.284 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000533783327 313933437 /nfs/dbraw/zinc/93/34/37/313933437.db2.gz LJGVHWYWOZPCRF-QGZVFWFLSA-N 2 0 335.561 3.477 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N(CC)CC)nc2)[C@H](C)C1 ZINC000537455263 314182288 /nfs/dbraw/zinc/18/22/88/314182288.db2.gz BPROTGPKNGJDFC-MJGOQNOKSA-N 2 0 348.535 3.477 20 0 EGADRP OCc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000538761794 314273987 /nfs/dbraw/zinc/27/39/87/314273987.db2.gz CNPDWIOTGCYLKK-UHFFFAOYSA-N 2 0 340.467 3.260 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000539407563 314312180 /nfs/dbraw/zinc/31/21/80/314312180.db2.gz NKHKDRRIBVQZFQ-PXNSSMCTSA-N 2 0 334.504 3.231 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000539558248 314320411 /nfs/dbraw/zinc/32/04/11/314320411.db2.gz LYYNAYMJXVLLPH-LRDDRELGSA-N 2 0 331.287 3.440 20 0 EGADRP C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540120325 314363254 /nfs/dbraw/zinc/36/32/54/314363254.db2.gz GUIOUXPEWHVAQP-MRXNPFEDSA-N 2 0 346.446 3.496 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000544378893 314691103 /nfs/dbraw/zinc/69/11/03/314691103.db2.gz NRGBLLWCCQBDLU-INIZCTEOSA-N 2 0 325.541 3.027 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551788332 315168343 /nfs/dbraw/zinc/16/83/43/315168343.db2.gz CTBVZIHLUHNZAK-VQTJNVASSA-N 2 0 346.515 3.323 20 0 EGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554049779 315295398 /nfs/dbraw/zinc/29/53/98/315295398.db2.gz BRWGABWBATXZTA-FCHUYYIVSA-N 2 0 341.543 3.363 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000555618850 315394837 /nfs/dbraw/zinc/39/48/37/315394837.db2.gz QKYPZQPPVNJGGM-LJQANCHMSA-N 2 0 334.479 3.381 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000558101730 315550362 /nfs/dbraw/zinc/55/03/62/315550362.db2.gz IHWBNFQKZMHSNX-IBGZPJMESA-N 2 0 338.923 3.297 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)s1 ZINC000561763639 315781491 /nfs/dbraw/zinc/78/14/91/315781491.db2.gz OVRNBPHLWNXPMY-UHFFFAOYSA-N 2 0 333.501 3.380 20 0 EGADRP CCc1[nH+]c2ccccc2c(NC2CC[NH+](CCOC)CC2)c1C ZINC000562284268 315812234 /nfs/dbraw/zinc/81/22/34/315812234.db2.gz GNNZIKYKAZIBKE-UHFFFAOYSA-N 2 0 327.472 3.050 20 0 EGADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000563092905 315957562 /nfs/dbraw/zinc/95/75/62/315957562.db2.gz PDEFBNCISIHVNS-HKUYNNGSSA-N 2 0 329.488 3.171 20 0 EGADRP C[NH+](C)CC1(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CCCC1 ZINC000564872084 316223674 /nfs/dbraw/zinc/22/36/74/316223674.db2.gz FFUKZLBVZGCEHT-UHFFFAOYSA-N 2 0 339.430 3.005 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000565225998 316294224 /nfs/dbraw/zinc/29/42/24/316294224.db2.gz IMDKBQCEIWJNKS-DFQSSKMNSA-N 2 0 337.467 3.096 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)CC[NH2+]C(C)C)ccc21 ZINC000565831076 316376062 /nfs/dbraw/zinc/37/60/62/316376062.db2.gz RCMJWNCFJUEMCN-UHFFFAOYSA-N 2 0 344.503 3.310 20 0 EGADRP O=C(CC[NH2+]CC1CC[NH+](C2CC2)CC1)Nc1cccc(Cl)c1 ZINC000566125767 316422596 /nfs/dbraw/zinc/42/25/96/316422596.db2.gz WHDCROAVYZDITR-UHFFFAOYSA-N 2 0 335.879 3.133 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000566230074 316439470 /nfs/dbraw/zinc/43/94/70/316439470.db2.gz FPZYQYXKJXKRQV-HOTGVXAUSA-N 2 0 328.504 3.444 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000570044556 317000029 /nfs/dbraw/zinc/00/00/29/317000029.db2.gz QHEXJSFQQVFHHH-FQEVSTJZSA-N 2 0 347.572 3.403 20 0 EGADRP Clc1cccc(-n2ccnc2)c1CNC1CC[NH+](CC2CC2)CC1 ZINC000570276009 317032012 /nfs/dbraw/zinc/03/20/12/317032012.db2.gz ZSXPHKNEJPPNOU-UHFFFAOYSA-N 2 0 344.890 3.490 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)Cc3ccc(F)cc3)CC2)C1 ZINC000570312374 317038480 /nfs/dbraw/zinc/03/84/80/317038480.db2.gz OZDVYYLVZTZENG-TYCQWZJGSA-N 2 0 348.506 3.362 20 0 EGADRP COc1cc(F)c(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000571451803 317201582 /nfs/dbraw/zinc/20/15/82/317201582.db2.gz DKULWGFKAMOAFN-HNNXBMFYSA-N 2 0 338.467 3.445 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)C1 ZINC000572138662 317297249 /nfs/dbraw/zinc/29/72/49/317297249.db2.gz IHBUZCROGLFLPS-IEBWSBKVSA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000574424343 317597047 /nfs/dbraw/zinc/59/70/47/317597047.db2.gz RJHOPROSEGORGX-QUCCMNQESA-N 2 0 343.446 3.092 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000171305837 323229099 /nfs/dbraw/zinc/22/90/99/323229099.db2.gz HXLHBJREXBJNQA-IRXDYDNUSA-N 2 0 332.488 3.016 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177902928 323347965 /nfs/dbraw/zinc/34/79/65/323347965.db2.gz KVNMSQFZPDPWPK-WWGRRREGSA-N 2 0 330.394 3.403 20 0 EGADRP C[NH+](C)Cc1cc(-c2noc(C34CCC[NH+]3CCC4)n2)ccc1F ZINC000351203418 324195007 /nfs/dbraw/zinc/19/50/07/324195007.db2.gz CRQIVKYYICAIAF-UHFFFAOYSA-N 2 0 330.407 3.022 20 0 EGADRP C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000385534773 324262262 /nfs/dbraw/zinc/26/22/62/324262262.db2.gz BBEOSPXYCDVFFL-WTNAPCKOSA-N 2 0 338.495 3.218 20 0 EGADRP CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388579004 324276350 /nfs/dbraw/zinc/27/63/50/324276350.db2.gz FNVUXBSUYBQZDQ-XUVXKRRUSA-N 2 0 343.515 3.017 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000518833430 324390451 /nfs/dbraw/zinc/39/04/51/324390451.db2.gz SREOOWQEDIJNLU-PMACEKPBSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)Cc1ncc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000579094744 325061276 /nfs/dbraw/zinc/06/12/76/325061276.db2.gz IULQRAWDWQNILK-NVXWUHKLSA-N 2 0 337.533 3.060 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000579567816 325128667 /nfs/dbraw/zinc/12/86/67/325128667.db2.gz OEACVWUKGHEXTG-WMQCIHAUSA-N 2 0 327.516 3.102 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000579824598 325163410 /nfs/dbraw/zinc/16/34/10/325163410.db2.gz OBJLLUOSOWQFMX-JXFKEZNVSA-N 2 0 328.500 3.309 20 0 EGADRP CCC(C)(C)C1CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000580184586 325214536 /nfs/dbraw/zinc/21/45/36/325214536.db2.gz IZFCGSHDJNAOLW-UHFFFAOYSA-N 2 0 333.524 3.356 20 0 EGADRP c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000580406059 325245290 /nfs/dbraw/zinc/24/52/90/325245290.db2.gz MEXAYAZUUQYLTJ-NRFANRHFSA-N 2 0 327.516 3.343 20 0 EGADRP c1cncc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](c4cccnc4)C3)C2)c1 ZINC000580427792 325248901 /nfs/dbraw/zinc/24/89/01/325248901.db2.gz PJCCTMHXQAQJDM-NHCUHLMSSA-N 2 0 336.483 3.146 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)CC2)CC1 ZINC000580927621 325309652 /nfs/dbraw/zinc/30/96/52/325309652.db2.gz UWEHHDAASVBELK-NHCUHLMSSA-N 2 0 349.563 3.017 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)CCC2 ZINC000581548998 325371010 /nfs/dbraw/zinc/37/10/10/325371010.db2.gz JYKMMXMHZABTLN-INIZCTEOSA-N 2 0 342.439 3.391 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000582008435 325406405 /nfs/dbraw/zinc/40/64/05/325406405.db2.gz MWUPUJJWQCDBPS-INIZCTEOSA-N 2 0 339.483 3.078 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428860514 458224992 /nfs/dbraw/zinc/22/49/92/458224992.db2.gz LQORWRZEOFQAQE-LBPRGKRZSA-N 2 0 336.423 3.093 20 0 EGADRP [NH3+]CCCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237987510 455241741 /nfs/dbraw/zinc/24/17/41/455241741.db2.gz YEIMAGGDMCGXKD-IBGZPJMESA-N 2 0 331.504 3.067 20 0 EGADRP [NH3+]CCCCCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000237990731 455242089 /nfs/dbraw/zinc/24/20/89/455242089.db2.gz QGLUAXWGZOLURW-UHFFFAOYSA-N 2 0 331.504 3.198 20 0 EGADRP [NH3+]CCCCCCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000238004520 455243216 /nfs/dbraw/zinc/24/32/16/455243216.db2.gz UYNQRTDTKCYPKJ-UHFFFAOYSA-N 2 0 349.544 3.126 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000264693353 455264636 /nfs/dbraw/zinc/26/46/36/455264636.db2.gz FHZPOFIFUXTXBO-ZWKOTPCHSA-N 2 0 345.531 3.134 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000021008672 453670928 /nfs/dbraw/zinc/67/09/28/453670928.db2.gz NIWVHAUSUALZLL-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOC(C)C)CC1 ZINC000181628300 455365338 /nfs/dbraw/zinc/36/53/38/455365338.db2.gz QAICFXWLLWDOAW-MRXNPFEDSA-N 2 0 337.483 3.043 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc3ncccc3c2)C[C@@H](C)O1 ZINC000067453156 453932070 /nfs/dbraw/zinc/93/20/70/453932070.db2.gz LLTABRMPFKUBAZ-IAGOWNOFSA-N 2 0 327.472 3.214 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1OC(F)F ZINC000067507254 453936774 /nfs/dbraw/zinc/93/67/74/453936774.db2.gz CEGJSIREMRPRGK-CQSZACIVSA-N 2 0 328.403 3.117 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)o1 ZINC000042475599 454010673 /nfs/dbraw/zinc/01/06/73/454010673.db2.gz SYOCWDGXDVUGLN-MRXNPFEDSA-N 2 0 349.500 3.216 20 0 EGADRP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524086 454064441 /nfs/dbraw/zinc/06/44/41/454064441.db2.gz HODATJSKSLKPDS-SJORKVTESA-N 2 0 343.515 3.016 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523246 454064775 /nfs/dbraw/zinc/06/47/75/454064775.db2.gz UVBGNDYGAKGOJT-MRXNPFEDSA-N 2 0 331.504 3.240 20 0 EGADRP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000056525145 454065005 /nfs/dbraw/zinc/06/50/05/454065005.db2.gz KVRNBPIUZFGGGM-SFHVURJKSA-N 2 0 345.531 3.144 20 0 EGADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056525151 454065268 /nfs/dbraw/zinc/06/52/68/454065268.db2.gz QUUDCSXQHBFHRY-QGZVFWFLSA-N 2 0 331.504 3.092 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215039 454127159 /nfs/dbraw/zinc/12/71/59/454127159.db2.gz QESAEVUPAMXWBG-FQEVSTJZSA-N 2 0 339.483 3.145 20 0 EGADRP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245946718 455405851 /nfs/dbraw/zinc/40/58/51/455405851.db2.gz AFADYRSMETZLMI-QZTJIDSGSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246045172 455417671 /nfs/dbraw/zinc/41/76/71/455417671.db2.gz XNWJQYQBKCFOPE-SJORKVTESA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510714 454157338 /nfs/dbraw/zinc/15/73/38/454157338.db2.gz ODHWJNYIKMVRQV-UWVAXJGDSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728344 454184112 /nfs/dbraw/zinc/18/41/12/454184112.db2.gz LRQBCJIKZYFKAG-WWGRRREGSA-N 2 0 348.878 3.251 20 0 EGADRP Cc1ccc(-c2ccc(C[NH2+]CCCC[NH+]3CCN(C)CC3)o2)cc1 ZINC000119624271 454209088 /nfs/dbraw/zinc/20/90/88/454209088.db2.gz POMJMKARVPQWOI-UHFFFAOYSA-N 2 0 341.499 3.372 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOC2CCCCCC2)[C@H](C)C1 ZINC000131567624 454264955 /nfs/dbraw/zinc/26/49/55/454264955.db2.gz UKKYXDAFOQSMNV-QUCCMNQESA-N 2 0 340.552 3.452 20 0 EGADRP Clc1ccc(O[C@@H]2CC[N@H+](CCn3ccnc3)C2)cc1Cl ZINC000131716355 454278381 /nfs/dbraw/zinc/27/83/81/454278381.db2.gz MNOUEIPGGURJEF-CYBMUJFWSA-N 2 0 326.227 3.343 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000078637956 454290027 /nfs/dbraw/zinc/29/00/27/454290027.db2.gz MIMNFPDMLAKHMH-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000090586601 454324219 /nfs/dbraw/zinc/32/42/19/454324219.db2.gz PQNXFRXRBZMXFY-INIZCTEOSA-N 2 0 336.549 3.070 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)ccn1 ZINC000090936957 454351809 /nfs/dbraw/zinc/35/18/09/454351809.db2.gz LBEAEYHSUSAECE-SFHVURJKSA-N 2 0 345.874 3.453 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000133092581 454391444 /nfs/dbraw/zinc/39/14/44/454391444.db2.gz DYAQTTNFDFNCCW-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000121183599 454403581 /nfs/dbraw/zinc/40/35/81/454403581.db2.gz UEUSXYKLVHJAMD-KXBFYZLASA-N 2 0 339.474 3.279 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091285169 454423378 /nfs/dbraw/zinc/42/33/78/454423378.db2.gz HUZOXAWBVWSLLA-NRFANRHFSA-N 2 0 329.532 3.453 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000121382124 454428153 /nfs/dbraw/zinc/42/81/53/454428153.db2.gz WBZYZQKMXHIOIK-MSOLQXFVSA-N 2 0 333.520 3.010 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000121379979 454428827 /nfs/dbraw/zinc/42/88/27/454428827.db2.gz RPMOEQJTAGHROM-SJORKVTESA-N 2 0 329.488 3.357 20 0 EGADRP CN(c1ccccc1C[NH2+]CCc1nccs1)C1CC[NH+](C)CC1 ZINC000133483033 454430466 /nfs/dbraw/zinc/43/04/66/454430466.db2.gz UNGBRTASNSKCPV-UHFFFAOYSA-N 2 0 344.528 3.006 20 0 EGADRP c1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc2ccccn12 ZINC000121817323 454481023 /nfs/dbraw/zinc/48/10/23/454481023.db2.gz MCZNVCYMGNKUST-UHFFFAOYSA-N 2 0 326.488 3.422 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000634997367 460644416 /nfs/dbraw/zinc/64/44/16/460644416.db2.gz JSWWUQFGRPXDSW-LFFLFIJJSA-N 2 0 335.289 3.207 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123403136 454632846 /nfs/dbraw/zinc/63/28/46/454632846.db2.gz SHPRLOTZKBSUKD-UXHICEINSA-N 2 0 329.532 3.184 20 0 EGADRP CCCOc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2C)cc1OC ZINC000105443154 454639490 /nfs/dbraw/zinc/63/94/90/454639490.db2.gz CPVAHKLJAQAIFT-HNNXBMFYSA-N 2 0 331.460 3.415 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(C(=O)OC)c2)CC1 ZINC000052208744 454661666 /nfs/dbraw/zinc/66/16/66/454661666.db2.gz CVRVLAFRIMPFOA-UHFFFAOYSA-N 2 0 332.488 3.417 20 0 EGADRP C[NH+](C)C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000635002860 460647019 /nfs/dbraw/zinc/64/70/19/460647019.db2.gz ALXWWWZBKLKDQZ-OAGGEKHMSA-N 2 0 329.410 3.168 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000081023306 454672848 /nfs/dbraw/zinc/67/28/48/454672848.db2.gz IFYZXLRTSGDPSV-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000075007973 454673626 /nfs/dbraw/zinc/67/36/26/454673626.db2.gz JYPOOCYJVWQUAR-UHFFFAOYSA-N 2 0 349.519 3.030 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)C1CC1 ZINC000135964161 454711890 /nfs/dbraw/zinc/71/18/90/454711890.db2.gz AMEYPZSHLDFGMD-KRWDZBQOSA-N 2 0 343.515 3.162 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124365656 454723518 /nfs/dbraw/zinc/72/35/18/454723518.db2.gz GANVJFPSUKSDEO-FQEVSTJZSA-N 2 0 345.531 3.072 20 0 EGADRP c1ccc([C@H]2C[C@H]2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735049 454731972 /nfs/dbraw/zinc/73/19/72/454731972.db2.gz DPDSVRVNRBKIPA-PZJWPPBQSA-N 2 0 328.500 3.367 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124472552 454737629 /nfs/dbraw/zinc/73/76/29/454737629.db2.gz WLYBIYHYAHAVIZ-QZTJIDSGSA-N 2 0 347.547 3.050 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124528847 454744747 /nfs/dbraw/zinc/74/47/47/454744747.db2.gz RZMJZUSEYDYZHB-QGZVFWFLSA-N 2 0 333.520 3.010 20 0 EGADRP CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000107368942 454754011 /nfs/dbraw/zinc/75/40/11/454754011.db2.gz ULYOHQSADLQDSF-MRXNPFEDSA-N 2 0 342.314 3.205 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@@H+]1C ZINC000153027407 454754115 /nfs/dbraw/zinc/75/41/15/454754115.db2.gz WGIBINUPBJKMOQ-HOTGVXAUSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccccc1OC(F)(F)F ZINC000153136951 454763433 /nfs/dbraw/zinc/76/34/33/454763433.db2.gz XZPWTOQPNWTHEN-UONOGXRCSA-N 2 0 346.393 3.204 20 0 EGADRP Cc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c2cc(F)ccc2[nH+]1 ZINC000124736183 454765843 /nfs/dbraw/zinc/76/58/43/454765843.db2.gz LGHRQVGXZBRRIG-OAHLLOKOSA-N 2 0 345.462 3.211 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000162491733 454778775 /nfs/dbraw/zinc/77/87/75/454778775.db2.gz MQCBBLZDCLRELD-ZDUSSCGKSA-N 2 0 330.303 3.282 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000163457069 454849123 /nfs/dbraw/zinc/84/91/23/454849123.db2.gz MSHSSNRPVDTJBF-MRXNPFEDSA-N 2 0 329.488 3.389 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163530641 454853855 /nfs/dbraw/zinc/85/38/55/454853855.db2.gz YDBASNLVSZTORK-QGZVFWFLSA-N 2 0 345.531 3.272 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000111042210 454856286 /nfs/dbraw/zinc/85/62/86/454856286.db2.gz TVWLXNFICKHAHN-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000126011812 454863606 /nfs/dbraw/zinc/86/36/06/454863606.db2.gz NPBVDPSGUWROTM-CRAIPNDOSA-N 2 0 329.492 3.284 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000154309335 454884024 /nfs/dbraw/zinc/88/40/24/454884024.db2.gz IMPBBGLOQAKUNI-NRFANRHFSA-N 2 0 331.548 3.261 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccsc2S1 ZINC000154370564 454889995 /nfs/dbraw/zinc/88/99/95/454889995.db2.gz NJGHUVYZHTXFGY-HOCLYGCPSA-N 2 0 339.574 3.291 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165360950 454898528 /nfs/dbraw/zinc/89/85/28/454898528.db2.gz IOIZYPXEJMNHHY-OXQOHEQNSA-N 2 0 333.495 3.110 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(F)cc1F ZINC000154502183 454902340 /nfs/dbraw/zinc/90/23/40/454902340.db2.gz UFZNKDYODZKROT-LJQANCHMSA-N 2 0 339.474 3.423 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccccc1OC ZINC000154532856 454904967 /nfs/dbraw/zinc/90/49/67/454904967.db2.gz LVCJKDZJCJCTJZ-LJQANCHMSA-N 2 0 333.520 3.154 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)[NH3+] ZINC000166288634 454909439 /nfs/dbraw/zinc/90/94/39/454909439.db2.gz DKJADNGPNIVTBN-GFCCVEGCSA-N 2 0 346.302 3.011 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000177838013 454912225 /nfs/dbraw/zinc/91/22/25/454912225.db2.gz FILFSDYBMQZJOK-VKJFTORMSA-N 2 0 341.455 3.350 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126779069 454917693 /nfs/dbraw/zinc/91/76/93/454917693.db2.gz CFYKILYZZYIVOB-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178037975 454928674 /nfs/dbraw/zinc/92/86/74/454928674.db2.gz ZAXROGBYEAVTIQ-HZSPNIEDSA-N 2 0 325.522 3.300 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CSCCc3ccccc32)C[C@@H](C)O1 ZINC000178039609 454929753 /nfs/dbraw/zinc/92/97/53/454929753.db2.gz KAPDSUHAWGLRGJ-MBOZVWFJSA-N 2 0 348.556 3.496 20 0 EGADRP COc1ncccc1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151148855 454944950 /nfs/dbraw/zinc/94/49/50/454944950.db2.gz CYKXGZNHYCITPI-UHFFFAOYSA-N 2 0 343.446 3.026 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CC2CCCCC2)C2CC2)CC1 ZINC000114455460 454955578 /nfs/dbraw/zinc/95/55/78/454955578.db2.gz IUDBNEHUVCCVOV-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155065940 454959863 /nfs/dbraw/zinc/95/98/63/454959863.db2.gz DCQWDFKWUNQQIX-KGLIPLIRSA-N 2 0 338.565 3.036 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127586532 454979247 /nfs/dbraw/zinc/97/92/47/454979247.db2.gz FKJOOLMXRJVKAN-ROUUACIJSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@H]([NH2+]CCOc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000155244275 454979294 /nfs/dbraw/zinc/97/92/94/454979294.db2.gz ZVHXVBDDEJBPAF-KRWDZBQOSA-N 2 0 328.456 3.357 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000155692641 455032912 /nfs/dbraw/zinc/03/29/12/455032912.db2.gz FUKIPJCJMVDSLI-QZTJIDSGSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000128231611 455037133 /nfs/dbraw/zinc/03/71/33/455037133.db2.gz QKNYYNKDUGHECM-OAHLLOKOSA-N 2 0 331.435 3.054 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000152133574 455076978 /nfs/dbraw/zinc/07/69/78/455076978.db2.gz RLXXHGGZYSUQET-UHFFFAOYSA-N 2 0 338.442 3.084 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095696 455081475 /nfs/dbraw/zinc/08/14/75/455081475.db2.gz KDSFDDPIQAZVCZ-WBMJQRKESA-N 2 0 339.277 3.071 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@H](C)C1 ZINC000152409677 455114294 /nfs/dbraw/zinc/11/42/94/455114294.db2.gz DPZMTJUVWRMTIK-QUCCMNQESA-N 2 0 330.516 3.363 20 0 EGADRP C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156659162 455142081 /nfs/dbraw/zinc/14/20/81/455142081.db2.gz WQZDRAABOKAION-ROUUACIJSA-N 2 0 333.520 3.010 20 0 EGADRP CC1(C)[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@H]2CCO[C@@H]21 ZINC000180167212 455143579 /nfs/dbraw/zinc/14/35/79/455143579.db2.gz LGWGMPBKMLWYLR-ZJKGHYPUSA-N 2 0 340.511 3.300 20 0 EGADRP CC(C)CC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156933916 455157842 /nfs/dbraw/zinc/15/78/42/455157842.db2.gz JSLXWKGUQYZPAX-XLIONFOSSA-N 2 0 345.531 3.298 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H](C)C2 ZINC000180452978 455172777 /nfs/dbraw/zinc/17/27/77/455172777.db2.gz BYBHXMKKGJCCTM-UTKZUKDTSA-N 2 0 329.532 3.092 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCCOc2cccc3cccnc32)CC1 ZINC000180457571 455173889 /nfs/dbraw/zinc/17/38/89/455173889.db2.gz YABLRZGAVMPSOX-UHFFFAOYSA-N 2 0 327.472 3.466 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000180464774 455174194 /nfs/dbraw/zinc/17/41/94/455174194.db2.gz LALTZILJWJNZIV-HKUYNNGSSA-N 2 0 335.561 3.029 20 0 EGADRP Cc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180497175 455182843 /nfs/dbraw/zinc/18/28/43/455182843.db2.gz GFTKKTSQOLHBDP-UGKGYDQZSA-N 2 0 337.511 3.310 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623657079 460666089 /nfs/dbraw/zinc/66/60/89/460666089.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 2 0 329.532 3.361 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000623657234 460666152 /nfs/dbraw/zinc/66/61/52/460666152.db2.gz LUWAGGQQJICRSE-KRWDZBQOSA-N 2 0 326.488 3.217 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(O)cc3)cc2)C[C@H](C)O1 ZINC000237634458 455200967 /nfs/dbraw/zinc/20/09/67/455200967.db2.gz SWRIJBHLPBIMNZ-CALCHBBNSA-N 2 0 340.467 3.291 20 0 EGADRP COCCCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264393404 455204495 /nfs/dbraw/zinc/20/44/95/455204495.db2.gz SRQHCAJZBQUWLP-NRFANRHFSA-N 2 0 348.531 3.181 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000180642401 455216221 /nfs/dbraw/zinc/21/62/21/455216221.db2.gz CLBBOOIBBSFUEM-QRWLVFNGSA-N 2 0 328.431 3.243 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417390 455293037 /nfs/dbraw/zinc/29/30/37/455293037.db2.gz FZROQMUBOQBNLU-CVEARBPZSA-N 2 0 349.544 3.399 20 0 EGADRP CC(C)c1cnc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000183564835 455306698 /nfs/dbraw/zinc/30/66/98/455306698.db2.gz JRZLKPKOYJXCJV-GASCZTMLSA-N 2 0 325.522 3.246 20 0 EGADRP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000245478348 455310609 /nfs/dbraw/zinc/31/06/09/455310609.db2.gz VJMOVUBXYSAYLG-PXNSSMCTSA-N 2 0 343.515 3.160 20 0 EGADRP CC[C@@H](CSC)[N@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000245630433 455344394 /nfs/dbraw/zinc/34/43/94/455344394.db2.gz ZUTUYJUSSSVJGB-JKSUJKDBSA-N 2 0 335.517 3.087 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)[NH+]1CCCCC1 ZINC000184512127 455394126 /nfs/dbraw/zinc/39/41/26/455394126.db2.gz CKJSHKPBHCUNBM-IRXDYDNUSA-N 2 0 327.476 3.182 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245914199 455397982 /nfs/dbraw/zinc/39/79/82/455397982.db2.gz GEXIHEOEHWKLBY-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP CC[N@@H+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)C(C)C1 ZINC000246173580 455441512 /nfs/dbraw/zinc/44/15/12/455441512.db2.gz MRJXDMLBHGRBJC-XJKSGUPXSA-N 2 0 330.394 3.448 20 0 EGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000246194260 455445906 /nfs/dbraw/zinc/44/59/06/455445906.db2.gz LWMURBWDFFTNOM-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1)C(C)C ZINC000246338752 455473047 /nfs/dbraw/zinc/47/30/47/455473047.db2.gz FDJAJFDRDQFBBN-APWZRJJASA-N 2 0 343.515 3.272 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000191502179 455492220 /nfs/dbraw/zinc/49/22/20/455492220.db2.gz VQWCXTMNLSWTEN-QUCCMNQESA-N 2 0 347.522 3.420 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000246837407 455529049 /nfs/dbraw/zinc/52/90/49/455529049.db2.gz ASTCOJCONVHXSV-BLLLJJGKSA-N 2 0 343.284 3.451 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246837674 455529418 /nfs/dbraw/zinc/52/94/18/455529418.db2.gz OONSCMPWWAHJJJ-ORZNMBHWSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(N2CCOC2=O)c1 ZINC000246874104 455532274 /nfs/dbraw/zinc/53/22/74/455532274.db2.gz DDAJKIVSXBMRNT-BHYGNILZSA-N 2 0 331.460 3.167 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000246886203 455533844 /nfs/dbraw/zinc/53/38/44/455533844.db2.gz IMTIETYFXFUOMN-WOJBJXKFSA-N 2 0 343.515 3.019 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247053254 455552010 /nfs/dbraw/zinc/55/20/10/455552010.db2.gz NJVOMQKRCJZLQT-WSTZPKSXSA-N 2 0 347.547 3.226 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000267894996 455561570 /nfs/dbraw/zinc/56/15/70/455561570.db2.gz JYEIUQMKIFMITN-NRFANRHFSA-N 2 0 348.531 3.008 20 0 EGADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247207394 455573415 /nfs/dbraw/zinc/57/34/15/455573415.db2.gz WSCGZMRVLHMQJT-RLFYNMQTSA-N 2 0 332.492 3.035 20 0 EGADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247207381 455573582 /nfs/dbraw/zinc/57/35/82/455573582.db2.gz WSCGZMRVLHMQJT-HDMKZQKVSA-N 2 0 332.492 3.035 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245895 455577867 /nfs/dbraw/zinc/57/78/67/455577867.db2.gz ZGAUGDQTOKQJIA-PXNSSMCTSA-N 2 0 329.532 3.143 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000601021576 460679430 /nfs/dbraw/zinc/67/94/30/460679430.db2.gz DUSPGZXMSCIBAJ-RLLQIKCJSA-N 2 0 345.531 3.352 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1sccc1C[NH+](C)C)CC(C)C ZINC000268116998 455593992 /nfs/dbraw/zinc/59/39/92/455593992.db2.gz NDXXMDSCCFIFSJ-INIZCTEOSA-N 2 0 339.549 3.296 20 0 EGADRP CC(=O)Nc1cccc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185693353 455598462 /nfs/dbraw/zinc/59/84/62/455598462.db2.gz GCZPSMNQYXNVPT-MAUKXSAKSA-N 2 0 329.488 3.388 20 0 EGADRP C[C@H]1CCC[C@](CNC(=O)c2sccc2C[NH+](C)C)([NH+](C)C)C1 ZINC000268178965 455611264 /nfs/dbraw/zinc/61/12/64/455611264.db2.gz WEDQCHZLILYUPV-KSSFIOAISA-N 2 0 337.533 3.050 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000185875479 455639943 /nfs/dbraw/zinc/63/99/43/455639943.db2.gz WWYNWNDZQHQZFP-SFHVURJKSA-N 2 0 345.531 3.124 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000185872681 455640080 /nfs/dbraw/zinc/64/00/80/455640080.db2.gz PLOLNIOWNQJJDJ-CYBMUJFWSA-N 2 0 330.303 3.109 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1cccc(OCC(F)(F)F)c1)C2 ZINC000192675771 455667103 /nfs/dbraw/zinc/66/71/03/455667103.db2.gz VLKPJVRWIHDGIK-GOOCMWNKSA-N 2 0 328.378 3.343 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000271520759 455670260 /nfs/dbraw/zinc/67/02/60/455670260.db2.gz PLWSBZUZPIQVTL-GDIGMMSISA-N 2 0 334.529 3.437 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCCCC1 ZINC000248033599 455673298 /nfs/dbraw/zinc/67/32/98/455673298.db2.gz RAFLFTDTDULYNF-AZUAARDMSA-N 2 0 344.547 3.146 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192717162 455677110 /nfs/dbraw/zinc/67/71/10/455677110.db2.gz KBFSOHINBLSMCP-MRXNPFEDSA-N 2 0 339.474 3.374 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000248119500 455682531 /nfs/dbraw/zinc/68/25/31/455682531.db2.gz NEMGJQOPHGJTDC-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP CC1(C)CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248149382 455688517 /nfs/dbraw/zinc/68/85/17/455688517.db2.gz QOHUUXRALSEJHD-RTBURBONSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000284472680 455692207 /nfs/dbraw/zinc/69/22/07/455692207.db2.gz UMDKMHHFDZUAKO-RTWAWAEBSA-N 2 0 330.516 3.143 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@]2(C)Cc2ccccc2)CC1 ZINC000192800727 455696184 /nfs/dbraw/zinc/69/61/84/455696184.db2.gz FDSNUSBKMFBJHA-JOCHJYFZSA-N 2 0 343.559 3.500 20 0 EGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635137854 460686710 /nfs/dbraw/zinc/68/67/10/460686710.db2.gz DDOOHXCEHVWUTI-IRXDYDNUSA-N 2 0 347.528 3.018 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000271632206 455705330 /nfs/dbraw/zinc/70/53/30/455705330.db2.gz CYHMYNXZLMTMQX-INIZCTEOSA-N 2 0 343.298 3.491 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000271701561 455726711 /nfs/dbraw/zinc/72/67/11/455726711.db2.gz LPBOJOCYLFFJMU-XYJFISCASA-N 2 0 349.494 3.186 20 0 EGADRP Cc1c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cnn1C ZINC000268908114 455727007 /nfs/dbraw/zinc/72/70/07/455727007.db2.gz MOQHCLIDPGJASS-UHFFFAOYSA-N 2 0 326.488 3.073 20 0 EGADRP CC(C)c1nc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cs1 ZINC000186320599 455742008 /nfs/dbraw/zinc/74/20/08/455742008.db2.gz PVJVCXYPDLPYAA-HNNXBMFYSA-N 2 0 338.565 3.191 20 0 EGADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268954015 455742989 /nfs/dbraw/zinc/74/29/89/455742989.db2.gz CYSZAYMIQFQNEO-AWEZNQCLSA-N 2 0 344.421 3.073 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCc3c(O)cccc32)C[C@H](C)O1 ZINC000284858634 455753097 /nfs/dbraw/zinc/75/30/97/455753097.db2.gz ALDCTJTXITXUKA-JTDSTZFVSA-N 2 0 332.488 3.249 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000269021938 455765519 /nfs/dbraw/zinc/76/55/19/455765519.db2.gz PWLYGTYCMBFTRM-CHWSQXEVSA-N 2 0 345.409 3.352 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000271829327 455778377 /nfs/dbraw/zinc/77/83/77/455778377.db2.gz RLBSPPUYHCIWOR-DOTOQJQBSA-N 2 0 331.460 3.168 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000285076263 455786225 /nfs/dbraw/zinc/78/62/25/455786225.db2.gz KMBQXPUTFAWVDA-DXJOGWAWSA-N 2 0 349.906 3.074 20 0 EGADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1F ZINC000194043035 455795129 /nfs/dbraw/zinc/79/51/29/455795129.db2.gz ADURGIYCKXJDCZ-NZSAHSFTSA-N 2 0 332.463 3.325 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000186567732 455796305 /nfs/dbraw/zinc/79/63/05/455796305.db2.gz VRRSOLPRVDMMSD-CABCVRRESA-N 2 0 343.437 3.382 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)oc21 ZINC000186580469 455797899 /nfs/dbraw/zinc/79/78/99/455797899.db2.gz NRTDTSYPEPBAAO-HZPDHXFCSA-N 2 0 345.487 3.118 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000269142730 455798307 /nfs/dbraw/zinc/79/83/07/455798307.db2.gz MYXQZOGHQOGQIV-UHFFFAOYSA-N 2 0 339.483 3.074 20 0 EGADRP Clc1csc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000194417639 455839246 /nfs/dbraw/zinc/83/92/46/455839246.db2.gz URRDQNBEGPYHEM-UHFFFAOYSA-N 2 0 328.909 3.478 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000272195691 455873026 /nfs/dbraw/zinc/87/30/26/455873026.db2.gz OJGSAEYHRQPJCC-QGZVFWFLSA-N 2 0 345.531 3.331 20 0 EGADRP Cc1ccc2ncc(C[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)n2c1 ZINC000270195480 455899008 /nfs/dbraw/zinc/89/90/08/455899008.db2.gz YGUQFLNNKFZQTK-LFVRLGFBSA-N 2 0 327.453 3.231 20 0 EGADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000258919300 455899482 /nfs/dbraw/zinc/89/94/82/455899482.db2.gz FYVFWTVSZDSNIJ-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000261655738 455922386 /nfs/dbraw/zinc/92/23/86/455922386.db2.gz FLWKBRGNTZNOMB-OAQYLSRUSA-N 2 0 347.466 3.105 20 0 EGADRP COc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)C2CC2)c(OC)c1 ZINC000261768613 455944939 /nfs/dbraw/zinc/94/49/39/455944939.db2.gz DOJGLKTUHCRGMX-HNNXBMFYSA-N 2 0 332.488 3.304 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000187746532 455946912 /nfs/dbraw/zinc/94/69/12/455946912.db2.gz NNYXJJROKHKFCU-BHIFYINESA-N 2 0 343.559 3.358 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000272436954 455950528 /nfs/dbraw/zinc/95/05/28/455950528.db2.gz OARXCYVVTAPSDN-UHFFFAOYSA-N 2 0 346.421 3.101 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1-n1ccnn1 ZINC000285987155 455954746 /nfs/dbraw/zinc/95/47/46/455954746.db2.gz HXZCQIWZAQMDHZ-OAHLLOKOSA-N 2 0 327.476 3.181 20 0 EGADRP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)n2)c1 ZINC000261852897 455959415 /nfs/dbraw/zinc/95/94/15/455959415.db2.gz VQRIUJYBLDUSKC-MRXNPFEDSA-N 2 0 344.434 3.055 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000261920512 455972007 /nfs/dbraw/zinc/97/20/07/455972007.db2.gz KKDOMLKZYQEFAY-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187962159 455973083 /nfs/dbraw/zinc/97/30/83/455973083.db2.gz SXMSZNUPSMPGGJ-FCHUYYIVSA-N 2 0 343.559 3.360 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[NH+]1CCCCC1 ZINC000286078298 455973794 /nfs/dbraw/zinc/97/37/94/455973794.db2.gz LJMRPIGXMRVYCL-SJORKVTESA-N 2 0 327.476 3.182 20 0 EGADRP CCn1nc(C)c(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000296563990 455974383 /nfs/dbraw/zinc/97/43/83/455974383.db2.gz VKPZWCDPDLXFJU-MRXNPFEDSA-N 2 0 341.503 3.128 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)cc1)C1CC1 ZINC000262062595 455991810 /nfs/dbraw/zinc/99/18/10/455991810.db2.gz ODUUNKOBUZMXBS-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262096688 455996623 /nfs/dbraw/zinc/99/66/23/455996623.db2.gz DPCILXPREVTPHM-FRQCXROJSA-N 2 0 331.504 3.051 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262147987 456004433 /nfs/dbraw/zinc/00/44/33/456004433.db2.gz QSCVHLOKWGODSO-LLGFUMIMSA-N 2 0 345.531 3.298 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000262147982 456004631 /nfs/dbraw/zinc/00/46/31/456004631.db2.gz QSCVHLOKWGODSO-FIKGOQFSSA-N 2 0 345.531 3.298 20 0 EGADRP Cc1nccn1CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272606646 456011039 /nfs/dbraw/zinc/01/10/39/456011039.db2.gz VJTPKHFJODDXBL-PWRODBHTSA-N 2 0 338.499 3.082 20 0 EGADRP CCCc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000620627066 460711896 /nfs/dbraw/zinc/71/18/96/460711896.db2.gz CBERYUXTJLUOQY-UHFFFAOYSA-N 2 0 338.499 3.076 20 0 EGADRP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1Cl ZINC000272772243 456066266 /nfs/dbraw/zinc/06/62/66/456066266.db2.gz SWUUYZMQJIBRJC-RHSMWYFYSA-N 2 0 345.874 3.152 20 0 EGADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272800958 456073108 /nfs/dbraw/zinc/07/31/08/456073108.db2.gz ZQKASVPSIUTGJN-QAPCUYQASA-N 2 0 330.497 3.474 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000272833086 456083783 /nfs/dbraw/zinc/08/37/83/456083783.db2.gz FOHJCNCJVLIADB-DBVUQKKJSA-N 2 0 346.515 3.422 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@H]1c1cccs1 ZINC000263116692 456095549 /nfs/dbraw/zinc/09/55/49/456095549.db2.gz AQEILAWQQXDDJM-WXSAJPJJSA-N 2 0 349.544 3.155 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000280996604 456104779 /nfs/dbraw/zinc/10/47/79/456104779.db2.gz NHYYLHOAFJZUCY-CPUCHLNUSA-N 2 0 344.421 3.489 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263219959 456111467 /nfs/dbraw/zinc/11/14/67/456111467.db2.gz LSGJIHYSBLLATI-YFVAEKQCSA-N 2 0 343.515 3.017 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000227330574 456113413 /nfs/dbraw/zinc/11/34/13/456113413.db2.gz BWERLMPWYGBLCU-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000263302299 456122357 /nfs/dbraw/zinc/12/23/57/456122357.db2.gz ZSPDFDHODUEHKQ-BHIYHBOVSA-N 2 0 331.504 3.093 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000273042441 456157006 /nfs/dbraw/zinc/15/70/06/456157006.db2.gz VKSNSNAMGMNUBH-HXUWFJFHSA-N 2 0 331.504 3.038 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)c2cccs2)CC1 ZINC000236661928 456165342 /nfs/dbraw/zinc/16/53/42/456165342.db2.gz HDALNMIPRIZHMY-APWZRJJASA-N 2 0 349.544 3.170 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc4cc[nH]c43)CC2)CC1 ZINC000271215612 456177762 /nfs/dbraw/zinc/17/77/62/456177762.db2.gz NDWQLNJUBJHRHI-UHFFFAOYSA-N 2 0 340.515 3.158 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236821792 456188141 /nfs/dbraw/zinc/18/81/41/456188141.db2.gz MSUHQBQLHJGVLA-APWZRJJASA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H](NCc1ncccc1N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289966758 456198740 /nfs/dbraw/zinc/19/87/40/456198740.db2.gz XEQFXEKMJMDEPC-PKOBYXMFSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000271313720 456216163 /nfs/dbraw/zinc/21/61/63/456216163.db2.gz JDTBQNSWKNUKRB-HNNXBMFYSA-N 2 0 331.435 3.054 20 0 EGADRP COc1ncccc1CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290028972 456220315 /nfs/dbraw/zinc/22/03/15/456220315.db2.gz CSWZEBMUBZUBQQ-YLJYHZDGSA-N 2 0 339.483 3.133 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CCCCC1 ZINC000237151845 456238876 /nfs/dbraw/zinc/23/88/76/456238876.db2.gz XQFBHFUZIZLEFA-LJQANCHMSA-N 2 0 345.531 3.441 20 0 EGADRP CCOc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc(Cl)c1O ZINC000297555347 456250718 /nfs/dbraw/zinc/25/07/18/456250718.db2.gz BVDVGKKSMDRNLU-CQSZACIVSA-N 2 0 338.879 3.362 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)N3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727788 456255378 /nfs/dbraw/zinc/25/53/78/456255378.db2.gz VQJBGDSUCYYFJN-LIRRHRJNSA-N 2 0 344.434 3.321 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189217643 456257201 /nfs/dbraw/zinc/25/72/01/456257201.db2.gz CDDWWRIFZWHSCO-WOJBJXKFSA-N 2 0 328.500 3.456 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000302057783 456276870 /nfs/dbraw/zinc/27/68/70/456276870.db2.gz AJINYZJVBPQLHD-DOTOQJQBSA-N 2 0 339.524 3.237 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(Cl)nc4ccccn43)C2)CC1 ZINC000290294952 456282672 /nfs/dbraw/zinc/28/26/72/456282672.db2.gz ARGBDVRBZOTXDB-OAHLLOKOSA-N 2 0 332.879 3.151 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccnn3-c3ccc(F)cc3)C2)CC1 ZINC000290354488 456302607 /nfs/dbraw/zinc/30/26/07/456302607.db2.gz GIXDSLSSCQUKEM-KRWDZBQOSA-N 2 0 342.462 3.175 20 0 EGADRP O[C@H](c1ccccc1)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297833154 456305230 /nfs/dbraw/zinc/30/52/30/456305230.db2.gz ZUFAHMVWDUKEKM-HXUWFJFHSA-N 2 0 337.467 3.154 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H](O)c1ccccc1 ZINC000290441541 456330520 /nfs/dbraw/zinc/33/05/20/456330520.db2.gz VPQDFIHVOZTYCC-CSODHUTKSA-N 2 0 342.483 3.400 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Br)o3)C2)CC1 ZINC000290492858 456342743 /nfs/dbraw/zinc/34/27/43/456342743.db2.gz OSHISEKKLBAWAO-ZDUSSCGKSA-N 2 0 327.266 3.206 20 0 EGADRP CCc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000302507671 456350132 /nfs/dbraw/zinc/35/01/32/456350132.db2.gz RFXBDOAUQGPXPO-OAHLLOKOSA-N 2 0 327.472 3.079 20 0 EGADRP CCc1cc(NC[C@@H](C)C[NH+]2CCN(CC)CC2)c2ccccc2[nH+]1 ZINC000302669629 456370571 /nfs/dbraw/zinc/37/05/71/456370571.db2.gz NNEXOQBMDAIYMK-QGZVFWFLSA-N 2 0 340.515 3.483 20 0 EGADRP COc1cc2[nH+]ccc(NC3CC[NH+](C4CC4)CC3)c2cc1OC ZINC000298242461 456402497 /nfs/dbraw/zinc/40/24/97/456402497.db2.gz LYVYZGFYXZDTDU-UHFFFAOYSA-N 2 0 327.428 3.291 20 0 EGADRP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337592386 456406888 /nfs/dbraw/zinc/40/68/88/456406888.db2.gz ICJYBBLMUSXKQI-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1OC ZINC000347904533 456425283 /nfs/dbraw/zinc/42/52/83/456425283.db2.gz BNBWTNWIEYMQCD-HKUYNNGSSA-N 2 0 344.499 3.461 20 0 EGADRP Clc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000340401556 456438469 /nfs/dbraw/zinc/43/84/69/456438469.db2.gz VLULBNQNAADAGE-UHFFFAOYSA-N 2 0 347.890 3.231 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(Cl)o2)[C@@H](c2ccccc2)C1 ZINC000340401190 456438959 /nfs/dbraw/zinc/43/89/59/456438959.db2.gz SCZRCYBMFHMIKG-GOSISDBHSA-N 2 0 347.890 3.401 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000303240875 456453269 /nfs/dbraw/zinc/45/32/69/456453269.db2.gz JOGBCOHQMNIEQH-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000298448068 456459859 /nfs/dbraw/zinc/45/98/59/456459859.db2.gz NVVDZPPXUPTJJR-UHFFFAOYSA-N 2 0 347.466 3.085 20 0 EGADRP COCC1(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000340443209 456464835 /nfs/dbraw/zinc/46/48/35/456464835.db2.gz DVYFKJMLXSRDPH-HKUYNNGSSA-N 2 0 331.504 3.088 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCCCC1 ZINC000348100174 456478208 /nfs/dbraw/zinc/47/82/08/456478208.db2.gz FKDIERCERSCVDE-IRXDYDNUSA-N 2 0 327.476 3.040 20 0 EGADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(C)ccc1OC ZINC000282369763 456491456 /nfs/dbraw/zinc/49/14/56/456491456.db2.gz QFKUJPPKAWPKPI-SFHVURJKSA-N 2 0 333.520 3.070 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2c(Cl)cccc2Cl)CC1(C)C ZINC000282372093 456493882 /nfs/dbraw/zinc/49/38/82/456493882.db2.gz NYCBCJGAQRPQCY-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP CSC1(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000353192982 456551018 /nfs/dbraw/zinc/55/10/18/456551018.db2.gz MYZOMMVJXSDKMJ-UHFFFAOYSA-N 2 0 348.434 3.328 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000298869447 456558676 /nfs/dbraw/zinc/55/86/76/456558676.db2.gz KCVWPEDCMNJWCF-CQSZACIVSA-N 2 0 329.444 3.030 20 0 EGADRP CC(C)(C)OC(=O)N(CC[NH2+]C1CCN(C2CC2)CC1)C(C)(C)C ZINC000310035757 456578918 /nfs/dbraw/zinc/57/89/18/456578918.db2.gz KQGWWVMNUTWBNU-UHFFFAOYSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000310057972 456580390 /nfs/dbraw/zinc/58/03/90/456580390.db2.gz YTOQQOQVMNHWTE-HZPDHXFCSA-N 2 0 339.524 3.144 20 0 EGADRP CC1(C)CC[C@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000310274858 456581301 /nfs/dbraw/zinc/58/13/01/456581301.db2.gz OGXAUJOJHJMBQD-HSALFYBXSA-N 2 0 328.500 3.398 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)cc1 ZINC000343445059 456625639 /nfs/dbraw/zinc/62/56/39/456625639.db2.gz NQFXJXWTUDSQFZ-QFBILLFUSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000282850299 456645381 /nfs/dbraw/zinc/64/53/81/456645381.db2.gz BEZRUNLKPSCRAV-IRLDBZIGSA-N 2 0 343.559 3.356 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282859385 456647574 /nfs/dbraw/zinc/64/75/74/456647574.db2.gz ULVIUHQJVRVMML-IBGZPJMESA-N 2 0 326.488 3.312 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000338193091 456697466 /nfs/dbraw/zinc/69/74/66/456697466.db2.gz VCXHABYTPDUXGJ-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277186592 456714845 /nfs/dbraw/zinc/71/48/45/456714845.db2.gz UKFBOZCLDHFOGF-NHCUHLMSSA-N 2 0 348.506 3.362 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000299609892 456743438 /nfs/dbraw/zinc/74/34/38/456743438.db2.gz OEBFGESQZUSODT-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)cc1)C(C)C ZINC000299621767 456747116 /nfs/dbraw/zinc/74/71/16/456747116.db2.gz DWYLWHJGEBGZLY-PMACEKPBSA-N 2 0 343.515 3.274 20 0 EGADRP C[C@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000343723157 456769271 /nfs/dbraw/zinc/76/92/71/456769271.db2.gz MYTPRMHOTCTETO-UWJYYQICSA-N 2 0 327.516 3.164 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)[C@H]2C1 ZINC000343949497 456784081 /nfs/dbraw/zinc/78/40/81/456784081.db2.gz YVVCEIWJPWCZIL-DZFGPLHGSA-N 2 0 347.547 3.020 20 0 EGADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338358196 456785310 /nfs/dbraw/zinc/78/53/10/456785310.db2.gz WHSZASFBHRNMHK-CQSZACIVSA-N 2 0 325.403 3.038 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C1(CC)CC ZINC000353606313 456798025 /nfs/dbraw/zinc/79/80/25/456798025.db2.gz DQJRSEFDCCOGTQ-CVEARBPZSA-N 2 0 328.566 3.387 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969392 456815043 /nfs/dbraw/zinc/81/50/43/456815043.db2.gz RYXNYDIPMPWCJQ-DJIMGWMZSA-N 2 0 342.405 3.155 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000353647367 456827649 /nfs/dbraw/zinc/82/76/49/456827649.db2.gz ROLXJOKEQOZKRQ-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP CCOC(=O)c1coc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000353656162 456834062 /nfs/dbraw/zinc/83/40/62/456834062.db2.gz CTVLEPALPCGIKD-HNNXBMFYSA-N 2 0 343.427 3.094 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338627100 456845222 /nfs/dbraw/zinc/84/52/22/456845222.db2.gz LRYMQASHWOLGEQ-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CC1 ZINC000338686545 456853092 /nfs/dbraw/zinc/85/30/92/456853092.db2.gz HWFTZXFJHIBVKY-IBGZPJMESA-N 2 0 330.520 3.138 20 0 EGADRP CC[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+](CC)CC ZINC000338763935 456856553 /nfs/dbraw/zinc/85/65/53/456856553.db2.gz WEERHBODIAMSDZ-IAGOWNOFSA-N 2 0 339.911 3.179 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000292123022 456861700 /nfs/dbraw/zinc/86/17/00/456861700.db2.gz KJKJUOLBIVNLCU-INIZCTEOSA-N 2 0 328.378 3.155 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc4ccccc4o3)CC2)CC1 ZINC000348839825 456879827 /nfs/dbraw/zinc/87/98/27/456879827.db2.gz YJMGRNJIALRZQM-UHFFFAOYSA-N 2 0 341.499 3.282 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000292196514 456881771 /nfs/dbraw/zinc/88/17/71/456881771.db2.gz XWVFTLQZQRTIQA-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP COC(=O)C[C@H]1CCC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000353749494 456887569 /nfs/dbraw/zinc/88/75/69/456887569.db2.gz UAGCSNUPVXSHLK-GOSISDBHSA-N 2 0 332.488 3.172 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000349198300 456910830 /nfs/dbraw/zinc/91/08/30/456910830.db2.gz WSSSVZCNTHHGEG-GOSISDBHSA-N 2 0 342.462 3.175 20 0 EGADRP C[C@H]1CCc2nc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)sc2C1 ZINC000349199079 456911242 /nfs/dbraw/zinc/91/12/42/456911242.db2.gz XYWBMGVCGAIWLY-HOCLYGCPSA-N 2 0 333.545 3.432 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(C)n2)[C@@H](C)C1 ZINC000353864821 456941383 /nfs/dbraw/zinc/94/13/83/456941383.db2.gz JXGZOWJNYZWKMV-PXNSSMCTSA-N 2 0 333.520 3.049 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000345205327 456966292 /nfs/dbraw/zinc/96/62/92/456966292.db2.gz KACZCSNXUVPUQZ-KKSFZXQISA-N 2 0 340.515 3.352 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000349686156 457015301 /nfs/dbraw/zinc/01/53/01/457015301.db2.gz SFGVUJJKSCKPTA-LJQANCHMSA-N 2 0 334.504 3.465 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)CC1 ZINC000339265037 457028406 /nfs/dbraw/zinc/02/84/06/457028406.db2.gz RNQAHMBLEWNYNW-UHFFFAOYSA-N 2 0 341.499 3.485 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362701173 457051934 /nfs/dbraw/zinc/05/19/34/457051934.db2.gz FJMDXPYIQZADMO-DBVUQKKJSA-N 2 0 333.495 3.235 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000362711401 457055599 /nfs/dbraw/zinc/05/55/99/457055599.db2.gz KQBCAXPWKRMSHG-VQIMIIECSA-N 2 0 329.488 3.199 20 0 EGADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102434 457056189 /nfs/dbraw/zinc/05/61/89/457056189.db2.gz GKUJTQLDPGLQQO-DYXWJJEUSA-N 2 0 329.532 3.361 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000362722566 457062205 /nfs/dbraw/zinc/06/22/05/457062205.db2.gz GEZRTUBZDAOIKC-SFHVURJKSA-N 2 0 331.504 3.133 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000356584737 457069056 /nfs/dbraw/zinc/06/90/56/457069056.db2.gz IQTIXEKPKIDGLJ-LJQANCHMSA-N 2 0 331.504 3.011 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129443 457082655 /nfs/dbraw/zinc/08/26/55/457082655.db2.gz CYGXQMNQAWUUGF-GPMSIDNRSA-N 2 0 325.456 3.348 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000339390792 457087440 /nfs/dbraw/zinc/08/74/40/457087440.db2.gz HPDHZDCVCWPHTC-VQTJNVASSA-N 2 0 345.531 3.134 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000339431993 457114318 /nfs/dbraw/zinc/11/43/18/457114318.db2.gz KPXDUFBVMAQMDE-LJQANCHMSA-N 2 0 329.488 3.484 20 0 EGADRP COc1ccc(-c2ccccc2)cc1C[NH2+]CCOCC[NH+](C)C ZINC000354203396 457128653 /nfs/dbraw/zinc/12/86/53/457128653.db2.gz HVGGXLAUDYFKJX-UHFFFAOYSA-N 2 0 328.456 3.030 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000356759977 457154307 /nfs/dbraw/zinc/15/43/07/457154307.db2.gz NKBDGQMBERCGRJ-MRXNPFEDSA-N 2 0 342.487 3.057 20 0 EGADRP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)N(C)C)cc1 ZINC000339590272 457158544 /nfs/dbraw/zinc/15/85/44/457158544.db2.gz HYHVVQZGGUUEEX-GMBSWORKSA-N 2 0 333.545 3.226 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000356773475 457160469 /nfs/dbraw/zinc/16/04/69/457160469.db2.gz LSLLTOMYBKKPRG-VQIMIIECSA-N 2 0 349.494 3.025 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000359950764 457166515 /nfs/dbraw/zinc/16/65/15/457166515.db2.gz UVOIKXJJYQNXIC-LVCYWYKZSA-N 2 0 329.532 3.491 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346825171 457179029 /nfs/dbraw/zinc/17/90/29/457179029.db2.gz ATYFEWGYCMFJSX-MORSLUCNSA-N 2 0 330.863 3.003 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCCC(C)C ZINC000346842442 457182301 /nfs/dbraw/zinc/18/23/01/457182301.db2.gz HUZLUQIXBFRRHX-BZSNNMDCSA-N 2 0 332.488 3.289 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000347039003 457196923 /nfs/dbraw/zinc/19/69/23/457196923.db2.gz ZLMCYOBMPFEYOV-ZWKOTPCHSA-N 2 0 345.531 3.276 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000347084383 457222673 /nfs/dbraw/zinc/22/26/73/457222673.db2.gz AGSUBAOMRAZWEW-UHFFFAOYSA-N 2 0 332.879 3.172 20 0 EGADRP CCCOc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OC ZINC000347155094 457260587 /nfs/dbraw/zinc/26/05/87/457260587.db2.gz CIQIRQKBSJCUSD-SFHVURJKSA-N 2 0 332.488 3.448 20 0 EGADRP Cc1cc(C)n(CC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000357005686 457270808 /nfs/dbraw/zinc/27/08/08/457270808.db2.gz AVIYVEPHLXUGDY-SFHVURJKSA-N 2 0 332.536 3.476 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@H]1CCCC[NH+]1C ZINC000357032382 457288369 /nfs/dbraw/zinc/28/83/69/457288369.db2.gz DPADCVWVZKIXER-HXUWFJFHSA-N 3 0 344.547 3.494 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000342422027 457294426 /nfs/dbraw/zinc/29/44/26/457294426.db2.gz YQKKWCOUNNMENV-HKUYNNGSSA-N 2 0 345.531 3.134 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000342428187 457299298 /nfs/dbraw/zinc/29/92/98/457299298.db2.gz ZXRHFCRHNCOJPC-WOJBJXKFSA-N 2 0 339.483 3.305 20 0 EGADRP CC(C)[C@@H]1C[NH+]([C@H](C)CC[N@@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339835402 457300849 /nfs/dbraw/zinc/30/08/49/457300849.db2.gz XHKZPHGQFZEBGL-AABGKKOBSA-N 2 0 340.552 3.259 20 0 EGADRP CC(C)c1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000354662655 457304581 /nfs/dbraw/zinc/30/45/81/457304581.db2.gz BPPNVWZXSJKFTN-UHFFFAOYSA-N 2 0 339.549 3.217 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357108125 457326280 /nfs/dbraw/zinc/32/62/80/457326280.db2.gz SWENUBVLUWAHMU-GOEBONIOSA-N 2 0 347.528 3.057 20 0 EGADRP CCc1nc(C)cc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000342480306 457327037 /nfs/dbraw/zinc/32/70/37/457327037.db2.gz NKFYGFGQBIGIQV-CALCHBBNSA-N 2 0 346.519 3.063 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)cc1 ZINC000352016125 457331531 /nfs/dbraw/zinc/33/15/31/457331531.db2.gz VGANKBSYSDJASY-DLBZAZTESA-N 2 0 331.504 3.083 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000352143481 457341744 /nfs/dbraw/zinc/34/17/44/457341744.db2.gz ZNMAZIZWNMTWOE-JKSUJKDBSA-N 2 0 337.533 3.168 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1)C(C)C ZINC000357313399 457440126 /nfs/dbraw/zinc/44/01/26/457440126.db2.gz XEMRKEXZQMYGKI-FRQCXROJSA-N 2 0 331.504 3.033 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000357314272 457440156 /nfs/dbraw/zinc/44/01/56/457440156.db2.gz YROSYUXVWHQHGO-TXPKVOOTSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(Cc2nc3ccccc3[nH]2)c1 ZINC000425108783 457440520 /nfs/dbraw/zinc/44/05/20/457440520.db2.gz QXKQKYDYTFYZHA-UHFFFAOYSA-N 2 0 336.439 3.432 20 0 EGADRP CCc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000390595069 457440898 /nfs/dbraw/zinc/44/08/98/457440898.db2.gz HDLYZONCXICPFO-UHFFFAOYSA-N 2 0 343.540 3.218 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073561 457468496 /nfs/dbraw/zinc/46/84/96/457468496.db2.gz BERVVLBJHNCHKD-INIZCTEOSA-N 2 0 347.478 3.269 20 0 EGADRP C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395230773 457476543 /nfs/dbraw/zinc/47/65/43/457476543.db2.gz VRLYTEUUSZSCPS-CEWLAPEOSA-N 2 0 329.532 3.409 20 0 EGADRP COc1ccc(F)cc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000360985323 457490039 /nfs/dbraw/zinc/49/00/39/457490039.db2.gz UUVFNBOLZGHXCO-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP CC(C)n1cncc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000425334895 457503588 /nfs/dbraw/zinc/50/35/88/457503588.db2.gz HPUCKHFAYDSBDK-ROUUACIJSA-N 2 0 348.535 3.175 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399103389 457506841 /nfs/dbraw/zinc/50/68/41/457506841.db2.gz WNOATBILOKDZHZ-DOTOQJQBSA-N 2 0 339.524 3.237 20 0 EGADRP CSC1(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000356184400 457514480 /nfs/dbraw/zinc/51/44/80/457514480.db2.gz URYIMRPTCMTKDA-UHFFFAOYSA-N 2 0 347.572 3.070 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779060 457519493 /nfs/dbraw/zinc/51/94/93/457519493.db2.gz NPUAAVVTFQUQBO-APWZRJJASA-N 2 0 338.499 3.384 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000374215473 457526027 /nfs/dbraw/zinc/52/60/27/457526027.db2.gz CJAHLZHDTHCVIU-QUCCMNQESA-N 2 0 344.547 3.032 20 0 EGADRP Fc1cccc(-c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)s2)c1 ZINC000352693749 457535841 /nfs/dbraw/zinc/53/58/41/457535841.db2.gz MXDGWCPETZILAU-QGZVFWFLSA-N 2 0 345.487 3.034 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000342806367 457536801 /nfs/dbraw/zinc/53/68/01/457536801.db2.gz QARIIYRDXFZCLP-PXNSSMCTSA-N 2 0 332.488 3.064 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000425412793 457539929 /nfs/dbraw/zinc/53/99/29/457539929.db2.gz CDUQVKDGOXJIRY-NEWSRXKRSA-N 2 0 332.488 3.138 20 0 EGADRP CSC1(C[NH2+]CCc2ccc(F)cc2Cl)CC[NH+](C)CC1 ZINC000356374817 457592882 /nfs/dbraw/zinc/59/28/82/457592882.db2.gz XMUJNFKTBQOBNY-UHFFFAOYSA-N 2 0 330.900 3.439 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000370268038 457604654 /nfs/dbraw/zinc/60/46/54/457604654.db2.gz VJEPDAKAPZSGAB-NQIIRXRSSA-N 2 0 346.515 3.453 20 0 EGADRP CC(C)[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000370479133 457657911 /nfs/dbraw/zinc/65/79/11/457657911.db2.gz YZFHRCLFOULDSV-BVSLBCMMSA-N 2 0 343.559 3.384 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000370624514 457684766 /nfs/dbraw/zinc/68/47/66/457684766.db2.gz MAHBZKFQWBBENK-QWHCGFSZSA-N 2 0 327.925 3.221 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)c1 ZINC000370633855 457687418 /nfs/dbraw/zinc/68/74/18/457687418.db2.gz IZMIVYDOROVDOT-IFMALSPDSA-N 2 0 341.543 3.074 20 0 EGADRP CC(C)CC[C@@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000361316678 457690807 /nfs/dbraw/zinc/69/08/07/457690807.db2.gz SXLZICBUSYMIFT-HXUWFJFHSA-N 2 0 333.520 3.417 20 0 EGADRP CC[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH2+]C1 ZINC000370842142 457727421 /nfs/dbraw/zinc/72/74/21/457727421.db2.gz DTWPAUDJQJFBAX-UTKZUKDTSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004300 457753026 /nfs/dbraw/zinc/75/30/26/457753026.db2.gz YCDJZFLAIFUYMM-QUCCMNQESA-N 2 0 338.499 3.312 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000433297844 457802015 /nfs/dbraw/zinc/80/20/15/457802015.db2.gz MQNBQFBRNOHRMU-CALCHBBNSA-N 2 0 345.531 3.235 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1O ZINC000426417522 457826842 /nfs/dbraw/zinc/82/68/42/457826842.db2.gz BAZQJSLYGDOGNE-IRXDYDNUSA-N 2 0 334.504 3.434 20 0 EGADRP Cc1ccc2ncc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2c1 ZINC000411245615 457839963 /nfs/dbraw/zinc/83/99/63/457839963.db2.gz PIOUFJRSCRELHQ-KRWDZBQOSA-N 2 0 341.499 3.068 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)cc2c1 ZINC000411256021 457842449 /nfs/dbraw/zinc/84/24/49/457842449.db2.gz HPQQHEKSCFOLJI-SFHVURJKSA-N 2 0 339.483 3.087 20 0 EGADRP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201451 457934315 /nfs/dbraw/zinc/93/43/15/457934315.db2.gz SOOHADLVJVHLKF-QGZVFWFLSA-N 2 0 339.487 3.136 20 0 EGADRP Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361891791 457934623 /nfs/dbraw/zinc/93/46/23/457934623.db2.gz YNGFMNDUXQFKQD-YTQUADARSA-N 2 0 328.456 3.122 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2c(C)noc2C)[C@H](C)C1 ZINC000358341376 457945215 /nfs/dbraw/zinc/94/52/15/457945215.db2.gz NGPGXFABZGONAA-DAYGRLMNSA-N 2 0 337.508 3.122 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+](C)C[C@@H]3CC[NH+](C)C3)cc2)cs1 ZINC000434186414 457958275 /nfs/dbraw/zinc/95/82/75/457958275.db2.gz IIRZNHZEMBVVNG-QGZVFWFLSA-N 2 0 345.512 3.414 20 0 EGADRP COC[C@@]1(C)CC[NH+](CCC(C)CC[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000411773450 457975821 /nfs/dbraw/zinc/97/58/21/457975821.db2.gz LWNJMBFJYFCNNO-PMACEKPBSA-N 2 0 340.552 3.120 20 0 EGADRP Cn1ncc2c1CCC[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000411852878 457992681 /nfs/dbraw/zinc/99/26/81/457992681.db2.gz MSISTAMISZEVME-UHFFFAOYSA-N 2 0 338.499 3.354 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000412133721 458102341 /nfs/dbraw/zinc/10/23/41/458102341.db2.gz RFILUYWTNBLABY-YLJYHZDGSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCN(C(=O)C4CC4)CC3)CC2)C1 ZINC000358612666 458108602 /nfs/dbraw/zinc/10/86/02/458108602.db2.gz WMDORWVXNLBZRV-UZLBHIALSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000375903587 458116780 /nfs/dbraw/zinc/11/67/80/458116780.db2.gz IFZSZEGPCIPLRH-FQEVSTJZSA-N 2 0 349.950 3.373 20 0 EGADRP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cc2)cs1 ZINC000435371653 458122994 /nfs/dbraw/zinc/12/29/94/458122994.db2.gz WCOIKLSJPAYYPZ-MRXNPFEDSA-N 2 0 331.485 3.201 20 0 EGADRP C[C@@H]1CN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000435378989 458128134 /nfs/dbraw/zinc/12/81/34/458128134.db2.gz HHCZDPDZBCIDER-XOKHGSTOSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(-n2cc(C[N@@H+]3CC[C@H](C[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000435388843 458133409 /nfs/dbraw/zinc/13/34/09/458133409.db2.gz JDLMMIINPLLEMK-MRXNPFEDSA-N 2 0 326.488 3.259 20 0 EGADRP CC[C@@H]1C[C@H](C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435427294 458144530 /nfs/dbraw/zinc/14/45/30/458144530.db2.gz MEUBDFVIAGLYAG-ZACQAIPSSA-N 2 0 349.544 3.292 20 0 EGADRP CN(Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[NH2+]CC1 ZINC000435435853 458146538 /nfs/dbraw/zinc/14/65/38/458146538.db2.gz COLNPJIJUWIWQD-HNNXBMFYSA-N 2 0 345.468 3.113 20 0 EGADRP Cc1ncsc1CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435629344 458176625 /nfs/dbraw/zinc/17/66/25/458176625.db2.gz UFYONZAXWMWADT-QGZVFWFLSA-N 2 0 330.501 3.033 20 0 EGADRP Cc1ncsc1CN(CCOc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435732601 458193288 /nfs/dbraw/zinc/19/32/88/458193288.db2.gz PXFYTSDMHKFINV-OAHLLOKOSA-N 2 0 349.475 3.081 20 0 EGADRP COC1(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428872897 458226368 /nfs/dbraw/zinc/22/63/68/458226368.db2.gz SZJPKGYUAHMMNF-UYAOXDASSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1C[NH+](C)C ZINC000362526087 458246442 /nfs/dbraw/zinc/24/64/42/458246442.db2.gz PRFWSTSBGALDFT-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP CCn1ccnc1[C@@H](C)NC(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459065489 458257921 /nfs/dbraw/zinc/25/79/21/458257921.db2.gz UBPQXGJWSDSZHQ-IKGGRYGDSA-N 2 0 349.523 3.164 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000429147695 458282246 /nfs/dbraw/zinc/28/22/46/458282246.db2.gz CCCYOYSPPBKKCF-LPHOPBHVSA-N 2 0 331.504 3.118 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCOCC[NH+](C)C ZINC000447600566 458319138 /nfs/dbraw/zinc/31/91/38/458319138.db2.gz MSDZBFIFMANWPR-HNNXBMFYSA-N 2 0 333.303 3.482 20 0 EGADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)ccc1OC(F)F ZINC000447602634 458320861 /nfs/dbraw/zinc/32/08/61/458320861.db2.gz TWYAFADDZVIZJG-LLVKDONJSA-N 2 0 336.810 3.170 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCCCC1 ZINC000372712944 458324988 /nfs/dbraw/zinc/32/49/88/458324988.db2.gz DTIXFIJZHGKMGF-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cn2)CC1 ZINC000459359467 458342084 /nfs/dbraw/zinc/34/20/84/458342084.db2.gz BVRJSMVRNWFDMF-UHFFFAOYSA-N 2 0 336.483 3.001 20 0 EGADRP C[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000429577202 458348541 /nfs/dbraw/zinc/34/85/41/458348541.db2.gz DZMZNDXODNYXBT-FXAWDEMLSA-N 2 0 343.515 3.019 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]1Sc1ccccc1 ZINC000459436048 458370016 /nfs/dbraw/zinc/37/00/16/458370016.db2.gz WNTLFQWAEPEORN-IPMKNSEASA-N 2 0 334.529 3.256 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000376825021 458397878 /nfs/dbraw/zinc/39/78/78/458397878.db2.gz ZXJJOHJDKHJMLQ-MJUUVYJYSA-N 2 0 330.516 3.285 20 0 EGADRP Clc1cccc2c1[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000459563222 458411794 /nfs/dbraw/zinc/41/17/94/458411794.db2.gz CAWSFUOQKKZZEP-MRXNPFEDSA-N 2 0 329.831 3.427 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[C@H]3CCC[N@H+](C)C3)ccc21 ZINC000459627896 458431560 /nfs/dbraw/zinc/43/15/60/458431560.db2.gz YCDANVJGBDPCME-BEFAXECRSA-N 2 0 344.503 3.089 20 0 EGADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423477978 458438566 /nfs/dbraw/zinc/43/85/66/458438566.db2.gz STDPFNFLGOFANY-BWPNAZKDSA-N 2 0 334.479 3.314 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423524552 458451665 /nfs/dbraw/zinc/45/16/65/458451665.db2.gz ZNSSTOSABMYZQQ-HQRMLTQVSA-N 2 0 325.456 3.091 20 0 EGADRP CCC[C@H]([NH2+]C[C@H]1CNCCN1C)c1cccc(C(F)(F)F)c1 ZINC000423526172 458451796 /nfs/dbraw/zinc/45/17/96/458451796.db2.gz UYVCZUOEEPGHPR-CVEARBPZSA-N 2 0 329.410 3.040 20 0 EGADRP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423527330 458452026 /nfs/dbraw/zinc/45/20/26/458452026.db2.gz MHQNVTNMPNERQD-TWHAJKEOSA-N 2 0 349.522 3.242 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000423533532 458453632 /nfs/dbraw/zinc/45/36/32/458453632.db2.gz XSSXTGHRPXDOBC-NSHDSACASA-N 2 0 327.266 3.250 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1F ZINC000423551123 458456204 /nfs/dbraw/zinc/45/62/04/458456204.db2.gz TXAAEMCTIAGBQI-JFILPPLUSA-N 2 0 326.843 3.144 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423551085 458456435 /nfs/dbraw/zinc/45/64/35/458456435.db2.gz TVCNEPSVCYVIOY-AKBOATIKSA-N 3 0 341.543 3.407 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000459721838 458457402 /nfs/dbraw/zinc/45/74/02/458457402.db2.gz BDYDBPFUSWSTFQ-MSOLQXFVSA-N 2 0 331.504 3.342 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1C ZINC000459735808 458462154 /nfs/dbraw/zinc/46/21/54/458462154.db2.gz PSFMKEBBYSOAIP-FUHWJXTLSA-N 2 0 331.504 3.342 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430571990 458462986 /nfs/dbraw/zinc/46/29/86/458462986.db2.gz OVRJNMQZSOXARE-DOTOQJQBSA-N 2 0 325.456 3.228 20 0 EGADRP C[NH2+][C@H]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430614663 458471970 /nfs/dbraw/zinc/47/19/70/458471970.db2.gz ZQVLPKJBIDWOOI-KRWDZBQOSA-N 2 0 339.439 3.101 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1)C1CC1 ZINC000430625911 458473067 /nfs/dbraw/zinc/47/30/67/458473067.db2.gz KCESOFWEDJPSCV-LJQANCHMSA-N 2 0 343.515 3.179 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000423720219 458475138 /nfs/dbraw/zinc/47/51/38/458475138.db2.gz AJWLETJZXGNYTQ-RCJHGTSTSA-N 2 0 329.488 3.184 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](CC)CC ZINC000430663166 458477138 /nfs/dbraw/zinc/47/71/38/458477138.db2.gz FMYKVZDEXWCVGV-MISYRCLQSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000459794406 458481055 /nfs/dbraw/zinc/48/10/55/458481055.db2.gz UPNIEDPUGJAKLE-HMXCVIKNSA-N 2 0 329.532 3.219 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000423781433 458482514 /nfs/dbraw/zinc/48/25/14/458482514.db2.gz XKEOIHPEVBLTSH-KRWDZBQOSA-N 2 0 345.531 3.079 20 0 EGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423802920 458487317 /nfs/dbraw/zinc/48/73/17/458487317.db2.gz VYUZMXPVUNZCFZ-IHWFROFDSA-N 2 0 347.547 3.022 20 0 EGADRP [NH3+]C[C@@H]1CCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916371 458503797 /nfs/dbraw/zinc/50/37/97/458503797.db2.gz AFVDJIPRTQAHAR-MAUKXSAKSA-N 2 0 334.423 3.107 20 0 EGADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430936431 458508048 /nfs/dbraw/zinc/50/80/48/458508048.db2.gz YLXUBAMFHPHUOV-INIZCTEOSA-N 2 0 339.439 3.088 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000430943755 458509009 /nfs/dbraw/zinc/50/90/09/458509009.db2.gz QLNCRSNGNIPJRG-HUUCEWRRSA-N 2 0 343.471 3.011 20 0 EGADRP C[NH2+]C[C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430949938 458509415 /nfs/dbraw/zinc/50/94/15/458509415.db2.gz FMOIFDYKPKUYAF-CQSZACIVSA-N 2 0 330.394 3.406 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1)c1ccccc1 ZINC000460383850 458515522 /nfs/dbraw/zinc/51/55/22/458515522.db2.gz IGTFOOUVDMSWCZ-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431025447 458518615 /nfs/dbraw/zinc/51/86/15/458518615.db2.gz SWAADSBOUFESIC-OAHLLOKOSA-N 2 0 326.444 3.182 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000431063231 458523172 /nfs/dbraw/zinc/52/31/72/458523172.db2.gz YVILCOKMNVYUQP-BTHPGYMESA-N 2 0 343.515 3.236 20 0 EGADRP CCC[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)C1CC[NH2+]CC1 ZINC000431082149 458526434 /nfs/dbraw/zinc/52/64/34/458526434.db2.gz HRAJALXZWXXLHL-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000468551201 458526949 /nfs/dbraw/zinc/52/69/49/458526949.db2.gz CKYPOYBYTMXRHW-SHCNBLLESA-N 2 0 346.515 3.009 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100590 458532313 /nfs/dbraw/zinc/53/23/13/458532313.db2.gz QGTLPLMLNRLODN-QGZVFWFLSA-N 2 0 348.516 3.071 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccco1)c1nc2ccc(F)cc2n1C ZINC000431412221 458569254 /nfs/dbraw/zinc/56/92/54/458569254.db2.gz CARIRSYKNNOCRH-UHFFFAOYSA-N 2 0 330.407 3.264 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000424149865 458571842 /nfs/dbraw/zinc/57/18/42/458571842.db2.gz XSCDFAMRDCTBOC-NEWSRXKRSA-N 2 0 337.552 3.396 20 0 EGADRP [NH3+]CCN(Cc1ccccc1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424161010 458573618 /nfs/dbraw/zinc/57/36/18/458573618.db2.gz XVKDPXIDFHQTBT-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438561341 458597657 /nfs/dbraw/zinc/59/76/57/458597657.db2.gz KQIVQMQQFWLJCA-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)ccc2o1 ZINC000424284104 458604440 /nfs/dbraw/zinc/60/44/40/458604440.db2.gz CIUIIXFDPXNGMI-AWEZNQCLSA-N 2 0 342.439 3.183 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1Cl)CC[NH2+]CC2 ZINC000424290510 458605106 /nfs/dbraw/zinc/60/51/06/458605106.db2.gz MSKDCMGMLRWJFZ-CQSZACIVSA-N 2 0 335.879 3.133 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431746008 458616122 /nfs/dbraw/zinc/61/61/22/458616122.db2.gz STMGCBAHXHIUFU-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431746270 458617262 /nfs/dbraw/zinc/61/72/62/458617262.db2.gz TXVODQNFSZOLPN-RMJJICAUSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000431759701 458618704 /nfs/dbraw/zinc/61/87/04/458618704.db2.gz PQPQPKDLGUBEBL-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000431844085 458633295 /nfs/dbraw/zinc/63/32/95/458633295.db2.gz KTBUCLJNIUFUPG-QUCCMNQESA-N 2 0 343.515 3.014 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000502242921 458641977 /nfs/dbraw/zinc/64/19/77/458641977.db2.gz UGUOTBQSEXWHHK-DLBZAZTESA-N 2 0 334.504 3.265 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1OC ZINC000502288415 458643949 /nfs/dbraw/zinc/64/39/49/458643949.db2.gz UPGNCMCODOSQCE-INIZCTEOSA-N 2 0 334.504 3.265 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000424446654 458644916 /nfs/dbraw/zinc/64/49/16/458644916.db2.gz SDHQNKOOSWJBCV-UHFFFAOYSA-N 2 0 340.471 3.097 20 0 EGADRP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000462826588 458659164 /nfs/dbraw/zinc/65/91/64/458659164.db2.gz QIQKBXZLEXUFSF-HUUCEWRRSA-N 2 0 347.890 3.396 20 0 EGADRP CCOc1cc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2cc1OCC ZINC000462868324 458662664 /nfs/dbraw/zinc/66/26/64/458662664.db2.gz AYLUVCZCAYGRTP-HUUCEWRRSA-N 2 0 343.471 3.349 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCSc3ccc(C)c(C)c3)C2)CC1 ZINC000471162568 458680094 /nfs/dbraw/zinc/68/00/94/458680094.db2.gz QMSKMBRBFULZFU-IBGZPJMESA-N 2 0 347.572 3.107 20 0 EGADRP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000471593422 458702537 /nfs/dbraw/zinc/70/25/37/458702537.db2.gz KYNRKIHYDBOUTG-FPOVZHCZSA-N 2 0 331.548 3.404 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000471604830 458703790 /nfs/dbraw/zinc/70/37/90/458703790.db2.gz DJTQHCCRWVVQPF-DZKIICNBSA-N 2 0 339.574 3.289 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]CC2CCC(C(F)(F)F)CC2)CCCO1 ZINC000432351173 458722201 /nfs/dbraw/zinc/72/22/01/458722201.db2.gz JRXICCJYAQCDOP-FHERZECASA-N 2 0 336.442 3.446 20 0 EGADRP COCCC1(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CCCCC1 ZINC000432359479 458723368 /nfs/dbraw/zinc/72/33/68/458723368.db2.gz QOMVAVLIYVFHCJ-SFHVURJKSA-N 2 0 326.525 3.064 20 0 EGADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000471780051 458728435 /nfs/dbraw/zinc/72/84/35/458728435.db2.gz KJOQINBWKUOMFA-VAMGGRTRSA-N 2 0 330.516 3.428 20 0 EGADRP c1nc(C2CCCC2)sc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249326 458729894 /nfs/dbraw/zinc/72/98/94/458729894.db2.gz VJZMHYKPZKWVSX-KRWDZBQOSA-N 2 0 349.544 3.391 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000494958277 458773127 /nfs/dbraw/zinc/77/31/27/458773127.db2.gz VJFJQUKCBCTUGP-OAHLLOKOSA-N 2 0 349.500 3.336 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(C(F)(F)F)s1 ZINC000432724555 458775097 /nfs/dbraw/zinc/77/50/97/458775097.db2.gz ZRABZAYRWRXLNY-XBFCOCLRSA-N 2 0 348.434 3.450 20 0 EGADRP C[NH+](C)CCc1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000547735965 458782464 /nfs/dbraw/zinc/78/24/64/458782464.db2.gz PWKUXGSVOSFUOE-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000473340662 458824942 /nfs/dbraw/zinc/82/49/42/458824942.db2.gz ANHZOKVCSYMNHV-VQTJNVASSA-N 2 0 345.531 3.415 20 0 EGADRP CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000457049954 458847578 /nfs/dbraw/zinc/84/75/78/458847578.db2.gz GEDOFCKSYUCBQR-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474035939 458856307 /nfs/dbraw/zinc/85/63/07/458856307.db2.gz OMKRMZFVQKLBAT-JXFKEZNVSA-N 2 0 345.531 3.033 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000474792898 458901415 /nfs/dbraw/zinc/90/14/15/458901415.db2.gz CIXYISKLCJLYAD-UHFFFAOYSA-N 2 0 336.520 3.495 20 0 EGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000556178591 458934498 /nfs/dbraw/zinc/93/44/98/458934498.db2.gz FOKVLBVRANSRNW-BDTNDASRSA-N 2 0 338.495 3.324 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000566440686 458935345 /nfs/dbraw/zinc/93/53/45/458935345.db2.gz PAPSUESVLSLTDQ-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000576943738 458952665 /nfs/dbraw/zinc/95/26/65/458952665.db2.gz VCHQMKLPYFELRC-UONOGXRCSA-N 2 0 328.378 3.016 20 0 EGADRP COC[C@H]1CCCC[NH+](CC(C)C[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000467123377 458953025 /nfs/dbraw/zinc/95/30/25/458953025.db2.gz YBEIAHJVTAGLQH-PMACEKPBSA-N 2 0 340.552 3.120 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000476128166 458980885 /nfs/dbraw/zinc/98/08/85/458980885.db2.gz BSZWGEJXOXBXNS-KSZLIROESA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000566716885 458987914 /nfs/dbraw/zinc/98/79/14/458987914.db2.gz OKAPXFAFBTWAJO-LEWJYISDSA-N 2 0 330.516 3.382 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000531948746 459004635 /nfs/dbraw/zinc/00/46/35/459004635.db2.gz MVGBEDKAFHBDRG-INIZCTEOSA-N 2 0 329.488 3.319 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324063 459015182 /nfs/dbraw/zinc/01/51/82/459015182.db2.gz HNBRVHAZRDMTAN-HOTGVXAUSA-N 2 0 330.501 3.361 20 0 EGADRP CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CC([NH3+])C1 ZINC000556947398 459036130 /nfs/dbraw/zinc/03/61/30/459036130.db2.gz JWCFIPIPFFEJBN-UHFFFAOYSA-N 2 0 344.503 3.405 20 0 EGADRP O=C1OCCN1c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000496045223 459048152 /nfs/dbraw/zinc/04/81/52/459048152.db2.gz MJTOTRWHALNLSU-GBESFXJTSA-N 2 0 343.471 3.044 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CC1(C)C ZINC000442881464 459051558 /nfs/dbraw/zinc/05/15/58/459051558.db2.gz ZMZHUVLPNVOJPM-NHCUHLMSSA-N 2 0 343.559 3.404 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000532268140 459057734 /nfs/dbraw/zinc/05/77/34/459057734.db2.gz RBJGPOIDQFVLKZ-SFHVURJKSA-N 2 0 327.472 3.033 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000557336956 459064053 /nfs/dbraw/zinc/06/40/53/459064053.db2.gz XQTGNOCFWMZPIC-NRFANRHFSA-N 2 0 329.532 3.110 20 0 EGADRP Cn1cnc2cc(CN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)ccc21 ZINC000577633523 459066588 /nfs/dbraw/zinc/06/65/88/459066588.db2.gz MQSPWHHEJARRDY-LJQANCHMSA-N 2 0 334.467 3.328 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC000577684610 459073076 /nfs/dbraw/zinc/07/30/76/459073076.db2.gz MOJJTRGPTCJIQC-BURNTYAHSA-N 2 0 328.500 3.038 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000443055260 459077683 /nfs/dbraw/zinc/07/76/83/459077683.db2.gz BADNQFBPBMPYJS-LAUBAEHRSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056839 459079415 /nfs/dbraw/zinc/07/94/15/459079415.db2.gz DJYAFHQXJJACGU-HOTGVXAUSA-N 2 0 343.471 3.013 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443063559 459081334 /nfs/dbraw/zinc/08/13/34/459081334.db2.gz WVNIUFBODWDFGV-CQSZACIVSA-N 2 0 331.485 3.380 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000577758157 459089650 /nfs/dbraw/zinc/08/96/50/459089650.db2.gz TUWAJGQABNNHFR-UHFFFAOYSA-N 2 0 325.456 3.221 20 0 EGADRP CCOc1cc2c(cc1CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)O[C@@H](C)C2 ZINC000532454885 459092427 /nfs/dbraw/zinc/09/24/27/459092427.db2.gz SSWCVMJMJXIBKR-RLFYNMQTSA-N 2 0 332.488 3.229 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000577955205 459123682 /nfs/dbraw/zinc/12/36/82/459123682.db2.gz HDGGUHDASFKCEO-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000577999622 459129397 /nfs/dbraw/zinc/12/93/97/459129397.db2.gz HQDZHJKXOGJRBE-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)C(C)(C)C ZINC000567689333 459146590 /nfs/dbraw/zinc/14/65/90/459146590.db2.gz IAGKYKXYSPHVCK-WMLDXEAASA-N 2 0 342.911 3.036 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000496345445 459158906 /nfs/dbraw/zinc/15/89/06/459158906.db2.gz SAOLZQPPMAFZDM-GTPINHCMSA-N 2 0 341.540 3.246 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000521613697 459164949 /nfs/dbraw/zinc/16/49/49/459164949.db2.gz XQDZIAALESSKRF-NRFANRHFSA-N 2 0 326.484 3.065 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000567801907 459170616 /nfs/dbraw/zinc/17/06/16/459170616.db2.gz ADRYNYBWXHZPSB-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578247720 459170545 /nfs/dbraw/zinc/17/05/45/459170545.db2.gz GGZIFOGXFXLXJO-CVEARBPZSA-N 2 0 327.428 3.242 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000590658904 459173835 /nfs/dbraw/zinc/17/38/35/459173835.db2.gz NGOGRUNRZRXJPU-AHRSYUTCSA-N 2 0 344.499 3.013 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CN1C(=O)OC(C)(C)C ZINC000496478031 459207454 /nfs/dbraw/zinc/20/74/54/459207454.db2.gz XOWZGSBUEUWGFD-HZPDHXFCSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480737539 459217128 /nfs/dbraw/zinc/21/71/28/459217128.db2.gz OXDSZSIGPRZMBR-OTWHNJEPSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000481153638 459235533 /nfs/dbraw/zinc/23/55/33/459235533.db2.gz JOCKFZAWVBIYEE-QRVBRYPASA-N 2 0 347.547 3.398 20 0 EGADRP Cc1nn(C)cc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000533739195 459266305 /nfs/dbraw/zinc/26/63/05/459266305.db2.gz XPOZUOOLKDJUCK-LPHOPBHVSA-N 2 0 326.488 3.119 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000481971234 459283499 /nfs/dbraw/zinc/28/34/99/459283499.db2.gz GQCLGQGGOJLCQW-MOPGFXCFSA-N 2 0 347.547 3.398 20 0 EGADRP [NH3+]C1(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCCCC1 ZINC000496723331 459301132 /nfs/dbraw/zinc/30/11/32/459301132.db2.gz UCWKKQGJSCMZTF-QGZVFWFLSA-N 2 0 345.487 3.291 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000482540079 459314053 /nfs/dbraw/zinc/31/40/53/459314053.db2.gz CFZFPNVVAGQCKR-YADHBBJMSA-N 2 0 343.559 3.405 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCCC1 ZINC000591132876 459320139 /nfs/dbraw/zinc/32/01/39/459320139.db2.gz BXDFKNGTRKGYRW-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000482999714 459333930 /nfs/dbraw/zinc/33/39/30/459333930.db2.gz MNOYVOABYONNKW-QGZVFWFLSA-N 2 0 340.556 3.061 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000496870255 459353120 /nfs/dbraw/zinc/35/31/20/459353120.db2.gz HLKMQRDVFQMPFA-KURKYZTESA-N 2 0 345.487 3.147 20 0 EGADRP CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000560528838 459365580 /nfs/dbraw/zinc/36/55/80/459365580.db2.gz RZLHZWVAPGIFCY-RBUKOAKNSA-N 2 0 331.548 3.419 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000496911134 459368159 /nfs/dbraw/zinc/36/81/59/459368159.db2.gz VVSUGVKZCOZLLY-IBGZPJMESA-N 2 0 347.503 3.313 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000483712600 459385136 /nfs/dbraw/zinc/38/51/36/459385136.db2.gz MJYIZJXZKBZPET-ZJOUEHCJSA-N 2 0 348.531 3.489 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)CC1 ZINC000540748560 459385182 /nfs/dbraw/zinc/38/51/82/459385182.db2.gz QFAGRXCBUGFYFW-OPYAIIAOSA-N 2 0 344.547 3.358 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000483736850 459387705 /nfs/dbraw/zinc/38/77/05/459387705.db2.gz SUBGUJQCHCLRQT-ROUUACIJSA-N 2 0 340.556 3.013 20 0 EGADRP Fc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)[nH]2)cc1 ZINC000582779652 459425745 /nfs/dbraw/zinc/42/57/45/459425745.db2.gz JNFBXOOTNKDBKI-IXDOHACOSA-N 2 0 343.450 3.011 20 0 EGADRP COc1cccc([C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[NH+]2CCCC2)c1 ZINC000569349526 459436966 /nfs/dbraw/zinc/43/69/66/459436966.db2.gz JGQMEROBFGOGLE-AQNXPRMDSA-N 2 0 331.504 3.082 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000561291849 459439380 /nfs/dbraw/zinc/43/93/80/459439380.db2.gz HENQTXVFYQJHRX-URVUXULASA-N 2 0 343.559 3.213 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000541574315 459467575 /nfs/dbraw/zinc/46/75/75/459467575.db2.gz JKWNONGJULTLLJ-HOTGVXAUSA-N 2 0 325.541 3.170 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000583052282 459473368 /nfs/dbraw/zinc/47/33/68/459473368.db2.gz ZTCUETFXTOGAQP-MRXNPFEDSA-N 2 0 332.488 3.326 20 0 EGADRP COc1cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000583071854 459476825 /nfs/dbraw/zinc/47/68/25/459476825.db2.gz VYBFBMYCZKDJRK-GXTWGEPZSA-N 2 0 328.403 3.117 20 0 EGADRP C[C@@]1(NC(=O)Nc2ccn3ccnc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000569609183 459481624 /nfs/dbraw/zinc/48/16/24/459481624.db2.gz MJMJKORGPQYUNA-HXUWFJFHSA-N 2 0 349.438 3.120 20 0 EGADRP Cc1cc(C)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C ZINC000541759018 459488066 /nfs/dbraw/zinc/48/80/66/459488066.db2.gz BQERPWSTAKMEIH-UHFFFAOYSA-N 2 0 343.559 3.461 20 0 EGADRP Cc1cnccc1CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569689751 459493500 /nfs/dbraw/zinc/49/35/00/459493500.db2.gz UZWUAIILKJMSPC-KDURUIRLSA-N 2 0 345.531 3.144 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000497241148 459499280 /nfs/dbraw/zinc/49/92/80/459499280.db2.gz BKVUDOGUVDSENN-OTBWCIGPSA-N 2 0 339.524 3.142 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000569811103 459513885 /nfs/dbraw/zinc/51/38/85/459513885.db2.gz KIVPIVYPCGMFBW-KOUNCHBCSA-N 3 0 335.495 3.431 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C[C@@H]1C ZINC000596093651 459517104 /nfs/dbraw/zinc/51/71/04/459517104.db2.gz CUHMZBXPXTYAIU-WZGPROSRSA-N 2 0 336.520 3.066 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CCC2CCCCC2)CC1 ZINC000486802238 459523723 /nfs/dbraw/zinc/52/37/23/459523723.db2.gz WGYYTZQUDMWKED-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000562615786 459602695 /nfs/dbraw/zinc/60/26/95/459602695.db2.gz SQBGCCLFPNMUIA-RDGPPVDQSA-N 2 0 332.536 3.404 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000562615785 459603457 /nfs/dbraw/zinc/60/34/57/459603457.db2.gz SQBGCCLFPNMUIA-HCXYKTFWSA-N 2 0 332.536 3.404 20 0 EGADRP c1ccc(-c2noc([C@@H]3CCCC[N@H+]3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000583922374 459619667 /nfs/dbraw/zinc/61/96/67/459619667.db2.gz OAHZSJHNUYQZRZ-WBVHZDCISA-N 2 0 326.444 3.263 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000543431395 459656609 /nfs/dbraw/zinc/65/66/09/459656609.db2.gz GNMDGHQNSAOAEW-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000500424382 459678953 /nfs/dbraw/zinc/67/89/53/459678953.db2.gz VGOWGWYPUWBUOK-NHCUHLMSSA-N 2 0 346.515 3.115 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000562983850 459686487 /nfs/dbraw/zinc/68/64/87/459686487.db2.gz AFKSPXDWVVOACT-LJQANCHMSA-N 2 0 332.875 3.095 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)CC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000562995285 459689459 /nfs/dbraw/zinc/68/94/59/459689459.db2.gz BNVDQKVYJGZWAP-DJIMGWMZSA-N 2 0 344.421 3.190 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527720866 459713070 /nfs/dbraw/zinc/71/30/70/459713070.db2.gz QQRPREXHWKKHNC-LLVKDONJSA-N 2 0 346.700 3.319 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cc1 ZINC000563135960 459723316 /nfs/dbraw/zinc/72/33/16/459723316.db2.gz WFBOJJUXVFMWRH-UHFFFAOYSA-N 2 0 341.474 3.081 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC[NH+]3CCCCC3)C2)s1 ZINC000563217238 459741360 /nfs/dbraw/zinc/74/13/60/459741360.db2.gz MSHODVNOUQFXKY-SFHVURJKSA-N 2 0 335.561 3.296 20 0 EGADRP CCCNC(=O)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000573860105 459746521 /nfs/dbraw/zinc/74/65/21/459746521.db2.gz MRBNPVZAYNKVAU-LJQANCHMSA-N 2 0 345.531 3.183 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)[C@@H](C)C1 ZINC000544384719 459754011 /nfs/dbraw/zinc/75/40/11/459754011.db2.gz DDQJJYUUQQUXMN-ULQDDVLXSA-N 2 0 330.582 3.491 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC12CC2 ZINC000527853289 459757867 /nfs/dbraw/zinc/75/78/67/459757867.db2.gz UHHYFUGKWUNJNG-IHPCNDPISA-N 2 0 327.516 3.143 20 0 EGADRP CN(CCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cc[nH+]cc1 ZINC000584513723 459759071 /nfs/dbraw/zinc/75/90/71/459759071.db2.gz RWAQBCOBNOPSJI-IBGZPJMESA-N 2 0 338.455 3.096 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527894579 459767339 /nfs/dbraw/zinc/76/73/39/459767339.db2.gz UDUMMCPDCFNWAO-SCLBCKFNSA-N 2 0 339.886 3.082 20 0 EGADRP CCCCCOc1ccc([C@H]([NH2+]C[C@@]2(O)CCN(C)C2)C2CC2)cc1 ZINC000545161152 459805191 /nfs/dbraw/zinc/80/51/91/459805191.db2.gz MFOBNTDLPYTSSP-RTWAWAEBSA-N 2 0 346.515 3.363 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000566104795 459805564 /nfs/dbraw/zinc/80/55/64/459805564.db2.gz CXZSBUHHFPVRID-IBGZPJMESA-N 2 0 344.503 3.372 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000566325555 459844031 /nfs/dbraw/zinc/84/40/31/459844031.db2.gz QELUVRAWMXQAME-HZPDHXFCSA-N 2 0 336.442 3.444 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000574688192 459853595 /nfs/dbraw/zinc/85/35/95/459853595.db2.gz HJIKOWDODHZCAB-ROUUACIJSA-N 2 0 345.874 3.149 20 0 EGADRP [NH3+]C1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCCCC1 ZINC000575201517 459948515 /nfs/dbraw/zinc/94/85/15/459948515.db2.gz ASKYQXZJEDZEES-QGZVFWFLSA-N 2 0 349.906 3.255 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000621645599 459995808 /nfs/dbraw/zinc/99/58/08/459995808.db2.gz ILMFLVJAVTUMBQ-SJORKVTESA-N 2 0 331.504 3.012 20 0 EGADRP c1cnc(Oc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000575850677 460017059 /nfs/dbraw/zinc/01/70/59/460017059.db2.gz NSMWUNCMNXDDCX-MJGOQNOKSA-N 2 0 338.455 3.233 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000621727922 460033663 /nfs/dbraw/zinc/03/36/63/460033663.db2.gz WASVIKLYFSQZSI-KRWDZBQOSA-N 2 0 335.561 3.301 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@H](O)CCC(C)C)CC2)cc1 ZINC000575981391 460045670 /nfs/dbraw/zinc/04/56/70/460045670.db2.gz KSGBNROFMJCYKY-HXUWFJFHSA-N 2 0 348.531 3.294 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000576169240 460083346 /nfs/dbraw/zinc/08/33/46/460083346.db2.gz CIWLTAODGVQEHF-RTWAWAEBSA-N 2 0 326.484 3.263 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641921 460119295 /nfs/dbraw/zinc/11/92/95/460119295.db2.gz VMDJURAAIJLZLO-CALCHBBNSA-N 2 0 328.504 3.421 20 0 EGADRP COC(=O)c1oc([C@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1C ZINC000602846028 460156984 /nfs/dbraw/zinc/15/69/84/460156984.db2.gz OSWNTKMGBGUISJ-HNNXBMFYSA-N 2 0 343.427 3.043 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000599310322 460225012 /nfs/dbraw/zinc/22/50/12/460225012.db2.gz QANKFSGZNZOGBX-PXNSSMCTSA-N 2 0 343.515 3.162 20 0 EGADRP CC(C)(CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000622554184 460276677 /nfs/dbraw/zinc/27/66/77/460276677.db2.gz ORAVRKGUBUUORO-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2COc3ccccc3O2)C1 ZINC000603740925 460338077 /nfs/dbraw/zinc/33/80/77/460338077.db2.gz XUXUEDMPSCTFRB-GUDVDZBRSA-N 2 0 344.499 3.413 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000623064915 460401563 /nfs/dbraw/zinc/40/15/63/460401563.db2.gz JTLXSAQDZZWGKS-HKUYNNGSSA-N 2 0 344.503 3.134 20 0 EGADRP CC(C)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000634679880 460473616 /nfs/dbraw/zinc/47/36/16/460473616.db2.gz GFZOKMJAURWEGN-IBGZPJMESA-N 2 0 339.474 3.278 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000631623977 460477316 /nfs/dbraw/zinc/47/73/16/460477316.db2.gz KDENHHGLPDEEFY-TUFLPTIASA-N 2 0 340.511 3.446 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623358288 460510064 /nfs/dbraw/zinc/51/00/64/460510064.db2.gz XUAOXLMBWGGWEN-MRXNPFEDSA-N 2 0 345.466 3.151 20 0 EGADRP c1nc2c(s1)CCC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000623907876 460772080 /nfs/dbraw/zinc/77/20/80/460772080.db2.gz HMFHCUGBXMDTPC-INIZCTEOSA-N 2 0 328.485 3.422 20 0 EGADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629531950 460797779 /nfs/dbraw/zinc/79/77/79/460797779.db2.gz FRZKBACFQHMKBI-UONOGXRCSA-N 2 0 327.394 3.312 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000629545035 460802772 /nfs/dbraw/zinc/80/27/72/460802772.db2.gz ALSBYQMCZOWRGU-MISYRCLQSA-N 2 0 331.504 3.374 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1c(Cl)cccc1Cl ZINC000629558120 460807756 /nfs/dbraw/zinc/80/77/56/460807756.db2.gz AVHFBNLPQQDZNC-CHWSQXEVSA-N 2 0 331.287 3.143 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624119394 460867898 /nfs/dbraw/zinc/86/78/98/460867898.db2.gz ANRSXOUCIQZGGH-CABCVRRESA-N 2 0 337.895 3.379 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624119395 460868689 /nfs/dbraw/zinc/86/86/89/460868689.db2.gz ANRSXOUCIQZGGH-GJZGRUSLSA-N 2 0 337.895 3.379 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120852 460870438 /nfs/dbraw/zinc/87/04/38/460870438.db2.gz IJPVOYWXEMRMOP-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OC[C@H](O)C[NH3+])cc2)cc1 ZINC000629702750 460875542 /nfs/dbraw/zinc/87/55/42/460875542.db2.gz UKOLSPCAJBIQFY-OXJNMPFZSA-N 2 0 340.467 3.036 20 0 EGADRP O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000624259524 460934723 /nfs/dbraw/zinc/93/47/23/460934723.db2.gz OIRHWRZVPKBSLO-VAMGGRTRSA-N 2 0 337.467 3.178 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCCC2 ZINC000608073296 460977349 /nfs/dbraw/zinc/97/73/49/460977349.db2.gz GWDXQLNYSMARQM-VQTJNVASSA-N 2 0 346.515 3.454 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628186174 461037683 /nfs/dbraw/zinc/03/76/83/461037683.db2.gz BDCRYJVVQMTOFI-UHFFFAOYSA-N 2 0 344.503 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000624564461 461054849 /nfs/dbraw/zinc/05/48/49/461054849.db2.gz APSQNJDEWWXEBD-IBGZPJMESA-N 2 0 331.504 3.131 20 0 EGADRP CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1(C)C ZINC000608579383 461085077 /nfs/dbraw/zinc/08/50/77/461085077.db2.gz HQSNQWOAAVDWCM-TZIWHRDSSA-N 2 0 346.515 3.454 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000652349554 461142910 /nfs/dbraw/zinc/14/29/10/461142910.db2.gz SKRHYPWTHALDMI-LZWOXQAQSA-N 2 0 331.485 3.015 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000652352045 461146302 /nfs/dbraw/zinc/14/63/02/461146302.db2.gz YTQPFGHSCAUMAK-UGKGYDQZSA-N 2 0 349.478 3.500 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cc(-c3cccs3)on2)C1 ZINC000652361714 461154786 /nfs/dbraw/zinc/15/47/86/461154786.db2.gz NCZZHABUBZZORO-FVQBIDKESA-N 2 0 347.484 3.264 20 0 EGADRP Cn1cncc1CCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662269941 461157035 /nfs/dbraw/zinc/15/70/35/461157035.db2.gz FVFFDOKJCSJIBL-CTNGQTDRSA-N 2 0 340.515 3.025 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C(C)(C)CC)CC2)cc1 ZINC000655270564 461157050 /nfs/dbraw/zinc/15/70/50/461157050.db2.gz CWOBJCOTWWYENJ-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000662272338 461158010 /nfs/dbraw/zinc/15/80/10/461158010.db2.gz DWTJIHADHPFPEL-STQMWFEESA-N 2 0 328.378 3.249 20 0 EGADRP CCc1nocc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270814 461158284 /nfs/dbraw/zinc/15/82/84/461158284.db2.gz OPNXJAUBRCUWLB-FXAWDEMLSA-N 2 0 327.472 3.409 20 0 EGADRP COc1ccc(-c2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000662272329 461158556 /nfs/dbraw/zinc/15/85/56/461158556.db2.gz DYZJHSYVQCNEFC-QGZVFWFLSA-N 2 0 341.455 3.172 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000662281646 461162770 /nfs/dbraw/zinc/16/27/70/461162770.db2.gz KTRCSFCVAHLFFS-MAUKXSAKSA-N 2 0 338.879 3.067 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])on2)cc1 ZINC000662287106 461168542 /nfs/dbraw/zinc/16/85/42/461168542.db2.gz WBPYYPSNCQCIMV-AUUYWEPGSA-N 2 0 329.444 3.300 20 0 EGADRP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294183 461173364 /nfs/dbraw/zinc/17/33/64/461173364.db2.gz PQHWEZSYFWBPCG-AEFFLSMTSA-N 2 0 339.487 3.040 20 0 EGADRP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)c1C ZINC000662316403 461187837 /nfs/dbraw/zinc/18/78/37/461187837.db2.gz VXOMUMPVLWDLTB-MLGOLLRUSA-N 2 0 337.533 3.451 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633802790 461278744 /nfs/dbraw/zinc/27/87/44/461278744.db2.gz JVZFNJZSHDUUFG-ZHALLVOQSA-N 2 0 345.531 3.037 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638178101 461291889 /nfs/dbraw/zinc/29/18/89/461291889.db2.gz FMOLIXQZIMUFGN-PFAUGDHASA-N 2 0 328.500 3.364 20 0 EGADRP CCn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000641746381 461348071 /nfs/dbraw/zinc/34/80/71/461348071.db2.gz WHOYYZXGMCCIAD-UHFFFAOYSA-N 2 0 326.488 3.392 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000633953994 461351724 /nfs/dbraw/zinc/35/17/24/461351724.db2.gz IJFHFPSCUNDOCN-IBGZPJMESA-N 2 0 347.547 3.260 20 0 EGADRP CN(C(=O)c1cccc2c1C[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000662720196 461355376 /nfs/dbraw/zinc/35/53/76/461355376.db2.gz VMHMIDYWFDZHAY-UHFFFAOYSA-N 2 0 349.478 3.026 20 0 EGADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000638313136 461360641 /nfs/dbraw/zinc/36/06/41/461360641.db2.gz PUYPWFQKNXOGBE-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638312977 461360840 /nfs/dbraw/zinc/36/08/40/461360840.db2.gz LVVWLVXQKWQFGU-QFBILLFUSA-N 2 0 331.504 3.065 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](c3ccccc3)C3CCC3)C2)CC1 ZINC000641773273 461363847 /nfs/dbraw/zinc/36/38/47/461363847.db2.gz GIJUPLHKRFLHTI-TZIWHRDSSA-N 2 0 327.516 3.286 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000641775082 461365960 /nfs/dbraw/zinc/36/59/60/461365960.db2.gz KFKFISWNOBAMQI-NQIIRXRSSA-N 2 0 329.532 3.391 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3nsc4ccccc43)CC2)C1 ZINC000641799952 461378240 /nfs/dbraw/zinc/37/82/40/461378240.db2.gz UEQDNOHFXVGMSH-YOEHRIQHSA-N 2 0 331.485 3.015 20 0 EGADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000641807098 461383013 /nfs/dbraw/zinc/38/30/13/461383013.db2.gz QIWGAUGRELBIBN-VXGBXAGGSA-N 2 0 330.259 3.037 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000652871931 461394968 /nfs/dbraw/zinc/39/49/68/461394968.db2.gz ZVXGIWYLKOQPMN-KRWDZBQOSA-N 2 0 335.517 3.153 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668740172 461409827 /nfs/dbraw/zinc/40/98/27/461409827.db2.gz QUDQKFSAOKBVKB-HBMCJLEFSA-N 2 0 328.500 3.028 20 0 EGADRP FC1(F)Oc2cccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2O1 ZINC000668763036 461420766 /nfs/dbraw/zinc/42/07/66/461420766.db2.gz OBQISPCMTUKNCG-UHFFFAOYSA-N 2 0 347.365 3.162 20 0 EGADRP CO[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCOC1 ZINC000638458145 461438487 /nfs/dbraw/zinc/43/84/87/461438487.db2.gz RIWVQMZVEPGAIU-LEWJYISDSA-N 2 0 346.515 3.204 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)N1CC[NH+](C)CC1 ZINC000666082365 461446065 /nfs/dbraw/zinc/44/60/65/461446065.db2.gz UQTDNMWTBGAGFN-YLJYHZDGSA-N 2 0 349.950 3.059 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666111383 461455866 /nfs/dbraw/zinc/45/58/66/461455866.db2.gz IBBXDQJNONTGSJ-NSISKUIASA-N 2 0 348.918 3.165 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000655803961 461463738 /nfs/dbraw/zinc/46/37/38/461463738.db2.gz JXJMDRKBDGHNNV-XKQJLSEDSA-N 2 0 332.879 3.093 20 0 EGADRP CC(C)O[C@@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000638563702 461486163 /nfs/dbraw/zinc/48/61/63/461486163.db2.gz BLCLGQCOCXOVQH-NRFANRHFSA-N 2 0 347.547 3.016 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587423 461495802 /nfs/dbraw/zinc/49/58/02/461495802.db2.gz CKXMLQISTJQCFT-QFUCXCTJSA-N 2 0 327.516 3.286 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(CCOC)s2)c1 ZINC000631066156 461516601 /nfs/dbraw/zinc/51/66/01/461516601.db2.gz ZFIFAMRFAXSICA-UHFFFAOYSA-N 2 0 333.501 3.074 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(F)c1 ZINC000631066412 461517927 /nfs/dbraw/zinc/51/79/27/461517927.db2.gz XUSHTQZSLIDFOG-UHFFFAOYSA-N 2 0 342.458 3.381 20 0 EGADRP CC[N@H+](CCCNC(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653200371 461554481 /nfs/dbraw/zinc/55/44/81/461554481.db2.gz BWBSAUKPNKGGGO-LJQANCHMSA-N 2 0 331.504 3.237 20 0 EGADRP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)Oc1ccccc1 ZINC000638750976 461562308 /nfs/dbraw/zinc/56/23/08/461562308.db2.gz PCPHCUNOFTYJGE-WOJBJXKFSA-N 2 0 346.515 3.202 20 0 EGADRP O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000660122858 461593139 /nfs/dbraw/zinc/59/31/39/461593139.db2.gz ZNFSVMFNFSWYFG-ZCNNSNEGSA-N 2 0 347.547 3.022 20 0 EGADRP O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000660122857 461593690 /nfs/dbraw/zinc/59/36/90/461593690.db2.gz ZNFSVMFNFSWYFG-XUVXKRRUSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1SCC[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000647258173 461593760 /nfs/dbraw/zinc/59/37/60/461593760.db2.gz SXRZWIMFFZNAJU-CRAIPNDOSA-N 2 0 333.545 3.201 20 0 EGADRP c1ccc([C@H]2C[C@@H](NCCC[NH+]3CCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638849275 461615388 /nfs/dbraw/zinc/61/53/88/461615388.db2.gz RSWHSQLAAASUBZ-PZJWPPBQSA-N 3 0 327.516 3.430 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000656195733 461643134 /nfs/dbraw/zinc/64/31/34/461643134.db2.gz FJTXRIAXCFDLKA-KFWWJZLASA-N 2 0 327.394 3.144 20 0 EGADRP CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000650236656 461654681 /nfs/dbraw/zinc/65/46/81/461654681.db2.gz BRDXLQMXJOWNSO-IBGZPJMESA-N 2 0 346.519 3.335 20 0 EGADRP c1nc([C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)n[nH]1 ZINC000663466722 461655597 /nfs/dbraw/zinc/65/55/97/461655597.db2.gz XHGJHOWFXMPHAY-FUHWJXTLSA-N 2 0 331.508 3.138 20 0 EGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663470136 461659104 /nfs/dbraw/zinc/65/91/04/461659104.db2.gz SJSUZGZVYTUAEA-HKUYNNGSSA-N 2 0 343.515 3.424 20 0 EGADRP OCC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000643296930 461672674 /nfs/dbraw/zinc/67/26/74/461672674.db2.gz HEHWPKNGUJMBFQ-IBGZPJMESA-N 2 0 346.515 3.146 20 0 EGADRP C[NH2+]C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000663508521 461678634 /nfs/dbraw/zinc/67/86/34/461678634.db2.gz BZLJKAJFMIFLRM-OAHLLOKOSA-N 2 0 338.430 3.376 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000643524177 461752079 /nfs/dbraw/zinc/75/20/79/461752079.db2.gz SRZTYBFKCRCYME-GGPKGHCWSA-N 2 0 325.456 3.234 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC45CC[NH2+]CC5)[C@@H]3C2)cc1 ZINC000643535017 461754909 /nfs/dbraw/zinc/75/49/09/461754909.db2.gz HICPTVJLXYOWQS-WOZUAGRISA-N 3 0 339.527 3.019 20 0 EGADRP Clc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000647542710 461754911 /nfs/dbraw/zinc/75/49/11/461754911.db2.gz AMQSPWQDBZZSNA-GJZGRUSLSA-N 2 0 332.879 3.199 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cnn1-c1ccc(F)cc1 ZINC000643536174 461756530 /nfs/dbraw/zinc/75/65/30/461756530.db2.gz SAOMUCNIIQKHPR-SCLBCKFNSA-N 2 0 328.435 3.113 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000647543501 461757372 /nfs/dbraw/zinc/75/73/72/461757372.db2.gz OKRCDKNFSWSMOG-CVEARBPZSA-N 2 0 344.528 3.360 20 0 EGADRP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543043 461757547 /nfs/dbraw/zinc/75/75/47/461757547.db2.gz GXDFBRALKSRJME-UONOGXRCSA-N 2 0 338.293 3.056 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000643545939 461759289 /nfs/dbraw/zinc/75/92/89/461759289.db2.gz FWVBPDGOGIKUOA-RDTXWAMCSA-N 2 0 342.487 3.296 20 0 EGADRP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543923 461760040 /nfs/dbraw/zinc/76/00/40/461760040.db2.gz ULIJWMLVZHHYDQ-HUUCEWRRSA-N 2 0 330.501 3.350 20 0 EGADRP C[C@H]1C[C@H](C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CC[NH2+]1 ZINC000666690861 461760870 /nfs/dbraw/zinc/76/08/70/461760870.db2.gz OWPKJLSTPPZAEJ-JKSUJKDBSA-N 2 0 340.471 3.304 20 0 EGADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647551138 461762947 /nfs/dbraw/zinc/76/29/47/461762947.db2.gz ZPWYLZNODVVKIQ-JJRVBVJISA-N 2 0 349.316 3.458 20 0 EGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC[NH+](C)CC1 ZINC000653617227 461763610 /nfs/dbraw/zinc/76/36/10/461763610.db2.gz MZZAHPYOWFXAJD-AUUYWEPGSA-N 2 0 344.503 3.087 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498702 461767418 /nfs/dbraw/zinc/76/74/18/461767418.db2.gz AHABNLNORGWSAS-GSEOLPGOSA-N 2 0 346.540 3.399 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC000669692210 461768830 /nfs/dbraw/zinc/76/88/30/461768830.db2.gz GYMDLUZWMLMGEX-JKSUJKDBSA-N 2 0 335.458 3.065 20 0 EGADRP COc1ccc(-c2nc(C[NH2+]CC3(C)CC[NH2+]CC3)cs2)cc1 ZINC000666839631 461825705 /nfs/dbraw/zinc/82/57/05/461825705.db2.gz LCFSEKWSYGGFJP-UHFFFAOYSA-N 2 0 331.485 3.298 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1)c1ccco1 ZINC000647786792 461834805 /nfs/dbraw/zinc/83/48/05/461834805.db2.gz YTNLOXIYQCHIST-SOLBZPMBSA-N 2 0 339.439 3.010 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857821 461839077 /nfs/dbraw/zinc/83/90/77/461839077.db2.gz KLXDPOHQYZPNRQ-YPMHNXCESA-N 2 0 329.257 3.251 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000647796997 461839293 /nfs/dbraw/zinc/83/92/93/461839293.db2.gz UJASPKQYDTUYNW-PXCRPINLSA-N 2 0 345.531 3.054 20 0 EGADRP Fc1cc(Br)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000647796787 461840262 /nfs/dbraw/zinc/84/02/62/461840262.db2.gz NSWRVOAXSBZMIL-JBLDHEPKSA-N 2 0 345.231 3.205 20 0 EGADRP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878161 461866666 /nfs/dbraw/zinc/86/66/66/461866666.db2.gz RJHVOCSQIDVAED-CQSZACIVSA-N 2 0 341.484 3.286 20 0 EGADRP COc1ccc(C(=O)C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000647874458 461866868 /nfs/dbraw/zinc/86/68/68/461866868.db2.gz YBFNOWHBZPDADQ-UHFFFAOYSA-N 2 0 344.499 3.370 20 0 EGADRP O=c1[nH]c2ccccc2n1C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647873392 461867156 /nfs/dbraw/zinc/86/71/56/461867156.db2.gz DHXLLPWZCCLJOF-UHFFFAOYSA-N 2 0 342.487 3.159 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000666921642 461869431 /nfs/dbraw/zinc/86/94/31/461869431.db2.gz OBMPGWBAMBSOKZ-HNAYVOBHSA-N 2 0 325.456 3.364 20 0 EGADRP Clc1ccc(-c2noc([C@H]3CCC[N@H+](C[C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000647883996 461870185 /nfs/dbraw/zinc/87/01/85/461870185.db2.gz SOWHTWCDMBSIJI-HIFRSBDPSA-N 2 0 346.862 3.179 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952100 461884969 /nfs/dbraw/zinc/88/49/69/461884969.db2.gz FVXGQEACQFRQLZ-KRWDZBQOSA-N 2 0 330.863 3.066 20 0 EGADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000660623010 461885992 /nfs/dbraw/zinc/88/59/92/461885992.db2.gz KKLJAQJOVBSJSI-UHFFFAOYSA-N 2 0 341.455 3.171 20 0 EGADRP c1ccc(CN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCC[NH2+]C2)cc1 ZINC000656784855 461894678 /nfs/dbraw/zinc/89/46/78/461894678.db2.gz DCSVGMMRNTZVPL-JOCHJYFZSA-N 2 0 335.495 3.087 20 0 EGADRP CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OC ZINC000656785180 461896119 /nfs/dbraw/zinc/89/61/19/461896119.db2.gz KDINRFVPMSUAPA-SFHVURJKSA-N 2 0 332.488 3.306 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788747 461898161 /nfs/dbraw/zinc/89/81/61/461898161.db2.gz BZJRLNRBDNSKRP-GFCCVEGCSA-N 2 0 343.393 3.284 20 0 EGADRP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2O1 ZINC000650707435 461901979 /nfs/dbraw/zinc/90/19/79/461901979.db2.gz GDZUQVWZXIXHRH-ILZDJORESA-N 2 0 344.499 3.118 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000650709587 461902476 /nfs/dbraw/zinc/90/24/76/461902476.db2.gz HACFIEHTMXNBIM-RXVVDRJESA-N 2 0 337.467 3.221 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1OCC(F)(F)F)C2 ZINC000650709336 461904101 /nfs/dbraw/zinc/90/41/01/461904101.db2.gz SMNRPRNKLHAKED-HOCLYGCPSA-N 2 0 328.378 3.189 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717548 461909014 /nfs/dbraw/zinc/90/90/14/461909014.db2.gz DZWAMSNLBLKGGA-CQSZACIVSA-N 2 0 343.446 3.354 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)c1 ZINC000650717789 461909739 /nfs/dbraw/zinc/90/97/39/461909739.db2.gz MJLRXWFCGNNIRK-HNNXBMFYSA-N 2 0 343.446 3.408 20 0 EGADRP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650722234 461914630 /nfs/dbraw/zinc/91/46/30/461914630.db2.gz NRTPMRGUXRYASW-NUJGCVRESA-N 2 0 338.879 3.209 20 0 EGADRP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)ccc2n1 ZINC000650723349 461915018 /nfs/dbraw/zinc/91/50/18/461915018.db2.gz MGWDQDKXGWKJIE-CEWLAPEOSA-N 2 0 339.483 3.404 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974968 461917364 /nfs/dbraw/zinc/91/73/64/461917364.db2.gz DRDZJZMQNOKIGO-OWCLPIDISA-N 2 0 349.906 3.379 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975091 461917467 /nfs/dbraw/zinc/91/74/67/461917467.db2.gz KROAWVIXSNPXCA-UHOSZYNNSA-N 2 0 343.515 3.288 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977078 461918784 /nfs/dbraw/zinc/91/87/84/461918784.db2.gz XRERDIUIJVBGKZ-RBUKOAKNSA-N 2 0 344.499 3.500 20 0 EGADRP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978277 461920388 /nfs/dbraw/zinc/92/03/88/461920388.db2.gz PGVWYYALQCHHPO-QZTJIDSGSA-N 2 0 340.471 3.257 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000650761705 461940254 /nfs/dbraw/zinc/94/02/54/461940254.db2.gz IJUYSVOOELPGPY-QGZVFWFLSA-N 2 0 332.879 3.142 20 0 EGADRP Cc1cc2cc(CN3CCOC4(CC[NH+](C)CC4)C3)oc2cc1C ZINC000648071588 461968270 /nfs/dbraw/zinc/96/82/70/461968270.db2.gz JSBXNQAJYZWTSR-UHFFFAOYSA-N 2 0 328.456 3.346 20 0 EGADRP C[NH+](C)CCc1ccc(C[NH2+]CCC(=O)Nc2ccccc2F)cc1 ZINC000644629872 462015936 /nfs/dbraw/zinc/01/59/36/462015936.db2.gz ZRAZSYXTBGIGIL-UHFFFAOYSA-N 2 0 343.446 3.048 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000657293705 462023024 /nfs/dbraw/zinc/02/30/24/462023024.db2.gz UBAQNNVICURQQG-ROUUACIJSA-N 2 0 334.504 3.454 20 0 EGADRP CC1CC[NH+](CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657294304 462023911 /nfs/dbraw/zinc/02/39/11/462023911.db2.gz MFBLINNICPXAHI-HXUWFJFHSA-N 2 0 332.488 3.066 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657298874 462026170 /nfs/dbraw/zinc/02/61/70/462026170.db2.gz XUKOCSTZAVVICN-UHFFFAOYSA-N 2 0 326.488 3.429 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657308101 462032604 /nfs/dbraw/zinc/03/26/04/462032604.db2.gz NILDPIXWPSFJLN-UHFFFAOYSA-N 2 0 326.488 3.428 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657310904 462034839 /nfs/dbraw/zinc/03/48/39/462034839.db2.gz RMSJYYHDGRDTGB-QGZVFWFLSA-N 2 0 338.499 3.351 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000648413185 462107369 /nfs/dbraw/zinc/10/73/69/462107369.db2.gz DXGFPICZVAABLO-ZCLUNYJNSA-N 2 0 346.515 3.343 20 0 EGADRP CCCc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c2ccccc2[nH+]1 ZINC000664598341 462119864 /nfs/dbraw/zinc/11/98/64/462119864.db2.gz HEQQRBKHBPIEED-SFHVURJKSA-N 2 0 339.483 3.223 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000657433513 462120257 /nfs/dbraw/zinc/12/02/57/462120257.db2.gz SOOPTSPGIZWCKM-ROUUACIJSA-N 2 0 334.504 3.454 20 0 EGADRP C[NH+](C)CC1(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CCCC1 ZINC000657436227 462122765 /nfs/dbraw/zinc/12/27/65/462122765.db2.gz UOIPWEDIJJQQHL-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP COCC1CCC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000657613712 462204026 /nfs/dbraw/zinc/20/40/26/462204026.db2.gz PTWHSUACERFJHM-UHFFFAOYSA-N 2 0 331.504 3.088 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cncc(F)c1 ZINC000657612617 462204041 /nfs/dbraw/zinc/20/40/41/462204041.db2.gz BHPQWBDZAOTTRH-HNNXBMFYSA-N 2 0 328.435 3.179 20 0 EGADRP C[C@@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000651406819 462216014 /nfs/dbraw/zinc/21/60/14/462216014.db2.gz PYYNVAMMMFCOMJ-DYVFJYSZSA-N 2 0 344.421 3.449 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccoc2)CC1 ZINC000657654645 462217594 /nfs/dbraw/zinc/21/75/94/462217594.db2.gz XEVVTKDKUKZSTJ-UHFFFAOYSA-N 2 0 333.863 3.017 20 0 EGADRP Cc1[nH]c2ncnc(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2c1C ZINC000645229016 462244165 /nfs/dbraw/zinc/24/41/65/462244165.db2.gz FOVGHDPWCCSQSE-HDICACEKSA-N 2 0 347.466 3.143 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(O)CCC(C)(C)CC2)cc1 ZINC000657738165 462245175 /nfs/dbraw/zinc/24/51/75/462245175.db2.gz KHWQGJIVTWCMBP-UHFFFAOYSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)CC[N@@H+]1C ZINC000648735474 462250971 /nfs/dbraw/zinc/25/09/71/462250971.db2.gz SFQCADWTGVFOCC-MBOZVWFJSA-N 2 0 343.515 3.017 20 0 EGADRP CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1(C)C ZINC000648742505 462256979 /nfs/dbraw/zinc/25/69/79/462256979.db2.gz VNEUFTMWIFBDPQ-HXUWFJFHSA-N 2 0 346.515 3.408 20 0 EGADRP COCCc1ccc(OC[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000667794346 462265962 /nfs/dbraw/zinc/26/59/62/462265962.db2.gz FIIQYQLBYAIUIA-QGZVFWFLSA-N 2 0 346.515 3.107 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc2ccncc2s1)N1CC[NH+](C)CC1 ZINC000657832018 462288534 /nfs/dbraw/zinc/28/85/34/462288534.db2.gz ICOLYSDZCBIGTE-DOTOQJQBSA-N 2 0 346.544 3.219 20 0 EGADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657833561 462288586 /nfs/dbraw/zinc/28/85/86/462288586.db2.gz AUKXJCLRWRUYBT-LJQANCHMSA-N 2 0 343.559 3.114 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000657839421 462291324 /nfs/dbraw/zinc/29/13/24/462291324.db2.gz UYAHJLAERIWVFK-SFHVURJKSA-N 2 0 342.487 3.228 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)cc1 ZINC000648842634 462301496 /nfs/dbraw/zinc/30/14/96/462301496.db2.gz VJIHLGBWOWOGKU-UHFFFAOYSA-N 2 0 334.504 3.048 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651750486 462324292 /nfs/dbraw/zinc/32/42/92/462324292.db2.gz KSRRERJNTRLZOC-UHFFFAOYSA-N 2 0 349.482 3.397 20 0 EGADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c2ccccc21 ZINC000665253827 462369817 /nfs/dbraw/zinc/36/98/17/462369817.db2.gz AMLJUBNPUJUZAT-HUYLIWGRSA-N 2 0 325.431 3.006 20 0 EGADRP CO[C@@](C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)COCc1ccccc1 ZINC000658131367 462396493 /nfs/dbraw/zinc/39/64/93/462396493.db2.gz CTELDPACBFPGNP-NRFANRHFSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658297907 462463955 /nfs/dbraw/zinc/46/39/55/462463955.db2.gz BOFYZDQIPRGQNS-AOIWGVFYSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649288373 462467600 /nfs/dbraw/zinc/46/76/00/462467600.db2.gz MZFLJZDNZLNEAI-INIZCTEOSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000645964473 462479914 /nfs/dbraw/zinc/47/99/14/462479914.db2.gz ZJMNGFULFDVQQK-YSIASYRMSA-N 2 0 345.531 3.400 20 0 EGADRP CC(C)C[C@@H](CNC(=O)CC1([NH3+])CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000645964369 462480132 /nfs/dbraw/zinc/48/01/32/462480132.db2.gz GSFVQIXSJAPOOG-AEFFLSMTSA-N 2 0 331.504 3.140 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(-n2cncn2)cc1 ZINC000183949717 533831187 /nfs/dbraw/zinc/83/11/87/533831187.db2.gz QKPYWMIZUVRTKP-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C[NH+]1CCCC1 ZINC000165275190 534125346 /nfs/dbraw/zinc/12/53/46/534125346.db2.gz VCZJAUNOHRIUIQ-HZPDHXFCSA-N 2 0 344.503 3.353 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000133202864 534129403 /nfs/dbraw/zinc/12/94/03/534129403.db2.gz XNMFWZWGAISODY-SIKLNZKXSA-N 2 0 342.527 3.407 20 0 EGADRP [NH3+]CC1(CC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCCCC1 ZINC000184224462 534589655 /nfs/dbraw/zinc/58/96/55/534589655.db2.gz ZMCXFCQIHOEDIU-LJQANCHMSA-N 2 0 343.515 3.239 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000133141097 534723114 /nfs/dbraw/zinc/72/31/14/534723114.db2.gz UJKRLSCFWZGYRO-SIKLNZKXSA-N 2 0 342.527 3.407 20 0 EGADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155122758 527783231 /nfs/dbraw/zinc/78/32/31/527783231.db2.gz LWRORWQQGKOBRS-MOPGFXCFSA-N 2 0 347.547 3.398 20 0 EGADRP CC1(C)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181917545 527868614 /nfs/dbraw/zinc/86/86/14/527868614.db2.gz GTSJDCRHYSFAQO-QRVBRYPASA-N 2 0 329.488 3.091 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184228378 528833883 /nfs/dbraw/zinc/83/38/83/528833883.db2.gz HLEQYZMOJCYQRX-UHFFFAOYSA-N 2 0 345.531 3.442 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000191456760 529041020 /nfs/dbraw/zinc/04/10/20/529041020.db2.gz HSOYSGRWSQGRMD-HXUWFJFHSA-N 2 0 333.495 3.379 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181944646 529143499 /nfs/dbraw/zinc/14/34/99/529143499.db2.gz SPEXLHSYMHCGHF-IBGZPJMESA-N 2 0 349.494 3.047 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246736162 535213429 /nfs/dbraw/zinc/21/34/29/535213429.db2.gz QETBHJSQMWVEPY-KURKYZTESA-N 2 0 337.552 3.218 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000338051046 535589439 /nfs/dbraw/zinc/58/94/39/535589439.db2.gz BVFONPBKFANVKF-KRWDZBQOSA-N 2 0 333.520 3.377 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)c2c1 ZINC000333866718 535833827 /nfs/dbraw/zinc/83/38/27/535833827.db2.gz REBINJYDBZAUTR-XLIONFOSSA-N 2 0 325.456 3.130 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000090943633 546661518 /nfs/dbraw/zinc/66/15/18/546661518.db2.gz LRRNYTISHGTMSJ-ZFWWWQNUSA-N 2 0 339.886 3.378 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563680 546685001 /nfs/dbraw/zinc/68/50/01/546685001.db2.gz LETFWLWQQPIRME-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP CCOC[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093839442 546687799 /nfs/dbraw/zinc/68/77/99/546687799.db2.gz QBGFLACPMHITOJ-LJQANCHMSA-N 2 0 332.488 3.020 20 0 EGADRP CCC[NH+]1CCC([NH2+]Cc2cc(N(C)C)nc3ccccc23)CC1 ZINC000154440422 546890666 /nfs/dbraw/zinc/89/06/66/546890666.db2.gz IJHVMBQCDOCRED-UHFFFAOYSA-N 2 0 326.488 3.265 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C1CC[NH+](C)CC1 ZINC000156777085 546914271 /nfs/dbraw/zinc/91/42/71/546914271.db2.gz JGTGWLHLZHWOJQ-CVEARBPZSA-N 2 0 329.488 3.194 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000158015160 546925134 /nfs/dbraw/zinc/92/51/34/546925134.db2.gz CDBMZGSCRNABNK-CABCVRRESA-N 2 0 337.458 3.111 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC000165881249 546985938 /nfs/dbraw/zinc/98/59/38/546985938.db2.gz OENGKZCPSXVAOC-QGZVFWFLSA-N 2 0 339.483 3.481 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000178378511 547037246 /nfs/dbraw/zinc/03/72/46/547037246.db2.gz IQZRVEVADWELHN-CJNGLKHVSA-N 2 0 326.481 3.309 20 0 EGADRP Cc1nc2ccccc2nc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179171522 547043924 /nfs/dbraw/zinc/04/39/24/547043924.db2.gz NXONGUMRGLEKOU-IERDGZPVSA-N 2 0 336.483 3.387 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CC2 ZINC000280113152 547370047 /nfs/dbraw/zinc/37/00/47/547370047.db2.gz NSOQJXPXBKTCSI-YJBOKZPZSA-N 2 0 332.488 3.401 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000324142399 547472090 /nfs/dbraw/zinc/47/20/90/547472090.db2.gz KRVNXQYXMDQOEO-KRWDZBQOSA-N 2 0 333.520 3.150 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+]CC(C)(C)N3CC[NH+](C)CC3)oc21 ZINC000327316085 547478829 /nfs/dbraw/zinc/47/88/29/547478829.db2.gz SPOKXXWXEFPGJD-OAHLLOKOSA-N 2 0 345.487 3.118 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339229431 547571554 /nfs/dbraw/zinc/57/15/54/547571554.db2.gz HSENUAHJDUETKR-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000353933089 547699593 /nfs/dbraw/zinc/69/95/93/547699593.db2.gz UTZMHACJCWWBHB-QQFBHYJXSA-N 2 0 349.485 3.359 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000358749089 547746561 /nfs/dbraw/zinc/74/65/61/547746561.db2.gz GETQCXASRARERE-GOSISDBHSA-N 2 0 332.488 3.403 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362517433 547769807 /nfs/dbraw/zinc/76/98/07/547769807.db2.gz ZSNWHMYIUTWWIQ-IBGZPJMESA-N 2 0 348.849 3.336 20 0 EGADRP CC[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+](CC)CC ZINC000362565879 547770114 /nfs/dbraw/zinc/77/01/14/547770114.db2.gz DLCAXIBTHDGBKS-CQSZACIVSA-N 2 0 331.382 3.223 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383508329 547821408 /nfs/dbraw/zinc/82/14/08/547821408.db2.gz KQZYVBBTRPMZRS-WFXMLNOXSA-N 3 0 329.532 3.217 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414933949 547861564 /nfs/dbraw/zinc/86/15/64/547861564.db2.gz XJNNLMWDVXSQOU-UPJWGTAASA-N 2 0 343.393 3.282 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000414936003 547861785 /nfs/dbraw/zinc/86/17/85/547861785.db2.gz YYWXVIYYJPAAOT-IKGGRYGDSA-N 2 0 338.879 3.257 20 0 EGADRP CC[C@@]1(C)COCC[NH+]1CCCCC[N@H+]1CCOC[C@]1(C)CC ZINC000535568237 548054379 /nfs/dbraw/zinc/05/43/79/548054379.db2.gz ZHYQKJSPJJTDHB-OALUTQOASA-N 2 0 326.525 3.159 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)NC2CCCC2)CC1 ZINC000671117625 548248977 /nfs/dbraw/zinc/24/89/77/548248977.db2.gz YNPGCBZBZIMLHY-UHFFFAOYSA-N 2 0 343.515 3.078 20 0 EGADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(C)c1F ZINC000675876784 548995947 /nfs/dbraw/zinc/99/59/47/548995947.db2.gz SOTDKPKYXDLJBH-FUHWJXTLSA-N 2 0 333.495 3.262 20 0 EGADRP COc1ccc(COCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000676712498 549134074 /nfs/dbraw/zinc/13/40/74/549134074.db2.gz JPTLXJGSFLZXCG-NQIIRXRSSA-N 2 0 344.499 3.161 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1F ZINC000677237868 549235160 /nfs/dbraw/zinc/23/51/60/549235160.db2.gz OLCPYZFOCMDGFD-PMPSAXMXSA-N 2 0 335.442 3.008 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCOc2ccc(F)cc2)cc1 ZINC000678127901 549404281 /nfs/dbraw/zinc/40/42/81/549404281.db2.gz JVQMXQGBLBXEMG-UHFFFAOYSA-N 2 0 346.446 3.277 20 0 EGADRP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000678276383 549455931 /nfs/dbraw/zinc/45/59/31/549455931.db2.gz HHDBCQWQOVITLX-RTBURBONSA-N 2 0 334.504 3.262 20 0 EGADRP CN(c1ccccc1C[N@H+](C)CCOC(C)(C)C)C1CC[NH+](C)CC1 ZINC000678284198 549459022 /nfs/dbraw/zinc/45/90/22/549459022.db2.gz SAENOBQZIMYBCF-UHFFFAOYSA-N 2 0 347.547 3.464 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000678295886 549463777 /nfs/dbraw/zinc/46/37/77/549463777.db2.gz KVHQMLDRZPATQY-IRLDBZIGSA-N 2 0 341.543 3.281 20 0 EGADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000678542147 549517082 /nfs/dbraw/zinc/51/70/82/549517082.db2.gz SXZRLEGNTSUMNK-GOSISDBHSA-N 2 0 333.520 3.070 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000678609531 549531072 /nfs/dbraw/zinc/53/10/72/549531072.db2.gz XJEOBSKUWXTLQH-WBMJQRKESA-N 2 0 330.394 3.059 20 0 EGADRP CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678733354 549550290 /nfs/dbraw/zinc/55/02/90/549550290.db2.gz IRPXYNIQOUPBLL-ICSRJNTNSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000678769650 549557181 /nfs/dbraw/zinc/55/71/81/549557181.db2.gz YLLBBDODTZLSMC-UWJYYQICSA-N 2 0 329.532 3.173 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000678929964 549597883 /nfs/dbraw/zinc/59/78/83/549597883.db2.gz SDMQXRCOEZUKKQ-QGZVFWFLSA-N 2 0 342.483 3.013 20 0 EGADRP C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C1CC[NH+](C)CC1 ZINC000680350580 549853844 /nfs/dbraw/zinc/85/38/44/549853844.db2.gz WQYUJVFOWGAHDE-CQSZACIVSA-N 2 0 346.450 3.128 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000680460729 549867998 /nfs/dbraw/zinc/86/79/98/549867998.db2.gz WOQYSHYXGVFRBX-GOSISDBHSA-N 2 0 335.923 3.333 20 0 EGADRP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681098754 549953900 /nfs/dbraw/zinc/95/39/00/549953900.db2.gz BYJQPKVBSRUXGY-IBGZPJMESA-N 2 0 335.923 3.249 20 0 EGADRP CN(c1ccccc1)c1ccc(C[NH2+]CCOCC[NH+](C)C)cc1 ZINC000682615280 550120694 /nfs/dbraw/zinc/12/06/94/550120694.db2.gz DFEGVAWVONVKEI-UHFFFAOYSA-N 2 0 327.472 3.122 20 0 EGADRP COCCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000684424030 550328828 /nfs/dbraw/zinc/32/88/28/550328828.db2.gz BTTOEPXHNRVSJC-UHFFFAOYSA-N 2 0 332.488 3.210 20 0 EGADRP CC(C)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000684554167 550342000 /nfs/dbraw/zinc/34/20/00/550342000.db2.gz XJHVIQBFDOQKHQ-SFHVURJKSA-N 2 0 339.474 3.278 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000684953596 550387785 /nfs/dbraw/zinc/38/77/85/550387785.db2.gz OYXXSWFWOWTYSU-IBGZPJMESA-N 2 0 325.456 3.189 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000685452505 550417727 /nfs/dbraw/zinc/41/77/27/550417727.db2.gz WNFOYBRORVJMDN-UHFFFAOYSA-N 2 0 339.483 3.402 20 0 EGADRP CC[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457575 550419243 /nfs/dbraw/zinc/41/92/43/550419243.db2.gz FGNCGRMMCMDTHX-WIYYLYMNSA-N 2 0 329.532 3.281 20 0 EGADRP C[NH+](C)CCOc1ccccc1CNc1cc[nH+]c2c(O)cccc12 ZINC000685905501 550453223 /nfs/dbraw/zinc/45/32/23/550453223.db2.gz YZHVIHVTYHWIPP-UHFFFAOYSA-N 2 0 337.423 3.493 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000729348138 574844973 /nfs/dbraw/zinc/84/49/73/574844973.db2.gz MFTITTNIOKOPOA-CEXWTWQISA-N 2 0 335.536 3.116 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734133124 575445440 /nfs/dbraw/zinc/44/54/40/575445440.db2.gz ASAZMKPIXYTVJI-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000678995990 576172436 /nfs/dbraw/zinc/17/24/36/576172436.db2.gz VTNYJXCJAQXTSE-CYBMUJFWSA-N 2 0 343.849 3.369 20 0 EGADRP COc1ccc(Cl)cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000742709520 576793793 /nfs/dbraw/zinc/79/37/93/576793793.db2.gz SEIDBWRNHYVFFK-GJZGRUSLSA-N 2 0 340.895 3.328 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000048779512 1291619386 /nfs/dbraw/zinc/61/93/86/1291619386.db2.gz VIRJPPUBPJQPKN-MRXNPFEDSA-N 2 0 342.487 3.297 20 0 EGADRP C[NH+]=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NC1CC1 ZINC000069673004 1292247907 /nfs/dbraw/zinc/24/79/07/1292247907.db2.gz PULFBSIHWRSOJA-UHFFFAOYSA-N 2 0 342.531 3.049 20 0 EGADRP C[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000079751263 1292573992 /nfs/dbraw/zinc/57/39/92/1292573992.db2.gz JKIKVUHEGIWGPM-LJQANCHMSA-N 2 0 329.532 3.363 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831088529 1292806774 /nfs/dbraw/zinc/80/67/74/1292806774.db2.gz CJKUBASXRWQYLI-BTRQGYIVSA-N 2 0 335.536 3.197 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2csc3ccccc23)CC1 ZINC000105451238 1293036275 /nfs/dbraw/zinc/03/62/75/1293036275.db2.gz FKKNZUPBDYDIJB-UHFFFAOYSA-N 2 0 331.529 3.265 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccco1 ZINC000834501517 1293106630 /nfs/dbraw/zinc/10/66/30/1293106630.db2.gz BVCYPRBGUJZBKC-MTQWCTHYSA-N 2 0 340.467 3.346 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000834792228 1293149536 /nfs/dbraw/zinc/14/95/36/1293149536.db2.gz HHSLRDNCUGWKIB-OBXNSHGQSA-N 2 0 343.515 3.203 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)cc1C[NH+]1CCCCC1 ZINC000834905845 1293172454 /nfs/dbraw/zinc/17/24/54/1293172454.db2.gz LWBLJRKILGRCKW-OXJNMPFZSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130726334 1293666823 /nfs/dbraw/zinc/66/68/23/1293666823.db2.gz XWPMVRUIVVUAFG-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)c1ncc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000131222371 1293683781 /nfs/dbraw/zinc/68/37/81/1293683781.db2.gz PNOSAAZHHJTYTL-UHFFFAOYSA-N 2 0 333.501 3.497 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000132952554 1293733347 /nfs/dbraw/zinc/73/33/47/1293733347.db2.gz VGLCBJSJBCKPJR-DLBZAZTESA-N 2 0 332.488 3.237 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[NH2+]C(C)(C)C ZINC000145129574 1293868138 /nfs/dbraw/zinc/86/81/38/1293868138.db2.gz OPRBOBYNZRHGBL-MRXNPFEDSA-N 2 0 331.504 3.065 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000161088659 1294284632 /nfs/dbraw/zinc/28/46/32/1294284632.db2.gz CWGSPYLTPRZWAI-NQIIRXRSSA-N 2 0 344.547 3.184 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]CCOC3CCCC3)CC2)cc1 ZINC000163269642 1294331726 /nfs/dbraw/zinc/33/17/26/1294331726.db2.gz FZAULIAELOYMHL-UHFFFAOYSA-N 2 0 331.504 3.270 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172799870 1294444568 /nfs/dbraw/zinc/44/45/68/1294444568.db2.gz BVEXQMBTLYGYHQ-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000187187706 1295373634 /nfs/dbraw/zinc/37/36/34/1295373634.db2.gz UIVCZWKBHHHJQK-QWHCGFSZSA-N 2 0 341.293 3.456 20 0 EGADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000870865592 1296121276 /nfs/dbraw/zinc/12/12/76/1296121276.db2.gz DSUVRADUIDEMLW-WBAXXEDZSA-N 2 0 349.906 3.111 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000870891722 1296131809 /nfs/dbraw/zinc/13/18/09/1296131809.db2.gz JGSVONFGWIUOHM-NBYUQASBSA-N 2 0 343.515 3.015 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000236718944 1296198588 /nfs/dbraw/zinc/19/85/88/1296198588.db2.gz VGRFIAFDPSKYGH-UHFFFAOYSA-N 2 0 332.488 3.306 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CCCCCC[NH3+])CC1 ZINC000236714178 1296198807 /nfs/dbraw/zinc/19/88/07/1296198807.db2.gz KVSYIDCBZOIEDB-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236823612 1296205342 /nfs/dbraw/zinc/20/53/42/1296205342.db2.gz MMJFMMGOFJNPLU-HXUWFJFHSA-N 2 0 345.531 3.125 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H](C)O1 ZINC000237404480 1296242068 /nfs/dbraw/zinc/24/20/68/1296242068.db2.gz RXNOYKWBHAMSQT-IAGOWNOFSA-N 2 0 346.515 3.379 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237520269 1296248161 /nfs/dbraw/zinc/24/81/61/1296248161.db2.gz BZGGJRBUNWLRQW-SQGPQFPESA-N 2 0 343.515 3.195 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)ccc1OC ZINC000250073308 1296453876 /nfs/dbraw/zinc/45/38/76/1296453876.db2.gz OGRZDQKQUAVQIP-ZOCIIQOWSA-N 2 0 334.504 3.347 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]Cc1cccc(C[NH3+])c1 ZINC000259050075 1296588507 /nfs/dbraw/zinc/58/85/07/1296588507.db2.gz QHFQWVZQRVJJQQ-UHFFFAOYSA-N 2 0 335.245 3.206 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000262547968 1296639272 /nfs/dbraw/zinc/63/92/72/1296639272.db2.gz NPNRYXBXCIYSJI-CWFSZBLJSA-N 2 0 339.483 3.262 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1)C1CCCC1 ZINC000872157834 1296775289 /nfs/dbraw/zinc/77/52/89/1296775289.db2.gz RJYGKEQCHYSOAN-QFBILLFUSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157386 1296776208 /nfs/dbraw/zinc/77/62/08/1296776208.db2.gz MZZMPYQKJRHLTB-GJYPPUQNSA-N 2 0 335.536 3.053 20 0 EGADRP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000310047165 1297083809 /nfs/dbraw/zinc/08/38/09/1297083809.db2.gz NURYCXVDUJSZMX-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000310877110 1297102296 /nfs/dbraw/zinc/10/22/96/1297102296.db2.gz HGKATPCYRWRQDW-GHTZIAJQSA-N 2 0 342.458 3.361 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)C[C@@H](c2ccccc2)C1 ZINC000326806541 1297241293 /nfs/dbraw/zinc/24/12/93/1297241293.db2.gz CKGFDNKBBRCMTE-OFOKGCAXSA-N 2 0 328.500 3.412 20 0 EGADRP c1c(C[NH2+]C2(c3ccccc3)CCOCC2)sc2c1C[NH2+]CC2 ZINC000873207305 1297351845 /nfs/dbraw/zinc/35/18/45/1297351845.db2.gz VBNKVQDYMJHENF-UHFFFAOYSA-N 2 0 328.481 3.189 20 0 EGADRP CN(c1ccccc1)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873208553 1297354006 /nfs/dbraw/zinc/35/40/06/1297354006.db2.gz WRJCZAWNADFNCV-UHFFFAOYSA-N 2 0 341.524 3.495 20 0 EGADRP COc1ccc(C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000873258126 1297393082 /nfs/dbraw/zinc/39/30/82/1297393082.db2.gz XCQSKVWXUBDOHE-HGHGUNKESA-N 2 0 340.467 3.315 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC[NH2+]CC1 ZINC000873270576 1297402010 /nfs/dbraw/zinc/40/20/10/1297402010.db2.gz XRJKOHLSGYRPTM-IUODEOHRSA-N 2 0 337.305 3.284 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000873278181 1297406109 /nfs/dbraw/zinc/40/61/09/1297406109.db2.gz ZYPIMXWWRPXSRC-MISYRCLQSA-N 2 0 342.483 3.324 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC(F)F)cc1 ZINC000873289359 1297411255 /nfs/dbraw/zinc/41/12/55/1297411255.db2.gz IAARVIOGNFKZNX-XJKSGUPXSA-N 2 0 340.414 3.097 20 0 EGADRP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293800 1297415883 /nfs/dbraw/zinc/41/58/83/1297415883.db2.gz PJIGQSXBAIUINE-KVZIAJEVSA-N 2 0 336.520 3.005 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(Br)cc1F)C1CC[NH+](C)CC1 ZINC000396455690 1297688826 /nfs/dbraw/zinc/68/88/26/1297688826.db2.gz MLMIKTAENTYAON-LLVKDONJSA-N 2 0 329.257 3.408 20 0 EGADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000398044895 1297712045 /nfs/dbraw/zinc/71/20/45/1297712045.db2.gz QYUPUJHWLTUZLS-WIYYLYMNSA-N 2 0 331.548 3.463 20 0 EGADRP CC(C)N(C)C[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323610 1297729721 /nfs/dbraw/zinc/72/97/21/1297729721.db2.gz AQMAABTYBHMQFX-JKSUJKDBSA-N 2 0 341.540 3.340 20 0 EGADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000453204790 1297892865 /nfs/dbraw/zinc/89/28/65/1297892865.db2.gz DFLWSRMQJHFWOA-UXHICEINSA-N 2 0 344.499 3.207 20 0 EGADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000493992932 1297948897 /nfs/dbraw/zinc/94/88/97/1297948897.db2.gz REGPLNTZOIZQHM-QZTJIDSGSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000687673517 1298119783 /nfs/dbraw/zinc/11/97/83/1298119783.db2.gz YMQYKYRWRSRLTB-VQHPVUNQSA-N 2 0 339.524 3.190 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700802417 1298180274 /nfs/dbraw/zinc/18/02/74/1298180274.db2.gz IWGRHKGUANXJBL-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000715187457 1298278704 /nfs/dbraw/zinc/27/87/04/1298278704.db2.gz WKDIGPJTMFAQLQ-KZYLPZIUSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000725858269 1298377322 /nfs/dbraw/zinc/37/73/22/1298377322.db2.gz NXKVAWKCSHAZQT-UHFFFAOYSA-N 2 0 340.496 3.494 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000876719177 1298935310 /nfs/dbraw/zinc/93/53/10/1298935310.db2.gz FJECPCGDZOGNES-CTNGQTDRSA-N 2 0 341.499 3.389 20 0 EGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H]1CS[C@@H](C)C1 ZINC000876828261 1299019035 /nfs/dbraw/zinc/01/90/35/1299019035.db2.gz PFSGFIMMYGQJAR-GJZGRUSLSA-N 2 0 335.517 3.143 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@]12CCCO2 ZINC000877076996 1299147605 /nfs/dbraw/zinc/14/76/05/1299147605.db2.gz SXQZVAGCVMCDOU-WFAGLZIHSA-N 2 0 336.520 3.100 20 0 EGADRP CSC(C)(C)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000877190398 1299201443 /nfs/dbraw/zinc/20/14/43/1299201443.db2.gz DJPVFMKSRSJYBK-GOSISDBHSA-N 2 0 336.545 3.265 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877448025 1299308812 /nfs/dbraw/zinc/30/88/12/1299308812.db2.gz CAVMWIXWNKHQHZ-YTQUADARSA-N 2 0 335.536 3.007 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CCCCC1 ZINC000877450366 1299310256 /nfs/dbraw/zinc/31/02/56/1299310256.db2.gz GESNBTBIEXGOAP-IEBWSBKVSA-N 2 0 349.563 3.432 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877452992 1299311689 /nfs/dbraw/zinc/31/16/89/1299311689.db2.gz UYFWGQIWMBNCKR-NTDBWNAOSA-N 2 0 335.536 3.005 20 0 EGADRP C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877519348 1299362051 /nfs/dbraw/zinc/36/20/51/1299362051.db2.gz XRHAZPYEOXOBQN-XYPWUTKMSA-N 2 0 339.524 3.094 20 0 EGADRP COCc1cc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000877697588 1299489721 /nfs/dbraw/zinc/48/97/21/1299489721.db2.gz OKSVPNWDMPUWSY-UHFFFAOYSA-N 2 0 343.471 3.213 20 0 EGADRP CC(C)(C)[C@]1(C[NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000877811637 1299573508 /nfs/dbraw/zinc/57/35/08/1299573508.db2.gz RTOOFXXFZZHQLB-ZJOUEHCJSA-N 2 0 330.516 3.285 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)CCO2 ZINC000878769258 1300183613 /nfs/dbraw/zinc/18/36/13/1300183613.db2.gz NQJUPSMIQJNOEF-PMACEKPBSA-N 2 0 344.499 3.093 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccnc(Br)c1)CC2 ZINC000879251456 1300453802 /nfs/dbraw/zinc/45/38/02/1300453802.db2.gz WRLAXJOCRRSQAX-UHFFFAOYSA-N 2 0 338.293 3.152 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000758204543 1300813476 /nfs/dbraw/zinc/81/34/76/1300813476.db2.gz VQYDOHFIJNMPRA-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CC1(C)CC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC(C)(C)[NH2+]1 ZINC000759049564 1301005790 /nfs/dbraw/zinc/00/57/90/1301005790.db2.gz OIXBVZROXFRWRO-HNNXBMFYSA-N 2 0 328.859 3.411 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(CC[NH+]4CCCC4)CC[C@H]32)cc1 ZINC000760848143 1301350657 /nfs/dbraw/zinc/35/06/57/1301350657.db2.gz SNRCKPQJDSHCJM-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000760895969 1301360254 /nfs/dbraw/zinc/36/02/54/1301360254.db2.gz BXWOUNJTWNYESZ-CVEARBPZSA-N 2 0 341.540 3.390 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC2CC(O)C2)cc1C[NH+]1CCCCC1 ZINC000762651696 1301723018 /nfs/dbraw/zinc/72/30/18/1301723018.db2.gz VTASQABVDSSJGL-VXESANQCSA-N 2 0 346.515 3.493 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1)CC(C)C ZINC000763732610 1301953062 /nfs/dbraw/zinc/95/30/62/1301953062.db2.gz LXENVLQXWQQURC-SFHVURJKSA-N 2 0 336.520 3.162 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000883084867 1302240105 /nfs/dbraw/zinc/24/01/05/1302240105.db2.gz CZJFTLUKPOMNQH-HIFRSBDPSA-N 2 0 330.428 3.129 20 0 EGADRP COc1ccc2c(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc[nH+]c2c1 ZINC000765456977 1302267539 /nfs/dbraw/zinc/26/75/39/1302267539.db2.gz ISIQGHKUDBAWRU-GJZGRUSLSA-N 2 0 329.444 3.155 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000765872600 1302343891 /nfs/dbraw/zinc/34/38/91/1302343891.db2.gz XKVBIXFGOQSBLN-FZMZJTMJSA-N 2 0 329.257 3.203 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883435406 1302443597 /nfs/dbraw/zinc/44/35/97/1302443597.db2.gz SDOJJGAHFSICHE-MJCUULBUSA-N 2 0 344.499 3.268 20 0 EGADRP C[C@@]1(O)CCC[NH+](CCCCCCCC[N@H+]2CCC[C@@](C)(O)C2)C1 ZINC000767024833 1302566892 /nfs/dbraw/zinc/56/68/92/1302566892.db2.gz AUIRDCKIZVWECU-WOJBJXKFSA-N 2 0 340.552 3.021 20 0 EGADRP c1cnc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000886526264 1303487276 /nfs/dbraw/zinc/48/72/76/1303487276.db2.gz ILFRKNXTYKJZGY-FQEVSTJZSA-N 2 0 337.467 3.333 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000886540331 1303492428 /nfs/dbraw/zinc/49/24/28/1303492428.db2.gz CTCPTTLPXPVEFJ-BIXGBWIQSA-N 2 0 341.499 3.179 20 0 EGADRP C[C@H]1CCCN(C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000774976070 1303885320 /nfs/dbraw/zinc/88/53/20/1303885320.db2.gz OXADCPIFCMEZRL-HNNXBMFYSA-N 2 0 327.513 3.001 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)ccc1OC ZINC000775377697 1303950213 /nfs/dbraw/zinc/95/02/13/1303950213.db2.gz DKSPBFGBFCRCOO-MLGOLLRUSA-N 2 0 348.409 3.111 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](CO)CC2CC2)cc1C[NH+]1CCCCC1 ZINC000775414730 1303960691 /nfs/dbraw/zinc/96/06/91/1303960691.db2.gz ITDWVOYAJISDNF-JXFKEZNVSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000775491843 1303972979 /nfs/dbraw/zinc/97/29/79/1303972979.db2.gz MEZNXMHQAWYSNQ-ZJOUEHCJSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000781885508 1304886516 /nfs/dbraw/zinc/88/65/16/1304886516.db2.gz QIQYOZJPKUBUIP-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000782192309 1304928776 /nfs/dbraw/zinc/92/87/76/1304928776.db2.gz ZNIJEGVDFFVDOS-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891670629 1305130445 /nfs/dbraw/zinc/13/04/45/1305130445.db2.gz ILUCXZGZAZSOBX-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000893018095 1305660907 /nfs/dbraw/zinc/66/09/07/1305660907.db2.gz DSSMOSRGONHFAT-IBGZPJMESA-N 2 0 344.455 3.153 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(CC)cc2)[C@@H](C)C1 ZINC000789385206 1306152439 /nfs/dbraw/zinc/15/24/39/1306152439.db2.gz XSSHSKAADXGGOI-YYWHXJBOSA-N 2 0 348.531 3.009 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895296373 1309274192 /nfs/dbraw/zinc/27/41/92/1309274192.db2.gz IDZTXFLOZMJNPE-OLZOCXBDSA-N 2 0 345.409 3.352 20 0 EGADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000895378562 1309307491 /nfs/dbraw/zinc/30/74/91/1309307491.db2.gz QZQMGIRLNJSSEQ-VQIMIIECSA-N 2 0 343.515 3.148 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)C2)cc1 ZINC000793207686 1309316735 /nfs/dbraw/zinc/31/67/35/1309316735.db2.gz RIZXEEAOYNEREL-MKXGPGLRSA-N 2 0 348.581 3.478 20 0 EGADRP C([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CCC2(CC1)OCCO2 ZINC000795937131 1309866220 /nfs/dbraw/zinc/86/62/20/1309866220.db2.gz VJUTXAVKUBJEJF-UHFFFAOYSA-N 2 0 336.520 3.306 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897537305 1310367888 /nfs/dbraw/zinc/36/78/88/1310367888.db2.gz SHUSMVYMZQSHLV-PMXSJFBMSA-N 2 0 330.516 3.428 20 0 EGADRP CC[C@@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000798526291 1310382356 /nfs/dbraw/zinc/38/23/56/1310382356.db2.gz CCWLZARXIKRVPK-PZJWPPBQSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CCO)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898170887 1310612636 /nfs/dbraw/zinc/61/26/36/1310612636.db2.gz NHMYCJCVRYVHDA-XMSQKQJNSA-N 2 0 338.495 3.222 20 0 EGADRP O=C(OCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000800173849 1310691412 /nfs/dbraw/zinc/69/14/12/1310691412.db2.gz KZTZGVHMVZDQST-SFHVURJKSA-N 2 0 348.462 3.067 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023761462 1319905338 /nfs/dbraw/zinc/90/53/38/1319905338.db2.gz AHWOSDGCESYRHN-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001019068603 1317031929 /nfs/dbraw/zinc/03/19/29/1317031929.db2.gz BESQYAAFPKNTKT-SFHVURJKSA-N 2 0 343.515 3.030 20 0 EGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900013545 1317217375 /nfs/dbraw/zinc/21/73/75/1317217375.db2.gz KPMQIYZARIRWKS-GVDBMIGSSA-N 2 0 347.528 3.018 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019632202 1317311290 /nfs/dbraw/zinc/31/12/90/1317311290.db2.gz DUNDWEDRFTZCOG-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001019774728 1317413207 /nfs/dbraw/zinc/41/32/07/1317413207.db2.gz FWUMGVNKCUAKCA-XLIONFOSSA-N 2 0 343.515 3.157 20 0 EGADRP CC(C)Oc1ccccc1-c1cc(CC[NH+]2CCC([NH3+])CC2)on1 ZINC000901398305 1317418834 /nfs/dbraw/zinc/41/88/34/1317418834.db2.gz OBTZLIGISYIKSV-UHFFFAOYSA-N 2 0 329.444 3.094 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605933 1317492736 /nfs/dbraw/zinc/49/27/36/1317492736.db2.gz QUEPABOCHSYRSH-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957635719 1317509863 /nfs/dbraw/zinc/50/98/63/1317509863.db2.gz HWELCVLVQNGFAU-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000902332283 1317564291 /nfs/dbraw/zinc/56/42/91/1317564291.db2.gz FBFTWKUKGMYBJK-UXHICEINSA-N 2 0 329.532 3.266 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cc2)CC1 ZINC000902385425 1317571093 /nfs/dbraw/zinc/57/10/93/1317571093.db2.gz UORZGGWCGIJVQC-SFHVURJKSA-N 3 0 345.531 3.027 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3cccc(C)c3)C2)CC[N@@H+]1C ZINC001020175364 1317574763 /nfs/dbraw/zinc/57/47/63/1317574763.db2.gz LRLSHNMSMGIMFB-ONSCTEFMSA-N 2 0 343.515 3.023 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502487 1317585056 /nfs/dbraw/zinc/58/50/56/1317585056.db2.gz MWODAQRGVBSHIS-BOLBYERCSA-N 2 0 330.472 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001020214329 1317595885 /nfs/dbraw/zinc/59/58/85/1317595885.db2.gz PVACDQSJCZYXPP-UAFMIMERSA-N 2 0 343.515 3.249 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020237868 1317603832 /nfs/dbraw/zinc/60/38/32/1317603832.db2.gz GQDPLBFZWILYND-UFYCRDLUSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](CC1CCCCC1)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000957776346 1317640148 /nfs/dbraw/zinc/64/01/48/1317640148.db2.gz HANZRKVSGVYCCZ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957778092 1317641122 /nfs/dbraw/zinc/64/11/22/1317641122.db2.gz OFDGYAFPDQISJL-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000957786359 1317644297 /nfs/dbraw/zinc/64/42/97/1317644297.db2.gz MQKXSGGXJZSIJP-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903091447 1317650897 /nfs/dbraw/zinc/65/08/97/1317650897.db2.gz UHEUVHCWWIEOHG-HOTGVXAUSA-N 2 0 339.524 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020340442 1317652247 /nfs/dbraw/zinc/65/22/47/1317652247.db2.gz PRLXMNTZRXQFNN-WFAGLZIHSA-N 2 0 349.563 3.170 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903104571 1317652862 /nfs/dbraw/zinc/65/28/62/1317652862.db2.gz WCERHEAPZMGGJK-DUZACMNTSA-N 2 0 330.472 3.210 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1ccc(OC)cc1 ZINC000903117340 1317656064 /nfs/dbraw/zinc/65/60/64/1317656064.db2.gz LKWYXGHRBSOWEB-QSUVIHHLSA-N 2 0 346.515 3.216 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903116328 1317656340 /nfs/dbraw/zinc/65/63/40/1317656340.db2.gz HCNTZWGIDCDOOE-QSUVIHHLSA-N 2 0 328.500 3.052 20 0 EGADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903115208 1317656355 /nfs/dbraw/zinc/65/63/55/1317656355.db2.gz ASUKCPBEOFNRPL-MAWREPJSSA-N 2 0 346.515 3.134 20 0 EGADRP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721893 1317724103 /nfs/dbraw/zinc/72/41/03/1317724103.db2.gz FWYFCSAGGSLFRW-INIZCTEOSA-N 2 0 342.405 3.296 20 0 EGADRP CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)c1cccc(OC)c1 ZINC000903723096 1317724250 /nfs/dbraw/zinc/72/42/50/1317724250.db2.gz SWDIKXSWYDPZMG-APWZRJJASA-N 2 0 332.488 3.237 20 0 EGADRP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903728718 1317725422 /nfs/dbraw/zinc/72/54/22/1317725422.db2.gz FIBXDCKUAJRIOX-KXBFYZLASA-N 2 0 336.907 3.475 20 0 EGADRP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734612 1317727205 /nfs/dbraw/zinc/72/72/05/1317727205.db2.gz SVMTVDZMSMPETP-LZQZEXGQSA-N 2 0 332.463 3.367 20 0 EGADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903740857 1317728648 /nfs/dbraw/zinc/72/86/48/1317728648.db2.gz ZYDULCNVFSAFGD-PMACEKPBSA-N 2 0 343.515 3.048 20 0 EGADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780762 1317732082 /nfs/dbraw/zinc/73/20/82/1317732082.db2.gz LDRJPTJZSCHZOL-DBXWQHBBSA-N 2 0 344.499 3.033 20 0 EGADRP [NH3+]CC1([C@@H]2CCCCN2Cc2nc(-c3ccccc3F)no2)CCC1 ZINC000903812386 1317736252 /nfs/dbraw/zinc/73/62/52/1317736252.db2.gz SGWLDHPUBHNXDC-INIZCTEOSA-N 2 0 344.434 3.359 20 0 EGADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC(C)(C)[C@@H](c3ccccc3)C2)n1 ZINC000903824419 1317737689 /nfs/dbraw/zinc/73/76/89/1317737689.db2.gz QHSDHPNWJHIQQZ-OAHLLOKOSA-N 2 0 328.460 3.279 20 0 EGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC(C)(C)[NH3+])c2)cc1 ZINC000903938507 1317751483 /nfs/dbraw/zinc/75/14/83/1317751483.db2.gz FEZKJEYTONDWNK-UHFFFAOYSA-N 2 0 341.455 3.165 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CNCc2cc(Br)cnc2Cl)C1 ZINC000858244997 1328721191 /nfs/dbraw/zinc/72/11/91/1328721191.db2.gz AGAZKYWCOHZHAV-NSHDSACASA-N 2 0 346.700 3.319 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001020591957 1317792290 /nfs/dbraw/zinc/79/22/90/1317792290.db2.gz XJNKYZIUTJVJKL-KZNAEPCWSA-N 2 0 343.515 3.025 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NCC1([NH3+])CC1)C1CCCCC1 ZINC000904278361 1317823141 /nfs/dbraw/zinc/82/31/41/1317823141.db2.gz UWADIOSELUQOEW-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904342693 1317834192 /nfs/dbraw/zinc/83/41/92/1317834192.db2.gz NQSDKSBAAJJBMA-FXAWDEMLSA-N 2 0 326.488 3.199 20 0 EGADRP C[C@H](CNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C[NH+]1CCCCC1 ZINC000904574976 1317864291 /nfs/dbraw/zinc/86/42/91/1317864291.db2.gz LZGVSOMXYVZEOU-OAHLLOKOSA-N 2 0 332.492 3.124 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000904606127 1317868336 /nfs/dbraw/zinc/86/83/36/1317868336.db2.gz VSKHSLNBVUHFLM-UHFFFAOYSA-N 2 0 344.503 3.363 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)Nc3ccccc3C[NH3+])CC2)CC1 ZINC000904650113 1317876213 /nfs/dbraw/zinc/87/62/13/1317876213.db2.gz ZNCIQGXACXKTDB-UHFFFAOYSA-N 2 0 344.503 3.310 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccccc1 ZINC000904665843 1317879628 /nfs/dbraw/zinc/87/96/28/1317879628.db2.gz OZNWCFGHFIOQBJ-IBGZPJMESA-N 2 0 340.471 3.350 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905044997 1317916536 /nfs/dbraw/zinc/91/65/36/1317916536.db2.gz HEPFWNRBYCDOQL-KSSFIOAISA-N 2 0 326.431 3.024 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2cncn2C)cc1C[NH+]1CCCCC1 ZINC000810242686 1317985798 /nfs/dbraw/zinc/98/57/98/1317985798.db2.gz HEQXTJTWERXAML-INIZCTEOSA-N 2 0 342.487 3.265 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)o1 ZINC001021118647 1318102024 /nfs/dbraw/zinc/10/20/24/1318102024.db2.gz MWAPHGIIOFDMHG-QAQDUYKDSA-N 2 0 347.503 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCC2)C1 ZINC001021358058 1318208644 /nfs/dbraw/zinc/20/86/44/1318208644.db2.gz XUYQFFBAYYMOMH-XUBOLADHSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC000960022023 1318317264 /nfs/dbraw/zinc/31/72/64/1318317264.db2.gz KLZYYQYBMPMLLE-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960033873 1318320251 /nfs/dbraw/zinc/32/02/51/1318320251.db2.gz URAZYWCRKPVENJ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC000960041620 1318324176 /nfs/dbraw/zinc/32/41/76/1318324176.db2.gz BHDPAKJMUGRIPG-VQTJNVASSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)[C@H](C)C1 ZINC000930001789 1328762123 /nfs/dbraw/zinc/76/21/23/1328762123.db2.gz WFHANCGDNFSCKR-UZLBHIALSA-N 2 0 340.515 3.463 20 0 EGADRP CC1(C)CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC000960214333 1318415992 /nfs/dbraw/zinc/41/59/92/1318415992.db2.gz AYXAKEYEVMSUMX-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960666478 1318784395 /nfs/dbraw/zinc/78/43/95/1318784395.db2.gz RJESQBFNTQJNJZ-ZWKOTPCHSA-N 2 0 349.544 3.045 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)c1ccccc1 ZINC001022069660 1318786476 /nfs/dbraw/zinc/78/64/76/1318786476.db2.gz NJKUSQWBXUAARB-WCIQWLHISA-N 2 0 343.515 3.247 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001022109872 1318797148 /nfs/dbraw/zinc/79/71/48/1318797148.db2.gz VAPUPKGFJKCNCG-ZGXWSNOMSA-N 2 0 349.563 3.314 20 0 EGADRP CC1(C)CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001022202504 1318840522 /nfs/dbraw/zinc/84/05/22/1318840522.db2.gz ZOKOBTGGJYSXCA-SCTDSRPQSA-N 2 0 347.547 3.066 20 0 EGADRP O[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000815061529 1318880183 /nfs/dbraw/zinc/88/01/83/1318880183.db2.gz YIHCQXVXWAUOPS-NRFANRHFSA-N 2 0 333.435 3.090 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022350387 1318902071 /nfs/dbraw/zinc/90/20/71/1318902071.db2.gz LLRYKGMHTXNRPN-ZCNNSNEGSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960811563 1318931074 /nfs/dbraw/zinc/93/10/74/1318931074.db2.gz BVYVCOBHNUHTDU-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@@H+]1C ZINC000960824925 1318951000 /nfs/dbraw/zinc/95/10/00/1318951000.db2.gz VVSRLXHHYWEMJN-WDSOQIARSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2=CCCCC2)CC[N@@H+]1C ZINC000960824885 1318951318 /nfs/dbraw/zinc/95/13/18/1318951318.db2.gz UXMRLZLCRJUPFL-YSIASYRMSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000960835659 1318966180 /nfs/dbraw/zinc/96/61/80/1318966180.db2.gz RHCAQXNTEPEIHN-RTBURBONSA-N 2 0 335.536 3.115 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000960843877 1318979718 /nfs/dbraw/zinc/97/97/18/1318979718.db2.gz LGXQHMCWVOCVQO-VQTJNVASSA-N 2 0 345.531 3.004 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3)C2)C1 ZINC001022585236 1319004103 /nfs/dbraw/zinc/00/41/03/1319004103.db2.gz LTMDEBDBYJMMSJ-MDNKFWRPSA-N 2 0 343.515 3.106 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000960862312 1319005770 /nfs/dbraw/zinc/00/57/70/1319005770.db2.gz PSSRIYJPKSTXKB-VQTJNVASSA-N 2 0 345.531 3.004 20 0 EGADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000815556900 1319013986 /nfs/dbraw/zinc/01/39/86/1319013986.db2.gz IABBFDXQVXQVGW-MRXNPFEDSA-N 2 0 342.462 3.132 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1c(C)cccc1C)[NH+](C)C ZINC000960883255 1319020160 /nfs/dbraw/zinc/02/01/60/1319020160.db2.gz PRPZJOFZYUACOU-ICSRJNTNSA-N 2 0 345.531 3.066 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001022807674 1319119151 /nfs/dbraw/zinc/11/91/51/1319119151.db2.gz KHNPDDIQQZIRPU-NXHRZFHOSA-N 2 0 349.544 3.058 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1nc(Br)cs1 ZINC000817585514 1319406089 /nfs/dbraw/zinc/40/60/89/1319406089.db2.gz FUCKBHQMSTWUEO-KPPDAEKUSA-N 2 0 332.311 3.429 20 0 EGADRP FC(F)(F)SCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817889133 1319450962 /nfs/dbraw/zinc/45/09/62/1319450962.db2.gz MQSSRGCTRDNEPG-JSGCOSHPSA-N 2 0 332.391 3.085 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000817894571 1319452826 /nfs/dbraw/zinc/45/28/26/1319452826.db2.gz MTIGXGCOICVRPX-JLTOFOAXSA-N 2 0 343.471 3.020 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817893510 1319453947 /nfs/dbraw/zinc/45/39/47/1319453947.db2.gz GDQHDUFATJOEJU-XRXFAXGQSA-N 2 0 346.515 3.408 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000817925120 1319462803 /nfs/dbraw/zinc/46/28/03/1319462803.db2.gz RMPMXHKCYJGHDM-OXHPOLQJSA-N 2 0 331.504 3.112 20 0 EGADRP COc1ccc([C@H](C)N[C@@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817940062 1319469014 /nfs/dbraw/zinc/46/90/14/1319469014.db2.gz CPTMNOJKKXNDCX-QFBILLFUSA-N 2 0 331.504 3.084 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817947850 1319473021 /nfs/dbraw/zinc/47/30/21/1319473021.db2.gz CSGQJGNOIHOKFP-MJGOQNOKSA-N 2 0 332.488 3.180 20 0 EGADRP COCc1cc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)ccc1OC ZINC000817947331 1319473229 /nfs/dbraw/zinc/47/32/29/1319473229.db2.gz CKCJJIJHVLFPOL-HNNXBMFYSA-N 2 0 328.456 3.194 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000817948889 1319473294 /nfs/dbraw/zinc/47/32/94/1319473294.db2.gz LZYRPGWZTHCLGW-PGRDOPGGSA-N 3 0 337.511 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023402156 1319509321 /nfs/dbraw/zinc/50/93/21/1319509321.db2.gz HDSPEJWPUFCOBZ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413924 1319515681 /nfs/dbraw/zinc/51/56/81/1319515681.db2.gz KYBCLUCJNGLNKZ-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@H]1CCC[N@H+](CC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001023413715 1319517099 /nfs/dbraw/zinc/51/70/99/1319517099.db2.gz IBIGQZKFHWNBLI-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414513 1319519497 /nfs/dbraw/zinc/51/94/97/1319519497.db2.gz VASGPSZZZLJEFD-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000961368122 1319524001 /nfs/dbraw/zinc/52/40/01/1319524001.db2.gz QRTLIIIPYALFJK-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](CCC)C2)CC1 ZINC000961368120 1319524707 /nfs/dbraw/zinc/52/47/07/1319524707.db2.gz QRTLIIIPYALFJK-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+](CC)C3)CC2)C1 ZINC000961397239 1319552532 /nfs/dbraw/zinc/55/25/32/1319552532.db2.gz SKPXSUMTTIECNK-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000961410711 1319566362 /nfs/dbraw/zinc/56/63/62/1319566362.db2.gz CUUYVANVGYLIEE-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961417913 1319575996 /nfs/dbraw/zinc/57/59/96/1319575996.db2.gz VMRDNUXQPWOXBJ-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000961433729 1319587032 /nfs/dbraw/zinc/58/70/32/1319587032.db2.gz BUHBJBGRLWGRAN-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961434350 1319587099 /nfs/dbraw/zinc/58/70/99/1319587099.db2.gz FJMQSRMMBRDQFR-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000818961185 1319592338 /nfs/dbraw/zinc/59/23/38/1319592338.db2.gz NYGOZFQDOLSSIV-ZRGWGRIASA-N 2 0 340.458 3.346 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000818968631 1319595320 /nfs/dbraw/zinc/59/53/20/1319595320.db2.gz DAMJRDOGDACTAK-YOEHRIQHSA-N 2 0 344.421 3.450 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000818967359 1319595501 /nfs/dbraw/zinc/59/55/01/1319595501.db2.gz UFDMMCNQYWSGFC-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818984422 1319605708 /nfs/dbraw/zinc/60/57/08/1319605708.db2.gz HBIJUPCSUNIUQI-YOEHRIQHSA-N 2 0 344.421 3.449 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000818989578 1319608342 /nfs/dbraw/zinc/60/83/42/1319608342.db2.gz NYNYFABZMBBXGQ-INIZCTEOSA-N 2 0 330.394 3.060 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000819080042 1319630123 /nfs/dbraw/zinc/63/01/23/1319630123.db2.gz DDSCLGUGSMCJOQ-HZPDHXFCSA-N 2 0 330.875 3.469 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000819102662 1319635820 /nfs/dbraw/zinc/63/58/20/1319635820.db2.gz NRSHBGPADYXMLS-SWLSCSKDSA-N 2 0 348.409 3.185 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819366004 1319710583 /nfs/dbraw/zinc/71/05/83/1319710583.db2.gz GMQCIODVXKDUAR-LRDDRELGSA-N 2 0 331.287 3.348 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023632246 1319753627 /nfs/dbraw/zinc/75/36/27/1319753627.db2.gz HVKWFUWOPZXSTE-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000961924028 1319775037 /nfs/dbraw/zinc/77/50/37/1319775037.db2.gz KFTKXPPUNKTXFX-SOAGJPPSSA-N 2 0 347.547 3.234 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000917394825 1319798865 /nfs/dbraw/zinc/79/88/65/1319798865.db2.gz QDAXKEHNSKERGB-UHFFFAOYSA-N 2 0 337.511 3.471 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820809508 1319957543 /nfs/dbraw/zinc/95/75/43/1319957543.db2.gz CHGIHOOMHZFSOD-OSYNSWQESA-N 2 0 328.500 3.465 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000820810140 1319958647 /nfs/dbraw/zinc/95/86/47/1319958647.db2.gz PQSJBIOTRSRWCS-AZUAARDMSA-N 2 0 341.499 3.097 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000822659367 1320109540 /nfs/dbraw/zinc/10/95/40/1320109540.db2.gz PKDRKISHCRLYDX-SJORKVTESA-N 2 0 326.444 3.188 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@@H]([NH3+])C1CC1)C1CCCCC1 ZINC000827498220 1320457118 /nfs/dbraw/zinc/45/71/18/1320457118.db2.gz GZQCZPBBOVXWTJ-HXUWFJFHSA-N 2 0 343.515 3.195 20 0 EGADRP CC(C)n1cc2c(n1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000839014191 1320850629 /nfs/dbraw/zinc/85/06/29/1320850629.db2.gz ZRDOXVXBJWBOGJ-IBGZPJMESA-N 2 0 339.487 3.495 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000841006427 1321198610 /nfs/dbraw/zinc/19/86/10/1321198610.db2.gz KMAXRHYPHPMYJM-VCBZYWHSSA-N 2 0 336.907 3.474 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000841006425 1321198686 /nfs/dbraw/zinc/19/86/86/1321198686.db2.gz KMAXRHYPHPMYJM-CLCXKQKWSA-N 2 0 336.907 3.474 20 0 EGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032228 1321204058 /nfs/dbraw/zinc/20/40/58/1321204058.db2.gz PNTDEVPVBKTTAE-INIZCTEOSA-N 2 0 325.456 3.003 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1O ZINC000841033706 1321205558 /nfs/dbraw/zinc/20/55/58/1321205558.db2.gz UKWRWHZAUZNVLA-HNNXBMFYSA-N 2 0 328.456 3.013 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474052 1321393735 /nfs/dbraw/zinc/39/37/35/1321393735.db2.gz CFIXVYMVBHVEAE-QAPCUYQASA-N 2 0 326.440 3.065 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000842478208 1321394586 /nfs/dbraw/zinc/39/45/86/1321394586.db2.gz HHBNSPHTTHLRCZ-UHFFFAOYSA-N 2 0 326.488 3.266 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000842694832 1321420453 /nfs/dbraw/zinc/42/04/53/1321420453.db2.gz RVPHUOWWGROKJL-KRWDZBQOSA-N 2 0 344.503 3.446 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000843047698 1321461108 /nfs/dbraw/zinc/46/11/08/1321461108.db2.gz WKWCYMYQJMFBTO-UHFFFAOYSA-N 2 0 332.879 3.064 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(-c2nc(C3CC[NH2+]CC3)no2)cc1 ZINC000843139269 1321476357 /nfs/dbraw/zinc/47/63/57/1321476357.db2.gz SCILRJCPPHCLFT-UHFFFAOYSA-N 2 0 328.460 3.436 20 0 EGADRP CC[C@@]1([NH2+]CC[Si](C)(C)CC[NH2+][C@]2(CC)CCOC2)CCOC1 ZINC000859276072 1328959350 /nfs/dbraw/zinc/95/93/50/1328959350.db2.gz GGWMYGTVPCKFMV-QZTJIDSGSA-N 2 0 342.600 3.012 20 0 EGADRP [NH3+]C[C@@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)c1ccccc1 ZINC000843173687 1321481959 /nfs/dbraw/zinc/48/19/59/1321481959.db2.gz QVURBABYQYXQOM-LJQANCHMSA-N 2 0 348.450 3.423 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000843342409 1321502786 /nfs/dbraw/zinc/50/27/86/1321502786.db2.gz QGNCFQYVTNUULG-PWRODBHTSA-N 3 0 329.532 3.396 20 0 EGADRP Cc1cc2oc(=O)cc(C[NH+]3CCC(C[NH3+])CC3)c2cc1C(C)C ZINC000843345152 1321502927 /nfs/dbraw/zinc/50/29/27/1321502927.db2.gz VZFJENCAGCWRSD-UHFFFAOYSA-N 2 0 328.456 3.396 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000962534878 1321990474 /nfs/dbraw/zinc/99/04/74/1321990474.db2.gz AYXMCFIUCATCCO-LMDPOFIKSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(Cl)c1 ZINC000849064780 1322064517 /nfs/dbraw/zinc/06/45/17/1322064517.db2.gz HGEIUOIEXWCWOW-INIZCTEOSA-N 2 0 336.911 3.216 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])NCCc1ccccc1)c1ccccc1 ZINC000849101165 1322078579 /nfs/dbraw/zinc/07/85/79/1322078579.db2.gz RDVVPWBFKPKZTK-KRWDZBQOSA-N 2 0 338.499 3.472 20 0 EGADRP C[C@@H](CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000849102777 1322079519 /nfs/dbraw/zinc/07/95/19/1322079519.db2.gz UOOJBIRILIEQRO-QWRGUYRKSA-N 2 0 331.291 3.366 20 0 EGADRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849107711 1322081263 /nfs/dbraw/zinc/08/12/63/1322081263.db2.gz MNHFVIRVTXSFHQ-CRAIPNDOSA-N 2 0 334.508 3.493 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[NH+]1CCC(C)CC1 ZINC000930910994 1329003536 /nfs/dbraw/zinc/00/35/36/1329003536.db2.gz KJELFWJVIBCCRC-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CCc1ccc([C@H](CNC(=O)CCCC[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000920767763 1322220034 /nfs/dbraw/zinc/22/00/34/1322220034.db2.gz FYJVNBPUCUTOOR-FQEVSTJZSA-N 2 0 345.531 3.234 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850558229 1322267237 /nfs/dbraw/zinc/26/72/37/1322267237.db2.gz QUUCRGYNPRBAPC-MRXNPFEDSA-N 2 0 331.287 3.491 20 0 EGADRP Cc1nn(C)c(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1Cl ZINC000921545564 1322347240 /nfs/dbraw/zinc/34/72/40/1322347240.db2.gz YCMCYOPWVZDJMX-OKILXGFUSA-N 2 0 326.916 3.230 20 0 EGADRP CCCC[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032915 1329033938 /nfs/dbraw/zinc/03/39/38/1329033938.db2.gz BXNCMBNFLBBHAA-INIZCTEOSA-N 2 0 336.520 3.493 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000923321629 1322733986 /nfs/dbraw/zinc/73/39/86/1322733986.db2.gz GIUOLQKRRRIQSG-VKEMMKHGSA-N 3 0 333.564 3.351 20 0 EGADRP Cc1ccnc(NC[C@@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923326583 1322735035 /nfs/dbraw/zinc/73/50/35/1322735035.db2.gz MMPVTWKBLQOYLC-HRVKUGKESA-N 2 0 328.504 3.045 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001023995220 1323067836 /nfs/dbraw/zinc/06/78/36/1323067836.db2.gz LGNQNTLBZCLZPW-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924658779 1323099259 /nfs/dbraw/zinc/09/92/59/1323099259.db2.gz MOTXPRGEHOJBAQ-MRXNPFEDSA-N 2 0 329.488 3.419 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc2c1OCO2 ZINC000924703606 1323121719 /nfs/dbraw/zinc/12/17/19/1323121719.db2.gz GGRRIDHUAYIOIZ-OAHLLOKOSA-N 2 0 342.439 3.207 20 0 EGADRP COc1ccccc1[C@H]([NH2+]CCCCn1ccnc1)c1ccccn1 ZINC000924731122 1323137864 /nfs/dbraw/zinc/13/78/64/1323137864.db2.gz HYGYTKMTHPWCKZ-FQEVSTJZSA-N 2 0 336.439 3.446 20 0 EGADRP CC(C)n1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000924780028 1323160799 /nfs/dbraw/zinc/16/07/99/1323160799.db2.gz GQQUEPMWDHVUOG-QGZVFWFLSA-N 2 0 341.503 3.422 20 0 EGADRP C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708492 1323229834 /nfs/dbraw/zinc/22/98/34/1323229834.db2.gz CCSUYHFIFRCCMU-DYVFJYSZSA-N 2 0 342.405 3.297 20 0 EGADRP CC1(C)CCC(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001024268739 1323246760 /nfs/dbraw/zinc/24/67/60/1323246760.db2.gz YTXRZOAIPBPMRE-IBGZPJMESA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1)[NH+]1CCCCC1 ZINC001024278291 1323256575 /nfs/dbraw/zinc/25/65/75/1323256575.db2.gz JGPKWCOUWIFBOI-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925058307 1323259997 /nfs/dbraw/zinc/25/99/97/1323259997.db2.gz XSNCGOUNVWMNJP-UWJYYQICSA-N 2 0 345.531 3.042 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCCC1 ZINC001024365952 1323338418 /nfs/dbraw/zinc/33/84/18/1323338418.db2.gz KXKICFMQUIFEMS-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024365803 1323339124 /nfs/dbraw/zinc/33/91/24/1323339124.db2.gz HYXRFYMGIOZPEF-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024437641 1323398314 /nfs/dbraw/zinc/39/83/14/1323398314.db2.gz UKFJWWYOMWKSRX-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024469231 1323425263 /nfs/dbraw/zinc/42/52/63/1323425263.db2.gz QHJQIMAVDSJXAT-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479152 1323431764 /nfs/dbraw/zinc/43/17/64/1323431764.db2.gz AOEDDZKKHBCTGA-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CC(C)C2)CC1 ZINC001024740029 1323639553 /nfs/dbraw/zinc/63/95/53/1323639553.db2.gz GXVQLUGAGYWXRF-AFMYVXGZSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001024978897 1323810961 /nfs/dbraw/zinc/81/09/61/1323810961.db2.gz JCXIBZSCCRZPMG-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001024982385 1323812134 /nfs/dbraw/zinc/81/21/34/1323812134.db2.gz NVWUKPQFOASWQD-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001024982140 1323812547 /nfs/dbraw/zinc/81/25/47/1323812547.db2.gz GESKZCOMRGGWPF-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)CCC1 ZINC001024982730 1323812951 /nfs/dbraw/zinc/81/29/51/1323812951.db2.gz ZSHXITKNQYPESI-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001024983405 1323813416 /nfs/dbraw/zinc/81/34/16/1323813416.db2.gz QPSDVFRSHYOIAV-FXAWDEMLSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024984918 1323813479 /nfs/dbraw/zinc/81/34/79/1323813479.db2.gz KLZYYQYBMPMLLE-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)CCC1 ZINC001024982676 1323813672 /nfs/dbraw/zinc/81/36/72/1323813672.db2.gz XNWMNQIQGKHMAJ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(C)c(NC(=O)CCC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000931437231 1329117421 /nfs/dbraw/zinc/11/74/21/1329117421.db2.gz FDBUYBPOLJXITH-MOPGFXCFSA-N 2 0 343.515 3.214 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001025168669 1323937224 /nfs/dbraw/zinc/93/72/24/1323937224.db2.gz SKXQXAHMENXLJZ-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001025168398 1323937662 /nfs/dbraw/zinc/93/76/62/1323937662.db2.gz BXKLHYANEPDHCR-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025248096 1324048863 /nfs/dbraw/zinc/04/88/63/1324048863.db2.gz VJZMMESZEPDZPL-OALUTQOASA-N 2 0 347.547 3.260 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259053 1324069177 /nfs/dbraw/zinc/06/91/77/1324069177.db2.gz NDJDLUBJYGWOTI-QZTJIDSGSA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025286293 1324107487 /nfs/dbraw/zinc/10/74/87/1324107487.db2.gz IOUYTZIZVLIYNB-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001025295672 1324126658 /nfs/dbraw/zinc/12/66/58/1324126658.db2.gz QAJGRPSYOYHGGN-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453698 1324294948 /nfs/dbraw/zinc/29/49/48/1324294948.db2.gz SUKBDFUHXFAYQP-OALUTQOASA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557240 1324406455 /nfs/dbraw/zinc/40/64/55/1324406455.db2.gz FPRSSOKNVFQAKK-XLIONFOSSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630796 1324483131 /nfs/dbraw/zinc/48/31/31/1324483131.db2.gz WMXBVJQXADHLEV-QZTJIDSGSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026503495 1324853477 /nfs/dbraw/zinc/85/34/77/1324853477.db2.gz WZBXEQYPTCSKSM-CTWPCTMYSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001026549303 1324886323 /nfs/dbraw/zinc/88/63/23/1324886323.db2.gz IHGBYPVRDPOJKJ-FLODPWGTSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026561413 1324896694 /nfs/dbraw/zinc/89/66/94/1324896694.db2.gz ZVBVWJGLBPHNQE-KKXNLOMOSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000925307895 1325119552 /nfs/dbraw/zinc/11/95/52/1325119552.db2.gz ONIAGWPNMHWQDE-UHFFFAOYSA-N 2 0 345.531 3.435 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001027017672 1325157432 /nfs/dbraw/zinc/15/74/32/1325157432.db2.gz ZJOSOESIDRBTPN-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000925501874 1325181363 /nfs/dbraw/zinc/18/13/63/1325181363.db2.gz FBXAWRDJQCTNMN-GOSISDBHSA-N 2 0 326.440 3.070 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925512978 1325185679 /nfs/dbraw/zinc/18/56/79/1325185679.db2.gz GOLJJFGJUXWVSN-ROUUACIJSA-N 2 0 333.907 3.164 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+]C34CCCC4)CC2)c1 ZINC000925533197 1325195583 /nfs/dbraw/zinc/19/55/83/1325195583.db2.gz YSORHLGQURJWGK-SFHVURJKSA-N 3 0 333.545 3.224 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556078 1325207225 /nfs/dbraw/zinc/20/72/25/1325207225.db2.gz JTLXPDMOSMBOPR-PPLKHSGQSA-N 2 0 327.516 3.003 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027103902 1325229072 /nfs/dbraw/zinc/22/90/72/1325229072.db2.gz IFPYNWYWXLPGSO-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CCC([NH2+]CCC3CC3)CC2)C1 ZINC000963420061 1325230112 /nfs/dbraw/zinc/23/01/12/1325230112.db2.gz GJEYHVNBEZXPOU-XEVCZEQESA-N 2 0 349.563 3.124 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925625527 1325236247 /nfs/dbraw/zinc/23/62/47/1325236247.db2.gz IQAQHTJYNOZCSF-HZMVEIRTSA-N 2 0 337.870 3.084 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000925652514 1325248308 /nfs/dbraw/zinc/24/83/08/1325248308.db2.gz QJAOTLFHJMVVDO-SYOGBVCQSA-N 2 0 346.490 3.005 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)OC)c1 ZINC000925719714 1325269708 /nfs/dbraw/zinc/26/97/08/1325269708.db2.gz BZXFLRFHDOGZOS-UXHICEINSA-N 2 0 328.456 3.453 20 0 EGADRP c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925808944 1325309897 /nfs/dbraw/zinc/30/98/97/1325309897.db2.gz OQORHLGRWYOBOP-IBGZPJMESA-N 2 0 341.524 3.321 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1 ZINC000925830230 1325319326 /nfs/dbraw/zinc/31/93/26/1325319326.db2.gz COYKOCDVXHMMIP-HZPDHXFCSA-N 2 0 329.410 3.083 20 0 EGADRP CCSc1ccccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925829686 1325320321 /nfs/dbraw/zinc/32/03/21/1325320321.db2.gz ATVXRBUWHKIITD-KZNAEPCWSA-N 2 0 334.529 3.088 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000963600141 1325338907 /nfs/dbraw/zinc/33/89/07/1325338907.db2.gz YQVFLKZGTJUBLX-UHFFFAOYSA-N 2 0 328.460 3.026 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963623948 1325346087 /nfs/dbraw/zinc/34/60/87/1325346087.db2.gz JJEBGDZTUBSKLZ-UHFFFAOYSA-N 2 0 347.547 3.164 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963788930 1325400048 /nfs/dbraw/zinc/40/00/48/1325400048.db2.gz UKBGGLQNCLEGHM-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000963902605 1325428672 /nfs/dbraw/zinc/42/86/72/1325428672.db2.gz NVYXDXXVDLJBBB-KKXNLOMOSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](CC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000926144286 1325446438 /nfs/dbraw/zinc/44/64/38/1325446438.db2.gz OBXBRSGRALTEHY-GTPINHCMSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926248385 1325490990 /nfs/dbraw/zinc/49/09/90/1325490990.db2.gz ANKHDBQLZROXKY-UTKZUKDTSA-N 2 0 326.484 3.311 20 0 EGADRP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926279834 1325501336 /nfs/dbraw/zinc/50/13/36/1325501336.db2.gz UZPPTTQVICKTPX-GJZGRUSLSA-N 2 0 335.492 3.312 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC[NH+](C)CC1 ZINC000926449269 1325559351 /nfs/dbraw/zinc/55/93/51/1325559351.db2.gz SKQMGYBECGLBDW-INIZCTEOSA-N 3 0 335.561 3.226 20 0 EGADRP OCC1(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000926535034 1325589586 /nfs/dbraw/zinc/58/95/86/1325589586.db2.gz KSTXORZBWKILLV-IHWFROFDSA-N 2 0 328.500 3.324 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411117 1327636561 /nfs/dbraw/zinc/63/65/61/1327636561.db2.gz MRQQSOBHVRHUHU-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP Clc1ccnc2c1CC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926673356 1327660263 /nfs/dbraw/zinc/66/02/63/1327660263.db2.gz AQEIGBDMYGVSNP-SFHVURJKSA-N 2 0 349.906 3.203 20 0 EGADRP Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001027562324 1327883007 /nfs/dbraw/zinc/88/30/07/1327883007.db2.gz MURAMKUOLSYQOG-VQTJNVASSA-N 2 0 345.531 3.004 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCC3=CCCCC3)C2)C1 ZINC001027576633 1327914567 /nfs/dbraw/zinc/91/45/67/1327914567.db2.gz SPJDKIQIWPGOEB-QUCCMNQESA-N 2 0 347.547 3.142 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CC3=CCCCC3)C2)CC1 ZINC001027628487 1327991949 /nfs/dbraw/zinc/99/19/49/1327991949.db2.gz CRWICTRNOONZCG-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680654 1328077619 /nfs/dbraw/zinc/07/76/19/1328077619.db2.gz IKNLGPOINRVPKI-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027693467 1328099372 /nfs/dbraw/zinc/09/93/72/1328099372.db2.gz ZCEKXUXBVUUARC-LJQANCHMSA-N 2 0 343.515 3.085 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027971833 1328445283 /nfs/dbraw/zinc/44/52/83/1328445283.db2.gz MWTNCVBQYJPKHP-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982637 1328455729 /nfs/dbraw/zinc/45/57/29/1328455729.db2.gz SRSDOWQXALPSHX-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001028003028 1328465298 /nfs/dbraw/zinc/46/52/98/1328465298.db2.gz KGYAPGQYXPPWFJ-GOSISDBHSA-N 2 0 338.455 3.029 20 0 EGADRP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000862481882 1329489493 /nfs/dbraw/zinc/48/94/93/1329489493.db2.gz APACTFOIBBWTRT-GIVPXCGWSA-N 2 0 329.532 3.219 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865413598 1329693828 /nfs/dbraw/zinc/69/38/28/1329693828.db2.gz PLGBJIWQXAMVPC-UHFFFAOYSA-N 2 0 347.547 3.371 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000865484477 1329704009 /nfs/dbraw/zinc/70/40/09/1329704009.db2.gz XOXOZFWNISIYOK-ROUUACIJSA-N 2 0 331.504 3.126 20 0 EGADRP Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865600366 1329718341 /nfs/dbraw/zinc/71/83/41/1329718341.db2.gz KYSFFVXTEHELSF-CQSZACIVSA-N 2 0 348.441 3.187 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000865715266 1329731947 /nfs/dbraw/zinc/73/19/47/1329731947.db2.gz NAXQNAJCZWXHSU-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000865717184 1329732129 /nfs/dbraw/zinc/73/21/29/1329732129.db2.gz RMURTIBTPMLRSE-UHFFFAOYSA-N 2 0 344.547 3.146 20 0 EGADRP CCC1([NH+]2CCOCC2)CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865973955 1329755878 /nfs/dbraw/zinc/75/58/78/1329755878.db2.gz LDUBMEASECVKPR-UHFFFAOYSA-N 2 0 343.393 3.182 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC000932481681 1329817655 /nfs/dbraw/zinc/81/76/55/1329817655.db2.gz ZIEWFWRNJKNAHL-LJQANCHMSA-N 2 0 331.504 3.016 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700792 1329835196 /nfs/dbraw/zinc/83/51/96/1329835196.db2.gz BAPQJFMPGRJLKB-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868176987 1330258989 /nfs/dbraw/zinc/25/89/89/1330258989.db2.gz KUJSHVZTEJVSSL-RBUKOAKNSA-N 2 0 344.503 3.231 20 0 EGADRP CC(C)c1nccn1CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC000941068717 1331318663 /nfs/dbraw/zinc/31/86/63/1331318663.db2.gz STMSNALZBAGEAM-QGZVFWFLSA-N 2 0 346.519 3.023 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943516764 1332192070 /nfs/dbraw/zinc/19/20/70/1332192070.db2.gz MQKFFPVICLVFMF-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944919969 1332454431 /nfs/dbraw/zinc/45/44/31/1332454431.db2.gz RNHCFDUWRZAZPJ-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902372 1332928273 /nfs/dbraw/zinc/92/82/73/1332928273.db2.gz MOLVUSHEXLLRRL-ZRNYENFQSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCC(C)(C)C ZINC000947438092 1333127730 /nfs/dbraw/zinc/12/77/30/1333127730.db2.gz UKXGPGFLLNFMCY-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CCCCC1 ZINC000947498571 1333148058 /nfs/dbraw/zinc/14/80/58/1333148058.db2.gz WBHBBBPZIFXLKJ-PKOBYXMFSA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569390 1333175453 /nfs/dbraw/zinc/17/54/53/1333175453.db2.gz XFZPFHQPWFXFRI-HKUYNNGSSA-N 2 0 345.531 3.174 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947800190 1333265414 /nfs/dbraw/zinc/26/54/14/1333265414.db2.gz GPTCYAFRHJNUTL-XLIONFOSSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055446 1333357238 /nfs/dbraw/zinc/35/72/38/1333357238.db2.gz CEJZLTAGJCYIQJ-FXAWDEMLSA-N 2 0 345.531 3.377 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948066986 1333362075 /nfs/dbraw/zinc/36/20/75/1333362075.db2.gz SYHHBLMRBLUJDL-MJGOQNOKSA-N 2 0 343.515 3.297 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948554220 1333573308 /nfs/dbraw/zinc/57/33/08/1333573308.db2.gz SFLIIUWKLVGXIF-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000948574345 1333582344 /nfs/dbraw/zinc/58/23/44/1333582344.db2.gz FILLMZOSIXEVMO-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948575139 1333583099 /nfs/dbraw/zinc/58/30/99/1333583099.db2.gz QIPVAODZYGTEOY-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948829684 1333702059 /nfs/dbraw/zinc/70/20/59/1333702059.db2.gz STFCJYRMNICPJE-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851862 1333709604 /nfs/dbraw/zinc/70/96/04/1333709604.db2.gz COPWDXNIDQKPEB-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000949308321 1333820890 /nfs/dbraw/zinc/82/08/90/1333820890.db2.gz UGCMCJAZEPYKDV-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[NH+](CC2CCCC2)CC1 ZINC000949824410 1333934106 /nfs/dbraw/zinc/93/41/06/1333934106.db2.gz FUWHWXXIDDZKHB-HXUWFJFHSA-N 2 0 347.547 3.118 20 0 EGADRP CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1C[NH+](CC2CCCCC2)C1 ZINC000950614584 1334097316 /nfs/dbraw/zinc/09/73/16/1334097316.db2.gz GNMWJPGIZSPQAY-AZUAARDMSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CCCC3CCC3)C2)C1 ZINC000951211824 1334209641 /nfs/dbraw/zinc/20/96/41/1334209641.db2.gz BBHSKJWUZBZBGK-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[NH+](CCC3CCCCCC3)CC2)CC1 ZINC000952394337 1334445916 /nfs/dbraw/zinc/44/59/16/1334445916.db2.gz XCOHGKXWMGXHJQ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000967265123 1335681275 /nfs/dbraw/zinc/68/12/75/1335681275.db2.gz SINBFNRFWAEWMP-QAPCUYQASA-N 2 0 342.487 3.211 20 0 EGADRP C[C@H]1CC[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330962 1335892340 /nfs/dbraw/zinc/89/23/40/1335892340.db2.gz ICJSNIIAFCGOCX-PKOBYXMFSA-N 2 0 347.547 3.045 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C)CC1 ZINC000968460245 1335932427 /nfs/dbraw/zinc/93/24/27/1335932427.db2.gz RKUMNVGZHGEDKE-ICSRJNTNSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968689039 1336012373 /nfs/dbraw/zinc/01/23/73/1336012373.db2.gz RVKYXCNYLOHFQB-AEFFLSMTSA-N 2 0 349.519 3.362 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968782710 1336048503 /nfs/dbraw/zinc/04/85/03/1336048503.db2.gz YQQCCUHOQDTRRJ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968849956 1336067889 /nfs/dbraw/zinc/06/78/89/1336067889.db2.gz KTPWETSCRITJAO-OALUTQOASA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856147 1336069668 /nfs/dbraw/zinc/06/96/68/1336069668.db2.gz FKFQEFIZCMAWLY-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888469 1336080758 /nfs/dbraw/zinc/08/07/58/1336080758.db2.gz VQEUVHUKCFPPAR-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(C)C ZINC000968928059 1336091831 /nfs/dbraw/zinc/09/18/31/1336091831.db2.gz ASUQNIZHKONYOD-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926142 1336092045 /nfs/dbraw/zinc/09/20/45/1336092045.db2.gz VSHLHMAMQLTACJ-QGZVFWFLSA-N 2 0 342.487 3.417 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968928512 1336092957 /nfs/dbraw/zinc/09/29/57/1336092957.db2.gz MWUKCUMPGJFCKK-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000968928918 1336093560 /nfs/dbraw/zinc/09/35/60/1336093560.db2.gz XHYMKNWNNGNBBC-PMACEKPBSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968990319 1336111877 /nfs/dbraw/zinc/11/18/77/1336111877.db2.gz ASJSXTJMXXZURN-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC000969156705 1336166042 /nfs/dbraw/zinc/16/60/42/1336166042.db2.gz ACTRLVGESQTERV-MAUKXSAKSA-N 2 0 348.450 3.208 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC000969212040 1336177775 /nfs/dbraw/zinc/17/77/75/1336177775.db2.gz TVARZQLTKYYFCF-UYAOXDASSA-N 2 0 348.450 3.290 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC000969635959 1336231887 /nfs/dbraw/zinc/23/18/87/1336231887.db2.gz DTCSMWHKDSWEPV-RKVPGOIHSA-N 2 0 349.906 3.076 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC000969707704 1336238593 /nfs/dbraw/zinc/23/85/93/1336238593.db2.gz XDKBHUVHOBOXPH-FFZOFVMBSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](NC(=O)c1ccn2c[nH+]cc2c1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000970061148 1336274874 /nfs/dbraw/zinc/27/48/74/1336274874.db2.gz WTBMZHDVJKNLKL-CVEARBPZSA-N 2 0 348.450 3.146 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC000970270454 1336291708 /nfs/dbraw/zinc/29/17/08/1336291708.db2.gz NDLMJPQWPBYKAH-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970528499 1336317802 /nfs/dbraw/zinc/31/78/02/1336317802.db2.gz HHKKQLUGRJOCKD-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000970528903 1336317884 /nfs/dbraw/zinc/31/78/84/1336317884.db2.gz JXQGIKYXJQKIMR-QFBILLFUSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000970674294 1336332091 /nfs/dbraw/zinc/33/20/91/1336332091.db2.gz YQNBPKZAQXGOJG-KRWDZBQOSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005502461 1336362789 /nfs/dbraw/zinc/36/27/89/1336362789.db2.gz FZXDJNJZJBTMLG-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005503970 1336363606 /nfs/dbraw/zinc/36/36/06/1336363606.db2.gz OLYSCKHRVLCWKF-FXAWDEMLSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005659491 1336388629 /nfs/dbraw/zinc/38/86/29/1336388629.db2.gz CONVWBQIBQDCMK-UHFFFAOYSA-N 2 0 347.547 3.118 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205617840 1370813510 /nfs/dbraw/zinc/81/35/10/1370813510.db2.gz OLPBQTATOSEGCZ-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006092601 1336451359 /nfs/dbraw/zinc/45/13/59/1336451359.db2.gz VZNXYKYNCQIYFF-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006129815 1336456806 /nfs/dbraw/zinc/45/68/06/1336456806.db2.gz CFFDLCAUQZNVPX-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001006292497 1336484537 /nfs/dbraw/zinc/48/45/37/1336484537.db2.gz QPBGVGKDIMNIHS-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](F)C[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006438787 1336506472 /nfs/dbraw/zinc/50/64/72/1336506472.db2.gz MDTAHFYXWBYWTR-SFHVURJKSA-N 2 0 349.494 3.033 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1CC[NH+](C/C=C\Cl)CC1 ZINC001006442565 1336506880 /nfs/dbraw/zinc/50/68/80/1336506880.db2.gz JGFAIWHUJOQKBF-WDZFZDKYSA-N 2 0 349.906 3.037 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001006457204 1336509349 /nfs/dbraw/zinc/50/93/49/1336509349.db2.gz FBWVIYHFDLVNMA-UHFFFAOYSA-N 2 0 349.519 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007497137 1336657627 /nfs/dbraw/zinc/65/76/27/1336657627.db2.gz AVBFNKQXPYKCAB-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001007498045 1336658138 /nfs/dbraw/zinc/65/81/38/1336658138.db2.gz YSEKXXBBWGLRQK-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001007648946 1336683575 /nfs/dbraw/zinc/68/35/75/1336683575.db2.gz VQCDDZKGDPDPJU-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801907 1336703671 /nfs/dbraw/zinc/70/36/71/1336703671.db2.gz UNURABASDLSOEK-VQIMIIECSA-N 2 0 348.450 3.290 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008052747 1336759261 /nfs/dbraw/zinc/75/92/61/1336759261.db2.gz OPITTXXHTLGBMR-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008164154 1336782994 /nfs/dbraw/zinc/78/29/94/1336782994.db2.gz RPSZRZJUJDDNNU-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001008403229 1336843417 /nfs/dbraw/zinc/84/34/17/1336843417.db2.gz FFKWQEWXYJDQHT-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001008531858 1336876939 /nfs/dbraw/zinc/87/69/39/1336876939.db2.gz MPOKEIQGMZLDCX-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001008763194 1336922459 /nfs/dbraw/zinc/92/24/59/1336922459.db2.gz XUGZXUGZXKGQCJ-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008978154 1336951269 /nfs/dbraw/zinc/95/12/69/1336951269.db2.gz DNEYEUZJTBCLFE-UYAOXDASSA-N 2 0 343.515 3.060 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050607 1336960617 /nfs/dbraw/zinc/96/06/17/1336960617.db2.gz MJAPGNCBDYKREV-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001009635823 1337050960 /nfs/dbraw/zinc/05/09/60/1337050960.db2.gz MMZJQQVHNQVQRF-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014635695 1337854450 /nfs/dbraw/zinc/85/44/50/1337854450.db2.gz XFBMFIFSFVZVTA-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001014708313 1337877612 /nfs/dbraw/zinc/87/76/12/1337877612.db2.gz VVKZKYYKAKNBOC-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001014724026 1337885420 /nfs/dbraw/zinc/88/54/20/1337885420.db2.gz SRUCDUJHFLTUCB-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014908879 1337947072 /nfs/dbraw/zinc/94/70/72/1337947072.db2.gz KLQINNLHHLSLPT-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015116002 1338023707 /nfs/dbraw/zinc/02/37/07/1338023707.db2.gz YYAPVMUZSIOAEG-GOSISDBHSA-N 2 0 338.455 3.029 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501542 1338160970 /nfs/dbraw/zinc/16/09/70/1338160970.db2.gz BFELZAGTWKGCCM-RTBURBONSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015504580 1338162187 /nfs/dbraw/zinc/16/21/87/1338162187.db2.gz PNACCGNMUDNHAA-HKUYNNGSSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015791177 1338311978 /nfs/dbraw/zinc/31/19/78/1338311978.db2.gz BQGUIWVNCBZAPJ-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015793966 1338313028 /nfs/dbraw/zinc/31/30/28/1338313028.db2.gz DIXNVXCRZBXMEN-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795739 1338315327 /nfs/dbraw/zinc/31/53/27/1338315327.db2.gz RRKXERRWSIYAJB-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)C2)c1 ZINC001016322637 1338549584 /nfs/dbraw/zinc/54/95/84/1338549584.db2.gz KDNOLDHIYBPHDA-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C2)o1 ZINC001016386366 1338585184 /nfs/dbraw/zinc/58/51/84/1338585184.db2.gz ZLWATGFZUYTNPX-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)o1 ZINC001016385835 1338585254 /nfs/dbraw/zinc/58/52/54/1338585254.db2.gz UVEUXJISSMETPP-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016621719 1338667245 /nfs/dbraw/zinc/66/72/45/1338667245.db2.gz RDDQCRUCDHOVJZ-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016661591 1338682583 /nfs/dbraw/zinc/68/25/83/1338682583.db2.gz GOMINQGNTXNKMC-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016820512 1338738192 /nfs/dbraw/zinc/73/81/92/1338738192.db2.gz QGSSFTCFIHWHIS-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016984978 1338792730 /nfs/dbraw/zinc/79/27/30/1338792730.db2.gz HSHOAIPKSPHXOV-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016984982 1338793107 /nfs/dbraw/zinc/79/31/07/1338793107.db2.gz HSHOAIPKSPHXOV-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001017146757 1338896319 /nfs/dbraw/zinc/89/63/19/1338896319.db2.gz RHZHVDKIRVIOGU-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH+](C)CC3CCCCC3)C2)C1 ZINC001017209566 1338955825 /nfs/dbraw/zinc/95/58/25/1338955825.db2.gz QJAWYTHMIQINAN-UYAOXDASSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001028335280 1340572620 /nfs/dbraw/zinc/57/26/20/1340572620.db2.gz REARZDSLCOFSKL-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001028335069 1340573237 /nfs/dbraw/zinc/57/32/37/1340573237.db2.gz NLCGUFUEWCKBAO-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028538028 1340693187 /nfs/dbraw/zinc/69/31/87/1340693187.db2.gz XXUFJYSFKQFHGI-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001028635813 1340737735 /nfs/dbraw/zinc/73/77/35/1340737735.db2.gz GUGOVUJLHSHIJX-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001028918639 1340884190 /nfs/dbraw/zinc/88/41/90/1340884190.db2.gz KFBYIIBOGAIVCJ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029013202 1340909494 /nfs/dbraw/zinc/90/94/94/1340909494.db2.gz VGSYJDXQUPQGEE-IRXDYDNUSA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001029104740 1340931198 /nfs/dbraw/zinc/93/11/98/1340931198.db2.gz GWVCKIMDWGLDCN-CQSZACIVSA-N 2 0 337.533 3.048 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001029108407 1340931671 /nfs/dbraw/zinc/93/16/71/1340931671.db2.gz HLVKODTUSSRUDQ-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001029137128 1340940095 /nfs/dbraw/zinc/94/00/95/1340940095.db2.gz QXXHKQVUDQKQQR-KRWDZBQOSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029154795 1340944756 /nfs/dbraw/zinc/94/47/56/1340944756.db2.gz PRZKTMKOZNKLFK-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCCC1 ZINC001029242273 1340960338 /nfs/dbraw/zinc/96/03/38/1340960338.db2.gz XHGFMANZFRUZBF-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001029473932 1340998304 /nfs/dbraw/zinc/99/83/04/1340998304.db2.gz XYOKRZRDTFPUNR-RLLQIKCJSA-N 2 0 345.531 3.036 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029599214 1341019186 /nfs/dbraw/zinc/01/91/86/1341019186.db2.gz WGCYSOHRJOMAKK-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029910632 1341113840 /nfs/dbraw/zinc/11/38/40/1341113840.db2.gz SYLRPQKXEFQHFC-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH+](C)CC2CCCCC2)CC1 ZINC001029995257 1341151248 /nfs/dbraw/zinc/15/12/48/1341151248.db2.gz DWSFLIGOOHNSHK-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH+](C)CC2CC(C)(C)C2)CC1 ZINC001029995789 1341151316 /nfs/dbraw/zinc/15/13/16/1341151316.db2.gz YVTUTJYYGWENSX-QGZVFWFLSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC(C[N@H+](C)CC3CCCC3)CC2)CC1 ZINC001030005305 1341154142 /nfs/dbraw/zinc/15/41/42/1341154142.db2.gz CUIASKDIYWCGDW-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001030020510 1341159774 /nfs/dbraw/zinc/15/97/74/1341159774.db2.gz CMJFDAGLWVYFEC-UFYCRDLUSA-N 2 0 343.515 3.203 20 0 EGADRP CC1CCC(C[NH+]2CC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001030444672 1341188085 /nfs/dbraw/zinc/18/80/85/1341188085.db2.gz LPYSSMUFPGIRJA-UHYCVJNDSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001030956092 1341255648 /nfs/dbraw/zinc/25/56/48/1341255648.db2.gz SACPFOHDGRLXFN-WWDZGPRUSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031660278 1341384105 /nfs/dbraw/zinc/38/41/05/1341384105.db2.gz GRKZRRLPSRUDPL-VQTJNVASSA-N 2 0 343.515 3.059 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886281 1355485179 /nfs/dbraw/zinc/48/51/79/1355485179.db2.gz MXOIIHSIVJOIFT-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001032027742 1341442020 /nfs/dbraw/zinc/44/20/20/1341442020.db2.gz YMEUUMOFDIUOSS-YLJYHZDGSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001032119586 1341458711 /nfs/dbraw/zinc/45/87/11/1341458711.db2.gz VQSMADZEAVRQNI-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001032129030 1341459882 /nfs/dbraw/zinc/45/98/82/1341459882.db2.gz PAQUDMVYYYWTFU-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001032612077 1341558954 /nfs/dbraw/zinc/55/89/54/1341558954.db2.gz USLGYBFXDARWCG-GBESFXJTSA-N 2 0 349.563 3.074 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1)[NH+]1CCCCCC1 ZINC001032664441 1341575774 /nfs/dbraw/zinc/57/57/74/1341575774.db2.gz BTUNXJTXZWTVPO-IHPCNDPISA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083315 1341718723 /nfs/dbraw/zinc/71/87/23/1341718723.db2.gz ZPVWONIXQDXLPU-QUCCMNQESA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033144144 1341738113 /nfs/dbraw/zinc/73/81/13/1341738113.db2.gz SDJSYXBIXRWFAV-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033144769 1341738637 /nfs/dbraw/zinc/73/86/37/1341738637.db2.gz BQHRXBYOJVQLGX-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033147125 1341739825 /nfs/dbraw/zinc/73/98/25/1341739825.db2.gz SVANWFSEPWBZHC-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230667 1341755832 /nfs/dbraw/zinc/75/58/32/1341755832.db2.gz RQESCNXOFFBNGY-VQIMIIECSA-N 2 0 348.450 3.242 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(CC)CC)C2)C1 ZINC001033353004 1341793627 /nfs/dbraw/zinc/79/36/27/1341793627.db2.gz CHTSOANVYGLIST-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001033466272 1341837149 /nfs/dbraw/zinc/83/71/49/1341837149.db2.gz CVHNESUQDLBTEO-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001033467703 1341837754 /nfs/dbraw/zinc/83/77/54/1341837754.db2.gz QNZGQRJKMFYLAZ-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033684459 1341949763 /nfs/dbraw/zinc/94/97/63/1341949763.db2.gz FSQOOKFQQRDSEY-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033837646 1342035615 /nfs/dbraw/zinc/03/56/15/1342035615.db2.gz TXUVCWHJRXZPMB-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CCC(C)C)C2)C1 ZINC001033936941 1342099688 /nfs/dbraw/zinc/09/96/88/1342099688.db2.gz ZNBSHTHZZIVCAZ-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033941209 1342102761 /nfs/dbraw/zinc/10/27/61/1342102761.db2.gz NIRHDTCSRCEUEL-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075459149 1356392534 /nfs/dbraw/zinc/39/25/34/1356392534.db2.gz ZUZJZYNLWAZHRP-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001075459861 1356392639 /nfs/dbraw/zinc/39/26/39/1356392639.db2.gz CVUWRHZBEUSHIO-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210596 1342320131 /nfs/dbraw/zinc/32/01/31/1342320131.db2.gz IFJQQJLOGGADHT-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001034217845 1342324243 /nfs/dbraw/zinc/32/42/43/1342324243.db2.gz WFLIYNMMCNUXIA-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034239210 1342340342 /nfs/dbraw/zinc/34/03/42/1342340342.db2.gz JCEVWTOLKJQOEW-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034240134 1342341130 /nfs/dbraw/zinc/34/11/30/1342341130.db2.gz POMDEUUMYPRUKH-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289487 1342375738 /nfs/dbraw/zinc/37/57/38/1342375738.db2.gz UNVJWRYZPLGUNI-RTBURBONSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034290086 1342376396 /nfs/dbraw/zinc/37/63/96/1342376396.db2.gz FUVLODBMFHXBLQ-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340258 1342413844 /nfs/dbraw/zinc/41/38/44/1342413844.db2.gz MUCIBPKWCADDPL-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034400203 1342466437 /nfs/dbraw/zinc/46/64/37/1342466437.db2.gz WYAQEXRYCGVTET-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400195 1342466658 /nfs/dbraw/zinc/46/66/58/1342466658.db2.gz WWTFIGQMPXYSGL-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](C/C=C/Cl)C2)cc1 ZINC001034444727 1342504921 /nfs/dbraw/zinc/50/49/21/1342504921.db2.gz KNEKAOQDENXIIU-HNDWGLKSSA-N 2 0 349.906 3.085 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034537386 1342593916 /nfs/dbraw/zinc/59/39/16/1342593916.db2.gz BCAPJPUYZXUKAS-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034539074 1342598143 /nfs/dbraw/zinc/59/81/43/1342598143.db2.gz VEAQZMVNVLVIHV-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542057 1342601401 /nfs/dbraw/zinc/60/14/01/1342601401.db2.gz UFMSJSZNNGCJSJ-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543321 1342603366 /nfs/dbraw/zinc/60/33/66/1342603366.db2.gz ZXINEWCOFZPXNF-HKUYNNGSSA-N 2 0 345.531 3.379 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001034606570 1342644795 /nfs/dbraw/zinc/64/47/95/1342644795.db2.gz AWMSRIHITUJADT-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034642610 1342667728 /nfs/dbraw/zinc/66/77/28/1342667728.db2.gz IKEYHMLXYNNTCB-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034796593 1342763444 /nfs/dbraw/zinc/76/34/44/1342763444.db2.gz KAPDWMMXDBZBNL-ZULIPRJHSA-N 2 0 347.547 3.377 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC3)CC2)o1 ZINC001034801337 1342767233 /nfs/dbraw/zinc/76/72/33/1342767233.db2.gz OXERBPRDUGWPOA-QAQDUYKDSA-N 2 0 347.503 3.162 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC001034816864 1342780833 /nfs/dbraw/zinc/78/08/33/1342780833.db2.gz LITBREOJOAUUES-UHFFFAOYSA-N 2 0 345.512 3.238 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034954468 1342851801 /nfs/dbraw/zinc/85/18/01/1342851801.db2.gz RZZMLOQICSGMKS-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001034995379 1342868726 /nfs/dbraw/zinc/86/87/26/1342868726.db2.gz UVPNTEVCMGSYEF-HXUWFJFHSA-N 2 0 348.450 3.037 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001035131928 1342948405 /nfs/dbraw/zinc/94/84/05/1342948405.db2.gz UKAGTHQFZQJQEG-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035196822 1343009588 /nfs/dbraw/zinc/00/95/88/1343009588.db2.gz DPNAGRLRIHDUAS-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[NH+]1CC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035719324 1343151265 /nfs/dbraw/zinc/15/12/65/1343151265.db2.gz SNFOZSMRQDXYRD-UHFFFAOYSA-N 2 0 349.544 3.004 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035809914 1343210233 /nfs/dbraw/zinc/21/02/33/1343210233.db2.gz DVVKTVSJNCHJHZ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036137860 1343323107 /nfs/dbraw/zinc/32/31/07/1343323107.db2.gz PWZZQKIVUXYSMN-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036137393 1343323279 /nfs/dbraw/zinc/32/32/79/1343323279.db2.gz NIJDPYFLGAVOHX-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036180449 1343349613 /nfs/dbraw/zinc/34/96/13/1343349613.db2.gz AYQNURGTIOTDCK-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036577333 1343562437 /nfs/dbraw/zinc/56/24/37/1343562437.db2.gz GHTOHZQFJUNJTL-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC(C)(C)C)C2)CC1 ZINC001036854704 1343788958 /nfs/dbraw/zinc/78/89/58/1343788958.db2.gz POHRRYVZSRFEHU-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001037196418 1344033803 /nfs/dbraw/zinc/03/38/03/1344033803.db2.gz CKOLQYPLPLXTPE-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1[NH2+]C(C)C ZINC001037854432 1344140499 /nfs/dbraw/zinc/14/04/99/1344140499.db2.gz XMQWGYDZUSCVFP-HOCLYGCPSA-N 2 0 337.533 3.048 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037861351 1344146849 /nfs/dbraw/zinc/14/68/49/1344146849.db2.gz QXZIMVCYFTXOQI-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1CC ZINC001037871516 1344153529 /nfs/dbraw/zinc/15/35/29/1344153529.db2.gz CDZULGIDBNUDAF-AEFFLSMTSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037923913 1344183748 /nfs/dbraw/zinc/18/37/48/1344183748.db2.gz GDCCAAKDNIEJAZ-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037964344 1344208215 /nfs/dbraw/zinc/20/82/15/1344208215.db2.gz SMFLFLINPQMJIR-UYAOXDASSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCCC1CCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353693 1344393984 /nfs/dbraw/zinc/39/39/84/1344393984.db2.gz OMKCMIJOOXEALS-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353482 1344394786 /nfs/dbraw/zinc/39/47/86/1344394786.db2.gz NKSSVAVSEWCVDM-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001038431659 1344425906 /nfs/dbraw/zinc/42/59/06/1344425906.db2.gz KCTYXLNSNXDLSM-HNAYVOBHSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038444502 1344430598 /nfs/dbraw/zinc/43/05/98/1344430598.db2.gz MVSKHYYAQBVRAP-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038625875 1344510091 /nfs/dbraw/zinc/51/00/91/1344510091.db2.gz SMJHIDOTHOCAKS-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC2=CCCCC2)cc1 ZINC001038822714 1344598406 /nfs/dbraw/zinc/59/84/06/1344598406.db2.gz LAAHYKWLEUCEJU-FQEVSTJZSA-N 2 0 341.499 3.053 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152948 1344837271 /nfs/dbraw/zinc/83/72/71/1344837271.db2.gz MCSJWKOAPQULRG-IHPCNDPISA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001039249496 1344979933 /nfs/dbraw/zinc/97/99/33/1344979933.db2.gz AZOVWMVPZFTIEC-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039286270 1344997259 /nfs/dbraw/zinc/99/72/59/1344997259.db2.gz LPQPLFSIDNNFOH-HRVKUGKESA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039289765 1344998824 /nfs/dbraw/zinc/99/88/24/1344998824.db2.gz YTIDZUAVSHZGFD-HRVKUGKESA-N 2 0 335.536 3.159 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039313761 1345009550 /nfs/dbraw/zinc/00/95/50/1345009550.db2.gz OJOTWTJPKKBKEC-RAFMOHDBSA-N 2 0 349.563 3.409 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431664 1345065022 /nfs/dbraw/zinc/06/50/22/1345065022.db2.gz MNOKCONCNHUVSH-CEXWTWQISA-N 2 0 337.552 3.074 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1)[NH+](C)C ZINC001039488663 1345108452 /nfs/dbraw/zinc/10/84/52/1345108452.db2.gz XVLIZSCBHHDISE-HXUWFJFHSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC(C)CC1)[NH+](C)C ZINC001039681387 1345157727 /nfs/dbraw/zinc/15/77/27/1345157727.db2.gz AHHZESXDKUJXPK-ZCFHBRKKSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001039685890 1345158709 /nfs/dbraw/zinc/15/87/09/1345158709.db2.gz RSEALRLISKZGLA-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCC1)C2)[NH+](C)C ZINC001040260376 1345399442 /nfs/dbraw/zinc/39/94/42/1345399442.db2.gz CRZIWRXQMIVNKP-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260221 1345399990 /nfs/dbraw/zinc/39/99/90/1345399990.db2.gz CHVQZLYTPKTQEQ-UYAOXDASSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270290 1345404667 /nfs/dbraw/zinc/40/46/67/1345404667.db2.gz GQTFYZQBNYFNPK-NRFANRHFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040277024 1345408308 /nfs/dbraw/zinc/40/83/08/1345408308.db2.gz TYPYMWCICGUZAM-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040355290 1345450810 /nfs/dbraw/zinc/45/08/10/1345450810.db2.gz ALSGHBYIFSRUEP-FQEVSTJZSA-N 2 0 347.503 3.069 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040393420 1345473667 /nfs/dbraw/zinc/47/36/67/1345473667.db2.gz BOUXNXLUICNRTA-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041278336 1345692160 /nfs/dbraw/zinc/69/21/60/1345692160.db2.gz URUCTWMSEAEMPZ-WIYYLYMNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041342729 1345706220 /nfs/dbraw/zinc/70/62/20/1345706220.db2.gz GBYSTLBQTHCNBA-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001041379743 1345712138 /nfs/dbraw/zinc/71/21/38/1345712138.db2.gz SVGWAYNJELXWPQ-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537583 1345755761 /nfs/dbraw/zinc/75/57/61/1345755761.db2.gz ZGDUSIVXIUSZLN-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726513 1345833627 /nfs/dbraw/zinc/83/36/27/1345833627.db2.gz ZNWXXCTVWLXZJQ-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041845951 1345871516 /nfs/dbraw/zinc/87/15/16/1345871516.db2.gz STQAROPCYQQKEF-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001042748716 1346111542 /nfs/dbraw/zinc/11/15/42/1346111542.db2.gz TWJHKBAAJQTZTC-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044733038 1346415774 /nfs/dbraw/zinc/41/57/74/1346415774.db2.gz PLRUDIWMCSANQH-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044765219 1346423943 /nfs/dbraw/zinc/42/39/43/1346423943.db2.gz HHOVDGXELKGPLB-FXAWDEMLSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001044778535 1346426596 /nfs/dbraw/zinc/42/65/96/1346426596.db2.gz ZIUXDRQOHLTVIE-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858939 1346446950 /nfs/dbraw/zinc/44/69/50/1346446950.db2.gz XQGDGFICPQJWRZ-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC(C)C)C[C@H]2C)o1 ZINC001044878251 1346452933 /nfs/dbraw/zinc/45/29/33/1346452933.db2.gz LGETXNPQQLICOP-IAGOWNOFSA-N 2 0 349.519 3.360 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044878909 1346453151 /nfs/dbraw/zinc/45/31/51/1346453151.db2.gz OALFDOAGOAIKMI-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001044880332 1346453220 /nfs/dbraw/zinc/45/32/20/1346453220.db2.gz WIJCDWIMXNSEIB-HZPDHXFCSA-N 2 0 335.492 3.114 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)c2sccc2C[NH+](C)C)C1 ZINC001045057774 1346488353 /nfs/dbraw/zinc/48/83/53/1346488353.db2.gz FTYKIQMERAWBQP-DQPZFDDXSA-N 2 0 349.544 3.050 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001045121765 1346498795 /nfs/dbraw/zinc/49/87/95/1346498795.db2.gz UVPNTEVCMGSYEF-FQEVSTJZSA-N 2 0 348.450 3.037 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC001045171265 1346514320 /nfs/dbraw/zinc/51/43/20/1346514320.db2.gz URLBSGOJBCDMKK-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001045322065 1346560034 /nfs/dbraw/zinc/56/00/34/1346560034.db2.gz HRPTULZCZSXMPT-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)o1 ZINC001045329378 1346563578 /nfs/dbraw/zinc/56/35/78/1346563578.db2.gz HPXKCFHLLJOXFC-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001045475520 1346602865 /nfs/dbraw/zinc/60/28/65/1346602865.db2.gz JZSFZCIPCRVEQW-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001045529748 1346618478 /nfs/dbraw/zinc/61/84/78/1346618478.db2.gz XWKDBHCXVHERDO-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CC3CC(C)C3)CC2)C1 ZINC001045531377 1346619040 /nfs/dbraw/zinc/61/90/40/1346619040.db2.gz GLMWWJRJORUGRX-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045557860 1346628873 /nfs/dbraw/zinc/62/88/73/1346628873.db2.gz XHTDSEDQSSOFHA-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC[NH+](CCCC2CCC2)CC1 ZINC001045629469 1346652974 /nfs/dbraw/zinc/65/29/74/1346652974.db2.gz MDNATSZBKCZIFE-NRFANRHFSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045797356 1346700984 /nfs/dbraw/zinc/70/09/84/1346700984.db2.gz CQPYJYSPXMWMKN-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001045858335 1346723094 /nfs/dbraw/zinc/72/30/94/1346723094.db2.gz IVEYUWBMRSPZTM-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001045921609 1346758772 /nfs/dbraw/zinc/75/87/72/1346758772.db2.gz PJGTXOBQBKDKQJ-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939003 1346774893 /nfs/dbraw/zinc/77/48/93/1346774893.db2.gz RLZVWEJYIDDXMI-ZVDOUQERSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046316937 1346931911 /nfs/dbraw/zinc/93/19/11/1346931911.db2.gz CPWKBENOTCENGL-PXNSSMCTSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046368445 1346951882 /nfs/dbraw/zinc/95/18/82/1346951882.db2.gz CHGLKZGSSSEBIB-CTNGQTDRSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046562844 1347018696 /nfs/dbraw/zinc/01/86/96/1347018696.db2.gz SKZNKYWUGRKJMW-PZJWPPBQSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001046738990 1347077541 /nfs/dbraw/zinc/07/75/41/1347077541.db2.gz HBMRJOXPVQGCCK-OAQYLSRUSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047242543 1347268772 /nfs/dbraw/zinc/26/87/72/1347268772.db2.gz UVRQYHHJIVOHMK-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001047266034 1347287127 /nfs/dbraw/zinc/28/71/27/1347287127.db2.gz OHUJJDRRUQTFBX-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047266343 1347287316 /nfs/dbraw/zinc/28/73/16/1347287316.db2.gz WMLXTAXNOAWXSW-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048340310 1347523208 /nfs/dbraw/zinc/52/32/08/1347523208.db2.gz QSDBJJUXCRPFHT-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538216 1347583724 /nfs/dbraw/zinc/58/37/24/1347583724.db2.gz MONXXPZNJKYQNS-UHZRXMQZSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048539813 1347584053 /nfs/dbraw/zinc/58/40/53/1347584053.db2.gz SLYJYCGLLAHQEL-IYWMVGAKSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001048609447 1347616799 /nfs/dbraw/zinc/61/67/99/1347616799.db2.gz ALMPCAPZOHIOCD-BJLQDIEVSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001049476186 1347868183 /nfs/dbraw/zinc/86/81/83/1347868183.db2.gz CSAHPJBURPPMBK-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049504218 1347881769 /nfs/dbraw/zinc/88/17/69/1347881769.db2.gz FABHQGXKUGPITB-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049535668 1347896971 /nfs/dbraw/zinc/89/69/71/1347896971.db2.gz IHCZXQXHBRHZOU-QRVBRYPASA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049548873 1347902621 /nfs/dbraw/zinc/90/26/21/1347902621.db2.gz GGXPOPZCZZXZJC-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049551844 1347904744 /nfs/dbraw/zinc/90/47/44/1347904744.db2.gz JGFQTXNZTMZMFH-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049725176 1347991483 /nfs/dbraw/zinc/99/14/83/1347991483.db2.gz VRAMZOGZPXIVNN-YZGWKJHDSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC1 ZINC001049760690 1348005828 /nfs/dbraw/zinc/00/58/28/1348005828.db2.gz BAQHJICMLXIOAG-XUVXKRRUSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC ZINC001049835949 1348048887 /nfs/dbraw/zinc/04/88/87/1348048887.db2.gz MSIBQFPEDQAWNJ-GBESFXJTSA-N 2 0 335.536 3.116 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@@H](C)[NH2+]C(C)C)cc2)CC[N@@H+]1C ZINC001050263042 1348222464 /nfs/dbraw/zinc/22/24/64/1348222464.db2.gz HJTSLDOZTGBYFW-AYOQOUSVSA-N 2 0 331.504 3.092 20 0 EGADRP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC001050266074 1348223463 /nfs/dbraw/zinc/22/34/63/1348223463.db2.gz YYUVBZPTOHUDIO-HNNXBMFYSA-N 2 0 336.439 3.323 20 0 EGADRP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001050270932 1348224064 /nfs/dbraw/zinc/22/40/64/1348224064.db2.gz BKAOPGDJKUIVJI-LPHOPBHVSA-N 2 0 331.504 3.236 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001050357101 1348236566 /nfs/dbraw/zinc/23/65/66/1348236566.db2.gz KWYNMAHSTLEQMO-LNLFQRSKSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368416 1348240595 /nfs/dbraw/zinc/24/05/95/1348240595.db2.gz VWFFUWLYILOGAH-IHPCNDPISA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052499292 1348560261 /nfs/dbraw/zinc/56/02/61/1348560261.db2.gz SLCXZFDMEGDSOW-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589497 1348587743 /nfs/dbraw/zinc/58/77/43/1348587743.db2.gz JLNOYNMZXJLTIS-IBGZPJMESA-N 2 0 345.531 3.175 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CCC(C)C)CC2)C1 ZINC001052651922 1348614591 /nfs/dbraw/zinc/61/45/91/1348614591.db2.gz PBRMXIUECAYEGX-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708765 1348644114 /nfs/dbraw/zinc/64/41/14/1348644114.db2.gz GBUZIGDOBKWOKS-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857140 1348704698 /nfs/dbraw/zinc/70/46/98/1348704698.db2.gz IMKQOUDQEJJMEX-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC001052859462 1348705362 /nfs/dbraw/zinc/70/53/62/1348705362.db2.gz MDMOIZZVPWLNII-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001052900132 1348734312 /nfs/dbraw/zinc/73/43/12/1348734312.db2.gz FEOTXHQZWNHDGQ-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933772 1348754543 /nfs/dbraw/zinc/75/45/43/1348754543.db2.gz FNCCHNROFPHJQQ-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052955464 1348769718 /nfs/dbraw/zinc/76/97/18/1348769718.db2.gz GPUAGSVZBFQAPW-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100474 1348933625 /nfs/dbraw/zinc/93/36/25/1348933625.db2.gz HIIJRZRMKHWNIH-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227105 1349220497 /nfs/dbraw/zinc/22/04/97/1349220497.db2.gz DEMZBBSZAULADY-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054244351 1349237374 /nfs/dbraw/zinc/23/73/74/1349237374.db2.gz DHHZVMJGCYPHGN-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264412 1349261457 /nfs/dbraw/zinc/26/14/57/1349261457.db2.gz DNNVMDPAMAWCTA-FQEVSTJZSA-N 2 0 343.515 3.147 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)cc2C1 ZINC001054269628 1349269468 /nfs/dbraw/zinc/26/94/68/1349269468.db2.gz IFZWHHDXZOQIJO-VQTJNVASSA-N 2 0 341.499 3.044 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001054297844 1349302455 /nfs/dbraw/zinc/30/24/55/1349302455.db2.gz HBMHUDYZLMTMQE-ATZDWAIDSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001080021728 1357460850 /nfs/dbraw/zinc/46/08/50/1357460850.db2.gz OJQUFFCRSYXUTA-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054738247 1349450610 /nfs/dbraw/zinc/45/06/10/1349450610.db2.gz OKAIWWXPPVFVRN-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001071627989 1354811160 /nfs/dbraw/zinc/81/11/60/1354811160.db2.gz MTDGQTLAEBOFIT-RDJZCZTQSA-N 2 0 342.487 3.272 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCCC1CCC1 ZINC001071645253 1354824288 /nfs/dbraw/zinc/82/42/88/1354824288.db2.gz IFXINJYZFZOCGQ-MJGOQNOKSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735203 1354887458 /nfs/dbraw/zinc/88/74/58/1354887458.db2.gz HUQTUQMGQWMTDQ-AEFFLSMTSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1=CCCCC1 ZINC001071873265 1354998066 /nfs/dbraw/zinc/99/80/66/1354998066.db2.gz UDTIKTHOGOMWCG-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165167 1387270869 /nfs/dbraw/zinc/27/08/69/1387270869.db2.gz QDQWRPKNECDTRP-YCIUYBBHSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095774 1355127781 /nfs/dbraw/zinc/12/77/81/1355127781.db2.gz OCCWJYKKFLCVAI-YLJYHZDGSA-N 2 0 345.531 3.377 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(C)C)C2)o1 ZINC001072110088 1355136954 /nfs/dbraw/zinc/13/69/54/1355136954.db2.gz SGECDIAJHBIIBV-IAGOWNOFSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)[NH+]1CCCC1 ZINC001073460813 1355794495 /nfs/dbraw/zinc/79/44/95/1355794495.db2.gz WGCDSJBISSZELU-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001074649045 1356220964 /nfs/dbraw/zinc/22/09/64/1356220964.db2.gz NTZXSXPUGDQXRV-WDSOQIARSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C)[NH+](C)C ZINC001074709969 1356228119 /nfs/dbraw/zinc/22/81/19/1356228119.db2.gz XWDOBPMTEYMAKV-YSIASYRMSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448159 1356380808 /nfs/dbraw/zinc/38/08/08/1356380808.db2.gz PKGOUZFUIGUOED-QUCCMNQESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183254787 1387285876 /nfs/dbraw/zinc/28/58/76/1387285876.db2.gz GAOPCUKWOBNRKC-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)[NH+](C)C ZINC001076253379 1356528576 /nfs/dbraw/zinc/52/85/76/1356528576.db2.gz ICPBPZLSVYIWLE-GBESFXJTSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001076418513 1356573674 /nfs/dbraw/zinc/57/36/74/1356573674.db2.gz BHEDPXOZPHVBJL-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258282 1363718675 /nfs/dbraw/zinc/71/86/75/1363718675.db2.gz PLTXIFWIOSWCDQ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082507199 1358052930 /nfs/dbraw/zinc/05/29/30/1358052930.db2.gz HEUDFXFOFKNWHM-RLLQIKCJSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCC1CC1 ZINC001082699686 1358077705 /nfs/dbraw/zinc/07/77/05/1358077705.db2.gz PYLLTPUBSULWML-AHRSYUTCSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001082944203 1358107058 /nfs/dbraw/zinc/10/70/58/1358107058.db2.gz JGEBUCJFZITESV-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405395 1358207585 /nfs/dbraw/zinc/20/75/85/1358207585.db2.gz LGUDQRQNTXKDBK-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476436 1358222732 /nfs/dbraw/zinc/22/27/32/1358222732.db2.gz YFCARTVXQDXGQM-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCCCC3)[C@H]2C1)[NH+](C)C ZINC001084964884 1358355304 /nfs/dbraw/zinc/35/53/04/1358355304.db2.gz WLWICICRFYOGCC-AABGKKOBSA-N 2 0 349.563 3.076 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001085258656 1358445785 /nfs/dbraw/zinc/44/57/85/1358445785.db2.gz VRRZEQNODRUTJM-RTBURBONSA-N 2 0 347.547 3.212 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085432573 1358498376 /nfs/dbraw/zinc/49/83/76/1358498376.db2.gz FNKMJOLZNSSDKF-KURKYZTESA-N 2 0 349.544 3.140 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C(C)C)o1 ZINC001085436781 1358499625 /nfs/dbraw/zinc/49/96/25/1358499625.db2.gz AWLLJYVNMFEVGH-IAGOWNOFSA-N 2 0 335.492 3.160 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1)c1ccccc1 ZINC001183738788 1387339397 /nfs/dbraw/zinc/33/93/97/1387339397.db2.gz OUMOGVFYEYZAEO-MSOLQXFVSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1)c1ccccc1 ZINC001183738790 1387339605 /nfs/dbraw/zinc/33/96/05/1387339605.db2.gz OUMOGVFYEYZAEO-QZTJIDSGSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001183764968 1387345437 /nfs/dbraw/zinc/34/54/37/1387345437.db2.gz LAGIETZEDGCPEB-QZTJIDSGSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085629315 1358646785 /nfs/dbraw/zinc/64/67/85/1358646785.db2.gz QYEFCWCCXTUDPW-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085687094 1358687888 /nfs/dbraw/zinc/68/78/88/1358687888.db2.gz ICGCLECFZDFCRO-OALUTQOASA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001085778788 1358753750 /nfs/dbraw/zinc/75/37/50/1358753750.db2.gz HJDCFWFYMXHVQB-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001085784545 1358759841 /nfs/dbraw/zinc/75/98/41/1358759841.db2.gz WSZXAYRAWWPDKJ-YSIASYRMSA-N 2 0 347.547 3.140 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001086399729 1359087580 /nfs/dbraw/zinc/08/75/80/1359087580.db2.gz KMEFKFOFDRQYFF-LWYYNNOASA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001086403159 1359088241 /nfs/dbraw/zinc/08/82/41/1359088241.db2.gz YFHLATGNBKQEMJ-HNBVOPMISA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001086786067 1359201185 /nfs/dbraw/zinc/20/11/85/1359201185.db2.gz HMZNHJHFMGAWHM-FRYIKTPZSA-N 2 0 347.547 3.092 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086793777 1359202518 /nfs/dbraw/zinc/20/25/18/1359202518.db2.gz LVOQLEHNKGLMHH-QQGUTBHFSA-N 2 0 349.563 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC3)C2)o1 ZINC001086886447 1359221376 /nfs/dbraw/zinc/22/13/76/1359221376.db2.gz CPXKGZWBZUSEJV-DLBZAZTESA-N 2 0 347.503 3.020 20 0 EGADRP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001086886809 1359221579 /nfs/dbraw/zinc/22/15/79/1359221579.db2.gz XBVOVEQSXVLQLB-JKSUJKDBSA-N 2 0 335.492 3.020 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927990 1359252647 /nfs/dbraw/zinc/25/26/47/1359252647.db2.gz RXARRNTXNBOTKQ-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001086951998 1359272026 /nfs/dbraw/zinc/27/20/26/1359272026.db2.gz XEXPBQRFVMNFLW-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC2(CN1C(=O)C[NH+]1CCCC1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086957562 1359278804 /nfs/dbraw/zinc/27/88/04/1359278804.db2.gz QTAWHGBSNQLHGV-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958237 1359279330 /nfs/dbraw/zinc/27/93/30/1359279330.db2.gz JRCDFDNQPSIHMV-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087236211 1359327982 /nfs/dbraw/zinc/32/79/82/1359327982.db2.gz MJEXCHBOFJFFOT-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001087312070 1359399568 /nfs/dbraw/zinc/39/95/68/1359399568.db2.gz YVSNRRXJWPWOSQ-CEXWTWQISA-N 2 0 349.563 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1CC ZINC001087593555 1359548031 /nfs/dbraw/zinc/54/80/31/1359548031.db2.gz LAUWQQYKFYZEIT-ZCNNSNEGSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC1CCCCC1 ZINC001087701659 1359598390 /nfs/dbraw/zinc/59/83/90/1359598390.db2.gz GVOCQAPZHOIGAC-FRYIKTPZSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064433 1359740404 /nfs/dbraw/zinc/74/04/04/1359740404.db2.gz FBALJCAQCXRUGD-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001088327171 1359831549 /nfs/dbraw/zinc/83/15/49/1359831549.db2.gz HGYWUQARCSSIOZ-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001088373681 1359855062 /nfs/dbraw/zinc/85/50/62/1359855062.db2.gz LWUHBJJMFOUQMR-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088394607 1359871142 /nfs/dbraw/zinc/87/11/42/1359871142.db2.gz KMBHNQMBDPBNLC-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001088768977 1360036869 /nfs/dbraw/zinc/03/68/69/1360036869.db2.gz MLXPAOIPAGMJQV-LSTHTHJFSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812012 1360060840 /nfs/dbraw/zinc/06/08/40/1360060840.db2.gz HXIQGUPRIMMOPJ-HOJAQTOUSA-N 2 0 347.547 3.329 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)[C@@H]1C ZINC001088971007 1360120594 /nfs/dbraw/zinc/12/05/94/1360120594.db2.gz XQKFOFBVZQOSLR-QYZOEREBSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001089181270 1360231091 /nfs/dbraw/zinc/23/10/91/1360231091.db2.gz LBKPGMICPHGZQZ-QUCCMNQESA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184411819 1387452501 /nfs/dbraw/zinc/45/25/01/1387452501.db2.gz IWCBCKZRGIZORA-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407090 1360405272 /nfs/dbraw/zinc/40/52/72/1360405272.db2.gz VZMGYWTXQPPAAN-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426533 1360418912 /nfs/dbraw/zinc/41/89/12/1360418912.db2.gz IYEDRIZWRCPBBJ-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430862 1360422731 /nfs/dbraw/zinc/42/27/31/1360422731.db2.gz VRYDYOLBWBTLBY-SFHVURJKSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)CC1 ZINC001089509150 1360481064 /nfs/dbraw/zinc/48/10/64/1360481064.db2.gz FXRIZPZSKHTUEE-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089511810 1360483463 /nfs/dbraw/zinc/48/34/63/1360483463.db2.gz VVYJHCBEVDKXRQ-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089564544 1360511720 /nfs/dbraw/zinc/51/17/20/1360511720.db2.gz BPQLQHYZTWYTAB-SFHVURJKSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089564868 1360511795 /nfs/dbraw/zinc/51/17/95/1360511795.db2.gz KGZBXTDAJYEUDK-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664818 1360575035 /nfs/dbraw/zinc/57/50/35/1360575035.db2.gz ONOWOMFHJKWSRG-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089670781 1360581020 /nfs/dbraw/zinc/58/10/20/1360581020.db2.gz ILFSGBAAFUJWTQ-SFHVURJKSA-N 2 0 342.487 3.211 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089721019 1360623093 /nfs/dbraw/zinc/62/30/93/1360623093.db2.gz CDSKFZMIDSKCTC-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001091100202 1360991859 /nfs/dbraw/zinc/99/18/59/1360991859.db2.gz KZFFUFFZKIWTDI-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001091100198 1360991949 /nfs/dbraw/zinc/99/19/49/1360991949.db2.gz KXYAILXAQHAKQJ-ACBHZAAOSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(NCC1CC([NH2+]CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001091119122 1360994516 /nfs/dbraw/zinc/99/45/16/1360994516.db2.gz NEVYITMXKCYVGH-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)CC1 ZINC001091306690 1361037571 /nfs/dbraw/zinc/03/75/71/1361037571.db2.gz XBQUGLWVOLSWRQ-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184577431 1387496618 /nfs/dbraw/zinc/49/66/18/1387496618.db2.gz MNTBWIWSUMQWMQ-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C[NH2+]CCCC1CCC1 ZINC001184577348 1387496778 /nfs/dbraw/zinc/49/67/78/1387496778.db2.gz LYMFMKPRQLUVNB-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184627991 1387501229 /nfs/dbraw/zinc/50/12/29/1387501229.db2.gz BNILBPFQNHVKNI-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092602582 1361419767 /nfs/dbraw/zinc/41/97/67/1361419767.db2.gz FTRHBULFKKKGJK-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001184702416 1387514947 /nfs/dbraw/zinc/51/49/47/1387514947.db2.gz YATIRRLDEUUBKC-NVXWUHKLSA-N 2 0 342.487 3.131 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184711942 1387516996 /nfs/dbraw/zinc/51/69/96/1387516996.db2.gz IEUCNTGHDHMRHV-WBNOOXNUSA-N 2 0 337.552 3.147 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093765270 1361693276 /nfs/dbraw/zinc/69/32/76/1361693276.db2.gz AOCIFYCWESXOAE-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433980 1361800167 /nfs/dbraw/zinc/80/01/67/1361800167.db2.gz LZBDQKJHCJXZQR-SFHLNBCPSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497706 1361831212 /nfs/dbraw/zinc/83/12/12/1361831212.db2.gz IMSMBUOQPUKDPL-CTAFRAEOSA-N 2 0 347.547 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094584725 1361870944 /nfs/dbraw/zinc/87/09/44/1361870944.db2.gz DYMDFUWPBYGQPD-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1C ZINC001184852133 1387549389 /nfs/dbraw/zinc/54/93/89/1387549389.db2.gz SYZPGTSKKRPDNB-QAPCUYQASA-N 2 0 331.504 3.495 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)nc2C)C[C@@H]1C ZINC001184852135 1387549457 /nfs/dbraw/zinc/54/94/57/1387549457.db2.gz SYZPGTSKKRPDNB-YJBOKZPZSA-N 2 0 331.504 3.495 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001095498765 1362157401 /nfs/dbraw/zinc/15/74/01/1362157401.db2.gz CZXAVPZZNPBJCL-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095662828 1362198040 /nfs/dbraw/zinc/19/80/40/1362198040.db2.gz VEVRRVGBXXHELG-UAFONNFLSA-N 2 0 340.471 3.024 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184891867 1387556875 /nfs/dbraw/zinc/55/68/75/1387556875.db2.gz KEXLCZMXWHWQGH-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095811999 1362241558 /nfs/dbraw/zinc/24/15/58/1362241558.db2.gz AWPJAPORVGOLJX-FUMNGEBKSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096100963 1362383060 /nfs/dbraw/zinc/38/30/60/1362383060.db2.gz LEMHTVQZKOLNCX-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096100909 1362383079 /nfs/dbraw/zinc/38/30/79/1362383079.db2.gz JVVZCTJQMGUXRQ-LMCOJAPRSA-N 2 0 349.563 3.409 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC1 ZINC001096104048 1362384438 /nfs/dbraw/zinc/38/44/38/1362384438.db2.gz CFZZDNYRIDTISX-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079306 1362835284 /nfs/dbraw/zinc/83/52/84/1362835284.db2.gz ILKZKQVROFWDCS-AFYVEPGGSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001324334548 1387596217 /nfs/dbraw/zinc/59/62/17/1387596217.db2.gz LQQXQDJYMKSNFX-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097220441 1362890967 /nfs/dbraw/zinc/89/09/67/1362890967.db2.gz RMLUGCDMAVGTMT-NMLBUPMWSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)(C)[NH2+]CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324349344 1387603474 /nfs/dbraw/zinc/60/34/74/1387603474.db2.gz XELHEFNWUOQREK-YQQQUEKLSA-N 2 0 343.515 3.076 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579713 1363060025 /nfs/dbraw/zinc/06/00/25/1363060025.db2.gz AWPJAPORVGOLJX-ZRNYENFQSA-N 2 0 347.547 3.019 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC1 ZINC001098099047 1363222332 /nfs/dbraw/zinc/22/23/32/1363222332.db2.gz CDKAAMIXXLVGDP-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001185090861 1387616828 /nfs/dbraw/zinc/61/68/28/1387616828.db2.gz PFWPYEPLKGUYLW-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2 ZINC001099026973 1363582630 /nfs/dbraw/zinc/58/26/30/1363582630.db2.gz ISXGFEGCMQORAL-LMNJBCLMSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099060616 1363601331 /nfs/dbraw/zinc/60/13/31/1363601331.db2.gz BEADJOMATSNTNG-DYXWJJEUSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115276 1363631371 /nfs/dbraw/zinc/63/13/71/1363631371.db2.gz DENOUBHCVMTNQL-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125558 1363638026 /nfs/dbraw/zinc/63/80/26/1363638026.db2.gz IKMAIDYDYQFZHR-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153401 1363659532 /nfs/dbraw/zinc/65/95/32/1363659532.db2.gz KFYAMKXVZPDCAR-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099204289 1363691564 /nfs/dbraw/zinc/69/15/64/1363691564.db2.gz YBTNITFYQXRLTQ-GHOSXJJBSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099276413 1363727868 /nfs/dbraw/zinc/72/78/68/1363727868.db2.gz SIAGKLLMAAFSSD-LPADLIQXSA-N 2 0 337.552 3.291 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099311101 1363744598 /nfs/dbraw/zinc/74/45/98/1363744598.db2.gz XRBPONOGYXHHBH-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099320654 1363748734 /nfs/dbraw/zinc/74/87/34/1363748734.db2.gz KWYHRPAYUNOPMW-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001099497298 1363820968 /nfs/dbraw/zinc/82/09/68/1363820968.db2.gz VNDWOAZCQWQFDH-ZJOUEHCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406647 1364104054 /nfs/dbraw/zinc/10/40/54/1364104054.db2.gz GNARMFXUYBJXGG-KMJZGYOJSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001100438193 1364114120 /nfs/dbraw/zinc/11/41/20/1364114120.db2.gz UAMUKZHRNJJYMU-VIQWUECVSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537484 1364151468 /nfs/dbraw/zinc/15/14/68/1364151468.db2.gz WALMAZYCHLVKAC-AOCRQIFASA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)c1ccc(C[NH2+]C2CC(CNC(=O)CCC[NH+](C)C)C2)cc1 ZINC001100620009 1364192806 /nfs/dbraw/zinc/19/28/06/1364192806.db2.gz RWQTXQBSXNSEJE-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001100647080 1364203171 /nfs/dbraw/zinc/20/31/71/1364203171.db2.gz BOBDNGLATCBNIP-CTWPCTMYSA-N 2 0 349.563 3.027 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681639 1364216619 /nfs/dbraw/zinc/21/66/19/1364216619.db2.gz OVCHYQJRUFBPJY-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100731889 1364239330 /nfs/dbraw/zinc/23/93/30/1364239330.db2.gz KKQMUKBCFZZGCJ-VIQWUECVSA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100731792 1364239542 /nfs/dbraw/zinc/23/95/42/1364239542.db2.gz GJRLRIOLJULFPO-IPJUCJBFSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001101033205 1364382427 /nfs/dbraw/zinc/38/24/27/1364382427.db2.gz HGKCAAGOHSWYDJ-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036000 1364383443 /nfs/dbraw/zinc/38/34/43/1364383443.db2.gz GQPNDOIFVGBLEX-HLTKQCFESA-N 2 0 349.563 3.338 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001101036254 1364383807 /nfs/dbraw/zinc/38/38/07/1364383807.db2.gz LNURPWKHTKKIPX-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441211 1364565484 /nfs/dbraw/zinc/56/54/84/1364565484.db2.gz NWOKHZLSDHIENT-HTQXOKQJSA-N 2 0 349.563 3.245 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101476177 1364575611 /nfs/dbraw/zinc/57/56/11/1364575611.db2.gz GYKJOMMSHOJGSF-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001101558675 1364618394 /nfs/dbraw/zinc/61/83/94/1364618394.db2.gz AUGMPVXSVXTJEN-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001101588265 1364638657 /nfs/dbraw/zinc/63/86/57/1364638657.db2.gz COBJFSIRGCKRQO-KRWDZBQOSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101590491 1364641374 /nfs/dbraw/zinc/64/13/74/1364641374.db2.gz UOUXBAOAOIAKHA-SFHVURJKSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963175 1364792523 /nfs/dbraw/zinc/79/25/23/1364792523.db2.gz OYTKIWOQDNQRBR-ODWICZQRSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974587 1364795413 /nfs/dbraw/zinc/79/54/13/1364795413.db2.gz GLFOGABTZZAZLA-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021140 1364813664 /nfs/dbraw/zinc/81/36/64/1364813664.db2.gz IXFFZXNYHVOQDK-DSTKZSRVSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213940 1364937279 /nfs/dbraw/zinc/93/72/79/1364937279.db2.gz YTZHTJINRXYSAL-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285447 1364984881 /nfs/dbraw/zinc/98/48/81/1364984881.db2.gz RJICCRUEPYGIIH-SJLPKXTDSA-N 2 0 349.519 3.075 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330149 1365005103 /nfs/dbraw/zinc/00/51/03/1365005103.db2.gz FNMPAFKTMVYIOZ-QLTKYKRFSA-N 2 0 337.552 3.003 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001102330232 1365005419 /nfs/dbraw/zinc/00/54/19/1365005419.db2.gz JVVHJJFOFJBXCN-KZNAEPCWSA-N 2 0 339.568 3.083 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357769 1365020877 /nfs/dbraw/zinc/02/08/77/1365020877.db2.gz IOSNXSACBLTZIV-QFOGUGEJSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102367038 1365025813 /nfs/dbraw/zinc/02/58/13/1365025813.db2.gz YZUGYGHOKRMKPF-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366782 1365026053 /nfs/dbraw/zinc/02/60/53/1365026053.db2.gz QFIQDDYTWOZMNH-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001102472292 1365073578 /nfs/dbraw/zinc/07/35/78/1365073578.db2.gz SWPRAMFNESLJEU-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+](CC(C)C)C[C@H]1C)c1ccccc1 ZINC001102509036 1365092251 /nfs/dbraw/zinc/09/22/51/1365092251.db2.gz QUKLGCAIKJOLDZ-RLLQIKCJSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596813 1365130278 /nfs/dbraw/zinc/13/02/78/1365130278.db2.gz ZBVQGMVTTWZDNO-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060567 1365359056 /nfs/dbraw/zinc/35/90/56/1365359056.db2.gz SXMYTTCGFGLPCY-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087785 1365374368 /nfs/dbraw/zinc/37/43/68/1365374368.db2.gz NPZITLHIBTYWRG-UIIZDYNOSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185546494 1387744405 /nfs/dbraw/zinc/74/44/05/1387744405.db2.gz CKMJBMPSHGZZDQ-ZSQQTYLHSA-N 2 0 337.552 3.149 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495492 1365597293 /nfs/dbraw/zinc/59/72/93/1365597293.db2.gz FEXHITKTKUVTGD-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001103542608 1365623733 /nfs/dbraw/zinc/62/37/33/1365623733.db2.gz PLHQUQKIOKPMJY-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103550620 1365629605 /nfs/dbraw/zinc/62/96/05/1365629605.db2.gz ZCEZBTRWNWFLNU-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+](CC)CC ZINC001185609563 1387760302 /nfs/dbraw/zinc/76/03/02/1387760302.db2.gz KUTZVSMBPMUMKQ-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755497 1365766086 /nfs/dbraw/zinc/76/60/86/1365766086.db2.gz JLOOGMVDJMOSAB-VAMGGRTRSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104294274 1365978216 /nfs/dbraw/zinc/97/82/16/1365978216.db2.gz GUPUVZZENXZJSR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104294285 1365978378 /nfs/dbraw/zinc/97/83/78/1365978378.db2.gz HNAVHJNALCUDOK-IEBWSBKVSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)CC(C)(C)C ZINC001185723594 1387785273 /nfs/dbraw/zinc/78/52/73/1387785273.db2.gz OTIKNBGHDUOCHL-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066961 1366304737 /nfs/dbraw/zinc/30/47/37/1366304737.db2.gz HKTHXLPCCKZQLT-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396823 1366445903 /nfs/dbraw/zinc/44/59/03/1366445903.db2.gz WWYVYZSGUYZPRA-HXUWFJFHSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105562138 1366531804 /nfs/dbraw/zinc/53/18/04/1366531804.db2.gz XGHWWXSWURDZLL-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105574689 1366539449 /nfs/dbraw/zinc/53/94/49/1366539449.db2.gz FCUMTPIQJQDDMN-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248772 1366633063 /nfs/dbraw/zinc/63/30/63/1366633063.db2.gz YRWBYVZQYHZMIZ-AHSYYPKJSA-N 2 0 349.563 3.005 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728700 1366782332 /nfs/dbraw/zinc/78/23/32/1366782332.db2.gz NVDBMFDKBSYNTG-UEIMZRGPSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107032988 1366861709 /nfs/dbraw/zinc/86/17/09/1366861709.db2.gz CZICLDFLNYZOJU-SBUVDCAVSA-N 2 0 349.563 3.293 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001107035847 1366862298 /nfs/dbraw/zinc/86/22/98/1366862298.db2.gz AZYNNXSNWVOWTH-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107071044 1366870251 /nfs/dbraw/zinc/87/02/51/1366870251.db2.gz CGLJAZVCUAKTRN-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001107425974 1366960852 /nfs/dbraw/zinc/96/08/52/1366960852.db2.gz BBBVYIUUJJJNQQ-QKNQBKEWSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436890 1366962797 /nfs/dbraw/zinc/96/27/97/1366962797.db2.gz XAOXGDATRXIPMD-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)(C)C)CC3)CCC1 ZINC001107436759 1366962902 /nfs/dbraw/zinc/96/29/02/1366962902.db2.gz OCSRVDOUBHNWHG-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001107450515 1366968030 /nfs/dbraw/zinc/96/80/30/1366968030.db2.gz JPAIZTBAOXEWCY-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544356 1367036026 /nfs/dbraw/zinc/03/60/26/1367036026.db2.gz ZFRNJVMRGCXSGL-QWFCFKBJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)C1 ZINC001107546722 1367036616 /nfs/dbraw/zinc/03/66/16/1367036616.db2.gz MVUZBNMKEQUWNA-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107546932 1367036675 /nfs/dbraw/zinc/03/66/75/1367036675.db2.gz UCDSWVLOKBFAQQ-DBXWQHBBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107586927 1367058506 /nfs/dbraw/zinc/05/85/06/1367058506.db2.gz DZFHUDNEUWLZTI-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001107597111 1367063703 /nfs/dbraw/zinc/06/37/03/1367063703.db2.gz UQARNXPZBMUCNL-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC001189771358 1367106304 /nfs/dbraw/zinc/10/63/04/1367106304.db2.gz MCAIFDOOWAXFSC-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC1CCC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)CC1 ZINC001109410612 1367108971 /nfs/dbraw/zinc/10/89/71/1367108971.db2.gz LVJIAODLBYKGOB-BLXWGWSPSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001324962401 1387857495 /nfs/dbraw/zinc/85/74/95/1387857495.db2.gz ZUAJGOVTWMHECS-OAQYLSRUSA-N 2 0 345.531 3.033 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688432 1367282890 /nfs/dbraw/zinc/28/28/90/1367282890.db2.gz OTEUBKTVYFEMJH-JURNUCMPSA-N 2 0 335.536 3.041 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724533 1367293370 /nfs/dbraw/zinc/29/33/70/1367293370.db2.gz XNKJKEGHYFHCSQ-ZNGIMCQPSA-N 2 0 349.563 3.432 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC ZINC001109855939 1367359659 /nfs/dbraw/zinc/35/96/59/1367359659.db2.gz ALNPQSGOOXIZKL-RDGPPVDQSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)C1 ZINC001109858122 1367363194 /nfs/dbraw/zinc/36/31/94/1367363194.db2.gz VACUUIUTPVCADI-PBDJWPIDSA-N 2 0 349.563 3.266 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001191029086 1367404730 /nfs/dbraw/zinc/40/47/30/1367404730.db2.gz FUGFIBPKZQEDEB-ROUUACIJSA-N 2 0 345.531 3.319 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061891 1367414304 /nfs/dbraw/zinc/41/43/04/1367414304.db2.gz NGKXOVOXUPWHLB-GOSISDBHSA-N 2 0 337.552 3.218 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109957662 1367426484 /nfs/dbraw/zinc/42/64/84/1367426484.db2.gz OJKSSKSEYQJRFH-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1 ZINC001110019113 1367461177 /nfs/dbraw/zinc/46/11/77/1367461177.db2.gz FTNSAQUDDVBBPQ-RNQOJCNYSA-N 2 0 343.515 3.201 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543786 1367525227 /nfs/dbraw/zinc/52/52/27/1367525227.db2.gz SKOPKXHGOGHLPB-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148084 1367525856 /nfs/dbraw/zinc/52/58/56/1367525856.db2.gz IHMJQZWTVZMIHM-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148181 1367526067 /nfs/dbraw/zinc/52/60/67/1367526067.db2.gz MUSOBRRJWVDMAZ-GUDQURTESA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@H+](C)CCC3CCCC3)C2)CCCC1 ZINC001191560345 1367527802 /nfs/dbraw/zinc/52/78/02/1367527802.db2.gz CYFXBCSLBYZCMN-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccsc3)C2)CCCC1 ZINC001191561492 1367528382 /nfs/dbraw/zinc/52/83/82/1367528382.db2.gz PBKXTZOZXFHSSH-KRWDZBQOSA-N 2 0 349.544 3.045 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)CCCC1 ZINC001191562167 1367528882 /nfs/dbraw/zinc/52/88/82/1367528882.db2.gz ZGGIPRHVCKBPFT-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001110160512 1367532458 /nfs/dbraw/zinc/53/24/58/1367532458.db2.gz RYQHHKSCQLTDKM-QYZOEREBSA-N 2 0 347.547 3.019 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161714 1367534641 /nfs/dbraw/zinc/53/46/41/1367534641.db2.gz QPZJFZCOPGRVHM-YDZRNGNQSA-N 2 0 335.536 3.019 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684666 1367560448 /nfs/dbraw/zinc/56/04/48/1367560448.db2.gz TVFWZTYLNXPNPO-KRWDZBQOSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684464 1367560652 /nfs/dbraw/zinc/56/06/52/1367560652.db2.gz SAQNRZBQHKNXGH-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764083 1367579888 /nfs/dbraw/zinc/57/98/88/1367579888.db2.gz DHDPHGFPXQPKAG-LNMLPRMJSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789089 1367597447 /nfs/dbraw/zinc/59/74/47/1367597447.db2.gz DHKDEJQNLLXHMB-IHPCNDPISA-N 2 0 349.563 3.122 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192325619 1367752711 /nfs/dbraw/zinc/75/27/11/1367752711.db2.gz MGRCHCHWTLMSTQ-MSOLQXFVSA-N 2 0 325.541 3.076 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001192325087 1367752773 /nfs/dbraw/zinc/75/27/73/1367752773.db2.gz JSCKPKMPNYARPU-SJORKVTESA-N 2 0 325.541 3.076 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192394863 1367772687 /nfs/dbraw/zinc/77/26/87/1367772687.db2.gz FYQWUOZMDABVRA-MSOLQXFVSA-N 2 0 339.568 3.179 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001192671598 1367846114 /nfs/dbraw/zinc/84/61/14/1367846114.db2.gz OEJKIQLPHBQAFO-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192844937 1367886672 /nfs/dbraw/zinc/88/66/72/1367886672.db2.gz COUCAVXJMSEBIN-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917438 1367903633 /nfs/dbraw/zinc/90/36/33/1367903633.db2.gz OMCKESZEWOYRRN-MOPGFXCFSA-N 2 0 339.568 3.466 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1)C(C)C ZINC001192918163 1367904471 /nfs/dbraw/zinc/90/44/71/1367904471.db2.gz XZSRMAWTBZHCFI-OALUTQOASA-N 2 0 339.568 3.322 20 0 EGADRP CC[C@H]1C[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1O ZINC001193000305 1367920940 /nfs/dbraw/zinc/92/09/40/1367920940.db2.gz BOROACNQTYMHRC-LEWJYISDSA-N 2 0 330.516 3.034 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110684455 1367926250 /nfs/dbraw/zinc/92/62/50/1367926250.db2.gz LDCOSHSVHGWWAG-MANSERQUSA-N 2 0 349.563 3.409 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193280022 1367989223 /nfs/dbraw/zinc/98/92/23/1367989223.db2.gz SUSWQRDHXNUJIC-RBUKOAKNSA-N 2 0 345.531 3.239 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001193423823 1368025797 /nfs/dbraw/zinc/02/57/97/1368025797.db2.gz GTUPGBKKOUCCMO-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)C/C=C\Cl)C1 ZINC001193425281 1368027645 /nfs/dbraw/zinc/02/76/45/1368027645.db2.gz UXKUIHXRLNBFDJ-CGQZWFTASA-N 2 0 343.943 3.174 20 0 EGADRP CCC1(CC)CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001193535838 1368056748 /nfs/dbraw/zinc/05/67/48/1368056748.db2.gz HREHEZRQTUCLIX-LJQANCHMSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560820 1368062372 /nfs/dbraw/zinc/06/23/72/1368062372.db2.gz VHGRLZVMBSDNDL-QUCCMNQESA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193639535 1368081892 /nfs/dbraw/zinc/08/18/92/1368081892.db2.gz AKUKSVHSQSWTFC-RBUKOAKNSA-N 2 0 345.531 3.239 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001111160416 1368170225 /nfs/dbraw/zinc/17/02/25/1368170225.db2.gz WPURVHVWUOBGRZ-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179401 1368182530 /nfs/dbraw/zinc/18/25/30/1368182530.db2.gz GAEMBWPETJYZOI-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226882 1368212116 /nfs/dbraw/zinc/21/21/16/1368212116.db2.gz HPHHCZZCKMRZJQ-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001194265402 1368219478 /nfs/dbraw/zinc/21/94/78/1368219478.db2.gz CVFANMPDTFVGEE-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298562 1368257438 /nfs/dbraw/zinc/25/74/38/1368257438.db2.gz DJVGFYGJDCXQEU-MKXGPGLRSA-N 2 0 337.552 3.122 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782342 1368459875 /nfs/dbraw/zinc/45/98/75/1368459875.db2.gz FBPWVNUDFLZPFN-YJKCGTDLSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111817864 1368480327 /nfs/dbraw/zinc/48/03/27/1368480327.db2.gz GNANGGIEAHDUNC-RXVVDRJESA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)(C)C)C3)CC1 ZINC001111855972 1368508550 /nfs/dbraw/zinc/50/85/50/1368508550.db2.gz VFKZKYVFBUPMPN-UWJYYQICSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201049 1368567255 /nfs/dbraw/zinc/56/72/55/1368567255.db2.gz SWVYUCSGCCVYQB-UEKDZROGSA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)c1ccccc1)C2 ZINC001111949851 1368571282 /nfs/dbraw/zinc/57/12/82/1368571282.db2.gz WYTMDHSKLKNXQP-CUWPLCDZSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)c1ccccc1)C2 ZINC001111949852 1368571373 /nfs/dbraw/zinc/57/13/73/1368571373.db2.gz WYTMDHSKLKNXQP-LMNJBCLMSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001196342043 1368593719 /nfs/dbraw/zinc/59/37/19/1368593719.db2.gz VMTIHTBMLVDEJG-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006167 1368608476 /nfs/dbraw/zinc/60/84/76/1368608476.db2.gz LGVKXEWGGLVRJH-ICSRJNTNSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1)[NH+](CC)CC ZINC001197141714 1368753709 /nfs/dbraw/zinc/75/37/09/1368753709.db2.gz NHWMMIAPXJZQIF-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001197158028 1368757276 /nfs/dbraw/zinc/75/72/76/1368757276.db2.gz DDPXRVBAWASPQM-UHFFFAOYSA-N 2 0 345.531 3.129 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197188220 1368761407 /nfs/dbraw/zinc/76/14/07/1368761407.db2.gz WGDAUKSTXXFQGQ-SFHVURJKSA-N 2 0 339.568 3.181 20 0 EGADRP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353679 1368784636 /nfs/dbraw/zinc/78/46/36/1368784636.db2.gz VYJQNPGMSAQEQV-ZVDOUQERSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112396850 1368822419 /nfs/dbraw/zinc/82/24/19/1368822419.db2.gz HDASSWPBESYXFZ-ZJOUEHCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1)C(C)C ZINC001197485060 1368824438 /nfs/dbraw/zinc/82/44/38/1368824438.db2.gz KSTJUCHZYMMCGI-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP CCCC[N@@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197794566 1368897763 /nfs/dbraw/zinc/89/77/63/1368897763.db2.gz LUDBXLGLCRIADE-UHFFFAOYSA-N 2 0 325.541 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001197907482 1368922973 /nfs/dbraw/zinc/92/29/73/1368922973.db2.gz FUYVAODCGTWSCV-LJQANCHMSA-N 2 0 345.531 3.322 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198242951 1368988074 /nfs/dbraw/zinc/98/80/74/1368988074.db2.gz BGHIYEBEDDXTBO-SNAWJCMRSA-N 2 0 335.536 3.143 20 0 EGADRP CC(C)c1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198283392 1368997337 /nfs/dbraw/zinc/99/73/37/1368997337.db2.gz YCJUNQKHJJZFEE-UHFFFAOYSA-N 2 0 345.531 3.185 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966461 1369113405 /nfs/dbraw/zinc/11/34/05/1369113405.db2.gz ZUIFNOIKFBCLIV-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2-n2nnc3ccccc32)CC1 ZINC001199069095 1369176935 /nfs/dbraw/zinc/17/69/35/1369176935.db2.gz OSOCRQTYASUUFE-UHFFFAOYSA-N 2 0 349.482 3.383 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nc3sc(C)nn23)c1 ZINC001200244372 1369334087 /nfs/dbraw/zinc/33/40/87/1369334087.db2.gz SRXOXSRIGPHICT-UHFFFAOYSA-N 2 0 343.500 3.149 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001200346210 1369351143 /nfs/dbraw/zinc/35/11/43/1369351143.db2.gz MVDXZVNRQRJYNG-KRWDZBQOSA-N 2 0 335.923 3.215 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001200578206 1369393464 /nfs/dbraw/zinc/39/34/64/1369393464.db2.gz OHSVJDOKYSUJTD-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001200894324 1369445387 /nfs/dbraw/zinc/44/53/87/1369445387.db2.gz PHGOWSJRVJVKBP-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)CCC1 ZINC001201037996 1369469259 /nfs/dbraw/zinc/46/92/59/1369469259.db2.gz RIPDBVOHRKJNCK-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201043795 1369470462 /nfs/dbraw/zinc/47/04/62/1369470462.db2.gz JMHTWWYHKFCLQX-LJQANCHMSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001201378951 1369530536 /nfs/dbraw/zinc/53/05/36/1369530536.db2.gz RWFITUFECVYYCI-UHFFFAOYSA-N 2 0 335.536 3.186 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](CC2CCCCC2)CC3)cn1 ZINC001201392851 1369534836 /nfs/dbraw/zinc/53/48/36/1369534836.db2.gz FWKBWVWJLZGQGD-UHFFFAOYSA-N 2 0 330.520 3.431 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201399511 1369536794 /nfs/dbraw/zinc/53/67/94/1369536794.db2.gz ILUKPFQMKHNTBO-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC001113643024 1369540469 /nfs/dbraw/zinc/54/04/69/1369540469.db2.gz WANJWZDJKMUAHN-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201461734 1369549677 /nfs/dbraw/zinc/54/96/77/1369549677.db2.gz BBUYIRVJHNQPJZ-UHFFFAOYSA-N 2 0 340.471 3.109 20 0 EGADRP CCCC[C@@H](CC)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001201561308 1369576935 /nfs/dbraw/zinc/57/69/35/1369576935.db2.gz ZQCVYKFDCPIBOG-GOSISDBHSA-N 2 0 347.547 3.027 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC001113723450 1369587121 /nfs/dbraw/zinc/58/71/21/1369587121.db2.gz SYUQNETUGZOWNZ-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CCC(C)C)CC2 ZINC001201618448 1369591334 /nfs/dbraw/zinc/59/13/34/1369591334.db2.gz XXNGWBKUQKRZCD-HXUWFJFHSA-N 2 0 345.531 3.431 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc[nH+]c(C(C)(C)C)c3)cc[nH+]2)CC1 ZINC001201655706 1369598511 /nfs/dbraw/zinc/59/85/11/1369598511.db2.gz QPCKRVWYMTYIMN-UHFFFAOYSA-N 3 0 325.460 3.270 20 0 EGADRP CC(C)Oc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201658589 1369598649 /nfs/dbraw/zinc/59/86/49/1369598649.db2.gz FJNIIIQTUVQOES-UHFFFAOYSA-N 2 0 326.444 3.364 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cnc1OC(C)C ZINC001201659460 1369599243 /nfs/dbraw/zinc/59/92/43/1369599243.db2.gz ZLYNBGJDPJHOHD-UHFFFAOYSA-N 2 0 341.459 3.068 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001202216884 1369716294 /nfs/dbraw/zinc/71/62/94/1369716294.db2.gz DVRFKIKHTFRZSG-UHFFFAOYSA-N 2 0 345.531 3.034 20 0 EGADRP CCCc1ccc(C[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001202231392 1369719747 /nfs/dbraw/zinc/71/97/47/1369719747.db2.gz KQQIRBDLNPONTA-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001202473611 1369782957 /nfs/dbraw/zinc/78/29/57/1369782957.db2.gz LRMPXTRSYKNVER-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP Cc1cccc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)c1 ZINC001202526988 1369799906 /nfs/dbraw/zinc/79/99/06/1369799906.db2.gz UKFPDEQYCMGMMO-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1)c1ccccc1 ZINC001202539068 1369803093 /nfs/dbraw/zinc/80/30/93/1369803093.db2.gz IQWYLKDOWIZYJA-QGZVFWFLSA-N 2 0 345.531 3.306 20 0 EGADRP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202611016 1369823036 /nfs/dbraw/zinc/82/30/36/1369823036.db2.gz IHJFHPVRFVGOCC-RTWAWAEBSA-N 2 0 328.500 3.257 20 0 EGADRP c1cc(C[N@H+]2CCC3(C2)CC[NH+](CCC2CCOCC2)CC3)co1 ZINC001202651681 1369837408 /nfs/dbraw/zinc/83/74/08/1369837408.db2.gz NLRNTVQDJVXITP-UHFFFAOYSA-N 2 0 332.488 3.384 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202872597 1369914386 /nfs/dbraw/zinc/91/43/86/1369914386.db2.gz IUPDAKUOFZFRHO-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202991483 1369948049 /nfs/dbraw/zinc/94/80/49/1369948049.db2.gz MJVAXCRZTHRVAZ-LJQANCHMSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2)CC1)C(C)C ZINC001202990682 1369948080 /nfs/dbraw/zinc/94/80/80/1369948080.db2.gz ADCQTRFTXPKALO-FQEVSTJZSA-N 2 0 345.531 3.134 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203029795 1369960711 /nfs/dbraw/zinc/96/07/11/1369960711.db2.gz VIKOFKCFGQJAOR-IKSUFZCESA-N 2 0 347.547 3.234 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203044703 1369965096 /nfs/dbraw/zinc/96/50/96/1369965096.db2.gz PBLUWDIJJPYNPT-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203102290 1369983861 /nfs/dbraw/zinc/98/38/61/1369983861.db2.gz HQLCQFSRRCYCGK-DLBZAZTESA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203114038 1369987372 /nfs/dbraw/zinc/98/73/72/1369987372.db2.gz NNAWAKPTOVCAAZ-DLBZAZTESA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203114042 1369987594 /nfs/dbraw/zinc/98/75/94/1369987594.db2.gz NNAWAKPTOVCAAZ-IRXDYDNUSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001203180526 1370012569 /nfs/dbraw/zinc/01/25/69/1370012569.db2.gz MZEDHNYUDMCBDL-UXHICEINSA-N 2 0 336.483 3.129 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001203214555 1370028246 /nfs/dbraw/zinc/02/82/46/1370028246.db2.gz LQAHUDYJMVUJML-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259841 1370046564 /nfs/dbraw/zinc/04/65/64/1370046564.db2.gz YNLSHRIJYNRAJG-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001203354665 1370095920 /nfs/dbraw/zinc/09/59/20/1370095920.db2.gz FHZZKGCFJQLTOM-VOTSOKGWSA-N 2 0 344.503 3.088 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001203407262 1370114676 /nfs/dbraw/zinc/11/46/76/1370114676.db2.gz HYGZXSTUIUANCP-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP COc1ccc(OC)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001203526958 1370156354 /nfs/dbraw/zinc/15/63/54/1370156354.db2.gz HRUGSPYFZPFTQX-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203606901 1370185841 /nfs/dbraw/zinc/18/58/41/1370185841.db2.gz SEOYMEAPCVGGBQ-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203631411 1370193894 /nfs/dbraw/zinc/19/38/94/1370193894.db2.gz NMFITSWHGCBNEB-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641169 1370198294 /nfs/dbraw/zinc/19/82/94/1370198294.db2.gz ORXBLIXZWVRBHL-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1C)C2 ZINC001203732775 1370239683 /nfs/dbraw/zinc/23/96/83/1370239683.db2.gz WXKLUKWBDHGIAG-YADHBBJMSA-N 2 0 342.527 3.484 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770671 1370258078 /nfs/dbraw/zinc/25/80/78/1370258078.db2.gz HVMGVSZYCOCORG-QVOQXLMASA-N 2 0 347.547 3.236 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203771101 1370259069 /nfs/dbraw/zinc/25/90/69/1370259069.db2.gz LTYRADDIHIPMKR-ZWKOTPCHSA-N 2 0 335.536 3.070 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204062656 1370364774 /nfs/dbraw/zinc/36/47/74/1370364774.db2.gz QDMJLNWPDWQKKG-ONEGZZNKSA-N 2 0 335.536 3.189 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2ccccc2)cc1 ZINC001204137000 1370386687 /nfs/dbraw/zinc/38/66/87/1370386687.db2.gz ZCTALPSASVTZBG-UHFFFAOYSA-N 2 0 325.500 3.279 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](COCC3CC3)C2)cc1 ZINC001204269857 1370428469 /nfs/dbraw/zinc/42/84/69/1370428469.db2.gz LKUGUKFQZYPHTR-FQEVSTJZSA-N 2 0 346.515 3.266 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OCC1CC1 ZINC001204735570 1370559178 /nfs/dbraw/zinc/55/91/78/1370559178.db2.gz XYBVOULMKUSRMX-UHFFFAOYSA-N 2 0 344.499 3.450 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115562644 1370562158 /nfs/dbraw/zinc/56/21/58/1370562158.db2.gz DJWXJPDKGWRMIP-MRDWYFFCSA-N 2 0 341.927 3.022 20 0 EGADRP CC(C)(C[N@@H+]1CCO[C@@H](CC[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001204756675 1370567708 /nfs/dbraw/zinc/56/77/08/1370567708.db2.gz RPVSPEDGAHVECO-AWEZNQCLSA-N 2 0 328.909 3.260 20 0 EGADRP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)CCO1 ZINC001204756987 1370568484 /nfs/dbraw/zinc/56/84/84/1370568484.db2.gz VWUYFYSIZREDMS-KRWDZBQOSA-N 2 0 332.394 3.181 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115611275 1370610179 /nfs/dbraw/zinc/61/01/79/1370610179.db2.gz APMDNVZNJGJJFM-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP COc1cc(F)ccc1-c1cncc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205058833 1370639790 /nfs/dbraw/zinc/63/97/90/1370639790.db2.gz VRBQSJCCKSOAQH-UHFFFAOYSA-N 2 0 329.419 3.067 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001187276376 1388085367 /nfs/dbraw/zinc/08/53/67/1388085367.db2.gz HYIZFCRDAXRBKP-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]1C[N@H+](Cc2cnc3cc(Br)ccc3c2)C[C@H]1C[NH3+] ZINC001205155658 1370665139 /nfs/dbraw/zinc/66/51/39/1370665139.db2.gz ASEDIYWUGGVHGI-SMDDNHRTSA-N 2 0 334.261 3.024 20 0 EGADRP C[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001205164411 1370667516 /nfs/dbraw/zinc/66/75/16/1370667516.db2.gz FPFKINDSBPXQSR-SFHVURJKSA-N 2 0 335.495 3.211 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115698002 1370679414 /nfs/dbraw/zinc/67/94/14/1370679414.db2.gz QYFHODCUOSOETQ-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001115698228 1370679984 /nfs/dbraw/zinc/67/99/84/1370679984.db2.gz VTMOAKFAXBEZGP-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc(C[NH+]3CCCC3)cn2)cn1 ZINC001205218736 1370685096 /nfs/dbraw/zinc/68/50/96/1370685096.db2.gz VNZWSVXHIDQVTF-UHFFFAOYSA-N 2 0 340.471 3.070 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205219470 1370685290 /nfs/dbraw/zinc/68/52/90/1370685290.db2.gz DPNHEVINBKMRMI-CQSZACIVSA-N 2 0 336.785 3.035 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)cc2)cc1 ZINC001205221353 1370686069 /nfs/dbraw/zinc/68/60/69/1370686069.db2.gz SKTJUYOJUBDYGL-NRFANRHFSA-N 2 0 340.467 3.038 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1)[NH+](CC)CC ZINC001115726923 1370708316 /nfs/dbraw/zinc/70/83/16/1370708316.db2.gz XSSFXFQNPLSQJW-DDKJEQMHSA-N 2 0 343.943 3.268 20 0 EGADRP C[C@H]1CC[N@H+](CCCc2ccccc2Br)C[C@H]1C[NH3+] ZINC001205296376 1370711245 /nfs/dbraw/zinc/71/12/45/1370711245.db2.gz NUUPXMZAVYXHIM-DZGCQCFKSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001115729855 1370711899 /nfs/dbraw/zinc/71/18/99/1370711899.db2.gz VKILTLULIVDQAD-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc3cc(Br)cnc3c2)C[C@H]1C[NH3+] ZINC001205319352 1370721218 /nfs/dbraw/zinc/72/12/18/1370721218.db2.gz ZGMHIQSNYXOFHN-IUODEOHRSA-N 2 0 348.288 3.414 20 0 EGADRP c1ccc([C@H]2CC[N@@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)cc1 ZINC001205339410 1370725990 /nfs/dbraw/zinc/72/59/90/1370725990.db2.gz INKJBFIWECLAND-QFIPXVFZSA-N 2 0 335.495 3.081 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001187307162 1388091865 /nfs/dbraw/zinc/09/18/65/1388091865.db2.gz XHRAXNNTJACCCQ-RBUKOAKNSA-N 2 0 345.531 3.287 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205483644 1370769460 /nfs/dbraw/zinc/76/94/60/1370769460.db2.gz LHKLIYHNEONWRN-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115787004 1370769871 /nfs/dbraw/zinc/76/98/71/1370769871.db2.gz CYRBSIQGRLCPCA-SNAWJCMRSA-N 2 0 349.563 3.483 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](CCc2ccc(Br)cc2)CC1 ZINC001205538890 1370784943 /nfs/dbraw/zinc/78/49/43/1370784943.db2.gz QWDLBGMCFHAYKM-HNNXBMFYSA-N 2 0 329.257 3.145 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115806326 1370789993 /nfs/dbraw/zinc/78/99/93/1370789993.db2.gz SVVTYASAAXCDRB-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC1 ZINC001205592093 1370803495 /nfs/dbraw/zinc/80/34/95/1370803495.db2.gz QYFZSVQZKCSNCQ-QGZVFWFLSA-N 2 0 337.826 3.247 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)n21 ZINC001205591770 1370804171 /nfs/dbraw/zinc/80/41/71/1370804171.db2.gz PCBJBWHKNUXOPJ-KRWDZBQOSA-N 2 0 336.480 3.099 20 0 EGADRP C[C@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001205602634 1370807614 /nfs/dbraw/zinc/80/76/14/1370807614.db2.gz KSQSMCUKLNXVBE-RXVVDRJESA-N 3 0 329.532 3.205 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC[C@H]1C[NH3+] ZINC001205616550 1370811740 /nfs/dbraw/zinc/81/17/40/1370811740.db2.gz GDGQYKLTHFGTOL-NEPJUHHUSA-N 2 0 340.393 3.389 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1OC ZINC001205618611 1370813449 /nfs/dbraw/zinc/81/34/49/1370813449.db2.gz XQROGNJFRAYPAT-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2Oc2cnccn2)CC[C@@H]1C[NH3+] ZINC001205651112 1370827956 /nfs/dbraw/zinc/82/79/56/1370827956.db2.gz AFUKQMZFZGHXOW-JKSUJKDBSA-N 2 0 326.444 3.076 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC[C@@H]1C[NH3+] ZINC001205652683 1370828198 /nfs/dbraw/zinc/82/81/98/1370828198.db2.gz QQBCYVDWPCRXTP-VHSXEESVSA-N 2 0 342.274 3.023 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001205681490 1370841190 /nfs/dbraw/zinc/84/11/90/1370841190.db2.gz KGRLDRYWJDIRGS-HXUWFJFHSA-N 2 0 344.430 3.294 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001205725460 1370852274 /nfs/dbraw/zinc/85/22/74/1370852274.db2.gz HXEOJOOBZJAEDD-HXUWFJFHSA-N 2 0 346.421 3.308 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCc2cccc(Br)c2)CCC1(F)F ZINC001205734263 1370854486 /nfs/dbraw/zinc/85/44/86/1370854486.db2.gz CWAWFZNSTHVNTQ-ZDUSSCGKSA-N 2 0 347.247 3.298 20 0 EGADRP COc1ccc(-c2ccncc2)c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205795165 1370873751 /nfs/dbraw/zinc/87/37/51/1370873751.db2.gz CZZNORHYQBUTBZ-INIZCTEOSA-N 2 0 347.409 3.173 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001116302736 1370882181 /nfs/dbraw/zinc/88/21/81/1370882181.db2.gz DZMIODJXSCMHCM-IAGOWNOFSA-N 2 0 327.472 3.266 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)n(C)n1 ZINC001205896920 1370903280 /nfs/dbraw/zinc/90/32/80/1370903280.db2.gz JUNIMHVZNJESQS-UHFFFAOYSA-N 2 0 344.528 3.278 20 0 EGADRP CC[N@@H+]1CC[C@H](NCc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001116480737 1370921461 /nfs/dbraw/zinc/92/14/61/1370921461.db2.gz QHYKYVRCOOKPNG-WFASDCNBSA-N 2 0 326.868 3.177 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001326040197 1388103767 /nfs/dbraw/zinc/10/37/67/1388103767.db2.gz UXRWLOWEKUOVKU-YWZLYKJASA-N 2 0 337.467 3.083 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205985312 1370929910 /nfs/dbraw/zinc/92/99/10/1370929910.db2.gz XBAXOVPOHCJRSH-LPHOPBHVSA-N 2 0 332.488 3.103 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206022251 1370940945 /nfs/dbraw/zinc/94/09/45/1370940945.db2.gz BQIAIVUZRLYJHV-JSGCOSHPSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206027299 1370941972 /nfs/dbraw/zinc/94/19/72/1370941972.db2.gz VUWJIZUTDMVLED-GJZGRUSLSA-N 2 0 332.879 3.333 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206057574 1370950558 /nfs/dbraw/zinc/95/05/58/1370950558.db2.gz XQKSGCXLYDZNFJ-WAYWQWQTSA-N 2 0 347.503 3.139 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001206074195 1370954799 /nfs/dbraw/zinc/95/47/99/1370954799.db2.gz LRUJXRWHUBMZAF-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP COc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1C(C)(C)C ZINC001206136577 1370968660 /nfs/dbraw/zinc/96/86/60/1370968660.db2.gz UTOUBTOOMMMWIW-UHFFFAOYSA-N 2 0 349.563 3.308 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001206176967 1370982342 /nfs/dbraw/zinc/98/23/42/1370982342.db2.gz XDQAHXUNPHZIOT-GOSISDBHSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206274577 1371010245 /nfs/dbraw/zinc/01/02/45/1371010245.db2.gz JVBGDYACDQGVOL-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001206308006 1371016794 /nfs/dbraw/zinc/01/67/94/1371016794.db2.gz TZWDIIQZUXUWNY-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001206317519 1371019690 /nfs/dbraw/zinc/01/96/90/1371019690.db2.gz GNKRZVBZZLEAKM-HXUWFJFHSA-N 2 0 348.487 3.208 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)ncc1Br ZINC001206318276 1371020352 /nfs/dbraw/zinc/02/03/52/1371020352.db2.gz OXMJZXIQGAONKP-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP CN(C)c1ncccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001117616712 1371056226 /nfs/dbraw/zinc/05/62/26/1371056226.db2.gz GVRUZUNDDKSVNC-SFHVURJKSA-N 2 0 330.520 3.236 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481378 1371067957 /nfs/dbraw/zinc/06/79/57/1371067957.db2.gz GUBALXZAESFHHY-PRPIBZDOSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206487892 1371070044 /nfs/dbraw/zinc/07/00/44/1371070044.db2.gz MIKNMKMBZYZSGY-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206487286 1371070238 /nfs/dbraw/zinc/07/02/38/1371070238.db2.gz BNWZWOZPMCLHBE-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CCOc1ccc(Br)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206500904 1371074593 /nfs/dbraw/zinc/07/45/93/1371074593.db2.gz UFXCLEUKHFXBRB-UHFFFAOYSA-N 2 0 341.293 3.409 20 0 EGADRP Cc1cc(Br)c(C[NH+]2CCC(CC[NH3+])CC2)cc1O ZINC001206506989 1371076774 /nfs/dbraw/zinc/07/67/74/1371076774.db2.gz VKPCWTKQTRJPEH-UHFFFAOYSA-N 2 0 327.266 3.024 20 0 EGADRP COc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc2c1OCC=C2 ZINC001206606521 1371107907 /nfs/dbraw/zinc/10/79/07/1371107907.db2.gz NZWWZJPCUALUFO-GOSISDBHSA-N 2 0 330.472 3.453 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615084 1371109197 /nfs/dbraw/zinc/10/91/97/1371109197.db2.gz BMALYLACOYHDTH-LJQANCHMSA-N 2 0 326.488 3.109 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628860 1371113283 /nfs/dbraw/zinc/11/32/83/1371113283.db2.gz XKHDZCUSGXLDAG-HKUYNNGSSA-N 2 0 339.568 3.227 20 0 EGADRP [NH3+]C[C@H]1CCCCN(Cc2cccnc2OCc2ccccc2)C1 ZINC001206648015 1371118191 /nfs/dbraw/zinc/11/81/91/1371118191.db2.gz KYUXJCGNUTXFEO-GOSISDBHSA-N 2 0 325.456 3.221 20 0 EGADRP COc1c(F)cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1F ZINC001206749708 1371153039 /nfs/dbraw/zinc/15/30/39/1371153039.db2.gz LAGXHBNSPGJGMN-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206772229 1371160391 /nfs/dbraw/zinc/16/03/91/1371160391.db2.gz ZJXGVOIACGAUTD-VXGBXAGGSA-N 2 0 336.277 3.490 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206809631 1371176275 /nfs/dbraw/zinc/17/62/75/1371176275.db2.gz LZJVUDCCWOBEIR-HZPDHXFCSA-N 2 0 325.456 3.316 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c2ccccc12 ZINC001206810807 1371176631 /nfs/dbraw/zinc/17/66/31/1371176631.db2.gz PSPOOLWZRPDOEC-GJZGRUSLSA-N 2 0 328.456 3.416 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001206865515 1371194217 /nfs/dbraw/zinc/19/42/17/1371194217.db2.gz SIWJMSTXLPQSCF-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001206872955 1371199216 /nfs/dbraw/zinc/19/92/16/1371199216.db2.gz ZSOWODIXTVRWAB-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@H+](Cc1ccccc1)C1(CNc2nccnc2C[NH3+])CCCCC1 ZINC001187534984 1388122514 /nfs/dbraw/zinc/12/25/14/1388122514.db2.gz YSDFQEJYKVSOMY-UHFFFAOYSA-N 2 0 339.487 3.182 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206968459 1371251393 /nfs/dbraw/zinc/25/13/93/1371251393.db2.gz IJWGSTIXTIDUGK-ARJAWSKDSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207278930 1371348908 /nfs/dbraw/zinc/34/89/08/1371348908.db2.gz HDZYVAMSLJIGLE-JKSUJKDBSA-N 2 0 341.540 3.199 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283592 1371350693 /nfs/dbraw/zinc/35/06/93/1371350693.db2.gz AUVKKVPGPFVXJV-LEWJYISDSA-N 3 0 343.559 3.418 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH+]3CCC4(CCOC4)CC3)CC2)cc1 ZINC001207286867 1371351475 /nfs/dbraw/zinc/35/14/75/1371351475.db2.gz OINSQIUNXLYKCC-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP COC(=O)C[C@H]1CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292116 1371352555 /nfs/dbraw/zinc/35/25/55/1371352555.db2.gz JZMHWHBCQMSFFN-HXUWFJFHSA-N 2 0 344.499 3.174 20 0 EGADRP c1cn(C2CC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)CC2)cn1 ZINC001207292739 1371353053 /nfs/dbraw/zinc/35/30/53/1371353053.db2.gz YGLIQFLVCQQYMQ-UHFFFAOYSA-N 2 0 338.499 3.432 20 0 EGADRP CC(C)N(C)[C@@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293672 1371354137 /nfs/dbraw/zinc/35/41/37/1371354137.db2.gz JLRSGKQOQYBMFT-OAQYLSRUSA-N 2 0 329.532 3.313 20 0 EGADRP CC(C)[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207401694 1371385728 /nfs/dbraw/zinc/38/57/28/1371385728.db2.gz RKFDDHLZPQXAEI-QGZVFWFLSA-N 2 0 339.524 3.048 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001207485046 1371409489 /nfs/dbraw/zinc/40/94/89/1371409489.db2.gz QQVXWHAOYHUKEZ-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1([NH2+]CC)CCCCC1 ZINC001119993753 1371445872 /nfs/dbraw/zinc/44/58/72/1371445872.db2.gz QPHGBBXOESMRRR-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001120005656 1371452216 /nfs/dbraw/zinc/45/22/16/1371452216.db2.gz UJKYZIDJTWOXOL-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001120041492 1371467409 /nfs/dbraw/zinc/46/74/09/1371467409.db2.gz SUIWQWVZLHUDQV-UHFFFAOYSA-N 2 0 343.531 3.267 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCCC1 ZINC001120045909 1371467641 /nfs/dbraw/zinc/46/76/41/1371467641.db2.gz IJDGDISDZOEIDJ-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC001207696456 1371477497 /nfs/dbraw/zinc/47/74/97/1371477497.db2.gz QSCMACAZHNXTID-XBMUEBEBSA-N 2 0 336.520 3.101 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001207913481 1371536844 /nfs/dbraw/zinc/53/68/44/1371536844.db2.gz LKZBNTWKLJJFMD-LJQANCHMSA-N 2 0 345.575 3.342 20 0 EGADRP CC(C)=CCCC1=CC[C@H](C[NH+]2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001207936963 1371543768 /nfs/dbraw/zinc/54/37/68/1371543768.db2.gz FEYWTXZAEVHYRH-FQEVSTJZSA-N 2 0 331.548 3.391 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120391781 1371557879 /nfs/dbraw/zinc/55/78/79/1371557879.db2.gz GYDBSWPVELSTPF-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431261 1371573574 /nfs/dbraw/zinc/57/35/74/1371573574.db2.gz QXJPJPJTTGSAHV-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439652 1371577438 /nfs/dbraw/zinc/57/74/38/1371577438.db2.gz HTFIDKVQGPWXML-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048308 1371579501 /nfs/dbraw/zinc/57/95/01/1371579501.db2.gz GDSCCVZFWMOBKM-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049696 1371580108 /nfs/dbraw/zinc/58/01/08/1371580108.db2.gz QABIOFVYJZWPTK-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049697 1371580627 /nfs/dbraw/zinc/58/06/27/1371580627.db2.gz QABIOFVYJZWPTK-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450190 1371581010 /nfs/dbraw/zinc/58/10/10/1371581010.db2.gz SZPDPKJOLBWOOF-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120468127 1371587006 /nfs/dbraw/zinc/58/70/06/1371587006.db2.gz BYXSRJSZDOSPCH-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208091864 1371594488 /nfs/dbraw/zinc/59/44/88/1371594488.db2.gz DEIVLNBKAWZHPB-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208108052 1371596460 /nfs/dbraw/zinc/59/64/60/1371596460.db2.gz OMRODHBBUFNOJB-MRXNPFEDSA-N 2 0 339.524 3.098 20 0 EGADRP COC(=O)c1cccc([C@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)c1 ZINC001208115167 1371599232 /nfs/dbraw/zinc/59/92/32/1371599232.db2.gz GAXHHIYJNLCUNU-GOSISDBHSA-N 2 0 330.472 3.342 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114308 1371599949 /nfs/dbraw/zinc/59/99/49/1371599949.db2.gz NBQHTKNXEOCEHW-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CN(CC2(C[NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001208187139 1371625822 /nfs/dbraw/zinc/62/58/22/1371625822.db2.gz HGVRKFMALYGKHN-IBGZPJMESA-N 2 0 329.532 3.315 20 0 EGADRP C[NH+](C)CC1(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC001208188144 1371625983 /nfs/dbraw/zinc/62/59/83/1371625983.db2.gz UHSNWQBTCUTSTI-LEWJYISDSA-N 2 0 341.543 3.315 20 0 EGADRP CCC[NH+]1C[C@H]2C[NH+](CC3(c4ccccc4)CCOCC3)C[C@@H]2C1 ZINC001208233415 1371671688 /nfs/dbraw/zinc/67/16/88/1371671688.db2.gz GVTORGZSYIUOSI-OALUTQOASA-N 2 0 328.500 3.008 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208331406 1371720376 /nfs/dbraw/zinc/72/03/76/1371720376.db2.gz RPRJCDVSVDFGMW-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331195 1371720597 /nfs/dbraw/zinc/72/05/97/1371720597.db2.gz NIFXRQOLEOCABB-SLVIYJBESA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208358696 1371732848 /nfs/dbraw/zinc/73/28/48/1371732848.db2.gz LZEONEUNWVTETH-ASIGSXEYSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1)[NH+](C)C ZINC001208413805 1371758336 /nfs/dbraw/zinc/75/83/36/1371758336.db2.gz BNTASFAQRYQQAD-ZCBOBATRSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001208453310 1371771686 /nfs/dbraw/zinc/77/16/86/1371771686.db2.gz DOHIQTHQNCMTCJ-ZWKOTPCHSA-N 2 0 345.531 3.367 20 0 EGADRP Cc1c(C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001208467393 1371779666 /nfs/dbraw/zinc/77/96/66/1371779666.db2.gz LCRWKHQZFCSVPK-INIZCTEOSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208564604 1371818891 /nfs/dbraw/zinc/81/88/91/1371818891.db2.gz VIBYUKOMDZBMOM-WMZOPIPTSA-N 2 0 342.487 3.211 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC[NH+]3CCCC[C@@H]3C2)cc1 ZINC001208589604 1371830081 /nfs/dbraw/zinc/83/00/81/1371830081.db2.gz WSICFPKZLPFHRQ-NHCUHLMSSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001208598741 1371835200 /nfs/dbraw/zinc/83/52/00/1371835200.db2.gz WZGKPGVKOCQJDK-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208597687 1371835274 /nfs/dbraw/zinc/83/52/74/1371835274.db2.gz KUNUEGXUCWENJP-JOCHJYFZSA-N 3 0 341.543 3.316 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC001208599672 1371836163 /nfs/dbraw/zinc/83/61/63/1371836163.db2.gz KCKHYCLYOADYOC-UHFFFAOYSA-N 2 0 344.528 3.150 20 0 EGADRP CC[NH+]1CCC(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001208601001 1371836315 /nfs/dbraw/zinc/83/63/15/1371836315.db2.gz IZTBXQWSUHEWPX-QFIPXVFZSA-N 2 0 341.543 3.414 20 0 EGADRP CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208603305 1371837498 /nfs/dbraw/zinc/83/74/98/1371837498.db2.gz AWAUCHWOCZPSNT-SFHVURJKSA-N 2 0 343.515 3.236 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CCC[C@]3(CC[NH+]3Cc3cccc(F)c3)C2)C1 ZINC001208609909 1371840205 /nfs/dbraw/zinc/84/02/05/1371840205.db2.gz XMGHONARGUQFOW-FPOVZHCZSA-N 2 0 345.506 3.208 20 0 EGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CCC1CC1)CC2 ZINC001208681444 1371859519 /nfs/dbraw/zinc/85/95/19/1371859519.db2.gz WOVVMFCHAYOEFA-HXUWFJFHSA-N 2 0 343.515 3.185 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208749730 1371883373 /nfs/dbraw/zinc/88/33/73/1371883373.db2.gz VSPOUPZDKHDBAP-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208771219 1371891792 /nfs/dbraw/zinc/89/17/92/1371891792.db2.gz XIHZDILDONHZBD-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CN1CCC[C@@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824420 1371906692 /nfs/dbraw/zinc/90/66/92/1371906692.db2.gz HVTVNQKWLOIKAM-NVXWUHKLSA-N 2 0 337.305 3.408 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001121288317 1371923067 /nfs/dbraw/zinc/92/30/67/1371923067.db2.gz CFNXMXVIACHLHU-GRFHQPFKSA-N 2 0 347.547 3.211 20 0 EGADRP c1ccc(N2CCC(C[NH+]3CCC([NH+]4CCCC4)CC3)CC2)cc1 ZINC001208908325 1371940178 /nfs/dbraw/zinc/94/01/78/1371940178.db2.gz SDFXLCPOTFGPFT-UHFFFAOYSA-N 2 0 327.516 3.463 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC001208931476 1371950163 /nfs/dbraw/zinc/95/01/63/1371950163.db2.gz KNOSDWUCAAPWCC-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+]4CCCC[C@@H]4C3)C2)cc1 ZINC001208936199 1371952285 /nfs/dbraw/zinc/95/22/85/1371952285.db2.gz MMPSSTAXOXICBK-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC001208952543 1371959798 /nfs/dbraw/zinc/95/97/98/1371959798.db2.gz KJOFGZJTTMGSMW-HXUWFJFHSA-N 2 0 328.500 3.401 20 0 EGADRP CC[NH+](CC)C1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949716 1371961492 /nfs/dbraw/zinc/96/14/92/1371961492.db2.gz ODAAUNHIJCLXIB-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCC4(CCCOC4)CC3)C2)cc1 ZINC001208959569 1371961567 /nfs/dbraw/zinc/96/15/67/1371961567.db2.gz SNFZIESAOTWKRE-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001121508769 1371995400 /nfs/dbraw/zinc/99/54/00/1371995400.db2.gz UWGKOYMETBSJNN-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)CCC[N@H+](C)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209166354 1372020444 /nfs/dbraw/zinc/02/04/44/1372020444.db2.gz ZBOVNKTYIQGDEQ-INIZCTEOSA-N 2 0 327.513 3.050 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(CC)CC)C2)C1 ZINC001209205702 1372038010 /nfs/dbraw/zinc/03/80/10/1372038010.db2.gz RGHMVVBZYOIAKQ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP COCCCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001209216783 1372040224 /nfs/dbraw/zinc/04/02/24/1372040224.db2.gz SSVKUNGLEXGXAL-UHFFFAOYSA-N 2 0 346.515 3.088 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001121687804 1372047173 /nfs/dbraw/zinc/04/71/73/1372047173.db2.gz XNORDCLRIKVXJR-AATRIKPKSA-N 2 0 347.547 3.092 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001209278972 1372056490 /nfs/dbraw/zinc/05/64/90/1372056490.db2.gz TYOQSBKINSJJAW-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP COCC[N@H+](CCc1ccccc1C(F)(F)F)C1CCN(C)CC1 ZINC001209284470 1372057107 /nfs/dbraw/zinc/05/71/07/1372057107.db2.gz HKEJWBIUFXGGOB-UHFFFAOYSA-N 2 0 344.421 3.291 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2)[NH+](C)C ZINC001121727838 1372061038 /nfs/dbraw/zinc/06/10/38/1372061038.db2.gz JFAOYRHATWUGIG-MBEFBZSESA-N 2 0 349.563 3.170 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001209316294 1372067001 /nfs/dbraw/zinc/06/70/01/1372067001.db2.gz ZUJWTMLYWBEZCW-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323812 1372070186 /nfs/dbraw/zinc/07/01/86/1372070186.db2.gz MRNHXBZWGUTFDN-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767566 1372075016 /nfs/dbraw/zinc/07/50/16/1372075016.db2.gz HLCDSLCSSQUEIW-XKZCYDSASA-N 2 0 347.547 3.234 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)CC1C[C@@H](C)O[C@H](C)C1 ZINC001209398571 1372091786 /nfs/dbraw/zinc/09/17/86/1372091786.db2.gz PBCPSPGJFQYXJO-RTBURBONSA-N 2 0 341.584 3.176 20 0 EGADRP CC(C)(C)OC(=O)N[C@]1(C)CCCN(CCC[NH+]2CCCCC2)C1 ZINC001209447701 1372108171 /nfs/dbraw/zinc/10/81/71/1372108171.db2.gz CQRAGFPCMAEOIG-LJQANCHMSA-N 2 0 339.524 3.242 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC001121897322 1372117476 /nfs/dbraw/zinc/11/74/76/1372117476.db2.gz YQZXSDGHHMNOHZ-YUCHZMFVSA-N 2 0 346.519 3.186 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3c2cccc3C)CC1 ZINC001209488172 1372119018 /nfs/dbraw/zinc/11/90/18/1372119018.db2.gz UMPQXTMIQBJPAH-UHFFFAOYSA-N 2 0 342.531 3.326 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001209614092 1372151662 /nfs/dbraw/zinc/15/16/62/1372151662.db2.gz NANQZSYWZVMWAX-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[NH2+]C1CC2(CC(NC(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001122057362 1372164314 /nfs/dbraw/zinc/16/43/14/1372164314.db2.gz XLQMEBLACWXEFG-FCOWATRHSA-N 2 0 343.515 3.106 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122243054 1372209874 /nfs/dbraw/zinc/20/98/74/1372209874.db2.gz YQLCDZBDSKJQAG-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209950660 1372239236 /nfs/dbraw/zinc/23/92/36/1372239236.db2.gz GMRCOOUAISONPP-OALUTQOASA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001209951890 1372240518 /nfs/dbraw/zinc/24/05/18/1372240518.db2.gz OGCIYWLNTDWIAS-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1cc(N)[nH+]cc1Nc1ccccc1OCC1CC[NH+](C)CC1 ZINC001209971014 1372244524 /nfs/dbraw/zinc/24/45/24/1372244524.db2.gz OXXDWWUZYAPWJH-UHFFFAOYSA-N 2 0 326.444 3.436 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1)c1ccccc1 ZINC001210216848 1372296076 /nfs/dbraw/zinc/29/60/76/1372296076.db2.gz AIPONPHGURWOBH-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)n1ncc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc21 ZINC001210268013 1372311002 /nfs/dbraw/zinc/31/10/02/1372311002.db2.gz RGHZRBONKUBUQB-UHFFFAOYSA-N 2 0 336.443 3.165 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001211126821 1372487920 /nfs/dbraw/zinc/48/79/20/1372487920.db2.gz WDWPMUNUZFUINV-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001211240754 1372509928 /nfs/dbraw/zinc/50/99/28/1372509928.db2.gz PGUSODAHACUEMX-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001211241413 1372510016 /nfs/dbraw/zinc/51/00/16/1372510016.db2.gz URBDEJFRZFOLPN-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211261873 1372514678 /nfs/dbraw/zinc/51/46/78/1372514678.db2.gz FHHMEVOVCYIKSH-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(-c2ccc(-c3noc(CC4([NH3+])CC[NH2+]CC4)n3)cc2)cc1 ZINC001212171626 1372666352 /nfs/dbraw/zinc/66/63/52/1372666352.db2.gz XPFRNLRAMGWHKQ-UHFFFAOYSA-N 2 0 348.450 3.335 20 0 EGADRP COc1cccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1C1CC1 ZINC001213803093 1372963676 /nfs/dbraw/zinc/96/36/76/1372963676.db2.gz QTWPJFLQFJGWKZ-UHFFFAOYSA-N 2 0 338.455 3.463 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001188106258 1388243167 /nfs/dbraw/zinc/24/31/67/1388243167.db2.gz FTMDVSCLOJWUCE-AZUAARDMSA-N 2 0 343.515 3.123 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356465 1373117796 /nfs/dbraw/zinc/11/77/96/1373117796.db2.gz DCYWUAHIPRQFGF-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001215020671 1373157625 /nfs/dbraw/zinc/15/76/25/1373157625.db2.gz ZXOVHHJZEOLQDY-SJLPKXTDSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846470 1373351170 /nfs/dbraw/zinc/35/11/70/1373351170.db2.gz GWXNSSBWMCQHJD-PFRNKHFKSA-N 2 0 349.563 3.290 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001129410885 1373381605 /nfs/dbraw/zinc/38/16/05/1373381605.db2.gz QYZJHHYPTRJBIN-IBGZPJMESA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001129422069 1373382256 /nfs/dbraw/zinc/38/22/56/1373382256.db2.gz DXMXJCWTQFUFCQ-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP [NH3+]Cc1ccccc1-c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001217059630 1373383372 /nfs/dbraw/zinc/38/33/72/1373383372.db2.gz VQHFYNSVTMSKFC-UKTHLTGXSA-N 2 0 347.422 3.324 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429914 1373383371 /nfs/dbraw/zinc/38/33/71/1373383371.db2.gz MQAMNWWFBXJFIW-XLIONFOSSA-N 2 0 343.515 3.169 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001129952872 1373439732 /nfs/dbraw/zinc/43/97/32/1373439732.db2.gz AUBDAKCUJVUQPA-JXFKEZNVSA-N 2 0 341.499 3.193 20 0 EGADRP [NH3+]CC1CCC(c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)CC1 ZINC001217729547 1373496018 /nfs/dbraw/zinc/49/60/18/1373496018.db2.gz AFFWGNRCHAPRCC-VJFUWPCTSA-N 2 0 340.471 3.292 20 0 EGADRP CCCCOc1ccc(-c2nnc([C@@](C)([NH3+])CCCC[NH3+])o2)cc1 ZINC001217755627 1373499094 /nfs/dbraw/zinc/49/90/94/1373499094.db2.gz JDXDUTQXVLVGMG-SFHVURJKSA-N 2 0 332.448 3.218 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217755240 1373499331 /nfs/dbraw/zinc/49/93/31/1373499331.db2.gz FWJZRWNWGVACRF-ZQIUZPCESA-N 2 0 334.851 3.297 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCCC2CC[NH2+]CC2)O1 ZINC001217913574 1373512422 /nfs/dbraw/zinc/51/24/22/1373512422.db2.gz XSJDYQVGKKONGN-HXUWFJFHSA-N 2 0 346.515 3.072 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCC[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC001217931240 1373513588 /nfs/dbraw/zinc/51/35/88/1373513588.db2.gz STKKEPOUABILRN-HZEGPAAWSA-N 2 0 328.500 3.303 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)c(C)c1 ZINC001130622290 1373570694 /nfs/dbraw/zinc/57/06/94/1373570694.db2.gz BGXPYNHIKWXBGF-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001130622392 1373571095 /nfs/dbraw/zinc/57/10/95/1373571095.db2.gz GQXGHYQUIAMOEH-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1c(C(=O)NCC[NH2+]CC[C@@H]2CCC[C@H](C)C2)ccc2c[nH+]cn21 ZINC001130658683 1373577085 /nfs/dbraw/zinc/57/70/85/1373577085.db2.gz KDFLRGMFDMBFLA-RDJZCZTQSA-N 2 0 342.487 3.179 20 0 EGADRP CC[C@@]1(c2cccc(OC[C@H]3C[NH2+]CCCO3)c2)CCCC[N@H+](C)C1 ZINC001218301181 1373590861 /nfs/dbraw/zinc/59/08/61/1373590861.db2.gz ZAYFGOXDUIHNGU-NHCUHLMSSA-N 2 0 346.515 3.207 20 0 EGADRP F[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001218320437 1373595301 /nfs/dbraw/zinc/59/53/01/1373595301.db2.gz YVGGWVZTTITULW-MJGOQNOKSA-N 2 0 343.446 3.300 20 0 EGADRP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2C=CC[NH2+]C2)cc13 ZINC001218333254 1373598836 /nfs/dbraw/zinc/59/88/36/1373598836.db2.gz DAQLQZLDHLLHMI-YVNJGZBMSA-N 2 0 338.495 3.282 20 0 EGADRP [NH3+]CCc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001218410602 1373609387 /nfs/dbraw/zinc/60/93/87/1373609387.db2.gz GKBTXPYSGVETRN-IBGZPJMESA-N 2 0 330.859 3.495 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccccc1-c1ccc(F)c(F)c1 ZINC001218850577 1373660295 /nfs/dbraw/zinc/66/02/95/1373660295.db2.gz SLCDNVALDGOBQS-INIZCTEOSA-N 2 0 333.382 3.027 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(C2CCOCC2)cc1 ZINC001218897625 1373665256 /nfs/dbraw/zinc/66/52/56/1373665256.db2.gz DXZKFEDKZLSWDC-IBGZPJMESA-N 2 0 347.503 3.015 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001218994019 1373675752 /nfs/dbraw/zinc/67/57/52/1373675752.db2.gz ZRWAZBGPSSFKGO-LJQANCHMSA-N 2 0 349.478 3.449 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001218997707 1373676790 /nfs/dbraw/zinc/67/67/90/1373676790.db2.gz WDMWFMAGGTYAKX-HSALFYBXSA-N 2 0 349.478 3.095 20 0 EGADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])CCC[NH3+])C(C)(C)CCC2(C)C ZINC001219132320 1373689521 /nfs/dbraw/zinc/68/95/21/1373689521.db2.gz KEDAPTWQIDEPRM-HNNXBMFYSA-N 2 0 347.503 3.049 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccccc1-c1ccncc1 ZINC001219328868 1373701079 /nfs/dbraw/zinc/70/10/79/1373701079.db2.gz ONSMZPBGGWVROF-SFHVURJKSA-N 2 0 340.471 3.183 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1 ZINC001219347142 1373702697 /nfs/dbraw/zinc/70/26/97/1373702697.db2.gz IZFXTBYLAONGBG-OAHLLOKOSA-N 2 0 337.345 3.193 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)NC[C@@]1(F)CCC[NH2+]C1)c1ccccc1 ZINC001219768173 1373731943 /nfs/dbraw/zinc/73/19/43/1373731943.db2.gz KPORCCDDLMPVPJ-UYAOXDASSA-N 2 0 349.494 3.058 20 0 EGADRP [NH3+][C@@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccc2ccccc2c1 ZINC001219954714 1373741366 /nfs/dbraw/zinc/74/13/66/1373741366.db2.gz OPAGVJFGDZACIM-HXUWFJFHSA-N 2 0 339.483 3.268 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001221374194 1373770994 /nfs/dbraw/zinc/77/09/94/1373770994.db2.gz ACVJMICJNJGJBK-ZWKOTPCHSA-N 2 0 331.504 3.141 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001131799290 1373809524 /nfs/dbraw/zinc/80/95/24/1373809524.db2.gz LVXJNWHWPPYKIK-IBGZPJMESA-N 2 0 345.531 3.356 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCCC(C)(C)C)CCCCC1 ZINC001131799623 1373810640 /nfs/dbraw/zinc/81/06/40/1373810640.db2.gz SYBSJLSAFCPPJI-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP Clc1ccc2c(c1)C1(CN2)CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001222172977 1373819014 /nfs/dbraw/zinc/81/90/14/1373819014.db2.gz PBRVSCVODSPWEX-HNNXBMFYSA-N 2 0 333.907 3.489 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC001131844172 1373834144 /nfs/dbraw/zinc/83/41/44/1373834144.db2.gz COSMVNPNICTTRF-GOSISDBHSA-N 2 0 349.494 3.247 20 0 EGADRP Fc1ccc(-c2ccc(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)cc2)cc1 ZINC001222497745 1373849879 /nfs/dbraw/zinc/84/98/79/1373849879.db2.gz YWBBCBUMDYAOKL-SFTDATJTSA-N 2 0 339.458 3.019 20 0 EGADRP CCC(CC)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929490 1375048125 /nfs/dbraw/zinc/04/81/25/1375048125.db2.gz YAVLRZNBZDFHRX-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC3=CCCCC3)[C@H]2C1 ZINC001223962480 1375049619 /nfs/dbraw/zinc/04/96/19/1375049619.db2.gz QMCBHWOWZGFCHN-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC001224754484 1375074529 /nfs/dbraw/zinc/07/45/29/1375074529.db2.gz WZQWWMBZAOYZNB-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001225558042 1375124733 /nfs/dbraw/zinc/12/47/33/1375124733.db2.gz ZAKCTBLHDCLVHV-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC1CCC1 ZINC001132105643 1375150081 /nfs/dbraw/zinc/15/00/81/1375150081.db2.gz KQDIDVZQDUEPPB-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132105339 1375150435 /nfs/dbraw/zinc/15/04/35/1375150435.db2.gz FPMFXRSXEQQPBW-IKSUFZCESA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CCCCCC1 ZINC001132105552 1375150692 /nfs/dbraw/zinc/15/06/92/1375150692.db2.gz IUJNHYFDFVCGTM-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152383 1375171341 /nfs/dbraw/zinc/17/13/41/1375171341.db2.gz BBCPGUHFFRBFRY-WBVHZDCISA-N 2 0 325.541 3.122 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132153890 1375174186 /nfs/dbraw/zinc/17/41/86/1375174186.db2.gz USTVXDZRCSQTEH-FPZRGXOSSA-N 2 0 340.471 3.273 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132154380 1375174230 /nfs/dbraw/zinc/17/42/30/1375174230.db2.gz ZWKJMJPNUSJNMG-AEFFLSMTSA-N 2 0 349.563 3.266 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132269487 1375257399 /nfs/dbraw/zinc/25/73/99/1375257399.db2.gz KOEGCZANTSDIOC-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCC1CCCCCC1 ZINC001132277083 1375261417 /nfs/dbraw/zinc/26/14/17/1375261417.db2.gz AQIPEPXTDPXVIC-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@@H+]1CC1=CCCCC1 ZINC001132311312 1375290598 /nfs/dbraw/zinc/29/05/98/1375290598.db2.gz SRILVZUORMDGBA-HKUYNNGSSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC2)C1 ZINC001132366143 1375330867 /nfs/dbraw/zinc/33/08/67/1375330867.db2.gz XDSPJQZVEHDFDL-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132376618 1375337919 /nfs/dbraw/zinc/33/79/19/1375337919.db2.gz PGBUCMCXBSMFJA-MOPGFXCFSA-N 2 0 345.531 3.114 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132375624 1375338230 /nfs/dbraw/zinc/33/82/30/1375338230.db2.gz GGDOSEOICFEEAF-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C)C1CC1 ZINC001226801183 1375338456 /nfs/dbraw/zinc/33/84/56/1375338456.db2.gz ULOLDBCRFGRVFO-KZNAEPCWSA-N 2 0 337.552 3.170 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132376702 1375339220 /nfs/dbraw/zinc/33/92/20/1375339220.db2.gz PKYXJVAJESFQIA-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132376949 1375339310 /nfs/dbraw/zinc/33/93/10/1375339310.db2.gz RZPDRKJLTBLLRW-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226889995 1375353190 /nfs/dbraw/zinc/35/31/90/1375353190.db2.gz FARVVHAXZIUKGD-HVLDZDKDSA-N 2 0 335.536 3.234 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226891967 1375353545 /nfs/dbraw/zinc/35/35/45/1375353545.db2.gz WYJIGGYQDPUCOQ-IPMKNSEASA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132411052 1375359824 /nfs/dbraw/zinc/35/98/24/1375359824.db2.gz SFVIJBKZAIOAPO-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001226932649 1375360629 /nfs/dbraw/zinc/36/06/29/1375360629.db2.gz NGNHPGGGOIAORU-QRVBRYPASA-N 2 0 335.536 3.090 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132433040 1375378321 /nfs/dbraw/zinc/37/83/21/1375378321.db2.gz JRNHZGXOAFVWJC-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1=CCCCC1 ZINC001132436596 1375381526 /nfs/dbraw/zinc/38/15/26/1375381526.db2.gz MTGRGDODOYZRRB-HKUYNNGSSA-N 2 0 335.536 3.188 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132436998 1375381720 /nfs/dbraw/zinc/38/17/20/1375381720.db2.gz ORXXMZXXNHSSFU-YZBXUTEPSA-N 2 0 337.552 3.434 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132441415 1375384758 /nfs/dbraw/zinc/38/47/58/1375384758.db2.gz OOCDYGKIEFPLQH-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001227149650 1375397841 /nfs/dbraw/zinc/39/78/41/1375397841.db2.gz ASWZBSMXAJMBKP-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001227218542 1375407969 /nfs/dbraw/zinc/40/79/69/1375407969.db2.gz XDACFHDVWMPIRT-QZTJIDSGSA-N 2 0 337.552 3.312 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132525492 1375441863 /nfs/dbraw/zinc/44/18/63/1375441863.db2.gz SMQZFBBKHZTEFE-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001227876095 1375485950 /nfs/dbraw/zinc/48/59/50/1375485950.db2.gz FCBYEGIEUGKMQG-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001228440780 1375573227 /nfs/dbraw/zinc/57/32/27/1375573227.db2.gz OLSAIKLYCGRQIX-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132823256 1375584414 /nfs/dbraw/zinc/58/44/14/1375584414.db2.gz BTCULEYOSOMPAB-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887581 1375625060 /nfs/dbraw/zinc/62/50/60/1375625060.db2.gz GHQVZGQCZKWHNL-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950815 1375668154 /nfs/dbraw/zinc/66/81/54/1375668154.db2.gz QTUGFVMCQBPWCL-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012278 1375709853 /nfs/dbraw/zinc/70/98/53/1375709853.db2.gz QMNKJHCTRFZSTO-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001228924876 1375716672 /nfs/dbraw/zinc/71/66/72/1375716672.db2.gz KQGZYVUBJPKAEY-GUDVDZBRSA-N 2 0 335.536 3.234 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001228932720 1375720085 /nfs/dbraw/zinc/72/00/85/1375720085.db2.gz SSLQGWOSZADHSM-OHPBWSAHSA-N 2 0 341.927 3.019 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001229200280 1375786068 /nfs/dbraw/zinc/78/60/68/1375786068.db2.gz NZEIOMAOSWTCPE-VOTSOKGWSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001229214094 1375788711 /nfs/dbraw/zinc/78/87/11/1375788711.db2.gz AKUDPQIBRBMAAB-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)C1 ZINC001229692550 1375877377 /nfs/dbraw/zinc/87/73/77/1375877377.db2.gz JKEHTNLNXQFQLU-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)cc(C)c1 ZINC001229859745 1375906002 /nfs/dbraw/zinc/90/60/02/1375906002.db2.gz DCSYESGPFZUPJP-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229985914 1375924951 /nfs/dbraw/zinc/92/49/51/1375924951.db2.gz XXEDLWXHVPYCTG-UWJYYQICSA-N 2 0 345.531 3.090 20 0 EGADRP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230017474 1375931410 /nfs/dbraw/zinc/93/14/10/1375931410.db2.gz WVFQODXRYLNBGW-MJGOQNOKSA-N 2 0 349.494 3.008 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC001230274797 1375980468 /nfs/dbraw/zinc/98/04/68/1375980468.db2.gz MKAOIQZTVUPMSB-BHIYHBOVSA-N 2 0 331.504 3.105 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccc(Cl)cc1 ZINC001133433997 1376003962 /nfs/dbraw/zinc/00/39/62/1376003962.db2.gz GVQZIVWOGSNAOP-IAGOWNOFSA-N 2 0 339.911 3.083 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccc(Cl)cc1 ZINC001133433996 1376004527 /nfs/dbraw/zinc/00/45/27/1376004527.db2.gz GVQZIVWOGSNAOP-DLBZAZTESA-N 2 0 339.911 3.083 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378576 1376011142 /nfs/dbraw/zinc/01/11/42/1376011142.db2.gz PPMJRRVNGKMBSO-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001230378906 1376011353 /nfs/dbraw/zinc/01/13/53/1376011353.db2.gz WMWPUFOFBZTRAD-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230378690 1376011519 /nfs/dbraw/zinc/01/15/19/1376011519.db2.gz TUJOWQCUDXRXEY-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611727 1376102482 /nfs/dbraw/zinc/10/24/82/1376102482.db2.gz YZDYPGYMELXHJA-PKOBYXMFSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@]1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]C1 ZINC001327181539 1388427719 /nfs/dbraw/zinc/42/77/19/1388427719.db2.gz RQFFSDQFTQJIOQ-OAQYLSRUSA-N 2 0 343.515 3.069 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccc2ccccc2c1 ZINC001133834447 1376223887 /nfs/dbraw/zinc/22/38/87/1376223887.db2.gz YEOYDJKXZGHMAT-DLBZAZTESA-N 2 0 339.483 3.091 20 0 EGADRP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016508 1376385883 /nfs/dbraw/zinc/38/58/83/1376385883.db2.gz YMHOHUXYIMHYMJ-UHFFFAOYSA-N 2 0 332.448 3.298 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)CCCC(=O)c2cccnc2)c1 ZINC001232146517 1376408312 /nfs/dbraw/zinc/40/83/12/1376408312.db2.gz RRHLWUFOUKXZIV-UHFFFAOYSA-N 2 0 343.446 3.377 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001232143327 1376408498 /nfs/dbraw/zinc/40/84/98/1376408498.db2.gz BATHVPZEQMEZRC-OAQYLSRUSA-N 2 0 341.474 3.376 20 0 EGADRP c1nscc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001232228802 1376420046 /nfs/dbraw/zinc/42/00/46/1376420046.db2.gz ZHEHAXUACVUTKG-UHFFFAOYSA-N 2 0 328.485 3.026 20 0 EGADRP Nc1ccc(F)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511811 1376473047 /nfs/dbraw/zinc/47/30/47/1376473047.db2.gz RZBVGMAQLGZHGW-MJGOQNOKSA-N 2 0 339.458 3.362 20 0 EGADRP CCOC(=O)c1ccsc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001233023969 1376555740 /nfs/dbraw/zinc/55/57/40/1376555740.db2.gz PSUKGAMOYKFWQT-UHFFFAOYSA-N 2 0 336.501 3.233 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2C)cc1 ZINC001134556258 1376592212 /nfs/dbraw/zinc/59/22/12/1376592212.db2.gz QZMJIJXWKWUSTF-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134584144 1376608494 /nfs/dbraw/zinc/60/84/94/1376608494.db2.gz QWIZSPPWYJNELT-DLBZAZTESA-N 2 0 345.531 3.106 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612016 1376624154 /nfs/dbraw/zinc/62/41/54/1376624154.db2.gz GKXXAHZVRGLURV-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773350 1376714006 /nfs/dbraw/zinc/71/40/06/1376714006.db2.gz NXTLMXYKRMIARZ-IAGOWNOFSA-N 2 0 347.547 3.352 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCC1 ZINC001134857519 1376757286 /nfs/dbraw/zinc/75/72/86/1376757286.db2.gz DRPMYBHUIMHDPB-SJORKVTESA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1=CCCCC1 ZINC001134857532 1376757696 /nfs/dbraw/zinc/75/76/96/1376757696.db2.gz DZEDJBFFICILFS-MSOLQXFVSA-N 2 0 347.547 3.378 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858508 1376757770 /nfs/dbraw/zinc/75/77/70/1376757770.db2.gz VFPOJJVLNWJKFN-DLBZAZTESA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892451 1376771476 /nfs/dbraw/zinc/77/14/76/1376771476.db2.gz MBKWFCZPZHZFCA-JKSUJKDBSA-N 2 0 342.487 3.401 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)(C)C ZINC001234215689 1376788744 /nfs/dbraw/zinc/78/87/44/1376788744.db2.gz OPEUMGBAIJJZRR-ROUUACIJSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH2+]Cc1ccccc1 ZINC001134994666 1376834012 /nfs/dbraw/zinc/83/40/12/1376834012.db2.gz VEQATPNLHDCMMJ-CVEARBPZSA-N 2 0 336.439 3.021 20 0 EGADRP c1cc(Oc2ccccc2)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)s1 ZINC001235036312 1376834223 /nfs/dbraw/zinc/83/42/23/1376834223.db2.gz LMZCZNNPIKNOPZ-CRAIPNDOSA-N 2 0 344.480 3.351 20 0 EGADRP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235039381 1376838847 /nfs/dbraw/zinc/83/88/47/1376838847.db2.gz ZKMVHXZXLBRULO-DUXKGJEZSA-N 2 0 330.516 3.299 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CCCC[C@]34CC[NH2+]C4)C2)cc1 ZINC001235120401 1376851280 /nfs/dbraw/zinc/85/12/80/1376851280.db2.gz AQVLJENAOBOOPA-LEWJYISDSA-N 2 0 327.516 3.117 20 0 EGADRP COc1cccc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235428815 1376870400 /nfs/dbraw/zinc/87/04/00/1376870400.db2.gz REEIEQSWKULOJC-JKSUJKDBSA-N 2 0 327.472 3.388 20 0 EGADRP [NH3+]CCN(CC[NH3+])Cc1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001235878043 1376908237 /nfs/dbraw/zinc/90/82/37/1376908237.db2.gz RSRTXFZFTRQRLT-UHFFFAOYSA-N 2 0 337.389 3.092 20 0 EGADRP O=c1[nH]c2ccccc2c(Cl)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236006111 1376925436 /nfs/dbraw/zinc/92/54/36/1376925436.db2.gz NKPRKIRPIWRVCV-UHFFFAOYSA-N 2 0 331.847 3.169 20 0 EGADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C2)C1 ZINC001236074261 1376930968 /nfs/dbraw/zinc/93/09/68/1376930968.db2.gz WBNMELXVDWMTHA-QGZVFWFLSA-N 2 0 345.874 3.207 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181180 1376952969 /nfs/dbraw/zinc/95/29/69/1376952969.db2.gz MRRYLLPMGWXWMV-JKSUJKDBSA-N 2 0 337.552 3.170 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2cccc(Cn3cc[nH+]c3N)c2)cc1 ZINC001242152228 1377023043 /nfs/dbraw/zinc/02/30/43/1377023043.db2.gz DWNVTBKDEOBSGS-UHFFFAOYSA-N 2 0 336.439 3.121 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1occc1C[NH+](C)C ZINC001135297912 1377026492 /nfs/dbraw/zinc/02/64/92/1377026492.db2.gz JRNOHKRNFJEUQJ-KBPBESRZSA-N 2 0 349.500 3.089 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)s1 ZINC001135320423 1377036843 /nfs/dbraw/zinc/03/68/43/1377036843.db2.gz OJZNMBINZKPJOJ-UONOGXRCSA-N 2 0 339.549 3.080 20 0 EGADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246156480 1377050271 /nfs/dbraw/zinc/05/02/71/1377050271.db2.gz MTOCOWZAUYNQEB-MGBSGCIJSA-N 2 0 340.920 3.035 20 0 EGADRP CCCC[C@H]1C[C@H](NC2(c3ccc(OC)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380749 1377051708 /nfs/dbraw/zinc/05/17/08/1377051708.db2.gz MVRVLBAAJCSPLV-RBUKOAKNSA-N 2 0 345.531 3.174 20 0 EGADRP COc1ccc(C2([NH2+][C@H](C)CCOCC(C)C)CC[NH2+]CC2)cc1 ZINC001246381705 1377051737 /nfs/dbraw/zinc/05/17/37/1377051737.db2.gz UPGKAQHUPVAIHW-QGZVFWFLSA-N 2 0 334.504 3.315 20 0 EGADRP CCCC[C@H]1C[C@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380426 1377051741 /nfs/dbraw/zinc/05/17/41/1377051741.db2.gz HCGJRZVKWWOWKV-RBUKOAKNSA-N 2 0 347.522 3.391 20 0 EGADRP C[NH2+]C1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001246723533 1377053612 /nfs/dbraw/zinc/05/36/12/1377053612.db2.gz JPFHLFQPWXUBGW-KMEYYKJISA-N 2 0 329.488 3.093 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(CC[NH3+])Cc1ccc(Cl)cc1Cl)C2 ZINC001246821013 1377055283 /nfs/dbraw/zinc/05/52/83/1377055283.db2.gz LNGUXIRAVLHQBU-MUJYYYPQSA-N 2 0 342.314 3.379 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001327276677 1388477293 /nfs/dbraw/zinc/47/72/93/1388477293.db2.gz DTTNUWWCVQAKAG-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001135436972 1377097271 /nfs/dbraw/zinc/09/72/71/1377097271.db2.gz IGVSXXPAAXYGIG-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP C[N@H+]([C@@H]1CCC[NH+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529468 1377106648 /nfs/dbraw/zinc/10/66/48/1377106648.db2.gz GHHLFVCTPUKAKH-APWZRJJASA-N 2 0 339.524 3.192 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135476369 1377110862 /nfs/dbraw/zinc/11/08/62/1377110862.db2.gz KBWJOVXNTKROOR-QZTJIDSGSA-N 2 0 347.547 3.346 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477481 1377111402 /nfs/dbraw/zinc/11/14/02/1377111402.db2.gz VNGFZBHRSHFUCN-WMXNSBIJSA-N 2 0 325.541 3.194 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1C)C(C)C ZINC001135478150 1377111700 /nfs/dbraw/zinc/11/17/00/1377111700.db2.gz WRFQTCUFOWBIEA-IEBWSBKVSA-N 2 0 333.520 3.128 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614040 1377162353 /nfs/dbraw/zinc/16/23/53/1377162353.db2.gz LIUXUXWQFFOJDE-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CC2(CCC2)C1 ZINC001135614748 1377162957 /nfs/dbraw/zinc/16/29/57/1377162957.db2.gz ZNVNDIOMTBAQRJ-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1)[NH+](C)C ZINC001266110733 1377189863 /nfs/dbraw/zinc/18/98/63/1377189863.db2.gz NYTRCPDPCRFWDN-IRXDYDNUSA-N 2 0 325.541 3.076 20 0 EGADRP CCc1ccc(CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001135705997 1377190874 /nfs/dbraw/zinc/19/08/74/1377190874.db2.gz MOTCAGGQHXNBGD-ROUUACIJSA-N 2 0 347.547 3.006 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768954 1377206836 /nfs/dbraw/zinc/20/68/36/1377206836.db2.gz VFIYFJRTVPNDGY-QZTJIDSGSA-N 2 0 339.568 3.418 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001266195789 1377222550 /nfs/dbraw/zinc/22/25/50/1377222550.db2.gz ZUTNTQSBJNLOAY-FXAWDEMLSA-N 2 0 345.531 3.319 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135858486 1377236765 /nfs/dbraw/zinc/23/67/65/1377236765.db2.gz YPJLEEYXXLXMPV-JKSUJKDBSA-N 2 0 345.487 3.148 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135858452 1377236895 /nfs/dbraw/zinc/23/68/95/1377236895.db2.gz YHBUZYUIBMXPOC-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135860803 1377237897 /nfs/dbraw/zinc/23/78/97/1377237897.db2.gz HTIILQQYSMHHGH-OALUTQOASA-N 2 0 347.547 3.327 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135860901 1377237906 /nfs/dbraw/zinc/23/79/06/1377237906.db2.gz IWRSGCOORCUZAV-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135861383 1377238744 /nfs/dbraw/zinc/23/87/44/1377238744.db2.gz PZXZREJPKYRZNU-IAGOWNOFSA-N 2 0 345.531 3.279 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961437 1377277235 /nfs/dbraw/zinc/27/72/35/1377277235.db2.gz QKKHKDZHZCLAPZ-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961504 1377277438 /nfs/dbraw/zinc/27/74/38/1377277438.db2.gz RLBYQTHXZDDGRH-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135980659 1377286118 /nfs/dbraw/zinc/28/61/18/1377286118.db2.gz REXJHLHDDIZXLG-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001267090238 1377411706 /nfs/dbraw/zinc/41/17/06/1377411706.db2.gz HZCSTEZSCFPDKV-WOJBJXKFSA-N 2 0 345.531 3.244 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC001136660119 1377413905 /nfs/dbraw/zinc/41/39/05/1377413905.db2.gz CTXOAFJNRMUUJQ-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc2c(c1)COC2 ZINC001137028422 1377461311 /nfs/dbraw/zinc/46/13/11/1377461311.db2.gz LOADGVDTLNITHA-UHFFFAOYSA-N 2 0 347.547 3.202 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)CCC2CCCC2)CC1)[NH+](C)C ZINC001267604093 1377463823 /nfs/dbraw/zinc/46/38/23/1377463823.db2.gz JHTTUEZLRXKCBF-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP c1ccc2ncc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001137279313 1377509417 /nfs/dbraw/zinc/50/94/17/1377509417.db2.gz KBOXQYADWVITSS-OYRHEFFESA-N 2 0 344.462 3.194 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ncccc1O)CC2 ZINC001138390752 1377714476 /nfs/dbraw/zinc/71/44/76/1377714476.db2.gz HHDLRHUQTRYVNB-IBGZPJMESA-N 2 0 341.455 3.257 20 0 EGADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1OC(C)C ZINC001138574916 1377745495 /nfs/dbraw/zinc/74/54/95/1377745495.db2.gz OUZKQZCQSBWMFP-UHFFFAOYSA-N 2 0 332.488 3.400 20 0 EGADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC001138588666 1377749051 /nfs/dbraw/zinc/74/90/51/1377749051.db2.gz WLYFMBIFEUISBB-KDURUIRLSA-N 2 0 346.478 3.409 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCC(=O)c2cccs2)cc1 ZINC001138772034 1377782335 /nfs/dbraw/zinc/78/23/35/1377782335.db2.gz NCTCXBOYDQSPNM-UHFFFAOYSA-N 2 0 346.496 3.393 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[NH+]1CCCCCC1 ZINC001139362010 1377874231 /nfs/dbraw/zinc/87/42/31/1377874231.db2.gz SGNJWOQMFCJFLR-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccc(Cl)n1 ZINC001139552235 1377904862 /nfs/dbraw/zinc/90/48/62/1377904862.db2.gz RJGDJGYIPHDBQL-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP Fc1cc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)ccn1 ZINC001139834329 1377959087 /nfs/dbraw/zinc/95/90/87/1377959087.db2.gz BWWDJTGAYFNGHM-UHFFFAOYSA-N 2 0 325.431 3.319 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnc(Br)s2)CC1 ZINC001139913364 1377976729 /nfs/dbraw/zinc/97/67/29/1377976729.db2.gz IOSVLAXEXSRNBN-UHFFFAOYSA-N 2 0 346.338 3.458 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3ccncn3)C[C@H]21 ZINC001140343330 1378049854 /nfs/dbraw/zinc/04/98/54/1378049854.db2.gz DHTQUDNLSNXBIP-ATZDWAIDSA-N 2 0 342.512 3.271 20 0 EGADRP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1CCCC2 ZINC001275532952 1378141069 /nfs/dbraw/zinc/14/10/69/1378141069.db2.gz DYINIMZRTWAVND-SEJPIABJSA-N 2 0 341.543 3.212 20 0 EGADRP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275703794 1378151018 /nfs/dbraw/zinc/15/10/18/1378151018.db2.gz FTUMYLBIILFBGX-SFHVURJKSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2s1 ZINC001276314386 1378170518 /nfs/dbraw/zinc/17/05/18/1378170518.db2.gz FPKLDSJKTSTJMQ-CALCHBBNSA-N 2 0 329.513 3.112 20 0 EGADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc2ccccc2s1 ZINC001276315291 1378171109 /nfs/dbraw/zinc/17/11/09/1378171109.db2.gz ZRHDMVIZBKXVIX-ROUUACIJSA-N 2 0 329.513 3.112 20 0 EGADRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2sccc21 ZINC001276776980 1378187748 /nfs/dbraw/zinc/18/77/48/1378187748.db2.gz KBSAFFZDPRBXBH-CALCHBBNSA-N 2 0 329.513 3.112 20 0 EGADRP CC(C)Oc1ncc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276871985 1378190223 /nfs/dbraw/zinc/19/02/23/1378190223.db2.gz CDJVVISRBIPNJF-GASCZTMLSA-N 2 0 337.895 3.296 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001141207366 1378270155 /nfs/dbraw/zinc/27/01/55/1378270155.db2.gz YBYJJUUFHKZWEP-SJORKVTESA-N 2 0 325.431 3.271 20 0 EGADRP c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5n[nH]cc5c4)C[C@H]3CC2)c1 ZINC001278521282 1378277902 /nfs/dbraw/zinc/27/79/02/1378277902.db2.gz QCBCMZLPDGQNBI-HDICACEKSA-N 2 0 349.482 3.235 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141410887 1378320445 /nfs/dbraw/zinc/32/04/45/1378320445.db2.gz RRPOZEPDBYVHOD-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+](C)C2CCCC2)c1C ZINC001141573179 1378344813 /nfs/dbraw/zinc/34/48/13/1378344813.db2.gz OZNQRYXQVJPEMT-UHFFFAOYSA-N 2 0 348.535 3.078 20 0 EGADRP CC[N@H+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3OC)C[C@H]2C1 ZINC001141611877 1378350748 /nfs/dbraw/zinc/35/07/48/1378350748.db2.gz KYJLASPJPFEJAI-OKILXGFUSA-N 2 0 328.378 3.098 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001142623353 1378465851 /nfs/dbraw/zinc/46/58/51/1378465851.db2.gz ZKNZRGXNKWUWBG-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP c1csc(CN2C[C@@H]3C[N@@H+](Cc4cccc5n[nH]cc54)C[C@@H]3C2)c1 ZINC001143088885 1378536372 /nfs/dbraw/zinc/53/63/72/1378536372.db2.gz BVUYZNAGPKNJGO-IYBDPMFKSA-N 2 0 338.480 3.188 20 0 EGADRP CC[NH+]1CCC(N(C)Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143692110 1378635608 /nfs/dbraw/zinc/63/56/08/1378635608.db2.gz UXYPGYRGGDCQBK-UHFFFAOYSA-N 2 0 348.491 3.345 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001143831215 1378651124 /nfs/dbraw/zinc/65/11/24/1378651124.db2.gz BWFVMMKBWCSRME-PKOBYXMFSA-N 2 0 345.531 3.352 20 0 EGADRP COc1cc(Cl)cc(CN2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001144494800 1378737086 /nfs/dbraw/zinc/73/70/86/1378737086.db2.gz DZUHYPKNRNFIGZ-UHFFFAOYSA-N 2 0 331.847 3.374 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001146391687 1378833399 /nfs/dbraw/zinc/83/33/99/1378833399.db2.gz ITGJTBSQSSONEY-GOSISDBHSA-N 2 0 345.531 3.191 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398289 1378834317 /nfs/dbraw/zinc/83/43/17/1378834317.db2.gz NMCAPHSAUBXTLP-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583063 1378870953 /nfs/dbraw/zinc/87/09/53/1378870953.db2.gz IYHMQAHDKRFUBU-JKSUJKDBSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001146608761 1378876940 /nfs/dbraw/zinc/87/69/40/1378876940.db2.gz BACUCHQKYQILLK-IAGOWNOFSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001146614323 1378877665 /nfs/dbraw/zinc/87/76/65/1378877665.db2.gz XXXNIIWNNDWBST-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)CCCC[NH+]1CCCC1 ZINC001146700327 1378900917 /nfs/dbraw/zinc/90/09/17/1378900917.db2.gz FYEYBXVSKGCLNF-RBUKOAKNSA-N 2 0 345.531 3.326 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+]CCCC1CCCC1)c1ccccc1 ZINC001147410999 1379016451 /nfs/dbraw/zinc/01/64/51/1379016451.db2.gz XOOYWZHKPFGXLU-NRFANRHFSA-N 2 0 345.531 3.140 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC001147458640 1379024818 /nfs/dbraw/zinc/02/48/18/1379024818.db2.gz MDVHWPJFKXJIID-MJGOQNOKSA-N 2 0 333.520 3.067 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC001147456951 1379025309 /nfs/dbraw/zinc/02/53/09/1379025309.db2.gz AJWJCQKGHZEYQL-HXUWFJFHSA-N 2 0 343.515 3.276 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001283618811 1379057093 /nfs/dbraw/zinc/05/70/93/1379057093.db2.gz WNLSTPLJEDBNLP-AEFFLSMTSA-N 2 0 339.568 3.226 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284960 1379146096 /nfs/dbraw/zinc/14/60/96/1379146096.db2.gz LBHCSPGZUDMNBB-GDWUOILNSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C)cc1 ZINC001148360443 1379156504 /nfs/dbraw/zinc/15/65/04/1379156504.db2.gz VBTXKZZUASJCMB-QGZVFWFLSA-N 2 0 333.520 3.309 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001148418040 1379168498 /nfs/dbraw/zinc/16/84/98/1379168498.db2.gz ABZNCWNHRWILFY-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2 ZINC001148590955 1379219199 /nfs/dbraw/zinc/21/91/99/1379219199.db2.gz NIUFMLAOMZYHJA-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001148833567 1379278897 /nfs/dbraw/zinc/27/88/97/1379278897.db2.gz ALNPLSHLFYCIEI-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001148833568 1379279070 /nfs/dbraw/zinc/27/90/70/1379279070.db2.gz ALNPLSHLFYCIEI-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001284016979 1379365693 /nfs/dbraw/zinc/36/56/93/1379365693.db2.gz LIKCTENANKLYLD-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP Fc1cccc(-c2noc([C@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC001327865895 1388609494 /nfs/dbraw/zinc/60/94/94/1388609494.db2.gz VNAPMHJOOYYSAW-ZBFHGGJFSA-N 2 0 344.434 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)cc2C)[C@@H]1C ZINC001284155237 1379551448 /nfs/dbraw/zinc/55/14/48/1379551448.db2.gz UEGOZRVAENYJMJ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001151361465 1379704836 /nfs/dbraw/zinc/70/48/36/1379704836.db2.gz HNCYZWZUKOVVGK-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP CC[N@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386977 1379924839 /nfs/dbraw/zinc/92/48/39/1379924839.db2.gz VLDDYJMDCLAIQF-UYAOXDASSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001152432565 1379933671 /nfs/dbraw/zinc/93/36/71/1379933671.db2.gz LCNMOZYWVMYQAH-INIZCTEOSA-N 2 0 333.520 3.091 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC1CCC(C)CC1)[NH+]1CCCCC1 ZINC001152480598 1379940538 /nfs/dbraw/zinc/94/05/38/1379940538.db2.gz XRFHGWJDLVZZLV-ACBHZAAOSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001152485266 1379941230 /nfs/dbraw/zinc/94/12/30/1379941230.db2.gz YWCGSNQVGMDTHH-ICSRJNTNSA-N 2 0 345.531 3.272 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H](C[NH2+]CC2CCC2)C(C)(C)C)cc1 ZINC001284630507 1380034250 /nfs/dbraw/zinc/03/42/50/1380034250.db2.gz IJCIJABAPJHMIW-LJQANCHMSA-N 2 0 345.531 3.282 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153387968 1380068176 /nfs/dbraw/zinc/06/81/76/1380068176.db2.gz PMTCCPBGRFMSHE-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2sccc21 ZINC001153438754 1380076763 /nfs/dbraw/zinc/07/67/63/1380076763.db2.gz ATQDBKSLQCDYEY-UHFFFAOYSA-N 2 0 347.528 3.247 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCC2=CCCCC2)CC[N@@H+]1C ZINC001153501242 1380086049 /nfs/dbraw/zinc/08/60/49/1380086049.db2.gz HYCRYQSRFMUWJI-YZGWKJHDSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879280 1380148244 /nfs/dbraw/zinc/14/82/44/1380148244.db2.gz DFWGOHRHAVGHIN-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069420 1380198151 /nfs/dbraw/zinc/19/81/51/1380198151.db2.gz DDJYBTRGRKESNN-GZKZCVOOSA-N 2 0 325.541 3.290 20 0 EGADRP CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099378 1380207405 /nfs/dbraw/zinc/20/74/05/1380207405.db2.gz JEEQATIPJYSQDH-HMVFGEFZSA-N 2 0 343.943 3.219 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178774 1380221857 /nfs/dbraw/zinc/22/18/57/1380221857.db2.gz PXRRBVSSPAZPLF-OAHLLOKOSA-N 2 0 330.476 3.211 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CCC2CCCC2)C1 ZINC001284818539 1380244241 /nfs/dbraw/zinc/24/42/41/1380244241.db2.gz HPQUTXMLTZSKNV-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464542 1380282932 /nfs/dbraw/zinc/28/29/32/1380282932.db2.gz PBPPUJZYTAWQLN-GFOMBABLSA-N 2 0 337.552 3.434 20 0 EGADRP COc1cc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@H]3C)c2cc1OC ZINC001155024382 1380393057 /nfs/dbraw/zinc/39/30/57/1380393057.db2.gz HIYHCJOAOSIEDQ-HIFRSBDPSA-N 2 0 329.444 3.300 20 0 EGADRP COc1cc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@H]3C)c2cc1OC ZINC001155024384 1380393092 /nfs/dbraw/zinc/39/30/92/1380393092.db2.gz HIYHCJOAOSIEDQ-UKRRQHHQSA-N 2 0 329.444 3.300 20 0 EGADRP COc1cc2c[nH+]c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)cc2cc1OC ZINC001155034017 1380395575 /nfs/dbraw/zinc/39/55/75/1380395575.db2.gz VEWRVDIFWFHXGO-KBPBESRZSA-N 2 0 329.444 3.300 20 0 EGADRP COc1cc2c[nH+]c(NC[C@@H]3CCC[NH2+]C[C@H]3C)cc2cc1OC ZINC001155034018 1380395655 /nfs/dbraw/zinc/39/56/55/1380395655.db2.gz VEWRVDIFWFHXGO-KGLIPLIRSA-N 2 0 329.444 3.300 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085821 1380405998 /nfs/dbraw/zinc/40/59/98/1380405998.db2.gz UPOIAUZXIVPTMG-KZNAEPCWSA-N 2 0 327.557 3.081 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155225950 1380426489 /nfs/dbraw/zinc/42/64/89/1380426489.db2.gz DCQRJZOBAKQOPF-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249441 1380429030 /nfs/dbraw/zinc/42/90/30/1380429030.db2.gz LBFWZKHXWOLLGZ-GOSISDBHSA-N 2 0 347.547 3.277 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCc1ccccc1)[NH+](C)C ZINC001155289757 1380434009 /nfs/dbraw/zinc/43/40/09/1380434009.db2.gz XLXYSLKBNRKSQR-QUCCMNQESA-N 2 0 347.547 3.176 20 0 EGADRP Cn1c(CNc2cccc(N3CCC([NH3+])CC3)[nH+]2)cc2ccccc21 ZINC001156016978 1380513632 /nfs/dbraw/zinc/51/36/32/1380513632.db2.gz ZKCGMUNMNUHLCM-UHFFFAOYSA-N 2 0 335.455 3.113 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2cncc(Br)c2)C1 ZINC001328083707 1388665783 /nfs/dbraw/zinc/66/57/83/1388665783.db2.gz DYOXMQFUUSSXQB-OLZOCXBDSA-N 2 0 326.282 3.227 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299311 1380553848 /nfs/dbraw/zinc/55/38/48/1380553848.db2.gz SADXTFKNKSWPNZ-IPLHWJFFSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001156319617 1380557891 /nfs/dbraw/zinc/55/78/91/1380557891.db2.gz ZKNOEEYNUFAROO-QUCCMNQESA-N 2 0 345.531 3.472 20 0 EGADRP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001156319360 1380558021 /nfs/dbraw/zinc/55/80/21/1380558021.db2.gz SJABWTVHDSPSPL-XLIONFOSSA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001156319361 1380558142 /nfs/dbraw/zinc/55/81/42/1380558142.db2.gz SJABWTVHDSPSPL-YLJYHZDGSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341583 1380561488 /nfs/dbraw/zinc/56/14/88/1380561488.db2.gz JTODCYGRTATQNH-UTKZUKDTSA-N 2 0 345.531 3.090 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374175 1380566901 /nfs/dbraw/zinc/56/69/01/1380566901.db2.gz LTGDLOMAAMMQEO-IEBWSBKVSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475399 1380581105 /nfs/dbraw/zinc/58/11/05/1380581105.db2.gz CXTSYOCGAWJNKH-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP Cc1nc2cc(CNc3cccc(N4CCC([NH3+])CC4)[nH+]3)ccc2o1 ZINC001156935315 1380733057 /nfs/dbraw/zinc/73/30/57/1380733057.db2.gz AVOKZKLWSXCFCL-UHFFFAOYSA-N 2 0 337.427 3.071 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1nc(-c2ccsc2)nc2ccccc21 ZINC001157099238 1380775046 /nfs/dbraw/zinc/77/50/46/1380775046.db2.gz MCVFSWUPARQVRN-UHFFFAOYSA-N 2 0 340.456 3.033 20 0 EGADRP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098620 1380775135 /nfs/dbraw/zinc/77/51/35/1380775135.db2.gz OPGCLJPEKQWCRE-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109688 1380777920 /nfs/dbraw/zinc/77/79/20/1380777920.db2.gz RASZYGIVHNBKAI-COQIJWMOSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157119304 1380780763 /nfs/dbraw/zinc/78/07/63/1380780763.db2.gz UGEYABTUNMMVHY-WMXNSBIJSA-N 2 0 343.943 3.076 20 0 EGADRP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001158065658 1381117688 /nfs/dbraw/zinc/11/76/88/1381117688.db2.gz LVMHBFSCNWRFCR-VQTJNVASSA-N 2 0 349.563 3.243 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082742 1381123745 /nfs/dbraw/zinc/12/37/45/1381123745.db2.gz JYXDZKUREQZRKD-RBUKOAKNSA-N 2 0 337.552 3.364 20 0 EGADRP C[C@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186789 1381152537 /nfs/dbraw/zinc/15/25/37/1381152537.db2.gz YACWZABQJPSCLH-DOTOQJQBSA-N 2 0 346.450 3.009 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cc1C ZINC001328266104 1388704331 /nfs/dbraw/zinc/70/43/31/1388704331.db2.gz GVDAZHLXPGXXKB-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(C)C)C1 ZINC001158398345 1381230551 /nfs/dbraw/zinc/23/05/51/1381230551.db2.gz UYHNFYANUQZYNQ-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158418835 1381239622 /nfs/dbraw/zinc/23/96/22/1381239622.db2.gz ASIFGDGKEMVSIV-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C)[NH+](CC)CC ZINC001158491048 1381266301 /nfs/dbraw/zinc/26/63/01/1381266301.db2.gz GDVVJKYYOPOKQI-QZTJIDSGSA-N 2 0 325.541 3.076 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158472514 1381255437 /nfs/dbraw/zinc/25/54/37/1381255437.db2.gz ANMGIKJNYJUQRQ-RBUKOAKNSA-N 2 0 337.552 3.364 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)C/C=C/Cl)CC(C)(C)C ZINC001158480985 1381260630 /nfs/dbraw/zinc/26/06/30/1381260630.db2.gz USOKSISCOIOELS-XAVKZTDYSA-N 2 0 343.943 3.030 20 0 EGADRP C[NH+]1CCC(N(c2nc(Cl)ccc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158575776 1381306209 /nfs/dbraw/zinc/30/62/09/1381306209.db2.gz VIRIPCFDQACJLJ-UHFFFAOYSA-N 2 0 343.302 3.041 20 0 EGADRP CCc1cc2c(ccnc2N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)o1 ZINC001158590664 1381311106 /nfs/dbraw/zinc/31/11/06/1381311106.db2.gz GYKDPRINIATZHC-UHFFFAOYSA-N 2 0 342.487 3.043 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158922914 1381465293 /nfs/dbraw/zinc/46/52/93/1381465293.db2.gz MTRVGQAQBQTMNG-QGZVFWFLSA-N 2 0 325.541 3.076 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC3(C2)CCC[NH2+]C3)nc1 ZINC001159025222 1381517535 /nfs/dbraw/zinc/51/75/35/1381517535.db2.gz OBRCLQAHYMAJBE-GOSISDBHSA-N 2 0 328.504 3.208 20 0 EGADRP c1ccc2c(c1)C[NH2+]C21CCN(c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001159030859 1381522907 /nfs/dbraw/zinc/52/29/07/1381522907.db2.gz DZZNRXNNLQEQIT-UHFFFAOYSA-N 2 0 348.494 3.276 20 0 EGADRP [NH3+][C@@H]1CCc2nc(N=C3CC[NH+](Cc4ccccc4)CC3)sc2C1 ZINC001159134928 1381639744 /nfs/dbraw/zinc/63/97/44/1381639744.db2.gz NAYAPXLHZACEOW-OAHLLOKOSA-N 2 0 340.496 3.161 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001159335210 1381768132 /nfs/dbraw/zinc/76/81/32/1381768132.db2.gz VJKJRWUAJHHRSG-HXUWFJFHSA-N 2 0 345.531 3.109 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1 ZINC001159339337 1381769828 /nfs/dbraw/zinc/76/98/28/1381769828.db2.gz ACPZJYABFIJDQL-LJQANCHMSA-N 2 0 340.471 3.312 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001159355370 1381774789 /nfs/dbraw/zinc/77/47/89/1381774789.db2.gz DNEHIIYPYMNKDR-PKOBYXMFSA-N 2 0 331.504 3.026 20 0 EGADRP COc1cccc(CC[NH+]2CCCC2)c1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159508718 1381811300 /nfs/dbraw/zinc/81/13/00/1381811300.db2.gz TZYJGCBKDLVXQR-SJORKVTESA-N 2 0 327.472 3.154 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)cc1 ZINC001159539587 1381822943 /nfs/dbraw/zinc/82/29/43/1381822943.db2.gz PUSCGIVLJRHPMH-UHFFFAOYSA-N 2 0 328.435 3.173 20 0 EGADRP [NH3+]CCN(c1cc(N2CCCC2)cc[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC001159546466 1381824525 /nfs/dbraw/zinc/82/45/25/1381824525.db2.gz WBXIIFBDZXEFQT-UHFFFAOYSA-N 2 0 340.515 3.416 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001159628447 1381852822 /nfs/dbraw/zinc/85/28/22/1381852822.db2.gz JGJMNYILQIWRFZ-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]C1(c2ccc(Nc3ccc(CN4CC[NH2+]CC4)cc3)cc2)CCC1 ZINC001159730747 1381883404 /nfs/dbraw/zinc/88/34/04/1381883404.db2.gz QMVKEKIBJUUKTK-UHFFFAOYSA-N 2 0 336.483 3.173 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001159784587 1381899046 /nfs/dbraw/zinc/89/90/46/1381899046.db2.gz JOVLZCGNHYHVBW-JTQLQIEISA-N 2 0 334.638 3.026 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001159789801 1381901302 /nfs/dbraw/zinc/90/13/02/1381901302.db2.gz XKJZBMTYJXIDSQ-LJQANCHMSA-N 2 0 349.438 3.372 20 0 EGADRP Cc1cc(N)[nH+]cc1Nc1ccc(OCC2CC[NH2+]CC2)c(F)c1 ZINC001159881410 1381927178 /nfs/dbraw/zinc/92/71/78/1381927178.db2.gz VEYODNJZTDZMGD-UHFFFAOYSA-N 2 0 330.407 3.233 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001159909210 1381934051 /nfs/dbraw/zinc/93/40/51/1381934051.db2.gz LEVWCOMVTWVVON-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001159916722 1381936167 /nfs/dbraw/zinc/93/61/67/1381936167.db2.gz RFCBCUPOGBONHU-PXNSSMCTSA-N 2 0 343.515 3.251 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1F ZINC001159920944 1381937426 /nfs/dbraw/zinc/93/74/26/1381937426.db2.gz WAWXVKOVJBTKBZ-KRWDZBQOSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+](C)CCCn1cc(Nc2ccc(CC3CC[NH2+]CC3)cc2)cn1 ZINC001160015043 1381969240 /nfs/dbraw/zinc/96/92/40/1381969240.db2.gz SIEUOILQULFDRS-UHFFFAOYSA-N 2 0 341.503 3.121 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(Nc2nccnc2C[NH3+])nc1 ZINC001160249673 1382049306 /nfs/dbraw/zinc/04/93/06/1382049306.db2.gz BVRQWEPQDAEZAJ-MRXNPFEDSA-N 2 0 326.448 3.011 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001160274453 1382058297 /nfs/dbraw/zinc/05/82/97/1382058297.db2.gz SMFBSNULEVFCNA-RBUKOAKNSA-N 2 0 331.504 3.108 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160286525 1382062545 /nfs/dbraw/zinc/06/25/45/1382062545.db2.gz TYITVUKWFYZKRS-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353326 1382081431 /nfs/dbraw/zinc/08/14/31/1382081431.db2.gz RWUZBSURZNQGLH-FQEVSTJZSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360288 1382082307 /nfs/dbraw/zinc/08/23/07/1382082307.db2.gz NJDHEDTWKIKOPA-AZUAARDMSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)C1 ZINC001160369232 1382086074 /nfs/dbraw/zinc/08/60/74/1382086074.db2.gz VKSSBZJCKUFFKM-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400442 1382094607 /nfs/dbraw/zinc/09/46/07/1382094607.db2.gz QTGBRSKBPWEKRX-BBIZLLLXSA-N 2 0 347.547 3.356 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1)[NH+](C)C ZINC001160406100 1382095630 /nfs/dbraw/zinc/09/56/30/1382095630.db2.gz JVJBPKGVJDKAMG-FQEVSTJZSA-N 2 0 347.547 3.211 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC001292112354 1382170489 /nfs/dbraw/zinc/17/04/89/1382170489.db2.gz JDAYQFWNKUTFDP-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)CCCC1 ZINC001160804377 1382201758 /nfs/dbraw/zinc/20/17/58/1382201758.db2.gz JCYKALFYWSVLES-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)C1 ZINC001292812129 1382215873 /nfs/dbraw/zinc/21/58/73/1382215873.db2.gz WEDZFDQBCWBGQU-FQEVSTJZSA-N 2 0 345.531 3.007 20 0 EGADRP [NH3+]CCc1cn(-c2cc(-c3ccc(F)cc3)ncn2)c2cc[nH+]cc12 ZINC001160951883 1382249379 /nfs/dbraw/zinc/24/93/79/1382249379.db2.gz NHVXEFFCHALVTO-UHFFFAOYSA-N 2 0 333.370 3.123 20 0 EGADRP CC(C)C[C@@](C)([NH3+])C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160957863 1382251202 /nfs/dbraw/zinc/25/12/02/1382251202.db2.gz VGQZHOASNAHFRW-HFSMHLIXSA-N 2 0 345.531 3.119 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2c(C[NH3+])cc3ccncc32)nc1 ZINC001160963037 1382252841 /nfs/dbraw/zinc/25/28/41/1382252841.db2.gz RIDCDHGZVWOVGA-SFHVURJKSA-N 2 0 335.455 3.426 20 0 EGADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NC/C=C/C[NH3+])n1 ZINC001160982090 1382260740 /nfs/dbraw/zinc/26/07/40/1382260740.db2.gz CUDIQACBCARXOU-BQYQJAHWSA-N 2 0 333.505 3.077 20 0 EGADRP CN(C(=O)C[C@@H]([NH3+])c1cccc(Cl)c1Cl)[C@H]1CCCC[C@H]1[NH3+] ZINC001161061615 1382286438 /nfs/dbraw/zinc/28/64/38/1382286438.db2.gz HULGBSIAAODTSA-MCIONIFRSA-N 2 0 344.286 3.112 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N(C)C1(C)CC[NH2+]CC1)c1ccccc1 ZINC001161073677 1382291325 /nfs/dbraw/zinc/29/13/25/1382291325.db2.gz QOMUPGBUSLTBMR-LJQANCHMSA-N 2 0 345.531 3.450 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N(C)C1(C)CC[NH2+]CC1)c1ccccc1 ZINC001161073676 1382291576 /nfs/dbraw/zinc/29/15/76/1382291576.db2.gz QOMUPGBUSLTBMR-IBGZPJMESA-N 2 0 345.531 3.450 20 0 EGADRP Clc1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c2c(n1)C[NH2+]CC2 ZINC001161187719 1382333755 /nfs/dbraw/zinc/33/37/55/1382333755.db2.gz VAUBBYCFLUOBQY-AWEZNQCLSA-N 2 0 334.895 3.057 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001161238910 1382351303 /nfs/dbraw/zinc/35/13/03/1382351303.db2.gz DSKBJNVMGMRNPE-IBGZPJMESA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001161383201 1382391586 /nfs/dbraw/zinc/39/15/86/1382391586.db2.gz MABGRVYZUNVIOP-GOSISDBHSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161471587 1382417585 /nfs/dbraw/zinc/41/75/85/1382417585.db2.gz CVBNCOZXDHQMPT-UHFFFAOYSA-N 2 0 343.515 3.300 20 0 EGADRP CC(C)CCC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161518902 1382429946 /nfs/dbraw/zinc/42/99/46/1382429946.db2.gz SLGHPJMJDLHLRQ-UHFFFAOYSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622318 1382462470 /nfs/dbraw/zinc/46/24/70/1382462470.db2.gz LRQGZMUBRKVEBE-SFHVURJKSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)(C)CN(c1cc(-n2ccnc2)cc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161681061 1382478922 /nfs/dbraw/zinc/47/89/22/1382478922.db2.gz WBILLIQGWLSHTC-WKILWMFISA-N 2 0 327.476 3.390 20 0 EGADRP CC(C)[N@H+]1CC=C(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688063 1382481110 /nfs/dbraw/zinc/48/11/10/1382481110.db2.gz FQBPVELBEIGBAK-NRFANRHFSA-N 2 0 343.515 3.010 20 0 EGADRP CC(C)Cn1cnc(CNc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC001161799507 1382509779 /nfs/dbraw/zinc/50/97/79/1382509779.db2.gz JPXBHIPXJROJJN-UHFFFAOYSA-N 2 0 343.475 3.019 20 0 EGADRP Cc1cnc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c(C[NH3+])c1 ZINC001161828588 1382522840 /nfs/dbraw/zinc/52/28/40/1382522840.db2.gz YDXSFDUEBNFSDC-GOSISDBHSA-N 2 0 328.435 3.141 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925019 1382556295 /nfs/dbraw/zinc/55/62/95/1382556295.db2.gz UFUNUMRUJYGELU-QZTJIDSGSA-N 2 0 335.536 3.188 20 0 EGADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@H]2C[C@@](C)([NH3+])C2)n1 ZINC001162329069 1382730580 /nfs/dbraw/zinc/73/05/80/1382730580.db2.gz ZCZUWJQBQMMGKY-QGGXVJLZSA-N 2 0 347.532 3.442 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](Nc2nccc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001162392536 1382746134 /nfs/dbraw/zinc/74/61/34/1382746134.db2.gz GRNLDBZGAQJWIB-RTBURBONSA-N 2 0 336.483 3.322 20 0 EGADRP CCCC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@H+](C)CC ZINC001162847743 1382893446 /nfs/dbraw/zinc/89/34/46/1382893446.db2.gz ARQGRTIZTULFPV-UHFFFAOYSA-N 2 0 347.547 3.178 20 0 EGADRP [NH3+][C@@H]1Cc2ccccc2N(c2ccc(F)c(C[NH+]3CCCC3)c2)C1 ZINC001162853936 1382896150 /nfs/dbraw/zinc/89/61/50/1382896150.db2.gz PLYIIXVQDGGWHW-QGZVFWFLSA-N 2 0 325.431 3.443 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001162987932 1382939290 /nfs/dbraw/zinc/93/92/90/1382939290.db2.gz NEHAOGRHFSMEOZ-JKSUJKDBSA-N 2 0 338.293 3.207 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N[C@@H]3CCCc4ccncc43)c2)CC1 ZINC001163173985 1382984159 /nfs/dbraw/zinc/98/41/59/1382984159.db2.gz UNMSFWLBMRNCEO-LJQANCHMSA-N 2 0 338.455 3.439 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163243442 1383003109 /nfs/dbraw/zinc/00/31/09/1383003109.db2.gz ZNFXFANCKVNYBO-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001163249360 1383005044 /nfs/dbraw/zinc/00/50/44/1383005044.db2.gz XVZRRVDCIDOBMW-UHFFFAOYSA-N 2 0 347.547 3.327 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H](C)C1 ZINC001163371654 1383035877 /nfs/dbraw/zinc/03/58/77/1383035877.db2.gz RWRWPKSRQTUPOB-LPHOPBHVSA-N 3 0 346.519 3.085 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(N[C@H]3C[NH+]4CCC3CC4)c(C)c2)CC1 ZINC001163385888 1383038633 /nfs/dbraw/zinc/03/86/33/1383038633.db2.gz JSBATQGRXAWGEX-IBGZPJMESA-N 2 0 326.488 3.005 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@H]1C[N@H+](C)CCCC1CCCC1)C1CCC1 ZINC001328733915 1388832023 /nfs/dbraw/zinc/83/20/23/1388832023.db2.gz SFFNAPLJVDXBAK-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC(C[NH2+]CC2(CCNC(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001164536583 1383197296 /nfs/dbraw/zinc/19/72/96/1383197296.db2.gz MYBWWRWHUYMNJK-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(C)c(C[NH2+]C)c2C)nc1 ZINC001165153935 1383238229 /nfs/dbraw/zinc/23/82/29/1383238229.db2.gz PBDVPTBTCAQQAW-GOSISDBHSA-N 2 0 327.476 3.150 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)CCC1 ZINC001165464349 1383298714 /nfs/dbraw/zinc/29/87/14/1383298714.db2.gz BMWHNHSDVROOLF-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2C)CC1)[NH+](C)C ZINC001165717938 1383331438 /nfs/dbraw/zinc/33/14/38/1383331438.db2.gz ARRLJSKSHQPEFF-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001165718771 1383331737 /nfs/dbraw/zinc/33/17/37/1383331737.db2.gz RBEZLKHEKBSLQH-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728769 1383334033 /nfs/dbraw/zinc/33/40/33/1383334033.db2.gz UCTRWNJGJCJQHH-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189409 1383400077 /nfs/dbraw/zinc/40/00/77/1383400077.db2.gz HZHNKIGVQBRKRE-UHFFFAOYSA-N 2 0 342.487 3.404 20 0 EGADRP Cc1ccccc1CCC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166750258 1383471516 /nfs/dbraw/zinc/47/15/16/1383471516.db2.gz AEVMZIAHNGSYRI-UHFFFAOYSA-N 2 0 347.547 3.001 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166864101 1383489460 /nfs/dbraw/zinc/48/94/60/1383489460.db2.gz YYJHIGLQXYPEGQ-WAYWQWQTSA-N 2 0 347.503 3.187 20 0 EGADRP COc1cc2c[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)cc2cc1OC ZINC001166900017 1383496193 /nfs/dbraw/zinc/49/61/93/1383496193.db2.gz HXERIXZXGLCGSE-QGZVFWFLSA-N 2 0 341.455 3.220 20 0 EGADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC001166979179 1383508905 /nfs/dbraw/zinc/50/89/05/1383508905.db2.gz NMMGKAXGAYKBCC-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001167232547 1383570801 /nfs/dbraw/zinc/57/08/01/1383570801.db2.gz GXWHZUJCXUVGQP-QGZVFWFLSA-N 2 0 337.552 3.031 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)CC1 ZINC001167522793 1383658254 /nfs/dbraw/zinc/65/82/54/1383658254.db2.gz FXTWCLMQUGQWTA-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001167610555 1383688899 /nfs/dbraw/zinc/68/88/99/1383688899.db2.gz SZXVTEQCSBIBDJ-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167610726 1383689036 /nfs/dbraw/zinc/68/90/36/1383689036.db2.gz WQBIQQNVMDVHOU-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001167626930 1383692703 /nfs/dbraw/zinc/69/27/03/1383692703.db2.gz HUHBJEPFDMFFMU-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001167634194 1383693776 /nfs/dbraw/zinc/69/37/76/1383693776.db2.gz GKHIDZBRNHLCKH-APWZRJJASA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001167634207 1383694301 /nfs/dbraw/zinc/69/43/01/1383694301.db2.gz GKHIDZBRNHLCKH-VQIMIIECSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001167634286 1383694405 /nfs/dbraw/zinc/69/44/05/1383694405.db2.gz HMBDCIFZZLKELW-HKUYNNGSSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001167636348 1383694767 /nfs/dbraw/zinc/69/47/67/1383694767.db2.gz SRHZOERXWAAZDT-QFBILLFUSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccnc2[nH]cc(C[NH+](C)C)c21 ZINC001167753137 1383730241 /nfs/dbraw/zinc/73/02/41/1383730241.db2.gz LGBVFDFIUSGNRF-HNNXBMFYSA-N 2 0 329.492 3.301 20 0 EGADRP Cc1ccc(C[NH2+]CC2(CCNC(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001167784079 1383739868 /nfs/dbraw/zinc/73/98/68/1383739868.db2.gz LOYFDJDJLPERNX-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167783930 1383739898 /nfs/dbraw/zinc/73/98/98/1383739898.db2.gz JYIURYZGOWNRCW-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001167823298 1383749638 /nfs/dbraw/zinc/74/96/38/1383749638.db2.gz KHKMXADYVIFNCV-OXJNMPFZSA-N 2 0 329.488 3.093 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC001167825821 1383750242 /nfs/dbraw/zinc/75/02/42/1383750242.db2.gz KVFPBTVGKRVZEO-IBGZPJMESA-N 2 0 347.547 3.323 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001167825975 1383750344 /nfs/dbraw/zinc/75/03/44/1383750344.db2.gz LXQJQXSOTNAPGO-GIVPXCGWSA-N 2 0 329.532 3.456 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001167835655 1383754180 /nfs/dbraw/zinc/75/41/80/1383754180.db2.gz KKOGZOVVVXCPBL-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC001167835681 1383754224 /nfs/dbraw/zinc/75/42/24/1383754224.db2.gz SODPDRNRIVIOPV-QGZVFWFLSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001167835891 1383754261 /nfs/dbraw/zinc/75/42/61/1383754261.db2.gz VLXOVGFUWIGQLK-QGZVFWFLSA-N 2 0 325.541 3.076 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001167841717 1383756832 /nfs/dbraw/zinc/75/68/32/1383756832.db2.gz PMWQVHGJDHCNIB-IBGZPJMESA-N 2 0 345.531 3.263 20 0 EGADRP CN(C)c1ccc2c(c1)Cc1cc(NC(=[NH2+])SCC[NH3+])ccc1-2 ZINC001167911882 1383768539 /nfs/dbraw/zinc/76/85/39/1383768539.db2.gz GHZYXYRSHCRYNR-UHFFFAOYSA-N 2 0 326.469 3.362 20 0 EGADRP COc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963837 1383780041 /nfs/dbraw/zinc/78/00/41/1383780041.db2.gz FXEKRWQQXDRLEC-AYHJJNSGSA-N 2 0 330.472 3.069 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964056 1383780261 /nfs/dbraw/zinc/78/02/61/1383780261.db2.gz MGNYKZJHPHOLJE-BPIHKTFHSA-N 2 0 344.499 3.458 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167963772 1383780327 /nfs/dbraw/zinc/78/03/27/1383780327.db2.gz DAOMDAPKHWXRAG-SEJPIABJSA-N 3 0 327.516 3.243 20 0 EGADRP c1cc(C2OCCO2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973073 1383782711 /nfs/dbraw/zinc/78/27/11/1383782711.db2.gz FOEVEJDHHAPDQV-IHWFROFDSA-N 2 0 342.483 3.227 20 0 EGADRP CCOC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167972721 1383782780 /nfs/dbraw/zinc/78/27/80/1383782780.db2.gz AJEVQFFZWNUWJK-IHWFROFDSA-N 2 0 342.483 3.358 20 0 EGADRP C[C@@H]1CC([NH2+]CCC(=O)N2CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011057 1383796112 /nfs/dbraw/zinc/79/61/12/1383796112.db2.gz MHBDQYLDLOXMEG-QZTJIDSGSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC([NH2+]CCN2CCCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009285 1383796135 /nfs/dbraw/zinc/79/61/35/1383796135.db2.gz ZTJCVNVGBHJWAA-QZTJIDSGSA-N 2 0 331.504 3.045 20 0 EGADRP C[C@@H]1CC(N(CC[NH3+])c2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017414 1383797743 /nfs/dbraw/zinc/79/77/43/1383797743.db2.gz AIDHYNZDNIQIOA-QZTJIDSGSA-N 2 0 338.499 3.288 20 0 EGADRP CC[N@@H+]1CCCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168039366 1383801796 /nfs/dbraw/zinc/80/17/96/1383801796.db2.gz DOLJOPRWWRCGCK-RTBURBONSA-N 2 0 329.532 3.456 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168169568 1383832409 /nfs/dbraw/zinc/83/24/09/1383832409.db2.gz FFZSLINQDROWJE-KRWDZBQOSA-N 2 0 337.939 3.230 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001168298542 1383866524 /nfs/dbraw/zinc/86/65/24/1383866524.db2.gz ZZYMNAJKELVDRI-ZUEPYMLJSA-N 2 0 331.287 3.489 20 0 EGADRP CC1(C)CC(C[NH2+]CC2(CCNC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001168302470 1383867135 /nfs/dbraw/zinc/86/71/35/1383867135.db2.gz SWUZCWCUUMWOLQ-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1Br ZINC001168312412 1383870917 /nfs/dbraw/zinc/87/09/17/1383870917.db2.gz VLALIZMLXUXVMK-UHFFFAOYSA-N 2 0 341.293 3.420 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001168324624 1383873036 /nfs/dbraw/zinc/87/30/36/1383873036.db2.gz RUBKXOSPDHGYCK-UHFFFAOYSA-N 2 0 327.394 3.331 20 0 EGADRP CN(C[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1)C(=O)OC(C)(C)C ZINC001168326689 1383873279 /nfs/dbraw/zinc/87/32/79/1383873279.db2.gz DKTMWLVPUPGUPO-GTPINHCMSA-N 2 0 339.524 3.048 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)CCCCNC(=O)OC(C)(C)C)CC1 ZINC001168328772 1383874009 /nfs/dbraw/zinc/87/40/09/1383874009.db2.gz KENUAWLXYIRAMQ-UHFFFAOYSA-N 2 0 327.513 3.096 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001168328297 1383874392 /nfs/dbraw/zinc/87/43/92/1383874392.db2.gz DLMHETCLEXKQPD-UHFFFAOYSA-N 2 0 341.543 3.457 20 0 EGADRP Clc1cccnc1N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168357522 1383882751 /nfs/dbraw/zinc/88/27/51/1383882751.db2.gz FPOKVYXCNJGXEC-UHFFFAOYSA-N 2 0 348.922 3.168 20 0 EGADRP COc1cccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)c1 ZINC001168366271 1383884832 /nfs/dbraw/zinc/88/48/32/1383884832.db2.gz MVVAEKFLTVAPIJ-UHFFFAOYSA-N 2 0 344.499 3.165 20 0 EGADRP COC1(c2ccccc2)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387599 1383891925 /nfs/dbraw/zinc/89/19/25/1383891925.db2.gz MADDSPANJVLSTG-UHFFFAOYSA-N 2 0 328.500 3.499 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442948 1383906830 /nfs/dbraw/zinc/90/68/30/1383906830.db2.gz XYFUGHQPGRTJJT-LEWJYISDSA-N 2 0 346.490 3.258 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CCC2CCCC2)cc1 ZINC001168442401 1383907004 /nfs/dbraw/zinc/90/70/04/1383907004.db2.gz QKRCUXKFKVUEHI-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001168475025 1383916729 /nfs/dbraw/zinc/91/67/29/1383916729.db2.gz VKEUDCHZPXLPFW-INIZCTEOSA-N 2 0 327.447 3.188 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001168594801 1383944472 /nfs/dbraw/zinc/94/44/72/1383944472.db2.gz AGBGVCJEJGVRBK-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]C3CCC([NH+](C)C)CC3)CCO2)cc1 ZINC001168600990 1383945700 /nfs/dbraw/zinc/94/57/00/1383945700.db2.gz NHYCSIYXGJOKOW-NIAPBTPMSA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+]CCC[NH+]3CCCCC3)CCO2)cc1 ZINC001168602113 1383946112 /nfs/dbraw/zinc/94/61/12/1383946112.db2.gz RFIBWVBPMPSWAC-AZUAARDMSA-N 2 0 332.488 3.381 20 0 EGADRP Clc1cccc2c1C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001168703858 1383974931 /nfs/dbraw/zinc/97/49/31/1383974931.db2.gz JEMAXMTZCLWPRT-INIZCTEOSA-N 2 0 327.859 3.461 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168734477 1383984820 /nfs/dbraw/zinc/98/48/20/1383984820.db2.gz HKCJONANAGUBPR-QGZVFWFLSA-N 2 0 337.939 3.013 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)cc[nH+]1 ZINC001168741838 1383988055 /nfs/dbraw/zinc/98/80/55/1383988055.db2.gz BDJQIIVDBIWHJA-KRWDZBQOSA-N 2 0 327.859 3.333 20 0 EGADRP COC(=O)C1(C)CCC([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001168761358 1383994987 /nfs/dbraw/zinc/99/49/87/1383994987.db2.gz BEXXVXJZADVKFD-UHFFFAOYSA-N 2 0 338.536 3.456 20 0 EGADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001307487762 1383997041 /nfs/dbraw/zinc/99/70/41/1383997041.db2.gz CDYFCCPNPNFPQR-OAQYLSRUSA-N 3 0 329.532 3.446 20 0 EGADRP COC(=O)C1(C)CCC([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001168788459 1384005552 /nfs/dbraw/zinc/00/55/52/1384005552.db2.gz WWLHTBWMMFXHFE-UHFFFAOYSA-N 2 0 336.520 3.162 20 0 EGADRP [NH3+]CCN(c1cccnc1)c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001168836593 1384027425 /nfs/dbraw/zinc/02/74/25/1384027425.db2.gz PCOGDQAXGJCPJM-UHFFFAOYSA-N 2 0 349.482 3.298 20 0 EGADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1CO ZINC001307951546 1384061938 /nfs/dbraw/zinc/06/19/38/1384061938.db2.gz KMEQGTRAXTZEPE-KNQAVFIVSA-N 2 0 344.543 3.282 20 0 EGADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001308089303 1384090757 /nfs/dbraw/zinc/09/07/57/1384090757.db2.gz LSOVAJBJKLGODS-VGSWGCGISA-N 2 0 347.462 3.479 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001169096218 1384106513 /nfs/dbraw/zinc/10/65/13/1384106513.db2.gz VUOXRKMYPLETEV-VQHPVUNQSA-N 2 0 335.289 3.131 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]CC2CCCCC2)CC1 ZINC001308204105 1384108771 /nfs/dbraw/zinc/10/87/71/1384108771.db2.gz ZBHBTRXKEUJGNY-UHFFFAOYSA-N 2 0 329.532 3.494 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001169127606 1384111231 /nfs/dbraw/zinc/11/12/31/1384111231.db2.gz REDUGSLMUFJIHN-LJQANCHMSA-N 2 0 349.494 3.105 20 0 EGADRP CC1(C)C[C@H](Nc2ncc(F)c(C3CC[NH2+]CC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001169142203 1384113152 /nfs/dbraw/zinc/11/31/52/1384113152.db2.gz LTOMWBLOKUNNMJ-IFXJQAMLSA-N 2 0 349.498 3.038 20 0 EGADRP Cc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc([C@H]2CCC[NH2+]C2)n1 ZINC001169145728 1384114463 /nfs/dbraw/zinc/11/44/63/1384114463.db2.gz TZRRXFKJPAVTQZ-YRNRMSPPSA-N 2 0 345.535 3.208 20 0 EGADRP COC(=O)c1cccc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169152709 1384115776 /nfs/dbraw/zinc/11/57/76/1384115776.db2.gz DMXXPRAKKJBCJV-ACDBMABISA-N 2 0 342.483 3.278 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001169153645 1384116435 /nfs/dbraw/zinc/11/64/35/1384116435.db2.gz KQGAQHSRWXDOHR-RTOMLYRKSA-N 2 0 339.527 3.066 20 0 EGADRP CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001308408872 1384124109 /nfs/dbraw/zinc/12/41/09/1384124109.db2.gz ZLQFAIXWZLBYAP-HOTGVXAUSA-N 2 0 335.923 3.474 20 0 EGADRP CCN1CCC([N@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241530 1384126531 /nfs/dbraw/zinc/12/65/31/1384126531.db2.gz OKKVWNRKWJFINV-WGSAOQKQSA-N 2 0 345.531 3.251 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169280598 1384131597 /nfs/dbraw/zinc/13/15/97/1384131597.db2.gz UCHUPDUVGRZANM-XBMUEBEBSA-N 2 0 330.472 3.229 20 0 EGADRP CCOc1ccc(Cl)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC001308632950 1384137855 /nfs/dbraw/zinc/13/78/55/1384137855.db2.gz NZJQORSNJWOBOA-UHFFFAOYSA-N 2 0 340.895 3.281 20 0 EGADRP CC(=O)N1CCC[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169595885 1384163585 /nfs/dbraw/zinc/16/35/85/1384163585.db2.gz IRNQNFJJXPQBDK-VAMGGRTRSA-N 2 0 335.536 3.150 20 0 EGADRP CCCC[NH+]1CCC(C[NH2+][C@H]2CCCN(C(=O)OCC)CC2)CC1 ZINC001169664022 1384170314 /nfs/dbraw/zinc/17/03/14/1384170314.db2.gz HZFINIALQMWJQA-SFHVURJKSA-N 2 0 339.524 3.099 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)CC(C)(C)CC[NH3+] ZINC001169749277 1384182318 /nfs/dbraw/zinc/18/23/18/1384182318.db2.gz VETVBDUUCHVSEX-PKOBYXMFSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001169811834 1384188021 /nfs/dbraw/zinc/18/80/21/1384188021.db2.gz YDTMMYRBYAQFNH-UYAOXDASSA-N 2 0 345.531 3.162 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169924554 1384199170 /nfs/dbraw/zinc/19/91/70/1384199170.db2.gz MWELSPYLKBISJX-UFYCRDLUSA-N 2 0 344.499 3.444 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)CCO1 ZINC001170193723 1384260735 /nfs/dbraw/zinc/26/07/35/1384260735.db2.gz SAIISNPWNUJUNY-JOHXPNBHSA-N 2 0 336.460 3.080 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2ccc(CN3CC[NH2+]CC3)cc2)CC1(C)C ZINC001170451779 1384322211 /nfs/dbraw/zinc/32/22/11/1384322211.db2.gz PMWPPGPCFOUBQT-UHFFFAOYSA-N 2 0 344.547 3.155 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CCc4cc(F)cc(F)c4C3)CC2)cc[nH+]1 ZINC001170714261 1384372518 /nfs/dbraw/zinc/37/25/18/1384372518.db2.gz CQLMLVFUQXPQIF-QGZVFWFLSA-N 2 0 343.421 3.348 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170749891 1384377624 /nfs/dbraw/zinc/37/76/24/1384377624.db2.gz DHDADQJLWYBZHE-ZWKOTPCHSA-N 2 0 325.541 3.170 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)C ZINC001170784847 1384384391 /nfs/dbraw/zinc/38/43/91/1384384391.db2.gz LPJBBOLGQKQVJE-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170820748 1384391719 /nfs/dbraw/zinc/39/17/19/1384391719.db2.gz VUCBLADZGDTWKF-NQIIRXRSSA-N 2 0 347.547 3.242 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC001170977683 1384422117 /nfs/dbraw/zinc/42/21/17/1384422117.db2.gz ZHDHXVHXNWVSFA-IBGZPJMESA-N 2 0 346.490 3.164 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171069310 1384440393 /nfs/dbraw/zinc/44/03/93/1384440393.db2.gz OUNAAVHQXIVGHM-FUHWJXTLSA-N 2 0 343.531 3.121 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171068049 1384440486 /nfs/dbraw/zinc/44/04/86/1384440486.db2.gz AJKSBUCYGQBNLF-SJORKVTESA-N 2 0 349.510 3.071 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248392 1384478257 /nfs/dbraw/zinc/47/82/57/1384478257.db2.gz UEJYIHRSDBCPKA-YLJYHZDGSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171280817 1384484518 /nfs/dbraw/zinc/48/45/18/1384484518.db2.gz DPOLKDCPGPGLTE-YOFSQIOKSA-N 2 0 343.515 3.096 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001171362707 1384502568 /nfs/dbraw/zinc/50/25/68/1384502568.db2.gz PYOCPSUWTGLCCM-UHFFFAOYSA-N 2 0 346.519 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001171368915 1384504104 /nfs/dbraw/zinc/50/41/04/1384504104.db2.gz UASMDZLHJALBPK-IRXDYDNUSA-N 2 0 327.557 3.273 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)CC2)cc[nH+]1 ZINC001171496543 1384541875 /nfs/dbraw/zinc/54/18/75/1384541875.db2.gz DELRIESNKJYROQ-KRWDZBQOSA-N 2 0 343.421 3.348 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171506315 1384544962 /nfs/dbraw/zinc/54/49/62/1384544962.db2.gz UNOXMECATYZNAP-CQSZACIVSA-N 2 0 326.406 3.425 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508999 1384545706 /nfs/dbraw/zinc/54/57/06/1384545706.db2.gz KZALOXKWYCJGRK-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171526334 1384550999 /nfs/dbraw/zinc/55/09/99/1384550999.db2.gz VNMOCJWHXRCMIZ-MELADBBJSA-N 2 0 326.406 3.424 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571413 1384567006 /nfs/dbraw/zinc/56/70/06/1384567006.db2.gz XRKCNVDHKDRYNH-NHCUHLMSSA-N 2 0 342.527 3.428 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001171579289 1384570467 /nfs/dbraw/zinc/57/04/67/1384570467.db2.gz SOGAEBDYUXVTTD-LJQANCHMSA-N 2 0 349.494 3.031 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCCN(c3ccccn3)C2)CC1(C)C ZINC001171626754 1384584468 /nfs/dbraw/zinc/58/44/68/1384584468.db2.gz AIVJOKBSZUAKMY-INIZCTEOSA-N 2 0 330.520 3.291 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC1(C)C ZINC001171628556 1384585079 /nfs/dbraw/zinc/58/50/79/1384585079.db2.gz ASWVZGPBHHSJPS-UHFFFAOYSA-N 2 0 348.510 3.384 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001171630195 1384586481 /nfs/dbraw/zinc/58/64/81/1384586481.db2.gz XSLBKKDPODITMQ-HNNXBMFYSA-N 2 0 330.476 3.177 20 0 EGADRP CC(C)C(=O)N1CCC[C@]12CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637442 1384588346 /nfs/dbraw/zinc/58/83/46/1384588346.db2.gz NSCSFEOUULEWNU-OAQYLSRUSA-N 2 0 349.563 3.361 20 0 EGADRP CCC(=O)N(CC)C1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171640366 1384589838 /nfs/dbraw/zinc/58/98/38/1384589838.db2.gz FFCNTMOZVVSSTI-UHFFFAOYSA-N 2 0 337.552 3.361 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001171731336 1384616984 /nfs/dbraw/zinc/61/69/84/1384616984.db2.gz CODLSENFGZLUMT-UHFFFAOYSA-N 2 0 341.499 3.168 20 0 EGADRP C[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171759408 1384627644 /nfs/dbraw/zinc/62/76/44/1384627644.db2.gz JIXOWKZWUNZRLK-NRSPTQNISA-N 2 0 327.516 3.210 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001329025004 1388934221 /nfs/dbraw/zinc/93/42/21/1388934221.db2.gz SKDRZXGPPDNLOR-CYBMUJFWSA-N 2 0 327.875 3.031 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001171765269 1384629680 /nfs/dbraw/zinc/62/96/80/1384629680.db2.gz XNGZNAPDCLUCST-HMXCVIKNSA-N 2 0 327.516 3.210 20 0 EGADRP CC(C)(C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1Cc2cccc(F)c2C1 ZINC001171797718 1384640921 /nfs/dbraw/zinc/64/09/21/1384640921.db2.gz BFSQUYJPVHTDHK-IRXDYDNUSA-N 2 0 346.490 3.305 20 0 EGADRP CCOC(=O)C1(C)CCC([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001171946526 1384692012 /nfs/dbraw/zinc/69/20/12/1384692012.db2.gz STESREDKPCEPQM-UHFFFAOYSA-N 2 0 344.499 3.448 20 0 EGADRP CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171961654 1384696682 /nfs/dbraw/zinc/69/66/82/1384696682.db2.gz ACWZFWWQUCZCQP-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC(C4COC4)C2)C3)cc1 ZINC001172079215 1384721356 /nfs/dbraw/zinc/72/13/56/1384721356.db2.gz MZZRSDNJJUHVTR-AERCQKQUSA-N 2 0 326.484 3.150 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccc(F)cc3)CC1)C2 ZINC001172109032 1384727989 /nfs/dbraw/zinc/72/79/89/1384727989.db2.gz BNKZQRGSYVMPKR-PMOLBWCYSA-N 2 0 345.506 3.177 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172204350 1384747861 /nfs/dbraw/zinc/74/78/61/1384747861.db2.gz ZUYZTFAMTWFAKI-LJQANCHMSA-N 2 0 347.572 3.053 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCCOc2cccc(Cl)c2)CC1 ZINC001172244752 1384754861 /nfs/dbraw/zinc/75/48/61/1384754861.db2.gz WYMNEOLWUDOUBQ-UHFFFAOYSA-N 2 0 340.895 3.199 20 0 EGADRP COCCC[NH+]1CCC(n2cc(CC[NH3+])c3cccc(C)c32)CC1 ZINC001172244780 1384754899 /nfs/dbraw/zinc/75/48/99/1384754899.db2.gz YEPGEXGHASUMPW-UHFFFAOYSA-N 2 0 329.488 3.124 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001317004235 1384763192 /nfs/dbraw/zinc/76/31/92/1384763192.db2.gz QLABBPVOBVXVSI-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001172326505 1384770435 /nfs/dbraw/zinc/77/04/35/1384770435.db2.gz BIVHTEFCXAFSMW-ZWKOTPCHSA-N 2 0 340.552 3.308 20 0 EGADRP CC[C@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172335365 1384773568 /nfs/dbraw/zinc/77/35/68/1384773568.db2.gz JPFKQSZQUHKIFD-ROUUACIJSA-N 2 0 333.520 3.477 20 0 EGADRP CC(C)OCC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001172448180 1384793819 /nfs/dbraw/zinc/79/38/19/1384793819.db2.gz AEGRPQFXNLTXSK-YSIASYRMSA-N 2 0 338.536 3.013 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172562089 1384812336 /nfs/dbraw/zinc/81/23/36/1384812336.db2.gz UFNQZHWJXPHKEA-MXEMCNAFSA-N 2 0 327.516 3.033 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172599825 1384817386 /nfs/dbraw/zinc/81/73/86/1384817386.db2.gz XJSQIDLFVXCQLE-QZTJIDSGSA-N 2 0 336.520 3.353 20 0 EGADRP O=C1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001172683902 1384832585 /nfs/dbraw/zinc/83/25/85/1384832585.db2.gz TVUBEONVHZETOH-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1)[NH+](CC)CC ZINC001317085572 1384848297 /nfs/dbraw/zinc/84/82/97/1384848297.db2.gz AGGYYSYFDKUBPV-YKTARERQSA-N 2 0 349.494 3.244 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001172791042 1384852100 /nfs/dbraw/zinc/85/21/00/1384852100.db2.gz GJEJAAGSDCCDNO-MOPGFXCFSA-N 2 0 336.520 3.162 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172824966 1384859264 /nfs/dbraw/zinc/85/92/64/1384859264.db2.gz MOJJIBAVEQYMJE-UHFFFAOYSA-N 2 0 343.559 3.357 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001317098023 1384860707 /nfs/dbraw/zinc/86/07/07/1384860707.db2.gz KEOUPPSGHYKJPB-AYHJJNSGSA-N 2 0 337.552 3.266 20 0 EGADRP CO[C@H]1CCC[C@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)C1 ZINC001172929041 1384881441 /nfs/dbraw/zinc/88/14/41/1384881441.db2.gz NBKOTDNUCJKYNS-JOHXPNBHSA-N 2 0 336.460 3.080 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001172943978 1384885412 /nfs/dbraw/zinc/88/54/12/1384885412.db2.gz NIRWBVJKNKAKRI-KRWDZBQOSA-N 2 0 341.540 3.344 20 0 EGADRP CCCCN(CC)CC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172994678 1384896073 /nfs/dbraw/zinc/89/60/73/1384896073.db2.gz ZQEWRPJUIQJHPJ-UHFFFAOYSA-N 2 0 349.494 3.142 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173055164 1384903011 /nfs/dbraw/zinc/90/30/11/1384903011.db2.gz RKUGXTVUOYSJPD-DLBZAZTESA-N 2 0 341.540 3.486 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173061524 1384903940 /nfs/dbraw/zinc/90/39/40/1384903940.db2.gz DYNWCOOKYGUXOO-GJZGRUSLSA-N 2 0 327.513 3.094 20 0 EGADRP C[C@H]1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001173067567 1384905999 /nfs/dbraw/zinc/90/59/99/1384905999.db2.gz BWMNCHHDKUQZRH-DOTOQJQBSA-N 2 0 339.524 3.048 20 0 EGADRP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173089474 1384911735 /nfs/dbraw/zinc/91/17/35/1384911735.db2.gz WTPDDIFRRUPIKV-YUELXQCFSA-N 2 0 328.378 3.010 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001173101974 1384914661 /nfs/dbraw/zinc/91/46/61/1384914661.db2.gz RGGKLNSGXDYBJR-HPZPOOBXSA-N 2 0 339.524 3.285 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001173108245 1384916079 /nfs/dbraw/zinc/91/60/79/1384916079.db2.gz HLNJNUAZTJWGDR-UHFFFAOYSA-N 2 0 343.515 3.097 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC1 ZINC001173111947 1384916772 /nfs/dbraw/zinc/91/67/72/1384916772.db2.gz SNUAOMOQPIKPIX-GUMHCPJTSA-N 2 0 347.547 3.115 20 0 EGADRP CCOC[C@@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2c1cnn2C ZINC001173110965 1384917117 /nfs/dbraw/zinc/91/71/17/1384917117.db2.gz LTCFEJPQUPRUSR-AOCRQIFASA-N 2 0 348.535 3.009 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC001173110246 1384917183 /nfs/dbraw/zinc/91/71/83/1384917183.db2.gz QMVWYJBBMYRYJL-UHFFFAOYSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)CC1 ZINC001173113072 1384917478 /nfs/dbraw/zinc/91/74/78/1384917478.db2.gz GTPBODZPWZRXIY-FAFZWHIHSA-N 2 0 347.503 3.196 20 0 EGADRP c1nc2c(s1)C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)CC2 ZINC001173136505 1384921538 /nfs/dbraw/zinc/92/15/38/1384921538.db2.gz PWWGORHSJFISMF-NVXWUHKLSA-N 2 0 331.529 3.411 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)CO2 ZINC001173153866 1384925495 /nfs/dbraw/zinc/92/54/95/1384925495.db2.gz RCMIHZAYTURCSR-AVYPCKFXSA-N 2 0 332.488 3.132 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317170741 1384937058 /nfs/dbraw/zinc/93/70/58/1384937058.db2.gz GXNRMBUPASNECW-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP COC(=O)CCCC[C@H](C)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173443808 1384971291 /nfs/dbraw/zinc/97/12/91/1384971291.db2.gz CVNHCNKGIXGGIS-WDSOQIARSA-N 2 0 347.503 3.275 20 0 EGADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@H+](C)CCO ZINC001173547496 1384981456 /nfs/dbraw/zinc/98/14/56/1384981456.db2.gz QXSASFJLQNPEML-CYBMUJFWSA-N 2 0 333.303 3.218 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]CC1CC[NH+](C(C)C)CC1)CC2 ZINC001173605746 1384986348 /nfs/dbraw/zinc/98/63/48/1384986348.db2.gz YTZBYKLUOULAFQ-FDYSRKEFSA-N 2 0 336.520 3.208 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC001173603619 1384986505 /nfs/dbraw/zinc/98/65/05/1384986505.db2.gz GWJJGABTAAGVJE-BSLVTKGXSA-N 2 0 348.531 3.495 20 0 EGADRP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001173781553 1385016034 /nfs/dbraw/zinc/01/60/34/1385016034.db2.gz MEYCKIDHHIQNDO-LRYGQEGESA-N 2 0 330.472 3.179 20 0 EGADRP CC(=O)Oc1ccc(C2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC001173781991 1385016197 /nfs/dbraw/zinc/01/61/97/1385016197.db2.gz UXLJSUKUKCCCNM-VWPHEMMRSA-N 2 0 330.472 3.498 20 0 EGADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CC1CCCCC1 ZINC001317255111 1385025995 /nfs/dbraw/zinc/02/59/95/1385025995.db2.gz LGYKSSVDBJCPTJ-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650194 1385130418 /nfs/dbraw/zinc/13/04/18/1385130418.db2.gz OTAJIPKDERTEMC-MJRGOJFPSA-N 2 0 337.552 3.482 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949799 1385173514 /nfs/dbraw/zinc/17/35/14/1385173514.db2.gz SXHCAVNIZXPFHR-ZEVQVBBLSA-N 2 0 337.552 3.339 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175049345 1385186415 /nfs/dbraw/zinc/18/64/15/1385186415.db2.gz UKBDKHZVCXBELY-ROUUACIJSA-N 2 0 333.520 3.272 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175049344 1385186551 /nfs/dbraw/zinc/18/65/51/1385186551.db2.gz UKBDKHZVCXBELY-QZTJIDSGSA-N 2 0 333.520 3.272 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C)[NH+](CC)CC ZINC001175217031 1385222952 /nfs/dbraw/zinc/22/29/52/1385222952.db2.gz DPDXFYZQCGTDBY-ZWKOTPCHSA-N 2 0 325.541 3.338 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C\c1ccccc1)[NH+](C)C ZINC001317513023 1385226222 /nfs/dbraw/zinc/22/62/22/1385226222.db2.gz RCZOBWXRZVMODE-YFLQNJEDSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257265 1385231663 /nfs/dbraw/zinc/23/16/63/1385231663.db2.gz XYNQJSOOWAODHS-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001175304883 1385245477 /nfs/dbraw/zinc/24/54/77/1385245477.db2.gz NEJNUQCLPNVJAC-QUCCMNQESA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001175387991 1385272507 /nfs/dbraw/zinc/27/25/07/1385272507.db2.gz FMBPMUVADODAJW-RLLQIKCJSA-N 2 0 345.531 3.005 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001317539958 1385275901 /nfs/dbraw/zinc/27/59/01/1385275901.db2.gz CILDJDNYECCCIC-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175564681 1385333351 /nfs/dbraw/zinc/33/33/51/1385333351.db2.gz DHQQBJNDOKNSMJ-OQUOUOFJSA-N 2 0 343.943 3.268 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175566744 1385334036 /nfs/dbraw/zinc/33/40/36/1385334036.db2.gz ZDMHUDPWQQMXRU-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175566742 1385334469 /nfs/dbraw/zinc/33/44/69/1385334469.db2.gz ZDMHUDPWQQMXRU-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC001335970469 1388979180 /nfs/dbraw/zinc/97/91/80/1388979180.db2.gz JHGJWUSQFCEOJH-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001175786795 1385405830 /nfs/dbraw/zinc/40/58/30/1385405830.db2.gz QHTDRKUGLFQMJZ-HNNXBMFYSA-N 2 0 339.549 3.163 20 0 EGADRP Nc1[nH+]c2ccccc2n1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175796063 1385407609 /nfs/dbraw/zinc/40/76/09/1385407609.db2.gz BNMXRLRYADCPBG-UHFFFAOYSA-N 2 0 336.439 3.472 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC[C@H](C)F)CC1 ZINC001175968013 1385447717 /nfs/dbraw/zinc/44/77/17/1385447717.db2.gz SLTJOUGFOMXQDF-IRXDYDNUSA-N 2 0 343.531 3.120 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001317769723 1385460621 /nfs/dbraw/zinc/46/06/21/1385460621.db2.gz JCEZTNDCFYQMHD-QUCCMNQESA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001176024125 1385464089 /nfs/dbraw/zinc/46/40/89/1385464089.db2.gz LPCIPWIRYWZOOJ-OAHLLOKOSA-N 2 0 339.549 3.163 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC001176110573 1385486147 /nfs/dbraw/zinc/48/61/47/1385486147.db2.gz XUFGMFAONIAONG-KRWDZBQOSA-N 2 0 345.531 3.237 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC001176110574 1385486401 /nfs/dbraw/zinc/48/64/01/1385486401.db2.gz XUFGMFAONIAONG-QGZVFWFLSA-N 2 0 345.531 3.237 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165465 1385500723 /nfs/dbraw/zinc/50/07/23/1385500723.db2.gz MPNXPDLGJNIYLR-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176166527 1385501158 /nfs/dbraw/zinc/50/11/58/1385501158.db2.gz RVWRMVLDPFZABT-ZWKOTPCHSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176183332 1385504150 /nfs/dbraw/zinc/50/41/50/1385504150.db2.gz ACXPKRXMVPJNDK-SFHVURJKSA-N 2 0 347.547 3.237 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001176230420 1385520643 /nfs/dbraw/zinc/52/06/43/1385520643.db2.gz IJIRZTYSDXLNLM-SFHVURJKSA-N 2 0 333.520 3.183 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)CCCC[NH+](C)C ZINC001176231294 1385521784 /nfs/dbraw/zinc/52/17/84/1385521784.db2.gz SWKDEUSZJRSRSV-LXPRWKDFSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(CC)c1 ZINC001176277464 1385536118 /nfs/dbraw/zinc/53/61/18/1385536118.db2.gz FNLSKHUIINMNRJ-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176284739 1385539032 /nfs/dbraw/zinc/53/90/32/1385539032.db2.gz JROBPGOOPOJXMU-JKSUJKDBSA-N 2 0 347.494 3.028 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176286036 1385540085 /nfs/dbraw/zinc/54/00/85/1385540085.db2.gz SMFSYWIPPSZVSI-FXAWDEMLSA-N 2 0 345.531 3.280 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176293175 1385541472 /nfs/dbraw/zinc/54/14/72/1385541472.db2.gz OPFXPUXVCGRAAC-LJQANCHMSA-N 2 0 347.547 3.226 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2c(F)cccc2N2CC[NH+](C)CC2)cc1 ZINC001176294668 1385542362 /nfs/dbraw/zinc/54/23/62/1385542362.db2.gz AOOSVWPRDAHPTR-UHFFFAOYSA-N 2 0 342.462 3.383 20 0 EGADRP Cc1cc(Nc2ccc(OCCC[NH+](C)C)nc2)c2ccccc2[nH+]1 ZINC001176351812 1385559466 /nfs/dbraw/zinc/55/94/66/1385559466.db2.gz KMFMBYCSFXJNPC-UHFFFAOYSA-N 2 0 336.439 3.434 20 0 EGADRP c1nn(CC[NH+]2CCCC2)cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176559471 1385625519 /nfs/dbraw/zinc/62/55/19/1385625519.db2.gz UDWFFXUJVHAICS-UHFFFAOYSA-N 2 0 339.487 3.318 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001176572554 1385628930 /nfs/dbraw/zinc/62/89/30/1385628930.db2.gz BDUCUIIAXYVQHB-RKWFYDHTSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001176728548 1385674447 /nfs/dbraw/zinc/67/44/47/1385674447.db2.gz LOJXVZDAFRCIOB-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176754383 1385683822 /nfs/dbraw/zinc/68/38/22/1385683822.db2.gz UHQCLDVIMZSELI-FXAWDEMLSA-N 2 0 345.531 3.279 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176753637 1385683921 /nfs/dbraw/zinc/68/39/21/1385683921.db2.gz JFFXKDSYMXHACR-INIZCTEOSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001176754484 1385685028 /nfs/dbraw/zinc/68/50/28/1385685028.db2.gz WSHDBIILQOMQFD-LJQANCHMSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001318487946 1385720080 /nfs/dbraw/zinc/72/00/80/1385720080.db2.gz YEYVFGPATITGHD-SLFFLAALSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]CCC1CCCCCC1 ZINC001176933558 1385747918 /nfs/dbraw/zinc/74/79/18/1385747918.db2.gz DUZLMIIYTQFOIK-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001176975725 1385761254 /nfs/dbraw/zinc/76/12/54/1385761254.db2.gz VXSQTGSMUHNZOW-KRWDZBQOSA-N 2 0 347.547 3.481 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001176998509 1385769435 /nfs/dbraw/zinc/76/94/35/1385769435.db2.gz ADGBBFQHLCPJPP-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001318979091 1385907345 /nfs/dbraw/zinc/90/73/45/1385907345.db2.gz MLKUWAJUZNXHAQ-FHWLQOOXSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001177317387 1385911882 /nfs/dbraw/zinc/91/18/82/1385911882.db2.gz VVLANKHYEYBVQQ-LJQANCHMSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001177330869 1385916936 /nfs/dbraw/zinc/91/69/36/1385916936.db2.gz SJITZCOTYBDERP-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)CC1([NH+](C)C)CCCC1 ZINC001177375436 1385933828 /nfs/dbraw/zinc/93/38/28/1385933828.db2.gz FIJKRNMNMPOISY-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177402233 1385944212 /nfs/dbraw/zinc/94/42/12/1385944212.db2.gz KAVDATQPUPEYRV-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001177412711 1385946953 /nfs/dbraw/zinc/94/69/53/1385946953.db2.gz HLKXXBUYBLTVJL-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001177440684 1385958283 /nfs/dbraw/zinc/95/82/83/1385958283.db2.gz PKKSSBQKMQLYHY-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001177445894 1385958989 /nfs/dbraw/zinc/95/89/89/1385958989.db2.gz RXFVLRXXNNTNIB-LJQANCHMSA-N 2 0 339.568 3.371 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001319363379 1386080956 /nfs/dbraw/zinc/08/09/56/1386080956.db2.gz ZFPFFGCIOWHPHJ-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001319372593 1386086790 /nfs/dbraw/zinc/08/67/90/1386086790.db2.gz NJQFJCQPYRKAHZ-SFHVURJKSA-N 2 0 335.536 3.211 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CCCC1)[NH+](C)C ZINC001319385263 1386095779 /nfs/dbraw/zinc/09/57/79/1386095779.db2.gz JRNYJHHFUAKOGH-LJQANCHMSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319393090 1386101088 /nfs/dbraw/zinc/10/10/88/1386101088.db2.gz JKWFAAOXKDMETP-QGZVFWFLSA-N 2 0 327.472 3.142 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001178045221 1386114607 /nfs/dbraw/zinc/11/46/07/1386114607.db2.gz GSEGPDZFXBPIFI-HKUYNNGSSA-N 2 0 331.504 3.108 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001178045512 1386114665 /nfs/dbraw/zinc/11/46/65/1386114665.db2.gz NCAMYJUQLSKPNT-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178526806 1386240869 /nfs/dbraw/zinc/24/08/69/1386240869.db2.gz CVVYBZYPLZXCAG-FGTMMUONSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178687998 1386277889 /nfs/dbraw/zinc/27/78/89/1386277889.db2.gz BJNHKOMKTLAMHW-RTBURBONSA-N 2 0 339.568 3.277 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178692999 1386279534 /nfs/dbraw/zinc/27/95/34/1386279534.db2.gz GRRAMRFCWZHOHL-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1CC1 ZINC001178698624 1386281465 /nfs/dbraw/zinc/28/14/65/1386281465.db2.gz OPZKALPPMBWHKA-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1F ZINC001319763890 1386285648 /nfs/dbraw/zinc/28/56/48/1386285648.db2.gz VREIDVYWRGEGDU-KRWDZBQOSA-N 2 0 341.474 3.424 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001178759354 1386296272 /nfs/dbraw/zinc/29/62/72/1386296272.db2.gz HUXIZLHACFSIIF-IBGZPJMESA-N 2 0 337.552 3.339 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001178815393 1386315233 /nfs/dbraw/zinc/31/52/33/1386315233.db2.gz BEAPVHDVCIENLN-QGZVFWFLSA-N 2 0 339.549 3.163 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001178854199 1386329375 /nfs/dbraw/zinc/32/93/75/1386329375.db2.gz YKGLFHAJJFPKAU-UHFFFAOYSA-N 2 0 347.547 3.492 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178921061 1386349891 /nfs/dbraw/zinc/34/98/91/1386349891.db2.gz VDLBSXHIVVNHMY-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179134258 1386407236 /nfs/dbraw/zinc/40/72/36/1386407236.db2.gz JNLNUFUSZYPPRZ-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179362034 1386464273 /nfs/dbraw/zinc/46/42/73/1386464273.db2.gz UNKQRKHLKJJVQV-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001320041233 1386469376 /nfs/dbraw/zinc/46/93/76/1386469376.db2.gz AXKOHJNWYSNZIG-AZUAARDMSA-N 2 0 347.547 3.341 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179388442 1386471248 /nfs/dbraw/zinc/47/12/48/1386471248.db2.gz GVOFPPPCQNNAJI-TYTUHHLSSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001179392343 1386473201 /nfs/dbraw/zinc/47/32/01/1386473201.db2.gz DOUJKNLSFNRQGT-CEXWTWQISA-N 2 0 349.563 3.031 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001179439116 1386483253 /nfs/dbraw/zinc/48/32/53/1386483253.db2.gz GIPYSOJLQWDTGH-BJLQDIEVSA-N 2 0 345.531 3.285 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC1 ZINC001179461542 1386487824 /nfs/dbraw/zinc/48/78/24/1386487824.db2.gz PBZHDAGJFDTOGQ-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP CCc1ccccc1CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179463286 1386487828 /nfs/dbraw/zinc/48/78/28/1386487828.db2.gz BBGXWWNAUXHLCQ-UHFFFAOYSA-N 2 0 347.547 3.009 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1ccccc1F ZINC001179464188 1386488699 /nfs/dbraw/zinc/48/86/99/1386488699.db2.gz OMVSHFNNIQIYEF-MRXNPFEDSA-N 2 0 337.483 3.105 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CCC1CC1)[NH+](CC)CC ZINC001179565924 1386516403 /nfs/dbraw/zinc/51/64/03/1386516403.db2.gz ZAIQZJFYXGBZPM-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179591515 1386526799 /nfs/dbraw/zinc/52/67/99/1386526799.db2.gz VYRKFLIRVAACII-IEBWSBKVSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001179609361 1386530265 /nfs/dbraw/zinc/53/02/65/1386530265.db2.gz PUGIRQUVXAIGIB-FQEVSTJZSA-N 2 0 347.547 3.410 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C(C)C ZINC001179842902 1386604140 /nfs/dbraw/zinc/60/41/40/1386604140.db2.gz FMBZLTZHARTGDW-CPFIRTDXSA-N 2 0 345.959 3.372 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cc(C)ccc1C ZINC001179988722 1386659904 /nfs/dbraw/zinc/65/99/04/1386659904.db2.gz KZTNHYVRIATKAO-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179988755 1386660019 /nfs/dbraw/zinc/66/00/19/1386660019.db2.gz LYADNHRLEWJLOD-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180060932 1386683641 /nfs/dbraw/zinc/68/36/41/1386683641.db2.gz USQYEYJLDVIMFG-MOPGFXCFSA-N 2 0 339.568 3.277 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180065520 1386685043 /nfs/dbraw/zinc/68/50/43/1386685043.db2.gz QQZZPMNGTWAGAI-SFHVURJKSA-N 2 0 325.541 3.175 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001180117798 1386701267 /nfs/dbraw/zinc/70/12/67/1386701267.db2.gz CUXGBEOESNPHKR-UHFFFAOYSA-N 2 0 347.547 3.493 20 0 EGADRP CNc1ccc(C)cc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001180137395 1386709936 /nfs/dbraw/zinc/70/99/36/1386709936.db2.gz YHBXSEUMXKWPDN-UHFFFAOYSA-N 2 0 344.547 3.027 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001180204221 1386732025 /nfs/dbraw/zinc/73/20/25/1386732025.db2.gz KUSWBPHYGHLDEX-PXNSSMCTSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180212064 1386734997 /nfs/dbraw/zinc/73/49/97/1386734997.db2.gz YZTKUBHTFZDMFD-PCODVIEZSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)c1 ZINC001180226809 1386738888 /nfs/dbraw/zinc/73/88/88/1386738888.db2.gz NSKVPNQBBHKXQS-BJLQDIEVSA-N 2 0 345.531 3.284 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CCC2CCCCC2)C1 ZINC001180259397 1386748311 /nfs/dbraw/zinc/74/83/11/1386748311.db2.gz FNWPIFRJOQGZLZ-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180294445 1386757269 /nfs/dbraw/zinc/75/72/69/1386757269.db2.gz HHEUYWKSLDXAMA-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)cn1 ZINC001321070189 1386800018 /nfs/dbraw/zinc/80/00/18/1386800018.db2.gz KSRAWQWMTZGHDG-IBGZPJMESA-N 2 0 338.499 3.251 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001321273221 1386862706 /nfs/dbraw/zinc/86/27/06/1386862706.db2.gz JSDIEEMMANGEJW-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001180792548 1386875360 /nfs/dbraw/zinc/87/53/60/1386875360.db2.gz CBHBGCZBHVSJLV-MAUKXSAKSA-N 2 0 330.472 3.216 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2coc3ccccc23)C1 ZINC001180802071 1386877288 /nfs/dbraw/zinc/87/72/88/1386877288.db2.gz MHCQGLLUOBRTEX-LJQANCHMSA-N 2 0 336.435 3.289 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCCC1CCCC1 ZINC001180898933 1386893925 /nfs/dbraw/zinc/89/39/25/1386893925.db2.gz GYNSRFQWTARRFR-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1ccccc1 ZINC001181141455 1386944821 /nfs/dbraw/zinc/94/48/21/1386944821.db2.gz OGKDDPGKDOOWLB-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001321977398 1387022234 /nfs/dbraw/zinc/02/22/34/1387022234.db2.gz BINKDLYGALGOBC-JJRVBVJISA-N 2 0 339.911 3.082 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@]1(C)C[NH2+]CC1CCCCC1 ZINC001181736832 1387048572 /nfs/dbraw/zinc/04/85/72/1387048572.db2.gz ZKCRWSBSPLOCOP-DYESRHJHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614177 1387196534 /nfs/dbraw/zinc/19/65/34/1387196534.db2.gz FBTPEWVUUKSMGY-QWFCFKBJSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc3c2OCCO3)n1 ZINC001322861222 1387248239 /nfs/dbraw/zinc/24/82/39/1387248239.db2.gz HZFYVJUJFOZDLN-KRWDZBQOSA-N 2 0 339.439 3.238 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC001336108570 1389015853 /nfs/dbraw/zinc/01/58/53/1389015853.db2.gz PFFWIWXDKOODFN-OAHLLOKOSA-N 2 0 344.528 3.050 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCC3)CC2)CCC1 ZINC001698709997 1406351845 /nfs/dbraw/zinc/35/18/45/1406351845.db2.gz PVBLIJKOQCMRKP-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001329612547 1389184040 /nfs/dbraw/zinc/18/40/40/1389184040.db2.gz NDFZJYBZCTULDN-QKNQBKEWSA-N 2 0 343.515 3.005 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001698718075 1406362468 /nfs/dbraw/zinc/36/24/68/1406362468.db2.gz QJSZSDXPYZKVHZ-DSLXNQLJSA-N 2 0 331.504 3.105 20 0 EGADRP CCCC[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329886691 1389245785 /nfs/dbraw/zinc/24/57/85/1389245785.db2.gz GBIMWOTXIPVHQV-OALUTQOASA-N 2 0 349.494 3.075 20 0 EGADRP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001330030887 1389288608 /nfs/dbraw/zinc/28/86/08/1389288608.db2.gz HKLCPFVHMDBCQD-SJORKVTESA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CN3C[C@@H](C4CCCCC4)CC3=O)C[C@@H]2C1 ZINC001337805525 1389448747 /nfs/dbraw/zinc/44/87/47/1389448747.db2.gz MSBAJRIZWDEHDS-FUMNGEBKSA-N 2 0 347.547 3.035 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+](C(C)(C)C)CC3)c2)C1 ZINC001338165429 1389569930 /nfs/dbraw/zinc/56/99/30/1389569930.db2.gz GMBJSOUULFDGTQ-IBGZPJMESA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(CN(C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001330975990 1389583830 /nfs/dbraw/zinc/58/38/30/1389583830.db2.gz JFZOXLNMWMHYHV-ZDUSSCGKSA-N 2 0 337.895 3.366 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC001330987246 1389587303 /nfs/dbraw/zinc/58/73/03/1389587303.db2.gz DMPSXTGYGBPMLQ-NRFANRHFSA-N 2 0 349.478 3.498 20 0 EGADRP CC[NH+](CC)CCCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC001338461858 1389688088 /nfs/dbraw/zinc/68/80/88/1389688088.db2.gz PVOLGYMQMXRLEV-MRXNPFEDSA-N 2 0 343.309 3.194 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1C(F)(F)F ZINC001331475876 1389763861 /nfs/dbraw/zinc/76/38/61/1389763861.db2.gz SNUWHVVBKJHEOE-LBPRGKRZSA-N 2 0 343.393 3.095 20 0 EGADRP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2C)cs1 ZINC001332183541 1390025993 /nfs/dbraw/zinc/02/59/93/1390025993.db2.gz DDGJMBJRCNZUDA-WBVHZDCISA-N 2 0 349.544 3.010 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ccc2C)[C@H]1C ZINC001332219374 1390050436 /nfs/dbraw/zinc/05/04/36/1390050436.db2.gz NUWTYXLKMWBMJK-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC001333423479 1390301006 /nfs/dbraw/zinc/30/10/06/1390301006.db2.gz QTRDZDBQYSDRQN-GHTZIAJQSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001333890424 1390431041 /nfs/dbraw/zinc/43/10/41/1390431041.db2.gz CLWWKCAPVVLLHQ-XYJFISCASA-N 2 0 342.487 3.151 20 0 EGADRP CCCN(C(=O)[C@@H](C)[NH2+]C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001341404995 1390482708 /nfs/dbraw/zinc/48/27/08/1390482708.db2.gz QPEWOMAPDAWMJQ-QGZVFWFLSA-N 2 0 343.515 3.030 20 0 EGADRP [NH3+]CC[C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c2ccccc21 ZINC001341525588 1390497833 /nfs/dbraw/zinc/49/78/33/1390497833.db2.gz MCAJRHDVDOKPAA-QZTJIDSGSA-N 2 0 349.478 3.158 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@]12CC[NH2+][C@H]1CCCC2)c1ccsc1 ZINC001341556108 1390501874 /nfs/dbraw/zinc/50/18/74/1390501874.db2.gz UALDLJJFEWGKSV-ZIFCJYIRSA-N 2 0 349.544 3.170 20 0 EGADRP C[NH+](C)C[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC001342281216 1390595537 /nfs/dbraw/zinc/59/55/37/1390595537.db2.gz PCBYOYIXJBQPET-RTBURBONSA-N 2 0 343.446 3.025 20 0 EGADRP C[C@H]([NH2+]CCOC1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001335506929 1390695758 /nfs/dbraw/zinc/69/57/58/1390695758.db2.gz QXJBUYVMEAHCMY-HKUYNNGSSA-N 2 0 348.556 3.399 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001345041619 1390832717 /nfs/dbraw/zinc/83/27/17/1390832717.db2.gz BDDYMLFDELLZJY-UXHICEINSA-N 2 0 343.515 3.275 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001345955102 1390897145 /nfs/dbraw/zinc/89/71/45/1390897145.db2.gz BAYLJOBCUWCUAJ-INIZCTEOSA-N 2 0 334.479 3.479 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH3+])cc1)C(C)C ZINC001346103236 1390907717 /nfs/dbraw/zinc/90/77/17/1390907717.db2.gz HAFXEYXHBJDONL-UHFFFAOYSA-N 2 0 339.483 3.306 20 0 EGADRP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)[NH+](C)C ZINC001488660283 1391698259 /nfs/dbraw/zinc/69/82/59/1391698259.db2.gz CNVNNXKQCSRFMB-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001479831091 1392417345 /nfs/dbraw/zinc/41/73/45/1392417345.db2.gz CSFBXIGMRCMJJI-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001479967882 1392503940 /nfs/dbraw/zinc/50/39/40/1392503940.db2.gz PATUYWNJPFOAMX-IBGZPJMESA-N 2 0 345.531 3.016 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001479969265 1392505339 /nfs/dbraw/zinc/50/53/39/1392505339.db2.gz ZPLSNEPZJNBNRQ-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001480174692 1392609454 /nfs/dbraw/zinc/60/94/54/1392609454.db2.gz YLVTZLFEAMPOCU-NSISKUIASA-N 2 0 345.531 3.281 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001480538247 1392784142 /nfs/dbraw/zinc/78/41/42/1392784142.db2.gz WCZMEDZVHMHDLJ-WMZOPIPTSA-N 2 0 333.520 3.210 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)CNC(=O)c2ccc(C[NH+](C)C)cc2)cs1 ZINC001480553560 1392790756 /nfs/dbraw/zinc/79/07/56/1392790756.db2.gz FBNWUACBHUTTTQ-AWEZNQCLSA-N 2 0 345.512 3.026 20 0 EGADRP CCc1ccc(C[N@H+](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001480920645 1393021458 /nfs/dbraw/zinc/02/14/58/1393021458.db2.gz WBDXUBQBHCLMHA-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001481118843 1393124681 /nfs/dbraw/zinc/12/46/81/1393124681.db2.gz NEFQIEHCKBIRFP-XLIONFOSSA-N 2 0 345.531 3.088 20 0 EGADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001698890542 1406622908 /nfs/dbraw/zinc/62/29/08/1406622908.db2.gz JWQHQYJXHBZCSC-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001490421782 1394222696 /nfs/dbraw/zinc/22/26/96/1394222696.db2.gz NKWFVJKTXPGCNQ-KXBFYZLASA-N 2 0 349.494 3.150 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001491174000 1394458838 /nfs/dbraw/zinc/45/88/38/1394458838.db2.gz VNYSHGSVZPZDCN-MOPGFXCFSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@@H+](C)C2CCC2)cs1 ZINC001491210546 1394472819 /nfs/dbraw/zinc/47/28/19/1394472819.db2.gz RQKMVAYGHARHMO-SFHVURJKSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001491231130 1394486383 /nfs/dbraw/zinc/48/63/83/1394486383.db2.gz XKYIBOKUQPTKGX-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001483915674 1395143494 /nfs/dbraw/zinc/14/34/94/1395143494.db2.gz HOMBSMADLNPRTN-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001483915672 1395143601 /nfs/dbraw/zinc/14/36/01/1395143601.db2.gz HOMBSMADLNPRTN-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001484473417 1395407938 /nfs/dbraw/zinc/40/79/38/1395407938.db2.gz UHJJQYFYOFZOKS-YSIASYRMSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001484716239 1395476888 /nfs/dbraw/zinc/47/68/88/1395476888.db2.gz GHKUQSCPWWNFGR-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CCc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001484724828 1395489022 /nfs/dbraw/zinc/48/90/22/1395489022.db2.gz YZTADJXWSWKBTI-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001484728327 1395491466 /nfs/dbraw/zinc/49/14/66/1395491466.db2.gz MJFKYNFLXUNCGE-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC001485303368 1395781195 /nfs/dbraw/zinc/78/11/95/1395781195.db2.gz QIFMUMSPLRLTAJ-MRXNPFEDSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001485703212 1396109370 /nfs/dbraw/zinc/10/93/70/1396109370.db2.gz SULYSCGHGFBFLA-JPLJXNOCSA-N 2 0 345.531 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001485766245 1396143075 /nfs/dbraw/zinc/14/30/75/1396143075.db2.gz DJIBTLXPRSMXHD-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001485767921 1396145160 /nfs/dbraw/zinc/14/51/60/1396145160.db2.gz SHODMXGBICRNCQ-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001502371162 1396198611 /nfs/dbraw/zinc/19/86/11/1396198611.db2.gz BQBSSWCZPTUQAP-HXUWFJFHSA-N 2 0 347.547 3.170 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493240647 1396338721 /nfs/dbraw/zinc/33/87/21/1396338721.db2.gz SPEYTPSUYYUZPS-ROUUACIJSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001495939295 1396573135 /nfs/dbraw/zinc/57/31/35/1396573135.db2.gz GPZSSOVAMUXSEP-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001495949461 1396575156 /nfs/dbraw/zinc/57/51/56/1396575156.db2.gz OHMMVCMPIKGLKS-MRDWYFFCSA-N 2 0 341.927 3.020 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498454717 1397000596 /nfs/dbraw/zinc/00/05/96/1397000596.db2.gz DRNQLOUPWGMEMW-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@@H](CC)c2ccccc2)CC1)[NH+](C)C ZINC001690030056 1404269044 /nfs/dbraw/zinc/26/90/44/1404269044.db2.gz RIHDDJLCQBFQRC-PMACEKPBSA-N 2 0 345.531 3.401 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690780805 1404729145 /nfs/dbraw/zinc/72/91/45/1404729145.db2.gz LYVPMCWZCRHTFJ-ZWKOTPCHSA-N 2 0 339.568 3.418 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1cccc(C)c1 ZINC001691180367 1405118179 /nfs/dbraw/zinc/11/81/79/1405118179.db2.gz AIYTZMYPQAUHEJ-QWFCFKBJSA-N 2 0 345.531 3.224 20 0 EGADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001725780051 1426464291 /nfs/dbraw/zinc/46/42/91/1426464291.db2.gz PIHVQSFZHBHQSS-UHFFFAOYSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001725749524 1426428047 /nfs/dbraw/zinc/42/80/47/1426428047.db2.gz PTKPSIFEBHROLB-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001691708594 1405436923 /nfs/dbraw/zinc/43/69/23/1405436923.db2.gz CUKORMUGYNZIBP-KURKYZTESA-N 2 0 343.515 3.025 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001691708596 1405436935 /nfs/dbraw/zinc/43/69/35/1405436935.db2.gz CUKORMUGYNZIBP-OKZBNKHCSA-N 2 0 343.515 3.025 20 0 EGADRP CCC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001691793734 1405503890 /nfs/dbraw/zinc/50/38/90/1405503890.db2.gz ZXGQOYWXJWUVLS-LJQANCHMSA-N 2 0 345.531 3.356 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001692150849 1405803981 /nfs/dbraw/zinc/80/39/81/1405803981.db2.gz FGADGBMGEUKWPH-YSIASYRMSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001732055585 1428299184 /nfs/dbraw/zinc/29/91/84/1428299184.db2.gz ZCPRFHHFEWFZID-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732090174 1428354837 /nfs/dbraw/zinc/35/48/37/1428354837.db2.gz GXAUFWBJNYIZTB-GGPKGHCWSA-N 2 0 345.531 3.223 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732090175 1428355060 /nfs/dbraw/zinc/35/50/60/1428355060.db2.gz GXAUFWBJNYIZTB-NSHGMRRFSA-N 2 0 345.531 3.223 20 0 EGADRP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001732213786 1428461989 /nfs/dbraw/zinc/46/19/89/1428461989.db2.gz IOOUHFNFNHDEOI-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[NH2+]CC2CCCCC2)cc1)[NH+](C)C ZINC001732317704 1428528469 /nfs/dbraw/zinc/52/84/69/1428528469.db2.gz OPNOVRMWAPPCIT-HXUWFJFHSA-N 2 0 345.531 3.313 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001732322258 1428531750 /nfs/dbraw/zinc/53/17/50/1428531750.db2.gz HDITZXWBTLRQAC-UHFFFAOYSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)C[NH+]1CCC(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001732326516 1428534952 /nfs/dbraw/zinc/53/49/52/1428534952.db2.gz WUNJNTSINYTTIL-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH+]1CCC(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001732326515 1428534984 /nfs/dbraw/zinc/53/49/84/1428534984.db2.gz WUNJNTSINYTTIL-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CCC2CC2)CCCC1)[NH+]1CCCCC1 ZINC001732399568 1428565790 /nfs/dbraw/zinc/56/57/90/1428565790.db2.gz BVZLBNKQDRNIIX-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732419684 1428573819 /nfs/dbraw/zinc/57/38/19/1428573819.db2.gz NWYSYHKSKBNAFO-ROUUACIJSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@H](C[N@H+](C)CC/C=C/c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699445913 1412780099 /nfs/dbraw/zinc/78/00/99/1412780099.db2.gz JABOZNIMYDRLEE-INMULRNOSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463084 1412820895 /nfs/dbraw/zinc/82/08/95/1412820895.db2.gz DCKFPJLKGPVSHS-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001732538576 1428687582 /nfs/dbraw/zinc/68/75/82/1428687582.db2.gz AXEVKSOJZBQLRO-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001699579884 1412935880 /nfs/dbraw/zinc/93/58/80/1412935880.db2.gz UHBJPPLEOKWJSY-IBGZPJMESA-N 2 0 349.563 3.172 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001699676528 1413070839 /nfs/dbraw/zinc/07/08/39/1413070839.db2.gz UNOFNPDWHKOXGS-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2)[NH+](CC)CC ZINC001699694947 1413103540 /nfs/dbraw/zinc/10/35/40/1413103540.db2.gz PBCFOHQXEDGCAD-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001699803703 1413215594 /nfs/dbraw/zinc/21/55/94/1413215594.db2.gz FLHLBKBKJXEFPH-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC001700195651 1413635438 /nfs/dbraw/zinc/63/54/38/1413635438.db2.gz VJIFFZHTBYYCSQ-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001700364229 1413883620 /nfs/dbraw/zinc/88/36/20/1413883620.db2.gz PLDHUAQPJYUUJE-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001700478493 1414110500 /nfs/dbraw/zinc/11/05/00/1414110500.db2.gz QBRWMYHIGPPUOF-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700485890 1414131695 /nfs/dbraw/zinc/13/16/95/1414131695.db2.gz BGDRYJBLNUIFGW-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001700488748 1414139060 /nfs/dbraw/zinc/13/90/60/1414139060.db2.gz FOJNCJATQNKDPL-IBGZPJMESA-N 2 0 345.531 3.198 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700544992 1414213338 /nfs/dbraw/zinc/21/33/38/1414213338.db2.gz DPJJZHGRNNCBJM-DLBZAZTESA-N 2 0 339.568 3.083 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001700556047 1414225943 /nfs/dbraw/zinc/22/59/43/1414225943.db2.gz VTXOJZNTYMYNOL-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@@H](C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1)[NH+](CC)CC ZINC001700696541 1414354347 /nfs/dbraw/zinc/35/43/47/1414354347.db2.gz KRRUVKPWUACJFI-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CCC2CCCC2)C1 ZINC001732589163 1428807370 /nfs/dbraw/zinc/80/73/70/1428807370.db2.gz FMNXWOISPVHTKX-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001701024412 1414685845 /nfs/dbraw/zinc/68/58/45/1414685845.db2.gz CWMRUNBREVCXFC-GTPINHCMSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001732701140 1428916362 /nfs/dbraw/zinc/91/63/62/1428916362.db2.gz FRHJBIZEXPSVQT-CRAIPNDOSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1cc(C[NH2+]C[C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)cs1 ZINC001733027892 1429147499 /nfs/dbraw/zinc/14/74/99/1429147499.db2.gz QINPLIMSNRQBCS-AWEZNQCLSA-N 2 0 345.512 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCCCC1 ZINC001707450147 1417354331 /nfs/dbraw/zinc/35/43/31/1417354331.db2.gz ZMJABCKWNHVWFX-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713086694 1417633312 /nfs/dbraw/zinc/63/33/12/1417633312.db2.gz GIWYVBWRNFHKIS-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC[NH+](CC2CC2)CC1 ZINC001713101180 1417654613 /nfs/dbraw/zinc/65/46/13/1417654613.db2.gz PHIHGZOLHIHZOY-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C[N@H+](C)CCCC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058529 1429203154 /nfs/dbraw/zinc/20/31/54/1429203154.db2.gz LJGQNLDWPWZBFF-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001713180637 1417754863 /nfs/dbraw/zinc/75/48/63/1417754863.db2.gz RNVLKUKCKJJTTO-OHSMVPPVSA-N 2 0 343.515 3.201 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001713399966 1418021094 /nfs/dbraw/zinc/02/10/94/1418021094.db2.gz WVGOFPDNJISYGE-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCCCCC1 ZINC001713459693 1418115217 /nfs/dbraw/zinc/11/52/17/1418115217.db2.gz KXTNFNDXQOKYQS-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](C)Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001713473263 1418147599 /nfs/dbraw/zinc/14/75/99/1418147599.db2.gz SFZXNBJQCIJNTR-FQEVSTJZSA-N 2 0 341.499 3.036 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001713477387 1418159931 /nfs/dbraw/zinc/15/99/31/1418159931.db2.gz NIUMQGPJVBMXKY-KRWDZBQOSA-N 2 0 349.494 3.201 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713679988 1418431733 /nfs/dbraw/zinc/43/17/33/1418431733.db2.gz GCTLGXRKMJDOJS-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001713734485 1418525770 /nfs/dbraw/zinc/52/57/70/1418525770.db2.gz IWDHFRLOCRMNPP-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001713758989 1418565408 /nfs/dbraw/zinc/56/54/08/1418565408.db2.gz IKCROSIWXNOAOF-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713804718 1418617217 /nfs/dbraw/zinc/61/72/17/1418617217.db2.gz CKRGZIIAZVWOHX-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001713915395 1418710857 /nfs/dbraw/zinc/71/08/57/1418710857.db2.gz VXBRRDNRKBBKME-KDURUIRLSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001713965138 1418744759 /nfs/dbraw/zinc/74/47/59/1418744759.db2.gz YNTACIRQJHNCJK-QWFCFKBJSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001714124990 1418929339 /nfs/dbraw/zinc/92/93/39/1418929339.db2.gz LMIWGADTGZENCR-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001714134655 1418937760 /nfs/dbraw/zinc/93/77/60/1418937760.db2.gz IYZYLDSYVHKSIN-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C[NH2+]C[C@H](C)CC)CCCC2)C1 ZINC001714140712 1418943445 /nfs/dbraw/zinc/94/34/45/1418943445.db2.gz TWIXFBFRHJMDBD-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001714322918 1419100994 /nfs/dbraw/zinc/10/09/94/1419100994.db2.gz POBMVTHWEJSBRB-UHFFFAOYSA-N 2 0 345.531 3.169 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001714433857 1419166328 /nfs/dbraw/zinc/16/63/28/1419166328.db2.gz HSONPCQYNPYLLK-RTBURBONSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714442955 1419175080 /nfs/dbraw/zinc/17/50/80/1419175080.db2.gz QZOJFVMTRDPCAU-IEBWSBKVSA-N 2 0 345.531 3.130 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CCCC3CCC3)C2)CC1 ZINC001714449202 1419182377 /nfs/dbraw/zinc/18/23/77/1419182377.db2.gz YWRZRVYMVHHLAG-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CC(C)C3)CCCC2)C1 ZINC001714501685 1419227884 /nfs/dbraw/zinc/22/78/84/1419227884.db2.gz OIMLVKMLURYGJD-CTWPCTMYSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CCCCCC1 ZINC001714542050 1419267368 /nfs/dbraw/zinc/26/73/68/1419267368.db2.gz FRUZUCXHHPNYGH-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCc1ccc(C[N@H+](CC)CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)cc1 ZINC001714587886 1419332361 /nfs/dbraw/zinc/33/23/61/1419332361.db2.gz ZHEHMONPVUAJNV-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1ccccc1C ZINC001714618340 1419382635 /nfs/dbraw/zinc/38/26/35/1419382635.db2.gz KQUXLAMSKNSFKU-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714651115 1419427975 /nfs/dbraw/zinc/42/79/75/1419427975.db2.gz VEADJSZODAPOHW-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001714881380 1419618409 /nfs/dbraw/zinc/61/84/09/1419618409.db2.gz AZNRSVNBTWUSEK-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001714934406 1419683639 /nfs/dbraw/zinc/68/36/39/1419683639.db2.gz SFWULUUATPSYBA-HXUWFJFHSA-N 2 0 345.531 3.039 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001715035816 1419770735 /nfs/dbraw/zinc/77/07/35/1419770735.db2.gz AWNMPRWMZNHBMY-HKUYNNGSSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001715098252 1419838903 /nfs/dbraw/zinc/83/89/03/1419838903.db2.gz LJPNTMZAAVNBAP-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001715156599 1419899258 /nfs/dbraw/zinc/89/92/58/1419899258.db2.gz LHNZRBHVANIDEO-PMACEKPBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001715191556 1419923592 /nfs/dbraw/zinc/92/35/92/1419923592.db2.gz SXVYJQVSXTYITH-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2CCC2)CCCC1)[NH+]1CCCCC1 ZINC001715300070 1420007423 /nfs/dbraw/zinc/00/74/23/1420007423.db2.gz KUKUILCFOPFLOG-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001715316938 1420026009 /nfs/dbraw/zinc/02/60/09/1420026009.db2.gz XWLLMIYQDVDTTR-SFHVURJKSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715369775 1420066303 /nfs/dbraw/zinc/06/63/03/1420066303.db2.gz RHNKQUOGJFZUQH-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715453720 1420135971 /nfs/dbraw/zinc/13/59/71/1420135971.db2.gz BNVIUSMJZQLPEU-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715453716 1420136013 /nfs/dbraw/zinc/13/60/13/1420136013.db2.gz BNVIUSMJZQLPEU-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001715457433 1420138491 /nfs/dbraw/zinc/13/84/91/1420138491.db2.gz PMKCCKJEQXRYMB-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001715479282 1420157671 /nfs/dbraw/zinc/15/76/71/1420157671.db2.gz ZNDIERJOOZWZQD-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001715531715 1420222954 /nfs/dbraw/zinc/22/29/54/1420222954.db2.gz KOUNFARWJWDOPW-UHFFFAOYSA-N 2 0 347.547 3.172 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001715554203 1420248905 /nfs/dbraw/zinc/24/89/05/1420248905.db2.gz HDJHTTATZSFFSN-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CC[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C[N@H+](C)C1CCC1 ZINC001715655797 1420280859 /nfs/dbraw/zinc/28/08/59/1420280859.db2.gz OLBFPVVPLRFFPB-OXJNMPFZSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001716662916 1420816445 /nfs/dbraw/zinc/81/64/45/1420816445.db2.gz OUYCIFXZTWIXCB-OALUTQOASA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001716772056 1420915679 /nfs/dbraw/zinc/91/56/79/1420915679.db2.gz YRJNRKOCOMILJQ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC[NH+](CCC2CC2)C2CCCCCC2)CC[N@@H+]1C ZINC001733277974 1429444704 /nfs/dbraw/zinc/44/47/04/1429444704.db2.gz KVINNOLRJJPVBO-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001717114521 1421118651 /nfs/dbraw/zinc/11/86/51/1421118651.db2.gz DNYDRAHDOLPQFU-INIZCTEOSA-N 2 0 343.515 3.238 20 0 EGADRP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001717117775 1421122120 /nfs/dbraw/zinc/12/21/20/1421122120.db2.gz CHUQOTROHFGGMM-KRWDZBQOSA-N 2 0 331.504 3.238 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001717145747 1421138571 /nfs/dbraw/zinc/13/85/71/1421138571.db2.gz YOXJSULQOMABAP-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001717202202 1421170475 /nfs/dbraw/zinc/17/04/75/1421170475.db2.gz OMLUNAHDIQVGCV-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001717217548 1421195556 /nfs/dbraw/zinc/19/55/56/1421195556.db2.gz SKLYERZVEVZHCU-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001717334911 1421271250 /nfs/dbraw/zinc/27/12/50/1421271250.db2.gz BINUVSXPGTVUCB-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001717454202 1421383918 /nfs/dbraw/zinc/38/39/18/1421383918.db2.gz RXPPAPNZRAZKDJ-IEBWSBKVSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1c(C(=O)N(C)CC[C@@H]([NH2+]CC2CC2)C(C)C)ccc2c[nH+]cn21 ZINC001717513798 1421450672 /nfs/dbraw/zinc/45/06/72/1421450672.db2.gz BNEDXCIPXGDPAE-LJQANCHMSA-N 2 0 342.487 3.129 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001717537463 1421475436 /nfs/dbraw/zinc/47/54/36/1421475436.db2.gz FIDXSWPZTXLWFH-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C[C@H]1C ZINC001717828995 1421642275 /nfs/dbraw/zinc/64/22/75/1421642275.db2.gz ZMBKNEHFJOMFAT-MJGOQNOKSA-N 2 0 345.531 3.231 20 0 EGADRP CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C\c1ccccc1)C(C)(C)C)[NH+](C)C ZINC001717970903 1421742889 /nfs/dbraw/zinc/74/28/89/1421742889.db2.gz DMESPYLDIWLOQW-CIMVEIJJSA-N 2 0 345.531 3.161 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[C@H]1C ZINC001733335400 1429520513 /nfs/dbraw/zinc/52/05/13/1429520513.db2.gz IWKGHLQXKWPFAR-YGQKLEOUSA-N 2 0 343.515 3.011 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCC2)CCCCC1 ZINC001733381514 1429566522 /nfs/dbraw/zinc/56/65/22/1429566522.db2.gz JBWAIGDCJVZILN-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC/C=C/c2ccccc2)C1 ZINC001733412706 1429614142 /nfs/dbraw/zinc/61/41/42/1429614142.db2.gz ONYVTAHKYPKJAE-HSRJRILOSA-N 2 0 343.515 3.012 20 0 EGADRP O=C(N[C@@H](C[NH2+]CC1CCCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001723311576 1424344965 /nfs/dbraw/zinc/34/49/65/1424344965.db2.gz LGYZMXAFRBPMEN-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001723376090 1424376528 /nfs/dbraw/zinc/37/65/28/1424376528.db2.gz FBFVXSZFKYJADO-VQTJNVASSA-N 2 0 345.531 3.054 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001723875929 1424594678 /nfs/dbraw/zinc/59/46/78/1424594678.db2.gz OBVWJBIFKPVQGU-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1)[NH+](C)C ZINC001724741306 1425107453 /nfs/dbraw/zinc/10/74/53/1425107453.db2.gz JGQAVFKQPMUTJK-UZLBHIALSA-N 2 0 345.531 3.340 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001724853921 1425221710 /nfs/dbraw/zinc/22/17/10/1425221710.db2.gz HCKAJNSZQALESY-INIZCTEOSA-N 2 0 349.494 3.009 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001725188938 1425728138 /nfs/dbraw/zinc/72/81/38/1425728138.db2.gz KXGVTWGVMPTGJD-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CCCC1CCCC1 ZINC001725190431 1425734528 /nfs/dbraw/zinc/73/45/28/1425734528.db2.gz NXOGRDIZVWMMTR-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001725601140 1426255955 /nfs/dbraw/zinc/25/59/55/1426255955.db2.gz MYFDNEJELALLRD-OXJNMPFZSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCCC1CCCC1 ZINC001725634116 1426304069 /nfs/dbraw/zinc/30/40/69/1426304069.db2.gz RMARKWKYHURNSH-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001725669528 1426353338 /nfs/dbraw/zinc/35/33/38/1426353338.db2.gz XTDHAWHEPHDNSW-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001731352266 1427291408 /nfs/dbraw/zinc/29/14/08/1427291408.db2.gz MBKRISKIPBZNPX-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C2CCC2)C2CC2)c1 ZINC001731396884 1427353115 /nfs/dbraw/zinc/35/31/15/1427353115.db2.gz NBRSSOWSZFXVBB-UZLBHIALSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731457191 1427433424 /nfs/dbraw/zinc/43/34/24/1427433424.db2.gz KXQBTAZPXDRRMX-FCGDIQPGSA-N 2 0 337.552 3.170 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001731783391 1427909616 /nfs/dbraw/zinc/90/96/16/1427909616.db2.gz DBRRMLPEQKYXQW-QGZVFWFLSA-N 2 0 347.547 3.435 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC001731813516 1428001740 /nfs/dbraw/zinc/00/17/40/1428001740.db2.gz WWSILITZZCKWJT-KRWDZBQOSA-N 2 0 349.494 3.057 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1)C1CCC1 ZINC001731829240 1428036353 /nfs/dbraw/zinc/03/63/53/1428036353.db2.gz NSBVUCFXCQZSMV-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001733581730 1429784739 /nfs/dbraw/zinc/78/47/39/1429784739.db2.gz YDOMGCCPHVRBGF-OTWHNJEPSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001733773505 1430011386 /nfs/dbraw/zinc/01/13/86/1430011386.db2.gz IXMHCDITCMDKBY-UYAOXDASSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](CC)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001733918789 1437732249 /nfs/dbraw/zinc/73/22/49/1437732249.db2.gz UUNSMIHZZGQOJW-UHFFFAOYSA-N 2 0 342.487 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001733939100 1437754936 /nfs/dbraw/zinc/75/49/36/1437754936.db2.gz VAVNYFUGQUIMSP-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001734022932 1437811529 /nfs/dbraw/zinc/81/15/29/1437811529.db2.gz SZSNQEPTCXJDCS-QGZVFWFLSA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734055708 1437846140 /nfs/dbraw/zinc/84/61/40/1437846140.db2.gz BNQSHYPAZVXAQL-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001734125578 1437904515 /nfs/dbraw/zinc/90/45/15/1437904515.db2.gz DXNMFJPZMUNSOQ-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001734268838 1437989519 /nfs/dbraw/zinc/98/95/19/1437989519.db2.gz CGDUPKZUHJCQIR-LJQANCHMSA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001734351253 1438069301 /nfs/dbraw/zinc/06/93/01/1438069301.db2.gz AEKIKFXZYITKEA-XLIONFOSSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001734462638 1438119299 /nfs/dbraw/zinc/11/92/99/1438119299.db2.gz UNIPWQOKOUONQT-LPHOPBHVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCCC1 ZINC001752157424 1440147585 /nfs/dbraw/zinc/14/75/85/1440147585.db2.gz QBFNWTIHDLKLPD-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1ccsc1 ZINC001752219414 1440156184 /nfs/dbraw/zinc/15/61/84/1440156184.db2.gz JNPIZDQHGNZCQP-MSOLQXFVSA-N 2 0 349.544 3.093 20 0 EGADRP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001752427746 1440177558 /nfs/dbraw/zinc/17/75/58/1440177558.db2.gz QXNRYXYGKOWXEN-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001752517991 1440191880 /nfs/dbraw/zinc/19/18/80/1440191880.db2.gz LCSCKGGUVRIWDW-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC001752527656 1440193421 /nfs/dbraw/zinc/19/34/21/1440193421.db2.gz LVIGHMQNHHYCQR-MOPGFXCFSA-N 2 0 345.531 3.260 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752706772 1440202874 /nfs/dbraw/zinc/20/28/74/1440202874.db2.gz RFWQFRHEOVDGDD-AZUAARDMSA-N 2 0 349.563 3.362 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001752783209 1440209952 /nfs/dbraw/zinc/20/99/52/1440209952.db2.gz WBKDXBUQVZQBRT-IBGZPJMESA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001752789327 1440213019 /nfs/dbraw/zinc/21/30/19/1440213019.db2.gz YICONCHWFOUABA-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001752851005 1440233485 /nfs/dbraw/zinc/23/34/85/1440233485.db2.gz WGVAMNZZPMWPFV-SOAGJPPSSA-N 2 0 343.515 3.078 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001752850833 1440233547 /nfs/dbraw/zinc/23/35/47/1440233547.db2.gz NTPOUYWITSIPRH-UHFFFAOYSA-N 2 0 349.563 3.457 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752962419 1440253524 /nfs/dbraw/zinc/25/35/24/1440253524.db2.gz FBYJCDYVXFYTRO-IBGZPJMESA-N 2 0 345.531 3.236 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CCCCCC3)C2)CCC1 ZINC001752972093 1440255327 /nfs/dbraw/zinc/25/53/27/1440255327.db2.gz TYNWISDJZRJRPP-RBUKOAKNSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001752996882 1440262582 /nfs/dbraw/zinc/26/25/82/1440262582.db2.gz QHJKKDGGAGVUPU-HKUYNNGSSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753011133 1440266987 /nfs/dbraw/zinc/26/69/87/1440266987.db2.gz PBOSWMGVZFENAH-MSOLQXFVSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@H](CCNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001753017564 1440268930 /nfs/dbraw/zinc/26/89/30/1440268930.db2.gz QRFGJRRONAXRRO-MRXNPFEDSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC=C(C)C ZINC001753027190 1440271647 /nfs/dbraw/zinc/27/16/47/1440271647.db2.gz FWGDNKAVKARFDM-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP Cc1c(C(=O)NCC[N@H+](C)CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001753056240 1440281467 /nfs/dbraw/zinc/28/14/67/1440281467.db2.gz YKKLKXDPNHOUFF-UHFFFAOYSA-N 2 0 330.476 3.131 20 0 EGADRP CCCc1ccc(C[N@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001753074287 1440290386 /nfs/dbraw/zinc/29/03/86/1440290386.db2.gz GLKNPSBMGIDFAZ-QZTJIDSGSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C(C)C)cc1 ZINC001753083725 1440295163 /nfs/dbraw/zinc/29/51/63/1440295163.db2.gz OTHFKJMEGDTVMK-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)[C@@H](C)c1ccc(F)cc1 ZINC001753095038 1440301852 /nfs/dbraw/zinc/30/18/52/1440301852.db2.gz NCBRJRAMQHSRAO-QFBILLFUSA-N 2 0 349.494 3.199 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001753120032 1440313474 /nfs/dbraw/zinc/31/34/74/1440313474.db2.gz RQUPAOSANBRAPY-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001753141032 1440321074 /nfs/dbraw/zinc/32/10/74/1440321074.db2.gz TYJZUGIECISTPB-FQEVSTJZSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC001753143081 1440322660 /nfs/dbraw/zinc/32/26/60/1440322660.db2.gz IDEKVCBRPIIMPO-FRQCXROJSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)c1ccccc1C ZINC001753147358 1440325336 /nfs/dbraw/zinc/32/53/36/1440325336.db2.gz ANFIXLQAKMYRQQ-HKUYNNGSSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001753189318 1440337499 /nfs/dbraw/zinc/33/74/99/1440337499.db2.gz KWKIZRFLRGIFSZ-KRWDZBQOSA-N 2 0 331.504 3.060 20 0 EGADRP CCCCCC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001753274695 1440345989 /nfs/dbraw/zinc/34/59/89/1440345989.db2.gz SEKRTWNKXIGRJI-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001753278164 1440346748 /nfs/dbraw/zinc/34/67/48/1440346748.db2.gz OEGCNLMXQPREMU-QGZVFWFLSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001753279044 1440346945 /nfs/dbraw/zinc/34/69/45/1440346945.db2.gz ZKEMHDOZDUIDLO-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CCCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001753317893 1440360786 /nfs/dbraw/zinc/36/07/86/1440360786.db2.gz YEMKMPOATQFZEK-SFHVURJKSA-N 2 0 342.487 3.225 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CCC1 ZINC001753332170 1440370124 /nfs/dbraw/zinc/37/01/24/1440370124.db2.gz JJNJJXGXJPGWPO-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753457475 1440408873 /nfs/dbraw/zinc/40/88/73/1440408873.db2.gz RBEUNOLZIWFOJU-KZNAEPCWSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001753487253 1440418145 /nfs/dbraw/zinc/41/81/45/1440418145.db2.gz GBOQPTBGPOXTKA-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(NC1(C[NH2+]CCC2CCCCC2)CCCC1)C12CC[NH+](CC1)C2 ZINC001753509814 1440425522 /nfs/dbraw/zinc/42/55/22/1440425522.db2.gz FRPNPQDFFVERBO-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CCCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001753518147 1440427926 /nfs/dbraw/zinc/42/79/26/1440427926.db2.gz BYDFHUVPBANCCG-OZOXKJRCSA-N 2 0 349.563 3.172 20 0 EGADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001753575474 1440439159 /nfs/dbraw/zinc/43/91/59/1440439159.db2.gz IXWXCYRDBQATCF-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001753581714 1440440273 /nfs/dbraw/zinc/44/02/73/1440440273.db2.gz YSRXZYXNCTWORE-FHWLQOOXSA-N 2 0 335.536 3.090 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001753586826 1440441601 /nfs/dbraw/zinc/44/16/01/1440441601.db2.gz CXRQRUOLFOSQFD-UWCDRFHNSA-N 2 0 335.536 3.092 20 0 EGADRP C[N@H+](CC(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1)CC(C)(C)C ZINC001753590732 1440442904 /nfs/dbraw/zinc/44/29/04/1440442904.db2.gz MPQUZNGXPDLGEK-UHFFFAOYSA-N 2 0 345.531 3.170 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001753595457 1440444485 /nfs/dbraw/zinc/44/44/85/1440444485.db2.gz ZBADVIIYVZQGBK-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCC(C)(C)C ZINC001753632111 1440452304 /nfs/dbraw/zinc/45/23/04/1440452304.db2.gz HLUPBVGGNZTAII-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753704653 1440469370 /nfs/dbraw/zinc/46/93/70/1440469370.db2.gz HUHUOKLUVXVSSL-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001753728550 1440474971 /nfs/dbraw/zinc/47/49/71/1440474971.db2.gz CFYCZWQNRYOAMK-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001753729683 1440475526 /nfs/dbraw/zinc/47/55/26/1440475526.db2.gz PGLSBVPJPDNHMH-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753785204 1440487949 /nfs/dbraw/zinc/48/79/49/1440487949.db2.gz SXDZORKTTVQODE-FHWLQOOXSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753794667 1440489461 /nfs/dbraw/zinc/48/94/61/1440489461.db2.gz QCBBYKKDESMKTJ-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753889818 1440521759 /nfs/dbraw/zinc/52/17/59/1440521759.db2.gz UTTDOEJXXMNDCJ-FUHWJXTLSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753901729 1440523573 /nfs/dbraw/zinc/52/35/73/1440523573.db2.gz LNRIQIOXKFHXLT-PMACEKPBSA-N 2 0 345.531 3.282 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754060912 1440536888 /nfs/dbraw/zinc/53/68/88/1440536888.db2.gz AEYQLUADBUEGGR-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001754191447 1440549104 /nfs/dbraw/zinc/54/91/04/1440549104.db2.gz MCLVUQZQXMRDCH-JTHGQSKGSA-N 2 0 343.515 3.130 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC001754243930 1440556412 /nfs/dbraw/zinc/55/64/12/1440556412.db2.gz YHHVQUKTZCSNHB-MOPGFXCFSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001754324035 1440579407 /nfs/dbraw/zinc/57/94/07/1440579407.db2.gz XRQIPKHTDOTVDM-HNAYVOBHSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754329352 1440582776 /nfs/dbraw/zinc/58/27/76/1440582776.db2.gz ZWHNEUPRWQHGQL-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001754336891 1440587049 /nfs/dbraw/zinc/58/70/49/1440587049.db2.gz PHTOUWYRIFGDAZ-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001754350822 1440590750 /nfs/dbraw/zinc/59/07/50/1440590750.db2.gz FZKLYHGBYGNYPH-QZTJIDSGSA-N 2 0 337.552 3.027 20 0 EGADRP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001754378149 1440593058 /nfs/dbraw/zinc/59/30/58/1440593058.db2.gz YSJXLRSQWWAXPB-QZTJIDSGSA-N 2 0 346.519 3.312 20 0 EGADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001754391782 1440594140 /nfs/dbraw/zinc/59/41/40/1440594140.db2.gz HOSPVCCLMKIHCG-BQFCYCMXSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC1CCCC1 ZINC001754401038 1440595192 /nfs/dbraw/zinc/59/51/92/1440595192.db2.gz OKKLICJYFDPROV-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001754407793 1440595991 /nfs/dbraw/zinc/59/59/91/1440595991.db2.gz MKLNOSZHTGVCSG-MOPGFXCFSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001754492427 1440610560 /nfs/dbraw/zinc/61/05/60/1440610560.db2.gz CBNBUNANASYDEC-AEFFLSMTSA-N 2 0 339.483 3.043 20 0 EGADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001754492429 1440610784 /nfs/dbraw/zinc/61/07/84/1440610784.db2.gz CBNBUNANASYDEC-SJLPKXTDSA-N 2 0 339.483 3.043 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CCCC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001754527886 1440621666 /nfs/dbraw/zinc/62/16/66/1440621666.db2.gz UEXCOVCOJSCPNX-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CCCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001754547806 1440628625 /nfs/dbraw/zinc/62/86/25/1440628625.db2.gz RIZXMVAKPYAYCX-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001754556271 1440631695 /nfs/dbraw/zinc/63/16/95/1440631695.db2.gz XZNSSNVLWMFVRT-SFMFPFJOSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001754558341 1440632736 /nfs/dbraw/zinc/63/27/36/1440632736.db2.gz QIQXSMFINNMNNA-FQEVSTJZSA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C/CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001754561614 1440633870 /nfs/dbraw/zinc/63/38/70/1440633870.db2.gz ZQBMWWGZYXFBDH-BQYQJAHWSA-N 2 0 349.563 3.389 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001754586765 1440640052 /nfs/dbraw/zinc/64/00/52/1440640052.db2.gz ZCQNDPPEACGDFO-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001754628832 1440647124 /nfs/dbraw/zinc/64/71/24/1440647124.db2.gz HOXUNGXGPOXDSW-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001754697044 1440667359 /nfs/dbraw/zinc/66/73/59/1440667359.db2.gz JNMJTMKGCPSDIO-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001754700444 1440667918 /nfs/dbraw/zinc/66/79/18/1440667918.db2.gz YJXDPORREUFZRP-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001754703174 1440668318 /nfs/dbraw/zinc/66/83/18/1440668318.db2.gz JVNGRAIKPGUBPC-FPOVZHCZSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754728350 1440677449 /nfs/dbraw/zinc/67/74/49/1440677449.db2.gz UAOAFKKHRLTOIV-TWILZGLNSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001754733724 1440681319 /nfs/dbraw/zinc/68/13/19/1440681319.db2.gz OJGAMBRSFUXVFW-WBWXQYNJSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001754824216 1440693328 /nfs/dbraw/zinc/69/33/28/1440693328.db2.gz NZERLNCHCFSRPG-XLIONFOSSA-N 2 0 345.531 3.236 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001754835346 1440696651 /nfs/dbraw/zinc/69/66/51/1440696651.db2.gz RBGYQSBSBVNTQY-IYARVYRRSA-N 2 0 349.563 3.031 20 0 EGADRP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001754835463 1440696657 /nfs/dbraw/zinc/69/66/57/1440696657.db2.gz GYIIXFOYOLNUAP-GUDVDZBRSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001754867889 1440703514 /nfs/dbraw/zinc/70/35/14/1440703514.db2.gz HKELHKCNUGUGJM-YZPMEYCISA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001754955637 1440716339 /nfs/dbraw/zinc/71/63/39/1440716339.db2.gz LKKFHJIXABDUCY-VMXHOPILSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001754980370 1440721120 /nfs/dbraw/zinc/72/11/20/1440721120.db2.gz AAPVQOQYWZONLH-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CC1CCC(C[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC2)CC1 ZINC001754982169 1440721602 /nfs/dbraw/zinc/72/16/02/1440721602.db2.gz QJXCKUHDXSJHHE-ACBHZAAOSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001755047435 1440742124 /nfs/dbraw/zinc/74/21/24/1440742124.db2.gz NTDQAJQZVCBARG-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001755102467 1440753412 /nfs/dbraw/zinc/75/34/12/1440753412.db2.gz VDHGSDJFRUOKSK-UHFFFAOYSA-N 2 0 343.515 3.006 20 0 EGADRP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755134975 1440757975 /nfs/dbraw/zinc/75/79/75/1440757975.db2.gz BGNBNFXJBQYGOV-MJRGOJFPSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001755255068 1440792966 /nfs/dbraw/zinc/79/29/66/1440792966.db2.gz CPQPKKABLCTAGF-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001755282432 1440800975 /nfs/dbraw/zinc/80/09/75/1440800975.db2.gz RQEAPYDGYFDEPH-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001755417083 1440849386 /nfs/dbraw/zinc/84/93/86/1440849386.db2.gz YERHDKYZKNKXJC-MJGOQNOKSA-N 2 0 345.531 3.224 20 0 EGADRP C[C@H](CCC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001755490488 1440861409 /nfs/dbraw/zinc/86/14/09/1440861409.db2.gz RCYREOAKGLUXAH-UZLBHIALSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](CCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001755505182 1440863074 /nfs/dbraw/zinc/86/30/74/1440863074.db2.gz HGWHYKSRAUELRS-QGZVFWFLSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001755531013 1440867341 /nfs/dbraw/zinc/86/73/41/1440867341.db2.gz YNDPLQXTEHGBSF-FQEVSTJZSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001755536102 1440869577 /nfs/dbraw/zinc/86/95/77/1440869577.db2.gz HGLZCOTVVBKVSG-MRXNPFEDSA-N 2 0 349.494 3.150 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001755587612 1440880755 /nfs/dbraw/zinc/88/07/55/1440880755.db2.gz HQHPIHAGEWUVJD-PXNSSMCTSA-N 2 0 345.531 3.058 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001755607998 1440886228 /nfs/dbraw/zinc/88/62/28/1440886228.db2.gz YHRKEAKWGQHDKM-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001755607999 1440886285 /nfs/dbraw/zinc/88/62/85/1440886285.db2.gz YHRKEAKWGQHDKM-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001755609529 1440886565 /nfs/dbraw/zinc/88/65/65/1440886565.db2.gz AEDPECXZNULCRJ-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP C[C@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001755667461 1440893632 /nfs/dbraw/zinc/89/36/32/1440893632.db2.gz VBKSCTIRISKBRA-FUHWJXTLSA-N 2 0 349.544 3.093 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001755691978 1440896789 /nfs/dbraw/zinc/89/67/89/1440896789.db2.gz FIJHASOYZITRRL-VQIMIIECSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001755694254 1440897492 /nfs/dbraw/zinc/89/74/92/1440897492.db2.gz VJLFQTKJLBJTAJ-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001755775807 1440917215 /nfs/dbraw/zinc/91/72/15/1440917215.db2.gz RDECSPSLZPKUGS-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001755836067 1440930203 /nfs/dbraw/zinc/93/02/03/1440930203.db2.gz MFOGHCQVWZXYRX-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001755846021 1440933364 /nfs/dbraw/zinc/93/33/64/1440933364.db2.gz JBNFMDZBLGBZDY-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CC(=O)NCC1=CC[NH+](CCC2CCCCC2)CC1)C1CCC1 ZINC001755886968 1440940481 /nfs/dbraw/zinc/94/04/81/1440940481.db2.gz AYSURWWTVDDODX-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825313330 947147667 /nfs/dbraw/zinc/14/76/67/947147667.db2.gz BJONHYQBDNYWEK-OAHLLOKOSA-N 2 0 330.480 3.029 20 0 EGADRP OCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)o1 ZINC000174323362 231177691 /nfs/dbraw/zinc/17/76/91/231177691.db2.gz NIXUCXIDXDRJTB-UHFFFAOYSA-N 2 0 328.456 3.438 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000158517392 529778428 /nfs/dbraw/zinc/77/84/28/529778428.db2.gz AMOLKGBZNPHVKW-HXUWFJFHSA-N 2 0 336.483 3.001 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000177956724 232042210 /nfs/dbraw/zinc/04/22/10/232042210.db2.gz ZEQGULIDURZERE-HUUCEWRRSA-N 2 0 330.476 3.081 20 0 EGADRP Cc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)c(OCC[NH+](C)C)c1 ZINC000184239325 235344332 /nfs/dbraw/zinc/34/43/32/235344332.db2.gz UKKSFHLYTGSLEG-UHFFFAOYSA-N 2 0 347.503 3.173 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCS2 ZINC000187278727 236166430 /nfs/dbraw/zinc/16/64/30/236166430.db2.gz YHQXQZWLUFUGFZ-IBGZPJMESA-N 2 0 347.572 3.456 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[C@H]1C ZINC000354635469 291124976 /nfs/dbraw/zinc/12/49/76/291124976.db2.gz RDRIPLHCTFAFBD-OREBXVKISA-N 2 0 336.520 3.207 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000129301566 223041817 /nfs/dbraw/zinc/04/18/17/223041817.db2.gz LKDZVCHBENTKJL-CJNGLKHVSA-N 2 0 330.394 3.338 20 0 EGADRP C[N@H+](CCO[C@H]1CCCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000193081865 240009765 /nfs/dbraw/zinc/00/97/65/240009765.db2.gz HESSLSOOPBGWND-FQEVSTJZSA-N 2 0 347.503 3.163 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000370495867 242022971 /nfs/dbraw/zinc/02/29/71/242022971.db2.gz GLMQLTMNMNBVQE-UXHICEINSA-N 2 0 334.479 3.446 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000133203059 223396500 /nfs/dbraw/zinc/39/65/00/223396500.db2.gz XNMFWZWGAISODY-KNQAVFIVSA-N 2 0 342.527 3.407 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000236624820 242299389 /nfs/dbraw/zinc/29/93/89/242299389.db2.gz QDTYMZLCCPQTKQ-ICSRJNTNSA-N 2 0 343.515 3.047 20 0 EGADRP COc1ccc(Br)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111237144 220119895 /nfs/dbraw/zinc/11/98/95/220119895.db2.gz QOANUQKKKBPEDD-LLVKDONJSA-N 2 0 327.266 3.017 20 0 EGADRP C[C@@H](CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377620561 169049837 /nfs/dbraw/zinc/04/98/37/169049837.db2.gz FCLVEMRYLJFHPB-GHTZIAJQSA-N 2 0 329.532 3.281 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000377739223 169069944 /nfs/dbraw/zinc/06/99/44/169069944.db2.gz ABHGZFFAPPVITE-RBUKOAKNSA-N 2 0 329.488 3.103 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000090038744 217912147 /nfs/dbraw/zinc/91/21/47/217912147.db2.gz ZJCKKPLDLKIOTB-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP COCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066939 218114743 /nfs/dbraw/zinc/11/47/43/218114743.db2.gz RXBRFVGTLHSCES-WIYYLYMNSA-N 2 0 344.499 3.161 20 0 EGADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1OC(F)F ZINC000092381151 218137712 /nfs/dbraw/zinc/13/77/12/218137712.db2.gz NGCDYCGQEVJKCE-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262054105 284926594 /nfs/dbraw/zinc/92/65/94/284926594.db2.gz ZXSHYFQLJKIVGI-FZKQIMNGSA-N 2 0 347.890 3.087 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@H](C)C1 ZINC000268709361 252159008 /nfs/dbraw/zinc/15/90/08/252159008.db2.gz CVVKAYHIPCQWNK-QUCCMNQESA-N 2 0 334.504 3.182 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2)[C@@H](C)C1 ZINC000268709359 252159778 /nfs/dbraw/zinc/15/97/78/252159778.db2.gz CVVKAYHIPCQWNK-AZUAARDMSA-N 2 0 334.504 3.182 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268815489 252267478 /nfs/dbraw/zinc/26/74/78/252267478.db2.gz MDVSGSIKKKMMGU-HOJAQTOUSA-N 2 0 327.516 3.113 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)[C@H](C)OC)CC1 ZINC000268855418 252302736 /nfs/dbraw/zinc/30/27/36/252302736.db2.gz GRAKASKGIJXYPY-PMPSAXMXSA-N 2 0 337.483 3.042 20 0 EGADRP C[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000166275657 533643298 /nfs/dbraw/zinc/64/32/98/533643298.db2.gz KXEZRBIIHMNXMG-OXQOHEQNSA-N 2 0 345.506 3.047 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237637812 141011569 /nfs/dbraw/zinc/01/15/69/141011569.db2.gz ILENKOHPWXBYAH-PKOBYXMFSA-N 2 0 331.504 3.065 20 0 EGADRP FC(F)(F)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246594381 141017940 /nfs/dbraw/zinc/01/79/40/141017940.db2.gz ZQZINUYHKGCGTQ-KBPBESRZSA-N 2 0 328.378 3.301 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+](CC)C2)cc1 ZINC000338069182 141087075 /nfs/dbraw/zinc/08/70/75/141087075.db2.gz LASFBOVMXDVJEE-LJQANCHMSA-N 2 0 345.531 3.380 20 0 EGADRP c1ccc(CN2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)nc1 ZINC000341261367 141146776 /nfs/dbraw/zinc/14/67/76/141146776.db2.gz CLHFJRYPHHVORG-UHFFFAOYSA-N 2 0 344.547 3.292 20 0 EGADRP CCCCOC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346189879 141176359 /nfs/dbraw/zinc/17/63/59/141176359.db2.gz ADIPRAWZZITPIG-UHFFFAOYSA-N 2 0 328.460 3.357 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000353442748 141296345 /nfs/dbraw/zinc/29/63/45/141296345.db2.gz QPVXZNRGFAAORR-ICXUMSERSA-N 2 0 344.503 3.494 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000186928209 144147079 /nfs/dbraw/zinc/14/70/79/144147079.db2.gz MHXXFMHVXAQITF-CALCHBBNSA-N 2 0 331.504 3.020 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000347034008 144251491 /nfs/dbraw/zinc/25/14/91/144251491.db2.gz BRFCVPGTBLEQIU-INIZCTEOSA-N 2 0 340.515 3.416 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341495181 155323318 /nfs/dbraw/zinc/32/33/18/155323318.db2.gz YFGSDGUAMLQQHD-REPLKXPHSA-N 2 0 345.531 3.122 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000341495180 155323928 /nfs/dbraw/zinc/32/39/28/155323928.db2.gz YFGSDGUAMLQQHD-QZTJIDSGSA-N 2 0 345.531 3.122 20 0 EGADRP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000121151277 152329391 /nfs/dbraw/zinc/32/93/91/152329391.db2.gz CUNRYKLPVLUAFD-SXLOBPIMSA-N 2 0 337.467 3.021 20 0 EGADRP C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)c1cccc(CO)c1 ZINC000121151893 152329453 /nfs/dbraw/zinc/32/94/53/152329453.db2.gz MGLXZHTYGYSKDJ-KRWDZBQOSA-N 2 0 335.451 3.317 20 0 EGADRP COCCC1(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000189221675 153056976 /nfs/dbraw/zinc/05/69/76/153056976.db2.gz MADBGEOCEBVXSY-GOSISDBHSA-N 2 0 338.536 3.064 20 0 EGADRP CC[NH+](CC)CCCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000191604192 153210167 /nfs/dbraw/zinc/21/01/67/153210167.db2.gz DLXWJNVBSMGZSN-MRXNPFEDSA-N 2 0 343.309 3.146 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000192919640 153265533 /nfs/dbraw/zinc/26/55/33/153265533.db2.gz HIJZLNSYXPPCOU-LJQANCHMSA-N 2 0 340.467 3.316 20 0 EGADRP [NH3+]CC1(CC(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)CCCCC1 ZINC000261951784 153755985 /nfs/dbraw/zinc/75/59/85/153755985.db2.gz KDWOODZZPDIWQP-QGZVFWFLSA-N 2 0 349.906 3.112 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336693921 154210042 /nfs/dbraw/zinc/21/00/42/154210042.db2.gz IBZNBHLBTWEJPH-PMACEKPBSA-N 2 0 326.488 3.019 20 0 EGADRP COc1ccc2oc([C@@H](C)[NH2+]CCCN3CC[NH+](C)CC3)c(C)c2c1 ZINC000337310764 154276288 /nfs/dbraw/zinc/27/62/88/154276288.db2.gz BIHLHWRHZPLCMV-MRXNPFEDSA-N 2 0 345.487 3.038 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC000339948171 155046860 /nfs/dbraw/zinc/04/68/60/155046860.db2.gz NHLKTLPNPJLOQI-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000349086153 156348710 /nfs/dbraw/zinc/34/87/10/156348710.db2.gz BBYDUOLTOZXZNU-HXUWFJFHSA-N 2 0 343.515 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000349142119 156365654 /nfs/dbraw/zinc/36/56/54/156365654.db2.gz ICGJTNVRMRFXIH-LJQANCHMSA-N 2 0 329.488 3.138 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000365671700 157213930 /nfs/dbraw/zinc/21/39/30/157213930.db2.gz GJDWGUPGIVIZQN-MRXNPFEDSA-N 2 0 345.830 3.135 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000126297495 162298871 /nfs/dbraw/zinc/29/88/71/162298871.db2.gz GVPWIJYWWIOPMY-CYBMUJFWSA-N 2 0 347.894 3.222 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000130981617 162386680 /nfs/dbraw/zinc/38/66/80/162386680.db2.gz JMVVTCOPJMGGKG-UHFFFAOYSA-N 2 0 347.503 3.015 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CCCC(=O)N2Cc3ccccc3C2)CC1 ZINC000180754672 162759990 /nfs/dbraw/zinc/75/99/90/162759990.db2.gz BAONCDQTYGNFSZ-UHFFFAOYSA-N 2 0 343.515 3.162 20 0 EGADRP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C(C)(C)O1 ZINC000248458817 163006170 /nfs/dbraw/zinc/00/61/70/163006170.db2.gz VEEQYGRFUOJDLP-OALUTQOASA-N 2 0 346.515 3.079 20 0 EGADRP CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248462798 163007698 /nfs/dbraw/zinc/00/76/98/163007698.db2.gz QEMLVPMHQPRABV-WMZOPIPTSA-N 2 0 336.520 3.447 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000248826455 163036570 /nfs/dbraw/zinc/03/65/70/163036570.db2.gz GZELTQJUKYRTCJ-IEBWSBKVSA-N 2 0 348.531 3.449 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000248832849 163037637 /nfs/dbraw/zinc/03/76/37/163037637.db2.gz FTEMRRXPYBOORZ-VNTMZGSJSA-N 2 0 328.500 3.302 20 0 EGADRP COc1ccc(OCCC[N@@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)cc1 ZINC000337074970 163122503 /nfs/dbraw/zinc/12/25/03/163122503.db2.gz PSQBGSXEXNVUGJ-GHTZIAJQSA-N 2 0 340.467 3.138 20 0 EGADRP CCC[C@@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000338946384 163399906 /nfs/dbraw/zinc/39/99/06/163399906.db2.gz VCGDPFMSSFKWLY-LJQANCHMSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@@H]1C[C@@H](N(C)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000354400513 166013716 /nfs/dbraw/zinc/01/37/16/166013716.db2.gz PDXRNIUNPRGLOA-CTNGQTDRSA-N 2 0 329.532 3.457 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173384736 287035189 /nfs/dbraw/zinc/03/51/89/287035189.db2.gz JKJZIZRJCMFRLL-LSDHHAIUSA-N 2 0 343.437 3.240 20 0 EGADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(F)c1 ZINC000344080624 164098873 /nfs/dbraw/zinc/09/88/73/164098873.db2.gz ORGCWJWDOKTBEP-SFHVURJKSA-N 2 0 331.435 3.402 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000345771322 164262760 /nfs/dbraw/zinc/26/27/60/164262760.db2.gz GGSPBXOAVDRJHI-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+](CC)CC ZINC000345838861 164276026 /nfs/dbraw/zinc/27/60/26/164276026.db2.gz HQAAHUOLBYMIMY-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000345936673 164299418 /nfs/dbraw/zinc/29/94/18/164299418.db2.gz ZBUWWENBPOPVAU-ROUUACIJSA-N 2 0 343.515 3.227 20 0 EGADRP Cc1nccn1CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000346319338 164368000 /nfs/dbraw/zinc/36/80/00/164368000.db2.gz XDLFYFFDUSREIZ-UHFFFAOYSA-N 2 0 341.434 3.285 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000346355119 164373734 /nfs/dbraw/zinc/37/37/34/164373734.db2.gz HOYCRIMNSPZAAS-UHFFFAOYSA-N 2 0 326.444 3.043 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(Cl)c1OC ZINC000350143735 165010365 /nfs/dbraw/zinc/01/03/65/165010365.db2.gz AKQMGACTLCDLOL-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000350180524 165016890 /nfs/dbraw/zinc/01/68/90/165016890.db2.gz GBGHEPWCWPQJOU-HOCLYGCPSA-N 2 0 326.431 3.459 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354989837 166081651 /nfs/dbraw/zinc/08/16/51/166081651.db2.gz JEBNCIBVRJGFKA-IRXDYDNUSA-N 2 0 329.488 3.136 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C[NH+](C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000350953020 165085799 /nfs/dbraw/zinc/08/57/99/165085799.db2.gz UOYFFVURSZDRHU-MRXNPFEDSA-N 2 0 349.494 3.009 20 0 EGADRP COc1c(O)cccc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355212239 166134854 /nfs/dbraw/zinc/13/48/54/166134854.db2.gz IETMYZBISWYHTP-QGZVFWFLSA-N 2 0 326.440 3.013 20 0 EGADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000355225003 166139816 /nfs/dbraw/zinc/13/98/16/166139816.db2.gz RDNIBDMQLDTFAQ-IEBWSBKVSA-N 2 0 339.483 3.133 20 0 EGADRP Oc1cc(F)cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000355275111 166151370 /nfs/dbraw/zinc/15/13/70/166151370.db2.gz CTSIHYYKWJCOCA-HDICACEKSA-N 2 0 326.415 3.095 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)cc1Cl ZINC000355592236 166253764 /nfs/dbraw/zinc/25/37/64/166253764.db2.gz IBXXBNMSRARNDU-UHFFFAOYSA-N 2 0 329.891 3.185 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2c(C)nn(C)c2C)CC1)CC1CC1 ZINC000355892506 166339959 /nfs/dbraw/zinc/33/99/59/166339959.db2.gz OWYXWUKDBHTSEH-UHFFFAOYSA-N 2 0 332.536 3.371 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357043574 166570776 /nfs/dbraw/zinc/57/07/76/166570776.db2.gz GPJLSKGPVSSDPM-AWEZNQCLSA-N 2 0 346.425 3.176 20 0 EGADRP C[N@H+](CCOc1ccc(Br)cc1)CCC1CC[NH2+]CC1 ZINC000359197724 167093463 /nfs/dbraw/zinc/09/34/63/167093463.db2.gz BHPPODZYCWNRDN-UHFFFAOYSA-N 2 0 341.293 3.149 20 0 EGADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201346 167094093 /nfs/dbraw/zinc/09/40/93/167094093.db2.gz ZZBSLBPOLHRPJS-JOCHJYFZSA-N 3 0 341.543 3.364 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCCCC1 ZINC000359745091 167220909 /nfs/dbraw/zinc/22/09/09/167220909.db2.gz DCHXPHLYFYGALY-UHFFFAOYSA-N 2 0 346.515 3.082 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000366957179 168161195 /nfs/dbraw/zinc/16/11/95/168161195.db2.gz ZMHKDDHGGVXZJN-UHFFFAOYSA-N 2 0 328.460 3.286 20 0 EGADRP CCOC1CC(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000368089340 168309136 /nfs/dbraw/zinc/30/91/36/168309136.db2.gz LEIAPHLYMFBSPJ-RKDVLTNBSA-N 2 0 328.500 3.255 20 0 EGADRP Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163181916 225934480 /nfs/dbraw/zinc/93/44/80/225934480.db2.gz LPXOZRYYTLLPOS-UTKZUKDTSA-N 2 0 342.483 3.320 20 0 EGADRP Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)c1 ZINC000123127204 222219925 /nfs/dbraw/zinc/21/99/25/222219925.db2.gz NOPFFZFHHPAQJC-UHFFFAOYSA-N 2 0 331.504 3.296 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000123721863 222322448 /nfs/dbraw/zinc/32/24/48/222322448.db2.gz FTXRAXHQQXZFQR-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173321710 264974460 /nfs/dbraw/zinc/97/44/60/264974460.db2.gz MCPUXSGLKVOXHF-GJZGRUSLSA-N 2 0 343.437 3.382 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000178739370 265338296 /nfs/dbraw/zinc/33/82/96/265338296.db2.gz DWQYUBVBVYZQLO-GOSISDBHSA-N 2 0 347.547 3.400 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000178855010 265345996 /nfs/dbraw/zinc/34/59/96/265345996.db2.gz OTAXPSSRXYDHNX-RBUKOAKNSA-N 2 0 337.552 3.158 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000178887231 265347506 /nfs/dbraw/zinc/34/75/06/265347506.db2.gz PNSIOEJVJIEIFM-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000179021971 265356837 /nfs/dbraw/zinc/35/68/37/265356837.db2.gz JKLZKMJOWOBZJA-MBOZVWFJSA-N 2 0 346.515 3.032 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000179426280 265377888 /nfs/dbraw/zinc/37/78/88/265377888.db2.gz RMWMNPGKCWVGLV-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000180119389 265395257 /nfs/dbraw/zinc/39/52/57/265395257.db2.gz PFGWKGQCNDZZDU-QUCCMNQESA-N 2 0 349.588 3.419 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000180109129 265396222 /nfs/dbraw/zinc/39/62/22/265396222.db2.gz HBTLMFDVLMTTLC-HXUWFJFHSA-N 2 0 349.588 3.421 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000186102665 265513228 /nfs/dbraw/zinc/51/32/28/265513228.db2.gz HUYHPVQZHJXEBC-FQEVSTJZSA-N 2 0 329.532 3.296 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000193500322 266038949 /nfs/dbraw/zinc/03/89/49/266038949.db2.gz CIMJYCQMBGUHRS-ZWKOTPCHSA-N 2 0 332.488 3.076 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000272293545 266811278 /nfs/dbraw/zinc/81/12/78/266811278.db2.gz FOSLOBIRZFMOCH-BXWFABGCSA-N 2 0 326.488 3.290 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000273578152 267061949 /nfs/dbraw/zinc/06/19/49/267061949.db2.gz MFJGIBQJOGMSJU-BEFAXECRSA-N 2 0 335.923 3.191 20 0 EGADRP Cc1n[nH]cc1CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274897681 267303354 /nfs/dbraw/zinc/30/33/54/267303354.db2.gz KPLKCKOKJDVBST-OXJNMPFZSA-N 2 0 326.488 3.151 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274928854 267307846 /nfs/dbraw/zinc/30/78/46/267307846.db2.gz QNJYOSUNYDPKPG-XKGZKEIXSA-N 2 0 344.524 3.456 20 0 EGADRP C[C@H]([NH2+]CCCNc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274974819 267313752 /nfs/dbraw/zinc/31/37/52/267313752.db2.gz YLMHNZOONYRMJL-ICSRJNTNSA-N 2 0 338.499 3.384 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275435838 267361656 /nfs/dbraw/zinc/36/16/56/267361656.db2.gz DRFNZUIBHRVSDG-RYFAJOAYSA-N 2 0 342.527 3.365 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc3nccn32)CCN1C(=O)OC(C)(C)C ZINC000278527086 268032470 /nfs/dbraw/zinc/03/24/70/268032470.db2.gz UFEQYOGZINHAEI-GJZGRUSLSA-N 2 0 344.459 3.212 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000044533219 275131735 /nfs/dbraw/zinc/13/17/35/275131735.db2.gz RWSBXSFRIVIDNA-QWHCGFSZSA-N 2 0 341.293 3.450 20 0 EGADRP C[C@@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000092566972 275154593 /nfs/dbraw/zinc/15/45/93/275154593.db2.gz LNUBIILKIUGQKQ-SJLPKXTDSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110822545 275181677 /nfs/dbraw/zinc/18/16/77/275181677.db2.gz FVXGHXSGFXLPSJ-WBMJQRKESA-N 2 0 325.294 3.236 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000110916588 275181818 /nfs/dbraw/zinc/18/18/18/275181818.db2.gz IRUHFCZSWDVTPJ-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000271906087 275240193 /nfs/dbraw/zinc/24/01/93/275240193.db2.gz WRIFTZUFYFZQLU-UHFFFAOYSA-N 2 0 333.907 3.156 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000279029619 275297266 /nfs/dbraw/zinc/29/72/66/275297266.db2.gz PLDXTBNERYTUBT-UHFFFAOYSA-N 2 0 326.444 3.140 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000279736219 275354751 /nfs/dbraw/zinc/35/47/51/275354751.db2.gz ODSIRJVUEVFFSM-QCFAMHMHSA-N 2 0 348.531 3.489 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)c1ccccc1 ZINC000279818665 275362704 /nfs/dbraw/zinc/36/27/04/275362704.db2.gz XZXBXYRHDYQDTD-DBXWQHBBSA-N 2 0 338.495 3.466 20 0 EGADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000282557214 275647145 /nfs/dbraw/zinc/64/71/45/275647145.db2.gz DDDUSXAQNVBDRI-INIZCTEOSA-N 2 0 349.950 3.419 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCc4c3cnn4C)CC2)CC1 ZINC000090775242 275935896 /nfs/dbraw/zinc/93/58/96/275935896.db2.gz MGPWRCQXUXJDHR-TVPLGVNVSA-N 2 0 330.520 3.430 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286001874 275939435 /nfs/dbraw/zinc/93/94/35/275939435.db2.gz ISQVTGZZEVJTCX-HXUWFJFHSA-N 2 0 338.499 3.383 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000286534573 276013344 /nfs/dbraw/zinc/01/33/44/276013344.db2.gz NYANCDKSSQHWNI-MOPGFXCFSA-N 2 0 328.456 3.290 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000286983938 276066677 /nfs/dbraw/zinc/06/66/77/276066677.db2.gz GTHWAKFZFHRDFH-YLJYHZDGSA-N 2 0 343.515 3.227 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000173895280 276074763 /nfs/dbraw/zinc/07/47/63/276074763.db2.gz PJHAGAUCONSULF-CYBMUJFWSA-N 2 0 341.858 3.081 20 0 EGADRP C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000287680711 276146730 /nfs/dbraw/zinc/14/67/30/276146730.db2.gz WFKXUXRXYRZJCS-OYNPSCLESA-N 2 0 330.516 3.428 20 0 EGADRP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000287765631 276155192 /nfs/dbraw/zinc/15/51/92/276155192.db2.gz MODMBGDLVJHYAU-AHRSYUTCSA-N 2 0 348.918 3.192 20 0 EGADRP COC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000287886651 276166837 /nfs/dbraw/zinc/16/68/37/276166837.db2.gz YTFXUXALSLNHAV-HNNXBMFYSA-N 2 0 328.859 3.488 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000155681385 276199315 /nfs/dbraw/zinc/19/93/15/276199315.db2.gz NZUACQRBMUJEEO-IEBWSBKVSA-N 2 0 343.515 3.049 20 0 EGADRP Cc1cccc(C)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288590989 276231645 /nfs/dbraw/zinc/23/16/45/276231645.db2.gz OQVNMZYOCJSIOM-UHFFFAOYSA-N 2 0 327.472 3.319 20 0 EGADRP C[C@@H](O)c1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000289231463 276308363 /nfs/dbraw/zinc/30/83/63/276308363.db2.gz KFXNBPMJSVFKRT-OAHLLOKOSA-N 2 0 345.512 3.198 20 0 EGADRP C[C@H](O)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000289237312 276309154 /nfs/dbraw/zinc/30/91/54/276309154.db2.gz KURYLZKSTJGBRY-HNNXBMFYSA-N 2 0 345.512 3.472 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCSCC2)[C@H](C)C1 ZINC000187210695 276315471 /nfs/dbraw/zinc/31/54/71/276315471.db2.gz OXNASVFSKLZPHF-SOLBZPMBSA-N 2 0 328.566 3.245 20 0 EGADRP Cc1ccncc1CCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000289351786 276326362 /nfs/dbraw/zinc/32/63/62/276326362.db2.gz XMLGCNYBURKUEX-UHFFFAOYSA-N 2 0 327.472 3.053 20 0 EGADRP CCN(CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000354823799 276343863 /nfs/dbraw/zinc/34/38/63/276343863.db2.gz XZRXEXUCUNUQLG-INIZCTEOSA-N 2 0 335.458 3.211 20 0 EGADRP CC[N@H+](Cc1cc(C(=O)OC)co1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289492864 276347434 /nfs/dbraw/zinc/34/74/34/276347434.db2.gz RXMCTMQWSQUOJP-UHFFFAOYSA-N 2 0 330.428 3.150 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358426406 276364688 /nfs/dbraw/zinc/36/46/88/276364688.db2.gz MSMHUCYYTAYQDN-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000360597595 276372675 /nfs/dbraw/zinc/37/26/75/276372675.db2.gz MCPGBGIXBUUHFP-YLJYHZDGSA-N 2 0 346.515 3.063 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000291294747 276622015 /nfs/dbraw/zinc/62/20/15/276622015.db2.gz RZNJCRWMXYDSSU-HXUWFJFHSA-N 2 0 340.467 3.500 20 0 EGADRP CC(C)(C)Oc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000291424806 276641991 /nfs/dbraw/zinc/64/19/91/276641991.db2.gz ILZOEXOKODGXPP-UHFFFAOYSA-N 2 0 340.471 3.413 20 0 EGADRP CN(c1ccccc1C[NH2+]C[C@H]1CCCS1)C1CC[NH+](C)CC1 ZINC000151157739 277003203 /nfs/dbraw/zinc/00/32/03/277003203.db2.gz ISLNIWKWLNCPPB-GOSISDBHSA-N 2 0 333.545 3.202 20 0 EGADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000368950501 277038441 /nfs/dbraw/zinc/03/84/41/277038441.db2.gz MNZFDYPWNKNPQJ-UHFFFAOYSA-N 2 0 330.472 3.392 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000354592674 277722667 /nfs/dbraw/zinc/72/26/67/277722667.db2.gz BRZHFWIRQDSCRA-OALUTQOASA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000358733684 278207786 /nfs/dbraw/zinc/20/77/86/278207786.db2.gz IBVXCABSTUWNCR-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000246821083 278345249 /nfs/dbraw/zinc/34/52/49/278345249.db2.gz BEFKQCSGVJLJBE-MJGOQNOKSA-N 2 0 327.472 3.309 20 0 EGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342756208 278395778 /nfs/dbraw/zinc/39/57/78/278395778.db2.gz SSPVPOQQMHZRPQ-AUUYWEPGSA-N 2 0 336.907 3.352 20 0 EGADRP CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000355508166 278804570 /nfs/dbraw/zinc/80/45/70/278804570.db2.gz UNLBNYPBEWACPU-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000155678038 288102823 /nfs/dbraw/zinc/10/28/23/288102823.db2.gz PSRNMQJBFSSTKM-HLIPFELVSA-N 2 0 329.532 3.142 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000354264076 279141029 /nfs/dbraw/zinc/14/10/29/279141029.db2.gz BYSHLPLMOFCZBH-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccco1 ZINC000354784656 279163705 /nfs/dbraw/zinc/16/37/05/279163705.db2.gz NJGYUQRJRKCOCD-IEBWSBKVSA-N 2 0 349.519 3.289 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000092587396 288153306 /nfs/dbraw/zinc/15/33/06/288153306.db2.gz VUGASHVRXWNJBM-IYBDPMFKSA-N 2 0 348.535 3.028 20 0 EGADRP O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262054110 280303115 /nfs/dbraw/zinc/30/31/15/280303115.db2.gz ZXSHYFQLJKIVGI-SCLBCKFNSA-N 2 0 347.890 3.087 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCC(F)(F)CC1 ZINC000353275898 289939975 /nfs/dbraw/zinc/93/99/75/289939975.db2.gz KTOBVQZWWKYNLE-IAOVAPTHSA-N 2 0 330.463 3.168 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000154920065 298619095 /nfs/dbraw/zinc/61/90/95/298619095.db2.gz GWOQSQDTOZAUKP-OLZOCXBDSA-N 2 0 330.303 3.280 20 0 EGADRP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCCC1 ZINC000064021592 307356285 /nfs/dbraw/zinc/35/62/85/307356285.db2.gz IXZDTSOAGLGRHV-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000090524645 307460135 /nfs/dbraw/zinc/46/01/35/307460135.db2.gz CCCTUIOZPKIHPF-FYMNMJKCSA-N 2 0 332.532 3.169 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000414063635 309058482 /nfs/dbraw/zinc/05/84/82/309058482.db2.gz DZIKODGEOSSFQE-BZSNNMDCSA-N 2 0 333.520 3.369 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CC1(C)C ZINC000414119125 309061957 /nfs/dbraw/zinc/06/19/57/309061957.db2.gz WFKVEXMPIAXMNU-SJORKVTESA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)nc1C ZINC000414169439 309064384 /nfs/dbraw/zinc/06/43/84/309064384.db2.gz RTNAHMCIFMGUHG-QGZVFWFLSA-N 2 0 327.472 3.490 20 0 EGADRP CC(C)c1ccc(CC[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000137554955 307718096 /nfs/dbraw/zinc/71/80/96/307718096.db2.gz BGNNYHJQWCDWNM-UHFFFAOYSA-N 2 0 329.532 3.066 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000414191482 309065845 /nfs/dbraw/zinc/06/58/45/309065845.db2.gz SOCGJOKQQVKRBM-IEBWSBKVSA-N 2 0 326.488 3.314 20 0 EGADRP CC(C)CSCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000154755182 307799961 /nfs/dbraw/zinc/79/99/61/307799961.db2.gz UOMSUATXTXLTNF-UHFFFAOYSA-N 2 0 328.566 3.343 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000155665222 307818342 /nfs/dbraw/zinc/81/83/42/307818342.db2.gz DLGMGAIRUZPYAW-MOPGFXCFSA-N 2 0 347.547 3.398 20 0 EGADRP Cc1occc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414271577 309069852 /nfs/dbraw/zinc/06/98/52/309069852.db2.gz QWUVTCVKNPMZRB-IYBDPMFKSA-N 2 0 328.456 3.487 20 0 EGADRP Cc1occc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000414306133 309071846 /nfs/dbraw/zinc/07/18/46/309071846.db2.gz ZAZGNNQHBYCUED-UHFFFAOYSA-N 2 0 327.472 3.280 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000163544983 307923022 /nfs/dbraw/zinc/92/30/22/307923022.db2.gz NIWNSQJNSBYNES-QGZVFWFLSA-N 2 0 345.531 3.272 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000414380750 309076627 /nfs/dbraw/zinc/07/66/27/309076627.db2.gz JPMVBLOYENFKFJ-UHFFFAOYSA-N 2 0 330.451 3.093 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248390023 308001859 /nfs/dbraw/zinc/00/18/59/308001859.db2.gz TUFHYFJKTZPSSK-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCCO1 ZINC000248410139 308002182 /nfs/dbraw/zinc/00/21/82/308002182.db2.gz GSGQJGBMUOWQDG-IFLJBQAJSA-N 2 0 328.500 3.444 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000248846814 308013024 /nfs/dbraw/zinc/01/30/24/308013024.db2.gz NHUPSOLBPKJTOE-SUMWQHHRSA-N 2 0 326.843 3.274 20 0 EGADRP FC(F)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248889652 308014438 /nfs/dbraw/zinc/01/44/38/308014438.db2.gz AQCAAVUVAKLEGV-KZNAEPCWSA-N 2 0 338.442 3.158 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000249195434 308020981 /nfs/dbraw/zinc/02/09/81/308020981.db2.gz QHUITLFAAJMIOL-NRSPTQNISA-N 2 0 329.532 3.112 20 0 EGADRP CSCc1cnc(CNCc2ccccc2-n2ccnc2)s1 ZINC000293712007 308154938 /nfs/dbraw/zinc/15/49/38/308154938.db2.gz XVQFAQOXAKIKIT-UHFFFAOYSA-N 2 0 330.482 3.482 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293807489 308163671 /nfs/dbraw/zinc/16/36/71/308163671.db2.gz RLBSXRBBGJSZFX-JKSUJKDBSA-N 2 0 343.471 3.168 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CS1 ZINC000414497356 309084675 /nfs/dbraw/zinc/08/46/75/309084675.db2.gz KHELWYRINSYQHS-NVXWUHKLSA-N 2 0 333.545 3.201 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000414524018 309086223 /nfs/dbraw/zinc/08/62/23/309086223.db2.gz ZAYFOPZTAIYCKP-AOIWGVFYSA-N 2 0 345.531 3.120 20 0 EGADRP CC(C)(C)C1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414524989 309086383 /nfs/dbraw/zinc/08/63/83/309086383.db2.gz LKFMNZNOIWLPRW-UHFFFAOYSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000294864928 308265675 /nfs/dbraw/zinc/26/56/75/308265675.db2.gz UERQCXJIQBRTPW-GFOJFJKKSA-N 2 0 330.516 3.285 20 0 EGADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000295008365 308281048 /nfs/dbraw/zinc/28/10/48/308281048.db2.gz JDUFKDPPFVBOIQ-CRSSMBPESA-N 2 0 328.500 3.038 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295123929 308294313 /nfs/dbraw/zinc/29/43/13/308294313.db2.gz XQKFGMSVCLPTAO-IHWFROFDSA-N 2 0 329.532 3.359 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1 ZINC000295147998 308296936 /nfs/dbraw/zinc/29/69/36/308296936.db2.gz JGUPRKIADIYXSE-TWOQFEAHSA-N 2 0 332.488 3.063 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414550658 309088303 /nfs/dbraw/zinc/08/83/03/309088303.db2.gz DJZZMYYWKLQTHH-KRWDZBQOSA-N 2 0 345.531 3.156 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(F)ncc1F ZINC000295588537 308341089 /nfs/dbraw/zinc/34/10/89/308341089.db2.gz DZRCYDHUINBKCQ-KSSFIOAISA-N 2 0 331.410 3.360 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NCCCC[NH3+])C1CCCCC1 ZINC000414707591 309096421 /nfs/dbraw/zinc/09/64/21/309096421.db2.gz IBBSJZHHZGURGR-UHFFFAOYSA-N 2 0 332.492 3.312 20 0 EGADRP CCOc1cc2c(cc1OCC)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414682060 309095211 /nfs/dbraw/zinc/09/52/11/309095211.db2.gz XNCYUKKIOTZJAW-JKSUJKDBSA-N 2 0 332.488 3.230 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N[C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000414719126 309097412 /nfs/dbraw/zinc/09/74/12/309097412.db2.gz XKOBAIWAZUZJIC-LJQANCHMSA-N 2 0 344.503 3.310 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000297339278 308523822 /nfs/dbraw/zinc/52/38/22/308523822.db2.gz FBGJIJXIKSUXHR-LIRRHRJNSA-N 2 0 343.496 3.404 20 0 EGADRP Clc1cccc(N2CCCC2)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772167 309100022 /nfs/dbraw/zinc/10/00/22/309100022.db2.gz TZTSCDLZNANKRV-IYBDPMFKSA-N 2 0 333.907 3.372 20 0 EGADRP Brc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414775293 309100361 /nfs/dbraw/zinc/10/03/61/309100361.db2.gz GLBHKBMIRKQFBQ-OLZOCXBDSA-N 2 0 329.307 3.332 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC12CCOCC2 ZINC000414788034 309101379 /nfs/dbraw/zinc/10/13/79/309101379.db2.gz MSOXYKICNVAHJX-GOSISDBHSA-N 2 0 344.499 3.195 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414789208 309101561 /nfs/dbraw/zinc/10/15/61/309101561.db2.gz XZLMQOSKSWMKFZ-ROUUACIJSA-N 2 0 332.488 3.053 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2)cs1 ZINC000414804200 309102495 /nfs/dbraw/zinc/10/24/95/309102495.db2.gz OJQGYLZHJOTDLT-QAPCUYQASA-N 2 0 331.485 3.248 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000414807402 309102781 /nfs/dbraw/zinc/10/27/81/309102781.db2.gz QYOCWQZJRYSMDL-JSGCOSHPSA-N 2 0 327.266 3.065 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414823472 309103853 /nfs/dbraw/zinc/10/38/53/309103853.db2.gz DJTMELJARLRLNP-LJQANCHMSA-N 2 0 340.467 3.363 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828462 309104111 /nfs/dbraw/zinc/10/41/11/309104111.db2.gz IXQHZLDMNASTMQ-CHWSQXEVSA-N 2 0 343.393 3.012 20 0 EGADRP [NH3+][C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000414829183 309104305 /nfs/dbraw/zinc/10/43/05/309104305.db2.gz KIKYZENOZTVNQY-FNAHDJPLSA-N 2 0 335.495 3.187 20 0 EGADRP Fc1cccc(COc2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)cc2)c1 ZINC000414836198 309104717 /nfs/dbraw/zinc/10/47/17/309104717.db2.gz UMQNYWDJHHIONE-SFHVURJKSA-N 2 0 328.431 3.494 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414838253 309104906 /nfs/dbraw/zinc/10/49/06/309104906.db2.gz LCXMMFLEPWDNQO-MRXNPFEDSA-N 2 0 335.923 3.284 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1C ZINC000302082930 308728637 /nfs/dbraw/zinc/72/86/37/308728637.db2.gz MGOKQNCSIMVYDC-SFHVURJKSA-N 2 0 339.483 3.400 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000303784739 308755155 /nfs/dbraw/zinc/75/51/55/308755155.db2.gz HGFIEDKCQUUIIS-MSOLQXFVSA-N 2 0 345.531 3.497 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000392673962 308902268 /nfs/dbraw/zinc/90/22/68/308902268.db2.gz OBRJHNNVYVFCTG-VQIMIIECSA-N 2 0 331.504 3.052 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413166328 309019155 /nfs/dbraw/zinc/01/91/55/309019155.db2.gz KFEKTOKKVBZZLD-WOJBJXKFSA-N 2 0 341.499 3.029 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000413176812 309019834 /nfs/dbraw/zinc/01/98/34/309019834.db2.gz VGGGFBGMFSZYIL-AWEZNQCLSA-N 2 0 329.444 3.173 20 0 EGADRP [NH3+]C1(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCC1 ZINC000414850016 309105484 /nfs/dbraw/zinc/10/54/84/309105484.db2.gz YTBNMEWSAFTJBO-UHFFFAOYSA-N 2 0 333.495 3.084 20 0 EGADRP CCOc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000414899727 309108255 /nfs/dbraw/zinc/10/82/55/309108255.db2.gz HMPPSHKXVPOJJI-KRWDZBQOSA-N 2 0 328.403 3.166 20 0 EGADRP Cc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@H](C)C[NH3+])cc1 ZINC000414927078 309109572 /nfs/dbraw/zinc/10/95/72/309109572.db2.gz KXGOUJAZWZZGCE-QGZVFWFLSA-N 2 0 334.467 3.344 20 0 EGADRP CC1(C)CCC[NH2+][C@@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414934045 309110034 /nfs/dbraw/zinc/11/00/34/309110034.db2.gz UXJRFNGCDXDOBY-HXUWFJFHSA-N 2 0 347.522 3.200 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414969821 309112233 /nfs/dbraw/zinc/11/22/33/309112233.db2.gz JQIOLTRILITVRI-IBGZPJMESA-N 2 0 325.456 3.138 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000415008284 309113882 /nfs/dbraw/zinc/11/38/82/309113882.db2.gz SFIVKDSPVJKODC-RRFJBIMHSA-N 2 0 337.895 3.473 20 0 EGADRP c1ccc(COc2ccccc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nc1 ZINC000415009373 309114121 /nfs/dbraw/zinc/11/41/21/309114121.db2.gz NYYSHXYVPIAKLQ-VQTJNVASSA-N 2 0 337.467 3.138 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000415009516 309114142 /nfs/dbraw/zinc/11/41/42/309114142.db2.gz UELZDALNERNUBL-SJLPKXTDSA-N 2 0 335.923 3.412 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000415016882 309114522 /nfs/dbraw/zinc/11/45/22/309114522.db2.gz QLYLKYCYKIVSBQ-NSHDSACASA-N 2 0 342.274 3.181 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000415017148 309114547 /nfs/dbraw/zinc/11/45/47/309114547.db2.gz FBUJDGMLLUNCST-CYBMUJFWSA-N 2 0 334.895 3.419 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022772 309114917 /nfs/dbraw/zinc/11/49/17/309114917.db2.gz JLNXDXGKBNUUQK-JOCQHMNTSA-N 2 0 341.293 3.312 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000415026075 309115114 /nfs/dbraw/zinc/11/51/14/309115114.db2.gz RVUJXQHWMHPCTI-HAQNSBGRSA-N 2 0 329.257 3.443 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000415027982 309115189 /nfs/dbraw/zinc/11/51/89/309115189.db2.gz XPJNHCOFHUAIPA-NSHDSACASA-N 2 0 337.265 3.056 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000415029214 309115313 /nfs/dbraw/zinc/11/53/13/309115313.db2.gz ZXGARKMPLZFFAR-INIZCTEOSA-N 2 0 335.455 3.151 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415032844 309115499 /nfs/dbraw/zinc/11/54/99/309115499.db2.gz AZQISBPUSNTBCJ-GJZGRUSLSA-N 2 0 340.414 3.261 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415084158 309119163 /nfs/dbraw/zinc/11/91/63/309119163.db2.gz OGRJBOFJKJOYTH-BZPMIXESSA-N 2 0 343.284 3.497 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cccnc2Oc2cccc(F)c2)CC[NH2+]1 ZINC000415087317 309119352 /nfs/dbraw/zinc/11/93/52/309119352.db2.gz VZCUYLBSGCEDJM-CABCVRRESA-N 2 0 329.419 3.491 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000415118359 309121505 /nfs/dbraw/zinc/12/15/05/309121505.db2.gz DBGGWBLMUVSESK-IRXDYDNUSA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000415121956 309121676 /nfs/dbraw/zinc/12/16/76/309121676.db2.gz IXYKWGJOCRWGFK-WMLDXEAASA-N 2 0 326.843 3.197 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000415127467 309122366 /nfs/dbraw/zinc/12/23/66/309122366.db2.gz IEISRSVDDIKTOF-GGPKGHCWSA-N 2 0 329.532 3.394 20 0 EGADRP C[C@@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415138389 309123224 /nfs/dbraw/zinc/12/32/24/309123224.db2.gz VAXUYRYVPKGYMU-IBGZPJMESA-N 2 0 337.511 3.373 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)ccc21 ZINC000415795833 309144029 /nfs/dbraw/zinc/14/40/29/309144029.db2.gz XOIRKRINSVXRAC-RBUKOAKNSA-N 2 0 344.503 3.265 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000415911057 309147908 /nfs/dbraw/zinc/14/79/08/309147908.db2.gz JBUJBIYTXOYROH-UHFFFAOYSA-N 2 0 346.500 3.063 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000415919912 309148747 /nfs/dbraw/zinc/14/87/47/309148747.db2.gz NSIUONURAFOOKP-UHFFFAOYSA-N 2 0 334.508 3.379 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000415932139 309149598 /nfs/dbraw/zinc/14/95/98/309149598.db2.gz MIQHDBLHHWEWBR-INIZCTEOSA-N 2 0 344.503 3.134 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)CC(C)C ZINC000415934274 309149677 /nfs/dbraw/zinc/14/96/77/309149677.db2.gz RIXONKNPANBFOL-SFHVURJKSA-N 2 0 334.508 3.284 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000415944047 309150523 /nfs/dbraw/zinc/15/05/23/309150523.db2.gz NPEPVKOLEITNDY-UHFFFAOYSA-N 2 0 340.471 3.050 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415966846 309151744 /nfs/dbraw/zinc/15/17/44/309151744.db2.gz ARDHGTMVSDZBIR-OAHLLOKOSA-N 2 0 332.492 3.038 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417710820 309219192 /nfs/dbraw/zinc/21/91/92/309219192.db2.gz XVPFXSATSARSAU-OALUTQOASA-N 2 0 346.519 3.030 20 0 EGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000417801552 309222943 /nfs/dbraw/zinc/22/29/43/309222943.db2.gz UNMRGHJTDNNZBQ-LJQANCHMSA-N 2 0 348.535 3.057 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n(C)n1 ZINC000417874091 309226191 /nfs/dbraw/zinc/22/61/91/309226191.db2.gz OZNOASTXTQLOQV-QGZVFWFLSA-N 2 0 326.488 3.393 20 0 EGADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n(C)n1 ZINC000417897478 309227416 /nfs/dbraw/zinc/22/74/16/309227416.db2.gz QMOWAEQSRIJLFV-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419337872 309264819 /nfs/dbraw/zinc/26/48/19/309264819.db2.gz YMYHHMDNTZWRAJ-ZWKOTPCHSA-N 2 0 337.552 3.122 20 0 EGADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000420325023 309282470 /nfs/dbraw/zinc/28/24/70/309282470.db2.gz VXQNFGLFPOKESW-GFCCVEGCSA-N 2 0 344.286 3.253 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C ZINC000420333170 309282746 /nfs/dbraw/zinc/28/27/46/309282746.db2.gz FDQIPVODHZDVFU-APWZRJJASA-N 2 0 329.488 3.094 20 0 EGADRP c1ccc(-c2noc(CCC[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420333742 309282825 /nfs/dbraw/zinc/28/28/25/309282825.db2.gz FQIUFOAGGZHBFH-SFHVURJKSA-N 2 0 340.471 3.133 20 0 EGADRP Fc1cccc(-c2cnc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)o2)c1 ZINC000420341383 309283256 /nfs/dbraw/zinc/28/32/56/309283256.db2.gz VDHIAGSRWUXOLQ-QGZVFWFLSA-N 2 0 329.419 3.445 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420347016 309283663 /nfs/dbraw/zinc/28/36/63/309283663.db2.gz ZTMNTRXHZBAXPM-RDTXWAMCSA-N 2 0 349.906 3.439 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000420357951 309283811 /nfs/dbraw/zinc/28/38/11/309283811.db2.gz IEZQVTKLBIDXSN-OAHLLOKOSA-N 2 0 348.288 3.475 20 0 EGADRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)nc2c1 ZINC000420363035 309284351 /nfs/dbraw/zinc/28/43/51/309284351.db2.gz OUCBGZDXPZQXLP-QGZVFWFLSA-N 2 0 326.488 3.440 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC[C@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367675 309284483 /nfs/dbraw/zinc/28/44/83/309284483.db2.gz HIQRHSUSFBJAGX-CEMLEFRQSA-N 3 0 341.543 3.363 20 0 EGADRP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCOCC[NH3+])c1 ZINC000420370574 309284735 /nfs/dbraw/zinc/28/47/35/309284735.db2.gz JPRVBXILSXYPTE-NHCUHLMSSA-N 2 0 340.467 3.201 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nc4ccccc4s3)CC2)C1 ZINC000420379999 309285224 /nfs/dbraw/zinc/28/52/24/309285224.db2.gz BHSYHEKEZCNBCB-ZBFHGGJFSA-N 2 0 331.485 3.015 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000420382365 309285630 /nfs/dbraw/zinc/28/56/30/309285630.db2.gz PRPJXWSOCKJXJL-OALUTQOASA-N 2 0 336.907 3.491 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)C1 ZINC000420393689 309286063 /nfs/dbraw/zinc/28/60/63/309286063.db2.gz QPPZLEPXBYHDJU-ZWKOTPCHSA-N 2 0 341.455 3.060 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)CC1 ZINC000421367215 309320915 /nfs/dbraw/zinc/32/09/15/309320915.db2.gz DWEQJGGERBQLOL-YLJYHZDGSA-N 2 0 345.531 3.395 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1ccccc1 ZINC000421879132 309344757 /nfs/dbraw/zinc/34/47/57/309344757.db2.gz OPDRLSYPJIAQFT-ODIFPOPNSA-N 2 0 327.476 3.099 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422701250 309363895 /nfs/dbraw/zinc/36/38/95/309363895.db2.gz CZJMZCOGPPTQAJ-NEPJUHHUSA-N 2 0 326.366 3.107 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@H](C)CCC[NH3+])ccn2)cc1 ZINC000422707415 309364072 /nfs/dbraw/zinc/36/40/72/309364072.db2.gz HHSXIQUTPJNEJL-OAHLLOKOSA-N 2 0 329.444 3.490 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000422721474 309364748 /nfs/dbraw/zinc/36/47/48/309364748.db2.gz NYPYRRKTIGBUMM-KRWDZBQOSA-N 2 0 337.467 3.054 20 0 EGADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726591 309365207 /nfs/dbraw/zinc/36/52/07/309365207.db2.gz FLRWSUOUUIYQJZ-XKQJLSEDSA-N 2 0 341.421 3.010 20 0 EGADRP CCc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422730824 309365578 /nfs/dbraw/zinc/36/55/78/309365578.db2.gz KLWMMURLPKHDJW-NCYKPQTJSA-N 2 0 329.532 3.362 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422746456 309366202 /nfs/dbraw/zinc/36/62/02/309366202.db2.gz WNUOKSYBEKGBQV-OAHLLOKOSA-N 3 0 326.488 3.151 20 0 EGADRP CCC(CC)(CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422758249 309366801 /nfs/dbraw/zinc/36/68/01/309366801.db2.gz IOIUSCGIKJIDRX-ONCXSQPRSA-N 2 0 347.547 3.238 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCCC1 ZINC000422764090 309367113 /nfs/dbraw/zinc/36/71/13/309367113.db2.gz PLVRYHAIQVOWJA-BMGDILEWSA-N 2 0 336.907 3.494 20 0 EGADRP Clc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422766256 309367154 /nfs/dbraw/zinc/36/71/54/309367154.db2.gz LQWYMWFXRRSTQB-OKZBNKHCSA-N 2 0 334.891 3.118 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000422781101 309367959 /nfs/dbraw/zinc/36/79/59/309367959.db2.gz KIUVNMWAKOYBGZ-SJORKVTESA-N 2 0 332.488 3.010 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422787287 309368270 /nfs/dbraw/zinc/36/82/70/309368270.db2.gz UNBONDRTCOUGGQ-WHOFXGATSA-N 2 0 347.286 3.104 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]CC1 ZINC000422790481 309368391 /nfs/dbraw/zinc/36/83/91/309368391.db2.gz CBSBNGULHPSWLC-XWTMOSNGSA-N 2 0 336.520 3.256 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422797794 309368783 /nfs/dbraw/zinc/36/87/83/309368783.db2.gz OMVAZYPCQSTPOK-SLFFLAALSA-N 2 0 330.516 3.491 20 0 EGADRP FC(F)(F)c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422809131 309369568 /nfs/dbraw/zinc/36/95/68/309369568.db2.gz PIPWOMDVUAEJQC-TUAOUCFPSA-N 2 0 333.423 3.215 20 0 EGADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000422823408 309370350 /nfs/dbraw/zinc/37/03/50/309370350.db2.gz LMICNTDFLXLMMY-UPRAQXHNSA-N 2 0 346.496 3.266 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422830029 309370628 /nfs/dbraw/zinc/37/06/28/309370628.db2.gz QORAOTVMBXDJRV-UQCMEYCASA-N 2 0 340.414 3.007 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422828885 309370704 /nfs/dbraw/zinc/37/07/04/309370704.db2.gz UCZADZNJKKYJTO-UWJYYQICSA-N 2 0 329.532 3.332 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1Br ZINC000422839194 309371301 /nfs/dbraw/zinc/37/13/01/309371301.db2.gz PUPOUSLFIPSDCC-NFAWXSAZSA-N 2 0 341.293 3.194 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422858768 309372378 /nfs/dbraw/zinc/37/23/78/309372378.db2.gz JEOGOSBLTNOVJD-QHAWAJNXSA-N 2 0 346.515 3.250 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cc2c(OC)c1 ZINC000422859970 309372399 /nfs/dbraw/zinc/37/23/99/309372399.db2.gz HSFLEFBZWFALBB-KSSFIOAISA-N 2 0 345.487 3.095 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)CCOCC2)cc1 ZINC000422875945 309373251 /nfs/dbraw/zinc/37/32/51/309373251.db2.gz DRWAYYVJXSKSFM-PXNSSMCTSA-N 2 0 346.515 3.111 20 0 EGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422875858 309373288 /nfs/dbraw/zinc/37/32/88/309373288.db2.gz PPOLFCDOODIUFW-JOZSIVFUSA-N 2 0 330.516 3.442 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000422878231 309373399 /nfs/dbraw/zinc/37/33/99/309373399.db2.gz JRCWVJIPVYQWHQ-WFASDCNBSA-N 2 0 325.294 3.444 20 0 EGADRP CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1OC(F)F ZINC000422878670 309373416 /nfs/dbraw/zinc/37/34/16/309373416.db2.gz UBYJHQJBPJQDLB-GXTWGEPZSA-N 2 0 328.403 3.294 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422878683 309373559 /nfs/dbraw/zinc/37/35/59/309373559.db2.gz JPAMLSYJIHDWID-LQWHRVPQSA-N 3 0 329.532 3.396 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422880575 309373623 /nfs/dbraw/zinc/37/36/23/309373623.db2.gz OMGVIIJNMOFXRP-LESCRADOSA-N 2 0 335.923 3.452 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422883044 309373895 /nfs/dbraw/zinc/37/38/95/309373895.db2.gz UDEYGHRJLUWLDT-VAMGGRTRSA-N 2 0 346.490 3.384 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422892344 309374569 /nfs/dbraw/zinc/37/45/69/309374569.db2.gz MVEOYOGRSNHZHW-CQSZACIVSA-N 2 0 329.419 3.295 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cn2)c1 ZINC000422900958 309375136 /nfs/dbraw/zinc/37/51/36/309375136.db2.gz REKKFWWZOVAVGM-QFBILLFUSA-N 2 0 341.455 3.490 20 0 EGADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422902725 309375218 /nfs/dbraw/zinc/37/52/18/309375218.db2.gz VDWABXOAECWGGV-QHAWAJNXSA-N 2 0 346.515 3.155 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422904001 309375376 /nfs/dbraw/zinc/37/53/76/309375376.db2.gz GHTGTWBHYPJESQ-VXKWHMMOSA-N 3 0 343.559 3.438 20 0 EGADRP CCc1nc(CN2CCC(C[NH2+][C@@H](C)CCCC[NH3+])CC2)cs1 ZINC000422910203 309375904 /nfs/dbraw/zinc/37/59/04/309375904.db2.gz HORYDTLFXXLEHE-HNNXBMFYSA-N 2 0 338.565 3.025 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422934634 309377036 /nfs/dbraw/zinc/37/70/36/309377036.db2.gz CSZCPLGKPHBTHK-XLAORIBOSA-N 2 0 330.472 3.419 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422948718 309377709 /nfs/dbraw/zinc/37/77/09/309377709.db2.gz SQQRDNDQAUNSET-UHFFFAOYSA-N 2 0 327.266 3.065 20 0 EGADRP COC(=O)CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422957138 309378094 /nfs/dbraw/zinc/37/80/94/309378094.db2.gz MRXWCMDXCKDJEW-BEFAXECRSA-N 2 0 341.455 3.194 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)Sc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422957627 309378247 /nfs/dbraw/zinc/37/82/47/309378247.db2.gz NSEAWZRLXSMKIL-WDEREUQCSA-N 2 0 329.307 3.127 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422964556 309378782 /nfs/dbraw/zinc/37/87/82/309378782.db2.gz ITQFVGCHMQRFOB-MGPUTAFESA-N 2 0 341.499 3.302 20 0 EGADRP [NH3+]CC1CCC([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC000422974655 309379047 /nfs/dbraw/zinc/37/90/47/309379047.db2.gz RMOFGVLCUORTQK-UHFFFAOYSA-N 2 0 325.456 3.268 20 0 EGADRP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422974249 309379063 /nfs/dbraw/zinc/37/90/63/309379063.db2.gz QQCSBQOKCXRFKT-GBESFXJTSA-N 2 0 329.488 3.413 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422977232 309379355 /nfs/dbraw/zinc/37/93/55/309379355.db2.gz WLIVGDUOXMGJHP-APWZRJJASA-N 2 0 325.456 3.138 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422982234 309379413 /nfs/dbraw/zinc/37/94/13/309379413.db2.gz WFVOIGNESWKGRX-MFMILTCTSA-N 2 0 338.451 3.169 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422986169 309379603 /nfs/dbraw/zinc/37/96/03/309379603.db2.gz GOVDXHMPGHXAEO-HKUYNNGSSA-N 3 0 330.520 3.198 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc2c(c1)COC2 ZINC000422994548 309380030 /nfs/dbraw/zinc/38/00/30/309380030.db2.gz VPZFGWCUHGBTFD-CTNGQTDRSA-N 2 0 336.435 3.062 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000423000555 309380216 /nfs/dbraw/zinc/38/02/16/309380216.db2.gz VMOIRVDGSZEXJW-UFOAXRNESA-N 2 0 344.499 3.184 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423003014 309380314 /nfs/dbraw/zinc/38/03/14/309380314.db2.gz KNKORODQQWWIMV-ZFMNYDKASA-N 2 0 329.532 3.407 20 0 EGADRP CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005145 309380658 /nfs/dbraw/zinc/38/06/58/309380658.db2.gz QWJGWQLKMOGKKQ-PBASOCQRSA-N 3 0 329.532 3.407 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423026294 309381496 /nfs/dbraw/zinc/38/14/96/309381496.db2.gz QANFLZPSWRNQRA-CSMYWGQOSA-N 2 0 325.859 3.307 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423033203 309382018 /nfs/dbraw/zinc/38/20/18/309382018.db2.gz ZEADPOYNSGOWMB-IFIJOSMWSA-N 3 0 327.875 3.189 20 0 EGADRP COC1CCC(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423038207 309382342 /nfs/dbraw/zinc/38/23/42/309382342.db2.gz NZGFQLYEDNCYPV-VMVNJLDWSA-N 2 0 344.499 3.427 20 0 EGADRP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000423046787 309382713 /nfs/dbraw/zinc/38/27/13/309382713.db2.gz FTCPSIDNRAMTQL-WFVVYAPDSA-N 2 0 341.421 3.181 20 0 EGADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccc(F)cc21 ZINC000423044357 309382881 /nfs/dbraw/zinc/38/28/81/309382881.db2.gz AHZQPRZVNSRPMX-OTWHNJEPSA-N 2 0 329.463 3.370 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423064154 309383874 /nfs/dbraw/zinc/38/38/74/309383874.db2.gz QQKCWSYZNXIHKE-YCPHGPKFSA-N 2 0 341.421 3.262 20 0 EGADRP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423077202 309384682 /nfs/dbraw/zinc/38/46/82/309384682.db2.gz LNQUXYFMZRMTGG-OSTWSGHESA-N 2 0 330.516 3.127 20 0 EGADRP C[C@](CO)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423081949 309384924 /nfs/dbraw/zinc/38/49/24/309384924.db2.gz VZIJVWSOTGCGDQ-PLACYPQZSA-N 2 0 330.516 3.128 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)N[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423102799 309386138 /nfs/dbraw/zinc/38/61/38/309386138.db2.gz KOEIXGOOVUTPEY-POAQFYNOSA-N 2 0 333.520 3.198 20 0 EGADRP CC(C)Oc1ccc([C@@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423121819 309386986 /nfs/dbraw/zinc/38/69/86/309386986.db2.gz JCGLVUHCRNCTKJ-PWIZWCRZSA-N 2 0 333.520 3.197 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000423135894 309387753 /nfs/dbraw/zinc/38/77/53/309387753.db2.gz OMVUAVDDYDGONB-PZJWPPBQSA-N 3 0 343.515 3.098 20 0 EGADRP CC[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144360 309388141 /nfs/dbraw/zinc/38/81/41/309388141.db2.gz YRWXSXBGWPIFPE-HBMCJLEFSA-N 2 0 329.532 3.409 20 0 EGADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423153310 309388607 /nfs/dbraw/zinc/38/86/07/309388607.db2.gz NCLOURSLKOISNE-FRTACKCFSA-N 2 0 344.499 3.283 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000423185713 309389554 /nfs/dbraw/zinc/38/95/54/309389554.db2.gz VWXZHLIHBMFDIN-IBGZPJMESA-N 2 0 337.511 3.092 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423188644 309389766 /nfs/dbraw/zinc/38/97/66/309389766.db2.gz LYAGSXOMFZMMHI-BQJUDKOJSA-N 3 0 327.516 3.019 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423205688 309390200 /nfs/dbraw/zinc/39/02/00/309390200.db2.gz FNEXZJIVFHVPOG-SWLSCSKDSA-N 2 0 339.277 3.252 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423211912 309390721 /nfs/dbraw/zinc/39/07/21/309390721.db2.gz HUPNPHPDTQKENT-OOHWJJMZSA-N 2 0 332.492 3.481 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)[C@H]1CCC[NH2+]C1 ZINC000423221159 309391227 /nfs/dbraw/zinc/39/12/27/309391227.db2.gz WLHWNVQBSYBHKG-JZXOWHBKSA-N 2 0 342.487 3.038 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000423255752 309392453 /nfs/dbraw/zinc/39/24/53/309392453.db2.gz ASOKDRMFJDDHFS-SNRMKQJTSA-N 2 0 336.907 3.409 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423268261 309393172 /nfs/dbraw/zinc/39/31/72/309393172.db2.gz FSFZLBFEMYIDKC-ZMSDIMECSA-N 2 0 338.467 3.280 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423266580 309393209 /nfs/dbraw/zinc/39/32/09/309393209.db2.gz DJWNQMTYJUDMQK-ATZDWAIDSA-N 2 0 330.472 3.148 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423279625 309393855 /nfs/dbraw/zinc/39/38/55/309393855.db2.gz RSCHGKPSWQUWQF-VDZJLULYSA-N 2 0 342.487 3.167 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H](NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000423282061 309393894 /nfs/dbraw/zinc/39/38/94/309393894.db2.gz URWRVFFMXFZPDE-UYAOXDASSA-N 2 0 339.568 3.025 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423282833 309394033 /nfs/dbraw/zinc/39/40/33/309394033.db2.gz WMCXBRZZPZHRAI-XIRDDKMYSA-N 2 0 337.305 3.414 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000423310138 309394768 /nfs/dbraw/zinc/39/47/68/309394768.db2.gz MVEXEFFNTYTJRQ-INIZCTEOSA-N 2 0 337.467 3.232 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423314978 309394847 /nfs/dbraw/zinc/39/48/47/309394847.db2.gz XAUZPVYGDBMJBD-IBGZPJMESA-N 2 0 339.483 3.091 20 0 EGADRP COC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423326998 309395378 /nfs/dbraw/zinc/39/53/78/309395378.db2.gz KXTGCIHRRWKCHW-HNNXBMFYSA-N 2 0 330.394 3.372 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000423334791 309395796 /nfs/dbraw/zinc/39/57/96/309395796.db2.gz RFELNRBMUOJCLT-CYBMUJFWSA-N 2 0 347.894 3.269 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000423344925 309396310 /nfs/dbraw/zinc/39/63/10/309396310.db2.gz FNYLOGKXBCSIHY-QFBILLFUSA-N 2 0 329.488 3.042 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423387609 309398101 /nfs/dbraw/zinc/39/81/01/309398101.db2.gz SOXZBLJLSBZNRM-RSRIQPTJSA-N 2 0 327.516 3.017 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423401461 309398735 /nfs/dbraw/zinc/39/87/35/309398735.db2.gz XQHGRJMXGHWVAM-XOKHGSTOSA-N 2 0 341.421 3.051 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(C)c1OC ZINC000423406155 309398881 /nfs/dbraw/zinc/39/88/81/309398881.db2.gz YRFBZCFIGWCXKL-CQSZACIVSA-N 2 0 326.440 3.466 20 0 EGADRP Cc1cc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000423419925 309399653 /nfs/dbraw/zinc/39/96/53/309399653.db2.gz WPDITDSARFYVGA-QFBILLFUSA-N 2 0 347.503 3.028 20 0 EGADRP COCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423478059 309401816 /nfs/dbraw/zinc/40/18/16/309401816.db2.gz SZJZXDXAJWXBCR-PIKOESSRSA-N 2 0 334.479 3.314 20 0 EGADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423486402 309402333 /nfs/dbraw/zinc/40/23/33/309402333.db2.gz SPLNOSDDLJGRIZ-GOEBONIOSA-N 2 0 330.476 3.153 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000423489799 309402616 /nfs/dbraw/zinc/40/26/16/309402616.db2.gz GXCSZTBEFCODPH-RULNRJAQSA-N 2 0 327.241 3.293 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536123 309405496 /nfs/dbraw/zinc/40/54/96/309405496.db2.gz GQQLVXUIEIOWRG-GFCCVEGCSA-N 2 0 341.268 3.419 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423537686 309405688 /nfs/dbraw/zinc/40/56/88/309405688.db2.gz KONNNVWXRWSELL-OAHLLOKOSA-N 2 0 330.476 3.177 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000423551860 309406099 /nfs/dbraw/zinc/40/60/99/309406099.db2.gz ULJBCXSUBHZWHY-IGQOVBAYSA-N 2 0 338.879 3.396 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423736167 309410996 /nfs/dbraw/zinc/41/09/96/309410996.db2.gz CVRYKIFLWVNNRY-YLJYHZDGSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H](C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccc(F)cc1 ZINC000424368586 309440622 /nfs/dbraw/zinc/44/06/22/309440622.db2.gz APSJQPQVKHSYLQ-AWEZNQCLSA-N 2 0 328.435 3.066 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000430538272 309609965 /nfs/dbraw/zinc/60/99/65/309609965.db2.gz BAWIJLRESXJMBT-INIZCTEOSA-N 2 0 339.483 3.488 20 0 EGADRP COc1ccc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430899544 309620381 /nfs/dbraw/zinc/62/03/81/309620381.db2.gz JDYYZBRWPXBRNI-UHFFFAOYSA-N 2 0 339.277 3.033 20 0 EGADRP CCN(C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1cccc2ccccc21 ZINC000430941682 309621588 /nfs/dbraw/zinc/62/15/88/309621588.db2.gz YCFSVRPBSPXFSJ-INIZCTEOSA-N 2 0 339.483 3.252 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000430944731 309621789 /nfs/dbraw/zinc/62/17/89/309621789.db2.gz URGCNEUHKIXFLH-MDZRGWNJSA-N 2 0 331.504 3.092 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431758181 309642063 /nfs/dbraw/zinc/64/20/63/309642063.db2.gz LEOSUPLGLGDBQP-HXUWFJFHSA-N 2 0 339.483 3.057 20 0 EGADRP CC(C)CCN(CCC(C)C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433156391 309680130 /nfs/dbraw/zinc/68/01/30/309680130.db2.gz IXMYXHFJWKYNID-UHFFFAOYSA-N 2 0 325.541 3.111 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(C(C)(C)C)cc1 ZINC000433163207 309680292 /nfs/dbraw/zinc/68/02/92/309680292.db2.gz OLZZXDZWUILAPY-MRXNPFEDSA-N 2 0 345.531 3.365 20 0 EGADRP [NH3+]Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)co1 ZINC000444164031 309914994 /nfs/dbraw/zinc/91/49/94/309914994.db2.gz FHWNIVAEUWKRAT-UHFFFAOYSA-N 2 0 327.428 3.019 20 0 EGADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000447594603 309983656 /nfs/dbraw/zinc/98/36/56/309983656.db2.gz ZYVSYXKYVGKAAH-STQMWFEESA-N 2 0 349.302 3.317 20 0 EGADRP C[C@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552474 310006067 /nfs/dbraw/zinc/00/60/67/310006067.db2.gz ZVQPHDFXUFIEPR-FPOVZHCZSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552475 310006093 /nfs/dbraw/zinc/00/60/93/310006093.db2.gz ZVQPHDFXUFIEPR-PZJWPPBQSA-N 2 0 329.532 3.315 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000449094220 310036713 /nfs/dbraw/zinc/03/67/13/310036713.db2.gz RBGBIQASZPYOMQ-QXAKKESOSA-N 2 0 336.907 3.098 20 0 EGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449105469 310037419 /nfs/dbraw/zinc/03/74/19/310037419.db2.gz ICUSMBHPHHSVAW-ZIFCJYIRSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000449105467 310037470 /nfs/dbraw/zinc/03/74/70/310037470.db2.gz ICUSMBHPHHSVAW-LMMKCTJWSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449109986 310037843 /nfs/dbraw/zinc/03/78/43/310037843.db2.gz ZYCYBJKGPOJKQM-LBPRGKRZSA-N 2 0 336.277 3.427 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449149454 310040496 /nfs/dbraw/zinc/04/04/96/310040496.db2.gz NOSJVLKWCWZBKG-FDYSRKEFSA-N 2 0 338.536 3.083 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cccc3ccoc32)(N2CCCCC2)CC1 ZINC000449167154 310041694 /nfs/dbraw/zinc/04/16/94/310041694.db2.gz IFTNXVWNCFEKBA-UHFFFAOYSA-N 2 0 341.499 3.473 20 0 EGADRP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc2ccccc21 ZINC000449287376 310050372 /nfs/dbraw/zinc/05/03/72/310050372.db2.gz WOXHYEKERRPCET-QGZVFWFLSA-N 2 0 342.483 3.439 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(F)c2)CC1 ZINC000449366188 310056858 /nfs/dbraw/zinc/05/68/58/310056858.db2.gz XYPQZUIRZRFYCD-HBGVWJBISA-N 2 0 348.506 3.362 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449592872 310074346 /nfs/dbraw/zinc/07/43/46/310074346.db2.gz ZDBZBULGJZBXAJ-NBYUQASBSA-N 2 0 344.499 3.218 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449592864 310074414 /nfs/dbraw/zinc/07/44/14/310074414.db2.gz ZDBZBULGJZBXAJ-AFYVEPGGSA-N 2 0 344.499 3.218 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000449799803 310087959 /nfs/dbraw/zinc/08/79/59/310087959.db2.gz AWRIUEVMQASCET-MSOLQXFVSA-N 2 0 349.544 3.264 20 0 EGADRP COCC[C@H]([NH2+]CCn1ccnc1)c1cccc(C(F)(F)F)c1 ZINC000451688476 310192807 /nfs/dbraw/zinc/19/28/07/310192807.db2.gz GJAMETZTXDNLAL-HNNXBMFYSA-N 2 0 327.350 3.269 20 0 EGADRP C[N@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776554 310196748 /nfs/dbraw/zinc/19/67/48/310196748.db2.gz AOPWWNYMRDHHOY-VQTJNVASSA-N 2 0 348.531 3.006 20 0 EGADRP CC(C)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453119219 310259221 /nfs/dbraw/zinc/25/92/21/310259221.db2.gz MBINUWVITYWPCC-XUVXKRRUSA-N 2 0 330.516 3.428 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCC1 ZINC000453142788 310260659 /nfs/dbraw/zinc/26/06/59/310260659.db2.gz KXRKUDRLZRNEOG-LJQANCHMSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000453194785 310263329 /nfs/dbraw/zinc/26/33/29/310263329.db2.gz ICACOMVRXUGNSY-KXBFYZLASA-N 2 0 330.497 3.474 20 0 EGADRP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453274656 310268692 /nfs/dbraw/zinc/26/86/92/310268692.db2.gz KQYAQTVZQNFHRD-CWJKEVGVSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ncc(Br)s1 ZINC000453403819 310275162 /nfs/dbraw/zinc/27/51/62/310275162.db2.gz OZFIOFVUQWECKV-JTQLQIEISA-N 2 0 332.311 3.431 20 0 EGADRP Cc1cnc(CC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000453590088 310283227 /nfs/dbraw/zinc/28/32/27/310283227.db2.gz AJSYOILXCJBSCR-UHFFFAOYSA-N 2 0 326.488 3.075 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000457653514 310465490 /nfs/dbraw/zinc/46/54/90/310465490.db2.gz AWXLJDMQYGCXDP-UHFFFAOYSA-N 2 0 329.488 3.260 20 0 EGADRP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)ccc1OCC[NH+](C)C ZINC000458194287 310490853 /nfs/dbraw/zinc/49/08/53/310490853.db2.gz JYRLUPYXMQCORL-ZACQAIPSSA-N 2 0 347.503 3.135 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458214374 310492026 /nfs/dbraw/zinc/49/20/26/310492026.db2.gz ONJIZNNSJQDDCQ-OAHLLOKOSA-N 2 0 335.492 3.041 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)C[C@H](C)O1 ZINC000486974981 311005247 /nfs/dbraw/zinc/00/52/47/311005247.db2.gz XMDVFVWLLUGCJY-BBWFWOEESA-N 2 0 334.529 3.139 20 0 EGADRP COCCSCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000487919370 311042810 /nfs/dbraw/zinc/04/28/10/311042810.db2.gz PRFUMAPPWQBKDE-QZTJIDSGSA-N 2 0 328.566 3.343 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CS1 ZINC000488419267 311064899 /nfs/dbraw/zinc/06/48/99/311064899.db2.gz ZXUMXUALIJLDMF-PMACEKPBSA-N 2 0 347.572 3.054 20 0 EGADRP C[C@H](C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000494660849 311500683 /nfs/dbraw/zinc/50/06/83/311500683.db2.gz ZDCIDPOYZBEKGR-XUWVNRHRSA-N 2 0 327.513 3.141 20 0 EGADRP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000495601284 311584435 /nfs/dbraw/zinc/58/44/35/311584435.db2.gz DDOUBYMQUKGWEL-AWEZNQCLSA-N 2 0 327.513 3.142 20 0 EGADRP CC(C)[C@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)CCS1 ZINC000509685606 312123357 /nfs/dbraw/zinc/12/33/57/312123357.db2.gz CUAKSURSOGXJFP-HXUWFJFHSA-N 2 0 347.572 3.272 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000510297168 312137642 /nfs/dbraw/zinc/13/76/42/312137642.db2.gz UMQXBOCPHXHBRV-IRXDYDNUSA-N 2 0 339.911 3.226 20 0 EGADRP C[C@H]([NH2+][C@H](CO)CC1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511029750 312153259 /nfs/dbraw/zinc/15/32/59/312153259.db2.gz MKHZSPPBXLGSRP-WMQCIHAUSA-N 2 0 330.516 3.428 20 0 EGADRP CCCOc1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000512562651 312189673 /nfs/dbraw/zinc/18/96/73/312189673.db2.gz ZOZNREJYUFMBPQ-JWTNVVGKSA-N 2 0 332.488 3.411 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOCC4CC4)[C@H]3C2)cc1 ZINC000512643733 312191202 /nfs/dbraw/zinc/19/12/02/312191202.db2.gz XYZYBEKFMRNBRD-PCCBWWKXSA-N 2 0 328.500 3.303 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000512692582 312192865 /nfs/dbraw/zinc/19/28/65/312192865.db2.gz FVXVOBVGAFHPFH-PMACEKPBSA-N 2 0 329.532 3.294 20 0 EGADRP CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513673733 312215236 /nfs/dbraw/zinc/21/52/36/312215236.db2.gz WLMYJJPPBSHBTI-IVAOSVALSA-N 2 0 330.516 3.428 20 0 EGADRP c1cnn(CC[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513677876 312215306 /nfs/dbraw/zinc/21/53/06/312215306.db2.gz DHEWRGHYAUEBGP-HBMCJLEFSA-N 2 0 338.499 3.164 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000514711139 312240360 /nfs/dbraw/zinc/24/03/60/312240360.db2.gz KOQGEDDIIMNHEU-DLBGWFIVSA-N 2 0 345.575 3.303 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000514795362 312246099 /nfs/dbraw/zinc/24/60/99/312246099.db2.gz KWGOBYSGTFTKON-JKSUJKDBSA-N 2 0 330.394 3.059 20 0 EGADRP CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000515188012 312270307 /nfs/dbraw/zinc/27/03/07/312270307.db2.gz JQBRHBNZYUDWEZ-ZIAGYGMSSA-N 2 0 343.393 3.335 20 0 EGADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000516181403 312313375 /nfs/dbraw/zinc/31/33/75/312313375.db2.gz DXKBKQYBLJXUCR-LSDHHAIUSA-N 2 0 341.455 3.163 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000517230849 312370346 /nfs/dbraw/zinc/37/03/46/312370346.db2.gz KFPDVWKWWLZCCS-GHTZIAJQSA-N 2 0 332.532 3.499 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000517444935 312379380 /nfs/dbraw/zinc/37/93/80/312379380.db2.gz DRNILKWSHMLLOE-UYAOXDASSA-N 2 0 345.531 3.230 20 0 EGADRP c1ccc(CC2CC[NH+](CCCC[NH2+]Cc3cnccn3)CC2)cc1 ZINC000517880868 312396533 /nfs/dbraw/zinc/39/65/33/312396533.db2.gz HQSGLLOZZQSHDD-UHFFFAOYSA-N 2 0 338.499 3.301 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Br ZINC000042396321 454009300 /nfs/dbraw/zinc/00/93/00/454009300.db2.gz GLTMCSZBCHWHDI-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C[C@@H](C)O1 ZINC000529525240 313342784 /nfs/dbraw/zinc/34/27/84/313342784.db2.gz FMFQROVEWLCSRK-IAGOWNOFSA-N 2 0 341.499 3.489 20 0 EGADRP Cc1nc(CN2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)[nH]c1C ZINC000529641636 313376523 /nfs/dbraw/zinc/37/65/23/313376523.db2.gz OGLLAWCYANVDJF-LJQANCHMSA-N 2 0 326.488 3.369 20 0 EGADRP CC[C@H](C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000533592301 313924750 /nfs/dbraw/zinc/92/47/50/313924750.db2.gz IMZRJLJEUNSLOW-NZSAHSFTSA-N 2 0 333.520 3.208 20 0 EGADRP COCCOc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000535082012 314025094 /nfs/dbraw/zinc/02/50/94/314025094.db2.gz MVOAYHHRVREQIS-UHFFFAOYSA-N 2 0 334.504 3.264 20 0 EGADRP CCOc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000535085132 314026097 /nfs/dbraw/zinc/02/60/97/314026097.db2.gz ZQUKVEDTIQBJQG-QZTJIDSGSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000536849583 314149619 /nfs/dbraw/zinc/14/96/19/314149619.db2.gz CRFBPOVLBBBDHV-AKQDLLBKSA-N 2 0 346.490 3.417 20 0 EGADRP C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536878759 314152241 /nfs/dbraw/zinc/15/22/41/314152241.db2.gz VEHYSUGLQBHSNS-OXJNMPFZSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC(=O)Nc3ccccn3)CC2)C1 ZINC000538613725 314258127 /nfs/dbraw/zinc/25/81/27/314258127.db2.gz FXQGIWCCYGXGHT-AEFFLSMTSA-N 2 0 344.503 3.043 20 0 EGADRP COc1ccccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538763100 314273841 /nfs/dbraw/zinc/27/38/41/314273841.db2.gz GFKATCIUNPMGFV-QZTJIDSGSA-N 2 0 346.515 3.407 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)c2ccccc2)CC1 ZINC000538862141 314280661 /nfs/dbraw/zinc/28/06/61/314280661.db2.gz UBVIKFGWSJMVDX-ZLNRFVROSA-N 2 0 349.522 3.368 20 0 EGADRP CCC1CC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000551542134 315157729 /nfs/dbraw/zinc/15/77/29/315157729.db2.gz YOKMMEFFIJLOCU-UHFFFAOYSA-N 2 0 329.532 3.363 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551788333 315168312 /nfs/dbraw/zinc/16/83/12/315168312.db2.gz CTBVZIHLUHNZAK-WOJBJXKFSA-N 2 0 346.515 3.323 20 0 EGADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552046590 315193297 /nfs/dbraw/zinc/19/32/97/315193297.db2.gz LSCQLAXDPHLJCV-XRXFAXGQSA-N 2 0 330.516 3.284 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCCC[NH+](C)C ZINC000552566005 315225065 /nfs/dbraw/zinc/22/50/65/315225065.db2.gz OSTTZUCONIWWNO-UHFFFAOYSA-N 2 0 349.544 3.214 20 0 EGADRP [NH3+]CCC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000563275881 315989257 /nfs/dbraw/zinc/98/92/57/315989257.db2.gz QCGNBOQWZHTLLR-NRFANRHFSA-N 2 0 343.515 3.095 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000563379761 316011270 /nfs/dbraw/zinc/01/12/70/316011270.db2.gz XLJXKCKLSLKYHD-UHFFFAOYSA-N 2 0 329.488 3.261 20 0 EGADRP Cc1ccc(-c2noc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563668515 316052990 /nfs/dbraw/zinc/05/29/90/316052990.db2.gz ADQRSLGXRCPQBN-SJORKVTESA-N 2 0 326.444 3.009 20 0 EGADRP CC[NH+](CC)CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000564552183 316166546 /nfs/dbraw/zinc/16/65/46/316166546.db2.gz DIBXZCBFXDVYHA-PKOBYXMFSA-N 2 0 348.535 3.017 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565226303 316294160 /nfs/dbraw/zinc/29/41/60/316294160.db2.gz JEURKYDMRYMZFD-WXHSDQCUSA-N 2 0 329.257 3.379 20 0 EGADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000567355048 316605317 /nfs/dbraw/zinc/60/53/17/316605317.db2.gz VZEREWXKNFIAFJ-INIZCTEOSA-N 2 0 345.531 3.298 20 0 EGADRP Fc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000567639775 316648068 /nfs/dbraw/zinc/64/80/68/316648068.db2.gz VZLPWLMSCFKWTK-UYAOXDASSA-N 2 0 344.405 3.353 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000569802290 316965770 /nfs/dbraw/zinc/96/57/70/316965770.db2.gz NKBSAFBWSAJOPH-INIZCTEOSA-N 2 0 330.476 3.038 20 0 EGADRP FC1(F)CC(CCNc2ncnc3c2cnn3-c2ccncc2)C1 ZINC000570614815 317080979 /nfs/dbraw/zinc/08/09/79/317080979.db2.gz KYGBAJUFZPWLGF-UHFFFAOYSA-N 2 0 330.342 3.058 20 0 EGADRP C(CC[N@@H+]1CCSC[C@@H]1C1CC1)C[NH+]1CCSC[C@H]1C1CC1 ZINC000571137004 317154907 /nfs/dbraw/zinc/15/49/07/317154907.db2.gz KXJSAKRNVMMNDH-HDICACEKSA-N 2 0 340.602 3.421 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000572026805 317280902 /nfs/dbraw/zinc/28/09/02/317280902.db2.gz CGHFFKDSQDBIGR-TZIWHRDSSA-N 2 0 338.451 3.349 20 0 EGADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000574304358 317584422 /nfs/dbraw/zinc/58/44/22/317584422.db2.gz QYENUMFSEOKLJH-LEWJYISDSA-N 2 0 327.516 3.367 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000574648884 317622491 /nfs/dbraw/zinc/62/24/91/317622491.db2.gz OGAQOOZOQCEQDO-KRWDZBQOSA-N 3 0 333.520 3.010 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000268968381 455749188 /nfs/dbraw/zinc/74/91/88/455749188.db2.gz YDXNTLKVVSSLFZ-ZDUSSCGKSA-N 2 0 341.293 3.290 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352835443 456349089 /nfs/dbraw/zinc/34/90/89/456349089.db2.gz OZEXSQJHEGCFLC-UHFFFAOYSA-N 2 0 349.466 3.130 20 0 EGADRP CC(C)c1ccc(CN(C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000172242650 323274050 /nfs/dbraw/zinc/27/40/50/323274050.db2.gz YONUBJGAXRAVBP-UHFFFAOYSA-N 2 0 345.531 3.231 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000177612199 323342414 /nfs/dbraw/zinc/34/24/14/323342414.db2.gz CVFFFRCHEGJYBE-IBGZPJMESA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000177925100 323347800 /nfs/dbraw/zinc/34/78/00/323347800.db2.gz CVAIWOFGSRIJAD-GOSISDBHSA-N 2 0 327.472 3.138 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178159173 323351992 /nfs/dbraw/zinc/35/19/92/323351992.db2.gz PVGDURYZAAGZMN-NRFANRHFSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(F)c(Cl)c2)C[C@H](C)O1 ZINC000179075467 323367736 /nfs/dbraw/zinc/36/77/36/323367736.db2.gz ZSTZVOHCCLEPRT-OKILXGFUSA-N 2 0 328.859 3.458 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000179460793 323388823 /nfs/dbraw/zinc/38/88/23/323388823.db2.gz LDXOEBOBCSTJIJ-ZNTUOZHHSA-N 2 0 336.479 3.315 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000382028044 324248533 /nfs/dbraw/zinc/24/85/33/324248533.db2.gz BXBYPKGXOSNZFM-HNNXBMFYSA-N 2 0 327.513 3.001 20 0 EGADRP CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000386866179 324270213 /nfs/dbraw/zinc/27/02/13/324270213.db2.gz VFRSSWBEZRQLOY-AZUAARDMSA-N 2 0 343.515 3.017 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(Cl)c1 ZINC000577616973 324837724 /nfs/dbraw/zinc/83/77/24/324837724.db2.gz KYHDIGZIQDYVAP-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000578997647 325048060 /nfs/dbraw/zinc/04/80/60/325048060.db2.gz JATUUIILXAMBOJ-OAHLLOKOSA-N 2 0 337.895 3.236 20 0 EGADRP CC(C)Cc1ncc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000579094746 325061650 /nfs/dbraw/zinc/06/16/50/325061650.db2.gz IULQRAWDWQNILK-WBVHZDCISA-N 2 0 337.533 3.060 20 0 EGADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)n1 ZINC000579237189 325081667 /nfs/dbraw/zinc/08/16/67/325081667.db2.gz YCOYUQALBCGNRA-ZNMIVQPWSA-N 2 0 334.851 3.240 20 0 EGADRP c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000580406060 325245381 /nfs/dbraw/zinc/24/53/81/325245381.db2.gz MEXAYAZUUQYLTJ-OAQYLSRUSA-N 2 0 327.516 3.343 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580769239 325294024 /nfs/dbraw/zinc/29/40/24/325294024.db2.gz IWQBRVGAFZLPTR-ZACQAIPSSA-N 2 0 344.421 3.071 20 0 EGADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581412485 325358870 /nfs/dbraw/zinc/35/88/70/325358870.db2.gz QZBZUDNMSKPGMG-NVXWUHKLSA-N 2 0 347.507 3.060 20 0 EGADRP Cn1c(CN[C@H](C[NH3+])C2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000581479257 325364803 /nfs/dbraw/zinc/36/48/03/325364803.db2.gz MYYOTONSZVZHLG-MRXNPFEDSA-N 2 0 347.894 3.133 20 0 EGADRP Cc1nnsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000581827648 325391910 /nfs/dbraw/zinc/39/19/10/325391910.db2.gz YPHWMHQBKBPTJA-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1OC ZINC000582436279 325441364 /nfs/dbraw/zinc/44/13/64/325441364.db2.gz HTMWIKZPPHUJBJ-BMGDILEWSA-N 2 0 334.504 3.406 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000583439377 325524777 /nfs/dbraw/zinc/52/47/77/325524777.db2.gz NQVKXEPQABEFBV-IBGZPJMESA-N 2 0 325.456 3.475 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[N@@H+]1C ZINC000180677122 455225646 /nfs/dbraw/zinc/22/56/46/455225646.db2.gz VHWDESUEYUTBFL-JKSUJKDBSA-N 2 0 336.907 3.461 20 0 EGADRP O=C(CCC1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237972947 455239621 /nfs/dbraw/zinc/23/96/21/455239621.db2.gz XIDPOSDVUCYJDS-UHFFFAOYSA-N 2 0 329.488 3.391 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173313321 455263899 /nfs/dbraw/zinc/26/38/99/455263899.db2.gz IFFTZYJLIVRNCG-CQSZACIVSA-N 2 0 343.437 3.382 20 0 EGADRP Cc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ncc1Br ZINC000623508665 460589244 /nfs/dbraw/zinc/58/92/44/460589244.db2.gz DBTOPCIRKAPZTI-UHFFFAOYSA-N 2 0 338.293 3.117 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCC2 ZINC000181524765 455348826 /nfs/dbraw/zinc/34/88/26/455348826.db2.gz SMQRQASUOJKXJA-RTBURBONSA-N 2 0 332.488 3.064 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000082063281 453922457 /nfs/dbraw/zinc/92/24/57/453922457.db2.gz WPPQVXWZEBWCFW-JOCHJYFZSA-N 2 0 337.511 3.198 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000075841016 453930249 /nfs/dbraw/zinc/93/02/49/453930249.db2.gz ZGRMKWGVEYVXGK-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP CCC[N@H+](CCOc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000037539234 453937782 /nfs/dbraw/zinc/93/77/82/453937782.db2.gz UALCFGJJPDJUAI-UHFFFAOYSA-N 2 0 341.293 3.292 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C)c1 ZINC000076329439 453989334 /nfs/dbraw/zinc/98/93/34/453989334.db2.gz WDYUZYKZHZSJDB-IBGZPJMESA-N 2 0 346.519 3.183 20 0 EGADRP COc1ccc(Br)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000042427850 454009852 /nfs/dbraw/zinc/00/98/52/454009852.db2.gz ZDGUDNYBIZGKJA-UHFFFAOYSA-N 2 0 327.266 3.019 20 0 EGADRP Cc1cc(C)n(CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000068822653 454057555 /nfs/dbraw/zinc/05/75/55/454057555.db2.gz LYWKRZZQRVPTEJ-UHFFFAOYSA-N 2 0 340.515 3.344 20 0 EGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000182026330 455419213 /nfs/dbraw/zinc/41/92/13/455419213.db2.gz BPECLKVHGCYJAN-ZACQAIPSSA-N 2 0 347.503 3.185 20 0 EGADRP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038789 454265543 /nfs/dbraw/zinc/26/55/43/454265543.db2.gz CQBSZPGBFLLZLB-HNNXBMFYSA-N 2 0 345.512 3.199 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000090121711 454282950 /nfs/dbraw/zinc/28/29/50/454282950.db2.gz LNWXSSXOXWTYHM-OAHLLOKOSA-N 2 0 345.512 3.199 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000120414310 454298619 /nfs/dbraw/zinc/29/86/19/454298619.db2.gz KIXNMWNGANRMIF-SFHVURJKSA-N 2 0 333.520 3.010 20 0 EGADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090523945 454315759 /nfs/dbraw/zinc/31/57/59/454315759.db2.gz ZIMUJHUSPSLXKB-YSSFQJQWSA-N 2 0 332.488 3.114 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCSc3ccccc32)ccn1 ZINC000090936860 454351333 /nfs/dbraw/zinc/35/13/33/454351333.db2.gz LWULEJHHNZIWKU-KRWDZBQOSA-N 2 0 343.496 3.349 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090936913 454351680 /nfs/dbraw/zinc/35/16/80/454351680.db2.gz LJDKFODUJBFBDA-QRWLVFNGSA-N 2 0 325.456 3.045 20 0 EGADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000120828082 454352409 /nfs/dbraw/zinc/35/24/09/454352409.db2.gz RMIQTIAQMAJHOJ-XLIONFOSSA-N 2 0 333.520 3.010 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1 ZINC000072877563 454356088 /nfs/dbraw/zinc/35/60/88/454356088.db2.gz GPDLAPOAYSJUEL-IBGZPJMESA-N 2 0 349.438 3.289 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000120866408 454358097 /nfs/dbraw/zinc/35/80/97/454358097.db2.gz YRZYEJGIBVVSEJ-UONOGXRCSA-N 2 0 327.875 3.013 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120862781 454358283 /nfs/dbraw/zinc/35/82/83/454358283.db2.gz LWBCHMPRACHDIK-NVXWUHKLSA-N 2 0 329.488 3.275 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000062426963 454376814 /nfs/dbraw/zinc/37/68/14/454376814.db2.gz HVJNRCWRVAUYRQ-FQEVSTJZSA-N 2 0 339.483 3.481 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)CN1CC[NH+](C)CC1 ZINC000121055464 454384941 /nfs/dbraw/zinc/38/49/41/454384941.db2.gz DXYDOOXTNYOXID-MSOLQXFVSA-N 2 0 341.499 3.481 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121291836 454416851 /nfs/dbraw/zinc/41/68/51/454416851.db2.gz RNTQPDQFBNISCT-UFYCRDLUSA-N 2 0 344.499 3.064 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C(C)C)cc1 ZINC000091285095 454422744 /nfs/dbraw/zinc/42/27/44/454422744.db2.gz KHQUROSKPYDMEF-FQEVSTJZSA-N 2 0 333.520 3.010 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1)c1ccccc1 ZINC000047978023 454427031 /nfs/dbraw/zinc/42/70/31/454427031.db2.gz XHAVGOMMYLEAEF-UHFFFAOYSA-N 2 0 331.504 3.093 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000047976471 454427412 /nfs/dbraw/zinc/42/74/12/454427412.db2.gz XIMPYYFVCKDYST-UHFFFAOYSA-N 2 0 326.488 3.426 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C(C)C)cc1 ZINC000091367481 454430375 /nfs/dbraw/zinc/43/03/75/454430375.db2.gz XJHUGTBNNVLGNJ-FQEVSTJZSA-N 2 0 333.520 3.008 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121445239 454436400 /nfs/dbraw/zinc/43/64/00/454436400.db2.gz WOLANWJGZATAQM-IAGOWNOFSA-N 2 0 344.503 3.119 20 0 EGADRP C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133646780 454449732 /nfs/dbraw/zinc/44/97/32/454449732.db2.gz LNDYQYAJDAJIDK-PXNSSMCTSA-N 2 0 345.531 3.264 20 0 EGADRP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121743506 454471503 /nfs/dbraw/zinc/47/15/03/454471503.db2.gz KTRLGPBCOFKHBA-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000101653266 454478745 /nfs/dbraw/zinc/47/87/45/454478745.db2.gz BWURXVFNXCHNOT-IRXDYDNUSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564613 454498476 /nfs/dbraw/zinc/49/84/76/454498476.db2.gz PRMVBBVGFXICJF-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)[C@H](O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134148024 454508066 /nfs/dbraw/zinc/50/80/66/454508066.db2.gz JRLKUXHKNBEHCK-OAQYLSRUSA-N 2 0 347.547 3.104 20 0 EGADRP c1cnn(-c2cccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)c1 ZINC000092066184 454512648 /nfs/dbraw/zinc/51/26/48/454512648.db2.gz LXQDOXXOFSXPBX-WIYYLYMNSA-N 2 0 336.483 3.321 20 0 EGADRP COCCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066280 454513221 /nfs/dbraw/zinc/51/32/21/454513221.db2.gz ZQEPRWLBBGKUJU-NQIIRXRSSA-N 2 0 344.499 3.161 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000104857046 454607728 /nfs/dbraw/zinc/60/77/28/454607728.db2.gz QOYNRYJYKCSNSJ-IBGZPJMESA-N 2 0 345.531 3.449 20 0 EGADRP Nc1ccc(-c2cccc(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000634990928 460643269 /nfs/dbraw/zinc/64/32/69/460643269.db2.gz IHXBYOHRSWRYEY-RTWAWAEBSA-N 2 0 336.483 3.437 20 0 EGADRP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123342062 454626450 /nfs/dbraw/zinc/62/64/50/454626450.db2.gz FVBOIJMCHYVXHG-OAHLLOKOSA-N 2 0 335.467 3.207 20 0 EGADRP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123395626 454631524 /nfs/dbraw/zinc/63/15/24/454631524.db2.gz HTRZYDOIWQUQFF-QGZVFWFLSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123556663 454651689 /nfs/dbraw/zinc/65/16/89/454651689.db2.gz KNBGBCLTTAHMSL-HFCFLWKCSA-N 2 0 337.552 3.124 20 0 EGADRP Cn1ccc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)n1 ZINC000635004403 460648333 /nfs/dbraw/zinc/64/83/33/460648333.db2.gz IHYGTYJLLTXFQO-MZMPZRCHSA-N 2 0 332.879 3.270 20 0 EGADRP CN(C)C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000635005543 460648606 /nfs/dbraw/zinc/64/86/06/460648606.db2.gz UWEWNCNXGILGQK-IMRCBTMISA-N 2 0 343.437 3.415 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c(n1)CCCC3)CCCO2 ZINC000152740691 454719647 /nfs/dbraw/zinc/71/96/47/454719647.db2.gz HSHZQIJUPWQGQZ-SFHVURJKSA-N 2 0 341.455 3.274 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000124453124 454735763 /nfs/dbraw/zinc/73/57/63/454735763.db2.gz FYOGPTIWYQHMSG-UHFFFAOYSA-N 2 0 339.483 3.087 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635009651 460651161 /nfs/dbraw/zinc/65/11/61/460651161.db2.gz YSEOIOZWBRRXCD-IIAWOOMASA-N 2 0 337.895 3.473 20 0 EGADRP FC(F)Oc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000635011652 460654159 /nfs/dbraw/zinc/65/41/59/460654159.db2.gz GEBWCDYUSPTUPA-GRYCIOLGSA-N 2 0 330.806 3.419 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000162527184 454781333 /nfs/dbraw/zinc/78/13/33/454781333.db2.gz FRBBYEMPKYYSBN-JKSUJKDBSA-N 2 0 346.544 3.015 20 0 EGADRP Cc1ccc(-c2ccc(C[NH2+]CCN3CCC([NH+](C)C)CC3)o2)cc1 ZINC000176989130 454808834 /nfs/dbraw/zinc/80/88/34/454808834.db2.gz GOUQDJJQAALCTL-UHFFFAOYSA-N 2 0 341.499 3.371 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(F)c1 ZINC000163538004 454853186 /nfs/dbraw/zinc/85/31/86/454853186.db2.gz BQXVJRMCXJLVIG-HNNXBMFYSA-N 2 0 349.494 3.103 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000182241058 455469471 /nfs/dbraw/zinc/46/94/71/455469471.db2.gz XYYMWVKEFTZBSU-IFMALSPDSA-N 2 0 336.479 3.420 20 0 EGADRP CN(C)C(=O)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000165058480 454893368 /nfs/dbraw/zinc/89/33/68/454893368.db2.gz YTLYGAJABSRCGR-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C(C)(C)O1 ZINC000165335768 454899318 /nfs/dbraw/zinc/89/93/18/454899318.db2.gz UPLFMLRPPVKDSB-RTBURBONSA-N 2 0 330.516 3.487 20 0 EGADRP Cc1cc(NCCN(C)c2cc(C)nc(C3CC3)n2)nc(C2CC2)n1 ZINC000127161257 454942123 /nfs/dbraw/zinc/94/21/23/454942123.db2.gz SCYUPPVHQRXTOK-UHFFFAOYSA-N 2 0 338.459 3.187 20 0 EGADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000128018750 455018497 /nfs/dbraw/zinc/01/84/97/455018497.db2.gz WSCGZMRVLHMQJT-IIDMSEBBSA-N 2 0 332.492 3.035 20 0 EGADRP Fc1cc(Br)cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128119786 455027175 /nfs/dbraw/zinc/02/71/75/455027175.db2.gz RPHOUFZAMJVDHD-HUUCEWRRSA-N 2 0 327.241 3.305 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c2ccccc12 ZINC000151815862 455034477 /nfs/dbraw/zinc/03/44/77/455034477.db2.gz WEBORHLIYRHRPO-MRXNPFEDSA-N 2 0 342.483 3.203 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000155769491 455043307 /nfs/dbraw/zinc/04/33/07/455043307.db2.gz LNFMVWJHUIZZCI-BBTUJRGHSA-N 3 0 329.532 3.348 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1OC ZINC000179510990 455054479 /nfs/dbraw/zinc/05/44/79/455054479.db2.gz GXPDFXSKPGWIQE-GOSISDBHSA-N 2 0 343.471 3.272 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccsc1 ZINC000155910495 455060538 /nfs/dbraw/zinc/06/05/38/455060538.db2.gz QOCYHMLVCOXYHD-KRWDZBQOSA-N 2 0 337.533 3.027 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000155915210 455061138 /nfs/dbraw/zinc/06/11/38/455061138.db2.gz CUHYUZCKVFAFFY-UHFFFAOYSA-N 2 0 339.483 3.130 20 0 EGADRP Cc1noc(C)c1CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155969931 455067820 /nfs/dbraw/zinc/06/78/20/455067820.db2.gz RYPFPEPFROHICP-AWEZNQCLSA-N 2 0 331.460 3.125 20 0 EGADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Cl)s1 ZINC000128617801 455072539 /nfs/dbraw/zinc/07/25/39/455072539.db2.gz FRNZQFLSNDPTCF-AWEZNQCLSA-N 2 0 329.941 3.470 20 0 EGADRP Cc1cc(NCCN2CCC([NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000128690254 455077502 /nfs/dbraw/zinc/07/75/02/455077502.db2.gz BWPKZPYMUQVFSO-UHFFFAOYSA-N 3 0 330.451 3.120 20 0 EGADRP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152341805 455104278 /nfs/dbraw/zinc/10/42/78/455104278.db2.gz VVJRQNSIXQMWQF-HXUWFJFHSA-N 2 0 339.483 3.434 20 0 EGADRP CN(CCc1nc(-c2ccc(Cl)cc2)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000152450202 455121169 /nfs/dbraw/zinc/12/11/69/455121169.db2.gz YZTHSQVLPKPMAX-AWEZNQCLSA-N 2 0 348.878 3.206 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000264012886 455182251 /nfs/dbraw/zinc/18/22/51/455182251.db2.gz BYDCGHXGFYWZLX-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000264018457 455184319 /nfs/dbraw/zinc/18/43/19/455184319.db2.gz IJCULJYCJGDWMQ-KRWDZBQOSA-N 2 0 331.504 3.105 20 0 EGADRP Cc1cc(NC(=O)CCCCCC[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000237744625 455213961 /nfs/dbraw/zinc/21/39/61/455213961.db2.gz IOSKRZRQWMJQKR-UHFFFAOYSA-N 2 0 347.503 3.317 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000180646084 455217212 /nfs/dbraw/zinc/21/72/12/455217212.db2.gz ZCMWHGPXSBRKMO-UNMCSNQZSA-N 2 0 336.479 3.420 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183795043 455328560 /nfs/dbraw/zinc/32/85/60/455328560.db2.gz MBVZMWFXZKZROZ-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccn2C)cc1OC ZINC000265647949 455356099 /nfs/dbraw/zinc/35/60/99/455356099.db2.gz MANBYFAJPAGXBU-UHFFFAOYSA-N 2 0 345.487 3.044 20 0 EGADRP COc1cccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000190871928 455394827 /nfs/dbraw/zinc/39/48/27/455394827.db2.gz VOPHTZSHQRLAST-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)CC1 ZINC000190937662 455409007 /nfs/dbraw/zinc/40/90/07/455409007.db2.gz FBTQVORCDZDKKM-HXUWFJFHSA-N 2 0 340.467 3.404 20 0 EGADRP CCC[C@@H](NC(=O)CN1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000246167925 455439466 /nfs/dbraw/zinc/43/94/66/455439466.db2.gz IVRXKROOHIWEJW-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328498 455472093 /nfs/dbraw/zinc/47/20/93/455472093.db2.gz KBRGWBJALUQWQW-QAPCUYQASA-N 2 0 349.906 3.109 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182262020 455475716 /nfs/dbraw/zinc/47/57/16/455475716.db2.gz BCOXCTJOCGGHFI-QAPCUYQASA-N 2 0 336.545 3.263 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)c1ccccc1 ZINC000246387084 455480762 /nfs/dbraw/zinc/48/07/62/455480762.db2.gz ITNZTCMHOKCAFW-UYAOXDASSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1N(C)C ZINC000246468646 455494999 /nfs/dbraw/zinc/49/49/99/455494999.db2.gz QIJJKSVPXKLLCC-ZLGUVYLKSA-N 2 0 345.531 3.171 20 0 EGADRP CCC(CC)(CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000601019985 460678130 /nfs/dbraw/zinc/67/81/30/460678130.db2.gz WRJCQRLZFKYXEM-QGZVFWFLSA-N 2 0 333.520 3.352 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000247204617 455572864 /nfs/dbraw/zinc/57/28/64/455572864.db2.gz WMWPRFNVQSDBDY-XJKSGUPXSA-N 2 0 330.394 3.448 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247205580 455572973 /nfs/dbraw/zinc/57/29/73/455572973.db2.gz WQZDRAABOKAION-ZWKOTPCHSA-N 2 0 333.520 3.010 20 0 EGADRP COCCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247299998 455584852 /nfs/dbraw/zinc/58/48/52/455584852.db2.gz ZQEPRWLBBGKUJU-RXVVDRJESA-N 2 0 344.499 3.161 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CNc2ncnc(N)c2Cl)cc1 ZINC000192279092 455586393 /nfs/dbraw/zinc/58/63/93/455586393.db2.gz YJAGLTFCJVSXCX-UHFFFAOYSA-N 2 0 349.866 3.045 20 0 EGADRP CC(=O)Nc1cccc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185693408 455598863 /nfs/dbraw/zinc/59/88/63/455598863.db2.gz GCZPSMNQYXNVPT-QAPCUYQASA-N 2 0 329.488 3.388 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCCC1 ZINC000247466352 455604948 /nfs/dbraw/zinc/60/49/48/455604948.db2.gz RKHVQIZFDANHGM-VAMGGRTRSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284017171 455624255 /nfs/dbraw/zinc/62/42/55/455624255.db2.gz NMRGIGWOCABKEE-UHFFFAOYSA-N 2 0 348.450 3.037 20 0 EGADRP Cc1ccc(-c2ccc(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)o2)cc1 ZINC000185869702 455638488 /nfs/dbraw/zinc/63/84/88/455638488.db2.gz QDRYUYYETZZGPU-GOSISDBHSA-N 2 0 341.499 3.371 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000185872661 455639819 /nfs/dbraw/zinc/63/98/19/455639819.db2.gz PLOLNIOWNQJJDJ-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP CCc1ccccc1CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000277716034 455643472 /nfs/dbraw/zinc/64/34/72/455643472.db2.gz NAMONEPULKHMIC-UHFFFAOYSA-N 2 0 343.559 3.282 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247890595 455651911 /nfs/dbraw/zinc/65/19/11/455651911.db2.gz FGLJMFGZZARGPQ-DZFGPLHGSA-N 2 0 345.531 3.152 20 0 EGADRP CC(C)[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000247883389 455652660 /nfs/dbraw/zinc/65/26/60/455652660.db2.gz CFBNTYZHCZJEJR-AZUAARDMSA-N 2 0 332.536 3.000 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n(C)n1 ZINC000284218577 455653540 /nfs/dbraw/zinc/65/35/40/455653540.db2.gz HDLBQSKTDJZKTL-CEWLAPEOSA-N 2 0 338.499 3.119 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000247892858 455654091 /nfs/dbraw/zinc/65/40/91/455654091.db2.gz FVRCKKKUKPTYRT-DZFGPLHGSA-N 2 0 347.547 3.398 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192621921 455655798 /nfs/dbraw/zinc/65/57/98/455655798.db2.gz PTRBHJXNHPIRDN-IHWFROFDSA-N 2 0 338.499 3.263 20 0 EGADRP C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000284245461 455657109 /nfs/dbraw/zinc/65/71/09/455657109.db2.gz FXDMGOBHTLAEAR-KRWDZBQOSA-N 2 0 348.450 3.071 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000271490168 455657379 /nfs/dbraw/zinc/65/73/79/455657379.db2.gz KFKLXQAJKUIWOB-YPAWHYETSA-N 2 0 342.527 3.365 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)n1cncn1 ZINC000284297171 455663726 /nfs/dbraw/zinc/66/37/26/455663726.db2.gz YKXVXNJWSWFMRT-QGZVFWFLSA-N 2 0 341.503 3.177 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000284307334 455665437 /nfs/dbraw/zinc/66/54/37/455665437.db2.gz ZBYXXRJNPTZIJQ-INIZCTEOSA-N 2 0 329.492 3.032 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248006792 455669718 /nfs/dbraw/zinc/66/97/18/455669718.db2.gz KXBDFCBNXIZTEK-GQIGUUNPSA-N 2 0 334.479 3.276 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000268442943 455684258 /nfs/dbraw/zinc/68/42/58/455684258.db2.gz DECNYDRTCXQBHN-DFQSSKMNSA-N 2 0 345.531 3.084 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)(C)c1ccccc1 ZINC000271571798 455687983 /nfs/dbraw/zinc/68/79/83/455687983.db2.gz YTWHKVDWEQRDMP-FFZOFVMBSA-N 2 0 330.516 3.320 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc2o1 ZINC000248168108 455692102 /nfs/dbraw/zinc/69/21/02/455692102.db2.gz UEUOXEAMAQNYQZ-DOTOQJQBSA-N 2 0 342.439 3.136 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000271584777 455692658 /nfs/dbraw/zinc/69/26/58/455692658.db2.gz RZCCNRRRLBGNFE-QRFRQXIXSA-N 2 0 334.504 3.481 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186107479 455695842 /nfs/dbraw/zinc/69/58/42/455695842.db2.gz OKXHCVSXSPJISY-QUCCMNQESA-N 2 0 329.532 3.296 20 0 EGADRP Cc1cc(C)c2c(c1)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000192804926 455697204 /nfs/dbraw/zinc/69/72/04/455697204.db2.gz YGBSGOBSIFHROL-UHFFFAOYSA-N 2 0 329.532 3.078 20 0 EGADRP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268982355 455753373 /nfs/dbraw/zinc/75/33/73/455753373.db2.gz HYQPYHIWWAEGNP-ZIAGYGMSSA-N 2 0 348.409 3.245 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(Cl)c1 ZINC000271817145 455772002 /nfs/dbraw/zinc/77/20/02/455772002.db2.gz BSBYXJLRVIGFBS-CQSZACIVSA-N 2 0 335.879 3.217 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000616991597 460689631 /nfs/dbraw/zinc/68/96/31/460689631.db2.gz BSGRQEFIMHSRIX-GOSISDBHSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000269059287 455778824 /nfs/dbraw/zinc/77/88/24/455778824.db2.gz XGSZGVJRUHKPPU-INIZCTEOSA-N 2 0 341.499 3.481 20 0 EGADRP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000194017755 455793041 /nfs/dbraw/zinc/79/30/41/455793041.db2.gz QLBGIGKAOTVPCO-SFHVURJKSA-N 2 0 345.531 3.169 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186569524 455795295 /nfs/dbraw/zinc/79/52/95/455795295.db2.gz SWGAQPCBDHHANL-ROUUACIJSA-N 2 0 333.520 3.152 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000269143381 455797868 /nfs/dbraw/zinc/79/78/68/455797868.db2.gz DBVWNDMXGBRDHF-MRXNPFEDSA-N 2 0 331.504 3.118 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000269226707 455816531 /nfs/dbraw/zinc/81/65/31/455816531.db2.gz UYLACEFOOVZOMK-LPHOPBHVSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCCCCC[NH3+])cc2)C1 ZINC000269244539 455820037 /nfs/dbraw/zinc/82/00/37/455820037.db2.gz DAMFGEMOBCHELQ-KRWDZBQOSA-N 2 0 347.503 3.255 20 0 EGADRP CC(C)n1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272245410 455890317 /nfs/dbraw/zinc/89/03/17/455890317.db2.gz XGEAZMAYPNRVGI-PXNSSMCTSA-N 2 0 326.488 3.464 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279960 455900669 /nfs/dbraw/zinc/90/06/69/455900669.db2.gz CWEYKJRBNRDVHR-OYNPSCLESA-N 2 0 327.516 3.113 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285769247 455912645 /nfs/dbraw/zinc/91/26/45/455912645.db2.gz SRODUHMTVLQJQY-HOTGVXAUSA-N 2 0 345.487 3.180 20 0 EGADRP CO[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000261643598 455919715 /nfs/dbraw/zinc/91/97/15/455919715.db2.gz IPAIXSABVPIEBU-MJGOQNOKSA-N 2 0 326.440 3.417 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CO2 ZINC000296444839 455940276 /nfs/dbraw/zinc/94/02/76/455940276.db2.gz MWCCPMCVFSQAPS-JZXOWHBKSA-N 2 0 344.499 3.241 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187750477 455948121 /nfs/dbraw/zinc/94/81/21/455948121.db2.gz SQNLOAKZNGZMCG-LEWJYISDSA-N 2 0 329.532 3.112 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(CC3(C[NH3+])CCCCC3)n2)cc1 ZINC000261815976 455953847 /nfs/dbraw/zinc/95/38/47/455953847.db2.gz QBYTVCDRDIYHHM-UHFFFAOYSA-N 2 0 328.460 3.250 20 0 EGADRP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)[C@@H]3CCOC[C@@H]23)cc1 ZINC000286059551 455970108 /nfs/dbraw/zinc/97/01/08/455970108.db2.gz RLGKVHBKURRKKB-PCCBWWKXSA-N 2 0 328.500 3.367 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc(OC)c1OC ZINC000272498210 455971474 /nfs/dbraw/zinc/97/14/74/455971474.db2.gz DGRCCXHKNQJHGL-AWEZNQCLSA-N 2 0 336.476 3.095 20 0 EGADRP CC(C)N1CC[NH+](C2CCN(c3ccnc4ccsc43)CC2)CC1 ZINC000270518371 455973743 /nfs/dbraw/zinc/97/37/43/455973743.db2.gz ZIVWGLXGHSHZCV-UHFFFAOYSA-N 2 0 344.528 3.291 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000272511300 455976697 /nfs/dbraw/zinc/97/66/97/455976697.db2.gz GJHKSPZNIVITEO-QHAWAJNXSA-N 3 0 341.543 3.219 20 0 EGADRP COCc1cccc(OCC2(C[N@H+](C)C3CC[NH2+]CC3)CCC2)c1 ZINC000262071845 455993675 /nfs/dbraw/zinc/99/36/75/455993675.db2.gz CKHYVFCOGMCCJG-UHFFFAOYSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000272585640 456004128 /nfs/dbraw/zinc/00/41/28/456004128.db2.gz RDRQRZOZPHPOQM-KRWDZBQOSA-N 3 0 333.520 3.010 20 0 EGADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000272589303 456004885 /nfs/dbraw/zinc/00/48/85/456004885.db2.gz XAGVXBFGHXERQA-VQIMIIECSA-N 2 0 325.456 3.090 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CCC2)c1 ZINC000262173107 456006742 /nfs/dbraw/zinc/00/67/42/456006742.db2.gz VKWCLSDSYHEVSD-SXLOBPIMSA-N 2 0 344.499 3.051 20 0 EGADRP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000272608841 456012329 /nfs/dbraw/zinc/01/23/29/456012329.db2.gz VSVRRUZENPWLBV-PWRODBHTSA-N 2 0 342.527 3.429 20 0 EGADRP CN1CC[C@@H](C[NH2+]C2CCC(O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286349703 456029878 /nfs/dbraw/zinc/02/98/78/456029878.db2.gz ZEQFPAQKXGKDAK-HKLFFYFNSA-N 2 0 340.870 3.365 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2coc(C[NH3+])c2)c1 ZINC000188261632 456031345 /nfs/dbraw/zinc/03/13/45/456031345.db2.gz GENYFEFQHZYNPN-UHFFFAOYSA-N 2 0 343.471 3.290 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C2([NH3+])CCCC2)CCCC1)c1ccccc1 ZINC000262639392 456050024 /nfs/dbraw/zinc/05/00/24/456050024.db2.gz ISTJMEOPWVYZAT-MRXNPFEDSA-N 2 0 329.488 3.038 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000270846344 456051500 /nfs/dbraw/zinc/05/15/00/456051500.db2.gz WUGWVDMZJSXMRD-DZFGPLHGSA-N 2 0 328.500 3.089 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000270842224 456051724 /nfs/dbraw/zinc/05/17/24/456051724.db2.gz VTUIYPCHGYGMOJ-OVQGTLEDSA-N 2 0 328.500 3.231 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000188445988 456065069 /nfs/dbraw/zinc/06/50/69/456065069.db2.gz AQAQGRGYBSRPFJ-UZLBHIALSA-N 2 0 342.458 3.113 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000272848213 456089634 /nfs/dbraw/zinc/08/96/34/456089634.db2.gz ZNGOZPFWCRSPKI-FQEVSTJZSA-N 2 0 335.451 3.024 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263177692 456105562 /nfs/dbraw/zinc/10/55/62/456105562.db2.gz GIRJUPHXWSFRPN-ICSRJNTNSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000263240577 456115253 /nfs/dbraw/zinc/11/52/53/456115253.db2.gz GBDXSICTTUVZCT-AABGKKOBSA-N 2 0 343.515 3.064 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000263317228 456125020 /nfs/dbraw/zinc/12/50/20/456125020.db2.gz ZQYIQYDTPVFDMO-PKOBYXMFSA-N 2 0 347.528 3.082 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000236660570 456164491 /nfs/dbraw/zinc/16/44/91/456164491.db2.gz XGXSOXNQXOPPHV-BRWVUGGUSA-N 2 0 349.544 3.155 20 0 EGADRP CC[NH+](CC)[C@H](CNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000297301236 456179160 /nfs/dbraw/zinc/17/91/60/456179160.db2.gz ADIBAYWNEQKWRD-NRFANRHFSA-N 2 0 329.532 3.156 20 0 EGADRP CC1CCC([NH+]2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000236787591 456183529 /nfs/dbraw/zinc/18/35/29/456183529.db2.gz VQFKFZNXVGJMPC-UUKMXZOPSA-N 2 0 343.515 3.190 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000289949674 456192535 /nfs/dbraw/zinc/19/25/35/456192535.db2.gz MCFIDQVKJPJVHN-VDGAXYAQSA-N 2 0 343.515 3.065 20 0 EGADRP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000289959561 456195594 /nfs/dbraw/zinc/19/55/94/456195594.db2.gz WWAXYAIMPCLZTJ-PBHICJAKSA-N 2 0 330.501 3.032 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236928320 456202723 /nfs/dbraw/zinc/20/27/23/456202723.db2.gz RAQKYNKNYOQEKB-SJLPKXTDSA-N 2 0 331.504 3.493 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1C ZINC000273187376 456206855 /nfs/dbraw/zinc/20/68/55/456206855.db2.gz PDRDWFGULWNZDP-QZTJIDSGSA-N 2 0 334.504 3.200 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000289993333 456208676 /nfs/dbraw/zinc/20/86/76/456208676.db2.gz OWKDVYJXRROIPZ-MOPGFXCFSA-N 2 0 329.488 3.042 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000237024031 456221016 /nfs/dbraw/zinc/22/10/16/456221016.db2.gz YACWLSNJZKHLPS-BQFCYCMXSA-N 2 0 331.504 3.140 20 0 EGADRP C[C@@H](O)c1ncc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290085657 456235555 /nfs/dbraw/zinc/23/55/55/456235555.db2.gz QYMZZZWDQVMYFT-WBVHZDCISA-N 2 0 345.512 3.150 20 0 EGADRP CC(C)Oc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000297555055 456250334 /nfs/dbraw/zinc/25/03/34/456250334.db2.gz ZWZMRGONFYOYBQ-OAQYLSRUSA-N 2 0 345.531 3.293 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)N3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727782 456254551 /nfs/dbraw/zinc/25/45/51/456254551.db2.gz VQJBGDSUCYYFJN-IFXJQAMLSA-N 2 0 344.434 3.321 20 0 EGADRP c1[nH+]cn2cc(C[NH2+][C@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC000297597019 456259544 /nfs/dbraw/zinc/25/95/44/456259544.db2.gz UABWNZJEEBKJGP-BVSLBCMMSA-N 3 0 346.478 3.335 20 0 EGADRP CCn1ccnc1[C@H](C)[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000297598720 456259853 /nfs/dbraw/zinc/25/98/53/456259853.db2.gz HYKFRAAFQXFERB-HNNXBMFYSA-N 2 0 345.491 3.071 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000275691879 456289242 /nfs/dbraw/zinc/28/92/42/456289242.db2.gz KPEVLCWLPYGHMK-FQEVSTJZSA-N 2 0 341.503 3.184 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)c(O)c(OC)c2)c1 ZINC000290342042 456299592 /nfs/dbraw/zinc/29/95/92/456299592.db2.gz LGJCSKYVTILHEI-UHFFFAOYSA-N 2 0 344.455 3.151 20 0 EGADRP Cc1cccc(CN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000275742360 456301943 /nfs/dbraw/zinc/30/19/43/456301943.db2.gz QETQOPWDPQIKGE-LJQANCHMSA-N 2 0 338.499 3.181 20 0 EGADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000340200305 456309559 /nfs/dbraw/zinc/30/95/59/456309559.db2.gz VCNDKHIDIFQULK-ULQDDVLXSA-N 2 0 334.504 3.199 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000290387928 456313730 /nfs/dbraw/zinc/31/37/30/456313730.db2.gz SCGYETIBRZKPON-XGHQBKJUSA-N 2 0 342.483 3.400 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000275814204 456320853 /nfs/dbraw/zinc/32/08/53/456320853.db2.gz FQOGYKSILQMGAR-ICSRJNTNSA-N 2 0 341.503 3.039 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000347715420 456323440 /nfs/dbraw/zinc/32/34/40/456323440.db2.gz FKIXVEINLRECNL-SFHVURJKSA-N 2 0 340.556 3.059 20 0 EGADRP c1ccc(C[N@H+]2CC[C@]3(CCN(CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814498 456330978 /nfs/dbraw/zinc/33/09/78/456330978.db2.gz HAKFNVZCDMJDPB-QFIPXVFZSA-N 2 0 341.543 3.460 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000298067440 456356645 /nfs/dbraw/zinc/35/66/45/456356645.db2.gz KSEPEVUSIHTCIF-UHFFFAOYSA-N 2 0 331.460 3.462 20 0 EGADRP CC(C)c1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000352871882 456378994 /nfs/dbraw/zinc/37/89/94/456378994.db2.gz DAWKBXCKTKCZIO-UHFFFAOYSA-N 2 0 337.533 3.201 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000290651952 456395691 /nfs/dbraw/zinc/39/56/91/456395691.db2.gz QYLFXYYXHVWDNF-OAHLLOKOSA-N 2 0 345.487 3.345 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000276160481 456402795 /nfs/dbraw/zinc/40/27/95/456402795.db2.gz SPIMSSAQEYOQQO-UHFFFAOYSA-N 2 0 348.535 3.012 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccccc2OC)[C@@H](C)C1 ZINC000276191394 456409891 /nfs/dbraw/zinc/40/98/91/456409891.db2.gz IEWVUPDBISYVOW-AZUAARDMSA-N 2 0 348.531 3.354 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccncc1F ZINC000340476602 456483965 /nfs/dbraw/zinc/48/39/65/456483965.db2.gz IAFUFXWSSUUGQK-HNNXBMFYSA-N 2 0 331.435 3.054 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cc[nH]c(=O)c1 ZINC000340446462 456468053 /nfs/dbraw/zinc/46/80/53/456468053.db2.gz MFGQEFHWHHHWSS-LSDHHAIUSA-N 2 0 329.444 3.139 20 0 EGADRP CCOC(CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)OCC ZINC000276497612 456499260 /nfs/dbraw/zinc/49/92/60/456499260.db2.gz IXANCNXRADYIOT-INIZCTEOSA-N 2 0 338.492 3.067 20 0 EGADRP C[C@H](C(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000298613068 456501511 /nfs/dbraw/zinc/50/15/11/456501511.db2.gz OJFQIIMFZZLPFW-HPFXQQBRSA-N 2 0 340.471 3.219 20 0 EGADRP CCOc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1OC ZINC000353219619 456569219 /nfs/dbraw/zinc/56/92/19/456569219.db2.gz BQIQSQPCLVHEPZ-UHFFFAOYSA-N 2 0 338.517 3.011 20 0 EGADRP CCOC1CC(CC[NH2+]Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000353222782 456569652 /nfs/dbraw/zinc/56/96/52/456569652.db2.gz GZGXLSLJEFMVFW-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP CC[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000316768122 456615494 /nfs/dbraw/zinc/61/54/94/456615494.db2.gz DMOSZRNEJHEROQ-SMDDNHRTSA-N 2 0 344.286 3.381 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000343443820 456624428 /nfs/dbraw/zinc/62/44/28/456624428.db2.gz OKYJLKOCFIQGLH-RTBURBONSA-N 2 0 345.531 3.241 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853759 456645638 /nfs/dbraw/zinc/64/56/38/456645638.db2.gz TVKCZIINEGPQMD-RXVVDRJESA-N 2 0 338.499 3.312 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000299367169 456670257 /nfs/dbraw/zinc/67/02/57/456670257.db2.gz KBTCNPKRIOCNPX-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000343541162 456694896 /nfs/dbraw/zinc/69/48/96/456694896.db2.gz RVXILEUTXMOGLC-KXBFYZLASA-N 2 0 329.488 3.492 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000343541159 456695902 /nfs/dbraw/zinc/69/59/02/456695902.db2.gz RVXILEUTXMOGLC-DNVCBOLYSA-N 2 0 329.488 3.492 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000343579650 456720622 /nfs/dbraw/zinc/72/06/22/456720622.db2.gz MDLQLKXZURGZKE-SFHVURJKSA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543245 456746926 /nfs/dbraw/zinc/74/69/26/456746926.db2.gz AZVLUJYRLNUFNF-SJLPKXTDSA-N 2 0 332.488 3.218 20 0 EGADRP CN(CC[N@H+](C)[C@H]1CCc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000343779455 456774044 /nfs/dbraw/zinc/77/40/44/456774044.db2.gz ZNKVPCPMAXGLBW-IBGZPJMESA-N 2 0 335.923 3.285 20 0 EGADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343917251 456782284 /nfs/dbraw/zinc/78/22/84/456782284.db2.gz CUVSHJDVGYXPCN-UIFIKXQLSA-N 2 0 327.516 3.022 20 0 EGADRP c1cc2c(cc1C[NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCC2 ZINC000291903501 456793289 /nfs/dbraw/zinc/79/32/89/456793289.db2.gz JKBLIIPKCCJCID-SFHVURJKSA-N 2 0 328.500 3.156 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000344160211 456802617 /nfs/dbraw/zinc/80/26/17/456802617.db2.gz FOMVPEGQPHHEJK-UHFFFAOYSA-N 2 0 349.485 3.455 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000338434493 456817234 /nfs/dbraw/zinc/81/72/34/456817234.db2.gz CUOBJRCQCPTXTQ-MSOLQXFVSA-N 2 0 343.515 3.275 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](C[C@@H]4CCCOC4)C3)CC2)cc1 ZINC000353642190 456823683 /nfs/dbraw/zinc/82/36/83/456823683.db2.gz GUCPBWFBAZTZMS-FQEVSTJZSA-N 2 0 328.500 3.401 20 0 EGADRP CCCc1nc(C)c(CNc2ncnc3c2cnn3-c2ccncc2)o1 ZINC000292004715 456826647 /nfs/dbraw/zinc/82/66/47/456826647.db2.gz XZCGQWLCQSHPEI-UHFFFAOYSA-N 2 0 349.398 3.072 20 0 EGADRP CSC1(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CC[NH+](C)CC1 ZINC000353657331 456835839 /nfs/dbraw/zinc/83/58/39/456835839.db2.gz JDWKYZPHZPQPBE-AWEZNQCLSA-N 2 0 335.517 3.123 20 0 EGADRP CCO[C@H]1COCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353670940 456844755 /nfs/dbraw/zinc/84/47/55/456844755.db2.gz BRRNKEYHMFJILO-VFUGHAIPSA-N 2 0 346.515 3.213 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000339066169 456925063 /nfs/dbraw/zinc/92/50/63/456925063.db2.gz IGNDBBBQIYTPRD-NHCUHLMSSA-N 3 0 327.516 3.115 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000345156459 456946201 /nfs/dbraw/zinc/94/62/01/456946201.db2.gz KCNPIHMVXMCRAQ-IRXDYDNUSA-N 2 0 331.504 3.016 20 0 EGADRP Cc1sccc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000339181230 456980744 /nfs/dbraw/zinc/98/07/44/456980744.db2.gz HQUFYGNTSZSWHE-UHFFFAOYSA-N 2 0 343.540 3.354 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000354025251 457017647 /nfs/dbraw/zinc/01/76/47/457017647.db2.gz ARNKAKMMCSKMCH-UHFFFAOYSA-N 2 0 336.524 3.030 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC(OC)CC2)[C@H](C)C1 ZINC000359007333 457046766 /nfs/dbraw/zinc/04/67/66/457046766.db2.gz ZTBQBWNYLFRPPP-ADEKHHIBSA-N 2 0 340.552 3.308 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362770814 457086811 /nfs/dbraw/zinc/08/68/11/457086811.db2.gz VEGUKTXZIKDDQI-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CC(C)C[C@H]([NH3+])c1noc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000339399620 457094218 /nfs/dbraw/zinc/09/42/18/457094218.db2.gz YXIVMVZYBDUCKA-KRWDZBQOSA-N 2 0 328.460 3.495 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000342085337 457099499 /nfs/dbraw/zinc/09/94/99/457099499.db2.gz MSBOEWBUSOITRG-APHBMKBZSA-N 2 0 328.378 3.143 20 0 EGADRP Cc1ccncc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000354159753 457099924 /nfs/dbraw/zinc/09/99/24/457099924.db2.gz VVOISVKHIYPFCK-ROUUACIJSA-N 2 0 339.483 3.289 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2)n1 ZINC000339439294 457119339 /nfs/dbraw/zinc/11/93/39/457119339.db2.gz HLNMJLHSXQWADP-NRFANRHFSA-N 2 0 338.499 3.407 20 0 EGADRP COCCSCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000362913189 457153110 /nfs/dbraw/zinc/15/31/10/457153110.db2.gz PUVUYVBXMQGVJY-GOSISDBHSA-N 2 0 328.566 3.200 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCCC(C)C ZINC000346842447 457182756 /nfs/dbraw/zinc/18/27/56/457182756.db2.gz HUZLUQIXBFRRHX-OKZBNKHCSA-N 2 0 332.488 3.289 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(C)o1 ZINC000356878343 457193158 /nfs/dbraw/zinc/19/31/58/457193158.db2.gz SRRPTAHGTJLCMY-SVFBPWRDSA-N 2 0 339.483 3.334 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000356909738 457212480 /nfs/dbraw/zinc/21/24/80/457212480.db2.gz YQLKMAUHEDIFTK-UHFFFAOYSA-N 2 0 335.458 3.113 20 0 EGADRP COc1ccsc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356911665 457213712 /nfs/dbraw/zinc/21/37/12/457213712.db2.gz DYJJZRZWORJXKH-UHFFFAOYSA-N 2 0 338.517 3.081 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000347084499 457222475 /nfs/dbraw/zinc/22/24/75/457222475.db2.gz AQAZBOOBAOMCND-MRXNPFEDSA-N 2 0 340.414 3.261 20 0 EGADRP c1nc(-c2ccncc2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347105071 457230730 /nfs/dbraw/zinc/23/07/30/457230730.db2.gz MRFGDKOECNRTKL-QGZVFWFLSA-N 2 0 328.485 3.169 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC4=CCCOC4)C3)C2)cc1 ZINC000360072294 457238146 /nfs/dbraw/zinc/23/81/46/457238146.db2.gz BGMXUZQWZJBESM-OAQYLSRUSA-N 2 0 326.484 3.321 20 0 EGADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357019180 457279888 /nfs/dbraw/zinc/27/98/88/457279888.db2.gz VVTSSPURVRLOAO-KSZLIROESA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[C@@H]1C[NH+](C/C=C\C[N@@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339812524 457284629 /nfs/dbraw/zinc/28/46/29/457284629.db2.gz KVISGJWIOJPXCO-XHHZUUQWSA-N 2 0 338.536 3.036 20 0 EGADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000342422028 457294637 /nfs/dbraw/zinc/29/46/37/457294637.db2.gz YQKKWCOUNNMENV-IEBWSBKVSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)c1cccc(C[NH+]2CCCC2)c1)C(C)C ZINC000357059366 457302294 /nfs/dbraw/zinc/30/22/94/457302294.db2.gz NVSHFCQFEZUXGP-UHFFFAOYSA-N 2 0 345.531 3.473 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357088318 457315818 /nfs/dbraw/zinc/31/58/18/457315818.db2.gz RPWCTYWTMPZFES-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP c1csc(-c2noc(CCC[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000357091609 457316513 /nfs/dbraw/zinc/31/65/13/457316513.db2.gz SMDAXJHBFBETMF-OAHLLOKOSA-N 2 0 346.500 3.052 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)cc1 ZINC000352016128 457330994 /nfs/dbraw/zinc/33/09/94/457330994.db2.gz VGANKBSYSDJASY-SJORKVTESA-N 2 0 331.504 3.083 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCc2nccn21)c1ccsc1 ZINC000352486736 457407614 /nfs/dbraw/zinc/40/76/14/457407614.db2.gz VITHQDSDNBQLFZ-HOTGVXAUSA-N 2 0 346.500 3.021 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1)C(C)C ZINC000357313405 457439472 /nfs/dbraw/zinc/43/94/72/457439472.db2.gz XEMRKEXZQMYGKI-TXPKVOOTSA-N 2 0 331.504 3.033 20 0 EGADRP Cc1ccccc1CCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000364136898 457493970 /nfs/dbraw/zinc/49/39/70/457493970.db2.gz XJHPMOKDJRBMIZ-OAQYLSRUSA-N 2 0 329.532 3.028 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399103392 457506414 /nfs/dbraw/zinc/50/64/14/457506414.db2.gz WNOATBILOKDZHZ-WBVHZDCISA-N 2 0 339.524 3.237 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000400618101 457518642 /nfs/dbraw/zinc/51/86/42/457518642.db2.gz YONLOHPYWOYNOC-MHTWAQMVSA-N 2 0 328.500 3.303 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)c2ccccc2C1 ZINC000361049062 457541739 /nfs/dbraw/zinc/54/17/39/457541739.db2.gz BEFXRICFOXZHSI-UTKZUKDTSA-N 2 0 343.515 3.334 20 0 EGADRP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000425418431 457544218 /nfs/dbraw/zinc/54/42/18/457544218.db2.gz IPIHUOIXFPJRJT-RTWAWAEBSA-N 2 0 328.500 3.400 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000361077378 457568797 /nfs/dbraw/zinc/56/87/97/457568797.db2.gz AZBPZTNHRJTUEP-VQTJNVASSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000347649916 457574417 /nfs/dbraw/zinc/57/44/17/457574417.db2.gz NDNTXTBCNZFRMM-RTBURBONSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000357594481 457612734 /nfs/dbraw/zinc/61/27/34/457612734.db2.gz FHUWNWQUJZPZCQ-IRXDYDNUSA-N 2 0 331.847 3.024 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCC1 ZINC000356438114 457626074 /nfs/dbraw/zinc/62/60/74/457626074.db2.gz MDMLTJUQNJFAKS-GOSISDBHSA-N 2 0 334.529 3.019 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425935719 457655438 /nfs/dbraw/zinc/65/54/38/457655438.db2.gz FSKUVSBHTNDYEC-JSGCOSHPSA-N 2 0 325.884 3.153 20 0 EGADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000361232262 457658614 /nfs/dbraw/zinc/65/86/14/457658614.db2.gz XWJFZFRNAUQUAY-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000357897559 457726917 /nfs/dbraw/zinc/72/69/17/457726917.db2.gz JBWALWPAGABSLB-QZTJIDSGSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@]1(CO)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361432811 457729895 /nfs/dbraw/zinc/72/98/95/457729895.db2.gz VFBWGMXFSOGJLQ-KKURMSBHSA-N 2 0 328.500 3.323 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CCOCC4CC4)C3)CC2)cc1 ZINC000433074433 457750295 /nfs/dbraw/zinc/75/02/95/457750295.db2.gz DDORRQJHBDJNGU-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP CCn1cccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c1=O ZINC000433088737 457755039 /nfs/dbraw/zinc/75/50/39/457755039.db2.gz MRXCDBNUXSMQOP-APWZRJJASA-N 2 0 331.504 3.001 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000433120935 457761619 /nfs/dbraw/zinc/76/16/19/457761619.db2.gz POLIMXXVWZRCCE-UXHICEINSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127125 457762763 /nfs/dbraw/zinc/76/27/63/457762763.db2.gz RBURIYSKFVQDKY-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457739993 457813035 /nfs/dbraw/zinc/81/30/35/457813035.db2.gz OVAPVGDVJNSRAS-QGZVFWFLSA-N 2 0 340.556 3.061 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000433347962 457816347 /nfs/dbraw/zinc/81/63/47/457816347.db2.gz QVSGCLRWVGMNII-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)OC(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361676810 457819272 /nfs/dbraw/zinc/81/92/72/457819272.db2.gz AUJNJNBZTSZUOP-PMACEKPBSA-N 2 0 344.499 3.315 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000361752483 457834448 /nfs/dbraw/zinc/83/44/48/457834448.db2.gz XHOBMPKBZLOMBF-UHFFFAOYSA-N 2 0 346.519 3.244 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(F)cc1Cl ZINC000371291935 457852056 /nfs/dbraw/zinc/85/20/56/457852056.db2.gz AIDGGCJHDWMZHB-HYVNUMGLSA-N 2 0 326.843 3.163 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000411489084 457900441 /nfs/dbraw/zinc/90/04/41/457900441.db2.gz MFKMPWRPBHIFOM-NRFANRHFSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCO[C@H]1CCCCO1 ZINC000366982855 457916100 /nfs/dbraw/zinc/91/61/00/457916100.db2.gz PKRKDYIQEWRVIW-NRSPTQNISA-N 2 0 346.515 3.420 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328443 457936837 /nfs/dbraw/zinc/93/68/37/457936837.db2.gz LTVLCPZDJJFEQT-ZCLUNYJNSA-N 2 0 346.515 3.242 20 0 EGADRP COc1cccc(C2([NH2+]C3CCN(Cc4ccncc4)CC3)CC2)c1 ZINC000371482009 457954759 /nfs/dbraw/zinc/95/47/59/457954759.db2.gz XNGOTNCBPBOHJW-UHFFFAOYSA-N 2 0 337.467 3.334 20 0 EGADRP C[C@@H]1C[N@H+](CCCN[C@@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599172 457965887 /nfs/dbraw/zinc/96/58/87/457965887.db2.gz UKKIUDMPYZEFCN-SJLPKXTDSA-N 2 0 334.508 3.122 20 0 EGADRP c1ncc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000411749186 457968983 /nfs/dbraw/zinc/96/89/83/457968983.db2.gz UYQRGZBJACCRIY-MSOLQXFVSA-N 2 0 327.497 3.140 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361971284 457986160 /nfs/dbraw/zinc/98/61/60/457986160.db2.gz LFFIZJJRNKAXRW-CWRNSKLLSA-N 2 0 329.488 3.440 20 0 EGADRP COC(=O)c1coc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000375663248 458009804 /nfs/dbraw/zinc/00/98/04/458009804.db2.gz JFAQIVIRZGRFLD-DOTOQJQBSA-N 2 0 342.439 3.239 20 0 EGADRP Cc1nnc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]1 ZINC000412046637 458065551 /nfs/dbraw/zinc/06/55/51/458065551.db2.gz SNLUXFOAPMRTGM-IBGZPJMESA-N 2 0 339.487 3.089 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000428217951 458099119 /nfs/dbraw/zinc/09/91/19/458099119.db2.gz VGAASUQYZGZOTI-WOZUAGRISA-N 2 0 328.500 3.446 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC2(CCCC2)C1)c1ccccc1 ZINC000445848626 458100436 /nfs/dbraw/zinc/10/04/36/458100436.db2.gz HPUOVASVWLULIK-LJQANCHMSA-N 2 0 343.515 3.062 20 0 EGADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000435372829 458121675 /nfs/dbraw/zinc/12/16/75/458121675.db2.gz SRPAAGUJPNXAFP-MJGOQNOKSA-N 2 0 339.483 3.447 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372106116 458196236 /nfs/dbraw/zinc/19/62/36/458196236.db2.gz VPWFWRWKRVLZGV-QAPCUYQASA-N 2 0 337.533 3.156 20 0 EGADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000372330232 458278576 /nfs/dbraw/zinc/27/85/76/458278576.db2.gz FQPRYQYWXLEOEO-CTNGQTDRSA-N 2 0 329.532 3.070 20 0 EGADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000372333682 458280138 /nfs/dbraw/zinc/28/01/38/458280138.db2.gz RXCPUMIKQMCDDW-DENIHFKCSA-N 2 0 343.559 3.343 20 0 EGADRP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000436278571 458281063 /nfs/dbraw/zinc/28/10/63/458281063.db2.gz AVUZHOMQBZFOGT-TVPLGVNVSA-N 2 0 336.520 3.495 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372359295 458289667 /nfs/dbraw/zinc/28/96/67/458289667.db2.gz UQFHIFVMPFXRMR-STZQEDGTSA-N 2 0 338.495 3.090 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000372734853 458328266 /nfs/dbraw/zinc/32/82/66/458328266.db2.gz DDUKXHHGITVFHK-PZJWPPBQSA-N 2 0 333.564 3.469 20 0 EGADRP c1cn(Cc2cccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2)cn1 ZINC000459360006 458343854 /nfs/dbraw/zinc/34/38/54/458343854.db2.gz DAFVDUQJTZVPBB-UHFFFAOYSA-N 2 0 347.466 3.085 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1SC ZINC000459396576 458358053 /nfs/dbraw/zinc/35/80/53/458358053.db2.gz QHMVZKUTQJZWRE-AQNXPRMDSA-N 2 0 348.556 3.397 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459404658 458359983 /nfs/dbraw/zinc/35/99/83/458359983.db2.gz HQUHMRHUAFOODF-UHFFFAOYSA-N 2 0 326.916 3.371 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]C2CC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000448072183 458386677 /nfs/dbraw/zinc/38/66/77/458386677.db2.gz ZMMXGWMOFQAUEO-FQEVSTJZSA-N 2 0 327.516 3.288 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000376825023 458398346 /nfs/dbraw/zinc/39/83/46/458398346.db2.gz ZXJJOHJDKHJMLQ-WJMWBRGCSA-N 2 0 330.516 3.285 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105819 458427334 /nfs/dbraw/zinc/42/73/34/458427334.db2.gz FGDNAVVRQAFSPP-PCCBWWKXSA-N 2 0 341.543 3.361 20 0 EGADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423447124 458434629 /nfs/dbraw/zinc/43/46/29/458434629.db2.gz SZSYKDWJDAGIIX-FBBABVLZSA-N 2 0 336.483 3.227 20 0 EGADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1-n1ccnn1 ZINC000423504789 458444446 /nfs/dbraw/zinc/44/44/46/458444446.db2.gz HCTTXMGOVRKPTL-QFBILLFUSA-N 2 0 335.455 3.398 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423505533 458445694 /nfs/dbraw/zinc/44/56/94/458445694.db2.gz LVPBIZYADOQQSI-YMQHIKHWSA-N 3 0 327.516 3.004 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423505530 458446058 /nfs/dbraw/zinc/44/60/58/458446058.db2.gz LVPBIZYADOQQSI-CRSSMBPESA-N 3 0 327.516 3.004 20 0 EGADRP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CCCC1 ZINC000423510076 458447380 /nfs/dbraw/zinc/44/73/80/458447380.db2.gz RZFKBUCOAFAUPO-NCYKPQTJSA-N 2 0 327.516 3.004 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000423540583 458455096 /nfs/dbraw/zinc/45/50/96/458455096.db2.gz JXXUUSBUVNIAMO-DIECFANBSA-N 2 0 342.405 3.371 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423546586 458456039 /nfs/dbraw/zinc/45/60/39/458456039.db2.gz ZDEDSJDUCHIRKO-YPAWHYETSA-N 3 0 339.527 3.329 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc21 ZINC000423546965 458456463 /nfs/dbraw/zinc/45/64/63/458456463.db2.gz ZTPQVKFLNRVEQZ-MOPGFXCFSA-N 2 0 328.456 3.068 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459722445 458457111 /nfs/dbraw/zinc/45/71/11/458457111.db2.gz BJXKWFKFAPKSDU-QGZVFWFLSA-N 2 0 344.478 3.450 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373309547 458458063 /nfs/dbraw/zinc/45/80/63/458458063.db2.gz GQBIREZDBRQPST-MRXNPFEDSA-N 2 0 336.549 3.214 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1C ZINC000459735810 458462298 /nfs/dbraw/zinc/46/22/98/458462298.db2.gz PSFMKEBBYSOAIP-SJLPKXTDSA-N 2 0 331.504 3.342 20 0 EGADRP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccc2ccccc2c1 ZINC000423612387 458463901 /nfs/dbraw/zinc/46/39/01/458463901.db2.gz OIPBWRHHUQLWEQ-WOJBJXKFSA-N 2 0 339.483 3.254 20 0 EGADRP C[C@@H](CCC[NH3+])NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000423696924 458472644 /nfs/dbraw/zinc/47/26/44/458472644.db2.gz YJBNELWMRRTZGD-KRWDZBQOSA-N 2 0 339.483 3.176 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459780939 458477691 /nfs/dbraw/zinc/47/76/91/458477691.db2.gz LZZFAESXHBPNRH-IRXDYDNUSA-N 2 0 331.504 3.288 20 0 EGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423768128 458481470 /nfs/dbraw/zinc/48/14/70/458481470.db2.gz DXCNVKRFJQTZPQ-MJGOQNOKSA-N 2 0 329.488 3.171 20 0 EGADRP Fc1cc(-c2ccncc2)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430907138 458502648 /nfs/dbraw/zinc/50/26/48/458502648.db2.gz BOMLQHUTSQUUKR-UHFFFAOYSA-N 2 0 325.431 3.463 20 0 EGADRP Cc1nc2ccccc2n1CCCNc1nc2ccc(F)cc2n1C ZINC000431032355 458518664 /nfs/dbraw/zinc/51/86/64/458518664.db2.gz BQIGJUIERZEUSZ-UHFFFAOYSA-N 2 0 337.402 3.295 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431042657 458520607 /nfs/dbraw/zinc/52/06/07/458520607.db2.gz JSWXPUIDHJJNEX-INIZCTEOSA-N 2 0 329.488 3.213 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092620 458530841 /nfs/dbraw/zinc/53/08/41/458530841.db2.gz ACVCXZBWGSLZEL-INIZCTEOSA-N 2 0 333.451 3.240 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)CN(Cc2ccccc2)C1 ZINC000438354953 458569388 /nfs/dbraw/zinc/56/93/88/458569388.db2.gz QQQAHLAFRCHGMT-QIJUGHKUSA-N 2 0 338.495 3.090 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)CC1CCCCC1 ZINC000424144825 458570615 /nfs/dbraw/zinc/57/06/15/458570615.db2.gz MDUJQJZAJLLRNO-OALUTQOASA-N 2 0 335.536 3.009 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424169786 458576657 /nfs/dbraw/zinc/57/66/57/458576657.db2.gz HJFUHNIKMKWFHW-IPMKNSEASA-N 2 0 335.536 3.007 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC[C@H]1CCC[NH+]1C ZINC000469770983 458589114 /nfs/dbraw/zinc/58/91/14/458589114.db2.gz XEWZZUBDDKHHFN-JYRKZWEQSA-N 2 0 329.532 3.217 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000438555713 458597257 /nfs/dbraw/zinc/59/72/57/458597257.db2.gz RMOUWZRERYCFLD-PMACEKPBSA-N 2 0 343.515 3.121 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1)C1CC1 ZINC000438560752 458597696 /nfs/dbraw/zinc/59/76/96/458597696.db2.gz ICOUTWTYZSTKMI-UHFFFAOYSA-N 2 0 343.515 3.227 20 0 EGADRP [NH3+]C[C@H](CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000424275951 458600432 /nfs/dbraw/zinc/60/04/32/458600432.db2.gz BJPJGUISQFHBPI-VQIMIIECSA-N 2 0 347.865 3.168 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(OC[C@@H]3CCCO3)cc1)CC[NH2+]CC2 ZINC000424282676 458602668 /nfs/dbraw/zinc/60/26/68/458602668.db2.gz AACXMPUKEQNHTF-XLIONFOSSA-N 2 0 344.499 3.208 20 0 EGADRP CCC[C@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289002 458605529 /nfs/dbraw/zinc/60/55/29/458605529.db2.gz LEXVTOIGTLSFEH-HKUYNNGSSA-N 2 0 343.515 3.108 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000470002178 458605839 /nfs/dbraw/zinc/60/58/39/458605839.db2.gz DMQLFSJWYXVDGP-UHFFFAOYSA-N 3 0 331.548 3.466 20 0 EGADRP Cc1sc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1C ZINC000424300522 458609482 /nfs/dbraw/zinc/60/94/82/458609482.db2.gz WNIHFEARMRIULF-LBPRGKRZSA-N 2 0 335.517 3.076 20 0 EGADRP [NH3+]C[C@H](CN1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301780 458609517 /nfs/dbraw/zinc/60/95/17/458609517.db2.gz LIDFMSBGXGKTIU-UYAOXDASSA-N 2 0 347.522 3.456 20 0 EGADRP COC(=O)CC1CC([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000424303445 458610373 /nfs/dbraw/zinc/61/03/73/458610373.db2.gz NZJIOQQHSJXAQZ-NBMLLWRISA-N 2 0 344.499 3.074 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431746523 458617079 /nfs/dbraw/zinc/61/70/79/458617079.db2.gz UVPXRJRFYUALGN-AOIWGVFYSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424364663 458626165 /nfs/dbraw/zinc/62/61/65/458626165.db2.gz DVILLXKZZZUKDY-VCTAVGKDSA-N 2 0 329.257 3.379 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000431844081 458633267 /nfs/dbraw/zinc/63/32/67/458633267.db2.gz KTBUCLJNIUFUPG-AZUAARDMSA-N 2 0 343.515 3.014 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424445287 458645041 /nfs/dbraw/zinc/64/50/41/458645041.db2.gz OIRJUBOMIPXRCP-AWEZNQCLSA-N 2 0 332.492 3.086 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000424447612 458646514 /nfs/dbraw/zinc/64/65/14/458646514.db2.gz VWMDXCAGEKHXDR-UHFFFAOYSA-N 2 0 332.492 3.039 20 0 EGADRP CCOc1cc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1OCC ZINC000462868323 458663485 /nfs/dbraw/zinc/66/34/85/458663485.db2.gz AYLUVCZCAYGRTP-GJZGRUSLSA-N 2 0 343.471 3.349 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000502798243 458671449 /nfs/dbraw/zinc/67/14/49/458671449.db2.gz ZQPIZLFGIVMNJE-DLBZAZTESA-N 2 0 348.535 3.145 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000463026217 458671967 /nfs/dbraw/zinc/67/19/67/458671967.db2.gz VTKGTEFVNRRWNI-MOPGFXCFSA-N 2 0 334.504 3.309 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000530211688 458717945 /nfs/dbraw/zinc/71/79/45/458717945.db2.gz NXWYUSJIMFVMFQ-SJORKVTESA-N 2 0 332.492 3.252 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000530216385 458719621 /nfs/dbraw/zinc/71/96/21/458719621.db2.gz BDBFAQDOCRSZEJ-GIVPXCGWSA-N 2 0 342.458 3.058 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000503872241 458726663 /nfs/dbraw/zinc/72/66/63/458726663.db2.gz MTKDEAUYNFQZMY-KBRIMQKVSA-N 2 0 342.430 3.438 20 0 EGADRP FC(F)(F)c1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243761 458729266 /nfs/dbraw/zinc/72/92/66/458729266.db2.gz YMFCGSKERQSEQG-INIZCTEOSA-N 2 0 342.405 3.296 20 0 EGADRP C[C@H](NCC[NH+]1CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511520 458753383 /nfs/dbraw/zinc/75/33/83/458753383.db2.gz HLRUNRVUUHNMIW-PZJWPPBQSA-N 2 0 329.532 3.363 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000456726551 458765384 /nfs/dbraw/zinc/76/53/84/458765384.db2.gz JMIWFTRXIDUMHP-FQEVSTJZSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000547733605 458782484 /nfs/dbraw/zinc/78/24/84/458782484.db2.gz WHPXJYOYFQBBMS-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000472347746 458788629 /nfs/dbraw/zinc/78/86/29/458788629.db2.gz PZAPYKLPJRCYLM-UYAOXDASSA-N 2 0 339.483 3.268 20 0 EGADRP Cc1[nH+]c2ccccc2c(NCCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC000432880531 458807144 /nfs/dbraw/zinc/80/71/44/458807144.db2.gz OGJUEPVJZDHACG-OAHLLOKOSA-N 2 0 327.472 3.186 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000473340660 458825173 /nfs/dbraw/zinc/82/51/73/458825173.db2.gz ANHZOKVCSYMNHV-PMACEKPBSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC000548061436 458830197 /nfs/dbraw/zinc/83/01/97/458830197.db2.gz ZYWVDNQIXRECAA-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)cc1)C(C)C ZINC000457126187 458876533 /nfs/dbraw/zinc/87/65/33/458876533.db2.gz QYGXJYFPAZJEII-HXUWFJFHSA-N 2 0 345.531 3.472 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)cc1)C(C)C ZINC000457126186 458876589 /nfs/dbraw/zinc/87/65/89/458876589.db2.gz QYGXJYFPAZJEII-FQEVSTJZSA-N 2 0 345.531 3.472 20 0 EGADRP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000474466318 458887721 /nfs/dbraw/zinc/88/77/21/458887721.db2.gz DYTLWZUXFMFWSD-OALUTQOASA-N 2 0 330.520 3.138 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000474738546 458898851 /nfs/dbraw/zinc/89/88/51/458898851.db2.gz SSHAIBVUMXGOGR-TZIWHRDSSA-N 2 0 331.548 3.289 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1Cl ZINC000556084193 458926396 /nfs/dbraw/zinc/92/63/96/458926396.db2.gz AASTZRSZMOAPLL-MRXNPFEDSA-N 2 0 338.879 3.035 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)Nc3cc(C)ccc3C)CC2)CC1 ZINC000566433467 458932415 /nfs/dbraw/zinc/93/24/15/458932415.db2.gz UEXDHBYZFRFJMG-UHFFFAOYSA-N 2 0 343.515 3.438 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000576944140 458953013 /nfs/dbraw/zinc/95/30/13/458953013.db2.gz VBDFJXHSGIFPIB-OXQOHEQNSA-N 2 0 347.572 3.259 20 0 EGADRP CC[C@@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000577028538 458965202 /nfs/dbraw/zinc/96/52/02/458965202.db2.gz POXCLTKPHCYAOL-IBGZPJMESA-N 2 0 345.531 3.230 20 0 EGADRP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(C)n1 ZINC000519592898 458969223 /nfs/dbraw/zinc/96/92/23/458969223.db2.gz BTEIVTVLIIXDJW-IBGZPJMESA-N 2 0 344.503 3.295 20 0 EGADRP CCC(CC)(CNC(=O)N(C)CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC000476046392 458976742 /nfs/dbraw/zinc/97/67/42/458976742.db2.gz CGYXWVHRUUAWHF-QGZVFWFLSA-N 2 0 348.535 3.099 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)C[NH+]1CCCCC1 ZINC000531938271 459003515 /nfs/dbraw/zinc/00/35/15/459003515.db2.gz YWGPAZCLDZRTDM-CVEARBPZSA-N 2 0 329.488 3.344 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000566858639 459012760 /nfs/dbraw/zinc/01/27/60/459012760.db2.gz SJEMAOAMNRAOIW-WOJBJXKFSA-N 2 0 338.499 3.311 20 0 EGADRP CN(CC[NH2+]CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000519859259 459017557 /nfs/dbraw/zinc/01/75/57/459017557.db2.gz CTZJMDRHFJVWFW-UHFFFAOYSA-N 2 0 345.874 3.390 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000519865736 459018895 /nfs/dbraw/zinc/01/88/95/459018895.db2.gz XQTVDZRVBRAEJE-SFHVURJKSA-N 2 0 335.923 3.249 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577373695 459024274 /nfs/dbraw/zinc/02/42/74/459024274.db2.gz YBRHFDSOMQULAF-DLBZAZTESA-N 2 0 325.456 3.065 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000442806182 459040753 /nfs/dbraw/zinc/04/07/53/459040753.db2.gz BIWNKCBPVBUJKF-PXNSSMCTSA-N 2 0 343.515 3.437 20 0 EGADRP CC(C)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000442864271 459047142 /nfs/dbraw/zinc/04/71/42/459047142.db2.gz CGHLGUCPOCJZGT-SFHVURJKSA-N 2 0 339.474 3.278 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442878026 459050522 /nfs/dbraw/zinc/05/05/22/459050522.db2.gz SBJZVRUSDGEXOL-GOSISDBHSA-N 2 0 347.547 3.398 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000442921047 459060987 /nfs/dbraw/zinc/06/09/87/459060987.db2.gz MLEAKBISJIGVFY-QGZVFWFLSA-N 2 0 325.456 3.221 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477917679 459066485 /nfs/dbraw/zinc/06/64/85/459066485.db2.gz OIVCUIZEOHHUTN-ICSRJNTNSA-N 2 0 329.532 3.219 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000442998444 459072724 /nfs/dbraw/zinc/07/27/24/459072724.db2.gz JNAHIXDLJXFLHW-UHFFFAOYSA-N 2 0 344.421 3.339 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058139 459079242 /nfs/dbraw/zinc/07/92/42/459079242.db2.gz JLDQODDJVWEEOV-XHSDSOJGSA-N 2 0 343.471 3.059 20 0 EGADRP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064791 459080933 /nfs/dbraw/zinc/08/09/33/459080933.db2.gz YWSVGHUYFYXCMN-UKRRQHHQSA-N 2 0 348.878 3.436 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000443065674 459082637 /nfs/dbraw/zinc/08/26/37/459082637.db2.gz CLKCCNYTVGCOIW-XLIONFOSSA-N 2 0 337.467 3.427 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442419 459089133 /nfs/dbraw/zinc/08/91/33/459089133.db2.gz JCWPTAXBSURXTG-HOTGVXAUSA-N 2 0 329.488 3.486 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000577858672 459108962 /nfs/dbraw/zinc/10/89/62/459108962.db2.gz PAYLMWXWLVQGPD-NILFDRSVSA-N 2 0 343.393 3.282 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000521246771 459135319 /nfs/dbraw/zinc/13/53/19/459135319.db2.gz MDCYPRRCIQMADH-KRWDZBQOSA-N 2 0 339.911 3.181 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000567678539 459143260 /nfs/dbraw/zinc/14/32/60/459143260.db2.gz VJYJJNATKOXEMJ-VQIMIIECSA-N 2 0 338.923 3.345 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(CC[NH3+])CC3)n2)cc1F ZINC000578242369 459169194 /nfs/dbraw/zinc/16/91/94/459169194.db2.gz UXZHWYWWTZGQKR-CYBMUJFWSA-N 2 0 332.423 3.306 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000567795226 459169469 /nfs/dbraw/zinc/16/94/69/459169469.db2.gz DUCPTHCVGRVNJS-KRWDZBQOSA-N 2 0 331.504 3.067 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000480554614 459205427 /nfs/dbraw/zinc/20/54/27/459205427.db2.gz NOWDGKBTMXOPAF-YADHBBJMSA-N 2 0 345.575 3.424 20 0 EGADRP COCC[N@H+](C)CC[C@@H](N[C@H](C)c1cncnc1C)c1ccccc1 ZINC000578522368 459215530 /nfs/dbraw/zinc/21/55/30/459215530.db2.gz JLVMALPTVGLNLK-YLJYHZDGSA-N 2 0 342.487 3.145 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccc(C(F)F)nc2)CC[NH+](C)CC1 ZINC000595046584 459227015 /nfs/dbraw/zinc/22/70/15/459227015.db2.gz AVVPSYDJCGEEMZ-GFCCVEGCSA-N 2 0 329.460 3.497 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000481032679 459229782 /nfs/dbraw/zinc/22/97/82/459229782.db2.gz CRQHYIYOCPGFDG-HMXCVIKNSA-N 2 0 329.532 3.389 20 0 EGADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000496547263 459234836 /nfs/dbraw/zinc/23/48/36/459234836.db2.gz IRRPQMMGBJGVFX-KZNAEPCWSA-N 2 0 331.460 3.265 20 0 EGADRP C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179822 459237415 /nfs/dbraw/zinc/23/74/15/459237415.db2.gz JPZSYNYVMWCKJB-GUDVDZBRSA-N 2 0 347.547 3.398 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000559280167 459249466 /nfs/dbraw/zinc/24/94/66/459249466.db2.gz CVRNLQQSPNLRPF-HXUWFJFHSA-N 2 0 345.531 3.278 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481971236 459282650 /nfs/dbraw/zinc/28/26/50/459282650.db2.gz GQCLGQGGOJLCQW-RBUKOAKNSA-N 2 0 347.547 3.398 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000560002770 459291502 /nfs/dbraw/zinc/29/15/02/459291502.db2.gz NBBHDGUBOJXPIT-MRXNPFEDSA-N 2 0 345.512 3.355 20 0 EGADRP CC(C)c1[nH+]c(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2ccccn21 ZINC000568634237 459320814 /nfs/dbraw/zinc/32/08/14/459320814.db2.gz HCMCGYSUCYZBFK-FUHWJXTLSA-N 2 0 326.488 3.374 20 0 EGADRP CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000560343691 459326693 /nfs/dbraw/zinc/32/66/93/459326693.db2.gz UGROGMONNMZITC-LPHOPBHVSA-N 2 0 345.531 3.298 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c(C)c1 ZINC000524637622 459378491 /nfs/dbraw/zinc/37/84/91/459378491.db2.gz MNBNFGWJKKJJSZ-QFIPXVFZSA-N 2 0 338.495 3.338 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1)CC1CC1 ZINC000582675371 459408157 /nfs/dbraw/zinc/40/81/57/459408157.db2.gz GWJDNMSEIFTIPU-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000525001305 459410564 /nfs/dbraw/zinc/41/05/64/459410564.db2.gz LMLBZPQIHZXGRY-CQSZACIVSA-N 2 0 341.293 3.102 20 0 EGADRP CCOc1ccccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000569384307 459443642 /nfs/dbraw/zinc/44/36/42/459443642.db2.gz BPKGMAQQQUUXGD-ROUUACIJSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000569474197 459458910 /nfs/dbraw/zinc/45/89/10/459458910.db2.gz HEQHJQFLKKREHE-NVXWUHKLSA-N 2 0 340.471 3.423 20 0 EGADRP C[N@H+](CCOc1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000525488292 459460211 /nfs/dbraw/zinc/46/02/11/459460211.db2.gz JJFINGWRXSDCNH-AWEZNQCLSA-N 2 0 330.394 3.358 20 0 EGADRP CC1(C)CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000541544139 459464511 /nfs/dbraw/zinc/46/45/11/459464511.db2.gz QOLGLZSRUNPHTL-OALUTQOASA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC[NH2+]C(C)C)c1ccccc1Cl ZINC000561936576 459494162 /nfs/dbraw/zinc/49/41/62/459494162.db2.gz HIZYQNMNWHOOMW-QGZVFWFLSA-N 2 0 339.911 3.227 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C[C@@H]1C ZINC000596093649 459516831 /nfs/dbraw/zinc/51/68/31/459516831.db2.gz CUHMZBXPXTYAIU-DSLXNQLJSA-N 2 0 336.520 3.066 20 0 EGADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000583495129 459548799 /nfs/dbraw/zinc/54/87/99/459548799.db2.gz QUKBAKQNMREWIV-FQEVSTJZSA-N 2 0 346.515 3.040 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000583497863 459549473 /nfs/dbraw/zinc/54/94/73/459549473.db2.gz LMTTVOIYYVJJLD-JKSUJKDBSA-N 2 0 331.504 3.153 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000583559786 459559261 /nfs/dbraw/zinc/55/92/61/459559261.db2.gz KBNNNVDQPPHKPD-NRFANRHFSA-N 2 0 332.532 3.328 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CCC)[NH2+]C(C)C)CC1 ZINC000498271523 459578278 /nfs/dbraw/zinc/57/82/78/459578278.db2.gz HWAYGXCEKSDGIF-SFHVURJKSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000542666880 459579330 /nfs/dbraw/zinc/57/93/30/459579330.db2.gz YZOZGCFGGZEPHP-AWEZNQCLSA-N 2 0 343.309 3.458 20 0 EGADRP CC(C)C1CCC(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000572887380 459590227 /nfs/dbraw/zinc/59/02/27/459590227.db2.gz OEDIHQDGNKXKLS-UHFFFAOYSA-N 2 0 335.580 3.408 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000584170348 459671234 /nfs/dbraw/zinc/67/12/34/459671234.db2.gz KAHCDWSZVJRWDS-IBGZPJMESA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000562984198 459686429 /nfs/dbraw/zinc/68/64/29/459686429.db2.gz AIMJQAZJPVBAFH-NRFANRHFSA-N 2 0 348.531 3.186 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1 ZINC000562987621 459687333 /nfs/dbraw/zinc/68/73/33/459687333.db2.gz TYEXQMBRPYOUNW-UWJYYQICSA-N 2 0 326.484 3.393 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000562997133 459690017 /nfs/dbraw/zinc/69/00/17/459690017.db2.gz LATNTIDFUMEMGD-XVAXZDLZSA-N 2 0 326.484 3.206 20 0 EGADRP C[N@H+](C[C@H](O)CN[C@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676424 459715702 /nfs/dbraw/zinc/71/57/02/459715702.db2.gz JXZARNZRYRGLIS-WOJBJXKFSA-N 2 0 344.886 3.474 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000573698612 459721492 /nfs/dbraw/zinc/72/14/92/459721492.db2.gz CPOOXSDPCXRZOA-MRXNPFEDSA-N 2 0 326.488 3.250 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@@H](CN(C)CC[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC000563214697 459740536 /nfs/dbraw/zinc/74/05/36/459740536.db2.gz CVRKRXICARLHIW-ROUUACIJSA-N 2 0 335.561 3.295 20 0 EGADRP CC(C)[NH2+]C1(CO)CCN([C@@H](C)CCSc2ccccc2)CC1 ZINC000573931517 459759021 /nfs/dbraw/zinc/75/90/21/459759021.db2.gz WZLBUDYUMNEXHU-KRWDZBQOSA-N 2 0 336.545 3.382 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1(C)C ZINC000527891793 459766497 /nfs/dbraw/zinc/76/64/97/459766497.db2.gz DDSLMUDPXIRZEN-KRWDZBQOSA-N 2 0 339.886 3.082 20 0 EGADRP C[C@@H]1C[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CCN1C ZINC000527939396 459777371 /nfs/dbraw/zinc/77/73/71/459777371.db2.gz NTUZEFOQOLMIEK-CRAIPNDOSA-N 2 0 346.519 3.464 20 0 EGADRP CCC[NH+]1CCN(C(=O)c2ccc(C)c(Oc3ccncc3)c2)CC1 ZINC000584674561 459781890 /nfs/dbraw/zinc/78/18/90/459781890.db2.gz HHMBUFUTWZZLAN-UHFFFAOYSA-N 2 0 339.439 3.350 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Oc3cnccn3)cc1)CC[NH2+]CC2 ZINC000574311382 459805044 /nfs/dbraw/zinc/80/50/44/459805044.db2.gz UWTQSYUELVXLTC-MRXNPFEDSA-N 2 0 338.455 3.233 20 0 EGADRP CN1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1c1cccs1 ZINC000566116977 459808853 /nfs/dbraw/zinc/80/88/53/459808853.db2.gz RKJYTYMFLUQIRP-DYEKYZERSA-N 2 0 336.423 3.034 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000566174834 459818599 /nfs/dbraw/zinc/81/85/99/459818599.db2.gz BDFDCVCTUDTKKJ-HCXYKTFWSA-N 2 0 335.536 3.007 20 0 EGADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000597046669 459823517 /nfs/dbraw/zinc/82/35/17/459823517.db2.gz IPAJREYOKQUPIN-HNNXBMFYSA-N 2 0 336.451 3.214 20 0 EGADRP O=C(CCCn1ccnc1)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000586805160 459878537 /nfs/dbraw/zinc/87/85/37/459878537.db2.gz HQWHXMZLZIREIY-UHFFFAOYSA-N 2 0 329.791 3.141 20 0 EGADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000574889801 459889409 /nfs/dbraw/zinc/88/94/09/459889409.db2.gz GAGKCFMPOAOMFR-HNNXBMFYSA-N 2 0 340.471 3.109 20 0 EGADRP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000597238824 459890284 /nfs/dbraw/zinc/89/02/84/459890284.db2.gz JLOQLGPVQQLPCA-AZUAARDMSA-N 2 0 336.520 3.495 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000593723571 459963597 /nfs/dbraw/zinc/96/35/97/459963597.db2.gz YNFFOBXLIKVFTL-MMOPVJDHSA-N 2 0 346.515 3.358 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000621751467 460048389 /nfs/dbraw/zinc/04/83/89/460048389.db2.gz HGETUZKGQYDEOH-IEBWSBKVSA-N 2 0 329.488 3.194 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621753431 460049378 /nfs/dbraw/zinc/04/93/78/460049378.db2.gz OJWPOWZIIFGTGL-IBGZPJMESA-N 2 0 329.488 3.196 20 0 EGADRP CSC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC[NH+](C)CC1 ZINC000602667648 460056805 /nfs/dbraw/zinc/05/68/05/460056805.db2.gz RKVIXSQJURWQLH-UHFFFAOYSA-N 2 0 348.343 3.493 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000621764977 460057107 /nfs/dbraw/zinc/05/71/07/460057107.db2.gz PLGLAXPSAQDVJP-UYAOXDASSA-N 2 0 341.499 3.196 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614255198 460069169 /nfs/dbraw/zinc/06/91/69/460069169.db2.gz OZCDAVJLIOHQLO-AWEZNQCLSA-N 2 0 326.444 3.352 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](C)C[C@@H]2CC)cc1 ZINC000614335603 460103830 /nfs/dbraw/zinc/10/38/30/460103830.db2.gz QQNSTFTUHWJKIR-FQEVSTJZSA-N 2 0 345.531 3.475 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000599321379 460228590 /nfs/dbraw/zinc/22/85/90/460228590.db2.gz BVOAKULWEKOGLQ-FQEVSTJZSA-N 2 0 343.515 3.163 20 0 EGADRP Cc1cc(C)cc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000622498604 460268414 /nfs/dbraw/zinc/26/84/14/460268414.db2.gz FPUOTUYVHJUJOO-UHFFFAOYSA-N 2 0 346.515 3.117 20 0 EGADRP C[C@H]1CC(F)(F)CC[NH+]1CCOCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980078 460324607 /nfs/dbraw/zinc/32/46/07/460324607.db2.gz AQQNTEUHFQLIMQ-KBPBESRZSA-N 2 0 340.405 3.242 20 0 EGADRP Cc1ccc(-c2ncc(C[NH2+]CCCN(C)CC[NH+](C)C)s2)cc1 ZINC000623087676 460409048 /nfs/dbraw/zinc/40/90/48/460409048.db2.gz CBPPWZVSZRNXHX-UHFFFAOYSA-N 2 0 346.544 3.092 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000604727028 460466657 /nfs/dbraw/zinc/46/66/57/460466657.db2.gz PYENMOSIZVYUKZ-QGZVFWFLSA-N 2 0 337.508 3.218 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000634679568 460471612 /nfs/dbraw/zinc/47/16/12/460471612.db2.gz YQBSKENLJVCOSP-LJQANCHMSA-N 2 0 345.531 3.136 20 0 EGADRP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631667538 460501120 /nfs/dbraw/zinc/50/11/20/460501120.db2.gz QAYUAEUBKMHLNE-AOIWGVFYSA-N 2 0 326.488 3.322 20 0 EGADRP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631667539 460501717 /nfs/dbraw/zinc/50/17/17/460501717.db2.gz QAYUAEUBKMHLNE-JENIJYKNSA-N 2 0 326.488 3.322 20 0 EGADRP FC(F)(F)c1ncccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000629545499 460802274 /nfs/dbraw/zinc/80/22/74/460802274.db2.gz MYOKTJFBXQWQLJ-CQSZACIVSA-N 2 0 327.394 3.312 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000629545036 460803218 /nfs/dbraw/zinc/80/32/18/460803218.db2.gz ALSBYQMCZOWRGU-RLLQIKCJSA-N 2 0 331.504 3.374 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cc2c1 ZINC000629546963 460804632 /nfs/dbraw/zinc/80/46/32/460804632.db2.gz IWHGXSHMFREUOI-TYPHKJRUSA-N 2 0 339.483 3.404 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000624005582 460818577 /nfs/dbraw/zinc/81/85/77/460818577.db2.gz WAFJEOLTOQOZLF-VQTJNVASSA-N 2 0 337.467 3.032 20 0 EGADRP c1nc2c(s1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000624010711 460821326 /nfs/dbraw/zinc/82/13/26/460821326.db2.gz WDRAJMJUUGKILM-INIZCTEOSA-N 2 0 335.517 3.001 20 0 EGADRP [NH3+]C1(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000629654737 460849284 /nfs/dbraw/zinc/84/92/84/460849284.db2.gz QDBOPMUAZUMGMK-UHFFFAOYSA-N 2 0 330.394 3.126 20 0 EGADRP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OC[C@@H](O)C[NH3+])cc2)cc1 ZINC000629702752 460876019 /nfs/dbraw/zinc/87/60/19/460876019.db2.gz UKOLSPCAJBIQFY-UZLBHIALSA-N 2 0 340.467 3.036 20 0 EGADRP C[NH+](C)Cc1cccc(-c2ccc([C@H]3[NH2+]CCc4nc[nH]c43)cc2)c1 ZINC000629706221 460878916 /nfs/dbraw/zinc/87/89/16/460878916.db2.gz GMRBRSNOVDPWDW-HXUWFJFHSA-N 2 0 332.451 3.373 20 0 EGADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(OC(F)F)nc3)cc2)CC1 ZINC000629734404 460894648 /nfs/dbraw/zinc/89/46/48/460894648.db2.gz QYPQRTUOPMPJEP-UHFFFAOYSA-N 2 0 333.382 3.273 20 0 EGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C34CCC[NH+](CCC3)C4)c2C1 ZINC000635718145 460896308 /nfs/dbraw/zinc/89/63/08/460896308.db2.gz YBLOLBFCFKAWHO-UHFFFAOYSA-N 2 0 341.499 3.473 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617922658 461022301 /nfs/dbraw/zinc/02/23/01/461022301.db2.gz POEXYDZZEZJXOO-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP c1cc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000628185348 461037394 /nfs/dbraw/zinc/03/73/94/461037394.db2.gz VQUVPONWMQIHOM-UHFFFAOYSA-N 2 0 327.472 3.245 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC000628188060 461039487 /nfs/dbraw/zinc/03/94/87/461039487.db2.gz MNULPIDDJOWRGN-UHFFFAOYSA-N 2 0 340.515 3.158 20 0 EGADRP Cc1ccc([C@@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000628236417 461057713 /nfs/dbraw/zinc/05/77/13/461057713.db2.gz AFYUNJIUIYGPRO-PGRDOPGGSA-N 2 0 338.495 3.455 20 0 EGADRP CO[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CCOCC1 ZINC000637906232 461116831 /nfs/dbraw/zinc/11/68/31/461116831.db2.gz SAMWWOIBHIGLNP-FQEVSTJZSA-N 2 0 338.536 3.016 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000652349318 461142182 /nfs/dbraw/zinc/14/21/82/461142182.db2.gz KLRJBVBKXDERRA-YSVLISHTSA-N 2 0 347.484 3.121 20 0 EGADRP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350124 461144303 /nfs/dbraw/zinc/14/43/03/461144303.db2.gz HBDPLKWDKCBXIL-XCRHUMRWSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000652350133 461144846 /nfs/dbraw/zinc/14/48/46/461144846.db2.gz HSNFQDSMPJNIJZ-BEKAIBRUSA-N 2 0 332.463 3.421 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000652350135 461145241 /nfs/dbraw/zinc/14/52/41/461145241.db2.gz HSNFQDSMPJNIJZ-RKOGWWSCSA-N 2 0 332.463 3.421 20 0 EGADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000662265010 461153204 /nfs/dbraw/zinc/15/32/04/461153204.db2.gz TUMQZEJBKKYGBI-OAQYLSRUSA-N 2 0 335.495 3.433 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2Cl)C1 ZINC000652361085 461155261 /nfs/dbraw/zinc/15/52/61/461155261.db2.gz YDGZULPWGBNCIW-CSMYWGQOSA-N 2 0 326.843 3.340 20 0 EGADRP Fc1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000662271908 461159544 /nfs/dbraw/zinc/15/95/44/461159544.db2.gz BIIBMJSWDMOMNQ-CYBMUJFWSA-N 2 0 328.378 3.249 20 0 EGADRP COc1ccc(-c2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)on2)cc1 ZINC000662275207 461160961 /nfs/dbraw/zinc/16/09/61/461160961.db2.gz VTVIFBJKUSMUJU-IBGZPJMESA-N 2 0 341.455 3.314 20 0 EGADRP c1ccc(CC[C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662277530 461163167 /nfs/dbraw/zinc/16/31/67/461163167.db2.gz RCZLLSXBOXQDNO-NRFANRHFSA-N 2 0 336.479 3.166 20 0 EGADRP C[N@@H+]1CCC[C@H]1CN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649546830 461166323 /nfs/dbraw/zinc/16/63/23/461166323.db2.gz BHPUVOXPTIZPTQ-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295201 461172542 /nfs/dbraw/zinc/17/25/42/461172542.db2.gz FWWJWQKWQGWKAA-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185539 /nfs/dbraw/zinc/18/55/39/461185539.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)c1ccccc1 ZINC000662347104 461204261 /nfs/dbraw/zinc/20/42/61/461204261.db2.gz ARBRFTSUWBKGTR-HXUWFJFHSA-N 2 0 337.467 3.103 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCc3cncc(C)n3)C2)s1 ZINC000649603225 461211577 /nfs/dbraw/zinc/21/15/77/461211577.db2.gz BEALSPQYEIGLRA-KRWDZBQOSA-N 2 0 344.528 3.151 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638190357 461299489 /nfs/dbraw/zinc/29/94/89/461299489.db2.gz HKZLCHWGCJGEMT-UHFFFAOYSA-N 2 0 333.520 3.176 20 0 EGADRP c1cc(N2CCC([NH2+][C@H]3CCN(C4CCCCC4)C3)CC2)cc[nH+]1 ZINC000668587894 461341952 /nfs/dbraw/zinc/34/19/52/461341952.db2.gz SSVUOERUGULARM-SFHVURJKSA-N 2 0 328.504 3.047 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc2c(c1)CCCC2 ZINC000638303239 461355907 /nfs/dbraw/zinc/35/59/07/461355907.db2.gz PGMJELFGIUUIMR-MRXNPFEDSA-N 2 0 330.516 3.451 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nsc4ccccc43)C2)C1 ZINC000641818412 461387391 /nfs/dbraw/zinc/38/73/91/461387391.db2.gz DQJFJUWCGWHNEK-CPUCHLNUSA-N 2 0 331.485 3.015 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]CCCc3cnn(C)c3)cc2)C1 ZINC000638363580 461388400 /nfs/dbraw/zinc/38/84/00/461388400.db2.gz PHWXZVLMLCJBEK-SFHVURJKSA-N 2 0 340.515 3.374 20 0 EGADRP CC[NH+](CC)Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655757553 461425269 /nfs/dbraw/zinc/42/52/69/461425269.db2.gz IKHKRWFTCAOBFA-HXUWFJFHSA-N 2 0 331.504 3.194 20 0 EGADRP CNC(=O)CCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638438689 461427738 /nfs/dbraw/zinc/42/77/38/461427738.db2.gz LSJPLCXCTMVNSY-NRFANRHFSA-N 2 0 345.531 3.041 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]CCC3CCOCC3)CC2)cc1 ZINC000638452805 461435654 /nfs/dbraw/zinc/43/56/54/461435654.db2.gz DHPIRTDQGSZKMZ-UHFFFAOYSA-N 2 0 346.515 3.314 20 0 EGADRP CC[C@@](C)(C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)OC ZINC000638454676 461435709 /nfs/dbraw/zinc/43/57/09/461435709.db2.gz ZWQTXZWOMZPRSA-FQEVSTJZSA-N 2 0 334.504 3.312 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000638452588 461436096 /nfs/dbraw/zinc/43/60/96/461436096.db2.gz ZKTGYSJFQYOCJE-UHFFFAOYSA-N 2 0 345.314 3.361 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000638530696 461471123 /nfs/dbraw/zinc/47/11/23/461471123.db2.gz BQZUJGIXBMRMNV-IBGZPJMESA-N 2 0 334.479 3.492 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638567485 461488901 /nfs/dbraw/zinc/48/89/01/461488901.db2.gz MWKAAIFQJLRVKQ-FPOVZHCZSA-N 2 0 327.516 3.286 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000638609232 461504796 /nfs/dbraw/zinc/50/47/96/461504796.db2.gz IZZCFDCRDCNJAY-RTWAWAEBSA-N 2 0 346.515 3.204 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC([C@@H]4CC[NH2+]C4)CC3)c2cc1OC ZINC000663238639 461523317 /nfs/dbraw/zinc/52/33/17/461523317.db2.gz GOOMEWUEQNDEEO-OAHLLOKOSA-N 2 0 341.455 3.078 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2Sc3ccccc3NC2=O)C[C@H]1C ZINC000659983090 461528376 /nfs/dbraw/zinc/52/83/76/461528376.db2.gz DEUGCNLBZXLAAI-RVKKMQEKSA-N 2 0 347.528 3.294 20 0 EGADRP C[C@H](CC1CCC1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000666253091 461529315 /nfs/dbraw/zinc/52/93/15/461529315.db2.gz LVTHDKYAGOCHND-MRXNPFEDSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000647172687 461542348 /nfs/dbraw/zinc/54/23/48/461542348.db2.gz DTJBMXIDTLJQTI-UHFFFAOYSA-N 2 0 337.458 3.102 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647189583 461553046 /nfs/dbraw/zinc/55/30/46/461553046.db2.gz DCUUAKUZCNVHCK-UHFFFAOYSA-N 2 0 338.442 3.311 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(F)c3ccccc23)CC1(C)C ZINC000631126454 461571999 /nfs/dbraw/zinc/57/19/99/461571999.db2.gz KOKDJLIRBFHMCR-UHFFFAOYSA-N 2 0 329.463 3.095 20 0 EGADRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(-c2cccs2)n1 ZINC000663345913 461573965 /nfs/dbraw/zinc/57/39/65/461573965.db2.gz OSAKIWLQMNSAGX-INIZCTEOSA-N 2 0 344.528 3.360 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347234 461576796 /nfs/dbraw/zinc/57/67/96/461576796.db2.gz HPERBCHHCFXGHA-SJLPKXTDSA-N 2 0 329.488 3.115 20 0 EGADRP Cc1nnsc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000638796563 461582543 /nfs/dbraw/zinc/58/25/43/461582543.db2.gz KXDKKDCOYDKJRR-WMLDXEAASA-N 2 0 330.501 3.237 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663357209 461586743 /nfs/dbraw/zinc/58/67/43/461586743.db2.gz FFVWHQXNQDGTHD-SFHVURJKSA-N 2 0 331.504 3.141 20 0 EGADRP C[C@H]1SCC[C@@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000647258175 461593607 /nfs/dbraw/zinc/59/36/07/461593607.db2.gz SXRZWIMFFZNAJU-QAPCUYQASA-N 2 0 333.545 3.201 20 0 EGADRP Fc1cc(Br)cc2c1CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000643058499 461598856 /nfs/dbraw/zinc/59/88/56/461598856.db2.gz IDAHIRXTKGUOHO-LBPRGKRZSA-N 2 0 341.268 3.336 20 0 EGADRP CC[C@@H](CC(F)F)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151547 461608459 /nfs/dbraw/zinc/60/84/59/461608459.db2.gz UGPRMKIXCLWFNZ-INIZCTEOSA-N 2 0 331.495 3.158 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000638862203 461625856 /nfs/dbraw/zinc/62/58/56/461625856.db2.gz NQZCAOUTIAGKGI-UHFFFAOYSA-N 2 0 335.536 3.153 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638915386 461647805 /nfs/dbraw/zinc/64/78/05/461647805.db2.gz LQTUDZYSJRLTGL-CRAIPNDOSA-N 2 0 327.447 3.408 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469584 461659416 /nfs/dbraw/zinc/65/94/16/461659416.db2.gz QVAFOJOKBNMSPE-RDJZCZTQSA-N 2 0 347.478 3.254 20 0 EGADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000643453512 461730612 /nfs/dbraw/zinc/73/06/12/461730612.db2.gz IXJUYGYJVARMRZ-QRQLOZEOSA-N 2 0 327.472 3.229 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1[NH3+] ZINC000647497794 461735896 /nfs/dbraw/zinc/73/58/96/461735896.db2.gz VYEOYZKZTYYJGK-ICSRJNTNSA-N 2 0 325.456 3.220 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCCC[NH2+]3)[C@@H]3CCC[C@H]32)cc1 ZINC000643502712 461749072 /nfs/dbraw/zinc/74/90/72/461749072.db2.gz OPIMZHDWYDVNOL-XSDIEEQYSA-N 2 0 327.516 3.161 20 0 EGADRP CCc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000647532577 461750274 /nfs/dbraw/zinc/75/02/74/461750274.db2.gz IGJKNQSODIGHDL-WIYYLYMNSA-N 2 0 340.515 3.155 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643521752 461753257 /nfs/dbraw/zinc/75/32/57/461753257.db2.gz BCAYCCZZDTYMCR-WBVHZDCISA-N 2 0 332.492 3.353 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543215 461756311 /nfs/dbraw/zinc/75/63/11/461756311.db2.gz JMJSTTVRWHPOCY-VYDXJSESSA-N 2 0 335.517 3.206 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543153 461756387 /nfs/dbraw/zinc/75/63/87/461756387.db2.gz IHKCTVWXYUQWDN-DLBZAZTESA-N 2 0 325.456 3.152 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000647544086 461759800 /nfs/dbraw/zinc/75/98/00/461759800.db2.gz WOASNDDQJNADEN-OALUTQOASA-N 2 0 338.499 3.299 20 0 EGADRP C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643549066 461760607 /nfs/dbraw/zinc/76/06/07/461760607.db2.gz ZSLWGAUDZXKPDQ-YSIASYRMSA-N 2 0 327.516 3.161 20 0 EGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549829 461763282 /nfs/dbraw/zinc/76/32/82/461763282.db2.gz SNZAPZVELUGWBC-QBPKDAKJSA-N 2 0 334.529 3.401 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000653617351 461763713 /nfs/dbraw/zinc/76/37/13/461763713.db2.gz YWJZKGYYWWJSAR-IEBWSBKVSA-N 2 0 344.503 3.230 20 0 EGADRP CNC(=O)C[C@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000639248421 461824998 /nfs/dbraw/zinc/82/49/98/461824998.db2.gz YIUGXWLGNYQEIE-LAUBAEHRSA-N 2 0 345.531 3.039 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000647789134 461835451 /nfs/dbraw/zinc/83/54/51/461835451.db2.gz ZDKPRZKVIXWXLC-QEUVDIPISA-N 2 0 345.531 3.056 20 0 EGADRP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791677 461837029 /nfs/dbraw/zinc/83/70/29/461837029.db2.gz KBLIHIHPFWNTEF-YQVWRLOYSA-N 2 0 331.529 3.035 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)OC(C)C ZINC000647795192 461837996 /nfs/dbraw/zinc/83/79/96/461837996.db2.gz JPPBTOQSBMZTFG-VIPLHTEESA-N 2 0 332.488 3.139 20 0 EGADRP Cn1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(Cl)cc21 ZINC000647795846 461839234 /nfs/dbraw/zinc/83/92/34/461839234.db2.gz YCUSSPXDHVAPDQ-JLJPHGGASA-N 2 0 331.891 3.352 20 0 EGADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666858066 461839409 /nfs/dbraw/zinc/83/94/09/461839409.db2.gz VUBVDFDYCJZYBY-HNNXBMFYSA-N 2 0 338.377 3.327 20 0 EGADRP Fc1cc(Br)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000647796786 461840368 /nfs/dbraw/zinc/84/03/68/461840368.db2.gz NSWRVOAXSBZMIL-HOSYDEDBSA-N 2 0 345.231 3.205 20 0 EGADRP [NH3+]Cc1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000666863205 461841351 /nfs/dbraw/zinc/84/13/51/461841351.db2.gz PKVUKGKLPPBBRA-UHFFFAOYSA-N 2 0 325.456 3.232 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cn21 ZINC000647803929 461845019 /nfs/dbraw/zinc/84/50/19/461845019.db2.gz DRFILFPCULRVTF-CEXWTWQISA-N 2 0 326.488 3.086 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cn21 ZINC000647803932 461845139 /nfs/dbraw/zinc/84/51/39/461845139.db2.gz DRFILFPCULRVTF-IPMKNSEASA-N 2 0 326.488 3.086 20 0 EGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000647803168 461845527 /nfs/dbraw/zinc/84/55/27/461845527.db2.gz JRVUYLIVHNZPOX-GJZGRUSLSA-N 2 0 328.456 3.444 20 0 EGADRP CC[N@H+](CCC[NH2+]C[C@@H](OC)C1CCOCC1)C1CCCCC1 ZINC000639291899 461847127 /nfs/dbraw/zinc/84/71/27/461847127.db2.gz VNUXBQMLDYISHV-LJQANCHMSA-N 2 0 326.525 3.062 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)o1 ZINC000650671233 461880284 /nfs/dbraw/zinc/88/02/84/461880284.db2.gz CAGMZGQMYMSSEQ-MRXNPFEDSA-N 2 0 344.459 3.078 20 0 EGADRP CC(C)O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000647911724 461882049 /nfs/dbraw/zinc/88/20/49/461882049.db2.gz IGZVQYAJMKSBDV-NQIIRXRSSA-N 2 0 346.515 3.243 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784849 461893612 /nfs/dbraw/zinc/89/36/12/461893612.db2.gz DAVZSIDOUJGJGC-MRXNPFEDSA-N 2 0 342.462 3.427 20 0 EGADRP c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656786275 461897305 /nfs/dbraw/zinc/89/73/05/461897305.db2.gz RIJKVNDEBKVACZ-HXUWFJFHSA-N 2 0 338.499 3.143 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000650706502 461898910 /nfs/dbraw/zinc/89/89/10/461898910.db2.gz LYVXZKVXDKINLV-NRXGSXMXSA-N 2 0 332.419 3.290 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)c1 ZINC000666995325 461903586 /nfs/dbraw/zinc/90/35/86/461903586.db2.gz KDJNMGWGKLGQJU-DLBZAZTESA-N 2 0 329.488 3.285 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000650708881 461904270 /nfs/dbraw/zinc/90/42/70/461904270.db2.gz SBBDGVZTJDBSCF-RXVVDRJESA-N 2 0 337.467 3.221 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)[C@H]1CC[NH3+] ZINC000650711927 461905196 /nfs/dbraw/zinc/90/51/96/461905196.db2.gz JHNHNQXTGZUZFG-KXBFYZLASA-N 2 0 330.451 3.020 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OCC(C)C ZINC000666999481 461905847 /nfs/dbraw/zinc/90/58/47/461905847.db2.gz NGSMHAWNYLPHNA-KRWDZBQOSA-N 2 0 332.488 3.494 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665691 461914132 /nfs/dbraw/zinc/91/41/32/461914132.db2.gz XHNKXXVUENYSMI-KRWDZBQOSA-N 2 0 326.843 3.276 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000650722175 461914908 /nfs/dbraw/zinc/91/49/08/461914908.db2.gz MUNZLJOGQLUINX-BMGDILEWSA-N 2 0 338.879 3.209 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977677 461918586 /nfs/dbraw/zinc/91/85/86/461918586.db2.gz FZPHYBMPRNUUSF-DLBZAZTESA-N 2 0 347.478 3.174 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976149 461918944 /nfs/dbraw/zinc/91/89/44/461918944.db2.gz KSESALXSHUJWOS-OTWHNJEPSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647976273 461919300 /nfs/dbraw/zinc/91/93/00/461919300.db2.gz MGGUHLBZWSFGMA-YESZJQIVSA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647976271 461919602 /nfs/dbraw/zinc/91/96/02/461919602.db2.gz MGGUHLBZWSFGMA-GVDBMIGSSA-N 2 0 347.478 3.173 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CN1Cc1ccccc1 ZINC000650753752 461934944 /nfs/dbraw/zinc/93/49/44/461934944.db2.gz UZXILFNVCQJJLW-HNAYVOBHSA-N 2 0 327.447 3.037 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)c1OC ZINC000650756093 461936642 /nfs/dbraw/zinc/93/66/42/461936642.db2.gz UNCIDKVILPJTMO-ZDUSSCGKSA-N 2 0 332.419 3.461 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650761919 461940434 /nfs/dbraw/zinc/94/04/34/461940434.db2.gz NPKFFUJORKYYBE-NRFANRHFSA-N 2 0 339.483 3.353 20 0 EGADRP Brc1cc2c(s1)CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762031 461940707 /nfs/dbraw/zinc/94/07/07/461940707.db2.gz QUXHDALIMVZDBT-GFCCVEGCSA-N 2 0 329.307 3.477 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000650764010 461941755 /nfs/dbraw/zinc/94/17/55/461941755.db2.gz OIBFLLHWASMJTK-ZDUSSCGKSA-N 2 0 347.894 3.269 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000650764137 461942076 /nfs/dbraw/zinc/94/20/76/461942076.db2.gz QVYAEBOMEWQXEC-AWEZNQCLSA-N 2 0 330.476 3.011 20 0 EGADRP O=C(Nc1cccc(Oc2ccncc2)c1)N[C@H]1CCC[NH2+]CC1 ZINC000667099622 461948989 /nfs/dbraw/zinc/94/89/89/461948989.db2.gz JAMXCVDTCQYQBE-AWEZNQCLSA-N 2 0 326.400 3.138 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](C2CCCC2)CC1)Nc1ccccc1F ZINC000644584192 461996681 /nfs/dbraw/zinc/99/66/81/461996681.db2.gz PKWQXSKILYYIGV-UHFFFAOYSA-N 2 0 333.451 3.151 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639577492 462000590 /nfs/dbraw/zinc/00/05/90/462000590.db2.gz JMOXHVZCNCEGSZ-BBWFWOEESA-N 2 0 349.494 3.043 20 0 EGADRP Cc1[nH+]ccc(NCC2CC[NH+](Cc3ccncc3)CC2)c1Cl ZINC000664283769 462002556 /nfs/dbraw/zinc/00/25/56/462002556.db2.gz VIBYFBYACAEALP-UHFFFAOYSA-N 2 0 330.863 3.184 20 0 EGADRP C[C@H]1OCC[C@H]1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000639656611 462042118 /nfs/dbraw/zinc/04/21/18/462042118.db2.gz SXFWBTQDACEZBG-QUCCMNQESA-N 2 0 328.500 3.400 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1C ZINC000657336957 462055730 /nfs/dbraw/zinc/05/57/30/462055730.db2.gz BVJSLGKHMLRMTF-UHFFFAOYSA-N 2 0 326.488 3.394 20 0 EGADRP CCCOc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)c(C)c1 ZINC000657347439 462063149 /nfs/dbraw/zinc/06/31/49/462063149.db2.gz RLDOAADQHYFQIW-SFHVURJKSA-N 2 0 347.547 3.147 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657348116 462063244 /nfs/dbraw/zinc/06/32/44/462063244.db2.gz KXFXMQCJPISSBE-QUCCMNQESA-N 2 0 332.488 3.064 20 0 EGADRP Cc1nc2ccccn2c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613733 462203705 /nfs/dbraw/zinc/20/37/05/462203705.db2.gz QFHWKMHAJZKJJP-UHFFFAOYSA-N 2 0 349.482 3.040 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667681571 462211977 /nfs/dbraw/zinc/21/19/77/462211977.db2.gz MBLGIVIFHONADK-MRXNPFEDSA-N 2 0 333.501 3.229 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1C ZINC000667687338 462214775 /nfs/dbraw/zinc/21/47/75/462214775.db2.gz JRBJYWVEEZVFFQ-CQSZACIVSA-N 2 0 330.501 3.443 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731260 462235671 /nfs/dbraw/zinc/23/56/71/462235671.db2.gz OPWNHNUDBWHNDE-HNAYVOBHSA-N 2 0 338.455 3.102 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000667732099 462236457 /nfs/dbraw/zinc/23/64/57/462236457.db2.gz AHTLVZNSYDLPEC-UHFFFAOYSA-N 2 0 344.503 3.456 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)s2)cn1 ZINC000657813647 462279777 /nfs/dbraw/zinc/27/97/77/462279777.db2.gz WCRRADRSMJLCRD-UHFFFAOYSA-N 2 0 344.528 3.360 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc3ccncc3s2)CC1 ZINC000657833451 462288360 /nfs/dbraw/zinc/28/83/60/462288360.db2.gz AIVIDASUYRUZHJ-MRXNPFEDSA-N 2 0 346.544 3.365 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)o1 ZINC000667924772 462326462 /nfs/dbraw/zinc/32/64/62/462326462.db2.gz UVAKSYZJFBZDFV-UHFFFAOYSA-N 2 0 335.492 3.068 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000657976869 462334919 /nfs/dbraw/zinc/33/49/19/462334919.db2.gz UREMJQPHQPDVMI-VQIMIIECSA-N 2 0 337.939 3.277 20 0 EGADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(C)C ZINC000658071604 462367424 /nfs/dbraw/zinc/36/74/24/462367424.db2.gz XNVITJMQAANIEZ-OALUTQOASA-N 2 0 338.536 3.059 20 0 EGADRP Oc1cccc2c1CCC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071770 462367467 /nfs/dbraw/zinc/36/74/67/462367467.db2.gz YTVYPGGREKPYHT-HXUWFJFHSA-N 2 0 344.499 3.250 20 0 EGADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000665252915 462370134 /nfs/dbraw/zinc/37/01/34/462370134.db2.gz AFIWKXPFWDPNSG-RTBURBONSA-N 2 0 333.495 3.124 20 0 EGADRP [NH3+][C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c2ccccc21 ZINC000665253826 462370780 /nfs/dbraw/zinc/37/07/80/462370780.db2.gz AMLJUBNPUJUZAT-GEALJGNFSA-N 2 0 325.431 3.006 20 0 EGADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000665257939 462373599 /nfs/dbraw/zinc/37/35/99/462373599.db2.gz ZGWXKESWPRMJMB-RTBURBONSA-N 2 0 333.495 3.124 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090370 462378717 /nfs/dbraw/zinc/37/87/17/462378717.db2.gz GROCXUZSJKLXJH-WMZOPIPTSA-N 2 0 333.520 3.150 20 0 EGADRP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CCN2)cc1 ZINC000665299444 462390629 /nfs/dbraw/zinc/39/06/29/462390629.db2.gz NDQZAHXDDBJEOX-LEWJYISDSA-N 2 0 327.516 3.191 20 0 EGADRP CC1(C)C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C(C)(C)O1 ZINC000658166741 462415380 /nfs/dbraw/zinc/41/53/80/462415380.db2.gz OKSSBXRTQGMFCC-SFHVURJKSA-N 2 0 331.504 3.229 20 0 EGADRP CC[N@H+](CCC1CCN(Cc2nc(C3CC3)nn2C)CC1)CC(C)C ZINC000645845565 462443305 /nfs/dbraw/zinc/44/33/05/462443305.db2.gz SYTQMMVWOUIECQ-UHFFFAOYSA-N 2 0 347.551 3.273 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649291286 462469100 /nfs/dbraw/zinc/46/91/00/462469100.db2.gz XLONILZPXJJGMW-IRXDYDNUSA-N 2 0 345.531 3.298 20 0 EGADRP CC[N@H+](CCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1CCCCC1 ZINC000652228074 462479862 /nfs/dbraw/zinc/47/98/62/462479862.db2.gz VPJRZYPHGMJADS-GOSISDBHSA-N 2 0 340.556 3.046 20 0 EGADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355820 462489054 /nfs/dbraw/zinc/48/90/54/462489054.db2.gz KUNANBUHVIOWRY-QGZVFWFLSA-N 2 0 343.515 3.140 20 0 EGADRP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCCC2CC[NH2+]CC2)cn1 ZINC000649412188 462502409 /nfs/dbraw/zinc/50/24/09/462502409.db2.gz SDMSMJHMTBGXKR-FQEVSTJZSA-N 2 0 344.478 3.360 20 0 EGADRP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649413602 462503544 /nfs/dbraw/zinc/50/35/44/462503544.db2.gz PLFZVJYNWCLTRB-SJORKVTESA-N 2 0 326.488 3.406 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000640890011 462529258 /nfs/dbraw/zinc/52/92/58/462529258.db2.gz HUQWJGFENATPAQ-SFHVURJKSA-N 2 0 335.536 3.118 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000130483765 534226393 /nfs/dbraw/zinc/22/63/93/534226393.db2.gz NTWHMLSGDIGSLB-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP Cn1ncc(Cl)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000130924848 534831059 /nfs/dbraw/zinc/83/10/59/534831059.db2.gz CYZDUWQQRDOCKQ-UHFFFAOYSA-N 2 0 338.908 3.137 20 0 EGADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000181681830 527827313 /nfs/dbraw/zinc/82/73/13/527827313.db2.gz GGFRYUYCONUYQQ-WOZUAGRISA-N 2 0 342.527 3.344 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000154552417 529143507 /nfs/dbraw/zinc/14/35/07/529143507.db2.gz KLNLLWBJDNIAOL-QFIPXVFZSA-N 2 0 343.559 3.323 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000154453549 529143772 /nfs/dbraw/zinc/14/37/72/529143772.db2.gz SOFKFWLUDQTITN-OAQYLSRUSA-N 2 0 329.532 3.015 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000338132061 535600965 /nfs/dbraw/zinc/60/09/65/535600965.db2.gz QMGVSAWOGSYTSG-UHFFFAOYSA-N 2 0 333.520 3.188 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000338153698 535601938 /nfs/dbraw/zinc/60/19/38/535601938.db2.gz KWBDFLXEXGAIRS-SFHVURJKSA-N 2 0 345.531 3.379 20 0 EGADRP CC1(C)C[C@@H](NC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000090168469 546654618 /nfs/dbraw/zinc/65/46/18/546654618.db2.gz BZAWARHCEMYPLA-LJQANCHMSA-N 2 0 327.516 3.256 20 0 EGADRP CC1(C)C[C@H](NC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000090168467 546654658 /nfs/dbraw/zinc/65/46/58/546654658.db2.gz BZAWARHCEMYPLA-IBGZPJMESA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(N(C)C)nc2)C1 ZINC000120635138 546716996 /nfs/dbraw/zinc/71/69/96/546716996.db2.gz TXGGASWUGNDGNW-PKOBYXMFSA-N 2 0 330.520 3.234 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904138 546763184 /nfs/dbraw/zinc/76/31/84/546763184.db2.gz GXSZBARNZJRSAL-IRXDYDNUSA-N 2 0 335.561 3.280 20 0 EGADRP CCOC[C@@H]1CCC[N@H+](CC[C@@H](C)[NH+]2CCC[C@H](COCC)C2)C1 ZINC000153494906 546880541 /nfs/dbraw/zinc/88/05/41/546880541.db2.gz SFHCCKPRXNUXSU-AQNXPRMDSA-N 2 0 340.552 3.262 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1)[NH+](C)C ZINC000157712827 546923031 /nfs/dbraw/zinc/92/30/31/546923031.db2.gz ZZSVXUMGXFPAOX-SFHVURJKSA-N 2 0 344.503 3.262 20 0 EGADRP CC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000166068276 546987006 /nfs/dbraw/zinc/98/70/06/546987006.db2.gz KCPHHZIOAYEMSC-NJDAHSKKSA-N 2 0 327.516 3.040 20 0 EGADRP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000166647600 546990450 /nfs/dbraw/zinc/99/04/50/546990450.db2.gz YIFRCOMSAITQOM-ZWKOTPCHSA-N 2 0 332.488 3.243 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000324234662 547471492 /nfs/dbraw/zinc/47/14/92/547471492.db2.gz YJCNKIIBWYTHMN-AWEZNQCLSA-N 2 0 343.437 3.382 20 0 EGADRP Clc1cnc(NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000339072746 547567895 /nfs/dbraw/zinc/56/78/95/547567895.db2.gz YUPJWLIOPZSBIG-STQMWFEESA-N 2 0 329.275 3.017 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000339075618 547568775 /nfs/dbraw/zinc/56/87/75/547568775.db2.gz QOWCPWLPAZFRQM-OALUTQOASA-N 2 0 328.500 3.260 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000339234350 547571604 /nfs/dbraw/zinc/57/16/04/547571604.db2.gz PTBJZEDFUDABSY-SFHVURJKSA-N 2 0 343.515 3.163 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCCC[C@@H]2C)c1 ZINC000339259417 547572596 /nfs/dbraw/zinc/57/25/96/547572596.db2.gz OHDGLUOPUDAWOJ-KRWDZBQOSA-N 2 0 331.504 3.019 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCCC[C@H]2C)c1 ZINC000339259421 547572855 /nfs/dbraw/zinc/57/28/55/547572855.db2.gz OHDGLUOPUDAWOJ-QGZVFWFLSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000390591081 547829220 /nfs/dbraw/zinc/82/92/20/547829220.db2.gz PGPNDNKTDAVXSJ-AYWYSENESA-N 2 0 329.532 3.407 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000414946979 547862664 /nfs/dbraw/zinc/86/26/64/547862664.db2.gz KDXUJZWJPMGSBQ-WCQYABFASA-N 2 0 334.261 3.227 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000415038900 547863400 /nfs/dbraw/zinc/86/34/00/547863400.db2.gz NVEZLXXHSABFTB-DGCLKSJQSA-N 2 0 334.261 3.214 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459438468 547942352 /nfs/dbraw/zinc/94/23/52/547942352.db2.gz HPZWQPIJHHRKRT-RTWAWAEBSA-N 2 0 328.500 3.422 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474924262 547955094 /nfs/dbraw/zinc/95/50/94/547955094.db2.gz IMEKPBQCAHKCMH-XNIRIUNOSA-N 2 0 349.485 3.359 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000484135864 547967550 /nfs/dbraw/zinc/96/75/50/547967550.db2.gz CUGFAIBJTWUEGZ-HXUWFJFHSA-N 2 0 330.516 3.224 20 0 EGADRP CC[C@]1(C)COCC[NH+]1CCCCC[N@H+]1CCOC[C@@]1(C)CC ZINC000535568238 548054311 /nfs/dbraw/zinc/05/43/11/548054311.db2.gz ZHYQKJSPJJTDHB-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1(C)C ZINC000674677561 548780852 /nfs/dbraw/zinc/78/08/52/548780852.db2.gz LRNPLPAZLKETEA-RTBURBONSA-N 2 0 332.488 3.064 20 0 EGADRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000675742997 548972844 /nfs/dbraw/zinc/97/28/44/548972844.db2.gz YNKSFAJQGJPCPM-LJQANCHMSA-N 2 0 333.520 3.152 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC000675792631 548982103 /nfs/dbraw/zinc/98/21/03/548982103.db2.gz NPIBXTCMDIPNMI-UHFFFAOYSA-N 2 0 331.504 3.128 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](CC3CC3)c3ccccc3)C2)CC1 ZINC000675876681 548995243 /nfs/dbraw/zinc/99/52/43/548995243.db2.gz ZGENDJQSKIOKDS-CTNGQTDRSA-N 2 0 327.516 3.286 20 0 EGADRP CC(C)CO[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678336933 549471970 /nfs/dbraw/zinc/47/19/70/549471970.db2.gz NTJAQONJYJPJSM-NRFANRHFSA-N 2 0 346.515 3.408 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678765902 549556130 /nfs/dbraw/zinc/55/61/30/549556130.db2.gz IQQLDSNGJRPBGX-WIYYLYMNSA-N 2 0 329.532 3.317 20 0 EGADRP CC(C)c1ccc(CC[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000681115055 549956539 /nfs/dbraw/zinc/95/65/39/549956539.db2.gz KJTQDTVDNYWMDN-FQEVSTJZSA-N 2 0 329.532 3.111 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681138734 549959566 /nfs/dbraw/zinc/95/95/66/549959566.db2.gz YUNVRNIDLIYWBR-NQIIRXRSSA-N 2 0 341.543 3.439 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000681758118 550033596 /nfs/dbraw/zinc/03/35/96/550033596.db2.gz BWIGPLUYKJFZAR-HXUWFJFHSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@@H]1CCSCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683001928 550176889 /nfs/dbraw/zinc/17/68/89/550176889.db2.gz ZSJXGVMFMSSICR-QGZVFWFLSA-N 2 0 334.529 3.489 20 0 EGADRP C[NH+](C)[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000683358841 550221621 /nfs/dbraw/zinc/22/16/21/550221621.db2.gz BFJOZAVUDLUMPD-FQEVSTJZSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccnn1C ZINC000683692206 550254408 /nfs/dbraw/zinc/25/44/08/550254408.db2.gz MZXMYZYJBAEHRW-FRYIKTPZSA-N 2 0 338.499 3.371 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000684953456 550387809 /nfs/dbraw/zinc/38/78/09/550387809.db2.gz GAQGDDOKWJQPEE-RTBURBONSA-N 2 0 344.547 3.032 20 0 EGADRP CSc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685848004 550447688 /nfs/dbraw/zinc/44/76/88/550447688.db2.gz LNCLHQQTGYREFD-OAHLLOKOSA-N 2 0 339.574 3.070 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000732136798 575239175 /nfs/dbraw/zinc/23/91/75/575239175.db2.gz WQXCYTAXDMJCTQ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000742794232 576795578 /nfs/dbraw/zinc/79/55/78/576795578.db2.gz VIDPMCYMVINIIM-FQEVSTJZSA-N 2 0 345.531 3.231 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000691658943 1298136628 /nfs/dbraw/zinc/13/66/28/1298136628.db2.gz FISDUZXYQIKULR-JKSUJKDBSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(F)c3)cc2)CC1 ZINC000061070142 1291959333 /nfs/dbraw/zinc/95/93/33/1291959333.db2.gz KNMOOJWVCWQAKO-UHFFFAOYSA-N 2 0 341.474 3.253 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000066877118 1292131904 /nfs/dbraw/zinc/13/19/04/1292131904.db2.gz UISHEOBOCKUQQP-UHFFFAOYSA-N 2 0 346.478 3.276 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000068448122 1292202432 /nfs/dbraw/zinc/20/24/32/1292202432.db2.gz NGUHXRKIXXJQDJ-IBGZPJMESA-N 2 0 331.504 3.012 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000069160459 1292234101 /nfs/dbraw/zinc/23/41/01/1292234101.db2.gz ZJVYCRHARLUYKX-AWEZNQCLSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863694 1292389649 /nfs/dbraw/zinc/38/96/49/1292389649.db2.gz ORUILZOHLPYZPN-QUCCMNQESA-N 2 0 335.536 3.055 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000075780962 1292411040 /nfs/dbraw/zinc/41/10/40/1292411040.db2.gz KWVBMPIJWLPCLZ-LJQANCHMSA-N 2 0 338.499 3.122 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(C(=O)NC)cc2)c1 ZINC000075809930 1292412311 /nfs/dbraw/zinc/41/23/11/1292412311.db2.gz AGJHYHXUBBIUPJ-UHFFFAOYSA-N 2 0 339.483 3.178 20 0 EGADRP CCC(=O)N1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000089136117 1292757595 /nfs/dbraw/zinc/75/75/95/1292757595.db2.gz LTMCUUMOXORKDF-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP CCC(=O)N1CCC([NH2+]Cc2ccccc2C[NH+](CC)CC)CC1 ZINC000089136100 1292757628 /nfs/dbraw/zinc/75/76/28/1292757628.db2.gz NLPAVICUKYGTIA-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP CCOC(=O)N1CCC([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000089158002 1292758444 /nfs/dbraw/zinc/75/84/44/1292758444.db2.gz TXMRFPOMJYKCKO-KRWDZBQOSA-N 2 0 347.503 3.108 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccc(Br)cc1 ZINC000843361602 1321505901 /nfs/dbraw/zinc/50/59/01/1321505901.db2.gz HRUFTAIIGANHSH-GOOCMWNKSA-N 2 0 339.277 3.172 20 0 EGADRP CC(=O)OC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000093454006 1292920230 /nfs/dbraw/zinc/92/02/30/1292920230.db2.gz YOZKUVIXTLMJQV-UHFFFAOYSA-N 2 0 332.488 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000108428296 1293079565 /nfs/dbraw/zinc/07/95/65/1293079565.db2.gz SZVSAQNLTIDEIR-LJQANCHMSA-N 2 0 325.456 3.092 20 0 EGADRP CCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)cn1 ZINC000112096515 1293117109 /nfs/dbraw/zinc/11/71/09/1293117109.db2.gz QKQSOAYBGWKXJE-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000123616887 1293449889 /nfs/dbraw/zinc/44/98/89/1293449889.db2.gz LKPXCKUDPFZSEI-SFHVURJKSA-N 2 0 329.513 3.414 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4cnccn34)cc2)C1 ZINC000156609022 1294150988 /nfs/dbraw/zinc/15/09/88/1294150988.db2.gz FZUMEEHXGWCKNT-KRWDZBQOSA-N 2 0 349.482 3.251 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000178411136 1294733975 /nfs/dbraw/zinc/73/39/75/1294733975.db2.gz KZWMVQHWRDYROG-QGZVFWFLSA-N 2 0 329.488 3.340 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000180013842 1294851485 /nfs/dbraw/zinc/85/14/85/1294851485.db2.gz VHOBPZRHKVWURE-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000180457931 1294891468 /nfs/dbraw/zinc/89/14/68/1294891468.db2.gz MZXSUEZIFLXJAP-INIZCTEOSA-N 2 0 330.394 3.201 20 0 EGADRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000187187655 1295373995 /nfs/dbraw/zinc/37/39/95/1295373995.db2.gz UIVCZWKBHHHJQK-OLZOCXBDSA-N 2 0 341.293 3.456 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194424837 1295975391 /nfs/dbraw/zinc/97/53/91/1295975391.db2.gz WALRGDLDASAVOL-SJLPKXTDSA-N 2 0 347.478 3.311 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870865662 1296121138 /nfs/dbraw/zinc/12/11/38/1296121138.db2.gz BOZOZIDAWBUFBP-AHRSYUTCSA-N 2 0 343.515 3.195 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000226336563 1296138650 /nfs/dbraw/zinc/13/86/50/1296138650.db2.gz NLMXJHULBDMERA-JKSUJKDBSA-N 2 0 327.513 3.142 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000870974630 1296162906 /nfs/dbraw/zinc/16/29/06/1296162906.db2.gz MGXYLPOEEOHBMZ-FNLKRUPLSA-N 2 0 343.515 3.179 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000236704248 1296197233 /nfs/dbraw/zinc/19/72/33/1296197233.db2.gz NGVQUHUEFHLNNM-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnc(C)s3)CC2)cc1 ZINC000237291122 1296233565 /nfs/dbraw/zinc/23/35/65/1296233565.db2.gz LCFMZIOPAQSMKT-UHFFFAOYSA-N 2 0 345.512 3.462 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3)cc2)C1 ZINC000237688358 1296259342 /nfs/dbraw/zinc/25/93/42/1296259342.db2.gz SAAACAHHOULGOQ-CALCHBBNSA-N 2 0 326.488 3.188 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000248163956 1296406883 /nfs/dbraw/zinc/40/68/83/1296406883.db2.gz NIPFBUSOFKGTBW-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000261614128 1296596078 /nfs/dbraw/zinc/59/60/78/1296596078.db2.gz FCFQEAQFPRHSLM-FUHWJXTLSA-N 2 0 329.488 3.214 20 0 EGADRP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000261993772 1296613954 /nfs/dbraw/zinc/61/39/54/1296613954.db2.gz MZDCDCIFABJNCJ-INIZCTEOSA-N 2 0 331.504 3.460 20 0 EGADRP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262075732 1296617080 /nfs/dbraw/zinc/61/70/80/1296617080.db2.gz DFKLPUBPZBKSEY-SFHVURJKSA-N 2 0 341.524 3.203 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000301962848 1296795623 /nfs/dbraw/zinc/79/56/23/1296795623.db2.gz PNUJLPBIYYMCMV-DLBZAZTESA-N 2 0 339.524 3.144 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000304727494 1296937847 /nfs/dbraw/zinc/93/78/47/1296937847.db2.gz RWGAMBMFJQNTQI-UHFFFAOYSA-N 2 0 346.421 3.211 20 0 EGADRP CSc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000305162944 1296989260 /nfs/dbraw/zinc/98/92/60/1296989260.db2.gz RTJKJTZIEHADLG-RBUKOAKNSA-N 2 0 334.529 3.266 20 0 EGADRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000305344551 1297011269 /nfs/dbraw/zinc/01/12/69/1297011269.db2.gz XPHHNACDZGXEKH-SJORKVTESA-N 2 0 341.540 3.484 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000309965215 1297079658 /nfs/dbraw/zinc/07/96/58/1297079658.db2.gz DJSZLUUVVYAXSL-UHFFFAOYSA-N 2 0 347.503 3.109 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000310045491 1297083712 /nfs/dbraw/zinc/08/37/12/1297083712.db2.gz ZEWYUGNIPLLWDQ-IRXDYDNUSA-N 2 0 341.540 3.390 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000310191951 1297090993 /nfs/dbraw/zinc/09/09/93/1297090993.db2.gz QGEUZGOWLNEUHI-GHTZIAJQSA-N 2 0 329.532 3.359 20 0 EGADRP CN(C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000311094102 1297103657 /nfs/dbraw/zinc/10/36/57/1297103657.db2.gz IUPLOLNLONXULY-UXHICEINSA-N 2 0 343.515 3.017 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310944440 1297103691 /nfs/dbraw/zinc/10/36/91/1297103691.db2.gz XDKWGGNIZBRWQG-GHTZIAJQSA-N 2 0 342.458 3.361 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1)[NH+]1CCCC1 ZINC000340173037 1297309385 /nfs/dbraw/zinc/30/93/85/1297309385.db2.gz FMGWTWMNJJEQEU-AFYVEPGGSA-N 2 0 347.551 3.498 20 0 EGADRP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206207 1297352720 /nfs/dbraw/zinc/35/27/20/1297352720.db2.gz XGIKVKGSNFVYBP-AZUAARDMSA-N 2 0 342.508 3.482 20 0 EGADRP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206210 1297353205 /nfs/dbraw/zinc/35/32/05/1297353205.db2.gz XGIKVKGSNFVYBP-UYAOXDASSA-N 2 0 342.508 3.482 20 0 EGADRP C[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc2[nH]c(=O)oc2c1 ZINC000873217362 1297359137 /nfs/dbraw/zinc/35/91/37/1297359137.db2.gz JZXMRLJDZJVRLG-JTQLQIEISA-N 2 0 329.425 3.091 20 0 EGADRP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232181 1297373414 /nfs/dbraw/zinc/37/34/14/1297373414.db2.gz BHYGUTHZNMXZHC-GOSISDBHSA-N 2 0 328.504 3.084 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCSc3ccc(Br)cc32)C1 ZINC000873257016 1297393149 /nfs/dbraw/zinc/39/31/49/1297393149.db2.gz CYODFVDRRBHGKR-IRUJWGPZSA-N 2 0 327.291 3.313 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000873259910 1297394933 /nfs/dbraw/zinc/39/49/33/1297394933.db2.gz OJSFUCYWWISIKK-QAMTZSDWSA-N 2 0 342.487 3.152 20 0 EGADRP Fc1ccc([C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccnc2)cc1 ZINC000873265470 1297398029 /nfs/dbraw/zinc/39/80/29/1297398029.db2.gz VOUCXIBMFYOQPX-WBCYEJBOSA-N 2 0 325.431 3.430 20 0 EGADRP c1nn2ccccc2c1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385662705 1297585318 /nfs/dbraw/zinc/58/53/18/1297585318.db2.gz YAHIPJPNGNSMTR-LJQANCHMSA-N 2 0 334.467 3.336 20 0 EGADRP CC1CC[NH+](CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000390721800 1297631788 /nfs/dbraw/zinc/63/17/88/1297631788.db2.gz BUSXRARUKQASBR-UHFFFAOYSA-N 2 0 327.513 3.001 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000391872006 1297648452 /nfs/dbraw/zinc/64/84/52/1297648452.db2.gz UVIFOYUFBVJKTR-DJIMGWMZSA-N 2 0 342.405 3.155 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000396466142 1297687551 /nfs/dbraw/zinc/68/75/51/1297687551.db2.gz SWJLLAHKMRLEHD-HZPDHXFCSA-N 2 0 341.540 3.390 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1)C(C)C ZINC000874840610 1298120959 /nfs/dbraw/zinc/12/09/59/1298120959.db2.gz PQCGRKAOJKYRRC-WOJBJXKFSA-N 2 0 343.515 3.226 20 0 EGADRP C[N@H+](CCCCCC[NH3+])CCOc1ccc(Br)cc1 ZINC000710837977 1298257844 /nfs/dbraw/zinc/25/78/44/1298257844.db2.gz ZGZHUOSLMOQNBW-UHFFFAOYSA-N 2 0 329.282 3.279 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724068610 1298347433 /nfs/dbraw/zinc/34/74/33/1298347433.db2.gz MHAATZLMZMEYJY-GVDBMIGSSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000725893334 1298382997 /nfs/dbraw/zinc/38/29/97/1298382997.db2.gz XHTZEHOZOGKYGP-KURKYZTESA-N 2 0 349.563 3.409 20 0 EGADRP Clc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000876991470 1299104231 /nfs/dbraw/zinc/10/42/31/1299104231.db2.gz YOROAETYCWNMIV-UHFFFAOYSA-N 2 0 336.892 3.193 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000877137075 1299176671 /nfs/dbraw/zinc/17/66/71/1299176671.db2.gz RHERVWQXGYYBLR-HBMCJLEFSA-N 2 0 349.478 3.494 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877200995 1299204998 /nfs/dbraw/zinc/20/49/98/1299204998.db2.gz BEMGVLNNDFZYLP-UHFFFAOYSA-N 2 0 345.531 3.170 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000877447227 1299307365 /nfs/dbraw/zinc/30/73/65/1299307365.db2.gz BJYBZJSNUGZAIQ-IZBJGVDFSA-N 2 0 349.563 3.158 20 0 EGADRP ClC1(Cl)C[C@@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000877624758 1299439559 /nfs/dbraw/zinc/43/95/59/1299439559.db2.gz DUWYUZXSJWQTOT-OAHLLOKOSA-N 2 0 328.287 3.077 20 0 EGADRP C[C@@H](CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000753769219 1300017791 /nfs/dbraw/zinc/01/77/91/1300017791.db2.gz KDTIZJSTURVZCY-DLBZAZTESA-N 2 0 339.524 3.240 20 0 EGADRP O[C@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2o1 ZINC000878746554 1300172068 /nfs/dbraw/zinc/17/20/68/1300172068.db2.gz CIKCUDXDPSKBKN-GOSISDBHSA-N 2 0 337.423 3.074 20 0 EGADRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000757652634 1300704324 /nfs/dbraw/zinc/70/43/24/1300704324.db2.gz TWARAWVZJWCXND-UHFFFAOYSA-N 2 0 332.488 3.080 20 0 EGADRP CN(C[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760837638 1301348353 /nfs/dbraw/zinc/34/83/53/1301348353.db2.gz ZUUFZNWHNNEZMB-IAGOWNOFSA-N 2 0 339.524 3.050 20 0 EGADRP CN(C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760837636 1301348930 /nfs/dbraw/zinc/34/89/30/1301348930.db2.gz ZUUFZNWHNNEZMB-DLBZAZTESA-N 2 0 339.524 3.050 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccccc2N2CCCCC2)CCCO1 ZINC000762485052 1301687703 /nfs/dbraw/zinc/68/77/03/1301687703.db2.gz YDFYQHMJVZLLOT-IBGZPJMESA-N 2 0 345.531 3.267 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC000762652190 1301723171 /nfs/dbraw/zinc/72/31/71/1301723171.db2.gz WQRXZSXTYLIYFQ-MSOLQXFVSA-N 2 0 334.504 3.464 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000763409888 1301897749 /nfs/dbraw/zinc/89/77/49/1301897749.db2.gz KHOGPIHNOWTOAE-RMVXJAJNSA-N 2 0 348.531 3.225 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N(C)CC)[C@H](C)C1 ZINC000765851108 1302339958 /nfs/dbraw/zinc/33/99/58/1302339958.db2.gz YEYURVYJGKDVDQ-QUCCMNQESA-N 2 0 347.547 3.369 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000883387852 1302426188 /nfs/dbraw/zinc/42/61/88/1302426188.db2.gz GMXLNZKLJKZDNA-DOTOQJQBSA-N 2 0 329.444 3.334 20 0 EGADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369467 1302653478 /nfs/dbraw/zinc/65/34/78/1302653478.db2.gz FIUFIBHVJGXFRH-IRXDYDNUSA-N 2 0 339.524 3.192 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000884218333 1302774227 /nfs/dbraw/zinc/77/42/27/1302774227.db2.gz LRGDSWCDBURQEU-IHPCNDPISA-N 2 0 345.531 3.132 20 0 EGADRP CCC(CC)[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000885919021 1303276501 /nfs/dbraw/zinc/27/65/01/1303276501.db2.gz HRJWEYWHSHNYQH-RTBURBONSA-N 2 0 338.536 3.205 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885922902 1303277804 /nfs/dbraw/zinc/27/78/04/1303277804.db2.gz LAQORHQGMCWBMF-FQEVSTJZSA-N 2 0 346.515 3.345 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1)CC1CC1 ZINC000770687349 1303306785 /nfs/dbraw/zinc/30/67/85/1303306785.db2.gz QKCBQOYJTCEQEO-FQEVSTJZSA-N 2 0 347.547 3.036 20 0 EGADRP CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886529098 1303488689 /nfs/dbraw/zinc/48/86/89/1303488689.db2.gz WJWXXFQPTCAQNJ-FFEBTUMSSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)O2)CO1 ZINC000886769549 1303591217 /nfs/dbraw/zinc/59/12/17/1303591217.db2.gz WXLLGNYBHDAJSB-JMQGBQJESA-N 2 0 336.520 3.100 20 0 EGADRP C[C@@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000772951954 1303597516 /nfs/dbraw/zinc/59/75/16/1303597516.db2.gz PUHUSYKKPYZJEB-PWSUYJOCSA-N 2 0 330.259 3.004 20 0 EGADRP CC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)C1 ZINC000773269726 1303652338 /nfs/dbraw/zinc/65/23/38/1303652338.db2.gz FITFWPIHEWODJG-GOSISDBHSA-N 2 0 337.552 3.282 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1)CC(C)C ZINC000773270499 1303652757 /nfs/dbraw/zinc/65/27/57/1303652757.db2.gz GWHVUJHVTGBZPH-FQEVSTJZSA-N 2 0 349.563 3.282 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000773416334 1303676360 /nfs/dbraw/zinc/67/63/60/1303676360.db2.gz PGGMKOWPQXPUHM-LJQANCHMSA-N 2 0 346.515 3.420 20 0 EGADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000887133383 1303686007 /nfs/dbraw/zinc/68/60/07/1303686007.db2.gz ZQPDIBYPHWGTFE-OAHLLOKOSA-N 2 0 334.423 3.046 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000775011298 1303888193 /nfs/dbraw/zinc/88/81/93/1303888193.db2.gz IMSFOPMEPKGXLG-INIZCTEOSA-N 2 0 341.540 3.391 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000775011301 1303888523 /nfs/dbraw/zinc/88/85/23/1303888523.db2.gz IMSFOPMEPKGXLG-MRXNPFEDSA-N 2 0 341.540 3.391 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775374372 1303948179 /nfs/dbraw/zinc/94/81/79/1303948179.db2.gz BGXNZMGWJUIRTK-IXDOHACOSA-N 2 0 328.591 3.468 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)ccc1OC ZINC000775385858 1303952829 /nfs/dbraw/zinc/95/28/29/1303952829.db2.gz AMJIXBZHOADYAK-YWZLYKJASA-N 2 0 334.504 3.349 20 0 EGADRP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781203285 1304790645 /nfs/dbraw/zinc/79/06/45/1304790645.db2.gz DAIVEUDMTKIABK-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)cc1 ZINC000892462199 1305387632 /nfs/dbraw/zinc/38/76/32/1305387632.db2.gz MFQWMJJTNFWGFN-UHFFFAOYSA-N 2 0 326.488 3.429 20 0 EGADRP Cc1cc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cnc1F ZINC000892676827 1305502129 /nfs/dbraw/zinc/50/21/29/1305502129.db2.gz PRZHUENDEQYUST-INIZCTEOSA-N 2 0 343.446 3.040 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000892750303 1305539015 /nfs/dbraw/zinc/53/90/15/1305539015.db2.gz UPOLZPBYBUQNCX-SFHVURJKSA-N 2 0 334.504 3.204 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)[NH+]1CCCCC1 ZINC000786912344 1305654414 /nfs/dbraw/zinc/65/44/14/1305654414.db2.gz RFRXYTVKGXLPID-IRXDYDNUSA-N 2 0 344.503 3.131 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000893226998 1305773750 /nfs/dbraw/zinc/77/37/50/1305773750.db2.gz VOMRONUMFCCSSW-WIYYLYMNSA-N 3 0 329.532 3.219 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000788025793 1305847500 /nfs/dbraw/zinc/84/75/00/1305847500.db2.gz UMDQQJAMCLNMRM-KRWDZBQOSA-N 2 0 342.405 3.421 20 0 EGADRP COc1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000788474874 1305951062 /nfs/dbraw/zinc/95/10/62/1305951062.db2.gz KTCQSEOIEJQHMT-LJQANCHMSA-N 2 0 332.488 3.018 20 0 EGADRP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000788488644 1305952706 /nfs/dbraw/zinc/95/27/06/1305952706.db2.gz RMQYERCSCBHMHO-LJQANCHMSA-N 2 0 328.456 3.157 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000893685298 1306028972 /nfs/dbraw/zinc/02/89/72/1306028972.db2.gz LDKFRMUMACRDCE-HNNXBMFYSA-N 2 0 341.421 3.216 20 0 EGADRP CC(C)(C)[C@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364154 1306307771 /nfs/dbraw/zinc/30/77/71/1306307771.db2.gz FAZCNVVRULTQOV-OXJNMPFZSA-N 2 0 349.519 3.009 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000790748969 1308858438 /nfs/dbraw/zinc/85/84/38/1308858438.db2.gz SROCXLGTENMENH-JKSUJKDBSA-N 2 0 341.540 3.390 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)cc1 ZINC000895657889 1309450751 /nfs/dbraw/zinc/45/07/51/1309450751.db2.gz GQNNSEYQWWVGAK-HXUWFJFHSA-N 2 0 342.483 3.229 20 0 EGADRP COCCc1ncc(C[N@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000895683689 1309464450 /nfs/dbraw/zinc/46/44/50/1309464450.db2.gz SIGFAPFZAWIZQV-UHFFFAOYSA-N 2 0 325.522 3.030 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895693872 1309469029 /nfs/dbraw/zinc/46/90/29/1309469029.db2.gz NXNKDKUUYAHJFN-UZLBHIALSA-N 2 0 338.499 3.155 20 0 EGADRP c1cn(C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)cn1 ZINC000895707847 1309479572 /nfs/dbraw/zinc/47/95/72/1309479572.db2.gz WJXBSDGSXYLMAX-NRFANRHFSA-N 2 0 347.466 3.278 20 0 EGADRP CC[NH+]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2F)CC1 ZINC000895862641 1309568073 /nfs/dbraw/zinc/56/80/73/1309568073.db2.gz ZJCIFLMBRAPZCM-AYHJJNSGSA-N 2 0 346.494 3.005 20 0 EGADRP CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000796449297 1310002455 /nfs/dbraw/zinc/00/24/55/1310002455.db2.gz HFIWQCPSEGLJJT-NRFANRHFSA-N 2 0 342.483 3.013 20 0 EGADRP CN(CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000797964846 1310277189 /nfs/dbraw/zinc/27/71/89/1310277189.db2.gz FIXKNXOTAWMDCQ-QGZVFWFLSA-N 2 0 339.524 3.051 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)CC1 ZINC000798956755 1310463430 /nfs/dbraw/zinc/46/34/30/1310463430.db2.gz NDHFBKGJQOXHMT-UHFFFAOYSA-N 2 0 332.879 3.296 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000798963467 1310465668 /nfs/dbraw/zinc/46/56/68/1310465668.db2.gz CEIDFSKIRUHWBE-GOSISDBHSA-N 2 0 325.456 3.012 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]Cc2ncc(Cl)n2C)C[N@@H+]1Cc1ccccc1 ZINC000799340158 1310529274 /nfs/dbraw/zinc/52/92/74/1310529274.db2.gz GUBBUJVXCHUDAV-RDJZCZTQSA-N 2 0 346.906 3.464 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000898391657 1310705922 /nfs/dbraw/zinc/70/59/22/1310705922.db2.gz JPKHBSOCTFJSKO-HUJKARHJSA-N 2 0 328.500 3.277 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)c2)C1 ZINC000857303715 1328527657 /nfs/dbraw/zinc/52/76/57/1328527657.db2.gz YUEPEKKPTFRQQW-RTBURBONSA-N 2 0 343.515 3.098 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001018968024 1316989139 /nfs/dbraw/zinc/98/91/39/1316989139.db2.gz PTWUJPGMWOSBJL-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001018971759 1316990984 /nfs/dbraw/zinc/99/09/84/1316990984.db2.gz RHYUCUNDCQORAT-YOEHRIQHSA-N 2 0 349.906 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018990786 1316995593 /nfs/dbraw/zinc/99/55/93/1316995593.db2.gz PQFDSELMXVSWOX-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900013547 1317217789 /nfs/dbraw/zinc/21/77/89/1317217789.db2.gz KPMQIYZARIRWKS-YESZJQIVSA-N 2 0 347.528 3.018 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019820531 1317439626 /nfs/dbraw/zinc/43/96/26/1317439626.db2.gz OHMLDJIPCXJSDW-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000957568897 1317467614 /nfs/dbraw/zinc/46/76/14/1317467614.db2.gz SDSXUFSNBCLANB-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC2)CC1 ZINC000957571407 1317469364 /nfs/dbraw/zinc/46/93/64/1317469364.db2.gz QLEAMUXXRREDLF-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957573413 1317471174 /nfs/dbraw/zinc/47/11/74/1317471174.db2.gz XEVGUMBCGQQZPQ-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)CC1 ZINC000957585441 1317478199 /nfs/dbraw/zinc/47/81/99/1317478199.db2.gz AQEWMMISVAFQBS-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CNc1ccccc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000902205742 1317543479 /nfs/dbraw/zinc/54/34/79/1317543479.db2.gz DXIOCGRCTZQRGD-UHFFFAOYSA-N 2 0 327.472 3.001 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020144188 1317559649 /nfs/dbraw/zinc/55/96/49/1317559649.db2.gz TYVLJORJSXKZGK-MLYOOKFZSA-N 2 0 343.515 3.166 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001020156288 1317567090 /nfs/dbraw/zinc/56/70/90/1317567090.db2.gz FEVAHRMZGXGKKO-GUDVDZBRSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000902439935 1317578567 /nfs/dbraw/zinc/57/85/67/1317578567.db2.gz VIUXBZNUTAUCLX-JCXROGDPSA-N 2 0 335.495 3.111 20 0 EGADRP CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000957720805 1317588277 /nfs/dbraw/zinc/58/82/77/1317588277.db2.gz XVUIVICOWHQPML-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000957728730 1317594292 /nfs/dbraw/zinc/59/42/92/1317594292.db2.gz WHWYYVFBCJXZOM-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001020286037 1317626779 /nfs/dbraw/zinc/62/67/79/1317626779.db2.gz QHBWFNYSNKZSQM-WGSAOQKQSA-N 2 0 347.547 3.070 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C[C@](C)(CC)CC2=O)CC1)CC1CC1 ZINC000808174370 1317638492 /nfs/dbraw/zinc/63/84/92/1317638492.db2.gz GHEFRBRLTFMZGA-OAQYLSRUSA-N 2 0 349.563 3.427 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C2 ZINC000903116351 1317656043 /nfs/dbraw/zinc/65/60/43/1317656043.db2.gz HJFYHNRINSYGOY-IQRYMVJYSA-N 2 0 338.442 3.095 20 0 EGADRP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000903119474 1317656700 /nfs/dbraw/zinc/65/67/00/1317656700.db2.gz SAFJIDWLFOSAPH-ZLJHSHKTSA-N 2 0 336.545 3.441 20 0 EGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Cl)c(F)c1 ZINC000903128806 1317659146 /nfs/dbraw/zinc/65/91/46/1317659146.db2.gz BNQJALORQXZVFX-BDCDKBNASA-N 2 0 338.854 3.260 20 0 EGADRP O[C@@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000903408514 1317697829 /nfs/dbraw/zinc/69/78/29/1317697829.db2.gz RXHMLVDLDXJXGB-VTHDOGFWSA-N 2 0 328.500 3.323 20 0 EGADRP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)c1cccc(OC)c1 ZINC000903723098 1317724148 /nfs/dbraw/zinc/72/41/48/1317724148.db2.gz SWDIKXSWYDPZMG-QFBILLFUSA-N 2 0 332.488 3.237 20 0 EGADRP C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728379 1317726060 /nfs/dbraw/zinc/72/60/60/1317726060.db2.gz ABVOLZLBEXJGFB-PMACEKPBSA-N 2 0 328.500 3.199 20 0 EGADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733242 1317726765 /nfs/dbraw/zinc/72/67/65/1317726765.db2.gz JCRFTFCDNWNCRJ-AYBZRNKSSA-N 2 0 332.463 3.162 20 0 EGADRP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734500 1317727677 /nfs/dbraw/zinc/72/76/77/1317727677.db2.gz RPCYIOHVDGJXJB-QAPCUYQASA-N 2 0 336.907 3.362 20 0 EGADRP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735416 1317728759 /nfs/dbraw/zinc/72/87/59/1317728759.db2.gz ZSEBTLDPZQECFP-MDZRGWNJSA-N 2 0 332.463 3.367 20 0 EGADRP CC(C)Oc1cccc(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903755607 1317729344 /nfs/dbraw/zinc/72/93/44/1317729344.db2.gz JVTLICQEXXDJRQ-LJQANCHMSA-N 2 0 332.488 3.064 20 0 EGADRP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](C[C@@H]4CCCC[NH2+]C4)C3)n2)cc1 ZINC000903755475 1317729366 /nfs/dbraw/zinc/72/93/66/1317729366.db2.gz HUGYZILFMCLFGN-SJLPKXTDSA-N 2 0 339.487 3.041 20 0 EGADRP CC(C)Oc1cccc(C[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903755605 1317729486 /nfs/dbraw/zinc/72/94/86/1317729486.db2.gz JVTLICQEXXDJRQ-IBGZPJMESA-N 2 0 332.488 3.064 20 0 EGADRP Clc1ccc2c(c1Cl)CN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765447 1317730566 /nfs/dbraw/zinc/73/05/66/1317730566.db2.gz HIKLDJKMEUXAJO-SUMWQHHRSA-N 2 0 341.282 3.120 20 0 EGADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1)C(C)C ZINC000903793442 1317734807 /nfs/dbraw/zinc/73/48/07/1317734807.db2.gz DEBVTDVFTXAJAT-SFHVURJKSA-N 2 0 345.531 3.013 20 0 EGADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000903885414 1317741480 /nfs/dbraw/zinc/74/14/80/1317741480.db2.gz HGDSXKGFNXZWMR-UYAOXDASSA-N 2 0 339.487 3.320 20 0 EGADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000903885413 1317741678 /nfs/dbraw/zinc/74/16/78/1317741678.db2.gz HGDSXKGFNXZWMR-QUCCMNQESA-N 2 0 339.487 3.320 20 0 EGADRP CCC[N@@H+](CC(=O)Nc1ccccc1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905941 1317746302 /nfs/dbraw/zinc/74/63/02/1317746302.db2.gz PXZWVGLCLJOOIX-AYHJJNSGSA-N 2 0 329.488 3.176 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC(C)(C)[NH3+] ZINC000903940058 1317751334 /nfs/dbraw/zinc/75/13/34/1317751334.db2.gz UZMCOIZYLSXTME-LLVKDONJSA-N 2 0 331.382 3.140 20 0 EGADRP C[C@]1(C[NH2+]CCCc2nc(-c3ccncc3)cs2)CCC[NH2+]C1 ZINC000904364537 1317836825 /nfs/dbraw/zinc/83/68/25/1317836825.db2.gz MRLQZZHCHDMSCO-GOSISDBHSA-N 2 0 330.501 3.117 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1 ZINC000904380404 1317840228 /nfs/dbraw/zinc/84/02/28/1317840228.db2.gz LWMNMJAPXANOKQ-LNSITVRQSA-N 2 0 341.318 3.353 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000904404633 1317842527 /nfs/dbraw/zinc/84/25/27/1317842527.db2.gz BCEMORSGKQOPKI-LBPRGKRZSA-N 2 0 349.276 3.010 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001020679310 1317857735 /nfs/dbraw/zinc/85/77/35/1317857735.db2.gz MHWZEYGWWFBXFU-HNJRGHQBSA-N 2 0 349.563 3.172 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000904661183 1317878356 /nfs/dbraw/zinc/87/83/56/1317878356.db2.gz QJUONBUJYRQOCK-SFHVURJKSA-N 2 0 344.503 3.312 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc3c2OCCO3)cc1 ZINC000809738983 1317883895 /nfs/dbraw/zinc/88/38/95/1317883895.db2.gz RSGMZBOYUAPSAY-UHFFFAOYSA-N 2 0 326.440 3.151 20 0 EGADRP Cc1nc(C)c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000809970408 1317927474 /nfs/dbraw/zinc/92/74/74/1317927474.db2.gz XXMZKVBLTDVDDF-UHFFFAOYSA-N 2 0 328.460 3.425 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129036 1317958816 /nfs/dbraw/zinc/95/88/16/1317958816.db2.gz RNPZWPUBJBXGKV-SJLPKXTDSA-N 2 0 329.488 3.338 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)CC1 ZINC000905905754 1318016375 /nfs/dbraw/zinc/01/63/75/1318016375.db2.gz PFNVEXMLNQOQPG-GOSISDBHSA-N 2 0 326.431 3.024 20 0 EGADRP OCc1cc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC000858347377 1328741762 /nfs/dbraw/zinc/74/17/62/1328741762.db2.gz WYDHGDIVFIJPEM-GOSISDBHSA-N 2 0 331.847 3.476 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000906586727 1318121364 /nfs/dbraw/zinc/12/13/64/1318121364.db2.gz JHCPPVYLKWLVQE-NHCUHLMSSA-N 2 0 345.506 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001021211016 1318141168 /nfs/dbraw/zinc/14/11/68/1318141168.db2.gz PGAGJCLNXZGKHZ-NXEWRWPSSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021254034 1318159702 /nfs/dbraw/zinc/15/97/02/1318159702.db2.gz FNXUNUOLONAJSY-XVLXNVKGSA-N 2 0 349.563 3.407 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001021434992 1318249105 /nfs/dbraw/zinc/24/91/05/1318249105.db2.gz QTVGRGNURUWLGU-IPQPSQTFSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960008427 1318309168 /nfs/dbraw/zinc/30/91/68/1318309168.db2.gz UDRUQKBOMKIWRL-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1c(C)cccc1C)[NH+](C)C ZINC000960134900 1318374501 /nfs/dbraw/zinc/37/45/01/1318374501.db2.gz FTLOILKYZWLQKY-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC000960156094 1318389577 /nfs/dbraw/zinc/38/95/77/1318389577.db2.gz KTVDUTXOCXWPPE-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC000960187029 1318400336 /nfs/dbraw/zinc/40/03/36/1318400336.db2.gz BXPCGQBSAWMHFM-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637263 1318493358 /nfs/dbraw/zinc/49/33/58/1318493358.db2.gz ZUNMUYMAIYMASB-LPHOPBHVSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670618 1318534745 /nfs/dbraw/zinc/53/47/45/1318534745.db2.gz NEIDDPKELGOBHI-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000813828517 1318639151 /nfs/dbraw/zinc/63/91/51/1318639151.db2.gz UQVQMUOESZUYPQ-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858491127 1328778300 /nfs/dbraw/zinc/77/83/00/1328778300.db2.gz YSMPWPRZEYYFAS-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960663588 1318782082 /nfs/dbraw/zinc/78/20/82/1318782082.db2.gz IBPKVONHMGXHBP-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001022081489 1318792841 /nfs/dbraw/zinc/79/28/41/1318792841.db2.gz HGOCAICPSYUHBK-KDURUIRLSA-N 2 0 347.547 3.378 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001022274204 1318869671 /nfs/dbraw/zinc/86/96/71/1318869671.db2.gz QHBWFNYSNKZSQM-KDURUIRLSA-N 2 0 347.547 3.070 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001022434680 1318940950 /nfs/dbraw/zinc/94/09/50/1318940950.db2.gz LOXFKYOEGZZJPS-RYQLBKOJSA-N 2 0 348.450 3.254 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@@H+]1C ZINC000960824926 1318951441 /nfs/dbraw/zinc/95/14/41/1318951441.db2.gz VVSRLXHHYWEMJN-YTQUADARSA-N 2 0 349.563 3.076 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913160326 1318980891 /nfs/dbraw/zinc/98/08/91/1318980891.db2.gz XXSZAXMNHJCPDD-SFHVURJKSA-N 2 0 340.471 3.038 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)c(C)c1)[NH+](C)C ZINC000960871452 1319015669 /nfs/dbraw/zinc/01/56/69/1319015669.db2.gz XIUABOYTRXUSHG-UXHICEINSA-N 2 0 345.531 3.066 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000815635403 1319032801 /nfs/dbraw/zinc/03/28/01/1319032801.db2.gz BUUUNWBJNKOMLN-CVEARBPZSA-N 2 0 345.487 3.414 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)c1cccc(Cl)c1 ZINC001022711880 1319079305 /nfs/dbraw/zinc/07/93/05/1319079305.db2.gz FOXZIQOEFMWLOQ-DFEHZGFQSA-N 2 0 349.906 3.122 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001022808994 1319118980 /nfs/dbraw/zinc/11/89/80/1319118980.db2.gz DSRYEZQGGYOQIV-QRQLOZEOSA-N 2 0 343.515 3.025 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029820 1319153574 /nfs/dbraw/zinc/15/35/74/1319153574.db2.gz ZRBXTZARCOSOGC-HXUWFJFHSA-N 2 0 347.547 3.286 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022975635 1319198896 /nfs/dbraw/zinc/19/88/96/1319198896.db2.gz PVRPWQDQZGRMPD-ZRNYENFQSA-N 2 0 349.563 3.314 20 0 EGADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000915097946 1319421707 /nfs/dbraw/zinc/42/17/07/1319421707.db2.gz LZLBITAFIXTJFQ-RTBURBONSA-N 2 0 347.547 3.260 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC(=O)CC ZINC000817865684 1319448987 /nfs/dbraw/zinc/44/89/87/1319448987.db2.gz XEFGOVKGSVYMPV-UXLLHSPISA-N 2 0 348.487 3.206 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000817893758 1319453649 /nfs/dbraw/zinc/45/36/49/1319453649.db2.gz HAAQHPRSWVLPLU-IMFGXOCKSA-N 2 0 334.504 3.408 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000817922684 1319462364 /nfs/dbraw/zinc/46/23/64/1319462364.db2.gz KBIAYUVZSAXTTO-KZULUSFZSA-N 2 0 333.863 3.060 20 0 EGADRP OC1(c2cccnc2)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000817925237 1319463455 /nfs/dbraw/zinc/46/34/55/1319463455.db2.gz SUWFTOKWWHHVME-SONFCDGGSA-N 2 0 343.515 3.112 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000817947668 1319473814 /nfs/dbraw/zinc/47/38/14/1319473814.db2.gz FFGYZZLJNPJFQC-INIZCTEOSA-N 2 0 337.467 3.165 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC ZINC000817954762 1319474931 /nfs/dbraw/zinc/47/49/31/1319474931.db2.gz IWASKWFBILIPDR-SJORKVTESA-N 3 0 333.520 3.187 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC ZINC000817954760 1319475273 /nfs/dbraw/zinc/47/52/73/1319475273.db2.gz IWASKWFBILIPDR-IAGOWNOFSA-N 3 0 333.520 3.187 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023364619 1319477199 /nfs/dbraw/zinc/47/71/99/1319477199.db2.gz NBGHBSUIAXODLV-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000817981440 1319485254 /nfs/dbraw/zinc/48/52/54/1319485254.db2.gz JOPBVCIEEPVJDW-KSSFIOAISA-N 2 0 326.444 3.308 20 0 EGADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)ncc1F ZINC000817981503 1319485791 /nfs/dbraw/zinc/48/57/91/1319485791.db2.gz SHMGQVBSFJTNEC-QWRGUYRKSA-N 2 0 330.245 3.166 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000818942756 1319583307 /nfs/dbraw/zinc/58/33/07/1319583307.db2.gz JWAZUBXUVQWSNV-HXUWFJFHSA-N 2 0 330.447 3.491 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000818959422 1319590362 /nfs/dbraw/zinc/59/03/62/1319590362.db2.gz JRUIRYGEZYBYLY-KDOFPFPSSA-N 2 0 326.431 3.100 20 0 EGADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000819049645 1319622484 /nfs/dbraw/zinc/62/24/84/1319622484.db2.gz MQSCFMYWYCWXNR-GOSISDBHSA-N 2 0 326.431 3.244 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819107212 1319635851 /nfs/dbraw/zinc/63/58/51/1319635851.db2.gz WANLTSGYJMLNEO-QGZVFWFLSA-N 2 0 344.421 3.450 20 0 EGADRP O[C@H](CCc1ccccc1)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819143293 1319647773 /nfs/dbraw/zinc/64/77/73/1319647773.db2.gz ZAZRJHDKFCDDDC-XVAXZDLZSA-N 2 0 330.516 3.367 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819151821 1319648733 /nfs/dbraw/zinc/64/87/33/1319648733.db2.gz FLWDBOSZSLJTEE-WMLDXEAASA-N 2 0 344.421 3.306 20 0 EGADRP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000819205528 1319668309 /nfs/dbraw/zinc/66/83/09/1319668309.db2.gz JHSYQFIWTRXJRN-IBGZPJMESA-N 2 0 345.874 3.275 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819366543 1319710472 /nfs/dbraw/zinc/71/04/72/1319710472.db2.gz RREVZLFMIQRTMA-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646222 1319765641 /nfs/dbraw/zinc/76/56/41/1319765641.db2.gz KEYTZQQZXXMUIY-PKOBYXMFSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962024725 1319803088 /nfs/dbraw/zinc/80/30/88/1319803088.db2.gz REYIUGVYQCKMNL-MHJFOBGBSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC000962222759 1319866833 /nfs/dbraw/zinc/86/68/33/1319866833.db2.gz NWQXUBHRBHPSBI-VHBXLISGSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763102 1319907914 /nfs/dbraw/zinc/90/79/14/1319907914.db2.gz CRRWRLMYSAMBOK-GOSISDBHSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H]1CC[NH2+][C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000822659191 1320109823 /nfs/dbraw/zinc/10/98/23/1320109823.db2.gz MUHBAGFNECYIAU-WMLDXEAASA-N 2 0 326.444 3.393 20 0 EGADRP C[C@]1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000827588476 1320460735 /nfs/dbraw/zinc/46/07/35/1320460735.db2.gz HRHGEWSUWORYNA-OAHLLOKOSA-N 2 0 335.319 3.005 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000840810033 1321153855 /nfs/dbraw/zinc/15/38/55/1321153855.db2.gz NPYGCSBTQUTERW-DLBZAZTESA-N 2 0 345.487 3.416 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000841029169 1321203495 /nfs/dbraw/zinc/20/34/95/1321203495.db2.gz VEBXTAZQNUCEPK-GDBMZVCRSA-N 2 0 346.462 3.256 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc(=O)oc2c1C ZINC000842472684 1321392984 /nfs/dbraw/zinc/39/29/84/1321392984.db2.gz ISRIDKYALMJEJP-LJQANCHMSA-N 2 0 340.467 3.374 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1C ZINC000842474131 1321392992 /nfs/dbraw/zinc/39/29/92/1321392992.db2.gz GBRJDTHWXKZNRL-VQIMIIECSA-N 2 0 340.467 3.374 20 0 EGADRP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000842472419 1321393212 /nfs/dbraw/zinc/39/32/12/1321393212.db2.gz YALRFQPGRFIYTE-KXBFYZLASA-N 2 0 336.907 3.475 20 0 EGADRP CCc1ccc2c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc(=O)oc2c1 ZINC000842472902 1321393718 /nfs/dbraw/zinc/39/37/18/1321393718.db2.gz LLXNQAVPEOQLNS-LJQANCHMSA-N 2 0 340.467 3.319 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120217 1321473566 /nfs/dbraw/zinc/47/35/66/1321473566.db2.gz ZTLGWWGWDATKQJ-UHFFFAOYSA-N 2 0 344.890 3.410 20 0 EGADRP [NH3+]CCCCCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000843126234 1321474495 /nfs/dbraw/zinc/47/44/95/1321474495.db2.gz DVKANVHWGSRAKT-UHFFFAOYSA-N 2 0 342.274 3.183 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000843339799 1321502149 /nfs/dbraw/zinc/50/21/49/1321502149.db2.gz DGPUHJSZWZEUFO-LRQBHLAOSA-N 2 0 329.271 3.005 20 0 EGADRP CCc1cc2oc(=O)cc(C[NH+]3CCC(C[NH2+]C)CC3)c2cc1Cl ZINC000843351258 1321504073 /nfs/dbraw/zinc/50/40/73/1321504073.db2.gz HZUNYSYLBQOKKR-UHFFFAOYSA-N 2 0 348.874 3.440 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000844905637 1321656289 /nfs/dbraw/zinc/65/62/89/1321656289.db2.gz AJTXVSAEHAHAHA-DLBZAZTESA-N 2 0 326.444 3.002 20 0 EGADRP COCc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OC ZINC000844923401 1321658493 /nfs/dbraw/zinc/65/84/93/1321658493.db2.gz HZNSWLBFICMNPY-CYBMUJFWSA-N 2 0 332.419 3.290 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845929517 1321755043 /nfs/dbraw/zinc/75/50/43/1321755043.db2.gz VHMLZYRUVLYWRE-AQFXKWCLSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846221050 1321777517 /nfs/dbraw/zinc/77/75/17/1321777517.db2.gz GCHXWNYRYWAIPO-HNNXBMFYSA-N 2 0 325.447 3.163 20 0 EGADRP C[NH+](C)CCOc1ccc(CCNC(=[NH2+])NC2CCCCCC2)cc1 ZINC000849075330 1322067091 /nfs/dbraw/zinc/06/70/91/1322067091.db2.gz VQAVSBMFDXUVOC-UHFFFAOYSA-N 2 0 346.519 3.006 20 0 EGADRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCCN(C)CC[NH+](C)C)cc1 ZINC000849081919 1322070894 /nfs/dbraw/zinc/07/08/94/1322070894.db2.gz QBSRCRLGOAMPQM-MRXNPFEDSA-N 2 0 333.524 3.020 20 0 EGADRP CC1CC[NH+](CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000849083709 1322072035 /nfs/dbraw/zinc/07/20/35/1322072035.db2.gz FVKGKASSVQYNMA-UHFFFAOYSA-N 2 0 344.381 3.253 20 0 EGADRP CC[N@H+](CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C(C)C ZINC000849090546 1322073911 /nfs/dbraw/zinc/07/39/11/1322073911.db2.gz BMGMHLFWTKSXFB-UHFFFAOYSA-N 2 0 330.398 3.050 20 0 EGADRP [NH2+]=C(NCC(C1CC1)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849093270 1322074939 /nfs/dbraw/zinc/07/49/39/1322074939.db2.gz VNROVAFBZFQJES-UHFFFAOYSA-N 2 0 340.515 3.201 20 0 EGADRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091268 1322075530 /nfs/dbraw/zinc/07/55/30/1322075530.db2.gz QRIIYCNGBPIFOX-CYBMUJFWSA-N 2 0 342.409 3.051 20 0 EGADRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000849105207 1322080231 /nfs/dbraw/zinc/08/02/31/1322080231.db2.gz FIYFKWXODCEXIT-QGZVFWFLSA-N 2 0 330.476 3.427 20 0 EGADRP [NH2+]=C(NCC1(C2CC2)CCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849107943 1322081272 /nfs/dbraw/zinc/08/12/72/1322081272.db2.gz JRMDUHKDMGZOQH-UHFFFAOYSA-N 2 0 340.515 3.345 20 0 EGADRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000849108235 1322081325 /nfs/dbraw/zinc/08/13/25/1322081325.db2.gz MMKFEHLNGOQOHC-MRXNPFEDSA-N 2 0 345.535 3.162 20 0 EGADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849112277 1322083422 /nfs/dbraw/zinc/08/34/22/1322083422.db2.gz FNPGCRFIOPQFGT-MLGOLLRUSA-N 2 0 338.858 3.138 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@H](C)O3)[C@H](C)C1 ZINC000921748649 1322391441 /nfs/dbraw/zinc/39/14/41/1322391441.db2.gz ZAVONHSMQOFKAS-UWVAXJGDSA-N 2 0 346.515 3.237 20 0 EGADRP CN(C)Cc1cnc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000922503174 1322544076 /nfs/dbraw/zinc/54/40/76/1322544076.db2.gz HFZCCCREPLLJHN-UHFFFAOYSA-N 2 0 336.549 3.091 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000922587010 1322564349 /nfs/dbraw/zinc/56/43/49/1322564349.db2.gz VMPXBPFPQQNDSI-FQEVSTJZSA-N 2 0 325.456 3.263 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000922848473 1322632310 /nfs/dbraw/zinc/63/23/10/1322632310.db2.gz SXHNYNCZUWYADL-UHFFFAOYSA-N 2 0 338.499 3.428 20 0 EGADRP CCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000923326367 1322734731 /nfs/dbraw/zinc/73/47/31/1322734731.db2.gz GMKWQJCHBIPJTD-INIZCTEOSA-N 2 0 344.421 3.073 20 0 EGADRP CCc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000923346203 1322738278 /nfs/dbraw/zinc/73/82/78/1322738278.db2.gz WCEMPOGXNMOZQI-PKOBYXMFSA-N 2 0 327.472 3.409 20 0 EGADRP C(CCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21)CC[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000859638347 1329042146 /nfs/dbraw/zinc/04/21/46/1329042146.db2.gz JCIKBKXPDSYCFY-VNTMZGSJSA-N 2 0 336.520 3.053 20 0 EGADRP O[C@@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC000923390859 1322744251 /nfs/dbraw/zinc/74/42/51/1322744251.db2.gz WKGVELHPTSFAPA-KSSFIOAISA-N 2 0 340.870 3.224 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000923483803 1322759994 /nfs/dbraw/zinc/75/99/94/1322759994.db2.gz DECIKMLUMNUJOJ-QGZVFWFLSA-N 2 0 349.478 3.121 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491608 1322760884 /nfs/dbraw/zinc/76/08/84/1322760884.db2.gz JWXLNTWQCPNEPA-IRXDYDNUSA-N 2 0 337.467 3.351 20 0 EGADRP Cn1c2ccccc2nc1CC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506311 1322764488 /nfs/dbraw/zinc/76/44/88/1322764488.db2.gz HMRDJHRZVZASSM-QGZVFWFLSA-N 2 0 340.515 3.218 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001023994124 1323068211 /nfs/dbraw/zinc/06/82/11/1323068211.db2.gz ZDVUYGOCKSJXJN-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024018687 1323081064 /nfs/dbraw/zinc/08/10/64/1323081064.db2.gz RMOHSYSHVNOHAY-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1)CC1CC1 ZINC000851889400 1323107847 /nfs/dbraw/zinc/10/78/47/1323107847.db2.gz HUYZEKBYBQHGKY-LJQANCHMSA-N 2 0 338.536 3.362 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)c2ccccn2)CC1)CC(C)C ZINC000851892247 1323109564 /nfs/dbraw/zinc/10/95/64/1323109564.db2.gz LGUCPNVFFNRNOY-HXUWFJFHSA-N 2 0 333.520 3.195 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccc3c2OCO3)cn1 ZINC000924722229 1323133146 /nfs/dbraw/zinc/13/31/46/1323133146.db2.gz GQBMWFNGUWUQJQ-ZDUSSCGKSA-N 2 0 336.395 3.155 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024119373 1323149943 /nfs/dbraw/zinc/14/99/43/1323149943.db2.gz YLHWHZFEKHXRAF-PMACEKPBSA-N 2 0 349.563 3.127 20 0 EGADRP COc1ccnc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000924941521 1323222953 /nfs/dbraw/zinc/22/29/53/1323222953.db2.gz XZNQEHVWNBASEP-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2coc3ccccc32)CC1 ZINC000924953676 1323226933 /nfs/dbraw/zinc/22/69/33/1323226933.db2.gz SBOFMIWSHPRYRV-SJORKVTESA-N 2 0 329.488 3.357 20 0 EGADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000924964166 1323230479 /nfs/dbraw/zinc/23/04/79/1323230479.db2.gz OTRUDDFISHNLDZ-PXNSSMCTSA-N 2 0 343.515 3.065 20 0 EGADRP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852744917 1323234457 /nfs/dbraw/zinc/23/44/57/1323234457.db2.gz LANMYHYYVGISHU-KRWDZBQOSA-N 2 0 344.890 3.365 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cnn(C)n1 ZINC000924993065 1323238078 /nfs/dbraw/zinc/23/80/78/1323238078.db2.gz NWNWVULACJDVMS-AWEZNQCLSA-N 2 0 347.894 3.031 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278206 1323256387 /nfs/dbraw/zinc/25/63/87/1323256387.db2.gz GWIWPETWSQSSAU-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925053336 1323258194 /nfs/dbraw/zinc/25/81/94/1323258194.db2.gz HFOPNBNZRBHION-INIZCTEOSA-N 2 0 325.456 3.428 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000853106125 1323284874 /nfs/dbraw/zinc/28/48/74/1323284874.db2.gz QUIOWSQUAUKWJJ-CTNGQTDRSA-N 2 0 339.483 3.007 20 0 EGADRP CS[C@H](CO)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925109364 1323285853 /nfs/dbraw/zinc/28/58/53/1323285853.db2.gz DMFDCSUMUDVTFG-QFMLELGNSA-N 2 0 348.556 3.274 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024470409 1323424874 /nfs/dbraw/zinc/42/48/74/1323424874.db2.gz ZMHSLHXJWVHHNX-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024513047 1323463816 /nfs/dbraw/zinc/46/38/16/1323463816.db2.gz MJVYCKJMJSHZSD-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024522568 1323470548 /nfs/dbraw/zinc/47/05/48/1323470548.db2.gz GUYUNSNIAIFWBO-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024524770 1323470705 /nfs/dbraw/zinc/47/07/05/1323470705.db2.gz ZWCUFYQWYGBOIV-RBUKOAKNSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC1 ZINC001024693104 1323610099 /nfs/dbraw/zinc/61/00/99/1323610099.db2.gz WJZJQSULNPPPED-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749829 1323653070 /nfs/dbraw/zinc/65/30/70/1323653070.db2.gz HGRNNZZKHZLNRL-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811647 1323712963 /nfs/dbraw/zinc/71/29/63/1323712963.db2.gz VRYIGMLCCMPRHO-FQEVSTJZSA-N 2 0 343.515 3.299 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CC2)c1 ZINC001024811455 1323714049 /nfs/dbraw/zinc/71/40/49/1323714049.db2.gz UHCSNSQUIJGDCK-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024812995 1323715119 /nfs/dbraw/zinc/71/51/19/1323715119.db2.gz VALQUXYDWUESLO-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001024963337 1323803240 /nfs/dbraw/zinc/80/32/40/1323803240.db2.gz MSPHYPBEEHGJEY-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001024991440 1323815309 /nfs/dbraw/zinc/81/53/09/1323815309.db2.gz CJXBOYKFKBBQAA-OALUTQOASA-N 2 0 335.536 3.044 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025003582 1323822337 /nfs/dbraw/zinc/82/23/37/1323822337.db2.gz SZEOPOOZSNKBSE-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025137196 1323913919 /nfs/dbraw/zinc/91/39/19/1323913919.db2.gz VXVRTFSLPNRFAC-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1SC[C@H](C)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480005 1329127467 /nfs/dbraw/zinc/12/74/67/1329127467.db2.gz JJJOLCZPMBCLOC-MRXNPFEDSA-N 2 0 336.545 3.112 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025248095 1324048250 /nfs/dbraw/zinc/04/82/50/1324048250.db2.gz VJZMMESZEPDZPL-MOPGFXCFSA-N 2 0 347.547 3.260 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275070 1324094724 /nfs/dbraw/zinc/09/47/24/1324094724.db2.gz RYZNRSAAJGYDNI-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279652 1324101915 /nfs/dbraw/zinc/10/19/15/1324101915.db2.gz FVOYQWWGDWNHHV-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026506686 1324854892 /nfs/dbraw/zinc/85/48/92/1324854892.db2.gz FUIPKRAGIXWOBT-ACBHZAAOSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001026533658 1324871798 /nfs/dbraw/zinc/87/17/98/1324871798.db2.gz GNUOVAULLQFWLE-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026548041 1324885093 /nfs/dbraw/zinc/88/50/93/1324885093.db2.gz MMBABIPWICXBTH-TVPLGVNVSA-N 2 0 335.536 3.211 20 0 EGADRP C[C@H]([NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001026553769 1324888914 /nfs/dbraw/zinc/88/89/14/1324888914.db2.gz SHBZYNHGCBJDKF-DZIBYMRMSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307512 1325089784 /nfs/dbraw/zinc/08/97/84/1325089784.db2.gz YXGVFDQKDRWANE-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963319381 1325105066 /nfs/dbraw/zinc/10/50/66/1325105066.db2.gz NYOUZIBUVZEKMT-ACBHZAAOSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)(C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001026988696 1325127312 /nfs/dbraw/zinc/12/73/12/1325127312.db2.gz MZVLPUFWZUEMJT-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)c1 ZINC000925477677 1325167405 /nfs/dbraw/zinc/16/74/05/1325167405.db2.gz LIACPNRYJKHAEH-DZFGPLHGSA-N 2 0 343.515 3.032 20 0 EGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925504186 1325181073 /nfs/dbraw/zinc/18/10/73/1325181073.db2.gz KWBJATKMAJNTDY-PWRODBHTSA-N 2 0 327.516 3.019 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCCN(c3ccccc3Cl)C1)[NH2+]2 ZINC000925519040 1325187941 /nfs/dbraw/zinc/18/79/41/1325187941.db2.gz BJGISFZCSBLFSY-JAPOXJDPSA-N 2 0 333.907 3.427 20 0 EGADRP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CC2 ZINC000925559572 1325209784 /nfs/dbraw/zinc/20/97/84/1325209784.db2.gz WFSYJUYMVUJCFU-HSALFYBXSA-N 2 0 328.500 3.340 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1-n1ccnc1 ZINC000925566775 1325213064 /nfs/dbraw/zinc/21/30/64/1325213064.db2.gz GCTDKVGOMSSTJP-PKOBYXMFSA-N 2 0 342.462 3.269 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000925740008 1325276707 /nfs/dbraw/zinc/27/67/07/1325276707.db2.gz GBYAJGWNDGETHK-INIZCTEOSA-N 3 0 333.520 3.459 20 0 EGADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925831925 1325319402 /nfs/dbraw/zinc/31/94/02/1325319402.db2.gz DVLMXLHGVLFTNH-OWCLPIDISA-N 2 0 337.305 3.278 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC000963631800 1325348131 /nfs/dbraw/zinc/34/81/31/1325348131.db2.gz MAHORNBNILCBLV-FCOWATRHSA-N 2 0 347.547 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000964153714 1325483461 /nfs/dbraw/zinc/48/34/61/1325483461.db2.gz PUOFDKJKKAAMQJ-SOAGJPPSSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027334223 1325493062 /nfs/dbraw/zinc/49/30/62/1325493062.db2.gz KSGNVLZPGZBJSS-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[NH+]1CCC(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000856762165 1325519588 /nfs/dbraw/zinc/51/95/88/1325519588.db2.gz OQAAXWPOQSSTCI-LJQANCHMSA-N 2 0 343.515 3.100 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCCC1 ZINC000856885305 1325539282 /nfs/dbraw/zinc/53/92/82/1325539282.db2.gz VPVPHWDIHCKRHC-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c(OC)n1 ZINC000926459804 1325562918 /nfs/dbraw/zinc/56/29/18/1325562918.db2.gz YUTFPJJQOXBCEQ-AWEZNQCLSA-N 2 0 329.444 3.011 20 0 EGADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857141958 1325579937 /nfs/dbraw/zinc/57/99/37/1325579937.db2.gz OQHNQFDTMMLCJV-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001027416996 1327644349 /nfs/dbraw/zinc/64/43/49/1327644349.db2.gz RAPFALJLCZHHEL-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC001027445104 1327684961 /nfs/dbraw/zinc/68/49/61/1327684961.db2.gz ZWENOCQPXFEIQJ-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001027452503 1327693807 /nfs/dbraw/zinc/69/38/07/1327693807.db2.gz PQYWQUDIRQVMPB-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000926776446 1327711976 /nfs/dbraw/zinc/71/19/76/1327711976.db2.gz AQQXOOLRDXEIBL-TXPKVOOTSA-N 2 0 325.456 3.206 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027464430 1327714549 /nfs/dbraw/zinc/71/45/49/1327714549.db2.gz GFYYRZAMSOEWHD-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027471115 1327726298 /nfs/dbraw/zinc/72/62/98/1327726298.db2.gz WSFUUDWMDDNERH-LJQANCHMSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542070 1327845213 /nfs/dbraw/zinc/84/52/13/1327845213.db2.gz HPPLREADBGSORO-OALUTQOASA-N 2 0 335.536 3.115 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001027547449 1327852904 /nfs/dbraw/zinc/85/29/04/1327852904.db2.gz SFTJNZUZUYDAST-WDSOQIARSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555378 1327862130 /nfs/dbraw/zinc/86/21/30/1327862130.db2.gz KGLSYOKBTFNTDO-YLJYHZDGSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027694352 1328100151 /nfs/dbraw/zinc/10/01/51/1328100151.db2.gz WDOOHOKLUZJXBS-MSOLQXFVSA-N 2 0 349.544 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027694505 1328101103 /nfs/dbraw/zinc/10/11/03/1328101103.db2.gz AQMTYJZBNKQQAR-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1 ZINC000927768118 1328133720 /nfs/dbraw/zinc/13/37/20/1328133720.db2.gz NQFRYQJNNRMIMV-UHFFFAOYSA-N 2 0 327.428 3.237 20 0 EGADRP Cc1cc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cs1 ZINC001027879489 1328344902 /nfs/dbraw/zinc/34/49/02/1328344902.db2.gz SVHPVWZGGMUMLX-ZWKOTPCHSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027879698 1328348061 /nfs/dbraw/zinc/34/80/61/1328348061.db2.gz WTKXPAFJXKPOJN-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027918262 1328396936 /nfs/dbraw/zinc/39/69/36/1328396936.db2.gz LNNYTUDOQVPVSU-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027919310 1328397858 /nfs/dbraw/zinc/39/78/58/1328397858.db2.gz VPCYPTRGWAVNDO-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP c1coc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[NH+]2CCCC2)c1 ZINC000863983410 1329592499 /nfs/dbraw/zinc/59/24/99/1329592499.db2.gz GZLMDIBESKBERI-ZCTYVAAUSA-N 2 0 329.488 3.164 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000864049154 1329594997 /nfs/dbraw/zinc/59/49/97/1329594997.db2.gz BLWAOOMIKCZLFX-UHFFFAOYSA-N 2 0 333.545 3.234 20 0 EGADRP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000865496034 1329705284 /nfs/dbraw/zinc/70/52/84/1329705284.db2.gz RFGSZQBBXODNJE-PMACEKPBSA-N 2 0 346.515 3.331 20 0 EGADRP CCCn1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000865508963 1329707089 /nfs/dbraw/zinc/70/70/89/1329707089.db2.gz IVHHRDPRDPPCNA-HKUYNNGSSA-N 2 0 341.503 3.078 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000934279122 1329961367 /nfs/dbraw/zinc/96/13/67/1329961367.db2.gz VXWRDAOPAYDINT-YZGWKJHDSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)CC1(C)OCCO1 ZINC000866426028 1330110324 /nfs/dbraw/zinc/11/03/24/1330110324.db2.gz QQWQZXYIHWNREO-ZIFCJYIRSA-N 2 0 338.536 3.408 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2coc(-c3ccccc3OC)n2)CC1 ZINC000866660424 1330138757 /nfs/dbraw/zinc/13/87/57/1330138757.db2.gz IAZLVBLDOUTIDO-UHFFFAOYSA-N 2 0 329.444 3.172 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000868183804 1330259496 /nfs/dbraw/zinc/25/94/96/1330259496.db2.gz CHZOGPZISRTPBZ-RBUKOAKNSA-N 2 0 342.487 3.030 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000939397116 1330430709 /nfs/dbraw/zinc/43/07/09/1330430709.db2.gz LJMICOIMHQDVIZ-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC000939446549 1330437616 /nfs/dbraw/zinc/43/76/16/1330437616.db2.gz FHSUYIXJXUCLAJ-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942172691 1331860061 /nfs/dbraw/zinc/86/00/61/1331860061.db2.gz MBHOJSPFNCHITD-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518221 1331950675 /nfs/dbraw/zinc/95/06/75/1331950675.db2.gz ORLLLUCVVYUAKJ-MAUKXSAKSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557364 1331971284 /nfs/dbraw/zinc/97/12/84/1331971284.db2.gz GGXILFIHCYETSO-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821665 1332042068 /nfs/dbraw/zinc/04/20/68/1332042068.db2.gz GAJZFSQDIMXOSI-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCC(C)(C)C ZINC000947551546 1333169184 /nfs/dbraw/zinc/16/91/84/1333169184.db2.gz MHBHFDJUXGVJBH-WBVHZDCISA-N 2 0 342.487 3.353 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569064 1333174736 /nfs/dbraw/zinc/17/47/36/1333174736.db2.gz RHVNOPVWWBSFEH-MJGOQNOKSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC000947616003 1333193988 /nfs/dbraw/zinc/19/39/88/1333193988.db2.gz NRRCIFJVCCDPKI-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC000947684710 1333222409 /nfs/dbraw/zinc/22/24/09/1333222409.db2.gz JNKCECVXNRZOFW-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947907267 1333301761 /nfs/dbraw/zinc/30/17/61/1333301761.db2.gz FXMLUGCGLAILBC-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCC1CCCCC1 ZINC000947934831 1333312261 /nfs/dbraw/zinc/31/22/61/1333312261.db2.gz MPMGSTVYSUVQDP-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057504 1333358707 /nfs/dbraw/zinc/35/87/07/1333358707.db2.gz WRDAGSIGBNAIIZ-APWZRJJASA-N 2 0 331.504 3.131 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948416309 1333516426 /nfs/dbraw/zinc/51/64/26/1333516426.db2.gz CMGOCOWPWXKNSI-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591206 1333587287 /nfs/dbraw/zinc/58/72/87/1333587287.db2.gz SHPTXNBJNBHSCM-GOSISDBHSA-N 2 0 340.471 3.227 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948591311 1333587673 /nfs/dbraw/zinc/58/76/73/1333587673.db2.gz UNTDSLYHUAPBIF-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621470 1333600793 /nfs/dbraw/zinc/60/07/93/1333600793.db2.gz QOLXMJMISZRTFN-DLBZAZTESA-N 2 0 346.450 3.009 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642834 1333609191 /nfs/dbraw/zinc/60/91/91/1333609191.db2.gz OJCUHVWBCAYAPQ-WOJBJXKFSA-N 2 0 347.547 3.140 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948743506 1333655485 /nfs/dbraw/zinc/65/54/85/1333655485.db2.gz WDYRULHEUJVHQL-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCC(C)(C)C)CC2)C1 ZINC000948765664 1333668057 /nfs/dbraw/zinc/66/80/57/1333668057.db2.gz AZDYNQSAYBOAMI-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775383 1333673571 /nfs/dbraw/zinc/67/35/71/1333673571.db2.gz HGNTUNYNSYNDTD-MJGOQNOKSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832779 1333702796 /nfs/dbraw/zinc/70/27/96/1333702796.db2.gz ANZYHDXDRBTCQE-HKUYNNGSSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948858640 1333711992 /nfs/dbraw/zinc/71/19/92/1333711992.db2.gz MZMAMTUAXWCKIT-PMACEKPBSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000949042497 1333769724 /nfs/dbraw/zinc/76/97/24/1333769724.db2.gz JXYZCJNMIAIWSY-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000950692649 1334118568 /nfs/dbraw/zinc/11/85/68/1334118568.db2.gz WECIXEGILNSDOE-UHFFFAOYSA-N 2 0 342.487 3.225 20 0 EGADRP C[C@@H](C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1)[NH+]1CCCCCC1 ZINC000951192956 1334203008 /nfs/dbraw/zinc/20/30/08/1334203008.db2.gz ZDZLZGBRDBIOFQ-GPJFCIFZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C(=O)N1CC[NH+](CC2CCCCCC2)CC1)[NH+]1CCCCCC1 ZINC000951192155 1334203336 /nfs/dbraw/zinc/20/33/36/1334203336.db2.gz AURSFIFKWLYVIO-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000967265124 1335681302 /nfs/dbraw/zinc/68/13/02/1335681302.db2.gz SINBFNRFWAEWMP-YJBOKZPZSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968492343 1335941095 /nfs/dbraw/zinc/94/10/95/1335941095.db2.gz IBPGYZUEMKIITI-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928631 1336093141 /nfs/dbraw/zinc/09/31/41/1336093141.db2.gz QHAJUOGTFYWPGW-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC=C(C)C)C1 ZINC000968991132 1336112413 /nfs/dbraw/zinc/11/24/13/1336112413.db2.gz WAURNUSADDMREX-VQTJNVASSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000969059093 1336133172 /nfs/dbraw/zinc/13/31/72/1336133172.db2.gz FWBGZONBCRLPBS-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000969059867 1336133658 /nfs/dbraw/zinc/13/36/58/1336133658.db2.gz TWLHJBYDZQLCEI-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060257 1336133693 /nfs/dbraw/zinc/13/36/93/1336133693.db2.gz XYVAYPXKZGMBCB-RBUKOAKNSA-N 2 0 337.552 3.410 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060254 1336133943 /nfs/dbraw/zinc/13/39/43/1336133943.db2.gz XYVAYPXKZGMBCB-MOPGFXCFSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109219 1336147489 /nfs/dbraw/zinc/14/74/89/1336147489.db2.gz XVDJYOBSJXINMA-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCCCCC2)C1 ZINC000969144243 1336160717 /nfs/dbraw/zinc/16/07/17/1336160717.db2.gz HQMHKDNRSZQMIS-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000969156575 1336165581 /nfs/dbraw/zinc/16/55/81/1336165581.db2.gz WWXYQSIPZRFPOP-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970719505 1336335693 /nfs/dbraw/zinc/33/56/93/1336335693.db2.gz SBBZTDGYQQJIIY-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005935330 1336425829 /nfs/dbraw/zinc/42/58/29/1336425829.db2.gz SGAXDRXZXCPZMI-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006002045 1336435898 /nfs/dbraw/zinc/43/58/98/1336435898.db2.gz SWFUMQLCYSELCX-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006089930 1336450702 /nfs/dbraw/zinc/45/07/02/1336450702.db2.gz AUQCUSGPAZBAAP-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006134701 1336457124 /nfs/dbraw/zinc/45/71/24/1336457124.db2.gz XJLSRDQCRNZLNT-KRWDZBQOSA-N 2 0 345.531 3.331 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001006292498 1336484583 /nfs/dbraw/zinc/48/45/83/1336484583.db2.gz QPBGVGKDIMNIHS-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001006413971 1336501670 /nfs/dbraw/zinc/50/16/70/1336501670.db2.gz VLIKQZLKDNGUEQ-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007499168 1336658291 /nfs/dbraw/zinc/65/82/91/1336658291.db2.gz OLSXSLZVCGPFHR-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007501187 1336658785 /nfs/dbraw/zinc/65/87/85/1336658785.db2.gz WMECXOVLJRPEFX-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001007648876 1336683923 /nfs/dbraw/zinc/68/39/23/1336683923.db2.gz VFUQUJYUEXHRSZ-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001007723202 1336690843 /nfs/dbraw/zinc/69/08/43/1336690843.db2.gz OIGJRBNDNXQEDF-SFHVURJKSA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007747699 1336694122 /nfs/dbraw/zinc/69/41/22/1336694122.db2.gz RDUVHVDSVIULHO-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001008744326 1336919152 /nfs/dbraw/zinc/91/91/52/1336919152.db2.gz AVAUVLWFGNZVLF-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001009636620 1337050371 /nfs/dbraw/zinc/05/03/71/1337050371.db2.gz NOYMIOZQQMXHLJ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(Br)c(O)c2)CC1 ZINC001206327056 1371023715 /nfs/dbraw/zinc/02/37/15/1371023715.db2.gz RVCPWGSMRZONSG-HNNXBMFYSA-N 2 0 327.266 3.106 20 0 EGADRP CCOc1cc(CN2CCCC[C@@H](C[NH3+])C2)ccc1Br ZINC001206639017 1371115332 /nfs/dbraw/zinc/11/53/32/1371115332.db2.gz ANNLISUWWQHWRG-AWEZNQCLSA-N 2 0 341.293 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014636607 1337855313 /nfs/dbraw/zinc/85/53/13/1337855313.db2.gz ZCIBJYAXYCNBLC-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001014724864 1337885695 /nfs/dbraw/zinc/88/56/95/1337885695.db2.gz XRFQRZULCHWNBL-ROUUACIJSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014724659 1337885906 /nfs/dbraw/zinc/88/59/06/1337885906.db2.gz WOTMVQHIBDWEIK-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014724941 1337886798 /nfs/dbraw/zinc/88/67/98/1337886798.db2.gz YBQBLXLYMWWKHR-QUCCMNQESA-N 2 0 345.531 3.084 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014964727 1337969995 /nfs/dbraw/zinc/96/99/95/1337969995.db2.gz RHHGUFNLNXOPSO-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603312 1338204416 /nfs/dbraw/zinc/20/44/16/1338204416.db2.gz RCOHCAJCNCJTSN-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)C2)c1 ZINC001016322640 1338549147 /nfs/dbraw/zinc/54/91/47/1338549147.db2.gz KDNOLDHIYBPHDA-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016619780 1338666862 /nfs/dbraw/zinc/66/68/62/1338666862.db2.gz CHRWEPAUTFXKBT-SFHVURJKSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016660744 1338681772 /nfs/dbraw/zinc/68/17/72/1338681772.db2.gz AWSYKXBKPGKWRO-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001016991744 1338796437 /nfs/dbraw/zinc/79/64/37/1338796437.db2.gz FOGAQZOEADLFOJ-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017617257 1339377636 /nfs/dbraw/zinc/37/76/36/1339377636.db2.gz KUNBPKQLKKEDDV-AQNXPRMDSA-N 2 0 349.563 3.361 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051904 1339490917 /nfs/dbraw/zinc/49/09/17/1339490917.db2.gz LLFPYTQCOOYFMT-ZRNYENFQSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccsc1 ZINC001028181112 1340470651 /nfs/dbraw/zinc/47/06/51/1340470651.db2.gz NTEWTMWJFZGFRC-ROUUACIJSA-N 2 0 349.544 3.092 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)(C)C)cc1 ZINC001028202958 1340481883 /nfs/dbraw/zinc/48/18/83/1340481883.db2.gz LJEZMALRLYYGLD-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001028252568 1340513344 /nfs/dbraw/zinc/51/33/44/1340513344.db2.gz YCIBSCZNNRPOSA-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254427 1340514788 /nfs/dbraw/zinc/51/47/88/1340514788.db2.gz UUBYPDMWKQCDCS-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001028335171 1340572072 /nfs/dbraw/zinc/57/20/72/1340572072.db2.gz OZWGJVWHESSEOR-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001029100614 1340930066 /nfs/dbraw/zinc/93/00/66/1340930066.db2.gz KPQWLAWLBZIVMM-HKUYNNGSSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001029108408 1340931770 /nfs/dbraw/zinc/93/17/70/1340931770.db2.gz HLVKODTUSSRUDQ-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001029111686 1340932643 /nfs/dbraw/zinc/93/26/43/1340932643.db2.gz MSFLQAPGVBPHLM-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001029146282 1340942697 /nfs/dbraw/zinc/94/26/97/1340942697.db2.gz IEMJBTCZZVDZJD-ROUUACIJSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029306285 1340969736 /nfs/dbraw/zinc/96/97/36/1340969736.db2.gz OKWQIKTZLXROJQ-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029330239 1340972920 /nfs/dbraw/zinc/97/29/20/1340972920.db2.gz JASGFJQRFRAHMP-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029344082 1340974707 /nfs/dbraw/zinc/97/47/07/1340974707.db2.gz GNLUELOKGZVHRS-AQNXPRMDSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029738733 1341059269 /nfs/dbraw/zinc/05/92/69/1341059269.db2.gz CQCCCSLNSCBEPH-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1)CC1CCCCC1 ZINC001029842634 1341092904 /nfs/dbraw/zinc/09/29/04/1341092904.db2.gz UKVWGKYSUHBQEZ-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001029844082 1341093045 /nfs/dbraw/zinc/09/30/45/1341093045.db2.gz VVFNBEQFYUZIGR-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029909991 1341113170 /nfs/dbraw/zinc/11/31/70/1341113170.db2.gz UTVDGKXFFPKDBD-HXUWFJFHSA-N 2 0 347.547 3.143 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001029910449 1341113902 /nfs/dbraw/zinc/11/39/02/1341113902.db2.gz LUFABTAKDVXSSD-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001029996817 1341151466 /nfs/dbraw/zinc/15/14/66/1341151466.db2.gz NNKAHZJVGWEOCN-FQEVSTJZSA-N 2 0 345.531 3.006 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001030019298 1341159711 /nfs/dbraw/zinc/15/97/11/1341159711.db2.gz JDCALBZVLJIVII-UFYCRDLUSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001031050657 1341270255 /nfs/dbraw/zinc/27/02/55/1341270255.db2.gz SIYZWFGKZWOWPY-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673234 1341386664 /nfs/dbraw/zinc/38/66/64/1341386664.db2.gz BBRGNOXTEIQLOL-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(CC)CC)C1 ZINC001032119159 1341458672 /nfs/dbraw/zinc/45/86/72/1341458672.db2.gz HOFNTBWUSHGLBV-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033074311 1341716078 /nfs/dbraw/zinc/71/60/78/1341716078.db2.gz YDXSPAPNXVWEKS-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033144143 1341738202 /nfs/dbraw/zinc/73/82/02/1341738202.db2.gz SDJSYXBIXRWFAV-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033145574 1341738755 /nfs/dbraw/zinc/73/87/55/1341738755.db2.gz IGDWOVNOYNGRBH-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001033213130 1341754402 /nfs/dbraw/zinc/75/44/02/1341754402.db2.gz HEXUFLAGTYMJPZ-QGZVFWFLSA-N 2 0 342.487 3.225 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)CC1 ZINC001033427045 1341822054 /nfs/dbraw/zinc/82/20/54/1341822054.db2.gz XIQQOVYRYSMCDO-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033472230 1341840143 /nfs/dbraw/zinc/84/01/43/1341840143.db2.gz UOYUAZZQGZTJMK-ZWKOTPCHSA-N 2 0 337.552 3.218 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001033530839 1341860578 /nfs/dbraw/zinc/86/05/78/1341860578.db2.gz HEQAGVWGBPTCFP-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001033546841 1341866022 /nfs/dbraw/zinc/86/60/22/1341866022.db2.gz GTNJOJQLOFUANI-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033684783 1341950878 /nfs/dbraw/zinc/95/08/78/1341950878.db2.gz QMNKRVOFKCNADE-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033686562 1341951893 /nfs/dbraw/zinc/95/18/93/1341951893.db2.gz QQTJEAODDIXCOJ-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033826524 1342027318 /nfs/dbraw/zinc/02/73/18/1342027318.db2.gz QRHDPOCDIUQYBM-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033937500 1342099493 /nfs/dbraw/zinc/09/94/93/1342099493.db2.gz MLWCHAZYRVLBDQ-WDSOQIARSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001034046211 1342186419 /nfs/dbraw/zinc/18/64/19/1342186419.db2.gz QPVVECZCSOYRMW-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034287967 1342375141 /nfs/dbraw/zinc/37/51/41/1342375141.db2.gz JRMSDCAFYJGCKJ-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289021 1342375540 /nfs/dbraw/zinc/37/55/40/1342375540.db2.gz RPJFYSQCYMKKHA-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034367105 1342437192 /nfs/dbraw/zinc/43/71/92/1342437192.db2.gz DACHGEDESXIDKU-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001034370990 1342440782 /nfs/dbraw/zinc/44/07/82/1342440782.db2.gz PUBSVVUKPJRPKW-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC1CCC(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001034386597 1342454428 /nfs/dbraw/zinc/45/44/28/1342454428.db2.gz SXNVFDGDKZDLCZ-AFMYVXGZSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034396395 1342465235 /nfs/dbraw/zinc/46/52/35/1342465235.db2.gz FIWNGPHEPCIVOW-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034400913 1342466104 /nfs/dbraw/zinc/46/61/04/1342466104.db2.gz YQUAHGHQRXCZMJ-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001034432075 1342494350 /nfs/dbraw/zinc/49/43/50/1342494350.db2.gz SLZDVLKSROVKHA-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034438202 1342500384 /nfs/dbraw/zinc/50/03/84/1342500384.db2.gz LMXHTOSJKIEMIP-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001034438408 1342500518 /nfs/dbraw/zinc/50/05/18/1342500518.db2.gz NKPHLECQPUFJBD-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445522 1342506240 /nfs/dbraw/zinc/50/62/40/1342506240.db2.gz VCUDZJMDXOLKMA-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC2)C1 ZINC001034481934 1342538319 /nfs/dbraw/zinc/53/83/19/1342538319.db2.gz XTDVLVYQZBSWDQ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC2)C1 ZINC001034481931 1342539062 /nfs/dbraw/zinc/53/90/62/1342539062.db2.gz XTDVLVYQZBSWDQ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034540216 1342599204 /nfs/dbraw/zinc/59/92/04/1342599204.db2.gz GSWZQIYFKSKHJD-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034642769 1342668306 /nfs/dbraw/zinc/66/83/06/1342668306.db2.gz LDGKTDNSWMGTGL-VAMGGRTRSA-N 2 0 343.515 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034659182 1342676219 /nfs/dbraw/zinc/67/62/19/1342676219.db2.gz OLAJMAZXDAHJAD-BZSNNMDCSA-N 2 0 349.544 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034663439 1342678043 /nfs/dbraw/zinc/67/80/43/1342678043.db2.gz YNYQZIOGVVUHTE-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034663438 1342678307 /nfs/dbraw/zinc/67/83/07/1342678307.db2.gz YNYQZIOGVVUHTE-UFYCRDLUSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC001034672375 1342683192 /nfs/dbraw/zinc/68/31/92/1342683192.db2.gz LKCXEJXSQQOGQD-LEAZDLGRSA-N 2 0 343.515 3.249 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001034721952 1342716046 /nfs/dbraw/zinc/71/60/46/1342716046.db2.gz SHBZYNHGCBJDKF-VDGAXYAQSA-N 2 0 343.515 3.106 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034797077 1342763124 /nfs/dbraw/zinc/76/31/24/1342763124.db2.gz VQMDLMARGAMQML-VAMGGRTRSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001034958138 1342852288 /nfs/dbraw/zinc/85/22/88/1342852288.db2.gz BECYQEBROWFADT-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001034959068 1342853452 /nfs/dbraw/zinc/85/34/52/1342853452.db2.gz QINOCNFQKKWASV-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034982209 1342864129 /nfs/dbraw/zinc/86/41/29/1342864129.db2.gz YLCUZFKDDSZNMW-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001035066946 1342908370 /nfs/dbraw/zinc/90/83/70/1342908370.db2.gz JUUJRVTZLSMTAH-LYBXBRPPSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001035067588 1342908979 /nfs/dbraw/zinc/90/89/79/1342908979.db2.gz XCLLZVDTXJHTQM-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC001035125989 1342944328 /nfs/dbraw/zinc/94/43/28/1342944328.db2.gz QRVFDVCWDGOXPG-CRAIPNDOSA-N 2 0 349.906 3.077 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035131282 1342947679 /nfs/dbraw/zinc/94/76/79/1342947679.db2.gz GLTJNHGLUFHQQS-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035256639 1343082678 /nfs/dbraw/zinc/08/26/78/1343082678.db2.gz LDTFIISOYIANGL-UHFFFAOYSA-N 2 0 347.547 3.143 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035710120 1343146066 /nfs/dbraw/zinc/14/60/66/1343146066.db2.gz JAVJNFRXYUIJDM-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+](CCC3=CCCCC3)C2)CC1)[NH+](C)C ZINC001035733766 1343159612 /nfs/dbraw/zinc/15/96/12/1343159612.db2.gz ZLYDETNTPPXSMA-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035856651 1343233087 /nfs/dbraw/zinc/23/30/87/1343233087.db2.gz RLYPQTFQQMKRTG-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036310539 1343412857 /nfs/dbraw/zinc/41/28/57/1343412857.db2.gz KEBJRUWBEBHCCT-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036412098 1343471487 /nfs/dbraw/zinc/47/14/87/1343471487.db2.gz LNSWWBRSZDFUAG-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793943 1343726799 /nfs/dbraw/zinc/72/67/99/1343726799.db2.gz NDPIOGCBTXRUEX-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001037038092 1343941951 /nfs/dbraw/zinc/94/19/51/1343941951.db2.gz IDEPSGNQWQALHL-IEBWSBKVSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001037088546 1343972783 /nfs/dbraw/zinc/97/27/83/1343972783.db2.gz LLKMHXZDFZFVSU-WOJBJXKFSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001037251294 1344069136 /nfs/dbraw/zinc/06/91/36/1344069136.db2.gz WNLNJQYVZGNABK-UXHICEINSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037847692 1344135502 /nfs/dbraw/zinc/13/55/02/1344135502.db2.gz AYGSCLNDXZTHCL-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037903716 1344168699 /nfs/dbraw/zinc/16/86/99/1344168699.db2.gz JKBPPDLRHRPKRR-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1CC ZINC001037989665 1344223594 /nfs/dbraw/zinc/22/35/94/1344223594.db2.gz GXNWFIQAPMOTJI-AEFFLSMTSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038354600 1344395572 /nfs/dbraw/zinc/39/55/72/1344395572.db2.gz VMKDUSRAPJCPAY-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCC2)ccc2c[nH+]cn21 ZINC001038432572 1344426224 /nfs/dbraw/zinc/42/62/24/1344426224.db2.gz RZGRISWLFFBLMW-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCCC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520472 1344464050 /nfs/dbraw/zinc/46/40/50/1344464050.db2.gz QRTLSXNFNLYKTI-IBGZPJMESA-N 2 0 340.471 3.109 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038554936 1344481348 /nfs/dbraw/zinc/48/13/48/1344481348.db2.gz IPZLVTJIZHASPT-SFHVURJKSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038622694 1344508920 /nfs/dbraw/zinc/50/89/20/1344508920.db2.gz NUVGFNZQDUMBDF-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001038783374 1344582246 /nfs/dbraw/zinc/58/22/46/1344582246.db2.gz WVVQSQOJKWXILI-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC(CC)CC ZINC001038907728 1344646250 /nfs/dbraw/zinc/64/62/50/1344646250.db2.gz DQNKBOYYRZUMIH-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001039046824 1344733051 /nfs/dbraw/zinc/73/30/51/1344733051.db2.gz BUVLVJUABXIOAD-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039112823 1344784894 /nfs/dbraw/zinc/78/48/94/1344784894.db2.gz IZGXFVDCSJOMDE-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137805 1344817855 /nfs/dbraw/zinc/81/78/55/1344817855.db2.gz ROOUPIYOOJEQHH-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182894 1344881507 /nfs/dbraw/zinc/88/15/07/1344881507.db2.gz UBYRMJRBOIKMQD-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205093 1344916752 /nfs/dbraw/zinc/91/67/52/1344916752.db2.gz KHMBJYTYVOJOHA-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039215907 1344932141 /nfs/dbraw/zinc/93/21/41/1344932141.db2.gz WWNILXOCJAFJPZ-AZUAARDMSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237246 1344959812 /nfs/dbraw/zinc/95/98/12/1344959812.db2.gz GATXCWMGXDNUMT-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1)[NH+](C)C ZINC001039487025 1345105737 /nfs/dbraw/zinc/10/57/37/1345105737.db2.gz XVLIZSCBHHDISE-FQEVSTJZSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039579084 1345145176 /nfs/dbraw/zinc/14/51/76/1345145176.db2.gz HZXCISRPPZLQNN-CEXWTWQISA-N 2 0 349.563 3.361 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040232175 1345386934 /nfs/dbraw/zinc/38/69/34/1345386934.db2.gz OIEFGMIZUSFYPI-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040232992 1345387765 /nfs/dbraw/zinc/38/77/65/1345387765.db2.gz UZXZVYKPDYCYSQ-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)CCC1 ZINC001040235305 1345388807 /nfs/dbraw/zinc/38/88/07/1345388807.db2.gz AISBJTMCEQXLRE-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2)[NH+](C)C ZINC001040260792 1345400907 /nfs/dbraw/zinc/40/09/07/1345400907.db2.gz ISYFOGZAERQPEI-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393321 1345473729 /nfs/dbraw/zinc/47/37/29/1345473729.db2.gz ATAAJECZRMFCEQ-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431367 1345493989 /nfs/dbraw/zinc/49/39/89/1345493989.db2.gz GNVQNBUBORXUEW-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2)[NH+](C)C ZINC001040735615 1345572089 /nfs/dbraw/zinc/57/20/89/1345572089.db2.gz VIMCYPZZJWKQNM-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001040850156 1345588098 /nfs/dbraw/zinc/58/80/98/1345588098.db2.gz ZKYFECKHGZUGSD-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001041646605 1345809157 /nfs/dbraw/zinc/80/91/57/1345809157.db2.gz SVGWAYNJELXWPQ-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725506 1345833022 /nfs/dbraw/zinc/83/30/22/1345833022.db2.gz NSYGXGLPBSIEQH-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845463 1345871656 /nfs/dbraw/zinc/87/16/56/1345871656.db2.gz DKTVUIILULUPGO-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846174 1345871814 /nfs/dbraw/zinc/87/18/14/1345871814.db2.gz YTSACMXPOCALNH-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125640 1345950830 /nfs/dbraw/zinc/95/08/30/1345950830.db2.gz VZIBQXMBKAENOH-MJGOQNOKSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365318 1346058192 /nfs/dbraw/zinc/05/81/92/1346058192.db2.gz MZLSQJYTMRSJSP-ICSRJNTNSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042367973 1346059621 /nfs/dbraw/zinc/05/96/21/1346059621.db2.gz NBTQGQXDSZSNGQ-XLIONFOSSA-N 2 0 343.515 3.085 20 0 EGADRP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001043072776 1346137058 /nfs/dbraw/zinc/13/70/58/1346137058.db2.gz HRMSQYMXCMITNB-UYAOXDASSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825949 1346436230 /nfs/dbraw/zinc/43/62/30/1346436230.db2.gz XOYQWPVALCRFFR-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045035465 1346484193 /nfs/dbraw/zinc/48/41/93/1346484193.db2.gz YFUKPEKTMGAJNG-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001045070614 1346489647 /nfs/dbraw/zinc/48/96/47/1346489647.db2.gz NXEAXDOYSYQFPX-HKUYNNGSSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001045200377 1346529212 /nfs/dbraw/zinc/52/92/12/1346529212.db2.gz WHQYDZQVAZUJOB-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438399 1346593937 /nfs/dbraw/zinc/59/39/37/1346593937.db2.gz SCOKCEWYEYHQCZ-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438688 1346593986 /nfs/dbraw/zinc/59/39/86/1346593986.db2.gz VTVIHMLHYHYWED-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001045531470 1346619014 /nfs/dbraw/zinc/61/90/14/1346619014.db2.gz JUDSUPLYRWCYOX-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](F)C[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045588688 1346638633 /nfs/dbraw/zinc/63/86/33/1346638633.db2.gz FHCWKJXQNUSTCU-GOSISDBHSA-N 2 0 349.494 3.081 20 0 EGADRP CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC[NH+](CCC2CCCC2)CC1 ZINC001045629144 1346652112 /nfs/dbraw/zinc/65/21/12/1346652112.db2.gz HVSIZPJWFLQPOI-NRFANRHFSA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001045943048 1346778719 /nfs/dbraw/zinc/77/87/19/1346778719.db2.gz FRSCJGHJXCXRNI-FPOVZHCZSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945750 1346781273 /nfs/dbraw/zinc/78/12/73/1346781273.db2.gz YTQMJFLKDVVKRM-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1)[NH+](C)C ZINC001045967577 1346801999 /nfs/dbraw/zinc/80/19/99/1346801999.db2.gz XSHVVCMVSZMNMT-ICSRJNTNSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001045986067 1346826524 /nfs/dbraw/zinc/82/65/24/1346826524.db2.gz GNVCUFWLHUYNIL-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986677 1346828550 /nfs/dbraw/zinc/82/85/50/1346828550.db2.gz XZUWNJGCQIIAQS-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)C)C1 ZINC001132154279 1375174145 /nfs/dbraw/zinc/17/41/45/1375174145.db2.gz YCMLXOWMQWSOMZ-SJORKVTESA-N 2 0 325.541 3.122 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046558987 1347016131 /nfs/dbraw/zinc/01/61/31/1347016131.db2.gz WOEZXUAYMOSOBC-ICSRJNTNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046557808 1347016202 /nfs/dbraw/zinc/01/62/02/1347016202.db2.gz OQFVSGHOYDOBIV-ICSRJNTNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCCC1)C2 ZINC001047201876 1347241616 /nfs/dbraw/zinc/24/16/16/1347241616.db2.gz WOSVSKUQNFBCHL-ZCNNSNEGSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047243730 1347269143 /nfs/dbraw/zinc/26/91/43/1347269143.db2.gz OBPJGNPEGBAEDC-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538251 1347583693 /nfs/dbraw/zinc/58/36/93/1347583693.db2.gz NNVRPWNKLUSCOU-OBKDMQGPSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589809 1347609023 /nfs/dbraw/zinc/60/90/23/1347609023.db2.gz AQNJPRNIBNUDMX-OBKDMQGPSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC001049094782 1347723402 /nfs/dbraw/zinc/72/34/02/1347723402.db2.gz QBFWLZOLMUDXGP-GBESFXJTSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473291 1347865772 /nfs/dbraw/zinc/86/57/72/1347865772.db2.gz JUAODBSVDSRTMZ-DFQSSKMNSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473292 1347866238 /nfs/dbraw/zinc/86/62/38/1347866238.db2.gz JUAODBSVDSRTMZ-MISYRCLQSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049519722 1347889322 /nfs/dbraw/zinc/88/93/22/1347889322.db2.gz ASHROUMEYGHLQA-IPMKNSEASA-N 2 0 335.536 3.115 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1)C1CCC1 ZINC001049521966 1347889702 /nfs/dbraw/zinc/88/97/02/1347889702.db2.gz NCZXLPHVHNKGDP-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565058 1347913142 /nfs/dbraw/zinc/91/31/42/1347913142.db2.gz SEIATEKAGFJQFM-OALUTQOASA-N 2 0 349.563 3.361 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566295 1347913586 /nfs/dbraw/zinc/91/35/86/1347913586.db2.gz BLAGJSFLKXRGDE-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589744 1347925347 /nfs/dbraw/zinc/92/53/47/1347925347.db2.gz BNCFZXPPUGTXGS-MOPGFXCFSA-N 2 0 340.471 3.059 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049656095 1347958427 /nfs/dbraw/zinc/95/84/27/1347958427.db2.gz VKBXWNUTGJXCQM-AABGKKOBSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001049707149 1347984152 /nfs/dbraw/zinc/98/41/52/1347984152.db2.gz CJWWGGVJGBMRRH-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716671 1347988728 /nfs/dbraw/zinc/98/87/28/1347988728.db2.gz GDRIROBDHWURPA-ZWKOTPCHSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049765792 1348009444 /nfs/dbraw/zinc/00/94/44/1348009444.db2.gz HZDYOZWXFJYYRR-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC(C)(C)C)CC1 ZINC001049767750 1348011277 /nfs/dbraw/zinc/01/12/77/1348011277.db2.gz QYJDJCMKTRAHAK-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049914882 1348109417 /nfs/dbraw/zinc/10/94/17/1348109417.db2.gz RQGRRJNUICMFSP-WOJBJXKFSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915604 1348109908 /nfs/dbraw/zinc/10/99/08/1348109908.db2.gz XFSVBAVLIAATLH-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C)CC1CCCC1 ZINC001050244810 1348217031 /nfs/dbraw/zinc/21/70/31/1348217031.db2.gz GRCLRBHTBLAMBG-FQEVSTJZSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368418 1348240675 /nfs/dbraw/zinc/24/06/75/1348240675.db2.gz VWFFUWLYILOGAH-MISYRCLQSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368083 1348240701 /nfs/dbraw/zinc/24/07/01/1348240701.db2.gz RIXHQNCICHQHGP-LEAZDLGRSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001050385701 1348246382 /nfs/dbraw/zinc/24/63/82/1348246382.db2.gz RSVKHKHAJGPTGO-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050688280 1348327726 /nfs/dbraw/zinc/32/77/26/1348327726.db2.gz ZQVIUFXHWASYLN-LJQANCHMSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052446995 1348543456 /nfs/dbraw/zinc/54/34/56/1348543456.db2.gz VHBPSLJLTLXJLZ-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652185 1348614018 /nfs/dbraw/zinc/61/40/18/1348614018.db2.gz UTKIYQQJAVVJKJ-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651891 1348614132 /nfs/dbraw/zinc/61/41/32/1348614132.db2.gz OLKHNGVFDVJNIG-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001052658595 1348617182 /nfs/dbraw/zinc/61/71/82/1348617182.db2.gz SPIUPNFRXKOQAH-IHPCNDPISA-N 2 0 347.547 3.188 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC1 ZINC001052819983 1348689650 /nfs/dbraw/zinc/68/96/50/1348689650.db2.gz KMSXWNIIMDIOJW-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052859595 1348705290 /nfs/dbraw/zinc/70/52/90/1348705290.db2.gz MZNJHIHOFBXVKS-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953659 1348768894 /nfs/dbraw/zinc/76/88/94/1348768894.db2.gz FDHQZNQKYCLBBY-VQIMIIECSA-N 2 0 349.494 3.081 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052955907 1348769912 /nfs/dbraw/zinc/76/99/12/1348769912.db2.gz LGNXZSMGANOBRH-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052955577 1348769949 /nfs/dbraw/zinc/76/99/49/1348769949.db2.gz HPLMZCNCXQHXPE-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052955404 1348770095 /nfs/dbraw/zinc/77/00/95/1348770095.db2.gz FLVGDQYCXZNUFB-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001054148373 1349154961 /nfs/dbraw/zinc/15/49/61/1349154961.db2.gz MEHBWPRRHNYUHS-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270497 1349269668 /nfs/dbraw/zinc/26/96/68/1349269668.db2.gz PFPKAPUKZJMXQB-UZLBHIALSA-N 2 0 343.515 3.149 20 0 EGADRP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270496 1349270179 /nfs/dbraw/zinc/27/01/79/1349270179.db2.gz PFPKAPUKZJMXQB-OXQOHEQNSA-N 2 0 343.515 3.149 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702085 1354861230 /nfs/dbraw/zinc/86/12/30/1354861230.db2.gz SYMSOWYRDJGPEF-MJGOQNOKSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCC1CCCC1 ZINC001071736090 1354888249 /nfs/dbraw/zinc/88/82/49/1354888249.db2.gz XIQLKBAGZNSJSG-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC1CCCCCC1 ZINC001071796821 1354941155 /nfs/dbraw/zinc/94/11/55/1354941155.db2.gz YADSCSWLRDXNOZ-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCC(C)(C)C ZINC001071821061 1354961109 /nfs/dbraw/zinc/96/11/09/1354961109.db2.gz ITGYNXAUTVRFMK-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CCCC1CCCC1 ZINC001071996255 1355065854 /nfs/dbraw/zinc/06/58/54/1355065854.db2.gz PQDVTAZJCKIXRP-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1CCC1CC1 ZINC001072096221 1355127242 /nfs/dbraw/zinc/12/72/42/1355127242.db2.gz VPTBSSIULBRKTB-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099702 1355129776 /nfs/dbraw/zinc/12/97/76/1355129776.db2.gz VXIJODQPIBWNJW-WMZOPIPTSA-N 2 0 331.504 3.131 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089736059 1360641217 /nfs/dbraw/zinc/64/12/17/1360641217.db2.gz UCMOHNFHGHSASO-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001072288595 1355222206 /nfs/dbraw/zinc/22/22/06/1355222206.db2.gz NYLIFNOOESTKJX-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033523 1355561123 /nfs/dbraw/zinc/56/11/23/1355561123.db2.gz NJWPTVGPOSNMST-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001094243332 1361758735 /nfs/dbraw/zinc/75/87/35/1361758735.db2.gz XWDYJDGNMAHORG-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2=CCCCC2)CC[N@@H+]1C ZINC001074015652 1356036204 /nfs/dbraw/zinc/03/62/04/1356036204.db2.gz IYWJNCMJIJEKGH-MISYRCLQSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)c1ccc(Cl)cc1 ZINC001075110895 1356310499 /nfs/dbraw/zinc/31/04/99/1356310499.db2.gz DCISIBPMQJZRCO-MPGHIAIKSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448158 1356380901 /nfs/dbraw/zinc/38/09/01/1356380901.db2.gz PKGOUZFUIGUOED-ICSRJNTNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001075461970 1356395802 /nfs/dbraw/zinc/39/58/02/1356395802.db2.gz XTXFYBJPBZIEIF-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256440 1387286298 /nfs/dbraw/zinc/28/62/98/1387286298.db2.gz WSLIIIDJKIVMLJ-SRXMEYSWSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098376 1363621346 /nfs/dbraw/zinc/62/13/46/1363621346.db2.gz OMBSIQLOPLJAFN-IRXDYDNUSA-N 2 0 343.531 3.073 20 0 EGADRP CC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001323147566 1387302617 /nfs/dbraw/zinc/30/26/17/1387302617.db2.gz GMEUYKPREMEKAV-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)c1ccccc1 ZINC001082561777 1358057051 /nfs/dbraw/zinc/05/70/51/1358057051.db2.gz PYPUALHOOPHAAD-LSTHTHJFSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001082782763 1358092409 /nfs/dbraw/zinc/09/24/09/1358092409.db2.gz OVVWZYNLGIWVLM-ZHALLVOQSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001183510345 1387315475 /nfs/dbraw/zinc/31/54/75/1387315475.db2.gz WVSRCDKRBGDONN-DYESRHJHSA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001183562429 1387319297 /nfs/dbraw/zinc/31/92/97/1387319297.db2.gz IJSMBFRDLDDAMB-TZIWHRDSSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101376 1358391271 /nfs/dbraw/zinc/39/12/71/1358391271.db2.gz HDVAYNQZBYBREY-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085245665 1358443272 /nfs/dbraw/zinc/44/32/72/1358443272.db2.gz HDPJZMLDZHGUSC-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001085295569 1358456095 /nfs/dbraw/zinc/45/60/95/1358456095.db2.gz NQZDMTZXCNXWPT-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085331850 1358470097 /nfs/dbraw/zinc/47/00/97/1358470097.db2.gz BOOICKYKHSDHOK-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)CC1 ZINC001085374484 1358481746 /nfs/dbraw/zinc/48/17/46/1358481746.db2.gz SRKBJFNWELFYIJ-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085389807 1358486522 /nfs/dbraw/zinc/48/65/22/1358486522.db2.gz WDWLIRMNNBBYGI-QRVBRYPASA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085432441 1358498570 /nfs/dbraw/zinc/49/85/70/1358498570.db2.gz XZMJHNXADFKEJR-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001323354495 1387349057 /nfs/dbraw/zinc/34/90/57/1387349057.db2.gz BBFSMTTYMQUNAV-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085854867 1358822382 /nfs/dbraw/zinc/82/23/82/1358822382.db2.gz JPNLQZUHXOEZCK-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001086122778 1359002952 /nfs/dbraw/zinc/00/29/52/1359002952.db2.gz YFHLATGNBKQEMJ-IZBJGVDFSA-N 2 0 343.515 3.025 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086253659 1359043010 /nfs/dbraw/zinc/04/30/10/1359043010.db2.gz PPQIKAGLMOWDGI-YSTOQKLRSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086364658 1359078612 /nfs/dbraw/zinc/07/86/12/1359078612.db2.gz MGUPTSHFVQADAQ-PWKSQPCKSA-N 2 0 349.563 3.170 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086712275 1359190159 /nfs/dbraw/zinc/19/01/59/1359190159.db2.gz YCYALINCWOIVPW-XUVXKRRUSA-N 2 0 347.547 3.236 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001086932993 1359256723 /nfs/dbraw/zinc/25/67/23/1359256723.db2.gz ZYXNGRVHMGINLS-MRXNPFEDSA-N 2 0 340.471 3.061 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001087181388 1359314797 /nfs/dbraw/zinc/31/47/97/1359314797.db2.gz OZKNRCNJAKOPBT-NZSAHSFTSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309167 1359396691 /nfs/dbraw/zinc/39/66/91/1359396691.db2.gz BQWVENUYDAPQNY-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001087572192 1359536748 /nfs/dbraw/zinc/53/67/48/1359536748.db2.gz GMCHBVGVWLKNRU-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087572999 1359537055 /nfs/dbraw/zinc/53/70/55/1359537055.db2.gz OWZNUYRBJJTAKE-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC(C)(C)C ZINC001087640554 1359566876 /nfs/dbraw/zinc/56/68/76/1359566876.db2.gz KAJFDXOFVOZIBW-DLBZAZTESA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)C ZINC001087699459 1359598351 /nfs/dbraw/zinc/59/83/51/1359598351.db2.gz VOPQMIGDAMZJOI-ZCNNSNEGSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CC1CCCCC1 ZINC001087840683 1359675637 /nfs/dbraw/zinc/67/56/37/1359675637.db2.gz JCOSPAIMHJCGFG-ZCNNSNEGSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1)C1CCC1 ZINC001088327047 1359831316 /nfs/dbraw/zinc/83/13/16/1359831316.db2.gz FCUCOCNWVYLIRS-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001088356721 1359840628 /nfs/dbraw/zinc/84/06/28/1359840628.db2.gz IRFFHZVRWHLAAY-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001088356788 1359840932 /nfs/dbraw/zinc/84/09/32/1359840932.db2.gz KFJMJTKJJRQQRH-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001088393923 1359870398 /nfs/dbraw/zinc/87/03/98/1359870398.db2.gz QPOIQMLZKWUHMT-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088413374 1359884228 /nfs/dbraw/zinc/88/42/28/1359884228.db2.gz DRUOIMOAQGJAEI-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCCCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001088426164 1359894238 /nfs/dbraw/zinc/89/42/38/1359894238.db2.gz MVVFFRSRFJTBGO-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088563840 1359974063 /nfs/dbraw/zinc/97/40/63/1359974063.db2.gz ISXFRVNMRZEWJJ-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088605004 1359988587 /nfs/dbraw/zinc/98/85/87/1359988587.db2.gz CJDMYQCJOVOSFP-HOJAQTOUSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622094 1359993561 /nfs/dbraw/zinc/99/35/61/1359993561.db2.gz HCXFGGLSXDKUOE-UXPWSPDFSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001323721440 1387431111 /nfs/dbraw/zinc/43/11/11/1387431111.db2.gz ICOXWXAJIWYMHG-IBGZPJMESA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088810117 1360059482 /nfs/dbraw/zinc/05/94/82/1360059482.db2.gz HHNWONMGFFAXPV-HOJAQTOUSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001088980586 1360123762 /nfs/dbraw/zinc/12/37/62/1360123762.db2.gz MICALNMAOLKOBQ-NEWSRXKRSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(C(C)C)n1 ZINC001323738503 1387439387 /nfs/dbraw/zinc/43/93/87/1387439387.db2.gz AFHMMGOZIDWXCH-QGZVFWFLSA-N 2 0 338.565 3.114 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089389893 1360391030 /nfs/dbraw/zinc/39/10/30/1360391030.db2.gz WNYDQIKEBKXSES-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089407275 1360405952 /nfs/dbraw/zinc/40/59/52/1360405952.db2.gz XUHYUSMVPPZDPC-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089420123 1360414574 /nfs/dbraw/zinc/41/45/74/1360414574.db2.gz JXGNUJPHKQXMCE-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001089458784 1360445365 /nfs/dbraw/zinc/44/53/65/1360445365.db2.gz OIWBHCKNSHZSKC-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486710 1360467004 /nfs/dbraw/zinc/46/70/04/1360467004.db2.gz BUIHSXSAFUXREN-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536270 1360495291 /nfs/dbraw/zinc/49/52/91/1360495291.db2.gz APGLIHANHOVNMA-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649088 1360561564 /nfs/dbraw/zinc/56/15/64/1360561564.db2.gz AJWZSILVHGQVRT-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671388 1360581482 /nfs/dbraw/zinc/58/14/82/1360581482.db2.gz QOFLWHMZQLCYLM-SFHVURJKSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CC2)CC1 ZINC001089718861 1360621045 /nfs/dbraw/zinc/62/10/45/1360621045.db2.gz WBMBUQBBYFRIAR-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2=CCCCC2)C1 ZINC001089731955 1360636141 /nfs/dbraw/zinc/63/61/41/1360636141.db2.gz ITQRRAHRYKKZRR-RTBURBONSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091319030 1361042644 /nfs/dbraw/zinc/04/26/44/1361042644.db2.gz ZSSGFMLVTRQDEJ-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091378646 1361068840 /nfs/dbraw/zinc/06/88/40/1361068840.db2.gz RIUKIIHSLVGXNX-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184584760 1387497730 /nfs/dbraw/zinc/49/77/30/1387497730.db2.gz IVUWYNNYHFQOIZ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092602612 1361420057 /nfs/dbraw/zinc/42/00/57/1361420057.db2.gz HLECPAPHWICXQA-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001094088629 1361736844 /nfs/dbraw/zinc/73/68/44/1361736844.db2.gz DUGQHBPOFFCNKE-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434234 1361800206 /nfs/dbraw/zinc/80/02/06/1361800206.db2.gz YQRVROGHAMKRSX-QKNQBKEWSA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094585036 1361871220 /nfs/dbraw/zinc/87/12/20/1361871220.db2.gz KRQVEZSGCHUJKS-TZIWHRDSSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096100962 1362382937 /nfs/dbraw/zinc/38/29/37/1362382937.db2.gz LEMHTVQZKOLNCX-RDGPPVDQSA-N 2 0 335.536 3.019 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001324262498 1387574239 /nfs/dbraw/zinc/57/42/39/1387574239.db2.gz GEERSVOLJUBYSN-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097639457 1363086298 /nfs/dbraw/zinc/08/62/98/1363086298.db2.gz WBVVCFWPHHMILJ-KURKYZTESA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097639009 1363086323 /nfs/dbraw/zinc/08/63/23/1363086323.db2.gz KXSMYMAFBNVWJP-ZACQAIPSSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097848979 1363141115 /nfs/dbraw/zinc/14/11/15/1363141115.db2.gz YKMZWAVUZRAOLA-AFYVEPGGSA-N 2 0 345.531 3.083 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001185089622 1387616512 /nfs/dbraw/zinc/61/65/12/1387616512.db2.gz BOVJTKXAUVFUCP-HMTUNPETSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001098191644 1363250495 /nfs/dbraw/zinc/25/04/95/1363250495.db2.gz MDRCBGVHLPTPQH-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098835300 1363487565 /nfs/dbraw/zinc/48/75/65/1363487565.db2.gz OFHFJABGHXTZTR-ZVDOUQERSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185171478 1387632641 /nfs/dbraw/zinc/63/26/41/1387632641.db2.gz WHWOQAHMOZFPPE-MGBKSAOESA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153400 1363659139 /nfs/dbraw/zinc/65/91/39/1363659139.db2.gz KFYAMKXVZPDCAR-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C)[NH+](C)C ZINC001099239628 1363708219 /nfs/dbraw/zinc/70/82/19/1363708219.db2.gz HUFCXPYDBWAZHN-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099309215 1363742551 /nfs/dbraw/zinc/74/25/51/1363742551.db2.gz BFFALZOWOWFBDU-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCC(C)C ZINC001099316687 1363746383 /nfs/dbraw/zinc/74/63/83/1363746383.db2.gz ZXUQCLXUAHRQBK-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001099347706 1363764153 /nfs/dbraw/zinc/76/41/53/1363764153.db2.gz AWPFCIRGHAALLS-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC(C[NH2+]C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C2CCCC2)C1 ZINC001324507455 1387656223 /nfs/dbraw/zinc/65/62/23/1387656223.db2.gz UDFFDOGLXILWBD-QLOJAFMTSA-N 2 0 349.563 3.029 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001324544900 1387665065 /nfs/dbraw/zinc/66/50/65/1387665065.db2.gz IFWBJGXNVYRNIQ-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100766171 1364251745 /nfs/dbraw/zinc/25/17/45/1364251745.db2.gz VBGFJDLRCQOJQN-ABHNRTSZSA-N 2 0 325.541 3.027 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036006 1364383090 /nfs/dbraw/zinc/38/30/90/1364383090.db2.gz GQPNDOIFVGBLEX-TUIVQVNQSA-N 2 0 349.563 3.338 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001101036349 1364383617 /nfs/dbraw/zinc/38/36/17/1364383617.db2.gz NXWAQDJNCNYJAJ-SOAGJPPSSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101037995 1364384386 /nfs/dbraw/zinc/38/43/86/1364384386.db2.gz ZAHDLVJVTYJCSS-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101257577 1364488697 /nfs/dbraw/zinc/48/86/97/1364488697.db2.gz AYBAVUXVPWMJNH-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101279318 1364496918 /nfs/dbraw/zinc/49/69/18/1364496918.db2.gz LEPHGJLMNCRKHF-LQWHRVPQSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@]2(C)C1 ZINC001101310775 1364505261 /nfs/dbraw/zinc/50/52/61/1364505261.db2.gz YIAAUBALSAKEIW-QUCCMNQESA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402400 1364546298 /nfs/dbraw/zinc/54/62/98/1364546298.db2.gz HCMHTAGXHWQIGA-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001101574731 1364629088 /nfs/dbraw/zinc/62/90/88/1364629088.db2.gz BDWMYECTOMRAKJ-HKUYNNGSSA-N 2 0 349.563 3.005 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C(C)(C)C[NH2+]CC=C(C)C)CC1 ZINC001101583328 1364635496 /nfs/dbraw/zinc/63/54/96/1364635496.db2.gz REYBIZRHXMDXDX-UHFFFAOYSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102191393 1364924684 /nfs/dbraw/zinc/92/46/84/1364924684.db2.gz ZKHNRSJCQHUGOM-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185444829 1387718262 /nfs/dbraw/zinc/71/82/62/1387718262.db2.gz CASOTQDNIIPYBZ-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001102595814 1365130019 /nfs/dbraw/zinc/13/00/19/1365130019.db2.gz XZHLDGURTJOEDC-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102598919 1365131312 /nfs/dbraw/zinc/13/13/12/1365131312.db2.gz GCVNACSFGPGNKC-UYAOXDASSA-N 2 0 347.547 3.047 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103004904 1365334234 /nfs/dbraw/zinc/33/42/34/1365334234.db2.gz FKQUTGXAZPLHDW-APJDINJDSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103085052 1365373186 /nfs/dbraw/zinc/37/31/86/1365373186.db2.gz BPUUGHHTISCRNC-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185547498 1387745046 /nfs/dbraw/zinc/74/50/46/1387745046.db2.gz HZQRMIXYWUWEKI-JCMVTEASSA-N 2 0 337.552 3.149 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185546833 1387745251 /nfs/dbraw/zinc/74/52/51/1387745251.db2.gz DSHUDWUTNSAKDV-OALUTQOASA-N 2 0 339.568 3.373 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103375113 1365523130 /nfs/dbraw/zinc/52/31/30/1365523130.db2.gz ZRTRJOGGTWFNMC-YZBXUTEPSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001103662557 1365710717 /nfs/dbraw/zinc/71/07/17/1365710717.db2.gz BBQODZQSGUXETB-YZBXUTEPSA-N 2 0 337.552 3.149 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662646 1365710958 /nfs/dbraw/zinc/71/09/58/1365710958.db2.gz IDGPDHPNORNTGJ-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001185609177 1387760359 /nfs/dbraw/zinc/76/03/59/1387760359.db2.gz FFFBIQOIRBLMFG-WOJBJXKFSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001185679307 1387775416 /nfs/dbraw/zinc/77/54/16/1387775416.db2.gz BKZCALGHKOGTNX-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001104373587 1365993184 /nfs/dbraw/zinc/99/31/84/1365993184.db2.gz YROAQORVUOTZRA-NVXWUHKLSA-N 2 0 342.487 3.131 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)CC(C)(C)C ZINC001185724222 1387785159 /nfs/dbraw/zinc/78/51/59/1387785159.db2.gz VAFCYYMHHDKSJZ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104624135 1366106374 /nfs/dbraw/zinc/10/63/74/1366106374.db2.gz PDIWUBKXEKQLQV-YKMDAGRBSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001105014519 1366274683 /nfs/dbraw/zinc/27/46/83/1366274683.db2.gz UBFUZQMYSXSARB-UYAOXDASSA-N 2 0 347.547 3.047 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396201 1366444483 /nfs/dbraw/zinc/44/44/83/1366444483.db2.gz JLFRKZSNNXYTTL-FXAWDEMLSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396204 1366444708 /nfs/dbraw/zinc/44/47/08/1366444708.db2.gz JLFRKZSNNXYTTL-YLJYHZDGSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H]2[NH+](CC(C)C)CC23CCC3)CC1 ZINC001105396745 1366445300 /nfs/dbraw/zinc/44/53/00/1366445300.db2.gz UUCYOUBVQDMETP-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544870 1366521551 /nfs/dbraw/zinc/52/15/51/1366521551.db2.gz WUKYBCNARKBOEI-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1)[NH+](C)C ZINC001105544767 1366521787 /nfs/dbraw/zinc/52/17/87/1366521787.db2.gz SYWBOAKRFMSERM-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563070 1366532196 /nfs/dbraw/zinc/53/21/96/1366532196.db2.gz CDKNQTYQMSMGTP-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105568528 1366536515 /nfs/dbraw/zinc/53/65/15/1366536515.db2.gz REFSINGVUZPIJE-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105572128 1366538714 /nfs/dbraw/zinc/53/87/14/1366538714.db2.gz IYYGTMFIDXVHMY-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282196 1366642958 /nfs/dbraw/zinc/64/29/58/1366642958.db2.gz XUUNZSZJCQVUPD-PWHNWJGYSA-N 2 0 337.552 3.003 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106478529 1366708072 /nfs/dbraw/zinc/70/80/72/1366708072.db2.gz YZABQCMQYPMXIC-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1)[NH+](CC)CC ZINC001106660706 1366768029 /nfs/dbraw/zinc/76/80/29/1366768029.db2.gz YCRLMBVYBLLVPV-MISYRCLQSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765541 1366792311 /nfs/dbraw/zinc/79/23/11/1366792311.db2.gz HMBPLBLMJHMERS-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1)C(C)C ZINC001106776588 1366794576 /nfs/dbraw/zinc/79/45/76/1366794576.db2.gz VIYDUIYQICLITF-GUDVDZBRSA-N 2 0 339.568 3.083 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328993 1366930385 /nfs/dbraw/zinc/93/03/85/1366930385.db2.gz DTBXDMLFAGSGRQ-FXLSLFEWSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495464 1366993945 /nfs/dbraw/zinc/99/39/45/1366993945.db2.gz OHWBCEDZJJZHLD-WIYYLYMNSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524420 1367019060 /nfs/dbraw/zinc/01/90/60/1367019060.db2.gz ZGHYQOBTIIMMDF-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552461 1367038660 /nfs/dbraw/zinc/03/86/60/1367038660.db2.gz NPUFWKIZKKVXQL-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598650 1367065530 /nfs/dbraw/zinc/06/55/30/1367065530.db2.gz PFABFSYZHMUTKE-YKMDAGRBSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632041 1367084240 /nfs/dbraw/zinc/08/42/40/1367084240.db2.gz NJLANNDGWNZHEJ-FXLSLFEWSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646074 1367090224 /nfs/dbraw/zinc/09/02/24/1367090224.db2.gz ARHVXMMQDJPNKU-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1)C1CCC1 ZINC001109410856 1367109051 /nfs/dbraw/zinc/10/90/51/1367109051.db2.gz YMPLRBBJCLQUPC-AABGKKOBSA-N 2 0 347.547 3.163 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473905 1367146061 /nfs/dbraw/zinc/14/60/61/1367146061.db2.gz JRQFVWISBMPKPP-CTKDGEJNSA-N 2 0 347.547 3.185 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC2)CCCCC1 ZINC001109560536 1367198402 /nfs/dbraw/zinc/19/84/02/1367198402.db2.gz GGWZWPVFLRGRKN-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2CCCC2)C1)[NH+](C)C ZINC001324960908 1387856028 /nfs/dbraw/zinc/85/60/28/1387856028.db2.gz KQHHPKQEQREXBX-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001190363362 1367240881 /nfs/dbraw/zinc/24/08/81/1367240881.db2.gz HZZLQSCKWSAHBH-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635582 1367255412 /nfs/dbraw/zinc/25/54/12/1367255412.db2.gz JNDSDZTZMQKPHI-CFXMGXPISA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001190492445 1367276394 /nfs/dbraw/zinc/27/63/94/1367276394.db2.gz CHWNMAXVWRDNKP-HXUWFJFHSA-N 2 0 345.531 3.400 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001109714671 1367290149 /nfs/dbraw/zinc/29/01/49/1367290149.db2.gz RZGDKOJZHRVXDD-WCIQWLHISA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)[NH+](CC)CC ZINC001109714592 1367290357 /nfs/dbraw/zinc/29/03/57/1367290357.db2.gz PQFCSAFAHKCSDW-WCIQWLHISA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001190653108 1367317405 /nfs/dbraw/zinc/31/74/05/1367317405.db2.gz BYWFUCGJOAKIJP-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001190996226 1367397396 /nfs/dbraw/zinc/39/73/96/1367397396.db2.gz BBCCYYMUFMQUPH-IEBWSBKVSA-N 2 0 345.531 3.319 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001190996474 1367398911 /nfs/dbraw/zinc/39/89/11/1367398911.db2.gz FTFBTGLCQSWVNS-JKSUJKDBSA-N 2 0 349.494 3.150 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001190997175 1367399320 /nfs/dbraw/zinc/39/93/20/1367399320.db2.gz RTNICNDGIWUMOM-QAPCUYQASA-N 2 0 349.494 3.150 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1C ZINC001109928392 1367408814 /nfs/dbraw/zinc/40/88/14/1367408814.db2.gz UJWWIMPYZTXBHX-HNJRGHQBSA-N 2 0 343.515 3.119 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001109968923 1367434541 /nfs/dbraw/zinc/43/45/41/1367434541.db2.gz IYJZDUYBVYZLEY-QYZOEREBSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001191223778 1367449918 /nfs/dbraw/zinc/44/99/18/1367449918.db2.gz PYHZQOBHIDUDNS-PMACEKPBSA-N 2 0 338.511 3.416 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@@H]1C ZINC001191416463 1367498861 /nfs/dbraw/zinc/49/88/61/1367498861.db2.gz IFTKDAXQAMDASI-RDJZCZTQSA-N 2 0 335.467 3.267 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114879 1367507928 /nfs/dbraw/zinc/50/79/28/1367507928.db2.gz LVTQGFRNESGQFA-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110158050 1367530407 /nfs/dbraw/zinc/53/04/07/1367530407.db2.gz GAGZEQFVEFTNPX-YDZRNGNQSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684102 1367560530 /nfs/dbraw/zinc/56/05/30/1367560530.db2.gz NUFGFKWLJNYEJM-MSOLQXFVSA-N 2 0 337.552 3.076 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108772254 1367587562 /nfs/dbraw/zinc/58/75/62/1367587562.db2.gz LDPVBXBVEYUSMG-GYMRMKKLSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108784128 1367595011 /nfs/dbraw/zinc/59/50/11/1367595011.db2.gz JGGNRHDVCZMTOE-HBTDMPEGSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823504 1367619987 /nfs/dbraw/zinc/61/99/87/1367619987.db2.gz OCKYKWHSXCXVAM-ZCNNSNEGSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923479 1367641298 /nfs/dbraw/zinc/64/12/98/1367641298.db2.gz WPBSCTQEIAQUEE-ILWWCXPUSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406910 1367775015 /nfs/dbraw/zinc/77/50/15/1367775015.db2.gz OXNXDRQIBBBYOH-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576665 1367843855 /nfs/dbraw/zinc/84/38/55/1367843855.db2.gz VELGCFPSJDOKCU-SHNQHYOOSA-N 2 0 347.547 3.185 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192672621 1367847374 /nfs/dbraw/zinc/84/73/74/1367847374.db2.gz WDERMLBRJXQNSQ-MSOLQXFVSA-N 2 0 337.552 3.218 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110661596 1367904138 /nfs/dbraw/zinc/90/41/38/1367904138.db2.gz ZMAQAPRFWAKRRK-ZFTSPJNCSA-N 2 0 347.547 3.327 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1)C(C)C ZINC001192917651 1367904367 /nfs/dbraw/zinc/90/43/67/1367904367.db2.gz PVNTUKRHCANMRJ-ROUUACIJSA-N 2 0 343.531 3.025 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)C1CC1 ZINC001110666818 1367906778 /nfs/dbraw/zinc/90/67/78/1367906778.db2.gz WKZDBIJZYZXJJJ-ZRNYENFQSA-N 2 0 347.547 3.019 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110808408 1368002519 /nfs/dbraw/zinc/00/25/19/1368002519.db2.gz DWJCFBXFBKRJKA-YOOHZWDDSA-N 2 0 338.455 3.026 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382039 1368016182 /nfs/dbraw/zinc/01/61/82/1368016182.db2.gz FKNKOXZOQLAFEJ-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1 ZINC001193383698 1368017347 /nfs/dbraw/zinc/01/73/47/1368017347.db2.gz WRONVQVBDSEFTE-RTBURBONSA-N 2 0 335.536 3.140 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001193610459 1368074053 /nfs/dbraw/zinc/07/40/53/1368074053.db2.gz PIJZHRYTNWVUQN-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](CC)c2ccc(F)cc2)C1 ZINC001193639555 1368081975 /nfs/dbraw/zinc/08/19/75/1368081975.db2.gz AUENHYCFFBQOKX-RBUKOAKNSA-N 2 0 349.494 3.151 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194265208 1368219526 /nfs/dbraw/zinc/21/95/26/1368219526.db2.gz BXQWWMNDZHKFMV-ZSQQTYLHSA-N 2 0 335.536 3.140 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273809 1368220293 /nfs/dbraw/zinc/22/02/93/1368220293.db2.gz BDWYTUZEXPTHCT-WWTANLFGSA-N 2 0 349.563 3.386 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297722 1368257634 /nfs/dbraw/zinc/25/76/34/1368257634.db2.gz QWRDRVMVIDKTNU-NBYUQASBSA-N 2 0 343.515 3.201 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001111298786 1368258585 /nfs/dbraw/zinc/25/85/85/1368258585.db2.gz QMCBLAIWPZIHFF-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415980 1368304302 /nfs/dbraw/zinc/30/43/02/1368304302.db2.gz CYRHDPXKDHYRQC-QRVBRYPASA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467714 1368312890 /nfs/dbraw/zinc/31/28/90/1368312890.db2.gz SRJSFJJWLMULSU-YSTOQKLRSA-N 2 0 349.563 3.265 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782808 1368460581 /nfs/dbraw/zinc/46/05/81/1368460581.db2.gz ZBXCVJGJSSWZPM-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1sccc1-c1ccccc1 ZINC001195723643 1368477990 /nfs/dbraw/zinc/47/79/90/1368477990.db2.gz XIRYZMROUXVPLX-UHFFFAOYSA-N 2 0 344.484 3.093 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870610 1368518210 /nfs/dbraw/zinc/51/82/10/1368518210.db2.gz GQTLNDAALUIPSR-NGVHCFEESA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870724 1368518254 /nfs/dbraw/zinc/51/82/54/1368518254.db2.gz LOQJXQAJJXSISK-BJLQDIEVSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001111890843 1368535753 /nfs/dbraw/zinc/53/57/53/1368535753.db2.gz BOXYPHUTPWGAMK-ZJOUEHCJSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC)C2 ZINC001111903791 1368547595 /nfs/dbraw/zinc/54/75/95/1368547595.db2.gz PXTJGWKZJWGMOX-ICSRJNTNSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196717899 1368668866 /nfs/dbraw/zinc/66/88/66/1368668866.db2.gz FFFNXWVWQPAPLY-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC001196935383 1368716509 /nfs/dbraw/zinc/71/65/09/1368716509.db2.gz HNRCKKNBMQITQO-RTWAWAEBSA-N 2 0 348.506 3.316 20 0 EGADRP C[N@H+](CC(=O)N1CCC[NH+](CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001197188049 1368761199 /nfs/dbraw/zinc/76/11/99/1368761199.db2.gz STXTZKPOKQKRTH-UHFFFAOYSA-N 2 0 349.563 3.389 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330879 1368789521 /nfs/dbraw/zinc/78/95/21/1368789521.db2.gz FBUXUOMEZGNCBC-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477966 1368822508 /nfs/dbraw/zinc/82/25/08/1368822508.db2.gz RAFLTARYFHCSEU-SFHVURJKSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001112567817 1368930794 /nfs/dbraw/zinc/93/07/94/1368930794.db2.gz JXCIAECRSBLVBY-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001198129155 1368964924 /nfs/dbraw/zinc/96/49/24/1368964924.db2.gz JIBCPSGEHUMBQK-UHFFFAOYSA-N 2 0 347.547 3.287 20 0 EGADRP CC[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC001199137797 1369183943 /nfs/dbraw/zinc/18/39/43/1369183943.db2.gz YYNRRKYTTYULNG-IBGZPJMESA-N 2 0 338.499 3.117 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001199722717 1369261194 /nfs/dbraw/zinc/26/11/94/1369261194.db2.gz WVFLAQCFCDKYPH-FXAWDEMLSA-N 2 0 332.532 3.209 20 0 EGADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200578030 1369393797 /nfs/dbraw/zinc/39/37/97/1369393797.db2.gz KCSCODQETIAIJC-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001200621299 1369401357 /nfs/dbraw/zinc/40/13/57/1369401357.db2.gz HJNYKOIIRNSECT-UYAOXDASSA-N 2 0 330.516 3.346 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)Oc1ccc(F)cc1 ZINC001200762248 1369424282 /nfs/dbraw/zinc/42/42/82/1369424282.db2.gz VPMBHMNXRLEQRT-INIZCTEOSA-N 2 0 346.446 3.323 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC001113528708 1369478816 /nfs/dbraw/zinc/47/88/16/1369478816.db2.gz MTMZPLINVOPWSS-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001201392543 1369533896 /nfs/dbraw/zinc/53/38/96/1369533896.db2.gz ACSHVOMPYKHFLJ-PLNGDYQASA-N 2 0 340.471 3.193 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC001201399243 1369536757 /nfs/dbraw/zinc/53/67/57/1369536757.db2.gz BGJIVIOFFBBPEZ-UHFFFAOYSA-N 2 0 338.499 3.239 20 0 EGADRP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001201408218 1369538578 /nfs/dbraw/zinc/53/85/78/1369538578.db2.gz CDAIUYYNCSRNCX-ROUUACIJSA-N 2 0 334.504 3.082 20 0 EGADRP CC(C)c1c(Cl)ncnc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201659216 1369597701 /nfs/dbraw/zinc/59/77/01/1369597701.db2.gz RSLKNEPFEYVVGW-UHFFFAOYSA-N 2 0 346.866 3.144 20 0 EGADRP CC(C)Oc1ccccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201666651 1369601657 /nfs/dbraw/zinc/60/16/57/1369601657.db2.gz VDMIATQXBPXMDU-UHFFFAOYSA-N 2 0 326.444 3.364 20 0 EGADRP Cc1c(Cl)ccc(N)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667666 1369601889 /nfs/dbraw/zinc/60/18/89/1369601889.db2.gz YUABQXDGWYWJCL-UHFFFAOYSA-N 2 0 331.851 3.121 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001325625921 1388013971 /nfs/dbraw/zinc/01/39/71/1388013971.db2.gz NHWQRNXPPNLYAE-LLVKDONJSA-N 2 0 326.366 3.183 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1Cl ZINC001201778594 1369622796 /nfs/dbraw/zinc/62/27/96/1369622796.db2.gz XWRNEYYPEROXEN-UHFFFAOYSA-N 2 0 333.863 3.274 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201838913 1369632205 /nfs/dbraw/zinc/63/22/05/1369632205.db2.gz HIDFKYNAVXNRLW-WAYWQWQTSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CC(CC)CC)CC2)C1 ZINC001202144807 1369700509 /nfs/dbraw/zinc/70/05/09/1369700509.db2.gz JZDOBPSWQYXDNE-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144795 1369700659 /nfs/dbraw/zinc/70/06/59/1369700659.db2.gz JLNPFNXQQQZIEE-DUMMIQTOSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001202145090 1369701187 /nfs/dbraw/zinc/70/11/87/1369701187.db2.gz RWFNFVIRDZKWNC-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156791 1369702790 /nfs/dbraw/zinc/70/27/90/1369702790.db2.gz LFQRBFLQMWADBW-IBGZPJMESA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202238285 1369721096 /nfs/dbraw/zinc/72/10/96/1369721096.db2.gz ASFFNVAEBLHDDT-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001202239223 1369721576 /nfs/dbraw/zinc/72/15/76/1369721576.db2.gz TYYCGTYNBDEHKD-LJQANCHMSA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]21 ZINC001202486487 1369787217 /nfs/dbraw/zinc/78/72/17/1369787217.db2.gz NSVRAEWKDWDTDP-QFHJOOASSA-N 2 0 334.529 3.317 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc2c[nH+]cn21 ZINC001325673282 1388026564 /nfs/dbraw/zinc/02/65/64/1388026564.db2.gz MTMUUJUVENJPBX-LIRRHRJNSA-N 2 0 336.439 3.064 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001114287078 1369852505 /nfs/dbraw/zinc/85/25/05/1369852505.db2.gz FDCUGBVFJCFYHK-ZKXHPHHLSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001202765686 1369884245 /nfs/dbraw/zinc/88/42/45/1369884245.db2.gz ZGMNUTJAMDCXMZ-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202872257 1369913664 /nfs/dbraw/zinc/91/36/64/1369913664.db2.gz CTBZEQKICLBGJD-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CCC1(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)COC1 ZINC001202926100 1369928058 /nfs/dbraw/zinc/92/80/58/1369928058.db2.gz HQNNDJOWYVNDNL-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001202947132 1369933689 /nfs/dbraw/zinc/93/36/89/1369933689.db2.gz GMMPOTFWUVYKFI-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C23CCC3)CCC1 ZINC001203027553 1369959466 /nfs/dbraw/zinc/95/94/66/1369959466.db2.gz GONZDXNJAPNIMJ-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2)C1CCC1 ZINC001203035994 1369962750 /nfs/dbraw/zinc/96/27/50/1369962750.db2.gz IRHJVWYHRUTJKO-ZWKOTPCHSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2)C1CCC1 ZINC001203035993 1369962786 /nfs/dbraw/zinc/96/27/86/1369962786.db2.gz IRHJVWYHRUTJKO-ROUUACIJSA-N 2 0 349.563 3.314 20 0 EGADRP CCc1cc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)on1 ZINC001203227372 1370031741 /nfs/dbraw/zinc/03/17/41/1370031741.db2.gz YDRQUNNKBOKTTR-UHFFFAOYSA-N 2 0 325.456 3.335 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259975 1370047078 /nfs/dbraw/zinc/04/70/78/1370047078.db2.gz ZKRGTHAIEOWNOI-ROUUACIJSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH2+]C/C=C/Cl)CC1)c1ccccc1 ZINC001203312224 1370077410 /nfs/dbraw/zinc/07/74/10/1370077410.db2.gz BJLCYFSQCCNFAD-VWGXWWAPSA-N 2 0 349.906 3.013 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001203330694 1370084567 /nfs/dbraw/zinc/08/45/67/1370084567.db2.gz PNYJISCRINSSDT-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203414631 1370117579 /nfs/dbraw/zinc/11/75/79/1370117579.db2.gz NQRVRNGZZFDYRK-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CCOc1ccccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001203535467 1370159169 /nfs/dbraw/zinc/15/91/69/1370159169.db2.gz VNTXFACVDRHVDL-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]([NH2+]CCC(C)(C)C)C23CCC3)CC1 ZINC001203540315 1370161909 /nfs/dbraw/zinc/16/19/09/1370161909.db2.gz VGSLEFGZIOZHJC-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203640949 1370197567 /nfs/dbraw/zinc/19/75/67/1370197567.db2.gz KYKXDAZZBKPCFQ-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641640 1370199034 /nfs/dbraw/zinc/19/90/34/1370199034.db2.gz SQQTXXDUONSMQC-DFOOCIKTSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203781792 1370261628 /nfs/dbraw/zinc/26/16/28/1370261628.db2.gz LBSLGPPNIISGJM-RBUKOAKNSA-N 2 0 349.563 3.460 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203783970 1370262568 /nfs/dbraw/zinc/26/25/68/1370262568.db2.gz YSPWBEBJTXSUJJ-ROUUACIJSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203791215 1370265935 /nfs/dbraw/zinc/26/59/35/1370265935.db2.gz FKEWSDCGQGYGRB-MOPGFXCFSA-N 2 0 347.547 3.234 20 0 EGADRP COc1cccc(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001203822471 1370278008 /nfs/dbraw/zinc/27/80/08/1370278008.db2.gz RGYHLOJKHLNEJJ-PZJWPPBQSA-N 2 0 344.499 3.018 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823561 1370278869 /nfs/dbraw/zinc/27/88/69/1370278869.db2.gz LVUFSRDGEMVSAX-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203825286 1370281040 /nfs/dbraw/zinc/28/10/40/1370281040.db2.gz SJYLIVGLLLAWQJ-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001203877575 1370297688 /nfs/dbraw/zinc/29/76/88/1370297688.db2.gz YAFOEUVRCGMUNY-SNAWJCMRSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203903774 1370307501 /nfs/dbraw/zinc/30/75/01/1370307501.db2.gz NMLROSBGPTVQMB-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203904522 1370308892 /nfs/dbraw/zinc/30/88/92/1370308892.db2.gz ZGXUHFMFEKONAD-ROUKRRSUSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)c1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001203925015 1370316938 /nfs/dbraw/zinc/31/69/38/1370316938.db2.gz IKUZMBSHXRVYRB-UHFFFAOYSA-N 2 0 345.531 3.231 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204046984 1370359470 /nfs/dbraw/zinc/35/94/70/1370359470.db2.gz CCZQWENGLUCSGF-UHFFFAOYSA-N 2 0 342.531 3.408 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC001204270144 1370427741 /nfs/dbraw/zinc/42/77/41/1370427741.db2.gz QFOORDYQBWPOQD-FQEVSTJZSA-N 2 0 332.488 3.020 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1 ZINC001204272121 1370428168 /nfs/dbraw/zinc/42/81/68/1370428168.db2.gz WHFURZIYYCBMFK-UHFFFAOYSA-N 2 0 334.504 3.407 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543676 1370540113 /nfs/dbraw/zinc/54/01/13/1370540113.db2.gz VMGRPQKLDMMDFD-SJLPKXTDSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115571684 1370573906 /nfs/dbraw/zinc/57/39/06/1370573906.db2.gz KFDWASRCHGBOGL-IBGZPJMESA-N 2 0 349.563 3.458 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1)C1CCC1 ZINC001115574772 1370577683 /nfs/dbraw/zinc/57/76/83/1370577683.db2.gz PJJKFYAVXYPJLY-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CCCCCF)CCCCC1)C1CCC1 ZINC001115574910 1370577796 /nfs/dbraw/zinc/57/77/96/1370577796.db2.gz XXWXKKHSEMEJMF-UHFFFAOYSA-N 2 0 341.515 3.019 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001115591907 1370592871 /nfs/dbraw/zinc/59/28/71/1370592871.db2.gz KKJHYZQZBWWPJT-RBUKOAKNSA-N 2 0 347.547 3.212 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001115591918 1370592954 /nfs/dbraw/zinc/59/29/54/1370592954.db2.gz KULMROGPAYPECL-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP C[C@H](F)CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630297 1370623853 /nfs/dbraw/zinc/62/38/53/1370623853.db2.gz JJWOZZPIEQQGKX-HNNXBMFYSA-N 2 0 346.450 3.105 20 0 EGADRP Cn1cc(C[NH+]2CCC(C[NH3+])CC2)c2cc(Br)ccc21 ZINC001205041557 1370636295 /nfs/dbraw/zinc/63/62/95/1370636295.db2.gz WVPIUZMNEXUFHI-UHFFFAOYSA-N 2 0 336.277 3.112 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001205228409 1370687897 /nfs/dbraw/zinc/68/78/97/1370687897.db2.gz FQRHLBFPMZVVOF-AWEZNQCLSA-N 2 0 336.785 3.035 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccccc2-c2ccc(F)cc2)CC1 ZINC001205239462 1370692057 /nfs/dbraw/zinc/69/20/57/1370692057.db2.gz BQWIDJDFMZHHCV-HXUWFJFHSA-N 2 0 328.431 3.168 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1)[NH+](C)C ZINC001115715318 1370694395 /nfs/dbraw/zinc/69/43/95/1370694395.db2.gz DNTZPRLZDYNBAR-LJQANCHMSA-N 2 0 345.531 3.182 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC1 ZINC001205247376 1370694558 /nfs/dbraw/zinc/69/45/58/1370694558.db2.gz GHVVWCINDQEQBN-FQEVSTJZSA-N 2 0 328.431 3.168 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730018 1370712517 /nfs/dbraw/zinc/71/25/17/1370712517.db2.gz BBDIBAGPBHMDKS-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001205303843 1370714364 /nfs/dbraw/zinc/71/43/64/1370714364.db2.gz LLJMATNRGPCIDA-ZBFHGGJFSA-N 2 0 328.456 3.274 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc3ncc(Br)cc3c2)C[C@@H]1C[NH3+] ZINC001205317679 1370720006 /nfs/dbraw/zinc/72/00/06/1370720006.db2.gz PLKWYUNQFHUGAO-DOMZBBRYSA-N 2 0 348.288 3.414 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205518776 1370778393 /nfs/dbraw/zinc/77/83/93/1370778393.db2.gz KNYJHQCHATWBCE-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545608 1370786515 /nfs/dbraw/zinc/78/65/15/1370786515.db2.gz KEJFPZNDDVOQOD-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCCC1 ZINC001115805666 1370788974 /nfs/dbraw/zinc/78/89/74/1370788974.db2.gz ANLHBJVNLDTPSC-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001205570046 1370794545 /nfs/dbraw/zinc/79/45/45/1370794545.db2.gz DHFYFMVDUFYGOC-CYBMUJFWSA-N 2 0 339.764 3.407 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205570017 1370794645 /nfs/dbraw/zinc/79/46/45/1370794645.db2.gz COFYWWORYCQZGD-CQSZACIVSA-N 2 0 338.320 3.377 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205570065 1370795208 /nfs/dbraw/zinc/79/52/08/1370795208.db2.gz DUOLSNQSUWPYIZ-CQSZACIVSA-N 2 0 338.320 3.377 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205570073 1370795363 /nfs/dbraw/zinc/79/53/63/1370795363.db2.gz DYLJXUZOJGYICD-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205602243 1370806865 /nfs/dbraw/zinc/80/68/65/1370806865.db2.gz HVVMSLPBXNLJCZ-VQIMIIECSA-N 2 0 332.488 3.103 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001205602635 1370807855 /nfs/dbraw/zinc/80/78/55/1370807855.db2.gz KSQSMCUKLNXVBE-WIYYLYMNSA-N 3 0 329.532 3.205 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC[C@@H]1C[NH3+] ZINC001205636879 1370822171 /nfs/dbraw/zinc/82/21/71/1370822171.db2.gz FUYSOYPPCHRHNE-YLJYHZDGSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205653358 1370828643 /nfs/dbraw/zinc/82/86/43/1370828643.db2.gz SWFAXTVRVSPZBK-NWDGAFQWSA-N 2 0 332.366 3.098 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651629 1370829025 /nfs/dbraw/zinc/82/90/25/1370829025.db2.gz HSTPAHFUXXNIPQ-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001205664147 1370834813 /nfs/dbraw/zinc/83/48/13/1370834813.db2.gz MPPQPSQCJIBXGE-MRXNPFEDSA-N 2 0 331.287 3.102 20 0 EGADRP CCCCCCOc1ccccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205665693 1370835011 /nfs/dbraw/zinc/83/50/11/1370835011.db2.gz TYOBOYULXSQZCW-HXUWFJFHSA-N 2 0 334.504 3.321 20 0 EGADRP CC(C)C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001205922839 1370912557 /nfs/dbraw/zinc/91/25/57/1370912557.db2.gz BNDXQHJGOWDSDX-UHFFFAOYSA-N 2 0 339.483 3.033 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1OC ZINC001206002806 1370934724 /nfs/dbraw/zinc/93/47/24/1370934724.db2.gz BISHFQINPULXBN-OLZOCXBDSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(Br)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206004396 1370935566 /nfs/dbraw/zinc/93/55/66/1370935566.db2.gz SAQFUASXUZSNSE-WCQYABFASA-N 2 0 329.257 3.395 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206023291 1370941502 /nfs/dbraw/zinc/94/15/02/1370941502.db2.gz FQHWXUYVOPGSGS-KGLIPLIRSA-N 2 0 338.879 3.324 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)cc21 ZINC001206027942 1370942308 /nfs/dbraw/zinc/94/23/08/1370942308.db2.gz XJWFAFLYYVUJHY-APWZRJJASA-N 3 0 327.516 3.495 20 0 EGADRP O=C(C[NH2+][C@@H]1CCCC12CCCCC2)NCC[NH+]1CCCCCC1 ZINC001206048383 1370948468 /nfs/dbraw/zinc/94/84/68/1370948468.db2.gz SWZBDVKFRHROHS-GOSISDBHSA-N 2 0 335.536 3.071 20 0 EGADRP C[C@]1(C[NH3+])CCCN(Cc2cc(Br)cnc2Cl)CC1 ZINC001206304434 1371016067 /nfs/dbraw/zinc/01/60/67/1371016067.db2.gz KMSCRAGSBIIVSE-AWEZNQCLSA-N 2 0 346.700 3.448 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001206327387 1371023419 /nfs/dbraw/zinc/02/34/19/1371023419.db2.gz WAMPKOZEIQXNIK-HNNXBMFYSA-N 2 0 332.366 3.242 20 0 EGADRP [NH3+]CCC1CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001206500298 1371074648 /nfs/dbraw/zinc/07/46/48/1371074648.db2.gz KUOJQNMWBWKULI-UHFFFAOYSA-N 2 0 325.294 3.443 20 0 EGADRP Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(C)c1-c1ccc(F)cc1F ZINC001206535520 1371085954 /nfs/dbraw/zinc/08/59/54/1371085954.db2.gz LOMWDYIGLDKSKH-KXBFYZLASA-N 2 0 346.421 3.000 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1OC(F)F ZINC001206548127 1371090542 /nfs/dbraw/zinc/09/05/42/1371090542.db2.gz HDJZCTURWBFMCP-KRWDZBQOSA-N 2 0 328.403 3.248 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206548945 1371090553 /nfs/dbraw/zinc/09/05/53/1371090553.db2.gz SJGZXBOOOXTILB-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(OC(F)(F)F)ccc2N)C1 ZINC001206554887 1371091869 /nfs/dbraw/zinc/09/18/69/1371091869.db2.gz IAIHWYGZOOAPAJ-HNNXBMFYSA-N 2 0 331.382 3.118 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615546 1371109900 /nfs/dbraw/zinc/10/99/00/1371109900.db2.gz IJFUPFUJBANDQF-GFCCVEGCSA-N 2 0 332.366 3.155 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628939 1371113683 /nfs/dbraw/zinc/11/36/83/1371113683.db2.gz ZPARMLXKDAVUAQ-LJQANCHMSA-N 2 0 339.568 3.371 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001206653410 1371121852 /nfs/dbraw/zinc/12/18/52/1371121852.db2.gz BOBAYIRWUUVUIY-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001118059911 1371126648 /nfs/dbraw/zinc/12/66/48/1371126648.db2.gz UVEOYGLEINTLTA-LPHOPBHVSA-N 2 0 326.488 3.416 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]C3CCC(F)(F)CC3)c2)CC1 ZINC001118172519 1371141291 /nfs/dbraw/zinc/14/12/91/1371141291.db2.gz OXHZWJRSZKZCSC-UHFFFAOYSA-N 2 0 337.458 3.102 20 0 EGADRP Cc1nc2cc(C)ccn2c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206750238 1371153085 /nfs/dbraw/zinc/15/30/85/1371153085.db2.gz WYMJEVXDRFVKPB-UHFFFAOYSA-N 2 0 348.494 3.444 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001206794705 1371169426 /nfs/dbraw/zinc/16/94/26/1371169426.db2.gz PYXKSHODUFNIBP-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001206872867 1371199000 /nfs/dbraw/zinc/19/90/00/1371199000.db2.gz WMZJRBICGJMWRO-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC001206883268 1371204976 /nfs/dbraw/zinc/20/49/76/1371204976.db2.gz YDHBQCCSIFQHSY-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001206890338 1371209356 /nfs/dbraw/zinc/20/93/56/1371209356.db2.gz MJHUUSCXNWWDIK-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC001206890220 1371209908 /nfs/dbraw/zinc/20/99/08/1371209908.db2.gz HBNZEBUKGSLWHU-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001206929199 1371229460 /nfs/dbraw/zinc/22/94/60/1371229460.db2.gz YTENCSVZTOKHNB-RTBURBONSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206947661 1371239893 /nfs/dbraw/zinc/23/98/93/1371239893.db2.gz DQFFPLAXPLSAGX-CALCHBBNSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951282 1371242618 /nfs/dbraw/zinc/24/26/18/1371242618.db2.gz IXAANFPCRCKVKO-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP Cc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)s1 ZINC001207060647 1371282647 /nfs/dbraw/zinc/28/26/47/1371282647.db2.gz QUNOLSAMVWXXRH-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP Cc1nccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001207169352 1371317630 /nfs/dbraw/zinc/31/76/30/1371317630.db2.gz IZBFMICKAJYUGF-VQTJNVASSA-N 2 0 336.483 3.129 20 0 EGADRP CN(CC1CC[NH+](CC(C)(C)C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001207285231 1371350587 /nfs/dbraw/zinc/35/05/87/1371350587.db2.gz DRPBZMVRZXNQJF-UHFFFAOYSA-N 2 0 341.540 3.153 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(C)O ZINC001207287643 1371351715 /nfs/dbraw/zinc/35/17/15/1371351715.db2.gz VJWKWYBOBKNBCV-NQIIRXRSSA-N 2 0 330.516 3.382 20 0 EGADRP COC(=O)[C@@H]1CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC001207292340 1371352680 /nfs/dbraw/zinc/35/26/80/1371352680.db2.gz OIPIWXIWFHXKEW-YLJYHZDGSA-N 2 0 344.499 3.172 20 0 EGADRP COC(=O)CC[C@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292565 1371352709 /nfs/dbraw/zinc/35/27/09/1371352709.db2.gz USTGZDQQWMGBEN-IBGZPJMESA-N 2 0 344.499 3.174 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2nccc3ccccc32)C1 ZINC001119510659 1371357794 /nfs/dbraw/zinc/35/77/94/1371357794.db2.gz WYJXXJDPLYELCT-FQEVSTJZSA-N 2 0 347.462 3.091 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001207467680 1371403473 /nfs/dbraw/zinc/40/34/73/1371403473.db2.gz HHDFYZSZVKBYJG-VURPSTOHSA-N 2 0 343.515 3.041 20 0 EGADRP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207480009 1371408947 /nfs/dbraw/zinc/40/89/47/1371408947.db2.gz SRHWUPFBGOXPMV-QGZVFWFLSA-N 2 0 333.495 3.064 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207481812 1371409398 /nfs/dbraw/zinc/40/93/98/1371409398.db2.gz PTSMXDYDXUCKNC-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP COc1ccccc1[C@H](O)C[N@H+](CCC1CC[NH+](C)CC1)C(C)C ZINC001207486865 1371410898 /nfs/dbraw/zinc/41/08/98/1371410898.db2.gz OHAVTEDDRWZNCP-LJQANCHMSA-N 2 0 334.504 3.171 20 0 EGADRP COc1cccc(CCC[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001207572669 1371439281 /nfs/dbraw/zinc/43/92/81/1371439281.db2.gz BCSBVUUALOMUGN-IBGZPJMESA-N 2 0 326.440 3.485 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001119987981 1371442924 /nfs/dbraw/zinc/44/29/24/1371442924.db2.gz DAQOXZIQMITBGT-SCTDSRPQSA-N 2 0 339.483 3.406 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001119987975 1371443087 /nfs/dbraw/zinc/44/30/87/1371443087.db2.gz DAQOXZIQMITBGT-JENIJYKNSA-N 2 0 339.483 3.406 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001120005440 1371452233 /nfs/dbraw/zinc/45/22/33/1371452233.db2.gz QDYCFKWIBATTKL-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)n1nc(CN(C)C)c2c1C[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620976 1371453947 /nfs/dbraw/zinc/45/39/47/1371453947.db2.gz YIAFOSKMWDTYLM-BBWFWOEESA-N 2 0 328.504 3.096 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001120046396 1371468363 /nfs/dbraw/zinc/46/83/63/1371468363.db2.gz XJQACXRXOWRZEF-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CCCCC2)C1 ZINC001120129837 1371492329 /nfs/dbraw/zinc/49/23/29/1371492329.db2.gz OSELZCXWCIXIGZ-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391847 1371559270 /nfs/dbraw/zinc/55/92/70/1371559270.db2.gz HWXMVRBSWZHZHW-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208049643 1371580265 /nfs/dbraw/zinc/58/02/65/1371580265.db2.gz PEOQGMFXSVUNBX-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120468126 1371587280 /nfs/dbraw/zinc/58/72/80/1371587280.db2.gz BYXSRJSZDOSPCH-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP c1cnn(CCC[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001208084472 1371590791 /nfs/dbraw/zinc/59/07/91/1371590791.db2.gz SDTQLCZKOWVIJQ-DOIPELPJSA-N 2 0 340.515 3.168 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001208110731 1371597512 /nfs/dbraw/zinc/59/75/12/1371597512.db2.gz FSDWURNUMHRACE-RTBURBONSA-N 2 0 344.499 3.345 20 0 EGADRP COc1ccc(C(=O)C2CC[NH+](CC3(C)CC[NH+](C)CC3)CC2)cc1 ZINC001208113400 1371600149 /nfs/dbraw/zinc/60/01/49/1371600149.db2.gz HREWSNPRUPSBIJ-UHFFFAOYSA-N 2 0 344.499 3.322 20 0 EGADRP C[NH+](C)CC1(CN2CCN(C/C=C/c3ccccc3)CC2)CCCC1 ZINC001208184520 1371624136 /nfs/dbraw/zinc/62/41/36/1371624136.db2.gz MBTXSXZOTHTOFJ-DHZHZOJOSA-N 2 0 341.543 3.439 20 0 EGADRP C[NH+](C)CC1(C[N@H+](Cc2cccnc2)C2CCOCC2)CCCC1 ZINC001208192766 1371630239 /nfs/dbraw/zinc/63/02/39/1371630239.db2.gz YICFUDCHWRMHTH-UHFFFAOYSA-N 2 0 331.504 3.185 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258170 1371686706 /nfs/dbraw/zinc/68/67/06/1371686706.db2.gz BVUCXJHTVYUGSU-ZBFHGGJFSA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001208330647 1371719113 /nfs/dbraw/zinc/71/91/13/1371719113.db2.gz BNSVPZPKMUFSKQ-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411479 1371758272 /nfs/dbraw/zinc/75/82/72/1371758272.db2.gz VLRJDJPXAAMCGW-VZSQWMKGSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411633 1371758801 /nfs/dbraw/zinc/75/88/01/1371758801.db2.gz ZIAKDBJDZBXFHY-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208575781 1371824259 /nfs/dbraw/zinc/82/42/59/1371824259.db2.gz VEPQUXBKFZQZOV-FEWTUCSOSA-N 2 0 337.552 3.290 20 0 EGADRP CCOC(=O)[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)C[C@H]2CCCC[C@@H]12 ZINC001208593450 1371833025 /nfs/dbraw/zinc/83/30/25/1371833025.db2.gz SMHHDFWEVHCBGO-QRVBRYPASA-N 2 0 336.520 3.020 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C[C@H](O)c2ccccc2OC)C(C)C)CC1 ZINC001208601246 1371835907 /nfs/dbraw/zinc/83/59/07/1371835907.db2.gz LLDJXCADQUMXJV-IBGZPJMESA-N 2 0 334.504 3.171 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(c3noc4ccc(F)cc43)CC2)C1 ZINC001208613223 1371839531 /nfs/dbraw/zinc/83/95/31/1371839531.db2.gz RWDMQXXYOVEDPU-CQSZACIVSA-N 2 0 331.435 3.488 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610013 1371840418 /nfs/dbraw/zinc/84/04/18/1371840418.db2.gz XYYBDTWCEQRMEE-OAQYLSRUSA-N 3 0 341.543 3.316 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842926 /nfs/dbraw/zinc/84/29/26/1371842926.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 2 0 341.543 3.172 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CC[C@@]3(CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208617458 1371844024 /nfs/dbraw/zinc/84/40/24/1371844024.db2.gz PGGBWIMSRVKSEQ-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619085 1371844982 /nfs/dbraw/zinc/84/49/82/1371844982.db2.gz VDIBZKDGPQZATG-YADHBBJMSA-N 2 0 341.543 3.316 20 0 EGADRP COC(=O)[C@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001208630442 1371846948 /nfs/dbraw/zinc/84/69/48/1371846948.db2.gz ZRGWQLGXRBYVJI-VJANTYMQSA-N 2 0 336.520 3.305 20 0 EGADRP C(C[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208638747 1371849839 /nfs/dbraw/zinc/84/98/39/1371849839.db2.gz HEALQLLUCLISTC-MOPGFXCFSA-N 2 0 336.520 3.403 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208646466 1371850568 /nfs/dbraw/zinc/85/05/68/1371850568.db2.gz LVKBDDBICUGXAQ-KZNAEPCWSA-N 2 0 339.568 3.083 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103095 1371854913 /nfs/dbraw/zinc/85/49/13/1371854913.db2.gz RPBZMMCZHNRGRI-HXLZZXBHSA-N 2 0 347.547 3.233 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121102298 1371855004 /nfs/dbraw/zinc/85/50/04/1371855004.db2.gz DJJVAPJKQCVKCF-MBEFBZSESA-N 2 0 349.563 3.457 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103360 1371855215 /nfs/dbraw/zinc/85/52/15/1371855215.db2.gz WHLFYUDYVNDUGS-WZXTXQKWSA-N 2 0 335.536 3.066 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001208728280 1371876980 /nfs/dbraw/zinc/87/69/80/1371876980.db2.gz PPWFPZRVXHFFOI-ARJAWSKDSA-N 2 0 343.515 3.352 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759187 1371885619 /nfs/dbraw/zinc/88/56/19/1371885619.db2.gz RONAJHQWPRYCCU-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](CC3(c4ccccc4)CCCC3)CC2)CC1 ZINC001208775899 1371892353 /nfs/dbraw/zinc/89/23/53/1371892353.db2.gz LXDDONDAGOSYSJ-UHFFFAOYSA-N 2 0 341.543 3.210 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121247017 1371906929 /nfs/dbraw/zinc/90/69/29/1371906929.db2.gz VEKFMGFZCHTRBG-OTVXFPNKSA-N 2 0 347.547 3.090 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001326370828 1388169139 /nfs/dbraw/zinc/16/91/39/1388169139.db2.gz JERQALZZEXDEOM-QRQLOZEOSA-N 2 0 335.536 3.007 20 0 EGADRP COC(=O)[C@@H]1C[C@@H](C)C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939797 1371954327 /nfs/dbraw/zinc/95/43/27/1371954327.db2.gz JFEOHIWDQJHCGA-MISYRCLQSA-N 2 0 344.499 3.030 20 0 EGADRP FC1CC[NH+](C2CN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208938585 1371954891 /nfs/dbraw/zinc/95/48/91/1371954891.db2.gz CBBRTZICGJBLPW-IBGZPJMESA-N 2 0 345.506 3.017 20 0 EGADRP CCOC(=O)C1(C)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208950859 1371960897 /nfs/dbraw/zinc/96/08/97/1371960897.db2.gz WZEQWHWFDPVOLD-IBGZPJMESA-N 2 0 344.499 3.174 20 0 EGADRP COC(=O)CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208948676 1371961406 /nfs/dbraw/zinc/96/14/06/1371961406.db2.gz HQZXTTINDHMQBQ-LJQANCHMSA-N 2 0 344.499 3.316 20 0 EGADRP CCCCOC(=O)[C@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208962969 1371964231 /nfs/dbraw/zinc/96/42/31/1371964231.db2.gz NBMLNSJYBBZATL-PMACEKPBSA-N 2 0 344.499 3.174 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001121508825 1371995235 /nfs/dbraw/zinc/99/52/35/1371995235.db2.gz WZYPPSPZTPTESO-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209133576 1372009594 /nfs/dbraw/zinc/00/95/94/1372009594.db2.gz HNJOBJZUEXWIOA-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC001121663170 1372038730 /nfs/dbraw/zinc/03/87/30/1372038730.db2.gz JYLJGNDDJJGSQC-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2)[NH+](CC)CC ZINC001121761432 1372072702 /nfs/dbraw/zinc/07/27/02/1372072702.db2.gz LSCPCTDHVKYLEA-PRYZXDJCSA-N 2 0 349.563 3.170 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767998 1372074342 /nfs/dbraw/zinc/07/43/42/1372074342.db2.gz URFLVUDVRJXORF-FUSSNKQKSA-N 2 0 335.536 3.068 20 0 EGADRP CCOC(=O)CCCCCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001209354328 1372076257 /nfs/dbraw/zinc/07/62/57/1372076257.db2.gz JTVYTMJCNUIVKL-UHFFFAOYSA-N 2 0 333.476 3.026 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121773354 1372077085 /nfs/dbraw/zinc/07/70/85/1372077085.db2.gz PYONBLQULTWVPI-HRTVXQQGSA-N 2 0 349.563 3.027 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)CC(C)C)C2)[NH+](C)C ZINC001121799005 1372085309 /nfs/dbraw/zinc/08/53/09/1372085309.db2.gz WNQVUEWWTPDONS-VCMYPUNYSA-N 2 0 337.552 3.026 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121853174 1372102505 /nfs/dbraw/zinc/10/25/05/1372102505.db2.gz APZXJLHVYFLPCE-IAAUGFHKSA-N 2 0 349.563 3.314 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC001209452150 1372109811 /nfs/dbraw/zinc/10/98/11/1372109811.db2.gz FNGXEFNPDIHXQV-YADHBBJMSA-N 2 0 341.543 3.316 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CC(C)(C)C[NH3+])CCCC1)c1ccccc1 ZINC001122004221 1372151209 /nfs/dbraw/zinc/15/12/09/1372151209.db2.gz KEPJTRZUBPIXCO-INIZCTEOSA-N 2 0 331.504 3.141 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242766 1372210197 /nfs/dbraw/zinc/21/01/97/1372210197.db2.gz NZRMEROHESAMJY-YDXWLCMNSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001122248851 1372211863 /nfs/dbraw/zinc/21/18/63/1372211863.db2.gz LZMTZABWSWZSJS-MBEFBZSESA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001122249269 1372211920 /nfs/dbraw/zinc/21/19/20/1372211920.db2.gz RKCUERSWJCRTIG-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC001122344188 1372232822 /nfs/dbraw/zinc/23/28/22/1372232822.db2.gz CYQDYTFEJYJIJS-UHFFFAOYSA-N 2 0 333.476 3.007 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952349 1372240533 /nfs/dbraw/zinc/24/05/33/1372240533.db2.gz PRJNBVMBGNICHZ-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP c1cncc(OCC2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)c1 ZINC001210028208 1372259479 /nfs/dbraw/zinc/25/94/79/1372259479.db2.gz KHPXOEYWPIOUJD-UHFFFAOYSA-N 2 0 331.504 3.485 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)C(C)C ZINC001210189682 1372291496 /nfs/dbraw/zinc/29/14/96/1372291496.db2.gz LTUWPSKUUZLQFX-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210218269 1372296033 /nfs/dbraw/zinc/29/60/33/1372296033.db2.gz QATNWPMGMCUXNY-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC001210226584 1372298804 /nfs/dbraw/zinc/29/88/04/1372298804.db2.gz HYPHIYGDJDIBNO-FQEVSTJZSA-N 2 0 327.447 3.034 20 0 EGADRP Clc1cc2cccnc2c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210268056 1372311111 /nfs/dbraw/zinc/31/11/11/1372311111.db2.gz TZURUENICQTSIZ-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP c1cncc(Oc2cccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)c2)c1 ZINC001210268272 1372311354 /nfs/dbraw/zinc/31/13/54/1372311354.db2.gz XEUBZDVEHRDIGY-UHFFFAOYSA-N 2 0 347.422 3.422 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001210497260 1372366639 /nfs/dbraw/zinc/36/66/39/1372366639.db2.gz CAGZSRGPIJPKIO-WSTZPKSXSA-N 2 0 345.531 3.224 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001210497622 1372367496 /nfs/dbraw/zinc/36/74/96/1372367496.db2.gz FCCGFHZBWVBQOR-IEBWSBKVSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CC)c2ccc(F)cc2)C[C@H]1C ZINC001210529118 1372372721 /nfs/dbraw/zinc/37/27/21/1372372721.db2.gz QOMTZANNYINUIZ-ATZDWAIDSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210615029 1372391805 /nfs/dbraw/zinc/39/18/05/1372391805.db2.gz KJDFZJYWGZKWDX-FPOVZHCZSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001210633596 1372396533 /nfs/dbraw/zinc/39/65/33/1372396533.db2.gz GFTACIHYRPLEDC-MSOLQXFVSA-N 2 0 343.531 3.217 20 0 EGADRP CCc1cc(OC)ccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001210712845 1372412566 /nfs/dbraw/zinc/41/25/66/1372412566.db2.gz HSDROBQFUGAKJN-UHFFFAOYSA-N 2 0 326.444 3.148 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210744784 1372417953 /nfs/dbraw/zinc/41/79/53/1372417953.db2.gz VTSMCTCBRGWMCP-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001210750807 1372419326 /nfs/dbraw/zinc/41/93/26/1372419326.db2.gz LRGXVKRLDANXPW-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001210773745 1372424240 /nfs/dbraw/zinc/42/42/40/1372424240.db2.gz NZFBDKKMSLKTRQ-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001210796453 1372428211 /nfs/dbraw/zinc/42/82/11/1372428211.db2.gz HHASLRVXEQYAPW-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CSc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1F ZINC001211110786 1372486958 /nfs/dbraw/zinc/48/69/58/1372486958.db2.gz RERFHYVDEJQUES-UHFFFAOYSA-N 2 0 332.448 3.438 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126154 1372488105 /nfs/dbraw/zinc/48/81/05/1372488105.db2.gz OFUYDNZPSKSMFG-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001211138578 1372489402 /nfs/dbraw/zinc/48/94/02/1372489402.db2.gz LALCOMPYCUTDSD-UHFFFAOYSA-N 2 0 325.456 3.024 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211257912 1372514330 /nfs/dbraw/zinc/51/43/30/1372514330.db2.gz WWRHJAJMVJTILE-RBUKOAKNSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343644 1372536209 /nfs/dbraw/zinc/53/62/09/1372536209.db2.gz DORCDASZSZMZLW-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP Clc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)c(Cl)c1 ZINC001212320517 1372685906 /nfs/dbraw/zinc/68/59/06/1372685906.db2.gz MOLYYXFOVJKTES-UHFFFAOYSA-N 2 0 341.242 3.133 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001212336128 1372689626 /nfs/dbraw/zinc/68/96/26/1372689626.db2.gz VAIYPIJTXVQGQF-AWEZNQCLSA-N 2 0 346.328 3.197 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001212336289 1372690457 /nfs/dbraw/zinc/69/04/57/1372690457.db2.gz ZHAJJRXDGODEOG-AWEZNQCLSA-N 2 0 329.231 3.346 20 0 EGADRP CCOc1c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)nn1CC(C)C ZINC001326519490 1388227584 /nfs/dbraw/zinc/22/75/84/1388227584.db2.gz PTBYHDDCOFRSAU-UHFFFAOYSA-N 2 0 348.535 3.212 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3cncn3-c3cc[nH+]cc3)n2)cc1 ZINC001214349314 1373047619 /nfs/dbraw/zinc/04/76/19/1373047619.db2.gz RJHQUOMXCWQIGC-UHFFFAOYSA-N 2 0 346.394 3.046 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001127065895 1373079165 /nfs/dbraw/zinc/07/91/65/1373079165.db2.gz GUULPZYZWTYCIY-XLIONFOSSA-N 2 0 345.531 3.450 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611311 1373089497 /nfs/dbraw/zinc/08/94/97/1373089497.db2.gz ZGHNWMOOIOKVJP-WUYYXPQKSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214611305 1373089551 /nfs/dbraw/zinc/08/95/51/1373089551.db2.gz ZARGAGYZBFIUSO-KZNAEPCWSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001214666281 1373099018 /nfs/dbraw/zinc/09/90/18/1373099018.db2.gz ZNKHFFLWXRATAR-GSEOLPGOSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214855491 1373130143 /nfs/dbraw/zinc/13/01/43/1373130143.db2.gz DDJRSZLFSWHORU-BHIYHBOVSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214855492 1373130451 /nfs/dbraw/zinc/13/04/51/1373130451.db2.gz DDJRSZLFSWHORU-QRQLOZEOSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856026 1373130978 /nfs/dbraw/zinc/13/09/78/1373130978.db2.gz VEZYIIDKJXZNNP-IOIJZZRGSA-N 2 0 335.536 3.042 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153375 1373180058 /nfs/dbraw/zinc/18/00/58/1373180058.db2.gz PONJFJZHBWJXIM-FOSBAXRVSA-N 2 0 340.471 3.131 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298771 1373195868 /nfs/dbraw/zinc/19/58/68/1373195868.db2.gz HABQJIFXVUMUDW-HNGSOEQISA-N 2 0 335.536 3.044 20 0 EGADRP CSc1ncc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1Cl ZINC001216027460 1373253374 /nfs/dbraw/zinc/25/33/74/1373253374.db2.gz BFLOQXPGCJJGQG-UHFFFAOYSA-N 2 0 349.891 3.347 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C)c1ccc(F)cc1 ZINC001216226322 1373285694 /nfs/dbraw/zinc/28/56/94/1373285694.db2.gz SDXNPVQTMWBBJM-AYOQOUSVSA-N 2 0 349.494 3.055 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001216323543 1373300103 /nfs/dbraw/zinc/30/01/03/1373300103.db2.gz GLEFUABPZIBEDX-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001216834863 1373349322 /nfs/dbraw/zinc/34/93/22/1373349322.db2.gz ZYRLCNLBPPDUOT-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001216852183 1373351665 /nfs/dbraw/zinc/35/16/65/1373351665.db2.gz RGYVCWCELOZLEB-WSTZPKSXSA-N 2 0 345.531 3.141 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980421 1373374439 /nfs/dbraw/zinc/37/44/39/1373374439.db2.gz JYDRAPUOCHXALZ-BGEOSOQGSA-N 2 0 349.563 3.435 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1C ZINC001129947444 1373438979 /nfs/dbraw/zinc/43/89/79/1373438979.db2.gz ZURPWIWTZRALJS-FQEVSTJZSA-N 2 0 347.547 3.021 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1)[NH+](C)C ZINC001129950302 1373439812 /nfs/dbraw/zinc/43/98/12/1373439812.db2.gz RCOJVWLOBYYBJT-FQEVSTJZSA-N 2 0 345.531 3.136 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@@](C)(CO[C@@H]2CCC[NH2+]CC2)O1 ZINC001217778429 1373499972 /nfs/dbraw/zinc/49/99/72/1373499972.db2.gz OOOGHNSERRNSIG-CTNGQTDRSA-N 2 0 346.515 3.215 20 0 EGADRP c1cc(OCC[NH+]2CCCCCC2)ccc1CO[C@H]1CCC[NH2+]C1 ZINC001217857713 1373507551 /nfs/dbraw/zinc/50/75/51/1373507551.db2.gz UKUUWSMAZLWNBN-FQEVSTJZSA-N 2 0 332.488 3.210 20 0 EGADRP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COCC2(C)CC[NH2+]CC2)O1 ZINC001217907495 1373511298 /nfs/dbraw/zinc/51/12/98/1373511298.db2.gz GOUBVLMFYLCCOD-LJQANCHMSA-N 2 0 346.515 3.072 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001130425195 1373532682 /nfs/dbraw/zinc/53/26/82/1373532682.db2.gz MXXYWWQPYKBEOM-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H](c1cccc(O[C@H]2C[NH2+][C@@H]3CCCO[C@@H]32)c1)[C@@H](C)C[NH+](C)C ZINC001218167176 1373571954 /nfs/dbraw/zinc/57/19/54/1373571954.db2.gz QSCVLUZHSXUHTJ-IWUPYOBGSA-N 2 0 346.515 3.276 20 0 EGADRP CC[C@@H](c1cccc(OCCO[C@@H]2CC[NH2+]C2)c1)[C@@H](C)C[NH+](C)C ZINC001218387830 1373604332 /nfs/dbraw/zinc/60/43/32/1373604332.db2.gz NWFNJUMBKYNQPI-PWIZWCRZSA-N 2 0 334.504 3.135 20 0 EGADRP Fc1ccccc1C[N@@H+]1CCC[C@@H](Oc2ccc3c(c2)C[NH2+]C3)C1 ZINC001218390645 1373604845 /nfs/dbraw/zinc/60/48/45/1373604845.db2.gz LVSFAQMYFULAIN-LJQANCHMSA-N 2 0 326.415 3.472 20 0 EGADRP c1cnc2c(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)ccc(C[NH+]3CCCCC3)c2c1 ZINC001218487819 1373624755 /nfs/dbraw/zinc/62/47/55/1373624755.db2.gz ANCSDSLRTNFLAA-QKYXUNIQSA-N 2 0 337.467 3.350 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)[C@@H]([NH3+])C3CCCCC3)cc2)CC1 ZINC001218823286 1373657982 /nfs/dbraw/zinc/65/79/82/1373657982.db2.gz HXHRCIKYNSUUQJ-IBGZPJMESA-N 2 0 329.488 3.342 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)CCC[NH2+]C1 ZINC001218821291 1373658074 /nfs/dbraw/zinc/65/80/74/1373658074.db2.gz CWTCCHRRXPGURN-FQEVSTJZSA-N 2 0 329.488 3.214 20 0 EGADRP [NH3+][C@@H](CC(=O)Nc1cccc2c1C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC001218993929 1373676101 /nfs/dbraw/zinc/67/61/01/1373676101.db2.gz YOOFKUINXSHIIY-HNNXBMFYSA-N 2 0 349.356 3.337 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]([NH3+])Cc1cccc2ccccc21 ZINC001221374044 1373771013 /nfs/dbraw/zinc/77/10/13/1373771013.db2.gz UGPXMVKXVNUAGN-IBGZPJMESA-N 2 0 341.499 3.124 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848211 1373797484 /nfs/dbraw/zinc/79/74/84/1373797484.db2.gz DWEFTAYNPVNCAV-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848289 1373797899 /nfs/dbraw/zinc/79/78/99/1373797899.db2.gz IMDSOTGWUCDQHE-KNPSKYOESA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001131828294 1373826562 /nfs/dbraw/zinc/82/65/62/1373826562.db2.gz JZUBAFSTFOGGME-GOSISDBHSA-N 2 0 331.504 3.108 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131836888 1373830033 /nfs/dbraw/zinc/83/00/33/1373830033.db2.gz FLJRCACFUPFOES-KRWDZBQOSA-N 2 0 331.504 3.026 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC[NH2+][C@H]2CCCc3ccccc32)CCCC1 ZINC001131844630 1373834291 /nfs/dbraw/zinc/83/42/91/1373834291.db2.gz KYPRYTKWKAPSDF-IBGZPJMESA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC1 ZINC001222514688 1373851051 /nfs/dbraw/zinc/85/10/51/1373851051.db2.gz BXDUXZLEGDEDOF-LJQANCHMSA-N 2 0 345.531 3.013 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001326736241 1388294796 /nfs/dbraw/zinc/29/47/96/1388294796.db2.gz KRQPUDFWSFOAGU-IEBWSBKVSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@H+](CCCNC(=O)c1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC001326908460 1388345652 /nfs/dbraw/zinc/34/56/52/1388345652.db2.gz XFRYUFWMBZSIFD-UHFFFAOYSA-N 2 0 343.515 3.107 20 0 EGADRP CC(C)CCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929303 1375047767 /nfs/dbraw/zinc/04/77/67/1375047767.db2.gz SWPKSLGOZIIVOR-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001223954877 1375049050 /nfs/dbraw/zinc/04/90/50/1375049050.db2.gz FEZIGOCQTUOWNK-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224883453 1375082302 /nfs/dbraw/zinc/08/23/02/1375082302.db2.gz AOWIIFNNAWOZLG-HKUYNNGSSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CC2CCCCCC2)CC1 ZINC001225087855 1375092411 /nfs/dbraw/zinc/09/24/11/1375092411.db2.gz NTZIYLQQQBRRER-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225333407 1375105802 /nfs/dbraw/zinc/10/58/02/1375105802.db2.gz PKXZTXMRVJUNLR-VQIMIIECSA-N 2 0 325.456 3.358 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132129821 1375160428 /nfs/dbraw/zinc/16/04/28/1375160428.db2.gz YYFFLZSMRBQGFR-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CCCCCF ZINC001132173074 1375187439 /nfs/dbraw/zinc/18/74/39/1375187439.db2.gz HADOQNXYROONCF-RDJZCZTQSA-N 2 0 346.450 3.057 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132266679 1375255137 /nfs/dbraw/zinc/25/51/37/1375255137.db2.gz YODQZOGITAZYRV-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC/C=C/c1ccccc1 ZINC001132277368 1375261684 /nfs/dbraw/zinc/26/16/84/1375261684.db2.gz GEAYPWXZTBUWSG-CNLJBLCWSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315418 1375292633 /nfs/dbraw/zinc/29/26/33/1375292633.db2.gz SWDPJYFURFFWSK-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132376128 1375338667 /nfs/dbraw/zinc/33/86/67/1375338667.db2.gz JRRKHKIQOFJNHL-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226889994 1375353055 /nfs/dbraw/zinc/35/30/55/1375353055.db2.gz FARVVHAXZIUKGD-FNMLWVPJSA-N 2 0 335.536 3.234 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)oc1C ZINC001327069707 1388372577 /nfs/dbraw/zinc/37/25/77/1388372577.db2.gz ZRNMXPXMBJXSCD-QGZVFWFLSA-N 2 0 341.499 3.495 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132410055 1375357949 /nfs/dbraw/zinc/35/79/49/1375357949.db2.gz JHTUQWWNVUJALR-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132409852 1375358947 /nfs/dbraw/zinc/35/89/47/1375358947.db2.gz FVQKVDJSXUJCKE-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435499 1375379249 /nfs/dbraw/zinc/37/92/49/1375379249.db2.gz FAUKITVBZZVIKR-ZWKOTPCHSA-N 2 0 325.541 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCC1CCCC1 ZINC001132434641 1375379363 /nfs/dbraw/zinc/37/93/63/1375379363.db2.gz ZWYDFCOPHCUYCB-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132437158 1375382171 /nfs/dbraw/zinc/38/21/71/1375382171.db2.gz QWPAVOUAQDHMIR-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132442350 1375386382 /nfs/dbraw/zinc/38/63/82/1375386382.db2.gz ZXJGRENRQDKPML-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132442304 1375386960 /nfs/dbraw/zinc/38/69/60/1375386960.db2.gz ZBARESCDDJQTIK-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132492115 1375423757 /nfs/dbraw/zinc/42/37/57/1375423757.db2.gz CKVSQKYAMOPWPC-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132517422 1375435856 /nfs/dbraw/zinc/43/58/56/1375435856.db2.gz CCQYMRLRVDCLQI-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548995 1375455348 /nfs/dbraw/zinc/45/53/48/1375455348.db2.gz MAICCVFXFOCNHR-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001228053657 1375512495 /nfs/dbraw/zinc/51/24/95/1375512495.db2.gz JNKXGWUKBLLXMH-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP O=C(NCC[NH2+]CCCC1CCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795511 1375568927 /nfs/dbraw/zinc/56/89/27/1375568927.db2.gz TWHGCFMNKSCPBZ-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)=CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001228441060 1375572962 /nfs/dbraw/zinc/57/29/62/1375572962.db2.gz SVTYZGNOAPSEGI-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228602246 1375612564 /nfs/dbraw/zinc/61/25/64/1375612564.db2.gz FKLOSSFMCANSIT-MDZRGWNJSA-N 2 0 341.515 3.016 20 0 EGADRP C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001132892946 1375628904 /nfs/dbraw/zinc/62/89/04/1375628904.db2.gz KOAGJTXQJIGFNL-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001132956209 1375671651 /nfs/dbraw/zinc/67/16/51/1375671651.db2.gz AFRSDTJKCBRFOZ-IBGZPJMESA-N 2 0 329.488 3.484 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973986 1375687814 /nfs/dbraw/zinc/68/78/14/1375687814.db2.gz URNYBKIMKHVFCE-AEFFLSMTSA-N 2 0 342.487 3.068 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CCC[N@H+](C)C4)cc32)CC1 ZINC001228823595 1375687958 /nfs/dbraw/zinc/68/79/58/1375687958.db2.gz NBXGGXDHJQLOQI-KRWDZBQOSA-N 2 0 327.472 3.450 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973678 1375688411 /nfs/dbraw/zinc/68/84/11/1375688411.db2.gz PFTBEGFKYYVSEU-AEFFLSMTSA-N 2 0 342.487 3.212 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001228932563 1375720424 /nfs/dbraw/zinc/72/04/24/1375720424.db2.gz PWMACNJFMKNSJS-IPMKNSEASA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CCCC(C)C)CC1)[NH+](CC)CC ZINC001229171679 1375780793 /nfs/dbraw/zinc/78/07/93/1375780793.db2.gz QKKCRDCOFUTJTI-GOSISDBHSA-N 2 0 325.541 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)CC1 ZINC001229288257 1375802554 /nfs/dbraw/zinc/80/25/54/1375802554.db2.gz YYTIIUJXOKLPLC-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165577 1375819680 /nfs/dbraw/zinc/81/96/80/1375819680.db2.gz JOONXZLXDRUGNK-XLIONFOSSA-N 2 0 345.531 3.092 20 0 EGADRP Cc1nccn1CCCC(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001229616879 1375865559 /nfs/dbraw/zinc/86/55/59/1375865559.db2.gz VJKGSVADYFAHDP-QGZVFWFLSA-N 2 0 348.535 3.235 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C)C1 ZINC001229692169 1375877479 /nfs/dbraw/zinc/87/74/79/1375877479.db2.gz FMXKJQHGCQHHOK-RCCFBDPRSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133336725 1375930109 /nfs/dbraw/zinc/93/01/09/1375930109.db2.gz DNKSCYMSIDQFRP-INPAECQJSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133338047 1375931096 /nfs/dbraw/zinc/93/10/96/1375931096.db2.gz SDXBKVPURRUHND-XLIONFOSSA-N 2 0 345.531 3.236 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC001230016559 1375931357 /nfs/dbraw/zinc/93/13/57/1375931357.db2.gz PZANKUYFVKCPKJ-HXUWFJFHSA-N 2 0 343.515 3.226 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001230284873 1375983482 /nfs/dbraw/zinc/98/34/82/1375983482.db2.gz XOBPLCUXEISJDB-RTBURBONSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001230286148 1375985144 /nfs/dbraw/zinc/98/51/44/1375985144.db2.gz COIQLBOKMYUIDH-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[NH+]1CCCCC1 ZINC001230287160 1375986683 /nfs/dbraw/zinc/98/66/83/1375986683.db2.gz XXDBPAVKGOGQOC-AQNXPRMDSA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230585015 1376087263 /nfs/dbraw/zinc/08/72/63/1376087263.db2.gz VVHXZJBLWTYKNG-IKLBINMZSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611726 1376101950 /nfs/dbraw/zinc/10/19/50/1376101950.db2.gz YZDYPGYMELXHJA-MJGOQNOKSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+]CCC2CCCCC2)cc1 ZINC001133894250 1376254478 /nfs/dbraw/zinc/25/44/78/1376254478.db2.gz ZXNIXFVGCKALLH-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP Cc1ccc(O)c(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)n1 ZINC001231669583 1376300597 /nfs/dbraw/zinc/30/05/97/1376300597.db2.gz KDQSRBWRIXXQDK-UHFFFAOYSA-N 2 0 348.450 3.274 20 0 EGADRP c1cc2cc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ncc2[nH]1 ZINC001231668863 1376300899 /nfs/dbraw/zinc/30/08/99/1376300899.db2.gz MEXFZCGGQCFHAG-KDURUIRLSA-N 2 0 332.451 3.127 20 0 EGADRP O=C1N[C@H](c2ccccc2)C12CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232015616 1376383228 /nfs/dbraw/zinc/38/32/28/1376383228.db2.gz ZKYKMQSNNJEVLH-LJQANCHMSA-N 2 0 346.434 3.016 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015154 1376384804 /nfs/dbraw/zinc/38/48/04/1376384804.db2.gz BYBLQPQHMYASAH-UKRRQHHQSA-N 2 0 344.459 3.441 20 0 EGADRP CCCC[NH+]1CCC(N(C)Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232138486 1376406208 /nfs/dbraw/zinc/40/62/08/1376406208.db2.gz UIUFIBLDZPTQPD-UHFFFAOYSA-N 2 0 328.460 3.433 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3c(Br)[nH]c4ccccc43)C2)CC1 ZINC001232144216 1376408377 /nfs/dbraw/zinc/40/83/77/1376408377.db2.gz LVXOFOGAJJRGCP-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(N)nc1)CC2 ZINC001232366665 1376451434 /nfs/dbraw/zinc/45/14/34/1376451434.db2.gz XHIGTCRXDKFKSX-GOSISDBHSA-N 2 0 340.471 3.133 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2C)cc1 ZINC001134556259 1376592173 /nfs/dbraw/zinc/59/21/73/1376592173.db2.gz QZMJIJXWKWUSTF-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584723 1376608499 /nfs/dbraw/zinc/60/84/99/1376608499.db2.gz WKQMMMAZUGRPIT-SJORKVTESA-N 2 0 345.531 3.106 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001134608034 1376622421 /nfs/dbraw/zinc/62/24/21/1376622421.db2.gz PRTYWHUNLDZRKD-SJORKVTESA-N 2 0 345.531 3.106 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730031 1376682228 /nfs/dbraw/zinc/68/22/28/1376682228.db2.gz SCBGWFGSBVYMOS-QZTJIDSGSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H](C(=O)NCC[NH2+]CCC1CCCCCC1)[NH+]1CCCCCC1 ZINC001134757813 1376703398 /nfs/dbraw/zinc/70/33/98/1376703398.db2.gz RVYMOTPJBVROTR-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858487 1376757491 /nfs/dbraw/zinc/75/74/91/1376757491.db2.gz UVFMXJFKGYMIOD-ZWKOTPCHSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)[NH+](CC)CC ZINC001189111245 1388461404 /nfs/dbraw/zinc/46/14/04/1388461404.db2.gz XTOCBTCHEDJCKU-OKZBNKHCSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891137 1376770343 /nfs/dbraw/zinc/77/03/43/1376770343.db2.gz BOMMQMORXXTNAL-HZPDHXFCSA-N 2 0 330.476 3.257 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccsc1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134893299 1376771928 /nfs/dbraw/zinc/77/19/28/1376771928.db2.gz UOCOCOJQOBZPPK-ZIAGYGMSSA-N 2 0 342.468 3.083 20 0 EGADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](C[C@@H]1CC=CCC1)CC2 ZINC001235020009 1376827201 /nfs/dbraw/zinc/82/72/01/1376827201.db2.gz CGRGSQAIUOOWOF-QGZVFWFLSA-N 2 0 326.484 3.488 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993479 1376832062 /nfs/dbraw/zinc/83/20/62/1376832062.db2.gz JJDVCOWDJUDHMW-LSDHHAIUSA-N 2 0 330.476 3.257 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994002 1376832072 /nfs/dbraw/zinc/83/20/72/1376832072.db2.gz NRGLBPKJWIZALV-UONOGXRCSA-N 2 0 342.468 3.083 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH2+]CC1CC(C)(C)C1 ZINC001134992717 1376832489 /nfs/dbraw/zinc/83/24/89/1376832489.db2.gz AGJVDLKXTOUYQZ-CABCVRRESA-N 2 0 342.487 3.257 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994859 1376833332 /nfs/dbraw/zinc/83/33/32/1376833332.db2.gz XEUDKKHQGSKRJA-ILNYKDOHSA-N 2 0 328.460 3.177 20 0 EGADRP Oc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c2cccnc12 ZINC001235242642 1376862409 /nfs/dbraw/zinc/86/24/09/1376862409.db2.gz SWSFXAOEMLXFPC-SFHVURJKSA-N 2 0 325.456 3.295 20 0 EGADRP COc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1C(F)(F)F ZINC001235338048 1376868949 /nfs/dbraw/zinc/86/89/49/1376868949.db2.gz ABQGWCNWBBIMLH-UHFFFAOYSA-N 2 0 328.378 3.145 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C4C[NH2+]C4)C3)s2)cc1 ZINC001235338732 1376869266 /nfs/dbraw/zinc/86/92/66/1376869266.db2.gz CEANDNGQVPNQMA-OAHLLOKOSA-N 2 0 328.481 3.465 20 0 EGADRP Fc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428559 1376870931 /nfs/dbraw/zinc/87/09/31/1376870931.db2.gz QQHCDAKDWFDFCN-NEPJUHHUSA-N 2 0 330.369 3.455 20 0 EGADRP COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431118 1376872448 /nfs/dbraw/zinc/87/24/48/1376872448.db2.gz UYMCIABGDCCWKK-SJORKVTESA-N 2 0 332.488 3.224 20 0 EGADRP Clc1cccc(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)c1 ZINC001235474624 1376874010 /nfs/dbraw/zinc/87/40/10/1376874010.db2.gz WLLUEPAEEFRVIM-UHFFFAOYSA-N 2 0 347.915 3.369 20 0 EGADRP COc1ccc([C@@H]2CSCC[N@@H+]2Cc2cccc(C[NH3+])c2)cc1 ZINC001235727549 1376886288 /nfs/dbraw/zinc/88/62/88/1376886288.db2.gz SXXGYBHCHZDQGL-IBGZPJMESA-N 2 0 328.481 3.444 20 0 EGADRP Brc1ccccc1CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235882959 1376910024 /nfs/dbraw/zinc/91/00/24/1376910024.db2.gz VMIQUBQTUDMNCQ-QGZVFWFLSA-N 2 0 337.305 3.456 20 0 EGADRP [NH3+][C@H](CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC001235885806 1376911429 /nfs/dbraw/zinc/91/14/29/1376911429.db2.gz YVHHUCYJVINPSK-HXUWFJFHSA-N 2 0 327.447 3.033 20 0 EGADRP [NH3+]CCN(Cc1ccc(C[NH3+])cc1)Cc1ccc(Cl)cc1Cl ZINC001235885297 1376911593 /nfs/dbraw/zinc/91/15/93/1376911593.db2.gz DFKAZQCJDDEIKZ-UHFFFAOYSA-N 2 0 338.282 3.413 20 0 EGADRP CN(C[C@@H]1CC[NH2+]C1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001235922899 1376919086 /nfs/dbraw/zinc/91/90/86/1376919086.db2.gz IMGBSHOXFMLSDB-GOSISDBHSA-N 2 0 335.495 3.002 20 0 EGADRP c1ccc(CN(C[C@H]2CC[NH2+]2)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235947345 1376921419 /nfs/dbraw/zinc/92/14/19/1376921419.db2.gz AGTDUCWCLFAOFL-YADHBBJMSA-N 2 0 335.495 3.125 20 0 EGADRP COC(=O)c1cccc(C2CC[NH+](Cc3ccc(C[NH3+])cc3)CC2)c1 ZINC001236074318 1376931484 /nfs/dbraw/zinc/93/14/84/1376931484.db2.gz XPWSPJUCEFYHII-UHFFFAOYSA-N 2 0 338.451 3.312 20 0 EGADRP CCC[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001236181408 1376940522 /nfs/dbraw/zinc/94/05/22/1376940522.db2.gz ZEWZHUIPSVKZBV-UHFFFAOYSA-N 3 0 329.532 3.363 20 0 EGADRP [NH3+]C1CCC([N@H+](Cc2ccccc2)Cc2cccc3nonc32)CC1 ZINC001236227367 1376942521 /nfs/dbraw/zinc/94/25/21/1376942521.db2.gz DFABGSJQTNHXPJ-UHFFFAOYSA-N 2 0 336.439 3.495 20 0 EGADRP CC[NH+]1CCC(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236387862 1376951681 /nfs/dbraw/zinc/95/16/81/1376951681.db2.gz HERMTOMYOJQQQE-HXUWFJFHSA-N 2 0 333.495 3.112 20 0 EGADRP C[NH+]1CCC(CCN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236388928 1376952189 /nfs/dbraw/zinc/95/21/89/1376952189.db2.gz RBPVUJUJIJAZHY-FQEVSTJZSA-N 2 0 333.495 3.112 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297741 1377026589 /nfs/dbraw/zinc/02/65/89/1377026589.db2.gz GVYQDLUNBYBTHN-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135307700 1377029472 /nfs/dbraw/zinc/02/94/72/1377029472.db2.gz HWYNWNZPKZBUOO-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)CCC[NH+](C)C ZINC001135314443 1377033263 /nfs/dbraw/zinc/03/32/63/1377033263.db2.gz BFXKZOCQIDIVOJ-DLBZAZTESA-N 2 0 345.531 3.279 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC/C=C/c1ccccc1 ZINC001135315149 1377034019 /nfs/dbraw/zinc/03/40/19/1377034019.db2.gz MQZSXYWVJAGOPV-PIKSBDKVSA-N 2 0 345.531 3.305 20 0 EGADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246158231 1377050216 /nfs/dbraw/zinc/05/02/16/1377050216.db2.gz UGGONCMKTCUBIQ-NJYVYQBISA-N 2 0 330.516 3.392 20 0 EGADRP CCSC[C@H](C)[NH2+]CC1(Cc2cccc(OC)c2)CC[NH2+]CC1 ZINC001246382555 1377051732 /nfs/dbraw/zinc/05/17/32/1377051732.db2.gz BWZDCJQATZHJFV-INIZCTEOSA-N 2 0 336.545 3.339 20 0 EGADRP CC1(C)C[C@@H](NC2(Cc3ccccc3Cl)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381951 1377051745 /nfs/dbraw/zinc/05/17/45/1377051745.db2.gz VJGXDBRIGBKQMH-INIZCTEOSA-N 2 0 335.923 3.125 20 0 EGADRP C[NH+](C)C1CCC(N(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246938699 1377055698 /nfs/dbraw/zinc/05/56/98/1377055698.db2.gz SKXNUYGTXNZYRP-MHJFOBGBSA-N 3 0 333.495 3.253 20 0 EGADRP Fc1cccc(CN([C@H]2CCC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)c1 ZINC001246937503 1377056347 /nfs/dbraw/zinc/05/63/47/1377056347.db2.gz PJPHGQFWFHNAJL-PMACEKPBSA-N 2 0 345.506 3.302 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135377713 1377063403 /nfs/dbraw/zinc/06/34/03/1377063403.db2.gz CYLZCRDLNDJQHL-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH2+][C@@H](CC1CCCCC1)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249205703 1377073294 /nfs/dbraw/zinc/07/32/94/1377073294.db2.gz VQRJVFCGDYSOEQ-KRWDZBQOSA-N 2 0 341.459 3.008 20 0 EGADRP Cc1c(F)cccc1CN1CCC([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254508502 1377105479 /nfs/dbraw/zinc/10/54/79/1377105479.db2.gz JTYREOHZUVCMJE-SFHVURJKSA-N 2 0 333.495 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001254510490 1377105560 /nfs/dbraw/zinc/10/55/60/1377105560.db2.gz XAVXOGBGXVALAO-SFHVURJKSA-N 2 0 335.923 3.378 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468069 1377107684 /nfs/dbraw/zinc/10/76/84/1377107684.db2.gz LXRJCEYBYRFCDF-IAGOWNOFSA-N 2 0 335.536 3.092 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC1CCCCCC1)C(C)C ZINC001135477320 1377111446 /nfs/dbraw/zinc/11/14/46/1377111446.db2.gz BVRZSVRLUWPLHP-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481102 1377113190 /nfs/dbraw/zinc/11/31/90/1377113190.db2.gz QDAKCNUOXNIYDV-CVEARBPZSA-N 2 0 327.557 3.273 20 0 EGADRP CC(C)CC(CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001258834685 1377119530 /nfs/dbraw/zinc/11/95/30/1377119530.db2.gz GRDYCLCATIWKIE-HOJAQTOUSA-N 2 0 347.551 3.134 20 0 EGADRP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC1CCCCCC1 ZINC001265848146 1377169611 /nfs/dbraw/zinc/16/96/11/1377169611.db2.gz IMBNPNHLMFMGCE-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135705334 1377190096 /nfs/dbraw/zinc/19/00/96/1377190096.db2.gz AISOPHVNCNTEMA-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135705647 1377190153 /nfs/dbraw/zinc/19/01/53/1377190153.db2.gz GZPMEYQILTYKJH-DLBZAZTESA-N 2 0 345.531 3.279 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135743545 1377198874 /nfs/dbraw/zinc/19/88/74/1377198874.db2.gz MCFIUCGAERDCNK-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135743167 1377199087 /nfs/dbraw/zinc/19/90/87/1377199087.db2.gz GFICFYLOGSRMHN-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788384 1377210937 /nfs/dbraw/zinc/21/09/37/1377210937.db2.gz DPHFMEFZJCLWIS-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135789417 1377212064 /nfs/dbraw/zinc/21/20/64/1377212064.db2.gz UPEPTGGBTYFCAI-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001266190319 1377221139 /nfs/dbraw/zinc/22/11/39/1377221139.db2.gz SNHYVUVRSJQIQJ-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266232925 1377239099 /nfs/dbraw/zinc/23/90/99/1377239099.db2.gz DEDUHUJMXKLWGR-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCF ZINC001135908523 1377258578 /nfs/dbraw/zinc/25/85/78/1377258578.db2.gz ZYCHTSUQXXRQSN-SJORKVTESA-N 2 0 331.520 3.121 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961524 1377277328 /nfs/dbraw/zinc/27/73/28/1377277328.db2.gz RWMHAEGVMCKAIN-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135965248 1377278063 /nfs/dbraw/zinc/27/80/63/1377278063.db2.gz BGKXQDNFILBHGN-MSOLQXFVSA-N 2 0 333.520 3.100 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961943 1377278263 /nfs/dbraw/zinc/27/82/63/1377278263.db2.gz ZEKDSFKQWVZYQM-MSOLQXFVSA-N 2 0 333.520 3.100 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135979554 1377284852 /nfs/dbraw/zinc/28/48/52/1377284852.db2.gz HIFWQZLCZSEKJD-OALUTQOASA-N 2 0 347.547 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1CC ZINC001135978975 1377285017 /nfs/dbraw/zinc/28/50/17/1377285017.db2.gz AGOOXONWJLRLKR-MSOLQXFVSA-N 2 0 347.547 3.006 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001135995163 1377291692 /nfs/dbraw/zinc/29/16/92/1377291692.db2.gz AEPRCFIMTMIZGW-IAGOWNOFSA-N 2 0 327.557 3.418 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001135995584 1377292184 /nfs/dbraw/zinc/29/21/84/1377292184.db2.gz IDBXBALQVLERBM-ROUUACIJSA-N 2 0 333.520 3.100 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327308809 1388493707 /nfs/dbraw/zinc/49/37/07/1388493707.db2.gz QRGOERCGVVEHAY-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001267603978 1377463804 /nfs/dbraw/zinc/46/38/04/1377463804.db2.gz BWMXCUQDMRKSRH-PKOBYXMFSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1csc(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001137155721 1377487405 /nfs/dbraw/zinc/48/74/05/1377487405.db2.gz GKXRYDUGPXLQJE-PKOBYXMFSA-N 2 0 334.529 3.379 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001137176554 1377491137 /nfs/dbraw/zinc/49/11/37/1377491137.db2.gz XKYWZUMTOCQYTG-VCAKUFKGSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(Cl)ccc(F)c1Cl ZINC001137358366 1377532087 /nfs/dbraw/zinc/53/20/87/1377532087.db2.gz KQVKHPMVYPUFTI-UHFFFAOYSA-N 2 0 336.282 3.058 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccnc1Cl ZINC001137427603 1377547112 /nfs/dbraw/zinc/54/71/12/1377547112.db2.gz PTFUAUXDWPLIEJ-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP COCC[N@H+](Cc1ccc(O)c2ccccc12)C1CCN(C)CC1 ZINC001138060229 1377672183 /nfs/dbraw/zinc/67/21/83/1377672183.db2.gz VAOSJJSUDZEDGQ-UHFFFAOYSA-N 2 0 328.456 3.088 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001138450261 1377726063 /nfs/dbraw/zinc/72/60/63/1377726063.db2.gz SOGWZWYQZPBGTR-UHFFFAOYSA-N 2 0 347.466 3.411 20 0 EGADRP Cc1nccn1-c1ccc(C[NH+]2CCC(c3ncccn3)CC2)cc1 ZINC001138547426 1377740108 /nfs/dbraw/zinc/74/01/08/1377740108.db2.gz MYNBNVDMJVLJIH-UHFFFAOYSA-N 2 0 333.439 3.350 20 0 EGADRP Cc1nccn1-c1ccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)cc1 ZINC001138547137 1377740155 /nfs/dbraw/zinc/74/01/55/1377740155.db2.gz FUBZQCMQGPXUFY-UHFFFAOYSA-N 2 0 347.466 3.206 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC001138601300 1377750367 /nfs/dbraw/zinc/75/03/67/1377750367.db2.gz AUXVGILTNBLCJL-UHFFFAOYSA-N 2 0 338.499 3.426 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139081170 1377826595 /nfs/dbraw/zinc/82/65/95/1377826595.db2.gz XTHYTWPDBCAWOY-UHFFFAOYSA-N 2 0 326.444 3.043 20 0 EGADRP CCn1ccc2ccc(C[NH+]3CCN(CC[NH+](CC)CC)CC3)cc21 ZINC001139119218 1377832630 /nfs/dbraw/zinc/83/26/30/1377832630.db2.gz HGBKJPBWENGPDV-UHFFFAOYSA-N 2 0 342.531 3.121 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)cn1 ZINC001327433955 1388518566 /nfs/dbraw/zinc/51/85/66/1388518566.db2.gz NJMVJKISRBSLRZ-HXUWFJFHSA-N 2 0 338.499 3.251 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(-n2cncn2)cc1 ZINC001139334342 1377869519 /nfs/dbraw/zinc/86/95/19/1377869519.db2.gz RCKSIEIAOVDZHJ-VQTJNVASSA-N 2 0 339.487 3.106 20 0 EGADRP c1ccc(CN2C[C@@H]3C[N@@H+](Cc4cncc5ccccc54)C[C@@H]3C2)nc1 ZINC001139895535 1377974078 /nfs/dbraw/zinc/97/40/78/1377974078.db2.gz HIVXEQUOZIGWSZ-BGYRXZFFSA-N 2 0 344.462 3.194 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC001140165246 1378024514 /nfs/dbraw/zinc/02/45/14/1378024514.db2.gz PAIVWQMYJGRXCP-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC001140636903 1378102983 /nfs/dbraw/zinc/10/29/83/1378102983.db2.gz UIZNPNYEYOQJHH-UHFFFAOYSA-N 2 0 331.529 3.361 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278450659 1378272030 /nfs/dbraw/zinc/27/20/30/1378272030.db2.gz RTKWSPIEPQVTLT-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001142588023 1378462000 /nfs/dbraw/zinc/46/20/00/1378462000.db2.gz LNQXFEZFFWQXIM-HXUWFJFHSA-N 2 0 343.515 3.309 20 0 EGADRP C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1nccnc1-c1ccc(Cl)cc1)C2 ZINC001142978639 1378521110 /nfs/dbraw/zinc/52/11/10/1378521110.db2.gz WNFJQSPICFSHLO-DNVCBOLYSA-N 2 0 342.874 3.181 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3cc(F)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143258065 1378570586 /nfs/dbraw/zinc/57/05/86/1378570586.db2.gz RMQSOAIFPCJXFE-OLZOCXBDSA-N 2 0 332.341 3.108 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC(F)(F)F ZINC001143873562 1378656036 /nfs/dbraw/zinc/65/60/36/1378656036.db2.gz UZPNKRDABIZVQD-UHFFFAOYSA-N 2 0 346.393 3.367 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CCCCC1(C)C ZINC001144185075 1378694956 /nfs/dbraw/zinc/69/49/56/1378694956.db2.gz IPJGWYSPNJVDKT-GOSISDBHSA-N 2 0 339.568 3.325 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535781 1378862540 /nfs/dbraw/zinc/86/25/40/1378862540.db2.gz OMDWSJROEWCYRJ-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001146536888 1378862724 /nfs/dbraw/zinc/86/27/24/1378862724.db2.gz WGOYCRUPNRQPOP-IAGOWNOFSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146585482 1378872379 /nfs/dbraw/zinc/87/23/79/1378872379.db2.gz YJFNHDRGJUGTIN-IRXDYDNUSA-N 2 0 331.504 3.201 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001146593884 1378872947 /nfs/dbraw/zinc/87/29/47/1378872947.db2.gz QYCGKIHMSTZRQS-STQMWFEESA-N 2 0 345.940 3.115 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001146591924 1378873120 /nfs/dbraw/zinc/87/31/20/1378873120.db2.gz IJABXWKGKUPWCR-OLZOCXBDSA-N 2 0 345.940 3.115 20 0 EGADRP Cc1ccccc1CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146601653 1378875478 /nfs/dbraw/zinc/87/54/78/1378875478.db2.gz NMCHLBRQCDFABE-RTBURBONSA-N 2 0 347.547 3.141 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001146710260 1378904852 /nfs/dbraw/zinc/90/48/52/1378904852.db2.gz IJXOYQPPXDJSCP-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001147359137 1379008295 /nfs/dbraw/zinc/00/82/95/1379008295.db2.gz LYBNJSDNJNBZGK-APWZRJJASA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001147359965 1379009240 /nfs/dbraw/zinc/00/92/40/1379009240.db2.gz XZWXARYMUAMTAX-QUCCMNQESA-N 2 0 345.531 3.416 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1ccccc1C ZINC001147450051 1379022931 /nfs/dbraw/zinc/02/29/31/1379022931.db2.gz WREAMCIXWGTORT-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001148577760 1379216471 /nfs/dbraw/zinc/21/64/71/1379216471.db2.gz BOKNPMYHAIODHJ-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H]1C ZINC001283925960 1379277500 /nfs/dbraw/zinc/27/75/00/1379277500.db2.gz FKFZTUYCVMELTP-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001148838897 1379279504 /nfs/dbraw/zinc/27/95/04/1379279504.db2.gz HFDODDIDSILRPI-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001284016980 1379365867 /nfs/dbraw/zinc/36/58/67/1379365867.db2.gz LIKCTENANKLYLD-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCCC1CCC1 ZINC001284128600 1379506456 /nfs/dbraw/zinc/50/64/56/1379506456.db2.gz NEVZDZQIAHSMKK-VQIMIIECSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001327940207 1388628111 /nfs/dbraw/zinc/62/81/11/1388628111.db2.gz LXYMUTVXULMCKG-XLIONFOSSA-N 2 0 345.531 3.088 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC001152446096 1379935324 /nfs/dbraw/zinc/93/53/24/1379935324.db2.gz UBNYBFBJROBMRY-LBPRGKRZSA-N 2 0 346.302 3.100 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152479268 1379940393 /nfs/dbraw/zinc/94/03/93/1379940393.db2.gz DDXPYSSYCCIYFK-ICSRJNTNSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH]cn1 ZINC001284600085 1380001039 /nfs/dbraw/zinc/00/10/39/1380001039.db2.gz YXYZSWFBQCGQNY-SFHVURJKSA-N 2 0 348.535 3.433 20 0 EGADRP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cc(C)cc(C)c1)C(C)(C)C)[NH+](C)C ZINC001284602488 1380002821 /nfs/dbraw/zinc/00/28/21/1380002821.db2.gz CXHSEQGMCXOOBC-RTBURBONSA-N 2 0 347.547 3.264 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001284614638 1380013792 /nfs/dbraw/zinc/01/37/92/1380013792.db2.gz VPAXEKICDXPXKX-RTBURBONSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)CCCC[NH+]1CCCC1)c1ccccc1 ZINC001153300127 1380051832 /nfs/dbraw/zinc/05/18/32/1380051832.db2.gz GOAHNWCMSBIHSV-IBGZPJMESA-N 2 0 331.504 3.110 20 0 EGADRP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313420 1380053229 /nfs/dbraw/zinc/05/32/29/1380053229.db2.gz QIZXDAOJTXDUMV-APWZRJJASA-N 2 0 349.494 3.025 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001153314266 1380054820 /nfs/dbraw/zinc/05/48/20/1380054820.db2.gz HHEVFECTAIHPNT-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP CC[N@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033933 1380187035 /nfs/dbraw/zinc/18/70/35/1380187035.db2.gz QMDKUNHSTLKJOS-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034205 1380187261 /nfs/dbraw/zinc/18/72/61/1380187261.db2.gz VODZNJUEPRZVIO-QKFVEJEJSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](CC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099148 1380207142 /nfs/dbraw/zinc/20/71/42/1380207142.db2.gz CCIJLENDGMEIOA-MRXNPFEDSA-N 2 0 325.541 3.122 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455008 1380280607 /nfs/dbraw/zinc/28/06/07/1380280607.db2.gz BEVNWVVTGWPCKZ-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)[NH+](C)C ZINC001154465865 1380283148 /nfs/dbraw/zinc/28/31/48/1380283148.db2.gz NRLLEOQEDWUILG-PKOBYXMFSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481671 1380285635 /nfs/dbraw/zinc/28/56/35/1380285635.db2.gz QGJMDTOOICNQDW-ZWKOTPCHSA-N 2 0 347.547 3.277 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580037 1380309043 /nfs/dbraw/zinc/30/90/43/1380309043.db2.gz LTQKZHRNCNHPAA-QGZVFWFLSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067104 1380402572 /nfs/dbraw/zinc/40/25/72/1380402572.db2.gz RTKMKAMTCJGIDF-UYAOXDASSA-N 2 0 347.547 3.216 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226964 1380426822 /nfs/dbraw/zinc/42/68/22/1380426822.db2.gz SKQZFPXEIRHHSR-ZWKOTPCHSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155250029 1380429131 /nfs/dbraw/zinc/42/91/31/1380429131.db2.gz ZPTGNTXATLGVJS-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255246 1380429502 /nfs/dbraw/zinc/42/95/02/1380429502.db2.gz OSORGZQOARQBDT-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283420 1380433299 /nfs/dbraw/zinc/43/32/99/1380433299.db2.gz SBXWZLRMVDUXHO-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001155289053 1380433595 /nfs/dbraw/zinc/43/35/95/1380433595.db2.gz HYQICHUWXYYKPL-XLIONFOSSA-N 2 0 347.547 3.306 20 0 EGADRP CCN(Cc1sccc1Cl)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900525 1380503915 /nfs/dbraw/zinc/50/39/15/1380503915.db2.gz WYCBSVPNNJWUOH-CYBMUJFWSA-N 2 0 345.940 3.070 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299310 1380553932 /nfs/dbraw/zinc/55/39/32/1380553932.db2.gz SADXTFKNKSWPNZ-HPFMTEOYSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(C[NH3+])c1 ZINC001156317736 1380557262 /nfs/dbraw/zinc/55/72/62/1380557262.db2.gz NEWXXAJVIJTGFG-MISYRCLQSA-N 2 0 336.483 3.171 20 0 EGADRP c1ncn(-c2ncccc2C[NH+]2CCCC2)c1C[NH2+]Cc1ccccc1 ZINC001156508559 1380585710 /nfs/dbraw/zinc/58/57/10/1380585710.db2.gz FTSIROHJVLLXEC-UHFFFAOYSA-N 2 0 347.466 3.153 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)c(C)c1 ZINC001156517365 1380587402 /nfs/dbraw/zinc/58/74/02/1380587402.db2.gz WFIXNZZUTNKEHV-LJQANCHMSA-N 2 0 347.547 3.362 20 0 EGADRP CC[N@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935235 1380733128 /nfs/dbraw/zinc/73/31/28/1380733128.db2.gz NUIKQXIWKLNUHR-HBAHQKBISA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092303 1380773872 /nfs/dbraw/zinc/77/38/72/1380773872.db2.gz QJDZPHIXGYNMEA-GOSISDBHSA-N 2 0 335.536 3.189 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2scc(-c3cccs3)c21 ZINC001157093506 1380774117 /nfs/dbraw/zinc/77/41/17/1380774117.db2.gz DCVMCYLKIBDXSJ-UHFFFAOYSA-N 2 0 346.485 3.095 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157109062 1380778047 /nfs/dbraw/zinc/77/80/47/1380778047.db2.gz IDGCDVCFWGSAIQ-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCCc1ccc(C)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114397 1380779833 /nfs/dbraw/zinc/77/98/33/1380779833.db2.gz XEFRGBPMQBWHTQ-LJQANCHMSA-N 2 0 347.547 3.094 20 0 EGADRP CC[N@H+](CCCc1cccc(C)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114176 1380780145 /nfs/dbraw/zinc/78/01/45/1380780145.db2.gz RVVQEKBHZWPFBV-LJQANCHMSA-N 2 0 347.547 3.094 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157118963 1380780311 /nfs/dbraw/zinc/78/03/11/1380780311.db2.gz QFDOJRVOKPLXEF-RTBURBONSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)CCC[NH+]3C)nc1 ZINC001157281267 1380832383 /nfs/dbraw/zinc/83/23/83/1380832383.db2.gz DZFRGJHXGWWVEL-OTWHNJEPSA-N 2 0 328.504 3.159 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001157899067 1381065224 /nfs/dbraw/zinc/06/52/24/1381065224.db2.gz IVUVQZVTDQTDMM-PKOBYXMFSA-N 2 0 331.504 3.025 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001158080261 1381122479 /nfs/dbraw/zinc/12/24/79/1381122479.db2.gz ZWBRJXVSIWRCRA-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082316 1381122707 /nfs/dbraw/zinc/12/27/07/1381122707.db2.gz BOAINOQVYIKATA-RTBURBONSA-N 2 0 335.536 3.140 20 0 EGADRP CN(C)c1cc[nH+]c(-n2c3cc(Cl)ccc3nc2CCC[NH3+])c1 ZINC001158136756 1381138586 /nfs/dbraw/zinc/13/85/86/1381138586.db2.gz LFMDFNIWBJDPAF-UHFFFAOYSA-N 2 0 329.835 3.031 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385399 1381227525 /nfs/dbraw/zinc/22/75/25/1381227525.db2.gz GRFUWTPKJFHMGF-MRNGTQDMSA-N 2 0 349.563 3.386 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158435136 1381246397 /nfs/dbraw/zinc/24/63/97/1381246397.db2.gz SGVZHYDWZPPIRG-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001158549340 1381292358 /nfs/dbraw/zinc/29/23/58/1381292358.db2.gz CKDZLIBNMUZHTM-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158704917 1381360496 /nfs/dbraw/zinc/36/04/96/1381360496.db2.gz ZDQOWADTCHOBJT-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158786636 1381399898 /nfs/dbraw/zinc/39/98/98/1381399898.db2.gz BMCHVSUUQFOOIJ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP COc1cc2c[nH+]c(NCC34CC[NH+](CC3)CC4)cc2cc1OC ZINC001158828438 1381420339 /nfs/dbraw/zinc/42/03/39/1381420339.db2.gz ASBZXCOFDXPGCV-UHFFFAOYSA-N 2 0 327.428 3.150 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158914283 1381461408 /nfs/dbraw/zinc/46/14/08/1381461408.db2.gz LSBGTMZBSNMLGC-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP Cc1ccccc1C[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159155112 1381677586 /nfs/dbraw/zinc/67/75/86/1381677586.db2.gz JCZAOTQWUCMFGQ-UHFFFAOYSA-N 2 0 345.512 3.028 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001159335381 1381767895 /nfs/dbraw/zinc/76/78/95/1381767895.db2.gz ZIRFDMYWKGHQCU-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001159355367 1381775244 /nfs/dbraw/zinc/77/52/44/1381775244.db2.gz DNEHIIYPYMNKDR-HKUYNNGSSA-N 2 0 331.504 3.026 20 0 EGADRP C[NH+]1CCN(c2cccnc2Nc2ccc([C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001159366029 1381777947 /nfs/dbraw/zinc/77/79/47/1381777947.db2.gz RJDMDRWTUGJEGA-SFHVURJKSA-N 2 0 337.471 3.002 20 0 EGADRP Cc1sc2ncnc(N[C@@H]([NH3+])CCC[NH3+])c2c1-c1ccccc1 ZINC001159786684 1381900155 /nfs/dbraw/zinc/90/01/55/1381900155.db2.gz HGTZCNGJUQEAEI-CYBMUJFWSA-N 2 0 327.457 3.102 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001159916723 1381936310 /nfs/dbraw/zinc/93/63/10/1381936310.db2.gz RFCBCUPOGBONHU-XLIONFOSSA-N 2 0 343.515 3.251 20 0 EGADRP O=C(NCCC[NH2+]CC1CC2(CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159915241 1381936584 /nfs/dbraw/zinc/93/65/84/1381936584.db2.gz HYGSFEDBDAYTKW-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP c1[nH+]cn(Cc2ccccc2)c1Nc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC001159920884 1381936971 /nfs/dbraw/zinc/93/69/71/1381936971.db2.gz UDOZHADTRLOVRZ-LJQANCHMSA-N 2 0 334.423 3.416 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC001159997502 1381964150 /nfs/dbraw/zinc/96/41/50/1381964150.db2.gz PCNXRUJTQGLIKD-UHFFFAOYSA-N 2 0 345.531 3.064 20 0 EGADRP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2ccc3c[nH+]cn3c2)c1 ZINC001160135113 1382010175 /nfs/dbraw/zinc/01/01/75/1382010175.db2.gz ZCUZNEZBYGYHIS-UHFFFAOYSA-N 2 0 326.375 3.348 20 0 EGADRP Fc1cccc(OCC2CC[NH2+]CC2)c1NC=CC1CC[NH2+]CC1 ZINC001160155532 1382019100 /nfs/dbraw/zinc/01/91/00/1382019100.db2.gz AFQGAVQBPMEGBM-MDWZMJQESA-N 2 0 333.451 3.129 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169229 1382022948 /nfs/dbraw/zinc/02/29/48/1382022948.db2.gz MHKOEXGUOFRMHK-VQTJNVASSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCc3cccc4ncoc43)c2)CC1 ZINC001160260762 1382052989 /nfs/dbraw/zinc/05/29/89/1382052989.db2.gz LUEOZLJVAICSOC-UHFFFAOYSA-N 2 0 338.411 3.308 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160273400 1382058482 /nfs/dbraw/zinc/05/84/82/1382058482.db2.gz LUBRTBVFQXDKJA-ROUUACIJSA-N 2 0 331.504 3.026 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2=CC[N@H+](CCCC(C)(C)C)CC2)CCC1 ZINC001160360135 1382082009 /nfs/dbraw/zinc/08/20/09/1382082009.db2.gz JSSAOZKHGZLFLF-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1)C1CC1 ZINC001160367971 1382084572 /nfs/dbraw/zinc/08/45/72/1382084572.db2.gz WSSXZLQBWCOLHH-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001160501112 1382125248 /nfs/dbraw/zinc/12/52/48/1382125248.db2.gz XBQVRGITTSEBLT-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559368 1382141944 /nfs/dbraw/zinc/14/19/44/1382141944.db2.gz GZFONEUCAJVSQZ-UHFFFAOYSA-N 2 0 335.536 3.186 20 0 EGADRP [NH3+]CCc1cn(-c2nccc(Oc3ccccc3)n2)c2cc[nH+]cc12 ZINC001160945592 1382246670 /nfs/dbraw/zinc/24/66/70/1382246670.db2.gz GEOMJHHLGOVJKQ-UHFFFAOYSA-N 2 0 331.379 3.109 20 0 EGADRP [NH3+]CCc1cn(-c2cncc(Oc3cccc(F)c3)n2)c2cc[nH+]cc12 ZINC001160950039 1382248652 /nfs/dbraw/zinc/24/86/52/1382248652.db2.gz IMJMREDIXDFYDU-UHFFFAOYSA-N 2 0 349.369 3.248 20 0 EGADRP CCCC[C@H]([NH2+]C)C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160957954 1382250822 /nfs/dbraw/zinc/25/08/22/1382250822.db2.gz SPKMPGYCSASVQZ-IHPCNDPISA-N 2 0 345.531 3.134 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001160986053 1382262014 /nfs/dbraw/zinc/26/20/14/1382262014.db2.gz LLZYSKTWUVRXLG-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001161029684 1382277768 /nfs/dbraw/zinc/27/77/68/1382277768.db2.gz ROGDNVTXESVPSG-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)c3ccccc3C[NH3+])CC2)CC1 ZINC001161047590 1382282726 /nfs/dbraw/zinc/28/27/26/1382282726.db2.gz INZLLRGTOLPPQZ-UHFFFAOYSA-N 2 0 343.515 3.120 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCC3CCCC3)CC2)CC1 ZINC001161084093 1382292828 /nfs/dbraw/zinc/29/28/28/1382292828.db2.gz GKTBPZUNDPGNAQ-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCC2=CC[NH+](CC3CCCC3)CC2)C1 ZINC001161219664 1382346599 /nfs/dbraw/zinc/34/65/99/1382346599.db2.gz KGQTUFRYFVDKQC-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001161226343 1382348109 /nfs/dbraw/zinc/34/81/09/1382348109.db2.gz DPNDZDWTIKVFLH-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001161519125 1382429455 /nfs/dbraw/zinc/42/94/55/1382429455.db2.gz ZCJXJHOJMZVLOI-UHFFFAOYSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001161644612 1382468197 /nfs/dbraw/zinc/46/81/97/1382468197.db2.gz PZRRPWDWVBIHKX-IBGZPJMESA-N 2 0 335.536 3.093 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161645345 1382468359 /nfs/dbraw/zinc/46/83/59/1382468359.db2.gz DFUXSOOUNZJTIW-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001294614227 1382479856 /nfs/dbraw/zinc/47/98/56/1382479856.db2.gz KAERTDLMJIRLIU-AZUAARDMSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161749736 1382494248 /nfs/dbraw/zinc/49/42/48/1382494248.db2.gz IULUMQFGPOPPNA-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)c1cccc(Cl)c1 ZINC001161789450 1382506318 /nfs/dbraw/zinc/50/63/18/1382506318.db2.gz OYWWZEMOSNAGIB-OAHLLOKOSA-N 2 0 349.906 3.125 20 0 EGADRP Cc1nc(N(C)C)cc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)[nH+]1 ZINC001161821411 1382520540 /nfs/dbraw/zinc/52/05/40/1382520540.db2.gz XORKCRMMPPQSIM-LJQANCHMSA-N 2 0 343.450 3.143 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001161878754 1382538060 /nfs/dbraw/zinc/53/80/60/1382538060.db2.gz AFCXYKRPVWCKDV-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925176 1382555558 /nfs/dbraw/zinc/55/55/58/1382555558.db2.gz YLHZJJXLDQFLOF-HDICACEKSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(NC[C@H]2C[NH2+]CC(C)(C)O2)nc1 ZINC001161956883 1382570891 /nfs/dbraw/zinc/57/08/91/1382570891.db2.gz UPLFUXINPDSQAN-MSOLQXFVSA-N 2 0 346.519 3.198 20 0 EGADRP COc1cccc(CC2([NH3+])CCN(c3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC001162045268 1382612757 /nfs/dbraw/zinc/61/27/57/1382612757.db2.gz FWWKXUTYNSINEK-UHFFFAOYSA-N 2 0 336.439 3.112 20 0 EGADRP CC(C)[NH+]1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c(F)c2)CC1 ZINC001162404968 1382748619 /nfs/dbraw/zinc/74/86/19/1382748619.db2.gz RXKDZBCTFHANGR-QZTJIDSGSA-N 2 0 348.510 3.034 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162404309 1382748647 /nfs/dbraw/zinc/74/86/47/1382748647.db2.gz KJBOSLMRYWLUBD-QWHCGFSZSA-N 2 0 326.282 3.193 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163223975 1382997738 /nfs/dbraw/zinc/99/77/38/1382997738.db2.gz PMXFGVJCBHUHGB-FXAWDEMLSA-N 2 0 343.515 3.026 20 0 EGADRP Brc1cccc2[nH+]cc(N[C@H]3C[NH2+]Cc4ccsc43)n21 ZINC001163229917 1383000100 /nfs/dbraw/zinc/00/01/00/1383000100.db2.gz MDCXPFSIPSWIBK-JTQLQIEISA-N 2 0 349.257 3.415 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163231333 1383001152 /nfs/dbraw/zinc/00/11/52/1383001152.db2.gz CJZREVQQVOHFFS-FQEVSTJZSA-N 2 0 349.563 3.317 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]Cc1cccc(F)c1)C1CCCCC1 ZINC001163275227 1383010634 /nfs/dbraw/zinc/01/06/34/1383010634.db2.gz UYPOVAHOACNWMX-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163290977 1383014142 /nfs/dbraw/zinc/01/41/42/1383014142.db2.gz WVLMYZAAOLQYKC-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297796 1383015001 /nfs/dbraw/zinc/01/50/01/1383015001.db2.gz UFRHWTJVTSQNAD-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163332465 1383024567 /nfs/dbraw/zinc/02/45/67/1383024567.db2.gz JWXNTFGKTZRIKM-FPOVZHCZSA-N 2 0 343.515 3.304 20 0 EGADRP Cc1c(C)n(-c2ccc3c(C4C[NH2+]C4)ncn3c2)c2ccc(C[NH3+])cc12 ZINC001163761475 1383119128 /nfs/dbraw/zinc/11/91/28/1383119128.db2.gz OYJDURFCONHOLQ-UHFFFAOYSA-N 2 0 345.450 3.041 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163831929 1383127114 /nfs/dbraw/zinc/12/71/14/1383127114.db2.gz BYNLAAKQZREOLQ-KRWDZBQOSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001164449336 1383187917 /nfs/dbraw/zinc/18/79/17/1383187917.db2.gz IARKXUYAMMKWJA-RTBURBONSA-N 2 0 345.531 3.274 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164515111 1383195281 /nfs/dbraw/zinc/19/52/81/1383195281.db2.gz VSZKCLHIBIFXIT-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164536669 1383197330 /nfs/dbraw/zinc/19/73/30/1383197330.db2.gz PKEVISPXERWUHP-WAYWQWQTSA-N 2 0 349.563 3.483 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H]3c3nccs3)c2)CC1 ZINC001165139343 1383235252 /nfs/dbraw/zinc/23/52/52/1383235252.db2.gz HGFGICXNUOTCRS-MRXNPFEDSA-N 2 0 344.484 3.353 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2ccnc2[C@@H]2CCC[NH2+]C2)nc1 ZINC001165144282 1383236658 /nfs/dbraw/zinc/23/66/58/1383236658.db2.gz QSLGXGGHYVFZLF-QZTJIDSGSA-N 2 0 339.487 3.281 20 0 EGADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165243097 1383256688 /nfs/dbraw/zinc/25/66/88/1383256688.db2.gz LIPHZRGIYUJWBZ-OAQYLSRUSA-N 2 0 336.483 3.415 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001165765126 1383342219 /nfs/dbraw/zinc/34/22/19/1383342219.db2.gz YZHMDGXMJHMTTA-IBGZPJMESA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001166004779 1383376647 /nfs/dbraw/zinc/37/66/47/1383376647.db2.gz XNVYIJSGDPMFAR-WMLDXEAASA-N 2 0 339.911 3.083 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC1CCCCCC1)[NH+](CC)CC ZINC001166439653 1383422602 /nfs/dbraw/zinc/42/26/02/1383422602.db2.gz JIQMXLNWXCPPCR-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CCCc1ccc(C)cc1)[NH+](CC)CC ZINC001166440333 1383422691 /nfs/dbraw/zinc/42/26/91/1383422691.db2.gz VVWNYSRCLFLPFC-FQEVSTJZSA-N 2 0 347.547 3.144 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1)[NH+](CC)CC ZINC001166447086 1383423645 /nfs/dbraw/zinc/42/36/45/1383423645.db2.gz HHRSELIKAZYKIT-PKOBYXMFSA-N 2 0 333.520 3.272 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)[NH+](CC)CC ZINC001166448196 1383423817 /nfs/dbraw/zinc/42/38/17/1383423817.db2.gz RQZDGAZNCDTZKP-VQTJNVASSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001166626589 1383449759 /nfs/dbraw/zinc/44/97/59/1383449759.db2.gz HIHXQWWFHCYYMK-QGZVFWFLSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166686668 1383460446 /nfs/dbraw/zinc/46/04/46/1383460446.db2.gz BOLAAHDWVKMKQS-IBGZPJMESA-N 2 0 343.531 3.121 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687201 1383460741 /nfs/dbraw/zinc/46/07/41/1383460741.db2.gz IMAUOPJWGHSTIA-UCFODXPJSA-N 2 0 341.515 3.041 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001166843486 1383486499 /nfs/dbraw/zinc/48/64/99/1383486499.db2.gz UZRYOULOLQRQHG-HKUYNNGSSA-N 2 0 347.547 3.093 20 0 EGADRP Cc1cnc(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)c(C[NH3+])c1 ZINC001166911132 1383498697 /nfs/dbraw/zinc/49/86/97/1383498697.db2.gz VPEFDUCOBHTNMV-UHFFFAOYSA-N 2 0 339.270 3.121 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001167179232 1383559370 /nfs/dbraw/zinc/55/93/70/1383559370.db2.gz FJWFOGMCXQKBJO-DAWZGUTISA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1ccccc1 ZINC001167224458 1383570035 /nfs/dbraw/zinc/57/00/35/1383570035.db2.gz KPTJKOGLQMQNED-ZWKOTPCHSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167237229 1383572453 /nfs/dbraw/zinc/57/24/53/1383572453.db2.gz XKPZMFCXLWQRKX-PKOBYXMFSA-N 2 0 349.563 3.031 20 0 EGADRP C[NH+](C)[C@H]1CCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167322038 1383597494 /nfs/dbraw/zinc/59/74/94/1383597494.db2.gz PBCDORVKTDLXCE-QFIPXVFZSA-N 2 0 343.559 3.357 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425999 1383631370 /nfs/dbraw/zinc/63/13/70/1383631370.db2.gz NMDVHDGNCFGHBY-FKDQEEMOSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466156 1383640305 /nfs/dbraw/zinc/64/03/05/1383640305.db2.gz DOXCVNSKMZFUPW-ZWKOTPCHSA-N 2 0 339.568 3.275 20 0 EGADRP C[N@H+](CCc1ccccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC001167477103 1383645912 /nfs/dbraw/zinc/64/59/12/1383645912.db2.gz AWMRARDGERHOBJ-AWEZNQCLSA-N 2 0 325.294 3.265 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167627011 1383692484 /nfs/dbraw/zinc/69/24/84/1383692484.db2.gz ISCMVFWSDYEOLR-ROUUACIJSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001167634287 1383694251 /nfs/dbraw/zinc/69/42/51/1383694251.db2.gz HMBDCIFZZLKELW-IEBWSBKVSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167636326 1383694694 /nfs/dbraw/zinc/69/46/94/1383694694.db2.gz SKIYWOGYDSIULN-AZUAARDMSA-N 2 0 345.531 3.415 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001167709823 1383718732 /nfs/dbraw/zinc/71/87/32/1383718732.db2.gz DKUCNQQEVBNVRC-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CCCC[NH+](CCCC)CCNc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001167733450 1383724982 /nfs/dbraw/zinc/72/49/82/1383724982.db2.gz VVOIDXFCNHKHHK-UHFFFAOYSA-N 2 0 346.563 3.406 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001167737210 1383725860 /nfs/dbraw/zinc/72/58/60/1383725860.db2.gz OOSIHNRBHWRPEK-QGZVFWFLSA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001167812829 1383746252 /nfs/dbraw/zinc/74/62/52/1383746252.db2.gz WWRLKZQRRRXGEJ-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1ccc(OC)cn1)C1CC[NH2+]CC1 ZINC001167835838 1383753730 /nfs/dbraw/zinc/75/37/30/1383753730.db2.gz UMHBEUUIQPUBGN-KRWDZBQOSA-N 2 0 348.535 3.159 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1cc(OC)cc[nH+]1)C1CC[NH2+]CC1 ZINC001167835867 1383753869 /nfs/dbraw/zinc/75/38/69/1383753869.db2.gz UYPQXJVRLFNBNW-QGZVFWFLSA-N 3 0 348.535 3.159 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001167835883 1383753947 /nfs/dbraw/zinc/75/39/47/1383753947.db2.gz VIQKNXKTCAXAJC-SFHVURJKSA-N 3 0 339.568 3.072 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001167842905 1383757153 /nfs/dbraw/zinc/75/71/53/1383757153.db2.gz ZPEVLBNXQMEFIS-NQIIRXRSSA-N 2 0 329.532 3.412 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940912 1383774266 /nfs/dbraw/zinc/77/42/66/1383774266.db2.gz YZTBJZKILSREJW-VSZNYVQBSA-N 2 0 330.472 3.133 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167962179 1383780603 /nfs/dbraw/zinc/78/06/03/1383780603.db2.gz VEJYTGNYTNNSNZ-MEKRXLCPSA-N 3 0 333.564 3.349 20 0 EGADRP C[NH+](C)Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167968343 1383781104 /nfs/dbraw/zinc/78/11/04/1383781104.db2.gz PVTITIPUPIZBFC-FRIKZZABSA-N 3 0 341.543 3.286 20 0 EGADRP c1cnc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)nc1 ZINC001167996136 1383792099 /nfs/dbraw/zinc/79/20/99/1383792099.db2.gz XFRJRKLUSJJTIH-DFNIBXOVSA-N 2 0 326.488 3.061 20 0 EGADRP Cc1cnccc1O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001350 1383792469 /nfs/dbraw/zinc/79/24/69/1383792469.db2.gz ATHRGXOEISENLO-XNMUZJSGSA-N 2 0 341.499 3.249 20 0 EGADRP Cc1cccnc1O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001934 1383793361 /nfs/dbraw/zinc/79/33/61/1383793361.db2.gz KYPXBKICTXVKFK-JIRNRHONSA-N 2 0 341.499 3.249 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168004999 1383794285 /nfs/dbraw/zinc/79/42/85/1383794285.db2.gz DHFGDWMNLVOHGZ-OPVJXMOQSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC([NH2+]CCCn2ccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005438 1383794736 /nfs/dbraw/zinc/79/47/36/1383794736.db2.gz ITSDBTDKVBKIBW-QZTJIDSGSA-N 2 0 326.488 3.304 20 0 EGADRP COC(=O)C1(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC001168009899 1383795630 /nfs/dbraw/zinc/79/56/30/1383795630.db2.gz IKXMDDWBMDTLKZ-IAGOWNOFSA-N 2 0 344.499 3.361 20 0 EGADRP C[C@H]1CC([NH2+]Cc2ccc(=O)[nH]c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168013590 1383797186 /nfs/dbraw/zinc/79/71/86/1383797186.db2.gz IELMBHUHWLTFKZ-HOTGVXAUSA-N 2 0 325.456 3.318 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025917 1383799181 /nfs/dbraw/zinc/79/91/81/1383799181.db2.gz KOOLLSHKDLRWPI-LHDHZVESSA-N 2 0 344.499 3.359 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168023897 1383799394 /nfs/dbraw/zinc/79/93/94/1383799394.db2.gz YWWALAGSJGRYET-RWQQGDIJSA-N 2 0 344.499 3.359 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168023894 1383799543 /nfs/dbraw/zinc/79/95/43/1383799543.db2.gz YWWALAGSJGRYET-DKKFBQAASA-N 2 0 344.499 3.359 20 0 EGADRP COC(=O)CCCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168034072 1383801416 /nfs/dbraw/zinc/80/14/16/1383801416.db2.gz OFSVMPVEEHQMPW-IAGOWNOFSA-N 2 0 332.488 3.361 20 0 EGADRP C[C@@H]1CC([N@H+]2C[C@H]3[C@H](C2)CCCN3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056637 1383805402 /nfs/dbraw/zinc/80/54/02/1383805402.db2.gz HEVYBKKAMWHBGH-VFSLUADLSA-N 2 0 341.543 3.454 20 0 EGADRP CCOC(=O)[C@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056808 1383805959 /nfs/dbraw/zinc/80/59/59/1383805959.db2.gz IRRRZGSTSZRXQI-LNLFQRSKSA-N 2 0 344.499 3.313 20 0 EGADRP CC[N@@H+]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168063369 1383807862 /nfs/dbraw/zinc/80/78/62/1383807862.db2.gz AMABMBBWWJOCGZ-RCLSDMTESA-N 2 0 329.532 3.454 20 0 EGADRP C[C@@H]1CC(N2CCC[C@@H]3C[N@H+](C)C[C@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065703 1383808322 /nfs/dbraw/zinc/80/83/22/1383808322.db2.gz XSWMHSXDDZQZHE-RMEPHLEKSA-N 2 0 341.543 3.454 20 0 EGADRP C[C@H]1C[C@@H](n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)CCO1 ZINC001168087620 1383813899 /nfs/dbraw/zinc/81/38/99/1383813899.db2.gz MEDBSAQHKAJYER-LPHOPBHVSA-N 2 0 341.499 3.347 20 0 EGADRP C[NH+](C)C1CCC([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168312295 1383870788 /nfs/dbraw/zinc/87/07/88/1383870788.db2.gz OUEXYFWZEXSBSH-CSDCYZPHSA-N 3 0 330.520 3.026 20 0 EGADRP C[NH+](C)C1CCC(n2ccc3c2cccc3N2CC[NH2+]CC2)CC1 ZINC001168324438 1383873149 /nfs/dbraw/zinc/87/31/49/1383873149.db2.gz OOPBTSKKKODOGQ-UHFFFAOYSA-N 2 0 326.488 3.096 20 0 EGADRP COC(=O)c1cccc([C@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)c1 ZINC001168329708 1383875195 /nfs/dbraw/zinc/87/51/95/1383875195.db2.gz DLLMYXZYXCHYCC-CTWPCTMYSA-N 2 0 330.472 3.483 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168330210 1383875238 /nfs/dbraw/zinc/87/52/38/1383875238.db2.gz NHCATPWUHYDNAS-RJYAGPCLSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001168344408 1383879080 /nfs/dbraw/zinc/87/90/80/1383879080.db2.gz BDFAFTQGDWJTCM-MRXNPFEDSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168371607 1383886816 /nfs/dbraw/zinc/88/68/16/1383886816.db2.gz PJQZJHNNIBIXKL-AVRDEDQJSA-N 3 0 341.543 3.361 20 0 EGADRP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415819 1383900750 /nfs/dbraw/zinc/90/07/50/1383900750.db2.gz DFPGYILLTQDHGH-HXUWFJFHSA-N 2 0 339.458 3.114 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168433907 1383904841 /nfs/dbraw/zinc/90/48/41/1383904841.db2.gz KADXKGREQOMEJF-KRWDZBQOSA-N 2 0 333.520 3.140 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168591081 1383943878 /nfs/dbraw/zinc/94/38/78/1383943878.db2.gz SLUJGSDNKRSCBJ-NUABRCLCSA-N 2 0 330.472 3.130 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168594812 1383944423 /nfs/dbraw/zinc/94/44/23/1383944423.db2.gz ALEGSCZTAJMFIX-NTMALXAHSA-N 2 0 325.541 3.341 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001168601234 1383945809 /nfs/dbraw/zinc/94/58/09/1383945809.db2.gz OLWVXEPRDQQYNI-SFTDATJTSA-N 3 0 344.547 3.142 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC001168666485 1383964751 /nfs/dbraw/zinc/96/47/51/1383964751.db2.gz HGTLKSKXPVUSQE-HXUWFJFHSA-N 2 0 347.547 3.266 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168705263 1383974519 /nfs/dbraw/zinc/97/45/19/1383974519.db2.gz UAIZWPHIFUXOAK-OAHLLOKOSA-N 2 0 337.939 3.283 20 0 EGADRP COC(=O)C1(C)CCC([NH2+][C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001168750070 1383991958 /nfs/dbraw/zinc/99/19/58/1383991958.db2.gz DXIJETSBOOJVER-QPIRBTGLSA-N 2 0 332.488 3.391 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001168754766 1383993013 /nfs/dbraw/zinc/99/30/13/1383993013.db2.gz BEIWEMIURSOQTP-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@H]1C[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CN1C(=O)OC(C)(C)C ZINC001168812077 1384015871 /nfs/dbraw/zinc/01/58/71/1384015871.db2.gz PPLVVAGYIPXMGR-DZGCQCFKSA-N 2 0 339.524 3.365 20 0 EGADRP [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1cccc2c1C[NH2+]CC2 ZINC001168995063 1384082239 /nfs/dbraw/zinc/08/22/39/1384082239.db2.gz HSMGEIMZZLFGAY-UHFFFAOYSA-N 2 0 340.858 3.216 20 0 EGADRP C[NH+](C)Cc1ccc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])nc1 ZINC001168994436 1384082268 /nfs/dbraw/zinc/08/22/68/1384082268.db2.gz SHUMAZWWTINCJL-UHFFFAOYSA-N 2 0 343.862 3.027 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001169108696 1384108362 /nfs/dbraw/zinc/10/83/62/1384108362.db2.gz VPYBDEAPGDXIDB-WCXIOVBPSA-N 2 0 339.524 3.141 20 0 EGADRP CCC(=O)N1CCC([NH2+]Cc2cccc(C[NH+](CC)CC)c2)CC1 ZINC001308206830 1384109168 /nfs/dbraw/zinc/10/91/68/1384109168.db2.gz YEIKWYQIJVUUPC-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccc(Cl)cc3)CC1)C2 ZINC001169119582 1384109778 /nfs/dbraw/zinc/10/97/78/1384109778.db2.gz UYYPCHIGCYBVFR-PIIMJCKOSA-N 2 0 333.907 3.215 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cc(Br)cs1)C2 ZINC001169124356 1384110194 /nfs/dbraw/zinc/11/01/94/1384110194.db2.gz QFDQBMKLKUYWOH-CLLJXQQHSA-N 2 0 329.307 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001169134891 1384112156 /nfs/dbraw/zinc/11/21/56/1384112156.db2.gz UKSBMTIGKZLAOS-RTBURBONSA-N 2 0 337.552 3.031 20 0 EGADRP COC(=O)c1ccc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169144658 1384113922 /nfs/dbraw/zinc/11/39/22/1384113922.db2.gz LLZWTKKDDXTBNF-PMOLBWCYSA-N 2 0 342.483 3.278 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160920 1384117605 /nfs/dbraw/zinc/11/76/05/1384117605.db2.gz MSAJJHCQJXCFHP-ZRNYENFQSA-N 2 0 342.483 3.067 20 0 EGADRP C[C@@H]([NH3+])c1ccn(-c2ccc([C@@H](CC[NH+](C)C)c3ccccn3)cc2)n1 ZINC001169233540 1384125206 /nfs/dbraw/zinc/12/52/06/1384125206.db2.gz RKOAKDLAGMTYMR-VQIMIIECSA-N 2 0 349.482 3.371 20 0 EGADRP CCC[C@@]1(C[NH2+]C2CC[NH+](CC)CC2)CCN1C(=O)OC(C)(C)C ZINC001169241523 1384126415 /nfs/dbraw/zinc/12/64/15/1384126415.db2.gz OARIEQUKAGVKPF-IBGZPJMESA-N 2 0 339.524 3.240 20 0 EGADRP CCN1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241200 1384126556 /nfs/dbraw/zinc/12/65/56/1384126556.db2.gz JPFQXGJAOYJGRP-WGSAOQKQSA-N 2 0 333.495 3.382 20 0 EGADRP COc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc1Cl ZINC001308488342 1384128408 /nfs/dbraw/zinc/12/84/08/1384128408.db2.gz ZOZRRYUABJODAC-UHFFFAOYSA-N 2 0 346.862 3.108 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305476 1384134288 /nfs/dbraw/zinc/13/42/88/1384134288.db2.gz LHLSLYHRLNJKNL-UHFFFAOYSA-N 2 0 332.488 3.428 20 0 EGADRP CCC(CC)[N@H+]([C@H](C)CC(=O)N(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169452707 1384149572 /nfs/dbraw/zinc/14/95/72/1384149572.db2.gz QFCUXEVVECUYPE-JFIYKMOQSA-N 2 0 325.541 3.394 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc(CC[NH3+])c3ncccc32)nc1 ZINC001169704669 1384175449 /nfs/dbraw/zinc/17/54/49/1384175449.db2.gz FCBZPGHMOHNNFJ-MRXNPFEDSA-N 2 0 349.482 3.296 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170025527 1384220496 /nfs/dbraw/zinc/22/04/96/1384220496.db2.gz CWTNNNHMZLZLOC-UHFFFAOYSA-N 2 0 335.455 3.174 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170794272 1384386921 /nfs/dbraw/zinc/38/69/21/1384386921.db2.gz CGKIDBPJDVRDIG-ROUUACIJSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001170863992 1384400964 /nfs/dbraw/zinc/40/09/64/1384400964.db2.gz ZLMASDXBMNCTFA-QWFCFKBJSA-N 2 0 345.531 3.100 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]CCC(C)(C)C)c1ccccc1 ZINC001170867530 1384401676 /nfs/dbraw/zinc/40/16/76/1384401676.db2.gz JRCRYKKOQHCICT-SFHVURJKSA-N 2 0 333.520 3.212 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc2ccccc2)CC[N@@H+]1C ZINC001170877336 1384403351 /nfs/dbraw/zinc/40/33/51/1384403351.db2.gz BRVVPEANTUMAIZ-YZGWKJHDSA-N 2 0 345.531 3.182 20 0 EGADRP C[NH+]1CCC2(C[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C2)CC1 ZINC001170887656 1384405803 /nfs/dbraw/zinc/40/58/03/1384405803.db2.gz XIMIUEJTLBUQCQ-QGZVFWFLSA-N 2 0 349.316 3.334 20 0 EGADRP NC(=[NH2+])SCCSC(=[NH2+])N[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171025664 1384431814 /nfs/dbraw/zinc/43/18/14/1384431814.db2.gz OIMQCDHOIBIWRH-SNVBAGLBSA-N 2 0 342.921 3.082 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171120989 1384449807 /nfs/dbraw/zinc/44/98/07/1384449807.db2.gz QTTQKAPXVXECSF-RJCMGOLDSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001171162107 1384458501 /nfs/dbraw/zinc/45/85/01/1384458501.db2.gz ULSVXPZXNUJCRF-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001171175733 1384461174 /nfs/dbraw/zinc/46/11/74/1384461174.db2.gz UOOMVHXJJDGLTB-RTBURBONSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001171238600 1384476986 /nfs/dbraw/zinc/47/69/86/1384476986.db2.gz WJNRUSZMAWYVGY-HKUYNNGSSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253689 1384479099 /nfs/dbraw/zinc/47/90/99/1384479099.db2.gz GTMHWLRBTWUHNO-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171255039 1384479898 /nfs/dbraw/zinc/47/98/98/1384479898.db2.gz YONJLJQFRAUDOX-MRXNPFEDSA-N 2 0 337.552 3.172 20 0 EGADRP COc1cccc2c(NCc3ccccc3N3CC[NH2+]CC3)ccnc12 ZINC001171283420 1384485293 /nfs/dbraw/zinc/48/52/93/1384485293.db2.gz FJZRMFHUKBOSKL-UHFFFAOYSA-N 2 0 348.450 3.265 20 0 EGADRP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CC3(C1)CC[NH+](C)CC3)CC2 ZINC001171326010 1384495314 /nfs/dbraw/zinc/49/53/14/1384495314.db2.gz INJLYEBJKDDDRN-AWEZNQCLSA-N 2 0 334.891 3.234 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367028 1384503522 /nfs/dbraw/zinc/50/35/22/1384503522.db2.gz HAVVYPGTXMOWAX-ROUUACIJSA-N 2 0 327.557 3.273 20 0 EGADRP COc1ccc2[nH+]c(C)cc(N3c4ccccc4OC[C@@H]3C[NH3+])c2c1 ZINC001171392154 1384511392 /nfs/dbraw/zinc/51/13/92/1384511392.db2.gz AUDRYOQPOGLKBK-AWEZNQCLSA-N 2 0 335.407 3.410 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439119 1384523972 /nfs/dbraw/zinc/52/39/72/1384523972.db2.gz WPSHOXODKAHXIH-LJQANCHMSA-N 2 0 347.522 3.033 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001171499734 1384543411 /nfs/dbraw/zinc/54/34/11/1384543411.db2.gz GKCXUKMLLCZTDU-LUTBZEOJSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509000 1384545871 /nfs/dbraw/zinc/54/58/71/1384545871.db2.gz KZALOXKWYCJGRK-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171510104 1384547176 /nfs/dbraw/zinc/54/71/76/1384547176.db2.gz YJPJYDWLQVNFDI-IHVSBYRNSA-N 2 0 325.541 3.338 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171538913 1384556351 /nfs/dbraw/zinc/55/63/51/1384556351.db2.gz PPWGQYAYDORALD-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001171675344 1384598950 /nfs/dbraw/zinc/59/89/50/1384598950.db2.gz PYHVDZXTCMOAGR-HLAWJBBLSA-N 2 0 329.532 3.026 20 0 EGADRP C[C@H]1C[C@@H](N2Cc3ccccc3C[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171741409 1384622371 /nfs/dbraw/zinc/62/23/71/1384622371.db2.gz PDIKGUOEDJVTHO-BULFRSBZSA-N 2 0 335.495 3.035 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171924333 1384683999 /nfs/dbraw/zinc/68/39/99/1384683999.db2.gz NRCGKQPNXIEVCA-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CCOC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973145 1384699158 /nfs/dbraw/zinc/69/91/58/1384699158.db2.gz WMXDDHKHASTQMM-AEFFLSMTSA-N 2 0 332.488 3.361 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCN2CCC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974573 1384700745 /nfs/dbraw/zinc/70/07/45/1384700745.db2.gz HPCBTUJTIHYVOY-WOJBJXKFSA-N 2 0 347.522 3.453 20 0 EGADRP C[NH+](C)[C@@H]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985529 1384703458 /nfs/dbraw/zinc/70/34/58/1384703458.db2.gz XRMDDHDBWIUWIS-VQTJNVASSA-N 2 0 329.532 3.456 20 0 EGADRP CC1(C)C[C@H]([NH+]2CCC(C)(C(N)=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171985206 1384704212 /nfs/dbraw/zinc/70/42/12/1384704212.db2.gz TWMTVRSUYNPZTG-GOSISDBHSA-N 2 0 343.515 3.017 20 0 EGADRP CCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988039 1384705965 /nfs/dbraw/zinc/70/59/65/1384705965.db2.gz OCBXUXMPUBCQHV-MOPGFXCFSA-N 2 0 344.499 3.315 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001316936150 1384707911 /nfs/dbraw/zinc/70/79/11/1384707911.db2.gz RIKVQGKCZQDUSX-PKOBYXMFSA-N 2 0 339.568 3.178 20 0 EGADRP OCC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC001172062691 1384714422 /nfs/dbraw/zinc/71/44/22/1384714422.db2.gz QQTINUSMNQUZOH-ACDBMABISA-N 2 0 328.500 3.324 20 0 EGADRP CC[N@@H+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172064569 1384715507 /nfs/dbraw/zinc/71/55/07/1384715507.db2.gz COHTYDVQCZSXFF-MXEMCNAFSA-N 2 0 327.516 3.256 20 0 EGADRP CC1(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)OCCO1 ZINC001172065800 1384716367 /nfs/dbraw/zinc/71/63/67/1384716367.db2.gz RCWKVBAKEIFWOM-OWZKRDHZSA-N 2 0 344.499 3.315 20 0 EGADRP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084329 1384722582 /nfs/dbraw/zinc/72/25/82/1384722582.db2.gz WOWLBPUSYBSPEE-WRTQPQOASA-N 2 0 326.484 3.293 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccn3)CCOCC1)C2 ZINC001172110145 1384729598 /nfs/dbraw/zinc/72/95/98/1384729598.db2.gz IEVGNHQCMTYOKW-OWZKRDHZSA-N 2 0 343.515 3.026 20 0 EGADRP COC(=O)c1ccc2c(c1)c(C[NH3+])cn2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116284 1384732331 /nfs/dbraw/zinc/73/23/31/1384732331.db2.gz GQWCOAOEYDNYRM-BJWYYQGGSA-N 2 0 341.455 3.074 20 0 EGADRP Cc1ncc(Br)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117110 1384732402 /nfs/dbraw/zinc/73/24/02/1384732402.db2.gz KIYAEIAYUDYUSL-MUJYYYPQSA-N 2 0 338.293 3.257 20 0 EGADRP COc1cc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc(OC)c1OC ZINC001172125028 1384735951 /nfs/dbraw/zinc/73/59/51/1384735951.db2.gz NUGOPXZGJLMCNB-FVQHAEBGSA-N 2 0 348.487 3.160 20 0 EGADRP Cc1cccc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172132817 1384737279 /nfs/dbraw/zinc/73/72/79/1384737279.db2.gz OLUAQFSAMGAVPU-RDGPPVDQSA-N 2 0 329.488 3.249 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[NH+](C)CC2)C[C@@H]1C ZINC001172357351 1384776910 /nfs/dbraw/zinc/77/69/10/1384776910.db2.gz CQQDEJPMVJZGAT-LVCYWYKZSA-N 2 0 329.532 3.348 20 0 EGADRP CC[C@@H](CC(C)C)[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001172398073 1384783856 /nfs/dbraw/zinc/78/38/56/1384783856.db2.gz NPHGKGYGKFYCIF-SFHVURJKSA-N 2 0 348.535 3.116 20 0 EGADRP CC(C)COCC[C@@H](C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172469845 1384799743 /nfs/dbraw/zinc/79/97/43/1384799743.db2.gz VGAQFDIXIYTEOD-LJQANCHMSA-N 2 0 340.552 3.262 20 0 EGADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)O1 ZINC001172541178 1384809928 /nfs/dbraw/zinc/80/99/28/1384809928.db2.gz UXPNISWNGDRRAC-USYVTKNRSA-N 2 0 332.488 3.027 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001172606724 1384817760 /nfs/dbraw/zinc/81/77/60/1384817760.db2.gz VGFXKWHJXLNUMW-OALUTQOASA-N 2 0 336.520 3.210 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172632870 1384823682 /nfs/dbraw/zinc/82/36/82/1384823682.db2.gz KCJPAIWMGKQJDS-QFBILLFUSA-N 2 0 336.520 3.447 20 0 EGADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662987 1384829432 /nfs/dbraw/zinc/82/94/32/1384829432.db2.gz FPYFQVKVQDGIHN-GOSISDBHSA-N 2 0 343.515 3.158 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001172781397 1384850875 /nfs/dbraw/zinc/85/08/75/1384850875.db2.gz WYWOOCZWRLOTDE-YJBOKZPZSA-N 2 0 348.462 3.197 20 0 EGADRP C[C@H](CSc1ccc(Cl)cc1)N(CCC[NH3+])CCC[NH+](C)C ZINC001172881381 1384871607 /nfs/dbraw/zinc/87/16/07/1384871607.db2.gz DVWYJHPHAFLKEZ-OAHLLOKOSA-N 2 0 343.968 3.423 20 0 EGADRP CO[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001172939514 1384883885 /nfs/dbraw/zinc/88/38/85/1384883885.db2.gz RDIAIEASTGEIFN-PLACYPQZSA-N 2 0 328.500 3.316 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944525 1384885601 /nfs/dbraw/zinc/88/56/01/1384885601.db2.gz VNMWDPLHKXCLJH-MRXNPFEDSA-N 2 0 329.529 3.344 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]CCCCCCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173052205 1384901814 /nfs/dbraw/zinc/90/18/14/1384901814.db2.gz DLSCDVCJDLCAHF-HOTGVXAUSA-N 2 0 327.513 3.273 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054901 1384902982 /nfs/dbraw/zinc/90/29/82/1384902982.db2.gz QNUBXIGVAPDXBZ-DLBZAZTESA-N 2 0 341.540 3.486 20 0 EGADRP CCCOC1CCC([NH+]2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001173093632 1384912575 /nfs/dbraw/zinc/91/25/75/1384912575.db2.gz JXJGHJPZJVIQOQ-UHFFFAOYSA-N 2 0 331.504 3.155 20 0 EGADRP CCC(CC)C(=O)N1CC[C@@H]([NH2+]C2CCC([NH+](CC)CC)CC2)C1 ZINC001173107609 1384916108 /nfs/dbraw/zinc/91/61/08/1384916108.db2.gz YXJDLAIFUSIAGY-JLAWEPINSA-N 2 0 337.552 3.266 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CC(=O)OC)c2ccc(O)cc2)CC1 ZINC001173108162 1384916528 /nfs/dbraw/zinc/91/65/28/1384916528.db2.gz ZIDIMWYGBOBSNT-TVPLGVNVSA-N 2 0 348.487 3.239 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CO)c2cccc(COC)c2)CC1 ZINC001173111181 1384916792 /nfs/dbraw/zinc/91/67/92/1384916792.db2.gz YOFOXEPQMYXDGO-MHJFOBGBSA-N 2 0 334.504 3.109 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3ccc(OC)cn3)C2)CC1 ZINC001173113851 1384917805 /nfs/dbraw/zinc/91/78/05/1384917805.db2.gz MYLRSEURXUWHMA-TVPLGVNVSA-N 2 0 347.503 3.196 20 0 EGADRP CC[NH+](CC)C1CCC(N(c2ccccn2)C2CC[NH2+]CC2)CC1 ZINC001173113975 1384917905 /nfs/dbraw/zinc/91/79/05/1384917905.db2.gz QKHSLVGRXKZPEL-UHFFFAOYSA-N 2 0 330.520 3.293 20 0 EGADRP [NH3+]C1(Cc2ccccc2)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173127369 1384919707 /nfs/dbraw/zinc/91/97/07/1384919707.db2.gz YXNAECVVDYMGTB-INIZCTEOSA-N 2 0 327.497 3.036 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173608493 1384987213 /nfs/dbraw/zinc/98/72/13/1384987213.db2.gz UDDXCJNPVXQPOG-YORIJRMUSA-N 2 0 348.531 3.480 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173619402 1384990276 /nfs/dbraw/zinc/99/02/76/1384990276.db2.gz ARSBBXCXTBEQDA-AQNXPRMDSA-N 2 0 344.499 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317343510 1385094807 /nfs/dbraw/zinc/09/48/07/1385094807.db2.gz LYANSKGPHKPHBQ-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H](CCNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001317404567 1385117956 /nfs/dbraw/zinc/11/79/56/1385117956.db2.gz XCRRJALWIFDYCR-BEFAXECRSA-N 2 0 349.494 3.029 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650191 1385130223 /nfs/dbraw/zinc/13/02/23/1385130223.db2.gz OTAJIPKDERTEMC-DKFQHHCZSA-N 2 0 337.552 3.482 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)C1 ZINC001174881942 1385164661 /nfs/dbraw/zinc/16/46/61/1385164661.db2.gz MTAPYEWUZWBZDU-RTBURBONSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928933 1385171295 /nfs/dbraw/zinc/17/12/95/1385171295.db2.gz NDCDIMPZPCLEIA-HOTGVXAUSA-N 2 0 337.508 3.266 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCC[NH+](C)C ZINC001174947763 1385173262 /nfs/dbraw/zinc/17/32/62/1385173262.db2.gz DZZMYLXHSUNURJ-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(C)c(C)c1 ZINC001317478387 1385174049 /nfs/dbraw/zinc/17/40/49/1385174049.db2.gz IRJMGLBSODMFCE-FQEVSTJZSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H]([NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c1ccccc1 ZINC001175047648 1385186112 /nfs/dbraw/zinc/18/61/12/1385186112.db2.gz ABWJAXXAYRLOKD-MJGOQNOKSA-N 2 0 333.520 3.354 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)[NH+](CC)CC ZINC001175217736 1385223100 /nfs/dbraw/zinc/22/31/00/1385223100.db2.gz JLSYUVWPRLHZDH-NLNHSMHESA-N 2 0 331.932 3.124 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001317513852 1385227430 /nfs/dbraw/zinc/22/74/30/1385227430.db2.gz ZQEPHTCXPKFGNJ-ICSRJNTNSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262404 1385233112 /nfs/dbraw/zinc/23/31/12/1385233112.db2.gz GFRGISPVBUQRAV-QZTJIDSGSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)CCCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC001335943033 1388972148 /nfs/dbraw/zinc/97/21/48/1388972148.db2.gz VJYHBXWIMBPEQE-INIZCTEOSA-N 2 0 343.309 3.194 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175565397 1385333189 /nfs/dbraw/zinc/33/31/89/1385333189.db2.gz KKAUDJSTOZWGPJ-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175564732 1385333316 /nfs/dbraw/zinc/33/33/16/1385333316.db2.gz DOWZYDRQIIAMCV-RTBURBONSA-N 2 0 337.552 3.482 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175571555 1385335110 /nfs/dbraw/zinc/33/51/10/1385335110.db2.gz CBXHUODYIRHVOP-MSOLQXFVSA-N 2 0 325.541 3.314 20 0 EGADRP C[NH+]1CCC(COc2ccc(F)cc2NC2=CCC[N@H+](C)C2)CC1 ZINC001175582868 1385339266 /nfs/dbraw/zinc/33/92/66/1385339266.db2.gz OEXXUWNKJULGAK-UHFFFAOYSA-N 2 0 333.451 3.178 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001317645798 1385370863 /nfs/dbraw/zinc/37/08/63/1385370863.db2.gz DUTHJXBOGQIVND-INIZCTEOSA-N 2 0 349.494 3.055 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(C)C ZINC001175738165 1385390144 /nfs/dbraw/zinc/39/01/44/1385390144.db2.gz GVUFOHINBGCOMA-SFHVURJKSA-N 2 0 327.557 3.419 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1)C(C)C ZINC001175747210 1385394630 /nfs/dbraw/zinc/39/46/30/1385394630.db2.gz OSAJFHFWYDJIHZ-MJGOQNOKSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1)C(C)C ZINC001175747854 1385394692 /nfs/dbraw/zinc/39/46/92/1385394692.db2.gz UZIOQEFUGIEVAG-MJGOQNOKSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1)C(C)C ZINC001175747853 1385394966 /nfs/dbraw/zinc/39/49/66/1385394966.db2.gz UZIOQEFUGIEVAG-IEBWSBKVSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335986007 1388983191 /nfs/dbraw/zinc/98/31/91/1388983191.db2.gz IDTWXLGVXWAQLQ-XJKSGUPXSA-N 2 0 344.421 3.449 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967885 1385447635 /nfs/dbraw/zinc/44/76/35/1385447635.db2.gz OVLLORLUYBMILP-MSOLQXFVSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3ccc(C[NH3+])cc3)cc2F)CC1 ZINC001175968979 1385448200 /nfs/dbraw/zinc/44/82/00/1385448200.db2.gz SCQMFNPBAVCYIY-UHFFFAOYSA-N 2 0 328.435 3.170 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176111093 1385487041 /nfs/dbraw/zinc/48/70/41/1385487041.db2.gz FWGJCXDKQHERRE-YLJYHZDGSA-N 2 0 333.520 3.136 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176112346 1385487873 /nfs/dbraw/zinc/48/78/73/1385487873.db2.gz PZQKAOPUZIEDGJ-DYESRHJHSA-N 2 0 345.531 3.138 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)c1ccccc1 ZINC001176120511 1385489842 /nfs/dbraw/zinc/48/98/42/1385489842.db2.gz RGHPIALKNHGUHE-PXNSSMCTSA-N 2 0 345.531 3.354 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165400 1385500973 /nfs/dbraw/zinc/50/09/73/1385500973.db2.gz KPELKDJVZWAFJY-AEFFLSMTSA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+]1CCC(n2cc(Nc3cccc(C[NH+]4CCCC4)c3)cn2)CC1 ZINC001176196353 1385509763 /nfs/dbraw/zinc/50/97/63/1385509763.db2.gz WADRGEDZDLREOD-UHFFFAOYSA-N 2 0 339.487 3.489 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001176228001 1385519693 /nfs/dbraw/zinc/51/96/93/1385519693.db2.gz VFKJWOJQWBQKEC-UHFFFAOYSA-N 2 0 343.471 3.311 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CCCC[NH+](C)C ZINC001176230425 1385520952 /nfs/dbraw/zinc/52/09/52/1385520952.db2.gz IPNIIXRCTFWXJE-INIZCTEOSA-N 2 0 339.549 3.245 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176269612 1385533264 /nfs/dbraw/zinc/53/32/64/1385533264.db2.gz WKEQHZRQGSXMIV-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176279902 1385537012 /nfs/dbraw/zinc/53/70/12/1385537012.db2.gz TWFGCMIIDMKTOG-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176279903 1385537181 /nfs/dbraw/zinc/53/71/81/1385537181.db2.gz TWFGCMIIDMKTOG-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176284402 1385539044 /nfs/dbraw/zinc/53/90/44/1385539044.db2.gz FXQUFPYBCGIHCI-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001317955188 1385585518 /nfs/dbraw/zinc/58/55/18/1385585518.db2.gz HOBCYOYZNDCQSJ-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565102 1385626838 /nfs/dbraw/zinc/62/68/38/1385626838.db2.gz SKHWUQUYIPOQGJ-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001176582525 1385631768 /nfs/dbraw/zinc/63/17/68/1385631768.db2.gz HBOILMQUIHYUJB-GOSISDBHSA-N 2 0 335.536 3.237 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH+](CC)CC)CC2)o1 ZINC001318339878 1385655377 /nfs/dbraw/zinc/65/53/77/1385655377.db2.gz DPYOWQFDILWXCS-UHFFFAOYSA-N 2 0 335.492 3.068 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001176752934 1385683489 /nfs/dbraw/zinc/68/34/89/1385683489.db2.gz BFUIZGZGCOJFJL-IBGZPJMESA-N 2 0 347.547 3.408 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176753949 1385684043 /nfs/dbraw/zinc/68/40/43/1385684043.db2.gz OROSAOCMCXVWEB-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001176754678 1385684708 /nfs/dbraw/zinc/68/47/08/1385684708.db2.gz XYVVMSRIQUJTEZ-CSTAJBCFSA-N 2 0 343.943 3.124 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001176855863 1385724972 /nfs/dbraw/zinc/72/49/72/1385724972.db2.gz DZPGVWNSOKGNFT-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001176856778 1385724992 /nfs/dbraw/zinc/72/49/92/1385724992.db2.gz NRZAMTFIHDDBMX-CCGSVPMNSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001176972041 1385760424 /nfs/dbraw/zinc/76/04/24/1385760424.db2.gz LSFFRBGFWBZOOC-UHFFFAOYSA-N 2 0 345.531 3.280 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001176986835 1385764780 /nfs/dbraw/zinc/76/47/80/1385764780.db2.gz WYXLYBJRBFXKCA-HKUYNNGSSA-N 2 0 331.504 3.026 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001176991409 1385766269 /nfs/dbraw/zinc/76/62/69/1385766269.db2.gz ATKISXPVWLHHDL-PMACEKPBSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001176996779 1385768399 /nfs/dbraw/zinc/76/83/99/1385768399.db2.gz CXDQXHWVWGGDPV-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001318975532 1385903971 /nfs/dbraw/zinc/90/39/71/1385903971.db2.gz ISRRGFUDFWUNSE-JPLJXNOCSA-N 2 0 345.531 3.413 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177335586 1385917623 /nfs/dbraw/zinc/91/76/23/1385917623.db2.gz HBGXVELRJJKNRT-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177348872 1385924350 /nfs/dbraw/zinc/92/43/50/1385924350.db2.gz PESWQZSLOGQWOL-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N(CCC[NH2+]CC(C)C)CC1CCCC1 ZINC001177353068 1385925768 /nfs/dbraw/zinc/92/57/68/1385925768.db2.gz SAEROLLALPVIIO-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001177357051 1385928043 /nfs/dbraw/zinc/92/80/43/1385928043.db2.gz UIXSKRQARPKZQT-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001177472471 1385969424 /nfs/dbraw/zinc/96/94/24/1385969424.db2.gz BRQGHSDBBKGTFX-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001177488879 1385975650 /nfs/dbraw/zinc/97/56/50/1385975650.db2.gz NQTHSUFAUZLQJE-UHFFFAOYSA-N 2 0 337.552 3.291 20 0 EGADRP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488763 1385975695 /nfs/dbraw/zinc/97/56/95/1385975695.db2.gz LLYBUNRFMXEBOT-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCC1 ZINC001319377169 1386090296 /nfs/dbraw/zinc/09/02/96/1386090296.db2.gz KBPMRXJJCAMZQK-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CCCC1 ZINC001319385901 1386096417 /nfs/dbraw/zinc/09/64/17/1386096417.db2.gz DOHVQLDTSGIBDJ-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001178045822 1386115701 /nfs/dbraw/zinc/11/57/01/1386115701.db2.gz WPFFROGXJDRIOA-IBGZPJMESA-N 2 0 335.536 3.237 20 0 EGADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001319478797 1386139619 /nfs/dbraw/zinc/13/96/19/1386139619.db2.gz VTGNOYSRIGBACI-WMLDXEAASA-N 2 0 347.528 3.178 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC001178291537 1386181825 /nfs/dbraw/zinc/18/18/25/1386181825.db2.gz YLZLXOSEANPNNG-SFHVURJKSA-N 2 0 330.497 3.303 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178468224 1386226590 /nfs/dbraw/zinc/22/65/90/1386226590.db2.gz PXYLAURXPAGTAP-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)(C(=O)NCCCCCC[NH2+]C/C=C\Cl)[NH+]1CCCCC1 ZINC001178491177 1386234042 /nfs/dbraw/zinc/23/40/42/1386234042.db2.gz XQPUZPNBLFEPIC-KHPPLWFESA-N 2 0 343.943 3.270 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC001178523060 1386240717 /nfs/dbraw/zinc/24/07/17/1386240717.db2.gz SSSKHBMFKMJWKK-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178522583 1386240843 /nfs/dbraw/zinc/24/08/43/1386240843.db2.gz MSXGGPLRHRNORB-QZTJIDSGSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC2CC(C)C2)CC[N@@H+]1C ZINC001178528273 1386242051 /nfs/dbraw/zinc/24/20/51/1386242051.db2.gz URDVKUHORIFWBF-WZOJCFFYSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178692802 1386279073 /nfs/dbraw/zinc/27/90/73/1386279073.db2.gz BPNFJOHVVXLKLB-PXAMLJHWSA-N 2 0 343.943 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178692804 1386279133 /nfs/dbraw/zinc/27/91/33/1386279133.db2.gz BPNFJOHVVXLKLB-SYJIQKIWSA-N 2 0 343.943 3.268 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001178693507 1386279748 /nfs/dbraw/zinc/27/97/48/1386279748.db2.gz UQNOGHPKWJARQM-ZWKOTPCHSA-N 2 0 343.531 3.264 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698647 1386281727 /nfs/dbraw/zinc/28/17/27/1386281727.db2.gz PRKFPIUHNAEQQY-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001178698719 1386281831 /nfs/dbraw/zinc/28/18/31/1386281831.db2.gz RTWQYSKFWQGPLE-PXNSSMCTSA-N 2 0 345.531 3.354 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178759397 1386295939 /nfs/dbraw/zinc/29/59/39/1386295939.db2.gz JHFDNYXOTBOYQW-ZEVQVBBLSA-N 2 0 325.541 3.195 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001319828139 1386321376 /nfs/dbraw/zinc/32/13/76/1386321376.db2.gz UBOHRDHUUJCFQB-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001178832791 1386321966 /nfs/dbraw/zinc/32/19/66/1386321966.db2.gz KZXFVQLQAZNLLG-QUCCMNQESA-N 2 0 345.531 3.498 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001178853955 1386329401 /nfs/dbraw/zinc/32/94/01/1386329401.db2.gz QONPFCVZFKXWLZ-HJWRWDBZSA-N 2 0 325.541 3.339 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178891387 1386340407 /nfs/dbraw/zinc/34/04/07/1386340407.db2.gz QYHXIROUWSHHMZ-UHOSZYNNSA-N 2 0 337.552 3.265 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178943013 1386356698 /nfs/dbraw/zinc/35/66/98/1386356698.db2.gz DDZPKJMQDAMPOC-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c1 ZINC001319917132 1386389132 /nfs/dbraw/zinc/38/91/32/1386389132.db2.gz JVMCRAJYWGIALL-PXNSSMCTSA-N 2 0 345.531 3.271 20 0 EGADRP CC(C)(C(=O)NCCCCCC[NH2+]Cc1ccccc1)[NH+]1CCCC1 ZINC001179212076 1386424593 /nfs/dbraw/zinc/42/45/93/1386424593.db2.gz CIAKSTYOXAEHPT-UHFFFAOYSA-N 2 0 345.531 3.327 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239066 1386429240 /nfs/dbraw/zinc/42/92/40/1386429240.db2.gz PAYQRZCJPMSYBS-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001320041234 1386469641 /nfs/dbraw/zinc/46/96/41/1386469641.db2.gz AXKOHJNWYSNZIG-UYAOXDASSA-N 2 0 347.547 3.341 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461143 1386487064 /nfs/dbraw/zinc/48/70/64/1386487064.db2.gz CCCQUGXBRPDKNR-GOSISDBHSA-N 2 0 333.520 3.274 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001179463293 1386487931 /nfs/dbraw/zinc/48/79/31/1386487931.db2.gz BGOIRKRXAYNQEG-RLLQIKCJSA-N 2 0 349.563 3.031 20 0 EGADRP CC[C@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001179463700 1386487967 /nfs/dbraw/zinc/48/79/67/1386487967.db2.gz HZBDXYFORHQLJO-IBGZPJMESA-N 2 0 333.520 3.356 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)CC[NH+](C)C)cc1C ZINC001179464417 1386488616 /nfs/dbraw/zinc/48/86/16/1386488616.db2.gz VCWNEXAJPCJJMS-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179585484 1386524114 /nfs/dbraw/zinc/52/41/14/1386524114.db2.gz IXOMHXIWGBSBOD-LXORQPIJSA-N 2 0 337.552 3.197 20 0 EGADRP CCc1ccc(C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001179609295 1386530124 /nfs/dbraw/zinc/53/01/24/1386530124.db2.gz NCIBWLRPNCHYAT-FQEVSTJZSA-N 2 0 347.547 3.355 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001179609471 1386531345 /nfs/dbraw/zinc/53/13/45/1386531345.db2.gz QLCPCWZMKGPTDM-IBGZPJMESA-N 2 0 333.520 3.101 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652002 1386540709 /nfs/dbraw/zinc/54/07/09/1386540709.db2.gz KFPMFNWRXWSKME-LNLFQRSKSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001179745754 1386570113 /nfs/dbraw/zinc/57/01/13/1386570113.db2.gz GPEIERQLPWOIIW-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788143 1386585658 /nfs/dbraw/zinc/58/56/58/1386585658.db2.gz OERLNLRHYRRRQN-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC001320364967 1386588949 /nfs/dbraw/zinc/58/89/49/1386588949.db2.gz SQEPMURKFLRPHR-HOTGVXAUSA-N 2 0 341.499 3.355 20 0 EGADRP CC[NH2+]C[C@@]1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC[C@@H]1C ZINC001698659002 1406309217 /nfs/dbraw/zinc/30/92/17/1406309217.db2.gz BQNZQDLXIKNGAK-JXFKEZNVSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)CC1 ZINC001179965322 1386651400 /nfs/dbraw/zinc/65/14/00/1386651400.db2.gz YDMXSVAHCFPFJB-QGZVFWFLSA-N 2 0 343.531 3.121 20 0 EGADRP CCc1ccc(C[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC)cc1 ZINC001179988934 1386659700 /nfs/dbraw/zinc/65/97/00/1386659700.db2.gz QGYRXHXWVJPUAE-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC ZINC001179988938 1386659876 /nfs/dbraw/zinc/65/98/76/1386659876.db2.gz QLGOEUGNOZYSPT-BQYQJAHWSA-N 2 0 325.541 3.341 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001180060694 1386684065 /nfs/dbraw/zinc/68/40/65/1386684065.db2.gz LROGZBFFDCKZAG-HXUWFJFHSA-N 2 0 345.531 3.103 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CCCCC1)C12CC[NH+](CC1)C2 ZINC001180068792 1386686811 /nfs/dbraw/zinc/68/68/11/1386686811.db2.gz OVDUBSRIOSKPGE-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180118095 1386702713 /nfs/dbraw/zinc/70/27/13/1386702713.db2.gz UXXQAHVFPISEEE-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001180270196 1386751133 /nfs/dbraw/zinc/75/11/33/1386751133.db2.gz JJAISJGLTZZRMT-JLHYYAGUSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC001180278890 1386753502 /nfs/dbraw/zinc/75/35/02/1386753502.db2.gz SIKLMCVTQZABOU-KRWDZBQOSA-N 2 0 349.494 3.249 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001180369826 1386776672 /nfs/dbraw/zinc/77/66/72/1386776672.db2.gz ZRUPDANYEWOROX-UHFFFAOYSA-N 2 0 347.547 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001180372930 1386777435 /nfs/dbraw/zinc/77/74/35/1386777435.db2.gz OJUFWQSVSCMKDD-GOSISDBHSA-N 2 0 343.531 3.267 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c(C)o1 ZINC001321282511 1386866079 /nfs/dbraw/zinc/86/60/79/1386866079.db2.gz JXVKNLUFCLICSH-KRWDZBQOSA-N 2 0 341.499 3.495 20 0 EGADRP C[C@H](CNC(=O)CC[N@H+](C)Cc1ccccc1)CC(C)(C)CC[NH3+] ZINC001181141963 1386944874 /nfs/dbraw/zinc/94/48/74/1386944874.db2.gz JPZXTPNIGKJJQM-KRWDZBQOSA-N 2 0 333.520 3.026 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518701 1387008714 /nfs/dbraw/zinc/00/87/14/1387008714.db2.gz ZHZIFESQACAFMW-YEIUDEFDSA-N 2 0 349.563 3.147 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001182401748 1387160969 /nfs/dbraw/zinc/16/09/69/1387160969.db2.gz MRAODSJZTRHBFE-JXXFODFXSA-N 2 0 349.519 3.075 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001322338958 1387163426 /nfs/dbraw/zinc/16/34/26/1387163426.db2.gz PKQVUAXEGDTLJC-QUCCMNQESA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3CC3CC3)cc2)CC1 ZINC001182554356 1387185888 /nfs/dbraw/zinc/18/58/88/1387185888.db2.gz FXTQUAWOAOKORL-FQEVSTJZSA-N 2 0 341.499 3.309 20 0 EGADRP CC[C@@H](C(=O)N1CCC(CC[NH2+][C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001698703805 1406345570 /nfs/dbraw/zinc/34/55/70/1406345570.db2.gz UAWYONBBQTVOKB-XLIONFOSSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623087 1387198460 /nfs/dbraw/zinc/19/84/60/1387198460.db2.gz AVWWGPASBYLHEF-YLJYHZDGSA-N 2 0 337.552 3.005 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634608 1387216971 /nfs/dbraw/zinc/21/69/71/1387216971.db2.gz VIEGMPPRWDCUHI-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001182953904 1387250481 /nfs/dbraw/zinc/25/04/81/1387250481.db2.gz LPEXSWCQEAFMAE-MRXNPFEDSA-N 2 0 337.533 3.050 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001182973352 1387252215 /nfs/dbraw/zinc/25/22/15/1387252215.db2.gz HIZBFINHPZYKLF-JTGQJZMRSA-N 2 0 349.544 3.360 20 0 EGADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001336287256 1389059605 /nfs/dbraw/zinc/05/96/05/1389059605.db2.gz ZQOQIKPMGICEPU-UHFFFAOYSA-N 2 0 326.488 3.200 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc4cc[nH]c4c3)c2)CC1 ZINC001329709785 1389205366 /nfs/dbraw/zinc/20/53/66/1389205366.db2.gz DJWSOSZSAPSDFA-UHFFFAOYSA-N 2 0 348.494 3.205 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CC(C)C1 ZINC001329936042 1389264949 /nfs/dbraw/zinc/26/49/49/1389264949.db2.gz IVWRWRJLYZJXRU-CTWPCTMYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001698726397 1406376946 /nfs/dbraw/zinc/37/69/46/1406376946.db2.gz PRSMVZLTFWKOKE-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC001338004586 1389513712 /nfs/dbraw/zinc/51/37/12/1389513712.db2.gz TUPCZTYDQZYKPV-HXUWFJFHSA-N 2 0 345.531 3.409 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(CN(C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001330975989 1389583663 /nfs/dbraw/zinc/58/36/63/1389583663.db2.gz JFZOXLNMWMHYHV-CYBMUJFWSA-N 2 0 337.895 3.366 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001331031748 1389603568 /nfs/dbraw/zinc/60/35/68/1389603568.db2.gz ZHYZLBMBELSFHV-IEBWSBKVSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001338450143 1389686186 /nfs/dbraw/zinc/68/61/86/1389686186.db2.gz XPRKXCGWFMSXLV-HNNXBMFYSA-N 2 0 335.467 3.317 20 0 EGADRP COc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC(F)F ZINC001332360907 1390096490 /nfs/dbraw/zinc/09/64/90/1390096490.db2.gz WMFHZZCYDFVEPP-UHFFFAOYSA-N 2 0 340.414 3.262 20 0 EGADRP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332425320 1390113889 /nfs/dbraw/zinc/11/38/89/1390113889.db2.gz ZHPXAYDRFBOKBH-HNNXBMFYSA-N 2 0 347.528 3.201 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC001332882320 1390208196 /nfs/dbraw/zinc/20/81/96/1390208196.db2.gz XALOHPDASMDRJM-NSBMPJFYSA-N 2 0 340.511 3.444 20 0 EGADRP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC001340156268 1390238527 /nfs/dbraw/zinc/23/85/27/1390238527.db2.gz ZRFZMJXREXVMJQ-KZNAEPCWSA-N 2 0 343.515 3.065 20 0 EGADRP CC(C)(C[NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001333301335 1390279586 /nfs/dbraw/zinc/27/95/86/1390279586.db2.gz XMDHJDRHMFQTDY-UHFFFAOYSA-N 2 0 343.393 3.225 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001698777496 1406442713 /nfs/dbraw/zinc/44/27/13/1406442713.db2.gz ZDKGWKLUOJAGTF-MOPGFXCFSA-N 2 0 345.531 3.130 20 0 EGADRP CCCN(C(=O)CC[NH2+]C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001341520065 1390497393 /nfs/dbraw/zinc/49/73/93/1390497393.db2.gz BLUNTCDRJKYTJT-UHFFFAOYSA-N 2 0 345.531 3.278 20 0 EGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001341620509 1390511030 /nfs/dbraw/zinc/51/10/30/1390511030.db2.gz YMHJRDMAQSHBQZ-AHRSYUTCSA-N 2 0 347.547 3.211 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(C)c1OC ZINC001334355198 1390523960 /nfs/dbraw/zinc/52/39/60/1390523960.db2.gz AMHSTIMPSJPRJQ-BZSNNMDCSA-N 2 0 332.488 3.174 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c2c(n1)CCCC2 ZINC001335583159 1390706192 /nfs/dbraw/zinc/70/61/92/1390706192.db2.gz PTRWGLAEBJGDFV-SCTDSRPQSA-N 2 0 327.516 3.431 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001343540286 1390721347 /nfs/dbraw/zinc/72/13/47/1390721347.db2.gz AWKANIMZOZKWQP-IBGZPJMESA-N 2 0 341.499 3.043 20 0 EGADRP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)(C)C ZINC001344335837 1390784112 /nfs/dbraw/zinc/78/41/12/1390784112.db2.gz RDBHMWJSSHLSHQ-UHFFFAOYSA-N 2 0 349.544 3.294 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001698809440 1406495472 /nfs/dbraw/zinc/49/54/72/1406495472.db2.gz MCNZCLKUCLPTAL-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001353899265 1392106501 /nfs/dbraw/zinc/10/65/01/1392106501.db2.gz JHEXSEACFSBESX-QWRGUYRKSA-N 2 0 336.329 3.249 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC001698848839 1406551277 /nfs/dbraw/zinc/55/12/77/1406551277.db2.gz QWIOQMQICVRDNO-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC001479963964 1392498670 /nfs/dbraw/zinc/49/86/70/1392498670.db2.gz ICYBULGFDWHKKU-MOPGFXCFSA-N 2 0 345.531 3.015 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001698860893 1406570461 /nfs/dbraw/zinc/57/04/61/1406570461.db2.gz QKWOXQDZXROLLH-RBUKOAKNSA-N 2 0 345.531 3.450 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480087957 1392578025 /nfs/dbraw/zinc/57/80/25/1392578025.db2.gz CMSZJCABLRUVCH-VXOKQSJXSA-N 2 0 337.552 3.099 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001480739535 1392905174 /nfs/dbraw/zinc/90/51/74/1392905174.db2.gz QXNWYYDEJCCHKO-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001480772225 1392924105 /nfs/dbraw/zinc/92/41/05/1392924105.db2.gz CEVZLNPRCUGBBC-JXFKEZNVSA-N 2 0 343.515 3.033 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001480903968 1393009455 /nfs/dbraw/zinc/00/94/55/1393009455.db2.gz CCUAOAWDWCPZPV-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480920790 1393020734 /nfs/dbraw/zinc/02/07/34/1393020734.db2.gz XIKWNSVYAOLQEY-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CC(C)C1 ZINC001481136927 1393130219 /nfs/dbraw/zinc/13/02/19/1393130219.db2.gz VFRYAZJWEQWUMY-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481405631 1394258076 /nfs/dbraw/zinc/25/80/76/1394258076.db2.gz KOIYMVZUXRVCNJ-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001490666934 1394290483 /nfs/dbraw/zinc/29/04/83/1394290483.db2.gz BXMNSMCHCNJYNO-APWZRJJASA-N 2 0 343.515 3.025 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001490897900 1394369660 /nfs/dbraw/zinc/36/96/60/1394369660.db2.gz SHPIAGSBJYXUJS-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001491112964 1394433338 /nfs/dbraw/zinc/43/33/38/1394433338.db2.gz ATLPGNRPPFLZMQ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001491170381 1394457269 /nfs/dbraw/zinc/45/72/69/1394457269.db2.gz NOGXLKZCUUYYAX-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001481840290 1394553839 /nfs/dbraw/zinc/55/38/39/1394553839.db2.gz DYEOOUPOEMHTEN-ICSRJNTNSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1)[NH+](C)C ZINC001482407489 1394971199 /nfs/dbraw/zinc/97/11/99/1394971199.db2.gz YYFJJWSKXYQFHR-MOPGFXCFSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCCC2)CC1 ZINC001482410572 1394975217 /nfs/dbraw/zinc/97/52/17/1394975217.db2.gz MULKAKTUYWTIIG-HXUWFJFHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@@H](C)C1 ZINC001482433914 1394994057 /nfs/dbraw/zinc/99/40/57/1394994057.db2.gz MBNDCOUGBXSUFR-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001482483065 1395037281 /nfs/dbraw/zinc/03/72/81/1395037281.db2.gz OHNLWMIETAOSSK-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001482564726 1395091069 /nfs/dbraw/zinc/09/10/69/1395091069.db2.gz BERVHGBWCKGXAI-PMACEKPBSA-N 2 0 347.547 3.120 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@]2(CC[NH+](C(C)C)C2)C1)c1ccccc1 ZINC001483848469 1395115536 /nfs/dbraw/zinc/11/55/36/1395115536.db2.gz UUXKLBZFKXIJMV-FPOVZHCZSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001485239236 1395732115 /nfs/dbraw/zinc/73/21/15/1395732115.db2.gz GFPSXQXVTFAIOE-ABHNRTSZSA-N 2 0 339.568 3.368 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001698994691 1406790075 /nfs/dbraw/zinc/79/00/75/1406790075.db2.gz PGYSGOJSTRDYEM-UHFFFAOYSA-N 2 0 345.531 3.042 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cccc(C)c1)[NH+](C)C ZINC001485483849 1395969457 /nfs/dbraw/zinc/96/94/57/1395969457.db2.gz COEMASYVNSHJQL-PMACEKPBSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001485666314 1396094081 /nfs/dbraw/zinc/09/40/81/1396094081.db2.gz JOKWSBDRILDPBE-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH+](C)CCCC(C)(C)C)CC2)C1 ZINC001485763451 1396139497 /nfs/dbraw/zinc/13/94/97/1396139497.db2.gz OIUWQNAEBVMXNB-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185374 1396181284 /nfs/dbraw/zinc/18/12/84/1396181284.db2.gz AIBSYAJTUZDQHY-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001494294193 1396421904 /nfs/dbraw/zinc/42/19/04/1396421904.db2.gz YBOCAHHRFIOJQO-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CC2CC(C)C2)C2CC2)CC1 ZINC001495290894 1396528952 /nfs/dbraw/zinc/52/89/52/1396528952.db2.gz FYWZIIZMTGBLBX-MYKUNDNFSA-N 2 0 349.563 3.027 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001496155782 1396615253 /nfs/dbraw/zinc/61/52/53/1396615253.db2.gz VTGNOYSRIGBACI-YOEHRIQHSA-N 2 0 347.528 3.178 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1ccccc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497296744 1396745405 /nfs/dbraw/zinc/74/54/05/1396745405.db2.gz HACSZWFKRWAYPI-IAGOWNOFSA-N 2 0 349.494 3.103 20 0 EGADRP CN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001690024972 1404263869 /nfs/dbraw/zinc/26/38/69/1404263869.db2.gz YUMMTSNYWZMHSX-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CCCN(C(=O)c1ccc2c[nH+]cn2c1C)C1CC[NH+](C(C)C)CC1 ZINC001690135334 1404332193 /nfs/dbraw/zinc/33/21/93/1404332193.db2.gz IFUFJQKUDIAAFG-UHFFFAOYSA-N 2 0 342.487 3.368 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001690575501 1404637555 /nfs/dbraw/zinc/63/75/55/1404637555.db2.gz VKYAGOKGOJNACG-DLBZAZTESA-N 2 0 331.504 3.106 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001690623172 1404658866 /nfs/dbraw/zinc/65/88/66/1404658866.db2.gz HISKDRMUOOJNAG-XCLFUZPHSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001690650652 1404681836 /nfs/dbraw/zinc/68/18/36/1404681836.db2.gz OPBBXHYUNLFGLV-APWZRJJASA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001690684009 1404689524 /nfs/dbraw/zinc/68/95/24/1404689524.db2.gz HYIZFCRDAXRBKP-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690783208 1404730731 /nfs/dbraw/zinc/73/07/31/1404730731.db2.gz BIRYVPOEWWAHFR-UXHICEINSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001690843026 1404772113 /nfs/dbraw/zinc/77/21/13/1404772113.db2.gz KKTNIWAFBNDSND-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001690872419 1404788068 /nfs/dbraw/zinc/78/80/68/1404788068.db2.gz XLBUELCYYLHONL-SJORKVTESA-N 2 0 349.494 3.103 20 0 EGADRP Cc1c(C(=O)NCC[N@@H+](C)CC2CCCCCC2)ccc2c[nH+]cn21 ZINC001690955560 1404863765 /nfs/dbraw/zinc/86/37/65/1404863765.db2.gz YRGWYEZDUCBSEX-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690970823 1404877485 /nfs/dbraw/zinc/87/74/85/1404877485.db2.gz LMLRXAPRNFXYRX-WMZOPIPTSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cc(C)ccc1C ZINC001691019606 1404933428 /nfs/dbraw/zinc/93/34/28/1404933428.db2.gz BTSBLJPWIJJRKT-FQEVSTJZSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cc(C)ccc1C ZINC001691019607 1404933547 /nfs/dbraw/zinc/93/35/47/1404933547.db2.gz BTSBLJPWIJJRKT-HXUWFJFHSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCCCC1 ZINC001691028553 1404938130 /nfs/dbraw/zinc/93/81/30/1404938130.db2.gz BOJDGZWGKIISDM-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cc1ccc(F)cc1 ZINC001691043199 1404953228 /nfs/dbraw/zinc/95/32/28/1404953228.db2.gz AYLJGTSNUHKJLT-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCCC2)CC1 ZINC001691065890 1404992599 /nfs/dbraw/zinc/99/25/99/1404992599.db2.gz HZVMYJLIHHLPBD-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001691867332 1405588661 /nfs/dbraw/zinc/58/86/61/1405588661.db2.gz RTHZMYAHMHKCEM-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)CCCC2CCC2)CC1)[NH+](C)C ZINC001692022940 1405740493 /nfs/dbraw/zinc/74/04/93/1405740493.db2.gz LPBJPNIYBYEYII-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001692101728 1405771728 /nfs/dbraw/zinc/77/17/28/1405771728.db2.gz MCFOARIWIYFDIX-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001731998163 1428207552 /nfs/dbraw/zinc/20/75/52/1428207552.db2.gz ANDHPZDZNZNHEW-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001698563906 1406164903 /nfs/dbraw/zinc/16/49/03/1406164903.db2.gz RKAUGYDOHYVBJO-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001698599627 1406224813 /nfs/dbraw/zinc/22/48/13/1406224813.db2.gz GATYWKHWWDMVRK-ZWKOTPCHSA-N 2 0 331.504 3.106 20 0 EGADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCCCC1 ZINC001698601641 1406227760 /nfs/dbraw/zinc/22/77/60/1406227760.db2.gz SDGIYTOQTPFFIK-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@H+](CCCC1CCCC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001732079555 1428332467 /nfs/dbraw/zinc/33/24/67/1428332467.db2.gz KTDDLVVASAQJID-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001732101461 1428361714 /nfs/dbraw/zinc/36/17/14/1428361714.db2.gz NPELJNABSFLWRR-MSOLQXFVSA-N 2 0 349.563 3.124 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001732186013 1428434859 /nfs/dbraw/zinc/43/48/59/1428434859.db2.gz QGBGXASFEMSQRG-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001732302417 1428520047 /nfs/dbraw/zinc/52/00/47/1428520047.db2.gz HACVAXZCYIWFDD-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CCCC1 ZINC001732399774 1428565808 /nfs/dbraw/zinc/56/58/08/1428565808.db2.gz PEYSDPFBKOUUNR-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC2(C[NH+](C(C)C)C2)CC1)c1ccccc1 ZINC001732405991 1428569024 /nfs/dbraw/zinc/56/90/24/1428569024.db2.gz XCLARGVPEKLHKO-LJQANCHMSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001732534335 1428655224 /nfs/dbraw/zinc/65/52/24/1428655224.db2.gz XCOGQZTXNLLJKW-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001699429173 1412746140 /nfs/dbraw/zinc/74/61/40/1412746140.db2.gz YMUHNFVOVQJXSF-DLBZAZTESA-N 2 0 341.499 3.337 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699487942 1412884579 /nfs/dbraw/zinc/88/45/79/1412884579.db2.gz WMJHKYBHMSPMJE-WOJBJXKFSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001699579859 1412935530 /nfs/dbraw/zinc/93/55/30/1412935530.db2.gz TXDBQTRENGWQOQ-OXJNMPFZSA-N 2 0 343.515 3.025 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001699736783 1413148108 /nfs/dbraw/zinc/14/81/08/1413148108.db2.gz GJBDQHUIMQDMAN-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001699736789 1413148402 /nfs/dbraw/zinc/14/84/02/1413148402.db2.gz GJBDQHUIMQDMAN-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001732550629 1428732234 /nfs/dbraw/zinc/73/22/34/1428732234.db2.gz XYFUZNXZIOLFRL-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCCCCC1 ZINC001732566622 1428759325 /nfs/dbraw/zinc/75/93/25/1428759325.db2.gz MLAOEEIPOJAFPC-IBGZPJMESA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC1CCC(C)(C)CC1 ZINC001700460443 1414056543 /nfs/dbraw/zinc/05/65/43/1414056543.db2.gz KNTVYQFTJISSQV-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001700555798 1414225762 /nfs/dbraw/zinc/22/57/62/1414225762.db2.gz UDAYBTIWNRQVJO-HNAYVOBHSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001700555796 1414225779 /nfs/dbraw/zinc/22/57/79/1414225779.db2.gz UDAYBTIWNRQVJO-DNVCBOLYSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2F)[C@H]1C ZINC001700891003 1414550322 /nfs/dbraw/zinc/55/03/22/1414550322.db2.gz YGMQLOCFMTYSOZ-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCC1 ZINC001700890976 1414550518 /nfs/dbraw/zinc/55/05/18/1414550518.db2.gz XZLGVLFJWASBHM-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001732628135 1428890900 /nfs/dbraw/zinc/89/09/00/1428890900.db2.gz UCVAZMZNCASMCY-PMACEKPBSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001732754947 1428949361 /nfs/dbraw/zinc/94/93/61/1428949361.db2.gz PVCONWCHTSKBAN-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)c1cccc(Cl)c1 ZINC001713322281 1417947318 /nfs/dbraw/zinc/94/73/18/1417947318.db2.gz JNUFZCXHQNIABN-LSDHHAIUSA-N 2 0 349.906 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001713360957 1417975573 /nfs/dbraw/zinc/97/55/73/1417975573.db2.gz SBLZRZHMBQNUSW-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713377573 1417987837 /nfs/dbraw/zinc/98/78/37/1417987837.db2.gz SKYYQVFBUPJDKT-RBUKOAKNSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001713959580 1418741090 /nfs/dbraw/zinc/74/10/90/1418741090.db2.gz MTWCKQPTURQJPF-UFYCRDLUSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001714071929 1418867143 /nfs/dbraw/zinc/86/71/43/1418867143.db2.gz FBONZCDKGPMPRH-LJQANCHMSA-N 2 0 345.531 3.244 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001714105544 1418904933 /nfs/dbraw/zinc/90/49/33/1418904933.db2.gz ACCXEGFKMLXXDM-XLIONFOSSA-N 2 0 345.531 3.272 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001714118419 1418923279 /nfs/dbraw/zinc/92/32/79/1418923279.db2.gz RJGMTOFVPRXHEJ-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001714142203 1418944285 /nfs/dbraw/zinc/94/42/85/1418944285.db2.gz QOKWDMICARTUSY-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001714218320 1419014617 /nfs/dbraw/zinc/01/46/17/1419014617.db2.gz KKPSCZFEJCIBRJ-SFHVURJKSA-N 2 0 345.531 3.031 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714434160 1419166850 /nfs/dbraw/zinc/16/68/50/1419166850.db2.gz MAVCNXXDROLEPH-AEFFLSMTSA-N 2 0 345.531 3.130 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001714449032 1419181526 /nfs/dbraw/zinc/18/15/26/1419181526.db2.gz XWDJOUBJGBYEES-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001714484654 1419207914 /nfs/dbraw/zinc/20/79/14/1419207914.db2.gz IPGHTJWZWFWORC-JKSUJKDBSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001714536797 1419262708 /nfs/dbraw/zinc/26/27/08/1419262708.db2.gz IEBAQNDQHWQCOY-VQIMIIECSA-N 2 0 331.504 3.013 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001714556510 1419284252 /nfs/dbraw/zinc/28/42/52/1419284252.db2.gz QJPTWPIKDSIWLX-ICSRJNTNSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1 ZINC001714584169 1419325677 /nfs/dbraw/zinc/32/56/77/1419325677.db2.gz PRUKWOOLULNGTJ-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)[C@@H](C)c1ccccc1 ZINC001714587149 1419330398 /nfs/dbraw/zinc/33/03/98/1419330398.db2.gz OGZAMWQTFXEKJD-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001714619431 1419384877 /nfs/dbraw/zinc/38/48/77/1419384877.db2.gz PBYZGAFUIFTVPN-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+]2CCCCC2)cs1 ZINC001714626488 1419396952 /nfs/dbraw/zinc/39/69/52/1419396952.db2.gz WOOMOFWHRUXBML-SFHVURJKSA-N 2 0 349.544 3.013 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001714769688 1419500693 /nfs/dbraw/zinc/50/06/93/1419500693.db2.gz FPCXVDPFPYUCKY-XLIONFOSSA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001714833587 1419544543 /nfs/dbraw/zinc/54/45/43/1419544543.db2.gz SIMQCBJURHWPMM-MOPGFXCFSA-N 2 0 333.520 3.163 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001714879893 1419615646 /nfs/dbraw/zinc/61/56/46/1419615646.db2.gz KCLIYWSEIPBNRF-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP Cc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001715014598 1419742201 /nfs/dbraw/zinc/74/22/01/1419742201.db2.gz ALLABKGDUHKVFR-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715031043 1419763581 /nfs/dbraw/zinc/76/35/81/1419763581.db2.gz MGADQBITNCMJQZ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001715241578 1419970565 /nfs/dbraw/zinc/97/05/65/1419970565.db2.gz VDZMJDUHCIRBAG-HKUYNNGSSA-N 2 0 343.515 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001715457504 1420138327 /nfs/dbraw/zinc/13/83/27/1420138327.db2.gz GRGPVZAVYSQAJS-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001715457432 1420138420 /nfs/dbraw/zinc/13/84/20/1420138420.db2.gz PMKCCKJEQXRYMB-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001715491715 1420173139 /nfs/dbraw/zinc/17/31/39/1420173139.db2.gz UDXSNFIPZNVWAI-RBUKOAKNSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C)c1ccccc1 ZINC001715587000 1420261507 /nfs/dbraw/zinc/26/15/07/1420261507.db2.gz LOUFZWJGLLYUSW-MOPGFXCFSA-N 2 0 345.531 3.352 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001715951004 1420417665 /nfs/dbraw/zinc/41/76/65/1420417665.db2.gz ZNESCOHFYDKUPB-GUXCAODWSA-N 2 0 341.499 3.335 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)CC[N@H+](C)CCCC2CCCC2)CC1 ZINC001715978126 1420438187 /nfs/dbraw/zinc/43/81/87/1420438187.db2.gz RLLXYTRHNSCUPH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001716043382 1420506653 /nfs/dbraw/zinc/50/66/53/1420506653.db2.gz WFDKISNEZPVJNW-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716044325 1420507449 /nfs/dbraw/zinc/50/74/49/1420507449.db2.gz LCICULPPKPIZJK-SJORKVTESA-N 2 0 333.520 3.162 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001716451986 1420667592 /nfs/dbraw/zinc/66/75/92/1420667592.db2.gz LYBGZCJPKJANKB-GRDNDAEWSA-N 2 0 339.911 3.082 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001716764308 1420910535 /nfs/dbraw/zinc/91/05/35/1420910535.db2.gz NACJSLUCQYTTJL-CNLJBLCWSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001716864177 1420993506 /nfs/dbraw/zinc/99/35/06/1420993506.db2.gz BUNLYVHWHMCJHU-DYESRHJHSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001716880529 1421004875 /nfs/dbraw/zinc/00/48/75/1421004875.db2.gz OTGMHKRCBBUPFJ-OXQOHEQNSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001717158899 1421148525 /nfs/dbraw/zinc/14/85/25/1421148525.db2.gz MWMUCSQLMAMBOJ-IBGZPJMESA-N 2 0 343.515 3.078 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001717292100 1421238444 /nfs/dbraw/zinc/23/84/44/1421238444.db2.gz OURYMVSAPIHJSY-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001733290279 1429468980 /nfs/dbraw/zinc/46/89/80/1429468980.db2.gz JGDGZVAYCSUAQR-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717375238 1421316982 /nfs/dbraw/zinc/31/69/82/1421316982.db2.gz ZZTWSLBXSBDOPQ-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479147 1421413467 /nfs/dbraw/zinc/41/34/67/1421413467.db2.gz IJZCXKUXIABXRG-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001733300637 1429484416 /nfs/dbraw/zinc/48/44/16/1429484416.db2.gz QFGOMHXQBQWVIU-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001717705019 1421578938 /nfs/dbraw/zinc/57/89/38/1421578938.db2.gz CCEARDMXAXSQEA-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001717705093 1421579959 /nfs/dbraw/zinc/57/99/59/1421579959.db2.gz FZSUSKPKDKKXLY-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP C[N@H+](CCCC1CCC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001717705513 1421580336 /nfs/dbraw/zinc/58/03/36/1421580336.db2.gz HBTAHIVHSZSLGJ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2cc(C)ccc2C)CC1 ZINC001717705887 1421581088 /nfs/dbraw/zinc/58/10/88/1421581088.db2.gz VCNSBCNOOZDMCO-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001717827059 1421641006 /nfs/dbraw/zinc/64/10/06/1421641006.db2.gz VHOYAIHSLLVGJG-QFBILLFUSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001717966364 1421737973 /nfs/dbraw/zinc/73/79/73/1421737973.db2.gz HVXXGUYOYQNTPE-SJLPKXTDSA-N 2 0 339.568 3.131 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001733385541 1429572636 /nfs/dbraw/zinc/57/26/36/1429572636.db2.gz QKCSVQNYNCXJTK-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CC3CCC3)C2)CC1 ZINC001733459786 1429682791 /nfs/dbraw/zinc/68/27/91/1429682791.db2.gz AFDAZULBNGFKGO-NRFANRHFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001724183692 1424716651 /nfs/dbraw/zinc/71/66/51/1424716651.db2.gz KJZZIXVHXROOBS-HXUWFJFHSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724188450 1424720270 /nfs/dbraw/zinc/72/02/70/1424720270.db2.gz GLLPRJLSXHJWBX-RXVVDRJESA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001724219929 1424739573 /nfs/dbraw/zinc/73/95/73/1424739573.db2.gz WPTQPDUJXOJEEN-LJQANCHMSA-N 2 0 349.544 3.052 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001724224432 1424742071 /nfs/dbraw/zinc/74/20/71/1424742071.db2.gz YARHAUWFXUQHEE-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@]1(CNC(=O)CCC[NH+]2CCCCC2)CCC[N@H+](CC2CCC2)C1 ZINC001724342684 1424840872 /nfs/dbraw/zinc/84/08/72/1424840872.db2.gz KWOUTKIFDHRLDE-NRFANRHFSA-N 2 0 349.563 3.271 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC3CCCCCC3)CCC2)CC1 ZINC001724795597 1425162702 /nfs/dbraw/zinc/16/27/02/1425162702.db2.gz HVRQUDCVFVMZAO-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@H+](CCC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001725025998 1425444572 /nfs/dbraw/zinc/44/45/72/1425444572.db2.gz LGRABMAOIPJONA-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001725151249 1425637039 /nfs/dbraw/zinc/63/70/39/1425637039.db2.gz VWLDNQJYGZJZSE-MSOLQXFVSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001725151551 1425637200 /nfs/dbraw/zinc/63/72/00/1425637200.db2.gz VWLDNQJYGZJZSE-ROUUACIJSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001725607547 1426264761 /nfs/dbraw/zinc/26/47/61/1426264761.db2.gz PLRFPUHIPDWWQL-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C ZINC001725754143 1426433812 /nfs/dbraw/zinc/43/38/12/1426433812.db2.gz HHSRUNNFLWRSDG-INIZCTEOSA-N 2 0 339.549 3.019 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001731384588 1427326455 /nfs/dbraw/zinc/32/64/55/1427326455.db2.gz DNQBZWWZWIUREF-IEBWSBKVSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C)cc1C ZINC001731542323 1427552629 /nfs/dbraw/zinc/55/26/29/1427552629.db2.gz GMRBKFZXCJIIIN-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001733710771 1429926545 /nfs/dbraw/zinc/92/65/45/1429926545.db2.gz POIOYPBQWLWVRY-HSALFYBXSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001733761735 1429977358 /nfs/dbraw/zinc/97/73/58/1429977358.db2.gz ADYXVKQRPXOYJQ-AZUAARDMSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001733899307 1437717057 /nfs/dbraw/zinc/71/70/57/1437717057.db2.gz GWPBSJSPQCOOMD-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCCC1)C1CCC([NH2+]CCC2CC2)CC1 ZINC001734011954 1437803424 /nfs/dbraw/zinc/80/34/24/1437803424.db2.gz AGVPUMGMZMZJAX-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734065890 1437860973 /nfs/dbraw/zinc/86/09/73/1437860973.db2.gz NISGXHAQJIETLW-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752512129 1440190395 /nfs/dbraw/zinc/19/03/95/1440190395.db2.gz AYGAMURBQSTUOG-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752639526 1440197484 /nfs/dbraw/zinc/19/74/84/1440197484.db2.gz NYCVUWIHBMFBEC-VJANTYMQSA-N 2 0 337.552 3.026 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001752686800 1440199973 /nfs/dbraw/zinc/19/99/73/1440199973.db2.gz AZWBRFCMYGHBRN-YOQCTACHSA-N 2 0 335.536 3.066 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001752828801 1440224758 /nfs/dbraw/zinc/22/47/58/1440224758.db2.gz ZNZUQJPOUSUQKD-IBGZPJMESA-N 2 0 345.531 3.175 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001752833536 1440226527 /nfs/dbraw/zinc/22/65/27/1440226527.db2.gz HDXIQRGSTDYLSV-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752836914 1440228250 /nfs/dbraw/zinc/22/82/50/1440228250.db2.gz PYXOMBOHDCLGLK-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752845810 1440232238 /nfs/dbraw/zinc/23/22/38/1440232238.db2.gz AAMOKTNHHPRCFL-CFXMGXPISA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001752851558 1440233666 /nfs/dbraw/zinc/23/36/66/1440233666.db2.gz VKIWALNLEODSEP-LMDPOFIKSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001752883128 1440239365 /nfs/dbraw/zinc/23/93/65/1440239365.db2.gz HISKDRMUOOJNAG-RNODOKPDSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001752891219 1440240997 /nfs/dbraw/zinc/24/09/97/1440240997.db2.gz GWRQELNKFDTNHM-INIZCTEOSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001752891696 1440241107 /nfs/dbraw/zinc/24/11/07/1440241107.db2.gz PCEHFTDAQJJXCF-IAGOWNOFSA-N 2 0 331.504 3.025 20 0 EGADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001752917449 1440247509 /nfs/dbraw/zinc/24/75/09/1440247509.db2.gz MZCZZDMFXUOKRP-SJORKVTESA-N 2 0 345.531 3.235 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001752976751 1440256173 /nfs/dbraw/zinc/25/61/73/1440256173.db2.gz RDSYMKXKWUBRKI-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752983656 1440257684 /nfs/dbraw/zinc/25/76/84/1440257684.db2.gz NAKSMTLSZZMTIC-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001753000624 1440264506 /nfs/dbraw/zinc/26/45/06/1440264506.db2.gz SULJRXTYEVFNNR-MJGOQNOKSA-N 2 0 331.504 3.011 20 0 EGADRP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CCC(C)(C)CC1 ZINC001753059494 1440282761 /nfs/dbraw/zinc/28/27/61/1440282761.db2.gz KFQBQEBHQJNSOU-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC1CCCCC1 ZINC001753091283 1440299325 /nfs/dbraw/zinc/29/93/25/1440299325.db2.gz PMMCOYIFBMTUBY-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCC(CC)C[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001753157746 1440331932 /nfs/dbraw/zinc/33/19/32/1440331932.db2.gz WEOBVLJSGYARJI-UHFFFAOYSA-N 2 0 342.487 3.273 20 0 EGADRP CCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001753278980 1440346959 /nfs/dbraw/zinc/34/69/59/1440346959.db2.gz YGFNZCHXQGRXRL-KRWDZBQOSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001753298528 1440353350 /nfs/dbraw/zinc/35/33/50/1440353350.db2.gz JDZCWXPJNKJAFJ-WOJBJXKFSA-N 2 0 343.515 3.106 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753368578 1440386697 /nfs/dbraw/zinc/38/66/97/1440386697.db2.gz XWIKHJOZLJUYNQ-VAMGGRTRSA-N 2 0 345.531 3.305 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753439586 1440401167 /nfs/dbraw/zinc/40/11/67/1440401167.db2.gz OWWANCMBXDDYSP-MOPGFXCFSA-N 2 0 335.536 3.116 20 0 EGADRP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753439587 1440401328 /nfs/dbraw/zinc/40/13/28/1440401328.db2.gz OWWANCMBXDDYSP-OALUTQOASA-N 2 0 335.536 3.116 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753450197 1440405787 /nfs/dbraw/zinc/40/57/87/1440405787.db2.gz ODXJSPVULNPISS-ICSRJNTNSA-N 2 0 343.515 3.156 20 0 EGADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1c(C)cccc1C ZINC001753471388 1440413954 /nfs/dbraw/zinc/41/39/54/1440413954.db2.gz LUPQCFXNZICWDN-QUCCMNQESA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C/c1ccccc1 ZINC001753484675 1440417458 /nfs/dbraw/zinc/41/74/58/1440417458.db2.gz QHUSMYUVEFWGCE-LVLBXJPDSA-N 2 0 343.515 3.059 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCC2CCCCCC2)CCCC1 ZINC001753501766 1440423391 /nfs/dbraw/zinc/42/33/91/1440423391.db2.gz WKBORXHYNKGRDR-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001753522753 1440428861 /nfs/dbraw/zinc/42/88/61/1440428861.db2.gz AUQLSMDOIXLPOC-LAUBAEHRSA-N 2 0 345.531 3.191 20 0 EGADRP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753559925 1440436756 /nfs/dbraw/zinc/43/67/56/1440436756.db2.gz XRXVDEMINGIPRZ-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(CC[NH2+]CCCC3CCC3)CC2)CCC1 ZINC001753568232 1440438009 /nfs/dbraw/zinc/43/80/09/1440438009.db2.gz ZILPJBUMQZOMDQ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1)[NH+](C)C ZINC001753589240 1440442266 /nfs/dbraw/zinc/44/22/66/1440442266.db2.gz RTSCECRRRXUZEA-LJQANCHMSA-N 2 0 345.531 3.169 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001753671237 1440462139 /nfs/dbraw/zinc/46/21/39/1440462139.db2.gz OSSNQBDBIFIFOR-WYNBNGFRSA-N 2 0 349.563 3.482 20 0 EGADRP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001753675181 1440463105 /nfs/dbraw/zinc/46/31/05/1440463105.db2.gz UXNLVGQBYKHALX-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001753699832 1440468163 /nfs/dbraw/zinc/46/81/63/1440468163.db2.gz DKCGWYUUXFTWMG-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001753699831 1440468241 /nfs/dbraw/zinc/46/82/41/1440468241.db2.gz DKCGWYUUXFTWMG-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753712244 1440470999 /nfs/dbraw/zinc/47/09/99/1440470999.db2.gz HBURVBHVDMXVDV-QGZVFWFLSA-N 2 0 347.547 3.163 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753729681 1440475401 /nfs/dbraw/zinc/47/54/01/1440475401.db2.gz PGLSBVPJPDNHMH-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001753734684 1440477348 /nfs/dbraw/zinc/47/73/48/1440477348.db2.gz GWEHWENZJSFPFJ-PMACEKPBSA-N 2 0 345.531 3.180 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001753809341 1440492411 /nfs/dbraw/zinc/49/24/11/1440492411.db2.gz LVWSFLGROXXTKQ-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1)CC1CCCC1 ZINC001753823388 1440497264 /nfs/dbraw/zinc/49/72/64/1440497264.db2.gz GXSGYNWACPUSTB-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1=CCCCC1 ZINC001753829695 1440499392 /nfs/dbraw/zinc/49/93/92/1440499392.db2.gz BFNFJWTTXFZGIN-GOSISDBHSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753860887 1440511399 /nfs/dbraw/zinc/51/13/99/1440511399.db2.gz NEPJLEPTBOKPFE-BQFCYCMXSA-N 2 0 349.494 3.007 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC2CC2)CCCCC1 ZINC001753891452 1440522142 /nfs/dbraw/zinc/52/21/42/1440522142.db2.gz LGAOEWGKOAOJGL-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001753971153 1440527174 /nfs/dbraw/zinc/52/71/74/1440527174.db2.gz SLPYZUJIJGTPJF-MSOLQXFVSA-N 2 0 345.531 3.333 20 0 EGADRP C[C@@H](CC[NH2+][C@H]1CCc2ccccc21)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753988510 1440528811 /nfs/dbraw/zinc/52/88/11/1440528811.db2.gz HFZMRWJZNZDGDD-LPHOPBHVSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754006769 1440530897 /nfs/dbraw/zinc/53/08/97/1440530897.db2.gz BGKVEKOWAAWSOA-AZUAARDMSA-N 2 0 345.531 3.242 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754156276 1440545557 /nfs/dbraw/zinc/54/55/57/1440545557.db2.gz JOVNDVDNDIANQB-LKGOPFMKSA-N 2 0 343.515 3.192 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001754247995 1440557183 /nfs/dbraw/zinc/55/71/83/1440557183.db2.gz MSSFAEAKELATRL-HZPDHXFCSA-N 2 0 349.494 3.101 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754278300 1440562741 /nfs/dbraw/zinc/56/27/41/1440562741.db2.gz UOTIVAZJHRKAOC-INIZCTEOSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC001754278801 1440562811 /nfs/dbraw/zinc/56/28/11/1440562811.db2.gz MOGFABFCZMDQOB-RZQQEMMASA-N 2 0 339.483 3.089 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754322729 1440578756 /nfs/dbraw/zinc/57/87/56/1440578756.db2.gz DVHWFAWFLUXLEP-LNLFQRSKSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001754336671 1440586677 /nfs/dbraw/zinc/58/66/77/1440586677.db2.gz OIPWMERDJYWBEH-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](C(=O)NCC1([NH2+]CC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC001754527975 1440621723 /nfs/dbraw/zinc/62/17/23/1440621723.db2.gz XIPZHEHAFGNTCP-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)CCC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001754627752 1440646758 /nfs/dbraw/zinc/64/67/58/1440646758.db2.gz XHRFMJWEZPPJEJ-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)cc1C ZINC001754651507 1440652014 /nfs/dbraw/zinc/65/20/14/1440652014.db2.gz TWWRBMAMLDFPME-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001754680112 1440661672 /nfs/dbraw/zinc/66/16/72/1440661672.db2.gz HDNBGUCQVWSFSR-LPHOPBHVSA-N 2 0 349.544 3.093 20 0 EGADRP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC=C(C)C)C1)[NH+](CC)CC ZINC001754730249 1440678641 /nfs/dbraw/zinc/67/86/41/1440678641.db2.gz DKSPZBWYVLKRIM-QUCCMNQESA-N 2 0 337.552 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001754733562 1440681053 /nfs/dbraw/zinc/68/10/53/1440681053.db2.gz NBJOWUAUPITNMU-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CCC1 ZINC001754831860 1440695728 /nfs/dbraw/zinc/69/57/28/1440695728.db2.gz RPBJRYARKZGXLN-BCDXTJNWSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001754947515 1440713818 /nfs/dbraw/zinc/71/38/18/1440713818.db2.gz NSKCGJUSEYEFCW-QGZVFWFLSA-N 2 0 345.531 3.484 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001754961106 1440717652 /nfs/dbraw/zinc/71/76/52/1440717652.db2.gz IHNKDNUUIGVGBB-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001754980539 1440721219 /nfs/dbraw/zinc/72/12/19/1440721219.db2.gz HKLSBWWYDXFDPQ-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCC3CCCCCC3)CCC2)CC[N@@H+]1C ZINC001754980785 1440721226 /nfs/dbraw/zinc/72/12/26/1440721226.db2.gz QZOOSFYJPYLIII-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCC3CCCCC3)CCC2)CCC1 ZINC001754981687 1440721363 /nfs/dbraw/zinc/72/13/63/1440721363.db2.gz CGTGIQKAKYMOFC-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001755034767 1440733438 /nfs/dbraw/zinc/73/34/38/1440733438.db2.gz YNIXMTHURIZCGV-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1c(C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001755039772 1440736382 /nfs/dbraw/zinc/73/63/82/1440736382.db2.gz COLCEHCTGDUCGI-UHFFFAOYSA-N 2 0 344.503 3.473 20 0 EGADRP CN(CCC[N@H+](C)CCC1CCCCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755044162 1440739332 /nfs/dbraw/zinc/73/93/32/1440739332.db2.gz OCNCYVVEZWMNFN-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+](CCC3CC3)C2)C1 ZINC001755048080 1440742455 /nfs/dbraw/zinc/74/24/55/1440742455.db2.gz UANPDZPSGTXCPJ-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001755071507 1440746751 /nfs/dbraw/zinc/74/67/51/1440746751.db2.gz WOASRUBUPWNSNA-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]Cc2ccccc2C)CC1 ZINC001755073409 1440747504 /nfs/dbraw/zinc/74/75/04/1440747504.db2.gz SPXXASFODWDUCI-UHFFFAOYSA-N 2 0 345.531 3.198 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001755108611 1440753984 /nfs/dbraw/zinc/75/39/84/1440753984.db2.gz IBRFTEXRFDYGGZ-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001755134974 1440757986 /nfs/dbraw/zinc/75/79/86/1440757986.db2.gz BGNBNFXJBQYGOV-IPLHWJFFSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001755183725 1440772046 /nfs/dbraw/zinc/77/20/46/1440772046.db2.gz PAFPVHPKYSUMAV-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001755194184 1440775994 /nfs/dbraw/zinc/77/59/94/1440775994.db2.gz OUOLCICCMOBJCK-GOSISDBHSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001755248349 1440791266 /nfs/dbraw/zinc/79/12/66/1440791266.db2.gz IQEWKVQTGWUBQR-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001755274687 1440798622 /nfs/dbraw/zinc/79/86/22/1440798622.db2.gz FAJCBWQIUXXRSJ-UHFFFAOYSA-N 2 0 337.552 3.409 20 0 EGADRP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001755275817 1440799006 /nfs/dbraw/zinc/79/90/06/1440799006.db2.gz IJRKRWBPFNPKQC-LMDPOFIKSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001755275948 1440799016 /nfs/dbraw/zinc/79/90/16/1440799016.db2.gz MOGRJFHYCHLKKQ-VIQWUECVSA-N 2 0 337.552 3.268 20 0 EGADRP CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001755282431 1440801041 /nfs/dbraw/zinc/80/10/41/1440801041.db2.gz RQEAPYDGYFDEPH-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300682 1440808386 /nfs/dbraw/zinc/80/83/86/1440808386.db2.gz VWLMPHMDRBWOBZ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC3CC(C)(C)C3)CCCCC2)CC[N@@H+]1C ZINC001755350718 1440827746 /nfs/dbraw/zinc/82/77/46/1440827746.db2.gz DGCAWFGEWJJJEN-SJLPKXTDSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[C@@H](C[NH2+]CC1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001755359346 1440831152 /nfs/dbraw/zinc/83/11/52/1440831152.db2.gz AFZYBZZIVDEBHP-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755368482 1440836145 /nfs/dbraw/zinc/83/61/45/1440836145.db2.gz RXDNMQFYQVDDJS-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415450 1440848276 /nfs/dbraw/zinc/84/82/76/1440848276.db2.gz INVKRWYQNWZJOL-QAPCUYQASA-N 2 0 349.494 3.054 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001755451126 1440853370 /nfs/dbraw/zinc/85/33/70/1440853370.db2.gz BFMVLXBJTPTNEH-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001755454274 1440854814 /nfs/dbraw/zinc/85/48/14/1440854814.db2.gz ZBGPLLHKNMHKBX-BCEYDMKGSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001755457060 1440856079 /nfs/dbraw/zinc/85/60/79/1440856079.db2.gz LOYNOKFGMZQEAR-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001755472489 1440858997 /nfs/dbraw/zinc/85/89/97/1440858997.db2.gz WPQZZSJGOPIWFF-IYARVYRRSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755519629 1440864796 /nfs/dbraw/zinc/86/47/96/1440864796.db2.gz BHRQAPBQPUZDDQ-MOPGFXCFSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001755571149 1440876852 /nfs/dbraw/zinc/87/68/52/1440876852.db2.gz OBXLHYKVTBRZHG-VQTJNVASSA-N 2 0 347.547 3.186 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001755593856 1440882132 /nfs/dbraw/zinc/88/21/32/1440882132.db2.gz GZZHILQDYRAIRY-CQSZACIVSA-N 2 0 330.476 3.129 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755661832 1440892841 /nfs/dbraw/zinc/89/28/41/1440892841.db2.gz QLDYWWKGXQZQOI-VQIMIIECSA-N 2 0 349.494 3.081 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755706468 1440902665 /nfs/dbraw/zinc/90/26/65/1440902665.db2.gz ACOZSGKLYPCOAC-XUVXKRRUSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)C2)CCCCC1 ZINC001755739092 1440911444 /nfs/dbraw/zinc/91/14/44/1440911444.db2.gz GTWLHCGBMKCWED-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001755817695 1440924606 /nfs/dbraw/zinc/92/46/06/1440924606.db2.gz VLXOZTZXODRQOZ-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001755830582 1440928619 /nfs/dbraw/zinc/92/86/19/1440928619.db2.gz ONCRKACGTZHZJC-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001755835510 1440930128 /nfs/dbraw/zinc/93/01/28/1440930128.db2.gz WKSPQZIYAAIEEK-SFHVURJKSA-N 2 0 339.568 3.273 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001755836364 1440930308 /nfs/dbraw/zinc/93/03/08/1440930308.db2.gz SDAUCSAROSXJMF-RTBURBONSA-N 2 0 345.531 3.136 20 0 EGADRP Cc1c(C(=O)N(C)C2CC([NH2+]CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001755858547 1440936170 /nfs/dbraw/zinc/93/61/70/1440936170.db2.gz IXJHLQHRNVASIY-UHFFFAOYSA-N 2 0 342.487 3.272 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001755861865 1440936953 /nfs/dbraw/zinc/93/69/53/1440936953.db2.gz LEVJZNOQEAGZAB-CTWPCTMYSA-N 2 0 335.536 3.186 20 0 EGADRP Cc1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n(C)n1 ZINC000368497166 168364658 /nfs/dbraw/zinc/36/46/58/168364658.db2.gz WFNHEMNKCJBWKY-UHFFFAOYSA-N 2 0 326.488 3.261 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCC2(CCCCC2)O1 ZINC000342629612 282215885 /nfs/dbraw/zinc/21/58/85/282215885.db2.gz HWGPFMDMFQCQCT-HCXYKTFWSA-N 2 0 336.520 3.052 20 0 EGADRP CCC(CC)(CNC(=O)CC1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000236829691 534949639 /nfs/dbraw/zinc/94/96/39/534949639.db2.gz MKNRLLIMPKMIDL-KRWDZBQOSA-N 2 0 345.531 3.402 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000370304852 168486041 /nfs/dbraw/zinc/48/60/41/168486041.db2.gz CJNSDFXVCLRCSA-LJQANCHMSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000178038083 232065569 /nfs/dbraw/zinc/06/55/69/232065569.db2.gz RYHDTMOGFYGJSN-KDURUIRLSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000067227163 215124607 /nfs/dbraw/zinc/12/46/07/215124607.db2.gz YQBNVEUNBUBHOO-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP Cc1ncccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000103343330 219292595 /nfs/dbraw/zinc/29/25/95/219292595.db2.gz WKLPCOURQQIXOE-IRXDYDNUSA-N 2 0 339.483 3.289 20 0 EGADRP C[N@H+](CCN1CC[NH+](CCc2cccs2)CC1)Cc1ccccc1 ZINC000104088053 219345964 /nfs/dbraw/zinc/34/59/64/219345964.db2.gz LMOWLLDUUUFAQE-UHFFFAOYSA-N 2 0 343.540 3.040 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749008 549326172 /nfs/dbraw/zinc/32/61/72/549326172.db2.gz GEGQPWVBFLYLJV-HXUWFJFHSA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132510335 223338310 /nfs/dbraw/zinc/33/83/10/223338310.db2.gz HPHNWBQVFHTERJ-OPYAIIAOSA-N 2 0 347.547 3.049 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194022363 240406493 /nfs/dbraw/zinc/40/64/93/240406493.db2.gz GIMJXBXMKBETBN-VAMGGRTRSA-N 2 0 344.499 3.064 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000133140888 223391349 /nfs/dbraw/zinc/39/13/49/223391349.db2.gz UJKRLSCFWZGYRO-UGKGYDQZSA-N 2 0 342.527 3.407 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000236650568 242306129 /nfs/dbraw/zinc/30/61/29/242306129.db2.gz HIVSZYZOCYWCSU-KRWDZBQOSA-N 2 0 349.544 3.027 20 0 EGADRP c1cnn(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)c1 ZINC000246949252 243340354 /nfs/dbraw/zinc/34/03/54/243340354.db2.gz UNOCKPQKANZYPP-RXVVDRJESA-N 2 0 336.483 3.321 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000261616493 244610413 /nfs/dbraw/zinc/61/04/13/244610413.db2.gz AHIJIBGJAMSISD-IEBWSBKVSA-N 2 0 329.488 3.232 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000262710835 245134542 /nfs/dbraw/zinc/13/45/42/245134542.db2.gz QHCPRYITSRONFC-OXQOHEQNSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000263315428 245388949 /nfs/dbraw/zinc/38/89/49/245388949.db2.gz HNXICARYMGRRMK-APWZRJJASA-N 2 0 339.483 3.322 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000351781869 284366595 /nfs/dbraw/zinc/36/65/95/284366595.db2.gz HXAYPYRYFBKYCK-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@@H]3C)cc12 ZINC000377348540 169013530 /nfs/dbraw/zinc/01/35/30/169013530.db2.gz VNVQSWVDGKFULL-OXQOHEQNSA-N 2 0 349.482 3.029 20 0 EGADRP C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377631856 169051712 /nfs/dbraw/zinc/05/17/12/169051712.db2.gz RRSBHEHUPQVXSN-UWJYYQICSA-N 2 0 347.522 3.247 20 0 EGADRP COc1ccc(OC(F)F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093088945 218193462 /nfs/dbraw/zinc/19/34/62/218193462.db2.gz ZSNYTTVSGCZHJH-UHFFFAOYSA-N 2 0 328.403 3.070 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1-n1cncn1 ZINC000093563662 218233184 /nfs/dbraw/zinc/23/31/84/218233184.db2.gz GZROCINZHDFELI-IBGZPJMESA-N 2 0 339.487 3.026 20 0 EGADRP Fc1ccc(/C=C/C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735104 218245145 /nfs/dbraw/zinc/24/51/45/218245145.db2.gz MDCWPCPSIUDPLD-ONEGZZNKSA-N 2 0 332.463 3.416 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184229621 296312810 /nfs/dbraw/zinc/31/28/10/296312810.db2.gz BCBISTKOWPENSQ-MOPGFXCFSA-N 2 0 349.563 3.399 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342751361 296314300 /nfs/dbraw/zinc/31/43/00/296314300.db2.gz ODFUNHIUUQRTKT-UWVAXJGDSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268733420 252182669 /nfs/dbraw/zinc/18/26/69/252182669.db2.gz PGXVJTWMWOLODK-INIZCTEOSA-N 2 0 338.455 3.126 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](CC)CC)c1cnn(C)c1 ZINC000268777057 252227781 /nfs/dbraw/zinc/22/77/81/252227781.db2.gz OLQPSQCJGQJDBV-LJQANCHMSA-N 2 0 344.503 3.382 20 0 EGADRP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268815491 252267658 /nfs/dbraw/zinc/26/76/58/252267658.db2.gz MDVSGSIKKKMMGU-RLLQIKCJSA-N 2 0 327.516 3.113 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000268818087 252268512 /nfs/dbraw/zinc/26/85/12/252268512.db2.gz NBNGTRAQZPNUNX-ABSDTBQOSA-N 2 0 334.504 3.058 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268833912 252283589 /nfs/dbraw/zinc/28/35/89/252283589.db2.gz XNSZDALOPXTRCP-INIZCTEOSA-N 2 0 328.456 3.226 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000268861136 252309127 /nfs/dbraw/zinc/30/91/27/252309127.db2.gz VOLALZJDXOHWKZ-ZACQAIPSSA-N 2 0 332.488 3.257 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000268872543 252321612 /nfs/dbraw/zinc/32/16/12/252321612.db2.gz GLRADIVYUHHAPK-XFBWCDHKSA-N 2 0 331.287 3.347 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153766724 224155647 /nfs/dbraw/zinc/15/56/47/224155647.db2.gz SDWQBTXSMZXTIO-OXJNMPFZSA-N 2 0 328.456 3.011 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341380974 285316865 /nfs/dbraw/zinc/31/68/65/285316865.db2.gz QACDYARMEKKLHC-YQEWQEHLSA-N 2 0 348.453 3.323 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344287923 285319380 /nfs/dbraw/zinc/31/93/80/285319380.db2.gz JFJXTOLIBLIMSD-XUVXKRRUSA-N 2 0 332.463 3.171 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000249156378 285338719 /nfs/dbraw/zinc/33/87/19/285338719.db2.gz XBAVPDUGBBIPSY-JTDSTZFVSA-N 2 0 349.494 3.043 20 0 EGADRP COC[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CCOCC1 ZINC000188267684 285396956 /nfs/dbraw/zinc/39/69/56/285396956.db2.gz FHSWIYWATGSEFC-MHJFOBGBSA-N 2 0 338.536 3.061 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000183880042 533454293 /nfs/dbraw/zinc/45/42/93/533454293.db2.gz HFJAKZWRVZIEJT-HNNXBMFYSA-N 2 0 333.476 3.008 20 0 EGADRP C[C@H](c1ccncc1)[NH+](C)CCOCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000246843715 141039142 /nfs/dbraw/zinc/03/91/42/141039142.db2.gz RZHDRYBFPVUUCM-QZTJIDSGSA-N 2 0 342.487 3.179 20 0 EGADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000246864482 141039962 /nfs/dbraw/zinc/03/99/62/141039962.db2.gz CQLVGNNCXHCXGG-MMKMLUHNSA-N 2 0 329.532 3.359 20 0 EGADRP C[C@H](O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000246985600 141047428 /nfs/dbraw/zinc/04/74/28/141047428.db2.gz JZNDJAWVIFRHQZ-WWMYMODYSA-N 2 0 339.483 3.135 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000338017914 141074880 /nfs/dbraw/zinc/07/48/80/141074880.db2.gz XRJWHOIWVZMJBK-SFHVURJKSA-N 2 0 344.503 3.145 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1)C(C)C ZINC000338055424 141083358 /nfs/dbraw/zinc/08/33/58/141083358.db2.gz YUQZPXVNDDJSFA-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP Cc1ccc2nc(CN3CC[NH+](Cc4ccccc4C)CC3)cn2c1 ZINC000338370522 141109910 /nfs/dbraw/zinc/10/99/10/141109910.db2.gz BOWDPBOMPVZSFN-UHFFFAOYSA-N 2 0 334.467 3.269 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCC2(COC)CCC2)CC1 ZINC000339451367 141114296 /nfs/dbraw/zinc/11/42/96/141114296.db2.gz FKIDPQOHJLGYBU-UHFFFAOYSA-N 2 0 345.531 3.125 20 0 EGADRP Cc1cnc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000341258541 141145693 /nfs/dbraw/zinc/14/56/93/141145693.db2.gz LQHHFPJKBCYBNC-VQIMIIECSA-N 2 0 326.488 3.119 20 0 EGADRP c1[nH]nc2cc(CC[NH2+][C@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000342810137 141149820 /nfs/dbraw/zinc/14/98/20/141149820.db2.gz OUKLHDRKJFJJRO-FQEVSTJZSA-N 2 0 334.467 3.360 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342810261 141149843 /nfs/dbraw/zinc/14/98/43/141149843.db2.gz PYWFEZLRLGWVNV-OXQOHEQNSA-N 2 0 349.482 3.001 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000348021932 141233405 /nfs/dbraw/zinc/23/34/05/141233405.db2.gz QHTIJXCGSWDTAR-XLIONFOSSA-N 2 0 345.531 3.156 20 0 EGADRP CN(C)[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000353454608 141299329 /nfs/dbraw/zinc/29/93/29/141299329.db2.gz KUBMLDNOQVQXJQ-CBNMVNINSA-N 2 0 329.532 3.359 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H]4C4CC4)[C@H]3C2)cc1 ZINC000356825750 141349633 /nfs/dbraw/zinc/34/96/33/141349633.db2.gz AQFIAZWMMYSGGM-ALGQRKQJSA-N 2 0 326.484 3.054 20 0 EGADRP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356839690 141351793 /nfs/dbraw/zinc/35/17/93/141351793.db2.gz FHHNWPFTVOKGNG-NSHDSACASA-N 2 0 333.398 3.401 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358009172 141378919 /nfs/dbraw/zinc/37/89/19/141378919.db2.gz CKEVHSPDTNYPKM-OXQOHEQNSA-N 2 0 326.488 3.043 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950912 144082526 /nfs/dbraw/zinc/08/25/26/144082526.db2.gz ZLWFSCHYEKYSDD-ICSRJNTNSA-N 2 0 344.547 3.004 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1CN1CCOC[C@@H]1c1cccn1C ZINC000192188964 144171778 /nfs/dbraw/zinc/17/17/78/144171778.db2.gz DTGDEIVMJMMGDX-HXUWFJFHSA-N 2 0 336.439 3.093 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C ZINC000344686440 144209629 /nfs/dbraw/zinc/20/96/29/144209629.db2.gz RRHNEGWHFVEPJI-FUHWJXTLSA-N 2 0 325.456 3.233 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOC(c3ccccc3)c3ccccc3)C[C@@H]12 ZINC000351475178 144266339 /nfs/dbraw/zinc/26/63/39/144266339.db2.gz HQNOYIDYPAUUCD-PWRODBHTSA-N 2 0 336.479 3.462 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@H]12 ZINC000351477554 144266360 /nfs/dbraw/zinc/26/63/60/144266360.db2.gz NQUAIGSTNIRLEF-YZGWKJHDSA-N 2 0 349.478 3.351 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000351495466 144269446 /nfs/dbraw/zinc/26/94/46/144269446.db2.gz QGJSPTJTLJLYPC-DZIBYMRMSA-N 2 0 326.488 3.455 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119861565 152233218 /nfs/dbraw/zinc/23/32/18/152233218.db2.gz QRMJVIVPLJKPLN-DFBDCSAJSA-N 2 0 335.536 3.017 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CCOCC3)CC2)cc1 ZINC000120691564 152294100 /nfs/dbraw/zinc/29/41/00/152294100.db2.gz DMUWIHIBTGZCNI-KRWDZBQOSA-N 2 0 346.515 3.312 20 0 EGADRP CCN(C)c1ccc(C[NH2+]CCCN2CCc3ccccc3C2)cn1 ZINC000190726198 153155478 /nfs/dbraw/zinc/15/54/78/153155478.db2.gz TYENTGMLHONGIH-UHFFFAOYSA-N 2 0 338.499 3.076 20 0 EGADRP CCN(C)c1ccc(C[NH2+]C[C@H](C)N(C)Cc2ccccc2)cn1 ZINC000190993520 153169865 /nfs/dbraw/zinc/16/98/65/153169865.db2.gz GFRZHPAULQGBEQ-KRWDZBQOSA-N 2 0 326.488 3.148 20 0 EGADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000192655257 153252960 /nfs/dbraw/zinc/25/29/60/153252960.db2.gz SJFVIYSIFAHMPA-OTYNDTSQSA-N 2 0 329.532 3.154 20 0 EGADRP Cc1cccn2c(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000192929108 153267809 /nfs/dbraw/zinc/26/78/09/153267809.db2.gz QTTVHQZIVUTWBX-LJQANCHMSA-N 2 0 334.467 3.254 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CNc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000192959181 153270577 /nfs/dbraw/zinc/27/05/77/153270577.db2.gz HGWFWJZKYCJDKV-SFHVURJKSA-N 2 0 337.471 3.011 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccccc1 ZINC000263066494 153900883 /nfs/dbraw/zinc/90/08/83/153900883.db2.gz VZWVDTOUBKJHOZ-NSHGMRRFSA-N 2 0 331.504 3.093 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000337356510 154304137 /nfs/dbraw/zinc/30/41/37/154304137.db2.gz ARMIGOIQVMRMSI-WBVHZDCISA-N 2 0 334.504 3.265 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000337382131 154323260 /nfs/dbraw/zinc/32/32/60/154323260.db2.gz JQEAFFDOXHVLMO-CVEARBPZSA-N 2 0 332.488 3.017 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000337382133 154323457 /nfs/dbraw/zinc/32/34/57/154323457.db2.gz JQEAFFDOXHVLMO-HZPDHXFCSA-N 2 0 332.488 3.017 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccnc(N(C)C)c2)cc1)C1CC1 ZINC000346916019 156195774 /nfs/dbraw/zinc/19/57/74/156195774.db2.gz GNEQGHOFBVFVOT-UHFFFAOYSA-N 2 0 338.455 3.384 20 0 EGADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000346994036 156234784 /nfs/dbraw/zinc/23/47/84/156234784.db2.gz BCRAAIIIMUCGNO-RTWAWAEBSA-N 2 0 344.499 3.208 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347005059 156242480 /nfs/dbraw/zinc/24/24/80/156242480.db2.gz AWGMRZULCQTAJJ-OAQYLSRUSA-N 2 0 338.499 3.453 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000349091591 156351595 /nfs/dbraw/zinc/35/15/95/156351595.db2.gz YNLRMNZVPXXDTA-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[C@H](NC(=O)CN1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401986 157114284 /nfs/dbraw/zinc/11/42/84/157114284.db2.gz HXHYNGGXTUQXDD-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000368820778 157298139 /nfs/dbraw/zinc/29/81/39/157298139.db2.gz GQBXZKOAOPXEQD-FQEVSTJZSA-N 2 0 345.506 3.163 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2nc3ccccc3n2C)CC[NH+](C)CC1 ZINC000353631942 286658488 /nfs/dbraw/zinc/65/84/88/286658488.db2.gz QZEIYMJKYBHSFF-CQSZACIVSA-N 2 0 332.517 3.051 20 0 EGADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093735073 162025825 /nfs/dbraw/zinc/02/58/25/162025825.db2.gz FMNITUYEQLVSRF-APWZRJJASA-N 2 0 332.488 3.480 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126805017 162313497 /nfs/dbraw/zinc/31/34/97/162313497.db2.gz BPLGYLIYPAFAPQ-AOIWGVFYSA-N 3 0 335.561 3.280 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1OC(F)F ZINC000151857420 162606477 /nfs/dbraw/zinc/60/64/77/162606477.db2.gz HTUZYADZAQIQIE-MRXNPFEDSA-N 2 0 342.430 3.033 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000247024360 162924438 /nfs/dbraw/zinc/92/44/38/162924438.db2.gz URNZMXPIJGLCAA-RTWAWAEBSA-N 2 0 330.516 3.034 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(F)ccc1F ZINC000248445035 163005688 /nfs/dbraw/zinc/00/56/88/163005688.db2.gz MIEKCFLHVHMIGC-RDTXWAMCSA-N 2 0 346.421 3.382 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000249116894 163056984 /nfs/dbraw/zinc/05/69/84/163056984.db2.gz SKFMVNCUALOYIL-ZGXWSNOMSA-N 2 0 326.484 3.056 20 0 EGADRP CCSCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000337267955 163187797 /nfs/dbraw/zinc/18/77/97/163187797.db2.gz WYNXEQMJYNGCKB-UHFFFAOYSA-N 2 0 341.952 3.325 20 0 EGADRP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)CCC[NH+]1CCCC1 ZINC000337269822 163189354 /nfs/dbraw/zinc/18/93/54/163189354.db2.gz MHCIMXXIZPOPLV-MSOLQXFVSA-N 2 0 343.515 3.161 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCCC1 ZINC000337278681 163192164 /nfs/dbraw/zinc/19/21/64/163192164.db2.gz SZQHWKJSWDOQNF-OAHLLOKOSA-N 2 0 337.895 3.393 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccncc1F ZINC000337950497 163195243 /nfs/dbraw/zinc/19/52/43/163195243.db2.gz SNDBCYACHMHSST-OAHLLOKOSA-N 2 0 331.435 3.402 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338582885 163282472 /nfs/dbraw/zinc/28/24/72/163282472.db2.gz UJHSNDOBZDUONM-ROUUACIJSA-N 2 0 343.515 3.133 20 0 EGADRP CCC[C@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000338946383 163398812 /nfs/dbraw/zinc/39/88/12/163398812.db2.gz VCGDPFMSSFKWLY-IBGZPJMESA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000354379184 166013369 /nfs/dbraw/zinc/01/33/69/166013369.db2.gz DXXUIAMHOVVOBT-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000354806994 166036916 /nfs/dbraw/zinc/03/69/16/166036916.db2.gz DSXNFDKSOFBJSK-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP COC(=O)c1occc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000343899761 164061443 /nfs/dbraw/zinc/06/14/43/164061443.db2.gz ATZPWJZEIZHAHF-UHFFFAOYSA-N 2 0 348.468 3.130 20 0 EGADRP C[C@H](CCc1ccccc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343977243 164076176 /nfs/dbraw/zinc/07/61/76/164076176.db2.gz HWVNKCZJWDZEEQ-QGZVFWFLSA-N 2 0 327.472 3.133 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000344316456 164154639 /nfs/dbraw/zinc/15/46/39/164154639.db2.gz ZYRFNGGAYJTTRZ-MRXNPFEDSA-N 2 0 344.503 3.473 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000344544216 164189549 /nfs/dbraw/zinc/18/95/49/164189549.db2.gz DQGYWOPUUUOLFL-UHFFFAOYSA-N 2 0 326.440 3.025 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000345817178 164270756 /nfs/dbraw/zinc/27/07/56/164270756.db2.gz XCBZHZDXXPOHAJ-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP COCc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000350266106 165024129 /nfs/dbraw/zinc/02/41/29/165024129.db2.gz MIPRZUKJGBTDAG-UHFFFAOYSA-N 2 0 329.444 3.169 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352145584 165258414 /nfs/dbraw/zinc/25/84/14/165258414.db2.gz BBMWTCDWHBLZAM-KSZLIROESA-N 2 0 325.541 3.027 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000355196170 166129584 /nfs/dbraw/zinc/12/95/84/166129584.db2.gz DGIZAMHOTQPNAU-CQSZACIVSA-N 2 0 345.409 3.332 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000355408032 166187082 /nfs/dbraw/zinc/18/70/82/166187082.db2.gz DVPBGPFFZUIAHY-IAGOWNOFSA-N 2 0 331.504 3.017 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1)CC1CC1 ZINC000355897296 166340704 /nfs/dbraw/zinc/34/07/04/166340704.db2.gz DJSJNYFZWGZZJQ-UHFFFAOYSA-N 2 0 343.515 3.120 20 0 EGADRP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000359661994 167204573 /nfs/dbraw/zinc/20/45/73/167204573.db2.gz PZZDOJZRPABBBD-LVCYWYKZSA-N 2 0 348.531 3.447 20 0 EGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000360589472 167364402 /nfs/dbraw/zinc/36/44/02/167364402.db2.gz RSPGFWKHNCVPAB-GUDVDZBRSA-N 2 0 344.547 3.002 20 0 EGADRP CCc1noc(C2CCC([NH2+]C[C@H]3N(C)CCCC3(C)C)CC2)n1 ZINC000366092499 168081534 /nfs/dbraw/zinc/08/15/34/168081534.db2.gz NKXVHXYRYQOFBV-UYSNPLJNSA-N 2 0 334.508 3.368 20 0 EGADRP c1csc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)n1 ZINC000366637922 168126067 /nfs/dbraw/zinc/12/60/67/168126067.db2.gz ZJQCTFXIAQQOLG-GOSISDBHSA-N 2 0 348.560 3.499 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000366741121 168135182 /nfs/dbraw/zinc/13/51/82/168135182.db2.gz TYJRPVNJGJFSQC-HDICACEKSA-N 2 0 338.536 3.014 20 0 EGADRP COc1cc(OC)c(OC)cc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366950562 168159990 /nfs/dbraw/zinc/15/99/90/168159990.db2.gz GKSYMYOEZVWFHE-UHFFFAOYSA-N 2 0 348.487 3.020 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnc([C@H]4CCCO4)s3)C2)CC1 ZINC000366955104 168161153 /nfs/dbraw/zinc/16/11/53/168161153.db2.gz QEDDNFNKKHHXBM-MRXNPFEDSA-N 2 0 335.517 3.302 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)CC1 ZINC000366955103 168161660 /nfs/dbraw/zinc/16/16/60/168161660.db2.gz QEDDNFNKKHHXBM-INIZCTEOSA-N 2 0 335.517 3.302 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000367295058 168201986 /nfs/dbraw/zinc/20/19/86/168201986.db2.gz OHYMJPIUQCQIOF-UYJHFMRCSA-N 2 0 326.431 3.157 20 0 EGADRP CC(C)OC1CC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000367435764 168225327 /nfs/dbraw/zinc/22/53/27/168225327.db2.gz CZFDWPNXBHTXAO-UHFFFAOYSA-N 2 0 332.488 3.205 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000367603459 168248268 /nfs/dbraw/zinc/24/82/68/168248268.db2.gz ZTGDIYQNGWCFSL-FXAWDEMLSA-N 2 0 343.515 3.059 20 0 EGADRP CCSc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368052705 168304361 /nfs/dbraw/zinc/30/43/61/168304361.db2.gz XWPDIZWUQONSDJ-IBGZPJMESA-N 2 0 347.572 3.399 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000224404389 266197887 /nfs/dbraw/zinc/19/78/87/266197887.db2.gz WGMXMHJLUBXRRL-LSDHHAIUSA-N 2 0 327.513 3.142 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000236846348 266217177 /nfs/dbraw/zinc/21/71/77/266217177.db2.gz CXZUGKIMPHXILT-KRWDZBQOSA-N 2 0 332.488 3.448 20 0 EGADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000258975418 266264419 /nfs/dbraw/zinc/26/44/19/266264419.db2.gz KPFFSQHENMRXIG-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265630498 266271140 /nfs/dbraw/zinc/27/11/40/266271140.db2.gz FGBGSYASTNDVHM-QGZVFWFLSA-N 2 0 326.488 3.066 20 0 EGADRP C[C@H]([NH2+]CCc1nc2ccccc2n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273318842 267019777 /nfs/dbraw/zinc/01/97/77/267019777.db2.gz WDUIYBSHNAYGRC-IRXDYDNUSA-N 2 0 340.515 3.358 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)CN1CC[NH+](C)CC1 ZINC000273578160 267062353 /nfs/dbraw/zinc/06/23/53/267062353.db2.gz MFJGIBQJOGMSJU-KXBFYZLASA-N 2 0 335.923 3.191 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000274650149 267267364 /nfs/dbraw/zinc/26/73/64/267267364.db2.gz SRECGHXLIBXSEY-DYESRHJHSA-N 2 0 345.506 3.377 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000274666096 267270150 /nfs/dbraw/zinc/27/01/50/267270150.db2.gz HYDCIDMFEFDGBQ-HNNXBMFYSA-N 2 0 335.492 3.122 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000274678096 267270822 /nfs/dbraw/zinc/27/08/22/267270822.db2.gz ZWNFUVAQOZNEII-KRWDZBQOSA-N 2 0 345.531 3.182 20 0 EGADRP CC[NH+]1CCC(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000274682863 267272122 /nfs/dbraw/zinc/27/21/22/267272122.db2.gz RVQJHUPIGYBSPN-KRWDZBQOSA-N 2 0 343.437 3.382 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274919813 267306907 /nfs/dbraw/zinc/30/69/07/267306907.db2.gz LCZGOXBSLBJECS-SCTDSRPQSA-N 2 0 345.531 3.180 20 0 EGADRP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274966032 267312751 /nfs/dbraw/zinc/31/27/51/267312751.db2.gz XGZBIBVQTTZCGV-VYDXJSESSA-N 2 0 344.421 3.454 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3nccn32)CCN1C(=O)OC(C)(C)C ZINC000278527084 268032077 /nfs/dbraw/zinc/03/20/77/268032077.db2.gz UFEQYOGZINHAEI-CABCVRRESA-N 2 0 344.459 3.212 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000181010537 273795694 /nfs/dbraw/zinc/79/56/94/273795694.db2.gz GCMFBBHSPLPJGQ-PMACEKPBSA-N 2 0 329.532 3.184 20 0 EGADRP CSC1(C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)CC[NH+](C)CC1 ZINC000353208254 274174749 /nfs/dbraw/zinc/17/47/49/274174749.db2.gz JCIAVZKRMKJBNU-UHFFFAOYSA-N 2 0 338.565 3.172 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000246361119 275053017 /nfs/dbraw/zinc/05/30/17/275053017.db2.gz ILPCMPRCHHQWNY-HSALFYBXSA-N 2 0 332.463 3.171 20 0 EGADRP C[C@]([NH3+])(C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000192522501 275224220 /nfs/dbraw/zinc/22/42/20/275224220.db2.gz AEKJOHMVOXGQSO-OAQYLSRUSA-N 2 0 337.467 3.138 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000278590626 275257006 /nfs/dbraw/zinc/25/70/06/275257006.db2.gz YVKQUSCGRWOUED-HNNXBMFYSA-N 2 0 332.488 3.099 20 0 EGADRP CC(C)Sc1cccc(Cl)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000280986989 275511998 /nfs/dbraw/zinc/51/19/98/275511998.db2.gz UUNISAIEGYWOAY-UHFFFAOYSA-N 2 0 342.936 3.387 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc2c[nH+]cn2c1 ZINC000285756297 275908757 /nfs/dbraw/zinc/90/87/57/275908757.db2.gz VCFUTJJLLPUOOT-UHFFFAOYSA-N 2 0 334.423 3.225 20 0 EGADRP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000286545359 276015133 /nfs/dbraw/zinc/01/51/33/276015133.db2.gz OJFPQZNHYZYUJL-XGBNDESESA-N 2 0 336.426 3.069 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccc1-n1ccnn1 ZINC000287711271 276149964 /nfs/dbraw/zinc/14/99/64/276149964.db2.gz XOCNPADKAZESNA-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP Cc1nc2ccccc2n1CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287764496 276155015 /nfs/dbraw/zinc/15/50/15/276155015.db2.gz RDLYYPZCFLACSZ-WFASDCNBSA-N 2 0 327.350 3.044 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000154257473 276195066 /nfs/dbraw/zinc/19/50/66/276195066.db2.gz CWJXUZNZUYKALD-GOEBONIOSA-N 2 0 339.574 3.291 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367755184 276195147 /nfs/dbraw/zinc/19/51/47/276195147.db2.gz OCZGAMOWPFOANK-IBGZPJMESA-N 2 0 347.551 3.038 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000288455533 276215857 /nfs/dbraw/zinc/21/58/57/276215857.db2.gz PQYRKULZPIWEOA-FXAWDEMLSA-N 2 0 343.515 3.227 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000288486304 276219299 /nfs/dbraw/zinc/21/92/99/276219299.db2.gz GXICSNZXZDMSDF-UHFFFAOYSA-N 2 0 343.471 3.101 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000289333098 276323483 /nfs/dbraw/zinc/32/34/83/276323483.db2.gz VWWXZUDTGAAHLH-UZLBHIALSA-N 2 0 340.515 3.079 20 0 EGADRP C[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000289332903 276323503 /nfs/dbraw/zinc/32/35/03/276323503.db2.gz VEFIYLNRVZWGSI-AWEZNQCLSA-N 2 0 344.421 3.245 20 0 EGADRP Cc1ccncc1CCC[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000289342627 276324910 /nfs/dbraw/zinc/32/49/10/276324910.db2.gz WIRAHCWKHYVPCW-UHFFFAOYSA-N 2 0 341.499 3.443 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@]12CCCO2 ZINC000376282846 276344429 /nfs/dbraw/zinc/34/44/29/276344429.db2.gz BSLCLYJHYLLEQL-AQNXPRMDSA-N 2 0 336.520 3.100 20 0 EGADRP Cc1ccc(-c2ccc(C[N@H+](C)CCCN3CC[NH+](C)CC3)o2)cc1 ZINC000289484141 276346027 /nfs/dbraw/zinc/34/60/27/276346027.db2.gz QVVGHANOBUDIKD-UHFFFAOYSA-N 2 0 341.499 3.324 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1nccc2ccccc21 ZINC000289544884 276355804 /nfs/dbraw/zinc/35/58/04/276355804.db2.gz BUJLPBQAQHUFAO-SJLPKXTDSA-N 2 0 327.472 3.122 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(COCCOC)cc1 ZINC000289604733 276365139 /nfs/dbraw/zinc/36/51/39/276365139.db2.gz DQRSJAXVYWNPPV-SFHVURJKSA-N 2 0 336.520 3.450 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC(C)(C)c4ccccc43)C2)CC1 ZINC000370634373 277028975 /nfs/dbraw/zinc/02/89/75/277028975.db2.gz LJFLMBYRQOCXMM-JXFKEZNVSA-N 2 0 327.516 3.167 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1C ZINC000366350773 277325645 /nfs/dbraw/zinc/32/56/45/277325645.db2.gz WJMRGSBVZWLTJW-JTDSTZFVSA-N 2 0 336.520 3.351 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341383947 277585665 /nfs/dbraw/zinc/58/56/65/277585665.db2.gz WOPUJDDBALBRMA-UHFFFAOYSA-N 2 0 336.442 3.180 20 0 EGADRP C[C@@H](CC[NH2+]C1CCN(CCC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC000361456117 278233434 /nfs/dbraw/zinc/23/34/34/278233434.db2.gz IBBMEYCLQOZCPM-HNNXBMFYSA-N 2 0 335.458 3.257 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(OCC[NH+](C)C)c1 ZINC000124909838 278281990 /nfs/dbraw/zinc/28/19/90/278281990.db2.gz HPMRWTFYHLJKHV-JOCLIGHLSA-N 2 0 332.488 3.235 20 0 EGADRP C[C@H](c1cccnc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267331079 278313869 /nfs/dbraw/zinc/31/38/69/278313869.db2.gz AADTVMAIRBSOAG-FGTMMUONSA-N 2 0 331.504 3.354 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1nccc2ccccc21 ZINC000377742134 278372962 /nfs/dbraw/zinc/37/29/62/278372962.db2.gz GTYQBCOUAQPRAB-SJLPKXTDSA-N 2 0 338.499 3.054 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000344812731 279137460 /nfs/dbraw/zinc/13/74/60/279137460.db2.gz XCXAYCVZCCVANX-IRXDYDNUSA-N 2 0 331.504 3.017 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCN(C(C)C)C2=O)c1 ZINC000174996355 279137772 /nfs/dbraw/zinc/13/77/72/279137772.db2.gz CHMKIUGHYQSTMP-LJQANCHMSA-N 2 0 331.504 3.017 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000355707027 279153713 /nfs/dbraw/zinc/15/37/13/279153713.db2.gz UJSFVRUQXRCNKS-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)Sc2sccc21)CN1CC[NH+](C)CC1 ZINC000361107894 279354366 /nfs/dbraw/zinc/35/43/66/279354366.db2.gz IXNHEZAIJRMHJO-FMKPAKJESA-N 2 0 339.574 3.147 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261855874 290393106 /nfs/dbraw/zinc/39/31/06/290393106.db2.gz NWHHDADVVZXYSC-ZWKOTPCHSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000158979656 533695956 /nfs/dbraw/zinc/69/59/56/533695956.db2.gz YWYSMRVECLKFGF-FHWLQOOXSA-N 2 0 340.515 3.408 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000054408444 307338027 /nfs/dbraw/zinc/33/80/27/307338027.db2.gz RGIJAGRVUBJGTP-UHFFFAOYSA-N 2 0 340.471 3.002 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)CC(C)C ZINC000073638275 307387462 /nfs/dbraw/zinc/38/74/62/307387462.db2.gz MYOOTTSZGBZEAY-LJQANCHMSA-N 2 0 333.520 3.235 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000131291976 307640747 /nfs/dbraw/zinc/64/07/47/307640747.db2.gz QVOFIPGVAFAGSM-UONOGXRCSA-N 2 0 345.329 3.134 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132490163 307658649 /nfs/dbraw/zinc/65/86/49/307658649.db2.gz NKUBMCYREQAJBF-NHCUHLMSSA-N 2 0 349.538 3.254 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000138250882 307719381 /nfs/dbraw/zinc/71/93/81/307719381.db2.gz DZOLJDSTPBVKJJ-SFHVURJKSA-N 2 0 326.488 3.437 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000152056386 307744952 /nfs/dbraw/zinc/74/49/52/307744952.db2.gz AYXFGUYPPGZBAU-OAHLLOKOSA-N 2 0 342.439 3.207 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000155572802 307816554 /nfs/dbraw/zinc/81/65/54/307816554.db2.gz MTPLQJNJZKPQSF-YRNRMSPPSA-N 2 0 333.495 3.065 20 0 EGADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000161695115 307905737 /nfs/dbraw/zinc/90/57/37/307905737.db2.gz BFPZLTBXPAMZEM-SJORKVTESA-N 2 0 345.512 3.208 20 0 EGADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000248389097 308001750 /nfs/dbraw/zinc/00/17/50/308001750.db2.gz RRJFQWNFPBWRFY-HKUYNNGSSA-N 2 0 334.479 3.191 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405287 308002173 /nfs/dbraw/zinc/00/21/73/308002173.db2.gz RDHMZISFDGEVKW-CIAFKFPVSA-N 3 0 341.543 3.219 20 0 EGADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248417573 308002691 /nfs/dbraw/zinc/00/26/91/308002691.db2.gz RLGQUNKLPLUCRX-UAFMIMERSA-N 2 0 330.516 3.284 20 0 EGADRP COCOc1ccc(OC)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000293051333 308094218 /nfs/dbraw/zinc/09/42/18/308094218.db2.gz ROKFKSRNOAMJTN-UHFFFAOYSA-N 2 0 336.476 3.034 20 0 EGADRP FC(F)Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000293123299 308101234 /nfs/dbraw/zinc/10/12/34/308101234.db2.gz YGEDVSCAFBTNBI-UHFFFAOYSA-N 2 0 348.441 3.424 20 0 EGADRP Cc1noc(C2CCC([NH2+]Cc3cccc(C[NH+](C)C)c3)CC2)n1 ZINC000293562561 308141922 /nfs/dbraw/zinc/14/19/22/308141922.db2.gz XLLGROZNSLZJML-UHFFFAOYSA-N 2 0 328.460 3.256 20 0 EGADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293759717 308159184 /nfs/dbraw/zinc/15/91/84/308159184.db2.gz OVTUBHKIFPGOOI-INIZCTEOSA-N 2 0 333.476 3.414 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+](C)C ZINC000293807904 308163844 /nfs/dbraw/zinc/16/38/44/308163844.db2.gz VJQXDFBDFAHSKR-STQMWFEESA-N 2 0 345.409 3.210 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000293919304 308174012 /nfs/dbraw/zinc/17/40/12/308174012.db2.gz PGQJFEAUDZFNDA-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP Cc1cnccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000294829641 308261995 /nfs/dbraw/zinc/26/19/95/308261995.db2.gz NHRZIGURGVZJQP-QZTJIDSGSA-N 2 0 331.504 3.101 20 0 EGADRP COCC1CCC([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000295230136 308305525 /nfs/dbraw/zinc/30/55/25/308305525.db2.gz RRZPEVRSYDAGTL-UHFFFAOYSA-N 2 0 334.504 3.312 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000295897521 308372172 /nfs/dbraw/zinc/37/21/72/308372172.db2.gz YUQIWZFHOZWBPK-ZGJYDULXSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706321 309096402 /nfs/dbraw/zinc/09/64/02/309096402.db2.gz LPRKLBVZWHKPOV-NMIHRBCNSA-N 3 0 341.543 3.361 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC[NH2+]1 ZINC000414715666 309097110 /nfs/dbraw/zinc/09/71/10/309097110.db2.gz ZBJGNEKGCVHHOJ-CPUCHLNUSA-N 2 0 340.414 3.049 20 0 EGADRP C[C@@H](CC[NH3+])NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414717644 309097133 /nfs/dbraw/zinc/09/71/33/309097133.db2.gz UQQFVCHDBBDCFF-HNNXBMFYSA-N 2 0 332.492 3.310 20 0 EGADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC(F)F ZINC000414670022 309094721 /nfs/dbraw/zinc/09/47/21/309094721.db2.gz CMQFRSZFAIGVPM-TZMCWYRMSA-N 2 0 328.403 3.117 20 0 EGADRP Cc1cnccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000296667820 308453817 /nfs/dbraw/zinc/45/38/17/308453817.db2.gz FVDXDHRPZNIIJA-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000414719114 309097390 /nfs/dbraw/zinc/09/73/90/309097390.db2.gz XIWCFZBFXYBAGD-RYUDHWBXSA-N 2 0 341.268 3.334 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414742272 309098425 /nfs/dbraw/zinc/09/84/25/309098425.db2.gz FYKPVOSCVDQNGE-WCQYABFASA-N 2 0 329.257 3.408 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000414755218 309098950 /nfs/dbraw/zinc/09/89/50/309098950.db2.gz HCCYOALDOWEXFU-OLZOCXBDSA-N 2 0 339.277 3.032 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](CCCOc2ccccc2)C2CCOCC2)CC[NH2+]1 ZINC000414754572 309098967 /nfs/dbraw/zinc/09/89/67/309098967.db2.gz GHTNLNKLZCBIGM-OALUTQOASA-N 2 0 346.515 3.325 20 0 EGADRP c1ccc(OCc2cccnc2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414771846 309100042 /nfs/dbraw/zinc/10/00/42/309100042.db2.gz SBTKKBDOLRJWDH-KDURUIRLSA-N 2 0 337.467 3.092 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414768960 309099709 /nfs/dbraw/zinc/09/97/09/309099709.db2.gz JBSJUDVLFRIZIH-SJORKVTESA-N 2 0 342.405 3.342 20 0 EGADRP CCCOc1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1OCC ZINC000414771222 309099856 /nfs/dbraw/zinc/09/98/56/309099856.db2.gz QNEKXPQPOMNZGS-CALCHBBNSA-N 2 0 332.488 3.306 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000414775179 309100197 /nfs/dbraw/zinc/10/01/97/309100197.db2.gz BNQBDVYLCRZZIJ-CVEARBPZSA-N 2 0 328.378 3.034 20 0 EGADRP CCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(F)F ZINC000414774176 309100200 /nfs/dbraw/zinc/10/02/00/309100200.db2.gz YJVCWTWMPZWEBX-OKILXGFUSA-N 2 0 340.414 3.118 20 0 EGADRP Fc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781106 309100704 /nfs/dbraw/zinc/10/07/04/309100704.db2.gz MNIMZPSSZAKYFT-QWHCGFSZSA-N 2 0 341.268 3.410 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784225 309100935 /nfs/dbraw/zinc/10/09/35/309100935.db2.gz QZADKGXRIBGSDG-CABCVRRESA-N 2 0 328.485 3.027 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788490 309101308 /nfs/dbraw/zinc/10/13/08/309101308.db2.gz WPJGTAWTUNOZOP-ZJOUEHCJSA-N 2 0 344.499 3.066 20 0 EGADRP COc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414788494 309101384 /nfs/dbraw/zinc/10/13/84/309101384.db2.gz WQAACEUGHILGRV-KGLIPLIRSA-N 2 0 331.485 3.126 20 0 EGADRP Cc1nn2c(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000414789229 309101465 /nfs/dbraw/zinc/10/14/65/309101465.db2.gz YDNBXEGCIGWQNY-GJZGRUSLSA-N 2 0 347.532 3.044 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414796662 309102006 /nfs/dbraw/zinc/10/20/06/309102006.db2.gz HYHOGZXMJCGCQK-PXNSSMCTSA-N 2 0 325.456 3.268 20 0 EGADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414803768 309102489 /nfs/dbraw/zinc/10/24/89/309102489.db2.gz OANFFKYTTQNHFP-KGLIPLIRSA-N 2 0 346.393 3.243 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414809480 309102845 /nfs/dbraw/zinc/10/28/45/309102845.db2.gz UGQUYIKSXWZADX-DNVCBOLYSA-N 2 0 335.923 3.412 20 0 EGADRP CCC([NH3+])(CC)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414807722 309102933 /nfs/dbraw/zinc/10/29/33/309102933.db2.gz JKNJOURFVNPQMR-UHFFFAOYSA-N 2 0 337.895 3.052 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414811564 309103070 /nfs/dbraw/zinc/10/30/70/309103070.db2.gz PSLAFOCVJMIQJS-ZDUSSCGKSA-N 2 0 325.884 3.473 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414813425 309103128 /nfs/dbraw/zinc/10/31/28/309103128.db2.gz YIOKVNVODHYHAA-ICSRJNTNSA-N 2 0 325.456 3.268 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414813937 309103179 /nfs/dbraw/zinc/10/31/79/309103179.db2.gz YVIYRTVRWIAPHB-ZFWWWQNUSA-N 2 0 326.868 3.354 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)cc2)cs1 ZINC000414824380 309103889 /nfs/dbraw/zinc/10/38/89/309103889.db2.gz FKRBEEVBNHSWRQ-INIZCTEOSA-N 2 0 331.485 3.120 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc(Cl)c1OC ZINC000414846784 309105244 /nfs/dbraw/zinc/10/52/44/309105244.db2.gz HVKNMMHKZRSQQD-ZDUSSCGKSA-N 2 0 326.868 3.227 20 0 EGADRP Cn1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)nc2cc(C(F)(F)F)ccc21 ZINC000414847328 309105245 /nfs/dbraw/zinc/10/52/45/309105245.db2.gz IYNHHSFEXOKOQB-LBPRGKRZSA-N 2 0 340.393 3.071 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)C[NH+]1CCCC1 ZINC000411515448 308942366 /nfs/dbraw/zinc/94/23/66/308942366.db2.gz ZGBJHRYOGHPFDF-GOSISDBHSA-N 2 0 343.515 3.134 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)c2cc1OC ZINC000413286114 309025093 /nfs/dbraw/zinc/02/50/93/309025093.db2.gz YNQQFBAMJVPCAF-CABCVRRESA-N 2 0 341.455 3.315 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414849711 309105415 /nfs/dbraw/zinc/10/54/15/309105415.db2.gz YFNWWNBZRAULIH-HIFRSBDPSA-N 2 0 325.294 3.359 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414901325 309108197 /nfs/dbraw/zinc/10/81/97/309108197.db2.gz FVSPKGWSXIRNJD-KSSFIOAISA-N 2 0 337.895 3.345 20 0 EGADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]3)cc2)n1 ZINC000414912056 309108753 /nfs/dbraw/zinc/10/87/53/309108753.db2.gz XQVFNSBHUVYRBU-CQSZACIVSA-N 2 0 338.377 3.123 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000414932883 309109948 /nfs/dbraw/zinc/10/99/48/309109948.db2.gz WCRXKAHYPIDKJR-RYUDHWBXSA-N 2 0 349.219 3.410 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000414932369 309109990 /nfs/dbraw/zinc/10/99/90/309109990.db2.gz VOZBIQWHPBFTJC-QWRGUYRKSA-N 2 0 349.219 3.410 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)cc2)cs1 ZINC000414955397 309111324 /nfs/dbraw/zinc/11/13/24/309111324.db2.gz UGFSTICVZJVRDX-CJNGLKHVSA-N 2 0 331.485 3.261 20 0 EGADRP c1ccc(C[NH+]2CCC(NC[C@@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414957660 309111464 /nfs/dbraw/zinc/11/14/64/309111464.db2.gz QINYUGLAQNZJIF-QFIPXVFZSA-N 2 0 335.495 3.128 20 0 EGADRP c1sc(COc2ccccc2)nc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969828 309112242 /nfs/dbraw/zinc/11/22/42/309112242.db2.gz JQLPOTDHFYZAJW-HNNXBMFYSA-N 2 0 331.485 3.344 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414978225 309112438 /nfs/dbraw/zinc/11/24/38/309112438.db2.gz SVIRQELXJIDUEL-GOSISDBHSA-N 2 0 335.923 3.426 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OCC(F)(F)F ZINC000414981573 309112632 /nfs/dbraw/zinc/11/26/32/309112632.db2.gz YBNAFUIYCMKJDE-HNNXBMFYSA-N 2 0 346.393 3.114 20 0 EGADRP CCC([NH3+])(CC)CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414982601 309112770 /nfs/dbraw/zinc/11/27/70/309112770.db2.gz ZGPXYACPPZJELF-UHFFFAOYSA-N 2 0 346.519 3.354 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(Br)ccc1F ZINC000414992799 309113209 /nfs/dbraw/zinc/11/32/09/309113209.db2.gz RQPOHXJSWALGAR-NWSOVMFYSA-N 2 0 327.241 3.194 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000415017113 309114572 /nfs/dbraw/zinc/11/45/72/309114572.db2.gz DVFYNKCIHCYPMB-VIFPVBQESA-N 2 0 337.208 3.268 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000415024861 309114927 /nfs/dbraw/zinc/11/49/27/309114927.db2.gz PTNXMIXVGXCMSY-VXGBXAGGSA-N 2 0 331.382 3.140 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000415026387 309115057 /nfs/dbraw/zinc/11/50/57/309115057.db2.gz UCZFKPNGKCYWQJ-MRXNPFEDSA-N 2 0 328.504 3.446 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000415030328 309115320 /nfs/dbraw/zinc/11/53/20/309115320.db2.gz FQBBYOSXSKHDOX-LPHOPBHVSA-N 2 0 347.466 3.151 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000415078095 309118692 /nfs/dbraw/zinc/11/86/92/309118692.db2.gz IGRYYUDSRWPOPP-KZNAEPCWSA-N 2 0 346.515 3.492 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000415086635 309119268 /nfs/dbraw/zinc/11/92/68/309119268.db2.gz JVRLDZCWGRDCEI-SLFFLAALSA-N 2 0 338.499 3.499 20 0 EGADRP COc1cccc(Oc2ncccc2C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000415088161 309119584 /nfs/dbraw/zinc/11/95/84/309119584.db2.gz UUQJSYUWXCFOPD-UHFFFAOYSA-N 2 0 327.428 3.242 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000415094544 309119886 /nfs/dbraw/zinc/11/98/86/309119886.db2.gz KIAADGJTJNSRFO-DVOMOZLQSA-N 2 0 338.293 3.369 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415098830 309120094 /nfs/dbraw/zinc/12/00/94/309120094.db2.gz FWEVXBGDKAFMSX-PXNSSMCTSA-N 2 0 326.488 3.332 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000415100740 309120455 /nfs/dbraw/zinc/12/04/55/309120455.db2.gz HETMYZHSIKDJBY-UPJWGTAASA-N 2 0 334.851 3.429 20 0 EGADRP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccccn1 ZINC000415119117 309121552 /nfs/dbraw/zinc/12/15/52/309121552.db2.gz WWRIVOWLVOGCGB-OAGGEKHMSA-N 2 0 342.512 3.258 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415122722 309121913 /nfs/dbraw/zinc/12/19/13/309121913.db2.gz KMLCQMIZMCACNY-ZTNFWEORSA-N 2 0 332.488 3.017 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415127570 309122397 /nfs/dbraw/zinc/12/23/97/309122397.db2.gz IRKZXCNUQUKKED-UHFFFAOYSA-N 2 0 337.511 3.387 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)C1 ZINC000415130580 309122505 /nfs/dbraw/zinc/12/25/05/309122505.db2.gz XHCVKWVFCNSSKO-FHSFFADKSA-N 2 0 336.426 3.196 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000415909193 309147600 /nfs/dbraw/zinc/14/76/00/309147600.db2.gz SDXOVXVNRIHCTJ-GOSISDBHSA-N 2 0 332.492 3.134 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000415929309 309149261 /nfs/dbraw/zinc/14/92/61/309149261.db2.gz HPUZGGYYXKTWER-INIZCTEOSA-N 2 0 332.492 3.182 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000415934253 309149642 /nfs/dbraw/zinc/14/96/42/309149642.db2.gz RDXVVCNIMSLQTG-INIZCTEOSA-N 2 0 332.492 3.182 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416152418 309160969 /nfs/dbraw/zinc/16/09/69/309160969.db2.gz WZKUTFKVQIZRCD-FQEVSTJZSA-N 2 0 339.483 3.422 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416160406 309161488 /nfs/dbraw/zinc/16/14/88/309161488.db2.gz XZUMRFUHVLBMJL-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000416977270 309188527 /nfs/dbraw/zinc/18/85/27/309188527.db2.gz CIYLJGMPQAVOEP-LJQANCHMSA-N 2 0 348.535 3.043 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312468 309201149 /nfs/dbraw/zinc/20/11/49/309201149.db2.gz NVHVFKRPTJNZIB-CIRFHOKZSA-N 2 0 334.529 3.331 20 0 EGADRP [NH3+]Cc1cc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000417824366 309224132 /nfs/dbraw/zinc/22/41/32/309224132.db2.gz LOGOIOUWWGYYLS-FZMZJTMJSA-N 2 0 329.366 3.010 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417906637 309227925 /nfs/dbraw/zinc/22/79/25/309227925.db2.gz CKQPMUSNSJOXCJ-RDJZCZTQSA-N 2 0 349.494 3.186 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417982209 309230537 /nfs/dbraw/zinc/23/05/37/309230537.db2.gz MXMMIJJORXBOMU-BDTNDASRSA-N 2 0 336.479 3.147 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000418661793 309252752 /nfs/dbraw/zinc/25/27/52/309252752.db2.gz QSKZEORTAFDARH-IBGZPJMESA-N 2 0 348.535 3.227 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000420295303 309279972 /nfs/dbraw/zinc/27/99/72/309279972.db2.gz CDQLRRWOIWFJBN-IBGZPJMESA-N 2 0 346.515 3.409 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1c1ccccc1 ZINC000420302501 309280567 /nfs/dbraw/zinc/28/05/67/309280567.db2.gz MKCBAKRCRUFOEE-GFRNBQLOSA-N 2 0 338.495 3.043 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000420304432 309280632 /nfs/dbraw/zinc/28/06/32/309280632.db2.gz OMBJEXJEIAKXER-KRWDZBQOSA-N 2 0 332.488 3.161 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000420305961 309280672 /nfs/dbraw/zinc/28/06/72/309280672.db2.gz QENOCOMUIHXTJX-IPJCAIGPSA-N 2 0 349.563 3.170 20 0 EGADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000420306618 309280742 /nfs/dbraw/zinc/28/07/42/309280742.db2.gz QOKQLHUJIIFJRC-BDTNDASRSA-N 2 0 338.495 3.371 20 0 EGADRP CCC[N@H+](CCOc1ccccc1Br)C1CC[NH2+]CC1 ZINC000420312015 309281116 /nfs/dbraw/zinc/28/11/16/309281116.db2.gz HNXXAFZWTIRGNL-UHFFFAOYSA-N 2 0 341.293 3.292 20 0 EGADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319337 309281906 /nfs/dbraw/zinc/28/19/06/309281906.db2.gz PFYRAPCHNLIECA-GOSISDBHSA-N 2 0 328.456 3.268 20 0 EGADRP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420320301 309282162 /nfs/dbraw/zinc/28/21/62/309282162.db2.gz BDDNEHGBNOVWAN-SJORKVTESA-N 2 0 341.455 3.172 20 0 EGADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420327515 309282663 /nfs/dbraw/zinc/28/26/63/309282663.db2.gz LKZQGYLJFWQPOO-GOSISDBHSA-N 2 0 344.499 3.002 20 0 EGADRP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420334939 309282871 /nfs/dbraw/zinc/28/28/71/309282871.db2.gz LNMZHLDCVRMTCU-OKILXGFUSA-N 2 0 328.378 3.016 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420346853 309283652 /nfs/dbraw/zinc/28/36/52/309283652.db2.gz ZGTXZTQFGJUIPM-GVDBMIGSSA-N 2 0 340.471 3.428 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1c(-c2ccccc2)nc2ccccn21 ZINC000420365003 309284342 /nfs/dbraw/zinc/28/43/42/309284342.db2.gz PSWXCEISXIPPRZ-GOSISDBHSA-N 2 0 334.467 3.479 20 0 EGADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420384227 309285552 /nfs/dbraw/zinc/28/55/52/309285552.db2.gz GFEQQHLNQDPXPW-AEFFLSMTSA-N 2 0 338.879 3.067 20 0 EGADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420384228 309285577 /nfs/dbraw/zinc/28/55/77/309285577.db2.gz GFEQQHLNQDPXPW-FUHWJXTLSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420385604 309285714 /nfs/dbraw/zinc/28/57/14/309285714.db2.gz TXFCBTFULZGKQE-PZJWPPBQSA-N 2 0 346.515 3.291 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000420410524 309286848 /nfs/dbraw/zinc/28/68/48/309286848.db2.gz XVWXDHZYMGOAQN-CTNGQTDRSA-N 2 0 338.499 3.453 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc4cc[nH]c43)CC2)CC1 ZINC000421370834 309321299 /nfs/dbraw/zinc/32/12/99/309321299.db2.gz IYRKPAZUEIVWHR-UHFFFAOYSA-N 2 0 340.515 3.160 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3coc4ccccc34)CC2)CC1 ZINC000421380047 309321609 /nfs/dbraw/zinc/32/16/09/309321609.db2.gz VGVNMQRFFMBUGA-UHFFFAOYSA-N 2 0 341.499 3.425 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421829214 309342050 /nfs/dbraw/zinc/34/20/50/309342050.db2.gz HBFTXORCENGUTQ-XJKSGUPXSA-N 2 0 330.875 3.357 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422715350 309364464 /nfs/dbraw/zinc/36/44/64/309364464.db2.gz JDZOECJSSVWPRO-NJDAHSKKSA-N 2 0 345.506 3.300 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422718248 309364556 /nfs/dbraw/zinc/36/45/56/309364556.db2.gz WUDFYTZQMYYYDY-APWZRJJASA-N 2 0 341.430 3.295 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422715352 309364648 /nfs/dbraw/zinc/36/46/48/309364648.db2.gz JDZOECJSSVWPRO-PWRODBHTSA-N 2 0 345.506 3.300 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](CC)c2ccccc2)CC[NH2+]CC1 ZINC000422719828 309364895 /nfs/dbraw/zinc/36/48/95/309364895.db2.gz ROLCLFZPHIDCOZ-IRXDYDNUSA-N 2 0 332.488 3.091 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](CC)c2ccccc2)CC[NH2+]CC1 ZINC000422719826 309364921 /nfs/dbraw/zinc/36/49/21/309364921.db2.gz ROLCLFZPHIDCOZ-DLBZAZTESA-N 2 0 332.488 3.091 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422722607 309365022 /nfs/dbraw/zinc/36/50/22/309365022.db2.gz PMBZIKDGLJLZDB-OALUTQOASA-N 2 0 337.458 3.179 20 0 EGADRP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422725611 309365075 /nfs/dbraw/zinc/36/50/75/309365075.db2.gz CAUMAQNCMWEYDF-PMACEKPBSA-N 2 0 329.532 3.191 20 0 EGADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000422735159 309365829 /nfs/dbraw/zinc/36/58/29/309365829.db2.gz DLOPFIGESVZFOL-HSALFYBXSA-N 2 0 341.499 3.340 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000422736655 309365897 /nfs/dbraw/zinc/36/58/97/309365897.db2.gz YNFUDCHQOLLWIW-PCCBWWKXSA-N 2 0 338.499 3.332 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000422746686 309366344 /nfs/dbraw/zinc/36/63/44/309366344.db2.gz OECBEGUMHUILAX-VIBAHUMZSA-N 2 0 337.458 3.078 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422762171 309367049 /nfs/dbraw/zinc/36/70/49/309367049.db2.gz RXMALDVGWBSWQD-UZLBHIALSA-N 2 0 336.483 3.283 20 0 EGADRP Clc1ccc(SCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422774753 309367800 /nfs/dbraw/zinc/36/78/00/309367800.db2.gz YJBGWTCBONXWPZ-BRWVUGGUSA-N 2 0 340.920 3.179 20 0 EGADRP CC[C@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422789856 309368386 /nfs/dbraw/zinc/36/83/86/309368386.db2.gz SQJRZOZGJKLXKQ-OALUTQOASA-N 2 0 335.923 3.425 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422793001 309368547 /nfs/dbraw/zinc/36/85/47/309368547.db2.gz FMKQNRXRBHVEJS-AEFFLSMTSA-N 2 0 344.499 3.247 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000422795165 309368674 /nfs/dbraw/zinc/36/86/74/309368674.db2.gz ZSJSIFOVNSUTDC-QRWLVFNGSA-N 2 0 326.488 3.111 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422808868 309369613 /nfs/dbraw/zinc/36/96/13/309369613.db2.gz OYLHKZVZTZHYCK-YPMHNXCESA-N 2 0 343.418 3.253 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000422818411 309370060 /nfs/dbraw/zinc/37/00/60/309370060.db2.gz KIOJMCJQPKVPAT-IPMKNSEASA-N 2 0 328.504 3.082 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000422821659 309370294 /nfs/dbraw/zinc/37/02/94/309370294.db2.gz XRWYCPUEYJHHTE-IRXDYDNUSA-N 2 0 341.421 3.385 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000422828797 309370759 /nfs/dbraw/zinc/37/07/59/309370759.db2.gz BHGPASSFQYTCCJ-OLZOCXBDSA-N 2 0 329.282 3.324 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422836560 309371062 /nfs/dbraw/zinc/37/10/62/309371062.db2.gz KIDBJHYRVKNRHI-QKYXUNIQSA-N 2 0 343.902 3.467 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842332 309371575 /nfs/dbraw/zinc/37/15/75/309371575.db2.gz YCOOFRKPCLPHQZ-YOEHRIQHSA-N 2 0 344.890 3.432 20 0 EGADRP CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422851270 309371972 /nfs/dbraw/zinc/37/19/72/309371972.db2.gz WSYBCVANRDAXMJ-ZDUSSCGKSA-N 2 0 329.444 3.107 20 0 EGADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422875859 309373193 /nfs/dbraw/zinc/37/31/93/309373193.db2.gz PPOLFCDOODIUFW-KTIPNOMGSA-N 2 0 330.516 3.442 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000422878229 309373439 /nfs/dbraw/zinc/37/34/39/309373439.db2.gz JRCWVJIPVYQWHQ-IUODEOHRSA-N 2 0 325.294 3.444 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422889804 309374413 /nfs/dbraw/zinc/37/44/13/309374413.db2.gz GWXLAKGRYJSDKJ-KBPBESRZSA-N 2 0 329.419 3.293 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CN[C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422893035 309374731 /nfs/dbraw/zinc/37/47/31/309374731.db2.gz OGOQAJDDOGXZRR-YLJYHZDGSA-N 2 0 333.520 3.027 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422899313 309374974 /nfs/dbraw/zinc/37/49/74/309374974.db2.gz HDGMUFNVXPNVJM-RDTXWAMCSA-N 2 0 329.419 3.491 20 0 EGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000422900088 309375090 /nfs/dbraw/zinc/37/50/90/309375090.db2.gz PUUFSDVXWRZQFS-IBGZPJMESA-N 2 0 345.531 3.121 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901315 309375197 /nfs/dbraw/zinc/37/51/97/309375197.db2.gz RXPRHKVCGZYKFB-CDXJDZJCSA-N 2 0 341.474 3.200 20 0 EGADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422902722 309375293 /nfs/dbraw/zinc/37/52/93/309375293.db2.gz VDWABXOAECWGGV-NJDAHSKKSA-N 2 0 346.515 3.155 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901284 309375295 /nfs/dbraw/zinc/37/52/95/309375295.db2.gz RVKFRTFAYYBNPY-GDBMZVCRSA-N 2 0 342.462 3.165 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000422918429 309376234 /nfs/dbraw/zinc/37/62/34/309376234.db2.gz IAJXVLJOMPSVIY-ZWKOTPCHSA-N 2 0 346.515 3.145 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422942837 309377288 /nfs/dbraw/zinc/37/72/88/309377288.db2.gz QGNMRBOCGCNYQG-QMMLZNLJSA-N 2 0 329.532 3.047 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)c2ccccc21 ZINC000422960763 309378444 /nfs/dbraw/zinc/37/84/44/309378444.db2.gz XQIZGLLNULKGFW-OALUTQOASA-N 2 0 335.451 3.090 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)c2ccccc21 ZINC000422960765 309378604 /nfs/dbraw/zinc/37/86/04/309378604.db2.gz XQIZGLLNULKGFW-RTBURBONSA-N 2 0 335.451 3.090 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423378816 309397826 /nfs/dbraw/zinc/39/78/26/309397826.db2.gz WQSXWBLVFGXXPE-LERXQTSPSA-N 2 0 329.257 3.379 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423009056 309380688 /nfs/dbraw/zinc/38/06/88/309380688.db2.gz BUYHGXSKZXTVEW-YTQUADARSA-N 2 0 329.492 3.062 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423013283 309380968 /nfs/dbraw/zinc/38/09/68/309380968.db2.gz MMIPWZCFMPJOTC-UZLBHIALSA-N 2 0 342.483 3.185 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029209 309381765 /nfs/dbraw/zinc/38/17/65/309381765.db2.gz HRYRLGCHVQRKEO-IAQYHMDHSA-N 2 0 336.277 3.190 20 0 EGADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423029747 309381845 /nfs/dbraw/zinc/38/18/45/309381845.db2.gz VIHWSHBRTCVPHW-JFTQMJAMSA-N 2 0 339.886 3.189 20 0 EGADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423045441 309382754 /nfs/dbraw/zinc/38/27/54/309382754.db2.gz SBBPVDMHEONVAO-PLOVASNDSA-N 2 0 344.499 3.426 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000423055282 309383446 /nfs/dbraw/zinc/38/34/46/309383446.db2.gz WCMZGWLQAVAYQL-WQZMEWCLSA-N 2 0 344.499 3.424 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423058988 309383648 /nfs/dbraw/zinc/38/36/48/309383648.db2.gz DQKVXASBHWFNLN-KBPBESRZSA-N 2 0 329.410 3.391 20 0 EGADRP CN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC000423060903 309383657 /nfs/dbraw/zinc/38/36/57/309383657.db2.gz PQRHZADVSDHPBZ-MTFMMBMASA-N 2 0 327.516 3.196 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423070687 309384312 /nfs/dbraw/zinc/38/43/12/309384312.db2.gz NKCVIEXCJROCAT-NWANDNLSSA-N 2 0 328.287 3.432 20 0 EGADRP CCOC1CC(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423073749 309384408 /nfs/dbraw/zinc/38/44/08/309384408.db2.gz SEYUFVIHJKRHPI-CCJHYTBNSA-N 2 0 330.472 3.037 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423393969 309398433 /nfs/dbraw/zinc/39/84/33/309398433.db2.gz ZBTPZTMDNAVDSO-UHIISALHSA-N 2 0 329.257 3.249 20 0 EGADRP CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423079565 309384759 /nfs/dbraw/zinc/38/47/59/309384759.db2.gz QYKVZXHLAJXCED-ARFHVFGLSA-N 2 0 335.458 3.161 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC(c2ccccc2)C1 ZINC000423079422 309384920 /nfs/dbraw/zinc/38/49/20/309384920.db2.gz AARHAZQDPRQZNJ-COPLXBQBSA-N 2 0 328.500 3.053 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423097921 309386005 /nfs/dbraw/zinc/38/60/05/309386005.db2.gz BRMXVRHUZDWUSU-MJGOQNOKSA-N 2 0 325.456 3.268 20 0 EGADRP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423130092 309387425 /nfs/dbraw/zinc/38/74/25/309387425.db2.gz YCRGMORFYLTPHZ-RRMPHLOHSA-N 2 0 336.435 3.008 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423135311 309387830 /nfs/dbraw/zinc/38/78/30/309387830.db2.gz NMOQIZNUAUUDOY-RHSMWYFYSA-N 2 0 334.533 3.032 20 0 EGADRP Clc1cccc([C@H]2CCC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)c1 ZINC000423176690 309389200 /nfs/dbraw/zinc/38/92/00/309389200.db2.gz COSTTXRLZYLBSL-HKUYNNGSSA-N 2 0 335.923 3.251 20 0 EGADRP CCC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423184545 309389439 /nfs/dbraw/zinc/38/94/39/309389439.db2.gz UGZHAAXXVNWILE-QGZVFWFLSA-N 2 0 343.437 3.432 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250015 309392397 /nfs/dbraw/zinc/39/23/97/309392397.db2.gz PURWBAHXHKYRSO-MEBBXXQBSA-N 2 0 327.241 3.165 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])CCC2 ZINC000423283431 309394027 /nfs/dbraw/zinc/39/40/27/309394027.db2.gz WDKOVXXBNSOVLP-QLFBSQMISA-N 2 0 334.460 3.249 20 0 EGADRP COc1ccc(C[C@@H]([NH2+]C[C@H](C)C[NH3+])c2ccc(OC)cc2)cc1 ZINC000423294079 309394372 /nfs/dbraw/zinc/39/43/72/309394372.db2.gz BGDLSVASSSZIKI-FOIQADDNSA-N 2 0 328.456 3.172 20 0 EGADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](C)C[NH3+])CCC3)cc1 ZINC000423297277 309394390 /nfs/dbraw/zinc/39/43/90/309394390.db2.gz JPOBBWNNWRXPQI-WFASDCNBSA-N 2 0 331.485 3.381 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000423306819 309394674 /nfs/dbraw/zinc/39/46/74/309394674.db2.gz MAUOLRMZEIBVQU-IRXDYDNUSA-N 2 0 349.544 3.299 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423326508 309395317 /nfs/dbraw/zinc/39/53/17/309395317.db2.gz KQNTYLBKBNOATC-HXUWFJFHSA-N 2 0 339.483 3.353 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000423339062 309396071 /nfs/dbraw/zinc/39/60/71/309396071.db2.gz RXTHDCKBMDLINY-FQEVSTJZSA-N 2 0 343.515 3.196 20 0 EGADRP COc1ccc(C[C@H]([NH2+]CCCC[NH3+])c2ccc(OC)cc2)cc1 ZINC000423346625 309396405 /nfs/dbraw/zinc/39/64/05/309396405.db2.gz YZJPVHFQMXXHPP-FQEVSTJZSA-N 2 0 328.456 3.316 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000423359926 309396946 /nfs/dbraw/zinc/39/69/46/309396946.db2.gz LEEPSPHGEYAXRG-OAGGEKHMSA-N 2 0 331.504 3.193 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+]2CCCC2)o1 ZINC000423363148 309396974 /nfs/dbraw/zinc/39/69/74/309396974.db2.gz BNFOOWGHGOCSCP-MAUKXSAKSA-N 2 0 341.455 3.175 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H](C)[NH3+] ZINC000423365903 309397144 /nfs/dbraw/zinc/39/71/44/309397144.db2.gz WWSKKTJFZOCPML-PXNSSMCTSA-N 2 0 345.531 3.298 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000423366629 309397402 /nfs/dbraw/zinc/39/74/02/309397402.db2.gz BWRQYJQHPXTWIV-LJQANCHMSA-N 2 0 339.483 3.455 20 0 EGADRP CCC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423390152 309398393 /nfs/dbraw/zinc/39/83/93/309398393.db2.gz OHPIGBGNTNGUHM-ZIAGYGMSSA-N 2 0 335.439 3.015 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000423401226 309398829 /nfs/dbraw/zinc/39/88/29/309398829.db2.gz XASPHSGQJWVDEL-GMXVVIOVSA-N 2 0 327.266 3.249 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000423408495 309398844 /nfs/dbraw/zinc/39/88/44/309398844.db2.gz OQQIYKHVCHJTBV-ZDUSSCGKSA-N 2 0 346.393 3.252 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)CC[NH2+]CC1 ZINC000423406681 309398942 /nfs/dbraw/zinc/39/89/42/309398942.db2.gz KZONNLABXBHDPS-ZDUSSCGKSA-N 2 0 339.549 3.416 20 0 EGADRP COCC1(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000423409376 309399066 /nfs/dbraw/zinc/39/90/66/309399066.db2.gz PVIBCWUSEYZKAD-GJZGRUSLSA-N 2 0 347.528 3.394 20 0 EGADRP COC[C@@]1(C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000423419960 309399639 /nfs/dbraw/zinc/39/96/39/309399639.db2.gz WTGBZEDUBTWGCT-PBHICJAKSA-N 2 0 344.421 3.385 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000423428305 309399983 /nfs/dbraw/zinc/39/99/83/309399983.db2.gz GJJVMVLDLCYYPB-TWOQFEAHSA-N 2 0 337.467 3.099 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423447181 309400817 /nfs/dbraw/zinc/40/08/17/309400817.db2.gz ZNMROBRXVHVYDB-WBMJQRKESA-N 2 0 325.294 3.414 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000423551861 309406038 /nfs/dbraw/zinc/40/60/38/309406038.db2.gz ULJBCXSUBHZWHY-REWJHTLYSA-N 2 0 338.879 3.396 20 0 EGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000423550875 309406084 /nfs/dbraw/zinc/40/60/84/309406084.db2.gz FZWZVHSOADWDGP-KRWDZBQOSA-N 2 0 347.572 3.101 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424155210 309431270 /nfs/dbraw/zinc/43/12/70/309431270.db2.gz MMOBFYCSQKUCHT-GOSISDBHSA-N 2 0 337.552 3.445 20 0 EGADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000429497616 309583030 /nfs/dbraw/zinc/58/30/30/309583030.db2.gz RHUJUPAKXCIGFN-INIZCTEOSA-N 2 0 337.467 3.232 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000431048250 309624373 /nfs/dbraw/zinc/62/43/73/309624373.db2.gz FDPBFESAGYTOTH-MOPGFXCFSA-N 2 0 335.536 3.055 20 0 EGADRP COC(=O)c1cc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)oc1C ZINC000432938922 309673728 /nfs/dbraw/zinc/67/37/28/309673728.db2.gz NBNVHZYUCCXJAI-AWEZNQCLSA-N 2 0 334.460 3.243 20 0 EGADRP Cc1ccc(C(F)(F)F)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433145039 309679912 /nfs/dbraw/zinc/67/99/12/309679912.db2.gz FFYMHECDUJZUTC-UHFFFAOYSA-N 2 0 343.393 3.156 20 0 EGADRP Cc1cccc([C@@H]2CCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)c1C ZINC000433170561 309680627 /nfs/dbraw/zinc/68/06/27/309680627.db2.gz XSVNUELRQWJWRT-FQEVSTJZSA-N 2 0 343.515 3.170 20 0 EGADRP Cc1ccc([C@@H](C)N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000433179403 309680934 /nfs/dbraw/zinc/68/09/34/309680934.db2.gz XYAGUKPVWHXJCN-QGZVFWFLSA-N 2 0 331.504 3.026 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436270696 309751302 /nfs/dbraw/zinc/75/13/02/309751302.db2.gz OYRLVPLJHZSQQT-UHFFFAOYSA-N 2 0 326.469 3.490 20 0 EGADRP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000443859882 309908719 /nfs/dbraw/zinc/90/87/19/309908719.db2.gz SSSRTWPIRZLFGP-UXHICEINSA-N 2 0 333.564 3.328 20 0 EGADRP c1ccc(C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cccnc2)nc1 ZINC000447556367 309982112 /nfs/dbraw/zinc/98/21/12/309982112.db2.gz GBOSSHGEMNVSAU-NRFANRHFSA-N 2 0 336.483 3.224 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000448234796 310000769 /nfs/dbraw/zinc/00/07/69/310000769.db2.gz RHQHYAPRCJZNGE-AHRSYUTCSA-N 2 0 337.467 3.028 20 0 EGADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000449178176 310042473 /nfs/dbraw/zinc/04/24/73/310042473.db2.gz UNGICSWDXZGRTH-INIZCTEOSA-N 2 0 329.488 3.040 20 0 EGADRP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)nc1 ZINC000449214712 310045129 /nfs/dbraw/zinc/04/51/29/310045129.db2.gz YWJRLXXYQVAUFZ-SFHVURJKSA-N 2 0 338.499 3.013 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449219591 310045444 /nfs/dbraw/zinc/04/54/44/310045444.db2.gz NWGWEODHCOQTIG-ICSRJNTNSA-N 2 0 349.950 3.278 20 0 EGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000449273507 310049295 /nfs/dbraw/zinc/04/92/95/310049295.db2.gz YXWHQSIOFCVAIJ-RCOXNQKVSA-N 2 0 328.500 3.239 20 0 EGADRP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000449578357 310073310 /nfs/dbraw/zinc/07/33/10/310073310.db2.gz KYQDZHFEGQRDFH-ONUIULTDSA-N 2 0 328.500 3.038 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000449747743 310084004 /nfs/dbraw/zinc/08/40/04/310084004.db2.gz YFJDGSBLHBQAJJ-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@@H](C)CCc2cccc(F)c2)CC1 ZINC000449747930 310084027 /nfs/dbraw/zinc/08/40/27/310084027.db2.gz YXNUTRUAOVDPTJ-KRWDZBQOSA-N 2 0 335.511 3.153 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000449747757 310084169 /nfs/dbraw/zinc/08/41/69/310084169.db2.gz YHOZLJUYXPJQRE-UHFFFAOYSA-N 2 0 331.529 3.407 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCc2cccs2)CC1 ZINC000450281539 310112854 /nfs/dbraw/zinc/11/28/54/310112854.db2.gz DISVTKZKNYJZKM-SFHVURJKSA-N 2 0 335.561 3.171 20 0 EGADRP CCc1ccc2[nH+]ccc(NCC3([NH+]4CCCC4)CCOCC3)c2c1 ZINC000450316209 310114897 /nfs/dbraw/zinc/11/48/97/310114897.db2.gz YNORYBPXHVNHBZ-UHFFFAOYSA-N 2 0 339.483 3.276 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450326634 310115735 /nfs/dbraw/zinc/11/57/35/310115735.db2.gz IIJHSWIKSUYAJU-KSZLIROESA-N 2 0 343.506 3.302 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000450363396 310117980 /nfs/dbraw/zinc/11/79/80/310117980.db2.gz IXEZJQDEMIEBLG-UHFFFAOYSA-N 2 0 339.483 3.488 20 0 EGADRP COc1cccc2c1ccnc2N1CCN(c2cc(C)ccn2)CC1 ZINC000450392953 310119842 /nfs/dbraw/zinc/11/98/42/310119842.db2.gz PHKXNFHXEAKHPO-UHFFFAOYSA-N 2 0 334.423 3.273 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453106936 310258285 /nfs/dbraw/zinc/25/82/85/310258285.db2.gz JXHRJBHAQKXTKJ-RTBURBONSA-N 2 0 336.907 3.362 20 0 EGADRP OCCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453106382 310258376 /nfs/dbraw/zinc/25/83/76/310258376.db2.gz YTLHQHNNIPOMLT-ZCNNSNEGSA-N 2 0 348.556 3.135 20 0 EGADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453126249 310259754 /nfs/dbraw/zinc/25/97/54/310259754.db2.gz OSIQVZNMRIYTKJ-VXCLMFOKSA-N 2 0 330.516 3.426 20 0 EGADRP OC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453217842 310264823 /nfs/dbraw/zinc/26/48/23/310264823.db2.gz UWQHAGHNPHYLOF-XUVXKRRUSA-N 2 0 328.500 3.324 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273171 310268353 /nfs/dbraw/zinc/26/83/53/310268353.db2.gz VLDVWESXWUEVPX-UTKZUKDTSA-N 2 0 339.483 3.246 20 0 EGADRP CO[C@H]1COCC[C@@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453334959 310271763 /nfs/dbraw/zinc/27/17/63/310271763.db2.gz XPQZPXUWBYOPQK-UEKLYDJUSA-N 2 0 346.515 3.071 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CCCC1 ZINC000453367621 310273146 /nfs/dbraw/zinc/27/31/46/310273146.db2.gz DKTBBDBTKYWNFS-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)COC1 ZINC000453389743 310274260 /nfs/dbraw/zinc/27/42/60/310274260.db2.gz XOBKCAJVWPBNGF-VAMGGRTRSA-N 2 0 328.500 3.446 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)nnn1-c1ccc(C)cc1 ZINC000453404803 310275211 /nfs/dbraw/zinc/27/52/11/310275211.db2.gz PYIMSGYSRFAMSZ-MRXNPFEDSA-N 2 0 341.503 3.409 20 0 EGADRP CCn1ccnc1[C@H](C)NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000455476228 310362663 /nfs/dbraw/zinc/36/26/63/310362663.db2.gz SPRNBMQUHABUEN-INIZCTEOSA-N 2 0 349.523 3.021 20 0 EGADRP CCN1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000455637353 310370708 /nfs/dbraw/zinc/37/07/08/310370708.db2.gz JFWUMIBIGOGQIF-ZWKOTPCHSA-N 2 0 339.886 3.204 20 0 EGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455931788 310382633 /nfs/dbraw/zinc/38/26/33/310382633.db2.gz PRFFLPRVGITHAB-KXBFYZLASA-N 2 0 344.503 3.089 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000492695896 311281331 /nfs/dbraw/zinc/28/13/31/311281331.db2.gz KHWCPKOEYQDLME-SJORKVTESA-N 2 0 337.508 3.064 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000492776812 311289962 /nfs/dbraw/zinc/28/99/62/311289962.db2.gz ZLXVZZHIZLYUNL-CVEARBPZSA-N 2 0 327.513 3.144 20 0 EGADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000493908898 311444335 /nfs/dbraw/zinc/44/43/35/311444335.db2.gz TUYXAVCUYDRRDI-DYESRHJHSA-N 2 0 342.483 3.493 20 0 EGADRP C[C@H](C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000494660850 311500629 /nfs/dbraw/zinc/50/06/29/311500629.db2.gz ZDCIDPOYZBEKGR-ZJIFWQFVSA-N 2 0 327.513 3.141 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000496654015 311744810 /nfs/dbraw/zinc/74/48/10/311744810.db2.gz GAWRGADFVGPMKO-UHFFFAOYSA-N 2 0 339.524 3.003 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497092156 311815659 /nfs/dbraw/zinc/81/56/59/311815659.db2.gz TUBRICKDJCNWBQ-HZPDHXFCSA-N 2 0 327.513 3.096 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000497153552 311826672 /nfs/dbraw/zinc/82/66/72/311826672.db2.gz WZLSENGIQMKQGK-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP CC1(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[NH2+]CC1 ZINC000497304039 311853167 /nfs/dbraw/zinc/85/31/67/311853167.db2.gz KIAVBSXFSZVPNU-QGZVFWFLSA-N 2 0 345.487 3.019 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507503577 312074995 /nfs/dbraw/zinc/07/49/95/312074995.db2.gz AOQQISKNDLMORR-PSWRPDDJSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507503576 312075059 /nfs/dbraw/zinc/07/50/59/312075059.db2.gz AOQQISKNDLMORR-FVTFTPSCSA-N 2 0 341.543 3.361 20 0 EGADRP CCC(C)(C)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000508977584 312106910 /nfs/dbraw/zinc/10/69/10/312106910.db2.gz MTGBRULKKJBOAL-UHFFFAOYSA-N 2 0 331.548 3.444 20 0 EGADRP CC(C)C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000511080161 312154231 /nfs/dbraw/zinc/15/42/31/312154231.db2.gz FUNRGLNPOLCRCG-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)c1 ZINC000512677721 312192076 /nfs/dbraw/zinc/19/20/76/312192076.db2.gz LJYLSJCIBKRGLV-BGYRXZFFSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000513079859 312201172 /nfs/dbraw/zinc/20/11/72/312201172.db2.gz BXPLODXRUNOLCO-OAGGEKHMSA-N 2 0 349.485 3.359 20 0 EGADRP Cc1n[nH]c(C)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513495477 312211515 /nfs/dbraw/zinc/21/15/15/312211515.db2.gz QFXSZZXFGXDXMK-DNVCBOLYSA-N 2 0 326.488 3.417 20 0 EGADRP CCC1CCC([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000513627031 312213802 /nfs/dbraw/zinc/21/38/02/312213802.db2.gz JIFGNGTXAWYZHD-UHFFFAOYSA-N 2 0 329.532 3.492 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000514074237 312223935 /nfs/dbraw/zinc/22/39/35/312223935.db2.gz KQTYQIZWSXOZCI-QGZVFWFLSA-N 2 0 343.506 3.302 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000514233732 312228504 /nfs/dbraw/zinc/22/85/04/312228504.db2.gz DPDCCZDWJTVPQA-CHMLTUNVSA-N 2 0 336.479 3.446 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1[NH2+]CCc2ccccc21 ZINC000515060296 312263423 /nfs/dbraw/zinc/26/34/23/312263423.db2.gz FZQAMIVPRCXBFP-NRFANRHFSA-N 2 0 349.478 3.150 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000515487496 312285105 /nfs/dbraw/zinc/28/51/05/312285105.db2.gz WLRSAFLWFAGCQI-KRWDZBQOSA-N 2 0 337.552 3.255 20 0 EGADRP CN(CC[NH+]1CCN(c2ccccc2)CC1)c1cc[nH+]c2ccccc21 ZINC000523104871 312609343 /nfs/dbraw/zinc/60/93/43/312609343.db2.gz OJEUJSLKPQTUBV-UHFFFAOYSA-N 2 0 346.478 3.493 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000527858464 312959612 /nfs/dbraw/zinc/95/96/12/312959612.db2.gz KMRJPSQJKZHVOL-RLFYNMQTSA-N 2 0 331.479 3.417 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528356674 313072718 /nfs/dbraw/zinc/07/27/18/313072718.db2.gz PUALVSDHRMIXED-HXUWFJFHSA-N 2 0 336.495 3.437 20 0 EGADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000529528696 313344516 /nfs/dbraw/zinc/34/45/16/313344516.db2.gz KCCCMTKGTWPTNR-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP COc1cc2c(cc1C[NH+]1CCC(CC[NH+](C)C)CC1)O[C@H](C)C2 ZINC000536646817 314133925 /nfs/dbraw/zinc/13/39/25/314133925.db2.gz NYRNAKANLKHVPG-OAHLLOKOSA-N 2 0 332.488 3.182 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1(C)C ZINC000537288654 314172162 /nfs/dbraw/zinc/17/21/62/314172162.db2.gz LYIKZPNUOJPVSV-SLFFLAALSA-N 2 0 330.516 3.344 20 0 EGADRP CC(C)[C@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+](C)C ZINC000537704375 314203815 /nfs/dbraw/zinc/20/38/15/314203815.db2.gz NCEZVHNHLDFJJT-HXUWFJFHSA-N 2 0 345.531 3.486 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000540143501 314365313 /nfs/dbraw/zinc/36/53/13/314365313.db2.gz HFEKYEPDIMSIFD-IAQYHMDHSA-N 2 0 329.257 3.061 20 0 EGADRP C[C@H]([NH2+]CCOc1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000540173146 314367715 /nfs/dbraw/zinc/36/77/15/314367715.db2.gz FCBCIOMNILHDAM-INIZCTEOSA-N 2 0 346.446 3.496 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000549747611 315103014 /nfs/dbraw/zinc/10/30/14/315103014.db2.gz BCMJWWUNAMIRFJ-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1ccc2nc(C[NH2+]CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cn2c1 ZINC000551200098 315144953 /nfs/dbraw/zinc/14/49/53/315144953.db2.gz KLTOQVROVMZQJA-QZTJIDSGSA-N 2 0 328.504 3.490 20 0 EGADRP Cc1ccc2nc(C[NH2+]CC3CC[NH+](CCC(C)C)CC3)cn2c1 ZINC000551592070 315160009 /nfs/dbraw/zinc/16/00/09/315160009.db2.gz GLYBIIPRAPGTSZ-UHFFFAOYSA-N 2 0 328.504 3.490 20 0 EGADRP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000554349140 315312099 /nfs/dbraw/zinc/31/20/99/315312099.db2.gz JYRJQYWSHRRGAQ-RTWAWAEBSA-N 2 0 329.532 3.363 20 0 EGADRP c1c(C[NH2+][C@H]2CCC[NH2+]CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000556939338 315485222 /nfs/dbraw/zinc/48/52/22/315485222.db2.gz WDFXDRPPEWWQMJ-IBGZPJMESA-N 2 0 347.466 3.166 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000559257672 315624274 /nfs/dbraw/zinc/62/42/74/315624274.db2.gz LQAUJKJEDSNTLL-JSGCOSHPSA-N 2 0 325.294 3.236 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000561479003 315765206 /nfs/dbraw/zinc/76/52/06/315765206.db2.gz CEPDBZNKOLRRKI-MXNKGDRCSA-N 2 0 343.559 3.432 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000562959462 315929901 /nfs/dbraw/zinc/92/99/01/315929901.db2.gz SFLLDWYCMDANFB-JXFKEZNVSA-N 2 0 328.456 3.474 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000563056399 315951409 /nfs/dbraw/zinc/95/14/09/315951409.db2.gz FUKRTEKVKDCWOC-QFBILLFUSA-N 2 0 347.503 3.253 20 0 EGADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000563351431 316003613 /nfs/dbraw/zinc/00/36/13/316003613.db2.gz ZNTWUZDXVQBDOZ-OCBCSQNSSA-N 2 0 343.858 3.301 20 0 EGADRP CCc1ccccc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000563944123 316095359 /nfs/dbraw/zinc/09/53/59/316095359.db2.gz CRRLVETYQGOPNA-WCRBZPEASA-N 2 0 330.516 3.365 20 0 EGADRP CC1CCC(O)(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000564375447 316143428 /nfs/dbraw/zinc/14/34/28/316143428.db2.gz ALMUXBHIFDOQMB-IITXJAJYSA-N 2 0 342.527 3.382 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000565115511 316269029 /nfs/dbraw/zinc/26/90/29/316269029.db2.gz IANOCHNLXCEROC-YHELAOLJSA-N 2 0 329.532 3.184 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000565526487 316335598 /nfs/dbraw/zinc/33/55/98/316335598.db2.gz WQFQJROTMBWRTB-HXUWFJFHSA-N 2 0 347.466 3.163 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)c1 ZINC000566165901 316430579 /nfs/dbraw/zinc/43/05/79/316430579.db2.gz MFJQCKRFQARNQU-LJQANCHMSA-N 2 0 339.483 3.427 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000568248520 316749135 /nfs/dbraw/zinc/74/91/35/316749135.db2.gz TYCLZTIIHSJMGI-MMTROXRISA-N 2 0 332.488 3.171 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000568710340 316810038 /nfs/dbraw/zinc/81/00/38/316810038.db2.gz GDVSBJKXLRBXQY-INIZCTEOSA-N 2 0 325.541 3.266 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000570237101 317026533 /nfs/dbraw/zinc/02/65/33/317026533.db2.gz ZEDYALMXMVEQSJ-LJQANCHMSA-N 2 0 346.515 3.257 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](SCCCN3CCOCC3)C2)cc1 ZINC000570842999 317115853 /nfs/dbraw/zinc/11/58/53/317115853.db2.gz UJGDOSQEEVDMKO-IBGZPJMESA-N 2 0 334.529 3.107 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000571175379 317162367 /nfs/dbraw/zinc/16/23/67/317162367.db2.gz GKANBNUHKADKDO-IXDOHACOSA-N 2 0 344.421 3.244 20 0 EGADRP [NH3+]CC1(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCC1 ZINC000571651952 317228808 /nfs/dbraw/zinc/22/88/08/317228808.db2.gz KIEYIUZPYKYGIW-UHFFFAOYSA-N 2 0 344.503 3.108 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000571789569 317248302 /nfs/dbraw/zinc/24/83/02/317248302.db2.gz RRZLQTDFNQLFBF-KXBFYZLASA-N 2 0 329.488 3.293 20 0 EGADRP CCc1ccc(-c2noc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000571992475 317276001 /nfs/dbraw/zinc/27/60/01/317276001.db2.gz CLKFRXHKDDXFNK-OAHLLOKOSA-N 2 0 340.471 3.263 20 0 EGADRP COc1ccc2c(c1)CCC[N@@H+](C[C@H](C[NH3+])c1ccc(F)cc1)C2 ZINC000572593996 317361545 /nfs/dbraw/zinc/36/15/45/317361545.db2.gz PSQDDXYTRXNKII-SFHVURJKSA-N 2 0 328.431 3.325 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000573958375 317546555 /nfs/dbraw/zinc/54/65/55/317546555.db2.gz GSHYJAMXEBZWFZ-CABCVRRESA-N 2 0 337.533 3.025 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000177902068 323347659 /nfs/dbraw/zinc/34/76/59/323347659.db2.gz VLGQSQYHWCALLZ-XJKCOSOUSA-N 2 0 330.394 3.403 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccoc1 ZINC000177924705 323348062 /nfs/dbraw/zinc/34/80/62/323348062.db2.gz SXWNCXWAHWGZSW-YLJYHZDGSA-N 2 0 327.472 3.309 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccoc3)cc2)CC1 ZINC000178132960 323351761 /nfs/dbraw/zinc/35/17/61/323351761.db2.gz WXQNOBLPFOHKPZ-KRWDZBQOSA-N 2 0 327.472 3.268 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000180792900 323455541 /nfs/dbraw/zinc/45/55/41/323455541.db2.gz CRYBTUFVAZUQTP-UHFFFAOYSA-N 2 0 337.533 3.181 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382455345 324250601 /nfs/dbraw/zinc/25/06/01/324250601.db2.gz QGIAWAGXAYOXCJ-DOTOQJQBSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385799539 324263546 /nfs/dbraw/zinc/26/35/46/324263546.db2.gz DZCDFZUBHWQKLI-QFBILLFUSA-N 2 0 338.451 3.416 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386401418 324268122 /nfs/dbraw/zinc/26/81/22/324268122.db2.gz HBPIKUBYRFZDHE-HZPDHXFCSA-N 2 0 327.513 3.096 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000390860279 324284837 /nfs/dbraw/zinc/28/48/37/324284837.db2.gz FAHRHBJPBAPVNQ-HXUWFJFHSA-N 2 0 329.532 3.363 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495122360 324376969 /nfs/dbraw/zinc/37/69/69/324376969.db2.gz KCKYNUAQRMAHKT-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000576640062 324653997 /nfs/dbraw/zinc/65/39/97/324653997.db2.gz OXTMPDLECOGZQA-YJBOKZPZSA-N 2 0 349.544 3.102 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c2nccn21 ZINC000578850717 325027861 /nfs/dbraw/zinc/02/78/61/325027861.db2.gz MEOVWSCZNXGUQE-BVGQSLNGSA-N 2 0 349.438 3.041 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000579255112 325085909 /nfs/dbraw/zinc/08/59/09/325085909.db2.gz NRSQXPRTLDCBEJ-WOJBJXKFSA-N 2 0 346.515 3.072 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1cc2ccccc2o1 ZINC000580202303 325217933 /nfs/dbraw/zinc/21/79/33/325217933.db2.gz WPGYSHIFTZVSIL-GJZGRUSLSA-N 2 0 343.471 3.059 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCCC[NH2+]3)cc2)C1 ZINC000580314848 325233892 /nfs/dbraw/zinc/23/38/92/325233892.db2.gz KWEZNMQAXAXQBV-QFBILLFUSA-N 2 0 329.488 3.389 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000580808504 325297699 /nfs/dbraw/zinc/29/76/99/325297699.db2.gz WNCKZZCOYCBMLP-UHFFFAOYSA-N 2 0 346.515 3.251 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000581070074 325326593 /nfs/dbraw/zinc/32/65/93/325326593.db2.gz YFLCFRVVFCAPAW-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)COc3ccccc3)CC2)CC1 ZINC000581543915 325370413 /nfs/dbraw/zinc/37/04/13/325370413.db2.gz ZTTKHXGRUDFZFQ-SOAGJPPSSA-N 2 0 346.515 3.059 20 0 EGADRP C[C@@H](C[NH2+]CCCc1c(Cl)cccc1Cl)CN1CCOCC1 ZINC000428280228 458111954 /nfs/dbraw/zinc/11/19/54/458111954.db2.gz FPDGWMDYZFFBEX-AWEZNQCLSA-N 2 0 345.314 3.484 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000237926020 455235175 /nfs/dbraw/zinc/23/51/75/455235175.db2.gz SRISUTXOWDNICC-FQEVSTJZSA-N 2 0 343.515 3.191 20 0 EGADRP Oc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000237965995 455238863 /nfs/dbraw/zinc/23/88/63/455238863.db2.gz CYMPBBWJTAKVAG-UHFFFAOYSA-N 2 0 339.483 3.084 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2sc(C)nc2C)[C@H](C)C1 ZINC000157931634 455250525 /nfs/dbraw/zinc/25/05/25/455250525.db2.gz BCHDKKBFWXNJCE-PBHICJAKSA-N 2 0 339.549 3.029 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000183225844 455255193 /nfs/dbraw/zinc/25/51/93/455255193.db2.gz FWQMDDHJNAUDBL-QLIIJSOBSA-N 2 0 344.499 3.235 20 0 EGADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCC[C@H]3c3ccc[nH]3)c2cc1C ZINC000239667445 455262759 /nfs/dbraw/zinc/26/27/59/455262759.db2.gz BQCZRXKJZZQRRZ-LPHOPBHVSA-N 2 0 338.455 3.179 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173313307 455263749 /nfs/dbraw/zinc/26/37/49/455263749.db2.gz IFFTZYJLIVRNCG-AWEZNQCLSA-N 2 0 343.437 3.382 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000183278476 455268653 /nfs/dbraw/zinc/26/86/53/455268653.db2.gz DSCDFZMPUXADJY-UHFFFAOYSA-N 2 0 348.878 3.397 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000264693345 455264686 /nfs/dbraw/zinc/26/46/86/455264686.db2.gz FHZPOFIFUXTXBO-MSOLQXFVSA-N 2 0 345.531 3.134 20 0 EGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000605374286 460573113 /nfs/dbraw/zinc/57/31/13/460573113.db2.gz VFFSOCKTCYQFBZ-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)c2)nc1 ZINC000631890078 460589394 /nfs/dbraw/zinc/58/93/94/460589394.db2.gz LZGPKANBJQLHIP-RXVVDRJESA-N 2 0 337.467 3.235 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000030907237 453841595 /nfs/dbraw/zinc/84/15/95/453841595.db2.gz SMOASFUUSSKSLE-INIZCTEOSA-N 2 0 342.462 3.202 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000081333273 453862080 /nfs/dbraw/zinc/86/20/80/453862080.db2.gz DOLIXAKBAUSPRO-ICSRJNTNSA-N 2 0 345.531 3.260 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075502612 453898313 /nfs/dbraw/zinc/89/83/13/453898313.db2.gz PEGJOVRBVXCVTJ-GOSISDBHSA-N 2 0 344.503 3.088 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000075968455 453943853 /nfs/dbraw/zinc/94/38/53/453943853.db2.gz HSDVWUVNXNRTDL-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523508 454064707 /nfs/dbraw/zinc/06/47/07/454064707.db2.gz NKBNAKZARZEHNX-FQEVSTJZSA-N 2 0 345.531 3.260 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000077281033 454085101 /nfs/dbraw/zinc/08/51/01/454085101.db2.gz MAUGLOALXVPXGK-UHFFFAOYSA-N 2 0 342.487 3.331 20 0 EGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCO2 ZINC000089214775 454127144 /nfs/dbraw/zinc/12/71/44/454127144.db2.gz INISUAFJLOWXKK-HNNXBMFYSA-N 2 0 339.439 3.378 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)n1 ZINC000089551298 454161865 /nfs/dbraw/zinc/16/18/65/454161865.db2.gz CXLRCLWGGHUCPZ-RLFYNMQTSA-N 2 0 342.487 3.160 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000089555887 454161958 /nfs/dbraw/zinc/16/19/58/454161958.db2.gz HUCJLJIOSFUTQB-CJNGLKHVSA-N 2 0 348.878 3.252 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000058444156 454204670 /nfs/dbraw/zinc/20/46/70/454204670.db2.gz CUOBJRCQCPTXTQ-QZTJIDSGSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096003530 454260616 /nfs/dbraw/zinc/26/06/16/454260616.db2.gz YKDVPLKSZMDAST-NQIIRXRSSA-N 3 0 329.532 3.219 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)C ZINC000090028707 454264493 /nfs/dbraw/zinc/26/44/93/454264493.db2.gz BYRRHZGOWDDDAC-LJQANCHMSA-N 2 0 331.504 3.036 20 0 EGADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028609 454265050 /nfs/dbraw/zinc/26/50/50/454265050.db2.gz JFLGAXQMSZEFQD-SJORKVTESA-N 2 0 331.504 3.036 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044594 454265411 /nfs/dbraw/zinc/26/54/11/454265411.db2.gz BHOXZBXGJFLTEO-YCPHGPKFSA-N 2 0 330.501 3.066 20 0 EGADRP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC[C@H]1CCCC[NH+]1C ZINC000072725132 454333444 /nfs/dbraw/zinc/33/34/44/454333444.db2.gz FHVYAEPHVSCNCH-QGZVFWFLSA-N 2 0 339.430 3.100 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000132413752 454336231 /nfs/dbraw/zinc/33/62/31/454336231.db2.gz GQXYDGIQLDQGLF-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP CC(C)C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000090937211 454353412 /nfs/dbraw/zinc/35/34/12/454353412.db2.gz DPTQLUGTGJFYBV-LJQANCHMSA-N 2 0 342.487 3.294 20 0 EGADRP CN(c1ccccc1C[NH2+]CCc1ccco1)C1CC[NH+](C)CC1 ZINC000132741503 454361611 /nfs/dbraw/zinc/36/16/11/454361611.db2.gz NTJJWJDPQYURNY-UHFFFAOYSA-N 2 0 327.472 3.142 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000121356867 454425169 /nfs/dbraw/zinc/42/51/69/454425169.db2.gz VTGTVYHKWMRSPQ-DNVCBOLYSA-N 2 0 335.923 3.191 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000047978418 454427293 /nfs/dbraw/zinc/42/72/93/454427293.db2.gz BAZVMZADYVLHPD-FQEVSTJZSA-N 2 0 348.531 3.097 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000047978790 454428846 /nfs/dbraw/zinc/42/88/46/454428846.db2.gz NGDGJAACFOHJJG-UHFFFAOYSA-N 2 0 335.467 3.208 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073611396 454457462 /nfs/dbraw/zinc/45/74/62/454457462.db2.gz BAMUSPXHCIPWGS-UHFFFAOYSA-N 2 0 326.444 3.287 20 0 EGADRP CC[N@H+](CCNC(=O)NCc1ccccc1C[NH+](C)C(C)C)C(C)C ZINC000102552526 454508736 /nfs/dbraw/zinc/50/87/36/454508736.db2.gz FGWHNPUHBCFRMP-UHFFFAOYSA-N 2 0 348.535 3.056 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000122296337 454520948 /nfs/dbraw/zinc/52/09/48/454520948.db2.gz GWAZSPRSCCPEIR-FQEVSTJZSA-N 2 0 346.515 3.318 20 0 EGADRP CCOC(=O)CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103142880 454540385 /nfs/dbraw/zinc/54/03/85/454540385.db2.gz OGVVTRDPQPGWMB-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+](C)C)cc1 ZINC000065476709 454573639 /nfs/dbraw/zinc/57/36/39/454573639.db2.gz OJBROINBLKEMLG-LJQANCHMSA-N 2 0 348.535 3.016 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000123197723 454614540 /nfs/dbraw/zinc/61/45/40/454614540.db2.gz YBSLKHBEBIZRBZ-HYVNUMGLSA-N 2 0 337.508 3.039 20 0 EGADRP C[C@@H](N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000635004043 460646236 /nfs/dbraw/zinc/64/62/36/460646236.db2.gz MSUNQOYFIDOGDF-UHOFOFEASA-N 2 0 329.410 3.038 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000161589332 454705476 /nfs/dbraw/zinc/70/54/76/454705476.db2.gz QGZFALBOQAYASX-QGZVFWFLSA-N 3 0 333.520 3.152 20 0 EGADRP C[C@H](C[NH2+][C@H](c1cccs1)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000093405143 454712790 /nfs/dbraw/zinc/71/27/90/454712790.db2.gz VZTUOUUSWVWKTP-APWZRJJASA-N 2 0 335.561 3.453 20 0 EGADRP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000161779153 454722101 /nfs/dbraw/zinc/72/21/01/454722101.db2.gz LZCWHJQNTJXFRB-UHFFFAOYSA-N 2 0 331.504 3.064 20 0 EGADRP CCc1noc(C2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)n1 ZINC000635006020 460650255 /nfs/dbraw/zinc/65/02/55/460650255.db2.gz AODDKCFTXNJEGB-UHFFFAOYSA-N 2 0 340.471 3.094 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000635006760 460650760 /nfs/dbraw/zinc/65/07/60/460650760.db2.gz SMYUUNAQQRBJNS-MSEOUXRUSA-N 3 0 341.543 3.394 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008653 460651201 /nfs/dbraw/zinc/65/12/01/460651201.db2.gz GDEKNSVJYRCDQC-UTKZUKDTSA-N 2 0 335.495 3.257 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000162144615 454754279 /nfs/dbraw/zinc/75/42/79/454754279.db2.gz QAVGDYOZBSXUEW-WAOWUJCRSA-N 2 0 329.532 3.278 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000153044275 454755896 /nfs/dbraw/zinc/75/58/96/454755896.db2.gz MYSJWXPYFUVQEZ-HOTGVXAUSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000138493458 454793229 /nfs/dbraw/zinc/79/32/29/454793229.db2.gz VWFMYDPXTCTNRD-SFHVURJKSA-N 2 0 326.488 3.437 20 0 EGADRP C[NH+](C)CCCCCCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000140176806 454817191 /nfs/dbraw/zinc/81/71/91/454817191.db2.gz DSNVOVIQNJIAAP-LJQANCHMSA-N 2 0 348.535 3.101 20 0 EGADRP C[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153677747 454820402 /nfs/dbraw/zinc/82/04/02/454820402.db2.gz XYFINRKVGOZZOZ-PKOBYXMFSA-N 2 0 345.531 3.295 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000635013716 460655612 /nfs/dbraw/zinc/65/56/12/460655612.db2.gz VKHOHUYHZNUPHY-MNOVXSKESA-N 2 0 326.400 3.107 20 0 EGADRP COc1cc(CN2CC[C@@H](C[NH+](C)C)C2)ccc1OCC(F)(F)F ZINC000125501756 454827802 /nfs/dbraw/zinc/82/78/02/454827802.db2.gz BRWZQQUZNOVGRD-AWEZNQCLSA-N 2 0 346.393 3.020 20 0 EGADRP CCCc1cc(N2CCN(Cc3ccon3)CC2)c2ccccc2[nH+]1 ZINC000125578808 454833001 /nfs/dbraw/zinc/83/30/01/454833001.db2.gz RTAYNCVTPUHNQI-UHFFFAOYSA-N 2 0 336.439 3.498 20 0 EGADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000177301850 454849136 /nfs/dbraw/zinc/84/91/36/454849136.db2.gz KVXWKNCXCFXYLH-UWJYYQICSA-N 2 0 341.474 3.141 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1=O ZINC000177426532 454862728 /nfs/dbraw/zinc/86/27/28/454862728.db2.gz VJMOVUBXYSAYLG-YLJYHZDGSA-N 2 0 343.515 3.160 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000164586023 454885305 /nfs/dbraw/zinc/88/53/05/454885305.db2.gz AVAFDVZXFMCIKM-AHRSYUTCSA-N 2 0 343.515 3.195 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000166052657 454907523 /nfs/dbraw/zinc/90/75/23/454907523.db2.gz VDIDPKVBDUXTTM-XJKSGUPXSA-N 2 0 343.309 3.457 20 0 EGADRP CN(CC[N@H+](C)Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000126425123 454892917 /nfs/dbraw/zinc/89/29/17/454892917.db2.gz XBKWDRDHXPHFTF-UHFFFAOYSA-N 2 0 343.437 3.163 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000154548944 454906509 /nfs/dbraw/zinc/90/65/09/454906509.db2.gz YNXQKPZRTUGVIR-LJQANCHMSA-N 2 0 331.504 3.196 20 0 EGADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177890296 454917363 /nfs/dbraw/zinc/91/73/63/454917363.db2.gz CCHWCABTVGBOFU-OKZBNKHCSA-N 2 0 334.504 3.201 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150956451 454917929 /nfs/dbraw/zinc/91/79/29/454917929.db2.gz SJEIGZJPUALEQZ-AWEZNQCLSA-N 2 0 338.565 3.252 20 0 EGADRP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000151020555 454926263 /nfs/dbraw/zinc/92/62/63/454926263.db2.gz QWDJIDVLYPCDOF-LPHOPBHVSA-N 2 0 337.458 3.128 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000154928841 454944294 /nfs/dbraw/zinc/94/42/94/454944294.db2.gz CLBFRGSBHMUHHS-RHSMWYFYSA-N 2 0 339.911 3.025 20 0 EGADRP O=C(CC1CC[NH2+]CC1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178742046 454971727 /nfs/dbraw/zinc/97/17/27/454971727.db2.gz WMEPDOKCBKUCNA-UHFFFAOYSA-N 2 0 329.488 3.391 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@H](C)C1 ZINC000127999340 455017051 /nfs/dbraw/zinc/01/70/51/455017051.db2.gz YGMMOKWMEAUPJP-QAPCUYQASA-N 2 0 332.492 3.036 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000155718714 455035768 /nfs/dbraw/zinc/03/57/68/455035768.db2.gz JFMAWRULZYGGTP-MSOLQXFVSA-N 2 0 329.532 3.242 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(C(F)(F)F)c1 ZINC000151852837 455040018 /nfs/dbraw/zinc/04/00/18/455040018.db2.gz QKBWLGVZCAKGBE-ZDUSSCGKSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155840131 455051996 /nfs/dbraw/zinc/05/19/96/455051996.db2.gz ZRDFPYZBBPCXBP-FPOVZHCZSA-N 2 0 346.563 3.391 20 0 EGADRP C[C@H]1CC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000128505364 455062622 /nfs/dbraw/zinc/06/26/22/455062622.db2.gz MXJVUDNKDZKNRT-IRXDYDNUSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000155998168 455070684 /nfs/dbraw/zinc/07/06/84/455070684.db2.gz HROCCSVKITVFRV-GOSISDBHSA-N 2 0 333.520 3.010 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000156856345 455153623 /nfs/dbraw/zinc/15/36/23/455153623.db2.gz BSZRWNAVFLOSAU-UHFFFAOYSA-N 2 0 346.450 3.272 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H](C)C2 ZINC000180452958 455172622 /nfs/dbraw/zinc/17/26/22/455172622.db2.gz BYBHXMKKGJCCTM-DYESRHJHSA-N 2 0 329.532 3.092 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000237344446 455175664 /nfs/dbraw/zinc/17/56/64/455175664.db2.gz UBCYUZJDLNSHDD-OAHLLOKOSA-N 2 0 341.455 3.043 20 0 EGADRP CC(C)N(C(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000157448091 455195588 /nfs/dbraw/zinc/19/55/88/455195588.db2.gz KVZVESAPFVCBDI-GOSISDBHSA-N 2 0 335.536 3.116 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(F)ccc1F ZINC000180642232 455216457 /nfs/dbraw/zinc/21/64/57/455216457.db2.gz MIEKCFLHVHMIGC-KSSFIOAISA-N 2 0 346.421 3.382 20 0 EGADRP CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000183053366 455217183 /nfs/dbraw/zinc/21/71/83/455217183.db2.gz AQONMSNMMLFCFI-JKSUJKDBSA-N 2 0 349.544 3.198 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@H](C)C2 ZINC000181034964 455279088 /nfs/dbraw/zinc/27/90/88/455279088.db2.gz RUCXXFZTSVXHMT-IERDGZPVSA-N 2 0 339.483 3.354 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181501520 455345627 /nfs/dbraw/zinc/34/56/27/455345627.db2.gz KVJVLUSUDLDPOX-CVEARBPZSA-N 2 0 345.487 3.118 20 0 EGADRP COc1ccnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1OC ZINC000190938166 455409673 /nfs/dbraw/zinc/40/96/73/455409673.db2.gz YYCDXKKKYZEHHR-UHFFFAOYSA-N 2 0 347.503 3.187 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000246291541 455465166 /nfs/dbraw/zinc/46/51/66/455465166.db2.gz NIKMAINPTNYCLT-LMMKCTJWSA-N 2 0 345.531 3.339 20 0 EGADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000182248601 455471723 /nfs/dbraw/zinc/47/17/23/455471723.db2.gz KZYPREAMJCCPJH-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000191488443 455489897 /nfs/dbraw/zinc/48/98/97/455489897.db2.gz QHHGYDZPMWSMMZ-UHFFFAOYSA-N 2 0 343.397 3.110 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000247265310 455580883 /nfs/dbraw/zinc/58/08/83/455580883.db2.gz ZMXNAUVZWJZFEP-DBVUQKKJSA-N 2 0 334.504 3.219 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000182762127 455582431 /nfs/dbraw/zinc/58/24/31/455582431.db2.gz DKOFYGNDRPGGEF-UHFFFAOYSA-N 2 0 331.504 3.459 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000182759492 455582579 /nfs/dbraw/zinc/58/25/79/455582579.db2.gz KXYAJGFZJSNXAN-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708362 455602204 /nfs/dbraw/zinc/60/22/04/455602204.db2.gz SEVKRNZLZHXBJN-TYILLQQXSA-N 2 0 338.442 3.241 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000268152602 455604477 /nfs/dbraw/zinc/60/44/77/455604477.db2.gz RTACOSSRFPWYSS-IBGZPJMESA-N 2 0 347.478 3.351 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192438244 455616426 /nfs/dbraw/zinc/61/64/26/455616426.db2.gz GOLBHUZOPGGIML-UHFFFAOYSA-N 2 0 332.488 3.350 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000185797153 455624457 /nfs/dbraw/zinc/62/44/57/455624457.db2.gz QRQXJIGUIQANMX-UHFFFAOYSA-N 2 0 344.499 3.174 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)s1 ZINC000284215897 455653527 /nfs/dbraw/zinc/65/35/27/455653527.db2.gz ZTCZLRAMXUAJQB-UHFFFAOYSA-N 2 0 331.485 3.214 20 0 EGADRP CC(C)CN1CCO[C@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247977871 455664586 /nfs/dbraw/zinc/66/45/86/455664586.db2.gz LOZXCDGDPRFGKH-GDBMZVCRSA-N 2 0 333.501 3.304 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000268412097 455676569 /nfs/dbraw/zinc/67/65/69/455676569.db2.gz IGQZAFGNRMMSDU-UHFFFAOYSA-N 2 0 347.890 3.213 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000192741519 455682977 /nfs/dbraw/zinc/68/29/77/455682977.db2.gz SOZAFGXUZWRWMZ-PZJWPPBQSA-N 2 0 329.532 3.281 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000271701559 455726635 /nfs/dbraw/zinc/72/66/35/455726635.db2.gz LPBOJOCYLFFJMU-RYRKJORJSA-N 2 0 349.494 3.186 20 0 EGADRP C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268982351 455752413 /nfs/dbraw/zinc/75/24/13/455752413.db2.gz HYQPYHIWWAEGNP-KBPBESRZSA-N 2 0 348.409 3.245 20 0 EGADRP CCC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCOCC1 ZINC000269012662 455762287 /nfs/dbraw/zinc/76/22/87/455762287.db2.gz XVFANVQNXIHYBN-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000278168074 455775530 /nfs/dbraw/zinc/77/55/30/455775530.db2.gz AXCIWOOIMSLDJE-OAHLLOKOSA-N 2 0 343.471 3.168 20 0 EGADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249922860 455782921 /nfs/dbraw/zinc/78/29/21/455782921.db2.gz ZCVHOYCBWXYCMF-FGTMMUONSA-N 2 0 343.515 3.160 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cncc(F)c1 ZINC000269079484 455784284 /nfs/dbraw/zinc/78/42/84/455784284.db2.gz ODRKGTFTBIJWNB-HNNXBMFYSA-N 2 0 343.446 3.028 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)oc21 ZINC000186580450 455797697 /nfs/dbraw/zinc/79/76/97/455797697.db2.gz NRTDTSYPEPBAAO-JKSUJKDBSA-N 2 0 345.487 3.118 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000252197333 455802986 /nfs/dbraw/zinc/80/29/86/455802986.db2.gz SOZGKUFAIKWFLF-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000186604356 455804596 /nfs/dbraw/zinc/80/45/96/455804596.db2.gz KUPDGPXQISCIMU-LSDHHAIUSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000278354511 455826183 /nfs/dbraw/zinc/82/61/83/455826183.db2.gz AZZDZEWQZFUVNI-ZWKOTPCHSA-N 2 0 342.487 3.024 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000285403007 455836785 /nfs/dbraw/zinc/83/67/85/455836785.db2.gz VVTQIBADNWVBRQ-LPHOPBHVSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000194563743 455858684 /nfs/dbraw/zinc/85/86/84/455858684.db2.gz KQFLLSKPOFPBSL-MRXNPFEDSA-N 2 0 343.515 3.106 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000255694443 455872428 /nfs/dbraw/zinc/87/24/28/455872428.db2.gz VGCPCQIGVOXZBJ-SDXDJHTJSA-N 2 0 336.483 3.027 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2nccn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209588 455878092 /nfs/dbraw/zinc/87/80/92/455878092.db2.gz PYTVYUIQSNHJOH-MJGOQNOKSA-N 2 0 334.467 3.335 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(O)c1 ZINC000194885061 455895709 /nfs/dbraw/zinc/89/57/09/455895709.db2.gz MVUCARZYVIZYJO-MRXNPFEDSA-N 2 0 340.467 3.200 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(O)c1 ZINC000194956710 455905556 /nfs/dbraw/zinc/90/55/56/455905556.db2.gz ILZYFTKMVNXSPS-OXQOHEQNSA-N 2 0 340.467 3.200 20 0 EGADRP C[C@@]1(C[NH3+])CCN(Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000261685526 455927873 /nfs/dbraw/zinc/92/78/73/455927873.db2.gz KJHACIVJKJAKEF-AWEZNQCLSA-N 2 0 349.219 3.221 20 0 EGADRP COc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000261739582 455937906 /nfs/dbraw/zinc/93/79/06/455937906.db2.gz SROPNSKSILVULZ-CQSZACIVSA-N 2 0 340.414 3.261 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285926246 455943888 /nfs/dbraw/zinc/94/38/88/455943888.db2.gz CQZQCEHGJCMQOL-HOTGVXAUSA-N 2 0 345.487 3.036 20 0 EGADRP CCCn1nc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C ZINC000261773431 455944457 /nfs/dbraw/zinc/94/44/57/455944457.db2.gz SKLJAKDFIZNZIT-QUCCMNQESA-N 2 0 326.488 3.084 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1c1ccccc1 ZINC000261871849 455962020 /nfs/dbraw/zinc/96/20/20/455962020.db2.gz XMHDYOKPISGQKZ-MOPGFXCFSA-N 2 0 333.435 3.115 20 0 EGADRP [NH3+]C1(c2noc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)CCCC1 ZINC000261901588 455968408 /nfs/dbraw/zinc/96/84/08/455968408.db2.gz YPIPHQVJHCJGRG-OAHLLOKOSA-N 2 0 344.434 3.316 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cccc(CO)c1 ZINC000270517841 455972936 /nfs/dbraw/zinc/97/29/36/455972936.db2.gz QVBVANBWBOQYIG-KRWDZBQOSA-N 2 0 342.483 3.013 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000262148058 456004115 /nfs/dbraw/zinc/00/41/15/456004115.db2.gz FQKVPETYXSZBJT-VQTJNVASSA-N 2 0 339.483 3.194 20 0 EGADRP Cc1nccn1CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000270660715 456007836 /nfs/dbraw/zinc/00/78/36/456007836.db2.gz OUNYYLBVZLPYJD-UHFFFAOYSA-N 2 0 326.488 3.036 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1ccc(C)cc1 ZINC000272616174 456014955 /nfs/dbraw/zinc/01/49/55/456014955.db2.gz XGQGPKOEJZQFIL-MRXNPFEDSA-N 2 0 341.503 3.267 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272614734 456015172 /nfs/dbraw/zinc/01/51/72/456015172.db2.gz ZZWOTTXYXDVYMO-OAQYLSRUSA-N 2 0 345.506 3.379 20 0 EGADRP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272665211 456030679 /nfs/dbraw/zinc/03/06/79/456030679.db2.gz SDAZVAITEQODCP-PIKOESSRSA-N 2 0 327.516 3.112 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cs1 ZINC000296814960 456044576 /nfs/dbraw/zinc/04/45/76/456044576.db2.gz LYUASGJUJDSAEY-OAHLLOKOSA-N 2 0 345.512 3.199 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000262709698 456054313 /nfs/dbraw/zinc/05/43/13/456054313.db2.gz PEZHNQVLEYIKMC-FQEVSTJZSA-N 2 0 344.503 3.439 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000262987462 456074509 /nfs/dbraw/zinc/07/45/09/456074509.db2.gz NIFMPGSMZSGCDZ-UYAOXDASSA-N 2 0 331.504 3.051 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccccc1 ZINC000263066490 456086329 /nfs/dbraw/zinc/08/63/29/456086329.db2.gz VZWVDTOUBKJHOZ-GGPKGHCWSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cscn1 ZINC000271064106 456116243 /nfs/dbraw/zinc/11/62/43/456116243.db2.gz CRNHGYWYYDFPPW-VQIMIIECSA-N 2 0 344.528 3.173 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@@H]1CCC[NH2+]C1 ZINC000263265872 456117666 /nfs/dbraw/zinc/11/76/66/456117666.db2.gz NODCHSRCACGPEV-UAFMIMERSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333091155 456158238 /nfs/dbraw/zinc/15/82/38/456158238.db2.gz CLGHEFIOYKVIRK-OXQOHEQNSA-N 2 0 328.456 3.460 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000271189971 456163618 /nfs/dbraw/zinc/16/36/18/456163618.db2.gz FVGJBRFKOLQQHV-UHFFFAOYSA-N 2 0 340.515 3.158 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)ccc2n1 ZINC000333141552 456166916 /nfs/dbraw/zinc/16/69/16/456166916.db2.gz KZYBSJSUDHCHOO-TZIWHRDSSA-N 2 0 339.483 3.262 20 0 EGADRP CC(C)[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236680572 456169015 /nfs/dbraw/zinc/16/90/15/456169015.db2.gz VHZHSJMTAJSGGZ-VQTJNVASSA-N 2 0 345.531 3.339 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CCC(N)=O)CC1 ZINC000271206561 456172104 /nfs/dbraw/zinc/17/21/04/456172104.db2.gz RZXWGQRVZOWCSR-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273161793 456196463 /nfs/dbraw/zinc/19/64/63/456196463.db2.gz CITYGNZKUJMBCJ-SCTDSRPQSA-N 2 0 345.531 3.322 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635253155 460722250 /nfs/dbraw/zinc/72/22/50/460722250.db2.gz GSHYQLGETUETRJ-UHFFFAOYSA-N 2 0 329.488 3.343 20 0 EGADRP COc1ncccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000290245584 456273807 /nfs/dbraw/zinc/27/38/07/456273807.db2.gz SXOFXKUAGNGCBK-YLJYHZDGSA-N 2 0 339.483 3.133 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000342913826 456309907 /nfs/dbraw/zinc/30/99/07/456309907.db2.gz LCCCTHGZVZHKIC-HXUWFJFHSA-N 2 0 339.483 3.057 20 0 EGADRP CN1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@H]1c1ccccc1 ZINC000340205307 456315100 /nfs/dbraw/zinc/31/51/00/456315100.db2.gz PGDWWFUISRQKMB-ICSRJNTNSA-N 2 0 328.431 3.243 20 0 EGADRP CC(C)OC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000337340930 456345938 /nfs/dbraw/zinc/34/59/38/456345938.db2.gz PVNNCRHUGVUMIG-HZPDHXFCSA-N 2 0 337.483 3.042 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCCCC1 ZINC000275926245 456353236 /nfs/dbraw/zinc/35/32/36/456353236.db2.gz VENJKOOGNYHOTP-IBGZPJMESA-N 2 0 331.504 3.240 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000281929877 456365573 /nfs/dbraw/zinc/36/55/73/456365573.db2.gz KIEXFCQYERGLAB-KRWDZBQOSA-N 2 0 331.504 3.120 20 0 EGADRP CCN(CC)[C@@H](C[NH2+][C@@H]1CN(CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051765 456372247 /nfs/dbraw/zinc/37/22/47/456372247.db2.gz SDLRLNPYXPGHAV-DBVUQKKJSA-N 2 0 333.520 3.008 20 0 EGADRP COc1ccc(C[N@H+](C)CCCn2ccnc2C)c(Cl)c1OC ZINC000290622303 456386063 /nfs/dbraw/zinc/38/60/63/456386063.db2.gz XIQSBNIPKQRNDH-UHFFFAOYSA-N 2 0 337.851 3.384 20 0 EGADRP c1cnc2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2c1 ZINC000352886904 456389632 /nfs/dbraw/zinc/38/96/32/456389632.db2.gz IJZNIFBYBBNOIG-UHFFFAOYSA-N 2 0 339.483 3.169 20 0 EGADRP COc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000298252844 456405167 /nfs/dbraw/zinc/40/51/67/456405167.db2.gz DPVCZDQTCASVHJ-OAQYLSRUSA-N 2 0 343.515 3.049 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000282200650 456441972 /nfs/dbraw/zinc/44/19/72/456441972.db2.gz GTNWZXBCCYXPDG-RTBURBONSA-N 2 0 340.483 3.240 20 0 EGADRP COc1cccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000337656181 456462543 /nfs/dbraw/zinc/46/25/43/456462543.db2.gz FNNMYXQQZNJYPB-IRXDYDNUSA-N 2 0 332.488 3.016 20 0 EGADRP COCC1(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CCC1 ZINC000340443213 456464950 /nfs/dbraw/zinc/46/49/50/456464950.db2.gz DVYFKJMLXSRDPH-MJGOQNOKSA-N 2 0 331.504 3.088 20 0 EGADRP Cc1cc2ncc([C@H](C)[NH2+]CCCCC[NH+]3CCCC3)c(C)n2n1 ZINC000340474714 456480804 /nfs/dbraw/zinc/48/08/04/456480804.db2.gz UQERGLMZBMZAGV-INIZCTEOSA-N 2 0 329.492 3.263 20 0 EGADRP c1ccc(CCOCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298539960 456484316 /nfs/dbraw/zinc/48/43/16/456484316.db2.gz SVWRDUHHILFJDJ-UHFFFAOYSA-N 2 0 339.483 3.289 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1)C1CC1 ZINC000340526693 456511827 /nfs/dbraw/zinc/51/18/27/456511827.db2.gz QPUNDXDYCMCNIF-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@]1(C)CCCO1 ZINC000340539241 456519589 /nfs/dbraw/zinc/51/95/89/456519589.db2.gz RXDVEXBOMIYLHZ-JXFKEZNVSA-N 2 0 332.488 3.207 20 0 EGADRP COC[C@H](CC(C)(C)C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000651741742 462321858 /nfs/dbraw/zinc/32/18/58/462321858.db2.gz UTTYLQOKSRNGOX-RDJZCZTQSA-N 2 0 334.508 3.085 20 0 EGADRP CSC1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC[NH+](C)CC1 ZINC000353216012 456567793 /nfs/dbraw/zinc/56/77/93/456567793.db2.gz FYODMSNDMDDVNC-UHFFFAOYSA-N 2 0 336.530 3.055 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000353245343 456583549 /nfs/dbraw/zinc/58/35/49/456583549.db2.gz UDDYLMGJYREVAW-UZLBHIALSA-N 2 0 346.515 3.244 20 0 EGADRP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310978903 456586125 /nfs/dbraw/zinc/58/61/25/456586125.db2.gz DQIRBTAIBUCJRL-OALUTQOASA-N 2 0 344.499 3.172 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313815323 456601641 /nfs/dbraw/zinc/60/16/41/456601641.db2.gz WUVNFWDNZJGYOQ-XJKCOSOUSA-N 2 0 325.294 3.310 20 0 EGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276930386 456623235 /nfs/dbraw/zinc/62/32/35/456623235.db2.gz SELBEAUVBWSKMZ-KRWDZBQOSA-N 2 0 331.504 3.424 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000321052618 456634485 /nfs/dbraw/zinc/63/44/85/456634485.db2.gz HCVYTQJJKBKEPV-CCKFTAQKSA-N 2 0 332.875 3.264 20 0 EGADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000337991571 456641391 /nfs/dbraw/zinc/64/13/91/456641391.db2.gz XKAOHKKTIPJPST-RHSMWYFYSA-N 2 0 344.421 3.073 20 0 EGADRP c1[nH]c2nccnc2c1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000291433443 456642276 /nfs/dbraw/zinc/64/22/76/456642276.db2.gz BJMOPGMYSGPREY-OAQYLSRUSA-N 2 0 347.466 3.056 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323770809 456655320 /nfs/dbraw/zinc/65/53/20/456655320.db2.gz ZIHFTTNWWURHMJ-HXUWFJFHSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000277022572 456655398 /nfs/dbraw/zinc/65/53/98/456655398.db2.gz DJNOVBVWLPTITC-RLVOKJKJSA-N 2 0 348.506 3.218 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000343498561 456660477 /nfs/dbraw/zinc/66/04/77/456660477.db2.gz SAXWMWPEUBAGIT-AABGKKOBSA-N 2 0 345.531 3.099 20 0 EGADRP C[C@@H]1CCC[C@@](CNC(=O)CC[C@H]([NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000324752017 456672222 /nfs/dbraw/zinc/67/22/22/456672222.db2.gz PTDDEOHZHGSHAC-IMFGXOCKSA-N 2 0 331.504 3.093 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000343544712 456697249 /nfs/dbraw/zinc/69/72/49/456697249.db2.gz YMHWXSQGKLFDMF-IEBWSBKVSA-N 2 0 333.907 3.039 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000327763690 456709247 /nfs/dbraw/zinc/70/92/47/456709247.db2.gz QCCVTHOORLBSQE-WOJBJXKFSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000353513033 456726195 /nfs/dbraw/zinc/72/61/95/456726195.db2.gz DTHYOHKGAPILSE-MAUKXSAKSA-N 2 0 329.492 3.284 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277217649 456729104 /nfs/dbraw/zinc/72/91/04/456729104.db2.gz XGEPIEBJNAUVSA-LEWJYISDSA-N 2 0 348.506 3.363 20 0 EGADRP CC[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000299611373 456744195 /nfs/dbraw/zinc/74/41/95/456744195.db2.gz IPOHCYUTJFHGMH-UHFFFAOYSA-N 2 0 339.483 3.000 20 0 EGADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000291761417 456747644 /nfs/dbraw/zinc/74/76/44/456747644.db2.gz VQGSJLBWTACAFE-PBHICJAKSA-N 2 0 345.512 3.231 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC000277279421 456757776 /nfs/dbraw/zinc/75/77/76/456757776.db2.gz SKLJJXAGDPFGCK-SJLPKXTDSA-N 2 0 334.504 3.432 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000343632405 456759129 /nfs/dbraw/zinc/75/91/29/456759129.db2.gz AHFYSSVRTFPANH-OKZBNKHCSA-N 2 0 343.515 3.201 20 0 EGADRP CC(C)SCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338321647 456770195 /nfs/dbraw/zinc/77/01/95/456770195.db2.gz UWICOZLZFPTJRD-IRXDYDNUSA-N 2 0 328.566 3.339 20 0 EGADRP CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000291865894 456782896 /nfs/dbraw/zinc/78/28/96/456782896.db2.gz HZINJJZXQKOCOX-AWEZNQCLSA-N 2 0 331.460 3.337 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc21 ZINC000283497686 456791873 /nfs/dbraw/zinc/79/18/73/456791873.db2.gz YMGKENDATWLYIC-RTBURBONSA-N 2 0 330.472 3.244 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969402 456814713 /nfs/dbraw/zinc/81/47/13/456814713.db2.gz RYXNYDIPMPWCJQ-USXIJHARSA-N 2 0 342.405 3.155 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000348684388 456814984 /nfs/dbraw/zinc/81/49/84/456814984.db2.gz PKIKLBNSVPFWJQ-CVEARBPZSA-N 2 0 343.471 3.442 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000353676342 456848711 /nfs/dbraw/zinc/84/87/11/456848711.db2.gz XIEQUVNVLMTISX-VQSBLYBRSA-N 3 0 341.543 3.359 20 0 EGADRP CSc1ccccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348846957 456883116 /nfs/dbraw/zinc/88/31/16/456883116.db2.gz GWSVGEUVQYTHOO-UHFFFAOYSA-N 2 0 347.572 3.258 20 0 EGADRP Cc1nc(C(C)C)ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000339044911 456914388 /nfs/dbraw/zinc/91/43/88/456914388.db2.gz QAQQRUFPEFSWTA-YZGWKJHDSA-N 2 0 331.504 3.197 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349290879 456933346 /nfs/dbraw/zinc/93/33/46/456933346.db2.gz YIWCOQBVVCLVHF-INIZCTEOSA-N 2 0 341.499 3.342 20 0 EGADRP CC[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[NH+](CC)CC ZINC000345164095 456949262 /nfs/dbraw/zinc/94/92/62/456949262.db2.gz MTZMVHRGGCGIBA-LJQANCHMSA-N 2 0 333.520 3.263 20 0 EGADRP Cc1cccc2ncc(CN3CCN(Cc4cccs4)CC3)n21 ZINC000349578775 456990682 /nfs/dbraw/zinc/99/06/82/456990682.db2.gz RKWYWFAVJBPYCQ-UHFFFAOYSA-N 2 0 326.469 3.022 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3coc4ccccc34)CC2)CC1 ZINC000354035048 457023630 /nfs/dbraw/zinc/02/36/30/457023630.db2.gz VGUJOGCCIKHPML-UHFFFAOYSA-N 2 0 341.499 3.423 20 0 EGADRP CC[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000339367947 457071136 /nfs/dbraw/zinc/07/11/36/457071136.db2.gz XYVVCRYOFGBQIZ-LJQANCHMSA-N 2 0 333.520 3.132 20 0 EGADRP c1onc(Cc2ccccc2)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000339375676 457075545 /nfs/dbraw/zinc/07/55/45/457075545.db2.gz GLGFSECQZCXEIU-UHFFFAOYSA-N 2 0 325.456 3.229 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)C[C@H]21 ZINC000342090355 457102066 /nfs/dbraw/zinc/10/20/66/457102066.db2.gz TUMBYETWAOENIH-NWANDNLSSA-N 2 0 328.378 3.187 20 0 EGADRP COc1ccccc1-c1ccc(C[NH2+]CCOCC[NH+](C)C)cc1 ZINC000354190534 457120341 /nfs/dbraw/zinc/12/03/41/457120341.db2.gz LBBRQZLCSSQDGX-UHFFFAOYSA-N 2 0 328.456 3.030 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000359769673 457128695 /nfs/dbraw/zinc/12/86/95/457128695.db2.gz YVMICAXGLOJQIJ-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000354270803 457165517 /nfs/dbraw/zinc/16/55/17/457165517.db2.gz HTUSGDNOGLYOLG-HXUWFJFHSA-N 2 0 345.531 3.212 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346825170 457178546 /nfs/dbraw/zinc/17/85/46/457178546.db2.gz ATYFEWGYCMFJSX-KKXDTOCCSA-N 2 0 330.863 3.003 20 0 EGADRP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cn1 ZINC000359972961 457180160 /nfs/dbraw/zinc/18/01/60/457180160.db2.gz ZKHIXQSNWOPBRP-KDOFPFPSSA-N 2 0 345.874 3.152 20 0 EGADRP CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1OCC ZINC000347043459 457199860 /nfs/dbraw/zinc/19/98/60/457199860.db2.gz MVSGQWXBLONXJN-GOSISDBHSA-N 2 0 332.488 3.448 20 0 EGADRP CCOc1cccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1OC(F)F ZINC000347078480 457218187 /nfs/dbraw/zinc/21/81/87/457218187.db2.gz VRPSKEIXHLRQKZ-STQMWFEESA-N 2 0 328.403 3.246 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000347129917 457245623 /nfs/dbraw/zinc/24/56/23/457245623.db2.gz QEFXBFNDBQMQIH-INIZCTEOSA-N 2 0 325.456 3.220 20 0 EGADRP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000354477120 457248062 /nfs/dbraw/zinc/24/80/62/457248062.db2.gz JQFWABUNLSWHNB-HKUYNNGSSA-N 2 0 331.504 3.011 20 0 EGADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357021210 457281074 /nfs/dbraw/zinc/28/10/74/457281074.db2.gz YRYLRBUUZPXAIK-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832213 457298225 /nfs/dbraw/zinc/29/82/25/457298225.db2.gz VCFLEWMCDYHJJP-HXUWFJFHSA-N 2 0 338.499 3.095 20 0 EGADRP COc1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000357049530 457298655 /nfs/dbraw/zinc/29/86/55/457298655.db2.gz XPNRYQROJIWTHS-UHFFFAOYSA-N 2 0 340.471 3.224 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357055459 457301175 /nfs/dbraw/zinc/30/11/75/457301175.db2.gz RNTHAETXWOHYLS-CQSZACIVSA-N 2 0 340.414 3.118 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCCc2nc(C)no2)CC1)CC1CC1 ZINC000357083772 457313414 /nfs/dbraw/zinc/31/34/14/457313414.db2.gz KKABARAQWFFIBN-UHFFFAOYSA-N 2 0 334.508 3.145 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000357087777 457315241 /nfs/dbraw/zinc/31/52/41/457315241.db2.gz SHXMNSZOLDSYIB-IEBWSBKVSA-N 2 0 343.515 3.260 20 0 EGADRP CCOC(=O)CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352433915 457364525 /nfs/dbraw/zinc/36/45/25/457364525.db2.gz ZBGIJOIKKCWWMK-WOJBJXKFSA-N 2 0 344.499 3.174 20 0 EGADRP CCc1nnc([C@H](C)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447850 457373323 /nfs/dbraw/zinc/37/33/23/457373323.db2.gz OVGBAZQYBMXDFV-CGTJXYLNSA-N 2 0 340.471 3.147 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000360881299 457403336 /nfs/dbraw/zinc/40/33/36/457403336.db2.gz PKHNMAPKWMKWON-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000342653213 457431061 /nfs/dbraw/zinc/43/10/61/457431061.db2.gz VFOBBCXIYLYIDS-IBGZPJMESA-N 2 0 331.504 3.012 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000397568032 457488280 /nfs/dbraw/zinc/48/82/80/457488280.db2.gz WWQMNGRSOVGDBN-BHIFYINESA-N 3 0 341.543 3.409 20 0 EGADRP COc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397563227 457488859 /nfs/dbraw/zinc/48/88/59/457488859.db2.gz ZGKLUPUAMHKADI-UHFFFAOYSA-N 2 0 331.485 3.154 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374167177 457506529 /nfs/dbraw/zinc/50/65/29/457506529.db2.gz ZYPIIFQCGYHMPS-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399103391 457507033 /nfs/dbraw/zinc/50/70/33/457507033.db2.gz WNOATBILOKDZHZ-RDJZCZTQSA-N 2 0 339.524 3.237 20 0 EGADRP CCN(Cc1cnn(C)c1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000352671513 457518073 /nfs/dbraw/zinc/51/80/73/457518073.db2.gz JCRFGEXKMXWQHA-UHFFFAOYSA-N 2 0 328.504 3.400 20 0 EGADRP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000425418430 457544331 /nfs/dbraw/zinc/54/43/31/457544331.db2.gz IPIHUOIXFPJRJT-NHCUHLMSSA-N 2 0 328.500 3.400 20 0 EGADRP Cc1cccnc1CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404970080 457551008 /nfs/dbraw/zinc/55/10/08/457551008.db2.gz KROHYBDPQUMFKI-TUNNFDKTSA-N 2 0 335.495 3.433 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC1CCCC1 ZINC000361106633 457583888 /nfs/dbraw/zinc/58/38/88/457583888.db2.gz FVUCTQDELJYVGJ-CRAIPNDOSA-N 2 0 332.488 3.446 20 0 EGADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCC1CCC1 ZINC000370215205 457588177 /nfs/dbraw/zinc/58/81/77/457588177.db2.gz JHOVSFQDVOYRAE-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425928276 457653510 /nfs/dbraw/zinc/65/35/10/457653510.db2.gz ROJRTCNTTIJYNZ-IRXDYDNUSA-N 2 0 329.488 3.418 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425928278 457653661 /nfs/dbraw/zinc/65/36/61/457653661.db2.gz ROJRTCNTTIJYNZ-SJORKVTESA-N 2 0 329.488 3.418 20 0 EGADRP Cc1cc(OCCN2CCN(Cc3ncc[nH]3)CC2)ccc1C(C)C ZINC000357728393 457670952 /nfs/dbraw/zinc/67/09/52/457670952.db2.gz BBHRYZWUTQRWKB-UHFFFAOYSA-N 2 0 342.487 3.038 20 0 EGADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000370635222 457688006 /nfs/dbraw/zinc/68/80/06/457688006.db2.gz OHPIFCWUJOMBHF-IRLDBZIGSA-N 2 0 341.543 3.074 20 0 EGADRP Cc1csc(N2CCC([NH2+]CCN3CCCC(C)(C)C3)CC2)n1 ZINC000361431913 457729978 /nfs/dbraw/zinc/72/99/78/457729978.db2.gz GHTOEIXNAPXFNU-UHFFFAOYSA-N 2 0 336.549 3.132 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCCC1 ZINC000361455224 457737352 /nfs/dbraw/zinc/73/73/52/457737352.db2.gz BNFBXGYQIWZCAL-UHFFFAOYSA-N 2 0 335.458 3.115 20 0 EGADRP Cc1ccccc1[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)(C)C ZINC000433124533 457761626 /nfs/dbraw/zinc/76/16/26/457761626.db2.gz DCMOUGIYGCLJRK-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP CCSc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433134714 457764495 /nfs/dbraw/zinc/76/44/95/457764495.db2.gz HLEICHDRGFDEPD-OAHLLOKOSA-N 2 0 349.544 3.179 20 0 EGADRP C[C@@H](c1cccnc1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371154685 457809257 /nfs/dbraw/zinc/80/92/57/457809257.db2.gz FJFLFHJWXLGULK-SFHVURJKSA-N 2 0 344.547 3.271 20 0 EGADRP CCC[NH+](CCC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000411164567 457819098 /nfs/dbraw/zinc/81/90/98/457819098.db2.gz HZZFWPCUUIZVRK-SFHVURJKSA-N 2 0 345.531 3.278 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536719 457842439 /nfs/dbraw/zinc/84/24/39/457842439.db2.gz TVIUZIXURDJNGH-INIZCTEOSA-N 2 0 346.368 3.294 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCc1ccc(Cl)cc1 ZINC000371295906 457853472 /nfs/dbraw/zinc/85/34/72/457853472.db2.gz VSJMGWZJLMCXKG-QYZOEREBSA-N 2 0 336.907 3.456 20 0 EGADRP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000411317397 457856161 /nfs/dbraw/zinc/85/61/61/457856161.db2.gz ALTHLUKCWJSLDA-HXUWFJFHSA-N 2 0 349.494 3.101 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337886 457859281 /nfs/dbraw/zinc/85/92/81/457859281.db2.gz WBCBDYDVMPARAD-OAQYLSRUSA-N 2 0 329.532 3.446 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427124383 457947048 /nfs/dbraw/zinc/94/70/48/457947048.db2.gz QYYNEKXCUBQTSF-MJGOQNOKSA-N 2 0 332.451 3.209 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427194790 457957012 /nfs/dbraw/zinc/95/70/12/457957012.db2.gz XEKMJLLWOMOMAL-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427271430 457968795 /nfs/dbraw/zinc/96/87/95/457968795.db2.gz FDJIRIRYLYLIQM-ROUUACIJSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361971936 457985779 /nfs/dbraw/zinc/98/57/79/457985779.db2.gz OIKUCNIKHADLEU-DLBZAZTESA-N 2 0 327.472 3.304 20 0 EGADRP FC(F)(F)CCN1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000371602138 458002817 /nfs/dbraw/zinc/00/28/17/458002817.db2.gz OLDUXLBSWOEQAM-UHFFFAOYSA-N 3 0 347.469 3.400 20 0 EGADRP Fc1cc(Br)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358494244 458037963 /nfs/dbraw/zinc/03/79/63/458037963.db2.gz DZNORCHHJLOQIX-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]2C1 ZINC000412040675 458060446 /nfs/dbraw/zinc/06/04/46/458060446.db2.gz ISWSHXCTRMOODA-NJDAHSKKSA-N 2 0 328.500 3.265 20 0 EGADRP C[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cccc(Cl)c1 ZINC000368935527 458066913 /nfs/dbraw/zinc/06/69/13/458066913.db2.gz ZXDZNMXILNETAV-HLIPFELVSA-N 2 0 349.950 3.401 20 0 EGADRP OC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000358577741 458087923 /nfs/dbraw/zinc/08/79/23/458087923.db2.gz UYAAOZGSXINMKW-FEKWIAJESA-N 2 0 328.500 3.180 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OCC(F)(F)F ZINC000435369248 458120069 /nfs/dbraw/zinc/12/00/69/458120069.db2.gz DVCVRINQWIZLIX-JSGCOSHPSA-N 2 0 346.393 3.196 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435377290 458125717 /nfs/dbraw/zinc/12/57/17/458125717.db2.gz ZWMNFSCFORBSOK-SUMWQHHRSA-N 2 0 346.906 3.371 20 0 EGADRP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc2)cs1 ZINC000435376940 458127255 /nfs/dbraw/zinc/12/72/55/458127255.db2.gz WKZHRQOUOAJDBX-CJNGLKHVSA-N 2 0 331.485 3.200 20 0 EGADRP C[C@@H]1CN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000435378984 458128604 /nfs/dbraw/zinc/12/86/04/458128604.db2.gz HHCZDPDZBCIDER-COXVUDFISA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+]C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435383684 458130514 /nfs/dbraw/zinc/13/05/14/458130514.db2.gz IHQCVFMUPPBVQN-LJQANCHMSA-N 2 0 346.478 3.379 20 0 EGADRP Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000435388842 458133893 /nfs/dbraw/zinc/13/38/93/458133893.db2.gz JDLMMIINPLLEMK-INIZCTEOSA-N 2 0 326.488 3.259 20 0 EGADRP CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435392160 458135381 /nfs/dbraw/zinc/13/53/81/458135381.db2.gz VMNWYDGPYGCBTD-CQSZACIVSA-N 2 0 328.403 3.261 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000412229429 458135866 /nfs/dbraw/zinc/13/58/66/458135866.db2.gz JPVDSELUTPAJHY-MSOLQXFVSA-N 2 0 343.515 3.227 20 0 EGADRP Cc1cc(CN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)ccc1F ZINC000435436566 458146703 /nfs/dbraw/zinc/14/67/03/458146703.db2.gz GBNCRKCZVNVZMB-GOSISDBHSA-N 2 0 342.462 3.012 20 0 EGADRP CC[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435623250 458175041 /nfs/dbraw/zinc/17/50/41/458175041.db2.gz GTRRPOVYMBTFMU-LJQANCHMSA-N 2 0 331.504 3.036 20 0 EGADRP CCN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435628441 458176683 /nfs/dbraw/zinc/17/66/83/458176683.db2.gz QUVULMNGIBAENF-CYBMUJFWSA-N 2 0 344.286 3.396 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)ccc21 ZINC000412378347 458186772 /nfs/dbraw/zinc/18/67/72/458186772.db2.gz LXSCXSYCRPETBH-MJGOQNOKSA-N 2 0 329.488 3.439 20 0 EGADRP Cc1ncsc1CN(CCCOc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000435735476 458192548 /nfs/dbraw/zinc/19/25/48/458192548.db2.gz NFIDLAVQSXVNFO-QGZVFWFLSA-N 2 0 345.512 3.332 20 0 EGADRP Cc1ncsc1CN(CCOc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435737245 458192868 /nfs/dbraw/zinc/19/28/68/458192868.db2.gz GIENGZNCDLNLRV-HNNXBMFYSA-N 2 0 349.475 3.081 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000362472379 458201457 /nfs/dbraw/zinc/20/14/57/458201457.db2.gz JTJXZLXJDSYVMY-MDZRGWNJSA-N 2 0 329.488 3.197 20 0 EGADRP COC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC000446826145 458232408 /nfs/dbraw/zinc/23/24/08/458232408.db2.gz MHULYDDLSIRMGU-NRFANRHFSA-N 2 0 346.515 3.456 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000429062316 458268242 /nfs/dbraw/zinc/26/82/42/458268242.db2.gz QBJGVNWHGMTCGC-YOEHRIQHSA-N 2 0 337.895 3.473 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2c(Cl)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000436406624 458301257 /nfs/dbraw/zinc/30/12/57/458301257.db2.gz IKJXGSCMFXIONK-WBVHZDCISA-N 2 0 346.906 3.464 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000447564499 458312803 /nfs/dbraw/zinc/31/28/03/458312803.db2.gz XGIHLAYSNBKYHE-UXPWSPDFSA-N 2 0 343.515 3.048 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000376637590 458359035 /nfs/dbraw/zinc/35/90/35/458359035.db2.gz SFOLDFQURBJWNQ-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP CCOc1ccccc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459437290 458371479 /nfs/dbraw/zinc/37/14/79/458371479.db2.gz XZUSYBGCPFVAPR-UHFFFAOYSA-N 2 0 325.456 3.281 20 0 EGADRP COc1ccccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000376717478 458375175 /nfs/dbraw/zinc/37/51/75/458375175.db2.gz RIPXCVUNHVCNJK-UHFFFAOYSA-N 2 0 340.467 3.458 20 0 EGADRP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H](C)[C@H]1OC ZINC000459465534 458380959 /nfs/dbraw/zinc/38/09/59/458380959.db2.gz NVYFTHYRLZDHPE-KFKAGJAMSA-N 2 0 331.504 3.480 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000430111567 458402993 /nfs/dbraw/zinc/40/29/93/458402993.db2.gz SBLWWSAVNQPGQD-MOPGFXCFSA-N 2 0 349.469 3.306 20 0 EGADRP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459557129 458410189 /nfs/dbraw/zinc/41/01/89/458410189.db2.gz GUFMPLQABQDTLC-DJJJIMSYSA-N 2 0 327.403 3.301 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000376875994 458412845 /nfs/dbraw/zinc/41/28/45/458412845.db2.gz LDNFHZRKOLLOHY-UHFFFAOYSA-N 2 0 336.549 3.214 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105817 458427273 /nfs/dbraw/zinc/42/72/73/458427273.db2.gz FGDNAVVRQAFSPP-NJDAHSKKSA-N 2 0 341.543 3.361 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[C@@H]3CCC[N@H+](C)C3)ccc21 ZINC000459627899 458430873 /nfs/dbraw/zinc/43/08/73/458430873.db2.gz YCDANVJGBDPCME-KXBFYZLASA-N 2 0 344.503 3.089 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(N2CCCC2=O)c1 ZINC000423436245 458432523 /nfs/dbraw/zinc/43/25/23/458432523.db2.gz ZSAQIEFEESURLS-ULQDDVLXSA-N 2 0 329.488 3.229 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc2)nc1 ZINC000423450650 458434717 /nfs/dbraw/zinc/43/47/17/458434717.db2.gz XJRURSOEJMARNK-DFQSSKMNSA-N 2 0 325.431 3.288 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423453359 458435804 /nfs/dbraw/zinc/43/58/04/458435804.db2.gz KNCIFAUKDWCSQH-CWJKEVGVSA-N 3 0 329.532 3.394 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423462265 458436444 /nfs/dbraw/zinc/43/64/44/458436444.db2.gz DIRVSVJBADNQDA-IAOVAPTHSA-N 2 0 332.879 3.270 20 0 EGADRP FC1(F)CNCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423473413 458438736 /nfs/dbraw/zinc/43/87/36/458438736.db2.gz ISBHHYKHVCCWSS-RISCZKNCSA-N 2 0 330.806 3.388 20 0 EGADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423517091 458448578 /nfs/dbraw/zinc/44/85/78/458448578.db2.gz YNYFSUGBWJIXHK-XLIONFOSSA-N 2 0 339.483 3.498 20 0 EGADRP CCC[C@H]([NH2+]C[C@@H]1CNCCN1C)c1cccc(C(F)(F)F)c1 ZINC000423526178 458450937 /nfs/dbraw/zinc/45/09/37/458450937.db2.gz UYVCZUOEEPGHPR-HOTGVXAUSA-N 2 0 329.410 3.040 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531933 458453438 /nfs/dbraw/zinc/45/34/38/458453438.db2.gz QPBKXWCFOFXUPA-KVJIRVJXSA-N 2 0 335.495 3.167 20 0 EGADRP Cc1cncc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423541330 458454465 /nfs/dbraw/zinc/45/44/65/458454465.db2.gz AQURPIHWXZELGX-SFHVURJKSA-N 2 0 338.499 3.034 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000423539046 458455369 /nfs/dbraw/zinc/45/53/69/458455369.db2.gz ASDKDTVFMOOQRE-QKMNUUQDSA-N 2 0 348.918 3.408 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423546577 458456060 /nfs/dbraw/zinc/45/60/60/458456060.db2.gz ZDEDSJDUCHIRKO-BDTNDASRSA-N 3 0 339.527 3.329 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423573760 458457864 /nfs/dbraw/zinc/45/78/64/458457864.db2.gz ZLXDPUBPFAQXCR-MRXNPFEDSA-N 2 0 329.488 3.427 20 0 EGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000423582303 458459222 /nfs/dbraw/zinc/45/92/22/458459222.db2.gz ZVKWVFVIQSGJGU-QGZVFWFLSA-N 2 0 339.483 3.036 20 0 EGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000430548835 458459497 /nfs/dbraw/zinc/45/94/97/458459497.db2.gz HWYYPBHBVDAKEL-FQEVSTJZSA-N 2 0 327.472 3.466 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1cccc2ccccc21 ZINC000430614550 458471410 /nfs/dbraw/zinc/47/14/10/458471410.db2.gz ZECFNJCQHSIIBC-DNVCBOLYSA-N 2 0 325.456 3.370 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423725516 458476194 /nfs/dbraw/zinc/47/61/94/458476194.db2.gz IQJQIANIVUUJCS-IVGGMSORSA-N 2 0 347.547 3.004 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423736762 458477991 /nfs/dbraw/zinc/47/79/91/458477991.db2.gz YYKXSSTXVQKRQC-JOMPHRNESA-N 2 0 343.515 3.186 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459782594 458478122 /nfs/dbraw/zinc/47/81/22/458478122.db2.gz MRJLQLZPLRUQNA-IRXDYDNUSA-N 2 0 334.504 3.265 20 0 EGADRP [NH3+][C@@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000423781871 458482367 /nfs/dbraw/zinc/48/23/67/458482367.db2.gz YFRBRCGPQCYHTB-FQEVSTJZSA-N 2 0 337.467 3.354 20 0 EGADRP Cn1c2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2nc1C1CC1 ZINC000423808901 458488264 /nfs/dbraw/zinc/48/82/64/458488264.db2.gz JETCGEIXLUTNPI-HXUWFJFHSA-N 2 0 334.423 3.263 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430763703 458489505 /nfs/dbraw/zinc/48/95/05/458489505.db2.gz QBGDDTVMPHQNTG-RTBURBONSA-N 2 0 337.552 3.255 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000430922446 458505925 /nfs/dbraw/zinc/50/59/25/458505925.db2.gz ALHMUXRQLRCRLU-CABCVRRESA-N 2 0 325.456 3.226 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423906368 458510307 /nfs/dbraw/zinc/51/03/07/458510307.db2.gz QFQAVKAOQLCBFP-CUDHKJQZSA-N 2 0 345.531 3.023 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C1CCCCCC1)c1ccccc1 ZINC000460385653 458514663 /nfs/dbraw/zinc/51/46/63/458514663.db2.gz GPTDRMRKWAAIHM-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021083 458517214 /nfs/dbraw/zinc/51/72/14/458517214.db2.gz ALGZOASVKAXPNO-CQSZACIVSA-N 2 0 335.879 3.051 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431034493 458519404 /nfs/dbraw/zinc/51/94/04/458519404.db2.gz OMJCMHSPGOPMDR-HKUYNNGSSA-N 2 0 343.515 3.108 20 0 EGADRP C[NH+](C)Cc1ccccc1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424133112 458566745 /nfs/dbraw/zinc/56/67/45/458566745.db2.gz IYHBGOCEAMHADP-HXUWFJFHSA-N 2 0 345.531 3.442 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424149258 458571805 /nfs/dbraw/zinc/57/18/05/458571805.db2.gz WCOUWJNSVLUUBX-PMACEKPBSA-N 2 0 349.563 3.255 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000424215121 458585853 /nfs/dbraw/zinc/58/58/53/458585853.db2.gz FBZYAFHLOPCYEA-ORYQWCPZSA-N 2 0 349.478 3.053 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438553598 458596838 /nfs/dbraw/zinc/59/68/38/458596838.db2.gz LPJGZZUJPCTTBG-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCC3)C2 ZINC000493933661 458602270 /nfs/dbraw/zinc/60/22/70/458602270.db2.gz DVXYJNZFCTWFLE-IHETXDGRSA-N 2 0 329.488 3.043 20 0 EGADRP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424306928 458611100 /nfs/dbraw/zinc/61/11/00/458611100.db2.gz WKQZMAFMQMPEAQ-SJLPKXTDSA-N 2 0 330.451 3.055 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C3(CCCCC3)C2)CC1 ZINC000462451887 458621200 /nfs/dbraw/zinc/62/12/00/458621200.db2.gz LKWWHYGRTNQFCC-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000470261661 458625634 /nfs/dbraw/zinc/62/56/34/458625634.db2.gz UBBLVEWCVYNKRO-QWFCFKBJSA-N 2 0 326.488 3.162 20 0 EGADRP CCOc1c(OC)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424383725 458630636 /nfs/dbraw/zinc/63/06/36/458630636.db2.gz UJZGFFBQTBGZEX-OAHLLOKOSA-N 2 0 348.487 3.067 20 0 EGADRP COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424387021 458631261 /nfs/dbraw/zinc/63/12/61/458631261.db2.gz XZCUKIRWTVHUEF-ZDUSSCGKSA-N 2 0 338.879 3.321 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000502242923 458641902 /nfs/dbraw/zinc/64/19/02/458641902.db2.gz UGUOTBQSEXWHHK-IRXDYDNUSA-N 2 0 334.504 3.265 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494483468 458687192 /nfs/dbraw/zinc/68/71/92/458687192.db2.gz DGGJOKTYUUEIAD-HUUCEWRRSA-N 2 0 327.513 3.141 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000494508818 458690636 /nfs/dbraw/zinc/69/06/36/458690636.db2.gz BWCJLHJIKQTMSV-FQEVSTJZSA-N 2 0 341.499 3.484 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000494647423 458717891 /nfs/dbraw/zinc/71/78/91/458717891.db2.gz MAIMIVXVBQTKIR-VQTJNVASSA-N 2 0 343.515 3.108 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530218698 458721895 /nfs/dbraw/zinc/72/18/95/458721895.db2.gz GTCIEVJNVXMNJF-SKDRFNHKSA-N 2 0 333.220 3.334 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000494878202 458760085 /nfs/dbraw/zinc/76/00/85/458760085.db2.gz MVUYWGHMPXTZAU-NRFANRHFSA-N 2 0 329.532 3.453 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cn2ccccc2n1 ZINC000547727804 458780937 /nfs/dbraw/zinc/78/09/37/458780937.db2.gz ZDTZJYYCENKLJW-INIZCTEOSA-N 2 0 331.423 3.430 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440801469 458856233 /nfs/dbraw/zinc/85/62/33/458856233.db2.gz ANFUEPNMIQUSQS-UHFFFAOYSA-N 2 0 326.366 3.170 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474462870 458887119 /nfs/dbraw/zinc/88/71/19/458887119.db2.gz VVNDPWNVJGUUEH-ZACQAIPSSA-N 2 0 337.939 3.448 20 0 EGADRP C[N@H+](CCCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000457205478 458898053 /nfs/dbraw/zinc/89/80/53/458898053.db2.gz RCBMMSGQRWKLJR-FQEVSTJZSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000519386107 458941875 /nfs/dbraw/zinc/94/18/75/458941875.db2.gz AUFPMTXWBJHIKQ-UHFFFAOYSA-N 2 0 325.456 3.257 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000576936942 458951517 /nfs/dbraw/zinc/95/15/17/458951517.db2.gz OKHVMLMIJLDRKA-NVXWUHKLSA-N 2 0 344.503 3.228 20 0 EGADRP CCOC(=O)[C@H](CC)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000441518289 458956152 /nfs/dbraw/zinc/95/61/52/458956152.db2.gz YEKXTUZLCSVFJJ-IBGZPJMESA-N 2 0 332.488 3.172 20 0 EGADRP CCc1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000475706632 458959666 /nfs/dbraw/zinc/95/96/66/458959666.db2.gz ZFADOQNRSLDRHH-KRWDZBQOSA-N 2 0 335.923 3.114 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495817426 458964955 /nfs/dbraw/zinc/96/49/55/458964955.db2.gz FWGLMOKHXRREKC-ZACQAIPSSA-N 2 0 341.540 3.388 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCn3ccnc3)C2)s1 ZINC000577026198 458965818 /nfs/dbraw/zinc/96/58/18/458965818.db2.gz SDWJLHOBFOCWKV-QGZVFWFLSA-N 2 0 332.517 3.097 20 0 EGADRP COC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCCC1 ZINC000566650516 458974776 /nfs/dbraw/zinc/97/47/76/458974776.db2.gz UIDQKZOCLSTASP-WOJBJXKFSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000495849883 458976290 /nfs/dbraw/zinc/97/62/90/458976290.db2.gz LOWAQYSHWXMPQR-WBVHZDCISA-N 2 0 339.524 3.286 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000532195836 459045034 /nfs/dbraw/zinc/04/50/34/459045034.db2.gz OAMHBADULRNBGH-HNNXBMFYSA-N 2 0 343.437 3.384 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)o1 ZINC000589950702 459055845 /nfs/dbraw/zinc/05/58/45/459055845.db2.gz BLYLIISUDIWLPJ-KRWDZBQOSA-N 2 0 347.503 3.212 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060130 459080442 /nfs/dbraw/zinc/08/04/42/459080442.db2.gz OFDWWZQEWWPBPO-QWHCGFSZSA-N 2 0 343.393 3.093 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000443060878 459080628 /nfs/dbraw/zinc/08/06/28/459080628.db2.gz PXZGVPDLBMEEPU-KRWDZBQOSA-N 2 0 337.467 3.500 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000532449809 459090403 /nfs/dbraw/zinc/09/04/03/459090403.db2.gz KXFIBBWDEUOROX-NHCUHLMSSA-N 2 0 329.532 3.389 20 0 EGADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765320 459091402 /nfs/dbraw/zinc/09/14/02/459091402.db2.gz YKNBZPPRMMGSQX-QFBILLFUSA-N 2 0 337.467 3.028 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532491909 459098514 /nfs/dbraw/zinc/09/85/14/459098514.db2.gz NSCRDAOFFANLGV-OAHLLOKOSA-N 2 0 329.488 3.486 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000479066045 459120399 /nfs/dbraw/zinc/12/03/99/459120399.db2.gz VTGCGUARTQRDFW-DLBZAZTESA-N 2 0 337.939 3.449 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000577955204 459123783 /nfs/dbraw/zinc/12/37/83/459123783.db2.gz HDGGUHDASFKCEO-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ccccc1OC[C@H](O)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000567581532 459128010 /nfs/dbraw/zinc/12/80/10/459128010.db2.gz GBZGTGWVJUMLFC-WSTZPKSXSA-N 2 0 348.531 3.082 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000496272583 459131099 /nfs/dbraw/zinc/13/10/99/459131099.db2.gz HOOWNCLQIOHQJH-VVLHAWIVSA-N 2 0 341.540 3.388 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000479464038 459141868 /nfs/dbraw/zinc/14/18/68/459141868.db2.gz KPPVFSAFSYPTAC-FPOVZHCZSA-N 2 0 336.479 3.492 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21)C(C)(C)C[NH+](C)C ZINC000567689002 459145777 /nfs/dbraw/zinc/14/57/77/459145777.db2.gz AKHNMQHIPVKHSU-HQRMLTQVSA-N 2 0 348.531 3.007 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000567870700 459182207 /nfs/dbraw/zinc/18/22/07/459182207.db2.gz JMMRAYFRSUMRCO-QWRGUYRKSA-N 2 0 337.265 3.055 20 0 EGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000578545709 459218728 /nfs/dbraw/zinc/21/87/28/459218728.db2.gz ZPJHGUAATDTWQU-HXUWFJFHSA-N 3 0 338.499 3.396 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496580437 459246296 /nfs/dbraw/zinc/24/62/96/459246296.db2.gz CIKIQSBCOWDUJH-VVLHAWIVSA-N 2 0 339.524 3.142 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496625363 459264659 /nfs/dbraw/zinc/26/46/59/459264659.db2.gz SZOWAMZPBKAAJZ-ZACQAIPSSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH]c3nccnc23)C[N@@H+]1Cc1ccccc1 ZINC000568337492 459269453 /nfs/dbraw/zinc/26/94/53/459269453.db2.gz MNRSXOJRZAVGFF-WMZOPIPTSA-N 2 0 349.482 3.300 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000595315123 459276177 /nfs/dbraw/zinc/27/61/77/459276177.db2.gz XONUVWRWZSZEPL-HXUWFJFHSA-N 2 0 329.532 3.196 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000559753078 459276350 /nfs/dbraw/zinc/27/63/50/459276350.db2.gz KYHNNQAPVVHXDB-WIYYLYMNSA-N 2 0 329.532 3.361 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000591039580 459299025 /nfs/dbraw/zinc/29/90/25/459299025.db2.gz MHWIIDIJCZYIBV-MOPGFXCFSA-N 2 0 330.472 3.104 20 0 EGADRP Cc1cnc2cc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000568528656 459303256 /nfs/dbraw/zinc/30/32/56/459303256.db2.gz GMQDPMCOQHCICG-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP CC[C@H](C)C[N@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000482856368 459327206 /nfs/dbraw/zinc/32/72/06/459327206.db2.gz KCDBOTWWIVWFHQ-SFHVURJKSA-N 2 0 345.531 3.267 20 0 EGADRP CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000560343693 459327854 /nfs/dbraw/zinc/32/78/54/459327854.db2.gz UGROGMONNMZITC-QFBILLFUSA-N 2 0 345.531 3.298 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC000483174781 459348848 /nfs/dbraw/zinc/34/88/48/459348848.db2.gz KROHNJBYQKSVFP-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP OCCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000560538681 459368799 /nfs/dbraw/zinc/36/87/99/459368799.db2.gz YVOKLXJAYDXINV-NJDAHSKKSA-N 2 0 330.516 3.429 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(I)cc1 ZINC000591578255 459406197 /nfs/dbraw/zinc/40/61/97/459406197.db2.gz HFRPOWDKMXJRLY-FZMZJTMJSA-N 2 0 344.240 3.084 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000484142923 459407553 /nfs/dbraw/zinc/40/75/53/459407553.db2.gz JIDWTSPNAIECNM-AZUAARDMSA-N 2 0 348.531 3.273 20 0 EGADRP C[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[NH2+]C1 ZINC000560943316 459407739 /nfs/dbraw/zinc/40/77/39/459407739.db2.gz SBMNAMWMPKLFON-GXTWGEPZSA-N 2 0 345.468 3.017 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000560944267 459407895 /nfs/dbraw/zinc/40/78/95/459407895.db2.gz CEYNWJDPUZUPRJ-OLZOCXBDSA-N 2 0 343.393 3.012 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000540940546 459408079 /nfs/dbraw/zinc/40/80/79/459408079.db2.gz GHKBKVXWTWPDHX-UHFFFAOYSA-N 2 0 343.471 3.189 20 0 EGADRP CC1CCC(O)(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000582721317 459415776 /nfs/dbraw/zinc/41/57/76/459415776.db2.gz BGOIWUQSDNNMCW-UHFFFAOYSA-N 2 0 346.515 3.190 20 0 EGADRP CN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C[NH+]1CCCC1 ZINC000561093729 459419886 /nfs/dbraw/zinc/41/98/86/459419886.db2.gz NUZSITTUCJJHMZ-SFHVURJKSA-N 2 0 331.504 3.012 20 0 EGADRP CCc1ccc(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000582837475 459435703 /nfs/dbraw/zinc/43/57/03/459435703.db2.gz BBDWVVADYDFOCG-UHFFFAOYSA-N 2 0 330.516 3.226 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469098 459457660 /nfs/dbraw/zinc/45/76/60/459457660.db2.gz NBYWKOLKHBTJHZ-VQTJNVASSA-N 2 0 348.437 3.151 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000541574316 459467823 /nfs/dbraw/zinc/46/78/23/459467823.db2.gz JKWNONGJULTLLJ-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)C(C)(C)C ZINC000569686447 459493784 /nfs/dbraw/zinc/49/37/84/459493784.db2.gz HXFMOVIYGQZIEC-DOTOQJQBSA-N 2 0 342.911 3.036 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000570004415 459545312 /nfs/dbraw/zinc/54/53/12/459545312.db2.gz AQKDJIGUSUUGNH-IBGZPJMESA-N 2 0 329.488 3.493 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000570044557 459550919 /nfs/dbraw/zinc/55/09/19/459550919.db2.gz QHEXJSFQQVFHHH-HXUWFJFHSA-N 2 0 347.572 3.403 20 0 EGADRP C[C@H](C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)CN1CC[NH+](C)CC1 ZINC000542669032 459580934 /nfs/dbraw/zinc/58/09/34/459580934.db2.gz QWVHZVOEDZMTKC-UFGADOCISA-N 2 0 333.564 3.064 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCCCC[NH2+]1 ZINC000583814735 459600945 /nfs/dbraw/zinc/60/09/45/459600945.db2.gz JMTOIMBBDKUMCC-LJQANCHMSA-N 2 0 329.488 3.186 20 0 EGADRP CC[C@H]1C[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000592489084 459612035 /nfs/dbraw/zinc/61/20/35/459612035.db2.gz PMIIUCZZCZUILS-SWLSCSKDSA-N 2 0 332.366 3.023 20 0 EGADRP Cc1cccc(CN2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC000573113125 459628105 /nfs/dbraw/zinc/62/81/05/459628105.db2.gz XNAQMOZOBQDNIJ-OAQYLSRUSA-N 2 0 329.532 3.376 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000527521986 459654873 /nfs/dbraw/zinc/65/48/73/459654873.db2.gz SXMCZBPOUJMDDW-AEFFLSMTSA-N 2 0 332.488 3.076 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000543416821 459656143 /nfs/dbraw/zinc/65/61/43/459656143.db2.gz SPBVGGUNICPNJM-TUFLPTIASA-N 2 0 328.500 3.303 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000500106889 459664689 /nfs/dbraw/zinc/66/46/89/459664689.db2.gz QHPSNVRBZHVKKU-IHPCNDPISA-N 2 0 345.531 3.180 20 0 EGADRP Cc1ccccc1C[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000500137290 459667507 /nfs/dbraw/zinc/66/75/07/459667507.db2.gz IBRQVZIPIIFYEX-QFIPXVFZSA-N 2 0 343.559 3.418 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000500501353 459681472 /nfs/dbraw/zinc/68/14/72/459681472.db2.gz LUVGZWZIFJYCQB-KURKYZTESA-N 2 0 325.541 3.170 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000527661517 459689948 /nfs/dbraw/zinc/68/99/48/459689948.db2.gz MNIQKTLJVANUAD-APWZRJJASA-N 2 0 329.488 3.395 20 0 EGADRP C[C@@H](Cc1ccsc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000544009982 459719699 /nfs/dbraw/zinc/71/96/99/459719699.db2.gz QXJWNYNWPYKBIF-KSZLIROESA-N 2 0 335.561 3.170 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C1(C[NH3+])CCCC1 ZINC000584472793 459748102 /nfs/dbraw/zinc/74/81/02/459748102.db2.gz FVAVRTZCYQAKJC-UHFFFAOYSA-N 2 0 347.528 3.001 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527851129 459758103 /nfs/dbraw/zinc/75/81/03/459758103.db2.gz QBHKJINFZVUPIZ-QGZVFWFLSA-N 2 0 339.886 3.082 20 0 EGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000574071358 459775982 /nfs/dbraw/zinc/77/59/82/459775982.db2.gz FICZVVKMTVGZHC-VQTJNVASSA-N 2 0 348.531 3.287 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1NCc1cc(F)c(Br)cc1F ZINC000527977191 459786744 /nfs/dbraw/zinc/78/67/44/459786744.db2.gz CONRRHBFEBOHQY-LKFCYVNXSA-N 2 0 333.220 3.157 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410191 459815748 /nfs/dbraw/zinc/81/57/48/459815748.db2.gz BKYKEOUSYCNVCY-YOEHRIQHSA-N 2 0 347.528 3.390 20 0 EGADRP CN1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868467 459863499 /nfs/dbraw/zinc/86/34/99/459863499.db2.gz NJZBGPHXVPCQLS-COXVUDFISA-N 2 0 343.298 3.286 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000574745830 459864779 /nfs/dbraw/zinc/86/47/79/459864779.db2.gz SWXDXDMHWMVSFM-IBGZPJMESA-N 2 0 335.923 3.335 20 0 EGADRP C[NH+](C)CCOCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000574892031 459889633 /nfs/dbraw/zinc/88/96/33/459889633.db2.gz SHKTXUXJMQHPFT-UHFFFAOYSA-N 2 0 339.892 3.131 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cncc(Br)c1 ZINC000575002973 459907086 /nfs/dbraw/zinc/90/70/86/459907086.db2.gz ABTIKDIJZARCDZ-GFCCVEGCSA-N 2 0 326.282 3.369 20 0 EGADRP Cc1ccc(CSCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000602512198 459976360 /nfs/dbraw/zinc/97/63/60/459976360.db2.gz XUBUAGUEGUTSDO-UHFFFAOYSA-N 2 0 336.545 3.053 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CCCCC2)[C@H](C)C1 ZINC000575624328 459989819 /nfs/dbraw/zinc/98/98/19/459989819.db2.gz AJXNAURQEXJLBT-MOPGFXCFSA-N 2 0 340.552 3.310 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000621642308 459994862 /nfs/dbraw/zinc/99/48/62/459994862.db2.gz JYNGYKSECZEPPT-GOSISDBHSA-N 2 0 329.488 3.043 20 0 EGADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NC1CCCC1 ZINC000618442595 460011363 /nfs/dbraw/zinc/01/13/63/460011363.db2.gz BOOVDKZQSBBWDR-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000621748711 460046093 /nfs/dbraw/zinc/04/60/93/460046093.db2.gz KWHLHRVRKBOZMX-QGZVFWFLSA-N 2 0 329.488 3.383 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000598970807 460110012 /nfs/dbraw/zinc/11/00/12/460110012.db2.gz OUZKVTGPOHPUOM-QGZVFWFLSA-N 2 0 349.519 3.266 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1C ZINC000598985891 460117292 /nfs/dbraw/zinc/11/72/92/460117292.db2.gz CPXJDQWOGBGHII-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000618665361 460117680 /nfs/dbraw/zinc/11/76/80/460117680.db2.gz ZVRIWWSEBWKPLB-ROUUACIJSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3nccs3)CC2)c1 ZINC000589639865 460119102 /nfs/dbraw/zinc/11/91/02/460119102.db2.gz LKQGIDMMELZFMF-UHFFFAOYSA-N 2 0 344.528 3.144 20 0 EGADRP COC(=O)CC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000599031320 460134328 /nfs/dbraw/zinc/13/43/28/460134328.db2.gz PFBZDYHXVLJJQH-UHFFFAOYSA-N 2 0 336.520 3.495 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NCCC(C)C ZINC000626062066 460358445 /nfs/dbraw/zinc/35/84/45/460358445.db2.gz FFAGRJIPABMTBO-KRWDZBQOSA-N 2 0 333.520 3.121 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631575452 460451761 /nfs/dbraw/zinc/45/17/61/460451761.db2.gz FPCYJYMOFPRIQJ-TUFLPTIASA-N 2 0 340.511 3.446 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCOC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000634677867 460472035 /nfs/dbraw/zinc/47/20/35/460472035.db2.gz AUWDVAMCUMFOOA-QKLQHJQFSA-N 2 0 346.515 3.343 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCOC(C)(C)C3)cc2)C[C@@H](C)O1 ZINC000634677865 460472049 /nfs/dbraw/zinc/47/20/49/460472049.db2.gz AUWDVAMCUMFOOA-HLIPFELVSA-N 2 0 346.515 3.343 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)CC1 ZINC000634678504 460472075 /nfs/dbraw/zinc/47/20/75/460472075.db2.gz VWXBSSYGXYSCRF-KXBFYZLASA-N 2 0 339.474 3.278 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1OC(F)F ZINC000634733057 460497314 /nfs/dbraw/zinc/49/73/14/460497314.db2.gz WGDDQJVEZIHVGQ-ZDUSSCGKSA-N 2 0 328.403 3.164 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000634732852 460498575 /nfs/dbraw/zinc/49/85/75/460498575.db2.gz QGGJUNXXFVAQRY-CQSZACIVSA-N 2 0 330.394 3.496 20 0 EGADRP C[C@@H]1CN(CCC[NH2+]Cc2csc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000623344869 460500519 /nfs/dbraw/zinc/50/05/19/460500519.db2.gz GVPKQQYILCPPSQ-VXGBXAGGSA-N 2 0 336.423 3.356 20 0 EGADRP C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000628751915 460527888 /nfs/dbraw/zinc/52/78/88/460527888.db2.gz VKFWMVLFFLHOES-LJQANCHMSA-N 2 0 343.515 3.134 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000601289908 460778404 /nfs/dbraw/zinc/77/84/04/460778404.db2.gz WECBDYZLVPMPKG-IHJVYAAUSA-N 2 0 344.499 3.076 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543857 460803109 /nfs/dbraw/zinc/80/31/09/460803109.db2.gz FYPWTLYYQFJLQQ-JGGQBBKZSA-N 2 0 325.859 3.165 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000629556660 460805788 /nfs/dbraw/zinc/80/57/88/460805788.db2.gz WWXOWCJMHHYPDA-INDMIFKZSA-N 2 0 334.891 3.464 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561845 460808471 /nfs/dbraw/zinc/80/84/71/460808471.db2.gz JVHZTHPZRZENBI-CVEARBPZSA-N 2 0 330.394 3.052 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000617344877 460818927 /nfs/dbraw/zinc/81/89/27/460818927.db2.gz RELOJYKWVXPEGF-GOSISDBHSA-N 2 0 331.504 3.131 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000624121689 460871179 /nfs/dbraw/zinc/87/11/79/460871179.db2.gz BBIOELVFPVPLRA-DZGCQCFKSA-N 2 0 325.522 3.023 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2cccc([C@H](CO)[NH2+]C)c2)cc1 ZINC000629705748 460878142 /nfs/dbraw/zinc/87/81/42/460878142.db2.gz PGCLWCLLBOUZHU-NRFANRHFSA-N 2 0 342.483 3.327 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)ccc21 ZINC000632953663 460906067 /nfs/dbraw/zinc/90/60/67/460906067.db2.gz SXTMKSJOLMROHV-AEFFLSMTSA-N 2 0 344.503 3.135 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000635996902 461003161 /nfs/dbraw/zinc/00/31/61/461003161.db2.gz LBYRXPLSHYFSNQ-MOPGFXCFSA-N 2 0 327.472 3.191 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183143 461035581 /nfs/dbraw/zinc/03/55/81/461035581.db2.gz RVWVCTPRTXVWNY-DZGCQCFKSA-N 2 0 325.447 3.335 20 0 EGADRP Cc1ccc([C@@H](C)C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000628203300 461047660 /nfs/dbraw/zinc/04/76/60/461047660.db2.gz BNKIMXXFCXXORP-SFHVURJKSA-N 2 0 338.499 3.035 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659018015 461140932 /nfs/dbraw/zinc/14/09/32/461140932.db2.gz BUFYFKMZVSYMBO-MRXNPFEDSA-N 2 0 332.492 3.038 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000652348770 461141736 /nfs/dbraw/zinc/14/17/36/461141736.db2.gz QVMSIGAAGRQFRG-KSZLIROESA-N 2 0 341.455 3.060 20 0 EGADRP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652346892 461142570 /nfs/dbraw/zinc/14/25/70/461142570.db2.gz LAVSAXHOOQDVSD-ZVDOUQERSA-N 2 0 346.515 3.291 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290551 461167853 /nfs/dbraw/zinc/16/78/53/461167853.db2.gz VZIHRUPMXPWWQF-QFBILLFUSA-N 2 0 343.515 3.288 20 0 EGADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000662294494 461171626 /nfs/dbraw/zinc/17/16/26/461171626.db2.gz WYLAAVDRDYCDBW-AWEZNQCLSA-N 2 0 327.394 3.312 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295200 461173860 /nfs/dbraw/zinc/17/38/60/461173860.db2.gz FWWJWQKWQGWKAA-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295171 461173885 /nfs/dbraw/zinc/17/38/85/461173885.db2.gz FSASCAQAFYVBON-AEFFLSMTSA-N 2 0 329.488 3.034 20 0 EGADRP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312423 461184753 /nfs/dbraw/zinc/18/47/53/461184753.db2.gz CDTWRFVGEGWAQX-ZHALLVOQSA-N 2 0 331.504 3.045 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCc2cncc(C)n2)CC1)CC(C)C ZINC000649573998 461188203 /nfs/dbraw/zinc/18/82/03/461188203.db2.gz XOCVBPRLOLPGGV-UHFFFAOYSA-N 2 0 332.536 3.408 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000662375213 461219613 /nfs/dbraw/zinc/21/96/13/461219613.db2.gz VPBQYUAPLGAFQE-SFTDATJTSA-N 2 0 349.478 3.174 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000662375210 461219681 /nfs/dbraw/zinc/21/96/81/461219681.db2.gz VPBQYUAPLGAFQE-LEWJYISDSA-N 2 0 349.478 3.174 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662455253 461248592 /nfs/dbraw/zinc/24/85/92/461248592.db2.gz WGOIEJWVJJAYKR-AWEZNQCLSA-N 2 0 349.544 3.024 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655444039 461254155 /nfs/dbraw/zinc/25/41/55/461254155.db2.gz IBEAXKDKCYPXBK-PBEJRMEISA-N 2 0 341.499 3.389 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1)C(C)C ZINC000646481543 461289766 /nfs/dbraw/zinc/28/97/66/461289766.db2.gz OOOTXJOUJKDYGN-LPHOPBHVSA-N 2 0 331.504 3.082 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675329 461343268 /nfs/dbraw/zinc/34/32/68/461343268.db2.gz LKKYVPPKSCSELG-LPHOPBHVSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000649782712 461348840 /nfs/dbraw/zinc/34/88/40/461348840.db2.gz QIYMIAMFBYFUBY-KBAYOESNSA-N 2 0 346.519 3.322 20 0 EGADRP CC1(C)CC[NH2+][C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000662698407 461352111 /nfs/dbraw/zinc/35/21/11/461352111.db2.gz LVRUJKBLYCNBRO-IBGZPJMESA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)CC[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641775552 461365302 /nfs/dbraw/zinc/36/53/02/461365302.db2.gz MNQKNEDTUWGTDE-IBGZPJMESA-N 2 0 347.547 3.104 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H]1CCOC1 ZINC000638367146 461391106 /nfs/dbraw/zinc/39/11/06/461391106.db2.gz MKXLZMLWYCXJMH-JRGCBEDISA-N 2 0 346.515 3.202 20 0 EGADRP Cn1c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc2ccccc21 ZINC000638380407 461397549 /nfs/dbraw/zinc/39/75/49/461397549.db2.gz CBGIWWRURZLEGW-UHFFFAOYSA-N 2 0 337.467 3.409 20 0 EGADRP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398753 /nfs/dbraw/zinc/39/87/53/461398753.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 2 0 327.516 3.286 20 0 EGADRP [NH3+][C@@H](CCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)CC1CCCCC1 ZINC000663005548 461424959 /nfs/dbraw/zinc/42/49/59/461424959.db2.gz WFDGGYZQSJZGHE-PMACEKPBSA-N 2 0 349.563 3.303 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)c2cccc(Cl)c2)CC1 ZINC000638452278 461435073 /nfs/dbraw/zinc/43/50/73/461435073.db2.gz WRZBTTRAUPPTIO-UHFFFAOYSA-N 2 0 338.923 3.443 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653108573 461504363 /nfs/dbraw/zinc/50/43/63/461504363.db2.gz AEAYUAKWXHEMCN-QZTJIDSGSA-N 2 0 343.515 3.067 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653110845 461506395 /nfs/dbraw/zinc/50/63/95/461506395.db2.gz WQNAOPAGNRUJMS-OALUTQOASA-N 2 0 327.472 3.142 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)c2cc1OC ZINC000663243200 461524713 /nfs/dbraw/zinc/52/47/13/461524713.db2.gz YCYUTBPRZYTSFH-RDBSUJKOSA-N 2 0 329.444 3.062 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000642643602 461543796 /nfs/dbraw/zinc/54/37/96/461543796.db2.gz FKTKGRANOUGCQF-FQEVSTJZSA-N 2 0 348.531 3.097 20 0 EGADRP COc1cc(Cl)c(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000631108327 461558294 /nfs/dbraw/zinc/55/82/94/461558294.db2.gz ALIMYKLSNBOGJQ-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(N2CCCC2)c1 ZINC000638766123 461567740 /nfs/dbraw/zinc/56/77/40/461567740.db2.gz SJCUYYQHONQIFY-QGZVFWFLSA-N 2 0 345.531 3.173 20 0 EGADRP CO[C@@H](C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CCOCC1 ZINC000638775442 461572426 /nfs/dbraw/zinc/57/24/26/461572426.db2.gz GNUOVLUAZRNOJH-MHJFOBGBSA-N 2 0 338.536 3.061 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC[C@H]1CCc2ccccc21 ZINC000660115557 461588183 /nfs/dbraw/zinc/58/81/83/461588183.db2.gz BIBNDFCXSGHXFZ-VURPSTOHSA-N 2 0 328.500 3.290 20 0 EGADRP CC(C)CNC(=O)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000660122784 461592236 /nfs/dbraw/zinc/59/22/36/461592236.db2.gz ZEKUOUSAZCDREI-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253363 461592743 /nfs/dbraw/zinc/59/27/43/461592743.db2.gz QZTWVOUBBUZUTL-YOEHRIQHSA-N 2 0 335.517 3.186 20 0 EGADRP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000660122855 461593091 /nfs/dbraw/zinc/59/30/91/461593091.db2.gz ZNFSVMFNFSWYFG-AQNXPRMDSA-N 2 0 347.547 3.022 20 0 EGADRP COc1ccc([C@H](CC(C)C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000647288588 461614855 /nfs/dbraw/zinc/61/48/55/461614855.db2.gz HSCJQXFSURDDHB-XLIONFOSSA-N 2 0 333.520 3.008 20 0 EGADRP CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000666419047 461615790 /nfs/dbraw/zinc/61/57/90/461615790.db2.gz YQALLGFJLKELIT-UWJYYQICSA-N 2 0 346.515 3.454 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000638862207 461625384 /nfs/dbraw/zinc/62/53/84/461625384.db2.gz NXHZTXDLTRJVBX-HKUYNNGSSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638873984 461634467 /nfs/dbraw/zinc/63/44/67/461634467.db2.gz OJZUWINAEFDBHG-YFVAEKQCSA-N 2 0 327.516 3.286 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663466957 461655169 /nfs/dbraw/zinc/65/51/69/461655169.db2.gz CBZODALILONSBD-WBVHZDCISA-N 2 0 332.488 3.476 20 0 EGADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467965 461656647 /nfs/dbraw/zinc/65/66/47/461656647.db2.gz IZPZBRHBMKZKLJ-IEBWSBKVSA-N 2 0 343.515 3.140 20 0 EGADRP Cn1c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc2ccccc21 ZINC000638977157 461666001 /nfs/dbraw/zinc/66/60/01/461666001.db2.gz OEZPPCRGUBGBBQ-NRFANRHFSA-N 2 0 349.478 3.035 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c2ccccc12 ZINC000639057691 461698104 /nfs/dbraw/zinc/69/81/04/461698104.db2.gz UQWTYMHTWGNNFY-MRXNPFEDSA-N 2 0 329.463 3.095 20 0 EGADRP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000647511767 461743196 /nfs/dbraw/zinc/74/31/96/461743196.db2.gz AYIUHBISYGHLNR-DZJNRPSUSA-N 2 0 332.488 3.432 20 0 EGADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643493767 461744137 /nfs/dbraw/zinc/74/41/37/461744137.db2.gz MELVSNGMLZXBKP-LLUDDFSJSA-N 2 0 346.515 3.011 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCCC[NH2+]3)[C@H]3CCC[C@H]32)cc1 ZINC000643502709 461749355 /nfs/dbraw/zinc/74/93/55/461749355.db2.gz OPIMZHDWYDVNOL-JSXRDJHFSA-N 2 0 327.516 3.161 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCCC[NH2+]3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643502710 461749393 /nfs/dbraw/zinc/74/93/93/461749393.db2.gz OPIMZHDWYDVNOL-TUFLPTIASA-N 2 0 327.516 3.161 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000647543504 461757193 /nfs/dbraw/zinc/75/71/93/461757193.db2.gz OKRCDKNFSWSMOG-JKSUJKDBSA-N 2 0 344.528 3.360 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)c(F)c1 ZINC000643537020 461757597 /nfs/dbraw/zinc/75/75/97/461757597.db2.gz YDMQNOFVGUEQCS-IINYFYTJSA-N 2 0 327.241 3.381 20 0 EGADRP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543682 461758427 /nfs/dbraw/zinc/75/84/27/461758427.db2.gz RCSMOGAHYKIAFH-GJZGRUSLSA-N 2 0 330.501 3.350 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543814 461759615 /nfs/dbraw/zinc/75/96/15/461759615.db2.gz SJUGMXZJWAVHKP-QZTJIDSGSA-N 2 0 332.488 3.306 20 0 EGADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643548040 461761064 /nfs/dbraw/zinc/76/10/64/461761064.db2.gz LZAMFQMREMHODI-DNNBLBMLSA-N 2 0 337.305 3.358 20 0 EGADRP C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643549065 461761315 /nfs/dbraw/zinc/76/13/15/461761315.db2.gz ZSLWGAUDZXKPDQ-SXLOBPIMSA-N 2 0 327.516 3.161 20 0 EGADRP Clc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC000647549057 461763030 /nfs/dbraw/zinc/76/30/30/461763030.db2.gz GXUJVCRYYPYKTN-YESZJQIVSA-N 2 0 348.918 3.366 20 0 EGADRP Clc1cccc2c1OC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656507217 461771104 /nfs/dbraw/zinc/77/11/04/461771104.db2.gz ZEZVIYDIKGVZKX-KRWDZBQOSA-N 2 0 329.831 3.427 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccncc3Br)C2)CC1 ZINC000639175978 461782580 /nfs/dbraw/zinc/78/25/80/461782580.db2.gz BYIZILGCZZPRRX-CQSZACIVSA-N 2 0 338.293 3.008 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660447921 461785700 /nfs/dbraw/zinc/78/57/00/461785700.db2.gz KSYOGNQQWCWIFM-CZAYHTPWSA-N 2 0 341.543 3.028 20 0 EGADRP C[NH2+]Cc1ccccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666810200 461812259 /nfs/dbraw/zinc/81/22/59/461812259.db2.gz ABHXJJHLTNEJIY-UHFFFAOYSA-N 2 0 339.483 3.493 20 0 EGADRP Cn1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(-c2cc3ccccc3o2)n1 ZINC000666842272 461828766 /nfs/dbraw/zinc/82/87/66/461828766.db2.gz IZBAFMPCBUUQTR-FQEVSTJZSA-N 2 0 338.455 3.313 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC1CCCC1 ZINC000647784292 461833717 /nfs/dbraw/zinc/83/37/17/461833717.db2.gz PPNUWDSXORBDJR-KZNAEPCWSA-N 2 0 344.499 3.494 20 0 EGADRP Clc1cccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N2CCCC2)c1 ZINC000647788987 461835646 /nfs/dbraw/zinc/83/56/46/461835646.db2.gz WKUXINRPUVLIEY-CUDHKJQZSA-N 2 0 347.934 3.455 20 0 EGADRP COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@H](O)C[N@H+](C)C(C)C ZINC000660533067 461836033 /nfs/dbraw/zinc/83/60/33/461836033.db2.gz BJSJGGHDZQBTEJ-SCTDSRPQSA-N 2 0 334.504 3.169 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855398 461837477 /nfs/dbraw/zinc/83/74/77/461837477.db2.gz PSTDZVALBIXYMY-LJQANCHMSA-N 2 0 326.488 3.088 20 0 EGADRP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000639311275 461854795 /nfs/dbraw/zinc/85/47/95/461854795.db2.gz JWAXLDAUVCAYRZ-FQEVSTJZSA-N 2 0 331.504 3.088 20 0 EGADRP C[N@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647882674 461869884 /nfs/dbraw/zinc/86/98/84/461869884.db2.gz LPAGIJZNPBRUPW-MRXNPFEDSA-N 2 0 344.478 3.470 20 0 EGADRP O=C(Nc1ccccc1)NC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647882109 461870598 /nfs/dbraw/zinc/87/05/98/461870598.db2.gz KYUXAWHZUPQVDW-UHFFFAOYSA-N 2 0 344.503 3.052 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2CCc3ccccc3CC2)CC1 ZINC000639345694 461874246 /nfs/dbraw/zinc/87/42/46/461874246.db2.gz LPWWACOQHXYRBY-UHFFFAOYSA-N 2 0 330.516 3.007 20 0 EGADRP Cn1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(-c2cc3ccccc3o2)n1 ZINC000666952209 461884791 /nfs/dbraw/zinc/88/47/91/461884791.db2.gz KJHIVAYTEUSCKQ-SFHVURJKSA-N 2 0 336.439 3.065 20 0 EGADRP CC1([NH3+])CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000647925543 461888957 /nfs/dbraw/zinc/88/89/57/461888957.db2.gz NANYTTVAYJUSNC-UHFFFAOYSA-N 2 0 330.259 3.135 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000639374685 461894552 /nfs/dbraw/zinc/89/45/52/461894552.db2.gz IYJHSMYUDMZDKI-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650707046 461899473 /nfs/dbraw/zinc/89/94/73/461899473.db2.gz XLEBBZADGQOPBR-OFQRWUPVSA-N 2 0 337.533 3.159 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH3+])CCCC1 ZINC000656788873 461899904 /nfs/dbraw/zinc/89/99/04/461899904.db2.gz FDZUKJBRBRDBRH-LBPRGKRZSA-N 2 0 343.393 3.284 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)C1 ZINC000650707693 461900924 /nfs/dbraw/zinc/90/09/24/461900924.db2.gz KYLYLLAGWSORIN-QKNQBKEWSA-N 2 0 346.515 3.454 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000650707548 461901200 /nfs/dbraw/zinc/90/12/00/461901200.db2.gz IJLGDGVOOZNDSS-JJRVBVJISA-N 2 0 326.843 3.197 20 0 EGADRP c1ccc([C@@H]2C[C@H](Nc3ccc([C@H]4C[NH2+]CCO4)cc3)CC[NH2+]2)cc1 ZINC000656790859 461901623 /nfs/dbraw/zinc/90/16/23/461901623.db2.gz ACCCGGGTWXLMFN-QHAWAJNXSA-N 2 0 337.467 3.253 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000650708058 461901653 /nfs/dbraw/zinc/90/16/53/461901653.db2.gz SQNAEQISYOTGRJ-UNEWFSDZSA-N 2 0 326.843 3.197 20 0 EGADRP CCCOc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OC ZINC000650718696 461910764 /nfs/dbraw/zinc/91/07/64/461910764.db2.gz UDNOISRIUAJVAL-UHFFFAOYSA-N 2 0 332.419 3.372 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722272 461913832 /nfs/dbraw/zinc/91/38/32/461913832.db2.gz ONFCHNZSOKTERA-RLLQIKCJSA-N 2 0 332.488 3.336 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000650721996 461914888 /nfs/dbraw/zinc/91/48/88/461914888.db2.gz HZPONRVUERFBEY-QRVBRYPASA-N 2 0 325.456 3.096 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976178 461919251 /nfs/dbraw/zinc/91/92/51/461919251.db2.gz LGJDQACPZHTQQK-BZUAXINKSA-N 2 0 349.906 3.379 20 0 EGADRP c1cc2c(cc1[C@@H]([NH2+]CCCC1CC[NH2+]CC1)C1CC1)OCCO2 ZINC000647992244 461926748 /nfs/dbraw/zinc/92/67/48/461926748.db2.gz WNUYGXRBEIGJHD-FQEVSTJZSA-N 2 0 330.472 3.278 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)OCCO2 ZINC000650752931 461934507 /nfs/dbraw/zinc/93/45/07/461934507.db2.gz CUIAPUGJTPMRMT-KRWDZBQOSA-N 2 0 330.403 3.297 20 0 EGADRP CC(C)Cn1nccc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000648036030 461953053 /nfs/dbraw/zinc/95/30/53/461953053.db2.gz ZGHQUQSVOZUDQI-UHFFFAOYSA-N 2 0 329.492 3.428 20 0 EGADRP CCCOc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)c1 ZINC000657304297 462031513 /nfs/dbraw/zinc/03/15/13/462031513.db2.gz YEAMTGSPSWVAKJ-NRFANRHFSA-N 2 0 347.547 3.145 20 0 EGADRP COc1ncc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC000639659478 462044228 /nfs/dbraw/zinc/04/42/28/462044228.db2.gz MLOLTVJPCBEZCJ-HXUWFJFHSA-N 2 0 325.456 3.161 20 0 EGADRP C[C@@H](c1noc(-c2ccccc2)n1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682900 462055385 /nfs/dbraw/zinc/05/53/85/462055385.db2.gz CXYFTSRBVGMNNK-INIZCTEOSA-N 2 0 349.438 3.405 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3ccnn3CC3CC3)CC2)c1 ZINC000657338414 462057096 /nfs/dbraw/zinc/05/70/96/462057096.db2.gz OQORZCFWFFCFBG-UHFFFAOYSA-N 2 0 344.528 3.356 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657412758 462106259 /nfs/dbraw/zinc/10/62/59/462106259.db2.gz DSCWPWIKAQVKAR-CTNGQTDRSA-N 2 0 346.515 3.312 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2c(C)cccc2C)CC1 ZINC000661134881 462120691 /nfs/dbraw/zinc/12/06/91/462120691.db2.gz WXNFZMYIDAKRQS-IBGZPJMESA-N 2 0 343.515 3.041 20 0 EGADRP Cc1c(Br)cncc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000657481816 462149822 /nfs/dbraw/zinc/14/98/22/462149822.db2.gz LHNVYXTWSUIGHI-UHFFFAOYSA-N 2 0 328.298 3.363 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000645084215 462173670 /nfs/dbraw/zinc/17/36/70/462173670.db2.gz FEWNJBXUVABFIH-UHFFFAOYSA-N 2 0 335.492 3.160 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC3(CCSCC3)CC2)CC1 ZINC000639982721 462203730 /nfs/dbraw/zinc/20/37/30/462203730.db2.gz HUZYJZICXZJHBP-UHFFFAOYSA-N 2 0 339.593 3.012 20 0 EGADRP c1cn2c(n1)[C@H](N[C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000648629215 462207178 /nfs/dbraw/zinc/20/71/78/462207178.db2.gz VARITUOJCOFWKU-LWYYNNOASA-N 2 0 336.483 3.218 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)c2ccccn2)cc1 ZINC000648650008 462212680 /nfs/dbraw/zinc/21/26/80/462212680.db2.gz VRGUOSJXJXDGDS-UHFFFAOYSA-N 2 0 327.472 3.089 20 0 EGADRP CN(c1ccccc1C[NH2+]CCc1ccoc1)C1CC[NH+](C)CC1 ZINC000657654724 462217941 /nfs/dbraw/zinc/21/79/41/462217941.db2.gz ZIMMHHCPQACSNT-UHFFFAOYSA-N 2 0 327.472 3.142 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667732148 462237059 /nfs/dbraw/zinc/23/70/59/462237059.db2.gz CPEZTGPYCKSZAC-UHFFFAOYSA-N 2 0 340.471 3.309 20 0 EGADRP CC1(C)C[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000651596201 462273121 /nfs/dbraw/zinc/27/31/21/462273121.db2.gz VBGFFQNYKKTZFE-LJQANCHMSA-N 2 0 346.515 3.456 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000657838171 462290532 /nfs/dbraw/zinc/29/05/32/462290532.db2.gz ZHRKDGSRWDPOHD-VQIMIIECSA-N 2 0 337.939 3.277 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000657868658 462303041 /nfs/dbraw/zinc/30/30/41/462303041.db2.gz CMXXAEUOFKDOIV-LPHOPBHVSA-N 2 0 337.939 3.134 20 0 EGADRP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000651699088 462307571 /nfs/dbraw/zinc/30/75/71/462307571.db2.gz GRHVQMROOHEELB-APWZRJJASA-N 2 0 331.504 3.036 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000657882016 462307616 /nfs/dbraw/zinc/30/76/16/462307616.db2.gz WGWUQESVQAULEB-OALUTQOASA-N 2 0 338.923 3.488 20 0 EGADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000651829785 462350627 /nfs/dbraw/zinc/35/06/27/462350627.db2.gz MYLPVLZLEGZETQ-SFHVURJKSA-N 2 0 326.488 3.311 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000665240571 462364576 /nfs/dbraw/zinc/36/45/76/462364576.db2.gz NTNMIYKQGLAFIN-RTWAWAEBSA-N 3 0 336.483 3.028 20 0 EGADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000665264801 462375982 /nfs/dbraw/zinc/37/59/82/462375982.db2.gz IJEMKVBTSNYTNW-APHBMKBZSA-N 2 0 329.271 3.240 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090368 462378264 /nfs/dbraw/zinc/37/82/64/462378264.db2.gz GROCXUZSJKLXJH-FUHWJXTLSA-N 2 0 333.520 3.150 20 0 EGADRP c1ccc(CN2CCCO[C@@H](C[N@@H+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290027 462387074 /nfs/dbraw/zinc/38/70/74/462387074.db2.gz GBRMBLVVAJEPHF-NHCUHLMSSA-N 2 0 328.500 3.400 20 0 EGADRP c1ccc([C@@H]2C[C@H](NC[C@H]3CCC[N@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299672 462391623 /nfs/dbraw/zinc/39/16/23/462391623.db2.gz RBEKVVXIJUTFAH-NRSPTQNISA-N 3 0 327.516 3.191 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)ccn1 ZINC000658167893 462415843 /nfs/dbraw/zinc/41/58/43/462415843.db2.gz UQUFITAZKUREDV-INIZCTEOSA-N 2 0 340.471 3.048 20 0 EGADRP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531710 462431087 /nfs/dbraw/zinc/43/10/87/462431087.db2.gz PIRIVUYSZREVQJ-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140368 462447741 /nfs/dbraw/zinc/44/77/41/462447741.db2.gz MIUVXGUXMPPQQB-BBWFWOEESA-N 2 0 348.487 3.380 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000649288220 462468504 /nfs/dbraw/zinc/46/85/04/462468504.db2.gz DDFOUVFGPQFOFT-UHFFFAOYSA-N 2 0 331.504 3.052 20 0 EGADRP CC1CC[NH+](CCC[C@@H]([NH2+][C@H]2C[C@H](O)C2)c2ccc(F)cc2)CC1 ZINC000658349135 462485684 /nfs/dbraw/zinc/48/56/84/462485684.db2.gz UWDVPHBAYARWCF-VAMGGRTRSA-N 2 0 334.479 3.492 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000658353510 462487383 /nfs/dbraw/zinc/48/73/83/462487383.db2.gz NMRWCKQLUSAJEX-INIZCTEOSA-N 2 0 339.487 3.040 20 0 EGADRP c1ccc([C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2cncnc2)cc1 ZINC000658357318 462488198 /nfs/dbraw/zinc/48/81/98/462488198.db2.gz STRWMSZPKZSXHN-OAQYLSRUSA-N 2 0 336.483 3.278 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000658356157 462488437 /nfs/dbraw/zinc/48/84/37/462488437.db2.gz IUYNXWQUQSLRHE-HNNXBMFYSA-N 2 0 332.488 3.476 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000130339617 533902395 /nfs/dbraw/zinc/90/23/95/533902395.db2.gz POLBGMAVDDLLML-YWZLYKJASA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154061155 533903688 /nfs/dbraw/zinc/90/36/88/533903688.db2.gz WNXCDSINRUOHGL-QFBILLFUSA-N 2 0 345.487 3.174 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC[N@@H+]1C ZINC000178462490 533942817 /nfs/dbraw/zinc/94/28/17/533942817.db2.gz AXRZVIOIRZWMFV-SJLPKXTDSA-N 2 0 344.499 3.342 20 0 EGADRP Cc1ccc(C[C@@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191494378 534133707 /nfs/dbraw/zinc/13/37/07/534133707.db2.gz IQCBENDFMCBQCY-QFIPXVFZSA-N 2 0 343.559 3.418 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000189573111 534187570 /nfs/dbraw/zinc/18/75/70/534187570.db2.gz YOONEZAFEXSEKI-YADHBBJMSA-N 2 0 341.543 3.210 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000276374423 517644991 /nfs/dbraw/zinc/64/49/91/517644991.db2.gz CGPLBORVONZLRJ-UHFFFAOYSA-N 2 0 343.515 3.230 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000280422027 517656741 /nfs/dbraw/zinc/65/67/41/517656741.db2.gz WXDFYLDUEWKTJG-IAGOWNOFSA-N 2 0 337.939 3.449 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000177927055 534447152 /nfs/dbraw/zinc/44/71/52/534447152.db2.gz QTRZTWUCDZZJPY-DVOMOZLQSA-N 2 0 341.293 3.146 20 0 EGADRP [NH3+]CC1(CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCCC1 ZINC000184224477 534589748 /nfs/dbraw/zinc/58/97/48/534589748.db2.gz ZMCXFCQIHOEDIU-IBGZPJMESA-N 2 0 343.515 3.239 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000154283530 529145100 /nfs/dbraw/zinc/14/51/00/529145100.db2.gz ADQICGFZLOTSBY-CQSZACIVSA-N 2 0 327.875 3.157 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000154300004 529145435 /nfs/dbraw/zinc/14/54/35/529145435.db2.gz MGEIDZDNBXMITR-GOSISDBHSA-N 2 0 333.520 3.152 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187856379 529187142 /nfs/dbraw/zinc/18/71/42/529187142.db2.gz RYYALVXUUQXKBB-LJQANCHMSA-N 2 0 342.462 3.213 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000236599942 535162002 /nfs/dbraw/zinc/16/20/02/535162002.db2.gz YHBCAOIWJVISJP-UHFFFAOYSA-N 2 0 338.879 3.116 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000344833694 535754785 /nfs/dbraw/zinc/75/47/85/535754785.db2.gz ZMSJDZBFFJKNDS-LJQANCHMSA-N 2 0 343.515 3.020 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000353470958 535925024 /nfs/dbraw/zinc/92/50/24/535925024.db2.gz QZUPTBVAVLXDBG-MNEFBYGVSA-N 2 0 329.488 3.245 20 0 EGADRP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000348056387 536419845 /nfs/dbraw/zinc/41/98/45/536419845.db2.gz RDWQQRCIOLGTGA-NQIIRXRSSA-N 2 0 326.484 3.017 20 0 EGADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CCOCC1 ZINC000093315086 546683874 /nfs/dbraw/zinc/68/38/74/546683874.db2.gz JZGSEOVEXFBCOR-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP Cn1cccc1C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093584905 546685277 /nfs/dbraw/zinc/68/52/77/546685277.db2.gz TYFUFQLUJJUMPB-UHFFFAOYSA-N 2 0 327.472 3.132 20 0 EGADRP C[C@@H](CC[N@H+](C)CCC1CCOCC1)[NH+](C)CCC1CCOCC1 ZINC000153743049 546882944 /nfs/dbraw/zinc/88/29/44/546882944.db2.gz PVUQNAXVDJPYIP-SFHVURJKSA-N 2 0 340.552 3.262 20 0 EGADRP C[C@H]([NH2+]CCc1cc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000155380603 546902309 /nfs/dbraw/zinc/90/23/09/546902309.db2.gz OQGICTHGVHJZNN-LBPRGKRZSA-N 2 0 343.284 3.451 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166426421 546987132 /nfs/dbraw/zinc/98/71/32/546987132.db2.gz RWHYWBWGZUNTBC-HUUCEWRRSA-N 2 0 335.879 3.193 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000183291133 547095192 /nfs/dbraw/zinc/09/51/92/547095192.db2.gz UNAQNUVYYJQTGR-UHFFFAOYSA-N 2 0 330.501 3.212 20 0 EGADRP Cc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000280566180 547373236 /nfs/dbraw/zinc/37/32/36/547373236.db2.gz LHEUQGKVALRRJX-ILWGZMRPSA-N 2 0 335.495 3.433 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310894534 547461350 /nfs/dbraw/zinc/46/13/50/547461350.db2.gz ZXHIZEQIWIZAEJ-HOJAQTOUSA-N 2 0 345.531 3.024 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310859321 547462149 /nfs/dbraw/zinc/46/21/49/547462149.db2.gz CECJUCDRFLBFAT-PMACEKPBSA-N 2 0 345.531 3.026 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000339239534 547571524 /nfs/dbraw/zinc/57/15/24/547571524.db2.gz ZNVGWJBOSUVBEC-IAGOWNOFSA-N 2 0 349.544 3.266 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000339229362 547571643 /nfs/dbraw/zinc/57/16/43/547571643.db2.gz GZSIJOMAUGUCHW-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000361371075 547762509 /nfs/dbraw/zinc/76/25/09/547762509.db2.gz DWIYZTIWDLWSRF-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000392071110 547831745 /nfs/dbraw/zinc/83/17/45/547831745.db2.gz HWKPIGKZEOLTGP-AWEZNQCLSA-N 2 0 336.476 3.095 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)N1CC[NH+](C)CC1 ZINC000657348862 548168525 /nfs/dbraw/zinc/16/85/25/548168525.db2.gz KFNONRPLNRBSIS-INIZCTEOSA-N 2 0 329.513 3.141 20 0 EGADRP CN(CCCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000673840003 548637289 /nfs/dbraw/zinc/63/72/89/548637289.db2.gz QXNHSAHDIJKXQG-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C[C@@H](C)O1 ZINC000675784216 548980882 /nfs/dbraw/zinc/98/08/82/548980882.db2.gz WNRFTNKCZYIWIZ-CLCXKQKWSA-N 2 0 336.907 3.286 20 0 EGADRP C[C@@H](CC1CCC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000675832225 548991926 /nfs/dbraw/zinc/99/19/26/548991926.db2.gz JYNUWJXSHRPSPX-JXFKEZNVSA-N 2 0 343.515 3.052 20 0 EGADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000676572176 549111141 /nfs/dbraw/zinc/11/11/41/549111141.db2.gz OMUXSXBKYAXTPQ-ICSRJNTNSA-N 2 0 332.488 3.208 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000676639535 549120859 /nfs/dbraw/zinc/12/08/59/549120859.db2.gz MSAOBIDKWCUQAH-AWEZNQCLSA-N 2 0 333.476 3.036 20 0 EGADRP CC(C)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccn1 ZINC000678194305 549422295 /nfs/dbraw/zinc/42/22/95/549422295.db2.gz RCFLNGSDBDWCRH-UHFFFAOYSA-N 2 0 327.472 3.433 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)nc2C)[C@@H](C)C1 ZINC000678426058 549488909 /nfs/dbraw/zinc/48/89/09/549488909.db2.gz FDXDDFVOPRCKEK-CVAIRZPRSA-N 2 0 333.520 3.486 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)nc2C)[C@@H](C)C1 ZINC000678426060 549489044 /nfs/dbraw/zinc/48/90/44/549489044.db2.gz FDXDDFVOPRCKEK-QSFXBCCZSA-N 2 0 333.520 3.486 20 0 EGADRP CCC1(O)CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000678549407 549518378 /nfs/dbraw/zinc/51/83/78/549518378.db2.gz VNTVEKHNULZBLJ-VQSBYGRUSA-N 2 0 334.504 3.361 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)ccn1 ZINC000678609153 549531099 /nfs/dbraw/zinc/53/10/99/549531099.db2.gz GQLLULOEUAPBFC-GOSISDBHSA-N 2 0 347.409 3.077 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000679331487 549689695 /nfs/dbraw/zinc/68/96/95/549689695.db2.gz ISEDJOLOBJNUNL-LJQANCHMSA-N 2 0 349.588 3.419 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000679439610 549710213 /nfs/dbraw/zinc/71/02/13/549710213.db2.gz DDQLSDUGMYCUIF-UHFFFAOYSA-N 2 0 325.456 3.290 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCCO1 ZINC000680352969 549854190 /nfs/dbraw/zinc/85/41/90/549854190.db2.gz WKCVQYFDZDXCLV-JOZSIVFUSA-N 2 0 328.500 3.444 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000681250284 549972985 /nfs/dbraw/zinc/97/29/85/549972985.db2.gz CIOQMVYVUOPEBB-MJGOQNOKSA-N 2 0 345.531 3.182 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000682245807 550086315 /nfs/dbraw/zinc/08/63/15/550086315.db2.gz SAHDNAVKIUJTAP-FQEVSTJZSA-N 2 0 332.488 3.018 20 0 EGADRP Oc1cccc2c(NC3CC[NH+](Cc4ccccn4)CC3)cc[nH+]c12 ZINC000682842272 550151980 /nfs/dbraw/zinc/15/19/80/550151980.db2.gz FUIAUBYGIOYFMF-UHFFFAOYSA-N 2 0 334.423 3.412 20 0 EGADRP CC[C@@]1([NH2+]Cc2cccc(C[NH2+][C@]3(CC)CCOC3)c2)CCOC1 ZINC000683044419 550182712 /nfs/dbraw/zinc/18/27/12/550182712.db2.gz FHTSIFAJLOKRDO-WOJBJXKFSA-N 2 0 332.488 3.004 20 0 EGADRP Cc1ccc2cc([C@H](C)[NH2+]CC(C)(C)N3CC[NH+](C)CC3)oc2c1 ZINC000683159938 550198771 /nfs/dbraw/zinc/19/87/71/550198771.db2.gz ZYFCURODQISSPJ-INIZCTEOSA-N 2 0 329.488 3.418 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000683341264 550220198 /nfs/dbraw/zinc/22/01/98/550220198.db2.gz JYYUQJQVZBFMMA-UHFFFAOYSA-N 2 0 336.332 3.172 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683771802 550259885 /nfs/dbraw/zinc/25/98/85/550259885.db2.gz OZLLJGVCMYZXDG-RTWAWAEBSA-N 2 0 339.483 3.092 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1C ZINC000684889652 550381006 /nfs/dbraw/zinc/38/10/06/550381006.db2.gz FCIUBIAIJHCISM-PMACEKPBSA-N 2 0 339.483 3.141 20 0 EGADRP c1ccc2ncc(C[NH2+]Cc3cccc(CN4CCOCC4)c3)cc2c1 ZINC000727467167 574669320 /nfs/dbraw/zinc/66/93/20/574669320.db2.gz OVHVCTRHMDFIBW-UHFFFAOYSA-N 2 0 347.462 3.357 20 0 EGADRP CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731675331 575196736 /nfs/dbraw/zinc/19/67/36/575196736.db2.gz QGZOBTHONJFQRM-IBGZPJMESA-N 2 0 346.515 3.237 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000732273853 575252385 /nfs/dbraw/zinc/25/23/85/575252385.db2.gz DRPLUONLBMZRQW-QRVBRYPASA-N 2 0 337.552 3.362 20 0 EGADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000738515867 576333453 /nfs/dbraw/zinc/33/34/53/576333453.db2.gz BSDIBHXKGSHIID-UHFFFAOYSA-N 2 0 339.483 3.082 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1 ZINC000782295197 1304949484 /nfs/dbraw/zinc/94/94/84/1304949484.db2.gz YJWBTFZUYYUYBN-LJQANCHMSA-N 2 0 335.536 3.036 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000063917729 1292030663 /nfs/dbraw/zinc/03/06/63/1292030663.db2.gz ZJVYCRHARLUYKX-CQSZACIVSA-N 2 0 328.403 3.118 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nccc1-c1cccnc1 ZINC000066795614 1292130732 /nfs/dbraw/zinc/13/07/32/1292130732.db2.gz MMZOZQXHAOWFGO-UHFFFAOYSA-N 2 0 349.482 3.486 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000067223156 1292154512 /nfs/dbraw/zinc/15/45/12/1292154512.db2.gz ORRWCMWLLSFHHG-CQSZACIVSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(O)c3)cc2)C[C@H](C)O1 ZINC000078616539 1292519030 /nfs/dbraw/zinc/51/90/30/1292519030.db2.gz XHRGLFSLVBBJSF-CALCHBBNSA-N 2 0 340.467 3.291 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831088531 1292806787 /nfs/dbraw/zinc/80/67/87/1292806787.db2.gz CJKUBASXRWQYLI-GMNCBBECSA-N 2 0 335.536 3.197 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000108428300 1293081524 /nfs/dbraw/zinc/08/15/24/1293081524.db2.gz SZVSAQNLTIDEIR-IBGZPJMESA-N 2 0 325.456 3.092 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000834566326 1293117540 /nfs/dbraw/zinc/11/75/40/1293117540.db2.gz JYEQUYQWHJLAQR-SNVBAGLBSA-N 2 0 332.311 3.288 20 0 EGADRP CC1([NH+]2CCC2)CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000834784218 1293148054 /nfs/dbraw/zinc/14/80/54/1293148054.db2.gz ZYUOFGRHKXTCOP-MOMVYJMYSA-N 2 0 347.547 3.307 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000118772045 1293242817 /nfs/dbraw/zinc/24/28/17/1293242817.db2.gz SESLRMQSZDJJEG-HXUWFJFHSA-N 2 0 345.531 3.406 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000120730980 1293335540 /nfs/dbraw/zinc/33/55/40/1293335540.db2.gz WJQLUBHKAMPENV-AEFFLSMTSA-N 2 0 334.504 3.345 20 0 EGADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000120744413 1293336140 /nfs/dbraw/zinc/33/61/40/1293336140.db2.gz SYIBNEBKJGZYPV-JTDSTZFVSA-N 2 0 346.471 3.383 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C[NH+]1CCCCC1 ZINC000121112888 1293356314 /nfs/dbraw/zinc/35/63/14/1293356314.db2.gz JSGGHGBBATYRKW-WIYYLYMNSA-N 2 0 346.515 3.456 20 0 EGADRP CC(C)[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000121721091 1293385936 /nfs/dbraw/zinc/38/59/36/1293385936.db2.gz GUPMMMLGIVFXLJ-JOCHJYFZSA-N 2 0 343.559 3.404 20 0 EGADRP C[NH+](C)C1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCC1 ZINC000158817380 1294216450 /nfs/dbraw/zinc/21/64/50/1294216450.db2.gz UTXRUUSTLAZQMX-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000160129744 1294259209 /nfs/dbraw/zinc/25/92/09/1294259209.db2.gz LNJOGVLOLIVTDL-INIZCTEOSA-N 2 0 326.488 3.393 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000180457953 1294891539 /nfs/dbraw/zinc/89/15/39/1294891539.db2.gz MZXSUEZIFLXJAP-MRXNPFEDSA-N 2 0 330.394 3.201 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CCN(C)CC2)ccc1OC ZINC000182234482 1295028236 /nfs/dbraw/zinc/02/82/36/1295028236.db2.gz RIZQOAVZBXWETM-INIZCTEOSA-N 2 0 333.520 3.282 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000870891684 1296131623 /nfs/dbraw/zinc/13/16/23/1296131623.db2.gz HPHFZXNGLADZOK-VBSBHUPXSA-N 2 0 343.515 3.015 20 0 EGADRP c1ccc(CN2CCC[C@@H]2C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000236592832 1296192356 /nfs/dbraw/zinc/19/23/56/1296192356.db2.gz UKVFJILZFBNBFU-LJQANCHMSA-N 2 0 338.451 3.212 20 0 EGADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000245572210 1296315906 /nfs/dbraw/zinc/31/59/06/1296315906.db2.gz GWSYAKVIPGSCAJ-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538109 1296592755 /nfs/dbraw/zinc/59/27/55/1296592755.db2.gz DBDITEGQVUEKTA-DOIPELPJSA-N 2 0 327.516 3.161 20 0 EGADRP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871886353 1296594526 /nfs/dbraw/zinc/59/45/26/1296594526.db2.gz JDLBQJRHFLXRGA-IBGZPJMESA-N 2 0 331.504 3.200 20 0 EGADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261753580 1296600943 /nfs/dbraw/zinc/60/09/43/1296600943.db2.gz CIUUEWATBOYFQF-INIZCTEOSA-N 2 0 338.377 3.266 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262059267 1296616907 /nfs/dbraw/zinc/61/69/07/1296616907.db2.gz QZWKGRYRIXBPIX-UHFFFAOYSA-N 2 0 342.462 3.204 20 0 EGADRP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262101995 1296618407 /nfs/dbraw/zinc/61/84/07/1296618407.db2.gz VRQXUYNXSYQRLQ-UHFFFAOYSA-N 2 0 330.863 3.306 20 0 EGADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000872086025 1296725375 /nfs/dbraw/zinc/72/53/75/1296725375.db2.gz RFWMYFYIESCFFH-VQTJNVASSA-N 2 0 345.531 3.477 20 0 EGADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156494 1296777976 /nfs/dbraw/zinc/77/79/76/1296777976.db2.gz KEGBNPALZUZOEB-ZIFCJYIRSA-N 2 0 335.536 3.007 20 0 EGADRP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000305777299 1297049748 /nfs/dbraw/zinc/04/97/48/1297049748.db2.gz PLBWQFVQIBMPII-VQTJNVASSA-N 2 0 330.516 3.322 20 0 EGADRP C[C@@]1(C[NH2+]C[C@H](O)c2ccccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000310925311 1297104377 /nfs/dbraw/zinc/10/43/77/1297104377.db2.gz RZPBVPNXXJZSMN-SFTDATJTSA-N 2 0 342.458 3.361 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1)[NH+]1CCCC1 ZINC000340173038 1297309583 /nfs/dbraw/zinc/30/95/83/1297309583.db2.gz FMGWTWMNJJEQEU-LMCOJAPRSA-N 2 0 347.551 3.498 20 0 EGADRP COc1ccc(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC000873201766 1297346293 /nfs/dbraw/zinc/34/62/93/1297346293.db2.gz WJLQYXKHXCARAM-UHFFFAOYSA-N 2 0 332.469 3.043 20 0 EGADRP OCCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000873205562 1297349628 /nfs/dbraw/zinc/34/96/28/1297349628.db2.gz PDFIIIVVSGRZRA-IBGZPJMESA-N 2 0 342.508 3.266 20 0 EGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)C1CCCC1 ZINC000873231787 1297372856 /nfs/dbraw/zinc/37/28/56/1297372856.db2.gz DFIGUUBBNRUOJM-VQIMIIECSA-N 2 0 326.488 3.454 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)ncc1F ZINC000873239317 1297381943 /nfs/dbraw/zinc/38/19/43/1297381943.db2.gz SPVJZHLASKQIOB-GMTAPVOTSA-N 2 0 330.245 3.151 20 0 EGADRP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000873241707 1297383788 /nfs/dbraw/zinc/38/37/88/1297383788.db2.gz ILVLHYXIKSTZIY-FDFHNCONSA-N 3 0 341.543 3.266 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000873246555 1297386569 /nfs/dbraw/zinc/38/65/69/1297386569.db2.gz WTBGWUAFMIPGRB-RDJZCZTQSA-N 2 0 329.488 3.242 20 0 EGADRP c1ccc(CN2CCCC[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000873266838 1297398036 /nfs/dbraw/zinc/39/80/36/1297398036.db2.gz RFBMAAWGIZQDSN-MHTWAQMVSA-N 2 0 327.516 3.019 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000873290023 1297412985 /nfs/dbraw/zinc/41/29/85/1297412985.db2.gz NFGZELHGYSJMON-KBPBESRZSA-N 2 0 340.414 3.097 20 0 EGADRP c1ccc(C2CCC([NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000873291833 1297414330 /nfs/dbraw/zinc/41/43/30/1297414330.db2.gz YJVTUGJQFHNDAD-SOAGJPPSSA-N 2 0 328.500 3.461 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000382877000 1297564900 /nfs/dbraw/zinc/56/49/00/1297564900.db2.gz VVTQBWJJKLBOKI-INIZCTEOSA-N 2 0 341.540 3.247 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000386011997 1297586620 /nfs/dbraw/zinc/58/66/20/1297586620.db2.gz VLKPQXCFWMIHPQ-VQIMIIECSA-N 2 0 346.421 3.110 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000391820083 1297645574 /nfs/dbraw/zinc/64/55/74/1297645574.db2.gz NZORGJBNVPLSFY-HNNXBMFYSA-N 2 0 330.394 3.060 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400468540 1297731098 /nfs/dbraw/zinc/73/10/98/1297731098.db2.gz WXPFIVPYFRGUIM-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C2 ZINC000423523096 1297797210 /nfs/dbraw/zinc/79/72/10/1297797210.db2.gz VKZGJJAVJBCTHL-MJGOQNOKSA-N 2 0 326.440 3.069 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000695903739 1298162845 /nfs/dbraw/zinc/16/28/45/1298162845.db2.gz HZGLOSKPZHGGJN-OAHLLOKOSA-N 2 0 335.492 3.141 20 0 EGADRP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000699595027 1298170933 /nfs/dbraw/zinc/17/09/33/1298170933.db2.gz NFRZQHOCXSBPNZ-HOTGVXAUSA-N 2 0 337.508 3.040 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715036115 1298277262 /nfs/dbraw/zinc/27/72/62/1298277262.db2.gz CHJHWMVDBRTJJH-SFTDATJTSA-N 3 0 329.532 3.492 20 0 EGADRP Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000725787027 1298360179 /nfs/dbraw/zinc/36/01/79/1298360179.db2.gz CMHZYUMDMVYKET-KRWDZBQOSA-N 2 0 325.456 3.020 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(CCCC[NH+]3CCCC3)n2)cc1 ZINC000747861700 1298873683 /nfs/dbraw/zinc/87/36/83/1298873683.db2.gz GOYUWGAHSDUDEG-UHFFFAOYSA-N 2 0 328.460 3.217 20 0 EGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H]1CS[C@H](C)C1 ZINC000876828260 1299019714 /nfs/dbraw/zinc/01/97/14/1299019714.db2.gz PFSGFIMMYGQJAR-CABCVRRESA-N 2 0 335.517 3.143 20 0 EGADRP ClC1(Cl)C[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000877034851 1299123420 /nfs/dbraw/zinc/12/34/20/1299123420.db2.gz BYYLPVMDYNRJRQ-OAHLLOKOSA-N 2 0 343.298 3.445 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000877137648 1299177788 /nfs/dbraw/zinc/17/77/88/1299177788.db2.gz ZZDFZXRHOBBXMT-LEWJYISDSA-N 2 0 349.478 3.352 20 0 EGADRP Cc1c(Cl)cccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000877335899 1299251944 /nfs/dbraw/zinc/25/19/44/1299251944.db2.gz ZIBCRFLULPNRFT-UHFFFAOYSA-N 2 0 349.950 3.498 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000877448311 1299307650 /nfs/dbraw/zinc/30/76/50/1299307650.db2.gz DBILZSVBGBQZGF-DBVUQKKJSA-N 2 0 343.515 3.141 20 0 EGADRP Clc1csc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000877626426 1299440733 /nfs/dbraw/zinc/44/07/33/1299440733.db2.gz UXEHYXSLWASRPJ-UHFFFAOYSA-N 2 0 336.892 3.193 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877653559 1299456297 /nfs/dbraw/zinc/45/62/97/1299456297.db2.gz NGZJVGMHYHAKGL-MRXNPFEDSA-N 2 0 339.524 3.003 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C ZINC000877746564 1299523284 /nfs/dbraw/zinc/52/32/84/1299523284.db2.gz FNARCHJFSJMGBW-AATRIKPKSA-N 2 0 341.543 3.337 20 0 EGADRP CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000877795943 1299563197 /nfs/dbraw/zinc/56/31/97/1299563197.db2.gz BEUIHIUUHDBORE-IBGZPJMESA-N 2 0 346.515 3.144 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752313887 1299723311 /nfs/dbraw/zinc/72/33/11/1299723311.db2.gz VTLUCPBHGUSRPL-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP O=C1[C@H]2CCCCC[C@@H]2N1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752802365 1299797702 /nfs/dbraw/zinc/79/77/02/1299797702.db2.gz IKVNJSGEDDZFJK-PMACEKPBSA-N 2 0 347.547 3.323 20 0 EGADRP CCN(C(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000879246945 1300451738 /nfs/dbraw/zinc/45/17/38/1300451738.db2.gz JYKBEYVNPIHQKF-SFHVURJKSA-N 2 0 343.515 3.236 20 0 EGADRP FC[C@@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@@H](CF)C3)ccc2F)C1 ZINC000880300156 1301038036 /nfs/dbraw/zinc/03/80/36/1301038036.db2.gz OVAWPMJTIUPVLQ-HOTGVXAUSA-N 2 0 326.406 3.409 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000765358830 1302252564 /nfs/dbraw/zinc/25/25/64/1302252564.db2.gz FDPSRKHPOVMYGZ-LRDDRELGSA-N 2 0 330.394 3.059 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000883383507 1302423862 /nfs/dbraw/zinc/42/38/62/1302423862.db2.gz AEINXPZJNUWUJA-APWZRJJASA-N 2 0 344.499 3.379 20 0 EGADRP CC[C@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000766359911 1302438216 /nfs/dbraw/zinc/43/82/16/1302438216.db2.gz IKQVREMOLYTECB-IAGOWNOFSA-N 2 0 333.520 3.108 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000883434242 1302443957 /nfs/dbraw/zinc/44/39/57/1302443957.db2.gz KVSSQTLXEJKLHO-ADAARDCZSA-N 2 0 344.499 3.125 20 0 EGADRP C[C@H]([NH2+]CCNc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000766516906 1302466622 /nfs/dbraw/zinc/46/66/22/1302466622.db2.gz YJLDAPIVASDNMV-KRWDZBQOSA-N 2 0 327.472 3.390 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000884463289 1302867572 /nfs/dbraw/zinc/86/75/72/1302867572.db2.gz BTNJLJGMTWNDFM-FQEVSTJZSA-N 2 0 345.531 3.039 20 0 EGADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000886160634 1303380456 /nfs/dbraw/zinc/38/04/56/1303380456.db2.gz YSOLYIHADQQVRX-WOJBJXKFSA-N 2 0 331.504 3.231 20 0 EGADRP C[C@H](NC(=O)CCCC[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000771509117 1303415033 /nfs/dbraw/zinc/41/50/33/1303415033.db2.gz PKBNXZIVOISSPV-PXNSSMCTSA-N 2 0 331.504 3.060 20 0 EGADRP CO[C@@H]1CC[C@H]([NH+](C)[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@@H](OC)C3)CC2)C1 ZINC000886389449 1303454519 /nfs/dbraw/zinc/45/45/19/1303454519.db2.gz JSMBLKDBBALJAC-GFLQDLJJSA-N 2 0 338.536 3.296 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCc4cccnc43)cc2)CC1 ZINC000886607190 1303521249 /nfs/dbraw/zinc/52/12/49/1303521249.db2.gz MHPBFNCUCRXRHO-FQEVSTJZSA-N 2 0 337.467 3.332 20 0 EGADRP Cn1ncc2ccc(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)cc21 ZINC000886612485 1303523484 /nfs/dbraw/zinc/52/34/84/1303523484.db2.gz MEUWHHIBIVUOAU-UHFFFAOYSA-N 2 0 326.488 3.460 20 0 EGADRP Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886621761 1303528800 /nfs/dbraw/zinc/52/88/00/1303528800.db2.gz AQZCKORLQHNFGK-NRGCRIOASA-N 2 0 346.519 3.027 20 0 EGADRP Cn1ccnc1[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886621759 1303529306 /nfs/dbraw/zinc/52/93/06/1303529306.db2.gz AQZCKORLQHNFGK-AGYKMIKPSA-N 2 0 346.519 3.027 20 0 EGADRP Cn1c2cc(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)ccc2oc1=O ZINC000886643378 1303536758 /nfs/dbraw/zinc/53/67/58/1303536758.db2.gz RYBLGZJUUNZMSK-UHFFFAOYSA-N 2 0 343.471 3.018 20 0 EGADRP Cc1ncc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000775522538 1303978477 /nfs/dbraw/zinc/97/84/77/1303978477.db2.gz STGBBZCDJWRBID-QAPCUYQASA-N 2 0 329.513 3.494 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2ccccc2[nH]1 ZINC000775627533 1303996614 /nfs/dbraw/zinc/99/66/14/1303996614.db2.gz NEYDNBLVFGABOC-MRXNPFEDSA-N 2 0 328.504 3.092 20 0 EGADRP C[C@H]1C[C@@H](Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC[N@@H+]1C ZINC000777649006 1304330119 /nfs/dbraw/zinc/33/01/19/1304330119.db2.gz BIQZDOFRSAWQFN-ZFWWWQNUSA-N 2 0 325.884 3.175 20 0 EGADRP CC[NH+](CC)CCOc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000777656801 1304330951 /nfs/dbraw/zinc/33/09/51/1304330951.db2.gz LHKKGAZLGDHFCO-FUHWJXTLSA-N 2 0 349.519 3.310 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(Cc3cnn(C)c3C3CC3)C2)CC1 ZINC000891823697 1305179177 /nfs/dbraw/zinc/17/91/77/1305179177.db2.gz ZJAVYUXOJNGIOX-KRWDZBQOSA-N 2 0 330.520 3.241 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CC1 ZINC000891940754 1305216002 /nfs/dbraw/zinc/21/60/02/1305216002.db2.gz RURKMCXFYRFRMZ-UHFFFAOYSA-N 2 0 340.471 3.258 20 0 EGADRP O=S1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000892750093 1305539082 /nfs/dbraw/zinc/53/90/82/1305539082.db2.gz TVJZZEXUWJCKNC-UHFFFAOYSA-N 2 0 334.529 3.063 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC1CCCC1 ZINC000892876230 1305589408 /nfs/dbraw/zinc/58/94/08/1305589408.db2.gz PIUNBYLGQVTELC-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000894160903 1306253413 /nfs/dbraw/zinc/25/34/13/1306253413.db2.gz DXLJIKWCWOGKBX-UHFFFAOYSA-N 2 0 326.488 3.323 20 0 EGADRP COC(=O)c1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000894230771 1306290822 /nfs/dbraw/zinc/29/08/22/1306290822.db2.gz IRALSFWHBSKIKC-UHFFFAOYSA-N 2 0 330.472 3.089 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000894414249 1308865465 /nfs/dbraw/zinc/86/54/65/1308865465.db2.gz RLMHFXYREGVKDH-MRXNPFEDSA-N 2 0 331.287 3.348 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000894763654 1309057486 /nfs/dbraw/zinc/05/74/86/1309057486.db2.gz PHSHWPGDPBPTHS-INIZCTEOSA-N 2 0 331.287 3.132 20 0 EGADRP Cc1ccc(C2=NO[C@@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1C ZINC000895501683 1309376231 /nfs/dbraw/zinc/37/62/31/1309376231.db2.gz JFQVCZFWHVYIHL-LJQANCHMSA-N 2 0 327.472 3.013 20 0 EGADRP c1cc(C[NH2+]CC2CCC3(CC2)OCCO3)cc(C[NH+]2CCCC2)c1 ZINC000795944886 1309867680 /nfs/dbraw/zinc/86/76/80/1309867680.db2.gz FXAVXQBIKPLPSZ-UHFFFAOYSA-N 2 0 344.499 3.305 20 0 EGADRP c1ccc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](c4ccccn4)C3)C2)nc1 ZINC000799189999 1310502474 /nfs/dbraw/zinc/50/24/74/1310502474.db2.gz IGTMSURAIPAPRV-RTBURBONSA-N 2 0 336.483 3.146 20 0 EGADRP CC[NH+](CC)CCCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000800166911 1310688978 /nfs/dbraw/zinc/68/89/78/1310688978.db2.gz YYAMOYLWQNQWNC-IBGZPJMESA-N 2 0 332.488 3.174 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000898611804 1310803684 /nfs/dbraw/zinc/80/36/84/1310803684.db2.gz SYVPASXSUYJLOP-LOTPSLMQSA-N 2 0 336.520 3.351 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000898704156 1310826343 /nfs/dbraw/zinc/82/63/43/1310826343.db2.gz QBTDGUZMKXCMTH-UHFFFAOYSA-N 2 0 331.504 3.446 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857281324 1328525962 /nfs/dbraw/zinc/52/59/62/1328525962.db2.gz XQTAHXDHYGWOEI-XLIONFOSSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001019149766 1317071695 /nfs/dbraw/zinc/07/16/95/1317071695.db2.gz DJALVYSABSWUHU-LPHOPBHVSA-N 2 0 348.450 3.208 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1C[NH+](CCC(C)(C)C)C1 ZINC000956960863 1317100253 /nfs/dbraw/zinc/10/02/53/1317100253.db2.gz QIEMYJJTXRGGNA-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC001019232123 1317114887 /nfs/dbraw/zinc/11/48/87/1317114887.db2.gz JZKHZLAOAQMUDC-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001019259365 1317132353 /nfs/dbraw/zinc/13/23/53/1317132353.db2.gz DTCSMWHKDSWEPV-MPGHIAIKSA-N 2 0 349.906 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001019274800 1317141090 /nfs/dbraw/zinc/14/10/90/1317141090.db2.gz POZYKSXBHFMEKN-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC000957278264 1317256267 /nfs/dbraw/zinc/25/62/67/1317256267.db2.gz HPFBXWWSIXTLQZ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC000957284540 1317260078 /nfs/dbraw/zinc/26/00/78/1317260078.db2.gz WEUGBXCLFQKYFG-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000957324629 1317285598 /nfs/dbraw/zinc/28/55/98/1317285598.db2.gz AYXVRTVQWYYNEI-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001019823802 1317439816 /nfs/dbraw/zinc/43/98/16/1317439816.db2.gz SWTSQPPGBCFUGR-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561589 1317458984 /nfs/dbraw/zinc/45/89/84/1317458984.db2.gz VSUYOQXXLUXKIT-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957563577 1317460678 /nfs/dbraw/zinc/46/06/78/1317460678.db2.gz KSTWWACNZCWFKL-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)c3occc3C[NH+](C)C)CC2)CC1 ZINC000957592203 1317482573 /nfs/dbraw/zinc/48/25/73/1317482573.db2.gz PVEXVMNLEMDDPL-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000858167571 1328702031 /nfs/dbraw/zinc/70/20/31/1328702031.db2.gz VALGMKRWEKNFOL-RDJZCZTQSA-N 2 0 344.503 3.130 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000902320708 1317563142 /nfs/dbraw/zinc/56/31/42/1317563142.db2.gz RPSSGKRCHVYDDD-IBGZPJMESA-N 2 0 346.515 3.250 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC000902329950 1317563966 /nfs/dbraw/zinc/56/39/66/1317563966.db2.gz MZMOARLWZGMHLA-KRWDZBQOSA-N 2 0 329.488 3.071 20 0 EGADRP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902373251 1317569440 /nfs/dbraw/zinc/56/94/40/1317569440.db2.gz BOTPWNPLCMEOGD-QGZVFWFLSA-N 2 0 345.531 3.006 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020237869 1317604108 /nfs/dbraw/zinc/60/41/08/1317604108.db2.gz GQDPLBFZWILYND-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000902792497 1317616336 /nfs/dbraw/zinc/61/63/36/1317616336.db2.gz AOERVWROYOCNJT-CTNGQTDRSA-N 2 0 346.515 3.081 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001020302735 1317635945 /nfs/dbraw/zinc/63/59/45/1317635945.db2.gz QSPYOKIMTBKVPB-SOAMZJECSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000957774596 1317639175 /nfs/dbraw/zinc/63/91/75/1317639175.db2.gz VDVMXGZZYMTYHF-PMACEKPBSA-N 2 0 349.563 3.223 20 0 EGADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccco1 ZINC000903083394 1317649502 /nfs/dbraw/zinc/64/95/02/1317649502.db2.gz GJSBWMZRRDGRSE-ZCTYVAAUSA-N 2 0 331.504 3.410 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)c1 ZINC000903116008 1317656225 /nfs/dbraw/zinc/65/62/25/1317656225.db2.gz PVULJSQJRLDHIW-IWUPYOBGSA-N 2 0 346.515 3.134 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCC(C3CCC3)CC1)C2 ZINC000903112442 1317656311 /nfs/dbraw/zinc/65/63/11/1317656311.db2.gz NDVTXJDSGHWBHZ-LOESLIKQSA-N 2 0 334.548 3.415 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3cc(N(C)C)cc[nH+]3)CC2)C1 ZINC000903201924 1317674049 /nfs/dbraw/zinc/67/40/49/1317674049.db2.gz RHXDFPLQUNFRTI-UZLBHIALSA-N 2 0 330.520 3.280 20 0 EGADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735423 1317728206 /nfs/dbraw/zinc/72/82/06/1317728206.db2.gz ZUIKXTLTQZBGEH-RLLQIKCJSA-N 2 0 328.500 3.098 20 0 EGADRP Fc1ccccc1C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903735199 1317728229 /nfs/dbraw/zinc/72/82/29/1317728229.db2.gz YJSXZYCNJCDDNM-QGZVFWFLSA-N 2 0 332.463 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020500163 1317730914 /nfs/dbraw/zinc/73/09/14/1317730914.db2.gz PGRNNJFGXRZFMV-UFYCRDLUSA-N 2 0 347.547 3.236 20 0 EGADRP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756815 1317731310 /nfs/dbraw/zinc/73/13/10/1317731310.db2.gz WEUIJQZJEZQRAJ-MEZWHVQBSA-N 2 0 344.499 3.237 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000903792451 1317735468 /nfs/dbraw/zinc/73/54/68/1317735468.db2.gz AXWZXBHVEJWSAP-UHFFFAOYSA-N 2 0 336.479 3.252 20 0 EGADRP OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000903906183 1317746500 /nfs/dbraw/zinc/74/65/00/1317746500.db2.gz UBKIHNOCUYYXFU-QFIPXVFZSA-N 2 0 336.479 3.105 20 0 EGADRP [NH3+][C@@H](CNCc1ccccc1C[NH+]1CCCCCC1)CC(F)F ZINC000903920746 1317748811 /nfs/dbraw/zinc/74/88/11/1317748811.db2.gz LJAJWROJEOHUPF-QGZVFWFLSA-N 2 0 325.447 3.135 20 0 EGADRP CC1CC[NH+]([C@H](CNC[C@@H]([NH3+])CC(F)F)c2cccs2)CC1 ZINC000903923187 1317750345 /nfs/dbraw/zinc/75/03/45/1317750345.db2.gz NLYIXATZUJXBMZ-UONOGXRCSA-N 2 0 331.476 3.093 20 0 EGADRP C[C@]1(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CCC[NH2+]C1 ZINC000904338216 1317833049 /nfs/dbraw/zinc/83/30/49/1317833049.db2.gz ONMXILGGPFWOKL-FQEVSTJZSA-N 2 0 339.487 3.041 20 0 EGADRP [NH3+]CC1CC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000904360155 1317836362 /nfs/dbraw/zinc/83/63/62/1317836362.db2.gz IJEHXLNDIHDZMM-UHFFFAOYSA-N 2 0 342.405 3.081 20 0 EGADRP C[C@@]1(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CCC[NH2+]C1 ZINC000904366634 1317837654 /nfs/dbraw/zinc/83/76/54/1317837654.db2.gz NLXQGUIHQFIDQQ-LJQANCHMSA-N 2 0 329.419 3.492 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)CC[NH2+]1 ZINC000904388980 1317841245 /nfs/dbraw/zinc/84/12/45/1317841245.db2.gz FXJGYCBUUPMEHF-GDBMZVCRSA-N 2 0 333.545 3.274 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000809605699 1317841898 /nfs/dbraw/zinc/84/18/98/1317841898.db2.gz GJEWDFPOQUWYEL-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416270 1317844948 /nfs/dbraw/zinc/84/49/48/1317844948.db2.gz KCSMDSIMAVQAHG-INIZCTEOSA-N 2 0 332.536 3.147 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(C(C)(C)C[NH3+])CC2)o1 ZINC000904444726 1317847803 /nfs/dbraw/zinc/84/78/03/1317847803.db2.gz PDVUOAZWNAENSR-UHFFFAOYSA-N 2 0 330.476 3.185 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001020676022 1317852012 /nfs/dbraw/zinc/85/20/12/1317852012.db2.gz OHYKWTPSZHDLDF-WDSOQIARSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)([NH3+])c1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000904602099 1317867419 /nfs/dbraw/zinc/86/74/19/1317867419.db2.gz KXECDQYTNPTMQB-IAGOWNOFSA-N 2 0 330.476 3.019 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904625741 1317872415 /nfs/dbraw/zinc/87/24/15/1317872415.db2.gz MRPRFMQXVBSMOS-UHFFFAOYSA-N 2 0 330.476 3.018 20 0 EGADRP C[C@@H](CCNC(=O)Nc1ccccc1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000904653423 1317876674 /nfs/dbraw/zinc/87/66/74/1317876674.db2.gz ZJKMFPYZWLYPNE-INIZCTEOSA-N 2 0 340.471 3.177 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)nc2)cc1 ZINC000809738724 1317884459 /nfs/dbraw/zinc/88/44/59/1317884459.db2.gz GTISPRISPPHNIN-UHFFFAOYSA-N 2 0 338.499 3.375 20 0 EGADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000810251889 1317986458 /nfs/dbraw/zinc/98/64/58/1317986458.db2.gz BCKFEKSYMZDOTG-QGZVFWFLSA-N 2 0 334.529 3.490 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)C1 ZINC000905905920 1318016462 /nfs/dbraw/zinc/01/64/62/1318016462.db2.gz HTWRNIDSJNZRIQ-RDTXWAMCSA-N 2 0 326.431 3.024 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001021051973 1318059855 /nfs/dbraw/zinc/05/98/55/1318059855.db2.gz UCWGJKISUPOBGQ-NSISKUIASA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)CC1 ZINC001021426294 1318243683 /nfs/dbraw/zinc/24/36/83/1318243683.db2.gz JVZVYMZIWGWSDK-IHWFROFDSA-N 2 0 347.547 3.019 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960130225 1318371515 /nfs/dbraw/zinc/37/15/15/1318371515.db2.gz IUNHJPOUAAZXBR-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC000960130218 1318372366 /nfs/dbraw/zinc/37/23/66/1318372366.db2.gz ILETZZDKCIZZHL-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP COC(=O)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)CC(C)C ZINC000813332595 1318536070 /nfs/dbraw/zinc/53/60/70/1318536070.db2.gz CTGAHMJLKDDCAQ-AOIWGVFYSA-N 2 0 338.536 3.454 20 0 EGADRP CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000910279322 1318593919 /nfs/dbraw/zinc/59/39/19/1318593919.db2.gz JWMNZXLOBJINBM-GOSISDBHSA-N 2 0 343.515 3.229 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C)CC1CCCCC1 ZINC000960686934 1318792766 /nfs/dbraw/zinc/79/27/66/1318792766.db2.gz ZEGAHXSODIGIEF-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022156920 1318823145 /nfs/dbraw/zinc/82/31/45/1318823145.db2.gz UQOJAJZDGJKYLI-CALCHBBNSA-N 2 0 349.544 3.240 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022165244 1318826016 /nfs/dbraw/zinc/82/60/16/1318826016.db2.gz XBTHJRUZOUJWEE-CEXWTWQISA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001022290153 1318880903 /nfs/dbraw/zinc/88/09/03/1318880903.db2.gz HBWJHZAXIJCZJQ-VIBAHUMZSA-N 2 0 349.906 3.122 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)ccc2c[nH+]cn21 ZINC001022341562 1318901190 /nfs/dbraw/zinc/90/11/90/1318901190.db2.gz FRZKLWBEXCZARL-CALCHBBNSA-N 2 0 340.471 3.073 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370680 1318908699 /nfs/dbraw/zinc/90/86/99/1318908699.db2.gz SALVQJVOCNLALK-NXHRZFHOSA-N 2 0 348.450 3.254 20 0 EGADRP CCOCCOCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000930137663 1328795455 /nfs/dbraw/zinc/79/54/55/1328795455.db2.gz JGQFHFORAKBSJG-UHFFFAOYSA-N 2 0 346.515 3.028 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001022435299 1318941311 /nfs/dbraw/zinc/94/13/11/1318941311.db2.gz VXUQJSSZGBLSTR-HDICACEKSA-N 2 0 340.471 3.155 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000960835654 1318965169 /nfs/dbraw/zinc/96/51/69/1318965169.db2.gz RHCAQXNTEPEIHN-OALUTQOASA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001022712172 1319078951 /nfs/dbraw/zinc/07/89/51/1319078951.db2.gz LAADSQJATRMREJ-QRQLOZEOSA-N 2 0 343.515 3.031 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001022807457 1319118606 /nfs/dbraw/zinc/11/86/06/1319118606.db2.gz HFTSQABLFVDIRG-RLLQIKCJSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022806927 1319118714 /nfs/dbraw/zinc/11/87/14/1319118714.db2.gz DFIQHRUXKKPUPR-ZCFHBRKKSA-N 2 0 349.563 3.312 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001022838530 1319134128 /nfs/dbraw/zinc/13/41/28/1319134128.db2.gz QLXDISYNNBNROU-YRPNKDGESA-N 2 0 347.547 3.211 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961030322 1319154596 /nfs/dbraw/zinc/15/45/96/1319154596.db2.gz UPGHDDMUCXPVMZ-MOPGFXCFSA-N 2 0 343.515 3.075 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCC2)c1 ZINC000961029781 1319154705 /nfs/dbraw/zinc/15/47/05/1319154705.db2.gz YPVARBJLEMCPSH-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000961192518 1319307125 /nfs/dbraw/zinc/30/71/25/1319307125.db2.gz ZOHLDKGRUVUHDB-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000817891480 1319453254 /nfs/dbraw/zinc/45/32/54/1319453254.db2.gz LFRLMYBIFDQJKM-VKJFTORMSA-N 2 0 329.488 3.167 20 0 EGADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817894709 1319453727 /nfs/dbraw/zinc/45/37/27/1319453727.db2.gz NCVPKLFRVPBHJQ-UAFMIMERSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817896223 1319453736 /nfs/dbraw/zinc/45/37/36/1319453736.db2.gz ZPJQLTTYIRCBPR-NYSBEXSLSA-N 2 0 338.451 3.085 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1c(F)cccc1Cl ZINC000817905848 1319456570 /nfs/dbraw/zinc/45/65/70/1319456570.db2.gz OMKIGIBEIKESGB-VJUNAUMWSA-N 2 0 340.870 3.413 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000817923281 1319461496 /nfs/dbraw/zinc/46/14/96/1319461496.db2.gz VQHNXPMMMPFUKM-SGTLLEGYSA-N 2 0 333.863 3.060 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000817922476 1319461710 /nfs/dbraw/zinc/46/17/10/1319461710.db2.gz HEBVYMWFQIATMJ-GDIGMMSISA-N 2 0 332.875 3.096 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000817948888 1319473952 /nfs/dbraw/zinc/47/39/52/1319473952.db2.gz LZYRPGWZTHCLGW-GCJKJVERSA-N 3 0 337.511 3.188 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC ZINC000817954761 1319475423 /nfs/dbraw/zinc/47/54/23/1319475423.db2.gz IWASKWFBILIPDR-IRXDYDNUSA-N 3 0 333.520 3.187 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023365281 1319475988 /nfs/dbraw/zinc/47/59/88/1319475988.db2.gz BHNKVFGLZGMWJU-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023367231 1319477699 /nfs/dbraw/zinc/47/76/99/1319477699.db2.gz XOVCYKUHSOVMOJ-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817985586 1319486762 /nfs/dbraw/zinc/48/67/62/1319486762.db2.gz FQPFNAGKNZHHCY-DZOHQFGASA-N 2 0 343.471 3.072 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1F ZINC000819015561 1319615157 /nfs/dbraw/zinc/61/51/57/1319615157.db2.gz KBZPLMFFLYYVOJ-GHTZIAJQSA-N 2 0 342.458 3.013 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C(C)(C)C ZINC000819080827 1319630185 /nfs/dbraw/zinc/63/01/85/1319630185.db2.gz IYRUTNQRSBQJMR-CVEARBPZSA-N 2 0 330.875 3.469 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000819102663 1319636506 /nfs/dbraw/zinc/63/65/06/1319636506.db2.gz NRSHBGPADYXMLS-WFASDCNBSA-N 2 0 348.409 3.185 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819132952 1319643692 /nfs/dbraw/zinc/64/36/92/1319643692.db2.gz JJUIAQMROHVDSU-XJKCOSOUSA-N 2 0 330.394 3.201 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819151672 1319650214 /nfs/dbraw/zinc/65/02/14/1319650214.db2.gz DKHOMGKRCVUVOD-SUMWQHHRSA-N 2 0 328.859 3.080 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001023573191 1319690469 /nfs/dbraw/zinc/69/04/69/1319690469.db2.gz UTFSFEUPCQPTEU-LJQANCHMSA-N 2 0 347.547 3.047 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023762553 1319908574 /nfs/dbraw/zinc/90/85/74/1319908574.db2.gz ZSHYNJRQSBTEDM-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809008 1319957182 /nfs/dbraw/zinc/95/71/82/1319957182.db2.gz RNLLUQGHPJXTKU-CZUORRHYSA-N 2 0 329.410 3.035 20 0 EGADRP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820814116 1319959024 /nfs/dbraw/zinc/95/90/24/1319959024.db2.gz FSYBMTOXGWQVLT-UAZXPBDKSA-N 2 0 332.463 3.385 20 0 EGADRP COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000820810171 1319959726 /nfs/dbraw/zinc/95/97/26/1319959726.db2.gz QQZNRKFHYJWALF-MGPUTAFESA-N 2 0 328.456 3.141 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000822490551 1320088123 /nfs/dbraw/zinc/08/81/23/1320088123.db2.gz WRWOVSKAYAWHRD-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000822766584 1320121729 /nfs/dbraw/zinc/12/17/29/1320121729.db2.gz VAMIJQABDYSBEG-DLBZAZTESA-N 2 0 326.444 3.188 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822870659 1320131388 /nfs/dbraw/zinc/13/13/88/1320131388.db2.gz VJPQBTIROUDARS-KFWWJZLASA-N 2 0 337.335 3.297 20 0 EGADRP C[C@H](NCc1cc(C2CC2)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824119354 1320230224 /nfs/dbraw/zinc/23/02/24/1320230224.db2.gz HHDFPJQWRLEURK-QFBILLFUSA-N 2 0 338.499 3.298 20 0 EGADRP COCCc1ccc(OC[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000825126699 1320312581 /nfs/dbraw/zinc/31/25/81/1320312581.db2.gz SCSIKBYSPMNYND-QGZVFWFLSA-N 2 0 348.531 3.495 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C[NH3+])c1)c1ccsc1 ZINC000827023977 1320421322 /nfs/dbraw/zinc/42/13/22/1320421322.db2.gz OEFPBHNDJWLGKX-KRWDZBQOSA-N 2 0 331.485 3.020 20 0 EGADRP c1cn(-c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)cn1 ZINC000838921105 1320835715 /nfs/dbraw/zinc/83/57/15/1320835715.db2.gz IYQTUUDYOVKHSG-UHFFFAOYSA-N 2 0 333.439 3.026 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000839180458 1320886604 /nfs/dbraw/zinc/88/66/04/1320886604.db2.gz DEWUZVSQJUQNBI-SJORKVTESA-N 2 0 329.488 3.196 20 0 EGADRP CCCCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000839538780 1320934042 /nfs/dbraw/zinc/93/40/42/1320934042.db2.gz GHKLCUOVOVKHRX-FQEVSTJZSA-N 2 0 345.531 3.498 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032211 1321204134 /nfs/dbraw/zinc/20/41/34/1321204134.db2.gz PAVLPDSDLKHAJZ-UHFFFAOYSA-N 2 0 328.847 3.018 20 0 EGADRP COc1ccc(Br)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841032016 1321204180 /nfs/dbraw/zinc/20/41/80/1321204180.db2.gz GKHGEDFVOCVQGZ-UHFFFAOYSA-N 2 0 349.272 3.249 20 0 EGADRP CCOc1c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(C)nn1CC(C)C ZINC000841032150 1321204492 /nfs/dbraw/zinc/20/44/92/1321204492.db2.gz MYKGIWCLBPURHI-UHFFFAOYSA-N 2 0 344.503 3.037 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc(Cl)c1OC ZINC000841036010 1321206155 /nfs/dbraw/zinc/20/61/55/1321206155.db2.gz MSTOOJAQVKTDQC-UHFFFAOYSA-N 2 0 334.847 3.148 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@@H](C)CC[NH3+] ZINC000841050825 1321209668 /nfs/dbraw/zinc/20/96/68/1321209668.db2.gz LFJVSTAYMFSQPD-NSHDSACASA-N 2 0 341.286 3.374 20 0 EGADRP CC(C)n1ncc2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)c(Cl)nc21 ZINC000841071822 1321212956 /nfs/dbraw/zinc/21/29/56/1321212956.db2.gz CPCGCKBDNUWUOJ-HNNXBMFYSA-N 2 0 335.883 3.287 20 0 EGADRP COc1ccc(COCC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859213924 1328947780 /nfs/dbraw/zinc/94/77/80/1328947780.db2.gz BVYHSXBYZYGKOR-UHFFFAOYSA-N 2 0 342.483 3.405 20 0 EGADRP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841690461 1321298207 /nfs/dbraw/zinc/29/82/07/1321298207.db2.gz VUXFRRBUJUCUAJ-ZWOKBUDYSA-N 2 0 349.519 3.007 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000859214582 1328948337 /nfs/dbraw/zinc/94/83/37/1328948337.db2.gz PLKDFAMLOIOBOA-LJQANCHMSA-N 2 0 334.410 3.192 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000842694834 1321420486 /nfs/dbraw/zinc/42/04/86/1321420486.db2.gz RVPHUOWWGROKJL-QGZVFWFLSA-N 2 0 344.503 3.446 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c(Cl)nc21 ZINC000843120194 1321473573 /nfs/dbraw/zinc/47/35/73/1321473573.db2.gz QVOZBDRVQRGURU-UHFFFAOYSA-N 2 0 347.894 3.241 20 0 EGADRP C[C@@H]1OCC[C@]1(C)[NH2+]CC[Si](C)(C)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000859278951 1328960374 /nfs/dbraw/zinc/96/03/74/1328960374.db2.gz IAWWFWGWPJGFKP-XSLAGTTESA-N 2 0 342.600 3.009 20 0 EGADRP Fc1cc(Br)ccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843340486 1321502197 /nfs/dbraw/zinc/50/21/97/1321502197.db2.gz MZOUYEVYAYLYJL-VNHYZAJKSA-N 2 0 341.268 3.108 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000843348266 1321503485 /nfs/dbraw/zinc/50/34/85/1321503485.db2.gz AEWTWBCFTFUUTD-HUUCEWRRSA-N 2 0 331.504 3.370 20 0 EGADRP C[N@H+](Cc1cncc(OCc2ccccc2)c1)C1CCC([NH3+])CC1 ZINC000843355235 1321504852 /nfs/dbraw/zinc/50/48/52/1321504852.db2.gz NQJYDHGBFRMVLW-UHFFFAOYSA-N 2 0 325.456 3.362 20 0 EGADRP CN(Cc1ccc2nonc2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846807846 1321810160 /nfs/dbraw/zinc/81/01/60/1321810160.db2.gz DUYJBAUXBFDDGT-SFHVURJKSA-N 2 0 336.439 3.177 20 0 EGADRP C([C@H]1CCCO1)N1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000848531282 1321970757 /nfs/dbraw/zinc/97/07/57/1321970757.db2.gz NKVUCOIPWBQPRX-DQVLVPHSSA-N 2 0 349.563 3.017 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(Cl)cccc1Cl ZINC000849062929 1322063107 /nfs/dbraw/zinc/06/31/07/1322063107.db2.gz FRGDSXKJMLLDRR-LLVKDONJSA-N 2 0 329.275 3.092 20 0 EGADRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000849063918 1322064316 /nfs/dbraw/zinc/06/43/16/1322064316.db2.gz UWPPKJYVPIGURY-MJGOQNOKSA-N 2 0 328.504 3.155 20 0 EGADRP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849105853 1322080123 /nfs/dbraw/zinc/08/01/23/1322080123.db2.gz FXQRMLWPPVWSOA-IBGZPJMESA-N 2 0 328.504 3.140 20 0 EGADRP [NH2+]=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NC1CCC1 ZINC000849112022 1322082272 /nfs/dbraw/zinc/08/22/72/1322082272.db2.gz QPSGYYUQCGEONU-UHFFFAOYSA-N 2 0 342.531 3.388 20 0 EGADRP COc1cncc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000850227094 1322210106 /nfs/dbraw/zinc/21/01/06/1322210106.db2.gz WRZJBMXKPZKWFU-PKOBYXMFSA-N 2 0 339.483 3.481 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000850424379 1322245043 /nfs/dbraw/zinc/24/50/43/1322245043.db2.gz JKHOMJHSOLAOAF-MRLCAUJQSA-N 2 0 339.524 3.001 20 0 EGADRP COC(=O)[C@H](C)Oc1ccccc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000921493728 1322329034 /nfs/dbraw/zinc/32/90/34/1322329034.db2.gz VFQDISDLGHPSGT-AWEZNQCLSA-N 2 0 348.487 3.026 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000922180666 1322473520 /nfs/dbraw/zinc/47/35/20/1322473520.db2.gz FDXJXHPWQYPIJR-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)cc1 ZINC000923293987 1322727107 /nfs/dbraw/zinc/72/71/07/1322727107.db2.gz BQULBCSTUDADQF-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)c1nc([C@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)no1 ZINC000923369792 1322741879 /nfs/dbraw/zinc/74/18/79/1322741879.db2.gz OQLHPLNUZKZYOI-YNBOMUFVSA-N 2 0 332.492 3.293 20 0 EGADRP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000923483141 1322759788 /nfs/dbraw/zinc/75/97/88/1322759788.db2.gz LZESVORLUAUWSV-AWEZNQCLSA-N 2 0 331.485 3.380 20 0 EGADRP O[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)c1ccc(F)cc1F ZINC000923505756 1322764453 /nfs/dbraw/zinc/76/44/53/1322764453.db2.gz FRGZCRJAPCCXFW-AUUYWEPGSA-N 2 0 338.442 3.100 20 0 EGADRP C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923524951 1322769404 /nfs/dbraw/zinc/76/94/04/1322769404.db2.gz BANZDYWERLLRBJ-CZUORRHYSA-N 2 0 340.920 3.177 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023892189 1323008418 /nfs/dbraw/zinc/00/84/18/1323008418.db2.gz XXKXUCLMSGAZQC-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000924527568 1323042450 /nfs/dbraw/zinc/04/24/50/1323042450.db2.gz KDYUOCSDOFQUPI-IAGOWNOFSA-N 2 0 329.492 3.428 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(-n2cnnc2)c1 ZINC000924577587 1323060890 /nfs/dbraw/zinc/06/08/90/1323060890.db2.gz JYEUULUGUHIBML-QGZVFWFLSA-N 2 0 327.476 3.040 20 0 EGADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000851632357 1323065316 /nfs/dbraw/zinc/06/53/16/1323065316.db2.gz OSHWFVXBZONXCO-IBGZPJMESA-N 2 0 349.478 3.117 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc(C[NH+](C)C)c1 ZINC000924610842 1323074420 /nfs/dbraw/zinc/07/44/20/1323074420.db2.gz VCDSMRLXCJKMRX-INIZCTEOSA-N 2 0 339.483 3.301 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024040385 1323090845 /nfs/dbraw/zinc/09/08/45/1323090845.db2.gz HEVQWFMOUPNNGT-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024045544 1323096057 /nfs/dbraw/zinc/09/60/57/1323096057.db2.gz KLXMAVZOJBCIET-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(-c2ccccc2)no1 ZINC000924658757 1323099027 /nfs/dbraw/zinc/09/90/27/1323099027.db2.gz MOTNRNCCTGYGIC-KRWDZBQOSA-N 2 0 342.487 3.020 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000924684314 1323112872 /nfs/dbraw/zinc/11/28/72/1323112872.db2.gz DQUWGPUVHDKSRE-RLLQIKCJSA-N 2 0 332.536 3.376 20 0 EGADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000924862393 1323191094 /nfs/dbraw/zinc/19/10/94/1323191094.db2.gz UTBQEEUIJJYNGC-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP CON1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000924871425 1323194136 /nfs/dbraw/zinc/19/41/36/1323194136.db2.gz WZSPYEYXHPOCAL-UHFFFAOYSA-N 2 0 331.504 3.178 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024186242 1323197673 /nfs/dbraw/zinc/19/76/73/1323197673.db2.gz NTPALXLTPWHDDY-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1noc(C)c1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000924969951 1323231728 /nfs/dbraw/zinc/23/17/28/1323231728.db2.gz NZRKWCFFJYBWDR-CQSZACIVSA-N 2 0 331.460 3.125 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925071541 1323266444 /nfs/dbraw/zinc/26/64/44/1323266444.db2.gz PXFYRLZSAHJCAN-SNRMKQJTSA-N 2 0 331.504 3.046 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc3c2OCO3)[C@@H](C)C1 ZINC000925077388 1323267495 /nfs/dbraw/zinc/26/74/95/1323267495.db2.gz GZBDCHFXBVRKRI-JZXOWHBKSA-N 2 0 348.487 3.203 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccccn2)CC1 ZINC000853097666 1323280421 /nfs/dbraw/zinc/28/04/21/1323280421.db2.gz CUBNTKOCASXWSF-NRFANRHFSA-N 2 0 339.483 3.137 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCCC2)CC[N@@H+]1C ZINC001024448812 1323407150 /nfs/dbraw/zinc/40/71/50/1323407150.db2.gz ZDEYUXBETOVKEZ-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024469575 1323424244 /nfs/dbraw/zinc/42/42/44/1323424244.db2.gz TUPZPCLUVPDSEO-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024469574 1323425174 /nfs/dbraw/zinc/42/51/74/1323425174.db2.gz TUPZPCLUVPDSEO-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479277 1323432370 /nfs/dbraw/zinc/43/23/70/1323432370.db2.gz DJNGZOUOFUZXIC-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024513046 1323463776 /nfs/dbraw/zinc/46/37/76/1323463776.db2.gz MJVYCKJMJSHZSD-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)cs1 ZINC001024513489 1323464280 /nfs/dbraw/zinc/46/42/80/1323464280.db2.gz QAWYCISGWHNLKC-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712487 1323620287 /nfs/dbraw/zinc/62/02/87/1323620287.db2.gz ZSSVWDWKXFFIRJ-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749764 1323652760 /nfs/dbraw/zinc/65/27/60/1323652760.db2.gz FNVXTMDKCGBZSD-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024979210 1323810882 /nfs/dbraw/zinc/81/08/82/1323810882.db2.gz OHTFGSLUSMFLDC-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024979155 1323811428 /nfs/dbraw/zinc/81/14/28/1323811428.db2.gz MOXWZCLMCKXQEH-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025002330 1323820010 /nfs/dbraw/zinc/82/00/10/1323820010.db2.gz BQJINEJFRCJSHA-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001025002331 1323820900 /nfs/dbraw/zinc/82/09/00/1323820900.db2.gz BQJINEJFRCJSHA-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001025056153 1323859808 /nfs/dbraw/zinc/85/98/08/1323859808.db2.gz BDODJNMEUSHOHK-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025056427 1323860587 /nfs/dbraw/zinc/86/05/87/1323860587.db2.gz OFMJXPRLNSEHOG-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]2C1 ZINC000931440039 1329118200 /nfs/dbraw/zinc/11/82/00/1329118200.db2.gz SNXPSVJXXCUFDR-KGLIPLIRSA-N 2 0 333.382 3.003 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001025085833 1323885492 /nfs/dbraw/zinc/88/54/92/1323885492.db2.gz VVXPPAMCKDAFAG-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025105503 1323897916 /nfs/dbraw/zinc/89/79/16/1323897916.db2.gz WHPAGSOWVNSMTA-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000931466662 1329124918 /nfs/dbraw/zinc/12/49/18/1329124918.db2.gz FMZBMRIZUNXSRG-HUUCEWRRSA-N 2 0 334.426 3.294 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025232888 1324020209 /nfs/dbraw/zinc/02/02/09/1324020209.db2.gz RAPPECMVEVRPAP-ZWKOTPCHSA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025250728 1324052855 /nfs/dbraw/zinc/05/28/55/1324052855.db2.gz DOCKTEXFQHQMIE-RBUKOAKNSA-N 2 0 340.471 3.203 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265009 1324076636 /nfs/dbraw/zinc/07/66/36/1324076636.db2.gz CUBYWVNLVMXXQE-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266436 1324077657 /nfs/dbraw/zinc/07/76/57/1324077657.db2.gz JREHCXOLBZEGPA-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001025301695 1324135249 /nfs/dbraw/zinc/13/52/49/1324135249.db2.gz OKPRKJXYQDHUJX-WOJBJXKFSA-N 2 0 343.515 3.227 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CC1 ZINC001025301719 1324135361 /nfs/dbraw/zinc/13/53/61/1324135361.db2.gz OOCRCHVHGNQCCZ-WOJBJXKFSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431604 1324268645 /nfs/dbraw/zinc/26/86/45/1324268645.db2.gz BKXUOMHSVUWKOZ-HUUCEWRRSA-N 2 0 337.533 3.048 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484651 1324333396 /nfs/dbraw/zinc/33/33/96/1324333396.db2.gz HEPUJFNDIIDTIA-SJORKVTESA-N 2 0 342.487 3.211 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527033 1324371071 /nfs/dbraw/zinc/37/10/71/1324371071.db2.gz DEJZFMBCXMPWME-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026464819 1324824848 /nfs/dbraw/zinc/82/48/48/1324824848.db2.gz XDKLPDJONSMQTD-CTWPCTMYSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026503680 1324853613 /nfs/dbraw/zinc/85/36/13/1324853613.db2.gz GUEDSUYTJUUQPT-MHJFOBGBSA-N 2 0 349.563 3.458 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001026514268 1324860927 /nfs/dbraw/zinc/86/09/27/1324860927.db2.gz XSMRHTMITGDPLS-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cs1 ZINC001026515822 1324862872 /nfs/dbraw/zinc/86/28/72/1324862872.db2.gz KWEMPZHIHCTIOH-ABHNRTSZSA-N 2 0 349.544 3.058 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CCC([NH2+]C(C)C)CC2)o1 ZINC001026611733 1324932932 /nfs/dbraw/zinc/93/29/32/1324932932.db2.gz JOJVRYKHTIKHKW-UHFFFAOYSA-N 2 0 335.492 3.160 20 0 EGADRP CC(C)(C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001026845743 1325043765 /nfs/dbraw/zinc/04/37/65/1325043765.db2.gz GRWNGYCYWUMZGE-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(-n2cnnc2)c1 ZINC000925218432 1325084849 /nfs/dbraw/zinc/08/48/49/1325084849.db2.gz XNCAUCDWCBYAIX-INIZCTEOSA-N 2 0 339.487 3.325 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001026932199 1325089839 /nfs/dbraw/zinc/08/98/39/1325089839.db2.gz TUBWGMAUMGTMIZ-ADKAHSJRSA-N 2 0 349.563 3.124 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925239071 1325091230 /nfs/dbraw/zinc/09/12/30/1325091230.db2.gz CKACVGIXBYBAHR-FPOVZHCZSA-N 2 0 341.499 3.426 20 0 EGADRP OCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000925458940 1325160861 /nfs/dbraw/zinc/16/08/61/1325160861.db2.gz CUJRNQONBGTHMC-VTHDOGFWSA-N 2 0 328.500 3.323 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925471248 1325165300 /nfs/dbraw/zinc/16/53/00/1325165300.db2.gz BBNXPQFUOCCDID-WOJBJXKFSA-N 2 0 349.563 3.172 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)c2)c1 ZINC000925494227 1325176662 /nfs/dbraw/zinc/17/66/62/1325176662.db2.gz JGJSAVRMMQZPKA-RTWAWAEBSA-N 2 0 338.499 3.189 20 0 EGADRP c1ccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925504181 1325181202 /nfs/dbraw/zinc/18/12/02/1325181202.db2.gz KWBJATKMAJNTDY-HBMCJLEFSA-N 2 0 327.516 3.019 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000925502678 1325181374 /nfs/dbraw/zinc/18/13/74/1325181374.db2.gz HSUJNCKGEOIYLI-PTVUGVHYSA-N 2 0 329.271 3.132 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001027065891 1325200768 /nfs/dbraw/zinc/20/07/68/1325200768.db2.gz GMBATZDKGKRCPE-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000925577454 1325218180 /nfs/dbraw/zinc/21/81/80/1325218180.db2.gz OVLHXGQKBVCNTH-MSOLQXFVSA-N 2 0 326.550 3.141 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000925588182 1325221644 /nfs/dbraw/zinc/22/16/44/1325221644.db2.gz OOYLNGOKRUWHKI-YZGWKJHDSA-N 2 0 332.536 3.089 20 0 EGADRP CC(=O)Nc1cccc(OCC[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925591095 1325223702 /nfs/dbraw/zinc/22/37/02/1325223702.db2.gz OGSXUZHTBHHLMX-HXUWFJFHSA-N 2 0 341.455 3.094 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925628710 1325238641 /nfs/dbraw/zinc/23/86/41/1325238641.db2.gz HPJNYVPJYJHUMT-LEWJYISDSA-N 2 0 338.499 3.345 20 0 EGADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1 ZINC000925685031 1325261744 /nfs/dbraw/zinc/26/17/44/1325261744.db2.gz CUAWAAFJNNHVME-WSTZPKSXSA-N 2 0 325.456 3.372 20 0 EGADRP c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806876 1325308479 /nfs/dbraw/zinc/30/84/79/1325308479.db2.gz CBCZXIQLWFAAIB-QFIPXVFZSA-N 2 0 335.495 3.259 20 0 EGADRP COc1ccnc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000926325385 1325517391 /nfs/dbraw/zinc/51/73/91/1325517391.db2.gz LRQOYLRYKCIESO-SJLPKXTDSA-N 2 0 325.456 3.263 20 0 EGADRP C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926359866 1325526835 /nfs/dbraw/zinc/52/68/35/1325526835.db2.gz YLBHUDQYJUQFRR-UWJYYQICSA-N 2 0 326.484 3.393 20 0 EGADRP O[C@H](C[NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424163 1325548645 /nfs/dbraw/zinc/54/86/45/1325548645.db2.gz MNLZDOXQOZYLEV-GVDBMIGSSA-N 2 0 342.405 3.345 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857140679 1325578998 /nfs/dbraw/zinc/57/89/98/1325578998.db2.gz BGYRMROJVQGXSR-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926718843 1327682742 /nfs/dbraw/zinc/68/27/42/1327682742.db2.gz NOKNZRQWGNFMSF-RDJZCZTQSA-N 2 0 331.504 3.046 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027473642 1327730258 /nfs/dbraw/zinc/73/02/58/1327730258.db2.gz PQRLEJLGBIADPK-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000927065676 1327838095 /nfs/dbraw/zinc/83/80/95/1327838095.db2.gz IYKPSALGPSNIIQ-UZLBHIALSA-N 2 0 344.503 3.408 20 0 EGADRP C[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)[NH+]1CCCCCC1 ZINC000965347907 1327983759 /nfs/dbraw/zinc/98/37/59/1327983759.db2.gz RXOSEHOISOAQMX-GICSWVMSSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680693 1328079231 /nfs/dbraw/zinc/07/92/31/1328079231.db2.gz JCKCVQBLAALVOS-MOPGFXCFSA-N 2 0 343.515 3.075 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([N@H+](C)CC3CCC3)C2)c1 ZINC001027692137 1328096420 /nfs/dbraw/zinc/09/64/20/1328096420.db2.gz BWSDBGYNGFFUNJ-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693721 1328098723 /nfs/dbraw/zinc/09/87/23/1328098723.db2.gz HUMJRHFWRCMTDH-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([N@H+](C)CCC3CC3)C2)c1 ZINC001027692765 1328099269 /nfs/dbraw/zinc/09/92/69/1328099269.db2.gz OGQZTRAQWKSULG-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694645 1328100580 /nfs/dbraw/zinc/10/05/80/1328100580.db2.gz FETBCOXUYSWKRU-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027694504 1328100794 /nfs/dbraw/zinc/10/07/94/1328100794.db2.gz AQMTYJZBNKQQAR-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)C(C)C)C2)o1 ZINC001027699523 1328114301 /nfs/dbraw/zinc/11/43/01/1328114301.db2.gz GBGVBVNQBNCAHT-MRXNPFEDSA-N 2 0 335.492 3.066 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCC1CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885416 1328354325 /nfs/dbraw/zinc/35/43/25/1328354325.db2.gz DYANVOVDUKDYKI-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027919606 1328398293 /nfs/dbraw/zinc/39/82/93/1328398293.db2.gz YOLIMBFFBOWCTF-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027971572 1328443971 /nfs/dbraw/zinc/44/39/71/1328443971.db2.gz HPNWOBDHVDQQMT-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001028003029 1328464996 /nfs/dbraw/zinc/46/49/96/1328464996.db2.gz KGYAPGQYXPPWFJ-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029515 1328492796 /nfs/dbraw/zinc/49/27/96/1328492796.db2.gz GKDYZSVFSSDJIN-UZLBHIALSA-N 2 0 348.450 3.290 20 0 EGADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000865418417 1329694840 /nfs/dbraw/zinc/69/48/40/1329694840.db2.gz KHHJOTTZVLTFON-CQSZACIVSA-N 2 0 348.441 3.187 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865484579 1329703856 /nfs/dbraw/zinc/70/38/56/1329703856.db2.gz YYFGTDLJHPXNJU-HZPDHXFCSA-N 2 0 348.441 3.328 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000865484473 1329703913 /nfs/dbraw/zinc/70/39/13/1329703913.db2.gz XOXOZFWNISIYOK-MSOLQXFVSA-N 2 0 331.504 3.126 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865492457 1329705074 /nfs/dbraw/zinc/70/50/74/1329705074.db2.gz SIJQCPCXPGYFDF-UHFFFAOYSA-N 2 0 334.504 3.189 20 0 EGADRP FC(F)(F)c1c[nH+]ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000865574935 1329715409 /nfs/dbraw/zinc/71/54/09/1329715409.db2.gz GXFLHMOOLYGYBQ-UHFFFAOYSA-N 2 0 343.393 3.182 20 0 EGADRP Cc1cnn(C)c1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717906 1329732083 /nfs/dbraw/zinc/73/20/83/1329732083.db2.gz ONDFXZSLJKGTDF-UHFFFAOYSA-N 2 0 326.488 3.120 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000866467377 1330116112 /nfs/dbraw/zinc/11/61/12/1330116112.db2.gz GKHLNHASEFWXMH-NZSAHSFTSA-N 2 0 338.536 3.454 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000866470204 1330116521 /nfs/dbraw/zinc/11/65/21/1330116521.db2.gz PKRLXSRGHUTIIQ-INIZCTEOSA-N 2 0 340.471 3.135 20 0 EGADRP Cc1ccc(C(=O)NC2CC[NH+](CCCCCCC[NH3+])CC2)cc1 ZINC000866697468 1330142032 /nfs/dbraw/zinc/14/20/32/1330142032.db2.gz QJFLGKOOXHFSJR-UHFFFAOYSA-N 2 0 331.504 3.098 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941139149 1331351036 /nfs/dbraw/zinc/35/10/36/1331351036.db2.gz QNCXHNMMDHOHOR-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557186 1331971788 /nfs/dbraw/zinc/97/17/88/1331971788.db2.gz CKKXCWUWUVRTAD-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943287072 1332138129 /nfs/dbraw/zinc/13/81/29/1332138129.db2.gz HSGKVDNGVMJOAH-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586278 1332858123 /nfs/dbraw/zinc/85/81/23/1332858123.db2.gz ASKOUKNPLOIFBD-VNTMZGSJSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946624010 1332864898 /nfs/dbraw/zinc/86/48/98/1332864898.db2.gz YMCOFUDMZAOZGL-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859445 1332918137 /nfs/dbraw/zinc/91/81/37/1332918137.db2.gz VGZZGDQWNDVDOA-VNTMZGSJSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946901922 1332928882 /nfs/dbraw/zinc/92/88/82/1332928882.db2.gz HXKRGPQIBCLMCZ-AQNXPRMDSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC1CCCC1 ZINC000947726606 1333242126 /nfs/dbraw/zinc/24/21/26/1333242126.db2.gz RFHFKBZQBXYMBH-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC(C)(C)C ZINC000947727544 1333242341 /nfs/dbraw/zinc/24/23/41/1333242341.db2.gz YXABLTAJFNQLFP-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947799762 1333265792 /nfs/dbraw/zinc/26/57/92/1333265792.db2.gz CORHQFOKDBZRQH-QFBILLFUSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC1CCCCCC1 ZINC000947933967 1333311346 /nfs/dbraw/zinc/31/13/46/1333311346.db2.gz ILXJKXNNJRDQNQ-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948066987 1333362244 /nfs/dbraw/zinc/36/22/44/1333362244.db2.gz SYHHBLMRBLUJDL-PKOBYXMFSA-N 2 0 343.515 3.297 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372625 1333498724 /nfs/dbraw/zinc/49/87/24/1333498724.db2.gz GGHHZSPLSWULRA-GOSISDBHSA-N 2 0 337.552 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377118 1333501905 /nfs/dbraw/zinc/50/19/05/1333501905.db2.gz HCFMDOKPNUYUCT-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948554219 1333573438 /nfs/dbraw/zinc/57/34/38/1333573438.db2.gz SFLIIUWKLVGXIF-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948634291 1333604746 /nfs/dbraw/zinc/60/47/46/1333604746.db2.gz VBSLRVXVTDCGGD-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948711871 1333643665 /nfs/dbraw/zinc/64/36/65/1333643665.db2.gz VKLQBVZXILYEJW-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767554 1333670642 /nfs/dbraw/zinc/67/06/42/1333670642.db2.gz YGBABVMJAKFWKS-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC000950707900 1334119363 /nfs/dbraw/zinc/11/93/63/1334119363.db2.gz CJZOQYGHCLYEFA-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206245 1335676757 /nfs/dbraw/zinc/67/67/57/1335676757.db2.gz NDORFPNJWVXKED-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708783 1335805179 /nfs/dbraw/zinc/80/51/79/1335805179.db2.gz VRHMVZDXZOIORJ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968492344 1335941016 /nfs/dbraw/zinc/94/10/16/1335941016.db2.gz IBPGYZUEMKIITI-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968646201 1335995297 /nfs/dbraw/zinc/99/52/97/1335995297.db2.gz BVLLIQJZEBMDMX-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC000968782736 1336048562 /nfs/dbraw/zinc/04/85/62/1336048562.db2.gz ZBWTVURKQKKCQO-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968851437 1336067725 /nfs/dbraw/zinc/06/77/25/1336067725.db2.gz QYXVQOUPZYVBNF-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968915296 1336087684 /nfs/dbraw/zinc/08/76/84/1336087684.db2.gz HEPGKDPACFIXQD-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968928552 1336092694 /nfs/dbraw/zinc/09/26/94/1336092694.db2.gz NVVDWFLEDGRKLH-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968971293 1336105049 /nfs/dbraw/zinc/10/50/49/1336105049.db2.gz XOKGBXOOCCIEHP-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968991357 1336112348 /nfs/dbraw/zinc/11/23/48/1336112348.db2.gz YIOXPBIQNYNACL-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC000969014056 1336118475 /nfs/dbraw/zinc/11/84/75/1336118475.db2.gz OOLOXIFBYVCUGI-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100941 1336143703 /nfs/dbraw/zinc/14/37/03/1336143703.db2.gz MESRJTMGHVADCD-HXUWFJFHSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109218 1336147562 /nfs/dbraw/zinc/14/75/62/1336147562.db2.gz XVDJYOBSJXINMA-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CCCCC2)C1 ZINC000969144425 1336160967 /nfs/dbraw/zinc/16/09/67/1336160967.db2.gz LNECUOQULVGBNT-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CC2)c1 ZINC000969153576 1336164233 /nfs/dbraw/zinc/16/42/33/1336164233.db2.gz KJTUKMWLTQSLJD-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC000969706291 1336238535 /nfs/dbraw/zinc/23/85/35/1336238535.db2.gz KNGDURBFOCKOPA-FFZOFVMBSA-N 2 0 347.547 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969794719 1336248005 /nfs/dbraw/zinc/24/80/05/1336248005.db2.gz ZKRJOKHLWGIOJP-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)cc1 ZINC000970269840 1336291883 /nfs/dbraw/zinc/29/18/83/1336291883.db2.gz BYCDSOLIZPXNIP-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1C[NH+](CCC(C)(C)C)C1 ZINC000970593496 1336325800 /nfs/dbraw/zinc/32/58/00/1336325800.db2.gz NVMSYANJERNBPO-MRXNPFEDSA-N 2 0 345.531 3.235 20 0 EGADRP CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970594341 1336325856 /nfs/dbraw/zinc/32/58/56/1336325856.db2.gz UNAGDYVUTYEQNA-MRXNPFEDSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005504944 1336363694 /nfs/dbraw/zinc/36/36/94/1336363694.db2.gz VSOQWVRFLNALPX-LJQANCHMSA-N 2 0 335.536 3.116 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005712418 1336396332 /nfs/dbraw/zinc/39/63/32/1336396332.db2.gz DNPCYOATKHNPCE-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001005871500 1336413793 /nfs/dbraw/zinc/41/37/93/1336413793.db2.gz ANMZNQZNECYDPH-FQEVSTJZSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005998011 1336435923 /nfs/dbraw/zinc/43/59/23/1336435923.db2.gz RDKNSCKZRXIZFS-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006083530 1336449261 /nfs/dbraw/zinc/44/92/61/1336449261.db2.gz HIVUWCYMCHCOPF-LJQANCHMSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006439723 1336506273 /nfs/dbraw/zinc/50/62/73/1336506273.db2.gz QSPCKWRYHQSTGR-MRXNPFEDSA-N 2 0 349.494 3.033 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001006439584 1336506521 /nfs/dbraw/zinc/50/65/21/1336506521.db2.gz OTQKGQRBAWQOEN-YHYXMXQVSA-N 2 0 349.906 3.037 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001007648943 1336684008 /nfs/dbraw/zinc/68/40/08/1336684008.db2.gz VQCDDZKGDPDPJU-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007949092 1336737495 /nfs/dbraw/zinc/73/74/95/1336737495.db2.gz JTTAXVIEVUNNQV-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053488 1336759902 /nfs/dbraw/zinc/75/99/02/1336759902.db2.gz USQFUVSVGZJFGC-HKUYNNGSSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCC1 ZINC001008166037 1336783071 /nfs/dbraw/zinc/78/30/71/1336783071.db2.gz YBNSNDIZBCJRSR-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(F)ccc2Br)CCC[C@H]1C[NH3+] ZINC001205994415 1370932959 /nfs/dbraw/zinc/93/29/59/1370932959.db2.gz LMIJDURXCWBAJK-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540664 1336877989 /nfs/dbraw/zinc/87/79/89/1336877989.db2.gz OPGWEMHSDAXPNS-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001008551353 1336879800 /nfs/dbraw/zinc/87/98/00/1336879800.db2.gz OYINZDSLGDDLEW-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001009164942 1336979729 /nfs/dbraw/zinc/97/97/29/1336979729.db2.gz BHASCLSPEJPMBM-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001009170210 1336980681 /nfs/dbraw/zinc/98/06/81/1336980681.db2.gz RCKWBUMIFSBDMD-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001009170212 1336980822 /nfs/dbraw/zinc/98/08/22/1336980822.db2.gz RCKWBUMIFSBDMD-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001009631352 1337049771 /nfs/dbraw/zinc/04/97/71/1337049771.db2.gz AZRXDDMSSQPRNO-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001009639626 1337050912 /nfs/dbraw/zinc/05/09/12/1337050912.db2.gz YSPWGKBEXWIJAU-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001009633950 1337051058 /nfs/dbraw/zinc/05/10/58/1337051058.db2.gz HJRWBTUDLRDNMW-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001014707766 1337877397 /nfs/dbraw/zinc/87/73/97/1337877397.db2.gz UZVBRPBSMDJWEL-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCCC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015387996 1338120735 /nfs/dbraw/zinc/12/07/35/1338120735.db2.gz OHNCMHBNVIRKGC-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603788 1338204698 /nfs/dbraw/zinc/20/46/98/1338204698.db2.gz YIXYAIQHIAFTFJ-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001015971591 1338385419 /nfs/dbraw/zinc/38/54/19/1338385419.db2.gz BRLVOONWGRQQAH-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001015976389 1338387955 /nfs/dbraw/zinc/38/79/55/1338387955.db2.gz MLTATMCHKIHIGJ-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016615815 1338665343 /nfs/dbraw/zinc/66/53/43/1338665343.db2.gz XSAKJOFPBQMPDZ-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016829642 1338739720 /nfs/dbraw/zinc/73/97/20/1338739720.db2.gz MHXNUAGTHQVAEV-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001017142271 1338893594 /nfs/dbraw/zinc/89/35/94/1338893594.db2.gz MFUDPFRPYGHPJE-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001017152225 1338902805 /nfs/dbraw/zinc/90/28/05/1338902805.db2.gz LQXQUTWQSXPHNH-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017153457 1338904474 /nfs/dbraw/zinc/90/44/74/1338904474.db2.gz PVRLEPYFFTUDAG-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001017154626 1338905426 /nfs/dbraw/zinc/90/54/26/1338905426.db2.gz VXOLPVGZCHRGEP-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017267542 1338993763 /nfs/dbraw/zinc/99/37/63/1338993763.db2.gz QJHHMTJWYZAOID-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017658607 1339385579 /nfs/dbraw/zinc/38/55/79/1339385579.db2.gz IFURMKBHCUYYCY-HAGHYFMRSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[NH+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CCCC)C2 ZINC001018166098 1339520079 /nfs/dbraw/zinc/52/00/79/1339520079.db2.gz PQCBFWVBZMMRKG-OTWHNJEPSA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(CC)CC)C1 ZINC001028088962 1340417978 /nfs/dbraw/zinc/41/79/78/1340417978.db2.gz RYABLWVLHAQRTF-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP O=C(NC[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001028594642 1340719783 /nfs/dbraw/zinc/71/97/83/1340719783.db2.gz JKPWZLBHLQQMDU-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845920 1340857337 /nfs/dbraw/zinc/85/73/37/1340857337.db2.gz TXMQKIRCVGLNKA-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001029132926 1340939003 /nfs/dbraw/zinc/93/90/03/1340939003.db2.gz BXQGASRIBKQTNZ-QFBILLFUSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001029154829 1340944715 /nfs/dbraw/zinc/94/47/15/1340944715.db2.gz QJXJTZBJCVQUSR-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1)C1CCC1 ZINC001029340072 1340974188 /nfs/dbraw/zinc/97/41/88/1340974188.db2.gz YGBZCBSHYPYOKZ-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001029550190 1341010726 /nfs/dbraw/zinc/01/07/26/1341010726.db2.gz DDALTRVTIBASAZ-ZRNYENFQSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001029754944 1341064141 /nfs/dbraw/zinc/06/41/41/1341064141.db2.gz GSMQAYLBMPZVHA-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCC1)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001029966503 1341137442 /nfs/dbraw/zinc/13/74/42/1341137442.db2.gz ZNTKPJQVRQGYJV-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001030002915 1341153810 /nfs/dbraw/zinc/15/38/10/1341153810.db2.gz SKHWVTJSCWLBJB-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001030019509 1341159734 /nfs/dbraw/zinc/15/97/34/1341159734.db2.gz GDMIEPCARLVNMZ-WSTZPKSXSA-N 2 0 345.531 3.285 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001030825865 1341230925 /nfs/dbraw/zinc/23/09/25/1341230925.db2.gz RDUATCFQMDHDGI-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001032094288 1341454151 /nfs/dbraw/zinc/45/41/51/1341454151.db2.gz FRWGDJJAJRESIY-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840084 1341631015 /nfs/dbraw/zinc/63/10/15/1341631015.db2.gz JKNGUGSBDHTHEN-IJXRJRJASA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033074308 1341716069 /nfs/dbraw/zinc/71/60/69/1341716069.db2.gz YDXSPAPNXVWEKS-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395362 1341812041 /nfs/dbraw/zinc/81/20/41/1341812041.db2.gz IDXPHHIKYANNMT-WOJBJXKFSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395359 1341812084 /nfs/dbraw/zinc/81/20/84/1341812084.db2.gz IDXPHHIKYANNMT-PMACEKPBSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033472653 1341840313 /nfs/dbraw/zinc/84/03/13/1341840313.db2.gz ZRRVAJGLHVMPDP-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033472228 1341840320 /nfs/dbraw/zinc/84/03/20/1341840320.db2.gz UOYUAZZQGZTJMK-QZTJIDSGSA-N 2 0 337.552 3.218 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033474458 1341840752 /nfs/dbraw/zinc/84/07/52/1341840752.db2.gz HWJQSNXQQUCJER-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033684481 1341950253 /nfs/dbraw/zinc/95/02/53/1341950253.db2.gz GGKIDSUXUYAWAM-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001034040361 1342180786 /nfs/dbraw/zinc/18/07/86/1342180786.db2.gz SSBGCMVBRHAWKT-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001034129846 1342259282 /nfs/dbraw/zinc/25/92/82/1342259282.db2.gz DLPRVUTWEHUBGI-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034205143 1342316535 /nfs/dbraw/zinc/31/65/35/1342316535.db2.gz STZZDCDODSGLKS-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001034216977 1342323237 /nfs/dbraw/zinc/32/32/37/1342323237.db2.gz MQPYFSBVSAVJBP-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308584 1342392124 /nfs/dbraw/zinc/39/21/24/1342392124.db2.gz CUPITYXNLCZLSL-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](Cc2ccsc2)C1)[NH+]1CCCC1 ZINC001034340961 1342414667 /nfs/dbraw/zinc/41/46/67/1342414667.db2.gz WWYIXGOLWOZYPM-KRWDZBQOSA-N 2 0 349.544 3.093 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC=C(C)C)C2)C1 ZINC001034367960 1342437797 /nfs/dbraw/zinc/43/77/97/1342437797.db2.gz ITWXUYJIYGQSBV-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001034370001 1342439312 /nfs/dbraw/zinc/43/93/12/1342439312.db2.gz ITRSRDYKYPORCD-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034395712 1342463439 /nfs/dbraw/zinc/46/34/39/1342463439.db2.gz BWMHWGWNRFNMLJ-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034396071 1342464836 /nfs/dbraw/zinc/46/48/36/1342464836.db2.gz CSZBSEUIFDUVEB-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439000 1342501249 /nfs/dbraw/zinc/50/12/49/1342501249.db2.gz REQGBCKDVWQTJT-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034460153 1342516134 /nfs/dbraw/zinc/51/61/34/1342516134.db2.gz CKLASTVWMRSXMO-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034490632 1342547091 /nfs/dbraw/zinc/54/70/91/1342547091.db2.gz MKDIKTAFDUUKDZ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001034720704 1342714641 /nfs/dbraw/zinc/71/46/41/1342714641.db2.gz HAFFRWRZMPPZGL-MXVIHJGJSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1)[NH+]1CCCCCC1 ZINC001034748885 1342736918 /nfs/dbraw/zinc/73/69/18/1342736918.db2.gz FREYXBJPZMWSBO-TZCBXBLLSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001034750493 1342737934 /nfs/dbraw/zinc/73/79/34/1342737934.db2.gz XBFRUJWLPFVZEE-WDSOQIARSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034792102 1342761121 /nfs/dbraw/zinc/76/11/21/1342761121.db2.gz FALNBQNOYOZYOZ-VJANTYMQSA-N 2 0 343.515 3.025 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034795652 1342762847 /nfs/dbraw/zinc/76/28/47/1342762847.db2.gz NZPGZWXVWDRZES-VAMGGRTRSA-N 2 0 343.515 3.078 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034934532 1342843305 /nfs/dbraw/zinc/84/33/05/1342843305.db2.gz PUGMGZDFOCGIDC-RTBURBONSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001034954694 1342851990 /nfs/dbraw/zinc/85/19/90/1342851990.db2.gz UDLVARYFZDQDAT-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001034957548 1342852610 /nfs/dbraw/zinc/85/26/10/1342852610.db2.gz ZZXWLRDTHVFCJD-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001034958564 1342853384 /nfs/dbraw/zinc/85/33/84/1342853384.db2.gz KOQRTYJIJPJCOL-QZTJIDSGSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034980145 1342863422 /nfs/dbraw/zinc/86/34/22/1342863422.db2.gz OZZUGSXZLMOKDB-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001035011449 1342874687 /nfs/dbraw/zinc/87/46/87/1342874687.db2.gz XLXQMIJZYHWQIE-PKOBYXMFSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001035023463 1342882432 /nfs/dbraw/zinc/88/24/32/1342882432.db2.gz ZNAOGIONVQNHHX-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC[N@H+](CCC3CCCC3)C2)CC1)[NH+](C)C ZINC001035197728 1343010415 /nfs/dbraw/zinc/01/04/15/1343010415.db2.gz SUTMQVDWQFGFLE-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035256942 1343083690 /nfs/dbraw/zinc/08/36/90/1343083690.db2.gz PCMGOROPOPTYQI-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(C[NH+](C[C@H](C)CC)C3)CC2)C1 ZINC001035773323 1343184396 /nfs/dbraw/zinc/18/43/96/1343184396.db2.gz XBDQJKGPKGXLFY-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1)[NH+](C)C ZINC001035788348 1343200239 /nfs/dbraw/zinc/20/02/39/1343200239.db2.gz XZJDZVRZZISWLU-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035856885 1343233201 /nfs/dbraw/zinc/23/32/01/1343233201.db2.gz DRHYVPNABORUNM-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CC2(C1)CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)CC2 ZINC001035859404 1343235328 /nfs/dbraw/zinc/23/53/28/1343235328.db2.gz CGMVDDOWUBBNKB-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036201167 1343360573 /nfs/dbraw/zinc/36/05/73/1343360573.db2.gz BZLBVFNFPTUTFZ-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001036423116 1343477302 /nfs/dbraw/zinc/47/73/02/1343477302.db2.gz ZUVFHACTUIGWKO-SJLPKXTDSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793945 1343726592 /nfs/dbraw/zinc/72/65/92/1343726592.db2.gz NDPIOGCBTXRUEX-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793946 1343727183 /nfs/dbraw/zinc/72/71/83/1343727183.db2.gz NDPIOGCBTXRUEX-ZWKOTPCHSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842079 1343780571 /nfs/dbraw/zinc/78/05/71/1343780571.db2.gz JXHVUFWBPCHSBR-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904290 1343851196 /nfs/dbraw/zinc/85/11/96/1343851196.db2.gz PFNIAPXFKWXJEZ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001037211128 1344045110 /nfs/dbraw/zinc/04/51/10/1344045110.db2.gz CTXCVDYCJIUCPR-ICSRJNTNSA-N 2 0 345.531 3.077 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037903712 1344168894 /nfs/dbraw/zinc/16/88/94/1344168894.db2.gz JKBPPDLRHRPKRR-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038464251 1344435503 /nfs/dbraw/zinc/43/55/03/1344435503.db2.gz CEJURCFANKLAIE-QFBILLFUSA-N 2 0 348.450 3.208 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038625929 1344509741 /nfs/dbraw/zinc/50/97/41/1344509741.db2.gz SVSNDDSGHKQIBR-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCC1 ZINC001038782469 1344582018 /nfs/dbraw/zinc/58/20/18/1344582018.db2.gz UASUQPDSCXBDQM-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCC2)o1 ZINC001039071577 1344754487 /nfs/dbraw/zinc/75/44/87/1344754487.db2.gz AUQGZTKJABROJE-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001039232119 1344951950 /nfs/dbraw/zinc/95/19/50/1344951950.db2.gz SZSSIOTVZJTPGJ-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001039658483 1345153949 /nfs/dbraw/zinc/15/39/49/1345153949.db2.gz MSQHUSDHUDHXJH-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040261773 1345400386 /nfs/dbraw/zinc/40/03/86/1345400386.db2.gz AJQCNROVGQCOMY-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041278335 1345692488 /nfs/dbraw/zinc/69/24/88/1345692488.db2.gz URUCTWMSEAEMPZ-RXVVDRJESA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC001041599172 1345788185 /nfs/dbraw/zinc/78/81/85/1345788185.db2.gz FYPGKZXFMMIKFP-WFXMLNOXSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041671682 1345817812 /nfs/dbraw/zinc/81/78/12/1345817812.db2.gz NGPOYVSIIFJZJN-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042286692 1346017030 /nfs/dbraw/zinc/01/70/30/1346017030.db2.gz BUEZGPAZFVEKOO-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001042925181 1346125216 /nfs/dbraw/zinc/12/52/16/1346125216.db2.gz YKYZBAXNFHSDKM-HXUWFJFHSA-N 2 0 347.547 3.116 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H](C)C2)cs1 ZINC001044630798 1346388028 /nfs/dbraw/zinc/38/80/28/1346388028.db2.gz YXFXOSIAAKYARK-YOEHRIQHSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044856970 1346447095 /nfs/dbraw/zinc/44/70/95/1346447095.db2.gz CTLXMSFMRDKQED-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045033818 1346483930 /nfs/dbraw/zinc/48/39/30/1346483930.db2.gz GASKNIZNEQQFBC-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045066756 1346489315 /nfs/dbraw/zinc/48/93/15/1346489315.db2.gz FSZSHJGKOLGTOV-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC001045122893 1346498690 /nfs/dbraw/zinc/49/86/90/1346498690.db2.gz QQMFBVMTVXARJH-JXFKEZNVSA-N 2 0 348.450 3.290 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045133838 1346500791 /nfs/dbraw/zinc/50/07/91/1346500791.db2.gz HUVIKNRPINTRRI-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001045149173 1346506482 /nfs/dbraw/zinc/50/64/82/1346506482.db2.gz UQLYMOZLKSSXAG-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045163964 1346511573 /nfs/dbraw/zinc/51/15/73/1346511573.db2.gz CHCGRXBNKJBJCD-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001045201866 1346528862 /nfs/dbraw/zinc/52/88/62/1346528862.db2.gz JVZPWTRHWDGVPV-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccccc1Cl ZINC001045310881 1346556257 /nfs/dbraw/zinc/55/62/57/1346556257.db2.gz VUPKOONRZRHMAJ-CVEARBPZSA-N 2 0 349.906 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC001045322268 1346560046 /nfs/dbraw/zinc/56/00/46/1346560046.db2.gz JZXFUBXKFRCPCI-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001045437806 1346593734 /nfs/dbraw/zinc/59/37/34/1346593734.db2.gz FCHGPKOGIBBVGK-KRWDZBQOSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001045440949 1346594713 /nfs/dbraw/zinc/59/47/13/1346594713.db2.gz RKBODCPJJDDENX-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001045650002 1346659454 /nfs/dbraw/zinc/65/94/54/1346659454.db2.gz APFAFCWCORBYQK-UHFFFAOYSA-N 2 0 335.492 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1)C1CCC1 ZINC001045795117 1346700286 /nfs/dbraw/zinc/70/02/86/1346700286.db2.gz PUZLCHHRUHDZRI-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001045842165 1346717520 /nfs/dbraw/zinc/71/75/20/1346717520.db2.gz YFIOCSJZVWQKSL-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986187 1346827915 /nfs/dbraw/zinc/82/79/15/1346827915.db2.gz JLVKPBOOQFSYCW-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046316020 1346931330 /nfs/dbraw/zinc/93/13/30/1346931330.db2.gz MHBXAOVNOBGYLP-CTNGQTDRSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001046316278 1346932154 /nfs/dbraw/zinc/93/21/54/1346932154.db2.gz NKGLKXIXTOZRKV-PKOBYXMFSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001046316777 1346932245 /nfs/dbraw/zinc/93/22/45/1346932245.db2.gz RDQSKNJFNAACHH-ICSRJNTNSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047258147 1347281107 /nfs/dbraw/zinc/28/11/07/1347281107.db2.gz YEJGYNZMLODNOC-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047987463 1347435225 /nfs/dbraw/zinc/43/52/25/1347435225.db2.gz BISOHVWUPKILLT-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048338939 1347523105 /nfs/dbraw/zinc/52/31/05/1347523105.db2.gz OQOOLYOVVRLZLI-HKUYNNGSSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574185 1347600369 /nfs/dbraw/zinc/60/03/69/1347600369.db2.gz RRYGYJINMDEHCC-OBKDMQGPSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049504216 1347880995 /nfs/dbraw/zinc/88/09/95/1347880995.db2.gz FABHQGXKUGPITB-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001049531592 1347894553 /nfs/dbraw/zinc/89/45/53/1347894553.db2.gz CJWWGGVJGBMRRH-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049532373 1347895458 /nfs/dbraw/zinc/89/54/58/1347895458.db2.gz IHDUVGJOCBGRHL-UFYCRDLUSA-N 2 0 347.547 3.138 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001049837439 1348050163 /nfs/dbraw/zinc/05/01/63/1348050163.db2.gz PQOQSARRVHKVPL-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC001050265221 1348222781 /nfs/dbraw/zinc/22/27/81/1348222781.db2.gz LJJVUJVOXXEWRZ-PXNSSMCTSA-N 2 0 345.531 3.482 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050357066 1348236717 /nfs/dbraw/zinc/23/67/17/1348236717.db2.gz JDAGSQVULJWUFW-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(CC)CC)CC2 ZINC001050536518 1348285761 /nfs/dbraw/zinc/28/57/61/1348285761.db2.gz LZDHQIKZDDXVIZ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052377141 1348535255 /nfs/dbraw/zinc/53/52/55/1348535255.db2.gz NPALFUUUZMXQDP-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001052395183 1348539448 /nfs/dbraw/zinc/53/94/48/1348539448.db2.gz MCGGBYHCRFQEQE-HSALFYBXSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001052394913 1348539645 /nfs/dbraw/zinc/53/96/45/1348539645.db2.gz HMYLMRJPRYVDDO-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001052395208 1348539815 /nfs/dbraw/zinc/53/98/15/1348539815.db2.gz NBWJNLBSEAHLQD-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052506840 1348561497 /nfs/dbraw/zinc/56/14/97/1348561497.db2.gz MRUHDZJURKZZSA-NVXWUHKLSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591638 1348588530 /nfs/dbraw/zinc/58/85/30/1348588530.db2.gz PYMYDUJQJKEPBR-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787835 1348679239 /nfs/dbraw/zinc/67/92/39/1348679239.db2.gz MQTXPOUQBZYBGG-HXUWFJFHSA-N 2 0 343.515 3.299 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788552 1348679832 /nfs/dbraw/zinc/67/98/32/1348679832.db2.gz SUFRNBXGVKLRES-XLIONFOSSA-N 2 0 345.531 3.379 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC001052821599 1348690076 /nfs/dbraw/zinc/69/00/76/1348690076.db2.gz ZIVJIBXDSUNPKY-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052867399 1348710754 /nfs/dbraw/zinc/71/07/54/1348710754.db2.gz LYJKPYWLZWRMQY-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052955405 1348769336 /nfs/dbraw/zinc/76/93/36/1348769336.db2.gz FLVGDQYCXZNUFB-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036896 1348837096 /nfs/dbraw/zinc/83/70/96/1348837096.db2.gz RVDNOTLWYKNBJF-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087199 1348910525 /nfs/dbraw/zinc/91/05/25/1348910525.db2.gz IWIDLJOBNUAALO-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087670 1348911775 /nfs/dbraw/zinc/91/17/75/1348911775.db2.gz MWSINEPBPBXSNQ-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214016 1349213412 /nfs/dbraw/zinc/21/34/12/1349213412.db2.gz OYCWNLKUXJXVTH-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245138 1349238981 /nfs/dbraw/zinc/23/89/81/1349238981.db2.gz OYVIGABTVTVPDF-PZJWPPBQSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cc2C1 ZINC001054266011 1349264074 /nfs/dbraw/zinc/26/40/74/1349264074.db2.gz IENXHEVKHOBVAK-VQTJNVASSA-N 2 0 343.515 3.149 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269580 1349268185 /nfs/dbraw/zinc/26/81/85/1349268185.db2.gz FVOZIYWSOGBWEC-UXHICEINSA-N 2 0 341.499 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054292268 1349298517 /nfs/dbraw/zinc/29/85/17/1349298517.db2.gz XOAXMQSSZPKOEK-LJQANCHMSA-N 2 0 343.515 3.006 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037932 1357463651 /nfs/dbraw/zinc/46/36/51/1357463651.db2.gz WBXAFMIENFQCBB-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC001054968117 1349530642 /nfs/dbraw/zinc/53/06/42/1349530642.db2.gz CAIIWRRFYZBVLC-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1Br ZINC001232665390 1376496178 /nfs/dbraw/zinc/49/61/78/1376496178.db2.gz GZNVAQMVNKFUTA-UHFFFAOYSA-N 2 0 338.293 3.070 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383783 1357597255 /nfs/dbraw/zinc/59/72/55/1357597255.db2.gz XJPNYJPIZXAEMC-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001071508463 1354733676 /nfs/dbraw/zinc/73/36/76/1354733676.db2.gz OKPXWQYIXQKENE-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@@H+]1CC1CCCC1 ZINC001071600061 1354787967 /nfs/dbraw/zinc/78/79/67/1354787967.db2.gz FMGJMLMVCDUGEU-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627371 1354811471 /nfs/dbraw/zinc/81/14/71/1354811471.db2.gz DRZUGJJJJRHDON-GDBMZVCRSA-N 2 0 328.460 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071651024 1354827103 /nfs/dbraw/zinc/82/71/03/1354827103.db2.gz FUEOCDHIGVGSOY-QAPCUYQASA-N 2 0 342.487 3.353 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821592 1354960772 /nfs/dbraw/zinc/96/07/72/1354960772.db2.gz QNELPZWCOKWHPX-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001094241658 1361758527 /nfs/dbraw/zinc/75/85/27/1361758527.db2.gz UNTJEJNQUZGRIF-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)CC1 ZINC001073099766 1355595979 /nfs/dbraw/zinc/59/59/79/1355595979.db2.gz KEUXTOXOMBEXKZ-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)C2 ZINC001073116344 1355605367 /nfs/dbraw/zinc/60/53/67/1355605367.db2.gz LYLVQRDJPPMBPN-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)C1 ZINC001073125679 1355610424 /nfs/dbraw/zinc/61/04/24/1355610424.db2.gz FDVOQSOXBVHPCH-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074693799 1356224575 /nfs/dbraw/zinc/22/45/75/1356224575.db2.gz TYTGMOLRZLSXSG-SXLOBPIMSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)CC1 ZINC001075458606 1356391006 /nfs/dbraw/zinc/39/10/06/1356391006.db2.gz LDUPLHWVZIIGLX-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)CC1 ZINC001097774628 1363117777 /nfs/dbraw/zinc/11/77/77/1363117777.db2.gz APPHYHDZHQMEOR-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107384 1363626178 /nfs/dbraw/zinc/62/61/78/1363626178.db2.gz YWHDZRSMIGYQBZ-JNVNVXKGSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126837 1363639569 /nfs/dbraw/zinc/63/95/69/1363639569.db2.gz YLXIFUPEWFRFHQ-AQRBRUGDSA-N 2 0 337.552 3.290 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099316159 1363745498 /nfs/dbraw/zinc/74/54/98/1363745498.db2.gz NNCRYYLRZDAUHE-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001080756137 1357733578 /nfs/dbraw/zinc/73/35/78/1357733578.db2.gz JRFAVMNNOANXAZ-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082741130 1358085725 /nfs/dbraw/zinc/08/57/25/1358085725.db2.gz QGJDWAQEKIFQNE-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)C)C[C@H]21 ZINC001084767732 1358304799 /nfs/dbraw/zinc/30/47/99/1358304799.db2.gz HOWQRUMDSGEKJT-VAMGGRTRSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049779 1358378256 /nfs/dbraw/zinc/37/82/56/1358378256.db2.gz YKLBTYSCSQGBIM-ZCNNSNEGSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001085152731 1358413736 /nfs/dbraw/zinc/41/37/36/1358413736.db2.gz PANLNNYPHDXDFB-QRVBRYPASA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085217947 1358436372 /nfs/dbraw/zinc/43/63/72/1358436372.db2.gz YVDJQIGKJADVAZ-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001085240515 1358440862 /nfs/dbraw/zinc/44/08/62/1358440862.db2.gz IOCVCFIYYPQEJO-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085245919 1358442940 /nfs/dbraw/zinc/44/29/40/1358442940.db2.gz UGRGYNFLLPNBBT-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001085284332 1358451547 /nfs/dbraw/zinc/45/15/47/1358451547.db2.gz UIUTWAXUJDKTGB-WOJBJXKFSA-N 2 0 345.531 3.077 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)C1 ZINC001085333485 1358469876 /nfs/dbraw/zinc/46/98/76/1358469876.db2.gz RJDWXBQDRDSDOS-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085332138 1358470022 /nfs/dbraw/zinc/47/00/22/1358470022.db2.gz LTQCYYVURZQXQE-BHIYHBOVSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001323336049 1387341753 /nfs/dbraw/zinc/34/17/53/1387341753.db2.gz PBBLWSWRRCCHGK-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085594070 1358620654 /nfs/dbraw/zinc/62/06/54/1358620654.db2.gz YDJCUSBTDIUIMZ-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085687554 1358688623 /nfs/dbraw/zinc/68/86/23/1358688623.db2.gz QNLADQXKBHBVLS-WOJBJXKFSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCC1 ZINC001085688856 1358689632 /nfs/dbraw/zinc/68/96/32/1358689632.db2.gz STCJXEOOWYEOGF-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001085783229 1358757900 /nfs/dbraw/zinc/75/79/00/1358757900.db2.gz QLLGYBBBYXMRHZ-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085988163 1358939610 /nfs/dbraw/zinc/93/96/10/1358939610.db2.gz WRSIMOZBSOIFJZ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986913 1358939735 /nfs/dbraw/zinc/93/97/35/1358939735.db2.gz PGLOERNHBWZUQT-GOSISDBHSA-N 2 0 345.531 3.331 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086122386 1359002734 /nfs/dbraw/zinc/00/27/34/1359002734.db2.gz IZIFATPUVXVUOD-GNBUJSLZSA-N 2 0 343.515 3.025 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086175073 1359015381 /nfs/dbraw/zinc/01/53/81/1359015381.db2.gz GCIIJRJBQPLHQX-AQNXPRMDSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086216823 1359030696 /nfs/dbraw/zinc/03/06/96/1359030696.db2.gz AVBVZCKNAKJQFR-ZCNNSNEGSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086364620 1359078489 /nfs/dbraw/zinc/07/84/89/1359078489.db2.gz LHCKXSQNHZZUQX-UFYCRDLUSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001086503041 1359122384 /nfs/dbraw/zinc/12/23/84/1359122384.db2.gz ZSUJKPIZVFKBMQ-WTGUMLROSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001086717046 1359190827 /nfs/dbraw/zinc/19/08/27/1359190827.db2.gz DAPWYMUOHGYCHR-NLWGTHIKSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086740342 1359193923 /nfs/dbraw/zinc/19/39/23/1359193923.db2.gz UYLSTYGNNCKXTD-ZCNNSNEGSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086850119 1359213489 /nfs/dbraw/zinc/21/34/89/1359213489.db2.gz RDHLDDISOBRFLW-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](CC(C)C)CC3)CC[N@@H+]1C ZINC001086924758 1359250221 /nfs/dbraw/zinc/25/02/21/1359250221.db2.gz BCFAJFRXUDOZSX-GBESFXJTSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086946505 1359267758 /nfs/dbraw/zinc/26/77/58/1359267758.db2.gz BBLXFBNWFGAMLD-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001087168190 1359312391 /nfs/dbraw/zinc/31/23/91/1359312391.db2.gz YETXPSAOTOFOMN-IZBJGVDFSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087201558 1359319831 /nfs/dbraw/zinc/31/98/31/1359319831.db2.gz UNMAKYRHYPOYMN-HOJAQTOUSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001087214809 1359323040 /nfs/dbraw/zinc/32/30/40/1359323040.db2.gz OZKNRCNJAKOPBT-NEWSRXKRSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087523084 1359509656 /nfs/dbraw/zinc/50/96/56/1359509656.db2.gz ITPWQXXNXPAPKH-OTWHNJEPSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CCCC1 ZINC001087567470 1359535029 /nfs/dbraw/zinc/53/50/29/1359535029.db2.gz QPKPGFWLIRRCAW-OTWHNJEPSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001087602561 1359550955 /nfs/dbraw/zinc/55/09/55/1359550955.db2.gz UPFMBPHAVXIARV-ZCNNSNEGSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC1CCCC1 ZINC001087640604 1359566821 /nfs/dbraw/zinc/56/68/21/1359566821.db2.gz MEHTVEGTIAQOSK-RBUKOAKNSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001087699479 1359598773 /nfs/dbraw/zinc/59/87/73/1359598773.db2.gz WCNJYTPYRHGQQM-ZCNNSNEGSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087728182 1359614106 /nfs/dbraw/zinc/61/41/06/1359614106.db2.gz IMKJKBBROVQAHV-ZWKOTPCHSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCCC1CCCC1 ZINC001087796895 1359650318 /nfs/dbraw/zinc/65/03/18/1359650318.db2.gz QDMAZQLMLHLODG-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001088327017 1359831230 /nfs/dbraw/zinc/83/12/30/1359831230.db2.gz DCUKQZWKXOWTHF-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088327569 1359831483 /nfs/dbraw/zinc/83/14/83/1359831483.db2.gz QHROJFNSBIVYPJ-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1c(C(=O)N2CCCCC[C@H]([NH2+]C(C)C)C2)ccc2c[nH+]cn21 ZINC001088337521 1359832557 /nfs/dbraw/zinc/83/25/57/1359832557.db2.gz HTWWYVWRHINRLW-INIZCTEOSA-N 2 0 328.460 3.026 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001088382992 1359865232 /nfs/dbraw/zinc/86/52/32/1359865232.db2.gz RBVOTKDEBDAXTM-WMZOPIPTSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430119 1359897354 /nfs/dbraw/zinc/89/73/54/1359897354.db2.gz IFQJLSMXKSBJFA-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001088430906 1359898513 /nfs/dbraw/zinc/89/85/13/1359898513.db2.gz BGZIMDAXMLOBJA-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088563395 1359974279 /nfs/dbraw/zinc/97/42/79/1359974279.db2.gz PBKGDUKOYSNCKJ-NZSAHSFTSA-N 2 0 335.536 3.019 20 0 EGADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C)cs1 ZINC001088563230 1359974753 /nfs/dbraw/zinc/97/47/53/1359974753.db2.gz ISNGSRWPAIUVRH-NJAFHUGGSA-N 2 0 349.544 3.008 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001088939414 1360108175 /nfs/dbraw/zinc/10/81/75/1360108175.db2.gz OXRZGUAWUBHYFV-MLFFRYNPSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001088980587 1360123714 /nfs/dbraw/zinc/12/37/14/1360123714.db2.gz MICALNMAOLKOBQ-QRQLOZEOSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001089060807 1360153097 /nfs/dbraw/zinc/15/30/97/1360153097.db2.gz HRUFPHCIBXNGIP-HOJAQTOUSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([N@H+](CCC2CC2)CC2CC2)CC1)[NH+](C)C ZINC001323736536 1387438284 /nfs/dbraw/zinc/43/82/84/1387438284.db2.gz REAHUDNHUFRIOZ-HXUWFJFHSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCCC1)[NH+](C)C ZINC001089191933 1360240646 /nfs/dbraw/zinc/24/06/46/1360240646.db2.gz IJJUQGCAYXWGHF-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333628 1360347398 /nfs/dbraw/zinc/34/73/98/1360347398.db2.gz BMDNQPFJSGRHMR-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089429797 1360421961 /nfs/dbraw/zinc/42/19/61/1360421961.db2.gz FAAWNJUUPKUZNW-KRWDZBQOSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510338 1360481434 /nfs/dbraw/zinc/48/14/34/1360481434.db2.gz RIDPSHCJZUTBNT-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510336 1360481660 /nfs/dbraw/zinc/48/16/60/1360481660.db2.gz RIDPSHCJZUTBNT-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC1(C)C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+](CCC2CCCC2)C1 ZINC001089562549 1360510042 /nfs/dbraw/zinc/51/00/42/1360510042.db2.gz HOTSTITVIUJEPV-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC1CCC1 ZINC001089617114 1360537491 /nfs/dbraw/zinc/53/74/91/1360537491.db2.gz UNIVZSFFRZVJGO-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639271 1360553520 /nfs/dbraw/zinc/55/35/20/1360553520.db2.gz RZQLOXZIEAJQRQ-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656566 1360568632 /nfs/dbraw/zinc/56/86/32/1360568632.db2.gz JZNOATZSDYDMCC-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089663854 1360574066 /nfs/dbraw/zinc/57/40/66/1360574066.db2.gz AEHFCZFFQOGQRQ-KRWDZBQOSA-N 2 0 342.487 3.211 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCCC2CCC2)C1 ZINC001089732189 1360636196 /nfs/dbraw/zinc/63/61/96/1360636196.db2.gz OPNKANUVXAIUTM-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001184551389 1387489614 /nfs/dbraw/zinc/48/96/14/1387489614.db2.gz MLFNGLOKUWACPS-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091207075 1361007536 /nfs/dbraw/zinc/00/75/36/1361007536.db2.gz NMJSCWWDPRYSLC-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092658329 1361434174 /nfs/dbraw/zinc/43/41/74/1361434174.db2.gz PNMPMHQLHIXZAW-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001184711133 1387515946 /nfs/dbraw/zinc/51/59/46/1387515946.db2.gz BPCUOLKSMZTJRG-HKUYNNGSSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001184711134 1387516300 /nfs/dbraw/zinc/51/63/00/1387516300.db2.gz BPCUOLKSMZTJRG-IEBWSBKVSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@H]2[N@@H+](C(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093373057 1361582470 /nfs/dbraw/zinc/58/24/70/1361582470.db2.gz IQPCEOZRONVGDI-RBUKOAKNSA-N 2 0 349.563 3.074 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@H]2[N@@H+](C(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093378020 1361588692 /nfs/dbraw/zinc/58/86/92/1361588692.db2.gz IQPCEOZRONVGDI-RTBURBONSA-N 2 0 349.563 3.074 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001094380073 1361780152 /nfs/dbraw/zinc/78/01/52/1361780152.db2.gz LGLYRASIWPOZMD-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001094419944 1361794179 /nfs/dbraw/zinc/79/41/79/1361794179.db2.gz KGSPGEYQJMQNPA-NEYJZJCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470691 1361817844 /nfs/dbraw/zinc/81/78/44/1361817844.db2.gz RHRHUMRLXDBTMZ-UYAOXDASSA-N 2 0 340.471 3.109 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184823084 1387545183 /nfs/dbraw/zinc/54/51/83/1387545183.db2.gz XIVHLLYCOVDMHA-IAGOWNOFSA-N 2 0 342.487 3.212 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184822935 1387545254 /nfs/dbraw/zinc/54/52/54/1387545254.db2.gz XCHHHLHVZCGFKF-IAGOWNOFSA-N 2 0 342.487 3.068 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415017 1362133094 /nfs/dbraw/zinc/13/30/94/1362133094.db2.gz ICLXOJONDCANJF-SQNIBIBYSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912303 1362285070 /nfs/dbraw/zinc/28/50/70/1362285070.db2.gz QWPYMNQZSDQTSI-FYQPLNBISA-N 2 0 347.547 3.161 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)CC[N@@H+]1C ZINC001097721689 1363108697 /nfs/dbraw/zinc/10/86/97/1363108697.db2.gz TWFQPSJGGVFQGW-FLNBYBTLSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001097971926 1363184476 /nfs/dbraw/zinc/18/44/76/1363184476.db2.gz LEMHTVQZKOLNCX-MANSERQUSA-N 2 0 335.536 3.019 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001097972409 1363184886 /nfs/dbraw/zinc/18/48/86/1363184886.db2.gz XCEVGJGIXNGMDY-NBYUQASBSA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001098463960 1363332891 /nfs/dbraw/zinc/33/28/91/1363332891.db2.gz JBSLFWBFDDJSAV-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098822025 1363482683 /nfs/dbraw/zinc/48/26/83/1363482683.db2.gz VUTXNWVEGJSLCH-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837439 1363487468 /nfs/dbraw/zinc/48/74/68/1363487468.db2.gz PTLOPGRSFSCKOQ-WFXMLNOXSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130296 1363642429 /nfs/dbraw/zinc/64/24/29/1363642429.db2.gz KFEXQKBDVFEJJH-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130588 1363642543 /nfs/dbraw/zinc/64/25/43/1363642543.db2.gz PNDODULSECOXCU-IRXDYDNUSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234019 1363705872 /nfs/dbraw/zinc/70/58/72/1363705872.db2.gz GBTODHPGSHLPED-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240918 1363709522 /nfs/dbraw/zinc/70/95/22/1363709522.db2.gz VQJMJLBUOUWLDO-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099240516 1363709651 /nfs/dbraw/zinc/70/96/51/1363709651.db2.gz RYBBZDWCJJKHFM-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC ZINC001099269584 1363724446 /nfs/dbraw/zinc/72/44/46/1363724446.db2.gz AVHSBBOCBCGYKW-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099276734 1363727721 /nfs/dbraw/zinc/72/77/21/1363727721.db2.gz VYQBAOKBAOVVAX-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309249 1363742044 /nfs/dbraw/zinc/74/20/44/1363742044.db2.gz CAKNNNMVDPVFFC-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310429 1363742901 /nfs/dbraw/zinc/74/29/01/1363742901.db2.gz LXAOOJBYZFHXIT-SFHVURJKSA-N 2 0 337.552 3.291 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099311102 1363744943 /nfs/dbraw/zinc/74/49/43/1363744943.db2.gz XRBPONOGYXHHBH-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)[N@H+](CC2CC2)C1 ZINC001099373898 1363778045 /nfs/dbraw/zinc/77/80/45/1363778045.db2.gz ZATKQPGKWAUFOV-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099525049 1363832152 /nfs/dbraw/zinc/83/21/52/1363832152.db2.gz OLPZBSBQQRGGGW-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001100333124 1364082121 /nfs/dbraw/zinc/08/21/21/1364082121.db2.gz XFBDAIAIEJAVCU-JLAWEPINSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100614418 1364188862 /nfs/dbraw/zinc/18/88/62/1364188862.db2.gz REKGPGNYDOZVBR-UHFFFAOYSA-N 2 0 335.492 3.020 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)[NH+](CC)CC ZINC001100669487 1364211255 /nfs/dbraw/zinc/21/12/55/1364211255.db2.gz ZGTMEOHRKXKWSH-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001100732053 1364239634 /nfs/dbraw/zinc/23/96/34/1364239634.db2.gz RKZHRVROKWFDFN-KKXNLOMOSA-N 2 0 349.563 3.316 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)CC1 ZINC001100785668 1364261527 /nfs/dbraw/zinc/26/15/27/1364261527.db2.gz VVNBQTMCGYZRCH-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100848172 1364289344 /nfs/dbraw/zinc/28/93/44/1364289344.db2.gz AGJDCYKYYHRILJ-ACBHZAAOSA-N 2 0 335.536 3.092 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848263 1364289962 /nfs/dbraw/zinc/28/99/62/1364289962.db2.gz FCRQEAUAVUTBFA-ACBHZAAOSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]C/C=C/Cl)C1 ZINC001100858471 1364295438 /nfs/dbraw/zinc/29/54/38/1364295438.db2.gz WIFCWTQIQUJDJI-SOFGYWHQSA-N 2 0 343.943 3.126 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100898547 1364320513 /nfs/dbraw/zinc/32/05/13/1364320513.db2.gz MOXRRTQHFRDIKZ-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001101025127 1364379625 /nfs/dbraw/zinc/37/96/25/1364379625.db2.gz WVIDLLDGWAQGBZ-AATRIKPKSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001101037335 1364383770 /nfs/dbraw/zinc/38/37/70/1364383770.db2.gz ISHFERCFYUMXCD-LMDPOFIKSA-N 2 0 345.531 3.189 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271739 1364493705 /nfs/dbraw/zinc/49/37/05/1364493705.db2.gz UTEYTAIQKUNYMC-SBHAEUEKSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001101287393 1364499500 /nfs/dbraw/zinc/49/95/00/1364499500.db2.gz JYPPOQLYDCGJGR-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001101336961 1364515343 /nfs/dbraw/zinc/51/53/43/1364515343.db2.gz WVXIWCLCIDVAMM-ZVDOUQERSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101381361 1364538335 /nfs/dbraw/zinc/53/83/35/1364538335.db2.gz NMQQNNTWTGJETB-SBHAEUEKSA-N 2 0 349.563 3.220 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441212 1364565683 /nfs/dbraw/zinc/56/56/83/1364565683.db2.gz NWOKHZLSDHIENT-RXDZQLDNSA-N 2 0 349.563 3.245 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CCC2)CC1 ZINC001101574100 1364628502 /nfs/dbraw/zinc/62/85/02/1364628502.db2.gz QZVHXSHSRRWRNI-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001101580103 1364633198 /nfs/dbraw/zinc/63/31/98/1364633198.db2.gz JIEZWMYOYBCTNQ-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045926 1364821670 /nfs/dbraw/zinc/82/16/70/1364821670.db2.gz CNDJTQMIQZLVKO-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051789 1364823255 /nfs/dbraw/zinc/82/32/55/1364823255.db2.gz MTUNCUXKJQXACZ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102190130 1364923898 /nfs/dbraw/zinc/92/38/98/1364923898.db2.gz SGKYFPJZDKKFAO-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601751 1365131510 /nfs/dbraw/zinc/13/15/10/1365131510.db2.gz OPGONWGMVCGJEM-GUDVDZBRSA-N 2 0 345.531 3.080 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599082 1365131562 /nfs/dbraw/zinc/13/15/62/1365131562.db2.gz NYFVBBNOYUADMA-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001324669629 1387726565 /nfs/dbraw/zinc/72/65/65/1387726565.db2.gz PREJVRSTAKHNER-PXNSSMCTSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103082353 1365369723 /nfs/dbraw/zinc/36/97/23/1365369723.db2.gz LPGLSJLQTHJEAO-AQNXPRMDSA-N 2 0 349.563 3.005 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111821 1365387402 /nfs/dbraw/zinc/38/74/02/1365387402.db2.gz PVMDXPTZXMUUGT-QRVBRYPASA-N 2 0 339.568 3.083 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001185525640 1387739219 /nfs/dbraw/zinc/73/92/19/1387739219.db2.gz DILAGJSDMMJTHS-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192203 1365428400 /nfs/dbraw/zinc/42/84/00/1365428400.db2.gz GAHIKFALZLKSNO-LZLYRXPVSA-N 2 0 342.487 3.068 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103550537 1365629494 /nfs/dbraw/zinc/62/94/94/1365629494.db2.gz VQPPSYINXFAYCO-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001185600308 1387759026 /nfs/dbraw/zinc/75/90/26/1387759026.db2.gz PEQDXALYAKWXAH-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104289514 1365977029 /nfs/dbraw/zinc/97/70/29/1365977029.db2.gz LHMAXJMNHBMIFF-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104355355 1365984129 /nfs/dbraw/zinc/98/41/29/1365984129.db2.gz YRLGMGDNPGCZAE-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001185731334 1387785891 /nfs/dbraw/zinc/78/58/91/1387785891.db2.gz RQSADOWFSJTDSE-IEBWSBKVSA-N 2 0 345.531 3.224 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104895958 1366213692 /nfs/dbraw/zinc/21/36/92/1366213692.db2.gz IDHSIYHZTFXQOU-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105517974 1366505337 /nfs/dbraw/zinc/50/53/37/1366505337.db2.gz NTYCPRDSVWVPCA-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539429 1366518961 /nfs/dbraw/zinc/51/89/61/1366518961.db2.gz FZMDYLPIUFSQDH-GUDVDZBRSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539818 1366518980 /nfs/dbraw/zinc/51/89/80/1366518980.db2.gz QHXIGDDKCKDTJO-QRVBRYPASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CC)CCC2)C1 ZINC001105556950 1366529710 /nfs/dbraw/zinc/52/97/10/1366529710.db2.gz TUTHJWDSHNLIGD-OALUTQOASA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576611 1366541013 /nfs/dbraw/zinc/54/10/13/1366541013.db2.gz JDQVEICJGURWMT-RBUKOAKNSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)CCC1 ZINC001105578991 1366542576 /nfs/dbraw/zinc/54/25/76/1366542576.db2.gz IYPAFRVXIIRJDV-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106120064 1366612926 /nfs/dbraw/zinc/61/29/26/1366612926.db2.gz NOUYQFXFRSMYBL-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106274729 1366640547 /nfs/dbraw/zinc/64/05/47/1366640547.db2.gz RLDCYTGFLZUVMA-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660435 1366768006 /nfs/dbraw/zinc/76/80/06/1366768006.db2.gz MWTHFTRYTZTEEI-RPSDLQHZSA-N 2 0 337.552 3.147 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C)c1ccccc1 ZINC001106778173 1366795251 /nfs/dbraw/zinc/79/52/51/1366795251.db2.gz CHTJQQPTHIVWSL-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106840167 1366813449 /nfs/dbraw/zinc/81/34/49/1366813449.db2.gz BIMASOPBRRJBAW-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107071043 1366870148 /nfs/dbraw/zinc/87/01/48/1366870148.db2.gz CGLJAZVCUAKTRN-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001189479085 1367033267 /nfs/dbraw/zinc/03/32/67/1367033267.db2.gz XYRJOWDIXAFEPB-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2)[NH+](CC)CC ZINC001107543956 1367034729 /nfs/dbraw/zinc/03/47/29/1367034729.db2.gz FVNKBUFWCIBFOH-SFHLNBCPSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)(C)C1)CC2)[NH+](C)C ZINC001107554875 1367040726 /nfs/dbraw/zinc/04/07/26/1367040726.db2.gz NQBSMAFXAMEZAM-WAOWUJCRSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107583272 1367057590 /nfs/dbraw/zinc/05/75/90/1367057590.db2.gz UDQCKMYPGUVGAJ-AUGFPLSNSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001107646430 1367090656 /nfs/dbraw/zinc/09/06/56/1367090656.db2.gz ITYRPMKLAYSSLX-SFHLNBCPSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109399516 1367104259 /nfs/dbraw/zinc/10/42/59/1367104259.db2.gz MRHPNRFZSDYUPI-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001189871796 1367121752 /nfs/dbraw/zinc/12/17/52/1367121752.db2.gz RCBOXGRGTSHIJB-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001109447336 1367127279 /nfs/dbraw/zinc/12/72/79/1367127279.db2.gz HVFNQDVPONLYIQ-HCXYKTFWSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489471 1367155069 /nfs/dbraw/zinc/15/50/69/1367155069.db2.gz YWTZEBKDGCNHDY-NEWSRXKRSA-N 2 0 340.471 3.106 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109640317 1367258328 /nfs/dbraw/zinc/25/83/28/1367258328.db2.gz BAJSTVJTNCFPIF-OYSTVDSJSA-N 2 0 335.536 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190483246 1367274438 /nfs/dbraw/zinc/27/44/38/1367274438.db2.gz QJLAWODXNZAGCI-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798760 1367329189 /nfs/dbraw/zinc/32/91/89/1367329189.db2.gz QWWKQWKTXBENIS-LMCOJAPRSA-N 2 0 349.563 3.122 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743216 1367341351 /nfs/dbraw/zinc/34/13/51/1367341351.db2.gz IPAGLQUKLACJBK-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860229 1367363636 /nfs/dbraw/zinc/36/36/36/1367363636.db2.gz RDDVVULRSWWCEH-UEYHGWDDSA-N 2 0 349.563 3.431 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001190997116 1367398116 /nfs/dbraw/zinc/39/81/16/1367398116.db2.gz QZSWHINDFPPEAD-FUHWJXTLSA-N 2 0 331.504 3.011 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918650 1367403531 /nfs/dbraw/zinc/40/35/31/1367403531.db2.gz SYNHFVSRVNKDAD-ZOYAEOFMSA-N 2 0 347.547 3.185 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082178 1367420794 /nfs/dbraw/zinc/42/07/94/1367420794.db2.gz VFOOIQWJZVUBCB-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC(C)C ZINC001110017555 1367459879 /nfs/dbraw/zinc/45/98/79/1367459879.db2.gz BTDDESISKHJWNP-YRXWBPOGSA-N 2 0 337.552 3.122 20 0 EGADRP CC1CC(C[N@H+](C)[C@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001191542314 1367524478 /nfs/dbraw/zinc/52/44/78/1367524478.db2.gz GNCKUVNNMKMXQK-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001108696950 1367539832 /nfs/dbraw/zinc/53/98/32/1367539832.db2.gz NJYMZVIWMWVGDF-XIRDDKMYSA-N 2 0 349.544 3.193 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108784323 1367594835 /nfs/dbraw/zinc/59/48/35/1367594835.db2.gz PTAVDTFGPATFGS-ZCNNSNEGSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108827722 1367623016 /nfs/dbraw/zinc/62/30/16/1367623016.db2.gz ADWOYGCNHGQNQK-KXTSPJLFSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001192171844 1367707292 /nfs/dbraw/zinc/70/72/92/1367707292.db2.gz WZJNPLXLRCFXPE-FXAWDEMLSA-N 2 0 345.531 3.355 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192657060 1367843562 /nfs/dbraw/zinc/84/35/62/1367843562.db2.gz XIXXQFDBLDQBEG-ZYHOBAKYSA-N 2 0 335.536 3.140 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671360 1367846670 /nfs/dbraw/zinc/84/66/70/1367846670.db2.gz IVIQZVPREIIVMN-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)cc1 ZINC001192849270 1367887680 /nfs/dbraw/zinc/88/76/80/1367887680.db2.gz ZXFUVFOMIKXGQE-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110683087 1367925341 /nfs/dbraw/zinc/92/53/41/1367925341.db2.gz PUHHOXUPPQTTIS-MANSERQUSA-N 2 0 335.536 3.163 20 0 EGADRP C[C@]1(CO)CCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193209333 1367966719 /nfs/dbraw/zinc/96/67/19/1367966719.db2.gz FLMSQQKUDHHKLA-OAQYLSRUSA-N 2 0 330.516 3.178 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001193289937 1367991144 /nfs/dbraw/zinc/99/11/44/1367991144.db2.gz BZKBMFMIRQFHJV-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424912 1368026993 /nfs/dbraw/zinc/02/69/93/1368026993.db2.gz RDYDCGMVACXXDD-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CC1CCC(C[N@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001193569299 1368063506 /nfs/dbraw/zinc/06/35/06/1368063506.db2.gz AJFCUZFKBJCQBC-ACBHZAAOSA-N 2 0 337.552 3.077 20 0 EGADRP CCCc1ccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001193643318 1368082550 /nfs/dbraw/zinc/08/25/50/1368082550.db2.gz SLXDIESPBQYBDC-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947640 1368114433 /nfs/dbraw/zinc/11/44/33/1368114433.db2.gz SCHVTNBJYOUOSE-XOSQRHGKSA-N 2 0 347.547 3.185 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1)[NH+](C)C ZINC001111037336 1368146319 /nfs/dbraw/zinc/14/63/19/1368146319.db2.gz XRIWTWSSOQBWTM-YRXWBPOGSA-N 2 0 347.547 3.019 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099440 1368157917 /nfs/dbraw/zinc/15/79/17/1368157917.db2.gz HEJRUIMBZWYDPJ-BNLAEDIXSA-N 2 0 347.547 3.186 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001111160276 1368170486 /nfs/dbraw/zinc/17/04/86/1368170486.db2.gz NMYIMPNEGXCPLZ-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C(=O)Oc1ccccc1 ZINC001194241222 1368215490 /nfs/dbraw/zinc/21/54/90/1368215490.db2.gz HAJUKNICSLKSCO-UHFFFAOYSA-N 2 0 335.492 3.171 20 0 EGADRP CC(C)c1ccccc1C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194292642 1368225040 /nfs/dbraw/zinc/22/50/40/1368225040.db2.gz BDYITSKBGNDGJL-IBGZPJMESA-N 2 0 345.531 3.183 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298561 1368257996 /nfs/dbraw/zinc/25/79/96/1368257996.db2.gz DJVGFYGJDCXQEU-MANSERQUSA-N 2 0 337.552 3.122 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1csc(C)c1 ZINC001111307227 1368261866 /nfs/dbraw/zinc/26/18/66/1368261866.db2.gz DNYYNAYCUCLKDG-KURKYZTESA-N 2 0 349.544 3.010 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)C1 ZINC001111871085 1368518419 /nfs/dbraw/zinc/51/84/19/1368518419.db2.gz YZOVKUWEYNGONM-LQWHRVPQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155662 1368558917 /nfs/dbraw/zinc/55/89/17/1368558917.db2.gz QFLLPOASEUTJBY-PXDRNWIDSA-N 2 0 349.563 3.245 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001111921726 1368559551 /nfs/dbraw/zinc/55/95/51/1368559551.db2.gz ZSNMVNOKBUKLOG-FPOVZHCZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196276217 1368582221 /nfs/dbraw/zinc/58/22/21/1368582221.db2.gz VMFYLSANVIJDHP-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCN([C@H](C)c2cccc(F)c2)CC1 ZINC001196340126 1368592733 /nfs/dbraw/zinc/59/27/33/1368592733.db2.gz FAUVHIQAZBPREC-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388959 1368604487 /nfs/dbraw/zinc/60/44/87/1368604487.db2.gz XJPBTSGHYGISAM-YJJPMGAVSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004282 1368607296 /nfs/dbraw/zinc/60/72/96/1368607296.db2.gz UHKVHYNNVBQDEF-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](CC2CCCC2)CC1)C(C)C ZINC001197478564 1368823105 /nfs/dbraw/zinc/82/31/05/1368823105.db2.gz YIBGCUHNSILSNU-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401457 1368825594 /nfs/dbraw/zinc/82/55/94/1368825594.db2.gz FUKDERLTICAGAW-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001197545844 1368836785 /nfs/dbraw/zinc/83/67/85/1368836785.db2.gz SGRULRYYQOIARC-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112432215 1368847925 /nfs/dbraw/zinc/84/79/25/1368847925.db2.gz YZXUPSXTAYZGIJ-YMAKWFKZSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197880337 1368919056 /nfs/dbraw/zinc/91/90/56/1368919056.db2.gz XILTXBFPTZGYAT-KRWDZBQOSA-N 2 0 349.494 3.153 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001197913964 1368923816 /nfs/dbraw/zinc/92/38/16/1368923816.db2.gz IRGJUNALGSMLCT-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001325416317 1387968550 /nfs/dbraw/zinc/96/85/50/1387968550.db2.gz LHFXNABZPLUCJW-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)N(C(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1)C(C)C ZINC001198008290 1368940916 /nfs/dbraw/zinc/94/09/16/1368940916.db2.gz VPNYIAPBRBNUCO-UHFFFAOYSA-N 2 0 333.520 3.329 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH+]2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001198283287 1368997737 /nfs/dbraw/zinc/99/77/37/1368997737.db2.gz SPLRCLSIRFXWJF-IBGZPJMESA-N 2 0 345.531 3.239 20 0 EGADRP CCC/C=C/CC[NH+]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966164 1369113640 /nfs/dbraw/zinc/11/36/40/1369113640.db2.gz UPCOJOJGOORZBX-OVKVCFKUSA-N 2 0 335.536 3.140 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001186605734 1387985473 /nfs/dbraw/zinc/98/54/73/1387985473.db2.gz SMWVFEPUOMBFLR-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC1 ZINC001200345611 1369351584 /nfs/dbraw/zinc/35/15/84/1369351584.db2.gz INKQSDAZCGBJMJ-CYBMUJFWSA-N 2 0 342.314 3.252 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577605 1369392784 /nfs/dbraw/zinc/39/27/84/1369392784.db2.gz BGWHBLMCQRCQSV-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001200644985 1369404763 /nfs/dbraw/zinc/40/47/63/1369404763.db2.gz WASBYCZRVSAIHH-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001200813753 1369432898 /nfs/dbraw/zinc/43/28/98/1369432898.db2.gz XUBWLTYKFGYEPB-IRXDYDNUSA-N 2 0 328.460 3.048 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001200893539 1369444736 /nfs/dbraw/zinc/44/47/36/1369444736.db2.gz DUYDCQVHRGNIBB-OVKVCFKUSA-N 2 0 335.536 3.188 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044173 1369470733 /nfs/dbraw/zinc/47/07/33/1369470733.db2.gz QVHJTZXFOWBPAY-LIXSYLKWSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CCCN(C(=O)CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001325575118 1388005052 /nfs/dbraw/zinc/00/50/52/1388005052.db2.gz VGSXRVGEDXOXAO-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201240532 1369502940 /nfs/dbraw/zinc/50/29/40/1369502940.db2.gz VNHRLWZILMQOQW-SNAWJCMRSA-N 2 0 347.547 3.189 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001201393229 1369535007 /nfs/dbraw/zinc/53/50/07/1369535007.db2.gz JLWYCNNJWRDXEX-UHFFFAOYSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113642899 1369540032 /nfs/dbraw/zinc/54/00/32/1369540032.db2.gz PBKKGARWTUKGQZ-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001201415538 1369540928 /nfs/dbraw/zinc/54/09/28/1369540928.db2.gz CSKCJLKDJSWRQC-OALUTQOASA-N 2 0 336.907 3.424 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001201528256 1369566503 /nfs/dbraw/zinc/56/65/03/1369566503.db2.gz NRRQWCRWJBTQJA-UHFFFAOYSA-N 2 0 345.531 3.432 20 0 EGADRP CCC[C@H](C)c1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)on1 ZINC001201649974 1369597300 /nfs/dbraw/zinc/59/73/00/1369597300.db2.gz WMPZLEJGGHCCLH-AWEZNQCLSA-N 2 0 329.448 3.469 20 0 EGADRP CCOc1cccc(F)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201673327 1369603713 /nfs/dbraw/zinc/60/37/13/1369603713.db2.gz UZOBUWZFSXBMGF-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201801742 1369626613 /nfs/dbraw/zinc/62/66/13/1369626613.db2.gz OMKVDMTWKJNXDZ-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cc2c(cc1CN[C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)OCO2 ZINC001201947038 1369649428 /nfs/dbraw/zinc/64/94/28/1369649428.db2.gz QJAGLRWATMQSMX-LSDHHAIUSA-N 2 0 346.471 3.167 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001202238645 1369720831 /nfs/dbraw/zinc/72/08/31/1369720831.db2.gz KULPSZHWXJWUPW-SFHVURJKSA-N 2 0 345.531 3.287 20 0 EGADRP C[N@H+](CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1)CC(C)(C)C ZINC001202538706 1369803069 /nfs/dbraw/zinc/80/30/69/1369803069.db2.gz ALOZPNPKGVMHAD-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202611018 1369823263 /nfs/dbraw/zinc/82/32/63/1369823263.db2.gz IHJFHPVRFVGOCC-SFTDATJTSA-N 2 0 328.500 3.257 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186995148 1388036460 /nfs/dbraw/zinc/03/64/60/1388036460.db2.gz UYEBNNSBQPRWOO-RTVDBWQISA-N 2 0 343.515 3.010 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114403118 1369933863 /nfs/dbraw/zinc/93/38/63/1369933863.db2.gz NGMWCCOFBOMEPQ-FEAWQNRXSA-N 2 0 347.547 3.042 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202990961 1369947846 /nfs/dbraw/zinc/94/78/46/1369947846.db2.gz GHBAXMCVSSYQQP-GOSISDBHSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203100878 1369982999 /nfs/dbraw/zinc/98/29/99/1369982999.db2.gz BCZZQYLDDPBMIJ-MSOLQXFVSA-N 2 0 347.547 3.234 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203102226 1369983508 /nfs/dbraw/zinc/98/35/08/1369983508.db2.gz HAJLWTXWEMGGPH-DSPBCKRPSA-N 2 0 335.536 3.090 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104682 1369984782 /nfs/dbraw/zinc/98/47/82/1369984782.db2.gz SOSLGHIGSJBPMF-AQRBRUGDSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203114043 1369987602 /nfs/dbraw/zinc/98/76/02/1369987602.db2.gz NNAWAKPTOVCAAZ-SJORKVTESA-N 2 0 347.547 3.068 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619272 1369998802 /nfs/dbraw/zinc/99/88/02/1369998802.db2.gz SXLHHKNZWCEYHT-BWTSREIZSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230645 1370033010 /nfs/dbraw/zinc/03/30/10/1370033010.db2.gz OVZKJVOEQQRFCJ-ROUUACIJSA-N 2 0 347.547 3.234 20 0 EGADRP CCc1nc(C)c(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001203246134 1370037845 /nfs/dbraw/zinc/03/78/45/1370037845.db2.gz CEXXABPSNVWWPW-GOSISDBHSA-N 2 0 326.488 3.234 20 0 EGADRP CCc1nc(C)c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)[nH]1 ZINC001203246146 1370037904 /nfs/dbraw/zinc/03/79/04/1370037904.db2.gz COAKRPPMFFSFJH-UHFFFAOYSA-N 2 0 338.499 3.303 20 0 EGADRP Cn1cccc1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001203259886 1370047140 /nfs/dbraw/zinc/04/71/40/1370047140.db2.gz LYMYOIBFGXOJII-LJQANCHMSA-N 2 0 327.472 3.495 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203287284 1370062454 /nfs/dbraw/zinc/06/24/54/1370062454.db2.gz ANWZODSMEZAOGA-DYESRHJHSA-N 2 0 345.531 3.090 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203325976 1370083035 /nfs/dbraw/zinc/08/30/35/1370083035.db2.gz REQWKIJQGTYMNN-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203523251 1370154371 /nfs/dbraw/zinc/15/43/71/1370154371.db2.gz POUCMGMPMINGGB-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203524619 1370155204 /nfs/dbraw/zinc/15/52/04/1370155204.db2.gz XUFMJUQETIPNBZ-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742892 1370244901 /nfs/dbraw/zinc/24/49/01/1370244901.db2.gz PYFQDCLDAVJVPW-RBUKOAKNSA-N 2 0 349.563 3.460 20 0 EGADRP c1cc(N2CCOCC2)c(Nc2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC001203796844 1370268747 /nfs/dbraw/zinc/26/87/47/1370268747.db2.gz ZHOFKCIEDWQXKN-UHFFFAOYSA-N 2 0 338.455 3.258 20 0 EGADRP CC[C@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1)c1ccc(F)cc1 ZINC001203932890 1370320622 /nfs/dbraw/zinc/32/06/22/1370320622.db2.gz QLTCIIPXJAQZEF-IBGZPJMESA-N 2 0 349.494 3.198 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc1 ZINC001204265003 1370426219 /nfs/dbraw/zinc/42/62/19/1370426219.db2.gz ZXMRMFDMJDFFNF-QUCCMNQESA-N 2 0 332.488 3.018 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001204451700 1370480001 /nfs/dbraw/zinc/48/00/01/1370480001.db2.gz PTAXEEABRAJODY-UHFFFAOYSA-N 2 0 338.499 3.407 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535367 1370532483 /nfs/dbraw/zinc/53/24/83/1370532483.db2.gz SRKOZEAUXAIUKW-ROUUACIJSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540514 1370537291 /nfs/dbraw/zinc/53/72/91/1370537291.db2.gz PAYWGQMAORBOJQ-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544814 1370541766 /nfs/dbraw/zinc/54/17/66/1370541766.db2.gz CHBBGAAUYAUSCG-HMTUNPETSA-N 2 0 349.563 3.482 20 0 EGADRP Brc1cscc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735522 1370559537 /nfs/dbraw/zinc/55/95/37/1370559537.db2.gz WTLQJFOEVUFPLT-UHFFFAOYSA-N 2 0 329.307 3.476 20 0 EGADRP COC(=O)c1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204742774 1370561851 /nfs/dbraw/zinc/56/18/51/1370561851.db2.gz UFNQKUOEZRYNRQ-UHFFFAOYSA-N 2 0 336.863 3.092 20 0 EGADRP Clc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741910 1370562094 /nfs/dbraw/zinc/56/20/94/1370562094.db2.gz FKDQCKZUMRTHOD-UHFFFAOYSA-N 2 0 344.890 3.491 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115571571 1370573964 /nfs/dbraw/zinc/57/39/64/1370573964.db2.gz FKILJVLROGRKKK-IBGZPJMESA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571794 1370573989 /nfs/dbraw/zinc/57/39/89/1370573989.db2.gz PDZZAIBVZRUNFO-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1)[NH+](C)C ZINC001115582007 1370584104 /nfs/dbraw/zinc/58/41/04/1370584104.db2.gz GIZBBRDKJIKQFN-IBGZPJMESA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001115591781 1370592424 /nfs/dbraw/zinc/59/24/24/1370592424.db2.gz DMQSXNBLJWPDMI-ZWKOTPCHSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H](F)C[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617234 1370614301 /nfs/dbraw/zinc/61/43/01/1370614301.db2.gz KORWGEVULFPYEN-MRXNPFEDSA-N 2 0 346.450 3.105 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001115648174 1370636847 /nfs/dbraw/zinc/63/68/47/1370636847.db2.gz DKUBFYZCTSVOCI-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001205059707 1370639861 /nfs/dbraw/zinc/63/98/61/1370639861.db2.gz BPSCVUFBGKUQFP-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP COC(=O)c1ccc(-c2cccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC001205150699 1370663505 /nfs/dbraw/zinc/66/35/05/1370663505.db2.gz HXUGQDZDBSOLRH-MGPUTAFESA-N 2 0 338.451 3.167 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC=C(C)C)CCCCC2)C1 ZINC001115688109 1370670826 /nfs/dbraw/zinc/67/08/26/1370670826.db2.gz LNTDVOXYGUZUIR-IBGZPJMESA-N 2 0 349.563 3.483 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115697306 1370678573 /nfs/dbraw/zinc/67/85/73/1370678573.db2.gz BPZYFFOTHWOFCN-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115697231 1370678595 /nfs/dbraw/zinc/67/85/95/1370678595.db2.gz AFEGQIRISQPPPY-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]C/C=C\c2ccccc2)CCCCC1 ZINC001115708088 1370687753 /nfs/dbraw/zinc/68/77/53/1370687753.db2.gz MRMNWTLJRBYKDA-XFXZXTDPSA-N 2 0 343.515 3.060 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242964 1370692900 /nfs/dbraw/zinc/69/29/00/1370692900.db2.gz XIXIIFSIIMHUBC-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242400 1370693069 /nfs/dbraw/zinc/69/30/69/1370693069.db2.gz OGJZYSINQAXTHR-YJJPMGAVSA-N 2 0 349.563 3.434 20 0 EGADRP Cc1ccc(-c2ccc(OCCC[NH+](C)C)nc2)c(C[NH+](C)C)c1 ZINC001205255767 1370696793 /nfs/dbraw/zinc/69/67/93/1370696793.db2.gz NXFBZJJKOSMUFM-UHFFFAOYSA-N 2 0 327.472 3.449 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285657 1370706983 /nfs/dbraw/zinc/70/69/83/1370706983.db2.gz ZXYHXRXZWUDUTA-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CCCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC001205295641 1370710435 /nfs/dbraw/zinc/71/04/35/1370710435.db2.gz AXGHOHVVFHDRFS-DZGCQCFKSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115730876 1370713941 /nfs/dbraw/zinc/71/39/41/1370713941.db2.gz SVKXLVGCENBAMA-MJGOQNOKSA-N 2 0 347.547 3.093 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001205303841 1370714407 /nfs/dbraw/zinc/71/44/07/1370714407.db2.gz LLJMATNRGPCIDA-GOEBONIOSA-N 2 0 328.456 3.274 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C[C@H]1C[NH3+] ZINC001205303974 1370714418 /nfs/dbraw/zinc/71/44/18/1370714418.db2.gz MAZNXFOTWHLVCH-WCQYABFASA-N 2 0 336.277 3.347 20 0 EGADRP CC(C)CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001187302468 1388091039 /nfs/dbraw/zinc/09/10/39/1388091039.db2.gz RNSYGCFLLFAUHW-WGSAOQKQSA-N 2 0 331.504 3.116 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115765898 1370750280 /nfs/dbraw/zinc/75/02/80/1370750280.db2.gz KYCGXIUISVVCFP-BDUNBXCCSA-N 2 0 346.519 3.353 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768922 1370753617 /nfs/dbraw/zinc/75/36/17/1370753617.db2.gz NHLPATATVYXDBN-RBUKOAKNSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115778826 1370762553 /nfs/dbraw/zinc/76/25/53/1370762553.db2.gz UERXIIGXNGOAQS-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205526140 1370781745 /nfs/dbraw/zinc/78/17/45/1370781745.db2.gz GPDFEWQDVPQFNB-VOFKWLDRSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205545641 1370786585 /nfs/dbraw/zinc/78/65/85/1370786585.db2.gz KZSSKUKOWACVMO-PMACEKPBSA-N 3 0 333.495 3.052 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001115805682 1370789014 /nfs/dbraw/zinc/78/90/14/1370789014.db2.gz BFIRVQVAOQTIMP-BQYQJAHWSA-N 2 0 337.552 3.483 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205570016 1370794449 /nfs/dbraw/zinc/79/44/49/1370794449.db2.gz COFYWWORYCQZGD-AWEZNQCLSA-N 2 0 338.320 3.377 20 0 EGADRP Cc1cccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1Br ZINC001205570507 1370795454 /nfs/dbraw/zinc/79/54/54/1370795454.db2.gz KSNFHHVLIOFSIF-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001205578613 1370798963 /nfs/dbraw/zinc/79/89/63/1370798963.db2.gz GYRMSYPASNXGSB-QGZVFWFLSA-N 2 0 338.377 3.008 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Br ZINC001205592548 1370803406 /nfs/dbraw/zinc/80/34/06/1370803406.db2.gz VYSMHIAVPJMNFI-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599190 1370805692 /nfs/dbraw/zinc/80/56/92/1370805692.db2.gz NKJZCMSVIVEATD-IBGZPJMESA-N 2 0 327.472 3.243 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205602241 1370806406 /nfs/dbraw/zinc/80/64/06/1370806406.db2.gz HVVMSLPBXNLJCZ-LPHOPBHVSA-N 2 0 332.488 3.103 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205617761 1370812463 /nfs/dbraw/zinc/81/24/63/1370812463.db2.gz NEKLTTRBMSPJLH-LSDHHAIUSA-N 2 0 343.471 3.151 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(F)cccc2Br)CC[C@H]1C[NH3+] ZINC001205617924 1370813225 /nfs/dbraw/zinc/81/32/25/1370813225.db2.gz PGNSKKDUINDFFQ-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OC3CCOCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205626345 1370816485 /nfs/dbraw/zinc/81/64/85/1370816485.db2.gz GCHFYGQFROKOPK-FUHWJXTLSA-N 2 0 332.488 3.051 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001205651733 1370828435 /nfs/dbraw/zinc/82/84/35/1370828435.db2.gz ISXZKGSXXNJTHA-CVEARBPZSA-N 2 0 331.504 3.478 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001205651734 1370828811 /nfs/dbraw/zinc/82/88/11/1370828811.db2.gz ISXZKGSXXNJTHA-HOTGVXAUSA-N 2 0 331.504 3.478 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751487 1370859279 /nfs/dbraw/zinc/85/92/79/1370859279.db2.gz FHAPJPMUAVDONT-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751988 1370860320 /nfs/dbraw/zinc/86/03/20/1370860320.db2.gz RXNQTDKSZZRZQW-HZQHCPKGSA-N 2 0 347.547 3.045 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(C)cs2)[C@@H](C)C1 ZINC001116294540 1370880589 /nfs/dbraw/zinc/88/05/89/1370880589.db2.gz KBYIAJJRCFOTLV-RDJZCZTQSA-N 2 0 339.549 3.111 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205860101 1370895225 /nfs/dbraw/zinc/89/52/25/1370895225.db2.gz BUGNSWLITPJATB-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205995850 1370932919 /nfs/dbraw/zinc/93/29/19/1370932919.db2.gz RCKKAOGDMZRWAC-YJBOKZPZSA-N 2 0 326.488 3.296 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(Br)ccc2F)CCC[C@H]1C[NH3+] ZINC001205994028 1370933009 /nfs/dbraw/zinc/93/30/09/1370933009.db2.gz ITVUVBRJPMGAOT-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)no2)CCC[C@H]1C[NH3+] ZINC001206012100 1370938269 /nfs/dbraw/zinc/93/82/69/1370938269.db2.gz ITYYOPVQWASEIV-WBVHZDCISA-N 2 0 329.444 3.060 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206012038 1370938465 /nfs/dbraw/zinc/93/84/65/1370938465.db2.gz IDOQGGNAIYOTRO-OLZOCXBDSA-N 2 0 346.393 3.401 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1OC(F)(F)F ZINC001206011497 1370938537 /nfs/dbraw/zinc/93/85/37/1370938537.db2.gz CVSJXKOKGROQST-GXTWGEPZSA-N 2 0 346.393 3.401 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1O ZINC001206021594 1370940090 /nfs/dbraw/zinc/94/00/90/1370940090.db2.gz AJRVUNDXJZVOPB-CHWSQXEVSA-N 2 0 341.293 3.270 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CCc4c3cccc4F)CC2)CC1 ZINC001116581830 1370940968 /nfs/dbraw/zinc/94/09/68/1370940968.db2.gz REYICCGHKRPSKU-HXUWFJFHSA-N 2 0 345.506 3.163 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2Br)CCC[C@@H]1C[NH3+] ZINC001206026846 1370942426 /nfs/dbraw/zinc/94/24/26/1370942426.db2.gz UJASRDSXGXPOCU-GHMZBOCLSA-N 2 0 346.700 3.304 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001206275253 1371009624 /nfs/dbraw/zinc/00/96/24/1371009624.db2.gz QOSLCDNEOFQXFP-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001206310880 1371018058 /nfs/dbraw/zinc/01/80/58/1371018058.db2.gz DVHNXLRKUWDOMI-HXUWFJFHSA-N 2 0 332.488 3.195 20 0 EGADRP Cc1cncc(Br)c1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206324448 1371022537 /nfs/dbraw/zinc/02/25/37/1371022537.db2.gz BQDJLNLEUYFWNK-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1Br ZINC001206326849 1371023627 /nfs/dbraw/zinc/02/36/27/1371023627.db2.gz PTKVUCHFTAQZOG-INIZCTEOSA-N 2 0 341.293 3.409 20 0 EGADRP Cn1nccc1C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC001206337060 1371026895 /nfs/dbraw/zinc/02/68/95/1371026895.db2.gz CNSFNXNTTYNEAF-UHFFFAOYSA-N 2 0 344.528 3.360 20 0 EGADRP Cn1nccc1CN1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001206338175 1371027099 /nfs/dbraw/zinc/02/70/99/1371027099.db2.gz XLNNGCONXPFHJP-ZYSHUDEJSA-N 2 0 344.528 3.214 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC001117714880 1371067502 /nfs/dbraw/zinc/06/75/02/1371067502.db2.gz PGDFKDASJQOBSL-YSIASYRMSA-N 2 0 343.515 3.030 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC001117749017 1371074075 /nfs/dbraw/zinc/07/40/75/1371074075.db2.gz ULOLRSAFPAFZNV-IAGOWNOFSA-N 2 0 345.487 3.416 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547544 1371090244 /nfs/dbraw/zinc/09/02/44/1371090244.db2.gz HVTQNJOMSVNVPS-QZPVUJMKSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547576 1371090362 /nfs/dbraw/zinc/09/03/62/1371090362.db2.gz JKXZXDNWZYDMJV-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)C1 ZINC001206563737 1371094080 /nfs/dbraw/zinc/09/40/80/1371094080.db2.gz IECOMSBZQRMIGT-SFHVURJKSA-N 2 0 332.879 3.477 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001206624639 1371112589 /nfs/dbraw/zinc/11/25/89/1371112589.db2.gz XYDORJNGNOVXAJ-LBPRGKRZSA-N 2 0 336.277 3.491 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206648643 1371119447 /nfs/dbraw/zinc/11/94/47/1371119447.db2.gz NYTIFBHCITWCMM-MRXNPFEDSA-N 2 0 325.456 3.318 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2sc(N3CCCCC3)nc2C)CC1 ZINC001118179608 1371142298 /nfs/dbraw/zinc/14/22/98/1371142298.db2.gz ZTQPSYGDBQZRLJ-UHFFFAOYSA-N 2 0 336.549 3.263 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC001118197092 1371144218 /nfs/dbraw/zinc/14/42/18/1371144218.db2.gz HZZYCGTYVOJRQN-GOSISDBHSA-N 2 0 337.552 3.397 20 0 EGADRP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263135 1371153585 /nfs/dbraw/zinc/15/35/85/1371153585.db2.gz AYEOGCFSZZAMAK-IBGZPJMESA-N 2 0 343.515 3.062 20 0 EGADRP [NH3+]Cc1cc(NC(=O)[C@@H]([NH3+])C2CCCCC2)cc(C(F)(F)F)c1 ZINC001118266551 1371154289 /nfs/dbraw/zinc/15/42/89/1371154289.db2.gz SIBJEPFGGYCPBC-AWEZNQCLSA-N 2 0 329.366 3.010 20 0 EGADRP CCOc1ncc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1C ZINC001206755769 1371154944 /nfs/dbraw/zinc/15/49/44/1371154944.db2.gz OYAAQVKZUVOFIG-UHFFFAOYSA-N 2 0 339.483 3.281 20 0 EGADRP CCC[NH2+]CC1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001206869031 1371197733 /nfs/dbraw/zinc/19/77/33/1371197733.db2.gz OMQIDOKXAQIYJO-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP Cc1ccc(C[NH2+]CC2CCN(C(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001206884240 1371205342 /nfs/dbraw/zinc/20/53/42/1371205342.db2.gz CNSGNTHHAAQMRO-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC001206884571 1371206465 /nfs/dbraw/zinc/20/64/65/1371206465.db2.gz UZLVYQGVSCTJEM-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206935778 1371232334 /nfs/dbraw/zinc/23/23/34/1371232334.db2.gz VKUVIEHDDODUEE-ARJAWSKDSA-N 2 0 349.563 3.437 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950197 1371241889 /nfs/dbraw/zinc/24/18/89/1371241889.db2.gz FRNRMKIZKWWEMW-ARJAWSKDSA-N 2 0 335.536 3.047 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952523 1371243996 /nfs/dbraw/zinc/24/39/96/1371243996.db2.gz SGMKCJICCLAQOE-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cnc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001207082133 1371288468 /nfs/dbraw/zinc/28/84/68/1371288468.db2.gz GIYZQUJGPQOUIL-WOJBJXKFSA-N 2 0 336.483 3.129 20 0 EGADRP CN(C)C(=O)C1CC[NH+](C2CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC001207260715 1371344009 /nfs/dbraw/zinc/34/40/09/1371344009.db2.gz WXEBHYVBSJPBFX-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001207281038 1371349093 /nfs/dbraw/zinc/34/90/93/1371349093.db2.gz ZAFURXXXQRAIKR-XLIONFOSSA-N 2 0 331.504 3.150 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001207288276 1371351445 /nfs/dbraw/zinc/35/14/45/1371351445.db2.gz MMYXBCULNVJDDW-UHFFFAOYSA-N 2 0 335.511 3.310 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)CC(C)(C)C[NH+](C)C ZINC001207288852 1371351746 /nfs/dbraw/zinc/35/17/46/1371351746.db2.gz VZCITUIKGIZYGW-ICSRJNTNSA-N 2 0 331.548 3.417 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001207288051 1371351941 /nfs/dbraw/zinc/35/19/41/1371351941.db2.gz ZLLHNCYFYYKALW-WIYYLYMNSA-N 2 0 330.516 3.382 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001207399190 1371383920 /nfs/dbraw/zinc/38/39/20/1371383920.db2.gz HBSMZJDMAKHQDY-QAQDUYKDSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+]1CCC(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)CC1 ZINC001207399203 1371384075 /nfs/dbraw/zinc/38/40/75/1371384075.db2.gz HTOKQAUWPFQMLJ-SQNIBIBYSA-N 2 0 336.520 3.303 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)CC1 ZINC001207397486 1371384116 /nfs/dbraw/zinc/38/41/16/1371384116.db2.gz MJUUTRMFXQWKHM-NRFANRHFSA-N 2 0 345.506 3.208 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](N(Cc3ccccc3)C3CC3)C2)CC1 ZINC001207399144 1371384371 /nfs/dbraw/zinc/38/43/71/1371384371.db2.gz CYNLSORLAJIJSH-QFIPXVFZSA-N 2 0 341.543 3.457 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207463340 1371402740 /nfs/dbraw/zinc/40/27/40/1371402740.db2.gz BWYUQJMCDAJIAG-IBGZPJMESA-N 2 0 343.515 3.185 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479949 1371408740 /nfs/dbraw/zinc/40/87/40/1371408740.db2.gz QKBRXGPAKWYMLR-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCC4CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001207482521 1371410185 /nfs/dbraw/zinc/41/01/85/1371410185.db2.gz MWQWXPMLJSQYDR-SZPZYZBQSA-N 3 0 341.543 3.091 20 0 EGADRP COC(=O)c1cccc(C2CC[NH+](CCC3CC[NH+](C)CC3)CC2)c1 ZINC001207487825 1371410464 /nfs/dbraw/zinc/41/04/64/1371410464.db2.gz TYSIPTHUZMROEK-UHFFFAOYSA-N 2 0 344.499 3.385 20 0 EGADRP COc1ccccc1[C@@H](O)C[N@H+](CCC1CC[NH+](C)CC1)C(C)C ZINC001207486863 1371410903 /nfs/dbraw/zinc/41/09/03/1371410903.db2.gz OHAVTEDDRWZNCP-IBGZPJMESA-N 2 0 334.504 3.171 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207486469 1371410960 /nfs/dbraw/zinc/41/09/60/1371410960.db2.gz JBTVWZXCRUBRMB-OAQYLSRUSA-N 3 0 329.532 3.172 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001207486777 1371411283 /nfs/dbraw/zinc/41/12/83/1371411283.db2.gz CPNCHGDORMETOH-WOJBJXKFSA-N 2 0 344.499 3.345 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001207486917 1371411293 /nfs/dbraw/zinc/41/12/93/1371411293.db2.gz OWZHACIRFVCGGX-JOCHJYFZSA-N 3 0 341.543 3.316 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541101 1371429987 /nfs/dbraw/zinc/42/99/87/1371429987.db2.gz SQKXYJPCGQYAAP-CEXWTWQISA-N 2 0 337.552 3.122 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541200 1371430729 /nfs/dbraw/zinc/43/07/29/1371430729.db2.gz YBWFCDRIPATWIL-IEVDXQOXSA-N 2 0 349.563 3.432 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCCCC1 ZINC001119993618 1371446174 /nfs/dbraw/zinc/44/61/74/1371446174.db2.gz ORUKQBYPBJGGCG-IBGZPJMESA-N 2 0 345.531 3.498 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617354 1371453062 /nfs/dbraw/zinc/45/30/62/1371453062.db2.gz RNUJAYFSMCANNP-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616818 1371453407 /nfs/dbraw/zinc/45/34/07/1371453407.db2.gz FXUXDQPMMUMDAZ-ZRAQOITDSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120189685 1371503433 /nfs/dbraw/zinc/50/34/33/1371503433.db2.gz ODHPBEJBGVMCBN-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207795955 1371505999 /nfs/dbraw/zinc/50/59/99/1371505999.db2.gz PQOCBLYZTOIVPT-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H](C)c1ccccc1)C2 ZINC001207904323 1371532960 /nfs/dbraw/zinc/53/29/60/1371532960.db2.gz CPKCATFLABDOFA-NYVOZVTQSA-N 2 0 342.527 3.470 20 0 EGADRP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4(C)CCOCC4)C[C@H]3C2)cc1 ZINC001207967400 1371554050 /nfs/dbraw/zinc/55/40/50/1371554050.db2.gz OMETZGJMENCCDD-BGYRXZFFSA-N 2 0 328.500 3.175 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391846 1371559577 /nfs/dbraw/zinc/55/95/77/1371559577.db2.gz HWXMVRBSWZHZHW-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001120432294 1371574869 /nfs/dbraw/zinc/57/48/69/1371574869.db2.gz ZPQUYPSEKNJZBV-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431721 1371574918 /nfs/dbraw/zinc/57/49/18/1371574918.db2.gz WAPRNQUCJTWHKJ-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001120432221 1371575742 /nfs/dbraw/zinc/57/57/42/1371575742.db2.gz ZATVEEKRJCOZIE-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC001120440832 1371578253 /nfs/dbraw/zinc/57/82/53/1371578253.db2.gz UDCYATMOQXWSMB-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120439991 1371578550 /nfs/dbraw/zinc/57/85/50/1371578550.db2.gz KOVWQJFXVLXCMU-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120449728 1371580898 /nfs/dbraw/zinc/58/08/98/1371580898.db2.gz PKHLJRKBHIHARL-UXHICEINSA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001120449697 1371581167 /nfs/dbraw/zinc/58/11/67/1371581167.db2.gz OZMXJCUVSPXGMO-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073410 1371588549 /nfs/dbraw/zinc/58/85/49/1371588549.db2.gz BGQFRDXQRWYTBU-DUFRMZEJSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2(C)CC[NH+](C)CC2)O1 ZINC001208105951 1371597020 /nfs/dbraw/zinc/59/70/20/1371597020.db2.gz AMLUUYCVJFAZTH-GUDVDZBRSA-N 2 0 338.536 3.013 20 0 EGADRP C[N@H+](CC1(C)CC[NH+](C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC001208106933 1371597201 /nfs/dbraw/zinc/59/72/01/1371597201.db2.gz HNSGEUAPMCWIES-UHFFFAOYSA-N 2 0 329.532 3.315 20 0 EGADRP C[NH+](C)CC1(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)CCCC1 ZINC001208187994 1371625372 /nfs/dbraw/zinc/62/53/72/1371625372.db2.gz DVVPPUGMPWMDNV-OALUTQOASA-N 2 0 327.516 3.177 20 0 EGADRP COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185764 1371628110 /nfs/dbraw/zinc/62/81/10/1371628110.db2.gz QBJPTAQIUGKKGB-ICSRJNTNSA-N 2 0 338.536 3.016 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208279304 1371696580 /nfs/dbraw/zinc/69/65/80/1371696580.db2.gz MXXCGMMAZIWATB-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001208453395 1371771800 /nfs/dbraw/zinc/77/18/00/1371771800.db2.gz GHTRXDFTGQXTGM-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575320 1371823751 /nfs/dbraw/zinc/82/37/51/1371823751.db2.gz NCZBVCODMNNXDM-QRQLOZEOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001208598967 1371834552 /nfs/dbraw/zinc/83/45/52/1371834552.db2.gz GTNFUZGUSXCEBD-UHFFFAOYSA-N 3 0 345.531 3.299 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001208602286 1371835856 /nfs/dbraw/zinc/83/58/56/1371835856.db2.gz AAMHLNUYLRWONQ-UHFFFAOYSA-N 2 0 326.484 3.339 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208611731 1371840023 /nfs/dbraw/zinc/84/00/23/1371840023.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 2 0 345.531 3.298 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](C[C@H]3COC4(CCCCC4)O3)CC2)CC1 ZINC001208641007 1371849717 /nfs/dbraw/zinc/84/97/17/1371849717.db2.gz WTFOJSLTROCCNE-IBGZPJMESA-N 2 0 336.520 3.116 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001208735547 1371878673 /nfs/dbraw/zinc/87/86/73/1371878673.db2.gz MDWSIQFGBFMBSP-WOJBJXKFSA-N 2 0 331.504 3.041 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](CCOCCOCc1ccccc1)CC2 ZINC001208751110 1371884603 /nfs/dbraw/zinc/88/46/03/1371884603.db2.gz WKKQXVIOASXQJM-UHFFFAOYSA-N 2 0 346.515 3.028 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001208758640 1371885538 /nfs/dbraw/zinc/88/55/38/1371885538.db2.gz MHTFIKFCGXKODN-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](CCC(=O)OC)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208795794 1371899629 /nfs/dbraw/zinc/89/96/29/1371899629.db2.gz GMARRRHUMVGLQO-AZUAARDMSA-N 2 0 346.515 3.420 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)CC1)C2)[NH+](C)C ZINC001121302061 1371929724 /nfs/dbraw/zinc/92/97/24/1371929724.db2.gz LXLRKYSIKASFGA-PRYZXDJCSA-N 2 0 349.563 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2 ZINC001121318278 1371934836 /nfs/dbraw/zinc/93/48/36/1371934836.db2.gz CELOATIUCQYCQE-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121347349 1371945175 /nfs/dbraw/zinc/94/51/75/1371945175.db2.gz HPKGWIFJGXKUJN-MBEFBZSESA-N 2 0 347.547 3.090 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208948226 1371959513 /nfs/dbraw/zinc/95/95/13/1371959513.db2.gz FRNMWZHTXYZJES-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@H](Oc4ccccn4)C3)C2)cc1 ZINC001208956414 1371962268 /nfs/dbraw/zinc/96/22/68/1371962268.db2.gz HYGZZNAHYCFVSB-PMACEKPBSA-N 2 0 337.467 3.057 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@H](Oc4ccccn4)C3)C2)cc1 ZINC001208956419 1371962608 /nfs/dbraw/zinc/96/26/08/1371962608.db2.gz HYGZZNAHYCFVSB-UXHICEINSA-N 2 0 337.467 3.057 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]C2CC3(CC(NC(=O)CC[NH+](C)C)C3)C2)C1 ZINC001121696281 1372049535 /nfs/dbraw/zinc/04/95/35/1372049535.db2.gz MWEMSNBDKBNNJU-IAAUGFHKSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209278846 1372056554 /nfs/dbraw/zinc/05/65/54/1372056554.db2.gz RSCJADMUSPSQBT-MJRGOJFPSA-N 2 0 347.503 3.282 20 0 EGADRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001209418074 1372100400 /nfs/dbraw/zinc/10/04/00/1372100400.db2.gz YADCTCCLUKKFKN-BRWVUGGUSA-N 2 0 334.529 3.459 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC001209448184 1372108247 /nfs/dbraw/zinc/10/82/47/1372108247.db2.gz XHWKCUGPXFUKHA-UHFFFAOYSA-N 2 0 333.564 3.162 20 0 EGADRP O=C1OC2(CCN(CCC[NH+]3CCCCC3)CC2)c2ccccc21 ZINC001209448531 1372108393 /nfs/dbraw/zinc/10/83/93/1372108393.db2.gz AVIHJLNKDALEBR-UHFFFAOYSA-N 2 0 328.456 3.024 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](CCN3CCC[NH+]3CCCCC3)C2)cc1 ZINC001209453714 1372110159 /nfs/dbraw/zinc/11/01/59/1372110159.db2.gz KNAWFMVTULEBIR-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC001121919517 1372122646 /nfs/dbraw/zinc/12/26/46/1372122646.db2.gz SLCDHWFNGSVBRU-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001209588812 1372144589 /nfs/dbraw/zinc/14/45/89/1372144589.db2.gz JQOMQKRYIYNUQQ-VQTJNVASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2F)C1)[NH+](CC)CC ZINC001209588299 1372144936 /nfs/dbraw/zinc/14/49/36/1372144936.db2.gz GCLUKGULROTANC-PKOBYXMFSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1ccccc1)C2 ZINC001122022867 1372155256 /nfs/dbraw/zinc/15/52/56/1372155256.db2.gz MCQVTSPQXSBXEP-GICSWVMSSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122063804 1372166455 /nfs/dbraw/zinc/16/64/55/1372166455.db2.gz OEUZWLVGOLFBIB-SSBRDVDXSA-N 2 0 349.563 3.170 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c2cccnc21 ZINC001209748098 1372182565 /nfs/dbraw/zinc/18/25/65/1372182565.db2.gz BUTJTQMGVQGLED-GOSISDBHSA-N 2 0 326.488 3.414 20 0 EGADRP CN(C)c1ccccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001209775241 1372192603 /nfs/dbraw/zinc/19/26/03/1372192603.db2.gz SFLZZSRJDHLKRM-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001122197099 1372199091 /nfs/dbraw/zinc/19/90/91/1372199091.db2.gz BPFXTVVVMDHHCA-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122242622 1372210077 /nfs/dbraw/zinc/21/00/77/1372210077.db2.gz LYTWRBOXKMLSRF-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122247949 1372211375 /nfs/dbraw/zinc/21/13/75/1372211375.db2.gz AWADJZZJKCPWIE-FCOWATRHSA-N 2 0 347.547 3.090 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001209951147 1372239211 /nfs/dbraw/zinc/23/92/11/1372239211.db2.gz JASOQFXNDFKRDG-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1)c1ccc(F)cc1 ZINC001210219817 1372296777 /nfs/dbraw/zinc/29/67/77/1372296777.db2.gz UMGPNSBDMNSKGM-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP FC(F)(F)Oc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210266967 1372310635 /nfs/dbraw/zinc/31/06/35/1372310635.db2.gz VOJAZUCOUVSRSQ-UHFFFAOYSA-N 2 0 338.333 3.133 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210494535 1372366103 /nfs/dbraw/zinc/36/61/03/1372366103.db2.gz VWTJLHPJOODKHU-HXKWKUIBSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](CC)c2ccccc2)C[C@H]1C ZINC001210497177 1372366332 /nfs/dbraw/zinc/36/63/32/1372366332.db2.gz AUZRVGHFWCMXMP-RLLQIKCJSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210595229 1372386970 /nfs/dbraw/zinc/38/69/70/1372386970.db2.gz QVNICVTYMQQKBB-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC001210633422 1372396291 /nfs/dbraw/zinc/39/62/91/1372396291.db2.gz BSRIFHFANHZZLX-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001210643872 1372398882 /nfs/dbraw/zinc/39/88/82/1372398882.db2.gz LYRYVUCTGXVSOJ-UXHICEINSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001210644358 1372398912 /nfs/dbraw/zinc/39/89/12/1372398912.db2.gz OJDQMUNVUQOKAL-WOJBJXKFSA-N 2 0 343.515 3.226 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001210796757 1372428289 /nfs/dbraw/zinc/42/82/89/1372428289.db2.gz JMVYMFFLFYYKOY-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211233321 1372509209 /nfs/dbraw/zinc/50/92/09/1372509209.db2.gz BMEFODCLIKXXNJ-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211242024 1372509759 /nfs/dbraw/zinc/50/97/59/1372509759.db2.gz YAZRJVCNFDHDIE-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001211257932 1372513989 /nfs/dbraw/zinc/51/39/89/1372513989.db2.gz XLCDCFVCRDKZBY-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292278 1372522324 /nfs/dbraw/zinc/52/23/24/1372522324.db2.gz KYMXOVQKKUEKNB-LDBCMITESA-N 2 0 343.515 3.155 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211337623 1372534090 /nfs/dbraw/zinc/53/40/90/1372534090.db2.gz QJCAGLNUTITKEK-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211337410 1372534127 /nfs/dbraw/zinc/53/41/27/1372534127.db2.gz OUROMJDUCNKUCQ-LDBCMITESA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211376683 1372543754 /nfs/dbraw/zinc/54/37/54/1372543754.db2.gz NRELSNLYINLVJB-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713758 1372607370 /nfs/dbraw/zinc/60/73/70/1372607370.db2.gz SGSHOEZYBBRBLQ-VQTJNVASSA-N 2 0 345.531 3.103 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccc(OC(F)F)c2)CC1 ZINC001212058985 1372652196 /nfs/dbraw/zinc/65/21/96/1372652196.db2.gz WMJORAAHQOZCMP-UHFFFAOYSA-N 2 0 334.370 3.178 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(Cl)c(F)c2Cl)no1 ZINC001212336059 1372689125 /nfs/dbraw/zinc/68/91/25/1372689125.db2.gz SDUKZVFJOCUDBY-AWEZNQCLSA-N 2 0 347.221 3.485 20 0 EGADRP Cc1c(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)cccc1C(F)(F)F ZINC001212335939 1372689572 /nfs/dbraw/zinc/68/95/72/1372689572.db2.gz PAWXRRRXLURTPF-HNNXBMFYSA-N 2 0 342.365 3.367 20 0 EGADRP COc1ccc2[nH+]c(N)n(-c3ccc(C4CC[NH+](C)CC4)cc3)c2c1 ZINC001212687586 1372753010 /nfs/dbraw/zinc/75/30/10/1372753010.db2.gz AZMCDTSSVSQERL-UHFFFAOYSA-N 2 0 336.439 3.426 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001214990182 1373152743 /nfs/dbraw/zinc/15/27/43/1373152743.db2.gz CUNCXCVWFKBHNY-RVKKMQEKSA-N 2 0 349.494 3.054 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001214998223 1373154117 /nfs/dbraw/zinc/15/41/17/1373154117.db2.gz SDKRRWWNNVLOIO-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774368 1373236248 /nfs/dbraw/zinc/23/62/48/1373236248.db2.gz NETJNQJBYMDPFV-YSNLUETFSA-N 2 0 335.536 3.042 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(OC3CC[NH+](C)CC3)cn2)c1F ZINC001216223688 1373284440 /nfs/dbraw/zinc/28/44/40/1373284440.db2.gz XNRAGAPQWZSIDY-UHFFFAOYSA-N 2 0 344.434 3.157 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)c1sccc1C[NH+](C)C)c1cccc(F)c1 ZINC001128545227 1373287912 /nfs/dbraw/zinc/28/79/12/1373287912.db2.gz VZQQIECKXMKCTC-CYBMUJFWSA-N 2 0 349.475 3.029 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001128743346 1373307745 /nfs/dbraw/zinc/30/77/45/1373307745.db2.gz BZWXMSGWJPDJOG-RTBURBONSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001216510983 1373312863 /nfs/dbraw/zinc/31/28/63/1373312863.db2.gz HQEYFRJACFRUOH-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001216510875 1373313105 /nfs/dbraw/zinc/31/31/05/1373313105.db2.gz BUCZBGNZVOXUHM-ATZDWAIDSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001216842810 1373350126 /nfs/dbraw/zinc/35/01/26/1373350126.db2.gz MOTYBFCVSOSLJF-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846380 1373351106 /nfs/dbraw/zinc/35/11/06/1373351106.db2.gz AIDOJVAJNKNPKC-QSMUSEHHSA-N 2 0 349.563 3.290 20 0 EGADRP O=C(NCC[NH2+]CCCC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429738 1373383165 /nfs/dbraw/zinc/38/31/65/1373383165.db2.gz KOVBRUDTFTUKIF-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001129442489 1373384005 /nfs/dbraw/zinc/38/40/05/1373384005.db2.gz BAUHTMGFCQRFSC-HNAYVOBHSA-N 2 0 345.531 3.091 20 0 EGADRP CC(C)(C)c1ccc(-c2nnc([C@H]3C[NH2+]CC34CC[NH2+]CC4)o2)cc1 ZINC001217705921 1373491517 /nfs/dbraw/zinc/49/15/17/1373491517.db2.gz PMLJPFFXRCXZJU-MRXNPFEDSA-N 2 0 340.471 3.091 20 0 EGADRP C[C@@H]1C[C@H](OCc2ccc(OCC[NH+]3CCCCCC3)cc2)C[NH2+]1 ZINC001217789378 1373500409 /nfs/dbraw/zinc/50/04/09/1373500409.db2.gz ODFZZMNMAPJDBK-XLIONFOSSA-N 2 0 332.488 3.208 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4C[NH2+]CCC45CC5)cc32)CC1 ZINC001218405046 1373608901 /nfs/dbraw/zinc/60/89/01/1373608901.db2.gz MTMHKBMYDHXNIG-FQEVSTJZSA-N 2 0 339.483 3.498 20 0 EGADRP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2 ZINC001218458008 1373618002 /nfs/dbraw/zinc/61/80/02/1373618002.db2.gz BTYJMEOEHKOBLO-YRWFTTLQSA-N 2 0 328.500 3.219 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC001218963389 1373671454 /nfs/dbraw/zinc/67/14/54/1373671454.db2.gz SDYLFIGJXCURKP-HNNXBMFYSA-N 2 0 335.492 3.124 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC001218996614 1373676515 /nfs/dbraw/zinc/67/65/15/1373676515.db2.gz LBLKOQOFFJKXLM-GIVPXCGWSA-N 2 0 349.478 3.095 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001218997691 1373676583 /nfs/dbraw/zinc/67/65/83/1373676583.db2.gz JUGZCPXVYFVRHW-DYXWJJEUSA-N 2 0 349.478 3.443 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848336 1373798281 /nfs/dbraw/zinc/79/82/81/1373798281.db2.gz KSRLHSFBJHHWKG-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001131844839 1373833875 /nfs/dbraw/zinc/83/38/75/1373833875.db2.gz NXPXNAJYESIKNO-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224883454 1375082198 /nfs/dbraw/zinc/08/21/98/1375082198.db2.gz AOWIIFNNAWOZLG-IEBWSBKVSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)C(C)C ZINC001224884707 1375082239 /nfs/dbraw/zinc/08/22/39/1375082239.db2.gz ZNRZIKJNZXIMNP-IBGZPJMESA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001225087764 1375092366 /nfs/dbraw/zinc/09/23/66/1375092366.db2.gz KVNSZFHQJDNSRM-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH+]1CCC(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143432 1375094631 /nfs/dbraw/zinc/09/46/31/1375094631.db2.gz ZTWJBHJFMVCQMH-OAQYLSRUSA-N 2 0 345.531 3.092 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132089955 1375140135 /nfs/dbraw/zinc/14/01/35/1375140135.db2.gz BDRLUZRBHIPWKS-OZZQIWQLSA-N 2 0 332.492 3.058 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC1CCCC1 ZINC001132107540 1375151403 /nfs/dbraw/zinc/15/14/03/1375151403.db2.gz ZZXORDRBPMFWTM-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132129826 1375160955 /nfs/dbraw/zinc/16/09/55/1375160955.db2.gz YYFFLZSMRBQGFR-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691172 1388361095 /nfs/dbraw/zinc/36/10/95/1388361095.db2.gz TYZYTMOFCZWQPR-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690445 1388361199 /nfs/dbraw/zinc/36/11/99/1388361199.db2.gz MEMGUZKIDJHNAZ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132152336 1375171748 /nfs/dbraw/zinc/17/17/48/1375171748.db2.gz ADCJWMCKGXOFJE-AEFFLSMTSA-N 2 0 342.487 3.353 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132204427 1375207677 /nfs/dbraw/zinc/20/76/77/1375207677.db2.gz WFOXPXOZWOJDGG-RBUKOAKNSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CC1CCCCCC1 ZINC001132270990 1375259044 /nfs/dbraw/zinc/25/90/44/1375259044.db2.gz YKWQJHFMUFYKOQ-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132375254 1375338209 /nfs/dbraw/zinc/33/82/09/1375338209.db2.gz CCYATQHAGCCEOO-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132409851 1375358248 /nfs/dbraw/zinc/35/82/48/1375358248.db2.gz FVQKVDJSXUJCKE-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132409760 1375358566 /nfs/dbraw/zinc/35/85/66/1375358566.db2.gz DTUXOFAZFQVAHN-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132409555 1375359218 /nfs/dbraw/zinc/35/92/18/1375359218.db2.gz AWFRNRFGEDKZPA-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132433041 1375378489 /nfs/dbraw/zinc/37/84/89/1375378489.db2.gz JRNHZGXOAFVWJC-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1CCCCC1 ZINC001132433817 1375378998 /nfs/dbraw/zinc/37/89/98/1375378998.db2.gz QMOJCKLYLBXSJM-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132436383 1375380763 /nfs/dbraw/zinc/38/07/63/1375380763.db2.gz LCAFGVGNXKYMMJ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCC2)C1 ZINC001132436369 1375381567 /nfs/dbraw/zinc/38/15/67/1375381567.db2.gz KWUZXQUIOXJTOQ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C)c(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517414 1375435800 /nfs/dbraw/zinc/43/58/00/1375435800.db2.gz CBYNOUQYUZMERV-AZUAARDMSA-N 2 0 345.531 3.113 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001227619316 1375454599 /nfs/dbraw/zinc/45/45/99/1375454599.db2.gz OLJIJFVWBSTKQW-WAYWQWQTSA-N 2 0 349.544 3.360 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703941 1375464015 /nfs/dbraw/zinc/46/40/15/1375464015.db2.gz OVZBQOXIOJDRPG-ILRJUJNRSA-N 2 0 347.547 3.234 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227704407 1375464317 /nfs/dbraw/zinc/46/43/17/1375464317.db2.gz YIVXOEARTAHLNR-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CCC2CCCCCC2)CC1)[NH+](C)C ZINC001227986707 1375498640 /nfs/dbraw/zinc/49/86/40/1375498640.db2.gz KVXVRLBBDKVHSD-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001132738030 1375538327 /nfs/dbraw/zinc/53/83/27/1375538327.db2.gz UFARXHCEDPZLRO-HXUWFJFHSA-N 2 0 345.531 3.138 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[NH+](CC)CC ZINC001228558915 1375598432 /nfs/dbraw/zinc/59/84/32/1375598432.db2.gz HULGMIGZZZATDZ-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887582 1375625708 /nfs/dbraw/zinc/62/57/08/1375625708.db2.gz GHQVZGQCZKWHNL-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950819 1375668229 /nfs/dbraw/zinc/66/82/29/1375668229.db2.gz QTUGFVMCQBPWCL-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)CC1 ZINC001228823543 1375687471 /nfs/dbraw/zinc/68/74/71/1375687471.db2.gz MDCUNZIZSKRIAV-UHFFFAOYSA-N 2 0 327.472 3.450 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001228932719 1375719979 /nfs/dbraw/zinc/71/99/79/1375719979.db2.gz SSLQGWOSZADHSM-APYPLBAYSA-N 2 0 341.927 3.019 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133191700 1375833140 /nfs/dbraw/zinc/83/31/40/1375833140.db2.gz SBFRIZPBLKXVES-APFRWWSVSA-N 2 0 337.552 3.149 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001327145286 1388403581 /nfs/dbraw/zinc/40/35/81/1388403581.db2.gz DPQVPONXCIUWOP-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC001229523137 1375851286 /nfs/dbraw/zinc/85/12/86/1375851286.db2.gz CBMQNWWLXCMJFO-BHIYHBOVSA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001229524636 1375851714 /nfs/dbraw/zinc/85/17/14/1375851714.db2.gz QGSZKIXFIJMVNQ-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](c1cccc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c1)[NH+](C)C ZINC001229625858 1375869124 /nfs/dbraw/zinc/86/91/24/1375869124.db2.gz INWCKLSSRIAGSJ-LPHOPBHVSA-N 2 0 332.488 3.331 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)c1ccccc1 ZINC001229652629 1375872800 /nfs/dbraw/zinc/87/28/00/1375872800.db2.gz QGUAFHNKIGWLHY-GUDVDZBRSA-N 2 0 349.494 3.056 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133274357 1375888841 /nfs/dbraw/zinc/88/88/41/1375888841.db2.gz HACIIGAHODIGTN-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001229837880 1375901081 /nfs/dbraw/zinc/90/10/81/1375901081.db2.gz ZHWMFXGBQAUKFU-RTBURBONSA-N 2 0 349.494 3.075 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133337429 1375931056 /nfs/dbraw/zinc/93/10/56/1375931056.db2.gz NPDFSTJWASCHLY-INPAECQJSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001230107792 1375944949 /nfs/dbraw/zinc/94/49/49/1375944949.db2.gz YBTQYOSAIIKTQE-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC001230113153 1375945962 /nfs/dbraw/zinc/94/59/62/1375945962.db2.gz UKWZKIPSIWTHCM-XFFZJAGNSA-N 2 0 343.515 3.012 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001230257549 1375979138 /nfs/dbraw/zinc/97/91/38/1375979138.db2.gz UEGRVBGZKPHDMC-QZTJIDSGSA-N 2 0 341.515 3.019 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001230284640 1375983702 /nfs/dbraw/zinc/98/37/02/1375983702.db2.gz OVRKGCHJTOSDNB-WOJBJXKFSA-N 2 0 345.531 3.161 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001230284565 1375984474 /nfs/dbraw/zinc/98/44/74/1375984474.db2.gz LAOOBWVUXWZVEO-RTBURBONSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284545 1375984514 /nfs/dbraw/zinc/98/45/14/1375984514.db2.gz KDVDWLQYZSDVHF-DFQSSKMNSA-N 2 0 345.531 3.413 20 0 EGADRP CC(C)[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001133405804 1375991776 /nfs/dbraw/zinc/99/17/76/1375991776.db2.gz RMXGPIOOCHJWPO-UHFFFAOYSA-N 2 0 339.911 3.008 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001230334392 1376000954 /nfs/dbraw/zinc/00/09/54/1376000954.db2.gz VBJYVKBHDWGLSY-IAGOWNOFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001230378165 1376011020 /nfs/dbraw/zinc/01/10/20/1376011020.db2.gz JOQGIRHQXHMQHW-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230378381 1376011476 /nfs/dbraw/zinc/01/14/76/1376011476.db2.gz MBRJZNPCSDONSS-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(C(C)(C)C)c1 ZINC001188981487 1388426931 /nfs/dbraw/zinc/42/69/31/1388426931.db2.gz RUBOCZLGTGWLIG-UHFFFAOYSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)c1cccc(Cl)c1 ZINC001133899543 1376256474 /nfs/dbraw/zinc/25/64/74/1376256474.db2.gz LHLAXAJOSHOLIA-CQSZACIVSA-N 2 0 339.911 3.085 20 0 EGADRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1-c1ccc(F)cc1 ZINC001231825370 1376321547 /nfs/dbraw/zinc/32/15/47/1376321547.db2.gz TTXZKQHLASZBLH-UHFFFAOYSA-N 2 0 341.474 3.172 20 0 EGADRP c1csc(C[NH+]2C[C@H]3CN(Cc4cc5c[nH+]ccc5[nH]4)C[C@@H]3C2)c1 ZINC001232013090 1376382170 /nfs/dbraw/zinc/38/21/70/1376382170.db2.gz XTARYKCCIPMIMV-HZPDHXFCSA-N 2 0 338.480 3.188 20 0 EGADRP c1c2c[nH+]ccc2[nH]c1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232014567 1376384413 /nfs/dbraw/zinc/38/44/13/1376384413.db2.gz QTSBJRBIQIQKBA-OALUTQOASA-N 2 0 332.451 3.127 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC001232145039 1376409118 /nfs/dbraw/zinc/40/91/18/1376409118.db2.gz SLNCVAVSOCVMTA-UHFFFAOYSA-N 2 0 344.430 3.291 20 0 EGADRP CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232152487 1376409987 /nfs/dbraw/zinc/40/99/87/1376409987.db2.gz YIAUMZFTTPXEIJ-QGZVFWFLSA-N 2 0 336.451 3.053 20 0 EGADRP Cc1cccc(-c2ccc(CN3CC(N4CC[NH+](C)CC4)C3)cc2)c1 ZINC001233226235 1376591531 /nfs/dbraw/zinc/59/15/31/1376591531.db2.gz XYXWZWXWGWMFGS-UHFFFAOYSA-N 2 0 335.495 3.094 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134584015 1376608174 /nfs/dbraw/zinc/60/81/74/1376608174.db2.gz QJGIPLUWIXDDRF-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612903 1376624429 /nfs/dbraw/zinc/62/44/29/1376624429.db2.gz QTFLIKCGTHDYFN-DLBZAZTESA-N 2 0 335.536 3.234 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728657 1376681463 /nfs/dbraw/zinc/68/14/63/1376681463.db2.gz BDSIHVZEUNRNCW-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730333 1376682998 /nfs/dbraw/zinc/68/29/98/1376682998.db2.gz VIGXAEBBLNSDRI-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001134766778 1376709951 /nfs/dbraw/zinc/70/99/51/1376709951.db2.gz LZRVNVGDPGISEP-VLUHHTHFSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001134773395 1376713949 /nfs/dbraw/zinc/71/39/49/1376713949.db2.gz OHRJFDCCWFNADG-ROUUACIJSA-N 2 0 347.547 3.407 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C)ccc2c[nH+]cn21 ZINC001134820463 1376741637 /nfs/dbraw/zinc/74/16/37/1376741637.db2.gz JTBGYHCDIHPYGP-GJZGRUSLSA-N 2 0 330.476 3.175 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cs1 ZINC001134858646 1376758006 /nfs/dbraw/zinc/75/80/06/1376758006.db2.gz XGTWZTCKTQXNAP-HUUCEWRRSA-N 2 0 349.544 3.058 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858672 1376758240 /nfs/dbraw/zinc/75/82/40/1376758240.db2.gz XPUKVBHNTFDNCN-DLBZAZTESA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)cs1 ZINC001134858645 1376758299 /nfs/dbraw/zinc/75/82/99/1376758299.db2.gz XGTWZTCKTQXNAP-GJZGRUSLSA-N 2 0 349.544 3.058 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888396 1376769312 /nfs/dbraw/zinc/76/93/12/1376769312.db2.gz MIRPMJJNHUFDOI-LSDHHAIUSA-N 2 0 328.460 3.011 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892860 1376772449 /nfs/dbraw/zinc/77/24/49/1376772449.db2.gz PXNXXKKTMOLGDD-CABCVRRESA-N 2 0 330.476 3.257 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH2+]CCC1CCCC1 ZINC001134999099 1376836062 /nfs/dbraw/zinc/83/60/62/1376836062.db2.gz NVCRJKCPNOLNBQ-CVEARBPZSA-N 2 0 342.487 3.401 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H]2CN2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125285 1376855460 /nfs/dbraw/zinc/85/54/60/1376855460.db2.gz OMEKHMQGCWPVMQ-LEWJYISDSA-N 2 0 327.516 3.259 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427553 1376870674 /nfs/dbraw/zinc/87/06/74/1376870674.db2.gz MELBOJLOLLKKKW-MOPGFXCFSA-N 2 0 330.472 3.075 20 0 EGADRP COc1ncc(C2CC2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430893 1376872218 /nfs/dbraw/zinc/87/22/18/1376872218.db2.gz YKNUQYNDFFGUKH-DLBZAZTESA-N 2 0 329.488 3.179 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076352 1376880452 /nfs/dbraw/zinc/88/04/52/1376880452.db2.gz AOMAGLZSOPMAKJ-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@H+](Cc1cc2c(c(OC)c1)NC(C)(C)C=C2)C1CC[NH2+]CC1 ZINC001235764874 1376889725 /nfs/dbraw/zinc/88/97/25/1376889725.db2.gz NKYUOJATRYZIDY-UHFFFAOYSA-N 2 0 329.488 3.486 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102168 1376899244 /nfs/dbraw/zinc/89/92/44/1376899244.db2.gz XXDFCDIGQCCLGB-DLBZAZTESA-N 2 0 345.531 3.077 20 0 EGADRP [NH3+]CCN(CC[NH3+])Cc1ccccc1Sc1ccc(Cl)cc1 ZINC001235876842 1376908487 /nfs/dbraw/zinc/90/84/87/1376908487.db2.gz DFNAQZXBFUVMRP-UHFFFAOYSA-N 2 0 335.904 3.211 20 0 EGADRP [NH3+]CCN(CC[NH3+])Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC001235878278 1376908806 /nfs/dbraw/zinc/90/88/06/1376908806.db2.gz WNEJHHRCTOBVFA-UHFFFAOYSA-N 2 0 338.282 3.380 20 0 EGADRP COc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1OC ZINC001235883597 1376909792 /nfs/dbraw/zinc/90/97/92/1376909792.db2.gz IGHUEFMIORAVAY-MRXNPFEDSA-N 2 0 338.879 3.321 20 0 EGADRP Cc1ccc([C@@]2(C)C[N@H+](CC3CC4(C3)CC[NH2+]CC4)CCO2)cc1 ZINC001235947536 1376922919 /nfs/dbraw/zinc/92/29/19/1376922919.db2.gz DVJKRRHEFAXDIG-HXUWFJFHSA-N 2 0 328.500 3.322 20 0 EGADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccccc3CCc3ccccc3)C2)C1 ZINC001236077717 1376932410 /nfs/dbraw/zinc/93/24/10/1376932410.db2.gz LHTYFJGCVSDOPG-HSZRJFAPSA-N 2 0 349.522 3.079 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179852 1376952203 /nfs/dbraw/zinc/95/22/03/1376952203.db2.gz AJNWOQFLSFFUCL-HOTGVXAUSA-N 2 0 349.494 3.073 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CCCCCC1 ZINC001135297803 1377026622 /nfs/dbraw/zinc/02/66/22/1377026622.db2.gz HQTCAGHJSIBNOA-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135314446 1377033274 /nfs/dbraw/zinc/03/32/74/1377033274.db2.gz BFXKZOCQIDIVOJ-SJORKVTESA-N 2 0 345.531 3.279 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCC[NH+](C)C ZINC001135314695 1377033612 /nfs/dbraw/zinc/03/36/12/1377033612.db2.gz FSEWAJSUUWAMKA-DLBZAZTESA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135314698 1377033656 /nfs/dbraw/zinc/03/36/56/1377033656.db2.gz FSEWAJSUUWAMKA-SJORKVTESA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCC[NH+](C)C ZINC001135314796 1377033669 /nfs/dbraw/zinc/03/36/69/1377033669.db2.gz HJJVSYNVAKICTK-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCC[NH+](C)C ZINC001135314797 1377033949 /nfs/dbraw/zinc/03/39/49/1377033949.db2.gz HJJVSYNVAKICTK-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CCCCc1ccccc1 ZINC001135317355 1377034303 /nfs/dbraw/zinc/03/43/03/1377034303.db2.gz YBVIJEKTWZRACO-MOPGFXCFSA-N 2 0 347.547 3.224 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001135317054 1377034415 /nfs/dbraw/zinc/03/44/15/1377034415.db2.gz WMRBONARNJADMQ-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP Cc1ccc(CC(C)(C)C[NH2+]C2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001246383065 1377051713 /nfs/dbraw/zinc/05/17/13/1377051713.db2.gz HNPSYYGEGFKDAR-UHFFFAOYSA-N 2 0 330.516 3.455 20 0 EGADRP Brc1ccc2c(c1)C[C@H]([NH2+]C1CCC3(C[NH2+]C3)CC1)CC2 ZINC001246380636 1377051716 /nfs/dbraw/zinc/05/17/16/1377051716.db2.gz YDGPPAIUOLDZHW-QGZVFWFLSA-N 2 0 349.316 3.428 20 0 EGADRP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246748061 1377054025 /nfs/dbraw/zinc/05/40/25/1377054025.db2.gz SDJPGRWDPYAYKM-KURKYZTESA-N 2 0 345.556 3.319 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001135374767 1377061172 /nfs/dbraw/zinc/06/11/72/1377061172.db2.gz GCVQVAFMMVMCMU-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC001135390228 1377069077 /nfs/dbraw/zinc/06/90/77/1377069077.db2.gz IQTXILKPCVOTBQ-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001135440060 1377098536 /nfs/dbraw/zinc/09/85/36/1377098536.db2.gz CXVFKZGIVZDQTO-LJQANCHMSA-N 2 0 349.494 3.031 20 0 EGADRP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254511481 1377105807 /nfs/dbraw/zinc/10/58/07/1377105807.db2.gz ATXRITDXUUKSNP-VAMGGRTRSA-N 3 0 345.531 3.251 20 0 EGADRP CCOc1ccc(NC2CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254528942 1377107167 /nfs/dbraw/zinc/10/71/67/1377107167.db2.gz AZWNPMSBPRGJDQ-LJQANCHMSA-N 2 0 331.504 3.446 20 0 EGADRP C[C@@H](C[NH3+])C[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254791989 1377108933 /nfs/dbraw/zinc/10/89/33/1377108933.db2.gz VTKQUBPKRZYZBD-HNNXBMFYSA-N 2 0 339.524 3.131 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475554 1377110151 /nfs/dbraw/zinc/11/01/51/1377110151.db2.gz CEFMXAZREWEKSC-ROUUACIJSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CCOC(C)(C)C2)CC1 ZINC001255552048 1377110842 /nfs/dbraw/zinc/11/08/42/1377110842.db2.gz REANETSOCGXFCZ-LJQANCHMSA-N 2 0 339.568 3.074 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)C(C)C ZINC001135478052 1377111716 /nfs/dbraw/zinc/11/17/16/1377111716.db2.gz VAYULXLQGSGEOI-GOSISDBHSA-N 2 0 339.568 3.275 20 0 EGADRP COc1ccccc1C[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001258882713 1377120858 /nfs/dbraw/zinc/12/08/58/1377120858.db2.gz AUDNACTYAATADY-KRWDZBQOSA-N 2 0 339.483 3.057 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614050 1377162285 /nfs/dbraw/zinc/16/22/85/1377162285.db2.gz LRRZGWGNLJXYSC-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675630 1377180924 /nfs/dbraw/zinc/18/09/24/1377180924.db2.gz JLMPAVXLNCILOL-IRXDYDNUSA-N 2 0 331.504 3.201 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675685 1377180966 /nfs/dbraw/zinc/18/09/66/1377180966.db2.gz KFOBCATZCGGLAK-HOTGVXAUSA-N 2 0 331.504 3.035 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135705668 1377190031 /nfs/dbraw/zinc/19/00/31/1377190031.db2.gz HHHIGJZKKHRWSB-OLZOCXBDSA-N 2 0 345.940 3.116 20 0 EGADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001266144592 1377207079 /nfs/dbraw/zinc/20/70/79/1377207079.db2.gz WBFNCSMOTPOCAU-ROUUACIJSA-N 2 0 345.531 3.497 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001135860932 1377237954 /nfs/dbraw/zinc/23/79/54/1377237954.db2.gz JSVKNILUCOJQDG-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135860823 1377238225 /nfs/dbraw/zinc/23/82/25/1377238225.db2.gz HZMFIEDQOLBKGD-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135861924 1377238560 /nfs/dbraw/zinc/23/85/60/1377238560.db2.gz YZEKFGJMGWDEOX-HUUCEWRRSA-N 2 0 347.494 3.027 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001266282589 1377258203 /nfs/dbraw/zinc/25/82/03/1377258203.db2.gz IIJKEVNZOVSVKV-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CCCC[NH+](C)C ZINC001135974223 1377282915 /nfs/dbraw/zinc/28/29/15/1377282915.db2.gz KVLMTTNVRHBHKO-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135976321 1377284625 /nfs/dbraw/zinc/28/46/25/1377284625.db2.gz IXJLDHVKXGNCKJ-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135977175 1377284653 /nfs/dbraw/zinc/28/46/53/1377284653.db2.gz QIRYJQJTCYXVJW-RBUKOAKNSA-N 2 0 347.547 3.327 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CCCC[NH+](C)C ZINC001135977286 1377284735 /nfs/dbraw/zinc/28/47/35/1377284735.db2.gz RRLAPRAOHPDABS-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)CCCC[NH+](C)C ZINC001135977287 1377284745 /nfs/dbraw/zinc/28/47/45/1377284745.db2.gz RRLAPRAOHPDABS-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135997084 1377292955 /nfs/dbraw/zinc/29/29/55/1377292955.db2.gz YCWWRQJKNRKVAR-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001266492748 1377321096 /nfs/dbraw/zinc/32/10/96/1377321096.db2.gz WBNBXSXIDHMKNU-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001266634771 1377354623 /nfs/dbraw/zinc/35/46/23/1377354623.db2.gz FIGYPVGCKXVZIP-KZNAEPCWSA-N 2 0 337.552 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001266819651 1377385931 /nfs/dbraw/zinc/38/59/31/1377385931.db2.gz COCUGHBLYUWHNJ-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1C(C)C ZINC001267279604 1377437293 /nfs/dbraw/zinc/43/72/93/1377437293.db2.gz HYLBCXIIWALODF-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001268236377 1377499783 /nfs/dbraw/zinc/49/97/83/1377499783.db2.gz GIPHTFDDFQIKCZ-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1CC ZINC001268239883 1377500746 /nfs/dbraw/zinc/50/07/46/1377500746.db2.gz RRFRHYXWXGHUEJ-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1scnc1Cl ZINC001137823523 1377622487 /nfs/dbraw/zinc/62/24/87/1377622487.db2.gz JTNZNAWJATUCGE-UHFFFAOYSA-N 2 0 346.972 3.282 20 0 EGADRP CC(=O)Oc1cccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001138043339 1377670408 /nfs/dbraw/zinc/67/04/08/1377670408.db2.gz TXMBWPWJTBYBBD-UHFFFAOYSA-N 2 0 330.472 3.166 20 0 EGADRP Cc1nccn1-c1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)cc1 ZINC001138548212 1377740159 /nfs/dbraw/zinc/74/01/59/1377740159.db2.gz ACWXXIPBYJYOHJ-UHFFFAOYSA-N 2 0 346.425 3.096 20 0 EGADRP CNc1ncccc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001138693232 1377768822 /nfs/dbraw/zinc/76/88/22/1377768822.db2.gz PWNOKDSKNQICGO-NRFANRHFSA-N 2 0 336.483 3.221 20 0 EGADRP COc1ccc(C[N@H+](C)C2CCN(C)CC2)c2c(OC)cccc12 ZINC001138749922 1377780347 /nfs/dbraw/zinc/78/03/47/1377780347.db2.gz LJXOLABXYZIMGM-UHFFFAOYSA-N 2 0 328.456 3.383 20 0 EGADRP Nc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001139229566 1377856807 /nfs/dbraw/zinc/85/68/07/1377856807.db2.gz DCJOTCBOMSAZBY-SJORKVTESA-N 2 0 342.512 3.069 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(-n2cncn2)cc1 ZINC001139334338 1377869331 /nfs/dbraw/zinc/86/93/31/1377869331.db2.gz RCKSIEIAOVDZHJ-PMACEKPBSA-N 2 0 339.487 3.106 20 0 EGADRP C[N@@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)CC1CC[NH+](C)CC1 ZINC001139538598 1377900546 /nfs/dbraw/zinc/90/05/46/1377900546.db2.gz RVQCQUWUDQWEGT-UHFFFAOYSA-N 2 0 340.393 3.355 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC001139891639 1377973681 /nfs/dbraw/zinc/97/36/81/1377973681.db2.gz CWMZJXOTNNCWME-UHFFFAOYSA-N 2 0 329.463 3.048 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cccnn3)C[C@@H]21 ZINC001139972443 1377985480 /nfs/dbraw/zinc/98/54/80/1377985480.db2.gz OKSYMIGSYWSDSQ-ZYSHUDEJSA-N 2 0 342.512 3.271 20 0 EGADRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001140414699 1378059807 /nfs/dbraw/zinc/05/98/07/1378059807.db2.gz ZOFBGHVMLVKDKU-IRXDYDNUSA-N 2 0 342.874 3.181 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)c(C)c1 ZINC001275135848 1378134349 /nfs/dbraw/zinc/13/43/49/1378134349.db2.gz ODLVRDFVGXHZJB-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275768295 1378156496 /nfs/dbraw/zinc/15/64/96/1378156496.db2.gz RFPWYUBYTFVFGA-BGYRXZFFSA-N 2 0 337.511 3.358 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887554 1378169933 /nfs/dbraw/zinc/16/99/33/1378169933.db2.gz GCEOFESBVXHODH-OAHLLOKOSA-N 2 0 332.341 3.252 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3sccc3C2)CC1 ZINC001140970524 1378196061 /nfs/dbraw/zinc/19/60/61/1378196061.db2.gz LNBQZLWPZYYHFL-UHFFFAOYSA-N 2 0 327.497 3.058 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001278526824 1378280654 /nfs/dbraw/zinc/28/06/54/1378280654.db2.gz NCESLVMRKAVMKM-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP COc1cc(F)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001141281672 1378290836 /nfs/dbraw/zinc/29/08/36/1378290836.db2.gz JTPJMPMBZUDNHH-UHFFFAOYSA-N 2 0 338.467 3.395 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC001141406361 1378319004 /nfs/dbraw/zinc/31/90/04/1378319004.db2.gz SDNGDFDOQVOUAM-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CN(CCC[N@H+](C)CCC1CCCCCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001280794013 1378379159 /nfs/dbraw/zinc/37/91/59/1378379159.db2.gz QRMZIWVDSCXOEN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3coc4ccc(F)cc34)CC2)CC1 ZINC001141856854 1378387007 /nfs/dbraw/zinc/38/70/07/1378387007.db2.gz UQIIEIOZIFASDP-UHFFFAOYSA-N 2 0 345.462 3.031 20 0 EGADRP Cc1onc(-c2ccccc2)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001141978416 1378400645 /nfs/dbraw/zinc/40/06/45/1378400645.db2.gz AOAXYYOKOKHDFV-UHFFFAOYSA-N 2 0 334.423 3.367 20 0 EGADRP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC001143265114 1378572430 /nfs/dbraw/zinc/57/24/30/1378572430.db2.gz XAVMODXUVSNHEQ-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccc(O)c1C ZINC001144118285 1378684558 /nfs/dbraw/zinc/68/45/58/1378684558.db2.gz QTZJDDCDZHACRY-UHFFFAOYSA-N 2 0 335.536 3.186 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)CC(C)C ZINC001144190006 1378695773 /nfs/dbraw/zinc/69/57/73/1378695773.db2.gz PYKSGTHVXLITQZ-BDXSIMOUSA-N 2 0 325.541 3.120 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC([N@H+](C)CCCC(C)(C)C)CC2)CC1 ZINC001283324528 1378807902 /nfs/dbraw/zinc/80/79/02/1378807902.db2.gz ABTRIVZANRJLAQ-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001146399972 1378835245 /nfs/dbraw/zinc/83/52/45/1378835245.db2.gz ZGEZWNQNKQJTSD-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583062 1378871422 /nfs/dbraw/zinc/87/14/22/1378871422.db2.gz IYHMQAHDKRFUBU-HZPDHXFCSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001146591926 1378872855 /nfs/dbraw/zinc/87/28/55/1378872855.db2.gz IJABXWKGKUPWCR-STQMWFEESA-N 2 0 345.940 3.115 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701559 1378900788 /nfs/dbraw/zinc/90/07/88/1378900788.db2.gz NGBNFIUDMLDQKW-ASIGSXEYSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146712156 1378904995 /nfs/dbraw/zinc/90/49/95/1378904995.db2.gz AIMGWZOZBPUZIK-ROUUACIJSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCC1CC1)C2)[NH+](C)C ZINC001327696405 1388586708 /nfs/dbraw/zinc/58/67/08/1388586708.db2.gz RKSVQBQQRDAJCV-HXUWFJFHSA-N 2 0 343.515 3.005 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CCCC(C)(C)C)c1ccccc1 ZINC001147457336 1379025372 /nfs/dbraw/zinc/02/53/72/1379025372.db2.gz FGTNYLYSJRNRGI-GOSISDBHSA-N 2 0 333.520 3.212 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CC1CCCCCC1)c1ccccc1 ZINC001147457511 1379025466 /nfs/dbraw/zinc/02/54/66/1379025466.db2.gz GNWPVQMOUJRMHW-HXUWFJFHSA-N 2 0 345.531 3.356 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001327696855 1388586784 /nfs/dbraw/zinc/58/67/84/1388586784.db2.gz YLPPVGSZJDWGMC-UHFFFAOYSA-N 2 0 345.531 3.396 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)c3cccc4nccn43)C2)C1 ZINC001147883188 1379096977 /nfs/dbraw/zinc/09/69/77/1379096977.db2.gz LGHNDQJZOVISSE-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001148125795 1379121711 /nfs/dbraw/zinc/12/17/11/1379121711.db2.gz QXRDEPVYZSMORG-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1cccc2ccccc21 ZINC001148365212 1379157565 /nfs/dbraw/zinc/15/75/65/1379157565.db2.gz LEAAVFSQWUDOLS-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477545 1379182783 /nfs/dbraw/zinc/18/27/83/1379182783.db2.gz XAOFCDGIGXTHRR-VJIACCKLSA-N 2 0 349.563 3.243 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777133 1379266064 /nfs/dbraw/zinc/26/60/64/1379266064.db2.gz ACYFFXNHCYHVPN-ONEGZZNKSA-N 2 0 347.547 3.143 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)(C)CC1)C2 ZINC001148838920 1379279719 /nfs/dbraw/zinc/27/97/19/1379279719.db2.gz HVLATQWTSKBBOP-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001152148792 1379872789 /nfs/dbraw/zinc/87/27/89/1379872789.db2.gz RIMHWNGONIXMCE-CALCHBBNSA-N 2 0 345.531 3.063 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001152245842 1379893392 /nfs/dbraw/zinc/89/33/92/1379893392.db2.gz NOUZLAWBCKRLJO-QZTJIDSGSA-N 2 0 345.531 3.284 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152464453 1379939023 /nfs/dbraw/zinc/93/90/23/1379939023.db2.gz MZOIRFXNUPQNTO-FQEVSTJZSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1F)[NH+]1CCCCC1 ZINC001152473662 1379939392 /nfs/dbraw/zinc/93/93/92/1379939392.db2.gz XSGGVXQUUNNKPK-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152479270 1379940818 /nfs/dbraw/zinc/94/08/18/1379940818.db2.gz DDXPYSSYCCIYFK-QUCCMNQESA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)CCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001153314090 1380055143 /nfs/dbraw/zinc/05/51/43/1380055143.db2.gz DKMOJHAJJZNNRQ-LJQANCHMSA-N 2 0 349.494 3.249 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388231 1380067917 /nfs/dbraw/zinc/06/79/17/1380067917.db2.gz XBNITWBPJSQZFW-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153678090 1380113683 /nfs/dbraw/zinc/11/36/83/1380113683.db2.gz WUHBWQXHCHQBRG-CQSZACIVSA-N 2 0 337.533 3.050 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824194 1380137420 /nfs/dbraw/zinc/13/74/20/1380137420.db2.gz OHPVCSRFDVJBBR-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033626 1380187499 /nfs/dbraw/zinc/18/74/99/1380187499.db2.gz GVFJECRIMZJLQS-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455688 1380281077 /nfs/dbraw/zinc/28/10/77/1380281077.db2.gz ZWILBCDQRDEUPG-JISXSJDESA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480628 1380285629 /nfs/dbraw/zinc/28/56/29/1380285629.db2.gz BEHXOUCMFRKVEA-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481299 1380285712 /nfs/dbraw/zinc/28/57/12/1380285712.db2.gz MDVTZSKICIXPFI-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC)C1 ZINC001154784641 1380350858 /nfs/dbraw/zinc/35/08/58/1380350858.db2.gz JLTMMRNDOXNBRU-MJGOQNOKSA-N 2 0 339.568 3.371 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888845 1380373743 /nfs/dbraw/zinc/37/37/43/1380373743.db2.gz WIVDDZSHFUSTDH-ROJDOSBLSA-N 2 0 335.492 3.138 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001155067360 1380402577 /nfs/dbraw/zinc/40/25/77/1380402577.db2.gz XKLVSYCILZDCIW-YLJYHZDGSA-N 2 0 347.547 3.162 20 0 EGADRP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085810 1380405929 /nfs/dbraw/zinc/40/59/29/1380405929.db2.gz UEBUNQWKXBZRMB-UYAOXDASSA-N 2 0 347.547 3.216 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611480 1380473559 /nfs/dbraw/zinc/47/35/59/1380473559.db2.gz FYNDGUFUJSZYAH-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631026 1380476207 /nfs/dbraw/zinc/47/62/07/1380476207.db2.gz HGMYNOPWNGAHTL-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001328079671 1388663315 /nfs/dbraw/zinc/66/33/15/1388663315.db2.gz DYPMPRLQROUCHD-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCCSCc3ccco3)c2)CC1 ZINC001156198521 1380540363 /nfs/dbraw/zinc/54/03/63/1380540363.db2.gz UHNQFLLTIMXGNR-UHFFFAOYSA-N 2 0 347.484 3.493 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341972 1380561698 /nfs/dbraw/zinc/56/16/98/1380561698.db2.gz PJDHVBUSPFVDGE-WIYYLYMNSA-N 2 0 347.547 3.480 20 0 EGADRP c1ccc(C[NH+]2CC(CNc3ccc(C[NH+]4CCCC4)cn3)C2)cc1 ZINC001156403203 1380572056 /nfs/dbraw/zinc/57/20/56/1380572056.db2.gz PDKDVPLHNBPBCL-UHFFFAOYSA-N 2 0 336.483 3.221 20 0 EGADRP CC[N@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465669 1380579350 /nfs/dbraw/zinc/57/93/50/1380579350.db2.gz DSXYMPWMFYLPKJ-KWRJMZDGSA-N 2 0 345.531 3.258 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475353 1380580848 /nfs/dbraw/zinc/58/08/48/1380580848.db2.gz ASDKYTLZSNMXCL-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)C/C=C\c1ccccc1 ZINC001156510133 1380586216 /nfs/dbraw/zinc/58/62/16/1380586216.db2.gz JCGZTPQXOCFGRH-QTJNJRLBSA-N 2 0 345.531 3.258 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCCC(C)(C)C ZINC001156516924 1380587470 /nfs/dbraw/zinc/58/74/70/1380587470.db2.gz HRCZIGSPWXGWLD-QGZVFWFLSA-N 2 0 327.557 3.371 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCC1CCCC1 ZINC001156525709 1380588125 /nfs/dbraw/zinc/58/81/25/1380588125.db2.gz VKEOPKFZWYUGOG-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086077 1380772496 /nfs/dbraw/zinc/77/24/96/1380772496.db2.gz BHLJIMAATUIANY-QGZVFWFLSA-N 2 0 331.504 3.155 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109933 1380778336 /nfs/dbraw/zinc/77/83/36/1380778336.db2.gz WGCJQHUXYNJXCZ-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157110011 1380779170 /nfs/dbraw/zinc/77/91/70/1380779170.db2.gz XRCCJIJXDBMCEU-MOPGFXCFSA-N 2 0 337.552 3.290 20 0 EGADRP CN(CC[N@H+](C)Cc1ccccc1)c1ccc(C[NH+](C)C2CC2)cn1 ZINC001157557127 1380965079 /nfs/dbraw/zinc/96/50/79/1380965079.db2.gz UYRVLEOOCJEHRH-UHFFFAOYSA-N 2 0 338.499 3.244 20 0 EGADRP CCC[NH+]1C[C@@H]2CN(c3[nH+]ccc4cc(OC)c(OC)cc43)C[C@H]2C1 ZINC001157693265 1381004352 /nfs/dbraw/zinc/00/43/52/1381004352.db2.gz YHKQXEUYCSMWGL-HZPDHXFCSA-N 2 0 341.455 3.030 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001157899266 1381065031 /nfs/dbraw/zinc/06/50/31/1381065031.db2.gz LWMWJZDTPQDUNH-RTBURBONSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001158080262 1381122076 /nfs/dbraw/zinc/12/20/76/1381122076.db2.gz ZWBRJXVSIWRCRA-SFHVURJKSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001328254587 1388700010 /nfs/dbraw/zinc/70/00/10/1388700010.db2.gz DZDXZXKMYBCWJP-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100262 1381127782 /nfs/dbraw/zinc/12/77/82/1381127782.db2.gz ZLVDXWAJYWDGQU-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158554390 1381296027 /nfs/dbraw/zinc/29/60/27/1381296027.db2.gz JIVLIAYWXPMBKZ-KKHYBRAUSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCF ZINC001158631718 1381331446 /nfs/dbraw/zinc/33/14/46/1381331446.db2.gz ZPZCKQDENYRCCR-GOSISDBHSA-N 2 0 343.531 3.171 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909658 1381460349 /nfs/dbraw/zinc/46/03/49/1381460349.db2.gz UGGGDBOQIKFJOZ-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C ZINC001328361427 1388729803 /nfs/dbraw/zinc/72/98/03/1388729803.db2.gz IHGVPVJGJVAUEG-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(C(C)(C)C)c2)cnc1N1CC[NH2+]CC1 ZINC001159241428 1381741404 /nfs/dbraw/zinc/74/14/04/1381741404.db2.gz YDFBWKZFGBMIDP-UHFFFAOYSA-N 2 0 325.460 3.236 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cccnc1OC1CC[NH2+]CC1 ZINC001159242850 1381742542 /nfs/dbraw/zinc/74/25/42/1381742542.db2.gz HDXCPZOETOHAGS-UHFFFAOYSA-N 2 0 326.444 3.018 20 0 EGADRP C[NH+](C)Cc1ccnc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1 ZINC001159654932 1381860959 /nfs/dbraw/zinc/86/09/59/1381860959.db2.gz MNOJJXRGUHCCGY-FQEVSTJZSA-N 2 0 338.499 3.262 20 0 EGADRP CCOC(=O)C1CC[NH+](Cc2cccc(NC3=C[NH2+]CCC3)c2)CC1 ZINC001159713676 1381877282 /nfs/dbraw/zinc/87/72/82/1381877282.db2.gz IJDPVZYNLGVOBH-UHFFFAOYSA-N 2 0 343.471 3.098 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839320 1381917051 /nfs/dbraw/zinc/91/70/51/1381917051.db2.gz YEOYHYLCYSTCRE-MOPGFXCFSA-N 2 0 345.531 3.130 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001159902222 1381932679 /nfs/dbraw/zinc/93/26/79/1381932679.db2.gz VBCLVBBVUGZZCD-FQEVSTJZSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001159910691 1381934492 /nfs/dbraw/zinc/93/44/92/1381934492.db2.gz SYFWAAWSMYFHCZ-IBGZPJMESA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909163 1381934616 /nfs/dbraw/zinc/93/46/16/1381934616.db2.gz KNJYURHVFNROBU-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001159922584 1381938659 /nfs/dbraw/zinc/93/86/59/1381938659.db2.gz KYCUUHFFTRLLDY-HXUWFJFHSA-N 2 0 341.455 3.111 20 0 EGADRP [NH3+][C@@H]1CCN(c2cccc(F)c2NC2=CC[C@H]([NH+]3CCCC3)CC2)C1 ZINC001160070747 1381989254 /nfs/dbraw/zinc/98/92/54/1381989254.db2.gz JESQIIPDJUPPHI-WBVHZDCISA-N 2 0 344.478 3.307 20 0 EGADRP [NH3+][C@@H]1CCN(c2cccc(F)c2NC2=CC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC001160070746 1381989581 /nfs/dbraw/zinc/98/95/81/1381989581.db2.gz JESQIIPDJUPPHI-NVXWUHKLSA-N 2 0 344.478 3.307 20 0 EGADRP [NH3+]C1CCN(c2c(F)cccc2Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001160108770 1381999872 /nfs/dbraw/zinc/99/98/72/1381999872.db2.gz SNUHGILBXVWVHL-UHFFFAOYSA-N 2 0 326.419 3.100 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131029 1382008225 /nfs/dbraw/zinc/00/82/25/1382008225.db2.gz DCMOINIUCHKRCG-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131955 1382009683 /nfs/dbraw/zinc/00/96/83/1382009683.db2.gz YCWDKJBKAZZKPM-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155284 1382018111 /nfs/dbraw/zinc/01/81/11/1382018111.db2.gz BCYCOGSUYVBWDS-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001160274720 1382057982 /nfs/dbraw/zinc/05/79/82/1382057982.db2.gz WCDDLNGRPMWDOD-FQEVSTJZSA-N 2 0 345.531 3.109 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001160275140 1382059417 /nfs/dbraw/zinc/05/94/17/1382059417.db2.gz ZVKIWKJYXXUFHR-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160285902 1382061817 /nfs/dbraw/zinc/06/18/17/1382061817.db2.gz KTWCOOJWIIRODB-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360251 1382082888 /nfs/dbraw/zinc/08/28/88/1382082888.db2.gz MJXLCEDNOCOAEB-FXAWDEMLSA-N 2 0 349.563 3.147 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001160426098 1382100736 /nfs/dbraw/zinc/10/07/36/1382100736.db2.gz DEPXMFGAKFXGFS-MJGOQNOKSA-N 2 0 333.520 3.047 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[nH+]cc21 ZINC001160472773 1382115852 /nfs/dbraw/zinc/11/58/52/1382115852.db2.gz NHMRGNVAIPAINL-ZSOGYDGISA-N 2 0 342.443 3.167 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160473484 1382116913 /nfs/dbraw/zinc/11/69/13/1382116913.db2.gz JPQKXUJXIKZKFK-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001160518918 1382129701 /nfs/dbraw/zinc/12/97/01/1382129701.db2.gz SYYITKFLOUBYRY-UHFFFAOYSA-N 2 0 347.547 3.356 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160560065 1382141882 /nfs/dbraw/zinc/14/18/82/1382141882.db2.gz VCLXFGMWZDZNJW-UHFFFAOYSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567588 1382144338 /nfs/dbraw/zinc/14/43/38/1382144338.db2.gz GHTUFUBXMSXWLB-QUCCMNQESA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161230708 1382349740 /nfs/dbraw/zinc/34/97/40/1382349740.db2.gz HFVDVDSBSIHJRH-SGQUHAKNSA-N 2 0 335.536 3.211 20 0 EGADRP Clc1cc(NCC2CC[NH+](CC3CCC3)CC2)c2c(n1)C[NH2+]CC2 ZINC001161234869 1382351184 /nfs/dbraw/zinc/35/11/84/1382351184.db2.gz WNUNWUCBFROZBY-UHFFFAOYSA-N 2 0 348.922 3.305 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](Cc2csc(C)c2)CC1 ZINC001161645957 1382469388 /nfs/dbraw/zinc/46/93/88/1382469388.db2.gz VRONJZYCJUWFCH-UHFFFAOYSA-N 2 0 349.544 3.037 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001161650242 1382470272 /nfs/dbraw/zinc/47/02/72/1382470272.db2.gz CCZPHWXMWMKORV-GOSISDBHSA-N 2 0 343.515 3.228 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)C1 ZINC001161704700 1382485474 /nfs/dbraw/zinc/48/54/74/1382485474.db2.gz GIXIIOACTCAEJG-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1)c1ccccc1 ZINC001161872323 1382535933 /nfs/dbraw/zinc/53/59/33/1382535933.db2.gz AYAIFUMBQSECIY-IBGZPJMESA-N 2 0 336.439 3.195 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001161953329 1382568533 /nfs/dbraw/zinc/56/85/33/1382568533.db2.gz SOARZQOLYHJCNC-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163006705 1382945899 /nfs/dbraw/zinc/94/58/99/1382945899.db2.gz JNSFNTXLNXUTTF-IBGZPJMESA-N 2 0 347.547 3.034 20 0 EGADRP Cc1ccc2c(c1)[C@@H](Nc1cnc3c(c1)C[NH2+]CC3)CC21CC[NH2+]CC1 ZINC001163034395 1382952845 /nfs/dbraw/zinc/95/28/45/1382952845.db2.gz QIULFQRENIZTFK-NRFANRHFSA-N 2 0 348.494 3.214 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)nc2ccc(F)cc21 ZINC001163122190 1382970654 /nfs/dbraw/zinc/97/06/54/1382970654.db2.gz DXBWZDLURGNODE-UHFFFAOYSA-N 2 0 337.830 3.305 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163223977 1382997962 /nfs/dbraw/zinc/99/79/62/1382997962.db2.gz PMXFGVJCBHUHGB-PXNSSMCTSA-N 2 0 343.515 3.026 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001163851383 1383129549 /nfs/dbraw/zinc/12/95/49/1383129549.db2.gz LNRWXNPQKLKUSU-SFHVURJKSA-N 2 0 349.494 3.247 20 0 EGADRP C[NH+](C)Cc1c[nH]c2nccc(NCc3cccc(C[NH+](C)C)c3)c12 ZINC001163999420 1383144856 /nfs/dbraw/zinc/14/48/56/1383144856.db2.gz WBWNXVPCDJCADZ-UHFFFAOYSA-N 2 0 337.471 3.298 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001164449607 1383187811 /nfs/dbraw/zinc/18/78/11/1383187811.db2.gz ODEVGCNBJJPCJA-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)C[NH2+]CC5)[C@H]3C2)cc1 ZINC001164486435 1383192020 /nfs/dbraw/zinc/19/20/20/1383192020.db2.gz NZQZRPBVIMHRFG-SLFFLAALSA-N 2 0 348.494 3.050 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531366 1383196971 /nfs/dbraw/zinc/19/69/71/1383196971.db2.gz FVAIDJXGDMNDGY-ZWKOTPCHSA-N 2 0 349.563 3.173 20 0 EGADRP c1cnc(O[C@H]2CC[NH2+]C2)c(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001165213124 1383249701 /nfs/dbraw/zinc/24/97/01/1383249701.db2.gz KNECMFJHZZYGKI-SFHVURJKSA-N 2 0 338.455 3.162 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165245682 1383257114 /nfs/dbraw/zinc/25/71/14/1383257114.db2.gz BHYNSPHBNFYKTL-MRXNPFEDSA-N 2 0 343.471 3.120 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001165378224 1383282557 /nfs/dbraw/zinc/28/25/57/1383282557.db2.gz ISEGOAWPHNYPMX-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165568283 1383311955 /nfs/dbraw/zinc/31/19/55/1383311955.db2.gz HIIWMBDTUDNHGF-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001165719068 1383332440 /nfs/dbraw/zinc/33/24/40/1383332440.db2.gz ZIMGPQLFMYWYDJ-GOSISDBHSA-N 2 0 335.536 3.093 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001165809840 1383348503 /nfs/dbraw/zinc/34/85/03/1383348503.db2.gz QFQBSTSKQVRXCI-KRWDZBQOSA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165967609 1383371958 /nfs/dbraw/zinc/37/19/58/1383371958.db2.gz DHTYQLSECDIIPG-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)c2cccc3nccn32)CC1 ZINC001166139074 1383394662 /nfs/dbraw/zinc/39/46/62/1383394662.db2.gz YYPYJEZBXXXSCH-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCCC[NH2+]CC2=CCCCC2)cc1 ZINC001166736308 1383468262 /nfs/dbraw/zinc/46/82/62/1383468262.db2.gz IYRJBQZGJNNTPT-UHFFFAOYSA-N 2 0 343.515 3.001 20 0 EGADRP Cc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)ccc1OCC[NH+](C)C ZINC001299149972 1383475903 /nfs/dbraw/zinc/47/59/03/1383475903.db2.gz YTNZOTNOVIZSIF-KRWDZBQOSA-N 2 0 347.503 3.138 20 0 EGADRP Fc1ccc2c(c1)c1c(n2-c2cc(N3CCCC3)cc[nH+]2)CC[NH2+]C1 ZINC001167087069 1383536965 /nfs/dbraw/zinc/53/69/65/1383536965.db2.gz HGPVXMWBGMTMIP-UHFFFAOYSA-N 2 0 336.414 3.411 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001167179231 1383559461 /nfs/dbraw/zinc/55/94/61/1383559461.db2.gz FJWFOGMCXQKBJO-ABHNRTSZSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167225395 1383569754 /nfs/dbraw/zinc/56/97/54/1383569754.db2.gz UEEIRHWRQHMOJO-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167223881 1383570229 /nfs/dbraw/zinc/57/02/29/1383570229.db2.gz CSBCURBSZUUGRY-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167240970 1383573370 /nfs/dbraw/zinc/57/33/70/1383573370.db2.gz XUMKGNNDYLLKSY-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC[NH+](CC)Cc1cc(-n2ccc3cc(C[NH3+])cnc32)ccc1OC ZINC001167316124 1383594839 /nfs/dbraw/zinc/59/48/39/1383594839.db2.gz GFSLYZXULONAEO-UHFFFAOYSA-N 2 0 338.455 3.335 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385511 1383618777 /nfs/dbraw/zinc/61/87/77/1383618777.db2.gz HDCDHNHLOPPOQA-PXPVJAHISA-N 2 0 349.563 3.483 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001167385818 1383618795 /nfs/dbraw/zinc/61/87/95/1383618795.db2.gz UUWVBOGNTHBRIN-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426757 1383630634 /nfs/dbraw/zinc/63/06/34/1383630634.db2.gz YFWMTAFEJYDRBT-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC[C@@H](C)F)CC1 ZINC001167470769 1383642543 /nfs/dbraw/zinc/64/25/43/1383642543.db2.gz AOZYPGCWOIRKOK-QGZVFWFLSA-N 2 0 343.531 3.123 20 0 EGADRP CCC[C@@]1(C)CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167509428 1383654843 /nfs/dbraw/zinc/65/48/43/1383654843.db2.gz NCOYDBIFPVFUMG-FPOVZHCZSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001167627234 1383692937 /nfs/dbraw/zinc/69/29/37/1383692937.db2.gz MQCOOEMAFYROBX-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001167640307 1383695712 /nfs/dbraw/zinc/69/57/12/1383695712.db2.gz MGOJPMXYNQXUGF-SFHVURJKSA-N 2 0 345.531 3.274 20 0 EGADRP Cc1c2[nH+]c[nH]c2ccc1NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001167642898 1383696249 /nfs/dbraw/zinc/69/62/49/1383696249.db2.gz CSPOHPIGOHYIHP-UHFFFAOYSA-N 2 0 344.459 3.265 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001167737564 1383726195 /nfs/dbraw/zinc/72/61/95/1383726195.db2.gz VMTBVICNYMKVJV-IBGZPJMESA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001167783889 1383739820 /nfs/dbraw/zinc/73/98/20/1383739820.db2.gz INFDLAGRHCYSCM-GOSISDBHSA-N 2 0 345.531 3.356 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167783724 1383739865 /nfs/dbraw/zinc/73/98/65/1383739865.db2.gz FCPNJKYXPVQYKX-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001167812350 1383746080 /nfs/dbraw/zinc/74/60/80/1383746080.db2.gz MQGABUWDGLEBJU-SFHVURJKSA-N 2 0 345.531 3.356 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001167811952 1383746553 /nfs/dbraw/zinc/74/65/53/1383746553.db2.gz DDMFRQMIDUUJCR-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001167826276 1383750102 /nfs/dbraw/zinc/75/01/02/1383750102.db2.gz OERVITYREVPKJQ-ICSRJNTNSA-N 2 0 337.552 3.364 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCOC[C@@H]2COC)CC1 ZINC001167828111 1383750872 /nfs/dbraw/zinc/75/08/72/1383750872.db2.gz WKOVIWGIJOXGAO-MOPGFXCFSA-N 2 0 340.552 3.262 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2nccc3occc32)CC1 ZINC001167827231 1383751113 /nfs/dbraw/zinc/75/11/13/1383751113.db2.gz VCGSRVIZJMKZTA-QGZVFWFLSA-N 2 0 344.503 3.460 20 0 EGADRP CCOC(=O)C[C@@H]1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]1C ZINC001167834813 1383752933 /nfs/dbraw/zinc/75/29/33/1383752933.db2.gz MWFCVRIETCFJDB-KSZLIROESA-N 2 0 326.525 3.408 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1ncccc1OC)C1CC[NH2+]CC1 ZINC001167834830 1383753776 /nfs/dbraw/zinc/75/37/76/1383753776.db2.gz NBFFSBXOLMEQNY-QGZVFWFLSA-N 2 0 348.535 3.159 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2ncncc2C)CC1 ZINC001167835276 1383754173 /nfs/dbraw/zinc/75/41/73/1383754173.db2.gz QPQDRJYGKWZVDZ-KRWDZBQOSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2ncc(C)cn2)C1 ZINC001167836191 1383754192 /nfs/dbraw/zinc/75/41/92/1383754192.db2.gz XCPDBAYKBIBWNM-ROUUACIJSA-N 2 0 334.508 3.139 20 0 EGADRP CCN(CC)C(=O)NC1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835895 1383754401 /nfs/dbraw/zinc/75/44/01/1383754401.db2.gz VMTNTWJUUHMRHW-QGZVFWFLSA-N 2 0 340.556 3.013 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2nccc(C)n2)C1 ZINC001167836423 1383754819 /nfs/dbraw/zinc/75/48/19/1383754819.db2.gz ZWIUWMXPCZSJHF-MSOLQXFVSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001167836624 1383755059 /nfs/dbraw/zinc/75/50/59/1383755059.db2.gz GDOIESRMEJYSJA-AZUAARDMSA-N 3 0 339.568 3.072 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001167836626 1383755283 /nfs/dbraw/zinc/75/52/83/1383755283.db2.gz GDOIESRMEJYSJA-QUCCMNQESA-N 3 0 339.568 3.072 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC2(CN(Cc3ccccc3)C2)C1 ZINC001167838211 1383755638 /nfs/dbraw/zinc/75/56/38/1383755638.db2.gz RRLYXUYAMAOZBR-IBGZPJMESA-N 2 0 329.532 3.315 20 0 EGADRP C[N@H+](CCCC(=O)c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995844 1383792111 /nfs/dbraw/zinc/79/21/11/1383792111.db2.gz RVJMQHFEPNLXNF-YOFSQIOKSA-N 2 0 341.499 3.382 20 0 EGADRP C[N@H+](C[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168005493 1383794820 /nfs/dbraw/zinc/79/48/20/1383794820.db2.gz JAVVLOXMKJAGFX-XNMUZJSGSA-N 2 0 326.484 3.327 20 0 EGADRP COC(=O)C(C)(C)C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011513 1383797000 /nfs/dbraw/zinc/79/70/00/1383797000.db2.gz OZZYMZMCYPRWRW-HOTGVXAUSA-N 2 0 332.488 3.217 20 0 EGADRP C[C@@H]1CC(N(CC[NH3+])c2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024113 1383799247 /nfs/dbraw/zinc/79/92/47/1383799247.db2.gz ZZDXBFKOEGRJPX-QZTJIDSGSA-N 2 0 338.499 3.288 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030073 1383800340 /nfs/dbraw/zinc/80/03/40/1383800340.db2.gz MOUIJPCYJNNEPU-PMACEKPBSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@H]1CC(n2ccnc2CCC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039470 1383801922 /nfs/dbraw/zinc/80/19/22/1383801922.db2.gz FHGOSJITSSTMMF-IRXDYDNUSA-N 2 0 326.488 3.389 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[NH+]3CCC[C@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168053574 1383805572 /nfs/dbraw/zinc/80/55/72/1383805572.db2.gz PEPRNIKMEKYHNU-YHELAOLJSA-N 2 0 327.516 3.208 20 0 EGADRP COC(=O)[C@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059465 1383806766 /nfs/dbraw/zinc/80/67/66/1383806766.db2.gz FQKPOYAOKJNQEM-LMMKCTJWSA-N 2 0 344.499 3.313 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168171033 1383833547 /nfs/dbraw/zinc/83/35/47/1383833547.db2.gz UAVSVGAJVKXOOR-AWEZNQCLSA-N 2 0 338.879 3.018 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168290487 1383864171 /nfs/dbraw/zinc/86/41/71/1383864171.db2.gz GBTGBAXJCBSGBM-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)C1CCC(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001168319307 1383871296 /nfs/dbraw/zinc/87/12/96/1383871296.db2.gz RPODSOUQJIGFRH-XBCQCDMNSA-N 2 0 341.543 3.456 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)CC1 ZINC001168324760 1383873060 /nfs/dbraw/zinc/87/30/60/1383873060.db2.gz WRNPTZYKJBXVIU-UHFFFAOYSA-N 2 0 346.397 3.141 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168326612 1383873254 /nfs/dbraw/zinc/87/32/54/1383873254.db2.gz ABRURBGZEWVBIM-UHFFFAOYSA-N 2 0 345.531 3.284 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CNC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168352743 1383880200 /nfs/dbraw/zinc/88/02/00/1383880200.db2.gz BPQIOTZCGXFJPT-OAQYLSRUSA-N 2 0 341.543 3.363 20 0 EGADRP Fc1ccc2c(c1)c1c(n2C2CC[NH+](CC3CC3)CC2)C[NH2+]CC1 ZINC001168394735 1383895255 /nfs/dbraw/zinc/89/52/55/1383895255.db2.gz FMQXIEQDXNOOHA-UHFFFAOYSA-N 2 0 327.447 3.473 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]Cc1cc(C)ccc1C)C(C)C ZINC001168666197 1383964789 /nfs/dbraw/zinc/96/47/89/1383964789.db2.gz ALPSREPERGPARU-HXUWFJFHSA-N 2 0 347.547 3.266 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)C(C)C ZINC001168667395 1383964813 /nfs/dbraw/zinc/96/48/13/1383964813.db2.gz UFOHLVZTKNUQLF-JYHGAKRHSA-N 2 0 345.531 3.162 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168807252 1384014386 /nfs/dbraw/zinc/01/43/86/1384014386.db2.gz NRJAOZZFUFEADN-JKSUJKDBSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1CO ZINC001307951547 1384062003 /nfs/dbraw/zinc/06/20/03/1384062003.db2.gz KMEQGTRAXTZEPE-SIKLNZKXSA-N 2 0 344.543 3.282 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)nnn2C ZINC001308185113 1384106597 /nfs/dbraw/zinc/10/65/97/1384106597.db2.gz XDBZNXOBULLBGP-UHFFFAOYSA-N 2 0 337.471 3.100 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001169109383 1384108249 /nfs/dbraw/zinc/10/82/49/1384108249.db2.gz BOHKHKDELHKRPP-LDLYASANSA-N 2 0 332.463 3.132 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3cccc(Cl)c3)C1)C2 ZINC001169114827 1384108668 /nfs/dbraw/zinc/10/86/68/1384108668.db2.gz ZBHJBRZWDLWSLJ-OKYOBFRVSA-N 2 0 333.907 3.129 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC001308231182 1384111410 /nfs/dbraw/zinc/11/14/10/1384111410.db2.gz SHYFBWQCTOSBNB-QGZVFWFLSA-N 2 0 330.520 3.139 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169139350 1384112404 /nfs/dbraw/zinc/11/24/04/1384112404.db2.gz BGVMFSBODMRJQC-WKCHPHFGSA-N 2 0 327.516 3.208 20 0 EGADRP COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169139303 1384112561 /nfs/dbraw/zinc/11/25/61/1384112561.db2.gz AZYSUIODSJNHIX-AXVVYFOYSA-N 2 0 330.472 3.164 20 0 EGADRP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169141120 1384112983 /nfs/dbraw/zinc/11/29/83/1384112983.db2.gz AALCCYVFCZDZEI-UZLBHIALSA-N 2 0 346.519 3.182 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC001308253035 1384113255 /nfs/dbraw/zinc/11/32/55/1384113255.db2.gz AUZJFMXCOQZXIH-UHFFFAOYSA-N 2 0 335.521 3.044 20 0 EGADRP CC1(C)C[C@@H](Nc2ccccc2Cn2cc[nH+]c2N)C[C@](C)(C[NH3+])C1 ZINC001169154858 1384115926 /nfs/dbraw/zinc/11/59/26/1384115926.db2.gz YYBGOTZQMKWQNY-UZLBHIALSA-N 2 0 341.503 3.469 20 0 EGADRP COc1ccccc1S[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169156706 1384116800 /nfs/dbraw/zinc/11/68/00/1384116800.db2.gz ZLQKBOGZZOGBHB-YYIAUSFCSA-N 2 0 332.513 3.487 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC001308365122 1384122044 /nfs/dbraw/zinc/12/20/44/1384122044.db2.gz CAWBSVUCRNRBNO-ICSRJNTNSA-N 2 0 329.532 3.219 20 0 EGADRP CC[NH+]1CCC(N[C@@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001169242180 1384126545 /nfs/dbraw/zinc/12/65/45/1384126545.db2.gz YDHJLSYXAWZPLW-WYGOJCFESA-N 2 0 333.564 3.207 20 0 EGADRP CC[NH+]1CCC(N2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001169261200 1384129082 /nfs/dbraw/zinc/12/90/82/1384129082.db2.gz CTOUQOLWBJIOQA-NRFANRHFSA-N 2 0 327.516 3.211 20 0 EGADRP CC[NH+]1CCC(N2CCCC3(C[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001169264639 1384129346 /nfs/dbraw/zinc/12/93/46/1384129346.db2.gz OTXPMDVAPVKFIL-UHFFFAOYSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)CC1 ZINC001308608164 1384135953 /nfs/dbraw/zinc/13/59/53/1384135953.db2.gz IHYSNBDMHKOVPP-UHFFFAOYSA-N 2 0 339.886 3.333 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC001308671822 1384141122 /nfs/dbraw/zinc/14/11/22/1384141122.db2.gz KNWASOPTOQGSRW-LSDHHAIUSA-N 2 0 346.462 3.065 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)CC1 ZINC001308709143 1384143913 /nfs/dbraw/zinc/14/39/13/1384143913.db2.gz KJLNERBGUQVQBM-IBGZPJMESA-N 2 0 336.907 3.363 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001169478328 1384151768 /nfs/dbraw/zinc/15/17/68/1384151768.db2.gz PUJHCWTYBFINMN-GOSISDBHSA-N 2 0 345.531 3.230 20 0 EGADRP CCOC(=O)N1CCC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001169659335 1384170176 /nfs/dbraw/zinc/17/01/76/1384170176.db2.gz SNUYWPXLDZFZSV-FCEWJHQRSA-N 2 0 339.524 3.131 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169728058 1384179039 /nfs/dbraw/zinc/17/90/39/1384179039.db2.gz JFQNRIPRXZXESU-FQEVSTJZSA-N 2 0 343.515 3.001 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CCO[C@H](CC)C2)CC1 ZINC001170236218 1384273262 /nfs/dbraw/zinc/27/32/62/1384273262.db2.gz CQDJPODBFQSXOJ-WOJBJXKFSA-N 2 0 339.568 3.074 20 0 EGADRP CC[C@H]1CC([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476095 1384326589 /nfs/dbraw/zinc/32/65/89/1384326589.db2.gz CLRMOMALLYNAIV-LUKYLMHMSA-N 2 0 339.524 3.413 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2C[C@@H]4[C@H](C2)C4(C)C)CC3)cn1 ZINC001170752854 1384379657 /nfs/dbraw/zinc/37/96/57/1384379657.db2.gz KWSVMFGZGVHZDF-LDLYASANSA-N 2 0 342.531 3.285 20 0 EGADRP C[C@H](CCCC[NH2+]CC[C@H](C)F)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769254 1384382538 /nfs/dbraw/zinc/38/25/38/1384382538.db2.gz GNBXSIQMLLMRFI-DLBZAZTESA-N 2 0 343.531 3.264 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cn([C@H]3CCCOCC3)c3ccccc23)CC1 ZINC001170788616 1384385985 /nfs/dbraw/zinc/38/59/85/1384385985.db2.gz SOQRJKGRAXQYHB-IBGZPJMESA-N 2 0 341.499 3.349 20 0 EGADRP [NH3+]C1CC[NH+](CCc2cn([C@@H]3CCCOCC3)c3ccccc23)CC1 ZINC001170788617 1384385998 /nfs/dbraw/zinc/38/59/98/1384385998.db2.gz SOQRJKGRAXQYHB-LJQANCHMSA-N 2 0 341.499 3.349 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170818478 1384391334 /nfs/dbraw/zinc/39/13/34/1384391334.db2.gz SIIBSCUSRAFTFI-FXAWDEMLSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820054 1384391414 /nfs/dbraw/zinc/39/14/14/1384391414.db2.gz WGAAEDORODQPEK-HKUYNNGSSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170867534 1384401368 /nfs/dbraw/zinc/40/13/68/1384401368.db2.gz JUNXDXWHHSWYGW-LJQANCHMSA-N 2 0 333.520 3.356 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)CC[N@@H+]1C ZINC001170870536 1384402059 /nfs/dbraw/zinc/40/20/59/1384402059.db2.gz ISXNSNWXGXSTOK-OKZBNKHCSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CCCC(C)C ZINC001170877470 1384403400 /nfs/dbraw/zinc/40/34/00/1384403400.db2.gz VMXRTUJZMGLXKG-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP C[C@@H]([NH3+])CCNc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001170891281 1384406328 /nfs/dbraw/zinc/40/63/28/1384406328.db2.gz VIPVYDKVQYCFJP-VQIMIIECSA-N 2 0 326.488 3.314 20 0 EGADRP C[N@H+](C1CCOCC1)C1CCN([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171003764 1384427868 /nfs/dbraw/zinc/42/78/68/1384427868.db2.gz XRVRHHPKHYQEEE-IBGZPJMESA-N 2 0 346.490 3.258 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171118067 1384449391 /nfs/dbraw/zinc/44/93/91/1384449391.db2.gz CFOCQEHSKCVMNO-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001171160570 1384457531 /nfs/dbraw/zinc/45/75/31/1384457531.db2.gz GXGQIEFWWJTNEC-UXHICEINSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001171160285 1384457545 /nfs/dbraw/zinc/45/75/45/1384457545.db2.gz FOLBXZYNIAEFKI-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001171160614 1384457621 /nfs/dbraw/zinc/45/76/21/1384457621.db2.gz HLZOTMXUMJLNOC-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC001171173414 1384460413 /nfs/dbraw/zinc/46/04/13/1384460413.db2.gz CESIIKNRFRMZLU-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001171235020 1384475898 /nfs/dbraw/zinc/47/58/98/1384475898.db2.gz BUXNENYKQCWUBE-GOSISDBHSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237505 1384476500 /nfs/dbraw/zinc/47/65/00/1384476500.db2.gz QNTNHQWKTJDRDU-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171236516 1384476636 /nfs/dbraw/zinc/47/66/36/1384476636.db2.gz NGICEQQOODSRPA-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171247740 1384477751 /nfs/dbraw/zinc/47/77/51/1384477751.db2.gz NUYAEOJERRGCII-FXAWDEMLSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248649 1384478109 /nfs/dbraw/zinc/47/81/09/1384478109.db2.gz WWXSDLZWZVLUPF-QFBILLFUSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171248358 1384478368 /nfs/dbraw/zinc/47/83/68/1384478368.db2.gz TULRUSGHGXPWSR-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171248361 1384478479 /nfs/dbraw/zinc/47/84/79/1384478479.db2.gz TUXBQAWLDMEOSW-JSMQFAGNSA-N 2 0 343.943 3.266 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248953 1384478992 /nfs/dbraw/zinc/47/89/92/1384478992.db2.gz ZHWSPRFNRKQZFU-APWZRJJASA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254459 1384479943 /nfs/dbraw/zinc/47/99/43/1384479943.db2.gz RMBZJJJVKJQUGG-MSOLQXFVSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)Cc1cc(OC)ccc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171327827 1384495713 /nfs/dbraw/zinc/49/57/13/1384495713.db2.gz MMSGEPVXWYFTBV-UHFFFAOYSA-N 2 0 338.455 3.335 20 0 EGADRP CC[NH+](CC)Cc1cc(-n2cc3ccc(C[NH3+])cc3n2)ccc1OC ZINC001171326850 1384495790 /nfs/dbraw/zinc/49/57/90/1384495790.db2.gz GXMXDOCTFRHLGJ-UHFFFAOYSA-N 2 0 338.455 3.335 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330310 1384496156 /nfs/dbraw/zinc/49/61/56/1384496156.db2.gz SNELGAPURSMYPZ-ROUUACIJSA-N 2 0 325.541 3.316 20 0 EGADRP Fc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001171412042 1384516176 /nfs/dbraw/zinc/51/61/76/1384516176.db2.gz RLNKTBNXPFVHPU-IBGZPJMESA-N 2 0 346.490 3.164 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171499024 1384542839 /nfs/dbraw/zinc/54/28/39/1384542839.db2.gz JOJDGIGRKRODJZ-QGZVFWFLSA-N 2 0 343.421 3.348 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171545689 1384558759 /nfs/dbraw/zinc/55/87/59/1384558759.db2.gz FWCPBUKWPIVKDT-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171547490 1384559563 /nfs/dbraw/zinc/55/95/63/1384559563.db2.gz SKNZSLWYZYILTC-PKOBYXMFSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH+]1CCC([NH3+])(Cc3cccnc3)CC1)C2 ZINC001171558533 1384562351 /nfs/dbraw/zinc/56/23/51/1384562351.db2.gz LDTJETVOZCQMNA-FQEVSTJZSA-N 2 0 335.495 3.283 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC[NH3+])C[C@@H]1C(C)(C)C ZINC001171582896 1384571744 /nfs/dbraw/zinc/57/17/44/1384571744.db2.gz URCZZGKEHPGBSE-LSDHHAIUSA-N 2 0 327.513 3.129 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586263 1384572586 /nfs/dbraw/zinc/57/25/86/1384572586.db2.gz KMROLQQZQMHZTN-OAGJVSPASA-N 2 0 325.541 3.338 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@H]1C(C)(C)C ZINC001171601717 1384576657 /nfs/dbraw/zinc/57/66/57/1384576657.db2.gz KYHWAYVMGUOAMW-QXSJWSMHSA-N 2 0 339.524 3.270 20 0 EGADRP Cn1c2ccccc2nc1CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620167 1384582271 /nfs/dbraw/zinc/58/22/71/1384582271.db2.gz WKXMZQVDDGHOFH-UHFFFAOYSA-N 2 0 328.504 3.357 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CCN(c3cccnc3)CC2)CC1(C)C ZINC001171625107 1384583662 /nfs/dbraw/zinc/58/36/62/1384583662.db2.gz CAXBPTUWZKZVOC-UHFFFAOYSA-N 2 0 330.520 3.291 20 0 EGADRP C[NH+]1C(C)(C)CC([NH+]2CCC(NC(=O)C3CCC3)CC2)CC1(C)C ZINC001171638472 1384588308 /nfs/dbraw/zinc/58/83/08/1384588308.db2.gz YWSKHGWHZYBCJD-UHFFFAOYSA-N 2 0 335.536 3.019 20 0 EGADRP Cc1cnccc1O[C@@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641908 1384589399 /nfs/dbraw/zinc/58/93/99/1384589399.db2.gz VSPAPZFTUMCXHT-QGZVFWFLSA-N 2 0 331.504 3.495 20 0 EGADRP COc1cccnc1O[C@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171640566 1384589641 /nfs/dbraw/zinc/58/96/41/1384589641.db2.gz FJNXZMTZFVAPCI-INIZCTEOSA-N 2 0 347.503 3.195 20 0 EGADRP Cc1ccc(CC[C@H](C)[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001171682213 1384601079 /nfs/dbraw/zinc/60/10/79/1384601079.db2.gz SMBCWTDPSHBRTR-FQEVSTJZSA-N 2 0 343.559 3.276 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171685758 1384602530 /nfs/dbraw/zinc/60/25/30/1384602530.db2.gz ZWBLMFRJTOSSQS-CVEARBPZSA-N 2 0 330.476 3.259 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001171732086 1384618420 /nfs/dbraw/zinc/61/84/20/1384618420.db2.gz UNTQUGLMXCDCDW-SFHVURJKSA-N 2 0 333.520 3.192 20 0 EGADRP C[C@H]1C[C@H](n2cc(CC[NH3+])c3ncccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732877 1384618635 /nfs/dbraw/zinc/61/86/35/1384618635.db2.gz MCRXPFPOFQVGRH-LPHOPBHVSA-N 2 0 334.467 3.373 20 0 EGADRP C[C@H]1C[C@H](n2nc(CC[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171733502 1384619242 /nfs/dbraw/zinc/61/92/42/1384619242.db2.gz UFGMENNNUUDPOI-WMZOPIPTSA-N 2 0 334.467 3.373 20 0 EGADRP Fc1cccc2c1C[C@H]([NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001171804972 1384643186 /nfs/dbraw/zinc/64/31/86/1384643186.db2.gz IVQFJWROXFXERI-VAMGGRTRSA-N 2 0 336.454 3.357 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812251 1384646816 /nfs/dbraw/zinc/64/68/16/1384646816.db2.gz NLGBCHRKCUSCLW-OAHLLOKOSA-N 2 0 328.460 3.013 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C)([NH3+])CC2)CC12CCC2 ZINC001171837784 1384657330 /nfs/dbraw/zinc/65/73/30/1384657330.db2.gz IIRGCLOSRQHGKE-HNNXBMFYSA-N 2 0 337.508 3.122 20 0 EGADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171960452 1384696545 /nfs/dbraw/zinc/69/65/45/1384696545.db2.gz ZRVCEUVIKAZCJH-HNNXBMFYSA-N 2 0 345.453 3.239 20 0 EGADRP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171964327 1384697347 /nfs/dbraw/zinc/69/73/47/1384697347.db2.gz MOBNSGNLGLYHFI-CQSZACIVSA-N 2 0 344.421 3.466 20 0 EGADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)N(CC[NH+](C)C)CC[NH+](C)C ZINC001171972845 1384699346 /nfs/dbraw/zinc/69/93/46/1384699346.db2.gz CWVBNFDCBCGFDX-OAHLLOKOSA-N 2 0 345.453 3.062 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977694 1384702092 /nfs/dbraw/zinc/70/20/92/1384702092.db2.gz UBWCGEMFHSZJPH-MOPGFXCFSA-N 2 0 344.499 3.315 20 0 EGADRP C[NH+](C)[C@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985528 1384704655 /nfs/dbraw/zinc/70/46/55/1384704655.db2.gz XRMDDHDBWIUWIS-UXHICEINSA-N 2 0 329.532 3.456 20 0 EGADRP COC(=O)[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067777 1384715691 /nfs/dbraw/zinc/71/56/91/1384715691.db2.gz FPETYVIDVDTSDC-HAGHYFMRSA-N 2 0 342.483 3.067 20 0 EGADRP COC(=O)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067844 1384716116 /nfs/dbraw/zinc/71/61/16/1384716116.db2.gz OETNDNGTLVOIGD-REPLKXPHSA-N 2 0 330.472 3.115 20 0 EGADRP O[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172072355 1384718451 /nfs/dbraw/zinc/71/84/51/1384718451.db2.gz LGTDCWHWTRHQBX-JRSUCEMESA-N 2 0 328.500 3.465 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001316955722 1384727068 /nfs/dbraw/zinc/72/70/68/1384727068.db2.gz VORMXQGSNCGTRG-FQEVSTJZSA-N 2 0 345.531 3.232 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172113046 1384731364 /nfs/dbraw/zinc/73/13/64/1384731364.db2.gz FNULHGLTJDNBNN-WKCHPHFGSA-N 3 0 333.564 3.494 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccnc3)CCOCC1)C2 ZINC001172113476 1384731523 /nfs/dbraw/zinc/73/15/23/1384731523.db2.gz HOAPFVDDVGVNSI-ACDBMABISA-N 2 0 343.515 3.026 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172121288 1384734930 /nfs/dbraw/zinc/73/49/30/1384734930.db2.gz DGUOBMKSXSMFFM-WJMWBRGCSA-N 2 0 327.516 3.381 20 0 EGADRP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172123603 1384735170 /nfs/dbraw/zinc/73/51/70/1384735170.db2.gz HCQSGJIHMPTVPL-JONQDZQNSA-N 2 0 348.560 3.074 20 0 EGADRP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172130421 1384737477 /nfs/dbraw/zinc/73/74/77/1384737477.db2.gz PBFIOCKENPIRHD-ZRNYENFQSA-N 2 0 348.531 3.447 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CSc3ccccc3C2)cc1 ZINC001172183329 1384742936 /nfs/dbraw/zinc/74/29/36/1384742936.db2.gz CHLDWIXAEUHBFS-SFHVURJKSA-N 2 0 342.508 3.434 20 0 EGADRP c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CS2 ZINC001172198251 1384745865 /nfs/dbraw/zinc/74/58/65/1384745865.db2.gz OQRZIZYMWFYSLQ-SFHVURJKSA-N 2 0 346.540 3.184 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC001172230628 1384752859 /nfs/dbraw/zinc/75/28/59/1384752859.db2.gz FJXFXCUDNFWYDQ-OTYNDTSQSA-N 2 0 326.484 3.294 20 0 EGADRP COCCC[NH+]1CCC(N2CCC[C@H]([NH3+])c3cc(C)ccc32)CC1 ZINC001172246554 1384754864 /nfs/dbraw/zinc/75/48/64/1384754864.db2.gz NKEAYABGIRDQBR-IBGZPJMESA-N 2 0 331.504 3.096 20 0 EGADRP COCCC[NH+]1CCC(n2c(C)c(C)c3cc(C[NH3+])ccc32)CC1 ZINC001172244761 1384755012 /nfs/dbraw/zinc/75/50/12/1384755012.db2.gz XJAAGCAQWAKCMS-UHFFFAOYSA-N 2 0 329.488 3.390 20 0 EGADRP COCCC[NH+]1CCC(n2cc(CCC[NH3+])c3ccccc32)CC1 ZINC001172244655 1384755026 /nfs/dbraw/zinc/75/50/26/1384755026.db2.gz GQXYMMJEWADNJJ-UHFFFAOYSA-N 2 0 329.488 3.206 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC(C)(C)Cc2cccc(F)c2)CC1 ZINC001172248655 1384756058 /nfs/dbraw/zinc/75/60/58/1384756058.db2.gz LNLGPHNNZXFHPP-UHFFFAOYSA-N 2 0 336.495 3.485 20 0 EGADRP CC[C@@H](CC(C)C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001172399387 1384784167 /nfs/dbraw/zinc/78/41/67/1384784167.db2.gz GQZPAMULPPDYFF-SFHVURJKSA-N 2 0 348.535 3.114 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H](C)CCOC(C)C)CC1 ZINC001172455186 1384796284 /nfs/dbraw/zinc/79/62/84/1384796284.db2.gz RDRORANLILMZRG-HXUWFJFHSA-N 2 0 341.584 3.320 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001172609125 1384818458 /nfs/dbraw/zinc/81/84/58/1384818458.db2.gz FCQUVYRQHGVYJK-ZHALLVOQSA-N 2 0 334.504 3.129 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001172621763 1384820901 /nfs/dbraw/zinc/82/09/01/1384820901.db2.gz GKEIUDNTTUAJIG-ZWKOTPCHSA-N 2 0 334.504 3.059 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172663242 1384829039 /nfs/dbraw/zinc/82/90/39/1384829039.db2.gz AVKLVSUWVFUQTF-AZUAARDMSA-N 2 0 345.531 3.278 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1)CC(C)(C)CC[NH3+] ZINC001172664412 1384829827 /nfs/dbraw/zinc/82/98/27/1384829827.db2.gz ODPULWABRQYKNO-MJGOQNOKSA-N 2 0 345.531 3.168 20 0 EGADRP C[N@@H+]1CCCN(CC[NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172820593 1384858922 /nfs/dbraw/zinc/85/89/22/1384858922.db2.gz YFTFEJBEKIHTKM-UHFFFAOYSA-N 2 0 329.532 3.015 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172960000 1384890222 /nfs/dbraw/zinc/89/02/22/1384890222.db2.gz JKMICOWRYODYFA-OAGGEKHMSA-N 2 0 327.513 3.094 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CCCCCCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173052206 1384901846 /nfs/dbraw/zinc/90/18/46/1384901846.db2.gz DLSCDVCJDLCAHF-HZPDHXFCSA-N 2 0 327.513 3.273 20 0 EGADRP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173089540 1384911679 /nfs/dbraw/zinc/91/16/79/1384911679.db2.gz YGRILLYMZJEREI-YSVLISHTSA-N 2 0 342.405 3.400 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCc2ccc(C(=O)OC)cc2)CC1 ZINC001173106687 1384916176 /nfs/dbraw/zinc/91/61/76/1384916176.db2.gz BJHXEIYOYAYPBA-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)CC1 ZINC001173110780 1384917170 /nfs/dbraw/zinc/91/71/70/1384917170.db2.gz XPGUAMUGAAWORF-UHYCVJNDSA-N 2 0 341.499 3.152 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H](Oc3nccnc3C)C2)CC1 ZINC001173114067 1384917453 /nfs/dbraw/zinc/91/74/53/1384917453.db2.gz UTVJHUCGXYUDMP-ACBHZAAOSA-N 2 0 346.519 3.281 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC3(CC[C@H]3[NH+](C)Cc3ccco3)CC2)C1 ZINC001173364966 1384964672 /nfs/dbraw/zinc/96/46/72/1384964672.db2.gz WBAZZDXVFNHDKL-IEBWSBKVSA-N 2 0 331.504 3.050 20 0 EGADRP CC(C)N1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173410168 1384967368 /nfs/dbraw/zinc/96/73/68/1384967368.db2.gz AXJWFOQVVLAVCG-SFHVURJKSA-N 2 0 349.906 3.017 20 0 EGADRP COC(=O)CCCC[C@@H](C)N(c1cc[nH+]cc1C)C1CC[NH2+]CC1 ZINC001173456654 1384974079 /nfs/dbraw/zinc/97/40/79/1384974079.db2.gz DQEFKTNPIOJICP-MRXNPFEDSA-N 2 0 333.476 3.070 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC3(CC[NH+](C)CC3)CC1)CC2 ZINC001173618754 1384989365 /nfs/dbraw/zinc/98/93/65/1384989365.db2.gz AMUHFYWZGULAJK-IDYZSHNDSA-N 2 0 348.531 3.306 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001173630647 1384992241 /nfs/dbraw/zinc/99/22/41/1384992241.db2.gz AKNOTHNPHDFNLF-RTBURBONSA-N 2 0 344.499 3.144 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001317356771 1385102454 /nfs/dbraw/zinc/10/24/54/1385102454.db2.gz OPGUHHFCCWBKCY-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905242 1385168269 /nfs/dbraw/zinc/16/82/69/1385168269.db2.gz JDOPIGIEHFWZEO-BZSNNMDCSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949445 1385173396 /nfs/dbraw/zinc/17/33/96/1385173396.db2.gz RGKDCBLUEQMVBG-KRWDZBQOSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCC[NH+](C)C ZINC001174950204 1385173433 /nfs/dbraw/zinc/17/34/33/1385173433.db2.gz WQYSJSHCCZMPBQ-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001174963000 1385175543 /nfs/dbraw/zinc/17/55/43/1385175543.db2.gz WROWMRGCOAMONT-YLJYHZDGSA-N 2 0 345.531 3.280 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CCC1CC1 ZINC001317484656 1385181827 /nfs/dbraw/zinc/18/18/27/1385181827.db2.gz RQPLLZMYFHFMHF-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042965 1385185780 /nfs/dbraw/zinc/18/57/80/1385185780.db2.gz YHUPCORLJKAIKP-HPFMTEOYSA-N 2 0 337.552 3.339 20 0 EGADRP CC[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1ccccc1 ZINC001175047650 1385186100 /nfs/dbraw/zinc/18/61/00/1385186100.db2.gz ABWJAXXAYRLOKD-PKOBYXMFSA-N 2 0 333.520 3.354 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001175049001 1385186204 /nfs/dbraw/zinc/18/62/04/1385186204.db2.gz MYYLUHMYSISLKU-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1cccc(CCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175049329 1385186549 /nfs/dbraw/zinc/18/65/49/1385186549.db2.gz TUIMPOXNCPYNIZ-IBGZPJMESA-N 2 0 347.547 3.144 20 0 EGADRP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c(C)s1 ZINC001175056928 1385187655 /nfs/dbraw/zinc/18/76/55/1385187655.db2.gz QZFZSXDDRHUNHP-AWEZNQCLSA-N 2 0 339.549 3.081 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001175108214 1385196137 /nfs/dbraw/zinc/19/61/37/1385196137.db2.gz RTNDALOPMDPIKJ-PKOBYXMFSA-N 2 0 339.568 3.418 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175297811 1385242483 /nfs/dbraw/zinc/24/24/83/1385242483.db2.gz XEUOOWXPSMBLBP-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP CCCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001317555892 1385324011 /nfs/dbraw/zinc/32/40/11/1385324011.db2.gz YLYJTTXAOTWZHN-LJQANCHMSA-N 2 0 335.536 3.164 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176023411 1385463674 /nfs/dbraw/zinc/46/36/74/1385463674.db2.gz HNIJGMTYVQTVHB-GIFJBRJJSA-N 2 0 325.541 3.339 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001176193077 1385508234 /nfs/dbraw/zinc/50/82/34/1385508234.db2.gz RMMTUWJGKIVBCR-ZWKOTPCHSA-N 2 0 343.515 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1CC ZINC001176279971 1385537165 /nfs/dbraw/zinc/53/71/65/1385537165.db2.gz URMAUTWQLHAMCK-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176286037 1385539685 /nfs/dbraw/zinc/53/96/85/1385539685.db2.gz SMFSYWIPPSZVSI-PXNSSMCTSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001317856907 1385542145 /nfs/dbraw/zinc/54/21/45/1385542145.db2.gz KPXXQRNXOHUKRS-QUCCMNQESA-N 2 0 345.531 3.260 20 0 EGADRP CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317862108 1385547365 /nfs/dbraw/zinc/54/73/65/1385547365.db2.gz GRTJWICYRXARRG-UXHICEINSA-N 2 0 345.531 3.086 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+]CCC1=CCCCC1 ZINC001176317799 1385550026 /nfs/dbraw/zinc/55/00/26/1385550026.db2.gz HDWCPWNKWZITRV-UHFFFAOYSA-N 2 0 335.536 3.239 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318905 1385550300 /nfs/dbraw/zinc/55/03/00/1385550300.db2.gz POTOZAZOYOCCRZ-LJQANCHMSA-N 2 0 345.531 3.418 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001176564341 1385626159 /nfs/dbraw/zinc/62/61/59/1385626159.db2.gz OJMBRUVQECVOTO-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563963 1385626449 /nfs/dbraw/zinc/62/64/49/1385626449.db2.gz IWJWQTIAGLUPIZ-MOPGFXCFSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001176564857 1385626643 /nfs/dbraw/zinc/62/66/43/1385626643.db2.gz SAGWSCMUKYGUAP-RBUKOAKNSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001176581828 1385631076 /nfs/dbraw/zinc/63/10/76/1385631076.db2.gz CDQQNWXMWUYWIJ-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001176582562 1385631795 /nfs/dbraw/zinc/63/17/95/1385631795.db2.gz HPEOJZKDIGTTLC-FXAWDEMLSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815235 1385711861 /nfs/dbraw/zinc/71/18/61/1385711861.db2.gz OLECPHKYPNIQHA-LJQANCHMSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815284 1385711917 /nfs/dbraw/zinc/71/19/17/1385711917.db2.gz PCBQOSQEMBALEJ-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001318483642 1385714887 /nfs/dbraw/zinc/71/48/87/1385714887.db2.gz GHJLCPWKNFHZML-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176857653 1385725559 /nfs/dbraw/zinc/72/55/59/1385725559.db2.gz YACKYEKEKOBUIW-IAGOWNOFSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001176879766 1385730143 /nfs/dbraw/zinc/73/01/43/1385730143.db2.gz KFOLYPYMNUVPLB-UHFFFAOYSA-N 2 0 345.531 3.084 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001176938639 1385748405 /nfs/dbraw/zinc/74/84/05/1385748405.db2.gz SWLROBDPDUDIKS-IBGZPJMESA-N 2 0 349.494 3.249 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176996815 1385768440 /nfs/dbraw/zinc/76/84/40/1385768440.db2.gz FOVGWVFHRNKTCT-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]CC2CCCCC2)o1 ZINC001177317800 1385912453 /nfs/dbraw/zinc/91/24/53/1385912453.db2.gz GMCXUHUWXHDYPA-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001177330546 1385916591 /nfs/dbraw/zinc/91/65/91/1385916591.db2.gz DBPMHUCYTBVZCC-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001177360236 1385928903 /nfs/dbraw/zinc/92/89/03/1385928903.db2.gz JQOOUOVMXNKONQ-UHFFFAOYSA-N 2 0 342.487 3.356 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001177415793 1385948855 /nfs/dbraw/zinc/94/88/55/1385948855.db2.gz LQSWGFDIUFXERI-GOSISDBHSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177463028 1385965148 /nfs/dbraw/zinc/96/51/48/1385965148.db2.gz KYNOYQQPSHHKOT-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC001319130813 1385970205 /nfs/dbraw/zinc/97/02/05/1385970205.db2.gz MRTIUHPPNLEGDD-UHFFFAOYSA-N 2 0 332.451 3.437 20 0 EGADRP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177477842 1385971979 /nfs/dbraw/zinc/97/19/79/1385971979.db2.gz NGVUXMXRENKSQS-DPZZJQGRSA-N 2 0 349.563 3.293 20 0 EGADRP CC1CC(C[NH2+]CCCN(CC2CCCC2)C(=O)C[NH+]2CCCC2)C1 ZINC001177484912 1385974589 /nfs/dbraw/zinc/97/45/89/1385974589.db2.gz NCESUDULGSKSFX-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319186955 1385998158 /nfs/dbraw/zinc/99/81/58/1385998158.db2.gz ZUCDMWWURRCINV-OXJNMPFZSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319186953 1385998381 /nfs/dbraw/zinc/99/83/81/1385998381.db2.gz ZUCDMWWURRCINV-JXFKEZNVSA-N 2 0 345.531 3.018 20 0 EGADRP COc1ccc2c(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC001319199058 1386003431 /nfs/dbraw/zinc/00/34/31/1386003431.db2.gz NOPCCADOPKSFTG-UYAOXDASSA-N 2 0 341.455 3.299 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001319228602 1386015217 /nfs/dbraw/zinc/01/52/17/1386015217.db2.gz IZSHTEOTCVNZKD-MJGOQNOKSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178472485 1386227849 /nfs/dbraw/zinc/22/78/49/1386227849.db2.gz WFWJHVZLNCGUNF-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178618133 1386263290 /nfs/dbraw/zinc/26/32/90/1386263290.db2.gz SICAFPISHGZBFK-GOSISDBHSA-N 2 0 345.547 3.369 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001178688535 1386278119 /nfs/dbraw/zinc/27/81/19/1386278119.db2.gz LNPZXKQYZFIYIE-LJQANCHMSA-N 2 0 337.552 3.031 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178729354 1386291483 /nfs/dbraw/zinc/29/14/83/1386291483.db2.gz VHBKJEBNACILQT-VZSQWMKGSA-N 2 0 337.552 3.483 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808903 1386312988 /nfs/dbraw/zinc/31/29/88/1386312988.db2.gz YIZDAFOJARGYDE-UHFFFAOYSA-N 2 0 337.552 3.319 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178915198 1386346759 /nfs/dbraw/zinc/34/67/59/1386346759.db2.gz AWWAEVHGAVTPRS-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239216 1386428812 /nfs/dbraw/zinc/42/88/12/1386428812.db2.gz XBPIFUTZOUYUFF-WMZOPIPTSA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388777 1386472364 /nfs/dbraw/zinc/47/23/64/1386472364.db2.gz QVFKZZLIAARWBU-KDHUBKHVSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179392774 1386472700 /nfs/dbraw/zinc/47/27/00/1386472700.db2.gz KHFYBGLAROYXMH-SREVYHEPSA-N 2 0 337.552 3.341 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)c1 ZINC001179400695 1386475082 /nfs/dbraw/zinc/47/50/82/1386475082.db2.gz RWGIYQSRYLWKNC-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461709 1386487719 /nfs/dbraw/zinc/48/77/19/1386487719.db2.gz XXXUJBFTZUAFAI-AATRIKPKSA-N 2 0 337.552 3.341 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1Cl ZINC001179461595 1386488012 /nfs/dbraw/zinc/48/80/12/1386488012.db2.gz RLWXLJDYHDZNJH-UHFFFAOYSA-N 2 0 339.911 3.058 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)[NH+](CC)CC ZINC001179564873 1386515775 /nfs/dbraw/zinc/51/57/75/1386515775.db2.gz IZTXJFAULQFAFS-LPQFERQCSA-N 2 0 331.932 3.126 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001179580983 1386522166 /nfs/dbraw/zinc/52/21/66/1386522166.db2.gz YWLAYAKMVMDHQC-KRWDZBQOSA-N 2 0 349.494 3.076 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179580810 1386522200 /nfs/dbraw/zinc/52/22/00/1386522200.db2.gz QWUUPSJCDSCBSX-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001179580754 1386522566 /nfs/dbraw/zinc/52/25/66/1386522566.db2.gz OYHULMGWNFFZCM-KRWDZBQOSA-N 2 0 349.494 3.076 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1 ZINC001179585089 1386523592 /nfs/dbraw/zinc/52/35/92/1386523592.db2.gz CGQSYTGFRGHCIP-KRWDZBQOSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001179586560 1386523941 /nfs/dbraw/zinc/52/39/41/1386523941.db2.gz QHPOFESKZRHFHM-GOSISDBHSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001179591061 1386525790 /nfs/dbraw/zinc/52/57/90/1386525790.db2.gz OCPKSRJIPZCNSW-UHFFFAOYSA-N 2 0 333.520 3.079 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001179609075 1386530629 /nfs/dbraw/zinc/53/06/29/1386530629.db2.gz FQRFVALVFVKZQD-LFDGNKEFSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001179746268 1386570102 /nfs/dbraw/zinc/57/01/02/1386570102.db2.gz SJWZLBRIUOQFPG-QXLXQBSBSA-N 2 0 343.943 3.268 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001179746502 1386570752 /nfs/dbraw/zinc/57/07/52/1386570752.db2.gz VTFNPCVAIDSSFI-LJQANCHMSA-N 2 0 337.552 3.483 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001179749500 1386571659 /nfs/dbraw/zinc/57/16/59/1386571659.db2.gz HNDKUGIFJHJXRK-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179777043 1386581859 /nfs/dbraw/zinc/58/18/59/1386581859.db2.gz NVUIVVQEXGRUPF-QGZVFWFLSA-N 2 0 348.535 3.435 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788145 1386585635 /nfs/dbraw/zinc/58/56/35/1386585635.db2.gz OERLNLRHYRRRQN-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788151 1386585756 /nfs/dbraw/zinc/58/57/56/1386585756.db2.gz OLRQNURTHDTPOQ-VQTJNVASSA-N 2 0 349.563 3.460 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001179971920 1386653861 /nfs/dbraw/zinc/65/38/61/1386653861.db2.gz DXIFKSUGHIOFQQ-BJLQDIEVSA-N 2 0 345.531 3.367 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2)[C@@H]1C ZINC001179978968 1386656635 /nfs/dbraw/zinc/65/66/35/1386656635.db2.gz NWDQNIKUNZSZPB-SXLOBPIMSA-N 2 0 345.531 3.449 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179989244 1386660099 /nfs/dbraw/zinc/66/00/99/1386660099.db2.gz VVHYTLXZIZNGNO-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CCc1ccc(C)cc1 ZINC001179988767 1386660145 /nfs/dbraw/zinc/66/01/45/1386660145.db2.gz MJBNGDNEKFRIHQ-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180060553 1386683881 /nfs/dbraw/zinc/68/38/81/1386683881.db2.gz HGEAJGGDXKCCQU-SFHVURJKSA-N 2 0 325.541 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001180123241 1386703968 /nfs/dbraw/zinc/70/39/68/1386703968.db2.gz CEMDUJJXLYVQJD-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCC ZINC001180123562 1386704277 /nfs/dbraw/zinc/70/42/77/1386704277.db2.gz HNMQKLFXKUIGSS-BQYQJAHWSA-N 2 0 325.541 3.341 20 0 EGADRP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001180310419 1386760929 /nfs/dbraw/zinc/76/09/29/1386760929.db2.gz GZABXPDMUSZAML-WMLDXEAASA-N 2 0 344.421 3.464 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320929540 1386761637 /nfs/dbraw/zinc/76/16/37/1386761637.db2.gz RFMZIZLACGATTA-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCCCCC[NH2+]CCCCCF ZINC001180356474 1386773192 /nfs/dbraw/zinc/77/31/92/1386773192.db2.gz ALTWBNHOMYOFGO-UHFFFAOYSA-N 2 0 343.531 3.268 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001181476810 1387001641 /nfs/dbraw/zinc/00/16/41/1387001641.db2.gz OHGYHTDVIJFSTM-WIYYLYMNSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@]1(C)C[NH2+]CCCC1CCC1 ZINC001181746577 1387049406 /nfs/dbraw/zinc/04/94/06/1387049406.db2.gz QMHLQEGEDMPZBA-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755231 1387050590 /nfs/dbraw/zinc/05/05/90/1387050590.db2.gz KRUXVFVKOSWFRS-NJJDNEPXSA-N 2 0 349.563 3.147 20 0 EGADRP CC(C)N(C(=O)CC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C[NH3+] ZINC001182044725 1387098079 /nfs/dbraw/zinc/09/80/79/1387098079.db2.gz GZMFZAKTRYDVCR-UHFFFAOYSA-N 2 0 345.531 3.263 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC001182234493 1387127719 /nfs/dbraw/zinc/12/77/19/1387127719.db2.gz MVXSPMDAGXQZSB-FQEVSTJZSA-N 2 0 343.515 3.156 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001322338959 1387163183 /nfs/dbraw/zinc/16/31/83/1387163183.db2.gz PKQVUAXEGDTLJC-UYAOXDASSA-N 2 0 349.563 3.316 20 0 EGADRP COC(=O)CC1CC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001329375137 1389081226 /nfs/dbraw/zinc/08/12/26/1389081226.db2.gz JQRDHSQGCGIHHL-UHFFFAOYSA-N 2 0 344.499 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1cccc2ccccc21 ZINC001329590815 1389170346 /nfs/dbraw/zinc/17/03/46/1389170346.db2.gz YOSLYCDSWSQZID-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001329622364 1389188036 /nfs/dbraw/zinc/18/80/36/1389188036.db2.gz DAEUZLNCVBCRQI-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC001330084646 1389303612 /nfs/dbraw/zinc/30/36/12/1389303612.db2.gz IOAXMZHKXGEASF-DBVUQKKJSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@]([NH3+])(C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC001330992132 1389590014 /nfs/dbraw/zinc/59/00/14/1389590014.db2.gz UVLQYFVBUNAKBP-OAQYLSRUSA-N 2 0 337.467 3.485 20 0 EGADRP O=C(CC[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc(Cl)c1 ZINC001338522119 1389699719 /nfs/dbraw/zinc/69/97/19/1389699719.db2.gz TYMAJBXWAAYKMH-INIZCTEOSA-N 2 0 349.906 3.380 20 0 EGADRP C[C@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001331916147 1389909387 /nfs/dbraw/zinc/90/93/87/1389909387.db2.gz DCWGCMKWDOCKMG-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC001332093408 1389979569 /nfs/dbraw/zinc/97/95/69/1389979569.db2.gz JUSRMXWJAJGOKO-LAUBAEHRSA-N 2 0 343.515 3.067 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001332220138 1390052251 /nfs/dbraw/zinc/05/22/51/1390052251.db2.gz SSTWPABJJPQYBT-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001332299303 1390079320 /nfs/dbraw/zinc/07/93/20/1390079320.db2.gz KEXKCNFSLVNFAE-ROUUACIJSA-N 2 0 333.545 3.202 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC001340049077 1390215684 /nfs/dbraw/zinc/21/56/84/1390215684.db2.gz LSTAZNFZNUSYMK-IAGOWNOFSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]([NH3+])C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001340428776 1390287503 /nfs/dbraw/zinc/28/75/03/1390287503.db2.gz KIYROVDEEJCGSV-BHIYHBOVSA-N 2 0 345.531 3.167 20 0 EGADRP FC(F)(F)Oc1cccc(CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001333657899 1390367411 /nfs/dbraw/zinc/36/74/11/1390367411.db2.gz JHOWMVJMGKRZQW-CQSZACIVSA-N 2 0 328.378 3.202 20 0 EGADRP CC(C)(C(=O)N1C[C@H](CC[NH3+])c2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC001341526972 1390498400 /nfs/dbraw/zinc/49/84/00/1390498400.db2.gz SOYLHXAQEVEXHN-LPHOPBHVSA-N 2 0 337.467 3.192 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001341699206 1390518734 /nfs/dbraw/zinc/51/87/34/1390518734.db2.gz DMZPITLCXDOEFX-BHIYHBOVSA-N 2 0 345.531 3.261 20 0 EGADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001343153892 1390695594 /nfs/dbraw/zinc/69/55/94/1390695594.db2.gz LFMLTMFCRJTEJU-QGZVFWFLSA-N 2 0 331.504 3.458 20 0 EGADRP O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001343532580 1390720773 /nfs/dbraw/zinc/72/07/73/1390720773.db2.gz IZKPTIIAQLYXSC-CVEARBPZSA-N 2 0 332.444 3.049 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccncc1 ZINC001344428686 1390790808 /nfs/dbraw/zinc/79/08/08/1390790808.db2.gz ALNKMDUDWIOZIP-OAQYLSRUSA-N 2 0 338.499 3.070 20 0 EGADRP Clc1cnn(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)c1 ZINC001348902396 1391281608 /nfs/dbraw/zinc/28/16/08/1391281608.db2.gz KACMTYQZFVCUDI-UHFFFAOYSA-N 2 0 336.892 3.081 20 0 EGADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC001353527621 1392031906 /nfs/dbraw/zinc/03/19/06/1392031906.db2.gz WHCCYBXPCLNMBZ-RHSMWYFYSA-N 2 0 349.544 3.246 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001479891859 1392462038 /nfs/dbraw/zinc/46/20/38/1392462038.db2.gz FOCPFWBPSDKDFE-TVPLGVNVSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001479980618 1392514537 /nfs/dbraw/zinc/51/45/37/1392514537.db2.gz IRYNHDCGROFYRF-MSOLQXFVSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCC2)CCCCC1 ZINC001480323484 1392683300 /nfs/dbraw/zinc/68/33/00/1392683300.db2.gz LRUMOVQTFJUJFY-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCc1ccc(C[N@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001480920644 1393020625 /nfs/dbraw/zinc/02/06/25/1393020625.db2.gz WBDXUBQBHCLMHA-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001481286833 1393158637 /nfs/dbraw/zinc/15/86/37/1393158637.db2.gz CLHVDYKMBRTVOI-WOJBJXKFSA-N 2 0 345.531 3.449 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001481339412 1393167378 /nfs/dbraw/zinc/16/73/78/1393167378.db2.gz KNPZWBGXUGYKSF-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001490623141 1394287063 /nfs/dbraw/zinc/28/70/63/1394287063.db2.gz JEFRAOHNHRNJEY-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481500218 1394347258 /nfs/dbraw/zinc/34/72/58/1394347258.db2.gz DXXKLUAMVBYELO-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491110064 1394431494 /nfs/dbraw/zinc/43/14/94/1394431494.db2.gz CQDMLNPQNGMVBA-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001491273332 1394500376 /nfs/dbraw/zinc/50/03/76/1394500376.db2.gz GUXPSLNAUXPYKN-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccc(C[NH2+]C2CCC(NC(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001491360539 1394512165 /nfs/dbraw/zinc/51/21/65/1394512165.db2.gz GAFMVFSCYYBFBD-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001481773449 1394518021 /nfs/dbraw/zinc/51/80/21/1394518021.db2.gz VNWRPMRWGNIKBC-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001481773448 1394518084 /nfs/dbraw/zinc/51/80/84/1394518084.db2.gz VNWRPMRWGNIKBC-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001482025786 1394684133 /nfs/dbraw/zinc/68/41/33/1394684133.db2.gz BSQXZUNLKUOBGX-KZNAEPCWSA-N 2 0 325.541 3.026 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001482290304 1394870328 /nfs/dbraw/zinc/87/03/28/1394870328.db2.gz XTYFNDAYHJEUDJ-OAHLLOKOSA-N 2 0 345.512 3.060 20 0 EGADRP Cc1c(C(=O)N[C@H](C[NH2+]CC2CCC2)CC(C)C)ccc2c[nH+]cn21 ZINC001482387941 1394948568 /nfs/dbraw/zinc/94/85/68/1394948568.db2.gz URCQDKSFYPBQTM-KRWDZBQOSA-N 2 0 342.487 3.177 20 0 EGADRP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001482454009 1395012732 /nfs/dbraw/zinc/01/27/32/1395012732.db2.gz PZMXMHRITZFMRX-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001482470804 1395025987 /nfs/dbraw/zinc/02/59/87/1395025987.db2.gz SUKSSJRIMVDDNJ-CABCVRRESA-N 2 0 337.533 3.050 20 0 EGADRP CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001482475320 1395029397 /nfs/dbraw/zinc/02/93/97/1395029397.db2.gz IIADQMGQGXVFLD-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCCC3CCC3)C2)C1 ZINC001483847692 1395114724 /nfs/dbraw/zinc/11/47/24/1395114724.db2.gz NXPNIMWYEFURNG-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001484473418 1395407914 /nfs/dbraw/zinc/40/79/14/1395407914.db2.gz UHJJQYFYOFZOKS-YZGWKJHDSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CCCCCC1 ZINC001484994078 1395638465 /nfs/dbraw/zinc/63/84/65/1395638465.db2.gz NOHDZKYEAPQUME-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001485311467 1395788727 /nfs/dbraw/zinc/78/87/27/1395788727.db2.gz AAFNQLKSBNHUJN-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001485509042 1395988331 /nfs/dbraw/zinc/98/83/31/1395988331.db2.gz KWDHTFIZLVMJPI-OXQOHEQNSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001486207717 1396182336 /nfs/dbraw/zinc/18/23/36/1396182336.db2.gz MJIZFXRDTDURNI-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001496145457 1396610955 /nfs/dbraw/zinc/61/09/55/1396610955.db2.gz PVKBPCBHBQDJTN-YJBOKZPZSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001498190445 1396934188 /nfs/dbraw/zinc/93/41/88/1396934188.db2.gz WKMJQVZNPHQMTG-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001731999800 1428209748 /nfs/dbraw/zinc/20/97/48/1428209748.db2.gz PYJXNZZHHXLGHZ-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001690041326 1404276422 /nfs/dbraw/zinc/27/64/22/1404276422.db2.gz MKZHLWBHLDJRTE-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001690388749 1404525452 /nfs/dbraw/zinc/52/54/52/1404525452.db2.gz PCDYNAXPIOTWQH-ICSRJNTNSA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001690490809 1404604159 /nfs/dbraw/zinc/60/41/59/1404604159.db2.gz FKCDEFDFKAZCSM-MOPGFXCFSA-N 2 0 335.536 3.118 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001690732760 1404701567 /nfs/dbraw/zinc/70/15/67/1404701567.db2.gz PEBDDDMUFMWRFF-QFBILLFUSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001690825040 1404762689 /nfs/dbraw/zinc/76/26/89/1404762689.db2.gz QCNNSGAAOKGWCV-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001690958253 1404866017 /nfs/dbraw/zinc/86/60/17/1404866017.db2.gz ZTMVZAMDEQRXAT-OAHLLOKOSA-N 2 0 349.906 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690970822 1404878634 /nfs/dbraw/zinc/87/86/34/1404878634.db2.gz LMLRXAPRNFXYRX-SJLPKXTDSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691065801 1404992581 /nfs/dbraw/zinc/99/25/81/1404992581.db2.gz GLIKJBLNLZSVMI-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001725631056 1426299723 /nfs/dbraw/zinc/29/97/23/1426299723.db2.gz OEXCDPBHMKSYBZ-WMZOPIPTSA-N 2 0 339.568 3.370 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691446877 1405274705 /nfs/dbraw/zinc/27/47/05/1405274705.db2.gz IZNDBTVXVFIPOA-NSHGMRRFSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001698549139 1406147453 /nfs/dbraw/zinc/14/74/53/1406147453.db2.gz ASQZTWBUDDBYJO-ICSRJNTNSA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(C)cc1 ZINC001698597095 1406221741 /nfs/dbraw/zinc/22/17/41/1406221741.db2.gz OZMNBCLEBOXFQD-LJQANCHMSA-N 2 0 345.531 3.244 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1C ZINC001732032528 1428249726 /nfs/dbraw/zinc/24/97/26/1428249726.db2.gz XXXDAFNZWXCOHT-GBESFXJTSA-N 2 0 343.515 3.073 20 0 EGADRP C[NH+](CCC(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1)C1CCCCC1 ZINC001732075199 1428326725 /nfs/dbraw/zinc/32/67/25/1428326725.db2.gz DLQYTQWHPDOMEY-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1)[NH+]1CCCCCC1 ZINC001732312064 1428524541 /nfs/dbraw/zinc/52/45/41/1428524541.db2.gz NPINEKFKPPULDE-DSABCMEJSA-N 2 0 341.927 3.020 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732431154 1428578114 /nfs/dbraw/zinc/57/81/14/1428578114.db2.gz LQSOEEPCXBHXDB-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001732530603 1428650885 /nfs/dbraw/zinc/65/08/85/1428650885.db2.gz IMSVBFFUWVZFHO-SJORKVTESA-N 2 0 349.519 3.362 20 0 EGADRP CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001732530593 1428650988 /nfs/dbraw/zinc/65/09/88/1428650988.db2.gz IMSVBFFUWVZFHO-DLBZAZTESA-N 2 0 349.519 3.362 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001732534334 1428655259 /nfs/dbraw/zinc/65/52/59/1428655259.db2.gz XCOGQZTXNLLJKW-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001699460911 1412814480 /nfs/dbraw/zinc/81/44/80/1412814480.db2.gz GIMJOHWOFXJFHH-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473875 1412860539 /nfs/dbraw/zinc/86/05/39/1412860539.db2.gz DRKBSRHPUHJNRV-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001699473876 1412860924 /nfs/dbraw/zinc/86/09/24/1412860924.db2.gz DRSDJXQRYGLIEP-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699487633 1412883422 /nfs/dbraw/zinc/88/34/22/1412883422.db2.gz MBTJUFKIMYYJPB-VQTJNVASSA-N 2 0 345.531 3.282 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001699489653 1412886689 /nfs/dbraw/zinc/88/66/89/1412886689.db2.gz ZZLYGEGFAQUFRL-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001699630681 1413001309 /nfs/dbraw/zinc/00/13/09/1413001309.db2.gz ROGDYBNGRRFULX-LJQANCHMSA-N 2 0 345.531 3.016 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001699946833 1413391063 /nfs/dbraw/zinc/39/10/63/1413391063.db2.gz APLCOGCVGYKOTL-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001732550160 1428731137 /nfs/dbraw/zinc/73/11/37/1428731137.db2.gz HIRQWBVZCJAWFR-IBGZPJMESA-N 2 0 337.552 3.218 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)c3ccc(C[NH+](C)C)cc3)CCC2)C1 ZINC001700138685 1413557957 /nfs/dbraw/zinc/55/79/57/1413557957.db2.gz GELSSAWWVNLZQY-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC([NH2+]CCC2CC2)C1 ZINC001701021376 1414682137 /nfs/dbraw/zinc/68/21/37/1414682137.db2.gz HDXSCRPTPMGESV-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001701030882 1414693435 /nfs/dbraw/zinc/69/34/35/1414693435.db2.gz XLWNNEVZTHSQMC-QHGAOEGBSA-N 2 0 343.515 3.203 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732774511 1428962016 /nfs/dbraw/zinc/96/20/16/1428962016.db2.gz GAZJNRWIBALLLR-QFBILLFUSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001732965588 1429090075 /nfs/dbraw/zinc/09/00/75/1429090075.db2.gz XWLMWVRJSCHIPU-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001732968188 1429092846 /nfs/dbraw/zinc/09/28/46/1429092846.db2.gz PXRQTFPDBPDZFE-JTDSTZFVSA-N 2 0 345.531 3.234 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001707065137 1417179594 /nfs/dbraw/zinc/17/95/94/1417179594.db2.gz VOAODIFOHJBHTJ-CADBVGFASA-N 2 0 349.563 3.172 20 0 EGADRP CC1CC(C[NH2+][C@H]2C[C@@H](CNC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001707067822 1417181681 /nfs/dbraw/zinc/18/16/81/1417181681.db2.gz IOLLQLNSWIHBHT-YHFFBGSDSA-N 2 0 349.563 3.172 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707436116 1417340247 /nfs/dbraw/zinc/34/02/47/1417340247.db2.gz GSMIZPCCMFWINT-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001707439008 1417342907 /nfs/dbraw/zinc/34/29/07/1417342907.db2.gz BRMNZFIXKPUSSU-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058282 1429203394 /nfs/dbraw/zinc/20/33/94/1429203394.db2.gz ITEYSDMNLUTYIS-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001713259158 1417865670 /nfs/dbraw/zinc/86/56/70/1417865670.db2.gz MOMHCIBNJRHNOV-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001713322278 1417947193 /nfs/dbraw/zinc/94/71/93/1417947193.db2.gz JNUFZCXHQNIABN-CABCVRRESA-N 2 0 349.906 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713757754 1418562002 /nfs/dbraw/zinc/56/20/02/1418562002.db2.gz LJIJXIDEHPNDDP-IRXDYDNUSA-N 2 0 349.494 3.009 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2C[NH+](CCCC3CCC3)C2)CCCCC1 ZINC001713914310 1418710212 /nfs/dbraw/zinc/71/02/12/1418710212.db2.gz QZZSVGUABYAQBU-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C)cc1C ZINC001714117262 1418920281 /nfs/dbraw/zinc/92/02/81/1418920281.db2.gz UGYFBHGMGLXXLN-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001714145709 1418950017 /nfs/dbraw/zinc/95/00/17/1418950017.db2.gz RFMOSTVUPUEBJZ-OALUTQOASA-N 2 0 346.519 3.309 20 0 EGADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001714484650 1419207590 /nfs/dbraw/zinc/20/75/90/1419207590.db2.gz IPGHTJWZWFWORC-HOTGVXAUSA-N 2 0 349.494 3.246 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001714497797 1419221946 /nfs/dbraw/zinc/22/19/46/1419221946.db2.gz RUHGQKHCDLXJFO-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001714597147 1419350169 /nfs/dbraw/zinc/35/01/69/1419350169.db2.gz KGZBFMAUIAEJDG-FQEVSTJZSA-N 2 0 341.499 3.118 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1ccccc1F ZINC001714655512 1419435987 /nfs/dbraw/zinc/43/59/87/1419435987.db2.gz DXVDIOITCJYMEM-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715031042 1419763992 /nfs/dbraw/zinc/76/39/92/1419763992.db2.gz MGADQBITNCMJQZ-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001715035819 1419770904 /nfs/dbraw/zinc/77/09/04/1419770904.db2.gz AWNMPRWMZNHBMY-PKOBYXMFSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001715048540 1419789793 /nfs/dbraw/zinc/78/97/93/1419789793.db2.gz UQUJZRNLWIKLMX-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1c(C)cccc1C ZINC001715076874 1419811854 /nfs/dbraw/zinc/81/18/54/1419811854.db2.gz WGLDZZVHFSDYRH-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[N@@H+](C)CC)CC2)c1 ZINC001715191959 1419923993 /nfs/dbraw/zinc/92/39/93/1419923993.db2.gz WZRLVWFXNKXMMM-MXVIHJGJSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001715249794 1419975483 /nfs/dbraw/zinc/97/54/83/1419975483.db2.gz AXPYPLVIJZORDM-ICSRJNTNSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCC1 ZINC001715302500 1420010718 /nfs/dbraw/zinc/01/07/18/1420010718.db2.gz XVWBURFYFJPVPE-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001715491717 1420173187 /nfs/dbraw/zinc/17/31/87/1420173187.db2.gz UDXSNFIPZNVWAI-RTBURBONSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715521327 1420207609 /nfs/dbraw/zinc/20/76/09/1420207609.db2.gz PCXBTUYGINNDEL-UYAOXDASSA-N 2 0 345.531 3.319 20 0 EGADRP CC1CC(C[N@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001715521359 1420208661 /nfs/dbraw/zinc/20/86/61/1420208661.db2.gz PWLQNKAYQQNKDY-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP CN(CC[N@H+](C)CC1CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715539283 1420236857 /nfs/dbraw/zinc/23/68/57/1420236857.db2.gz IDXPOTHGDRBZMW-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715763817 1420331383 /nfs/dbraw/zinc/33/13/83/1420331383.db2.gz QLMWYCURYCTLCB-IBGZPJMESA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031998 1420491176 /nfs/dbraw/zinc/49/11/76/1420491176.db2.gz VNTBSTYIPSMQSA-ZWKOTPCHSA-N 2 0 345.531 3.449 20 0 EGADRP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001733277651 1429443612 /nfs/dbraw/zinc/44/36/12/1429443612.db2.gz VLYDQCNAPWTJED-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717549451 1421487743 /nfs/dbraw/zinc/48/77/43/1421487743.db2.gz USBCSDXIVMOHPU-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC([N@H+](C)CC3CCC3)CC2)CCCCC1 ZINC001717702646 1421576201 /nfs/dbraw/zinc/57/62/01/1421576201.db2.gz XILCDDNHTONLQL-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001717966363 1421738033 /nfs/dbraw/zinc/73/80/33/1421738033.db2.gz HVXXGUYOYQNTPE-FUHWJXTLSA-N 2 0 339.568 3.131 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)C[C@@H]1C ZINC001733336404 1429521523 /nfs/dbraw/zinc/52/15/23/1429521523.db2.gz UGQDAPYWAAOXIS-WMZOPIPTSA-N 2 0 349.494 3.027 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001724285188 1424774643 /nfs/dbraw/zinc/77/46/43/1424774643.db2.gz GDXRXDHNDXNNCS-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001724329033 1424817913 /nfs/dbraw/zinc/81/79/13/1424817913.db2.gz CJZLYKCBKNUJSU-RXVVDRJESA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)CCC1 ZINC001724836270 1425184926 /nfs/dbraw/zinc/18/49/26/1425184926.db2.gz GVPCENXLXQARFN-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724865259 1425248626 /nfs/dbraw/zinc/24/86/26/1425248626.db2.gz CXOUBUSVSVUFES-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001725003483 1425414333 /nfs/dbraw/zinc/41/43/33/1425414333.db2.gz PQQZJDJWAQRCBT-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCC[NH+](CCCC(C)(C)C)C3)C1 ZINC001725344343 1425994543 /nfs/dbraw/zinc/99/45/43/1425994543.db2.gz FVLWNRCGNBVDAL-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)[C@H]1C ZINC001725627489 1426294350 /nfs/dbraw/zinc/29/43/50/1426294350.db2.gz LNDCFRPHDMBWGW-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001731348977 1427286846 /nfs/dbraw/zinc/28/68/46/1427286846.db2.gz BWYOHFHBVMQZGH-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001731592245 1427633966 /nfs/dbraw/zinc/63/39/66/1427633966.db2.gz NVYDCOJVFQWRAR-GOSISDBHSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001731735328 1427814820 /nfs/dbraw/zinc/81/48/20/1427814820.db2.gz NGWSUALKKXNOFC-SJORKVTESA-N 2 0 333.520 3.210 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H](C)c1ccc(F)cc1 ZINC001731816496 1428012089 /nfs/dbraw/zinc/01/20/89/1428012089.db2.gz MBWFAGKKVZUXQU-QGZVFWFLSA-N 2 0 349.494 3.201 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001731859803 1428097853 /nfs/dbraw/zinc/09/78/53/1428097853.db2.gz GGVSJVOZVHIJGW-FQEVSTJZSA-N 2 0 349.563 3.271 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001733606729 1429819792 /nfs/dbraw/zinc/81/97/92/1429819792.db2.gz YXGDRAMKSBIRCQ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)C1 ZINC001733722294 1429945151 /nfs/dbraw/zinc/94/51/51/1429945151.db2.gz QXQANDGZOGNORR-ROUUACIJSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001733761738 1429976514 /nfs/dbraw/zinc/97/65/14/1429976514.db2.gz ADYXVKQRPXOYJQ-UYAOXDASSA-N 2 0 345.531 3.369 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)CC1(C)C ZINC001733875945 1437703090 /nfs/dbraw/zinc/70/30/90/1437703090.db2.gz QCZHLEKGPFZOAL-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001733939435 1437755177 /nfs/dbraw/zinc/75/51/77/1437755177.db2.gz BGWZKEIJHFJKKZ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001734020961 1437809850 /nfs/dbraw/zinc/80/98/50/1437809850.db2.gz XORMAUBPPFOUJB-UHFFFAOYSA-N 2 0 347.547 3.239 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H]1C ZINC001734404373 1438084111 /nfs/dbraw/zinc/08/41/11/1438084111.db2.gz RXKIKJWUNAGISN-QUCCMNQESA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@@H+]1CC1CCC1 ZINC001734464069 1438120701 /nfs/dbraw/zinc/12/07/01/1438120701.db2.gz XGINEASZLZCJRK-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]([NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1)c1ccc(F)cc1 ZINC001734601194 1438182969 /nfs/dbraw/zinc/18/29/69/1438182969.db2.gz BYNRNAYGCJHYLI-CTWPCTMYSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)cs1 ZINC001752075602 1440138564 /nfs/dbraw/zinc/13/85/64/1440138564.db2.gz GFLCAAUCWUCUNJ-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001752160135 1440148638 /nfs/dbraw/zinc/14/86/38/1440148638.db2.gz YKYPWSKESYIJSR-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001752267198 1440162662 /nfs/dbraw/zinc/16/26/62/1440162662.db2.gz WJAFWUBPHVVCSC-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001752293371 1440166506 /nfs/dbraw/zinc/16/65/06/1440166506.db2.gz JPGPQCJGHMSEPG-UYAOXDASSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCCC1)C1CC1 ZINC001752470690 1440184396 /nfs/dbraw/zinc/18/43/96/1440184396.db2.gz IAIDDHGJNUIGGO-VQTJNVASSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001752539020 1440194382 /nfs/dbraw/zinc/19/43/82/1440194382.db2.gz WHNOSNNNMGVUOB-KDURUIRLSA-N 2 0 335.536 3.116 20 0 EGADRP Cc1cccc([C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)c1 ZINC001752542020 1440194650 /nfs/dbraw/zinc/19/46/50/1440194650.db2.gz DBGLQEYHPJGNFK-YSIASYRMSA-N 2 0 343.515 3.073 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001752635004 1440197253 /nfs/dbraw/zinc/19/72/53/1440197253.db2.gz UGNMGWOJJMEWMZ-WGSAOQKQSA-N 2 0 343.515 3.031 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001752661981 1440198482 /nfs/dbraw/zinc/19/84/82/1440198482.db2.gz VQUAOGFGOXSKEM-VDGAXYAQSA-N 2 0 345.531 3.450 20 0 EGADRP CC/C=C\CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001752784116 1440210029 /nfs/dbraw/zinc/21/00/29/1440210029.db2.gz WCPSJTVFGCBCJV-CQQBRXBZSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C/CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001752784118 1440210459 /nfs/dbraw/zinc/21/04/59/1440210459.db2.gz WCPSJTVFGCBCJV-YSKLNCTFSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752785567 1440211214 /nfs/dbraw/zinc/21/12/14/1440211214.db2.gz XNHFMSQRUBQLTP-XFHJGTJQSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001752818802 1440219193 /nfs/dbraw/zinc/21/91/93/1440219193.db2.gz JDLPISDGMPZEDY-CKHBTRQNSA-N 2 0 349.563 3.434 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001752832768 1440226022 /nfs/dbraw/zinc/22/60/22/1440226022.db2.gz HJTMUKYGJZCTSW-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001752841139 1440230363 /nfs/dbraw/zinc/23/03/63/1440230363.db2.gz OBJKETAASSKAFO-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001752884860 1440239669 /nfs/dbraw/zinc/23/96/69/1440239669.db2.gz HMWNCNTUIDAFDK-QUCCMNQESA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001752903496 1440243507 /nfs/dbraw/zinc/24/35/07/1440243507.db2.gz PQHLIKYBINRVLT-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC001752917446 1440247593 /nfs/dbraw/zinc/24/75/93/1440247593.db2.gz MZCZZDMFXUOKRP-DLBZAZTESA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCCC(C)(C)C ZINC001752921062 1440248618 /nfs/dbraw/zinc/24/86/18/1440248618.db2.gz LEOSVAOVXVBXPW-MRXNPFEDSA-N 2 0 333.520 3.282 20 0 EGADRP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001752954631 1440252538 /nfs/dbraw/zinc/25/25/38/1440252538.db2.gz VDXYCFYQDLENMR-SFFCAUCYSA-N 2 0 343.515 3.156 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001752959004 1440253109 /nfs/dbraw/zinc/25/31/09/1440253109.db2.gz RUEVBBGEWLMPET-LPHOPBHVSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001752976258 1440256063 /nfs/dbraw/zinc/25/60/63/1440256063.db2.gz LYZJAELUWRYPBO-OALUTQOASA-N 2 0 345.531 3.279 20 0 EGADRP CCc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001752976213 1440256068 /nfs/dbraw/zinc/25/60/68/1440256068.db2.gz LCGYANFUFBUWRM-PMACEKPBSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001752983381 1440257516 /nfs/dbraw/zinc/25/75/16/1440257516.db2.gz JJOTWZQWWHRBOA-UXHICEINSA-N 2 0 345.531 3.161 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001752983877 1440257785 /nfs/dbraw/zinc/25/77/85/1440257785.db2.gz QFAXOESQVOODAP-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752995156 1440261578 /nfs/dbraw/zinc/26/15/78/1440261578.db2.gz OZGJSGJJTULGPH-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001752998044 1440263027 /nfs/dbraw/zinc/26/30/27/1440263027.db2.gz YDBRBDFZILNLSG-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CCC1CCCCC1 ZINC001753082718 1440294774 /nfs/dbraw/zinc/29/47/74/1440294774.db2.gz NNFNNIMEAAPEGR-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CCC1CCCCC1 ZINC001753094887 1440301927 /nfs/dbraw/zinc/30/19/27/1440301927.db2.gz LCCIKWREBNMJHX-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001753203142 1440338504 /nfs/dbraw/zinc/33/85/04/1440338504.db2.gz SKQYUIWUFPOLPT-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1C[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001753292230 1440350725 /nfs/dbraw/zinc/35/07/25/1440350725.db2.gz GWWRXIHFAQFJFH-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001753326691 1440367165 /nfs/dbraw/zinc/36/71/65/1440367165.db2.gz IJGSHYGKDJOYPI-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001753341393 1440375735 /nfs/dbraw/zinc/37/57/35/1440375735.db2.gz XENJSTPZSXNHLJ-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001753350244 1440377455 /nfs/dbraw/zinc/37/74/55/1440377455.db2.gz FRQKUCUMSPAQIZ-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001753357971 1440381095 /nfs/dbraw/zinc/38/10/95/1440381095.db2.gz IUFZHLCQAAHCNT-IAGOWNOFSA-N 2 0 349.494 3.009 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1CCC[NH+](CC)C1 ZINC001753361374 1440382903 /nfs/dbraw/zinc/38/29/03/1440382903.db2.gz DSCZRGCXNHNZFT-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001753438438 1440400800 /nfs/dbraw/zinc/40/08/00/1440400800.db2.gz ZJCYCHJOLMQEPX-AWTIPJNISA-N 2 0 335.536 3.138 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753450199 1440405650 /nfs/dbraw/zinc/40/56/50/1440405650.db2.gz ODXJSPVULNPISS-UYAOXDASSA-N 2 0 343.515 3.156 20 0 EGADRP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001753461923 1440411293 /nfs/dbraw/zinc/41/12/93/1440411293.db2.gz OXODJTDHYYSJQC-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(C)cc2)C1 ZINC001753485435 1440417616 /nfs/dbraw/zinc/41/76/16/1440417616.db2.gz XSTMSCSWBBXGLQ-VQTJNVASSA-N 2 0 345.531 3.101 20 0 EGADRP C[NH+]1CCC(C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)CC1 ZINC001753507900 1440425033 /nfs/dbraw/zinc/42/50/33/1440425033.db2.gz OFNPADJOBIDHDF-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001753535065 1440432306 /nfs/dbraw/zinc/43/23/06/1440432306.db2.gz CFKZGGLFMWKKIW-UYAOXDASSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C\CC[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001753577234 1440439510 /nfs/dbraw/zinc/43/95/10/1440439510.db2.gz WCERCFNEHFWFLA-PLNGDYQASA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001753581366 1440440220 /nfs/dbraw/zinc/44/02/20/1440440220.db2.gz MPRKEFUKDWRPTM-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001753586491 1440441356 /nfs/dbraw/zinc/44/13/56/1440441356.db2.gz QODXYUXNXWPADZ-KBAYOESNSA-N 2 0 346.519 3.186 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001753586915 1440441588 /nfs/dbraw/zinc/44/15/88/1440441588.db2.gz GVEXNXXAEWGFOI-BRWVUGGUSA-N 2 0 349.494 3.246 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753602006 1440446536 /nfs/dbraw/zinc/44/65/36/1440446536.db2.gz YDASFLYFVVBJGP-LXORQPIJSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001753645036 1440455429 /nfs/dbraw/zinc/45/54/29/1440455429.db2.gz QSQRUHBLPIMSTN-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCCC1 ZINC001753661722 1440458923 /nfs/dbraw/zinc/45/89/23/1440458923.db2.gz SQUQZTHREXYTGB-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CC(CC)CC)C2)CC1 ZINC001753677720 1440463743 /nfs/dbraw/zinc/46/37/43/1440463743.db2.gz UYXLLEPFTVYSTL-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001753736380 1440477814 /nfs/dbraw/zinc/47/78/14/1440477814.db2.gz LJFZTEIGQKYVAA-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001753749087 1440482045 /nfs/dbraw/zinc/48/20/45/1440482045.db2.gz ZWCZZXKWUMUXBI-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001753763673 1440484494 /nfs/dbraw/zinc/48/44/94/1440484494.db2.gz VQVUALXCHVYHQA-DDRDIHNTSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001753821857 1440496436 /nfs/dbraw/zinc/49/64/36/1440496436.db2.gz UWSZCYNYUQYJDT-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1)CC1CCCC1 ZINC001753823387 1440497303 /nfs/dbraw/zinc/49/73/03/1440497303.db2.gz GXSGYNWACPUSTB-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001753855861 1440508785 /nfs/dbraw/zinc/50/87/85/1440508785.db2.gz MDHGJXKCSBEHEM-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CN(CC[N@H+](C)C/C=C\c1ccccc1)C(=O)C[NH+](C)CC(C)(C)C ZINC001753863336 1440512735 /nfs/dbraw/zinc/51/27/35/1440512735.db2.gz UCYBWBLRSDMPRX-RAXLEYEMSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1)[NH+]1CCCCCC1 ZINC001753864626 1440513475 /nfs/dbraw/zinc/51/34/75/1440513475.db2.gz QZKMBPWFUMMXQQ-RTBURBONSA-N 2 0 345.531 3.402 20 0 EGADRP CCN(CC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)C(=O)CC[NH+](C)C ZINC001754064751 1440537224 /nfs/dbraw/zinc/53/72/24/1440537224.db2.gz DDEZPABTSBEHJD-UHFFFAOYSA-N 2 0 347.547 3.119 20 0 EGADRP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754070812 1440538202 /nfs/dbraw/zinc/53/82/02/1440538202.db2.gz QEHWYCKGOUXOEW-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C)c1 ZINC001754337688 1440587400 /nfs/dbraw/zinc/58/74/00/1440587400.db2.gz YKCFPDJIVVJMBP-ZWKOTPCHSA-N 2 0 333.520 3.141 20 0 EGADRP CCc1ccc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001754416635 1440597013 /nfs/dbraw/zinc/59/70/13/1440597013.db2.gz RIPPTGNGESEGNC-QZTJIDSGSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001754452635 1440601513 /nfs/dbraw/zinc/60/15/13/1440601513.db2.gz HAWCQOOUQKLIRC-MOPGFXCFSA-N 2 0 349.563 3.170 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1([NH2+]CC2CCCCC2)CC1 ZINC001754516379 1440618666 /nfs/dbraw/zinc/61/86/66/1440618666.db2.gz FYMAAOVYUPNCSD-UHFFFAOYSA-N 2 0 349.544 3.242 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001754600817 1440642458 /nfs/dbraw/zinc/64/24/58/1440642458.db2.gz IBCDWTTUEUNNAJ-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001754604238 1440643033 /nfs/dbraw/zinc/64/30/33/1440643033.db2.gz VBQWODOASLKUNN-HKUYNNGSSA-N 2 0 335.536 3.186 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001754620537 1440645232 /nfs/dbraw/zinc/64/52/32/1440645232.db2.gz VWXSBGFAXOJAMS-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC001754630014 1440647453 /nfs/dbraw/zinc/64/74/53/1440647453.db2.gz RIUPOHWRCKQOST-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001754679313 1440661503 /nfs/dbraw/zinc/66/15/03/1440661503.db2.gz PHMFKPWGNULOJD-AZUAARDMSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001754797775 1440689880 /nfs/dbraw/zinc/68/98/80/1440689880.db2.gz TVZDBZAYXCMKKG-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754866957 1440703190 /nfs/dbraw/zinc/70/31/90/1440703190.db2.gz GCCXKXHTRYMPRD-MUGJNUQGSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001754871827 1440705435 /nfs/dbraw/zinc/70/54/35/1440705435.db2.gz MTQVWDLHGIYTIQ-RTBURBONSA-N 2 0 335.536 3.118 20 0 EGADRP C[C@@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001754948000 1440713952 /nfs/dbraw/zinc/71/39/52/1440713952.db2.gz DPBYCHGITHGHTN-ITOFIOBYSA-N 2 0 349.906 3.048 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)C1 ZINC001754956616 1440716588 /nfs/dbraw/zinc/71/65/88/1440716588.db2.gz WWRULWUUMJIJPF-IHPCNDPISA-N 2 0 349.563 3.173 20 0 EGADRP CC1CCC(C[NH2+]C2(CNC(=O)CC[NH+]3CCCCC3)CCC2)CC1 ZINC001754993310 1440725215 /nfs/dbraw/zinc/72/52/15/1440725215.db2.gz KQQBGRJZZNCHMD-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CN(CCC[N@H+](C)CCCC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755036412 1440734643 /nfs/dbraw/zinc/73/46/43/1440734643.db2.gz DEOWLTVJGOHEFA-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001755039232 1440736153 /nfs/dbraw/zinc/73/61/53/1440736153.db2.gz MAMIGVLOAQTJGU-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCC(CC)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001755039234 1440736216 /nfs/dbraw/zinc/73/62/16/1440736216.db2.gz MAMIGVLOAQTJGU-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001755068633 1440745827 /nfs/dbraw/zinc/74/58/27/1440745827.db2.gz ANPIGHMGOKAPBS-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001755070175 1440746292 /nfs/dbraw/zinc/74/62/92/1440746292.db2.gz VZEOXDPOJQKIIJ-RBUKOAKNSA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCc1ccc2c(c1)C[NH+](CC=C(C)C)C2 ZINC001755101639 1440752831 /nfs/dbraw/zinc/75/28/31/1440752831.db2.gz VQRMZJXLEHWWED-UHFFFAOYSA-N 2 0 343.515 3.317 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccc(C)cc2)CC1 ZINC001755135542 1440758110 /nfs/dbraw/zinc/75/81/10/1440758110.db2.gz TVKKSOYPUGJVDG-UHFFFAOYSA-N 2 0 345.531 3.198 20 0 EGADRP CCC(CC)C[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001755135920 1440758167 /nfs/dbraw/zinc/75/81/67/1440758167.db2.gz HWXZWQYFEGCULI-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)CC1(C)C ZINC001755141409 1440760591 /nfs/dbraw/zinc/76/05/91/1440760591.db2.gz GDDBYOOVYFTUMH-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)CC1(C)C ZINC001755141869 1440760813 /nfs/dbraw/zinc/76/08/13/1440760813.db2.gz KOBSECDDPJFXLE-MJGOQNOKSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142760 1440761634 /nfs/dbraw/zinc/76/16/34/1440761634.db2.gz FELDMLYQCAEVHM-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCc1ccc(C[NH+]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C)cc1 ZINC001755167207 1440767544 /nfs/dbraw/zinc/76/75/44/1440767544.db2.gz LRDITSXRDUJUJC-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001755175796 1440770727 /nfs/dbraw/zinc/77/07/27/1440770727.db2.gz HWWHYXWCPWHQBO-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001755183724 1440771966 /nfs/dbraw/zinc/77/19/66/1440771966.db2.gz PAFPVHPKYSUMAV-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001755184727 1440772765 /nfs/dbraw/zinc/77/27/65/1440772765.db2.gz DZNIQQKBOYORHT-UHFFFAOYSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001755204385 1440781780 /nfs/dbraw/zinc/78/17/80/1440781780.db2.gz JQHLBNSVPCQTGQ-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001755241640 1440789569 /nfs/dbraw/zinc/78/95/69/1440789569.db2.gz FRKKEYPDNHUKDX-KBPBESRZSA-N 2 0 330.476 3.175 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001755262502 1440794873 /nfs/dbraw/zinc/79/48/73/1440794873.db2.gz KXVLYWHUBOQXSS-SJORKVTESA-N 2 0 341.499 3.164 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1=CCCCC1 ZINC001755287566 1440802500 /nfs/dbraw/zinc/80/25/00/1440802500.db2.gz FOMKFFCXBJEEMT-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300676 1440808357 /nfs/dbraw/zinc/80/83/57/1440808357.db2.gz VOQLZVQHVGAMMW-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001755327076 1440822301 /nfs/dbraw/zinc/82/23/01/1440822301.db2.gz DQUORGYYOKPHNW-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCCC1 ZINC001755353852 1440828655 /nfs/dbraw/zinc/82/86/55/1440828655.db2.gz YYYVRXCSPQORTJ-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755366292 1440834549 /nfs/dbraw/zinc/83/45/49/1440834549.db2.gz OTNCXXYDVTXHAT-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755376553 1440838236 /nfs/dbraw/zinc/83/82/36/1440838236.db2.gz FQXSWCFNTACHBN-WMZOPIPTSA-N 2 0 337.552 3.122 20 0 EGADRP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001755387999 1440841096 /nfs/dbraw/zinc/84/10/96/1440841096.db2.gz VOOJIPNHOLCBKF-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001755387998 1440841112 /nfs/dbraw/zinc/84/11/12/1440841112.db2.gz VOOJIPNHOLCBKF-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]2C1 ZINC001755451129 1440853388 /nfs/dbraw/zinc/85/33/88/1440853388.db2.gz BFMVLXBJTPTNEH-XUVXKRRUSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001755452515 1440854141 /nfs/dbraw/zinc/85/41/41/1440854141.db2.gz JRTQMIWYELMUEW-IPMKNSEASA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1F ZINC001755527189 1440866032 /nfs/dbraw/zinc/86/60/32/1440866032.db2.gz XIMPTUGBXOURBP-VQIMIIECSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001755531836 1440867741 /nfs/dbraw/zinc/86/77/41/1440867741.db2.gz CLRPGTQNZAADFL-MJGOQNOKSA-N 2 0 345.531 3.136 20 0 EGADRP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755563568 1440875065 /nfs/dbraw/zinc/87/50/65/1440875065.db2.gz BLELGNMSNACIEW-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001755589997 1440881322 /nfs/dbraw/zinc/88/13/22/1440881322.db2.gz FJZLXQLOBDHQKC-SJLPKXTDSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001755617619 1440889440 /nfs/dbraw/zinc/88/94/40/1440889440.db2.gz CTMYWQYZMSUAKJ-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@H]1C ZINC001755662785 1440892933 /nfs/dbraw/zinc/89/29/33/1440892933.db2.gz HDMXEHLVXLGLBM-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CCCC[NH+](C)C ZINC001755689442 1440896405 /nfs/dbraw/zinc/89/64/05/1440896405.db2.gz PATJKBPCWVBQIC-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001755700009 1440899587 /nfs/dbraw/zinc/89/95/87/1440899587.db2.gz FLRNEVCFBKZGFR-AZUAARDMSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCCCC1)CC2 ZINC001755704924 1440902108 /nfs/dbraw/zinc/90/21/08/1440902108.db2.gz RWMDPECDRFDBNY-ICSRJNTNSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001755764567 1440915876 /nfs/dbraw/zinc/91/58/76/1440915876.db2.gz VJKFSCXLQKLFQT-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001755765507 1440916118 /nfs/dbraw/zinc/91/61/18/1440916118.db2.gz QRVBPPOIZDPJBT-CRAIPNDOSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755810948 1440920309 /nfs/dbraw/zinc/92/03/09/1440920309.db2.gz RBXVXHKJKPXUAD-SFHVURJKSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001755825933 1440927277 /nfs/dbraw/zinc/92/72/77/1440927277.db2.gz XBKOGSOQNGJHDZ-RBUKOAKNSA-N 2 0 349.563 3.480 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001755827407 1440927713 /nfs/dbraw/zinc/92/77/13/1440927713.db2.gz LAQAMGYOBCRVBZ-INIZCTEOSA-N 2 0 343.531 3.120 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)c(F)c1 ZINC001755902029 1440944077 /nfs/dbraw/zinc/94/40/77/1440944077.db2.gz MBKROWNPNGFYRF-UHFFFAOYSA-N 2 0 349.494 3.062 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368566810 168373998 /nfs/dbraw/zinc/37/39/98/168373998.db2.gz JZZBQJSFORKDAE-NTDBWNAOSA-N 2 0 332.488 3.074 20 0 EGADRP Clc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000173957255 231081077 /nfs/dbraw/zinc/08/10/77/231081077.db2.gz KXNNJSCJQSLRRK-UHFFFAOYSA-N 2 0 328.909 3.478 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000186877989 530000911 /nfs/dbraw/zinc/00/09/11/530000911.db2.gz PPVCHKPGAGCIEZ-NJDAHSKKSA-N 2 0 327.516 3.113 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000101726819 219159179 /nfs/dbraw/zinc/15/91/79/219159179.db2.gz XDWDRZFWTYIVCS-UHFFFAOYSA-N 2 0 331.504 3.459 20 0 EGADRP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000181129076 234092699 /nfs/dbraw/zinc/09/26/99/234092699.db2.gz GTRXRRNSZXIIDW-MRXNPFEDSA-N 2 0 343.471 3.466 20 0 EGADRP CCC[N@H+](CCOc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000037539065 213154598 /nfs/dbraw/zinc/15/45/98/213154598.db2.gz YKYDDXJTRGWWJD-UHFFFAOYSA-N 2 0 341.293 3.292 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCS2 ZINC000187159262 236133432 /nfs/dbraw/zinc/13/34/32/236133432.db2.gz HVRWLROCAAVWNP-KXBFYZLASA-N 2 0 347.572 3.313 20 0 EGADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000187994107 236375101 /nfs/dbraw/zinc/37/51/01/236375101.db2.gz GCEKKLMIBNLNPS-NJDAHSKKSA-N 2 0 330.516 3.323 20 0 EGADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132385735 223326323 /nfs/dbraw/zinc/32/63/23/223326323.db2.gz GLZHFYDVBZMRAW-FPOVZHCZSA-N 2 0 331.548 3.178 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(Cl)cs2)ccn1 ZINC000193194359 240057387 /nfs/dbraw/zinc/05/73/87/240057387.db2.gz TZNYAYFHWJUPEF-UHFFFAOYSA-N 2 0 325.865 3.027 20 0 EGADRP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000376320908 242063720 /nfs/dbraw/zinc/06/37/20/242063720.db2.gz XFSGQUITUPABOP-IWCQGFGOSA-N 2 0 344.421 3.188 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3c(F)ccc(Br)c3F)C[C@@H]21 ZINC000230320268 242257730 /nfs/dbraw/zinc/25/77/30/242257730.db2.gz MAILBGROAWLYHE-PKFCDNJMSA-N 2 0 345.231 3.287 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236713330 242330781 /nfs/dbraw/zinc/33/07/81/242330781.db2.gz ANLVJQMPQKYVBF-PXNSSMCTSA-N 2 0 345.531 3.197 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000236995584 242442314 /nfs/dbraw/zinc/44/23/14/242442314.db2.gz XPOYUQLWDUUAIR-MOPGFXCFSA-N 2 0 331.504 3.164 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000261781600 244676278 /nfs/dbraw/zinc/67/62/78/244676278.db2.gz PJHAMLZEEUDTGQ-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000262605114 245059681 /nfs/dbraw/zinc/05/96/81/245059681.db2.gz APVQOQAUSPOLEQ-VDGAXYAQSA-N 2 0 339.483 3.050 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262697856 245127533 /nfs/dbraw/zinc/12/75/33/245127533.db2.gz FOLMZEKKPGVTOO-UZLBHIALSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000263331179 245395218 /nfs/dbraw/zinc/39/52/18/245395218.db2.gz MCEMVGNQBDUJEE-RTBURBONSA-N 2 0 325.456 3.016 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000111386929 220149319 /nfs/dbraw/zinc/14/93/19/220149319.db2.gz HBLHUHRDHCNJPG-SFHVURJKSA-N 2 0 328.456 3.273 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCn3cc(C)nc32)cc1OC ZINC000378186123 169082049 /nfs/dbraw/zinc/08/20/49/169082049.db2.gz VYSPWVYRYWJYPW-WMLDXEAASA-N 2 0 343.471 3.307 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739235 218056071 /nfs/dbraw/zinc/05/60/71/218056071.db2.gz DZINLOALWJNYNF-HBUWYVDXSA-N 2 0 331.435 3.342 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000092666290 218157749 /nfs/dbraw/zinc/15/77/49/218157749.db2.gz VYEWURHKLNTIRS-ROUUACIJSA-N 2 0 340.515 3.158 20 0 EGADRP CCOc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1OC(F)F ZINC000093089305 218193075 /nfs/dbraw/zinc/19/30/75/218193075.db2.gz SDZMEASXUHYJRN-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000268744807 252195434 /nfs/dbraw/zinc/19/54/34/252195434.db2.gz ADEVYFFGNVXDAQ-HXUWFJFHSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000268829814 252278728 /nfs/dbraw/zinc/27/87/28/252278728.db2.gz SAIQJEYHCOITHD-INIZCTEOSA-N 2 0 330.501 3.006 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000132138149 533107478 /nfs/dbraw/zinc/10/74/78/533107478.db2.gz XBOOWKUMXLWUAY-VXGBXAGGSA-N 2 0 327.266 3.108 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000132138341 533171353 /nfs/dbraw/zinc/17/13/53/533171353.db2.gz XBOOWKUMXLWUAY-RYUDHWBXSA-N 2 0 327.266 3.108 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000118868340 221199276 /nfs/dbraw/zinc/19/92/76/221199276.db2.gz GPOQJXUKRXXMHB-UHFFFAOYSA-N 2 0 339.483 3.442 20 0 EGADRP [NH3+][C@H](CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000119481941 221330739 /nfs/dbraw/zinc/33/07/39/221330739.db2.gz IXMYLQZLQCHCJM-UXHICEINSA-N 2 0 337.467 3.030 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000155143871 224365990 /nfs/dbraw/zinc/36/59/90/224365990.db2.gz YSJMBJWPSITIOW-MSOLQXFVSA-N 2 0 338.499 3.035 20 0 EGADRP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000340523484 285392669 /nfs/dbraw/zinc/39/26/69/285392669.db2.gz DSFMOGSBUKCKLR-ZJOUEHCJSA-N 2 0 344.499 3.127 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000178035654 533296986 /nfs/dbraw/zinc/29/69/86/533296986.db2.gz HZRCKXCTKAOASZ-TWOQFEAHSA-N 2 0 332.488 3.162 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000132124119 533351800 /nfs/dbraw/zinc/35/18/00/533351800.db2.gz IYPCFLLGSSNNDJ-MRXNPFEDSA-N 2 0 344.503 3.238 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)C[C@@H]1C ZINC000346447443 141196664 /nfs/dbraw/zinc/19/66/64/141196664.db2.gz RBWJBJCJWABNFI-RYUDHWBXSA-N 2 0 332.357 3.005 20 0 EGADRP CSC1(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000348145965 141238361 /nfs/dbraw/zinc/23/83/61/141238361.db2.gz UJKYXYQCQNXWFV-UHFFFAOYSA-N 2 0 334.529 3.189 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000353442746 141296362 /nfs/dbraw/zinc/29/63/62/141296362.db2.gz QPVXZNRGFAAORR-ASFAAARLSA-N 2 0 344.503 3.494 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344621607 144200384 /nfs/dbraw/zinc/20/03/84/144200384.db2.gz GHEBXGMYPWVGOF-SUMWQHHRSA-N 2 0 332.879 3.406 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000344626914 144201633 /nfs/dbraw/zinc/20/16/33/144201633.db2.gz LOULHSFOQWMYJJ-WMZOPIPTSA-N 2 0 325.456 3.233 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000344797181 144225999 /nfs/dbraw/zinc/22/59/99/144225999.db2.gz RWHUEUXRCNRVOY-LJQANCHMSA-N 2 0 344.499 3.353 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@@H](COC)C2)CC1 ZINC000344883497 144236431 /nfs/dbraw/zinc/23/64/31/144236431.db2.gz CXAOEUKFOFOWMR-LJQANCHMSA-N 2 0 345.531 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341391990 155265498 /nfs/dbraw/zinc/26/54/98/155265498.db2.gz JWKGDXPQNRAAQM-YLJYHZDGSA-N 2 0 343.515 3.203 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000115628599 152021860 /nfs/dbraw/zinc/02/18/60/152021860.db2.gz VIBQFZRPCDNRIF-VQIMIIECSA-N 2 0 329.488 3.395 20 0 EGADRP CC(C)CCn1cccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000118951296 152160522 /nfs/dbraw/zinc/16/05/22/152160522.db2.gz DVSIFVNITHFXKU-UHFFFAOYSA-N 2 0 346.563 3.182 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120843252 152304083 /nfs/dbraw/zinc/30/40/83/152304083.db2.gz YVFMWJKCYMSTBK-CABCVRRESA-N 2 0 338.565 3.109 20 0 EGADRP C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)c1cccc(CO)c1 ZINC000121152055 152329310 /nfs/dbraw/zinc/32/93/10/152329310.db2.gz MGLXZHTYGYSKDJ-QGZVFWFLSA-N 2 0 335.451 3.317 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123101771 152443272 /nfs/dbraw/zinc/44/32/72/152443272.db2.gz FMJHUZSNGUISPG-IEBWSBKVSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1nc(C(C)(C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)sc1C ZINC000191579916 153207562 /nfs/dbraw/zinc/20/75/62/153207562.db2.gz FEARTPDMVHMILQ-UHFFFAOYSA-N 2 0 338.565 3.001 20 0 EGADRP COc1cccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000192707053 153254526 /nfs/dbraw/zinc/25/45/26/153254526.db2.gz GFZMJQDCIBRVKC-UHFFFAOYSA-N 2 0 329.419 3.236 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000192925919 153268884 /nfs/dbraw/zinc/26/88/84/153268884.db2.gz NTYQBOULXNKTJV-SFHVURJKSA-N 2 0 340.467 3.316 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])C(C)(C)C)CCCC1)c1ccccc1 ZINC000262665387 153842429 /nfs/dbraw/zinc/84/24/29/153842429.db2.gz JHOBSHUHMZONIR-NVXWUHKLSA-N 2 0 331.504 3.140 20 0 EGADRP OCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000310955930 154144048 /nfs/dbraw/zinc/14/40/48/154144048.db2.gz ZRTUBRKAESPOKJ-VXKWHMMOSA-N 2 0 336.479 3.133 20 0 EGADRP OCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000310955926 154144868 /nfs/dbraw/zinc/14/48/68/154144868.db2.gz ZRTUBRKAESPOKJ-FCHUYYIVSA-N 2 0 336.479 3.133 20 0 EGADRP FC(F)(F)OCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000336655116 154210303 /nfs/dbraw/zinc/21/03/03/154210303.db2.gz FNNLOKXFDBXKDA-OWCLPIDISA-N 2 0 328.378 3.023 20 0 EGADRP CCC1(CC)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCS1 ZINC000337311276 154275881 /nfs/dbraw/zinc/27/58/81/154275881.db2.gz CDAKEUYEXDOEQR-UHFFFAOYSA-N 2 0 327.582 3.010 20 0 EGADRP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[N@@H+]1C ZINC000346803572 156139757 /nfs/dbraw/zinc/13/97/57/156139757.db2.gz FZWOGWWEHQCTNE-FWZVCBSNSA-N 2 0 327.516 3.254 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346816667 156147961 /nfs/dbraw/zinc/14/79/61/156147961.db2.gz FAQWFBWLOHARCS-RYGJVYDSSA-N 2 0 342.462 3.187 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@H]21 ZINC000346821614 156153159 /nfs/dbraw/zinc/15/31/59/156153159.db2.gz IZLYCRMUTKPLFS-ILZDJORESA-N 2 0 325.431 3.447 20 0 EGADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346838925 156161396 /nfs/dbraw/zinc/16/13/96/156161396.db2.gz XWTXIILRHUTFLM-BZSNNMDCSA-N 2 0 332.488 3.433 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346849016 156163406 /nfs/dbraw/zinc/16/34/06/156163406.db2.gz GFHOXCSVAYFJQC-KSZLIROESA-N 2 0 332.488 3.433 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000349117072 156358899 /nfs/dbraw/zinc/35/88/99/156358899.db2.gz JJYFXEQOVBJBGL-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP CCc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000372732504 157373944 /nfs/dbraw/zinc/37/39/44/157373944.db2.gz PIHGKTXENLZWPN-UHFFFAOYSA-N 2 0 329.532 3.099 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000372745751 157376098 /nfs/dbraw/zinc/37/60/98/157376098.db2.gz VNEFNMWZQRIKRJ-QAPCUYQASA-N 2 0 335.923 3.202 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccs1 ZINC000090038545 161904312 /nfs/dbraw/zinc/90/43/12/161904312.db2.gz GOUIZRHQLAWNMS-QGZVFWFLSA-N 2 0 345.512 3.280 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000154928638 286920068 /nfs/dbraw/zinc/92/00/68/286920068.db2.gz CLBFRGSBHMUHHS-WMLDXEAASA-N 2 0 339.911 3.025 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1)C1CC1 ZINC000114376868 162229849 /nfs/dbraw/zinc/22/98/49/162229849.db2.gz PYEYWZMIXSHGQZ-FQEVSTJZSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@@H](CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000125335715 162269795 /nfs/dbraw/zinc/26/97/95/162269795.db2.gz ADWLGQBYXSXSNP-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1csc(N2CCC([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CC2)n1 ZINC000125886945 162290069 /nfs/dbraw/zinc/29/00/69/162290069.db2.gz GOURWCLEAFRMPC-INIZCTEOSA-N 2 0 338.565 3.376 20 0 EGADRP CCOc1ccc(NC(=O)CC[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000137517730 162543051 /nfs/dbraw/zinc/54/30/51/162543051.db2.gz IZINJJRJZYSDLH-UHFFFAOYSA-N 2 0 347.503 3.078 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000247989779 162981814 /nfs/dbraw/zinc/98/18/14/162981814.db2.gz JGVREPBHBBFIHH-FGTMMUONSA-N 2 0 346.515 3.278 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000248483926 163009442 /nfs/dbraw/zinc/00/94/42/163009442.db2.gz JSERZDPCCJMWMB-SFHLNBCPSA-N 2 0 344.547 3.146 20 0 EGADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000248689757 163028067 /nfs/dbraw/zinc/02/80/67/163028067.db2.gz ALDAYYFXJPBEDL-UTKZUKDTSA-N 2 0 339.483 3.198 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000248877731 163041040 /nfs/dbraw/zinc/04/10/40/163041040.db2.gz JUYCMHHWURLCDW-OTYNDTSQSA-N 2 0 327.516 3.112 20 0 EGADRP C[C@@H]1C[C@H](NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@@H+]1C ZINC000248926784 163046999 /nfs/dbraw/zinc/04/69/99/163046999.db2.gz GAQWAEWRBQVARI-KBRIMQKVSA-N 2 0 343.437 3.380 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000338580583 163280883 /nfs/dbraw/zinc/28/08/83/163280883.db2.gz KSXLYQLVJSPRQV-SFHVURJKSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](CC)C(C)C)cc1)C1CC1 ZINC000338767544 163343040 /nfs/dbraw/zinc/34/30/40/163343040.db2.gz PWJSYXJCRHKCGG-UHFFFAOYSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000343761879 164029294 /nfs/dbraw/zinc/02/92/94/164029294.db2.gz ILZUGPYBWZIAOK-PXNSSMCTSA-N 2 0 327.516 3.428 20 0 EGADRP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343806808 164039507 /nfs/dbraw/zinc/03/95/07/164039507.db2.gz FHJRDXAQAWQWEC-CTNGQTDRSA-N 2 0 330.516 3.382 20 0 EGADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(OC)c1 ZINC000343950219 164071704 /nfs/dbraw/zinc/07/17/04/164071704.db2.gz ZEERGWMNYSIBCK-IBGZPJMESA-N 2 0 343.471 3.272 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000344079158 164099005 /nfs/dbraw/zinc/09/90/05/164099005.db2.gz SVHFSSRONNTNSF-UXHICEINSA-N 2 0 346.515 3.107 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000344124458 164109205 /nfs/dbraw/zinc/10/92/05/164109205.db2.gz WYIOAKSUIVJYTJ-GOSISDBHSA-N 2 0 345.874 3.453 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C(F)F)cc1 ZINC000344138403 164112704 /nfs/dbraw/zinc/11/27/04/164112704.db2.gz XXXSAHDSAGZIHO-UHFFFAOYSA-N 2 0 339.474 3.474 20 0 EGADRP C[N@@H+](Cc1ccncc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354901174 166059425 /nfs/dbraw/zinc/05/94/25/166059425.db2.gz QZSFSUFHMNIIMA-UHFFFAOYSA-N 2 0 330.863 3.478 20 0 EGADRP CC[C@H]1C[C@@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350263734 165024115 /nfs/dbraw/zinc/02/41/15/165024115.db2.gz JUUUMNSIOORRJE-ICSRJNTNSA-N 2 0 331.504 3.435 20 0 EGADRP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000352075686 165221959 /nfs/dbraw/zinc/22/19/59/165221959.db2.gz FILZMGXZRLZOLF-KXBFYZLASA-N 2 0 349.482 3.267 20 0 EGADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000355225001 166139560 /nfs/dbraw/zinc/13/95/60/166139560.db2.gz RDNIBDMQLDTFAQ-HKUYNNGSSA-N 2 0 339.483 3.133 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000355661099 166277265 /nfs/dbraw/zinc/27/72/65/166277265.db2.gz RHLPNRCJTMXWBU-NUJGCVRESA-N 2 0 331.504 3.105 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000355781252 166307839 /nfs/dbraw/zinc/30/78/39/166307839.db2.gz WGABGNRSOBWTHQ-PKOBYXMFSA-N 2 0 332.488 3.066 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cc2c(C)c1 ZINC000358954700 167018017 /nfs/dbraw/zinc/01/80/17/167018017.db2.gz PQDPVYJAELBNHU-SFHVURJKSA-N 2 0 329.488 3.111 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359229758 167102693 /nfs/dbraw/zinc/10/26/93/167102693.db2.gz ZDPZUJNQKWBUCH-UHFFFAOYSA-N 3 0 329.532 3.220 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000359505391 167174921 /nfs/dbraw/zinc/17/49/21/167174921.db2.gz AUYJDTUGJQJSKH-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000360590193 167365245 /nfs/dbraw/zinc/36/52/45/167365245.db2.gz BKPAWHXWVOWASC-QGZVFWFLSA-N 2 0 333.451 3.311 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000366741123 168135072 /nfs/dbraw/zinc/13/50/72/168135072.db2.gz TYJRPVNJGJFSQC-ROUUACIJSA-N 2 0 338.536 3.014 20 0 EGADRP Cc1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1-c1ccccc1 ZINC000366954332 168161086 /nfs/dbraw/zinc/16/10/86/168161086.db2.gz PJGRAQMNFODNRD-UHFFFAOYSA-N 2 0 338.499 3.489 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC000072959912 287275748 /nfs/dbraw/zinc/27/57/48/287275748.db2.gz AWBKLRYEJCPTBX-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262243496 287276308 /nfs/dbraw/zinc/27/63/08/287276308.db2.gz BZGGJRBUNWLRQW-UWVAXJGDSA-N 2 0 343.515 3.195 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C[NH+]1CCCC1 ZINC000165276658 226117029 /nfs/dbraw/zinc/11/70/29/226117029.db2.gz YQACAZCSYRMGCJ-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP CN(C(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123382762 222268283 /nfs/dbraw/zinc/26/82/83/222268283.db2.gz BSIXVHAIBXIWTL-UHFFFAOYSA-N 2 0 331.504 3.093 20 0 EGADRP CCc1cccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173947768 265013481 /nfs/dbraw/zinc/01/34/81/265013481.db2.gz RAGRIKHAXLLLFV-UHFFFAOYSA-N 2 0 346.515 3.205 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000177489022 265256343 /nfs/dbraw/zinc/25/63/43/265256343.db2.gz KPGLDIBEPQXZCL-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000178035463 265293430 /nfs/dbraw/zinc/29/34/30/265293430.db2.gz XTQLMIINIZAWDO-ROUUACIJSA-N 2 0 333.520 3.152 20 0 EGADRP COc1ccsc1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000186134569 265515003 /nfs/dbraw/zinc/51/50/03/265515003.db2.gz CEXSBOARWPPKQO-KKUMJFAQSA-N 2 0 326.506 3.297 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189270769 265749372 /nfs/dbraw/zinc/74/93/72/265749372.db2.gz KTMLAMHHBWECMZ-PMACEKPBSA-N 2 0 329.532 3.013 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227133161 266199607 /nfs/dbraw/zinc/19/96/07/266199607.db2.gz VDIREGCTJOHDKT-HZPDHXFCSA-N 2 0 327.513 3.096 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000271492123 266672860 /nfs/dbraw/zinc/67/28/60/266672860.db2.gz KNKNZYGXGWKBPZ-CEXWTWQISA-N 2 0 334.891 3.295 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000273309263 267016774 /nfs/dbraw/zinc/01/67/74/267016774.db2.gz WFQXTAZZNCCVQN-LSDHHAIUSA-N 2 0 337.533 3.168 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274897813 267303459 /nfs/dbraw/zinc/30/34/59/267303459.db2.gz KQQABFMRNGHCOO-CEWLAPEOSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H]([NH2+]C1CCC2(CC1)OCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274962949 267311204 /nfs/dbraw/zinc/31/12/04/267311204.db2.gz WXYZTDJYPILEMQ-HKUYNNGSSA-N 2 0 344.499 3.172 20 0 EGADRP C[C@@H]([NH2+]CCCNc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274974821 267313335 /nfs/dbraw/zinc/31/33/35/267313335.db2.gz YLMHNZOONYRMJL-QUCCMNQESA-N 2 0 338.499 3.384 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cncc(F)c1 ZINC000275129728 267321609 /nfs/dbraw/zinc/32/16/09/267321609.db2.gz LQNOEFWYGDZYOU-UHFFFAOYSA-N 2 0 328.435 3.354 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000278567928 268041995 /nfs/dbraw/zinc/04/19/95/268041995.db2.gz WYFNYIPBLRLFPJ-GOSISDBHSA-N 2 0 334.529 3.250 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278580928 268044458 /nfs/dbraw/zinc/04/44/58/268044458.db2.gz YEAJEQVNKNQYIQ-CQSZACIVSA-N 2 0 333.451 3.007 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000305763060 275052915 /nfs/dbraw/zinc/05/29/15/275052915.db2.gz AAXATMBCSKOSLJ-OKZBNKHCSA-N 2 0 334.529 3.483 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000044517665 275131672 /nfs/dbraw/zinc/13/16/72/275131672.db2.gz MTFAZBICZHGBCH-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C)o2)CC1 ZINC000061070212 275150304 /nfs/dbraw/zinc/15/03/04/275150304.db2.gz NJHXTRDVJASYPN-UHFFFAOYSA-N 2 0 327.472 3.015 20 0 EGADRP CC1(C)OCc2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)ccc2O1 ZINC000278692344 275266189 /nfs/dbraw/zinc/26/61/89/275266189.db2.gz MZGHXBAGWUBKMZ-UHFFFAOYSA-N 2 0 330.472 3.296 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281529719 275556287 /nfs/dbraw/zinc/55/62/87/275556287.db2.gz IDNGGORMMCGFII-CEXWTWQISA-N 2 0 333.520 3.363 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000367051090 275950269 /nfs/dbraw/zinc/95/02/69/275950269.db2.gz VQLJLCHTRGORBZ-LEWJYISDSA-N 2 0 329.532 3.328 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000151135378 276014154 /nfs/dbraw/zinc/01/41/54/276014154.db2.gz CLAQEGPDXGTZNC-ZGGTZUKQSA-N 2 0 341.499 3.141 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338945520 276074787 /nfs/dbraw/zinc/07/47/87/276074787.db2.gz RVWKESSTTLASLO-QGZVFWFLSA-N 2 0 326.488 3.169 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000343044323 276095615 /nfs/dbraw/zinc/09/56/15/276095615.db2.gz HSQYLCXPLUVROM-KZNAEPCWSA-N 2 0 337.552 3.218 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000287631248 276142073 /nfs/dbraw/zinc/14/20/73/276142073.db2.gz KJFGSZVRIPDVSI-HZPDHXFCSA-N 2 0 330.394 3.208 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000287733467 276151715 /nfs/dbraw/zinc/15/17/15/276151715.db2.gz PGUVTNXIPBRSIH-CZUORRHYSA-N 2 0 346.874 3.113 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154476270 276194813 /nfs/dbraw/zinc/19/48/13/276194813.db2.gz VJCTUWNBRBHTMR-GOSISDBHSA-N 2 0 333.520 3.300 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353294731 276196322 /nfs/dbraw/zinc/19/63/22/276196322.db2.gz WATNGKUCUKCNHM-HZPDHXFCSA-N 2 0 331.495 3.064 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000346614369 276203051 /nfs/dbraw/zinc/20/30/51/276203051.db2.gz VBMHOTCBMHIATB-FTRWYGJKSA-N 2 0 349.494 3.186 20 0 EGADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367816334 276275299 /nfs/dbraw/zinc/27/52/99/276275299.db2.gz SPHXPDSXENYDTG-WMZOPIPTSA-N 2 0 336.520 3.305 20 0 EGADRP CCCn1nc(C)c(C[N@H+](C)CCCN(C)Cc2ccco2)c1C ZINC000289145632 276296562 /nfs/dbraw/zinc/29/65/62/276296562.db2.gz AQTOKCBOCAHJNN-UHFFFAOYSA-N 2 0 332.492 3.457 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000369951942 276298313 /nfs/dbraw/zinc/29/83/13/276298313.db2.gz QIPYYABODWZEMV-YLJYHZDGSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H](C[NH2+][C@H](C)C1(c2ccccc2)CCCC1)N1CC[NH+](C)CC1 ZINC000289276405 276314971 /nfs/dbraw/zinc/31/49/71/276314971.db2.gz PROVDZUOJIFDRZ-RTBURBONSA-N 2 0 329.532 3.112 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000121057674 276334733 /nfs/dbraw/zinc/33/47/33/276334733.db2.gz AJYKCWVKGZXIRA-IBGZPJMESA-N 2 0 326.488 3.429 20 0 EGADRP C[C@@H](CCc1ccco1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290338930 276482283 /nfs/dbraw/zinc/48/22/83/276482283.db2.gz PIRMQVBHWCNEJU-INIZCTEOSA-N 2 0 331.460 3.116 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000150982221 276788922 /nfs/dbraw/zinc/78/89/22/276788922.db2.gz PSCKEERGUXYPDP-LJQANCHMSA-N 2 0 343.515 3.049 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc2C1 ZINC000361052200 278055992 /nfs/dbraw/zinc/05/59/92/278055992.db2.gz MHYQASXECDQRGA-RXVVDRJESA-N 2 0 343.515 3.190 20 0 EGADRP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338358195 278076617 /nfs/dbraw/zinc/07/66/17/278076617.db2.gz WHSZASFBHRNMHK-AWEZNQCLSA-N 2 0 325.403 3.038 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000186563617 278231631 /nfs/dbraw/zinc/23/16/31/278231631.db2.gz YSNXVDGLVAFNAG-PKOBYXMFSA-N 2 0 343.515 3.049 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000246883572 279044739 /nfs/dbraw/zinc/04/47/39/279044739.db2.gz WPXWXMKJFHCPHG-ICSRJNTNSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517978 288102664 /nfs/dbraw/zinc/10/26/64/288102664.db2.gz FKCXTDCYWDASPV-WYEXVOONSA-N 2 0 347.469 3.110 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000344242489 279153092 /nfs/dbraw/zinc/15/30/92/279153092.db2.gz YCALVOMYLXDQLQ-UXHICEINSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000353513270 279272919 /nfs/dbraw/zinc/27/29/19/279272919.db2.gz FIIJEZXVHOOTDE-QAPCUYQASA-N 2 0 340.458 3.112 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000241775927 279366514 /nfs/dbraw/zinc/36/65/14/279366514.db2.gz RQGJKJKJCRVKNJ-HYVNUMGLSA-N 2 0 328.566 3.264 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+](CC)CC ZINC000359152252 280683151 /nfs/dbraw/zinc/68/31/51/280683151.db2.gz BUOYDPYOIBAHLS-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347528872 290391579 /nfs/dbraw/zinc/39/15/79/290391579.db2.gz TWXFXWQLOPRSMT-DLBZAZTESA-N 2 0 341.499 3.016 20 0 EGADRP Cc1nc2c(s1)[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)CCC2 ZINC000178039345 293437897 /nfs/dbraw/zinc/43/78/97/293437897.db2.gz PJTZPYIOPKMERH-IIAWOOMASA-N 2 0 337.533 3.308 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)CCC)CC1 ZINC000066960703 307363975 /nfs/dbraw/zinc/36/39/75/307363975.db2.gz VENLDGPXRKSFSS-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)CCC)CC1 ZINC000066960702 307364172 /nfs/dbraw/zinc/36/41/72/307364172.db2.gz VENLDGPXRKSFSS-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[NH+](CCCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000072518290 307379648 /nfs/dbraw/zinc/37/96/48/307379648.db2.gz CRJISBIFONTJER-GOSISDBHSA-N 2 0 340.556 3.011 20 0 EGADRP CC(C)(C[NH+]1CCCC1)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413862685 309050502 /nfs/dbraw/zinc/05/05/02/309050502.db2.gz POKSQZYSPAXUHJ-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ncccc2C)CC1 ZINC000088716787 307447493 /nfs/dbraw/zinc/44/74/93/307447493.db2.gz QTTVKTMHRJVZET-UHFFFAOYSA-N 2 0 338.499 3.212 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414072705 309059099 /nfs/dbraw/zinc/05/90/99/309059099.db2.gz VCNZIDBQDHJAME-MRXNPFEDSA-N 2 0 344.528 3.098 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414081502 309059749 /nfs/dbraw/zinc/05/97/49/309059749.db2.gz FBTXXSLMAIHVIU-PKOBYXMFSA-N 2 0 336.907 3.270 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414124771 309062377 /nfs/dbraw/zinc/06/23/77/309062377.db2.gz CLNACVNBWPBFNJ-YLJYHZDGSA-N 2 0 339.483 3.133 20 0 EGADRP CSC1(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000414169371 309064535 /nfs/dbraw/zinc/06/45/35/309064535.db2.gz VLXSGQZHYAZZBX-HUUCEWRRSA-N 2 0 328.566 3.386 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414173801 309064772 /nfs/dbraw/zinc/06/47/72/309064772.db2.gz GDXVKLNHNCWGDA-QUCCMNQESA-N 2 0 341.503 3.039 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150990101 307726668 /nfs/dbraw/zinc/72/66/68/307726668.db2.gz JYEBLQBWSXYEFY-OAQYLSRUSA-N 2 0 331.548 3.259 20 0 EGADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OC)cc1 ZINC000154351481 307792723 /nfs/dbraw/zinc/79/27/23/307792723.db2.gz GCVCANLZOVKRNX-HXUWFJFHSA-N 2 0 333.520 3.154 20 0 EGADRP COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000414308464 309071900 /nfs/dbraw/zinc/07/19/00/309071900.db2.gz QHTIIYICFRUHGV-FRYIKTPZSA-N 2 0 328.500 3.444 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000414341797 309073860 /nfs/dbraw/zinc/07/38/60/309073860.db2.gz ONTMCAHAAGPIDU-FQEVSTJZSA-N 2 0 343.515 3.052 20 0 EGADRP COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248648988 308008631 /nfs/dbraw/zinc/00/86/31/308008631.db2.gz VDXWFRSXFWLYPD-WMLDXEAASA-N 2 0 346.496 3.174 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000249181177 308020804 /nfs/dbraw/zinc/02/08/04/308020804.db2.gz IDSXAFYPMGISHD-UIAACRFSSA-N 2 0 334.479 3.114 20 0 EGADRP Cc1nccn1CCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000292828991 308070254 /nfs/dbraw/zinc/07/02/54/308070254.db2.gz UACWATXKJKEMHE-OAHLLOKOSA-N 2 0 342.443 3.279 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292881139 308075716 /nfs/dbraw/zinc/07/57/16/308075716.db2.gz DYAOCFKNHXNMAB-RDTXWAMCSA-N 2 0 335.879 3.085 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCc3nc(-c4ccccc4)no3)C2)C1 ZINC000292966658 308084941 /nfs/dbraw/zinc/08/49/41/308084941.db2.gz LWJGAMKUPFZZPB-HXUWFJFHSA-N 2 0 340.471 3.087 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)OCC2CC2)CC1 ZINC000414519245 309086059 /nfs/dbraw/zinc/08/60/59/309086059.db2.gz WWKVUIDVALBBBB-UHFFFAOYSA-N 2 0 345.531 3.123 20 0 EGADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000295008368 308281010 /nfs/dbraw/zinc/28/10/10/308281010.db2.gz JDUFKDPPFVBOIQ-XDWAVFMPSA-N 2 0 328.500 3.038 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000295184116 308300420 /nfs/dbraw/zinc/30/04/20/308300420.db2.gz NDZHQHCHDKAMEV-QFBILLFUSA-N 2 0 339.483 3.240 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000295209110 308303002 /nfs/dbraw/zinc/30/30/02/308303002.db2.gz PVNZUZRLUOVUIP-XLIONFOSSA-N 2 0 339.483 3.022 20 0 EGADRP CCn1ccnc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000296045362 308387899 /nfs/dbraw/zinc/38/78/99/308387899.db2.gz QUQVRJXJBDWSRO-KRWDZBQOSA-N 2 0 326.488 3.466 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000296056802 308389171 /nfs/dbraw/zinc/38/91/71/308389171.db2.gz VOBJUCSZDCBQPW-RIJRJKGBSA-N 2 0 342.487 3.246 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414670749 309094767 /nfs/dbraw/zinc/09/47/67/309094767.db2.gz MMCQVAVYAMEFOM-IPELMVKDSA-N 2 0 338.499 3.339 20 0 EGADRP C[C@H]1C[C@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000414752658 309098776 /nfs/dbraw/zinc/09/87/76/309098776.db2.gz LAEBKLSWJJAYSH-PZJWPPBQSA-N 3 0 341.543 3.363 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC[NH2+]1 ZINC000414750728 309098810 /nfs/dbraw/zinc/09/88/10/309098810.db2.gz RKAIZXJGRPOZJA-LMCLETFFSA-N 2 0 343.298 3.271 20 0 EGADRP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCC(C)C ZINC000414762686 309099235 /nfs/dbraw/zinc/09/92/35/309099235.db2.gz AVRNLUPXKJBDFB-HDICACEKSA-N 2 0 332.488 3.161 20 0 EGADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297611643 308549948 /nfs/dbraw/zinc/54/99/48/308549948.db2.gz KQJLGERITNZHGY-UZLBHIALSA-N 2 0 325.456 3.152 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC12CCOCC2 ZINC000414773085 309099926 /nfs/dbraw/zinc/09/99/26/309099926.db2.gz CWMQVRKSHDYSLJ-ZDUSSCGKSA-N 2 0 334.847 3.274 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000414777923 309100381 /nfs/dbraw/zinc/10/03/81/309100381.db2.gz IPRLGKWZGCQIEI-ZWKOTPCHSA-N 2 0 338.499 3.217 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC(F)F ZINC000414778971 309100525 /nfs/dbraw/zinc/10/05/25/309100525.db2.gz JVGQGQLSELDEMT-CABCVRRESA-N 2 0 340.414 3.118 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414779429 309100551 /nfs/dbraw/zinc/10/05/51/309100551.db2.gz KBCOZQQIJYDXKM-HUUCEWRRSA-N 2 0 338.879 3.179 20 0 EGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414782700 309100823 /nfs/dbraw/zinc/10/08/23/309100823.db2.gz OREAKVMSTAWSCH-IAGOWNOFSA-N 2 0 344.890 3.347 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788489 309101399 /nfs/dbraw/zinc/10/13/99/309101399.db2.gz WPJGTAWTUNOZOP-SBHAEUEKSA-N 2 0 344.499 3.066 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc(Cl)c1OC ZINC000414796593 309101969 /nfs/dbraw/zinc/10/19/69/309101969.db2.gz HUBCKDXKEFZBBW-ZFWWWQNUSA-N 2 0 326.868 3.354 20 0 EGADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414799070 309102210 /nfs/dbraw/zinc/10/22/10/309102210.db2.gz ZWTFZLBEMBURQM-CTNGQTDRSA-N 2 0 340.467 3.177 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414799109 309102273 /nfs/dbraw/zinc/10/22/73/309102273.db2.gz JOLQIZFJALMFLK-DZGCQCFKSA-N 2 0 338.377 3.108 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414806487 309102574 /nfs/dbraw/zinc/10/25/74/309102574.db2.gz QLDQWFZBXZXNEW-OFQRWUPVSA-N 2 0 337.895 3.473 20 0 EGADRP COCCOc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414806056 309102595 /nfs/dbraw/zinc/10/25/95/309102595.db2.gz HAHPXEFWKDANET-OAHLLOKOSA-N 2 0 344.455 3.030 20 0 EGADRP COc1c(Br)cccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414815029 309103307 /nfs/dbraw/zinc/10/33/07/309103307.db2.gz ZUXZYCMYZKDDCC-BXUZGUMPSA-N 2 0 327.266 3.065 20 0 EGADRP [NH3+][C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000414829185 309104337 /nfs/dbraw/zinc/10/43/37/309104337.db2.gz KIKYZENOZTVNQY-GXRSIYKFSA-N 2 0 335.495 3.187 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834863 309104631 /nfs/dbraw/zinc/10/46/31/309104631.db2.gz HZIORMLOIWJIIX-INIZCTEOSA-N 2 0 325.456 3.237 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000309962019 308763088 /nfs/dbraw/zinc/76/30/88/308763088.db2.gz IYJCDPJVMAZLAL-HNNXBMFYSA-N 2 0 327.513 3.144 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCCCC1 ZINC000414848997 309105323 /nfs/dbraw/zinc/10/53/23/309105323.db2.gz WXSASFXJJHKIFU-HSALFYBXSA-N 2 0 327.516 3.148 20 0 EGADRP Cc1cc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c2cc(F)ccc2[nH+]1 ZINC000333831216 308869376 /nfs/dbraw/zinc/86/93/76/308869376.db2.gz JKVRHAWJJGGKCZ-APWZRJJASA-N 2 0 329.419 3.015 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2C)CC1 ZINC000411457211 308939909 /nfs/dbraw/zinc/93/99/09/308939909.db2.gz HIROYWFVJGNWTN-FQEVSTJZSA-N 2 0 345.531 3.272 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414849832 309105428 /nfs/dbraw/zinc/10/54/28/309105428.db2.gz MDKJWSZQMCHWAJ-OAHLLOKOSA-N 2 0 332.879 3.313 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414859940 309106058 /nfs/dbraw/zinc/10/60/58/309106058.db2.gz UZYHUZUTBJVXGW-YPMHNXCESA-N 2 0 329.257 3.108 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946696 309110774 /nfs/dbraw/zinc/11/07/74/309110774.db2.gz JUQUQHBYBVJDBS-NTZNESFSSA-N 2 0 329.257 3.249 20 0 EGADRP c1ccc(C[NH+]2CCC(NC[C@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414957658 309111417 /nfs/dbraw/zinc/11/14/17/309111417.db2.gz QINYUGLAQNZJIF-JOCHJYFZSA-N 2 0 335.495 3.128 20 0 EGADRP COc1c(Br)cccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414964164 309111877 /nfs/dbraw/zinc/11/18/77/309111877.db2.gz LWRCVRRANNXILY-CYBMUJFWSA-N 2 0 327.266 3.080 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414966569 309112035 /nfs/dbraw/zinc/11/20/35/309112035.db2.gz GUBQOENDELKZJA-INIZCTEOSA-N 2 0 348.441 3.389 20 0 EGADRP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414975178 309112352 /nfs/dbraw/zinc/11/23/52/309112352.db2.gz LHTPJPZJBQACST-IBGZPJMESA-N 2 0 346.519 3.210 20 0 EGADRP c1ccc(COc2cccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)c2)nc1 ZINC000414981558 309112609 /nfs/dbraw/zinc/11/26/09/309112609.db2.gz YAZOJVGAUGLXCI-SFHVURJKSA-N 2 0 325.456 3.282 20 0 EGADRP CCOc1cccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1OC(F)F ZINC000414997835 309113296 /nfs/dbraw/zinc/11/32/96/309113296.db2.gz QCKWCULHHCSKIQ-GXTWGEPZSA-N 2 0 328.403 3.294 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000414996684 309113397 /nfs/dbraw/zinc/11/33/97/309113397.db2.gz GQRZWYHFWBZHDI-VQIMIIECSA-N 2 0 325.456 3.268 20 0 EGADRP COc1sc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415011542 309114183 /nfs/dbraw/zinc/11/41/83/309114183.db2.gz WCESFUHINIAVMK-NXEZZACHSA-N 2 0 333.295 3.126 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011905 309114295 /nfs/dbraw/zinc/11/42/95/309114295.db2.gz RKRPQMOCMCYPDN-OAUYIBNBSA-N 2 0 337.305 3.358 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415017149 309114536 /nfs/dbraw/zinc/11/45/36/309114536.db2.gz FBUJDGMLLUNCST-ZDUSSCGKSA-N 2 0 334.895 3.419 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415046324 309116322 /nfs/dbraw/zinc/11/63/22/309116322.db2.gz UYMXFSYMJDGFLO-ZBFHGGJFSA-N 2 0 332.879 3.360 20 0 EGADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415055394 309116905 /nfs/dbraw/zinc/11/69/05/309116905.db2.gz OSMSOYCDHLZHMD-HKUYNNGSSA-N 2 0 331.504 3.237 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000415076435 309118562 /nfs/dbraw/zinc/11/85/62/309118562.db2.gz CIFFBFIWOJXAGO-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000415084169 309119153 /nfs/dbraw/zinc/11/91/53/309119153.db2.gz OHQFRSMUARUYRK-HSALFYBXSA-N 2 0 342.531 3.328 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415084356 309119180 /nfs/dbraw/zinc/11/91/80/309119180.db2.gz OWSGUXVTPYJYAD-MJGOQNOKSA-N 2 0 326.488 3.315 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415084825 309119226 /nfs/dbraw/zinc/11/92/26/309119226.db2.gz PYRZUNCCEVXTFT-QRFRQXIXSA-N 2 0 332.488 3.044 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000415086634 309119423 /nfs/dbraw/zinc/11/94/23/309119423.db2.gz JVRLDZCWGRDCEI-HSALFYBXSA-N 2 0 338.499 3.499 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000415112383 309121109 /nfs/dbraw/zinc/12/11/09/309121109.db2.gz SDJATYZFGDJDDD-LEWJYISDSA-N 2 0 346.515 3.454 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000415115729 309121261 /nfs/dbraw/zinc/12/12/61/309121261.db2.gz XFHSKMGVFWWJDM-IAGOWNOFSA-N 2 0 326.843 3.197 20 0 EGADRP COc1ccc([C@H](C)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415122719 309121823 /nfs/dbraw/zinc/12/18/23/309121823.db2.gz KMLCQMIZMCACNY-BPAFIMBUSA-N 2 0 332.488 3.017 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415125392 309122278 /nfs/dbraw/zinc/12/22/78/309122278.db2.gz LDGYCTCUBWUVGX-JSGCOSHPSA-N 2 0 346.393 3.053 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C1 ZINC000415127242 309122462 /nfs/dbraw/zinc/12/24/62/309122462.db2.gz QOSGUBDLHFBTMW-WBVHZDCISA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OC(F)F)CC2)C1 ZINC000415129404 309122549 /nfs/dbraw/zinc/12/25/49/309122549.db2.gz USFVMFROTDUNQX-WBVHZDCISA-N 2 0 340.414 3.006 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415563200 309136886 /nfs/dbraw/zinc/13/68/86/309136886.db2.gz HHUVMUYNWOMMGN-UHFFFAOYSA-N 2 0 346.519 3.164 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C(CC)CC)[NH+](C)C)c1 ZINC000415903963 309147128 /nfs/dbraw/zinc/14/71/28/309147128.db2.gz FNVPMROCQFNIDH-SFHVURJKSA-N 2 0 334.508 3.284 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000415918579 309148548 /nfs/dbraw/zinc/14/85/48/309148548.db2.gz LLJNDZHAIUPWFP-MRXNPFEDSA-N 2 0 332.492 3.182 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000415939714 309150203 /nfs/dbraw/zinc/15/02/03/309150203.db2.gz ZJCHVLYQQWERMZ-JKSUJKDBSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415972131 309151979 /nfs/dbraw/zinc/15/19/79/309151979.db2.gz LWQKZQCUZYTHMY-IEBWSBKVSA-N 2 0 346.519 3.428 20 0 EGADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000417038801 309190715 /nfs/dbraw/zinc/19/07/15/309190715.db2.gz WDJMIJBKPKDHRM-KRWDZBQOSA-N 2 0 346.519 3.018 20 0 EGADRP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297481 309279975 /nfs/dbraw/zinc/27/99/75/309279975.db2.gz FYMZQIVEXAPHJA-DVMWJLJYSA-N 2 0 342.458 3.140 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000420304433 309280666 /nfs/dbraw/zinc/28/06/66/309280666.db2.gz OMBJEXJEIAKXER-QGZVFWFLSA-N 2 0 332.488 3.161 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000420309961 309281034 /nfs/dbraw/zinc/28/10/34/309281034.db2.gz UNQGATBOWZPUCY-OAHLLOKOSA-N 2 0 330.394 3.402 20 0 EGADRP COC(=O)c1cc2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)ccc2o1 ZINC000420316305 309281507 /nfs/dbraw/zinc/28/15/07/309281507.db2.gz NFJKVAMIYQZQDH-MRXNPFEDSA-N 2 0 342.439 3.041 20 0 EGADRP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420321254 309282019 /nfs/dbraw/zinc/28/20/19/309282019.db2.gz COWOYUJLAYVRPZ-ROUUACIJSA-N 2 0 325.456 3.472 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340056 309283287 /nfs/dbraw/zinc/28/32/87/309283287.db2.gz MLOKLPFPARTWBL-QZTJIDSGSA-N 2 0 330.472 3.109 20 0 EGADRP COc1ccc(Cl)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420387315 309285681 /nfs/dbraw/zinc/28/56/81/309285681.db2.gz VTBIJHZCLWBTCI-ZWKOTPCHSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000420385370 309285716 /nfs/dbraw/zinc/28/57/16/309285716.db2.gz SWMILRXHDDFPCJ-RTWAWAEBSA-N 2 0 346.515 3.291 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c2ccccc2n1 ZINC000420396317 309286287 /nfs/dbraw/zinc/28/62/87/309286287.db2.gz VQGXCGPEDPNCJQ-RXVVDRJESA-N 2 0 339.483 3.262 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(C)C ZINC000420407217 309287000 /nfs/dbraw/zinc/28/70/00/309287000.db2.gz OFWSIGOWPXRPPI-ACRUOGEOSA-N 2 0 326.484 3.213 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C[NH3+] ZINC000420417868 309287162 /nfs/dbraw/zinc/28/71/62/309287162.db2.gz WNDLCGZWHWZQCA-WMZOPIPTSA-N 2 0 334.467 3.418 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000421380422 309321703 /nfs/dbraw/zinc/32/17/03/309321703.db2.gz VSCACONUVFKQIY-ZLPCBKJTSA-N 2 0 334.504 3.406 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1 ZINC000421380641 309321796 /nfs/dbraw/zinc/32/17/96/309321796.db2.gz YROWUHSHIHTPQO-AOCRQIFASA-N 2 0 331.504 3.483 20 0 EGADRP COC1([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CCCC1 ZINC000421826138 309341893 /nfs/dbraw/zinc/34/18/93/309341893.db2.gz RCKNLXLFKCUESK-AZUAARDMSA-N 2 0 330.516 3.488 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCC1 ZINC000421842493 309342835 /nfs/dbraw/zinc/34/28/35/309342835.db2.gz OAGGTYCWXQZMML-PXNSSMCTSA-N 2 0 346.515 3.081 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000422560164 309361600 /nfs/dbraw/zinc/36/16/00/309361600.db2.gz FYNVZCMERSQKAF-AOIWGVFYSA-N 2 0 339.483 3.466 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422700006 309363556 /nfs/dbraw/zinc/36/35/56/309363556.db2.gz FTLKDWBAAKCIIX-XHDPSFHLSA-N 2 0 329.257 3.108 20 0 EGADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704577 309363725 /nfs/dbraw/zinc/36/37/25/309363725.db2.gz ABFZFPGCXYYFPR-SAJDGTNDSA-N 2 0 344.499 3.427 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422712737 309364363 /nfs/dbraw/zinc/36/43/63/309364363.db2.gz IUEIBGKRPMUIKE-HLRQEUIKSA-N 2 0 341.543 3.334 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)CCC[NH3+])c2)cc1 ZINC000422717938 309364568 /nfs/dbraw/zinc/36/45/68/309364568.db2.gz WLUOTYAVLFHWAP-MRXNPFEDSA-N 2 0 325.456 3.464 20 0 EGADRP CC[N@H+](C)Cc1cccc(CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422742506 309366315 /nfs/dbraw/zinc/36/63/15/309366315.db2.gz QBMTWMIYAICHJW-LAUBAEHRSA-N 2 0 325.500 3.186 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422787284 309368345 /nfs/dbraw/zinc/36/83/45/309368345.db2.gz UNBONDRTCOUGGQ-CORIIIEPSA-N 2 0 347.286 3.104 20 0 EGADRP Fc1cccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422792290 309368394 /nfs/dbraw/zinc/36/83/94/309368394.db2.gz WCUKXVLTMYSJJK-ICSRJNTNSA-N 2 0 326.415 3.214 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422800663 309369252 /nfs/dbraw/zinc/36/92/52/309369252.db2.gz CPGYJOPXRZRYAL-GHTZIAJQSA-N 3 0 329.532 3.396 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000422816110 309369950 /nfs/dbraw/zinc/36/99/50/309369950.db2.gz ZBYXAAQPTNTGCK-PCCBWWKXSA-N 2 0 338.499 3.332 20 0 EGADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000422816109 309370045 /nfs/dbraw/zinc/37/00/45/309370045.db2.gz ZBYXAAQPTNTGCK-NJDAHSKKSA-N 2 0 338.499 3.332 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCOC1CCCC1 ZINC000422832714 309370996 /nfs/dbraw/zinc/37/09/96/309370996.db2.gz VKGKOYBDYNTBGM-AZUAARDMSA-N 2 0 330.472 3.181 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)cc2c(OC)c1 ZINC000422848939 309372021 /nfs/dbraw/zinc/37/20/21/309372021.db2.gz BJEHPRHAYIBDNH-RDTXWAMCSA-N 2 0 345.487 3.238 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)n1 ZINC000422867014 309372791 /nfs/dbraw/zinc/37/27/91/309372791.db2.gz RNQUWJRHZAKEMY-WOJBJXKFSA-N 2 0 326.488 3.281 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCC[NH2+]1 ZINC000422874776 309373305 /nfs/dbraw/zinc/37/33/05/309373305.db2.gz BCOQCUJGJJOKDB-HNAYVOBHSA-N 3 0 335.923 3.282 20 0 EGADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422875469 309373337 /nfs/dbraw/zinc/37/33/37/309373337.db2.gz CRLXOYMTSLCLGX-GBESFXJTSA-N 2 0 328.504 3.082 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000422878230 309373384 /nfs/dbraw/zinc/37/33/84/309373384.db2.gz JRCWVJIPVYQWHQ-SWLSCSKDSA-N 2 0 325.294 3.444 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1OC(F)F ZINC000422876440 309373495 /nfs/dbraw/zinc/37/34/95/309373495.db2.gz FUKOUACKTWSCBQ-KGLIPLIRSA-N 2 0 328.403 3.089 20 0 EGADRP CCC[C@H]([NH2+][C@H](C)CCC[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422883038 309373857 /nfs/dbraw/zinc/37/38/57/309373857.db2.gz UCVLKZVSQCYKSW-APWZRJJASA-N 2 0 346.519 3.111 20 0 EGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422886353 309374245 /nfs/dbraw/zinc/37/42/45/309374245.db2.gz WLKSAKPOAAJOSJ-GUDVDZBRSA-N 2 0 329.488 3.436 20 0 EGADRP COCCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422890164 309374382 /nfs/dbraw/zinc/37/43/82/309374382.db2.gz RKQYYKAFAXXDDO-WIYYLYMNSA-N 2 0 344.499 3.429 20 0 EGADRP CC[NH+](CC)CCOc1ccc(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422893033 309374609 /nfs/dbraw/zinc/37/46/09/309374609.db2.gz OGOQAJDDOGXZRR-PXNSSMCTSA-N 2 0 333.520 3.027 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422902104 309375162 /nfs/dbraw/zinc/37/51/62/309375162.db2.gz CXOMKBQUDWOTQP-UKRRQHHQSA-N 2 0 325.884 3.034 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422901649 309375165 /nfs/dbraw/zinc/37/51/65/309375165.db2.gz LJRPDDGAYUYMBY-BHIYHBOVSA-N 2 0 342.462 3.330 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422908460 309375646 /nfs/dbraw/zinc/37/56/46/309375646.db2.gz MPPXXXCCGHFVRW-RBUKOAKNSA-N 3 0 331.548 3.437 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422909447 309375801 /nfs/dbraw/zinc/37/58/01/309375801.db2.gz OAZUHBHXFYASIS-ZENOOKHLSA-N 2 0 327.875 3.159 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(OC2CCCC2)n1 ZINC000422968408 309378843 /nfs/dbraw/zinc/37/88/43/309378843.db2.gz WTNHXNNJCQYBNP-CEXWTWQISA-N 2 0 329.488 3.413 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422969954 309378868 /nfs/dbraw/zinc/37/88/68/309378868.db2.gz VKLUMQINAFSLIG-NZSAHSFTSA-N 2 0 344.499 3.234 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000422997908 309380095 /nfs/dbraw/zinc/38/00/95/309380095.db2.gz PDSGYPSKKGSMQM-UWVAXJGDSA-N 2 0 334.504 3.419 20 0 EGADRP COCCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423004371 309380440 /nfs/dbraw/zinc/38/04/40/309380440.db2.gz OUIHFJLVLOGCSX-SLFFLAALSA-N 2 0 332.488 3.112 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCCCC[C@@H]3[NH3+])c2)CC1 ZINC000423021806 309381300 /nfs/dbraw/zinc/38/13/00/309381300.db2.gz CXYMPNNFUZOMAH-PMACEKPBSA-N 2 0 330.520 3.289 20 0 EGADRP CCCCCn1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)n1 ZINC000423024200 309381533 /nfs/dbraw/zinc/38/15/33/309381533.db2.gz LGBBLGBTGGYAQC-OAHLLOKOSA-N 2 0 329.492 3.395 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423026296 309381589 /nfs/dbraw/zinc/38/15/89/309381589.db2.gz QANFLZPSWRNQRA-JLZZUVOBSA-N 2 0 325.859 3.307 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000423026177 309381638 /nfs/dbraw/zinc/38/16/38/309381638.db2.gz AVMNTOJBHKRFJJ-LBPRGKRZSA-N 2 0 342.314 3.155 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423029043 309381822 /nfs/dbraw/zinc/38/18/22/309381822.db2.gz HMHLZEBGGVGIEY-CWJKEVGVSA-N 3 0 329.532 3.394 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000423033575 309382146 /nfs/dbraw/zinc/38/21/46/309382146.db2.gz XDGYSJTYAQDBJZ-YLJYHZDGSA-N 2 0 330.520 3.160 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423034724 309382152 /nfs/dbraw/zinc/38/21/52/309382152.db2.gz QKNJWZQQVYYIHX-CIWUYKSXSA-N 2 0 330.472 3.037 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423047490 309383016 /nfs/dbraw/zinc/38/30/16/309383016.db2.gz HESLUCRRUNZTCX-HUBLWGQQSA-N 2 0 328.859 3.099 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423052148 309383184 /nfs/dbraw/zinc/38/31/84/309383184.db2.gz PVQNJODIZGXODF-CWFSZBLJSA-N 2 0 342.483 3.469 20 0 EGADRP C[C@@H]([NH2+][C@@H](Cc1cccc(Br)c1)CC1CC1)C1C[NH2+]C1 ZINC000423053209 309383186 /nfs/dbraw/zinc/38/31/86/309383186.db2.gz RNPPRCZTRYFZJZ-SJKOYZFVSA-N 2 0 337.305 3.358 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423053515 309383206 /nfs/dbraw/zinc/38/32/06/309383206.db2.gz SRDQSKIOBNIRGP-NUEKZKHPSA-N 2 0 329.410 3.025 20 0 EGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423058371 309383632 /nfs/dbraw/zinc/38/36/32/309383632.db2.gz BYKMOMMNKRDWKZ-WCXIOVBPSA-N 2 0 342.405 3.079 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423065524 309384082 /nfs/dbraw/zinc/38/40/82/309384082.db2.gz BNDCCYLNBFXBAX-NJZAAPMLSA-N 2 0 328.287 3.289 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068096 309384133 /nfs/dbraw/zinc/38/41/33/309384133.db2.gz AWLYRECAKZNMBV-KBPBESRZSA-N 2 0 331.382 3.119 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423065523 309384200 /nfs/dbraw/zinc/38/42/00/309384200.db2.gz BNDCCYLNBFXBAX-LNSITVRQSA-N 2 0 328.287 3.289 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC(c2ccccc2)C1 ZINC000423079427 309384800 /nfs/dbraw/zinc/38/48/00/309384800.db2.gz AARHAZQDPRQZNJ-QHEDFCPTSA-N 2 0 328.500 3.053 20 0 EGADRP CC[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423094082 309385495 /nfs/dbraw/zinc/38/54/95/309385495.db2.gz JHVHJDGLTFYLAG-HOTGVXAUSA-N 2 0 330.394 3.290 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000423097890 309386017 /nfs/dbraw/zinc/38/60/17/309386017.db2.gz BQZANNOHJLLAOK-ABAIWWIYSA-N 2 0 326.282 3.402 20 0 EGADRP CC(C)Oc1ccc([C@@H](C[NH2+]C2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000423131366 309387447 /nfs/dbraw/zinc/38/74/47/309387447.db2.gz SQVPJWGTQUJRJJ-OUNSHVDWSA-N 2 0 333.520 3.184 20 0 EGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423129410 309387463 /nfs/dbraw/zinc/38/74/63/309387463.db2.gz LWHZXIXLWOYQMQ-PBWTXFEYSA-N 2 0 331.479 3.305 20 0 EGADRP FC(F)(F)C1CC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423136396 309387737 /nfs/dbraw/zinc/38/77/37/309387737.db2.gz YWVNKAQWXCXQFI-QNLLCVSISA-N 2 0 326.362 3.173 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423138664 309387963 /nfs/dbraw/zinc/38/79/63/309387963.db2.gz JSJKPUNKCIJZGH-PSBWJHGTSA-N 2 0 331.479 3.162 20 0 EGADRP CC[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144362 309388137 /nfs/dbraw/zinc/38/81/37/309388137.db2.gz YRWXSXBGWPIFPE-HKBOAZHASA-N 2 0 329.532 3.409 20 0 EGADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423153313 309388523 /nfs/dbraw/zinc/38/85/23/309388523.db2.gz NCLOURSLKOISNE-LMQGHGSNSA-N 2 0 344.499 3.283 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000423401230 309398804 /nfs/dbraw/zinc/39/88/04/309398804.db2.gz XASPHSGQJWVDEL-NTZNESFSSA-N 2 0 327.266 3.249 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423175688 309389178 /nfs/dbraw/zinc/38/91/78/309389178.db2.gz ASEQSLPDOSTSQF-QGZVFWFLSA-N 2 0 343.437 3.287 20 0 EGADRP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423177022 309389218 /nfs/dbraw/zinc/38/92/18/309389218.db2.gz DLJQVINJWCUTOS-AWEZNQCLSA-N 2 0 329.669 3.431 20 0 EGADRP CCC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423199924 309390023 /nfs/dbraw/zinc/39/00/23/309390023.db2.gz CWZLSJSMAPGLNU-INIZCTEOSA-N 2 0 329.410 3.041 20 0 EGADRP C[NH2+]CCC[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423200523 309390315 /nfs/dbraw/zinc/39/03/15/309390315.db2.gz MHSTVNXNRUOYEQ-QMTHXVAHSA-N 2 0 329.307 3.431 20 0 EGADRP Brc1ccccc1C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423250853 309392283 /nfs/dbraw/zinc/39/22/83/309392283.db2.gz RBPQJPVLSDPVCN-SUMWQHHRSA-N 2 0 337.305 3.359 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000423251174 309392297 /nfs/dbraw/zinc/39/22/97/309392297.db2.gz RMPWELPUKNUTGF-VXGBXAGGSA-N 2 0 327.266 3.108 20 0 EGADRP COC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423260288 309392824 /nfs/dbraw/zinc/39/28/24/309392824.db2.gz PWCCVVZVYGJFPQ-CZUORRHYSA-N 2 0 330.394 3.372 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cnn1-c1ccc(F)cc1 ZINC000423265008 309392903 /nfs/dbraw/zinc/39/29/03/309392903.db2.gz AOOWUIGYQBOSHI-RFUYNDQBSA-N 2 0 330.451 3.488 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423269349 309393346 /nfs/dbraw/zinc/39/33/46/309393346.db2.gz FNCOTJAGROITTF-JOQOYGCGSA-N 2 0 330.476 3.139 20 0 EGADRP COCCC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000423289366 309394063 /nfs/dbraw/zinc/39/40/63/309394063.db2.gz XAEIGBHXCPEJNB-AWEZNQCLSA-N 2 0 329.282 3.244 20 0 EGADRP CCC([NH3+])(CC)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423286321 309394087 /nfs/dbraw/zinc/39/40/87/309394087.db2.gz GNXOYXRECPGMBK-VAMGGRTRSA-N 2 0 329.532 3.394 20 0 EGADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000423300529 309394409 /nfs/dbraw/zinc/39/44/09/309394409.db2.gz FEWXVZOIVVNJPW-CTWRKMMKSA-N 2 0 340.511 3.426 20 0 EGADRP C[C@H](C[NH3+])C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423307081 309394637 /nfs/dbraw/zinc/39/46/37/309394637.db2.gz MJFAQFZTXZIJHT-RULNRJAQSA-N 2 0 329.307 3.416 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000423307479 309394685 /nfs/dbraw/zinc/39/46/85/309394685.db2.gz NGVIZUWOJOCPRU-JXFKEZNVSA-N 2 0 337.467 3.273 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H](C)[NH3+] ZINC000423316619 309395053 /nfs/dbraw/zinc/39/50/53/309395053.db2.gz AFNKYXBUQFPLLH-YLJYHZDGSA-N 2 0 345.531 3.154 20 0 EGADRP CC1(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000423325240 309395132 /nfs/dbraw/zinc/39/51/32/309395132.db2.gz JGXGZBFOUUHEGQ-MSOLQXFVSA-N 2 0 336.907 3.409 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000423327094 309395367 /nfs/dbraw/zinc/39/53/67/309395367.db2.gz CVEGDRAFZOFHQX-GOSISDBHSA-N 2 0 325.456 3.413 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000423335134 309395698 /nfs/dbraw/zinc/39/56/98/309395698.db2.gz PNWFSAGYLGUJMP-FUHIMQAGSA-N 2 0 345.531 3.154 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000423339064 309396001 /nfs/dbraw/zinc/39/60/01/309396001.db2.gz RXTHDCKBMDLINY-HXUWFJFHSA-N 2 0 343.515 3.196 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H](C)[NH3+] ZINC000423342651 309396149 /nfs/dbraw/zinc/39/61/49/309396149.db2.gz VDZLEJWRBJEPIQ-UWVAXJGDSA-N 2 0 345.531 3.297 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423351066 309396641 /nfs/dbraw/zinc/39/66/41/309396641.db2.gz HKAHRHBTSIJWEK-FDFHNCONSA-N 3 0 339.527 3.187 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@H](C)[NH3+] ZINC000423373587 309397643 /nfs/dbraw/zinc/39/76/43/309397643.db2.gz HSHVSFDTTYCOTR-PXNSSMCTSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(I)cc1 ZINC000423382893 309397920 /nfs/dbraw/zinc/39/79/20/309397920.db2.gz JZTVNIXHIPGBJB-LEWSCRJBSA-N 2 0 344.240 3.212 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423416705 309399503 /nfs/dbraw/zinc/39/95/03/309399503.db2.gz DETODHZSQHOLAH-XCJLJZCSSA-N 3 0 329.532 3.252 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423417832 309399561 /nfs/dbraw/zinc/39/95/61/309399561.db2.gz TVOARNUDWCGDJE-OALUTQOASA-N 2 0 343.515 3.093 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccccc1I ZINC000423446782 309400751 /nfs/dbraw/zinc/40/07/51/309400751.db2.gz ZBVXWZQMCAAALL-VXGBXAGGSA-N 2 0 346.256 3.459 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423467932 309401317 /nfs/dbraw/zinc/40/13/17/309401317.db2.gz UQEVTYZZCHNSOA-BJJXKVORSA-N 2 0 347.894 3.397 20 0 EGADRP Cn1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccc(Cl)cc2)n1 ZINC000423543075 309405798 /nfs/dbraw/zinc/40/57/98/309405798.db2.gz MTXVUZZPKGNDDJ-BUIAKZPTSA-N 2 0 344.890 3.141 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423837879 309415714 /nfs/dbraw/zinc/41/57/14/309415714.db2.gz GWGMTVLVRVJVAE-GOSISDBHSA-N 2 0 329.488 3.042 20 0 EGADRP CCCC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000424017813 309425586 /nfs/dbraw/zinc/42/55/86/309425586.db2.gz HOFSBNUSEAGTEQ-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP [NH3+][C@H](CCC(=O)NCC1CC[NH+](C2CC2)CC1)CC1CCCCC1 ZINC000424183985 309432185 /nfs/dbraw/zinc/43/21/85/309432185.db2.gz DEJDVGLRELFWCA-GOSISDBHSA-N 2 0 335.536 3.055 20 0 EGADRP Cc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000424432469 309443538 /nfs/dbraw/zinc/44/35/38/309443538.db2.gz HNUZNBDEZXFPEO-IBGZPJMESA-N 2 0 340.471 3.187 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000425407246 309478408 /nfs/dbraw/zinc/47/84/08/309478408.db2.gz ORCZOYKUGCQTNK-HXUWFJFHSA-N 2 0 346.515 3.387 20 0 EGADRP COC(=O)[C@H](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000425405673 309478414 /nfs/dbraw/zinc/47/84/14/309478414.db2.gz LSWAKLNECOSOQG-HXUWFJFHSA-N 2 0 344.499 3.141 20 0 EGADRP CC[C@H](c1ccccc1)N(CC)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128854 309679506 /nfs/dbraw/zinc/67/95/06/309679506.db2.gz BQAKHRIEGMETPI-LJQANCHMSA-N 2 0 331.504 3.190 20 0 EGADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443603961 309904361 /nfs/dbraw/zinc/90/43/61/309904361.db2.gz NGFXOMYJNMWNEL-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443606945 309904497 /nfs/dbraw/zinc/90/44/97/309904497.db2.gz YZZKXWSKJGXRBN-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000443859884 309908721 /nfs/dbraw/zinc/90/87/21/309908721.db2.gz SSSRTWPIRZLFGP-WOJBJXKFSA-N 2 0 333.564 3.328 20 0 EGADRP CCC(CC)[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[NH+](C)C ZINC000446588485 309964349 /nfs/dbraw/zinc/96/43/49/309964349.db2.gz ZLRXAWBNXNPBSC-IBGZPJMESA-N 2 0 348.535 3.279 20 0 EGADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000449076023 310035059 /nfs/dbraw/zinc/03/50/59/310035059.db2.gz GGXTXCPUVBHRGP-MRXNPFEDSA-N 2 0 341.503 3.128 20 0 EGADRP CCOC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)[nH]c1C ZINC000449082917 310035708 /nfs/dbraw/zinc/03/57/08/310035708.db2.gz QUQWSJVDPGRCGZ-HNNXBMFYSA-N 2 0 335.492 3.102 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000449137360 310039632 /nfs/dbraw/zinc/03/96/32/310039632.db2.gz XTXYIODVEDNXED-KPFFTGBYSA-N 2 0 349.950 3.277 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000449139275 310039761 /nfs/dbraw/zinc/03/97/61/310039761.db2.gz AIQLYRMTTIQOOR-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000449163223 310041419 /nfs/dbraw/zinc/04/14/19/310041419.db2.gz VMAXABKTRXTTGX-HUUCEWRRSA-N 2 0 338.442 3.159 20 0 EGADRP Cc1cccc(CC[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000449233848 310046512 /nfs/dbraw/zinc/04/65/12/310046512.db2.gz NLUAUOZGBGMGKA-JOCHJYFZSA-N 2 0 338.495 3.284 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332095 310054183 /nfs/dbraw/zinc/05/41/83/310054183.db2.gz QALQSUQITUONJE-ZWKOTPCHSA-N 2 0 330.472 3.154 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449579800 310073587 /nfs/dbraw/zinc/07/35/87/310073587.db2.gz JVGPCMZPRMOJOX-XUVXKRRUSA-N 2 0 328.500 3.039 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000449747879 310084071 /nfs/dbraw/zinc/08/40/71/310084071.db2.gz YPSHVDKWQXDOFX-UHFFFAOYSA-N 2 0 333.451 3.078 20 0 EGADRP C[C@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450638218 310134233 /nfs/dbraw/zinc/13/42/33/310134233.db2.gz BLOMKOQHCHSJCH-SFXFZMGTSA-N 2 0 345.575 3.161 20 0 EGADRP C[C@H]1C[N@H+](CC/C=C\c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000450651820 310135277 /nfs/dbraw/zinc/13/52/77/310135277.db2.gz LZCWYOQVJDWWLU-SMTIMMHKSA-N 2 0 327.516 3.190 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000451133000 310162140 /nfs/dbraw/zinc/16/21/40/310162140.db2.gz YDWRVSIGPHBXCW-YIOZNXECSA-N 2 0 349.494 3.184 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccnc2c(Br)cccc12)C[NH+](C)C ZINC000451172991 310163901 /nfs/dbraw/zinc/16/39/01/310163901.db2.gz QQHKDJANXUFBMK-LBPRGKRZSA-N 2 0 336.277 3.285 20 0 EGADRP C(=C/C[N@@H+]1CCSC[C@@H]1C1CC1)\C[NH+]1CCSC[C@@H]1C1CC1 ZINC000451646438 310190931 /nfs/dbraw/zinc/19/09/31/310190931.db2.gz FLPIVRVIZYQCGN-ZHEVZCJESA-N 2 0 338.586 3.197 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCSC2CCCCC2)CC1 ZINC000451991854 310206802 /nfs/dbraw/zinc/20/68/02/310206802.db2.gz SYCHBFVNWDHCLH-UHFFFAOYSA-N 2 0 327.582 3.058 20 0 EGADRP c1cnn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453062394 310255255 /nfs/dbraw/zinc/25/52/55/310255255.db2.gz DOYXNERHHNCYNY-ACRUOGEOSA-N 2 0 338.499 3.306 20 0 EGADRP C[C@H](CCCc1cccnc1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000453083734 310256798 /nfs/dbraw/zinc/25/67/98/310256798.db2.gz NFOAFXAZTMSJSO-GUDVDZBRSA-N 2 0 333.520 3.272 20 0 EGADRP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453326982 310271211 /nfs/dbraw/zinc/27/12/11/310271211.db2.gz AUQFONXWJVLDRL-RPCJCACASA-N 2 0 340.515 3.384 20 0 EGADRP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2[nH]c(=O)oc2c1 ZINC000453350825 310272515 /nfs/dbraw/zinc/27/25/15/310272515.db2.gz MDWZDWNNJDVTBC-MUSFGAPCSA-N 2 0 329.444 3.445 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453428340 310276692 /nfs/dbraw/zinc/27/66/92/310276692.db2.gz PUEHKZGAURGOPB-DLBZAZTESA-N 2 0 334.504 3.483 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455860236 310379845 /nfs/dbraw/zinc/37/98/45/310379845.db2.gz JLYKHFGHVPVOCD-LJQANCHMSA-N 2 0 344.503 3.230 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@H]([NH+](C)C)CC3)ccc21 ZINC000455873414 310380488 /nfs/dbraw/zinc/38/04/88/310380488.db2.gz ZTFJMWUXBOMFPV-IEBWSBKVSA-N 2 0 344.503 3.184 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455945569 310383174 /nfs/dbraw/zinc/38/31/74/310383174.db2.gz WJVSGXUDVWYOGM-HKUYNNGSSA-N 2 0 344.503 3.184 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000459565305 310561202 /nfs/dbraw/zinc/56/12/02/310561202.db2.gz GREKJNKYGAHOTE-UHFFFAOYSA-N 2 0 344.503 3.006 20 0 EGADRP CCc1cccc(Cl)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000475559665 310813926 /nfs/dbraw/zinc/81/39/26/310813926.db2.gz LLMXVHBIXQILJW-UHFFFAOYSA-N 2 0 336.907 3.447 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496700690 311752062 /nfs/dbraw/zinc/75/20/62/311752062.db2.gz LFZWTFDKRUAPNQ-PKOBYXMFSA-N 2 0 347.503 3.061 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496765413 311761655 /nfs/dbraw/zinc/76/16/55/311761655.db2.gz XADAWKRGTQFPDW-FXQLRMTLSA-N 2 0 327.513 3.141 20 0 EGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496786842 311764787 /nfs/dbraw/zinc/76/47/87/311764787.db2.gz RNAVLVKIBHXRTG-HOCLYGCPSA-N 2 0 341.540 3.198 20 0 EGADRP CCc1cc(OC)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000503920797 311996402 /nfs/dbraw/zinc/99/64/02/311996402.db2.gz OWQVKDKORILTNN-UHFFFAOYSA-N 2 0 346.515 3.192 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510546658 312142895 /nfs/dbraw/zinc/14/28/95/312142895.db2.gz JDNDCZJTBDZYOB-NZSAHSFTSA-N 2 0 333.520 3.269 20 0 EGADRP CC(C)CCn1cccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512432613 312185383 /nfs/dbraw/zinc/18/53/83/312185383.db2.gz GZEKRSMBSXRDOC-UHFFFAOYSA-N 2 0 347.547 3.469 20 0 EGADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190374 /nfs/dbraw/zinc/19/03/74/312190374.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 2 0 329.532 3.217 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191770 /nfs/dbraw/zinc/19/17/70/312191770.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 2 0 341.543 3.361 20 0 EGADRP Cc1cccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1C ZINC000512672731 312192364 /nfs/dbraw/zinc/19/23/64/312192364.db2.gz KHADSFWEIHCSBH-OALUTQOASA-N 2 0 329.532 3.294 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000514782117 312245085 /nfs/dbraw/zinc/24/50/85/312245085.db2.gz YKFYSQDPPYMEPR-WMZOPIPTSA-N 2 0 325.456 3.138 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000515344199 312277911 /nfs/dbraw/zinc/27/79/11/312277911.db2.gz BELHOFZYHBVSSA-GJZGRUSLSA-N 2 0 344.421 3.367 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000517133753 312364808 /nfs/dbraw/zinc/36/48/08/312364808.db2.gz HEEZQANHKRDEQB-RTBURBONSA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+](CC)CCC[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000517755066 312392766 /nfs/dbraw/zinc/39/27/66/312392766.db2.gz MHOROGDGIJMKRT-WGSAOQKQSA-N 2 0 334.504 3.230 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527674065 312906826 /nfs/dbraw/zinc/90/68/26/312906826.db2.gz GPBYSUDKWLACLG-UHFFFAOYSA-N 2 0 336.423 3.092 20 0 EGADRP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000527868475 312961758 /nfs/dbraw/zinc/96/17/58/312961758.db2.gz UQKQVRWDDIAGGY-PMACEKPBSA-N 2 0 330.516 3.488 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528355907 313072598 /nfs/dbraw/zinc/07/25/98/313072598.db2.gz QEYSKACQYFSCDI-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000528392449 313082006 /nfs/dbraw/zinc/08/20/06/313082006.db2.gz CZIBTKVNMMGDIX-AZUAARDMSA-N 2 0 334.479 3.047 20 0 EGADRP COCCC1CC[NH+](C/C=C\C[NH+]2CCC(CCOC)CC2)CC1 ZINC000528578535 313123003 /nfs/dbraw/zinc/12/30/03/313123003.db2.gz ZESNGOLEUPIGSB-ARJAWSKDSA-N 2 0 338.536 3.040 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000535684714 314060243 /nfs/dbraw/zinc/06/02/43/314060243.db2.gz BJZYPBWEXZQTCL-LJQANCHMSA-N 2 0 335.923 3.333 20 0 EGADRP Cc1ccc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)o1 ZINC000536129516 314095133 /nfs/dbraw/zinc/09/51/33/314095133.db2.gz LUCSZNQFFQVDMM-UHFFFAOYSA-N 2 0 347.890 3.326 20 0 EGADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2)C[C@@H](C)O1 ZINC000538589295 314256433 /nfs/dbraw/zinc/25/64/33/314256433.db2.gz IUUUKNPZRBSEPL-JDNULILRSA-N 2 0 345.531 3.436 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539086245 314295588 /nfs/dbraw/zinc/29/55/88/314295588.db2.gz DOAQSCWDLQECTL-UZLBHIALSA-N 2 0 334.504 3.219 20 0 EGADRP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000550380007 315126592 /nfs/dbraw/zinc/12/65/92/315126592.db2.gz MBXFGOQUNGALRR-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000550835857 315135853 /nfs/dbraw/zinc/13/58/53/315135853.db2.gz MIOYHMJEHBVHOJ-JENIJYKNSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000551223751 315145711 /nfs/dbraw/zinc/14/57/11/315145711.db2.gz WPXJGWWOQAABNG-NLWGTHIKSA-N 2 0 345.531 3.182 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000552920609 315237802 /nfs/dbraw/zinc/23/78/02/315237802.db2.gz CGCGBVOHPYMRHO-LJQANCHMSA-N 2 0 347.522 3.154 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000555232923 315374460 /nfs/dbraw/zinc/37/44/60/315374460.db2.gz PUQVHSGVFNXXBT-OBKDMQGPSA-N 2 0 340.552 3.307 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612254 315394481 /nfs/dbraw/zinc/39/44/81/315394481.db2.gz WFCKTFCDESQZRU-PZJWPPBQSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000558080891 315549384 /nfs/dbraw/zinc/54/93/84/315549384.db2.gz DGUZEPIQIZDSBP-KRWDZBQOSA-N 2 0 331.504 3.060 20 0 EGADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563975904 316099101 /nfs/dbraw/zinc/09/91/01/316099101.db2.gz JZVSYHJCZDDGOO-FSZRXZPDSA-N 2 0 339.886 3.331 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c(C)c1 ZINC000564454065 316154819 /nfs/dbraw/zinc/15/48/19/316154819.db2.gz SYOJJOJIIWKYQH-INIZCTEOSA-N 2 0 325.456 3.269 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000565226331 316294664 /nfs/dbraw/zinc/29/46/64/316294664.db2.gz JUSMUVQJZIULAD-MNOVXSKESA-N 2 0 336.789 3.025 20 0 EGADRP [NH3+][C@H](CCC(=O)Nc1cccc2c1CC[NH2+]C2)CC1CCCCC1 ZINC000565299747 316306059 /nfs/dbraw/zinc/30/60/59/316306059.db2.gz ZSPSOWINQWMXAP-QGZVFWFLSA-N 2 0 329.488 3.349 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000565541971 316337483 /nfs/dbraw/zinc/33/74/83/316337483.db2.gz BFGSXRGZSPOETC-HXUWFJFHSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567982758 316704735 /nfs/dbraw/zinc/70/47/35/316704735.db2.gz OFKPNBQGLUMUGY-GOSISDBHSA-N 2 0 325.456 3.475 20 0 EGADRP Cc1cc(C)c([C@@H](C)[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c(C)c1 ZINC000569105952 316866507 /nfs/dbraw/zinc/86/65/07/316866507.db2.gz DEMYFQCAXMFPNG-GOSISDBHSA-N 2 0 330.516 3.499 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000569744234 316958210 /nfs/dbraw/zinc/95/82/10/316958210.db2.gz LMQQCMXNZFWJAB-KWCYVHTRSA-N 2 0 327.266 3.076 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000570093432 317006359 /nfs/dbraw/zinc/00/63/59/317006359.db2.gz MPOXOEYZCOEOEP-UHFFFAOYSA-N 2 0 332.831 3.250 20 0 EGADRP CN(CCC[N@H+](C)Cc1cccc(-c2cccnc2)c1)CC[NH+](C)C ZINC000570551406 317072773 /nfs/dbraw/zinc/07/27/73/317072773.db2.gz AWBHFPQOCUUFJM-UHFFFAOYSA-N 2 0 340.515 3.064 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000570606625 317080514 /nfs/dbraw/zinc/08/05/14/317080514.db2.gz XQLBFMATAFUQJB-ZWKOTPCHSA-N 2 0 331.504 3.340 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000571203430 317165711 /nfs/dbraw/zinc/16/57/11/317165711.db2.gz FACQOAHVVSNSTO-TXPKVOOTSA-N 2 0 331.504 3.009 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000572112560 317292725 /nfs/dbraw/zinc/29/27/25/317292725.db2.gz PCZBOZAKTHBKRK-JOCHJYFZSA-N 2 0 340.511 3.455 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000572178799 317301818 /nfs/dbraw/zinc/30/18/18/317301818.db2.gz CCDDMXKTKZFOCA-IBGZPJMESA-N 2 0 332.488 3.161 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000572354933 317325874 /nfs/dbraw/zinc/32/58/74/317325874.db2.gz UTJPMWXRHKEOKX-DTWKUNHWSA-N 2 0 337.208 3.266 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000572516457 317350362 /nfs/dbraw/zinc/35/03/62/317350362.db2.gz WJNSYWRDDXUHGC-QGZVFWFLSA-N 2 0 331.504 3.067 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000572733292 317384919 /nfs/dbraw/zinc/38/49/19/317384919.db2.gz OOHOBUVNYKCPAB-IEBWSBKVSA-N 2 0 332.419 3.290 20 0 EGADRP Cc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000182052007 323523027 /nfs/dbraw/zinc/52/30/27/323523027.db2.gz FZKLTABYCGQPAW-UHFFFAOYSA-N 2 0 328.456 3.395 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4COc5ccccc5C4)[C@@H]3C2)cc1 ZINC000380816689 324244535 /nfs/dbraw/zinc/24/45/35/324244535.db2.gz DPUFIQWIVIPHCU-CBPXPLCBSA-N 2 0 348.490 3.490 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000387388473 324271054 /nfs/dbraw/zinc/27/10/54/324271054.db2.gz ZRMZRZGXBMNKDU-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP CSC1(C[NH2+]Cc2cccc(OC(F)F)c2)CC[NH+](C)CC1 ZINC000353205858 456559552 /nfs/dbraw/zinc/55/95/52/456559552.db2.gz FOOPCBSEBLYPCQ-UHFFFAOYSA-N 2 0 330.444 3.205 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000575161588 324429338 /nfs/dbraw/zinc/42/93/38/324429338.db2.gz HVOHKUHGNWVFPK-QUCCMNQESA-N 2 0 341.455 3.060 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH2+]C1CC1 ZINC000579087291 325060531 /nfs/dbraw/zinc/06/05/31/325060531.db2.gz LYJPUIBOFHLFHD-GFCCVEGCSA-N 2 0 343.393 3.154 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000579129371 325067829 /nfs/dbraw/zinc/06/78/29/325067829.db2.gz WHCRCCNKRWHKCM-OALUTQOASA-N 3 0 327.472 3.271 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000579986892 325186747 /nfs/dbraw/zinc/18/67/47/325186747.db2.gz HLJGIWKHEWXJPS-KRWDZBQOSA-N 2 0 345.531 3.031 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cccc(F)c2)c1 ZINC000581006597 325320336 /nfs/dbraw/zinc/32/03/36/325320336.db2.gz HFIRHBYCKRWSPQ-UHFFFAOYSA-N 2 0 329.419 3.006 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000581070072 325326576 /nfs/dbraw/zinc/32/65/76/325326576.db2.gz YFLCFRVVFCAPAW-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000581424355 325360000 /nfs/dbraw/zinc/36/00/00/325360000.db2.gz LFYRWKOBFYYMPY-UHFFFAOYSA-N 2 0 340.471 3.040 20 0 EGADRP CCc1ncc(CN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)o1 ZINC000581926151 325399256 /nfs/dbraw/zinc/39/92/56/325399256.db2.gz NDOAWAZFIWGOSL-QGZVFWFLSA-N 2 0 341.455 3.315 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000157693932 455221955 /nfs/dbraw/zinc/22/19/55/455221955.db2.gz OUPSYYJAEHIJKC-INIZCTEOSA-N 2 0 332.517 3.225 20 0 EGADRP [NH3+][C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000237858658 455225758 /nfs/dbraw/zinc/22/57/58/455225758.db2.gz WRRMSBIDOCSJSH-SJORKVTESA-N 2 0 343.496 3.091 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCn1ccnc1 ZINC000189954138 455259222 /nfs/dbraw/zinc/25/92/22/455259222.db2.gz URISGUPAKDVOJI-ROUUACIJSA-N 3 0 326.488 3.019 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183705591 455323674 /nfs/dbraw/zinc/32/36/74/455323674.db2.gz GTTONBBRYXVHAQ-UYSNPLJNSA-N 2 0 336.442 3.182 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000081362667 453865611 /nfs/dbraw/zinc/86/56/11/453865611.db2.gz XYBUPNMNYQTABR-IBGZPJMESA-N 2 0 343.515 3.086 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075502613 453898156 /nfs/dbraw/zinc/89/81/56/453898156.db2.gz PEGJOVRBVXCVTJ-SFHVURJKSA-N 2 0 344.503 3.088 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000067507168 453936595 /nfs/dbraw/zinc/93/65/95/453936595.db2.gz ACHRZTNHMKKMFS-HNNXBMFYSA-N 2 0 330.394 3.448 20 0 EGADRP Cc1ncsc1CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109714 453965217 /nfs/dbraw/zinc/96/52/17/453965217.db2.gz OHMXLEIVRKBNDR-SFHVURJKSA-N 2 0 329.513 3.448 20 0 EGADRP C[N@H+](CCC(=O)OC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109710 453965578 /nfs/dbraw/zinc/96/55/78/453965578.db2.gz XCDHUOPSJHDCGW-SFHVURJKSA-N 2 0 332.488 3.172 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1C ZINC000076329371 453989399 /nfs/dbraw/zinc/98/93/99/453989399.db2.gz XUZPULZYZBMQTL-SFHVURJKSA-N 2 0 346.519 3.183 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)o1 ZINC000042721143 454022214 /nfs/dbraw/zinc/02/22/14/454022214.db2.gz SOZFROQYJJTUCX-UHFFFAOYSA-N 2 0 329.444 3.435 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000056522851 454064215 /nfs/dbraw/zinc/06/42/15/454064215.db2.gz QTHCJIZVFRGMSN-QGZVFWFLSA-N 2 0 331.504 3.294 20 0 EGADRP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523088 454064347 /nfs/dbraw/zinc/06/43/47/454064347.db2.gz ABTJBGRFPOYXBU-QGZVFWFLSA-N 2 0 343.515 3.018 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000044292453 454095618 /nfs/dbraw/zinc/09/56/18/454095618.db2.gz DFFWXMVDQDJPDY-UHFFFAOYSA-N 2 0 332.492 3.134 20 0 EGADRP CCOc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)ccc1O ZINC000069711219 454136269 /nfs/dbraw/zinc/13/62/69/454136269.db2.gz AZBCFWMOGUGKAP-UHFFFAOYSA-N 2 0 344.455 3.021 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000089728250 454184172 /nfs/dbraw/zinc/18/41/72/454184172.db2.gz YLCFDUIHRMTKRM-CZUORRHYSA-N 2 0 348.878 3.252 20 0 EGADRP COc1cc(OC)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1Cl ZINC000095967690 454242347 /nfs/dbraw/zinc/24/23/47/454242347.db2.gz UHGAMXUTXSEKTH-GFCCVEGCSA-N 2 0 326.868 3.350 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc[nH+]1 ZINC000095988025 454252747 /nfs/dbraw/zinc/25/27/47/454252747.db2.gz WBMNZFWPHWZWRA-UFYCRDLUSA-N 2 0 341.499 3.235 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000090450561 454306802 /nfs/dbraw/zinc/30/68/02/454306802.db2.gz BRBCMIHMXRDZET-BXUZGUMPSA-N 2 0 332.275 3.087 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090526173 454317454 /nfs/dbraw/zinc/31/74/54/454317454.db2.gz NDDCKNQXOLCNQU-BEVDRBHNSA-N 2 0 332.488 3.114 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090526175 454317632 /nfs/dbraw/zinc/31/76/32/454317632.db2.gz NDDCKNQXOLCNQU-YSSFQJQWSA-N 2 0 332.488 3.114 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2)CN1CC[NH+](C)CC1 ZINC000121036037 454381346 /nfs/dbraw/zinc/38/13/46/454381346.db2.gz IIXICHWTDAXSTQ-ROUUACIJSA-N 2 0 329.532 3.100 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000121165824 454401001 /nfs/dbraw/zinc/40/10/01/454401001.db2.gz OFKZQCVCWHOJHS-KGLIPLIRSA-N 2 0 329.941 3.326 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(-c2cccs2)n1 ZINC000097095586 454405023 /nfs/dbraw/zinc/40/50/23/454405023.db2.gz VRDLEQRSICEHPM-INIZCTEOSA-N 2 0 330.501 3.113 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091266673 454420746 /nfs/dbraw/zinc/42/07/46/454420746.db2.gz FRKYFDZBUVKYSA-FQEVSTJZSA-N 2 0 333.495 3.284 20 0 EGADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121444795 454436318 /nfs/dbraw/zinc/43/63/18/454436318.db2.gz WOLANWJGZATAQM-IRXDYDNUSA-N 2 0 344.503 3.119 20 0 EGADRP O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000048234529 454459973 /nfs/dbraw/zinc/45/99/73/454459973.db2.gz XNIQFBQURGAVGB-UHFFFAOYSA-N 2 0 341.499 3.029 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000122718602 454562518 /nfs/dbraw/zinc/56/25/18/454562518.db2.gz GWOXLRUKQPLSKU-INIZCTEOSA-N 2 0 345.487 3.416 20 0 EGADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123101786 454602338 /nfs/dbraw/zinc/60/23/38/454602338.db2.gz FJDYRWMWCRPBGM-WMQCIHAUSA-N 2 0 329.532 3.143 20 0 EGADRP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)cn1 ZINC000134903273 454607238 /nfs/dbraw/zinc/60/72/38/454607238.db2.gz PQXPCBIWDXUCBH-NQIIRXRSSA-N 2 0 336.483 3.321 20 0 EGADRP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123181422 454611399 /nfs/dbraw/zinc/61/13/99/454611399.db2.gz OKVSSCADVQUIEK-SFHVURJKSA-N 2 0 345.531 3.260 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000092740005 454622017 /nfs/dbraw/zinc/62/20/17/454622017.db2.gz RGHGQOHRTWORSX-QZTJIDSGSA-N 2 0 345.531 3.138 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092746212 454623699 /nfs/dbraw/zinc/62/36/99/454623699.db2.gz QTDXYJOAUXMQKO-KRWDZBQOSA-N 2 0 345.531 3.138 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000105476966 454640258 /nfs/dbraw/zinc/64/02/58/454640258.db2.gz FDDMOUJQILUSJR-UHFFFAOYSA-N 2 0 337.511 3.471 20 0 EGADRP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123462691 454640534 /nfs/dbraw/zinc/64/05/34/454640534.db2.gz LNJNZBQBWXLBLR-KZNAEPCWSA-N 2 0 337.552 3.218 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)CC2 ZINC000635004362 460648694 /nfs/dbraw/zinc/64/86/94/460648694.db2.gz DTUUMRVXHPQSAN-PKOBYXMFSA-N 2 0 340.467 3.241 20 0 EGADRP CCC[NH+]1CCC(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000161606783 454708187 /nfs/dbraw/zinc/70/81/87/454708187.db2.gz GAXJSXGXXVCMBL-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(C)cc1 ZINC000635009746 460651544 /nfs/dbraw/zinc/65/15/44/460651544.db2.gz ZFENROQNFZCESW-XIRDDKMYSA-N 2 0 327.476 3.052 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc(C)c1F ZINC000124536187 454745429 /nfs/dbraw/zinc/74/54/29/454745429.db2.gz WRABDIBBORTXBU-QGZVFWFLSA-N 2 0 335.511 3.367 20 0 EGADRP CCc1cc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124868838 454777607 /nfs/dbraw/zinc/77/76/07/454777607.db2.gz WHMYHYGEYNBKHM-SFHVURJKSA-N 2 0 338.499 3.013 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000138377001 454791658 /nfs/dbraw/zinc/79/16/58/454791658.db2.gz UXCCCNFHFNPHOG-MRXNPFEDSA-N 2 0 346.906 3.427 20 0 EGADRP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)n1 ZINC000125773892 454845873 /nfs/dbraw/zinc/84/58/73/454845873.db2.gz HXQKBPRHLCGKNA-INIZCTEOSA-N 2 0 336.549 3.130 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)CN1CC[NH+](C)CC1 ZINC000177293985 454846982 /nfs/dbraw/zinc/84/69/82/454846982.db2.gz NVCNCUWXBQXPAI-MSOLQXFVSA-N 2 0 325.500 3.374 20 0 EGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000126011218 454863831 /nfs/dbraw/zinc/86/38/31/454863831.db2.gz NPBVDPSGUWROTM-YJBOKZPZSA-N 2 0 329.492 3.284 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000164079427 454874330 /nfs/dbraw/zinc/87/43/30/454874330.db2.gz MNSSELGJCOKCQR-UFYCRDLUSA-N 2 0 343.515 3.012 20 0 EGADRP CCCC[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000164482380 454883470 /nfs/dbraw/zinc/88/34/70/454883470.db2.gz JEBDHTDTLFRGHW-RXVVDRJESA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000154314628 454883695 /nfs/dbraw/zinc/88/36/95/454883695.db2.gz OXQMNQGRGXVTBB-GOSISDBHSA-N 2 0 329.532 3.244 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000166013838 454906588 /nfs/dbraw/zinc/90/65/88/454906588.db2.gz AKYIJCFAOKPKSG-SJLPKXTDSA-N 2 0 332.488 3.379 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000166042423 454907060 /nfs/dbraw/zinc/90/70/60/454907060.db2.gz LNNQSPKPPCIAJX-ZFWWWQNUSA-N 2 0 328.884 3.356 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000154560419 454907604 /nfs/dbraw/zinc/90/76/04/454907604.db2.gz WGMXMHJLUBXRRL-HUUCEWRRSA-N 2 0 327.513 3.142 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC000126644348 454908302 /nfs/dbraw/zinc/90/83/02/454908302.db2.gz JWNRCQUCKYTCOR-QGZVFWFLSA-N 2 0 341.474 3.424 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150967512 454919317 /nfs/dbraw/zinc/91/93/17/454919317.db2.gz RCWABVJNXKDVRH-INIZCTEOSA-N 2 0 335.561 3.475 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCSC2)CC1 ZINC000127232728 454947551 /nfs/dbraw/zinc/94/75/51/454947551.db2.gz DVCMCPUTWXDDNJ-ZBFHGGJFSA-N 2 0 337.508 3.124 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000127394369 454960883 /nfs/dbraw/zinc/96/08/83/454960883.db2.gz MORRJAWMFLHJTO-PBHICJAKSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000127665051 454986304 /nfs/dbraw/zinc/98/63/04/454986304.db2.gz WDJDABOHTYAILI-RYUDHWBXSA-N 2 0 348.293 3.419 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370197 454992802 /nfs/dbraw/zinc/99/28/02/454992802.db2.gz XOQPTQXJQNWYOJ-XHBSWPGZSA-N 2 0 343.284 3.449 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000127772039 454996359 /nfs/dbraw/zinc/99/63/59/454996359.db2.gz RILUVFBTPTXNQO-UONOGXRCSA-N 2 0 343.487 3.288 20 0 EGADRP C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151845301 455039415 /nfs/dbraw/zinc/03/94/15/455039415.db2.gz KEZPOZQBFQELEC-QZTJIDSGSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000155754892 455040913 /nfs/dbraw/zinc/04/09/13/455040913.db2.gz GZUXGQVERZRVSW-HXUWFJFHSA-N 2 0 345.531 3.235 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC(F)F)cc1 ZINC000151868987 455042153 /nfs/dbraw/zinc/04/21/53/455042153.db2.gz URSKEQHITUETEK-KRWDZBQOSA-N 2 0 342.430 3.033 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042544 /nfs/dbraw/zinc/04/25/44/455042544.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 3 0 329.532 3.491 20 0 EGADRP C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)nc2)CC1 ZINC000128543658 455065807 /nfs/dbraw/zinc/06/58/07/455065807.db2.gz CMTQRTRPEJJADB-ZIAGYGMSSA-N 2 0 342.409 3.366 20 0 EGADRP C[C@H](CC[NH2+]C1CCN(CC(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000156211268 455093279 /nfs/dbraw/zinc/09/32/79/455093279.db2.gz UBTXMUGPHCMIGJ-MRXNPFEDSA-N 2 0 339.474 3.216 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000129574693 455117098 /nfs/dbraw/zinc/11/70/98/455117098.db2.gz RABFBBJDQJGBQL-GOEBONIOSA-N 2 0 347.469 3.256 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156441792 455118855 /nfs/dbraw/zinc/11/88/55/455118855.db2.gz XNWJQYQBKCFOPE-DLBZAZTESA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC000172106774 455122189 /nfs/dbraw/zinc/12/21/89/455122189.db2.gz VFLGXAXRLGCEFA-QGZVFWFLSA-N 2 0 334.508 3.236 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000623656182 460663654 /nfs/dbraw/zinc/66/36/54/460663654.db2.gz OQUJLRHSNPRSNJ-LJQANCHMSA-N 2 0 339.483 3.482 20 0 EGADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000156561466 455132847 /nfs/dbraw/zinc/13/28/47/455132847.db2.gz RBJCYBAXUGKEPG-WMZOPIPTSA-N 2 0 342.487 3.134 20 0 EGADRP CC(C)n1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000180181654 455145597 /nfs/dbraw/zinc/14/55/97/455145597.db2.gz MPAAZYOZXSOQJQ-QZTJIDSGSA-N 2 0 348.535 3.175 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cccc(F)c1 ZINC000157088267 455164232 /nfs/dbraw/zinc/16/42/32/455164232.db2.gz XLOOUEBTGIABRQ-SFHVURJKSA-N 2 0 333.451 3.105 20 0 EGADRP c1cn(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000182863766 455179793 /nfs/dbraw/zinc/17/97/93/455179793.db2.gz QNJJPASSZBUQEM-RTWAWAEBSA-N 2 0 338.499 3.260 20 0 EGADRP CCCCCNC(=O)[C@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245433928 455298264 /nfs/dbraw/zinc/29/82/64/455298264.db2.gz CADRQPMDGBSVMW-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000183494711 455299865 /nfs/dbraw/zinc/29/98/65/455299865.db2.gz JCUWXVXTGWTEJN-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000245472729 455309479 /nfs/dbraw/zinc/30/94/79/455309479.db2.gz ZLKFIQDPUJCJKX-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](CCCc1nc(-c2ccccc2)no1)CC[C@@H]1CCCC[NH+]1C ZINC000173635406 455319930 /nfs/dbraw/zinc/31/99/30/455319930.db2.gz ZWXOKPTUGVUEHQ-SFHVURJKSA-N 2 0 342.487 3.475 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000158704467 455323781 /nfs/dbraw/zinc/32/37/81/455323781.db2.gz NSDJEPIREODMLD-QGZVFWFLSA-N 2 0 326.488 3.088 20 0 EGADRP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159022725 455345752 /nfs/dbraw/zinc/34/57/52/455345752.db2.gz WVLCJDLJOSBIAG-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)c1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245721835 455364537 /nfs/dbraw/zinc/36/45/37/455364537.db2.gz PWLARCFSOHQHEO-DLBZAZTESA-N 2 0 349.544 3.157 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)[NH+]1CCCCC1 ZINC000184512184 455393549 /nfs/dbraw/zinc/39/35/49/455393549.db2.gz CKJSHKPBHCUNBM-IAGOWNOFSA-N 2 0 327.476 3.182 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174520184 455399977 /nfs/dbraw/zinc/39/99/77/455399977.db2.gz IUCUGHCTLFVNTQ-HXUWFJFHSA-N 2 0 345.531 3.306 20 0 EGADRP CN(CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000245987877 455410801 /nfs/dbraw/zinc/41/08/01/455410801.db2.gz HNODOTUKGWBTJJ-FQEVSTJZSA-N 2 0 333.495 3.161 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182257402 455473768 /nfs/dbraw/zinc/47/37/68/455473768.db2.gz RGUKWIBZULQJEJ-YJBOKZPZSA-N 2 0 330.497 3.474 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000246491572 455500452 /nfs/dbraw/zinc/50/04/52/455500452.db2.gz RZWVKTAPOMZFEF-IAGOWNOFSA-N 2 0 332.488 3.476 20 0 EGADRP CN(C)c1cc[nH+]cc1CNC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185222591 455525018 /nfs/dbraw/zinc/52/50/18/455525018.db2.gz LOAIZXWUMOFFEW-OAQYLSRUSA-N 2 0 338.499 3.148 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000246837413 455529083 /nfs/dbraw/zinc/52/90/83/455529083.db2.gz ASTCOJCONVHXSV-LRDDRELGSA-N 2 0 343.284 3.451 20 0 EGADRP C[C@@H](C(=O)NC1CCCC1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246990695 455541459 /nfs/dbraw/zinc/54/14/59/455541459.db2.gz OFHCFSGTMJOIHE-FGTMMUONSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000247046537 455550656 /nfs/dbraw/zinc/55/06/56/455550656.db2.gz NAUKKYNUEQMMCO-YIOZNXECSA-N 2 0 331.504 3.033 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000247110158 455560920 /nfs/dbraw/zinc/56/09/20/455560920.db2.gz TTYPJQSYSLMEKZ-KCQAQPDRSA-N 2 0 342.430 3.157 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000247188175 455570287 /nfs/dbraw/zinc/57/02/87/455570287.db2.gz ZRCAKAMNYGLFRE-BBRMVZONSA-N 2 0 330.394 3.404 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247207784 455573704 /nfs/dbraw/zinc/57/37/04/455573704.db2.gz WUJFNBHVTFPXEF-CXQPBAHBSA-N 2 0 349.563 3.266 20 0 EGADRP COc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185672692 455593837 /nfs/dbraw/zinc/59/38/37/455593837.db2.gz GBHUPBKMGYZXQP-DLBZAZTESA-N 2 0 332.488 3.317 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268152549 455603818 /nfs/dbraw/zinc/60/38/18/455603818.db2.gz RQIHPRXWAQHDMM-HNNXBMFYSA-N 2 0 337.533 3.052 20 0 EGADRP C[C@H]1CCC[C@@](CNC(=O)c2sccc2C[NH+](C)C)([NH+](C)C)C1 ZINC000268178956 455611065 /nfs/dbraw/zinc/61/10/65/455611065.db2.gz WEDQCHZLILYUPV-KBXCAEBGSA-N 2 0 337.533 3.050 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000185872301 455638450 /nfs/dbraw/zinc/63/84/50/455638450.db2.gz FGMTYEXXFZIVRE-AWEZNQCLSA-N 2 0 343.487 3.117 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000271490158 455658134 /nfs/dbraw/zinc/65/81/34/455658134.db2.gz KFKLXQAJKUIWOB-BHIFYINESA-N 2 0 342.527 3.365 20 0 EGADRP CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248007915 455668949 /nfs/dbraw/zinc/66/89/49/455668949.db2.gz KYVMXFOHFZZUPT-IEBWSBKVSA-N 2 0 333.520 3.152 20 0 EGADRP COc1ccc2ccccc2c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268413596 455676160 /nfs/dbraw/zinc/67/61/60/455676160.db2.gz ITVNQPHYEYUZOI-UHFFFAOYSA-N 2 0 342.483 3.173 20 0 EGADRP COC1CCC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000284378445 455676633 /nfs/dbraw/zinc/67/66/33/455676633.db2.gz OGVLKOJCTDMLCF-UHFFFAOYSA-N 2 0 332.488 3.207 20 0 EGADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000284411000 455681460 /nfs/dbraw/zinc/68/14/60/455681460.db2.gz QFKHFPJGDPKKCM-ZWKOTPCHSA-N 2 0 333.520 3.152 20 0 EGADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccnc1 ZINC000186126671 455699501 /nfs/dbraw/zinc/69/95/01/455699501.db2.gz KMVKXBJUBYXYKS-UFYCRDLUSA-N 2 0 331.504 3.280 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000248826460 455732900 /nfs/dbraw/zinc/73/29/00/455732900.db2.gz GZELTQJUKYRTCJ-PKOBYXMFSA-N 2 0 348.531 3.449 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000268991325 455756589 /nfs/dbraw/zinc/75/65/89/455756589.db2.gz MLRKQTGGDQSMNB-HNNXBMFYSA-N 2 0 340.920 3.313 20 0 EGADRP c1cc2c(cc1[C@@H]1CCCN1CCC[NH+]1CCCCC1)OCCO2 ZINC000193458407 455760446 /nfs/dbraw/zinc/76/04/46/455760446.db2.gz BEBBIFHHLKWNBF-SFHVURJKSA-N 2 0 330.472 3.471 20 0 EGADRP CCOc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1OCC(C)C ZINC000271809184 455768874 /nfs/dbraw/zinc/76/88/74/455768874.db2.gz BFFHTHARJBPCEX-UHFFFAOYSA-N 2 0 332.488 3.472 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCCn1ccnc1C)CCC2 ZINC000278186072 455781221 /nfs/dbraw/zinc/78/12/21/455781221.db2.gz DXBOXWRKQDURBQ-HNNXBMFYSA-N 2 0 345.443 3.327 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CCSCC1 ZINC000249962389 455783654 /nfs/dbraw/zinc/78/36/54/455783654.db2.gz JUOJHTHGVKKPNY-JXFKEZNVSA-N 2 0 348.556 3.265 20 0 EGADRP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000269081632 455786073 /nfs/dbraw/zinc/78/60/73/455786073.db2.gz ZRYZTWUAJWTVHC-QUCCMNQESA-N 2 0 325.456 3.470 20 0 EGADRP C[C@H](CC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000194303657 455825830 /nfs/dbraw/zinc/82/58/30/455825830.db2.gz HLPGCECCIQFNFV-GOSISDBHSA-N 2 0 329.532 3.328 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2=CC[NH+](C)CC2)CC1 ZINC000285462695 455850296 /nfs/dbraw/zinc/85/02/96/455850296.db2.gz ZYFJONBVTVASSD-UHFFFAOYSA-N 3 0 327.516 3.281 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272227421 455883808 /nfs/dbraw/zinc/88/38/08/455883808.db2.gz QURHTCMMOHHZEH-RCZSKKKRSA-N 2 0 338.495 3.394 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1c1ccccc1 ZINC000261604143 455911056 /nfs/dbraw/zinc/91/10/56/455911056.db2.gz AUQKZFBOJWAFLD-YADHBBJMSA-N 2 0 346.478 3.106 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000261706646 455932785 /nfs/dbraw/zinc/93/27/85/455932785.db2.gz IWFHABWCLMPJSC-FFZOFVMBSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280274052 455932927 /nfs/dbraw/zinc/93/29/27/455932927.db2.gz MECFJPBUCXANMF-HZPDHXFCSA-N 2 0 337.939 3.448 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000261790111 455949137 /nfs/dbraw/zinc/94/91/37/455949137.db2.gz KXQIAWRMMPWUMJ-GOEBONIOSA-N 2 0 337.533 3.012 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261803330 455951349 /nfs/dbraw/zinc/95/13/49/455951349.db2.gz OHPFATYGLDUXCC-HXUWFJFHSA-N 2 0 326.488 3.027 20 0 EGADRP CCOc1cc(CN2CCC[C@H](C)[C@H]2C[NH3+])ccc1OC(F)F ZINC000261812899 455952670 /nfs/dbraw/zinc/95/26/70/455952670.db2.gz VUEIKWSCAUTIQZ-GXTWGEPZSA-N 2 0 328.403 3.246 20 0 EGADRP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272441446 455953152 /nfs/dbraw/zinc/95/31/52/455953152.db2.gz ISHQARVRKNPJFZ-KXBFYZLASA-N 2 0 326.488 3.037 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261886489 455966160 /nfs/dbraw/zinc/96/61/60/455966160.db2.gz VGMLBBGRXSCEGO-MJGOQNOKSA-N 2 0 343.515 3.067 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280424851 455968819 /nfs/dbraw/zinc/96/88/19/455968819.db2.gz ZHVHEZZJNCUJCM-OAHLLOKOSA-N 2 0 347.894 3.084 20 0 EGADRP [NH3+]C[C@@H]1CN(Cc2nccn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261925593 455973214 /nfs/dbraw/zinc/97/32/14/455973214.db2.gz KZBDJJSDQBPAFS-QUCCMNQESA-N 2 0 332.451 3.047 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261956508 455977711 /nfs/dbraw/zinc/97/77/11/455977711.db2.gz NZIGILIWIUFNBH-LBPRGKRZSA-N 2 0 344.286 3.253 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000272522154 455980638 /nfs/dbraw/zinc/98/06/38/455980638.db2.gz YIEVPYHYQVGWAM-LJQANCHMSA-N 2 0 344.886 3.476 20 0 EGADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000296584260 455981230 /nfs/dbraw/zinc/98/12/30/455981230.db2.gz XATQZQWKVRCITH-SJORKVTESA-N 2 0 331.504 3.065 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000262007162 455984997 /nfs/dbraw/zinc/98/49/97/455984997.db2.gz RWMGPHFKTGVMCG-CQSZACIVSA-N 2 0 335.517 3.057 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000262034412 455987560 /nfs/dbraw/zinc/98/75/60/455987560.db2.gz XOSAJXOHDXGKHP-UXHICEINSA-N 2 0 338.499 3.101 20 0 EGADRP Cc1ncsc1CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272608417 456012305 /nfs/dbraw/zinc/01/23/05/456012305.db2.gz ZLHKQYDFGXRHLC-CRAIPNDOSA-N 2 0 329.513 3.494 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000286295071 456018076 /nfs/dbraw/zinc/01/80/76/456018076.db2.gz WJUGOIGJBAKAIF-QHAWAJNXSA-N 2 0 338.499 3.201 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262681429 456052376 /nfs/dbraw/zinc/05/23/76/456052376.db2.gz XJMWPKODDFNDIW-RLLQIKCJSA-N 2 0 345.531 3.195 20 0 EGADRP C[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000296856243 456054215 /nfs/dbraw/zinc/05/42/15/456054215.db2.gz OWYCQMMZVNRTBU-LSDHHAIUSA-N 2 0 326.431 3.159 20 0 EGADRP CC(C)n1nccc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000280852147 456066019 /nfs/dbraw/zinc/06/60/19/456066019.db2.gz LJUXLOJUDOFFGD-UHFFFAOYSA-N 2 0 330.476 3.084 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000280900027 456076345 /nfs/dbraw/zinc/07/63/45/456076345.db2.gz PRMJFLRSJHOIMC-YLJYHZDGSA-N 2 0 329.532 3.415 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CCC1CC[NH2+]CC1 ZINC000263275178 456118628 /nfs/dbraw/zinc/11/86/28/456118628.db2.gz STDVHKPEJSIUGB-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP C[C@H](O)[C@@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000188897477 456164862 /nfs/dbraw/zinc/16/48/62/456164862.db2.gz RMWVDAVUINBDIP-LAUBAEHRSA-N 2 0 332.532 3.469 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236818900 456188961 /nfs/dbraw/zinc/18/89/61/456188961.db2.gz LEOCEMQTTOCTFP-APWZRJJASA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000236909482 456199135 /nfs/dbraw/zinc/19/91/35/456199135.db2.gz GBRSNSYPXJHRNL-OAQYLSRUSA-N 2 0 339.483 3.019 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000273187566 456206493 /nfs/dbraw/zinc/20/64/93/456206493.db2.gz GBBIRZBAJGVNJX-SQNIBIBYSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C[C@H](C)O1 ZINC000281344578 456208631 /nfs/dbraw/zinc/20/86/31/456208631.db2.gz UXQLDKMDPLPBOO-ZRGWGRIASA-N 2 0 335.467 3.151 20 0 EGADRP CCc1ccc([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+](C)C)cc1 ZINC000236980193 456213021 /nfs/dbraw/zinc/21/30/21/456213021.db2.gz RKAZHYVDURVIRN-PMACEKPBSA-N 2 0 339.483 3.058 20 0 EGADRP CC(C)c1cc(N2CCN(Cc3cccnc3)CC2)nc(C(C)C)n1 ZINC000301828450 456225990 /nfs/dbraw/zinc/22/59/90/456225990.db2.gz QHHCYLRYPXJAPE-UHFFFAOYSA-N 2 0 339.487 3.441 20 0 EGADRP COc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1Br ZINC000290308781 456286651 /nfs/dbraw/zinc/28/66/51/456286651.db2.gz BZIGSZDIOKFXGP-DOMZBBRYSA-N 2 0 341.293 3.230 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@@]1(C)CCCO1 ZINC000340172653 456288719 /nfs/dbraw/zinc/28/87/19/456288719.db2.gz UJQAVUXGADNUEO-NEYJZJCJSA-N 2 0 346.515 3.343 20 0 EGADRP Cc1noc(C)c1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793339 456310283 /nfs/dbraw/zinc/31/02/83/456310283.db2.gz WHUYMGQLFBOXGZ-VQTJNVASSA-N 2 0 339.483 3.288 20 0 EGADRP CN1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@@H]1c1ccccc1 ZINC000340205311 456315199 /nfs/dbraw/zinc/31/51/99/456315199.db2.gz PGDWWFUISRQKMB-UYAOXDASSA-N 2 0 328.431 3.243 20 0 EGADRP CSC1(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000290416698 456322469 /nfs/dbraw/zinc/32/24/69/456322469.db2.gz LVKLWJNFEATFIB-UHFFFAOYSA-N 2 0 347.572 3.022 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416350 456322608 /nfs/dbraw/zinc/32/26/08/456322608.db2.gz KJVWLOPVEUBVCW-IEBWSBKVSA-N 2 0 338.455 3.185 20 0 EGADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440852 456330208 /nfs/dbraw/zinc/33/02/08/456330208.db2.gz LVFKNWDYKGFRCI-WMZOPIPTSA-N 2 0 330.472 3.248 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(C2CC2)c1 ZINC000340234232 456330221 /nfs/dbraw/zinc/33/02/21/456330221.db2.gz HPGDTTKLGKOXGF-QGZVFWFLSA-N 2 0 329.532 3.488 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275930804 456353183 /nfs/dbraw/zinc/35/31/83/456353183.db2.gz XLQGRVPJZXPSIN-UXHICEINSA-N 2 0 330.516 3.322 20 0 EGADRP c1[nH]c2nccnc2c1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000290581813 456372856 /nfs/dbraw/zinc/37/28/56/456372856.db2.gz ZOICIQLGWHELFG-MRXNPFEDSA-N 2 0 327.476 3.046 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC000347866603 456414454 /nfs/dbraw/zinc/41/44/54/456414454.db2.gz PKRWOYGYYPMQBQ-PXNSSMCTSA-N 2 0 334.504 3.154 20 0 EGADRP CCN(Cc1ncc(CN(C)C)s1)[C@@H](COC)Cc1ccccc1 ZINC000347870779 456417072 /nfs/dbraw/zinc/41/70/72/456417072.db2.gz RZULMKZRZUVZLQ-QGZVFWFLSA-N 2 0 347.528 3.284 20 0 EGADRP Cc1ccc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000298345310 456430850 /nfs/dbraw/zinc/43/08/50/456430850.db2.gz JNISWJLWMBPGBX-NRFANRHFSA-N 2 0 338.499 3.251 20 0 EGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1C(F)(F)F ZINC000282203716 456443079 /nfs/dbraw/zinc/44/30/79/456443079.db2.gz GZOYEZLNEZBOIO-AWEZNQCLSA-N 2 0 343.437 3.382 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000303514340 456465275 /nfs/dbraw/zinc/46/52/75/456465275.db2.gz DGDCNNABTATLSF-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000303593338 456470022 /nfs/dbraw/zinc/47/00/22/456470022.db2.gz VSNDRYIPYBHSEO-PXNSSMCTSA-N 2 0 345.531 3.232 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OCC)CCCC2)[C@H](C)C1 ZINC000340466187 456475587 /nfs/dbraw/zinc/47/55/87/456475587.db2.gz PTRXKWDERUTZSU-QZTJIDSGSA-N 2 0 326.525 3.062 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OCC)CCCC2)[C@@H](C)C1 ZINC000340466188 456476322 /nfs/dbraw/zinc/47/63/22/456476322.db2.gz PTRXKWDERUTZSU-ROUUACIJSA-N 2 0 326.525 3.062 20 0 EGADRP COc1ccc(C)cc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298555238 456489504 /nfs/dbraw/zinc/48/95/04/456489504.db2.gz VGRQDKRFXWSVEP-UHFFFAOYSA-N 2 0 325.456 3.200 20 0 EGADRP CSC1(C[NH2+]Cc2coc(-c3ccccc3)n2)CC[NH+](C)CC1 ZINC000353196881 456552328 /nfs/dbraw/zinc/55/23/28/456552328.db2.gz UXURDKUZWJWKHC-UHFFFAOYSA-N 2 0 331.485 3.259 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000340600295 456561692 /nfs/dbraw/zinc/56/16/92/456561692.db2.gz KIYLXVMTIHQILG-KRWDZBQOSA-N 2 0 331.504 3.376 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000348254727 456573435 /nfs/dbraw/zinc/57/34/35/456573435.db2.gz FTQJAMGEKCZALA-MJGOQNOKSA-N 2 0 343.515 3.161 20 0 EGADRP CC1(C)CC[C@H](C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000310274859 456581064 /nfs/dbraw/zinc/58/10/64/456581064.db2.gz OGXAUJOJHJMBQD-SLFFLAALSA-N 2 0 328.500 3.398 20 0 EGADRP COC(=O)C1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310934586 456585577 /nfs/dbraw/zinc/58/55/77/456585577.db2.gz IDSRSPQVJOXAPH-OTBHMBEGSA-N 2 0 344.499 3.218 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCC(F)(F)CC1 ZINC000353275900 456603507 /nfs/dbraw/zinc/60/35/07/456603507.db2.gz KTOBVQZWWKYNLE-RRQGHBQHSA-N 2 0 330.463 3.168 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000343436516 456620601 /nfs/dbraw/zinc/62/06/01/456620601.db2.gz BHYHFOQNECRCQV-OALUTQOASA-N 2 0 333.520 3.364 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000348323124 456621256 /nfs/dbraw/zinc/62/12/56/456621256.db2.gz JJKSHEBZRLMBKZ-DBVUQKKJSA-N 2 0 333.520 3.006 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660782 /nfs/dbraw/zinc/66/07/82/456660782.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 2 0 329.532 3.348 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000324278158 456664253 /nfs/dbraw/zinc/66/42/53/456664253.db2.gz NNZKVWOLDPKQRH-INIZCTEOSA-N 2 0 343.393 3.009 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000324278160 456664334 /nfs/dbraw/zinc/66/43/34/456664334.db2.gz NNZKVWOLDPKQRH-MRXNPFEDSA-N 2 0 343.393 3.009 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277186590 456714002 /nfs/dbraw/zinc/71/40/02/456714002.db2.gz UKFBOZCLDHFOGF-LEWJYISDSA-N 2 0 348.506 3.362 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000353502766 456720959 /nfs/dbraw/zinc/72/09/59/456720959.db2.gz RDQTXJRAANEIOB-OXJNMPFZSA-N 2 0 329.488 3.247 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000343581749 456722439 /nfs/dbraw/zinc/72/24/39/456722439.db2.gz ONRMNYHBZGWJQP-HFCFLWKCSA-N 2 0 337.552 3.124 20 0 EGADRP OC[C@]1(Cc2ccccc2)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000291698215 456725801 /nfs/dbraw/zinc/72/58/01/456725801.db2.gz HWEWJVOODYMTEX-NRFANRHFSA-N 2 0 330.516 3.180 20 0 EGADRP CC(C)Cc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000353516739 456729563 /nfs/dbraw/zinc/72/95/63/456729563.db2.gz JMCDGQGZGBQNTG-YLJYHZDGSA-N 2 0 345.531 3.123 20 0 EGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000291725582 456734897 /nfs/dbraw/zinc/73/48/97/456734897.db2.gz NFJCDNDVDQQADM-SFTDATJTSA-N 2 0 328.500 3.033 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)cc1)C(C)C ZINC000299621780 456746808 /nfs/dbraw/zinc/74/68/08/456746808.db2.gz DWYLWHJGEBGZLY-VQTJNVASSA-N 2 0 343.515 3.274 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277285979 456760903 /nfs/dbraw/zinc/76/09/03/456760903.db2.gz SQRLDMRENMMRPP-GDBMZVCRSA-N 2 0 335.517 3.152 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329143 456780170 /nfs/dbraw/zinc/78/01/70/456780170.db2.gz VLSDUUODHUVGDU-SXLOBPIMSA-N 2 0 345.531 3.449 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000344157937 456802119 /nfs/dbraw/zinc/80/21/19/456802119.db2.gz BWPDTFPQJFSRTO-FGTMMUONSA-N 2 0 326.525 3.061 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CCC2 ZINC000353623220 456810912 /nfs/dbraw/zinc/81/09/12/456810912.db2.gz ATQJLLJAUMHWCV-SFHVURJKSA-N 2 0 334.529 3.490 20 0 EGADRP CSC1(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC[NH+](C)CC1 ZINC000353632112 456817718 /nfs/dbraw/zinc/81/77/18/456817718.db2.gz RLMCCJIJLVMUER-MRXNPFEDSA-N 2 0 325.497 3.335 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292004902 456827224 /nfs/dbraw/zinc/82/72/24/456827224.db2.gz BAZVOLNEWRDLAC-DLBZAZTESA-N 2 0 331.504 3.304 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)C[C@H]1C ZINC000353751979 456890083 /nfs/dbraw/zinc/89/00/83/456890083.db2.gz QYCKBDXBIKYCEM-QAPCUYQASA-N 2 0 329.492 3.317 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000353758155 456894042 /nfs/dbraw/zinc/89/40/42/456894042.db2.gz WAQUZXJYOUGYBX-APWZRJJASA-N 2 0 331.504 3.273 20 0 EGADRP CCc1nc(C(C)C)ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000339045555 456913729 /nfs/dbraw/zinc/91/37/29/456913729.db2.gz UXEDCOZMXBYEDN-JRGCBEDISA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cn1 ZINC000353842148 456931587 /nfs/dbraw/zinc/93/15/87/456931587.db2.gz MNXFCJXVPJPPIE-MDZRGWNJSA-N 2 0 337.483 3.397 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC000345973745 457009786 /nfs/dbraw/zinc/00/97/86/457009786.db2.gz BKDSARFFOFWPHW-QXAKKESOSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000354069145 457041105 /nfs/dbraw/zinc/04/11/05/457041105.db2.gz YBPCBWMSHQEBQX-GTUQPRBKSA-N 2 0 349.563 3.014 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354096729 457059850 /nfs/dbraw/zinc/05/98/50/457059850.db2.gz LDDVJCBAAGBXED-LJQANCHMSA-N 2 0 342.487 3.009 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000354098160 457060902 /nfs/dbraw/zinc/06/09/02/457060902.db2.gz VDZKQQABEARMGN-LJQANCHMSA-N 2 0 334.504 3.407 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288810 457071946 /nfs/dbraw/zinc/07/19/46/457071946.db2.gz NHSBWEGOSYJICP-UGSOOPFHSA-N 2 0 329.444 3.304 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)C[C@H]21 ZINC000342090353 457102141 /nfs/dbraw/zinc/10/21/41/457102141.db2.gz TUMBYETWAOENIH-BPLDGKMQSA-N 2 0 328.378 3.187 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177759 457111658 /nfs/dbraw/zinc/11/16/58/457111658.db2.gz QZIJHHQQDWZKJN-IBGZPJMESA-N 2 0 344.890 3.443 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCN(CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436043 457118325 /nfs/dbraw/zinc/11/83/25/457118325.db2.gz BTPRYRSUPIRGOA-QGZVFWFLSA-N 2 0 326.843 3.276 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)C[C@H]21 ZINC000342143766 457134072 /nfs/dbraw/zinc/13/40/72/457134072.db2.gz QSBKRUAXLCKDAK-GZBFAFLISA-N 2 0 328.378 3.143 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225751 457142033 /nfs/dbraw/zinc/14/20/33/457142033.db2.gz YLUPRWXLRNSYPL-WMLDXEAASA-N 2 0 337.895 3.473 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]21 ZINC000346841861 457181281 /nfs/dbraw/zinc/18/12/81/457181281.db2.gz HMRMZQOLPAKTDN-JRGCBEDISA-N 2 0 337.467 3.220 20 0 EGADRP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000354382082 457189896 /nfs/dbraw/zinc/18/98/96/457189896.db2.gz JJERNJUJZOTJIF-UHFFFAOYSA-N 2 0 325.456 3.052 20 0 EGADRP CCOc1cccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1OC(F)F ZINC000347077523 457218386 /nfs/dbraw/zinc/21/83/86/457218386.db2.gz VRPSKEIXHLRQKZ-CHWSQXEVSA-N 2 0 328.403 3.246 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000347103563 457230996 /nfs/dbraw/zinc/23/09/96/457230996.db2.gz MNPMPFQOWZCQKX-UHFFFAOYSA-N 2 0 334.467 3.457 20 0 EGADRP Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(-c2ccnn2C)c1 ZINC000357041789 457293251 /nfs/dbraw/zinc/29/32/51/457293251.db2.gz DEBKGQKVAKYVSW-SFHVURJKSA-N 2 0 338.499 3.217 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000354668398 457306792 /nfs/dbraw/zinc/30/67/92/457306792.db2.gz VKLQEJULOYRBQW-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000357076388 457309528 /nfs/dbraw/zinc/30/95/28/457309528.db2.gz IQECBWDCPVHQJD-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000360597594 457321790 /nfs/dbraw/zinc/32/17/90/457321790.db2.gz MCPGBGIXBUUHFP-XLIONFOSSA-N 2 0 346.515 3.063 20 0 EGADRP C[C@H]1CCC[C@H](C)C1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360943579 457451083 /nfs/dbraw/zinc/45/10/83/457451083.db2.gz WBUONKOOMKJLFI-ROUUACIJSA-N 2 0 330.520 3.008 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000392181176 457457460 /nfs/dbraw/zinc/45/74/60/457457460.db2.gz LLJGCDPVLZNIBQ-SFHVURJKSA-N 2 0 343.515 3.069 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000360965239 457472123 /nfs/dbraw/zinc/47/21/23/457472123.db2.gz DMZULKWAGATMGE-HXUWFJFHSA-N 2 0 343.515 3.021 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342732733 457484987 /nfs/dbraw/zinc/48/49/87/457484987.db2.gz LTUYIXLLVKIWCP-ZCNNSNEGSA-N 2 0 343.515 3.118 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342742362 457493247 /nfs/dbraw/zinc/49/32/47/457493247.db2.gz XGDMWDCZFHCQMH-CEXWTWQISA-N 2 0 334.504 3.179 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000357409134 457504235 /nfs/dbraw/zinc/50/42/35/457504235.db2.gz HOPOBWRZZVGGJN-APWZRJJASA-N 2 0 331.504 3.131 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342758513 457504404 /nfs/dbraw/zinc/50/44/04/457504404.db2.gz UICISIKMECLSTE-ABSDTBQOSA-N 2 0 343.515 3.065 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000356200045 457527651 /nfs/dbraw/zinc/52/76/51/457527651.db2.gz GDILZIJELRNWLA-KRWDZBQOSA-N 2 0 345.531 3.276 20 0 EGADRP Cc1[nH+]ccc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000352747345 457578365 /nfs/dbraw/zinc/57/83/65/457578365.db2.gz BRHGXNSUENGNMT-OKILXGFUSA-N 2 0 337.895 3.369 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000364450951 457608640 /nfs/dbraw/zinc/60/86/40/457608640.db2.gz UPSXPTWMUOIQJF-KFKAGJAMSA-N 2 0 344.503 3.494 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000361185152 457635459 /nfs/dbraw/zinc/63/54/59/457635459.db2.gz DEXJSIRBLWKDAN-UHFFFAOYSA-N 2 0 338.467 3.157 20 0 EGADRP CC(C)[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000370479135 457657955 /nfs/dbraw/zinc/65/79/55/457657955.db2.gz YZFHRCLFOULDSV-ILWGZMRPSA-N 2 0 343.559 3.384 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H](C)C3)CC1)C2 ZINC000370671100 457696501 /nfs/dbraw/zinc/69/65/01/457696501.db2.gz MFMCVDIVJRLVLH-RYGJVYDSSA-N 2 0 342.531 3.275 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000361400505 457719113 /nfs/dbraw/zinc/71/91/13/457719113.db2.gz PGOCCGJSJGFBHC-LJQANCHMSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000358005513 457737708 /nfs/dbraw/zinc/73/77/08/457737708.db2.gz NHZGEQZEPDTZQC-WMQCIHAUSA-N 2 0 329.532 3.142 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(C(C)(C)C)cc1 ZINC000433163206 457767997 /nfs/dbraw/zinc/76/79/97/457767997.db2.gz OLZZXDZWUILAPY-INIZCTEOSA-N 2 0 345.531 3.365 20 0 EGADRP C[C@]1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000375118991 457798914 /nfs/dbraw/zinc/79/89/14/457798914.db2.gz BEVSLBKBAMZMFP-LEWJYISDSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411409414 457879106 /nfs/dbraw/zinc/87/91/06/457879106.db2.gz BDTAOPYKUAEMQQ-GOSISDBHSA-N 2 0 343.515 3.134 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000411518725 457908239 /nfs/dbraw/zinc/90/82/39/457908239.db2.gz JUEJTYGVLPJCAE-CQSZACIVSA-N 2 0 345.512 3.152 20 0 EGADRP CCc1nc(C)c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000358318597 457930989 /nfs/dbraw/zinc/93/09/89/457930989.db2.gz MNBKBDRPYWIKNW-MAZHCROVSA-N 2 0 337.533 3.042 20 0 EGADRP Cc1noc([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411721889 457962143 /nfs/dbraw/zinc/96/21/43/457962143.db2.gz XCWYPTNBCNKHNP-IBGZPJMESA-N 2 0 340.471 3.353 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)C)[C@H](C)C1 ZINC000358395803 457977063 /nfs/dbraw/zinc/97/70/63/457977063.db2.gz INQJMYWCDGNCAF-FYQPLNBISA-N 2 0 340.552 3.164 20 0 EGADRP O=C(CN1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)cc1Cl ZINC000358515626 458051314 /nfs/dbraw/zinc/05/13/14/458051314.db2.gz MSDLVZPIXHTBJW-UHFFFAOYSA-N 2 0 342.270 3.007 20 0 EGADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)c(Cl)c1 ZINC000358521894 458054498 /nfs/dbraw/zinc/05/44/98/458054498.db2.gz YYYKRGIRBVQCGE-UHFFFAOYSA-N 2 0 342.270 3.007 20 0 EGADRP CC[N@H+](C)CCN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100730 /nfs/dbraw/zinc/10/07/30/458100730.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435372549 458122256 /nfs/dbraw/zinc/12/22/56/458122256.db2.gz RWEQPSVMJHLOIY-IRXDYDNUSA-N 2 0 347.466 3.103 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000435372827 458122459 /nfs/dbraw/zinc/12/24/59/458122459.db2.gz SRPAAGUJPNXAFP-IEBWSBKVSA-N 2 0 339.483 3.447 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435372860 458122922 /nfs/dbraw/zinc/12/29/22/458122922.db2.gz SUFUVKBZHZYLRO-JSGCOSHPSA-N 2 0 346.393 3.196 20 0 EGADRP C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@@H]1[NH3+] ZINC000435378824 458128802 /nfs/dbraw/zinc/12/88/02/458128802.db2.gz KDRPPIUIDOMYSL-JXFKEZNVSA-N 2 0 347.466 3.103 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000435387430 458131926 /nfs/dbraw/zinc/13/19/26/458131926.db2.gz AFMLVCOBVPRZHM-KRWDZBQOSA-N 2 0 326.488 3.010 20 0 EGADRP CC(C)(C)n1cc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000435388888 458134784 /nfs/dbraw/zinc/13/47/84/458134784.db2.gz HSBXEDGAFYORFI-LJQANCHMSA-N 2 0 341.503 3.177 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1)C1CC1 ZINC000428552103 458167778 /nfs/dbraw/zinc/16/77/78/458167778.db2.gz LVSUDGBINYINRN-UHFFFAOYSA-N 2 0 343.515 3.452 20 0 EGADRP CCN(CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623411 458174761 /nfs/dbraw/zinc/17/47/61/458174761.db2.gz CMPPGVBNSBMCAG-UYAOXDASSA-N 2 0 349.494 3.103 20 0 EGADRP c1csc(C[N@@H+](CCc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435697350 458186510 /nfs/dbraw/zinc/18/65/10/458186510.db2.gz SHEIYPYEHMDGKX-KRWDZBQOSA-N 2 0 327.497 3.330 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435756227 458197441 /nfs/dbraw/zinc/19/74/41/458197441.db2.gz PBUCIXKNMBWTSC-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362508496 458229070 /nfs/dbraw/zinc/22/90/70/458229070.db2.gz YHNSYRUSKMUICA-IAGOWNOFSA-N 2 0 347.503 3.219 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362508498 458229473 /nfs/dbraw/zinc/22/94/73/458229473.db2.gz YHNSYRUSKMUICA-SJORKVTESA-N 2 0 347.503 3.219 20 0 EGADRP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000369615630 458289664 /nfs/dbraw/zinc/28/96/64/458289664.db2.gz LGJCNSKNKAYXIV-APIJFGDWSA-N 2 0 341.952 3.119 20 0 EGADRP CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000372460042 458303807 /nfs/dbraw/zinc/30/38/07/458303807.db2.gz LUFVEFUJFKAOOM-NRFANRHFSA-N 2 0 349.563 3.366 20 0 EGADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC(C(C)(C)C)C3)cn2)CC1 ZINC000459379622 458351852 /nfs/dbraw/zinc/35/18/52/458351852.db2.gz SNVPVBYFHQGREA-UHFFFAOYSA-N 2 0 330.520 3.138 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000376738249 458379275 /nfs/dbraw/zinc/37/92/75/458379275.db2.gz DFTBVCJCNXPJSA-HXUWFJFHSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459463969 458379939 /nfs/dbraw/zinc/37/99/39/458379939.db2.gz HTRHWIDMMLRZAY-QZTJIDSGSA-N 2 0 344.547 3.397 20 0 EGADRP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)[C@@H]1OC ZINC000459465535 458381756 /nfs/dbraw/zinc/38/17/56/458381756.db2.gz NVYFTHYRLZDHPE-LZQZEXGQSA-N 2 0 331.504 3.480 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448066458 458386120 /nfs/dbraw/zinc/38/61/20/458386120.db2.gz DOSZLKCTBIXHQR-GOSISDBHSA-N 2 0 346.519 3.033 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423436748 458432619 /nfs/dbraw/zinc/43/26/19/458432619.db2.gz UAZMGLPAXDITTI-ROUUACIJSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423459475 458435604 /nfs/dbraw/zinc/43/56/04/458435604.db2.gz RGNCPYPQBLQCEH-CABCVRRESA-N 2 0 338.517 3.181 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423461424 458436678 /nfs/dbraw/zinc/43/66/78/458436678.db2.gz CMTQILYQBSRMJF-DSKINZAPSA-N 2 0 339.483 3.481 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C12CCC2 ZINC000423473154 458438351 /nfs/dbraw/zinc/43/83/51/458438351.db2.gz NSKFBVDARBRFRK-OJAHFUOMSA-N 2 0 346.490 3.456 20 0 EGADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OCc2nccn2C)cc1 ZINC000423475444 458438465 /nfs/dbraw/zinc/43/84/65/458438465.db2.gz HXYQCRRZLSZPDS-SJLPKXTDSA-N 2 0 342.487 3.182 20 0 EGADRP CC(C)[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423486710 458440895 /nfs/dbraw/zinc/44/08/95/458440895.db2.gz BXSFFBMCVASJPC-HZPDHXFCSA-N 2 0 330.394 3.371 20 0 EGADRP C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423527324 458452160 /nfs/dbraw/zinc/45/21/60/458452160.db2.gz MHQNVTNMPNERQD-FDTGPBLFSA-N 2 0 349.522 3.242 20 0 EGADRP Fc1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000423538375 458454864 /nfs/dbraw/zinc/45/48/64/458454864.db2.gz MQEJRVIDFXHDHN-IBGZPJMESA-N 2 0 329.394 3.349 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(Br)c1 ZINC000423538901 458455091 /nfs/dbraw/zinc/45/50/91/458455091.db2.gz OBVTZAZLZGGKLY-LBPRGKRZSA-N 2 0 339.277 3.418 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423537455 458455410 /nfs/dbraw/zinc/45/54/10/458455410.db2.gz JZBSQIIUVVGBRY-OALUTQOASA-N 2 0 334.891 3.330 20 0 EGADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000459730007 458460945 /nfs/dbraw/zinc/46/09/45/458460945.db2.gz JQJMLLFNVJICOX-ZDUSSCGKSA-N 2 0 326.868 3.179 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430559239 458461327 /nfs/dbraw/zinc/46/13/27/458461327.db2.gz CFJIAGFCAPVAEG-UHFFFAOYSA-N 2 0 348.878 3.254 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCc4nn(C)cc43)CC2)CC1 ZINC000377096133 458461554 /nfs/dbraw/zinc/46/15/54/458461554.db2.gz XVCJPJYBFAKPEX-FAFZWHIHSA-N 2 0 330.520 3.430 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000423634976 458465550 /nfs/dbraw/zinc/46/55/50/458465550.db2.gz DILOZMZZMBKXIJ-OAHLLOKOSA-N 2 0 343.446 3.049 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000459745829 458465963 /nfs/dbraw/zinc/46/59/63/458465963.db2.gz YLBMRFWGQBMRFF-GFCCVEGCSA-N 2 0 329.257 3.410 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000430583926 458466338 /nfs/dbraw/zinc/46/63/38/458466338.db2.gz YKWGGZLNOZURON-HIFRSBDPSA-N 2 0 325.884 3.281 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000430583727 458467038 /nfs/dbraw/zinc/46/70/38/458467038.db2.gz SWKWRNIYNMLZLG-HXUWFJFHSA-N 2 0 325.456 3.402 20 0 EGADRP OC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCCC1 ZINC000437575375 458468992 /nfs/dbraw/zinc/46/89/92/458468992.db2.gz ASMRDOMXIWAVSM-FQEVSTJZSA-N 2 0 328.500 3.280 20 0 EGADRP C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620588 458471763 /nfs/dbraw/zinc/47/17/63/458471763.db2.gz CCMJHUZVXOTINY-CVEARBPZSA-N 2 0 325.456 3.098 20 0 EGADRP C[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620599 458472110 /nfs/dbraw/zinc/47/21/10/458472110.db2.gz CCMJHUZVXOTINY-JKSUJKDBSA-N 2 0 325.456 3.098 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423744481 458477568 /nfs/dbraw/zinc/47/75/68/458477568.db2.gz NZTRJKXXOYFJBY-UHFFFAOYSA-N 2 0 345.531 3.396 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000430834424 458496352 /nfs/dbraw/zinc/49/63/52/458496352.db2.gz CWPYYTIGOKLHDD-UXHICEINSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000437848320 458502086 /nfs/dbraw/zinc/50/20/86/458502086.db2.gz TUSBPRKIMFZDAW-NTDBWNAOSA-N 2 0 335.536 3.161 20 0 EGADRP COc1cc(Br)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430898682 458502659 /nfs/dbraw/zinc/50/26/59/458502659.db2.gz DPUFRDMHOJKPQA-UHFFFAOYSA-N 2 0 339.277 3.033 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)ccc1F ZINC000430918081 458504919 /nfs/dbraw/zinc/50/49/19/458504919.db2.gz LRUMXCUSMXKMBO-CHWSQXEVSA-N 2 0 332.423 3.304 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)cc1F ZINC000430922612 458505874 /nfs/dbraw/zinc/50/58/74/458505874.db2.gz BNGLIAVCZALRGJ-CHWSQXEVSA-N 2 0 332.423 3.304 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000430925921 458506744 /nfs/dbraw/zinc/50/67/44/458506744.db2.gz MFXQUPYSESMJKN-DYVFJYSZSA-N 2 0 337.533 3.011 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000430934874 458508011 /nfs/dbraw/zinc/50/80/11/458508011.db2.gz QZYGLRDMPCZVHV-VXGBXAGGSA-N 2 0 343.393 3.092 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000430945743 458508570 /nfs/dbraw/zinc/50/85/70/458508570.db2.gz SMNTXGQERZSHKS-IIBYNOLFSA-N 2 0 343.515 3.093 20 0 EGADRP Cc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000377664241 458509156 /nfs/dbraw/zinc/50/91/56/458509156.db2.gz BWUCEDRNMHUMLF-HXUWFJFHSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000423906367 458510573 /nfs/dbraw/zinc/51/05/73/458510573.db2.gz QFQAVKAOQLCBFP-BWPNAZKDSA-N 2 0 345.531 3.023 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)CC1 ZINC000431052445 458522213 /nfs/dbraw/zinc/52/22/13/458522213.db2.gz XIADDBNOCCNSSI-XUVXKRRUSA-N 2 0 349.563 3.255 20 0 EGADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000373602672 458547758 /nfs/dbraw/zinc/54/77/58/458547758.db2.gz GDSLVQSVYQXRTK-BMFZPTHFSA-N 2 0 342.405 3.089 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC([NH+]2CCCC2)CC1)CC1CCCCC1 ZINC000424137047 458567589 /nfs/dbraw/zinc/56/75/89/458567589.db2.gz RNHPYKMRAYPCEG-SFHVURJKSA-N 2 0 335.536 3.151 20 0 EGADRP [NH3+][C@@H](CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)CC1CCCCC1 ZINC000424155584 458572551 /nfs/dbraw/zinc/57/25/51/458572551.db2.gz MXPZDYZDIJOZJQ-ROUUACIJSA-N 2 0 335.536 3.197 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424159384 458573714 /nfs/dbraw/zinc/57/37/14/458573714.db2.gz SLPLDTQFONGVEK-RBUKOAKNSA-N 2 0 337.552 3.301 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc2)n1 ZINC000424294382 458606200 /nfs/dbraw/zinc/60/62/00/458606200.db2.gz QBZSNNDQORCNRR-GOSISDBHSA-N 2 0 338.499 3.453 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424297544 458607647 /nfs/dbraw/zinc/60/76/47/458607647.db2.gz SWPIETBYFGHGPT-MRXNPFEDSA-N 2 0 337.467 3.242 20 0 EGADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424301639 458609800 /nfs/dbraw/zinc/60/98/00/458609800.db2.gz XXCBQIRYVAUDHG-KRWDZBQOSA-N 2 0 343.515 3.036 20 0 EGADRP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299823 458609815 /nfs/dbraw/zinc/60/98/15/458609815.db2.gz VXQULTNHGHUOFA-AWEZNQCLSA-N 2 0 330.451 3.159 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000494000256 458614593 /nfs/dbraw/zinc/61/45/93/458614593.db2.gz PNZPCBAKNSHHOT-HBWRTXEVSA-N 2 0 343.515 3.027 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431745446 458616738 /nfs/dbraw/zinc/61/67/38/458616738.db2.gz QQYYSNLHGBVCSB-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000546724974 458665791 /nfs/dbraw/zinc/66/57/91/458665791.db2.gz WSJNDYJFJRMHDW-DNVCBOLYSA-N 2 0 335.923 3.333 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502798245 458670928 /nfs/dbraw/zinc/67/09/28/458670928.db2.gz ZQPIZLFGIVMNJE-IRXDYDNUSA-N 2 0 348.535 3.145 20 0 EGADRP CCCN(CC[C@@H]1CCC[N@@H+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066006 458690925 /nfs/dbraw/zinc/69/09/25/458690925.db2.gz XIEOLXAZGZFFGB-KRWDZBQOSA-N 2 0 337.895 3.475 20 0 EGADRP c1sc2ccccc2c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243056 458729187 /nfs/dbraw/zinc/72/91/87/458729187.db2.gz VDNVAOQFEHRJDP-QGZVFWFLSA-N 2 0 330.497 3.492 20 0 EGADRP c1c2ccccc2sc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247942 458730767 /nfs/dbraw/zinc/73/07/67/458730767.db2.gz DYNKYICZSHKGPW-KRWDZBQOSA-N 2 0 330.497 3.492 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]CCCN2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000432418099 458736116 /nfs/dbraw/zinc/73/61/16/458736116.db2.gz PXZISPZPIWWSJU-RXVVDRJESA-N 2 0 330.516 3.407 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432438699 458740473 /nfs/dbraw/zinc/74/04/73/458740473.db2.gz BUQNUDRPDSJFDM-PXNSSMCTSA-N 2 0 336.495 3.483 20 0 EGADRP Cn1cncc1CC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000530355019 458753096 /nfs/dbraw/zinc/75/30/96/458753096.db2.gz ULKXWHXSEHYLFD-HXUWFJFHSA-N 2 0 332.407 3.483 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000472461347 458797573 /nfs/dbraw/zinc/79/75/73/458797573.db2.gz HLBJXHDERBFHDX-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000457020457 458839726 /nfs/dbraw/zinc/83/97/26/458839726.db2.gz DZQQRCQNGXBRRA-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000530901693 458842950 /nfs/dbraw/zinc/84/29/50/458842950.db2.gz QJHHTBUXHGNKMV-SJLPKXTDSA-N 2 0 342.487 3.474 20 0 EGADRP Cc1cccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000518269503 458852433 /nfs/dbraw/zinc/85/24/33/458852433.db2.gz FKVYCGNOBGAIAE-QFIPXVFZSA-N 2 0 337.511 3.463 20 0 EGADRP CCCCN(C(=O)C[N@H+](CC)C1CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000440953763 458870301 /nfs/dbraw/zinc/87/03/01/458870301.db2.gz GYWGLJCOPWJMFK-UHFFFAOYSA-N 2 0 337.552 3.409 20 0 EGADRP C[N@H+](CCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000457200683 458894953 /nfs/dbraw/zinc/89/49/53/458894953.db2.gz LQJQMHJSSMYYNI-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000474876118 458904433 /nfs/dbraw/zinc/90/44/33/458904433.db2.gz CSGKOLLDYFHGQI-PGYGNJIDSA-N 2 0 338.536 3.456 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(C)ccc(C)c2C)C[C@H]1C ZINC000531382251 458910097 /nfs/dbraw/zinc/91/00/97/458910097.db2.gz KASXBOQQEXVHIL-HOJAQTOUSA-N 2 0 348.531 3.156 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495684458 458918065 /nfs/dbraw/zinc/91/80/65/458918065.db2.gz BHDOFLNSZBDHKW-AQFXKWCLSA-N 2 0 339.524 3.001 20 0 EGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000556178594 458934277 /nfs/dbraw/zinc/93/42/77/458934277.db2.gz FOKVLBVRANSRNW-YPAWHYETSA-N 2 0 338.495 3.324 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000566440687 458935366 /nfs/dbraw/zinc/93/53/66/458935366.db2.gz PAPSUESVLSLTDQ-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP Cc1nnc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)s1 ZINC000556254216 458942625 /nfs/dbraw/zinc/94/26/25/458942625.db2.gz MQSFCPXBJZSIBY-UHFFFAOYSA-N 2 0 330.501 3.379 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495815263 458964396 /nfs/dbraw/zinc/96/43/96/458964396.db2.gz YDVBIWGUROPWKG-AQFXKWCLSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H]1CC[C@@](C)(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1(C)C ZINC000457510390 458982848 /nfs/dbraw/zinc/98/28/48/458982848.db2.gz LJKNXIOXUPJJRK-KKSFZXQISA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC000495960042 459019451 /nfs/dbraw/zinc/01/94/51/459019451.db2.gz DRSSWDBWQZMORR-AWEZNQCLSA-N 2 0 327.513 3.142 20 0 EGADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000556877976 459025430 /nfs/dbraw/zinc/02/54/30/459025430.db2.gz YIKHUCPICZSMSH-AZUAARDMSA-N 2 0 343.515 3.052 20 0 EGADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000556952039 459036802 /nfs/dbraw/zinc/03/68/02/459036802.db2.gz QTKGUHPJHNXLOZ-WZGPROSRSA-N 2 0 334.508 3.024 20 0 EGADRP Cc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000577495991 459042522 /nfs/dbraw/zinc/04/25/22/459042522.db2.gz DOGCKPDLHRRCPJ-GOSISDBHSA-N 2 0 325.456 3.472 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1C ZINC000567063029 459042688 /nfs/dbraw/zinc/04/26/88/459042688.db2.gz MICZOPZZHOFYHA-MRXNPFEDSA-N 2 0 326.488 3.393 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccsc2S1 ZINC000442891730 459057033 /nfs/dbraw/zinc/05/70/33/459057033.db2.gz SAKXFOYIBHNKNN-ZFWWWQNUSA-N 2 0 339.574 3.289 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442922266 459061594 /nfs/dbraw/zinc/06/15/94/459061594.db2.gz KCPAMXNKVMEFGH-OAHLLOKOSA-N 2 0 332.879 3.395 20 0 EGADRP Clc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000567235046 459070895 /nfs/dbraw/zinc/07/08/95/459070895.db2.gz YGUYFJWCHKHIAP-QGZVFWFLSA-N 2 0 345.874 3.080 20 0 EGADRP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058142 459079364 /nfs/dbraw/zinc/07/93/64/459079364.db2.gz JLTGIHARASODCY-HKUYNNGSSA-N 2 0 345.531 3.123 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000443065671 459082432 /nfs/dbraw/zinc/08/24/32/459082432.db2.gz CLKCCNYTVGCOIW-PXNSSMCTSA-N 2 0 337.467 3.427 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CS1 ZINC000567302534 459082396 /nfs/dbraw/zinc/08/23/96/459082396.db2.gz PEAYWHCVOXEDSA-UFYCRDLUSA-N 2 0 347.572 3.095 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000532406643 459082808 /nfs/dbraw/zinc/08/28/08/459082808.db2.gz MJIGGEDSVIQCIG-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065164 459083512 /nfs/dbraw/zinc/08/35/12/459083512.db2.gz ZMHVPGPHFXGGCS-HOTGVXAUSA-N 2 0 331.504 3.199 20 0 EGADRP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000496219451 459112924 /nfs/dbraw/zinc/11/29/24/459112924.db2.gz RKJMEZYNEKIEMI-INDMIFKZSA-N 2 0 345.487 3.007 20 0 EGADRP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000496219452 459113409 /nfs/dbraw/zinc/11/34/09/459113409.db2.gz RKJMEZYNEKIEMI-WJFTUGDTSA-N 2 0 345.487 3.007 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000567557791 459123414 /nfs/dbraw/zinc/12/34/14/459123414.db2.gz OBJAGOYPLDRSIN-MRXNPFEDSA-N 2 0 341.503 3.267 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000479464040 459141756 /nfs/dbraw/zinc/14/17/56/459141756.db2.gz KPPVFSAFSYPTAC-PZJWPPBQSA-N 2 0 336.479 3.492 20 0 EGADRP O[C@H](CCc1ccccc1)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567700924 459148967 /nfs/dbraw/zinc/14/89/67/459148967.db2.gz VBNQDUKFHVVPBU-FGZHOGPDSA-N 2 0 338.495 3.092 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000578174620 459157479 /nfs/dbraw/zinc/15/74/79/459157479.db2.gz DBBGLAGBYHFMIP-UHFFFAOYSA-N 2 0 326.431 3.159 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000479849197 459170305 /nfs/dbraw/zinc/17/03/05/459170305.db2.gz HRVJLMRXLGDZHG-FGTMMUONSA-N 2 0 335.561 3.451 20 0 EGADRP C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480147701 459185572 /nfs/dbraw/zinc/18/55/72/459185572.db2.gz WFZUQCBXOUUOFC-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000496479748 459207390 /nfs/dbraw/zinc/20/73/90/459207390.db2.gz YNOKYSCEHSPWEF-GJZGRUSLSA-N 2 0 339.524 3.285 20 0 EGADRP CCc1ccc([C@H](C[NH2+]Cc2ccc(N(C)CC)nc2)N(C)C)cc1 ZINC000480662695 459211276 /nfs/dbraw/zinc/21/12/76/459211276.db2.gz MBVAQBUMYWXKPA-FQEVSTJZSA-N 2 0 340.515 3.493 20 0 EGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000578545708 459219969 /nfs/dbraw/zinc/21/99/69/459219969.db2.gz ZPJHGUAATDTWQU-FQEVSTJZSA-N 3 0 338.499 3.396 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000590787013 459220011 /nfs/dbraw/zinc/22/00/11/459220011.db2.gz UEWMMBPRRFXTOQ-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000590786157 459220145 /nfs/dbraw/zinc/22/01/45/459220145.db2.gz DKROZXPGNVTLSZ-HFCFLWKCSA-N 2 0 337.552 3.122 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000568140264 459231236 /nfs/dbraw/zinc/23/12/36/459231236.db2.gz CHMYEIQUSNDZMV-WBVHZDCISA-N 2 0 344.499 3.182 20 0 EGADRP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000533440989 459235840 /nfs/dbraw/zinc/23/58/40/459235840.db2.gz VMLCWDLTBKMFKJ-CADBVGFASA-N 2 0 326.525 3.155 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC(=O)OC(C)(C)C ZINC000595094694 459243532 /nfs/dbraw/zinc/24/35/32/459243532.db2.gz HHWJTQNKWJYDSU-IKGGRYGDSA-N 2 0 326.525 3.453 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000568399285 459282183 /nfs/dbraw/zinc/28/21/83/459282183.db2.gz HZCNAFBRLIDDIY-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)[C@H](C)C1 ZINC000559912282 459284212 /nfs/dbraw/zinc/28/42/12/459284212.db2.gz VOTHPXAUAUSFIM-QAPCUYQASA-N 2 0 348.560 3.374 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)[C@H](C)C1 ZINC000559912280 459284917 /nfs/dbraw/zinc/28/49/17/459284917.db2.gz VOTHPXAUAUSFIM-CRAIPNDOSA-N 2 0 348.560 3.374 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)[C@@H](C)C1 ZINC000559912283 459285179 /nfs/dbraw/zinc/28/51/79/459285179.db2.gz VOTHPXAUAUSFIM-YJBOKZPZSA-N 2 0 348.560 3.374 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000496771338 459317269 /nfs/dbraw/zinc/31/72/69/459317269.db2.gz JTHICFIUMVDQEF-HZPDHXFCSA-N 2 0 327.513 3.048 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000560336469 459324663 /nfs/dbraw/zinc/32/46/63/459324663.db2.gz GOSJVYBHLWSFET-KRWDZBQOSA-N 2 0 343.515 3.016 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC000483174784 459348269 /nfs/dbraw/zinc/34/82/69/459348269.db2.gz KROHNJBYQKSVFP-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000582373418 459355498 /nfs/dbraw/zinc/35/54/98/459355498.db2.gz SATRZUCLGFTBTD-FQEVSTJZSA-N 2 0 336.495 3.173 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC000483311244 459359499 /nfs/dbraw/zinc/35/94/99/459359499.db2.gz SRGJKXRXSZCPST-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCOC[C@@H]2CCCO2)CC1 ZINC000582413888 459360405 /nfs/dbraw/zinc/36/04/05/459360405.db2.gz XOMXEXBDVVFHDD-CBNMVNINSA-N 2 0 346.515 3.215 20 0 EGADRP CC(C)C[C@H](C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)NC(=O)OC(C)(C)C ZINC000496918587 459370921 /nfs/dbraw/zinc/37/09/21/459370921.db2.gz FMYSOEYKSGGPED-IAGOWNOFSA-N 2 0 341.540 3.246 20 0 EGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000569002650 459380935 /nfs/dbraw/zinc/38/09/35/459380935.db2.gz BZWTWLIPSSCJNS-NHCUHLMSSA-N 3 0 329.532 3.048 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000591451732 459384012 /nfs/dbraw/zinc/38/40/12/459384012.db2.gz HJRXRXRYUGKVPV-OALUTQOASA-N 2 0 331.504 3.059 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000582660165 459403784 /nfs/dbraw/zinc/40/37/84/459403784.db2.gz NIIQRKAMNDICBB-CYBMUJFWSA-N 2 0 345.878 3.190 20 0 EGADRP Cc1noc(C)c1CN1CCN(c2nccc3ccc(C)cc32)CC1 ZINC000583021462 459469177 /nfs/dbraw/zinc/46/91/77/459469177.db2.gz IBNWMAGRRNYHHZ-UHFFFAOYSA-N 2 0 336.439 3.470 20 0 EGADRP Cn1ccc([C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000583558973 459559268 /nfs/dbraw/zinc/55/92/68/459559268.db2.gz CXUPMQBMMRYJEL-RPVQJOFSSA-N 2 0 332.879 3.270 20 0 EGADRP CC[N@H+](CCC(C)(C)C(=O)OC)CC1CCN(c2ccccn2)CC1 ZINC000526970391 459568148 /nfs/dbraw/zinc/56/81/48/459568148.db2.gz HDYVBFRWLIVRLZ-UHFFFAOYSA-N 2 0 347.503 3.209 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000572921079 459594454 /nfs/dbraw/zinc/59/44/54/459594454.db2.gz ZCOJDTVYJLDCHP-RTRPANQVSA-N 2 0 338.442 3.411 20 0 EGADRP Cc1cccc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000573084447 459622951 /nfs/dbraw/zinc/62/29/51/459622951.db2.gz VVPGSMDHWMIWLG-ZCNNSNEGSA-N 2 0 348.531 3.082 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000584110745 459656968 /nfs/dbraw/zinc/65/69/68/459656968.db2.gz QSYBZGNBCZVABW-MJGOQNOKSA-N 2 0 331.504 3.237 20 0 EGADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000573355361 459664044 /nfs/dbraw/zinc/66/40/44/459664044.db2.gz WCRVLPBFWGYZOP-IAECCPNBSA-N 2 0 339.458 3.253 20 0 EGADRP CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000584225915 459685100 /nfs/dbraw/zinc/68/51/00/459685100.db2.gz JRMIQHYFQRPCDP-QHAWAJNXSA-N 2 0 329.532 3.265 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527658350 459688435 /nfs/dbraw/zinc/68/84/35/459688435.db2.gz XHFCKINDCRTVIK-HLAWJBBLSA-N 2 0 329.532 3.328 20 0 EGADRP c1ccc(COc2cccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)nc1 ZINC000596639265 459709352 /nfs/dbraw/zinc/70/93/52/459709352.db2.gz PYAWNVOMTQDVEW-ICSRJNTNSA-N 2 0 337.467 3.377 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000584497373 459754062 /nfs/dbraw/zinc/75/40/62/459754062.db2.gz VAXORURKOSAFHV-LSDHHAIUSA-N 2 0 337.895 3.377 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@@H]3CC34CC4)cc2)CC1 ZINC000527846629 459756773 /nfs/dbraw/zinc/75/67/73/459756773.db2.gz FUZXTWXACZBWCP-PXNSSMCTSA-N 2 0 327.516 3.102 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527844504 459756987 /nfs/dbraw/zinc/75/69/87/459756987.db2.gz AWBPLKPGDBBFPV-GOSISDBHSA-N 2 0 339.886 3.084 20 0 EGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544570620 459769064 /nfs/dbraw/zinc/76/90/64/459769064.db2.gz QXXGKWSLOPOJTA-PDRSHUBSSA-N 2 0 333.564 3.207 20 0 EGADRP C[N@H+](CCC[NH2+]CCC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000584715304 459788987 /nfs/dbraw/zinc/78/89/87/459788987.db2.gz PZCJUMBJPPSYLP-UHFFFAOYSA-N 2 0 343.446 3.266 20 0 EGADRP CCC(=O)N1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000574287242 459802756 /nfs/dbraw/zinc/80/27/56/459802756.db2.gz MJAMACUGMYYOKO-UHFFFAOYSA-N 2 0 343.515 3.117 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000566104796 459804892 /nfs/dbraw/zinc/80/48/92/459804892.db2.gz CXZSBUHHFPVRID-LJQANCHMSA-N 2 0 344.503 3.372 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000545312795 459823830 /nfs/dbraw/zinc/82/38/30/459823830.db2.gz FYPHNXYZXVALKN-FQEVSTJZSA-N 2 0 329.532 3.298 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCSCc3ccccc3)C2)C1 ZINC000593315422 459839172 /nfs/dbraw/zinc/83/91/72/459839172.db2.gz JNLPGDITVQWBNR-OTWHNJEPSA-N 2 0 334.529 3.138 20 0 EGADRP CN(C)[C@H](C(=O)N1CCNCc2ccccc21)c1cccc(Cl)c1 ZINC000574640068 459847143 /nfs/dbraw/zinc/84/71/43/459847143.db2.gz GKDBUORFYIZHTA-SFHVURJKSA-N 2 0 343.858 3.079 20 0 EGADRP CC(C)c1ccc(CC[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000546007408 459886383 /nfs/dbraw/zinc/88/63/83/459886383.db2.gz WTYFPZPFKKWFNK-JOCHJYFZSA-N 2 0 343.559 3.453 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000588710611 459973914 /nfs/dbraw/zinc/97/39/14/459973914.db2.gz TZJOIEMQKLIORU-KDURUIRLSA-N 2 0 346.515 3.277 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)CC(C)(C)C ZINC000588900985 460000094 /nfs/dbraw/zinc/00/00/94/460000094.db2.gz BZONTPKVOZLANH-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000621718739 460024048 /nfs/dbraw/zinc/02/40/48/460024048.db2.gz RMFIAYVKTDQBJA-QFBILLFUSA-N 2 0 335.561 3.158 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc21 ZINC000621756296 460051838 /nfs/dbraw/zinc/05/18/38/460051838.db2.gz KLTPIQMUOXHOAE-AZUAARDMSA-N 2 0 343.515 3.442 20 0 EGADRP O=C(NCC12CCC[NH+]1CCC2)c1cccc(C[NH+]2CCCCC2)c1 ZINC000614228794 460057951 /nfs/dbraw/zinc/05/79/51/460057951.db2.gz RIOGBVKTZSQPCI-UHFFFAOYSA-N 2 0 341.499 3.031 20 0 EGADRP CCn1cc(CC[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775543 460058961 /nfs/dbraw/zinc/05/89/61/460058961.db2.gz RFBYMTFPTSTPQN-NHCUHLMSSA-N 2 0 340.515 3.118 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000576239981 460098974 /nfs/dbraw/zinc/09/89/74/460098974.db2.gz NVNLWIMEFBYFQX-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000614331507 460100152 /nfs/dbraw/zinc/10/01/52/460100152.db2.gz QRVPSOHEISFETA-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000576388798 460130942 /nfs/dbraw/zinc/13/09/42/460130942.db2.gz KKIBMMUZYSRVSU-LEWJYISDSA-N 2 0 349.478 3.334 20 0 EGADRP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000589743163 460135136 /nfs/dbraw/zinc/13/51/36/460135136.db2.gz AALIKDQBITYHEK-PKOBYXMFSA-N 2 0 344.499 3.363 20 0 EGADRP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062496 460358162 /nfs/dbraw/zinc/35/81/62/460358162.db2.gz UPFJLGQEDDJKLJ-SJORKVTESA-N 2 0 333.520 3.263 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000623070832 460402406 /nfs/dbraw/zinc/40/24/06/460402406.db2.gz SHEBHMZPXWKRGN-UHFFFAOYSA-N 2 0 332.492 3.121 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000631572880 460449768 /nfs/dbraw/zinc/44/97/68/460449768.db2.gz NZJNULSDAGDAOC-ACRUOGEOSA-N 2 0 340.511 3.446 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000631582300 460455018 /nfs/dbraw/zinc/45/50/18/460455018.db2.gz ZWJSJUOOZAWDIS-IEBWSBKVSA-N 2 0 343.515 3.316 20 0 EGADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000631582303 460455278 /nfs/dbraw/zinc/45/52/78/460455278.db2.gz ZWJSJUOOZAWDIS-PKOBYXMFSA-N 2 0 343.515 3.316 20 0 EGADRP CC(C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000628612233 460466275 /nfs/dbraw/zinc/46/62/75/460466275.db2.gz UZWXZZVXCLERSE-HXUWFJFHSA-N 2 0 345.531 3.087 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000634679030 460471846 /nfs/dbraw/zinc/47/18/46/460471846.db2.gz JMXQLXXOQOGFEO-IBGZPJMESA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000631667727 460502186 /nfs/dbraw/zinc/50/21/86/460502186.db2.gz RNXVQBKIVPQZKE-IMFGXOCKSA-N 2 0 338.499 3.155 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635345028 460749105 /nfs/dbraw/zinc/74/91/05/460749105.db2.gz JVWNZJVAQZYZAN-INIZCTEOSA-N 2 0 329.488 3.341 20 0 EGADRP CCCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000620757001 460764649 /nfs/dbraw/zinc/76/46/49/460764649.db2.gz QPYRFDSEIHPVGI-HDICACEKSA-N 2 0 334.504 3.454 20 0 EGADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000635495039 460810396 /nfs/dbraw/zinc/81/03/96/460810396.db2.gz MGHHNFJSOKLQMJ-AZUAARDMSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000629573797 460812656 /nfs/dbraw/zinc/81/26/56/460812656.db2.gz AYGWXCMMTWWAFU-MRXNPFEDSA-N 2 0 344.421 3.029 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000635564829 460834307 /nfs/dbraw/zinc/83/43/07/460834307.db2.gz KRFHZWUPIXLFTI-WSTZPKSXSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122154 460871320 /nfs/dbraw/zinc/87/13/20/460871320.db2.gz KWWNGLFBTYYWEE-ROUUACIJSA-N 2 0 334.504 3.346 20 0 EGADRP [NH3+][C@H](CO)c1ccc(-c2cccc(OCC[NH+]3CCCCC3)c2)cc1 ZINC000629698778 460871970 /nfs/dbraw/zinc/87/19/70/460871970.db2.gz ZCQVLRMAOOAMJB-OAQYLSRUSA-N 2 0 340.467 3.210 20 0 EGADRP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnn(CC[NH+](C)C)c2)cc1 ZINC000629707054 460879700 /nfs/dbraw/zinc/87/97/00/460879700.db2.gz GLBQTDRGHFJMPR-FQEVSTJZSA-N 2 0 326.488 3.486 20 0 EGADRP CN(C)CC[NH2+]Cc1ccc(-c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000629731456 460893219 /nfs/dbraw/zinc/89/32/19/460893219.db2.gz KQXPZGGZQKLQKR-UHFFFAOYSA-N 2 0 325.500 3.109 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635759782 460911958 /nfs/dbraw/zinc/91/19/58/460911958.db2.gz HSNRISJLPRUHGO-HXUWFJFHSA-N 2 0 341.499 3.280 20 0 EGADRP COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000608061841 460973795 /nfs/dbraw/zinc/97/37/95/460973795.db2.gz VMEAGVSEMMKBHP-KRWDZBQOSA-N 2 0 334.504 3.454 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000629971142 460980133 /nfs/dbraw/zinc/98/01/33/460980133.db2.gz ASOBMPOVQKTMQC-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000629971140 460980325 /nfs/dbraw/zinc/98/03/25/460980325.db2.gz ASOBMPOVQKTMQC-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000633375297 461063561 /nfs/dbraw/zinc/06/35/61/461063561.db2.gz JWJYLOWNACTPQF-SFHVURJKSA-N 2 0 345.487 3.102 20 0 EGADRP CCCCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348559 461141821 /nfs/dbraw/zinc/14/18/21/461141821.db2.gz IDUUODAFNMMTTN-ZOBUZTSGSA-N 2 0 337.533 3.204 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3coc(-c4cccs4)n3)C2)C1 ZINC000652348824 461143320 /nfs/dbraw/zinc/14/33/20/461143320.db2.gz SKJJLNNFPOYEAB-IIAWOOMASA-N 2 0 347.484 3.121 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290815 461167764 /nfs/dbraw/zinc/16/77/64/461167764.db2.gz KXJMCSHNILTNQS-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000662291430 461168525 /nfs/dbraw/zinc/16/85/25/461168525.db2.gz SESYFSGZYIQHDT-INIZCTEOSA-N 2 0 349.906 3.380 20 0 EGADRP c1cnc2cccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)c2c1 ZINC000637989603 461178204 /nfs/dbraw/zinc/17/82/04/461178204.db2.gz ZPXMPXUSBZFUKQ-UHFFFAOYSA-N 2 0 339.483 3.169 20 0 EGADRP c1c(C2CC[NH+](CCc3ccccc3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662328106 461195294 /nfs/dbraw/zinc/19/52/94/461195294.db2.gz YMHLGSAYJQTJGT-UHFFFAOYSA-N 2 0 338.499 3.299 20 0 EGADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000662372616 461218040 /nfs/dbraw/zinc/21/80/40/461218040.db2.gz ZCVQFSYTJMTLGY-HXUWFJFHSA-N 2 0 339.483 3.029 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C1=CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000638080475 461230877 /nfs/dbraw/zinc/23/08/77/461230877.db2.gz NVHVWYPJFNGLGH-LJQANCHMSA-N 2 0 341.499 3.115 20 0 EGADRP O=C(CCC1CC[NH2+]CC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646409974 461243497 /nfs/dbraw/zinc/24/34/97/461243497.db2.gz IHRXXKQYSOAICJ-HXUWFJFHSA-N 2 0 343.515 3.110 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638111335 461244793 /nfs/dbraw/zinc/24/47/93/461244793.db2.gz DUFXGOLVPLHCHB-RLLQIKCJSA-N 2 0 345.531 3.261 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638111336 461245491 /nfs/dbraw/zinc/24/54/91/461245491.db2.gz DUFXGOLVPLHCHB-SXLOBPIMSA-N 2 0 345.531 3.261 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000662445242 461246346 /nfs/dbraw/zinc/24/63/46/461246346.db2.gz QTPBNBLMRBDBHH-OALUTQOASA-N 2 0 337.552 3.112 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646427089 461253586 /nfs/dbraw/zinc/25/35/86/461253586.db2.gz JXSSWMICSKQXHM-OAQYLSRUSA-N 2 0 349.478 3.150 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)c2C1 ZINC000655446780 461254101 /nfs/dbraw/zinc/25/41/01/461254101.db2.gz APKYGPIQYKGSCN-GHTZIAJQSA-N 2 0 341.499 3.377 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446388 461254736 /nfs/dbraw/zinc/25/47/36/461254736.db2.gz RATSKTTYZHZQBM-PZJWPPBQSA-N 2 0 341.499 3.391 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137768 461266463 /nfs/dbraw/zinc/26/64/63/461266463.db2.gz NJCABWBLWOROOC-PSWRPDDJSA-N 2 0 341.543 3.138 20 0 EGADRP CCC(CC)(CNC(=O)N(C)CC(C)(C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000659454015 461354373 /nfs/dbraw/zinc/35/43/73/461354373.db2.gz CFMFOBIJEJGUGF-INIZCTEOSA-N 2 0 348.535 3.275 20 0 EGADRP CC(C)C[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000659469086 461359242 /nfs/dbraw/zinc/35/92/42/461359242.db2.gz KFXSITYXTFBTQZ-AEFFLSMTSA-N 2 0 348.535 3.131 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000668631029 461364678 /nfs/dbraw/zinc/36/46/78/461364678.db2.gz MVDREGGRRWZVJV-TZIWHRDSSA-N 2 0 346.515 3.408 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(OC(F)F)cc1 ZINC000638327006 461369115 /nfs/dbraw/zinc/36/91/15/461369115.db2.gz BNQAGKAYHDMZGU-ZDUSSCGKSA-N 2 0 342.430 3.174 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc2c1CC[NH2+]C2 ZINC000662791025 461371211 /nfs/dbraw/zinc/37/12/11/461371211.db2.gz IIKBZPNSBGAEAF-UHFFFAOYSA-N 2 0 349.478 3.223 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000655712251 461383058 /nfs/dbraw/zinc/38/30/58/461383058.db2.gz PIKDLGXVJIKBRT-QUCCMNQESA-N 2 0 327.516 3.049 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000642341747 461500059 /nfs/dbraw/zinc/50/00/59/461500059.db2.gz UIKCBZWYAZKZPE-JOCHJYFZSA-N 2 0 337.511 3.463 20 0 EGADRP COc1ccccc1N1CCC([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000631063356 461515012 /nfs/dbraw/zinc/51/50/12/461515012.db2.gz CNEDWBRIJSBOQQ-GOSISDBHSA-N 2 0 345.531 3.374 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000659980135 461526435 /nfs/dbraw/zinc/52/64/35/461526435.db2.gz RPBZJFOVCOGNGS-MRXNPFEDSA-N 2 0 347.528 3.272 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000653156307 461527291 /nfs/dbraw/zinc/52/72/91/461527291.db2.gz XIIAYRKCSZVOQP-LJQANCHMSA-N 2 0 343.515 3.289 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653168946 461534294 /nfs/dbraw/zinc/53/42/94/461534294.db2.gz UYTBAADWQVRFDA-NSISKUIASA-N 2 0 347.547 3.020 20 0 EGADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660009918 461544356 /nfs/dbraw/zinc/54/43/56/461544356.db2.gz CZFQVRYJRGRHEP-DOIPELPJSA-N 2 0 328.500 3.276 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CO1 ZINC000647181881 461549542 /nfs/dbraw/zinc/54/95/42/461549542.db2.gz WYFDNQJLNAOMRP-RXVVDRJESA-N 2 0 330.516 3.488 20 0 EGADRP COc1ccccc1N1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000631122124 461570593 /nfs/dbraw/zinc/57/05/93/461570593.db2.gz VIOLVLBVCXZUDS-UHFFFAOYSA-N 2 0 345.531 3.376 20 0 EGADRP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343725 461572325 /nfs/dbraw/zinc/57/23/25/461572325.db2.gz CMBCOKRPSKMGLE-TZIWHRDSSA-N 2 0 344.499 3.066 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]CCCc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000638797396 461585090 /nfs/dbraw/zinc/58/50/90/461585090.db2.gz QSYXPFQSSAPLKH-ICSRJNTNSA-N 2 0 340.515 3.243 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663357933 461586277 /nfs/dbraw/zinc/58/62/77/461586277.db2.gz ZYLDMLBCHSIZED-KDURUIRLSA-N 2 0 345.531 3.387 20 0 EGADRP Cc1cc([C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C2CC2)ccc1F ZINC000638804434 461589021 /nfs/dbraw/zinc/58/90/21/461589021.db2.gz UZDHVPMPYIHDOR-IBGZPJMESA-N 2 0 334.479 3.410 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000666404439 461606956 /nfs/dbraw/zinc/60/69/56/461606956.db2.gz CKERCGSRZLOWRI-UHFFFAOYSA-N 2 0 334.529 3.489 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638915396 461647135 /nfs/dbraw/zinc/64/71/35/461647135.db2.gz LQTUDZYSJRLTGL-MAUKXSAKSA-N 2 0 327.447 3.408 20 0 EGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663467169 461656734 /nfs/dbraw/zinc/65/67/34/461656734.db2.gz DDNZHCBBGDPOKK-QAPCUYQASA-N 2 0 329.488 3.418 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000656250466 461671327 /nfs/dbraw/zinc/67/13/27/461671327.db2.gz SJBVXYAIEGPODL-UHFFFAOYSA-N 2 0 330.451 3.093 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000643296100 461671985 /nfs/dbraw/zinc/67/19/85/461671985.db2.gz ZSPWFUNXUFSBQH-UHFFFAOYSA-N 2 0 328.460 3.048 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455433 461733385 /nfs/dbraw/zinc/73/33/85/461733385.db2.gz HKHRBIYNBLRKOX-HIFRSBDPSA-N 2 0 329.410 3.391 20 0 EGADRP CC[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000647498316 461737146 /nfs/dbraw/zinc/73/71/46/461737146.db2.gz FDOWXRFETBYTEJ-PXNSSMCTSA-N 2 0 325.456 3.220 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)C[C@H]21 ZINC000647511409 461741467 /nfs/dbraw/zinc/74/14/67/461741467.db2.gz IQDIACCQHDMWTK-SZVBFZGTSA-N 2 0 344.890 3.144 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480204 461741601 /nfs/dbraw/zinc/74/16/01/461741601.db2.gz FTOPEMDQMNLFQY-JBINPLMMSA-N 2 0 327.516 3.017 20 0 EGADRP CCc1nn(C)cc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000647532576 461750053 /nfs/dbraw/zinc/75/00/53/461750053.db2.gz IGJKNQSODIGHDL-RXVVDRJESA-N 2 0 340.515 3.155 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647535668 461751852 /nfs/dbraw/zinc/75/18/52/461751852.db2.gz UGQLBAZOXNRWCE-HNNXBMFYSA-N 2 0 332.879 3.146 20 0 EGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522376 461751963 /nfs/dbraw/zinc/75/19/63/461751963.db2.gz MFUVFMPKDVURON-WFASDCNBSA-N 2 0 339.277 3.395 20 0 EGADRP Brc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522375 461752355 /nfs/dbraw/zinc/75/23/55/461752355.db2.gz MFUVFMPKDVURON-SWLSCSKDSA-N 2 0 339.277 3.395 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534669 461754310 /nfs/dbraw/zinc/75/43/10/461754310.db2.gz ZRNKEZSRXUWNHK-GJZGRUSLSA-N 2 0 339.252 3.307 20 0 EGADRP COc1nc2ccccc2cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647542056 461754966 /nfs/dbraw/zinc/75/49/66/461754966.db2.gz MGDJYPQZLUTWHZ-QGZVFWFLSA-N 2 0 325.456 3.065 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543156 461756274 /nfs/dbraw/zinc/75/62/74/461756274.db2.gz IHKCTVWXYUQWDN-SJORKVTESA-N 2 0 325.456 3.152 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cnn1-c1ccc(F)cc1 ZINC000643536173 461756720 /nfs/dbraw/zinc/75/67/20/461756720.db2.gz SAOMUCNIIQKHPR-FZKQIMNGSA-N 2 0 328.435 3.113 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@@H]3CCC[C@H]32)cc1 ZINC000643536419 461756919 /nfs/dbraw/zinc/75/69/19/461756919.db2.gz QQVBUVNLCZQTIQ-UWHLTILDSA-N 3 0 339.527 3.161 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@H]3CCC[C@@H]32)cc1 ZINC000643536417 461757469 /nfs/dbraw/zinc/75/74/69/461757469.db2.gz QQVBUVNLCZQTIQ-IVAOSVALSA-N 3 0 339.527 3.161 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542873 461757820 /nfs/dbraw/zinc/75/78/20/461757820.db2.gz DHAVTLBAQNMMPX-CVEARBPZSA-N 2 0 342.512 3.417 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC[NH2+]1 ZINC000666687234 461760228 /nfs/dbraw/zinc/76/02/28/461760228.db2.gz GWHGLZPOIOJCPH-ZHALLVOQSA-N 2 0 344.503 3.051 20 0 EGADRP Brc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647549551 461762751 /nfs/dbraw/zinc/76/27/51/461762751.db2.gz HDGWSTDREDHKDM-SOUVJXGZSA-N 2 0 349.316 3.458 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccncc3Br)C2)CC1 ZINC000639175973 461781860 /nfs/dbraw/zinc/78/18/60/461781860.db2.gz BYIZILGCZZPRRX-AWEZNQCLSA-N 2 0 338.293 3.008 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@@H]3C[NH+](C)CC[C@@H]31)CC2 ZINC000639177222 461782856 /nfs/dbraw/zinc/78/28/56/461782856.db2.gz BXEKWRWSXRUJMH-BPQIPLTHSA-N 2 0 330.472 3.107 20 0 EGADRP CO[C@@H]1CCC[NH+](CC[C@@H](C)CC[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000663758687 461792032 /nfs/dbraw/zinc/79/20/32/461792032.db2.gz ADUDPYSOGOQMRQ-OWZKRDHZSA-N 2 0 340.552 3.405 20 0 EGADRP COCCSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786662 461834935 /nfs/dbraw/zinc/83/49/35/461834935.db2.gz VAHBGRVMIMQKQE-DZJNRPSUSA-N 2 0 334.529 3.464 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)n1 ZINC000647788327 461836051 /nfs/dbraw/zinc/83/60/51/461836051.db2.gz HXWJBSFQSGPMQW-XUVXKRRUSA-N 2 0 338.499 3.009 20 0 EGADRP COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@H](O)C[N@H+](C)C(C)C ZINC000660533065 461836328 /nfs/dbraw/zinc/83/63/28/461836328.db2.gz BJSJGGHDZQBTEJ-LMMKCTJWSA-N 2 0 334.504 3.169 20 0 EGADRP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791678 461836878 /nfs/dbraw/zinc/83/68/78/461836878.db2.gz KBLIHIHPFWNTEF-ZHALLVOQSA-N 2 0 331.529 3.035 20 0 EGADRP c1cc(OC2CCCCC2)ncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793317 461838076 /nfs/dbraw/zinc/83/80/76/461838076.db2.gz TUVYIVJDQANQMG-OKZBNKHCSA-N 2 0 329.488 3.271 20 0 EGADRP c1ccc(COCCC2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647795711 461838585 /nfs/dbraw/zinc/83/85/85/461838585.db2.gz UHOPPEPZPVABAK-VAMGGRTRSA-N 2 0 328.500 3.351 20 0 EGADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798938 461842150 /nfs/dbraw/zinc/84/21/50/461842150.db2.gz ZEVJVXTWWQCUJR-BRWVUGGUSA-N 2 0 346.544 3.032 20 0 EGADRP CC[C@@H]1C[N@H+](CC2(COc3cccc(COC)c3)CCC2)CC[C@@H]1[NH3+] ZINC000647934877 461892202 /nfs/dbraw/zinc/89/22/02/461892202.db2.gz SZICLSGZNWCJCR-QUCCMNQESA-N 2 0 346.515 3.441 20 0 EGADRP c1ccc(-c2ncc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cn2)cc1 ZINC000656784540 461893716 /nfs/dbraw/zinc/89/37/16/461893716.db2.gz DUZYCYDOZZKKOV-FQEVSTJZSA-N 2 0 336.483 3.355 20 0 EGADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647938358 461895628 /nfs/dbraw/zinc/89/56/28/461895628.db2.gz KQLBOQKYBZUVAO-QAPCUYQASA-N 2 0 325.456 3.228 20 0 EGADRP CCOc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OC ZINC000656785989 461896129 /nfs/dbraw/zinc/89/61/29/461896129.db2.gz OYGBNXCMRDYPQO-SFHVURJKSA-N 2 0 332.488 3.306 20 0 EGADRP c1cn(-c2csc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c2)cn1 ZINC000656786801 461897594 /nfs/dbraw/zinc/89/75/94/461897594.db2.gz QTZNRWYGYKQSIE-INIZCTEOSA-N 2 0 330.501 3.145 20 0 EGADRP Nc1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000656787341 461898414 /nfs/dbraw/zinc/89/84/14/461898414.db2.gz HUDOSHCVPGSSEG-UHFFFAOYSA-N 2 0 325.456 3.033 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc2cccnc12 ZINC000650707222 461899417 /nfs/dbraw/zinc/89/94/17/461899417.db2.gz ANIXLCCFDLFHJJ-ZCNNSNEGSA-N 2 0 339.483 3.262 20 0 EGADRP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000650711191 461904741 /nfs/dbraw/zinc/90/47/41/461904741.db2.gz LESMPRUFSKZCFJ-HOCLYGCPSA-N 2 0 336.476 3.052 20 0 EGADRP c1ccc(C(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000647971872 461913527 /nfs/dbraw/zinc/91/35/27/461913527.db2.gz WTFOMESCMZVETL-SFTDATJTSA-N 2 0 336.479 3.334 20 0 EGADRP c1ccc(C(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000647971869 461914386 /nfs/dbraw/zinc/91/43/86/461914386.db2.gz WTFOMESCMZVETL-LEWJYISDSA-N 2 0 336.479 3.334 20 0 EGADRP CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)c2O1 ZINC000650723666 461916472 /nfs/dbraw/zinc/91/64/72/461916472.db2.gz ROICSYKFLMOGGI-IPMKNSEASA-N 2 0 344.499 3.261 20 0 EGADRP CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975264 461916826 /nfs/dbraw/zinc/91/68/26/461916826.db2.gz SZQVYNPEKOEXHF-CVEARBPZSA-N 2 0 347.528 3.059 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975892 461917079 /nfs/dbraw/zinc/91/70/79/461917079.db2.gz HHHWLLWQABMRNI-ZWKOTPCHSA-N 2 0 332.488 3.176 20 0 EGADRP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975446 461917305 /nfs/dbraw/zinc/91/73/05/461917305.db2.gz AKPJGNRAYALCON-FHWLQOOXSA-N 2 0 343.515 3.140 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647978892 461920235 /nfs/dbraw/zinc/92/02/35/461920235.db2.gz ZXQYTKKWVCQMKC-FHWLQOOXSA-N 2 0 343.515 3.342 20 0 EGADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000660696178 461927697 /nfs/dbraw/zinc/92/76/97/461927697.db2.gz OLFOEFSWIPIGKM-LJQANCHMSA-N 2 0 330.516 3.179 20 0 EGADRP C[C@H](NCc1ccc(C[NH3+])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650754213 461934349 /nfs/dbraw/zinc/93/43/49/461934349.db2.gz DDPWVSCZADZUJU-JXFKEZNVSA-N 2 0 341.474 3.285 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)c(F)c1 ZINC000650752831 461935705 /nfs/dbraw/zinc/93/57/05/461935705.db2.gz BHDNAKWTZAOYHR-UHFFFAOYSA-N 2 0 349.400 3.321 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000650761805 461940075 /nfs/dbraw/zinc/94/00/75/461940075.db2.gz KXODQXDGNVLUDQ-FKBYEOEOSA-N 3 0 341.543 3.409 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000650764352 461942588 /nfs/dbraw/zinc/94/25/88/461942588.db2.gz WRCQMQGJYPYNFJ-CYBMUJFWSA-N 2 0 347.894 3.269 20 0 EGADRP CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC[C@@H]1[NH3+] ZINC000667099718 461949532 /nfs/dbraw/zinc/94/95/32/461949532.db2.gz UNUUUFKZWGBZEG-KDOFPFPSSA-N 2 0 340.427 3.465 20 0 EGADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657292189 462021162 /nfs/dbraw/zinc/02/11/62/462021162.db2.gz FVYVZFNIIXDSNT-MAUKXSAKSA-N 2 0 348.535 3.270 20 0 EGADRP CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cnc3n2CCC3)c1 ZINC000657331203 462050727 /nfs/dbraw/zinc/05/07/27/462050727.db2.gz TVXOSNMNBPFVKK-UHFFFAOYSA-N 2 0 326.444 3.104 20 0 EGADRP CCc1cccc2cc(C[NH2+]C[C@H](C)CN3CC[NH+](CC)CC3)oc21 ZINC000657347250 462062176 /nfs/dbraw/zinc/06/21/76/462062176.db2.gz PMJGGIZTNPWLRO-KRWDZBQOSA-N 2 0 343.515 3.358 20 0 EGADRP CCc1cccc2cc(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)oc21 ZINC000657397529 462096904 /nfs/dbraw/zinc/09/69/04/462096904.db2.gz YGEUOQOJHNDDNX-UHFFFAOYSA-N 2 0 330.472 3.320 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](CC)CC)CCO1 ZINC000648425799 462114353 /nfs/dbraw/zinc/11/43/53/462114353.db2.gz QDYKSAOUKHRBSB-OALUTQOASA-N 2 0 334.504 3.454 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000648428778 462115739 /nfs/dbraw/zinc/11/57/39/462115739.db2.gz YMCKTZAMDFEWBK-PZJWPPBQSA-N 2 0 345.531 3.136 20 0 EGADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCC2)cc1 ZINC000654307268 462148403 /nfs/dbraw/zinc/14/84/03/462148403.db2.gz QUSGVGXJBACZGV-WOJBJXKFSA-N 2 0 341.499 3.029 20 0 EGADRP c1c2cnccc2oc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613237 462204260 /nfs/dbraw/zinc/20/42/60/462204260.db2.gz JKUKBJYNECBLBN-UHFFFAOYSA-N 2 0 336.439 3.225 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000667723787 462230593 /nfs/dbraw/zinc/23/05/93/462230593.db2.gz GINCZMIUEQLWCN-UHFFFAOYSA-N 2 0 344.503 3.265 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccc(Cl)cc1 ZINC000667726289 462232460 /nfs/dbraw/zinc/23/24/60/462232460.db2.gz QLBMBSYPUNDPMT-QGZVFWFLSA-N 2 0 346.862 3.223 20 0 EGADRP c1cc2c(cc1C[NH2+]CC1CC[NH+](CC3CC3)CC1)OCCCCO2 ZINC000657813887 462279176 /nfs/dbraw/zinc/27/91/76/462279176.db2.gz DCEHASWTOLPVLK-UHFFFAOYSA-N 2 0 344.499 3.450 20 0 EGADRP COc1nc2ccccc2cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813734 462279483 /nfs/dbraw/zinc/27/94/83/462279483.db2.gz YTCHUJBODDXXIG-UHFFFAOYSA-N 2 0 339.483 3.455 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651679379 462301060 /nfs/dbraw/zinc/30/10/60/462301060.db2.gz ZEAAZLQSRGDSEN-HDICACEKSA-N 2 0 341.503 3.115 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc2cnccc2o1 ZINC000651691927 462304814 /nfs/dbraw/zinc/30/48/14/462304814.db2.gz MCKVMWBELUEIJE-UHFFFAOYSA-N 2 0 325.412 3.058 20 0 EGADRP C[C@@H](Oc1ccc([C@H](C)NC[C@H](O)C[NH+](C)C)cc1)c1ccccc1 ZINC000657876051 462304867 /nfs/dbraw/zinc/30/48/67/462304867.db2.gz TZYVQARWHGPLPB-QKLQHJQFSA-N 2 0 342.483 3.400 20 0 EGADRP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000651758880 462326925 /nfs/dbraw/zinc/32/69/25/462326925.db2.gz QXLGYCIXBUNKPE-WOJBJXKFSA-N 2 0 348.531 3.184 20 0 EGADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000661642294 462344355 /nfs/dbraw/zinc/34/43/55/462344355.db2.gz DHHNAFYWJQIETF-NRFANRHFSA-N 2 0 329.532 3.111 20 0 EGADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000661645429 462346490 /nfs/dbraw/zinc/34/64/90/462346490.db2.gz RBKGYKMYAUMFOH-SFTDATJTSA-N 2 0 329.532 3.110 20 0 EGADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000651829784 462351285 /nfs/dbraw/zinc/35/12/85/462351285.db2.gz MYLPVLZLEGZETQ-GOSISDBHSA-N 2 0 326.488 3.311 20 0 EGADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000665263031 462375291 /nfs/dbraw/zinc/37/52/91/462375291.db2.gz DWDLRYAMTCRDKJ-UQVNRYHBSA-N 2 0 328.500 3.460 20 0 EGADRP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291739 462389209 /nfs/dbraw/zinc/38/92/09/462389209.db2.gz JYRHRDSRAPODAC-HNNXBMFYSA-N 2 0 348.878 3.041 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000640534173 462432971 /nfs/dbraw/zinc/43/29/71/462432971.db2.gz MTWFXCHRRCRFMK-GOSISDBHSA-N 2 0 331.504 3.062 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CCC(C)(C)[NH3+])c1ccccc1Cl ZINC000649278002 462465548 /nfs/dbraw/zinc/46/55/48/462465548.db2.gz CFRWMNNGBDLLGA-MRXNPFEDSA-N 2 0 339.911 3.357 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CCC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000649303756 462473353 /nfs/dbraw/zinc/47/33/53/462473353.db2.gz ACEDFXOFQGQIRS-SFHVURJKSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178253504 533808241 /nfs/dbraw/zinc/80/82/41/533808241.db2.gz OCINTKOTHDKPQM-KRWDZBQOSA-N 3 0 345.531 3.152 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000174628811 527882112 /nfs/dbraw/zinc/88/21/12/527882112.db2.gz MRJXDMLBHGRBJC-CJNGLKHVSA-N 2 0 330.394 3.448 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000131184687 527964002 /nfs/dbraw/zinc/96/40/02/527964002.db2.gz PHHDVTSEIFTBQE-SFHVURJKSA-N 2 0 347.547 3.398 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OCC ZINC000154902697 528424724 /nfs/dbraw/zinc/42/47/24/528424724.db2.gz UOWJMUMEBSNYNE-LZLYRXPVSA-N 2 0 334.504 3.345 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000346253851 535152016 /nfs/dbraw/zinc/15/20/16/535152016.db2.gz VABOVQYWYSTTNN-UHFFFAOYSA-N 2 0 332.357 3.005 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000344663643 535164913 /nfs/dbraw/zinc/16/49/13/535164913.db2.gz HUVSGSUPZGOMAT-UHFFFAOYSA-N 2 0 339.483 3.074 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000264197602 535176450 /nfs/dbraw/zinc/17/64/50/535176450.db2.gz OVZHBNSGOGEJHU-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000247129515 535526141 /nfs/dbraw/zinc/52/61/41/535526141.db2.gz VISQYFNJYVVYNU-QKLQHJQFSA-N 2 0 334.504 3.483 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000236876876 535560230 /nfs/dbraw/zinc/56/02/30/535560230.db2.gz HWQYHUAKNLLNIZ-UHFFFAOYSA-N 2 0 341.455 3.118 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000185509992 535733719 /nfs/dbraw/zinc/73/37/19/535733719.db2.gz LVWFNMHCTZKUFI-OFLPRAFFSA-N 2 0 347.469 3.067 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCF)CC1 ZINC000351760620 535747044 /nfs/dbraw/zinc/74/70/44/535747044.db2.gz VGCXGRYNRGFKRG-OAHLLOKOSA-N 2 0 325.447 3.368 20 0 EGADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000265044918 535944511 /nfs/dbraw/zinc/94/45/11/535944511.db2.gz NXSLATVHAPGMOZ-INIZCTEOSA-N 2 0 325.456 3.052 20 0 EGADRP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000348056399 536419611 /nfs/dbraw/zinc/41/96/11/536419611.db2.gz RDWQQRCIOLGTGA-RXVVDRJESA-N 2 0 326.484 3.017 20 0 EGADRP CCC(=O)N1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000089144638 546641531 /nfs/dbraw/zinc/64/15/31/546641531.db2.gz GUHRKRVHSKBRNW-UHFFFAOYSA-N 2 0 331.504 3.017 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185045 546654308 /nfs/dbraw/zinc/65/43/08/546654308.db2.gz CDEYETFFTOZIAU-FQEVSTJZSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000090723586 546660168 /nfs/dbraw/zinc/66/01/68/546660168.db2.gz BGTSHAZSYRCYHI-KRWDZBQOSA-N 2 0 346.515 3.202 20 0 EGADRP CCC1(CO)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093592532 546684239 /nfs/dbraw/zinc/68/42/39/546684239.db2.gz MUYNEIMAXJBBHA-UHFFFAOYSA-N 2 0 346.515 3.146 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000129089532 546784675 /nfs/dbraw/zinc/78/46/75/546784675.db2.gz DEUWBQUQOXQLGB-QFBILLFUSA-N 2 0 333.495 3.423 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000129360783 546786945 /nfs/dbraw/zinc/78/69/45/546786945.db2.gz BKVZVJAPPAULAC-ZDUSSCGKSA-N 2 0 330.394 3.448 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC000165881129 546985649 /nfs/dbraw/zinc/98/56/49/546985649.db2.gz OENGKZCPSXVAOC-KRWDZBQOSA-N 2 0 339.483 3.481 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072292 547568009 /nfs/dbraw/zinc/56/80/09/547568009.db2.gz WCEIEVVERXXTSA-SFTDATJTSA-N 2 0 327.516 3.176 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000339069867 547569606 /nfs/dbraw/zinc/56/96/06/547569606.db2.gz YCLOPBQBKKIVPO-ROUUACIJSA-N 2 0 349.469 3.146 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000392754150 547833618 /nfs/dbraw/zinc/83/36/18/547833618.db2.gz AKEAHWUWQTWTCV-UHFFFAOYSA-N 2 0 337.467 3.426 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1 ZINC000414302149 547855945 /nfs/dbraw/zinc/85/59/45/547855945.db2.gz NYCJEPQVORCDJN-DZUCGIPZSA-N 2 0 330.463 3.168 20 0 EGADRP Brc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000414830849 547860290 /nfs/dbraw/zinc/86/02/90/547860290.db2.gz MJKBCDWLQQMWCW-LBPRGKRZSA-N 2 0 334.261 3.087 20 0 EGADRP CC1([NH2+]Cc2ccc(Br)c3cccnc23)CC[NH2+]CC1 ZINC000414943616 547861185 /nfs/dbraw/zinc/86/11/85/547861185.db2.gz OAEOUPRCXKPGFO-UHFFFAOYSA-N 2 0 334.261 3.229 20 0 EGADRP [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414974322 547862281 /nfs/dbraw/zinc/86/22/81/547862281.db2.gz JTLSHGHBISNOQA-HKUYNNGSSA-N 2 0 344.503 3.106 20 0 EGADRP COC(C)(C)[C@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000671098847 548249052 /nfs/dbraw/zinc/24/90/52/548249052.db2.gz IIVKLSVHZLLOCC-IBGZPJMESA-N 2 0 347.547 3.300 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000675499214 548929973 /nfs/dbraw/zinc/92/99/73/548929973.db2.gz CCVAMVLKLFYYJY-UHFFFAOYSA-N 2 0 325.456 3.290 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742237 548971871 /nfs/dbraw/zinc/97/18/71/548971871.db2.gz MGRGAIMJFHXKPG-HXUWFJFHSA-N 2 0 331.548 3.259 20 0 EGADRP Cc1csc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000675748128 548973422 /nfs/dbraw/zinc/97/34/22/548973422.db2.gz BDVMDBUMLDJWQV-OAHLLOKOSA-N 2 0 333.501 3.285 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)n1 ZINC000676056454 549030977 /nfs/dbraw/zinc/03/09/77/549030977.db2.gz WSUPXVGVNBJRJL-MRXNPFEDSA-N 2 0 342.487 3.275 20 0 EGADRP CC(C)OC1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000676906095 549176928 /nfs/dbraw/zinc/17/69/28/549176928.db2.gz VZFGIVZMFYBGOZ-UHFFFAOYSA-N 2 0 334.504 3.453 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000677194223 549228862 /nfs/dbraw/zinc/22/88/62/549228862.db2.gz RKFXLLRBZPGRHW-QGZVFWFLSA-N 2 0 331.504 3.085 20 0 EGADRP CN1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)Cc2ccccc21 ZINC000678238110 549439171 /nfs/dbraw/zinc/43/91/71/549439171.db2.gz RSEHIRMZITZCPY-UHFFFAOYSA-N 2 0 339.483 3.079 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286382 549460500 /nfs/dbraw/zinc/46/05/00/549460500.db2.gz SOCZPKQHDYWQTF-UWJYYQICSA-N 2 0 327.516 3.022 20 0 EGADRP C[N@H+](Cc1ccc2ccccc2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719841 549547453 /nfs/dbraw/zinc/54/74/53/549547453.db2.gz PJUMGFUJUBNQRE-QFIPXVFZSA-N 2 0 337.511 3.440 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000678773283 549558777 /nfs/dbraw/zinc/55/87/77/549558777.db2.gz WHCWQJVFJAWJJY-CGRMTHRGSA-N 2 0 328.500 3.277 20 0 EGADRP CC[NH+]1CCC([NH2+]CCCc2cccc(Br)c2)CC1 ZINC000678773971 549559187 /nfs/dbraw/zinc/55/91/87/549559187.db2.gz VRCYFCWKAJVMSN-UHFFFAOYSA-N 2 0 325.294 3.456 20 0 EGADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000678775017 549559235 /nfs/dbraw/zinc/55/92/35/549559235.db2.gz XDDXQIVUWJCFAT-KKSFZXQISA-N 2 0 339.483 3.435 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679143048 549644198 /nfs/dbraw/zinc/64/41/98/549644198.db2.gz OWVGQXMQGDCXDV-FUHWJXTLSA-N 2 0 333.545 3.438 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4c(Cl)cccc43)C2)CC1 ZINC000680465028 549868294 /nfs/dbraw/zinc/86/82/94/549868294.db2.gz NKESYNYNZCUCIE-FOIQADDNSA-N 2 0 347.934 3.476 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000681137472 549959469 /nfs/dbraw/zinc/95/94/69/549959469.db2.gz PDZGZQGHKCXCIC-IBGZPJMESA-N 2 0 329.532 3.296 20 0 EGADRP C[C@H]1C[NH+](CCCCNc2cc[nH+]c3c(O)cccc23)C[C@H](C)O1 ZINC000682241116 550085525 /nfs/dbraw/zinc/08/55/25/550085525.db2.gz LQLYMERGOBCYKI-GJZGRUSLSA-N 2 0 329.444 3.242 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683769876 550259678 /nfs/dbraw/zinc/25/96/78/550259678.db2.gz FOFWJMUASNQWNZ-UWJYYQICSA-N 2 0 341.499 3.461 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930768 550274901 /nfs/dbraw/zinc/27/49/01/550274901.db2.gz YTCWSOOGTGMFIC-NRFANRHFSA-N 2 0 349.478 3.414 20 0 EGADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000684826593 550374035 /nfs/dbraw/zinc/37/40/35/550374035.db2.gz ZRJWFDKRFDFNGP-HXUWFJFHSA-N 2 0 345.531 3.473 20 0 EGADRP C[N@H+](C/C=C\c1ccc(F)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457216 550419176 /nfs/dbraw/zinc/41/91/76/550419176.db2.gz LNRZMXLEHITBSQ-DDKKJVIOSA-N 2 0 349.469 3.078 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470398 550421022 /nfs/dbraw/zinc/42/10/22/550421022.db2.gz LJCVQAGQYJHYBI-KXBFYZLASA-N 2 0 346.906 3.357 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000681738561 576178863 /nfs/dbraw/zinc/17/88/63/576178863.db2.gz BLZVOANVVVWKFT-FQEVSTJZSA-N 2 0 329.532 3.452 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000742794233 576795611 /nfs/dbraw/zinc/79/56/11/576795611.db2.gz VIDPMCYMVINIIM-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1Br ZINC000719460091 1298316830 /nfs/dbraw/zinc/31/68/30/1298316830.db2.gz GBHHWVTVPLDIBE-SNVBAGLBSA-N 2 0 328.641 3.477 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000693032614 1298149210 /nfs/dbraw/zinc/14/92/10/1298149210.db2.gz VQQHRCYBRGVJTO-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4ccccc4c3)cn2)CC1 ZINC000030660843 1291353194 /nfs/dbraw/zinc/35/31/94/1291353194.db2.gz BDKKFGMBFLAPKR-UHFFFAOYSA-N 2 0 346.478 3.276 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)s3)cc2)CC1 ZINC000061070011 1291959008 /nfs/dbraw/zinc/95/90/08/1291959008.db2.gz GHBGLECHNGINJZ-UHFFFAOYSA-N 2 0 343.540 3.484 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cccc(F)c2)CC1 ZINC000061070318 1291959427 /nfs/dbraw/zinc/95/94/27/1291959427.db2.gz MECUJVRADAZPLV-UHFFFAOYSA-N 2 0 341.474 3.253 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)cc3)cc2)CC1 ZINC000061070149 1291959599 /nfs/dbraw/zinc/95/95/99/1291959599.db2.gz DFXWDDULEUXTKI-UHFFFAOYSA-N 2 0 337.511 3.422 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000066395005 1292114255 /nfs/dbraw/zinc/11/42/55/1292114255.db2.gz SJWBXDVMFNWZLV-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000069445791 1292243595 /nfs/dbraw/zinc/24/35/95/1292243595.db2.gz LFOMWWSTGVOHFY-HXUWFJFHSA-N 2 0 343.515 3.163 20 0 EGADRP CC(C)CCOc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000079121763 1292543236 /nfs/dbraw/zinc/54/32/36/1292543236.db2.gz FKVNZDPAOPNDHC-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccccc1I ZINC000843343398 1321502975 /nfs/dbraw/zinc/50/29/75/1321502975.db2.gz SUKVUVULPRRJCZ-LBPRGKRZSA-N 2 0 346.256 3.461 20 0 EGADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC000830974020 1292793462 /nfs/dbraw/zinc/79/34/62/1292793462.db2.gz CNGCJVYJJJHJIW-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831089376 1292807528 /nfs/dbraw/zinc/80/75/28/1292807528.db2.gz ZWIVHNFMOUQXPA-ACBHZAAOSA-N 2 0 335.536 3.197 20 0 EGADRP [NH3+]CCCCCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000831481745 1292869578 /nfs/dbraw/zinc/86/95/78/1292869578.db2.gz UOTWIVJHKQCXRQ-UHFFFAOYSA-N 2 0 343.515 3.020 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)c1 ZINC000105448968 1293036360 /nfs/dbraw/zinc/03/63/60/1293036360.db2.gz CHCKWGBVFZHEMR-UHFFFAOYSA-N 2 0 349.482 3.224 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000105448970 1293037364 /nfs/dbraw/zinc/03/73/64/1293037364.db2.gz QBDJHOWEVIKHRN-UHFFFAOYSA-N 2 0 349.482 3.224 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000105464974 1293039904 /nfs/dbraw/zinc/03/99/04/1293039904.db2.gz OMLJWSOQRFJXJT-LBPRGKRZSA-N 2 0 349.828 3.084 20 0 EGADRP CC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000107035278 1293058140 /nfs/dbraw/zinc/05/81/40/1293058140.db2.gz CIEPGEZRLXKRJL-CQSZACIVSA-N 2 0 336.911 3.255 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccco1 ZINC000834501519 1293107293 /nfs/dbraw/zinc/10/72/93/1293107293.db2.gz BVCYPRBGUJZBKC-YSTOQKLRSA-N 2 0 340.467 3.346 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834530051 1293111652 /nfs/dbraw/zinc/11/16/52/1293111652.db2.gz AAWNIIDUKTURCJ-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[C@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[NH+]1CCCCC1 ZINC000834795942 1293150690 /nfs/dbraw/zinc/15/06/90/1293150690.db2.gz NOSDGWWTFPGSLJ-QPIRBTGLSA-N 2 0 335.536 3.020 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC2(CO)CC2)cc1C[NH+]1CCCCC1 ZINC000834895365 1293167661 /nfs/dbraw/zinc/16/76/61/1293167661.db2.gz BDDQETHAMVUTPQ-QGZVFWFLSA-N 2 0 346.515 3.494 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000119356162 1293266467 /nfs/dbraw/zinc/26/64/67/1293266467.db2.gz UZYMFCLKTSDVKF-QGZVFWFLSA-N 2 0 335.879 3.335 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C[NH+]1CCCCC1 ZINC000121112581 1293356617 /nfs/dbraw/zinc/35/66/17/1293356617.db2.gz JSGGHGBBATYRKW-NQIIRXRSSA-N 2 0 346.515 3.456 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000121584768 1293378978 /nfs/dbraw/zinc/37/89/78/1293378978.db2.gz KHVFBIRATBBRJS-DLBZAZTESA-N 2 0 334.504 3.346 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000121810064 1293391226 /nfs/dbraw/zinc/39/12/26/1293391226.db2.gz REUSFDFYUYGFIG-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@H](C)C1 ZINC000122735534 1293423238 /nfs/dbraw/zinc/42/32/38/1293423238.db2.gz FTYDOLAHTVJRDN-WBVHZDCISA-N 2 0 339.911 3.004 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)cn1 ZINC000126416450 1293533520 /nfs/dbraw/zinc/53/35/20/1293533520.db2.gz FYONAXMJYMDKGT-GFCCVEGCSA-N 2 0 327.819 3.475 20 0 EGADRP CNC(=O)c1ccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000131088427 1293679029 /nfs/dbraw/zinc/67/90/29/1293679029.db2.gz NVCXSPCGPCMMTP-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000136210283 1293813273 /nfs/dbraw/zinc/81/32/73/1293813273.db2.gz HBIYVSHYDUUSEE-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CCCC[N@H+](C)CC1CCN(Cn2c3cc(C)ccc3oc2=O)CC1 ZINC000151804579 1293938988 /nfs/dbraw/zinc/93/89/88/1293938988.db2.gz YGJCYCBOEFTLNA-UHFFFAOYSA-N 2 0 345.487 3.304 20 0 EGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000160500816 1294269848 /nfs/dbraw/zinc/26/98/48/1294269848.db2.gz AYUVVWDJWZOGIB-BFYDXBDKSA-N 2 0 339.524 3.237 20 0 EGADRP CCC(CC)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000166747897 1294363957 /nfs/dbraw/zinc/36/39/57/1294363957.db2.gz MEMRNILLPARQPZ-JKSUJKDBSA-N 2 0 339.524 3.286 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000173343752 1294460099 /nfs/dbraw/zinc/46/00/99/1294460099.db2.gz SRFKIOPTNFLZIG-SJORKVTESA-N 2 0 339.524 3.145 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCN2CCCC2)cc1C[NH+]1CCCCC1 ZINC000182226067 1295028396 /nfs/dbraw/zinc/02/83/96/1295028396.db2.gz VOORDVSBAXUJQP-SFHVURJKSA-N 2 0 345.531 3.428 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@H](C)C1 ZINC000187757118 1295414759 /nfs/dbraw/zinc/41/47/59/1295414759.db2.gz XODGPPFZEBTFDJ-WCXIOVBPSA-N 2 0 339.524 3.094 20 0 EGADRP C([NH2+]C1CCC2(CC1)OCCO2)C1([NH+]2CCCCC2)CCCCC1 ZINC000192908224 1295812738 /nfs/dbraw/zinc/81/27/38/1295812738.db2.gz AYWREEYBENOJMY-UHFFFAOYSA-N 2 0 336.520 3.451 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[NH2+]CC1CC1 ZINC000870868020 1296121201 /nfs/dbraw/zinc/12/12/01/1296121201.db2.gz YWOQVNRLTFJMES-QGZVFWFLSA-N 2 0 343.515 3.067 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000236634369 1296193271 /nfs/dbraw/zinc/19/32/71/1296193271.db2.gz AADBJSBJRHUVRQ-WOJBJXKFSA-N 2 0 343.515 3.052 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000236704393 1296197561 /nfs/dbraw/zinc/19/75/61/1296197561.db2.gz NGVQUHUEFHLNNM-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCCC[NH3+] ZINC000237342776 1296237248 /nfs/dbraw/zinc/23/72/48/1296237248.db2.gz WGSOCVRXRGEMIP-QGZVFWFLSA-N 2 0 331.504 3.196 20 0 EGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000237393346 1296241306 /nfs/dbraw/zinc/24/13/06/1296241306.db2.gz CURIIUZEEICXFL-MRXNPFEDSA-N 2 0 342.487 3.054 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)C1 ZINC000237502910 1296248511 /nfs/dbraw/zinc/24/85/11/1296248511.db2.gz CCVXHMPOCNNLTF-KRWDZBQOSA-N 2 0 331.504 3.054 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnn(C)c2)C1 ZINC000237708612 1296257879 /nfs/dbraw/zinc/25/78/79/1296257879.db2.gz LEAFTYSSUHIHBE-IRXDYDNUSA-N 2 0 326.488 3.188 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnn(C)c3)cc2)C1 ZINC000237710151 1296260538 /nfs/dbraw/zinc/26/05/38/1296260538.db2.gz SAAACAHHOULGOQ-IRXDYDNUSA-N 2 0 326.488 3.188 20 0 EGADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000245710762 1296321131 /nfs/dbraw/zinc/32/11/31/1296321131.db2.gz STTBISYHYSNAII-GPMSIDNRSA-N 2 0 346.471 3.383 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000246012345 1296335105 /nfs/dbraw/zinc/33/51/05/1296335105.db2.gz TZAZHLLULQESLP-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246597861 1296362772 /nfs/dbraw/zinc/36/27/72/1296362772.db2.gz ZYPQUBDBLNGKMF-CABCVRRESA-N 2 0 328.378 3.344 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248584282 1296420901 /nfs/dbraw/zinc/42/09/01/1296420901.db2.gz PMJZVDIELTZMNA-ZBQZNYHESA-N 2 0 338.442 3.241 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871885089 1296593799 /nfs/dbraw/zinc/59/37/99/1296593799.db2.gz PLCWSRPAJCXPFV-HXUWFJFHSA-N 2 0 343.515 3.200 20 0 EGADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261798414 1296603418 /nfs/dbraw/zinc/60/34/18/1296603418.db2.gz ZRTBANGWMFZKJH-VAMGGRTRSA-N 2 0 331.504 3.350 20 0 EGADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000262016215 1296614512 /nfs/dbraw/zinc/61/45/12/1296614512.db2.gz FVHUEMIEFKYXNC-INIZCTEOSA-N 2 0 343.471 3.028 20 0 EGADRP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000261993774 1296615437 /nfs/dbraw/zinc/61/54/37/1296615437.db2.gz MZDCDCIFABJNCJ-MRXNPFEDSA-N 2 0 331.504 3.460 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000872282267 1296893529 /nfs/dbraw/zinc/89/35/29/1296893529.db2.gz FYVCJERGQSUVLL-GBESFXJTSA-N 2 0 335.536 3.009 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)ccc1F ZINC000304689796 1296934724 /nfs/dbraw/zinc/93/47/24/1296934724.db2.gz CFOAAXHYTZXZGT-UHFFFAOYSA-N 2 0 342.458 3.381 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)Cn1ccc(-c2cccc(F)c2)n1 ZINC000872592563 1297018891 /nfs/dbraw/zinc/01/88/91/1297018891.db2.gz OTWHQKFSTQWENA-UHFFFAOYSA-N 2 0 327.407 3.174 20 0 EGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000309949616 1297080645 /nfs/dbraw/zinc/08/06/45/1297080645.db2.gz XNZWSUCJCTWJTH-SJORKVTESA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000310045489 1297082562 /nfs/dbraw/zinc/08/25/62/1297082562.db2.gz ZEWYUGNIPLLWDQ-DLBZAZTESA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@]1(C[NH2+]C[C@H](O)c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000310881033 1297102148 /nfs/dbraw/zinc/10/21/48/1297102148.db2.gz IEIOFCRLZMQKKG-SFTDATJTSA-N 2 0 342.458 3.361 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000320808183 1297171239 /nfs/dbraw/zinc/17/12/39/1297171239.db2.gz WTGUFJLPRKLZCN-XJKSGUPXSA-N 2 0 330.394 3.059 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000325389844 1297224386 /nfs/dbraw/zinc/22/43/86/1297224386.db2.gz ZLXPBTUESSNGLG-SJLPKXTDSA-N 2 0 329.488 3.247 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873223449 1297363686 /nfs/dbraw/zinc/36/36/86/1297363686.db2.gz NPRKGIRRJNCHKA-HNNXBMFYSA-N 2 0 326.488 3.026 20 0 EGADRP COCCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000873254178 1297391214 /nfs/dbraw/zinc/39/12/14/1297391214.db2.gz MRLXYNRDRQERJP-UHOFOFEASA-N 2 0 341.293 3.244 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000873258142 1297392883 /nfs/dbraw/zinc/39/28/83/1297392883.db2.gz XGGSCRBENXRIQD-BXGCZWRVSA-N 2 0 329.669 3.417 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873261946 1297395928 /nfs/dbraw/zinc/39/59/28/1297395928.db2.gz UEVQRJOZNYDNKO-STNJDDFNSA-N 2 0 342.483 3.288 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000873289282 1297410848 /nfs/dbraw/zinc/41/08/48/1297410848.db2.gz GJFWRPHBZKUFBF-TZMCWYRMSA-N 2 0 326.843 3.288 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873291427 1297412815 /nfs/dbraw/zinc/41/28/15/1297412815.db2.gz GQZMVEHJHNZUDI-HKUYNNGSSA-N 2 0 348.918 3.409 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291471 1297413007 /nfs/dbraw/zinc/41/30/07/1297413007.db2.gz WFUCKXODYWDVQK-LPHOPBHVSA-N 2 0 332.488 3.283 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000873293599 1297415482 /nfs/dbraw/zinc/41/54/82/1297415482.db2.gz NMEOMXPJRMNPOH-CEXWTWQISA-N 2 0 328.500 3.317 20 0 EGADRP C[C@H](CC[NH2+]C[C@H](O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000379621070 1297536458 /nfs/dbraw/zinc/53/64/58/1297536458.db2.gz DWUJDHSECWWRAP-UTKZUKDTSA-N 2 0 337.467 3.092 20 0 EGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379635187 1297536638 /nfs/dbraw/zinc/53/66/38/1297536638.db2.gz QLMUNTVGXLWJGF-OXJNMPFZSA-N 2 0 330.447 3.359 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000396466145 1297688790 /nfs/dbraw/zinc/68/87/90/1297688790.db2.gz SWJLLAHKMRLEHD-JKSUJKDBSA-N 2 0 341.540 3.390 20 0 EGADRP CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000699595023 1298170604 /nfs/dbraw/zinc/17/06/04/1298170604.db2.gz NFRZQHOCXSBPNZ-CVEARBPZSA-N 2 0 337.508 3.040 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000700799541 1298179413 /nfs/dbraw/zinc/17/94/13/1298179413.db2.gz ITCAGAQIHUPHFD-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000704001505 1298204309 /nfs/dbraw/zinc/20/43/09/1298204309.db2.gz MFHBMOPSVOPFLU-WBVHZDCISA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]1C[C@H](N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000709341864 1298247907 /nfs/dbraw/zinc/24/79/07/1298247907.db2.gz GQYHBKFYMHBOFX-MNXAEDQJSA-N 2 0 327.516 3.158 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000709648337 1298249619 /nfs/dbraw/zinc/24/96/19/1298249619.db2.gz ZRJRWHNHXGVFAQ-AQNXPRMDSA-N 2 0 343.515 3.065 20 0 EGADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1ncc(Br)s1 ZINC000714067752 1298271213 /nfs/dbraw/zinc/27/12/13/1298271213.db2.gz MYZJJYJMFPDWDR-JTQLQIEISA-N 2 0 343.294 3.307 20 0 EGADRP CN(Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1)C(=O)OC(C)(C)C ZINC000724069249 1298347549 /nfs/dbraw/zinc/34/75/49/1298347549.db2.gz PBRZTNOXRLPFQP-CRAIPNDOSA-N 2 0 347.503 3.271 20 0 EGADRP COc1ccc2cc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)ccc2c1 ZINC000876907617 1299061349 /nfs/dbraw/zinc/06/13/49/1299061349.db2.gz CQTFNLMCARWVEI-UHFFFAOYSA-N 2 0 342.483 3.173 20 0 EGADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000876949228 1299083457 /nfs/dbraw/zinc/08/34/57/1299083457.db2.gz OZYAFRXECDELDQ-HMXCVIKNSA-N 2 0 327.516 3.284 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877154475 1299185688 /nfs/dbraw/zinc/18/56/88/1299185688.db2.gz RCAHQSQCYGPSOX-QFUCXCTJSA-N 2 0 327.516 3.428 20 0 EGADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000877267505 1299228042 /nfs/dbraw/zinc/22/80/42/1299228042.db2.gz XDBYJJTYZHSKJI-YLJYHZDGSA-N 2 0 345.531 3.149 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](Cc3cccc(OC(C)(C)C)c3)CC2)CC1 ZINC000877747286 1299526135 /nfs/dbraw/zinc/52/61/35/1299526135.db2.gz YLFVRZDHMNCPNX-UHFFFAOYSA-N 2 0 345.531 3.076 20 0 EGADRP CN(C)C(=O)Sc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000752281425 1299717169 /nfs/dbraw/zinc/71/71/69/1299717169.db2.gz LNZAYIGDACWDAD-UHFFFAOYSA-N 2 0 335.517 3.234 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878049066 1299725293 /nfs/dbraw/zinc/72/52/93/1299725293.db2.gz YDJLTRUZFWYSMD-IBGZPJMESA-N 2 0 338.536 3.014 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)c1ccc(F)cc1Cl)CC2 ZINC000879250596 1300454571 /nfs/dbraw/zinc/45/45/71/1300454571.db2.gz WRJCLUMATUNIEA-KRWDZBQOSA-N 2 0 340.870 3.320 20 0 EGADRP CCn1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(-c2ccccc2)n1 ZINC000882941018 1302173503 /nfs/dbraw/zinc/17/35/03/1302173503.db2.gz GAIXSAPUQVHKRB-QGZVFWFLSA-N 2 0 326.488 3.390 20 0 EGADRP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000765256083 1302231710 /nfs/dbraw/zinc/23/17/10/1302231710.db2.gz STOFEAYJKYCWRI-GOSISDBHSA-N 2 0 347.522 3.297 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765351693 1302250942 /nfs/dbraw/zinc/25/09/42/1302250942.db2.gz SFRWRPVSHIKKEV-HUUCEWRRSA-N 2 0 331.460 3.024 20 0 EGADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CCCC1 ZINC000766334047 1302432361 /nfs/dbraw/zinc/43/23/61/1302432361.db2.gz VUKXTUVKWSQHPO-CVEARBPZSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000884207022 1302772111 /nfs/dbraw/zinc/77/21/11/1302772111.db2.gz KNRKNXOSVKCFMR-SFHVURJKSA-N 2 0 349.544 3.116 20 0 EGADRP C[C@@H]([NH2+]C1CC(C(F)F)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000768691866 1302961341 /nfs/dbraw/zinc/96/13/41/1302961341.db2.gz ZLPYAIWMKNHAHE-DNOWBOINSA-N 2 0 341.421 3.272 20 0 EGADRP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000885920755 1303276201 /nfs/dbraw/zinc/27/62/01/1303276201.db2.gz FYEUJWFYJUTMSK-GOSISDBHSA-N 2 0 338.499 3.371 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000886022602 1303321786 /nfs/dbraw/zinc/32/17/86/1303321786.db2.gz GXCIRQYNHLQPEL-KGETVQGISA-N 2 0 332.463 3.196 20 0 EGADRP C[NH+](C[C@@H]1CCCOC1)[C@H]1CC[C@H]([N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000886392092 1303454372 /nfs/dbraw/zinc/45/43/72/1303454372.db2.gz UJXZYFUKEQUDJO-SOIMTFEMSA-N 2 0 338.536 3.014 20 0 EGADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886529096 1303488604 /nfs/dbraw/zinc/48/86/04/1303488604.db2.gz WJWXXFQPTCAQNJ-BHASAWDCSA-N 2 0 335.536 3.020 20 0 EGADRP CCC1([NH+]2CCC2)CCN([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000886707883 1303572893 /nfs/dbraw/zinc/57/28/93/1303572893.db2.gz VOOWUHJIKPHHKG-KSZLIROESA-N 2 0 335.536 3.115 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000886964768 1303646315 /nfs/dbraw/zinc/64/63/15/1303646315.db2.gz FZRAXELGMLQTSU-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CC2)cc1C[NH+]1CCCCC1 ZINC000775414733 1303960834 /nfs/dbraw/zinc/96/08/34/1303960834.db2.gz ITDWVOYAJISDNF-UZLBHIALSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@H]1C[C@H](Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC[N@@H+]1C ZINC000777648999 1304329988 /nfs/dbraw/zinc/32/99/88/1304329988.db2.gz BIQZDOFRSAWQFN-DZGCQCFKSA-N 2 0 325.884 3.175 20 0 EGADRP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000779439567 1304571977 /nfs/dbraw/zinc/57/19/77/1304571977.db2.gz NXLSLBWBEVSRCY-AKHDSKFASA-N 2 0 326.440 3.098 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CN2C[C@](C)(C3CCCC3)CC2=O)CC1 ZINC000780438016 1304691867 /nfs/dbraw/zinc/69/18/67/1304691867.db2.gz NJRCNFWLALFQST-OAQYLSRUSA-N 2 0 349.563 3.427 20 0 EGADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000783242763 1305070292 /nfs/dbraw/zinc/07/02/92/1305070292.db2.gz HWGBILPWMIFDQQ-CJNGLKHVSA-N 2 0 341.421 3.345 20 0 EGADRP CCC(CC)(CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000891550431 1305088233 /nfs/dbraw/zinc/08/82/33/1305088233.db2.gz VFYKRMHXJFCORJ-LZLYRXPVSA-N 2 0 346.519 3.027 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891670638 1305130464 /nfs/dbraw/zinc/13/04/64/1305130464.db2.gz ILUCXZGZAZSOBX-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(O)c(F)c2)CC1 ZINC000892146637 1305267559 /nfs/dbraw/zinc/26/75/59/1305267559.db2.gz XWEYVLWUBOIDKN-UHFFFAOYSA-N 2 0 338.467 3.102 20 0 EGADRP Cc1nccn1CCC[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000892621072 1305473584 /nfs/dbraw/zinc/47/35/84/1305473584.db2.gz DOTRHGDLZKGNJB-UHFFFAOYSA-N 2 0 327.350 3.313 20 0 EGADRP Cc1cc(F)ncc1C[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000892677019 1305501905 /nfs/dbraw/zinc/50/19/05/1305501905.db2.gz SNIUAOBJDLKHTE-MRXNPFEDSA-N 2 0 343.446 3.040 20 0 EGADRP Cn1ncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1C1CC1 ZINC000892752467 1305540358 /nfs/dbraw/zinc/54/03/58/1305540358.db2.gz KWTGMEIWSXIKDB-UHFFFAOYSA-N 2 0 344.528 3.361 20 0 EGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCNC2=O)cc1 ZINC000786829643 1305636585 /nfs/dbraw/zinc/63/65/85/1305636585.db2.gz LZZMNNQIIZOFMQ-QAPCUYQASA-N 2 0 346.519 3.233 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnn(C)c3C3CC3)CC2)CC1 ZINC000893188642 1305752520 /nfs/dbraw/zinc/75/25/20/1305752520.db2.gz GIKOGEPTDWHRJC-UHFFFAOYSA-N 2 0 330.520 3.430 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788538983 1305965576 /nfs/dbraw/zinc/96/55/76/1305965576.db2.gz JKYKVMRGWKYDFS-MRXNPFEDSA-N 2 0 343.471 3.359 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788586642 1305976110 /nfs/dbraw/zinc/97/61/10/1305976110.db2.gz FDVWHOCNSLSHDY-AEFFLSMTSA-N 2 0 325.456 3.002 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000893685299 1306027208 /nfs/dbraw/zinc/02/72/08/1306027208.db2.gz LDKFRMUMACRDCE-OAHLLOKOSA-N 2 0 341.421 3.216 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C/C=C/c3cccc(F)c3)CC2)CC1 ZINC000894084554 1306208517 /nfs/dbraw/zinc/20/85/17/1306208517.db2.gz LOSBOBBHGIJSER-GQCTYLIASA-N 2 0 345.506 3.329 20 0 EGADRP c1ncc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)[nH]1 ZINC000894232426 1306292479 /nfs/dbraw/zinc/29/24/79/1306292479.db2.gz XBFLETWHUUFIOE-UHFFFAOYSA-N 2 0 326.488 3.234 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790575706 1306354820 /nfs/dbraw/zinc/35/48/20/1306354820.db2.gz YJXPQGKTLHGCCG-UHFFFAOYSA-N 2 0 346.906 3.406 20 0 EGADRP CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000793330455 1309349939 /nfs/dbraw/zinc/34/99/39/1309349939.db2.gz IZPPVQMYOSGHNC-ZWKOTPCHSA-N 2 0 349.519 3.160 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000895602157 1309424439 /nfs/dbraw/zinc/42/44/39/1309424439.db2.gz ZXYZEMWMYCDERN-IBGZPJMESA-N 2 0 327.472 3.238 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795937261 1309865961 /nfs/dbraw/zinc/86/59/61/1309865961.db2.gz XSPHCDPJJGDVIK-UHFFFAOYSA-N 2 0 338.536 3.267 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000795980865 1309874518 /nfs/dbraw/zinc/87/45/18/1309874518.db2.gz ABJLDHXMKDLWDP-HXUWFJFHSA-N 2 0 344.499 3.031 20 0 EGADRP C[NH+]1CCC2(CCC[N@H+](Cc3occc3Br)C2)CC1 ZINC000798956558 1310463972 /nfs/dbraw/zinc/46/39/72/1310463972.db2.gz CTARNUABWRGZHO-UHFFFAOYSA-N 2 0 327.266 3.350 20 0 EGADRP O[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000898204573 1310626376 /nfs/dbraw/zinc/62/63/76/1310626376.db2.gz WSRHGCZETOWMQT-DOIPELPJSA-N 2 0 328.500 3.038 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000800475169 1310765140 /nfs/dbraw/zinc/76/51/40/1310765140.db2.gz UPDCTOSHUHTDOD-HXUWFJFHSA-N 2 0 328.500 3.447 20 0 EGADRP CN(CCC[NH+]1CCCC1)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857222473 1328524904 /nfs/dbraw/zinc/52/49/04/1328524904.db2.gz STCVGSDJPOMNBI-HXUWFJFHSA-N 2 0 343.515 3.054 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000839180452 1320886867 /nfs/dbraw/zinc/88/68/67/1320886867.db2.gz DEWUZVSQJUQNBI-DLBZAZTESA-N 2 0 329.488 3.196 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857282810 1328526379 /nfs/dbraw/zinc/52/63/79/1328526379.db2.gz IHSALDWGAAUEQA-PMACEKPBSA-N 2 0 343.515 3.051 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CC[NH+](C(C)(C)C)C3)c2)C1 ZINC000857303678 1328527378 /nfs/dbraw/zinc/52/73/78/1328527378.db2.gz KUYOYEHQEOSONX-MOPGFXCFSA-N 2 0 343.515 3.098 20 0 EGADRP CC(C)[NH+](CCNC(=O)c1ccc(C[NH+]2CCCCC2)o1)C(C)C ZINC000929468818 1328605444 /nfs/dbraw/zinc/60/54/44/1328605444.db2.gz LYYMQZLXXGVLAW-UHFFFAOYSA-N 2 0 335.492 3.114 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018931606 1316979056 /nfs/dbraw/zinc/97/90/56/1316979056.db2.gz AOBWZGAZYASVDX-KRWDZBQOSA-N 2 0 349.544 3.194 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001018961485 1316986867 /nfs/dbraw/zinc/98/68/67/1316986867.db2.gz HDOCECLNTJVFJL-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001018967971 1316989648 /nfs/dbraw/zinc/98/96/48/1316989648.db2.gz NTYRLEWXXPPRBG-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP O=C(N1CC[C@H]([NH2+]CC2CCCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001019030311 1317013633 /nfs/dbraw/zinc/01/36/33/1317013633.db2.gz GTYSJKTUWHYRTC-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001019232121 1317114102 /nfs/dbraw/zinc/11/41/02/1317114102.db2.gz JXGBLIIIUJTCCO-RBUKOAKNSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001019241593 1317119131 /nfs/dbraw/zinc/11/91/31/1317119131.db2.gz MAJNVRZQERVKPO-LSTHTHJFSA-N 2 0 343.515 3.156 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001019274799 1317140976 /nfs/dbraw/zinc/14/09/76/1317140976.db2.gz POZYKSXBHFMEKN-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCC2CCCC2)C1 ZINC000957278853 1317256746 /nfs/dbraw/zinc/25/67/46/1317256746.db2.gz QJWARWCGSMNYPR-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900349543 1317279386 /nfs/dbraw/zinc/27/93/86/1317279386.db2.gz BPMSXQUMBSVWPQ-WOJBJXKFSA-N 2 0 341.499 3.280 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001019593032 1317299399 /nfs/dbraw/zinc/29/93/99/1317299399.db2.gz FGOYWJWDKZAHAE-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019632312 1317310489 /nfs/dbraw/zinc/31/04/89/1317310489.db2.gz IIKQDQPCOJFSGL-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019632455 1317311415 /nfs/dbraw/zinc/31/14/15/1317311415.db2.gz NICMBKTWOJKQKG-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C2CC(OCc3ccccc3)C2)C1 ZINC000929762320 1328691879 /nfs/dbraw/zinc/69/18/79/1328691879.db2.gz DWCSGHPOGWEEDU-QNGMFEMESA-N 2 0 328.500 3.398 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000901188639 1317391842 /nfs/dbraw/zinc/39/18/42/1317391842.db2.gz VMQXBTWKIIPZOA-TUNPWDSISA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC(C)(C)C)CC2 ZINC000957517347 1317419856 /nfs/dbraw/zinc/41/98/56/1317419856.db2.gz ONCVSCNVATZTOR-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019820532 1317440338 /nfs/dbraw/zinc/44/03/38/1317440338.db2.gz OHMLDJIPCXJSDW-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957568273 1317465568 /nfs/dbraw/zinc/46/55/68/1317465568.db2.gz GORLODSPNLRSTR-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568564 1317466759 /nfs/dbraw/zinc/46/67/59/1317466759.db2.gz LANGSLWCSZOUFA-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957569167 1317467962 /nfs/dbraw/zinc/46/79/62/1317467962.db2.gz YJNHSNFMPDFMHS-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957606108 1317493585 /nfs/dbraw/zinc/49/35/85/1317493585.db2.gz ZWCJKSSZIFIDSI-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001020151230 1317565224 /nfs/dbraw/zinc/56/52/24/1317565224.db2.gz POYWGWSVACEQOD-WTGUMLROSA-N 2 0 347.547 3.068 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001020152443 1317565743 /nfs/dbraw/zinc/56/57/43/1317565743.db2.gz KQWDHXXHSBFEDA-NZKYNAJMSA-N 2 0 349.563 3.314 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000902347714 1317566499 /nfs/dbraw/zinc/56/64/99/1317566499.db2.gz JNJUTBLUIJNOJT-FQEVSTJZSA-N 3 0 329.532 3.266 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)C1 ZINC000902389233 1317571998 /nfs/dbraw/zinc/57/19/98/1317571998.db2.gz TVVFVTFQYAEAJV-HKUYNNGSSA-N 2 0 328.500 3.448 20 0 EGADRP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cn1 ZINC000902503557 1317584610 /nfs/dbraw/zinc/58/46/10/1317584610.db2.gz SOWIVPNYXLLTMK-BOFPYLFWSA-N 2 0 327.403 3.127 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000957720794 1317588162 /nfs/dbraw/zinc/58/81/62/1317588162.db2.gz XGKYHKOWOKWJMR-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020239146 1317604138 /nfs/dbraw/zinc/60/41/38/1317604138.db2.gz PWLLMQOXLJCWQS-UFYCRDLUSA-N 2 0 349.563 3.457 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001020239870 1317604951 /nfs/dbraw/zinc/60/49/51/1317604951.db2.gz KXKLGUZBZVOGGS-BJLQDIEVSA-N 2 0 347.547 3.211 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000957753610 1317622372 /nfs/dbraw/zinc/62/23/72/1317622372.db2.gz YMBWZXKMFOGGSS-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000902948065 1317632612 /nfs/dbraw/zinc/63/26/12/1317632612.db2.gz OVWBUDQDRBCXIG-PWRODBHTSA-N 2 0 346.515 3.081 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903092457 1317650154 /nfs/dbraw/zinc/65/01/54/1317650154.db2.gz JXMHOQOUVGQCGR-ONQFOCNCSA-N 2 0 349.519 3.133 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020339389 1317651825 /nfs/dbraw/zinc/65/18/25/1317651825.db2.gz NKLKQTCYSNLRMX-UFYCRDLUSA-N 2 0 347.547 3.234 20 0 EGADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1ccc(F)cc1 ZINC000903116282 1317655972 /nfs/dbraw/zinc/65/59/72/1317655972.db2.gz GBPJMZKZYAYGGK-UTBUEMAESA-N 2 0 334.479 3.346 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001020355204 1317656957 /nfs/dbraw/zinc/65/69/57/1317656957.db2.gz RMARSGXQZQWERT-IYARVYRRSA-N 2 0 338.455 3.075 20 0 EGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1c(F)cccc1Cl ZINC000903121498 1317657020 /nfs/dbraw/zinc/65/70/20/1317657020.db2.gz RAVWHKFQBXRBRT-SHBQMWMOSA-N 2 0 338.854 3.260 20 0 EGADRP c1cc2c(cc1CCC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)OCCO2 ZINC000903125308 1317658672 /nfs/dbraw/zinc/65/86/72/1317658672.db2.gz MFKBAFJESDFXGN-JLYLLQBASA-N 2 0 342.483 3.138 20 0 EGADRP COc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)c1 ZINC000903171830 1317667033 /nfs/dbraw/zinc/66/70/33/1317667033.db2.gz KAPCPSKLZXYUOY-JLYLLQBASA-N 2 0 326.484 3.474 20 0 EGADRP C[C@@H](NCc1cc(N(C)C)cc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903198271 1317672073 /nfs/dbraw/zinc/67/20/73/1317672073.db2.gz IEVKZJWZYHNFIN-IEBWSBKVSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@H]1C[C@@H](NCc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000903201950 1317673211 /nfs/dbraw/zinc/67/32/11/1317673211.db2.gz RZIPUCXLPVZJCC-HKUYNNGSSA-N 2 0 338.499 3.290 20 0 EGADRP FC1(F)C[C@@]2(CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)C1(F)F ZINC000903490880 1317706138 /nfs/dbraw/zinc/70/61/38/1317706138.db2.gz LAQWYRRTQULWRN-OAHLLOKOSA-N 2 0 328.353 3.199 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)[NH+]1CCCC1 ZINC001020463426 1317707629 /nfs/dbraw/zinc/70/76/29/1317707629.db2.gz BXFIEKGQYZCQAB-IYARVYRRSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734613 1317727325 /nfs/dbraw/zinc/72/73/25/1317727325.db2.gz SVMTVDZMSMPETP-MNEFBYGVSA-N 2 0 332.463 3.367 20 0 EGADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[C@@H]1c1ccccc1 ZINC000903734950 1317727658 /nfs/dbraw/zinc/72/76/58/1317727658.db2.gz XVMLWJYZSLVEIM-BVOGOJNSSA-N 2 0 328.500 3.271 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)O1 ZINC000903750320 1317729457 /nfs/dbraw/zinc/72/94/57/1317729457.db2.gz XGDBBMMNXVUEBP-QXSJWSMHSA-N 2 0 334.426 3.198 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(F)cccc1Cl ZINC000903758508 1317730494 /nfs/dbraw/zinc/73/04/94/1317730494.db2.gz LIAMLEKPLXEMGP-STQMWFEESA-N 2 0 326.843 3.288 20 0 EGADRP Cc1c(Cl)ccc2c1C[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903782089 1317733145 /nfs/dbraw/zinc/73/31/45/1317733145.db2.gz YSDKEMJAYUSUQA-MRXNPFEDSA-N 2 0 334.891 3.165 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000903793093 1317735503 /nfs/dbraw/zinc/73/55/03/1317735503.db2.gz MSFHVDKOUNHEKJ-IBGZPJMESA-N 2 0 328.500 3.328 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000903794484 1317737051 /nfs/dbraw/zinc/73/70/51/1317737051.db2.gz XARHSTIZLXJWGM-UHFFFAOYSA-N 2 0 348.450 3.229 20 0 EGADRP c1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@@H]3CCC[C@@H]31)C[NH2+]CC2 ZINC000903827822 1317739674 /nfs/dbraw/zinc/73/96/74/1317739674.db2.gz XYXSSPIHRPWSEU-UXHICEINSA-N 2 0 326.484 3.113 20 0 EGADRP FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903909586 1317746776 /nfs/dbraw/zinc/74/67/76/1317746776.db2.gz FYKXHPLAHKETLP-PBNFFQIGSA-N 2 0 342.409 3.139 20 0 EGADRP Cc1cnc(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)s1 ZINC000903909862 1317747818 /nfs/dbraw/zinc/74/78/18/1317747818.db2.gz HHLQLSKLNNLJTL-UHFFFAOYSA-N 2 0 327.497 3.477 20 0 EGADRP C[C@@H]1C[C@H](N(C)C[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000904320962 1317830572 /nfs/dbraw/zinc/83/05/72/1317830572.db2.gz SDWUPRZXHIQVFB-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccc([C@H](CNC[C@@]2(C)CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000904364927 1317837559 /nfs/dbraw/zinc/83/75/59/1317837559.db2.gz UHDNZRKUIXFYLO-SFTDATJTSA-N 2 0 345.531 3.202 20 0 EGADRP C[C@@]1(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904370994 1317837868 /nfs/dbraw/zinc/83/78/68/1317837868.db2.gz GZHXHWAOGXLYSH-HUUCEWRRSA-N 2 0 334.426 3.057 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)C1 ZINC000904372312 1317838058 /nfs/dbraw/zinc/83/80/58/1317838058.db2.gz AWXNGTHRPFPNQL-RHSMWYFYSA-N 2 0 342.405 3.482 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)C1 ZINC000904372313 1317838106 /nfs/dbraw/zinc/83/81/06/1317838106.db2.gz AWXNGTHRPFPNQL-WMLDXEAASA-N 2 0 342.405 3.482 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCN1c1ccccc1 ZINC000904468727 1317852098 /nfs/dbraw/zinc/85/20/98/1317852098.db2.gz FWCHWVYQTWTDLF-HNNXBMFYSA-N 2 0 327.497 3.105 20 0 EGADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000904477058 1317852786 /nfs/dbraw/zinc/85/27/86/1317852786.db2.gz WXOHWOUDUXVFPE-QQTQMKHKSA-N 2 0 330.472 3.037 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccccc1C[NH3+])c1ccccc1 ZINC000904660852 1317877202 /nfs/dbraw/zinc/87/72/02/1317877202.db2.gz UUFXXPJDAPYSJX-OAHLLOKOSA-N 2 0 340.471 3.396 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000904665002 1317879494 /nfs/dbraw/zinc/87/94/94/1317879494.db2.gz KAEWGJNDMSTKMY-UHFFFAOYSA-N 2 0 344.503 3.265 20 0 EGADRP COc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc2c1OCO2 ZINC000809738136 1317883875 /nfs/dbraw/zinc/88/38/75/1317883875.db2.gz QTCCFVJSZUETQX-UHFFFAOYSA-N 2 0 342.439 3.118 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001020719777 1317886029 /nfs/dbraw/zinc/88/60/29/1317886029.db2.gz QLXDISYNNBNROU-WTGUMLROSA-N 2 0 347.547 3.211 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905024033 1317914651 /nfs/dbraw/zinc/91/46/51/1317914651.db2.gz HRZVXTSPIIAZKQ-FQEVSTJZSA-N 2 0 348.531 3.064 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)F ZINC000905044482 1317916446 /nfs/dbraw/zinc/91/64/46/1317916446.db2.gz COXLPYDXYXSTQN-KDOFPFPSSA-N 2 0 326.431 3.167 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001020818016 1317947117 /nfs/dbraw/zinc/94/71/17/1317947117.db2.gz GFDNUADNCXNCOJ-IYWMVGAKSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)c1 ZINC001020818514 1317947166 /nfs/dbraw/zinc/94/71/66/1317947166.db2.gz QIDLUDDDMWIAGR-IHPCNDPISA-N 2 0 343.515 3.025 20 0 EGADRP OCc1cc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000858316668 1328735513 /nfs/dbraw/zinc/73/55/13/1328735513.db2.gz GKLZUTMZGPUKJY-GOSISDBHSA-N 2 0 331.847 3.476 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCc2cn[nH]c2)cc1C[NH+]1CCCCC1 ZINC000810246819 1317985388 /nfs/dbraw/zinc/98/53/88/1317985388.db2.gz FGMKPGMPRWPSPT-MRXNPFEDSA-N 2 0 342.487 3.298 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001021211237 1318142087 /nfs/dbraw/zinc/14/20/87/1318142087.db2.gz RXJWIJAZOJUVDB-NXEWRWPSSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960022007 1318317239 /nfs/dbraw/zinc/31/72/39/1318317239.db2.gz JRWBFTLPEOWECB-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960032746 1318320171 /nfs/dbraw/zinc/32/01/71/1318320171.db2.gz GCGAIVKWBNVJIQ-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960075970 1318340524 /nfs/dbraw/zinc/34/05/24/1318340524.db2.gz DZKDJEIGRCDVDH-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC000908504537 1318356907 /nfs/dbraw/zinc/35/69/07/1318356907.db2.gz DBJIPGVMKBGLJU-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1C)[NH+](C)C ZINC000960137915 1318376930 /nfs/dbraw/zinc/37/69/30/1318376930.db2.gz WYOVULLGKLHJJW-HBFSDRIKSA-N 2 0 345.531 3.367 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC)CC[C@H]32)o1 ZINC001021741972 1318652564 /nfs/dbraw/zinc/65/25/64/1318652564.db2.gz BDANEMDETHTRMA-FUHWJXTLSA-N 2 0 347.503 3.068 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC000960639939 1318758217 /nfs/dbraw/zinc/75/82/17/1318758217.db2.gz DTESZUVKYQGFRA-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1)C1CCC1 ZINC000960667809 1318783626 /nfs/dbraw/zinc/78/36/26/1318783626.db2.gz KPBXOGJYUYEENK-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000814639840 1318791200 /nfs/dbraw/zinc/79/12/00/1318791200.db2.gz GPQZUKVJLPCUGI-UHFFFAOYSA-N 2 0 326.484 3.344 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000960682487 1318791327 /nfs/dbraw/zinc/79/13/27/1318791327.db2.gz PFAZSZKULYCRKA-CTWPCTMYSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001022109913 1318797017 /nfs/dbraw/zinc/79/70/17/1318797017.db2.gz WVWJRVKYQXDFID-ZSYWTGECSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC000960694039 1318797586 /nfs/dbraw/zinc/79/75/86/1318797586.db2.gz WCVQXAXPKDFUHL-IEBWSBKVSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3C)C2)CC[N@@H+]1C ZINC001022109201 1318797713 /nfs/dbraw/zinc/79/77/13/1318797713.db2.gz JOYXPFPPVLFSSD-VBYALHQYSA-N 2 0 343.515 3.023 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001022166440 1318825221 /nfs/dbraw/zinc/82/52/21/1318825221.db2.gz VYJMSYVKZPBKSI-GNBUJSLZSA-N 2 0 343.515 3.167 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)ccc1OC ZINC000858562756 1328795991 /nfs/dbraw/zinc/79/59/91/1328795991.db2.gz MIRAOQSTFHQFSX-OAHLLOKOSA-N 2 0 343.471 3.488 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c(C)c1 ZINC001022434276 1318940412 /nfs/dbraw/zinc/94/04/12/1318940412.db2.gz DGUMCOSBECZYIO-KDURUIRLSA-N 2 0 348.450 3.002 20 0 EGADRP C[N@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000960833919 1318962539 /nfs/dbraw/zinc/96/25/39/1318962539.db2.gz OUGQVKGYDMPLQB-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001022588375 1319005584 /nfs/dbraw/zinc/00/55/84/1319005584.db2.gz GQKJJGGTBSNNDX-LUMWRGHGSA-N 2 0 347.547 3.066 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)c1ccc(Cl)cc1 ZINC001022711681 1319079099 /nfs/dbraw/zinc/07/90/99/1319079099.db2.gz COTSYQCZGCOOQI-DTDBQYNISA-N 2 0 349.906 3.122 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC001022711967 1319079434 /nfs/dbraw/zinc/07/94/34/1319079434.db2.gz HBPJCOGPPBVPPL-ZSYWTGECSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001022807880 1319118936 /nfs/dbraw/zinc/11/89/36/1319118936.db2.gz OKSQDTHUXMHVEW-QRQLOZEOSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001022806792 1319118951 /nfs/dbraw/zinc/11/89/51/1319118951.db2.gz AGCGXAUEXOCRED-FGTMMUONSA-N 2 0 349.544 3.056 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001022838396 1319132635 /nfs/dbraw/zinc/13/26/35/1319132635.db2.gz MUAOQQUTKOJGDC-IYWMVGAKSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001023084498 1319255646 /nfs/dbraw/zinc/25/56/46/1319255646.db2.gz QQBPTJGRGVVWAS-NMLACTOBSA-N 2 0 343.515 3.060 20 0 EGADRP FC(F)(F)SCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817889132 1319451371 /nfs/dbraw/zinc/45/13/71/1319451371.db2.gz MQSSRGCTRDNEPG-GXTWGEPZSA-N 2 0 332.391 3.085 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000817894284 1319453567 /nfs/dbraw/zinc/45/35/67/1319453567.db2.gz CTSVHXMWXBBXRX-WOGUSJMUSA-N 2 0 330.472 3.036 20 0 EGADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@@H](O)c1c(F)cccc1F ZINC000817919544 1319459375 /nfs/dbraw/zinc/45/93/75/1319459375.db2.gz SRPBMLURZYSMSH-JLBUNGTFSA-N 2 0 349.425 3.290 20 0 EGADRP O=C1OCCN1c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000817922125 1319462058 /nfs/dbraw/zinc/46/20/58/1319462058.db2.gz QRRYPSMANKXNRW-IPMKNSEASA-N 2 0 343.471 3.044 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817928273 1319462861 /nfs/dbraw/zinc/46/28/61/1319462861.db2.gz ZKYJMDZSEVFARU-CSMYWGQOSA-N 2 0 328.859 3.413 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000817945776 1319472356 /nfs/dbraw/zinc/47/23/56/1319472356.db2.gz LQQFNLWHKBQFIE-IAGOWNOFSA-N 2 0 333.520 3.187 20 0 EGADRP COc1ccc([C@@H](C)NCC2([NH3+])CCC2)cc1C[NH+]1CCCCC1 ZINC000817965588 1319479285 /nfs/dbraw/zinc/47/92/85/1319479285.db2.gz YACSNGGQMNHLGF-MRXNPFEDSA-N 2 0 331.504 3.213 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817968696 1319481125 /nfs/dbraw/zinc/48/11/25/1319481125.db2.gz WBFPXGINLMZLCZ-KRWDZBQOSA-N 3 0 343.515 3.251 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1C[NH+]1CCCCC1 ZINC000817983078 1319485906 /nfs/dbraw/zinc/48/59/06/1319485906.db2.gz YAENDPSKDCOBDC-QKLQHJQFSA-N 3 0 345.531 3.459 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000817987182 1319486990 /nfs/dbraw/zinc/48/69/90/1319486990.db2.gz XLBGCCBUNTXZJK-WBVHZDCISA-N 2 0 327.472 3.139 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000817984898 1319487187 /nfs/dbraw/zinc/48/71/87/1319487187.db2.gz BTSRKHGINBCPNA-NVXWUHKLSA-N 2 0 343.471 3.359 20 0 EGADRP C/C(=C\C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000818013685 1319491694 /nfs/dbraw/zinc/49/16/94/1319491694.db2.gz FIGDPTYINWNQKV-SAPNQHFASA-N 2 0 343.515 3.089 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961363894 1319521337 /nfs/dbraw/zinc/52/13/37/1319521337.db2.gz CDJIEYGXHOHBJS-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000818340655 1319530548 /nfs/dbraw/zinc/53/05/48/1319530548.db2.gz PLXWWFIHPVLWBO-INIZCTEOSA-N 2 0 337.467 3.242 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961400269 1319555641 /nfs/dbraw/zinc/55/56/41/1319555641.db2.gz FZASSUUUNTYNSY-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000961410710 1319567450 /nfs/dbraw/zinc/56/74/50/1319567450.db2.gz CUUYVANVGYLIEE-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000818943688 1319583326 /nfs/dbraw/zinc/58/33/26/1319583326.db2.gz XQWGJJYQTHSNCD-HXUWFJFHSA-N 2 0 346.421 3.384 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961434352 1319587410 /nfs/dbraw/zinc/58/74/10/1319587410.db2.gz FJMQSRMMBRDQFR-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000818962735 1319593558 /nfs/dbraw/zinc/59/35/58/1319593558.db2.gz XDSQXLBLCRXZBG-FQEVSTJZSA-N 2 0 330.447 3.489 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961440222 1319593820 /nfs/dbraw/zinc/59/38/20/1319593820.db2.gz KTSASIIECAEPOZ-AZUAARDMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c1 ZINC000818970972 1319596269 /nfs/dbraw/zinc/59/62/69/1319596269.db2.gz RCRALQLDUXMQGA-LJQANCHMSA-N 2 0 334.410 3.240 20 0 EGADRP CC[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819077606 1319629582 /nfs/dbraw/zinc/62/95/82/1319629582.db2.gz BLGUPRJJLCDDCR-XJKSGUPXSA-N 2 0 331.287 3.491 20 0 EGADRP CC(C)(C)[NH2+]CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000930397820 1328848460 /nfs/dbraw/zinc/84/84/60/1328848460.db2.gz QOQXMDSPTVNTQM-UHFFFAOYSA-N 2 0 331.504 3.432 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000917394905 1319799203 /nfs/dbraw/zinc/79/92/03/1319799203.db2.gz WMTXIEYSRXQBIZ-LJQANCHMSA-N 2 0 337.511 3.469 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001023749970 1319894332 /nfs/dbraw/zinc/89/43/32/1319894332.db2.gz DLRQTPDUDIFVCO-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000820806356 1319955439 /nfs/dbraw/zinc/95/54/39/1319955439.db2.gz GBQSPTVGGIPQHW-MGPUTAFESA-N 2 0 328.456 3.141 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822838741 1320128024 /nfs/dbraw/zinc/12/80/24/1320128024.db2.gz CJWHTTGXALGVGN-MRXNPFEDSA-N 2 0 346.519 3.033 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000822920406 1320136838 /nfs/dbraw/zinc/13/68/38/1320136838.db2.gz UWBQKWVVWKCKIM-INIZCTEOSA-N 2 0 344.459 3.272 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823736680 1320202262 /nfs/dbraw/zinc/20/22/62/1320202262.db2.gz KNUWEOBXLDWEQH-DLBZAZTESA-N 2 0 341.540 3.105 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000859155669 1328933496 /nfs/dbraw/zinc/93/34/96/1328933496.db2.gz ODAJWYZMPTTXAE-DOTOQJQBSA-N 2 0 339.524 3.048 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)ccc1OC ZINC000840890039 1321170972 /nfs/dbraw/zinc/17/09/72/1321170972.db2.gz KZNZJBBINJKPRD-HOTGVXAUSA-N 2 0 349.519 3.101 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)ccc1OC ZINC000840890043 1321171066 /nfs/dbraw/zinc/17/10/66/1321171066.db2.gz KZNZJBBINJKPRD-JKSUJKDBSA-N 2 0 349.519 3.101 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c(C)c1 ZINC000841031896 1321204508 /nfs/dbraw/zinc/20/45/08/1321204508.db2.gz ANRUZORRZUHNLW-QGZVFWFLSA-N 2 0 339.483 3.312 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841037468 1321206273 /nfs/dbraw/zinc/20/62/73/1321206273.db2.gz TVDZSRLUQJMKSQ-MRXNPFEDSA-N 2 0 346.906 3.291 20 0 EGADRP Cc1ccc(-n2c(Cl)c(C[NH2+][C@@H](C)CCC[NH3+])nc2N(C)C)cc1 ZINC000841081783 1321215093 /nfs/dbraw/zinc/21/50/93/1321215093.db2.gz YOVAXOQRUQZFDX-AWEZNQCLSA-N 2 0 349.910 3.117 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1C ZINC000842474128 1321393266 /nfs/dbraw/zinc/39/32/66/1321393266.db2.gz GBRJDTHWXKZNRL-APWZRJJASA-N 2 0 340.467 3.374 20 0 EGADRP [NH3+]CCCCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000842570532 1321402027 /nfs/dbraw/zinc/40/20/27/1321402027.db2.gz JBCSKXDGQKGUNU-UHFFFAOYSA-N 2 0 328.460 3.394 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000843047371 1321460970 /nfs/dbraw/zinc/46/09/70/1321460970.db2.gz NHGOBYDXUIFLRU-UHFFFAOYSA-N 2 0 346.906 3.372 20 0 EGADRP C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CCC([NH3+])CC1 ZINC000843054782 1321462726 /nfs/dbraw/zinc/46/27/26/1321462726.db2.gz HOQUNWVXSWCQGL-UHFFFAOYSA-N 2 0 345.468 3.241 20 0 EGADRP O[C@@H](C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000843066741 1321465175 /nfs/dbraw/zinc/46/51/75/1321465175.db2.gz UBMZRGUTIQQLMC-ROUUACIJSA-N 2 0 330.497 3.283 20 0 EGADRP C[NH2+]CCCc1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000843200026 1321486915 /nfs/dbraw/zinc/48/69/15/1321486915.db2.gz HFDCLJUXTBAUAD-UHFFFAOYSA-N 2 0 328.460 3.121 20 0 EGADRP C[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000845924488 1321754167 /nfs/dbraw/zinc/75/41/67/1321754167.db2.gz LJHIDNYTPCDLDC-KLAILNCOSA-N 2 0 339.524 3.001 20 0 EGADRP CC[C@@H](C)[N@H+](CCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000846218423 1321777336 /nfs/dbraw/zinc/77/73/36/1321777336.db2.gz UQMAFPDJSVJDNP-OAHLLOKOSA-N 2 0 330.476 3.455 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000846224836 1321777500 /nfs/dbraw/zinc/77/75/00/1321777500.db2.gz AVYDQODZNHCXEU-HNNXBMFYSA-N 2 0 331.504 3.372 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849050914 1322059089 /nfs/dbraw/zinc/05/90/89/1322059089.db2.gz OBQDCSBZDJSEPF-HNNXBMFYSA-N 2 0 342.409 3.194 20 0 EGADRP [NH2+]=C(NCCc1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849057058 1322061270 /nfs/dbraw/zinc/06/12/70/1322061270.db2.gz QYZDLYGSQFOYDR-UHFFFAOYSA-N 2 0 342.512 3.069 20 0 EGADRP CC(C)[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCC(C)CC1 ZINC000849058473 1322062156 /nfs/dbraw/zinc/06/21/56/1322062156.db2.gz BHYNJAWZFRBMNT-IBGZPJMESA-N 2 0 330.520 3.100 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000849064578 1322064544 /nfs/dbraw/zinc/06/45/44/1322064544.db2.gz NXEMWENGTBYFMC-IAGOWNOFSA-N 2 0 330.520 3.365 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=[NH2+])N2CCCCC2)c2ccccc2)CC1 ZINC000849065110 1322064656 /nfs/dbraw/zinc/06/46/56/1322064656.db2.gz PGYIGJGRALKVHH-LJQANCHMSA-N 2 0 328.504 3.470 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC2CC[NH+](CC)CC2)c1 ZINC000849065464 1322064670 /nfs/dbraw/zinc/06/46/70/1322064670.db2.gz JAMJLTJPDYISAF-UHFFFAOYSA-N 2 0 348.491 3.152 20 0 EGADRP C[N@H+](CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC000849083893 1322071810 /nfs/dbraw/zinc/07/18/10/1322071810.db2.gz NXBHELSOAVUMMN-UHFFFAOYSA-N 2 0 344.381 3.396 20 0 EGADRP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1 ZINC000849101989 1322079225 /nfs/dbraw/zinc/07/92/25/1322079225.db2.gz HVCOYTLCQYHGGL-INIZCTEOSA-N 2 0 340.556 3.205 20 0 EGADRP COc1ccc(NC(=[NH2+])NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1Cl ZINC000849110653 1322082223 /nfs/dbraw/zinc/08/22/23/1322082223.db2.gz MXJQWVLCBVXTFF-HNNXBMFYSA-N 2 0 338.883 3.405 20 0 EGADRP COc1ccc(NC(=[NH2+])NC[C@H]2[N@H+](C)CCCC2(C)C)cc1Cl ZINC000849110654 1322082501 /nfs/dbraw/zinc/08/25/01/1322082501.db2.gz MXJQWVLCBVXTFF-OAHLLOKOSA-N 2 0 338.883 3.405 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)C(=O)OC(C)(C)C ZINC000849349781 1322117111 /nfs/dbraw/zinc/11/71/11/1322117111.db2.gz HCDKLRGAIWITJK-UHFFFAOYSA-N 2 0 347.503 3.021 20 0 EGADRP COc1cncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000850100295 1322192524 /nfs/dbraw/zinc/19/25/24/1322192524.db2.gz FOQTVFKOZPGKHM-UHFFFAOYSA-N 2 0 331.485 3.154 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000920759248 1322219509 /nfs/dbraw/zinc/21/95/09/1322219509.db2.gz YEEHZQUZKJUCHH-GOSISDBHSA-N 2 0 347.503 3.189 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC1SCCS1 ZINC000850401537 1322239393 /nfs/dbraw/zinc/23/93/93/1322239393.db2.gz JNOXAIANGWEJQU-UHFFFAOYSA-N 2 0 338.542 3.057 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000921666250 1322374382 /nfs/dbraw/zinc/37/43/82/1322374382.db2.gz CEMRVFYTKONRFN-VAMGGRTRSA-N 2 0 347.572 3.239 20 0 EGADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@]34CCC[C@H]3OCC4)CC2)cc1 ZINC000922692408 1322592654 /nfs/dbraw/zinc/59/26/54/1322592654.db2.gz OWHSAFVQMHMEGV-NHCUHLMSSA-N 2 0 328.500 3.242 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000922847750 1322631873 /nfs/dbraw/zinc/63/18/73/1322631873.db2.gz WRASSYHEWGLCDZ-UHFFFAOYSA-N 2 0 328.504 3.178 20 0 EGADRP CCc1ncc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000923346191 1322738519 /nfs/dbraw/zinc/73/85/19/1322738519.db2.gz WCEMPOGXNMOZQI-HKUYNNGSSA-N 2 0 327.472 3.409 20 0 EGADRP [NH3+]CC[C@H]1CCN(Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000923487651 1322760839 /nfs/dbraw/zinc/76/08/39/1322760839.db2.gz NEBFTLLYIQEHQJ-ZDUSSCGKSA-N 2 0 335.448 3.032 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503270 1322763961 /nfs/dbraw/zinc/76/39/61/1322763961.db2.gz ICKLHQLRIZBQOU-ZWKOTPCHSA-N 2 0 343.515 3.424 20 0 EGADRP c1ccc(-c2nc3ccccn3c2C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516804 1322767573 /nfs/dbraw/zinc/76/75/73/1322767573.db2.gz SQBVQWKDRHXZGR-ZWKOTPCHSA-N 2 0 332.451 3.043 20 0 EGADRP CON1CCC([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000924605401 1323072361 /nfs/dbraw/zinc/07/23/61/1323072361.db2.gz VBJVGRJAPYDJNH-UHFFFAOYSA-N 2 0 331.504 3.034 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024009978 1323078240 /nfs/dbraw/zinc/07/82/40/1323078240.db2.gz COPRXGFVPOTJBL-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924630731 1323083648 /nfs/dbraw/zinc/08/36/48/1323083648.db2.gz AMCLUZWSLHGMIT-HNNXBMFYSA-N 2 0 329.488 3.418 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001024090505 1323123005 /nfs/dbraw/zinc/12/30/05/1323123005.db2.gz KAVVCQQAFFWGMS-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924728370 1323136132 /nfs/dbraw/zinc/13/61/32/1323136132.db2.gz FGFXADPIBUHOIF-MRXNPFEDSA-N 2 0 331.504 3.238 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001024120097 1323150028 /nfs/dbraw/zinc/15/00/28/1323150028.db2.gz KHZITVNKFPIFBG-IHPCNDPISA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1[C@H](NC2CC[NH+](C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000924841809 1323183937 /nfs/dbraw/zinc/18/39/37/1323183937.db2.gz DWQKJCMQYVEYCR-DYESRHJHSA-N 2 0 327.516 3.256 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000924861083 1323190068 /nfs/dbraw/zinc/19/00/68/1323190068.db2.gz HKUBJPIUQZXFPL-PKOBYXMFSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924895224 1323203788 /nfs/dbraw/zinc/20/37/88/1323203788.db2.gz JYVFAXRXHRJPFB-AWEZNQCLSA-N 2 0 343.437 3.426 20 0 EGADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000924964170 1323231149 /nfs/dbraw/zinc/23/11/49/1323231149.db2.gz OTRUDDFISHNLDZ-YLJYHZDGSA-N 2 0 343.515 3.065 20 0 EGADRP Cc1noc(C)c1[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000924969950 1323232247 /nfs/dbraw/zinc/23/22/47/1323232247.db2.gz NZRKWCFFJYBWDR-AWEZNQCLSA-N 2 0 331.460 3.125 20 0 EGADRP C[C@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000925039461 1323252582 /nfs/dbraw/zinc/25/25/82/1323252582.db2.gz GKSDLSUNFJRFBF-VTHDOGFWSA-N 2 0 328.500 3.323 20 0 EGADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853084699 1323276266 /nfs/dbraw/zinc/27/62/66/1323276266.db2.gz XBZAONQIXYTZCU-INIZCTEOSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853098442 1323281655 /nfs/dbraw/zinc/28/16/55/1323281655.db2.gz JNHXSTBLFISXRB-LAUBAEHRSA-N 2 0 339.483 3.137 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024437836 1323398767 /nfs/dbraw/zinc/39/87/67/1323398767.db2.gz WXZDWNPSKMXHIB-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440158 1323401118 /nfs/dbraw/zinc/40/11/18/1323401118.db2.gz LKGRUUAUMRCXEE-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024513044 1323464153 /nfs/dbraw/zinc/46/41/53/1323464153.db2.gz MJVYCKJMJSHZSD-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001024514331 1323466086 /nfs/dbraw/zinc/46/60/86/1323466086.db2.gz XTRHWNKFFYLXHZ-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC(C)(C)C)CC[N@@H+]1C ZINC001024619679 1323546680 /nfs/dbraw/zinc/54/66/80/1323546680.db2.gz ADADUIPAHPSVMU-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CC1 ZINC001024692940 1323609514 /nfs/dbraw/zinc/60/95/14/1323609514.db2.gz UIVWDILONIBIRE-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737900 1323636599 /nfs/dbraw/zinc/63/65/99/1323636599.db2.gz PJTOSIBNJLDGRO-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024813380 1323715635 /nfs/dbraw/zinc/71/56/35/1323715635.db2.gz AXAVEISCNQXHJE-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025004837 1323822733 /nfs/dbraw/zinc/82/27/33/1323822733.db2.gz CIXJWELBHXAXAU-GOSISDBHSA-N 2 0 335.536 3.020 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@H]2CCCCN2C(=O)C23CCC[NH+]2CCC3)C1 ZINC001025011128 1323824852 /nfs/dbraw/zinc/82/48/52/1323824852.db2.gz VRGWVESPGSNCPW-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025010857 1323824898 /nfs/dbraw/zinc/82/48/98/1323824898.db2.gz KCWQIGFQXQJPRH-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001025084380 1323886425 /nfs/dbraw/zinc/88/64/25/1323886425.db2.gz VUMNTBTWLJMLEN-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CC2CCC2)CCC1 ZINC001025240852 1324034801 /nfs/dbraw/zinc/03/48/01/1324034801.db2.gz RNMFSEQNITYLBK-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC1CCC1)C1CCC1 ZINC001025241382 1324036821 /nfs/dbraw/zinc/03/68/21/1324036821.db2.gz WWWAKUBFQFCPLI-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514790 1324359736 /nfs/dbraw/zinc/35/97/36/1324359736.db2.gz FVYURBBIZNOVRS-IRXDYDNUSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629659 1324481299 /nfs/dbraw/zinc/48/12/99/1324481299.db2.gz IOCSIYCLWJRCGL-QZTJIDSGSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026492377 1324845501 /nfs/dbraw/zinc/84/55/01/1324845501.db2.gz KFSJGXBDGZGSCI-SOAGJPPSSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC001026505703 1324854017 /nfs/dbraw/zinc/85/40/17/1324854017.db2.gz NBAHKSNMZBMLCV-HDYDNRTBSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1c(C(=O)NC2CCC([NH2+]CCC3CC3)CC2)ccc2c[nH+]cn21 ZINC001026518864 1324864133 /nfs/dbraw/zinc/86/41/33/1324864133.db2.gz MXXLACZQNGPTCL-UHFFFAOYSA-N 2 0 340.471 3.073 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026561340 1324896516 /nfs/dbraw/zinc/89/65/16/1324896516.db2.gz XBFLCTANJIOKRD-IPJUCJBFSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026610735 1324932982 /nfs/dbraw/zinc/93/29/82/1324932982.db2.gz UQLKSHBVKUJTSB-ABHNRTSZSA-N 2 0 349.544 3.140 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001026844344 1325042927 /nfs/dbraw/zinc/04/29/27/1325042927.db2.gz HOKQCOXBBRGYME-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CCS[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000925219975 1325084971 /nfs/dbraw/zinc/08/49/71/1325084971.db2.gz YFDWMQZNEGCQBE-QCLGFWRNSA-N 2 0 326.550 3.282 20 0 EGADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000925220676 1325085688 /nfs/dbraw/zinc/08/56/88/1325085688.db2.gz CMSKPZYYSJOTDT-CTNGQTDRSA-N 2 0 346.515 3.072 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000963332263 1325116505 /nfs/dbraw/zinc/11/65/05/1325116505.db2.gz WMHMMXRNZXOPAX-VIQWUECVSA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000963337326 1325126228 /nfs/dbraw/zinc/12/62/28/1325126228.db2.gz NWRBQSYCENIXEU-VQIMIIECSA-N 2 0 340.471 3.061 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360370 1325156203 /nfs/dbraw/zinc/15/62/03/1325156203.db2.gz MIRRBOXKKHAVEQ-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCCN(c3ccccc3Cl)C1)[NH2+]2 ZINC000925519042 1325187916 /nfs/dbraw/zinc/18/79/16/1325187916.db2.gz BJGISFZCSBLFSY-MISMHTLLSA-N 2 0 333.907 3.427 20 0 EGADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925539008 1325197661 /nfs/dbraw/zinc/19/76/61/1325197661.db2.gz XSVFDKVKROAVFO-DUXKGJEZSA-N 2 0 327.516 3.271 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925555006 1325206039 /nfs/dbraw/zinc/20/60/39/1325206039.db2.gz CPJMIYAATRRFAD-MAUKXSAKSA-N 2 0 333.907 3.349 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000925560027 1325209180 /nfs/dbraw/zinc/20/91/80/1325209180.db2.gz VYPMQWOALLEQJO-RBUKOAKNSA-N 3 0 347.934 3.412 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000925617123 1325232559 /nfs/dbraw/zinc/23/25/59/1325232559.db2.gz UWUVTQFFGWLUOA-NRFANRHFSA-N 3 0 338.499 3.368 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854232544 1325233462 /nfs/dbraw/zinc/23/34/62/1325233462.db2.gz SUZFDAKXFJCHSY-WMZOPIPTSA-N 2 0 344.503 3.007 20 0 EGADRP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000925631775 1325239366 /nfs/dbraw/zinc/23/93/66/1325239366.db2.gz KBVZEKCAFCYFRK-MANSERQUSA-N 2 0 349.469 3.348 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc(N2CCCC2)n1 ZINC000925669934 1325255845 /nfs/dbraw/zinc/25/58/45/1325255845.db2.gz ZEFGUSXWXSMSKW-PMACEKPBSA-N 2 0 342.531 3.248 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000925739700 1325277104 /nfs/dbraw/zinc/27/71/04/1325277104.db2.gz DFVNZPOSJIHTQX-CYBMUJFWSA-N 2 0 327.266 3.380 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000925740009 1325277191 /nfs/dbraw/zinc/27/71/91/1325277191.db2.gz GBYAJGWNDGETHK-MRXNPFEDSA-N 3 0 333.520 3.459 20 0 EGADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(I)cc1 ZINC000925740156 1325277230 /nfs/dbraw/zinc/27/72/30/1325277230.db2.gz DNOZNBLERRDRFB-SNVBAGLBSA-N 2 0 332.229 3.069 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCCC2 ZINC000925764695 1325290841 /nfs/dbraw/zinc/29/08/41/1325290841.db2.gz ACFBUKPHUGGKNV-ONYGOOLBSA-N 2 0 330.472 3.344 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCCC2 ZINC000925768955 1325292282 /nfs/dbraw/zinc/29/22/82/1325292282.db2.gz MYIXOKAUAFQLMI-SFNKJDCFSA-N 2 0 344.499 3.449 20 0 EGADRP CCSc1ccccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925829683 1325319482 /nfs/dbraw/zinc/31/94/82/1325319482.db2.gz ATVXRBUWHKIITD-FGTMMUONSA-N 2 0 334.529 3.088 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925846352 1325326536 /nfs/dbraw/zinc/32/65/36/1325326536.db2.gz LZRXYBRVOGTJDX-UXHICEINSA-N 2 0 344.547 3.081 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000963903132 1325428643 /nfs/dbraw/zinc/42/86/43/1325428643.db2.gz ZPZOBJFIMGCXTF-UHFFFAOYSA-N 2 0 345.531 3.174 20 0 EGADRP Cc1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000926125069 1325439227 /nfs/dbraw/zinc/43/92/27/1325439227.db2.gz JYLPASXEVJGJRZ-LEWJYISDSA-N 2 0 336.479 3.339 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000926201486 1325467164 /nfs/dbraw/zinc/46/71/64/1325467164.db2.gz DFZJZCVVGVBASI-IAGOWNOFSA-N 2 0 342.487 3.018 20 0 EGADRP COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926214988 1325474354 /nfs/dbraw/zinc/47/43/54/1325474354.db2.gz SZMWBUJYJYSZKS-CVEARBPZSA-N 2 0 347.503 3.266 20 0 EGADRP COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926214992 1325474453 /nfs/dbraw/zinc/47/44/53/1325474453.db2.gz SZMWBUJYJYSZKS-HZPDHXFCSA-N 2 0 347.503 3.266 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333141 1325492102 /nfs/dbraw/zinc/49/21/02/1325492102.db2.gz VHTKOBBOGWQLDR-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP OC[C@@H](CC(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926285503 1325503143 /nfs/dbraw/zinc/50/31/43/1325503143.db2.gz QAANPMFHQFIHRM-KCBNDJSGSA-N 2 0 338.442 3.178 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000856762799 1325520266 /nfs/dbraw/zinc/52/02/66/1325520266.db2.gz WTWHZJCALZYYGD-LJQANCHMSA-N 2 0 343.515 3.098 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CCC([NH2+]CC2CC2)CC1 ZINC000964437089 1325525255 /nfs/dbraw/zinc/52/52/55/1325525255.db2.gz KSEPWZQHAIVPAJ-UHFFFAOYSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000856930481 1325542069 /nfs/dbraw/zinc/54/20/69/1325542069.db2.gz WNIIOAGNOVQGCS-PXNSSMCTSA-N 2 0 343.515 3.100 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC[NH+](C)CC1 ZINC000926449558 1325559258 /nfs/dbraw/zinc/55/92/58/1325559258.db2.gz VIAOZGKWBQOJPB-OAHLLOKOSA-N 2 0 336.545 3.392 20 0 EGADRP COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926573911 1327622135 /nfs/dbraw/zinc/62/21/35/1327622135.db2.gz QLYZKJUBYACJIC-UZLBHIALSA-N 2 0 342.483 3.184 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000926694561 1327670481 /nfs/dbraw/zinc/67/04/81/1327670481.db2.gz RNLCYOPQVMDJKA-VOBGVNJCSA-N 2 0 328.500 3.323 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027438859 1327678720 /nfs/dbraw/zinc/67/87/20/1327678720.db2.gz VVRGRGDAJFHUQD-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447976 1327689512 /nfs/dbraw/zinc/68/95/12/1327689512.db2.gz CRNJXCOIZFKLQC-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926750944 1327698699 /nfs/dbraw/zinc/69/86/99/1327698699.db2.gz NKTAEDLFKIEBMJ-RHSMWYFYSA-N 2 0 325.447 3.128 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926889615 1327758551 /nfs/dbraw/zinc/75/85/51/1327758551.db2.gz MAAUDZIERNMUFA-YWZLYKJASA-N 2 0 330.447 3.446 20 0 EGADRP Cc1cc2ncc([C@H](C)[NH2+]C3CCC(C)([NH+]4CCC4)CC3)c(C)n2n1 ZINC000927037845 1327826329 /nfs/dbraw/zinc/82/63/29/1327826329.db2.gz LDEHTAHBBLDEIO-FVWXCPNNSA-N 2 0 341.503 3.404 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000927039404 1327827529 /nfs/dbraw/zinc/82/75/29/1327827529.db2.gz VBCDMRXGZIBZHZ-PPDQVPDSSA-N 2 0 339.487 3.325 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001027561747 1327879649 /nfs/dbraw/zinc/87/96/49/1327879649.db2.gz AKTHYQQWGQUQBW-WOJBJXKFSA-N 2 0 345.531 3.004 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)cc1C[NH+]1CCCCC1 ZINC000927149961 1327892801 /nfs/dbraw/zinc/89/28/01/1327892801.db2.gz HHLDXHFUEUCHKN-BXWFABGCSA-N 2 0 332.488 3.103 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCC3=CCCCC3)C2)C1 ZINC001027576632 1327914985 /nfs/dbraw/zinc/91/49/85/1327914985.db2.gz SPJDKIQIWPGOEB-ICSRJNTNSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603062 1327957271 /nfs/dbraw/zinc/95/72/71/1327957271.db2.gz CTXAWRMDIZUHLC-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027604326 1327959842 /nfs/dbraw/zinc/95/98/42/1327959842.db2.gz OUXGCCWTVZPGIZ-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694397 1328100753 /nfs/dbraw/zinc/10/07/53/1328100753.db2.gz XJSTZRPHDNNTGN-HXUWFJFHSA-N 2 0 347.547 3.286 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC3CC3)C2)o1 ZINC001027699870 1328113605 /nfs/dbraw/zinc/11/36/05/1328113605.db2.gz LIYDIWYGRWLBCY-KRWDZBQOSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966076852 1328170974 /nfs/dbraw/zinc/17/09/74/1328170974.db2.gz ODCLTHCFOCTCGO-ZWKOTPCHSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027878502 1328342401 /nfs/dbraw/zinc/34/24/01/1328342401.db2.gz DBEZXWAUIATXRP-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027878504 1328343404 /nfs/dbraw/zinc/34/34/04/1328343404.db2.gz DBEZXWAUIATXRP-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027879699 1328347314 /nfs/dbraw/zinc/34/73/14/1328347314.db2.gz WTKXPAFJXKPOJN-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001027924069 1328403347 /nfs/dbraw/zinc/40/33/47/1328403347.db2.gz CUNLZBRPTFYMHS-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027971834 1328445241 /nfs/dbraw/zinc/44/52/41/1328445241.db2.gz MWTNCVBQYJPKHP-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000865714662 1329731989 /nfs/dbraw/zinc/73/19/89/1329731989.db2.gz AYIMWRCXHYNZNN-UHFFFAOYSA-N 2 0 327.476 3.072 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000865716987 1329732104 /nfs/dbraw/zinc/73/21/04/1329732104.db2.gz KDYZGXQYZFGLBT-UHFFFAOYSA-N 2 0 343.515 3.196 20 0 EGADRP c1nc2cnccn2c1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718282 1329732298 /nfs/dbraw/zinc/73/22/98/1329732298.db2.gz XSFVIDTXVIKUBO-UHFFFAOYSA-N 2 0 349.482 3.121 20 0 EGADRP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000866306874 1330093750 /nfs/dbraw/zinc/09/37/50/1330093750.db2.gz OFOOWGZUWVVWDR-DZFGPLHGSA-N 2 0 330.516 3.284 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000866590111 1330130269 /nfs/dbraw/zinc/13/02/69/1330130269.db2.gz MNGNPFCHEBDUTD-FCHUYYIVSA-N 2 0 341.543 3.209 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000868162653 1330257274 /nfs/dbraw/zinc/25/72/74/1330257274.db2.gz GPHWHPCBEAFUJR-UHFFFAOYSA-N 2 0 332.492 3.038 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942822495 1332042748 /nfs/dbraw/zinc/04/27/48/1332042748.db2.gz LRDKINLRNXYKDG-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC000947686432 1333223789 /nfs/dbraw/zinc/22/37/89/1333223789.db2.gz YEXPXRJZQYNJNV-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1CCCCC1 ZINC000947725700 1333241251 /nfs/dbraw/zinc/24/12/51/1333241251.db2.gz BXBDVIDCZNEQMJ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCC1 ZINC000947776643 1333258356 /nfs/dbraw/zinc/25/83/56/1333258356.db2.gz XSYGYETYOMVHJN-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947907367 1333301246 /nfs/dbraw/zinc/30/12/46/1333301246.db2.gz GZFJUGBWRBLIOL-XLIONFOSSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCCC1CCCC1 ZINC000948040641 1333350170 /nfs/dbraw/zinc/35/01/70/1333350170.db2.gz REBYIOSNDNDIKZ-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948067115 1333361984 /nfs/dbraw/zinc/36/19/84/1333361984.db2.gz UCOBJUMYVLVGLF-WMZOPIPTSA-N 2 0 331.504 3.131 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374319 1333500649 /nfs/dbraw/zinc/50/06/49/1333500649.db2.gz UYBGLIUIRVUTSH-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377119 1333501866 /nfs/dbraw/zinc/50/18/66/1333501866.db2.gz HCFMDOKPNUYUCT-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC(C)C)CC2)CC[N@@H+]1C ZINC000948389190 1333504804 /nfs/dbraw/zinc/50/48/04/1333504804.db2.gz PDNCJPSUMZBEDS-CEXWTWQISA-N 2 0 337.552 3.076 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553567 1333572659 /nfs/dbraw/zinc/57/26/59/1333572659.db2.gz ITXNIVRWGGBUEH-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000948738417 1333653396 /nfs/dbraw/zinc/65/33/96/1333653396.db2.gz DQOOKYNMKSUAHR-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948775729 1333674648 /nfs/dbraw/zinc/67/46/48/1333674648.db2.gz PMYREOMTDIJCKT-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829591 1333701938 /nfs/dbraw/zinc/70/19/38/1333701938.db2.gz RBZUJSVRZCUJIG-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000949801529 1333927022 /nfs/dbraw/zinc/92/70/22/1333927022.db2.gz VMCRXSBLJOFNSN-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000950508844 1334083902 /nfs/dbraw/zinc/08/39/02/1334083902.db2.gz SNPSEPBIHUBMCX-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000950635169 1334100097 /nfs/dbraw/zinc/10/00/97/1334100097.db2.gz GESVJEMBLJREBP-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000950708061 1334119452 /nfs/dbraw/zinc/11/94/52/1334119452.db2.gz KASGTRFDCQSHLM-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000951200506 1334204835 /nfs/dbraw/zinc/20/48/35/1334204835.db2.gz AFGGCKSUCUSKSB-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673823 1336004871 /nfs/dbraw/zinc/00/48/71/1336004871.db2.gz MNFIIEAEZDVMCL-PXNSSMCTSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683009 1336009344 /nfs/dbraw/zinc/00/93/44/1336009344.db2.gz XGZDBBWMYIQOGA-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683170 1336009643 /nfs/dbraw/zinc/00/96/43/1336009643.db2.gz ZCVGHUWBXHNVCN-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968850413 1336067709 /nfs/dbraw/zinc/06/77/09/1336067709.db2.gz YAMSNGZKVZKCIF-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968882515 1336079142 /nfs/dbraw/zinc/07/91/42/1336079142.db2.gz PFZHEXYQXCTQSV-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968916136 1336087697 /nfs/dbraw/zinc/08/76/97/1336087697.db2.gz XGKSZVMHDMZLIE-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928630 1336093183 /nfs/dbraw/zinc/09/31/83/1336093183.db2.gz QHAJUOGTFYWPGW-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccc(F)cc1 ZINC000968989241 1336112005 /nfs/dbraw/zinc/11/20/05/1336112005.db2.gz GEHCZBSFXPJMHZ-QYZOEREBSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059806 1336133136 /nfs/dbraw/zinc/13/31/36/1336133136.db2.gz RRBMHMGWCIHBSY-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072467 1336137923 /nfs/dbraw/zinc/13/79/23/1336137923.db2.gz JNXFYBGBERCRFD-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000969108549 1336146967 /nfs/dbraw/zinc/14/69/67/1336146967.db2.gz FLUCTZNGZSEZEY-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1)C12CC[NH+](CC1)C2 ZINC000969118226 1336150236 /nfs/dbraw/zinc/15/02/36/1336150236.db2.gz IUCNFTSILLDFCB-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969657239 1336233845 /nfs/dbraw/zinc/23/38/45/1336233845.db2.gz AQXWSPWTHLCGTQ-FXAWDEMLSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000969675147 1336236029 /nfs/dbraw/zinc/23/60/29/1336236029.db2.gz POZYKSXBHFMEKN-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CCC(CC)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970018143 1336272394 /nfs/dbraw/zinc/27/23/94/1336272394.db2.gz YVMZWLXDJLKRRL-AWEZNQCLSA-N 2 0 342.487 3.129 20 0 EGADRP CC(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326355 1336294996 /nfs/dbraw/zinc/29/49/96/1336294996.db2.gz QKUQFGLSZAPWRE-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970528730 1336317649 /nfs/dbraw/zinc/31/76/49/1336317649.db2.gz JGKCRAJZCMLAFN-YLJYHZDGSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001005991524 1336435543 /nfs/dbraw/zinc/43/55/43/1336435543.db2.gz NWENJPIEDPVQFN-ZWKOTPCHSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001005990927 1336435643 /nfs/dbraw/zinc/43/56/43/1336435643.db2.gz JUXGHYLNROWFJZ-JLAWEPINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001006083145 1336449444 /nfs/dbraw/zinc/44/94/44/1336449444.db2.gz BEZQVXZTSUWFEB-GOSISDBHSA-N 2 0 335.536 3.140 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006442586 1336506861 /nfs/dbraw/zinc/50/68/61/1336506861.db2.gz JLEVQNZTCGTCQP-CALCHBBNSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001007495535 1336657490 /nfs/dbraw/zinc/65/74/90/1336657490.db2.gz KXFAFSBUSBQEEF-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007497134 1336657675 /nfs/dbraw/zinc/65/76/75/1336657675.db2.gz AVBFNKQXPYKCAB-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007498957 1336658542 /nfs/dbraw/zinc/65/85/42/1336658542.db2.gz MWLDVHPQCOHUKK-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007789267 1336700395 /nfs/dbraw/zinc/70/03/95/1336700395.db2.gz SRCAWRHRRYRPMP-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001008281854 1336814144 /nfs/dbraw/zinc/81/41/44/1336814144.db2.gz WXPOBSWHXANLTA-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001008282670 1336814675 /nfs/dbraw/zinc/81/46/75/1336814675.db2.gz YRVJFBPSQAUNKC-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014430067 1337775966 /nfs/dbraw/zinc/77/59/66/1337775966.db2.gz AKCFHRHEULWJQE-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001014446425 1337779210 /nfs/dbraw/zinc/77/92/10/1337779210.db2.gz GBEZMIYUVMVGQV-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015291387 1338086480 /nfs/dbraw/zinc/08/64/80/1338086480.db2.gz QZXBFCHMVRHTLW-VQIMIIECSA-N 2 0 348.450 3.208 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015392743 1338122300 /nfs/dbraw/zinc/12/23/00/1338122300.db2.gz PLUZAXHKKQNKCT-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603732 1338204156 /nfs/dbraw/zinc/20/41/56/1338204156.db2.gz XIPQMYLQRKMPDL-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001015710986 1338271364 /nfs/dbraw/zinc/27/13/64/1338271364.db2.gz WTUVPYRNPXHAFL-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015791176 1338312415 /nfs/dbraw/zinc/31/24/15/1338312415.db2.gz BQGUIWVNCBZAPJ-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015793594 1338313250 /nfs/dbraw/zinc/31/32/50/1338313250.db2.gz AOIHWNKEZMMUSC-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795764 1338315458 /nfs/dbraw/zinc/31/54/58/1338315458.db2.gz RVSJHCIOHVHRRZ-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001015900849 1338353553 /nfs/dbraw/zinc/35/35/53/1338353553.db2.gz XCGVZQCOMUEWAV-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001016631590 1338669209 /nfs/dbraw/zinc/66/92/09/1338669209.db2.gz WABRABYTMWRCMC-RCCFBDPRSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016686904 1338689965 /nfs/dbraw/zinc/68/99/65/1338689965.db2.gz DQXUPGQDYDFRIL-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2)[NH+]1CCCC1 ZINC001016761949 1338716006 /nfs/dbraw/zinc/71/60/06/1338716006.db2.gz SQJCBCREAFIBOC-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016787486 1338727629 /nfs/dbraw/zinc/72/76/29/1338727629.db2.gz NKEHVOMRFJXWGK-RTBURBONSA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016924805 1338772053 /nfs/dbraw/zinc/77/20/53/1338772053.db2.gz ZWANMUYTYRFGNM-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+]([C@@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001017659489 1339385633 /nfs/dbraw/zinc/38/56/33/1339385633.db2.gz UKPYIQKHXCVCTK-ZGXWSNOMSA-N 2 0 343.515 3.153 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051362 1339490497 /nfs/dbraw/zinc/49/04/97/1339490497.db2.gz GAIQFBNDGNIUGS-OKYOBFRVSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018334842 1339581909 /nfs/dbraw/zinc/58/19/09/1339581909.db2.gz OSUKZGKIWNMHMR-CALCHBBNSA-N 2 0 347.503 3.210 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001028181017 1340471435 /nfs/dbraw/zinc/47/14/35/1340471435.db2.gz LVUQHUTWTIVAMX-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181270 1340471859 /nfs/dbraw/zinc/47/18/59/1340471859.db2.gz PZTJSILZHGNVGY-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001028235247 1340497130 /nfs/dbraw/zinc/49/71/30/1340497130.db2.gz SPUSKGXVSUTAEI-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254406 1340514104 /nfs/dbraw/zinc/51/41/04/1340514104.db2.gz UEQJIXOMBKISJH-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343009 1340582374 /nfs/dbraw/zinc/58/23/74/1340582374.db2.gz KBVBKXCTTVDEKV-DLBZAZTESA-N 2 0 349.519 3.362 20 0 EGADRP O=C(NC[C@@H]1CC[N@H+](CCC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028755636 1340791632 /nfs/dbraw/zinc/79/16/32/1340791632.db2.gz RDGJESNXGSELHW-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001029003252 1340905068 /nfs/dbraw/zinc/90/50/68/1340905068.db2.gz JRSLDZOMJJUCCM-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001029004398 1340905133 /nfs/dbraw/zinc/90/51/33/1340905133.db2.gz WEKOCVJBLZYLDM-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001029107835 1340931734 /nfs/dbraw/zinc/93/17/34/1340931734.db2.gz QZPQXICMIOECGU-MRXNPFEDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001029146283 1340942709 /nfs/dbraw/zinc/94/27/09/1340942709.db2.gz IEMJBTCZZVDZJD-ZWKOTPCHSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029154793 1340944726 /nfs/dbraw/zinc/94/47/26/1340944726.db2.gz PRZKTMKOZNKLFK-FXAWDEMLSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001029164422 1340946271 /nfs/dbraw/zinc/94/62/71/1340946271.db2.gz JRJOJHUUOIEDTA-PKOBYXMFSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029344912 1340974679 /nfs/dbraw/zinc/97/46/79/1340974679.db2.gz GDGXRQGVXZPFKQ-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(CC)CC)C1 ZINC001029436810 1340990192 /nfs/dbraw/zinc/99/01/92/1340990192.db2.gz HVJWUEQGTCUZSF-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1)[NH+](C)C ZINC001029458892 1340995016 /nfs/dbraw/zinc/99/50/16/1340995016.db2.gz HGJCHPYLSZRQQJ-RSPOEFSDSA-N 2 0 343.515 3.009 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1)[NH+](C)C ZINC001029458891 1340995020 /nfs/dbraw/zinc/99/50/20/1340995020.db2.gz HGJCHPYLSZRQQJ-IJXRJRJASA-N 2 0 343.515 3.009 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](CC)c1ccccc1)[NH+](C)C ZINC001029555641 1341011612 /nfs/dbraw/zinc/01/16/12/1341011612.db2.gz DOAGMWSWCDDXRC-IYWMVGAKSA-N 2 0 343.515 3.153 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029738760 1341059549 /nfs/dbraw/zinc/05/95/49/1341059549.db2.gz DCTPMXXEPVZCAX-WOJBJXKFSA-N 2 0 347.547 3.140 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029750978 1341063542 /nfs/dbraw/zinc/06/35/42/1341063542.db2.gz YIQFBWQUJGULET-INIZCTEOSA-N 2 0 349.544 3.004 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029751631 1341063828 /nfs/dbraw/zinc/06/38/28/1341063828.db2.gz YQDFMWJYPNAXOT-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCCC3)C2)CC[N@@H+]1C ZINC001029819624 1341085603 /nfs/dbraw/zinc/08/56/03/1341085603.db2.gz OKMYJBIOUSGOHS-IHPCNDPISA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)CC1CCCCCC1 ZINC001029947830 1341130960 /nfs/dbraw/zinc/13/09/60/1341130960.db2.gz YAGUOEBQUNUEMG-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C[NH+](C)CC3CCC3)CC2)C1 ZINC001029986901 1341145806 /nfs/dbraw/zinc/14/58/06/1341145806.db2.gz ZKTGKWPNABYSEE-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+](C)CC3CCCC3)CC2)CC[N@@H+]1C ZINC001029988592 1341146833 /nfs/dbraw/zinc/14/68/33/1341146833.db2.gz SZVATVBFXKLNNB-PXNSSMCTSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001031254459 1341304279 /nfs/dbraw/zinc/30/42/79/1341304279.db2.gz SLTPKRCBOUASHB-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031666528 1341385510 /nfs/dbraw/zinc/38/55/10/1341385510.db2.gz PGWBFUKJEADITC-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031713887 1341392029 /nfs/dbraw/zinc/39/20/29/1341392029.db2.gz HPNMVRFFKCABQQ-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031806584 1341404246 /nfs/dbraw/zinc/40/42/46/1341404246.db2.gz HOCLVVALRVKATL-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001031817622 1341405291 /nfs/dbraw/zinc/40/52/91/1341405291.db2.gz MHAUCXVKVDZSBJ-MRXNPFEDSA-N 2 0 348.450 3.066 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001031918975 1341421871 /nfs/dbraw/zinc/42/18/71/1341421871.db2.gz ZPMGGCVJAPKYIQ-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918901 1341421902 /nfs/dbraw/zinc/42/19/02/1341421902.db2.gz VAHZRLDGVMLFSI-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001032129033 1341459871 /nfs/dbraw/zinc/45/98/71/1341459871.db2.gz PAQUDMVYYYWTFU-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001032478325 1341519826 /nfs/dbraw/zinc/51/98/26/1341519826.db2.gz BHAFFZBYGFHAID-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1)[NH+]1CCCC1 ZINC001032557891 1341539440 /nfs/dbraw/zinc/53/94/40/1341539440.db2.gz VBVKUYKQLVUIEA-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCC1 ZINC001032663873 1341575902 /nfs/dbraw/zinc/57/59/02/1341575902.db2.gz HCGKRKYQEOGHFG-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830282 1341629058 /nfs/dbraw/zinc/62/90/58/1341629058.db2.gz JKNGUGSBDHTHEN-LEAZDLGRSA-N 2 0 343.515 3.059 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033125451 1341733377 /nfs/dbraw/zinc/73/33/77/1341733377.db2.gz DYTZKJCITCSSAG-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033143897 1341738494 /nfs/dbraw/zinc/73/84/94/1341738494.db2.gz NJDJWTCKGFNEIB-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033353042 1341793125 /nfs/dbraw/zinc/79/31/25/1341793125.db2.gz CYXKXDDHFOCJGJ-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420447 1341821667 /nfs/dbraw/zinc/82/16/67/1341821667.db2.gz OZNHCHZEDBXAEG-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033472642 1341840346 /nfs/dbraw/zinc/84/03/46/1341840346.db2.gz ZLEACGGHOHRXBN-RTBURBONSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033575359 1341880585 /nfs/dbraw/zinc/88/05/85/1341880585.db2.gz QYECUEUWJZZOMD-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001033837439 1342035560 /nfs/dbraw/zinc/03/55/60/1342035560.db2.gz HWJUTEGJAVABEC-OKZBNKHCSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCC(C)C)C2)C1 ZINC001033936939 1342099448 /nfs/dbraw/zinc/09/94/48/1342099448.db2.gz ZNBSHTHZZIVCAZ-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033990212 1342133572 /nfs/dbraw/zinc/13/35/72/1342133572.db2.gz SOUYVPDLDJXJQG-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001034040357 1342180450 /nfs/dbraw/zinc/18/04/50/1342180450.db2.gz SSBGCMVBRHAWKT-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046131 1342186584 /nfs/dbraw/zinc/18/65/84/1342186584.db2.gz QEZJPHCZOJHJHQ-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034205400 1342316646 /nfs/dbraw/zinc/31/66/46/1342316646.db2.gz WJSDSCYBPMHVNM-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034238482 1342339471 /nfs/dbraw/zinc/33/94/71/1342339471.db2.gz CQMKEOMYQIFZID-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034239204 1342340586 /nfs/dbraw/zinc/34/05/86/1342340586.db2.gz JBAWOOALEWJISB-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034240505 1342340970 /nfs/dbraw/zinc/34/09/70/1342340970.db2.gz QMVSHQJAQJIWDZ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC001034310099 1342392381 /nfs/dbraw/zinc/39/23/81/1342392381.db2.gz UCCOCJBCGJQBSV-LJQANCHMSA-N 2 0 348.450 3.119 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001034309993 1342392730 /nfs/dbraw/zinc/39/27/30/1342392730.db2.gz RGZAAYIKXHQHJU-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001034366667 1342436623 /nfs/dbraw/zinc/43/66/23/1342436623.db2.gz CHFMSJLRYIXYPF-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034440006 1342501859 /nfs/dbraw/zinc/50/18/59/1342501859.db2.gz YIFVQYCBBXIQLL-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC)C1 ZINC001034481135 1342538821 /nfs/dbraw/zinc/53/88/21/1342538821.db2.gz QURGPKNVEDEQOW-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@H+](CC3CCC3)C2)c1 ZINC001034535162 1342591627 /nfs/dbraw/zinc/59/16/27/1342591627.db2.gz CBJWVHDWHHOXDH-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034662515 1342677470 /nfs/dbraw/zinc/67/74/70/1342677470.db2.gz NBAHKSNMZBMLCV-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034674304 1342685839 /nfs/dbraw/zinc/68/58/39/1342685839.db2.gz LQEJHJZGNGDEAA-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034683719 1342690732 /nfs/dbraw/zinc/69/07/32/1342690732.db2.gz YZCZIRCQMZMAMF-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001034704769 1342702679 /nfs/dbraw/zinc/70/26/79/1342702679.db2.gz WJSFVWSSPOKYGU-WGSAOQKQSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034738850 1342729933 /nfs/dbraw/zinc/72/99/33/1342729933.db2.gz WIYBGWNYEAEHCQ-FRYIKTPZSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001034753961 1342739337 /nfs/dbraw/zinc/73/93/37/1342739337.db2.gz NMUGWJLUKPEMQU-MUGJNUQGSA-N 2 0 347.547 3.211 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)cc1 ZINC001034756321 1342740872 /nfs/dbraw/zinc/74/08/72/1342740872.db2.gz GTNQKFPVQKIQBI-MXVIHJGJSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034935986 1342843617 /nfs/dbraw/zinc/84/36/17/1342843617.db2.gz GASKNIZNEQQFBC-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001035023462 1342882046 /nfs/dbraw/zinc/88/20/46/1342882046.db2.gz ZNAOGIONVQNHHX-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001078813277 1357094645 /nfs/dbraw/zinc/09/46/45/1357094645.db2.gz YJZHGZABYAUGEN-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC3(CC[NH+](CC(C)C)C3)CC2)C1 ZINC001035215748 1343034592 /nfs/dbraw/zinc/03/45/92/1343034592.db2.gz LBHYIBVCZYMZPO-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236904 1343060453 /nfs/dbraw/zinc/06/04/53/1343060453.db2.gz FBWIBPXNEULDRD-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001036292754 1343400898 /nfs/dbraw/zinc/40/08/98/1343400898.db2.gz FHOVCUWYONVVAO-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036412753 1343471717 /nfs/dbraw/zinc/47/17/17/1343471717.db2.gz LYYCPKCTBLTJCL-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001036477171 1343506305 /nfs/dbraw/zinc/50/63/05/1343506305.db2.gz XVDLMQZMFXOEHA-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036556725 1343552454 /nfs/dbraw/zinc/55/24/54/1343552454.db2.gz QQDQVAYEZPLZPI-QFBILLFUSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820703 1343758934 /nfs/dbraw/zinc/75/89/34/1343758934.db2.gz NEXUYEYATCFJSN-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001037196438 1344034308 /nfs/dbraw/zinc/03/43/08/1344034308.db2.gz CKOLQYPLPLXTPE-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037856948 1344142671 /nfs/dbraw/zinc/14/26/71/1344142671.db2.gz AQOMHWBEJCHQSB-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037858087 1344143683 /nfs/dbraw/zinc/14/36/83/1344143683.db2.gz DRVCQXUPQWGLMW-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037883579 1344158909 /nfs/dbraw/zinc/15/89/09/1344158909.db2.gz IAUYXIRQXFABRA-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037906816 1344171395 /nfs/dbraw/zinc/17/13/95/1344171395.db2.gz UQZISPZNRNALIZ-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001037979649 1344217340 /nfs/dbraw/zinc/21/73/40/1344217340.db2.gz TYIPSYDOLUCZLY-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1[NH2+]CC(C)C ZINC001037986246 1344221101 /nfs/dbraw/zinc/22/11/01/1344221101.db2.gz ZOIVEWYWYFSXKF-AZUAARDMSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038241926 1344338814 /nfs/dbraw/zinc/33/88/14/1344338814.db2.gz XFPJCVXQKXHILJ-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248088 1344342732 /nfs/dbraw/zinc/34/27/32/1344342732.db2.gz LUXMXLXVAWKLBB-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038329386 1344381906 /nfs/dbraw/zinc/38/19/06/1344381906.db2.gz PVILKIMKHZECJH-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038341237 1344386400 /nfs/dbraw/zinc/38/64/00/1344386400.db2.gz QFUSTAJDOVLRLX-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038782473 1344582439 /nfs/dbraw/zinc/58/24/39/1344582439.db2.gz UASUQPDSCXBDQM-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001039046821 1344733531 /nfs/dbraw/zinc/73/35/31/1344733531.db2.gz BUVLVJUABXIOAD-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)(C)C)o1 ZINC001039071535 1344753847 /nfs/dbraw/zinc/75/38/47/1344753847.db2.gz ANXXNZSONDOPBG-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001039126462 1344802697 /nfs/dbraw/zinc/80/26/97/1344802697.db2.gz LGYONCMXMPPBGV-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC2)C1 ZINC001039139005 1344819434 /nfs/dbraw/zinc/81/94/34/1344819434.db2.gz FJFKNAVQKPAFTN-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039166475 1344851830 /nfs/dbraw/zinc/85/18/30/1344851830.db2.gz ZAZOWBFRYWBGSZ-AZUAARDMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039227352 1344945944 /nfs/dbraw/zinc/94/59/44/1344945944.db2.gz CNDKOZKHKAFRLS-QFBILLFUSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039289335 1344998424 /nfs/dbraw/zinc/99/84/24/1344998424.db2.gz RCAKQCHREYAVOQ-SEBOWIOWSA-N 2 0 349.563 3.407 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039301412 1345003530 /nfs/dbraw/zinc/00/35/30/1345003530.db2.gz IHIANIRZIFHEGU-IPQPSQTFSA-N 2 0 335.536 3.161 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039301654 1345004184 /nfs/dbraw/zinc/00/41/84/1345004184.db2.gz LJNURNDQALCIGO-IPQPSQTFSA-N 2 0 335.536 3.159 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399553 1345046238 /nfs/dbraw/zinc/04/62/38/1345046238.db2.gz GIGDZDRGDJQGPB-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001039422926 1345061107 /nfs/dbraw/zinc/06/11/07/1345061107.db2.gz SYNXTGWBKUXSBQ-HSALFYBXSA-N 2 0 347.547 3.257 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039652649 1345153573 /nfs/dbraw/zinc/15/35/73/1345153573.db2.gz ITTJGCAMWIYINB-QRVBRYPASA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001039900295 1345240744 /nfs/dbraw/zinc/24/07/44/1345240744.db2.gz RTGHXNYAZGTVKI-HSALFYBXSA-N 2 0 347.547 3.138 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240890 1345391479 /nfs/dbraw/zinc/39/14/79/1345391479.db2.gz KRJONPQDRIIJNX-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)[NH+](C)C ZINC001040261339 1345400611 /nfs/dbraw/zinc/40/06/11/1345400611.db2.gz MRKNLXXSDFIVDX-YLJYHZDGSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040346334 1345445069 /nfs/dbraw/zinc/44/50/69/1345445069.db2.gz BQSOHOOMWVIWDA-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040708016 1345568049 /nfs/dbraw/zinc/56/80/49/1345568049.db2.gz NVCXMFSBLTYNBF-CEXWTWQISA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040744954 1345573269 /nfs/dbraw/zinc/57/32/69/1345573269.db2.gz FPBNOABKBDIBTA-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001040747308 1345573686 /nfs/dbraw/zinc/57/36/86/1345573686.db2.gz NQMDVQIUYXIGFW-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041342727 1345706371 /nfs/dbraw/zinc/70/63/71/1345706371.db2.gz GBYSTLBQTHCNBA-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041373396 1345711659 /nfs/dbraw/zinc/71/16/59/1345711659.db2.gz UQWXLEQHKMBIQH-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCC3CCCC3)C2)C1)[NH+](C)C ZINC001041694854 1345821049 /nfs/dbraw/zinc/82/10/49/1345821049.db2.gz ZYBREJZFPAWWLT-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041845225 1345871643 /nfs/dbraw/zinc/87/16/43/1345871643.db2.gz VPBFIXJCUUKFDT-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCC(C)(C)C)[C@H]3C2)CC1 ZINC001042287130 1346017663 /nfs/dbraw/zinc/01/76/63/1346017663.db2.gz GDTWYNIJWDDFMO-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001045037547 1346484478 /nfs/dbraw/zinc/48/44/78/1346484478.db2.gz NHXQEZWHFQQLHV-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1)c1ccccc1 ZINC001045106099 1346495675 /nfs/dbraw/zinc/49/56/75/1346495675.db2.gz AKFVTOADIWMVGZ-APWZRJJASA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438397 1346594014 /nfs/dbraw/zinc/59/40/14/1346594014.db2.gz SCOKCEWYEYHQCZ-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001045440656 1346594639 /nfs/dbraw/zinc/59/46/39/1346594639.db2.gz NAKBFOUHXFSRIQ-RBUKOAKNSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001045475519 1346603215 /nfs/dbraw/zinc/60/32/15/1346603215.db2.gz JZSFZCIPCRVEQW-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001045535026 1346620423 /nfs/dbraw/zinc/62/04/23/1346620423.db2.gz RQUIXDXMQMWPPX-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](F)C[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045588692 1346638686 /nfs/dbraw/zinc/63/86/86/1346638686.db2.gz FHCWKJXQNUSTCU-SFHVURJKSA-N 2 0 349.494 3.081 20 0 EGADRP CC1(NC(=O)C23CC[NH+](CC2)C3)CC[NH+](CCC2CCCCC2)CC1 ZINC001045621955 1346650128 /nfs/dbraw/zinc/65/01/28/1346650128.db2.gz XAZOYSICXHVSPR-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001045849557 1346720021 /nfs/dbraw/zinc/72/00/21/1346720021.db2.gz OHESOEFGRPJTMM-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001045876648 1346728760 /nfs/dbraw/zinc/72/87/60/1346728760.db2.gz UUZZPJZHHAIHQY-QYZOEREBSA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943730 1346779016 /nfs/dbraw/zinc/77/90/16/1346779016.db2.gz NKMCVCPUZMXINT-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001045986146 1346826900 /nfs/dbraw/zinc/82/69/00/1346826900.db2.gz HYYXKQPXDQWIQW-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@@]1(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](CC2CCC2)C1 ZINC001046317011 1346932523 /nfs/dbraw/zinc/93/25/23/1346932523.db2.gz DGLCBAIBXTVIRW-WIYYLYMNSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+](CC2CCCCC2)C1 ZINC001046487214 1346992345 /nfs/dbraw/zinc/99/23/45/1346992345.db2.gz RHPMPENYRMMJAC-FQEVSTJZSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001046561948 1347018180 /nfs/dbraw/zinc/01/81/80/1347018180.db2.gz JYCMGIBOPRLRIV-NQIIRXRSSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863612 1347136087 /nfs/dbraw/zinc/13/60/87/1347136087.db2.gz DZSAGIMOUANOEK-IBGZPJMESA-N 2 0 335.492 3.116 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863716 1347136738 /nfs/dbraw/zinc/13/67/38/1347136738.db2.gz HFOBXZIVIDDOMI-OXJNMPFZSA-N 2 0 349.519 3.362 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001047239690 1347265798 /nfs/dbraw/zinc/26/57/98/1347265798.db2.gz RVGRFGLZKVXZGW-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C3CC[NH+](CC)CC3)C2)C1 ZINC001047248600 1347273542 /nfs/dbraw/zinc/27/35/42/1347273542.db2.gz NGGBKSBRQXBBBL-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047257171 1347280206 /nfs/dbraw/zinc/28/02/06/1347280206.db2.gz PFZQDCFRHVJQNQ-AZUAARDMSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047862040 1347393096 /nfs/dbraw/zinc/39/30/96/1347393096.db2.gz KHZCIDYZDPREIQ-HOCLYGCPSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001048009249 1347439110 /nfs/dbraw/zinc/43/91/10/1347439110.db2.gz SXQZHLPISIPBFL-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048526007 1347578117 /nfs/dbraw/zinc/57/81/17/1347578117.db2.gz IOOBVKJPBCEQSO-YRPNKDGESA-N 2 0 349.563 3.265 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001048527853 1347578791 /nfs/dbraw/zinc/57/87/91/1347578791.db2.gz ODLAJDAGGYGKDH-UJWQCDCRSA-N 2 0 349.563 3.122 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001048622942 1347622384 /nfs/dbraw/zinc/62/23/84/1347622384.db2.gz MGBAGZRDEQSREY-GUDVDZBRSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860820 1347672490 /nfs/dbraw/zinc/67/24/90/1347672490.db2.gz DELATNKIGWNBPU-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001049508578 1347884495 /nfs/dbraw/zinc/88/44/95/1347884495.db2.gz QIGFAAHFBLCRER-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCCC1)C1CCC1 ZINC001049514510 1347886882 /nfs/dbraw/zinc/88/68/82/1347886882.db2.gz GHMQNPCKMALMHD-UXHICEINSA-N 2 0 345.531 3.036 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC2CCCC2)CCC1 ZINC001049517669 1347888436 /nfs/dbraw/zinc/88/84/36/1347888436.db2.gz LUQXJRAXESVTFW-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049519712 1347889025 /nfs/dbraw/zinc/88/90/25/1347889025.db2.gz ASHROUMEYGHLQA-CEXWTWQISA-N 2 0 335.536 3.115 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049519718 1347889392 /nfs/dbraw/zinc/88/93/92/1347889392.db2.gz ASHROUMEYGHLQA-GUDVDZBRSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049520213 1347889432 /nfs/dbraw/zinc/88/94/32/1347889432.db2.gz CCMDXZDYHQSVTG-AQNXPRMDSA-N 2 0 347.547 3.115 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566297 1347913521 /nfs/dbraw/zinc/91/35/21/1347913521.db2.gz BLAGJSFLKXRGDE-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568434 1347914684 /nfs/dbraw/zinc/91/46/84/1347914684.db2.gz UETPNMPZMWHQGV-ROUUACIJSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049727884 1347991434 /nfs/dbraw/zinc/99/14/34/1347991434.db2.gz MGZCHXLQQPOFGR-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768392 1348011144 /nfs/dbraw/zinc/01/11/44/1348011144.db2.gz WCRSKUATQBTIRQ-IPMKNSEASA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819688 1348036893 /nfs/dbraw/zinc/03/68/93/1348036893.db2.gz GVOGTXLFUIVOMZ-UXHICEINSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914011 1348109195 /nfs/dbraw/zinc/10/91/95/1348109195.db2.gz LHGNLCCGWVEYHW-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001050257505 1348220723 /nfs/dbraw/zinc/22/07/23/1348220723.db2.gz IYMQIRPVOUELPE-UZLBHIALSA-N 2 0 343.515 3.238 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001050518641 1348282588 /nfs/dbraw/zinc/28/25/88/1348282588.db2.gz HEIWEVBCSLWEQA-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050577468 1348292951 /nfs/dbraw/zinc/29/29/51/1348292951.db2.gz QUZBEJXUYHOLFW-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380700 1348536725 /nfs/dbraw/zinc/53/67/25/1348536725.db2.gz DNVFFVROJXILFR-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001052486352 1348553811 /nfs/dbraw/zinc/55/38/11/1348553811.db2.gz LFVJCQNRNINZBO-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652183 1348614267 /nfs/dbraw/zinc/61/42/67/1348614267.db2.gz UTKIYQQJAVVJKJ-ICSRJNTNSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001052658411 1348616968 /nfs/dbraw/zinc/61/69/68/1348616968.db2.gz NCIVMFJGXOEJOD-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CC1 ZINC001052680780 1348627948 /nfs/dbraw/zinc/62/79/48/1348627948.db2.gz UGIJSZPDFGBLQB-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680748 1348628395 /nfs/dbraw/zinc/62/83/95/1348628395.db2.gz SQCGDGKRJQFLOS-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052713452 1348645402 /nfs/dbraw/zinc/64/54/02/1348645402.db2.gz XNRBFJPHAULENL-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001052765420 1348670008 /nfs/dbraw/zinc/67/00/08/1348670008.db2.gz ZEIPCTFFJGIFOW-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)CC2)CC1 ZINC001052766396 1348670902 /nfs/dbraw/zinc/67/09/02/1348670902.db2.gz BUYLXUYIABGNJC-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052955578 1348769527 /nfs/dbraw/zinc/76/95/27/1348769527.db2.gz HPLMZCNCXQHXPE-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(CC)CC)CC1 ZINC001052985425 1348788285 /nfs/dbraw/zinc/78/82/85/1348788285.db2.gz MSLJFPMAZWMRHZ-BGYRXZFFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096765 1348926516 /nfs/dbraw/zinc/92/65/16/1348926516.db2.gz ZIOSRBXUDIDRDG-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053096921 1348927407 /nfs/dbraw/zinc/92/74/07/1348927407.db2.gz BHSIGCXJUSGPRT-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100201 1348933313 /nfs/dbraw/zinc/93/33/13/1348933313.db2.gz FERYQIJPRNDKTK-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100941 1348934593 /nfs/dbraw/zinc/93/45/93/1348934593.db2.gz JXYCLWVLNWBVAR-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105071 1348940887 /nfs/dbraw/zinc/94/08/87/1348940887.db2.gz LGICKFMARJMIEQ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1)[NH+](C)C ZINC001054154151 1349157436 /nfs/dbraw/zinc/15/74/36/1349157436.db2.gz QEGVNXCLEDXCHP-YLJYHZDGSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243786 1349238131 /nfs/dbraw/zinc/23/81/31/1349238131.db2.gz OBYLUMMBMOKLBG-OAQYLSRUSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245351 1349239168 /nfs/dbraw/zinc/23/91/68/1349239168.db2.gz SFDLFLZCKAXSGU-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292661 1349297807 /nfs/dbraw/zinc/29/78/07/1349297807.db2.gz QQAYGLPFPVYSIW-FQEVSTJZSA-N 2 0 343.515 3.293 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001054296216 1349301383 /nfs/dbraw/zinc/30/13/83/1349301383.db2.gz JDCALBZVLJIVII-AABGKKOBSA-N 2 0 345.531 3.305 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001054970658 1349531497 /nfs/dbraw/zinc/53/14/97/1349531497.db2.gz HDZMOZSODFXSMY-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080624070 1357705008 /nfs/dbraw/zinc/70/50/08/1357705008.db2.gz QOUSZCHICFHBGP-OXQOHEQNSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627372 1354811739 /nfs/dbraw/zinc/81/17/39/1354811739.db2.gz DRZUGJJJJRHDON-GOEBONIOSA-N 2 0 328.460 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071646446 1354823853 /nfs/dbraw/zinc/82/38/53/1354823853.db2.gz YLKVCPILPVMLOH-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC001071739326 1354889354 /nfs/dbraw/zinc/88/93/54/1354889354.db2.gz QVNIWEQKLTUWLC-SJORKVTESA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071819239 1354959979 /nfs/dbraw/zinc/95/99/79/1354959979.db2.gz STWMTKMHVOKKMD-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCCCCC1 ZINC001072081003 1355118607 /nfs/dbraw/zinc/11/86/07/1355118607.db2.gz FJVLRIARTWDIDL-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCC1CCCCCC1 ZINC001072082379 1355119242 /nfs/dbraw/zinc/11/92/42/1355119242.db2.gz ZCPPPUSFZNWZPN-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001073970451 1356004084 /nfs/dbraw/zinc/00/40/84/1356004084.db2.gz OZFBYNCXSBCFNQ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC2)c1 ZINC001074100878 1356084468 /nfs/dbraw/zinc/08/44/68/1356084468.db2.gz BNRCGDRFTZGPOK-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074811712 1356250385 /nfs/dbraw/zinc/25/03/85/1356250385.db2.gz BXAIPAOTIAIDMX-WDSOQIARSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)[C@@H]2C)C1 ZINC001074878106 1356276888 /nfs/dbraw/zinc/27/68/88/1356276888.db2.gz ALYSDKIHEVTGBL-HBFSDRIKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099107353 1363625903 /nfs/dbraw/zinc/62/59/03/1363625903.db2.gz YAZIVKGOTIHDEX-QGZVFWFLSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001323147564 1387302520 /nfs/dbraw/zinc/30/25/20/1387302520.db2.gz GMEUYKPREMEKAV-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082943720 1358106923 /nfs/dbraw/zinc/10/69/23/1358106923.db2.gz YOILOXPFGMXTPB-RLLQIKCJSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517039 1387315941 /nfs/dbraw/zinc/31/59/41/1387315941.db2.gz LTSHPWLYQUCYKM-SFHLNBCPSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001183496267 1387313483 /nfs/dbraw/zinc/31/34/83/1387313483.db2.gz FMOKOIXGISCNQY-WHIUHWMMSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001183562850 1387319423 /nfs/dbraw/zinc/31/94/23/1387319423.db2.gz LORAOMHHCZHMTI-WIYYLYMNSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(CC)CC)C[C@H]32)C1 ZINC001084598832 1358253662 /nfs/dbraw/zinc/25/36/62/1358253662.db2.gz HUCKVRCTRIRZLQ-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CCCCC3)[C@H]2C1)[NH+](C)C ZINC001084970458 1358356288 /nfs/dbraw/zinc/35/62/88/1358356288.db2.gz GVPWJMWKJIYJBD-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085196559 1358430748 /nfs/dbraw/zinc/43/07/48/1358430748.db2.gz DRTILCHGXQNTGL-VAMGGRTRSA-N 2 0 349.563 3.457 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085245666 1358442912 /nfs/dbraw/zinc/44/29/12/1358442912.db2.gz HDPJZMLDZHGUSC-QRVBRYPASA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085245655 1358443043 /nfs/dbraw/zinc/44/30/43/1358443043.db2.gz GWETVHVSHAQTRE-QRVBRYPASA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085332139 1358469920 /nfs/dbraw/zinc/46/99/20/1358469920.db2.gz LTQCYYVURZQXQE-QXAKKESOSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085593140 1358620707 /nfs/dbraw/zinc/62/07/07/1358620707.db2.gz CGFQPSMYLIMFHG-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597765 1358624331 /nfs/dbraw/zinc/62/43/31/1358624331.db2.gz FSQQOKNGEDOJDQ-ICSRJNTNSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085639487 1358652535 /nfs/dbraw/zinc/65/25/35/1358652535.db2.gz PRVKDBBJHCMSRM-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c[nH+]c2ccccc2c1NCc1cccc(CN2CCOCC2)c1 ZINC001323427868 1387368809 /nfs/dbraw/zinc/36/88/09/1387368809.db2.gz USAFOFJZICNDII-UHFFFAOYSA-N 2 0 347.462 3.409 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001086107190 1358999066 /nfs/dbraw/zinc/99/90/66/1358999066.db2.gz NPRFEDJDHWQZON-NSHGMRRFSA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086558649 1359145247 /nfs/dbraw/zinc/14/52/47/1359145247.db2.gz GUSCUJYSEOQHTB-HNBVOPMISA-N 2 0 343.515 3.106 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CC3)C2)o1 ZINC001086562723 1359148196 /nfs/dbraw/zinc/14/81/96/1359148196.db2.gz FEJZEMSZGRKOTD-QAQDUYKDSA-N 2 0 347.503 3.020 20 0 EGADRP C[C@H]1CC2(CN1C(=O)[C@H]1CCC[N@@H+]1C)CC[NH+](CCC(C)(C)C)CC2 ZINC001086910442 1359238030 /nfs/dbraw/zinc/23/80/30/1359238030.db2.gz TWPKTTFJQOVABP-ZWKOTPCHSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086926104 1359251162 /nfs/dbraw/zinc/25/11/62/1359251162.db2.gz PCRQEHJGXZOKFD-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086926102 1359251331 /nfs/dbraw/zinc/25/13/31/1359251331.db2.gz PCRQEHJGXZOKFD-MOPGFXCFSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2 ZINC001086926971 1359252089 /nfs/dbraw/zinc/25/20/89/1359252089.db2.gz OTSOWLFVOPPEDY-RTBURBONSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938056 1359260303 /nfs/dbraw/zinc/26/03/03/1359260303.db2.gz GXAMYTAWPCRZFN-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952249 1359272709 /nfs/dbraw/zinc/27/27/09/1359272709.db2.gz DAKMLJSZEPGFJR-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC[N@@H+]1CC1CCCC1 ZINC001087636315 1359565557 /nfs/dbraw/zinc/56/55/57/1359565557.db2.gz KLGUANOXAQLEOE-ZCNNSNEGSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC001087642496 1359567537 /nfs/dbraw/zinc/56/75/37/1359567537.db2.gz SLKFNIQAHHYAFF-VQTJNVASSA-N 2 0 348.450 3.117 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087699934 1359599186 /nfs/dbraw/zinc/59/91/86/1359599186.db2.gz SPEPMZYZBIEIFA-DSLXNQLJSA-N 2 0 349.563 3.122 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CCC(C)C ZINC001087749630 1359626523 /nfs/dbraw/zinc/62/65/23/1359626523.db2.gz RZRCDNDCMQUMTD-GBESFXJTSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CC1CCCC1 ZINC001087749283 1359626761 /nfs/dbraw/zinc/62/67/61/1359626761.db2.gz CTADRHXOMKMXKX-ZCNNSNEGSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1CC ZINC001087792218 1359648209 /nfs/dbraw/zinc/64/82/09/1359648209.db2.gz SQYLCQQJIBBPDU-XUVXKRRUSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088382230 1359865360 /nfs/dbraw/zinc/86/53/60/1359865360.db2.gz XBDBKAXJJFZODG-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430713 1359898232 /nfs/dbraw/zinc/89/82/32/1359898232.db2.gz WRTCCUWIAPAZIS-IBGZPJMESA-N 2 0 331.504 3.131 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569507 1359977039 /nfs/dbraw/zinc/97/70/39/1359977039.db2.gz XEQQYDDXGZTDLR-LMMKCTJWSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088616965 1359992443 /nfs/dbraw/zinc/99/24/43/1359992443.db2.gz SRAXVZKBKRUEQY-HOJAQTOUSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088621868 1359993772 /nfs/dbraw/zinc/99/37/72/1359993772.db2.gz XCXFJFWIKFPPBK-RLLQIKCJSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001088768978 1360036831 /nfs/dbraw/zinc/03/68/31/1360036831.db2.gz MLXPAOIPAGMJQV-UXPWSPDFSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897298 1360097842 /nfs/dbraw/zinc/09/78/42/1360097842.db2.gz CPGNMDKVNLGHHF-LMMKCTJWSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)[C@@H]1C ZINC001088971006 1360120528 /nfs/dbraw/zinc/12/05/28/1360120528.db2.gz XQKFOFBVZQOSLR-CEXWTWQISA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001089207725 1360253095 /nfs/dbraw/zinc/25/30/95/1360253095.db2.gz AVZNQDOMPOGMST-YSIASYRMSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089391837 1360392539 /nfs/dbraw/zinc/39/25/39/1360392539.db2.gz PWFPESQQRCVBEF-CEXWTWQISA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407087 1360405403 /nfs/dbraw/zinc/40/54/03/1360405403.db2.gz VZMGYWTXQPPAAN-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477042 1360459482 /nfs/dbraw/zinc/45/94/82/1360459482.db2.gz KFCQHSABBNLOKC-GBESFXJTSA-N 2 0 349.563 3.290 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)CC1 ZINC001089484651 1360465499 /nfs/dbraw/zinc/46/54/99/1360465499.db2.gz ZJMFMDGVFSHNJR-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+](CCCC2CCC2)C1 ZINC001089563073 1360510644 /nfs/dbraw/zinc/51/06/44/1360510644.db2.gz OJLXDDAAZDVEQI-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089564867 1360511647 /nfs/dbraw/zinc/51/16/47/1360511647.db2.gz KGZBXTDAJYEUDK-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616425 1360536618 /nfs/dbraw/zinc/53/66/18/1360536618.db2.gz GVAPRMBVMMPNJT-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089660763 1360571732 /nfs/dbraw/zinc/57/17/32/1360571732.db2.gz PSHJEWXWORTVPT-MRXNPFEDSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001089663018 1360573684 /nfs/dbraw/zinc/57/36/84/1360573684.db2.gz HUMICGCKZFTKOC-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664147 1360574216 /nfs/dbraw/zinc/57/42/16/1360574216.db2.gz CROHKXSTOQNCOB-GOSISDBHSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671387 1360581531 /nfs/dbraw/zinc/58/15/31/1360581531.db2.gz QOFLWHMZQLCYLM-GOSISDBHSA-N 2 0 342.487 3.355 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089733728 1360637685 /nfs/dbraw/zinc/63/76/85/1360637685.db2.gz AIRXPLMBVBMMGV-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089734111 1360638258 /nfs/dbraw/zinc/63/82/58/1360638258.db2.gz ITAJBEVCJMQZHW-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001323835857 1387469280 /nfs/dbraw/zinc/46/92/80/1387469280.db2.gz NXCKHIMBMBBJRC-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP O=C(NCC1CC([NH2+]CCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001091123663 1360994430 /nfs/dbraw/zinc/99/44/30/1360994430.db2.gz BCNYHHGGZBIZIQ-UHFFFAOYSA-N 2 0 340.471 3.013 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001093120963 1361532944 /nfs/dbraw/zinc/53/29/44/1361532944.db2.gz REJDSFYTVIVRBQ-AQNXPRMDSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184736455 1387523713 /nfs/dbraw/zinc/52/37/13/1387523713.db2.gz UXZQVBMBDTZKTI-FUHWJXTLSA-N 2 0 342.487 3.212 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088310 1361736941 /nfs/dbraw/zinc/73/69/41/1361736941.db2.gz NSJLGXDBQUJTQY-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497094 1361830540 /nfs/dbraw/zinc/83/05/40/1361830540.db2.gz ODYATSSZXNSWNF-SFHLNBCPSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001095065819 1362002522 /nfs/dbraw/zinc/00/25/22/1362002522.db2.gz QJFYVBRDDAWYGY-ULQDDVLXSA-N 2 0 347.503 3.114 20 0 EGADRP C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001184893715 1387557735 /nfs/dbraw/zinc/55/77/35/1387557735.db2.gz YMQJUMXIVFENKJ-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095532777 1362162983 /nfs/dbraw/zinc/16/29/83/1362162983.db2.gz PWUGDPVEPHCTSK-YRXWBPOGSA-N 2 0 349.563 3.407 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001096611120 1362595979 /nfs/dbraw/zinc/59/59/79/1362595979.db2.gz JBSLFWBFDDJSAV-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096611481 1362596482 /nfs/dbraw/zinc/59/64/82/1362596482.db2.gz NKTRIMBQXZIPKU-YDZRNGNQSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2(C)CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001324335541 1387596407 /nfs/dbraw/zinc/59/64/07/1387596407.db2.gz QTLPOCUZPUFPEU-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(CC)CC)C1 ZINC001097694951 1363102983 /nfs/dbraw/zinc/10/29/83/1363102983.db2.gz LWZYZEVXKYRCBW-WTGUMLROSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001099166417 1363666170 /nfs/dbraw/zinc/66/61/70/1363666170.db2.gz VTZQGLIHWBWXMD-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCCC1 ZINC001099215652 1363696414 /nfs/dbraw/zinc/69/64/14/1363696414.db2.gz YDRHSJFWNFKMDR-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001099239124 1363708323 /nfs/dbraw/zinc/70/83/23/1363708323.db2.gz AHNSVZPKVAAUCD-SJORKVTESA-N 2 0 339.568 3.370 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240913 1363708989 /nfs/dbraw/zinc/70/89/89/1363708989.db2.gz VQJMJLBUOUWLDO-HMTUNPETSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099296431 1363736382 /nfs/dbraw/zinc/73/63/82/1363736382.db2.gz AVUKFKXJZPUVQF-GFOMBABLSA-N 2 0 337.552 3.291 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)[N@H+](CC2CC2)C1 ZINC001099340574 1363760632 /nfs/dbraw/zinc/76/06/32/1363760632.db2.gz VQLYURHABINUJQ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099551610 1363844146 /nfs/dbraw/zinc/84/41/46/1363844146.db2.gz ACRPRNQPBBIRAW-MUGJNUQGSA-N 2 0 349.563 3.076 20 0 EGADRP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099551650 1363844200 /nfs/dbraw/zinc/84/42/00/1363844200.db2.gz AQMWEFJSWRPMKE-MUGJNUQGSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100383338 1364097521 /nfs/dbraw/zinc/09/75/21/1364097521.db2.gz WKPRTFNWBWLVKJ-DAWZGUTISA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406646 1364104162 /nfs/dbraw/zinc/10/41/62/1364104162.db2.gz GNARMFXUYBJXGG-KFYHWWINSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100406727 1364104226 /nfs/dbraw/zinc/10/42/26/1364104226.db2.gz KLDBOGLCXQYKLH-SOAGJPPSSA-N 2 0 347.547 3.234 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100419535 1364108246 /nfs/dbraw/zinc/10/82/46/1364108246.db2.gz WINVFHHQKZAWLJ-LKFCSYKXSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100599224 1364182917 /nfs/dbraw/zinc/18/29/17/1364182917.db2.gz PWPDPWCVYDDZFX-IOJLRTSASA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001100669058 1364211281 /nfs/dbraw/zinc/21/12/81/1364211281.db2.gz MOCBZEMAQFREMI-ABHNRTSZSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001100815098 1364275657 /nfs/dbraw/zinc/27/56/57/1364275657.db2.gz GWFQJEJHJLCWIX-UHFFFAOYSA-N 2 0 337.552 3.027 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001101024685 1364379955 /nfs/dbraw/zinc/37/99/55/1364379955.db2.gz CJQGTKDQRFNEEM-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476424 1364575541 /nfs/dbraw/zinc/57/55/41/1364575541.db2.gz RZDVFMOXOUTAIR-DYXWJJEUSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101540510 1364606900 /nfs/dbraw/zinc/60/69/00/1364606900.db2.gz HGHUVOJOWHBAIQ-SFHVURJKSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001101574733 1364628879 /nfs/dbraw/zinc/62/88/79/1364628879.db2.gz BDWMYECTOMRAKJ-MJGOQNOKSA-N 2 0 349.563 3.005 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001101596449 1364647340 /nfs/dbraw/zinc/64/73/40/1364647340.db2.gz ZIODJAZJWGIHCE-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070316 1364836104 /nfs/dbraw/zinc/83/61/04/1364836104.db2.gz FNMPAFKTMVYIOZ-QHSFFJGXSA-N 2 0 337.552 3.003 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102428899 1365050103 /nfs/dbraw/zinc/05/01/03/1365050103.db2.gz YJNWTBHJAKODLN-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102783182 1365216296 /nfs/dbraw/zinc/21/62/96/1365216296.db2.gz YJJMXEHQKIWKQQ-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001324669631 1387726502 /nfs/dbraw/zinc/72/65/02/1387726502.db2.gz PREJVRSTAKHNER-YLJYHZDGSA-N 2 0 331.504 3.060 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111614 1365386853 /nfs/dbraw/zinc/38/68/53/1365386853.db2.gz DUXJGRQBSIIJPF-NFTNHMJPSA-N 2 0 337.552 3.003 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185525871 1387739235 /nfs/dbraw/zinc/73/92/35/1387739235.db2.gz GYCXEGLCJHJXFO-RBUKOAKNSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373514 1365523227 /nfs/dbraw/zinc/52/32/27/1365523227.db2.gz VUXKMTVEHCUBIP-GVDBMIGSSA-N 2 0 349.519 3.075 20 0 EGADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001103426517 1365553130 /nfs/dbraw/zinc/55/31/30/1365553130.db2.gz AIWDAGFGSXDQMJ-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433974 1365557544 /nfs/dbraw/zinc/55/75/44/1365557544.db2.gz PXDMMXOJKXQURA-WSTZPKSXSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103612549 1365676152 /nfs/dbraw/zinc/67/61/52/1365676152.db2.gz IJFUOMYMDZCKFM-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC2)C[C@H]1C ZINC001103631593 1365690185 /nfs/dbraw/zinc/69/01/85/1365690185.db2.gz UYFSKISTZRKAHT-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C2)cc1 ZINC001185676125 1387775445 /nfs/dbraw/zinc/77/54/45/1387775445.db2.gz MGTLEQGVSBGCDG-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104287291 1365976511 /nfs/dbraw/zinc/97/65/11/1365976511.db2.gz BEAQITCEBVPLPG-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccc(F)cc1 ZINC001185705516 1387783018 /nfs/dbraw/zinc/78/30/18/1387783018.db2.gz DXBXXKPEPKHECB-CRAIPNDOSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104579871 1366085437 /nfs/dbraw/zinc/08/54/37/1366085437.db2.gz RJDRLJRLNZGECW-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1)[NH+](CC)CC ZINC001104666635 1366124240 /nfs/dbraw/zinc/12/42/40/1366124240.db2.gz RXBOWPBJAQXUAU-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001104873774 1366206106 /nfs/dbraw/zinc/20/61/06/1366206106.db2.gz FEHMRQGZQHIDGQ-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104896618 1366213460 /nfs/dbraw/zinc/21/34/60/1366213460.db2.gz HRXUBCGFMBESCS-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)CC(C)C)C1 ZINC001104937503 1366231181 /nfs/dbraw/zinc/23/11/81/1366231181.db2.gz BHIKTFCHOBZWHX-GUDVDZBRSA-N 2 0 339.568 3.085 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001185778281 1387797380 /nfs/dbraw/zinc/79/73/80/1387797380.db2.gz HWPCHUUQLCDECF-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001105066894 1366304727 /nfs/dbraw/zinc/30/47/27/1366304727.db2.gz FTQSGTUGQLCODM-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1)[NH+](CC)CC ZINC001105396892 1366445799 /nfs/dbraw/zinc/44/57/99/1366445799.db2.gz YLIROPUBWAZLSP-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544322 1366520998 /nfs/dbraw/zinc/52/09/98/1366520998.db2.gz HGWXRODNHQBGMH-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C\CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561119 1366531322 /nfs/dbraw/zinc/53/13/22/1366531322.db2.gz HWJWRDMZJURHLH-SFFCAUCYSA-N 2 0 349.563 3.435 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)[NH+](CC)CC)CCC1 ZINC001105561874 1366531494 /nfs/dbraw/zinc/53/14/94/1366531494.db2.gz TZLNXZQOPDHRSW-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563325 1366532715 /nfs/dbraw/zinc/53/27/15/1366532715.db2.gz JYCCIJHIQNMOQZ-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105563350 1366532929 /nfs/dbraw/zinc/53/29/29/1366532929.db2.gz KSLZMTFXEDKVIM-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105564323 1366533525 /nfs/dbraw/zinc/53/35/25/1366533525.db2.gz ZTNXKORVTJWHGG-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357951 1366668461 /nfs/dbraw/zinc/66/84/61/1366668461.db2.gz QQIGAXWNEDECDF-AHSYYPKJSA-N 2 0 349.563 3.147 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106776363 1366794528 /nfs/dbraw/zinc/79/45/28/1366794528.db2.gz IYAWGGBALIAKTQ-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1)C(C)C ZINC001106776303 1366794707 /nfs/dbraw/zinc/79/47/07/1366794707.db2.gz GFJWEMXABUWLEC-QRVBRYPASA-N 2 0 337.552 3.003 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898537 1366827322 /nfs/dbraw/zinc/82/73/22/1366827322.db2.gz IRMLLWBEJRKQBF-JNVNVXKGSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC001106905631 1366829199 /nfs/dbraw/zinc/82/91/99/1366829199.db2.gz ZQKZSGSWVAZAHE-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](CC)c2ccccc2)[C@H](C)C1 ZINC001106908068 1366830267 /nfs/dbraw/zinc/83/02/67/1366830267.db2.gz OIVFQLFWMNLJJH-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439415 1366963618 /nfs/dbraw/zinc/96/36/18/1366963618.db2.gz ZZNQORQYQMJVJQ-SKCPSPIOSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444616 1366965373 /nfs/dbraw/zinc/96/53/73/1366965373.db2.gz RQKVTZHMNYXBGG-VWICVCDTSA-N 2 0 349.563 3.290 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189470469 1367031775 /nfs/dbraw/zinc/03/17/75/1367031775.db2.gz JATZXIZXTKGGJA-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107586925 1367058750 /nfs/dbraw/zinc/05/87/50/1367058750.db2.gz DZFHUDNEUWLZTI-FBBABVLZSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001107632208 1367084584 /nfs/dbraw/zinc/08/45/84/1367084584.db2.gz WHAWLJJTFYTQNM-WAOWUJCRSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001107634175 1367085574 /nfs/dbraw/zinc/08/55/74/1367085574.db2.gz NUXKLXHBAJWASR-TZIWHRDSSA-N 2 0 347.547 3.023 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428137 1367115935 /nfs/dbraw/zinc/11/59/35/1367115935.db2.gz OTEUBKTVYFEMJH-HVZOKFKCSA-N 2 0 335.536 3.041 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489344 1367155588 /nfs/dbraw/zinc/15/55/88/1367155588.db2.gz RQMVCWJWMMHDBE-RBLOLEQCSA-N 2 0 338.455 3.026 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190084751 1367168788 /nfs/dbraw/zinc/16/87/88/1367168788.db2.gz RQSVSHRTPRPJNR-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560952 1367198668 /nfs/dbraw/zinc/19/86/68/1367198668.db2.gz ZDXVKYHDTICRFG-QYZOEREBSA-N 2 0 347.547 3.186 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212913 1367200965 /nfs/dbraw/zinc/20/09/65/1367200965.db2.gz OCONXJAOGOCCDM-YIYNPQHWSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001109653701 1367265399 /nfs/dbraw/zinc/26/53/99/1367265399.db2.gz CNKQVIFRSDDHAA-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)[NH+](CC)CC ZINC001109714486 1367290583 /nfs/dbraw/zinc/29/05/83/1367290583.db2.gz MHDOGXTZSAYMRD-FYQPLNBISA-N 2 0 349.563 3.409 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656327 1367320676 /nfs/dbraw/zinc/32/06/76/1367320676.db2.gz RZSKKJULIYDIMI-OALUTQOASA-N 2 0 335.536 3.116 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001109865293 1367370959 /nfs/dbraw/zinc/37/09/59/1367370959.db2.gz NVDHAUTVESVSFJ-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC001191029772 1367405388 /nfs/dbraw/zinc/40/53/88/1367405388.db2.gz NIYGKKDRXRSOSC-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080536 1367419242 /nfs/dbraw/zinc/41/92/42/1367419242.db2.gz IMWFEKMKYICOBX-ILWWCXPUSA-N 2 0 349.563 3.386 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001110002552 1367453795 /nfs/dbraw/zinc/45/37/95/1367453795.db2.gz LEOVKDJLZWSDGK-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002713 1367454109 /nfs/dbraw/zinc/45/41/09/1367454109.db2.gz QWRDRVMVIDKTNU-LMCOJAPRSA-N 2 0 343.515 3.201 20 0 EGADRP Cc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC001191259194 1367461552 /nfs/dbraw/zinc/46/15/52/1367461552.db2.gz SWKVDYSDEIDDRO-QGZVFWFLSA-N 2 0 335.467 3.269 20 0 EGADRP C[NH+](CCC(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)C1CCCCC1 ZINC001191551518 1367525818 /nfs/dbraw/zinc/52/58/18/1367525818.db2.gz NHPKFHVBIKKWPX-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560568 1367527891 /nfs/dbraw/zinc/52/78/91/1367527891.db2.gz GSKRPXXSMIMNKC-SFHVURJKSA-N 2 0 337.552 3.364 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108734831 1367565609 /nfs/dbraw/zinc/56/56/09/1367565609.db2.gz YQWKUIQTENOGAW-NSHGMRRFSA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749476 1367572840 /nfs/dbraw/zinc/57/28/40/1367572840.db2.gz BPBXRHLLDJNLIP-OJUCNMNVSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001108754910 1367575973 /nfs/dbraw/zinc/57/59/73/1367575973.db2.gz QJIYVLRKWJVCKX-DCQFVOAKSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108804802 1367606829 /nfs/dbraw/zinc/60/68/29/1367606829.db2.gz YOLFTLFAYMYUEC-BKFNIVOESA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986803 1367656170 /nfs/dbraw/zinc/65/61/70/1367656170.db2.gz BVNOFUSGCZVBJJ-DVBCCOPCSA-N 2 0 347.503 3.234 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030393 1367669437 /nfs/dbraw/zinc/66/94/37/1367669437.db2.gz QIKVUJDFSKHDFS-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP C[NH+](CCC1CCCC1)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407207 1367775332 /nfs/dbraw/zinc/77/53/32/1367775332.db2.gz SOQDBZFGFCKKIL-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCn2ccnc2C(C)C)C1 ZINC001192642627 1367840336 /nfs/dbraw/zinc/84/03/36/1367840336.db2.gz VZKGQXKODIPDCE-QGZVFWFLSA-N 2 0 334.508 3.120 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCCCC)C1 ZINC001192907207 1367901041 /nfs/dbraw/zinc/90/10/41/1367901041.db2.gz UIPAWGKKNNLRNE-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C(C)C ZINC001192916671 1367904006 /nfs/dbraw/zinc/90/40/06/1367904006.db2.gz BLGPQEBYDJTTSI-VQTJNVASSA-N 2 0 345.531 3.086 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)C(C)C ZINC001192918384 1367904860 /nfs/dbraw/zinc/90/48/60/1367904860.db2.gz ZKLIFIGTYOYQFE-MSOLQXFVSA-N 2 0 339.568 3.322 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001110683283 1367925353 /nfs/dbraw/zinc/92/53/53/1367925353.db2.gz YDGGLVHNKIOJRP-NMLBUPMWSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110710136 1367941870 /nfs/dbraw/zinc/94/18/70/1367941870.db2.gz YKDKMJIQWKZCEW-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001110736932 1367954652 /nfs/dbraw/zinc/95/46/52/1367954652.db2.gz SSOINKDZNQTYNM-QRVBRYPASA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754219 1367961065 /nfs/dbraw/zinc/96/10/65/1367961065.db2.gz JRQFVWISBMPKPP-MIIYPZDFSA-N 2 0 347.547 3.185 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)CC1 ZINC001193205031 1367966179 /nfs/dbraw/zinc/96/61/79/1367966179.db2.gz QCKZXLOWDKCEJC-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cccc2c1C[N@H+](Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC001193355777 1368007470 /nfs/dbraw/zinc/00/74/70/1368007470.db2.gz ZPECELRMIUNCPU-UHFFFAOYSA-N 2 0 336.479 3.386 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857869 1368037881 /nfs/dbraw/zinc/03/78/81/1368037881.db2.gz URDLVOLPYTZIOC-MKXGPGLRSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110857938 1368038047 /nfs/dbraw/zinc/03/80/47/1368038047.db2.gz XORSNUVYUHHNNN-AQNXPRMDSA-N 2 0 347.547 3.329 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001193500302 1368047088 /nfs/dbraw/zinc/04/70/88/1368047088.db2.gz RZJYHRLOIVQQNV-MRXNPFEDSA-N 2 0 346.519 3.120 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193571266 1368064672 /nfs/dbraw/zinc/06/46/72/1368064672.db2.gz RDSMXIPMAAEPRH-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2CC)C1 ZINC001193601338 1368071985 /nfs/dbraw/zinc/07/19/85/1368071985.db2.gz ZNDCFPKSJXRQQG-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193639532 1368081352 /nfs/dbraw/zinc/08/13/52/1368081352.db2.gz AKUKSVHSQSWTFC-MOPGFXCFSA-N 2 0 345.531 3.239 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959130 1368124655 /nfs/dbraw/zinc/12/46/55/1368124655.db2.gz FKKGVYWYDYQMRB-CUDHKJQZSA-N 2 0 343.515 3.119 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001111018326 1368144489 /nfs/dbraw/zinc/14/44/89/1368144489.db2.gz QVOXUVVJRQRNAF-BDXSIMOUSA-N 2 0 337.552 3.265 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145525 1368164199 /nfs/dbraw/zinc/16/41/99/1368164199.db2.gz KUKOJLJVPLGBFZ-AQNXPRMDSA-N 2 0 343.515 3.274 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001111233310 1368209028 /nfs/dbraw/zinc/20/90/28/1368209028.db2.gz MAABLFOAWSPFJX-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227908 1368212506 /nfs/dbraw/zinc/21/25/06/1368212506.db2.gz OHIAUPLQJLTXTI-PXDRNWIDSA-N 2 0 343.515 3.251 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)c1 ZINC001194228695 1368212928 /nfs/dbraw/zinc/21/29/28/1368212928.db2.gz SMOJAENVWGMQPX-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229444 1368213134 /nfs/dbraw/zinc/21/31/34/1368213134.db2.gz XJPJUEAIPMYEDM-UYAOXDASSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001111466534 1368312143 /nfs/dbraw/zinc/31/21/43/1368312143.db2.gz YWWDGGYGPWYJFV-AQNXPRMDSA-N 2 0 349.563 3.409 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111463411 1368312229 /nfs/dbraw/zinc/31/22/29/1368312229.db2.gz PWSUFGRQCOEOOZ-AKHDSKFASA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891540 1368536629 /nfs/dbraw/zinc/53/66/29/1368536629.db2.gz XAOPUQJQRKOQQS-FPOVZHCZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001196342003 1368593774 /nfs/dbraw/zinc/59/37/74/1368593774.db2.gz UMLBEJGMTIJZEH-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388953 1368604361 /nfs/dbraw/zinc/60/43/61/1368604361.db2.gz XJPBTSGHYGISAM-HCZHMGAMSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112018086 1368621365 /nfs/dbraw/zinc/62/13/65/1368621365.db2.gz ZZOJQCAWPMNDTD-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619930 1368651285 /nfs/dbraw/zinc/65/12/85/1368651285.db2.gz PMBIWYKAUHKZIL-FBQMEGEOSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197404315 1368807283 /nfs/dbraw/zinc/80/72/83/1368807283.db2.gz XQMVNSGDDHRIOF-OALUTQOASA-N 2 0 335.536 3.118 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](CC2=CCCCC2)CC1)C(C)C ZINC001197484434 1368823988 /nfs/dbraw/zinc/82/39/88/1368823988.db2.gz DHCHHXCKRXNVOJ-HXUWFJFHSA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401469 1368825641 /nfs/dbraw/zinc/82/56/41/1368825641.db2.gz GLIHJCFPPYUKOH-MWZYOKOPSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CC2CCCCCC2)CC1 ZINC001197907995 1368922352 /nfs/dbraw/zinc/92/23/52/1368922352.db2.gz OOOQUWMBAJYTJJ-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CCCC2CCCC2)CC1 ZINC001197908270 1368922903 /nfs/dbraw/zinc/92/29/03/1368922903.db2.gz VPCVXPQEPKZUNQ-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC)C1 ZINC001112561209 1368928312 /nfs/dbraw/zinc/92/83/12/1368928312.db2.gz MBPKSJMWOFVDFW-ZVDOUQERSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586140 1368938089 /nfs/dbraw/zinc/93/80/89/1368938089.db2.gz JJOFDSZVCFWBRX-QGELVWPYSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584999 1368938341 /nfs/dbraw/zinc/93/83/41/1368938341.db2.gz UETVTEBJPOQACS-ZJOUEHCJSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001112589452 1368939564 /nfs/dbraw/zinc/93/95/64/1368939564.db2.gz AEZBQGAURPWFAU-FPOVZHCZSA-N 2 0 349.563 3.271 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001198243304 1368987281 /nfs/dbraw/zinc/98/72/81/1368987281.db2.gz GSWAXXLBYAFEPX-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364396 1369017400 /nfs/dbraw/zinc/01/74/00/1369017400.db2.gz UFKAPSKHEAKNCD-ARJAWSKDSA-N 2 0 335.536 3.143 20 0 EGADRP CC(C)CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112855343 1369048972 /nfs/dbraw/zinc/04/89/72/1369048972.db2.gz SBFQPHPMJSZTEA-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[NH+]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966162 1369113044 /nfs/dbraw/zinc/11/30/44/1369113044.db2.gz UPCOJOJGOORZBX-LIXSYLKWSA-N 2 0 335.536 3.140 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605566 1387983873 /nfs/dbraw/zinc/98/38/73/1387983873.db2.gz PVDNJMMUXJDZJO-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577607 1369392644 /nfs/dbraw/zinc/39/26/44/1369392644.db2.gz BGWHBLMCQRCQSV-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200578564 1369393920 /nfs/dbraw/zinc/39/39/20/1369393920.db2.gz XFUGPDZBENGIIJ-SFHVURJKSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200578559 1369393942 /nfs/dbraw/zinc/39/39/42/1369393942.db2.gz XFPZPWPCSJDLFX-BBCKOWNQSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC001113401921 1369400325 /nfs/dbraw/zinc/40/03/25/1369400325.db2.gz XNAZWNLATUVOPC-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)C(C)C ZINC001113441837 1369431891 /nfs/dbraw/zinc/43/18/91/1369431891.db2.gz WWQLQJUQMZIDJI-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052024 1369472294 /nfs/dbraw/zinc/47/22/94/1369472294.db2.gz DFABUAWNUQRFPM-IBGZPJMESA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201398773 1369537331 /nfs/dbraw/zinc/53/73/31/1369537331.db2.gz ARZLPQRLQMHLHT-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201508518 1369560319 /nfs/dbraw/zinc/56/03/19/1369560319.db2.gz GEGTUXQSVVGWGY-RNQOJCNYSA-N 2 0 330.520 3.104 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001113680723 1369562422 /nfs/dbraw/zinc/56/24/22/1369562422.db2.gz RWAJZTFEEJVOCD-GOSISDBHSA-N 2 0 345.531 3.188 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793989 1369624918 /nfs/dbraw/zinc/62/49/18/1369624918.db2.gz PWHKZBAVNHPUOB-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001201802077 1369626487 /nfs/dbraw/zinc/62/64/87/1369626487.db2.gz ZNTGXYOYZADIIF-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CC[C@@H](C)CCC=C(C)C)CC2 ZINC001201974818 1369657196 /nfs/dbraw/zinc/65/71/96/1369657196.db2.gz FQNSAQNDKKRGLO-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)=CCC[C@@H](C)CC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001201980838 1369657728 /nfs/dbraw/zinc/65/77/28/1369657728.db2.gz GBAUUQBIYMPPRR-GOSISDBHSA-N 2 0 349.563 3.421 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001202496490 1369790153 /nfs/dbraw/zinc/79/01/53/1369790153.db2.gz SSUWBYOTDVRWME-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001202518450 1369797151 /nfs/dbraw/zinc/79/71/51/1369797151.db2.gz UYJFGXKIUXMDAY-SREVYHEPSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202862964 1369910851 /nfs/dbraw/zinc/91/08/51/1369910851.db2.gz HYBJTKIXJWURTF-PSCPARJHSA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186975367 1388033741 /nfs/dbraw/zinc/03/37/41/1388033741.db2.gz MTEJDSCWXSPURE-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202978429 1369944187 /nfs/dbraw/zinc/94/41/87/1369944187.db2.gz HKPFYNZXBIWQHG-HOTGVXAUSA-N 2 0 349.544 3.240 20 0 EGADRP OCc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001203187111 1370016359 /nfs/dbraw/zinc/01/63/59/1370016359.db2.gz JQPYKPPDOQEOST-UHFFFAOYSA-N 2 0 340.467 3.260 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259846 1370046515 /nfs/dbraw/zinc/04/65/15/1370046515.db2.gz YNLSHRIJYNRAJG-SJORKVTESA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313485 1370078140 /nfs/dbraw/zinc/07/81/40/1370078140.db2.gz RMXWWIWFAVMCGD-XLIONFOSSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH2+]CCC2CC2)CC1)c1ccccc1 ZINC001203313204 1370078307 /nfs/dbraw/zinc/07/83/07/1370078307.db2.gz OEOKVFBTOOHTEJ-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203631303 1370193933 /nfs/dbraw/zinc/19/39/33/1370193933.db2.gz LUSHTOAURCXTSJ-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203652551 1370202144 /nfs/dbraw/zinc/20/21/44/1370202144.db2.gz VOFPNYZEOXSJHP-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203742056 1370244602 /nfs/dbraw/zinc/24/46/02/1370244602.db2.gz LGIGUYYWJGSXCJ-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2 ZINC001203770904 1370257998 /nfs/dbraw/zinc/25/79/98/1370257998.db2.gz JVNHVFJSXPVZHC-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770159 1370258265 /nfs/dbraw/zinc/25/82/65/1370258265.db2.gz DRSQEKYFAIGAQQ-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203774039 1370260063 /nfs/dbraw/zinc/26/00/63/1370260063.db2.gz YGXXBJQHRMRQSA-MOPGFXCFSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203791186 1370266058 /nfs/dbraw/zinc/26/60/58/1370266058.db2.gz DUWBOGYQQUBHTK-RTBURBONSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001203969714 1370335416 /nfs/dbraw/zinc/33/54/16/1370335416.db2.gz CPNDKZIJBGMFKU-LEWJYISDSA-N 2 0 345.531 3.076 20 0 EGADRP COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268251 1370427067 /nfs/dbraw/zinc/42/70/67/1370427067.db2.gz HCPZCHYQTRPXJP-IBGZPJMESA-N 2 0 334.504 3.408 20 0 EGADRP CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538387 1370535684 /nfs/dbraw/zinc/53/56/84/1370535684.db2.gz GKHBQZCWQQPMAC-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCCC1 ZINC001115559797 1370560173 /nfs/dbraw/zinc/56/01/73/1370560173.db2.gz JYCUEUXATMRTOZ-UHFFFAOYSA-N 2 0 337.533 3.242 20 0 EGADRP [NH3+]CCCCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001204748280 1370564152 /nfs/dbraw/zinc/56/41/52/1370564152.db2.gz HQPINMPYAIGVKM-UHFFFAOYSA-N 2 0 329.410 3.347 20 0 EGADRP [NH3+]CCCCCC[NH+]1CCN(c2ccc(F)c(Cl)c2F)CC1 ZINC001204763461 1370570672 /nfs/dbraw/zinc/57/06/72/1370570672.db2.gz LGTIVPVICXDHRQ-UHFFFAOYSA-N 2 0 331.838 3.259 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCCC1 ZINC001115592130 1370593115 /nfs/dbraw/zinc/59/31/15/1370593115.db2.gz USCCYCFOBGTAKX-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115596593 1370597121 /nfs/dbraw/zinc/59/71/21/1370597121.db2.gz NVYJRHOXSDENFV-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115596428 1370597138 /nfs/dbraw/zinc/59/71/38/1370597138.db2.gz GQMZSZLIMZWMNE-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617463 1370613991 /nfs/dbraw/zinc/61/39/91/1370613991.db2.gz XOMPCSDTIFVLQU-UHFFFAOYSA-N 2 0 328.460 3.157 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001205001921 1370624864 /nfs/dbraw/zinc/62/48/64/1370624864.db2.gz XQPHTYNPBOMNQK-OAHLLOKOSA-N 2 0 325.294 3.313 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205008844 1370627052 /nfs/dbraw/zinc/62/70/52/1370627052.db2.gz FKNKIZRUZIJGTI-LBPRGKRZSA-N 2 0 336.277 3.362 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)CCC[NH+](C)C)CCCCC2)cc1 ZINC001115697771 1370679447 /nfs/dbraw/zinc/67/94/47/1370679447.db2.gz LPBTXMFXPVHBPI-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708163 1370687507 /nfs/dbraw/zinc/68/75/07/1370687507.db2.gz RJWXWWSSQJKMDW-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2sccc2Oc2ccccc2)CC1 ZINC001205228646 1370688856 /nfs/dbraw/zinc/68/88/56/1370688856.db2.gz GVCZWQPYXZJSBC-GOSISDBHSA-N 2 0 332.469 3.216 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c(F)cccc2Oc2ccccc2)CC1 ZINC001205241215 1370692413 /nfs/dbraw/zinc/69/24/13/1370692413.db2.gz RTFFZJUYDUAJQQ-FQEVSTJZSA-N 2 0 344.430 3.294 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242396 1370693103 /nfs/dbraw/zinc/69/31/03/1370693103.db2.gz OGJZYSINQAXTHR-HCZHMGAMSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205284533 1370706567 /nfs/dbraw/zinc/70/65/67/1370706567.db2.gz NKFAHXRHNNWQGK-WAYWQWQTSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726539 1370707156 /nfs/dbraw/zinc/70/71/56/1370707156.db2.gz HJVAAAURSFZMAQ-IRXDYDNUSA-N 2 0 343.531 3.264 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001115729332 1370710730 /nfs/dbraw/zinc/71/07/30/1370710730.db2.gz ATBBIQYVAQYUIY-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115730898 1370714041 /nfs/dbraw/zinc/71/40/41/1370714041.db2.gz UEXXENJCFMMBGH-SJORKVTESA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C[C@H]1C[NH3+] ZINC001205306342 1370714954 /nfs/dbraw/zinc/71/49/54/1370714954.db2.gz VOORKRCBQGLNLM-DGCLKSJQSA-N 2 0 334.357 3.340 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC001205305870 1370715588 /nfs/dbraw/zinc/71/55/88/1370715588.db2.gz TUBFCMNIOXWJMJ-GXTWGEPZSA-N 2 0 348.288 3.414 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC001205318346 1370720303 /nfs/dbraw/zinc/72/03/03/1370720303.db2.gz UJYYHMUTEGVXSA-HUUCEWRRSA-N 2 0 328.456 3.274 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001187298382 1388090994 /nfs/dbraw/zinc/09/09/94/1388090994.db2.gz FZSFFGMXEBVJFP-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420544 1370749503 /nfs/dbraw/zinc/74/95/03/1370749503.db2.gz ZMNDRPSQTIXLQB-HCZHMGAMSA-N 2 0 349.563 3.435 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115769032 1370753339 /nfs/dbraw/zinc/75/33/39/1370753339.db2.gz SLJMISLMBZSHCI-QZTJIDSGSA-N 2 0 335.536 3.212 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462180 1370763412 /nfs/dbraw/zinc/76/34/12/1370763412.db2.gz UURURBZLEYTSDQ-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483439 1370768640 /nfs/dbraw/zinc/76/86/40/1370768640.db2.gz DHXUUCVZKXHYHK-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](CCc2ccc(Br)cc2)CC1 ZINC001205538892 1370784961 /nfs/dbraw/zinc/78/49/61/1370784961.db2.gz QWDLBGMCFHAYKM-OAHLLOKOSA-N 2 0 329.257 3.145 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205559940 1370790886 /nfs/dbraw/zinc/79/08/86/1370790886.db2.gz XLJUJHNZXZMRSG-HXUWFJFHSA-N 2 0 344.478 3.201 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001205578438 1370797412 /nfs/dbraw/zinc/79/74/12/1370797412.db2.gz BYFDPGRUEFOIIV-KRWDZBQOSA-N 2 0 336.842 3.179 20 0 EGADRP c1cc2cc(C[N@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc2[nH]1 ZINC001205576665 1370797732 /nfs/dbraw/zinc/79/77/32/1370797732.db2.gz AEBGODIVVWEDMA-UHFFFAOYSA-N 2 0 349.482 3.019 20 0 EGADRP c1cc(C[NH+]2CCCCC2)c(-c2ccc(N3CC[NH2+]CC3)cc2)cn1 ZINC001205599974 1370806528 /nfs/dbraw/zinc/80/65/28/1370806528.db2.gz FUCZXQICMXEIDS-UHFFFAOYSA-N 2 0 336.483 3.144 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1OCC1CC1 ZINC001205603558 1370807959 /nfs/dbraw/zinc/80/79/59/1370807959.db2.gz QGIUQDBCKKTOPX-LJQANCHMSA-N 2 0 336.451 3.137 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)nc2)CC[C@H]1C[NH3+] ZINC001205625948 1370816296 /nfs/dbraw/zinc/81/62/96/1370816296.db2.gz CUEQIZJFFXWTBC-ZBFHGGJFSA-N 2 0 328.435 3.090 20 0 EGADRP C[C@H]1CC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC[C@H]1C[NH3+] ZINC001205627572 1370817661 /nfs/dbraw/zinc/81/76/61/1370817661.db2.gz QVYYELORUHDDBV-STQMWFEESA-N 2 0 342.940 3.204 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205637404 1370821974 /nfs/dbraw/zinc/82/19/74/1370821974.db2.gz GVUUDQSINJKMGT-GJZGRUSLSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205654195 1370829674 /nfs/dbraw/zinc/82/96/74/1370829674.db2.gz WRGHXXNJONKIGM-GDBMZVCRSA-N 2 0 332.879 3.333 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1OC(F)(F)F ZINC001205663345 1370833636 /nfs/dbraw/zinc/83/36/36/1370833636.db2.gz HWQJALLBWUQPSC-TZMCWYRMSA-N 2 0 346.393 3.401 20 0 EGADRP C[N@@H+]1CCc2cc(-c3ccc(CC[NH+]4CCOCC4)cc3)ccc2C1 ZINC001205671042 1370838059 /nfs/dbraw/zinc/83/80/59/1370838059.db2.gz BKPBPIKJDJWJGY-UHFFFAOYSA-N 2 0 336.479 3.216 20 0 EGADRP c1cc(-c2ccc([C@@H]3CC[NH2+]C3)cc2)ccc1CC[NH+]1CCOCC1 ZINC001205679245 1370840795 /nfs/dbraw/zinc/84/07/95/1370840795.db2.gz GODZKYMSOCBRFQ-JOCHJYFZSA-N 2 0 336.479 3.305 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001205688377 1370843244 /nfs/dbraw/zinc/84/32/44/1370843244.db2.gz GUUUXNWLVISVTK-FQEVSTJZSA-N 2 0 344.430 3.294 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001205734559 1370854356 /nfs/dbraw/zinc/85/43/56/1370854356.db2.gz FGKFMBLTRFEHKE-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)no2)cc1 ZINC001205996714 1370933772 /nfs/dbraw/zinc/93/37/72/1370933772.db2.gz XVZXYHLKHFYGFF-ZBFHGGJFSA-N 2 0 329.444 3.157 20 0 EGADRP COc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC001326039620 1388103458 /nfs/dbraw/zinc/10/34/58/1388103458.db2.gz RYTPAMLEFWOLSX-PCCBWWKXSA-N 2 0 343.515 3.174 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Br)c1 ZINC001206003254 1370935658 /nfs/dbraw/zinc/93/56/58/1370935658.db2.gz GDPLHYZLZPIESF-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206003680 1370935746 /nfs/dbraw/zinc/93/57/46/1370935746.db2.gz LATWMKIVZXSGFH-WCQYABFASA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC[C@H]1C[NH3+] ZINC001206004148 1370935800 /nfs/dbraw/zinc/93/58/00/1370935800.db2.gz QSUVPYMAXAXRKN-QAPCUYQASA-N 2 0 332.488 3.449 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccn2)CCC[C@@H]1C[NH3+] ZINC001206013726 1370939299 /nfs/dbraw/zinc/93/92/99/1370939299.db2.gz TZXJNMGSQMYJKL-PKOBYXMFSA-N 2 0 339.483 3.467 20 0 EGADRP CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206023981 1370941097 /nfs/dbraw/zinc/94/10/97/1370941097.db2.gz VPTPLZKJDWLDNI-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206023192 1370941517 /nfs/dbraw/zinc/94/15/17/1370941517.db2.gz DOGONAJMVDRFTA-GDBMZVCRSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@H]1C[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CCC[C@H]1C[NH3+] ZINC001206024590 1370942358 /nfs/dbraw/zinc/94/23/58/1370942358.db2.gz KJJLKZPXDSOVKA-ZFWWWQNUSA-N 2 0 331.485 3.323 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206079597 1370956619 /nfs/dbraw/zinc/95/66/19/1370956619.db2.gz MOPSDMZFGIYGJE-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2c(OC)cccc12 ZINC001206166638 1370977232 /nfs/dbraw/zinc/97/72/32/1370977232.db2.gz TWHRKWRHVCPJNQ-HZPDHXFCSA-N 2 0 332.419 3.118 20 0 EGADRP COc1ccccc1C1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCC1 ZINC001116928036 1371002729 /nfs/dbraw/zinc/00/27/29/1371002729.db2.gz ICBSBOAXLMBVSJ-UHFFFAOYSA-N 2 0 345.531 3.080 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)C1 ZINC001206287858 1371013419 /nfs/dbraw/zinc/01/34/19/1371013419.db2.gz KTDLAOSOBFKXLK-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)ncc1Br ZINC001206318274 1371019708 /nfs/dbraw/zinc/01/97/08/1371019708.db2.gz OXMJZXIQGAONKP-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP COc1ccc(-c2cnn(CC[NH+](C)C)c2)cc1C[NH+]1CCCCC1 ZINC001206373851 1371036359 /nfs/dbraw/zinc/03/63/59/1371036359.db2.gz SAYMFKHZNSZOHO-UHFFFAOYSA-N 2 0 342.487 3.106 20 0 EGADRP COc1cnccc1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001206479937 1371067318 /nfs/dbraw/zinc/06/73/18/1371067318.db2.gz BCQUVNOPRPDGBM-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481776 1371068715 /nfs/dbraw/zinc/06/87/15/1371068715.db2.gz KXJXNYXGGBORTL-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@]1(C[NH3+])CCCCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206541763 1371087720 /nfs/dbraw/zinc/08/77/20/1371087720.db2.gz JRWLRFCQHVEJIX-NHCUHLMSSA-N 2 0 329.532 3.350 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206548886 1371090186 /nfs/dbraw/zinc/09/01/86/1371090186.db2.gz RUEWYRNRNDKXHU-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cn1c2ccccc2c(Cl)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1=O ZINC001206564447 1371095547 /nfs/dbraw/zinc/09/55/47/1371095547.db2.gz NXARVAGAQWMTDF-LJQANCHMSA-N 2 0 347.890 3.143 20 0 EGADRP CCOC(=O)c1c(C)[nH]c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1C ZINC001206580086 1371099212 /nfs/dbraw/zinc/09/92/12/1371099212.db2.gz CCCONZWKJQYCIY-MRXNPFEDSA-N 2 0 335.492 3.161 20 0 EGADRP COC(=O)c1ccc2c(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c[nH]c2c1 ZINC001206590999 1371102528 /nfs/dbraw/zinc/10/25/28/1371102528.db2.gz OYVIQLZFYGMZTK-KRWDZBQOSA-N 2 0 343.471 3.307 20 0 EGADRP [NH3+]C[C@@H]1CCCCN(Cc2cncc(OCc3ccccc3)c2)C1 ZINC001206648063 1371118470 /nfs/dbraw/zinc/11/84/70/1371118470.db2.gz LMCFFLOUKLWVDI-SFHVURJKSA-N 2 0 325.456 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001206653675 1371121939 /nfs/dbraw/zinc/12/19/39/1371121939.db2.gz MBSHLYOYSDRVLQ-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCCCC3)C2)[C@H](n2cncn2)C1 ZINC001118493244 1371189324 /nfs/dbraw/zinc/18/93/24/1371189324.db2.gz RKSLBEVVWWNTNP-KCITZHQASA-N 2 0 331.508 3.004 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206876372 1371201626 /nfs/dbraw/zinc/20/16/26/1371201626.db2.gz ZDSWANFKDPDJHH-UHFFFAOYSA-N 2 0 346.519 3.026 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC001206889411 1371209580 /nfs/dbraw/zinc/20/95/80/1371209580.db2.gz QCJNODSPJATSRU-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001206928605 1371229965 /nfs/dbraw/zinc/22/99/65/1371229965.db2.gz BNDFYOMMTWFJJG-FQEVSTJZSA-N 2 0 343.515 3.062 20 0 EGADRP Fc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001207038882 1371274625 /nfs/dbraw/zinc/27/46/25/1371274625.db2.gz OGFQHEFSDZRFNJ-UHFFFAOYSA-N 2 0 340.446 3.104 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@H]2CCCC[C@@H]2N(C)C)CC1 ZINC001119238028 1371288360 /nfs/dbraw/zinc/28/83/60/1371288360.db2.gz VUQQIYMQFWHPLH-ROUUACIJSA-N 2 0 331.504 3.126 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(C(F)F)c3)CC2)CC1 ZINC001207132924 1371304430 /nfs/dbraw/zinc/30/44/30/1371304430.db2.gz OBSPAMQRRRFEHA-UHFFFAOYSA-N 2 0 337.458 3.084 20 0 EGADRP C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207278928 1371349129 /nfs/dbraw/zinc/34/91/29/1371349129.db2.gz HDZYVAMSLJIGLE-HOTGVXAUSA-N 2 0 341.540 3.199 20 0 EGADRP OC[C@@]1(F)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286860 1371351860 /nfs/dbraw/zinc/35/18/60/1371351860.db2.gz OFTPLTJTYCJUSL-HXUWFJFHSA-N 2 0 334.479 3.085 20 0 EGADRP CCOC(=O)[C@@H]1CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291874 1371352802 /nfs/dbraw/zinc/35/28/02/1371352802.db2.gz DLMUKKMHGGGIFY-HXUWFJFHSA-N 2 0 344.499 3.174 20 0 EGADRP O=C1CCC[C@@H]2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001207293937 1371354357 /nfs/dbraw/zinc/35/43/57/1371354357.db2.gz CXZZRLSSVOPQEB-UXHICEINSA-N 2 0 326.484 3.200 20 0 EGADRP COC1CC[NH+](C2CC[NH+](CC3CCC(F)(F)CC3)CC2)CC1 ZINC001207350554 1371368873 /nfs/dbraw/zinc/36/88/73/1371368873.db2.gz PYYDLJBMWIGUTG-UHFFFAOYSA-N 2 0 330.463 3.387 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@H]1CCOC(C)(C)C1 ZINC001207362465 1371374360 /nfs/dbraw/zinc/37/43/60/1371374360.db2.gz IBDHGBSQYUUNFG-IBGZPJMESA-N 2 0 341.584 3.177 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207399867 1371385044 /nfs/dbraw/zinc/38/50/44/1371385044.db2.gz XOPHCWNVBQZUOP-WOJBJXKFSA-N 2 0 344.499 3.140 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@@H+]1CCC[C@H](C)C1 ZINC001119700955 1371390796 /nfs/dbraw/zinc/39/07/96/1371390796.db2.gz CHMBNASJGIRNAM-DLBZAZTESA-N 2 0 347.503 3.116 20 0 EGADRP Cc1cc(N2CC[NH+](C[C@@H]3CCCOC3)CC2)c2ccccc2[nH+]1 ZINC001207460682 1371401937 /nfs/dbraw/zinc/40/19/37/1371401937.db2.gz GOALWKMKKGCEIY-KRWDZBQOSA-N 2 0 325.456 3.092 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001207487828 1371410573 /nfs/dbraw/zinc/41/05/73/1371410573.db2.gz UAVJLDIKWZYTGV-QFIPXVFZSA-N 2 0 341.543 3.459 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207487800 1371410869 /nfs/dbraw/zinc/41/08/69/1371410869.db2.gz SAFJNRYZQZPFSD-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@H+](C1CCOCC1)C1CCN(CCCc2ccccc2F)CC1 ZINC001207494300 1371414268 /nfs/dbraw/zinc/41/42/68/1371414268.db2.gz BHDZETQIOVHUHX-UHFFFAOYSA-N 2 0 334.479 3.334 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540726 1371430236 /nfs/dbraw/zinc/43/02/36/1371430236.db2.gz BQOIUXLCRFGMFS-FJLVLMHFSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563351 1371435948 /nfs/dbraw/zinc/43/59/48/1371435948.db2.gz QFKAUXDVMXEPOS-AHRSYUTCSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c(Cl)nc4ccccn43)C[C@@H]2C1 ZINC001119990767 1371445397 /nfs/dbraw/zinc/44/53/97/1371445397.db2.gz YNEATYBWKLUPBK-SOUVJXGZSA-N 2 0 332.879 3.150 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001120046207 1371468134 /nfs/dbraw/zinc/46/81/34/1371468134.db2.gz QXLOVQFUMRGYPV-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3csc(C(F)(F)F)n3)C[C@@H]2C1 ZINC001120070898 1371477643 /nfs/dbraw/zinc/47/76/43/1371477643.db2.gz CTPNJFKMHFMGJD-NTZNESFSSA-N 2 0 333.423 3.324 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120140931 1371494385 /nfs/dbraw/zinc/49/43/85/1371494385.db2.gz PZGOOBRJISYVEI-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790197 1371504845 /nfs/dbraw/zinc/50/48/45/1371504845.db2.gz MZSDXOUGILAESB-LZLYRXPVSA-N 2 0 337.552 3.122 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCCC2(CC[NH2+]CC2)C1)CC1CCCCC1 ZINC001326289918 1388143527 /nfs/dbraw/zinc/14/35/27/1388143527.db2.gz YSJRQEILDJWMSY-GOSISDBHSA-N 2 0 335.536 3.057 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120403199 1371563202 /nfs/dbraw/zinc/56/32/02/1371563202.db2.gz WISDPPQDFGZIIX-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120412050 1371564386 /nfs/dbraw/zinc/56/43/86/1371564386.db2.gz DFECTULDUWZOOO-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421879 1371569397 /nfs/dbraw/zinc/56/93/97/1371569397.db2.gz FUWGOCPWZBSCRX-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC001120440831 1371578134 /nfs/dbraw/zinc/57/81/34/1371578134.db2.gz UDCYATMOQXWSMB-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048367 1371579401 /nfs/dbraw/zinc/57/94/01/1371579401.db2.gz HEZVJDKXBYYIFG-DUMMIQTOSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459998 1371584378 /nfs/dbraw/zinc/58/43/78/1371584378.db2.gz OMUKOEDPZPBNBZ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105651 1371597156 /nfs/dbraw/zinc/59/71/56/1371597156.db2.gz ARLCBGHCTOBLPU-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208112832 1371598484 /nfs/dbraw/zinc/59/84/84/1371598484.db2.gz ZNCWMVRCMVCFOW-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208112797 1371598871 /nfs/dbraw/zinc/59/88/71/1371598871.db2.gz YTRRIVGESNIGDG-GOSISDBHSA-N 2 0 336.520 3.164 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128809 1371604470 /nfs/dbraw/zinc/60/44/70/1371604470.db2.gz IDIIJAWWDWAFTE-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331548 1371720485 /nfs/dbraw/zinc/72/04/85/1371720485.db2.gz UAOANNGVAUULBB-WYNBNGFRSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001208447074 1371768666 /nfs/dbraw/zinc/76/86/66/1371768666.db2.gz HCQCPHWXACLTBH-YJBOKZPZSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001208447071 1371768921 /nfs/dbraw/zinc/76/89/21/1371768921.db2.gz HCQCPHWXACLTBH-CRAIPNDOSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001208453387 1371771864 /nfs/dbraw/zinc/77/18/64/1371771864.db2.gz GCVIBTJPLJHZIX-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001208453886 1371772947 /nfs/dbraw/zinc/77/29/47/1371772947.db2.gz QUQOUFXGLROOBQ-LJQANCHMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C)[NH+](CC)CC ZINC001208574576 1371823646 /nfs/dbraw/zinc/82/36/46/1371823646.db2.gz AHGOUXZZCOUJHW-QRQLOZEOSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+]1CCC(N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588597 1371829532 /nfs/dbraw/zinc/82/95/32/1371829532.db2.gz JEMQANFQYVLRIR-NRFANRHFSA-N 2 0 329.532 3.457 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001208606740 1371838433 /nfs/dbraw/zinc/83/84/33/1371838433.db2.gz GUCUPSPOOJEXNO-SESVDKBCSA-N 2 0 328.500 3.367 20 0 EGADRP c1cncc(C[NH+]2CCO[C@@H]3C[N@H+](CCC4CCCC4)CC[C@@H]3C2)c1 ZINC001208694907 1371864882 /nfs/dbraw/zinc/86/48/82/1371864882.db2.gz DMKKKCMUBSAXOB-NHCUHLMSSA-N 2 0 343.515 3.185 20 0 EGADRP COc1ccc(CC[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1OC ZINC001208757846 1371885831 /nfs/dbraw/zinc/88/58/31/1371885831.db2.gz IRSUDGIUMPQSGN-UHFFFAOYSA-N 2 0 332.488 3.054 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@H]([NH2+]CCC3CCCC3)C2)CCCC1 ZINC001208769873 1371890519 /nfs/dbraw/zinc/89/05/19/1371890519.db2.gz MOUDFKRMDMONIC-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121232340 1371902143 /nfs/dbraw/zinc/90/21/43/1371902143.db2.gz DYXAQMBDAFKUFP-FCOWATRHSA-N 2 0 347.547 3.233 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121234331 1371903115 /nfs/dbraw/zinc/90/31/15/1371903115.db2.gz YHYJORSOOARWBN-FCOWATRHSA-N 2 0 349.563 3.457 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121261657 1371912317 /nfs/dbraw/zinc/91/23/17/1371912317.db2.gz ZLUMJENDIYCWGA-GEUNIFFNSA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121260862 1371912342 /nfs/dbraw/zinc/91/23/42/1371912342.db2.gz KNHHRXQQUYTAMD-FKIUZYAESA-N 2 0 347.547 3.234 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121295277 1371926261 /nfs/dbraw/zinc/92/62/61/1371926261.db2.gz XYIWWSHVMBLYQX-QAELIBMJSA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001121340895 1371942545 /nfs/dbraw/zinc/94/25/45/1371942545.db2.gz NHONSRQEKLGUQR-UHFFFAOYSA-N 2 0 340.471 3.073 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121348342 1371945847 /nfs/dbraw/zinc/94/58/47/1371945847.db2.gz WHCMJKULYXTURO-RBUNFDSBSA-N 2 0 349.563 3.170 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001121367479 1371951605 /nfs/dbraw/zinc/95/16/05/1371951605.db2.gz DOJDXAPPYMUYBB-IRRXANFSSA-N 2 0 340.471 3.011 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+]4CCCC[C@H]4C3)C2)cc1 ZINC001208936203 1371952224 /nfs/dbraw/zinc/95/22/24/1371952224.db2.gz MMPSSTAXOXICBK-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP C[N@H+](C1CC1)[C@@H]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208942906 1371957344 /nfs/dbraw/zinc/95/73/44/1371957344.db2.gz JXMWGCLBYVHEIJ-TZIWHRDSSA-N 2 0 327.516 3.067 20 0 EGADRP CCOC(=O)C[C@@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943224 1371957768 /nfs/dbraw/zinc/95/77/68/1371957768.db2.gz SCYAFGDSNXAORB-VQTJNVASSA-N 2 0 344.499 3.174 20 0 EGADRP C[N@@H+]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208946354 1371959283 /nfs/dbraw/zinc/95/92/83/1371959283.db2.gz UXPVCNKPJVOUBA-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP F[C@H]1COC2(C1)CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208952979 1371960762 /nfs/dbraw/zinc/96/07/62/1371960762.db2.gz NBLOXYPGPLVBIA-RBUKOAKNSA-N 2 0 332.463 3.102 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CCCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950287 1371961206 /nfs/dbraw/zinc/96/12/06/1371961206.db2.gz RLBKPFFSURCFOV-FGZHOGPDSA-N 2 0 341.543 3.459 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001121469023 1371984000 /nfs/dbraw/zinc/98/40/00/1371984000.db2.gz LLDAGADZLDLDSR-MBEFBZSESA-N 2 0 347.547 3.068 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209133477 1372009784 /nfs/dbraw/zinc/00/97/84/1372009784.db2.gz FDOFBKFBKZSKNN-IVCWSTDESA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(CC)CC)C2)C1 ZINC001209205706 1372037953 /nfs/dbraw/zinc/03/79/53/1372037953.db2.gz RGHMVVBZYOIAKQ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209278420 1372056177 /nfs/dbraw/zinc/05/61/77/1372056177.db2.gz PVAWDKWKRGPVGL-AEFFLSMTSA-N 2 0 349.519 3.218 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857894 1388178611 /nfs/dbraw/zinc/17/86/11/1388178611.db2.gz UQFZGXSPECLOKO-HWYAZIHESA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001121895281 1372116815 /nfs/dbraw/zinc/11/68/15/1372116815.db2.gz DLAOSVXHWJHJEF-JGQKGBITSA-N 2 0 347.547 3.066 20 0 EGADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001121916358 1372122171 /nfs/dbraw/zinc/12/21/71/1372122171.db2.gz WPKHWWLOLPTFRN-QWFCFKBJSA-N 2 0 337.552 3.111 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001121916347 1372122380 /nfs/dbraw/zinc/12/23/80/1372122380.db2.gz WLRSFVQALWLFCP-IPMKNSEASA-N 2 0 327.472 3.142 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121935325 1372127073 /nfs/dbraw/zinc/12/70/73/1372127073.db2.gz NCNZUYNTZBCZMP-CMDGGOBGSA-N 2 0 335.536 3.092 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001122024094 1372155113 /nfs/dbraw/zinc/15/51/13/1372155113.db2.gz XLJGEHZEYQKVIA-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642735 1372159949 /nfs/dbraw/zinc/15/99/49/1372159949.db2.gz OZNVPYXDBZLVNT-ATZDWAIDSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001122055345 1372163835 /nfs/dbraw/zinc/16/38/35/1372163835.db2.gz AVIBJHNXVJDFMY-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001122093817 1372172778 /nfs/dbraw/zinc/17/27/78/1372172778.db2.gz ILGPVBNZTQYFHN-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231827 1372207282 /nfs/dbraw/zinc/20/72/82/1372207282.db2.gz ZOROYROLOKGGHM-BZQJJPTISA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122249889 1372211710 /nfs/dbraw/zinc/21/17/10/1372211710.db2.gz ZZBWNZSVZVDYTL-UFQJCFOOSA-N 2 0 337.552 3.026 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001187921459 1388189977 /nfs/dbraw/zinc/18/99/77/1388189977.db2.gz IBLYTXFJLIQTOK-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)C(C)C ZINC001210189304 1372291510 /nfs/dbraw/zinc/29/15/10/1372291510.db2.gz AQHKKJOOXBFKQM-PMACEKPBSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921807 1388190426 /nfs/dbraw/zinc/19/04/26/1388190426.db2.gz ZDSVNZPSJPYERI-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP Clc1ccc2ncc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2c1 ZINC001210262647 1372308454 /nfs/dbraw/zinc/30/84/54/1372308454.db2.gz KGMUIJSZGJOTOJ-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP c1ccc(-c2cncc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)c2)cc1 ZINC001210262780 1372308605 /nfs/dbraw/zinc/30/86/05/1372308605.db2.gz LRBYXWLXYRHPKN-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP Clc1cccc2ncc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc12 ZINC001210262915 1372308721 /nfs/dbraw/zinc/30/87/21/1372308721.db2.gz OAGUQQRWFRUCDJ-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210493737 1372366175 /nfs/dbraw/zinc/36/61/75/1372366175.db2.gz OPMUGTLYZQDQOU-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210689345 1372408209 /nfs/dbraw/zinc/40/82/09/1372408209.db2.gz BMVYOCYZEGCDIU-IAGOWNOFSA-N 2 0 346.519 3.024 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210751445 1372419075 /nfs/dbraw/zinc/41/90/75/1372419075.db2.gz YNPJIXXCAXVDDZ-GPVYEGESSA-N 2 0 343.515 3.012 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001210750819 1372419315 /nfs/dbraw/zinc/41/93/15/1372419315.db2.gz MFDYVPKGAJWLCC-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001210782288 1372425272 /nfs/dbraw/zinc/42/52/72/1372425272.db2.gz KIFLUKBSFHNDOV-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210788674 1372426836 /nfs/dbraw/zinc/42/68/36/1372426836.db2.gz HNWCAMOBDXHILS-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001210796407 1372428205 /nfs/dbraw/zinc/42/82/05/1372428205.db2.gz FXVZERXVIBCBPX-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP CSc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC001210874047 1372443771 /nfs/dbraw/zinc/44/37/71/1372443771.db2.gz WFYTXXVSCTXPLM-UHFFFAOYSA-N 2 0 332.448 3.438 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094573 1372484726 /nfs/dbraw/zinc/48/47/26/1372484726.db2.gz GQQZAQKLGMOYHO-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001211286475 1372521322 /nfs/dbraw/zinc/52/13/22/1372521322.db2.gz UWDHTMMTJHDZNV-OALUTQOASA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444345 1372560425 /nfs/dbraw/zinc/56/04/25/1372560425.db2.gz WANBIFODALPUPH-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625668 1372592365 /nfs/dbraw/zinc/59/23/65/1372592365.db2.gz RBBPHFDTONOYGK-RBUKOAKNSA-N 2 0 345.531 3.101 20 0 EGADRP Clc1cccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)c1Cl ZINC001212320745 1372686086 /nfs/dbraw/zinc/68/60/86/1372686086.db2.gz YYCXEQCPZVJLBY-UHFFFAOYSA-N 2 0 341.242 3.133 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001212335923 1372689342 /nfs/dbraw/zinc/68/93/42/1372689342.db2.gz OJBPWTIBSHJFSU-AWEZNQCLSA-N 2 0 328.338 3.058 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001212336276 1372690660 /nfs/dbraw/zinc/69/06/60/1372690660.db2.gz YQEGQAQCSSTIKX-IBGZPJMESA-N 2 0 343.475 3.030 20 0 EGADRP Cc1nc2cc(Nc3c[nH+]ccc3N3CC[NH+](C)CC3)ccc2s1 ZINC001213037444 1372825292 /nfs/dbraw/zinc/82/52/92/1372825292.db2.gz WOTFNDYJGMKXTI-UHFFFAOYSA-N 2 0 339.468 3.495 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001215020221 1373157900 /nfs/dbraw/zinc/15/79/00/1373157900.db2.gz PEKLZVPUXABHGH-LZLYRXPVSA-N 2 0 337.552 3.122 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001216511186 1373312989 /nfs/dbraw/zinc/31/29/89/1373312989.db2.gz LXYMUTVXULMCKG-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772410 1373341129 /nfs/dbraw/zinc/34/11/29/1373341129.db2.gz BASZVNMSFNREBP-BGEOSOQGSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001129328771 1373372792 /nfs/dbraw/zinc/37/27/92/1373372792.db2.gz STXKUQHVGVVIGR-LJQANCHMSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001130306311 1373488003 /nfs/dbraw/zinc/48/80/03/1373488003.db2.gz VKGZMMKALBMMOM-JXFKEZNVSA-N 2 0 339.483 3.091 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc(-c2ccc(OCC(C)C)cc2)o1 ZINC001217703520 1373490913 /nfs/dbraw/zinc/49/09/13/1373490913.db2.gz VMGMVEKKAJGTSB-INIZCTEOSA-N 2 0 332.448 3.161 20 0 EGADRP C[C@@H]1CC[C@H](OC[C@@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C[NH2+]1 ZINC001217910252 1373511077 /nfs/dbraw/zinc/51/10/77/1373511077.db2.gz IDNDKJTUPSQJLZ-SLYNCCJLSA-N 2 0 346.515 3.213 20 0 EGADRP c1ccc(CC[NH+]2CCC(OCCC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001217901348 1373511108 /nfs/dbraw/zinc/51/11/08/1373511108.db2.gz NXLBVGYVIGGPTD-FQEVSTJZSA-N 2 0 330.516 3.490 20 0 EGADRP C[C@H]1C[NH2+]CC[C@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217916534 1373512224 /nfs/dbraw/zinc/51/22/24/1373512224.db2.gz IDZMNCDMURFENO-GHTZIAJQSA-N 2 0 346.515 3.456 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001130421857 1373531522 /nfs/dbraw/zinc/53/15/22/1373531522.db2.gz LRPQUVRUIUPUSQ-UHFFFAOYSA-N 2 0 341.499 3.084 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001130622727 1373571728 /nfs/dbraw/zinc/57/17/28/1373571728.db2.gz XICWZXYILYKHCW-IBGZPJMESA-N 2 0 345.531 3.497 20 0 EGADRP C[NH+](C)CC[C@H](Oc1ccccc1N1CC[NH2+]CC1)c1ccccc1 ZINC001218304797 1373591771 /nfs/dbraw/zinc/59/17/71/1373591771.db2.gz LKOVKXFPSQXQPR-FQEVSTJZSA-N 2 0 339.483 3.168 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)[C@]3(C)CC(C)(C)C[NH2+]3)cc2)CC1 ZINC001218823548 1373658042 /nfs/dbraw/zinc/65/80/42/1373658042.db2.gz IXUKUEFVTOMAKQ-FQEVSTJZSA-N 2 0 329.488 3.213 20 0 EGADRP CC(C)[C@]1(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)CCC[NH2+]C1 ZINC001218821070 1373658069 /nfs/dbraw/zinc/65/80/69/1373658069.db2.gz AZFSREHIQPCYLN-NRFANRHFSA-N 2 0 343.515 3.460 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001218938799 1373668230 /nfs/dbraw/zinc/66/82/30/1373668230.db2.gz LBLMLANHPZLILF-HXUWFJFHSA-N 2 0 335.451 3.052 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218995451 1373675586 /nfs/dbraw/zinc/67/55/86/1373675586.db2.gz WPVAAQRUTUXQLZ-KRWDZBQOSA-N 2 0 347.462 3.037 20 0 EGADRP Cc1[nH]c2c(cccc2NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c1C ZINC001219341350 1373701764 /nfs/dbraw/zinc/70/17/64/1373701764.db2.gz ICLZYNBMUIEFDA-INIZCTEOSA-N 2 0 330.476 3.219 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC001219585095 1373719162 /nfs/dbraw/zinc/71/91/62/1373719162.db2.gz UWIDESHQHGTFBQ-WDSOQIARSA-N 2 0 331.504 3.106 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001221374489 1373770933 /nfs/dbraw/zinc/77/09/33/1373770933.db2.gz MUYRXAGVEXSLKB-QZTJIDSGSA-N 2 0 331.504 3.284 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](C)CC)C[C@H]21 ZINC001221876659 1373801041 /nfs/dbraw/zinc/80/10/41/1373801041.db2.gz NKEBTLKZUFZKDL-IPMKNSEASA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+][C@@H]1CCc2ccccc21)C1CCCCC1 ZINC001131815894 1373819433 /nfs/dbraw/zinc/81/94/33/1373819433.db2.gz YLLAWFPKNRBOPR-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP c1cc(-c2ccccc2)sc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001222208529 1373820510 /nfs/dbraw/zinc/82/05/10/1373820510.db2.gz PLTMJTWICNQAKE-UHFFFAOYSA-N 2 0 328.481 3.370 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385766 1373831500 /nfs/dbraw/zinc/83/15/00/1373831500.db2.gz WKMQTIBOSGEIDE-NRFANRHFSA-N 2 0 345.531 3.125 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001131844840 1373833867 /nfs/dbraw/zinc/83/38/67/1373833867.db2.gz NXPXNAJYESIKNO-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346804 1388293944 /nfs/dbraw/zinc/29/39/44/1388293944.db2.gz WTLJMDDXBKINLO-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739047 1375072832 /nfs/dbraw/zinc/07/28/32/1375072832.db2.gz IFPMYORZWBJUOE-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224795071 1375077366 /nfs/dbraw/zinc/07/73/66/1375077366.db2.gz CWQCNRICZKHOKA-FZZLMOMWSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](CCCC)CC1 ZINC001224883467 1375082058 /nfs/dbraw/zinc/08/20/58/1375082058.db2.gz AWFCDJCLCRZUTI-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001225542744 1375122070 /nfs/dbraw/zinc/12/20/70/1375122070.db2.gz ODXMENSTCKVWLZ-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578061 1375126878 /nfs/dbraw/zinc/12/68/78/1375126878.db2.gz OWOSXODDWPASDL-KKHYBRAUSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132105340 1375150618 /nfs/dbraw/zinc/15/06/18/1375150618.db2.gz FPMFXRSXEQQPBW-PLQXZHKYSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CCCCCC1 ZINC001132106123 1375151567 /nfs/dbraw/zinc/15/15/67/1375151567.db2.gz QHCSVEQIIAEOBC-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132152338 1375171613 /nfs/dbraw/zinc/17/16/13/1375171613.db2.gz ADCJWMCKGXOFJE-SJLPKXTDSA-N 2 0 342.487 3.353 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132157566 1375176323 /nfs/dbraw/zinc/17/63/23/1375176323.db2.gz QUNDDMVMEHHXMU-WBVHZDCISA-N 2 0 328.460 3.107 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202191 1375205989 /nfs/dbraw/zinc/20/59/89/1375205989.db2.gz DPLQCUXBAHUQPH-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132207204 1375209472 /nfs/dbraw/zinc/20/94/72/1375209472.db2.gz RAMRGCAIFRCTJG-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132264881 1375254318 /nfs/dbraw/zinc/25/43/18/1375254318.db2.gz DEUZGHVRRLOEKW-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132270261 1375257593 /nfs/dbraw/zinc/25/75/93/1375257593.db2.gz RNYUZMJCJOANFG-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226555170 1375281725 /nfs/dbraw/zinc/28/17/25/1375281725.db2.gz XLPNEELVRYMLIU-RCKLCRPTSA-N 2 0 341.515 3.040 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC=C(C)C)C1 ZINC001132365742 1375329205 /nfs/dbraw/zinc/32/92/05/1375329205.db2.gz PQWPFBLNGRXADI-MOPGFXCFSA-N 2 0 337.552 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132377021 1375339519 /nfs/dbraw/zinc/33/95/19/1375339519.db2.gz SOLQWNIPJDOROA-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132441202 1375384403 /nfs/dbraw/zinc/38/44/03/1375384403.db2.gz LZTLEHXWYJDRTJ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001227082649 1375386307 /nfs/dbraw/zinc/38/63/07/1375386307.db2.gz IOYIXGZJYZMLOQ-KZNAEPCWSA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC001227150622 1375397540 /nfs/dbraw/zinc/39/75/40/1375397540.db2.gz WQEKIXYWHBTFOV-RCCFBDPRSA-N 2 0 339.568 3.416 20 0 EGADRP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001327090283 1388375544 /nfs/dbraw/zinc/37/55/44/1388375544.db2.gz SYGKFCMVWKCACW-UHFFFAOYSA-N 2 0 343.515 3.388 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227303332 1375418355 /nfs/dbraw/zinc/41/83/55/1375418355.db2.gz VJODCKGUOKJDKG-QZTJIDSGSA-N 2 0 328.460 3.155 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132517771 1375435722 /nfs/dbraw/zinc/43/57/22/1375435722.db2.gz GIVFKOURAQEHMK-IEBWSBKVSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC001132519267 1375437318 /nfs/dbraw/zinc/43/73/18/1375437318.db2.gz VUPQMNVRKPBAOP-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519479 1375437415 /nfs/dbraw/zinc/43/74/15/1375437415.db2.gz ZLWQBGZMWRKQDA-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132521299 1375438204 /nfs/dbraw/zinc/43/82/04/1375438204.db2.gz BGMWXZRNYVWZIP-OALUTQOASA-N 2 0 345.531 3.113 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132522771 1375439011 /nfs/dbraw/zinc/43/90/11/1375439011.db2.gz SAWABBYIZFUCLW-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC001132524363 1375440916 /nfs/dbraw/zinc/44/09/16/1375440916.db2.gz GJKBHIAHTMYHLX-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525659 1375441810 /nfs/dbraw/zinc/44/18/10/1375441810.db2.gz TVCGAQMTHVXPDL-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227798221 1375477215 /nfs/dbraw/zinc/47/72/15/1375477215.db2.gz UHSDZYQKFBAEGA-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001228039821 1375508893 /nfs/dbraw/zinc/50/88/93/1375508893.db2.gz PGLAIIPZYAAPOE-OAHLLOKOSA-N 2 0 349.494 3.198 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132894115 1375629896 /nfs/dbraw/zinc/62/98/96/1375629896.db2.gz XGHCEKZSGAWJMR-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132925674 1375648836 /nfs/dbraw/zinc/64/88/36/1375648836.db2.gz ZRYJOKPRDAGYBX-MOPGFXCFSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132938054 1375657687 /nfs/dbraw/zinc/65/76/87/1375657687.db2.gz QJFRSDNMCIDZJD-GBXWSJCFSA-N 2 0 337.552 3.147 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132938053 1375658338 /nfs/dbraw/zinc/65/83/38/1375658338.db2.gz QJFRSDNMCIDZJD-AQRBRUGDSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCC(NC(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001228889019 1375705979 /nfs/dbraw/zinc/70/59/79/1375705979.db2.gz PJMNMANHCXBGQS-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCc1ccc(C[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001228895899 1375707775 /nfs/dbraw/zinc/70/77/75/1375707775.db2.gz RDRNWIZAOOIKSH-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001133011172 1375709810 /nfs/dbraw/zinc/70/98/10/1375709810.db2.gz HISSFTMYVCEGCF-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCC(NC(=O)CCC[NH+](C)C)CC2)C1 ZINC001228904498 1375710233 /nfs/dbraw/zinc/71/02/33/1375710233.db2.gz JJIHZJVEFCAJHO-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001133011119 1375710277 /nfs/dbraw/zinc/71/02/77/1375710277.db2.gz FPGLVNSVVLUMMT-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012696 1375710954 /nfs/dbraw/zinc/71/09/54/1375710954.db2.gz UNGSBXVUKGOEAA-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133069117 1375756850 /nfs/dbraw/zinc/75/68/50/1375756850.db2.gz OVKWYKIPBYQEEM-AWTIPJNISA-N 2 0 349.563 3.149 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001133072040 1375758723 /nfs/dbraw/zinc/75/87/23/1375758723.db2.gz DLLNCHKVSWPFIY-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001229172019 1375780582 /nfs/dbraw/zinc/78/05/82/1375780582.db2.gz TZDDKKAKXXNOQN-VYENPZKTSA-N 2 0 337.552 3.434 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001229462804 1375840808 /nfs/dbraw/zinc/84/08/08/1375840808.db2.gz SRAMECGSOXFTKO-WAYWQWQTSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC001229524612 1375851588 /nfs/dbraw/zinc/85/15/88/1375851588.db2.gz PWOBDTFMUAAMQN-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@H](c1cccc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c1)[NH+](C)C ZINC001229625855 1375868616 /nfs/dbraw/zinc/86/86/16/1375868616.db2.gz INWCKLSSRIAGSJ-APWZRJJASA-N 2 0 332.488 3.331 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001229852873 1375904085 /nfs/dbraw/zinc/90/40/85/1375904085.db2.gz NFEPTUBREJRBAM-RTBURBONSA-N 2 0 335.536 3.236 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](CC2CCC2)CC1)c1ccccc1 ZINC001230017469 1375932097 /nfs/dbraw/zinc/93/20/97/1375932097.db2.gz WNGXXTZURQWZLL-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001230036086 1375934002 /nfs/dbraw/zinc/93/40/02/1375934002.db2.gz ZTSZYFJWEZHJSA-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001230285211 1375984433 /nfs/dbraw/zinc/98/44/33/1375984433.db2.gz SAHMNJGOLANPJC-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001230284731 1375984877 /nfs/dbraw/zinc/98/48/77/1375984877.db2.gz SDKNCEWTQDPTBJ-QRVBRYPASA-N 2 0 337.552 3.458 20 0 EGADRP CCCc1ccc(C[NH+]2CCC(NC(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001230374022 1376010362 /nfs/dbraw/zinc/01/03/62/1376010362.db2.gz GVVFQPAEOMSZDE-UHFFFAOYSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230518961 1376052134 /nfs/dbraw/zinc/05/21/34/1376052134.db2.gz WHEYXBNLBQMPHO-UKRRQHHQSA-N 2 0 337.427 3.145 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230598377 1376092636 /nfs/dbraw/zinc/09/26/36/1376092636.db2.gz MPKPJRMLUMSCID-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598676 1376094298 /nfs/dbraw/zinc/09/42/98/1376094298.db2.gz WRTJLEGOEMFZNE-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001188979882 1388425325 /nfs/dbraw/zinc/42/53/25/1388425325.db2.gz XMFNHDURFFZCHB-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(CC(C)C)cc1)[NH+](CC)CC ZINC001133690448 1376157601 /nfs/dbraw/zinc/15/76/01/1376157601.db2.gz LTITVLMAZQISJJ-HXUWFJFHSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC001133897078 1376254794 /nfs/dbraw/zinc/25/47/94/1376254794.db2.gz YEVXIYHUQWXUKB-KRWDZBQOSA-N 2 0 345.531 3.309 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C2)CC1 ZINC001231826609 1376323263 /nfs/dbraw/zinc/32/32/63/1376323263.db2.gz KLIOPKXGDPDOLY-UHFFFAOYSA-N 2 0 346.368 3.451 20 0 EGADRP c1c2c[nH+]ccc2[nH]c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001232014104 1376381644 /nfs/dbraw/zinc/38/16/44/1376381644.db2.gz KFIGMFINCPCGAD-DYESRHJHSA-N 2 0 332.451 3.269 20 0 EGADRP Brc1cnc2c(c1)CN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232014904 1376384944 /nfs/dbraw/zinc/38/49/44/1376384944.db2.gz XGDRWVNUPYFIIU-UHFFFAOYSA-N 2 0 343.228 3.279 20 0 EGADRP CCCn1cnc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001232799494 1376516174 /nfs/dbraw/zinc/51/61/74/1376516174.db2.gz LASSKXHKJDKUKE-UHFFFAOYSA-N 2 0 338.499 3.391 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001134520352 1376574955 /nfs/dbraw/zinc/57/49/55/1376574955.db2.gz PGBMMGLHNGNRME-UONOGXRCSA-N 2 0 337.533 3.096 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001134607737 1376622518 /nfs/dbraw/zinc/62/25/18/1376622518.db2.gz KUDHBXXHRVVLLO-OAAMNHTFSA-N 2 0 343.515 3.057 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134611843 1376624413 /nfs/dbraw/zinc/62/44/13/1376624413.db2.gz CRIWXKITEQMEGF-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001233518000 1376659848 /nfs/dbraw/zinc/65/98/48/1376659848.db2.gz KZQWEOAONNVNBN-UHFFFAOYSA-N 2 0 348.487 3.034 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001134756623 1376702310 /nfs/dbraw/zinc/70/23/10/1376702310.db2.gz GZYWHRUFPATGDA-GOSISDBHSA-N 2 0 345.531 3.280 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001134772873 1376712299 /nfs/dbraw/zinc/71/22/99/1376712299.db2.gz INZXLIXWQXKRCI-MSOLQXFVSA-N 2 0 347.547 3.222 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791376 1376724257 /nfs/dbraw/zinc/72/42/57/1376724257.db2.gz RALOFJBNLFMPOJ-IRXDYDNUSA-N 2 0 337.552 3.479 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134792150 1376725919 /nfs/dbraw/zinc/72/59/19/1376725919.db2.gz ZAUYLRQUFWHIMR-JKSUJKDBSA-N 2 0 325.541 3.312 20 0 EGADRP CN(CCC[N@H+](C)CC1CCC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001327251740 1388463865 /nfs/dbraw/zinc/46/38/65/1388463865.db2.gz LCYSYWLJMXPCQT-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2c(OC)cccc12 ZINC001235034373 1376832368 /nfs/dbraw/zinc/83/23/68/1376832368.db2.gz XDHGIYHCSXWZGR-FQEVSTJZSA-N 2 0 326.440 3.042 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCC(C)(C)C2)cc1)C(C)C ZINC001135000600 1376836302 /nfs/dbraw/zinc/83/63/02/1376836302.db2.gz IVLKMFCRACBRMB-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)ccc2[nH]1 ZINC001235041011 1376837997 /nfs/dbraw/zinc/83/79/97/1376837997.db2.gz WCQSNVRKHMEURY-HXUWFJFHSA-N 2 0 341.455 3.063 20 0 EGADRP FC(F)(F)c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235039351 1376839046 /nfs/dbraw/zinc/83/90/46/1376839046.db2.gz YEMBSRDLULYMIW-IUODEOHRSA-N 2 0 348.796 3.169 20 0 EGADRP COc1cccc2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235428813 1376870273 /nfs/dbraw/zinc/87/02/73/1376870273.db2.gz REEIEQSWKULOJC-HOTGVXAUSA-N 2 0 327.472 3.388 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427556 1376870610 /nfs/dbraw/zinc/87/06/10/1376870610.db2.gz SJIQPOSJXSMXQD-MSOLQXFVSA-N 2 0 339.483 3.455 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC001235429756 1376871004 /nfs/dbraw/zinc/87/10/04/1376871004.db2.gz ZLHRXOFMJYBFMS-DLBZAZTESA-N 2 0 347.503 3.020 20 0 EGADRP COc1ccc([C@H]2CSCC[N@@H+]2Cc2cccc(C[NH3+])c2)cc1 ZINC001235727551 1376887215 /nfs/dbraw/zinc/88/72/15/1376887215.db2.gz SXXGYBHCHZDQGL-LJQANCHMSA-N 2 0 328.481 3.444 20 0 EGADRP CCN(Cc1cc(Br)cc(C)c1OC)C1CC[NH2+]CC1 ZINC001235764879 1376889929 /nfs/dbraw/zinc/88/99/29/1376889929.db2.gz NNRWPYOROUMYDN-UHFFFAOYSA-N 2 0 341.293 3.340 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102090 1376899851 /nfs/dbraw/zinc/89/98/51/1376899851.db2.gz WTOCYCLQAOXSAF-ROUUACIJSA-N 2 0 347.547 3.323 20 0 EGADRP CC(C)C[C@H]1CN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001235878933 1376908132 /nfs/dbraw/zinc/90/81/32/1376908132.db2.gz UPYKLAQLWIYUPS-SFTDATJTSA-N 2 0 329.532 3.361 20 0 EGADRP CCC[N@H+](CCc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC001236181458 1376939752 /nfs/dbraw/zinc/93/97/52/1376939752.db2.gz ZRIIRVFYRWEAKP-UHFFFAOYSA-N 2 0 325.294 3.456 20 0 EGADRP [NH3+]C12CC(C[NH+]3CCN(c4cccc(-c5ccccc5)c4)CC3)(C1)C2 ZINC001236182045 1376939785 /nfs/dbraw/zinc/93/97/85/1376939785.db2.gz MYNGQGKNQMRLCZ-UHFFFAOYSA-N 2 0 333.479 3.357 20 0 EGADRP c1ccc(C2([NH+]3CCN(Cc4ccc5c(c4)C[NH2+]CC5)CC3)CC2)cc1 ZINC001236229956 1376942655 /nfs/dbraw/zinc/94/26/55/1376942655.db2.gz VHAHVTHDBNASPC-UHFFFAOYSA-N 2 0 347.506 3.139 20 0 EGADRP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236254173 1376945563 /nfs/dbraw/zinc/94/55/63/1376945563.db2.gz VOEZCUDDZJSDIW-NRFANRHFSA-N 2 0 341.543 3.363 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180362 1376953437 /nfs/dbraw/zinc/95/34/37/1376953437.db2.gz GDCIYQARQGMLCR-ZWKOTPCHSA-N 2 0 345.531 3.242 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001135181037 1376953452 /nfs/dbraw/zinc/95/34/52/1376953452.db2.gz LHSRZMFVSXVQOK-ROUUACIJSA-N 2 0 345.531 3.242 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCCC(C)(C)C ZINC001135297740 1377026110 /nfs/dbraw/zinc/02/61/10/1377026110.db2.gz GVYQDLUNBYBTHN-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP COC(=O)c1ccc(F)cc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001243122424 1377029995 /nfs/dbraw/zinc/02/99/95/1377029995.db2.gz PRSNYFUPBNIZMV-UHFFFAOYSA-N 2 0 342.414 3.202 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(Cl)s1)NC(=O)CCC[NH+](C)C ZINC001135315623 1377033994 /nfs/dbraw/zinc/03/39/94/1377033994.db2.gz QORZYHHLUQPBLK-QWHCGFSZSA-N 2 0 345.940 3.116 20 0 EGADRP c1ccc(C[C@@H](CN2CCCC2)[NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246297483 1377050984 /nfs/dbraw/zinc/05/09/84/1377050984.db2.gz GMXUJFJSGVACAT-FDFHNCONSA-N 2 0 341.543 3.205 20 0 EGADRP NCC[N@H+]([C@H]1CCC[C@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246292376 1377051285 /nfs/dbraw/zinc/05/12/85/1377051285.db2.gz VYBRPPAIQOANRP-DVBNIQRLSA-N 2 0 331.548 3.138 20 0 EGADRP COc1ccc(C2([NH2+][C@H]3Cc4cccc(F)c4C3)CC[NH2+]CC2)cc1 ZINC001246380725 1377051533 /nfs/dbraw/zinc/05/15/33/1377051533.db2.gz MIEMZLHBZXDQOE-KRWDZBQOSA-N 2 0 340.442 3.170 20 0 EGADRP CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246542718 1377052441 /nfs/dbraw/zinc/05/24/41/1377052441.db2.gz XYFLRZAQJQBDBB-INIZCTEOSA-N 2 0 338.492 3.325 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)N(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246938693 1377055728 /nfs/dbraw/zinc/05/57/28/1377055728.db2.gz SJHXXQDOZWFVPM-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP Fc1ccc(CN([C@@H]2CC[NH2+]C3(CCC3)C2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246938788 1377056377 /nfs/dbraw/zinc/05/63/77/1377056377.db2.gz UBGWJFCBWNQNKL-MOPGFXCFSA-N 2 0 331.479 3.054 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc2ccccc2c1)NC(=O)CC[NH+](C)C ZINC001135376914 1377061993 /nfs/dbraw/zinc/06/19/93/1377061993.db2.gz ZSVDXDDQCOEJRK-DLBZAZTESA-N 2 0 341.499 3.164 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001135440596 1377098437 /nfs/dbraw/zinc/09/84/37/1377098437.db2.gz PHLNJHOFPMPNJH-GOSISDBHSA-N 2 0 333.520 3.274 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001254508456 1377105268 /nfs/dbraw/zinc/10/52/68/1377105268.db2.gz JDKNIAXHHIYYEC-GOSISDBHSA-N 2 0 337.458 3.003 20 0 EGADRP Cc1c(F)cccc1CN1CCC([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254508501 1377105877 /nfs/dbraw/zinc/10/58/77/1377105877.db2.gz JTYREOHZUVCMJE-GOSISDBHSA-N 2 0 333.495 3.172 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254530034 1377107025 /nfs/dbraw/zinc/10/70/25/1377107025.db2.gz TYHXGHXIWXGRSI-HSALFYBXSA-N 2 0 344.499 3.282 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001254526616 1377107465 /nfs/dbraw/zinc/10/74/65/1377107465.db2.gz RXVAYTSEVITTIV-RDGPPVDQSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468070 1377107560 /nfs/dbraw/zinc/10/75/60/1377107560.db2.gz LXRJCEYBYRFCDF-IRXDYDNUSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC001135468152 1377107608 /nfs/dbraw/zinc/10/76/08/1377107608.db2.gz MZTSKVHEJGYKMJ-MSOLQXFVSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471417 1377108936 /nfs/dbraw/zinc/10/89/36/1377108936.db2.gz MCLWMBCQRRIVPV-MSOLQXFVSA-N 2 0 345.531 3.243 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471419 1377109117 /nfs/dbraw/zinc/10/91/17/1377109117.db2.gz MCLWMBCQRRIVPV-ROUUACIJSA-N 2 0 345.531 3.243 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1)C(C)C ZINC001135474672 1377110089 /nfs/dbraw/zinc/11/00/89/1377110089.db2.gz WVXMRYFSDJOLCV-PKOBYXMFSA-N 2 0 333.520 3.128 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481239 1377113829 /nfs/dbraw/zinc/11/38/29/1377113829.db2.gz RRALNPSTVWNDET-OALUTQOASA-N 2 0 347.547 3.080 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001135511411 1377123142 /nfs/dbraw/zinc/12/31/42/1377123142.db2.gz RDKRMYWKSLFYQT-UHFFFAOYSA-N 2 0 345.531 3.008 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCC(C)(C)C ZINC001135614720 1377163116 /nfs/dbraw/zinc/16/31/16/1377163116.db2.gz YTVWDIAVBUUSMX-SJORKVTESA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135742904 1377198917 /nfs/dbraw/zinc/19/89/17/1377198917.db2.gz ATDMPRLWJAKGNP-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001266189438 1377220798 /nfs/dbraw/zinc/22/07/98/1377220798.db2.gz DKKLKZLOKHCUAN-GOSISDBHSA-N 2 0 339.568 3.322 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001135823969 1377222373 /nfs/dbraw/zinc/22/23/73/1377222373.db2.gz KVTDUJKDEWJUGI-ROUUACIJSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944437 1377272627 /nfs/dbraw/zinc/27/26/27/1377272627.db2.gz JPGPYNQBYMBQBJ-JKSUJKDBSA-N 2 0 334.508 3.070 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccc(CC)cc1 ZINC001135980303 1377286166 /nfs/dbraw/zinc/28/61/66/1377286166.db2.gz NIYQNQFNMFQWES-ROUUACIJSA-N 2 0 347.547 3.006 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001266361367 1377296173 /nfs/dbraw/zinc/29/61/73/1377296173.db2.gz LVZUMRDYDHEDOO-UYAOXDASSA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266479705 1377318106 /nfs/dbraw/zinc/31/81/06/1377318106.db2.gz BFAFNIKNXHDQRF-RTBURBONSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309419 1388493887 /nfs/dbraw/zinc/49/38/87/1388493887.db2.gz VKPFXGAFLCIODE-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001137208742 1377496999 /nfs/dbraw/zinc/49/69/99/1377496999.db2.gz LIBYUYXBEHQQQG-RBUKOAKNSA-N 2 0 345.531 3.278 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001269345927 1377552339 /nfs/dbraw/zinc/55/23/39/1377552339.db2.gz WVRGOZGOBLEJSD-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001138850925 1377794999 /nfs/dbraw/zinc/79/49/99/1377794999.db2.gz NWFOSGQTZUZXKB-UHFFFAOYSA-N 2 0 344.377 3.121 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3ccc(-c4cnccn4)cc3)CC2)cc[nH+]1 ZINC001139394759 1377878516 /nfs/dbraw/zinc/87/85/16/1377878516.db2.gz LRVLGBHIUDBLCE-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP COc1ncc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001139818964 1377956502 /nfs/dbraw/zinc/95/65/02/1377956502.db2.gz SRBKPRBACVZDPK-UHFFFAOYSA-N 2 0 345.512 3.496 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c(C)c1 ZINC001274643207 1378131569 /nfs/dbraw/zinc/13/15/69/1378131569.db2.gz IJSUWBGLHHCTMB-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP Oc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1 ZINC001275892207 1378160928 /nfs/dbraw/zinc/16/09/28/1378160928.db2.gz OJWDMOHZQOTZHB-HDICACEKSA-N 2 0 325.456 3.064 20 0 EGADRP CS[C@H](C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001276470722 1378174137 /nfs/dbraw/zinc/17/41/37/1378174137.db2.gz QQZDRILUWAPKCA-FGTMMUONSA-N 2 0 336.549 3.049 20 0 EGADRP Cc1c[nH]c(=O)c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)c1 ZINC001276872618 1378190319 /nfs/dbraw/zinc/19/03/19/1378190319.db2.gz WJEDKJUPJLRTEA-VQTJNVASSA-N 2 0 340.471 3.149 20 0 EGADRP C[N@H+](CCc1cccc(F)c1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975579 1378198138 /nfs/dbraw/zinc/19/81/38/1378198138.db2.gz VDJAITNUNPZCPF-UHFFFAOYSA-N 2 0 341.474 3.252 20 0 EGADRP CC(=O)Nc1ccc(C[NH+]2CC3(C2)CC[NH+](CCCCF)CC3)cc1 ZINC001278205310 1378261903 /nfs/dbraw/zinc/26/19/03/1378261903.db2.gz HFMHLDJHJJURDT-UHFFFAOYSA-N 2 0 347.478 3.293 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C)cc1F)C2 ZINC001141192558 1378264644 /nfs/dbraw/zinc/26/46/44/1378264644.db2.gz AUUMKDFQONSUPB-CTNGQTDRSA-N 2 0 346.490 3.314 20 0 EGADRP CCN1CCC([N@H+](C)Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141413408 1378320194 /nfs/dbraw/zinc/32/01/94/1378320194.db2.gz SFUIYMFZJFFGAJ-UHFFFAOYSA-N 2 0 332.488 3.161 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001142307041 1378432722 /nfs/dbraw/zinc/43/27/22/1378432722.db2.gz QSRJIDHLTNFBEM-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP COc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC(F)(F)F ZINC001143879420 1378656942 /nfs/dbraw/zinc/65/69/42/1378656942.db2.gz KCRCKRQVVFWAOJ-INIZCTEOSA-N 2 0 344.377 3.121 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001144003940 1378669930 /nfs/dbraw/zinc/66/99/30/1378669930.db2.gz YSELGKKIGIRJOD-UHFFFAOYSA-N 2 0 346.393 3.367 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001146399974 1378834748 /nfs/dbraw/zinc/83/47/48/1378834748.db2.gz ZGEZWNQNKQJTSD-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C)[NH2+]CCC1CC1 ZINC001146581517 1378871314 /nfs/dbraw/zinc/87/13/14/1378871314.db2.gz CMMKKQRWBCVFSB-CVEARBPZSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146614317 1378877970 /nfs/dbraw/zinc/87/79/70/1378877970.db2.gz XTDUPRGHPGHDBE-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146716297 1378906862 /nfs/dbraw/zinc/90/68/62/1378906862.db2.gz YUKDLWXRLBQXIC-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(CC)c1 ZINC001147359168 1379008258 /nfs/dbraw/zinc/00/82/58/1379008258.db2.gz MZIDORIPSQUDKJ-HXUWFJFHSA-N 2 0 345.531 3.109 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CCCC(C)(C)C ZINC001147449031 1379023029 /nfs/dbraw/zinc/02/30/29/1379023029.db2.gz FSPBZKOBIMLFRA-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CCC/C=C/CC[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147450037 1379023233 /nfs/dbraw/zinc/02/32/33/1379023233.db2.gz WGXJFDSLYXQKPG-CMDGGOBGSA-N 2 0 325.541 3.341 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658168 1379056562 /nfs/dbraw/zinc/05/65/62/1379056562.db2.gz IRJQGRGUBJGGGL-RURPWVQCSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)C2 ZINC001147813397 1379084634 /nfs/dbraw/zinc/08/46/34/1379084634.db2.gz ZXFNYSBWYPYIAJ-QGZVFWFLSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001283691225 1379120480 /nfs/dbraw/zinc/12/04/80/1379120480.db2.gz AQRZKZOMCGUJCD-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001283704597 1379130036 /nfs/dbraw/zinc/13/00/36/1379130036.db2.gz NVEDOEBKDPYNMI-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001148577893 1379216176 /nfs/dbraw/zinc/21/61/76/1379216176.db2.gz IFJAXRBDJLTOMO-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP CC1CCC(C[N@@H+]2CCC3(CN(C(=O)CCCC[NH+](C)C)C3)C2)CC1 ZINC001148641329 1379232512 /nfs/dbraw/zinc/23/25/12/1379232512.db2.gz ZSAJCMAXFOVHKX-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1c(C)cc(C(C)(C)C)cc1C ZINC001148655012 1379234723 /nfs/dbraw/zinc/23/47/23/1379234723.db2.gz FIFIOCXOEAYQIS-UHFFFAOYSA-N 2 0 347.547 3.149 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777192 1379266231 /nfs/dbraw/zinc/26/62/31/1379266231.db2.gz LCFVXRZGYXQCGF-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833582 1379278616 /nfs/dbraw/zinc/27/86/16/1379278616.db2.gz AZZFCZBYCILWCQ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001327841103 1388604069 /nfs/dbraw/zinc/60/40/69/1388604069.db2.gz VFCBQRXBMLTQLK-IAGOWNOFSA-N 3 0 333.520 3.187 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCC1CCCC1 ZINC001284133123 1379518044 /nfs/dbraw/zinc/51/80/44/1379518044.db2.gz YZOVMRVNZMZCLF-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)CC1 ZINC001152198253 1379882609 /nfs/dbraw/zinc/88/26/09/1379882609.db2.gz AMRBSRZHHYGDJM-UHFFFAOYSA-N 2 0 334.423 3.396 20 0 EGADRP CC[N@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392808 1379925974 /nfs/dbraw/zinc/92/59/74/1379925974.db2.gz UVVXBEJYCBUYEZ-ZXKUBQOYSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCCC1 ZINC001152473659 1379939205 /nfs/dbraw/zinc/93/92/05/1379939205.db2.gz XSGGVXQUUNNKPK-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC1CCCCCC1)[NH+]1CCCCC1 ZINC001152479761 1379940434 /nfs/dbraw/zinc/94/04/34/1379940434.db2.gz JVRNFLRGHWFXAK-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001152480046 1379940839 /nfs/dbraw/zinc/94/08/39/1379940839.db2.gz LRRNVAUUBWFVNP-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]C[C@@H](C)CC(C)C)o1 ZINC001153266768 1380046591 /nfs/dbraw/zinc/04/65/91/1380046591.db2.gz ODPGAGNHCSPJNQ-INIZCTEOSA-N 2 0 337.508 3.123 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C)[NH+](C)C ZINC001284643130 1380050143 /nfs/dbraw/zinc/05/01/43/1380050143.db2.gz QORDYDZMSOUDJT-JKSUJKDBSA-N 2 0 339.549 3.017 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C(C)(C)C ZINC001284652984 1380067856 /nfs/dbraw/zinc/06/78/56/1380067856.db2.gz OJHPHNOIXQQXTC-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCCC1)C(C)(C)C ZINC001284652983 1380068059 /nfs/dbraw/zinc/06/80/59/1380068059.db2.gz OJHPHNOIXQQXTC-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CCCC1 ZINC001153720295 1380118970 /nfs/dbraw/zinc/11/89/70/1380118970.db2.gz AHAVFKZWTSCENI-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879513 1380148447 /nfs/dbraw/zinc/14/84/47/1380148447.db2.gz HUAYKRAQHOADKV-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034042 1380186942 /nfs/dbraw/zinc/18/69/42/1380186942.db2.gz UIGUSRONOZDURJ-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033641 1380187061 /nfs/dbraw/zinc/18/70/61/1380187061.db2.gz HQXGCWZYMSEQGG-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034040 1380187532 /nfs/dbraw/zinc/18/75/32/1380187532.db2.gz UIGUSRONOZDURJ-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069888 1380197796 /nfs/dbraw/zinc/19/77/96/1380197796.db2.gz NAMAKMCSEVUVGW-QGZVFWFLSA-N 2 0 347.547 3.306 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC(C)C ZINC001154069595 1380198098 /nfs/dbraw/zinc/19/80/98/1380198098.db2.gz HUCDNUDBFMWHNR-DLBZAZTESA-N 2 0 327.557 3.226 20 0 EGADRP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099379 1380207843 /nfs/dbraw/zinc/20/78/43/1380207843.db2.gz JEEQATIPJYSQDH-SAAWKEMMSA-N 2 0 343.943 3.219 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167556 1380220062 /nfs/dbraw/zinc/22/00/62/1380220062.db2.gz KQPALSCAWITLFQ-JTHGQSKGSA-N 2 0 335.536 3.188 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455690 1380280842 /nfs/dbraw/zinc/28/08/42/1380280842.db2.gz ZWILBCDQRDEUPG-WAQVGJNASA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1)[NH+](CC)CC ZINC001155174605 1380419653 /nfs/dbraw/zinc/41/96/53/1380419653.db2.gz GYAJLTCJBRQMQO-IEBWSBKVSA-N 2 0 333.520 3.134 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccsc1)[NH+](CC)CC ZINC001155180787 1380420366 /nfs/dbraw/zinc/42/03/66/1380420366.db2.gz QAWBCZZKQRRZIP-NVXWUHKLSA-N 2 0 339.549 3.195 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263653 1380430284 /nfs/dbraw/zinc/43/02/84/1380430284.db2.gz VEDWLPVAGRTGHN-QGZVFWFLSA-N 2 0 327.557 3.227 20 0 EGADRP Cc1ccc2nc(Cl)cc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c2c1 ZINC001155374345 1380442593 /nfs/dbraw/zinc/44/25/93/1380442593.db2.gz XXGIYEADAZUYTD-HNNXBMFYSA-N 2 0 344.890 3.056 20 0 EGADRP Cc1ccc2c(c1)[C@@H](Nc1ccc3c(n1)CC[NH2+]C3)CC21CC[NH2+]CC1 ZINC001155431832 1380452140 /nfs/dbraw/zinc/45/21/40/1380452140.db2.gz XWRNBFHKKNDOMY-FQEVSTJZSA-N 2 0 348.494 3.214 20 0 EGADRP CC(C)([NH2+]CC[C@@H]1C[NH2+]Cc2cccn2C1)c1ccnc(Cl)c1 ZINC001155463233 1380456646 /nfs/dbraw/zinc/45/66/46/1380456646.db2.gz UOAPVVIDFOCEHO-CQSZACIVSA-N 2 0 332.879 3.171 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155612541 1380473898 /nfs/dbraw/zinc/47/38/98/1380473898.db2.gz XYMHKJNABQNHSY-MSOLQXFVSA-N 2 0 343.531 3.217 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)c3cccc4c[nH+]cn43)cc2)CC1 ZINC001155792777 1380492698 /nfs/dbraw/zinc/49/26/98/1380492698.db2.gz BEBWMYDDCSGNJP-UHFFFAOYSA-N 2 0 334.423 3.396 20 0 EGADRP Cc1nc(N2CCCC2)cc(NCc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC001156043845 1380516059 /nfs/dbraw/zinc/51/60/59/1380516059.db2.gz BNIRRPULCMQDLK-UHFFFAOYSA-N 2 0 325.460 3.059 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@H+](CC)CCCF ZINC001156319456 1380557981 /nfs/dbraw/zinc/55/79/81/1380557981.db2.gz WRBIJCAQOXOFHO-QGZVFWFLSA-N 2 0 331.520 3.075 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428350 1380574888 /nfs/dbraw/zinc/57/48/88/1380574888.db2.gz KAJCVYBYUITALW-MRXNPFEDSA-N 2 0 334.508 3.168 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1CC ZINC001156516766 1380587149 /nfs/dbraw/zinc/58/71/49/1380587149.db2.gz DDLOZYLZDGDIKF-GOSISDBHSA-N 2 0 347.547 3.308 20 0 EGADRP CCN(C)c1cc(C)nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001156522492 1380587596 /nfs/dbraw/zinc/58/75/96/1380587596.db2.gz AKMGPZCRCGJJCT-SFHVURJKSA-N 2 0 339.487 3.490 20 0 EGADRP CC1(C)C[N@H+](CCC2CC2)CC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001328097984 1388669772 /nfs/dbraw/zinc/66/97/72/1388669772.db2.gz KFVIUSLCGQNZFZ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091777 1380774327 /nfs/dbraw/zinc/77/43/27/1380774327.db2.gz BDEHHRNUZKATTF-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109006 1380777242 /nfs/dbraw/zinc/77/72/42/1380777242.db2.gz FVVATBMFABIKAF-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](Cc1ccccc1C1CC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112854 1380778567 /nfs/dbraw/zinc/77/85/67/1380778567.db2.gz AWCMLNLNJSGYBA-QGZVFWFLSA-N 2 0 345.531 3.231 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118965 1380780220 /nfs/dbraw/zinc/78/02/20/1380780220.db2.gz QGMLSMPCLVZKNK-HKVOBHHDSA-N 2 0 337.552 3.290 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255820 1380825320 /nfs/dbraw/zinc/82/53/20/1380825320.db2.gz MHNQIYKXIYHYFT-GOSISDBHSA-N 2 0 325.541 3.269 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001157899265 1381064862 /nfs/dbraw/zinc/06/48/62/1381064862.db2.gz LWMWJZDTPQDUNH-RBUKOAKNSA-N 2 0 331.504 3.106 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001157899064 1381065203 /nfs/dbraw/zinc/06/52/03/1381065203.db2.gz IVUVQZVTDQTDMM-HKUYNNGSSA-N 2 0 331.504 3.025 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(CC[NH3+])c2cccnc2)nc1 ZINC001158001482 1381098832 /nfs/dbraw/zinc/09/88/32/1381098832.db2.gz JJYFCEGQDIMMMP-GOSISDBHSA-N 2 0 325.460 3.120 20 0 EGADRP CC(C)(C)CCC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158079490 1381121852 /nfs/dbraw/zinc/12/18/52/1381121852.db2.gz CQQQKSCVMNPMHI-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001328254582 1388700090 /nfs/dbraw/zinc/70/00/90/1388700090.db2.gz DZDXZXKMYBCWJP-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(C)C)C1 ZINC001158398347 1381230711 /nfs/dbraw/zinc/23/07/11/1381230711.db2.gz UYHNFYANUQZYNQ-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001158418852 1381240265 /nfs/dbraw/zinc/24/02/65/1381240265.db2.gz BOBIXDSYZURRSZ-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001158428838 1381242674 /nfs/dbraw/zinc/24/26/74/1381242674.db2.gz WCRGLRZNRYJUCC-SQGPQFPESA-N 2 0 345.531 3.307 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ccccc1 ZINC001158616692 1381323261 /nfs/dbraw/zinc/32/32/61/1381323261.db2.gz RESHLVRQSDAPAP-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158704703 1381359829 /nfs/dbraw/zinc/35/98/29/1381359829.db2.gz RZBPBINCKFAHPC-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872290 1381443971 /nfs/dbraw/zinc/44/39/71/1381443971.db2.gz GKVYOTUDZRXYIE-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158913732 1381461461 /nfs/dbraw/zinc/46/14/61/1381461461.db2.gz AELNMNNWINIXGU-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949891 1381481846 /nfs/dbraw/zinc/48/18/46/1381481846.db2.gz UMZHFDZHPUAWML-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001328362047 1388730272 /nfs/dbraw/zinc/73/02/72/1388730272.db2.gz XAFNFHARJJBJNG-AZUAARDMSA-N 2 0 345.531 3.100 20 0 EGADRP c1cnc(OC2CC[NH2+]CC2)c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001159241912 1381741528 /nfs/dbraw/zinc/74/15/28/1381741528.db2.gz JKJHGCZQZBCPMH-KRWDZBQOSA-N 2 0 342.487 3.157 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001159328611 1381764694 /nfs/dbraw/zinc/76/46/94/1381764694.db2.gz UFMFBDXGXRQKEM-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001159335382 1381768109 /nfs/dbraw/zinc/76/81/09/1381768109.db2.gz ZIRFDMYWKGHQCU-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)cc1 ZINC001159344021 1381771357 /nfs/dbraw/zinc/77/13/57/1381771357.db2.gz QKPWIITYQPCZKF-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP c1ccc(C2=CC[NH2+]CC2)c(Nc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001160023158 1381970929 /nfs/dbraw/zinc/97/09/29/1381970929.db2.gz JCSYEDNNPULPGO-UHFFFAOYSA-N 2 0 348.494 3.212 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cccc(F)c1N1CC[NH2+]CC1 ZINC001160110904 1381999833 /nfs/dbraw/zinc/99/98/33/1381999833.db2.gz ZOMDOHOHPVJCOI-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131957 1382009518 /nfs/dbraw/zinc/00/95/18/1382009518.db2.gz YCWDKJBKAZZKPM-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001160142770 1382014506 /nfs/dbraw/zinc/01/45/06/1382014506.db2.gz ACBPURJJIJAURU-IBGZPJMESA-N 2 0 335.455 3.426 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169317 1382023247 /nfs/dbraw/zinc/02/32/47/1382023247.db2.gz PIFPJNFTKTXBKG-VQTJNVASSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cccc(F)c1O[C@@H]1CC[NH2+]C1 ZINC001160180293 1382026792 /nfs/dbraw/zinc/02/67/92/1382026792.db2.gz LLBNTHXSGCZAJA-OAHLLOKOSA-N 2 0 329.419 3.372 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160273398 1382058670 /nfs/dbraw/zinc/05/86/70/1382058670.db2.gz LUBRTBVFQXDKJA-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160352461 1382081311 /nfs/dbraw/zinc/08/13/11/1382081311.db2.gz IJRUKVWLXLHQPA-FQEVSTJZSA-N 2 0 347.547 3.069 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379629 1382087498 /nfs/dbraw/zinc/08/74/98/1382087498.db2.gz MDYQDEWWVYBYJC-AATRIKPKSA-N 2 0 347.547 3.356 20 0 EGADRP c1cc2c(c(NC3=CC[C@@H]([NH+]4CCCC4)CC3)c1)[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394959 1382092761 /nfs/dbraw/zinc/09/27/61/1382092761.db2.gz NTCARNLZUYXTHF-GPMSIDNRSA-N 2 0 325.456 3.079 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160501051 1382125359 /nfs/dbraw/zinc/12/53/59/1382125359.db2.gz VPSUUXMGUPJONS-KKHYBRAUSA-N 2 0 347.547 3.356 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328493518 1388763738 /nfs/dbraw/zinc/76/37/38/1388763738.db2.gz WMGZYNPURPBNKR-UHFFFAOYSA-N 2 0 330.472 3.254 20 0 EGADRP CN(C)c1cc[nH+]c(-n2cc(C[NH3+])c3ccc(Br)cc32)c1 ZINC001160757432 1382188431 /nfs/dbraw/zinc/18/84/31/1382188431.db2.gz PLMWBFRWORAWRV-UHFFFAOYSA-N 2 0 345.244 3.313 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001328509050 1388767858 /nfs/dbraw/zinc/76/78/58/1388767858.db2.gz CNBKDUFYDJODBO-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160805009 1382202388 /nfs/dbraw/zinc/20/23/88/1382202388.db2.gz YIUZNSSHOPHPRQ-UHFFFAOYSA-N 2 0 347.547 3.356 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC001293540002 1382297592 /nfs/dbraw/zinc/29/75/92/1382297592.db2.gz HBTZLMVBRNMISL-UFYCRDLUSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001161106743 1382298735 /nfs/dbraw/zinc/29/87/35/1382298735.db2.gz JEJZUAKLTGFSFX-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)C1 ZINC001161212840 1382343251 /nfs/dbraw/zinc/34/32/51/1382343251.db2.gz BOXDCLDRULDSGT-SFHVURJKSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220228 1382346065 /nfs/dbraw/zinc/34/60/65/1382346065.db2.gz ZGVSTDZCEMBPEV-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001161504088 1382425054 /nfs/dbraw/zinc/42/50/54/1382425054.db2.gz AUOAKIAVDCKWAG-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP Cc1cccc(C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC001161525194 1382430224 /nfs/dbraw/zinc/43/02/24/1382430224.db2.gz XDFZADVUYMLYST-UHFFFAOYSA-N 2 0 345.531 3.244 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161564115 1382439939 /nfs/dbraw/zinc/43/99/39/1382439939.db2.gz UGTSRSRZCDEZBT-AATRIKPKSA-N 2 0 328.460 3.099 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001161645120 1382468646 /nfs/dbraw/zinc/46/86/46/1382468646.db2.gz YQJYKNPONLVRRR-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(NC3Cc4ccccc4C3)cc2)CC1 ZINC001161762327 1382498573 /nfs/dbraw/zinc/49/85/73/1382498573.db2.gz DOWZQWREXUBGQJ-UHFFFAOYSA-N 2 0 335.495 3.437 20 0 EGADRP C[NH+](C)[C@H](CNc1cc[nH+]cc1C(F)(F)F)c1cccc(F)c1 ZINC001161924099 1382554315 /nfs/dbraw/zinc/55/43/15/1382554315.db2.gz NCNKFMHZXJAXKL-OAHLLOKOSA-N 2 0 327.325 3.376 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925076 1382556006 /nfs/dbraw/zinc/55/60/06/1382556006.db2.gz WBZYVKWWVQDSSA-OALUTQOASA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1=CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001161952661 1382569945 /nfs/dbraw/zinc/56/99/45/1382569945.db2.gz IDJTYZRAFSTSTB-GOSISDBHSA-N 2 0 343.515 3.226 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994072 1382592406 /nfs/dbraw/zinc/59/24/06/1382592406.db2.gz RZCQILMJCHKUES-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP Nc1cccc(NCC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)[nH+]1 ZINC001161992663 1382592524 /nfs/dbraw/zinc/59/25/24/1382592524.db2.gz RKRVPFSVVWYVSM-UHFFFAOYSA-N 2 0 330.863 3.342 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nc(Cl)cc(C2CCCCC2)n1 ZINC001162294535 1382723829 /nfs/dbraw/zinc/72/38/29/1382723829.db2.gz KWPSLWQFUCBXSY-UHFFFAOYSA-N 2 0 339.915 3.308 20 0 EGADRP CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001162841164 1382892278 /nfs/dbraw/zinc/89/22/78/1382892278.db2.gz OSBQEXTWDSAVOH-HXUWFJFHSA-N 2 0 347.547 3.178 20 0 EGADRP c1cc2n(c1)C[C@H](CCNc1ccc([C@@H]3CCC[NH2+]C3)cc1)C[NH2+]C2 ZINC001163065323 1382959608 /nfs/dbraw/zinc/95/96/08/1382959608.db2.gz MDFJIGGLPRXGCY-IEBWSBKVSA-N 2 0 338.499 3.177 20 0 EGADRP CCCCOc1cnc(NC(=[NH2+])NCC[NH+](CC)CC)c(Cl)c1 ZINC001163129416 1382972434 /nfs/dbraw/zinc/97/24/34/1382972434.db2.gz WWHXMGIKCXKSBH-UHFFFAOYSA-N 2 0 341.887 3.192 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]Cc2ccc(CF)cc2)CCCC1 ZINC001163297711 1383014492 /nfs/dbraw/zinc/01/44/92/1383014492.db2.gz QVUKLZUYKQHCHW-UHFFFAOYSA-N 2 0 349.494 3.017 20 0 EGADRP C[N@H+](Cc1ccc(N2CC[NH+](C)C[C@@H]2c2ccccc2)nc1)C1CC1 ZINC001163674210 1383102607 /nfs/dbraw/zinc/10/26/07/1383102607.db2.gz JRICJHFTGIGYLA-HXUWFJFHSA-N 2 0 336.483 3.169 20 0 EGADRP Cc1c(C)n(-c2cccc(N3CC[NH2+]CC3)c2)c2ccc(C[NH3+])cc12 ZINC001163762107 1383118985 /nfs/dbraw/zinc/11/89/85/1383118985.db2.gz XIBZTWICVWRFEU-UHFFFAOYSA-N 2 0 334.467 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001164449084 1383187971 /nfs/dbraw/zinc/18/79/71/1383187971.db2.gz CCDVYNOAFVFNJN-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001164514260 1383195264 /nfs/dbraw/zinc/19/52/64/1383195264.db2.gz NTEORPMGFAHQGF-GOSISDBHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165332348 1383275645 /nfs/dbraw/zinc/27/56/45/1383275645.db2.gz IGCPKKDIJGNTES-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1)c1ccccc1 ZINC001165501226 1383303679 /nfs/dbraw/zinc/30/36/79/1383303679.db2.gz COZIFQKGWZCBET-KRWDZBQOSA-N 2 0 343.515 3.108 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001165501886 1383303932 /nfs/dbraw/zinc/30/39/32/1383303932.db2.gz QWBZLQDGZUPWPG-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001297963742 1383311325 /nfs/dbraw/zinc/31/13/25/1383311325.db2.gz VXWIFIBNGMQZIB-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC001165794659 1383346054 /nfs/dbraw/zinc/34/60/54/1383346054.db2.gz ZYXVXGGNHGMDLH-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001166009944 1383376658 /nfs/dbraw/zinc/37/66/58/1383376658.db2.gz DEPXMFGAKFXGFS-IEBWSBKVSA-N 2 0 333.520 3.047 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1)[NH+](CC)CC ZINC001166425788 1383421311 /nfs/dbraw/zinc/42/13/11/1383421311.db2.gz VVDITBCTZJPCGW-IBGZPJMESA-N 2 0 333.520 3.020 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)[NH+](CC)CC ZINC001166447064 1383423706 /nfs/dbraw/zinc/42/37/06/1383423706.db2.gz GYBSTICRFJFKRD-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP Nc1cc[nH+]c(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001166495584 1383429147 /nfs/dbraw/zinc/42/91/47/1383429147.db2.gz OOQBZZNIKMYKLW-UHFFFAOYSA-N 2 0 331.379 3.175 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H](CC)[NH+](CC)CC ZINC001298899223 1383442907 /nfs/dbraw/zinc/44/29/07/1383442907.db2.gz ULLBADGIMVPPIU-SFHVURJKSA-N 2 0 325.541 3.221 20 0 EGADRP [NH3+][C@H]1CCN(c2[nH+]c(N3CCCC3)cc3ccccc32)CC1(F)F ZINC001166960746 1383505610 /nfs/dbraw/zinc/50/56/10/1383505610.db2.gz LEGKRUHZYBBUBU-HNNXBMFYSA-N 2 0 332.398 3.008 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385872 1383618836 /nfs/dbraw/zinc/61/88/36/1383618836.db2.gz WNCMJMQOBCSRSU-VOFKWLDRSA-N 2 0 349.563 3.482 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC1(C[NH2+]CCC(C)C)CC1)C(C)C ZINC001167466477 1383641053 /nfs/dbraw/zinc/64/10/53/1383641053.db2.gz OUXNTCATAVAGNB-GOSISDBHSA-N 2 0 339.568 3.275 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001167471157 1383643176 /nfs/dbraw/zinc/64/31/76/1383643176.db2.gz YFGXDGCSRZKGES-XFFZJAGNSA-N 2 0 343.943 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167639578 1383695977 /nfs/dbraw/zinc/69/59/77/1383695977.db2.gz CLQYXUMHEDFLEN-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694241 1383712512 /nfs/dbraw/zinc/71/25/12/1383712512.db2.gz HONZXNOEKCSBCN-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742656 1383726863 /nfs/dbraw/zinc/72/68/63/1383726863.db2.gz RPXYECFZXIMTFE-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)NC2CCC2)CC1 ZINC001167826258 1383750259 /nfs/dbraw/zinc/75/02/59/1383750259.db2.gz NXEVNDFMJLOWOZ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2ncncc2C)C1 ZINC001167833890 1383753488 /nfs/dbraw/zinc/75/34/88/1383753488.db2.gz FLLFQAHLWJTNRK-MSOLQXFVSA-N 2 0 334.508 3.139 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001167835524 1383753999 /nfs/dbraw/zinc/75/39/99/1383753999.db2.gz HMMJEMOAZYLFNS-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1ccc(F)cn1)C1CC[NH2+]CC1 ZINC001167834971 1383754298 /nfs/dbraw/zinc/75/42/98/1383754298.db2.gz OBJFGJYCLYEDBS-MRXNPFEDSA-N 2 0 336.499 3.290 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2ccnc(OC)c2)CC1 ZINC001167835273 1383754350 /nfs/dbraw/zinc/75/43/50/1383754350.db2.gz QOCNNFVBKHPKKA-QGZVFWFLSA-N 2 0 349.519 3.444 20 0 EGADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001167943318 1383774597 /nfs/dbraw/zinc/77/45/97/1383774597.db2.gz LPOLKLFAQTWQFE-ROUUACIJSA-N 2 0 347.503 3.362 20 0 EGADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccccc1C(C)(C)[NH3+] ZINC001167946018 1383775747 /nfs/dbraw/zinc/77/57/47/1383775747.db2.gz XAOOYXAIXTYZQY-INIZCTEOSA-N 2 0 335.492 3.132 20 0 EGADRP COc1ccnc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167977349 1383784846 /nfs/dbraw/zinc/78/48/46/1383784846.db2.gz BIUWTAJSFIZIFV-AYHJJNSGSA-N 2 0 343.515 3.363 20 0 EGADRP CC(C)(C)OC(=O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167978222 1383785252 /nfs/dbraw/zinc/78/52/52/1383785252.db2.gz MUVFQGJVQWRHJF-ALOPSCKCSA-N 2 0 336.520 3.349 20 0 EGADRP CCOC(=O)[C@]1(C)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168003535 1383794355 /nfs/dbraw/zinc/79/43/55/1383794355.db2.gz OUTURRZUIUTYAK-NHJHPMQKSA-N 2 0 334.504 3.057 20 0 EGADRP C[C@H]1CC([NH2+]C[C@@H]2COC(C)(C)O2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168023902 1383799639 /nfs/dbraw/zinc/79/96/39/1383799639.db2.gz ZAPYNOTZFJIHKZ-TXPKVOOTSA-N 2 0 332.488 3.169 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168028907 1383800279 /nfs/dbraw/zinc/80/02/79/1383800279.db2.gz AEARBTIXFVGXKV-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP COC(=O)C1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168048542 1383804372 /nfs/dbraw/zinc/80/43/72/1383804372.db2.gz WZTWFHAOWXKTOO-IAGOWNOFSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059483 1383806955 /nfs/dbraw/zinc/80/69/55/1383806955.db2.gz UEFPMTJTSFJYCA-CEQLMSFQSA-N 3 0 341.543 3.456 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001168320582 1383872493 /nfs/dbraw/zinc/87/24/93/1383872493.db2.gz DRPQRIIVCLRBNU-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327224 1383874043 /nfs/dbraw/zinc/87/40/43/1383874043.db2.gz ZWLVSKLDQYDXLM-SFFCAUCYSA-N 2 0 349.563 3.339 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001168327397 1383874182 /nfs/dbraw/zinc/87/41/82/1383874182.db2.gz MGZJEUHUMNFNRN-CGZBRXJRSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328937 1383874565 /nfs/dbraw/zinc/87/45/65/1383874565.db2.gz MMKFRTCXDUYBRR-PHZLKFDYSA-N 3 0 341.543 3.313 20 0 EGADRP CCOC(=O)C1([N@H+](Cc2ccccc2)C2CCC([NH+](C)C)CC2)CC1 ZINC001168333886 1383876098 /nfs/dbraw/zinc/87/60/98/1383876098.db2.gz FIYJBZHRYJQMKR-UHFFFAOYSA-N 2 0 344.499 3.457 20 0 EGADRP Clc1ccccc1CN1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168366254 1383884595 /nfs/dbraw/zinc/88/45/95/1383884595.db2.gz MJFFRBRRZKRIGA-IBGZPJMESA-N 2 0 347.934 3.378 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[C@H]([NH+](C)C)CC3)CCO2)cc1 ZINC001168616468 1383948990 /nfs/dbraw/zinc/94/89/90/1383948990.db2.gz NHYCSIYXGJOKOW-CGBFIWBNSA-N 2 0 332.488 3.378 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH+]3CCC([NH+]4CCCC4)CC3)CCO2)cc1 ZINC001168627875 1383951336 /nfs/dbraw/zinc/95/13/36/1383951336.db2.gz CFRKICJOOGVNRA-FPOVZHCZSA-N 2 0 344.499 3.476 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CCCc1ccccc1)C(C)C ZINC001168653479 1383959101 /nfs/dbraw/zinc/95/91/01/1383959101.db2.gz SQCRJCXDMDARBF-HXUWFJFHSA-N 2 0 347.547 3.082 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168810100 1384014325 /nfs/dbraw/zinc/01/43/25/1384014325.db2.gz ZGEGWKLKGODCNY-WBVHZDCISA-N 2 0 339.524 3.094 20 0 EGADRP [NH3+]Cc1ccc2ncn(-c3ccc4c(c3)C3(CC4)CC[NH2+]CC3)c2c1 ZINC001168843715 1384031120 /nfs/dbraw/zinc/03/11/20/1384031120.db2.gz DKSZUFRQYAEYLQ-UHFFFAOYSA-N 2 0 332.451 3.052 20 0 EGADRP CC[NH+](CC)Cc1cc(-n2cnc3ccc(C[NH3+])cc32)ccc1OC ZINC001168846668 1384032048 /nfs/dbraw/zinc/03/20/48/1384032048.db2.gz SBTRJRRTMSMDJU-UHFFFAOYSA-N 2 0 338.455 3.335 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168886141 1384046532 /nfs/dbraw/zinc/04/65/32/1384046532.db2.gz XOCMLLOINKHXFL-HOTGVXAUSA-N 2 0 327.513 3.048 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3cc(Cl)ccc3nc1CCC[NH3+])C2 ZINC001169098928 1384106834 /nfs/dbraw/zinc/10/68/34/1384106834.db2.gz MMUXJOGUIWCHIW-FICVDOATSA-N 2 0 332.879 3.379 20 0 EGADRP Cc1ccc(F)c(CN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169112811 1384108787 /nfs/dbraw/zinc/10/87/87/1384108787.db2.gz SUQXBCKBOSBNPR-ACDBMABISA-N 2 0 345.506 3.313 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)C2 ZINC001169122891 1384110614 /nfs/dbraw/zinc/11/06/14/1384110614.db2.gz FWIMTBWPSUJXJS-BCDXTJNWSA-N 2 0 334.891 3.249 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccc(F)cc3)CC1)C2 ZINC001169139695 1384112346 /nfs/dbraw/zinc/11/23/46/1384112346.db2.gz DPBSPZMHSVWXGZ-BWTSREIZSA-N 2 0 332.463 3.432 20 0 EGADRP C[N@H+](Cc1ccccc1F)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169152689 1384115509 /nfs/dbraw/zinc/11/55/09/1384115509.db2.gz DHYMRCARFAEOCP-PMOLBWCYSA-N 2 0 345.506 3.347 20 0 EGADRP C[NH+](C)CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CCCC1 ZINC001308365074 1384122040 /nfs/dbraw/zinc/12/20/40/1384122040.db2.gz ATPYNKMRBCYNBG-UHFFFAOYSA-N 2 0 330.451 3.427 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(Cl)cc3F)c2)CC1 ZINC001308895805 1384157623 /nfs/dbraw/zinc/15/76/23/1384157623.db2.gz DBPRMUVXDNQADQ-UHFFFAOYSA-N 2 0 334.826 3.238 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001169664514 1384170268 /nfs/dbraw/zinc/17/02/68/1384170268.db2.gz OAHYHCIQEBMFPK-IEBWSBKVSA-N 2 0 347.503 3.094 20 0 EGADRP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001169664513 1384170449 /nfs/dbraw/zinc/17/04/49/1384170449.db2.gz OAHYHCIQEBMFPK-HKUYNNGSSA-N 2 0 347.503 3.094 20 0 EGADRP C[N@@H+]1CCCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3ncccc32)nc1 ZINC001169706796 1384175670 /nfs/dbraw/zinc/17/56/70/1384175670.db2.gz UTALRZCFJBXGPS-KRWDZBQOSA-N 2 0 335.455 3.079 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001169798914 1384187325 /nfs/dbraw/zinc/18/73/25/1384187325.db2.gz SPKVIAZWCVFQCD-QUCCMNQESA-N 2 0 345.531 3.162 20 0 EGADRP CCCC[NH+](CCCC)CCC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169857903 1384191900 /nfs/dbraw/zinc/19/19/00/1384191900.db2.gz SXDFYTSNGBPKQB-UHFFFAOYSA-N 2 0 346.581 3.224 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001169948113 1384202317 /nfs/dbraw/zinc/20/23/17/1384202317.db2.gz KNVGWVFTBDFAJL-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC2(C1)OCCO2 ZINC001169954462 1384204066 /nfs/dbraw/zinc/20/40/66/1384204066.db2.gz ATHSEHIHDZFEGU-UXHICEINSA-N 2 0 344.499 3.126 20 0 EGADRP C[N@H+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCC2(C1)OCCO2 ZINC001169966771 1384206548 /nfs/dbraw/zinc/20/65/48/1384206548.db2.gz WFJUPBHRNJUYEQ-IBGZPJMESA-N 2 0 336.520 3.401 20 0 EGADRP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)C1 ZINC001170137801 1384245748 /nfs/dbraw/zinc/24/57/48/1384245748.db2.gz OUMWPOYQCCPGOF-HOJAQTOUSA-N 2 0 343.515 3.326 20 0 EGADRP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239355 1384273809 /nfs/dbraw/zinc/27/38/09/1384273809.db2.gz MKGJCBVVEZXZJV-UWHLTILDSA-N 2 0 328.500 3.398 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170506239 1384330912 /nfs/dbraw/zinc/33/09/12/1384330912.db2.gz VDZLHCYMFVEPOH-UXHICEINSA-N 2 0 344.499 3.220 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001170523662 1384334916 /nfs/dbraw/zinc/33/49/16/1384334916.db2.gz HNPJQJKTDBMWKW-MOPGFXCFSA-N 2 0 336.520 3.210 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(NCc3cccc4ccnn43)cc2)CC1 ZINC001170707045 1384370712 /nfs/dbraw/zinc/37/07/12/1384370712.db2.gz APNFYGYBWRCFIC-UHFFFAOYSA-N 2 0 349.482 3.117 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001170784901 1384384337 /nfs/dbraw/zinc/38/43/37/1384384337.db2.gz MFDBXRIFBTYXED-IBGZPJMESA-N 2 0 335.536 3.237 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(CC)CC ZINC001170785976 1384385394 /nfs/dbraw/zinc/38/53/94/1384385394.db2.gz YAKBTEGZHKBUBP-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC/C=C\CC[NH2+]CCCNC(=O)CCC[NH+](CCC)CCC ZINC001170877054 1384402964 /nfs/dbraw/zinc/40/29/64/1384402964.db2.gz SGKNNSOCWSPSMN-FPLPWBNLSA-N 2 0 325.541 3.341 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CC(CC)CC ZINC001170877060 1384403205 /nfs/dbraw/zinc/40/32/05/1384403205.db2.gz SNSBLYBTWFZMTP-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP Cc1nc2sc(-c3ccccc3)cc2c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170898321 1384407470 /nfs/dbraw/zinc/40/74/70/1384407470.db2.gz SRKXPHSEMMFWDE-OAHLLOKOSA-N 2 0 327.457 3.102 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171069771 1384441258 /nfs/dbraw/zinc/44/12/58/1384441258.db2.gz VBMNEYKEEZKKBF-HNNXBMFYSA-N 2 0 339.549 3.488 20 0 EGADRP Clc1ccc2c(c1)CC[C@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001171115746 1384448860 /nfs/dbraw/zinc/44/88/60/1384448860.db2.gz FQYUPADUBMCDRE-IBGZPJMESA-N 2 0 327.859 3.415 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171120988 1384449641 /nfs/dbraw/zinc/44/96/41/1384449641.db2.gz QTTQKAPXVXECSF-OXUXSNCKSA-N 2 0 337.552 3.482 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001171160612 1384457682 /nfs/dbraw/zinc/45/76/82/1384457682.db2.gz HLZOTMXUMJLNOC-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237503 1384476683 /nfs/dbraw/zinc/47/66/83/1384476683.db2.gz QNTNHQWKTJDRDU-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171245962 1384477790 /nfs/dbraw/zinc/47/77/90/1384477790.db2.gz CMCOSARPYFGWSK-HKUYNNGSSA-N 2 0 337.552 3.458 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248204 1384478417 /nfs/dbraw/zinc/47/84/17/1384478417.db2.gz QVVBBHUPLQMHSB-YJBOKZPZSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253974 1384479260 /nfs/dbraw/zinc/47/92/60/1384479260.db2.gz OGWVYQHIJQKIIZ-QGZVFWFLSA-N 2 0 349.563 3.316 20 0 EGADRP [NH3+]Cc1ccc2cn(-c3cccc4c3C3(C=C4)CC[NH2+]CC3)nc2c1 ZINC001171322511 1384494380 /nfs/dbraw/zinc/49/43/80/1384494380.db2.gz YJIMRNKDIXDBDA-UHFFFAOYSA-N 2 0 330.435 3.132 20 0 EGADRP c1ccc(C[N@H+]2CCc3c(ccnc3NC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001171326974 1384495705 /nfs/dbraw/zinc/49/57/05/1384495705.db2.gz BARXNLXWIGAHDN-LJQANCHMSA-N 2 0 336.483 3.194 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001316636621 1384497868 /nfs/dbraw/zinc/49/78/68/1384497868.db2.gz PIWPTPRRPFXOQK-WDSOQIARSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1)[NH+](C)C ZINC001171358467 1384500855 /nfs/dbraw/zinc/50/08/55/1384500855.db2.gz HLBMANVOJFJBJJ-WMZOPIPTSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001171362184 1384502677 /nfs/dbraw/zinc/50/26/77/1384502677.db2.gz KUTWRQLMMASBSH-DLBZAZTESA-N 2 0 346.519 3.074 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001171368919 1384504089 /nfs/dbraw/zinc/50/40/89/1384504089.db2.gz UASMDZLHJALBPK-SJORKVTESA-N 2 0 327.557 3.273 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171505861 1384545181 /nfs/dbraw/zinc/54/51/81/1384545181.db2.gz NHBMSJATEKUDJC-TZMCWYRMSA-N 2 0 326.406 3.283 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC001171508539 1384545735 /nfs/dbraw/zinc/54/57/35/1384545735.db2.gz FJSRFPJJMLGFGT-AZUAARDMSA-N 2 0 347.547 3.408 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171586873 1384573283 /nfs/dbraw/zinc/57/32/83/1384573283.db2.gz USAKZIRJEMJASQ-INIZCTEOSA-N 2 0 327.557 3.418 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618651 1384581491 /nfs/dbraw/zinc/58/14/91/1384581491.db2.gz LUCHJNYKGSEYJQ-INIZCTEOSA-N 2 0 325.541 3.312 20 0 EGADRP C[NH+]1C(C)(C)CC(n2nc(-c3ccccc3)nc2CC[NH3+])CC1(C)C ZINC001171623286 1384583133 /nfs/dbraw/zinc/58/31/33/1384583133.db2.gz RJYNMRMAOYYHLB-UHFFFAOYSA-N 2 0 341.503 3.270 20 0 EGADRP Cc1cnccc1O[C@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641907 1384590079 /nfs/dbraw/zinc/59/00/79/1384590079.db2.gz VSPAPZFTUMCXHT-KRWDZBQOSA-N 2 0 331.504 3.495 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683612 1384601571 /nfs/dbraw/zinc/60/15/71/1384601571.db2.gz NFTHXQOJJLCKRA-HNNXBMFYSA-N 2 0 328.460 3.013 20 0 EGADRP Cc1ncn([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001171728937 1384615626 /nfs/dbraw/zinc/61/56/26/1384615626.db2.gz SFMCMCJARIYNTG-YJBOKZPZSA-N 2 0 344.528 3.219 20 0 EGADRP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC001171732433 1384618488 /nfs/dbraw/zinc/61/84/88/1384618488.db2.gz AINPHKQRZLKPOK-JBINPLMMSA-N 2 0 327.516 3.254 20 0 EGADRP C[C@H]1C[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001171765268 1384629672 /nfs/dbraw/zinc/62/96/72/1384629672.db2.gz XNGZNAPDCLUCST-CEWLAPEOSA-N 2 0 327.516 3.210 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812243 1384646318 /nfs/dbraw/zinc/64/63/18/1384646318.db2.gz NIZBFZPXMODTJP-HOTGVXAUSA-N 2 0 330.476 3.259 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931410 1384687133 /nfs/dbraw/zinc/68/71/33/1384687133.db2.gz UKSCVVKPORGYNI-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973897 1384699398 /nfs/dbraw/zinc/69/93/98/1384699398.db2.gz ATIRWUAOBZPMOQ-QYZOEREBSA-N 2 0 344.499 3.361 20 0 EGADRP CCOC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973147 1384699588 /nfs/dbraw/zinc/69/95/88/1384699588.db2.gz WMXDDHKHASTQMM-SJLPKXTDSA-N 2 0 332.488 3.361 20 0 EGADRP C[N@@H+]1CC[C@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061637 1384714501 /nfs/dbraw/zinc/71/45/01/1384714501.db2.gz ICCWYPANLXDLSY-NCYKPQTJSA-N 2 0 327.516 3.113 20 0 EGADRP CC(C)(C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172063709 1384715382 /nfs/dbraw/zinc/71/53/82/1384715382.db2.gz CQPSMMZUMAIROF-FCGDIQPGSA-N 2 0 343.515 3.062 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+]4CCC2CC4)C3)cc1 ZINC001172081910 1384723067 /nfs/dbraw/zinc/72/30/67/1384723067.db2.gz ICIRMTVXVQKWPH-KOUNCHBCSA-N 2 0 339.527 3.352 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)C2 ZINC001172110729 1384729513 /nfs/dbraw/zinc/72/95/13/1384729513.db2.gz NVWIDMWEEBTCJU-PHZGNYQRSA-N 2 0 339.524 3.285 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(Cc3cccc(F)c3)CC1)C2 ZINC001172110611 1384730230 /nfs/dbraw/zinc/73/02/30/1384730230.db2.gz KXGMTHYZVUNPMB-ACDBMABISA-N 2 0 345.506 3.177 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]31)C2 ZINC001172118047 1384732567 /nfs/dbraw/zinc/73/25/67/1384732567.db2.gz UFPROLXCRUVMBK-XHCJJCCMSA-N 2 0 348.531 3.050 20 0 EGADRP COc1ccccc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121749 1384733829 /nfs/dbraw/zinc/73/38/29/1384733829.db2.gz LXBUEWHJIQDWHR-MLHJIOFPSA-N 2 0 330.472 3.164 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(COc4ccccc43)CC1)C2 ZINC001172122438 1384734297 /nfs/dbraw/zinc/73/42/97/1384734297.db2.gz BBLXUDSNZMTAOY-PIIMJCKOSA-N 2 0 326.484 3.428 20 0 EGADRP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172130420 1384738070 /nfs/dbraw/zinc/73/80/70/1384738070.db2.gz PBFIOCKENPIRHD-YSTOQKLRSA-N 2 0 348.531 3.447 20 0 EGADRP c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)CS2 ZINC001172196087 1384745134 /nfs/dbraw/zinc/74/51/34/1384745134.db2.gz DGHLKYLIFBIMRT-LJQANCHMSA-N 2 0 346.540 3.184 20 0 EGADRP CC[C@H](CC(C)C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001172399386 1384783718 /nfs/dbraw/zinc/78/37/18/1384783718.db2.gz GQZPAMULPPDYFF-GOSISDBHSA-N 2 0 348.535 3.114 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001172776442 1384849528 /nfs/dbraw/zinc/84/95/28/1384849528.db2.gz GCQHNZUFHLJARL-RBUKOAKNSA-N 2 0 336.520 3.210 20 0 EGADRP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001317098531 1384861340 /nfs/dbraw/zinc/86/13/40/1384861340.db2.gz UWQIEWPFBBQPCW-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP CO[C@H]1CCC[C@@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)C1 ZINC001172929030 1384881337 /nfs/dbraw/zinc/88/13/37/1384881337.db2.gz NBKOTDNUCJKYNS-BATLZEKGSA-N 2 0 336.460 3.080 20 0 EGADRP [NH3+]C1(Cc2ccccn2)CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173045516 1384899262 /nfs/dbraw/zinc/89/92/62/1384899262.db2.gz XZLKEBPKCGFPGF-UHFFFAOYSA-N 2 0 343.515 3.157 20 0 EGADRP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001173081966 1384910323 /nfs/dbraw/zinc/91/03/23/1384910323.db2.gz HZSOAFGNJZTYHC-UKRRQHHQSA-N 2 0 330.394 3.448 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(OC3COC3)cc2)CC1 ZINC001173103985 1384915575 /nfs/dbraw/zinc/91/55/75/1384915575.db2.gz YSBLGJYFBQFOML-UHFFFAOYSA-N 2 0 332.488 3.207 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001173106287 1384915638 /nfs/dbraw/zinc/91/56/38/1384915638.db2.gz SJXSHUQNCGWTBN-FHERZECASA-N 2 0 327.513 3.142 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCCN(c3ccccn3)C2)CC1 ZINC001173106783 1384916043 /nfs/dbraw/zinc/91/60/43/1384916043.db2.gz FLBOXMGDOLUUAA-XBMUEBEBSA-N 2 0 330.520 3.293 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CC(N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001173108832 1384916195 /nfs/dbraw/zinc/91/61/95/1384916195.db2.gz RTBQRXUWSJUQKD-UHFFFAOYSA-N 2 0 339.524 3.191 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(Oc3cc(C)ncn3)CC2)CC1 ZINC001173112551 1384916721 /nfs/dbraw/zinc/91/67/21/1384916721.db2.gz AAZMOJOZAWKGQQ-UHFFFAOYSA-N 2 0 346.519 3.281 20 0 EGADRP CCc1ccc(C[C@@H](C)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC001173245688 1384944735 /nfs/dbraw/zinc/94/47/35/1384944735.db2.gz URDHVIZGXAEUAO-CRAIPNDOSA-N 2 0 349.519 3.359 20 0 EGADRP CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001173261037 1384946254 /nfs/dbraw/zinc/94/62/54/1384946254.db2.gz NSJALXCNTOONLW-HSALFYBXSA-N 2 0 340.552 3.260 20 0 EGADRP CC[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001173276559 1384948776 /nfs/dbraw/zinc/94/87/76/1384948776.db2.gz IWRUSIMZVUTQPZ-PKOBYXMFSA-N 2 0 330.520 3.429 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cc(C)ccc1C ZINC001317180223 1384955249 /nfs/dbraw/zinc/95/52/49/1384955249.db2.gz IUSSZHDSLUNAGH-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001317191174 1384965300 /nfs/dbraw/zinc/96/53/00/1384965300.db2.gz BNXHNOVFVYWOTQ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001173447538 1384972642 /nfs/dbraw/zinc/97/26/42/1384972642.db2.gz YHWXUHHKAMWZLX-KRWDZBQOSA-N 2 0 347.503 3.005 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]C1CC[NH+](CC3CCC3)CC1)CC2 ZINC001173604327 1384986430 /nfs/dbraw/zinc/98/64/30/1384986430.db2.gz MGFMLRFKQJSCAZ-MOMVYJMYSA-N 2 0 348.531 3.353 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173743728 1385012513 /nfs/dbraw/zinc/01/25/13/1385012513.db2.gz MPKXUWSQJHPJMB-DSLXNQLJSA-N 2 0 346.523 3.061 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173743735 1385012736 /nfs/dbraw/zinc/01/27/36/1385012736.db2.gz MPKXUWSQJHPJMB-WNHJNPCNSA-N 2 0 346.523 3.061 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905193 1385168384 /nfs/dbraw/zinc/16/83/84/1385168384.db2.gz HFSGHENTEFXBQD-SQNIBIBYSA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906697 1385168638 /nfs/dbraw/zinc/16/86/38/1385168638.db2.gz WUCKBIDURUDBCP-FHWLQOOXSA-N 2 0 339.568 3.418 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928932 1385171382 /nfs/dbraw/zinc/17/13/82/1385171382.db2.gz NDCDIMPZPCLEIA-CVEARBPZSA-N 2 0 337.508 3.266 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001174949383 1385173501 /nfs/dbraw/zinc/17/35/01/1385173501.db2.gz QUPFDGALEPDQJY-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001174962983 1385175577 /nfs/dbraw/zinc/17/55/77/1385175577.db2.gz WJPGIRSZTJSGOK-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317482739 1385179413 /nfs/dbraw/zinc/17/94/13/1385179413.db2.gz WTMXVSHFDDADJO-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CC[NH+](C)C ZINC001175049865 1385186337 /nfs/dbraw/zinc/18/63/37/1385186337.db2.gz YNRCUPKUYXXTQH-ADKAHSJRSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c(C)c1 ZINC001175049285 1385186449 /nfs/dbraw/zinc/18/64/49/1385186449.db2.gz SILYHUBENQFTCK-GOSISDBHSA-N 2 0 333.520 3.020 20 0 EGADRP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c(C)s1 ZINC001175056929 1385187679 /nfs/dbraw/zinc/18/76/79/1385187679.db2.gz QZFZSXDDRHUNHP-CQSZACIVSA-N 2 0 339.549 3.081 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001175106014 1385195675 /nfs/dbraw/zinc/19/56/75/1385195675.db2.gz CSGFWTMKNCNTEX-UYAOXDASSA-N 2 0 347.547 3.346 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001175262305 1385233578 /nfs/dbraw/zinc/23/35/78/1385233578.db2.gz FPNUBOCHTDXWNA-OALUTQOASA-N 2 0 345.531 3.101 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262573 1385233803 /nfs/dbraw/zinc/23/38/03/1385233803.db2.gz HQYCDLICEIWEDN-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264765 1385234604 /nfs/dbraw/zinc/23/46/04/1385234604.db2.gz VVZIACXBVXMYFY-MJGOQNOKSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001175317176 1385251192 /nfs/dbraw/zinc/25/11/92/1385251192.db2.gz MFHSFFPYQRWWOE-WMZOPIPTSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001175769941 1385399560 /nfs/dbraw/zinc/39/95/60/1385399560.db2.gz WIFYSWBZWPMSIY-GOSISDBHSA-N 2 0 333.520 3.101 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001175770154 1385399971 /nfs/dbraw/zinc/39/99/71/1385399971.db2.gz XUPQWJMUAAVNGT-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001175787741 1385406112 /nfs/dbraw/zinc/40/61/12/1385406112.db2.gz WSYAYZRNDHWSEC-IBGZPJMESA-N 2 0 347.547 3.226 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967886 1385447474 /nfs/dbraw/zinc/44/74/74/1385447474.db2.gz OVLLORLUYBMILP-QZTJIDSGSA-N 2 0 339.568 3.418 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176024524 1385464119 /nfs/dbraw/zinc/46/41/19/1385464119.db2.gz PEVATYLTQSLVDC-ZWKOTPCHSA-N 2 0 327.557 3.275 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176024753 1385464306 /nfs/dbraw/zinc/46/43/06/1385464306.db2.gz ROJJMYDMWGIADC-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164339 1385500255 /nfs/dbraw/zinc/50/02/55/1385500255.db2.gz ARXNNZDLXXGMOO-IAGOWNOFSA-N 2 0 337.552 3.029 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192592 1385507937 /nfs/dbraw/zinc/50/79/37/1385507937.db2.gz MZSZTNUVESTZER-LXXRFIIISA-N 2 0 346.519 3.382 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001317839871 1385525419 /nfs/dbraw/zinc/52/54/19/1385525419.db2.gz MBMSXKDSPFFAEH-INIZCTEOSA-N 2 0 349.544 3.004 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176285033 1385539075 /nfs/dbraw/zinc/53/90/75/1385539075.db2.gz LXIPEQBGUBHAHE-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001317988274 1385601949 /nfs/dbraw/zinc/60/19/49/1385601949.db2.gz SGTNQNRGRINOBQ-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564136 1385626129 /nfs/dbraw/zinc/62/61/29/1385626129.db2.gz LWMXLKCPDFYUAX-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566149 1385627191 /nfs/dbraw/zinc/62/71/91/1385627191.db2.gz YWVKOIUXRNQUBQ-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566216 1385627465 /nfs/dbraw/zinc/62/74/65/1385627465.db2.gz ZQEYBSHRKXFGSY-PKOBYXMFSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCCC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001176591915 1385635093 /nfs/dbraw/zinc/63/50/93/1385635093.db2.gz SQXKGXIIBLATSH-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629146 1385643324 /nfs/dbraw/zinc/64/33/24/1385643324.db2.gz SNFNEYUMTSMTTD-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP C[NH+](C)CC(C)(C)CNC(=S)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001318373947 1385658135 /nfs/dbraw/zinc/65/81/35/1385658135.db2.gz HRAZRHUGSFQYON-UHFFFAOYSA-N 2 0 348.560 3.157 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176736336 1385675798 /nfs/dbraw/zinc/67/57/98/1385675798.db2.gz AIPFUOGCCCTVPU-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001698612225 1406242250 /nfs/dbraw/zinc/24/22/50/1406242250.db2.gz HTSUYARINGGOOT-OALUTQOASA-N 2 0 347.547 3.309 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760071 1385686638 /nfs/dbraw/zinc/68/66/38/1385686638.db2.gz POCIEZYUZWYIAV-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815979 1385711984 /nfs/dbraw/zinc/71/19/84/1385711984.db2.gz VRSCBXYOVMOUKT-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CCCc1ccc(C[NH2+]CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001176844913 1385722196 /nfs/dbraw/zinc/72/21/96/1385722196.db2.gz ORIHPRGKSBJVJO-QZTJIDSGSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001176884523 1385730863 /nfs/dbraw/zinc/73/08/63/1385730863.db2.gz LPOWYOJDQAYKSR-OALUTQOASA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001318537584 1385742440 /nfs/dbraw/zinc/74/24/40/1385742440.db2.gz LWSRTGOXRLCAMK-APWZRJJASA-N 2 0 345.487 3.003 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001176991445 1385765824 /nfs/dbraw/zinc/76/58/24/1385765824.db2.gz BBLORDDQRRJBBG-MOPGFXCFSA-N 2 0 331.504 3.108 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997682 1385769190 /nfs/dbraw/zinc/76/91/90/1385769190.db2.gz WSYGYUOFXWYAQW-LIXSYLKWSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H](F)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177402231 1385943880 /nfs/dbraw/zinc/94/38/80/1385943880.db2.gz KAVDATQPUPEYRV-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP C[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC001177416562 1385949727 /nfs/dbraw/zinc/94/97/27/1385949727.db2.gz SBURKPHMWDGVKO-SBHAEUEKSA-N 2 0 329.532 3.219 20 0 EGADRP CC[C@@H](C(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1)[NH+](C)C ZINC001177416072 1385949891 /nfs/dbraw/zinc/94/98/91/1385949891.db2.gz TVYCOAJBGBMURQ-ZBZNSMLMSA-N 2 0 343.943 3.078 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177456368 1385962461 /nfs/dbraw/zinc/96/24/61/1385962461.db2.gz SGQHQBHMDCMVBG-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CCC[NH2+]CC=C(C)C)CC1CCCC1 ZINC001177455763 1385962774 /nfs/dbraw/zinc/96/27/74/1385962774.db2.gz HFHPWSDQLJWISJ-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001177489058 1385976552 /nfs/dbraw/zinc/97/65/52/1385976552.db2.gz SDSIFSFDUJXGOL-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[C@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001177790316 1386046082 /nfs/dbraw/zinc/04/60/82/1386046082.db2.gz BIKTWZYALBYQAC-UXHICEINSA-N 2 0 329.532 3.328 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001178045919 1386115555 /nfs/dbraw/zinc/11/55/55/1386115555.db2.gz ZJAJCFRAHKJJBB-ICSRJNTNSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC001178171131 1386149324 /nfs/dbraw/zinc/14/93/24/1386149324.db2.gz PKEUBMFVEKJVTG-LEWJYISDSA-N 2 0 330.516 3.353 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001319559481 1386178054 /nfs/dbraw/zinc/17/80/54/1386178054.db2.gz SBSBPMFZTPMMGM-IRXDYDNUSA-N 2 0 345.531 3.015 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001319558983 1386178530 /nfs/dbraw/zinc/17/85/30/1386178530.db2.gz CHYXEVVHQYNMQQ-UZLBHIALSA-N 2 0 341.499 3.117 20 0 EGADRP Cc1cc(Cl)ccc1CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001178377082 1386200682 /nfs/dbraw/zinc/20/06/82/1386200682.db2.gz CWCBRNMANXAXJS-UHFFFAOYSA-N 2 0 330.863 3.407 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178523418 1386240698 /nfs/dbraw/zinc/24/06/98/1386240698.db2.gz YREZGJREQCUHMZ-IPMKNSEASA-N 2 0 339.568 3.275 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001178693388 1386279619 /nfs/dbraw/zinc/27/96/19/1386279619.db2.gz PKQYNBXGIPNBNH-CEXWTWQISA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CC1CCCCC1)C1CC1 ZINC001178698678 1386281337 /nfs/dbraw/zinc/28/13/37/1386281337.db2.gz QOQZYWDJJMLCQG-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001178701719 1386283532 /nfs/dbraw/zinc/28/35/32/1386283532.db2.gz BEXFGZYUDWEOLG-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810574 1386313717 /nfs/dbraw/zinc/31/37/17/1386313717.db2.gz HBJQTYGFBNZERR-UXHICEINSA-N 2 0 349.563 3.460 20 0 EGADRP CCc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001178815377 1386315245 /nfs/dbraw/zinc/31/52/45/1386315245.db2.gz AWMQCVOSRPFBEY-HXUWFJFHSA-N 2 0 347.547 3.355 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001178815932 1386316294 /nfs/dbraw/zinc/31/62/94/1386316294.db2.gz OWQZSTMKYWOYKY-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1c(C(=O)NCCCCCC[NH2+]CC2CCC2)ccc2c[nH+]cn21 ZINC001178908387 1386345656 /nfs/dbraw/zinc/34/56/56/1386345656.db2.gz PBZHIIJHRZMIGH-UHFFFAOYSA-N 2 0 342.487 3.323 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001179134665 1386407388 /nfs/dbraw/zinc/40/73/88/1386407388.db2.gz QDOYWBJTJKHQCA-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP Cc1cc(Cl)cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC001179338393 1386455610 /nfs/dbraw/zinc/45/56/10/1386455610.db2.gz HIMIISKMOZOYKY-UHFFFAOYSA-N 2 0 330.863 3.407 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001179392345 1386472786 /nfs/dbraw/zinc/47/27/86/1386472786.db2.gz DOUJKNLSFNRQGT-QRVBRYPASA-N 2 0 349.563 3.031 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CCC2CCCC2)CC1 ZINC001179395759 1386474379 /nfs/dbraw/zinc/47/43/79/1386474379.db2.gz RYHANVKYXPDYHR-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)cc1 ZINC001179399711 1386475012 /nfs/dbraw/zinc/47/50/12/1386475012.db2.gz FSKWYGJGYKIUCT-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409160 1386477928 /nfs/dbraw/zinc/47/79/28/1386477928.db2.gz HPSQEUMBVSVMRN-KHLCDENLSA-N 2 0 335.536 3.042 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCCC2CCC2)CC1 ZINC001179464561 1386488836 /nfs/dbraw/zinc/48/88/36/1386488836.db2.gz XZAKAFLOKYOQIO-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1 ZINC001179585090 1386523486 /nfs/dbraw/zinc/52/34/86/1386523486.db2.gz CGQSYTGFRGHCIP-QGZVFWFLSA-N 2 0 325.541 3.031 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179585238 1386523561 /nfs/dbraw/zinc/52/35/61/1386523561.db2.gz DXQWAMZJNORTJR-SFHVURJKSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179590701 1386525860 /nfs/dbraw/zinc/52/58/60/1386525860.db2.gz KZFUFVDEVPHVQK-HKUYNNGSSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001179745755 1386569983 /nfs/dbraw/zinc/56/99/83/1386569983.db2.gz GPEIERQLPWOIIW-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001179746808 1386571163 /nfs/dbraw/zinc/57/11/63/1386571163.db2.gz YNBNCMWGWUNCJB-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001179825661 1386598242 /nfs/dbraw/zinc/59/82/42/1386598242.db2.gz NMVGNTUVGPDGGR-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)C(C)C ZINC001179843128 1386604925 /nfs/dbraw/zinc/60/49/25/1386604925.db2.gz VOSNKUSWRWSQSI-ZWKOTPCHSA-N 2 0 345.547 3.367 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)F)[C@@H]1C ZINC001179903327 1386623154 /nfs/dbraw/zinc/62/31/54/1386623154.db2.gz IEFFUTMCBBZGTI-SQNIBIBYSA-N 2 0 343.531 3.216 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1ccc(F)cc1 ZINC001179959024 1386648943 /nfs/dbraw/zinc/64/89/43/1386648943.db2.gz UUJXERMZNVIPNH-GJYPPUQNSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001179988243 1386660061 /nfs/dbraw/zinc/66/00/61/1386660061.db2.gz DQUVEJCWACNMES-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC ZINC001180035742 1386676147 /nfs/dbraw/zinc/67/61/47/1386676147.db2.gz QJHWZNJSLBXPTL-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCCCCC[NH2+]C(C)C)c1ccccc1 ZINC001180039715 1386677262 /nfs/dbraw/zinc/67/72/62/1386677262.db2.gz IIEUPBKRVMWDPW-LJQANCHMSA-N 2 0 333.520 3.354 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065536 1386685063 /nfs/dbraw/zinc/68/50/63/1386685063.db2.gz REJOINRFNQAEEF-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP Cn1cncc1CC(=O)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001180065681 1386685321 /nfs/dbraw/zinc/68/53/21/1386685321.db2.gz XPCXTUHDDZUZLY-UHFFFAOYSA-N 2 0 348.535 3.199 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001180100560 1386696627 /nfs/dbraw/zinc/69/66/27/1386696627.db2.gz PSNKQTAIZKYKCW-UHFFFAOYSA-N 2 0 347.494 3.030 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001320739848 1386705866 /nfs/dbraw/zinc/70/58/66/1386705866.db2.gz ODJMMWJQDRSJGU-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001180204171 1386732081 /nfs/dbraw/zinc/73/20/81/1386732081.db2.gz JXFBOXMDJMGMIB-LPHOPBHVSA-N 2 0 345.531 3.377 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](C)CC2CCCCC2)CC1 ZINC001180207992 1386733018 /nfs/dbraw/zinc/73/30/18/1386733018.db2.gz DAGUALIAUYQHSM-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001320840970 1386734742 /nfs/dbraw/zinc/73/47/42/1386734742.db2.gz ONEYWBBXMOZMJH-GOSISDBHSA-N 2 0 347.547 3.472 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)cc1 ZINC001180226831 1386739021 /nfs/dbraw/zinc/73/90/21/1386739021.db2.gz ONKGJHUQYOQAIA-PXNSSMCTSA-N 2 0 345.531 3.058 20 0 EGADRP CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001180257394 1386748767 /nfs/dbraw/zinc/74/87/67/1386748767.db2.gz NLBACEHMKOAOOS-RDJZCZTQSA-N 2 0 335.492 3.114 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180294446 1386757642 /nfs/dbraw/zinc/75/76/42/1386757642.db2.gz HHEUYWKSLDXAMA-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180353018 1386772668 /nfs/dbraw/zinc/77/26/68/1386772668.db2.gz YIDDPLAIKBCXKB-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180360516 1386774014 /nfs/dbraw/zinc/77/40/14/1386774014.db2.gz GTVOOOXBAIGERU-SFHVURJKSA-N 2 0 325.541 3.175 20 0 EGADRP COC(=O)c1cccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001321088691 1386806500 /nfs/dbraw/zinc/80/65/00/1386806500.db2.gz HMOPMZMIBKFBDI-UHFFFAOYSA-N 2 0 332.488 3.321 20 0 EGADRP CCN1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC001181453627 1386996244 /nfs/dbraw/zinc/99/62/44/1386996244.db2.gz ALKBHKONCADRGB-NRFANRHFSA-N 2 0 329.532 3.492 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321850379 1386996510 /nfs/dbraw/zinc/99/65/10/1386996510.db2.gz XSWQDKYQTXZQIW-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)C23CC(C2)CC[N@@H+]3Cc2ccccc2)cc1 ZINC001181490157 1387004051 /nfs/dbraw/zinc/00/40/51/1387004051.db2.gz DFOFMGVFFUCTSW-UHFFFAOYSA-N 2 0 349.478 3.399 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001322079970 1387047034 /nfs/dbraw/zinc/04/70/34/1387047034.db2.gz MUXWVSKFMZCBKY-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001181792701 1387055454 /nfs/dbraw/zinc/05/54/54/1387055454.db2.gz IOHGXJHJHMTKRS-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC001181863331 1387065679 /nfs/dbraw/zinc/06/56/79/1387065679.db2.gz ODDYSTPNHDWXCP-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001181868777 1387067272 /nfs/dbraw/zinc/06/72/72/1387067272.db2.gz QBLUGHPXRALTTL-HDICACEKSA-N 2 0 325.541 3.268 20 0 EGADRP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181941500 1387079819 /nfs/dbraw/zinc/07/98/19/1387079819.db2.gz JVSPTFYRJWWJHT-OXQOHEQNSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N(C)CC[NH+]1CCCC1)c1ccccc1 ZINC001182233884 1387128352 /nfs/dbraw/zinc/12/83/52/1387128352.db2.gz KHLPROJUXURPRX-FQEVSTJZSA-N 2 0 345.531 3.404 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623066 1387198525 /nfs/dbraw/zinc/19/85/25/1387198525.db2.gz AEIOBPOGOFEYJI-SQGPQFPESA-N 2 0 339.568 3.085 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001182933004 1387248227 /nfs/dbraw/zinc/24/82/27/1387248227.db2.gz GZLLBWHADIVDQJ-LVCYWYKZSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001329256499 1389037698 /nfs/dbraw/zinc/03/76/98/1389037698.db2.gz HHVPXPBSXFDPDK-ACBHZAAOSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001698714016 1406356981 /nfs/dbraw/zinc/35/69/81/1406356981.db2.gz AHMSUGOYUOATHQ-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](CC2CCCC2)CC1)Nc1ccccc1F ZINC001336724581 1389147618 /nfs/dbraw/zinc/14/76/18/1389147618.db2.gz VXAXIAGYSUSDCE-UHFFFAOYSA-N 2 0 347.478 3.399 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]([NH3+])C3CCCCC3)cc21 ZINC001329567874 1389159570 /nfs/dbraw/zinc/15/95/70/1389159570.db2.gz CSKFBUKYFPOSLI-IBGZPJMESA-N 2 0 342.487 3.049 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001336779185 1389167538 /nfs/dbraw/zinc/16/75/38/1389167538.db2.gz IGLUODSFMWTTHQ-MLGOLLRUSA-N 2 0 328.859 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1 ZINC001698718099 1406362326 /nfs/dbraw/zinc/36/23/26/1406362326.db2.gz QYHHVTSFJIVEIB-WGSAOQKQSA-N 2 0 349.494 3.075 20 0 EGADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001337472494 1389360000 /nfs/dbraw/zinc/36/00/00/1389360000.db2.gz PERPUDMDJNHQLD-KRWDZBQOSA-N 2 0 338.499 3.247 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CCCC2CCC2)CC1 ZINC001698725183 1406374435 /nfs/dbraw/zinc/37/44/35/1406374435.db2.gz VGLAMYBVJFPSQN-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001698724635 1406373745 /nfs/dbraw/zinc/37/37/45/1406373745.db2.gz NSNHICCZWOYIMQ-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001698730596 1406380409 /nfs/dbraw/zinc/38/04/09/1406380409.db2.gz PYDNVXWDDDNEMM-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC001330793327 1389529248 /nfs/dbraw/zinc/52/92/48/1389529248.db2.gz IHPQYHGWRORKBY-BXGCZWRVSA-N 2 0 329.669 3.417 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@H+](C)C/C=C\Cl)CC2)cc1 ZINC001331059166 1389615254 /nfs/dbraw/zinc/61/52/54/1389615254.db2.gz JYLHZUMFFLHHJF-WCIBSUBMSA-N 2 0 349.906 3.037 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2(O)CCCCC2)c1 ZINC001338459693 1389687810 /nfs/dbraw/zinc/68/78/10/1389687810.db2.gz FCEHKRUKKMODFH-HXUWFJFHSA-N 2 0 348.531 3.063 20 0 EGADRP CC(C)[NH+](CCCNC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])C(C)C ZINC001338568576 1389709225 /nfs/dbraw/zinc/70/92/25/1389709225.db2.gz VMQZUNHACQGRMR-QZTJIDSGSA-N 2 0 340.556 3.044 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001698750532 1406401716 /nfs/dbraw/zinc/40/17/16/1406401716.db2.gz YTUUXAPXPZXHMO-PXNSSMCTSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]2CCCCC2)cc1 ZINC001331645355 1389843194 /nfs/dbraw/zinc/84/31/94/1389843194.db2.gz XDQQZGCAPNLQGI-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001331916145 1389909267 /nfs/dbraw/zinc/90/92/67/1389909267.db2.gz DCWGCMKWDOCKMG-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1CCCC(C)(C)C ZINC001332185858 1390029217 /nfs/dbraw/zinc/02/92/17/1390029217.db2.gz RMBQFRKFPVTTDW-MSOLQXFVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CCC1CC1 ZINC001332221084 1390053260 /nfs/dbraw/zinc/05/32/60/1390053260.db2.gz WUGMKKGKFUDSJW-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC001332882321 1390208408 /nfs/dbraw/zinc/20/84/08/1390208408.db2.gz XALOHPDASMDRJM-VAIUHQNPSA-N 2 0 340.511 3.444 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC001340841933 1390382441 /nfs/dbraw/zinc/38/24/41/1390382441.db2.gz BAWVGQWQDIAZLN-NEWSRXKRSA-N 2 0 329.488 3.040 20 0 EGADRP C[C@@H]1C[C@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC[NH2+]1 ZINC001341552251 1390500994 /nfs/dbraw/zinc/50/09/94/1390500994.db2.gz KORIAUQAQHDMIU-LZLYRXPVSA-N 2 0 329.488 3.245 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001334723473 1390574737 /nfs/dbraw/zinc/57/47/37/1390574737.db2.gz DYDJNFLTJHMZFU-JENIJYKNSA-N 2 0 342.462 3.309 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335430095 1390683863 /nfs/dbraw/zinc/68/38/63/1390683863.db2.gz KTHUQTPSIBLHAP-BBRMVZONSA-N 2 0 330.394 3.060 20 0 EGADRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC001346122265 1390909295 /nfs/dbraw/zinc/90/92/95/1390909295.db2.gz DQBFKXMXNOIKAC-IBGZPJMESA-N 2 0 332.875 3.095 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCCC1)[NH+](C)C ZINC001698806436 1406488110 /nfs/dbraw/zinc/48/81/10/1406488110.db2.gz NEZIJFFVZHRZQK-DAWZGUTISA-N 2 0 337.552 3.172 20 0 EGADRP Cn1c2ccccc2n(C[N@@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001352759882 1391843683 /nfs/dbraw/zinc/84/36/83/1391843683.db2.gz HJCLLSWIGAYHIK-BZUAXINKSA-N 2 0 344.528 3.329 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001698862972 1406574280 /nfs/dbraw/zinc/57/42/80/1406574280.db2.gz XTSUACVWKMYKSX-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001480304294 1392668113 /nfs/dbraw/zinc/66/81/13/1392668113.db2.gz XEEDUJRHXUAQQL-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1C ZINC001480359229 1392704304 /nfs/dbraw/zinc/70/43/04/1392704304.db2.gz KKJJQWCAMJKNTK-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480733632 1392897704 /nfs/dbraw/zinc/89/77/04/1392897704.db2.gz QEQZMTZRTTYUGL-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480734094 1392899210 /nfs/dbraw/zinc/89/92/10/1392899210.db2.gz YPLYFGAEIQBDNN-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1ccccc1 ZINC001480813759 1392951271 /nfs/dbraw/zinc/95/12/71/1392951271.db2.gz KMBFJZLXMQKAFL-KRWDZBQOSA-N 2 0 339.483 3.046 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001698948288 1406688346 /nfs/dbraw/zinc/68/83/46/1406688346.db2.gz VDNJNFSMQHZUGN-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001490833231 1394357562 /nfs/dbraw/zinc/35/75/62/1394357562.db2.gz WUHKOIKYWQGIAF-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001491128231 1394443921 /nfs/dbraw/zinc/44/39/21/1394443921.db2.gz KOPMQBZBDVELRX-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001481779645 1394524274 /nfs/dbraw/zinc/52/42/74/1394524274.db2.gz VGTWNOCPFARNHL-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481869379 1394568800 /nfs/dbraw/zinc/56/88/00/1394568800.db2.gz KYJKGNYVSSWHHE-QZTJIDSGSA-N 2 0 339.568 3.273 20 0 EGADRP C[C@@H]([NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001482002591 1394662459 /nfs/dbraw/zinc/66/24/59/1394662459.db2.gz OVIFWHHBGWGFOD-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)CC(C)(C)C ZINC001482020723 1394678030 /nfs/dbraw/zinc/67/80/30/1394678030.db2.gz KQGDMDQFJLRMLP-WGSAOQKQSA-N 2 0 345.531 3.182 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001482026671 1394684625 /nfs/dbraw/zinc/68/46/25/1394684625.db2.gz ZVOOEUCTMUEHAF-MXVIHJGJSA-N 2 0 343.515 3.080 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001483907980 1395139348 /nfs/dbraw/zinc/13/93/48/1395139348.db2.gz DXROXMOYNVAJGM-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2(C)CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001483972195 1395169618 /nfs/dbraw/zinc/16/96/18/1395169618.db2.gz JNOPLXVTDQXTGW-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCC2CCCC2)C1 ZINC001484151935 1395288925 /nfs/dbraw/zinc/28/89/25/1395288925.db2.gz HTBGLYVYNBOPGC-CTNGQTDRSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001484158637 1395293398 /nfs/dbraw/zinc/29/33/98/1395293398.db2.gz GCUUDPDUIJHFMD-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484757666 1395509410 /nfs/dbraw/zinc/50/94/10/1395509410.db2.gz QYCBRHICBVQMGZ-INIZCTEOSA-N 2 0 349.494 3.009 20 0 EGADRP CCC(CC)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001485765571 1396141220 /nfs/dbraw/zinc/14/12/20/1396141220.db2.gz UQQSQZWJANWYRG-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857647 1396500442 /nfs/dbraw/zinc/50/04/42/1396500442.db2.gz UQGRXJBGDSRGKE-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001498370076 1396976953 /nfs/dbraw/zinc/97/69/53/1396976953.db2.gz UPFGJJBIHJOEEG-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001498370078 1396978443 /nfs/dbraw/zinc/97/84/43/1396978443.db2.gz UPFGJJBIHJOEEG-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001690255814 1404432795 /nfs/dbraw/zinc/43/27/95/1404432795.db2.gz YKEMRHGBDRVZDF-PXNSSMCTSA-N 2 0 345.531 3.403 20 0 EGADRP CC[C@H]([NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1)c1ccccc1 ZINC001690542928 1404627461 /nfs/dbraw/zinc/62/74/61/1404627461.db2.gz IGRFQTQMNDMDBZ-MHJFOBGBSA-N 2 0 345.531 3.497 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001690605999 1404648885 /nfs/dbraw/zinc/64/88/85/1404648885.db2.gz DIXUVWNIKVGHMW-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001690784852 1404732477 /nfs/dbraw/zinc/73/24/77/1404732477.db2.gz NPRFERPHSZXVJN-IEJDHCNXSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814865 1404750009 /nfs/dbraw/zinc/75/00/09/1404750009.db2.gz MSLDTXAAKJZESP-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690824391 1404760280 /nfs/dbraw/zinc/76/02/80/1404760280.db2.gz CJKUKVYDEYIVQP-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001691085107 1405019274 /nfs/dbraw/zinc/01/92/74/1405019274.db2.gz BGQIKYBLLOUJRR-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691447259 1405274764 /nfs/dbraw/zinc/27/47/64/1405274764.db2.gz VSFYPASJIGLKIX-XSYGEPLQSA-N 2 0 345.531 3.127 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001692150850 1405804240 /nfs/dbraw/zinc/80/42/40/1405804240.db2.gz FGADGBMGEUKWPH-YZGWKJHDSA-N 2 0 345.531 3.223 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001698562646 1406162568 /nfs/dbraw/zinc/16/25/68/1406162568.db2.gz KQWJHJVOPIJSBZ-YLJYHZDGSA-N 2 0 343.515 3.073 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001698562639 1406162832 /nfs/dbraw/zinc/16/28/32/1406162832.db2.gz KQWJHJVOPIJSBZ-FXAWDEMLSA-N 2 0 343.515 3.073 20 0 EGADRP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]C[C@@H](C)CC(C)C ZINC001698604482 1406231171 /nfs/dbraw/zinc/23/11/71/1406231171.db2.gz OQWGYWXHOJMSLM-RDJZCZTQSA-N 2 0 344.503 3.423 20 0 EGADRP C[N@H+](CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1)C1CCCCC1 ZINC001732029729 1428247692 /nfs/dbraw/zinc/24/76/92/1428247692.db2.gz KNEHIZHKWKBQDL-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1)[NH+]1CCCCCC1 ZINC001732312065 1428524498 /nfs/dbraw/zinc/52/44/98/1428524498.db2.gz NPINEKFKPPULDE-LTFYMZFKSA-N 2 0 341.927 3.020 20 0 EGADRP CC1(NC(=O)CCC[NH+]2CCCC2)CC[NH+](CCCC2CCC2)CC1 ZINC001699774240 1413183132 /nfs/dbraw/zinc/18/31/32/1413183132.db2.gz ITFGXNMZTNDYDR-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001700141372 1413562699 /nfs/dbraw/zinc/56/26/99/1413562699.db2.gz ITGCSAZAESWEGC-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001700185353 1413604583 /nfs/dbraw/zinc/60/45/83/1413604583.db2.gz ZSYMRDVKPXTJBQ-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP C[NH+](C)CCCC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCCC1)C2 ZINC001700252342 1413697974 /nfs/dbraw/zinc/69/79/74/1413697974.db2.gz HGSNKQUBYOONCD-UHFFFAOYSA-N 2 0 343.515 3.150 20 0 EGADRP Cc1ccc(C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001700473898 1414095970 /nfs/dbraw/zinc/09/59/70/1414095970.db2.gz JPWBIWCCFZQHNP-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700488435 1414137858 /nfs/dbraw/zinc/13/78/58/1414137858.db2.gz YLLWGVITKMDQBI-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700544994 1414213270 /nfs/dbraw/zinc/21/32/70/1414213270.db2.gz DPJJZHGRNNCBJM-IRXDYDNUSA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)c1ccccc1C[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001700546289 1414214827 /nfs/dbraw/zinc/21/48/27/1414214827.db2.gz UFYSQSJCDFNRGC-KRWDZBQOSA-N 2 0 345.531 3.088 20 0 EGADRP CCc1cccc(C[NH+]2CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]2C)c1 ZINC001700885934 1414544328 /nfs/dbraw/zinc/54/43/28/1414544328.db2.gz AIDZQEAMWIPTLD-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001732975861 1429102616 /nfs/dbraw/zinc/10/26/16/1429102616.db2.gz ANTSSFPKAJGHSW-XLIONFOSSA-N 2 0 345.531 3.352 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001707090147 1417196638 /nfs/dbraw/zinc/19/66/38/1417196638.db2.gz WRBMNDDFPXKUCP-IYARVYRRSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713062605 1417619823 /nfs/dbraw/zinc/61/98/23/1417619823.db2.gz GCHYHKGAGCYCHZ-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[N@H+](C)CCC3CCCC3)C2)CC1 ZINC001713134706 1417713855 /nfs/dbraw/zinc/71/38/55/1417713855.db2.gz SLXHTCRPYOGYQD-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1)C1CCC1 ZINC001713252510 1417845380 /nfs/dbraw/zinc/84/53/80/1417845380.db2.gz ARPQVDNHSYSQHA-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001713339488 1417963045 /nfs/dbraw/zinc/96/30/45/1417963045.db2.gz JXBMEDARSHAREZ-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713377571 1417987806 /nfs/dbraw/zinc/98/78/06/1417987806.db2.gz SKYYQVFBUPJDKT-MOPGFXCFSA-N 2 0 349.563 3.458 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001713381775 1417992224 /nfs/dbraw/zinc/99/22/24/1417992224.db2.gz MIUCVRVHXCAOAY-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1cccc(C)c1 ZINC001713493861 1418196445 /nfs/dbraw/zinc/19/64/45/1418196445.db2.gz SYQKOWURLYLNFW-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](Cc1csc(C)c1)C1CC1 ZINC001713558013 1418352673 /nfs/dbraw/zinc/35/26/73/1418352673.db2.gz VJDGRRZLNQJISG-GOSISDBHSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713897197 1418695764 /nfs/dbraw/zinc/69/57/64/1418695764.db2.gz HWUGMLKMPRPSDX-OALUTQOASA-N 2 0 345.531 3.260 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001713986949 1418765011 /nfs/dbraw/zinc/76/50/11/1418765011.db2.gz UCWADYNNUHNOGS-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCCCC2)CCC1 ZINC001714107290 1418907142 /nfs/dbraw/zinc/90/71/42/1418907142.db2.gz GTYLSHVDOMHLCT-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC001714313812 1419094685 /nfs/dbraw/zinc/09/46/85/1419094685.db2.gz TZTFBPUYKPHYPG-BHIYHBOVSA-N 2 0 331.504 3.106 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCCC(C)(C)C)C2)CC1 ZINC001714362994 1419123950 /nfs/dbraw/zinc/12/39/50/1419123950.db2.gz LFPRIODRAILZRY-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001714454767 1419187151 /nfs/dbraw/zinc/18/71/51/1419187151.db2.gz UYUYWBXRYCPEOZ-IRXDYDNUSA-N 2 0 349.494 3.105 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC001714491319 1419214741 /nfs/dbraw/zinc/21/47/41/1419214741.db2.gz YRIUFBIDKDVCFS-GOSISDBHSA-N 2 0 345.531 3.020 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H](C)c1cccc(F)c1 ZINC001714583432 1419323418 /nfs/dbraw/zinc/32/34/18/1419323418.db2.gz HPGXGYBBCBTHEY-APWZRJJASA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](CC)c1ccc(F)cc1 ZINC001714645395 1419419779 /nfs/dbraw/zinc/41/97/79/1419419779.db2.gz NMWIXRHXCIKKCW-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1)[NH+](CC)CC ZINC001714977681 1419712166 /nfs/dbraw/zinc/71/21/66/1419712166.db2.gz XGGGLODZSOJKCM-PXNSSMCTSA-N 2 0 345.531 3.224 20 0 EGADRP CCc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2)c1 ZINC001715001762 1419732418 /nfs/dbraw/zinc/73/24/18/1419732418.db2.gz OOMXUIXNTNTYTF-VQTJNVASSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001715021180 1419752401 /nfs/dbraw/zinc/75/24/01/1419752401.db2.gz ATUBBHMMAYKIBH-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1 ZINC001715191536 1419923484 /nfs/dbraw/zinc/92/34/84/1419923484.db2.gz SGXWBAWRPBOJLU-JXQKNWOYSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001715230244 1419962767 /nfs/dbraw/zinc/96/27/67/1419962767.db2.gz QXNRODJDYDYKKL-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001715497435 1420179016 /nfs/dbraw/zinc/17/90/16/1420179016.db2.gz HHESUYKLOMVFMD-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Cc1[nH]cnc1C ZINC001715775860 1420339167 /nfs/dbraw/zinc/33/91/67/1420339167.db2.gz YUJZOBWTQXOKPO-ZDUSSCGKSA-N 2 0 348.878 3.113 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001715949016 1420416212 /nfs/dbraw/zinc/41/62/12/1420416212.db2.gz KXFXHIUJXAGVGU-MDZRGWNJSA-N 2 0 333.520 3.306 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001716502226 1420729663 /nfs/dbraw/zinc/72/96/63/1420729663.db2.gz NUYYDTHBBMRGPW-ZWKOTPCHSA-N 2 0 345.531 3.305 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001733275378 1429438243 /nfs/dbraw/zinc/43/82/43/1429438243.db2.gz HNNYAAVHBKBWIJ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001716708521 1420862112 /nfs/dbraw/zinc/86/21/12/1420862112.db2.gz IVAGFVILDKFZIY-IPQPSQTFSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001716790906 1420924764 /nfs/dbraw/zinc/92/47/64/1420924764.db2.gz QXYWDXQBMIJXOJ-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC2)c1 ZINC001717157271 1421146973 /nfs/dbraw/zinc/14/69/73/1421146973.db2.gz JAJOMTUBXJNQOD-UHFFFAOYSA-N 2 0 345.531 3.101 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)CC1(C)C ZINC001717311719 1421255882 /nfs/dbraw/zinc/25/58/82/1421255882.db2.gz GJUPJXIEFSWUOO-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717459551 1421389044 /nfs/dbraw/zinc/38/90/44/1421389044.db2.gz GNAMGTPSORTBKA-ZWKOTPCHSA-N 2 0 345.531 3.082 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H]1CCCc2ccccc21 ZINC001717494616 1421434763 /nfs/dbraw/zinc/43/47/63/1421434763.db2.gz KRYYDFXAPNZAMP-PXNSSMCTSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717751402 1421614558 /nfs/dbraw/zinc/61/45/58/1421614558.db2.gz VSOWZMOAPDBZOZ-FXAWDEMLSA-N 2 0 347.547 3.333 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)[C@H]1C ZINC001717859990 1421672531 /nfs/dbraw/zinc/67/25/31/1421672531.db2.gz HGRYWVBISKFIPO-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001733351851 1429532852 /nfs/dbraw/zinc/53/28/52/1429532852.db2.gz IIWDVTZZTGEGJX-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CC2)CCCCC1 ZINC001722941860 1424268830 /nfs/dbraw/zinc/26/88/30/1424268830.db2.gz BPDSKDKZPSPQTE-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP CC1(C)CCC(C[NH2+]C2(CNC(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001723595408 1424481737 /nfs/dbraw/zinc/48/17/37/1424481737.db2.gz PTIJDNLYKLEJAS-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1 ZINC001724219927 1424739497 /nfs/dbraw/zinc/73/94/97/1424739497.db2.gz WPTQPDUJXOJEEN-IBGZPJMESA-N 2 0 349.544 3.052 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001724293826 1424777459 /nfs/dbraw/zinc/77/74/59/1424777459.db2.gz FPBYNZXCOGKGBT-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001724859293 1425239700 /nfs/dbraw/zinc/23/97/00/1425239700.db2.gz CIJKBWOLTIOXID-ICSRJNTNSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001724859505 1425241576 /nfs/dbraw/zinc/24/15/76/1425241576.db2.gz AYCXTHHEJYNDCI-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001725028385 1425449152 /nfs/dbraw/zinc/44/91/52/1425449152.db2.gz ZHRXGGNYOBUNOS-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001725138018 1425614188 /nfs/dbraw/zinc/61/41/88/1425614188.db2.gz VPLJADVTVAEHPG-ABHNRTSZSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001725267409 1425901577 /nfs/dbraw/zinc/90/15/77/1425901577.db2.gz QVFGLCQJZKEKLV-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001725422876 1426075155 /nfs/dbraw/zinc/07/51/55/1426075155.db2.gz MQODIKUTCYHFAS-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001725656827 1426339154 /nfs/dbraw/zinc/33/91/54/1426339154.db2.gz MFWDLPLVVKGWTJ-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC1 ZINC001725656824 1426339201 /nfs/dbraw/zinc/33/92/01/1426339201.db2.gz MFWDLPLVVKGWTJ-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@H]1C ZINC001725691596 1426374780 /nfs/dbraw/zinc/37/47/80/1426374780.db2.gz XCVUYFRKUNKQSD-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H](C[NH2+]CC2CCC2)C(C)(C)C)c1 ZINC001725758756 1426438326 /nfs/dbraw/zinc/43/83/26/1426438326.db2.gz SSRHQDAQSDGRKV-LJQANCHMSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001731696324 1427746074 /nfs/dbraw/zinc/74/60/74/1427746074.db2.gz WWYSORHAQFMAAG-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001731783390 1427909072 /nfs/dbraw/zinc/90/90/72/1427909072.db2.gz DBRRMLPEQKYXQW-KRWDZBQOSA-N 2 0 347.547 3.435 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001731785139 1427915079 /nfs/dbraw/zinc/91/50/79/1427915079.db2.gz DBFYSCBEPYBVST-LJQANCHMSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001731811948 1427995368 /nfs/dbraw/zinc/99/53/68/1427995368.db2.gz ZFJVHPOASPFLCD-QFBILLFUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001731812092 1427995980 /nfs/dbraw/zinc/99/59/80/1427995980.db2.gz BDGTUYFVEDERQU-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001733781672 1430047036 /nfs/dbraw/zinc/04/70/36/1430047036.db2.gz OXQDOANBVZUHTA-UHFFFAOYSA-N 2 0 345.531 3.151 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001733782850 1430049806 /nfs/dbraw/zinc/04/98/06/1430049806.db2.gz PYJVWEDHBBEIRT-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001733782851 1430050183 /nfs/dbraw/zinc/05/01/83/1430050183.db2.gz PYJVWEDHBBEIRT-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001734025409 1437813260 /nfs/dbraw/zinc/81/32/60/1437813260.db2.gz PGCDBOXRLDWRGH-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001734351875 1438069551 /nfs/dbraw/zinc/06/95/51/1438069551.db2.gz IBTHECMUAXQGMU-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001734357655 1438074445 /nfs/dbraw/zinc/07/44/45/1438074445.db2.gz SMTCETDLCUXGAD-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CCCCCC2)C[C@H]1C ZINC001734430547 1438094645 /nfs/dbraw/zinc/09/46/45/1438094645.db2.gz WKFJXACQGPTCDD-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752008421 1440132175 /nfs/dbraw/zinc/13/21/75/1440132175.db2.gz GJVXZHQWYJOKOK-RBUKOAKNSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1c(C(=O)NCCC[N@@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001752009087 1440132430 /nfs/dbraw/zinc/13/24/30/1440132430.db2.gz PFUPRIFIYJTPQR-INIZCTEOSA-N 2 0 344.503 3.377 20 0 EGADRP C[C@H](C(=O)NCCC[N@H+](C)CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001752072511 1440138144 /nfs/dbraw/zinc/13/81/44/1440138144.db2.gz CYQQMFPBPAOFOW-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCCC(C)(C)C ZINC001752077396 1440138682 /nfs/dbraw/zinc/13/86/82/1440138682.db2.gz XELDKDBESOQKNG-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001752147612 1440146472 /nfs/dbraw/zinc/14/64/72/1440146472.db2.gz VPIAJHMUDKFTAI-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001752158336 1440147905 /nfs/dbraw/zinc/14/79/05/1440147905.db2.gz MWTOCZZHOAAATD-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP C[N@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001752525360 1440192749 /nfs/dbraw/zinc/19/27/49/1440192749.db2.gz MCRSURJTWQWWGW-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752525737 1440192844 /nfs/dbraw/zinc/19/28/44/1440192844.db2.gz NVVGJJQRBOFIPU-LJQANCHMSA-N 2 0 345.531 3.332 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]C[C@H](C)CC(C)C)C2)ccc2c[nH+]cn21 ZINC001752579587 1440195735 /nfs/dbraw/zinc/19/57/35/1440195735.db2.gz FMFWVRGFRDRLPM-WBVHZDCISA-N 2 0 342.487 3.129 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001752707839 1440203110 /nfs/dbraw/zinc/20/31/10/1440203110.db2.gz QDYSPUYJDSZJRR-WOJBJXKFSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCC3)CC[C@H]21 ZINC001752709154 1440203285 /nfs/dbraw/zinc/20/32/85/1440203285.db2.gz ZDECMHWDZDLTIZ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001752806840 1440215894 /nfs/dbraw/zinc/21/58/94/1440215894.db2.gz TWPACTRVQZDHOV-IBGZPJMESA-N 2 0 347.547 3.047 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cc(C)ccc1C ZINC001752824066 1440222434 /nfs/dbraw/zinc/22/24/34/1440222434.db2.gz OWRJZNQCFHPAOZ-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC(CC)C[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001752850780 1440233562 /nfs/dbraw/zinc/23/35/62/1440233562.db2.gz MCRRLCVHRQVILQ-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@H+](CCC(=O)NC1CCC([NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001752851283 1440233671 /nfs/dbraw/zinc/23/36/71/1440233671.db2.gz HYJDGLARQYTAFM-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC/C=C\c1ccccc1 ZINC001752891573 1440241042 /nfs/dbraw/zinc/24/10/42/1440241042.db2.gz NABSUVCGILPQTB-MEVIEEELSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001752902393 1440243277 /nfs/dbraw/zinc/24/32/77/1440243277.db2.gz ALGNWUXVEKUAFJ-ICSRJNTNSA-N 2 0 345.531 3.161 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752974793 1440255795 /nfs/dbraw/zinc/25/57/95/1440255795.db2.gz XHKBFHHQFPRYHA-ROUUACIJSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001752977480 1440256464 /nfs/dbraw/zinc/25/64/64/1440256464.db2.gz VQJOJABJPGRQQU-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C)c(C[NH+](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001753000688 1440264276 /nfs/dbraw/zinc/26/42/76/1440264276.db2.gz UOULYWSAOVFTGA-FQEVSTJZSA-N 2 0 345.531 3.066 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001753020180 1440269679 /nfs/dbraw/zinc/26/96/79/1440269679.db2.gz FDXHLKLRPLWMGR-CABCVRRESA-N 2 0 339.911 3.226 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCC2CCCCCC2)C1 ZINC001753111325 1440308632 /nfs/dbraw/zinc/30/86/32/1440308632.db2.gz GKWOCSRTTUEYTC-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1 ZINC001753159625 1440333037 /nfs/dbraw/zinc/33/30/37/1440333037.db2.gz VSDSGSMGLJHMKC-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001753274696 1440346056 /nfs/dbraw/zinc/34/60/56/1440346056.db2.gz SEKRTWNKXIGRJI-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001753276886 1440346506 /nfs/dbraw/zinc/34/65/06/1440346506.db2.gz BKVDAFWXEVVQQI-KRWDZBQOSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001753281319 1440347533 /nfs/dbraw/zinc/34/75/33/1440347533.db2.gz XZYRAINSLWLFRG-KAGICYHLSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001753287102 1440349229 /nfs/dbraw/zinc/34/92/29/1440349229.db2.gz OYGNOMVIFDYQAT-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001753294275 1440351530 /nfs/dbraw/zinc/35/15/30/1440351530.db2.gz JGZUOCQNIFIDQW-FXAWDEMLSA-N 2 0 345.531 3.307 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753319294 1440361788 /nfs/dbraw/zinc/36/17/88/1440361788.db2.gz CFBJNYFONSDZGW-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001753328774 1440367995 /nfs/dbraw/zinc/36/79/95/1440367995.db2.gz ZWQOZUHOADSJEF-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001753358162 1440381151 /nfs/dbraw/zinc/38/11/51/1440381151.db2.gz KKOCJQOKJVQETN-AZUAARDMSA-N 2 0 345.531 3.260 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368907 1440386729 /nfs/dbraw/zinc/38/67/29/1440386729.db2.gz WOCKXFZPJOBODU-GBESFXJTSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753368916 1440386758 /nfs/dbraw/zinc/38/67/58/1440386758.db2.gz GXAUFWBJNYIZTB-WSTZPKSXSA-N 2 0 345.531 3.223 20 0 EGADRP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753439588 1440401314 /nfs/dbraw/zinc/40/13/14/1440401314.db2.gz OWWANCMBXDDYSP-RBUKOAKNSA-N 2 0 335.536 3.116 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001753460226 1440410325 /nfs/dbraw/zinc/41/03/25/1440410325.db2.gz ZKNRQLJEUGAFBD-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCc1ccccc1C[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753480696 1440416503 /nfs/dbraw/zinc/41/65/03/1440416503.db2.gz AQNJPDZYQVKOPL-LJQANCHMSA-N 2 0 345.531 3.108 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001753486957 1440418170 /nfs/dbraw/zinc/41/81/70/1440418170.db2.gz DFVWKRSTHMYMHC-DNVCBOLYSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CC2CCC(C)CC2)CCCC1 ZINC001753510708 1440425796 /nfs/dbraw/zinc/42/57/96/1440425796.db2.gz RRKOWJYCKUNTBR-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001753518972 1440427981 /nfs/dbraw/zinc/42/79/81/1440427981.db2.gz UKMPOAWGMZLAGF-CTNGQTDRSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH2+]CCC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001753570485 1440438301 /nfs/dbraw/zinc/43/83/01/1440438301.db2.gz YGNIDAFXWQXEJG-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001753585196 1440441135 /nfs/dbraw/zinc/44/11/35/1440441135.db2.gz XFSGOJYPPNPCAO-CXLTZZKYSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)c(C)c1C ZINC001753710832 1440470641 /nfs/dbraw/zinc/47/06/41/1440470641.db2.gz IUIKXCQIJMCCLR-CQSZACIVSA-N 2 0 347.547 3.117 20 0 EGADRP C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753730095 1440475587 /nfs/dbraw/zinc/47/55/87/1440475587.db2.gz VAEGSTQBOBVENT-IAGOWNOFSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753739029 1440478614 /nfs/dbraw/zinc/47/86/14/1440478614.db2.gz VDCVNOYZAHLGIW-YSIASYRMSA-N 2 0 345.531 3.037 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1 ZINC001753777775 1440486761 /nfs/dbraw/zinc/48/67/61/1440486761.db2.gz VMMKOJNZEVAHDN-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC001753784659 1440487810 /nfs/dbraw/zinc/48/78/10/1440487810.db2.gz QFZOIKWMOPKUAL-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753796444 1440489872 /nfs/dbraw/zinc/48/98/72/1440489872.db2.gz KPXYBGROUXNREW-NYQZOWANSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001753798554 1440490392 /nfs/dbraw/zinc/49/03/92/1440490392.db2.gz XWVTZUMIKCJQMC-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1cccc(C)c1 ZINC001753854193 1440508224 /nfs/dbraw/zinc/50/82/24/1440508224.db2.gz AJRUQJWPHKNJKY-AZUAARDMSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(CC)c1 ZINC001753854623 1440508385 /nfs/dbraw/zinc/50/83/85/1440508385.db2.gz QPCWWKHQGZZNFR-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753874730 1440518570 /nfs/dbraw/zinc/51/85/70/1440518570.db2.gz BHTKCKDBDAPQOM-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754044994 1440535017 /nfs/dbraw/zinc/53/50/17/1440535017.db2.gz AFPSNBRUCACPNA-VQIMIIECSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC001754122269 1440542847 /nfs/dbraw/zinc/54/28/47/1440542847.db2.gz ZBUKRMXKGRMJTR-YBHDSAFLSA-N 2 0 349.906 3.003 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754314191 1440574582 /nfs/dbraw/zinc/57/45/82/1440574582.db2.gz MMISXTKZDHDIKV-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001754324036 1440579611 /nfs/dbraw/zinc/57/96/11/1440579611.db2.gz XRQIPKHTDOTVDM-KXBFYZLASA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1cc2ccccc2s1)NC(=O)CCC[NH+](C)C ZINC001754324273 1440579810 /nfs/dbraw/zinc/57/98/10/1440579810.db2.gz RFSMZZFFPQFKDP-HNNXBMFYSA-N 2 0 347.528 3.180 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754329351 1440582727 /nfs/dbraw/zinc/58/27/27/1440582727.db2.gz ZWHNEUPRWQHGQL-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC=C(C)C)c1ccccc1 ZINC001754330399 1440583378 /nfs/dbraw/zinc/58/33/78/1440583378.db2.gz KWTPOKJIHKTRCU-PKOBYXMFSA-N 2 0 331.504 3.082 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCCCCC1 ZINC001754335997 1440586437 /nfs/dbraw/zinc/58/64/37/1440586437.db2.gz JLBHXCREYFOTBC-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001754470913 1440605500 /nfs/dbraw/zinc/60/55/00/1440605500.db2.gz SIZWXIDXIIWZHE-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754537897 1440625164 /nfs/dbraw/zinc/62/51/64/1440625164.db2.gz FYOFDGFCKKIGAC-YJJPMGAVSA-N 2 0 349.563 3.243 20 0 EGADRP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001754539237 1440625620 /nfs/dbraw/zinc/62/56/20/1440625620.db2.gz BKIVBPQLZJMNBF-OLPBJYBYSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001754557626 1440632354 /nfs/dbraw/zinc/63/23/54/1440632354.db2.gz LENKGOPYBOSDKS-HXUWFJFHSA-N 2 0 337.552 3.223 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)C1 ZINC001754628970 1440647203 /nfs/dbraw/zinc/64/72/03/1440647203.db2.gz MJXDDJNTZGVRCW-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CCCC1)C1CCC1 ZINC001754650595 1440651712 /nfs/dbraw/zinc/65/17/12/1440651712.db2.gz QFBICDJFVCOQOB-IBGZPJMESA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C/CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001754679400 1440661363 /nfs/dbraw/zinc/66/13/63/1440661363.db2.gz QTVGNRCWEDGORC-GGVAOPBYSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001754727847 1440677311 /nfs/dbraw/zinc/67/73/11/1440677311.db2.gz OOFQMDAJZZOCEL-FZUCFXCGSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CCC3CCCC3)C2)CCC1 ZINC001754727922 1440677515 /nfs/dbraw/zinc/67/75/15/1440677515.db2.gz PXMAXHVWSYIDLD-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCC1)C2 ZINC001754783273 1440686944 /nfs/dbraw/zinc/68/69/44/1440686944.db2.gz NJJQVDMCTDIZEX-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001754824214 1440693316 /nfs/dbraw/zinc/69/33/16/1440693316.db2.gz NZERLNCHCFSRPG-FXAWDEMLSA-N 2 0 345.531 3.236 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754919721 1440709204 /nfs/dbraw/zinc/70/92/04/1440709204.db2.gz VZISHMNREJWGKC-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001754951195 1440715012 /nfs/dbraw/zinc/71/50/12/1440715012.db2.gz LQKWQXPIHIBRCS-VQIMIIECSA-N 2 0 331.504 3.095 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001754957144 1440716712 /nfs/dbraw/zinc/71/67/12/1440716712.db2.gz OKXSBYZBTWFFLW-KESTWPANSA-N 2 0 349.563 3.338 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001755024561 1440728068 /nfs/dbraw/zinc/72/80/68/1440728068.db2.gz CRYPFVPQHZDYKP-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001755045226 1440740374 /nfs/dbraw/zinc/74/03/74/1440740374.db2.gz NJMKCHJJGVQDMW-LJQANCHMSA-N 2 0 349.494 3.153 20 0 EGADRP CC(C)CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001755046000 1440741009 /nfs/dbraw/zinc/74/10/09/1440741009.db2.gz QEWROTQUOJLPDI-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755130590 1440757025 /nfs/dbraw/zinc/75/70/25/1440757025.db2.gz LDDFXWVXBOXKSD-SFHVURJKSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755130972 1440757156 /nfs/dbraw/zinc/75/71/56/1440757156.db2.gz YGUIYYAVCMEBQT-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755135792 1440758249 /nfs/dbraw/zinc/75/82/49/1440758249.db2.gz DIDSWVDGGQMPAR-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC1(C)C)C1CCC1 ZINC001755137707 1440759095 /nfs/dbraw/zinc/75/90/95/1440759095.db2.gz CMPRBOPXDGPWMH-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC2(C)C)CCCCC1 ZINC001755141546 1440760647 /nfs/dbraw/zinc/76/06/47/1440760647.db2.gz NEIWQPZBFQGZIO-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC2CCC2)CC1(C)C ZINC001755144271 1440762634 /nfs/dbraw/zinc/76/26/34/1440762634.db2.gz YZCKKMRTRXDMKR-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755193611 1440775704 /nfs/dbraw/zinc/77/57/04/1440775704.db2.gz CLBZONZAIXVUHT-UEKDZROGSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208791 1440782614 /nfs/dbraw/zinc/78/26/14/1440782614.db2.gz AZPNFAULMLHEJR-APWZRJJASA-N 2 0 349.494 3.033 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001755209098 1440782656 /nfs/dbraw/zinc/78/26/56/1440782656.db2.gz IJPIVBCDHGXMJT-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208840 1440782831 /nfs/dbraw/zinc/78/28/31/1440782831.db2.gz BWXFRKBBOBBMFY-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001755212215 1440783472 /nfs/dbraw/zinc/78/34/72/1440783472.db2.gz JUGLJTIKLLQZDU-SOAGJPPSSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001755271643 1440797883 /nfs/dbraw/zinc/79/78/83/1440797883.db2.gz VDHWLNMSZUEMEL-OALUTQOASA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccc(C[NH2+]C2CCC(N(C)C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001755275253 1440798728 /nfs/dbraw/zinc/79/87/28/1440798728.db2.gz SAMRTYLPQGGBAT-UHFFFAOYSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(F)cc1 ZINC001755319875 1440817995 /nfs/dbraw/zinc/81/79/95/1440817995.db2.gz LCPZYHBLACSUNF-QFBILLFUSA-N 2 0 349.494 3.025 20 0 EGADRP CC(C)=CC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001755354702 1440829001 /nfs/dbraw/zinc/82/90/01/1440829001.db2.gz PUOGLZQOOTVOLJ-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755366905 1440835140 /nfs/dbraw/zinc/83/51/40/1440835140.db2.gz AFTLXRAYOGKREW-NYQZOWANSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001755367718 1440835768 /nfs/dbraw/zinc/83/57/68/1440835768.db2.gz JCFKOMVXDNKGMB-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC2CCCC2)CC1(C)C)[NH+]1CCCC1 ZINC001755415939 1440848996 /nfs/dbraw/zinc/84/89/96/1440848996.db2.gz NWNONXJBXSNNQR-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCC2CCCC2)CC1(C)C ZINC001755416771 1440849289 /nfs/dbraw/zinc/84/92/89/1440849289.db2.gz WJRGUBFEROAVBB-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001755452513 1440854110 /nfs/dbraw/zinc/85/41/10/1440854110.db2.gz JRTQMIWYELMUEW-FHWLQOOXSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001755472586 1440859089 /nfs/dbraw/zinc/85/90/89/1440859089.db2.gz AFIHVRVORXLWJM-KZNAEPCWSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001755476952 1440859499 /nfs/dbraw/zinc/85/94/99/1440859499.db2.gz COTLOELTCLOIQX-BZSNNMDCSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001755478859 1440859768 /nfs/dbraw/zinc/85/97/68/1440859768.db2.gz RURFNVXAMOHGGE-IYARVYRRSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755531837 1440867775 /nfs/dbraw/zinc/86/77/75/1440867775.db2.gz CLRPGTQNZAADFL-PKOBYXMFSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001755534314 1440868667 /nfs/dbraw/zinc/86/86/67/1440868667.db2.gz JGDNGLABQBDYSM-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001755607188 1440886012 /nfs/dbraw/zinc/88/60/12/1440886012.db2.gz QIIALESHGBNRDN-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001755746028 1440912561 /nfs/dbraw/zinc/91/25/61/1440912561.db2.gz KQGFABDHPHZKFF-IEBWSBKVSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2ccccc2C)C(C)(C)C1 ZINC001755765103 1440915898 /nfs/dbraw/zinc/91/58/98/1440915898.db2.gz INZXNLUBLJQWCM-MJGOQNOKSA-N 2 0 345.531 3.224 20 0 EGADRP CCCCCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001755766296 1440916304 /nfs/dbraw/zinc/91/63/04/1440916304.db2.gz HRDODYNGDHXEIS-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001755827663 1440927701 /nfs/dbraw/zinc/92/77/01/1440927701.db2.gz QNQFZRAKOCIIDS-MSOLQXFVSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001755827664 1440927707 /nfs/dbraw/zinc/92/77/07/1440927707.db2.gz QNQFZRAKOCIIDS-QZTJIDSGSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755830133 1440928439 /nfs/dbraw/zinc/92/84/39/1440928439.db2.gz KKWFZQDEFQWCOT-GOSISDBHSA-N 2 0 345.531 3.182 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C ZINC001755840340 1440931414 /nfs/dbraw/zinc/93/14/14/1440931414.db2.gz XFTFEEOPGFDGAD-INIZCTEOSA-N 2 0 327.557 3.273 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001755848396 1440934094 /nfs/dbraw/zinc/93/40/94/1440934094.db2.gz SUOLZQUPSZZPJR-ADKAHSJRSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001755858716 1440936194 /nfs/dbraw/zinc/93/61/94/1440936194.db2.gz ORGPEDSPGCAIKU-SBDAGSLNSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)=CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001755859451 1440936335 /nfs/dbraw/zinc/93/63/35/1440936335.db2.gz UDEFNVKOLFRZFP-UHFFFAOYSA-N 2 0 335.536 3.044 20 0 EGADRP CN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC([NH2+]CC2CCC2)C1 ZINC001755859377 1440936351 /nfs/dbraw/zinc/93/63/51/1440936351.db2.gz PQXMSGLBHPOJCV-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001755862600 1440937012 /nfs/dbraw/zinc/93/70/12/1440937012.db2.gz QSALEZONNLAEIW-SOAGJPPSSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc3[nH]ccc3c[nH+]1)[C@@H]2C ZINC001164862535 720931776 /nfs/dbraw/zinc/93/17/76/720931776.db2.gz WFZCRXGVSPRNNC-CQSZACIVSA-N 2 0 338.459 3.181 20 0 EGADRP Cn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(-c2cc3ccccc3o2)n1 ZINC000368404096 168352192 /nfs/dbraw/zinc/35/21/92/168352192.db2.gz UIUOPVVGERTIHR-UHFFFAOYSA-N 2 0 336.439 3.185 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368532421 168368558 /nfs/dbraw/zinc/36/85/58/168368558.db2.gz YQMRQKGGKAWUAM-NQIIRXRSSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[NH+]1CCC(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000368531598 168368842 /nfs/dbraw/zinc/36/88/42/168368842.db2.gz WBOGDAFZZORVLV-NRFANRHFSA-N 3 0 329.532 3.363 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000177828099 529707237 /nfs/dbraw/zinc/70/72/37/529707237.db2.gz PVWUXJBFLUKMNN-OAHLLOKOSA-N 2 0 344.528 3.308 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cnn1C ZINC000177959411 232041754 /nfs/dbraw/zinc/04/17/54/232041754.db2.gz JWZBLQMWSSLWJM-HUUCEWRRSA-N 2 0 330.476 3.081 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CC(C)(C)Cc4occc43)C2)CC1 ZINC000363783892 282700779 /nfs/dbraw/zinc/70/07/79/282700779.db2.gz LVRSLAVNTGSRAZ-QAPCUYQASA-N 2 0 331.504 3.051 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000246896062 283064727 /nfs/dbraw/zinc/06/47/27/283064727.db2.gz JVJMGJFZOORKTL-QUCCMNQESA-N 2 0 345.531 3.260 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000184242030 291070490 /nfs/dbraw/zinc/07/04/90/291070490.db2.gz FEJVLALRGLGQCE-PKOBYXMFSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000185866955 235770914 /nfs/dbraw/zinc/77/09/14/235770914.db2.gz QJXJRFKPBNAPCV-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415013453 309114177 /nfs/dbraw/zinc/11/41/77/309114177.db2.gz KXLIFJHCOKOLGX-KBPBESRZSA-N 2 0 325.884 3.473 20 0 EGADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000130661996 223167499 /nfs/dbraw/zinc/16/74/99/223167499.db2.gz CIHHBCGUJFOHQJ-UWJYYQICSA-N 2 0 342.483 3.320 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072859337 216317918 /nfs/dbraw/zinc/31/79/18/216317918.db2.gz UFZFBXWFMWAMDI-IBGZPJMESA-N 2 0 326.488 3.263 20 0 EGADRP C[NH+](C)CC(C)(C)CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000132130589 223303661 /nfs/dbraw/zinc/30/36/61/223303661.db2.gz JKSLGELLQGWMMT-UHFFFAOYSA-N 2 0 335.511 3.010 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2occc21 ZINC000193277396 240087699 /nfs/dbraw/zinc/08/76/99/240087699.db2.gz CQQONOPKKLVPIX-QUCCMNQESA-N 2 0 340.467 3.404 20 0 EGADRP c1cc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc(C[NH+]2CCCC2)c1 ZINC000193957278 240378279 /nfs/dbraw/zinc/37/82/79/240378279.db2.gz ADTNOPQGQXWJLW-HSALFYBXSA-N 2 0 326.484 3.330 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000194197845 240476732 /nfs/dbraw/zinc/47/67/32/240476732.db2.gz AWTVUWPYMRVHMY-SFHVURJKSA-N 2 0 338.499 3.117 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261957915 244742673 /nfs/dbraw/zinc/74/26/73/244742673.db2.gz REJKOOKFPXUYPQ-LJQANCHMSA-N 2 0 341.499 3.043 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(I)cc1 ZINC000049554107 214018708 /nfs/dbraw/zinc/01/87/08/214018708.db2.gz QEAUODWVXYJJKM-NWDGAFQWSA-N 2 0 346.256 3.282 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3COC4(CCCC4)O3)CC2)C1 ZINC000378424380 169118691 /nfs/dbraw/zinc/11/86/91/169118691.db2.gz DDULAFVZEUKFRY-NEWSRXKRSA-N 2 0 336.520 3.305 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2ccccc2)C2CC2)ccn1 ZINC000091408652 218000675 /nfs/dbraw/zinc/00/06/75/218000675.db2.gz JBFNIQAQQOURTA-HXUWFJFHSA-N 2 0 325.456 3.263 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000092738672 218163392 /nfs/dbraw/zinc/16/33/92/218163392.db2.gz ARWUUMYRBTYUEO-WIYYLYMNSA-N 2 0 338.499 3.111 20 0 EGADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccnc1 ZINC000092746383 218164446 /nfs/dbraw/zinc/16/44/46/218164446.db2.gz YPDSJYUYTHBLHM-HOTGVXAUSA-N 2 0 342.462 3.384 20 0 EGADRP COCc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587205 218153130 /nfs/dbraw/zinc/15/31/30/218153130.db2.gz XNMZGIOSZRICIR-ROUUACIJSA-N 2 0 346.515 3.154 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1ccccc1 ZINC000092821451 218171694 /nfs/dbraw/zinc/17/16/94/218171694.db2.gz MULLFIVPFCNTRI-OAQYLSRUSA-N 2 0 339.483 3.354 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1Br ZINC000094010066 218260776 /nfs/dbraw/zinc/26/07/76/218260776.db2.gz DCAGNZCKGUDRDF-LLVKDONJSA-N 2 0 327.266 3.108 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC[NH+](C)C2CC2)cc1)C(C)C ZINC000186763304 285096929 /nfs/dbraw/zinc/09/69/29/285096929.db2.gz MBLAAVNYRIZBKK-UHFFFAOYSA-N 2 0 331.504 3.083 20 0 EGADRP C[C@H](CCSc1ccccc1)N1CCC([N@H+](C)CCCO)CC1 ZINC000153504064 224114222 /nfs/dbraw/zinc/11/42/22/224114222.db2.gz NCLOXDAVLGIZIQ-QGZVFWFLSA-N 2 0 336.545 3.336 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1Cl ZINC000112528901 220343517 /nfs/dbraw/zinc/34/35/17/220343517.db2.gz NSXHGBCLFSLHJB-OAHLLOKOSA-N 2 0 344.890 3.338 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1Cl ZINC000112528898 220343836 /nfs/dbraw/zinc/34/38/36/220343836.db2.gz NSXHGBCLFSLHJB-HNNXBMFYSA-N 2 0 344.890 3.338 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000154951578 533113026 /nfs/dbraw/zinc/11/30/26/533113026.db2.gz JGEBSCTUTANVRA-IAGOWNOFSA-N 2 0 341.499 3.135 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000155710060 285336063 /nfs/dbraw/zinc/33/60/63/285336063.db2.gz CUDTXTHXPPVMTB-QUCCMNQESA-N 2 0 345.531 3.133 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000154841110 285376574 /nfs/dbraw/zinc/37/65/74/285376574.db2.gz FGLJMFGZZARGPQ-UIFIKXQLSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000155109798 533499014 /nfs/dbraw/zinc/49/90/14/533499014.db2.gz JVNHGBISYGSVRB-UONOGXRCSA-N 2 0 343.487 3.288 20 0 EGADRP CC1(C)C[C@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C[N@@H+]1Cc1ccccc1 ZINC000677803937 549334055 /nfs/dbraw/zinc/33/40/55/549334055.db2.gz CBJJYZJESZWFME-SLFFLAALSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000237524703 141006636 /nfs/dbraw/zinc/00/66/36/141006636.db2.gz HQIAJQJHHCOOCK-LAUBAEHRSA-N 2 0 343.515 3.209 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000246949654 141045947 /nfs/dbraw/zinc/04/59/47/141045947.db2.gz IHHZIVGMRXUTIC-ZFWWWQNUSA-N 2 0 342.430 3.159 20 0 EGADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc2cccnc12 ZINC000346222582 141184291 /nfs/dbraw/zinc/18/42/91/141184291.db2.gz PELTVBDYYRQTGA-VAMGGRTRSA-N 2 0 339.483 3.227 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000346274420 141190049 /nfs/dbraw/zinc/19/00/49/141190049.db2.gz GJHKWSRAFLHNOT-MOPGFXCFSA-N 2 0 343.515 3.417 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)C[C@@H]1C ZINC000346447442 141196385 /nfs/dbraw/zinc/19/63/85/141196385.db2.gz RBWJBJCJWABNFI-NWDGAFQWSA-N 2 0 332.357 3.005 20 0 EGADRP Cc1nc2ccccn2c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934423 141220723 /nfs/dbraw/zinc/22/07/23/141220723.db2.gz OEPKXXZKDSFHND-RDJZCZTQSA-N 2 0 326.488 3.385 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000353450635 141298858 /nfs/dbraw/zinc/29/88/58/141298858.db2.gz OVMREAANAXOPHZ-VQTJNVASSA-N 2 0 343.515 3.067 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000357945187 141363325 /nfs/dbraw/zinc/36/33/25/141363325.db2.gz NQTLTTPQVKTKDX-INIZCTEOSA-N 2 0 335.467 3.126 20 0 EGADRP Cc1noc(CCC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000357956934 141367838 /nfs/dbraw/zinc/36/78/38/141367838.db2.gz HUBOAEMORARWQS-INIZCTEOSA-N 2 0 334.508 3.287 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@H]12 ZINC000351486811 144268084 /nfs/dbraw/zinc/26/80/84/144268084.db2.gz BFXYNNZJLISJJD-OKZBNKHCSA-N 2 0 332.451 3.170 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375237297 144580655 /nfs/dbraw/zinc/58/06/55/144580655.db2.gz NCAFGSZURRGZLE-KRWDZBQOSA-N 2 0 333.495 3.236 20 0 EGADRP Cc1cc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)ccn1 ZINC000120029195 152245688 /nfs/dbraw/zinc/24/56/88/152245688.db2.gz HKVHFMNXBWMNDD-UHFFFAOYSA-N 2 0 340.471 3.418 20 0 EGADRP COc1cccc(C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C2CC2)c1 ZINC000121049674 152320611 /nfs/dbraw/zinc/32/06/11/152320611.db2.gz NFZDVYHNOWMXCO-HXUWFJFHSA-N 2 0 339.483 3.381 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341598409 155377380 /nfs/dbraw/zinc/37/73/80/155377380.db2.gz FYTDAWVHPMNANA-ZWKOTPCHSA-N 2 0 349.544 3.002 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000192774323 153260287 /nfs/dbraw/zinc/26/02/87/153260287.db2.gz YZDMIWYDAXLQCE-UHFFFAOYSA-N 2 0 347.547 3.020 20 0 EGADRP Cc1ccc(-c2nc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)co2)cc1 ZINC000192801873 153260378 /nfs/dbraw/zinc/26/03/78/153260378.db2.gz NUNKKIHFSKZCMG-YQQQUEKLSA-N 2 0 325.456 3.407 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192918648 153265329 /nfs/dbraw/zinc/26/53/29/153265329.db2.gz ZGPWLWWXTXONBS-LJQANCHMSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000193468224 153293967 /nfs/dbraw/zinc/29/39/67/153293967.db2.gz DTCOFQIJEJJJKI-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000195134759 153382628 /nfs/dbraw/zinc/38/26/28/153382628.db2.gz KDENHHGLPDEEFY-DOIPELPJSA-N 2 0 340.511 3.446 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC[NH3+] ZINC000236863797 153479935 /nfs/dbraw/zinc/47/99/35/153479935.db2.gz BJZUDWACCNIJEQ-UHFFFAOYSA-N 2 0 346.302 3.013 20 0 EGADRP C[C@H]([NH2+]Cc1cnn2ccccc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311045030 154144350 /nfs/dbraw/zinc/14/43/50/154144350.db2.gz FREQQVUJYCCYEJ-HKUYNNGSSA-N 2 0 334.467 3.335 20 0 EGADRP CC(C)N1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]3OC(F)F)sc2C1 ZINC000337289647 154262084 /nfs/dbraw/zinc/26/20/84/154262084.db2.gz LUUBECFRCXOAEM-YPMHNXCESA-N 2 0 345.459 3.160 20 0 EGADRP COc1ccc2oc([C@H](C)[NH2+]CCCN3CC[NH+](C)CC3)c(C)c2c1 ZINC000337310763 154276460 /nfs/dbraw/zinc/27/64/60/154276460.db2.gz BIHLHWRHZPLCMV-INIZCTEOSA-N 2 0 345.487 3.038 20 0 EGADRP C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)SC1CCCCC1 ZINC000337334492 154290227 /nfs/dbraw/zinc/29/02/27/154290227.db2.gz KJMMTPYSDCTABY-UHFFFAOYSA-N 2 0 326.550 3.097 20 0 EGADRP C[C@H](C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000345318422 156053763 /nfs/dbraw/zinc/05/37/63/156053763.db2.gz VVYWWFZSOJFOOS-BEFAXECRSA-N 2 0 335.923 3.407 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346820733 156150897 /nfs/dbraw/zinc/15/08/97/156150897.db2.gz IGXMLMOBTZJNEC-TYPHKJRUSA-N 2 0 338.499 3.026 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccsc1 ZINC000346829830 156154944 /nfs/dbraw/zinc/15/49/44/156154944.db2.gz YCQIYQJCDAMHGF-HOCLYGCPSA-N 2 0 339.549 3.414 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OCC(C)C ZINC000346859402 156167093 /nfs/dbraw/zinc/16/70/93/156167093.db2.gz YKZRFEPANFTNBQ-BZSNNMDCSA-N 2 0 332.488 3.289 20 0 EGADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348906757 156283581 /nfs/dbraw/zinc/28/35/81/156283581.db2.gz VOQUXRGZNZNCFS-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000349153913 156369868 /nfs/dbraw/zinc/36/98/68/156369868.db2.gz TVSWCNJWQUOYRG-IBGZPJMESA-N 2 0 349.482 3.271 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475256 162273714 /nfs/dbraw/zinc/27/37/14/162273714.db2.gz QDRQKNVYKAIGNZ-MDZRGWNJSA-N 3 0 335.561 3.278 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000125645008 162281304 /nfs/dbraw/zinc/28/13/04/162281304.db2.gz VZLXVSANRFIOFG-SBHAEUEKSA-N 2 0 344.547 3.004 20 0 EGADRP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248452006 163006895 /nfs/dbraw/zinc/00/68/95/163006895.db2.gz PQAPJHJRUVXHKT-FZKQIMNGSA-N 2 0 345.512 3.177 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000338817217 163355906 /nfs/dbraw/zinc/35/59/06/163355906.db2.gz UJFSDMFCLAUFHZ-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[C@@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000338946751 163399808 /nfs/dbraw/zinc/39/98/08/163399808.db2.gz ZZGJSDHBIVINMD-LJQANCHMSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000342196600 163811987 /nfs/dbraw/zinc/81/19/87/163811987.db2.gz CYPLAJRBBHMXTL-UHFFFAOYSA-N 2 0 343.515 3.382 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798090 164037089 /nfs/dbraw/zinc/03/70/89/164037089.db2.gz OWMGNBWZVXCPQS-OAHLLOKOSA-N 2 0 338.879 3.417 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000343916832 164064822 /nfs/dbraw/zinc/06/48/22/164064822.db2.gz ALTGMAXXABMVAH-PMACEKPBSA-N 2 0 339.483 3.448 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(C)c1 ZINC000343935739 164069565 /nfs/dbraw/zinc/06/95/65/164069565.db2.gz ORLUJSWHXXBSLB-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(OC)cc1 ZINC000344000074 164079975 /nfs/dbraw/zinc/07/99/75/164079975.db2.gz VWZWTQWOLBXUTE-LJQANCHMSA-N 2 0 343.471 3.272 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCC2 ZINC000344075284 164097139 /nfs/dbraw/zinc/09/71/39/164097139.db2.gz MZPJVGJYUFHLDJ-UXHICEINSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)(C)C1 ZINC000350161036 165014738 /nfs/dbraw/zinc/01/47/38/165014738.db2.gz XPFJPBSXZHPWSC-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000350182956 165016342 /nfs/dbraw/zinc/01/63/42/165016342.db2.gz BHIAVWOHCLOBTG-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP COc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1OC(F)F ZINC000350184138 165017916 /nfs/dbraw/zinc/01/79/16/165017916.db2.gz MLVIYSFUBCWOQP-UHFFFAOYSA-N 2 0 328.403 3.070 20 0 EGADRP CC[C@@H]1C[C@@H](C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350263732 165024342 /nfs/dbraw/zinc/02/43/42/165024342.db2.gz JUUUMNSIOORRJE-AZUAARDMSA-N 2 0 331.504 3.435 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000350919615 165082302 /nfs/dbraw/zinc/08/23/02/165082302.db2.gz OQUXKMGOWSRXGU-IBGZPJMESA-N 2 0 331.504 3.065 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000352045443 165208511 /nfs/dbraw/zinc/20/85/11/165208511.db2.gz PSENBVLHJAZZTN-QLCXLMDBSA-N 2 0 331.504 3.055 20 0 EGADRP CSC1(C[NH2+][C@@H]2CSCCc3ccccc32)CC[NH+](C)CC1 ZINC000353630232 165835741 /nfs/dbraw/zinc/83/57/41/165835741.db2.gz MLJSOGPLLNBGHC-QGZVFWFLSA-N 2 0 336.570 3.434 20 0 EGADRP COC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000353661740 165851802 /nfs/dbraw/zinc/85/18/02/165851802.db2.gz QQSGDNVZOZDRTN-INIZCTEOSA-N 2 0 342.936 3.445 20 0 EGADRP CC(C)[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000355366147 166175598 /nfs/dbraw/zinc/17/55/98/166175598.db2.gz GUCPDEFLHVDROT-HXUWFJFHSA-N 2 0 345.531 3.276 20 0 EGADRP CC[N@H+](CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC000355395079 166184133 /nfs/dbraw/zinc/18/41/33/166184133.db2.gz DMDJKQGCJZFENQ-KRWDZBQOSA-N 2 0 348.535 3.145 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000355413695 166190065 /nfs/dbraw/zinc/19/00/65/166190065.db2.gz GADGNHMGWRRIME-SJORKVTESA-N 2 0 348.535 3.145 20 0 EGADRP Cc1[nH+]ccc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000355676677 166280937 /nfs/dbraw/zinc/28/09/37/166280937.db2.gz BLRWVILGBSSBLI-LJQANCHMSA-N 2 0 345.874 3.117 20 0 EGADRP CC[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000355791183 166310592 /nfs/dbraw/zinc/31/05/92/166310592.db2.gz IBXBBEZBIMGUFN-UYAOXDASSA-N 2 0 345.531 3.278 20 0 EGADRP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000359054600 167052813 /nfs/dbraw/zinc/05/28/13/167052813.db2.gz KYENQVJFAVWYRX-UWHLTILDSA-N 2 0 328.500 3.038 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000359470998 167165236 /nfs/dbraw/zinc/16/52/36/167165236.db2.gz KXDAWVGKSBVFOC-LNLFQRSKSA-N 2 0 348.535 3.097 20 0 EGADRP COC[C@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000359661997 167204588 /nfs/dbraw/zinc/20/45/88/167204588.db2.gz PZZDOJZRPABBBD-WFXMLNOXSA-N 2 0 348.531 3.447 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)s1 ZINC000365817751 168047045 /nfs/dbraw/zinc/04/70/45/168047045.db2.gz CLLUKBURWYAOCL-AWEZNQCLSA-N 2 0 333.505 3.102 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366951544 168160658 /nfs/dbraw/zinc/16/06/58/168160658.db2.gz JNZPJKHKHDZGCK-UYAOXDASSA-N 2 0 326.488 3.164 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000367375491 168216578 /nfs/dbraw/zinc/21/65/78/168216578.db2.gz TWCLXXQRVNOZQY-SFHVURJKSA-N 2 0 347.503 3.361 20 0 EGADRP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cnn(Cc2ccccc2)c1 ZINC000367440061 168226135 /nfs/dbraw/zinc/22/61/35/168226135.db2.gz ZHIYYDZVCRGDOQ-MRXNPFEDSA-N 2 0 335.455 3.315 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000677845489 549341695 /nfs/dbraw/zinc/34/16/95/549341695.db2.gz GQPUBHVRRAXQRV-QFBILLFUSA-N 2 0 333.907 3.085 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120510806 221599094 /nfs/dbraw/zinc/59/90/94/221599094.db2.gz IPPHRCPTLLYIDI-KSZLIROESA-N 2 0 343.515 3.029 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000121264375 221800244 /nfs/dbraw/zinc/80/02/44/221800244.db2.gz IZVCOHQXCKYYEW-KXBFYZLASA-N 2 0 339.474 3.279 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000122383307 222075689 /nfs/dbraw/zinc/07/56/89/222075689.db2.gz PFXWQBSUNRTQQP-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000123207097 222235161 /nfs/dbraw/zinc/23/51/61/222235161.db2.gz AJBUGLFKYRNLED-UHFFFAOYSA-N 2 0 335.467 3.208 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000123241367 222241429 /nfs/dbraw/zinc/24/14/29/222241429.db2.gz JXVGARCKWWTMOS-UHFFFAOYSA-N 2 0 326.488 3.426 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)CN1CC[NH+](C)CC1 ZINC000171764648 227271305 /nfs/dbraw/zinc/27/13/05/227271305.db2.gz PVLRGFLTTDMRIK-MRXNPFEDSA-N 2 0 345.462 3.059 20 0 EGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000177308903 265245816 /nfs/dbraw/zinc/24/58/16/265245816.db2.gz HNKAHPVNIWZQOE-SJORKVTESA-N 2 0 342.439 3.278 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000177850362 265281662 /nfs/dbraw/zinc/28/16/62/265281662.db2.gz LBZHSJIIEDOFDS-WOJBJXKFSA-N 2 0 329.532 3.271 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000186582915 265539622 /nfs/dbraw/zinc/53/96/22/265539622.db2.gz MLERMNRGZLBIHS-IEBWSBKVSA-N 2 0 333.520 3.070 20 0 EGADRP [NH3+]CC1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCCC1 ZINC000238057608 266254312 /nfs/dbraw/zinc/25/43/12/266254312.db2.gz FSDLGIIZTLTKBY-UHFFFAOYSA-N 2 0 343.515 3.198 20 0 EGADRP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000273271823 267010244 /nfs/dbraw/zinc/01/02/44/267010244.db2.gz QEJUMEQAOUOSOD-SFHVURJKSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759390 267282491 /nfs/dbraw/zinc/28/24/91/267282491.db2.gz JOVKTCKBUBWXBR-SXLOBPIMSA-N 2 0 344.499 3.172 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000274804371 267290138 /nfs/dbraw/zinc/29/01/38/267290138.db2.gz PFRWMPYNHHLHKG-KRWDZBQOSA-N 2 0 343.515 3.340 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278463879 268018402 /nfs/dbraw/zinc/01/84/02/268018402.db2.gz FRWYYKSAOBNSER-UHFFFAOYSA-N 2 0 338.499 3.453 20 0 EGADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278470196 268019882 /nfs/dbraw/zinc/01/98/82/268019882.db2.gz NRUFFTPIWBNPHQ-INIZCTEOSA-N 2 0 329.488 3.176 20 0 EGADRP Cc1nc(F)ccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000278487589 268024327 /nfs/dbraw/zinc/02/43/27/268024327.db2.gz STPLJRMLPCOILU-IYBDPMFKSA-N 2 0 349.494 3.240 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CCCc1c(F)cccc1Cl ZINC000278525750 268032614 /nfs/dbraw/zinc/03/26/14/268032614.db2.gz TWOABFBKYSAXLM-HNNXBMFYSA-N 2 0 342.886 3.238 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000186563658 274209378 /nfs/dbraw/zinc/20/93/78/274209378.db2.gz YSNXVDGLVAFNAG-HKUYNNGSSA-N 2 0 343.515 3.049 20 0 EGADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343917240 274357873 /nfs/dbraw/zinc/35/78/73/274357873.db2.gz CUVSHJDVGYXPCN-DUXKGJEZSA-N 2 0 327.516 3.022 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)c(F)c1 ZINC000180643909 275203452 /nfs/dbraw/zinc/20/34/52/275203452.db2.gz MNRYUNJLXBFQHX-KSSFIOAISA-N 2 0 346.421 3.382 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000180712233 275203732 /nfs/dbraw/zinc/20/37/32/275203732.db2.gz ZIMXOYSMFOEBPB-FQEVSTJZSA-N 2 0 349.588 3.419 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000181409108 275206957 /nfs/dbraw/zinc/20/69/57/275206957.db2.gz SJUNJTYBJNLBKS-ACRUOGEOSA-N 2 0 344.499 3.040 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000189030682 275219384 /nfs/dbraw/zinc/21/93/84/275219384.db2.gz FODRRLHCZBPWHE-FSSWDIPSSA-N 2 0 343.559 3.259 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279789803 275359613 /nfs/dbraw/zinc/35/96/13/275359613.db2.gz UXAXFFRRCWUGNT-DMUMMCEESA-N 2 0 334.504 3.242 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000285199947 275855852 /nfs/dbraw/zinc/85/58/52/275855852.db2.gz JBBMPUVDAPOYOB-UHFFFAOYSA-N 2 0 334.423 3.491 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000236628496 275941214 /nfs/dbraw/zinc/94/12/14/275941214.db2.gz QDTYMZLCCPQTKQ-QUCCMNQESA-N 2 0 343.515 3.047 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc[nH]c2)CC1 ZINC000267132026 276202740 /nfs/dbraw/zinc/20/27/40/276202740.db2.gz RSWPSXWAEZVTFY-OAHLLOKOSA-N 2 0 330.451 3.147 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289148636 276297005 /nfs/dbraw/zinc/29/70/05/276297005.db2.gz GDTGYRHKEPTZMJ-JXFKEZNVSA-N 2 0 341.499 3.372 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000289353398 276326500 /nfs/dbraw/zinc/32/65/00/276326500.db2.gz YFSJGDIWUXTPTI-JXFKEZNVSA-N 2 0 340.515 3.079 20 0 EGADRP Cc1cc(C)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(C)c1 ZINC000289427034 276337478 /nfs/dbraw/zinc/33/74/78/276337478.db2.gz JZVPSJJPEHCKOG-UHFFFAOYSA-N 2 0 329.532 3.071 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289448647 276340481 /nfs/dbraw/zinc/34/04/81/276340481.db2.gz MVZQBDCCOZIXAE-UHFFFAOYSA-N 2 0 329.488 3.199 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000269226708 276353971 /nfs/dbraw/zinc/35/39/71/276353971.db2.gz UYLACEFOOVZOMK-QFBILLFUSA-N 2 0 331.504 3.035 20 0 EGADRP CN(Cc1c(F)cccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289774544 276391928 /nfs/dbraw/zinc/39/19/28/276391928.db2.gz RJRZVVHPTWOVLY-SJPCQFCGSA-N 2 0 331.479 3.483 20 0 EGADRP COCCOCc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000290166100 276456327 /nfs/dbraw/zinc/45/63/27/276456327.db2.gz QMTFGVPMQIOUCI-UHFFFAOYSA-N 2 0 334.504 3.061 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3C[C@H](c4ccccc4)C3(C)C)C2)CC1 ZINC000363803380 277029036 /nfs/dbraw/zinc/02/90/36/277029036.db2.gz JCHOBOOLQPKVML-CEWLAPEOSA-N 2 0 341.543 3.327 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360842160 277051633 /nfs/dbraw/zinc/05/16/33/277051633.db2.gz VOWNUAAPUMNSKJ-FQEVSTJZSA-N 2 0 329.532 3.416 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000343436518 279109083 /nfs/dbraw/zinc/10/90/83/279109083.db2.gz BHYHFOQNECRCQV-RBUKOAKNSA-N 2 0 333.520 3.364 20 0 EGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000191532279 279182375 /nfs/dbraw/zinc/18/23/75/279182375.db2.gz VLGFHYOYJCCWAA-SFHVURJKSA-N 2 0 333.520 3.191 20 0 EGADRP C[C@H](CCNC(=O)C[C@H](C)C1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000237442000 279265596 /nfs/dbraw/zinc/26/55/96/279265596.db2.gz UHSWOKBPYSUVAI-ZWKOTPCHSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000155137301 279313052 /nfs/dbraw/zinc/31/30/52/279313052.db2.gz REKADRZOMCLRCF-MLGOLLRUSA-N 2 0 342.314 3.206 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(C)ccc1OC ZINC000093405503 280187018 /nfs/dbraw/zinc/18/70/18/280187018.db2.gz IOEGYSWWBMMZNC-LJQANCHMSA-N 2 0 333.520 3.072 20 0 EGADRP Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000376210810 280574591 /nfs/dbraw/zinc/57/45/91/280574591.db2.gz LWSVVBIOVCNGQQ-JXFKEZNVSA-N 2 0 338.499 3.005 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000346882628 282010512 /nfs/dbraw/zinc/01/05/12/282010512.db2.gz YOXYWAKVCIYGKL-WMZOPIPTSA-N 2 0 331.504 3.106 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H]1CCC2(CCCCC2)O1 ZINC000342629617 289322873 /nfs/dbraw/zinc/32/28/73/289322873.db2.gz HWGPFMDMFQCQCT-NCXUSEDFSA-N 2 0 336.520 3.052 20 0 EGADRP [NH3+]CCC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)CC1CCCC1 ZINC000352544832 295229480 /nfs/dbraw/zinc/22/94/80/295229480.db2.gz DBLYZZDUGQPQJQ-UHFFFAOYSA-N 2 0 347.894 3.262 20 0 EGADRP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N(C)C)c1 ZINC000262155841 295326096 /nfs/dbraw/zinc/32/60/96/295326096.db2.gz GJOSBPZCBWQYKS-MHTWAQMVSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+][C@@H]2CCCNc3ccccc32)C[C@H](C)O1 ZINC000192767340 300255611 /nfs/dbraw/zinc/25/56/11/300255611.db2.gz BVJYENXRGCNXMQ-ABSDTBQOSA-N 2 0 331.504 3.412 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000074870400 307396699 /nfs/dbraw/zinc/39/66/99/307396699.db2.gz FVRXGSWCTDDYDU-UHFFFAOYSA-N 2 0 340.556 3.059 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000089702647 307451286 /nfs/dbraw/zinc/45/12/86/307451286.db2.gz NTJSYWHGBRTBMS-SJCJKPOMSA-N 2 0 342.314 3.206 20 0 EGADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090810547 307461622 /nfs/dbraw/zinc/46/16/22/307461622.db2.gz PJMXNJRLVAVBJP-QFBILLFUSA-N 2 0 336.520 3.321 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414081500 309059791 /nfs/dbraw/zinc/05/97/91/309059791.db2.gz FBTXXSLMAIHVIU-MJGOQNOKSA-N 2 0 336.907 3.270 20 0 EGADRP CCC(CC)(CNC(=O)C[C@@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000130763867 307633949 /nfs/dbraw/zinc/63/39/49/307633949.db2.gz ASHKAEGHVFQOAQ-IRXDYDNUSA-N 2 0 331.504 3.012 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000414104610 309061114 /nfs/dbraw/zinc/06/11/14/309061114.db2.gz ZHYTXBSJVYVNAI-DQLDELGASA-N 2 0 346.515 3.422 20 0 EGADRP c1c2ccccc2sc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134084020 307681415 /nfs/dbraw/zinc/68/14/15/307681415.db2.gz SNBCUIFYGBJQAR-UHFFFAOYSA-N 2 0 330.497 3.446 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000414176108 309064960 /nfs/dbraw/zinc/06/49/60/309064960.db2.gz HZJFPYKDSNLTKL-DZGCQCFKSA-N 2 0 325.522 3.023 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000152652859 307757079 /nfs/dbraw/zinc/75/70/79/307757079.db2.gz YPIIFEDDYLVAOZ-QGZVFWFLSA-N 2 0 343.298 3.275 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC000154392392 307793793 /nfs/dbraw/zinc/79/37/93/307793793.db2.gz KIYAZMUALYCZOX-OAHLLOKOSA-N 2 0 343.437 3.384 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@H](C)C1 ZINC000414329816 309073322 /nfs/dbraw/zinc/07/33/22/309073322.db2.gz IQQUMUIXUPYRPV-MJGOQNOKSA-N 2 0 333.520 3.086 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414331271 309073363 /nfs/dbraw/zinc/07/33/63/309073363.db2.gz STSIFWVDZIMKNQ-OXQOHEQNSA-N 2 0 343.515 3.052 20 0 EGADRP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414342588 309074136 /nfs/dbraw/zinc/07/41/36/309074136.db2.gz QCDHHSQAMFEOTK-NXNFSMPISA-N 2 0 328.500 3.038 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)[C@H](C)C2 ZINC000245904348 307961132 /nfs/dbraw/zinc/96/11/32/307961132.db2.gz FDHBZFQZANASLI-DUXKGJEZSA-N 2 0 329.532 3.090 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248405289 308002005 /nfs/dbraw/zinc/00/20/05/308002005.db2.gz RDHMZISFDGEVKW-YUMYIRISSA-N 3 0 341.543 3.219 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000248846810 308013013 /nfs/dbraw/zinc/01/30/13/308013013.db2.gz NHUPSOLBPKJTOE-CXAGYDPISA-N 2 0 326.843 3.274 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292949662 308083300 /nfs/dbraw/zinc/08/33/00/308083300.db2.gz IOJAPQLVBAEBJA-UHFFFAOYSA-N 2 0 326.488 3.287 20 0 EGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000293145636 308103489 /nfs/dbraw/zinc/10/34/89/308103489.db2.gz UOOLXGDPUKBDKV-UHFFFAOYSA-N 2 0 341.503 3.240 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000293513925 308137573 /nfs/dbraw/zinc/13/75/73/308137573.db2.gz AHNUYMVKEXYYEI-UHFFFAOYSA-N 2 0 341.543 3.414 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000294004736 308182001 /nfs/dbraw/zinc/18/20/01/308182001.db2.gz PDVMBWATMAWHIC-CALCHBBNSA-N 2 0 331.504 3.082 20 0 EGADRP Cc1nocc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294051082 308185997 /nfs/dbraw/zinc/18/59/97/308185997.db2.gz XAWZODHHJDHOMD-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000294164813 308196304 /nfs/dbraw/zinc/19/63/04/308196304.db2.gz IVEYFANMYRGLEA-INIZCTEOSA-N 2 0 328.456 3.053 20 0 EGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294692808 308246537 /nfs/dbraw/zinc/24/65/37/308246537.db2.gz ATOOISOERMZTLY-RLHTVVPMSA-N 2 0 332.488 3.411 20 0 EGADRP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccccc1 ZINC000294958400 308276162 /nfs/dbraw/zinc/27/61/62/308276162.db2.gz JRIDFOXHHBXSLA-LMNJBCLMSA-N 2 0 330.516 3.487 20 0 EGADRP CSCC1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000294965328 308277028 /nfs/dbraw/zinc/27/70/28/308277028.db2.gz FCBFFURHDPTZDK-GQOXECLESA-N 2 0 348.556 3.265 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH3+])c1ccccc1C ZINC000295148070 308296859 /nfs/dbraw/zinc/29/68/59/308296859.db2.gz JHCAVBXUDPKACG-FQEVSTJZSA-N 2 0 339.483 3.105 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000295325695 308314650 /nfs/dbraw/zinc/31/46/50/308314650.db2.gz XEZRDFCAPVFXLW-LJQANCHMSA-N 2 0 325.456 3.428 20 0 EGADRP CC(C)(O)c1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000295630169 308345236 /nfs/dbraw/zinc/34/52/36/308345236.db2.gz FTIQMUICOAWNMR-UHFFFAOYSA-N 2 0 339.483 3.315 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC[NH2+]1 ZINC000414694921 309095877 /nfs/dbraw/zinc/09/58/77/309095877.db2.gz TYDVUUUBPLKMMJ-HZPDHXFCSA-N 2 0 344.478 3.468 20 0 EGADRP CC[C@@H]([NH3+])CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414706050 309096358 /nfs/dbraw/zinc/09/63/58/309096358.db2.gz GBKCWEPUTHOCFM-MRXNPFEDSA-N 2 0 332.492 3.310 20 0 EGADRP COc1cc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c(SC)cc1OC ZINC000414715971 309097063 /nfs/dbraw/zinc/09/70/63/309097063.db2.gz WJJJDCUYAUDFBR-KBPBESRZSA-N 2 0 338.517 3.246 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC[NH2+]1 ZINC000414717934 309097167 /nfs/dbraw/zinc/09/71/67/309097167.db2.gz ZXBHTXHVLBNLIX-HOTGVXAUSA-N 2 0 344.478 3.468 20 0 EGADRP CCc1nc2ccccc2n1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000296733608 308461333 /nfs/dbraw/zinc/46/13/33/308461333.db2.gz CHWOBQCMCJKXIE-UHFFFAOYSA-N 2 0 326.488 3.235 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414745545 309098553 /nfs/dbraw/zinc/09/85/53/309098553.db2.gz KZQRNLZSNAHELF-RYUDHWBXSA-N 2 0 329.257 3.408 20 0 EGADRP COc1ccc(O[C@@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297341093 308524266 /nfs/dbraw/zinc/52/42/66/308524266.db2.gz DNKJWHCUSAHBHC-INIZCTEOSA-N 2 0 341.455 3.116 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCOc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000414755216 309098983 /nfs/dbraw/zinc/09/89/83/309098983.db2.gz HCCYOALDOWEXFU-CHWSQXEVSA-N 2 0 339.277 3.032 20 0 EGADRP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772074 309099870 /nfs/dbraw/zinc/09/98/70/309099870.db2.gz BGADOOIEZQWQOG-CABCVRRESA-N 2 0 328.378 3.407 20 0 EGADRP Fc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000414773758 309100126 /nfs/dbraw/zinc/10/01/26/309100126.db2.gz DZQPTYDSEBWLJE-STQMWFEESA-N 2 0 341.268 3.410 20 0 EGADRP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414783149 309100750 /nfs/dbraw/zinc/10/07/50/309100750.db2.gz PKYGXQLSGJRLTR-JKSUJKDBSA-N 2 0 342.405 3.449 20 0 EGADRP Fc1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783651 309100763 /nfs/dbraw/zinc/10/07/63/309100763.db2.gz QHBADPHBHJEGOF-OLZOCXBDSA-N 2 0 341.268 3.410 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414782240 309100841 /nfs/dbraw/zinc/10/08/41/309100841.db2.gz OBSKKYWRJXPDMP-QZTJIDSGSA-N 2 0 332.488 3.306 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1OC ZINC000414784955 309100956 /nfs/dbraw/zinc/10/09/56/309100956.db2.gz RVWYVYWFOFTTPJ-UONOGXRCSA-N 2 0 338.879 3.179 20 0 EGADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414788278 309101303 /nfs/dbraw/zinc/10/13/03/309101303.db2.gz WNYQCLLYSRTDMZ-KBPBESRZSA-N 2 0 340.414 3.118 20 0 EGADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414788916 309101338 /nfs/dbraw/zinc/10/13/38/309101338.db2.gz XNAVEFOMFSWTMU-KBPBESRZSA-N 2 0 328.378 3.249 20 0 EGADRP COc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414808691 309102839 /nfs/dbraw/zinc/10/28/39/309102839.db2.gz SONQKQZSQHDBDC-RISCZKNCSA-N 2 0 327.266 3.065 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414812084 309103242 /nfs/dbraw/zinc/10/32/42/309103242.db2.gz QVIHQEGZYWOZLK-LBPRGKRZSA-N 2 0 341.883 3.173 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414829258 309104249 /nfs/dbraw/zinc/10/42/49/309104249.db2.gz NOSGGVBBWFAKOB-INIZCTEOSA-N 2 0 340.467 3.460 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000414835992 309104617 /nfs/dbraw/zinc/10/46/17/309104617.db2.gz JASKGDWKYQQXJI-HNNXBMFYSA-N 2 0 344.503 3.259 20 0 EGADRP Fc1ccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000301293303 308695318 /nfs/dbraw/zinc/69/53/18/308695318.db2.gz VYJDFZMAYXZNDJ-CQSZACIVSA-N 2 0 329.419 3.287 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1NCC1CC[NH+](CCO)CC1 ZINC000302059767 308727427 /nfs/dbraw/zinc/72/74/27/308727427.db2.gz RMNXMRVUBWISMB-UHFFFAOYSA-N 2 0 327.472 3.222 20 0 EGADRP Cc1cc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c2cc(F)ccc2[nH+]1 ZINC000333643041 308864713 /nfs/dbraw/zinc/86/47/13/308864713.db2.gz IPFPWMNKLNCNTF-XLIONFOSSA-N 2 0 343.446 3.405 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000411512165 308941982 /nfs/dbraw/zinc/94/19/82/308941982.db2.gz ANBYJGQJRVCIDH-DLBZAZTESA-N 2 0 337.552 3.170 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414851337 309105437 /nfs/dbraw/zinc/10/54/37/309105437.db2.gz JASBLFJHPHFTRV-WBVHZDCISA-N 2 0 335.923 3.282 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OCc1ccccc1 ZINC000414894764 309107938 /nfs/dbraw/zinc/10/79/38/309107938.db2.gz LSOGJMTXRQIKOW-INIZCTEOSA-N 2 0 328.456 3.491 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000414898653 309108038 /nfs/dbraw/zinc/10/80/38/309108038.db2.gz SZKFNBMJQXTVTO-BXKDBHETSA-N 2 0 344.299 3.386 20 0 EGADRP CC1(C[NH2+]Cc2c(F)ccc(Br)c2F)CC[NH2+]CC1 ZINC000414897606 309108062 /nfs/dbraw/zinc/10/80/62/309108062.db2.gz DZKZZKJBKKIKCS-UHFFFAOYSA-N 2 0 333.220 3.207 20 0 EGADRP Cn1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414912138 309108966 /nfs/dbraw/zinc/10/89/66/309108966.db2.gz VAVMQRDALWLLKS-SFHVURJKSA-N 2 0 332.879 3.220 20 0 EGADRP c1ccc(CC[NH+]2CCC(NC[C@@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414958675 309111475 /nfs/dbraw/zinc/11/14/75/309111475.db2.gz RNZDDIDYDNNHLX-QHCPKHFHSA-N 2 0 349.522 3.170 20 0 EGADRP Cc1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000414997432 309113292 /nfs/dbraw/zinc/11/32/92/309113292.db2.gz HIZFMCVSXCFSLH-DOTOQJQBSA-N 2 0 333.476 3.382 20 0 EGADRP CCCCOc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OC ZINC000415003051 309113736 /nfs/dbraw/zinc/11/37/36/309113736.db2.gz FIQRRAUWQDIPBX-ZWKOTPCHSA-N 2 0 332.488 3.352 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415011998 309114271 /nfs/dbraw/zinc/11/42/71/309114271.db2.gz WTNIJKQMZGGTBF-NBYUQASBSA-N 2 0 334.479 3.312 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000415013290 309114274 /nfs/dbraw/zinc/11/42/74/309114274.db2.gz KIFSQNFFIHJPPU-LLVKDONJSA-N 2 0 328.382 3.199 20 0 EGADRP Clc1ccc(-n2cc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cn2)cc1 ZINC000415016152 309114452 /nfs/dbraw/zinc/11/44/52/309114452.db2.gz ZVHQFYKRHICWDB-ZWKOTPCHSA-N 2 0 330.863 3.003 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415026809 309115074 /nfs/dbraw/zinc/11/50/74/309115074.db2.gz VNHQNGOOCSUUDC-ZDUSSCGKSA-N 2 0 334.895 3.419 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000415027193 309115236 /nfs/dbraw/zinc/11/52/36/309115236.db2.gz VVNISOSKRBVLQN-MXVIHJGJSA-N 2 0 329.532 3.048 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC1CCCC1 ZINC000415078198 309118633 /nfs/dbraw/zinc/11/86/33/309118633.db2.gz FXSJOMIUBQTBSH-DOTOQJQBSA-N 2 0 332.488 3.494 20 0 EGADRP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000415081969 309119079 /nfs/dbraw/zinc/11/90/79/309119079.db2.gz LMOKQIAIIWPEPF-CWRNSKLLSA-N 2 0 336.863 3.122 20 0 EGADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415086253 309119400 /nfs/dbraw/zinc/11/94/00/309119400.db2.gz RXQREWHPUKLJPO-AHKRWKSXSA-N 2 0 346.515 3.419 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH2+]C1 ZINC000415089497 309119470 /nfs/dbraw/zinc/11/94/70/309119470.db2.gz YBCMBIQCGKUPEB-AEFFLSMTSA-N 2 0 339.886 3.033 20 0 EGADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415091390 309119608 /nfs/dbraw/zinc/11/96/08/309119608.db2.gz ZBGFZDSWIQKZBR-AAEUAGOBSA-N 2 0 329.257 3.251 20 0 EGADRP Cc1cccc(N2CCC([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)n1 ZINC000415091213 309119624 /nfs/dbraw/zinc/11/96/24/309119624.db2.gz PYPALFUVBSSTSJ-IEBWSBKVSA-N 2 0 330.520 3.259 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415098828 309120109 /nfs/dbraw/zinc/12/01/09/309120109.db2.gz FWEVXBGDKAFMSX-FXAWDEMLSA-N 2 0 326.488 3.332 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000415100041 309120337 /nfs/dbraw/zinc/12/03/37/309120337.db2.gz ACAIAWDCYAJKAR-DLBZAZTESA-N 2 0 326.843 3.197 20 0 EGADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415104289 309120583 /nfs/dbraw/zinc/12/05/83/309120583.db2.gz KQFXRHXLUJIHBG-PWRODBHTSA-N 2 0 342.531 3.161 20 0 EGADRP CC1(C)Cc2cccc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)c2O1 ZINC000415108245 309120816 /nfs/dbraw/zinc/12/08/16/309120816.db2.gz MAGNFRYKIZPTIC-UYAOXDASSA-N 2 0 344.499 3.118 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000415115733 309121210 /nfs/dbraw/zinc/12/12/10/309121210.db2.gz XFHSKMGVFWWJDM-SJORKVTESA-N 2 0 326.843 3.197 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415116513 309121385 /nfs/dbraw/zinc/12/13/85/309121385.db2.gz BNVFKLLCGWJXIG-JRGCBEDISA-N 2 0 330.516 3.474 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000415117490 309121389 /nfs/dbraw/zinc/12/13/89/309121389.db2.gz ZKXRKWVEDXYFKA-UKRRQHHQSA-N 2 0 348.434 3.485 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C1 ZINC000415128597 309122341 /nfs/dbraw/zinc/12/23/41/309122341.db2.gz SLZQJUHTYBEFCO-WBVHZDCISA-N 2 0 326.843 3.197 20 0 EGADRP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415128083 309122432 /nfs/dbraw/zinc/12/24/32/309122432.db2.gz JMVNLEPHKAZXKJ-UYAOXDASSA-N 2 0 329.532 3.396 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000415132343 309122745 /nfs/dbraw/zinc/12/27/45/309122745.db2.gz KYLLLOGWEOFDCO-WSTZPKSXSA-N 2 0 329.532 3.394 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415133651 309122900 /nfs/dbraw/zinc/12/29/00/309122900.db2.gz VJBVPNVZQGBCKY-ZFWWWQNUSA-N 2 0 332.879 3.251 20 0 EGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000415146658 309123674 /nfs/dbraw/zinc/12/36/74/309123674.db2.gz YXPNBWGWXFWDDX-UHFFFAOYSA-N 2 0 328.481 3.123 20 0 EGADRP Cc1cc(NC(=O)NC2(C)CC[NH2+]CC2)cnc1N1CCCC[C@@H]1C ZINC000415452724 309133950 /nfs/dbraw/zinc/13/39/50/309133950.db2.gz KUGVPAKNUNXZQM-HNNXBMFYSA-N 2 0 345.491 3.032 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415900463 309146898 /nfs/dbraw/zinc/14/68/98/309146898.db2.gz TTYBOUMGTOSRJI-UHFFFAOYSA-N 2 0 344.503 3.062 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000415903808 309147123 /nfs/dbraw/zinc/14/71/23/309147123.db2.gz QTISYKRIKNLEJO-INIZCTEOSA-N 2 0 332.492 3.182 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000415912141 309147997 /nfs/dbraw/zinc/14/79/97/309147997.db2.gz BFPAVHVBUMMERI-UHFFFAOYSA-N 2 0 332.492 3.038 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000415926007 309149222 /nfs/dbraw/zinc/14/92/22/309149222.db2.gz CIXMFLVGJFKHGF-UHFFFAOYSA-N 2 0 340.471 3.002 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000415936656 309149953 /nfs/dbraw/zinc/14/99/53/309149953.db2.gz UFRJYHAFRPAOCA-IBGZPJMESA-N 2 0 346.519 3.428 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000415945466 309150634 /nfs/dbraw/zinc/15/06/34/309150634.db2.gz DCDGRMPPVHJDEK-IBGZPJMESA-N 2 0 338.455 3.104 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415956959 309151203 /nfs/dbraw/zinc/15/12/03/309151203.db2.gz LPLYMQNZUASXLS-UHFFFAOYSA-N 2 0 332.492 3.265 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000415976609 309152472 /nfs/dbraw/zinc/15/24/72/309152472.db2.gz WFZLJFDUECDXRT-MRXNPFEDSA-N 2 0 340.471 3.048 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982384 309152836 /nfs/dbraw/zinc/15/28/36/309152836.db2.gz XNJOYUXVGTZDGI-GASCZTMLSA-N 2 0 332.492 3.023 20 0 EGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccco1 ZINC000415985790 309152905 /nfs/dbraw/zinc/15/29/05/309152905.db2.gz UBNYMXDPCQKAEH-WMLDXEAASA-N 2 0 344.459 3.250 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000416000298 309153894 /nfs/dbraw/zinc/15/38/94/309153894.db2.gz WWTHUBMYIGOVAV-UHFFFAOYSA-N 2 0 342.487 3.020 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000418176471 309238807 /nfs/dbraw/zinc/23/88/07/309238807.db2.gz HBIAVDZRNBHFOH-QRQLOZEOSA-N 2 0 348.535 3.001 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000420296052 309279961 /nfs/dbraw/zinc/27/99/61/309279961.db2.gz CXQWXBDDSNMZKS-QGZVFWFLSA-N 2 0 334.529 3.489 20 0 EGADRP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299642 309280210 /nfs/dbraw/zinc/28/02/10/309280210.db2.gz JCRMLQJAUKUFQB-YSSFQJQWSA-N 2 0 346.902 3.134 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420298644 309280227 /nfs/dbraw/zinc/28/02/27/309280227.db2.gz FMTNBHVCBIHZRQ-HBMCJLEFSA-N 2 0 326.484 3.391 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420311150 309281247 /nfs/dbraw/zinc/28/12/47/309281247.db2.gz NHTSXIIYEQUICI-ZDUSSCGKSA-N 2 0 332.469 3.249 20 0 EGADRP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420315224 309281497 /nfs/dbraw/zinc/28/14/97/309281497.db2.gz KXDLQRCOSITWGI-DNVCBOLYSA-N 2 0 337.458 3.033 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420316817 309281564 /nfs/dbraw/zinc/28/15/64/309281564.db2.gz YNXSJTSWIBBWOQ-BJJXKVORSA-N 2 0 344.480 3.247 20 0 EGADRP Fc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420319403 309281845 /nfs/dbraw/zinc/28/18/45/309281845.db2.gz ABMOVTCTIXXPEY-HOTGVXAUSA-N 2 0 329.419 3.302 20 0 EGADRP CC[NH+](CC)CCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321249 309282091 /nfs/dbraw/zinc/28/20/91/309282091.db2.gz ZUUQIBCGYQJPKX-GOSISDBHSA-N 2 0 335.561 3.424 20 0 EGADRP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420331679 309282916 /nfs/dbraw/zinc/28/29/16/309282916.db2.gz ITNGMVKDKISGRV-YUELXQCFSA-N 2 0 346.862 3.382 20 0 EGADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345766 309283501 /nfs/dbraw/zinc/28/35/01/309283501.db2.gz WOQHCZBLUBCYQB-DLBZAZTESA-N 2 0 343.515 3.244 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000420353175 309283672 /nfs/dbraw/zinc/28/36/72/309283672.db2.gz BHUKJCGDXBXMIE-FQEVSTJZSA-N 2 0 339.483 3.087 20 0 EGADRP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000420359431 309284094 /nfs/dbraw/zinc/28/40/94/309284094.db2.gz KMEQJFQRAHMGEA-IRXDYDNUSA-N 2 0 326.488 3.440 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000420367631 309284632 /nfs/dbraw/zinc/28/46/32/309284632.db2.gz HGHKCPQKTMVBIN-QAPCUYQASA-N 2 0 326.440 3.021 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420370878 309284924 /nfs/dbraw/zinc/28/49/24/309284924.db2.gz CZGITFHBGQHMTO-BEFAXECRSA-N 2 0 341.503 3.432 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000420374960 309285106 /nfs/dbraw/zinc/28/51/06/309285106.db2.gz IELALAVYQOLTME-YLJYHZDGSA-N 2 0 341.455 3.060 20 0 EGADRP COc1ccccc1COC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420376645 309285192 /nfs/dbraw/zinc/28/51/92/309285192.db2.gz QXHKJUXYKJYHHQ-KRWDZBQOSA-N 2 0 332.488 3.066 20 0 EGADRP FC(F)(F)c1ccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420377963 309285353 /nfs/dbraw/zinc/28/53/53/309285353.db2.gz TUXKUQGRCPLEOV-QGZVFWFLSA-N 2 0 342.405 3.468 20 0 EGADRP COc1ccc(Cl)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420386290 309285791 /nfs/dbraw/zinc/28/57/91/309285791.db2.gz ISOUZRZMFISCAL-QAPCUYQASA-N 2 0 338.879 3.067 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3SC)CC2)CC1 ZINC000420977446 309305520 /nfs/dbraw/zinc/30/55/20/309305520.db2.gz IDGPIWSNVSNFKA-UHFFFAOYSA-N 2 0 347.572 3.401 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)sc3C)CC2)CC1 ZINC000420981172 309305611 /nfs/dbraw/zinc/30/56/11/309305611.db2.gz MQXGLYPFNGTFKE-UHFFFAOYSA-N 2 0 335.561 3.357 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC000420985908 309305928 /nfs/dbraw/zinc/30/59/28/309305928.db2.gz XEKFUSRODIOKGS-UHFFFAOYSA-N 2 0 349.950 3.375 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(SC)cc3)CC2)CC1 ZINC000420984902 309305999 /nfs/dbraw/zinc/30/59/99/309305999.db2.gz VFXQAJIAYTXCHK-UHFFFAOYSA-N 2 0 347.572 3.401 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3C(C)=CCC[C@@H]3C)CC2)CC1 ZINC000421372692 309321255 /nfs/dbraw/zinc/32/12/55/309321255.db2.gz LIJSMJNSCWPSPZ-FPOVZHCZSA-N 2 0 333.564 3.471 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000421372807 309321359 /nfs/dbraw/zinc/32/13/59/309321359.db2.gz MUFMTPLFQHVBFS-UHFFFAOYSA-N 2 0 330.451 3.033 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000421840929 309342754 /nfs/dbraw/zinc/34/27/54/309342754.db2.gz JGLYGGBKOUHSNY-CABCVRRESA-N 2 0 339.911 3.025 20 0 EGADRP Fc1cccc(F)c1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422691906 309363312 /nfs/dbraw/zinc/36/33/12/309363312.db2.gz JDTVXXNNSIBRIF-AZUAARDMSA-N 2 0 344.405 3.353 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1OC(F)F ZINC000422697187 309363597 /nfs/dbraw/zinc/36/35/97/309363597.db2.gz UENTYBPEKZQBMK-GXTWGEPZSA-N 2 0 328.403 3.164 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422710700 309364183 /nfs/dbraw/zinc/36/41/83/309364183.db2.gz LYVVEWLQCBZVBF-ZIAGYGMSSA-N 2 0 329.419 3.293 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000422710388 309364255 /nfs/dbraw/zinc/36/42/55/309364255.db2.gz LCVHLXKBMKLJEN-KSZLIROESA-N 2 0 331.504 3.174 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422712740 309364508 /nfs/dbraw/zinc/36/45/08/309364508.db2.gz IUEIBGKRPMUIKE-XYEHWOGUSA-N 2 0 341.543 3.334 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422715510 309364684 /nfs/dbraw/zinc/36/46/84/309364684.db2.gz SEIZTWSLYPWVGF-LPHOPBHVSA-N 2 0 341.430 3.295 20 0 EGADRP C[C@H]([NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000422725942 309365250 /nfs/dbraw/zinc/36/52/50/309365250.db2.gz CPXQQGURDDTMDR-XKGZKEIXSA-N 2 0 329.532 3.047 20 0 EGADRP CCc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422730822 309365464 /nfs/dbraw/zinc/36/54/64/309365464.db2.gz KLWMMURLPKHDJW-BURNTYAHSA-N 2 0 329.532 3.362 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422733658 309365643 /nfs/dbraw/zinc/36/56/43/309365643.db2.gz REXRMHMRSQVYMD-AVRDEDQJSA-N 2 0 337.511 3.199 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccc1OC ZINC000422735746 309365876 /nfs/dbraw/zinc/36/58/76/309365876.db2.gz VCHSDVATPBFZPH-RCCFBDPRSA-N 2 0 332.488 3.494 20 0 EGADRP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422744557 309366230 /nfs/dbraw/zinc/36/62/30/309366230.db2.gz WGVVZZQLYURIBC-GBESFXJTSA-N 2 0 332.488 3.112 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCCN(C)c1ccccc1 ZINC000422741372 309366332 /nfs/dbraw/zinc/36/63/32/309366332.db2.gz PRJXZNOKLSZBKC-WIYYLYMNSA-N 2 0 325.500 3.451 20 0 EGADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422767614 309367308 /nfs/dbraw/zinc/36/73/08/309367308.db2.gz TWCGUYBKAIEZMS-HABKJSAYSA-N 2 0 328.378 3.345 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422769905 309367582 /nfs/dbraw/zinc/36/75/82/309367582.db2.gz VMLDSXMETURFIO-YJYMSZOUSA-N 2 0 346.906 3.456 20 0 EGADRP CCN(CCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422783341 309368150 /nfs/dbraw/zinc/36/81/50/309368150.db2.gz KTVHWVYIIWSUPL-INIZCTEOSA-N 2 0 326.488 3.416 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422793003 309368496 /nfs/dbraw/zinc/36/84/96/309368496.db2.gz FMKQNRXRBHVEJS-SJLPKXTDSA-N 2 0 344.499 3.247 20 0 EGADRP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000422792162 309368543 /nfs/dbraw/zinc/36/85/43/309368543.db2.gz QWIWNTOUCUBHTB-VAMGGRTRSA-N 2 0 342.462 3.064 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2cccs2)C2CC2)CC[NH2+]CC1 ZINC000422797560 309368780 /nfs/dbraw/zinc/36/87/80/309368780.db2.gz NIPBVXOJDSMOOQ-CZUORRHYSA-N 2 0 336.501 3.110 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422799497 309369081 /nfs/dbraw/zinc/36/90/81/309369081.db2.gz XANMNCWEXWSMNT-KPOBHBOGSA-N 2 0 344.430 3.460 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422811999 309369798 /nfs/dbraw/zinc/36/97/98/309369798.db2.gz VSOSFJQXQZKCNE-AWEZNQCLSA-N 2 0 349.482 3.314 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422818471 309370135 /nfs/dbraw/zinc/37/01/35/309370135.db2.gz GHUWXUKBJFIDHQ-SGIREYDYSA-N 2 0 331.287 3.268 20 0 EGADRP CCC(CC)[C@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)[NH+]1CCCC1 ZINC000422818203 309370164 /nfs/dbraw/zinc/37/01/64/309370164.db2.gz JTBKEXKTTZQTDA-YWZLYKJASA-N 2 0 332.536 3.400 20 0 EGADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422821379 309370314 /nfs/dbraw/zinc/37/03/14/309370314.db2.gz VWBWPTUTSNJWNP-SLFFLAALSA-N 2 0 333.495 3.158 20 0 EGADRP c1ccc(COCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422834628 309371018 /nfs/dbraw/zinc/37/10/18/309371018.db2.gz ZXFLOEFOBZKNIU-PZJWPPBQSA-N 2 0 338.451 3.049 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000422839173 309371405 /nfs/dbraw/zinc/37/14/05/309371405.db2.gz PSQBOPNXTWKSKR-MRXNPFEDSA-N 3 0 332.536 3.257 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422847745 309371869 /nfs/dbraw/zinc/37/18/69/309371869.db2.gz RXZQGMMYVIWIJC-ZENOOKHLSA-N 2 0 327.875 3.331 20 0 EGADRP CC[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)Oc1cccc(F)c1 ZINC000422857505 309372466 /nfs/dbraw/zinc/37/24/66/309372466.db2.gz YIXCAPCVHWJJLP-DYVFJYSZSA-N 2 0 331.435 3.496 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422870803 309372860 /nfs/dbraw/zinc/37/28/60/309372860.db2.gz CHDBRKLLHKYXBD-YTQUADARSA-N 2 0 332.488 3.160 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(OCCC(C)C)c1 ZINC000422869103 309372880 /nfs/dbraw/zinc/37/28/80/309372880.db2.gz WDCYJMNIDIYLMW-QXAKKESOSA-N 2 0 334.504 3.262 20 0 EGADRP COc1cc2[nH]c(CCC[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2c(OC)c1 ZINC000422870274 309372940 /nfs/dbraw/zinc/37/29/40/309372940.db2.gz XKVOOIQGOHAOJN-KSSFIOAISA-N 2 0 345.487 3.225 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422880821 309373580 /nfs/dbraw/zinc/37/35/80/309373580.db2.gz OUPKZRZWNHALOH-VQIMIIECSA-N 3 0 335.923 3.269 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCC1 ZINC000422881615 309373757 /nfs/dbraw/zinc/37/37/57/309373757.db2.gz QSYGEDWOQOHTLX-QGTPRVQTSA-N 2 0 336.907 3.494 20 0 EGADRP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422893580 309374674 /nfs/dbraw/zinc/37/46/74/309374674.db2.gz AHLFFRNIEFWWFE-XWPNQZOQSA-N 2 0 331.479 3.162 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422921141 309376269 /nfs/dbraw/zinc/37/62/69/309376269.db2.gz NKVHSIMUUIADAZ-JTQLQIEISA-N 2 0 339.789 3.240 20 0 EGADRP CCOCCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422943735 309377419 /nfs/dbraw/zinc/37/74/19/309377419.db2.gz RGJFDVUDQRVUTO-NQIIRXRSSA-N 2 0 344.499 3.429 20 0 EGADRP CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422977600 309379391 /nfs/dbraw/zinc/37/93/91/309379391.db2.gz FYLUONVGFUKTMZ-CWFSZBLJSA-N 2 0 332.488 3.363 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc2c(c1)COC2 ZINC000422994551 309379927 /nfs/dbraw/zinc/37/99/27/309379927.db2.gz VPZFGWCUHGBTFD-TZIWHRDSSA-N 2 0 336.435 3.062 20 0 EGADRP COc1cccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422996840 309380134 /nfs/dbraw/zinc/38/01/34/309380134.db2.gz ABXFITYYHOBGMU-SLFFLAALSA-N 2 0 332.488 3.112 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1C ZINC000423000519 309380239 /nfs/dbraw/zinc/38/02/39/309380239.db2.gz VIDYZIHFMYZZIP-QHAWAJNXSA-N 2 0 330.516 3.475 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423010741 309380707 /nfs/dbraw/zinc/38/07/07/309380707.db2.gz HKMWPOSZJUMDOQ-CABCVRRESA-N 2 0 327.472 3.387 20 0 EGADRP C[C@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423011105 309380767 /nfs/dbraw/zinc/38/07/67/309380767.db2.gz YZYAQYBMZFCVEP-JXFKEZNVSA-N 2 0 327.472 3.142 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCCCC[C@H]3[NH3+])c2)CC1 ZINC000423021807 309381396 /nfs/dbraw/zinc/38/13/96/309381396.db2.gz CXYMPNNFUZOMAH-UXHICEINSA-N 2 0 330.520 3.289 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCCC[C@@H]3C[NH3+])c2)CC1 ZINC000423025108 309381624 /nfs/dbraw/zinc/38/16/24/309381624.db2.gz KPCBMUUJZGEAJN-XLIONFOSSA-N 2 0 330.520 3.146 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423027687 309381865 /nfs/dbraw/zinc/38/18/65/309381865.db2.gz RSWFOQVUNYXWGT-ZHALLVOQSA-N 2 0 342.483 3.258 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2c(C)cccc2C)CC[NH2+]CC1 ZINC000423032466 309382076 /nfs/dbraw/zinc/38/20/76/309382076.db2.gz FKCUSULYDCJURW-IAGOWNOFSA-N 2 0 332.488 3.275 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[NH2+]CC[C@@H]3C)c2)CC1 ZINC000423036153 309382189 /nfs/dbraw/zinc/38/21/89/309382189.db2.gz ZZZXNEOFASTIPT-PXNSSMCTSA-N 2 0 330.520 3.017 20 0 EGADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@@H]1CC[NH2+]C1 ZINC000423035500 309382227 /nfs/dbraw/zinc/38/22/27/309382227.db2.gz RNIKZMJCFJBZKW-VXGBXAGGSA-N 2 0 336.277 3.061 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423040606 309382382 /nfs/dbraw/zinc/38/23/82/309382382.db2.gz HPTHKBSCQWYVAP-HWWQOWPSSA-N 2 0 328.287 3.289 20 0 EGADRP Cc1csc([C@H](C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423041684 309382587 /nfs/dbraw/zinc/38/25/87/309382587.db2.gz XRRIBKKQMDUOKK-ACWOFJMJSA-N 2 0 343.496 3.401 20 0 EGADRP CC[C@@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423043848 309382675 /nfs/dbraw/zinc/38/26/75/309382675.db2.gz ADDRQSIRQSVRHR-IKGGRYGDSA-N 2 0 343.437 3.428 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000423046911 309382795 /nfs/dbraw/zinc/38/27/95/309382795.db2.gz FITOCZCBYHQIOY-UVFQYZLESA-N 2 0 326.488 3.191 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(C(C)C)c2)CC[NH2+]CC1 ZINC000423054420 309383415 /nfs/dbraw/zinc/38/34/15/309383415.db2.gz UHDOCKIEZPSUGM-MRXNPFEDSA-N 2 0 332.488 3.221 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423063589 309383941 /nfs/dbraw/zinc/38/39/41/309383941.db2.gz PGUWVGRIJULQIV-GDBMZVCRSA-N 2 0 335.458 3.161 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066852 309384100 /nfs/dbraw/zinc/38/41/00/309384100.db2.gz FNZAZUIVHOMFSQ-BXUZGUMPSA-N 2 0 344.286 3.206 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423069101 309384278 /nfs/dbraw/zinc/38/42/78/309384278.db2.gz DEFPUCQNHLPJOH-WIBUTAKZSA-N 2 0 325.456 3.277 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1C[NH2+]C1 ZINC000423072610 309384541 /nfs/dbraw/zinc/38/45/41/309384541.db2.gz PVEHKCQBKFIPKT-BXUZGUMPSA-N 2 0 328.287 3.160 20 0 EGADRP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000423076743 309384609 /nfs/dbraw/zinc/38/46/09/309384609.db2.gz RXTFXMVQNVQQQZ-FDKIHUSFSA-N 2 0 346.490 3.192 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000423090384 309385374 /nfs/dbraw/zinc/38/53/74/309385374.db2.gz VKCLIDJLEZNSBR-JKSUJKDBSA-N 2 0 342.487 3.021 20 0 EGADRP c1ccc(N2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423089582 309385406 /nfs/dbraw/zinc/38/54/06/309385406.db2.gz VMYFIAGPJSKYEP-BVOGOJNSSA-N 2 0 327.516 3.413 20 0 EGADRP C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)C1C[NH2+]C1 ZINC000423106142 309386356 /nfs/dbraw/zinc/38/63/56/309386356.db2.gz OJVSBRWECMHCIX-SJKOYZFVSA-N 2 0 342.405 3.371 20 0 EGADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423110294 309386558 /nfs/dbraw/zinc/38/65/58/309386558.db2.gz PCKASQKSWPMGSC-MBPVOVBZSA-N 2 0 346.515 3.324 20 0 EGADRP CC(C)Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000423124880 309386997 /nfs/dbraw/zinc/38/69/97/309386997.db2.gz MVRVQSWLLNPNRS-JGUMPVPUSA-N 2 0 329.532 3.360 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000423131956 309387591 /nfs/dbraw/zinc/38/75/91/309387591.db2.gz UDYHXHLBVKFREE-VDGAXYAQSA-N 2 0 333.520 3.054 20 0 EGADRP Fc1cc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423146509 309388383 /nfs/dbraw/zinc/38/83/83/309388383.db2.gz AOUNJMIUYXHIAR-XKQJLSEDSA-N 2 0 326.843 3.368 20 0 EGADRP Cc1cccnc1CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423157528 309388741 /nfs/dbraw/zinc/38/87/41/309388741.db2.gz VMEMCKJNZUHPOC-PZJWPPBQSA-N 2 0 337.467 3.168 20 0 EGADRP FC(F)(F)c1cccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C2CC2)c1 ZINC000423175356 309389108 /nfs/dbraw/zinc/38/91/08/309389108.db2.gz DTVMWVFASQEGOP-KRWDZBQOSA-N 2 0 341.421 3.041 20 0 EGADRP Clc1cccc([C@H]2CCC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)c1 ZINC000423176693 309389120 /nfs/dbraw/zinc/38/91/20/309389120.db2.gz COSTTXRLZYLBSL-PKOBYXMFSA-N 2 0 335.923 3.251 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423175687 309389169 /nfs/dbraw/zinc/38/91/69/309389169.db2.gz ASEQSLPDOSTSQF-KRWDZBQOSA-N 2 0 343.437 3.287 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-c2cccs2)cc1 ZINC000423181743 309389255 /nfs/dbraw/zinc/38/92/55/309389255.db2.gz PKRNZGQIWDXLCV-INIZCTEOSA-N 2 0 329.513 3.361 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCC2)c2ccccc21 ZINC000423177211 309389272 /nfs/dbraw/zinc/38/92/72/309389272.db2.gz IJWPNVFCQCIRLS-MSOLQXFVSA-N 2 0 330.472 3.419 20 0 EGADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423186411 309389525 /nfs/dbraw/zinc/38/95/25/309389525.db2.gz OAKOQEJCTAECDJ-KRWDZBQOSA-N 2 0 342.531 3.109 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423188646 309389654 /nfs/dbraw/zinc/38/96/54/309389654.db2.gz LYAGSXOMFZMMHI-TUFLPTIASA-N 3 0 327.516 3.019 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c(Br)c1 ZINC000423205759 309390379 /nfs/dbraw/zinc/39/03/79/309390379.db2.gz BJAGUIQDMIFVKG-VOMCLLRMSA-N 2 0 327.266 3.378 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000423223994 309391202 /nfs/dbraw/zinc/39/12/02/309391202.db2.gz BFSXPVVETVOXOS-DPVAKWRKSA-N 3 0 327.516 3.289 20 0 EGADRP C[C@H]([NH3+])CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423228054 309391473 /nfs/dbraw/zinc/39/14/73/309391473.db2.gz YASKBXFNROLATD-BLLLJJGKSA-N 2 0 341.293 3.244 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000423255750 309392480 /nfs/dbraw/zinc/39/24/80/309392480.db2.gz ASOKDRMFJDDHFS-MNEFBYGVSA-N 2 0 336.907 3.409 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423259577 309392749 /nfs/dbraw/zinc/39/27/49/309392749.db2.gz OICUJEGPXZZDLQ-QWHCGFSZSA-N 2 0 326.868 3.398 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423261594 309392753 /nfs/dbraw/zinc/39/27/53/309392753.db2.gz SMKGBEPMNXJKFS-QWRGUYRKSA-N 2 0 330.245 3.024 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423316399 309395051 /nfs/dbraw/zinc/39/50/51/309395051.db2.gz APPPVMYXCJEIAN-IBGZPJMESA-N 2 0 345.531 3.293 20 0 EGADRP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000423344547 309396181 /nfs/dbraw/zinc/39/61/81/309396181.db2.gz FJACDOIJOIWNLG-GOSISDBHSA-N 2 0 329.488 3.042 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])C1CCC1)C1CCCCC1 ZINC000423345637 309396369 /nfs/dbraw/zinc/39/63/69/309396369.db2.gz FZFOHLIWSZINTF-HXUWFJFHSA-N 2 0 343.515 3.195 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423349849 309396639 /nfs/dbraw/zinc/39/66/39/309396639.db2.gz XXADVZKBHQWZMX-OAHLLOKOSA-N 2 0 325.225 3.085 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000423363780 309397114 /nfs/dbraw/zinc/39/71/14/309397114.db2.gz VFOIMUOZDCDPEJ-FGTMMUONSA-N 2 0 343.515 3.433 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000423371283 309397661 /nfs/dbraw/zinc/39/76/61/309397661.db2.gz FHYWICKLGXWDAG-DOTOQJQBSA-N 2 0 331.504 3.010 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000423375697 309397703 /nfs/dbraw/zinc/39/77/03/309397703.db2.gz DDKCWRZUKBAJTA-CABCVRRESA-N 2 0 349.828 3.217 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)s1 ZINC000423392395 309398355 /nfs/dbraw/zinc/39/83/55/309398355.db2.gz QBPUFLOHTBHDFK-GFCCVEGCSA-N 2 0 331.485 3.094 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423403233 309398797 /nfs/dbraw/zinc/39/87/97/309398797.db2.gz RUKPWUSVWOQKHJ-QVKFZJNVSA-N 2 0 334.467 3.353 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC[NH2+]CC1 ZINC000423407567 309398914 /nfs/dbraw/zinc/39/89/14/309398914.db2.gz MRWDDQMYBGXEKK-QGZVFWFLSA-N 2 0 339.483 3.415 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC[NH2+]CC1 ZINC000423406287 309398920 /nfs/dbraw/zinc/39/89/20/309398920.db2.gz KKILCOGOSHWAOQ-ZDUSSCGKSA-N 2 0 325.522 3.242 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CC[NH2+]CC1 ZINC000423406680 309398986 /nfs/dbraw/zinc/39/89/86/309398986.db2.gz KZONNLABXBHDPS-CYBMUJFWSA-N 2 0 339.549 3.416 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423455940 309401088 /nfs/dbraw/zinc/40/10/88/309401088.db2.gz GFQLKPLBAIYCNN-OHDUNHEQSA-N 2 0 349.316 3.412 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423477815 309401770 /nfs/dbraw/zinc/40/17/70/309401770.db2.gz KNIQOGHERKEPMV-FPOVZHCZSA-N 2 0 339.483 3.496 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423494831 309403020 /nfs/dbraw/zinc/40/30/20/309403020.db2.gz BCCAYSKNKOEEQO-APWZRJJASA-N 2 0 325.456 3.474 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nc2ccc(Cl)cc2n1C ZINC000423541714 309405814 /nfs/dbraw/zinc/40/58/14/309405814.db2.gz LMHYDEIABCXAQA-SFDCQRBFSA-N 2 0 332.879 3.265 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423556882 309406248 /nfs/dbraw/zinc/40/62/48/309406248.db2.gz ZKKUBVPRGHWYLX-NQUFMGSDSA-N 2 0 342.487 3.009 20 0 EGADRP C[C@H](C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccc(F)cc1 ZINC000424368587 309440651 /nfs/dbraw/zinc/44/06/51/309440651.db2.gz APSJQPQVKHSYLQ-CQSZACIVSA-N 2 0 328.435 3.066 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1O ZINC000426400314 309506251 /nfs/dbraw/zinc/50/62/51/309506251.db2.gz HERDNRPOCMJVJY-QGZVFWFLSA-N 2 0 334.504 3.434 20 0 EGADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430599532 309612676 /nfs/dbraw/zinc/61/26/76/309612676.db2.gz VYYUBJNTZJRIQO-OAHLLOKOSA-N 2 0 329.444 3.232 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000430934871 309621378 /nfs/dbraw/zinc/62/13/78/309621378.db2.gz QZYGLRDMPCZVHV-NEPJUHHUSA-N 2 0 343.393 3.092 20 0 EGADRP CC(C)c1ccc(CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433160644 309680385 /nfs/dbraw/zinc/68/03/85/309680385.db2.gz HODFGTHGRRPWTO-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000443859881 309908728 /nfs/dbraw/zinc/90/87/28/309908728.db2.gz SSSRTWPIRZLFGP-PMACEKPBSA-N 2 0 333.564 3.328 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC000449037720 310032019 /nfs/dbraw/zinc/03/20/19/310032019.db2.gz OJSGAACTSZTUAH-UHFFFAOYSA-N 2 0 334.504 3.326 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449109985 310037807 /nfs/dbraw/zinc/03/78/07/310037807.db2.gz ZYCYBJKGPOJKQM-GFCCVEGCSA-N 2 0 336.277 3.427 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449130286 310039109 /nfs/dbraw/zinc/03/91/09/310039109.db2.gz GJRKLPFKDODPGW-MRXNPFEDSA-N 2 0 344.478 3.436 20 0 EGADRP COCC1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000449144286 310040213 /nfs/dbraw/zinc/04/02/13/310040213.db2.gz SLPIOMUQHJAAIT-UHFFFAOYSA-N 2 0 346.515 3.456 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449149455 310040549 /nfs/dbraw/zinc/04/05/49/310040549.db2.gz NOSJVLKWCWZBKG-QPIRBTGLSA-N 2 0 338.536 3.083 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc(F)cc2)n1 ZINC000449178188 310042538 /nfs/dbraw/zinc/04/25/38/310042538.db2.gz WWFKDIPOAVTMON-MSOLQXFVSA-N 2 0 330.451 3.189 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449236750 310046690 /nfs/dbraw/zinc/04/66/90/310046690.db2.gz LEMWZBKZLFQQLI-CQSZACIVSA-N 2 0 330.394 3.039 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000449366187 310056889 /nfs/dbraw/zinc/05/68/89/310056889.db2.gz XYPQZUIRZRFYCD-CZAAIQMYSA-N 2 0 348.506 3.362 20 0 EGADRP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449578358 310073429 /nfs/dbraw/zinc/07/34/29/310073429.db2.gz KYQDZHFEGQRDFH-XNTOXWQXSA-N 2 0 328.500 3.038 20 0 EGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1n1cccn1 ZINC000449661046 310078386 /nfs/dbraw/zinc/07/83/86/310078386.db2.gz YYCYHSKHQVYYMI-KSZLIROESA-N 2 0 348.535 3.233 20 0 EGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1n1cccn1 ZINC000449661053 310078413 /nfs/dbraw/zinc/07/84/13/310078413.db2.gz YYCYHSKHQVYYMI-RCCFBDPRSA-N 2 0 348.535 3.233 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449905505 310093393 /nfs/dbraw/zinc/09/33/93/310093393.db2.gz FYVQZOSKSDSNPR-ICSRJNTNSA-N 2 0 347.547 3.260 20 0 EGADRP CC(C)Oc1ccc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000450253047 310111217 /nfs/dbraw/zinc/11/12/17/310111217.db2.gz LUKXFDDHUGMMCW-JKSUJKDBSA-N 2 0 325.456 3.483 20 0 EGADRP C[C@@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450638217 310134277 /nfs/dbraw/zinc/13/42/77/310134277.db2.gz BLOMKOQHCHSJCH-IQIXRORZSA-N 2 0 345.575 3.161 20 0 EGADRP C[C@@H]1C[N@H+](CC/C=C\c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000450651818 310135313 /nfs/dbraw/zinc/13/53/13/310135313.db2.gz LZCWYOQVJDWWLU-FUKWUPMWSA-N 2 0 327.516 3.190 20 0 EGADRP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453056035 310254642 /nfs/dbraw/zinc/25/46/42/310254642.db2.gz KOCGQNKAFUCZLD-ACRUOGEOSA-N 2 0 338.499 3.306 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCc3ccccc3CC2)C[C@H](C)O1 ZINC000453080869 310256652 /nfs/dbraw/zinc/25/66/52/310256652.db2.gz KREOJWMFFLUNOD-ROUUACIJSA-N 2 0 330.516 3.413 20 0 EGADRP C[C@H](CCCc1cccnc1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000453083739 310256781 /nfs/dbraw/zinc/25/67/81/310256781.db2.gz NFOAFXAZTMSJSO-QRVBRYPASA-N 2 0 333.520 3.272 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453350141 310272366 /nfs/dbraw/zinc/27/23/66/310272366.db2.gz PDNAZRZBVDUBIR-ZCNNSNEGSA-N 2 0 328.500 3.182 20 0 EGADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000453391493 310274462 /nfs/dbraw/zinc/27/44/62/310274462.db2.gz DOGIBEKMYQRUCG-CEMLEFRQSA-N 3 0 341.543 3.361 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453411617 310275680 /nfs/dbraw/zinc/27/56/80/310275680.db2.gz VREGTMRTFMLXGX-CQSZACIVSA-N 2 0 329.488 3.441 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3C[NH+](C4CCCCC4)C3)ccc21 ZINC000457828003 310474331 /nfs/dbraw/zinc/47/43/31/310474331.db2.gz IQJHYOMVKGNSKT-FQEVSTJZSA-N 2 0 341.499 3.439 20 0 EGADRP Fc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(F)c1F ZINC000459470162 310554871 /nfs/dbraw/zinc/55/48/71/310554871.db2.gz AKTHEKOUHZZRNP-UHFFFAOYSA-N 2 0 335.373 3.300 20 0 EGADRP Fc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459502134 310557026 /nfs/dbraw/zinc/55/70/26/310557026.db2.gz DJEMBDUKMOWORP-SFHVURJKSA-N 2 0 327.403 3.303 20 0 EGADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCOCC[NH+](C)C ZINC000462822632 310606245 /nfs/dbraw/zinc/60/62/45/310606245.db2.gz PLMVBILELSJFGA-MRXNPFEDSA-N 2 0 331.504 3.392 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000472066499 310758234 /nfs/dbraw/zinc/75/82/34/310758234.db2.gz UUFDDNWXFLUNMK-GOSISDBHSA-N 2 0 340.556 3.014 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000479067475 310868506 /nfs/dbraw/zinc/86/85/06/310868506.db2.gz KECZBAZWSGNPII-BEFAXECRSA-N 2 0 339.474 3.135 20 0 EGADRP CC[C@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)[NH+](CC)CC ZINC000480045901 310888412 /nfs/dbraw/zinc/88/84/12/310888412.db2.gz PRUGYQPJHAFWOC-QGZVFWFLSA-N 2 0 325.541 3.268 20 0 EGADRP C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000480186538 310890877 /nfs/dbraw/zinc/89/08/77/310890877.db2.gz XCUNTMUUIVPBJI-GOSISDBHSA-N 2 0 341.499 3.414 20 0 EGADRP CC(C)(C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C[NH+]1CCCC1 ZINC000480919075 310902696 /nfs/dbraw/zinc/90/26/96/310902696.db2.gz DQHXZJHBRRIHBC-FQEVSTJZSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000486939108 311003213 /nfs/dbraw/zinc/00/32/13/311003213.db2.gz JHJIUKSDQQQIEM-PXNSSMCTSA-N 2 0 343.515 3.097 20 0 EGADRP C[C@H]1C[C@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000488449064 311066334 /nfs/dbraw/zinc/06/63/34/311066334.db2.gz OPJBFNHILOJTGM-KBPBESRZSA-N 2 0 341.421 3.203 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000490208954 311136021 /nfs/dbraw/zinc/13/60/21/311136021.db2.gz FTMXPDKHMXOYBZ-IBGZPJMESA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H](c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490993539 311160295 /nfs/dbraw/zinc/16/02/95/311160295.db2.gz HKCXWRSFPURPHJ-GJYPPUQNSA-N 2 0 335.923 3.359 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492213507 311227045 /nfs/dbraw/zinc/22/70/45/311227045.db2.gz BMPWYXPTJSXTEO-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349849 311240850 /nfs/dbraw/zinc/24/08/50/311240850.db2.gz HRDRHWJCGQGNOW-TZIWHRDSSA-N 2 0 329.532 3.219 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495820664 311616710 /nfs/dbraw/zinc/61/67/10/311616710.db2.gz YRJKHILTLUNBIT-KLAILNCOSA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496714457 311754207 /nfs/dbraw/zinc/75/42/07/311754207.db2.gz AKXNGJJPLGQZBW-HRCADAONSA-N 2 0 327.513 3.272 20 0 EGADRP c1ccc(OCCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506022368 312040504 /nfs/dbraw/zinc/04/05/04/312040504.db2.gz MKDKQCHIHYYUJY-UHFFFAOYSA-N 2 0 346.515 3.280 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000507954627 312085954 /nfs/dbraw/zinc/08/59/54/312085954.db2.gz WWUXRYSRIUSYBO-GFOJFJKKSA-N 2 0 330.516 3.285 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695110 312099746 /nfs/dbraw/zinc/09/97/46/312099746.db2.gz HMICMVCXSYWGNC-NRSPTQNISA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721537 312100732 /nfs/dbraw/zinc/10/07/32/312100732.db2.gz VHRHHDOEBOPNBT-SFHLNBCPSA-N 2 0 329.532 3.361 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510542844 312143032 /nfs/dbraw/zinc/14/30/32/312143032.db2.gz CLHLHBVSCFDZMZ-JZXOWHBKSA-N 2 0 333.520 3.269 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000513713576 312216048 /nfs/dbraw/zinc/21/60/48/312216048.db2.gz QGGLRMGSIIRSIG-OAHLLOKOSA-N 2 0 340.458 3.111 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342966 /nfs/dbraw/zinc/34/29/66/312342966.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343010 /nfs/dbraw/zinc/34/30/10/312343010.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000517230852 312370600 /nfs/dbraw/zinc/37/06/00/312370600.db2.gz KFPDVWKWWLZCCS-WIYYLYMNSA-N 2 0 332.532 3.499 20 0 EGADRP O=C(NCCCCC[NH+]1CCCCC1)Nc1cccc2c1CC[NH2+]C2 ZINC000519114364 312440909 /nfs/dbraw/zinc/44/09/09/312440909.db2.gz KZKXTKYJNIGQTQ-UHFFFAOYSA-N 2 0 344.503 3.110 20 0 EGADRP C[C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000525180785 312702445 /nfs/dbraw/zinc/70/24/45/312702445.db2.gz DNDADPHAWDZTPI-PZJWPPBQSA-N 2 0 329.532 3.363 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC000529528795 313344425 /nfs/dbraw/zinc/34/44/25/313344425.db2.gz GZJOAAALLQSXHQ-UHFFFAOYSA-N 2 0 340.515 3.158 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537939227 314217791 /nfs/dbraw/zinc/21/77/91/314217791.db2.gz IIZNNKKMQOXRFM-JYRKZWEQSA-N 3 0 329.532 3.217 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992141 314222381 /nfs/dbraw/zinc/22/23/81/314222381.db2.gz YMACMKVTYNPWMF-BVYCBKJFSA-N 2 0 343.559 3.389 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000537991484 314222531 /nfs/dbraw/zinc/22/25/31/314222531.db2.gz ORGRJJOBIBEKIB-OGHNNQOOSA-N 2 0 337.305 3.452 20 0 EGADRP CC[NH+]1CCC([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000538196644 314231407 /nfs/dbraw/zinc/23/14/07/314231407.db2.gz TZZAQSOFONZSNI-ICSRJNTNSA-N 3 0 329.532 3.361 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000539646387 314326149 /nfs/dbraw/zinc/32/61/49/314326149.db2.gz OBMKZBWJIQAGCM-HKUYNNGSSA-N 2 0 330.520 3.112 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000539863404 314346623 /nfs/dbraw/zinc/34/66/23/314346623.db2.gz ZZHMRMKWGBXXRR-IRLDBZIGSA-N 2 0 341.543 3.281 20 0 EGADRP CC[N@H+](CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C1CC1 ZINC000539908721 314351035 /nfs/dbraw/zinc/35/10/35/314351035.db2.gz HYSFKAKTFMOXGE-UHFFFAOYSA-N 2 0 343.515 3.384 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000540464149 314382547 /nfs/dbraw/zinc/38/25/47/314382547.db2.gz PJLFKPCCRFGQGH-UZLBHIALSA-N 2 0 333.520 3.435 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000545980963 314800057 /nfs/dbraw/zinc/80/00/57/314800057.db2.gz TUYNIEMYNWOTQQ-PMACEKPBSA-N 2 0 344.547 3.033 20 0 EGADRP COc1cc2c(cc1C[NH2+]CCCCC[NH+]1CCCC1)O[C@@H](C)C2 ZINC000550265389 315122327 /nfs/dbraw/zinc/12/23/27/315122327.db2.gz GOWIMMKAZNILEW-INIZCTEOSA-N 2 0 332.488 3.374 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000554363226 315313377 /nfs/dbraw/zinc/31/33/77/315313377.db2.gz BTJVBKNNULXNMN-POZUXBRTSA-N 2 0 331.479 3.417 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000554918087 315356919 /nfs/dbraw/zinc/35/69/19/315356919.db2.gz SDAFUBQZDYHFSZ-KRWDZBQOSA-N 2 0 326.488 3.215 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000558101731 315550319 /nfs/dbraw/zinc/55/03/19/315550319.db2.gz IHWBNFQKZMHSNX-LJQANCHMSA-N 2 0 338.923 3.297 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000558623963 315585354 /nfs/dbraw/zinc/58/53/54/315585354.db2.gz KLGMFNXRRCYCFG-HXUWFJFHSA-N 2 0 344.499 3.210 20 0 EGADRP Fc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000563150082 315965215 /nfs/dbraw/zinc/96/52/15/315965215.db2.gz AMNVEDRDWPTYHD-MRXNPFEDSA-N 2 0 329.419 3.302 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3[NH2+]CCCC3(C)C)ccc21 ZINC000563496637 316028638 /nfs/dbraw/zinc/02/86/38/316028638.db2.gz IGJKCARYACFGBD-ROUUACIJSA-N 2 0 344.503 3.135 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C1 ZINC000563797438 316070892 /nfs/dbraw/zinc/07/08/92/316070892.db2.gz FQZYARHTWIBAPX-VQIMIIECSA-N 2 0 343.446 3.092 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894120 316087289 /nfs/dbraw/zinc/08/72/89/316087289.db2.gz GZXFAUJUPZFQCX-FQEVSTJZSA-N 2 0 339.483 3.434 20 0 EGADRP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000564196197 316122803 /nfs/dbraw/zinc/12/28/03/316122803.db2.gz NHFNOGUWGJHJOD-MJGOQNOKSA-N 2 0 348.535 3.096 20 0 EGADRP Cc1cccn2cc(COc3ccc(C[N@H+](C)CCC[NH3+])cc3)nc12 ZINC000564654729 316182866 /nfs/dbraw/zinc/18/28/66/316182866.db2.gz BSKIMEHJDNJSKY-UHFFFAOYSA-N 2 0 338.455 3.002 20 0 EGADRP Brc1ccccc1C[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000564822582 316212464 /nfs/dbraw/zinc/21/24/64/316212464.db2.gz HPHXFMLWXJOPKT-QGZVFWFLSA-N 2 0 337.305 3.359 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000565226332 316294685 /nfs/dbraw/zinc/29/46/85/316294685.db2.gz JUSMUVQJZIULAD-QWRGUYRKSA-N 2 0 336.789 3.025 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCCc3ccccc32)CC1 ZINC000565962747 316395701 /nfs/dbraw/zinc/39/57/01/316395701.db2.gz YZUYJCOLNXCEMC-OAQYLSRUSA-N 2 0 329.532 3.412 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000566088615 316414073 /nfs/dbraw/zinc/41/40/73/316414073.db2.gz JQVGGUUMFFBJOX-HLAWJBBLSA-N 2 0 344.499 3.163 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000566088614 316414178 /nfs/dbraw/zinc/41/41/78/316414178.db2.gz JQVGGUUMFFBJOX-GIVPXCGWSA-N 2 0 344.499 3.163 20 0 EGADRP C[NH+](C)C1(CNC(=O)CC[C@H]([NH3+])c2ccccc2)CCCCCC1 ZINC000566794913 316527875 /nfs/dbraw/zinc/52/78/75/316527875.db2.gz UIOZGRSBWXKAGS-SFHVURJKSA-N 2 0 331.504 3.237 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC[C@H](F)C2)CC1 ZINC000566973058 316551906 /nfs/dbraw/zinc/55/19/06/316551906.db2.gz NSWXJINAHBXUHQ-LSDHHAIUSA-N 2 0 339.886 3.462 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000570003539 316994269 /nfs/dbraw/zinc/99/42/69/316994269.db2.gz DTYULHDUHYEQRB-UHFFFAOYSA-N 2 0 343.446 3.314 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295745 317036200 /nfs/dbraw/zinc/03/62/00/317036200.db2.gz MAPNZNMZULWZCW-HOTGVXAUSA-N 2 0 344.503 3.146 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000570360061 317045071 /nfs/dbraw/zinc/04/50/71/317045071.db2.gz KGMXNGPUNAIMBJ-STQMWFEESA-N 2 0 343.284 3.451 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000570450644 317057809 /nfs/dbraw/zinc/05/78/09/317057809.db2.gz NUIGZKRXIBAVQS-OXQOHEQNSA-N 2 0 347.572 3.402 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000570590921 317078215 /nfs/dbraw/zinc/07/82/15/317078215.db2.gz XWPSXSVHVMMSHE-AWEZNQCLSA-N 2 0 327.472 3.096 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000570625984 317083130 /nfs/dbraw/zinc/08/31/30/317083130.db2.gz TWQRDWWUZFVHTE-HNNXBMFYSA-N 2 0 337.895 3.379 20 0 EGADRP CC(C)N(C)c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000571350202 317186809 /nfs/dbraw/zinc/18/68/09/317186809.db2.gz OELOQLLKSXYKHK-UHFFFAOYSA-N 2 0 332.536 3.478 20 0 EGADRP CC(C)c1cccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000573445409 317486044 /nfs/dbraw/zinc/48/60/44/317486044.db2.gz VFVCLKZZJXMCAF-SFHVURJKSA-N 2 0 329.488 3.070 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c(Cl)c2)C[C@@H](C)O1 ZINC000179075484 323368212 /nfs/dbraw/zinc/36/82/12/323368212.db2.gz ZSTZVOHCCLEPRT-ZIAGYGMSSA-N 2 0 328.859 3.458 20 0 EGADRP CCc1nc2ccccc2n1Cc1noc(C23CCC[NH+]2CCC3)n1 ZINC000351208554 324195678 /nfs/dbraw/zinc/19/56/78/324195678.db2.gz QTYFGLMXCQUMGO-UHFFFAOYSA-N 2 0 337.427 3.115 20 0 EGADRP O[C@H](CC1CCCC1)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385898994 324264891 /nfs/dbraw/zinc/26/48/91/324264891.db2.gz FSDCTNPMLNAVAV-BHIFYINESA-N 2 0 342.527 3.382 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000577865371 324880635 /nfs/dbraw/zinc/88/06/35/324880635.db2.gz XRUYHQHWDARXNO-KRWDZBQOSA-N 2 0 349.544 3.198 20 0 EGADRP CC(C)CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C ZINC000578672478 325002287 /nfs/dbraw/zinc/00/22/87/325002287.db2.gz HLLKYXDXTSVJNN-SJORKVTESA-N 2 0 325.541 3.014 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000578738252 325011259 /nfs/dbraw/zinc/01/12/59/325011259.db2.gz AFXYGVDYKOFTKU-AWEZNQCLSA-N 2 0 327.241 3.165 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)c2nccn21 ZINC000578850722 325027878 /nfs/dbraw/zinc/02/78/78/325027878.db2.gz MEOVWSCZNXGUQE-FSPWUOQZSA-N 2 0 349.438 3.041 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000579099900 325062154 /nfs/dbraw/zinc/06/21/54/325062154.db2.gz JXNVMIGCXNBYSY-HRCADAONSA-N 2 0 337.895 3.177 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2)n1 ZINC000579700023 325146594 /nfs/dbraw/zinc/14/65/94/325146594.db2.gz IDKUOJGQNROZQV-IRXDYDNUSA-N 2 0 328.460 3.091 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000579930136 325178348 /nfs/dbraw/zinc/17/83/48/325178348.db2.gz WGQYXDPIQZKXRE-HXUWFJFHSA-N 2 0 345.531 3.258 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000580548285 325265562 /nfs/dbraw/zinc/26/55/62/325265562.db2.gz MOOVHWJQWNCCMK-QFBILLFUSA-N 2 0 345.531 3.352 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000580772418 325294777 /nfs/dbraw/zinc/29/47/77/325294777.db2.gz YZDXMRNCOSLYNS-SOLBZPMBSA-N 2 0 331.504 3.010 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000580906824 325308531 /nfs/dbraw/zinc/30/85/31/325308531.db2.gz OAYPWQWIOHBUFI-LJQANCHMSA-N 2 0 340.467 3.110 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2C[C@@H](C)C[NH+](Cc3ccccc3)C2)C1 ZINC000581694589 325383049 /nfs/dbraw/zinc/38/30/49/325383049.db2.gz YHMYHFQLKCMTQW-HLAWJBBLSA-N 2 0 329.532 3.217 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000157702498 455223161 /nfs/dbraw/zinc/22/31/61/455223161.db2.gz GHTDDUBFGSAVHU-ZTNFWEORSA-N 2 0 332.488 3.235 20 0 EGADRP CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000183084815 455225226 /nfs/dbraw/zinc/22/52/26/455225226.db2.gz HXOPMBMJCCTCHD-SJLPKXTDSA-N 2 0 345.531 3.100 20 0 EGADRP c1csc(CC2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)n1 ZINC000631836961 460578093 /nfs/dbraw/zinc/57/80/93/460578093.db2.gz KPKJWSOIZVMHAK-UHFFFAOYSA-N 2 0 327.497 3.244 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000158834367 455331925 /nfs/dbraw/zinc/33/19/25/455331925.db2.gz XSCLOLQPNMVUCV-ICSRJNTNSA-N 2 0 338.536 3.159 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)c(C(C)C)c1 ZINC000631846543 460579737 /nfs/dbraw/zinc/57/97/37/460579737.db2.gz ZXIAICDUCRVDKD-LJQANCHMSA-N 2 0 341.503 3.431 20 0 EGADRP Fc1cc(Br)cnc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000623533999 460599896 /nfs/dbraw/zinc/59/98/96/460599896.db2.gz RKJNXZARJDTYPV-UHFFFAOYSA-N 2 0 344.272 3.339 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000075346566 453882295 /nfs/dbraw/zinc/88/22/95/453882295.db2.gz QWMCXRDGLOGSGY-OAHLLOKOSA-N 2 0 343.471 3.051 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1C ZINC000076329177 453989286 /nfs/dbraw/zinc/98/92/86/453989286.db2.gz OWMKJGAWIWXHQM-SFHVURJKSA-N 2 0 346.519 3.183 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(C)cc2)CC1 ZINC000076776538 454035904 /nfs/dbraw/zinc/03/59/04/454035904.db2.gz NTGDIZFDJPHZFE-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056522701 454064557 /nfs/dbraw/zinc/06/45/57/454064557.db2.gz OWHRLKCOQLKFOR-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000245937631 455404181 /nfs/dbraw/zinc/40/41/81/455404181.db2.gz JJPYJONUELNYCV-DEYYWGMASA-N 2 0 339.886 3.378 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000089269446 454132393 /nfs/dbraw/zinc/13/23/93/454132393.db2.gz CILLMGZZBQOOLF-UHFFFAOYSA-N 2 0 325.500 3.298 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000089516666 454158371 /nfs/dbraw/zinc/15/83/71/454158371.db2.gz JHVNJVSIITXSMN-CJNGLKHVSA-N 2 0 341.293 3.148 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000089702645 454179518 /nfs/dbraw/zinc/17/95/18/454179518.db2.gz NTJSYWHGBRTBMS-YVEFUNNKSA-N 2 0 342.314 3.206 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000131085984 454234592 /nfs/dbraw/zinc/23/45/92/454234592.db2.gz CRQHYIYOCPGFDG-CEWLAPEOSA-N 2 0 329.532 3.389 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H](C)C1 ZINC000095967429 454242911 /nfs/dbraw/zinc/24/29/11/454242911.db2.gz YARCBWICIVYVGR-VQIMIIECSA-N 2 0 334.479 3.194 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)CCC2 ZINC000090400741 454299718 /nfs/dbraw/zinc/29/97/18/454299718.db2.gz SWMAXHHNVSSTPR-NRFANRHFSA-N 2 0 329.532 3.415 20 0 EGADRP Clc1ccccc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060833546 454316572 /nfs/dbraw/zinc/31/65/72/454316572.db2.gz ARBYLDACEOQTTK-UHFFFAOYSA-N 2 0 343.902 3.247 20 0 EGADRP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090526058 454317412 /nfs/dbraw/zinc/31/74/12/454317412.db2.gz FTBFLJKHQXFXMQ-UFYCRDLUSA-N 2 0 344.499 3.040 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCSCc3ccccc3)CC2)C1 ZINC000090554353 454321615 /nfs/dbraw/zinc/32/16/15/454321615.db2.gz KTLQTKKXRMJTOT-HXUWFJFHSA-N 2 0 347.572 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3cccnc3)CC2)C1 ZINC000090585481 454323602 /nfs/dbraw/zinc/32/36/02/454323602.db2.gz ULYMOUUTTYQLMM-HXUWFJFHSA-N 2 0 344.547 3.004 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](O)Cc1ccccc1 ZINC000090655759 454332021 /nfs/dbraw/zinc/33/20/21/454332021.db2.gz VKEFSOGDFAFJJF-LAUBAEHRSA-N 2 0 330.516 3.365 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000090936622 454351349 /nfs/dbraw/zinc/35/13/49/454351349.db2.gz CIDGISHJSOOYEI-DFGXFYAUSA-N 2 0 334.504 3.201 20 0 EGADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000090936904 454351556 /nfs/dbraw/zinc/35/15/56/454351556.db2.gz PBTORGASROLSJQ-ZDUSSCGKSA-N 2 0 348.516 3.200 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cc2c(s1)CCCC2)CN1CC[NH+](C)CC1 ZINC000120893378 454361277 /nfs/dbraw/zinc/36/12/77/454361277.db2.gz IRTGELDVXFHQLG-HOTGVXAUSA-N 2 0 335.561 3.161 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@H](C)O1 ZINC000062252937 454371618 /nfs/dbraw/zinc/37/16/18/454371618.db2.gz QGCJHRJSAPFQGM-GJZGRUSLSA-N 2 0 348.516 3.117 20 0 EGADRP CN(c1ccccc1C[NH2+]Cc1cccc(O)c1)C1CC[NH+](C)CC1 ZINC000133614353 454446538 /nfs/dbraw/zinc/44/65/38/454446538.db2.gz TWWPQKYFHXJJMG-UHFFFAOYSA-N 2 0 339.483 3.212 20 0 EGADRP Oc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000101600226 454475596 /nfs/dbraw/zinc/47/55/96/454475596.db2.gz UHDMYJGQORBFDF-UHFFFAOYSA-N 2 0 326.440 3.157 20 0 EGADRP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564559 454498924 /nfs/dbraw/zinc/49/89/24/454498924.db2.gz OVCJAUXQZMLRGP-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000122743250 454564726 /nfs/dbraw/zinc/56/47/26/454564726.db2.gz ONDRZXUEWUFBJV-LJQANCHMSA-N 2 0 337.467 3.257 20 0 EGADRP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)cn1 ZINC000134903247 454606312 /nfs/dbraw/zinc/60/63/12/454606312.db2.gz PQXPCBIWDXUCBH-WIYYLYMNSA-N 2 0 336.483 3.321 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123171156 454610718 /nfs/dbraw/zinc/61/07/18/454610718.db2.gz WVHNFORIRHSYEJ-NHCUHLMSSA-N 2 0 343.559 3.432 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000080647301 454611013 /nfs/dbraw/zinc/61/10/13/454611013.db2.gz DWAKESUAJKIQCZ-UHFFFAOYSA-N 2 0 334.504 3.197 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000092720568 454617025 /nfs/dbraw/zinc/61/70/25/454617025.db2.gz ZUNOEFLVSLMTDV-HNNXBMFYSA-N 2 0 345.531 3.325 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635003700 460646901 /nfs/dbraw/zinc/64/69/01/460646901.db2.gz AZKPLHSRFUUNIB-BFYDXBDKSA-N 2 0 332.492 3.385 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)CCCn1ccnc1 ZINC000124441869 454733601 /nfs/dbraw/zinc/73/36/01/454733601.db2.gz ARGDZUXEESVDAD-MRXNPFEDSA-N 2 0 336.439 3.385 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000161947584 454738866 /nfs/dbraw/zinc/73/88/66/454738866.db2.gz ATPNGKRSWNQNQJ-FZDIXFNVSA-N 2 0 332.488 3.091 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1OC ZINC000124513853 454742667 /nfs/dbraw/zinc/74/26/67/454742667.db2.gz SSGDVDLCNRBKQK-IBGZPJMESA-N 2 0 333.520 3.010 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000162144728 454754195 /nfs/dbraw/zinc/75/41/95/454754195.db2.gz QAVGDYOZBSXUEW-UEXGIBASSA-N 2 0 329.532 3.278 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000153367508 454786722 /nfs/dbraw/zinc/78/67/22/454786722.db2.gz OCAPAWGROOCEQG-BWPNAZKDSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000182248640 455471967 /nfs/dbraw/zinc/47/19/67/455471967.db2.gz KZYPREAMJCCPJH-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(Cl)c3)CC[C@@H]21 ZINC000162805105 454801270 /nfs/dbraw/zinc/80/12/70/454801270.db2.gz WHKSMGGALAUVLN-YOEHRIQHSA-N 2 0 335.879 3.085 20 0 EGADRP C[C@@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153678058 454819968 /nfs/dbraw/zinc/81/99/68/454819968.db2.gz XYFINRKVGOZZOZ-MJGOQNOKSA-N 2 0 345.531 3.295 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163104426 454823006 /nfs/dbraw/zinc/82/30/06/454823006.db2.gz FNWWXOPLIGAUGL-RISCZKNCSA-N 2 0 331.291 3.120 20 0 EGADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000163206581 454830660 /nfs/dbraw/zinc/83/06/60/454830660.db2.gz YOXQITTYBDWNRA-DYESRHJHSA-N 2 0 342.483 3.320 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246291556 455465345 /nfs/dbraw/zinc/46/53/45/455465345.db2.gz NIKMAINPTNYCLT-YQVWRLOYSA-N 2 0 345.531 3.339 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011892 460656026 /nfs/dbraw/zinc/65/60/26/460656026.db2.gz QANLOPCJUWUADY-CZUORRHYSA-N 2 0 333.476 3.082 20 0 EGADRP C[C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000163623342 454859509 /nfs/dbraw/zinc/85/95/09/454859509.db2.gz SCKZFFKQGKLOSB-RDJZCZTQSA-N 2 0 349.544 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000177473931 454868155 /nfs/dbraw/zinc/86/81/55/454868155.db2.gz IJGAWIWUGQMYIK-RLLQIKCJSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154344884 454887609 /nfs/dbraw/zinc/88/76/09/454887609.db2.gz RXWHCWXQLUAVEI-UZLBHIALSA-N 2 0 333.495 3.066 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154391724 454892817 /nfs/dbraw/zinc/89/28/17/454892817.db2.gz XZVVXKHSYXVNCK-FQEVSTJZSA-N 2 0 335.511 3.010 20 0 EGADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000177751865 454899881 /nfs/dbraw/zinc/89/98/81/454899881.db2.gz HKYUZWXWYKYFRM-RCCFBDPRSA-N 2 0 334.504 3.201 20 0 EGADRP CCC(CC)(CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000168759061 454927629 /nfs/dbraw/zinc/92/76/29/454927629.db2.gz TVZKAZQXWMXJEE-APWZRJJASA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000154988215 454951058 /nfs/dbraw/zinc/95/10/58/454951058.db2.gz XKNUFWKBFWNJHW-XJKSGUPXSA-N 2 0 339.936 3.102 20 0 EGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127473011 454968048 /nfs/dbraw/zinc/96/80/48/454968048.db2.gz SZDJDDNGFZKOHC-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP Fc1ccc(-c2noc([C@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)n2)cc1 ZINC000178971332 454994851 /nfs/dbraw/zinc/99/48/51/454994851.db2.gz SZXQMRGIIUDEGE-INIZCTEOSA-N 2 0 344.434 3.055 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1)C1CC1 ZINC000152159611 455080360 /nfs/dbraw/zinc/08/03/60/455080360.db2.gz QXOPGYZKOQUQGT-HXUWFJFHSA-N 2 0 337.467 3.101 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)c2ccccc2)[C@H](C)C1 ZINC000156142076 455086137 /nfs/dbraw/zinc/08/61/37/455086137.db2.gz FGHIODTXHVUSPR-SBHAEUEKSA-N 2 0 347.547 3.238 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc2nccn21)c1ccccc1 ZINC000179956204 455106047 /nfs/dbraw/zinc/10/60/47/455106047.db2.gz MTHOOTDHHUQYBX-GOSISDBHSA-N 2 0 348.450 3.119 20 0 EGADRP COC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152444991 455120469 /nfs/dbraw/zinc/12/04/69/455120469.db2.gz SBOODPNSBMOFJF-GUYCJALGSA-N 2 0 342.405 3.467 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000152481280 455125140 /nfs/dbraw/zinc/12/51/40/455125140.db2.gz DOAILKOSDVHMHN-GDBMZVCRSA-N 2 0 342.462 3.455 20 0 EGADRP CN(Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@H]1CCC[N@H+](C)C1 ZINC000152493294 455126942 /nfs/dbraw/zinc/12/69/42/455126942.db2.gz RULXFHLHXGHUHZ-LBPRGKRZSA-N 2 0 341.286 3.415 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000156646361 455141468 /nfs/dbraw/zinc/14/14/68/455141468.db2.gz YXFOXFIKUODBDI-OVQGTLEDSA-N 2 0 345.531 3.150 20 0 EGADRP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000623657018 460664925 /nfs/dbraw/zinc/66/49/25/460664925.db2.gz HZAHFEGZSAIPOI-OAHLLOKOSA-N 2 0 330.451 3.048 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000623657235 460665098 /nfs/dbraw/zinc/66/50/98/460665098.db2.gz LUWAGGQQJICRSE-QGZVFWFLSA-N 2 0 326.488 3.217 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000623657724 460665492 /nfs/dbraw/zinc/66/54/92/460665492.db2.gz XOXZJJSOKSSCCV-KRWDZBQOSA-N 2 0 326.488 3.217 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCCCCC[NH3+] ZINC000237683366 455207472 /nfs/dbraw/zinc/20/74/72/455207472.db2.gz UXWBIDRIYCKXDV-ROUUACIJSA-N 2 0 345.531 3.168 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@H](C)C2 ZINC000181034944 455279222 /nfs/dbraw/zinc/27/92/22/455279222.db2.gz RUCXXFZTSVXHMT-IIBYNOLFSA-N 2 0 339.483 3.354 20 0 EGADRP CCCCCNC(=O)[C@@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245433930 455297683 /nfs/dbraw/zinc/29/76/83/455297683.db2.gz CADRQPMDGBSVMW-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000183494690 455299928 /nfs/dbraw/zinc/29/99/28/455299928.db2.gz JCUWXVXTGWTEJN-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000265275204 455303119 /nfs/dbraw/zinc/30/31/19/455303119.db2.gz HHXNSLGQXURMKG-IBGZPJMESA-N 2 0 345.531 3.332 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000245511712 455318893 /nfs/dbraw/zinc/31/88/93/455318893.db2.gz ZCFREHLRPSYVGJ-POAQFYNOSA-N 2 0 329.532 3.407 20 0 EGADRP Cc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000265493786 455334762 /nfs/dbraw/zinc/33/47/62/455334762.db2.gz LEXLDORPZIYNQU-MRXNPFEDSA-N 2 0 325.456 3.456 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000245835894 455382727 /nfs/dbraw/zinc/38/27/27/455382727.db2.gz AOYLCNKVDJCYOM-RXVVDRJESA-N 2 0 338.499 3.111 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2)n1 ZINC000246298379 455466074 /nfs/dbraw/zinc/46/60/74/455466074.db2.gz CXLRCLWGGHUCPZ-IIDMSEBBSA-N 2 0 342.487 3.160 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246879853 455533893 /nfs/dbraw/zinc/53/38/93/455533893.db2.gz GPGNCJDJTFEZJF-IXDOHACOSA-N 2 0 339.524 3.001 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247114782 455561677 /nfs/dbraw/zinc/56/16/77/455561677.db2.gz QVPLYYKFLLZEFS-LVCYWYKZSA-N 2 0 347.547 3.226 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000182730761 455577383 /nfs/dbraw/zinc/57/73/83/455577383.db2.gz YCAJSZWMJMOFFS-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000182751295 455581308 /nfs/dbraw/zinc/58/13/08/455581308.db2.gz KPXIQPWSDKCGCG-KRWDZBQOSA-N 2 0 325.541 3.076 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1sccc1C[NH+](C)C ZINC000268091731 455590800 /nfs/dbraw/zinc/59/08/00/455590800.db2.gz IYFBMDHASTUJAG-HNNXBMFYSA-N 2 0 337.533 3.194 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2C(F)(F)F)CCCO1 ZINC000277648361 455623196 /nfs/dbraw/zinc/62/31/96/455623196.db2.gz DMKITMCPLOYSMV-CQSZACIVSA-N 2 0 330.394 3.296 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCC2 ZINC000271450937 455641000 /nfs/dbraw/zinc/64/10/00/455641000.db2.gz DPFPFTWBTIFHGP-NJDAHSKKSA-N 2 0 328.500 3.340 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000185878012 455641227 /nfs/dbraw/zinc/64/12/27/455641227.db2.gz WQEZVGLTQQNWTJ-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP CCCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247937448 455657624 /nfs/dbraw/zinc/65/76/24/455657624.db2.gz CPTCKJCUPFOURV-QFBILLFUSA-N 2 0 331.504 3.052 20 0 EGADRP CCCC[C@@H](CC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247942510 455657686 /nfs/dbraw/zinc/65/76/86/455657686.db2.gz DDBVYIOECOXSGF-WOJBJXKFSA-N 2 0 345.531 3.442 20 0 EGADRP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000192697174 455670603 /nfs/dbraw/zinc/67/06/03/455670603.db2.gz MTEBYQVTCAVVEU-MRXNPFEDSA-N 2 0 332.492 3.140 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186106382 455694689 /nfs/dbraw/zinc/69/46/89/455694689.db2.gz ZGIDUXHASDCUNY-FQEVSTJZSA-N 2 0 329.532 3.298 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284501654 455696792 /nfs/dbraw/zinc/69/67/92/455696792.db2.gz VRSINQVCGDKKLA-XMSQKQJNSA-N 2 0 343.559 3.179 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268892353 455720129 /nfs/dbraw/zinc/72/01/29/455720129.db2.gz PGTBBJVXYGKSSV-RBUKOAKNSA-N 2 0 345.531 3.294 20 0 EGADRP COCCC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000268896028 455722407 /nfs/dbraw/zinc/72/24/07/455722407.db2.gz ABHNYBCVNNWAFG-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP CCC[NH+]1CCC(N(C)Cc2ccnc(Br)c2)CC1 ZINC000292661556 455724964 /nfs/dbraw/zinc/72/49/64/455724964.db2.gz ALYOMOKSEWMGEI-UHFFFAOYSA-N 2 0 326.282 3.150 20 0 EGADRP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000268928264 455733341 /nfs/dbraw/zinc/73/33/41/455733341.db2.gz WOTUPHMNEVRCJO-HNNXBMFYSA-N 2 0 336.476 3.009 20 0 EGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268950319 455741907 /nfs/dbraw/zinc/74/19/07/455741907.db2.gz CETOHNVMRGRDGO-CQSZACIVSA-N 2 0 345.512 3.226 20 0 EGADRP COc1ccncc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292779734 455755070 /nfs/dbraw/zinc/75/50/70/455755070.db2.gz TZMVWJOVBYLCJG-QFBILLFUSA-N 2 0 325.456 3.233 20 0 EGADRP COC(=O)c1cc([C@@H](C)N2CCC[C@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778888 455755404 /nfs/dbraw/zinc/75/54/04/455755404.db2.gz YYIVBUPLQACKAE-ZBFHGGJFSA-N 2 0 334.460 3.386 20 0 EGADRP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C2CC2)cc1 ZINC000271791329 455761756 /nfs/dbraw/zinc/76/17/56/455761756.db2.gz WPCUQJMIXNOHJA-ACRUOGEOSA-N 2 0 328.500 3.414 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000269059290 455779016 /nfs/dbraw/zinc/77/90/16/455779016.db2.gz XGSZGVJRUHKPPU-MRXNPFEDSA-N 2 0 341.499 3.481 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc1 ZINC000271854312 455787570 /nfs/dbraw/zinc/78/75/70/455787570.db2.gz XAYYNJCDCWTGPO-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP COCCSCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278311716 455813290 /nfs/dbraw/zinc/81/32/90/455813290.db2.gz BKHOIBUWGAJXAS-IBGZPJMESA-N 2 0 336.545 3.210 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1F ZINC000278351547 455826577 /nfs/dbraw/zinc/82/65/77/455826577.db2.gz HWRWZFKEFLFMSI-UHFFFAOYSA-N 2 0 346.446 3.455 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186878455 455846744 /nfs/dbraw/zinc/84/67/44/455846744.db2.gz MBSZCRXELZAQRL-NRFANRHFSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)C(C)C)N1CC[NH+](C)CC1 ZINC000186981736 455859350 /nfs/dbraw/zinc/85/93/50/455859350.db2.gz DWVCSESUBKHNPX-SFTDATJTSA-N 2 0 331.548 3.115 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000285574411 455874117 /nfs/dbraw/zinc/87/41/17/455874117.db2.gz IEGUPYDQSWTFIL-IRXDYDNUSA-N 2 0 329.492 3.428 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272227427 455883552 /nfs/dbraw/zinc/88/35/52/455883552.db2.gz QURHTCMMOHHZEH-VCOUNFBDSA-N 2 0 338.495 3.394 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744845 455907855 /nfs/dbraw/zinc/90/78/55/455907855.db2.gz YJDHPMPJUXZBRN-RTWAWAEBSA-N 2 0 327.516 3.069 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000296365929 455919509 /nfs/dbraw/zinc/91/95/09/455919509.db2.gz IZTUJEVZTKWXLK-KBOHQZAKSA-N 2 0 342.483 3.383 20 0 EGADRP COc1ccc(C[N@H+](CC2CCC2)C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000261650370 455921335 /nfs/dbraw/zinc/92/13/35/455921335.db2.gz BAGNXZMRQXGLHC-KRWDZBQOSA-N 2 0 332.488 3.306 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261700444 455930848 /nfs/dbraw/zinc/93/08/48/455930848.db2.gz LMCJAUOQVPCZJK-FCHUYYIVSA-N 2 0 346.478 3.416 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272380760 455932393 /nfs/dbraw/zinc/93/23/93/455932393.db2.gz WHGODXSAIBMDMA-ILZDJORESA-N 2 0 338.499 3.298 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261710796 455932745 /nfs/dbraw/zinc/93/27/45/455932745.db2.gz KXZSDTZYUSUINI-OCCSQVGLSA-N 2 0 328.403 3.246 20 0 EGADRP [NH3+]C[C@@H]1CN(Cc2cncc(Br)c2)C[C@H]1c1ccccc1 ZINC000261764262 455944063 /nfs/dbraw/zinc/94/40/63/455944063.db2.gz OGTVKNVHIPTWPO-WBVHZDCISA-N 2 0 346.272 3.018 20 0 EGADRP Cc1cccc(CC2(O)CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000280351694 455953090 /nfs/dbraw/zinc/95/30/90/455953090.db2.gz JAGOSPMZENPVDS-FQEVSTJZSA-N 2 0 330.516 3.239 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000272476450 455963955 /nfs/dbraw/zinc/96/39/55/455963955.db2.gz AKEQNYXWOIWWOJ-YSFYHYPLSA-N 2 0 336.479 3.220 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272474793 455964056 /nfs/dbraw/zinc/96/40/56/455964056.db2.gz ABBBCWPHPRBYLM-AWEZNQCLSA-N 2 0 337.895 3.379 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CC[C@](C)(C[NH3+])C1 ZINC000261928245 455973690 /nfs/dbraw/zinc/97/36/90/455973690.db2.gz ZOKIVUCRBSGCDJ-LJQANCHMSA-N 2 0 346.906 3.372 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272511294 455976309 /nfs/dbraw/zinc/97/63/09/455976309.db2.gz GJHKSPZNIVITEO-PCCBWWKXSA-N 3 0 341.543 3.219 20 0 EGADRP FC(F)(F)CC[NH+]1CCC(Nc2c[nH+]ccc2-n2cccn2)CC1 ZINC000272512852 455976421 /nfs/dbraw/zinc/97/64/21/455976421.db2.gz GOCABBRRVFKUIL-UHFFFAOYSA-N 2 0 339.365 3.096 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000272514315 455978414 /nfs/dbraw/zinc/97/84/14/455978414.db2.gz GTAKECQCVSUDDD-AZUAARDMSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000261966536 455978687 /nfs/dbraw/zinc/97/86/87/455978687.db2.gz SVDOEJLVXMIFKS-QFBILLFUSA-N 2 0 341.499 3.247 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270545524 455979930 /nfs/dbraw/zinc/97/99/30/455979930.db2.gz YCYCDGGIJSUNKD-OAHLLOKOSA-N 2 0 346.906 3.390 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000272522235 455980493 /nfs/dbraw/zinc/98/04/93/455980493.db2.gz IAHHBLJXPMIMJL-MRXNPFEDSA-N 2 0 329.488 3.196 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000261985417 455981612 /nfs/dbraw/zinc/98/16/12/455981612.db2.gz JQJGZEPGNAKBPL-AWEZNQCLSA-N 2 0 337.895 3.297 20 0 EGADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261985014 455981762 /nfs/dbraw/zinc/98/17/62/455981762.db2.gz RSZSMNNCZGVXQA-KRWDZBQOSA-N 2 0 336.863 3.091 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000262007841 455984654 /nfs/dbraw/zinc/98/46/54/455984654.db2.gz SFEIJXRHTXVDOD-DOTOQJQBSA-N 2 0 349.544 3.122 20 0 EGADRP C[C@H](CO[C@H]1CCOC1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286188338 455996183 /nfs/dbraw/zinc/99/61/83/455996183.db2.gz RDIWCWCRVMYLSC-GHOZHQTGSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000272571076 455997855 /nfs/dbraw/zinc/99/78/55/455997855.db2.gz PBHWSAOXKPGQPL-KRWDZBQOSA-N 3 0 333.520 3.010 20 0 EGADRP COc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1OC(F)F ZINC000272571575 455997984 /nfs/dbraw/zinc/99/79/84/455997984.db2.gz ONVCHPCZLGDOKI-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP Cc1ncsc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280573602 456002640 /nfs/dbraw/zinc/00/26/40/456002640.db2.gz VRGJHTMYEUNKFR-HDICACEKSA-N 2 0 327.497 3.058 20 0 EGADRP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000280621705 456015427 /nfs/dbraw/zinc/01/54/27/456015427.db2.gz LBLGGSPJURJWJY-GOSISDBHSA-N 2 0 336.483 3.423 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000262303062 456022950 /nfs/dbraw/zinc/02/29/50/456022950.db2.gz QUFCQZJSJOAQOL-BPQIPLTHSA-N 2 0 329.488 3.375 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c(C)c1OC ZINC000286334380 456026456 /nfs/dbraw/zinc/02/64/56/456026456.db2.gz YAVIIMPUFRTNRD-QWQRMKEZSA-N 2 0 332.488 3.016 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000188244001 456028965 /nfs/dbraw/zinc/02/89/65/456028965.db2.gz IDSXAFYPMGISHD-XPGWFJOJSA-N 2 0 334.479 3.114 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])C(C)(C)C)CCCC1)c1ccccc1 ZINC000262665386 456051935 /nfs/dbraw/zinc/05/19/35/456051935.db2.gz JHOBSHUHMZONIR-DOTOQJQBSA-N 2 0 331.504 3.140 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(c2nccs2)CC1)Cc1ccccc1 ZINC000272755298 456061646 /nfs/dbraw/zinc/06/16/46/456061646.db2.gz UKBRLYJUEGABBT-UHFFFAOYSA-N 2 0 344.528 3.224 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000263012246 456078680 /nfs/dbraw/zinc/07/86/80/456078680.db2.gz PXQZDUBWLLXYAV-QUCCMNQESA-N 2 0 329.488 3.171 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272880094 456099103 /nfs/dbraw/zinc/09/91/03/456099103.db2.gz XQZZYPRNQXOZEP-SJLPKXTDSA-N 2 0 332.488 3.218 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)CCc3cncn3C)cc2)CC1 ZINC000188649280 456103829 /nfs/dbraw/zinc/10/38/29/456103829.db2.gz CCKXYWGZLNLNQA-UHFFFAOYSA-N 2 0 340.471 3.223 20 0 EGADRP Cn1cc(CCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000281031528 456114573 /nfs/dbraw/zinc/11/45/73/456114573.db2.gz PEVIAFICPQVNJV-UHFFFAOYSA-N 2 0 340.515 3.386 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cscn1 ZINC000271064099 456117093 /nfs/dbraw/zinc/11/70/93/456117093.db2.gz CRNHGYWYYDFPPW-APWZRJJASA-N 2 0 344.528 3.173 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1)C(C)C ZINC000272990484 456136205 /nfs/dbraw/zinc/13/62/05/456136205.db2.gz KPTSRGUSDYTTQT-HXUWFJFHSA-N 2 0 331.504 3.036 20 0 EGADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272988843 456136313 /nfs/dbraw/zinc/13/63/13/456136313.db2.gz PTQZIFHORLDSRJ-KRWDZBQOSA-N 2 0 341.499 3.053 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCN[C@@H](C)c3cscn3)CC2)c1 ZINC000271191171 456162762 /nfs/dbraw/zinc/16/27/62/456162762.db2.gz XRCJXYWKIPZQRD-KRWDZBQOSA-N 2 0 344.528 3.314 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236708596 456173416 /nfs/dbraw/zinc/17/34/16/456173416.db2.gz FKSVUTXXQHVAHH-HXUWFJFHSA-N 2 0 345.531 3.437 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236821652 456189067 /nfs/dbraw/zinc/18/90/67/456189067.db2.gz HFXBCCQTNNXMKB-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000236886150 456198152 /nfs/dbraw/zinc/19/81/52/456198152.db2.gz HFEVAPYSRFJOSZ-IBGZPJMESA-N 2 0 341.455 3.046 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCCCC1 ZINC000236894587 456199677 /nfs/dbraw/zinc/19/96/77/456199677.db2.gz AHFCPSRBMNKKHU-LJQANCHMSA-N 2 0 343.515 3.019 20 0 EGADRP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000236966699 456210133 /nfs/dbraw/zinc/21/01/33/456210133.db2.gz ASTNTJWFOJXBBY-LJQANCHMSA-N 2 0 331.504 3.195 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000273204344 456213130 /nfs/dbraw/zinc/21/31/30/456213130.db2.gz JJKCHQZWPUPTSD-CVEARBPZSA-N 2 0 335.492 3.090 20 0 EGADRP C[NH+](C)CCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237113348 456235206 /nfs/dbraw/zinc/23/52/06/456235206.db2.gz OBJOOCIBYQOFTF-LJQANCHMSA-N 2 0 325.456 3.061 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000333579158 456237497 /nfs/dbraw/zinc/23/74/97/456237497.db2.gz NQAIPUREYCOJRN-CYBMUJFWSA-N 2 0 346.862 3.354 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297560188 456252408 /nfs/dbraw/zinc/25/24/08/456252408.db2.gz QJTAEMYGTJNNNR-IBGZPJMESA-N 2 0 344.459 3.071 20 0 EGADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000189221807 456257483 /nfs/dbraw/zinc/25/74/83/456257483.db2.gz HMLBUPLXGQJSFK-JAXLGGSGSA-N 2 0 342.527 3.488 20 0 EGADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000189221764 456257798 /nfs/dbraw/zinc/25/77/98/456257798.db2.gz HMLBUPLXGQJSFK-ONTIZHBOSA-N 2 0 342.527 3.488 20 0 EGADRP COCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(C)o1 ZINC000297619793 456264784 /nfs/dbraw/zinc/26/47/84/456264784.db2.gz LGRZONFMCFGIID-SFHVURJKSA-N 2 0 329.444 3.319 20 0 EGADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Oc1cccc(F)c1 ZINC000297686993 456275825 /nfs/dbraw/zinc/27/58/25/456275825.db2.gz PPNRKIIQIXKIGY-OAHLLOKOSA-N 2 0 329.419 3.247 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ncc(CN(C)C)s2)C1 ZINC000352767757 456288607 /nfs/dbraw/zinc/28/86/07/456288607.db2.gz CZFVKVLUDVUHAK-IYBDPMFKSA-N 2 0 338.565 3.052 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)[C@H](C)C1 ZINC000352782329 456301610 /nfs/dbraw/zinc/30/16/10/456301610.db2.gz HFWWVZVMNXYTTA-AQEOSJORSA-N 2 0 326.525 3.059 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000347685678 456305700 /nfs/dbraw/zinc/30/57/00/456305700.db2.gz HRTFICPJASGILO-ROUUACIJSA-N 2 0 340.556 3.057 20 0 EGADRP COc1cccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000290423721 456325100 /nfs/dbraw/zinc/32/51/00/456325100.db2.gz UWBXLOXNQVYWLB-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440839 456328490 /nfs/dbraw/zinc/32/84/90/456328490.db2.gz LVFKNWDYKGFRCI-FUHWJXTLSA-N 2 0 330.472 3.248 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000275943620 456355775 /nfs/dbraw/zinc/35/57/75/456355775.db2.gz ZLEZJDVUILJZMB-KJJMTIBFSA-N 2 0 342.527 3.464 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000343044321 456368952 /nfs/dbraw/zinc/36/89/52/456368952.db2.gz HSQYLCXPLUVROM-FGTMMUONSA-N 2 0 337.552 3.218 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc2C1 ZINC000340476486 456483349 /nfs/dbraw/zinc/48/33/49/456483349.db2.gz QRTCUMCDJKCVHI-OAQYLSRUSA-N 2 0 343.515 3.336 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000353044543 456459433 /nfs/dbraw/zinc/45/94/33/456459433.db2.gz FXGFABHAFOUMHD-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(-n2ccnn2)c1 ZINC000348085806 456467912 /nfs/dbraw/zinc/46/79/12/456467912.db2.gz NIJUFRIJYNWSRL-KRWDZBQOSA-N 2 0 327.476 3.040 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340455059 456469106 /nfs/dbraw/zinc/46/91/06/456469106.db2.gz QSADBAQOOGGQFX-USXIJHARSA-N 2 0 328.435 3.289 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479813 456484515 /nfs/dbraw/zinc/48/45/15/456484515.db2.gz NGDOKOUFRXFLIU-CTNGQTDRSA-N 2 0 344.547 3.148 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282339298 456482577 /nfs/dbraw/zinc/48/25/77/456482577.db2.gz VTYUSQMUOJPWLD-OAHLLOKOSA-N 2 0 332.517 3.359 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187926 456524129 /nfs/dbraw/zinc/52/41/29/456524129.db2.gz QJUKWVSUVJPKRZ-VXKWHMMOSA-N 2 0 341.543 3.459 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000282493736 456531941 /nfs/dbraw/zinc/53/19/41/456531941.db2.gz WDIPMOJUTCOWNU-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP CSC1(C[NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000353230779 456574980 /nfs/dbraw/zinc/57/49/80/456574980.db2.gz STACLHZPJRXCAR-PKOBYXMFSA-N 2 0 347.572 3.066 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000310057968 456579778 /nfs/dbraw/zinc/57/97/78/456579778.db2.gz YTOQQOQVMNHWTE-CVEARBPZSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000310868249 456586417 /nfs/dbraw/zinc/58/64/17/456586417.db2.gz YNECAMIORQELIC-MAUKXSAKSA-N 2 0 347.503 3.284 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299182479 456629318 /nfs/dbraw/zinc/62/93/18/456629318.db2.gz ZJEKBAWGHMUADD-IAGOWNOFSA-N 2 0 329.488 3.258 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]C2CC(c3ccccc3Cl)C2)CC1(C)C ZINC000353327643 456641063 /nfs/dbraw/zinc/64/10/63/456641063.db2.gz DUQXICWHQFQSFY-UHFFFAOYSA-N 2 0 335.923 3.202 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000337993694 456643631 /nfs/dbraw/zinc/64/36/31/456643631.db2.gz SPCOEKDYQBREOT-LEWJYISDSA-N 2 0 347.522 3.442 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000348376161 456655050 /nfs/dbraw/zinc/65/50/50/456655050.db2.gz JPEGODQGTFPDLT-PKOBYXMFSA-N 2 0 343.519 3.267 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338106965 456663026 /nfs/dbraw/zinc/66/30/26/456663026.db2.gz ZFUPCMPANSJLLF-AZUAARDMSA-N 2 0 341.499 3.028 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000338112306 456664555 /nfs/dbraw/zinc/66/45/55/456664555.db2.gz LBBCFWCLYVOYOY-KURKYZTESA-N 2 0 345.531 3.406 20 0 EGADRP Fc1ccc(-c2cnc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)o2)cc1 ZINC000324977357 456677252 /nfs/dbraw/zinc/67/72/52/456677252.db2.gz PZCDIUODHAUHPF-QGZVFWFLSA-N 2 0 329.419 3.445 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277166777 456704770 /nfs/dbraw/zinc/70/47/70/456704770.db2.gz KNYSZYJIOAZSGE-GJZGRUSLSA-N 2 0 337.895 3.392 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000343570405 456713598 /nfs/dbraw/zinc/71/35/98/456713598.db2.gz MSCLOAZYLRDOIQ-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000343581303 456721632 /nfs/dbraw/zinc/72/16/32/456721632.db2.gz XFNIDMHQIRRJJI-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)n1 ZINC000277254942 456747381 /nfs/dbraw/zinc/74/73/81/456747381.db2.gz QNYBHEWVYBIOED-IBGZPJMESA-N 2 0 326.488 3.405 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553604 456755021 /nfs/dbraw/zinc/75/50/21/456755021.db2.gz SNZIFYYAHYOHDU-OALUTQOASA-N 2 0 344.499 3.363 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000344109570 456797987 /nfs/dbraw/zinc/79/79/87/456797987.db2.gz DWZWCMAFKLMMAT-MGPUTAFESA-N 2 0 332.463 3.294 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338434584 456817688 /nfs/dbraw/zinc/81/76/88/456817688.db2.gz JDAMESZXMZHONQ-KRWDZBQOSA-N 2 0 326.488 3.217 20 0 EGADRP Cc1cnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000353643368 456824117 /nfs/dbraw/zinc/82/41/17/456824117.db2.gz KKUYUWSAWSVUFP-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338627101 456845993 /nfs/dbraw/zinc/84/59/93/456845993.db2.gz LRYMQASHWOLGEQ-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169503 456875625 /nfs/dbraw/zinc/87/56/25/456875625.db2.gz OAQIEXWNVPZLBX-KURKYZTESA-N 2 0 345.531 3.407 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000353758157 456894241 /nfs/dbraw/zinc/89/42/41/456894241.db2.gz WAQUZXJYOUGYBX-QFBILLFUSA-N 2 0 331.504 3.273 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000345016325 456897845 /nfs/dbraw/zinc/89/78/45/456897845.db2.gz JIAKYKYKNDUKRX-GGPKGHCWSA-N 2 0 343.515 3.121 20 0 EGADRP CCCN(CC(=O)OC(C)(C)C)Cc1ccc(-n2ccnc2)cc1 ZINC000349246308 456922759 /nfs/dbraw/zinc/92/27/59/456922759.db2.gz SLLOHCFXEOUVHJ-UHFFFAOYSA-N 2 0 329.444 3.426 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000353933576 456970735 /nfs/dbraw/zinc/97/07/35/456970735.db2.gz QACOABUBHTUKMU-WDSOQIARSA-N 2 0 332.488 3.076 20 0 EGADRP CCc1nocc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339194615 456986355 /nfs/dbraw/zinc/98/63/55/456986355.db2.gz GLBWGLMWOUJJFA-IYBDPMFKSA-N 2 0 343.471 3.136 20 0 EGADRP CC[C@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@H+](C)Cc1ccccc1 ZINC000339288040 457043569 /nfs/dbraw/zinc/04/35/69/457043569.db2.gz UECFHCGRYLMFNP-HXUWFJFHSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129445 457082978 /nfs/dbraw/zinc/08/29/78/457082978.db2.gz CYGXQMNQAWUUGF-JTDSTZFVSA-N 2 0 325.456 3.348 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+](C)C(C)C)cc1 ZINC000356747766 457148097 /nfs/dbraw/zinc/14/80/97/457148097.db2.gz UJRJQTTTWXIMBS-QGZVFWFLSA-N 2 0 333.520 3.377 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2)n1 ZINC000359928253 457152194 /nfs/dbraw/zinc/15/21/94/457152194.db2.gz ZZVQGVMNWAOCBT-APWZRJJASA-N 2 0 326.488 3.104 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)n1 ZINC000359928256 457153160 /nfs/dbraw/zinc/15/31/60/457153160.db2.gz ZZVQGVMNWAOCBT-VQIMIIECSA-N 2 0 326.488 3.104 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000356759001 457154094 /nfs/dbraw/zinc/15/40/94/457154094.db2.gz NCJMVGBJTYWQMB-IEBWSBKVSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C[C@H](C)O1 ZINC000362922834 457157313 /nfs/dbraw/zinc/15/73/13/457157313.db2.gz GRURERGKWMQZLC-GASCZTMLSA-N 2 0 333.451 3.286 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000359970056 457177462 /nfs/dbraw/zinc/17/74/62/457177462.db2.gz KFIWMZCPJFJUKL-QZTJIDSGSA-N 2 0 346.515 3.345 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000354382108 457189626 /nfs/dbraw/zinc/18/96/26/457189626.db2.gz CNSIKYZTPBMERM-QUCCMNQESA-N 2 0 345.531 3.276 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C)o1 ZINC000356878338 457193100 /nfs/dbraw/zinc/19/31/00/457193100.db2.gz SRRPTAHGTJLCMY-QKNQBKEWSA-N 2 0 339.483 3.334 20 0 EGADRP CCOCc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OC ZINC000347051863 457205028 /nfs/dbraw/zinc/20/50/28/457205028.db2.gz RPWUFMPBVXLKBC-IBGZPJMESA-N 2 0 332.488 3.196 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000356906517 457211031 /nfs/dbraw/zinc/21/10/31/457211031.db2.gz VZRGXIFKDKKBEO-MHTWAQMVSA-N 2 0 342.527 3.284 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000347158768 457261279 /nfs/dbraw/zinc/26/12/79/457261279.db2.gz FGGPNXNGKUIBJK-OAHLLOKOSA-N 2 0 326.488 3.107 20 0 EGADRP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC(C)C ZINC000357060942 457304466 /nfs/dbraw/zinc/30/44/66/457304466.db2.gz YTJWGDWVNOQNHT-SFHVURJKSA-N 2 0 332.488 3.304 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1)CC1CC1 ZINC000357074157 457308699 /nfs/dbraw/zinc/30/86/99/457308699.db2.gz GCYXGFGHWDDXGD-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)n1 ZINC000357078991 457310175 /nfs/dbraw/zinc/31/01/75/457310175.db2.gz KTUGWCDEALVUFZ-FQEVSTJZSA-N 2 0 338.499 3.311 20 0 EGADRP C[C@@H]1CN(Cc2cccc(CNc3cc[nH+]c4ccccc34)c2)CCO1 ZINC000357183118 457363328 /nfs/dbraw/zinc/36/33/28/457363328.db2.gz CULLLEXULBSZIW-QGZVFWFLSA-N 2 0 347.462 3.490 20 0 EGADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000390809072 457441448 /nfs/dbraw/zinc/44/14/48/457441448.db2.gz PRMZYNFNEJGZJX-JKSUJKDBSA-N 2 0 327.513 3.001 20 0 EGADRP COc1cc(C[N@H+](CCC[NH3+])CC2CCCC2)cc(OC)c1OC ZINC000352540735 457451118 /nfs/dbraw/zinc/45/11/18/457451118.db2.gz OTIBQRZZEZQOPL-UHFFFAOYSA-N 2 0 336.476 3.053 20 0 EGADRP O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000392181175 457457511 /nfs/dbraw/zinc/45/75/11/457457511.db2.gz LLJGCDPVLZNIBQ-GOSISDBHSA-N 2 0 343.515 3.069 20 0 EGADRP C[C@@](O)(C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000393886139 457468252 /nfs/dbraw/zinc/46/82/52/457468252.db2.gz RXDTVSVVZPHQSA-DLBZAZTESA-N 2 0 344.421 3.192 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000397287895 457485625 /nfs/dbraw/zinc/48/56/25/457485625.db2.gz VKYXCQFGGCRDRD-YDHLFZDLSA-N 2 0 342.430 3.492 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347533161 457490634 /nfs/dbraw/zinc/49/06/34/457490634.db2.gz OWFPKFKBDVJANM-MRXNPFEDSA-N 2 0 349.478 3.245 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347533158 457490966 /nfs/dbraw/zinc/49/09/66/457490966.db2.gz OWFPKFKBDVJANM-INIZCTEOSA-N 2 0 349.478 3.245 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342742366 457493576 /nfs/dbraw/zinc/49/35/76/457493576.db2.gz XGDMWDCZFHCQMH-GUDVDZBRSA-N 2 0 334.504 3.179 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000347537744 457494061 /nfs/dbraw/zinc/49/40/61/457494061.db2.gz RIAPRUZMULWRNA-OAHLLOKOSA-N 2 0 337.467 3.149 20 0 EGADRP CSC1(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000356163952 457498464 /nfs/dbraw/zinc/49/84/64/457498464.db2.gz LBHOPRUQSANVJG-UHFFFAOYSA-N 2 0 347.572 3.464 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352668904 457515277 /nfs/dbraw/zinc/51/52/77/457515277.db2.gz VTNYERLDOATSRL-UHFFFAOYSA-N 2 0 336.907 3.411 20 0 EGADRP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000401067306 457522894 /nfs/dbraw/zinc/52/28/94/457522894.db2.gz JACMRMPCWYSELX-SLFFLAALSA-N 2 0 327.516 3.019 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCc3ccsc3)CC2)CC1 ZINC000361084295 457572314 /nfs/dbraw/zinc/57/23/14/457572314.db2.gz AZFMHKBYSHMJJU-UHFFFAOYSA-N 2 0 335.561 3.171 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccsc2S1 ZINC000361183374 457633896 /nfs/dbraw/zinc/63/38/96/457633896.db2.gz UESBWAFWPHIYEU-GDBMZVCRSA-N 2 0 339.574 3.291 20 0 EGADRP C(NC1CC[NH+](C2CCCCC2)CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000361182552 457634647 /nfs/dbraw/zinc/63/46/47/457634647.db2.gz CWVSUPAHCWNQED-UHFFFAOYSA-N 2 0 349.563 3.018 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCCc4ccccc43)C2)CC1 ZINC000370632840 457687365 /nfs/dbraw/zinc/68/73/65/457687365.db2.gz DGIBWXSECGRQEI-WIYYLYMNSA-N 2 0 327.516 3.212 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671385 457697015 /nfs/dbraw/zinc/69/70/15/457697015.db2.gz QSSVAPSOEYUCAY-LEWJYISDSA-N 2 0 345.506 3.049 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000370683322 457699782 /nfs/dbraw/zinc/69/97/82/457699782.db2.gz JGHLCCMPIWMIRQ-ONTIZHBOSA-N 2 0 341.543 3.255 20 0 EGADRP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000357820736 457701584 /nfs/dbraw/zinc/70/15/84/457701584.db2.gz FBRITYFXNFBIOR-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000361350580 457702363 /nfs/dbraw/zinc/70/23/63/457702363.db2.gz HHEDYLPXSOOYKH-HXUWFJFHSA-N 2 0 342.487 3.136 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]CCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000357872865 457719999 /nfs/dbraw/zinc/71/99/99/457719999.db2.gz JPXQJHIISFTHSS-UHFFFAOYSA-N 2 0 345.409 3.332 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000357882368 457722206 /nfs/dbraw/zinc/72/22/06/457722206.db2.gz XLKVBQJERFROGI-YLJYHZDGSA-N 2 0 345.531 3.223 20 0 EGADRP CN1CC[NH+](CC2(C)CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000374929617 457736036 /nfs/dbraw/zinc/73/60/36/457736036.db2.gz PTSJLMABEIQAEO-UHFFFAOYSA-N 2 0 338.499 3.089 20 0 EGADRP COC(=O)c1ccc(Cl)c(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000358039244 457747127 /nfs/dbraw/zinc/74/71/27/457747127.db2.gz URYDCCCLPVQRAB-MRXNPFEDSA-N 2 0 346.814 3.175 20 0 EGADRP CSc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000433117845 457761612 /nfs/dbraw/zinc/76/16/12/457761612.db2.gz PUHXPNKUVUSBRD-UHFFFAOYSA-N 2 0 341.908 3.204 20 0 EGADRP C[C@H](c1ccccc1Cl)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433170319 457769240 /nfs/dbraw/zinc/76/92/40/457769240.db2.gz VWLLMGUEILUJNR-CQSZACIVSA-N 2 0 337.895 3.063 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000365805273 457777590 /nfs/dbraw/zinc/77/75/90/457777590.db2.gz JNNMQLNBWQEKQQ-UWJYYQICSA-N 3 0 333.564 3.494 20 0 EGADRP CC(C)CSCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000443589813 457783956 /nfs/dbraw/zinc/78/39/56/457783956.db2.gz HLEIMKLOHPISRW-UHFFFAOYSA-N 2 0 341.609 3.256 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[NH+](C)C)cc1 ZINC000433306199 457805602 /nfs/dbraw/zinc/80/56/02/457805602.db2.gz RMMSISTTWPSYHQ-HXUWFJFHSA-N 2 0 339.483 3.089 20 0 EGADRP CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411212581 457831617 /nfs/dbraw/zinc/83/16/17/457831617.db2.gz KWRQTZUYXDQOPU-UHFFFAOYSA-N 2 0 326.488 3.428 20 0 EGADRP C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411295526 457851473 /nfs/dbraw/zinc/85/14/73/457851473.db2.gz QJPCKVFHANVVKV-SEPYTNNBSA-N 2 0 334.529 3.014 20 0 EGADRP COc1ccc(Cl)cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371300336 457855347 /nfs/dbraw/zinc/85/53/47/457855347.db2.gz OKXQFQHIIQWUJE-JFIYKMOQSA-N 2 0 338.879 3.032 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000411342254 457861478 /nfs/dbraw/zinc/86/14/78/457861478.db2.gz RSRLYZNQXQTZKQ-HXUWFJFHSA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)[NH+](CCC[NH2+]C1CCN(Cc2ccccn2)CC1)C(C)C ZINC000361806233 457873289 /nfs/dbraw/zinc/87/32/89/457873289.db2.gz GBUZSGYUHKJONW-UHFFFAOYSA-N 2 0 332.536 3.145 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000411492169 457902368 /nfs/dbraw/zinc/90/23/68/457902368.db2.gz WHMMGKAEEOMLAS-HXUWFJFHSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCO[C@@H]1CCCCO1 ZINC000366982853 457917143 /nfs/dbraw/zinc/91/71/43/457917143.db2.gz PKRKDYIQEWRVIW-HMXCVIKNSA-N 2 0 346.515 3.420 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C/C=C\C[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000444633879 457923865 /nfs/dbraw/zinc/92/38/65/457923865.db2.gz FLPPOOGRAYGVRU-YQYKAEFUSA-N 2 0 338.536 3.414 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C ZINC000411620660 457930232 /nfs/dbraw/zinc/93/02/32/457930232.db2.gz QGGRHRKEXJCFEY-APWZRJJASA-N 2 0 330.472 3.056 20 0 EGADRP Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)ccc1C[NH+](C)C ZINC000458269127 457995557 /nfs/dbraw/zinc/99/55/57/457995557.db2.gz HCHHZDAOAZRBRF-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000375738536 458044102 /nfs/dbraw/zinc/04/41/02/458044102.db2.gz PCHQHCQWYRBSID-SLFFLAALSA-N 2 0 338.499 3.119 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CCC2)c1 ZINC000428038994 458071170 /nfs/dbraw/zinc/07/11/70/458071170.db2.gz BFWWJMMDGMRBQB-UYAOXDASSA-N 2 0 344.499 3.066 20 0 EGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1F ZINC000435378650 458127800 /nfs/dbraw/zinc/12/78/00/458127800.db2.gz FOJYUAUALGFQHS-HNNXBMFYSA-N 2 0 334.479 3.477 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000369216482 458128110 /nfs/dbraw/zinc/12/81/10/458128110.db2.gz VQLJLCHTRGORBZ-SFTDATJTSA-N 2 0 329.532 3.328 20 0 EGADRP COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC[NH2+]CC2)c1 ZINC000435378334 458128853 /nfs/dbraw/zinc/12/88/53/458128853.db2.gz DAOSSZMWVCFDRH-UHFFFAOYSA-N 2 0 342.487 3.109 20 0 EGADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435398248 458137592 /nfs/dbraw/zinc/13/75/92/458137592.db2.gz NOZGUYSTOOBKMI-QGZVFWFLSA-N 2 0 347.466 3.105 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1)C1CC1 ZINC000428483551 458156174 /nfs/dbraw/zinc/15/61/74/458156174.db2.gz NJDCTFWDDNPWFX-UHFFFAOYSA-N 2 0 329.488 3.062 20 0 EGADRP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000458762218 458163052 /nfs/dbraw/zinc/16/30/52/458163052.db2.gz HYFNDMHPHARKNN-WMZOPIPTSA-N 2 0 348.535 3.097 20 0 EGADRP CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435628402 458175950 /nfs/dbraw/zinc/17/59/50/458175950.db2.gz QPFWRPFHDZGSLF-GFCCVEGCSA-N 2 0 344.286 3.396 20 0 EGADRP Cc1ncsc1CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435629343 458176855 /nfs/dbraw/zinc/17/68/55/458176855.db2.gz UFYONZAXWMWADT-KRWDZBQOSA-N 2 0 330.501 3.033 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)Nc1ccccc1CC[NH+](C)C)C(C)C ZINC000446581421 458201333 /nfs/dbraw/zinc/20/13/33/458201333.db2.gz HTZOWNBWIYVFIG-UHFFFAOYSA-N 2 0 348.535 3.373 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]C[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000372131191 458204073 /nfs/dbraw/zinc/20/40/73/458204073.db2.gz DMXNWXQGWSEKJV-KURKYZTESA-N 2 0 332.488 3.032 20 0 EGADRP C[N@H+](CCCO[C@H]1CCCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000358828788 458243962 /nfs/dbraw/zinc/24/39/62/458243962.db2.gz LIOKMSQJMLNQLX-SFTDATJTSA-N 2 0 346.515 3.374 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000429147696 458281827 /nfs/dbraw/zinc/28/18/27/458281827.db2.gz CCCYOYSPPBKKCF-QFBILLFUSA-N 2 0 331.504 3.118 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436315122 458286975 /nfs/dbraw/zinc/28/69/75/458286975.db2.gz OXRJLEKKFXUOEY-WIYYLYMNSA-N 2 0 341.499 3.043 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459323033 458329854 /nfs/dbraw/zinc/32/98/54/458329854.db2.gz JBJKLWIKOXMRPY-CALCHBBNSA-N 2 0 343.506 3.302 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000459350407 458340060 /nfs/dbraw/zinc/34/00/60/458340060.db2.gz YRBZQMWZQFFNPI-LAUBAEHRSA-N 2 0 327.516 3.022 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1SC ZINC000459429586 458368993 /nfs/dbraw/zinc/36/89/93/458368993.db2.gz PNMMQGLLNWSTEG-KURKYZTESA-N 2 0 326.550 3.282 20 0 EGADRP c1cnn([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459441613 458372517 /nfs/dbraw/zinc/37/25/17/458372517.db2.gz OQVSMARQJBCOCF-RBUKOAKNSA-N 2 0 325.460 3.020 20 0 EGADRP CC(C)CN1CCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459447413 458375368 /nfs/dbraw/zinc/37/53/68/458375368.db2.gz JPHROMMFRYJNEW-HXUWFJFHSA-N 2 0 330.520 3.151 20 0 EGADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000448024324 458380424 /nfs/dbraw/zinc/38/04/24/458380424.db2.gz XQWDDTKODDTUMS-QAPCUYQASA-N 2 0 347.503 3.122 20 0 EGADRP CC1CCC(O)(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000448124391 458391732 /nfs/dbraw/zinc/39/17/32/458391732.db2.gz XNQAWWDZXNBHND-VEDCXYSMSA-N 2 0 330.516 3.382 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2occc2C)CC1 ZINC000430149210 458412327 /nfs/dbraw/zinc/41/23/27/458412327.db2.gz VIMUPRCRIICXCL-UHFFFAOYSA-N 2 0 327.472 3.362 20 0 EGADRP CC(C)C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CCO1 ZINC000373202032 458427583 /nfs/dbraw/zinc/42/75/83/458427583.db2.gz MVSICXTUAOCOFF-WOJBJXKFSA-N 2 0 331.504 3.229 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423429017 458431090 /nfs/dbraw/zinc/43/10/90/458431090.db2.gz JVMFNEJZTISAJW-NEPJUHHUSA-N 2 0 346.256 3.459 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423430498 458431571 /nfs/dbraw/zinc/43/15/71/458431571.db2.gz KXNALCUZJZWUPK-OXQOHEQNSA-N 2 0 327.472 3.481 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000437185996 458433194 /nfs/dbraw/zinc/43/31/94/458433194.db2.gz TXIUHNBAJYWAOX-FQEVSTJZSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423453360 458435241 /nfs/dbraw/zinc/43/52/41/458435241.db2.gz KNCIFAUKDWCSQH-GFOJFJKKSA-N 3 0 329.532 3.394 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1I ZINC000423453816 458435364 /nfs/dbraw/zinc/43/53/64/458435364.db2.gz KWYJSIYHYOJKKD-GHMZBOCLSA-N 2 0 332.229 3.069 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423461754 458436439 /nfs/dbraw/zinc/43/64/39/458436439.db2.gz OHGMNPZVMJKIEP-DAVIRCQPSA-N 2 0 326.484 3.495 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000423495625 458443497 /nfs/dbraw/zinc/44/34/97/458443497.db2.gz CEPRLONVEGGYOB-NRFANRHFSA-N 2 0 338.499 3.116 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423504291 458444421 /nfs/dbraw/zinc/44/44/21/458444421.db2.gz KYBDGFCQCYOHSX-QMCAAQAGSA-N 3 0 341.543 3.394 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000423517109 458448722 /nfs/dbraw/zinc/44/87/22/458448722.db2.gz ULOIRBDTNZTWDT-XDWAVFMPSA-N 3 0 327.516 3.147 20 0 EGADRP CCOC[C@H]1CCCC[N@@H+]1C[C@H](C)C[NH+]1CCCC[C@H]1COCC ZINC000459698385 458449907 /nfs/dbraw/zinc/44/99/07/458449907.db2.gz CBURQVVLMKEKQY-ACDBMABISA-N 2 0 340.552 3.405 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1F ZINC000423551120 458455649 /nfs/dbraw/zinc/45/56/49/458455649.db2.gz TXAAEMCTIAGBQI-IATRGZMQSA-N 2 0 326.843 3.144 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc21 ZINC000423546967 458456262 /nfs/dbraw/zinc/45/62/62/458456262.db2.gz ZTPQVKFLNRVEQZ-RBUKOAKNSA-N 2 0 328.456 3.068 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423551092 458456414 /nfs/dbraw/zinc/45/64/14/458456414.db2.gz TVCNEPSVCYVIOY-HHNWVEJHSA-N 3 0 341.543 3.407 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000459721725 458457371 /nfs/dbraw/zinc/45/73/71/458457371.db2.gz ARHLJVURHWAJLL-UYAOXDASSA-N 2 0 332.488 3.066 20 0 EGADRP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]CC)CC1)c1ccccc1 ZINC000430566173 458461954 /nfs/dbraw/zinc/46/19/54/458461954.db2.gz BSYIQHFQYIQRAP-YLJYHZDGSA-N 2 0 345.531 3.354 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000459741189 458464220 /nfs/dbraw/zinc/46/42/20/458464220.db2.gz VEVHEOPXSYNMNU-IBGZPJMESA-N 2 0 339.483 3.482 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430585453 458466590 /nfs/dbraw/zinc/46/65/90/458466590.db2.gz SKDJNPYLEKBEOK-XQQFMLRXSA-N 2 0 343.393 3.092 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC[C@H](C[NH3+])C1 ZINC000430616738 458471335 /nfs/dbraw/zinc/47/13/35/458471335.db2.gz HINNWCSEANQNNN-GVDBMIGSSA-N 2 0 339.483 3.076 20 0 EGADRP C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620592 458471856 /nfs/dbraw/zinc/47/18/56/458471856.db2.gz CCMJHUZVXOTINY-HOTGVXAUSA-N 2 0 325.456 3.098 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423736022 458477575 /nfs/dbraw/zinc/47/75/75/458477575.db2.gz XZLQBQQDOBEVRJ-OGWHTMIXSA-N 2 0 335.536 3.148 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC000430687199 458480785 /nfs/dbraw/zinc/48/07/85/458480785.db2.gz PRYAIPAUEBTELB-OTWHNJEPSA-N 2 0 331.504 3.012 20 0 EGADRP [NH3+][C@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000423798057 458485312 /nfs/dbraw/zinc/48/53/12/458485312.db2.gz NYAIXLCFLLWWTI-HXUWFJFHSA-N 2 0 343.515 3.191 20 0 EGADRP C[C@H]1C[C@H](CCNC(=O)C2([NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423891728 458507132 /nfs/dbraw/zinc/50/71/32/458507132.db2.gz BRYKANIELGNFDU-HKUYNNGSSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430943721 458508900 /nfs/dbraw/zinc/50/89/00/458508900.db2.gz QBMIKYRGZBFYQU-JXFKEZNVSA-N 2 0 337.467 3.426 20 0 EGADRP C[C@@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430946810 458508924 /nfs/dbraw/zinc/50/89/24/458508924.db2.gz YBZQFUBBOONYRQ-BEFAXECRSA-N 2 0 339.439 3.087 20 0 EGADRP C[NH2+]CC1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000430958149 458509830 /nfs/dbraw/zinc/50/98/30/458509830.db2.gz WNDKQFATHYYBOK-UHFFFAOYSA-N 2 0 343.515 3.284 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423912519 458510907 /nfs/dbraw/zinc/51/09/07/458510907.db2.gz WDWCUNUXCLQBGS-AABGKKOBSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460380178 458514726 /nfs/dbraw/zinc/51/47/26/458514726.db2.gz LWFZIEVIVGNNJQ-GTAWCEEGSA-N 2 0 343.515 3.059 20 0 EGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000423937605 458516202 /nfs/dbraw/zinc/51/62/02/458516202.db2.gz HHFDWYYXBAGCDB-VQTJNVASSA-N 2 0 339.483 3.058 20 0 EGADRP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075719 458524541 /nfs/dbraw/zinc/52/45/41/458524541.db2.gz GLGNORBWJWWIGY-HZPDHXFCSA-N 2 0 328.460 3.422 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431088150 458527478 /nfs/dbraw/zinc/52/74/78/458527478.db2.gz CWKNJNVJKBQFRC-HOTGVXAUSA-N 2 0 328.460 3.340 20 0 EGADRP CC[C@@H]1CN(c2cc(C)c3ccc(C)cc3n2)CC[N@@H+]1C[C@H](C)O ZINC000460943596 458541443 /nfs/dbraw/zinc/54/14/43/458541443.db2.gz MZYQTJCJPBAYMQ-DLBZAZTESA-N 2 0 327.472 3.133 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000438216265 458549798 /nfs/dbraw/zinc/54/97/98/458549798.db2.gz OGPRWQARCILNQV-MRXNPFEDSA-N 2 0 330.447 3.487 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000461223699 458551837 /nfs/dbraw/zinc/55/18/37/458551837.db2.gz RQERUNPQNFQPIQ-JENIJYKNSA-N 2 0 348.535 3.014 20 0 EGADRP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424286075 458603933 /nfs/dbraw/zinc/60/39/33/458603933.db2.gz GWUGIWYFVZYDAF-CQSZACIVSA-N 2 0 335.879 3.051 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424297543 458607974 /nfs/dbraw/zinc/60/79/74/458607974.db2.gz SWPIETBYFGHGPT-INIZCTEOSA-N 2 0 337.467 3.242 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424301961 458609356 /nfs/dbraw/zinc/60/93/56/458609356.db2.gz YMKIBBKEXFLYSM-ZDUSSCGKSA-N 2 0 335.879 3.051 20 0 EGADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424300512 458609495 /nfs/dbraw/zinc/60/94/95/458609495.db2.gz WMLZVIFVDTVOLJ-GFCCVEGCSA-N 2 0 332.398 3.163 20 0 EGADRP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424306927 458610491 /nfs/dbraw/zinc/61/04/91/458610491.db2.gz WKQZMAFMQMPEAQ-FUHWJXTLSA-N 2 0 330.451 3.055 20 0 EGADRP CCCc1csc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000494007405 458615160 /nfs/dbraw/zinc/61/51/60/458615160.db2.gz RANLPVWHFUSYGK-GASCZTMLSA-N 2 0 325.522 3.075 20 0 EGADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1OC ZINC000424368968 458626562 /nfs/dbraw/zinc/62/65/62/458626562.db2.gz AYMTYQIBTDMLIR-ZDUSSCGKSA-N 2 0 338.879 3.321 20 0 EGADRP Cc1nn2c(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)c(C(C)C)nc2s1 ZINC000424382815 458630052 /nfs/dbraw/zinc/63/00/52/458630052.db2.gz SXJSPERSNVRBIC-CYBMUJFWSA-N 2 0 347.532 3.187 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000494658222 458720906 /nfs/dbraw/zinc/72/09/06/458720906.db2.gz GBZXCMRPIOMAOX-GTPINHCMSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530249282 458730023 /nfs/dbraw/zinc/73/00/23/458730023.db2.gz UQELSBRBSJCJSL-HNNXBMFYSA-N 2 0 337.533 3.031 20 0 EGADRP Fc1ccc2oc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000530249054 458730157 /nfs/dbraw/zinc/73/01/57/458730157.db2.gz TUYYJSWPESBQBL-KRWDZBQOSA-N 2 0 332.419 3.162 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464094054 458731737 /nfs/dbraw/zinc/73/17/37/458731737.db2.gz QETHVEAPLPKZSZ-AQNXPRMDSA-N 2 0 330.516 3.251 20 0 EGADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432417296 458736242 /nfs/dbraw/zinc/73/62/42/458736242.db2.gz LLGNGEFSDIPDSO-PZJWPPBQSA-N 2 0 348.531 3.318 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505551 458753090 /nfs/dbraw/zinc/75/30/90/458753090.db2.gz VZWJBEYCKBGRFG-IOMROCGXSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000432837825 458797548 /nfs/dbraw/zinc/79/75/48/458797548.db2.gz WOCVCPZFJVHXDZ-QZTJIDSGSA-N 2 0 338.536 3.014 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495301793 458828885 /nfs/dbraw/zinc/82/88/85/458828885.db2.gz ISCFESUSCHEESY-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000548064677 458832563 /nfs/dbraw/zinc/83/25/63/458832563.db2.gz XNPSTNSVOSSABI-ZWKOTPCHSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474035941 458855772 /nfs/dbraw/zinc/85/57/72/458855772.db2.gz OMKRMZFVQKLBAT-OXJNMPFZSA-N 2 0 345.531 3.033 20 0 EGADRP COc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354062 458859313 /nfs/dbraw/zinc/85/93/13/458859313.db2.gz ZABRWUZJBBUAQQ-DOMZBBRYSA-N 2 0 326.868 3.129 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000576936944 458951248 /nfs/dbraw/zinc/95/12/48/458951248.db2.gz OKHVMLMIJLDRKA-WBVHZDCISA-N 2 0 344.503 3.228 20 0 EGADRP Clc1cccc(Cl)c1OCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519821288 459010916 /nfs/dbraw/zinc/01/09/16/459010916.db2.gz BGPFYKCGEKLLOI-INIZCTEOSA-N 2 0 329.271 3.448 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C[NH+]3CC[C@@H](C)C3)c2C1 ZINC000566983001 459031766 /nfs/dbraw/zinc/03/17/66/459031766.db2.gz TVJQYUZIKNDOCA-MRXNPFEDSA-N 2 0 329.488 3.329 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)CCC[NH3+] ZINC000556952962 459036867 /nfs/dbraw/zinc/03/68/67/459036867.db2.gz CSDDLPOEENEGIL-NWDGAFQWSA-N 2 0 331.382 3.140 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000442806176 459041213 /nfs/dbraw/zinc/04/12/13/459041213.db2.gz BIWNKCBPVBUJKF-FXAWDEMLSA-N 2 0 343.515 3.437 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000532227184 459050924 /nfs/dbraw/zinc/05/09/24/459050924.db2.gz BMYRGVGHJKILTB-UXHICEINSA-N 2 0 336.495 3.075 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442929020 459061337 /nfs/dbraw/zinc/06/13/37/459061337.db2.gz QNDLBHUUMYWARU-IBGZPJMESA-N 2 0 340.515 3.417 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000520563304 459072434 /nfs/dbraw/zinc/07/24/34/459072434.db2.gz XXAPKXLTLDJYDI-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000443064693 459081268 /nfs/dbraw/zinc/08/12/68/459081268.db2.gz YQIMNKGVUATRQY-QGZVFWFLSA-N 2 0 329.513 3.489 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496146386 459086231 /nfs/dbraw/zinc/08/62/31/459086231.db2.gz KSPXMYYRAJGQMK-IAGOWNOFSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc(NC(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000532539700 459107963 /nfs/dbraw/zinc/10/79/63/459107963.db2.gz NDJULOACDRKVEM-UHFFFAOYSA-N 2 0 331.504 3.294 20 0 EGADRP Fc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000567639773 459138697 /nfs/dbraw/zinc/13/86/97/459138697.db2.gz VZLPWLMSCFKWTK-ICSRJNTNSA-N 2 0 344.405 3.353 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000496305823 459144679 /nfs/dbraw/zinc/14/46/79/459144679.db2.gz KETUHBBWZSZECZ-IXDOHACOSA-N 2 0 339.524 3.001 20 0 EGADRP Fc1ccc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)co2)cc1F ZINC000578240062 459168670 /nfs/dbraw/zinc/16/86/70/459168670.db2.gz FZYGXHSNKSRASK-HNNXBMFYSA-N 2 0 347.409 3.441 20 0 EGADRP Cc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(C)c1O ZINC000578368462 459190648 /nfs/dbraw/zinc/19/06/48/459190648.db2.gz RHFWDCTYGIKVRV-HDICACEKSA-N 2 0 346.515 3.330 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CCc2ccccc2C(=O)OC)CC1 ZINC000480529443 459201828 /nfs/dbraw/zinc/20/18/28/459201828.db2.gz QZLXLCOEGRRXRP-UHFFFAOYSA-N 2 0 346.515 3.460 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000480737540 459216685 /nfs/dbraw/zinc/21/66/85/459216685.db2.gz OXDSZSIGPRZMBR-QRVBRYPASA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000496517543 459224658 /nfs/dbraw/zinc/22/46/58/459224658.db2.gz ZHWQBKHBVWLLTB-DOTOQJQBSA-N 2 0 331.460 3.120 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCCCC1 ZINC000481164879 459236383 /nfs/dbraw/zinc/23/63/83/459236383.db2.gz AWBSGPOGXZPPBY-SXLOBPIMSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179823 459237968 /nfs/dbraw/zinc/23/79/68/459237968.db2.gz JPZSYNYVMWCKJB-QRVBRYPASA-N 2 0 347.547 3.398 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000481315815 459245057 /nfs/dbraw/zinc/24/50/57/459245057.db2.gz RRUPPMJKTJJOHC-HNAYVOBHSA-N 2 0 340.458 3.234 20 0 EGADRP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000559842556 459280266 /nfs/dbraw/zinc/28/02/66/459280266.db2.gz JZFQKJPWJYDNLL-BHDDXSALSA-N 2 0 338.495 3.324 20 0 EGADRP Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000582122817 459312885 /nfs/dbraw/zinc/31/28/85/459312885.db2.gz DGQLIMHENSYWBC-CVEARBPZSA-N 2 0 329.419 3.302 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496755616 459313033 /nfs/dbraw/zinc/31/30/33/459313033.db2.gz HGEZAICOLGWQGD-MRXNPFEDSA-N 2 0 341.540 3.390 20 0 EGADRP CC[NH+](CC)CCC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496774165 459318558 /nfs/dbraw/zinc/31/85/58/459318558.db2.gz DMQLJMLXMPGLLT-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000534756371 459350382 /nfs/dbraw/zinc/35/03/82/459350382.db2.gz YATLRUXEKOIOLS-MRXNPFEDSA-N 2 0 347.466 3.084 20 0 EGADRP C[NH+](C)CCCCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000560601852 459378662 /nfs/dbraw/zinc/37/86/62/459378662.db2.gz KFYLQUIQBQCLHF-UHFFFAOYSA-N 2 0 331.504 3.385 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000483829923 459394586 /nfs/dbraw/zinc/39/45/86/459394586.db2.gz BPMMUPWKPYNOHZ-ZENOOKHLSA-N 2 0 341.293 3.146 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)c2C)CC1 ZINC000525121177 459417201 /nfs/dbraw/zinc/41/72/01/459417201.db2.gz XJVPKEFAWYMICL-FQEVSTJZSA-N 2 0 343.515 3.041 20 0 EGADRP CCC(CC)(C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000591657569 459419360 /nfs/dbraw/zinc/41/93/60/459419360.db2.gz CGAITMYUEDBJFP-HNNXBMFYSA-N 2 0 326.525 3.454 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497121156 459449035 /nfs/dbraw/zinc/44/90/35/459449035.db2.gz WJMDGWMZICUPKC-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000569712913 459499472 /nfs/dbraw/zinc/49/94/72/459499472.db2.gz IYNYAYDXTXVWDN-YHUYYLMFSA-N 2 0 349.906 3.343 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000583230841 459505786 /nfs/dbraw/zinc/50/57/86/459505786.db2.gz CPOGUXHKRSYHBI-YADHBBJMSA-N 2 0 335.495 3.468 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000525875150 459509052 /nfs/dbraw/zinc/50/90/52/459509052.db2.gz CSXCHWBPVXJOHM-XLIONFOSSA-N 2 0 333.495 3.030 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000525875151 459509734 /nfs/dbraw/zinc/50/97/34/459509734.db2.gz CSXCHWBPVXJOHM-YLJYHZDGSA-N 2 0 333.495 3.030 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000569795429 459511538 /nfs/dbraw/zinc/51/15/38/459511538.db2.gz TYUDRGIFVTYIDW-IEBWSBKVSA-N 2 0 344.503 3.052 20 0 EGADRP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000569870855 459523759 /nfs/dbraw/zinc/52/37/59/459523759.db2.gz NXKMUPXXQKWFPF-BDTNDASRSA-N 2 0 336.479 3.438 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000569924580 459532505 /nfs/dbraw/zinc/53/25/05/459532505.db2.gz ZMYUTIKRTRAWCZ-LJQANCHMSA-N 2 0 345.531 3.291 20 0 EGADRP CC(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000583740305 459588528 /nfs/dbraw/zinc/58/85/28/459588528.db2.gz FALLACZXOYFNKH-LJQANCHMSA-N 2 0 346.496 3.003 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000527229353 459612105 /nfs/dbraw/zinc/61/21/05/459612105.db2.gz FQXWTDATAIQLIK-UHFFFAOYSA-N 2 0 337.458 3.272 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000500106890 459664860 /nfs/dbraw/zinc/66/48/60/459664860.db2.gz QHPSNVRBZHVKKU-RLLQIKCJSA-N 2 0 345.531 3.180 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000573361357 459665002 /nfs/dbraw/zinc/66/50/02/459665002.db2.gz XQEAVDIPCHXSFB-HXUWFJFHSA-N 2 0 340.515 3.163 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000573435299 459675663 /nfs/dbraw/zinc/67/56/63/459675663.db2.gz LVJMAKNFEIFFFL-OAQYLSRUSA-N 2 0 327.516 3.164 20 0 EGADRP COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2)cc(C(F)(F)F)c1 ZINC000527649002 459684028 /nfs/dbraw/zinc/68/40/28/459684028.db2.gz MHQWBCVXPSSCOQ-LBPRGKRZSA-N 2 0 327.350 3.336 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527654929 459685281 /nfs/dbraw/zinc/68/52/81/459685281.db2.gz XDNBWBFPZWDPCE-UHFFFAOYSA-N 2 0 349.466 3.130 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527686856 459700122 /nfs/dbraw/zinc/70/01/22/459700122.db2.gz YDFVTTSGKGNSJV-UHFFFAOYSA-N 2 0 331.204 3.079 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000500982858 459704507 /nfs/dbraw/zinc/70/45/07/459704507.db2.gz ZIJNFLHTPXGHTP-UHFFFAOYSA-N 2 0 335.923 3.335 20 0 EGADRP CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000584346993 459715819 /nfs/dbraw/zinc/71/58/19/459715819.db2.gz ROXLSGPEVJRCAU-GOSISDBHSA-N 2 0 334.504 3.046 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000563115842 459717833 /nfs/dbraw/zinc/71/78/33/459717833.db2.gz PPPKEHQCHJHSDK-IBGZPJMESA-N 2 0 331.504 3.181 20 0 EGADRP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000584411721 459731576 /nfs/dbraw/zinc/73/15/76/459731576.db2.gz PUXPWCVPGZOYBV-KRWDZBQOSA-N 2 0 337.467 3.353 20 0 EGADRP O[C@@H](C[NH2+]C[C@H](c1ccccc1)N1CCCC1)Cc1ccc(F)cc1 ZINC000573774945 459731798 /nfs/dbraw/zinc/73/17/98/459731798.db2.gz QZBGJHRWNQRPLX-NHCUHLMSSA-N 2 0 342.458 3.156 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000573783384 459734048 /nfs/dbraw/zinc/73/40/48/459734048.db2.gz FJSVRTIZGMCIJF-KRWDZBQOSA-N 2 0 344.503 3.325 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000527873579 459763621 /nfs/dbraw/zinc/76/36/21/459763621.db2.gz PSQJDEJZMBNRQA-HLAWJBBLSA-N 2 0 330.516 3.365 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CCCC2)o1 ZINC000544571139 459768621 /nfs/dbraw/zinc/76/86/21/459768621.db2.gz ZGBJDJKVXGREDQ-FQEVSTJZSA-N 2 0 333.520 3.435 20 0 EGADRP O=C(CC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)Nc1ccccc1 ZINC000566106577 459806216 /nfs/dbraw/zinc/80/62/16/459806216.db2.gz UOJLPMWXDONUJJ-UHFFFAOYSA-N 2 0 337.467 3.401 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC000545308655 459822727 /nfs/dbraw/zinc/82/27/27/459822727.db2.gz UNKCNZZGVGEIMZ-FQEVSTJZSA-N 2 0 345.531 3.369 20 0 EGADRP CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000597149665 459852021 /nfs/dbraw/zinc/85/20/21/459852021.db2.gz GXQVSQWXQVYSDE-OAHLLOKOSA-N 2 0 333.476 3.163 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000575408715 459970649 /nfs/dbraw/zinc/97/06/49/459970649.db2.gz XXUZIIBUIHKQJB-CYBMUJFWSA-N 2 0 327.428 3.029 20 0 EGADRP COc1ccc(C)cc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000588710767 459973722 /nfs/dbraw/zinc/97/37/22/459973722.db2.gz VUWJTVOWQYRCMF-ROUUACIJSA-N 2 0 346.515 3.325 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCOc3ccccc3)CC2)C[C@@H](C)O1 ZINC000588710613 459974568 /nfs/dbraw/zinc/97/45/68/459974568.db2.gz TZJOIEMQKLIORU-RTBURBONSA-N 2 0 346.515 3.277 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000621749966 460047418 /nfs/dbraw/zinc/04/74/18/460047418.db2.gz FYWAJHSEFJUPRH-HXUWFJFHSA-N 2 0 337.467 3.336 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000576254714 460103262 /nfs/dbraw/zinc/10/32/62/460103262.db2.gz VLOKDCPBYPMRRJ-GHTZIAJQSA-N 3 0 329.532 3.361 20 0 EGADRP Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000576388799 460131622 /nfs/dbraw/zinc/13/16/22/460131622.db2.gz KKIBMMUZYSRVSU-NHCUHLMSSA-N 2 0 349.478 3.334 20 0 EGADRP COCCC1CC[NH+](CC[C@H](C)[NH+]2CCC(CCOC)CC2)CC1 ZINC000625630928 460221554 /nfs/dbraw/zinc/22/15/54/460221554.db2.gz YOLSBGZBKWACJU-SFHVURJKSA-N 2 0 340.552 3.262 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000603411266 460300306 /nfs/dbraw/zinc/30/03/06/460300306.db2.gz SDPNSTRSETYXNZ-OAHLLOKOSA-N 2 0 343.475 3.245 20 0 EGADRP CSC[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611274720 460326258 /nfs/dbraw/zinc/32/62/58/460326258.db2.gz MYAJGELXCNKOIW-GOSISDBHSA-N 2 0 334.529 3.489 20 0 EGADRP CC(=O)NCCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000623015092 460383944 /nfs/dbraw/zinc/38/39/44/460383944.db2.gz BXOUCKZSGVLKRS-NRFANRHFSA-N 2 0 345.531 3.041 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000631566799 460445837 /nfs/dbraw/zinc/44/58/37/460445837.db2.gz SCCSSHBIZCMCEH-GOSISDBHSA-N 2 0 342.531 3.106 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631575451 460452206 /nfs/dbraw/zinc/45/22/06/460452206.db2.gz FPCYJYMOFPRIQJ-BURNTYAHSA-N 2 0 340.511 3.446 20 0 EGADRP COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000631575857 460452342 /nfs/dbraw/zinc/45/23/42/460452342.db2.gz HQXOYLFTFVXWIP-HXUWFJFHSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000631584723 460457895 /nfs/dbraw/zinc/45/78/95/460457895.db2.gz HTFLMYZXMBVPPJ-QGZVFWFLSA-N 2 0 342.531 3.105 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000634732406 460498480 /nfs/dbraw/zinc/49/84/80/460498480.db2.gz FVQYWOBLAACQJQ-FQEVSTJZSA-N 2 0 347.522 3.200 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635325317 460745733 /nfs/dbraw/zinc/74/57/33/460745733.db2.gz NIJDXAZFVCJNLD-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc2c1 ZINC000629538014 460799142 /nfs/dbraw/zinc/79/91/42/460799142.db2.gz NNKPHONLRXSHEU-CTNGQTDRSA-N 2 0 339.483 3.262 20 0 EGADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000629543654 460803270 /nfs/dbraw/zinc/80/32/70/460803270.db2.gz COAAPWUMMIAVOE-CQSZACIVSA-N 2 0 327.394 3.312 20 0 EGADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000632893295 460872799 /nfs/dbraw/zinc/87/27/99/460872799.db2.gz SQAZMEHTILTWLF-DOTOQJQBSA-N 2 0 344.503 3.405 20 0 EGADRP C[N@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)C1CCC1 ZINC000629948408 460969151 /nfs/dbraw/zinc/96/91/51/460969151.db2.gz GBLLGIZPDGQOGD-GOSISDBHSA-N 2 0 349.906 3.077 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000629948438 460969420 /nfs/dbraw/zinc/96/94/20/460969420.db2.gz HIVICTKTEFRECF-INIZCTEOSA-N 2 0 329.488 3.341 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000613491304 460969824 /nfs/dbraw/zinc/96/98/24/460969824.db2.gz NLRDXTGNBWAEQE-SFHVURJKSA-N 2 0 332.488 3.270 20 0 EGADRP Cc1ccc([C@H](C)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000628186541 461037097 /nfs/dbraw/zinc/03/70/97/461037097.db2.gz NRAIXJWNNLKEKQ-DYXWJJEUSA-N 2 0 329.532 3.056 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1cc(C)c(Br)cn1 ZINC000628279661 461069956 /nfs/dbraw/zinc/06/99/56/461069956.db2.gz SXUILCDGIOVGKO-UHFFFAOYSA-N 2 0 340.309 3.460 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c2ccccc2n1 ZINC000652349585 461144948 /nfs/dbraw/zinc/14/49/48/461144948.db2.gz UNUJPRBJOCETFV-DJPFJPOOSA-N 2 0 339.483 3.262 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000652350982 461145274 /nfs/dbraw/zinc/14/52/74/461145274.db2.gz BXDLOVXFHGKUAH-UGKGYDQZSA-N 2 0 349.478 3.500 20 0 EGADRP CC[N@H+](Cc1c(C2CC2)cnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161053 461147831 /nfs/dbraw/zinc/14/78/31/461147831.db2.gz PQVMIMJIEHWPRL-UHFFFAOYSA-N 2 0 326.488 3.381 20 0 EGADRP CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362872 461154830 /nfs/dbraw/zinc/15/48/30/461154830.db2.gz RQWGRLOPBKZNOD-QWFCFKBJSA-N 2 0 332.488 3.335 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(CC[NH+](C)C)CC1)CC2 ZINC000637965887 461159566 /nfs/dbraw/zinc/15/95/66/461159566.db2.gz WTNLJBJSPJEWGL-SFHVURJKSA-N 2 0 332.488 3.355 20 0 EGADRP COc1cccc(SCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000662272926 461161372 /nfs/dbraw/zinc/16/13/72/461161372.db2.gz IJAYXMYGEILLFY-IAGOWNOFSA-N 2 0 334.529 3.499 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC[C@H]2CCc3ccccc32)C1 ZINC000662284427 461164613 /nfs/dbraw/zinc/16/46/13/461164613.db2.gz NHCVAVNVQGOQJM-QCFAMHMHSA-N 2 0 328.500 3.467 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293008 461170726 /nfs/dbraw/zinc/17/07/26/461170726.db2.gz QHFBICZPPHMWFK-QFBILLFUSA-N 2 0 343.515 3.288 20 0 EGADRP CCOc1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295017 461171778 /nfs/dbraw/zinc/17/17/78/461171778.db2.gz YEUMTIVRBKGCNY-GOSISDBHSA-N 2 0 332.488 3.176 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)[C@@H]1CCC[NH3+] ZINC000662314391 461186451 /nfs/dbraw/zinc/18/64/51/461186451.db2.gz CMVUFIDTOLTYGA-CZUORRHYSA-N 2 0 332.423 3.215 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC000662339860 461198534 /nfs/dbraw/zinc/19/85/34/461198534.db2.gz FEWUSZIZGIOWTE-OAQYLSRUSA-N 2 0 329.532 3.318 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000662347601 461203759 /nfs/dbraw/zinc/20/37/59/461203759.db2.gz IDJCTJAJXHPBIP-NHCUHLMSSA-N 2 0 349.478 3.174 20 0 EGADRP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000662399310 461231328 /nfs/dbraw/zinc/23/13/28/461231328.db2.gz LOEGZUPHCNWUEZ-UHFFFAOYSA-N 2 0 331.504 3.065 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000659252323 461251032 /nfs/dbraw/zinc/25/10/32/461251032.db2.gz ZHQRVEQYROMFSE-FQEVSTJZSA-N 2 0 341.499 3.134 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000662487289 461266597 /nfs/dbraw/zinc/26/65/97/461266597.db2.gz QFSRBPZIJHDWKM-YOEHRIQHSA-N 2 0 339.911 3.070 20 0 EGADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc2c1C[NH2+]C2 ZINC000662526428 461281567 /nfs/dbraw/zinc/28/15/67/461281567.db2.gz YPKIBNRINMYBRH-NRFANRHFSA-N 2 0 349.478 3.247 20 0 EGADRP CC(C)O[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702672 461290402 /nfs/dbraw/zinc/29/04/02/461290402.db2.gz KRDANZDJQNBAJA-VGIQHARFSA-N 2 0 338.536 3.321 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000641770735 461363025 /nfs/dbraw/zinc/36/30/25/461363025.db2.gz CBEMCZVLZMXAQC-RTWAWAEBSA-N 2 0 329.532 3.389 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](c1ccccc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000641770733 461364283 /nfs/dbraw/zinc/36/42/83/461364283.db2.gz CBEMCZVLZMXAQC-LEWJYISDSA-N 2 0 329.532 3.389 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662745545 461364587 /nfs/dbraw/zinc/36/45/87/461364587.db2.gz NOOPOQOMRAJRKN-MOPGFXCFSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)c1cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000668666370 461373735 /nfs/dbraw/zinc/37/37/35/461373735.db2.gz GVJDWQKVKIGGMU-UHFFFAOYSA-N 2 0 333.520 3.156 20 0 EGADRP O=C(CCc1c[nH]cn1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871407 461393331 /nfs/dbraw/zinc/39/33/31/461393331.db2.gz IEMIBKKQVQCBRR-UHFFFAOYSA-N 2 0 344.484 3.169 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638381025 461397195 /nfs/dbraw/zinc/39/71/95/461397195.db2.gz HRGJJZISEGGIOE-QFBILLFUSA-N 2 0 331.504 3.065 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655730065 461399642 /nfs/dbraw/zinc/39/96/42/461399642.db2.gz LZNUAHPFXPCOST-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP CN(CC[NH+]1CCCCC1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000652992908 461444892 /nfs/dbraw/zinc/44/48/92/461444892.db2.gz LRBCFISLYMSOPJ-UHFFFAOYSA-N 2 0 343.515 3.230 20 0 EGADRP c1cc(CCC[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc2c1OCC2 ZINC000668818746 461451124 /nfs/dbraw/zinc/45/11/24/461451124.db2.gz KLWNIJVTGVMGQP-LJQANCHMSA-N 2 0 328.500 3.266 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666095893 461454037 /nfs/dbraw/zinc/45/40/37/461454037.db2.gz AYMZGYIEPAEVBZ-INIZCTEOSA-N 2 0 336.907 3.022 20 0 EGADRP C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000655837292 461487494 /nfs/dbraw/zinc/48/74/94/461487494.db2.gz RXZAIOQRPOCMDA-IRXDYDNUSA-N 2 0 327.472 3.304 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)o1 ZINC000647043977 461488489 /nfs/dbraw/zinc/48/84/89/461488489.db2.gz WCLWJLLZMNYTLY-UHFFFAOYSA-N 2 0 335.492 3.103 20 0 EGADRP CC(C)CNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000659927711 461501250 /nfs/dbraw/zinc/50/12/50/461501250.db2.gz HVINRUDSDAOIRG-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000653108177 461505073 /nfs/dbraw/zinc/50/50/73/461505073.db2.gz LSWHXTCYXSTJKA-WMZOPIPTSA-N 2 0 329.488 3.247 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000659946046 461507946 /nfs/dbraw/zinc/50/79/46/461507946.db2.gz ZBDJUAJQEAFTLO-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP O=c1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c[nH]1 ZINC000631066782 461520009 /nfs/dbraw/zinc/52/00/09/461520009.db2.gz ACIWQXXDQHTWEW-UHFFFAOYSA-N 2 0 345.874 3.442 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659983920 461528527 /nfs/dbraw/zinc/52/85/27/461528527.db2.gz YEGCJLUBJRXIGT-QGZVFWFLSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000638680375 461533014 /nfs/dbraw/zinc/53/30/14/461533014.db2.gz CATVBHBPQAGSFI-ICSRJNTNSA-N 2 0 330.516 3.223 20 0 EGADRP COc1cc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000638721496 461548789 /nfs/dbraw/zinc/54/87/89/461548789.db2.gz OSHNJUCUABSXPE-MRXNPFEDSA-N 2 0 331.504 3.408 20 0 EGADRP CC[C@@H](CC(F)F)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000660107632 461585251 /nfs/dbraw/zinc/58/52/51/461585251.db2.gz QDXHZLPZPYVPSB-INIZCTEOSA-N 2 0 331.495 3.158 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663360547 461588988 /nfs/dbraw/zinc/58/89/88/461588988.db2.gz WYEOLXVNDRLCLY-UHFFFAOYSA-N 2 0 345.531 3.387 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000653253293 461591799 /nfs/dbraw/zinc/59/17/99/461591799.db2.gz OBHQOPBRVFXNTH-CRAIPNDOSA-N 2 0 347.528 3.201 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1)C(C)C ZINC000653271973 461600917 /nfs/dbraw/zinc/60/09/17/461600917.db2.gz SXRSOZBCQFGJJG-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000647288285 461615917 /nfs/dbraw/zinc/61/59/17/461615917.db2.gz ZEXNIQVWMJPNQT-OAQYLSRUSA-N 2 0 347.547 3.400 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000638862393 461624995 /nfs/dbraw/zinc/62/49/95/461624995.db2.gz UTFIATOANDAXFK-SFHVURJKSA-N 2 0 335.536 3.151 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663465353 461654515 /nfs/dbraw/zinc/65/45/15/461654515.db2.gz JIMCCEGDLQICAB-UKRRQHHQSA-N 2 0 329.444 3.306 20 0 EGADRP Cc1noc(C2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)n1 ZINC000663467276 461657321 /nfs/dbraw/zinc/65/73/21/461657321.db2.gz ZUPAOHNZKNACNR-AOCRQIFASA-N 2 0 332.492 3.116 20 0 EGADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000643453510 461730593 /nfs/dbraw/zinc/73/05/93/461730593.db2.gz IXJUYGYJVARMRZ-BHIYHBOVSA-N 2 0 327.472 3.229 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1[NH3+] ZINC000647498150 461735705 /nfs/dbraw/zinc/73/57/05/461735705.db2.gz BLKVMBAXKOCQKI-UYAOXDASSA-N 2 0 325.456 3.220 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000643465040 461736763 /nfs/dbraw/zinc/73/67/63/461736763.db2.gz PUVQRUPDQMYVSI-DLBZAZTESA-N 2 0 336.464 3.482 20 0 EGADRP CC[C@@H](C)Oc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OC ZINC000647542578 461755001 /nfs/dbraw/zinc/75/50/01/461755001.db2.gz OVWAERYHEWUDJA-MRXNPFEDSA-N 2 0 332.488 3.448 20 0 EGADRP FC(F)(F)COc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000647542201 461755281 /nfs/dbraw/zinc/75/52/81/461755281.db2.gz XNEIQHVNSWNCMD-INIZCTEOSA-N 2 0 342.405 3.449 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643533846 461755267 /nfs/dbraw/zinc/75/52/67/461755267.db2.gz FWRCEXRRJKZKKS-QAPCUYQASA-N 2 0 344.503 3.353 20 0 EGADRP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543517 461757748 /nfs/dbraw/zinc/75/77/48/461757748.db2.gz ORGFPYDIKWFDGV-MOPGFXCFSA-N 2 0 338.499 3.392 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544358 461759090 /nfs/dbraw/zinc/75/90/90/461759090.db2.gz ZLHMLHZBXRBCSQ-MOPGFXCFSA-N 2 0 346.515 3.443 20 0 EGADRP Brc1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543943 461759151 /nfs/dbraw/zinc/75/91/51/461759151.db2.gz URYDVXNDQDBTOL-HUUCEWRRSA-N 2 0 338.293 3.056 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647544508 461759578 /nfs/dbraw/zinc/75/95/78/461759578.db2.gz BVUUJZFLZULOLA-DLBZAZTESA-N 2 0 342.487 3.200 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC[NH2+]1 ZINC000666687236 461759933 /nfs/dbraw/zinc/75/99/33/461759933.db2.gz GWHGLZPOIOJCPH-ZIFCJYIRSA-N 2 0 344.503 3.051 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647543559 461760052 /nfs/dbraw/zinc/76/00/52/461760052.db2.gz PLAKDXICPJYMJX-HUUCEWRRSA-N 2 0 346.906 3.438 20 0 EGADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543662 461760091 /nfs/dbraw/zinc/76/00/91/461760091.db2.gz QYDICFSGNWZTKV-GJZGRUSLSA-N 2 0 332.879 3.199 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)c1OC ZINC000643548427 461760763 /nfs/dbraw/zinc/76/07/63/461760763.db2.gz PIJRCOBEVSSGDF-PBHICJAKSA-N 2 0 332.488 3.208 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)sn1 ZINC000639146349 461762759 /nfs/dbraw/zinc/76/27/59/461762759.db2.gz IHBIQAPMJRYMNS-UHFFFAOYSA-N 2 0 331.485 3.214 20 0 EGADRP COc1cccc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1F ZINC000669681596 461763788 /nfs/dbraw/zinc/76/37/88/461763788.db2.gz RTKQLVVHPHLKFA-UHFFFAOYSA-N 2 0 346.446 3.107 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666743560 461785683 /nfs/dbraw/zinc/78/56/83/461785683.db2.gz BRLXSYGAXDKGBH-YJBOKZPZSA-N 2 0 332.879 3.192 20 0 EGADRP CO[C@H]1CCC[NH+](CCC(C)CC[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000663758703 461792754 /nfs/dbraw/zinc/79/27/54/461792754.db2.gz ADUDPYSOGOQMRQ-PMACEKPBSA-N 2 0 340.552 3.405 20 0 EGADRP Clc1cccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000647791892 461837135 /nfs/dbraw/zinc/83/71/35/461837135.db2.gz PHVSUSBQQYPHCG-RWMBFGLXSA-N 2 0 329.271 3.350 20 0 EGADRP c1ccc(COc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccn2)cc1 ZINC000647793012 461838243 /nfs/dbraw/zinc/83/82/43/461838243.db2.gz HUWKVEUNWCVGGA-HSALFYBXSA-N 2 0 337.467 3.138 20 0 EGADRP c1ccc(COCCC2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647795713 461838256 /nfs/dbraw/zinc/83/82/56/461838256.db2.gz UHOPPEPZPVABAK-XUVXKRRUSA-N 2 0 328.500 3.351 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000647792910 461838614 /nfs/dbraw/zinc/83/86/14/461838614.db2.gz DUMCAQLDXQYRLS-NLDJYOPPSA-N 2 0 326.440 3.355 20 0 EGADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797834 461839553 /nfs/dbraw/zinc/83/95/53/461839553.db2.gz DMNMICAAYVMVGK-AJYBTWMASA-N 2 0 326.484 3.058 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000647859804 461862288 /nfs/dbraw/zinc/86/22/88/461862288.db2.gz SNTSWPBQIKZCCM-UHFFFAOYSA-N 2 0 344.421 3.468 20 0 EGADRP Fc1cc(Br)cc2c1CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000647891488 461872467 /nfs/dbraw/zinc/87/24/67/461872467.db2.gz JGQUJIWGRGLQCL-UHFFFAOYSA-N 2 0 341.268 3.336 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666954511 461886204 /nfs/dbraw/zinc/88/62/04/461886204.db2.gz WRPVCNNWPVPMEM-CJNGLKHVSA-N 2 0 335.879 3.097 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706755 461898896 /nfs/dbraw/zinc/89/88/96/461898896.db2.gz RTNAIRJDAGSAOH-NSHGMRRFSA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000650706298 461899601 /nfs/dbraw/zinc/89/96/01/461899601.db2.gz ICYJZOKORRPALS-CKEIUWERSA-N 2 0 326.843 3.197 20 0 EGADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2n1 ZINC000650707309 461899744 /nfs/dbraw/zinc/89/97/44/461899744.db2.gz CRLCOIWORFIVNU-QKNQBKEWSA-N 2 0 339.483 3.262 20 0 EGADRP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707156 461900481 /nfs/dbraw/zinc/90/04/81/461900481.db2.gz ZOTQMAWBSHQJTL-QANKJYHBSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000650707605 461900875 /nfs/dbraw/zinc/90/08/75/461900875.db2.gz JGAFJUVIEZGDFX-MFMPXEGWSA-N 2 0 336.426 3.196 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000650707442 461902226 /nfs/dbraw/zinc/90/22/26/461902226.db2.gz GKWGUFFICJNBLK-JGGQBBKZSA-N 2 0 349.475 3.154 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)c1 ZINC000666995327 461902838 /nfs/dbraw/zinc/90/28/38/461902838.db2.gz KDJNMGWGKLGQJU-IRXDYDNUSA-N 2 0 329.488 3.285 20 0 EGADRP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000650710134 461903898 /nfs/dbraw/zinc/90/38/98/461903898.db2.gz FNEGRQASXXZPHC-HLLBOEOZSA-N 2 0 341.430 3.491 20 0 EGADRP CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660655146 461905722 /nfs/dbraw/zinc/90/57/22/461905722.db2.gz KOIODGXQJDNFEW-BEFAXECRSA-N 2 0 347.528 3.153 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975426 461916703 /nfs/dbraw/zinc/91/67/03/461916703.db2.gz AFWQPZAKEKZRSG-BZSNNMDCSA-N 2 0 329.488 3.034 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975889 461917844 /nfs/dbraw/zinc/91/78/44/461917844.db2.gz HHHWLLWQABMRNI-MSOLQXFVSA-N 2 0 332.488 3.176 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000667039612 461924388 /nfs/dbraw/zinc/92/43/88/461924388.db2.gz ZUPWQKWSPGWLMK-GDBMZVCRSA-N 2 0 338.455 3.250 20 0 EGADRP C[C@@H](NCc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650754215 461934915 /nfs/dbraw/zinc/93/49/15/461934915.db2.gz DDPWVSCZADZUJU-OXQOHEQNSA-N 2 0 341.474 3.285 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763681 461942246 /nfs/dbraw/zinc/94/22/46/461942246.db2.gz GYMFBHGFYSTJDZ-LBPRGKRZSA-N 2 0 343.284 3.499 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCO[C@H]2C)CC1 ZINC000639577494 462000834 /nfs/dbraw/zinc/00/08/34/462000834.db2.gz JMOXHVZCNCEGSZ-ULQDDVLXSA-N 2 0 349.494 3.043 20 0 EGADRP c1ccc2c(NCC3CC[NH+](Cc4ccncc4)CC3)cc[nH+]c2c1 ZINC000664282675 462002738 /nfs/dbraw/zinc/00/27/38/462002738.db2.gz GGXXBYARLDYFSV-UHFFFAOYSA-N 2 0 332.451 3.376 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657310347 462034699 /nfs/dbraw/zinc/03/46/99/462034699.db2.gz CCJFZPBFOYJOOL-NQIIRXRSSA-N 2 0 346.515 3.456 20 0 EGADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000639656609 462042198 /nfs/dbraw/zinc/04/21/98/462042198.db2.gz SXFWBTQDACEZBG-ICSRJNTNSA-N 2 0 328.500 3.400 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](CC)CC)CCO1 ZINC000648425801 462115089 /nfs/dbraw/zinc/11/50/89/462115089.db2.gz QDYKSAOUKHRBSB-RTBURBONSA-N 2 0 334.504 3.454 20 0 EGADRP CCC[NH+]1CCC(N(C)Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000667534041 462130636 /nfs/dbraw/zinc/13/06/36/462130636.db2.gz KMWWDULHONBYSC-KRWDZBQOSA-N 2 0 334.504 3.407 20 0 EGADRP c1ccc2c(c1)CC[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC000657535737 462170530 /nfs/dbraw/zinc/17/05/30/462170530.db2.gz BDZGKFCZMJAEBY-HXUWFJFHSA-N 2 0 328.500 3.025 20 0 EGADRP CN(Cc1c(C2CC2)cnn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620895 462177824 /nfs/dbraw/zinc/17/78/24/462177824.db2.gz UCHRQOQYRWXFGZ-SFHVURJKSA-N 2 0 338.499 3.251 20 0 EGADRP C[C@H](CCNC(=O)Nc1cccc(C[NH3+])c1)[N@H+](C)Cc1ccccc1 ZINC000667725199 462232548 /nfs/dbraw/zinc/23/25/48/462232548.db2.gz AUZXEXNGRYGTMK-MRXNPFEDSA-N 2 0 340.471 3.177 20 0 EGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000667729655 462234676 /nfs/dbraw/zinc/23/46/76/462234676.db2.gz QBYXQINFJLLWGT-UHFFFAOYSA-N 2 0 340.471 3.049 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813538 462279341 /nfs/dbraw/zinc/27/93/41/462279341.db2.gz QRPALVPXADLZFI-UHFFFAOYSA-N 2 0 342.462 3.427 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812920 462279684 /nfs/dbraw/zinc/27/96/84/462279684.db2.gz WZKHBPNTZJVRHK-UHFFFAOYSA-N 2 0 338.499 3.143 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc3cnccc3o2)c1 ZINC000651681367 462301917 /nfs/dbraw/zinc/30/19/17/462301917.db2.gz MPUUFZUKNVDTOZ-UHFFFAOYSA-N 2 0 325.412 3.058 20 0 EGADRP CC[NH+](CC)CCN(Cc1cn(C)cn1)Cc1ccc(Cl)cc1 ZINC000661575647 462315999 /nfs/dbraw/zinc/31/59/99/462315999.db2.gz JRZPQSFSAFSMAE-UHFFFAOYSA-N 2 0 334.895 3.418 20 0 EGADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000651727930 462317563 /nfs/dbraw/zinc/31/75/63/462317563.db2.gz FYMKIVYOTBEJNI-AEFFLSMTSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]2(C)C2CCCCC2)CC1 ZINC000640220826 462318972 /nfs/dbraw/zinc/31/89/72/462318972.db2.gz YHECLGRIHROYMT-HXUWFJFHSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2ccncc2s1 ZINC000657926222 462319488 /nfs/dbraw/zinc/31/94/88/462319488.db2.gz RKPUVHKQAKHLIR-XKQJLSEDSA-N 2 0 345.512 3.325 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[N@@H+]3CCCC3(C)C)ccc21 ZINC000640222262 462320233 /nfs/dbraw/zinc/32/02/33/462320233.db2.gz LXRPZWGRCWGGLR-GOSISDBHSA-N 2 0 344.503 3.231 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667927965 462328811 /nfs/dbraw/zinc/32/88/11/462328811.db2.gz LTIZVWGKOZHDBS-QGZVFWFLSA-N 2 0 334.504 3.107 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000657976867 462334692 /nfs/dbraw/zinc/33/46/92/462334692.db2.gz UREMJQPHQPDVMI-LPHOPBHVSA-N 2 0 337.939 3.277 20 0 EGADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000645486113 462344968 /nfs/dbraw/zinc/34/49/68/462344968.db2.gz XBMKGJSFJCUZNV-HUUCEWRRSA-N 2 0 330.451 3.392 20 0 EGADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC000658067931 462364684 /nfs/dbraw/zinc/36/46/84/462364684.db2.gz SHCKURYVYVSDCE-IBGZPJMESA-N 2 0 348.918 3.288 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000658068414 462366364 /nfs/dbraw/zinc/36/63/64/462366364.db2.gz FCVSTSUTWVZWCV-CVEARBPZSA-N 2 0 335.923 3.486 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1OC ZINC000658164918 462415397 /nfs/dbraw/zinc/41/53/97/462415397.db2.gz GQRWPNGFARFROX-WOJBJXKFSA-N 2 0 345.531 3.477 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652138526 462446191 /nfs/dbraw/zinc/44/61/91/462446191.db2.gz HNYYMHDABGFJAG-WMLDXEAASA-N 2 0 348.487 3.237 20 0 EGADRP CC(C)([NH3+])CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649328841 462479732 /nfs/dbraw/zinc/47/97/32/462479732.db2.gz LKZJSQHRCYKQRC-OAQYLSRUSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1-n1ccnn1 ZINC000658352961 462487029 /nfs/dbraw/zinc/48/70/29/462487029.db2.gz IRIDWBSJOMSOSV-INIZCTEOSA-N 2 0 339.487 3.040 20 0 EGADRP [NH3+]CCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000168779858 534598871 /nfs/dbraw/zinc/59/88/71/534598871.db2.gz MHPDSNFODGPNOQ-IHWFROFDSA-N 2 0 343.515 3.207 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180992083 527533958 /nfs/dbraw/zinc/53/39/58/527533958.db2.gz DPDCCZDWJTVPQA-MKRMIXIUSA-N 2 0 336.479 3.446 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635644 528031553 /nfs/dbraw/zinc/03/15/53/528031553.db2.gz BMYVVBIYCHNOJP-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[C@@H](C[NH2+]C[C@H](C)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000187652022 528463297 /nfs/dbraw/zinc/46/32/97/528463297.db2.gz AZUDOUMXEJGVOK-QFBILLFUSA-N 2 0 337.939 3.305 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000154468122 529143767 /nfs/dbraw/zinc/14/37/67/529143767.db2.gz XEHAXGLJTBGAMI-AWEZNQCLSA-N 2 0 329.941 3.470 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000154453998 529144574 /nfs/dbraw/zinc/14/45/74/529144574.db2.gz PRMWGPPGLUXEMJ-LAUBAEHRSA-N 2 0 347.522 3.456 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000154297344 529145152 /nfs/dbraw/zinc/14/51/52/529145152.db2.gz HCSUADHBAFHNPP-OAHLLOKOSA-N 2 0 343.437 3.384 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000246577854 535079171 /nfs/dbraw/zinc/07/91/71/535079171.db2.gz YJKXLZIEIXTJKC-MSOLQXFVSA-N 2 0 341.503 3.286 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCOC1 ZINC000358028533 535920899 /nfs/dbraw/zinc/92/08/99/535920899.db2.gz XZWUCMRXFZJXOC-OVQGTLEDSA-N 2 0 346.515 3.201 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000266541493 535975700 /nfs/dbraw/zinc/97/57/00/535975700.db2.gz LJEAJTZAGKDKAI-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000041069269 546539251 /nfs/dbraw/zinc/53/92/51/546539251.db2.gz AMKIWGRJADYHLB-LLVKDONJSA-N 2 0 329.257 3.408 20 0 EGADRP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1CC[NH+](C)CC1 ZINC000089510168 546644776 /nfs/dbraw/zinc/64/47/76/546644776.db2.gz URUPMMZUEIURJK-ZDUSSCGKSA-N 2 0 338.879 3.321 20 0 EGADRP COc1ccc(C2(C[NH2+][C@H](C)C3CC[NH+](C)CC3)CCOCC2)cc1 ZINC000152685514 546872811 /nfs/dbraw/zinc/87/28/11/546872811.db2.gz VVSSAEAVDBTNQL-QGZVFWFLSA-N 2 0 346.515 3.063 20 0 EGADRP c1csc(C[NH+]2CCC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987617 /nfs/dbraw/zinc/98/76/17/546987617.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 3 0 333.545 3.177 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166190571 546988391 /nfs/dbraw/zinc/98/83/91/546988391.db2.gz BUJHVWVGJQQOPQ-WOJBJXKFSA-N 3 0 345.531 3.124 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000182012897 547075597 /nfs/dbraw/zinc/07/55/97/547075597.db2.gz YYBYQIMJBYSEKQ-YLJYHZDGSA-N 2 0 339.483 3.065 20 0 EGADRP Cc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000280566184 547373280 /nfs/dbraw/zinc/37/32/80/547373280.db2.gz LHEUQGKVALRRJX-KSEOMHKRSA-N 2 0 335.495 3.433 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000310105350 547461385 /nfs/dbraw/zinc/46/13/85/547461385.db2.gz ZVTAWAYTXSJABZ-HKBOAZHASA-N 2 0 327.516 3.115 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339068648 547568445 /nfs/dbraw/zinc/56/84/45/547568445.db2.gz RYTYMNCOMLEZHL-YESZJQIVSA-N 2 0 349.906 3.144 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000339352079 547575248 /nfs/dbraw/zinc/57/52/48/547575248.db2.gz IHCRLXUNLGUXGB-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)CC2 ZINC000358998061 547749261 /nfs/dbraw/zinc/74/92/61/547749261.db2.gz FLFTTXVWCLWOHX-QGZVFWFLSA-N 2 0 332.488 3.403 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000398106986 547837538 /nfs/dbraw/zinc/83/75/38/547837538.db2.gz MXLWDQCFMWSHAT-KPACCLEDSA-N 2 0 327.516 3.160 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(-c3ccccc3)c2)CC1(C)C ZINC000441337235 547914602 /nfs/dbraw/zinc/91/46/02/547914602.db2.gz QQGOXCPVGRJSHP-UHFFFAOYSA-N 2 0 337.511 3.469 20 0 EGADRP CCC[NH+]1CCC(Nc2cccc(NC(=O)C[NH+](CC)CC)c2)CC1 ZINC000672623851 548454169 /nfs/dbraw/zinc/45/41/69/548454169.db2.gz ZBFQPFFMYBZCMQ-UHFFFAOYSA-N 2 0 346.519 3.253 20 0 EGADRP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000672623706 548454277 /nfs/dbraw/zinc/45/42/77/548454277.db2.gz DUILCPGOBMLHNX-MRXNPFEDSA-N 2 0 346.519 3.109 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000675743105 548972685 /nfs/dbraw/zinc/97/26/85/548972685.db2.gz ZNCMOEXGMBWPAY-SFHVURJKSA-N 2 0 343.515 3.049 20 0 EGADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000675742926 548972968 /nfs/dbraw/zinc/97/29/68/548972968.db2.gz XYTCCHRNGJSZAQ-ZDUSSCGKSA-N 2 0 329.941 3.468 20 0 EGADRP COc1ccccc1N1CCC([NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC000675792206 548982151 /nfs/dbraw/zinc/98/21/51/548982151.db2.gz CWASIEYVIFNKNM-UHFFFAOYSA-N 2 0 345.531 3.374 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000676639536 549120799 /nfs/dbraw/zinc/12/07/99/549120799.db2.gz MSAOBIDKWCUQAH-CQSZACIVSA-N 2 0 333.476 3.036 20 0 EGADRP CCC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC(C)(C)O ZINC000678238679 549438314 /nfs/dbraw/zinc/43/83/14/549438314.db2.gz CSRPJHBDHHXAQY-UHFFFAOYSA-N 2 0 334.504 3.144 20 0 EGADRP COc1ccccc1CC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678241712 549439872 /nfs/dbraw/zinc/43/98/72/549439872.db2.gz YQSZRHZBBSSPIK-UHFFFAOYSA-N 2 0 342.483 3.310 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)nc2C)[C@H](C)C1 ZINC000678426061 549489364 /nfs/dbraw/zinc/48/93/64/549489364.db2.gz FDXDDFVOPRCKEK-ZTNFWEORSA-N 2 0 333.520 3.486 20 0 EGADRP C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000678596000 549527650 /nfs/dbraw/zinc/52/76/50/549527650.db2.gz MYSDDQOAYWDJOP-QGZVFWFLSA-N 2 0 334.504 3.220 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)ccn1 ZINC000678609154 549531436 /nfs/dbraw/zinc/53/14/36/549531436.db2.gz GQLLULOEUAPBFC-SFHVURJKSA-N 2 0 347.409 3.077 20 0 EGADRP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719024 549547377 /nfs/dbraw/zinc/54/73/77/549547377.db2.gz FVNOPJLAQLZZLT-HXUWFJFHSA-N 2 0 345.531 3.074 20 0 EGADRP C[N@H+](Cc1ccc2ccccc2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719839 549547490 /nfs/dbraw/zinc/54/74/90/549547490.db2.gz PJUMGFUJUBNQRE-JOCHJYFZSA-N 2 0 337.511 3.440 20 0 EGADRP C[N@H+](Cc1cc2ccccc2o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678722101 549548517 /nfs/dbraw/zinc/54/85/17/549548517.db2.gz TXKLYLAHTVRHBR-SFHVURJKSA-N 2 0 327.472 3.033 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678770463 549557869 /nfs/dbraw/zinc/55/78/69/549557869.db2.gz GLFWKAJLIZLISD-PLMTUMEDSA-N 2 0 327.516 3.068 20 0 EGADRP Cc1ncc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)s1 ZINC000679081017 549630743 /nfs/dbraw/zinc/63/07/43/549630743.db2.gz UZMASHUHHPPVMC-IUODEOHRSA-N 2 0 331.489 3.160 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000680050722 549811237 /nfs/dbraw/zinc/81/12/37/549811237.db2.gz FFXABAUINATJCM-KRWDZBQOSA-N 2 0 325.456 3.153 20 0 EGADRP C[N@H+](Cc1ccncc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680479357 549870288 /nfs/dbraw/zinc/87/02/88/549870288.db2.gz KWZJFNGITZESAO-UHFFFAOYSA-N 2 0 325.456 3.188 20 0 EGADRP CC[C@]1(CO)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755891 550033138 /nfs/dbraw/zinc/03/31/38/550033138.db2.gz ZRCRKDNOKQPJQE-NRFANRHFSA-N 2 0 346.515 3.146 20 0 EGADRP COc1cc(C)c([C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000682070148 550068465 /nfs/dbraw/zinc/06/84/65/550068465.db2.gz KIWQEJMWLVUVOF-MSOLQXFVSA-N 2 0 348.531 3.398 20 0 EGADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000682912781 550162518 /nfs/dbraw/zinc/16/25/18/550162518.db2.gz JZFYFVSXNBOJEY-RBUKOAKNSA-N 2 0 344.547 3.420 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccnn1C ZINC000683692208 550254614 /nfs/dbraw/zinc/25/46/14/550254614.db2.gz MZXMYZYJBAEHRW-MTFMMBMASA-N 2 0 338.499 3.371 20 0 EGADRP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000733798105 575397745 /nfs/dbraw/zinc/39/77/45/575397745.db2.gz JOWNPPQRTCNAGS-CQSZACIVSA-N 2 0 331.460 3.473 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000683706196 576186832 /nfs/dbraw/zinc/18/68/32/576186832.db2.gz CVFFQQWTFPXTDS-UHFFFAOYSA-N 2 0 340.471 3.049 20 0 EGADRP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+]1CCCCC1 ZINC000743316271 576805581 /nfs/dbraw/zinc/80/55/81/576805581.db2.gz PSGKKYFBVLOPTB-HNNXBMFYSA-N 2 0 343.471 3.099 20 0 EGADRP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000687959646 1298121755 /nfs/dbraw/zinc/12/17/55/1298121755.db2.gz NHOMXSMTKBTVCW-INIZCTEOSA-N 2 0 341.524 3.100 20 0 EGADRP C[C@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000691736556 1298137829 /nfs/dbraw/zinc/13/78/29/1298137829.db2.gz WWMSBSZDJSKPLW-AZUAARDMSA-N 3 0 327.516 3.115 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)C(C)(C)C2(C)C)CC1 ZINC000782292721 1304949691 /nfs/dbraw/zinc/94/96/91/1304949691.db2.gz VGVYEAKABFYWFC-UHFFFAOYSA-N 2 0 337.552 3.425 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000063917403 1292031381 /nfs/dbraw/zinc/03/13/81/1292031381.db2.gz GKLLENLLNWGQQN-HNNXBMFYSA-N 2 0 330.394 3.449 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000069445499 1292242838 /nfs/dbraw/zinc/24/28/38/1292242838.db2.gz HCKPCTVNPCKHBZ-HXUWFJFHSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1)N1CC[NH+](C)CC1 ZINC000075763121 1292409729 /nfs/dbraw/zinc/40/97/29/1292409729.db2.gz FZKDGIMPQFYKFX-NRFANRHFSA-N 2 0 325.500 3.201 20 0 EGADRP Cc1cc(C)cc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC000076400037 1292428549 /nfs/dbraw/zinc/42/85/49/1292428549.db2.gz SFWADCIDEWKHAO-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000831089145 1292806917 /nfs/dbraw/zinc/80/69/17/1292806917.db2.gz SUOFAKJFSGNVRN-VNCLNFNDSA-N 2 0 329.488 3.233 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834615627 1293122998 /nfs/dbraw/zinc/12/29/98/1293122998.db2.gz GOZAQRLGPXRZSZ-NXOAAHMSSA-N 2 0 339.524 3.237 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000120813464 1293340072 /nfs/dbraw/zinc/34/00/72/1293340072.db2.gz UHAPTZDMAZUORE-IBGZPJMESA-N 2 0 326.488 3.330 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000126050263 1293524074 /nfs/dbraw/zinc/52/40/74/1293524074.db2.gz SJJVWCRSXVOVBR-UHFFFAOYSA-N 2 0 329.532 3.260 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000130597252 1293662203 /nfs/dbraw/zinc/66/22/03/1293662203.db2.gz IXOSAMDLHBJGQU-OAHLLOKOSA-N 2 0 346.906 3.004 20 0 EGADRP CC(C)c1ncc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC000131223515 1293683653 /nfs/dbraw/zinc/68/36/53/1293683653.db2.gz DGTJAFYPOBFNKV-UHFFFAOYSA-N 2 0 333.501 3.497 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000132206575 1293712428 /nfs/dbraw/zinc/71/24/28/1293712428.db2.gz DMBGDAZNSWRTTI-GOSISDBHSA-N 2 0 347.503 3.237 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2sccc2Br)cc1 ZINC000148335847 1293882854 /nfs/dbraw/zinc/88/28/54/1293882854.db2.gz DCFNWZCQEHDLTK-UHFFFAOYSA-N 2 0 325.275 3.302 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000151195834 1293911969 /nfs/dbraw/zinc/91/19/69/1293911969.db2.gz UHQJCSISOUXCOQ-OAHLLOKOSA-N 2 0 335.879 3.335 20 0 EGADRP CN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@H]1CCC[N@H+](C)C1 ZINC000152424190 1293967932 /nfs/dbraw/zinc/96/79/32/1293967932.db2.gz CAKFEICXRJGWNK-HNNXBMFYSA-N 2 0 340.467 3.055 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(C)nc2)cc1 ZINC000155432124 1294097095 /nfs/dbraw/zinc/09/70/95/1294097095.db2.gz JTPSAIRHMTYZMO-UHFFFAOYSA-N 2 0 327.472 3.400 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000156599966 1294151321 /nfs/dbraw/zinc/15/13/21/1294151321.db2.gz QGYFMUKGXBLUBK-RDHHWEPZSA-N 2 0 339.524 3.142 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC000158731507 1294212531 /nfs/dbraw/zinc/21/25/31/1294212531.db2.gz IKFAOGGZPOGWDB-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000161761328 1294298886 /nfs/dbraw/zinc/29/88/86/1294298886.db2.gz DYDOOAVJWVBCMB-KRWDZBQOSA-N 2 0 345.487 3.416 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000161761487 1294298976 /nfs/dbraw/zinc/29/89/76/1294298976.db2.gz DYDOOAVJWVBCMB-QGZVFWFLSA-N 2 0 345.487 3.416 20 0 EGADRP O[C@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)c1ccccc1 ZINC000172328655 1294433213 /nfs/dbraw/zinc/43/32/13/1294433213.db2.gz QYLVOMXDENKACH-OAQYLSRUSA-N 2 0 333.435 3.090 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(C)OCCO2)cc1C[NH+]1CCCCC1 ZINC000183422237 1295118399 /nfs/dbraw/zinc/11/83/99/1295118399.db2.gz NDHQHRICYYMJCC-INIZCTEOSA-N 2 0 348.487 3.095 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187126235 1295369761 /nfs/dbraw/zinc/36/97/61/1295369761.db2.gz SFHXPFZPXGWWAP-UHFFFAOYSA-N 2 0 343.515 3.197 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@H](C)C1 ZINC000187757136 1295415228 /nfs/dbraw/zinc/41/52/28/1295415228.db2.gz XODGPPFZEBTFDJ-QBPKDAKJSA-N 2 0 339.524 3.094 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2)CC1 ZINC000870871548 1296123305 /nfs/dbraw/zinc/12/33/05/1296123305.db2.gz FCNLPPKDDBRJRN-UFYCRDLUSA-N 2 0 343.515 3.093 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000870891679 1296131390 /nfs/dbraw/zinc/13/13/90/1296131390.db2.gz HPHFZXNGLADZOK-FRYIKTPZSA-N 2 0 343.515 3.015 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000870957824 1296154485 /nfs/dbraw/zinc/15/44/85/1296154485.db2.gz WJWSLEHOUVKSHK-UHFFFAOYSA-N 2 0 337.533 3.050 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1CNC1CC[NH+](C(C)C)CC1 ZINC000236601735 1296192455 /nfs/dbraw/zinc/19/24/55/1296192455.db2.gz JFZWGNCKEQJNKT-UHFFFAOYSA-N 2 0 326.488 3.452 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237053080 1296218024 /nfs/dbraw/zinc/21/80/24/1296218024.db2.gz TVYGCQKGTJODKR-FUHWJXTLSA-N 2 0 331.504 3.093 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261981817 1296612590 /nfs/dbraw/zinc/61/25/90/1296612590.db2.gz JGSFCMHPFOISJZ-UHFFFAOYSA-N 2 0 339.277 3.033 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCCC2 ZINC000872035869 1296684045 /nfs/dbraw/zinc/68/40/45/1296684045.db2.gz NWYIODVHISSASJ-YJBOKZPZSA-N 2 0 332.488 3.403 20 0 EGADRP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156492 1296776514 /nfs/dbraw/zinc/77/65/14/1296776514.db2.gz KEGBNPALZUZOEB-LMMKCTJWSA-N 2 0 335.536 3.007 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000304596059 1296931991 /nfs/dbraw/zinc/93/19/91/1296931991.db2.gz LQFJCMSPKZNGPQ-UHFFFAOYSA-N 2 0 327.513 3.144 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(C)o1 ZINC000305703692 1297028312 /nfs/dbraw/zinc/02/83/12/1297028312.db2.gz CGPMLDQMMWMSGZ-UHFFFAOYSA-N 2 0 328.456 3.143 20 0 EGADRP C[N@H+](CCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)Cc1ccccc1 ZINC000309840226 1297077194 /nfs/dbraw/zinc/07/71/94/1297077194.db2.gz WLRFAWMKBYASCA-LJQANCHMSA-N 2 0 334.410 3.110 20 0 EGADRP C[C@]1(C[NH2+]C[C@@H](O)c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000310881027 1297101836 /nfs/dbraw/zinc/10/18/36/1297101836.db2.gz IEIOFCRLZMQKKG-NHCUHLMSSA-N 2 0 342.458 3.361 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000311199337 1297105905 /nfs/dbraw/zinc/10/59/05/1297105905.db2.gz JRUVVWLNRSVPTO-OXJNMPFZSA-N 2 0 346.421 3.110 20 0 EGADRP C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000324898099 1297218095 /nfs/dbraw/zinc/21/80/95/1297218095.db2.gz VAXZIHKYIMWPNO-WMLDXEAASA-N 2 0 349.500 3.052 20 0 EGADRP CCCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350439 1297254613 /nfs/dbraw/zinc/25/46/13/1297254613.db2.gz NGDRUBFAZLGOGZ-XJKSGUPXSA-N 2 0 325.294 3.454 20 0 EGADRP Fc1ccccc1[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873204922 1297349327 /nfs/dbraw/zinc/34/93/27/1297349327.db2.gz LEIOPXDESGFKGT-QGZVFWFLSA-N 2 0 332.444 3.106 20 0 EGADRP c1c(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)sc2c1C[NH2+]CC2 ZINC000873205964 1297350630 /nfs/dbraw/zinc/35/06/30/1297350630.db2.gz XYZJKFGWCUFCSA-KRWDZBQOSA-N 3 0 347.572 3.482 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000873239319 1297381832 /nfs/dbraw/zinc/38/18/32/1297381832.db2.gz SRPHCPYXTUMDFL-KZNAEPCWSA-N 2 0 345.487 3.147 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000873252998 1297391094 /nfs/dbraw/zinc/39/10/94/1297391094.db2.gz XGGSCRBENXRIQD-HNXYLICVSA-N 2 0 329.669 3.417 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000873256245 1297393170 /nfs/dbraw/zinc/39/31/70/1297393170.db2.gz NAGUWKBNIQNLMM-LPEHRKFASA-N 2 0 336.329 3.277 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000873263532 1297396653 /nfs/dbraw/zinc/39/66/53/1297396653.db2.gz JBHYAFZUMQZTDK-WGHHSJJZSA-N 3 0 339.527 3.302 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CCCOC2=O)cc1 ZINC000873262527 1297396692 /nfs/dbraw/zinc/39/66/92/1297396692.db2.gz ZVZFVTPSWHBTHK-XYVMCAHJSA-N 2 0 343.471 3.215 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000873282240 1297408629 /nfs/dbraw/zinc/40/86/29/1297408629.db2.gz GLFLBCPHBJMXGC-ICSRJNTNSA-N 2 0 338.499 3.066 20 0 EGADRP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000873282445 1297408741 /nfs/dbraw/zinc/40/87/41/1297408741.db2.gz IAVVNGGGECXBJC-CKYFFXLPSA-N 2 0 333.785 3.232 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1nccc2ccccc21 ZINC000873290880 1297412596 /nfs/dbraw/zinc/41/25/96/1297412596.db2.gz BMMUASICNYINMN-RDJZCZTQSA-N 2 0 325.456 3.044 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1nccc2ccccc21 ZINC000873290881 1297412670 /nfs/dbraw/zinc/41/26/70/1297412670.db2.gz BMMUASICNYINMN-WBVHZDCISA-N 2 0 325.456 3.044 20 0 EGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CCCO2 ZINC000873292688 1297414182 /nfs/dbraw/zinc/41/41/82/1297414182.db2.gz UTVRYURLGAXBTB-MJGOQNOKSA-N 2 0 344.499 3.265 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)oc21 ZINC000873292384 1297414269 /nfs/dbraw/zinc/41/42/69/1297414269.db2.gz QSYZIGNYRWIUIL-GOEBONIOSA-N 2 0 344.455 3.251 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000390087975 1297620616 /nfs/dbraw/zinc/62/06/16/1297620616.db2.gz BCCJVURPIFVCHZ-CJNGLKHVSA-N 2 0 330.394 3.060 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000390848504 1297633617 /nfs/dbraw/zinc/63/36/17/1297633617.db2.gz GQNOJMSBLMLHKF-MRXNPFEDSA-N 2 0 330.394 3.060 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399093593 1297724215 /nfs/dbraw/zinc/72/42/15/1297724215.db2.gz UUBNZLZHSNNVFU-DOTOQJQBSA-N 2 0 339.524 3.238 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C)[C@H](C)[NH3+] ZINC000404373742 1297751281 /nfs/dbraw/zinc/75/12/81/1297751281.db2.gz SKNPELMXKVGMEJ-IPLXSBJHSA-N 2 0 345.531 3.116 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686219199 1298114861 /nfs/dbraw/zinc/11/48/61/1298114861.db2.gz XPOZDVJZYPRZOI-CVEARBPZSA-N 2 0 341.540 3.342 20 0 EGADRP CCOC(=O)CC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000691873975 1298139622 /nfs/dbraw/zinc/13/96/22/1298139622.db2.gz ATNWETDHRUWNHD-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000708522880 1298241322 /nfs/dbraw/zinc/24/13/22/1298241322.db2.gz YFRBMEASWZHOLG-MJGOQNOKSA-N 2 0 344.499 3.030 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000746178315 1298548522 /nfs/dbraw/zinc/54/85/22/1298548522.db2.gz MTKUEGWNWJONCX-IAGOWNOFSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000877013708 1299113824 /nfs/dbraw/zinc/11/38/24/1299113824.db2.gz GADJAYLQUNXDOZ-UHFFFAOYSA-N 2 0 339.892 3.069 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000877143436 1299180511 /nfs/dbraw/zinc/18/05/11/1299180511.db2.gz OUPXMNBDAJTYPO-UHFFFAOYSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877154476 1299185250 /nfs/dbraw/zinc/18/52/50/1299185250.db2.gz RCAHQSQCYGPSOX-SLYNCCJLSA-N 2 0 327.516 3.428 20 0 EGADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000877267502 1299228048 /nfs/dbraw/zinc/22/80/48/1299228048.db2.gz XDBYJJTYZHSKJI-PXNSSMCTSA-N 2 0 345.531 3.149 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(O[C@H]3CCOC3)cc1)CC2 ZINC000877684053 1299477638 /nfs/dbraw/zinc/47/76/38/1299477638.db2.gz OMHOLSKSMCJCGA-FQEVSTJZSA-N 2 0 344.499 3.162 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000877684782 1299477910 /nfs/dbraw/zinc/47/79/10/1299477910.db2.gz XNNJSHVEMIFOAW-UHFFFAOYSA-N 2 0 325.456 3.248 20 0 EGADRP Cc1cc2cc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)oc2cc1C ZINC000877747232 1299524946 /nfs/dbraw/zinc/52/49/46/1299524946.db2.gz DBGQAKFYDDPLOC-UHFFFAOYSA-N 2 0 341.499 3.261 20 0 EGADRP CC[NH+](CC)CCCN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064279 1300277988 /nfs/dbraw/zinc/27/79/88/1300277988.db2.gz KKUZOBWNFKNNED-SJORKVTESA-N 2 0 341.540 3.344 20 0 EGADRP C[NH+]1CCC([C@H]2CCN(Cn3nc(C4CC4)sc3=S)C2)CC1 ZINC000755774618 1300396019 /nfs/dbraw/zinc/39/60/19/1300396019.db2.gz IOPFWZIDWQQOOQ-AWEZNQCLSA-N 2 0 338.546 3.173 20 0 EGADRP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000756098754 1300438598 /nfs/dbraw/zinc/43/85/98/1300438598.db2.gz ZPWQERRUISTXAQ-HNNXBMFYSA-N 2 0 346.475 3.003 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(-c3ccccc3)no1)CC2 ZINC000879246673 1300451459 /nfs/dbraw/zinc/45/14/59/1300451459.db2.gz GQPFATSQHDVCKF-UHFFFAOYSA-N 2 0 326.444 3.044 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC000763069504 1301818639 /nfs/dbraw/zinc/81/86/39/1301818639.db2.gz OBLCDUFDNHDILG-UHFFFAOYSA-N 2 0 345.531 3.409 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882893281 1302152515 /nfs/dbraw/zinc/15/25/15/1302152515.db2.gz PUBMOBRPHKMVKU-HUUCEWRRSA-N 2 0 332.444 3.234 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000765349804 1302251730 /nfs/dbraw/zinc/25/17/30/1302251730.db2.gz NOHQOHFCKDMBKE-UHOFOFEASA-N 2 0 330.394 3.059 20 0 EGADRP c1cnc(N2CCC([NH2+]CCCCCCC[NH+]3CCCC3)CC2)cn1 ZINC000765773844 1302323092 /nfs/dbraw/zinc/32/30/92/1302323092.db2.gz AEDBDHXOBUNUGE-UHFFFAOYSA-N 2 0 345.535 3.081 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000765872598 1302344214 /nfs/dbraw/zinc/34/42/14/1302344214.db2.gz XKVBIXFGOQSBLN-BXUZGUMPSA-N 2 0 329.257 3.203 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883431646 1302442216 /nfs/dbraw/zinc/44/22/16/1302442216.db2.gz ALILKKFHFRQURT-XRXFAXGQSA-N 2 0 344.499 3.125 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000766538315 1302473095 /nfs/dbraw/zinc/47/30/95/1302473095.db2.gz ZONUZLDOPRNHSW-APWZRJJASA-N 2 0 344.503 3.188 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]([NH3+])CC3CC3)c2)CC1 ZINC000884324754 1302811277 /nfs/dbraw/zinc/81/12/77/1302811277.db2.gz YRRUCPFBEILOLS-LJQANCHMSA-N 2 0 329.488 3.027 20 0 EGADRP C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769785527 1303173759 /nfs/dbraw/zinc/17/37/59/1303173759.db2.gz CSKITRLPCACBGH-YSIASYRMSA-N 2 0 332.488 3.030 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000886503700 1303479278 /nfs/dbraw/zinc/47/92/78/1303479278.db2.gz AFZIIXQINUTFKX-UHFFFAOYSA-N 2 0 342.531 3.437 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000886538645 1303491438 /nfs/dbraw/zinc/49/14/38/1303491438.db2.gz LPOGNDOZFVOUFY-GNZRSQJKSA-N 2 0 346.494 3.186 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000886606954 1303521449 /nfs/dbraw/zinc/52/14/49/1303521449.db2.gz IWFKUKNCZJRGJC-GUDVDZBRSA-N 2 0 344.499 3.218 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)C1 ZINC000773139283 1303632084 /nfs/dbraw/zinc/63/20/84/1303632084.db2.gz MTJLEPFBCMPYGE-IKGGRYGDSA-N 2 0 326.575 3.363 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2)cc1C[NH+]1CCCCC1 ZINC000775379326 1303950098 /nfs/dbraw/zinc/95/00/98/1303950098.db2.gz QMIARAOFLKOSOX-DLBZAZTESA-N 2 0 332.488 3.368 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)ccc1OC ZINC000775394599 1303954857 /nfs/dbraw/zinc/95/48/57/1303954857.db2.gz QOXOJLMZJWXWAZ-OAHLLOKOSA-N 2 0 330.476 3.419 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)ccc1OC ZINC000775399167 1303956387 /nfs/dbraw/zinc/95/63/87/1303956387.db2.gz AFEMMCMSOFFCMC-DLBZAZTESA-N 2 0 344.503 3.473 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCc2cnccn2)ccc1OC ZINC000775419867 1303962119 /nfs/dbraw/zinc/96/21/19/1303962119.db2.gz XPVXWTGGEYVURO-INIZCTEOSA-N 2 0 342.487 3.220 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000775754816 1304030109 /nfs/dbraw/zinc/03/01/09/1304030109.db2.gz CAJSTUZENFJRLR-UHFFFAOYSA-N 2 0 338.480 3.414 20 0 EGADRP CC(C)Cc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000776014676 1304079625 /nfs/dbraw/zinc/07/96/25/1304079625.db2.gz BBUJSYGSYUCGPI-SFTDATJTSA-N 2 0 330.516 3.383 20 0 EGADRP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000779439573 1304572313 /nfs/dbraw/zinc/57/23/13/1304572313.db2.gz NXLSLBWBEVSRCY-RDGPPVDQSA-N 2 0 326.440 3.098 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CN2C[C@@](C)(C3CCCC3)CC2=O)CC1 ZINC000780438014 1304691556 /nfs/dbraw/zinc/69/15/56/1304691556.db2.gz NJRCNFWLALFQST-NRFANRHFSA-N 2 0 349.563 3.427 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3C[C@](C)(C4CCCC4)CC3=O)C2)CC1 ZINC000780438535 1304691684 /nfs/dbraw/zinc/69/16/84/1304691684.db2.gz PBKAOKODOKORKK-GHTZIAJQSA-N 2 0 347.547 3.036 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccnc(Cl)c1 ZINC000781922397 1304892165 /nfs/dbraw/zinc/89/21/65/1304892165.db2.gz HIIWHDQAZXSFMI-KBXCAEBGSA-N 2 0 345.874 3.152 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000782188795 1304928506 /nfs/dbraw/zinc/92/85/06/1304928506.db2.gz PYRCRIARHIPBED-HZPDHXFCSA-N 2 0 341.540 3.342 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)cc1 ZINC000892460663 1305385439 /nfs/dbraw/zinc/38/54/39/1305385439.db2.gz RPYPSQQCTBYWBW-UHFFFAOYSA-N 2 0 326.488 3.429 20 0 EGADRP CCOC(CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)OCC ZINC000786971011 1305669980 /nfs/dbraw/zinc/66/99/80/1305669980.db2.gz PXLWIHNZDOVJHS-SJLPKXTDSA-N 2 0 326.525 3.408 20 0 EGADRP Fc1ccc(CC[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000893305392 1305817533 /nfs/dbraw/zinc/81/75/33/1305817533.db2.gz RIHCRAINLDKNQC-UHFFFAOYSA-N 2 0 331.410 3.409 20 0 EGADRP CCCSC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000893488001 1305921162 /nfs/dbraw/zinc/92/11/62/1305921162.db2.gz QCOPRRDMKAVNCF-VQIMIIECSA-N 2 0 336.545 3.265 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788507535 1305959553 /nfs/dbraw/zinc/95/95/53/1305959553.db2.gz PLMSFRUKRWQUCB-IRXDYDNUSA-N 2 0 341.540 3.342 20 0 EGADRP CCn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000893940513 1306137529 /nfs/dbraw/zinc/13/75/29/1306137529.db2.gz OMXAOTNPXDUILR-UHFFFAOYSA-N 2 0 326.488 3.344 20 0 EGADRP NC(=NOCC[NH+]1CCCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000789739534 1306208320 /nfs/dbraw/zinc/20/83/20/1306208320.db2.gz QGLZVCCHNVKMEV-UHFFFAOYSA-N 2 0 344.503 3.005 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790534120 1306345951 /nfs/dbraw/zinc/34/59/51/1306345951.db2.gz RXDCKWJVPBWGPR-UHFFFAOYSA-N 2 0 346.906 3.406 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-n2cccn2)c(F)c1 ZINC000894628909 1308987003 /nfs/dbraw/zinc/98/70/03/1308987003.db2.gz SRYJXBKRVOTJST-LNRIEFBSSA-N 2 0 328.435 3.287 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000895602158 1309423996 /nfs/dbraw/zinc/42/39/96/1309423996.db2.gz ZXYZEMWMYCDERN-LJQANCHMSA-N 2 0 327.472 3.238 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895693871 1309469599 /nfs/dbraw/zinc/46/95/99/1309469599.db2.gz NXNKDKUUYAHJFN-OXQOHEQNSA-N 2 0 338.499 3.155 20 0 EGADRP Clc1nc2cc(Cl)ccn2c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000796267798 1309947968 /nfs/dbraw/zinc/94/79/68/1309947968.db2.gz YZRCPFZQODHLBK-OLZOCXBDSA-N 2 0 339.270 3.358 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]CCC[NH+](C(C)C)C(C)C)CC1 ZINC000796780786 1310086743 /nfs/dbraw/zinc/08/67/43/1310086743.db2.gz UYULCUZFBZXHTF-UHFFFAOYSA-N 2 0 341.540 3.342 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000796994798 1310120907 /nfs/dbraw/zinc/12/09/07/1310120907.db2.gz VOGOWXIUOJPXML-IBGZPJMESA-N 2 0 340.471 3.050 20 0 EGADRP CCOCOc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000798956564 1310462676 /nfs/dbraw/zinc/46/26/76/1310462676.db2.gz CVASZRVWXSDLJC-UHFFFAOYSA-N 2 0 332.488 3.367 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)CC1 ZINC000857924300 1328626578 /nfs/dbraw/zinc/62/65/78/1328626578.db2.gz BMOYLKNPXMLAKL-LJQANCHMSA-N 2 0 343.515 3.016 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018938396 1316980886 /nfs/dbraw/zinc/98/08/86/1316980886.db2.gz MSDKWHLQTWNNLZ-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018990959 1316995509 /nfs/dbraw/zinc/99/55/09/1316995509.db2.gz SCLNBXHVQXBXGG-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018990958 1316995893 /nfs/dbraw/zinc/99/58/93/1316995893.db2.gz SCLNBXHVQXBXGG-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001019149812 1317071509 /nfs/dbraw/zinc/07/15/09/1317071509.db2.gz GLEDDTIPKKDFQS-AZUAARDMSA-N 2 0 348.450 3.290 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC(CC)([NH+]2CCC2)CC1)c1ccccc1 ZINC000899561933 1317090576 /nfs/dbraw/zinc/09/05/76/1317090576.db2.gz LIZHLHKYMMHSRV-IBGZPJMESA-N 2 0 343.515 3.156 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019189594 1317092492 /nfs/dbraw/zinc/09/24/92/1317092492.db2.gz SPBZILJXMDAOPE-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001019241518 1317119312 /nfs/dbraw/zinc/11/93/12/1317119312.db2.gz DIZLJVHHZITYGK-OKZBNKHCSA-N 2 0 349.906 3.076 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001019394889 1317214042 /nfs/dbraw/zinc/21/40/42/1317214042.db2.gz PNXJLGODPWQRLT-VDGAXYAQSA-N 2 0 345.531 3.402 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000957286720 1317261801 /nfs/dbraw/zinc/26/18/01/1317261801.db2.gz BGYVTGNGEGTVCJ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000957325514 1317286458 /nfs/dbraw/zinc/28/64/58/1317286458.db2.gz OHAOZKLDJBHXHK-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001019823459 1317440168 /nfs/dbraw/zinc/44/01/68/1317440168.db2.gz KIHXFLGYIOGZSC-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957561143 1317458711 /nfs/dbraw/zinc/45/87/11/1317458711.db2.gz GJTAVLCFLTVQAC-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957636092 1317510627 /nfs/dbraw/zinc/51/06/27/1317510627.db2.gz XPAHYBJKVYJHTN-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2)[NH+]1CCCC1 ZINC000957647461 1317518900 /nfs/dbraw/zinc/51/89/00/1317518900.db2.gz IRBUJURPBWUSGP-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020144184 1317559552 /nfs/dbraw/zinc/55/95/52/1317559552.db2.gz TYIRPINWKSJXRK-FHWLQOOXSA-N 2 0 349.563 3.312 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)c1ccccc1 ZINC001020143998 1317559579 /nfs/dbraw/zinc/55/95/79/1317559579.db2.gz NJKUSQWBXUAARB-WTGUMLROSA-N 2 0 343.515 3.247 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000902332287 1317564334 /nfs/dbraw/zinc/56/43/34/1317564334.db2.gz FBFTWKUKGMYBJK-WOJBJXKFSA-N 2 0 329.532 3.266 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCC1 ZINC001020156364 1317567069 /nfs/dbraw/zinc/56/70/69/1317567069.db2.gz IPFWSIWRGGUWQL-IYARVYRRSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000902388333 1317571483 /nfs/dbraw/zinc/57/14/83/1317571483.db2.gz OMRIHSAWWNHIAS-RDJZCZTQSA-N 2 0 344.503 3.035 20 0 EGADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1SC(F)(F)F ZINC000902514779 1317584844 /nfs/dbraw/zinc/58/48/44/1317584844.db2.gz PUHJKXGNVUKHQF-YPMHNXCESA-N 2 0 334.407 3.155 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001020214428 1317595812 /nfs/dbraw/zinc/59/58/12/1317595812.db2.gz STMINAKGVXDRIW-AFYVEPGGSA-N 2 0 343.515 3.167 20 0 EGADRP C[N@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)Cc1ccccc1 ZINC000903060473 1317643460 /nfs/dbraw/zinc/64/34/60/1317643460.db2.gz ZLSTYIVDWGHMIM-VCSGRIEYSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H]1Cc2ccccc2N1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903083964 1317649540 /nfs/dbraw/zinc/64/95/40/1317649540.db2.gz RNKUVXUQMFQHPA-SHFXZJCHSA-N 2 0 325.500 3.185 20 0 EGADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCc2sccc2C1 ZINC000903082635 1317649724 /nfs/dbraw/zinc/64/97/24/1317649724.db2.gz UIZKWWLMMUYNFB-NMACRGETSA-N 2 0 345.556 3.242 20 0 EGADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccco1 ZINC000903083393 1317649750 /nfs/dbraw/zinc/64/97/50/1317649750.db2.gz GJSBWMZRRDGRSE-DQXYTYHJSA-N 2 0 331.504 3.410 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903105799 1317654828 /nfs/dbraw/zinc/65/48/28/1317654828.db2.gz DWFORPOZVAWEDA-VCSGRIEYSA-N 3 0 333.564 3.492 20 0 EGADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C2 ZINC000903114848 1317655489 /nfs/dbraw/zinc/65/54/89/1317655489.db2.gz IAUZEDSYKBCKMT-XTVZSAFLSA-N 2 0 338.442 3.095 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001020352996 1317657002 /nfs/dbraw/zinc/65/70/02/1317657002.db2.gz KHKAYMQMAGXACP-SNRMKQJTSA-N 2 0 348.450 3.254 20 0 EGADRP CC1CCC2(CC1)OC[C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)O2 ZINC000903141892 1317662977 /nfs/dbraw/zinc/66/29/77/1317662977.db2.gz TVRQEEOBABWUSA-FRXDGCAESA-N 2 0 334.504 3.056 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903150678 1317663998 /nfs/dbraw/zinc/66/39/98/1317663998.db2.gz AAVZCCPECBWSBH-KUIDOIOASA-N 2 0 339.527 3.254 20 0 EGADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cc(F)cc(Cl)c1 ZINC000903158393 1317665457 /nfs/dbraw/zinc/66/54/57/1317665457.db2.gz IUJFDDKRBUXIAA-NXCDMZCRSA-N 2 0 338.854 3.260 20 0 EGADRP CC(=O)OCc1cccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000903161767 1317665479 /nfs/dbraw/zinc/66/54/79/1317665479.db2.gz XOOMWGFHMLTGCE-OAHLLOKOSA-N 2 0 330.472 3.275 20 0 EGADRP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000903172298 1317667760 /nfs/dbraw/zinc/66/77/60/1317667760.db2.gz XHCUTRKZSDRCGT-DJXYKJKZSA-N 2 0 334.891 3.163 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903175184 1317668814 /nfs/dbraw/zinc/66/88/14/1317668814.db2.gz RFZPESPPOZWPCG-VBZNHOPUSA-N 2 0 343.490 3.399 20 0 EGADRP Cc1ncccc1CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000903416893 1317698502 /nfs/dbraw/zinc/69/85/02/1317698502.db2.gz XIZFHQCDNWVLRY-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP CC[C@H](c1ccc(F)cc1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508783 1317706796 /nfs/dbraw/zinc/70/67/96/1317706796.db2.gz VGVVHPDOMYVNLX-FUHIMQAGSA-N 2 0 349.469 3.317 20 0 EGADRP CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718869 1317724997 /nfs/dbraw/zinc/72/49/97/1317724997.db2.gz SMOUOOJSFZQUSA-CYBMUJFWSA-N 2 0 328.909 3.382 20 0 EGADRP C[N@@H+](Cc1csc2ccccc12)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725182 1317725502 /nfs/dbraw/zinc/72/55/02/1317725502.db2.gz XSWZEJUJQWOKRD-MRXNPFEDSA-N 2 0 330.497 3.492 20 0 EGADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729401 1317727651 /nfs/dbraw/zinc/72/76/51/1317727651.db2.gz MEGMHWFJGTWZED-MJGOQNOKSA-N 2 0 344.499 3.381 20 0 EGADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903755409 1317730110 /nfs/dbraw/zinc/73/01/10/1317730110.db2.gz GQNQZDPABFCICX-ZBFHGGJFSA-N 2 0 349.544 3.173 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)O1 ZINC000903768967 1317730413 /nfs/dbraw/zinc/73/04/13/1317730413.db2.gz WDENGSGMSVNNCR-PMPSAXMXSA-N 2 0 334.426 3.198 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCc2ccc(Cl)cc21 ZINC000903765406 1317731248 /nfs/dbraw/zinc/73/12/48/1317731248.db2.gz ZMOALBODKUVYBE-LSBZLQRGSA-N 2 0 334.891 3.070 20 0 EGADRP Clc1ccc2c(c1Cl)CN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765445 1317731438 /nfs/dbraw/zinc/73/14/38/1317731438.db2.gz HIKLDJKMEUXAJO-DYVFJYSZSA-N 2 0 341.282 3.120 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001020508903 1317733777 /nfs/dbraw/zinc/73/37/77/1317733777.db2.gz GHFYZVYYRSXOPX-WNHJNPCNSA-N 2 0 349.563 3.170 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000903793094 1317734827 /nfs/dbraw/zinc/73/48/27/1317734827.db2.gz MSFHVDKOUNHEKJ-LJQANCHMSA-N 2 0 328.500 3.328 20 0 EGADRP Cc1ccc(C(=O)C2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903886636 1317741455 /nfs/dbraw/zinc/74/14/55/1317741455.db2.gz SEVGIMIAAZEODK-XGSMCBPESA-N 2 0 326.484 3.420 20 0 EGADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000903888946 1317742398 /nfs/dbraw/zinc/74/23/98/1317742398.db2.gz NGVSGDCGSZFFHD-ROUUACIJSA-N 2 0 331.508 3.137 20 0 EGADRP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1C ZINC000903894912 1317743132 /nfs/dbraw/zinc/74/31/32/1317743132.db2.gz HLGHOMDKZXYRGL-PXNSSMCTSA-N 2 0 339.487 3.157 20 0 EGADRP [NH3+]C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc2ccccc2c1 ZINC000903918854 1317749112 /nfs/dbraw/zinc/74/91/12/1317749112.db2.gz JGDSIFVPTVTCSW-JOCHJYFZSA-N 2 0 331.463 3.275 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000904393001 1317841082 /nfs/dbraw/zinc/84/10/82/1317841082.db2.gz GKIZRCUQCVJPPV-AABGKKOBSA-N 2 0 328.500 3.327 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000904405547 1317843039 /nfs/dbraw/zinc/84/30/39/1317843039.db2.gz NNAMEYGPUHJROI-QGZVFWFLSA-N 2 0 347.466 3.105 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1cccc2c1NCC2 ZINC000904473455 1317851760 /nfs/dbraw/zinc/85/17/60/1317851760.db2.gz IUGUSDHLNZPJIU-WIYYLYMNSA-N 2 0 335.451 3.000 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020675798 1317852892 /nfs/dbraw/zinc/85/28/92/1317852892.db2.gz GGTMVVKUVBHWHB-GUDVDZBRSA-N 2 0 347.547 3.066 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccccc1 ZINC000904665844 1317879476 /nfs/dbraw/zinc/87/94/76/1317879476.db2.gz OZNWCFGHFIOQBJ-LJQANCHMSA-N 2 0 340.471 3.350 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccccc1-c1ccccc1 ZINC000809741694 1317886302 /nfs/dbraw/zinc/88/63/02/1317886302.db2.gz SPWIQWZVFMTYHD-UHFFFAOYSA-N 2 0 325.500 3.279 20 0 EGADRP CC(C)Oc1cncc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC000906195330 1318052129 /nfs/dbraw/zinc/05/21/29/1318052129.db2.gz DMYOUYJOPYMVCM-UHFFFAOYSA-N 2 0 325.456 3.459 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001021093666 1318079796 /nfs/dbraw/zinc/07/97/96/1318079796.db2.gz GAESUBCBNWXKPA-WGSAOQKQSA-N 2 0 341.499 3.099 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001021461609 1318266127 /nfs/dbraw/zinc/26/61/27/1318266127.db2.gz LDPUHPSZWQFULW-IHWFROFDSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960006318 1318309615 /nfs/dbraw/zinc/30/96/15/1318309615.db2.gz GAGBDYWCMVGCFH-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC000960013370 1318311146 /nfs/dbraw/zinc/31/11/46/1318311146.db2.gz MSPHYPBEEHGJEY-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000960129652 1318372491 /nfs/dbraw/zinc/37/24/91/1318372491.db2.gz DLKKVFVTSQQUIL-WDSOQIARSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC000960137262 1318375950 /nfs/dbraw/zinc/37/59/50/1318375950.db2.gz PUFZRVPPPCRXRR-PMACEKPBSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700564 1318572657 /nfs/dbraw/zinc/57/26/57/1318572657.db2.gz RGDDEKDFXVTDPE-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858490761 1328777156 /nfs/dbraw/zinc/77/71/56/1328777156.db2.gz NMOMSJKDAJWZLL-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021738650 1318646142 /nfs/dbraw/zinc/64/61/42/1318646142.db2.gz BKZHHBWKWQXXMM-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022163846 1318824783 /nfs/dbraw/zinc/82/47/83/1318824783.db2.gz AQYPZTCXNVGLOD-OTWHNJEPSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022165245 1318825854 /nfs/dbraw/zinc/82/58/54/1318825854.db2.gz XBTHJRUZOUJWEE-OTWHNJEPSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960720491 1318831487 /nfs/dbraw/zinc/83/14/87/1318831487.db2.gz UTWKRCOLXUFBBC-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001022202173 1318841235 /nfs/dbraw/zinc/84/12/35/1318841235.db2.gz SIPOPPUMBHMPFV-WSTZPKSXSA-N 2 0 347.547 3.211 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001022278000 1318871777 /nfs/dbraw/zinc/87/17/77/1318871777.db2.gz FFRUWUKKWQSPOZ-IYWMVGAKSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001022290151 1318880604 /nfs/dbraw/zinc/88/06/04/1318880604.db2.gz HBWJHZAXIJCZJQ-NKGKWGDASA-N 2 0 349.906 3.122 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001022293095 1318881596 /nfs/dbraw/zinc/88/15/96/1318881596.db2.gz QSPYOKIMTBKVPB-GNBUJSLZSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022351050 1318902490 /nfs/dbraw/zinc/90/24/90/1318902490.db2.gz SKBRZSISVGHQNK-LMCOJAPRSA-N 2 0 343.515 3.105 20 0 EGADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815143360 1318909541 /nfs/dbraw/zinc/90/95/41/1318909541.db2.gz IWGQUHFNRVSPAK-OAQYLSRUSA-N 2 0 343.515 3.440 20 0 EGADRP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000815200309 1318926744 /nfs/dbraw/zinc/92/67/44/1318926744.db2.gz IXRMRDOEIWNKQF-MOPGFXCFSA-N 2 0 338.923 3.344 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001022712173 1319078919 /nfs/dbraw/zinc/07/89/19/1319078919.db2.gz LAADSQJATRMREJ-YTQUADARSA-N 2 0 343.515 3.031 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001022838397 1319132765 /nfs/dbraw/zinc/13/27/65/1319132765.db2.gz MUAOQQUTKOJGDC-WCIQWLHISA-N 2 0 347.547 3.211 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961030324 1319153753 /nfs/dbraw/zinc/15/37/53/1319153753.db2.gz UPGHDDMUCXPVMZ-RBUKOAKNSA-N 2 0 343.515 3.075 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1nc(Br)cs1 ZINC000817585515 1319406635 /nfs/dbraw/zinc/40/66/35/1319406635.db2.gz FUCKBHQMSTWUEO-WHXUTIOJSA-N 2 0 332.311 3.429 20 0 EGADRP [NH3+][C@@H]1C[C@@H](NC[C@@H](O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000817890405 1319452135 /nfs/dbraw/zinc/45/21/35/1319452135.db2.gz SZCAFAOJIMGGQL-BRWVUGGUSA-N 2 0 336.357 3.473 20 0 EGADRP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000817893760 1319453287 /nfs/dbraw/zinc/45/32/87/1319453287.db2.gz HAAQHPRSWVLPLU-POAQFYNOSA-N 2 0 334.504 3.408 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817894815 1319453870 /nfs/dbraw/zinc/45/38/70/1319453870.db2.gz QDVGWETYHHLUDS-SLFFLAALSA-N 2 0 326.440 3.242 20 0 EGADRP Fc1cc(Br)ccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817902157 1319454927 /nfs/dbraw/zinc/45/49/27/1319454927.db2.gz JOAZXYIVFIVUKT-PBWFPOADSA-N 2 0 327.241 3.003 20 0 EGADRP CCOC(=O)N[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC(C)C ZINC000817901024 1319455425 /nfs/dbraw/zinc/45/54/25/1319455425.db2.gz SPXBJAOOLNEGPF-BSDSXHPESA-N 2 0 339.524 3.048 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000817905512 1319456961 /nfs/dbraw/zinc/45/69/61/1319456961.db2.gz JIHGITNBLMOILO-MSQAHXEGSA-N 2 0 326.843 3.023 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000817917856 1319460537 /nfs/dbraw/zinc/46/05/37/1319460537.db2.gz UHGBGMTZFYRLFX-BVPBIZIASA-N 2 0 340.870 3.413 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000817915866 1319460579 /nfs/dbraw/zinc/46/05/79/1319460579.db2.gz AFQSLSNFYLDZRY-HOJAQTOUSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CCCCC2=O)cc1 ZINC000817930525 1319464644 /nfs/dbraw/zinc/46/46/44/1319464644.db2.gz DXTSBQVPEFLDHA-NAZJXLNTSA-N 2 0 327.472 3.137 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817934759 1319465174 /nfs/dbraw/zinc/46/51/74/1319465174.db2.gz CHDRJCGOXMIIIR-MRXNPFEDSA-N 3 0 331.504 3.084 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cnn(Cc2ccccc2)c1 ZINC000817949178 1319473416 /nfs/dbraw/zinc/47/34/16/1319473416.db2.gz NGCYUJBKQVHDTH-KRWDZBQOSA-N 2 0 334.467 3.283 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000817972063 1319480817 /nfs/dbraw/zinc/48/08/17/1319480817.db2.gz SVPNASZJWAZUCW-BXWFABGCSA-N 3 0 333.520 3.328 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000817980380 1319484139 /nfs/dbraw/zinc/48/41/39/1319484139.db2.gz AJLJMGFOBPRWSS-FRQCXROJSA-N 3 0 333.520 3.315 20 0 EGADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000817981439 1319485570 /nfs/dbraw/zinc/48/55/70/1319485570.db2.gz JOPBVCIEEPVJDW-KDOFPFPSSA-N 2 0 326.444 3.308 20 0 EGADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)ncc1F ZINC000817981500 1319485852 /nfs/dbraw/zinc/48/58/52/1319485852.db2.gz SHMGQVBSFJTNEC-GHMZBOCLSA-N 2 0 330.245 3.166 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000817987180 1319486916 /nfs/dbraw/zinc/48/69/16/1319486916.db2.gz XLBGCCBUNTXZJK-NVXWUHKLSA-N 2 0 327.472 3.139 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C(OC)OC)ccc2F)CC1 ZINC000818191441 1319514813 /nfs/dbraw/zinc/51/48/13/1319514813.db2.gz BMTPWOMJJJTBMB-UHFFFAOYSA-N 2 0 338.467 3.329 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023457350 1319559269 /nfs/dbraw/zinc/55/92/69/1319559269.db2.gz NMIQHLXHRLNFOE-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000818943052 1319583274 /nfs/dbraw/zinc/58/32/74/1319583274.db2.gz OJOOMZKCKSAHHB-FQEVSTJZSA-N 2 0 346.421 3.384 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818942819 1319583372 /nfs/dbraw/zinc/58/33/72/1319583372.db2.gz KTTKUMYQEQMMCL-HXUWFJFHSA-N 2 0 330.447 3.491 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819133063 1319644756 /nfs/dbraw/zinc/64/47/56/1319644756.db2.gz KTNWHSJTLMUZNV-LZWOXQAQSA-N 2 0 346.393 3.081 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000819141848 1319647278 /nfs/dbraw/zinc/64/72/78/1319647278.db2.gz JZYQZVOTNYKJCJ-LJQANCHMSA-N 2 0 340.458 3.346 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552896 1319663307 /nfs/dbraw/zinc/66/33/07/1319663307.db2.gz QNASSHADSWKBKY-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552897 1319663832 /nfs/dbraw/zinc/66/38/32/1319663832.db2.gz QNASSHADSWKBKY-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000962304634 1319908686 /nfs/dbraw/zinc/90/86/86/1319908686.db2.gz AECCPDPBUOBWJC-IVMQYODDSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809007 1319956709 /nfs/dbraw/zinc/95/67/09/1319956709.db2.gz RNLLUQGHPJXTKU-CJNGLKHVSA-N 2 0 329.410 3.035 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809421 1319957468 /nfs/dbraw/zinc/95/74/68/1319957468.db2.gz AFUMDUOAJRHGKY-YJBOKZPZSA-N 2 0 347.503 3.408 20 0 EGADRP Fc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)c(F)c1 ZINC000820810043 1319958931 /nfs/dbraw/zinc/95/89/31/1319958931.db2.gz NMJDJGYDHDIIFN-DUZACMNTSA-N 2 0 347.453 3.291 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000820828821 1319963326 /nfs/dbraw/zinc/96/33/26/1319963326.db2.gz BYCIDACBUCQOMW-APWZRJJASA-N 2 0 332.488 3.475 20 0 EGADRP C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000821767402 1320031014 /nfs/dbraw/zinc/03/10/14/1320031014.db2.gz MVTMPTOPVSGWQU-INIZCTEOSA-N 2 0 348.450 3.157 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000840001287 1321011906 /nfs/dbraw/zinc/01/19/06/1321011906.db2.gz ZBHICSLHAUMIGB-UXHICEINSA-N 2 0 347.547 3.035 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1F ZINC000841032409 1321204767 /nfs/dbraw/zinc/20/47/67/1321204767.db2.gz BTLWBYMBIYHLHU-HNNXBMFYSA-N 2 0 330.447 3.304 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)oc21 ZINC000841099391 1321217819 /nfs/dbraw/zinc/21/78/19/1321217819.db2.gz JUXYHMDDPOIRFX-PKOBYXMFSA-N 2 0 344.455 3.160 20 0 EGADRP COC(=O)Cc1ccccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212937 1328947075 /nfs/dbraw/zinc/94/70/75/1328947075.db2.gz RVEBHVRGPNMGPQ-UHFFFAOYSA-N 2 0 340.467 3.096 20 0 EGADRP CC[N@H+](C[C@@H](O)c1ccc(C)cc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000842473178 1321393429 /nfs/dbraw/zinc/39/34/29/1321393429.db2.gz QKCVXORCDIRKRH-PZJWPPBQSA-N 2 0 342.483 3.101 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055145 1321462910 /nfs/dbraw/zinc/46/29/10/1321462910.db2.gz TVFZBYFOJBAUQC-UHFFFAOYSA-N 2 0 348.441 3.469 20 0 EGADRP CC(C)n1ncc2cc(C[NH+]3CCC([C@H](C)[NH3+])CC3)c(Cl)nc21 ZINC000843053474 1321463102 /nfs/dbraw/zinc/46/31/02/1321463102.db2.gz YKFNOUKOGKQZSC-LBPRGKRZSA-N 2 0 335.883 3.225 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000843053740 1321463218 /nfs/dbraw/zinc/46/32/18/1321463218.db2.gz HLDGWRRMQTZHGM-AQDPXUSMSA-N 2 0 330.472 3.089 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843349262 1321503702 /nfs/dbraw/zinc/50/37/02/1321503702.db2.gz PTKIMJAHGKCIJT-OAHLLOKOSA-N 2 0 325.456 3.098 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843388250 1321509303 /nfs/dbraw/zinc/50/93/03/1321509303.db2.gz ZCQFSQRDDPEFPZ-INIZCTEOSA-N 2 0 337.467 3.242 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000843389481 1321510439 /nfs/dbraw/zinc/51/04/39/1321510439.db2.gz YFGAPMPUCGDOON-AEFFLSMTSA-N 2 0 345.874 3.216 20 0 EGADRP COc1cccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)oc21 ZINC000844909437 1321656898 /nfs/dbraw/zinc/65/68/98/1321656898.db2.gz BZAWMDUUNQOIOX-SZVBFZGTSA-N 2 0 344.455 3.302 20 0 EGADRP [NH3+]CCCCCCN1CCOc2ccc(Br)cc2C1 ZINC000846224318 1321777289 /nfs/dbraw/zinc/77/72/89/1321777289.db2.gz UFHNEQYSUWRUMJ-UHFFFAOYSA-N 2 0 327.266 3.163 20 0 EGADRP C[NH+](C)C1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC1 ZINC000846483903 1321789159 /nfs/dbraw/zinc/78/91/59/1321789159.db2.gz YDZQYVBITKTRAX-UHFFFAOYSA-N 2 0 347.528 3.297 20 0 EGADRP C([C@@H]1CCCO1)N1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000848531283 1321970766 /nfs/dbraw/zinc/97/07/66/1321970766.db2.gz NKVUCOIPWBQPRX-MNLRITNHSA-N 2 0 349.563 3.017 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000848894847 1322033982 /nfs/dbraw/zinc/03/39/82/1322033982.db2.gz PQTNFFGBUGIRHN-SIFUEBAJSA-N 2 0 334.460 3.210 20 0 EGADRP CC(C)CCNC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000848989810 1322056383 /nfs/dbraw/zinc/05/63/83/1322056383.db2.gz BZMJYPOCIXRCDN-PKOBYXMFSA-N 2 0 330.520 3.447 20 0 EGADRP CCCC[N@H+](C)CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849082975 1322070856 /nfs/dbraw/zinc/07/08/56/1322070856.db2.gz HHACITZIQREVPD-UHFFFAOYSA-N 2 0 332.370 3.253 20 0 EGADRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083508 1322070914 /nfs/dbraw/zinc/07/09/14/1322070914.db2.gz VUVFZPRCDBOSJW-NSHDSACASA-N 2 0 342.365 3.006 20 0 EGADRP CCCC[N@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849100084 1322078437 /nfs/dbraw/zinc/07/84/37/1322078437.db2.gz ZMBLZXXTBXVDQR-UHFFFAOYSA-N 2 0 330.398 3.051 20 0 EGADRP CCc1cccc(CC)c1NC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000849104845 1322080109 /nfs/dbraw/zinc/08/01/09/1322080109.db2.gz YUOQBCMWSJCCRQ-MRXNPFEDSA-N 2 0 346.519 3.249 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000849106021 1322080489 /nfs/dbraw/zinc/08/04/89/1322080489.db2.gz PDYIBQJYBOIBSB-DJIMGWMZSA-N 2 0 334.895 3.184 20 0 EGADRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000849108234 1322080966 /nfs/dbraw/zinc/08/09/66/1322080966.db2.gz MMKFEHLNGOQOHC-INIZCTEOSA-N 2 0 345.535 3.162 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=[NH2+])NC2CCC2)C1 ZINC000849110996 1322082474 /nfs/dbraw/zinc/08/24/74/1322082474.db2.gz RIGODOFXFCLBQJ-IYBDPMFKSA-N 2 0 328.504 3.331 20 0 EGADRP C[N@H+](CCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000849116770 1322084995 /nfs/dbraw/zinc/08/49/95/1322084995.db2.gz WSXUCOXUSJIKAA-UHFFFAOYSA-N 2 0 344.381 3.396 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)C1 ZINC000921496535 1322329317 /nfs/dbraw/zinc/32/93/17/1322329317.db2.gz WDYXRYCNNZJWKP-RBUKOAKNSA-N 2 0 334.529 3.283 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC000922388979 1322516584 /nfs/dbraw/zinc/51/65/84/1322516584.db2.gz SQVNJDUBSRGASM-BDXSIMOUSA-N 2 0 340.870 3.048 20 0 EGADRP [NH3+]CC[C@H]1CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000923482788 1322760088 /nfs/dbraw/zinc/76/00/88/1322760088.db2.gz UOYIZPMBYVXLMS-LPHOPBHVSA-N 2 0 348.450 3.497 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000924570540 1323058689 /nfs/dbraw/zinc/05/86/89/1323058689.db2.gz OZSROOWPMJJQRJ-UGSOOPFHSA-N 2 0 349.494 3.290 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(-c2ccccc2)no1 ZINC000924658761 1323098377 /nfs/dbraw/zinc/09/83/77/1323098377.db2.gz MOTNRNCCTGYGIC-QGZVFWFLSA-N 2 0 342.487 3.020 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924675485 1323107119 /nfs/dbraw/zinc/10/71/19/1323107119.db2.gz POAWVHJOJXRCGS-MRXNPFEDSA-N 2 0 345.531 3.436 20 0 EGADRP C[C@@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cnn(C)n1 ZINC000924730233 1323137675 /nfs/dbraw/zinc/13/76/75/1323137675.db2.gz MGGZLYTYBZJZKQ-MRXNPFEDSA-N 2 0 341.503 3.430 20 0 EGADRP C[C@H](NCc1ccccc1OCC[NH+](C)C)c1cccc2c1OCO2 ZINC000924863085 1323192353 /nfs/dbraw/zinc/19/23/53/1323192353.db2.gz UOZJEHUEVXAAPF-HNNXBMFYSA-N 2 0 342.439 3.207 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000924962162 1323228067 /nfs/dbraw/zinc/22/80/67/1323228067.db2.gz ZSVVSXYSEUDWKZ-NHCUHLMSSA-N 2 0 340.515 3.373 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)C1 ZINC000853061739 1323271575 /nfs/dbraw/zinc/27/15/75/1323271575.db2.gz FTMJSZVNJLIQOQ-LAUBAEHRSA-N 2 0 339.483 3.137 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[NH2+]C(C)(C)C ZINC000931295939 1329087905 /nfs/dbraw/zinc/08/79/05/1329087905.db2.gz WTHUJAIGWICBGV-UHFFFAOYSA-N 2 0 349.544 3.261 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024437834 1323398580 /nfs/dbraw/zinc/39/85/80/1323398580.db2.gz WXZDWNPSKMXHIB-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440284 1323403083 /nfs/dbraw/zinc/40/30/83/1323403083.db2.gz MLKFLZISPQUUNE-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCCC2)CC[N@@H+]1C ZINC001024446659 1323406524 /nfs/dbraw/zinc/40/65/24/1323406524.db2.gz HURZEEQGAPFGSM-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024467782 1323423572 /nfs/dbraw/zinc/42/35/72/1323423572.db2.gz HCFJENDUWLBYGG-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618863 1323547793 /nfs/dbraw/zinc/54/77/93/1323547793.db2.gz ZDXMJMDQWUFUPJ-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024692601 1323609749 /nfs/dbraw/zinc/60/97/49/1323609749.db2.gz PJRAUZKPJIGZGQ-OALUTQOASA-N 2 0 335.536 3.186 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001024801236 1323704551 /nfs/dbraw/zinc/70/45/51/1323704551.db2.gz LMMMILBAXPLLAS-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024812712 1323715308 /nfs/dbraw/zinc/71/53/08/1323715308.db2.gz ROCXXCAWOAWYPS-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)o1 ZINC001024820243 1323725109 /nfs/dbraw/zinc/72/51/09/1323725109.db2.gz XFYSBZMWMGQMEA-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP Cc1c(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)ccc2c[nH+]cn21 ZINC001025007094 1323824103 /nfs/dbraw/zinc/82/41/03/1323824103.db2.gz JOHKFCBOKZHHFX-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025168402 1323937600 /nfs/dbraw/zinc/93/76/00/1323937600.db2.gz BZXAJFGOVQIXOY-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001025168430 1323937705 /nfs/dbraw/zinc/93/77/05/1323937705.db2.gz DLPMVQVSARGAOA-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CCC1CC1)C1CCC1 ZINC001025240340 1324035077 /nfs/dbraw/zinc/03/50/77/1324035077.db2.gz NMSRAECHGVPIIT-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247417 1324047309 /nfs/dbraw/zinc/04/73/09/1324047309.db2.gz KUMQADQOASHNEK-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275071 1324094679 /nfs/dbraw/zinc/09/46/79/1324094679.db2.gz RYZNRSAAJGYDNI-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1C[NH+](C)C ZINC001025300843 1324133835 /nfs/dbraw/zinc/13/38/35/1324133835.db2.gz GIJDESBGGQURPI-WOJBJXKFSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025517480 1324361393 /nfs/dbraw/zinc/36/13/93/1324361393.db2.gz ZXHYKTINFQAOIV-IAGOWNOFSA-N 2 0 347.503 3.138 20 0 EGADRP CC(C)[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494398 1324847792 /nfs/dbraw/zinc/84/77/92/1324847792.db2.gz NBBBMBFLJNUUOP-AOCRQIFASA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026516372 1324862837 /nfs/dbraw/zinc/86/28/37/1324862837.db2.gz ZRDCGVXQQPVVND-SOAGJPPSSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026571813 1324904883 /nfs/dbraw/zinc/90/48/83/1324904883.db2.gz NEFVGQLHBPCZMY-ACBHZAAOSA-N 2 0 335.536 3.066 20 0 EGADRP CC1CC[NH+](CC(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)CC1 ZINC001026582672 1324910763 /nfs/dbraw/zinc/91/07/63/1324910763.db2.gz SHHDRQWFSSTOGN-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]([NH2+]CCCOCC1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925119783 1325053103 /nfs/dbraw/zinc/05/31/03/1325053103.db2.gz SUDPWNURLCRQQZ-QGZVFWFLSA-N 2 0 334.504 3.232 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000925157311 1325068945 /nfs/dbraw/zinc/06/89/45/1325068945.db2.gz QRBYDDIGVBEYTE-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000925231012 1325089555 /nfs/dbraw/zinc/08/95/55/1325089555.db2.gz ALEKHZYPNYJYDM-GOSISDBHSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925438332 1325150605 /nfs/dbraw/zinc/15/06/05/1325150605.db2.gz XIELEGGXODCMKW-FGTMMUONSA-N 2 0 348.531 3.454 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364414 1325165324 /nfs/dbraw/zinc/16/53/24/1325165324.db2.gz CCWQAOAGRDEGRZ-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925471244 1325165701 /nfs/dbraw/zinc/16/57/01/1325165701.db2.gz BBNXPQFUOCCDID-PMACEKPBSA-N 2 0 349.563 3.172 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000925536725 1325198154 /nfs/dbraw/zinc/19/81/54/1325198154.db2.gz QSXFXQSEFKLPAI-NRFANRHFSA-N 2 0 334.467 3.485 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001027070443 1325202183 /nfs/dbraw/zinc/20/21/83/1325202183.db2.gz QZPNEWFBJWSOFK-PXNSSMCTSA-N 2 0 345.531 3.088 20 0 EGADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925555415 1325207133 /nfs/dbraw/zinc/20/71/33/1325207133.db2.gz FWGMGNJRHIVFAI-IBGZPJMESA-N 3 0 347.934 3.426 20 0 EGADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925602564 1325228770 /nfs/dbraw/zinc/22/87/70/1325228770.db2.gz WHTYBQZWTPCVFD-BCMQRBDUSA-N 2 0 332.513 3.009 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c2ncnn21 ZINC000925616064 1325231571 /nfs/dbraw/zinc/23/15/71/1325231571.db2.gz QAYBOIKILCVYJU-ZAWLATJESA-N 2 0 339.487 3.174 20 0 EGADRP Cc1nonc1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925617570 1325232468 /nfs/dbraw/zinc/23/24/68/1325232468.db2.gz XJSGNUGHVKKKBW-MPGHIAIKSA-N 2 0 328.460 3.329 20 0 EGADRP C[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]C2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631102 1325239842 /nfs/dbraw/zinc/23/98/42/1325239842.db2.gz UQPNCRKRJALJHQ-XOKHGSTOSA-N 2 0 339.886 3.202 20 0 EGADRP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925646802 1325246645 /nfs/dbraw/zinc/24/66/45/1325246645.db2.gz WQJOVMYZHLYJJQ-DLBZAZTESA-N 2 0 347.469 3.019 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000925673249 1325258076 /nfs/dbraw/zinc/25/80/76/1325258076.db2.gz BRKWOTMNTBEIKL-PHDAOHEYSA-N 2 0 330.863 3.131 20 0 EGADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925705469 1325266098 /nfs/dbraw/zinc/26/60/98/1325266098.db2.gz CDQCGPWFPMMPFQ-TUFLPTIASA-N 2 0 328.500 3.317 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925714938 1325266849 /nfs/dbraw/zinc/26/68/49/1325266849.db2.gz ZPGJCVCJOQNRPH-QAPCUYQASA-N 2 0 333.907 3.431 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925799658 1325305531 /nfs/dbraw/zinc/30/55/31/1325305531.db2.gz AQTYQIJQALCHIG-RBSFLKMASA-N 2 0 344.425 3.111 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872495 1325337396 /nfs/dbraw/zinc/33/73/96/1325337396.db2.gz VDDIQJHUCBGJCS-DBXWQHBBSA-N 2 0 335.451 3.305 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963861519 1325414657 /nfs/dbraw/zinc/41/46/57/1325414657.db2.gz WQHWLCZXTVPSRG-UHFFFAOYSA-N 2 0 347.547 3.188 20 0 EGADRP COc1ccnc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000926325384 1325515856 /nfs/dbraw/zinc/51/58/56/1325515856.db2.gz LRQOYLRYKCIESO-FUHWJXTLSA-N 2 0 325.456 3.263 20 0 EGADRP C[S@@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000926358294 1325525767 /nfs/dbraw/zinc/52/57/67/1325525767.db2.gz PIUONIMYCSDEDY-YGHRPCRPSA-N 2 0 346.540 3.073 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027432684 1327671280 /nfs/dbraw/zinc/67/12/80/1327671280.db2.gz HZTBIDYLPMRWNM-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@H+](C)CC3CCCCCC3)C2)CCC1 ZINC001027440497 1327678675 /nfs/dbraw/zinc/67/86/75/1327678675.db2.gz IFOXAEUSGQYJTC-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449414 1327688831 /nfs/dbraw/zinc/68/88/31/1327688831.db2.gz ZYVQMNVZACDCLF-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001027459748 1327703436 /nfs/dbraw/zinc/70/34/36/1327703436.db2.gz ARPXMPBVXXMSBF-WOJBJXKFSA-N 2 0 345.531 3.066 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001027461565 1327708047 /nfs/dbraw/zinc/70/80/47/1327708047.db2.gz MZQFTZHLEAOWCV-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466840 1327720392 /nfs/dbraw/zinc/72/03/92/1327720392.db2.gz YHHBGJKXGBXBCE-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000927036816 1327826747 /nfs/dbraw/zinc/82/67/47/1327826747.db2.gz GQSUQVKSBDSMPS-UHFFFAOYSA-N 2 0 328.504 3.047 20 0 EGADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000927039204 1327827933 /nfs/dbraw/zinc/82/79/33/1327827933.db2.gz TWCCZXLEOJAWDT-IQNGYNMSSA-N 2 0 330.520 3.128 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CC2)C1 ZINC001027648782 1328028516 /nfs/dbraw/zinc/02/85/16/1328028516.db2.gz ZPTWVCYCHDKHQE-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027878508 1328341805 /nfs/dbraw/zinc/34/18/05/1328341805.db2.gz DBEZXWAUIATXRP-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884491 1328352151 /nfs/dbraw/zinc/35/21/51/1328352151.db2.gz ADPDNEFXNKWUBJ-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027919225 1328397476 /nfs/dbraw/zinc/39/74/76/1328397476.db2.gz UKMFKXYLYJXTQG-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027971574 1328443538 /nfs/dbraw/zinc/44/35/38/1328443538.db2.gz HPNWOBDHVDQQMT-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001027972364 1328444565 /nfs/dbraw/zinc/44/45/65/1328444565.db2.gz UEEWOIGIJGOSIK-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027971831 1328445009 /nfs/dbraw/zinc/44/50/09/1328445009.db2.gz MWTNCVBQYJPKHP-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027973011 1328447687 /nfs/dbraw/zinc/44/76/87/1328447687.db2.gz ZYXREMYDAMKCAT-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000863542105 1329561799 /nfs/dbraw/zinc/56/17/99/1329561799.db2.gz FQZIUBMFZNAIGU-HSALFYBXSA-N 2 0 329.488 3.070 20 0 EGADRP Cc1c(Cl)cccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000865438918 1329697572 /nfs/dbraw/zinc/69/75/72/1329697572.db2.gz KXEKKUPNRRFOAC-UHFFFAOYSA-N 2 0 335.923 3.297 20 0 EGADRP COc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1C(C)(C)C ZINC000865450113 1329699198 /nfs/dbraw/zinc/69/91/98/1329699198.db2.gz HTSKTPPOWLHOJU-UHFFFAOYSA-N 2 0 347.547 3.110 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CC[NH2+]C(C)(C)C)cc2)C1 ZINC000933918850 1329933561 /nfs/dbraw/zinc/93/35/61/1329933561.db2.gz WSABGGLXINWGHI-MRXNPFEDSA-N 2 0 347.503 3.124 20 0 EGADRP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000866306878 1330093899 /nfs/dbraw/zinc/09/38/99/1330093899.db2.gz OFOOWGZUWVVWDR-WMQCIHAUSA-N 2 0 330.516 3.284 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000866306285 1330093963 /nfs/dbraw/zinc/09/39/63/1330093963.db2.gz DASCMBHDLSONFH-HSALFYBXSA-N 2 0 332.463 3.171 20 0 EGADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000939064162 1330367500 /nfs/dbraw/zinc/36/75/00/1330367500.db2.gz RRUQBRQNWKPYDV-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940779635 1331190579 /nfs/dbraw/zinc/19/05/79/1331190579.db2.gz FUQSFEMFRXWFSR-HNNXBMFYSA-N 2 0 337.533 3.048 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC000943757060 1332255308 /nfs/dbraw/zinc/25/53/08/1332255308.db2.gz ZYFSOTHFUXJFNH-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)C)C[C@H]2C)o1 ZINC000945337247 1332560427 /nfs/dbraw/zinc/56/04/27/1332560427.db2.gz VJWWEOBLOZNTOX-AEFFLSMTSA-N 2 0 349.519 3.218 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946709970 1332881724 /nfs/dbraw/zinc/88/17/24/1332881724.db2.gz DJVIDBJCUXZKKL-QRVBRYPASA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC1CCCC1 ZINC000947498561 1333148001 /nfs/dbraw/zinc/14/80/01/1333148001.db2.gz VYRHOKCFCAUNJY-IEBWSBKVSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1=CCCCC1 ZINC000947780193 1333259654 /nfs/dbraw/zinc/25/96/54/1333259654.db2.gz XGZUVWRVPZIQCK-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@H](C)C2)CC1 ZINC000947851814 1333279238 /nfs/dbraw/zinc/27/92/38/1333279238.db2.gz AVQUTPLTLUUOBK-QUCCMNQESA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056597 1333357695 /nfs/dbraw/zinc/35/76/95/1333357695.db2.gz LTDUVXOOLALZBG-YLJYHZDGSA-N 2 0 343.515 3.297 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC000948385671 1333503882 /nfs/dbraw/zinc/50/38/82/1333503882.db2.gz NYCNVRGQKOUTNZ-MISYRCLQSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948416671 1333516903 /nfs/dbraw/zinc/51/69/03/1333516903.db2.gz MALDUUGQYWSZKQ-OALUTQOASA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440025 1333526576 /nfs/dbraw/zinc/52/65/76/1333526576.db2.gz ZQYPOIBRMVROJR-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948553826 1333572316 /nfs/dbraw/zinc/57/23/16/1333572316.db2.gz LWLMYVYEYQLPPD-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553571 1333572770 /nfs/dbraw/zinc/57/27/70/1333572770.db2.gz ITXNIVRWGGBUEH-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621473 1333600842 /nfs/dbraw/zinc/60/08/42/1333600842.db2.gz QOLXMJMISZRTFN-SJORKVTESA-N 2 0 346.450 3.009 20 0 EGADRP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948725621 1333648082 /nfs/dbraw/zinc/64/80/82/1333648082.db2.gz CIHPQZFUKUOTBK-SFHVURJKSA-N 2 0 347.503 3.068 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948776080 1333674414 /nfs/dbraw/zinc/67/44/14/1333674414.db2.gz YTRUPHFAEXCCHW-UYAOXDASSA-N 2 0 347.547 3.284 20 0 EGADRP CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000948936364 1333740885 /nfs/dbraw/zinc/74/08/85/1333740885.db2.gz ORSKCGOVBLIHII-FQEVSTJZSA-N 2 0 348.450 3.074 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000949117611 1333780482 /nfs/dbraw/zinc/78/04/82/1333780482.db2.gz AQJBLNNCMRJONF-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CCC(CC)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000949824762 1333933870 /nfs/dbraw/zinc/93/38/70/1333933870.db2.gz OBVQLKFGESCBGI-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1C[NH+](CCC(C)C)C1 ZINC000950331788 1334043549 /nfs/dbraw/zinc/04/35/49/1334043549.db2.gz VSEZNAGNXVMVPL-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CCC3CCCC3)C2)C1 ZINC000951214566 1334209840 /nfs/dbraw/zinc/20/98/40/1334209840.db2.gz MBAVHEVNNNSKSG-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951628647 1334281416 /nfs/dbraw/zinc/28/14/16/1334281416.db2.gz YEPKHJKMVGBLPP-VQTJNVASSA-N 2 0 347.547 3.118 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000952443814 1334460799 /nfs/dbraw/zinc/46/07/99/1334460799.db2.gz DAPZZUFPKVLXPM-AZUAARDMSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266059 1335681664 /nfs/dbraw/zinc/68/16/64/1335681664.db2.gz ZIOBCIXEYYZJHE-HNAYVOBHSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000967398726 1335726198 /nfs/dbraw/zinc/72/61/98/1335726198.db2.gz ZYJRZWQFDZIFOG-CRAIPNDOSA-N 2 0 342.487 3.211 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCCCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968192270 1335868359 /nfs/dbraw/zinc/86/83/59/1335868359.db2.gz PXIDITZLDPEBRY-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968193999 1335869080 /nfs/dbraw/zinc/86/90/80/1335869080.db2.gz XLWUZORAAZKTCN-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968331959 1335892139 /nfs/dbraw/zinc/89/21/39/1335892139.db2.gz SNHARYFBLOFYGU-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)Cn1ccnc1 ZINC000968702858 1336017595 /nfs/dbraw/zinc/01/75/95/1336017595.db2.gz POVCCKATEXDVNN-IEBWSBKVSA-N 2 0 346.519 3.070 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968849955 1336067631 /nfs/dbraw/zinc/06/76/31/1336067631.db2.gz KTPWETSCRITJAO-MOPGFXCFSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968849958 1336067876 /nfs/dbraw/zinc/06/78/76/1336067876.db2.gz KTPWETSCRITJAO-RTBURBONSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1cccc(Cl)c1 ZINC000968904529 1336085221 /nfs/dbraw/zinc/08/52/21/1336085221.db2.gz SYULHFKKXIZCED-RHSMWYFYSA-N 2 0 349.906 3.076 20 0 EGADRP CC1(C)CC(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000968916014 1336087322 /nfs/dbraw/zinc/08/73/22/1336087322.db2.gz WMKRTEJGWHFJEL-MJGOQNOKSA-N 2 0 347.547 3.020 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968916135 1336087409 /nfs/dbraw/zinc/08/74/09/1336087409.db2.gz XGKSZVMHDMZLIE-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000969059675 1336133098 /nfs/dbraw/zinc/13/30/98/1336133098.db2.gz QJQIGOPJWPKOIH-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000969156139 1336165049 /nfs/dbraw/zinc/16/50/49/1336165049.db2.gz KTNFNTFQOMIELW-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156597 1336165674 /nfs/dbraw/zinc/16/56/74/1336165674.db2.gz XJSUANIWEOSVPQ-SFHVURJKSA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000969829277 1336251941 /nfs/dbraw/zinc/25/19/41/1336251941.db2.gz BJKYJHMFOGEOCP-OXQOHEQNSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000970164730 1336287256 /nfs/dbraw/zinc/28/72/56/1336287256.db2.gz WMYNKQSNOAHCJM-CVEARBPZSA-N 2 0 348.450 3.146 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000970324968 1336294939 /nfs/dbraw/zinc/29/49/39/1336294939.db2.gz BCXWDUJNMCRJPA-JXFKEZNVSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000970788641 1336337625 /nfs/dbraw/zinc/33/76/25/1336337625.db2.gz QQPHRTWPKQRUCV-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001005585340 1336376365 /nfs/dbraw/zinc/37/63/65/1336376365.db2.gz RVDXSBQCEKOGPV-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005645146 1336386940 /nfs/dbraw/zinc/38/69/40/1336386940.db2.gz UBKHLEFGVVXLIJ-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001006084217 1336449987 /nfs/dbraw/zinc/44/99/87/1336449987.db2.gz PUEUIDGLYBQLFW-QLOJAFMTSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001006085869 1336450398 /nfs/dbraw/zinc/45/03/98/1336450398.db2.gz GCYCWMLRHWPNKP-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006274848 1336480051 /nfs/dbraw/zinc/48/00/51/1336480051.db2.gz MTDAXKSQNNABDF-QGZVFWFLSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006291679 1336484147 /nfs/dbraw/zinc/48/41/47/1336484147.db2.gz HUIUEMCKKYDWKH-MSOLQXFVSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006398818 1336499174 /nfs/dbraw/zinc/49/91/74/1336499174.db2.gz GBLPBOZIVVHAGV-QUCCMNQESA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006443413 1336506940 /nfs/dbraw/zinc/50/69/40/1336506940.db2.gz CTVKPTGTMRTJLA-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006444851 1336507592 /nfs/dbraw/zinc/50/75/92/1336507592.db2.gz XAMFAUHGVIUPTI-CALCHBBNSA-N 2 0 337.552 3.218 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001006445599 1336507632 /nfs/dbraw/zinc/50/76/32/1336507632.db2.gz LJVNPXKZQJTYMX-SFHVURJKSA-N 2 0 349.544 3.045 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001007498048 1336657792 /nfs/dbraw/zinc/65/77/92/1336657792.db2.gz YSEKXXBBWGLRQK-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007501193 1336658985 /nfs/dbraw/zinc/65/89/85/1336658985.db2.gz WMECXOVLJRPEFX-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007797406 1336702685 /nfs/dbraw/zinc/70/26/85/1336702685.db2.gz ADBLMRZSPOAJPB-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053491 1336759768 /nfs/dbraw/zinc/75/97/68/1336759768.db2.gz USQFUVSVGZJFGC-PKOBYXMFSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008164151 1336783036 /nfs/dbraw/zinc/78/30/36/1336783036.db2.gz RPSZRZJUJDDNNU-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278786 1336813026 /nfs/dbraw/zinc/81/30/26/1336813026.db2.gz YPYCITWDUBAVTD-ICSRJNTNSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001008529705 1336876597 /nfs/dbraw/zinc/87/65/97/1336876597.db2.gz GEWAWAVYWWHZOW-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001008771951 1336923529 /nfs/dbraw/zinc/92/35/29/1336923529.db2.gz WOGDQXHFHWOMRX-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cnc1Br ZINC001206324853 1371023954 /nfs/dbraw/zinc/02/39/54/1371023954.db2.gz DWCSZIQNPYIVFG-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001014425204 1337774055 /nfs/dbraw/zinc/77/40/55/1337774055.db2.gz NZRIIWCUXYOPEW-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001015499126 1338160451 /nfs/dbraw/zinc/16/04/51/1338160451.db2.gz NXEJSOAKVFOESB-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603314 1338204841 /nfs/dbraw/zinc/20/48/41/1338204841.db2.gz RCOHCAJCNCJTSN-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710781 1338271120 /nfs/dbraw/zinc/27/11/20/1338271120.db2.gz RTCPHXSNZRXSDX-OALUTQOASA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251393 1338524715 /nfs/dbraw/zinc/52/47/15/1338524715.db2.gz LJUULKVKBFFTQB-ROUUACIJSA-N 2 0 349.906 3.077 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016250651 1338525077 /nfs/dbraw/zinc/52/50/77/1338525077.db2.gz DYONKGXIOBAFGX-XLIONFOSSA-N 2 0 343.515 3.157 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001016339372 1338555810 /nfs/dbraw/zinc/55/58/10/1338555810.db2.gz PTIBSEOHJJPXAL-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001016339666 1338555922 /nfs/dbraw/zinc/55/59/22/1338555922.db2.gz QSUAZGLKBNNKFG-IBGZPJMESA-N 2 0 341.499 3.053 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001016340278 1338556036 /nfs/dbraw/zinc/55/60/36/1338556036.db2.gz WFBLDBLTSKEAFU-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623568 1338668114 /nfs/dbraw/zinc/66/81/14/1338668114.db2.gz FAFWDKZDBCVSID-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016644233 1338674550 /nfs/dbraw/zinc/67/45/50/1338674550.db2.gz YAJKLQDGHIFQOF-INIZCTEOSA-N 2 0 349.544 3.050 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016651420 1338678915 /nfs/dbraw/zinc/67/89/15/1338678915.db2.gz HHWNPHCNNVZGPO-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862283 1338751415 /nfs/dbraw/zinc/75/14/15/1338751415.db2.gz VIXZPRQGEVVCBH-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016906576 1338765315 /nfs/dbraw/zinc/76/53/15/1338765315.db2.gz LTKOWJFKGFNUGI-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016984546 1338792386 /nfs/dbraw/zinc/79/23/86/1338792386.db2.gz DYXMYRFIEDFZKF-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017152018 1338902043 /nfs/dbraw/zinc/90/20/43/1338902043.db2.gz KDMQYNJCPJLTNZ-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCC3)C2)CC1 ZINC001017243329 1338974614 /nfs/dbraw/zinc/97/46/14/1338974614.db2.gz ITGVVSFUMDPXFR-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659583 1339385904 /nfs/dbraw/zinc/38/59/04/1339385904.db2.gz WMBRYZZEUGWWHR-AKHDSKFASA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018838272 1339736322 /nfs/dbraw/zinc/73/63/22/1339736322.db2.gz WXYXDVQGGRMNLR-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254407 1340513852 /nfs/dbraw/zinc/51/38/52/1340513852.db2.gz UEQJIXOMBKISJH-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001028552166 1340697209 /nfs/dbraw/zinc/69/72/09/1340697209.db2.gz IFQNLAGRMDOGAN-HSALFYBXSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001028635812 1340737771 /nfs/dbraw/zinc/73/77/71/1340737771.db2.gz GUGOVUJLHSHIJX-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029114285 1340933358 /nfs/dbraw/zinc/93/33/58/1340933358.db2.gz WXUURFSUTIOZBT-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001029144138 1340942111 /nfs/dbraw/zinc/94/21/11/1340942111.db2.gz BTRKSWSJLNDICH-XLIONFOSSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001029145631 1340942585 /nfs/dbraw/zinc/94/25/85/1340942585.db2.gz BXYCDPSADKSYQU-QZTJIDSGSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CC3CCC3)CC2)CC1 ZINC001029162953 1340946125 /nfs/dbraw/zinc/94/61/25/1340946125.db2.gz IDPNLNNVCOKTDH-KRWDZBQOSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029169179 1340947611 /nfs/dbraw/zinc/94/76/11/1340947611.db2.gz BZBQQJBBLPHUPE-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029344083 1340974882 /nfs/dbraw/zinc/97/48/82/1340974882.db2.gz GNLUELOKGZVHRS-SLFFLAALSA-N 2 0 345.531 3.036 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001029550622 1341010674 /nfs/dbraw/zinc/01/06/74/1341010674.db2.gz SCEKWPRFTPFWHD-CEXWTWQISA-N 2 0 335.536 3.116 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001029553631 1341011261 /nfs/dbraw/zinc/01/12/61/1341011261.db2.gz XCPANTXBGQBIAD-ZSYWTGECSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001029597858 1341018952 /nfs/dbraw/zinc/01/89/52/1341018952.db2.gz MOEXJBLFTGUBBY-OTWHNJEPSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCC3)C2)C1 ZINC001029816676 1341084832 /nfs/dbraw/zinc/08/48/32/1341084832.db2.gz LWTNZUFHZKZILT-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCC3)C2)C1 ZINC001029816674 1341085026 /nfs/dbraw/zinc/08/50/26/1341085026.db2.gz LWTNZUFHZKZILT-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001029886678 1341105034 /nfs/dbraw/zinc/10/50/34/1341105034.db2.gz IBUGORARYCENMQ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)CC1CCC(C)(C)CC1 ZINC001029905649 1341111196 /nfs/dbraw/zinc/11/11/96/1341111196.db2.gz QYPXBFWTBAUIOI-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH+](C)CC2CC(C)(C)C2)CC1 ZINC001029995788 1341151025 /nfs/dbraw/zinc/15/10/25/1341151025.db2.gz YVTUTJYYGWENSX-KRWDZBQOSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH+](C)CC2=CCCCC2)CC1 ZINC001029995141 1341151181 /nfs/dbraw/zinc/15/11/81/1341151181.db2.gz AJIOSXGWFVAYHH-SFHVURJKSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001030013762 1341158044 /nfs/dbraw/zinc/15/80/44/1341158044.db2.gz SHDUIVNSEOOADT-GOSISDBHSA-N 2 0 343.515 3.014 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031715102 1341392052 /nfs/dbraw/zinc/39/20/52/1341392052.db2.gz PWFFIFAVXZVIDE-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766738 1341399106 /nfs/dbraw/zinc/39/91/06/1341399106.db2.gz MLFIIVOEAYNFRK-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042762 1341444540 /nfs/dbraw/zinc/44/45/40/1341444540.db2.gz JPTXYNVVZSKQLK-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCC1 ZINC001032663874 1341575790 /nfs/dbraw/zinc/57/57/90/1341575790.db2.gz HCGKRKYQEOGHFG-UFYCRDLUSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1)[NH+]1CCCCCC1 ZINC001032664545 1341575927 /nfs/dbraw/zinc/57/59/27/1341575927.db2.gz HJOPLDCJVGSOKB-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033145902 1341739290 /nfs/dbraw/zinc/73/92/90/1341739290.db2.gz LOOZRLFYELDMJC-ROUUACIJSA-N 2 0 349.544 3.044 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033198725 1341750582 /nfs/dbraw/zinc/75/05/82/1341750582.db2.gz MZFHSWRIHQJCLQ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001033466635 1341837221 /nfs/dbraw/zinc/83/72/21/1341837221.db2.gz HATJBHZZXMAUEB-WMZOPIPTSA-N 2 0 349.544 3.045 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001033530454 1341860204 /nfs/dbraw/zinc/86/02/04/1341860204.db2.gz BCHYOMBBZISELH-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033684460 1341949938 /nfs/dbraw/zinc/94/99/38/1341949938.db2.gz FSQOOKFQQRDSEY-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033686493 1341951906 /nfs/dbraw/zinc/95/19/06/1341951906.db2.gz PMVGWXMXTRDQOE-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001034366665 1342436010 /nfs/dbraw/zinc/43/60/10/1342436010.db2.gz CHFMSJLRYIXYPF-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cs1 ZINC001034400906 1342466328 /nfs/dbraw/zinc/46/63/28/1342466328.db2.gz YOTULWQPJQMZHZ-CRAIPNDOSA-N 2 0 349.544 3.012 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001034431508 1342493640 /nfs/dbraw/zinc/49/36/40/1342493640.db2.gz LSVQULBPSJGSFC-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001034432211 1342494426 /nfs/dbraw/zinc/49/44/26/1342494426.db2.gz SRFOYIKLFWDKIX-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034440011 1342500871 /nfs/dbraw/zinc/50/08/71/1342500871.db2.gz YIFVQYCBBXIQLL-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445523 1342505745 /nfs/dbraw/zinc/50/57/45/1342505745.db2.gz VCUDZJMDXOLKMA-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476245 1342531484 /nfs/dbraw/zinc/53/14/84/1342531484.db2.gz BVVFTAUGAAYCET-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536442 1342592733 /nfs/dbraw/zinc/59/27/33/1342592733.db2.gz FZVLIGAINBIYSS-YLJYHZDGSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034537489 1342594952 /nfs/dbraw/zinc/59/49/52/1342594952.db2.gz CFLINYOBHRXZPB-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001034680468 1342689719 /nfs/dbraw/zinc/68/97/19/1342689719.db2.gz JPCGVJAFENNCMD-XQZJPKQNSA-N 2 0 340.471 3.011 20 0 EGADRP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034716276 1342711477 /nfs/dbraw/zinc/71/14/77/1342711477.db2.gz VTPQKTMXPNLUSG-ZHALLVOQSA-N 2 0 335.536 3.209 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034738877 1342729655 /nfs/dbraw/zinc/72/96/55/1342729655.db2.gz XBFLCTANJIOKRD-WDSOQIARSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034738852 1342730197 /nfs/dbraw/zinc/73/01/97/1342730197.db2.gz WIYBGWNYEAEHCQ-VBSBHUPXSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034817012 1342780989 /nfs/dbraw/zinc/78/09/89/1342780989.db2.gz NQDRABHGGAQCKR-HXUWFJFHSA-N 2 0 343.515 3.067 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001034973353 1342859813 /nfs/dbraw/zinc/85/98/13/1342859813.db2.gz PDSONKBGAQOXBS-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F)[NH+](C)C ZINC001035038940 1342891832 /nfs/dbraw/zinc/89/18/32/1342891832.db2.gz QITDDPTXFJYCDF-FRQCXROJSA-N 2 0 349.494 3.054 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](CC=C(C)C)C2)CC1 ZINC001035188814 1343003506 /nfs/dbraw/zinc/00/35/06/1343003506.db2.gz KSCALGOCQPCNGU-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233919 1343056501 /nfs/dbraw/zinc/05/65/01/1343056501.db2.gz OVKMIZWWBVVQAE-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035856790 1343233152 /nfs/dbraw/zinc/23/31/52/1343233152.db2.gz COBYKSHAROSOJS-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001036292752 1343400731 /nfs/dbraw/zinc/40/07/31/1343400731.db2.gz FHOVCUWYONVVAO-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036412096 1343471719 /nfs/dbraw/zinc/47/17/19/1343471719.db2.gz LNSWWBRSZDFUAG-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036412095 1343471856 /nfs/dbraw/zinc/47/18/56/1343471856.db2.gz LNSWWBRSZDFUAG-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036414522 1343472550 /nfs/dbraw/zinc/47/25/50/1343472550.db2.gz OZXJDONRSUACJI-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001036587688 1343565908 /nfs/dbraw/zinc/56/59/08/1343565908.db2.gz KTPRCNQSBSHRGX-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036599405 1343570473 /nfs/dbraw/zinc/57/04/73/1343570473.db2.gz JZLXYFZTFOVJGT-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001037017995 1343932812 /nfs/dbraw/zinc/93/28/12/1343932812.db2.gz NSBBLJBLYYMEIO-DOTOQJQBSA-N 2 0 349.544 3.098 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038321504 1344379337 /nfs/dbraw/zinc/37/93/37/1344379337.db2.gz MSMRJSCEFILXHJ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCC1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038352495 1344393399 /nfs/dbraw/zinc/39/33/99/1344393399.db2.gz ICXTXOCCMFRREG-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038405051 1344413907 /nfs/dbraw/zinc/41/39/07/1344413907.db2.gz KRLHELCQEQPBBV-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCC2)ccc2c[nH+]cn21 ZINC001038441337 1344429812 /nfs/dbraw/zinc/42/98/12/1344429812.db2.gz IADUFJHDSVTVPR-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038620255 1344508385 /nfs/dbraw/zinc/50/83/85/1344508385.db2.gz BOPOKDAYHDBVRB-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620149 1344508408 /nfs/dbraw/zinc/50/84/08/1344508408.db2.gz CDFUIVDOAUQDCC-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC2=CCCCC2)cc1 ZINC001038822715 1344598979 /nfs/dbraw/zinc/59/89/79/1344598979.db2.gz LAAHYKWLEUCEJU-HXUWFJFHSA-N 2 0 341.499 3.053 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039166854 1344852928 /nfs/dbraw/zinc/85/29/28/1344852928.db2.gz GOESQJNDKFSDLQ-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167258 1344853491 /nfs/dbraw/zinc/85/34/91/1344853491.db2.gz PXFDOPWOVCJSCS-VQTJNVASSA-N 2 0 349.563 3.218 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039183122 1344880987 /nfs/dbraw/zinc/88/09/87/1344880987.db2.gz WOVRHNIGANDEOS-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039289340 1344998526 /nfs/dbraw/zinc/99/85/26/1344998526.db2.gz RCAKQCHREYAVOQ-YGFFAISXSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039309294 1345007249 /nfs/dbraw/zinc/00/72/49/1345007249.db2.gz VNLJTYKUUAJAQQ-IHWFROFDSA-N 2 0 347.547 3.019 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001039528574 1345130981 /nfs/dbraw/zinc/13/09/81/1345130981.db2.gz PJWLJGCHLXFUKN-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039579087 1345145328 /nfs/dbraw/zinc/14/53/28/1345145328.db2.gz HZXCISRPPZLQNN-OTWHNJEPSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001039658597 1345153878 /nfs/dbraw/zinc/15/38/78/1345153878.db2.gz RTGHXNYAZGTVKI-ZCNNSNEGSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001039681925 1345158161 /nfs/dbraw/zinc/15/81/61/1345158161.db2.gz XSDOOWJNUARDKJ-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001039939541 1345252939 /nfs/dbraw/zinc/25/29/39/1345252939.db2.gz KLXNAASXROWMQZ-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040322290 1345431475 /nfs/dbraw/zinc/43/14/75/1345431475.db2.gz JEBSJDSFLUFIIE-OAQYLSRUSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040452748 1345507869 /nfs/dbraw/zinc/50/78/69/1345507869.db2.gz KHLIVWMKAWELSB-OAQYLSRUSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040487731 1345516437 /nfs/dbraw/zinc/51/64/37/1345516437.db2.gz GQKFSFXHSRNGRG-CTNGQTDRSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)CC)CC2 ZINC001040723718 1345570998 /nfs/dbraw/zinc/57/09/98/1345570998.db2.gz LDUGFYWDIOAOSC-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746588 1345573921 /nfs/dbraw/zinc/57/39/21/1345573921.db2.gz DXDGRWXLVNDPLH-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001040874660 1345592166 /nfs/dbraw/zinc/59/21/66/1345592166.db2.gz INLDZFWHNWHZMY-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040874930 1345592331 /nfs/dbraw/zinc/59/23/31/1345592331.db2.gz NAXOQXVLWVHLSL-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001040882729 1345594126 /nfs/dbraw/zinc/59/41/26/1345594126.db2.gz JGVUULWAFVJPDV-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040914223 1345599347 /nfs/dbraw/zinc/59/93/47/1345599347.db2.gz MGDMMMOCJRDUFA-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC001040948681 1345607652 /nfs/dbraw/zinc/60/76/52/1345607652.db2.gz WYHIIRNATQGHAA-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953192 1345609295 /nfs/dbraw/zinc/60/92/95/1345609295.db2.gz KUZFNDFXCYYGEC-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285969 1345694001 /nfs/dbraw/zinc/69/40/01/1345694001.db2.gz ILEUHPXXGJBKNC-OAQYLSRUSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CCCCC3)C2)C1)[NH+](C)C ZINC001041694661 1345821026 /nfs/dbraw/zinc/82/10/26/1345821026.db2.gz XGTDEHRLASEWPW-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3CC[N@H+](CCC(C)(C)C)[C@H]3C2)CC1 ZINC001042287133 1346017945 /nfs/dbraw/zinc/01/79/45/1346017945.db2.gz GDTWYNIJWDDFMO-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297101 1346021583 /nfs/dbraw/zinc/02/15/83/1346021583.db2.gz LYRVNTCLJMIEMH-AZUAARDMSA-N 2 0 349.563 3.076 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001042924777 1346125039 /nfs/dbraw/zinc/12/50/39/1346125039.db2.gz UTJAVWQEOMATKM-FQEVSTJZSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC(C)(C)C)C1 ZINC001044170833 1346265517 /nfs/dbraw/zinc/26/55/17/1346265517.db2.gz VBRGPESJNPYUPU-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)[NH+](C)C ZINC001045078398 1346490546 /nfs/dbraw/zinc/49/05/46/1346490546.db2.gz HDJXMSVTCWLHQP-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045163969 1346511936 /nfs/dbraw/zinc/51/19/36/1346511936.db2.gz CHCGRXBNKJBJCD-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045437838 1346593590 /nfs/dbraw/zinc/59/35/90/1346593590.db2.gz GFJJIBVYUIEMAV-SFHVURJKSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001045437990 1346594048 /nfs/dbraw/zinc/59/40/48/1346594048.db2.gz IFYVTTVLFKLQOT-IBGZPJMESA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045444976 1346595317 /nfs/dbraw/zinc/59/53/17/1346595317.db2.gz NEWFXEFFHFATNF-YQVWRLOYSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001045534308 1346620291 /nfs/dbraw/zinc/62/02/91/1346620291.db2.gz JGUSTIOVYAEDLH-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045647268 1346658108 /nfs/dbraw/zinc/65/81/08/1346658108.db2.gz YXNGCJCCZRHALT-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001045803529 1346702744 /nfs/dbraw/zinc/70/27/44/1346702744.db2.gz XNSNMKPCCGKGNU-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC1 ZINC001045859671 1346723723 /nfs/dbraw/zinc/72/37/23/1346723723.db2.gz GAEQNEMQVDDEFZ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001045921610 1346758346 /nfs/dbraw/zinc/75/83/46/1346758346.db2.gz PJGTXOBQBKDKQJ-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045948637 1346784288 /nfs/dbraw/zinc/78/42/88/1346784288.db2.gz NCHFHGTZVKBZCX-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045951918 1346786994 /nfs/dbraw/zinc/78/69/94/1346786994.db2.gz KJEMWFQLUARHIX-FQEVSTJZSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045960122 1346794848 /nfs/dbraw/zinc/79/48/48/1346794848.db2.gz AQRAMBUWYPUZLW-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045960121 1346795103 /nfs/dbraw/zinc/79/51/03/1346795103.db2.gz AQRAMBUWYPUZLW-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001046315284 1346931480 /nfs/dbraw/zinc/93/14/80/1346931480.db2.gz JNGRPJYSCJRSRO-FPOVZHCZSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047225664 1347256569 /nfs/dbraw/zinc/25/65/69/1347256569.db2.gz GYLCCQZNBYKUHB-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001047266342 1347287502 /nfs/dbraw/zinc/28/75/02/1347287502.db2.gz WMLXTAXNOAWXSW-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+]CC1CCC(C)(C)CC1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048056774 1347454668 /nfs/dbraw/zinc/45/46/68/1347454668.db2.gz AGJOUWGTHDJTBW-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527533 1347578697 /nfs/dbraw/zinc/57/86/97/1347578697.db2.gz ROTZOEHDIYDJAM-OBKDMQGPSA-N 2 0 349.563 3.265 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048573882 1347599903 /nfs/dbraw/zinc/59/99/03/1347599903.db2.gz HEAQNMZOSBZAAU-UHZRXMQZSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001048590748 1347609679 /nfs/dbraw/zinc/60/96/79/1347609679.db2.gz YNROLMDFHVHTNB-GGPHIMKMSA-N 2 0 343.515 3.131 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048606548 1347616581 /nfs/dbraw/zinc/61/65/81/1347616581.db2.gz SISLEEATPQNGKB-VAMGGRTRSA-N 2 0 349.563 3.173 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC001049367687 1347807905 /nfs/dbraw/zinc/80/79/05/1347807905.db2.gz ASPXRFONBVQQIJ-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001049478505 1347868405 /nfs/dbraw/zinc/86/84/05/1347868405.db2.gz PCMANKWLSMGROU-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049553490 1347905994 /nfs/dbraw/zinc/90/59/94/1347905994.db2.gz VKBXWNUTGJXCQM-SLFFLAALSA-N 2 0 345.531 3.036 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049557015 1347908251 /nfs/dbraw/zinc/90/82/51/1347908251.db2.gz FOOJXBFMNCARLL-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001079805471 1357388252 /nfs/dbraw/zinc/38/82/52/1357388252.db2.gz SFRZYACAPRQQKY-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926666 1348117663 /nfs/dbraw/zinc/11/76/63/1348117663.db2.gz QKXSCIBMEZLZCE-QZTJIDSGSA-N 2 0 347.503 3.210 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051537 1348166167 /nfs/dbraw/zinc/16/61/67/1348166167.db2.gz ZYJBCZQQIAYYGX-VNTMZGSJSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)c2occc2C[NH+](C)C)cc1 ZINC001050270295 1348223815 /nfs/dbraw/zinc/22/38/15/1348223815.db2.gz OLNWXYNNNAOZBR-HNNXBMFYSA-N 2 0 343.471 3.330 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001050302075 1348227991 /nfs/dbraw/zinc/22/79/91/1348227991.db2.gz AUVUXDKAKSSFJW-HNBVOPMISA-N 2 0 343.515 3.106 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001050374297 1348242381 /nfs/dbraw/zinc/24/23/81/1348242381.db2.gz RMGVTXBZQMJWGO-MISYRCLQSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001050389965 1348247812 /nfs/dbraw/zinc/24/78/12/1348247812.db2.gz JAYGRHVBDVRTJZ-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001050519554 1348283007 /nfs/dbraw/zinc/28/30/07/1348283007.db2.gz SHQFHQSYVJBQHJ-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001050563974 1348290535 /nfs/dbraw/zinc/29/05/35/1348290535.db2.gz MUMUVBXWIMQTOX-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC001051356344 1348442223 /nfs/dbraw/zinc/44/22/23/1348442223.db2.gz DLKKVFVTSQQUIL-UHOSZYNNSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052377072 1348535384 /nfs/dbraw/zinc/53/53/84/1348535384.db2.gz MQRCPXFTQKWCJS-GOSISDBHSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052378224 1348535730 /nfs/dbraw/zinc/53/57/30/1348535730.db2.gz UPMOZKYRIQEMTN-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001052377695 1348535856 /nfs/dbraw/zinc/53/58/56/1348535856.db2.gz QBPZLRXCLRUPNB-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052446994 1348543908 /nfs/dbraw/zinc/54/39/08/1348543908.db2.gz VHBPSLJLTLXJLZ-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447948 1348544226 /nfs/dbraw/zinc/54/42/26/1348544226.db2.gz QKYJLQRSXFYOJB-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052499568 1348560322 /nfs/dbraw/zinc/56/03/22/1348560322.db2.gz YHECPJJACGBOCL-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052712512 1348644678 /nfs/dbraw/zinc/64/46/78/1348644678.db2.gz JOZQYBHJUNAYDR-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC001052767856 1348671522 /nfs/dbraw/zinc/67/15/22/1348671522.db2.gz YRBJXPHLGJPVHK-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787963 1348679431 /nfs/dbraw/zinc/67/94/31/1348679431.db2.gz OJRWIGDWKIWELM-RBUKOAKNSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838062 1348696249 /nfs/dbraw/zinc/69/62/49/1348696249.db2.gz ZPZNAPGPBVSGJX-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052871019 1348711861 /nfs/dbraw/zinc/71/18/61/1348711861.db2.gz BGNAEWUSKMYAIM-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029973 1348829114 /nfs/dbraw/zinc/82/91/14/1348829114.db2.gz ZGTXTLQWQZJAHM-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029841 1348829302 /nfs/dbraw/zinc/82/93/02/1348829302.db2.gz WUHIFEMBQSWELY-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038662 1348840330 /nfs/dbraw/zinc/84/03/30/1348840330.db2.gz ABPDNMWPOBUCQB-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)cc2C1 ZINC001054269581 1349268080 /nfs/dbraw/zinc/26/80/80/1349268080.db2.gz FVOZIYWSOGBWEC-VQTJNVASSA-N 2 0 341.499 3.045 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001054296477 1349301454 /nfs/dbraw/zinc/30/14/54/1349301454.db2.gz NOSWXCMPJSMNQT-GUDVDZBRSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001054296302 1349301587 /nfs/dbraw/zinc/30/15/87/1349301587.db2.gz RCAGFRCEUMNUHM-SXLOBPIMSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054738245 1349450654 /nfs/dbraw/zinc/45/06/54/1349450654.db2.gz OKAIWWXPPVFVRN-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071508240 1354733891 /nfs/dbraw/zinc/73/38/91/1354733891.db2.gz LHCLWGFEYDJHMC-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CCC1CC1 ZINC001071508588 1354733924 /nfs/dbraw/zinc/73/39/24/1354733924.db2.gz QHLLLAIBSYSYDL-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CCC(C)(C)C ZINC001071689195 1354851902 /nfs/dbraw/zinc/85/19/02/1354851902.db2.gz HLZWMAGVTUVIEL-DOTOQJQBSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001071735041 1354887124 /nfs/dbraw/zinc/88/71/24/1354887124.db2.gz FGBXTMWFFCRIDQ-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071827840 1354964628 /nfs/dbraw/zinc/96/46/28/1354964628.db2.gz FCUNEJCSMRAGBD-PXNSSMCTSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1CCC1CC1 ZINC001071896684 1355012174 /nfs/dbraw/zinc/01/21/74/1355012174.db2.gz HNEMORQBXMYBFJ-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1CCC1CC1 ZINC001072099494 1355129253 /nfs/dbraw/zinc/12/92/53/1355129253.db2.gz RMYQYLDCHORYHY-VQIMIIECSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001072297344 1355227129 /nfs/dbraw/zinc/22/71/29/1355227129.db2.gz IPLCHTJXFYBZNX-PKOBYXMFSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001072297775 1355227686 /nfs/dbraw/zinc/22/76/86/1355227686.db2.gz ODJFNZCQFRRGQU-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001183221620 1387281629 /nfs/dbraw/zinc/28/16/29/1387281629.db2.gz TZZZOOAGQCDCND-NREOILKTSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001074062982 1356061429 /nfs/dbraw/zinc/06/14/29/1356061429.db2.gz CICRFFVKRAZQDN-AZUAARDMSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074695333 1356224441 /nfs/dbraw/zinc/22/44/41/1356224441.db2.gz XGVHLWOACDGCHC-SXLOBPIMSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001074686012 1356224631 /nfs/dbraw/zinc/22/46/31/1356224631.db2.gz HCFNUAGJWHLXTQ-IHPCNDPISA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCC(C)(C)C)C[C@H]32)C1 ZINC001076161939 1356509965 /nfs/dbraw/zinc/50/99/65/1356509965.db2.gz WLOHGVAMKSUXPM-GBESFXJTSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256436 1387286427 /nfs/dbraw/zinc/28/64/27/1387286427.db2.gz WSLIIIDJKIVMLJ-BBCKOWNQSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256060 1387286455 /nfs/dbraw/zinc/28/64/55/1387286455.db2.gz QIWMXNHVVJEXCC-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCC(C)C ZINC001099297423 1363737077 /nfs/dbraw/zinc/73/70/77/1363737077.db2.gz GIUNBOJTJNMVKD-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099316158 1363745315 /nfs/dbraw/zinc/74/53/15/1363745315.db2.gz NNCRYYLRZDAUHE-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082520412 1358053378 /nfs/dbraw/zinc/05/33/78/1358053378.db2.gz VFCKJXQRDNRBLF-HNBVOPMISA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082612608 1358066058 /nfs/dbraw/zinc/06/60/58/1358066058.db2.gz WOIVNXAFHKMXOW-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001084940163 1358351957 /nfs/dbraw/zinc/35/19/57/1358351957.db2.gz IPXUEVPKNPENJI-OTWHNJEPSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963258 1358355339 /nfs/dbraw/zinc/35/53/39/1358355339.db2.gz IGXXLAZRZPDGFT-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085217458 1358436644 /nfs/dbraw/zinc/43/66/44/1358436644.db2.gz BUAHQUBXOPKBJC-KZNAEPCWSA-N 2 0 349.544 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085225219 1358438016 /nfs/dbraw/zinc/43/80/16/1358438016.db2.gz NHUCBIJOQIMVEP-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085245425 1358443293 /nfs/dbraw/zinc/44/32/93/1358443293.db2.gz XIOJEESGCJMWOP-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC001085295877 1358455576 /nfs/dbraw/zinc/45/55/76/1358455576.db2.gz CSRSSDHUVQSJPE-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001085423468 1358495799 /nfs/dbraw/zinc/49/57/99/1358495799.db2.gz RPGQXELULZTGAS-MISYRCLQSA-N 2 0 343.515 3.169 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001323339779 1387344028 /nfs/dbraw/zinc/34/40/28/1387344028.db2.gz JHYSTWBNALYJTK-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085639489 1358652719 /nfs/dbraw/zinc/65/27/19/1358652719.db2.gz PRVKDBBJHCMSRM-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639385 1358652854 /nfs/dbraw/zinc/65/28/54/1358652854.db2.gz NRTBXGZBMAKAHM-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1CCCCCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675420 1358679848 /nfs/dbraw/zinc/67/98/48/1358679848.db2.gz RZPNCGJRLVTHCG-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001323356552 1387349931 /nfs/dbraw/zinc/34/99/31/1387349931.db2.gz KDSUKFHNMUMLSV-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687317 1358687566 /nfs/dbraw/zinc/68/75/66/1358687566.db2.gz MSGFTVOYFMIUOP-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782250 1358757162 /nfs/dbraw/zinc/75/71/62/1358757162.db2.gz PXKIOPPZIPGZRB-RBUKOAKNSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCC2)CC1 ZINC001085901969 1358859546 /nfs/dbraw/zinc/85/95/46/1358859546.db2.gz RGOGNCUMBUDANU-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986429 1358939286 /nfs/dbraw/zinc/93/92/86/1358939286.db2.gz DKSZCZCIKIECKX-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086216822 1359030633 /nfs/dbraw/zinc/03/06/33/1359030633.db2.gz AVBVZCKNAKJQFR-HSALFYBXSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086386930 1359084618 /nfs/dbraw/zinc/08/46/18/1359084618.db2.gz LSRJNHBMKDEUSA-UFYCRDLUSA-N 2 0 349.563 3.029 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001086399730 1359087257 /nfs/dbraw/zinc/08/72/57/1359087257.db2.gz KMEFKFOFDRQYFF-MUGJNUQGSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086414796 1359090891 /nfs/dbraw/zinc/09/08/91/1359090891.db2.gz JPWCVZWCSMDZIG-WDSOQIARSA-N 2 0 349.563 3.027 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086558890 1359145324 /nfs/dbraw/zinc/14/53/24/1359145324.db2.gz ZETLGXRALUUQSF-UFYCRDLUSA-N 2 0 347.547 3.236 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086784668 1359201098 /nfs/dbraw/zinc/20/10/98/1359201098.db2.gz JMHQCQCLJXLZPV-NLWGTHIKSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087246436 1359330094 /nfs/dbraw/zinc/33/00/94/1359330094.db2.gz PMKQOEWCGGZPQM-HOJAQTOUSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCC1CCCC1 ZINC001087569970 1359535476 /nfs/dbraw/zinc/53/54/76/1359535476.db2.gz VALARAXRTIILAI-XUVXKRRUSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001087572163 1359537335 /nfs/dbraw/zinc/53/73/35/1359537335.db2.gz DUKLJSYBPPXUIV-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CCC1CCCC1 ZINC001087578907 1359539510 /nfs/dbraw/zinc/53/95/10/1359539510.db2.gz WQAIJSXSPRRHCO-VNTMZGSJSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CC1CCCC1 ZINC001087621516 1359558945 /nfs/dbraw/zinc/55/89/45/1359558945.db2.gz YCYAHYLODGWTSU-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001087684676 1359588451 /nfs/dbraw/zinc/58/84/51/1359588451.db2.gz HYYGBXUGPXEXBK-DLBZAZTESA-N 2 0 349.544 3.092 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC1=CCCCC1 ZINC001087773384 1359637491 /nfs/dbraw/zinc/63/74/91/1359637491.db2.gz KWNNPORPMCILJL-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001088367372 1359851852 /nfs/dbraw/zinc/85/18/52/1359851852.db2.gz IJYQKAGWQPIUJB-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCCC3)C2)CC[N@@H+]1C ZINC001088369728 1359853009 /nfs/dbraw/zinc/85/30/09/1359853009.db2.gz QPMRCDHPECVPEP-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)[NH+](C)C ZINC001088376334 1359858265 /nfs/dbraw/zinc/85/82/65/1359858265.db2.gz DMLUAPRVEKNJQB-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430008 1359897754 /nfs/dbraw/zinc/89/77/54/1359897754.db2.gz FYNVTZAEQWWXND-SFHVURJKSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088563214 1359974191 /nfs/dbraw/zinc/97/41/91/1359974191.db2.gz IGLOPQUAUIMTSK-HOJAQTOUSA-N 2 0 347.547 3.329 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088621421 1359993234 /nfs/dbraw/zinc/99/32/34/1359993234.db2.gz DAOKSPCXKSKDOQ-NEWSRXKRSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1C ZINC001088621785 1359993439 /nfs/dbraw/zinc/99/34/39/1359993439.db2.gz TVWDXOXWPSUYRV-NJAFHUGGSA-N 2 0 349.544 3.090 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621430 1359993550 /nfs/dbraw/zinc/99/35/50/1359993550.db2.gz DGAFGNZGBZGFGX-QRQLOZEOSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769840 1360036679 /nfs/dbraw/zinc/03/66/79/1360036679.db2.gz IIHVOTHBBAQVLC-XLIONFOSSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001088791974 1360046689 /nfs/dbraw/zinc/04/66/89/1360046689.db2.gz NCMMUWUSDWELQD-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812290 1360059982 /nfs/dbraw/zinc/05/99/82/1360059982.db2.gz WURXYDDLNGXZTH-NEWSRXKRSA-N 2 0 335.536 3.163 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897427 1360097357 /nfs/dbraw/zinc/09/73/57/1360097357.db2.gz JDGHWKHDXLMOTI-GGPKGHCWSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089384487 1360385966 /nfs/dbraw/zinc/38/59/66/1360385966.db2.gz DOECVOKUOHWOGJ-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001089458785 1360445285 /nfs/dbraw/zinc/44/52/85/1360445285.db2.gz OIWBHCKNSHZSKC-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492538 1360470343 /nfs/dbraw/zinc/47/03/43/1360470343.db2.gz KDVUBJKGYPRPHA-ROUUACIJSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089564505 1360510598 /nfs/dbraw/zinc/51/05/98/1360510598.db2.gz ARKMNEZYTOKJHI-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664148 1360574205 /nfs/dbraw/zinc/57/42/05/1360574205.db2.gz CROHKXSTOQNCOB-SFHVURJKSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089685627 1360591056 /nfs/dbraw/zinc/59/10/56/1360591056.db2.gz FPWFUGZKZUVUBF-FHWLQOOXSA-N 2 0 349.563 3.290 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686546 1360593131 /nfs/dbraw/zinc/59/31/31/1360593131.db2.gz VGLWYURSRXPCNI-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CCCC2)C1 ZINC001089732196 1360636012 /nfs/dbraw/zinc/63/60/12/1360636012.db2.gz OTWBIBMEFYSFOS-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089734182 1360638591 /nfs/dbraw/zinc/63/85/91/1360638591.db2.gz LDPZLVMTZTZSEJ-OALUTQOASA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734457 1360639062 /nfs/dbraw/zinc/63/90/62/1360639062.db2.gz QTFLEPNGFAHSFN-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091112245 1360993837 /nfs/dbraw/zinc/99/38/37/1360993837.db2.gz MTJYDSYTNJAZIR-SOAGJPPSSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091378920 1361068831 /nfs/dbraw/zinc/06/88/31/1361068831.db2.gz ZETLGXRALUUQSF-MHJFOBGBSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C[NH2+]CCC1CCCC1 ZINC001184566093 1387494210 /nfs/dbraw/zinc/49/42/10/1387494210.db2.gz OHIWFNPULKRYPG-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C[NH2+]CCC1CCCC1 ZINC001184577036 1387496819 /nfs/dbraw/zinc/49/68/19/1387496819.db2.gz KGOBQRIZYXYXLS-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585712 1387497751 /nfs/dbraw/zinc/49/77/51/1387497751.db2.gz SQQDZTFRAHYUIA-OOFWQKGWSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804891 1361224782 /nfs/dbraw/zinc/22/47/82/1361224782.db2.gz UHBFYAVMNBPIGD-UTKZUKDTSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184609631 1387499961 /nfs/dbraw/zinc/49/99/61/1387499961.db2.gz REWJUMGJVDKGFI-SHCNBLLESA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001323992308 1387505118 /nfs/dbraw/zinc/50/51/18/1387505118.db2.gz RMNUSFDUABGXDP-JPYJTQIMSA-N 2 0 349.522 3.457 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092302108 1361358929 /nfs/dbraw/zinc/35/89/29/1361358929.db2.gz UAKQBIVKZLQJBP-OPYAIIAOSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001093025161 1361510608 /nfs/dbraw/zinc/51/06/08/1361510608.db2.gz TTZQKMCHENDROW-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001184722424 1387520582 /nfs/dbraw/zinc/52/05/82/1387520582.db2.gz BSOKHCSQCTXKJV-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093767818 1361693994 /nfs/dbraw/zinc/69/39/94/1361693994.db2.gz DTJQHSBIERNJGA-RLLQIKCJSA-N 2 0 347.547 3.044 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413376 1361790660 /nfs/dbraw/zinc/79/06/60/1361790660.db2.gz CRFGMNVORAAHHZ-QWFCFKBJSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094461361 1361810939 /nfs/dbraw/zinc/81/09/39/1361810939.db2.gz VPYFJWULZNJMJD-UYAOXDASSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094552032 1361855695 /nfs/dbraw/zinc/85/56/95/1361855695.db2.gz WUPRUFLCYCSIHO-TZIWHRDSSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001184807032 1387543386 /nfs/dbraw/zinc/54/33/86/1387543386.db2.gz PXCYCPYOINRAAF-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891399 1387555745 /nfs/dbraw/zinc/55/57/45/1387555745.db2.gz FVUBPQXADHGKFN-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095404805 1362129711 /nfs/dbraw/zinc/12/97/11/1362129711.db2.gz APKFZAWZOKDPDY-FUMNGEBKSA-N 2 0 347.547 3.161 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001095405663 1362130257 /nfs/dbraw/zinc/13/02/57/1362130257.db2.gz ZJOWZESELGWZBY-XWSJACJDSA-N 2 0 347.547 3.017 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533710 1362163748 /nfs/dbraw/zinc/16/37/48/1362163748.db2.gz KMPRMUHLEYIUJR-FYQPLNBISA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812811 1362242427 /nfs/dbraw/zinc/24/24/27/1362242427.db2.gz RDVGNQQDAYWFCJ-XWSJACJDSA-N 2 0 347.547 3.019 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC1 ZINC001096105294 1362385195 /nfs/dbraw/zinc/38/51/95/1362385195.db2.gz XXHFBUIEYMWKJW-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001324328913 1387593681 /nfs/dbraw/zinc/59/36/81/1387593681.db2.gz KORZDLKVYCFHPX-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001324334585 1387595922 /nfs/dbraw/zinc/59/59/22/1387595922.db2.gz MCOOHSCGIMPZSD-IBGZPJMESA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098037439 1363203923 /nfs/dbraw/zinc/20/39/23/1363203923.db2.gz MAZZYCJMCGGCOY-AQNXPRMDSA-N 2 0 343.515 3.129 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120285 1387622819 /nfs/dbraw/zinc/62/28/19/1387622819.db2.gz QCEHFAVILPQWDW-PEPAHJGKSA-N 2 0 347.547 3.330 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120299 1387623009 /nfs/dbraw/zinc/62/30/09/1387623009.db2.gz QFDNTWXXNIGOMW-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846626 1363489885 /nfs/dbraw/zinc/48/98/85/1363489885.db2.gz OKYZVIGPVHEDNF-HUUJSLGLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115768 1363631934 /nfs/dbraw/zinc/63/19/34/1363631934.db2.gz JRFHHWURWGJTMB-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099116804 1363632697 /nfs/dbraw/zinc/63/26/97/1363632697.db2.gz WGDQOROCTAHZLW-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC(C)(C)C ZINC001099214238 1363694919 /nfs/dbraw/zinc/69/49/19/1363694919.db2.gz ISNBBOUUYRTOQC-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215259 1363696127 /nfs/dbraw/zinc/69/61/27/1363696127.db2.gz RBGBIHVZCJSWRR-GIFJBRJJSA-N 2 0 337.552 3.291 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099299019 1363738099 /nfs/dbraw/zinc/73/80/99/1363738099.db2.gz QQGDOOZNEBEDJY-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099310402 1363743089 /nfs/dbraw/zinc/74/30/89/1363743089.db2.gz LCGQCCCLZSDXIF-QWNKOJSDSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354063 1363768437 /nfs/dbraw/zinc/76/84/37/1363768437.db2.gz LWZHVHIFIMBXAB-SFHVURJKSA-N 2 0 339.568 3.370 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099543530 1363840456 /nfs/dbraw/zinc/84/04/56/1363840456.db2.gz HIBQNINDLZDODU-NMLBUPMWSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100418616 1364108182 /nfs/dbraw/zinc/10/81/82/1364108182.db2.gz CAMCQXKLKYOMOC-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2ccccc2C)C1 ZINC001100460020 1364122130 /nfs/dbraw/zinc/12/21/30/1364122130.db2.gz LLBIJLFXRXWVOZ-WWDZGPRUSA-N 2 0 345.531 3.271 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100471130 1364126804 /nfs/dbraw/zinc/12/68/04/1364126804.db2.gz QBZUKGXEYNNLRQ-MHJFOBGBSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+]CC3CCCC3)C2)CCCCC1 ZINC001100537111 1364150666 /nfs/dbraw/zinc/15/06/66/1364150666.db2.gz FBFDROHFNZPYGN-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100614171 1364188769 /nfs/dbraw/zinc/18/87/69/1364188769.db2.gz GVFBLPUIVUYRAO-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100613949 1364188871 /nfs/dbraw/zinc/18/88/71/1364188871.db2.gz CWWQGWABIXYCKB-SREVYHEPSA-N 2 0 347.503 3.186 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001100647245 1364203802 /nfs/dbraw/zinc/20/38/02/1364203802.db2.gz KFGLNLMDEBEHHO-CTWPCTMYSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]C[C@H](C)CC)C1 ZINC001100856488 1364294205 /nfs/dbraw/zinc/29/42/05/1364294205.db2.gz GWQQVWDRDFUPAR-LMDPOFIKSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100898726 1364320451 /nfs/dbraw/zinc/32/04/51/1364320451.db2.gz ZJUCCSBDTXQHLL-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001100901822 1364322828 /nfs/dbraw/zinc/32/28/28/1364322828.db2.gz PXDUZMKTHADUJU-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037924 1364384440 /nfs/dbraw/zinc/38/44/40/1364384440.db2.gz YDYIGAGTWKHBRJ-KFYHWWINSA-N 2 0 349.563 3.338 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001101039455 1364385564 /nfs/dbraw/zinc/38/55/64/1364385564.db2.gz MGEASJJJCRHQGL-UHFFFAOYSA-N 2 0 337.552 3.027 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001101541415 1364607641 /nfs/dbraw/zinc/60/76/41/1364607641.db2.gz DWTXFROKDPXOFX-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001101580307 1364633085 /nfs/dbraw/zinc/63/30/85/1364633085.db2.gz RVQKXCITGUEVCG-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185361128 1387691935 /nfs/dbraw/zinc/69/19/35/1387691935.db2.gz UXAZSGDJTVSDSK-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060592 1364828729 /nfs/dbraw/zinc/82/87/29/1364828729.db2.gz HRFOYFNHZNXPOX-JCHUFIKGSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102078947 1364841252 /nfs/dbraw/zinc/84/12/52/1364841252.db2.gz QDKDUPDJDVBPDU-RTBURBONSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104080 1364858695 /nfs/dbraw/zinc/85/86/95/1364858695.db2.gz FDYBXGUWYMVGJB-NDZBKKTDSA-N 2 0 337.552 3.147 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)c1 ZINC001102320933 1365000063 /nfs/dbraw/zinc/00/00/63/1365000063.db2.gz ZXBACEQEJGHTMW-CEXWTWQISA-N 2 0 345.531 3.000 20 0 EGADRP CC(C)CCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375635 1365029591 /nfs/dbraw/zinc/02/95/91/1365029591.db2.gz UTVVHRITIPFUAB-QZTJIDSGSA-N 2 0 339.568 3.085 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103113260 1365388888 /nfs/dbraw/zinc/38/88/88/1365388888.db2.gz CNKARBMTYIUJOO-QRVBRYPASA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185550530 1387745991 /nfs/dbraw/zinc/74/59/91/1387745991.db2.gz UGAOCVPDKPVWNU-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001185550162 1387745617 /nfs/dbraw/zinc/74/56/17/1387745617.db2.gz STLQUCDBMPTMSS-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001103434946 1365557936 /nfs/dbraw/zinc/55/79/36/1365557936.db2.gz GEORBOGHEOGMEF-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103435211 1365558070 /nfs/dbraw/zinc/55/80/70/1365558070.db2.gz VVRPVLQJYHDIMG-CEXWTWQISA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722586 1365748960 /nfs/dbraw/zinc/74/89/60/1365748960.db2.gz UWNYHUFOEVTPIX-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264740 1365971913 /nfs/dbraw/zinc/97/19/13/1365971913.db2.gz CDFPDLTXCIFWKF-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104353833 1365982954 /nfs/dbraw/zinc/98/29/54/1365982954.db2.gz JBFOTZAYELHXIF-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104482369 1366043994 /nfs/dbraw/zinc/04/39/94/1366043994.db2.gz MLIQWWGJOYBWQN-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683567 1366130572 /nfs/dbraw/zinc/13/05/72/1366130572.db2.gz MAEBDYJKTRKHJG-LXORQPIJSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185743432 1387788661 /nfs/dbraw/zinc/78/86/61/1387788661.db2.gz ZSEHJUIDBQSGQO-PXNSSMCTSA-N 2 0 345.531 3.092 20 0 EGADRP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752400 1366157205 /nfs/dbraw/zinc/15/72/05/1366157205.db2.gz DEXOSJPHPBYHDQ-CEXWTWQISA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001104813134 1366184105 /nfs/dbraw/zinc/18/41/05/1366184105.db2.gz ZNKNHEJBMMYWFH-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC)C1 ZINC001104895887 1366213447 /nfs/dbraw/zinc/21/34/47/1366213447.db2.gz HGESZGPGWOIICE-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001104896488 1366213742 /nfs/dbraw/zinc/21/37/42/1366213742.db2.gz BGQCBKJTSXVNHC-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104896448 1366213776 /nfs/dbraw/zinc/21/37/76/1366213776.db2.gz ZBRYHFGGBJNBJO-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001185778346 1387797237 /nfs/dbraw/zinc/79/72/37/1387797237.db2.gz IDFKFXOXPBRDPU-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001105396089 1366444524 /nfs/dbraw/zinc/44/45/24/1366444524.db2.gz ICBPBQIIZCLBTJ-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2[NH+](C(C)C)CC23CCC3)CC1 ZINC001105396624 1366445361 /nfs/dbraw/zinc/44/53/61/1366445361.db2.gz QMURSPMNQVLLSP-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396713 1366445402 /nfs/dbraw/zinc/44/54/02/1366445402.db2.gz SXDIEQCBIBLKEF-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105396809 1366446033 /nfs/dbraw/zinc/44/60/33/1366446033.db2.gz WOQRNIAMSPFKFI-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536964 1366516842 /nfs/dbraw/zinc/51/68/42/1366516842.db2.gz LKJGLIHWKVVVBQ-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105572604 1366539199 /nfs/dbraw/zinc/53/91/99/1366539199.db2.gz WNJRDULXVOEKDI-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105574528 1366539662 /nfs/dbraw/zinc/53/96/62/1366539662.db2.gz AFGOCQLSPFQNRG-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577308 1366541595 /nfs/dbraw/zinc/54/15/95/1366541595.db2.gz UFHVLPZLUHRABI-OALUTQOASA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577683 1366541763 /nfs/dbraw/zinc/54/17/63/1366541763.db2.gz YJAZIKCHOJQRSQ-RBUKOAKNSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105578545 1366542148 /nfs/dbraw/zinc/54/21/48/1366542148.db2.gz CONKKOPZNFNKJT-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133045 1366613584 /nfs/dbraw/zinc/61/35/84/1366613584.db2.gz DQWRLMVSVJSMLW-CEXWTWQISA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106354359 1366666967 /nfs/dbraw/zinc/66/69/67/1366666967.db2.gz WCWPJWKLWLZNSA-NVXWUHKLSA-N 2 0 342.487 3.131 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728757 1366782569 /nfs/dbraw/zinc/78/25/69/1366782569.db2.gz PWBBOZNKCRGTGF-CEXWTWQISA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765738 1366792244 /nfs/dbraw/zinc/79/22/44/1366792244.db2.gz QPXZEYPKHYHZIF-SQGPQFPESA-N 2 0 345.531 3.092 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107028909 1366860820 /nfs/dbraw/zinc/86/08/20/1366860820.db2.gz JIYJGWDZYNPFDH-MBOZVWFJSA-N 2 0 345.531 3.092 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001107443049 1366964925 /nfs/dbraw/zinc/96/49/25/1366964925.db2.gz WIILOCUMYBKRIH-QKNQBKEWSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001107443050 1366965218 /nfs/dbraw/zinc/96/52/18/1366965218.db2.gz WIILOCUMYBKRIH-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451466 1366968606 /nfs/dbraw/zinc/96/86/06/1366968606.db2.gz VMNWGXGJQBIVHI-ISDNTMMISA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109263722 1367032974 /nfs/dbraw/zinc/03/29/74/1367032974.db2.gz HGKBEZSLIUBUOL-ILENRSAMSA-N 2 0 347.547 3.327 20 0 EGADRP C[N@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2)CC(C)(C)C ZINC001107552982 1367039980 /nfs/dbraw/zinc/03/99/80/1367039980.db2.gz YKGDFHAUVBIKPV-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567377 1367048936 /nfs/dbraw/zinc/04/89/36/1367048936.db2.gz UCFRDMBVUIFMIK-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582093 1367056208 /nfs/dbraw/zinc/05/62/08/1367056208.db2.gz WOUZXVWLCLJLRE-WSTZPKSXSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107581888 1367056304 /nfs/dbraw/zinc/05/63/04/1367056304.db2.gz PRPUAIAEBKIXEJ-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107598469 1367064872 /nfs/dbraw/zinc/06/48/72/1367064872.db2.gz CTXCDPQTTUFGKM-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107652434 1367095611 /nfs/dbraw/zinc/09/56/11/1367095611.db2.gz UMYIGLIFEDDOGS-TZIWHRDSSA-N 2 0 347.547 3.023 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001109417885 1367112328 /nfs/dbraw/zinc/11/23/28/1367112328.db2.gz QKCMPDUECVQLBF-RDGPPVDQSA-N 2 0 347.547 3.019 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001109419636 1367113212 /nfs/dbraw/zinc/11/32/12/1367113212.db2.gz YDGGLVHNKIOJRP-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565148 1367202023 /nfs/dbraw/zinc/20/20/23/1367202023.db2.gz BTJACDGLNIQYOQ-QYZOEREBSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001186074887 1387859656 /nfs/dbraw/zinc/85/96/56/1387859656.db2.gz KCXTWPKJRYKXLK-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)C)C1 ZINC001109635594 1367255151 /nfs/dbraw/zinc/25/51/51/1367255151.db2.gz JQJYDZIWUKOLDE-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480580 1367272769 /nfs/dbraw/zinc/27/27/69/1367272769.db2.gz DKOOESUSFHPYPL-FPMVPNIMSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190997714 1367399955 /nfs/dbraw/zinc/39/99/55/1367399955.db2.gz YAFULUHGDKWDNT-RTBURBONSA-N 2 0 345.531 3.401 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001191029032 1367404761 /nfs/dbraw/zinc/40/47/61/1367404761.db2.gz FPGWUSZRVKPEOY-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001191029701 1367404979 /nfs/dbraw/zinc/40/49/79/1367404979.db2.gz LZZSKQWCZFHEAV-GOSISDBHSA-N 2 0 335.536 3.140 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080538 1367419113 /nfs/dbraw/zinc/41/91/13/1367419113.db2.gz IMWFEKMKYICOBX-KGMDJONISA-N 2 0 349.563 3.386 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161836 1367535037 /nfs/dbraw/zinc/53/50/37/1367535037.db2.gz VAQTWMOHZCSMGV-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190909 1367557547 /nfs/dbraw/zinc/55/75/47/1367557547.db2.gz XLRYDYCGSZFRLO-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108771680 1367586844 /nfs/dbraw/zinc/58/68/44/1367586844.db2.gz FAAIMTPPYKVNNN-UFYCRDLUSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001192045577 1367674376 /nfs/dbraw/zinc/67/43/76/1367674376.db2.gz GLDWKDHHUKPKLG-OALUTQOASA-N 2 0 345.531 3.239 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001192317340 1367748175 /nfs/dbraw/zinc/74/81/75/1367748175.db2.gz SBDDNUCFFWDPKO-UXHICEINSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001192317341 1367748287 /nfs/dbraw/zinc/74/82/87/1367748287.db2.gz SBDDNUCFFWDPKO-VQTJNVASSA-N 2 0 345.531 3.148 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192325620 1367752070 /nfs/dbraw/zinc/75/20/70/1367752070.db2.gz MGRCHCHWTLMSTQ-QZTJIDSGSA-N 2 0 325.541 3.076 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001192325684 1367752305 /nfs/dbraw/zinc/75/23/05/1367752305.db2.gz MPQQZSQPADFIQZ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001110626450 1367875387 /nfs/dbraw/zinc/87/53/87/1367875387.db2.gz BGFZIEBSKOJVBL-RPCZBFAQSA-N 2 0 347.547 3.329 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110661593 1367903746 /nfs/dbraw/zinc/90/37/46/1367903746.db2.gz ZMAQAPRFWAKRRK-BWGAQWGUSA-N 2 0 347.547 3.327 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)C(C)C ZINC001192918190 1367904688 /nfs/dbraw/zinc/90/46/88/1367904688.db2.gz YGFKSCRZVCQILG-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001110673604 1367913727 /nfs/dbraw/zinc/91/37/27/1367913727.db2.gz JCMLCHNEHZEZKW-KURKYZTESA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193291267 1367990512 /nfs/dbraw/zinc/99/05/12/1367990512.db2.gz HBQKUVHSRQZRPQ-FQEVSTJZSA-N 2 0 345.531 3.185 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500185 1368047009 /nfs/dbraw/zinc/04/70/09/1368047009.db2.gz QUNLTPXMGJGTOM-QWPQOLDESA-N 2 0 344.503 3.040 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558911 1368061382 /nfs/dbraw/zinc/06/13/82/1368061382.db2.gz FGLNQAIFCDXBKP-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561146 1368061972 /nfs/dbraw/zinc/06/19/72/1368061972.db2.gz WOTNABXSXOSFAA-VQTJNVASSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193643036 1368081490 /nfs/dbraw/zinc/08/14/90/1368081490.db2.gz PTGNPVGGSWXARI-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962012 1368126764 /nfs/dbraw/zinc/12/67/64/1368126764.db2.gz KBBCCURYQJTDOF-WTGUMLROSA-N 2 0 343.515 3.201 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001111018371 1368144241 /nfs/dbraw/zinc/14/42/41/1368144241.db2.gz RZGDKOJZHRVXDD-ZRNYENFQSA-N 2 0 349.563 3.409 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C)C(C)C ZINC001111164127 1368174558 /nfs/dbraw/zinc/17/45/58/1368174558.db2.gz KGYIXTQVLMHRQQ-YRXWBPOGSA-N 2 0 337.552 3.120 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111218507 1368196415 /nfs/dbraw/zinc/19/64/15/1368196415.db2.gz NIAQRZIADKZHHS-QRVBRYPASA-N 2 0 335.536 3.019 20 0 EGADRP Cc1cccc([C@H](O)C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC001194203210 1368207794 /nfs/dbraw/zinc/20/77/94/1368207794.db2.gz FFAHEVRJLKISLK-JOCHJYFZSA-N 2 0 347.462 3.399 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296230 1368225182 /nfs/dbraw/zinc/22/51/82/1368225182.db2.gz YRACARQBAZDBCJ-OALUTQOASA-N 2 0 331.504 3.011 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001111297858 1368257593 /nfs/dbraw/zinc/25/75/93/1368257593.db2.gz YENMXXJFRWQWNH-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC1(C)CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)C1 ZINC001111454175 1368310286 /nfs/dbraw/zinc/31/02/86/1368310286.db2.gz OEOGAOLKJGZCHW-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001111463237 1368311829 /nfs/dbraw/zinc/31/18/29/1368311829.db2.gz GAGZEQFVEFTNPX-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[N@H+](CC2CCC(C)(C)CC2)CC1 ZINC001196970600 1368723219 /nfs/dbraw/zinc/72/32/19/1368723219.db2.gz NIDIBCZBIRTVST-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285442 1368748251 /nfs/dbraw/zinc/74/82/51/1368748251.db2.gz XODXEQQZQZOMKM-PTDRADOGSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1)[NH+](CC)CC ZINC001197141068 1368753289 /nfs/dbraw/zinc/75/32/89/1368753289.db2.gz AAZRQWYMLGSQIM-SFHVURJKSA-N 2 0 339.568 3.467 20 0 EGADRP Cc1cccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)c1 ZINC001197180838 1368760432 /nfs/dbraw/zinc/76/04/32/1368760432.db2.gz NTXXFATWTOIXIN-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396831 1368805567 /nfs/dbraw/zinc/80/55/67/1368805567.db2.gz QKGVQDJGCGJJMQ-PSCPARJHSA-N 2 0 347.547 3.284 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448236 1368817047 /nfs/dbraw/zinc/81/70/47/1368817047.db2.gz RUDFKIGOERPMGS-AATRIKPKSA-N 2 0 343.515 3.252 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001197767664 1368893135 /nfs/dbraw/zinc/89/31/35/1368893135.db2.gz GQUUTMUDEMJVMQ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112548869 1368923433 /nfs/dbraw/zinc/92/34/33/1368923433.db2.gz XAEOSXJYBWLCLN-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198242898 1368987600 /nfs/dbraw/zinc/98/76/00/1368987600.db2.gz ACALZLBSADZBHD-PLNGDYQASA-N 2 0 335.536 3.143 20 0 EGADRP CC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112855282 1369048807 /nfs/dbraw/zinc/04/88/07/1369048807.db2.gz QHPTXJFXKRNCLL-ZRHASKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001186598059 1387979935 /nfs/dbraw/zinc/97/99/35/1387979935.db2.gz NVUUAXQJFIWDLR-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605516 1387984422 /nfs/dbraw/zinc/98/44/22/1387984422.db2.gz ONXJSSUURCEZKU-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001199722723 1369261249 /nfs/dbraw/zinc/26/12/49/1369261249.db2.gz WVFLAQCFCDKYPH-YLJYHZDGSA-N 2 0 332.532 3.209 20 0 EGADRP CC(C)C1CCC([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC001199884243 1369284055 /nfs/dbraw/zinc/28/40/55/1369284055.db2.gz PSYGXQOKOMZDFF-UHFFFAOYSA-N 2 0 330.520 3.138 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186732261 1388001522 /nfs/dbraw/zinc/00/15/22/1388001522.db2.gz SYPLUFRCQQEKTJ-OVKVCFKUSA-N 2 0 335.536 3.044 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001200813752 1369433031 /nfs/dbraw/zinc/43/30/31/1369433031.db2.gz XUBWLTYKFGYEPB-IAGOWNOFSA-N 2 0 328.460 3.048 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200841389 1369437785 /nfs/dbraw/zinc/43/77/85/1369437785.db2.gz RHYJKQXKUYIQBF-QGZVFWFLSA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001201044078 1369470488 /nfs/dbraw/zinc/47/04/88/1369470488.db2.gz PEQGCUUAEMFDQW-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201043622 1369470840 /nfs/dbraw/zinc/47/08/40/1369470840.db2.gz FAVHMTYEVBINLH-IBGZPJMESA-N 2 0 337.552 3.266 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CC2CC(C)C2)CC1 ZINC001113529541 1369479452 /nfs/dbraw/zinc/47/94/52/1369479452.db2.gz VHLSGCLAHCIHRL-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001201229709 1369499941 /nfs/dbraw/zinc/49/99/41/1369499941.db2.gz HFCORDHNRDAAAC-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP Cc1c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC001201370217 1369529248 /nfs/dbraw/zinc/52/92/48/1369529248.db2.gz IAARCZCDJSKTDD-UHFFFAOYSA-N 2 0 348.454 3.071 20 0 EGADRP Cc1c(C(=O)N2CCC([NH2+]CCCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001201394435 1369535572 /nfs/dbraw/zinc/53/55/72/1369535572.db2.gz XEMQJBXFNRWAHQ-UHFFFAOYSA-N 2 0 342.487 3.273 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc4ocnc4cc3Cl)cc[nH+]2)CC1 ZINC001201667732 1369601543 /nfs/dbraw/zinc/60/15/43/1369601543.db2.gz HBTWTFFZUOMRHY-UHFFFAOYSA-N 2 0 343.818 3.372 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC001201706697 1369609337 /nfs/dbraw/zinc/60/93/37/1369609337.db2.gz PPMIJDYFVITMBY-MRXNPFEDSA-N 2 0 337.533 3.246 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793426 1369624455 /nfs/dbraw/zinc/62/44/55/1369624455.db2.gz AWYOACYVYOZQAB-DPZZJQGRSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC([NH2+]Cc3ccsc3)CC2)CCCC1 ZINC001201840605 1369632422 /nfs/dbraw/zinc/63/24/22/1369632422.db2.gz PVDCAJDYYPPIMQ-UHFFFAOYSA-N 2 0 349.544 3.093 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144811 1369700430 /nfs/dbraw/zinc/70/04/30/1369700430.db2.gz KDHKYGQUPLAFIA-LIXSYLKWSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001202473610 1369782965 /nfs/dbraw/zinc/78/29/65/1369782965.db2.gz LRMPXTRSYKNVER-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCC4CCOCC4)C[C@@H]3C2)cc1 ZINC001202668451 1369843893 /nfs/dbraw/zinc/84/38/93/1369843893.db2.gz MPSWWUVUPBZAEP-LEWJYISDSA-N 2 0 328.500 3.257 20 0 EGADRP C[NH+](C)CCCn1cc(Nc2ccccc2C[NH+]2CCCC2)cn1 ZINC001186997888 1388037318 /nfs/dbraw/zinc/03/73/18/1388037318.db2.gz YQGKZOOVQPWYKY-UHFFFAOYSA-N 2 0 327.476 3.174 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203035545 1369962335 /nfs/dbraw/zinc/96/23/35/1369962335.db2.gz CCGVXFXCJDFPON-WYNBNGFRSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203103864 1369983969 /nfs/dbraw/zinc/98/39/69/1369983969.db2.gz NFCPCSSZJJBJRH-ZWKOTPCHSA-N 2 0 349.563 3.312 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001114624729 1369998775 /nfs/dbraw/zinc/99/87/75/1369998775.db2.gz XPAZIJJNJBBANU-GJPWGKPRSA-N 2 0 347.547 3.044 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001203214551 1370028037 /nfs/dbraw/zinc/02/80/37/1370028037.db2.gz LQAHUDYJMVUJML-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203287285 1370062756 /nfs/dbraw/zinc/06/27/56/1370062756.db2.gz ANWZODSMEZAOGA-LAUBAEHRSA-N 2 0 345.531 3.090 20 0 EGADRP CC[C@@H](F)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313836 1370078234 /nfs/dbraw/zinc/07/82/34/1370078234.db2.gz UJLLYGPHWICQLS-IEBWSBKVSA-N 2 0 349.494 3.008 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C23CCC3)CC1 ZINC001203334140 1370087917 /nfs/dbraw/zinc/08/79/17/1370087917.db2.gz YGKUXPPGJCUOSP-QZTJIDSGSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C12CCC2 ZINC001203356823 1370096263 /nfs/dbraw/zinc/09/62/63/1370096263.db2.gz BTPWYWDBKRTISD-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001203414021 1370116792 /nfs/dbraw/zinc/11/67/92/1370116792.db2.gz GNJNKXZCYAVDLY-FLIBITNWSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001203460944 1370134320 /nfs/dbraw/zinc/13/43/20/1370134320.db2.gz YHSUXHNENHBBRF-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001114920735 1370149477 /nfs/dbraw/zinc/14/94/77/1370149477.db2.gz AAMOKTNHHPRCFL-NKEGRVEZSA-N 2 0 347.547 3.044 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203521114 1370153640 /nfs/dbraw/zinc/15/36/40/1370153640.db2.gz ITAAGKJZZGMJBB-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524476 1370155341 /nfs/dbraw/zinc/15/53/41/1370155341.db2.gz WAONLVLOUDHHTC-NUQYTELCSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203633043 1370194375 /nfs/dbraw/zinc/19/43/75/1370194375.db2.gz VZGUNOCGSGLNMP-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203650497 1370201640 /nfs/dbraw/zinc/20/16/40/1370201640.db2.gz HYYDLZDJZMBBNN-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742889 1370244831 /nfs/dbraw/zinc/24/48/31/1370244831.db2.gz PYFQDCLDAVJVPW-MOPGFXCFSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823559 1370279007 /nfs/dbraw/zinc/27/90/07/1370279007.db2.gz LVUFSRDGEMVSAX-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001203902564 1370307882 /nfs/dbraw/zinc/30/78/82/1370307882.db2.gz GGFIYEQNHQLXQG-AATRIKPKSA-N 2 0 343.515 3.299 20 0 EGADRP Oc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001204093164 1370376531 /nfs/dbraw/zinc/37/65/31/1370376531.db2.gz DHFHCFKTJLDHPB-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC001204269646 1370428101 /nfs/dbraw/zinc/42/81/01/1370428101.db2.gz IYZATVBPIAKZEZ-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)c(C)c1)C2 ZINC001204353781 1370451215 /nfs/dbraw/zinc/45/12/15/1370451215.db2.gz UBQYYBXSIJMJRJ-YADHBBJMSA-N 2 0 342.527 3.484 20 0 EGADRP Cc1c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cnn1C ZINC001204577057 1370521167 /nfs/dbraw/zinc/52/11/67/1370521167.db2.gz PHUHAQOGNNDZCF-UXHICEINSA-N 2 0 338.499 3.073 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115535351 1370531912 /nfs/dbraw/zinc/53/19/12/1370531912.db2.gz SJFQLJQDODCXDL-SJORKVTESA-N 2 0 341.515 3.016 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535368 1370532391 /nfs/dbraw/zinc/53/23/91/1370532391.db2.gz SRKOZEAUXAIUKW-ZWKOTPCHSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115535357 1370532414 /nfs/dbraw/zinc/53/24/14/1370532414.db2.gz SOHQQPBHLSCXFZ-AYAUWGRQSA-N 2 0 341.927 3.020 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCCC1 ZINC001115538339 1370534740 /nfs/dbraw/zinc/53/47/40/1370534740.db2.gz CYOISAHDQQPXLI-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C2(O)CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)cc1 ZINC001204637681 1370535100 /nfs/dbraw/zinc/53/51/00/1370535100.db2.gz FAPFANVUSCKSLS-UHFFFAOYSA-N 2 0 336.479 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540565 1370537275 /nfs/dbraw/zinc/53/72/75/1370537275.db2.gz SMAOQJXYKLHGJY-GNAXCBTBSA-N 2 0 347.547 3.093 20 0 EGADRP Brc1ccccc1CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727889 1370556272 /nfs/dbraw/zinc/55/62/72/1370556272.db2.gz UQNQIDQLAAAFGA-UHFFFAOYSA-N 2 0 337.305 3.457 20 0 EGADRP Brc1cccc(CC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204727914 1370556816 /nfs/dbraw/zinc/55/68/16/1370556816.db2.gz WCTOGRFFJBYCLI-UHFFFAOYSA-N 2 0 337.305 3.457 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115563608 1370563182 /nfs/dbraw/zinc/56/31/82/1370563182.db2.gz XWZXVJQCHFETAC-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571746 1370573844 /nfs/dbraw/zinc/57/38/44/1370573844.db2.gz MXJZYRKRKLXRMG-LJQANCHMSA-N 2 0 349.563 3.339 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579336 1370582587 /nfs/dbraw/zinc/58/25/87/1370582587.db2.gz IPQQCZHRNKSEBL-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591726 1370592498 /nfs/dbraw/zinc/59/24/98/1370592498.db2.gz BLEWAPZCUJXMSJ-ROUUACIJSA-N 2 0 335.536 3.212 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2C)CCCCC1)[NH+](C)C ZINC001115591864 1370592986 /nfs/dbraw/zinc/59/29/86/1370592986.db2.gz JDPPAYFDZNWEQB-LJQANCHMSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](F)CC[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617496 1370613896 /nfs/dbraw/zinc/61/38/96/1370613896.db2.gz ZPKHDZLOEYQNKJ-OAHLLOKOSA-N 2 0 346.450 3.105 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(O)c(OCc3ccccc3)c2)CC1 ZINC001205058211 1370639368 /nfs/dbraw/zinc/63/93/68/1370639368.db2.gz GKKJMKBSBPJXDB-UHFFFAOYSA-N 2 0 326.440 3.142 20 0 EGADRP CCCCCCOc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205209474 1370681624 /nfs/dbraw/zinc/68/16/24/1370681624.db2.gz JRDPGMHRBIHDRE-FQEVSTJZSA-N 2 0 334.504 3.321 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729460 1370711531 /nfs/dbraw/zinc/71/15/31/1370711531.db2.gz GSHDGXFTYKEOQA-SHCNBLLESA-N 2 0 335.536 3.093 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1)CC(C)(C)C ZINC001115730756 1370714241 /nfs/dbraw/zinc/71/42/41/1370714241.db2.gz SLCOQZVLRVFAST-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205334732 1370725307 /nfs/dbraw/zinc/72/53/07/1370725307.db2.gz QLXLWDULZGMIMN-PXIXMTEYSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001187303908 1388090936 /nfs/dbraw/zinc/09/09/36/1388090936.db2.gz FGNQFKTZSMVSGX-LJQANCHMSA-N 2 0 337.467 3.497 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001115760284 1370744211 /nfs/dbraw/zinc/74/42/11/1370744211.db2.gz LBFQFTKCMTYZAN-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115760821 1370745246 /nfs/dbraw/zinc/74/52/46/1370745246.db2.gz UNERDTQGPNWKCA-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP COc1ccc(C(C)(C)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC001205409245 1370746866 /nfs/dbraw/zinc/74/68/66/1370746866.db2.gz KBKBJWDIALIIFI-QGZVFWFLSA-N 2 0 334.504 3.398 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205415858 1370748323 /nfs/dbraw/zinc/74/83/23/1370748323.db2.gz NSFBPLZWNORNFT-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115765900 1370750424 /nfs/dbraw/zinc/75/04/24/1370750424.db2.gz KYCGXIUISVVCFP-LAQIPUCWSA-N 2 0 346.519 3.353 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205483930 1370769200 /nfs/dbraw/zinc/76/92/00/1370769200.db2.gz YLYJBQCZVAFRCP-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205519069 1370778442 /nfs/dbraw/zinc/77/84/42/1370778442.db2.gz UIXODRSGJGRNNU-FZZLMOMWSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205526519 1370781478 /nfs/dbraw/zinc/78/14/78/1370781478.db2.gz YODWNQSUZREEMW-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)CC1 ZINC001115802110 1370785472 /nfs/dbraw/zinc/78/54/72/1370785472.db2.gz IIVABCWHDZDQRX-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(Cl)c1OC ZINC001205558388 1370790897 /nfs/dbraw/zinc/79/08/97/1370790897.db2.gz DTGACNVYWHMDNL-MRXNPFEDSA-N 2 0 330.831 3.010 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001205558207 1370791627 /nfs/dbraw/zinc/79/16/27/1370791627.db2.gz CUOPWPXOPQCKNP-HNNXBMFYSA-N 2 0 346.903 3.050 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001205570047 1370794406 /nfs/dbraw/zinc/79/44/06/1370794406.db2.gz DHFYFMVDUFYGOC-ZDUSSCGKSA-N 2 0 339.764 3.407 20 0 EGADRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205570375 1370795682 /nfs/dbraw/zinc/79/56/82/1370795682.db2.gz JHUBHACUMAZSRJ-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603016 1370808065 /nfs/dbraw/zinc/80/80/65/1370808065.db2.gz MRQQLCCHWJWPBZ-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001205602633 1370808086 /nfs/dbraw/zinc/80/80/86/1370808086.db2.gz KSQSMCUKLNXVBE-NQIIRXRSSA-N 3 0 329.532 3.205 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC001205672325 1370837404 /nfs/dbraw/zinc/83/74/04/1370837404.db2.gz IVEZFPVFTJLDDS-HXUWFJFHSA-N 2 0 326.440 3.155 20 0 EGADRP c1cc(-c2ccc([C@H]3CC[NH2+]C3)cc2)ccc1CC[NH+]1CCOCC1 ZINC001205679247 1370840268 /nfs/dbraw/zinc/84/02/68/1370840268.db2.gz GODZKYMSOCBRFQ-QFIPXVFZSA-N 2 0 336.479 3.305 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC001116293473 1370880695 /nfs/dbraw/zinc/88/06/95/1370880695.db2.gz REUSFDFYUYGFIG-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP c1cc(-c2cc(C[NH+]3CCCCC3)ccn2)cc(N2CC[NH2+]CC2)c1 ZINC001205895250 1370902914 /nfs/dbraw/zinc/90/29/14/1370902914.db2.gz WEJNRKLVTMXWDV-UHFFFAOYSA-N 2 0 336.483 3.144 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116445538 1370913702 /nfs/dbraw/zinc/91/37/02/1370913702.db2.gz UDFYGJNLHZTJQC-FPOVZHCZSA-N 2 0 344.499 3.162 20 0 EGADRP Fc1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1C[NH+]1CCCC1 ZINC001205936685 1370916480 /nfs/dbraw/zinc/91/64/80/1370916480.db2.gz QTNHACVYIQIXQG-UHFFFAOYSA-N 2 0 339.458 3.498 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981698 1370929534 /nfs/dbraw/zinc/92/95/34/1370929534.db2.gz FLXRFPKUYKAAIW-HLAWJBBLSA-N 3 0 329.532 3.205 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(Br)c2F)CCC[C@H]1C[NH3+] ZINC001206004739 1370935616 /nfs/dbraw/zinc/93/56/16/1370935616.db2.gz UVXWSCFUDJTTOV-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC001206013823 1370939064 /nfs/dbraw/zinc/93/90/64/1370939064.db2.gz ULFIONGZOKNMRJ-JSGCOSHPSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1C[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC[C@@H]1C[NH3+] ZINC001206022176 1370941149 /nfs/dbraw/zinc/94/11/49/1370941149.db2.gz BLMFSDBKUZDVEL-QWHCGFSZSA-N 2 0 333.863 3.401 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001116825309 1370982122 /nfs/dbraw/zinc/98/21/22/1370982122.db2.gz GKPCVEOYHMCBNY-VQTJNVASSA-N 2 0 343.515 3.275 20 0 EGADRP COc1ccc(-c2ccncc2)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206211297 1370994579 /nfs/dbraw/zinc/99/45/79/1370994579.db2.gz NBURDAGLGQNPTR-OALUTQOASA-N 2 0 329.419 3.018 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206273830 1371009650 /nfs/dbraw/zinc/00/96/50/1371009650.db2.gz AHMSOLSGNKOGGP-SFHVURJKSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccccc2Oc2cnccn2)CC1 ZINC001206326807 1371023107 /nfs/dbraw/zinc/02/31/07/1371023107.db2.gz PGXGGKCLVJIEPD-IBGZPJMESA-N 2 0 326.444 3.220 20 0 EGADRP COC(=O)CCCCCCCCC[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001206336746 1371026753 /nfs/dbraw/zinc/02/67/53/1371026753.db2.gz OLQPIYKXSZTIPV-SFHVURJKSA-N 2 0 330.488 3.433 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccnc2OC(C)(C)C)CC1 ZINC001206494813 1371072997 /nfs/dbraw/zinc/07/29/97/1371072997.db2.gz IWDFDKWSSRQTGE-UHFFFAOYSA-N 2 0 341.459 3.149 20 0 EGADRP COc1cc(OC)c(C[NH+]2CCC(CC[NH3+])CC2)c2ccccc12 ZINC001206506450 1371077071 /nfs/dbraw/zinc/07/70/71/1371077071.db2.gz AUYFMAOKYUQJPX-UHFFFAOYSA-N 2 0 328.456 3.418 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC[C@H](C)F)CC1 ZINC001206621895 1371111014 /nfs/dbraw/zinc/11/10/14/1371111014.db2.gz IUQHZEJVWPRHQP-KRWDZBQOSA-N 2 0 343.531 3.075 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC001117953904 1371112881 /nfs/dbraw/zinc/11/28/81/1371112881.db2.gz SPNNAMSQYXTLPK-INIZCTEOSA-N 2 0 335.455 3.022 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001118219561 1371149220 /nfs/dbraw/zinc/14/92/20/1371149220.db2.gz ZZWIMGXCUVKPKB-JXFKEZNVSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@H]1CC[C@@H](C[NH3+])CN1Cc1c(Br)[nH]c2ccccc21 ZINC001206767655 1371157992 /nfs/dbraw/zinc/15/79/92/1371157992.db2.gz DEYLAWIWJVCQDL-RYUDHWBXSA-N 2 0 336.277 3.490 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC(C)(C)C)cc1 ZINC001118352045 1371165965 /nfs/dbraw/zinc/16/59/65/1371165965.db2.gz SUZMOVFYLLULJC-QGZVFWFLSA-N 2 0 346.519 3.005 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC001118351996 1371166229 /nfs/dbraw/zinc/16/62/29/1371166229.db2.gz RADVCOOYQSKPCC-LBPRGKRZSA-N 2 0 344.381 3.253 20 0 EGADRP Cc1cccc(C[NH2+]CC2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001206882878 1371205312 /nfs/dbraw/zinc/20/53/12/1371205312.db2.gz HIGKMOFBWVFDQL-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206885567 1371207050 /nfs/dbraw/zinc/20/70/50/1371207050.db2.gz UFFCQHDRDKNOAG-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001206889599 1371209928 /nfs/dbraw/zinc/20/99/28/1371209928.db2.gz ZJSMFZASOMQWDK-GOSISDBHSA-N 2 0 339.568 3.229 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001206952271 1371242753 /nfs/dbraw/zinc/24/27/53/1371242753.db2.gz HNRYPEXHGFFKSO-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC001326201909 1388126986 /nfs/dbraw/zinc/12/69/86/1388126986.db2.gz LQTWHLPHPIIPJO-UXHICEINSA-N 2 0 338.499 3.299 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]21 ZINC001207122884 1371300345 /nfs/dbraw/zinc/30/03/45/1371300345.db2.gz YBIYHOAGZHHWIM-ZJOUEHCJSA-N 2 0 337.467 3.398 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207189419 1371324755 /nfs/dbraw/zinc/32/47/55/1371324755.db2.gz BNOGYWCQTVNGSW-PKOBYXMFSA-N 2 0 335.923 3.013 20 0 EGADRP COc1ccccc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001207224803 1371334651 /nfs/dbraw/zinc/33/46/51/1371334651.db2.gz AHNHDCREFUQZFQ-ZRZPHAQCSA-N 2 0 332.488 3.379 20 0 EGADRP c1ccc(COCC[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001207228111 1371334843 /nfs/dbraw/zinc/33/48/43/1371334843.db2.gz KWOUWFUYDOLYPK-UHFFFAOYSA-N 2 0 346.515 3.028 20 0 EGADRP COc1ccccc1OCC1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207287876 1371352048 /nfs/dbraw/zinc/35/20/48/1371352048.db2.gz INKBHMZBUWFOKF-UHFFFAOYSA-N 2 0 334.504 3.374 20 0 EGADRP c1ccc(C[NH+]2CCC(CN3CCC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC001207291730 1371352611 /nfs/dbraw/zinc/35/26/11/1371352611.db2.gz WETKBQVXTBHHCF-NRFANRHFSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC001207289694 1371352944 /nfs/dbraw/zinc/35/29/44/1371352944.db2.gz WHIPRVBTJVQQRX-NRFANRHFSA-N 2 0 328.500 3.401 20 0 EGADRP Clc1cccc(CCN2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001207422039 1371389922 /nfs/dbraw/zinc/38/99/22/1371389922.db2.gz PABTXVNNBVQKKC-UHFFFAOYSA-N 2 0 344.890 3.191 20 0 EGADRP COC(=O)c1ccc(C2CC[NH+](CCC3CC[NH+](C)CC3)CC2)cc1 ZINC001207484453 1371409216 /nfs/dbraw/zinc/40/92/16/1371409216.db2.gz LDHPAEUNDMWNQT-UHFFFAOYSA-N 2 0 344.499 3.385 20 0 EGADRP COc1cccc(C(=O)C2CC[NH+](CCC3CC[NH+](C)CC3)CC2)c1 ZINC001207482589 1371409548 /nfs/dbraw/zinc/40/95/48/1371409548.db2.gz YLPFWMJCZZJYOK-UHFFFAOYSA-N 2 0 344.499 3.322 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001207487204 1371411096 /nfs/dbraw/zinc/41/10/96/1371411096.db2.gz SLGXXGZBZAUPMW-CALCHBBNSA-N 2 0 336.483 3.248 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](CCc2cccc(C)c2)CC1 ZINC001207537891 1371429442 /nfs/dbraw/zinc/42/94/42/1371429442.db2.gz JXGUHRZMAYFKFY-UHFFFAOYSA-N 2 0 331.548 3.277 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207540700 1371430378 /nfs/dbraw/zinc/43/03/78/1371430378.db2.gz AHBYYQOCQJOTQJ-CEXWTWQISA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)C[C@H]2C1 ZINC001119990323 1371444577 /nfs/dbraw/zinc/44/45/77/1371444577.db2.gz VQBKYNOUPZPZPC-BFYDXBDKSA-N 2 0 342.512 3.367 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001120046300 1371468222 /nfs/dbraw/zinc/46/82/22/1371468222.db2.gz USWBFCMJNSWBFC-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207750244 1371493597 /nfs/dbraw/zinc/49/35/97/1371493597.db2.gz NIFKGXAYMOJFEZ-QRQLOZEOSA-N 2 0 345.531 3.305 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120141031 1371494239 /nfs/dbraw/zinc/49/42/39/1371494239.db2.gz QFKYUKLHUUYGPQ-SNAWJCMRSA-N 2 0 335.536 3.237 20 0 EGADRP CC1(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)COC1 ZINC001207799542 1371508215 /nfs/dbraw/zinc/50/82/15/1371508215.db2.gz ARPGKPXNXBABRJ-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001207918157 1371539387 /nfs/dbraw/zinc/53/93/87/1371539387.db2.gz KQOQKGVTWVIQTP-LJQANCHMSA-N 2 0 345.575 3.342 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208014843 1371569077 /nfs/dbraw/zinc/56/90/77/1371569077.db2.gz UHASKLWJFCJUDC-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208014845 1371569683 /nfs/dbraw/zinc/56/96/83/1371569683.db2.gz UHASKLWJFCJUDC-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430540 1371574098 /nfs/dbraw/zinc/57/40/98/1371574098.db2.gz LOWXWMHKKMEJMQ-KJYWSYJISA-N 2 0 349.563 3.388 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120450623 1371581189 /nfs/dbraw/zinc/58/11/89/1371581189.db2.gz XIZKKISLVAEDBZ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120450590 1371581571 /nfs/dbraw/zinc/58/15/71/1371581571.db2.gz WUEPSAAYHSUVOL-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP c1cnn(CCC[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001208086418 1371592088 /nfs/dbraw/zinc/59/20/88/1371592088.db2.gz MHOUKJSTTRPQBY-RTWAWAEBSA-N 2 0 338.499 3.117 20 0 EGADRP C[NH+](C)CC1(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC001208188151 1371625934 /nfs/dbraw/zinc/62/59/34/1371625934.db2.gz UHSNWQBTCUTSTI-RTWAWAEBSA-N 2 0 341.543 3.315 20 0 EGADRP C[NH+](C)CC1(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCCC1 ZINC001208185459 1371627321 /nfs/dbraw/zinc/62/73/21/1371627321.db2.gz NHZYQUYRCDQBTE-QZTJIDSGSA-N 2 0 347.572 3.234 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001326298607 1388145745 /nfs/dbraw/zinc/14/57/45/1388145745.db2.gz JBCDEKDTDZCXPP-QFIPXVFZSA-N 2 0 349.478 3.152 20 0 EGADRP c1ccc(C2(C[NH+]3CCC([NH+]4CCCC4)CC3)CCOCC2)cc1 ZINC001208215752 1371657152 /nfs/dbraw/zinc/65/71/52/1371657152.db2.gz FDKQUKMKKCBIGP-UHFFFAOYSA-N 2 0 328.500 3.295 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331546 1371720361 /nfs/dbraw/zinc/72/03/61/1371720361.db2.gz UAOANNGVAUULBB-ASIGSXEYSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334283 1371722100 /nfs/dbraw/zinc/72/21/00/1371722100.db2.gz HQSJZEUMTAERDX-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208395673 1371752634 /nfs/dbraw/zinc/75/26/34/1371752634.db2.gz AZLCEEABINPIOB-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208395672 1371753136 /nfs/dbraw/zinc/75/31/36/1371753136.db2.gz AZLCEEABINPIOB-CEXWTWQISA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475179 1371782170 /nfs/dbraw/zinc/78/21/70/1371782170.db2.gz SFDNCVBFKXLSQY-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP O=C(N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001208491523 1371786520 /nfs/dbraw/zinc/78/65/20/1371786520.db2.gz KQEKEAZLXPLDHL-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CC[N@H+](C)C1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208594315 1371832682 /nfs/dbraw/zinc/83/26/82/1371832682.db2.gz MSCHJUPMRUKUSN-OAQYLSRUSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001208598038 1371834616 /nfs/dbraw/zinc/83/46/16/1371834616.db2.gz QWTPUOZFHKMJKN-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001208596759 1371834859 /nfs/dbraw/zinc/83/48/59/1371834859.db2.gz YNNAAMKAUDPZBS-YADHBBJMSA-N 2 0 341.543 3.315 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208602514 1371835746 /nfs/dbraw/zinc/83/57/46/1371835746.db2.gz GMOBBDMWUSEOKG-NRFANRHFSA-N 2 0 329.532 3.315 20 0 EGADRP CC[N@H+](CC1CC[NH+](CC)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208601700 1371836546 /nfs/dbraw/zinc/83/65/46/1371836546.db2.gz RIVPGOQUKWBMJV-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208611715 1371839713 /nfs/dbraw/zinc/83/97/13/1371839713.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 2 0 345.531 3.298 20 0 EGADRP COc1cc(C)ccc1OC1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208614303 1371841411 /nfs/dbraw/zinc/84/14/11/1371841411.db2.gz CEOCSXHPBKDBKR-KRWDZBQOSA-N 2 0 332.488 3.189 20 0 EGADRP COC(=O)[C@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001208631209 1371846884 /nfs/dbraw/zinc/84/68/84/1371846884.db2.gz RAAJNQAXWPURRP-GUDVDZBRSA-N 2 0 336.520 3.306 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103098 1371854898 /nfs/dbraw/zinc/85/48/98/1371854898.db2.gz RPBZMMCZHNRGRI-YDXWLCMNSA-N 2 0 347.547 3.233 20 0 EGADRP CC(C)(CC[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC001208669532 1371856671 /nfs/dbraw/zinc/85/66/71/1371856671.db2.gz MSTKJIYGGSYTAV-UHFFFAOYSA-N 2 0 329.532 3.068 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208749314 1371883865 /nfs/dbraw/zinc/88/38/65/1371883865.db2.gz QDSHNGOFBQXERR-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121237768 1371903252 /nfs/dbraw/zinc/90/32/52/1371903252.db2.gz DVKFRIKBYCHWKQ-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121294938 1371926174 /nfs/dbraw/zinc/92/61/74/1371926174.db2.gz ITHHOESMMIGZAG-IKQKDXEZSA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294984 1371926705 /nfs/dbraw/zinc/92/67/05/1371926705.db2.gz KHGYOIYMDABKHR-QKESWPNNSA-N 2 0 347.547 3.234 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208931031 1371950753 /nfs/dbraw/zinc/95/07/53/1371950753.db2.gz GYWZGWJPPDXAPX-PWRODBHTSA-N 2 0 328.500 3.400 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])C2CCCCC2)c1 ZINC001326372419 1388169399 /nfs/dbraw/zinc/16/93/99/1388169399.db2.gz YWMMAGOMXCJGNU-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP COC[C@@]12CCC[C@@H]1C[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208948050 1371958727 /nfs/dbraw/zinc/95/87/27/1371958727.db2.gz WOIOCFRAUOWQEI-HBMCJLEFSA-N 2 0 328.500 3.257 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953495 1371960778 /nfs/dbraw/zinc/96/07/78/1371960778.db2.gz PXIDTPOZTDCOFH-FPOVZHCZSA-N 2 0 337.467 3.057 20 0 EGADRP COCCC[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001209049605 1371982652 /nfs/dbraw/zinc/98/26/52/1371982652.db2.gz KMDZNKKABYDIFK-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001121475288 1371986096 /nfs/dbraw/zinc/98/60/96/1371986096.db2.gz STKHGIGTXHAKNT-FUSSNKQKSA-N 2 0 349.563 3.314 20 0 EGADRP CCOC(C)(C)C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001209075741 1371990962 /nfs/dbraw/zinc/99/09/62/1371990962.db2.gz WPVZXDVRTHTEQP-UHFFFAOYSA-N 2 0 331.504 3.185 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628546 1372030489 /nfs/dbraw/zinc/03/04/89/1372030489.db2.gz QEQJSMQOQHXANX-DHRSBNLGSA-N 2 0 349.563 3.170 20 0 EGADRP c1ccc(CCCCC[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001209236302 1372046231 /nfs/dbraw/zinc/04/62/31/1372046231.db2.gz YJVQYBXFAZPBSG-UHFFFAOYSA-N 2 0 329.532 3.113 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001209277087 1372056120 /nfs/dbraw/zinc/05/61/20/1372056120.db2.gz FWIQTIQMVQPSCQ-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CCCC1OCCO1)CC2 ZINC001209301753 1372063672 /nfs/dbraw/zinc/06/36/72/1372063672.db2.gz RMRDLCWDJFNUKO-SFHVURJKSA-N 2 0 348.487 3.109 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001209324985 1372069722 /nfs/dbraw/zinc/06/97/22/1372069722.db2.gz VPCCAKOQJFJZGK-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772504 1372076197 /nfs/dbraw/zinc/07/61/97/1372076197.db2.gz BTOVSTOVSWVGRC-YQTQZHKRSA-N 2 0 349.563 3.027 20 0 EGADRP OC1(c2ccc(Cl)cc2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209447756 1372108003 /nfs/dbraw/zinc/10/80/03/1372108003.db2.gz GFODSHPIOAZPHB-UHFFFAOYSA-N 2 0 336.907 3.499 20 0 EGADRP FC(F)(F)c1nc([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)no1 ZINC001209448570 1372108522 /nfs/dbraw/zinc/10/85/22/1372108522.db2.gz CKUXXNGXXNYGOY-CYBMUJFWSA-N 2 0 346.397 3.144 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCCN(CCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC001209451014 1372109417 /nfs/dbraw/zinc/10/94/17/1372109417.db2.gz YNOQYKZEBDEPFN-YADHBBJMSA-N 2 0 341.543 3.459 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2 ZINC001121919050 1372122923 /nfs/dbraw/zinc/12/29/23/1372122923.db2.gz PIEYXICXTOFGDV-UHFFFAOYSA-N 2 0 349.563 3.482 20 0 EGADRP CCOC(=O)c1c(C)[nH]c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1C ZINC001209609440 1372150266 /nfs/dbraw/zinc/15/02/66/1372150266.db2.gz UJBOVMBRKLAYRH-UHFFFAOYSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122063940 1372166470 /nfs/dbraw/zinc/16/64/70/1372166470.db2.gz PNQGLDFGKONITP-SSBRDVDXSA-N 2 0 347.547 3.090 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001209688531 1372170187 /nfs/dbraw/zinc/17/01/87/1372170187.db2.gz CYBSGKBUGBJULD-PKOBYXMFSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC001122107058 1372176301 /nfs/dbraw/zinc/17/63/01/1372176301.db2.gz ZDZSXVXDWWFSBA-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cnccn3)C[C@H]21 ZINC001209780768 1372195609 /nfs/dbraw/zinc/19/56/09/1372195609.db2.gz DLRPNNNQXPWPQN-ATZDWAIDSA-N 2 0 342.512 3.271 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122248431 1372211354 /nfs/dbraw/zinc/21/13/54/1372211354.db2.gz HDRSZGCKRXVRJH-FCOWATRHSA-N 2 0 349.563 3.170 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001122284692 1372221692 /nfs/dbraw/zinc/22/16/92/1372221692.db2.gz BSDSPXYCWWWSGI-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP FC1(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC001209894487 1372225988 /nfs/dbraw/zinc/22/59/88/1372225988.db2.gz KKIUJJZAYLGCMB-UHFFFAOYSA-N 2 0 326.843 3.275 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001209951888 1372240576 /nfs/dbraw/zinc/24/05/76/1372240576.db2.gz OGCIYWLNTDWIAS-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1)c1ccccc1 ZINC001210216851 1372296134 /nfs/dbraw/zinc/29/61/34/1372296134.db2.gz AIPONPHGURWOBH-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1)c1ccc(F)cc1 ZINC001210219820 1372297130 /nfs/dbraw/zinc/29/71/30/1372297130.db2.gz UMGPNSBDMNSKGM-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001210236275 1372300848 /nfs/dbraw/zinc/30/08/48/1372300848.db2.gz LPWWQVGADQTLIV-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCN(CC)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C)c1 ZINC001210265995 1372310051 /nfs/dbraw/zinc/31/00/51/1372310051.db2.gz JINVLRYPSLNKBS-UHFFFAOYSA-N 2 0 339.487 3.389 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001210284640 1372314099 /nfs/dbraw/zinc/31/40/99/1372314099.db2.gz WWFUNDLZQVFSOE-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428055 1372351174 /nfs/dbraw/zinc/35/11/74/1372351174.db2.gz LSAXCZDWEDMBPG-SFFCAUCYSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428058 1372351375 /nfs/dbraw/zinc/35/13/75/1372351375.db2.gz LSAXCZDWEDMBPG-VOFKWLDRSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210493278 1372366064 /nfs/dbraw/zinc/36/60/64/1372366064.db2.gz KUEAIKBTNGGQFY-FQEVSTJZSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210493466 1372366189 /nfs/dbraw/zinc/36/61/89/1372366189.db2.gz LOKONMVYDSGOHI-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210614766 1372391626 /nfs/dbraw/zinc/39/16/26/1372391626.db2.gz JEHOBYYGBPLRFY-TZIWHRDSSA-N 2 0 345.531 3.234 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001210750661 1372419271 /nfs/dbraw/zinc/41/92/71/1372419271.db2.gz HAXALQONBWGFOC-CTWPCTMYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210790158 1372427022 /nfs/dbraw/zinc/42/70/22/1372427022.db2.gz VJNBAPBFHQVRKU-FQEVSTJZSA-N 2 0 345.531 3.232 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211261879 1372514514 /nfs/dbraw/zinc/51/45/14/1372514514.db2.gz FIPHGKMIPPSNLU-HEVSSNLLSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211283584 1372520377 /nfs/dbraw/zinc/52/03/77/1372520377.db2.gz GYKXEWOJXJPPBM-IBGZPJMESA-N 2 0 345.531 3.231 20 0 EGADRP CCCCc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)cc1 ZINC001212317659 1372685252 /nfs/dbraw/zinc/68/52/52/1372685252.db2.gz GNZAHUCXSCOWHS-UHFFFAOYSA-N 2 0 328.460 3.168 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(C(F)(F)F)cc2F)no1 ZINC001212336032 1372689297 /nfs/dbraw/zinc/68/92/97/1372689297.db2.gz QJOHCKVQJSHDFX-AWEZNQCLSA-N 2 0 346.328 3.197 20 0 EGADRP c1cc(N2CCCCC2)c(Nc2cc[nH+]c(N3CCOCC3)c2)c[nH+]1 ZINC001212992315 1372814611 /nfs/dbraw/zinc/81/46/11/1372814611.db2.gz ROGSSBYCCKQCKZ-UHFFFAOYSA-N 2 0 339.443 3.047 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855883 1373130401 /nfs/dbraw/zinc/13/04/01/1373130401.db2.gz QLNLQOXGTJTVKP-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C)c1ccccc1 ZINC001214990359 1373152519 /nfs/dbraw/zinc/15/25/19/1373152519.db2.gz LYJCGPCIBMQNIL-NZSAHSFTSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001128779733 1373310227 /nfs/dbraw/zinc/31/02/27/1373310227.db2.gz XAJSIDWKNGBREM-XLIONFOSSA-N 2 0 345.531 3.451 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001216834335 1373349312 /nfs/dbraw/zinc/34/93/12/1373349312.db2.gz MSELNEJIOFYDIK-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001216844603 1373350138 /nfs/dbraw/zinc/35/01/38/1373350138.db2.gz GTYDKEZKIXPASY-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])Cc1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001217717626 1373494684 /nfs/dbraw/zinc/49/46/84/1373494684.db2.gz MDXNVZWUHSDYMV-SFHVURJKSA-N 2 0 336.439 3.402 20 0 EGADRP C[NH2+][C@H](c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1)C(C)(C)C ZINC001217737195 1373497127 /nfs/dbraw/zinc/49/71/27/1373497127.db2.gz UPKOJODOYUMZKX-JKSUJKDBSA-N 2 0 328.460 3.366 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CO[C@H]3CCC[C@@]34CC[NH2+]C4)C2)cc1 ZINC001217803115 1373502196 /nfs/dbraw/zinc/50/21/96/1373502196.db2.gz PNRIDVGEHOMYEA-ACRUOGEOSA-N 2 0 328.500 3.447 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1F ZINC001130622368 1373571000 /nfs/dbraw/zinc/57/10/00/1373571000.db2.gz FSFZYXAXGZXWEJ-HNNXBMFYSA-N 2 0 349.494 3.246 20 0 EGADRP C[NH+]1C(C)(C)CC(Oc2cccc(CN3CC[NH2+]CC3)c2)CC1(C)C ZINC001218316987 1373594439 /nfs/dbraw/zinc/59/44/39/1373594439.db2.gz KNGJBHMVNPYDOS-UHFFFAOYSA-N 2 0 345.531 3.122 20 0 EGADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccccc1Cc1ccccc1 ZINC001218948276 1373669229 /nfs/dbraw/zinc/66/92/29/1373669229.db2.gz MSXHQILHIKLMSD-IBGZPJMESA-N 2 0 339.483 3.275 20 0 EGADRP CC(C)c1ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001219268416 1373697513 /nfs/dbraw/zinc/69/75/13/1373697513.db2.gz JVKPZDVDIVQOJY-OAHLLOKOSA-N 2 0 343.393 3.094 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221870972 1373801010 /nfs/dbraw/zinc/80/10/10/1373801010.db2.gz PYNIIKYGGAFKCC-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001131815407 1373818585 /nfs/dbraw/zinc/81/85/85/1373818585.db2.gz BQIFWYJTRFFNNM-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001131844842 1373834138 /nfs/dbraw/zinc/83/41/38/1373834138.db2.gz NXPXNAJYESIKNO-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC3CCCCC3)[C@H]2C1 ZINC001223972570 1375050728 /nfs/dbraw/zinc/05/07/28/1375050728.db2.gz YMMBDCPSKHOXQL-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663751 1388355683 /nfs/dbraw/zinc/35/56/83/1388355683.db2.gz BKMYQRXMCHFSSN-WSTZPKSXSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](C(=O)NCC1CC[NH+](CC2CC(C)C2)CC1)[NH+]1CCCCCC1 ZINC001224738932 1375072875 /nfs/dbraw/zinc/07/28/75/1375072875.db2.gz FHMIBKREFBFEEZ-QPIRBTGLSA-N 2 0 349.563 3.125 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001224746368 1375074079 /nfs/dbraw/zinc/07/40/79/1375074079.db2.gz APQZZUDVHCYKRX-HBMCJLEFSA-N 2 0 328.500 3.400 20 0 EGADRP CC1CC(C[NH+]2CCC(CNC(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001225653335 1375139373 /nfs/dbraw/zinc/13/93/73/1375139373.db2.gz UGVKMHCPFFLTNU-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)CC[C@H]2C)cs1 ZINC001132105343 1375150683 /nfs/dbraw/zinc/15/06/83/1375150683.db2.gz FPQOFGYYFQTRIJ-PBHICJAKSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132106796 1375151228 /nfs/dbraw/zinc/15/12/28/1375151228.db2.gz VKDWQEXYDWZUSW-PKOBYXMFSA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132157658 1375175851 /nfs/dbraw/zinc/17/58/51/1375175851.db2.gz RVXQZPOLATXALT-WMZOPIPTSA-N 2 0 342.487 3.497 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1CCC1CC1 ZINC001132203375 1375207340 /nfs/dbraw/zinc/20/73/40/1375207340.db2.gz PHDWPBACOYUPKP-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207843 1375210520 /nfs/dbraw/zinc/21/05/20/1375210520.db2.gz XSPASZDSZLUYBO-MSOLQXFVSA-N 2 0 337.552 3.410 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214966 1375213647 /nfs/dbraw/zinc/21/36/47/1375213647.db2.gz PQXQVGSZMWLFGR-ZGKJDNBHSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132274474 1375259831 /nfs/dbraw/zinc/25/98/31/1375259831.db2.gz UVPVJIYMZLFWCU-FXAWDEMLSA-N 2 0 345.531 3.231 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@H]1C ZINC001132330207 1375308952 /nfs/dbraw/zinc/30/89/52/1375308952.db2.gz CHGZMWNJDOIMLM-IKSUFZCESA-N 2 0 346.519 3.332 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001226792833 1375336423 /nfs/dbraw/zinc/33/64/23/1375336423.db2.gz SGPBBHWNYASDRF-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132377019 1375337881 /nfs/dbraw/zinc/33/78/81/1375337881.db2.gz SOLQWNIPJDOROA-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]2C)c1 ZINC001132376146 1375338303 /nfs/dbraw/zinc/33/83/03/1375338303.db2.gz KDYVNDYVBCRNTQ-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001226890421 1375353141 /nfs/dbraw/zinc/35/31/41/1375353141.db2.gz NHXIEKXSJUCRPR-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132409647 1375358273 /nfs/dbraw/zinc/35/82/73/1375358273.db2.gz CIIJJGSHRLWEJL-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132420284 1375367657 /nfs/dbraw/zinc/36/76/57/1375367657.db2.gz PZJIRFJQJYPKMV-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132435780 1375379532 /nfs/dbraw/zinc/37/95/32/1375379532.db2.gz GTKVANBBMYCVPZ-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435498 1375380456 /nfs/dbraw/zinc/38/04/56/1375380456.db2.gz FAUKITVBZZVIKR-ROUUACIJSA-N 2 0 325.541 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCC2)C1 ZINC001132436370 1375381248 /nfs/dbraw/zinc/38/12/48/1375381248.db2.gz KWUZXQUIOXJTOQ-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)C)C1 ZINC001132436533 1375381822 /nfs/dbraw/zinc/38/18/22/1375381822.db2.gz LWORHLYFTQZAFM-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)C)C1 ZINC001132436535 1375381841 /nfs/dbraw/zinc/38/18/41/1375381841.db2.gz LWORHLYFTQZAFM-ZWKOTPCHSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2CC)C1 ZINC001132440559 1375385591 /nfs/dbraw/zinc/38/55/91/1375385591.db2.gz CIBUAHHMCZLDEE-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132442228 1375386801 /nfs/dbraw/zinc/38/68/01/1375386801.db2.gz XMNAYMFBUAZRTD-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132517423 1375435759 /nfs/dbraw/zinc/43/57/59/1375435759.db2.gz CCQYMRLRVDCLQI-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132526222 1375442441 /nfs/dbraw/zinc/44/24/41/1375442441.db2.gz ZJENHCRLSIHKCB-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001227619803 1375454728 /nfs/dbraw/zinc/45/47/28/1375454728.db2.gz WTSYPMDWWHMVHL-LPHOPBHVSA-N 2 0 349.494 3.008 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001227877782 1375485901 /nfs/dbraw/zinc/48/59/01/1375485901.db2.gz YXBOFCUNEQTRMN-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)C)C1 ZINC001228138718 1375520057 /nfs/dbraw/zinc/52/00/57/1375520057.db2.gz WWPDMDWVDQZGIO-IPMKNSEASA-N 2 0 337.552 3.172 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795079 1375568817 /nfs/dbraw/zinc/56/88/17/1375568817.db2.gz NFDOOYSCWFYBOA-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001228435629 1375571839 /nfs/dbraw/zinc/57/18/39/1375571839.db2.gz PCPJQENRYBQDAC-VAMGGRTRSA-N 2 0 345.531 3.098 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132823255 1375584585 /nfs/dbraw/zinc/58/45/85/1375584585.db2.gz BTCULEYOSOMPAB-RBUKOAKNSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132832814 1375589514 /nfs/dbraw/zinc/58/95/14/1375589514.db2.gz ZZUHPCDZQRRSOT-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228618252 1375619144 /nfs/dbraw/zinc/61/91/44/1375619144.db2.gz HNNIKNUFVIRAEX-OSFIAYCASA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCC1CCCC1 ZINC001132892324 1375629001 /nfs/dbraw/zinc/62/90/01/1375629001.db2.gz DJDYKXFJNFDJLP-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132893870 1375630373 /nfs/dbraw/zinc/63/03/73/1375630373.db2.gz SZGWCTXWLASWMW-YZBXUTEPSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132936675 1375656657 /nfs/dbraw/zinc/65/66/57/1375656657.db2.gz CXKWLPBMAAUZCC-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001132936900 1375656876 /nfs/dbraw/zinc/65/68/76/1375656876.db2.gz FEZCLTHVYWOCFE-MJGOQNOKSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950281 1375666893 /nfs/dbraw/zinc/66/68/93/1375666893.db2.gz LIGXMEJUSIFNLZ-RBUKOAKNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001132950347 1375666978 /nfs/dbraw/zinc/66/69/78/1375666978.db2.gz MFNLSULLZBMTEZ-MSOLQXFVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)c1ccc(C(C)(C)C)cc1 ZINC001132995054 1375702154 /nfs/dbraw/zinc/70/21/54/1375702154.db2.gz KFOAYFJGGSHKPR-MRXNPFEDSA-N 2 0 345.531 3.093 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229074328 1375757747 /nfs/dbraw/zinc/75/77/47/1375757747.db2.gz YJBDYFWMLBEAMN-YLJYHZDGSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001133073899 1375760471 /nfs/dbraw/zinc/76/04/71/1375760471.db2.gz XUEANOXCDNTXMU-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1ccc(C[NH+]2CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC2)cc1 ZINC001229200296 1375786414 /nfs/dbraw/zinc/78/64/14/1375786414.db2.gz OLINNFAPLRVZIH-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC001229214969 1375789379 /nfs/dbraw/zinc/78/93/79/1375789379.db2.gz SKNJYOFHSSRMNO-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133162237 1375816706 /nfs/dbraw/zinc/81/67/06/1375816706.db2.gz JTBFYBYLHQPZFQ-CFPAGDMOSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CC ZINC001229859939 1375905487 /nfs/dbraw/zinc/90/54/87/1375905487.db2.gz IQWCGSYXYIFZBU-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)cccc1C ZINC001229859747 1375905980 /nfs/dbraw/zinc/90/59/80/1375905980.db2.gz DEPVIQDHQJDYCG-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001133310950 1375915175 /nfs/dbraw/zinc/91/51/75/1375915175.db2.gz TXHHQSHDKCMQED-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001133333365 1375928684 /nfs/dbraw/zinc/92/86/84/1375928684.db2.gz GCMOUVOBIGFZGZ-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133347210 1375936059 /nfs/dbraw/zinc/93/60/59/1375936059.db2.gz UVLBTVAUCDZIPY-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230256928 1375977928 /nfs/dbraw/zinc/97/79/28/1375977928.db2.gz GWMYSFBYLJDMTG-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001230274710 1375981243 /nfs/dbraw/zinc/98/12/43/1375981243.db2.gz HAZSLSLBPJWNML-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001230286723 1375983586 /nfs/dbraw/zinc/98/35/86/1375983586.db2.gz RJUXMVCDMQKMFD-AQNXPRMDSA-N 2 0 349.563 3.480 20 0 EGADRP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[NH+](CC)CC ZINC001133407348 1375991523 /nfs/dbraw/zinc/99/15/23/1375991523.db2.gz DRSLNGBOTQLIMO-UHFFFAOYSA-N 2 0 339.911 3.010 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001133419674 1375998036 /nfs/dbraw/zinc/99/80/36/1375998036.db2.gz SXRPZMOAPOPALV-VQIMIIECSA-N 2 0 333.520 3.163 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001133433728 1376004290 /nfs/dbraw/zinc/00/42/90/1376004290.db2.gz AUBDAKCUJVUQPA-OXQOHEQNSA-N 2 0 341.499 3.193 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230355047 1376006885 /nfs/dbraw/zinc/00/68/85/1376006885.db2.gz RAJONRJEPNIJFJ-SNAWJCMRSA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230377925 1376010973 /nfs/dbraw/zinc/01/09/73/1376010973.db2.gz DDGGVKUUZKQJAH-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP Nc1[nH]c2ccc(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2[nH+]1 ZINC001230515297 1376049437 /nfs/dbraw/zinc/04/94/37/1376049437.db2.gz ADKSGJQMNADJJP-XAUMDUMWSA-N 2 0 348.450 3.435 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230537432 1376061310 /nfs/dbraw/zinc/06/13/10/1376061310.db2.gz GKZAMOVHULPOEG-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592001 1376089560 /nfs/dbraw/zinc/08/95/60/1376089560.db2.gz OXJIFPBDAXFHSO-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1)[NH+](CC)CC ZINC001230598256 1376092528 /nfs/dbraw/zinc/09/25/28/1376092528.db2.gz JEHDFUDFDPQRLH-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001230598522 1376093975 /nfs/dbraw/zinc/09/39/75/1376093975.db2.gz REGDKJGPYJWLED-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001230617561 1376103663 /nfs/dbraw/zinc/10/36/63/1376103663.db2.gz CQYHWVAWDOKQQF-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631036 1376108659 /nfs/dbraw/zinc/10/86/59/1376108659.db2.gz WZBJRWRCEHVVJN-YJJPMGAVSA-N 2 0 349.563 3.386 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001133856929 1376235936 /nfs/dbraw/zinc/23/59/36/1376235936.db2.gz WCVZCKCNCMGWGK-PXNSSMCTSA-N 2 0 349.494 3.056 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001133965925 1376289167 /nfs/dbraw/zinc/28/91/67/1376289167.db2.gz PWFAMUKBTDOWLC-QAPCUYQASA-N 2 0 333.520 3.091 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001133968098 1376289415 /nfs/dbraw/zinc/28/94/15/1376289415.db2.gz NMKXIYHEZREUFS-NHYWBVRUSA-N 2 0 346.302 3.100 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccc2c[nH]nc21 ZINC001231973675 1376367588 /nfs/dbraw/zinc/36/75/88/1376367588.db2.gz DGXZWWHNKOTSPW-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc(C)nc(C)c1 ZINC001232002236 1376378666 /nfs/dbraw/zinc/37/86/66/1376378666.db2.gz ZCVSWHWFLDMDHC-UHFFFAOYSA-N 2 0 334.552 3.184 20 0 EGADRP c1c2c[nH+]ccc2[nH]c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001232014105 1376381429 /nfs/dbraw/zinc/38/14/29/1376381429.db2.gz KFIGMFINCPCGAD-LAUBAEHRSA-N 2 0 332.451 3.269 20 0 EGADRP O=C1OC2(CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)c2ccccc21 ZINC001232014293 1376383653 /nfs/dbraw/zinc/38/36/53/1376383653.db2.gz MPWJQVAXNJNGBE-UHFFFAOYSA-N 2 0 333.391 3.225 20 0 EGADRP CCOC[C@H]1COCCC12CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232014504 1376383722 /nfs/dbraw/zinc/38/37/22/1376383722.db2.gz JZMYCUUQMGKPOC-KRWDZBQOSA-N 2 0 343.471 3.218 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cc5c[nH+]ccc5[nH]4)C[C@@H]3C2)cc1 ZINC001232014199 1376384902 /nfs/dbraw/zinc/38/49/02/1376384902.db2.gz ZXGOMWBMNJYKNH-PMACEKPBSA-N 2 0 346.478 3.435 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnsc3)C[C@@H]21 ZINC001232228144 1376419771 /nfs/dbraw/zinc/41/97/71/1376419771.db2.gz MRHPNSXVIMQXCF-YTQUADARSA-N 2 0 342.512 3.271 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2C(=O)OC ZINC001232711474 1376507999 /nfs/dbraw/zinc/50/79/99/1376507999.db2.gz OXQJDHSRVINKHX-UHFFFAOYSA-N 2 0 331.460 3.118 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)nc3Cl)C[C@@H]2C1 ZINC001232791124 1376514261 /nfs/dbraw/zinc/51/42/61/1376514261.db2.gz IVANBHZHQHEILR-PWSUYJOCSA-N 2 0 333.785 3.137 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134521174 1376575150 /nfs/dbraw/zinc/57/51/50/1376575150.db2.gz XICKCAPDPRIYJK-KBPBESRZSA-N 2 0 325.522 3.096 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612336 1376624541 /nfs/dbraw/zinc/62/45/41/1376624541.db2.gz LEIGEVOBXJMBMW-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001134754594 1376700571 /nfs/dbraw/zinc/70/05/71/1376700571.db2.gz VTPPJQZZSOQFLX-HKUYNNGSSA-N 2 0 331.504 3.108 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001134772371 1376712632 /nfs/dbraw/zinc/71/26/32/1376712632.db2.gz COCOPVWAIKXBFW-HZPDHXFCSA-N 2 0 327.557 3.416 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001134773140 1376713526 /nfs/dbraw/zinc/71/35/26/1376713526.db2.gz LSHCMHADIJVRGC-SJORKVTESA-N 2 0 333.520 3.098 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134781870 1376716620 /nfs/dbraw/zinc/71/66/20/1376716620.db2.gz BOGYIGKASNVGHK-IAGOWNOFSA-N 2 0 348.535 3.217 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C/C=C\Cl ZINC001134790398 1376722860 /nfs/dbraw/zinc/72/28/60/1376722860.db2.gz BUTCQIMIPRTQNF-DLTMEVEPSA-N 2 0 343.943 3.265 20 0 EGADRP Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C)ccc2c[nH+]cn21 ZINC001134820465 1376741626 /nfs/dbraw/zinc/74/16/26/1376741626.db2.gz JTBGYHCDIHPYGP-HUUCEWRRSA-N 2 0 330.476 3.175 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)(C)C ZINC001234215690 1376787295 /nfs/dbraw/zinc/78/72/95/1376787295.db2.gz OPEUMGBAIJJZRR-ZWKOTPCHSA-N 2 0 337.552 3.218 20 0 EGADRP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235035745 1376834045 /nfs/dbraw/zinc/83/40/45/1376834045.db2.gz HQQAWMGHNOHRDB-FGZHOGPDSA-N 2 0 336.479 3.472 20 0 EGADRP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235043776 1376840491 /nfs/dbraw/zinc/84/04/91/1376840491.db2.gz HEFSDKVTOYFGEM-IBGZPJMESA-N 2 0 348.560 3.027 20 0 EGADRP COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431115 1376872097 /nfs/dbraw/zinc/87/20/97/1376872097.db2.gz UYMCIABGDCCWKK-DLBZAZTESA-N 2 0 332.488 3.224 20 0 EGADRP CC(C)Oc1ncccc1CC[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703897 1376884079 /nfs/dbraw/zinc/88/40/79/1376884079.db2.gz VDRORWKTRJQCLC-UHFFFAOYSA-N 2 0 331.504 3.123 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102301 1376899129 /nfs/dbraw/zinc/89/91/29/1376899129.db2.gz CBKIXDLAHVORMI-ICSRJNTNSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102089 1376899314 /nfs/dbraw/zinc/89/93/14/1376899314.db2.gz WTOCYCLQAOXSAF-QZTJIDSGSA-N 2 0 347.547 3.323 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102300 1376899947 /nfs/dbraw/zinc/89/99/47/1376899947.db2.gz CBKIXDLAHVORMI-AZUAARDMSA-N 2 0 343.515 3.033 20 0 EGADRP CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(OCC)c1 ZINC001235884048 1376910052 /nfs/dbraw/zinc/91/00/52/1376910052.db2.gz QZQQXRJWEVAQMW-LJQANCHMSA-N 2 0 332.488 3.448 20 0 EGADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccccc3-c3cccs3)C2)C1 ZINC001236077480 1376931875 /nfs/dbraw/zinc/93/18/75/1376931875.db2.gz IDEWMDSENNQUON-QGZVFWFLSA-N 2 0 327.497 3.022 20 0 EGADRP [NH3+]C12CC(CCN(Cc3ccccc3Cl)C3CC[NH2+]CC3)(C1)C2 ZINC001236450262 1376953823 /nfs/dbraw/zinc/95/38/23/1376953823.db2.gz GCWAZOJCLCYXLK-UHFFFAOYSA-N 2 0 333.907 3.166 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1occc1C[NH+](C)C)[NH2+]CCC1CCCC1 ZINC001135297568 1377025995 /nfs/dbraw/zinc/02/59/95/1377025995.db2.gz DRNWCTVCOCGOIP-CVEARBPZSA-N 2 0 349.519 3.408 20 0 EGADRP CCOc1cncc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)c1 ZINC001242659622 1377026906 /nfs/dbraw/zinc/02/69/06/1377026906.db2.gz POPQKXPHZZSSRO-UHFFFAOYSA-N 2 0 325.456 3.318 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1occc1C[NH+](C)C ZINC001135308042 1377029377 /nfs/dbraw/zinc/02/93/77/1377029377.db2.gz NEAMRAQZWCXSDB-JKSUJKDBSA-N 2 0 343.471 3.028 20 0 EGADRP Brc1cccc2c1C[C@H]([NH2+]C1CCC3(C[NH2+]C3)CC1)CC2 ZINC001246380492 1377051590 /nfs/dbraw/zinc/05/15/90/1377051590.db2.gz WKWCUAJADIZWQC-OAHLLOKOSA-N 2 0 349.316 3.428 20 0 EGADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545618 1377052112 /nfs/dbraw/zinc/05/21/12/1377052112.db2.gz WHTCKNZBRCMCJP-SJCJKPOMSA-N 2 0 346.849 3.115 20 0 EGADRP c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)[NH2+]4)C3)nc1 ZINC001246725098 1377053553 /nfs/dbraw/zinc/05/35/53/1377053553.db2.gz OGVIXKLTMSWIAS-YRIDSSQKSA-N 2 0 341.499 3.236 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246938179 1377056429 /nfs/dbraw/zinc/05/64/29/1377056429.db2.gz RQOZHPIPTSYJJB-PLACYPQZSA-N 2 0 345.506 3.395 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001135373090 1377060260 /nfs/dbraw/zinc/06/02/60/1377060260.db2.gz UMWOPNCITNQTRQ-DLBZAZTESA-N 2 0 333.520 3.135 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375496 1377061428 /nfs/dbraw/zinc/06/14/28/1377061428.db2.gz MIYVIFFVDYKBFW-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])Cc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001248220366 1377067298 /nfs/dbraw/zinc/06/72/98/1377067298.db2.gz BEWLWJOOZSIVMQ-SFHVURJKSA-N 2 0 336.439 3.402 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)c2cc[nH]c21 ZINC001248817924 1377070264 /nfs/dbraw/zinc/07/02/64/1377070264.db2.gz QKBVNKHRUGZUNO-UHFFFAOYSA-N 2 0 334.483 3.012 20 0 EGADRP CC[NH+](CC)CCCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252394827 1377088863 /nfs/dbraw/zinc/08/88/63/1377088863.db2.gz RJKAGPMEPMKWJI-LJQANCHMSA-N 2 0 344.499 3.291 20 0 EGADRP O[C@]1(CNc2cccc3ccncc32)CC[N@H+](Cc2ccccc2)C1 ZINC001252935006 1377093805 /nfs/dbraw/zinc/09/38/05/1377093805.db2.gz ASYQKFISXFJPAX-NRFANRHFSA-N 2 0 333.435 3.284 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001135437847 1377097689 /nfs/dbraw/zinc/09/76/89/1377097689.db2.gz YZCWLXGVDVBLHD-UHFFFAOYSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C(C)(C)Cc1cccc(C(F)(F)F)c1 ZINC001253410633 1377097805 /nfs/dbraw/zinc/09/78/05/1377097805.db2.gz NVMGPKNBPDYAMA-OAHLLOKOSA-N 2 0 346.437 3.365 20 0 EGADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C(C)(C)Cc1ccccc1C(F)(F)F ZINC001253411904 1377098122 /nfs/dbraw/zinc/09/81/22/1377098122.db2.gz YRGLDYZNVPCUAA-CQSZACIVSA-N 2 0 346.437 3.365 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CCCc1ccccc1C ZINC001135441093 1377099658 /nfs/dbraw/zinc/09/96/58/1377099658.db2.gz ZAFGGDADEMULHP-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001254509347 1377105364 /nfs/dbraw/zinc/10/53/64/1377105364.db2.gz ZSHKFIRGGDMRAQ-IRXDYDNUSA-N 2 0 337.305 3.380 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468437 1377107616 /nfs/dbraw/zinc/10/76/16/1377107616.db2.gz PLIAQQOIVHLSMU-QZTJIDSGSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)C(C)C ZINC001135474082 1377110230 /nfs/dbraw/zinc/11/02/30/1377110230.db2.gz GOBXETMUAFIAGD-PMACEKPBSA-N 2 0 345.531 3.136 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135476370 1377110532 /nfs/dbraw/zinc/11/05/32/1377110532.db2.gz KBWJOVXNTKROOR-ROUUACIJSA-N 2 0 347.547 3.346 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1)C(C)C ZINC001135477631 1377111714 /nfs/dbraw/zinc/11/17/14/1377111714.db2.gz LYGLBNKXCIQPBJ-HXUWFJFHSA-N 2 0 347.547 3.382 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001257100202 1377113308 /nfs/dbraw/zinc/11/33/08/1377113308.db2.gz AQIQDWJHEKISBH-JKSUJKDBSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135482057 1377114313 /nfs/dbraw/zinc/11/43/13/1377114313.db2.gz ZZAOROZXSGNNBP-LSDHHAIUSA-N 2 0 339.549 3.099 20 0 EGADRP CC(C)CC(CC(C)C)[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001258835456 1377119619 /nfs/dbraw/zinc/11/96/19/1377119619.db2.gz YJORDZYHNFGMLZ-UHFFFAOYSA-N 2 0 343.519 3.447 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001265630943 1377156588 /nfs/dbraw/zinc/15/65/88/1377156588.db2.gz SUGMKMXXNUIEIE-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCCC1 ZINC001135676415 1377180897 /nfs/dbraw/zinc/18/08/97/1377180897.db2.gz WOKSDFCZIMEILJ-SJORKVTESA-N 2 0 345.531 3.425 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135743221 1377199320 /nfs/dbraw/zinc/19/93/20/1377199320.db2.gz HBTUCCMDHOTSJZ-IRXDYDNUSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001135767765 1377206339 /nfs/dbraw/zinc/20/63/39/1377206339.db2.gz HZFFCRYCCNDKCU-MOPGFXCFSA-N 2 0 345.531 3.100 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001266175015 1377216781 /nfs/dbraw/zinc/21/67/81/1377216781.db2.gz BSECYTKFPFBUAU-RDJZCZTQSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135861517 1377238589 /nfs/dbraw/zinc/23/85/89/1377238589.db2.gz RXZOHXPOOKNEQN-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266245462 1377243796 /nfs/dbraw/zinc/24/37/96/1377243796.db2.gz BKRJVXVMDPVGNA-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135900700 1377254916 /nfs/dbraw/zinc/25/49/16/1377254916.db2.gz AEUQONDYUOFVFL-OSFIAYCASA-N 2 0 349.563 3.338 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001135908288 1377258089 /nfs/dbraw/zinc/25/80/89/1377258089.db2.gz WDDIKTQKHFOHGX-MSOLQXFVSA-N 2 0 327.557 3.418 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944192 1377272832 /nfs/dbraw/zinc/27/28/32/1377272832.db2.gz GMERIHSMGUMGIO-HZPDHXFCSA-N 2 0 346.519 3.214 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135945326 1377273659 /nfs/dbraw/zinc/27/36/59/1377273659.db2.gz YTCDPRWSPNNWLS-CVEARBPZSA-N 2 0 334.508 3.214 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135991497 1377289774 /nfs/dbraw/zinc/28/97/74/1377289774.db2.gz FBMRNCGOXJPGMT-OALUTQOASA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1CC ZINC001135992888 1377291550 /nfs/dbraw/zinc/29/15/50/1377291550.db2.gz WDMPRIHSOYSFKC-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135995628 1377292165 /nfs/dbraw/zinc/29/21/65/1377292165.db2.gz IRYWLPTYNLOBAZ-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001266595763 1377341554 /nfs/dbraw/zinc/34/15/54/1377341554.db2.gz GTJXCKSMJWTPPJ-WKILWMFISA-N 2 0 337.533 3.096 20 0 EGADRP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC001137208741 1377497049 /nfs/dbraw/zinc/49/70/49/1377497049.db2.gz LIBYUYXBEHQQQG-OALUTQOASA-N 2 0 345.531 3.278 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCC[N@H+](Cc4cncnc4)C3)CC2)cc1 ZINC001137671219 1377586764 /nfs/dbraw/zinc/58/67/64/1377586764.db2.gz BMCAWUBVALGABD-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP CC(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001271758828 1377649166 /nfs/dbraw/zinc/64/91/66/1377649166.db2.gz HSVIVJKADNNNMN-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)ccc(F)c1Cl ZINC001138004094 1377663062 /nfs/dbraw/zinc/66/30/62/1377663062.db2.gz WSFKQCWJQXXRBF-UHFFFAOYSA-N 2 0 347.881 3.324 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001138428327 1377722363 /nfs/dbraw/zinc/72/23/63/1377722363.db2.gz HCFIAKVFWNWVOO-UHFFFAOYSA-N 2 0 347.547 3.162 20 0 EGADRP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(C)c1 ZINC001138435221 1377723688 /nfs/dbraw/zinc/72/36/88/1377723688.db2.gz DGEXFFSEURKUOW-UHFFFAOYSA-N 2 0 325.456 3.419 20 0 EGADRP Cc1cccc(Cl)c1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001138720090 1377772800 /nfs/dbraw/zinc/77/28/00/1377772800.db2.gz OKVLDUVLPJLHMZ-UHFFFAOYSA-N 2 0 325.928 3.354 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3ccncn3)C[C@@H]21 ZINC001140343333 1378050298 /nfs/dbraw/zinc/05/02/98/1378050298.db2.gz DHTQUDNLSNXBIP-ZYSHUDEJSA-N 2 0 342.512 3.271 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2cccc(Cl)c12 ZINC001140436245 1378062645 /nfs/dbraw/zinc/06/26/45/1378062645.db2.gz UGOAFBFIKOKZSE-ZWKOTPCHSA-N 2 0 346.906 3.032 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140705315 1378119515 /nfs/dbraw/zinc/11/95/15/1378119515.db2.gz IAWOYBPEMXQYHL-KRWDZBQOSA-N 2 0 345.512 3.332 20 0 EGADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC001275722225 1378153764 /nfs/dbraw/zinc/15/37/64/1378153764.db2.gz OWGAEROEGZHNOD-UHFFFAOYSA-N 2 0 338.455 3.187 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001140970816 1378196196 /nfs/dbraw/zinc/19/61/96/1378196196.db2.gz VOCCPOZFMYXWBZ-UHFFFAOYSA-N 2 0 337.458 3.306 20 0 EGADRP Cc1ncoc1C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001141054303 1378223241 /nfs/dbraw/zinc/22/32/41/1378223241.db2.gz SCWSQEYYHPMGFQ-UHFFFAOYSA-N 2 0 340.471 3.255 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccnc(-c3ccc(F)cc3)c1)CC2 ZINC001141120322 1378243686 /nfs/dbraw/zinc/24/36/86/1378243686.db2.gz PNYGOZWTRFSPMU-UHFFFAOYSA-N 2 0 325.431 3.415 20 0 EGADRP C[NH+](C)C1CCN(C(=O)C23CC([NH2+]CCCC4CCCC4)(C2)C3)CC1 ZINC001278021976 1378254724 /nfs/dbraw/zinc/25/47/24/1378254724.db2.gz OCXXOJUAOSRQCH-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP c1cn2cccc(C[NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)c2n1 ZINC001142961670 1378517789 /nfs/dbraw/zinc/51/77/89/1378517789.db2.gz OKTSZPDWKWVBSI-UHFFFAOYSA-N 2 0 346.478 3.432 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001143265016 1378572356 /nfs/dbraw/zinc/57/23/56/1378572356.db2.gz UYNKMDMXTZQUOE-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001144185076 1378695031 /nfs/dbraw/zinc/69/50/31/1378695031.db2.gz IPJGWYSPNJVDKT-SFHVURJKSA-N 2 0 339.568 3.325 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001146337514 1378820108 /nfs/dbraw/zinc/82/01/08/1378820108.db2.gz CWOAQRRFPBSOHK-QZTJIDSGSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001146339098 1378820654 /nfs/dbraw/zinc/82/06/54/1378820654.db2.gz JLWVBXHXEANFII-MOPGFXCFSA-N 2 0 345.531 3.081 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CCC[NH+]1CCCC1 ZINC001146532718 1378861450 /nfs/dbraw/zinc/86/14/50/1378861450.db2.gz BZPSZHUFOKZYAX-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583450 1378870770 /nfs/dbraw/zinc/87/07/70/1378870770.db2.gz LFIUBURXCVGGTO-HZPDHXFCSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583692 1378870910 /nfs/dbraw/zinc/87/09/10/1378870910.db2.gz NXITVWHNYORYGJ-DLBZAZTESA-N 2 0 345.531 3.425 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001146608775 1378876728 /nfs/dbraw/zinc/87/67/28/1378876728.db2.gz BDQOOLQWBXZQDV-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCC2)o1 ZINC001146699424 1378899397 /nfs/dbraw/zinc/89/93/97/1378899397.db2.gz CMBXBAIBYFYZRA-CVEARBPZSA-N 2 0 349.519 3.408 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001147359547 1379009341 /nfs/dbraw/zinc/00/93/41/1379009341.db2.gz RJMYVSOFHKDPKL-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+]CCCC1CCCC1)c1ccccc1 ZINC001147411001 1379016397 /nfs/dbraw/zinc/01/63/97/1379016397.db2.gz XOOYWZHKPFGXLU-OAQYLSRUSA-N 2 0 345.531 3.140 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1csc(C)c1 ZINC001147449343 1379022901 /nfs/dbraw/zinc/02/29/01/1379022901.db2.gz ONOWKDRMJZIZNF-UHFFFAOYSA-N 2 0 339.549 3.165 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541186 1379039326 /nfs/dbraw/zinc/03/93/26/1379039326.db2.gz LKWNTAXEEDQWQQ-OVKVCFKUSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147987117 1379103233 /nfs/dbraw/zinc/10/32/33/1379103233.db2.gz YDWLEGRRMGROOH-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001283679494 1379108892 /nfs/dbraw/zinc/10/88/92/1379108892.db2.gz WJLZGOINQPKDCG-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001283692529 1379122319 /nfs/dbraw/zinc/12/23/19/1379122319.db2.gz JDZQIQUZPBXYAQ-ROUUACIJSA-N 2 0 339.568 3.226 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001283692528 1379122375 /nfs/dbraw/zinc/12/23/75/1379122375.db2.gz JDZQIQUZPBXYAQ-QZTJIDSGSA-N 2 0 339.568 3.226 20 0 EGADRP CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611888 1379225759 /nfs/dbraw/zinc/22/57/59/1379225759.db2.gz RASKJXZWPZPLJZ-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148812929 1379274142 /nfs/dbraw/zinc/27/41/42/1379274142.db2.gz ZGNNGNICXIQLDZ-LXORQPIJSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC001149140458 1379332590 /nfs/dbraw/zinc/33/25/90/1379332590.db2.gz WGIWYGYWYUPFCV-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC001149140460 1379332688 /nfs/dbraw/zinc/33/26/88/1379332688.db2.gz WGIWYGYWYUPFCV-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CN1C(=O)CCC[NH+](C)C ZINC001284006290 1379357123 /nfs/dbraw/zinc/35/71/23/1379357123.db2.gz ZEPXCRJOEXYSHN-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152340113 1379914017 /nfs/dbraw/zinc/91/40/17/1379914017.db2.gz GSSLQWWMEYBYQC-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001152470466 1379939628 /nfs/dbraw/zinc/93/96/28/1379939628.db2.gz BJLSRNBKPIGHCQ-WOJBJXKFSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CCC1CCCCCC1)[NH+]1CCCC1 ZINC001152479828 1379940781 /nfs/dbraw/zinc/94/07/81/1379940781.db2.gz KVOWTDKTDQCTFT-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313658 1380053348 /nfs/dbraw/zinc/05/33/48/1380053348.db2.gz UURWWEIEIFSZRI-AMQGLKLZSA-N 2 0 337.552 3.432 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313662 1380053377 /nfs/dbraw/zinc/05/33/77/1380053377.db2.gz UURWWEIEIFSZRI-COQIJWMOSA-N 2 0 337.552 3.432 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312526 1380053428 /nfs/dbraw/zinc/05/34/28/1380053428.db2.gz JGFGZTQUURTZCD-IAGOWNOFSA-N 2 0 325.541 3.122 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677928 1380113675 /nfs/dbraw/zinc/11/36/75/1380113675.db2.gz RWJHJBNBCZQRKC-LSDHHAIUSA-N 2 0 339.549 3.296 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153802308 1380132393 /nfs/dbraw/zinc/13/23/93/1380132393.db2.gz IUBBTHLBWBQHGU-TYFAACHXSA-N 2 0 337.552 3.147 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828159 1380138159 /nfs/dbraw/zinc/13/81/59/1380138159.db2.gz HQMFDUIWTAMBCI-QGZVFWFLSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828126 1380138316 /nfs/dbraw/zinc/13/83/16/1380138316.db2.gz HEKGECDPIHWBRN-LXPRWKDFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854699 1380144328 /nfs/dbraw/zinc/14/43/28/1380144328.db2.gz REQUDUCVDLRYSJ-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCc1ccccc1)[NH+](C)C ZINC001154001817 1380174882 /nfs/dbraw/zinc/17/48/82/1380174882.db2.gz XLXYSLKBNRKSQR-UYAOXDASSA-N 2 0 347.547 3.176 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/c1ccccc1)[NH+](C)C ZINC001154000882 1380174888 /nfs/dbraw/zinc/17/48/88/1380174888.db2.gz LPPGJVVTKQCDEE-LUTBZEOJSA-N 2 0 345.531 3.257 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccc(C)cc1)[NH+](C)C ZINC001154000435 1380175149 /nfs/dbraw/zinc/17/51/49/1380175149.db2.gz AYJIIDLREAVJHL-UYAOXDASSA-N 2 0 347.547 3.094 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123295 1380212926 /nfs/dbraw/zinc/21/29/26/1380212926.db2.gz TVIKONFZBBOBOP-RTBURBONSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167972 1380219867 /nfs/dbraw/zinc/21/98/67/1380219867.db2.gz XPEKBSMDYWXQRC-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481669 1380285627 /nfs/dbraw/zinc/28/56/27/1380285627.db2.gz QGJMDTOOICNQDW-QZTJIDSGSA-N 2 0 347.547 3.277 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580666 1380309556 /nfs/dbraw/zinc/30/95/56/1380309556.db2.gz ZMYFOLZLKQZMHR-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001154785033 1380350683 /nfs/dbraw/zinc/35/06/83/1380350683.db2.gz WRWJRYRRIJCYRM-TYFAACHXSA-N 2 0 337.552 3.291 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC2CCCC2)C1 ZINC001154784851 1380350742 /nfs/dbraw/zinc/35/07/42/1380350742.db2.gz NHCATHSQEKYQRO-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CC1CC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844526 1380363441 /nfs/dbraw/zinc/36/34/41/1380363441.db2.gz LWKTXTUBQXKTQY-VQIMIIECSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180707 1380420219 /nfs/dbraw/zinc/42/02/19/1380420219.db2.gz MPGSROAGKPVCCM-ASDDNKKMSA-N 2 0 325.541 3.290 20 0 EGADRP CC[N@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226111 1380426332 /nfs/dbraw/zinc/42/63/32/1380426332.db2.gz HMCARMIOBGSUDZ-LZZACLKFSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255245 1380429491 /nfs/dbraw/zinc/42/94/91/1380429491.db2.gz OSORGZQOARQBDT-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155262777 1380430162 /nfs/dbraw/zinc/43/01/62/1380430162.db2.gz HLSUECVDRCLNLG-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155619962 1380474621 /nfs/dbraw/zinc/47/46/21/1380474621.db2.gz FAZDGCKYQSXPMH-QUCCMNQESA-N 2 0 345.531 3.276 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621094 1380475018 /nfs/dbraw/zinc/47/50/18/1380475018.db2.gz MZSKRKXOTHFLOZ-JCMVTEASSA-N 2 0 337.552 3.432 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC[C@@H](C)F ZINC001155878164 1380501947 /nfs/dbraw/zinc/50/19/47/1380501947.db2.gz WHIQLUPKZFDEEK-IAGOWNOFSA-N 2 0 331.520 3.073 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF)C(C)C ZINC001155883968 1380502342 /nfs/dbraw/zinc/50/23/42/1380502342.db2.gz UJUVDFZGPQGVLZ-MSOLQXFVSA-N 2 0 345.547 3.319 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994294 1380511789 /nfs/dbraw/zinc/51/17/89/1380511789.db2.gz PXXSHMDMUGKFKN-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131242 1380529244 /nfs/dbraw/zinc/52/92/44/1380529244.db2.gz JCHXWTOVMYMSGB-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(C)C ZINC001156306920 1380555322 /nfs/dbraw/zinc/55/53/22/1380555322.db2.gz WPNXLKNFZDGWLV-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CCc1cccc(C[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C)c1 ZINC001156466818 1380579672 /nfs/dbraw/zinc/57/96/72/1380579672.db2.gz WOLONGGJVUTVIW-GOSISDBHSA-N 2 0 347.547 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C1CC1 ZINC001156531098 1380589317 /nfs/dbraw/zinc/58/93/17/1380589317.db2.gz WRVHTRXYEPBCPQ-QGZVFWFLSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156889671 1380719613 /nfs/dbraw/zinc/71/96/13/1380719613.db2.gz BSLYNULWPMTUHH-XLIONFOSSA-N 2 0 345.531 3.088 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001156925291 1380730395 /nfs/dbraw/zinc/73/03/95/1380730395.db2.gz HBNGWFOVNKGBQN-QGZVFWFLSA-N 3 0 346.519 3.231 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091776 1380774489 /nfs/dbraw/zinc/77/44/89/1380774489.db2.gz BDEHHRNUZKATTF-RBUKOAKNSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157108737 1380777048 /nfs/dbraw/zinc/77/70/48/1380777048.db2.gz CDSNZPAJUFXLGR-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109007 1380777390 /nfs/dbraw/zinc/77/73/90/1380777390.db2.gz FVVATBMFABIKAF-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(c3ccc([C@@H]4CCCC[NH+]4CC)cn3)C[C@H]2C1 ZINC001157698063 1381006549 /nfs/dbraw/zinc/00/65/49/1381006549.db2.gz BICCEIIOIKEXOB-ZCNNSNEGSA-N 2 0 342.531 3.407 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001157887419 1381060806 /nfs/dbraw/zinc/06/08/06/1381060806.db2.gz VHJQHFFLZBKYKC-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157951130 1381079917 /nfs/dbraw/zinc/07/99/17/1381079917.db2.gz PUQDKVVFEUGRIG-MOPGFXCFSA-N 2 0 335.536 3.138 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001157957581 1381081240 /nfs/dbraw/zinc/08/12/40/1381081240.db2.gz FLMFSCBXBQSVDQ-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH3+])c1cccc(C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001158043977 1381110631 /nfs/dbraw/zinc/11/06/31/1381110631.db2.gz ANWQRZDMYXRAIS-OXQOHEQNSA-N 2 0 329.488 3.092 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]CCC1CCCCC1)[NH+]1CCCCC1 ZINC001158072767 1381121473 /nfs/dbraw/zinc/12/14/73/1381121473.db2.gz CKLQGZDISDKGRT-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097776 1381126221 /nfs/dbraw/zinc/12/62/21/1381126221.db2.gz DYFCYIWXAXFGOR-DDKKJVIOSA-N 2 0 335.536 3.093 20 0 EGADRP Cc1c[nH+]c(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1N ZINC001158147689 1381141540 /nfs/dbraw/zinc/14/15/40/1381141540.db2.gz GMFVRFRFVJXSOZ-WKILWMFISA-N 2 0 328.435 3.388 20 0 EGADRP C[N@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227758 1381167327 /nfs/dbraw/zinc/16/73/27/1381167327.db2.gz OJDZKPGFWCQEMS-LJQANCHMSA-N 2 0 340.471 3.061 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158437782 1381245784 /nfs/dbraw/zinc/24/57/84/1381245784.db2.gz DBCLPZLZZVEVNV-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158446181 1381248414 /nfs/dbraw/zinc/24/84/14/1381248414.db2.gz WFSXDUHGNPCZBT-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCCC1 ZINC001158450448 1381249135 /nfs/dbraw/zinc/24/91/35/1381249135.db2.gz QZQFTVIVJUGLJJ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158472967 1381257935 /nfs/dbraw/zinc/25/79/35/1381257935.db2.gz HTMJWXQOIIJCHF-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480185 1381261674 /nfs/dbraw/zinc/26/16/74/1381261674.db2.gz HOPRYXNTGBSQGS-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872476 1381444936 /nfs/dbraw/zinc/44/49/36/1381444936.db2.gz LQKNFRXGZCGLKX-LJQANCHMSA-N 2 0 337.552 3.366 20 0 EGADRP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001755607185 1440886009 /nfs/dbraw/zinc/88/60/09/1440886009.db2.gz QIIALESHGBNRDN-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC001159123161 1381619153 /nfs/dbraw/zinc/61/91/53/1381619153.db2.gz ZDRSTUSRJFADKS-UHFFFAOYSA-N 2 0 339.487 3.123 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001159155141 1381676037 /nfs/dbraw/zinc/67/60/37/1381676037.db2.gz KAXQUGYGFPIKMA-UHFFFAOYSA-N 2 0 335.517 3.020 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1 ZINC001159333716 1381767449 /nfs/dbraw/zinc/76/74/49/1381767449.db2.gz HHGBZDRCRBHGSU-LJQANCHMSA-N 2 0 340.471 3.408 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001159352028 1381774234 /nfs/dbraw/zinc/77/42/34/1381774234.db2.gz SNAVQHNHMJBKGU-GOSISDBHSA-N 2 0 340.471 3.312 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccccc1 ZINC001159355550 1381774958 /nfs/dbraw/zinc/77/49/58/1381774958.db2.gz HADVDGXIRHBSLK-RBUKOAKNSA-N 2 0 331.504 3.108 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001159784591 1381899003 /nfs/dbraw/zinc/89/90/03/1381899003.db2.gz JOVLZCGNHYHVBW-SNVBAGLBSA-N 2 0 334.638 3.026 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc(Cl)nc1Oc1ccc(Cl)cc1 ZINC001159788701 1381900485 /nfs/dbraw/zinc/90/04/85/1381900485.db2.gz KOIPYDXOBVUQOW-LBPRGKRZSA-N 2 0 342.230 3.011 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC001159823236 1381911470 /nfs/dbraw/zinc/91/14/70/1381911470.db2.gz VYMDNGRFRUJOQY-PMACEKPBSA-N 2 0 345.531 3.212 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159908256 1381934347 /nfs/dbraw/zinc/93/43/47/1381934347.db2.gz HSTWBEAKAOIPEU-VZSQWMKGSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001159911049 1381934468 /nfs/dbraw/zinc/93/44/68/1381934468.db2.gz XBYOJQDQVAFQFG-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(=O)c1ccc([C@H](C)Nc2cccc(N3CCC([NH3+])CC3)[nH+]2)cc1 ZINC001159912824 1381935011 /nfs/dbraw/zinc/93/50/11/1381935011.db2.gz BBKIUJRINUNLMS-AWEZNQCLSA-N 2 0 338.455 3.385 20 0 EGADRP c1cc(O[C@@H]2CC[NH2+]C2)ccc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001159923547 1381939021 /nfs/dbraw/zinc/93/90/21/1381939021.db2.gz QAIKYQBITOXCPI-AZUAARDMSA-N 2 0 327.472 3.371 20 0 EGADRP [NH3+]Cc1ccc(Nc2ccc(Br)c3c2C[NH2+]CC3)cc1 ZINC001159942230 1381943307 /nfs/dbraw/zinc/94/33/07/1381943307.db2.gz YSMITXCDJQDJTR-UHFFFAOYSA-N 2 0 332.245 3.297 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cc(F)ccc1N1CC[NH2+]CC1 ZINC001160045886 1381978803 /nfs/dbraw/zinc/97/88/03/1381978803.db2.gz BHIJXDNAIGESCO-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)cc1 ZINC001160046752 1381979311 /nfs/dbraw/zinc/97/93/11/1381979311.db2.gz YPTNVTSMEISRHC-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP C[NH+]1CCC(COc2ccc(F)cc2NC2=CCC[NH2+]CC2)CC1 ZINC001160144183 1382015760 /nfs/dbraw/zinc/01/57/60/1382015760.db2.gz JBUXYOZTYPMTSS-UHFFFAOYSA-N 2 0 333.451 3.226 20 0 EGADRP [NH3+]CCOc1cccc(Nc2cccc(F)c2OC2CC[NH2+]CC2)c1 ZINC001160180157 1382026082 /nfs/dbraw/zinc/02/60/82/1382026082.db2.gz KHMONPMCELKKMM-UHFFFAOYSA-N 2 0 345.418 3.038 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001160285950 1382061839 /nfs/dbraw/zinc/06/18/39/1382061839.db2.gz MAPJIFRBDACBLK-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360289 1382081957 /nfs/dbraw/zinc/08/19/57/1382081957.db2.gz NJDHEDTWKIKOPA-ICSRJNTNSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160501053 1382125028 /nfs/dbraw/zinc/12/50/28/1382125028.db2.gz VPSUUXMGUPJONS-PRPIBZDOSA-N 2 0 347.547 3.356 20 0 EGADRP Cc1cccc2cc(Cl)nc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)c12 ZINC001160521262 1382130659 /nfs/dbraw/zinc/13/06/59/1382130659.db2.gz XIAYAYUDSWZHBV-SFHVURJKSA-N 2 0 330.863 3.032 20 0 EGADRP CC[C@@H]1CCCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001292582130 1382204417 /nfs/dbraw/zinc/20/44/17/1382204417.db2.gz KAWUSJMGBOBSQL-CEXWTWQISA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)c1ccc([C@H](C)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC001160818134 1382208301 /nfs/dbraw/zinc/20/83/01/1382208301.db2.gz WVWLEFCCAFGIJS-GOSISDBHSA-N 2 0 347.547 3.255 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870005 1382219767 /nfs/dbraw/zinc/21/97/67/1382219767.db2.gz UNIDFRVFDHHDKN-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870510 1382219818 /nfs/dbraw/zinc/21/98/18/1382219818.db2.gz YJBZSOKXZUNVPK-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP [NH3+]CCc1cn(-c2ncnc3[nH]c4cc(F)ccc4c32)c2cc[nH+]cc12 ZINC001160951613 1382248814 /nfs/dbraw/zinc/24/88/14/1382248814.db2.gz JUCFPNNXHULZTI-UHFFFAOYSA-N 2 0 346.369 3.090 20 0 EGADRP Cc1c[nH]c2nc(Cl)cc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c12 ZINC001160949760 1382249011 /nfs/dbraw/zinc/24/90/11/1382249011.db2.gz CWBFHSXSNOHYGU-UHFFFAOYSA-N 2 0 325.803 3.365 20 0 EGADRP [NH3+]Cc1cc2ccncc2n1-c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001160960119 1382251053 /nfs/dbraw/zinc/25/10/53/1382251053.db2.gz OHCIRAOHPGAOLX-UHFFFAOYSA-N 2 0 341.846 3.128 20 0 EGADRP O=C(NCCC[NH2+]CC/C=C\c1ccccc1)c1cc2c[nH]ccc-2n1 ZINC001160990070 1382263603 /nfs/dbraw/zinc/26/36/03/1382263603.db2.gz CNHXWDVYHMFNMF-WTKPLQERSA-N 2 0 348.450 3.376 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008994 1382270964 /nfs/dbraw/zinc/27/09/64/1382270964.db2.gz ZYEPDUPPFQNASB-ICSRJNTNSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001161042361 1382280492 /nfs/dbraw/zinc/28/04/92/1382280492.db2.gz PDGXQIOWPHRWFL-XLIONFOSSA-N 2 0 345.531 3.451 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205848 1382340665 /nfs/dbraw/zinc/34/06/65/1382340665.db2.gz HGXLGPVILWSLKK-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001161206757 1382340965 /nfs/dbraw/zinc/34/09/65/1382340965.db2.gz MWIOXIRDAGXFFS-KRWDZBQOSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001161213896 1382344679 /nfs/dbraw/zinc/34/46/79/1382344679.db2.gz NXAYMVISCRAOHJ-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001161240380 1382352171 /nfs/dbraw/zinc/35/21/71/1382352171.db2.gz VEEVWPKMFKOFQR-XLIONFOSSA-N 2 0 343.515 3.226 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391062 1382395627 /nfs/dbraw/zinc/39/56/27/1382395627.db2.gz OHGDXZFQSVPGBV-UYAOXDASSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444324 1382412021 /nfs/dbraw/zinc/41/20/21/1382412021.db2.gz BZVXPXKOPPFVAD-UXHICEINSA-N 2 0 345.531 3.108 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(c2csc3ccccc32)CC1 ZINC001161450700 1382414530 /nfs/dbraw/zinc/41/45/30/1382414530.db2.gz ICSXQXUTPQBZQC-KRWDZBQOSA-N 2 0 345.512 3.064 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001161564068 1382440247 /nfs/dbraw/zinc/44/02/47/1382440247.db2.gz RAIVYJDZJJAAOB-UHFFFAOYSA-N 2 0 330.476 3.179 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001161638457 1382466924 /nfs/dbraw/zinc/46/69/24/1382466924.db2.gz PMYCXAFTQRDWAA-CTWPCTMYSA-N 2 0 337.552 3.029 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704769 1382484847 /nfs/dbraw/zinc/48/48/47/1382484847.db2.gz IGYSNWQQOMHWPT-MOPGFXCFSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705484 1382486079 /nfs/dbraw/zinc/48/60/79/1382486079.db2.gz UJNZRNLXFFQOSL-PMACEKPBSA-N 2 0 349.563 3.435 20 0 EGADRP [NH3+]C1CCN(c2cccc(N[C@@H](c3cncc(F)c3)C3CC3)[nH+]2)CC1 ZINC001161814364 1382516398 /nfs/dbraw/zinc/51/63/98/1382516398.db2.gz DCTNUNVECWLPMO-LJQANCHMSA-N 2 0 341.434 3.106 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001161857531 1382532754 /nfs/dbraw/zinc/53/27/54/1382532754.db2.gz PZXQXPUAYAICCH-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162460773 1382763463 /nfs/dbraw/zinc/76/34/63/1382763463.db2.gz KGHVQYNZKGVNGJ-DZGCQCFKSA-N 2 0 332.492 3.422 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001162617324 1382811175 /nfs/dbraw/zinc/81/11/75/1382811175.db2.gz GPWHUDUHNLVUPX-DLBZAZTESA-N 2 0 342.487 3.260 20 0 EGADRP [NH3+]C1CCN(c2cccc(NCc3cncc4ccccc43)[nH+]2)CC1 ZINC001162749236 1382857789 /nfs/dbraw/zinc/85/77/89/1382857789.db2.gz FRXWHHYWIBAZLW-UHFFFAOYSA-N 2 0 333.439 3.169 20 0 EGADRP CC[C@H](C(=O)N(CC[NH2+]C(C)C)CCc1ccccc1)[NH+](CC)CC ZINC001162928811 1382918940 /nfs/dbraw/zinc/91/89/40/1382918940.db2.gz NQYHKLVIXYNLJE-HXUWFJFHSA-N 2 0 347.547 3.176 20 0 EGADRP CC[C@@H](C)c1nc(Cl)c(C)c(NC(=[NH2+])NCC[NH+](CC)CC)n1 ZINC001163129821 1382972105 /nfs/dbraw/zinc/97/21/05/1382972105.db2.gz QZJGZECKSSLZDI-LLVKDONJSA-N 2 0 340.903 3.230 20 0 EGADRP COc1cc2[nH+]ccc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)c2cc1OC ZINC001163215611 1382994918 /nfs/dbraw/zinc/99/49/18/1382994918.db2.gz OVCAQWYCIUFLTA-UTKZUKDTSA-N 2 0 349.434 3.189 20 0 EGADRP Nc1[nH+]ccn1Cc1ccccc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163218985 1382995846 /nfs/dbraw/zinc/99/58/46/1382995846.db2.gz OSZQNNKBDYJMAA-MOPGFXCFSA-N 2 0 333.439 3.029 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1F ZINC001163289897 1383013508 /nfs/dbraw/zinc/01/35/08/1383013508.db2.gz GNCXJXRCVDBKQY-OXQOHEQNSA-N 2 0 349.494 3.238 20 0 EGADRP C[NH+](C)Cc1ccnc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC001163321919 1383021846 /nfs/dbraw/zinc/02/18/46/1383021846.db2.gz LOOYJFNVJWVJCE-KRWDZBQOSA-N 2 0 328.504 3.376 20 0 EGADRP CC(C)(C)OC(=O)CCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001163413891 1383046823 /nfs/dbraw/zinc/04/68/23/1383046823.db2.gz GQYTYVALPCKTRC-UHFFFAOYSA-N 2 0 347.503 3.001 20 0 EGADRP Nc1[nH]c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2[nH+]1 ZINC001164491174 1383192592 /nfs/dbraw/zinc/19/25/92/1383192592.db2.gz CMHGNIKVTAAQDF-CGTJXYLNSA-N 2 0 347.466 3.468 20 0 EGADRP CC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491240 1383192657 /nfs/dbraw/zinc/19/26/57/1383192657.db2.gz CSDDSWJFDRROIL-LLHWWHOWSA-N 2 0 335.536 3.236 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccccc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491724 1383192674 /nfs/dbraw/zinc/19/26/74/1383192674.db2.gz NBTLKNIZZPROOA-HXUWFJFHSA-N 2 0 343.515 3.080 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164501233 1383193781 /nfs/dbraw/zinc/19/37/81/1383193781.db2.gz WSOMRWCGSOGSOE-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531315 1383196936 /nfs/dbraw/zinc/19/69/36/1383196936.db2.gz CVQWYVZYDHQIFX-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485123 1383301013 /nfs/dbraw/zinc/30/10/13/1383301013.db2.gz MRAYCMKYHOZQGI-HKUYNNGSSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001165728959 1383334170 /nfs/dbraw/zinc/33/41/70/1383334170.db2.gz WQLTWNITTDKZTL-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165735552 1383335032 /nfs/dbraw/zinc/33/50/32/1383335032.db2.gz CPAQADDGAVMQKS-ZWKOTPCHSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001165781017 1383344309 /nfs/dbraw/zinc/34/43/09/1383344309.db2.gz CLCSOJVDKLHMER-INIZCTEOSA-N 2 0 333.520 3.093 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165912876 1383363463 /nfs/dbraw/zinc/36/34/63/1383363463.db2.gz WZAMZNGOSGVZMF-UHFFFAOYSA-N 2 0 340.471 3.099 20 0 EGADRP C[N@H+](CCC(=O)NCCC1(C[NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001166389733 1383417791 /nfs/dbraw/zinc/41/77/91/1383417791.db2.gz GIKSCIJTTZCAEB-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391616 1383418402 /nfs/dbraw/zinc/41/84/02/1383418402.db2.gz WWZMDTPXLFOOCC-GNAXCBTBSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2o1)[NH+](CC)CC ZINC001166425080 1383421190 /nfs/dbraw/zinc/42/11/90/1383421190.db2.gz ODUDZBPLKLTBQM-SFHVURJKSA-N 2 0 345.487 3.149 20 0 EGADRP CC(C)Cc1ccc([C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+](C)C)cc1 ZINC001298898769 1383442995 /nfs/dbraw/zinc/44/29/95/1383442995.db2.gz LVBUWPWJRQPJPP-LJQANCHMSA-N 2 0 347.547 3.382 20 0 EGADRP CN(Cc1ccc(Cl)cc1)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001166676864 1383458415 /nfs/dbraw/zinc/45/84/15/1383458415.db2.gz XBYWECFZDWAKBC-UHFFFAOYSA-N 2 0 330.863 3.299 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687199 1383460874 /nfs/dbraw/zinc/46/08/74/1383460874.db2.gz IMAUOPJWGHSTIA-IHHMQQGQSA-N 2 0 341.515 3.041 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]CC/C=C/c1ccccc1)CC(C)(C)C ZINC001166744244 1383469885 /nfs/dbraw/zinc/46/98/85/1383469885.db2.gz NIDKFMRHSAAKES-MDWZMJQESA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001166750304 1383471329 /nfs/dbraw/zinc/47/13/29/1383471329.db2.gz CASSOAKPWWEEPS-SFHVURJKSA-N 2 0 347.547 3.438 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328782121 1388860323 /nfs/dbraw/zinc/86/03/23/1388860323.db2.gz WYHPOJIKDFGUIQ-FXAWDEMLSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001167044624 1383527077 /nfs/dbraw/zinc/52/70/77/1383527077.db2.gz MMGJWEYCWSVDST-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167224932 1383570329 /nfs/dbraw/zinc/57/03/29/1383570329.db2.gz OAYRLZVZOQPWPE-XFHJGTJQSA-N 2 0 335.536 3.093 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)C1 ZINC001167241075 1383573453 /nfs/dbraw/zinc/57/34/53/1383573453.db2.gz ZBSXWXJSJVBFKE-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001167385819 1383619064 /nfs/dbraw/zinc/61/90/64/1383619064.db2.gz UUWVBOGNTHBRIN-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425761 1383630060 /nfs/dbraw/zinc/63/00/60/1383630060.db2.gz JODDEGIBZNWVFC-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167461043 1383638995 /nfs/dbraw/zinc/63/89/95/1383638995.db2.gz VVRCLGPJYSIXIF-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]C[C@@H](F)CC)CC1 ZINC001167470976 1383643489 /nfs/dbraw/zinc/64/34/89/1383643489.db2.gz MJEOQSZMXWDVJW-KRWDZBQOSA-N 2 0 343.531 3.123 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001167480656 1383646432 /nfs/dbraw/zinc/64/64/32/1383646432.db2.gz PCAPYOIYNZENES-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001167610686 1383688914 /nfs/dbraw/zinc/68/89/14/1383688914.db2.gz WGHZVMPWHAZCII-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001167626654 1383692383 /nfs/dbraw/zinc/69/23/83/1383692383.db2.gz DSFOKFQFDDAZNI-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627213 1383692534 /nfs/dbraw/zinc/69/25/34/1383692534.db2.gz MBMYXLLBKUJDBH-FQEVSTJZSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@H]([NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1)c1ccccc1 ZINC001167639566 1383695675 /nfs/dbraw/zinc/69/56/75/1383695675.db2.gz BXSWUGYLTJTTME-IBGZPJMESA-N 2 0 345.531 3.356 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001301660865 1383725421 /nfs/dbraw/zinc/72/54/21/1383725421.db2.gz HLGAFBJXZCHZKR-ZWKOTPCHSA-N 2 0 349.906 3.077 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001167736654 1383726127 /nfs/dbraw/zinc/72/61/27/1383726127.db2.gz FJURVJVCZDAWSL-CTWPCTMYSA-N 2 0 349.563 3.031 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742739 1383726590 /nfs/dbraw/zinc/72/65/90/1383726590.db2.gz VVNWIYXJGPCWDH-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001167823788 1383749322 /nfs/dbraw/zinc/74/93/22/1383749322.db2.gz ACEGULDDKAOEFP-IAGOWNOFSA-N 2 0 341.540 3.438 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)NC2CCC2)CC1 ZINC001167826256 1383750442 /nfs/dbraw/zinc/75/04/42/1383750442.db2.gz NXEVNDFMJLOWOZ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC001167833645 1383753026 /nfs/dbraw/zinc/75/30/26/1383753026.db2.gz CZILMMJUAXUNIH-LJQANCHMSA-N 2 0 347.547 3.323 20 0 EGADRP CCC(=O)N(CC)C1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167834647 1383753266 /nfs/dbraw/zinc/75/32/66/1383753266.db2.gz LMRDDTJNFCTQKG-KRWDZBQOSA-N 2 0 325.541 3.220 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1ccc(C)cn1)C1CC[NH2+]CC1 ZINC001167835570 1383754091 /nfs/dbraw/zinc/75/40/91/1383754091.db2.gz RHXHZIPTZPFUTG-SFHVURJKSA-N 2 0 332.536 3.459 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001167837906 1383755122 /nfs/dbraw/zinc/75/51/22/1383755122.db2.gz NSBANRKPXKDZSZ-HNNXBMFYSA-N 2 0 327.513 3.096 20 0 EGADRP CC(C)(C)OC(=O)NC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167961096 1383779591 /nfs/dbraw/zinc/77/95/91/1383779591.db2.gz FJKWBLLZBXHBIO-CSRJKQTDSA-N 2 0 349.519 3.037 20 0 EGADRP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)OCc1ccccc1 ZINC001167967932 1383781129 /nfs/dbraw/zinc/78/11/29/1383781129.db2.gz LPDPFMWDLQROLC-IHWFROFDSA-N 2 0 342.483 3.115 20 0 EGADRP CCOc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968173 1383781841 /nfs/dbraw/zinc/78/18/41/1383781841.db2.gz NNKGIQAVBCYHDY-YQQQUEKLSA-N 2 0 344.499 3.459 20 0 EGADRP COC(=O)CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCCC1 ZINC001167973483 1383782281 /nfs/dbraw/zinc/78/22/81/1383782281.db2.gz LSCSACZKNQYVPP-AYHJJNSGSA-N 2 0 334.504 3.247 20 0 EGADRP C[N@@H+]1CC[C@@H](c2ccc(-n3cc(CC[NH3+])c4cc(O)ccc43)cc2)C1 ZINC001167990054 1383788765 /nfs/dbraw/zinc/78/87/65/1383788765.db2.gz LNQXWWBZHHHEOD-MRXNPFEDSA-N 2 0 335.451 3.256 20 0 EGADRP C[C@@H]1CC([NH2+]C[C@@H]2COC(C)(C)O2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023901 1383799278 /nfs/dbraw/zinc/79/92/78/1383799278.db2.gz ZAPYNOTZFJIHKZ-GPMSIDNRSA-N 2 0 332.488 3.169 20 0 EGADRP CC(=O)NC1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168040413 1383803064 /nfs/dbraw/zinc/80/30/64/1383803064.db2.gz MPGBHXDXFJCDBS-IRXDYDNUSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@@H]1CC([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047045 1383803790 /nfs/dbraw/zinc/80/37/90/1383803790.db2.gz QEHWZUGVQGXXSS-UKAVVXHISA-N 3 0 341.543 3.312 20 0 EGADRP C[C@H]1CC([NH+]2CCC(C)(C(N)=O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051313 1383804592 /nfs/dbraw/zinc/80/45/92/1383804592.db2.gz HFDJEXVDXCAVCN-IRXDYDNUSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168053570 1383805374 /nfs/dbraw/zinc/80/53/74/1383805374.db2.gz PEPRNIKMEKYHNU-KOUHRCEDSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@H]1CC(N2CC[NH+]3CCC2CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062226 1383807580 /nfs/dbraw/zinc/80/75/80/1383807580.db2.gz JRKCALSXPFFDOQ-ROUUACIJSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]1C[C@@H](N(C)CC[NH+]2CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064312 1383807902 /nfs/dbraw/zinc/80/79/02/1383807902.db2.gz QBRMUBQVYUVMQP-CEQLMSFQSA-N 2 0 329.532 3.456 20 0 EGADRP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@H](C)C1 ZINC001168091822 1383814901 /nfs/dbraw/zinc/81/49/01/1383814901.db2.gz BPQLIBQUNKULTN-NXWXRZEISA-N 2 0 332.488 3.335 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001168162158 1383829592 /nfs/dbraw/zinc/82/95/92/1383829592.db2.gz DZHVVPOWOCIXFA-RBUKOAKNSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H](Cc1ccc(Cl)cc1)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001168186671 1383838260 /nfs/dbraw/zinc/83/82/60/1383838260.db2.gz CKGNOPCCTQAHJU-KRWDZBQOSA-N 2 0 339.955 3.476 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(N3CCCCC3=O)c2)CC1 ZINC001168305295 1383868196 /nfs/dbraw/zinc/86/81/96/1383868196.db2.gz HOIYOOGEIXBZJU-UHFFFAOYSA-N 2 0 329.488 3.166 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001168321695 1383872328 /nfs/dbraw/zinc/87/23/28/1383872328.db2.gz KLOQGJZYBFPHJS-LADRWXRNSA-N 2 0 347.528 3.050 20 0 EGADRP COc1cc(C[N@H+](C)C2CCC([NH+](C)C)CC2)cc(OC)c1OC ZINC001168326557 1383873170 /nfs/dbraw/zinc/87/31/70/1383873170.db2.gz BCESQBDVIRZCFS-UHFFFAOYSA-N 2 0 336.476 3.017 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001168326680 1383873626 /nfs/dbraw/zinc/87/36/26/1383873626.db2.gz CUDOYRRAWITWLC-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168329515 1383874334 /nfs/dbraw/zinc/87/43/34/1383874334.db2.gz WHTAJFXDLIGFJK-VIQWUECVSA-N 2 0 336.520 3.305 20 0 EGADRP CC(C)(C)C(=O)N1CCC(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168359528 1383883046 /nfs/dbraw/zinc/88/30/46/1383883046.db2.gz BJHDFEKYTRJNRZ-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3cc(F)ccc3C2)cc1 ZINC001168402286 1383897412 /nfs/dbraw/zinc/89/74/12/1383897412.db2.gz YQJZKBOWNGHKOJ-FQEVSTJZSA-N 2 0 342.458 3.413 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]CC[C@H]3CCC[N@H+](C)C3)CCO2)cc1 ZINC001168591183 1383943705 /nfs/dbraw/zinc/94/37/05/1383943705.db2.gz UDLUZZYTWQOEJP-KPFFTGBYSA-N 2 0 332.488 3.237 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC)cc1 ZINC001168653526 1383959558 /nfs/dbraw/zinc/95/95/58/1383959558.db2.gz VXAFMHXGLRSMEL-FQEVSTJZSA-N 2 0 347.547 3.211 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC001307421526 1383986965 /nfs/dbraw/zinc/98/69/65/1383986965.db2.gz UDRXJWMOGANAEC-RBUKOAKNSA-N 2 0 338.536 3.410 20 0 EGADRP COC(=O)C1(C)CCC([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001168757808 1383992540 /nfs/dbraw/zinc/99/25/40/1383992540.db2.gz AQSWLQLONGJBND-UHFFFAOYSA-N 2 0 332.488 3.002 20 0 EGADRP [NH3+][C@@H]1CCc2nn(-c3ccc4c(c3)C[N@@H+](Cc3ccccc3)C4)cc2C1 ZINC001168819224 1384017245 /nfs/dbraw/zinc/01/72/45/1384017245.db2.gz XABNTLHWRXJSJV-HXUWFJFHSA-N 2 0 344.462 3.204 20 0 EGADRP CO[C@@H](CC(C)C)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001307759067 1384027288 /nfs/dbraw/zinc/02/72/88/1384027288.db2.gz WHFFDBBIPSQRSS-KRWDZBQOSA-N 2 0 327.472 3.418 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001169089816 1384105406 /nfs/dbraw/zinc/10/54/06/1384105406.db2.gz GFBWTLRKXJCEOC-REPLKXPHSA-N 2 0 331.479 3.005 20 0 EGADRP CC(C)C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001169108694 1384108211 /nfs/dbraw/zinc/10/82/11/1384108211.db2.gz VPYBDEAPGDXIDB-NXOAAHMSSA-N 2 0 339.524 3.141 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001169109461 1384108926 /nfs/dbraw/zinc/10/89/26/1384108926.db2.gz IUDJJRGSFUTOAC-CADBVGFASA-N 2 0 333.907 3.129 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cc(Br)cs1)C2 ZINC001169124357 1384110512 /nfs/dbraw/zinc/11/05/12/1384110512.db2.gz QFDQBMKLKUYWOH-XYYAHUGASA-N 2 0 329.307 3.268 20 0 EGADRP COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147018 1384115023 /nfs/dbraw/zinc/11/50/23/1384115023.db2.gz RFTBNWCSMDXUTH-GDAAHCPNSA-N 2 0 332.488 3.157 20 0 EGADRP C[NH+](C)CCCOc1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cn1 ZINC001169151413 1384115623 /nfs/dbraw/zinc/11/56/23/1384115623.db2.gz JHYCLDKTUPTZBY-XLIONFOSSA-N 2 0 348.535 3.368 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160491 1384117465 /nfs/dbraw/zinc/11/74/65/1384117465.db2.gz GQVFRIFIDIUVAJ-YCXYWVQESA-N 2 0 327.516 3.206 20 0 EGADRP COC(=O)c1cccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169162026 1384117634 /nfs/dbraw/zinc/11/76/34/1384117634.db2.gz RRNDZLUFVLLOAI-FCGDIQPGSA-N 2 0 328.456 3.235 20 0 EGADRP Cc1ccc2ncc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2c1 ZINC001308368618 1384122463 /nfs/dbraw/zinc/12/24/63/1384122463.db2.gz YRACMMCQHOAQGJ-IAGOWNOFSA-N 2 0 326.488 3.385 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001169233825 1384125840 /nfs/dbraw/zinc/12/58/40/1384125840.db2.gz VQRVEUZUHKVUIC-UHFFFAOYSA-N 2 0 330.394 3.244 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001169490653 1384154279 /nfs/dbraw/zinc/15/42/79/1384154279.db2.gz UJLQTPQDIIAVRP-KRWDZBQOSA-N 2 0 337.552 3.362 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc(CC[NH3+])c3ncccc32)nc1 ZINC001169704668 1384175372 /nfs/dbraw/zinc/17/53/72/1384175372.db2.gz FCBZPGHMOHNNFJ-INIZCTEOSA-N 2 0 349.482 3.296 20 0 EGADRP CCCC[NH+]1CCC([N@H+](C)[C@H]2CCCN(C(=O)OCC)CC2)CC1 ZINC001169712903 1384176582 /nfs/dbraw/zinc/17/65/82/1384176582.db2.gz HEFMDGHYXTZYOB-KRWDZBQOSA-N 2 0 339.524 3.194 20 0 EGADRP C[C@@]12CC3([NH3+])CC([NH2+][C@@H]4CCCC5(C4)OCCO5)(C1)C[C@](C)(C3)C2 ZINC001169922393 1384198914 /nfs/dbraw/zinc/19/89/14/1384198914.db2.gz DGFXQAGJKQQBFP-JKMZYOBQSA-N 2 0 334.504 3.092 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001170092462 1384235139 /nfs/dbraw/zinc/23/51/39/1384235139.db2.gz OJRBYSVGRXXUPT-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)C1 ZINC001170145028 1384247800 /nfs/dbraw/zinc/24/78/00/1384247800.db2.gz RMCJOPTZVQROQW-QUCCMNQESA-N 2 0 343.515 3.185 20 0 EGADRP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)C1 ZINC001170145899 1384248633 /nfs/dbraw/zinc/24/86/33/1384248633.db2.gz WUZRDQUUGFMOMR-UYAOXDASSA-N 2 0 343.515 3.185 20 0 EGADRP C[C@@H](Cc1ccccc1Cl)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001170257327 1384276873 /nfs/dbraw/zinc/27/68/73/1384276873.db2.gz YRZFBDGHYCXRFJ-VIFPVBQESA-N 2 0 330.910 3.155 20 0 EGADRP CCCCCC[C@H](CC)[NH2+]CCCOCCOCCOCCC[NH3+] ZINC001170577978 1384345911 /nfs/dbraw/zinc/34/59/11/1384345911.db2.gz DLCSOSAUFHXLLT-IBGZPJMESA-N 2 0 346.556 3.114 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001170741351 1384376315 /nfs/dbraw/zinc/37/63/15/1384376315.db2.gz DWVMHGIDNPZZKK-AZUAARDMSA-N 2 0 345.531 3.324 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001170752046 1384378974 /nfs/dbraw/zinc/37/89/74/1384378974.db2.gz WTIYSRXNSIJBHV-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2C[C@@H]4[C@H](C2)C4(C)C)CC3)cn1 ZINC001170752855 1384379787 /nfs/dbraw/zinc/37/97/87/1384379787.db2.gz KWSVMFGZGVHZDF-REPLKXPHSA-N 2 0 342.531 3.285 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769720 1384382907 /nfs/dbraw/zinc/38/29/07/1384382907.db2.gz NJSHBWKZCUBVOJ-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170785731 1384385389 /nfs/dbraw/zinc/38/53/89/1384385389.db2.gz WAEIEUPHINXRIM-IHHMQQGQSA-N 2 0 337.552 3.483 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170795294 1384387006 /nfs/dbraw/zinc/38/70/06/1384387006.db2.gz JWKNKBSRUORANQ-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170864070 1384400902 /nfs/dbraw/zinc/40/09/02/1384400902.db2.gz ZYSBWXBULRVXDR-ZHALLVOQSA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863388 1384400924 /nfs/dbraw/zinc/40/09/24/1384400924.db2.gz WHQNXNPKFBWOMO-UUAOQSGWSA-N 2 0 337.552 3.338 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001170877604 1384403481 /nfs/dbraw/zinc/40/34/81/1384403481.db2.gz ZVPPZDXFPRVGBG-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-c2cccc(OC(F)(F)F)c2)nc1 ZINC001170903692 1384408533 /nfs/dbraw/zinc/40/85/33/1384408533.db2.gz KEUOAJAAPZZGSF-OAHLLOKOSA-N 2 0 340.349 3.083 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001313445464 1384424255 /nfs/dbraw/zinc/42/42/55/1384424255.db2.gz WDCHMJAPVFJWNN-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000600 1384427705 /nfs/dbraw/zinc/42/77/05/1384427705.db2.gz KRDRQJPCPUXHFS-LJQANCHMSA-N 2 0 347.522 3.033 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001171119905 1384449126 /nfs/dbraw/zinc/44/91/26/1384449126.db2.gz KOVDKPQKFXILSQ-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001316603561 1384471696 /nfs/dbraw/zinc/47/16/96/1384471696.db2.gz QEFWDJGOIFDPCQ-PXNSSMCTSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccc(NCc2ccccc2N2CC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC001171289571 1384486698 /nfs/dbraw/zinc/48/66/98/1384486698.db2.gz YHSLSXHOXHZFRT-UHFFFAOYSA-N 2 0 338.499 3.078 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330819 1384496095 /nfs/dbraw/zinc/49/60/95/1384496095.db2.gz VIOFDZFBLFRSQU-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP [NH3+]Cc1nccnc1Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001171448535 1384526722 /nfs/dbraw/zinc/52/67/22/1384526722.db2.gz ABUKZLJTLRLNBE-UHFFFAOYSA-N 2 0 331.423 3.195 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509082 1384546047 /nfs/dbraw/zinc/54/60/47/1384546047.db2.gz LXYGKIRFYSGVES-HMECNJMJSA-N 2 0 349.563 3.483 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171547533 1384559419 /nfs/dbraw/zinc/55/94/19/1384559419.db2.gz UVVJCXZTJNJHBL-FUHWJXTLSA-N 2 0 325.541 3.172 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171547532 1384559622 /nfs/dbraw/zinc/55/96/22/1384559622.db2.gz UVVJCXZTJNJHBL-AEFFLSMTSA-N 2 0 325.541 3.172 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586585 1384572470 /nfs/dbraw/zinc/57/24/70/1384572470.db2.gz PULUDGSMAPMQQB-MRXNPFEDSA-N 2 0 327.557 3.418 20 0 EGADRP CC(C)[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)NC(C)(C)C ZINC001171627151 1384585011 /nfs/dbraw/zinc/58/50/11/1384585011.db2.gz MCQJKFMUPWXKAR-HNNXBMFYSA-N 2 0 325.541 3.167 20 0 EGADRP C[NH+]1C(C)(C)CC(N(c2ncccc2F)C2CC[NH2+]CC2)CC1(C)C ZINC001171641156 1384589605 /nfs/dbraw/zinc/58/96/05/1384589605.db2.gz NEIFPCKWIFWQLM-UHFFFAOYSA-N 2 0 348.510 3.431 20 0 EGADRP CCc1noc([C@H]2CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171643924 1384590495 /nfs/dbraw/zinc/59/04/95/1384590495.db2.gz XYMQBNFGPPWIOI-AWEZNQCLSA-N 2 0 334.508 3.463 20 0 EGADRP C[NH+]1C(C)(C)CC(n2nc(C(F)(F)F)c3c2CC[NH2+]C3)CC1(C)C ZINC001171643073 1384590560 /nfs/dbraw/zinc/59/05/60/1384590560.db2.gz RNWNXQSRLLMNSI-UHFFFAOYSA-N 2 0 344.425 3.372 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1(C)C ZINC001171644891 1384591111 /nfs/dbraw/zinc/59/11/11/1384591111.db2.gz SQQIOLDFTFFUEX-DLBZAZTESA-N 2 0 325.516 3.146 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001171731888 1384618564 /nfs/dbraw/zinc/61/85/64/1384618564.db2.gz PMNFPHSRSYQQIU-ROUUACIJSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CN1Cc1ccccc1 ZINC001171739739 1384620861 /nfs/dbraw/zinc/62/08/61/1384620861.db2.gz GARXYAASIQKNIJ-HLAWJBBLSA-N 2 0 329.532 3.490 20 0 EGADRP C[C@H]1C[C@@H](N2CC[NH+](CC3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171763205 1384628250 /nfs/dbraw/zinc/62/82/50/1384628250.db2.gz OTKIATNODJLMBE-SIKLNZKXSA-N 2 0 341.543 3.457 20 0 EGADRP CC(C)N([C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171766738 1384630548 /nfs/dbraw/zinc/63/05/48/1384630548.db2.gz HCBIOLSCOWQVEH-NQIIRXRSSA-N 2 0 329.532 3.454 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788587 1384637715 /nfs/dbraw/zinc/63/77/15/1384637715.db2.gz SAKISWHZPBWVNS-GUDVDZBRSA-N 2 0 339.458 3.460 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171924395 1384684107 /nfs/dbraw/zinc/68/41/07/1384684107.db2.gz ODNMELWNPOZKEK-MJGOQNOKSA-N 2 0 335.536 3.092 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001171944167 1384691680 /nfs/dbraw/zinc/69/16/80/1384691680.db2.gz KOMRWDLSONMLGJ-UHFFFAOYSA-N 2 0 345.487 3.152 20 0 EGADRP CC1(C)C[C@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC001171981692 1384701693 /nfs/dbraw/zinc/70/16/93/1384701693.db2.gz CKCCEFOHSKJCHD-RTBURBONSA-N 2 0 338.499 3.315 20 0 EGADRP CN(C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977793 1384702282 /nfs/dbraw/zinc/70/22/82/1384702282.db2.gz UMTXGQJRLHIRHX-FQEVSTJZSA-N 2 0 329.532 3.456 20 0 EGADRP CC1(C)C[C@H](N2CC([NH+]3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171984603 1384703383 /nfs/dbraw/zinc/70/33/83/1384703383.db2.gz NQZHAKABAJPSQN-LJQANCHMSA-N 2 0 327.516 3.210 20 0 EGADRP Cc1c(CC[NH3+])c(=O)[nH]n1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984228 1384704058 /nfs/dbraw/zinc/70/40/58/1384704058.db2.gz TZDYKUXAXHHAHK-QGZVFWFLSA-N 2 0 342.487 3.014 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987318 1384705841 /nfs/dbraw/zinc/70/58/41/1384705841.db2.gz UFQLTCSOTJXBND-UNMCSNQZSA-N 2 0 341.543 3.457 20 0 EGADRP COC(=O)[C@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171989239 1384706788 /nfs/dbraw/zinc/70/67/88/1384706788.db2.gz BDSCLPWHDGWQIM-WDSOQIARSA-N 2 0 344.499 3.171 20 0 EGADRP C[C@@]1(O)C[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172066357 1384716502 /nfs/dbraw/zinc/71/65/02/1384716502.db2.gz WDDIBCCMWSWDPU-CMMDMPAISA-N 2 0 328.500 3.323 20 0 EGADRP COCCOCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065422 1384716684 /nfs/dbraw/zinc/71/66/84/1384716684.db2.gz LMVGJAGDIPEYNN-WKCHPHFGSA-N 2 0 346.515 3.215 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CCCC24COC4)C3)cc1 ZINC001172075378 1384720482 /nfs/dbraw/zinc/72/04/82/1384720482.db2.gz QHJBCWRAOCUEMJ-PMOLBWCYSA-N 2 0 326.484 3.437 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCc2ncccn2)C3)cc1 ZINC001172073447 1384720695 /nfs/dbraw/zinc/72/06/95/1384720695.db2.gz RCVUSAQSXVUHRA-OWZKRDHZSA-N 2 0 336.483 3.194 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001172098977 1384726145 /nfs/dbraw/zinc/72/61/45/1384726145.db2.gz HPMOJTMCEQUBMX-QDMKHBRRSA-N 2 0 343.393 3.128 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001172103580 1384727044 /nfs/dbraw/zinc/72/70/44/1384727044.db2.gz WAEQVSHSTIQMBX-ACDBMABISA-N 2 0 345.506 3.395 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112549 1384731546 /nfs/dbraw/zinc/73/15/46/1384731546.db2.gz XLIFKXJWHBDINA-WARAAXDBSA-N 2 0 342.531 3.169 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125317 1384735429 /nfs/dbraw/zinc/73/54/29/1384735429.db2.gz PJPVWSITJCVKAD-PMOLBWCYSA-N 2 0 329.488 3.078 20 0 EGADRP [NH3+]C1(Cc2ccc(Cl)cc2)CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235515 1384753677 /nfs/dbraw/zinc/75/36/77/1384753677.db2.gz HNFTXOZHNVRFPI-AYHJJNSGSA-N 2 0 332.875 3.162 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001172792955 1384853166 /nfs/dbraw/zinc/85/31/66/1384853166.db2.gz VMBHZUSMEXKRPL-CEXWTWQISA-N 2 0 336.520 3.449 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001172797130 1384854643 /nfs/dbraw/zinc/85/46/43/1384854643.db2.gz GMOMELLYFLTCIR-QXAKKESOSA-N 2 0 332.488 3.205 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172802253 1384855398 /nfs/dbraw/zinc/85/53/98/1384855398.db2.gz OKQGIDBTWJWDNS-AYHJJNSGSA-N 2 0 349.519 3.155 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(N3CC[NH+](C)CC3)c1)CC2 ZINC001172826957 1384860041 /nfs/dbraw/zinc/86/00/41/1384860041.db2.gz YHRSXPZTDUSSAS-QFIPXVFZSA-N 2 0 349.522 3.394 20 0 EGADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001172847634 1384864409 /nfs/dbraw/zinc/86/44/09/1384864409.db2.gz MNQHQKSVTGWZKR-KBPBESRZSA-N 2 0 340.870 3.253 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172856218 1384866086 /nfs/dbraw/zinc/86/60/86/1384866086.db2.gz FRPPJMHWSADCAG-RCBQFDQVSA-N 2 0 340.870 3.381 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CCC[C@H](OC)C2)CC1 ZINC001172955380 1384889452 /nfs/dbraw/zinc/88/94/52/1384889452.db2.gz WASRECQAQFJWMS-PMACEKPBSA-N 2 0 339.568 3.074 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172962364 1384891076 /nfs/dbraw/zinc/89/10/76/1384891076.db2.gz FIPMHNNNPOSQFG-BBWFWOEESA-N 2 0 341.540 3.340 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173065606 1384905798 /nfs/dbraw/zinc/90/57/98/1384905798.db2.gz XARQYUMYDDBSEO-VQHPVUNQSA-N 2 0 339.524 3.237 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(OCC(C)C)ncn2)CC1 ZINC001173105708 1384915421 /nfs/dbraw/zinc/91/54/21/1384915421.db2.gz BISJWKPFGNFEMK-UHFFFAOYSA-N 2 0 334.508 3.254 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCC(=O)OCc2ccccc2)CC1 ZINC001173104612 1384915502 /nfs/dbraw/zinc/91/55/02/1384915502.db2.gz SLKSGTIQYRUJKW-UHFFFAOYSA-N 2 0 332.488 3.363 20 0 EGADRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2cnc3ccc(F)cn23)CC1 ZINC001173109254 1384916290 /nfs/dbraw/zinc/91/62/90/1384916290.db2.gz ANYVXZVPBISGKM-UHFFFAOYSA-N 2 0 331.439 3.041 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)C(C)C)CC2)CC1 ZINC001173106710 1384916297 /nfs/dbraw/zinc/91/62/97/1384916297.db2.gz QOJFLPIIJPNICO-BIZGZAPZSA-N 2 0 337.552 3.312 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC001173107550 1384916311 /nfs/dbraw/zinc/91/63/11/1384916311.db2.gz WTRIMBWGPFXSBF-DQVLVPHSSA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)c2cccc(COC)c2)CC1 ZINC001173111182 1384917164 /nfs/dbraw/zinc/91/71/64/1384917164.db2.gz YOFOXEPQMYXDGO-SOAGJPPSSA-N 2 0 334.504 3.109 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(c3cccc(O)c3)CC2)CC1 ZINC001173113503 1384917845 /nfs/dbraw/zinc/91/78/45/1384917845.db2.gz RIPDOSHDBIJMEU-UHFFFAOYSA-N 2 0 331.504 3.167 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)C1 ZINC001173630597 1384992184 /nfs/dbraw/zinc/99/21/84/1384992184.db2.gz AANDFDNPTKEERN-FUHWJXTLSA-N 2 0 330.472 3.058 20 0 EGADRP Cc1cc(C[NH2+]C2CCC(NC(=O)C[N@@H+](C)C3CCC3)CC2)cs1 ZINC001317216805 1384996949 /nfs/dbraw/zinc/99/69/49/1384996949.db2.gz HPHXMCQVFHBZEB-UHFFFAOYSA-N 2 0 349.544 3.058 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001317222651 1385003207 /nfs/dbraw/zinc/00/32/07/1385003207.db2.gz GVEXNXXAEWGFOI-GTPINHCMSA-N 2 0 349.494 3.246 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173743731 1385012711 /nfs/dbraw/zinc/01/27/11/1385012711.db2.gz MPKXUWSQJHPJMB-NXWXRZEISA-N 2 0 346.523 3.061 20 0 EGADRP CC1(C)CCC(C[NH2+][C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001317310490 1385075113 /nfs/dbraw/zinc/07/51/13/1385075113.db2.gz QCBQHOMZUZOYIH-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001317355062 1385102047 /nfs/dbraw/zinc/10/20/47/1385102047.db2.gz KUTAVYHYKRAGAH-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](C)[C@H](CC)c1ccc(Cl)cc1)[NH+](C)C ZINC001317449411 1385149936 /nfs/dbraw/zinc/14/99/36/1385149936.db2.gz PZIJFIPCEMLDDK-IAGOWNOFSA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C)C1 ZINC001174882817 1385165004 /nfs/dbraw/zinc/16/50/04/1385165004.db2.gz XOPJIEBZRVMDCR-MOPGFXCFSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H](CCCC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CCC[NH+](C)C ZINC001174947428 1385172594 /nfs/dbraw/zinc/17/25/94/1385172594.db2.gz AWMYBIVFVVSSRV-CVEARBPZSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCC[NH+](C)C ZINC001174947454 1385172771 /nfs/dbraw/zinc/17/27/71/1385172771.db2.gz BFMKETQALBIKCC-GOSISDBHSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949452 1385173366 /nfs/dbraw/zinc/17/33/66/1385173366.db2.gz RGKDCBLUEQMVBG-QGZVFWFLSA-N 2 0 335.536 3.093 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949796 1385173601 /nfs/dbraw/zinc/17/36/01/1385173601.db2.gz SXHCAVNIZXPFHR-LKGOPFMKSA-N 2 0 337.552 3.339 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174950693 1385173974 /nfs/dbraw/zinc/17/39/74/1385173974.db2.gz YGTFWDSPGLHYKP-ROUUACIJSA-N 2 0 327.557 3.275 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001175042079 1385185777 /nfs/dbraw/zinc/18/57/77/1385185777.db2.gz RWWJXTDMCQLIHF-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001175042078 1385185785 /nfs/dbraw/zinc/18/57/85/1385185785.db2.gz RWWJXTDMCQLIHF-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP CCCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001175048956 1385186208 /nfs/dbraw/zinc/18/62/08/1385186208.db2.gz MTWRGIFNAJEFIL-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1sccc1Cl)NC(=O)CC[NH+](C)C ZINC001175049360 1385186394 /nfs/dbraw/zinc/18/63/94/1385186394.db2.gz VBYJSSSLXCJGNB-ZDUSSCGKSA-N 2 0 345.940 3.118 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CC[NH+](C)C ZINC001175049866 1385186531 /nfs/dbraw/zinc/18/65/31/1385186531.db2.gz YNRCUPKUYXXTQH-LXPRWKDFSA-N 2 0 325.541 3.029 20 0 EGADRP CCOc1cc(F)c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1F ZINC001175053582 1385186883 /nfs/dbraw/zinc/18/68/83/1385186883.db2.gz FTYIREZXNAPQHV-UHFFFAOYSA-N 2 0 348.397 3.254 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256912 1385231030 /nfs/dbraw/zinc/23/10/30/1385231030.db2.gz QLKOOQUYCBAJEM-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001175262989 1385233455 /nfs/dbraw/zinc/23/34/55/1385233455.db2.gz MNPHVNTUTILHCN-RBUKOAKNSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262572 1385233497 /nfs/dbraw/zinc/23/34/97/1385233497.db2.gz HQYCDLICEIWEDN-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273984 1385238073 /nfs/dbraw/zinc/23/80/73/1385238073.db2.gz ZDZJVCVLFBDJTN-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H](O)Cc2ccccc2)CC1 ZINC001175352700 1385263500 /nfs/dbraw/zinc/26/35/00/1385263500.db2.gz QQLMDZGZVNOOJJ-SFTDATJTSA-N 2 0 330.516 3.176 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)C(C)C ZINC001175747871 1385394829 /nfs/dbraw/zinc/39/48/29/1385394829.db2.gz VJAWENSWUBNVJJ-QZTJIDSGSA-N 2 0 327.557 3.273 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001175785900 1385405233 /nfs/dbraw/zinc/40/52/33/1385405233.db2.gz GHAFXWGYHZVDIM-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175871910 1385426168 /nfs/dbraw/zinc/42/61/68/1385426168.db2.gz DRROBPNFCFGRFP-LJQANCHMSA-N 2 0 345.531 3.183 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967595 1385447613 /nfs/dbraw/zinc/44/76/13/1385447613.db2.gz MACHTDLUVWCMEE-WMZOPIPTSA-N 2 0 343.531 3.120 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176024826 1385464357 /nfs/dbraw/zinc/46/43/57/1385464357.db2.gz SINSEXUJXHMJNZ-JLAWEPINSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176166144 1385500679 /nfs/dbraw/zinc/50/06/79/1385500679.db2.gz QCDGAJLVEUTYSI-RBUKOAKNSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CCCC[NH+](C)C ZINC001176231239 1385521836 /nfs/dbraw/zinc/52/18/36/1385521836.db2.gz RBIXBCAHGVTDFS-HNNXBMFYSA-N 2 0 347.494 3.028 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176256321 1385529511 /nfs/dbraw/zinc/52/95/11/1385529511.db2.gz BBJPAGFJVABSLJ-IBGZPJMESA-N 2 0 347.547 3.492 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC(CC)CC ZINC001176269748 1385533648 /nfs/dbraw/zinc/53/36/48/1385533648.db2.gz XGADZNICJKUMLP-QGZVFWFLSA-N 2 0 327.557 3.419 20 0 EGADRP COCC[C@H](c1ccccc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176280333 1385537846 /nfs/dbraw/zinc/53/78/46/1385537846.db2.gz AGYQLFXIYMMRKP-FXAWDEMLSA-N 2 0 325.456 3.370 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317945083 1385581134 /nfs/dbraw/zinc/58/11/34/1385581134.db2.gz WOCKXFZPJOBODU-QRVBRYPASA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001318046393 1385616787 /nfs/dbraw/zinc/61/67/87/1385616787.db2.gz AVBRQQUFCDKRNY-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[NH+]1CCCC1 ZINC001176582900 1385631577 /nfs/dbraw/zinc/63/15/77/1385631577.db2.gz JXQGSSXHJYEHRF-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629546 1385643103 /nfs/dbraw/zinc/64/31/03/1385643103.db2.gz ZAWBVEWUNYITGB-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CCC[NH+]1CCCC1 ZINC001176728526 1385674339 /nfs/dbraw/zinc/67/43/39/1385674339.db2.gz LHWJCVRKGXMVOL-LJQANCHMSA-N 2 0 345.531 3.327 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728619 1385674379 /nfs/dbraw/zinc/67/43/79/1385674379.db2.gz MRHXLGSXUJJOJW-PXPVJAHISA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176753612 1385684005 /nfs/dbraw/zinc/68/40/05/1385684005.db2.gz IXJAYVYMSPQQCI-ROUUACIJSA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753658 1385684387 /nfs/dbraw/zinc/68/43/87/1385684387.db2.gz JPEFAHBZMIHJJI-MOPGFXCFSA-N 2 0 337.552 3.338 20 0 EGADRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001318537585 1385742409 /nfs/dbraw/zinc/74/24/09/1385742409.db2.gz LWSRTGOXRLCAMK-LPHOPBHVSA-N 2 0 345.487 3.003 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001176934172 1385747909 /nfs/dbraw/zinc/74/79/09/1385747909.db2.gz QRGFBYKBGVFEJK-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001176948113 1385751799 /nfs/dbraw/zinc/75/17/99/1385751799.db2.gz GPCPCYWVOCMKRY-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001176985994 1385764279 /nfs/dbraw/zinc/76/42/79/1385764279.db2.gz AQBHDMOXTVMVGY-FQEVSTJZSA-N 2 0 345.531 3.082 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001176992072 1385765296 /nfs/dbraw/zinc/76/52/96/1385765296.db2.gz IKPVQTRAQNMBEN-ICSRJNTNSA-N 2 0 345.531 3.335 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001176992692 1385766657 /nfs/dbraw/zinc/76/66/57/1385766657.db2.gz XUFCPGATRBCMCM-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001318596689 1385782831 /nfs/dbraw/zinc/78/28/31/1385782831.db2.gz WDYDFGFACBYVCO-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177267635 1385890832 /nfs/dbraw/zinc/89/08/32/1385890832.db2.gz UQIVSIQOWASGCN-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001318959341 1385898073 /nfs/dbraw/zinc/89/80/73/1385898073.db2.gz ONYATNPJLIGTOE-VJANTYMQSA-N 2 0 337.552 3.170 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC001318979263 1385906929 /nfs/dbraw/zinc/90/69/29/1385906929.db2.gz OTPHDAFDELHTJI-WGSAOQKQSA-N 2 0 349.494 3.075 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001177415794 1385948869 /nfs/dbraw/zinc/94/88/69/1385948869.db2.gz LQSWGFDIUFXERI-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001319080864 1385954945 /nfs/dbraw/zinc/95/49/45/1385954945.db2.gz PWSJQIVCZRYNPU-AABGKKOBSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+](CC)CC ZINC001177446188 1385959355 /nfs/dbraw/zinc/95/93/55/1385959355.db2.gz XCQMHKUWAGXMPZ-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)CC1 ZINC001319290250 1386046349 /nfs/dbraw/zinc/04/63/49/1386046349.db2.gz OMFNUMYMVBLDAN-JOCHJYFZSA-N 2 0 335.495 3.211 20 0 EGADRP CC(C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001319372592 1386087045 /nfs/dbraw/zinc/08/70/45/1386087045.db2.gz NJQFJCQPYRKAHZ-GOSISDBHSA-N 2 0 335.536 3.211 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001177948069 1386092389 /nfs/dbraw/zinc/09/23/89/1386092389.db2.gz FBFBSFHRSSMFLK-MRXNPFEDSA-N 2 0 329.488 3.400 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178634069 1386265197 /nfs/dbraw/zinc/26/51/97/1386265197.db2.gz NHTMXYHKKWQKAU-FQEVSTJZSA-N 2 0 345.531 3.327 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698641 1386281676 /nfs/dbraw/zinc/28/16/76/1386281676.db2.gz PMSXOPFWMQSWCE-GHOSXJJBSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319763224 1386284812 /nfs/dbraw/zinc/28/48/12/1386284812.db2.gz MMSJEBRYFFHGBD-HTAPYJJXSA-N 2 0 335.495 3.462 20 0 EGADRP CCc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001178815885 1386315598 /nfs/dbraw/zinc/31/55/98/1386315598.db2.gz NCIBWLRPNCHYAT-HXUWFJFHSA-N 2 0 347.547 3.355 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178833070 1386322522 /nfs/dbraw/zinc/32/25/22/1386322522.db2.gz OUVHYWYIHQHQMA-RTBURBONSA-N 2 0 339.568 3.419 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC001319904472 1386379207 /nfs/dbraw/zinc/37/92/07/1386379207.db2.gz GOFAUTAIZQBDIK-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179079355 1386394199 /nfs/dbraw/zinc/39/41/99/1386394199.db2.gz IANHHDBCUAHHHV-YJBOKZPZSA-N 2 0 328.460 3.107 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C)c1ccccc1 ZINC001319943032 1386405731 /nfs/dbraw/zinc/40/57/31/1386405731.db2.gz HPNXGLYTLVYMBG-UXHICEINSA-N 2 0 345.531 3.210 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001320007827 1386447859 /nfs/dbraw/zinc/44/78/59/1386447859.db2.gz XKPSXGHNZSLHJQ-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)C)C1 ZINC001179358089 1386462410 /nfs/dbraw/zinc/46/24/10/1386462410.db2.gz UVNAPJAZFNVZNM-LJQANCHMSA-N 2 0 339.568 3.421 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179404089 1386477414 /nfs/dbraw/zinc/47/74/14/1386477414.db2.gz ZYHPDZMCNTVQNU-GOSISDBHSA-N 2 0 327.557 3.277 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCC2=CCCCC2)CC1 ZINC001179464556 1386488681 /nfs/dbraw/zinc/48/86/81/1386488681.db2.gz XULVYTAMJVZGNX-UHFFFAOYSA-N 2 0 349.563 3.485 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C)[NH+](CC)CC ZINC001179517288 1386504019 /nfs/dbraw/zinc/50/40/19/1386504019.db2.gz OUNPOCZPWVGTEI-RYQLBKOJSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580875 1386522738 /nfs/dbraw/zinc/52/27/38/1386522738.db2.gz UHKOTRDBYWYGRO-OALUTQOASA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179585495 1386524317 /nfs/dbraw/zinc/52/43/17/1386524317.db2.gz JEFVUJCFCZRHAS-SFHVURJKSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179591650 1386526254 /nfs/dbraw/zinc/52/62/54/1386526254.db2.gz ZRBNNAKTDGTIAH-PKOBYXMFSA-N 2 0 337.552 3.031 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001179592993 1386526358 /nfs/dbraw/zinc/52/63/58/1386526358.db2.gz TYANNTRVHDRXQO-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCCCCC[NH2+]Cc2ccccc2)C1 ZINC001179593010 1386527016 /nfs/dbraw/zinc/52/70/16/1386527016.db2.gz USNPSQXVFLKMDK-UHFFFAOYSA-N 2 0 345.531 3.185 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC001179841253 1386603863 /nfs/dbraw/zinc/60/38/63/1386603863.db2.gz UZOAWPGOJWDMAF-LPHOPBHVSA-N 2 0 338.455 3.031 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCCCCC[NH2+]CC1CCC1)C(C)C ZINC001179843175 1386605157 /nfs/dbraw/zinc/60/51/57/1386605157.db2.gz ZAFAVKJTDOLYEE-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP CC1CC[NH+](CC(=O)NCCCCCC[NH2+]Cc2ccccc2)CC1 ZINC001179892227 1386620242 /nfs/dbraw/zinc/62/02/42/1386620242.db2.gz YVORYYRARWEAGX-UHFFFAOYSA-N 2 0 345.531 3.185 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH2+]CC2CCC2)[C@@H]1C ZINC001179908305 1386625100 /nfs/dbraw/zinc/62/51/00/1386625100.db2.gz TVNICOYYHGYSST-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968366 1386652467 /nfs/dbraw/zinc/65/24/67/1386652467.db2.gz RQORKKKXXNVSJT-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001320571317 1386654341 /nfs/dbraw/zinc/65/43/41/1386654341.db2.gz WDCAKXWFSIJSOM-HOTGVXAUSA-N 2 0 349.494 3.103 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001179978630 1386656749 /nfs/dbraw/zinc/65/67/49/1386656749.db2.gz FKFZTUYCVMELTP-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001179988920 1386659528 /nfs/dbraw/zinc/65/95/28/1386659528.db2.gz PTXSBJVDYJFXKO-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001180040114 1386677846 /nfs/dbraw/zinc/67/78/46/1386677846.db2.gz WGFVOWMBXZIEOW-OAQYLSRUSA-N 2 0 347.547 3.386 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001180060626 1386683491 /nfs/dbraw/zinc/68/34/91/1386683491.db2.gz JWQTXYCDJBENNX-HXUWFJFHSA-N 2 0 345.531 3.103 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCC2CCCC2)C1 ZINC001180065350 1386685375 /nfs/dbraw/zinc/68/53/75/1386685375.db2.gz OJNGFFVMFIOZTA-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068199 1386686033 /nfs/dbraw/zinc/68/60/33/1386686033.db2.gz BYUHZACZEZBKBS-SNAWJCMRSA-N 2 0 335.536 3.095 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC001180077572 1386690069 /nfs/dbraw/zinc/69/00/69/1386690069.db2.gz QBNITJNAHJCPRF-UHFFFAOYSA-N 2 0 346.515 3.192 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001180278827 1386753976 /nfs/dbraw/zinc/75/39/76/1386753976.db2.gz ONSOQAPNTOEVCP-SFHVURJKSA-N 2 0 331.504 3.110 20 0 EGADRP Cc1cc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)cs1 ZINC001180369632 1386776800 /nfs/dbraw/zinc/77/68/00/1386776800.db2.gz PWSYZESGJYLVQN-UHFFFAOYSA-N 2 0 339.549 3.163 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001180369831 1386777129 /nfs/dbraw/zinc/77/71/29/1386777129.db2.gz ZWMQQSDIDKQKJW-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180372890 1386777702 /nfs/dbraw/zinc/77/77/02/1386777702.db2.gz LOEDZLQDLPTVIT-MSOLQXFVSA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)[NH+]1CCCC1 ZINC001180372847 1386777888 /nfs/dbraw/zinc/77/78/88/1386777888.db2.gz IFKUNGIWSXVUBJ-ZWKOTPCHSA-N 2 0 343.531 3.121 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180373271 1386777910 /nfs/dbraw/zinc/77/79/10/1386777910.db2.gz ZUIXQKLOERFGRJ-MSOLQXFVSA-N 2 0 325.541 3.173 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001321693937 1386958442 /nfs/dbraw/zinc/95/84/42/1386958442.db2.gz VUQCOLUMQCIHIC-MSOLQXFVSA-N 2 0 345.531 3.271 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001321908891 1387008173 /nfs/dbraw/zinc/00/81/73/1387008173.db2.gz KHFDXXYVMXPTPK-GJZGRUSLSA-N 2 0 349.906 3.124 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001321977396 1387021739 /nfs/dbraw/zinc/02/17/39/1387021739.db2.gz BINKDLYGALGOBC-GRDNDAEWSA-N 2 0 339.911 3.082 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001322089854 1387050000 /nfs/dbraw/zinc/05/00/00/1387050000.db2.gz UITUBJSLROIJEX-ZWKOTPCHSA-N 2 0 331.504 3.026 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC001181896616 1387072337 /nfs/dbraw/zinc/07/23/37/1387072337.db2.gz PRKSQCKZVQFKRL-SHJAMOMRSA-N 2 0 345.531 3.162 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1)[NH+](CC)CC ZINC001182599300 1387194963 /nfs/dbraw/zinc/19/49/63/1387194963.db2.gz UKTKYTRUGNNASV-WSTZPKSXSA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629874 1387199028 /nfs/dbraw/zinc/19/90/28/1387199028.db2.gz MWISGXSGYGJYAW-TWILZGLNSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329462793 1389118844 /nfs/dbraw/zinc/11/88/44/1389118844.db2.gz ZUFWZSZBBDDUPN-APWZRJJASA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001329569426 1389159446 /nfs/dbraw/zinc/15/94/46/1389159446.db2.gz AVEIMYVVVGHYGG-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001331562016 1389800439 /nfs/dbraw/zinc/80/04/39/1389800439.db2.gz WWORHSVSZJHFQB-LPHOPBHVSA-N 2 0 347.547 3.261 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001332199536 1390036766 /nfs/dbraw/zinc/03/67/66/1390036766.db2.gz QDOPQOJKQTVNFU-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001339599997 1390080257 /nfs/dbraw/zinc/08/02/57/1390080257.db2.gz QSJSOYGLMUZYAI-SFHVURJKSA-N 2 0 326.488 3.297 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001332725098 1390170673 /nfs/dbraw/zinc/17/06/73/1390170673.db2.gz PGXYWAJMCTVFQJ-SFHVURJKSA-N 2 0 331.504 3.017 20 0 EGADRP C[C@H]([NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C)c1ccccc1 ZINC001332840707 1390198636 /nfs/dbraw/zinc/19/86/36/1390198636.db2.gz GGQCARGVMIWCKL-WMZOPIPTSA-N 2 0 345.531 3.210 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC001340049076 1390215643 /nfs/dbraw/zinc/21/56/43/1390215643.db2.gz LSTAZNFZNUSYMK-DLBZAZTESA-N 2 0 331.504 3.047 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCCC1)C1CC([NH2+]CCC2CCCC2)C1 ZINC001333153676 1390257303 /nfs/dbraw/zinc/25/73/03/1390257303.db2.gz MILBLXLDOMSNBG-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(C)c1OC ZINC001334355199 1390523925 /nfs/dbraw/zinc/52/39/25/1390523925.db2.gz AMHSTIMPSJPRJQ-KSZLIROESA-N 2 0 332.488 3.174 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](CC[NH3+])c3ccccc32)o1 ZINC001342299711 1390598137 /nfs/dbraw/zinc/59/81/37/1390598137.db2.gz GTMVAGKSHJXYSX-HNNXBMFYSA-N 2 0 341.455 3.214 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001335133858 1390646979 /nfs/dbraw/zinc/64/69/79/1390646979.db2.gz LLANUISDDBBEJI-ARFHVFGLSA-N 2 0 336.549 3.151 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](CC2CCCC2)CC1)Nc1cccc(F)c1 ZINC001335344726 1390674196 /nfs/dbraw/zinc/67/41/96/1390674196.db2.gz DZRZMCQESPODAL-UHFFFAOYSA-N 2 0 347.478 3.399 20 0 EGADRP COC1(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC001335507266 1390695560 /nfs/dbraw/zinc/69/55/60/1390695560.db2.gz OFUBHSDKCZLTFR-UHFFFAOYSA-N 2 0 346.515 3.074 20 0 EGADRP Fc1ccc(-c2cnc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)o2)cc1 ZINC001346104779 1390908017 /nfs/dbraw/zinc/90/80/17/1390908017.db2.gz ICEFEWVBCDAEEE-UHFFFAOYSA-N 2 0 329.419 3.446 20 0 EGADRP CCc1ccc(C[NH2+]C2(CNC(=O)[C@H](CC)[NH+](C)C)CCCC2)cc1 ZINC001698806075 1406487114 /nfs/dbraw/zinc/48/71/14/1406487114.db2.gz JDNOSQVINIKREG-IBGZPJMESA-N 2 0 345.531 3.108 20 0 EGADRP [NH3+]CC1CCC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001348900274 1391280965 /nfs/dbraw/zinc/28/09/65/1391280965.db2.gz BMYHQDAEINNQMN-UHFFFAOYSA-N 3 0 329.532 3.396 20 0 EGADRP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[NH+]1CCCCC1 ZINC001353556319 1392038801 /nfs/dbraw/zinc/03/88/01/1392038801.db2.gz RURHMCVBAGBJMZ-YLJYHZDGSA-N 2 0 343.515 3.100 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001479890736 1392461479 /nfs/dbraw/zinc/46/14/79/1392461479.db2.gz CRCZVUIEUAWEQJ-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001480083198 1392573071 /nfs/dbraw/zinc/57/30/71/1392573071.db2.gz AFDQQLQYEWXAQM-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001480268092 1392652109 /nfs/dbraw/zinc/65/21/09/1392652109.db2.gz VTOFJWFXESVYFL-VQTJNVASSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1c(C)cccc1C ZINC001480333046 1392692322 /nfs/dbraw/zinc/69/23/22/1392692322.db2.gz SWIUQSHDSPDBKV-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccccc1C(C)C ZINC001480951829 1393043218 /nfs/dbraw/zinc/04/32/18/1393043218.db2.gz OBXRRZKAWWFANV-HXUWFJFHSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001481216297 1393150376 /nfs/dbraw/zinc/15/03/76/1393150376.db2.gz XKKCGVFIYUQVSB-LPHOPBHVSA-N 2 0 331.504 3.013 20 0 EGADRP CCc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC2)cc1 ZINC001490411012 1394218470 /nfs/dbraw/zinc/21/84/70/1394218470.db2.gz JTZBKPYIFOCBRI-HXUWFJFHSA-N 2 0 345.531 3.012 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1)C1CCCCC1 ZINC001490553681 1394254109 /nfs/dbraw/zinc/25/41/09/1394254109.db2.gz ZODCWRFCVWKIPP-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C[N@H+](C)CCC3CCCC3)CC2)CCC1 ZINC001481514689 1394362124 /nfs/dbraw/zinc/36/21/24/1394362124.db2.gz KRRGRYDPWUNSKJ-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC001490956815 1394384071 /nfs/dbraw/zinc/38/40/71/1394384071.db2.gz JLHMMSYBWVMWJI-MISYRCLQSA-N 2 0 343.515 3.251 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1 ZINC001698951237 1406691931 /nfs/dbraw/zinc/69/19/31/1406691931.db2.gz DZKXYACSNJIXTP-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)cs1 ZINC001491209424 1394471869 /nfs/dbraw/zinc/47/18/69/1394471869.db2.gz DVWAMNVJTKAZBI-QGZVFWFLSA-N 2 0 349.544 3.012 20 0 EGADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CCCCCC1 ZINC001481819083 1394544703 /nfs/dbraw/zinc/54/47/03/1394544703.db2.gz QJAJABUIAMFQFQ-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H](CNC(=O)CCc1cncn1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481877293 1394572360 /nfs/dbraw/zinc/57/23/60/1394572360.db2.gz RRLUKJIQDACWKD-QGZVFWFLSA-N 2 0 348.535 3.054 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001482220589 1394814243 /nfs/dbraw/zinc/81/42/43/1394814243.db2.gz DNRJGNCQQKFRKM-IBGZPJMESA-N 2 0 343.515 3.080 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(C[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC001482245635 1394842854 /nfs/dbraw/zinc/84/28/54/1394842854.db2.gz LMQBOIREWBEPHJ-GOSISDBHSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482319435 1394891020 /nfs/dbraw/zinc/89/10/20/1394891020.db2.gz KOHUPJFTHQTBQH-QFBILLFUSA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC001698970399 1406733212 /nfs/dbraw/zinc/73/32/12/1406733212.db2.gz IHDULZQGGSSUEY-XLIONFOSSA-N 2 0 345.531 3.210 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001482477784 1395032295 /nfs/dbraw/zinc/03/22/95/1395032295.db2.gz IDZPRKZHDHWSAK-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001483959602 1395163089 /nfs/dbraw/zinc/16/30/89/1395163089.db2.gz ZAYPFZQMJYJKCU-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2cc(C)ccc2C)CC1)[NH+](C)C ZINC001483974189 1395170722 /nfs/dbraw/zinc/17/07/22/1395170722.db2.gz UZRCWKHDMYAFQZ-IBGZPJMESA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001484137661 1395274529 /nfs/dbraw/zinc/27/45/29/1395274529.db2.gz SVSIHDKPWQHTCO-UHFFFAOYSA-N 2 0 349.544 3.052 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CC3CCCCC3)C2)CCC1 ZINC001484161808 1395296050 /nfs/dbraw/zinc/29/60/50/1395296050.db2.gz ZKFVTBGYSQWLQP-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001715519185 1420204934 /nfs/dbraw/zinc/20/49/34/1420204934.db2.gz GBHPCKQVYRPWNQ-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001484393612 1395364710 /nfs/dbraw/zinc/36/47/10/1395364710.db2.gz DAGGFUCJJZYJKF-IYARVYRRSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)CC1)[NH+](C)C ZINC001484395396 1395365848 /nfs/dbraw/zinc/36/58/48/1395365848.db2.gz VYYANWZGMNEAHK-VAMGGRTRSA-N 2 0 345.531 3.039 20 0 EGADRP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001484558474 1395440882 /nfs/dbraw/zinc/44/08/82/1395440882.db2.gz HCISQHDTBUMOEQ-APWZRJJASA-N 2 0 333.520 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1F ZINC001485040609 1395647167 /nfs/dbraw/zinc/64/71/67/1395647167.db2.gz QQRCANDPDFUTNJ-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CN(CC[N@H+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001698988524 1406774647 /nfs/dbraw/zinc/77/46/47/1406774647.db2.gz FLPPAUWVSMPNIZ-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001485527154 1395996967 /nfs/dbraw/zinc/99/69/67/1395996967.db2.gz QHSGKZFRYICEJI-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698996876 1406796787 /nfs/dbraw/zinc/79/67/87/1406796787.db2.gz GMOHGDJTHVTVBT-INIZCTEOSA-N 2 0 349.494 3.009 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001485531892 1396002829 /nfs/dbraw/zinc/00/28/29/1396002829.db2.gz BGHVVLLAMCXNOK-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2C[NH+](CC3CCCCC3)C2)CCCCC1 ZINC001494576793 1396475011 /nfs/dbraw/zinc/47/50/11/1396475011.db2.gz XIPXJWYUVJQNTI-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001496417614 1396701057 /nfs/dbraw/zinc/70/10/57/1396701057.db2.gz BJHGBAMFHYOULH-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001497330352 1396750291 /nfs/dbraw/zinc/75/02/91/1396750291.db2.gz GZHBRQPJNFXDPC-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498454719 1397001065 /nfs/dbraw/zinc/00/10/65/1397001065.db2.gz DRNQLOUPWGMEMW-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001690029057 1404266981 /nfs/dbraw/zinc/26/69/81/1404266981.db2.gz RLSAGIHGJXUDMH-QGZVFWFLSA-N 2 0 331.504 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001690504600 1404616976 /nfs/dbraw/zinc/61/69/76/1404616976.db2.gz GCGTXUKTXZJNMC-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1c(C(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001725176260 1425692460 /nfs/dbraw/zinc/69/24/60/1425692460.db2.gz YUVJYEVKMPAQJF-CVEARBPZSA-N 2 0 344.503 3.375 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690819063 1404754606 /nfs/dbraw/zinc/75/46/06/1404754606.db2.gz SXJWXIBNSUGBPZ-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cc(C)ccc1C ZINC001691055299 1404974121 /nfs/dbraw/zinc/97/41/21/1404974121.db2.gz AHMRIZDVMADHGT-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001691749979 1405469013 /nfs/dbraw/zinc/46/90/13/1405469013.db2.gz GTFZSCMMUFKZMD-HQRMLTQVSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001691817777 1405532018 /nfs/dbraw/zinc/53/20/18/1405532018.db2.gz HIDASYQBKRZTFE-MXVIHJGJSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001692112097 1405776317 /nfs/dbraw/zinc/77/63/17/1405776317.db2.gz NEIRGIGIGVCKKY-GNAXCBTBSA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)c1ccccc1C ZINC001732203952 1428454040 /nfs/dbraw/zinc/45/40/40/1428454040.db2.gz JQNSYXMMSNUYLZ-MSOLQXFVSA-N 2 0 343.515 3.169 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CCCC1 ZINC001732399772 1428565780 /nfs/dbraw/zinc/56/57/80/1428565780.db2.gz PEYSDPFBKOUUNR-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732442301 1428582879 /nfs/dbraw/zinc/58/28/79/1428582879.db2.gz GHDKUAJPUZTJQX-ROUUACIJSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@H]([NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001699200558 1412569172 /nfs/dbraw/zinc/56/91/72/1412569172.db2.gz MDQVRPVUIOHDTP-IBGZPJMESA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC001699676901 1413071300 /nfs/dbraw/zinc/07/13/00/1413071300.db2.gz YEALABMTSRGVHO-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001699849511 1413278913 /nfs/dbraw/zinc/27/89/13/1413278913.db2.gz USTXANWAWDWKAX-OXJNMPFZSA-N 2 0 349.494 3.057 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001699863837 1413299431 /nfs/dbraw/zinc/29/94/31/1413299431.db2.gz CJZFLTLLEITKFN-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700177766 1413587036 /nfs/dbraw/zinc/58/70/36/1413587036.db2.gz SRIXYPNHEQFQCE-PKOBYXMFSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001700185351 1413604173 /nfs/dbraw/zinc/60/41/73/1413604173.db2.gz ZSYMRDVKPXTJBQ-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001700321295 1413787555 /nfs/dbraw/zinc/78/75/55/1413787555.db2.gz YYSVZDXATDQHAA-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CCC1CC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001700342985 1413827076 /nfs/dbraw/zinc/82/70/76/1413827076.db2.gz NVUQMPHZPPLLDB-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001700363394 1413881941 /nfs/dbraw/zinc/88/19/41/1413881941.db2.gz JOSBUCXAINUZJQ-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC001700442055 1414014431 /nfs/dbraw/zinc/01/44/31/1414014431.db2.gz KHHHZUHKAFOOBX-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)C/C=C\c1ccccc1 ZINC001700473507 1414096633 /nfs/dbraw/zinc/09/66/33/1414096633.db2.gz FFWXPRCKIFCQEY-ADYSOMBNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001700479886 1414113909 /nfs/dbraw/zinc/11/39/09/1414113909.db2.gz CTQHNKJOFVCUOL-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001700479885 1414114153 /nfs/dbraw/zinc/11/41/53/1414114153.db2.gz CTQHNKJOFVCUOL-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001700556134 1414226499 /nfs/dbraw/zinc/22/64/99/1414226499.db2.gz XSDWQUUDUXYHSX-HNAYVOBHSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001700858685 1414505921 /nfs/dbraw/zinc/50/59/21/1414505921.db2.gz MFBRZIAABVXDHY-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001732744879 1428942569 /nfs/dbraw/zinc/94/25/69/1428942569.db2.gz GRNGFNLAFGBVHX-HNAYVOBHSA-N 2 0 349.494 3.029 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733037410 1429163535 /nfs/dbraw/zinc/16/35/35/1429163535.db2.gz GIIOXPLIQUZCMO-SFHVURJKSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001707065143 1417179967 /nfs/dbraw/zinc/17/99/67/1417179967.db2.gz VOAODIFOHJBHTJ-MKXGPGLRSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH2+]C(C)C)ccc2c[nH+]cn21 ZINC001707133907 1417215818 /nfs/dbraw/zinc/21/58/18/1417215818.db2.gz MAUGJPYKBXDKPM-BEFAXECRSA-N 2 0 342.487 3.272 20 0 EGADRP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001707434430 1417338923 /nfs/dbraw/zinc/33/89/23/1417338923.db2.gz DSTLFGYSOXTMAI-PXNSSMCTSA-N 2 0 345.531 3.174 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707436124 1417340217 /nfs/dbraw/zinc/34/02/17/1417340217.db2.gz GSMIZPCCMFWINT-QFBILLFUSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001707447361 1417351282 /nfs/dbraw/zinc/35/12/82/1417351282.db2.gz QSVPJBZKRCSYGD-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccccc1C ZINC001713002082 1417555639 /nfs/dbraw/zinc/55/56/39/1417555639.db2.gz GYCABWHGVQCDDK-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001733055194 1429198173 /nfs/dbraw/zinc/19/81/73/1429198173.db2.gz UITGOCOQVSUCTB-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)C1 ZINC001713142667 1417724582 /nfs/dbraw/zinc/72/45/82/1417724582.db2.gz CWPPGBAPJHPZEI-LWYYNNOASA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001713399692 1418020753 /nfs/dbraw/zinc/02/07/53/1418020753.db2.gz RGPQQDNQIYHGFZ-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001713452735 1418098955 /nfs/dbraw/zinc/09/89/55/1418098955.db2.gz ARBDTHCBSIROBN-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)c1cc(C)ccc1C ZINC001713549414 1418325973 /nfs/dbraw/zinc/32/59/73/1418325973.db2.gz QRIALTVGOJZEOV-AZUAARDMSA-N 2 0 345.531 3.287 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](Cc1csc(C)c1)C1CC1 ZINC001713558014 1418352638 /nfs/dbraw/zinc/35/26/38/1418352638.db2.gz VJDGRRZLNQJISG-SFHVURJKSA-N 2 0 349.544 3.012 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](CC)c1ccccc1 ZINC001713598530 1418388697 /nfs/dbraw/zinc/38/86/97/1418388697.db2.gz UJBCYJDGUBRGKH-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001713764235 1418575660 /nfs/dbraw/zinc/57/56/60/1418575660.db2.gz VLKHAEDSVMWUIX-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713804905 1418617883 /nfs/dbraw/zinc/61/78/83/1418617883.db2.gz NEIRGIGIGVCKKY-RTLBZRNLSA-N 2 0 335.536 3.189 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714036008 1418824435 /nfs/dbraw/zinc/82/44/35/1418824435.db2.gz PKXSWWGEACUGKR-QZTJIDSGSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001714088529 1418881679 /nfs/dbraw/zinc/88/16/79/1418881679.db2.gz LBPUJMNXHCKZSZ-HKUYNNGSSA-N 2 0 343.515 3.169 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001714138603 1418941450 /nfs/dbraw/zinc/94/14/50/1418941450.db2.gz PRQCZNSKUQMNDF-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCc1cccc(C[NH2+]C2CCC(NC(=O)CC[N@@H+](C)CC)CC2)c1 ZINC001714197875 1419002655 /nfs/dbraw/zinc/00/26/55/1419002655.db2.gz WZRLVWFXNKXMMM-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP CCC(CC)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001714319946 1419098115 /nfs/dbraw/zinc/09/81/15/1419098115.db2.gz YRTFBLNQKYOUHI-OXQOHEQNSA-N 2 0 345.531 3.169 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001714451730 1419183876 /nfs/dbraw/zinc/18/38/76/1419183876.db2.gz CWJOLZJCQHNCPX-GOSISDBHSA-N 2 0 345.531 3.021 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714476386 1419199771 /nfs/dbraw/zinc/19/97/71/1419199771.db2.gz FUZJGIUTNSINKT-QZTJIDSGSA-N 2 0 343.515 3.169 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001714829101 1419539087 /nfs/dbraw/zinc/53/90/87/1419539087.db2.gz CMEXBNQPNKOWFW-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1F)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001714879895 1419615664 /nfs/dbraw/zinc/61/56/64/1419615664.db2.gz KCLIYWSEIPBNRF-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CCc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2)c1 ZINC001715001761 1419732548 /nfs/dbraw/zinc/73/25/48/1419732548.db2.gz OOMXUIXNTNTYTF-PMACEKPBSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001715024154 1419755757 /nfs/dbraw/zinc/75/57/57/1419755757.db2.gz QKZHQANXYQKTMB-IBGZPJMESA-N 2 0 345.531 3.185 20 0 EGADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715075640 1419810473 /nfs/dbraw/zinc/81/04/73/1419810473.db2.gz YFDPZBLFACLVBW-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001715089718 1419830159 /nfs/dbraw/zinc/83/01/59/1419830159.db2.gz YWUOPUJTRBZCPB-PMACEKPBSA-N 2 0 345.531 3.354 20 0 EGADRP CC1CC(C[NH2+]CC2(NC(=O)CCC[NH+]3CCCCC3)CCCC2)C1 ZINC001715104262 1419845693 /nfs/dbraw/zinc/84/56/93/1419845693.db2.gz QHABDSOMRJJILT-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1cc(C)cc(C)c1)C1CC1)[NH+](C)C ZINC001715115362 1419860151 /nfs/dbraw/zinc/86/01/51/1419860151.db2.gz RZNMSUBRBVPDKZ-TZIWHRDSSA-N 2 0 345.531 3.018 20 0 EGADRP CC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC[C@@H]1C ZINC001715127100 1419874015 /nfs/dbraw/zinc/87/40/15/1419874015.db2.gz IGBFHSJTPLJPSK-FXAWDEMLSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](CC[NH2+]C(C)C)C2)o1 ZINC001715159306 1419901234 /nfs/dbraw/zinc/90/12/34/1419901234.db2.gz DDVKRFVUWPAKER-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001715200841 1419933091 /nfs/dbraw/zinc/93/30/91/1419933091.db2.gz RIVYTNQMZWTBOT-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001715315038 1420024299 /nfs/dbraw/zinc/02/42/99/1420024299.db2.gz JZFWSOFZJWXWEJ-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001715326021 1420032798 /nfs/dbraw/zinc/03/27/98/1420032798.db2.gz DRBBBFFGRNXZRZ-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001715369771 1420066540 /nfs/dbraw/zinc/06/65/40/1420066540.db2.gz RHNKQUOGJFZUQH-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccccc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001715957087 1420423009 /nfs/dbraw/zinc/42/30/09/1420423009.db2.gz FQHBEUQORCLCFQ-FQEVSTJZSA-N 2 0 345.531 3.148 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716033030 1420492049 /nfs/dbraw/zinc/49/20/49/1420492049.db2.gz SUMJQHVEPJIBTA-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001716074147 1420529080 /nfs/dbraw/zinc/52/90/80/1420529080.db2.gz WEEIVDKIRIBQAW-WOJBJXKFSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001716420629 1420647700 /nfs/dbraw/zinc/64/77/00/1420647700.db2.gz WYKGXRQAAVTXPN-BEFAXECRSA-N 2 0 349.494 3.029 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716446576 1420664721 /nfs/dbraw/zinc/66/47/21/1420664721.db2.gz DJMDEUBFCZKLLY-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)cc1 ZINC001716496537 1420721254 /nfs/dbraw/zinc/72/12/54/1420721254.db2.gz XIERNZHWXJIPBQ-KRWDZBQOSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001716508848 1420740422 /nfs/dbraw/zinc/74/04/22/1420740422.db2.gz RCNMVDKKXKDMKS-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001733272461 1429435299 /nfs/dbraw/zinc/43/52/99/1429435299.db2.gz KSMPIOXLDVVAFV-YQQQUEKLSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001716884061 1421007815 /nfs/dbraw/zinc/00/78/15/1421007815.db2.gz OSAQUDRYAANBPC-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC[NH2+]C(C)C)Cc2ccccc2)C1 ZINC001717007381 1421075168 /nfs/dbraw/zinc/07/51/68/1421075168.db2.gz ZBTRWUKVFYXBJH-HXUWFJFHSA-N 2 0 345.531 3.135 20 0 EGADRP CCc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001717145149 1421137949 /nfs/dbraw/zinc/13/79/49/1421137949.db2.gz FJGWCGYSRNVFOG-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001733289500 1429467308 /nfs/dbraw/zinc/46/73/08/1429467308.db2.gz RLFDRONJOYUSAO-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)c1 ZINC001717359282 1421294299 /nfs/dbraw/zinc/29/42/99/1421294299.db2.gz KWWCAEDQGZOEKU-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)CCC1 ZINC001733293190 1429473917 /nfs/dbraw/zinc/47/39/17/1429473917.db2.gz BZDUZWOORILVLJ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N(CC[N@H+](C)Cc1cc(C)ccc1C)C(C)C)[NH+](C)C ZINC001717952559 1421723738 /nfs/dbraw/zinc/72/37/38/1421723738.db2.gz YQBNHJHCZJBVBB-FQEVSTJZSA-N 2 0 347.547 3.312 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[C@@H]1C ZINC001733335399 1429520498 /nfs/dbraw/zinc/52/04/98/1429520498.db2.gz IWKGHLQXKWPFAR-QYLKWSRPSA-N 2 0 343.515 3.011 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(C)(C)C)CC1 ZINC001733391301 1429581170 /nfs/dbraw/zinc/58/11/70/1429581170.db2.gz ZIYMMHCVCJOCKS-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1nc[nH]c1CC(=O)NCC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001733453758 1429667604 /nfs/dbraw/zinc/66/76/04/1429667604.db2.gz UGFUCGHPOPJEDW-UHFFFAOYSA-N 2 0 348.535 3.305 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)c1 ZINC001723558411 1424464455 /nfs/dbraw/zinc/46/44/55/1424464455.db2.gz MEUNWJKFNPIAQH-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001723571818 1424470339 /nfs/dbraw/zinc/47/03/39/1424470339.db2.gz SVMJZGLYZGXZAF-MSOLQXFVSA-N 2 0 337.552 3.170 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](CC2CC2)CC2CCCC2)CC1 ZINC001723649005 1424513107 /nfs/dbraw/zinc/51/31/07/1424513107.db2.gz CLCRZOXPIQDADD-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001724748935 1425118319 /nfs/dbraw/zinc/11/83/19/1425118319.db2.gz XITJQEUDXPHGQF-KRWDZBQOSA-N 2 0 331.504 3.095 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001724753832 1425124566 /nfs/dbraw/zinc/12/45/66/1425124566.db2.gz IFHKKPMPLMSOBZ-BJLQDIEVSA-N 2 0 345.531 3.354 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1C ZINC001724859270 1425240174 /nfs/dbraw/zinc/24/01/74/1425240174.db2.gz BMNOMQHAXNLJGM-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(F)c2)[C@H](C)C1 ZINC001725003288 1425413951 /nfs/dbraw/zinc/41/39/51/1425413951.db2.gz PAAYZIQBPZCFSV-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001725003482 1425414366 /nfs/dbraw/zinc/41/43/66/1425414366.db2.gz PQQZJDJWAQRCBT-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001725141246 1425620354 /nfs/dbraw/zinc/62/03/54/1425620354.db2.gz DAACGZASPYWDQA-QGZVFWFLSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001725144430 1425624535 /nfs/dbraw/zinc/62/45/35/1425624535.db2.gz PTMNGIRZXDGSDW-UHFFFAOYSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC1CCCCCC1 ZINC001725189085 1425730028 /nfs/dbraw/zinc/73/00/28/1425730028.db2.gz IFPRIEORXCHLTM-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001725249198 1425868870 /nfs/dbraw/zinc/86/88/70/1425868870.db2.gz PIMNUOQYBBVKLX-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001725255948 1425879500 /nfs/dbraw/zinc/87/95/00/1425879500.db2.gz DCBSGVMJGAJIHR-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1F ZINC001725514692 1426205008 /nfs/dbraw/zinc/20/50/08/1426205008.db2.gz LMCQSDRXHLFBOV-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001725631040 1426298462 /nfs/dbraw/zinc/29/84/62/1426298462.db2.gz OEXCDPBHMKSYBZ-AEFFLSMTSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001731430600 1427412497 /nfs/dbraw/zinc/41/24/97/1427412497.db2.gz BIEDPXCJCINLCM-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001731536199 1427533009 /nfs/dbraw/zinc/53/30/09/1427533009.db2.gz MCUPVJJSKXHXLZ-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001731544086 1427558919 /nfs/dbraw/zinc/55/89/19/1427558919.db2.gz WJIGZHGEOJLVRF-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001731719542 1427787087 /nfs/dbraw/zinc/78/70/87/1427787087.db2.gz IUVMOGIJXWQBFH-IBGZPJMESA-N 2 0 345.531 3.068 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+](C)CCCC(C)(C)C ZINC001731772541 1427886126 /nfs/dbraw/zinc/88/61/26/1427886126.db2.gz LISZDUAWJGNVJZ-UHFFFAOYSA-N 2 0 339.549 3.298 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001731855544 1428089069 /nfs/dbraw/zinc/08/90/69/1428089069.db2.gz NWUUPOPWSNVXFH-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1CCCCC1 ZINC001731870131 1428124504 /nfs/dbraw/zinc/12/45/04/1428124504.db2.gz QQAZXQAFSOKTFW-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)[C@@H](C)c1ccccc1 ZINC001731873534 1428134642 /nfs/dbraw/zinc/13/46/42/1428134642.db2.gz LEJSZTBPUGDJGW-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001733710772 1429926321 /nfs/dbraw/zinc/92/63/21/1429926321.db2.gz POIOYPBQWLWVRY-VAMGGRTRSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001733781016 1430043578 /nfs/dbraw/zinc/04/35/78/1430043578.db2.gz ZDTZWBUKUHXFTQ-LJQANCHMSA-N 2 0 345.531 3.042 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001733783164 1430051858 /nfs/dbraw/zinc/05/18/58/1430051858.db2.gz WPYQHTZKFCMTLG-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001733906067 1437723813 /nfs/dbraw/zinc/72/38/13/1437723813.db2.gz SSQCRNSWKVEZBN-ZQIUZPCESA-N 2 0 339.911 3.226 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](CC)C(C)C)CC1)[NH+](CC)CC ZINC001733919769 1437733452 /nfs/dbraw/zinc/73/34/52/1437733452.db2.gz JPAMNVUTLXYLDH-GOSISDBHSA-N 2 0 325.541 3.076 20 0 EGADRP CC[N@H+](CCC1CC1)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733920751 1437734958 /nfs/dbraw/zinc/73/49/58/1437734958.db2.gz UQZSWTIVIJHMPF-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001733921892 1437735716 /nfs/dbraw/zinc/73/57/16/1437735716.db2.gz YRRXTQUAYAISDQ-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001733936164 1437750368 /nfs/dbraw/zinc/75/03/68/1437750368.db2.gz APIKTNVEFLZEMO-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001734117046 1437899020 /nfs/dbraw/zinc/89/90/20/1437899020.db2.gz LKCOEUUUTULGSA-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001752439596 1440180896 /nfs/dbraw/zinc/18/08/96/1440180896.db2.gz KOMWKPKPUWZULZ-LIXSYLKWSA-N 2 0 349.563 3.388 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)c(C)c1 ZINC001752665537 1440198654 /nfs/dbraw/zinc/19/86/54/1440198654.db2.gz QFFSPZXBXZNOKY-WGSAOQKQSA-N 2 0 345.531 3.018 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001752773054 1440206346 /nfs/dbraw/zinc/20/63/46/1440206346.db2.gz UQXIDHHQOCKWLU-YSTOQKLRSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001752783211 1440209891 /nfs/dbraw/zinc/20/98/91/1440209891.db2.gz WBKDXBUQVZQBRT-LJQANCHMSA-N 2 0 349.563 3.271 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001752809509 1440216291 /nfs/dbraw/zinc/21/62/91/1440216291.db2.gz FNVKCKMDTVFYSL-WOJBJXKFSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001752818804 1440219481 /nfs/dbraw/zinc/21/94/81/1440219481.db2.gz JDLPISDGMPZEDY-PDTMIUJASA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001752820044 1440219949 /nfs/dbraw/zinc/21/99/49/1440219949.db2.gz ICGXKYFINVLTKC-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752825209 1440223247 /nfs/dbraw/zinc/22/32/47/1440223247.db2.gz NHQNHKOTLOVNSQ-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001752828044 1440224351 /nfs/dbraw/zinc/22/43/51/1440224351.db2.gz XYPSOOZCHUYIOG-GOSISDBHSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001752835198 1440227291 /nfs/dbraw/zinc/22/72/91/1440227291.db2.gz CEUJHBNNWXHKTG-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752841455 1440230592 /nfs/dbraw/zinc/23/05/92/1440230592.db2.gz QUMARCUQSRWMMR-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001752852597 1440233941 /nfs/dbraw/zinc/23/39/41/1440233941.db2.gz LYASIYCWOMLIAB-ACBHZAAOSA-N 2 0 337.552 3.457 20 0 EGADRP CC(C)CC[NH2+]C1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001752852904 1440234014 /nfs/dbraw/zinc/23/40/14/1440234014.db2.gz WEFGXCFAXZZNTA-LMDPOFIKSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001752855116 1440234688 /nfs/dbraw/zinc/23/46/88/1440234688.db2.gz JOFRZBLRGCXIIR-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752877000 1440238270 /nfs/dbraw/zinc/23/82/70/1440238270.db2.gz KVSRCNNLEFMFPL-SJLPKXTDSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001752897015 1440241904 /nfs/dbraw/zinc/24/19/04/1440241904.db2.gz QTOJQWAOHNNMTB-IRXDYDNUSA-N 2 0 341.499 3.337 20 0 EGADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001752917447 1440247486 /nfs/dbraw/zinc/24/74/86/1440247486.db2.gz MZCZZDMFXUOKRP-IAGOWNOFSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752949481 1440251873 /nfs/dbraw/zinc/25/18/73/1440251873.db2.gz LXHZBLLKMVVMLY-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001752983876 1440257633 /nfs/dbraw/zinc/25/76/33/1440257633.db2.gz QFAXOESQVOODAP-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753000332 1440264111 /nfs/dbraw/zinc/26/41/11/1440264111.db2.gz QNCHMNRHJHPHEW-FQEVSTJZSA-N 2 0 347.547 3.286 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001753008807 1440266414 /nfs/dbraw/zinc/26/64/14/1440266414.db2.gz PGAMHBDLOTVXMR-MSOLQXFVSA-N 2 0 343.515 3.169 20 0 EGADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001753011492 1440267165 /nfs/dbraw/zinc/26/71/65/1440267165.db2.gz ZJGWDVARHWUMRW-CVEARBPZSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001753029562 1440272537 /nfs/dbraw/zinc/27/25/37/1440272537.db2.gz FGONOZDWEUXENK-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CCCCCC1 ZINC001753052891 1440280030 /nfs/dbraw/zinc/28/00/30/1440280030.db2.gz JEYMBQSGTWBGGA-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCC2CCCCCC2)CC[N@@H+]1C ZINC001753062093 1440283920 /nfs/dbraw/zinc/28/39/20/1440283920.db2.gz VFYXJLGTENCCQD-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@@H](C)c2cccc(F)c2)CC[N@@H+]1C ZINC001753082238 1440294565 /nfs/dbraw/zinc/29/45/65/1440294565.db2.gz HDIGQSRSMIFZTL-ZYSHUDEJSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001753088367 1440297852 /nfs/dbraw/zinc/29/78/52/1440297852.db2.gz GCJHPNGEPHIQHE-LJQANCHMSA-N 2 0 345.531 3.090 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001753105241 1440305950 /nfs/dbraw/zinc/30/59/50/1440305950.db2.gz ANQCZLIRQZORHD-RBUKOAKNSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753139302 1440320439 /nfs/dbraw/zinc/32/04/39/1440320439.db2.gz YPDREBQYTZQAMN-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001753162245 1440334648 /nfs/dbraw/zinc/33/46/48/1440334648.db2.gz ZAVPPYJTMSQRML-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CCC1CCCCC1)C1CC1 ZINC001753164746 1440335661 /nfs/dbraw/zinc/33/56/61/1440335661.db2.gz FOEVFEUUWDZVOV-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001753240476 1440342119 /nfs/dbraw/zinc/34/21/19/1440342119.db2.gz UITLQQSCIBITAS-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001753294277 1440351541 /nfs/dbraw/zinc/35/15/41/1440351541.db2.gz JGZUOCQNIFIDQW-XLIONFOSSA-N 2 0 345.531 3.307 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001753315631 1440359297 /nfs/dbraw/zinc/35/92/97/1440359297.db2.gz CAUGTWJTTWOQCP-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753335131 1440371770 /nfs/dbraw/zinc/37/17/70/1440371770.db2.gz JLZRGQCQLZXGGV-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001753359295 1440381778 /nfs/dbraw/zinc/38/17/78/1440381778.db2.gz WJODNHHQOGOSSB-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001753360092 1440382295 /nfs/dbraw/zinc/38/22/95/1440382295.db2.gz PYJKWIMPDPOXAE-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753368337 1440386629 /nfs/dbraw/zinc/38/66/29/1440386629.db2.gz KTMUTXBYFAWFRL-ZYHOBAKYSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001753403696 1440391514 /nfs/dbraw/zinc/39/15/14/1440391514.db2.gz FXYDTSHKIXKEQQ-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001753428641 1440397680 /nfs/dbraw/zinc/39/76/80/1440397680.db2.gz HTNWSXAYWQHODO-CMKODMSKSA-N 2 0 345.531 3.141 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438487 1440400668 /nfs/dbraw/zinc/40/06/68/1440400668.db2.gz AHJDPJVAJKUQMV-QZTJIDSGSA-N 2 0 343.515 3.073 20 0 EGADRP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753460440 1440410180 /nfs/dbraw/zinc/41/01/80/1440410180.db2.gz YFSYDARPOZKRMH-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753461093 1440410799 /nfs/dbraw/zinc/41/07/99/1440410799.db2.gz DDRPWVCCOMMTCG-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001753575760 1440439299 /nfs/dbraw/zinc/43/92/99/1440439299.db2.gz MECMNXSTXZDIHH-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001753581544 1440440259 /nfs/dbraw/zinc/44/02/59/1440440259.db2.gz RYHGVOXUXGGJAH-FRYIKTPZSA-N 2 0 345.531 3.413 20 0 EGADRP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001753588001 1440441877 /nfs/dbraw/zinc/44/18/77/1440441877.db2.gz WDOKKJLZOKCVIS-WGSAOQKQSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1 ZINC001753588035 1440441970 /nfs/dbraw/zinc/44/19/70/1440441970.db2.gz XKBIBQQJDJBSGU-WGSAOQKQSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001753605039 1440447806 /nfs/dbraw/zinc/44/78/06/1440447806.db2.gz VPBGSOHVHCUSMD-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001753617972 1440450120 /nfs/dbraw/zinc/45/01/20/1440450120.db2.gz CADSLWIOSWYDSF-APWZRJJASA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH2+]CC1CCCC1 ZINC001753641539 1440454641 /nfs/dbraw/zinc/45/46/41/1440454641.db2.gz XJNZTGYZKIUKTK-PXNSSMCTSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001753664236 1440459725 /nfs/dbraw/zinc/45/97/25/1440459725.db2.gz REPJRMUYYCEESI-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CCCC1 ZINC001753671518 1440462294 /nfs/dbraw/zinc/46/22/94/1440462294.db2.gz REISNEULHSXTES-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001753695592 1440467440 /nfs/dbraw/zinc/46/74/40/1440467440.db2.gz SURIIWRJYZDITE-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753718560 1440472476 /nfs/dbraw/zinc/47/24/76/1440472476.db2.gz MJGFGKVFQXGEOK-OAHLLOKOSA-N 2 0 345.512 3.060 20 0 EGADRP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753718425 1440472527 /nfs/dbraw/zinc/47/25/27/1440472527.db2.gz JQBOJZPZUTYGLG-KRWDZBQOSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CC(C)C1)C1CCCCC1 ZINC001753749837 1440482274 /nfs/dbraw/zinc/48/22/74/1440482274.db2.gz RFHRLXCMLJISMK-TVPLGVNVSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1 ZINC001753794485 1440489487 /nfs/dbraw/zinc/48/94/87/1440489487.db2.gz CZRBKQMCBBDIAC-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001753809338 1440492350 /nfs/dbraw/zinc/49/23/50/1440492350.db2.gz LVWSFLGROXXTKQ-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001753814449 1440493481 /nfs/dbraw/zinc/49/34/81/1440493481.db2.gz RBPHPIUGUXZVGB-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)C1 ZINC001753824302 1440497839 /nfs/dbraw/zinc/49/78/39/1440497839.db2.gz YROFHFJEKQDIIN-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753874732 1440518621 /nfs/dbraw/zinc/51/86/21/1440518621.db2.gz BHTKCKDBDAPQOM-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001753900558 1440523424 /nfs/dbraw/zinc/52/34/24/1440523424.db2.gz ZHGXMWUGYGPXGQ-KJBZUCPPSA-N 2 0 349.563 3.338 20 0 EGADRP C[C@H](CC[NH2+][C@H]1CCCc2ccccc21)NC(=O)C1([NH+](C)C)CCC1 ZINC001753970845 1440527154 /nfs/dbraw/zinc/52/71/54/1440527154.db2.gz LPVNARBXXJEAEL-APWZRJJASA-N 2 0 343.515 3.033 20 0 EGADRP CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001754045491 1440535053 /nfs/dbraw/zinc/53/50/53/1440535053.db2.gz QTQQMRMSAUSBJE-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H](C(=O)NC/C=C\C[NH2+]CCC1CCCC1)[NH+]1CCCCCC1 ZINC001754177863 1440547889 /nfs/dbraw/zinc/54/78/89/1440547889.db2.gz DSLLURCWTFWOLC-MJRGOJFPSA-N 2 0 335.536 3.093 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001754354176 1440591286 /nfs/dbraw/zinc/59/12/86/1440591286.db2.gz QZSUKYYCGVWCLF-UXHICEINSA-N 2 0 345.531 3.101 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001754354175 1440591380 /nfs/dbraw/zinc/59/13/80/1440591380.db2.gz QZSUKYYCGVWCLF-PMACEKPBSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cs1 ZINC001754379833 1440593211 /nfs/dbraw/zinc/59/32/11/1440593211.db2.gz GWZUZAVTNYLSKD-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001754407758 1440595984 /nfs/dbraw/zinc/59/59/84/1440595984.db2.gz KZTOUUOKEGHBDJ-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001754416727 1440596891 /nfs/dbraw/zinc/59/68/91/1440596891.db2.gz LHXFISWEWYAKOT-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CCc1ccc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001754416634 1440596913 /nfs/dbraw/zinc/59/69/13/1440596913.db2.gz RIPPTGNGESEGNC-HDICACEKSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C2CC2)c1 ZINC001754443451 1440599603 /nfs/dbraw/zinc/59/96/03/1440599603.db2.gz XYEFGQVIVLAZHC-OXQOHEQNSA-N 2 0 343.515 3.025 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001754471201 1440605458 /nfs/dbraw/zinc/60/54/58/1440605458.db2.gz WOWVHXPOXHRWNS-ROUUACIJSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754506165 1440616501 /nfs/dbraw/zinc/61/65/01/1440616501.db2.gz XOZMJPRJFKZXJV-RTBURBONSA-N 2 0 343.515 3.123 20 0 EGADRP C[C@@H](C(=O)NCC1([NH2+]CCCC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001754527885 1440621743 /nfs/dbraw/zinc/62/17/43/1440621743.db2.gz UEXCOVCOJSCPNX-KRWDZBQOSA-N 2 0 335.536 3.070 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001754531676 1440622773 /nfs/dbraw/zinc/62/27/73/1440622773.db2.gz KCOCIZDFMDFQLR-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754537894 1440625297 /nfs/dbraw/zinc/62/52/97/1440625297.db2.gz FYOFDGFCKKIGAC-HCZHMGAMSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754544355 1440626945 /nfs/dbraw/zinc/62/69/45/1440626945.db2.gz QZFGRZPVSBUFPJ-HAGHYFMRSA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001754561477 1440633765 /nfs/dbraw/zinc/63/37/65/1440633765.db2.gz VAJVZLKLJGDDTH-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001754609997 1440643763 /nfs/dbraw/zinc/64/37/63/1440643763.db2.gz XMBXJBJBEVDMCX-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754677058 1440660321 /nfs/dbraw/zinc/66/03/21/1440660321.db2.gz YYLZCLDRVJXXDH-PXNSSMCTSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001754702433 1440668253 /nfs/dbraw/zinc/66/82/53/1440668253.db2.gz SFVRLCGKAFEKGK-NRFANRHFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001754720009 1440672860 /nfs/dbraw/zinc/67/28/60/1440672860.db2.gz FWKLGNIMRJSMBV-LJQANCHMSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754735669 1440682249 /nfs/dbraw/zinc/68/22/49/1440682249.db2.gz IBFVHPDPPQTACG-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCC1)C2 ZINC001754783272 1440686833 /nfs/dbraw/zinc/68/68/33/1440686833.db2.gz NJJQVDMCTDIZEX-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754921443 1440709308 /nfs/dbraw/zinc/70/93/08/1440709308.db2.gz SFBCTXFKBCIJHI-LJQANCHMSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001754940342 1440711706 /nfs/dbraw/zinc/71/17/06/1440711706.db2.gz NKGOYTZLWCZBFV-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H](F)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001754946945 1440713492 /nfs/dbraw/zinc/71/34/92/1440713492.db2.gz BQIAELZYTUXWCE-HOTGVXAUSA-N 2 0 349.494 3.186 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001755033784 1440733122 /nfs/dbraw/zinc/73/31/22/1440733122.db2.gz FCSJRMLQOAHIHW-FQEVSTJZSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001755043411 1440738991 /nfs/dbraw/zinc/73/89/91/1440738991.db2.gz VQNMAQLABHNJKI-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CN(CCC[N@H+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755045725 1440740771 /nfs/dbraw/zinc/74/07/71/1440740771.db2.gz GMDXRRHDKYNORO-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001755071218 1440746591 /nfs/dbraw/zinc/74/65/91/1440746591.db2.gz LGLKCEQECGTDCX-XSAZBNQGSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001755073214 1440747413 /nfs/dbraw/zinc/74/74/13/1440747413.db2.gz LCMBHFRXUQYNMP-BQYQJAHWSA-N 2 0 346.519 3.404 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001755111556 1440754346 /nfs/dbraw/zinc/75/43/46/1440754346.db2.gz HMHWQMAUEIDAFP-FUHWJXTLSA-N 2 0 335.536 3.042 20 0 EGADRP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755135794 1440758130 /nfs/dbraw/zinc/75/81/30/1440758130.db2.gz DIDSWVDGGQMPAR-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001755141867 1440760806 /nfs/dbraw/zinc/76/08/06/1440760806.db2.gz KOBSECDDPJFXLE-HKUYNNGSSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142702 1440761614 /nfs/dbraw/zinc/76/16/14/1440761614.db2.gz DQNQXLHOYRXYAO-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCCCC1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001755237239 1440788595 /nfs/dbraw/zinc/78/85/95/1440788595.db2.gz LYGCCTQDZOSPSD-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001755286400 1440802149 /nfs/dbraw/zinc/80/21/49/1440802149.db2.gz UNWMNZWUEALSLO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755368480 1440836224 /nfs/dbraw/zinc/83/62/24/1440836224.db2.gz RXDNMQFYQVDDJS-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001755407510 1440844783 /nfs/dbraw/zinc/84/47/83/1440844783.db2.gz MLICAIAMDJBFMA-RCCFBDPRSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)CC2(C)C)CCC1 ZINC001755411684 1440846623 /nfs/dbraw/zinc/84/66/23/1440846623.db2.gz GBZIUWSFWKXTBW-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414899 1440847985 /nfs/dbraw/zinc/84/79/85/1440847985.db2.gz CKYKVPGWSZIMGQ-MAUKXSAKSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001755417082 1440849479 /nfs/dbraw/zinc/84/94/79/1440849479.db2.gz YERHDKYZKNKXJC-IEBWSBKVSA-N 2 0 345.531 3.224 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001755483703 1440860558 /nfs/dbraw/zinc/86/05/58/1440860558.db2.gz SMWXKQXUNVSTTD-FOUKWCRFSA-N 2 0 349.563 3.173 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001755568963 1440876511 /nfs/dbraw/zinc/87/65/11/1440876511.db2.gz PAWXUMVNQROWIZ-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001755593855 1440882122 /nfs/dbraw/zinc/88/21/22/1440882122.db2.gz GZZHILQDYRAIRY-AWEZNQCLSA-N 2 0 330.476 3.129 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001755619106 1440890017 /nfs/dbraw/zinc/89/00/17/1440890017.db2.gz UICMJYWGZQOWFS-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@H]1C ZINC001755663683 1440893132 /nfs/dbraw/zinc/89/31/32/1440893132.db2.gz NIUSKZCQYAEPLZ-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001755707865 1440902994 /nfs/dbraw/zinc/90/29/94/1440902994.db2.gz JSDPTBIZVKBDBR-VAMGGRTRSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001755825934 1440927283 /nfs/dbraw/zinc/92/72/83/1440927283.db2.gz XBKOGSOQNGJHDZ-RTBURBONSA-N 2 0 349.563 3.480 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001755831272 1440928755 /nfs/dbraw/zinc/92/87/55/1440928755.db2.gz WKEZZOFYUANHCB-ICUWKNINSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)c1cccc(F)c1 ZINC001755837445 1440930754 /nfs/dbraw/zinc/93/07/54/1440930754.db2.gz QTXYUUVCSPUHCQ-QAPCUYQASA-N 2 0 349.494 3.103 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC001755870222 1440938826 /nfs/dbraw/zinc/93/88/26/1440938826.db2.gz YVGHRVPBDBKYDK-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](C(=O)NCC1=CC[N@H+](CCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC001755894198 1440942252 /nfs/dbraw/zinc/94/22/52/1440942252.db2.gz PAFYOIVGQKEOPI-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001755896740 1440942671 /nfs/dbraw/zinc/94/26/71/1440942671.db2.gz BYHUQVACUXYTTR-LJQANCHMSA-N 2 0 349.563 3.149 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)nc1 ZINC001164619559 719124803 /nfs/dbraw/zinc/12/48/03/719124803.db2.gz FERNKCYRKSYTNA-RCCFBDPRSA-N 2 0 346.494 3.142 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(C[NH+](C)C)CC2)nc1 ZINC001165041925 721950948 /nfs/dbraw/zinc/95/09/48/721950948.db2.gz CCCDLELDWDRWDW-LJQANCHMSA-N 2 0 330.520 3.407 20 0 EGADRP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000368470577 168360583 /nfs/dbraw/zinc/36/05/83/168360583.db2.gz NVLDAUYEJRKTBW-ZSYZGHEHSA-N 2 0 342.527 3.428 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000174539561 231235188 /nfs/dbraw/zinc/23/51/88/231235188.db2.gz GIFYULWQYOKESJ-AQNXPRMDSA-N 2 0 346.515 3.310 20 0 EGADRP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)ccc1OC(F)F ZINC000178412459 232159132 /nfs/dbraw/zinc/15/91/32/232159132.db2.gz AJFIRQRVRFPEGL-ZDUSSCGKSA-N 2 0 328.403 3.433 20 0 EGADRP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127609703 222862188 /nfs/dbraw/zinc/86/21/88/222862188.db2.gz CIBWCHHPZJVPII-DLBZAZTESA-N 2 0 335.561 3.474 20 0 EGADRP C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000184242004 235344799 /nfs/dbraw/zinc/34/47/99/235344799.db2.gz FEJVLALRGLGQCE-HKUYNNGSSA-N 2 0 343.515 3.065 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354421483 283208851 /nfs/dbraw/zinc/20/88/51/283208851.db2.gz FZKPVUUZAQOXBQ-MSOLQXFVSA-N 2 0 325.541 3.220 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000130662234 223167555 /nfs/dbraw/zinc/16/75/55/223167555.db2.gz CIHHBCGUJFOHQJ-DYESRHJHSA-N 2 0 342.483 3.320 20 0 EGADRP CCOc1c(Br)cc(C[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000415025061 309115000 /nfs/dbraw/zinc/11/50/00/309115000.db2.gz QCNHWISGOQFQKS-NSHDSACASA-N 2 0 345.281 3.073 20 0 EGADRP Fc1ccc(Br)c(F)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000230306969 242258289 /nfs/dbraw/zinc/25/82/89/242258289.db2.gz KUFKMVNPENEVJM-SNVBAGLBSA-N 2 0 345.231 3.301 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000247085758 243372612 /nfs/dbraw/zinc/37/26/12/243372612.db2.gz DGQMQFOQEMDJIG-FXAWDEMLSA-N 2 0 344.499 3.189 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000262650020 245095229 /nfs/dbraw/zinc/09/52/29/245095229.db2.gz KZWVXLNMZPBVTO-FQEVSTJZSA-N 2 0 337.467 3.272 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000263230053 245366438 /nfs/dbraw/zinc/36/64/38/245366438.db2.gz BUUPZTSBNCSODH-APWZRJJASA-N 2 0 343.515 3.195 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000264153359 246115589 /nfs/dbraw/zinc/11/55/89/246115589.db2.gz ZXIOJXMRGQATIE-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CCc1noc(C2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000376467568 168909559 /nfs/dbraw/zinc/90/95/59/168909559.db2.gz FRWSSDOEOQNBOG-UHFFFAOYSA-N 2 0 332.492 3.122 20 0 EGADRP Cc1nccn1CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377337844 169012128 /nfs/dbraw/zinc/01/21/28/169012128.db2.gz QNMJBWDYZYNRPO-NHCUHLMSSA-N 2 0 338.499 3.036 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000091553916 218021252 /nfs/dbraw/zinc/02/12/52/218021252.db2.gz XIQDAHHSQAOGHD-GOSISDBHSA-N 2 0 339.483 3.450 20 0 EGADRP COc1ccccc1COC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000092422131 218140789 /nfs/dbraw/zinc/14/07/89/218140789.db2.gz GPZDIJPARBXISY-SFHVURJKSA-N 2 0 332.488 3.161 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093397555 218221101 /nfs/dbraw/zinc/22/11/01/218221101.db2.gz JEHPOFLTOLGFLR-IBGZPJMESA-N 2 0 333.520 3.072 20 0 EGADRP COCCOc1ccccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000093688633 218242055 /nfs/dbraw/zinc/24/20/55/218242055.db2.gz AQQCOKZBKMNCOB-UHFFFAOYSA-N 2 0 334.504 3.266 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000268755767 252205786 /nfs/dbraw/zinc/20/57/86/252205786.db2.gz LPQMBZWPXBBFSD-MAODMQOUSA-N 2 0 342.458 3.359 20 0 EGADRP CC(C)[N@H+](C)CCCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268788980 252240456 /nfs/dbraw/zinc/24/04/56/252240456.db2.gz WZQMLHRRKNYOIF-UHFFFAOYSA-N 2 0 335.511 3.153 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268804068 252256773 /nfs/dbraw/zinc/25/67/73/252256773.db2.gz IGNAKQHISKVDHJ-HNAYVOBHSA-N 2 0 342.487 3.089 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000268806936 252260063 /nfs/dbraw/zinc/26/00/63/252260063.db2.gz JIVOGDJOTLAQIC-VNHYZAJKSA-N 2 0 344.425 3.221 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000268872541 252321572 /nfs/dbraw/zinc/32/15/72/252321572.db2.gz GLRADIVYUHHAPK-RLCCDNCMSA-N 2 0 331.287 3.347 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1 ZINC000112542233 220344278 /nfs/dbraw/zinc/34/42/78/220344278.db2.gz PMTNKYHZHZPSAG-HXUWFJFHSA-N 2 0 339.483 3.219 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C[C@H](C)OC)C(C)C)CC1 ZINC000353777870 285339368 /nfs/dbraw/zinc/33/93/68/285339368.db2.gz ZAWMVUQLJUNNKY-SFHVURJKSA-N 2 0 333.520 3.074 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC[N@@H+]1C ZINC000178462513 533644282 /nfs/dbraw/zinc/64/42/82/533644282.db2.gz AXRZVIOIRZWMFV-AEFFLSMTSA-N 2 0 344.499 3.342 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000237542178 141007191 /nfs/dbraw/zinc/00/71/91/141007191.db2.gz VIHIBBUZHJPDHK-CTNGQTDRSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc3c2OC(C)(C)C3)C[C@H](C)O1 ZINC000237608400 141010015 /nfs/dbraw/zinc/01/00/15/141010015.db2.gz HKHXDWJBZQLEHS-IRXDYDNUSA-N 2 0 346.515 3.379 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000246532260 141014188 /nfs/dbraw/zinc/01/41/88/141014188.db2.gz VLJHIBBRXPZRSU-ZOBUZTSGSA-N 2 0 328.460 3.160 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)N1CCC[C@@H](C)C1 ZINC000246907234 141043084 /nfs/dbraw/zinc/04/30/84/141043084.db2.gz GDBNUUKTIYPFCG-XCJLJZCSSA-N 2 0 344.547 3.002 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(OCC[NH+](C)C)c1 ZINC000246956093 141046224 /nfs/dbraw/zinc/04/62/24/141046224.db2.gz HPMRWTFYHLJKHV-QLIIJSOBSA-N 2 0 332.488 3.235 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000338100444 141094224 /nfs/dbraw/zinc/09/42/24/141094224.db2.gz NNWOXSGVTCHCJG-PMACEKPBSA-N 2 0 343.515 3.275 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000346189766 141176311 /nfs/dbraw/zinc/17/63/11/141176311.db2.gz ZHNNIHLDYZRXEW-OAHLLOKOSA-N 2 0 339.468 3.412 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000346274422 141189813 /nfs/dbraw/zinc/18/98/13/141189813.db2.gz GJHKWSRAFLHNOT-OALUTQOASA-N 2 0 343.515 3.417 20 0 EGADRP CC(=O)N1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000353456699 141300457 /nfs/dbraw/zinc/30/04/57/141300457.db2.gz WJZXAHFXWYCXLQ-UHFFFAOYSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000370635221 292108543 /nfs/dbraw/zinc/10/85/43/292108543.db2.gz OHPIFCWUJOMBHF-IFMALSPDSA-N 2 0 341.543 3.074 20 0 EGADRP Cc1ccoc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343558003 144196908 /nfs/dbraw/zinc/19/69/08/144196908.db2.gz HCHBJQVSILHINV-UHFFFAOYSA-N 2 0 341.499 3.276 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CN(Cc2ccccc2)C1 ZINC000344739462 144217807 /nfs/dbraw/zinc/21/78/07/144217807.db2.gz ULJKXAHGOIFNEL-FUHWJXTLSA-N 2 0 332.488 3.218 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000187159422 292205091 /nfs/dbraw/zinc/20/50/91/292205091.db2.gz XPIPVYQIEBEOBL-RXVVDRJESA-N 2 0 329.532 3.309 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341598399 155377279 /nfs/dbraw/zinc/37/72/79/155377279.db2.gz FYTDAWVHPMNANA-MSOLQXFVSA-N 2 0 349.544 3.002 20 0 EGADRP COc1ccc([C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)cc1 ZINC000371402374 286359768 /nfs/dbraw/zinc/35/97/68/286359768.db2.gz WTEMTEKWHACAPV-NQIIRXRSSA-N 2 0 345.531 3.150 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000236656123 153459108 /nfs/dbraw/zinc/45/91/08/153459108.db2.gz VPOXBXNFAMYSFF-MRXNPFEDSA-N 2 0 331.504 3.093 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000262007853 153764760 /nfs/dbraw/zinc/76/47/60/153764760.db2.gz SFEIJXRHTXVDOD-WBVHZDCISA-N 2 0 349.544 3.122 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000262043017 153771525 /nfs/dbraw/zinc/77/15/25/153771525.db2.gz YNDMQKDLIPSPDR-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000262965476 153877416 /nfs/dbraw/zinc/87/74/16/153877416.db2.gz LGFABCXSWIAPRO-AZUAARDMSA-N 2 0 347.503 3.253 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310097548 154138823 /nfs/dbraw/zinc/13/88/23/154138823.db2.gz AGWFLFYAZXMKCP-QFBILLFUSA-N 2 0 325.456 3.090 20 0 EGADRP C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088348 154140181 /nfs/dbraw/zinc/14/01/81/154140181.db2.gz PHIUMTMIAPRFNO-PWRODBHTSA-N 2 0 327.516 3.115 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000337410256 154338822 /nfs/dbraw/zinc/33/88/22/154338822.db2.gz WMTUXWUVKRSPGE-RYQLBKOJSA-N 2 0 334.504 3.406 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1OC(C)C ZINC000347100678 286449690 /nfs/dbraw/zinc/44/96/90/286449690.db2.gz LVLQDAHOYBFUQT-GOSISDBHSA-N 2 0 332.488 3.446 20 0 EGADRP C[N@@H+](Cc1cccc2c1NCC2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346969859 156222215 /nfs/dbraw/zinc/22/22/15/156222215.db2.gz GEZFBSNJQKEPBE-UHFFFAOYSA-N 2 0 336.483 3.398 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1 ZINC000347024011 156255015 /nfs/dbraw/zinc/25/50/15/156255015.db2.gz LZWSJQMAVVATOB-MRXNPFEDSA-N 2 0 333.520 3.311 20 0 EGADRP Cc1nn2c(CN(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(C(C)C)nc2s1 ZINC000348871092 156268881 /nfs/dbraw/zinc/26/88/81/156268881.db2.gz WDCNQAQNZIJINY-YIONKMFJSA-N 2 0 347.532 3.280 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc2cccnc21 ZINC000349065423 156340638 /nfs/dbraw/zinc/34/06/38/156340638.db2.gz ZSXFNZQPDWBFKD-FQEVSTJZSA-N 2 0 340.515 3.083 20 0 EGADRP CCOc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC(F)F ZINC000065996758 161575657 /nfs/dbraw/zinc/57/56/57/161575657.db2.gz KDUGTZZJEUGWKQ-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCSCC2)C[C@H](C)O1 ZINC000075831181 161709670 /nfs/dbraw/zinc/70/96/70/161709670.db2.gz XAMUJEJSRINCTK-HOTGVXAUSA-N 2 0 334.529 3.281 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000093688336 162023871 /nfs/dbraw/zinc/02/38/71/162023871.db2.gz LBVZKFMJAHYLRF-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1OC(F)F ZINC000126225000 162296659 /nfs/dbraw/zinc/29/66/59/162296659.db2.gz LDCYJJRBGYKYOR-GFCCVEGCSA-N 2 0 328.403 3.289 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnn1C ZINC000248419420 163002884 /nfs/dbraw/zinc/00/28/84/163002884.db2.gz VBLQCBHXVSXCTI-GDVKCFTOSA-N 2 0 338.499 3.290 20 0 EGADRP COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248456140 163006732 /nfs/dbraw/zinc/00/67/32/163006732.db2.gz SAPHORNLOOKWMK-QFBILLFUSA-N 2 0 340.467 3.113 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000249116882 163057226 /nfs/dbraw/zinc/05/72/26/163057226.db2.gz SKFMVNCUALOYIL-WTGUMLROSA-N 2 0 326.484 3.056 20 0 EGADRP c1ncn(-c2ccc(CN(CCC[NH+]3CCCCC3)C3CC3)cc2)n1 ZINC000338599387 163286524 /nfs/dbraw/zinc/28/65/24/163286524.db2.gz OWKFYUCXTUSEEU-UHFFFAOYSA-N 2 0 339.487 3.108 20 0 EGADRP Cc1cc(C)cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000342420344 163874582 /nfs/dbraw/zinc/87/45/82/163874582.db2.gz KOVUWJFVAKNEIZ-UHFFFAOYSA-N 2 0 327.472 3.319 20 0 EGADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H]1C[C@@H]1c1ccccc1 ZINC000343970470 164074540 /nfs/dbraw/zinc/07/45/40/164074540.db2.gz CJVHEGKMAYZSGS-PWIZWCRZSA-N 2 0 339.483 3.304 20 0 EGADRP CN(CCC[N@H+](C)Cc1cccc(C(F)(F)F)c1)CC[NH+](C)C ZINC000344048974 164091050 /nfs/dbraw/zinc/09/10/50/164091050.db2.gz ZKAIYNOZNYOTPG-UHFFFAOYSA-N 2 0 331.426 3.021 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCC2 ZINC000344075285 164097072 /nfs/dbraw/zinc/09/70/72/164097072.db2.gz MZPJVGJYUFHLDJ-VQTJNVASSA-N 2 0 346.515 3.454 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000344600953 164197095 /nfs/dbraw/zinc/19/70/95/164197095.db2.gz JCZOOXLMYUZFIE-WMZOPIPTSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000186565342 287047688 /nfs/dbraw/zinc/04/76/88/287047688.db2.gz HHOBIVANNIPNJT-LSDHHAIUSA-N 2 0 343.437 3.382 20 0 EGADRP Cc1ccc(NC(=O)CN2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000346488616 164385606 /nfs/dbraw/zinc/38/56/06/164385606.db2.gz NVLWXBSDPMOUGU-MRXNPFEDSA-N 2 0 345.830 3.135 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000350157082 165013763 /nfs/dbraw/zinc/01/37/63/165013763.db2.gz RBJAOCJNBKAJGT-QRVBRYPASA-N 2 0 326.525 3.014 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350185892 165017507 /nfs/dbraw/zinc/01/75/07/165017507.db2.gz YKOIABTXJZPGJK-UHFFFAOYSA-N 2 0 328.403 3.070 20 0 EGADRP CCCc1nc(CN2CC[C@@H](OCC[NH+](CC)CC)C2)cs1 ZINC000350257135 165022310 /nfs/dbraw/zinc/02/23/10/165022310.db2.gz SPMCLGKTDZQDEW-MRXNPFEDSA-N 2 0 325.522 3.028 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000352051536 165211065 /nfs/dbraw/zinc/21/10/65/165211065.db2.gz CMXXUCNAWMVDPO-IHPCNDPISA-N 2 0 345.531 3.322 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000352143480 165256586 /nfs/dbraw/zinc/25/65/86/165256586.db2.gz ZNMAZIZWNMTWOE-HZPDHXFCSA-N 2 0 337.533 3.168 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000355196169 166129246 /nfs/dbraw/zinc/12/92/46/166129246.db2.gz DGIZAMHOTQPNAU-AWEZNQCLSA-N 2 0 345.409 3.332 20 0 EGADRP OC[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000355356639 166172690 /nfs/dbraw/zinc/17/26/90/166172690.db2.gz YHQMZKLRTLQKEN-JOCHJYFZSA-N 2 0 347.462 3.442 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1)CC1CC1 ZINC000355899843 166341569 /nfs/dbraw/zinc/34/15/69/166341569.db2.gz IUPSFYDQEHHILL-UHFFFAOYSA-N 2 0 347.503 3.135 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC)[NH+](C)C ZINC000359164524 167085676 /nfs/dbraw/zinc/08/56/76/167085676.db2.gz IGNMNMKVFAZHEJ-IRXDYDNUSA-N 2 0 339.911 3.179 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000359176575 167088804 /nfs/dbraw/zinc/08/88/04/167088804.db2.gz OKKZWSKUTMGBEZ-APWZRJJASA-N 2 0 331.504 3.017 20 0 EGADRP COc1ccc(Br)cc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359191956 167092177 /nfs/dbraw/zinc/09/21/77/167092177.db2.gz PIIUINATFJZBRQ-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359315179 167123034 /nfs/dbraw/zinc/12/30/34/167123034.db2.gz VUYDUGKJAPGKMR-MNEFBYGVSA-N 2 0 335.451 3.151 20 0 EGADRP Cn1cc(CN(CCC[NH3+])Cc2ccccc2)c(-c2ccccc2)n1 ZINC000359455467 167160900 /nfs/dbraw/zinc/16/09/00/167160900.db2.gz JGKRVXYFTWOBPZ-UHFFFAOYSA-N 2 0 334.467 3.438 20 0 EGADRP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360554345 167356481 /nfs/dbraw/zinc/35/64/81/167356481.db2.gz VZMLJPCKJVIMPQ-MRXNPFEDSA-N 2 0 328.378 3.160 20 0 EGADRP CCN(C(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000367201697 168192221 /nfs/dbraw/zinc/19/22/21/168192221.db2.gz UVBWXUUEMNYAPT-SFHVURJKSA-N 2 0 343.515 3.236 20 0 EGADRP Cc1cnn(C)c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367299127 168203441 /nfs/dbraw/zinc/20/34/41/168203441.db2.gz FTGMCSNPTQAGIL-UHFFFAOYSA-N 2 0 338.499 3.217 20 0 EGADRP COCCC[NH+]1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000368025678 168299737 /nfs/dbraw/zinc/29/97/37/168299737.db2.gz XXBVFGXEUMOHGZ-UHFFFAOYSA-N 2 0 338.442 3.301 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000159158669 225159572 /nfs/dbraw/zinc/15/95/72/225159572.db2.gz LZVGLAPDMJXPHN-SJORKVTESA-N 2 0 334.504 3.278 20 0 EGADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC000165185528 226114532 /nfs/dbraw/zinc/11/45/32/226114532.db2.gz NHHXUIJYYZTFFJ-MRXNPFEDSA-N 2 0 330.476 3.084 20 0 EGADRP CC(C)[NH+](CCNC1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000121713114 221912132 /nfs/dbraw/zinc/91/21/32/221912132.db2.gz AZHUAVFQONWGPL-UHFFFAOYSA-N 2 0 331.548 3.402 20 0 EGADRP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000123221162 222237813 /nfs/dbraw/zinc/23/78/13/222237813.db2.gz WUSCASLFSLCYSL-AQNXPRMDSA-N 2 0 330.516 3.395 20 0 EGADRP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123239352 222239930 /nfs/dbraw/zinc/23/99/30/222239930.db2.gz HYBFITGECYEPRO-INIZCTEOSA-N 2 0 347.503 3.076 20 0 EGADRP C[NH+](C)CCCC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000123578435 222299362 /nfs/dbraw/zinc/29/93/62/222299362.db2.gz SKFPBYDXVVBJBL-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cc(OCC[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1C(C)C ZINC000174725686 265067717 /nfs/dbraw/zinc/06/77/17/265067717.db2.gz CUFRLGJBODPFGR-UHFFFAOYSA-N 2 0 347.547 3.067 20 0 EGADRP Cc1ncc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000177490843 265258542 /nfs/dbraw/zinc/25/85/42/265258542.db2.gz JBVDNFXSWRDNJV-GJZGRUSLSA-N 2 0 337.533 3.163 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178693962 265335896 /nfs/dbraw/zinc/33/58/96/265335896.db2.gz LDAHZKTWZBQSJF-FXAWDEMLSA-N 2 0 329.532 3.272 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2(C[NH3+])CCCC2)c1 ZINC000178850009 265345258 /nfs/dbraw/zinc/34/52/58/265345258.db2.gz VVECZNHBIFUPTE-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP CC[N@H+](CCCCn1ccnc1C)C[C@H]1COc2ccccc2O1 ZINC000179039591 265357008 /nfs/dbraw/zinc/35/70/08/265357008.db2.gz BMBCGZXULLQJCJ-KRWDZBQOSA-N 2 0 329.444 3.134 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186566346 265537865 /nfs/dbraw/zinc/53/78/65/265537865.db2.gz BVRAVBVPOCAHCF-AZUAARDMSA-N 2 0 329.532 3.296 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCCCc2ccccc2)CC1 ZINC000191452006 265905196 /nfs/dbraw/zinc/90/51/96/265905196.db2.gz DGJWNCQIQYDRRT-UHFFFAOYSA-N 2 0 331.548 3.357 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000236726774 266211907 /nfs/dbraw/zinc/21/19/07/266211907.db2.gz MLJZAHPCUBGMIV-INIZCTEOSA-N 2 0 339.524 3.238 20 0 EGADRP [NH3+]CC1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCCC1 ZINC000238056296 266254476 /nfs/dbraw/zinc/25/44/76/266254476.db2.gz WKOXTTBMEVMVRV-UHFFFAOYSA-N 2 0 343.515 3.198 20 0 EGADRP CSc1cc2c(cc1C[NH2+]CC1(C)CC[NH+](C)CC1)OCCO2 ZINC000272590715 266877718 /nfs/dbraw/zinc/87/77/18/266877718.db2.gz QYSUHEOEWZXNLV-UHFFFAOYSA-N 2 0 336.501 3.001 20 0 EGADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272679694 266896507 /nfs/dbraw/zinc/89/65/07/266896507.db2.gz MSIKTZGLTJFNHN-FFZBTMFNSA-N 2 0 330.516 3.284 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCCc3ccccc3)CC2)CC1 ZINC000274791583 267287160 /nfs/dbraw/zinc/28/71/60/267287160.db2.gz CBMFJDPHGUSYNE-UHFFFAOYSA-N 2 0 343.559 3.500 20 0 EGADRP C[C@H]([NH2+]CC1(CCO)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274948778 267310239 /nfs/dbraw/zinc/31/02/39/267310239.db2.gz UUJJRKYXKSEKEL-ICSRJNTNSA-N 2 0 330.516 3.429 20 0 EGADRP COCCC1(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CCCCC1 ZINC000275409780 267357508 /nfs/dbraw/zinc/35/75/08/267357508.db2.gz ARUXGWHABJIIRV-UHFFFAOYSA-N 2 0 349.519 3.099 20 0 EGADRP C[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000275562464 267381315 /nfs/dbraw/zinc/38/13/15/267381315.db2.gz BHZYQBWIWDHVMM-KRWDZBQOSA-N 2 0 346.519 3.034 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278450961 268016142 /nfs/dbraw/zinc/01/61/42/268016142.db2.gz LNLLZFNGSGFSKG-AWEZNQCLSA-N 2 0 333.451 3.007 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCCO2 ZINC000278466096 268020056 /nfs/dbraw/zinc/02/00/56/268020056.db2.gz NFFGQEYNSPPOIT-IBGZPJMESA-N 2 0 330.472 3.373 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)N1CC[NH+](C)CC1 ZINC000127842834 274225255 /nfs/dbraw/zinc/22/52/55/274225255.db2.gz RLBZBLWEZBREFY-BLLLJJGKSA-N 2 0 342.314 3.206 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110822676 275181648 /nfs/dbraw/zinc/18/16/48/275181648.db2.gz SMZDRZJDVFCHOO-CXAGYDPISA-N 2 0 337.305 3.238 20 0 EGADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000194895547 275229432 /nfs/dbraw/zinc/22/94/32/275229432.db2.gz BTVXBAATJQNSAZ-UZLBHIALSA-N 2 0 344.499 3.163 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000263280380 275233372 /nfs/dbraw/zinc/23/33/72/275233372.db2.gz UEFHIDIRNHUHGA-TZIWHRDSSA-N 2 0 343.515 3.196 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1F ZINC000278379591 275255881 /nfs/dbraw/zinc/25/58/81/275255881.db2.gz LHWWGOSGALOESK-UHFFFAOYSA-N 2 0 346.446 3.455 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]C[C@@H]1CCSC1 ZINC000278845890 275280392 /nfs/dbraw/zinc/28/03/92/275280392.db2.gz WLVVRONMOQKTQN-SFHVURJKSA-N 2 0 334.529 3.046 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)c2ccccc21 ZINC000278852362 275280886 /nfs/dbraw/zinc/28/08/86/275280886.db2.gz VSBRRAMFSDGBMM-QMMLZNLJSA-N 2 0 329.532 3.487 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)o1 ZINC000278879712 275283787 /nfs/dbraw/zinc/28/37/87/275283787.db2.gz XSBZNFDQDVQAOP-OAHLLOKOSA-N 2 0 343.471 3.039 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000280274050 275430524 /nfs/dbraw/zinc/43/05/24/275430524.db2.gz MECFJPBUCXANMF-HOTGVXAUSA-N 2 0 337.939 3.448 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000346274443 275940227 /nfs/dbraw/zinc/94/02/27/275940227.db2.gz GJHKWSRAFLHNOT-RTBURBONSA-N 2 0 343.515 3.417 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000350674975 276044164 /nfs/dbraw/zinc/04/41/64/276044164.db2.gz FOKQEDHSCGJQCX-OALUTQOASA-N 2 0 331.504 3.106 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000342693737 276063422 /nfs/dbraw/zinc/06/34/22/276063422.db2.gz MVNGMTLIGJDDKC-IZBJGVDFSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287243665 276100206 /nfs/dbraw/zinc/10/02/06/276100206.db2.gz YYNFKTXHDKNCON-BVYCBKJFSA-N 2 0 338.495 3.090 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287318990 276107675 /nfs/dbraw/zinc/10/76/75/276107675.db2.gz DHBDAMRPRGZFBX-HZPDHXFCSA-N 2 0 330.394 3.338 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1OC ZINC000287603259 276138445 /nfs/dbraw/zinc/13/84/45/276138445.db2.gz SEAZKDQIPATDLN-HNNXBMFYSA-N 2 0 346.515 3.407 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000287631239 276142090 /nfs/dbraw/zinc/14/20/90/276142090.db2.gz KJFGSZVRIPDVSI-CVEARBPZSA-N 2 0 330.394 3.208 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000154226037 276195058 /nfs/dbraw/zinc/19/50/58/276195058.db2.gz GEIADXYFBDTSTB-JXFKEZNVSA-N 2 0 333.495 3.066 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000337382718 276196959 /nfs/dbraw/zinc/19/69/59/276196959.db2.gz FLSOIWOAOIDQIW-HXUWFJFHSA-N 2 0 327.516 3.246 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000288455554 276216137 /nfs/dbraw/zinc/21/61/37/276216137.db2.gz PQYRKULZPIWEOA-XLIONFOSSA-N 2 0 343.515 3.227 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000288671242 276240440 /nfs/dbraw/zinc/24/04/40/276240440.db2.gz WJHINUGPYYGFTN-UHFFFAOYSA-N 2 0 333.863 3.355 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc21 ZINC000289185113 276301502 /nfs/dbraw/zinc/30/15/02/276301502.db2.gz INJMALMQGIYUFQ-OXQOHEQNSA-N 2 0 336.483 3.172 20 0 EGADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1O ZINC000289319465 276321234 /nfs/dbraw/zinc/32/12/34/276321234.db2.gz SXCDGEJFMBSAQT-OAHLLOKOSA-N 2 0 336.476 3.011 20 0 EGADRP C[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000289332905 276323461 /nfs/dbraw/zinc/32/34/61/276323461.db2.gz VEFIYLNRVZWGSI-CQSZACIVSA-N 2 0 344.421 3.245 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000303240877 276337818 /nfs/dbraw/zinc/33/78/18/276337818.db2.gz JOGBCOHQMNIEQH-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1cccc(Cl)c1 ZINC000289556609 276357428 /nfs/dbraw/zinc/35/74/28/276357428.db2.gz YCUFSQYNXMMRAK-QGZVFWFLSA-N 2 0 349.950 3.403 20 0 EGADRP Cc1ccc2ncc(C[NH2+]Cc3cc(C)nc(N4CCCC4)c3)n2c1 ZINC000289805959 276398092 /nfs/dbraw/zinc/39/80/92/276398092.db2.gz MPQCXEVRLHMEPU-UHFFFAOYSA-N 2 0 335.455 3.236 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000290215242 276465248 /nfs/dbraw/zinc/46/52/48/276465248.db2.gz HOQLTEAIECIQAP-HNAYVOBHSA-N 2 0 325.456 3.360 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358054901 276511340 /nfs/dbraw/zinc/51/13/40/276511340.db2.gz AKMHEWVVLOVKBS-HQRMLTQVSA-N 2 0 345.531 3.282 20 0 EGADRP COc1ccccc1C[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178034306 277468174 /nfs/dbraw/zinc/46/81/74/277468174.db2.gz DNYAXPBYUZKVRQ-RCCFBDPRSA-N 2 0 334.504 3.105 20 0 EGADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360943578 277702172 /nfs/dbraw/zinc/70/21/72/277702172.db2.gz WBUONKOOMKJLFI-QZTJIDSGSA-N 2 0 330.520 3.008 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1Cl ZINC000363786250 278274117 /nfs/dbraw/zinc/27/41/17/278274117.db2.gz QUTUYZVBQKLIGL-DZGCQCFKSA-N 2 0 339.886 3.298 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)CCO2 ZINC000181411996 278336214 /nfs/dbraw/zinc/33/62/14/278336214.db2.gz KGDDLVGSPBJYSN-XPGWFJOJSA-N 2 0 344.499 3.040 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)CC1 ZINC000236591546 278708787 /nfs/dbraw/zinc/70/87/87/278708787.db2.gz YXSXIGBQLLJGEF-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000354389066 279146937 /nfs/dbraw/zinc/14/69/37/279146937.db2.gz WBZGKSXMSPTZOG-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)cc1)C(C)C ZINC000343827840 279235677 /nfs/dbraw/zinc/23/56/77/279235677.db2.gz LUGQAXVFXFOAPC-UZLBHIALSA-N 2 0 343.515 3.129 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000186567772 279263953 /nfs/dbraw/zinc/26/39/53/279263953.db2.gz VRRSOLPRVDMMSD-HUUCEWRRSA-N 2 0 343.437 3.382 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000354266105 279266795 /nfs/dbraw/zinc/26/67/95/279266795.db2.gz MPNIIGATFJBCLP-WOJBJXKFSA-N 2 0 343.515 3.123 20 0 EGADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374323692 288252760 /nfs/dbraw/zinc/25/27/60/288252760.db2.gz JCEYVCMOPFORHG-CZAAIQMYSA-N 2 0 345.506 3.161 20 0 EGADRP CN(C(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000263262151 288907179 /nfs/dbraw/zinc/90/71/79/288907179.db2.gz RBEZJZQYSDFCGM-TZIWHRDSSA-N 2 0 343.515 3.017 20 0 EGADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000246128822 289117980 /nfs/dbraw/zinc/11/79/80/289117980.db2.gz DYHNPNRKSAQVJZ-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000367625240 290216310 /nfs/dbraw/zinc/21/63/10/290216310.db2.gz XLHCVMUNXABDJB-BZSNNMDCSA-N 2 0 349.519 3.016 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000261605444 295121526 /nfs/dbraw/zinc/12/15/26/295121526.db2.gz CNDZGUWMBPKXCY-OKZBNKHCSA-N 2 0 332.488 3.147 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000178035612 295236663 /nfs/dbraw/zinc/23/66/63/295236663.db2.gz GGBUYIMLULWDJE-JYJNAYRXSA-N 2 0 338.467 3.374 20 0 EGADRP C[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000163623440 298301901 /nfs/dbraw/zinc/30/19/01/298301901.db2.gz SCKZFFKQGKLOSB-WBVHZDCISA-N 2 0 349.544 3.027 20 0 EGADRP CCC[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000121720558 307522492 /nfs/dbraw/zinc/52/24/92/307522492.db2.gz PLLZWRRVZRLNOX-UHFFFAOYSA-N 2 0 329.532 3.158 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+]1CCCCCC1 ZINC000128988126 307608287 /nfs/dbraw/zinc/60/82/87/307608287.db2.gz KEVAOKNJFSGPPJ-XEVCZEQESA-N 2 0 349.563 3.410 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)c1 ZINC000414084546 309060061 /nfs/dbraw/zinc/06/00/61/309060061.db2.gz FLIMNWIMDNIOLS-RYGJVYDSSA-N 2 0 332.488 3.032 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000414168693 309064463 /nfs/dbraw/zinc/06/44/63/309064463.db2.gz APYRVIAVZWZXCB-HOTGVXAUSA-N 2 0 348.487 3.464 20 0 EGADRP CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000414229950 309067725 /nfs/dbraw/zinc/06/77/25/309067725.db2.gz FWJLTHGNYFGMNK-FTRWYGJKSA-N 2 0 334.504 3.481 20 0 EGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCCC1 ZINC000158536725 307860442 /nfs/dbraw/zinc/86/04/42/307860442.db2.gz QLAVJUMYBZYGRA-IBGZPJMESA-N 2 0 330.520 3.282 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](Cc2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000162844653 307916935 /nfs/dbraw/zinc/91/69/35/307916935.db2.gz MUCRCGFLBBIZLU-OPYAIIAOSA-N 2 0 330.516 3.487 20 0 EGADRP CCC[C@@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414330781 309073381 /nfs/dbraw/zinc/07/33/81/309073381.db2.gz SPHXUTPWGZHREO-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000166675438 307930862 /nfs/dbraw/zinc/93/08/62/307930862.db2.gz XAFYDCQHEDXSCO-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000248389101 308001662 /nfs/dbraw/zinc/00/16/62/308001662.db2.gz RRJFQWNFPBWRFY-MJGOQNOKSA-N 2 0 334.479 3.191 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547220 308005028 /nfs/dbraw/zinc/00/50/28/308005028.db2.gz GAYHQLPOQVPIQG-DZFGPLHGSA-N 3 0 329.532 3.217 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248600571 308006669 /nfs/dbraw/zinc/00/66/69/308006669.db2.gz UYQSOCBRYBRFAF-DSKINZAPSA-N 2 0 330.516 3.223 20 0 EGADRP FC(F)COCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248889656 308014421 /nfs/dbraw/zinc/01/44/21/308014421.db2.gz AQCAAVUVAKLEGV-OKZBNKHCSA-N 2 0 338.442 3.158 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000249134586 308019994 /nfs/dbraw/zinc/01/99/94/308019994.db2.gz UDKBVJMWXADLCX-HLAWJBBLSA-N 2 0 329.532 3.013 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000262663538 308065015 /nfs/dbraw/zinc/06/50/15/308065015.db2.gz HTDAKOWFQZINSI-KSZLIROESA-N 2 0 337.552 3.029 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@H](C[NH+](C)C)C3)c2cc1OCC ZINC000292967636 308084928 /nfs/dbraw/zinc/08/49/28/308084928.db2.gz DJORIDJDNSATQU-OAHLLOKOSA-N 2 0 343.471 3.420 20 0 EGADRP COc1ccccc1-n1nccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292977638 308086286 /nfs/dbraw/zinc/08/62/86/308086286.db2.gz KUGVSNOTMJILFV-UHFFFAOYSA-N 2 0 342.487 3.237 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000293116871 308100685 /nfs/dbraw/zinc/10/06/85/308100685.db2.gz XRQWEOYTWBCWDI-UHFFFAOYSA-N 2 0 336.430 3.280 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293770754 308160380 /nfs/dbraw/zinc/16/03/80/308160380.db2.gz SBWGPYDGIYZGPB-MRXNPFEDSA-N 2 0 335.467 3.399 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C[NH+]1CCCC1 ZINC000293850125 308167822 /nfs/dbraw/zinc/16/78/22/308167822.db2.gz UDROXFJEXHIQQC-SJORKVTESA-N 2 0 345.487 3.416 20 0 EGADRP CCn1nccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293933398 308175482 /nfs/dbraw/zinc/17/54/82/308175482.db2.gz NQRAMGJRFUHKKC-UHFFFAOYSA-N 2 0 338.499 3.391 20 0 EGADRP C[C@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000294247247 308203444 /nfs/dbraw/zinc/20/34/44/308203444.db2.gz PSIQHNMKZWFVFT-IBGZPJMESA-N 2 0 345.874 3.201 20 0 EGADRP CN(c1ccccc1C[NH+]1CCC(CF)CC1)C1CC[NH+](C)CC1 ZINC000295033228 308283842 /nfs/dbraw/zinc/28/38/42/308283842.db2.gz LWSQRKZBEFWJFT-UHFFFAOYSA-N 2 0 333.495 3.399 20 0 EGADRP CS[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000295049983 308285495 /nfs/dbraw/zinc/28/54/95/308285495.db2.gz NJIIHQOMWDIHGC-SFHVURJKSA-N 2 0 333.545 3.154 20 0 EGADRP CN(c1ccccc1C[NH2+][C@@H]1C[C@H]1c1ccco1)C1CC[NH+](C)CC1 ZINC000414581019 309090604 /nfs/dbraw/zinc/09/06/04/309090604.db2.gz KCCGLWXZBLRIJI-RTBURBONSA-N 2 0 339.483 3.456 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000295200979 308302330 /nfs/dbraw/zinc/30/23/30/308302330.db2.gz PBINUYAAMGJKIS-BJLQDIEVSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)O1 ZINC000295664165 308348659 /nfs/dbraw/zinc/34/86/59/308348659.db2.gz JPEJNZHWCDVPCE-LQWHRVPQSA-N 2 0 346.515 3.213 20 0 EGADRP COc1cc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c(SC)cc1OC ZINC000414715974 309097021 /nfs/dbraw/zinc/09/70/21/309097021.db2.gz WJJJDCUYAUDFBR-KGLIPLIRSA-N 2 0 338.517 3.246 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718496 309097185 /nfs/dbraw/zinc/09/71/85/309097185.db2.gz ZECHAWQJWIRZHV-PKOBYXMFSA-N 2 0 343.515 3.047 20 0 EGADRP C[C@H]1C[C@H](C[N@@H+]2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414673107 309094877 /nfs/dbraw/zinc/09/48/77/309094877.db2.gz QGJDEVORNRXPCH-PZJWPPBQSA-N 2 0 329.532 3.015 20 0 EGADRP C[C@H](c1ccccc1Cl)[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414675268 309094976 /nfs/dbraw/zinc/09/49/76/309094976.db2.gz LUPIUXZDRIVIRO-CABCVRRESA-N 2 0 349.906 3.063 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000414677542 309095037 /nfs/dbraw/zinc/09/50/37/309095037.db2.gz WPCCCTBJHJNEAW-RCCFBDPRSA-N 2 0 332.488 3.433 20 0 EGADRP C[C@H]1C[C@H](C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414695573 309095791 /nfs/dbraw/zinc/09/57/91/309095791.db2.gz PCZSSELIUOBRPX-GHTZIAJQSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@@H]([N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000414736352 309098008 /nfs/dbraw/zinc/09/80/08/309098008.db2.gz GOHSJJMNYPAYFP-MJGOQNOKSA-N 2 0 345.531 3.121 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414743518 309098467 /nfs/dbraw/zinc/09/84/67/309098467.db2.gz HGMHKQYQYZDKDC-WBVHZDCISA-N 2 0 326.488 3.370 20 0 EGADRP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772006 309100014 /nfs/dbraw/zinc/10/00/14/309100014.db2.gz BBMCACYQOBHPCD-UONOGXRCSA-N 2 0 332.879 3.048 20 0 EGADRP OCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000297358162 308526058 /nfs/dbraw/zinc/52/60/58/308526058.db2.gz GNXZCIMUZHEVIS-LJQANCHMSA-N 2 0 345.874 3.417 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](CCCOc2ccccc2)C2CCOCC2)CC[NH2+]1 ZINC000414754581 309098946 /nfs/dbraw/zinc/09/89/46/309098946.db2.gz GHTNLNKLZCBIGM-RTBURBONSA-N 2 0 346.515 3.325 20 0 EGADRP FC(F)(F)COc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771762 309100059 /nfs/dbraw/zinc/10/00/59/309100059.db2.gz RNXXTIBDFZYRHN-OKILXGFUSA-N 2 0 328.378 3.059 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000414783428 309100757 /nfs/dbraw/zinc/10/07/57/309100757.db2.gz ZMQFAYANGIITRK-CGXNFDGLSA-N 2 0 328.500 3.325 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000414787347 309101169 /nfs/dbraw/zinc/10/11/69/309101169.db2.gz LRECYXXZNGKEIO-CTNGQTDRSA-N 2 0 337.467 3.077 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000414802387 309102353 /nfs/dbraw/zinc/10/23/53/309102353.db2.gz MUMBTZDNSHJARQ-KGLIPLIRSA-N 2 0 328.403 3.294 20 0 EGADRP COC(=O)C1CC[NH+](CCCNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000298654991 308631009 /nfs/dbraw/zinc/63/10/09/308631009.db2.gz AMKXWEZLYPRUBE-UHFFFAOYSA-N 2 0 341.455 3.230 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc2)cs1 ZINC000414824381 309103961 /nfs/dbraw/zinc/10/39/61/309103961.db2.gz FKRBEEVBNHSWRQ-MRXNPFEDSA-N 2 0 331.485 3.120 20 0 EGADRP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414829278 309104275 /nfs/dbraw/zinc/10/42/75/309104275.db2.gz KOIPMLYGAKLLOH-MRXNPFEDSA-N 2 0 340.467 3.460 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000414834783 309104556 /nfs/dbraw/zinc/10/45/56/309104556.db2.gz HRZNDNBECNJVHS-QGZVFWFLSA-N 2 0 334.467 3.484 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000309947661 308763115 /nfs/dbraw/zinc/76/31/15/308763115.db2.gz MLQODRLNCDZRNQ-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414848093 309105322 /nfs/dbraw/zinc/10/53/22/309105322.db2.gz WRLIQQSFKIQZLV-STQMWFEESA-N 2 0 343.284 3.499 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414846880 309105343 /nfs/dbraw/zinc/10/53/43/309105343.db2.gz FIIWOOURPHQCGM-GXTWGEPZSA-N 2 0 328.403 3.164 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)ccc2n1 ZINC000333094273 308849801 /nfs/dbraw/zinc/84/98/01/308849801.db2.gz CXQHKTONMTUMPJ-CTNGQTDRSA-N 2 0 339.483 3.262 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333191002 308852496 /nfs/dbraw/zinc/85/24/96/308852496.db2.gz UZWQIOIXEVKJAU-JKSUJKDBSA-N 2 0 337.533 3.159 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000360964490 308895927 /nfs/dbraw/zinc/89/59/27/308895927.db2.gz SJOITFNLJXFWFW-APWZRJJASA-N 2 0 349.519 3.110 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411385945 308936559 /nfs/dbraw/zinc/93/65/59/308936559.db2.gz KLLLZWJPKVVUMV-SFHVURJKSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414859935 309105984 /nfs/dbraw/zinc/10/59/84/309105984.db2.gz UZYHUZUTBJVXGW-DGCLKSJQSA-N 2 0 329.257 3.108 20 0 EGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000414892018 309107767 /nfs/dbraw/zinc/10/77/67/309107767.db2.gz IUORHKGRXZQEJE-AWEZNQCLSA-N 2 0 330.476 3.141 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]CC[C@H]3CCC[NH2+]3)cc2)cs1 ZINC000414912450 309108903 /nfs/dbraw/zinc/10/89/03/309108903.db2.gz YDMUOCCAGDJVAR-MRXNPFEDSA-N 2 0 331.485 3.262 20 0 EGADRP [NH3+]CCCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414913478 309108945 /nfs/dbraw/zinc/10/89/45/309108945.db2.gz VWDSNFUGBPNYRB-UHFFFAOYSA-N 2 0 331.847 3.421 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414969696 309112218 /nfs/dbraw/zinc/11/22/18/309112218.db2.gz JHBSQAVTTKFACJ-HUUCEWRRSA-N 2 0 337.895 3.487 20 0 EGADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CC[NH2+]CC1 ZINC000414979700 309112640 /nfs/dbraw/zinc/11/26/40/309112640.db2.gz VELOJPNXEVHMNB-UXHICEINSA-N 2 0 330.516 3.394 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000414987759 309112908 /nfs/dbraw/zinc/11/29/08/309112908.db2.gz DYMXGCPCPVWCSE-RBUKOAKNSA-N 2 0 325.456 3.268 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000415013667 309114342 /nfs/dbraw/zinc/11/43/42/309114342.db2.gz YVFZVEWAUNIYLZ-TZMCWYRMSA-N 2 0 346.393 3.243 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415013765 309114353 /nfs/dbraw/zinc/11/43/53/309114353.db2.gz KXTVWYGDYCLEPZ-LBPRGKRZSA-N 2 0 336.430 3.374 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000415024854 309114939 /nfs/dbraw/zinc/11/49/39/309114939.db2.gz PTNXMIXVGXCMSY-NEPJUHHUSA-N 2 0 331.382 3.140 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415029099 309115301 /nfs/dbraw/zinc/11/53/01/309115301.db2.gz DGSUMJPMDWFPKA-MFKMUULPSA-N 2 0 329.307 3.388 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000415031146 309115476 /nfs/dbraw/zinc/11/54/76/309115476.db2.gz GNHKCAFXXWQVPV-ZFWWWQNUSA-N 2 0 339.886 3.161 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@@H](C)C[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066773 309117920 /nfs/dbraw/zinc/11/79/20/309117920.db2.gz AXGQDOMOMXYWSC-ZWKOTPCHSA-N 2 0 330.520 3.079 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415076511 309118509 /nfs/dbraw/zinc/11/85/09/309118509.db2.gz CSABBXFKQSZFGA-BMQTXXJKSA-N 2 0 346.515 3.290 20 0 EGADRP Brc1cccc(C2(C[NH2+]C[C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC000415079361 309118874 /nfs/dbraw/zinc/11/88/74/309118874.db2.gz JZDBJZOBDGMBEG-CQSZACIVSA-N 2 0 337.305 3.460 20 0 EGADRP Fc1ccc(CN2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)c(Cl)c1 ZINC000415089836 309119524 /nfs/dbraw/zinc/11/95/24/309119524.db2.gz YFXXQFMFGDNBFR-DLBZAZTESA-N 2 0 339.886 3.175 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000415094550 309119946 /nfs/dbraw/zinc/11/99/46/309119946.db2.gz KIAADGJTJNSRFO-XJKCOSOUSA-N 2 0 338.293 3.369 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000415100739 309120489 /nfs/dbraw/zinc/12/04/89/309120489.db2.gz HETMYZHSIKDJBY-JHJVBQTASA-N 2 0 334.851 3.429 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000415110560 309121035 /nfs/dbraw/zinc/12/10/35/309121035.db2.gz POCPEVLXBARSAI-HXKNPMGXSA-N 2 0 336.426 3.196 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000415112398 309121171 /nfs/dbraw/zinc/12/11/71/309121171.db2.gz SDJATYZFGDJDDD-SFTDATJTSA-N 2 0 346.515 3.454 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C1 ZINC000415117191 309121445 /nfs/dbraw/zinc/12/14/45/309121445.db2.gz BWWUHFBLIAVKMS-WBVHZDCISA-N 2 0 340.414 3.006 20 0 EGADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415121153 309121807 /nfs/dbraw/zinc/12/18/07/309121807.db2.gz HMDBJHWKIJQRJR-SJLPKXTDSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415124007 309121993 /nfs/dbraw/zinc/12/19/93/309121993.db2.gz LYKCLEHYJQHBKF-TZIWHRDSSA-N 2 0 346.515 3.440 20 0 EGADRP NC1(C[NH2+]Cc2sccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000415124532 309122078 /nfs/dbraw/zinc/12/20/78/309122078.db2.gz CNKGBSNHZHQNOI-UHFFFAOYSA-N 2 0 349.931 3.485 20 0 EGADRP NC1(C[NH2+]Cc2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126994 309122321 /nfs/dbraw/zinc/12/23/21/309122321.db2.gz HNPTXPCMYGYGFL-UHFFFAOYSA-N 2 0 345.437 3.048 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OC(F)F)CC2)C1 ZINC000415129401 309122496 /nfs/dbraw/zinc/12/24/96/309122496.db2.gz USFVMFROTDUNQX-DOTOQJQBSA-N 2 0 340.414 3.006 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415131246 309122642 /nfs/dbraw/zinc/12/26/42/309122642.db2.gz YRQFLPIELMGLJI-ICSRJNTNSA-N 2 0 332.488 3.194 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000415131465 309122653 /nfs/dbraw/zinc/12/26/53/309122653.db2.gz SHXHATFTNKFWJG-DLBZAZTESA-N 2 0 326.843 3.197 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415140390 309123388 /nfs/dbraw/zinc/12/33/88/309123388.db2.gz ZBORWMMZXDNDIU-UHFFFAOYSA-N 2 0 337.511 3.387 20 0 EGADRP CC(C)[C@@H]([NH3+])CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415399024 309132780 /nfs/dbraw/zinc/13/27/80/309132780.db2.gz XTVOHYOHTGNOJI-IBGZPJMESA-N 2 0 346.519 3.066 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC3([NH3+])CCCCC3)ccc21 ZINC000415795809 309144097 /nfs/dbraw/zinc/14/40/97/309144097.db2.gz XKGDMBKVUQXZLQ-QGZVFWFLSA-N 2 0 330.476 3.019 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000415924424 309148988 /nfs/dbraw/zinc/14/89/88/309148988.db2.gz YCXLCJFBZXTLPM-IBGZPJMESA-N 2 0 340.471 3.139 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000415976047 309152351 /nfs/dbraw/zinc/15/23/51/309152351.db2.gz VGANSMRUISCSKF-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C(C)(C)C ZINC000417678085 309217421 /nfs/dbraw/zinc/21/74/21/309217421.db2.gz IXCQAJWWEKXWLS-ZWKOTPCHSA-N 2 0 348.535 3.132 20 0 EGADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000417691338 309218152 /nfs/dbraw/zinc/21/81/52/309218152.db2.gz MSFHHASPNPUOIQ-VQIMIIECSA-N 2 0 346.519 3.029 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000417788570 309222274 /nfs/dbraw/zinc/22/22/74/309222274.db2.gz FTJXCISRHBKHEG-INIZCTEOSA-N 2 0 334.508 3.014 20 0 EGADRP CCn1cncc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000417855810 309225392 /nfs/dbraw/zinc/22/53/92/309225392.db2.gz LUHLIZBLWPKJHR-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[N@H+](CCCC[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)C1CC1 ZINC000419295590 309263655 /nfs/dbraw/zinc/26/36/55/309263655.db2.gz CUZMRRVMDVLXCT-FQEVSTJZSA-N 2 0 343.515 3.204 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)CCC2)c1 ZINC000420292905 309279625 /nfs/dbraw/zinc/27/96/25/309279625.db2.gz QHKLCKNUBOPHTJ-HKUYNNGSSA-N 2 0 346.515 3.441 20 0 EGADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000420301577 309280502 /nfs/dbraw/zinc/28/05/02/309280502.db2.gz LMLHYXXDQSBTAT-AWEZNQCLSA-N 2 0 337.305 3.412 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cncc(OCc4ccccc4)c3)C[C@H]21 ZINC000420317628 309281663 /nfs/dbraw/zinc/28/16/63/309281663.db2.gz ZRARFGUKRJHVSR-HMXCVIKNSA-N 2 0 337.467 3.220 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](c2ncccc2C)C(C)C)cc1 ZINC000420319607 309281833 /nfs/dbraw/zinc/28/18/33/309281833.db2.gz PHVHHYIGFROGHQ-HKUYNNGSSA-N 2 0 327.472 3.428 20 0 EGADRP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420317963 309281877 /nfs/dbraw/zinc/28/18/77/309281877.db2.gz NMDNEFMBNCNCBX-CVEARBPZSA-N 2 0 337.458 3.033 20 0 EGADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000420325025 309282386 /nfs/dbraw/zinc/28/23/86/309282386.db2.gz VXQNFGLFPOKESW-LBPRGKRZSA-N 2 0 344.286 3.253 20 0 EGADRP [NH3+]C[C@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CC12CCOCC2 ZINC000420323671 309282395 /nfs/dbraw/zinc/28/23/95/309282395.db2.gz GQBRUOQPMJVZJT-INIZCTEOSA-N 2 0 334.463 3.444 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCOc2cccc(C)c2)cc1 ZINC000420325108 309282459 /nfs/dbraw/zinc/28/24/59/309282459.db2.gz WHPYMRZUGWFALR-GOSISDBHSA-N 2 0 328.456 3.057 20 0 EGADRP c1ccc(COc2cncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)cc1 ZINC000420329143 309282589 /nfs/dbraw/zinc/28/25/89/309282589.db2.gz GKFFTPBNHKSZTH-BGYRXZFFSA-N 2 0 337.467 3.092 20 0 EGADRP Fc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420329798 309282683 /nfs/dbraw/zinc/28/26/83/309282683.db2.gz OZEXTNAGLONHSI-ZIAGYGMSSA-N 2 0 341.268 3.410 20 0 EGADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333144 309282767 /nfs/dbraw/zinc/28/27/67/309282767.db2.gz SLRAPOJYYUOGAM-ZFWWWQNUSA-N 2 0 340.414 3.036 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000420373817 309285054 /nfs/dbraw/zinc/28/50/54/309285054.db2.gz GRPGJRGYYLDHPS-QZTJIDSGSA-N 2 0 340.870 3.240 20 0 EGADRP FC(F)Oc1cccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420376294 309285122 /nfs/dbraw/zinc/28/51/22/309285122.db2.gz QHDCZBUKTMYZRJ-WMLDXEAASA-N 2 0 340.414 3.051 20 0 EGADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376455 309285139 /nfs/dbraw/zinc/28/51/39/309285139.db2.gz JWAQIIGRCVHLQQ-QRWLVFNGSA-N 2 0 335.455 3.288 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000420385373 309285759 /nfs/dbraw/zinc/28/57/59/309285759.db2.gz SWMILRXHDDFPCJ-SFTDATJTSA-N 2 0 346.515 3.291 20 0 EGADRP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000420397364 309286307 /nfs/dbraw/zinc/28/63/07/309286307.db2.gz FZSOBAATQZGLIL-DOTOQJQBSA-N 2 0 325.456 3.085 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c2ccccc2n1 ZINC000420396315 309286326 /nfs/dbraw/zinc/28/63/26/309286326.db2.gz VQGXCGPEDPNCJQ-GHTZIAJQSA-N 2 0 339.483 3.262 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c2ccccc2n1 ZINC000420396318 309286430 /nfs/dbraw/zinc/28/64/30/309286430.db2.gz VQGXCGPEDPNCJQ-WIYYLYMNSA-N 2 0 339.483 3.262 20 0 EGADRP Cc1sc([C@H](C)[NH2+]CCOCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000420404583 309286681 /nfs/dbraw/zinc/28/66/81/309286681.db2.gz MFTYCSYVPOZXQO-NSHDSACASA-N 2 0 339.892 3.398 20 0 EGADRP Cc1cc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc(C)n1 ZINC000420812954 309296157 /nfs/dbraw/zinc/29/61/57/309296157.db2.gz GSDNNICWPNLSHW-SFHVURJKSA-N 2 0 332.492 3.008 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421340261 309319028 /nfs/dbraw/zinc/31/90/28/309319028.db2.gz IARNQRSCTQPDSK-JOCHJYFZSA-N 2 0 336.479 3.420 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000421369097 309321082 /nfs/dbraw/zinc/32/10/82/309321082.db2.gz HDHXUWXFEDPIOG-UHFFFAOYSA-N 2 0 334.414 3.317 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421379167 309321661 /nfs/dbraw/zinc/32/16/61/309321661.db2.gz WIXSWBLVEVLJIT-AOCRQIFASA-N 2 0 334.504 3.487 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+]2C)cc1 ZINC000421702079 309335405 /nfs/dbraw/zinc/33/54/05/309335405.db2.gz JHCYAIOSWJOFAN-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCCC1 ZINC000421826139 309341807 /nfs/dbraw/zinc/34/18/07/309341807.db2.gz RCKNLXLFKCUESK-ICSRJNTNSA-N 2 0 330.516 3.488 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000421832574 309342301 /nfs/dbraw/zinc/34/23/01/309342301.db2.gz GMBLCHAPROGXMV-UHOSZYNNSA-N 2 0 338.536 3.082 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000421838807 309342650 /nfs/dbraw/zinc/34/26/50/309342650.db2.gz VQQDEKIVXGXNHM-WMLDXEAASA-N 2 0 342.886 3.237 20 0 EGADRP Fc1cccc(F)c1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422691908 309363366 /nfs/dbraw/zinc/36/33/66/309363366.db2.gz JDTVXXNNSIBRIF-QUCCMNQESA-N 2 0 344.405 3.353 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1OC(F)F ZINC000422697188 309363608 /nfs/dbraw/zinc/36/36/08/309363608.db2.gz UENTYBPEKZQBMK-JSGCOSHPSA-N 2 0 328.403 3.164 20 0 EGADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704576 309363761 /nfs/dbraw/zinc/36/37/61/309363761.db2.gz ABFZFPGCXYYFPR-RDPOXOKHSA-N 2 0 344.499 3.427 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCCCC1 ZINC000422707272 309364083 /nfs/dbraw/zinc/36/40/83/309364083.db2.gz HEBQJWSOHYERKR-HKUYNNGSSA-N 2 0 333.520 3.329 20 0 EGADRP CCC[NH+](CCC)CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422716873 309364716 /nfs/dbraw/zinc/36/47/16/309364716.db2.gz UUETZVJUZSSDHK-TZIWHRDSSA-N 2 0 345.531 3.344 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422717320 309364745 /nfs/dbraw/zinc/36/47/45/309364745.db2.gz VKLUMQINAFSLIG-QXAKKESOSA-N 2 0 344.499 3.234 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1C[NH2+]C1 ZINC000422721341 309364755 /nfs/dbraw/zinc/36/47/55/309364755.db2.gz VCXYFCHIUKMUMH-KRWDZBQOSA-N 2 0 346.478 3.296 20 0 EGADRP CC1CC[NH+]([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000422728556 309365427 /nfs/dbraw/zinc/36/54/27/309365427.db2.gz AGRYOAMZZJZMPS-JKWVGCSGSA-N 2 0 327.516 3.332 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422731279 309365726 /nfs/dbraw/zinc/36/57/26/309365726.db2.gz NJUHVSXELPBSQU-TZIWHRDSSA-N 2 0 338.451 3.083 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422733991 309365786 /nfs/dbraw/zinc/36/57/86/309365786.db2.gz BVNZQUMBFGKUSY-ICSRJNTNSA-N 3 0 347.547 3.070 20 0 EGADRP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422744367 309366191 /nfs/dbraw/zinc/36/61/91/309366191.db2.gz VXNBITYPWWQCNM-RRQGHBQHSA-N 2 0 343.298 3.283 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N(C)C ZINC000422744965 309366211 /nfs/dbraw/zinc/36/62/11/309366211.db2.gz LBIPOCNMNLTBSG-FFGOWVMKSA-N 2 0 345.531 3.198 20 0 EGADRP CC1CC[NH+]([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccs2)CC1 ZINC000422748140 309366392 /nfs/dbraw/zinc/36/63/92/309366392.db2.gz SDXCIZQLFUFZMN-WFFDWFOESA-N 2 0 333.545 3.394 20 0 EGADRP COc1ccc([C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N2CCCCC2)cc1 ZINC000422753731 309366655 /nfs/dbraw/zinc/36/66/55/309366655.db2.gz GIVBWZCMMRDWAM-FXAWDEMLSA-N 2 0 333.520 3.329 20 0 EGADRP COc1ccc(C[C@H]([NH2+]C2CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422760141 309367044 /nfs/dbraw/zinc/36/70/44/309367044.db2.gz GEPNRVAYXCJWLK-NRFANRHFSA-N 2 0 340.467 3.329 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422758771 309367064 /nfs/dbraw/zinc/36/70/64/309367064.db2.gz KRNOYFPOTXZGSS-QAPCUYQASA-N 2 0 336.907 3.366 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422763263 309367126 /nfs/dbraw/zinc/36/71/26/309367126.db2.gz ORKKTNSXTZBERE-BLLLJJGKSA-N 2 0 343.284 3.499 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCCC1 ZINC000422764097 309367185 /nfs/dbraw/zinc/36/71/85/309367185.db2.gz PLVRYHAIQVOWJA-JCGIZDLHSA-N 2 0 336.907 3.494 20 0 EGADRP Clc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422766259 309367219 /nfs/dbraw/zinc/36/72/19/309367219.db2.gz LQWYMWFXRRSTQB-RCCFBDPRSA-N 2 0 334.891 3.118 20 0 EGADRP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422772927 309367475 /nfs/dbraw/zinc/36/74/75/309367475.db2.gz ZUUACIDLZGQYNC-FRYIKTPZSA-N 2 0 331.479 3.305 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000422781837 309368037 /nfs/dbraw/zinc/36/80/37/309368037.db2.gz LCQDSBQRUVYPPS-YSSFQJQWSA-N 2 0 325.456 3.420 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000422785455 309368093 /nfs/dbraw/zinc/36/80/93/309368093.db2.gz JSXVSEFYHBZFHF-UXHICEINSA-N 2 0 336.414 3.288 20 0 EGADRP CCN(CCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422783343 309368125 /nfs/dbraw/zinc/36/81/25/309368125.db2.gz KTVHWVYIIWSUPL-MRXNPFEDSA-N 2 0 326.488 3.416 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)CC[NH2+]CC1 ZINC000422800722 309369189 /nfs/dbraw/zinc/36/91/89/309369189.db2.gz ADIQWRDPKYORKM-DZGCQCFKSA-N 2 0 338.517 3.337 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000422802014 309369201 /nfs/dbraw/zinc/36/92/01/309369201.db2.gz GPBZOZIXTBZKKH-CRAIPNDOSA-N 2 0 330.472 3.049 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000422802015 309369285 /nfs/dbraw/zinc/36/92/85/309369285.db2.gz GPBZOZIXTBZKKH-MAUKXSAKSA-N 2 0 330.472 3.049 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422828883 309370660 /nfs/dbraw/zinc/37/06/60/309370660.db2.gz UCZADZNJKKYJTO-LAUBAEHRSA-N 2 0 329.532 3.332 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000422828799 309370779 /nfs/dbraw/zinc/37/07/79/309370779.db2.gz BHGPASSFQYTCCJ-STQMWFEESA-N 2 0 329.282 3.324 20 0 EGADRP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832760 309370911 /nfs/dbraw/zinc/37/09/11/309370911.db2.gz FYBLMLSKEPWGLR-BTHPGYMESA-N 2 0 347.572 3.470 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422831040 309370946 /nfs/dbraw/zinc/37/09/46/309370946.db2.gz SDLMYLJNMURVER-YLJYHZDGSA-N 2 0 326.488 3.332 20 0 EGADRP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422842568 309371488 /nfs/dbraw/zinc/37/14/88/309371488.db2.gz FYHSKXYOTULMLM-XBVQOTNRSA-N 2 0 336.476 3.109 20 0 EGADRP c1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422847523 309371845 /nfs/dbraw/zinc/37/18/45/309371845.db2.gz RNOKHLWGAVXJLA-HSALFYBXSA-N 2 0 328.500 3.245 20 0 EGADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422851710 309371984 /nfs/dbraw/zinc/37/19/84/309371984.db2.gz FSSWVHSQRFSOBQ-SLFFLAALSA-N 2 0 346.515 3.421 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422861245 309372500 /nfs/dbraw/zinc/37/25/00/309372500.db2.gz NRVNKOKTIBGQKP-BEVDRBHNSA-N 2 0 326.440 3.321 20 0 EGADRP CC[C@@H]([NH2+]CCCc1cc2c(cc(OC)cc2OC)[nH]1)[C@@H]1CCC[NH2+]1 ZINC000422861321 309372640 /nfs/dbraw/zinc/37/26/40/309372640.db2.gz JBDITZHMBMBJQF-MSOLQXFVSA-N 2 0 345.487 3.238 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)CCOCC2)cc1 ZINC000422875947 309373177 /nfs/dbraw/zinc/37/31/77/309373177.db2.gz DRWAYYVJXSKSFM-YLJYHZDGSA-N 2 0 346.515 3.111 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1c(Cl)cccc1Cl ZINC000422875149 309373183 /nfs/dbraw/zinc/37/31/83/309373183.db2.gz CBPTXTSHUFGOJK-NWJSVONSSA-N 2 0 331.287 3.439 20 0 EGADRP CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422883973 309374113 /nfs/dbraw/zinc/37/41/13/309374113.db2.gz WDJXMZJCOWPFSM-BXWFABGCSA-N 2 0 346.519 3.109 20 0 EGADRP COCc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422886721 309374205 /nfs/dbraw/zinc/37/42/05/309374205.db2.gz XHCWRXLDMGTJLK-CTNGQTDRSA-N 2 0 338.451 3.179 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422891539 309374657 /nfs/dbraw/zinc/37/46/57/309374657.db2.gz VSTAONUSBUUQDY-UFPRQQMNSA-N 2 0 327.516 3.016 20 0 EGADRP CCc1nc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422901964 309375277 /nfs/dbraw/zinc/37/52/77/309375277.db2.gz LZNRNCRMBAJRLR-VQIMIIECSA-N 2 0 343.496 3.094 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000422925379 309376430 /nfs/dbraw/zinc/37/64/30/309376430.db2.gz BOUNMMNMGRBTDV-IAGOWNOFSA-N 2 0 344.842 3.388 20 0 EGADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)cc1 ZINC000422925913 309376481 /nfs/dbraw/zinc/37/64/81/309376481.db2.gz VVQUBQPJWQYBKW-ONGXBYRLSA-N 2 0 340.467 3.204 20 0 EGADRP Clc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000422933960 309376755 /nfs/dbraw/zinc/37/67/55/309376755.db2.gz BUTPUKKVWWNJOP-JWTNVVGKSA-N 2 0 334.891 3.261 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422952037 309377607 /nfs/dbraw/zinc/37/76/07/309377607.db2.gz BJXRSIJWNXPWNW-AEFFLSMTSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422954850 309377941 /nfs/dbraw/zinc/37/79/41/309377941.db2.gz IFWUOVOYFAUIDV-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Sc1ccc(Br)cc1 ZINC000422957625 309378359 /nfs/dbraw/zinc/37/83/59/309378359.db2.gz NSEAWZRLXSMKIL-MNOVXSKESA-N 2 0 329.307 3.127 20 0 EGADRP C[C@H](CCc1ccco1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422961275 309378406 /nfs/dbraw/zinc/37/84/06/309378406.db2.gz BIINIFDXHHQHAL-MOXGXCLJSA-N 2 0 326.440 3.446 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422973414 309379124 /nfs/dbraw/zinc/37/91/24/309379124.db2.gz OMGLQMDADHTWRQ-OALUTQOASA-N 2 0 325.456 3.268 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000422990120 309379773 /nfs/dbraw/zinc/37/97/73/309379773.db2.gz BQCYPPOWHLUXNS-UWJYYQICSA-N 3 0 341.499 3.389 20 0 EGADRP COc1cccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422996838 309380105 /nfs/dbraw/zinc/38/01/05/309380105.db2.gz ABXFITYYHOBGMU-HSALFYBXSA-N 2 0 332.488 3.112 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000423000556 309380212 /nfs/dbraw/zinc/38/02/12/309380212.db2.gz VMOIRVDGSZEXJW-YHTNBQAJSA-N 2 0 344.499 3.184 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000423005141 309380544 /nfs/dbraw/zinc/38/05/44/309380544.db2.gz QVUSBUYDQUDINW-CTLHLVSWSA-N 3 0 327.516 3.160 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005319 309380557 /nfs/dbraw/zinc/38/05/57/309380557.db2.gz RICIIRSWFWNINW-HZPDHXFCSA-N 2 0 330.394 3.373 20 0 EGADRP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000423015522 309381096 /nfs/dbraw/zinc/38/10/96/309381096.db2.gz RIOHYPZYUFGHQP-WOJBJXKFSA-N 2 0 326.440 3.499 20 0 EGADRP Clc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423020431 309381297 /nfs/dbraw/zinc/38/12/97/309381297.db2.gz BKJFTMABGWXFQN-ZTFGCOKTSA-N 2 0 334.891 3.118 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCCCC[C@@H]3[NH3+])c2)CC1 ZINC000423021808 309381434 /nfs/dbraw/zinc/38/14/34/309381434.db2.gz CXYMPNNFUZOMAH-VQTJNVASSA-N 2 0 330.520 3.289 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cncc(F)c1 ZINC000423029831 309381710 /nfs/dbraw/zinc/38/17/10/309381710.db2.gz IRBXCPSNTUTNNT-SOVGHPHASA-N 2 0 327.403 3.127 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423030483 309382037 /nfs/dbraw/zinc/38/20/37/309382037.db2.gz JYCNVJQQHOCVEE-ZFWWWQNUSA-N 2 0 341.293 3.107 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423037812 309382372 /nfs/dbraw/zinc/38/23/72/309382372.db2.gz CAJCPWFJEJPHST-IIYDPXPESA-N 2 0 325.859 3.036 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423040608 309382494 /nfs/dbraw/zinc/38/24/94/309382494.db2.gz HPTHKBSCQWYVAP-MQIPJXDCSA-N 2 0 328.287 3.289 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)[C@@H]1CC[NH2+]C1 ZINC000423050051 309382963 /nfs/dbraw/zinc/38/29/63/309382963.db2.gz LDWQJZNSYFHRQH-DOTOQJQBSA-N 2 0 328.431 3.492 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423049467 309382998 /nfs/dbraw/zinc/38/29/98/309382998.db2.gz XRWWHUMEDJYSNI-NHYWBVRUSA-N 2 0 344.286 3.206 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423053514 309383128 /nfs/dbraw/zinc/38/31/28/309383128.db2.gz SRDQSKIOBNIRGP-FVQBIDKESA-N 2 0 329.410 3.025 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423051456 309383153 /nfs/dbraw/zinc/38/31/53/309383153.db2.gz NIYOTRBQMHRLLZ-CYBMUJFWSA-N 2 0 340.446 3.373 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(C(C)C)c2)CC[NH2+]CC1 ZINC000423054419 309383387 /nfs/dbraw/zinc/38/33/87/309383387.db2.gz UHDOCKIEZPSUGM-INIZCTEOSA-N 2 0 332.488 3.221 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423058210 309383589 /nfs/dbraw/zinc/38/35/89/309383589.db2.gz BPNAMWIODXYFTL-SQWLQELKSA-N 2 0 341.421 3.391 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423083391 309385050 /nfs/dbraw/zinc/38/50/50/309385050.db2.gz FZCVSNZKWLUROY-VLCRHTCISA-N 2 0 337.511 3.057 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCn2cc(Br)cn2)c2ccccc21 ZINC000423088610 309385454 /nfs/dbraw/zinc/38/54/54/309385454.db2.gz SJIAGMFZCWQWHV-HZPDHXFCSA-N 2 0 349.276 3.160 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)N[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423102797 309386053 /nfs/dbraw/zinc/38/60/53/309386053.db2.gz KOEIXGOOVUTPEY-HQRMLTQVSA-N 2 0 333.520 3.198 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423134525 309387539 /nfs/dbraw/zinc/38/75/39/309387539.db2.gz MJYPZODWHPPUNI-WBVHZDCISA-N 2 0 334.533 3.161 20 0 EGADRP c1c2ccccc2sc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423133953 309387581 /nfs/dbraw/zinc/38/75/81/309387581.db2.gz LPMDNOUXQSSZEW-RCCFBDPRSA-N 2 0 330.497 3.191 20 0 EGADRP C[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423142736 309388081 /nfs/dbraw/zinc/38/80/81/309388081.db2.gz VRLYTEUUSZSCPS-NRSPTQNISA-N 2 0 329.532 3.409 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423165803 309389022 /nfs/dbraw/zinc/38/90/22/309389022.db2.gz UXTREMUXAIQMDG-DFQSSKMNSA-N 2 0 344.524 3.461 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)(F)F ZINC000423181628 309389318 /nfs/dbraw/zinc/38/93/18/309389318.db2.gz LGWOZPZNWGPXBQ-NOLJZWGESA-N 2 0 328.378 3.420 20 0 EGADRP c1ccc(CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423187251 309389773 /nfs/dbraw/zinc/38/97/73/309389773.db2.gz XPSROAXXLVWVOT-QFIPXVFZSA-N 2 0 337.511 3.245 20 0 EGADRP Fc1cccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2cccc(Cl)c2)c1 ZINC000423201548 309390262 /nfs/dbraw/zinc/39/02/62/309390262.db2.gz IVHYGVJBUBPHBV-IBGZPJMESA-N 2 0 347.865 3.063 20 0 EGADRP Fc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423206245 309390268 /nfs/dbraw/zinc/39/02/68/309390268.db2.gz QDXYUIOKTOJCST-IBGZPJMESA-N 2 0 347.865 3.063 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000423249600 309392430 /nfs/dbraw/zinc/39/24/30/309392430.db2.gz OYWKLQRURLPOTE-VXGBXAGGSA-N 2 0 327.266 3.108 20 0 EGADRP Brc1cc2c(s1)CC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256227 309392525 /nfs/dbraw/zinc/39/25/25/309392525.db2.gz BNNKRCRLAKIUHQ-CMPLNLGQSA-N 2 0 329.307 3.477 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254870 309392549 /nfs/dbraw/zinc/39/25/49/309392549.db2.gz ZTXUGXSLJBHUAG-IINYFYTJSA-N 2 0 327.241 3.165 20 0 EGADRP C[C@H](N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423268555 309393224 /nfs/dbraw/zinc/39/32/24/309393224.db2.gz UUBIGEZXTBPFDF-YYWHXJBOSA-N 2 0 329.532 3.394 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423280964 309393704 /nfs/dbraw/zinc/39/37/04/309393704.db2.gz VBEMNARVNSRGDR-YOEHRIQHSA-N 2 0 332.879 3.142 20 0 EGADRP C[C@H](C[NH3+])C[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423307079 309394720 /nfs/dbraw/zinc/39/47/20/309394720.db2.gz MJFAQFZTXZIJHT-ISTVAULSSA-N 2 0 329.307 3.416 20 0 EGADRP CC1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC[NH2+]CC1 ZINC000423325249 309395259 /nfs/dbraw/zinc/39/52/59/309395259.db2.gz JGXGZBFOUUHEGQ-ZWKOTPCHSA-N 2 0 336.907 3.409 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccccc21 ZINC000423326503 309395373 /nfs/dbraw/zinc/39/53/73/309395373.db2.gz KQLHVBZYANWDSJ-ROUUACIJSA-N 2 0 330.472 3.148 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000423332859 309395537 /nfs/dbraw/zinc/39/55/37/309395537.db2.gz HITSAQPDRLGGAO-XVAXZDLZSA-N 3 0 329.532 3.409 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423337649 309395976 /nfs/dbraw/zinc/39/59/76/309395976.db2.gz RGEJMFWKIXUPRX-MBOZVWFJSA-N 2 0 345.531 3.154 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)[NH3+] ZINC000423345167 309396408 /nfs/dbraw/zinc/39/64/08/309396408.db2.gz XMMKHMOBGAMRJW-MDZRGWNJSA-N 2 0 331.504 3.476 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@@H](C)C1 ZINC000423353333 309396495 /nfs/dbraw/zinc/39/64/95/309396495.db2.gz LSUNSBRZZDHBLA-ORYQWCPZSA-N 2 0 345.531 3.373 20 0 EGADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000423358910 309397003 /nfs/dbraw/zinc/39/70/03/309397003.db2.gz UOJVPSHMZDGAOV-LPHOPBHVSA-N 2 0 329.488 3.042 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(I)cc1 ZINC000423369174 309397388 /nfs/dbraw/zinc/39/73/88/309397388.db2.gz FQQYDUUVWZEVME-GYSYKLTISA-N 2 0 344.240 3.082 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccccc2Br)CC[NH2+]CC1 ZINC000423402426 309398739 /nfs/dbraw/zinc/39/87/39/309398739.db2.gz WXABJXCCKUFHME-ZDUSSCGKSA-N 2 0 341.293 3.116 20 0 EGADRP COCC1(C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC[NH2+]CC1 ZINC000423412521 309399112 /nfs/dbraw/zinc/39/91/12/309399112.db2.gz WZUUNAVKLNAQRF-SFHVURJKSA-N 2 0 332.488 3.023 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000423506052 309403473 /nfs/dbraw/zinc/40/34/73/309403473.db2.gz LXFSOKAZFMGGKO-ISTRZQFTSA-N 2 0 337.305 3.487 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccn2)cc1 ZINC000423550257 309406043 /nfs/dbraw/zinc/40/60/43/309406043.db2.gz STHJBIFDZMQSBT-HNAWSFBYSA-N 2 0 325.431 3.288 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000424274132 309435836 /nfs/dbraw/zinc/43/58/36/309435836.db2.gz VKRJCFVVRGNEGS-UHFFFAOYSA-N 2 0 344.499 3.494 20 0 EGADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccco1 ZINC000424427770 309443263 /nfs/dbraw/zinc/44/32/63/309443263.db2.gz QPFSLMWNTNJJDB-RHSMWYFYSA-N 2 0 344.459 3.298 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)CCOCC1 ZINC000428541604 309554640 /nfs/dbraw/zinc/55/46/40/309554640.db2.gz PUMTWIGYEGKCFA-UHFFFAOYSA-N 2 0 346.515 3.204 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000430945739 309621818 /nfs/dbraw/zinc/62/18/18/309621818.db2.gz SMNTXGQERZSHKS-HRAATJIYSA-N 2 0 343.515 3.093 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000430966452 309622450 /nfs/dbraw/zinc/62/24/50/309622450.db2.gz NSQDVYWMXGINGR-GFCCVEGCSA-N 2 0 343.393 3.093 20 0 EGADRP Cc1ccc2cc(C[NH+]3CCC(OCC[NH+](C)C)CC3)ccc2n1 ZINC000438119816 309807348 /nfs/dbraw/zinc/80/73/48/309807348.db2.gz UPWACPYBCXPUQS-UHFFFAOYSA-N 2 0 327.472 3.086 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCC[C@H]1C ZINC000449082476 310035642 /nfs/dbraw/zinc/03/56/42/310035642.db2.gz NOLKVSAPXALYJH-ZIFCJYIRSA-N 2 0 330.520 3.138 20 0 EGADRP O[C@@H](C[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000449090906 310036470 /nfs/dbraw/zinc/03/64/70/310036470.db2.gz IDDZOBATPMEFNH-OALUTQOASA-N 2 0 334.891 3.322 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000449125051 310038802 /nfs/dbraw/zinc/03/88/02/310038802.db2.gz RMKHXIOFSLXSJU-WMZOPIPTSA-N 2 0 330.472 3.046 20 0 EGADRP COc1cc(C)ccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449250328 310047563 /nfs/dbraw/zinc/04/75/63/310047563.db2.gz LGZXJLKCUZNLTG-UHFFFAOYSA-N 2 0 325.456 3.405 20 0 EGADRP C[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449515180 310068626 /nfs/dbraw/zinc/06/86/26/310068626.db2.gz ZPQBMAUJPJXAAT-IRNNPGBSSA-N 2 0 342.527 3.284 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449816596 310088963 /nfs/dbraw/zinc/08/89/63/310088963.db2.gz YMOGCOCVOAXEMR-PKOBYXMFSA-N 2 0 337.552 3.410 20 0 EGADRP CCCc1ccc2[nH+]ccc(NCC3([NH+](C)C)CCOCC3)c2c1 ZINC000450333366 310115990 /nfs/dbraw/zinc/11/59/90/310115990.db2.gz QBILNIVRUBGWPO-UHFFFAOYSA-N 2 0 327.472 3.132 20 0 EGADRP C[C@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450638216 310134367 /nfs/dbraw/zinc/13/43/67/310134367.db2.gz BLOMKOQHCHSJCH-HKPPCEJWSA-N 2 0 345.575 3.161 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000453108090 310258626 /nfs/dbraw/zinc/25/86/26/310258626.db2.gz MYBILUIDYKFEBH-SFHVURJKSA-N 2 0 338.499 3.429 20 0 EGADRP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453187808 310263109 /nfs/dbraw/zinc/26/31/09/310263109.db2.gz AOBFWUQSWQICDC-ZCNNSNEGSA-N 2 0 328.500 3.182 20 0 EGADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453213692 310264437 /nfs/dbraw/zinc/26/44/37/310264437.db2.gz ATWMHXGZTQAXMM-DOIPELPJSA-N 2 0 328.500 3.444 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ncccc2C)[C@H](C)C1 ZINC000453306965 310270185 /nfs/dbraw/zinc/27/01/85/310270185.db2.gz KWDGZYALQJQDJV-QUCCMNQESA-N 2 0 333.520 3.049 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ncccc2C)[C@H](C)C1 ZINC000453306966 310270299 /nfs/dbraw/zinc/27/02/99/310270299.db2.gz KWDGZYALQJQDJV-UYAOXDASSA-N 2 0 333.520 3.049 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+]4CCC[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000453384675 310274128 /nfs/dbraw/zinc/27/41/28/310274128.db2.gz TWMMNHQECCHNED-LNRXMEIDSA-N 2 0 340.511 3.400 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455860235 310379834 /nfs/dbraw/zinc/37/98/34/310379834.db2.gz JLYKHFGHVPVOCD-IBGZPJMESA-N 2 0 344.503 3.230 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1C ZINC000455945514 310383170 /nfs/dbraw/zinc/38/31/70/310383170.db2.gz WCWADIWORZIBCI-LSBZLQRGSA-N 2 0 344.503 3.182 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+]1CCCCCC1 ZINC000456260104 310395318 /nfs/dbraw/zinc/39/53/18/310395318.db2.gz FEHRFQHZFUIYFK-KXBFYZLASA-N 2 0 329.488 3.439 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000456283284 310396454 /nfs/dbraw/zinc/39/64/54/310396454.db2.gz SKWHEISOMBDYKN-LJQANCHMSA-N 2 0 329.488 3.294 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CC[NH+](C4CC4)CC3)ccc21 ZINC000456344077 310399725 /nfs/dbraw/zinc/39/97/25/310399725.db2.gz ZTFOJDOXOPOPRJ-IBGZPJMESA-N 2 0 327.472 3.048 20 0 EGADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000484150273 310962788 /nfs/dbraw/zinc/96/27/88/310962788.db2.gz VWEWXWFEVPELCE-SFHVURJKSA-N 2 0 344.524 3.387 20 0 EGADRP C[C@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000487205969 311015855 /nfs/dbraw/zinc/01/58/55/311015855.db2.gz WFGCMXSJWWVMQX-ABSDTBQOSA-N 2 0 331.504 3.059 20 0 EGADRP C(=C\c1ccncc1)\C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000487300257 311019431 /nfs/dbraw/zinc/01/94/31/311019431.db2.gz FVZIGPPASUCPQG-ARJAWSKDSA-N 2 0 337.467 3.359 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C(C)C)C2)[C@H](C)C1 ZINC000488449105 311066103 /nfs/dbraw/zinc/06/61/03/311066103.db2.gz MUHFFIGHABVZRT-OWSLCNJRSA-N 2 0 328.566 3.243 20 0 EGADRP Cc1ccc(F)cc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000491251411 311170343 /nfs/dbraw/zinc/17/03/43/311170343.db2.gz YXCJXSFWOXQPDP-IAGOWNOFSA-N 2 0 334.479 3.455 20 0 EGADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000492152782 311221594 /nfs/dbraw/zinc/22/15/94/311221594.db2.gz ZITWBKMKJSFPPT-OAHLLOKOSA-N 2 0 341.540 3.484 20 0 EGADRP CCCC[NH+]1CCC([NH2+]C2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC000495620516 311587540 /nfs/dbraw/zinc/58/75/40/311587540.db2.gz RRBYWVMEOZECKK-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000507216677 312063942 /nfs/dbraw/zinc/06/39/42/312063942.db2.gz VFVDEWTXDJWRIL-UHFFFAOYSA-N 2 0 345.487 3.075 20 0 EGADRP C[C@@H](NCC1([NH+](C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690874 312099707 /nfs/dbraw/zinc/09/97/07/312099707.db2.gz LCAVAVSMXHOHOM-UYAOXDASSA-N 3 0 329.532 3.361 20 0 EGADRP CC[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714048 312100917 /nfs/dbraw/zinc/10/09/17/312100917.db2.gz GUXVYZBBZBOGMO-CEWLAPEOSA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)CC(C)(C)C)CC1 ZINC000509058818 312108417 /nfs/dbraw/zinc/10/84/17/312108417.db2.gz XVZYHIKKFHSYMW-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510546660 312143126 /nfs/dbraw/zinc/14/31/26/312143126.db2.gz JDNDCZJTBDZYOB-YTQUADARSA-N 2 0 333.520 3.269 20 0 EGADRP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000510963357 312151943 /nfs/dbraw/zinc/15/19/43/312151943.db2.gz ADQFDJKFRGYJGZ-FNAHDJPLSA-N 2 0 342.527 3.428 20 0 EGADRP CC(C)CC[NH+](CCC(C)C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511659190 312166146 /nfs/dbraw/zinc/16/61/46/312166146.db2.gz PPNSSFWUHAIIMT-UHFFFAOYSA-N 2 0 339.568 3.370 20 0 EGADRP c1ccc([C@H]2C[C@H]2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000512470492 312186630 /nfs/dbraw/zinc/18/66/30/312186630.db2.gz YTHXTARQJYKHIW-LEWJYISDSA-N 2 0 328.500 3.224 20 0 EGADRP Cc1cc(C)cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000512697363 312192806 /nfs/dbraw/zinc/19/28/06/312192806.db2.gz QJFAFHYLADVNRD-WOJBJXKFSA-N 2 0 329.532 3.294 20 0 EGADRP [NH3+]CC[C@@H]1CCCN(Cc2cc(Br)cc(F)c2F)C1 ZINC000516872238 312347194 /nfs/dbraw/zinc/34/71/94/312347194.db2.gz SHWKTGQWKJVIFA-JTQLQIEISA-N 2 0 333.220 3.288 20 0 EGADRP C[C@H](CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)n1ccnc1 ZINC000516870706 312347208 /nfs/dbraw/zinc/34/72/08/312347208.db2.gz LALZJWWHUFONCF-QGZVFWFLSA-N 2 0 332.492 3.091 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000517125722 312364684 /nfs/dbraw/zinc/36/46/84/312364684.db2.gz YSRXBNWMUUPUMZ-OAHLLOKOSA-N 2 0 325.456 3.207 20 0 EGADRP CCOCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517127810 312365139 /nfs/dbraw/zinc/36/51/39/312365139.db2.gz PGAYHCRYDHQGIO-LVCYWYKZSA-N 2 0 348.531 3.042 20 0 EGADRP Brc1cccc2c1C[C@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000521278861 312540282 /nfs/dbraw/zinc/54/02/82/312540282.db2.gz SJMHNTCHWGJEQK-OAHLLOKOSA-N 2 0 337.305 3.382 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528399839 313085074 /nfs/dbraw/zinc/08/50/74/313085074.db2.gz LLUFUHPXQZYINN-HNNXBMFYSA-N 2 0 345.409 3.033 20 0 EGADRP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000528433534 313093314 /nfs/dbraw/zinc/09/33/14/313093314.db2.gz RPVNFTBQMHXWEY-FQEVSTJZSA-N 2 0 336.495 3.437 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000530242698 313504203 /nfs/dbraw/zinc/50/42/03/313504203.db2.gz CPHGZRACTRXVBI-VIFPVBQESA-N 2 0 333.220 3.378 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000531691364 313701942 /nfs/dbraw/zinc/70/19/42/313701942.db2.gz RZWZQEAKHHEBOC-LEWJYISDSA-N 2 0 329.532 3.389 20 0 EGADRP COC(C)(C)C[NH+](C)Cc1ccccc1C[N@@H+](C)CC(C)(C)OC ZINC000535011145 314013054 /nfs/dbraw/zinc/01/30/54/314013054.db2.gz XUCSEBKSPCMTJY-UHFFFAOYSA-N 2 0 336.520 3.400 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000535083247 314025273 /nfs/dbraw/zinc/02/52/73/314025273.db2.gz PJODDWXYOZLWKP-UHFFFAOYSA-N 2 0 327.476 3.024 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000536864862 314150871 /nfs/dbraw/zinc/15/08/71/314150871.db2.gz UIFWHVXAOOWMEU-ICSRJNTNSA-N 2 0 334.504 3.100 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000537991458 314222360 /nfs/dbraw/zinc/22/23/60/314222360.db2.gz ORGRJJOBIBEKIB-AHIWAGSCSA-N 2 0 337.305 3.452 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cscn1 ZINC000537988236 314222674 /nfs/dbraw/zinc/22/26/74/314222674.db2.gz XXJZHCOIJVDNRS-QGZVFWFLSA-N 2 0 344.528 3.396 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000539041499 314291395 /nfs/dbraw/zinc/29/13/95/314291395.db2.gz LHLBLNDGZWIESO-VURPSTOHSA-N 3 0 329.532 3.359 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)[C@@H](C)C1 ZINC000539088515 314296251 /nfs/dbraw/zinc/29/62/51/314296251.db2.gz VLNSSKMEQLOSRA-FYZZASKESA-N 2 0 330.516 3.344 20 0 EGADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cnc2cnccn12 ZINC000539861273 314346576 /nfs/dbraw/zinc/34/65/76/314346576.db2.gz IDMDSBARALJZGE-MRXNPFEDSA-N 2 0 346.438 3.052 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)C[NH+](C)C ZINC000550218628 315120834 /nfs/dbraw/zinc/12/08/34/315120834.db2.gz ULGDSPDLGCXAAP-OCCSQVGLSA-N 2 0 325.294 3.094 20 0 EGADRP CC(C)[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000550814665 315135228 /nfs/dbraw/zinc/13/52/28/315135228.db2.gz IMNHJSLIDNPINI-FQEVSTJZSA-N 2 0 342.531 3.326 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550919009 315137493 /nfs/dbraw/zinc/13/74/93/315137493.db2.gz CBHDIGMGMJTNEY-RKVPGOIHSA-N 2 0 348.560 3.372 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000551006627 315139797 /nfs/dbraw/zinc/13/97/97/315139797.db2.gz HEYBUTBBRMJYKK-OXJNMPFZSA-N 2 0 349.950 3.277 20 0 EGADRP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552247137 315208574 /nfs/dbraw/zinc/20/85/74/315208574.db2.gz CPDWZCCXRUYCSZ-PLACYPQZSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)C1CCC(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000554855761 315352947 /nfs/dbraw/zinc/35/29/47/315352947.db2.gz YAALOBXUGWXONM-HAMDTZRPSA-N 2 0 335.580 3.407 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000560251784 315669315 /nfs/dbraw/zinc/66/93/15/315669315.db2.gz SYGRVRBTWOUWSY-VXKWHMMOSA-N 2 0 343.559 3.178 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3[NH2+]CCCC3(C)C)ccc21 ZINC000563496638 316028819 /nfs/dbraw/zinc/02/88/19/316028819.db2.gz IGJKCARYACFGBD-ZWKOTPCHSA-N 2 0 344.503 3.135 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000563898702 316088051 /nfs/dbraw/zinc/08/80/51/316088051.db2.gz OXBZBJLMFJWHQB-NSHGMRRFSA-N 2 0 331.504 3.082 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC000564843324 316215816 /nfs/dbraw/zinc/21/58/16/316215816.db2.gz BWROFZBJYWTBTN-QGZVFWFLSA-N 2 0 344.421 3.321 20 0 EGADRP Cn1cncc1CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000565162472 316278595 /nfs/dbraw/zinc/27/85/95/316278595.db2.gz HXPLNJZZRHMDBU-UHFFFAOYSA-N 2 0 340.515 3.197 20 0 EGADRP CC[NH+]1CCN([C@H]2CCN(Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000107368943 454753331 /nfs/dbraw/zinc/75/33/31/454753331.db2.gz ULYOHQSADLQDSF-INIZCTEOSA-N 2 0 342.314 3.205 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000565658114 316352446 /nfs/dbraw/zinc/35/24/46/316352446.db2.gz IQDZHBWAABMWRP-WOJBJXKFSA-N 2 0 342.462 3.426 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000566088260 316414377 /nfs/dbraw/zinc/41/43/77/316414377.db2.gz DQWJUVSMFJIZHL-LBPRGKRZSA-N 2 0 331.273 3.497 20 0 EGADRP C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000566208808 316436142 /nfs/dbraw/zinc/43/61/42/316436142.db2.gz NUBJDCXMWMTXHN-WMLDXEAASA-N 2 0 326.444 3.188 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000567730138 316665227 /nfs/dbraw/zinc/66/52/27/316665227.db2.gz RCSLJUHCDLZJKU-OKZBNKHCSA-N 2 0 345.531 3.169 20 0 EGADRP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000571735362 317238723 /nfs/dbraw/zinc/23/87/23/317238723.db2.gz WQFALZVCUMEKBI-OXQOHEQNSA-N 2 0 339.483 3.169 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000571785983 317248257 /nfs/dbraw/zinc/24/82/57/317248257.db2.gz QHTCJAVUDKNOHF-INIZCTEOSA-N 2 0 339.483 3.091 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000572009958 317278837 /nfs/dbraw/zinc/27/88/37/317278837.db2.gz FHZLVVZPZSQBCV-KXBFYZLASA-N 2 0 325.456 3.174 20 0 EGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000572148941 317298692 /nfs/dbraw/zinc/29/86/92/317298692.db2.gz KWMGIZXFRXQLOO-FXAWDEMLSA-N 2 0 348.531 3.145 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000572178800 317301907 /nfs/dbraw/zinc/30/19/07/317301907.db2.gz CCDDMXKTKZFOCA-LJQANCHMSA-N 2 0 332.488 3.161 20 0 EGADRP CN1CC[C@H]([NH2+]CCc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000572666668 317372738 /nfs/dbraw/zinc/37/27/38/317372738.db2.gz UNZDNMLLDRBORC-ICSRJNTNSA-N 2 0 334.467 3.302 20 0 EGADRP C[C@@H]1CCC[C@](CNC(=O)c2ccc(CC[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000572732889 317384540 /nfs/dbraw/zinc/38/45/40/317384540.db2.gz SZHYKSMAPFNFMJ-UTKZUKDTSA-N 2 0 345.531 3.031 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000574703928 317627718 /nfs/dbraw/zinc/62/77/18/317627718.db2.gz IQYUKPVIASYMPX-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP CCCN(C)Cc1nc(-c2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000350642958 324109628 /nfs/dbraw/zinc/10/96/28/324109628.db2.gz IAYFVZSUDBPGNI-UHFFFAOYSA-N 2 0 344.459 3.053 20 0 EGADRP c1cc(-c2noc(C34CCC[NH+]3CCC4)n2)ccc1C[NH+]1CCCC1 ZINC000351194712 324192064 /nfs/dbraw/zinc/19/20/64/324192064.db2.gz UXVZDABAKDVFPH-UHFFFAOYSA-N 2 0 338.455 3.417 20 0 EGADRP CSC1(C[NH2+]C/C=C\c2ccc(F)cc2F)CC[NH+](C)CC1 ZINC000353191475 456548157 /nfs/dbraw/zinc/54/81/57/456548157.db2.gz PDILVIMSSYVSDK-ARJAWSKDSA-N 2 0 326.456 3.395 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000387475468 324272479 /nfs/dbraw/zinc/27/24/79/324272479.db2.gz UMBALIOZVIOBRH-WSTZPKSXSA-N 2 0 329.532 3.359 20 0 EGADRP Cc1cnccc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000397526166 324294842 /nfs/dbraw/zinc/29/48/42/324294842.db2.gz QILYPMNGUQNNOX-YADHBBJMSA-N 2 0 335.495 3.386 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000578503686 324978788 /nfs/dbraw/zinc/97/87/88/324978788.db2.gz GGUVZWHXJCUTCW-ZWKOTPCHSA-N 2 0 345.874 3.067 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c2nccn21 ZINC000578850836 325027706 /nfs/dbraw/zinc/02/77/06/325027706.db2.gz MEOVWSCZNXGUQE-XWIAVFTESA-N 2 0 349.438 3.041 20 0 EGADRP C[N@H+](CCCNC(=O)Nc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000579209637 325077905 /nfs/dbraw/zinc/07/79/05/325077905.db2.gz XGJMUPQAMMOBAV-UHFFFAOYSA-N 2 0 344.503 3.108 20 0 EGADRP OCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCc2ccccc21 ZINC000579243726 325083529 /nfs/dbraw/zinc/08/35/29/325083529.db2.gz BUSIMULIELPDNJ-QFIPXVFZSA-N 2 0 336.479 3.204 20 0 EGADRP Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000579279599 325088219 /nfs/dbraw/zinc/08/82/19/325088219.db2.gz QDPZIWHDAMHNAC-GOSISDBHSA-N 2 0 341.499 3.441 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CCC([N@H+](C)CCCO)CC2)c1C ZINC000580111343 325205115 /nfs/dbraw/zinc/20/51/15/325205115.db2.gz IJLLFYXLWARQCQ-UHFFFAOYSA-N 2 0 341.499 3.389 20 0 EGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1cc2ccccc2o1 ZINC000580202300 325217925 /nfs/dbraw/zinc/21/79/25/325217925.db2.gz WPGYSHIFTZVSIL-CABCVRRESA-N 2 0 343.471 3.059 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000580784403 325295657 /nfs/dbraw/zinc/29/56/57/325295657.db2.gz VEPIYHAOCPEHDY-DDWPSWQVSA-N 2 0 341.293 3.385 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000580932992 325310556 /nfs/dbraw/zinc/31/05/56/325310556.db2.gz XLADPTLDEKDDFN-IBGZPJMESA-N 2 0 327.472 3.033 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000581247982 325345995 /nfs/dbraw/zinc/34/59/95/325345995.db2.gz HVEQAWWUPGWWGE-WBVHZDCISA-N 2 0 333.520 3.256 20 0 EGADRP Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000581357594 325354673 /nfs/dbraw/zinc/35/46/73/325354673.db2.gz MVZIOPZCSONZCV-YVEFUNNKSA-N 2 0 346.475 3.287 20 0 EGADRP COc1ncccc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000581637438 325377565 /nfs/dbraw/zinc/37/75/65/325377565.db2.gz WWRVIKGNWUJITD-APWZRJJASA-N 2 0 331.504 3.265 20 0 EGADRP COc1ncccc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000581637440 325377569 /nfs/dbraw/zinc/37/75/69/325377569.db2.gz WWRVIKGNWUJITD-QFBILLFUSA-N 2 0 331.504 3.265 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173321754 455265597 /nfs/dbraw/zinc/26/55/97/455265597.db2.gz MCPUXSGLKVOXHF-HUUCEWRRSA-N 2 0 343.437 3.382 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575266 455334286 /nfs/dbraw/zinc/33/42/86/455334286.db2.gz HPSHPEBCRNMBCB-BDTNDASRSA-N 2 0 341.543 3.457 20 0 EGADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000181705101 455373799 /nfs/dbraw/zinc/37/37/99/455373799.db2.gz IJUPUGAWZIBNNM-LJQANCHMSA-N 2 0 331.548 3.360 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000081401620 453869071 /nfs/dbraw/zinc/86/90/71/453869071.db2.gz ZLKFIQDPUJCJKX-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000041822717 453980418 /nfs/dbraw/zinc/98/04/18/453980418.db2.gz XAMFOBMDOQIHAS-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP Cc1ccccc1CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000084677341 454005387 /nfs/dbraw/zinc/00/53/87/454005387.db2.gz XLVGQRIQVYDNFN-SFTDATJTSA-N 2 0 343.559 3.418 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C[NH+]1CCCCC1 ZINC000068206916 454007975 /nfs/dbraw/zinc/00/79/75/454007975.db2.gz SGGSRKXCDILWIW-SFHVURJKSA-N 2 0 343.515 3.134 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000056522298 454064373 /nfs/dbraw/zinc/06/43/73/454064373.db2.gz DTKMXYDMLMAFGU-KRWDZBQOSA-N 2 0 331.504 3.294 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056524166 454064601 /nfs/dbraw/zinc/06/46/01/454064601.db2.gz RCFMSLCYMXOPRB-INIZCTEOSA-N 2 0 331.504 3.240 20 0 EGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000182026306 455419508 /nfs/dbraw/zinc/41/95/08/455419508.db2.gz BPECLKVHGCYJAN-ULQDDVLXSA-N 2 0 347.503 3.185 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000130547888 454205365 /nfs/dbraw/zinc/20/53/65/454205365.db2.gz BLGQQPNEHKBVBO-MRXNPFEDSA-N 2 0 328.460 3.157 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000072744433 454335429 /nfs/dbraw/zinc/33/54/29/454335429.db2.gz NCNWGQTUTKYKGH-NRFANRHFSA-N 2 0 346.515 3.456 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000090937113 454352748 /nfs/dbraw/zinc/35/27/48/454352748.db2.gz CYRTVIIXOQSTFO-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP C[NH+](C)C1(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCCC1 ZINC000072969607 454373687 /nfs/dbraw/zinc/37/36/87/454373687.db2.gz IYXNISBTJOEAIG-UHFFFAOYSA-N 2 0 338.455 3.429 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000121382203 454428476 /nfs/dbraw/zinc/42/84/76/454428476.db2.gz WBZYZQKMXHIOIK-ZWKOTPCHSA-N 2 0 333.520 3.010 20 0 EGADRP C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)C1 ZINC000133640270 454449611 /nfs/dbraw/zinc/44/96/11/454449611.db2.gz YGLHHSUFKJHANG-CQSZACIVSA-N 2 0 345.830 3.351 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000121727694 454469893 /nfs/dbraw/zinc/46/98/93/454469893.db2.gz ZRTCJJBMBRBGTJ-IBGZPJMESA-N 2 0 329.532 3.158 20 0 EGADRP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121893479 454491120 /nfs/dbraw/zinc/49/11/20/454491120.db2.gz WZWKWSFIQOSFHJ-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000134563650 454560514 /nfs/dbraw/zinc/56/05/14/454560514.db2.gz JMPVINRBURNLNK-OXJNMPFZSA-N 2 0 329.488 3.389 20 0 EGADRP CN(c1ccccc1C[N@H+](C)C[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000092428267 454564576 /nfs/dbraw/zinc/56/45/76/454564576.db2.gz TYCFHGCUDQTIKR-FQEVSTJZSA-N 2 0 345.531 3.218 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000122792287 454569510 /nfs/dbraw/zinc/56/95/10/454569510.db2.gz KEVMTEGYVPVBIM-HZPDHXFCSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123181619 454611322 /nfs/dbraw/zinc/61/13/22/454611322.db2.gz OKVSSCADVQUIEK-GOSISDBHSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123394196 454631820 /nfs/dbraw/zinc/63/18/20/454631820.db2.gz NZDGTCZNRKLKTR-QGZVFWFLSA-N 2 0 331.504 3.092 20 0 EGADRP CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000123390731 454632118 /nfs/dbraw/zinc/63/21/18/454632118.db2.gz CUPWHPAWOCDVBB-FGTMMUONSA-N 2 0 345.531 3.169 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000051688367 454634983 /nfs/dbraw/zinc/63/49/83/454634983.db2.gz XUJSTOYVIMFJCZ-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120310 454635683 /nfs/dbraw/zinc/63/56/83/454635683.db2.gz IBNIBZSJTAINGA-SFHVURJKSA-N 2 0 332.488 3.416 20 0 EGADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnc2ccsc2c1 ZINC000635006049 460649640 /nfs/dbraw/zinc/64/96/40/460649640.db2.gz APHZLDSJMVMVGG-CYBMUJFWSA-N 2 0 339.468 3.274 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000162499601 454779368 /nfs/dbraw/zinc/77/93/68/454779368.db2.gz RSVXHBSGRRHLPE-OAQYLSRUSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000162590849 454786619 /nfs/dbraw/zinc/78/66/19/454786619.db2.gz QDWWDQQZBYONMF-SFHVURJKSA-N 2 0 338.499 3.037 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccccc1 ZINC000176939913 454801027 /nfs/dbraw/zinc/80/10/27/454801027.db2.gz VZEUNNLFCQTQSQ-IBGZPJMESA-N 2 0 340.471 3.165 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000125314028 454813802 /nfs/dbraw/zinc/81/38/02/454813802.db2.gz HVJGWMKFIYCZFS-AWEZNQCLSA-N 2 0 329.488 3.299 20 0 EGADRP COc1cc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000125349398 454816053 /nfs/dbraw/zinc/81/60/53/454816053.db2.gz JJQIRRRFSSWIHO-AWEZNQCLSA-N 2 0 336.476 3.095 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000153746144 454828247 /nfs/dbraw/zinc/82/82/47/454828247.db2.gz HUKSIJNESRJRLQ-MRXNPFEDSA-N 2 0 330.472 3.467 20 0 EGADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000177426501 454862178 /nfs/dbraw/zinc/86/21/78/454862178.db2.gz VYZDIIVUVNZLDJ-ROUUACIJSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933115 454869805 /nfs/dbraw/zinc/86/98/05/454869805.db2.gz ARUFQGYLPKFYLC-LVCYWYKZSA-N 3 0 329.532 3.491 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177525023 454872773 /nfs/dbraw/zinc/87/27/73/454872773.db2.gz ASSYVMVUHIPIEJ-CABCVRRESA-N 2 0 343.471 3.097 20 0 EGADRP CN(c1ccccc1C[NH2+]C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000177584513 454880504 /nfs/dbraw/zinc/88/05/04/454880504.db2.gz XMYCPJOYGHMKKB-LJQANCHMSA-N 2 0 347.547 3.104 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000164585747 454885164 /nfs/dbraw/zinc/88/51/64/454885164.db2.gz SVMQFZCKFOTYJF-QGZVFWFLSA-N 2 0 343.515 3.196 20 0 EGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1F ZINC000154394575 454892294 /nfs/dbraw/zinc/89/22/94/454892294.db2.gz JNBDUHJIKCZPQU-GOSISDBHSA-N 2 0 325.447 3.033 20 0 EGADRP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C(C)(C)O1 ZINC000165335648 454899377 /nfs/dbraw/zinc/89/93/77/454899377.db2.gz UPLFMLRPPVKDSB-MOPGFXCFSA-N 2 0 330.516 3.487 20 0 EGADRP CCOc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000126663975 454909644 /nfs/dbraw/zinc/90/96/44/454909644.db2.gz FITPQWPMSXVACL-HUUCEWRRSA-N 2 0 340.414 3.403 20 0 EGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126684743 454911425 /nfs/dbraw/zinc/91/14/25/454911425.db2.gz UXMQOVFLIQUUMT-FDDCHVKYSA-N 2 0 349.522 3.457 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000166645331 454914583 /nfs/dbraw/zinc/91/45/83/454914583.db2.gz IPDOIRPJKMCILY-LAUBAEHRSA-N 2 0 328.500 3.463 20 0 EGADRP [NH3+]CC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCCC1 ZINC000166675176 454914857 /nfs/dbraw/zinc/91/48/57/454914857.db2.gz FPNXPCDQZIKQKQ-UHFFFAOYSA-N 2 0 343.515 3.198 20 0 EGADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000150952825 454917409 /nfs/dbraw/zinc/91/74/09/454917409.db2.gz CTNRCADDZLAJIM-FQEVSTJZSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)N(C(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000154745348 454926013 /nfs/dbraw/zinc/92/60/13/454926013.db2.gz PMMDEXRHUZGZLR-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000154988431 454951231 /nfs/dbraw/zinc/95/12/31/454951231.db2.gz XKNUFWKBFWNJHW-BBRMVZONSA-N 2 0 339.936 3.102 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(C)o2)CC1 ZINC000151198310 454951927 /nfs/dbraw/zinc/95/19/27/454951927.db2.gz MHARVKXAMUUKOM-GOSISDBHSA-N 2 0 347.503 3.106 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc12 ZINC000127441826 454964383 /nfs/dbraw/zinc/96/43/83/454964383.db2.gz HFOPFSWCVXZYEI-DLBZAZTESA-N 2 0 341.499 3.135 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(OCC[NH+](C)C)c1 ZINC000151314445 454967803 /nfs/dbraw/zinc/96/78/03/454967803.db2.gz UEAOFKZIMRXFNC-QGZVFWFLSA-N 2 0 347.503 3.138 20 0 EGADRP O[C@H](CN[C@@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCCC1 ZINC000151346796 454971888 /nfs/dbraw/zinc/97/18/88/454971888.db2.gz GWPOACDVLYPEJW-MLGOLLRUSA-N 2 0 343.298 3.417 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178829045 454981717 /nfs/dbraw/zinc/98/17/17/454981717.db2.gz NNYPVKQLCNLUGG-UZLBHIALSA-N 2 0 343.515 3.236 20 0 EGADRP COc1ccc2cc([C@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)ccc2c1 ZINC000127794942 454998043 /nfs/dbraw/zinc/99/80/43/454998043.db2.gz GTSIWQNYRIBKCC-IRXDYDNUSA-N 2 0 341.499 3.135 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[NH+]1CCCCCC1 ZINC000115115768 454998610 /nfs/dbraw/zinc/99/86/10/454998610.db2.gz LZEQBJKMJLKGSG-MRXNPFEDSA-N 2 0 349.544 3.093 20 0 EGADRP CCSc1ccccc1[C@@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128033696 455020410 /nfs/dbraw/zinc/02/04/10/455020410.db2.gz IDXIGJFKEQPUOB-CVEARBPZSA-N 2 0 349.544 3.037 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)CCSc3ccccc3)C2)CC1 ZINC000155683786 455031193 /nfs/dbraw/zinc/03/11/93/455031193.db2.gz YCPWHHAPVYXAEE-RBUKOAKNSA-N 2 0 347.572 3.269 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128251900 455039426 /nfs/dbraw/zinc/03/94/26/455039426.db2.gz GJIFKCNSCDBAIC-OXQOHEQNSA-N 2 0 333.495 3.066 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128553835 455067378 /nfs/dbraw/zinc/06/73/78/455067378.db2.gz DTIPXMIQAHAIHZ-OAQYLSRUSA-N 2 0 331.548 3.261 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000152403124 455113274 /nfs/dbraw/zinc/11/32/74/455113274.db2.gz RQPZZWAGXFAPKM-CEXWTWQISA-N 2 0 344.547 3.002 20 0 EGADRP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000623657017 460663926 /nfs/dbraw/zinc/66/39/26/460663926.db2.gz HZAHFEGZSAIPOI-HNNXBMFYSA-N 2 0 330.451 3.048 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180170560 455143999 /nfs/dbraw/zinc/14/39/99/455143999.db2.gz PYJITEAZPIEGKJ-CRSSMBPESA-N 2 0 328.500 3.038 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000156857130 455153778 /nfs/dbraw/zinc/15/37/78/455153778.db2.gz RLLOJQRGGAENDG-RHSMWYFYSA-N 2 0 346.450 3.128 20 0 EGADRP C[C@@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000237356332 455177258 /nfs/dbraw/zinc/17/72/58/455177258.db2.gz SLHSIVLMJPXHOP-RBUKOAKNSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000245478292 455310674 /nfs/dbraw/zinc/31/06/74/455310674.db2.gz VFXUMMAPNKKEKF-QZTJIDSGSA-N 2 0 345.531 3.406 20 0 EGADRP CC(=O)c1ccc(NC(=O)CCN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000173635505 455320229 /nfs/dbraw/zinc/32/02/29/455320229.db2.gz YIGYBMYYSRUYIR-LJQANCHMSA-N 2 0 345.487 3.024 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccs1 ZINC000159157054 455356879 /nfs/dbraw/zinc/35/68/79/455356879.db2.gz CEJNJXJPTYRYPW-INIZCTEOSA-N 2 0 330.501 3.136 20 0 EGADRP OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828961 455388861 /nfs/dbraw/zinc/38/88/61/455388861.db2.gz ZVLTUJQPWFQIKS-DENIHFKCSA-N 2 0 349.478 3.141 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccsc1 ZINC000245928480 455401497 /nfs/dbraw/zinc/40/14/97/455401497.db2.gz XIAQPSJFCCSVGC-IAGOWNOFSA-N 2 0 337.533 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000245948264 455405087 /nfs/dbraw/zinc/40/50/87/455405087.db2.gz KWBFVLLPONNTRP-OXJNMPFZSA-N 2 0 344.478 3.359 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000182201986 455459440 /nfs/dbraw/zinc/45/94/40/455459440.db2.gz VOAVQSDOYHIZPF-HDICACEKSA-N 2 0 344.499 3.081 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289973 455464898 /nfs/dbraw/zinc/46/48/98/455464898.db2.gz XRYIHIUPTJLBJY-VQIMIIECSA-N 2 0 347.503 3.076 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000246298476 455466446 /nfs/dbraw/zinc/46/64/46/455466446.db2.gz NUECUSDUTCWCLV-WOJBJXKFSA-N 2 0 345.531 3.441 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328511 455471887 /nfs/dbraw/zinc/47/18/87/455471887.db2.gz KBRGWBJALUQWQW-YJBOKZPZSA-N 2 0 349.906 3.109 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246928166 455536087 /nfs/dbraw/zinc/53/60/87/455536087.db2.gz GZBYRQSVSMNDKB-RXVVDRJESA-N 3 0 347.547 3.227 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000247142863 455566233 /nfs/dbraw/zinc/56/62/33/455566233.db2.gz SJFQEXNMMIYOND-SQGPQFPESA-N 2 0 346.515 3.062 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247178218 455569200 /nfs/dbraw/zinc/56/92/00/455569200.db2.gz YZVCISVBAKLDBF-SJORKVTESA-N 2 0 327.476 3.038 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)c1sccc1C[NH+](C)C ZINC000268096574 455592022 /nfs/dbraw/zinc/59/20/22/455592022.db2.gz JZKVBKBWVDRABA-UHFFFAOYSA-N 2 0 325.522 3.052 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268152551 455603889 /nfs/dbraw/zinc/60/38/89/455603889.db2.gz RQIHPRXWAQHDMM-OAHLLOKOSA-N 2 0 337.533 3.052 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000247505923 455614474 /nfs/dbraw/zinc/61/44/74/455614474.db2.gz MSNQNVIHSPGMNJ-BTHPGYMESA-N 2 0 346.540 3.466 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(-c3ccccn3)c2)CCCO1 ZINC000277625361 455617343 /nfs/dbraw/zinc/61/73/43/455617343.db2.gz BSDHWAQFGJFRTB-GOSISDBHSA-N 2 0 339.483 3.339 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccsc1 ZINC000192518136 455635632 /nfs/dbraw/zinc/63/56/32/455635632.db2.gz RZQOJIOZKGIMKE-HKUYNNGSSA-N 2 0 345.512 3.121 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1Cl ZINC000247954130 455659495 /nfs/dbraw/zinc/65/94/95/455659495.db2.gz FIIARRFAZJGLCR-HIFRSBDPSA-N 2 0 328.859 3.367 20 0 EGADRP Cc1cccc(C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C2CC2)c1 ZINC000247962948 455661780 /nfs/dbraw/zinc/66/17/80/455661780.db2.gz GLYZDGUTSDPIJI-LEWJYISDSA-N 2 0 330.516 3.143 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc(OCC[NH+](C)C)c1 ZINC000271511945 455665808 /nfs/dbraw/zinc/66/58/08/455665808.db2.gz OCCVKCQSXBITMA-KDOFPFPSSA-N 2 0 328.460 3.078 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248003958 455669474 /nfs/dbraw/zinc/66/94/74/455669474.db2.gz KQFOZYSJXQPYDM-MPGHIAIKSA-N 2 0 349.906 3.392 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(OC(F)F)c1 ZINC000248009873 455670319 /nfs/dbraw/zinc/67/03/19/455670319.db2.gz LDHFQYUVVFTSKA-HOCLYGCPSA-N 2 0 342.430 3.176 20 0 EGADRP COC(=O)c1cc([C@H](C)N2CCC([NH+]3CCCCC3)CC2)oc1C ZINC000292481453 455674732 /nfs/dbraw/zinc/67/47/32/455674732.db2.gz ANNOKCRRUMNNFF-AWEZNQCLSA-N 2 0 334.460 3.386 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000268429245 455681274 /nfs/dbraw/zinc/68/12/74/455681274.db2.gz OMRBYMXNYAFTRF-UHFFFAOYSA-N 2 0 348.384 3.169 20 0 EGADRP Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000192736752 455681852 /nfs/dbraw/zinc/68/18/52/455681852.db2.gz BSZTUHCTBSPJGO-MRXNPFEDSA-N 2 0 338.565 3.169 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc2c(c1)CCO2 ZINC000271578252 455690579 /nfs/dbraw/zinc/69/05/79/455690579.db2.gz ZUXYYVYVANQCBE-UFYCRDLUSA-N 2 0 344.499 3.040 20 0 EGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)Cc1ccsc1 ZINC000192834769 455703654 /nfs/dbraw/zinc/70/36/54/455703654.db2.gz HVMIBMQWNXTXJV-GOSISDBHSA-N 2 0 337.577 3.417 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000192840080 455704392 /nfs/dbraw/zinc/70/43/92/455704392.db2.gz QZYPJHJRHOSFGU-YADHBBJMSA-N 2 0 343.559 3.404 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923176 455717687 /nfs/dbraw/zinc/71/76/87/455717687.db2.gz JMPALJXEOZTAKB-VXKWHMMOSA-N 2 0 338.495 3.356 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268892348 455720634 /nfs/dbraw/zinc/72/06/34/455720634.db2.gz PGTBBJVXYGKSSV-OALUTQOASA-N 2 0 345.531 3.294 20 0 EGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(SCC(F)F)cc1 ZINC000268946508 455740617 /nfs/dbraw/zinc/74/06/17/455740617.db2.gz BMVJVOKTZXQQND-ZDUSSCGKSA-N 2 0 344.471 3.151 20 0 EGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268988950 455755550 /nfs/dbraw/zinc/75/55/50/455755550.db2.gz MDLKJFQKJUVURO-OAHLLOKOSA-N 2 0 342.936 3.257 20 0 EGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000269003475 455759959 /nfs/dbraw/zinc/75/99/59/455759959.db2.gz PVOHNUYHTOZQFC-JTQLQIEISA-N 2 0 335.250 3.240 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000271802263 455766923 /nfs/dbraw/zinc/76/69/23/455766923.db2.gz XUGSYHMBXUWVDD-AZUAARDMSA-N 2 0 346.515 3.215 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)NC(C)(C)C ZINC000194017695 455792639 /nfs/dbraw/zinc/79/26/39/455792639.db2.gz YRRYZZKRTLOZHB-QGZVFWFLSA-N 2 0 345.531 3.311 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000252197331 455803616 /nfs/dbraw/zinc/80/36/16/455803616.db2.gz SOZGKUFAIKWFLF-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000269175736 455804021 /nfs/dbraw/zinc/80/40/21/455804021.db2.gz ILIUHMIGFBHVSE-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(C)c2)CC1 ZINC000601061947 460694820 /nfs/dbraw/zinc/69/48/20/460694820.db2.gz IOZKBVMUNVSDDI-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CCn1cc(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285406561 455838077 /nfs/dbraw/zinc/83/80/77/455838077.db2.gz CUMQFBWLHJHVEK-OAQYLSRUSA-N 2 0 338.499 3.044 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000186855599 455844556 /nfs/dbraw/zinc/84/45/56/455844556.db2.gz JREYLVSPLPEKGR-KVSKMBFKSA-N 2 0 334.479 3.429 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000186875564 455847080 /nfs/dbraw/zinc/84/70/80/455847080.db2.gz SYQWOZWHGTYIPU-JYWFKMLOSA-N 2 0 329.532 3.215 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000285485265 455855625 /nfs/dbraw/zinc/85/56/25/455855625.db2.gz CYDINWQYXKNAFD-OAQYLSRUSA-N 2 0 348.531 3.181 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000194563728 455858589 /nfs/dbraw/zinc/85/85/89/455858589.db2.gz KQFLLSKPOFPBSL-INIZCTEOSA-N 2 0 343.515 3.106 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000272177186 455867169 /nfs/dbraw/zinc/86/71/69/455867169.db2.gz JLRNKUMZNULMCT-LPHOPBHVSA-N 2 0 340.467 3.401 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc4occc4c3)CC2)CC1 ZINC000285549593 455867446 /nfs/dbraw/zinc/86/74/46/455867446.db2.gz UOPHTRXCSQKWQL-UHFFFAOYSA-N 2 0 327.472 3.081 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285556912 455869185 /nfs/dbraw/zinc/86/91/85/455869185.db2.gz RFPCNANFXPPQCQ-YIONKMFJSA-N 2 0 335.879 3.226 20 0 EGADRP CN(CCC[N@H+](C)CCc1nc2ccccc2n1C)Cc1ccco1 ZINC000285570571 455872395 /nfs/dbraw/zinc/87/23/95/455872395.db2.gz HYDRDUPEIVFMCO-UHFFFAOYSA-N 2 0 340.471 3.163 20 0 EGADRP c1cn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000285611730 455881689 /nfs/dbraw/zinc/88/16/89/455881689.db2.gz KHJKHKQEQDDCSA-PWRODBHTSA-N 2 0 338.499 3.164 20 0 EGADRP CCC[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272271691 455898409 /nfs/dbraw/zinc/89/84/09/455898409.db2.gz BOGPRVJTUZIYGO-AZUAARDMSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000285705788 455899988 /nfs/dbraw/zinc/89/99/88/455899988.db2.gz PHGURUUZJPXIRP-JKSUJKDBSA-N 2 0 345.487 3.323 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)CN1Cc1ccccc1 ZINC000187392672 455903821 /nfs/dbraw/zinc/90/38/21/455903821.db2.gz POGDMOIKMWBRJD-PKOBYXMFSA-N 2 0 348.494 3.368 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000272293551 455904830 /nfs/dbraw/zinc/90/48/30/455904830.db2.gz FOSLOBIRZFMOCH-JTDSTZFVSA-N 2 0 326.488 3.290 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307525 455909403 /nfs/dbraw/zinc/90/94/03/455909403.db2.gz IDFXZKZSRCJZRL-NLWGTHIKSA-N 2 0 345.531 3.134 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000296365923 455920096 /nfs/dbraw/zinc/92/00/96/455920096.db2.gz IZTUJEVZTKWXLK-JXKHTJAUSA-N 2 0 342.483 3.383 20 0 EGADRP CCC[NH2+]CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000261686083 455927229 /nfs/dbraw/zinc/92/72/29/455927229.db2.gz RDHYUSNUXRDIKZ-UHFFFAOYSA-N 2 0 339.483 3.048 20 0 EGADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000261685626 455927494 /nfs/dbraw/zinc/92/74/94/455927494.db2.gz BSYYPGXGPJEOOC-HNNXBMFYSA-N 2 0 338.455 3.215 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000280274053 455933155 /nfs/dbraw/zinc/93/31/55/455933155.db2.gz MECFJPBUCXANMF-JKSUJKDBSA-N 2 0 337.939 3.448 20 0 EGADRP CC[NH+](CC)CCSCC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000270347526 455933949 /nfs/dbraw/zinc/93/39/49/455933949.db2.gz AXUXISQMBVZAJK-UHFFFAOYSA-N 2 0 337.533 3.070 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000195225155 455934740 /nfs/dbraw/zinc/93/47/40/455934740.db2.gz HBHXTIUYSZAPEG-UHFFFAOYSA-N 2 0 346.519 3.476 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000261741215 455939814 /nfs/dbraw/zinc/93/98/14/455939814.db2.gz MQWYWKQPOVRHLH-AEFFLSMTSA-N 2 0 332.394 3.462 20 0 EGADRP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000261754197 455940364 /nfs/dbraw/zinc/94/03/64/455940364.db2.gz HNOUCTNNBKSTCD-IBGZPJMESA-N 2 0 343.515 3.069 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(C)c1OC ZINC000286002664 455958028 /nfs/dbraw/zinc/95/80/28/455958028.db2.gz HQCGLWIKAUEGMZ-HNNXBMFYSA-N 2 0 334.504 3.265 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000270492055 455968638 /nfs/dbraw/zinc/96/86/38/455968638.db2.gz ATJYLISKVOTFMB-QGZVFWFLSA-N 2 0 333.495 3.377 20 0 EGADRP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)[C@H]3CCOC[C@@H]23)cc1 ZINC000286059543 455970617 /nfs/dbraw/zinc/97/06/17/455970617.db2.gz RLGKVHBKURRKKB-ACRUOGEOSA-N 2 0 328.500 3.367 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261983537 455981279 /nfs/dbraw/zinc/98/12/79/455981279.db2.gz RPAIZEHKFLRPFI-WCQYABFASA-N 2 0 338.377 3.265 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3cccc(F)c3)CC2)CC1 ZINC000272530033 455984199 /nfs/dbraw/zinc/98/41/99/455984199.db2.gz QSNAZQSKBNVJFN-UHFFFAOYSA-N 2 0 347.522 3.249 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262013932 455984894 /nfs/dbraw/zinc/98/48/94/455984894.db2.gz WSGIGWVRCIMRBG-NEPJUHHUSA-N 2 0 344.286 3.381 20 0 EGADRP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000262022054 455986666 /nfs/dbraw/zinc/98/66/66/455986666.db2.gz WGTJXDKTYIMMQF-YSIASYRMSA-N 2 0 336.483 3.409 20 0 EGADRP C[NH2+][C@@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000262063070 455991848 /nfs/dbraw/zinc/99/18/48/455991848.db2.gz RHGYUUGSRNKBOX-CQSZACIVSA-N 2 0 338.377 3.075 20 0 EGADRP Cc1noc(C)c1CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272559488 455994152 /nfs/dbraw/zinc/99/41/52/455994152.db2.gz UGFKTQUEBDTLSS-DNVCBOLYSA-N 2 0 327.472 3.334 20 0 EGADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623756861 460706539 /nfs/dbraw/zinc/70/65/39/460706539.db2.gz IFCOJHQICUSHHH-JYJNAYRXSA-N 2 0 337.870 3.274 20 0 EGADRP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000272589293 456005799 /nfs/dbraw/zinc/00/57/99/456005799.db2.gz XAGVXBFGHXERQA-APWZRJJASA-N 2 0 325.456 3.090 20 0 EGADRP [NH3+]Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)co1 ZINC000188136749 456006316 /nfs/dbraw/zinc/00/63/16/456006316.db2.gz IDRKODQTIHTTBP-UHFFFAOYSA-N 2 0 327.428 3.367 20 0 EGADRP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCCC1 ZINC000272608842 456012694 /nfs/dbraw/zinc/01/26/94/456012694.db2.gz VSVRRUZENPWLBV-QHAWAJNXSA-N 2 0 342.527 3.429 20 0 EGADRP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272633988 456020233 /nfs/dbraw/zinc/02/02/33/456020233.db2.gz BJYXKMCRMNAHLK-OYNPSCLESA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272633991 456020655 /nfs/dbraw/zinc/02/06/55/456020655.db2.gz BJYXKMCRMNAHLK-ZIBCJSCZSA-N 2 0 330.516 3.285 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272670622 456034139 /nfs/dbraw/zinc/03/41/39/456034139.db2.gz KJTUVIGVVPRSRQ-BHDDXSALSA-N 3 0 339.527 3.139 20 0 EGADRP CC[N@H+](CCCC1CC[NH+](Cc2ccno2)CC1)Cc1ccno1 ZINC000270826431 456047976 /nfs/dbraw/zinc/04/79/76/456047976.db2.gz IFJRTLBCTXNWLA-UHFFFAOYSA-N 2 0 332.448 3.177 20 0 EGADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272730676 456054783 /nfs/dbraw/zinc/05/47/83/456054783.db2.gz IJVZIFXBNRRKHN-XLIONFOSSA-N 2 0 339.483 3.198 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263305516 456122537 /nfs/dbraw/zinc/12/25/37/456122537.db2.gz XTLULEFFQRVJNA-LXZJYRNTSA-N 2 0 335.536 3.007 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000273024474 456149552 /nfs/dbraw/zinc/14/95/52/456149552.db2.gz XGNVHYSSAVGFOS-LAUBAEHRSA-N 2 0 340.442 3.169 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333091156 456158368 /nfs/dbraw/zinc/15/83/68/456158368.db2.gz CLGHEFIOYKVIRK-UZLBHIALSA-N 2 0 328.456 3.460 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000236637426 456161316 /nfs/dbraw/zinc/16/13/16/456161316.db2.gz FRGMCJWNPJICNJ-FQEVSTJZSA-N 2 0 329.488 3.389 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236818842 456187194 /nfs/dbraw/zinc/18/71/94/456187194.db2.gz KGLRAIJRCDFNIB-IBGZPJMESA-N 2 0 331.504 3.196 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000236995379 456216939 /nfs/dbraw/zinc/21/69/39/456216939.db2.gz XPOYUQLWDUUAIR-RTBURBONSA-N 2 0 331.504 3.164 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)CC1 ZINC000237089956 456230487 /nfs/dbraw/zinc/23/04/87/456230487.db2.gz QPLZYBBNZQCVIK-UHFFFAOYSA-N 2 0 348.494 3.205 20 0 EGADRP CC(C)c1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)nc(C(C)C)n1 ZINC000333711662 456252521 /nfs/dbraw/zinc/25/25/21/456252521.db2.gz SKGGHMMFBOPCEM-QFBILLFUSA-N 2 0 346.519 3.446 20 0 EGADRP CC(C)c1nc(NC2CCC([NH+]3CCCCC3)CC2)nc(N(C)C)n1 ZINC000301948049 456257468 /nfs/dbraw/zinc/25/74/68/456257468.db2.gz HTOBPWLKCIRQQN-UHFFFAOYSA-N 2 0 346.523 3.270 20 0 EGADRP CC(C)n1cc([C@@H](C)NCc2ccncc2OCCC[NH+](C)C)cn1 ZINC000290205387 456266069 /nfs/dbraw/zinc/26/60/69/456266069.db2.gz GYFIVCNRLSPGSH-MRXNPFEDSA-N 2 0 345.491 3.040 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000302062430 456277764 /nfs/dbraw/zinc/27/77/64/456277764.db2.gz VXELNRGQOYBILH-UUAJXVIYSA-N 2 0 339.524 3.093 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000302069771 456279940 /nfs/dbraw/zinc/27/99/40/456279940.db2.gz VKWCROKKOCVZPI-OAHLLOKOSA-N 2 0 326.488 3.153 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nn1C ZINC000342869434 456284657 /nfs/dbraw/zinc/28/46/57/456284657.db2.gz XZQPWKUFZOSIHW-UHFFFAOYSA-N 2 0 338.499 3.217 20 0 EGADRP Cc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000342872016 456286575 /nfs/dbraw/zinc/28/65/75/456286575.db2.gz BFIYXAPLEISJIF-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP C[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340190621 456302256 /nfs/dbraw/zinc/30/22/56/456302256.db2.gz IVLSKAJOSAJTHK-LEWJYISDSA-N 2 0 327.516 3.286 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000347685643 456305438 /nfs/dbraw/zinc/30/54/38/456305438.db2.gz HRTFICPJASGILO-MSOLQXFVSA-N 2 0 340.556 3.057 20 0 EGADRP Cc1ccc2[nH+]ccc(N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)c2c1 ZINC000302178967 456307709 /nfs/dbraw/zinc/30/77/09/456307709.db2.gz YLMNBFDWQDABSU-INIZCTEOSA-N 2 0 325.456 3.233 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H](O)c1ccccc1 ZINC000290387924 456312903 /nfs/dbraw/zinc/31/29/03/456312903.db2.gz SCGYETIBRZKPON-FVJLSDCUSA-N 2 0 342.483 3.400 20 0 EGADRP COCCSCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352828810 456342906 /nfs/dbraw/zinc/34/29/06/456342906.db2.gz DWZANDWIOQQZIE-HXUWFJFHSA-N 2 0 348.556 3.354 20 0 EGADRP COCCSCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352828808 456343933 /nfs/dbraw/zinc/34/39/33/456343933.db2.gz DWZANDWIOQQZIE-FQEVSTJZSA-N 2 0 348.556 3.354 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000337561760 456381940 /nfs/dbraw/zinc/38/19/40/456381940.db2.gz NOPWBAWOBMHLMP-YXWAVELNSA-N 2 0 335.536 3.019 20 0 EGADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl ZINC000298244093 456402254 /nfs/dbraw/zinc/40/22/54/456402254.db2.gz CQPBBQJOWISMHJ-KRWDZBQOSA-N 2 0 349.837 3.166 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC000347866605 456415027 /nfs/dbraw/zinc/41/50/27/456415027.db2.gz PKRWOYGYYPMQBQ-XLIONFOSSA-N 2 0 334.504 3.154 20 0 EGADRP CCC(O)(CC)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000276288851 456435693 /nfs/dbraw/zinc/43/56/93/456435693.db2.gz YDAMRTUZQJWBDH-UHFFFAOYSA-N 2 0 347.547 3.248 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000282191622 456438837 /nfs/dbraw/zinc/43/88/37/456438837.db2.gz NIZTUVQZVYGVKP-DZFGPLHGSA-N 2 0 346.515 3.202 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000340476054 456483081 /nfs/dbraw/zinc/48/30/81/456483081.db2.gz GPGGZDCOGBFIKV-IOJLRTSASA-N 2 0 327.516 3.256 20 0 EGADRP O=C1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2cc(F)ccc2N1 ZINC000340478073 456484349 /nfs/dbraw/zinc/48/43/49/456484349.db2.gz ZQOFAMRCJWHDTK-KRWDZBQOSA-N 2 0 333.451 3.455 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000298613071 456500606 /nfs/dbraw/zinc/50/06/06/456500606.db2.gz OJFQIIMFZZLPFW-UIBIWLFHSA-N 2 0 340.471 3.219 20 0 EGADRP CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000305095725 456524741 /nfs/dbraw/zinc/52/47/41/456524741.db2.gz SDSRTXMZXONUQM-LAUBAEHRSA-N 2 0 347.547 3.104 20 0 EGADRP CSC1(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)CC[NH+](C)CC1 ZINC000353205831 456559290 /nfs/dbraw/zinc/55/92/90/456559290.db2.gz FHEWGDSAQCQRAS-CYBMUJFWSA-N 2 0 339.574 3.185 20 0 EGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000310184424 456579514 /nfs/dbraw/zinc/57/95/14/456579514.db2.gz YCHJPLDHJPNMDS-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP CCn1cc(CC[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)cn1 ZINC000348320988 456620354 /nfs/dbraw/zinc/62/03/54/456620354.db2.gz QQOWGNLUGALHAI-UHFFFAOYSA-N 2 0 332.536 3.280 20 0 EGADRP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282800007 456629306 /nfs/dbraw/zinc/62/93/06/456629306.db2.gz NAWJLFQAYXSPCC-QGZVFWFLSA-N 2 0 326.488 3.169 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCOCC1 ZINC000277021801 456656174 /nfs/dbraw/zinc/65/61/74/456656174.db2.gz MZUUOGFMTQOROY-GOSISDBHSA-N 2 0 346.515 3.346 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1F ZINC000348383382 456658476 /nfs/dbraw/zinc/65/84/76/456658476.db2.gz PDNGIDYBDYUOBC-ZFWWWQNUSA-N 2 0 334.357 3.087 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353387317 456665887 /nfs/dbraw/zinc/66/58/87/456665887.db2.gz OKUMGCWSCZEFDQ-UHFFFAOYSA-N 2 0 341.293 3.420 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000338170987 456681496 /nfs/dbraw/zinc/68/14/96/456681496.db2.gz CASTZOKUVWUFSA-INIZCTEOSA-N 2 0 333.520 3.235 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC(F)F ZINC000326784249 456698894 /nfs/dbraw/zinc/69/88/94/456698894.db2.gz OHUCWFYRYMAHPC-KSSFIOAISA-N 2 0 340.414 3.248 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000338238608 456725699 /nfs/dbraw/zinc/72/56/99/456725699.db2.gz UBNRENRRSJZTOO-PMACEKPBSA-N 2 0 338.536 3.364 20 0 EGADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343586237 456726457 /nfs/dbraw/zinc/72/64/57/456726457.db2.gz YYPTXQQMMJBUFK-IEBWSBKVSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000283210301 456737012 /nfs/dbraw/zinc/73/70/12/456737012.db2.gz GZVZDCCSTITFFW-NRFANRHFSA-N 2 0 329.532 3.452 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000299593922 456737479 /nfs/dbraw/zinc/73/74/79/456737479.db2.gz LJLXXIGZHBPVFF-UHFFFAOYSA-N 2 0 343.515 3.227 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)C1(C(=O)OC)CCC1 ZINC000353538734 456744047 /nfs/dbraw/zinc/74/40/47/456744047.db2.gz UZDZWCWIQFGONT-GOSISDBHSA-N 2 0 332.488 3.350 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cc1)C(C)C ZINC000299621786 456747087 /nfs/dbraw/zinc/74/70/87/456747087.db2.gz DWYLWHJGEBGZLY-WOJBJXKFSA-N 2 0 343.515 3.274 20 0 EGADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353549000 456750904 /nfs/dbraw/zinc/75/09/04/456750904.db2.gz CZEIQWFVSDFZBQ-RTWAWAEBSA-N 2 0 346.490 3.444 20 0 EGADRP CSc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277285993 456760652 /nfs/dbraw/zinc/76/06/52/456760652.db2.gz SQRLDMRENMMRPP-HOCLYGCPSA-N 2 0 335.517 3.152 20 0 EGADRP CSC1(C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)CC[NH+](C)CC1 ZINC000353606963 456798458 /nfs/dbraw/zinc/79/84/58/456798458.db2.gz FSJSUZUTSBTXRV-JKSUJKDBSA-N 2 0 328.566 3.243 20 0 EGADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353616515 456806561 /nfs/dbraw/zinc/80/65/61/456806561.db2.gz AVSSHVYQKVNQPK-CEWLAPEOSA-N 2 0 338.499 3.499 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC000353627063 456812810 /nfs/dbraw/zinc/81/28/10/456812810.db2.gz JSEHQBVPFBUPPO-AWEZNQCLSA-N 2 0 338.517 3.182 20 0 EGADRP COC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000353632361 456817496 /nfs/dbraw/zinc/81/74/96/456817496.db2.gz SHGCJCMIRBPDIR-INIZCTEOSA-N 2 0 342.936 3.445 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)[NH+]1CCCCC1 ZINC000292004905 456826305 /nfs/dbraw/zinc/82/63/05/456826305.db2.gz BAZVOLNEWRDLAC-IRXDYDNUSA-N 2 0 331.504 3.304 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CCC[N@H+](C)CC3)c2cc1OCC ZINC000301234548 456829440 /nfs/dbraw/zinc/82/94/40/456829440.db2.gz LCHBUNQBBXBODP-UHFFFAOYSA-N 2 0 329.444 3.174 20 0 EGADRP CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000341276412 456829934 /nfs/dbraw/zinc/82/99/34/456829934.db2.gz ZUVMDECGQUWSDW-NQIIRXRSSA-N 2 0 345.531 3.122 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000292196520 456881958 /nfs/dbraw/zinc/88/19/58/456881958.db2.gz XWVFTLQZQRTIQA-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)C[C@@H]1C ZINC000353751980 456890307 /nfs/dbraw/zinc/89/03/07/456890307.db2.gz QYCKBDXBIKYCEM-YJBOKZPZSA-N 2 0 329.492 3.317 20 0 EGADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000353758158 456893917 /nfs/dbraw/zinc/89/39/17/456893917.db2.gz WAQUZXJYOUGYBX-VQIMIIECSA-N 2 0 331.504 3.273 20 0 EGADRP CCc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000339015474 456902257 /nfs/dbraw/zinc/90/22/57/456902257.db2.gz XKUXEIRROYBBHB-HDICACEKSA-N 2 0 345.531 3.355 20 0 EGADRP Cc1nc(C(C)C)ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000339044909 456913967 /nfs/dbraw/zinc/91/39/67/456913967.db2.gz QAQQRUFPEFSWTA-YSIASYRMSA-N 2 0 331.504 3.197 20 0 EGADRP CC[N@H+](CCOc1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345196109 456963697 /nfs/dbraw/zinc/96/36/97/456963697.db2.gz DCYHIYFXNBDKHD-OAHLLOKOSA-N 2 0 341.293 3.292 20 0 EGADRP CCOC(=O)c1coc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000353933851 456970893 /nfs/dbraw/zinc/97/08/93/456970893.db2.gz WRKDDDTXNSYWOP-IYBDPMFKSA-N 2 0 336.476 3.304 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000349468077 456973863 /nfs/dbraw/zinc/97/38/63/456973863.db2.gz YEKSKGRBBPATIY-OXJNMPFZSA-N 2 0 333.520 3.292 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000341891167 456989035 /nfs/dbraw/zinc/98/90/35/456989035.db2.gz HMRBTFZGERYSLN-IBGZPJMESA-N 2 0 338.499 3.253 20 0 EGADRP CCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986163 456989709 /nfs/dbraw/zinc/98/97/09/456989709.db2.gz HGCWZTGONNGAAP-PKOBYXMFSA-N 2 0 333.520 3.152 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)cc1 ZINC000345931493 457007178 /nfs/dbraw/zinc/00/71/78/457007178.db2.gz WJAVQYPTRULLPM-ROUUACIJSA-N 2 0 345.531 3.473 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC000345973743 457009361 /nfs/dbraw/zinc/00/93/61/457009361.db2.gz BKDSARFFOFWPHW-BHIYHBOVSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1 ZINC000354017036 457012675 /nfs/dbraw/zinc/01/26/75/457012675.db2.gz GLDWNLCFQQJGOX-UHFFFAOYSA-N 2 0 344.547 3.018 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000354025789 457017537 /nfs/dbraw/zinc/01/75/37/457017537.db2.gz JKIKJIMNYRUAJD-UHFFFAOYSA-N 2 0 344.499 3.285 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362663746 457033947 /nfs/dbraw/zinc/03/39/47/457033947.db2.gz MANJJPZBCWXFOK-SCTDSRPQSA-N 2 0 343.515 3.226 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000354078289 457047779 /nfs/dbraw/zinc/04/77/79/457047779.db2.gz PQPRPJOPXVNKLF-LJQANCHMSA-N 2 0 345.462 3.307 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+](CC)CC ZINC000359152248 457061093 /nfs/dbraw/zinc/06/10/93/457061093.db2.gz BUOYDPYOIBAHLS-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)[C@H](C)C1 ZINC000346603960 457073294 /nfs/dbraw/zinc/07/32/94/457073294.db2.gz IURMKRMZRYQQAY-QFUCXCTJSA-N 2 0 330.516 3.443 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc(N3CCCCC3)ncn2)C1 ZINC000359468364 457086315 /nfs/dbraw/zinc/08/63/15/457086315.db2.gz VNVOYUMWXNYULN-KSZLIROESA-N 2 0 343.519 3.309 20 0 EGADRP CC(C)OCC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000349881063 457092117 /nfs/dbraw/zinc/09/21/17/457092117.db2.gz LHVWOZNCEPWKEF-QUCCMNQESA-N 2 0 340.552 3.139 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCCOCC2)CC1 ZINC000356670464 457112041 /nfs/dbraw/zinc/11/20/41/457112041.db2.gz GDBJESUJNMQAPA-WMZOPIPTSA-N 2 0 349.494 3.187 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000339431992 457115151 /nfs/dbraw/zinc/11/51/51/457115151.db2.gz KPXDUFBVMAQMDE-IBGZPJMESA-N 2 0 329.488 3.484 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000354205486 457129854 /nfs/dbraw/zinc/12/98/54/457129854.db2.gz HASABEFGFXOXLV-QXAKKESOSA-N 2 0 330.520 3.138 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219768 457137677 /nfs/dbraw/zinc/13/76/77/457137677.db2.gz DICVXNTWQPQUMK-MSOLQXFVSA-N 2 0 331.504 3.355 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356766044 457158071 /nfs/dbraw/zinc/15/80/71/457158071.db2.gz AKJWLLSFHFBJAG-KRWDZBQOSA-N 2 0 331.504 3.131 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1)CC1CC1 ZINC000356894877 457203733 /nfs/dbraw/zinc/20/37/33/457203733.db2.gz OCGWLFQRTCRCNG-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(OC(F)F)c1 ZINC000347091457 457224244 /nfs/dbraw/zinc/22/42/44/457224244.db2.gz FNWQSQHVZALFLE-INIZCTEOSA-N 2 0 340.414 3.261 20 0 EGADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000331767217 457247098 /nfs/dbraw/zinc/24/70/98/457247098.db2.gz HANAIXIMUDZWJP-FHLIZLRMSA-N 2 0 347.528 3.275 20 0 EGADRP C[C@@H](C1CCC1)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357030976 457287577 /nfs/dbraw/zinc/28/75/77/457287577.db2.gz YMNLUIGGOHJMCA-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000357060282 457303830 /nfs/dbraw/zinc/30/38/30/457303830.db2.gz XUJWNJZNANUPDQ-CQSZACIVSA-N 2 0 340.414 3.118 20 0 EGADRP CSc1ccccc1NC(=O)CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357074711 457308871 /nfs/dbraw/zinc/30/88/71/457308871.db2.gz ILGXJOGZLHRXAA-MRXNPFEDSA-N 2 0 347.528 3.059 20 0 EGADRP COCCSCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352440515 457368349 /nfs/dbraw/zinc/36/83/49/457368349.db2.gz OVHCIBFZRXGBEW-VQTJNVASSA-N 2 0 348.556 3.210 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379674385 457417868 /nfs/dbraw/zinc/41/78/68/457417868.db2.gz UGRLTJVDIJIJHU-IHPCNDPISA-N 2 0 345.531 3.167 20 0 EGADRP c1ccc(C[N@@H+]2CCCO[C@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000390857638 457447461 /nfs/dbraw/zinc/44/74/61/457447461.db2.gz LFNOYISQTPLBSI-LJQANCHMSA-N 2 0 347.462 3.360 20 0 EGADRP CC(C)n1ncc2cc(C[N@H+](CCC[NH3+])CC3CCCC3)cnc21 ZINC000352546744 457456595 /nfs/dbraw/zinc/45/65/95/457456595.db2.gz ZSQJMRCZCZENRI-UHFFFAOYSA-N 2 0 329.492 3.353 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000393893077 457470173 /nfs/dbraw/zinc/47/01/73/457470173.db2.gz SLTDUMAVQGYACZ-DLBZAZTESA-N 2 0 339.524 3.144 20 0 EGADRP Cc1nc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000360999681 457500205 /nfs/dbraw/zinc/50/02/05/457500205.db2.gz VINNAULLONYCEX-AWEZNQCLSA-N 2 0 333.501 3.285 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400466358 457517058 /nfs/dbraw/zinc/51/70/58/457517058.db2.gz WCQARKDLXCOPHN-DOTOQJQBSA-N 2 0 339.524 3.238 20 0 EGADRP Cc1nccn1CCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347579618 457522280 /nfs/dbraw/zinc/52/22/80/457522280.db2.gz JZTNOQPVFGQMQX-ZWKOTPCHSA-N 2 0 326.488 3.176 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400975796 457522640 /nfs/dbraw/zinc/52/26/40/457522640.db2.gz RPXWUJNGMXSXOY-MHTWAQMVSA-N 2 0 341.543 3.265 20 0 EGADRP CCOC1CC([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1 ZINC000342801747 457533127 /nfs/dbraw/zinc/53/31/27/457533127.db2.gz FWFUBXCWIPJHGI-FAEJEUNOSA-N 2 0 349.494 3.186 20 0 EGADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000374255486 457548025 /nfs/dbraw/zinc/54/80/25/457548025.db2.gz RDCUUFADIQBZMU-TZIWHRDSSA-N 2 0 329.532 3.070 20 0 EGADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000361112727 457588182 /nfs/dbraw/zinc/58/81/82/457588182.db2.gz VTSOKHRPWZDHDX-IRXDYDNUSA-N 2 0 343.515 3.270 20 0 EGADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000361113673 457589172 /nfs/dbraw/zinc/58/91/72/457589172.db2.gz NDGIDZMDTUHBBA-UHFFFAOYSA-N 2 0 336.863 3.091 20 0 EGADRP C[C@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1cncc(F)c1)c1cncc(F)c1 ZINC000361119426 457593436 /nfs/dbraw/zinc/59/34/36/457593436.db2.gz ISFRXCPLJSGQFS-NMEQGOOXSA-N 2 0 332.398 3.312 20 0 EGADRP CCn1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000364444139 457605574 /nfs/dbraw/zinc/60/55/74/457605574.db2.gz VJIJXLJTTJKTIH-UHFFFAOYSA-N 2 0 338.499 3.391 20 0 EGADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000361173108 457628615 /nfs/dbraw/zinc/62/86/15/457628615.db2.gz AHXIBOVJOGWHPQ-AZUAARDMSA-N 2 0 345.531 3.259 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000357680832 457653747 /nfs/dbraw/zinc/65/37/47/457653747.db2.gz FOJXPBDKAMMMAX-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000425933516 457653996 /nfs/dbraw/zinc/65/39/96/457653996.db2.gz VADDSXNEKPVBII-UZLBHIALSA-N 2 0 327.472 3.161 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCc3nc[nH]c32)c1 ZINC000370535689 457668296 /nfs/dbraw/zinc/66/82/96/457668296.db2.gz LFGXLIVEEAUJOZ-MRXNPFEDSA-N 2 0 326.444 3.310 20 0 EGADRP CCc1ccc([C@H](CC)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370633367 457687428 /nfs/dbraw/zinc/68/74/28/457687428.db2.gz HBGZHNJOVPYLQI-CTNGQTDRSA-N 2 0 329.532 3.458 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370634665 457688074 /nfs/dbraw/zinc/68/80/74/457688074.db2.gz MHWGUXOYJAFLJQ-PKOBYXMFSA-N 2 0 345.531 3.295 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000370654306 457692150 /nfs/dbraw/zinc/69/21/50/457692150.db2.gz YFTRIHMFAJOPSI-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000357882366 457722276 /nfs/dbraw/zinc/72/22/76/457722276.db2.gz XLKVBQJERFROGI-PXNSSMCTSA-N 2 0 345.531 3.223 20 0 EGADRP Cc1ccccc1[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)C ZINC000433128516 457762646 /nfs/dbraw/zinc/76/26/46/457762646.db2.gz WYHIYKCPWNBRNV-FQEVSTJZSA-N 2 0 331.504 3.012 20 0 EGADRP CCc1ccc([C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C(C)C)cc1 ZINC000433146707 457766013 /nfs/dbraw/zinc/76/60/13/457766013.db2.gz WHGQJFCTCKYNHL-NRFANRHFSA-N 2 0 345.531 3.266 20 0 EGADRP CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000375088171 457786414 /nfs/dbraw/zinc/78/64/14/457786414.db2.gz QEUAGZAAYQQGJJ-HUUCEWRRSA-N 2 0 336.549 3.086 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000361611553 457804187 /nfs/dbraw/zinc/80/41/87/457804187.db2.gz SOODPTZAVDRXEF-MJGOQNOKSA-N 2 0 343.515 3.237 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1O ZINC000426367963 457812516 /nfs/dbraw/zinc/81/25/16/457812516.db2.gz ZNCQOESVGFLIBG-MRXNPFEDSA-N 2 0 334.504 3.434 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411176495 457822430 /nfs/dbraw/zinc/82/24/30/457822430.db2.gz TVSWXSLFCGYVDI-UHFFFAOYSA-N 3 0 329.532 3.446 20 0 EGADRP O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411243553 457840209 /nfs/dbraw/zinc/84/02/09/457840209.db2.gz SXTSNYIXZDLUGD-UHFFFAOYSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccnc2ccncc21 ZINC000444077882 457848501 /nfs/dbraw/zinc/84/85/01/457848501.db2.gz UNBLGHJSIWSSRY-LPHOPBHVSA-N 2 0 332.451 3.374 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000371295041 457852658 /nfs/dbraw/zinc/85/26/58/457852658.db2.gz OIWIUACVOGXNFK-BRWVUGGUSA-N 2 0 342.405 3.389 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc(C(F)(F)F)c1 ZINC000371301179 457855004 /nfs/dbraw/zinc/85/50/04/457855004.db2.gz SPIZRRALZUHLPA-BRWVUGGUSA-N 2 0 342.405 3.389 20 0 EGADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c2ccccc2n1 ZINC000371299493 457855448 /nfs/dbraw/zinc/85/54/48/457855448.db2.gz HNXWEMZJRDEFGV-IOMROCGXSA-N 2 0 339.483 3.227 20 0 EGADRP CC(C)CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000411488605 457900731 /nfs/dbraw/zinc/90/07/31/457900731.db2.gz LLAYHVVSKAZBOE-GOSISDBHSA-N 2 0 339.568 3.416 20 0 EGADRP CCc1ccccc1CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000444601474 457915887 /nfs/dbraw/zinc/91/58/87/457915887.db2.gz DXHFITLGBYJCQA-UHFFFAOYSA-N 2 0 330.516 3.226 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCO[C@H]2CCCCO2)CC1)CC1CC1 ZINC000444677107 457935214 /nfs/dbraw/zinc/93/52/14/457935214.db2.gz VMGYGXOATMLYIT-FQEVSTJZSA-N 2 0 338.536 3.364 20 0 EGADRP O[C@]1(C[NH2+][C@@H]2CCc3c2cccc3F)CCN(Cc2ccccc2)C1 ZINC000361891504 457935351 /nfs/dbraw/zinc/93/53/51/457935351.db2.gz HZVDLXABAKBFEH-RTWAWAEBSA-N 2 0 340.442 3.040 20 0 EGADRP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000411689630 457951321 /nfs/dbraw/zinc/95/13/21/457951321.db2.gz DSXFTJYQHVCFDX-WAPOTWQKSA-N 2 0 340.552 3.401 20 0 EGADRP CCN(C)c1ccc(CNc2nc3ccc(F)cc3n2CC)cn1 ZINC000358376097 457962418 /nfs/dbraw/zinc/96/24/18/457962418.db2.gz GZJAZOSJBHSCHO-UHFFFAOYSA-N 2 0 327.407 3.080 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361971285 457986375 /nfs/dbraw/zinc/98/63/75/457986375.db2.gz LFFIZJJRNKAXRW-NUEKZKHPSA-N 2 0 329.488 3.440 20 0 EGADRP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC000367894285 457992532 /nfs/dbraw/zinc/99/25/32/457992532.db2.gz CESSXFYIKXMSCS-HZPDHXFCSA-N 2 0 334.426 3.341 20 0 EGADRP COC(=O)c1coc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000375663253 458010930 /nfs/dbraw/zinc/01/09/30/458010930.db2.gz JFAQIVIRZGRFLD-WBVHZDCISA-N 2 0 342.439 3.239 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644109 458027319 /nfs/dbraw/zinc/02/73/19/458027319.db2.gz TVTGUNAADMBYKL-HXUWFJFHSA-N 2 0 349.482 3.444 20 0 EGADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1-c1ccccc1 ZINC000358522253 458055319 /nfs/dbraw/zinc/05/53/19/458055319.db2.gz ZUBAYUVIXXJGLI-UHFFFAOYSA-N 2 0 349.478 3.368 20 0 EGADRP CC[N@H+](C)CCN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101094 /nfs/dbraw/zinc/10/10/94/458101094.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 2 0 329.532 3.219 20 0 EGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000435381935 458131055 /nfs/dbraw/zinc/13/10/55/458131055.db2.gz WTBUQKSZWXIRDW-HNNXBMFYSA-N 2 0 342.487 3.094 20 0 EGADRP FC(F)CN1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000358687070 458150752 /nfs/dbraw/zinc/15/07/52/458150752.db2.gz SZJZLSCKMYIQFG-UHFFFAOYSA-N 2 0 329.479 3.103 20 0 EGADRP CC[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435624326 458176983 /nfs/dbraw/zinc/17/69/83/458176983.db2.gz JAPJKSWFWSJPAZ-QUCCMNQESA-N 2 0 343.515 3.034 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000362523877 458243266 /nfs/dbraw/zinc/24/32/66/458243266.db2.gz WOSMKHQXNBVBTO-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ncc(Br)s1 ZINC000447566493 458312790 /nfs/dbraw/zinc/31/27/90/458312790.db2.gz UCGNFPJXQLWJJX-SNVBAGLBSA-N 2 0 344.322 3.431 20 0 EGADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000447603264 458321184 /nfs/dbraw/zinc/32/11/84/458321184.db2.gz WZGXYOMTPCGVTN-HXUWFJFHSA-N 2 0 330.472 3.467 20 0 EGADRP CCN(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1C ZINC000459380761 458351278 /nfs/dbraw/zinc/35/12/78/458351278.db2.gz UHXYGZSAEVBGCE-UHFFFAOYSA-N 2 0 338.499 3.475 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCn2cc(Cl)cn2)CC1)CC1CC1 ZINC000459468766 458382751 /nfs/dbraw/zinc/38/27/51/458382751.db2.gz LQBUHFSTQIAIOS-UHFFFAOYSA-N 2 0 338.927 3.371 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459562510 458411719 /nfs/dbraw/zinc/41/17/19/458411719.db2.gz QFNOJJXRBWSQGQ-GOSISDBHSA-N 2 0 333.520 3.075 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423434997 458432111 /nfs/dbraw/zinc/43/21/11/458432111.db2.gz LCFBIPHTMLWOTJ-ACJLOTCBSA-N 2 0 340.471 3.384 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423457190 458435511 /nfs/dbraw/zinc/43/55/11/458435511.db2.gz HSZWBQGXHHEKMR-BHYGNILZSA-N 2 0 327.476 3.052 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423453358 458435889 /nfs/dbraw/zinc/43/58/89/458435889.db2.gz KNCIFAUKDWCSQH-BVOGOJNSSA-N 3 0 329.532 3.394 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423461532 458436531 /nfs/dbraw/zinc/43/65/31/458436531.db2.gz SWIBXOLONWMFPE-SMDDNHRTSA-N 2 0 327.266 3.380 20 0 EGADRP CCC[C@@H]([NH2+]C[C@H]1CNCCN1C)c1cccc(C(F)(F)F)c1 ZINC000423526181 458451325 /nfs/dbraw/zinc/45/13/25/458451325.db2.gz UYVCZUOEEPGHPR-HZPDHXFCSA-N 2 0 329.410 3.040 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000459742436 458464346 /nfs/dbraw/zinc/46/43/46/458464346.db2.gz WENQITLESJNQFF-GOSISDBHSA-N 2 0 339.483 3.482 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000459739466 458464562 /nfs/dbraw/zinc/46/45/62/458464562.db2.gz SPJBESJBEIYXJM-OAHLLOKOSA-N 2 0 330.394 3.449 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1C1CCCC1 ZINC000459743641 458465744 /nfs/dbraw/zinc/46/57/44/458465744.db2.gz DAKCCDMHCYPRDV-VQTJNVASSA-N 2 0 325.456 3.245 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000423740090 458477532 /nfs/dbraw/zinc/47/75/32/458477532.db2.gz IJWBAJRFGPBLEZ-UFYCRDLUSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437779030 458491676 /nfs/dbraw/zinc/49/16/76/458491676.db2.gz BOIFKCCPYLCIOD-PKSQDBQZSA-N 2 0 329.257 3.379 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C3(C[NH3+])CCCC3)c2)CC1 ZINC000423850765 458497515 /nfs/dbraw/zinc/49/75/15/458497515.db2.gz RIBIBZHPKUOXAS-UHFFFAOYSA-N 2 0 343.515 3.419 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 ZINC000423930095 458514567 /nfs/dbraw/zinc/51/45/67/458514567.db2.gz JRUWQDUNZHNUPV-LJQANCHMSA-N 2 0 328.460 3.067 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1ccccc1 ZINC000460391710 458514983 /nfs/dbraw/zinc/51/49/83/458514983.db2.gz HUPFMTFLRLANMA-KRWDZBQOSA-N 2 0 333.520 3.210 20 0 EGADRP C[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423968781 458524910 /nfs/dbraw/zinc/52/49/10/458524910.db2.gz KRFMEAGJYKHFRH-FXAWDEMLSA-N 2 0 339.483 3.103 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000438198414 458548761 /nfs/dbraw/zinc/54/87/61/458548761.db2.gz JPFNJOZVINYDQN-SYAUCNOPSA-N 2 0 334.426 3.075 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)CC1CCCCC1 ZINC000424137613 458568242 /nfs/dbraw/zinc/56/82/42/458568242.db2.gz BBPRVWQNNAOMRX-OALUTQOASA-N 2 0 335.536 3.055 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)CC1CCCCC1 ZINC000424144824 458570353 /nfs/dbraw/zinc/57/03/53/458570353.db2.gz MDUJQJZAJLLRNO-MOPGFXCFSA-N 2 0 335.536 3.009 20 0 EGADRP CC[C@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)[N@H+](C)Cc1ccccc1 ZINC000424252102 458592687 /nfs/dbraw/zinc/59/26/87/458592687.db2.gz YNDBAUUIKOQINI-LJQANCHMSA-N 2 0 325.456 3.303 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000424271745 458599443 /nfs/dbraw/zinc/59/94/43/458599443.db2.gz SGXYDPOPEHRPOR-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(-c3ccc(F)cc3)no1)CC[NH2+]CC2 ZINC000424285117 458604256 /nfs/dbraw/zinc/60/42/56/458604256.db2.gz FDPRUNHBTNUBRE-CQSZACIVSA-N 2 0 329.419 3.445 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1csc(Nc3ccccc3)n1)CC[NH2+]CC2 ZINC000424285137 458604541 /nfs/dbraw/zinc/60/45/41/458604541.db2.gz FFCUPHZPGBBQQJ-OAHLLOKOSA-N 2 0 342.512 3.273 20 0 EGADRP [NH3+]C[C@H](CN1CC[NH2+]C[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000424307985 458611809 /nfs/dbraw/zinc/61/18/09/458611809.db2.gz YZRZWDLPGTZEPG-DNVCBOLYSA-N 2 0 347.865 3.168 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000438821459 458616351 /nfs/dbraw/zinc/61/63/51/458616351.db2.gz SCFPTOPQZUCECF-DYVFJYSZSA-N 2 0 339.430 3.098 20 0 EGADRP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431818521 458629970 /nfs/dbraw/zinc/62/99/70/458629970.db2.gz QYPMJIMHNZHMBY-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000424449264 458646878 /nfs/dbraw/zinc/64/68/78/458646878.db2.gz ZUZMFBGEQORMHD-KRWDZBQOSA-N 2 0 342.443 3.005 20 0 EGADRP CN(CCOc1ccc(Br)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000502679789 458664874 /nfs/dbraw/zinc/66/48/74/458664874.db2.gz ALLHQOGKBUJIRP-OAHLLOKOSA-N 2 0 341.293 3.244 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cncc(F)c3)cc2)C[C@H](C)O1 ZINC000494556470 458698349 /nfs/dbraw/zinc/69/83/49/458698349.db2.gz FCOSIELTXDHJCU-IYBDPMFKSA-N 2 0 343.446 3.120 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(Cl)c1Cl ZINC000432246791 458703789 /nfs/dbraw/zinc/70/37/89/458703789.db2.gz ODYBIZMRSFUCAU-LLVKDONJSA-N 2 0 336.332 3.171 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H]1CCC[NH3+] ZINC000530222365 458721079 /nfs/dbraw/zinc/72/10/79/458721079.db2.gz JISPYSZOONJTDO-MLGOLLRUSA-N 2 0 341.858 3.257 20 0 EGADRP Fc1cccc(Cl)c1CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241024 458727208 /nfs/dbraw/zinc/72/72/08/458727208.db2.gz OZWWXIORHXQWOJ-HNNXBMFYSA-N 2 0 340.870 3.112 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241044 458727567 /nfs/dbraw/zinc/72/75/67/458727567.db2.gz HBAXRTDLDSOTHM-LJQANCHMSA-N 2 0 331.504 3.104 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1(CC)CC ZINC000432408821 458734401 /nfs/dbraw/zinc/73/44/01/458734401.db2.gz VOOXZNNJEYQEOI-OKZBNKHCSA-N 2 0 326.525 3.061 20 0 EGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)CC[N@H+](C)C2CCCCC2)o1 ZINC000547428870 458737997 /nfs/dbraw/zinc/73/79/97/458737997.db2.gz UBCMVMWZFZYMAN-UHFFFAOYSA-N 2 0 349.519 3.133 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000547431044 458739211 /nfs/dbraw/zinc/73/92/11/458739211.db2.gz CKSNTRXVTYYVMW-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000530358381 458754746 /nfs/dbraw/zinc/75/47/46/458754746.db2.gz FBGFUESIAWHXDA-IBGZPJMESA-N 2 0 336.520 3.055 20 0 EGADRP C[N@@H+]1CC[C@]2(C[C@@H]1c1ccccc1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000514823993 458801038 /nfs/dbraw/zinc/80/10/38/458801038.db2.gz ITNOIBLPFXIHDU-XLIONFOSSA-N 2 0 346.438 3.106 20 0 EGADRP CC(C)[C@@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000474107610 458862064 /nfs/dbraw/zinc/86/20/64/458862064.db2.gz RPNUWGFTHYDYRV-OAQYLSRUSA-N 2 0 329.532 3.140 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)cc1 ZINC000440937435 458868417 /nfs/dbraw/zinc/86/84/17/458868417.db2.gz PIMDESLBUGRMHM-QFBILLFUSA-N 2 0 343.515 3.274 20 0 EGADRP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000495601285 458893296 /nfs/dbraw/zinc/89/32/96/458893296.db2.gz DDOUBYMQUKGWEL-CQSZACIVSA-N 2 0 327.513 3.142 20 0 EGADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000474730409 458898964 /nfs/dbraw/zinc/89/89/64/458898964.db2.gz IAERFXWEJHJPDE-ACRUOGEOSA-N 2 0 330.516 3.346 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000518984750 458905895 /nfs/dbraw/zinc/90/58/95/458905895.db2.gz GAYJSQUGAAXAJU-KRWDZBQOSA-N 2 0 344.503 3.166 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000556247235 458941259 /nfs/dbraw/zinc/94/12/59/458941259.db2.gz SNUUEOQHXYVLNZ-SJLPKXTDSA-N 2 0 325.456 3.263 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000576940741 458951170 /nfs/dbraw/zinc/95/11/70/458951170.db2.gz YEPZNYUBEKQIET-WSTZPKSXSA-N 2 0 345.531 3.258 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495817424 458965211 /nfs/dbraw/zinc/96/52/11/458965211.db2.gz FWGLMOKHXRREKC-IXDOHACOSA-N 2 0 341.540 3.388 20 0 EGADRP CC[C@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000577028543 458965576 /nfs/dbraw/zinc/96/55/76/458965576.db2.gz POXCLTKPHCYAOL-LJQANCHMSA-N 2 0 345.531 3.230 20 0 EGADRP COC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000566650331 458974406 /nfs/dbraw/zinc/97/44/06/458974406.db2.gz UIDQKZOCLSTASP-PMACEKPBSA-N 2 0 328.500 3.400 20 0 EGADRP COC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC000566650354 458975547 /nfs/dbraw/zinc/97/55/47/458975547.db2.gz UIDQKZOCLSTASP-VQTJNVASSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000467867376 458990991 /nfs/dbraw/zinc/99/09/91/458990991.db2.gz OIWGSMYQGSFTLX-SJLPKXTDSA-N 2 0 345.531 3.222 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](CO)Cc3ccco3)CC2)C1 ZINC000532025357 459019228 /nfs/dbraw/zinc/01/92/28/459019228.db2.gz ZPIRFVDSERMYFR-ZHALLVOQSA-N 2 0 334.504 3.063 20 0 EGADRP CN(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924634 459022414 /nfs/dbraw/zinc/02/24/14/459022414.db2.gz RZSYANTXFFPPLW-QZTJIDSGSA-N 2 0 349.906 3.076 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000556963711 459038937 /nfs/dbraw/zinc/03/89/37/459038937.db2.gz YNSKSLYXWXRVFQ-UXHICEINSA-N 2 0 332.488 3.194 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442820945 459043246 /nfs/dbraw/zinc/04/32/46/459043246.db2.gz CIFAHRFQRAQULV-LCSXWQTCSA-N 2 0 330.463 3.168 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[NH+](C)C)cc1 ZINC000557052074 459046476 /nfs/dbraw/zinc/04/64/76/459046476.db2.gz OLRPHVVLSHDWEO-LJQANCHMSA-N 2 0 338.455 3.023 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000567113942 459049007 /nfs/dbraw/zinc/04/90/07/459049007.db2.gz ZAYPERUCZXUFRZ-HOJAQTOUSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)c1ccc([C@H](NC(=O)CN2CC[C@@H]([NH3+])C[C@@H]2C)C(C)C)cc1 ZINC000567176073 459059369 /nfs/dbraw/zinc/05/93/69/459059369.db2.gz AZLOOYVWSFEQTL-LDQXTDLNSA-N 2 0 345.531 3.435 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000442921629 459061114 /nfs/dbraw/zinc/06/11/14/459061114.db2.gz IXFUCDUUGVQWLN-LBPRGKRZSA-N 2 0 334.357 3.328 20 0 EGADRP CCC[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCC)c1ccc(Cl)cc1 ZINC000557336330 459064002 /nfs/dbraw/zinc/06/40/02/459064002.db2.gz BWAATSQCQWTXMP-KRWDZBQOSA-N 2 0 339.911 3.181 20 0 EGADRP CCN(CC(=O)Nc1cccc(F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999427 459064359 /nfs/dbraw/zinc/06/43/59/459064359.db2.gz HHNDYAQERCQDHN-UHFFFAOYSA-N 2 0 343.446 3.348 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058290 459080023 /nfs/dbraw/zinc/08/00/23/459080023.db2.gz JWTXZNFDJFGAHC-QWHCGFSZSA-N 2 0 343.393 3.093 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765321 459091636 /nfs/dbraw/zinc/09/16/36/459091636.db2.gz YKNBZPPRMMGSQX-VQIMIIECSA-N 2 0 337.467 3.028 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532480956 459096858 /nfs/dbraw/zinc/09/68/58/459096858.db2.gz HWUMHKUSIVOGMB-HZPDHXFCSA-N 2 0 329.488 3.342 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532482495 459097120 /nfs/dbraw/zinc/09/71/20/459097120.db2.gz DHYGAUGMARWLIS-NRFANRHFSA-N 2 0 329.532 3.391 20 0 EGADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000532516937 459104361 /nfs/dbraw/zinc/10/43/61/459104361.db2.gz SAHSWBUKCAGQFF-CNNODRBYSA-N 2 0 338.495 3.405 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567605786 459132469 /nfs/dbraw/zinc/13/24/69/459132469.db2.gz FLNMDWMKOUGVPN-KAGYGMCKSA-N 2 0 338.495 3.263 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000567677861 459143608 /nfs/dbraw/zinc/14/36/08/459143608.db2.gz CINXTJYHOYDFBB-WOJBJXKFSA-N 2 0 348.531 3.287 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000496303995 459144200 /nfs/dbraw/zinc/14/42/00/459144200.db2.gz HOYDQICQHANHOA-CVEARBPZSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000479794221 459167536 /nfs/dbraw/zinc/16/75/36/459167536.db2.gz SXZLXBBMLOVLEQ-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP Cn1c2ccc(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)cc2nc1C1CC1 ZINC000567818362 459173027 /nfs/dbraw/zinc/17/30/27/459173027.db2.gz XWMKDCYWYBOEGO-KRWDZBQOSA-N 2 0 346.434 3.276 20 0 EGADRP C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480133603 459184332 /nfs/dbraw/zinc/18/43/32/459184332.db2.gz FAFFPEFYZNIQED-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000578349623 459186537 /nfs/dbraw/zinc/18/65/37/459186537.db2.gz IRTDKDIUMXKCLY-YLJYHZDGSA-N 2 0 348.531 3.145 20 0 EGADRP C[C@H]([NH2+]CCN(C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000480186539 459186992 /nfs/dbraw/zinc/18/69/92/459186992.db2.gz XCUNTMUUIVPBJI-SFHVURJKSA-N 2 0 341.499 3.414 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000480554613 459205031 /nfs/dbraw/zinc/20/50/31/459205031.db2.gz NOWDGKBTMXOPAF-VXKWHMMOSA-N 2 0 345.575 3.424 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCC2)[C@@H](C)C1 ZINC000480694391 459214376 /nfs/dbraw/zinc/21/43/76/459214376.db2.gz PALOPKSFYKVVSQ-ZWKOTPCHSA-N 2 0 326.525 3.062 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000533299027 459214502 /nfs/dbraw/zinc/21/45/02/459214502.db2.gz FHVMIQIOJYDEPD-QGZVFWFLSA-N 2 0 343.515 3.039 20 0 EGADRP COC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000496547262 459234789 /nfs/dbraw/zinc/23/47/89/459234789.db2.gz IRRPQMMGBJGVFX-FGTMMUONSA-N 2 0 331.460 3.265 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)C1 ZINC000568249600 459257715 /nfs/dbraw/zinc/25/77/15/459257715.db2.gz VVEBFXKOSBVWLU-MSOLQXFVSA-N 2 0 341.430 3.438 20 0 EGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000559894639 459282722 /nfs/dbraw/zinc/28/27/22/459282722.db2.gz MBBOKBADVIXKTO-LJQANCHMSA-N 2 0 332.488 3.232 20 0 EGADRP C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000559898711 459283069 /nfs/dbraw/zinc/28/30/69/459283069.db2.gz DNBDLXJQQLMTNI-YLJYHZDGSA-N 2 0 348.531 3.466 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000582236443 459331536 /nfs/dbraw/zinc/33/15/36/459331536.db2.gz VLPRCISYTDUUSF-NRFANRHFSA-N 2 0 326.484 3.222 20 0 EGADRP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000483142429 459343671 /nfs/dbraw/zinc/34/36/71/459343671.db2.gz IDANHTBWKMVTJI-GOSISDBHSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1nc(-c2ccccc2)no1 ZINC000582354371 459352349 /nfs/dbraw/zinc/35/23/49/459352349.db2.gz ARPFOJBODVWUCM-BZZMCLGOSA-N 2 0 340.471 3.350 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000568976441 459375409 /nfs/dbraw/zinc/37/54/09/459375409.db2.gz WBGDPCJFXYLSHH-FOIQADDNSA-N 2 0 330.447 3.142 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(I)cc1 ZINC000591578256 459405342 /nfs/dbraw/zinc/40/53/42/459405342.db2.gz HFRPOWDKMXJRLY-RISCZKNCSA-N 2 0 344.240 3.084 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497041075 459415559 /nfs/dbraw/zinc/41/55/59/459415559.db2.gz YYSUONPBJVXVPO-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000583018840 459467825 /nfs/dbraw/zinc/46/78/25/459467825.db2.gz GKZRCVAIPQADHW-UZLBHIALSA-N 2 0 337.467 3.417 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000583069862 459477241 /nfs/dbraw/zinc/47/72/41/459477241.db2.gz NBLWOHNBXZTDMN-NRFANRHFSA-N 2 0 327.516 3.164 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000569590639 459478798 /nfs/dbraw/zinc/47/87/98/459478798.db2.gz NSQKJCPIOLCFPZ-CPUCHLNUSA-N 2 0 339.886 3.476 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000596095404 459518287 /nfs/dbraw/zinc/51/82/87/459518287.db2.gz QDJDJUAOQMHUPG-JCEJCQQGSA-N 2 0 334.529 3.197 20 0 EGADRP [NH3+]CC1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCCC1 ZINC000583377993 459528626 /nfs/dbraw/zinc/52/86/26/459528626.db2.gz CXZQCICUQNTKOD-KRWDZBQOSA-N 2 0 349.906 3.112 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000562478854 459569831 /nfs/dbraw/zinc/56/98/31/459569831.db2.gz PQGNOZNRQUTTQC-OAHLLOKOSA-N 2 0 342.936 3.209 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000562517679 459576185 /nfs/dbraw/zinc/57/61/85/459576185.db2.gz NOJMHVZTWQDWEY-ZDUSSCGKSA-N 2 0 348.288 3.429 20 0 EGADRP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000543074844 459622118 /nfs/dbraw/zinc/62/21/18/459622118.db2.gz YRZLFGHWLAOKQV-YLJYHZDGSA-N 2 0 334.479 3.237 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1)CC1CC1 ZINC000499603227 459641315 /nfs/dbraw/zinc/64/13/15/459641315.db2.gz QMCIDTAPPWACJR-INIZCTEOSA-N 2 0 336.442 3.134 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000562772753 459643568 /nfs/dbraw/zinc/64/35/68/459643568.db2.gz ZCVOPYLQRISWNP-GASCZTMLSA-N 2 0 344.503 3.168 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCCCC1 ZINC000543740183 459693310 /nfs/dbraw/zinc/69/33/10/459693310.db2.gz BKKYRPLODQDWQG-KJJMTIBFSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@H]1C[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CCN1C ZINC000527939397 459777650 /nfs/dbraw/zinc/77/76/50/459777650.db2.gz NTUZEFOQOLMIEK-MAUKXSAKSA-N 2 0 346.519 3.464 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000545192031 459808569 /nfs/dbraw/zinc/80/85/69/459808569.db2.gz YFFPMDJDXKEXOH-UHFFFAOYSA-N 2 0 334.851 3.006 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC000545309233 459823410 /nfs/dbraw/zinc/82/34/10/459823410.db2.gz WELBDWFVILBBOW-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566213107 459823693 /nfs/dbraw/zinc/82/36/93/459823693.db2.gz YGVVHLMZZWMBQZ-HKUYNNGSSA-N 2 0 331.504 3.166 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000566257684 459830573 /nfs/dbraw/zinc/83/05/73/459830573.db2.gz LJPDEKZHNFAKLE-GJZGRUSLSA-N 2 0 342.487 3.326 20 0 EGADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574565341 459834301 /nfs/dbraw/zinc/83/43/01/459834301.db2.gz QQJFIFOAUUDTNQ-HDAAZOAOSA-N 2 0 332.532 3.499 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(Cl)c1 ZINC000566335721 459843651 /nfs/dbraw/zinc/84/36/51/459843651.db2.gz CMRSEIJJKKWLQE-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP CC(C)c1ccc(CC[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000546007409 459886544 /nfs/dbraw/zinc/88/65/44/459886544.db2.gz WTYFPZPFKKWFNK-QFIPXVFZSA-N 2 0 343.559 3.453 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)C1 ZINC000574972847 459901983 /nfs/dbraw/zinc/90/19/83/459901983.db2.gz OUAVCWLWSICNDQ-GDBMZVCRSA-N 2 0 349.475 3.154 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000621645598 459995759 /nfs/dbraw/zinc/99/57/59/459995759.db2.gz ILMFLVJAVTUMBQ-IRXDYDNUSA-N 2 0 331.504 3.012 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000575965434 460041913 /nfs/dbraw/zinc/04/19/13/460041913.db2.gz RCZFJUXZQOEBHN-QGZVFWFLSA-N 2 0 331.479 3.116 20 0 EGADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000576169238 460084203 /nfs/dbraw/zinc/08/42/03/460084203.db2.gz CIWLTAODGVQEHF-LEWJYISDSA-N 2 0 326.484 3.263 20 0 EGADRP COC(=O)CC1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000599030615 460133276 /nfs/dbraw/zinc/13/32/76/460133276.db2.gz GUKWMBIMYBQHDC-UHFFFAOYSA-N 2 0 336.520 3.353 20 0 EGADRP COC(=O)C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000589743188 460134882 /nfs/dbraw/zinc/13/48/82/460134882.db2.gz LJWFXHUIKDHGPD-UHFFFAOYSA-N 2 0 344.499 3.017 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2ccccc21 ZINC000599069673 460150111 /nfs/dbraw/zinc/15/01/11/460150111.db2.gz IFADHBGMVMXTJN-NSISKUIASA-N 2 0 344.499 3.490 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599071662 460150776 /nfs/dbraw/zinc/15/07/76/460150776.db2.gz SBGWTPDHROINOT-HOTGVXAUSA-N 2 0 348.487 3.464 20 0 EGADRP COc1cccc(CCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000576559163 460167427 /nfs/dbraw/zinc/16/74/27/460167427.db2.gz SNKZCSDZHTWKSP-UHFFFAOYSA-N 2 0 346.515 3.062 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000599310323 460224426 /nfs/dbraw/zinc/22/44/26/460224426.db2.gz QANKFSGZNZOGBX-XLIONFOSSA-N 2 0 343.515 3.162 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)cc1 ZINC000622658478 460291649 /nfs/dbraw/zinc/29/16/49/460291649.db2.gz YOYGWQSBPAVSLD-SFHVURJKSA-N 2 0 345.531 3.475 20 0 EGADRP C[C@@H]1CC(F)(F)CC[NH+]1CCOCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980079 460324910 /nfs/dbraw/zinc/32/49/10/460324910.db2.gz AQQNTEUHFQLIMQ-OKILXGFUSA-N 2 0 340.405 3.242 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631565040 460445304 /nfs/dbraw/zinc/44/53/04/460445304.db2.gz AWGFHGROCTXQCY-SFHVURJKSA-N 2 0 342.531 3.106 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631591649 460462613 /nfs/dbraw/zinc/46/26/13/460462613.db2.gz XAHHZTYAMGVISI-QGZVFWFLSA-N 2 0 343.515 3.314 20 0 EGADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1F ZINC000634678036 460472178 /nfs/dbraw/zinc/47/21/78/460472178.db2.gz GTBSGPSECCMBBT-IBGZPJMESA-N 2 0 339.474 3.279 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000631626452 460477553 /nfs/dbraw/zinc/47/75/53/460477553.db2.gz XNFYOAPAIOAEJQ-QGZVFWFLSA-N 2 0 342.531 3.105 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1csc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000623353140 460505773 /nfs/dbraw/zinc/50/57/73/460505773.db2.gz BDLRPNVKJCMCAA-CQSZACIVSA-N 2 0 349.466 3.129 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387619 460746917 /nfs/dbraw/zinc/74/69/17/460746917.db2.gz IDAQNGSNSHSVTB-CQSZACIVSA-N 2 0 331.287 3.412 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000623903850 460770555 /nfs/dbraw/zinc/77/05/55/460770555.db2.gz PYFSOPXRTDHCMZ-GUYCJALGSA-N 2 0 328.859 3.413 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635415118 460776744 /nfs/dbraw/zinc/77/67/44/460776744.db2.gz ABIACVLJUAXKSO-FQEVSTJZSA-N 2 0 341.499 3.280 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)o1 ZINC000607125381 460793223 /nfs/dbraw/zinc/79/32/23/460793223.db2.gz YLONLYOONFBEHY-JKSUJKDBSA-N 2 0 335.492 3.066 20 0 EGADRP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629544521 460803155 /nfs/dbraw/zinc/80/31/55/460803155.db2.gz IYDGCYLCMLFKHR-UGQVUOCMSA-N 2 0 337.870 3.036 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635546166 460826650 /nfs/dbraw/zinc/82/66/50/460826650.db2.gz OLGGDCJKNNOBOM-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@H](C)C1 ZINC000624112750 460865758 /nfs/dbraw/zinc/86/57/58/460865758.db2.gz KCEFDTJFSWJUHW-RTBURBONSA-N 2 0 347.547 3.394 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)c1OC ZINC000624122871 460872430 /nfs/dbraw/zinc/87/24/30/460872430.db2.gz AHWSFTNWEHNQEJ-RDJZCZTQSA-N 2 0 334.504 3.265 20 0 EGADRP C[N@H+](CCN1CC[NH+](CCC2CCCC2)CC1)Cc1ccccc1 ZINC000607729630 460892681 /nfs/dbraw/zinc/89/26/81/460892681.db2.gz ZRCFJSYOULLOEN-UHFFFAOYSA-N 2 0 329.532 3.316 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1)CC(C)C ZINC000629979202 460985060 /nfs/dbraw/zinc/98/50/60/460985060.db2.gz TWHJQIQQWBPLKY-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP O[C@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644787 461024226 /nfs/dbraw/zinc/02/42/26/461024226.db2.gz YVCXHYUCFIRHOV-OAQYLSRUSA-N 2 0 330.516 3.178 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(CCOC)s2)CC1 ZINC000637904766 461116519 /nfs/dbraw/zinc/11/65/19/461116519.db2.gz GLUFOJYSQVQRPU-UHFFFAOYSA-N 2 0 339.549 3.276 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000652349552 461141560 /nfs/dbraw/zinc/14/15/60/461141560.db2.gz SKRHYPWTHALDMI-FMKPAKJESA-N 2 0 331.485 3.015 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354138 461150498 /nfs/dbraw/zinc/15/04/98/461150498.db2.gz NUMFCGCBPCLNGP-ZBFHGGJFSA-N 2 0 335.517 3.186 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)no2)C1 ZINC000652361246 461154674 /nfs/dbraw/zinc/15/46/74/461154674.db2.gz AFVFRZXBRMJKEO-LSTHTHJFSA-N 2 0 341.455 3.202 20 0 EGADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(Cl)cc1O ZINC000637965816 461158090 /nfs/dbraw/zinc/15/80/90/461158090.db2.gz VNGHLWODJAHJRT-UHFFFAOYSA-N 2 0 326.868 3.218 20 0 EGADRP Fc1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000662271909 461158107 /nfs/dbraw/zinc/15/81/07/461158107.db2.gz BIIBMJSWDMOMNQ-ZDUSSCGKSA-N 2 0 328.378 3.249 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000662273023 461161344 /nfs/dbraw/zinc/16/13/44/461161344.db2.gz JMYNAAOGVFAMLP-DLBZAZTESA-N 2 0 341.455 3.172 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1OC(F)F)CC[NH2+]CC2 ZINC000662283448 461166305 /nfs/dbraw/zinc/16/63/05/461166305.db2.gz OHJHCSALQUGARC-GFCCVEGCSA-N 2 0 328.378 3.391 20 0 EGADRP CC(C)(C)[C@H]([NH3+])c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641178916 461167345 /nfs/dbraw/zinc/16/73/45/461167345.db2.gz ADTYCQPULYINPW-LJQANCHMSA-N 2 0 341.503 3.358 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290726 461167551 /nfs/dbraw/zinc/16/75/51/461167551.db2.gz IUCXHDGAPZMLJP-NVXWUHKLSA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295203 461171745 /nfs/dbraw/zinc/17/17/45/461171745.db2.gz FWWJWQKWQGWKAA-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293919 461171801 /nfs/dbraw/zinc/17/18/01/461171801.db2.gz VFEDZOHZUHTVKP-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297450 461175297 /nfs/dbraw/zinc/17/52/97/461175297.db2.gz QELHCPUWBIQFEX-GOEBONIOSA-N 2 0 349.906 3.379 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CCC[NH3+] ZINC000662315067 461187492 /nfs/dbraw/zinc/18/74/92/461187492.db2.gz SFRKAXBZIWMCRJ-NVXWUHKLSA-N 2 0 334.460 3.024 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000662426262 461239805 /nfs/dbraw/zinc/23/98/05/461239805.db2.gz WCTYPUFXONEREI-KRWDZBQOSA-N 2 0 349.544 3.185 20 0 EGADRP CO[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000638131109 461261368 /nfs/dbraw/zinc/26/13/68/461261368.db2.gz JOYYFCMSQIATHM-HXUWFJFHSA-N 2 0 338.536 3.016 20 0 EGADRP O=C(c1cccc2c1C[NH2+]C2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000662506501 461274179 /nfs/dbraw/zinc/27/41/79/461274179.db2.gz ATLJERRIQFKNRR-UHFFFAOYSA-N 2 0 341.499 3.018 20 0 EGADRP CCn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000641718282 461335620 /nfs/dbraw/zinc/33/56/20/461335620.db2.gz VGUORVXLLIBHGQ-UHFFFAOYSA-N 2 0 326.488 3.392 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000662669472 461341310 /nfs/dbraw/zinc/34/13/10/461341310.db2.gz ZQABAGLUXHOUDM-PKOBYXMFSA-N 2 0 343.515 3.236 20 0 EGADRP CCCCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000652757047 461342758 /nfs/dbraw/zinc/34/27/58/461342758.db2.gz GEGNMIDUOHFJCT-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000655687764 461362421 /nfs/dbraw/zinc/36/24/21/461362421.db2.gz ZDMFXWUEZVMBLE-WOJBJXKFSA-N 2 0 329.532 3.152 20 0 EGADRP CC(C)[C@H](C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000638354276 461382204 /nfs/dbraw/zinc/38/22/04/461382204.db2.gz YTBGBMLTEBOALI-QHAWAJNXSA-N 2 0 329.532 3.042 20 0 EGADRP Cn1c(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc2ccccc21 ZINC000638382546 461397845 /nfs/dbraw/zinc/39/78/45/461397845.db2.gz WXSRPFVRALCPIW-UHFFFAOYSA-N 2 0 337.467 3.409 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000659825162 461437486 /nfs/dbraw/zinc/43/74/86/461437486.db2.gz OUYSRNZWGBKJDZ-BGYRXZFFSA-N 2 0 329.532 3.172 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)N1CC[NH+](C)CC1 ZINC000666082364 461446246 /nfs/dbraw/zinc/44/62/46/461446246.db2.gz UQTDNMWTBGAGFN-XLIONFOSSA-N 2 0 349.950 3.059 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000631042619 461496042 /nfs/dbraw/zinc/49/60/42/461496042.db2.gz KBLOYWGXSVCRSB-IRXDYDNUSA-N 2 0 331.504 3.493 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000653105696 461503472 /nfs/dbraw/zinc/50/34/72/461503472.db2.gz GPHGLBGJFUTYET-IRXDYDNUSA-N 2 0 349.544 3.027 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)sn1 ZINC000638611228 461506234 /nfs/dbraw/zinc/50/62/34/461506234.db2.gz VSQRIJADVDVMOP-UHFFFAOYSA-N 2 0 331.485 3.216 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(F)c4ccccc34)C2)CC1 ZINC000631070084 461521591 /nfs/dbraw/zinc/52/15/91/461521591.db2.gz MBMNZYCCLIMNFG-KRWDZBQOSA-N 2 0 341.474 3.237 20 0 EGADRP C[C@@]1(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000638665358 461521739 /nfs/dbraw/zinc/52/17/39/461521739.db2.gz CNIWKKYNBHDYHH-QMMLZNLJSA-N 2 0 328.500 3.271 20 0 EGADRP CC[N@H+](CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1)C1CCCCC1 ZINC000653200783 461554698 /nfs/dbraw/zinc/55/46/98/461554698.db2.gz PXZJSDCKQHPDOW-INIZCTEOSA-N 2 0 331.504 3.481 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CCCCC1 ZINC000642713095 461558464 /nfs/dbraw/zinc/55/84/64/461558464.db2.gz JJTIPNOKKVZMSW-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347235 461576916 /nfs/dbraw/zinc/57/69/16/461576916.db2.gz HPERBCHHCFXGHA-WMZOPIPTSA-N 2 0 329.488 3.115 20 0 EGADRP COc1cc(Cl)c(C[NH2+]CCCC[N@H+](C)C2CC2)cc1OC ZINC000631154675 461594561 /nfs/dbraw/zinc/59/45/61/461594561.db2.gz FYUJTRJKZOEZBS-UHFFFAOYSA-N 2 0 326.868 3.321 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@H]3CN(Cc4ccccc4)C[C@@H]3C)cn21 ZINC000647262624 461597445 /nfs/dbraw/zinc/59/74/45/461597445.db2.gz HHDQONSUKPBPRK-UWJYYQICSA-N 2 0 348.494 3.295 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)C1 ZINC000643083091 461604868 /nfs/dbraw/zinc/60/48/68/461604868.db2.gz UQCZJGXXBPHIFJ-XLIONFOSSA-N 2 0 341.455 3.060 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000647287617 461612091 /nfs/dbraw/zinc/61/20/91/461612091.db2.gz NJEVGPXBFOPBJR-WIYYLYMNSA-N 2 0 347.547 3.256 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638862350 461625842 /nfs/dbraw/zinc/62/58/42/461625842.db2.gz SSCRRRUPKWRICV-ROUUACIJSA-N 2 0 335.536 3.151 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](O)C(C)C ZINC000666446737 461631931 /nfs/dbraw/zinc/63/19/31/461631931.db2.gz JPVXRMHJMVMHOR-UXHICEINSA-N 2 0 334.504 3.046 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000663466254 461654679 /nfs/dbraw/zinc/65/46/79/461654679.db2.gz QDTUWYIUWYBWBO-AEFFLSMTSA-N 2 0 343.515 3.161 20 0 EGADRP COC[C@H](C[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)OC ZINC000638973285 461663004 /nfs/dbraw/zinc/66/30/04/461663004.db2.gz YXWORIWQCWRBJI-PZJWPPBQSA-N 2 0 348.531 3.176 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC000653497687 461675009 /nfs/dbraw/zinc/67/50/09/461675009.db2.gz RPOUFYNZLJBVSJ-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP C[NH2+]C[C@@H](C)NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000663508493 461677653 /nfs/dbraw/zinc/67/76/53/461677653.db2.gz BBYPWRGCENFSSL-CQSZACIVSA-N 2 0 332.419 3.111 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)[C@@H]1OC ZINC000639047623 461690193 /nfs/dbraw/zinc/69/01/93/461690193.db2.gz MAPBKMPIYVKAJS-RQSWOZRGSA-N 2 0 344.499 3.137 20 0 EGADRP CC[C@H](CC(F)F)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660333700 461714691 /nfs/dbraw/zinc/71/46/91/461714691.db2.gz DHWNYDQAMZFICC-VQIMIIECSA-N 2 0 340.458 3.237 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000643455779 461733078 /nfs/dbraw/zinc/73/30/78/461733078.db2.gz XMMICIOZEKOQLP-QYZOEREBSA-N 2 0 331.504 3.082 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462812 461734250 /nfs/dbraw/zinc/73/42/50/461734250.db2.gz LQQAWQHASLENKD-FNHZYXHNSA-N 2 0 345.437 3.092 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1[NH3+] ZINC000647497268 461734769 /nfs/dbraw/zinc/73/47/69/461734769.db2.gz BFSAAHCONYUNTK-YLJYHZDGSA-N 2 0 325.456 3.220 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC000647498253 461736902 /nfs/dbraw/zinc/73/69/02/461736902.db2.gz DEDJTDDBEFDHQP-QUCCMNQESA-N 2 0 326.488 3.107 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480207 461740658 /nfs/dbraw/zinc/74/06/58/461740658.db2.gz FTOPEMDQMNLFQY-OFOKGCAXSA-N 2 0 327.516 3.017 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC45CC[NH2+]CC5)[C@H]3C2)cc1 ZINC000643535016 461755087 /nfs/dbraw/zinc/75/50/87/461755087.db2.gz HICPTVJLXYOWQS-TUFLPTIASA-N 3 0 339.527 3.019 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1F ZINC000643537141 461756283 /nfs/dbraw/zinc/75/62/83/461756283.db2.gz ZYKXGDILCNSFGZ-QMTHXVAHSA-N 2 0 327.241 3.381 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000647543206 461756876 /nfs/dbraw/zinc/75/68/76/461756876.db2.gz JHQLLLHZLFVLRQ-HOTGVXAUSA-N 2 0 344.528 3.485 20 0 EGADRP Clc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543664 461759006 /nfs/dbraw/zinc/75/90/06/461759006.db2.gz QYDICFSGNWZTKV-LSDHHAIUSA-N 2 0 332.879 3.199 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647544245 461759239 /nfs/dbraw/zinc/75/92/39/461759239.db2.gz YMTUZWVDJUBGEB-GJZGRUSLSA-N 2 0 346.906 3.438 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000639147707 461762078 /nfs/dbraw/zinc/76/20/78/461762078.db2.gz VRBZZDAIFZMABY-NRFANRHFSA-N 2 0 346.515 3.454 20 0 EGADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647551137 461762552 /nfs/dbraw/zinc/76/25/52/461762552.db2.gz ZPWYLZNODVVKIQ-GRDNDAEWSA-N 2 0 349.316 3.458 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1)C1CCCC1 ZINC000647785558 461833425 /nfs/dbraw/zinc/83/34/25/461833425.db2.gz AYALWITYBMDBMX-GUDVDZBRSA-N 2 0 341.499 3.293 20 0 EGADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786675 461834232 /nfs/dbraw/zinc/83/42/32/461834232.db2.gz VRWXRPKKWVDFEC-CBBWQLFWSA-N 2 0 342.405 3.450 20 0 EGADRP CC1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000647786250 461834539 /nfs/dbraw/zinc/83/45/39/461834539.db2.gz LQOAHXSXKQVJFQ-CIAFKFPVSA-N 2 0 341.543 3.437 20 0 EGADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788083 461835667 /nfs/dbraw/zinc/83/56/67/461835667.db2.gz BZJFUESRTHLZPZ-GVDBMIGSSA-N 2 0 342.405 3.243 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000666853926 461836748 /nfs/dbraw/zinc/83/67/48/461836748.db2.gz OLZMTMGMRRBXIE-UXIGCNINSA-N 2 0 343.393 3.282 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n(-c2ccccc2)n1 ZINC000647792857 461838041 /nfs/dbraw/zinc/83/80/41/461838041.db2.gz BGORMHNHUPNVGZ-WZGPROSRSA-N 2 0 338.499 3.089 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n(-c2ccccc2)n1 ZINC000647792856 461838644 /nfs/dbraw/zinc/83/86/44/461838644.db2.gz BGORMHNHUPNVGZ-JCHJZTRSSA-N 2 0 338.499 3.089 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCCC2)n1 ZINC000647793079 461838723 /nfs/dbraw/zinc/83/87/23/461838723.db2.gz KDKFDQLIFJKKJZ-RCCFBDPRSA-N 2 0 329.488 3.271 20 0 EGADRP O=C(Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1 ZINC000647794188 461838756 /nfs/dbraw/zinc/83/87/56/461838756.db2.gz TXWHTLKORMOLGL-VAMGGRTRSA-N 2 0 349.478 3.417 20 0 EGADRP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796933 461839425 /nfs/dbraw/zinc/83/94/25/461839425.db2.gz RIGDBOJKLHGNEC-JFGNBEQYSA-N 2 0 334.332 3.461 20 0 EGADRP Cc1cc(N)cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000666904950 461861995 /nfs/dbraw/zinc/86/19/95/461861995.db2.gz OAFVMXJMNGTLPV-UHFFFAOYSA-N 2 0 339.483 3.342 20 0 EGADRP C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@@H]1CC[NH2+]C1)OCCO3 ZINC000647874478 461867477 /nfs/dbraw/zinc/86/74/77/461867477.db2.gz ZRNYYTFUJCIELH-JKSUJKDBSA-N 2 0 342.483 3.256 20 0 EGADRP C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647880917 461868399 /nfs/dbraw/zinc/86/83/99/461868399.db2.gz DHDCRUGAWOMZBG-QGZVFWFLSA-N 2 0 326.488 3.331 20 0 EGADRP CC1(C)CCC[C@](O)(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639362016 461885845 /nfs/dbraw/zinc/88/58/45/461885845.db2.gz CEFOCNYMQGMBMQ-HXUWFJFHSA-N 2 0 331.504 3.361 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc3c2CCCN3)cc1 ZINC000666959422 461888499 /nfs/dbraw/zinc/88/84/99/461888499.db2.gz SJEMKGJUTZLCFS-UHFFFAOYSA-N 2 0 339.483 3.275 20 0 EGADRP Cn1c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC000656784747 461893492 /nfs/dbraw/zinc/89/34/92/461893492.db2.gz GTZWFIMRKZEPRQ-OAHLLOKOSA-N 2 0 346.906 3.438 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC ZINC000656784921 461894580 /nfs/dbraw/zinc/89/45/80/461894580.db2.gz ICCXTCWEZNXTEM-SFHVURJKSA-N 2 0 332.488 3.306 20 0 EGADRP CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)c2cc(N)ccc2O1 ZINC000656784444 461894615 /nfs/dbraw/zinc/89/46/15/461894615.db2.gz BAZMJOMUVWATMX-IBGZPJMESA-N 2 0 337.467 3.307 20 0 EGADRP Clc1ccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000656787765 461897365 /nfs/dbraw/zinc/89/73/65/461897365.db2.gz UNTJLGBKFMYMDY-UHFFFAOYSA-N 2 0 328.287 3.115 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000650707827 461902040 /nfs/dbraw/zinc/90/20/40/461902040.db2.gz NSDAOHZFCIBOJN-YSVLISHTSA-N 2 0 326.843 3.197 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995201 461902664 /nfs/dbraw/zinc/90/26/64/461902664.db2.gz GBBJETKJWYCMDI-HXUWFJFHSA-N 2 0 345.506 3.097 20 0 EGADRP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650709282 461903192 /nfs/dbraw/zinc/90/31/92/461903192.db2.gz OUSBFYJXYJMEHU-KNBMTAEXSA-N 2 0 332.488 3.433 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708895 461903340 /nfs/dbraw/zinc/90/33/40/461903340.db2.gz SSEXKIOYQJZHKS-JXFKEZNVSA-N 2 0 342.462 3.189 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654992 461905101 /nfs/dbraw/zinc/90/51/01/461905101.db2.gz JXLQMSBCMFIGPQ-HNAYVOBHSA-N 2 0 326.444 3.215 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)[C@H]1CC[NH3+] ZINC000650711924 461905087 /nfs/dbraw/zinc/90/50/87/461905087.db2.gz JHNHNQXTGZUZFG-BEFAXECRSA-N 2 0 330.451 3.020 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000650724110 461916830 /nfs/dbraw/zinc/91/68/30/461916830.db2.gz YIXCEFZZZHAOFK-COXVUDFISA-N 2 0 326.843 3.340 20 0 EGADRP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976620 461918549 /nfs/dbraw/zinc/91/85/49/461918549.db2.gz RDZHNEWGJMXIHJ-HOTGVXAUSA-N 2 0 347.528 3.059 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976406 461918716 /nfs/dbraw/zinc/91/87/16/461918716.db2.gz NZISQIOBFCMWLB-BBWFWOEESA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647976191 461918994 /nfs/dbraw/zinc/91/89/94/461918994.db2.gz LHMSUHLERYDJHU-ROUUACIJSA-N 2 0 340.471 3.257 20 0 EGADRP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647989923 461925337 /nfs/dbraw/zinc/92/53/37/461925337.db2.gz FCOCIZQBUPNVCX-SFHVURJKSA-N 2 0 326.488 3.281 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650753534 461934973 /nfs/dbraw/zinc/93/49/73/461934973.db2.gz PMBXKJZAZHHJNQ-GFCCVEGCSA-N 2 0 341.430 3.365 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000650752702 461935621 /nfs/dbraw/zinc/93/56/21/461935621.db2.gz YCZGQMIWRREEKR-GFCCVEGCSA-N 2 0 327.403 3.020 20 0 EGADRP COC1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000657080799 461964295 /nfs/dbraw/zinc/96/42/95/461964295.db2.gz VFLIHXFXJWHMQX-UHFFFAOYSA-N 2 0 332.488 3.208 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000657317519 462041101 /nfs/dbraw/zinc/04/11/01/462041101.db2.gz YKLFVQYOVYVUIX-ZWKOTPCHSA-N 2 0 334.504 3.312 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C(C)(C)C ZINC000657363847 462072693 /nfs/dbraw/zinc/07/26/93/462072693.db2.gz PZAZWALXSGMZPS-MOPGFXCFSA-N 2 0 334.504 3.310 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657538880 462173061 /nfs/dbraw/zinc/17/30/61/462173061.db2.gz XRWCANBPBPXALZ-IXDOHACOSA-N 2 0 333.907 3.383 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000657613242 462204459 /nfs/dbraw/zinc/20/44/59/462204459.db2.gz JMFLAKULCWKIRI-VQTJNVASSA-N 2 0 331.504 3.087 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000667729466 462234220 /nfs/dbraw/zinc/23/42/20/462234220.db2.gz IBPMTZTVAYZOKC-LJQANCHMSA-N 2 0 344.503 3.312 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(COC[C@H]2CCCO2)c1 ZINC000657802631 462275028 /nfs/dbraw/zinc/27/50/28/462275028.db2.gz COVNHTKVTNLAAP-NJDAHSKKSA-N 2 0 344.499 3.099 20 0 EGADRP COc1cc2c(cc1C[NH2+]CC1CC[NH+](CC3CC3)CC1)O[C@@H](C)C2 ZINC000657812190 462280290 /nfs/dbraw/zinc/28/02/90/462280290.db2.gz NXOMCKMVRULHPQ-HNNXBMFYSA-N 2 0 344.499 3.230 20 0 EGADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657843514 462293336 /nfs/dbraw/zinc/29/33/36/462293336.db2.gz CVVMAWNDJWZXHK-SJORKVTESA-N 2 0 344.421 3.073 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCCn4nccc43)CC2)c1 ZINC000657860122 462300275 /nfs/dbraw/zinc/30/02/75/462300275.db2.gz BCOOVLAZLHDQIO-KRWDZBQOSA-N 2 0 330.501 3.281 20 0 EGADRP Cc1cc(C)c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000648840637 462301013 /nfs/dbraw/zinc/30/10/13/462301013.db2.gz ZYVQCAPDBLYMCT-UHFFFAOYSA-N 2 0 339.483 3.463 20 0 EGADRP COc1ccccc1C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069021 462365831 /nfs/dbraw/zinc/36/58/31/462365831.db2.gz JPFWFZPYEPVLFE-KRWDZBQOSA-N 2 0 346.515 3.107 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000665246524 462367826 /nfs/dbraw/zinc/36/78/26/462367826.db2.gz HQQVVYPJIXDGGM-VAMGGRTRSA-N 2 0 327.516 3.291 20 0 EGADRP Cc1c(Br)cncc1CN(C)CCC[NH+]1CCCC1 ZINC000668100363 462419587 /nfs/dbraw/zinc/41/95/87/462419587.db2.gz KKZJBIUXXWLWQW-UHFFFAOYSA-N 2 0 326.282 3.070 20 0 EGADRP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531468 462430677 /nfs/dbraw/zinc/43/06/77/462430677.db2.gz KISTZWXVIFPSLS-SFHVURJKSA-N 2 0 331.504 3.236 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649288217 462468513 /nfs/dbraw/zinc/46/85/13/462468513.db2.gz DBTQKWNKHSTVSA-INIZCTEOSA-N 2 0 331.504 3.195 20 0 EGADRP CC(C)C[C@H](CNC(=O)c1ccc(C[NH3+])o1)[NH2+][C@H](C)c1ccccc1 ZINC000645964374 462480056 /nfs/dbraw/zinc/48/00/56/462480056.db2.gz GSOWRULTZRVKEW-NVXWUHKLSA-N 2 0 343.471 3.234 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000658356095 462488514 /nfs/dbraw/zinc/48/85/14/462488514.db2.gz GYKKHJDIVNMHEX-HNNXBMFYSA-N 2 0 330.472 3.230 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000658358806 462490047 /nfs/dbraw/zinc/49/00/47/462490047.db2.gz YUPFNTZSSZCNPI-INIZCTEOSA-N 2 0 346.515 3.346 20 0 EGADRP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000649411918 462502397 /nfs/dbraw/zinc/50/23/97/462502397.db2.gz URAXALQPXQMHJU-LJQANCHMSA-N 2 0 326.488 3.490 20 0 EGADRP CC[N@H+](CCCC1CC[NH2+]CC1)CC1CCN(c2ccccn2)CC1 ZINC000649413905 462503262 /nfs/dbraw/zinc/50/32/62/462503262.db2.gz RGSXCPUKXWAEEW-UHFFFAOYSA-N 2 0 344.547 3.400 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181418788 533849314 /nfs/dbraw/zinc/84/93/14/533849314.db2.gz NTIMEVVUPCCFBU-AWEZNQCLSA-N 2 0 335.879 3.374 20 0 EGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132439559 534428602 /nfs/dbraw/zinc/42/86/02/534428602.db2.gz VCFPVXZJVNWEOD-PMACEKPBSA-N 2 0 345.531 3.070 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184090360 534446013 /nfs/dbraw/zinc/44/60/13/534446013.db2.gz GBVZIHBIRREZLQ-KEYYUXOJSA-N 2 0 346.450 3.127 20 0 EGADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166416667 526701419 /nfs/dbraw/zinc/70/14/19/526701419.db2.gz QKAVTJYGTCBOCH-GOSISDBHSA-N 2 0 331.504 3.052 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000174628797 527801957 /nfs/dbraw/zinc/80/19/57/527801957.db2.gz UXSFNEGOCQWCJH-CZUORRHYSA-N 2 0 330.394 3.448 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cn(C)nc1C ZINC000178132116 528155355 /nfs/dbraw/zinc/15/53/55/528155355.db2.gz MIJWLKXUOOPEKL-MRXNPFEDSA-N 2 0 344.503 3.300 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)cc1 ZINC000154541551 528605969 /nfs/dbraw/zinc/60/59/69/528605969.db2.gz YGKREKIEZNMSDJ-SFHVURJKSA-N 2 0 333.520 3.154 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000154315076 529144862 /nfs/dbraw/zinc/14/48/62/529144862.db2.gz RLQGPCPAHKIVDK-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000185239187 534926246 /nfs/dbraw/zinc/92/62/46/534926246.db2.gz UEMUEODOYSPIQE-MOPGFXCFSA-N 2 0 331.504 3.480 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000344642581 535165960 /nfs/dbraw/zinc/16/59/60/535165960.db2.gz RNKMZGIPKRRREN-UHFFFAOYSA-N 2 0 337.533 3.126 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000346286628 535173783 /nfs/dbraw/zinc/17/37/83/535173783.db2.gz RFEVYMNDUZIJBC-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000268826837 535527384 /nfs/dbraw/zinc/52/73/84/535527384.db2.gz BEDGRBDOIWEWIZ-QKLQHJQFSA-N 2 0 334.504 3.050 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@H](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000089551304 546644751 /nfs/dbraw/zinc/64/47/51/546644751.db2.gz VCTQJLYITNTDGV-OAHLLOKOSA-N 2 0 342.487 3.161 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000090943631 546661794 /nfs/dbraw/zinc/66/17/94/546661794.db2.gz LRRNYTISHGTMSJ-UKRRQHHQSA-N 2 0 339.886 3.378 20 0 EGADRP COc1ccccc1[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000090913540 546661978 /nfs/dbraw/zinc/66/19/78/546661978.db2.gz BXRKXRZENIIZCT-HRAATJIYSA-N 2 0 339.483 3.500 20 0 EGADRP CCOC[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093839443 546688090 /nfs/dbraw/zinc/68/80/90/546688090.db2.gz QBGFLACPMHITOJ-IBGZPJMESA-N 2 0 332.488 3.020 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000119015975 546701274 /nfs/dbraw/zinc/70/12/74/546701274.db2.gz HWVNEASPWGVQAY-GFCCVEGCSA-N 2 0 328.403 3.117 20 0 EGADRP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCOC1 ZINC000119816423 546709598 /nfs/dbraw/zinc/70/95/98/546709598.db2.gz OTDHBWILYLSKHJ-LJQANCHMSA-N 2 0 332.488 3.020 20 0 EGADRP CCC[NH+]1CCC(NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000121284445 546723498 /nfs/dbraw/zinc/72/34/98/546723498.db2.gz RCRMYPSNEWMNBF-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000163150900 546971337 /nfs/dbraw/zinc/97/13/37/546971337.db2.gz HMCRGDIKWMBBNY-NSHDSACASA-N 2 0 331.291 3.120 20 0 EGADRP COc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000164509254 546978749 /nfs/dbraw/zinc/97/87/49/546978749.db2.gz YPSIMSMSWXLIKB-SFHVURJKSA-N 2 0 344.499 3.385 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000165074158 546984009 /nfs/dbraw/zinc/98/40/09/546984009.db2.gz IGMLQVFKJIJBDU-WMLDXEAASA-N 2 0 349.906 3.155 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166290244 546988572 /nfs/dbraw/zinc/98/85/72/546988572.db2.gz HOMPOABNAHLMFJ-RBUKOAKNSA-N 2 0 332.463 3.090 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000166744183 546989735 /nfs/dbraw/zinc/98/97/35/546989735.db2.gz APOUSCKUEOAXKS-KRWDZBQOSA-N 2 0 331.847 3.083 20 0 EGADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1ncc(Br)s1 ZINC000179237818 547044895 /nfs/dbraw/zinc/04/48/95/547044895.db2.gz ZLNKICZVIAIQCL-SNVBAGLBSA-N 2 0 341.278 3.453 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000180645598 547058612 /nfs/dbraw/zinc/05/86/12/547058612.db2.gz ONEMDZNSHVHFDO-PZJWPPBQSA-N 2 0 340.442 3.169 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC000414845427 547860754 /nfs/dbraw/zinc/86/07/54/547860754.db2.gz DKQXKIVYRHZHIW-QWHCGFSZSA-N 2 0 348.288 3.475 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccncc1 ZINC000414929680 547861257 /nfs/dbraw/zinc/86/12/57/547861257.db2.gz RWXRPTHNVDDAKB-QZTJIDSGSA-N 2 0 341.455 3.029 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463115914 547945030 /nfs/dbraw/zinc/94/50/30/547945030.db2.gz NVWKKBZQUAYKGP-KRWDZBQOSA-N 2 0 335.511 3.153 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474895194 547955060 /nfs/dbraw/zinc/95/50/60/547955060.db2.gz VWLWDVWIJXGOKV-KLAILNCOSA-N 2 0 349.485 3.361 20 0 EGADRP C[C@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)C(C)(C)C ZINC000670263761 548192581 /nfs/dbraw/zinc/19/25/81/548192581.db2.gz VFZYPXFWJBKACN-LJQANCHMSA-N 2 0 331.548 3.418 20 0 EGADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000671194619 548259543 /nfs/dbraw/zinc/25/95/43/548259543.db2.gz SUYDWQJNSVASIH-FXAWDEMLSA-N 2 0 332.488 3.207 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740093 548349279 /nfs/dbraw/zinc/34/92/79/548349279.db2.gz FIMUQMPBYVVVQM-CYBMUJFWSA-N 2 0 325.412 3.446 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675776220 548979375 /nfs/dbraw/zinc/97/93/75/548979375.db2.gz HFXDALPZTFUMNB-QGZVFWFLSA-N 2 0 340.515 3.433 20 0 EGADRP c1ccc([C@H](C[NH+]2CCCCC2)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000677237098 549235516 /nfs/dbraw/zinc/23/55/16/549235516.db2.gz ASBJXIBTUOAEGD-NJYVYQBISA-N 2 0 327.516 3.430 20 0 EGADRP COc1ccc(COCC[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000678047199 549384826 /nfs/dbraw/zinc/38/48/26/549384826.db2.gz IZNZCHUDTMVHQS-UHFFFAOYSA-N 2 0 334.504 3.266 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2nc3c(s2)CCCC3)C[C@H](C)O1 ZINC000678950641 549602127 /nfs/dbraw/zinc/60/21/27/549602127.db2.gz DHSLPYYDUHFBNS-GJZGRUSLSA-N 2 0 337.533 3.001 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCCO1 ZINC000680352972 549854404 /nfs/dbraw/zinc/85/44/04/549854404.db2.gz WKCVQYFDZDXCLV-YNWKUBOOSA-N 2 0 328.500 3.444 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000680969671 549934895 /nfs/dbraw/zinc/93/48/95/549934895.db2.gz RWRNKHJMBSXLBM-RBUKOAKNSA-N 2 0 329.532 3.184 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000681135680 549958950 /nfs/dbraw/zinc/95/89/50/549958950.db2.gz BMGOBOYAXRUIKJ-HNNXBMFYSA-N 2 0 346.906 3.004 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000681265303 549974510 /nfs/dbraw/zinc/97/45/10/549974510.db2.gz AOUKPDHQQWIHSM-OAHLLOKOSA-N 2 0 335.492 3.122 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]CCC(=O)Nc2cccnc2)cc1 ZINC000682846147 550152119 /nfs/dbraw/zinc/15/21/19/550152119.db2.gz FCWMRXJZTXHPEH-UHFFFAOYSA-N 2 0 340.471 3.042 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000684366921 550320391 /nfs/dbraw/zinc/32/03/91/550320391.db2.gz GSOAIRSVVGIZBG-JKSUJKDBSA-N 2 0 337.939 3.448 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cscc1Cl ZINC000685455876 550418144 /nfs/dbraw/zinc/41/81/44/550418144.db2.gz AFJSFPBAVDMOJB-OAHLLOKOSA-N 2 0 329.941 3.249 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000685451853 550417787 /nfs/dbraw/zinc/41/77/87/550417787.db2.gz ZOEQABDLWWZPKK-FQEVSTJZSA-N 2 0 325.456 3.359 20 0 EGADRP C[N@H+](C/C=C\c1ccc(F)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457217 550418737 /nfs/dbraw/zinc/41/87/37/550418737.db2.gz LNRZMXLEHITBSQ-JXCVUKRWSA-N 2 0 349.469 3.078 20 0 EGADRP C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C1CC[NH+](C)CC1 ZINC000685662770 550437234 /nfs/dbraw/zinc/43/72/34/550437234.db2.gz PZRDEZSCDCJVDJ-UZLBHIALSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@@H](COc1ccccc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000728782344 574770785 /nfs/dbraw/zinc/77/07/85/574770785.db2.gz KUTIJWNCFVJFJS-KRWDZBQOSA-N 2 0 328.456 3.184 20 0 EGADRP C[C@H]1CN(CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H](C)O1 ZINC000731674873 575196745 /nfs/dbraw/zinc/19/67/45/575196745.db2.gz GFFNRBXHIINFSO-IRXDYDNUSA-N 2 0 346.515 3.379 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000731871999 575214422 /nfs/dbraw/zinc/21/44/22/575214422.db2.gz VQZVQHZVWUMMJB-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CCCC[NH+]2CCCC2)c1 ZINC000732117087 575238856 /nfs/dbraw/zinc/23/88/56/575238856.db2.gz BIPWGZDDIYVUOF-UHFFFAOYSA-N 2 0 345.531 3.409 20 0 EGADRP COc1ccc([C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000678683673 576168756 /nfs/dbraw/zinc/16/87/56/576168756.db2.gz JXNVTTCGASGEFC-LJQANCHMSA-N 2 0 333.520 3.008 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000738211602 576300499 /nfs/dbraw/zinc/30/04/99/576300499.db2.gz XHHKEANSBHGCBR-UHFFFAOYSA-N 2 0 345.512 3.371 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000067452931 1292160548 /nfs/dbraw/zinc/16/05/48/1292160548.db2.gz LZWXHQGTSGJVRY-KBPBESRZSA-N 2 0 328.859 3.458 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)C[NH+]1CCCC1 ZINC000069752104 1292250653 /nfs/dbraw/zinc/25/06/53/1292250653.db2.gz BWSABLSCEPEIHJ-GOSISDBHSA-N 2 0 339.483 3.482 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000073079447 1292304261 /nfs/dbraw/zinc/30/42/61/1292304261.db2.gz RYCUQLWACJHAHK-NRFANRHFSA-N 2 0 345.531 3.042 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863692 1292390131 /nfs/dbraw/zinc/39/01/31/1292390131.db2.gz ORUILZOHLPYZPN-AZUAARDMSA-N 2 0 335.536 3.055 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cccc(O)c3)cc2)C[C@@H](C)O1 ZINC000078616549 1292518584 /nfs/dbraw/zinc/51/85/84/1292518584.db2.gz XHRGLFSLVBBJSF-IAGOWNOFSA-N 2 0 340.467 3.291 20 0 EGADRP CCc1oc2ccccc2c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000078891821 1292533625 /nfs/dbraw/zinc/53/36/25/1292533625.db2.gz XMCIQIVOTVYAOY-LJQANCHMSA-N 2 0 343.515 3.357 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831088530 1292807330 /nfs/dbraw/zinc/80/73/30/1292807330.db2.gz CJKUBASXRWQYLI-CSODTCANSA-N 2 0 335.536 3.197 20 0 EGADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1cccs1)C[NH+]1CCCCC1 ZINC000093948072 1292939803 /nfs/dbraw/zinc/93/98/03/1292939803.db2.gz FQMMHOITEMIELN-OAHLLOKOSA-N 2 0 332.517 3.360 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000098173191 1292965562 /nfs/dbraw/zinc/96/55/62/1292965562.db2.gz IXMAORLXFVUBFB-ICSRJNTNSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834615629 1293123062 /nfs/dbraw/zinc/12/30/62/1293123062.db2.gz GOZAQRLGPXRZSZ-QAETUUGQSA-N 2 0 339.524 3.237 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)cc1C[NH+]1CCCCC1 ZINC000834911892 1293173972 /nfs/dbraw/zinc/17/39/72/1293173972.db2.gz BGRRRQYCDKIACZ-ATZDWAIDSA-N 2 0 332.488 3.245 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000121584582 1293379395 /nfs/dbraw/zinc/37/93/95/1293379395.db2.gz KHVFBIRATBBRJS-IRXDYDNUSA-N 2 0 334.504 3.346 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000123184623 1293436775 /nfs/dbraw/zinc/43/67/75/1293436775.db2.gz RHZSWQRPHSDUAJ-UHFFFAOYSA-N 2 0 335.923 3.203 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000124079373 1293466391 /nfs/dbraw/zinc/46/63/91/1293466391.db2.gz IBNFKHUBVKWQSP-ZACQAIPSSA-N 2 0 339.524 3.286 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000132073349 1293707854 /nfs/dbraw/zinc/70/78/54/1293707854.db2.gz AZTDXXDYGQOQSW-INIZCTEOSA-N 2 0 331.529 3.265 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000136299341 1293814616 /nfs/dbraw/zinc/81/46/16/1293814616.db2.gz OKWSDLJOXUBFJI-LJQANCHMSA-N 2 0 340.471 3.017 20 0 EGADRP O[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000152544104 1293974082 /nfs/dbraw/zinc/97/40/82/1293974082.db2.gz SQVKDZIBGSMFAC-LJQANCHMSA-N 2 0 346.496 3.046 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C1CC[NH+](C)CC1 ZINC000157089362 1294167728 /nfs/dbraw/zinc/16/77/28/1294167728.db2.gz SOEQKUJTFXICRA-CABCVRRESA-N 2 0 331.460 3.024 20 0 EGADRP CCC[NH+]1CCC(N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000161589101 1294295896 /nfs/dbraw/zinc/29/58/96/1294295896.db2.gz QXOFORBFZSJSGL-OAHLLOKOSA-N 2 0 331.460 3.168 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2)cc1C[NH+]1CCCCC1 ZINC000182564720 1295059102 /nfs/dbraw/zinc/05/91/02/1295059102.db2.gz ABMSZMCBRJKZQU-INIZCTEOSA-N 2 0 342.487 3.265 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)c2cccs2)CC1 ZINC000870854201 1296113126 /nfs/dbraw/zinc/11/31/26/1296113126.db2.gz ONSUBSFTSXXXSF-BRWVUGGUSA-N 2 0 349.544 3.155 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)C1 ZINC000870866446 1296121168 /nfs/dbraw/zinc/12/11/68/1296121168.db2.gz WHEMDKYOAUHKPL-SZMVWBNQSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870867964 1296121394 /nfs/dbraw/zinc/12/13/94/1296121394.db2.gz PZSJFEPXXCDFEF-MRXNPFEDSA-N 2 0 329.488 3.389 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000236974236 1296214061 /nfs/dbraw/zinc/21/40/61/1296214061.db2.gz FLRLSQGXGGBCOL-KRWDZBQOSA-N 2 0 327.472 3.062 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@]3(O)CCc4ccccc43)CC2)C1 ZINC000246564257 1296360824 /nfs/dbraw/zinc/36/08/24/1296360824.db2.gz XHXLPHWCYPFRGF-ZNLUXHQJSA-N 2 0 342.527 3.453 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000262627548 1296643076 /nfs/dbraw/zinc/64/30/76/1296643076.db2.gz DRMZMICIXMKXCP-GOSISDBHSA-N 2 0 331.504 3.225 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)Sc2ccccc21)CN1CC[NH+](C)CC1 ZINC000872031911 1296678665 /nfs/dbraw/zinc/67/86/65/1296678665.db2.gz OAWXCWMUURPHNS-SJLPKXTDSA-N 2 0 347.572 3.475 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(C(F)(F)F)co3)C2)C1 ZINC000872145655 1296767310 /nfs/dbraw/zinc/76/73/10/1296767310.db2.gz VWIOQYDXWWGASW-NJZAAPMLSA-N 2 0 332.366 3.017 20 0 EGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1)C1CCCC1 ZINC000872157835 1296777602 /nfs/dbraw/zinc/77/76/02/1296777602.db2.gz RJYGKEQCHYSOAN-VQIMIIECSA-N 2 0 329.488 3.245 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000302100930 1296799239 /nfs/dbraw/zinc/79/92/39/1296799239.db2.gz KZHFPOBMDDYZGO-QGZVFWFLSA-N 2 0 341.540 3.105 20 0 EGADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310402348 1297095092 /nfs/dbraw/zinc/09/50/92/1297095092.db2.gz NLSZUWLSMYIQBC-NRFANRHFSA-N 3 0 329.532 3.220 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN3CCC[C@H]3CO2)C[C@@H](c2ccccc2)C1 ZINC000326806544 1297241854 /nfs/dbraw/zinc/24/18/54/1297241854.db2.gz CKGFDNKBBRCMTE-RKFFNLMFSA-N 2 0 328.500 3.412 20 0 EGADRP C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204317 1297350063 /nfs/dbraw/zinc/35/00/63/1297350063.db2.gz CVCZREPBZSEWSF-KBXCAEBGSA-N 2 0 328.481 3.356 20 0 EGADRP c1c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)sc2c1C[NH2+]CC2 ZINC000873204543 1297350591 /nfs/dbraw/zinc/35/05/91/1297350591.db2.gz GMCNCHVNLQLPRG-INIZCTEOSA-N 2 0 342.464 3.460 20 0 EGADRP Cc1ccc(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cn1 ZINC000873209088 1297354392 /nfs/dbraw/zinc/35/43/92/1297354392.db2.gz IYKPDCVQPCZKNE-UHFFFAOYSA-N 2 0 327.497 3.477 20 0 EGADRP Cn1nnc2cc(C[N@@H+]3CCC[C@@H](C[C@@H]([NH3+])C4CCCC4)C3)ccc21 ZINC000873232003 1297373942 /nfs/dbraw/zinc/37/39/42/1297373942.db2.gz IWAFGSLSQCQKGA-MAUKXSAKSA-N 2 0 341.503 3.088 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc(Br)cc1F ZINC000873260836 1297394456 /nfs/dbraw/zinc/39/44/56/1297394456.db2.gz IOLLAHYCNIPCKE-VCDKRKBESA-N 2 0 342.256 3.164 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000873259470 1297395019 /nfs/dbraw/zinc/39/50/19/1297395019.db2.gz FNJHYZONZOWSDS-JONQDZQNSA-N 2 0 349.906 3.486 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(Br)cs1 ZINC000873261678 1297396068 /nfs/dbraw/zinc/39/60/68/1297396068.db2.gz QHIFTMWOUXUITK-MMWGEVLESA-N 2 0 330.295 3.087 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000873262208 1297397022 /nfs/dbraw/zinc/39/70/22/1297397022.db2.gz WGAOOIWCGXNXOR-QKPAOTATSA-N 2 0 346.471 3.262 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000873278182 1297406254 /nfs/dbraw/zinc/40/62/54/1297406254.db2.gz ZYPIMXWWRPXSRC-YSIASYRMSA-N 2 0 342.483 3.324 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000873290025 1297412966 /nfs/dbraw/zinc/41/29/66/1297412966.db2.gz NFGZELHGYSJMON-UONOGXRCSA-N 2 0 340.414 3.097 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc2c(s1)CCCC2 ZINC000873290999 1297412977 /nfs/dbraw/zinc/41/29/77/1297412977.db2.gz HSCYREOYRFKZIG-ZBFHGGJFSA-N 2 0 334.529 3.436 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000379710367 1297540577 /nfs/dbraw/zinc/54/05/77/1297540577.db2.gz DFJSNLGDDYOKBJ-MRXNPFEDSA-N 2 0 341.540 3.105 20 0 EGADRP CCC(CC)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000393933312 1297674199 /nfs/dbraw/zinc/67/41/99/1297674199.db2.gz MEMRNILLPARQPZ-HOTGVXAUSA-N 2 0 339.524 3.286 20 0 EGADRP COc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000396444605 1297687543 /nfs/dbraw/zinc/68/75/43/1297687543.db2.gz OEFSELMPABKHFQ-GFCCVEGCSA-N 2 0 326.868 3.177 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C)[C@@H](C)[NH3+] ZINC000404373750 1297751422 /nfs/dbraw/zinc/75/14/22/1297751422.db2.gz SKNPELMXKVGMEJ-ZIVNCQHPSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000404542245 1297756104 /nfs/dbraw/zinc/75/61/04/1297756104.db2.gz RGVMZHXESSLASH-LTIDMASMSA-N 2 0 349.519 3.039 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699213535 1298169654 /nfs/dbraw/zinc/16/96/54/1298169654.db2.gz ZBLHIDQGCGIFKU-LBFURVHYSA-N 2 0 327.516 3.113 20 0 EGADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000713058175 1298268257 /nfs/dbraw/zinc/26/82/57/1298268257.db2.gz KQDKGKTYRAWMAG-PKOBYXMFSA-N 2 0 345.531 3.119 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000715394513 1298279933 /nfs/dbraw/zinc/27/99/33/1298279933.db2.gz OEWCVLYAHPVEEZ-RZXSNQJFSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000715551193 1298280246 /nfs/dbraw/zinc/28/02/46/1298280246.db2.gz GOZAQRLGPXRZSZ-YLFCFFPRSA-N 2 0 339.524 3.237 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724068609 1298347071 /nfs/dbraw/zinc/34/70/71/1298347071.db2.gz MHAATZLMZMEYJY-BRWVUGGUSA-N 2 0 339.524 3.001 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000749600609 1299243048 /nfs/dbraw/zinc/24/30/48/1299243048.db2.gz XZBJEPWTZJEWAG-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP COc1cc(OC)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(OC)c1 ZINC000877685074 1299477494 /nfs/dbraw/zinc/47/74/94/1299477494.db2.gz KJTRIJQEVKUBHB-UHFFFAOYSA-N 2 0 348.487 3.020 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccnc1Br)CC2 ZINC000877684466 1299478134 /nfs/dbraw/zinc/47/81/34/1299478134.db2.gz VNIIAAJFQHLEGP-UHFFFAOYSA-N 2 0 338.293 3.152 20 0 EGADRP CC(C)c1ccc(CC[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877746461 1299523681 /nfs/dbraw/zinc/52/36/81/1299523681.db2.gz QZCYKFHRLXTAAL-UHFFFAOYSA-N 2 0 329.532 3.064 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247503 1300451807 /nfs/dbraw/zinc/45/18/07/1300451807.db2.gz CFWZSWWWNQDRJJ-SFHVURJKSA-N 2 0 343.515 3.438 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759133854 1301021829 /nfs/dbraw/zinc/02/18/29/1301021829.db2.gz FXUNJWZMNBGAFW-MRXNPFEDSA-N 2 0 341.540 3.391 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC3(CC2)COCCO3)c1 ZINC000880548209 1301156563 /nfs/dbraw/zinc/15/65/63/1301156563.db2.gz MOFVQCGOXJWJOJ-UHFFFAOYSA-N 2 0 344.499 3.054 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1)CC(C)C ZINC000763732599 1301953241 /nfs/dbraw/zinc/95/32/41/1301953241.db2.gz LXENVLQXWQQURC-GOSISDBHSA-N 2 0 336.520 3.162 20 0 EGADRP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726459 1302081073 /nfs/dbraw/zinc/08/10/73/1302081073.db2.gz VEPXLSVPFISRSP-MRXNPFEDSA-N 2 0 329.419 3.111 20 0 EGADRP COc1ccc2c(NCC3([NH+]4CCCC4)CCOCC3)cc[nH+]c2c1 ZINC000765487410 1302271716 /nfs/dbraw/zinc/27/17/16/1302271716.db2.gz AQTOROAKVGOCAS-UHFFFAOYSA-N 2 0 341.455 3.300 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000884218334 1302774041 /nfs/dbraw/zinc/77/40/41/1302774041.db2.gz LRGDSWCDBURQEU-RLLQIKCJSA-N 2 0 345.531 3.132 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000769514334 1303133370 /nfs/dbraw/zinc/13/33/70/1303133370.db2.gz JJXWAMCWWYFDPK-QGZVFWFLSA-N 2 0 346.471 3.374 20 0 EGADRP CC(C)C(=O)N1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886501295 1303478060 /nfs/dbraw/zinc/47/80/60/1303478060.db2.gz DZMSADHMNKQKEN-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ncc2c(n1)CC[C@@H]([NH2+]C1CCC(C)([NH+]3CCCC3)CC1)C2 ZINC000886500403 1303478209 /nfs/dbraw/zinc/47/82/09/1303478209.db2.gz VCRQQTMZQPONJT-QPIRBTGLSA-N 2 0 328.504 3.029 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000773070462 1303618149 /nfs/dbraw/zinc/61/81/49/1303618149.db2.gz PXAYCDQXXAMBEB-RYGJVYDSSA-N 2 0 332.488 3.114 20 0 EGADRP Cc1ncc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000773081250 1303620565 /nfs/dbraw/zinc/62/05/65/1303620565.db2.gz LTWJQMMCOVBNCT-AWEZNQCLSA-N 2 0 333.501 3.285 20 0 EGADRP CC1(C)CC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC(C)(C)[NH2+]1 ZINC000774576968 1303830512 /nfs/dbraw/zinc/83/05/12/1303830512.db2.gz HNPXEZPEZCEDFF-HNNXBMFYSA-N 2 0 328.859 3.411 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775374903 1303948442 /nfs/dbraw/zinc/94/84/42/1303948442.db2.gz HOZMTKQJLVJWKS-QBPKDAKJSA-N 2 0 328.591 3.468 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C)cc1C[NH+]1CCCCC1 ZINC000775386739 1303952788 /nfs/dbraw/zinc/95/27/88/1303952788.db2.gz UBPGYQNHQSAFES-IRXDYDNUSA-N 2 0 333.520 3.282 20 0 EGADRP CO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(F)(F)F ZINC000777007092 1304231434 /nfs/dbraw/zinc/23/14/34/1304231434.db2.gz KXXLIGQWYHXPMS-CWRNSKLLSA-N 2 0 330.394 3.206 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000779003676 1304517140 /nfs/dbraw/zinc/51/71/40/1304517140.db2.gz YLUPLCRXCTXNRF-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000781421369 1304825149 /nfs/dbraw/zinc/82/51/49/1304825149.db2.gz QDDWNPNKHYJOCT-UAFMIMERSA-N 2 0 340.467 3.203 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCS(=O)CC1 ZINC000892580560 1305452183 /nfs/dbraw/zinc/45/21/83/1305452183.db2.gz MJVUOWGUNVENTM-WYTFLKLQSA-N 2 0 334.529 3.062 20 0 EGADRP FC(F)(F)Oc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000892606781 1305466557 /nfs/dbraw/zinc/46/65/57/1305466557.db2.gz CYOILSGFNOIBHQ-CABCVRRESA-N 2 0 328.378 3.344 20 0 EGADRP Cn1ncc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000892739968 1305531480 /nfs/dbraw/zinc/53/14/80/1305531480.db2.gz KHQUHQGQWZKXIM-SFHVURJKSA-N 2 0 338.499 3.299 20 0 EGADRP c1c(C[NH2+]CCCCC[NH+]2CCCCC2)nnn1Cc1ccccc1 ZINC000892882227 1305592646 /nfs/dbraw/zinc/59/26/46/1305592646.db2.gz KZYJLQHPHRVUDH-UHFFFAOYSA-N 2 0 341.503 3.072 20 0 EGADRP C[NH+]1CCC(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000892907108 1305601034 /nfs/dbraw/zinc/60/10/34/1305601034.db2.gz XTAINFVJEWBGCA-UHFFFAOYSA-N 3 0 349.950 3.483 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000893113868 1305714568 /nfs/dbraw/zinc/71/45/68/1305714568.db2.gz OFORDZGJXLGKPV-IOMROCGXSA-N 2 0 328.500 3.074 20 0 EGADRP C[NH+]1CCC(C[N@H+](CCCOc2ccccc2)C2CCOCC2)CC1 ZINC000893622702 1305991267 /nfs/dbraw/zinc/99/12/67/1305991267.db2.gz GYBFBVORWGRFSU-UHFFFAOYSA-N 2 0 346.515 3.278 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1F ZINC000791134335 1308927021 /nfs/dbraw/zinc/92/70/21/1308927021.db2.gz WOFUKSZFKNATNJ-UHFFFAOYSA-N 2 0 335.467 3.480 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000894694685 1309024231 /nfs/dbraw/zinc/02/42/31/1309024231.db2.gz MGQJVGKTLXAJMX-MRXNPFEDSA-N 2 0 330.394 3.060 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC000894847670 1309099018 /nfs/dbraw/zinc/09/90/18/1309099018.db2.gz DOAFMSAXMCYQFU-OAHLLOKOSA-N 2 0 334.426 3.009 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000895659974 1309453407 /nfs/dbraw/zinc/45/34/07/1309453407.db2.gz GILBQTHRQIVQME-MRXNPFEDSA-N 2 0 331.287 3.348 20 0 EGADRP CN(C)C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000895691620 1309468189 /nfs/dbraw/zinc/46/81/89/1309468189.db2.gz IZAUBLAAIGUSTL-QGZVFWFLSA-N 2 0 343.437 3.240 20 0 EGADRP CCn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000895693443 1309469757 /nfs/dbraw/zinc/46/97/57/1309469757.db2.gz CQKBJIQMIPBIEF-LPHOPBHVSA-N 2 0 326.488 3.069 20 0 EGADRP C[C@H](CC[NH2+]CC1CCC2(CC1)OCCO2)[N@H+](C)Cc1ccccc1 ZINC000795934305 1309865077 /nfs/dbraw/zinc/86/50/77/1309865077.db2.gz IKUNASGURJRZNT-GOSISDBHSA-N 2 0 346.515 3.420 20 0 EGADRP Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000796479672 1310010490 /nfs/dbraw/zinc/01/04/90/1310010490.db2.gz BBUBUNMKDSAHCQ-UWJYYQICSA-N 2 0 342.483 3.147 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798955764 1310463089 /nfs/dbraw/zinc/46/30/89/1310463089.db2.gz WIHYTHUFSNJUDL-FQEVSTJZSA-N 2 0 332.488 3.078 20 0 EGADRP C[NH+]1CCC2(CCCN(CC(=O)Nc3ccccc3Cl)C2)CC1 ZINC000799179031 1310500750 /nfs/dbraw/zinc/50/07/50/1310500750.db2.gz YUYJVFCPIVBGAX-UHFFFAOYSA-N 2 0 335.879 3.086 20 0 EGADRP C[N@H+](CCCCNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)C1CC1 ZINC000857283745 1328526365 /nfs/dbraw/zinc/52/63/65/1328526365.db2.gz WUGQEVJUYKYJHN-IBGZPJMESA-N 2 0 343.515 3.100 20 0 EGADRP Clc1ccc2c(n1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000857915449 1328624357 /nfs/dbraw/zinc/62/43/57/1328624357.db2.gz XMVZSVJUPMPCLW-KRWDZBQOSA-N 2 0 349.906 3.203 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018967324 1316987862 /nfs/dbraw/zinc/98/78/62/1316987862.db2.gz ABFXRJSWIBJMBF-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)[NH+]1CCCC1 ZINC001019230927 1317114850 /nfs/dbraw/zinc/11/48/50/1317114850.db2.gz BPVJSENSKNVJLD-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C2)cc1 ZINC001019518659 1317282226 /nfs/dbraw/zinc/28/22/26/1317282226.db2.gz XUXASPXBFQUXAR-FQEVSTJZSA-N 2 0 341.499 3.053 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001019560484 1317291078 /nfs/dbraw/zinc/29/10/78/1317291078.db2.gz IIQAMRCDIMPCMI-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001019823838 1317439779 /nfs/dbraw/zinc/43/97/79/1317439779.db2.gz WQWKJDVCEMDUBU-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2)[NH+](C)C ZINC000957563717 1317460633 /nfs/dbraw/zinc/46/06/33/1317460633.db2.gz NPUPXJSOUZZRDC-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806130915 1317463515 /nfs/dbraw/zinc/46/35/15/1317463515.db2.gz DTSSHBQOJQDJRA-KRWDZBQOSA-N 2 0 345.874 3.453 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001020029274 1317508534 /nfs/dbraw/zinc/50/85/34/1317508534.db2.gz ZZLRKAQZRXEJFE-CPLYBDICSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957636091 1317510985 /nfs/dbraw/zinc/51/09/85/1317510985.db2.gz XPAHYBJKVYJHTN-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000902320709 1317563037 /nfs/dbraw/zinc/56/30/37/1317563037.db2.gz RPSSGKRCHVYDDD-LJQANCHMSA-N 2 0 346.515 3.250 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1([NH3+])CC1 ZINC000902415554 1317576073 /nfs/dbraw/zinc/57/60/73/1317576073.db2.gz IKOFUENLFLEJLR-VIFPVBQESA-N 2 0 349.784 3.157 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001020288606 1317627955 /nfs/dbraw/zinc/62/79/55/1317627955.db2.gz FFRUWUKKWQSPOZ-WTGUMLROSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCc2sccc2C1 ZINC000903082634 1317649582 /nfs/dbraw/zinc/64/95/82/1317649582.db2.gz UIZKWWLMMUYNFB-DJXYKJKZSA-N 2 0 345.556 3.242 20 0 EGADRP CC(C)(C)OC(=O)N(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903088052 1317650821 /nfs/dbraw/zinc/65/08/21/1317650821.db2.gz IHIUAWJMIOWIBF-DODVFSASSA-N 2 0 349.519 3.133 20 0 EGADRP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)CCC(F)(F)F ZINC000903161710 1317665373 /nfs/dbraw/zinc/66/53/73/1317665373.db2.gz VTUSRDOPPJAMTA-VHRNVKJDSA-N 2 0 333.442 3.008 20 0 EGADRP c1cncc([C@@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)c1 ZINC000903185288 1317669201 /nfs/dbraw/zinc/66/92/01/1317669201.db2.gz CUIGKLNSHXHNHE-MWDBYQCVSA-N 2 0 327.472 3.049 20 0 EGADRP c1cc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)ccn1 ZINC000903186452 1317669906 /nfs/dbraw/zinc/66/99/06/1317669906.db2.gz KRDLZOGNOPBQLU-NSEAXLEKSA-N 2 0 327.472 3.049 20 0 EGADRP Cn1cnc2cc(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)ccc21 ZINC000903203259 1317673004 /nfs/dbraw/zinc/67/30/04/1317673004.db2.gz QEFHQXOBMVNGBC-UHFFFAOYSA-N 2 0 326.488 3.460 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3cc(N(C)C)cc[nH+]3)CC2)C1 ZINC000903201922 1317673594 /nfs/dbraw/zinc/67/35/94/1317673594.db2.gz RHXDFPLQUNFRTI-OXJNMPFZSA-N 2 0 330.520 3.280 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903214086 1317675214 /nfs/dbraw/zinc/67/52/14/1317675214.db2.gz SBLFSIAVKBRGNR-URCKKDGRSA-N 2 0 349.519 3.037 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001020396107 1317678260 /nfs/dbraw/zinc/67/82/60/1317678260.db2.gz FXTHRNVTDDDTIP-IYARVYRRSA-N 2 0 338.455 3.075 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000903255070 1317680939 /nfs/dbraw/zinc/68/09/39/1317680939.db2.gz WJXRAPNPMMFPGT-FYRZTWFESA-N 2 0 334.426 3.483 20 0 EGADRP c1csc(C[C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000903565404 1317707622 /nfs/dbraw/zinc/70/76/22/1317707622.db2.gz JLLWLYXFZAZYJG-OAHLLOKOSA-N 2 0 327.497 3.244 20 0 EGADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903717899 1317724133 /nfs/dbraw/zinc/72/41/33/1317724133.db2.gz FOAQPEAADMZYSC-UXHICEINSA-N 2 0 344.499 3.381 20 0 EGADRP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723248 1317724731 /nfs/dbraw/zinc/72/47/31/1317724731.db2.gz GLIXYKXVJUIUKL-OAHLLOKOSA-N 2 0 342.405 3.296 20 0 EGADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727966 1317726169 /nfs/dbraw/zinc/72/61/69/1317726169.db2.gz ZZPICNGQUUYJLO-LNLFQRSKSA-N 2 0 334.891 3.116 20 0 EGADRP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734717 1317726840 /nfs/dbraw/zinc/72/68/40/1317726840.db2.gz VERBSBRTWYOSOL-QHAWAJNXSA-N 2 0 328.500 3.100 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCc2ccc(Cl)cc21 ZINC000903765405 1317731321 /nfs/dbraw/zinc/73/13/21/1317731321.db2.gz ZMOALBODKUVYBE-LJHODMEESA-N 2 0 334.891 3.070 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001020502905 1317732236 /nfs/dbraw/zinc/73/22/36/1317732236.db2.gz XBQLSIODICSMGE-QWFCFKBJSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000903782001 1317732957 /nfs/dbraw/zinc/73/29/57/1317732957.db2.gz CUFRRQAMBLYQAI-MISYRCLQSA-N 2 0 328.500 3.271 20 0 EGADRP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2ccc(C(C)C)cc2)cnn1C ZINC000903873779 1317740819 /nfs/dbraw/zinc/74/08/19/1317740819.db2.gz XLSNPSZFLNSHFF-GOSISDBHSA-N 2 0 328.504 3.101 20 0 EGADRP CC1CC[NH+]([C@@H](CNC[C@H]([NH3+])CC(F)F)c2cccs2)CC1 ZINC000903923186 1317749952 /nfs/dbraw/zinc/74/99/52/1317749952.db2.gz NLYIXATZUJXBMZ-KGLIPLIRSA-N 2 0 331.476 3.093 20 0 EGADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000903974224 1317759525 /nfs/dbraw/zinc/75/95/25/1317759525.db2.gz MGKUUBNCNNGXFG-CHWSQXEVSA-N 2 0 348.288 3.333 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000904320960 1317830821 /nfs/dbraw/zinc/83/08/21/1317830821.db2.gz SDWUPRZXHIQVFB-GIVPXCGWSA-N 2 0 329.532 3.361 20 0 EGADRP COc1cccc([C@H]([NH2+]C2CC(C[NH3+])C2)c2cc(F)ccc2OC)c1 ZINC000904364505 1317836475 /nfs/dbraw/zinc/83/64/75/1317836475.db2.gz YGPDDKCTJBORHM-SKMDKRRUSA-N 2 0 344.430 3.259 20 0 EGADRP CC(C)[NH+](CCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C(C)C ZINC000809626023 1317849402 /nfs/dbraw/zinc/84/94/02/1317849402.db2.gz WDQFHNXHIUTBEE-UHFFFAOYSA-N 2 0 327.513 3.141 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1OC ZINC000904459782 1317850977 /nfs/dbraw/zinc/85/09/77/1317850977.db2.gz WXUALTJOFZTLMD-UHFFFAOYSA-N 2 0 340.467 3.196 20 0 EGADRP Cc1ccc(F)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473350 1317851648 /nfs/dbraw/zinc/85/16/48/1317851648.db2.gz IGTLACUTWODGTN-UYAOXDASSA-N 2 0 326.415 3.480 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000904635429 1317873386 /nfs/dbraw/zinc/87/33/86/1317873386.db2.gz ABDWFLDVRSLLAU-KRWDZBQOSA-N 2 0 330.476 3.064 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccccc2C[NH3+])c1 ZINC000904663845 1317878719 /nfs/dbraw/zinc/87/87/19/1317878719.db2.gz AUOINEPXNBFUPL-UHFFFAOYSA-N 2 0 340.471 3.309 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000809735523 1317882845 /nfs/dbraw/zinc/88/28/45/1317882845.db2.gz JRFLPCOOROMPQR-BZUAXINKSA-N 2 0 346.462 3.064 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001020719774 1317885959 /nfs/dbraw/zinc/88/59/59/1317885959.db2.gz QLXDISYNNBNROU-LWYYNNOASA-N 2 0 347.547 3.211 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3occc3Br)C2)CC1 ZINC000809757068 1317894473 /nfs/dbraw/zinc/89/44/73/1317894473.db2.gz WDMCFXBWYYUVHU-ZDUSSCGKSA-N 2 0 327.266 3.206 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)c1 ZINC000905052208 1317917071 /nfs/dbraw/zinc/91/70/71/1317917071.db2.gz NOYZMAUUZLEUMM-FQEVSTJZSA-N 2 0 348.531 3.064 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001020818464 1317947338 /nfs/dbraw/zinc/94/73/38/1317947338.db2.gz NZVXOLFAHQMZCW-FHWLQOOXSA-N 2 0 343.515 3.025 20 0 EGADRP C[NH+]1CCC(NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000905561405 1317969332 /nfs/dbraw/zinc/96/93/32/1317969332.db2.gz RKJXHBLCIIFVJA-UHFFFAOYSA-N 2 0 346.544 3.053 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001021089402 1318077209 /nfs/dbraw/zinc/07/72/09/1318077209.db2.gz BZJQHADPHRSCDI-ZULIPRJHSA-N 2 0 349.563 3.457 20 0 EGADRP Fc1cccc([C@H]2C[C@H]2[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000906590289 1318120403 /nfs/dbraw/zinc/12/04/03/1318120403.db2.gz IILBTONDEOGRKC-WOJBJXKFSA-N 2 0 332.463 3.258 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906589949 1318121051 /nfs/dbraw/zinc/12/10/51/1318121051.db2.gz FPFXDKIKKAAYPB-HRQSHJORSA-N 2 0 345.506 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021274408 1318167486 /nfs/dbraw/zinc/16/74/86/1318167486.db2.gz WTUQYMCQVQBYKX-IPQPSQTFSA-N 2 0 335.536 3.019 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001021434527 1318248793 /nfs/dbraw/zinc/24/87/93/1318248793.db2.gz KCLUQWJQFFTOPT-RAFMOHDBSA-N 2 0 349.563 3.409 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001021435164 1318249476 /nfs/dbraw/zinc/24/94/76/1318249476.db2.gz YTZDBTXTSRNMQC-XVLXNVKGSA-N 2 0 335.536 3.161 20 0 EGADRP CC1(C)C(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[C@H]1C1CC1 ZINC000811757431 1318255132 /nfs/dbraw/zinc/25/51/32/1318255132.db2.gz GMMVIIVIOFFFMR-IBGZPJMESA-N 2 0 347.547 3.179 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1F)[NH+](C)C ZINC000960042336 1318324259 /nfs/dbraw/zinc/32/42/59/1318324259.db2.gz GIDHGUJIEZEOAI-TXPKVOOTSA-N 2 0 349.494 3.198 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000908499967 1318356051 /nfs/dbraw/zinc/35/60/51/1318356051.db2.gz VFHLDFAJIPBSMH-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC000960171036 1318393983 /nfs/dbraw/zinc/39/39/83/1318393983.db2.gz WJHXRNQQSXGVGM-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858490760 1328777586 /nfs/dbraw/zinc/77/75/86/1328777586.db2.gz NMOMSJKDAJWZLL-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)CCCC[NH+]1CCCC1 ZINC000813854865 1318644887 /nfs/dbraw/zinc/64/48/87/1318644887.db2.gz HAGLQCYUWOFVFD-UHFFFAOYSA-N 2 0 337.552 3.367 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@@H+]1C ZINC000960646430 1318765293 /nfs/dbraw/zinc/76/52/93/1318765293.db2.gz YLUUBQDGTWCVIU-GBESFXJTSA-N 2 0 349.563 3.076 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(C[NH+]2CCCCC2)o1 ZINC000911809859 1318768334 /nfs/dbraw/zinc/76/83/34/1318768334.db2.gz KAHPXFMXRQIADZ-UHFFFAOYSA-N 2 0 339.439 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960664772 1318780638 /nfs/dbraw/zinc/78/06/38/1318780638.db2.gz LPPUZPRNSXXSMG-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001022083106 1318793188 /nfs/dbraw/zinc/79/31/88/1318793188.db2.gz KJZLJVTWVBKSFQ-HDICACEKSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022156110 1318823219 /nfs/dbraw/zinc/82/32/19/1318823219.db2.gz OVCXCCDBCDCDLI-CALCHBBNSA-N 2 0 349.544 3.240 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001022201902 1318840542 /nfs/dbraw/zinc/84/05/42/1318840542.db2.gz NTUPHMXPZVMFHM-FGTMMUONSA-N 2 0 349.544 3.056 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001022201907 1318841297 /nfs/dbraw/zinc/84/12/97/1318841297.db2.gz NTUPHMXPZVMFHM-KSZLIROESA-N 2 0 349.544 3.056 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001022293547 1318880952 /nfs/dbraw/zinc/88/09/52/1318880952.db2.gz UZUSYLLAHMYTIG-NSHGMRRFSA-N 2 0 343.515 3.031 20 0 EGADRP O[C@H]1CCC[NH+](CCCCCCCC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000815297170 1318950610 /nfs/dbraw/zinc/95/06/10/1318950610.db2.gz RQVDMEYTWALOLJ-PMACEKPBSA-N 2 0 340.552 3.021 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022806926 1319118984 /nfs/dbraw/zinc/11/89/84/1319118984.db2.gz DFIQHRUXKKPUPR-VWAQSERHSA-N 2 0 349.563 3.312 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001023124193 1319272134 /nfs/dbraw/zinc/27/21/34/1319272134.db2.gz BTEQBEFHOZNBRA-RWQQGDIJSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189308 1319305063 /nfs/dbraw/zinc/30/50/63/1319305063.db2.gz ZCEFJLPCGMVZTK-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP FC(F)(F)SCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817889134 1319450903 /nfs/dbraw/zinc/45/09/03/1319450903.db2.gz MQSSRGCTRDNEPG-OCCSQVGLSA-N 2 0 332.391 3.085 20 0 EGADRP CCc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc(=O)oc2c1 ZINC000817880417 1319451700 /nfs/dbraw/zinc/45/17/00/1319451700.db2.gz SQTLEZBUWIZYBE-VBQJREDUSA-N 2 0 328.456 3.161 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817893005 1319452750 /nfs/dbraw/zinc/45/27/50/1319452750.db2.gz BFOPTUSXYZGXMO-VNTMZGSJSA-N 2 0 332.488 3.018 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000817893761 1319453187 /nfs/dbraw/zinc/45/31/87/1319453187.db2.gz HAAQHPRSWVLPLU-YVWKXTFCSA-N 2 0 334.504 3.408 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2ccccc2OC)CC[NH2+]CC1 ZINC000817901095 1319454606 /nfs/dbraw/zinc/45/46/06/1319454606.db2.gz YWHFPYXKPOETSA-WBVHZDCISA-N 2 0 348.487 3.057 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817901632 1319455154 /nfs/dbraw/zinc/45/51/54/1319455154.db2.gz DCELEOKCRLQPFT-SESVDKBCSA-N 2 0 340.467 3.016 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000817899993 1319455209 /nfs/dbraw/zinc/45/52/09/1319455209.db2.gz JJTXJONRXDKWCG-OKZBNKHCSA-N 2 0 332.488 3.493 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900004 1319455585 /nfs/dbraw/zinc/45/55/85/1319455585.db2.gz JMQBPNDHQLRXDQ-GHOZHQTGSA-N 3 0 329.532 3.332 20 0 EGADRP Clc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000817902286 1319456609 /nfs/dbraw/zinc/45/66/09/1319456609.db2.gz MHQLPWUBHZTBJM-QFBILLFUSA-N 2 0 343.858 3.123 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926385 1319462692 /nfs/dbraw/zinc/46/26/92/1319462692.db2.gz HVLRFIJJZOGWQM-BNQQVVLKSA-N 2 0 345.270 3.159 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000817948885 1319473616 /nfs/dbraw/zinc/47/36/16/1319473616.db2.gz LZYRPGWZTHCLGW-AVRDEDQJSA-N 3 0 337.511 3.188 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(N2CCOC2=O)c1 ZINC000817968300 1319481171 /nfs/dbraw/zinc/48/11/71/1319481171.db2.gz JFRFQGHGEGUDAR-AWEZNQCLSA-N 2 0 337.423 3.097 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001023377537 1319485800 /nfs/dbraw/zinc/48/58/00/1319485800.db2.gz PKBXXNHUQIQWSZ-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023402841 1319510540 /nfs/dbraw/zinc/51/05/40/1319510540.db2.gz UPQVXLZYMUPYKZ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961364323 1319520383 /nfs/dbraw/zinc/52/03/83/1319520383.db2.gz CHVVIPHSGKKQRK-PMACEKPBSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000818233257 1319524595 /nfs/dbraw/zinc/52/45/95/1319524595.db2.gz FKCXNJVAPOENSZ-MWDXBVQZSA-N 2 0 337.508 3.039 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961374147 1319528830 /nfs/dbraw/zinc/52/88/30/1319528830.db2.gz JRHKBKCQAPCQBD-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC000961381968 1319537863 /nfs/dbraw/zinc/53/78/63/1319537863.db2.gz DSRYDQIEPQLEHY-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000819049661 1319622307 /nfs/dbraw/zinc/62/23/07/1319622307.db2.gz MVZVKFGFBHKWOR-GOSISDBHSA-N 2 0 326.431 3.244 20 0 EGADRP CC[C@H](CN1CCCC1)[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819077604 1319628903 /nfs/dbraw/zinc/62/89/03/1319628903.db2.gz BLGUPRJJLCDDCR-CJNGLKHVSA-N 2 0 331.287 3.491 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819133326 1319645043 /nfs/dbraw/zinc/64/50/43/1319645043.db2.gz OCYLQRQCJQMPQK-XHSDSOJGSA-N 2 0 330.394 3.201 20 0 EGADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)c1c(F)cccc1F ZINC000819142131 1319647543 /nfs/dbraw/zinc/64/75/43/1319647543.db2.gz NCSMOCWSYMHTGM-JMLCCBQJSA-N 2 0 338.442 3.385 20 0 EGADRP CC(C)(C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000819260459 1319682828 /nfs/dbraw/zinc/68/28/28/1319682828.db2.gz SQWCCMNFEDDEFF-MRXNPFEDSA-N 2 0 344.421 3.450 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000819275176 1319686342 /nfs/dbraw/zinc/68/63/42/1319686342.db2.gz RPSAUPZAIGBWNM-PXNSSMCTSA-N 2 0 344.886 3.485 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770469 1319920984 /nfs/dbraw/zinc/92/09/84/1319920984.db2.gz ZZXXMBAWXZQRMR-QGZVFWFLSA-N 2 0 349.519 3.363 20 0 EGADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1COC2(CCCCCC2)O1 ZINC000820836365 1319965832 /nfs/dbraw/zinc/96/58/32/1319965832.db2.gz QAMQMWBXHNPKSZ-ZCTYVAAUSA-N 2 0 334.504 3.200 20 0 EGADRP CCN1CCC[C@@H]1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823579124 1320188358 /nfs/dbraw/zinc/18/83/58/1320188358.db2.gz MRBRCJJSRUCRBB-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@H]([NH3+])C1CC1)C1CCCCC1 ZINC000827498219 1320457049 /nfs/dbraw/zinc/45/70/49/1320457049.db2.gz GZQCZPBBOVXWTJ-FQEVSTJZSA-N 2 0 343.515 3.195 20 0 EGADRP c1cc(N2CCC([NH2+]C3CCC([NH+]4CCCCC4)CC3)CC2)cc[nH+]1 ZINC000838971316 1320845602 /nfs/dbraw/zinc/84/56/02/1320845602.db2.gz QELYFZPSPUTVCI-UHFFFAOYSA-N 3 0 342.531 3.437 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000840807820 1321152899 /nfs/dbraw/zinc/15/28/99/1321152899.db2.gz GODJICXUIKAHNX-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(Br)ncc1F ZINC000840810382 1321153927 /nfs/dbraw/zinc/15/39/27/1321153927.db2.gz SUBQJEPKFUOMLS-VXGBXAGGSA-N 2 0 344.272 3.366 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(-c2ccnn2C)c1 ZINC000841032318 1321204079 /nfs/dbraw/zinc/20/40/79/1321204079.db2.gz BBRHDKJQTVXKMR-UHFFFAOYSA-N 2 0 334.467 3.187 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000841083757 1321215822 /nfs/dbraw/zinc/21/58/22/1321215822.db2.gz CUFHEHHGQCPDLI-JKSUJKDBSA-N 2 0 332.879 3.110 20 0 EGADRP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000842473229 1321392898 /nfs/dbraw/zinc/39/28/98/1321392898.db2.gz RJPOZKNVJVXGEM-GOSISDBHSA-N 2 0 347.503 3.316 20 0 EGADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000842475998 1321393555 /nfs/dbraw/zinc/39/35/55/1321393555.db2.gz DAOVZDXGBXAUEL-QGZVFWFLSA-N 2 0 333.524 3.093 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc([C@H]4CCC[NH2+]C4)no3)C2)c1 ZINC000842669441 1321415839 /nfs/dbraw/zinc/41/58/39/1321415839.db2.gz OXDPQAPYOXJMLD-JKSUJKDBSA-N 2 0 344.434 3.055 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843348277 1321503392 /nfs/dbraw/zinc/50/33/92/1321503392.db2.gz BBDQBCAWVDKNBQ-CABCVRRESA-N 2 0 325.456 3.226 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC([NH3+])CC2)c2ccccc2S1 ZINC000843354057 1321505211 /nfs/dbraw/zinc/50/52/11/1321505211.db2.gz VBBLLXLDUBOXAJ-QQFBHYJXSA-N 2 0 347.528 3.106 20 0 EGADRP O[C@H](c1ccc(F)cc1)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000843358109 1321506057 /nfs/dbraw/zinc/50/60/57/1321506057.db2.gz BQNSVUKPBKXKJI-HXUWFJFHSA-N 2 0 334.479 3.351 20 0 EGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2ccccc2c1 ZINC000843387075 1321509694 /nfs/dbraw/zinc/50/96/94/1321509694.db2.gz DUPJHNUMJLNQTE-MOPGFXCFSA-N 2 0 337.467 3.100 20 0 EGADRP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCCCCCC[NH3+])cn1 ZINC000844221312 1321580146 /nfs/dbraw/zinc/58/01/46/1321580146.db2.gz CJWXANCJILGPMD-IBGZPJMESA-N 2 0 332.467 3.490 20 0 EGADRP O=C1CC2(CCCC2)N1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000844696846 1321638137 /nfs/dbraw/zinc/63/81/37/1321638137.db2.gz BXNFTQIIIQQCTI-UHFFFAOYSA-N 2 0 333.520 3.077 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000844925469 1321659333 /nfs/dbraw/zinc/65/93/33/1321659333.db2.gz QDZMIZGTSSBHHC-JTQLQIEISA-N 2 0 330.245 3.024 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000962534880 1321990946 /nfs/dbraw/zinc/99/09/46/1321990946.db2.gz AYXMCFIUCATCCO-VIQWUECVSA-N 2 0 349.563 3.029 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000849059516 1322062094 /nfs/dbraw/zinc/06/20/94/1322062094.db2.gz ZLZXQVUHUUBDFP-SFHVURJKSA-N 2 0 346.519 3.066 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000849058703 1322062406 /nfs/dbraw/zinc/06/24/06/1322062406.db2.gz OTUCHDMRZKUFCN-ROUUACIJSA-N 2 0 330.520 3.367 20 0 EGADRP CC(C)CNC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000849061813 1322062809 /nfs/dbraw/zinc/06/28/09/1322062809.db2.gz QHUPTWJKPLJDJZ-IRXDYDNUSA-N 2 0 330.520 3.434 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083140 1322070749 /nfs/dbraw/zinc/07/07/49/1322070749.db2.gz JQBHHIXDIWBTQF-LBPRGKRZSA-N 2 0 330.354 3.006 20 0 EGADRP C[C@@]1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCCS1 ZINC000849088444 1322074146 /nfs/dbraw/zinc/07/41/46/1322074146.db2.gz JHIVIUYMZSNBTL-IBGZPJMESA-N 2 0 346.544 3.051 20 0 EGADRP [NH2+]=C(NCCCCC[NH+]1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000849112880 1322083450 /nfs/dbraw/zinc/08/34/50/1322083450.db2.gz HCXXWDOEPPPJAV-UHFFFAOYSA-N 2 0 346.475 3.050 20 0 EGADRP CS[C@H]1CCC[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000922136423 1322463662 /nfs/dbraw/zinc/46/36/62/1322463662.db2.gz WMKFDQPRHAYGHC-IRXDYDNUSA-N 2 0 337.533 3.176 20 0 EGADRP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922388504 1322516494 /nfs/dbraw/zinc/51/64/94/1322516494.db2.gz QUELUAQIHGCVSP-CGXNFDGLSA-N 2 0 346.515 3.043 20 0 EGADRP Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923311749 1322731781 /nfs/dbraw/zinc/73/17/81/1322731781.db2.gz VRJFNKLFBXEABY-WTXIUTQJSA-N 2 0 336.911 3.440 20 0 EGADRP C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)[C@@H]1CCC[NH3+] ZINC000923386644 1322743976 /nfs/dbraw/zinc/74/39/76/1322743976.db2.gz ADKBBBXSMBKMRL-JLZZUVOBSA-N 2 0 328.859 3.352 20 0 EGADRP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)c2cc1Cl ZINC000923484231 1322760224 /nfs/dbraw/zinc/76/02/24/1322760224.db2.gz IJHQINJZXPOTDF-GFCCVEGCSA-N 2 0 334.847 3.180 20 0 EGADRP CC(=O)Nc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505993 1322764651 /nfs/dbraw/zinc/76/46/51/1322764651.db2.gz RQZNZXGVEOJYNE-SFHVURJKSA-N 2 0 329.488 3.247 20 0 EGADRP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923532023 1322770380 /nfs/dbraw/zinc/77/03/80/1322770380.db2.gz XLNFDIOGOZFMOU-HOCLYGCPSA-N 2 0 340.920 3.320 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023892191 1323009120 /nfs/dbraw/zinc/00/91/20/1323009120.db2.gz XXKXUCLMSGAZQC-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cnnn1-c1ccccc1 ZINC000924524388 1323043354 /nfs/dbraw/zinc/04/33/54/1323043354.db2.gz AJAHFRVSROHSAD-SJORKVTESA-N 2 0 329.492 3.428 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001024018481 1323080920 /nfs/dbraw/zinc/08/09/20/1323080920.db2.gz ORHLITFKSCCZDU-ZWKOTPCHSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cnnn1C ZINC000924637144 1323086343 /nfs/dbraw/zinc/08/63/43/1323086343.db2.gz ZDHNWXWWBSAKGX-INIZCTEOSA-N 2 0 349.482 3.395 20 0 EGADRP C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670390 1323104436 /nfs/dbraw/zinc/10/44/36/1323104436.db2.gz ZPGAMIWHCUACQO-JKSUJKDBSA-N 2 0 343.471 3.250 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851948534 1323120400 /nfs/dbraw/zinc/12/04/00/1323120400.db2.gz WWAZNWPSNPIYDH-QRQLOZEOSA-N 2 0 332.488 3.028 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000924854097 1323188323 /nfs/dbraw/zinc/18/83/23/1323188323.db2.gz RRZVZKYGODEKQN-SJLPKXTDSA-N 2 0 325.456 3.350 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000924861081 1323190323 /nfs/dbraw/zinc/19/03/23/1323190323.db2.gz HKUBJPIUQZXFPL-IEBWSBKVSA-N 2 0 334.504 3.048 20 0 EGADRP C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cccc2c1OCO2 ZINC000924863087 1323191658 /nfs/dbraw/zinc/19/16/58/1323191658.db2.gz UOZJEHUEVXAAPF-OAHLLOKOSA-N 2 0 342.439 3.207 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024186241 1323197696 /nfs/dbraw/zinc/19/76/96/1323197696.db2.gz NTPALXLTPWHDDY-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924969448 1323232336 /nfs/dbraw/zinc/23/23/36/1323232336.db2.gz JFIZHXQZEGFJLJ-AWEZNQCLSA-N 2 0 343.471 3.099 20 0 EGADRP CS[C@@H](CO)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925109366 1323285603 /nfs/dbraw/zinc/28/56/03/1323285603.db2.gz DMFDCSUMUDVTFG-VNVJMFPYSA-N 2 0 348.556 3.274 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024469652 1323424173 /nfs/dbraw/zinc/42/41/73/1323424173.db2.gz VGPOFGTWWFFLLM-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024513427 1323463736 /nfs/dbraw/zinc/46/37/36/1323463736.db2.gz PTCCGYKDCCDACS-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617462 1323545944 /nfs/dbraw/zinc/54/59/44/1323545944.db2.gz GYHJSKJAJUSYNV-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711279 1323618905 /nfs/dbraw/zinc/61/89/05/1323618905.db2.gz IPNVLHURFZIHPW-OALUTQOASA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749765 1323652637 /nfs/dbraw/zinc/65/26/37/1323652637.db2.gz FNVXTMDKCGBZSD-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024812247 1323715836 /nfs/dbraw/zinc/71/58/36/1323715836.db2.gz MRPMWSVAMQCEFA-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814889 1323718628 /nfs/dbraw/zinc/71/86/28/1323718628.db2.gz YACKTOZYDCTZOX-MSOLQXFVSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024962223 1323802416 /nfs/dbraw/zinc/80/24/16/1323802416.db2.gz LWRKOIJWONKHEY-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024979676 1323812158 /nfs/dbraw/zinc/81/21/58/1323812158.db2.gz VOMDTLYXKWTTQY-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024984650 1323813521 /nfs/dbraw/zinc/81/35/21/1323813521.db2.gz HSDAJIAJBKJYDB-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC001024998718 1323817655 /nfs/dbraw/zinc/81/76/55/1323817655.db2.gz IUNHJPOUAAZXBR-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025056428 1323860699 /nfs/dbraw/zinc/86/06/99/1323860699.db2.gz OFMJXPRLNSEHOG-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]2C1 ZINC000931437363 1329117333 /nfs/dbraw/zinc/11/73/33/1329117333.db2.gz RIKBBQMTOVHOSH-OLZOCXBDSA-N 2 0 349.450 3.472 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3nnc(-c4cccc5ccccc54)o3)C[C@@H]2C1 ZINC000931442190 1329118343 /nfs/dbraw/zinc/11/83/43/1329118343.db2.gz XGAYAIZGTHKILW-SJORKVTESA-N 2 0 348.450 3.273 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001025085903 1323886521 /nfs/dbraw/zinc/88/65/21/1323886521.db2.gz XEVPIQVJEHGDSL-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025168763 1323937988 /nfs/dbraw/zinc/93/79/88/1323937988.db2.gz UQWGBJZJUDYKNZ-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1ccccc1F ZINC000859995313 1329124700 /nfs/dbraw/zinc/12/47/00/1329124700.db2.gz OOQOCGYXCPFQIP-FQEVSTJZSA-N 2 0 330.447 3.443 20 0 EGADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001025470620 1324317015 /nfs/dbraw/zinc/31/70/15/1324317015.db2.gz ZCNNVNZIYFIOSB-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025589361 1324433559 /nfs/dbraw/zinc/43/35/59/1324433559.db2.gz FIPBWJLCUDAJBO-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627768 1324478593 /nfs/dbraw/zinc/47/85/93/1324478593.db2.gz LJGNCCLNQKAQGQ-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)C[NH2+]C1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001026502345 1324852586 /nfs/dbraw/zinc/85/25/86/1324852586.db2.gz YZLMDIBBHUABDM-UHFFFAOYSA-N 2 0 337.533 3.096 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC001026592662 1324918566 /nfs/dbraw/zinc/91/85/66/1324918566.db2.gz KQEUMQUMCAWHNC-XEVCZEQESA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1SC(F)(F)F ZINC000925117024 1325051475 /nfs/dbraw/zinc/05/14/75/1325051475.db2.gz NERHLEFUBOYBQP-LBPRGKRZSA-N 2 0 348.434 3.406 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310265 1325094750 /nfs/dbraw/zinc/09/47/50/1325094750.db2.gz CWQAUNVLIMUYHJ-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925278119 1325111067 /nfs/dbraw/zinc/11/10/67/1325111067.db2.gz VMVUFJABSWNJGT-JXFKEZNVSA-N 2 0 343.515 3.190 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925278121 1325111531 /nfs/dbraw/zinc/11/15/31/1325111531.db2.gz VMVUFJABSWNJGT-OXQOHEQNSA-N 2 0 343.515 3.190 20 0 EGADRP COc1ccnc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000925300218 1325117173 /nfs/dbraw/zinc/11/71/73/1325117173.db2.gz IWJUKSZQQMTVKU-OAHLLOKOSA-N 2 0 326.444 3.052 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(-n2cnnc2)c1 ZINC000925305182 1325119049 /nfs/dbraw/zinc/11/90/49/1325119049.db2.gz ALQQGDWUMCFBAW-HNNXBMFYSA-N 2 0 327.476 3.181 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001027021621 1325159109 /nfs/dbraw/zinc/15/91/09/1325159109.db2.gz RGGKTVNYFLJRCY-SXLOBPIMSA-N 2 0 349.563 3.125 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)cc2)c1 ZINC000925515569 1325185937 /nfs/dbraw/zinc/18/59/37/1325185937.db2.gz FSMKHKXMSAQXQV-SFTDATJTSA-N 2 0 338.499 3.189 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccccc1 ZINC000925542557 1325200440 /nfs/dbraw/zinc/20/04/40/1325200440.db2.gz HUEDRIGGGYQZIW-LJQANCHMSA-N 2 0 347.572 3.418 20 0 EGADRP CC(C)C[C@H](C[NH3+])Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000854135398 1325215944 /nfs/dbraw/zinc/21/59/44/1325215944.db2.gz CCJZFBVLIFSISB-KRWDZBQOSA-N 2 0 342.487 3.496 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000925589586 1325223135 /nfs/dbraw/zinc/22/31/35/1325223135.db2.gz ZJQXDGDHOGUKDZ-MSOLQXFVSA-N 2 0 341.503 3.286 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccccc1 ZINC000925616799 1325231368 /nfs/dbraw/zinc/23/13/68/1325231368.db2.gz OBUSMIKBGZACPG-IBGZPJMESA-N 2 0 325.456 3.440 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000925651967 1325246963 /nfs/dbraw/zinc/24/69/63/1325246963.db2.gz MLWBSKDMAJHBOR-BRWVUGGUSA-N 2 0 328.591 3.466 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027163285 1325263647 /nfs/dbraw/zinc/26/36/47/1325263647.db2.gz BKROJSBIJIQPSE-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP Clc1ccccc1N1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925714937 1325267257 /nfs/dbraw/zinc/26/72/57/1325267257.db2.gz ZPGJCVCJOQNRPH-MAUKXSAKSA-N 2 0 333.907 3.431 20 0 EGADRP Cn1ccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000926169448 1325454569 /nfs/dbraw/zinc/45/45/69/1325454569.db2.gz DWIZRHSLYIEDFH-SEJPIABJSA-N 2 0 338.499 3.138 20 0 EGADRP C[C@H](C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC000964015594 1325475588 /nfs/dbraw/zinc/47/55/88/1325475588.db2.gz WJLSZUHUYTUVMX-QHGAOEGBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ncccc1Cl ZINC000926357076 1325525884 /nfs/dbraw/zinc/52/58/84/1325525884.db2.gz MZLLXEZUEHNQQN-MRXNPFEDSA-N 2 0 338.927 3.192 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926416527 1325545620 /nfs/dbraw/zinc/54/56/20/1325545620.db2.gz BOZRHALMCZPKEU-FYSMJZIKSA-N 2 0 344.524 3.478 20 0 EGADRP C[C@@H](CC[NH2+]C1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC000857070388 1325567334 /nfs/dbraw/zinc/56/73/34/1325567334.db2.gz JXLHLJRFLWESIC-AWEZNQCLSA-N 2 0 327.513 3.142 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)CC[N@@H+]1C ZINC000857136035 1325577888 /nfs/dbraw/zinc/57/78/88/1325577888.db2.gz ZLTYBUHBZSYORS-LSTHTHJFSA-N 2 0 343.515 3.051 20 0 EGADRP C[N@H+](CCCC[NH2+]C1CCN(OCc2ccccc2)CC1)C1CC1 ZINC000926560581 1327617726 /nfs/dbraw/zinc/61/77/26/1327617726.db2.gz RYXNOYNGJPKANE-UHFFFAOYSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(C[NH+](C)C)c1 ZINC000926659826 1327656920 /nfs/dbraw/zinc/65/69/20/1327656920.db2.gz IAPYYTGDFJBXTK-DNVCBOLYSA-N 2 0 339.483 3.175 20 0 EGADRP C[NH+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441166 1327680594 /nfs/dbraw/zinc/68/05/94/1327680594.db2.gz ACUFXVIBDKVVQA-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027442149 1327682963 /nfs/dbraw/zinc/68/29/63/1327682963.db2.gz BQJUZBAGOHJFTL-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001027451522 1327692937 /nfs/dbraw/zinc/69/29/37/1327692937.db2.gz CBBRJEVKLKDJQB-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027464432 1327713482 /nfs/dbraw/zinc/71/34/82/1327713482.db2.gz GFYYRZAMSOEWHD-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP C[N@H+](CC1CCCC1)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492053 1327753188 /nfs/dbraw/zinc/75/31/88/1327753188.db2.gz GHSNVQFJBTYTOA-IBGZPJMESA-N 2 0 340.471 3.061 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519652 1327791184 /nfs/dbraw/zinc/79/11/84/1327791184.db2.gz RPPXDCJMDPFUHM-IBGZPJMESA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]4OC(C)(C)O[C@H]4C3)CC2)C1 ZINC000927058179 1327833588 /nfs/dbraw/zinc/83/35/88/1327833588.db2.gz OSXRTKBOUSYMAM-FTWQHDNSSA-N 2 0 336.520 3.302 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027545626 1327850405 /nfs/dbraw/zinc/85/04/05/1327850405.db2.gz CIOSGVVSBGNNMD-SFHVURJKSA-N 2 0 347.503 3.068 20 0 EGADRP CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001027555054 1327862067 /nfs/dbraw/zinc/86/20/67/1327862067.db2.gz BYUNAGAHQYHMKB-QLOJAFMTSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603164 1327957083 /nfs/dbraw/zinc/95/70/83/1327957083.db2.gz DRZLJAGLAVORGY-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(C)C)C1 ZINC001027646149 1328021948 /nfs/dbraw/zinc/02/19/48/1328021948.db2.gz CSWAUWCQRLCHFB-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680653 1328078339 /nfs/dbraw/zinc/07/83/39/1328078339.db2.gz IKNLGPOINRVPKI-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027694021 1328101382 /nfs/dbraw/zinc/10/13/82/1328101382.db2.gz PBAJKVYPZVDPOL-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027694355 1328101417 /nfs/dbraw/zinc/10/14/17/1328101417.db2.gz WDOOHOKLUZJXBS-ZWKOTPCHSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCCC2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000966074537 1328170437 /nfs/dbraw/zinc/17/04/37/1328170437.db2.gz IJBZVOHWTALXGH-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027878506 1328342318 /nfs/dbraw/zinc/34/23/18/1328342318.db2.gz DBEZXWAUIATXRP-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027879134 1328344862 /nfs/dbraw/zinc/34/48/62/1328344862.db2.gz NOIWETQPLHGXRL-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027878738 1328345136 /nfs/dbraw/zinc/34/51/36/1328345136.db2.gz HRDDYNLSXGVXFL-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCC1CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885413 1328351754 /nfs/dbraw/zinc/35/17/54/1328351754.db2.gz DYANVOVDUKDYKI-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027917908 1328395475 /nfs/dbraw/zinc/39/54/75/1328395475.db2.gz HOECPUAXBGTFQJ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929850 1328407310 /nfs/dbraw/zinc/40/73/10/1328407310.db2.gz JXEWUBOUCHMETQ-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027986565 1328458525 /nfs/dbraw/zinc/45/85/25/1328458525.db2.gz YNQHLQQNCZQKJC-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865484577 1329703923 /nfs/dbraw/zinc/70/39/23/1329703923.db2.gz YYFGTDLJHPXNJU-CVEARBPZSA-N 2 0 348.441 3.328 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000865716976 1329732262 /nfs/dbraw/zinc/73/22/62/1329732262.db2.gz JNWHDWFFXJAPDC-UHFFFAOYSA-N 2 0 335.458 3.113 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000865717080 1329732301 /nfs/dbraw/zinc/73/23/01/1329732301.db2.gz NJNGTVNRHQRLRE-KRWDZBQOSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)CCC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000932719750 1329837604 /nfs/dbraw/zinc/83/76/04/1329837604.db2.gz PGFBGABYJLVYMW-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)n1 ZINC000933569138 1329901969 /nfs/dbraw/zinc/90/19/69/1329901969.db2.gz HODAKSJPTVSUMM-QGZVFWFLSA-N 2 0 337.427 3.018 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CCC([NH+]4CCN(C)CC4)CC3)c2c1 ZINC000866213686 1330079364 /nfs/dbraw/zinc/07/93/64/1330079364.db2.gz VVGOTQDJFLHNAR-UHFFFAOYSA-N 2 0 338.499 3.013 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCc2c(F)cccc21)N1CC[NH+](C)CC1 ZINC000866225998 1330080806 /nfs/dbraw/zinc/08/08/06/1330080806.db2.gz FNUXCDSOVXKZRL-WOJBJXKFSA-N 2 0 333.495 3.065 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000866467975 1330116106 /nfs/dbraw/zinc/11/61/06/1330116106.db2.gz WDYUEIXTEXSCIV-ZACQAIPSSA-N 2 0 328.591 3.466 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)CC1 ZINC000866590503 1330130258 /nfs/dbraw/zinc/13/02/58/1330130258.db2.gz RSSCGTLRHVDQEX-LJQANCHMSA-N 2 0 333.907 3.039 20 0 EGADRP C[C@H]([NH2+]CC[C@H](O)C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866638314 1330136767 /nfs/dbraw/zinc/13/67/67/1330136767.db2.gz PBHMWYKHWRSVSG-YYWHXJBOSA-N 2 0 330.516 3.428 20 0 EGADRP COc1ccccc1-c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)co1 ZINC000866666825 1330139549 /nfs/dbraw/zinc/13/95/49/1330139549.db2.gz XWDHXUMCAUCUPO-GOSISDBHSA-N 2 0 341.455 3.314 20 0 EGADRP COc1ccccc1-c1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)co1 ZINC000866667698 1330139557 /nfs/dbraw/zinc/13/95/57/1330139557.db2.gz VMAHVMXNRXHZGS-HNNXBMFYSA-N 2 0 341.455 3.314 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000866666467 1330139655 /nfs/dbraw/zinc/13/96/55/1330139655.db2.gz SAOQIDUZQJJPEN-RTBURBONSA-N 2 0 329.488 3.176 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000868012907 1330240594 /nfs/dbraw/zinc/24/05/94/1330240594.db2.gz VYUWZCVZJBOPDZ-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868176259 1330259165 /nfs/dbraw/zinc/25/91/65/1330259165.db2.gz NTXIRIWAFBIMPQ-RBUKOAKNSA-N 2 0 344.503 3.133 20 0 EGADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC000939064164 1330367455 /nfs/dbraw/zinc/36/74/55/1330367455.db2.gz RRUQBRQNWKPYDV-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940779636 1331190314 /nfs/dbraw/zinc/19/03/14/1331190314.db2.gz FUQSFEMFRXWFSR-OAHLLOKOSA-N 2 0 337.533 3.048 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941029105 1331299161 /nfs/dbraw/zinc/29/91/61/1331299161.db2.gz RSSXVWDOTCNVES-LJQANCHMSA-N 2 0 345.531 3.029 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941244941 1331411663 /nfs/dbraw/zinc/41/16/63/1331411663.db2.gz QISQELWHZJHFGN-GOSISDBHSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098881 1331829450 /nfs/dbraw/zinc/82/94/50/1331829450.db2.gz CHJHBMZQFMTKGM-PBHICJAKSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256337 1331890154 /nfs/dbraw/zinc/89/01/54/1331890154.db2.gz DMBRKJFEYQRWPQ-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944919972 1332454467 /nfs/dbraw/zinc/45/44/67/1332454467.db2.gz RNHCFDUWRZAZPJ-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631410 1332866366 /nfs/dbraw/zinc/86/63/66/1332866366.db2.gz GDMSKDLNVKEZCC-HAGHYFMRSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808098 1332904271 /nfs/dbraw/zinc/90/42/71/1332904271.db2.gz IWRIGXDLXXSLEM-AQNXPRMDSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC000947310312 1333084316 /nfs/dbraw/zinc/08/43/16/1333084316.db2.gz PDLDBWKZQLGHLH-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310175 1333084772 /nfs/dbraw/zinc/08/47/72/1333084772.db2.gz MSGISMJWUFZVIG-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCCC1 ZINC000947684944 1333222689 /nfs/dbraw/zinc/22/26/89/1333222689.db2.gz KMOQIVQWHJEWOZ-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCCC1CCC1 ZINC000947725866 1333241407 /nfs/dbraw/zinc/24/14/07/1333241407.db2.gz DYULJPBRZQYHKX-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CCC1CC1 ZINC000947801351 1333265593 /nfs/dbraw/zinc/26/55/93/1333265593.db2.gz MSNKQAQAXXQGSI-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCCCC3)[C@H](C)C2)CC1 ZINC000947851866 1333280163 /nfs/dbraw/zinc/28/01/63/1333280163.db2.gz BIPLKEOALWLFSY-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCCC1 ZINC000948040127 1333350048 /nfs/dbraw/zinc/35/00/48/1333350048.db2.gz MXDRLSWMIYGQIW-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948365708 1333496217 /nfs/dbraw/zinc/49/62/17/1333496217.db2.gz RWCHNLIOABWRIS-RBUKOAKNSA-N 2 0 335.536 3.138 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374320 1333500694 /nfs/dbraw/zinc/50/06/94/1333500694.db2.gz UYBGLIUIRVUTSH-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385606 1333504399 /nfs/dbraw/zinc/50/43/99/1333504399.db2.gz MTUIACJQIGHBCR-NZSAHSFTSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948436009 1333523817 /nfs/dbraw/zinc/52/38/17/1333523817.db2.gz RSQKNKHKFNFEBL-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948591310 1333587413 /nfs/dbraw/zinc/58/74/13/1333587413.db2.gz UNTDSLYHUAPBIF-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948743574 1333655805 /nfs/dbraw/zinc/65/58/05/1333655805.db2.gz YIBYKRBTLJBIEM-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC000948829475 1333700831 /nfs/dbraw/zinc/70/08/31/1333700831.db2.gz NOXZSOAQHXBEPN-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948829685 1333701976 /nfs/dbraw/zinc/70/19/76/1333701976.db2.gz STFCJYRMNICPJE-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000949628066 1333885912 /nfs/dbraw/zinc/88/59/12/1333885912.db2.gz REUUPPVOAMICCD-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000950614587 1334097459 /nfs/dbraw/zinc/09/74/59/1334097459.db2.gz GNMWJPGIZSPQAY-UYAOXDASSA-N 2 0 347.547 3.116 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000952443825 1334460757 /nfs/dbraw/zinc/46/07/57/1334460757.db2.gz DAPZZUFPKVLXPM-QUCCMNQESA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378681 1335910097 /nfs/dbraw/zinc/91/00/97/1335910097.db2.gz ROYCOYDMAOEDOX-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)CC[C@H]2C)CC1 ZINC000968492346 1335940853 /nfs/dbraw/zinc/94/08/53/1335940853.db2.gz IBPGYZUEMKIITI-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1Cl ZINC000968904567 1336085253 /nfs/dbraw/zinc/08/52/53/1336085253.db2.gz VRSIHIDAYROLLM-HUUCEWRRSA-N 2 0 349.906 3.076 20 0 EGADRP CC1(C)CC(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000968916013 1336087196 /nfs/dbraw/zinc/08/71/96/1336087196.db2.gz WMKRTEJGWHFJEL-IEBWSBKVSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC000968922346 1336089714 /nfs/dbraw/zinc/08/97/14/1336089714.db2.gz YNRPLNGWIRYJQI-HUUCEWRRSA-N 2 0 349.906 3.076 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936533 1336095686 /nfs/dbraw/zinc/09/56/86/1336095686.db2.gz KMNIVGUMJQCUFZ-KRWDZBQOSA-N 2 0 328.460 3.109 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100816 1336143283 /nfs/dbraw/zinc/14/32/83/1336143283.db2.gz IYGQLFLCTHFUAV-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCF)c1 ZINC000969153302 1336164382 /nfs/dbraw/zinc/16/43/82/1336164382.db2.gz FHZJIGOICROFEA-IBGZPJMESA-N 2 0 349.494 3.082 20 0 EGADRP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326356 1336294773 /nfs/dbraw/zinc/29/47/73/1336294773.db2.gz QKUQFGLSZAPWRE-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326357 1336294881 /nfs/dbraw/zinc/29/48/81/1336294881.db2.gz QKUQFGLSZAPWRE-YLJYHZDGSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970528500 1336317947 /nfs/dbraw/zinc/31/79/47/1336317947.db2.gz HHKKQLUGRJOCKD-YLJYHZDGSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005477472 1336358308 /nfs/dbraw/zinc/35/83/08/1336358308.db2.gz ROVXLCRDLJWLNP-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005639273 1336386699 /nfs/dbraw/zinc/38/66/99/1336386699.db2.gz HRDKVDDVJMDAIP-MJGOQNOKSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001005991522 1336435580 /nfs/dbraw/zinc/43/55/80/1336435580.db2.gz NWENJPIEDPVQFN-QZTJIDSGSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@H](F)C[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006133442 1336456746 /nfs/dbraw/zinc/45/67/46/1336456746.db2.gz RWNNVJQXEIEWGG-SFHVURJKSA-N 2 0 349.494 3.033 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006443480 1336507015 /nfs/dbraw/zinc/50/70/15/1336507015.db2.gz LYVSKMPEKUQCFM-HDICACEKSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006443486 1336507023 /nfs/dbraw/zinc/50/70/23/1336507023.db2.gz LYVSKMPEKUQCFM-ROUUACIJSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007500205 1336658631 /nfs/dbraw/zinc/65/86/31/1336658631.db2.gz RGEJJSDUOINJKJ-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007747698 1336694301 /nfs/dbraw/zinc/69/43/01/1336694301.db2.gz RDUVHVDSVIULHO-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801904 1336703702 /nfs/dbraw/zinc/70/37/02/1336703702.db2.gz UNURABASDLSOEK-APWZRJJASA-N 2 0 348.450 3.290 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001008746897 1336918962 /nfs/dbraw/zinc/91/89/62/1336918962.db2.gz KOQDBYXTPLWKFI-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001008746905 1336919037 /nfs/dbraw/zinc/91/90/37/1336919037.db2.gz KOQDBYXTPLWKFI-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747608 1336920041 /nfs/dbraw/zinc/92/00/41/1336920041.db2.gz MGSMFFZUHNZJKB-WMZOPIPTSA-N 2 0 349.544 3.093 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Br ZINC001206025542 1370942526 /nfs/dbraw/zinc/94/25/26/1370942526.db2.gz OBXBDALFOSLRFF-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)c1 ZINC001009607726 1337045608 /nfs/dbraw/zinc/04/56/08/1337045608.db2.gz CVJKUTUGARWHRK-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014430085 1337776245 /nfs/dbraw/zinc/77/62/45/1337776245.db2.gz AKCFHRHEULWJQE-MJGOQNOKSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001014508948 1337801642 /nfs/dbraw/zinc/80/16/42/1337801642.db2.gz PFAIYPZPIHGPHE-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001014707761 1337877489 /nfs/dbraw/zinc/87/74/89/1337877489.db2.gz UZVBRPBSMDJWEL-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014728488 1337888591 /nfs/dbraw/zinc/88/85/91/1337888591.db2.gz MSHSLZCYEIGUMT-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001015033575 1337996491 /nfs/dbraw/zinc/99/64/91/1337996491.db2.gz RFRMUVDAXOGZME-CRAIPNDOSA-N 2 0 348.450 3.208 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501525 1338160312 /nfs/dbraw/zinc/16/03/12/1338160312.db2.gz BFELZAGTWKGCCM-MOPGFXCFSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501249 1338160572 /nfs/dbraw/zinc/16/05/72/1338160572.db2.gz YIGFZGSQJXQYLI-ZWKOTPCHSA-N 2 0 343.515 3.121 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015977346 1338389107 /nfs/dbraw/zinc/38/91/07/1338389107.db2.gz UEMKLPJBTQSEMU-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016610925 1338663130 /nfs/dbraw/zinc/66/31/30/1338663130.db2.gz AEIXYDLATSZLHZ-ZWKOTPCHSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016663366 1338683896 /nfs/dbraw/zinc/68/38/96/1338683896.db2.gz QEDWXXRMBNOTSZ-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016819661 1338737784 /nfs/dbraw/zinc/73/77/84/1338737784.db2.gz LSHVRVIBNKTWNX-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016861683 1338750568 /nfs/dbraw/zinc/75/05/68/1338750568.db2.gz PEIVSPDGWJQQCT-RTBURBONSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016922452 1338771014 /nfs/dbraw/zinc/77/10/14/1338771014.db2.gz CVVGZMHLKRYULV-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016986429 1338793485 /nfs/dbraw/zinc/79/34/85/1338793485.db2.gz QWSQOANYJXVGGD-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001017129122 1338884948 /nfs/dbraw/zinc/88/49/48/1338884948.db2.gz YARMISCFAAAQFZ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001017137441 1338891330 /nfs/dbraw/zinc/89/13/30/1338891330.db2.gz FOTSLGLPYFRDGF-OAHLLOKOSA-N 2 0 337.533 3.002 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001017141816 1338894283 /nfs/dbraw/zinc/89/42/83/1338894283.db2.gz JHBTZDJRSCYLRP-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001017146764 1338896403 /nfs/dbraw/zinc/89/64/03/1338896403.db2.gz RHZHVDKIRVIOGU-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017228931 1338967566 /nfs/dbraw/zinc/96/75/66/1338967566.db2.gz UDBRAOVHRHHUDS-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001028264298 1340520274 /nfs/dbraw/zinc/52/02/74/1340520274.db2.gz DCVJQRGSPULOTC-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001028264297 1340520507 /nfs/dbraw/zinc/52/05/07/1340520507.db2.gz DCVJQRGSPULOTC-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCC2)c1 ZINC001028334132 1340571219 /nfs/dbraw/zinc/57/12/19/1340571219.db2.gz SZBVMAGRSCEUAJ-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343012 1340582558 /nfs/dbraw/zinc/58/25/58/1340582558.db2.gz KBVBKXCTTVDEKV-IRXDYDNUSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028538029 1340693916 /nfs/dbraw/zinc/69/39/16/1340693916.db2.gz XXUFJYSFKQFHGI-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028579710 1340712466 /nfs/dbraw/zinc/71/24/66/1340712466.db2.gz HJFDLUIPLICWOM-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028580386 1340713375 /nfs/dbraw/zinc/71/33/75/1340713375.db2.gz VOLAWAGEJDFLDE-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028644525 1340740326 /nfs/dbraw/zinc/74/03/26/1340740326.db2.gz BBRLTNUGJVNPJB-QGZVFWFLSA-N 2 0 342.487 3.131 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001028754515 1340790436 /nfs/dbraw/zinc/79/04/36/1340790436.db2.gz GFBCMMQUQIZZCR-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001029065556 1340922233 /nfs/dbraw/zinc/92/22/33/1340922233.db2.gz HSJUFOOPCAQSPG-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001029105018 1340931256 /nfs/dbraw/zinc/93/12/56/1340931256.db2.gz JQWMYACFVQZGQD-CQSZACIVSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001029108770 1340931939 /nfs/dbraw/zinc/93/19/39/1340931939.db2.gz PWGCACWQIGSXEM-KRWDZBQOSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001029145633 1340942784 /nfs/dbraw/zinc/94/27/84/1340942784.db2.gz BXYCDPSADKSYQU-ZWKOTPCHSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029165881 1340946617 /nfs/dbraw/zinc/94/66/17/1340946617.db2.gz RHXGFVMWTMXRKG-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001029474284 1340998094 /nfs/dbraw/zinc/99/80/94/1340998094.db2.gz PUWGVVIZPLGVTF-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001029756110 1341064064 /nfs/dbraw/zinc/06/40/64/1341064064.db2.gz QSEGXBFIQNITPO-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001029755449 1341064215 /nfs/dbraw/zinc/06/42/15/1341064215.db2.gz NETZQYIHWOPEIQ-QZTJIDSGSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001029767610 1341066672 /nfs/dbraw/zinc/06/66/72/1341066672.db2.gz VVFNBEQFYUZIGR-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001029969739 1341138729 /nfs/dbraw/zinc/13/87/29/1341138729.db2.gz UPSIQQMYKGBWMO-LYBXBRPPSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC(C[N@H+](C)CC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001029981895 1341143461 /nfs/dbraw/zinc/14/34/61/1341143461.db2.gz GLQDRPZXDKSXRE-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC001030010119 1341157097 /nfs/dbraw/zinc/15/70/97/1341157097.db2.gz DTEJISJAVZLGFR-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001030020914 1341159786 /nfs/dbraw/zinc/15/97/86/1341159786.db2.gz OQKZEWIWIOGDHU-ZYSHUDEJSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001030432301 1341186992 /nfs/dbraw/zinc/18/69/92/1341186992.db2.gz CYHHWRKFFPUZNV-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001031188394 1341292320 /nfs/dbraw/zinc/29/23/20/1341292320.db2.gz KNNUSFAIOSYWHU-MSOLQXFVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031584894 1341371758 /nfs/dbraw/zinc/37/17/58/1341371758.db2.gz LLEWSETVKNXBLX-OXJNMPFZSA-N 2 0 343.515 3.013 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001031715590 1341392065 /nfs/dbraw/zinc/39/20/65/1341392065.db2.gz WSEZAGPMOCEWJP-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001031917106 1341421656 /nfs/dbraw/zinc/42/16/56/1341421656.db2.gz NSELXACQTOZYSW-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032804029 1341619575 /nfs/dbraw/zinc/61/95/75/1341619575.db2.gz ULANPTJRVWOWSV-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001033098112 1341721338 /nfs/dbraw/zinc/72/13/38/1341721338.db2.gz CEKNCYVMXFCWCT-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033144952 1341738782 /nfs/dbraw/zinc/73/87/82/1341738782.db2.gz CWLBYKFJHWQHEB-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033145900 1341739252 /nfs/dbraw/zinc/73/92/52/1341739252.db2.gz LOOZRLFYELDMJC-QZTJIDSGSA-N 2 0 349.544 3.044 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033353043 1341793470 /nfs/dbraw/zinc/79/34/70/1341793470.db2.gz CYXKXDDHFOCJGJ-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001033357749 1341795686 /nfs/dbraw/zinc/79/56/86/1341795686.db2.gz BVASHQPSYXXZPX-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033416998 1341820765 /nfs/dbraw/zinc/82/07/65/1341820765.db2.gz SYWXBKCTLQKCSN-PKOBYXMFSA-N 2 0 343.515 3.012 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033426442 1341822002 /nfs/dbraw/zinc/82/20/02/1341822002.db2.gz QQRUZRUUWDVSMS-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001033546842 1341865947 /nfs/dbraw/zinc/86/59/47/1341865947.db2.gz GTNJOJQLOFUANI-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001033570510 1341878384 /nfs/dbraw/zinc/87/83/84/1341878384.db2.gz BAGWVHYANNQWBV-OALUTQOASA-N 2 0 335.536 3.140 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033680709 1341947678 /nfs/dbraw/zinc/94/76/78/1341947678.db2.gz MKHFOSHRBOTDNB-LJQANCHMSA-N 2 0 343.515 3.085 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC=C(C)C)C2)o1 ZINC001033698956 1341965771 /nfs/dbraw/zinc/96/57/71/1341965771.db2.gz GSDGSDOQSWFYHH-KRWDZBQOSA-N 2 0 347.503 3.234 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001033988383 1342132882 /nfs/dbraw/zinc/13/28/82/1342132882.db2.gz DNVDIHGOKDIWLG-APWZRJJASA-N 2 0 349.494 3.033 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001034045577 1342186509 /nfs/dbraw/zinc/18/65/09/1342186509.db2.gz LLORUZKXKRHPIW-FQEVSTJZSA-N 2 0 343.515 3.251 20 0 EGADRP CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050366 1342191473 /nfs/dbraw/zinc/19/14/73/1342191473.db2.gz KNGKPZOVKLMFNC-INIZCTEOSA-N 2 0 335.492 3.068 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001034217866 1342324130 /nfs/dbraw/zinc/32/41/30/1342324130.db2.gz WNVSWOHHFAURGT-HSALFYBXSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034239209 1342340672 /nfs/dbraw/zinc/34/06/72/1342340672.db2.gz JCEVWTOLKJQOEW-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290060 1342375825 /nfs/dbraw/zinc/37/58/25/1342375825.db2.gz DMRBXXVTCRTVJE-GOSISDBHSA-N 2 0 342.487 3.355 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289484 1342375940 /nfs/dbraw/zinc/37/59/40/1342375940.db2.gz UNVJWRYZPLGUNI-MOPGFXCFSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034290088 1342376372 /nfs/dbraw/zinc/37/63/72/1342376372.db2.gz FUVLODBMFHXBLQ-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291549 1342377115 /nfs/dbraw/zinc/37/71/15/1342377115.db2.gz ZHHUPQAYYGDRKY-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291639 1342377279 /nfs/dbraw/zinc/37/72/79/1342377279.db2.gz NAFKFRIRZWLWAI-LJQANCHMSA-N 2 0 348.450 3.119 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034397749 1342465215 /nfs/dbraw/zinc/46/52/15/1342465215.db2.gz LEBPRZBGKVVDIC-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034406139 1342469793 /nfs/dbraw/zinc/46/97/93/1342469793.db2.gz WKYGVFHAFSWNQC-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439002 1342500957 /nfs/dbraw/zinc/50/09/57/1342500957.db2.gz REQGBCKDVWQTJT-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034538137 1342594608 /nfs/dbraw/zinc/59/46/08/1342594608.db2.gz JCMRDWXZCGSEFD-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538322 1342596833 /nfs/dbraw/zinc/59/68/33/1342596833.db2.gz LRBLDPFGOWYRQK-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)CC[N@@H+]1C ZINC001034648077 1342669225 /nfs/dbraw/zinc/66/92/25/1342669225.db2.gz XLBDORAZGJEVSH-VBSBHUPXSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC001034672376 1342683545 /nfs/dbraw/zinc/68/35/45/1342683545.db2.gz LKCXEJXSQQOGQD-VBSBHUPXSA-N 2 0 343.515 3.249 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034683782 1342690494 /nfs/dbraw/zinc/69/04/94/1342690494.db2.gz ZZFFDXPIIUFYSY-WFAGLZIHSA-N 2 0 349.563 3.170 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(C)C)CC1 ZINC001034775389 1342753465 /nfs/dbraw/zinc/75/34/65/1342753465.db2.gz NTZNYDQRTBAXNI-FHWLQOOXSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034953703 1342851681 /nfs/dbraw/zinc/85/16/81/1342851681.db2.gz GZPKFZVMEZGZEF-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957882 1342852524 /nfs/dbraw/zinc/85/25/24/1342852524.db2.gz NXEAXDOYSYQFPX-PKOBYXMFSA-N 2 0 343.515 3.121 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034962556 1342854714 /nfs/dbraw/zinc/85/47/14/1342854714.db2.gz TYMYGRZMGXFNPS-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034984996 1342864804 /nfs/dbraw/zinc/86/48/04/1342864804.db2.gz KBWYLNLCLJZLKJ-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)[NH+]1CCCCCC1 ZINC001035071236 1342911998 /nfs/dbraw/zinc/91/19/98/1342911998.db2.gz REKUIUGWWXIUSZ-FUHWJXTLSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819884 1357100080 /nfs/dbraw/zinc/10/00/80/1357100080.db2.gz SZWJCIMJRFZNDO-RTBURBONSA-N 2 0 343.515 3.035 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217294 1343037613 /nfs/dbraw/zinc/03/76/13/1343037613.db2.gz OPQMSPBDXITVIV-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035227135 1343048709 /nfs/dbraw/zinc/04/87/09/1343048709.db2.gz OOFXLISDXQGJBJ-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](C(C)C)C2)CC1 ZINC001035244109 1343065063 /nfs/dbraw/zinc/06/50/63/1343065063.db2.gz ITVSZRRKSOKYNU-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035259959 1343087383 /nfs/dbraw/zinc/08/73/83/1343087383.db2.gz KGTNPSJSKIJDBF-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(CC)CC)C2)CC1 ZINC001035717861 1343150459 /nfs/dbraw/zinc/15/04/59/1343150459.db2.gz VAEIYAGXUWVLGW-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035721636 1343152046 /nfs/dbraw/zinc/15/20/46/1343152046.db2.gz XOCXJQXVZUAVDG-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001036099122 1343312783 /nfs/dbraw/zinc/31/27/83/1343312783.db2.gz XLWVYTNSUYVUDE-FUHWJXTLSA-N 2 0 337.552 3.122 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001037017998 1343932941 /nfs/dbraw/zinc/93/29/41/1343932941.db2.gz NSBBLJBLYYMEIO-WBVHZDCISA-N 2 0 349.544 3.098 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001037078388 1343970811 /nfs/dbraw/zinc/97/08/11/1343970811.db2.gz IZLJACGOFIUECH-OALUTQOASA-N 2 0 347.547 3.093 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001037212467 1344045631 /nfs/dbraw/zinc/04/56/31/1344045631.db2.gz MGGRWODWUAWPIP-WBVHZDCISA-N 2 0 349.544 3.098 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001037238595 1344061030 /nfs/dbraw/zinc/06/10/30/1344061030.db2.gz YUUXEBIYURXYJU-OALUTQOASA-N 2 0 331.504 3.035 20 0 EGADRP CC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037927393 1344186193 /nfs/dbraw/zinc/18/61/93/1344186193.db2.gz ANQUEHVSCDYQAC-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037975790 1344215098 /nfs/dbraw/zinc/21/50/98/1344215098.db2.gz IYBBFKQGLSSQOP-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001037979650 1344217485 /nfs/dbraw/zinc/21/74/85/1344217485.db2.gz TYIPSYDOLUCZLY-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001037978658 1344217489 /nfs/dbraw/zinc/21/74/89/1344217489.db2.gz MUMVSZWAIWPPDU-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1[NH2+]CC(C)C ZINC001037982033 1344219344 /nfs/dbraw/zinc/21/93/44/1344219344.db2.gz INDCIRQUEUQBSW-XLIONFOSSA-N 2 0 345.531 3.235 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038329249 1344382818 /nfs/dbraw/zinc/38/28/18/1344382818.db2.gz PASZNLIEXPJQCX-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCC1 ZINC001038901821 1344642316 /nfs/dbraw/zinc/64/23/16/1344642316.db2.gz AJERMTKFVSMBPT-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039136963 1344816018 /nfs/dbraw/zinc/81/60/18/1344816018.db2.gz LEVHQOVWEZTBQA-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137316 1344817245 /nfs/dbraw/zinc/81/72/45/1344817245.db2.gz GIKSRQICSFOKAJ-VQTJNVASSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@H]3CC[NH+](C(C)C)C3)CC2)C1 ZINC001039152359 1344835924 /nfs/dbraw/zinc/83/59/24/1344835924.db2.gz XPOXQZYWGQUEAM-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039183123 1344881009 /nfs/dbraw/zinc/88/10/09/1344881009.db2.gz WOVRHNIGANDEOS-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241778 1344967763 /nfs/dbraw/zinc/96/77/63/1344967763.db2.gz IIWPGSWOIOZVCT-PMACEKPBSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039258577 1344986751 /nfs/dbraw/zinc/98/67/51/1344986751.db2.gz XZVCSEVASYXIBT-WOJBJXKFSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447747 1345072303 /nfs/dbraw/zinc/07/23/03/1345072303.db2.gz IGHXBQAXWZIPAW-AABGKKOBSA-N 2 0 349.563 3.361 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001039492396 1345112626 /nfs/dbraw/zinc/11/26/26/1345112626.db2.gz KXGDKVQVACYMHR-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001039913580 1345244974 /nfs/dbraw/zinc/24/49/74/1345244974.db2.gz AZAGKESDYZCCTB-YSIASYRMSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040261779 1345400330 /nfs/dbraw/zinc/40/03/30/1345400330.db2.gz AJQCNROVGQCOMY-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387604 1345471020 /nfs/dbraw/zinc/47/10/20/1345471020.db2.gz DTVSYLBLSNMGRS-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430340 1345492787 /nfs/dbraw/zinc/49/27/87/1345492787.db2.gz AWWVHGCVVDTKBA-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040707455 1345567997 /nfs/dbraw/zinc/56/79/97/1345567997.db2.gz CFBHYQWYYDBDMC-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726095 1345571327 /nfs/dbraw/zinc/57/13/27/1345571327.db2.gz IUUVSONDWYMCQH-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040732319 1345572325 /nfs/dbraw/zinc/57/23/25/1345572325.db2.gz GSZPRMRFDFDCTJ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001040894330 1345595117 /nfs/dbraw/zinc/59/51/17/1345595117.db2.gz IIHRQHRYRGRYCR-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@]3(CC[NH+](CCC(C)C)C3)C2)C1 ZINC001041587760 1345783747 /nfs/dbraw/zinc/78/37/47/1345783747.db2.gz RULQTQPMEGYFEA-FPOVZHCZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724490 1345833201 /nfs/dbraw/zinc/83/32/01/1345833201.db2.gz YYXGQGQSZIDAOU-PZJWPPBQSA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743985 1345838691 /nfs/dbraw/zinc/83/86/91/1345838691.db2.gz RRYYDBWMBGMZDF-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767613 1345843458 /nfs/dbraw/zinc/84/34/58/1345843458.db2.gz JUFZUNAUZXVERY-OAQYLSRUSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063372 1345933385 /nfs/dbraw/zinc/93/33/85/1345933385.db2.gz VSPJMIQIWFYLSS-MOPGFXCFSA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371026 1346060757 /nfs/dbraw/zinc/06/07/57/1346060757.db2.gz KDXJICFJXFQXIC-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042725130 1346110787 /nfs/dbraw/zinc/11/07/87/1346110787.db2.gz LPWVJPLKVVPIEA-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC(CC)CC)C1 ZINC001044170978 1346265294 /nfs/dbraw/zinc/26/52/94/1346265294.db2.gz ZXXWRDMJWXDZCT-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767625 1346424492 /nfs/dbraw/zinc/42/44/92/1346424492.db2.gz QBMICHGCQHTMMP-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001044778533 1346426586 /nfs/dbraw/zinc/42/65/86/1346426586.db2.gz ZIUXDRQOHLTVIE-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C[C@H]2C)CC1 ZINC001044794256 1346429277 /nfs/dbraw/zinc/42/92/77/1346429277.db2.gz UYVVHUXWGIIBLY-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001045038220 1346484573 /nfs/dbraw/zinc/48/45/73/1346484573.db2.gz TZKXXZUKCCSRCZ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045061139 1346488385 /nfs/dbraw/zinc/48/83/85/1346488385.db2.gz UDLVARYFZDQDAT-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045068408 1346489196 /nfs/dbraw/zinc/48/91/96/1346489196.db2.gz KOQRTYJIJPJCOL-MSOLQXFVSA-N 2 0 349.544 3.092 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001045229796 1346536396 /nfs/dbraw/zinc/53/63/96/1346536396.db2.gz VITTXGFGEIDSFK-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001045528782 1346617977 /nfs/dbraw/zinc/61/79/77/1346617977.db2.gz DAYJEAMKZZMTTK-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045584548 1346637132 /nfs/dbraw/zinc/63/71/32/1346637132.db2.gz GQPLIAASORDSDL-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045585056 1346637793 /nfs/dbraw/zinc/63/77/93/1346637793.db2.gz MHSHVQKIZUBPHV-RBUKOAKNSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)CC1 ZINC001045607848 1346644842 /nfs/dbraw/zinc/64/48/42/1346644842.db2.gz CUSMXAHTBHCJRY-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045790371 1346699340 /nfs/dbraw/zinc/69/93/40/1346699340.db2.gz HYYUYGKVWHSLJU-CEXWTWQISA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)CCC1 ZINC001045793746 1346699766 /nfs/dbraw/zinc/69/97/66/1346699766.db2.gz YYFAJMIVPBOYEA-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940577 1346776382 /nfs/dbraw/zinc/77/63/82/1346776382.db2.gz AYMQYLKWGPNHMM-CTNGQTDRSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977537 1346813528 /nfs/dbraw/zinc/81/35/28/1346813528.db2.gz GMOUCZOZCIXBFM-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046316022 1346931877 /nfs/dbraw/zinc/93/18/77/1346931877.db2.gz MHBXAOVNOBGYLP-PZJWPPBQSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001046453708 1346980167 /nfs/dbraw/zinc/98/01/67/1346980167.db2.gz IZADBMXFCDUDQC-NRFANRHFSA-N 2 0 348.450 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046561439 1347017856 /nfs/dbraw/zinc/01/78/56/1347017856.db2.gz GURSDQPLFZLHGF-CTNGQTDRSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001046568754 1347021762 /nfs/dbraw/zinc/02/17/62/1347021762.db2.gz CDWVMRGOKHZTNM-CUWPLCDZSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047243073 1347268810 /nfs/dbraw/zinc/26/88/10/1347268810.db2.gz VXRAIDIVTQVYNV-MISYRCLQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047245137 1347270586 /nfs/dbraw/zinc/27/05/86/1347270586.db2.gz XRRXXEUGMRTFMY-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574184 1347600148 /nfs/dbraw/zinc/60/01/48/1347600148.db2.gz RRYGYJINMDEHCC-KNJMJIDISA-N 2 0 347.547 3.019 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860822 1347672350 /nfs/dbraw/zinc/67/23/50/1347672350.db2.gz DELATNKIGWNBPU-ZCNNSNEGSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]2C1)[NH+](C)C ZINC001049065971 1347717533 /nfs/dbraw/zinc/71/75/33/1347717533.db2.gz ATDBPFQTVIPXKK-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097791 1347724525 /nfs/dbraw/zinc/72/45/25/1347724525.db2.gz TYVPQVRXFLRXQY-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001049165085 1347737455 /nfs/dbraw/zinc/73/74/55/1347737455.db2.gz GOQPKAZOGXWCGF-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049466123 1347861438 /nfs/dbraw/zinc/86/14/38/1347861438.db2.gz ZNBWNHZZXBUPSQ-GBESFXJTSA-N 2 0 349.563 3.361 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1)C1CCC1 ZINC001049521968 1347890324 /nfs/dbraw/zinc/89/03/24/1347890324.db2.gz NCZXLPHVHNKGDP-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001049531590 1347894412 /nfs/dbraw/zinc/89/44/12/1347894412.db2.gz CJWWGGVJGBMRRH-AQNXPRMDSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001049533127 1347895248 /nfs/dbraw/zinc/89/52/48/1347895248.db2.gz MOONIKFQWRGSOL-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049727562 1347991247 /nfs/dbraw/zinc/99/12/47/1347991247.db2.gz KEUHZGLOSNRYPS-UFYCRDLUSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049727564 1347991423 /nfs/dbraw/zinc/99/14/23/1347991423.db2.gz KEUHZGLOSNRYPS-ZCNNSNEGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049760659 1348005713 /nfs/dbraw/zinc/00/57/13/1348005713.db2.gz APBDAYFUPLDSKD-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)CC1 ZINC001050570997 1348291988 /nfs/dbraw/zinc/29/19/88/1348291988.db2.gz CKXWWZVKTLFPTM-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079849028 1357400612 /nfs/dbraw/zinc/40/06/12/1357400612.db2.gz MRPNZPNVWIWXNT-NZSAHSFTSA-N 2 0 337.552 3.122 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850393 1357400655 /nfs/dbraw/zinc/40/06/55/1357400655.db2.gz LUBQQCLMXFSNQM-AHRSYUTCSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001050729855 1348340063 /nfs/dbraw/zinc/34/00/63/1348340063.db2.gz CTVBFUJMVQQBKP-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052369829 1348534398 /nfs/dbraw/zinc/53/43/98/1348534398.db2.gz VVAONPCMOJBIPT-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC001052767629 1348671405 /nfs/dbraw/zinc/67/14/05/1348671405.db2.gz XKVNBPXLVGKZBK-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052955402 1348769979 /nfs/dbraw/zinc/76/99/79/1348769979.db2.gz FLVGDQYCXZNUFB-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052956563 1348771049 /nfs/dbraw/zinc/77/10/49/1348771049.db2.gz UUJGMVMDVTYBKD-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029900 1348829200 /nfs/dbraw/zinc/82/92/00/1348829200.db2.gz XZXRLQHWGRHHRU-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044574 1348845301 /nfs/dbraw/zinc/84/53/01/1348845301.db2.gz QEBMWTSLCKFQIZ-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046360 1348848174 /nfs/dbraw/zinc/84/81/74/1348848174.db2.gz JMWMHTDLLIDSHC-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108532 1348947615 /nfs/dbraw/zinc/94/76/15/1348947615.db2.gz VVWGVSFVBCLVLZ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054197613 1349199217 /nfs/dbraw/zinc/19/92/17/1349199217.db2.gz FVEDWQBGIVOFRU-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198292 1349200153 /nfs/dbraw/zinc/20/01/53/1349200153.db2.gz UVPMLNYEQBCWNK-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001054226480 1349220621 /nfs/dbraw/zinc/22/06/21/1349220621.db2.gz QUXLZVTVANCLQF-PZJWPPBQSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001054297493 1349301888 /nfs/dbraw/zinc/30/18/88/1349301888.db2.gz JZMCEPFJSGOVBL-NSHGMRRFSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054648898 1349429037 /nfs/dbraw/zinc/42/90/37/1349429037.db2.gz KKPLXVKQKJUSCN-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254681 1357537403 /nfs/dbraw/zinc/53/74/03/1357537403.db2.gz BCKJQXINPUNIDK-JWHDQAAXSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001183129574 1387267271 /nfs/dbraw/zinc/26/72/71/1387267271.db2.gz UXUWJVQWBRHSJJ-WSTZPKSXSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071628183 1354811769 /nfs/dbraw/zinc/81/17/69/1354811769.db2.gz NYTNFVIZPOTYBL-WBVHZDCISA-N 2 0 340.471 3.192 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1Cc1ccccc1 ZINC001071653046 1354827696 /nfs/dbraw/zinc/82/76/96/1354827696.db2.gz RLCHQYQRGKTODJ-VQIMIIECSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCC1CCCC1 ZINC001071736087 1354888481 /nfs/dbraw/zinc/88/84/81/1354888481.db2.gz XIQLKBAGZNSJSG-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC1CCCCCC1 ZINC001071796820 1354941623 /nfs/dbraw/zinc/94/16/23/1354941623.db2.gz YADSCSWLRDXNOZ-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCCC1CCC1 ZINC001071822204 1354962701 /nfs/dbraw/zinc/96/27/01/1354962701.db2.gz VTXPTAMKPFIIHL-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCC(C)(C)C ZINC001071870755 1354996083 /nfs/dbraw/zinc/99/60/83/1354996083.db2.gz DLWKAPNOKORJMF-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCCC1CCC1 ZINC001071871724 1354996669 /nfs/dbraw/zinc/99/66/69/1354996669.db2.gz JYAYAUNSHJSTFV-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071871993 1354996806 /nfs/dbraw/zinc/99/68/06/1354996806.db2.gz KPSDSEPKPQBXMR-QFBILLFUSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCC1CCCC1 ZINC001071872666 1354998462 /nfs/dbraw/zinc/99/84/62/1354998462.db2.gz PJRPVIBETCACGA-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC3CCCC3)C2)CC1 ZINC001071930345 1355030338 /nfs/dbraw/zinc/03/03/38/1355030338.db2.gz CXBXJHHTRAQSCZ-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109357 1355136196 /nfs/dbraw/zinc/13/61/96/1355136196.db2.gz FSVXPWDFDQODSS-HZPDHXFCSA-N 2 0 335.492 3.114 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001074648741 1356221201 /nfs/dbraw/zinc/22/12/01/1356221201.db2.gz IHJOHSAXSHHHKN-IHPCNDPISA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074695332 1356224259 /nfs/dbraw/zinc/22/42/59/1356224259.db2.gz XGVHLWOACDGCHC-IHPCNDPISA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C)c1 ZINC001074687072 1356224363 /nfs/dbraw/zinc/22/43/63/1356224363.db2.gz PTUFAVQEYPZRBQ-UWVAXJGDSA-N 2 0 343.515 3.119 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)[C@@H]1C)[NH+](C)C ZINC001074709504 1356227623 /nfs/dbraw/zinc/22/76/23/1356227623.db2.gz FOSWXYNJOUUCMC-UDTPNQRGSA-N 2 0 349.494 3.196 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C)c1ccccc1 ZINC001082619932 1358065973 /nfs/dbraw/zinc/06/59/73/1358065973.db2.gz JUDDWBXQUAGQFQ-JXXFODFXSA-N 2 0 348.450 3.146 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082852207 1358099212 /nfs/dbraw/zinc/09/92/12/1358099212.db2.gz ZNQPGJBBMWGICL-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199671 1358432085 /nfs/dbraw/zinc/43/20/85/1358432085.db2.gz XORVDWXVESIMGK-BHIYHBOVSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085245837 1358443264 /nfs/dbraw/zinc/44/32/64/1358443264.db2.gz PDWBRFGPJRFFFV-AQNXPRMDSA-N 2 0 347.547 3.378 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001085260354 1358445987 /nfs/dbraw/zinc/44/59/87/1358445987.db2.gz JJNDKLLDWKCBNQ-NRERDWFFSA-N 2 0 340.471 3.011 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)CC1 ZINC001085319609 1358464242 /nfs/dbraw/zinc/46/42/42/1358464242.db2.gz GACPZHYGDKSRGJ-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085432016 1358498321 /nfs/dbraw/zinc/49/83/21/1358498321.db2.gz DWHYSTYKRFLKPU-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085593830 1358620021 /nfs/dbraw/zinc/62/00/21/1358620021.db2.gz SGEIXBZAYCSNFN-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001085603999 1358627441 /nfs/dbraw/zinc/62/74/41/1358627441.db2.gz UHTOPBOLCYPJIU-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085687559 1358688097 /nfs/dbraw/zinc/68/80/97/1358688097.db2.gz QQDHTKYBNAJXIH-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085696039 1358691418 /nfs/dbraw/zinc/69/14/18/1358691418.db2.gz YJELGUWSSXPJOM-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695959 1358691674 /nfs/dbraw/zinc/69/16/74/1358691674.db2.gz WEWPFZZUYRYBDX-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001085901412 1358860327 /nfs/dbraw/zinc/86/03/27/1358860327.db2.gz DWSKJLSDRBKXOT-LJQANCHMSA-N 2 0 349.563 3.076 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085987733 1358939667 /nfs/dbraw/zinc/93/96/67/1358939667.db2.gz KKWRRXXUIRKZGD-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC001340774250 1390364317 /nfs/dbraw/zinc/36/43/17/1390364317.db2.gz MELHIFJQGCPPMU-WMZOPIPTSA-N 2 0 325.541 3.158 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001086091166 1358993252 /nfs/dbraw/zinc/99/32/52/1358993252.db2.gz MBGXQTCPGXLACW-LPLOCXIKSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001086243693 1359040205 /nfs/dbraw/zinc/04/02/05/1359040205.db2.gz XBQUGLWVOLSWRQ-PUZFROQSSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086250875 1359042416 /nfs/dbraw/zinc/04/24/16/1359042416.db2.gz QJGHIKDBGMCRBR-ZCFHBRKKSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086278189 1359051430 /nfs/dbraw/zinc/05/14/30/1359051430.db2.gz LEOLMMWXHQADBP-ZCFHBRKKSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086402131 1359087798 /nfs/dbraw/zinc/08/77/98/1359087798.db2.gz IZIFATPUVXVUOD-CGBFIWBNSA-N 2 0 343.515 3.025 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001086403160 1359088663 /nfs/dbraw/zinc/08/86/63/1359088663.db2.gz YFHLATGNBKQEMJ-LFGUQSLTSA-N 2 0 343.515 3.025 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086459919 1359103898 /nfs/dbraw/zinc/10/38/98/1359103898.db2.gz ASTLTSFOCXDFKX-SAABIXHNSA-N 2 0 347.503 3.020 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC3)C2)o1 ZINC001086562752 1359148286 /nfs/dbraw/zinc/14/82/86/1359148286.db2.gz GQDDLTICHJBGDP-QAQDUYKDSA-N 2 0 347.503 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001086701252 1359187940 /nfs/dbraw/zinc/18/79/40/1359187940.db2.gz LWFFJZGPHLPDQU-ZGXWSNOMSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086711867 1359190390 /nfs/dbraw/zinc/19/03/90/1359190390.db2.gz FOGFSOOYLJODLB-UHOSZYNNSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001086715638 1359190748 /nfs/dbraw/zinc/19/07/48/1359190748.db2.gz PWZWULPVOHDNHY-XUVXKRRUSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086734333 1359192915 /nfs/dbraw/zinc/19/29/15/1359192915.db2.gz CQWUUJLXSYVEEW-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086734334 1359193208 /nfs/dbraw/zinc/19/32/08/1359193208.db2.gz CQWUUJLXSYVEEW-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001086793946 1359202567 /nfs/dbraw/zinc/20/25/67/1359202567.db2.gz UJIMUGARQYQDOW-AZUAARDMSA-N 2 0 347.547 3.093 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925190 1359250166 /nfs/dbraw/zinc/25/01/66/1359250166.db2.gz NUDDSEVRJVHZSE-GBESFXJTSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2 ZINC001086926968 1359252201 /nfs/dbraw/zinc/25/22/01/1359252201.db2.gz OTSOWLFVOPPEDY-MOPGFXCFSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001086930929 1359254672 /nfs/dbraw/zinc/25/46/72/1359254672.db2.gz UNUGXMZMEOFGDC-INIZCTEOSA-N 2 0 340.471 3.059 20 0 EGADRP CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001086949079 1359270161 /nfs/dbraw/zinc/27/01/61/1359270161.db2.gz QKHXRRWPDLZEIS-KRWDZBQOSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952252 1359272575 /nfs/dbraw/zinc/27/25/75/1359272575.db2.gz DAKMLJSZEPGFJR-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957254 1359278341 /nfs/dbraw/zinc/27/83/41/1359278341.db2.gz IUGNZIVZBSMCAW-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001087230881 1359327050 /nfs/dbraw/zinc/32/70/50/1359327050.db2.gz RLGKCWMEDDZEQM-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1Cc1ccsc1 ZINC001087569984 1359536432 /nfs/dbraw/zinc/53/64/32/1359536432.db2.gz VHJYEURNNCYYNJ-RCCFBDPRSA-N 2 0 349.544 3.090 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087593415 1359546471 /nfs/dbraw/zinc/54/64/71/1359546471.db2.gz GCLCTPDZRUVXEN-IPMKNSEASA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087725299 1359612622 /nfs/dbraw/zinc/61/26/22/1359612622.db2.gz KISBBCVFCZXPDM-YSIASYRMSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CC1CCC1 ZINC001087749475 1359626482 /nfs/dbraw/zinc/62/64/82/1359626482.db2.gz MVEJNWZGUJIPFC-OTWHNJEPSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CC=C(C)C ZINC001087749585 1359626780 /nfs/dbraw/zinc/62/67/80/1359626780.db2.gz QISQQNWTYKRYCT-OTWHNJEPSA-N 2 0 335.536 3.185 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1CC ZINC001087791900 1359648484 /nfs/dbraw/zinc/64/84/84/1359648484.db2.gz BVHDUWLIBFRMLS-OTWHNJEPSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001088327100 1359831289 /nfs/dbraw/zinc/83/12/89/1359831289.db2.gz FZHIZZZJTOWHPH-QGZVFWFLSA-N 2 0 349.544 3.093 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001088425372 1359893636 /nfs/dbraw/zinc/89/36/36/1359893636.db2.gz ULLTZBDGGBYPOH-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430023 1359897568 /nfs/dbraw/zinc/89/75/68/1359897568.db2.gz GDBOJDWXEBMVLV-GOSISDBHSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1C ZINC001088621786 1359993525 /nfs/dbraw/zinc/99/35/25/1359993525.db2.gz TVWDXOXWPSUYRV-NXHRZFHOSA-N 2 0 349.544 3.090 20 0 EGADRP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)c1 ZINC001088708037 1360016656 /nfs/dbraw/zinc/01/66/56/1360016656.db2.gz BDMIIGLIKWKMTG-UZLBHIALSA-N 2 0 348.450 3.036 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897718 1360097640 /nfs/dbraw/zinc/09/76/40/1360097640.db2.gz UQJUOPXGQRGKAF-HBFSDRIKSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cccc(C)c1)[NH+](C)C ZINC001089191931 1360240264 /nfs/dbraw/zinc/24/02/64/1360240264.db2.gz IFDIDAOOKUWSFA-VQTJNVASSA-N 2 0 345.531 3.148 20 0 EGADRP C[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1)[NH+]1CCCCCC1 ZINC001089236052 1360274510 /nfs/dbraw/zinc/27/45/10/1360274510.db2.gz HQHJCPJDCYSBGL-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CC2)c1 ZINC001089259046 1360288423 /nfs/dbraw/zinc/28/84/23/1360288423.db2.gz BNRCGDRFTZGPOK-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334516 1360348087 /nfs/dbraw/zinc/34/80/87/1360348087.db2.gz IJNOFRIONIBDEU-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184411817 1387452322 /nfs/dbraw/zinc/45/23/22/1387452322.db2.gz IWCBCKZRGIZORA-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558195 1360506874 /nfs/dbraw/zinc/50/68/74/1360506874.db2.gz FPEGRMOVUNIUHE-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561973 1360509010 /nfs/dbraw/zinc/50/90/10/1360509010.db2.gz VGAHJEYMMZSUEV-LJQANCHMSA-N 2 0 345.531 3.377 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089639388 1360552955 /nfs/dbraw/zinc/55/29/55/1360552955.db2.gz VJEVAXRSFQZVNK-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089665114 1360575594 /nfs/dbraw/zinc/57/55/94/1360575594.db2.gz UNMTWXQKGVFMKV-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CC2)C1 ZINC001089683771 1360589809 /nfs/dbraw/zinc/58/98/09/1360589809.db2.gz FXAQGRIFZIXHNJ-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092604555 1361420287 /nfs/dbraw/zinc/42/02/87/1361420287.db2.gz MHZYPCGBFFOQHB-MISYRCLQSA-N 2 0 347.547 3.044 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184711894 1387517253 /nfs/dbraw/zinc/51/72/53/1387517253.db2.gz HVMWADUPVNLQGB-AEFFLSMTSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379765 1361590710 /nfs/dbraw/zinc/59/07/10/1361590710.db2.gz INIZEARUMKINLN-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184736454 1387524115 /nfs/dbraw/zinc/52/41/15/1387524115.db2.gz UXZQVBMBDTZKTI-AEFFLSMTSA-N 2 0 342.487 3.212 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001093836058 1361704237 /nfs/dbraw/zinc/70/42/37/1361704237.db2.gz UQQZQFXKKGOHBS-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450452 1361806263 /nfs/dbraw/zinc/80/62/63/1361806263.db2.gz PJVPNXXPMCWMJL-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891398 1387555888 /nfs/dbraw/zinc/55/58/88/1387555888.db2.gz FVUBPQXADHGKFN-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)CC[N@@H+]1C ZINC001095441089 1362142383 /nfs/dbraw/zinc/14/23/83/1362142383.db2.gz NTCMOOWUAZWFTL-CXQPBAHBSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533740 1362163455 /nfs/dbraw/zinc/16/34/55/1362163455.db2.gz LPLOJFYPPFKVRW-FYQPLNBISA-N 2 0 347.547 3.161 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184892847 1387556848 /nfs/dbraw/zinc/55/68/48/1387556848.db2.gz RZKXVOCFILPSCL-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)CC1 ZINC001096269500 1362452407 /nfs/dbraw/zinc/45/24/07/1362452407.db2.gz VVWBWYRJJAXEAE-QYZOEREBSA-N 2 0 349.563 3.265 20 0 EGADRP CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C3)C1 ZINC001097075616 1362834040 /nfs/dbraw/zinc/83/40/40/1362834040.db2.gz YCQAUEFFVYWJLW-JIARVOFWSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001097176949 1362874854 /nfs/dbraw/zinc/87/48/54/1362874854.db2.gz CPOZOEFGYBDFFJ-AKHDSKFASA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097220366 1362890469 /nfs/dbraw/zinc/89/04/69/1362890469.db2.gz PWUGDPVEPHCTSK-MKXGPGLRSA-N 2 0 349.563 3.407 20 0 EGADRP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C1CCCC1 ZINC001098812762 1363478159 /nfs/dbraw/zinc/47/81/59/1363478159.db2.gz DFYWZKVZXUFYGT-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875044 1363501337 /nfs/dbraw/zinc/50/13/37/1363501337.db2.gz LYKVJZZOMXRLCB-ZVDOUQERSA-N 2 0 347.547 3.186 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976243 1363551899 /nfs/dbraw/zinc/55/18/99/1363551899.db2.gz RMEIEXDBWUANDP-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115743 1363631881 /nfs/dbraw/zinc/63/18/81/1363631881.db2.gz IZQKSFWPOYCHAT-RBUKOAKNSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241326 1363709997 /nfs/dbraw/zinc/70/99/97/1363709997.db2.gz YQZAQLOVGDCQEU-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099275931 1363727231 /nfs/dbraw/zinc/72/72/31/1363727231.db2.gz LPULHNCXMHBUBA-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C/C=C\Cl ZINC001099310670 1363743649 /nfs/dbraw/zinc/74/36/49/1363743649.db2.gz SGLGLPBZFWWWEF-MRDWYFFCSA-N 2 0 343.943 3.078 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354207 1363768631 /nfs/dbraw/zinc/76/86/31/1363768631.db2.gz OFHPTCZPEVDQKT-GIFJBRJJSA-N 2 0 337.552 3.290 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099355354 1363769185 /nfs/dbraw/zinc/76/91/85/1363769185.db2.gz ZPAJABGWBCWSNW-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1)C1CC1 ZINC001100408108 1364104614 /nfs/dbraw/zinc/10/46/14/1364104614.db2.gz VKLDOPLFKCHRRO-LYBXBRPPSA-N 2 0 349.563 3.172 20 0 EGADRP CCc1c[nH]c2ncnc(N3CCC(C[NH+]4CCCCC4)CC3)c12 ZINC001185252980 1387660097 /nfs/dbraw/zinc/66/00/97/1387660097.db2.gz KBNMKKXPPSOTTC-UHFFFAOYSA-N 2 0 327.476 3.223 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100507038 1364139773 /nfs/dbraw/zinc/13/97/73/1364139773.db2.gz SGDDJNFRQYASIL-UHFFFAOYSA-N 2 0 328.460 3.013 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100507011 1364140024 /nfs/dbraw/zinc/14/00/24/1364140024.db2.gz RDCMKILGIVSCEK-HJOIGYKYSA-N 2 0 342.487 3.115 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001100669059 1364211302 /nfs/dbraw/zinc/21/13/02/1364211302.db2.gz MOCBZEMAQFREMI-DAWZGUTISA-N 2 0 339.568 3.418 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001100758754 1364248877 /nfs/dbraw/zinc/24/88/77/1364248877.db2.gz MZGDBVDETHUUCS-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2ccccc2C)C1 ZINC001100898636 1364320638 /nfs/dbraw/zinc/32/06/38/1364320638.db2.gz SFBVDKHCDVRXMO-LMDPOFIKSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100901702 1364322590 /nfs/dbraw/zinc/32/25/90/1364322590.db2.gz JTONPNHTGJNEQJ-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100997144 1364362842 /nfs/dbraw/zinc/36/28/42/1364362842.db2.gz UBEPKGLLASRPSJ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001101037563 1364384282 /nfs/dbraw/zinc/38/42/82/1364384282.db2.gz RUEYJMQWDUVIHQ-SOAGJPPSSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101267839 1364492032 /nfs/dbraw/zinc/49/20/32/1364492032.db2.gz UVXJMLJIDUZFFF-DYXWJJEUSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101381360 1364538270 /nfs/dbraw/zinc/53/82/70/1364538270.db2.gz NMQQNNTWTGJETB-DYXWJJEUSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474426 1364575832 /nfs/dbraw/zinc/57/58/32/1364575832.db2.gz YNQAWXQFLRRRCX-CTNGQTDRSA-N 2 0 349.563 3.223 20 0 EGADRP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101522055 1364597043 /nfs/dbraw/zinc/59/70/43/1364597043.db2.gz LCLWOCKHPGDRKO-GHOSXJJBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101548740 1364612416 /nfs/dbraw/zinc/61/24/16/1364612416.db2.gz GZBYZJPGCJTXKH-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001101553559 1364615605 /nfs/dbraw/zinc/61/56/05/1364615605.db2.gz BNZZWUPUIRTNFT-UHFFFAOYSA-N 2 0 342.487 3.211 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C(C)(C)C[NH2+]CC=C(C)C)CC1 ZINC001101588288 1364638545 /nfs/dbraw/zinc/63/85/45/1364638545.db2.gz DZRZPQQJFLRQIB-UHFFFAOYSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001101596285 1364646680 /nfs/dbraw/zinc/64/66/80/1364646680.db2.gz QZOHCTVMOKHGEH-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101976292 1364796403 /nfs/dbraw/zinc/79/64/03/1364796403.db2.gz VOUUZTOAFSXZHE-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102151899 1364893813 /nfs/dbraw/zinc/89/38/13/1364893813.db2.gz NNCHWNNSYZBIGD-SJLPKXTDSA-N 2 0 342.487 3.068 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)c1 ZINC001102320934 1364999813 /nfs/dbraw/zinc/99/98/13/1364999813.db2.gz ZXBACEQEJGHTMW-GUDVDZBRSA-N 2 0 345.531 3.000 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185444827 1387718208 /nfs/dbraw/zinc/71/82/08/1387718208.db2.gz CASOTQDNIIPYBZ-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001102472070 1365074044 /nfs/dbraw/zinc/07/40/44/1365074044.db2.gz GKWXHJVHPNTFBR-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001102523840 1365097739 /nfs/dbraw/zinc/09/77/39/1365097739.db2.gz MYNKAULABZFSEH-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583027 1365124071 /nfs/dbraw/zinc/12/40/71/1365124071.db2.gz LMHAHDWDDOWPKX-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583028 1365124490 /nfs/dbraw/zinc/12/44/90/1365124490.db2.gz LMHAHDWDDOWPKX-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085253 1365372643 /nfs/dbraw/zinc/37/26/43/1365372643.db2.gz NSVQVSTYWSURRG-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192202 1365428330 /nfs/dbraw/zinc/42/83/30/1365428330.db2.gz GAHIKFALZLKSNO-JFIYKMOQSA-N 2 0 342.487 3.068 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001185550592 1387745892 /nfs/dbraw/zinc/74/58/92/1387745892.db2.gz VKHYXDOKJDHWLN-RBUKOAKNSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185547499 1387744970 /nfs/dbraw/zinc/74/49/70/1387744970.db2.gz HZQRMIXYWUWEKI-VANUVFSVSA-N 2 0 337.552 3.149 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001185610327 1387760650 /nfs/dbraw/zinc/76/06/50/1387760650.db2.gz UKOOROGVEBECLO-WOJBJXKFSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)[NH+](CC)CC ZINC001185610395 1387760727 /nfs/dbraw/zinc/76/07/27/1387760727.db2.gz WJQJJGPIJIHPEN-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103757046 1365767130 /nfs/dbraw/zinc/76/71/30/1365767130.db2.gz KEHRSJYRYYRJNN-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104185498 1365941346 /nfs/dbraw/zinc/94/13/46/1365941346.db2.gz GEZJRKTVSWRXCS-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104322327 1365980066 /nfs/dbraw/zinc/98/00/66/1365980066.db2.gz BGHVCRUYTAPTGU-POMXJBLMSA-N 2 0 337.552 3.003 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001324817438 1387782672 /nfs/dbraw/zinc/78/26/72/1387782672.db2.gz IJWZQPFAQLDMBB-UZLBHIALSA-N 2 0 349.494 3.057 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001185728215 1387785262 /nfs/dbraw/zinc/78/52/62/1387785262.db2.gz DBZYVEJVQGQBLK-OALUTQOASA-N 2 0 337.552 3.127 20 0 EGADRP CCC(CC)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001324835519 1387786556 /nfs/dbraw/zinc/78/65/56/1387786556.db2.gz YLQSSWJHVYBOQA-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104683508 1366130646 /nfs/dbraw/zinc/13/06/46/1366130646.db2.gz LJYSXCHLYQXRKX-QZTJIDSGSA-N 2 0 339.568 3.085 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001104874064 1366206334 /nfs/dbraw/zinc/20/63/34/1366206334.db2.gz MZYGOOJCGBAMSP-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104909081 1366219509 /nfs/dbraw/zinc/21/95/09/1366219509.db2.gz WOCWKOGFXJJQCC-AHSYYPKJSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105066672 1366303819 /nfs/dbraw/zinc/30/38/19/1366303819.db2.gz BBIXPVAJTZHVRU-IPMKNSEASA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518515 1366505991 /nfs/dbraw/zinc/50/59/91/1366505991.db2.gz ZZTPOOCQUHXGQO-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCC1 ZINC001105541564 1366520058 /nfs/dbraw/zinc/52/00/58/1366520058.db2.gz DOSQCVRBYATINO-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001105544338 1366521702 /nfs/dbraw/zinc/52/17/02/1366521702.db2.gz HTLZOJTXCNWHFQ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CC)CCC2)C1 ZINC001105556951 1366529805 /nfs/dbraw/zinc/52/98/05/1366529805.db2.gz TUTHJWDSHNLIGD-RBUKOAKNSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)[NH+](CC)CC)CCC1 ZINC001105561872 1366531662 /nfs/dbraw/zinc/53/16/62/1366531662.db2.gz TZLNXZQOPDHRSW-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105572127 1366538772 /nfs/dbraw/zinc/53/87/72/1366538772.db2.gz IYYGTMFIDXVHMY-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106120464 1366612606 /nfs/dbraw/zinc/61/26/06/1366612606.db2.gz VZNWHEJRMZSFDQ-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249289 1366633808 /nfs/dbraw/zinc/63/38/08/1366633808.db2.gz FVNWESOMOQZSNV-VJQBDMSCSA-N 2 0 349.563 3.290 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729103 1366782550 /nfs/dbraw/zinc/78/25/50/1366782550.db2.gz IDRGEYZUYFRRMP-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC)[C@H](C)C1 ZINC001106775560 1366794606 /nfs/dbraw/zinc/79/46/06/1366794606.db2.gz PCUYGEJRZPTUPZ-GUDVDZBRSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC001106905632 1366829077 /nfs/dbraw/zinc/82/90/77/1366829077.db2.gz ZQKZSGSWVAZAHE-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107035892 1366861991 /nfs/dbraw/zinc/86/19/91/1366861991.db2.gz DERZUOFGHUCWDB-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036876 1366862670 /nfs/dbraw/zinc/86/26/70/1366862670.db2.gz UMXUFDFDJILULA-QSMUSEHHSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410444 1366955603 /nfs/dbraw/zinc/95/56/03/1366955603.db2.gz CLCLDAVMVDBXGU-JKOPJJFASA-N 2 0 347.547 3.044 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CCCC2)CC3)CCC1 ZINC001107436804 1366962724 /nfs/dbraw/zinc/96/27/24/1366962724.db2.gz QXOIKYPHJDGWJZ-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)(C)C1)CC2)[NH+](C)C ZINC001107450805 1366968439 /nfs/dbraw/zinc/96/84/39/1366968439.db2.gz NQBSMAFXAMEZAM-DBXWQHBBSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524002 1367017776 /nfs/dbraw/zinc/01/77/76/1367017776.db2.gz BPPXODJQSOXMPM-WYTZPYIFSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546775 1367037563 /nfs/dbraw/zinc/03/75/63/1367037563.db2.gz PAIAYHONYHYJLK-SFHLNBCPSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546708 1367037824 /nfs/dbraw/zinc/03/78/24/1367037824.db2.gz MKSAIYVGBXYIDZ-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001107581923 1367055947 /nfs/dbraw/zinc/05/59/47/1367055947.db2.gz QMXWECOELCNQJC-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609572 1367069988 /nfs/dbraw/zinc/06/99/88/1367069988.db2.gz XQTATYIPBDCOCN-BYZPHCBNSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419539 1367112880 /nfs/dbraw/zinc/11/28/80/1367112880.db2.gz URRVKVRZWJSQMU-RDGPPVDQSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655189 1367266375 /nfs/dbraw/zinc/26/63/75/1367266375.db2.gz KBBCCURYQJTDOF-WCIQWLHISA-N 2 0 343.515 3.201 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190652782 1367317660 /nfs/dbraw/zinc/31/76/60/1367317660.db2.gz AOHVZOOXDALACE-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656937 1367320347 /nfs/dbraw/zinc/32/03/47/1367320347.db2.gz YDCILWQWCGIPJT-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796816 1367327332 /nfs/dbraw/zinc/32/73/32/1367327332.db2.gz GOKZPCBWIXIVLW-YXYQLMTNSA-N 2 0 347.547 3.329 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796814 1367328051 /nfs/dbraw/zinc/32/80/51/1367328051.db2.gz GOKZPCBWIXIVLW-RLVROHLTSA-N 2 0 347.547 3.329 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860316 1367364440 /nfs/dbraw/zinc/36/44/40/1367364440.db2.gz XMKUYCPUPIKGNW-XWSJACJDSA-N 2 0 337.552 3.265 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001109865830 1367370451 /nfs/dbraw/zinc/37/04/51/1367370451.db2.gz ZTBFTYQPOPIREB-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918539 1367403592 /nfs/dbraw/zinc/40/35/92/1367403592.db2.gz NIAQRZIADKZHHS-QYZOEREBSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928119 1367408850 /nfs/dbraw/zinc/40/88/50/1367408850.db2.gz IAPHLWGRDPWJLH-FYQPLNBISA-N 2 0 343.515 3.201 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544075 1367525098 /nfs/dbraw/zinc/52/50/98/1367525098.db2.gz YBPUIUHXLFUQGE-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001110149461 1367526451 /nfs/dbraw/zinc/52/64/51/1367526451.db2.gz JJABICUJPBHMAT-AABGKKOBSA-N 2 0 347.547 3.164 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001110158011 1367530676 /nfs/dbraw/zinc/53/06/76/1367530676.db2.gz DRUUIJZZQREUQS-YDZRNGNQSA-N 2 0 335.536 3.163 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001110158696 1367530708 /nfs/dbraw/zinc/53/07/08/1367530708.db2.gz UKQVQUPLQXIACA-ILENRSAMSA-N 2 0 347.547 3.329 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704885 1367544711 /nfs/dbraw/zinc/54/47/11/1367544711.db2.gz UCUAWZIVLDWILO-INVOHUSESA-N 2 0 347.547 3.186 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704883 1367544816 /nfs/dbraw/zinc/54/48/16/1367544816.db2.gz UCUAWZIVLDWILO-BRXVOJRQSA-N 2 0 347.547 3.186 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738763 1367567734 /nfs/dbraw/zinc/56/77/34/1367567734.db2.gz HGVXBBAAJMCCEC-OISZBXDOSA-N 2 0 347.547 3.186 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765031 1367581499 /nfs/dbraw/zinc/58/14/99/1367581499.db2.gz HOSLNCPVGJSCLZ-FHWLQOOXSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108772625 1367588276 /nfs/dbraw/zinc/58/82/76/1367588276.db2.gz XQDQEBZURKVROP-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108785943 1367595743 /nfs/dbraw/zinc/59/57/43/1367595743.db2.gz QTWLLFZJZVXZPJ-ZCNNSNEGSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828705 1367624114 /nfs/dbraw/zinc/62/41/14/1367624114.db2.gz YOPRIZHEDLSDHD-KXTSPJLFSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834381 1367627195 /nfs/dbraw/zinc/62/71/95/1367627195.db2.gz MCZPBUUKQPUHOD-UFYCRDLUSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001192171847 1367707106 /nfs/dbraw/zinc/70/71/06/1367707106.db2.gz WZJNPLXLRCFXPE-YLJYHZDGSA-N 2 0 345.531 3.355 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001192317443 1367748389 /nfs/dbraw/zinc/74/83/89/1367748389.db2.gz TTWGYRGQMHWKHD-WOJBJXKFSA-N 2 0 345.531 3.148 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398334 1367773900 /nfs/dbraw/zinc/77/39/00/1367773900.db2.gz ORDDEOORXRYXPI-BBVFFXRHSA-N 2 0 337.552 3.243 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917709 1367903641 /nfs/dbraw/zinc/90/36/41/1367903641.db2.gz RCRKTOIDBKHPEN-OALUTQOASA-N 2 0 339.568 3.322 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917439 1367904216 /nfs/dbraw/zinc/90/42/16/1367904216.db2.gz OMCKESZEWOYRRN-OALUTQOASA-N 2 0 339.568 3.466 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1)C1CCC1 ZINC001110673524 1367913430 /nfs/dbraw/zinc/91/34/30/1367913430.db2.gz FBYGUMBFYCHAOA-AQNXPRMDSA-N 2 0 345.531 3.083 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1)C1CCCCC1 ZINC001110857437 1368036966 /nfs/dbraw/zinc/03/69/66/1368036966.db2.gz AOAOMDSAAPACJM-AQNXPRMDSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561491 1368062698 /nfs/dbraw/zinc/06/26/98/1368062698.db2.gz ZODXHFHCYHIHSL-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001193600937 1368071395 /nfs/dbraw/zinc/07/13/95/1368071395.db2.gz OXTLEZNJFAVGFF-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098644 1368158449 /nfs/dbraw/zinc/15/84/49/1368158449.db2.gz JDLFKNLBJRRMIZ-MVUOPPMJSA-N 2 0 347.547 3.327 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)C(C)C ZINC001111163993 1368173693 /nfs/dbraw/zinc/17/36/93/1368173693.db2.gz CYGJLNSFPSWVCM-YSTOQKLRSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273991 1368221438 /nfs/dbraw/zinc/22/14/38/1368221438.db2.gz CQGFNLAMDYKFGE-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429106 1368259514 /nfs/dbraw/zinc/25/95/14/1368259514.db2.gz FJAPDSCYFHHQLB-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001111307665 1368263137 /nfs/dbraw/zinc/26/31/37/1368263137.db2.gz PZAUJEJPWYXSAX-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCCC2)C3)C1 ZINC001111416321 1368303648 /nfs/dbraw/zinc/30/36/48/1368303648.db2.gz MGTFCRVPCNIBDZ-WKXIVMOISA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494356 1368320691 /nfs/dbraw/zinc/32/06/91/1368320691.db2.gz LKIGTPKFSBYSMR-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001195111448 1368379500 /nfs/dbraw/zinc/37/95/00/1368379500.db2.gz CNXJOMGADZCKNN-ZCNNSNEGSA-N 2 0 329.532 3.171 20 0 EGADRP C[N@H+](CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CC1)C2)C1CCCCC1 ZINC001111816959 1368479626 /nfs/dbraw/zinc/47/96/26/1368479626.db2.gz GODDXGHGXKTGQN-RXVVDRJESA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986859 1368591995 /nfs/dbraw/zinc/59/19/95/1368591995.db2.gz CXTZPRGCAZIPNF-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004459 1368608330 /nfs/dbraw/zinc/60/83/30/1368608330.db2.gz CYUWZLGGGHPOKP-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](CCCC2CCC2)CC1)[NH+](CC)CC ZINC001197142243 1368753848 /nfs/dbraw/zinc/75/38/48/1368753848.db2.gz VRXPRGHVAWGTIE-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197330660 1368789163 /nfs/dbraw/zinc/78/91/63/1368789163.db2.gz DVYRJUQXFMNIDY-IBGZPJMESA-N 2 0 337.552 3.364 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197404316 1368807873 /nfs/dbraw/zinc/80/78/73/1368807873.db2.gz XQMVNSGDDHRIOF-RBUKOAKNSA-N 2 0 335.536 3.118 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001112399185 1368824147 /nfs/dbraw/zinc/82/41/47/1368824147.db2.gz GMZFYBBDISCTFS-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001197691365 1368873167 /nfs/dbraw/zinc/87/31/67/1368873167.db2.gz HBDAZUJIFXDVKW-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001197922408 1368924632 /nfs/dbraw/zinc/92/46/32/1368924632.db2.gz RONVCKHCZQZCTF-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198259881 1368991237 /nfs/dbraw/zinc/99/12/37/1368991237.db2.gz SMXGRKVTYGEODR-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112855342 1369049416 /nfs/dbraw/zinc/04/94/16/1369049416.db2.gz SBFQPHPMJSZTEA-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC001200232105 1369331900 /nfs/dbraw/zinc/33/19/00/1369331900.db2.gz GNGMNHGGTPOIRW-UHFFFAOYSA-N 2 0 332.879 3.347 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc4ccccc4s3)C2)CC1 ZINC001200346675 1369352285 /nfs/dbraw/zinc/35/22/85/1369352285.db2.gz QPZLPWOCVHYBNA-INIZCTEOSA-N 2 0 329.513 3.159 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001200813755 1369432892 /nfs/dbraw/zinc/43/28/92/1369432892.db2.gz XUBWLTYKFGYEPB-SJORKVTESA-N 2 0 328.460 3.048 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201043409 1369470741 /nfs/dbraw/zinc/47/07/41/1369470741.db2.gz CXFSWBMPFXWHIP-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053431 1369472872 /nfs/dbraw/zinc/47/28/72/1369472872.db2.gz OYJURCVIXMYXLH-HZQHCPKGSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113519885 1369474734 /nfs/dbraw/zinc/47/47/34/1369474734.db2.gz BVTLZVSFQVRKHT-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)n1ccnc1 ZINC001201182587 1369491731 /nfs/dbraw/zinc/49/17/31/1369491731.db2.gz JELLMNIOKQTJFF-IBGZPJMESA-N 2 0 346.519 3.241 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001113571289 1369496614 /nfs/dbraw/zinc/49/66/14/1369496614.db2.gz GFFQSVILLFXHAV-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001201486734 1369555379 /nfs/dbraw/zinc/55/53/79/1369555379.db2.gz MDJZVIBPNCMPMB-YRPNKDGESA-N 2 0 345.535 3.055 20 0 EGADRP CC1(C)CCC(C[NH+]2CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001113676345 1369560936 /nfs/dbraw/zinc/56/09/36/1369560936.db2.gz ORKMVTFRUAEZOF-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793990 1369625104 /nfs/dbraw/zinc/62/51/04/1369625104.db2.gz PWHKZBAVNHPUOB-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1 ZINC001201953676 1369652456 /nfs/dbraw/zinc/65/24/56/1369652456.db2.gz WECCPDREOOXENU-UHFFFAOYSA-N 2 0 334.508 3.204 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001202197553 1369713083 /nfs/dbraw/zinc/71/30/83/1369713083.db2.gz SFGUXHJWVVCEOU-SREVYHEPSA-N 2 0 347.503 3.282 20 0 EGADRP C[NH+](C)CCCn1cc(Nc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC001186997477 1388037861 /nfs/dbraw/zinc/03/78/61/1388037861.db2.gz SPHRSOVKRBJYDX-UHFFFAOYSA-N 2 0 327.476 3.174 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202862989 1369910569 /nfs/dbraw/zinc/91/05/69/1369910569.db2.gz HYBJTKIXJWURTF-UVEXCMSLSA-N 2 0 347.547 3.330 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC001203010853 1369953587 /nfs/dbraw/zinc/95/35/87/1369953587.db2.gz XPMGMJRYWVIVGX-GOSISDBHSA-N 2 0 345.531 3.287 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027123 1369959309 /nfs/dbraw/zinc/95/93/09/1369959309.db2.gz CPNBPXOQMJAFBY-DLBZAZTESA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]([NH2+]CC3CCCCC3)C23CCC3)CCC1 ZINC001203029691 1369960486 /nfs/dbraw/zinc/96/04/86/1369960486.db2.gz UVWMWIXOELUZNS-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203044704 1369965202 /nfs/dbraw/zinc/96/52/02/1369965202.db2.gz PBLUWDIJJPYNPT-ROUUACIJSA-N 2 0 335.536 3.068 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001114502364 1369977257 /nfs/dbraw/zinc/97/72/57/1369977257.db2.gz SRWOULZVEQMWSE-LAXBAZCNSA-N 2 0 347.547 3.042 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203201783 1370023120 /nfs/dbraw/zinc/02/31/20/1370023120.db2.gz JRGQPSBPNXKAGU-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203252007 1370041928 /nfs/dbraw/zinc/04/19/28/1370041928.db2.gz YYKREWYCJBMMSZ-IRXDYDNUSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259843 1370047323 /nfs/dbraw/zinc/04/73/23/1370047323.db2.gz YNLSHRIJYNRAJG-IRXDYDNUSA-N 2 0 335.536 3.068 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001203288820 1370063502 /nfs/dbraw/zinc/06/35/02/1370063502.db2.gz XOSZGCBRGMYRGB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312980 1370078219 /nfs/dbraw/zinc/07/82/19/1370078219.db2.gz MBSZTALMZRYQKJ-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203317172 1370079777 /nfs/dbraw/zinc/07/97/77/1370079777.db2.gz MMEGATONKMDYGY-DFOOCIKTSA-N 2 0 347.547 3.092 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203324358 1370082892 /nfs/dbraw/zinc/08/28/92/1370082892.db2.gz HGPAUOOGGFKGKV-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001203330693 1370084638 /nfs/dbraw/zinc/08/46/38/1370084638.db2.gz PNYJISCRINSSDT-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001203442210 1370127999 /nfs/dbraw/zinc/12/79/99/1370127999.db2.gz GRLKHZDNJCTNOE-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]([NH2+]CCC(C)(C)C)C23CCC3)CC1 ZINC001203462205 1370135059 /nfs/dbraw/zinc/13/50/59/1370135059.db2.gz LWNBFSGAWDTECX-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203523248 1370154585 /nfs/dbraw/zinc/15/45/85/1370154585.db2.gz POUCMGMPMINGGB-OALUTQOASA-N 2 0 347.547 3.236 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540210 1370161533 /nfs/dbraw/zinc/16/15/33/1370161533.db2.gz UIVKDRGMWBHHTE-HKVCONOFSA-N 2 0 347.547 3.092 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203629903 1370192903 /nfs/dbraw/zinc/19/29/03/1370192903.db2.gz DFXRPDOKDATRPY-MGBKSAOESA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203629937 1370192930 /nfs/dbraw/zinc/19/29/30/1370192930.db2.gz DVXBYMNWVIGYJG-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632516 1370194459 /nfs/dbraw/zinc/19/44/59/1370194459.db2.gz UBRDBDKUDAAVAE-PJHKVULZSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203650498 1370201657 /nfs/dbraw/zinc/20/16/57/1370201657.db2.gz HYYDLZDJZMBBNN-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1C)C2 ZINC001203747459 1370247020 /nfs/dbraw/zinc/24/70/20/1370247020.db2.gz GKIPNFJSSPGZJW-VXKWHMMOSA-N 2 0 342.527 3.484 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203769879 1370257364 /nfs/dbraw/zinc/25/73/64/1370257364.db2.gz CABWMCMQKYEYKZ-DUFJLWIISA-N 2 0 347.547 3.236 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203770167 1370258371 /nfs/dbraw/zinc/25/83/71/1370258371.db2.gz DUSLJYIGUZIHJE-MOPGFXCFSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203794252 1370268172 /nfs/dbraw/zinc/26/81/72/1370268172.db2.gz WFWNCDGKGWBLDM-SJORKVTESA-N 2 0 337.552 3.170 20 0 EGADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203928104 1370318050 /nfs/dbraw/zinc/31/80/50/1370318050.db2.gz XDCRVSBZRGXQNT-HXUWFJFHSA-N 2 0 329.488 3.485 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001203932272 1370319616 /nfs/dbraw/zinc/31/96/16/1370319616.db2.gz BBKUHDZEIJSBJN-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP Fc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1F ZINC001204224402 1370413783 /nfs/dbraw/zinc/41/37/83/1370413783.db2.gz WZODTFGFZKSZIP-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP CC[NH+](CC)C1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204268294 1370427047 /nfs/dbraw/zinc/42/70/47/1370427047.db2.gz HMDQRZGCWVOWQN-UHFFFAOYSA-N 2 0 347.547 3.323 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115535348 1370532285 /nfs/dbraw/zinc/53/22/85/1370532285.db2.gz SJFQLJQDODCXDL-DLBZAZTESA-N 2 0 341.515 3.016 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537136 1370534181 /nfs/dbraw/zinc/53/41/81/1370534181.db2.gz XWMPEQSNQGMHCD-RTBURBONSA-N 2 0 347.547 3.236 20 0 EGADRP Brc1cccc(-c2ccc(CN3CCC[NH2+]CC3)cc2)n1 ZINC001204667589 1370540910 /nfs/dbraw/zinc/54/09/10/1370540910.db2.gz NGNUIKOLYDVICU-UHFFFAOYSA-N 2 0 346.272 3.306 20 0 EGADRP Brc1sccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742363 1370562160 /nfs/dbraw/zinc/56/21/60/1370562160.db2.gz LZDQXEOMIGICCZ-UHFFFAOYSA-N 2 0 329.307 3.476 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]Cc3ccsc3)CCCCC2)CCC1 ZINC001115571772 1370573819 /nfs/dbraw/zinc/57/38/19/1370573819.db2.gz NUUDFKBYUCAPHZ-UHFFFAOYSA-N 2 0 349.544 3.141 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]Cc3ccccc3)CCCCC2)CCC1 ZINC001115571831 1370574447 /nfs/dbraw/zinc/57/44/47/1370574447.db2.gz QQQKWIDEWBWDOZ-UHFFFAOYSA-N 2 0 343.515 3.080 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115572002 1370574607 /nfs/dbraw/zinc/57/46/07/1370574607.db2.gz XXKVULJAXKUFIQ-AATRIKPKSA-N 2 0 335.536 3.236 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115573200 1370575929 /nfs/dbraw/zinc/57/59/29/1370575929.db2.gz MOEHROVPVQAMDW-UHFFFAOYSA-N 2 0 337.552 3.460 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573730 1370576256 /nfs/dbraw/zinc/57/62/56/1370576256.db2.gz VIYXOOCUGHVAEH-RURPWVQCSA-N 2 0 349.563 3.482 20 0 EGADRP CN(Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204869792 1370593772 /nfs/dbraw/zinc/59/37/72/1370593772.db2.gz JLCMNLNDBFVNAR-JOCHJYFZSA-N 2 0 335.495 3.039 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598556 1370598702 /nfs/dbraw/zinc/59/87/02/1370598702.db2.gz SJWVAYZJLQWJFO-WRFKIARRSA-N 2 0 335.536 3.236 20 0 EGADRP O=C(NCC1([NH2+]CC2CCCC2)CCCCC1)C12CCC[NH+]1CCC2 ZINC001115614622 1370612814 /nfs/dbraw/zinc/61/28/14/1370612814.db2.gz MCHVTWZAIYUADR-UHFFFAOYSA-N 2 0 347.547 3.214 20 0 EGADRP Clc1cc(Cl)cc(C2=CC[N@H+](CC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC001205000499 1370625042 /nfs/dbraw/zinc/62/50/42/1370625042.db2.gz GFKUBZUCQDDTGX-QGZVFWFLSA-N 2 0 341.282 3.461 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2([NH2+]CC3CC3)CCCCC2)CCCC1 ZINC001115650195 1370638029 /nfs/dbraw/zinc/63/80/29/1370638029.db2.gz PPEGVOZSRZXGOY-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP Cc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1C ZINC001205074537 1370643044 /nfs/dbraw/zinc/64/30/44/1370643044.db2.gz JDWYGDRIZFSWOL-UHFFFAOYSA-N 2 0 338.499 3.154 20 0 EGADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3ncc(Br)cc3c2)CC1 ZINC001205124362 1370657601 /nfs/dbraw/zinc/65/76/01/1370657601.db2.gz OZQJLRHJXQFGTM-HNNXBMFYSA-N 2 0 334.261 3.311 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(OCc2ccccc2)c1 ZINC001205140209 1370661191 /nfs/dbraw/zinc/66/11/91/1370661191.db2.gz DFYSJJSPBLEUCP-QFBILLFUSA-N 2 0 340.467 3.301 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205219469 1370685449 /nfs/dbraw/zinc/68/54/49/1370685449.db2.gz DPNHEVINBKMRMI-AWEZNQCLSA-N 2 0 336.785 3.035 20 0 EGADRP CCc1ccccc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115707868 1370686815 /nfs/dbraw/zinc/68/68/15/1370686815.db2.gz ADFUVGPEOLVKMR-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242965 1370692943 /nfs/dbraw/zinc/69/29/43/1370692943.db2.gz XIXIIFSIIMHUBC-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1Oc1ccccc1 ZINC001205249005 1370695510 /nfs/dbraw/zinc/69/55/10/1370695510.db2.gz VGGXWUSDIBZTBO-OAQYLSRUSA-N 2 0 340.467 3.463 20 0 EGADRP c1cc2c(cccc2C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)[nH]1 ZINC001205255364 1370697299 /nfs/dbraw/zinc/69/72/99/1370697299.db2.gz DOVSPSUEZTVXDS-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1)[NH+](CC)CC ZINC001115726796 1370707725 /nfs/dbraw/zinc/70/77/25/1370707725.db2.gz SIXCAEOGXOEBKW-GOSISDBHSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115729672 1370711508 /nfs/dbraw/zinc/71/15/08/1370711508.db2.gz OWBVAGXXLBGZFP-QGZVFWFLSA-N 2 0 341.515 3.019 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115730947 1370713906 /nfs/dbraw/zinc/71/39/06/1370713906.db2.gz VNLNZTZKLAIMSX-MJGOQNOKSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205306341 1370715482 /nfs/dbraw/zinc/71/54/82/1370715482.db2.gz VOORKRCBQGLNLM-AAEUAGOBSA-N 2 0 334.357 3.340 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768907 1370753126 /nfs/dbraw/zinc/75/31/26/1370753126.db2.gz MMWDXPUKKKWASC-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001115769145 1370753607 /nfs/dbraw/zinc/75/36/07/1370753607.db2.gz XRWKTIUSJIVIJW-RTBURBONSA-N 2 0 347.547 3.212 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115777194 1370759902 /nfs/dbraw/zinc/75/99/02/1370759902.db2.gz HMHDEVBTZMYIKW-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]Cc2ccccc2C)CCCCC1 ZINC001115777279 1370760223 /nfs/dbraw/zinc/76/02/23/1370760223.db2.gz NXNARZSSJXTJFC-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469497 1370764734 /nfs/dbraw/zinc/76/47/34/1370764734.db2.gz IHOGLVNOZCGWPY-AATRIKPKSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115786997 1370769846 /nfs/dbraw/zinc/76/98/46/1370769846.db2.gz CMZIVXLWESCADN-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490448 1370771085 /nfs/dbraw/zinc/77/10/85/1370771085.db2.gz HEIPPKZQSKJTCZ-SGQUHAKNSA-N 2 0 337.552 3.147 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205518943 1370778469 /nfs/dbraw/zinc/77/84/69/1370778469.db2.gz PUPDKMHODLNLJL-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001187323101 1388093492 /nfs/dbraw/zinc/09/34/92/1388093492.db2.gz YKEMRHGBDRVZDF-FXAWDEMLSA-N 2 0 345.531 3.403 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001115801852 1370784726 /nfs/dbraw/zinc/78/47/26/1370784726.db2.gz AMDAIVZGMIKUQO-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccccc2C)CC1 ZINC001205548425 1370787525 /nfs/dbraw/zinc/78/75/25/1370787525.db2.gz ABBANTANIOPMFQ-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001205548520 1370787900 /nfs/dbraw/zinc/78/79/00/1370787900.db2.gz DMYBFWKKLYZBKR-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115806441 1370790083 /nfs/dbraw/zinc/79/00/83/1370790083.db2.gz WWRUIMFIIGOPGY-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205558283 1370791226 /nfs/dbraw/zinc/79/12/26/1370791226.db2.gz DGUNNJDYEFKFHO-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590423 1370803016 /nfs/dbraw/zinc/80/30/16/1370803016.db2.gz FTOHTYFGVJQTRO-HNNXBMFYSA-N 2 0 342.487 3.131 20 0 EGADRP C[NH+](C)CCc1c[nH]c2ccc(-c3ccc(N4CC[NH2+]CC4)cc3)cc12 ZINC001205599688 1370805751 /nfs/dbraw/zinc/80/57/51/1370805751.db2.gz DDIKXDNMKYSVBY-UHFFFAOYSA-N 2 0 348.494 3.349 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603014 1370807521 /nfs/dbraw/zinc/80/75/21/1370807521.db2.gz MRQQLCCHWJWPBZ-CHWSQXEVSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(F)cc2Br)CC[C@@H]1C[NH3+] ZINC001205618295 1370812326 /nfs/dbraw/zinc/81/23/26/1370812326.db2.gz UGSPGSUHQUNPCW-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1OCC1CC1 ZINC001205626946 1370816725 /nfs/dbraw/zinc/81/67/25/1370816725.db2.gz KVQYTPRMCUXZKZ-MAUKXSAKSA-N 2 0 332.488 3.291 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC001205652210 1370828905 /nfs/dbraw/zinc/82/89/05/1370828905.db2.gz OMVQLXGSARIXOU-FXAWDEMLSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cccnc2OCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205654458 1370830068 /nfs/dbraw/zinc/83/00/68/1370830068.db2.gz WXKFSVBDIXUZSK-IEBWSBKVSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC[C@H]1C[NH3+] ZINC001205653724 1370830376 /nfs/dbraw/zinc/83/03/76/1370830376.db2.gz UUALZABEMNQWFN-HIFRSBDPSA-N 2 0 331.485 3.323 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001205681441 1370841751 /nfs/dbraw/zinc/84/17/51/1370841751.db2.gz JHKDTFTXLONMSL-GOSISDBHSA-N 2 0 334.847 3.276 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccc(F)cc1 ZINC001116289279 1370879719 /nfs/dbraw/zinc/87/97/19/1370879719.db2.gz PDXZGJZSGPTRDK-QGZVFWFLSA-N 2 0 341.474 3.424 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccsc1 ZINC001116294916 1370880434 /nfs/dbraw/zinc/88/04/34/1370880434.db2.gz XHSWNLNQXMZXLY-INIZCTEOSA-N 2 0 329.513 3.346 20 0 EGADRP c1cc2c(cc1C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)CCCC2 ZINC001205832632 1370886780 /nfs/dbraw/zinc/88/67/80/1370886780.db2.gz SMGPROOQVMCLRU-UHFFFAOYSA-N 2 0 342.527 3.500 20 0 EGADRP C[N@@H+]1CCCC[C@H]1c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)nc1 ZINC001205900055 1370904061 /nfs/dbraw/zinc/90/40/61/1370904061.db2.gz IZPDBHJOADHLEL-NRFANRHFSA-N 2 0 336.483 3.315 20 0 EGADRP C[C@H]1C[N@H+](CCc2cccc(Br)c2)CCC[C@H]1C[NH3+] ZINC001205985363 1370929817 /nfs/dbraw/zinc/92/98/17/1370929817.db2.gz XWCKFFJLYMZYRP-ZFWWWQNUSA-N 2 0 325.294 3.298 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1OC ZINC001206002807 1370934395 /nfs/dbraw/zinc/93/43/95/1370934395.db2.gz BISHFQINPULXBN-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206004688 1370935114 /nfs/dbraw/zinc/93/51/14/1370935114.db2.gz ULMKGEXPZQDMGS-STQMWFEESA-N 2 0 346.393 3.401 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1OCC1CC1 ZINC001206003555 1370935204 /nfs/dbraw/zinc/93/52/04/1370935204.db2.gz JRKIFXFNGPZFJG-MAUKXSAKSA-N 2 0 332.488 3.291 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccn2)CCC[C@@H]1C[NH3+] ZINC001206013724 1370937598 /nfs/dbraw/zinc/93/75/98/1370937598.db2.gz TZXJNMGSQMYJKL-IEBWSBKVSA-N 2 0 339.483 3.467 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC001206012617 1370938201 /nfs/dbraw/zinc/93/82/01/1370938201.db2.gz MZXHAMZOCOLECG-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccnc(Cl)c2Br)CCC[C@H]1C[NH3+] ZINC001206026848 1370942335 /nfs/dbraw/zinc/94/23/35/1370942335.db2.gz UJASRDSXGXPOCU-QWRGUYRKSA-N 2 0 346.700 3.304 20 0 EGADRP CN(CCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)c1ccccc1 ZINC001326041245 1388104522 /nfs/dbraw/zinc/10/45/22/1388104522.db2.gz QGBNMDXUAOHCID-SFHVURJKSA-N 2 0 326.488 3.201 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC001116721909 1370962082 /nfs/dbraw/zinc/96/20/82/1370962082.db2.gz XMGHWEZGPXWJTF-UYAOXDASSA-N 2 0 341.503 3.039 20 0 EGADRP CN(CCC[N@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1)CC[NH+](C)C ZINC001206135227 1370968852 /nfs/dbraw/zinc/96/88/52/1370968852.db2.gz FXBISVVZKDDFBN-RTWAWAEBSA-N 2 0 331.548 3.312 20 0 EGADRP COC(=O)CCC[N@@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001206251327 1371003780 /nfs/dbraw/zinc/00/37/80/1371003780.db2.gz ODFIMOHEQWXJEQ-UHFFFAOYSA-N 2 0 344.499 3.222 20 0 EGADRP Cc1cc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)c2ccccc2[nH+]1 ZINC001206286327 1371012989 /nfs/dbraw/zinc/01/29/89/1371012989.db2.gz SGBOTIMFMIFNBE-UHFFFAOYSA-N 3 0 338.499 3.055 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001206300898 1371015145 /nfs/dbraw/zinc/01/51/45/1371015145.db2.gz GBDGNDMPYHELOM-FPLPWBNLSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)(C)C(=O)Nc1cnccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304763 1371016639 /nfs/dbraw/zinc/01/66/39/1371016639.db2.gz PLGWZSVGYFRNAI-IBGZPJMESA-N 2 0 332.492 3.017 20 0 EGADRP Cn1c2ccccc2c(Cl)c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1=O ZINC001206317243 1371019839 /nfs/dbraw/zinc/01/98/39/1371019839.db2.gz DMFRYVPINOHOIS-IBGZPJMESA-N 2 0 347.890 3.143 20 0 EGADRP Cc1nc(Br)ccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206319162 1371020068 /nfs/dbraw/zinc/02/00/68/1371020068.db2.gz YUPGBNBELGCNPV-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1CN1CCCC[C@](F)(C[NH3+])C1 ZINC001206343540 1371027797 /nfs/dbraw/zinc/02/77/97/1371027797.db2.gz GJOCQYLUIXRMLL-IBGZPJMESA-N 2 0 330.451 3.142 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481745 1371068553 /nfs/dbraw/zinc/06/85/53/1371068553.db2.gz JWUYEUZRRALJCQ-VZSQWMKGSA-N 2 0 349.563 3.435 20 0 EGADRP COc1cc(C)c(Br)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506490 1371077060 /nfs/dbraw/zinc/07/70/60/1371077060.db2.gz CSAUPXRJQDLKQV-UHFFFAOYSA-N 2 0 341.293 3.327 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(C[NH2+]CCC(C)C)CC1)C(C)C ZINC001206628937 1371113447 /nfs/dbraw/zinc/11/34/47/1371113447.db2.gz ZNYAWSLZQCAJBW-LJQANCHMSA-N 2 0 339.568 3.227 20 0 EGADRP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641562 1371116269 /nfs/dbraw/zinc/11/62/69/1371116269.db2.gz YQPMXBLGCXJAQJ-HNNXBMFYSA-N 2 0 343.471 3.214 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001206754109 1371153917 /nfs/dbraw/zinc/15/39/17/1371153917.db2.gz IQBLWYZACQLRQP-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cc(F)c(F)cc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206756100 1371154843 /nfs/dbraw/zinc/15/48/43/1371154843.db2.gz WRYFPUVTPCTQIN-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP COc1c(F)cccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755424 1371154848 /nfs/dbraw/zinc/15/48/48/1371154848.db2.gz HTJLJLRNBZBZDP-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP OCCC[N@H+](C[C@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC001118494565 1371189435 /nfs/dbraw/zinc/18/94/35/1371189435.db2.gz ILLXIBVIXMOJCC-IBGZPJMESA-N 2 0 338.495 3.460 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865629 1371195370 /nfs/dbraw/zinc/19/53/70/1371195370.db2.gz ZOUOKOJWRGYLCO-NRFANRHFSA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557057 1371198379 /nfs/dbraw/zinc/19/83/79/1371198379.db2.gz NADLVGLXHHSWJN-KRWDZBQOSA-N 2 0 345.462 3.097 20 0 EGADRP Cc1nccc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)n1 ZINC001207164121 1371316542 /nfs/dbraw/zinc/31/65/42/1371316542.db2.gz PGZQLYLPNFFSKL-IBGZPJMESA-N 2 0 340.471 3.255 20 0 EGADRP COC(C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1)OC ZINC001207250964 1371341263 /nfs/dbraw/zinc/34/12/63/1371341263.db2.gz XRDIBPHDNDUPOU-UHFFFAOYSA-N 2 0 338.517 3.045 20 0 EGADRP CC[N@H+](CCCC(=O)OC)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207287329 1371351738 /nfs/dbraw/zinc/35/17/38/1371351738.db2.gz SRRMJDRZWWCCFK-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP COC(=O)[C@H]1CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC001207292339 1371352971 /nfs/dbraw/zinc/35/29/71/1371352971.db2.gz OIPIWXIWFHXKEW-XLIONFOSSA-N 2 0 344.499 3.172 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001207399682 1371384726 /nfs/dbraw/zinc/38/47/26/1371384726.db2.gz QXCYVDYFYZZIMX-DLBZAZTESA-N 2 0 339.524 3.096 20 0 EGADRP COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207399864 1371384790 /nfs/dbraw/zinc/38/47/90/1371384790.db2.gz XOPHCWNVBQZUOP-PMACEKPBSA-N 2 0 344.499 3.140 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)CC1 ZINC001207439484 1371396290 /nfs/dbraw/zinc/39/62/90/1371396290.db2.gz FFFHWKUJBKDKTJ-UHFFFAOYSA-N 2 0 337.895 3.310 20 0 EGADRP O=C(c1cnc2ccccc2c1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207442003 1371396595 /nfs/dbraw/zinc/39/65/95/1371396595.db2.gz PQPTYTOVQZPJIT-UHFFFAOYSA-N 2 0 337.467 3.129 20 0 EGADRP C[N@H+](CC1CC[NH2+]CC1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001207438703 1371396841 /nfs/dbraw/zinc/39/68/41/1371396841.db2.gz DXQNULMXPIUSTJ-UHFFFAOYSA-N 2 0 349.522 3.392 20 0 EGADRP CC(C)Oc1ccccc1OC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207439363 1371396920 /nfs/dbraw/zinc/39/69/20/1371396920.db2.gz PMLIAPGMLXWEHD-UHFFFAOYSA-N 2 0 332.488 3.317 20 0 EGADRP C[C@H](c1ccc(F)cc1)N1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207488708 1371411803 /nfs/dbraw/zinc/41/18/03/1371411803.db2.gz PENRITSNWSMKLL-QGZVFWFLSA-N 2 0 333.495 3.236 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540909 1371430768 /nfs/dbraw/zinc/43/07/68/1371430768.db2.gz KXABMXYXPZVSEL-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC001207593595 1371446046 /nfs/dbraw/zinc/44/60/46/1371446046.db2.gz XJDVHOSKSBMALP-UHFFFAOYSA-N 2 0 337.939 3.232 20 0 EGADRP NC(=O)C1CC[NH+](C2CC[NH+](CCCC3CCCCC3)CC2)CC1 ZINC001207609179 1371451117 /nfs/dbraw/zinc/45/11/17/1371451117.db2.gz POBSKRGAWNAPKI-UHFFFAOYSA-N 2 0 335.536 3.009 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001120005336 1371451192 /nfs/dbraw/zinc/45/11/92/1371451192.db2.gz NPQHMOLDBUASKJ-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)C1 ZINC001120010097 1371453579 /nfs/dbraw/zinc/45/35/79/1371453579.db2.gz LXRNUGQGVMLHPR-QGZVFWFLSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010361 1371454222 /nfs/dbraw/zinc/45/42/22/1371454222.db2.gz OQAIWDAYSHZBHC-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@@H](C)CC)CCCCC1 ZINC001120041285 1371466445 /nfs/dbraw/zinc/46/64/45/1371466445.db2.gz MBXOSSKDVYUKQQ-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120190140 1371503131 /nfs/dbraw/zinc/50/31/31/1371503131.db2.gz SQWMISNILKABFK-CALCHBBNSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001120207988 1371505083 /nfs/dbraw/zinc/50/50/83/1371505083.db2.gz POKZTEDVRXGBCE-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207987968 1371560739 /nfs/dbraw/zinc/56/07/39/1371560739.db2.gz CJNGARULKJXYPP-FOSBAXRVSA-N 2 0 340.471 3.131 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001120401444 1371561967 /nfs/dbraw/zinc/56/19/67/1371561967.db2.gz JEGCBFGMBKIZPQ-OALUTQOASA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421658 1371568604 /nfs/dbraw/zinc/56/86/04/1371568604.db2.gz BCYMNCBBKOZILL-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014992 1371569571 /nfs/dbraw/zinc/56/95/71/1371569571.db2.gz VRBMJXRQLTWSTH-KAGICYHLSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439604 1371577530 /nfs/dbraw/zinc/57/75/30/1371577530.db2.gz HJIKTNARLJROIN-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450187 1371581819 /nfs/dbraw/zinc/58/18/19/1371581819.db2.gz SZPDPKJOLBWOOF-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073206 1371588515 /nfs/dbraw/zinc/58/85/15/1371588515.db2.gz FEOWXRTWPWVGSE-YBXURTSQSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105836 1371596449 /nfs/dbraw/zinc/59/64/49/1371596449.db2.gz CODBKHAEIOBHFQ-IYBDPMFKSA-N 2 0 339.524 3.048 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109026 1371596486 /nfs/dbraw/zinc/59/64/86/1371596486.db2.gz JUUVIIUHTCXTIG-FQEVSTJZSA-N 3 0 329.532 3.172 20 0 EGADRP CC/C=C\CCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001208134371 1371605103 /nfs/dbraw/zinc/60/51/03/1371605103.db2.gz ZQYLMMWOSMFPRD-JLZAYFGNSA-N 2 0 343.515 3.351 20 0 EGADRP COc1ccccc1O[C@H]1CC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208186635 1371625099 /nfs/dbraw/zinc/62/50/99/1371625099.db2.gz XDOVPAZNGWMFES-KRWDZBQOSA-N 2 0 332.488 3.270 20 0 EGADRP Cc1ccnc(O[C@@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)c1 ZINC001208189609 1371630026 /nfs/dbraw/zinc/63/00/26/1371630026.db2.gz VYZLCCOGVBKZNB-GOSISDBHSA-N 2 0 331.504 3.355 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310676 1388149542 /nfs/dbraw/zinc/14/95/42/1388149542.db2.gz IJKXDQXVUGJMOZ-UHFFFAOYSA-N 2 0 335.879 3.053 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001208226236 1371663630 /nfs/dbraw/zinc/66/36/30/1371663630.db2.gz NAMLUKXIAGFOMK-KRWDZBQOSA-N 2 0 344.499 3.402 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208279303 1371695252 /nfs/dbraw/zinc/69/52/52/1371695252.db2.gz MXXCGMMAZIWATB-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411478 1371758628 /nfs/dbraw/zinc/75/86/28/1371758628.db2.gz VLRJDJPXAAMCGW-PXPVJAHISA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001208454317 1371772486 /nfs/dbraw/zinc/77/24/86/1371772486.db2.gz UTYWRXWABOXLBT-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208492131 1371786765 /nfs/dbraw/zinc/78/67/65/1371786765.db2.gz FIHZEWZGBQPRAA-MBOZVWFJSA-N 2 0 345.531 3.259 20 0 EGADRP CCN(CC[N@H+](C)CC1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC001208574713 1371823237 /nfs/dbraw/zinc/82/32/37/1371823237.db2.gz JLLDROMNWQMCJY-UHFFFAOYSA-N 2 0 341.540 3.296 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575556 1371824161 /nfs/dbraw/zinc/82/41/61/1371824161.db2.gz QJHXBSMNRCEVNZ-BHIYHBOVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602345 1371835666 /nfs/dbraw/zinc/83/56/66/1371835666.db2.gz CJUWNWYEHCQHDV-YADHBBJMSA-N 3 0 341.543 3.172 20 0 EGADRP COC(=O)[C@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001208631208 1371847667 /nfs/dbraw/zinc/84/76/67/1371847667.db2.gz RAAJNQAXWPURRP-FHWLQOOXSA-N 2 0 336.520 3.306 20 0 EGADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@@H](C)CC(C)(C)C)CC[C@@H]2C1 ZINC001208658792 1371853013 /nfs/dbraw/zinc/85/30/13/1371853013.db2.gz BWEYXYUWWDIFPZ-GUDVDZBRSA-N 2 0 340.552 3.118 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001121134159 1371862903 /nfs/dbraw/zinc/86/29/03/1371862903.db2.gz VQAAARWIIAPCBK-YOVFXKFVSA-N 2 0 347.547 3.090 20 0 EGADRP COc1ccc(CC[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001208756207 1371885772 /nfs/dbraw/zinc/88/57/72/1371885772.db2.gz PFPJLZZGVLITJU-UHFFFAOYSA-N 2 0 334.504 3.299 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121232639 1371901981 /nfs/dbraw/zinc/90/19/81/1371901981.db2.gz HAMNSQCNUAHOGU-MBEFBZSESA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001121267772 1371916398 /nfs/dbraw/zinc/91/63/98/1371916398.db2.gz SFTXRFHRBJPQBE-GEUNIFFNSA-N 2 0 349.563 3.026 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121318375 1371934932 /nfs/dbraw/zinc/93/49/32/1371934932.db2.gz GOYNZYWALFECOO-UHFFFAOYSA-N 2 0 337.552 3.314 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CCC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC001208938092 1371953610 /nfs/dbraw/zinc/95/36/10/1371953610.db2.gz WUNNNDNWHHAMTN-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP CCC[NH+]1C[C@@H]2CN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942980 1371957603 /nfs/dbraw/zinc/95/76/03/1371957603.db2.gz KONPKYDKMQBROS-BHDDXSALSA-N 2 0 341.543 3.172 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001121402776 1371964225 /nfs/dbraw/zinc/96/42/25/1371964225.db2.gz SAWYVHQTEANDNI-UHFFFAOYSA-N 2 0 340.471 3.011 20 0 EGADRP F[C@H]1CN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001208965436 1371965426 /nfs/dbraw/zinc/96/54/26/1371965426.db2.gz ZSGMEZLUDKORCL-HKBOAZHASA-N 2 0 345.506 3.017 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC001209011509 1371974155 /nfs/dbraw/zinc/97/41/55/1371974155.db2.gz RGKGDUBAHGQRCI-IYARVYRRSA-N 2 0 336.520 3.164 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1CCC2(CC1)OCCO2 ZINC001209105600 1371998781 /nfs/dbraw/zinc/99/87/81/1371998781.db2.gz QYFKSYVQIQVIED-RBUKOAKNSA-N 2 0 336.520 3.259 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC(C)C)C2)C1 ZINC001209204760 1372037890 /nfs/dbraw/zinc/03/78/90/1372037890.db2.gz LISRHEZJWFQVJS-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209205055 1372038028 /nfs/dbraw/zinc/03/80/28/1372038028.db2.gz MLWMUDSLAPCGHN-NHQAVIFJSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001209278971 1372056167 /nfs/dbraw/zinc/05/61/67/1372056167.db2.gz TYOQSBKINSJJAW-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001209323254 1372068526 /nfs/dbraw/zinc/06/85/26/1372068526.db2.gz GKUOEJUXNFNJME-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]1CC(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC001209377972 1372082747 /nfs/dbraw/zinc/08/27/47/1372082747.db2.gz IQCAXCVSOXVSCG-QZTJIDSGSA-N 2 0 338.536 3.014 20 0 EGADRP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209414388 1372099462 /nfs/dbraw/zinc/09/94/62/1372099462.db2.gz LVQOJIFOTUWLTQ-ZXNZYJFHSA-N 2 0 332.532 3.103 20 0 EGADRP C[C@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209414379 1372099748 /nfs/dbraw/zinc/09/97/48/1372099748.db2.gz LVQOJIFOTUWLTQ-DVWBAYGPSA-N 2 0 332.532 3.103 20 0 EGADRP COc1ccccc1[C@@H](O)C[N@H+](CCC[NH+]1CCCCC1)C(C)C ZINC001209450015 1372109122 /nfs/dbraw/zinc/10/91/22/1372109122.db2.gz DQQVUSHCAYYZNT-IBGZPJMESA-N 2 0 334.504 3.315 20 0 EGADRP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209450410 1372109463 /nfs/dbraw/zinc/10/94/63/1372109463.db2.gz IVSZADIMKOJHQR-KRWDZBQOSA-N 2 0 339.524 3.051 20 0 EGADRP c1cc2ccc(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)cc2[nH]1 ZINC001209511853 1372125133 /nfs/dbraw/zinc/12/51/33/1372125133.db2.gz YXOJRTYLFJSDET-KDURUIRLSA-N 2 0 332.451 3.127 20 0 EGADRP CC1CC[NH+](CC(=O)NC2CC3(C2)CC([NH2+]CCC(C)(C)C)C3)CC1 ZINC001121948612 1372131271 /nfs/dbraw/zinc/13/12/71/1372131271.db2.gz ZHKLUIXAZUSJET-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1)[NH+](CC)CC ZINC001209590038 1372145469 /nfs/dbraw/zinc/14/54/69/1372145469.db2.gz RTSLRBLPUSSOMJ-OALUTQOASA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001209614725 1372151856 /nfs/dbraw/zinc/15/18/56/1372151856.db2.gz PZRKUOFNNPRKDG-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cnccn3)C[C@@H]21 ZINC001209780776 1372194925 /nfs/dbraw/zinc/19/49/25/1372194925.db2.gz DLRPNNNQXPWPQN-ZYSHUDEJSA-N 2 0 342.512 3.271 20 0 EGADRP CO[C@H](C)c1cccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001209949584 1372239740 /nfs/dbraw/zinc/23/97/40/1372239740.db2.gz JZBPIOSEGJDSRO-OAHLLOKOSA-N 2 0 326.444 3.284 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957662 1372241247 /nfs/dbraw/zinc/24/12/47/1372241247.db2.gz FUYFBQZCHKSKJQ-PORCLINASA-N 2 0 349.563 3.290 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1ccc(Nc2c[nH+]c(N)cc2C)cc1 ZINC001209968853 1372243377 /nfs/dbraw/zinc/24/33/77/1372243377.db2.gz CPOJFFGARFMYEQ-UHFFFAOYSA-N 2 0 342.443 3.214 20 0 EGADRP Cc1cc(C[NH+]2CCN(CC[NH3+])CC2)cc(C)c1-c1ccc(F)cc1 ZINC001210029897 1372258904 /nfs/dbraw/zinc/25/89/04/1372258904.db2.gz ZECIUCQSSVMTCP-UHFFFAOYSA-N 2 0 341.474 3.186 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC(C)C)C1)C(C)C ZINC001210189656 1372291164 /nfs/dbraw/zinc/29/11/64/1372291164.db2.gz LBFRTYLJSWIIGP-RTBURBONSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210221281 1372297022 /nfs/dbraw/zinc/29/70/22/1372297022.db2.gz ZAWPGWJBCSMHRA-MOPGFXCFSA-N 2 0 345.531 3.287 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210219046 1372297114 /nfs/dbraw/zinc/29/71/14/1372297114.db2.gz SEUDRRLMECDQHL-IBGZPJMESA-N 2 0 345.531 3.034 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1C ZINC001210237057 1372300811 /nfs/dbraw/zinc/30/08/11/1372300811.db2.gz XUINRRGXAYQJGW-FGTMMUONSA-N 2 0 343.531 3.073 20 0 EGADRP Fc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1C(F)(F)F ZINC001210266152 1372310177 /nfs/dbraw/zinc/31/01/77/1372310177.db2.gz GGVVBVWUYFAXKB-UHFFFAOYSA-N 2 0 340.324 3.393 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210492869 1372365995 /nfs/dbraw/zinc/36/59/95/1372365995.db2.gz FDDVFNOEYKIQGK-MOPGFXCFSA-N 2 0 345.531 3.287 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001210586729 1372384717 /nfs/dbraw/zinc/38/47/17/1372384717.db2.gz ZVXBNRNLVISGIJ-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210743614 1372417721 /nfs/dbraw/zinc/41/77/21/1372417721.db2.gz JVMSTKBZKNFFPI-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094922 1372484765 /nfs/dbraw/zinc/48/47/65/1372484765.db2.gz YZEJZJYMFXKCNQ-SBUVDCAVSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211247966 1372511475 /nfs/dbraw/zinc/51/14/75/1372511475.db2.gz CZPVLWILHXPLQD-SFFCAUCYSA-N 2 0 343.515 3.299 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(Cl)nc2Cl)CC1 ZINC001211275045 1372518419 /nfs/dbraw/zinc/51/84/19/1372518419.db2.gz WUKFHRVFWCUXLC-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211443821 1372559565 /nfs/dbraw/zinc/55/95/65/1372559565.db2.gz IOTONLBRRNXZGC-BGEOSOQGSA-N 2 0 349.563 3.435 20 0 EGADRP CCOc1c(F)cccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001212535126 1372723297 /nfs/dbraw/zinc/72/32/97/1372723297.db2.gz FFXHSOFVPQFKEE-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001326495374 1388218451 /nfs/dbraw/zinc/21/84/51/1388218451.db2.gz SSNPHCHVDUGACB-IBGZPJMESA-N 2 0 331.504 3.041 20 0 EGADRP Cc1cc(Nc2cccc(N3CC[NH+](C)CC3)c2)n(-c2cc[nH+]cc2)n1 ZINC001212712808 1372759271 /nfs/dbraw/zinc/75/92/71/1372759271.db2.gz DMJIRXQGFSYMNT-UHFFFAOYSA-N 2 0 348.454 3.071 20 0 EGADRP CCC/C=C\CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357153 1373118451 /nfs/dbraw/zinc/11/84/51/1373118451.db2.gz SXFUHNKMDPCHLQ-XDXAGZTOSA-N 2 0 335.536 3.093 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001214990442 1373152752 /nfs/dbraw/zinc/15/27/52/1373152752.db2.gz PNFOKARJADKOFW-RVKKMQEKSA-N 2 0 349.494 3.054 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001214990587 1373152796 /nfs/dbraw/zinc/15/27/96/1373152796.db2.gz XAWOWQHOEMLZNI-IIDMSEBBSA-N 2 0 349.494 3.054 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234368 1373189638 /nfs/dbraw/zinc/18/96/38/1373189638.db2.gz QSYHRSRCKMQKEL-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C)c1ccc(F)cc1 ZINC001216226320 1373285243 /nfs/dbraw/zinc/28/52/43/1373285243.db2.gz SDXNPVQTMWBBJM-ATZDWAIDSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)c2sccc2C[NH+](C)C)c1 ZINC001128543391 1373286858 /nfs/dbraw/zinc/28/68/58/1373286858.db2.gz CKJSFXXIYSSIJN-HNNXBMFYSA-N 2 0 345.512 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001216510848 1373313054 /nfs/dbraw/zinc/31/30/54/1373313054.db2.gz ARLCZFJQMCQXHP-QWFCFKBJSA-N 2 0 345.531 3.143 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001216774046 1373341322 /nfs/dbraw/zinc/34/13/22/1373341322.db2.gz OURYMVSAPIHJSY-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001216838896 1373349195 /nfs/dbraw/zinc/34/91/95/1373349195.db2.gz HKFVCYCTNXUMBG-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001216843146 1373350268 /nfs/dbraw/zinc/35/02/68/1373350268.db2.gz YBAZJCNSZQVQSL-OXQOHEQNSA-N 2 0 345.531 3.235 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846469 1373350875 /nfs/dbraw/zinc/35/08/75/1373350875.db2.gz GWXNSSBWMCQHJD-JCHUFIKGSA-N 2 0 349.563 3.290 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001216953940 1373370062 /nfs/dbraw/zinc/37/00/62/1373370062.db2.gz KVBLRYRTEQHBIJ-JFIYKMOQSA-N 2 0 349.519 3.218 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001129839485 1373427645 /nfs/dbraw/zinc/42/76/45/1373427645.db2.gz ALNBLAGQPFNEOG-XLIONFOSSA-N 2 0 345.531 3.451 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccc2ccccc21 ZINC001130305800 1373487967 /nfs/dbraw/zinc/48/79/67/1373487967.db2.gz LRCUOPUPZDAIIE-JXFKEZNVSA-N 2 0 339.483 3.091 20 0 EGADRP CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@H]3C[NH2+]C[C@@H]3F)c2C1 ZINC001218019216 1373539022 /nfs/dbraw/zinc/53/90/22/1373539022.db2.gz GSVJFIYGOLLZGA-KPFFTGBYSA-N 2 0 334.479 3.355 20 0 EGADRP C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001218035153 1373544187 /nfs/dbraw/zinc/54/41/87/1373544187.db2.gz HNKLTFWHYASPLF-DNVCBOLYSA-N 2 0 325.456 3.207 20 0 EGADRP CC[C@@H](c1cccc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@H]32)c1)[C@@H](C)C[NH+](C)C ZINC001218149713 1373569901 /nfs/dbraw/zinc/56/99/01/1373569901.db2.gz OZOSFWFLDKUWHZ-KDJJVYBXSA-N 2 0 346.515 3.276 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130615411 1373571055 /nfs/dbraw/zinc/57/10/55/1373571055.db2.gz LTIHMCKPLRGWAI-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)c1cccc(Cl)c1 ZINC001130867908 1373599696 /nfs/dbraw/zinc/59/96/96/1373599696.db2.gz UCJYNIBTNDQOLI-ZDUSSCGKSA-N 2 0 342.830 3.068 20 0 EGADRP C[C@@H]1CC[C@@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C[NH2+]1 ZINC001218401422 1373608197 /nfs/dbraw/zinc/60/81/97/1373608197.db2.gz HMPPMIXTGLJOBR-RHSMWYFYSA-N 2 0 327.472 3.496 20 0 EGADRP Cc1ccccc1Oc1ccccc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218851545 1373660366 /nfs/dbraw/zinc/66/03/66/1373660366.db2.gz RQMHKAWQYQCTJT-IBGZPJMESA-N 2 0 339.439 3.053 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]([NH3+])Cc2ccc3ccccc3c2)cc1 ZINC001219345542 1373702690 /nfs/dbraw/zinc/70/26/90/1373702690.db2.gz SOHKDALHTHITJC-IBGZPJMESA-N 2 0 333.435 3.197 20 0 EGADRP CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001219486369 1373711942 /nfs/dbraw/zinc/71/19/42/1373711942.db2.gz ITISKFANUZJPBP-MOPGFXCFSA-N 2 0 343.515 3.342 20 0 EGADRP [NH3+][C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC001219818251 1373733380 /nfs/dbraw/zinc/73/33/80/1373733380.db2.gz AQGNOMHNLOYUHB-HKBOAZHASA-N 2 0 345.446 3.059 20 0 EGADRP CCCC[C@H]([NH2+]C)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221201073 1373767749 /nfs/dbraw/zinc/76/77/49/1373767749.db2.gz ASHZTADCYDDTKV-RBUKOAKNSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c(Cl)c1Cl ZINC001222207635 1373820995 /nfs/dbraw/zinc/82/09/95/1373820995.db2.gz AFNREOMGSVDSHJ-UHFFFAOYSA-N 2 0 329.271 3.256 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](OCCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001224746371 1375074180 /nfs/dbraw/zinc/07/41/80/1375074180.db2.gz APQZZUDVHCYKRX-PWRODBHTSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001225543052 1375122456 /nfs/dbraw/zinc/12/24/56/1375122456.db2.gz QGCHSAIZQIBRJA-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CCCCC1 ZINC001132105463 1375149729 /nfs/dbraw/zinc/14/97/29/1375149729.db2.gz HLEOUUIHPHNLRO-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC1CCC1 ZINC001132105644 1375150826 /nfs/dbraw/zinc/15/08/26/1375150826.db2.gz KQDIDVZQDUEPPB-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132105903 1375151289 /nfs/dbraw/zinc/15/12/89/1375151289.db2.gz OGIKFQNWIBVCAY-AEFFLSMTSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@@H]1C ZINC001132133064 1375163859 /nfs/dbraw/zinc/16/38/59/1375163859.db2.gz XLXJSRMDESUDJQ-GOEBONIOSA-N 2 0 328.460 3.336 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)C)C1 ZINC001132154276 1375174209 /nfs/dbraw/zinc/17/42/09/1375174209.db2.gz YCMLXOWMQWSOMZ-DLBZAZTESA-N 2 0 325.541 3.122 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CCCC(C)(C)C ZINC001132264811 1375254949 /nfs/dbraw/zinc/25/49/49/1375254949.db2.gz BUBRRNBFPYSWMF-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCCC1CCCC1 ZINC001132265825 1375255205 /nfs/dbraw/zinc/25/52/05/1375255205.db2.gz TYBKAMFMTMHOCE-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCCC1CCCC1 ZINC001132265826 1375255259 /nfs/dbraw/zinc/25/52/59/1375255259.db2.gz TYBKAMFMTMHOCE-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c(C)c1 ZINC001132269523 1375257288 /nfs/dbraw/zinc/25/72/88/1375257288.db2.gz LGVNXBCCTCLWOG-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309828 1375287636 /nfs/dbraw/zinc/28/76/36/1375287636.db2.gz FDCLTJIEVVTBLW-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226784785 1375333349 /nfs/dbraw/zinc/33/33/49/1375333349.db2.gz NLSZDYLKMKKOOW-HXUWFJFHSA-N 2 0 327.516 3.259 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132376389 1375338329 /nfs/dbraw/zinc/33/83/29/1375338329.db2.gz MJVGISDMEHFHLL-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132409761 1375358150 /nfs/dbraw/zinc/35/81/50/1375358150.db2.gz DTUXOFAZFQVAHN-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132409853 1375358200 /nfs/dbraw/zinc/35/82/00/1375358200.db2.gz FVQKVDJSXUJCKE-PKOBYXMFSA-N 2 0 335.536 3.188 20 0 EGADRP CCc1cccc(C[NH+]2C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]2C)c1 ZINC001132409814 1375359097 /nfs/dbraw/zinc/35/90/97/1375359097.db2.gz FMGJMTUMWPKBOC-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410834 1375359517 /nfs/dbraw/zinc/35/95/17/1375359517.db2.gz OWVIZDGYFZOTIH-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132410942 1375360450 /nfs/dbraw/zinc/36/04/50/1375360450.db2.gz QAZBOSKRLHPFHV-NCJCTJFTSA-N 2 0 343.515 3.011 20 0 EGADRP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132432268 1375376973 /nfs/dbraw/zinc/37/69/73/1375376973.db2.gz BMHZZWPAPBXUAV-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC(CC)CC)C1 ZINC001132436345 1375381664 /nfs/dbraw/zinc/38/16/64/1375381664.db2.gz KRCBLIKEGNWEOE-WMZOPIPTSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(CC)cc2)C1 ZINC001132440771 1375384191 /nfs/dbraw/zinc/38/41/91/1375384191.db2.gz FPPIMIILDDWHLA-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001227149850 1375397828 /nfs/dbraw/zinc/39/78/28/1375397828.db2.gz FUWYVVRAAJELMS-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517292 1375435984 /nfs/dbraw/zinc/43/59/84/1375435984.db2.gz AOZAUQOSSIAMIL-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132518133 1375436232 /nfs/dbraw/zinc/43/62/32/1375436232.db2.gz IWGPDEBYSKICDG-PKOBYXMFSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519477 1375437242 /nfs/dbraw/zinc/43/72/42/1375437242.db2.gz ZLWQBGZMWRKQDA-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132526227 1375442457 /nfs/dbraw/zinc/44/24/57/1375442457.db2.gz ZJENHCRLSIHKCB-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548489 1375455329 /nfs/dbraw/zinc/45/53/29/1375455329.db2.gz DOSMGPIYCARJPA-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC=C(C)C)C1 ZINC001228137759 1375520016 /nfs/dbraw/zinc/52/00/16/1375520016.db2.gz LFLGXYIPLSHITF-GUDVDZBRSA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001228169002 1375523031 /nfs/dbraw/zinc/52/30/31/1375523031.db2.gz QHSUIFFEUOSULL-SNAWJCMRSA-N 2 0 340.471 3.275 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)cc1C ZINC001228262689 1375536443 /nfs/dbraw/zinc/53/64/43/1375536443.db2.gz XIMJIYGRZBUNEI-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001228262157 1375536790 /nfs/dbraw/zinc/53/67/90/1375536790.db2.gz PYVDLLVTXLLGRZ-RTBURBONSA-N 2 0 335.536 3.236 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001228377418 1375559310 /nfs/dbraw/zinc/55/93/10/1375559310.db2.gz QIVMBVUODQPWIA-WOJBJXKFSA-N 2 0 343.515 3.033 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132832815 1375589432 /nfs/dbraw/zinc/58/94/32/1375589432.db2.gz ZZUHPCDZQRRSOT-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)[NH+](CC)CC ZINC001228558784 1375597143 /nfs/dbraw/zinc/59/71/43/1375597143.db2.gz DUELJQYRFBGVSX-VAMGGRTRSA-N 2 0 345.531 3.324 20 0 EGADRP C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001132892947 1375629453 /nfs/dbraw/zinc/62/94/53/1375629453.db2.gz KOAGJTXQJIGFNL-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001228931958 1375719784 /nfs/dbraw/zinc/71/97/84/1375719784.db2.gz HURBGAQDCYZNHQ-RTBURBONSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001228932752 1375720491 /nfs/dbraw/zinc/72/04/91/1375720491.db2.gz USGIZPXKQUZPIS-QRVBRYPASA-N 2 0 335.536 3.233 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC001229058884 1375754035 /nfs/dbraw/zinc/75/40/35/1375754035.db2.gz WKGDVVUZHYXRRX-FXAWDEMLSA-N 2 0 345.531 3.223 20 0 EGADRP C[N@H+](CC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1)CC(C)(C)C ZINC001229214722 1375788975 /nfs/dbraw/zinc/78/89/75/1375788975.db2.gz KTFCSIZXGRKBHF-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165367 1375818483 /nfs/dbraw/zinc/81/84/83/1375818483.db2.gz FUJVELJHMPDKQG-FXAWDEMLSA-N 2 0 345.531 3.236 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133195505 1375835151 /nfs/dbraw/zinc/83/51/51/1375835151.db2.gz RLEJYOXKQQTATM-BGEOSOQGSA-N 2 0 349.563 3.149 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133224823 1375852875 /nfs/dbraw/zinc/85/28/75/1375852875.db2.gz FCRZORNOVBHIEC-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001229544985 1375853354 /nfs/dbraw/zinc/85/33/54/1375853354.db2.gz OYOBPQRZMPZRIQ-PSCPARJHSA-N 2 0 347.547 3.330 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133225842 1375853442 /nfs/dbraw/zinc/85/34/42/1375853442.db2.gz KPHUIUMFBNELAF-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1nccn1CCCC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001229616554 1375864983 /nfs/dbraw/zinc/86/49/83/1375864983.db2.gz MRMDGMSALHAKBI-UHFFFAOYSA-N 2 0 348.535 3.379 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133263413 1375880345 /nfs/dbraw/zinc/88/03/45/1375880345.db2.gz UZKCBQHGGAGWBQ-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001133310951 1375915202 /nfs/dbraw/zinc/91/52/02/1375915202.db2.gz TXHHQSHDKCMQED-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC001230017098 1375931429 /nfs/dbraw/zinc/93/14/29/1375931429.db2.gz TZZDQGVNQMQKLW-UHFFFAOYSA-N 2 0 337.552 3.435 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001230284803 1375984745 /nfs/dbraw/zinc/98/47/45/1375984745.db2.gz VTUJRDLCRWASHR-VAMGGRTRSA-N 2 0 343.515 3.031 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC2CCCC2)CC1 ZINC001230630743 1376109107 /nfs/dbraw/zinc/10/91/07/1376109107.db2.gz UMELITPLDLQOOI-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](CC)CC ZINC001133686906 1376155646 /nfs/dbraw/zinc/15/56/46/1376155646.db2.gz BGKYHFILLXWMBA-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cnc(F)c(C)c1 ZINC001231925934 1376353775 /nfs/dbraw/zinc/35/37/75/1376353775.db2.gz FOPOFKLVCPZRNG-UHFFFAOYSA-N 2 0 338.515 3.015 20 0 EGADRP CN1CCC([N@H+](C)Cc2c[nH]c3c2cccc3Br)CC1 ZINC001232016030 1376383697 /nfs/dbraw/zinc/38/36/97/1376383697.db2.gz GCSJFVGKVMHXRR-UHFFFAOYSA-N 2 0 336.277 3.456 20 0 EGADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014683 1376384925 /nfs/dbraw/zinc/38/49/25/1376384925.db2.gz LWICERFCLSJHTR-CALCHBBNSA-N 2 0 338.480 3.473 20 0 EGADRP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019181 1376385281 /nfs/dbraw/zinc/38/52/81/1376385281.db2.gz XMNMFTBYLIZHJE-CZUORRHYSA-N 2 0 344.459 3.441 20 0 EGADRP Oc1cncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001232042646 1376388310 /nfs/dbraw/zinc/38/83/10/1376388310.db2.gz UXHPRGHYGGOLHS-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC001327207347 1388443727 /nfs/dbraw/zinc/44/37/27/1388443727.db2.gz XSTLLHWTXJISIM-OXQOHEQNSA-N 2 0 329.488 3.389 20 0 EGADRP Cc1c[nH]c(=O)c(CN2CCC([N@H+](C)Cc3cccc(F)c3)CC2)c1 ZINC001233194358 1376582882 /nfs/dbraw/zinc/58/28/82/1376582882.db2.gz QMNZKDZANSJHAE-UHFFFAOYSA-N 2 0 343.446 3.331 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(CF)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583822 1376608042 /nfs/dbraw/zinc/60/80/42/1376608042.db2.gz OTQFSWXSSWFSJP-JKSUJKDBSA-N 2 0 349.494 3.013 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584204 1376608457 /nfs/dbraw/zinc/60/84/57/1376608457.db2.gz RUWSMGVULUEWGF-DLBZAZTESA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001327226006 1388452671 /nfs/dbraw/zinc/45/26/71/1388452671.db2.gz VMNWHOUONLXPEX-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001134612412 1376624186 /nfs/dbraw/zinc/62/41/86/1376624186.db2.gz MDQJBFZXTGFHBI-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612904 1376624244 /nfs/dbraw/zinc/62/42/44/1376624244.db2.gz QTFLIKCGTHDYFN-IAGOWNOFSA-N 2 0 335.536 3.234 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134611842 1376624792 /nfs/dbraw/zinc/62/47/92/1376624792.db2.gz CRIWXKITEQMEGF-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC001134759020 1376703554 /nfs/dbraw/zinc/70/35/54/1376703554.db2.gz FGYDMAXOQLOHIE-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H](C(=O)NCC[NH2+]CCC1CCCCCC1)[NH+]1CCCCCC1 ZINC001134757812 1376703657 /nfs/dbraw/zinc/70/36/57/1376703657.db2.gz RVYMOTPJBVROTR-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)[NH+]1CCCCCC1 ZINC001134759675 1376704224 /nfs/dbraw/zinc/70/42/24/1376704224.db2.gz XPTZGHMSEZDCBX-FXAWDEMLSA-N 2 0 343.515 3.034 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)cc1 ZINC001134772834 1376712584 /nfs/dbraw/zinc/71/25/84/1376712584.db2.gz IETSZQUBULKDKF-IAGOWNOFSA-N 2 0 347.547 3.352 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001134773150 1376713985 /nfs/dbraw/zinc/71/39/85/1376713985.db2.gz MFGWNEXADFEUOV-KGLIPLIRSA-N 2 0 339.549 3.160 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134774155 1376714405 /nfs/dbraw/zinc/71/44/05/1376714405.db2.gz VYMDNKLVXVKBQC-MMCLNADLSA-N 2 0 325.541 3.336 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892622 1376771014 /nfs/dbraw/zinc/77/10/14/1376771014.db2.gz NTTNTRBVQZXLST-JKSUJKDBSA-N 2 0 330.476 3.401 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346574 1376815278 /nfs/dbraw/zinc/81/52/78/1376815278.db2.gz YNHJKZCPRVLWKP-QGZVFWFLSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993598 1376832686 /nfs/dbraw/zinc/83/26/86/1376832686.db2.gz JVCKAVVJHXJIHM-JKSUJKDBSA-N 2 0 330.476 3.257 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994858 1376833033 /nfs/dbraw/zinc/83/30/33/1376833033.db2.gz XEUDKKHQGSKRJA-DOOVEFGSSA-N 2 0 328.460 3.177 20 0 EGADRP c1ccc(Oc2cccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235035205 1376833550 /nfs/dbraw/zinc/83/35/50/1376833550.db2.gz DDPXCAMWIDOBGK-WIYYLYMNSA-N 2 0 338.451 3.289 20 0 EGADRP Cc1cc(Br)cc(C)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235338997 1376867778 /nfs/dbraw/zinc/86/77/78/1376867778.db2.gz FRROMMGEDGKPKZ-UHFFFAOYSA-N 2 0 337.305 3.497 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001235337597 1376867973 /nfs/dbraw/zinc/86/79/73/1376867973.db2.gz ULSOWMOZWUSWTK-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP COc1ccc2nccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235427652 1376871059 /nfs/dbraw/zinc/87/10/59/1376871059.db2.gz MTBXDXNYWQGGRS-SJORKVTESA-N 2 0 339.483 3.455 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001235629781 1376879189 /nfs/dbraw/zinc/87/91/89/1376879189.db2.gz SBFZFJQAQXYMGK-HXUWFJFHSA-N 2 0 333.495 3.385 20 0 EGADRP COc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc2c1OCC=C2 ZINC001235702376 1376885385 /nfs/dbraw/zinc/88/53/85/1376885385.db2.gz JBICJPRCOCHKRL-UHFFFAOYSA-N 2 0 342.483 3.312 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082264 1376885617 /nfs/dbraw/zinc/88/56/17/1376885617.db2.gz ZUZYSHJXZVDWBX-ROUUACIJSA-N 2 0 345.531 3.324 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102817 1376901100 /nfs/dbraw/zinc/90/11/00/1376901100.db2.gz OIJYYEVGMGTCAV-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)CC2)cc1 ZINC001235881682 1376909818 /nfs/dbraw/zinc/90/98/18/1376909818.db2.gz HMXZBDBTUKWPQM-JOCHJYFZSA-N 3 0 341.543 3.363 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(OC(C)C)c1 ZINC001235887897 1376910660 /nfs/dbraw/zinc/91/06/60/1376910660.db2.gz LINANGXHKKNZMU-LJQANCHMSA-N 2 0 332.488 3.446 20 0 EGADRP Clc1cccc([C@H]2CC[N@H+](CC[C@@H]3C[NH2+]CCO3)C2)c1Cl ZINC001235885227 1376910732 /nfs/dbraw/zinc/91/07/32/1376910732.db2.gz TWYLNECEKZDKPQ-QWHCGFSZSA-N 2 0 329.271 3.161 20 0 EGADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(F)c(CO)c3F)cc2)CC1 ZINC001235896278 1376913167 /nfs/dbraw/zinc/91/31/67/1376913167.db2.gz MILDDRIONSUMQH-UHFFFAOYSA-N 2 0 332.394 3.047 20 0 EGADRP CCN(C[C@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235947603 1376922728 /nfs/dbraw/zinc/92/27/28/1376922728.db2.gz DMYZMKIRESHVIX-FGZHOGPDSA-N 2 0 337.511 3.153 20 0 EGADRP Cc1ccc([C@]2(C)C[N@H+](CC3CC4(C3)CC[NH2+]CC4)CCO2)cc1 ZINC001235947535 1376922971 /nfs/dbraw/zinc/92/29/71/1376922971.db2.gz DVJKRRHEFAXDIG-FQEVSTJZSA-N 2 0 328.500 3.322 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc5c(c4)C[NH2+]C5)C[C@@H]3C2)cc1 ZINC001236182939 1376939580 /nfs/dbraw/zinc/93/95/80/1376939580.db2.gz AVPXNEDUJCICCL-JTHBVZDNSA-N 2 0 347.506 3.244 20 0 EGADRP Fc1ccc(CN(CCC[NH+]2CCCCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236387709 1376952275 /nfs/dbraw/zinc/95/22/75/1376952275.db2.gz FIRIHCPQVRWRHO-HXUWFJFHSA-N 2 0 333.495 3.256 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181048 1376953009 /nfs/dbraw/zinc/95/30/09/1376953009.db2.gz LMYUCUYZCUFQDJ-HOTGVXAUSA-N 2 0 349.494 3.073 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180030 1376953571 /nfs/dbraw/zinc/95/35/71/1376953571.db2.gz CDRRPJBOVDQOFG-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP CCC[N@@H+](Cc1ccc(OC(F)(F)F)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236845078 1376966797 /nfs/dbraw/zinc/96/67/97/1376966797.db2.gz YUIATZMBPBYQNR-AWEZNQCLSA-N 2 0 346.393 3.415 20 0 EGADRP Fc1ccc(C(F)(F)F)cc1[C@H]1CCC[N@@H+]1CC[C@H]1C[NH2+]CCO1 ZINC001237058356 1376974307 /nfs/dbraw/zinc/97/43/07/1376974307.db2.gz ZTKZICYNNNDWGS-XJKSGUPXSA-N 2 0 346.368 3.360 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001242153271 1377023035 /nfs/dbraw/zinc/02/30/35/1377023035.db2.gz XLGRDNVCDAUUNS-HXUWFJFHSA-N 2 0 326.440 3.035 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1sccc1Cl)NC(=O)CCC[NH+](C)C ZINC001135315029 1377033652 /nfs/dbraw/zinc/03/36/52/1377033652.db2.gz KMBMVSIYGKNYIG-QWHCGFSZSA-N 2 0 345.940 3.116 20 0 EGADRP c1ccc(C[C@@H](CN2CCCC2)[NH2+]C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246297050 1377050893 /nfs/dbraw/zinc/05/08/93/1377050893.db2.gz KGRNLGRNRVHYGQ-ORFBVSJDSA-N 2 0 341.543 3.205 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246292276 1377051119 /nfs/dbraw/zinc/05/11/19/1377051119.db2.gz LHRJKJZVKFWLHP-USZBZKHASA-N 2 0 336.520 3.400 20 0 EGADRP COc1ccc(C2(N[C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC[NH2+]CC2)cc1 ZINC001246380362 1377051555 /nfs/dbraw/zinc/05/15/55/1377051555.db2.gz KPJVIIBBNHRJCS-MJGOQNOKSA-N 2 0 345.531 3.030 20 0 EGADRP CO[C@@H]1CCC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C1 ZINC001246382571 1377051574 /nfs/dbraw/zinc/05/15/74/1377051574.db2.gz CBQDMYIYKPTCJN-RBUKOAKNSA-N 2 0 334.479 3.285 20 0 EGADRP Brc1ccc2c(c1)C[C@@H]([NH2+]C1CCC3(C[NH2+]C3)CC1)CC2 ZINC001246380635 1377051635 /nfs/dbraw/zinc/05/16/35/1377051635.db2.gz YDGPPAIUOLDZHW-KRWDZBQOSA-N 2 0 349.316 3.428 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@](F)(C[NH3+])CC3)CCO2)cc1 ZINC001246546376 1377052423 /nfs/dbraw/zinc/05/24/23/1377052423.db2.gz GHMWBKOLBCGKOK-NEWSRXKRSA-N 2 0 336.451 3.068 20 0 EGADRP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C3)c1 ZINC001246727878 1377053447 /nfs/dbraw/zinc/05/34/47/1377053447.db2.gz WYUSVMRGPHSATO-PBASOCQRSA-N 2 0 343.515 3.149 20 0 EGADRP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C3)c1 ZINC001246717473 1377053501 /nfs/dbraw/zinc/05/35/01/1377053501.db2.gz ACRKAMGCNFWOSR-WLRLJWMZSA-N 2 0 343.515 3.149 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246763483 1377053943 /nfs/dbraw/zinc/05/39/43/1377053943.db2.gz CPDTYJZGBZKUJQ-KKIXZNNDSA-N 3 0 339.527 3.380 20 0 EGADRP C(O[C@@H]1CCC[C@@H]2C[N@@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@@H]21)C1CC1 ZINC001246747303 1377054594 /nfs/dbraw/zinc/05/45/94/1377054594.db2.gz URNCCWPWJSTYEE-FBMNKOPTSA-N 2 0 332.532 3.436 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246821066 1377054935 /nfs/dbraw/zinc/05/49/35/1377054935.db2.gz ICLMPKCWXDEFAJ-FYQPLNBISA-N 2 0 327.516 3.112 20 0 EGADRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC001253411589 1377097782 /nfs/dbraw/zinc/09/77/82/1377097782.db2.gz PVWFUJSPXXNBBV-OAHLLOKOSA-N 2 0 346.437 3.365 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001135440209 1377098492 /nfs/dbraw/zinc/09/84/92/1377098492.db2.gz HXSJPPVASTZFIJ-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254372662 1377103191 /nfs/dbraw/zinc/10/31/91/1377103191.db2.gz MHHTUEHBVCMPFC-INIZCTEOSA-N 2 0 342.405 3.220 20 0 EGADRP COc1ccccc1OCC1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254529573 1377107275 /nfs/dbraw/zinc/10/72/75/1377107275.db2.gz NXRFBTIBAMGYNO-SFHVURJKSA-N 2 0 332.488 3.270 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481798 1377114056 /nfs/dbraw/zinc/11/40/56/1377114056.db2.gz XQOWVCZOIAQMQK-DLBZAZTESA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+]C2CCC3(CC2)OCC(C)(C)CO3)CC1 ZINC001258518650 1377116861 /nfs/dbraw/zinc/11/68/61/1377116861.db2.gz WCLLYCBEXNZHNJ-UHFFFAOYSA-N 2 0 338.536 3.408 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC001135524544 1377128848 /nfs/dbraw/zinc/12/88/48/1377128848.db2.gz VYWRWRLFLKTENE-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613838 1377161719 /nfs/dbraw/zinc/16/17/19/1377161719.db2.gz IAPWBEKVYXRFKX-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614010 1377162302 /nfs/dbraw/zinc/16/23/02/1377162302.db2.gz LACJZASZZHZDPJ-HOTGVXAUSA-N 2 0 325.541 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135705641 1377190201 /nfs/dbraw/zinc/19/02/01/1377190201.db2.gz GWSMDPLZNVNHNF-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767852 1377205959 /nfs/dbraw/zinc/20/59/59/1377205959.db2.gz IZVJAGBJTUTVJJ-RTBURBONSA-N 2 0 349.563 3.482 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001135767766 1377205977 /nfs/dbraw/zinc/20/59/77/1377205977.db2.gz HZFFCRYCCNDKCU-OALUTQOASA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768316 1377206247 /nfs/dbraw/zinc/20/62/47/1377206247.db2.gz NZBLTTCGGJHYRZ-QZTJIDSGSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCC(C)(C)C ZINC001135768952 1377206721 /nfs/dbraw/zinc/20/67/21/1377206721.db2.gz VFIYFJRTVPNDGY-MSOLQXFVSA-N 2 0 339.568 3.418 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788543 1377211443 /nfs/dbraw/zinc/21/14/43/1377211443.db2.gz HMIZPZMDMYNYBA-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135789768 1377211770 /nfs/dbraw/zinc/21/17/70/1377211770.db2.gz ZPYZMOYBFGFOEE-IAGOWNOFSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001266182445 1377218916 /nfs/dbraw/zinc/21/89/16/1377218916.db2.gz IECMFKINYRGSSW-KXBFYZLASA-N 2 0 349.494 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001135824789 1377222616 /nfs/dbraw/zinc/22/26/16/1377222616.db2.gz XOTGZLXQDXTVCC-ROUUACIJSA-N 2 0 345.531 3.180 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001266195651 1377222743 /nfs/dbraw/zinc/22/27/43/1377222743.db2.gz XSHDUGVREJXDMN-KXBFYZLASA-N 2 0 349.494 3.150 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135858099 1377236792 /nfs/dbraw/zinc/23/67/92/1377236792.db2.gz SKQRDRAOGCDZTD-CHWSQXEVSA-N 2 0 345.940 3.116 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135861711 1377238670 /nfs/dbraw/zinc/23/86/70/1377238670.db2.gz VYOTUZBCHYUCNX-IAGOWNOFSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135861713 1377238781 /nfs/dbraw/zinc/23/87/81/1377238781.db2.gz VYOTUZBCHYUCNX-SJORKVTESA-N 2 0 345.531 3.279 20 0 EGADRP C[NH+](CC(=O)NCC[N@@H+](C)CCC1CCCCCC1)CC(C)(C)C ZINC001266326779 1377273903 /nfs/dbraw/zinc/27/39/03/1377273903.db2.gz LGUVJZFNEUYGGI-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135960507 1377276845 /nfs/dbraw/zinc/27/68/45/1377276845.db2.gz DCCRIQLPBPAASM-MSOLQXFVSA-N 2 0 333.520 3.100 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961755 1377277692 /nfs/dbraw/zinc/27/76/92/1377277692.db2.gz WEWMIBFHLKOQIV-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135975693 1377283939 /nfs/dbraw/zinc/28/39/39/1377283939.db2.gz ARUSXAAYVMPFOV-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135975966 1377284599 /nfs/dbraw/zinc/28/45/99/1377284599.db2.gz FTSLZVCDDVODKR-QWHCGFSZSA-N 2 0 345.940 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135979629 1377285188 /nfs/dbraw/zinc/28/51/88/1377285188.db2.gz HYMSBYCJDKRUQY-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135991499 1377289582 /nfs/dbraw/zinc/28/95/82/1377289582.db2.gz FBMRNCGOXJPGMT-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001135995583 1377292211 /nfs/dbraw/zinc/29/22/11/1377292211.db2.gz IDBXBALQVLERBM-QZTJIDSGSA-N 2 0 333.520 3.100 20 0 EGADRP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001136536109 1377403470 /nfs/dbraw/zinc/40/34/70/1377403470.db2.gz RHWMKNSZFQLUHY-WOJBJXKFSA-N 2 0 345.531 3.230 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267683588 1377466382 /nfs/dbraw/zinc/46/63/82/1377466382.db2.gz LKDMAQJMNJNUQX-SFHVURJKSA-N 2 0 339.568 3.181 20 0 EGADRP C[C@H](C[N@H+](C)CC1CC(C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001268741444 1377524135 /nfs/dbraw/zinc/52/41/35/1377524135.db2.gz ZTJIRHUESGJSJU-LXPRWKDFSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001137849067 1377630248 /nfs/dbraw/zinc/63/02/48/1377630248.db2.gz CAGXTJZGHXZHNQ-IFMALSPDSA-N 2 0 342.527 3.484 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001272178960 1377660023 /nfs/dbraw/zinc/66/00/23/1377660023.db2.gz UPBHKJQKOFIWFH-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc5nccnc45)C[C@H]3C2)cc1 ZINC001138304336 1377699250 /nfs/dbraw/zinc/69/92/50/1377699250.db2.gz KMUJOASANADZIM-BGYRXZFFSA-N 2 0 344.462 3.194 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)ccc1Cl ZINC001138674245 1377765626 /nfs/dbraw/zinc/76/56/26/1377765626.db2.gz MGMHCHPYMQADBH-UHFFFAOYSA-N 2 0 329.891 3.185 20 0 EGADRP CCCn1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041576 1377821273 /nfs/dbraw/zinc/82/12/73/1377821273.db2.gz LKLNNWWDUSNEDD-LEWJYISDSA-N 2 0 338.499 3.247 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3cccnc3c2)CC1 ZINC001139168837 1377842858 /nfs/dbraw/zinc/84/28/58/1377842858.db2.gz ZLHUQIJZCMBOPL-HXUWFJFHSA-N 2 0 339.483 3.310 20 0 EGADRP COc1ccc(-c2ncc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)s2)cc1 ZINC001139794477 1377951283 /nfs/dbraw/zinc/95/12/83/1377951283.db2.gz FQBIAHYFMQYLFQ-LJQANCHMSA-N 2 0 343.496 3.346 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2cncc3ccccc32)CC1 ZINC001139894974 1377974346 /nfs/dbraw/zinc/97/43/46/1377974346.db2.gz NCHRSKLVMUMRPL-FQEVSTJZSA-N 2 0 339.483 3.310 20 0 EGADRP Fc1cccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)n1 ZINC001140134481 1378016502 /nfs/dbraw/zinc/01/65/02/1378016502.db2.gz JIRMBVQBGGKYAI-UHFFFAOYSA-N 2 0 325.431 3.319 20 0 EGADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001140414696 1378059712 /nfs/dbraw/zinc/05/97/12/1378059712.db2.gz ZOFBGHVMLVKDKU-CALCHBBNSA-N 2 0 342.874 3.181 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@H+](C)CCCC2CCCC2)CC1 ZINC001275135893 1378134492 /nfs/dbraw/zinc/13/44/92/1378134492.db2.gz OYDLNYFGBHHHKM-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001140968799 1378196138 /nfs/dbraw/zinc/19/61/38/1378196138.db2.gz QVQRAQCAQIUTOZ-HXUWFJFHSA-N 2 0 335.495 3.428 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H]2CC[NH+](CC3CCC3)C2)CC1 ZINC001277286463 1378216142 /nfs/dbraw/zinc/21/61/42/1378216142.db2.gz ZXEDPUKKOAGFRE-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5n4CCC5)C[C@H]3CC2)c1 ZINC001277330508 1378217579 /nfs/dbraw/zinc/21/75/79/1378217579.db2.gz UCVRWLTWNSERAQ-HDICACEKSA-N 2 0 338.499 3.106 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277423902 1378221935 /nfs/dbraw/zinc/22/19/35/1378221935.db2.gz XBIVQYZUJKSFGP-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2CC1(C)CCCCC1 ZINC001277620203 1378239653 /nfs/dbraw/zinc/23/96/53/1378239653.db2.gz FAKBIPSIKOVJDO-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2C[NH+](Cc3nncn3C)C[C@H]2CC1 ZINC001277623842 1378240885 /nfs/dbraw/zinc/24/08/85/1378240885.db2.gz NLISLTQIEDILFD-QRVBRYPASA-N 2 0 347.551 3.175 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001278021892 1378254910 /nfs/dbraw/zinc/25/49/10/1378254910.db2.gz LPOGCASXHDXBEZ-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001142070484 1378410411 /nfs/dbraw/zinc/41/04/11/1378410411.db2.gz QKIJQZYLBLOBAP-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001142603491 1378463438 /nfs/dbraw/zinc/46/34/38/1378463438.db2.gz LSKUFZQMCSYNLZ-UHFFFAOYSA-N 2 0 330.472 3.171 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263112 1378572116 /nfs/dbraw/zinc/57/21/16/1378572116.db2.gz VFWIMHSYHGWWFN-OAHLLOKOSA-N 2 0 332.341 3.252 20 0 EGADRP C[NH+](CC1CCC1)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001283319533 1378803785 /nfs/dbraw/zinc/80/37/85/1378803785.db2.gz MJCAHCYKDGHDEG-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146582230 1378870691 /nfs/dbraw/zinc/87/06/91/1378870691.db2.gz FQSWWFTXQLYVHG-IRXDYDNUSA-N 2 0 333.520 3.281 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001146591925 1378873887 /nfs/dbraw/zinc/87/38/87/1378873887.db2.gz IJABXWKGKUPWCR-QWHCGFSZSA-N 2 0 345.940 3.115 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001146614321 1378877548 /nfs/dbraw/zinc/87/75/48/1378877548.db2.gz XTOXFEHOVVCHKW-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001146612585 1378877649 /nfs/dbraw/zinc/87/76/49/1378877649.db2.gz QHANFGAADJPEMT-SJORKVTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001146612604 1378878088 /nfs/dbraw/zinc/87/80/88/1378878088.db2.gz QOIPTKYNZHSRJR-IRXDYDNUSA-N 2 0 349.494 3.075 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001147359720 1379009479 /nfs/dbraw/zinc/00/94/79/1379009479.db2.gz UOKLEVSCILUACL-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CC1CCCCC1 ZINC001147449561 1379023090 /nfs/dbraw/zinc/02/30/90/1379023090.db2.gz UFRCHKBWZPEDQP-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147552620 1379041378 /nfs/dbraw/zinc/04/13/78/1379041378.db2.gz MSYKWXCTHQNESU-WAYWQWQTSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2 ZINC001148591775 1379219140 /nfs/dbraw/zinc/21/91/40/1379219140.db2.gz XDYGDJMSJGAACG-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148812930 1379274297 /nfs/dbraw/zinc/27/42/97/1379274297.db2.gz ZGNNGNICXIQLDZ-PWBPZBFBSA-N 2 0 347.547 3.140 20 0 EGADRP Fc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC001327838428 1388604098 /nfs/dbraw/zinc/60/40/98/1388604098.db2.gz HBEVEHBQEMTYQV-XUVXKRRUSA-N 2 0 331.479 3.305 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1Cc1ccccc1 ZINC001284130827 1379511585 /nfs/dbraw/zinc/51/15/85/1379511585.db2.gz IQWNIMQNAAUNAS-HKUYNNGSSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001284133060 1379517948 /nfs/dbraw/zinc/51/79/48/1379517948.db2.gz UBGMBWPIDYVONA-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001151101071 1379662223 /nfs/dbraw/zinc/66/22/23/1379662223.db2.gz KRJCZLSQXSZMAL-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H](C)C1 ZINC001327925915 1388625718 /nfs/dbraw/zinc/62/57/18/1388625718.db2.gz PZNADZMKJZOIGP-PXNSSMCTSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001152393230 1379926134 /nfs/dbraw/zinc/92/61/34/1379926134.db2.gz ISAOVTZGULMPFT-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001152479483 1379940370 /nfs/dbraw/zinc/94/03/70/1379940370.db2.gz GOJMPQXJVRWTMB-IBGZPJMESA-N 2 0 335.536 3.093 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001284612990 1380012466 /nfs/dbraw/zinc/01/24/66/1380012466.db2.gz AIVZHVSBHWERSY-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C)[NH+](C)C ZINC001284642243 1380048531 /nfs/dbraw/zinc/04/85/31/1380048531.db2.gz MRRHDKXRBRXCPM-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361939 1380064129 /nfs/dbraw/zinc/06/41/29/1380064129.db2.gz IGDPIMXQSRLCEY-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1ccccc1C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850798 1380143781 /nfs/dbraw/zinc/14/37/81/1380143781.db2.gz CIEOQMPPESJPQZ-QGZVFWFLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879243 1380148428 /nfs/dbraw/zinc/14/84/28/1380148428.db2.gz BKTGVQKDLLWXLN-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001153997930 1380174520 /nfs/dbraw/zinc/17/45/20/1380174520.db2.gz FLNLYQLLTUYWTP-YLJYHZDGSA-N 2 0 347.547 3.477 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCCC1CCC1 ZINC001154070293 1380198046 /nfs/dbraw/zinc/19/80/46/1380198046.db2.gz XSOGKMFAGGTGRC-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154082984 1380202145 /nfs/dbraw/zinc/20/21/45/1380202145.db2.gz CRVXPDNDJWLOBJ-GOSISDBHSA-N 2 0 348.535 3.171 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH+](C)C ZINC001154467034 1380282909 /nfs/dbraw/zinc/28/29/09/1380282909.db2.gz ZVGISKFINSJHFL-GGPKGHCWSA-N 2 0 345.531 3.367 20 0 EGADRP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579828 1380309050 /nfs/dbraw/zinc/30/90/50/1380309050.db2.gz GVFLMJUKZQNAJJ-MRXNPFEDSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C)C1 ZINC001154785048 1380350584 /nfs/dbraw/zinc/35/05/84/1380350584.db2.gz XJBSHJWNOUWLFC-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155225895 1380426475 /nfs/dbraw/zinc/42/64/75/1380426475.db2.gz BWDPMKTYXROSBJ-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263925 1380430087 /nfs/dbraw/zinc/43/00/87/1380430087.db2.gz YMKUQEMNFBNKIU-MRXNPFEDSA-N 2 0 339.568 3.227 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001155288897 1380433637 /nfs/dbraw/zinc/43/36/37/1380433637.db2.gz FLNLYQLLTUYWTP-XLIONFOSSA-N 2 0 347.547 3.477 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611534 1380473500 /nfs/dbraw/zinc/47/35/00/1380473500.db2.gz IDUIHKPMCBPRPE-YMHTTXFNSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341975 1380561495 /nfs/dbraw/zinc/56/14/95/1380561495.db2.gz PSIVQRAUXAIQCF-NQIIRXRSSA-N 2 0 345.531 3.256 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374547 1380567062 /nfs/dbraw/zinc/56/70/62/1380567062.db2.gz RZNNWOVGBDZGHP-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)C[C@@]12C[C@@H]1CN(c1[nH+]c(N3CCCC3)cc3ccccc31)C2 ZINC001156396409 1380570774 /nfs/dbraw/zinc/57/07/74/1380570774.db2.gz WZGGFKPYGFOMAN-DYESRHJHSA-N 2 0 336.483 3.223 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc1 ZINC001156401679 1380571715 /nfs/dbraw/zinc/57/17/15/1380571715.db2.gz JECVONOLXJHRCB-QWFCFKBJSA-N 2 0 328.504 3.016 20 0 EGADRP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409061 1380572880 /nfs/dbraw/zinc/57/28/80/1380572880.db2.gz ATNJFLADJRXMKW-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156467067 1380579722 /nfs/dbraw/zinc/57/97/22/1380579722.db2.gz YLOTZBFKBZNQPR-GOSISDBHSA-N 2 0 333.520 3.054 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C ZINC001156517363 1380587093 /nfs/dbraw/zinc/58/70/93/1380587093.db2.gz WDTQWEFCWMLNRS-GOSISDBHSA-N 2 0 333.520 3.054 20 0 EGADRP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC)cc1 ZINC001156530628 1380589169 /nfs/dbraw/zinc/58/91/69/1380589169.db2.gz RSGGQXDLMMBNIG-GOSISDBHSA-N 2 0 347.547 3.308 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001156925289 1380730296 /nfs/dbraw/zinc/73/02/96/1380730296.db2.gz HBNGWFOVNKGBQN-KRWDZBQOSA-N 3 0 346.519 3.231 20 0 EGADRP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927223 1380730906 /nfs/dbraw/zinc/73/09/06/1380730906.db2.gz HBOVUEXMXAYXJA-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157109063 1380777624 /nfs/dbraw/zinc/77/76/24/1380777624.db2.gz IDGCDVCFWGSAIQ-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114402 1380779992 /nfs/dbraw/zinc/77/99/92/1380779992.db2.gz XKELHSNNVCHJRN-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157119425 1380781090 /nfs/dbraw/zinc/78/10/90/1380781090.db2.gz YROQZDJOYDMXCM-MSOLQXFVSA-N 2 0 339.568 3.370 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701644 1381008525 /nfs/dbraw/zinc/00/85/25/1381008525.db2.gz GVUBZIBWWHPCJF-LXORQPIJSA-N 2 0 335.536 3.140 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978120 1381091479 /nfs/dbraw/zinc/09/14/79/1381091479.db2.gz MRKHJPVXQZPJKJ-BHIYHBOVSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc1 ZINC001157987733 1381094543 /nfs/dbraw/zinc/09/45/43/1381094543.db2.gz PYNJGNGDXKCHGV-MJGOQNOKSA-N 2 0 339.487 3.020 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158061552 1381116428 /nfs/dbraw/zinc/11/64/28/1381116428.db2.gz NTFXVIMDCRQFRZ-RTBURBONSA-N 2 0 337.552 3.362 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158067214 1381118936 /nfs/dbraw/zinc/11/89/36/1381118936.db2.gz XMEIFZRKMHNTCU-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158073065 1381121363 /nfs/dbraw/zinc/12/13/63/1381121363.db2.gz HAAKFTJITFTBOG-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1F ZINC001158079610 1381122118 /nfs/dbraw/zinc/12/21/18/1381122118.db2.gz JIJXSOBBRNNCGS-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227141 1381166707 /nfs/dbraw/zinc/16/67/07/1381166707.db2.gz BHUHNFCWBTWNDM-VQIMIIECSA-N 2 0 342.487 3.307 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC=C(C)C)[NH+](CC)CC ZINC001158490999 1381266002 /nfs/dbraw/zinc/26/60/02/1381266002.db2.gz CHODOKXZNLQYAY-RTBURBONSA-N 2 0 337.552 3.386 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328285079 1388714984 /nfs/dbraw/zinc/71/49/84/1388714984.db2.gz QLMVCTXPJSPDEY-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158749822 1381381334 /nfs/dbraw/zinc/38/13/34/1381381334.db2.gz APOFRFXTLAUEFF-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[C@H]([NH2+]C)C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158977221 1381495198 /nfs/dbraw/zinc/49/51/98/1381495198.db2.gz SQWSWTAHHOZJPQ-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001755607187 1440886008 /nfs/dbraw/zinc/88/60/08/1440886008.db2.gz QIIALESHGBNRDN-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[NH2+]C3)CC2)nc1 ZINC001159050137 1381541529 /nfs/dbraw/zinc/54/15/29/1381541529.db2.gz SQYTWXKUZANTJG-SFHVURJKSA-N 2 0 328.504 3.208 20 0 EGADRP C[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001328413407 1388740334 /nfs/dbraw/zinc/74/03/34/1388740334.db2.gz NGWSUALKKXNOFC-IRXDYDNUSA-N 2 0 333.520 3.210 20 0 EGADRP CC[NH+]1CCN(c2ccc(Nc3ccc4c(c3)C[NH2+]C4)cc2F)CC1 ZINC001159556881 1381829838 /nfs/dbraw/zinc/82/98/38/1381829838.db2.gz BHFAUEXXZGITEI-UHFFFAOYSA-N 2 0 340.446 3.314 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001159678762 1381865556 /nfs/dbraw/zinc/86/55/56/1381865556.db2.gz FPSNHRHXLHKBFP-UHFFFAOYSA-N 2 0 325.456 3.059 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001159839353 1381916822 /nfs/dbraw/zinc/91/68/22/1381916822.db2.gz YYTIWUYDGUYQRH-LJQANCHMSA-N 2 0 349.563 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159908252 1381934138 /nfs/dbraw/zinc/93/41/38/1381934138.db2.gz HSTWBEAKAOIPEU-PHWHVTFISA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001159922956 1381938150 /nfs/dbraw/zinc/93/81/50/1381938150.db2.gz BILWXXSKEKWRHJ-OXJNMPFZSA-N 2 0 345.531 3.307 20 0 EGADRP Fc1ccc(N2CC[NH2+]CC2)c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001160045850 1381979032 /nfs/dbraw/zinc/97/90/32/1381979032.db2.gz OXLLEDBVHFWWQK-SFHVURJKSA-N 2 0 344.478 3.179 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2c(F)cccc2N2CC[NH2+]CC2)cc1 ZINC001160063220 1381987456 /nfs/dbraw/zinc/98/74/56/1381987456.db2.gz XAZXMDMOOQXUFS-UHFFFAOYSA-N 2 0 328.435 3.173 20 0 EGADRP Fc1cccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1N1CC[NH2+]CC1 ZINC001160113786 1382000809 /nfs/dbraw/zinc/00/08/09/1382000809.db2.gz DSYIUIUHUJVWPE-QGZVFWFLSA-N 2 0 344.478 3.179 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160126041 1382005911 /nfs/dbraw/zinc/00/59/11/1382005911.db2.gz RVTJWVTXWJODAJ-SFHVURJKSA-N 2 0 349.563 3.435 20 0 EGADRP c1nn(C2CC[NH2+]CC2)cc1Nc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC001160257404 1382051663 /nfs/dbraw/zinc/05/16/63/1382051663.db2.gz ZRNBNFLGDPJWQF-KRWDZBQOSA-N 2 0 339.487 3.093 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001160369191 1382084616 /nfs/dbraw/zinc/08/46/16/1382084616.db2.gz UMRXOWGULMUGKI-HDICACEKSA-N 2 0 335.536 3.116 20 0 EGADRP c1cc2c(c(Nc3ccc(C[NH+]4CCCC4)cc3)c1)[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394651 1382092490 /nfs/dbraw/zinc/09/24/90/1382092490.db2.gz LPQOFZHHISQYKK-XLIONFOSSA-N 2 0 335.451 3.474 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001290680867 1382103659 /nfs/dbraw/zinc/10/36/59/1382103659.db2.gz JURHFWPUDOTMPS-KSZLIROESA-N 2 0 325.541 3.074 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499487 1382124208 /nfs/dbraw/zinc/12/42/08/1382124208.db2.gz DXYVLXXIUXZHBB-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccc2c(c1)nc(Cl)cc2N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160514409 1382127578 /nfs/dbraw/zinc/12/75/78/1382127578.db2.gz WLQSVFPAZGXXMK-SFHVURJKSA-N 2 0 330.863 3.032 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160580553 1382147365 /nfs/dbraw/zinc/14/73/65/1382147365.db2.gz QHKBREJGBJQBMB-UHFFFAOYSA-N 2 0 340.471 3.195 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2=CC[N@H+](CC3CC3)CC2)CCCCC1 ZINC001160787372 1382196334 /nfs/dbraw/zinc/19/63/34/1382196334.db2.gz LRWWJDGVLCECKU-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870273 1382220250 /nfs/dbraw/zinc/22/02/50/1382220250.db2.gz WVHDZNMQJLEWEX-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001160889342 1382225929 /nfs/dbraw/zinc/22/59/29/1382225929.db2.gz JIJDTJJRKMGHAD-OXJNMPFZSA-N 2 0 341.499 3.337 20 0 EGADRP Cc1ccc2nc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c(Cl)nc2c1 ZINC001160945518 1382247114 /nfs/dbraw/zinc/24/71/14/1382247114.db2.gz CRBURPYJBRGFQP-UHFFFAOYSA-N 2 0 337.814 3.432 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133166 1382313034 /nfs/dbraw/zinc/31/30/34/1382313034.db2.gz CQKNFCZJLLBDLA-LJQANCHMSA-N 2 0 337.552 3.147 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161395236 1382398020 /nfs/dbraw/zinc/39/80/20/1382398020.db2.gz BFPUHGIVSOHUMT-LEAZDLGRSA-N 2 0 345.531 3.357 20 0 EGADRP [NH3+]CCCCCCCC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424995 1382405098 /nfs/dbraw/zinc/40/50/98/1382405098.db2.gz QAORLIUJUMYZJS-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161427575 1382406880 /nfs/dbraw/zinc/40/68/80/1382406880.db2.gz CQAVSDREMLOYGO-UHFFFAOYSA-N 2 0 345.531 3.279 20 0 EGADRP C[NH+](C)CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161443454 1382412374 /nfs/dbraw/zinc/41/23/74/1382412374.db2.gz UUTMCLGMMNDFCA-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001161504536 1382424958 /nfs/dbraw/zinc/42/49/58/1382424958.db2.gz PCDDHOBJRPDPSU-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCCCCC2)CC1 ZINC001161755450 1382495563 /nfs/dbraw/zinc/49/55/63/1382495563.db2.gz YGNKDIXRFRSYTM-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161863692 1382534281 /nfs/dbraw/zinc/53/42/81/1382534281.db2.gz NXUUNVSHUANWEO-INIZCTEOSA-N 2 0 336.439 3.113 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001161924621 1382555034 /nfs/dbraw/zinc/55/50/34/1382555034.db2.gz GPOXUCHZTOPQIG-ROUUACIJSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161931410 1382558721 /nfs/dbraw/zinc/55/87/21/1382558721.db2.gz OOLBBSSJNUXDFY-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952951 1382569976 /nfs/dbraw/zinc/56/99/76/1382569976.db2.gz MEHRZUKPBHFYCK-PRPIBZDOSA-N 2 0 347.547 3.356 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](C(C)C)CC1)[NH+]1CCCCC1 ZINC001161953562 1382570018 /nfs/dbraw/zinc/57/00/18/1382570018.db2.gz VKUSDVVBOBRHRZ-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[PH+](CCNc1ccc(OC2CC[NH2+]CC2)nn1)C(C)C ZINC001162361830 1382740376 /nfs/dbraw/zinc/74/03/76/1382740376.db2.gz GYQUUPUPDTYEGN-UHFFFAOYSA-N 2 0 338.436 3.318 20 0 EGADRP CC(C)[NH+]1CCN(Cc2ccc(N[C@H]3CCC[C@H]([NH3+])C3)c(F)c2)CC1 ZINC001162404969 1382748835 /nfs/dbraw/zinc/74/88/35/1382748835.db2.gz RXKDZBCTFHANGR-ROUUACIJSA-N 2 0 348.510 3.034 20 0 EGADRP CC(C)[NH+]1CCN(Cc2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)c(F)c2)CC1 ZINC001162404967 1382748923 /nfs/dbraw/zinc/74/89/23/1382748923.db2.gz RXKDZBCTFHANGR-MSOLQXFVSA-N 2 0 348.510 3.034 20 0 EGADRP CC[C@@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+](CC)CC ZINC001162960081 1382928218 /nfs/dbraw/zinc/92/82/18/1382928218.db2.gz LWQKLFJRCFQWFQ-LJQANCHMSA-N 2 0 347.547 3.035 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163274641 1383010405 /nfs/dbraw/zinc/01/04/05/1383010405.db2.gz BBDCCEXMIJHEOP-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001163297772 1383014991 /nfs/dbraw/zinc/01/49/91/1383014991.db2.gz SKEGCHQCZISVGA-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(NCCc3cccc(O)c3)cc2)CC1 ZINC001163708665 1383110838 /nfs/dbraw/zinc/11/08/38/1383110838.db2.gz SBXUPQYCJAOXQI-UHFFFAOYSA-N 2 0 339.483 3.218 20 0 EGADRP C[NH+](C)Cc1cccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001163994895 1383144186 /nfs/dbraw/zinc/14/41/86/1383144186.db2.gz UAQAZVHFRFPYHO-UHFFFAOYSA-N 2 0 338.499 3.112 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(NCC3([NH+](C)C)CCN(C)CC3)cc21 ZINC001164216463 1383167055 /nfs/dbraw/zinc/16/70/55/1383167055.db2.gz CLOVFZAHKWMYGC-UHFFFAOYSA-N 2 0 342.531 3.126 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500674 1383193948 /nfs/dbraw/zinc/19/39/48/1383193948.db2.gz AVHAVCKIHXFLJG-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)CC[N@@H+]1C ZINC001164582720 1383201826 /nfs/dbraw/zinc/20/18/26/1383201826.db2.gz NYJHLBSCSYRASJ-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cnc(N(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c(C[NH3+])c1 ZINC001165182050 1383242953 /nfs/dbraw/zinc/24/29/53/1383242953.db2.gz LLBNSTHXXIYLCG-FXAWDEMLSA-N 2 0 338.499 3.196 20 0 EGADRP CC[NH+](CC)Cc1ccccc1Nc1ccc(O[C@H]2CC[NH2+]C2)nc1 ZINC001165213106 1383249535 /nfs/dbraw/zinc/24/95/35/1383249535.db2.gz GRDPZLVDMKAQPG-SFHVURJKSA-N 2 0 340.471 3.408 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001165244623 1383256644 /nfs/dbraw/zinc/25/66/44/1383256644.db2.gz TZJPBUKNVSKUEP-AZUAARDMSA-N 2 0 328.504 3.208 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001165485140 1383301561 /nfs/dbraw/zinc/30/15/61/1383301561.db2.gz NLLNFHYNGDJLIT-TVPLGVNVSA-N 2 0 349.563 3.029 20 0 EGADRP Cc1[nH+]c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc2[nH]ccc21 ZINC001165668426 1383321714 /nfs/dbraw/zinc/32/17/14/1383321714.db2.gz ANZKUIAFYLEILI-HNNXBMFYSA-N 2 0 342.487 3.387 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189419 1383400017 /nfs/dbraw/zinc/40/00/17/1383400017.db2.gz IJHQDHPDCJKXHZ-ARJAWSKDSA-N 2 0 340.471 3.180 20 0 EGADRP CC(C)C[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001166380833 1383417306 /nfs/dbraw/zinc/41/73/06/1383417306.db2.gz MXYAAMNQMMYJHM-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1)[NH+](CC)CC ZINC001166447084 1383423537 /nfs/dbraw/zinc/42/35/37/1383423537.db2.gz HHRSELIKAZYKIT-IEBWSBKVSA-N 2 0 333.520 3.272 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1)[NH+](CC)CC ZINC001166447705 1383423791 /nfs/dbraw/zinc/42/37/91/1383423791.db2.gz NQAWRCJQACNOCN-CRAIPNDOSA-N 2 0 337.483 3.103 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687200 1383460722 /nfs/dbraw/zinc/46/07/22/1383460722.db2.gz IMAUOPJWGHSTIA-QULHZPMSSA-N 2 0 341.515 3.041 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744361 1383469924 /nfs/dbraw/zinc/46/99/24/1383469924.db2.gz SGONZOAFXRGPPS-QGZVFWFLSA-N 2 0 333.520 3.130 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001166750987 1383471403 /nfs/dbraw/zinc/47/14/03/1383471403.db2.gz PAKUNFFPQTVILA-GOSISDBHSA-N 2 0 333.520 3.212 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]CCC(C)C)CC2)C1 ZINC001166787272 1383477431 /nfs/dbraw/zinc/47/74/31/1383477431.db2.gz KDJARTIEXJXYPQ-GOSISDBHSA-N 2 0 337.552 3.031 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001166864075 1383489503 /nfs/dbraw/zinc/48/95/03/1383489503.db2.gz YKLCOAOLEPTXGI-UHFFFAOYSA-N 2 0 347.503 3.021 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001166881642 1383493017 /nfs/dbraw/zinc/49/30/17/1383493017.db2.gz FKLQWOXMDJXEAR-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167180153 1383560307 /nfs/dbraw/zinc/56/03/07/1383560307.db2.gz VWXLKVONAHXSDS-LPADLIQXSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167224912 1383570265 /nfs/dbraw/zinc/57/02/65/1383570265.db2.gz NGMWTZMYPHAAIQ-XBMUEBEBSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466115 1383640558 /nfs/dbraw/zinc/64/05/58/1383640558.db2.gz BWIQQPVDDAQHGU-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[C@]1(C)CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167509434 1383654584 /nfs/dbraw/zinc/65/45/84/1383654584.db2.gz NCOYDBIFPVFUMG-TZIWHRDSSA-N 2 0 345.531 3.308 20 0 EGADRP CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167609089 1383688278 /nfs/dbraw/zinc/68/82/78/1383688278.db2.gz KVMVBHGYWIRKMC-GOSISDBHSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001167609137 1383688376 /nfs/dbraw/zinc/68/83/76/1383688376.db2.gz LMFMEBORDDIJNZ-GOSISDBHSA-N 2 0 335.536 3.237 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1)[NH+]1CCCCCC1 ZINC001167620922 1383690688 /nfs/dbraw/zinc/69/06/88/1383690688.db2.gz VKUKZNKSLHAKOT-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167626923 1383692468 /nfs/dbraw/zinc/69/24/68/1383692468.db2.gz HREHCEIXPNVUBR-HXUWFJFHSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)(C)OC(=O)C1(Nc2ccccc2C(C)(C)[NH3+])CCC([NH3+])CC1 ZINC001167643720 1383697342 /nfs/dbraw/zinc/69/73/42/1383697342.db2.gz NJUWMDWOUCWFKR-UHFFFAOYSA-N 2 0 347.503 3.274 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC1(C[NH2+]CCCF)CC1 ZINC001167705665 1383717819 /nfs/dbraw/zinc/71/78/19/1383717819.db2.gz OQWLSKRWTHVPGE-UHFFFAOYSA-N 2 0 343.531 3.124 20 0 EGADRP CCCC[NH+](CCCC)CCNc1cc(N2CCOCC2)cc[nH+]1 ZINC001167732778 1383724951 /nfs/dbraw/zinc/72/49/51/1383724951.db2.gz GGJYHPPLRHJEPI-UHFFFAOYSA-N 2 0 334.508 3.232 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001167784719 1383740667 /nfs/dbraw/zinc/74/06/67/1383740667.db2.gz YIGVXCAUEOFAJQ-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001167826960 1383750341 /nfs/dbraw/zinc/75/03/41/1383750341.db2.gz SJWCRDWQHPEJAZ-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCOC[C@H]2COC)CC1 ZINC001167828114 1383750878 /nfs/dbraw/zinc/75/08/78/1383750878.db2.gz WKOVIWGIJOXGAO-RBUKOAKNSA-N 2 0 340.552 3.262 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001167833781 1383752965 /nfs/dbraw/zinc/75/29/65/1383752965.db2.gz FBLJEXKNGFGWKQ-MJGOQNOKSA-N 2 0 343.515 3.227 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2cc(C)ncn2)CC1 ZINC001167833692 1383753219 /nfs/dbraw/zinc/75/32/19/1383753219.db2.gz DFPJHRMINWAEON-QGZVFWFLSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC001167835680 1383753942 /nfs/dbraw/zinc/75/39/42/1383753942.db2.gz SODPDRNRIVIOPV-KRWDZBQOSA-N 2 0 334.508 3.139 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCC[NH+]1CCSCC1 ZINC001167838931 1383755534 /nfs/dbraw/zinc/75/55/34/1383755534.db2.gz JOGYRUJEZNAHAH-UHFFFAOYSA-N 2 0 333.545 3.442 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916809 1383772763 /nfs/dbraw/zinc/77/27/63/1383772763.db2.gz RPOFRLLGNUQMMI-IBGZPJMESA-N 2 0 329.488 3.485 20 0 EGADRP Cc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)OCCO2 ZINC001167960513 1383779803 /nfs/dbraw/zinc/77/98/03/1383779803.db2.gz ZSJYKRFHSICHHH-YQQQUEKLSA-N 2 0 342.483 3.261 20 0 EGADRP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1O ZINC001167973407 1383782294 /nfs/dbraw/zinc/78/22/94/1383782294.db2.gz JPWIQCHICSJORN-AYHJJNSGSA-N 2 0 330.472 3.286 20 0 EGADRP NC(=[NH2+])N(c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167975670 1383784117 /nfs/dbraw/zinc/78/41/17/1383784117.db2.gz TXYXWJAXGAXNTN-SJPCQFCGSA-N 2 0 332.879 3.445 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)CC1 ZINC001167995393 1383792064 /nfs/dbraw/zinc/79/20/64/1383792064.db2.gz DFVLLMCTRFXIAJ-CBQGHPETSA-N 3 0 345.575 3.446 20 0 EGADRP CC(C)N1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1=O ZINC001168021561 1383798825 /nfs/dbraw/zinc/79/88/25/1383798825.db2.gz QGYPLBDJDRLWDZ-PIKOESSRSA-N 2 0 343.515 3.027 20 0 EGADRP COC(=O)C1CC(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168024253 1383799596 /nfs/dbraw/zinc/79/95/96/1383799596.db2.gz CVPWSZCPFMMLLQ-FDCMFXBMSA-N 2 0 344.499 3.217 20 0 EGADRP COC(=O)CCCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168034073 1383801458 /nfs/dbraw/zinc/80/14/58/1383801458.db2.gz OFSVMPVEEHQMPW-IRXDYDNUSA-N 2 0 332.488 3.361 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CCO[C@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC001168120344 1383821699 /nfs/dbraw/zinc/82/16/99/1383821699.db2.gz ZQLHINCTPQVSDU-SJORKVTESA-N 2 0 325.456 3.233 20 0 EGADRP CC1(Nc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC[NH2+]CC1 ZINC001168185759 1383838542 /nfs/dbraw/zinc/83/85/42/1383838542.db2.gz LSOMOODHGRYSTK-UHFFFAOYSA-N 2 0 326.488 3.360 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168290346 1383864267 /nfs/dbraw/zinc/86/42/67/1383864267.db2.gz DLMKAWLUTVRYQI-QZTJIDSGSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168290861 1383864967 /nfs/dbraw/zinc/86/49/67/1383864967.db2.gz LJOKMXFCAGSZSY-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CCc2ccccc2Br)CC1 ZINC001168294953 1383865746 /nfs/dbraw/zinc/86/57/46/1383865746.db2.gz KEHZPMVUVLYNMV-UHFFFAOYSA-N 2 0 325.294 3.454 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297253 1383866425 /nfs/dbraw/zinc/86/64/25/1383866425.db2.gz LLUHYQWXDPLXGM-PLNGDYQASA-N 2 0 349.563 3.485 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168314118 1383870829 /nfs/dbraw/zinc/87/08/29/1383870829.db2.gz KBCOSIZJJYHGMH-GTPINHCMSA-N 2 0 339.524 3.191 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001168326778 1383873165 /nfs/dbraw/zinc/87/31/65/1383873165.db2.gz JMSSLWWBBUDKSK-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP COc1ccccc1OC1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168327866 1383874382 /nfs/dbraw/zinc/87/43/82/1383874382.db2.gz RPQWZLJKSNOZFC-UHFFFAOYSA-N 2 0 332.488 3.411 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCCN(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001168329153 1383874622 /nfs/dbraw/zinc/87/46/22/1383874622.db2.gz NIMFVFYJZORENK-UHFFFAOYSA-N 2 0 339.524 3.192 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001168335475 1383875776 /nfs/dbraw/zinc/87/57/76/1383875776.db2.gz KDVWFLQMQGHGOM-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168335841 1383877058 /nfs/dbraw/zinc/87/70/58/1383877058.db2.gz WAUMLWCZLOAMBS-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])cn2C1CC[NH+](CC2CC2)CC1 ZINC001168351196 1383879933 /nfs/dbraw/zinc/87/99/33/1383879933.db2.gz LLUNNZGLQJTLMM-UHFFFAOYSA-N 2 0 327.472 3.198 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001168346249 1383880064 /nfs/dbraw/zinc/88/00/64/1383880064.db2.gz YRCWJSVYPJJWIQ-INIZCTEOSA-N 2 0 349.494 3.103 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC001168372144 1383887025 /nfs/dbraw/zinc/88/70/25/1383887025.db2.gz UVHNYRCTTRXHIJ-INIZCTEOSA-N 2 0 332.513 3.176 20 0 EGADRP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168393239 1383894099 /nfs/dbraw/zinc/89/40/99/1383894099.db2.gz ZKEXCVPKWLMVBI-WDSOQIARSA-N 2 0 348.531 3.303 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CC[NH+]1C1CCCC1 ZINC001306525648 1383894755 /nfs/dbraw/zinc/89/47/55/1383894755.db2.gz YVNBTBNZQLCOKI-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CCC1CCCC1 ZINC001168615305 1383949488 /nfs/dbraw/zinc/94/94/88/1383949488.db2.gz OCQMXRPEQUVCQV-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001168828518 1384022785 /nfs/dbraw/zinc/02/27/85/1384022785.db2.gz HLGDCQQXWPTIFH-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP [NH3+]CCN(c1ccc(SC2CC[NH2+]CC2)cc1)c1cccnc1 ZINC001168838812 1384028345 /nfs/dbraw/zinc/02/83/45/1384028345.db2.gz PDGXRNOZXAQSSL-UHFFFAOYSA-N 2 0 328.485 3.023 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CN1C(=O)OC(C)(C)C ZINC001168840315 1384029361 /nfs/dbraw/zinc/02/93/61/1384029361.db2.gz ULWVGCSHDIIKHV-IKGGRYGDSA-N 2 0 339.524 3.225 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)CC1 ZINC001308199480 1384108038 /nfs/dbraw/zinc/10/80/38/1384108038.db2.gz MQJAXURTFULFMC-KRWDZBQOSA-N 2 0 347.547 3.108 20 0 EGADRP C[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001308200104 1384108902 /nfs/dbraw/zinc/10/89/02/1384108902.db2.gz UAARTHVRPHRDED-OALUTQOASA-N 2 0 329.532 3.361 20 0 EGADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC001169117297 1384109341 /nfs/dbraw/zinc/10/93/41/1384109341.db2.gz XTTMXAXHTDXICE-VXIBKDFQSA-N 2 0 328.456 3.065 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(OCc3ccc(F)cc3)CC1)C2 ZINC001169139696 1384112269 /nfs/dbraw/zinc/11/22/69/1384112269.db2.gz DPBSPZMHSVWXGZ-REPLKXPHSA-N 2 0 332.463 3.432 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)CN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC001308248968 1384112721 /nfs/dbraw/zinc/11/27/21/1384112721.db2.gz OVIXHJJXYJKFNW-MOPGFXCFSA-N 2 0 345.575 3.388 20 0 EGADRP CC1(C)C[C@H](Nc2ccc(CN3CC[NH2+]CC3)cc2)C[C@@](C)(C[NH3+])C1 ZINC001169141155 1384112722 /nfs/dbraw/zinc/11/27/22/1384112722.db2.gz AOXVQBDOVAZBMC-PZJWPPBQSA-N 2 0 344.547 3.047 20 0 EGADRP COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141271 1384113083 /nfs/dbraw/zinc/11/30/83/1384113083.db2.gz PHGFWMXEQPTZBO-XMTFNYHQSA-N 2 0 330.472 3.164 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001169153647 1384115931 /nfs/dbraw/zinc/11/59/31/1384115931.db2.gz KQGAQHSRWXDOHR-TWGBQZSLSA-N 2 0 339.527 3.066 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(CCC[NH+]3Cc3ccccc3)C1)C2 ZINC001169156418 1384116871 /nfs/dbraw/zinc/11/68/71/1384116871.db2.gz XQPXHVVKWBOOOB-LRSLUSHPSA-N 2 0 339.527 3.352 20 0 EGADRP [NH3+]Cc1cccc2c1cnn2-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001169195796 1384121585 /nfs/dbraw/zinc/12/15/85/1384121585.db2.gz RAYZIIFFXKLOHR-UHFFFAOYSA-N 2 0 338.480 3.328 20 0 EGADRP CC[NH+]1CCC(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC001169261685 1384128682 /nfs/dbraw/zinc/12/86/82/1384128682.db2.gz LWSPTJKPTJEKGE-RXVVDRJESA-N 2 0 329.532 3.313 20 0 EGADRP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001308971199 1384163211 /nfs/dbraw/zinc/16/32/11/1384163211.db2.gz GARNERCIZXXOPK-IOJLRTSASA-N 2 0 348.918 3.430 20 0 EGADRP CC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169596664 1384163423 /nfs/dbraw/zinc/16/34/23/1384163423.db2.gz OJYUVOXGEIJOTF-ACRUOGEOSA-N 2 0 343.515 3.078 20 0 EGADRP CCOC(=O)c1cc2c(cc(C)[nH+]c2NC(C)(C)CC[NH+](C)C)n1C ZINC001169716739 1384177567 /nfs/dbraw/zinc/17/75/67/1384177567.db2.gz VOTADESWZBRTOK-UHFFFAOYSA-N 2 0 346.475 3.201 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169744988 1384181352 /nfs/dbraw/zinc/18/13/52/1384181352.db2.gz LIOYHWNFQVKXGF-FQEVSTJZSA-N 2 0 343.515 3.001 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001169798912 1384187439 /nfs/dbraw/zinc/18/74/39/1384187439.db2.gz SPKVIAZWCVFQCD-AZUAARDMSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169810592 1384188032 /nfs/dbraw/zinc/18/80/32/1384188032.db2.gz RGGZCCQOEDKTNB-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001169811830 1384188111 /nfs/dbraw/zinc/18/81/11/1384188111.db2.gz YDTMMYRBYAQFNH-AZUAARDMSA-N 2 0 345.531 3.162 20 0 EGADRP C([NH2+][C@@H]1CCCC2(C1)OCCO2)C1CC[NH+](CC2CCCC2)CC1 ZINC001169926647 1384199514 /nfs/dbraw/zinc/19/95/14/1384199514.db2.gz ZRVDVHXSUPCSNO-LJQANCHMSA-N 2 0 336.520 3.164 20 0 EGADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954464 1384203946 /nfs/dbraw/zinc/20/39/46/1384203946.db2.gz ATHSEHIHDZFEGU-WOJBJXKFSA-N 2 0 344.499 3.126 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001169958481 1384204357 /nfs/dbraw/zinc/20/43/57/1384204357.db2.gz MARQEOPBPOCQTP-INIZCTEOSA-N 2 0 349.494 3.103 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccccc1Cl ZINC001170282713 1384281538 /nfs/dbraw/zinc/28/15/38/1384281538.db2.gz KEBNBKZWXHFHRT-HNNXBMFYSA-N 2 0 340.895 3.088 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170506241 1384331301 /nfs/dbraw/zinc/33/13/01/1384331301.db2.gz VDZLHCYMFVEPOH-WOJBJXKFSA-N 2 0 344.499 3.220 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753158 1384379257 /nfs/dbraw/zinc/37/92/57/1384379257.db2.gz MUOGHNSQNUJLJA-GQUPQBGVSA-N 2 0 332.532 3.101 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170785733 1384385376 /nfs/dbraw/zinc/38/53/76/1384385376.db2.gz WAEIEUPHINXRIM-UCFODXPJSA-N 2 0 337.552 3.483 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CCCOCC3)CC2)c2ccccc2[nH+]1 ZINC001170809476 1384389223 /nfs/dbraw/zinc/38/92/23/1384389223.db2.gz SGDFQAQOOLNTRZ-KRWDZBQOSA-N 2 0 325.456 3.234 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820112 1384391673 /nfs/dbraw/zinc/39/16/73/1384391673.db2.gz WYPJDIHMXAFQRM-CFPAGDMOSA-N 2 0 349.563 3.339 20 0 EGADRP Brc1ccc2c(c1)C[C@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC001170843317 1384396937 /nfs/dbraw/zinc/39/69/37/1384396937.db2.gz AZOQGPVNQMEOCS-QGZVFWFLSA-N 2 0 337.305 3.382 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170855119 1384399845 /nfs/dbraw/zinc/39/98/45/1384399845.db2.gz WGZCQAGKAZFDKZ-IRXDYDNUSA-N 2 0 337.305 3.380 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170855120 1384399941 /nfs/dbraw/zinc/39/99/41/1384399941.db2.gz WGZCQAGKAZFDKZ-SJORKVTESA-N 2 0 337.305 3.380 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001171236130 1384476745 /nfs/dbraw/zinc/47/67/45/1384476745.db2.gz LHJXWNKAZKDINH-HKUYNNGSSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246031 1384477729 /nfs/dbraw/zinc/47/77/29/1384477729.db2.gz DIPAIGRRAQWKQO-SJLPKXTDSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C2CC2)[NH+](C)C)cc1 ZINC001171254540 1384480008 /nfs/dbraw/zinc/48/00/08/1384480008.db2.gz TYTGBRDXZSXMDE-XLIONFOSSA-N 2 0 345.531 3.100 20 0 EGADRP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC(C[NH+](C)C)CC1)CC2 ZINC001171321747 1384494551 /nfs/dbraw/zinc/49/45/51/1384494551.db2.gz OXGGYRXBXMMGKZ-OAHLLOKOSA-N 2 0 336.907 3.480 20 0 EGADRP Fc1cc(F)c2c(c1)C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171353437 1384499908 /nfs/dbraw/zinc/49/99/08/1384499908.db2.gz FYJAGGYGZJKVOE-KRWDZBQOSA-N 2 0 343.421 3.476 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001171509518 1384546578 /nfs/dbraw/zinc/54/65/78/1384546578.db2.gz RBDRKPUHGFHLAX-SJLPKXTDSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171546571 1384558633 /nfs/dbraw/zinc/55/86/33/1384558633.db2.gz LHOADPNECRRTNA-WMZOPIPTSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171586706 1384572806 /nfs/dbraw/zinc/57/28/06/1384572806.db2.gz RYCUOLRRBJLYOQ-MRXNPFEDSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171586704 1384573116 /nfs/dbraw/zinc/57/31/16/1384573116.db2.gz RYCUOLRRBJLYOQ-INIZCTEOSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)ccc2c[nH+]cn21 ZINC001171629596 1384585423 /nfs/dbraw/zinc/58/54/23/1384585423.db2.gz PUBYBDHIMFIZHP-UQYHUFHVSA-N 2 0 348.878 3.273 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC1(C)C ZINC001171639353 1384588782 /nfs/dbraw/zinc/58/87/82/1384588782.db2.gz HCCXZBMVWNKBKB-UHFFFAOYSA-N 2 0 341.543 3.456 20 0 EGADRP Cc1cnc(OC2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)nc1 ZINC001171640834 1384589482 /nfs/dbraw/zinc/58/94/82/1384589482.db2.gz JURAUBRWVWFNJJ-UHFFFAOYSA-N 2 0 346.519 3.280 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171646020 1384591052 /nfs/dbraw/zinc/59/10/52/1384591052.db2.gz HBJDTXVUWRBYLP-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171665792 1384595218 /nfs/dbraw/zinc/59/52/18/1384595218.db2.gz PYXSOLZVRDXCAI-KRWDZBQOSA-N 2 0 332.488 3.063 20 0 EGADRP C[C@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC001171730415 1384617069 /nfs/dbraw/zinc/61/70/69/1384617069.db2.gz YQMQOYZTDNCEFS-GOEBONIOSA-N 2 0 326.419 3.189 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171746932 1384624305 /nfs/dbraw/zinc/62/43/05/1384624305.db2.gz UVTQROYTMXWQSX-WIYYLYMNSA-N 2 0 327.516 3.210 20 0 EGADRP C[C@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC001171759032 1384626644 /nfs/dbraw/zinc/62/66/44/1384626644.db2.gz FTHFAFXTFZPLPT-ICSRJNTNSA-N 2 0 327.516 3.067 20 0 EGADRP C[C@H]1C[C@H](N2CCC3(CC2)CC[NH+](C)CC3)C[N@@H+]1Cc1ccccc1 ZINC001171760653 1384627648 /nfs/dbraw/zinc/62/76/48/1384627648.db2.gz YYCZKPOEDWODST-FPOVZHCZSA-N 2 0 341.543 3.457 20 0 EGADRP CC[NH+](CC)C1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171765815 1384629523 /nfs/dbraw/zinc/62/95/23/1384629523.db2.gz ZOMBYNNPJNZVQW-NQIIRXRSSA-N 2 0 329.532 3.456 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001329024515 1388933882 /nfs/dbraw/zinc/93/38/82/1388933882.db2.gz PHKGDCJJONCMAR-IIBYNOLFSA-N 2 0 341.474 3.343 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812462 1384647371 /nfs/dbraw/zinc/64/73/71/1384647371.db2.gz QSAKURSWODSZCW-INIZCTEOSA-N 2 0 342.487 3.403 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171877401 1384668633 /nfs/dbraw/zinc/66/86/33/1384668633.db2.gz OWCGPWVMIDNEDK-VAMGGRTRSA-N 2 0 343.515 3.144 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171923993 1384683940 /nfs/dbraw/zinc/68/39/40/1384683940.db2.gz LGLGVTYNPYUSJD-PKOBYXMFSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171924589 1384683966 /nfs/dbraw/zinc/68/39/66/1384683966.db2.gz PYHQOVJDQXDTBV-YLJYHZDGSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985978 1384703696 /nfs/dbraw/zinc/70/36/96/1384703696.db2.gz DWKMLODEDUQBTD-HBMCJLEFSA-N 2 0 341.543 3.456 20 0 EGADRP O=C1C[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1C1CC1 ZINC001172006308 1384709281 /nfs/dbraw/zinc/70/92/81/1384709281.db2.gz WCPUKOLDXPBWFG-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC[NH3+])CC12CCCCC2 ZINC001172056030 1384713631 /nfs/dbraw/zinc/71/36/31/1384713631.db2.gz BJHVSMPVDOVSJB-MRXNPFEDSA-N 2 0 339.524 3.417 20 0 EGADRP O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1F ZINC001172069745 1384717980 /nfs/dbraw/zinc/71/79/80/1384717980.db2.gz UIIOHVRDVKJDFD-FDKIHUSFSA-N 2 0 346.490 3.367 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC001172110674 1384730156 /nfs/dbraw/zinc/73/01/56/1384730156.db2.gz LHAXJYBMAFJIDA-OWZKRDHZSA-N 2 0 328.500 3.340 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC1)OC(=O)c1ccccc13)C2 ZINC001172123615 1384734800 /nfs/dbraw/zinc/73/48/00/1384734800.db2.gz HEJVAHLSCHLTNW-BJWYYQGGSA-N 2 0 340.467 3.163 20 0 EGADRP Cc1ccnc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172132409 1384737125 /nfs/dbraw/zinc/73/71/25/1384737125.db2.gz KTHVPVKMHZIDIJ-MANSERQUSA-N 2 0 329.488 3.249 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172161235 1384739792 /nfs/dbraw/zinc/73/97/92/1384739792.db2.gz UJJWUPCJNNAPGU-NXWXRZEISA-N 2 0 333.520 3.044 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172236178 1384753620 /nfs/dbraw/zinc/75/36/20/1384753620.db2.gz HJZDIJUCUGUHCR-VZHSDHNVSA-N 2 0 326.484 3.220 20 0 EGADRP COCCC[NH+]1CCC([NH2+]Cc2ccccc2-c2cccnc2)CC1 ZINC001172246830 1384754875 /nfs/dbraw/zinc/75/48/75/1384754875.db2.gz VXZCFZHSXLUUQS-UHFFFAOYSA-N 2 0 339.483 3.339 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001172246838 1384755086 /nfs/dbraw/zinc/75/50/86/1384755086.db2.gz WLKSCNAVSIHTPE-SFHVURJKSA-N 2 0 337.895 3.277 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCc2c(F)cccc2Cl)CC1 ZINC001172243355 1384755262 /nfs/dbraw/zinc/75/52/62/1384755262.db2.gz HMXAKYKPBWXRMQ-UHFFFAOYSA-N 2 0 328.859 3.112 20 0 EGADRP COCCC[NH+]1CCC(n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001172247026 1384755551 /nfs/dbraw/zinc/75/55/51/1384755551.db2.gz AOTVVWCSYHKFMY-INIZCTEOSA-N 2 0 341.499 3.131 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)COc2c(C)cccc2C)CC1 ZINC001172247757 1384755802 /nfs/dbraw/zinc/75/58/02/1384755802.db2.gz VDYZEMRUYAEEII-GOSISDBHSA-N 2 0 334.504 3.161 20 0 EGADRP COCCC[NH+]1CCC(n2cc(CC[NH3+])c3ccc(Cl)cc32)CC1 ZINC001172248459 1384755935 /nfs/dbraw/zinc/75/59/35/1384755935.db2.gz IWFNBSFZVVKKKY-UHFFFAOYSA-N 2 0 349.906 3.469 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001172247558 1384756123 /nfs/dbraw/zinc/75/61/23/1384756123.db2.gz MIHLUOJHNXFCIK-LJQANCHMSA-N 2 0 336.907 3.288 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172333009 1384772156 /nfs/dbraw/zinc/77/21/56/1384772156.db2.gz IZHFPSUAGWZITO-BRSBDYLESA-N 2 0 326.525 3.331 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CCC3CCCC3)C2)CCC1 ZINC001317036287 1384807055 /nfs/dbraw/zinc/80/70/55/1384807055.db2.gz CGEWFIODXFWBEU-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561336 1384811845 /nfs/dbraw/zinc/81/18/45/1384811845.db2.gz PYLVLMXRRKUOLZ-RTBURBONSA-N 2 0 332.488 3.140 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001172606723 1384817589 /nfs/dbraw/zinc/81/75/89/1384817589.db2.gz VGFXKWHJXLNUMW-MOPGFXCFSA-N 2 0 336.520 3.210 20 0 EGADRP CCCC[C@H]1C[C@@H]([NH2+]CCCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172639765 1384825044 /nfs/dbraw/zinc/82/50/44/1384825044.db2.gz MZGGMYNEFGTOCP-HOTGVXAUSA-N 2 0 327.513 3.273 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)cc[nH+]1 ZINC001172722825 1384837838 /nfs/dbraw/zinc/83/78/38/1384837838.db2.gz KDQLRNXQZYFZJR-LJQANCHMSA-N 2 0 327.859 3.333 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172722375 1384838077 /nfs/dbraw/zinc/83/80/77/1384838077.db2.gz UMMVBDHZSIGKQA-LJQANCHMSA-N 2 0 337.939 3.013 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001172800579 1384854637 /nfs/dbraw/zinc/85/46/37/1384854637.db2.gz YSROHFQBQVJRGW-NVXWUHKLSA-N 2 0 340.483 3.007 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)CC1 ZINC001172803824 1384855666 /nfs/dbraw/zinc/85/56/66/1384855666.db2.gz QZHVUJIRFZXMSP-IAGOWNOFSA-N 2 0 345.487 3.070 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172809952 1384857508 /nfs/dbraw/zinc/85/75/08/1384857508.db2.gz LUGICYDKMPSFNA-KLUKMEKLSA-N 2 0 349.519 3.155 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172829369 1384860490 /nfs/dbraw/zinc/86/04/90/1384860490.db2.gz AKFQSTLXCWOYAL-VXKWHMMOSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@@H](Cc1c(F)cccc1Cl)N(CCC[NH3+])CCC[NH+](C)C ZINC001172841928 1384864016 /nfs/dbraw/zinc/86/40/16/1384864016.db2.gz NPZLBSMMXFEVGC-AWEZNQCLSA-N 2 0 329.891 3.013 20 0 EGADRP CC(C)[NH+]1CCN(CC[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172856682 1384865952 /nfs/dbraw/zinc/86/59/52/1384865952.db2.gz MFZNMIFXFXIBOH-OAHLLOKOSA-N 2 0 341.902 3.026 20 0 EGADRP C[C@H](CSc1ccc(Cl)cc1)N(CC[NH+](C)C)CC[NH+](C)C ZINC001172876360 1384871098 /nfs/dbraw/zinc/87/10/98/1384871098.db2.gz AYFAOMZURUKOIO-OAHLLOKOSA-N 2 0 343.968 3.246 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001172942616 1384884675 /nfs/dbraw/zinc/88/46/75/1384884675.db2.gz AEPAYLSXPRMMHW-INIZCTEOSA-N 2 0 349.519 3.483 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001172960693 1384890642 /nfs/dbraw/zinc/89/06/42/1384890642.db2.gz XTKWULMUDWJKKW-BZUAXINKSA-N 2 0 327.513 3.094 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173049511 1384901550 /nfs/dbraw/zinc/90/15/50/1384901550.db2.gz UJNMEIJKNZMHGA-UHFFFAOYSA-N 2 0 329.488 3.251 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CCO)c2cccc(OC)c2)CC1 ZINC001173101325 1384914922 /nfs/dbraw/zinc/91/49/22/1384914922.db2.gz GFXDBRMEKCUHHX-QLOJAFMTSA-N 2 0 334.504 3.361 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CO)Cc2ccc(Cl)cc2)CC1 ZINC001173103726 1384915604 /nfs/dbraw/zinc/91/56/04/1384915604.db2.gz QENAJFCCFZUDBE-JLAWEPINSA-N 2 0 338.923 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccnc(-c3cnn(C)c3)c2)CC1 ZINC001173104641 1384915813 /nfs/dbraw/zinc/91/58/13/1384915813.db2.gz SWBDOXFTDYQBBU-UHFFFAOYSA-N 2 0 341.503 3.225 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001173108329 1384916259 /nfs/dbraw/zinc/91/62/59/1384916259.db2.gz BQPDLGIBDIKPHO-SLTXQBBLSA-N 2 0 336.442 3.275 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC[C@H]2COc3ccccc3O2)CC1 ZINC001173110417 1384916735 /nfs/dbraw/zinc/91/67/35/1384916735.db2.gz OBOCCKIBDHLFOE-ABHNRTSZSA-N 2 0 332.488 3.459 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COC)C2)CC1 ZINC001173109458 1384917199 /nfs/dbraw/zinc/91/71/99/1384917199.db2.gz BNUGIINFKUWONV-NTFDOXNWSA-N 2 0 338.536 3.157 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)c2cc(F)ccc2F)CC1 ZINC001173111028 1384917290 /nfs/dbraw/zinc/91/72/90/1384917290.db2.gz XDLFTRGEIWYJRH-JTTJXQCZSA-N 2 0 326.431 3.241 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCN(c3cccnc3)CC2)CC1 ZINC001173113914 1384917902 /nfs/dbraw/zinc/91/79/02/1384917902.db2.gz OUOLDHOOGOFVGN-UHFFFAOYSA-N 2 0 330.520 3.247 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)CO2 ZINC001173149717 1384924799 /nfs/dbraw/zinc/92/47/99/1384924799.db2.gz HJMMAYKMFFPGEM-INIZCTEOSA-N 2 0 332.488 3.099 20 0 EGADRP COc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](CC3CCC3)CC1)CO2 ZINC001173150769 1384925618 /nfs/dbraw/zinc/92/56/18/1384925618.db2.gz OVBIFYPOEQUGCO-GOSISDBHSA-N 2 0 344.499 3.100 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317170743 1384937173 /nfs/dbraw/zinc/93/71/73/1384937173.db2.gz GXNRMBUPASNECW-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC001173269777 1384948021 /nfs/dbraw/zinc/94/80/21/1384948021.db2.gz XTORMEUTZNNEOR-CWJKEVGVSA-N 2 0 333.564 3.494 20 0 EGADRP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279968 1384950818 /nfs/dbraw/zinc/95/08/18/1384950818.db2.gz NHKBDMNUWNSRJT-AYWYSENESA-N 2 0 343.515 3.183 20 0 EGADRP CC[C@H]1CC[C@@H]([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001173281358 1384951100 /nfs/dbraw/zinc/95/11/00/1384951100.db2.gz XXVZOLOGNRWYLX-ZWKOTPCHSA-N 2 0 330.520 3.306 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001173363239 1384964390 /nfs/dbraw/zinc/96/43/90/1384964390.db2.gz JYYJMIJYIAKRJA-QGZVFWFLSA-N 2 0 333.545 3.130 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC3(CC[C@@H]3[NH+](C)Cc3ccco3)CC2)C1 ZINC001173364967 1384964596 /nfs/dbraw/zinc/96/45/96/1384964596.db2.gz WBAZZDXVFNHDKL-MJGOQNOKSA-N 2 0 331.504 3.050 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C[C@@H]2CCCC[NH+]2Cc2ccc(OC)cc2)C1 ZINC001173367247 1384965234 /nfs/dbraw/zinc/96/52/34/1384965234.db2.gz FJALPGIGYMDNEG-UXHICEINSA-N 2 0 345.531 3.076 20 0 EGADRP C[N@H+](C1CCC([NH3+])CC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173412201 1384968210 /nfs/dbraw/zinc/96/82/10/1384968210.db2.gz LPCXTPHELOFPQX-UHFFFAOYSA-N 2 0 349.906 3.146 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](C3Cc4cc(F)c(F)cc4C3)CC2)CC1 ZINC001173481904 1384978823 /nfs/dbraw/zinc/97/88/23/1384978823.db2.gz ACKSWDHSMZITHV-UHFFFAOYSA-N 2 0 334.454 3.486 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001173649825 1384995974 /nfs/dbraw/zinc/99/59/74/1384995974.db2.gz IDBIFWIVZXOTSV-IEBWSBKVSA-N 2 0 336.520 3.353 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001173658603 1384998460 /nfs/dbraw/zinc/99/84/60/1384998460.db2.gz RATSEGCDADJLDP-MAUKXSAKSA-N 2 0 340.483 3.007 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001317221168 1385001428 /nfs/dbraw/zinc/00/14/28/1385001428.db2.gz YGOYLEVLMVGZQS-KKXNLOMOSA-N 2 0 345.531 3.497 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H](CCC[NH3+])C2)cc1 ZINC001173719914 1385008445 /nfs/dbraw/zinc/00/84/45/1385008445.db2.gz JJFZGEIISHHJQW-WMZOPIPTSA-N 2 0 332.488 3.245 20 0 EGADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1ccccc1Cl ZINC001317258345 1385028569 /nfs/dbraw/zinc/02/85/69/1385028569.db2.gz JBKQYVGSILUATP-GJZGRUSLSA-N 2 0 349.906 3.124 20 0 EGADRP Cc1cc(Nc2cc(F)ccc2OCC2CC[NH+](C)CC2)cc[nH+]1 ZINC001174657494 1385131097 /nfs/dbraw/zinc/13/10/97/1385131097.db2.gz GXMKVXXDKUYICD-UHFFFAOYSA-N 2 0 329.419 3.415 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)cc1C ZINC001174960712 1385174756 /nfs/dbraw/zinc/17/47/56/1385174756.db2.gz IFFPIRJBJWLFKJ-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317482738 1385179507 /nfs/dbraw/zinc/17/95/07/1385179507.db2.gz WTMXVSHFDDADJO-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP Cc1cccc(CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175049330 1385186581 /nfs/dbraw/zinc/18/65/81/1385186581.db2.gz TUIMPOXNCPYNIZ-LJQANCHMSA-N 2 0 347.547 3.144 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CCC1CCCC1 ZINC001317489572 1385189610 /nfs/dbraw/zinc/18/96/10/1385189610.db2.gz LKRSOMKLUHFVSE-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257182 1385232061 /nfs/dbraw/zinc/23/20/61/1385232061.db2.gz WCUAOUSCFQENIN-ZWKOTPCHSA-N 2 0 335.536 3.236 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001175262368 1385233401 /nfs/dbraw/zinc/23/34/01/1385233401.db2.gz FPNUBOCHTDXWNA-RTBURBONSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001175262367 1385233662 /nfs/dbraw/zinc/23/36/62/1385233662.db2.gz FPNUBOCHTDXWNA-RBUKOAKNSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001175315548 1385250280 /nfs/dbraw/zinc/25/02/80/1385250280.db2.gz GKCXUKMLLCZTDU-FGRRAICKSA-N 2 0 345.531 3.305 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175318323 1385251364 /nfs/dbraw/zinc/25/13/64/1385251364.db2.gz YJPJYDWLQVNFDI-WBNOOXNUSA-N 2 0 325.541 3.338 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175318325 1385251962 /nfs/dbraw/zinc/25/19/62/1385251962.db2.gz YJPJYDWLQVNFDI-XRZRDHLVSA-N 2 0 325.541 3.338 20 0 EGADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@@H](O)Cc2ccccc2)CC1 ZINC001175352698 1385263470 /nfs/dbraw/zinc/26/34/70/1385263470.db2.gz QQLMDZGZVNOOJJ-RTWAWAEBSA-N 2 0 330.516 3.176 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001317539959 1385275653 /nfs/dbraw/zinc/27/56/53/1385275653.db2.gz CILDJDNYECCCIC-LJQANCHMSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175564682 1385333226 /nfs/dbraw/zinc/33/32/26/1385333226.db2.gz DHQQBJNDOKNSMJ-YVKRRXEKSA-N 2 0 343.943 3.268 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175564728 1385333653 /nfs/dbraw/zinc/33/36/53/1385333653.db2.gz DOWZYDRQIIAMCV-OALUTQOASA-N 2 0 337.552 3.482 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581476 1385338829 /nfs/dbraw/zinc/33/88/29/1385338829.db2.gz MOHPDMJWPUUGIT-SFHVURJKSA-N 2 0 345.531 3.183 20 0 EGADRP C[NH+]1CCC(COc2c(F)cccc2NC2=CCC[N@H+](C)C2)CC1 ZINC001175582904 1385339915 /nfs/dbraw/zinc/33/99/15/1385339915.db2.gz PEINVUUTKNUXCA-UHFFFAOYSA-N 2 0 333.451 3.178 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC)c1 ZINC001175769276 1385399479 /nfs/dbraw/zinc/39/94/79/1385399479.db2.gz PMJJZGQEGWKYMZ-SFHVURJKSA-N 2 0 347.547 3.355 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(Nc2cc[nH+]c(C3CCC3)c2)cc1 ZINC001175808744 1385410997 /nfs/dbraw/zinc/41/09/97/1385410997.db2.gz YBNNJJYMZUKCNN-UHFFFAOYSA-N 2 0 338.455 3.384 20 0 EGADRP C[C@@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001176230907 1385520999 /nfs/dbraw/zinc/52/09/99/1385520999.db2.gz ORSRGTPMDJGSEO-IBGZPJMESA-N 2 0 347.547 3.226 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccc3c(c2)C[N@@H+](C)CC3)cc1 ZINC001176231023 1385521422 /nfs/dbraw/zinc/52/14/22/1385521422.db2.gz GQQPIXGRIAXZLY-UHFFFAOYSA-N 2 0 325.456 3.359 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176256322 1385529538 /nfs/dbraw/zinc/52/95/38/1385529538.db2.gz BBJPAGFJVABSLJ-LJQANCHMSA-N 2 0 347.547 3.492 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001176564846 1385626728 /nfs/dbraw/zinc/62/67/28/1385626728.db2.gz RXVPNTYBYPXQDK-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001176627093 1385643533 /nfs/dbraw/zinc/64/35/33/1385643533.db2.gz FBRYKZXIKLDMEM-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176736817 1385676356 /nfs/dbraw/zinc/67/63/56/1385676356.db2.gz FNOQNJRWXKULQK-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176759580 1385686614 /nfs/dbraw/zinc/68/66/14/1385686614.db2.gz KSQGICANJSBANN-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)CCCC[NH2+]C(C)C)o1 ZINC001176805275 1385707812 /nfs/dbraw/zinc/70/78/12/1385707812.db2.gz BGDUMGJVVFXPDV-MRXNPFEDSA-N 2 0 337.508 3.408 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)o1 ZINC001176805274 1385708090 /nfs/dbraw/zinc/70/80/90/1385708090.db2.gz BGDUMGJVVFXPDV-INIZCTEOSA-N 2 0 337.508 3.408 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176816041 1385712216 /nfs/dbraw/zinc/71/22/16/1385712216.db2.gz WHSTVHRJYNDBQZ-MSOLQXFVSA-N 2 0 343.531 3.265 20 0 EGADRP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CCC1CCCC1 ZINC001318540608 1385743849 /nfs/dbraw/zinc/74/38/49/1385743849.db2.gz KPOGETMWMXVFDC-QGZVFWFLSA-N 2 0 342.487 3.321 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948207 1385751611 /nfs/dbraw/zinc/75/16/11/1385751611.db2.gz KJJKPZZDMDBIEF-VOTSOKGWSA-N 2 0 331.504 3.204 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001176996773 1385768624 /nfs/dbraw/zinc/76/86/24/1385768624.db2.gz CPINEKYWOXLUQD-UYAOXDASSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCCC1CCCC1)[NH+]1CCCC1 ZINC001176998990 1385768922 /nfs/dbraw/zinc/76/89/22/1385768922.db2.gz OVBJCLINCOKFAS-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997611 1385769114 /nfs/dbraw/zinc/76/91/14/1385769114.db2.gz UARHXDIUPCUBOT-MOPGFXCFSA-N 2 0 339.568 3.275 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001176998972 1385769205 /nfs/dbraw/zinc/76/92/05/1385769205.db2.gz OCTITKYXMVKNOX-QUCCMNQESA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001177357043 1385928425 /nfs/dbraw/zinc/92/84/25/1385928425.db2.gz UARBPSPJQFZGNV-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001177467255 1385967337 /nfs/dbraw/zinc/96/73/37/1385967337.db2.gz YIRGJBWTJWIXNH-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC1([NH2+]CC(C)C)CCCC1)c1ccccc1 ZINC001319386286 1386096107 /nfs/dbraw/zinc/09/61/07/1386096107.db2.gz XKVXAFZXZLKRTP-IBGZPJMESA-N 2 0 345.531 3.354 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCCC2)c1 ZINC001319389866 1386099194 /nfs/dbraw/zinc/09/91/94/1386099194.db2.gz SHMLBXVEXCKXOC-HKUYNNGSSA-N 2 0 343.515 3.026 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045028 1386114961 /nfs/dbraw/zinc/11/49/61/1386114961.db2.gz ARBPUMQRFCGRCD-QUCCMNQESA-N 2 0 345.531 3.416 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001178045229 1386115138 /nfs/dbraw/zinc/11/51/38/1386115138.db2.gz GVPOZYYYXCSZRG-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001178045141 1386115179 /nfs/dbraw/zinc/11/51/79/1386115179.db2.gz DUPDLOVCVUHZOI-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001178045636 1386115958 /nfs/dbraw/zinc/11/59/58/1386115958.db2.gz QLSYBJSEIGQTDA-UXHICEINSA-N 2 0 345.531 3.498 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1=CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001178502052 1386237258 /nfs/dbraw/zinc/23/72/58/1386237258.db2.gz HLZKGQZEKDMQNE-FQEVSTJZSA-N 2 0 347.547 3.095 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178687997 1386277712 /nfs/dbraw/zinc/27/77/12/1386277712.db2.gz BJNHKOMKTLAMHW-RBUKOAKNSA-N 2 0 339.568 3.277 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001178689030 1386278529 /nfs/dbraw/zinc/27/85/29/1386278529.db2.gz MROJRHUOHJSQLI-BZSNNMDCSA-N 2 0 337.552 3.265 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808702 1386313114 /nfs/dbraw/zinc/31/31/14/1386313114.db2.gz QYXWZIROLVSNPD-ARJAWSKDSA-N 2 0 349.563 3.485 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001178810575 1386313995 /nfs/dbraw/zinc/31/39/95/1386313995.db2.gz HBJQTYGFBNZERR-VQTJNVASSA-N 2 0 349.563 3.460 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178828702 1386320281 /nfs/dbraw/zinc/32/02/81/1386320281.db2.gz YCYLOQMWAJJQDV-VOFKWLDRSA-N 2 0 337.552 3.483 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878704 1386336230 /nfs/dbraw/zinc/33/62/30/1386336230.db2.gz XBMYLLTZKKKTIV-HBCQFFLPSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178921042 1386350077 /nfs/dbraw/zinc/35/00/77/1386350077.db2.gz SPVZVVOEMFQHME-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178926208 1386350846 /nfs/dbraw/zinc/35/08/46/1386350846.db2.gz SFWGQEFOMQJQDU-KSZLIROESA-N 2 0 337.552 3.266 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001178947201 1386357915 /nfs/dbraw/zinc/35/79/15/1386357915.db2.gz JRIHBAQVCTUMCH-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179026360 1386381196 /nfs/dbraw/zinc/38/11/96/1386381196.db2.gz XSRNDJBPGCDEON-UHFFFAOYSA-N 2 0 330.476 3.260 20 0 EGADRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001319918578 1386391034 /nfs/dbraw/zinc/39/10/34/1386391034.db2.gz QHXKTPIFAJIREX-QAPCUYQASA-N 2 0 349.494 3.101 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179233839 1386427692 /nfs/dbraw/zinc/42/76/92/1386427692.db2.gz DBNYQIUUMGWGAX-FNYRVFDFSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC=C(C)C)C1 ZINC001179358016 1386462514 /nfs/dbraw/zinc/46/25/14/1386462514.db2.gz QLEGPZODZYBJRN-IBGZPJMESA-N 2 0 337.552 3.341 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccccc2)CC[N@@H+]1C ZINC001179378573 1386467480 /nfs/dbraw/zinc/46/74/80/1386467480.db2.gz KKYJLHWKBODTBF-ICSRJNTNSA-N 2 0 345.531 3.183 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001320059354 1386480795 /nfs/dbraw/zinc/48/07/95/1386480795.db2.gz RSLGKKINDUDGND-LJQANCHMSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@@H](C(=O)N(C)CC[N@H+](C)CC1CCCCC1)[NH+]1CCCCCC1 ZINC001320059976 1386481861 /nfs/dbraw/zinc/48/18/61/1386481861.db2.gz VWJYCGSHTDBWKA-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1cc2ccccc2o1 ZINC001179461681 1386487948 /nfs/dbraw/zinc/48/79/48/1386487948.db2.gz WTCBQPCLWMAZEX-UHFFFAOYSA-N 2 0 345.487 3.151 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C)C1 ZINC001179464368 1386488760 /nfs/dbraw/zinc/48/87/60/1386488760.db2.gz SKVKBAKFHABISR-OALUTQOASA-N 2 0 339.568 3.421 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C)[NH+](CC)CC ZINC001179517307 1386503943 /nfs/dbraw/zinc/50/39/43/1386503943.db2.gz PEZWHSQDEMIXGZ-WDSOQIARSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001320091623 1386506926 /nfs/dbraw/zinc/50/69/26/1386506926.db2.gz XUNWGDLZHQXCMV-SFHVURJKSA-N 2 0 331.504 3.014 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001179539112 1386510310 /nfs/dbraw/zinc/51/03/10/1386510310.db2.gz OXCJBTHGHTZZMX-PXNSSMCTSA-N 2 0 345.531 3.174 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC=C(C)C)[NH+](CC)CC ZINC001179564598 1386515866 /nfs/dbraw/zinc/51/58/66/1386515866.db2.gz FXMQMWUJOZUFJM-SFHVURJKSA-N 2 0 325.541 3.339 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)[NH+](CC)CC ZINC001179565214 1386516214 /nfs/dbraw/zinc/51/62/14/1386516214.db2.gz NBHXWEYQIQUZPW-DLBZAZTESA-N 2 0 331.520 3.121 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580672 1386522024 /nfs/dbraw/zinc/52/20/24/1386522024.db2.gz LXRJHBHQEHVWTB-IBGZPJMESA-N 2 0 345.531 3.246 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001179609286 1386530292 /nfs/dbraw/zinc/53/02/92/1386530292.db2.gz MUCXYHUSYHIIMK-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001179719332 1386564639 /nfs/dbraw/zinc/56/46/39/1386564639.db2.gz BHYLWJCQDCYCBM-LPHOPBHVSA-N 2 0 331.504 3.131 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)C)[C@@H]1C ZINC001179748863 1386570741 /nfs/dbraw/zinc/57/07/41/1386570741.db2.gz MWKKMZOHESQFLW-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001179825288 1386598062 /nfs/dbraw/zinc/59/80/62/1386598062.db2.gz IYATZXMBHIVSKK-LGYYHMKYSA-N 2 0 349.563 3.432 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C)c1ccccc1 ZINC001179852701 1386607637 /nfs/dbraw/zinc/60/76/37/1386607637.db2.gz YZNXYJQIGXBBQY-UHOSZYNNSA-N 2 0 331.504 3.059 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001179850837 1386607653 /nfs/dbraw/zinc/60/76/53/1386607653.db2.gz NRFUONMGHSGNJH-GOSISDBHSA-N 2 0 327.557 3.277 20 0 EGADRP CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967712 1386651911 /nfs/dbraw/zinc/65/19/11/1386651911.db2.gz IEUDCYFUUKUOQP-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]1C ZINC001179976201 1386655447 /nfs/dbraw/zinc/65/54/47/1386655447.db2.gz JPJUKMMAOJCVTF-QYLKWSRPSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001180035749 1386676075 /nfs/dbraw/zinc/67/60/75/1386676075.db2.gz QNYBFFXCKQBBKZ-UHFFFAOYSA-N 2 0 349.563 3.341 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCCCCCC[NH2+]CC1CC1)c1ccccc1 ZINC001180039511 1386677010 /nfs/dbraw/zinc/67/70/10/1386677010.db2.gz AKLPVRPMVZEQLG-OAQYLSRUSA-N 2 0 345.531 3.140 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001180039615 1386677067 /nfs/dbraw/zinc/67/70/67/1386677067.db2.gz DRCMQUAFDMZLTF-HXUWFJFHSA-N 2 0 333.520 3.138 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001180064920 1386685445 /nfs/dbraw/zinc/68/54/45/1386685445.db2.gz ABPWTDJYPZOCFO-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C1 ZINC001180065413 1386685487 /nfs/dbraw/zinc/68/54/87/1386685487.db2.gz QNCKEJHALCVWMF-VESHTZQJSA-N 2 0 343.943 3.126 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCC ZINC001180123564 1386703838 /nfs/dbraw/zinc/70/38/38/1386703838.db2.gz HNMQKLFXKUIGSS-FPLPWBNLSA-N 2 0 325.541 3.341 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180204628 1386732135 /nfs/dbraw/zinc/73/21/35/1386732135.db2.gz WFPDDVMBXTUMCV-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)NCCCCCCC[NH+]2CCCC2)ccc2c[nH+]cn21 ZINC001320839777 1386734440 /nfs/dbraw/zinc/73/44/40/1386734440.db2.gz NRWWQQDZRBQDOO-UHFFFAOYSA-N 2 0 342.487 3.419 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C)c1ccc(F)cc1 ZINC001180226722 1386738493 /nfs/dbraw/zinc/73/84/93/1386738493.db2.gz ITORDWDKCKXIQK-SNRMKQJTSA-N 2 0 349.494 3.196 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001180264821 1386750287 /nfs/dbraw/zinc/75/02/87/1386750287.db2.gz LJVWOZNCFBMCSG-ICSRJNTNSA-N 2 0 345.531 3.274 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274737 1386752338 /nfs/dbraw/zinc/75/23/38/1386752338.db2.gz UDSSZHAVQNSBAL-LJQANCHMSA-N 2 0 345.531 3.418 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180351401 1386771980 /nfs/dbraw/zinc/77/19/80/1386771980.db2.gz BEMQLMLBPRDFKW-RTBURBONSA-N 2 0 345.531 3.326 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180372655 1386777772 /nfs/dbraw/zinc/77/77/72/1386777772.db2.gz GAIQHOXGGTWWMI-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP C[N@H+](CC(=O)NCC1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC001180629910 1386853171 /nfs/dbraw/zinc/85/31/71/1386853171.db2.gz DTSUMPBONWMFSX-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@]1(C)C[NH2+]CC1=CCCCC1 ZINC001181736834 1387048318 /nfs/dbraw/zinc/04/83/18/1387048318.db2.gz ZPIMCZQSIXRHME-DYESRHJHSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001182401062 1387160555 /nfs/dbraw/zinc/16/05/55/1387160555.db2.gz DYDDTXOOMLFMIS-OXQOHEQNSA-N 2 0 349.519 3.219 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001182614745 1387196998 /nfs/dbraw/zinc/19/69/98/1387196998.db2.gz PJEFILXSYYODOO-LVCYWYKZSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623064 1387198332 /nfs/dbraw/zinc/19/83/32/1387198332.db2.gz AEIOBPOGOFEYJI-MBOZVWFJSA-N 2 0 339.568 3.085 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)C1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001329244075 1389034036 /nfs/dbraw/zinc/03/40/36/1389034036.db2.gz RBPWRKQMAVKSEN-UHFFFAOYSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001329334851 1389065407 /nfs/dbraw/zinc/06/54/07/1389065407.db2.gz FCZYZUOZIPZRQW-GOSISDBHSA-N 2 0 337.552 3.147 20 0 EGADRP CCOc1c(OC)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC ZINC001329434969 1389110380 /nfs/dbraw/zinc/11/03/80/1389110380.db2.gz ZRSMMTDBUGMWTN-UHFFFAOYSA-N 2 0 348.487 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2CC)CC1 ZINC001698715846 1406359076 /nfs/dbraw/zinc/35/90/76/1406359076.db2.gz AOTRIJHRMBCCRO-MXVIHJGJSA-N 2 0 345.531 3.108 20 0 EGADRP C[N@H+](CCCC1CCC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001331054825 1389613213 /nfs/dbraw/zinc/61/32/13/1389613213.db2.gz VYNGVUNXJRIWBM-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001331069553 1389618935 /nfs/dbraw/zinc/61/89/35/1389618935.db2.gz YXVYLZVJAWJBTQ-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001331291400 1389688639 /nfs/dbraw/zinc/68/86/39/1389688639.db2.gz WRYNXOZBKYEDNW-JXFKEZNVSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2C)cs1 ZINC001332183539 1390026949 /nfs/dbraw/zinc/02/69/49/1390026949.db2.gz DDGJMBJRCNZUDA-NVXWUHKLSA-N 2 0 349.544 3.010 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2nccnc2C[NH3+])C1 ZINC001339535032 1390058298 /nfs/dbraw/zinc/05/82/98/1390058298.db2.gz DSSMPOVZRVPCNE-HZPDHXFCSA-N 2 0 339.487 3.025 20 0 EGADRP Cn1cc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001332387830 1390103020 /nfs/dbraw/zinc/10/30/20/1390103020.db2.gz TXBIOGSJIUUQDD-SEJPIABJSA-N 2 0 338.499 3.138 20 0 EGADRP COC(=O)c1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC001339689823 1390107507 /nfs/dbraw/zinc/10/75/07/1390107507.db2.gz VCJLZPRSUWCRDW-UHFFFAOYSA-N 2 0 326.440 3.085 20 0 EGADRP CC(C)(C)[C@H](C[NH2+]CC1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001332811694 1390192508 /nfs/dbraw/zinc/19/25/08/1390192508.db2.gz WDUGFQXVXIHSHT-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)cc1C ZINC001332844080 1390199693 /nfs/dbraw/zinc/19/96/93/1390199693.db2.gz QMXMKKOGXWIMGD-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCSCCC[NH3+])cc1 ZINC001340153498 1390238087 /nfs/dbraw/zinc/23/80/87/1390238087.db2.gz BWNZQZXHJBFXIX-MRXNPFEDSA-N 2 0 349.544 3.472 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC001333322704 1390283490 /nfs/dbraw/zinc/28/34/90/1390283490.db2.gz ZDXNAUCCCROVJU-UHFFFAOYSA-N 2 0 338.499 3.299 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001333839649 1390419873 /nfs/dbraw/zinc/41/98/73/1390419873.db2.gz AAFWEIUVXCINPC-FUHIMQAGSA-N 2 0 342.462 3.174 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)cc(OC)c1 ZINC001341568516 1390503484 /nfs/dbraw/zinc/50/34/84/1390503484.db2.gz ZAGQQNSTFZIILA-QGZVFWFLSA-N 2 0 341.455 3.484 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001342063167 1390566948 /nfs/dbraw/zinc/56/69/48/1390566948.db2.gz MBFKESAJRGLIJP-JENIJYKNSA-N 2 0 335.536 3.020 20 0 EGADRP Cn1cc(C[N@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c(C2CCCC2)n1 ZINC001335582975 1390706115 /nfs/dbraw/zinc/70/61/15/1390706115.db2.gz OSCQVYGUPLGVOJ-ZIFCJYIRSA-N 2 0 330.520 3.240 20 0 EGADRP CSC[C@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001344032103 1390751505 /nfs/dbraw/zinc/75/15/05/1390751505.db2.gz OZTBOUMSFHZOQM-UMQXSMKFSA-N 2 0 348.556 3.276 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC001345105268 1390837654 /nfs/dbraw/zinc/83/76/54/1390837654.db2.gz RLRIAYBGLNYVHY-MRXNPFEDSA-N 2 0 335.455 3.022 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@@H]2C1 ZINC001345159527 1390842171 /nfs/dbraw/zinc/84/21/71/1390842171.db2.gz JTBIXXGENBUTJV-RVKKMQEKSA-N 2 0 344.503 3.074 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCC1)c1ccccc1 ZINC001698805504 1406486152 /nfs/dbraw/zinc/48/61/52/1406486152.db2.gz GLFPIKIKWOGXGP-LJQANCHMSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC001698848841 1406551078 /nfs/dbraw/zinc/55/10/78/1406551078.db2.gz QWIOQMQICVRDNO-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479835315 1392421152 /nfs/dbraw/zinc/42/11/52/1392421152.db2.gz VQLWBUQJBJMLRZ-YLJYHZDGSA-N 2 0 345.531 3.377 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001698860891 1406570732 /nfs/dbraw/zinc/57/07/32/1406570732.db2.gz QKWOXQDZXROLLH-OALUTQOASA-N 2 0 345.531 3.450 20 0 EGADRP CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001479995916 1392527317 /nfs/dbraw/zinc/52/73/17/1392527317.db2.gz XKNQJVPPICOATK-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001698861264 1406571581 /nfs/dbraw/zinc/57/15/81/1406571581.db2.gz OBVDMUQUJSKQCH-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001480304278 1392668223 /nfs/dbraw/zinc/66/82/23/1392668223.db2.gz WVWHEBZXOAPVJW-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001480526467 1392779479 /nfs/dbraw/zinc/77/94/79/1392779479.db2.gz JTVVWWZLXOFZEZ-DLBZAZTESA-N 2 0 347.547 3.481 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001480560592 1392792420 /nfs/dbraw/zinc/79/24/20/1392792420.db2.gz AVYBNFPVULTBOT-GOSISDBHSA-N 2 0 345.531 3.018 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001480575690 1392798398 /nfs/dbraw/zinc/79/83/98/1392798398.db2.gz UHNPCDSFVVKQTK-DNVCBOLYSA-N 2 0 349.494 3.029 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001480575694 1392798472 /nfs/dbraw/zinc/79/84/72/1392798472.db2.gz UHNPCDSFVVKQTK-KXBFYZLASA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](CC)Cc1cccc2ccccc21)[NH+](C)C ZINC001481012633 1393088400 /nfs/dbraw/zinc/08/84/00/1393088400.db2.gz RDGGBLUOHPACIY-HXUWFJFHSA-N 2 0 341.499 3.118 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001698901715 1406634632 /nfs/dbraw/zinc/63/46/32/1406634632.db2.gz PQXNSKBZXWPDEN-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001481370226 1394210425 /nfs/dbraw/zinc/21/04/25/1394210425.db2.gz ZJOBSWXSPBODAG-PMACEKPBSA-N 2 0 345.531 3.354 20 0 EGADRP CC1CC(C[N@H+](C)CCC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001698951815 1406692363 /nfs/dbraw/zinc/69/23/63/1406692363.db2.gz KANOYJRKPGUMBA-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001481896963 1394584943 /nfs/dbraw/zinc/58/49/43/1394584943.db2.gz JIGRTYNHSBFVIN-IBGZPJMESA-N 2 0 343.515 3.078 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482292829 1394871120 /nfs/dbraw/zinc/87/11/20/1394871120.db2.gz TUPNDJHNWGOGCX-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCCC2)CC1 ZINC001482410571 1394975227 /nfs/dbraw/zinc/97/52/27/1394975227.db2.gz MULKAKTUYWTIIG-FQEVSTJZSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001483836611 1395104249 /nfs/dbraw/zinc/10/42/49/1395104249.db2.gz GBFXLPCLJJDLAD-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCC(C)(C)C)C2)C1)[NH+](C)C ZINC001483847741 1395115039 /nfs/dbraw/zinc/11/50/39/1395115039.db2.gz OYYUKYGUFXUXLS-PXNSSMCTSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@@H](C(=O)NC1(C)CC[NH+]([C@@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001483971559 1395169475 /nfs/dbraw/zinc/16/94/75/1395169475.db2.gz TWFMDPBRUSBPGD-HKUYNNGSSA-N 2 0 345.531 3.367 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1)C1CCC1 ZINC001484717354 1395478040 /nfs/dbraw/zinc/47/80/40/1395478040.db2.gz WHGBILAMIGTHRW-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1)C1CCC1 ZINC001484717357 1395478626 /nfs/dbraw/zinc/47/86/26/1395478626.db2.gz WHGBILAMIGTHRW-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1 ZINC001698989035 1406775661 /nfs/dbraw/zinc/77/56/61/1406775661.db2.gz GRKJUPBHAWRBMX-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1cccc(C)c1C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001485349907 1395823830 /nfs/dbraw/zinc/82/38/30/1395823830.db2.gz JNXBFCIPYMQYHF-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP CCCC[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485461261 1395936047 /nfs/dbraw/zinc/93/60/47/1395936047.db2.gz GMASVOVOPCHWAN-RBUKOAKNSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cccc(C)c1)[NH+](C)C ZINC001485483850 1395969788 /nfs/dbraw/zinc/96/97/88/1395969788.db2.gz COEMASYVNSHJQL-UXHICEINSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698997314 1406797718 /nfs/dbraw/zinc/79/77/18/1406797718.db2.gz NJIDKWHTPVLNFZ-FQEVSTJZSA-N 2 0 345.531 3.260 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001485582614 1396059413 /nfs/dbraw/zinc/05/94/13/1396059413.db2.gz RYQRKZUZSKRTOE-MOPGFXCFSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](Cc1ccccc1)C1CC1 ZINC001493423982 1396339684 /nfs/dbraw/zinc/33/96/84/1396339684.db2.gz OITMCMYQYZSYIP-FQEVSTJZSA-N 2 0 343.515 3.030 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001497474071 1396761540 /nfs/dbraw/zinc/76/15/40/1396761540.db2.gz QAZXTIGRFOPFAV-SFHVURJKSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498488800 1397034162 /nfs/dbraw/zinc/03/41/62/1397034162.db2.gz JJAGSQSNQBORCA-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001499243475 1397065950 /nfs/dbraw/zinc/06/59/50/1397065950.db2.gz HNFKEQZDAXHXIU-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CCC(N(C)C(=O)CCC[NH+](C)C)CC2)c1 ZINC001690025899 1404263673 /nfs/dbraw/zinc/26/36/73/1404263673.db2.gz IKRHGOKGNBSITC-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001690029160 1404267924 /nfs/dbraw/zinc/26/79/24/1404267924.db2.gz VPHVPSQVMYRKSJ-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001690498429 1404611358 /nfs/dbraw/zinc/61/13/58/1404611358.db2.gz HZHLTHYEUXPQEW-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001690575504 1404637925 /nfs/dbraw/zinc/63/79/25/1404637925.db2.gz VKYAGOKGOJNACG-SJORKVTESA-N 2 0 331.504 3.106 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001690732759 1404701643 /nfs/dbraw/zinc/70/16/43/1404701643.db2.gz PEBDDDMUFMWRFF-LPHOPBHVSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[NH2+]CCc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001690798695 1404740397 /nfs/dbraw/zinc/74/03/97/1404740397.db2.gz WDMZBEPHZBDSNW-SFHVURJKSA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cccc(C)c1 ZINC001691020228 1404934320 /nfs/dbraw/zinc/93/43/20/1404934320.db2.gz PZSPJBYYMQUMKV-AZUAARDMSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](CC)[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001691047418 1404959572 /nfs/dbraw/zinc/95/95/72/1404959572.db2.gz BHGXFPXEPHRTAY-PBHICJAKSA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]([C@H](C)c1ccccc1)C1CC1 ZINC001691211500 1405151767 /nfs/dbraw/zinc/15/17/67/1405151767.db2.gz UCWSEOYDDZBTCO-YLJYHZDGSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001691225344 1405165376 /nfs/dbraw/zinc/16/53/76/1405165376.db2.gz CIMAMBSKJJHVGB-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+](CC/C=C\c1ccccc1)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001731775929 1427893030 /nfs/dbraw/zinc/89/30/30/1427893030.db2.gz LUJSEVVOHBVHPX-UITAMQMPSA-N 2 0 348.450 3.328 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698552327 1406150362 /nfs/dbraw/zinc/15/03/62/1406150362.db2.gz AFTOMTIDTHKATD-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001698585095 1406200515 /nfs/dbraw/zinc/20/05/15/1406200515.db2.gz JVTZHYQSFCYNQO-IRXDYDNUSA-N 2 0 349.494 3.151 20 0 EGADRP CCCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732038212 1428262124 /nfs/dbraw/zinc/26/21/24/1428262124.db2.gz DAQVFAIRYFBGKQ-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001732041607 1428271432 /nfs/dbraw/zinc/27/14/32/1428271432.db2.gz SQHAVZHFNSTHRT-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001732041915 1428272040 /nfs/dbraw/zinc/27/20/40/1428272040.db2.gz NGLPZEWFFDVVMN-LJQANCHMSA-N 2 0 349.494 3.034 20 0 EGADRP Cc1cccc(C[N@@H+](C)CC2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001732087245 1428349457 /nfs/dbraw/zinc/34/94/57/1428349457.db2.gz JWCZRJORMBGDMQ-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001732186754 1428436677 /nfs/dbraw/zinc/43/66/77/1428436677.db2.gz OAHGVSILBBAXHL-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@](C)(C[NH2+]CC2CCC2)C2CC2)c1 ZINC001732253665 1428495134 /nfs/dbraw/zinc/49/51/34/1428495134.db2.gz MDTNOAOGERDYCO-OAQYLSRUSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001732488891 1428611616 /nfs/dbraw/zinc/61/16/16/1428611616.db2.gz ONNBXOSWAMFOCX-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001699130522 1412525048 /nfs/dbraw/zinc/52/50/48/1412525048.db2.gz CJQNHQVKSRQOCE-HNAYVOBHSA-N 2 0 349.494 3.103 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699450712 1412790144 /nfs/dbraw/zinc/79/01/44/1412790144.db2.gz LUWQCIMFWMTYDW-AWEZNQCLSA-N 2 0 330.476 3.129 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001699651613 1413034322 /nfs/dbraw/zinc/03/43/22/1413034322.db2.gz SXFYJJBNCVKXDU-IBGZPJMESA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)CCCC(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001699772670 1413179918 /nfs/dbraw/zinc/17/99/18/1413179918.db2.gz QOMYJQAVQJUPSU-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001732547120 1428723475 /nfs/dbraw/zinc/72/34/75/1428723475.db2.gz KPLDSVLXVVGOMM-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)C2 ZINC001699978003 1413421776 /nfs/dbraw/zinc/42/17/76/1413421776.db2.gz ZBDAIKNTJRCRCW-ACDBMABISA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700177765 1413587506 /nfs/dbraw/zinc/58/75/06/1413587506.db2.gz SRIXYPNHEQFQCE-MJGOQNOKSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@H+](CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001700344956 1413830856 /nfs/dbraw/zinc/83/08/56/1413830856.db2.gz HDZRSFDRXRAWTI-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)C/C=C/c1ccccc1 ZINC001700473513 1414095415 /nfs/dbraw/zinc/09/54/15/1414095415.db2.gz FFWXPRCKIFCQEY-LVMGUKCRSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1C/C=C/Cl)CC(C)(C)C ZINC001700524889 1414184824 /nfs/dbraw/zinc/18/48/24/1414184824.db2.gz AOHUBIIIAPNNFB-DZZUKKPASA-N 2 0 343.943 3.078 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001700621114 1414290715 /nfs/dbraw/zinc/29/07/15/1414290715.db2.gz KJVRZPOMHYSUJB-QWUACUGRSA-N 2 0 349.563 3.243 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CCC[NH+](C)C)cc1 ZINC001707162519 1417225717 /nfs/dbraw/zinc/22/57/17/1417225717.db2.gz ZBNCQPUYKIHHRL-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707440338 1417343935 /nfs/dbraw/zinc/34/39/35/1417343935.db2.gz KYVYTSCLLJZWIT-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707440343 1417344430 /nfs/dbraw/zinc/34/44/30/1417344430.db2.gz KYVYTSCLLJZWIT-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707443544 1417347512 /nfs/dbraw/zinc/34/75/12/1417347512.db2.gz PMUHQRABBOGZLZ-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001713271395 1417884103 /nfs/dbraw/zinc/88/41/03/1417884103.db2.gz IRMFCBUQUXSNIZ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001733065090 1429218081 /nfs/dbraw/zinc/21/80/81/1429218081.db2.gz FRGXDZQAPNRPQO-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001733065089 1429218118 /nfs/dbraw/zinc/21/81/18/1429218118.db2.gz FRGXDZQAPNRPQO-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001713322280 1417946936 /nfs/dbraw/zinc/94/69/36/1417946936.db2.gz JNUFZCXHQNIABN-HUUCEWRRSA-N 2 0 349.906 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001713399661 1418020517 /nfs/dbraw/zinc/02/05/17/1418020517.db2.gz QQLMAKXMWNFLQC-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001713719687 1418489357 /nfs/dbraw/zinc/48/93/57/1418489357.db2.gz FYEOODYIMKOBSI-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001713848494 1418644248 /nfs/dbraw/zinc/64/42/48/1418644248.db2.gz AJLAWBVQVMXELJ-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001714092500 1418886722 /nfs/dbraw/zinc/88/67/22/1418886722.db2.gz WJFMXSAYGCOYIR-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CCCCC1 ZINC001714125577 1418930293 /nfs/dbraw/zinc/93/02/93/1418930293.db2.gz YXPCTHOMXTXFCG-HXUWFJFHSA-N 2 0 345.531 3.427 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001714146506 1418951614 /nfs/dbraw/zinc/95/16/14/1418951614.db2.gz XJHNBAGNPGGRKK-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CCC(CC)C[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001714191719 1418998348 /nfs/dbraw/zinc/99/83/48/1418998348.db2.gz XWRNKHAPLOKRGJ-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@@H](CC)C1 ZINC001733196967 1429299668 /nfs/dbraw/zinc/29/96/68/1429299668.db2.gz HCRZXNVXGILKQQ-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714237260 1419026936 /nfs/dbraw/zinc/02/69/36/1419026936.db2.gz XNRAEJCJGBZDFX-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1)[NH+](CC)CC ZINC001714366095 1419125730 /nfs/dbraw/zinc/12/57/30/1419125730.db2.gz MAMUAJOKFQASHP-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001714452485 1419184939 /nfs/dbraw/zinc/18/49/39/1419184939.db2.gz FDSUNUGVJPRAAG-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H](CCNC(=O)Cc1c[nH]cn1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001714491475 1419214893 /nfs/dbraw/zinc/21/48/93/1419214893.db2.gz DZCVCBQNZUWDQN-KLAILNCOSA-N 2 0 348.535 3.289 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CCCC1 ZINC001714510139 1419237680 /nfs/dbraw/zinc/23/76/80/1419237680.db2.gz SEDHQXYDVMFXPK-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](CC)c1ccc(F)cc1 ZINC001714645398 1419419958 /nfs/dbraw/zinc/41/99/58/1419419958.db2.gz NMWIXRHXCIKKCW-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714656663 1419438433 /nfs/dbraw/zinc/43/84/33/1419438433.db2.gz MCLVQMNJXQMNOS-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001714728425 1419485623 /nfs/dbraw/zinc/48/56/23/1419485623.db2.gz UIHSNYVBFYNQMD-VQIMIIECSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001714769453 1419500721 /nfs/dbraw/zinc/50/07/21/1419500721.db2.gz BYDGSTAAELHQOW-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001714859140 1419578679 /nfs/dbraw/zinc/57/86/79/1419578679.db2.gz GKLUURVUQOPFMF-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715317200 1420025751 /nfs/dbraw/zinc/02/57/51/1420025751.db2.gz TWUCWHVBELSIEP-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001715369769 1420066501 /nfs/dbraw/zinc/06/65/01/1420066501.db2.gz RHNKQUOGJFZUQH-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001715377450 1420073315 /nfs/dbraw/zinc/07/33/15/1420073315.db2.gz NISWXLKVBXDXBO-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001715457502 1420138511 /nfs/dbraw/zinc/13/85/11/1420138511.db2.gz GRGPVZAVYSQAJS-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715961174 1420428068 /nfs/dbraw/zinc/42/80/68/1420428068.db2.gz ZMODZSJNOUDBPK-VQIMIIECSA-N 2 0 349.494 3.009 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716507343 1420738228 /nfs/dbraw/zinc/73/82/28/1420738228.db2.gz CKWKLEAQOYQPAM-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001716549400 1420757488 /nfs/dbraw/zinc/75/74/88/1420757488.db2.gz VHUKLGJVRNJWDG-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001716771068 1420915056 /nfs/dbraw/zinc/91/50/56/1420915056.db2.gz QXOLFJNFNZZPAS-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1cc(C[NH+]2CCC(C)(NC(=O)C[N@@H+](C)C3CCC3)CC2)cs1 ZINC001716796185 1420928863 /nfs/dbraw/zinc/92/88/63/1420928863.db2.gz QTMWGANGOJEBFI-UHFFFAOYSA-N 2 0 349.544 3.012 20 0 EGADRP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001716849376 1420978943 /nfs/dbraw/zinc/97/89/43/1420978943.db2.gz WKUHSQBNYAYGGI-ICSRJNTNSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001733286980 1429461770 /nfs/dbraw/zinc/46/17/70/1429461770.db2.gz VZNHPFKCHIDLCJ-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001717370853 1421309328 /nfs/dbraw/zinc/30/93/28/1421309328.db2.gz JRLJOCJVVQHZOX-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cccc([C@@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001717487700 1421424506 /nfs/dbraw/zinc/42/45/06/1421424506.db2.gz LDHNZQAQGGWVDA-QZTJIDSGSA-N 2 0 347.547 3.470 20 0 EGADRP CCCC[C@@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001717532091 1421468457 /nfs/dbraw/zinc/46/84/57/1421468457.db2.gz YPEQCRHNTVSDFS-VQTJNVASSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001717966365 1421737894 /nfs/dbraw/zinc/73/78/94/1421737894.db2.gz HVXXGUYOYQNTPE-WMZOPIPTSA-N 2 0 339.568 3.131 20 0 EGADRP CC1CC(C[NH+]2CCC(C)(CNC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001733453478 1429667211 /nfs/dbraw/zinc/66/72/11/1429667211.db2.gz IEDJMXSGQLCSGR-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1[NH2+]C(C)C ZINC001723377183 1424377545 /nfs/dbraw/zinc/37/75/45/1424377545.db2.gz JFHSHJDAQAVZMD-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723483893 1424435952 /nfs/dbraw/zinc/43/59/52/1424435952.db2.gz KZDMLWPMWQUKPX-RTBURBONSA-N 2 0 343.515 3.123 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001723578759 1424473088 /nfs/dbraw/zinc/47/30/88/1424473088.db2.gz RVPYRXIDTRFWAW-UHFFFAOYSA-N 2 0 345.531 3.064 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001724183722 1424717966 /nfs/dbraw/zinc/71/79/66/1424717966.db2.gz LBLORVFBYXCGQD-UYAOXDASSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724188453 1424720629 /nfs/dbraw/zinc/72/06/29/1424720629.db2.gz GLLPRJLSXHJWBX-WIYYLYMNSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724188449 1424720874 /nfs/dbraw/zinc/72/08/74/1424720874.db2.gz GLLPRJLSXHJWBX-NQIIRXRSSA-N 2 0 343.515 3.204 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001724783246 1425149294 /nfs/dbraw/zinc/14/92/94/1425149294.db2.gz IUSWKGSUULIAFK-IBGZPJMESA-N 2 0 349.563 3.458 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cc(C)ccc1C ZINC001725051146 1425483522 /nfs/dbraw/zinc/48/35/22/1425483522.db2.gz CDOUXSOQMWVHHN-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)CC1CC(C)C1 ZINC001725170128 1425677442 /nfs/dbraw/zinc/67/74/42/1425677442.db2.gz LVWMVSGGOSOCMF-ADKAHSJRSA-N 2 0 337.552 3.124 20 0 EGADRP CC1CC(C[N@@H+]2CCCCC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001725243366 1425856073 /nfs/dbraw/zinc/85/60/73/1425856073.db2.gz SXOVDXAGKRXOPB-LYBXBRPPSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001725244077 1425857923 /nfs/dbraw/zinc/85/79/23/1425857923.db2.gz XDXYLLLOIGRERJ-RTBURBONSA-N 2 0 339.568 3.370 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001725601148 1426257064 /nfs/dbraw/zinc/25/70/64/1426257064.db2.gz MYFDNEJELALLRD-UZLBHIALSA-N 2 0 345.531 3.377 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001725657156 1426339965 /nfs/dbraw/zinc/33/99/65/1426339965.db2.gz UGXPEZCWHXSBIP-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001731385795 1427330772 /nfs/dbraw/zinc/33/07/72/1427330772.db2.gz NVTCPEBKOIEJEV-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCC1CCCCCC1 ZINC001731619434 1427667884 /nfs/dbraw/zinc/66/78/84/1427667884.db2.gz WRYXGPICHUXBSI-KRWDZBQOSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001733761737 1429977381 /nfs/dbraw/zinc/97/73/81/1429977381.db2.gz ADYXVKQRPXOYJQ-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CCCCC1 ZINC001733906976 1437725163 /nfs/dbraw/zinc/72/51/63/1437725163.db2.gz WLDWXHSBIOEALY-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734055709 1437846277 /nfs/dbraw/zinc/84/62/77/1437846277.db2.gz BNQSHYPAZVXAQL-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001734062524 1437856810 /nfs/dbraw/zinc/85/68/10/1437856810.db2.gz RFAPNJLGKNWADO-APWZRJJASA-N 2 0 347.547 3.261 20 0 EGADRP CC(C)[NH2+][C@@H](CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001734080834 1437868091 /nfs/dbraw/zinc/86/80/91/1437868091.db2.gz DAYKNVGSOGTOSQ-IBGZPJMESA-N 2 0 333.520 3.233 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001752098469 1440140514 /nfs/dbraw/zinc/14/05/14/1440140514.db2.gz JGQQCQSNJXRNON-MOPGFXCFSA-N 2 0 345.531 3.144 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752120810 1440142724 /nfs/dbraw/zinc/14/27/24/1440142724.db2.gz CIZHSLBHDHAKCW-GOSISDBHSA-N 2 0 331.504 3.062 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)C1 ZINC001752308987 1440169085 /nfs/dbraw/zinc/16/90/85/1440169085.db2.gz VRXBYBFSNXSQRV-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001752427276 1440177654 /nfs/dbraw/zinc/17/76/54/1440177654.db2.gz OHRMDJIUSHZKEF-GOSISDBHSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]([NH2+]CC2CCCCCC2)C2CC2)CC1 ZINC001752509554 1440190113 /nfs/dbraw/zinc/19/01/13/1440190113.db2.gz BYJSWFANQJDFBA-HXUWFJFHSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001752706869 1440202815 /nfs/dbraw/zinc/20/28/15/1440202815.db2.gz KKQPLHFDEUJZFC-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001752768614 1440205870 /nfs/dbraw/zinc/20/58/70/1440205870.db2.gz IGAXHGMVIWDCKI-YTQUADARSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001752812429 1440216894 /nfs/dbraw/zinc/21/68/94/1440216894.db2.gz XWYXYCBYYVZSKO-SFHVURJKSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC(C)C)C1 ZINC001752814311 1440217536 /nfs/dbraw/zinc/21/75/36/1440217536.db2.gz GMBYLUYQFLJMSQ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001752825676 1440223585 /nfs/dbraw/zinc/22/35/85/1440223585.db2.gz YMILTRJFUPJRLS-LJQANCHMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001752827363 1440224172 /nfs/dbraw/zinc/22/41/72/1440224172.db2.gz AIMAIMSPSVQPJE-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CCCCC2)CCC1 ZINC001752827867 1440224354 /nfs/dbraw/zinc/22/43/54/1440224354.db2.gz ICWLDLKXWJDLTJ-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001752873135 1440237508 /nfs/dbraw/zinc/23/75/08/1440237508.db2.gz OZZAEHQUXZXMMT-QGZVFWFLSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC001752903300 1440243599 /nfs/dbraw/zinc/24/35/99/1440243599.db2.gz NZHJLNVPWRQRMW-OALUTQOASA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001752939252 1440250734 /nfs/dbraw/zinc/25/07/34/1440250734.db2.gz YGDLFCFBOAJOLD-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001752981984 1440257328 /nfs/dbraw/zinc/25/73/28/1440257328.db2.gz AZRVEGPJPNDUFZ-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001752993493 1440260564 /nfs/dbraw/zinc/26/05/64/1440260564.db2.gz HVDSWISUFMQXOV-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001753028496 1440272317 /nfs/dbraw/zinc/27/23/17/1440272317.db2.gz HSAACGRRNRAHDZ-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001753094806 1440301981 /nfs/dbraw/zinc/30/19/81/1440301981.db2.gz JAJWYMIORNBIFV-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001753131303 1440316851 /nfs/dbraw/zinc/31/68/51/1440316851.db2.gz RHNXAPIKHVDQHX-XBMUEBEBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753136193 1440319033 /nfs/dbraw/zinc/31/90/33/1440319033.db2.gz UJLUGZLFJRVREP-NHQAVIFJSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC1CCCC1 ZINC001753149252 1440326749 /nfs/dbraw/zinc/32/67/49/1440326749.db2.gz WYWIVHXHRKVXGW-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001753155131 1440330428 /nfs/dbraw/zinc/33/04/28/1440330428.db2.gz BOAPQPKICOIRPH-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001753325775 1440366635 /nfs/dbraw/zinc/36/66/35/1440366635.db2.gz DGGCTFNSHGZLRW-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001753327269 1440367380 /nfs/dbraw/zinc/36/73/80/1440367380.db2.gz JPVIARDLLCZLDC-CTWPCTMYSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC1CCCC1)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001753367553 1440386298 /nfs/dbraw/zinc/38/62/98/1440386298.db2.gz OJTHCWOGWUXTNI-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001753486958 1440418058 /nfs/dbraw/zinc/41/80/58/1440418058.db2.gz DFVWKRSTHMYMHC-HNAYVOBHSA-N 2 0 349.494 3.103 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001753587651 1440441819 /nfs/dbraw/zinc/44/18/19/1440441819.db2.gz LBKZTUJJRGMUJQ-SHOKJUJBSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001753645212 1440455611 /nfs/dbraw/zinc/45/56/11/1440455611.db2.gz UTRDIQWMWWFCAO-KRWDZBQOSA-N 2 0 347.547 3.166 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CC2CCCCCC2)CCCC1)C1CCC1 ZINC001753663988 1440459622 /nfs/dbraw/zinc/45/96/22/1440459622.db2.gz LXAJLHIGIBADNK-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CCC(C)C)CCCC2)C1 ZINC001753668375 1440461093 /nfs/dbraw/zinc/46/10/93/1440461093.db2.gz XPFKODRZFNJCQO-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC3CCCCC3)CCCC2)CC1 ZINC001753669372 1440461404 /nfs/dbraw/zinc/46/14/04/1440461404.db2.gz POOMDYZZDVTGDF-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001753671321 1440462142 /nfs/dbraw/zinc/46/21/42/1440462142.db2.gz VJQQIAIHZKPMMB-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CCCCCC2)CCCC1 ZINC001753671390 1440462188 /nfs/dbraw/zinc/46/21/88/1440462188.db2.gz XXRRZNHCIOQUFG-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753725367 1440474281 /nfs/dbraw/zinc/47/42/81/1440474281.db2.gz CSYVNEMGIGQINS-IAGOWNOFSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CCCCC2)CC[N@@H+]1C ZINC001753748143 1440481774 /nfs/dbraw/zinc/48/17/74/1440481774.db2.gz HMYKKDAUGJTPCV-VDGAXYAQSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001753782221 1440487439 /nfs/dbraw/zinc/48/74/39/1440487439.db2.gz CXESSNVHINEWOG-LJQANCHMSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@@H](F)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001753794972 1440489561 /nfs/dbraw/zinc/48/95/61/1440489561.db2.gz FIXIZYBSXSOIBE-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001753852916 1440507630 /nfs/dbraw/zinc/50/76/30/1440507630.db2.gz DYQUFCWHHWTUBK-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753899814 1440523316 /nfs/dbraw/zinc/52/33/16/1440523316.db2.gz OZQNMIYJHFSMTJ-UXHICEINSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@@H](CC[NH2+][C@H]1CCCc2ccccc21)NC(=O)C1([NH+](C)C)CCC1 ZINC001753970846 1440527098 /nfs/dbraw/zinc/52/70/98/1440527098.db2.gz LPVNARBXXJEAEL-LPHOPBHVSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](CC[NH2+]CCC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001754005320 1440530777 /nfs/dbraw/zinc/53/07/77/1440530777.db2.gz TWYOPJOZNQQGKH-QGZVFWFLSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001754119919 1440542802 /nfs/dbraw/zinc/54/28/02/1440542802.db2.gz OMWOXARCSXZWTE-RURPWVQCSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001754241764 1440555947 /nfs/dbraw/zinc/55/59/47/1440555947.db2.gz UOIOVIRBQMJZDN-QGZVFWFLSA-N 2 0 347.547 3.147 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC001754255101 1440559057 /nfs/dbraw/zinc/55/90/57/1440559057.db2.gz DALQROCQNBYOLD-MJGOQNOKSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754267538 1440560864 /nfs/dbraw/zinc/56/08/64/1440560864.db2.gz MXGKGQKAWZBWHD-HGZMWJMZSA-N 2 0 343.515 3.059 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001754296585 1440566416 /nfs/dbraw/zinc/56/64/16/1440566416.db2.gz RDYQRTNZWFDALF-PXNSSMCTSA-N 2 0 345.531 3.279 20 0 EGADRP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001754310618 1440573113 /nfs/dbraw/zinc/57/31/13/1440573113.db2.gz JKTSPTTUESZULZ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001754416797 1440596923 /nfs/dbraw/zinc/59/69/23/1440596923.db2.gz TXXJBXMFDDHGMC-KDURUIRLSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1[NH2+]CC=C(C)C ZINC001754463235 1440603774 /nfs/dbraw/zinc/60/37/74/1440603774.db2.gz AUOOIMKJVNLXCJ-MOPGFXCFSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001754470911 1440605452 /nfs/dbraw/zinc/60/54/52/1440605452.db2.gz SIZWXIDXIIWZHE-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CCC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001754515588 1440618550 /nfs/dbraw/zinc/61/85/50/1440618550.db2.gz UGSDGXUEZWURMF-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001754661508 1440655139 /nfs/dbraw/zinc/65/51/39/1440655139.db2.gz GLVPKGTYUVTLGQ-YAQIIAKESA-N 2 0 349.563 3.389 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001754662444 1440655527 /nfs/dbraw/zinc/65/55/27/1440655527.db2.gz ZONOFWBDUOCIOF-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001754662443 1440655629 /nfs/dbraw/zinc/65/56/29/1440655629.db2.gz ZONOFWBDUOCIOF-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001754682798 1440663457 /nfs/dbraw/zinc/66/34/57/1440663457.db2.gz FHNVSFVNSYCLOZ-UZLBHIALSA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754696038 1440667023 /nfs/dbraw/zinc/66/70/23/1440667023.db2.gz VRNWQWIXPPXVFL-GHTZIAJQSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH+]1CCC(C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001754721807 1440673545 /nfs/dbraw/zinc/67/35/45/1440673545.db2.gz BIYKXMTYXNVIQR-UHFFFAOYSA-N 2 0 349.519 3.363 20 0 EGADRP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001754722359 1440673913 /nfs/dbraw/zinc/67/39/13/1440673913.db2.gz UGXXHLQGCXHBQW-PLNGDYQASA-N 2 0 349.563 3.437 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@]2(C)CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001754732240 1440680135 /nfs/dbraw/zinc/68/01/35/1440680135.db2.gz QIOOJGTXHPYHKY-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]([NH2+]CCC1CCCCCC1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754807127 1440691449 /nfs/dbraw/zinc/69/14/49/1440691449.db2.gz LWPSOATYGUEHIH-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754914776 1440708461 /nfs/dbraw/zinc/70/84/61/1440708461.db2.gz MICNAKMUDRTDLQ-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001754919110 1440709128 /nfs/dbraw/zinc/70/91/28/1440709128.db2.gz MHUSJRGKMDNEQZ-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755026776 1440729146 /nfs/dbraw/zinc/72/91/46/1440729146.db2.gz WUBHRAKGGIJLEI-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001755027526 1440729708 /nfs/dbraw/zinc/72/97/08/1440729708.db2.gz BHNFHNPYHOVQKN-MOPGFXCFSA-N 2 0 345.531 3.287 20 0 EGADRP CC(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755037326 1440735213 /nfs/dbraw/zinc/73/52/13/1440735213.db2.gz VAMZTHDUZPNXJM-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]CCC(C)(C)C)CC1 ZINC001755073301 1440747446 /nfs/dbraw/zinc/74/74/46/1440747446.db2.gz OIACSKWOLGQKII-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001755129957 1440756970 /nfs/dbraw/zinc/75/69/70/1440756970.db2.gz ZLVSREQEULCDPK-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755136278 1440758313 /nfs/dbraw/zinc/75/83/13/1440758313.db2.gz SJTSKYNJZNHBRY-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC2(C)C)CCCCC1 ZINC001755141545 1440760595 /nfs/dbraw/zinc/76/05/95/1440760595.db2.gz NEIWQPZBFQGZIO-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1cccc(C)c1 ZINC001755202038 1440780362 /nfs/dbraw/zinc/78/03/62/1440780362.db2.gz YKNRGHNOUZKRNX-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208793 1440782598 /nfs/dbraw/zinc/78/25/98/1440782598.db2.gz AZPNFAULMLHEJR-QFBILLFUSA-N 2 0 349.494 3.033 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001755213230 1440783588 /nfs/dbraw/zinc/78/35/88/1440783588.db2.gz YPPOKSMAOSSLGP-WWDZGPRUSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001755248350 1440791264 /nfs/dbraw/zinc/79/12/64/1440791264.db2.gz IQEWKVQTGWUBQR-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001755271427 1440797821 /nfs/dbraw/zinc/79/78/21/1440797821.db2.gz SSBRDRPNNPBBNS-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001755274492 1440798530 /nfs/dbraw/zinc/79/85/30/1440798530.db2.gz GBJYHQLTUUJDIU-UHFFFAOYSA-N 2 0 337.552 3.407 20 0 EGADRP CN(C(=O)CCC[NH+](C)C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC001755274887 1440798628 /nfs/dbraw/zinc/79/86/28/1440798628.db2.gz IWTXEPCNRZIIKW-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)CC1CC(C)(C)C1 ZINC001755327011 1440822332 /nfs/dbraw/zinc/82/23/32/1440822332.db2.gz CTDYYEFHIJJCAQ-INIZCTEOSA-N 2 0 345.531 3.235 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755416454 1440849174 /nfs/dbraw/zinc/84/91/74/1440849174.db2.gz UGBNLOTVSDOIPB-VANUVFSVSA-N 2 0 349.563 3.434 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001755573751 1440877625 /nfs/dbraw/zinc/87/76/25/1440877625.db2.gz TXYLNZWDQJXICP-XLIONFOSSA-N 2 0 345.531 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@@H]1C ZINC001755662455 1440892881 /nfs/dbraw/zinc/89/28/81/1440892881.db2.gz DQHLPVLBEZSCPE-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001755690412 1440896678 /nfs/dbraw/zinc/89/66/78/1440896678.db2.gz OBMSEPRKRGXUDQ-OALUTQOASA-N 2 0 345.531 3.033 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001755690868 1440896717 /nfs/dbraw/zinc/89/67/17/1440896717.db2.gz ZALJHDBCOBUOLM-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001755692309 1440896992 /nfs/dbraw/zinc/89/69/92/1440896992.db2.gz JKKBPEHORVVTCU-RBUKOAKNSA-N 2 0 345.531 3.031 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC001755701783 1440900516 /nfs/dbraw/zinc/90/05/16/1440900516.db2.gz RPRZGMXNUIPVPH-IRFCIJBXSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC1CCCCCC1 ZINC001755722832 1440908139 /nfs/dbraw/zinc/90/81/39/1440908139.db2.gz OTILJTRUZMDWMX-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001755756837 1440914178 /nfs/dbraw/zinc/91/41/78/1440914178.db2.gz HDDHCBOJKUORDR-RBUKOAKNSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001755766543 1440916373 /nfs/dbraw/zinc/91/63/73/1440916373.db2.gz MHNXGXHNGCJPKO-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001755766977 1440916494 /nfs/dbraw/zinc/91/64/94/1440916494.db2.gz SSCYSFOOJQRNFA-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001755830579 1440928631 /nfs/dbraw/zinc/92/86/31/1440928631.db2.gz ONCRKACGTZHZJC-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001755834013 1440929533 /nfs/dbraw/zinc/92/95/33/1440929533.db2.gz UQAFXSVKPTUPHX-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755839944 1440931225 /nfs/dbraw/zinc/93/12/25/1440931225.db2.gz OHJZNOVTJVLCJZ-KRWDZBQOSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](c1ccccc1)N1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000368217318 168326666 /nfs/dbraw/zinc/32/66/66/168326666.db2.gz XREQKYZTBCRIKX-OAHLLOKOSA-N 2 0 335.455 3.225 20 0 EGADRP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000368470576 168360822 /nfs/dbraw/zinc/36/08/22/168360822.db2.gz NVLDAUYEJRKTBW-VNXMGFANSA-N 2 0 342.527 3.428 20 0 EGADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000177751855 231974971 /nfs/dbraw/zinc/97/49/71/231974971.db2.gz HKYUZWXWYKYFRM-BZSNNMDCSA-N 2 0 334.504 3.201 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000181676828 529999958 /nfs/dbraw/zinc/99/99/58/529999958.db2.gz QQEXMOACRRVLCY-OAQYLSRUSA-N 2 0 346.515 3.374 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1)C(C)C ZINC000103450915 219301556 /nfs/dbraw/zinc/30/15/56/219301556.db2.gz DCISJBGLOYCDHS-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000343444183 283187954 /nfs/dbraw/zinc/18/79/54/283187954.db2.gz VYFWHMDIWDERNM-OAQYLSRUSA-N 2 0 343.515 3.134 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000343444161 283187973 /nfs/dbraw/zinc/18/79/73/283187973.db2.gz VYFWHMDIWDERNM-NRFANRHFSA-N 2 0 343.515 3.134 20 0 EGADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000189573132 237036922 /nfs/dbraw/zinc/03/69/22/237036922.db2.gz YOONEZAFEXSEKI-FGZHOGPDSA-N 2 0 341.543 3.210 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000262689655 245122122 /nfs/dbraw/zinc/12/21/22/245122122.db2.gz ZDBZKRLQLNGCKS-FQEVSTJZSA-N 2 0 339.483 3.151 20 0 EGADRP C[C@H](CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377620566 169049894 /nfs/dbraw/zinc/04/98/94/169049894.db2.gz FCLVEMRYLJFHPB-WIYYLYMNSA-N 2 0 329.532 3.281 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc4occc4c3)CC2)CC1 ZINC000377689884 169062098 /nfs/dbraw/zinc/06/20/98/169062098.db2.gz FLFULQBTGGMQPA-UHFFFAOYSA-N 2 0 341.499 3.282 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)nc32)cc1OC ZINC000378186120 169082138 /nfs/dbraw/zinc/08/21/38/169082138.db2.gz VYSPWVYRYWJYPW-PBHICJAKSA-N 2 0 343.471 3.307 20 0 EGADRP Cc1cccc(CCC[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000378480725 169127599 /nfs/dbraw/zinc/12/75/99/169127599.db2.gz BHHLOXUIDMFJHC-NRFANRHFSA-N 2 0 329.532 3.028 20 0 EGADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821727 218171750 /nfs/dbraw/zinc/17/17/50/218171750.db2.gz OXALKKSWLHCBBA-IBGZPJMESA-N 3 0 330.520 3.104 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000076042092 284755077 /nfs/dbraw/zinc/75/50/77/284755077.db2.gz GSLWRJHISSHUPG-SJLPKXTDSA-N 2 0 333.520 3.162 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000342749707 284787187 /nfs/dbraw/zinc/78/71/87/284787187.db2.gz ZUCMILVCKRBJKM-IHPCNDPISA-N 2 0 343.515 3.155 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000095419940 218360715 /nfs/dbraw/zinc/36/07/15/218360715.db2.gz DIDRNYYIWGIEIW-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357786582 296391783 /nfs/dbraw/zinc/39/17/83/296391783.db2.gz FYAKNWGOQIXSMD-UTKZUKDTSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000130842451 533458081 /nfs/dbraw/zinc/45/80/81/533458081.db2.gz UNJLKEDPUBMGRN-OAHLLOKOSA-N 2 0 342.439 3.207 20 0 EGADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000237464804 141003699 /nfs/dbraw/zinc/00/36/99/141003699.db2.gz HTXQYDQSJKIGKW-DNVCBOLYSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000237479204 141004526 /nfs/dbraw/zinc/00/45/26/141004526.db2.gz RDQTXJRAANEIOB-UZLBHIALSA-N 2 0 329.488 3.247 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@@H](C)C1 ZINC000246851624 141038999 /nfs/dbraw/zinc/03/89/99/141038999.db2.gz CBIIHKVJSIIOFP-HNAYVOBHSA-N 2 0 326.488 3.309 20 0 EGADRP C[NH+](C)CC1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC000339520199 141125521 /nfs/dbraw/zinc/12/55/21/141125521.db2.gz XMZSJTVNDUJPQP-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1(C)C ZINC000342809072 141149762 /nfs/dbraw/zinc/14/97/62/141149762.db2.gz GTQPZRZRYHICCC-UXHICEINSA-N 2 0 346.515 3.453 20 0 EGADRP c1[nH]nc2cc(CC[NH2+][C@@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000342810138 141149901 /nfs/dbraw/zinc/14/99/01/141149901.db2.gz OUKLHDRKJFJJRO-HXUWFJFHSA-N 2 0 334.467 3.360 20 0 EGADRP CC[N@H+](CCCC1CC[NH+](C[C@@H]2CCCO2)CC1)C[C@@H]1CCCO1 ZINC000346456337 141198706 /nfs/dbraw/zinc/19/87/06/141198706.db2.gz OHINRIYXCKRUIP-PMACEKPBSA-N 2 0 338.536 3.159 20 0 EGADRP CCc1cccnc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000356839505 141351813 /nfs/dbraw/zinc/35/18/13/141351813.db2.gz DUUGGLDZVBRSSH-CRAIPNDOSA-N 2 0 339.487 3.352 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC2CCCC2)CC1 ZINC000130244087 143969140 /nfs/dbraw/zinc/96/91/40/143969140.db2.gz ARIYGIOWLSTKRJ-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000172857475 144030582 /nfs/dbraw/zinc/03/05/82/144030582.db2.gz XCAVNXLTZZSUEY-QZTJIDSGSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000178651178 144073810 /nfs/dbraw/zinc/07/38/10/144073810.db2.gz WDUVHKPZZAAKPS-GJZGRUSLSA-N 2 0 347.528 3.082 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178714818 144075694 /nfs/dbraw/zinc/07/56/94/144075694.db2.gz CZLFXDYLKAPAIW-CABCVRRESA-N 2 0 330.476 3.081 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C1CCSCC1 ZINC000187035435 144150349 /nfs/dbraw/zinc/15/03/49/144150349.db2.gz RMYHVSXAISGJQN-KRWDZBQOSA-N 2 0 347.572 3.055 20 0 EGADRP Cc1ccc(CCN(Cc2ccco2)C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351516243 144273090 /nfs/dbraw/zinc/27/30/90/144273090.db2.gz FEKOIJDDOVOWOL-HXUWFJFHSA-N 2 0 342.483 3.088 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847527 144315988 /nfs/dbraw/zinc/31/59/88/144315988.db2.gz AEMZAPSCIWNONL-HOTGVXAUSA-N 2 0 339.439 3.087 20 0 EGADRP COCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CC=CCC1 ZINC000361685293 144350250 /nfs/dbraw/zinc/35/02/50/144350250.db2.gz DIPPWFPGOVOSJD-SFHVURJKSA-N 2 0 340.471 3.380 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341407060 155274567 /nfs/dbraw/zinc/27/45/67/155274567.db2.gz VDINVAMKCDQPMK-PXNSSMCTSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1c(F)cccc1-c1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)o1 ZINC000115617020 152023300 /nfs/dbraw/zinc/02/33/00/152023300.db2.gz DHQUPWFEHSUJEW-UHFFFAOYSA-N 2 0 346.446 3.188 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000120678547 152292209 /nfs/dbraw/zinc/29/22/09/152292209.db2.gz CVQFIPVIRHWAFV-KSZLIROESA-N 2 0 345.531 3.404 20 0 EGADRP O[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000341585036 155368362 /nfs/dbraw/zinc/36/83/62/155368362.db2.gz KQJPOPQXDWRAQZ-FGZHOGPDSA-N 2 0 338.495 3.407 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)C(C)(C)C ZINC000341604121 155379207 /nfs/dbraw/zinc/37/92/07/155379207.db2.gz YIXMXFIJDPEPMP-LJQANCHMSA-N 2 0 332.536 3.002 20 0 EGADRP CC1CCN(C(=[NH2+])NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000341617248 155384239 /nfs/dbraw/zinc/38/42/39/155384239.db2.gz MVWUTTFTYUXCJV-UHFFFAOYSA-N 2 0 328.504 3.429 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000310068879 154139904 /nfs/dbraw/zinc/13/99/04/154139904.db2.gz CPRGLIIOIZLCOQ-PMACEKPBSA-N 2 0 328.500 3.447 20 0 EGADRP C[C@@H]([NH2+]Cc1cnn2ccccc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311045031 154144452 /nfs/dbraw/zinc/14/44/52/154144452.db2.gz FREQQVUJYCCYEJ-IEBWSBKVSA-N 2 0 334.467 3.335 20 0 EGADRP COC1(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000336663036 154209562 /nfs/dbraw/zinc/20/95/62/154209562.db2.gz WKOGOVLDENZAEC-UXHICEINSA-N 2 0 328.500 3.400 20 0 EGADRP c1cnn(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC000336815434 154216157 /nfs/dbraw/zinc/21/61/57/154216157.db2.gz ZUOYUSXKWLFCAS-OAQYLSRUSA-N 2 0 346.478 3.484 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000339885266 155018017 /nfs/dbraw/zinc/01/80/17/155018017.db2.gz QVFBYRHADSJZPM-LJQANCHMSA-N 2 0 336.439 3.147 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000341035398 155127282 /nfs/dbraw/zinc/12/72/82/155127282.db2.gz TWGZPMTWIWXXDQ-GHTZIAJQSA-N 2 0 338.495 3.253 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000346810760 156146538 /nfs/dbraw/zinc/14/65/38/156146538.db2.gz AOOPHRXHSHGZBZ-FUHWJXTLSA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cs1 ZINC000349079119 156346036 /nfs/dbraw/zinc/34/60/36/156346036.db2.gz SDDWDRQEQVMXQB-HNNXBMFYSA-N 2 0 329.941 3.249 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000349122579 156358461 /nfs/dbraw/zinc/35/84/61/156358461.db2.gz ZENPURMJMIMSKJ-IRXDYDNUSA-N 2 0 337.533 3.122 20 0 EGADRP Cc1ccc(NC(=O)CN2CCC[C@@H](c3nccn3C)C2)c(Cl)c1 ZINC000365623327 157193748 /nfs/dbraw/zinc/19/37/48/157193748.db2.gz GDVXXELCKCQPMC-CQSZACIVSA-N 2 0 346.862 3.200 20 0 EGADRP CC[C@@H](C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)[NH+](CC)CC ZINC000345871080 286726975 /nfs/dbraw/zinc/72/69/75/286726975.db2.gz CIVMYGXVFBUHGA-IBGZPJMESA-N 2 0 333.520 3.217 20 0 EGADRP Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455453 162234061 /nfs/dbraw/zinc/23/40/61/162234061.db2.gz GHQAAAVWBHZIRA-HXUWFJFHSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123270535 162254087 /nfs/dbraw/zinc/25/40/87/162254087.db2.gz HQIUXXMJWBSNEC-GOSISDBHSA-N 2 0 345.531 3.087 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)NCc1ccccc1 ZINC000129181451 162349343 /nfs/dbraw/zinc/34/93/43/162349343.db2.gz SORVAORFHJEDAN-UHFFFAOYSA-N 2 0 343.515 3.080 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248458887 163006942 /nfs/dbraw/zinc/00/69/42/163006942.db2.gz VGZKJVPYRFQEAH-CNDZOEFASA-N 2 0 336.479 3.276 20 0 EGADRP COCCCn1nccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000338946428 163398740 /nfs/dbraw/zinc/39/87/40/163398740.db2.gz JBXHAOSOYQZKEF-UHFFFAOYSA-N 2 0 348.535 3.008 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2ccccc2n1C ZINC000246176155 287022894 /nfs/dbraw/zinc/02/28/94/287022894.db2.gz VVPRFWDZPDGOTM-IXDOHACOSA-N 2 0 344.503 3.113 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000343767872 164030196 /nfs/dbraw/zinc/03/01/96/164030196.db2.gz IAPMVIUQKMNWBE-HBFSDRIKSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@H](Cc1ccccc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343926585 164067886 /nfs/dbraw/zinc/06/78/86/164067886.db2.gz JMVNMMMCWZTXRF-LJQANCHMSA-N 2 0 327.472 3.133 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343967724 164074227 /nfs/dbraw/zinc/07/42/27/164074227.db2.gz GFKKYDQYHGUSDX-UHFFFAOYSA-N 2 0 338.879 3.275 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000343980354 164076467 /nfs/dbraw/zinc/07/64/67/164076467.db2.gz IWDYQTCDEOMCKT-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000346068009 164329724 /nfs/dbraw/zinc/32/97/24/164329724.db2.gz LRCLQEICWQGIIT-HNNXBMFYSA-N 2 0 332.492 3.209 20 0 EGADRP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000352075685 165222123 /nfs/dbraw/zinc/22/21/23/165222123.db2.gz FILZMGXZRLZOLF-HNAYVOBHSA-N 2 0 349.482 3.267 20 0 EGADRP C[S@](=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000355228339 166141779 /nfs/dbraw/zinc/14/17/79/166141779.db2.gz UZXHICUBYJLTIH-DVECYGJZSA-N 2 0 342.508 3.036 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000355405445 166187298 /nfs/dbraw/zinc/18/72/98/166187298.db2.gz AIXZLAITMYNBCZ-IRXDYDNUSA-N 2 0 331.504 3.016 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000355585693 166251048 /nfs/dbraw/zinc/25/10/48/166251048.db2.gz MKVSHQNQEQLQNV-KRWDZBQOSA-N 2 0 339.911 3.181 20 0 EGADRP CC[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000356103074 166399895 /nfs/dbraw/zinc/39/98/95/166399895.db2.gz DNHWSENCLPRXPI-MHJFOBGBSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)[NH+](C)C ZINC000359168545 167086690 /nfs/dbraw/zinc/08/66/90/167086690.db2.gz LZAFEOKEXDZWMB-ABSDTBQOSA-N 2 0 345.531 3.121 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+](C)C ZINC000359168548 167086779 /nfs/dbraw/zinc/08/67/79/167086779.db2.gz LZAFEOKEXDZWMB-FUHIMQAGSA-N 2 0 345.531 3.121 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000360553062 167356090 /nfs/dbraw/zinc/35/60/90/167356090.db2.gz QNQCFUYWAPLTQK-IBGZPJMESA-N 2 0 343.496 3.394 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2cccnc2)C2CCC2)ccn1 ZINC000360663782 167382411 /nfs/dbraw/zinc/38/24/11/167382411.db2.gz LOQZHBWCOJQUNQ-FQEVSTJZSA-N 2 0 340.471 3.048 20 0 EGADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000366919449 168157015 /nfs/dbraw/zinc/15/70/15/168157015.db2.gz CPVPZTORJNYYTJ-CQSZACIVSA-N 2 0 339.361 3.351 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000367375490 168216572 /nfs/dbraw/zinc/21/65/72/168216572.db2.gz TWCLXXQRVNOZQY-GOSISDBHSA-N 2 0 347.503 3.361 20 0 EGADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000367377048 168217039 /nfs/dbraw/zinc/21/70/39/168217039.db2.gz GMYINKDERYTXTR-ZDUSSCGKSA-N 2 0 347.846 3.224 20 0 EGADRP C[N@H+](C/C=C/c1ccc(F)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368051269 168304257 /nfs/dbraw/zinc/30/42/57/168304257.db2.gz LNRZMXLEHITBSQ-WHLIDYPQSA-N 2 0 349.469 3.078 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261855866 287275931 /nfs/dbraw/zinc/27/59/31/287275931.db2.gz NWHHDADVVZXYSC-QZTJIDSGSA-N 2 0 343.515 3.067 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000159158813 225159284 /nfs/dbraw/zinc/15/92/84/225159284.db2.gz LZVGLAPDMJXPHN-IRXDYDNUSA-N 2 0 334.504 3.278 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000159158410 225159507 /nfs/dbraw/zinc/15/95/07/225159507.db2.gz LZVGLAPDMJXPHN-IAGOWNOFSA-N 2 0 334.504 3.278 20 0 EGADRP CNC(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000122118634 222018409 /nfs/dbraw/zinc/01/84/09/222018409.db2.gz FINBTDOPYOODEC-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP Cc1cccc(C)c1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961014 265013990 /nfs/dbraw/zinc/01/39/90/265013990.db2.gz AIZYZQVFAMVQBY-UHFFFAOYSA-N 2 0 346.515 3.259 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000178739378 265339168 /nfs/dbraw/zinc/33/91/68/265339168.db2.gz DWQYUBVBVYZQLO-SFHVURJKSA-N 2 0 347.547 3.400 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](COC)C1CCOCC1 ZINC000187714058 265619506 /nfs/dbraw/zinc/61/95/06/265619506.db2.gz AVTOMSKIQVCCAU-HXUWFJFHSA-N 2 0 334.504 3.060 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193116242 266010828 /nfs/dbraw/zinc/01/08/28/266010828.db2.gz BNGOXONYABGARD-LJQANCHMSA-N 2 0 326.525 3.364 20 0 EGADRP CCN(CCC[NH2+]C1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000223175835 266196898 /nfs/dbraw/zinc/19/68/98/266196898.db2.gz CJIKSJWJMONGTO-UHFFFAOYSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000272592896 266876865 /nfs/dbraw/zinc/87/68/65/266876865.db2.gz SICNKVNSIUJZQV-HNNXBMFYSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000278411408 268007464 /nfs/dbraw/zinc/00/74/64/268007464.db2.gz HREJWPIOKOGZPG-CDHQVMDDSA-N 2 0 334.479 3.492 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(N2CCOCC2)c1 ZINC000278472674 268021766 /nfs/dbraw/zinc/02/17/66/268021766.db2.gz NYRGSDJXSZSSEB-KRWDZBQOSA-N 2 0 343.515 3.048 20 0 EGADRP CN1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489194 268024963 /nfs/dbraw/zinc/02/49/63/268024963.db2.gz BIMZPVJQFWNTRU-ILWGZMRPSA-N 2 0 341.543 3.361 20 0 EGADRP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000340523483 275061406 /nfs/dbraw/zinc/06/14/06/275061406.db2.gz DSFMOGSBUKCKLR-QKNQBKEWSA-N 2 0 344.499 3.127 20 0 EGADRP Cc1ccccc1OCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110234148 275180086 /nfs/dbraw/zinc/18/00/86/275180086.db2.gz YSCJDUTWLNAMNN-UHFFFAOYSA-N 2 0 346.515 3.198 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000111240916 275183019 /nfs/dbraw/zinc/18/30/19/275183019.db2.gz WICHRWKMJCGSHK-HXUWFJFHSA-N 2 0 348.531 3.158 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173876702 275197979 /nfs/dbraw/zinc/19/79/79/275197979.db2.gz JLPBFQVAWGMECH-SFHVURJKSA-N 2 0 332.488 3.272 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173876681 275197983 /nfs/dbraw/zinc/19/79/83/275197983.db2.gz JLPBFQVAWGMECH-GOSISDBHSA-N 2 0 332.488 3.272 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)o1 ZINC000278624104 275260174 /nfs/dbraw/zinc/26/01/74/275260174.db2.gz GLGRCDOBEWJLCQ-KXBFYZLASA-N 2 0 328.456 3.314 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000279648864 275346730 /nfs/dbraw/zinc/34/67/30/275346730.db2.gz BQIIFEKJVVEPSQ-FIRPJDEBSA-N 2 0 346.515 3.120 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000174453255 275625983 /nfs/dbraw/zinc/62/59/83/275625983.db2.gz NSQWTVPVDYAMHR-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000122313058 275753695 /nfs/dbraw/zinc/75/36/95/275753695.db2.gz GXGPXBWYQYJWBE-PXNSSMCTSA-N 2 0 345.531 3.249 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000284308023 275790411 /nfs/dbraw/zinc/79/04/11/275790411.db2.gz LEPMSCBYIQGUMW-YGWPLHOASA-N 2 0 334.504 3.134 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370632919 275983682 /nfs/dbraw/zinc/98/36/82/275983682.db2.gz DWWNSLRWEOECNX-PZJWPPBQSA-N 2 0 347.522 3.151 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000287106309 276084565 /nfs/dbraw/zinc/08/45/65/276084565.db2.gz QHQTZJKWOCUHMB-PZBISTMVSA-N 2 0 347.547 3.395 20 0 EGADRP COC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000287699693 276148434 /nfs/dbraw/zinc/14/84/34/276148434.db2.gz NOESUEPOJLAZFS-INIZCTEOSA-N 2 0 328.859 3.488 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287731609 276151576 /nfs/dbraw/zinc/15/15/76/276151576.db2.gz PEAQFYRMOZOBMU-MRXNPFEDSA-N 2 0 335.455 3.180 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000154497466 276194807 /nfs/dbraw/zinc/19/48/07/276194807.db2.gz KJPIQQCAXPLQGI-NRFANRHFSA-N 2 0 349.538 3.400 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000360050936 276195289 /nfs/dbraw/zinc/19/52/89/276195289.db2.gz CWJXUZNZUYKALD-ZBFHGGJFSA-N 2 0 339.574 3.291 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000261645758 276199287 /nfs/dbraw/zinc/19/92/87/276199287.db2.gz DBSPPULWKWLNCJ-BBWFWOEESA-N 2 0 349.544 3.155 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000153147180 276201753 /nfs/dbraw/zinc/20/17/53/276201753.db2.gz VCKDCLBONMALAE-HNAYVOBHSA-N 2 0 333.907 3.039 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)CCOC)CC1 ZINC000127284100 276203138 /nfs/dbraw/zinc/20/31/38/276203138.db2.gz HDQLPMBRSAKJNA-HOTGVXAUSA-N 2 0 337.483 3.043 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289473644 276344467 /nfs/dbraw/zinc/34/44/67/276344467.db2.gz PRCANMLNFDFOIV-UHFFFAOYSA-N 2 0 341.499 3.201 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(Cl)oc2ccccc21 ZINC000289552816 276356892 /nfs/dbraw/zinc/35/68/92/276356892.db2.gz XVVBCQKGNSMLIJ-UHFFFAOYSA-N 2 0 335.879 3.156 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](COC)C2CC2)CC1 ZINC000127299809 276388038 /nfs/dbraw/zinc/38/80/38/276388038.db2.gz XUTYPZGBRFTHEG-KXBFYZLASA-N 2 0 349.494 3.043 20 0 EGADRP C[C@H](C[NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccc1 ZINC000290204119 276463341 /nfs/dbraw/zinc/46/33/41/276463341.db2.gz PVMWBYHXDAZOMI-QGZVFWFLSA-N 2 0 327.472 3.305 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000342283561 277113631 /nfs/dbraw/zinc/11/36/31/277113631.db2.gz HSCMEYIETXRDAD-KGLIPLIRSA-N 2 0 325.859 3.072 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353585947 277170372 /nfs/dbraw/zinc/17/03/72/277170372.db2.gz ATNVXTGALNMVRA-XUPOMNEHSA-N 2 0 328.500 3.005 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000126659791 278052817 /nfs/dbraw/zinc/05/28/17/278052817.db2.gz WUZGAGBLHYVKSE-FXAWDEMLSA-N 2 0 345.531 3.249 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000113987145 278139023 /nfs/dbraw/zinc/13/90/23/278139023.db2.gz ZVSVKQJSVXYBQE-OBKDMQGPSA-N 2 0 349.563 3.361 20 0 EGADRP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000359661609 278168496 /nfs/dbraw/zinc/16/84/96/278168496.db2.gz OLADCTCNRZAVBK-CQSZACIVSA-N 2 0 344.425 3.044 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C(C)(C)n1cncn1 ZINC000353407509 278261852 /nfs/dbraw/zinc/26/18/52/278261852.db2.gz BRJZCVXEPKKBBP-WMZOPIPTSA-N 2 0 333.524 3.036 20 0 EGADRP C[C@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000351474012 278367876 /nfs/dbraw/zinc/36/78/76/278367876.db2.gz XCVZWDRYJQHMPZ-PZJWPPBQSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264624756 279136686 /nfs/dbraw/zinc/13/66/86/279136686.db2.gz SKPFMJZHFIQBPK-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000154310135 279357339 /nfs/dbraw/zinc/35/73/39/279357339.db2.gz AWCJWDVXKBQJPG-HXUWFJFHSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC000370634067 290018091 /nfs/dbraw/zinc/01/80/91/290018091.db2.gz JQBNCNVEINLBHR-LAUBAEHRSA-N 2 0 341.543 3.385 20 0 EGADRP Cn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000261915239 294239032 /nfs/dbraw/zinc/23/90/32/294239032.db2.gz YQWFYNZEGSOQNC-CTNGQTDRSA-N 2 0 346.478 3.261 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000353515169 295213752 /nfs/dbraw/zinc/21/37/52/295213752.db2.gz HINJUZJMZMZZDE-OAQYLSRUSA-N 2 0 339.483 3.305 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000072518108 307379500 /nfs/dbraw/zinc/37/95/00/307379500.db2.gz ZFLQIICESXHDOA-UHFFFAOYSA-N 2 0 340.556 3.011 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000074319743 307392579 /nfs/dbraw/zinc/39/25/79/307392579.db2.gz ZWYZOVGMMAHOTH-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C ZINC000074831907 307396197 /nfs/dbraw/zinc/39/61/97/307396197.db2.gz NRUUMTRZXXQCSY-UHFFFAOYSA-N 2 0 340.556 3.104 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414083175 309059896 /nfs/dbraw/zinc/05/98/96/309059896.db2.gz VYVZEYUNNDKPKH-IAGOWNOFSA-N 2 0 326.525 3.059 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000414114168 309061748 /nfs/dbraw/zinc/06/17/48/309061748.db2.gz STQMPPRJAWECMY-BQFCYCMXSA-N 2 0 331.504 3.264 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414128021 309062614 /nfs/dbraw/zinc/06/26/14/309062614.db2.gz SSKZVVXBNGXBPI-AEFFLSMTSA-N 2 0 336.907 3.413 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)cc1 ZINC000136178783 307710060 /nfs/dbraw/zinc/71/00/60/307710060.db2.gz PUVZXLMROQWZKR-SFHVURJKSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000414168344 309064378 /nfs/dbraw/zinc/06/43/78/309064378.db2.gz ABXOLRRHJOXZKK-GOEBONIOSA-N 2 0 345.466 3.097 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000414168351 309064453 /nfs/dbraw/zinc/06/44/53/309064453.db2.gz ABXOLRRHJOXZKK-ZBFHGGJFSA-N 2 0 345.466 3.097 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncc(Br)s1 ZINC000414179053 309065058 /nfs/dbraw/zinc/06/50/58/309065058.db2.gz KZWPQZWCMNTBOZ-WDEREUQCSA-N 2 0 332.311 3.288 20 0 EGADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000152590607 307756041 /nfs/dbraw/zinc/75/60/41/307756041.db2.gz NHTIQBJMAZLSTK-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000414186925 309065655 /nfs/dbraw/zinc/06/56/55/309065655.db2.gz PUKQKJMFFOPAKE-WMZOPIPTSA-N 2 0 341.503 3.267 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000154405985 307794030 /nfs/dbraw/zinc/79/40/30/307794030.db2.gz AGAGLKKWKJLICH-OAHLLOKOSA-N 2 0 343.437 3.384 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000163585117 307923319 /nfs/dbraw/zinc/92/33/19/307923319.db2.gz JMWAHNDLYCTRMF-UHFFFAOYSA-N 2 0 331.495 3.064 20 0 EGADRP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000414342591 309074074 /nfs/dbraw/zinc/07/40/74/309074074.db2.gz QCDHHSQAMFEOTK-YMQHIKHWSA-N 2 0 328.500 3.038 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000248413723 308002550 /nfs/dbraw/zinc/00/25/50/308002550.db2.gz LODQXZZRJBYSAF-VOFPXKNKSA-N 2 0 341.543 3.215 20 0 EGADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000248621772 308007645 /nfs/dbraw/zinc/00/76/45/308007645.db2.gz ASBCBBHCTYRZLF-SLFFLAALSA-N 2 0 328.500 3.039 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249117347 308019383 /nfs/dbraw/zinc/01/93/83/308019383.db2.gz OIBNLZUKTHQWRH-HBMCJLEFSA-N 2 0 330.516 3.224 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000414447166 309080771 /nfs/dbraw/zinc/08/07/71/309080771.db2.gz WKSMLUUOYDOPHA-OXQOHEQNSA-N 2 0 342.462 3.236 20 0 EGADRP C[C@H](CCNCc1cnn(CC(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000292967090 308085028 /nfs/dbraw/zinc/08/50/28/308085028.db2.gz KVSXJLJKCKGZDI-OAHLLOKOSA-N 2 0 336.430 3.148 20 0 EGADRP CCc1nc(C(C)C)ccc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000293027233 308091388 /nfs/dbraw/zinc/09/13/88/308091388.db2.gz ITIRQKPDDOJZMY-UHFFFAOYSA-N 2 0 333.520 3.046 20 0 EGADRP Fc1ccc([C@@H](NCCCCC[NH+]2CCCCC2)c2nc[nH]n2)cc1 ZINC000293231860 308111917 /nfs/dbraw/zinc/11/19/17/308111917.db2.gz ATTPHLMYCCIPGG-GOSISDBHSA-N 2 0 345.466 3.279 20 0 EGADRP Oc1cccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000293342080 308122165 /nfs/dbraw/zinc/12/21/65/308122165.db2.gz SGMJOVOYIFEOJQ-UHFFFAOYSA-N 2 0 331.847 3.447 20 0 EGADRP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCC4CCOCC4)C3)C2)cc1 ZINC000293426941 308129665 /nfs/dbraw/zinc/12/96/65/308129665.db2.gz TYKOPHKVSMBXJI-OAQYLSRUSA-N 2 0 328.500 3.401 20 0 EGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293560612 308141881 /nfs/dbraw/zinc/14/18/81/308141881.db2.gz XKMRDJUQBXWKNW-CQSZACIVSA-N 2 0 331.504 3.348 20 0 EGADRP O=C1COc2ccc(C[NH2+]CCCCCCC[NH+]3CCCC3)cc2N1 ZINC000293597006 308145088 /nfs/dbraw/zinc/14/50/88/308145088.db2.gz KVPDAQKHRRTDPF-UHFFFAOYSA-N 2 0 345.487 3.153 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000294056549 308186361 /nfs/dbraw/zinc/18/63/61/308186361.db2.gz JSOYKWKEUYGKFC-UHFFFAOYSA-N 2 0 329.532 3.461 20 0 EGADRP C[C@@H](O)C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294358700 308213871 /nfs/dbraw/zinc/21/38/71/308213871.db2.gz ZVDPAVMRYFJDPD-IEBWSBKVSA-N 2 0 339.483 3.195 20 0 EGADRP [NH3+]C1(c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)CCC1 ZINC000414631780 309092658 /nfs/dbraw/zinc/09/26/58/309092658.db2.gz XRHPWYVZIPEFFK-AWEZNQCLSA-N 2 0 348.397 3.032 20 0 EGADRP COc1ccc(C[C@H](C)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC000414653753 309093730 /nfs/dbraw/zinc/09/37/30/309093730.db2.gz IGFJCCZTAPFYDI-HNAYVOBHSA-N 2 0 334.479 3.477 20 0 EGADRP CC[C@H]([NH3+])CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414706049 309096338 /nfs/dbraw/zinc/09/63/38/309096338.db2.gz GBKCWEPUTHOCFM-INIZCTEOSA-N 2 0 332.492 3.310 20 0 EGADRP CCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](CC)c1ccccc1 ZINC000414673179 309094895 /nfs/dbraw/zinc/09/48/95/309094895.db2.gz IPPWLZDSRHAYKM-IEBWSBKVSA-N 2 0 331.504 3.047 20 0 EGADRP COc1ccc(Br)cc1C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414675233 309094948 /nfs/dbraw/zinc/09/49/48/309094948.db2.gz FLRTXSSQNCDYRM-STQMWFEESA-N 2 0 341.293 3.278 20 0 EGADRP C[C@H]1C[C@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000414719113 309097417 /nfs/dbraw/zinc/09/74/17/309097417.db2.gz XIWCFZBFXYBAGD-NWDGAFQWSA-N 2 0 341.268 3.334 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414738026 309098144 /nfs/dbraw/zinc/09/81/44/309098144.db2.gz AXLVZWAIOMQHCV-SZMVWBNQSA-N 2 0 326.488 3.197 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](CCCOc2ccccc2)C2CCOCC2)CC[NH2+]1 ZINC000414754568 309099026 /nfs/dbraw/zinc/09/90/26/309099026.db2.gz GHTNLNKLZCBIGM-MOPGFXCFSA-N 2 0 346.515 3.325 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000414777918 309100390 /nfs/dbraw/zinc/10/03/90/309100390.db2.gz IPRLGKWZGCQIEI-QZTJIDSGSA-N 2 0 338.499 3.217 20 0 EGADRP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782880 309100766 /nfs/dbraw/zinc/10/07/66/309100766.db2.gz PFOKCTFTJLRWBC-DLBZAZTESA-N 2 0 326.488 3.268 20 0 EGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414782698 309100799 /nfs/dbraw/zinc/10/07/99/309100799.db2.gz OREAKVMSTAWSCH-DLBZAZTESA-N 2 0 344.890 3.347 20 0 EGADRP c1cnc(Oc2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414784597 309100992 /nfs/dbraw/zinc/10/09/92/309100992.db2.gz RMNGMJCIGSVXBB-ROUUACIJSA-N 2 0 338.455 3.090 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787680 309101199 /nfs/dbraw/zinc/10/11/99/309101199.db2.gz VTSMUDLMENTIAT-IAGOWNOFSA-N 2 0 342.462 3.141 20 0 EGADRP CC[NH+]1CCN(c2ccccc2CNc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414797115 309102041 /nfs/dbraw/zinc/10/20/41/309102041.db2.gz AXGQZOJTVLVCOU-KRWDZBQOSA-N 2 0 338.499 3.460 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414802422 309102438 /nfs/dbraw/zinc/10/24/38/309102438.db2.gz BLGCQSLFEOIPLF-CYBMUJFWSA-N 2 0 325.884 3.473 20 0 EGADRP CCOc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)ccc1O ZINC000298553830 308624249 /nfs/dbraw/zinc/62/42/49/308624249.db2.gz VBFOPIUBEDVLEW-UHFFFAOYSA-N 2 0 344.455 3.021 20 0 EGADRP COc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000298560870 308624720 /nfs/dbraw/zinc/62/47/20/308624720.db2.gz VYVCHBFZOYZZBG-UHFFFAOYSA-N 2 0 329.419 3.030 20 0 EGADRP Cc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000298589708 308626500 /nfs/dbraw/zinc/62/65/00/308626500.db2.gz YINUUDMZBHDVHX-NRFANRHFSA-N 2 0 327.516 3.348 20 0 EGADRP COc1c(Br)cccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414815035 309103426 /nfs/dbraw/zinc/10/34/26/309103426.db2.gz ZUXZYCMYZKDDCC-SMDDNHRTSA-N 2 0 327.266 3.065 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000298994627 308653444 /nfs/dbraw/zinc/65/34/44/308653444.db2.gz NYWYWGVJTJYKGQ-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP COc1cc(C[NH2+]CCCC[NH+](C)C)ccc1OCc1ccncc1 ZINC000299300900 308669139 /nfs/dbraw/zinc/66/91/39/308669139.db2.gz AKHQALVJWWZLPR-UHFFFAOYSA-N 2 0 343.471 3.101 20 0 EGADRP Fc1ccc(COc2cccc(C[NH2+]CC[C@H]3CC[NH2+]C3)c2)cc1 ZINC000414836544 309104659 /nfs/dbraw/zinc/10/46/59/309104659.db2.gz SVWJGNLXXKQKPE-MRXNPFEDSA-N 2 0 328.431 3.494 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000327374823 308771436 /nfs/dbraw/zinc/77/14/36/308771436.db2.gz DHPPIMHMYIBXKR-QGZVFWFLSA-N 2 0 341.455 3.176 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000327632584 308771602 /nfs/dbraw/zinc/77/16/02/308771602.db2.gz ZMUJDJAPXRAEPM-KUHUBIRLSA-N 2 0 341.455 3.031 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343848567 308881758 /nfs/dbraw/zinc/88/17/58/308881758.db2.gz FEXRQWGRWHOKLF-WDEREUQCSA-N 2 0 339.427 3.169 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412388993 308984143 /nfs/dbraw/zinc/98/41/43/308984143.db2.gz FEFRIOJAEHTILH-GOSISDBHSA-N 2 0 343.515 3.229 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2cc1OC ZINC000413191399 309020662 /nfs/dbraw/zinc/02/06/62/309020662.db2.gz GUDRSKDBCBCWND-RHSMWYFYSA-N 2 0 341.455 3.173 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414903399 309108419 /nfs/dbraw/zinc/10/84/19/309108419.db2.gz IJCVJKWTENKIIB-XJKSGUPXSA-N 2 0 325.294 3.359 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910451 309108712 /nfs/dbraw/zinc/10/87/12/309108712.db2.gz VOBZAKQFMPMFAU-BXUZGUMPSA-N 2 0 329.257 3.251 20 0 EGADRP Cn1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414912137 309108938 /nfs/dbraw/zinc/10/89/38/309108938.db2.gz VAVMQRDALWLLKS-GOSISDBHSA-N 2 0 332.879 3.220 20 0 EGADRP Fc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cs2)cc1 ZINC000415002488 309113660 /nfs/dbraw/zinc/11/36/60/309113660.db2.gz NMNUTSICKMVFGJ-DLBZAZTESA-N 2 0 331.460 3.427 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000415025323 309115041 /nfs/dbraw/zinc/11/50/41/309115041.db2.gz PTTOHWCPALYMNJ-HAQNSBGRSA-N 2 0 327.266 3.009 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415033123 309115626 /nfs/dbraw/zinc/11/56/26/309115626.db2.gz IOYHJIJMUMCJHH-NVXWUHKLSA-N 2 0 326.488 3.387 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000415056286 309117111 /nfs/dbraw/zinc/11/71/11/309117111.db2.gz PSUWOMPULZLBNX-LULLPPNCSA-N 2 0 332.488 3.424 20 0 EGADRP Cc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)ccc1-n1cncn1 ZINC000415062176 309117660 /nfs/dbraw/zinc/11/76/60/309117660.db2.gz ZZIZEFHBTHHUNO-LJQANCHMSA-N 2 0 335.455 3.146 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@H](C)C[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066770 309117849 /nfs/dbraw/zinc/11/78/49/309117849.db2.gz AXGQDOMOMXYWSC-MSOLQXFVSA-N 2 0 330.520 3.079 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000415070859 309118324 /nfs/dbraw/zinc/11/83/24/309118324.db2.gz RIXJVQCYYZEEGV-UHFFFAOYSA-N 2 0 339.886 3.175 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415076131 309118435 /nfs/dbraw/zinc/11/84/35/309118435.db2.gz CLVZBNMSIDTHQL-GBESFXJTSA-N 2 0 332.488 3.031 20 0 EGADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000415077118 309118640 /nfs/dbraw/zinc/11/86/40/309118640.db2.gz DVKHJFCAZPAPJE-NSHDSACASA-N 2 0 329.257 3.108 20 0 EGADRP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000415081981 309119086 /nfs/dbraw/zinc/11/90/86/309119086.db2.gz LMOKQIAIIWPEPF-VNQPRFMTSA-N 2 0 336.863 3.122 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000415106037 309120670 /nfs/dbraw/zinc/12/06/70/309120670.db2.gz JBWIEKCSLXPBBN-RTBURBONSA-N 2 0 334.529 3.138 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000415110561 309120977 /nfs/dbraw/zinc/12/09/77/309120977.db2.gz POCPEVLXBARSAI-SOUYRJQWSA-N 2 0 336.426 3.196 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CC(Cc2ccccc2)Cc2ccccc2)CCCO1 ZINC000415117475 309121482 /nfs/dbraw/zinc/12/14/82/309121482.db2.gz ZJHSGBQTRFXWMC-JOCHJYFZSA-N 2 0 338.495 3.138 20 0 EGADRP COc1cccc(Cl)c1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415118907 309121589 /nfs/dbraw/zinc/12/15/89/309121589.db2.gz DRSZIIQRJXWLPQ-KDOFPFPSSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)COc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415124005 309122002 /nfs/dbraw/zinc/12/20/02/309122002.db2.gz LYKCLEHYJQHBKF-FPOVZHCZSA-N 2 0 346.515 3.440 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000415132706 309122829 /nfs/dbraw/zinc/12/28/29/309122829.db2.gz UJNCCZCZGQBAFK-QZTJIDSGSA-N 2 0 338.879 3.067 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1C[NH3+] ZINC000415135496 309123115 /nfs/dbraw/zinc/12/31/15/309123115.db2.gz WSDPNQIBHRIYGG-WMZOPIPTSA-N 2 0 325.456 3.077 20 0 EGADRP CCCCn1ccnc1-c1cccc(NC(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415293672 309130127 /nfs/dbraw/zinc/13/01/27/309130127.db2.gz MOXCNNRGTNVSRN-KRWDZBQOSA-N 2 0 341.459 3.224 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000415903809 309147237 /nfs/dbraw/zinc/14/72/37/309147237.db2.gz QTISYKRIKNLEJO-MRXNPFEDSA-N 2 0 332.492 3.182 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[NH2+]C)c1 ZINC000415906376 309147455 /nfs/dbraw/zinc/14/74/55/309147455.db2.gz XOOUQRAMIRZAHE-UHFFFAOYSA-N 2 0 340.471 3.179 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000415917908 309148576 /nfs/dbraw/zinc/14/85/76/309148576.db2.gz JYJIKWAZMMQQBO-HOTGVXAUSA-N 2 0 346.519 3.284 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000415931294 309149559 /nfs/dbraw/zinc/14/95/59/309149559.db2.gz KGZRPHMLFOAYMH-INIZCTEOSA-N 2 0 332.492 3.040 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415932039 309149622 /nfs/dbraw/zinc/14/96/22/309149622.db2.gz NJPWPPXLTVNFPV-CALCHBBNSA-N 2 0 346.519 3.286 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000415959927 309151307 /nfs/dbraw/zinc/15/13/07/309151307.db2.gz PSGNGSHWTWUORH-UHFFFAOYSA-N 2 0 338.455 3.063 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000415959753 309151379 /nfs/dbraw/zinc/15/13/79/309151379.db2.gz PMDONKPECGAFNQ-KXBFYZLASA-N 2 0 340.471 3.267 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416160403 309161392 /nfs/dbraw/zinc/16/13/92/309161392.db2.gz XZUMRFUHVLBMJL-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)N1CC[NH+](C)CC1 ZINC000417322820 309201531 /nfs/dbraw/zinc/20/15/31/309201531.db2.gz NFHZIPBRGPXFID-FJIDUMEYSA-N 2 0 335.561 3.102 20 0 EGADRP CCC(CC)(CNC(=O)N(C)C1CC([NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417708371 309219093 /nfs/dbraw/zinc/21/90/93/309219093.db2.gz RSTXFLOWUQSUEY-FAEJEUNOSA-N 2 0 346.519 3.027 20 0 EGADRP CCn1cncc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000417869494 309225900 /nfs/dbraw/zinc/22/59/00/309225900.db2.gz LJPSVXGBYGCIKQ-QGZVFWFLSA-N 2 0 326.488 3.425 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000418661796 309252809 /nfs/dbraw/zinc/25/28/09/309252809.db2.gz QSKZEORTAFDARH-LJQANCHMSA-N 2 0 348.535 3.227 20 0 EGADRP CN(C)c1ncc(C[NH2+]C/C=C\c2ccc(Br)cc2)n1C ZINC000419714227 309271299 /nfs/dbraw/zinc/27/12/99/309271299.db2.gz SXDJNWJRIPMIFS-PLNGDYQASA-N 2 0 349.276 3.052 20 0 EGADRP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000420296365 309279998 /nfs/dbraw/zinc/27/99/98/309279998.db2.gz BQEULOCMLHOYPF-XPGWFJOJSA-N 2 0 330.447 3.140 20 0 EGADRP COc1cccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C2CCC(O)CC2)c1 ZINC000420299533 309280109 /nfs/dbraw/zinc/28/01/09/309280109.db2.gz IXLFGZJPSNEFOK-KKXNLOMOSA-N 2 0 346.515 3.190 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc2ccccc2OC)cc1 ZINC000420299843 309280133 /nfs/dbraw/zinc/28/01/33/309280133.db2.gz JOEONXUVJCULCU-LPHOPBHVSA-N 2 0 342.483 3.309 20 0 EGADRP COc1ccc(CC[C@H]2CCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000420300379 309280144 /nfs/dbraw/zinc/28/01/44/309280144.db2.gz KFAFHQYAXIMDLZ-RBUKOAKNSA-N 2 0 346.515 3.491 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)Cc2ccccc2OC)cc1 ZINC000420299847 309280203 /nfs/dbraw/zinc/28/02/03/309280203.db2.gz JOEONXUVJCULCU-VQIMIIECSA-N 2 0 342.483 3.309 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](c2ncccc2C)C(C)C)cc1 ZINC000420319612 309281863 /nfs/dbraw/zinc/28/18/63/309281863.db2.gz PHVHHYIGFROGHQ-IEBWSBKVSA-N 2 0 327.472 3.428 20 0 EGADRP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330562 309282485 /nfs/dbraw/zinc/28/24/85/309282485.db2.gz AUSRNHVGWBZSGS-ZWKOTPCHSA-N 2 0 325.456 3.472 20 0 EGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420331106 309282561 /nfs/dbraw/zinc/28/25/61/309282561.db2.gz BOAZGKKXQRSGPU-MSOLQXFVSA-N 2 0 337.467 3.100 20 0 EGADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420332904 309282725 /nfs/dbraw/zinc/28/27/25/309282725.db2.gz NNRHDJUFXOJLPM-JLZZUVOBSA-N 2 0 340.414 3.177 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339516 309283182 /nfs/dbraw/zinc/28/31/82/309283182.db2.gz LXJQPPSVFATALD-HOTGVXAUSA-N 2 0 347.528 3.059 20 0 EGADRP Fc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420338393 309283205 /nfs/dbraw/zinc/28/32/05/309283205.db2.gz XXRIUGMJGIHDMY-CVEARBPZSA-N 2 0 329.419 3.302 20 0 EGADRP FC(F)(F)c1csc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420359848 309284218 /nfs/dbraw/zinc/28/42/18/309284218.db2.gz KYDCVLSUOXAVDH-NWDGAFQWSA-N 2 0 333.423 3.341 20 0 EGADRP CC(C)(C)[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420363545 309284368 /nfs/dbraw/zinc/28/43/68/309284368.db2.gz BMPYAILGVMHTJB-UFYCRDLUSA-N 2 0 326.484 3.294 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420387562 309285646 /nfs/dbraw/zinc/28/56/46/309285646.db2.gz KJMVZUKGUXFBNZ-VQTJNVASSA-N 2 0 346.515 3.291 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCc3c(F)cccc3Cl)CC2)C1 ZINC000420389614 309285873 /nfs/dbraw/zinc/28/58/73/309285873.db2.gz MHBRUJQAUNJPCX-KBXCAEBGSA-N 2 0 340.870 3.240 20 0 EGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)nn1 ZINC000420390933 309285999 /nfs/dbraw/zinc/28/59/99/309285999.db2.gz ZZLFYWHAKASUIE-FQEVSTJZSA-N 2 0 349.482 3.160 20 0 EGADRP Cc1nc([C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000420404271 309286720 /nfs/dbraw/zinc/28/67/20/309286720.db2.gz MQCPCJHPYAOIMF-CYBMUJFWSA-N 2 0 349.862 3.150 20 0 EGADRP COC1([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398885 309322823 /nfs/dbraw/zinc/32/28/23/309322823.db2.gz GWHIJZLRXNZZEX-HBFSDRIKSA-N 2 0 346.515 3.071 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818466 309341382 /nfs/dbraw/zinc/34/13/82/309341382.db2.gz AYBGHLFDWLKSOD-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000421827841 309341971 /nfs/dbraw/zinc/34/19/71/309341971.db2.gz ZUCGYQMLTXVFQA-HNNXBMFYSA-N 2 0 341.902 3.027 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421890740 309345250 /nfs/dbraw/zinc/34/52/50/309345250.db2.gz YGWNXQAOOSFHGK-SOAGJPPSSA-N 2 0 341.503 3.180 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@H]1C[NH3+] ZINC000422563678 309361766 /nfs/dbraw/zinc/36/17/66/309361766.db2.gz UGVSVCPYCBWWJA-HNAWSFBYSA-N 2 0 332.488 3.050 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000422563646 309361835 /nfs/dbraw/zinc/36/18/35/309361835.db2.gz UAQXMHQLQLPTAP-UWVAXJGDSA-N 2 0 339.483 3.466 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@H](C)CCCC[NH3+])ccn2)cc1 ZINC000422694487 309363381 /nfs/dbraw/zinc/36/33/81/309363381.db2.gz OGVSUHPFGBYETR-OAHLLOKOSA-N 2 0 329.444 3.490 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn1 ZINC000422691771 309363387 /nfs/dbraw/zinc/36/33/87/309363387.db2.gz IYCWKBXJROXHCZ-LSDHHAIUSA-N 2 0 329.444 3.488 20 0 EGADRP CC[NH+](CC)[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422699673 309363499 /nfs/dbraw/zinc/36/34/99/309363499.db2.gz AYAFLOKLORXEEK-GUYCJALGSA-N 2 0 343.437 3.286 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000422698380 309363565 /nfs/dbraw/zinc/36/35/65/309363565.db2.gz ZAAOLKIVXBJMEU-IRXDYDNUSA-N 2 0 341.455 3.490 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422701257 309363734 /nfs/dbraw/zinc/36/37/34/309363734.db2.gz CZJMZCOGPPTQAJ-VXGBXAGGSA-N 2 0 326.366 3.107 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422726328 309365294 /nfs/dbraw/zinc/36/52/94/309365294.db2.gz DOTIJOMEYMKKJM-YOEHRIQHSA-N 2 0 343.437 3.387 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422734792 309365903 /nfs/dbraw/zinc/36/59/03/309365903.db2.gz CTQXHERYJJREQQ-YUXAGFNASA-N 2 0 337.511 3.199 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(C)c2C)CC[NH2+]CC1 ZINC000422748263 309366394 /nfs/dbraw/zinc/36/63/94/309366394.db2.gz SWACFMVARCLJBM-SJORKVTESA-N 2 0 332.488 3.275 20 0 EGADRP C[C@@H]([NH2+]C1(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422765916 309367205 /nfs/dbraw/zinc/36/72/05/309367205.db2.gz PVGUMCCIJYNOQZ-GGPKGHCWSA-N 2 0 345.531 3.007 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774359 309367674 /nfs/dbraw/zinc/36/76/74/309367674.db2.gz WSEXBURWTUTDRE-YFVAEKQCSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@H+](C)Cc1ccccc1 ZINC000422783388 309368106 /nfs/dbraw/zinc/36/81/06/309368106.db2.gz KXXBEJOQYGCGPX-NQIIRXRSSA-N 2 0 325.500 3.057 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422782068 309368159 /nfs/dbraw/zinc/36/81/59/309368159.db2.gz MQNDEZCZYIKSRC-GBESFXJTSA-N 2 0 332.488 3.147 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422796672 309368836 /nfs/dbraw/zinc/36/88/36/309368836.db2.gz KESXNWLIUVHMNL-PCCBWWKXSA-N 2 0 338.499 3.332 20 0 EGADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccc(Br)cc1 ZINC000422797288 309368932 /nfs/dbraw/zinc/36/89/32/309368932.db2.gz LVDGAEPWQGBUJL-OPFPJEHXSA-N 2 0 341.293 3.324 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000422803697 309369233 /nfs/dbraw/zinc/36/92/33/309369233.db2.gz GFZUYNQOBXKKKN-HUUCEWRRSA-N 2 0 335.455 3.446 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000422818408 309370221 /nfs/dbraw/zinc/37/02/21/309370221.db2.gz KIOJMCJQPKVPAT-CEXWTWQISA-N 2 0 328.504 3.082 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422830026 309370634 /nfs/dbraw/zinc/37/06/34/309370634.db2.gz QORAOTVMBXDJRV-GNCDUGFZSA-N 2 0 340.414 3.007 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422838768 309371156 /nfs/dbraw/zinc/37/11/56/309371156.db2.gz XZMKFZWJSCZMBS-NYVOZVTQSA-N 2 0 337.511 3.199 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422841881 309371240 /nfs/dbraw/zinc/37/12/40/309371240.db2.gz XARKDQAGEKJLNL-RXVVDRJESA-N 3 0 331.548 3.293 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843062 309371551 /nfs/dbraw/zinc/37/15/51/309371551.db2.gz GUVNJEGMDDPPDF-RXVVDRJESA-N 2 0 338.495 3.283 20 0 EGADRP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423350267 309396544 /nfs/dbraw/zinc/39/65/44/309396544.db2.gz XDHORTWIFNOHDJ-XPTSAGLGSA-N 2 0 329.669 3.289 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422878684 309373478 /nfs/dbraw/zinc/37/34/78/309373478.db2.gz JPAMLSYJIHDWID-LVCYWYKZSA-N 3 0 329.532 3.396 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422880574 309373739 /nfs/dbraw/zinc/37/37/39/309373739.db2.gz OMGVIIJNMOFXRP-KYJSFNMBSA-N 2 0 335.923 3.452 20 0 EGADRP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422881914 309373842 /nfs/dbraw/zinc/37/38/42/309373842.db2.gz ZOIQEFYSKCCFGO-NZSAHSFTSA-N 2 0 334.504 3.406 20 0 EGADRP CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422883978 309374040 /nfs/dbraw/zinc/37/40/40/309374040.db2.gz WDJXMZJCOWPFSM-GJYPPUQNSA-N 2 0 346.519 3.109 20 0 EGADRP CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422883980 309374169 /nfs/dbraw/zinc/37/41/69/309374169.db2.gz WDJXMZJCOWPFSM-MDZRGWNJSA-N 2 0 346.519 3.109 20 0 EGADRP Cc1nc(C)c(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422891323 309374391 /nfs/dbraw/zinc/37/43/91/309374391.db2.gz VDZLRMCSBRVWBD-VQIMIIECSA-N 2 0 343.496 3.148 20 0 EGADRP c1ccc(SC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422902474 309375269 /nfs/dbraw/zinc/37/52/69/309375269.db2.gz DHVXTPJLLNCSQI-FGTMMUONSA-N 2 0 332.513 3.058 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901793 309375280 /nfs/dbraw/zinc/37/52/80/309375280.db2.gz CJIJZEFFXGIINW-OWQGQXMQSA-N 2 0 339.886 3.161 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912127 309375703 /nfs/dbraw/zinc/37/57/03/309375703.db2.gz VMVIXDYATQHORY-NVXWUHKLSA-N 2 0 332.536 3.400 20 0 EGADRP COc1ccc(C[C@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccccc2)cc1OC ZINC000422910903 309375873 /nfs/dbraw/zinc/37/58/73/309375873.db2.gz RUVHVJMRJCJYLY-BEFAXECRSA-N 2 0 340.467 3.185 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422945252 309377550 /nfs/dbraw/zinc/37/75/50/309377550.db2.gz NGDRIGBVICCMNW-ZBFHGGJFSA-N 2 0 344.528 3.243 20 0 EGADRP CC(C)(C)c1ccccc1OCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422954509 309377875 /nfs/dbraw/zinc/37/78/75/309377875.db2.gz HRLDOESENDGQTQ-BHIYHBOVSA-N 2 0 346.515 3.110 20 0 EGADRP COC(=O)CC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422957139 309378083 /nfs/dbraw/zinc/37/80/83/309378083.db2.gz MRXWCMDXCKDJEW-DNVCBOLYSA-N 2 0 341.455 3.194 20 0 EGADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCCC2)c1 ZINC000422967421 309378765 /nfs/dbraw/zinc/37/87/65/309378765.db2.gz TUJBJZNBANXCES-MANSERQUSA-N 2 0 331.504 3.317 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965958 309378822 /nfs/dbraw/zinc/37/88/22/309378822.db2.gz QIIQJSXFENYSNW-OXJNMPFZSA-N 2 0 326.488 3.488 20 0 EGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C3C[NH2+]C3)s2)cc1 ZINC000422982512 309379578 /nfs/dbraw/zinc/37/95/78/309379578.db2.gz QYAGMRXIQIJCAA-RYUDHWBXSA-N 2 0 331.485 3.386 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423022732 309381575 /nfs/dbraw/zinc/38/15/75/309381575.db2.gz IITVJVOMHMFTHL-DOSUHQCWSA-N 2 0 344.499 3.426 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000423028266 309381738 /nfs/dbraw/zinc/38/17/38/309381738.db2.gz SMLMLMNYJLICRU-JCHJZTRSSA-N 2 0 346.515 3.393 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cncc(F)c1 ZINC000423029828 309381804 /nfs/dbraw/zinc/38/18/04/309381804.db2.gz IRBXCPSNTUTNNT-BOFPYLFWSA-N 2 0 327.403 3.127 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029210 309381874 /nfs/dbraw/zinc/38/18/74/309381874.db2.gz HRYRLGCHVQRKEO-NHYWBVRUSA-N 2 0 336.277 3.190 20 0 EGADRP C[C@H](CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCCCC1 ZINC000423035678 309382253 /nfs/dbraw/zinc/38/22/53/309382253.db2.gz SGOKMHWKXVSHCZ-YFVAEKQCSA-N 2 0 343.515 3.096 20 0 EGADRP CN(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423047236 309382917 /nfs/dbraw/zinc/38/29/17/309382917.db2.gz GVRRHCFHUJLZKW-HYVNUMGLSA-N 2 0 343.437 3.415 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO[C@@H]1C1CC1 ZINC000423050365 309383240 /nfs/dbraw/zinc/38/32/40/309383240.db2.gz LRKZATNHKLAMGG-CWJKEVGVSA-N 2 0 342.483 3.037 20 0 EGADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423057323 309383540 /nfs/dbraw/zinc/38/35/40/309383540.db2.gz HAMBTWLNWRYICG-CZPYZCIJSA-N 2 0 330.394 3.151 20 0 EGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@H](C)CCCC[NH3+])c2)n1 ZINC000423072586 309384548 /nfs/dbraw/zinc/38/45/48/309384548.db2.gz JROJEQSQJPAKJF-CYBMUJFWSA-N 2 0 347.484 3.204 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1OC(F)F ZINC000423076843 309384594 /nfs/dbraw/zinc/38/45/94/309384594.db2.gz ZYARAHDIOISEGL-PBHICJAKSA-N 2 0 334.410 3.379 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423084094 309385148 /nfs/dbraw/zinc/38/51/48/309385148.db2.gz HGSXSAMPCBTEMB-PPXMBRMGSA-N 2 0 330.516 3.443 20 0 EGADRP COC1CCC(C)(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423090092 309385376 /nfs/dbraw/zinc/38/53/76/309385376.db2.gz WUEUUNDYWDPKQT-YBKKDXPLSA-N 2 0 344.499 3.427 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC(c2ccccc2)C1 ZINC000423088912 309385439 /nfs/dbraw/zinc/38/54/39/309385439.db2.gz RGHFLVZMDFISPN-YJHRCYQXSA-N 2 0 342.527 3.443 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000423094010 309385546 /nfs/dbraw/zinc/38/55/46/309385546.db2.gz IXQDXHIFDQDQRO-PWSUYJOCSA-N 2 0 349.276 3.418 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423097922 309385886 /nfs/dbraw/zinc/38/58/86/309385886.db2.gz BRMXVRHUZDWUSU-PKOBYXMFSA-N 2 0 325.456 3.268 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116548 309386812 /nfs/dbraw/zinc/38/68/12/309386812.db2.gz QJJVYCCIDLDCGV-JIRNRHONSA-N 2 0 327.516 3.160 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423125137 309387279 /nfs/dbraw/zinc/38/72/79/309387279.db2.gz NASZPMDNFQSFEG-SXLOBPIMSA-N 2 0 333.520 3.184 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423129139 309387422 /nfs/dbraw/zinc/38/74/22/309387422.db2.gz DTQQCBBBIRGZDC-HNKHHVNMSA-N 2 0 330.394 3.065 20 0 EGADRP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423146662 309388392 /nfs/dbraw/zinc/38/83/92/309388392.db2.gz PWTGKYHKWJMEMD-NZMUHZMNSA-N 2 0 334.891 3.333 20 0 EGADRP Clc1ccc([C@H]2CCC[C@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423182986 309389482 /nfs/dbraw/zinc/38/94/82/309389482.db2.gz KSCOMDWECFYBJJ-HKUYNNGSSA-N 2 0 335.923 3.251 20 0 EGADRP [NH3+]C1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000423212679 309390635 /nfs/dbraw/zinc/39/06/35/309390635.db2.gz JAPGGGITUYRWOX-FDZGAKKTSA-N 2 0 327.241 3.435 20 0 EGADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423217569 309390804 /nfs/dbraw/zinc/39/08/04/309390804.db2.gz QHOFLGNIWWIRFT-IDGBJLRDSA-N 3 0 329.532 3.407 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423232573 309391607 /nfs/dbraw/zinc/39/16/07/309391607.db2.gz INUXZTMXUMSNPS-WOZUAGRISA-N 3 0 327.516 3.019 20 0 EGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423252867 309392270 /nfs/dbraw/zinc/39/22/70/309392270.db2.gz UYMVLTKXHKSIFE-DOMZBBRYSA-N 2 0 339.277 3.252 20 0 EGADRP Brc1ccccc1C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000423250850 309392319 /nfs/dbraw/zinc/39/23/19/309392319.db2.gz RBPQJPVLSDPVCN-CXAGYDPISA-N 2 0 337.305 3.359 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423259591 309392745 /nfs/dbraw/zinc/39/27/45/309392745.db2.gz OLJRQSNOXPMJHZ-GJZGRUSLSA-N 2 0 330.476 3.011 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423280961 309393775 /nfs/dbraw/zinc/39/37/75/309393775.db2.gz VBEMNARVNSRGDR-PBHICJAKSA-N 2 0 332.879 3.142 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292798 309394265 /nfs/dbraw/zinc/39/42/65/309394265.db2.gz OLVGUTMRWXQCBJ-HZPDHXFCSA-N 2 0 339.483 3.236 20 0 EGADRP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423300610 309394529 /nfs/dbraw/zinc/39/45/29/309394529.db2.gz SAUXCFGSCDGXDK-JSXRDJHFSA-N 2 0 329.532 3.394 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423313596 309394796 /nfs/dbraw/zinc/39/47/96/309394796.db2.gz WZLHLPRYBOSWFM-RDJZCZTQSA-N 2 0 345.512 3.193 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000423318941 309394895 /nfs/dbraw/zinc/39/48/95/309394895.db2.gz ZRDYKNUQDKZKQE-INIZCTEOSA-N 2 0 337.467 3.232 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000423320123 309394987 /nfs/dbraw/zinc/39/49/87/309394987.db2.gz DCFVMCJXIAHAKT-JTDSTZFVSA-N 2 0 329.488 3.388 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H](C)[NH3+] ZINC000423324727 309395149 /nfs/dbraw/zinc/39/51/49/309395149.db2.gz IFSOVTWRWOVUIU-XLIONFOSSA-N 2 0 345.531 3.154 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423321542 309395205 /nfs/dbraw/zinc/39/52/05/309395205.db2.gz GIRLJWDGLPYUFZ-LJQANCHMSA-N 2 0 345.531 3.341 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000423325973 309395346 /nfs/dbraw/zinc/39/53/46/309395346.db2.gz KGVAWVRACFWKRG-CYBMUJFWSA-N 2 0 347.894 3.269 20 0 EGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423328975 309395526 /nfs/dbraw/zinc/39/55/26/309395526.db2.gz AZYDBSXQNZLZLM-HNNXBMFYSA-N 2 0 337.261 3.172 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+](C)C)cc1 ZINC000423340440 309395864 /nfs/dbraw/zinc/39/58/64/309395864.db2.gz JQHDZAWAASEMOO-DNVCBOLYSA-N 2 0 325.456 3.047 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccsc1 ZINC000423339760 309395981 /nfs/dbraw/zinc/39/59/81/309395981.db2.gz WWXZMFAPJFLRBL-HOTGVXAUSA-N 2 0 337.533 3.025 20 0 EGADRP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]CC1 ZINC000423336503 309395998 /nfs/dbraw/zinc/39/59/98/309395998.db2.gz SWRGTIWPMPCEPJ-NJDAHSKKSA-N 3 0 341.543 3.266 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423341887 309396212 /nfs/dbraw/zinc/39/62/12/309396212.db2.gz KNJWCZOPIMBHHH-HNNXBMFYSA-N 2 0 337.261 3.172 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H](C)[NH3+] ZINC000423346574 309396416 /nfs/dbraw/zinc/39/64/16/309396416.db2.gz YRJCJMMYAYGIMH-VQIMIIECSA-N 2 0 331.504 3.476 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423369466 309397406 /nfs/dbraw/zinc/39/74/06/309397406.db2.gz CGQNWSSUPHEGRW-LPHOPBHVSA-N 2 0 343.515 3.106 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000423371683 309397555 /nfs/dbraw/zinc/39/75/55/309397555.db2.gz AQBCNNODXUHPSC-CABCVRRESA-N 2 0 349.828 3.217 20 0 EGADRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000423371688 309397594 /nfs/dbraw/zinc/39/75/94/309397594.db2.gz AQBCNNODXUHPSC-GJZGRUSLSA-N 2 0 349.828 3.217 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423373500 309397648 /nfs/dbraw/zinc/39/76/48/309397648.db2.gz HPXUFTMBDGIPGL-YJBOKZPZSA-N 2 0 349.544 3.102 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423375055 309397796 /nfs/dbraw/zinc/39/77/96/309397796.db2.gz IQDGIUOKYQPCGN-HNAYVOBHSA-N 2 0 330.472 3.282 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423383598 309397876 /nfs/dbraw/zinc/39/78/76/309397876.db2.gz KKZNDFTWAXKQJR-YMQHIKHWSA-N 3 0 327.516 3.147 20 0 EGADRP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423383488 309397995 /nfs/dbraw/zinc/39/79/95/309397995.db2.gz JLEXIVFUUQZRTE-LPHOPBHVSA-N 2 0 333.520 3.056 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423422099 309399789 /nfs/dbraw/zinc/39/97/89/309399789.db2.gz CSBWXGBKCBKJSX-QWHCGFSZSA-N 2 0 335.883 3.397 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423440765 309400684 /nfs/dbraw/zinc/40/06/84/309400684.db2.gz ORSRJVGULWHYAO-ZYSHUDEJSA-N 2 0 331.504 3.337 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423467933 309401303 /nfs/dbraw/zinc/40/13/03/309401303.db2.gz UQEVTYZZCHNSOA-DUVNUKRYSA-N 2 0 347.894 3.397 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423478224 309401807 /nfs/dbraw/zinc/40/18/07/309401807.db2.gz KSSDSIQBRSSPIB-WBVHZDCISA-N 2 0 332.492 3.399 20 0 EGADRP [NH3+][C@@H](CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)CC1CCCCC1 ZINC000424147585 309430784 /nfs/dbraw/zinc/43/07/84/309430784.db2.gz RSQKQABSOBDFJV-PMACEKPBSA-N 2 0 349.563 3.399 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000424195522 309432643 /nfs/dbraw/zinc/43/26/43/309432643.db2.gz TUJXIEYOHWBYIA-HXUWFJFHSA-N 2 0 345.531 3.442 20 0 EGADRP c1c(C[NH2+]C2(Cc3ccccc3)CCC2)onc1C1CC[NH2+]CC1 ZINC000425901776 309494361 /nfs/dbraw/zinc/49/43/61/309494361.db2.gz QFZPFFSUMAOUFS-UHFFFAOYSA-N 2 0 325.456 3.397 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000430538275 309610026 /nfs/dbraw/zinc/61/00/26/309610026.db2.gz BAWIJLRESXJMBT-MRXNPFEDSA-N 2 0 339.483 3.488 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000430595146 309612385 /nfs/dbraw/zinc/61/23/85/309612385.db2.gz LZDADYYKNLOXKW-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP FC(F)(F)COc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430913936 309620815 /nfs/dbraw/zinc/62/08/15/309620815.db2.gz ZKJGCNDKMQYAMK-UHFFFAOYSA-N 2 0 328.378 3.203 20 0 EGADRP Clc1ccc(-n2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cn2)cc1 ZINC000430934940 309621397 /nfs/dbraw/zinc/62/13/97/309621397.db2.gz OHXISMFXDLEGCB-UHFFFAOYSA-N 2 0 330.863 3.101 20 0 EGADRP COc1ccc(Br)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430938754 309621656 /nfs/dbraw/zinc/62/16/56/309621656.db2.gz CVJKBMVLCYTIPQ-UHFFFAOYSA-N 2 0 339.277 3.033 20 0 EGADRP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1cccs1 ZINC000431030415 309623780 /nfs/dbraw/zinc/62/37/80/309623780.db2.gz MQNUCRBGFZEFCA-KRWDZBQOSA-N 2 0 349.544 3.027 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000431558926 309636556 /nfs/dbraw/zinc/63/65/56/309636556.db2.gz UGUYMLNQFKRBSY-PMACEKPBSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3Cc4cccc(O)c4C3)CC2)C1 ZINC000433032163 309675802 /nfs/dbraw/zinc/67/58/02/309675802.db2.gz LHJRXJSCNXTWRJ-AYOQOUSVSA-N 2 0 328.500 3.492 20 0 EGADRP CC(C)C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccs1 ZINC000433120200 309679429 /nfs/dbraw/zinc/67/94/29/309679429.db2.gz YEMFFUHDYVSZRA-MRXNPFEDSA-N 2 0 337.533 3.155 20 0 EGADRP CCC(CC)(CNC(=O)[C@H](C[NH3+])C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000433171862 309680601 /nfs/dbraw/zinc/68/06/01/309680601.db2.gz FNOJMJITYQRLGV-SJLPKXTDSA-N 2 0 333.520 3.243 20 0 EGADRP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443607384 309904399 /nfs/dbraw/zinc/90/43/99/309904399.db2.gz ZVPGAOAWXCEDEF-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000444638747 309923873 /nfs/dbraw/zinc/92/38/73/309923873.db2.gz LSAOOWLUYSTNPL-HUUCEWRRSA-N 2 0 326.525 3.248 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)nnn1-c1ccccc1 ZINC000447571675 309982720 /nfs/dbraw/zinc/98/27/20/309982720.db2.gz KYDOBIORQWSAIO-OAHLLOKOSA-N 2 0 339.487 3.101 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000447603185 309983961 /nfs/dbraw/zinc/98/39/61/309983961.db2.gz VNFBGIKEMKHPSM-FXAWDEMLSA-N 2 0 345.531 3.295 20 0 EGADRP CCn1nnc(C)c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000449037445 310032004 /nfs/dbraw/zinc/03/20/04/310032004.db2.gz NEXCPRNIFDHCAA-MRXNPFEDSA-N 2 0 333.524 3.083 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000449131502 310039237 /nfs/dbraw/zinc/03/92/37/310039237.db2.gz NAVGZCIVHAVPDP-LJQANCHMSA-N 2 0 347.547 3.085 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000449144825 310040226 /nfs/dbraw/zinc/04/02/26/310040226.db2.gz USBHXISNIIOSML-SFHVURJKSA-N 2 0 330.516 3.488 20 0 EGADRP CC[N@@H+]1CC[C@H](NCC2([NH+](C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472846 310064954 /nfs/dbraw/zinc/06/49/54/310064954.db2.gz GHZQQSKHCIXAFK-QUCCMNQESA-N 2 0 329.532 3.361 20 0 EGADRP OCC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449579798 310073471 /nfs/dbraw/zinc/07/34/71/310073471.db2.gz JVGPCMZPRMOJOX-SLFFLAALSA-N 2 0 328.500 3.039 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449816595 310088928 /nfs/dbraw/zinc/08/89/28/310088928.db2.gz YMOGCOCVOAXEMR-MJGOQNOKSA-N 2 0 337.552 3.410 20 0 EGADRP CCc1cc(CCC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000450635690 310134211 /nfs/dbraw/zinc/13/42/11/310134211.db2.gz CAOCIHZVXIGIHD-UHFFFAOYSA-N 2 0 342.487 3.413 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451976582 310206311 /nfs/dbraw/zinc/20/63/11/310206311.db2.gz BPXJQOIAAOIMIZ-UHFFFAOYSA-N 2 0 346.563 3.273 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453092294 310257385 /nfs/dbraw/zinc/25/73/85/310257385.db2.gz DJGKEGDYIWFMPM-IBGZPJMESA-N 2 0 336.907 3.475 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccncc1 ZINC000453097910 310257759 /nfs/dbraw/zinc/25/77/59/310257759.db2.gz JHFKBFHVNWWAJQ-NRFANRHFSA-N 2 0 339.483 3.279 20 0 EGADRP O[C@@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CCN(Cc2ccccc2)C1 ZINC000453113461 310258894 /nfs/dbraw/zinc/25/88/94/310258894.db2.gz DZXQTXFJRANCJO-NHCUHLMSSA-N 2 0 328.500 3.182 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000453166956 310261879 /nfs/dbraw/zinc/26/18/79/310261879.db2.gz HXPLQRGMEIFCPZ-GGPKGHCWSA-N 2 0 338.499 3.298 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453200040 310263798 /nfs/dbraw/zinc/26/37/98/310263798.db2.gz ULXNDOOXKQSYCL-NHCUHLMSSA-N 2 0 328.500 3.312 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453239478 310266216 /nfs/dbraw/zinc/26/62/16/310266216.db2.gz WZAYWYRFAPYUCD-FQEVSTJZSA-N 2 0 331.504 3.471 20 0 EGADRP C[C@H](c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453339499 310271911 /nfs/dbraw/zinc/27/19/11/310271911.db2.gz BVMQTQDWRPILPQ-XLIONFOSSA-N 2 0 332.488 3.191 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H](C)C1 ZINC000453372652 310273557 /nfs/dbraw/zinc/27/35/57/310273557.db2.gz GQTFGJJMVGGZIX-ROUUACIJSA-N 2 0 340.552 3.044 20 0 EGADRP C[C@H]([NH2+]CCN1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453396878 310274843 /nfs/dbraw/zinc/27/48/43/310274843.db2.gz KZAPGJPCPNAERX-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1ccc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)nc1 ZINC000453428010 310276633 /nfs/dbraw/zinc/27/66/33/310276633.db2.gz OYWJPKVIMWDAHZ-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453428647 310276753 /nfs/dbraw/zinc/27/67/53/310276753.db2.gz PUEHKZGAURGOPB-SJORKVTESA-N 2 0 334.504 3.483 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@@H]1C ZINC000455933970 310382645 /nfs/dbraw/zinc/38/26/45/310382645.db2.gz QSQMTRMFMDMWFU-YZVOILCLSA-N 2 0 344.503 3.182 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455945572 310383060 /nfs/dbraw/zinc/38/30/60/310383060.db2.gz WJVSGXUDVWYOGM-PKOBYXMFSA-N 2 0 344.503 3.184 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455945571 310383179 /nfs/dbraw/zinc/38/31/79/310383179.db2.gz WJVSGXUDVWYOGM-MJGOQNOKSA-N 2 0 344.503 3.184 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1)C1CC1 ZINC000456325102 310398464 /nfs/dbraw/zinc/39/84/64/310398464.db2.gz ZVGKIBKBJGVIAY-CTXDPNEZSA-N 2 0 341.499 3.026 20 0 EGADRP CC1CC[NH+](CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000474254205 310788909 /nfs/dbraw/zinc/78/89/09/310788909.db2.gz UFBZALTVVRIXBI-UHFFFAOYSA-N 2 0 343.515 3.385 20 0 EGADRP C[C@H]1C[C@@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000488449066 311066183 /nfs/dbraw/zinc/06/61/83/311066183.db2.gz OPJBFNHILOJTGM-UONOGXRCSA-N 2 0 341.421 3.203 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000490963942 311158935 /nfs/dbraw/zinc/15/89/35/311158935.db2.gz ISOKOXOESJTDLV-RXVVDRJESA-N 2 0 329.532 3.097 20 0 EGADRP Cc1ccc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000491135358 311165671 /nfs/dbraw/zinc/16/56/71/311165671.db2.gz KKTYPWJMODMWDA-SFHVURJKSA-N 2 0 341.524 3.203 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc2)cs1 ZINC000491551072 311184427 /nfs/dbraw/zinc/18/44/27/311184427.db2.gz ZSPYMLCDCHMIJS-CQSZACIVSA-N 2 0 333.501 3.318 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CN1C1CC1 ZINC000492751680 311287058 /nfs/dbraw/zinc/28/70/58/311287058.db2.gz YUAMLAJNGWROJG-NVXWUHKLSA-N 2 0 349.519 3.159 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000500501350 311926725 /nfs/dbraw/zinc/92/67/25/311926725.db2.gz LUVGZWZIFJYCQB-BZSNNMDCSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000504424794 312006183 /nfs/dbraw/zinc/00/61/83/312006183.db2.gz SWOWQGKDAHLYEE-NQIIRXRSSA-N 2 0 343.559 3.142 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000505733879 312032311 /nfs/dbraw/zinc/03/23/11/312032311.db2.gz OOONMHBHXPMUGB-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000507464304 312073477 /nfs/dbraw/zinc/07/34/77/312073477.db2.gz WSBPMYATRIYRJS-BAGYTPMASA-N 2 0 336.479 3.435 20 0 EGADRP CC(C)C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000511080162 312154128 /nfs/dbraw/zinc/15/41/28/312154128.db2.gz FUNRGLNPOLCRCG-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512665915 312191661 /nfs/dbraw/zinc/19/16/61/312191661.db2.gz IAXGUWCWENBJCF-OUJGAGHGSA-N 2 0 330.516 3.284 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000512692583 312192534 /nfs/dbraw/zinc/19/25/34/312192534.db2.gz FVXVOBVGAFHPFH-WOJBJXKFSA-N 2 0 329.532 3.294 20 0 EGADRP CCCC[N@H+](C)CCNC(=O)c1ccccc1Oc1ccncc1 ZINC000513495185 312211679 /nfs/dbraw/zinc/21/16/79/312211679.db2.gz MKCQRRIUDVQLPI-UHFFFAOYSA-N 2 0 327.428 3.336 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000513514073 312212336 /nfs/dbraw/zinc/21/23/36/312212336.db2.gz VXSZILKGGHJJGJ-FMWKFLBASA-N 2 0 329.532 3.217 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000513785899 312217749 /nfs/dbraw/zinc/21/77/49/312217749.db2.gz VWEFIEILCBOVQD-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP CSC1(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)CC[NH+](C)CC1 ZINC000514819877 312247113 /nfs/dbraw/zinc/24/71/13/312247113.db2.gz DFRVQUJSHZEMSG-INIZCTEOSA-N 2 0 349.544 3.129 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000514872348 312251423 /nfs/dbraw/zinc/25/14/23/312251423.db2.gz YGORQTGVCWCJLD-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000514935006 312254936 /nfs/dbraw/zinc/25/49/36/312254936.db2.gz XFSOFFPXDNPDBS-SFHVURJKSA-N 2 0 333.520 3.167 20 0 EGADRP C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCc1cncn1C ZINC000515863278 312301125 /nfs/dbraw/zinc/30/11/25/312301125.db2.gz UHLQAFRLUXJFLM-QGZVFWFLSA-N 2 0 349.482 3.112 20 0 EGADRP OCCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000517918684 312398119 /nfs/dbraw/zinc/39/81/19/312398119.db2.gz HUTHICCFYUMSCM-RXVVDRJESA-N 2 0 344.499 3.165 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c(C)c1OC ZINC000521437008 312545939 /nfs/dbraw/zinc/54/59/39/312545939.db2.gz HVKIXFAKSIESSS-AWEZNQCLSA-N 2 0 328.456 3.192 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000524371945 312656661 /nfs/dbraw/zinc/65/66/61/312656661.db2.gz BHACDEANUUOXFU-UHFFFAOYSA-N 2 0 330.394 3.401 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000527197821 312839510 /nfs/dbraw/zinc/83/95/10/312839510.db2.gz OOAXRQVNQQIIMG-UWJYYQICSA-N 2 0 329.532 3.450 20 0 EGADRP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000527868489 312961768 /nfs/dbraw/zinc/96/17/68/312961768.db2.gz UQKQVRWDDIAGGY-WOJBJXKFSA-N 2 0 330.516 3.488 20 0 EGADRP COc1cccc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)OC)c1 ZINC000529639104 313376738 /nfs/dbraw/zinc/37/67/38/313376738.db2.gz NIHBKQYAPSWYSZ-FQEVSTJZSA-N 2 0 341.455 3.036 20 0 EGADRP Fc1cc(Cl)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248601 313505299 /nfs/dbraw/zinc/50/52/99/313505299.db2.gz NBBJPGZSQONYLF-KRWDZBQOSA-N 2 0 326.843 3.070 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531704337 313703712 /nfs/dbraw/zinc/70/37/12/313703712.db2.gz BMCLAWUSVUHJLW-DNVCBOLYSA-N 2 0 335.923 3.191 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000533592300 313924401 /nfs/dbraw/zinc/92/44/01/313924401.db2.gz IMZRJLJEUNSLOW-BHIYHBOVSA-N 2 0 333.520 3.208 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000534973136 314009342 /nfs/dbraw/zinc/00/93/42/314009342.db2.gz LHDMRZQJDXDQGV-HNAYVOBHSA-N 2 0 335.923 3.191 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534972650 314009539 /nfs/dbraw/zinc/00/95/39/314009539.db2.gz XJLZYWKJZNKCMT-IBGZPJMESA-N 2 0 335.923 3.335 20 0 EGADRP CCC[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000535378524 314044147 /nfs/dbraw/zinc/04/41/47/314044147.db2.gz OFVFDGOEYTYPEF-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000537963665 314220338 /nfs/dbraw/zinc/22/03/38/314220338.db2.gz ROWZOPVIKANSHK-XLIONFOSSA-N 2 0 334.504 3.230 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3C[C@H](C)[NH+](C)C[C@@H]3C)c2)C[C@H](C)O1 ZINC000538589293 314256379 /nfs/dbraw/zinc/25/63/79/314256379.db2.gz IUUUKNPZRBSEPL-ARWBCWGVSA-N 2 0 345.531 3.436 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000539405790 314311994 /nfs/dbraw/zinc/31/19/94/314311994.db2.gz MVVKHJQZNBPPSN-IRLDBZIGSA-N 2 0 343.559 3.356 20 0 EGADRP CCc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000539861333 314346426 /nfs/dbraw/zinc/34/64/26/314346426.db2.gz LUVPJSBRFCIOHJ-UHFFFAOYSA-N 2 0 335.561 3.301 20 0 EGADRP CC(C)C(C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C(C)C ZINC000551554511 315158237 /nfs/dbraw/zinc/15/82/37/315158237.db2.gz JPZRRERDGPQHBL-OAQYLSRUSA-N 2 0 331.548 3.493 20 0 EGADRP Cc1cnn(-c2cc[nH+]cc2NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000553913921 315288120 /nfs/dbraw/zinc/28/81/20/315288120.db2.gz SSWWEJUCLDCQIE-UHFFFAOYSA-N 2 0 348.454 3.047 20 0 EGADRP CC[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000554349141 315312047 /nfs/dbraw/zinc/31/20/47/315312047.db2.gz JYRJQYWSHRRGAQ-SFTDATJTSA-N 2 0 329.532 3.363 20 0 EGADRP CC(C)C1CCC(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000554855838 315352869 /nfs/dbraw/zinc/35/28/69/315352869.db2.gz YAALOBXUGWXONM-WCHWRFHJSA-N 2 0 335.580 3.407 20 0 EGADRP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000560971211 315732658 /nfs/dbraw/zinc/73/26/58/315732658.db2.gz YFVDVOCYELRGQH-DLBZAZTESA-N 2 0 330.863 3.208 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000563898698 316087499 /nfs/dbraw/zinc/08/74/99/316087499.db2.gz OXBZBJLMFJWHQB-BJLQDIEVSA-N 2 0 331.504 3.082 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000564070206 316108750 /nfs/dbraw/zinc/10/87/50/316108750.db2.gz PXIMPWUNAQFMQT-AYWYSENESA-N 2 0 329.532 3.215 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319471 316135154 /nfs/dbraw/zinc/13/51/54/316135154.db2.gz SNOLSPAYLBNFMQ-TYPHKJRUSA-N 2 0 329.532 3.217 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000564444856 316153283 /nfs/dbraw/zinc/15/32/83/316153283.db2.gz UNXGCZMLJKRKFP-BZUAXINKSA-N 2 0 344.421 3.071 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000564822552 316212759 /nfs/dbraw/zinc/21/27/59/316212759.db2.gz DOIIKKLCCZGDCZ-QRQLOZEOSA-N 2 0 344.503 3.193 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000565247038 316298859 /nfs/dbraw/zinc/29/88/59/316298859.db2.gz RLTYNYCHIIMSQY-STQMWFEESA-N 2 0 326.282 3.227 20 0 EGADRP [NH3+]C1CCC([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000565710273 316359530 /nfs/dbraw/zinc/35/95/30/316359530.db2.gz AUYMZPYUVVTSDX-UHFFFAOYSA-N 2 0 336.789 3.025 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000565860645 316379424 /nfs/dbraw/zinc/37/94/24/316379424.db2.gz NORNFWGYLNEQTO-FQEVSTJZSA-N 2 0 333.520 3.437 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1CC[NH2+]CC1 ZINC000568617161 316798269 /nfs/dbraw/zinc/79/82/69/316798269.db2.gz OQJAVFNHGSSZSG-NSHDSACASA-N 2 0 329.257 3.108 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000569539559 316927864 /nfs/dbraw/zinc/92/78/64/316927864.db2.gz SIXRJPDZHALHCX-UHFFFAOYSA-N 2 0 347.522 3.154 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000570363139 317045052 /nfs/dbraw/zinc/04/50/52/317045052.db2.gz RCPKHWXYFJWBLF-VQFNDLOPSA-N 2 0 332.488 3.205 20 0 EGADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000571711182 317236098 /nfs/dbraw/zinc/23/60/98/317236098.db2.gz ZPZDYSAUQAPTEW-NQIIRXRSSA-N 2 0 346.515 3.454 20 0 EGADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000572690105 317374762 /nfs/dbraw/zinc/37/47/62/317374762.db2.gz KYENLWIVXAYLBT-AEFFLSMTSA-N 2 0 330.520 3.443 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000177902048 323347671 /nfs/dbraw/zinc/34/76/71/323347671.db2.gz VLGQSQYHWCALLZ-IOASZLSFSA-N 2 0 330.394 3.403 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000382830308 324253944 /nfs/dbraw/zinc/25/39/44/324253944.db2.gz HTEJUEFSOUIAGU-BPQIPLTHSA-N 2 0 347.503 3.182 20 0 EGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418362057 324306108 /nfs/dbraw/zinc/30/61/08/324306108.db2.gz UWKQBBXZBPUWPE-IBGZPJMESA-N 2 0 348.535 3.039 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000575161587 324429784 /nfs/dbraw/zinc/42/97/84/324429784.db2.gz HVOHKUHGNWVFPK-ICSRJNTNSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(CC[NH3+])CC3)n2)cc1F ZINC000578242370 324941559 /nfs/dbraw/zinc/94/15/59/324941559.db2.gz UXZHWYWWTZGQKR-ZDUSSCGKSA-N 2 0 332.423 3.306 20 0 EGADRP CC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC1(C)C ZINC000578857797 325028275 /nfs/dbraw/zinc/02/82/75/325028275.db2.gz YTVINRVUENRTJO-UFYCRDLUSA-N 2 0 329.532 3.389 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cn2)c1 ZINC000579252004 325085194 /nfs/dbraw/zinc/08/51/94/325085194.db2.gz QCRAJMOSNPOKMC-JKSUJKDBSA-N 2 0 327.428 3.242 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579330311 325095304 /nfs/dbraw/zinc/09/53/04/325095304.db2.gz QJNUMVXHBQYKAX-KRWDZBQOSA-N 2 0 344.503 3.108 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@H](C)C1 ZINC000579733400 325153130 /nfs/dbraw/zinc/15/31/30/325153130.db2.gz CEZNFWIJKRWXPL-QZTJIDSGSA-N 2 0 340.552 3.044 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1C ZINC000580194236 325215878 /nfs/dbraw/zinc/21/58/78/325215878.db2.gz CMLZFDYAUSXOSI-OAHLLOKOSA-N 2 0 325.456 3.269 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000580644418 325277893 /nfs/dbraw/zinc/27/78/93/325277893.db2.gz QFJFKVPUNCYAIJ-HKUYNNGSSA-N 2 0 345.531 3.341 20 0 EGADRP C[N@H+](CCC[NH3+])Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000580647538 325278200 /nfs/dbraw/zinc/27/82/00/325278200.db2.gz SJKLLLGFJRIKDE-UHFFFAOYSA-N 2 0 325.172 3.249 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000580947698 325312652 /nfs/dbraw/zinc/31/26/52/325312652.db2.gz YRWZBKXQEFOSCE-FQEVSTJZSA-N 2 0 346.515 3.040 20 0 EGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000581052238 325324615 /nfs/dbraw/zinc/32/46/15/325324615.db2.gz GYTVNWGJSCFYNE-GOSISDBHSA-N 2 0 335.536 3.116 20 0 EGADRP C[C@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@H]1[NH3+] ZINC000435368296 458119833 /nfs/dbraw/zinc/11/98/33/458119833.db2.gz AIDZHLOFUNOKQC-SMDDNHRTSA-N 2 0 349.276 3.008 20 0 EGADRP c1cn(CCC[NH2+][C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000183125018 455234094 /nfs/dbraw/zinc/23/40/94/455234094.db2.gz SFPINVGBBLVFFH-NJYVYQBISA-N 2 0 338.499 3.164 20 0 EGADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000480142211 459183867 /nfs/dbraw/zinc/18/38/67/459183867.db2.gz AUHNZYRWSNLTTB-FVQBIDKESA-N 2 0 336.442 3.465 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238061888 455249666 /nfs/dbraw/zinc/24/96/66/455249666.db2.gz BVIKVBJIOMVMAZ-NRFANRHFSA-N 2 0 349.478 3.326 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000173385305 455277280 /nfs/dbraw/zinc/27/72/80/455277280.db2.gz SUSNXAVNNCRFCO-DLBZAZTESA-N 2 0 335.561 3.333 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000081362804 453865383 /nfs/dbraw/zinc/86/53/83/453865383.db2.gz JVJMGJFZOORKTL-UYAOXDASSA-N 2 0 345.531 3.260 20 0 EGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000076000987 453947843 /nfs/dbraw/zinc/94/78/43/453947843.db2.gz WHZIBEMEMLZOID-HNNXBMFYSA-N 2 0 337.895 3.332 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1F ZINC000056522500 454064724 /nfs/dbraw/zinc/06/47/24/454064724.db2.gz GDGMKZTYCJGCPN-HNNXBMFYSA-N 2 0 335.467 3.125 20 0 EGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000175004947 455419835 /nfs/dbraw/zinc/41/98/35/455419835.db2.gz MQFAJNPKFDOYAT-QGZVFWFLSA-N 2 0 347.547 3.164 20 0 EGADRP Clc1ccc(-c2noc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000089555877 454162017 /nfs/dbraw/zinc/16/20/17/454162017.db2.gz MGLXXVRZJYBDAK-JKSUJKDBSA-N 2 0 346.862 3.149 20 0 EGADRP Cc1ccoc1C(=O)NCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090061707 454270066 /nfs/dbraw/zinc/27/00/66/454270066.db2.gz UWJTYRXFZBOPJS-UHFFFAOYSA-N 2 0 347.503 3.095 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000060368469 454282737 /nfs/dbraw/zinc/28/27/37/454282737.db2.gz OPEPKKXBBMGAQZ-OALUTQOASA-N 2 0 330.516 3.440 20 0 EGADRP CC(C)c1ccccc1NC(=O)CN1CC[C@H](Oc2ccncc2)C1 ZINC000131903723 454296383 /nfs/dbraw/zinc/29/63/83/454296383.db2.gz WJQYQIVAAFBLKI-KRWDZBQOSA-N 2 0 339.439 3.297 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000090666867 454334840 /nfs/dbraw/zinc/33/48/40/454334840.db2.gz JPNSWNMBYKKCEK-OAQYLSRUSA-N 2 0 344.547 3.146 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061634647 454351486 /nfs/dbraw/zinc/35/14/86/454351486.db2.gz QOXZKAHLZNKXFU-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000090937019 454351546 /nfs/dbraw/zinc/35/15/46/454351546.db2.gz LRHJTFHQVWQPSW-LJQANCHMSA-N 2 0 325.456 3.108 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3ccccc32)ccn1 ZINC000090937177 454352731 /nfs/dbraw/zinc/35/27/31/454352731.db2.gz XRLWEHLPXONPSI-LJQANCHMSA-N 2 0 325.456 3.189 20 0 EGADRP CNC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000072959144 454370692 /nfs/dbraw/zinc/37/06/92/454370692.db2.gz ALYBEGHSHFCVRB-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000121264529 454413706 /nfs/dbraw/zinc/41/37/06/454413706.db2.gz IZVCOHQXCKYYEW-HNAYVOBHSA-N 2 0 339.474 3.279 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000121374480 454427500 /nfs/dbraw/zinc/42/75/00/454427500.db2.gz WXAYXPKNUHMSCL-UNMCSNQZSA-N 2 0 345.575 3.425 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000091336483 454429052 /nfs/dbraw/zinc/42/90/52/454429052.db2.gz DCHQYZMKJDFYLC-QUCCMNQESA-N 2 0 334.504 3.219 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000073640278 454461753 /nfs/dbraw/zinc/46/17/53/454461753.db2.gz QHWDAUYQSMWKJK-UHFFFAOYSA-N 2 0 345.487 3.346 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)CC(C)C ZINC000246245438 455456431 /nfs/dbraw/zinc/45/64/31/455456431.db2.gz JHLLYGCBMLCTJK-NZSAHSFTSA-N 2 0 333.520 3.195 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000104137003 454575442 /nfs/dbraw/zinc/57/54/42/454575442.db2.gz QCOGNYQFPNPGBZ-HXUWFJFHSA-N 2 0 343.515 3.163 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C[C@H](C)O1 ZINC000092587568 454591228 /nfs/dbraw/zinc/59/12/28/454591228.db2.gz BSBAFWSBQMGLKW-CALCHBBNSA-N 2 0 341.499 3.489 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000123132061 454604982 /nfs/dbraw/zinc/60/49/82/454604982.db2.gz PUGNHVATRVPTJK-UYAOXDASSA-N 2 0 338.499 3.224 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000080645796 454611074 /nfs/dbraw/zinc/61/10/74/454611074.db2.gz PRINMGLMAYCLIN-UYAOXDASSA-N 2 0 340.552 3.405 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000080645792 454611363 /nfs/dbraw/zinc/61/13/63/454611363.db2.gz PRINMGLMAYCLIN-ICSRJNTNSA-N 2 0 340.552 3.405 20 0 EGADRP Nc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000634995629 460644390 /nfs/dbraw/zinc/64/43/90/460644390.db2.gz KXSWKENZEZAKIM-LAUBAEHRSA-N 2 0 336.483 3.295 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123600591 454656657 /nfs/dbraw/zinc/65/66/57/454656657.db2.gz CSCNCJXQTKPLQY-ZHALLVOQSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000635004386 460648308 /nfs/dbraw/zinc/64/83/08/460648308.db2.gz DDPKOEYAOJCXNE-RBSFLKMASA-N 2 0 337.895 3.473 20 0 EGADRP C[C@H]([NH2+]CCN1CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000123969043 454691236 /nfs/dbraw/zinc/69/12/36/454691236.db2.gz JABBBPFEZVHASJ-SFHVURJKSA-N 2 0 333.520 3.154 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccccc1 ZINC000123968044 454691634 /nfs/dbraw/zinc/69/16/34/454691634.db2.gz PCZYXVUPCTVPBR-LPHOPBHVSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[NH+]1CCC(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000161606927 454707884 /nfs/dbraw/zinc/70/78/84/454707884.db2.gz GAXJSXGXXVCMBL-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000161714249 454716266 /nfs/dbraw/zinc/71/62/66/454716266.db2.gz VGRYWKQHZHOKOY-UHFFFAOYSA-N 2 0 329.532 3.491 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000161769444 454721370 /nfs/dbraw/zinc/72/13/70/454721370.db2.gz VRMATYMKSOELKV-SFHVURJKSA-N 2 0 334.504 3.484 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000124371859 454724559 /nfs/dbraw/zinc/72/45/59/454724559.db2.gz VZLFPEJLLWFCTJ-SFHVURJKSA-N 2 0 333.545 3.087 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000635006762 460650684 /nfs/dbraw/zinc/65/06/84/460650684.db2.gz SMYUUNAQQRBJNS-OHLDOZIISA-N 3 0 341.543 3.394 20 0 EGADRP CC(C)C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccn1 ZINC000635007075 460650728 /nfs/dbraw/zinc/65/07/28/460650728.db2.gz DROWWVRPXIAKTD-GOSISDBHSA-N 2 0 325.460 3.086 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093769425 454734194 /nfs/dbraw/zinc/73/41/94/454734194.db2.gz FSAHGMGZKRREAN-UHFFFAOYSA-N 2 0 344.503 3.133 20 0 EGADRP COc1ccc([C@H]2CCC[N@@H+]2CCCn2ccnc2C)cc1OC ZINC000136352647 454736893 /nfs/dbraw/zinc/73/68/93/454736893.db2.gz GUEHPKNELIHNNY-QGZVFWFLSA-N 2 0 329.444 3.436 20 0 EGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124473177 454737311 /nfs/dbraw/zinc/73/73/11/454737311.db2.gz WLYBIYHYAHAVIZ-ROUUACIJSA-N 2 0 347.547 3.050 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000162144447 454754565 /nfs/dbraw/zinc/75/45/65/454754565.db2.gz QAVGDYOZBSXUEW-BBTUJRGHSA-N 2 0 329.532 3.278 20 0 EGADRP CCOc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000137691589 454783966 /nfs/dbraw/zinc/78/39/66/454783966.db2.gz VBOMVSCKVUKGQP-SFHVURJKSA-N 2 0 347.503 3.220 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000108428773 454797972 /nfs/dbraw/zinc/79/79/72/454797972.db2.gz HWRVTFQRPHLLEA-OAHLLOKOSA-N 2 0 348.441 3.199 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000125336635 454815366 /nfs/dbraw/zinc/81/53/66/454815366.db2.gz CHCXLJGPHYYAAT-QGZVFWFLSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713580 454824090 /nfs/dbraw/zinc/82/40/90/454824090.db2.gz CISTVZYITFGOPD-IEBWSBKVSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCCCC1 ZINC000125650902 454836966 /nfs/dbraw/zinc/83/69/66/454836966.db2.gz GHZPEGJFGFDSGG-IAGOWNOFSA-N 2 0 327.476 3.040 20 0 EGADRP CCc1cc(NCCN2CCC([NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000125837749 454850801 /nfs/dbraw/zinc/85/08/01/454850801.db2.gz NVKNXUVDBIUOSD-UHFFFAOYSA-N 2 0 326.488 3.235 20 0 EGADRP C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164300893 454879420 /nfs/dbraw/zinc/87/94/20/454879420.db2.gz MLMJMWDNYRGKIZ-APWZRJJASA-N 2 0 340.467 3.281 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000154314531 454883811 /nfs/dbraw/zinc/88/38/11/454883811.db2.gz OXQMNQGRGXVTBB-SFHVURJKSA-N 2 0 329.532 3.244 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000154322087 454884911 /nfs/dbraw/zinc/88/49/11/454884911.db2.gz OMVNHJNTJOWDDS-OAQYLSRUSA-N 2 0 331.548 3.179 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000164744728 454888347 /nfs/dbraw/zinc/88/83/47/454888347.db2.gz QNMJFZCVBPXKBM-WOJBJXKFSA-N 2 0 345.531 3.442 20 0 EGADRP Cc1c([C@@H](C)NC[C@H](C)C[NH+]2CCCC2)nnn1-c1ccc(F)cc1 ZINC000165309737 454897924 /nfs/dbraw/zinc/89/79/24/454897924.db2.gz RIPLJFWZMYRCKA-LSDHHAIUSA-N 2 0 345.466 3.097 20 0 EGADRP CC[N@@H+]1CC[C@H](N[C@@H](CC[NH+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000165987237 454906915 /nfs/dbraw/zinc/90/69/15/454906915.db2.gz CTFJDFGVRLDDJY-GIVPXCGWSA-N 2 0 347.547 3.016 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000166034364 454907605 /nfs/dbraw/zinc/90/76/05/454907605.db2.gz UIYUKPMVHOYPRO-IEBWSBKVSA-N 2 0 334.504 3.464 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2C)[C@H](C)C1 ZINC000166885634 454916739 /nfs/dbraw/zinc/91/67/39/454916739.db2.gz DRFAARHYGATEGQ-YLJYHZDGSA-N 2 0 336.495 3.403 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178005416 454926323 /nfs/dbraw/zinc/92/63/23/454926323.db2.gz PCFJCEVKHCZHQD-FQEVSTJZSA-N 2 0 329.532 3.416 20 0 EGADRP C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000151082935 454934635 /nfs/dbraw/zinc/93/46/35/454934635.db2.gz SSYNPYCAGFEZLE-AWEZNQCLSA-N 2 0 335.458 3.113 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000178850190 454984074 /nfs/dbraw/zinc/98/40/74/454984074.db2.gz FLJMQHHDVUPEFX-LJQANCHMSA-N 2 0 331.504 3.067 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359184 454991162 /nfs/dbraw/zinc/99/11/62/454991162.db2.gz UUBPNCJGFUMZAP-HOTGVXAUSA-N 2 0 328.485 3.121 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000128047655 455021059 /nfs/dbraw/zinc/02/10/59/455021059.db2.gz LTTLCSKGSJXBCQ-OAHLLOKOSA-N 2 0 327.582 3.055 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000155661197 455028336 /nfs/dbraw/zinc/02/83/36/455028336.db2.gz RROXKRTZYFQIQA-CABCVRRESA-N 2 0 343.437 3.382 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c2ccccc12 ZINC000151815770 455034135 /nfs/dbraw/zinc/03/41/35/455034135.db2.gz WEBORHLIYRHRPO-INIZCTEOSA-N 2 0 342.483 3.203 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C(C)C ZINC000155844542 455051800 /nfs/dbraw/zinc/05/18/00/455051800.db2.gz BZTYQGZDEWMPNX-KRWDZBQOSA-N 2 0 329.492 3.427 20 0 EGADRP CCC[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000180069612 455126762 /nfs/dbraw/zinc/12/67/62/455126762.db2.gz HAMLVPAWUCXOHU-RTWAWAEBSA-N 2 0 329.532 3.282 20 0 EGADRP COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000119192918 455132346 /nfs/dbraw/zinc/13/23/46/455132346.db2.gz KZHNXLABBJEGKI-HBFSDRIKSA-N 2 0 345.531 3.295 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000156732364 455147538 /nfs/dbraw/zinc/14/75/38/455147538.db2.gz NKQGTDCFOHMVRP-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@]2(C)CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000237402222 455181585 /nfs/dbraw/zinc/18/15/85/455181585.db2.gz KSVRWKYHZMBWKD-XLIONFOSSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237424509 455184430 /nfs/dbraw/zinc/18/44/30/455184430.db2.gz VFNWOVFHILRXCA-TZIWHRDSSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237545262 455194378 /nfs/dbraw/zinc/19/43/78/455194378.db2.gz BAVZFPBKEHZXEF-ZHALLVOQSA-N 2 0 345.531 3.339 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCCCC[NH3+])C1 ZINC000237553739 455194509 /nfs/dbraw/zinc/19/45/09/455194509.db2.gz PQSXKQHJVBEGDB-GOSISDBHSA-N 2 0 345.531 3.444 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000157600581 455212076 /nfs/dbraw/zinc/21/20/76/455212076.db2.gz ABFRLDXVFIOYOZ-PKOBYXMFSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1F ZINC000180641603 455216041 /nfs/dbraw/zinc/21/60/41/455216041.db2.gz YIRFWSTWFKVHPS-KSSFIOAISA-N 2 0 346.421 3.382 20 0 EGADRP CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000183053347 455217014 /nfs/dbraw/zinc/21/70/14/455217014.db2.gz AQONMSNMMLFCFI-HZPDHXFCSA-N 2 0 349.544 3.198 20 0 EGADRP CN(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC000158614573 455316712 /nfs/dbraw/zinc/31/67/12/455316712.db2.gz HRCUQRVOLWJUKT-UHFFFAOYSA-N 2 0 339.524 3.240 20 0 EGADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158971712 455341760 /nfs/dbraw/zinc/34/17/60/455341760.db2.gz ATXKODODGAVGKS-SJORKVTESA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccs1 ZINC000159157199 455357486 /nfs/dbraw/zinc/35/74/86/455357486.db2.gz CEJNJXJPTYRYPW-MRXNPFEDSA-N 2 0 330.501 3.136 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC000181628016 455364937 /nfs/dbraw/zinc/36/49/37/455364937.db2.gz IQQFQUWWWSWLOM-SJLPKXTDSA-N 2 0 349.494 3.187 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000245908882 455396941 /nfs/dbraw/zinc/39/69/41/455396941.db2.gz URLSOGZTTCPJAD-KCUHQSDYSA-N 2 0 344.499 3.235 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@@H](C)C1 ZINC000246340159 455473317 /nfs/dbraw/zinc/47/33/17/455473317.db2.gz GVMPRCMYIYSIAG-UWJYYQICSA-N 2 0 346.515 3.202 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182259686 455474211 /nfs/dbraw/zinc/47/42/11/455474211.db2.gz YWICFHXMHFEANG-JXFKEZNVSA-N 2 0 340.467 3.113 20 0 EGADRP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182269371 455476842 /nfs/dbraw/zinc/47/68/42/455476842.db2.gz PQAPJHJRUVXHKT-ACJLOTCBSA-N 2 0 345.512 3.177 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)OC(C)(C)C ZINC000267298726 455534531 /nfs/dbraw/zinc/53/45/31/455534531.db2.gz UCEMQCFKWCDPRO-WMZOPIPTSA-N 2 0 347.503 3.011 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247053232 455551908 /nfs/dbraw/zinc/55/19/08/455551908.db2.gz NJVOMQKRCJZLQT-QWFCFKBJSA-N 2 0 347.547 3.226 20 0 EGADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000182667140 455564119 /nfs/dbraw/zinc/56/41/19/455564119.db2.gz UCRRHAGUVKSPLF-KRWDZBQOSA-N 2 0 327.472 3.316 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767194 455617741 /nfs/dbraw/zinc/61/77/41/455617741.db2.gz MPKLUMRPMDMLHM-HZPDHXFCSA-N 2 0 347.478 3.397 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCC3CC3)cc2)CCCO1 ZINC000277642605 455621377 /nfs/dbraw/zinc/62/13/77/455621377.db2.gz CYOGNPAXRIPVOP-KRWDZBQOSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCC3CC3)cc2)CCCO1 ZINC000277642608 455621577 /nfs/dbraw/zinc/62/15/77/455621577.db2.gz CYOGNPAXRIPVOP-QGZVFWFLSA-N 2 0 332.488 3.066 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000185895256 455645918 /nfs/dbraw/zinc/64/59/18/455645918.db2.gz DQSZKRDGQDEVGP-UHFFFAOYSA-N 2 0 331.548 3.391 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271488630 455656761 /nfs/dbraw/zinc/65/67/61/455656761.db2.gz KDTZNDJPBQXVNX-PWRODBHTSA-N 2 0 348.506 3.360 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248003952 455669829 /nfs/dbraw/zinc/66/98/29/455669829.db2.gz KQFOZYSJXQPYDM-DAYGRLMNSA-N 2 0 349.906 3.392 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C2CC2)c1 ZINC000271523966 455671837 /nfs/dbraw/zinc/67/18/37/455671837.db2.gz PUACWTUQOZRXMY-FKBYEOEOSA-N 2 0 342.527 3.284 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000271553197 455682244 /nfs/dbraw/zinc/68/22/44/455682244.db2.gz VGXORQMKGZDSJK-SLFFLAALSA-N 2 0 332.463 3.171 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000192755006 455686754 /nfs/dbraw/zinc/68/67/54/455686754.db2.gz WOURDRFXTJYGOX-FPOVZHCZSA-N 2 0 329.532 3.281 20 0 EGADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccnc1 ZINC000186126635 455699315 /nfs/dbraw/zinc/69/93/15/455699315.db2.gz KMVKXBJUBYXYKS-ZCNNSNEGSA-N 2 0 331.504 3.280 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1F ZINC000248450991 455715910 /nfs/dbraw/zinc/71/59/10/455715910.db2.gz PHPVIVWZSIHPRO-MAUKXSAKSA-N 2 0 328.431 3.243 20 0 EGADRP COC(=O)c1cc([C@H](C)N2CCC[C@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778887 455754970 /nfs/dbraw/zinc/75/49/70/455754970.db2.gz YYIVBUPLQACKAE-HOCLYGCPSA-N 2 0 334.460 3.386 20 0 EGADRP COCC[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000269014077 455763471 /nfs/dbraw/zinc/76/34/71/455763471.db2.gz XZXXKGIOPLUMKO-SFHVURJKSA-N 2 0 334.504 3.072 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000269037405 455771160 /nfs/dbraw/zinc/77/11/60/455771160.db2.gz FSNAXBDXKXJAIQ-CVEARBPZSA-N 2 0 338.492 3.020 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCOCC2)c1 ZINC000269037467 455771203 /nfs/dbraw/zinc/77/12/03/455771203.db2.gz FTWCZBJHCIBWAE-WDSOQIARSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@H](NC1CC[NH+](C2CCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000269045474 455774478 /nfs/dbraw/zinc/77/44/78/455774478.db2.gz UZVMMGYDRJOESB-KRWDZBQOSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000271822205 455774972 /nfs/dbraw/zinc/77/49/72/455774972.db2.gz CKAUQYAHVKEBTH-ROUUACIJSA-N 2 0 348.531 3.466 20 0 EGADRP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249776592 455775331 /nfs/dbraw/zinc/77/53/31/455775331.db2.gz XBTIUVFGVWBVSS-MSOLQXFVSA-N 2 0 345.531 3.408 20 0 EGADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000285048456 455782718 /nfs/dbraw/zinc/78/27/18/455782718.db2.gz IKBNYCBTORCQOK-IPJUCJBFSA-N 2 0 345.531 3.322 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000186598524 455802263 /nfs/dbraw/zinc/80/22/63/455802263.db2.gz ALWDTMPDBMDGRS-KDOFPFPSSA-N 2 0 325.447 3.032 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000269196481 455808903 /nfs/dbraw/zinc/80/89/03/455808903.db2.gz VQHHPDPWWLSZJX-QFBILLFUSA-N 2 0 331.504 3.260 20 0 EGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000278349898 455824926 /nfs/dbraw/zinc/82/49/26/455824926.db2.gz HUATURPAUZTHQQ-LJQANCHMSA-N 2 0 348.556 3.400 20 0 EGADRP C[N@H+](CCOc1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285408852 455839606 /nfs/dbraw/zinc/83/96/06/455839606.db2.gz FUPHAUHWAKDUGK-YIONKMFJSA-N 2 0 326.843 3.415 20 0 EGADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285486654 455855487 /nfs/dbraw/zinc/85/54/87/455855487.db2.gz LTMXXFRCPPUXRA-SJPCQFCGSA-N 2 0 335.879 3.226 20 0 EGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000186981753 455859658 /nfs/dbraw/zinc/85/96/58/455859658.db2.gz DWVCSESUBKHNPX-NHCUHLMSSA-N 2 0 331.548 3.115 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCS2 ZINC000186985811 455860583 /nfs/dbraw/zinc/86/05/83/455860583.db2.gz XWVIRVJNSDOKJG-IBGZPJMESA-N 2 0 347.572 3.456 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000280073618 455884849 /nfs/dbraw/zinc/88/48/49/455884849.db2.gz XVXQKIQXBHUJRW-HOTGVXAUSA-N 2 0 337.939 3.448 20 0 EGADRP O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)c[nH]1 ZINC000623737610 460698954 /nfs/dbraw/zinc/69/89/54/460698954.db2.gz DQVPORYRGQIZOV-QUCCMNQESA-N 2 0 345.487 3.004 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(O)c1 ZINC000194908555 455899402 /nfs/dbraw/zinc/89/94/02/455899402.db2.gz RYPFHVMFAMBQBR-INIZCTEOSA-N 2 0 340.467 3.200 20 0 EGADRP CCn1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272329220 455915694 /nfs/dbraw/zinc/91/56/94/455915694.db2.gz MRQFGJBYVSDQNA-AOIWGVFYSA-N 2 0 326.488 3.464 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)[C@H]2CCCC[C@H]12 ZINC000261638280 455918082 /nfs/dbraw/zinc/91/80/82/455918082.db2.gz FLRSYXPZHWQLTO-UFHDJZAFSA-N 2 0 349.563 3.170 20 0 EGADRP CO[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000261643593 455919854 /nfs/dbraw/zinc/91/98/54/455919854.db2.gz IPAIXSABVPIEBU-IEBWSBKVSA-N 2 0 326.440 3.417 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272380757 455932451 /nfs/dbraw/zinc/93/24/51/455932451.db2.gz WHGODXSAIBMDMA-HQRMLTQVSA-N 2 0 338.499 3.298 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC000195250547 455937394 /nfs/dbraw/zinc/93/73/94/455937394.db2.gz GTIFCXPLEMSPQN-HUUCEWRRSA-N 2 0 342.430 3.267 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261745241 455939888 /nfs/dbraw/zinc/93/98/88/455939888.db2.gz PQFJCGRRRIMIBW-KKSFZXQISA-N 2 0 337.467 3.351 20 0 EGADRP CCN(CCCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000261760548 455942389 /nfs/dbraw/zinc/94/23/89/455942389.db2.gz VSFFOUANYUBHRZ-MSOLQXFVSA-N 2 0 331.504 3.045 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000280308926 455944055 /nfs/dbraw/zinc/94/40/55/455944055.db2.gz PKIJOMRDWVWWHW-WMLDXEAASA-N 2 0 344.421 3.490 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261787734 455947303 /nfs/dbraw/zinc/94/73/03/455947303.db2.gz URPRDRHCMUATDL-RBUKOAKNSA-N 2 0 326.488 3.182 20 0 EGADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000261829642 455956395 /nfs/dbraw/zinc/95/63/95/455956395.db2.gz PXDKGRYIVLMELD-NRFANRHFSA-N 2 0 347.466 3.105 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1Cl ZINC000195436842 455960249 /nfs/dbraw/zinc/96/02/49/455960249.db2.gz MIVIOUSFLBNSIH-UHFFFAOYSA-N 2 0 344.890 3.085 20 0 EGADRP COC[C@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)C1CCOCC1 ZINC000187876008 455963964 /nfs/dbraw/zinc/96/39/64/455963964.db2.gz GMRLZDPRBYRHFM-FQEVSTJZSA-N 2 0 334.504 3.058 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261886485 455966327 /nfs/dbraw/zinc/96/63/27/455966327.db2.gz VGMLBBGRXSCEGO-IEBWSBKVSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261942003 455974681 /nfs/dbraw/zinc/97/46/81/455974681.db2.gz NQFFHCQCSUMTTI-QFBILLFUSA-N 2 0 341.499 3.389 20 0 EGADRP C[NH2+]CCC1CCN(Cc2c(F)cccc2Br)CC1 ZINC000261956233 455977765 /nfs/dbraw/zinc/97/77/65/455977765.db2.gz ORLVMJIYAYYDNX-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000261986219 455983013 /nfs/dbraw/zinc/98/30/13/455983013.db2.gz JZXVYNJAOYIQOY-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000262007850 455984725 /nfs/dbraw/zinc/98/47/25/455984725.db2.gz SFEIJXRHTXVDOD-RDJZCZTQSA-N 2 0 349.544 3.122 20 0 EGADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000262032250 455987750 /nfs/dbraw/zinc/98/77/50/455987750.db2.gz XIFLKIMFYJAHNX-NWDGAFQWSA-N 2 0 338.377 3.265 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188060690 455989919 /nfs/dbraw/zinc/98/99/19/455989919.db2.gz HVRCZWLMOZNEPY-OAHLLOKOSA-N 2 0 341.455 3.043 20 0 EGADRP C[NH2+][C@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000262063067 455992345 /nfs/dbraw/zinc/99/23/45/455992345.db2.gz RHGYUUGSRNKBOX-AWEZNQCLSA-N 2 0 338.377 3.075 20 0 EGADRP CC(C)SCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286213161 456001494 /nfs/dbraw/zinc/00/14/94/456001494.db2.gz YKBLCNWGGISJJS-HXUWFJFHSA-N 2 0 347.572 3.020 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)CCC2)c1 ZINC000262132561 456001703 /nfs/dbraw/zinc/00/17/03/456001703.db2.gz OCDZYNWPLPOUCW-LPHOPBHVSA-N 2 0 332.488 3.051 20 0 EGADRP CS[C@H](CO)[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286336863 456026906 /nfs/dbraw/zinc/02/69/06/456026906.db2.gz YDBHESDKOIHZBC-GWFLUQINSA-N 2 0 336.545 3.132 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272670628 456033112 /nfs/dbraw/zinc/03/31/12/456033112.db2.gz KJTUVIGVVPRSRQ-YPAWHYETSA-N 3 0 339.527 3.139 20 0 EGADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000272715072 456050323 /nfs/dbraw/zinc/05/03/23/456050323.db2.gz CLTODMAALZJSBT-INIZCTEOSA-N 2 0 328.859 3.223 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000270846346 456051844 /nfs/dbraw/zinc/05/18/44/456051844.db2.gz WUGWVDMZJSXMRD-IOMROCGXSA-N 2 0 328.500 3.089 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000272848281 456089565 /nfs/dbraw/zinc/08/95/65/456089565.db2.gz ZQWBGPSEDIYEJD-NRFANRHFSA-N 2 0 349.478 3.414 20 0 EGADRP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272880096 456098872 /nfs/dbraw/zinc/09/88/72/456098872.db2.gz XQZZYPRNQXOZEP-WMZOPIPTSA-N 2 0 332.488 3.218 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000226349955 456108872 /nfs/dbraw/zinc/10/88/72/456108872.db2.gz NNQZIEFTEOPYOX-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236667264 456165302 /nfs/dbraw/zinc/16/53/02/456165302.db2.gz GBDXSICTTUVZCT-UFYCRDLUSA-N 2 0 343.515 3.064 20 0 EGADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236727886 456176398 /nfs/dbraw/zinc/17/63/98/456176398.db2.gz FXPKGDRZJKDLDL-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236749487 456178509 /nfs/dbraw/zinc/17/85/09/456178509.db2.gz ZSPDFDHODUEHKQ-QXAKKESOSA-N 2 0 331.504 3.093 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236774346 456182641 /nfs/dbraw/zinc/18/26/41/456182641.db2.gz PRZBUXPGEUHNHY-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000289959570 456196145 /nfs/dbraw/zinc/19/61/45/456196145.db2.gz WWAXYAIMPCLZTJ-YOEHRIQHSA-N 2 0 330.501 3.032 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000236908464 456199373 /nfs/dbraw/zinc/19/93/73/456199373.db2.gz GBRSNSYPXJHRNL-NRFANRHFSA-N 2 0 339.483 3.019 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000297376979 456203583 /nfs/dbraw/zinc/20/35/83/456203583.db2.gz ICMIFCDVYBOMPH-GOSISDBHSA-N 2 0 330.501 3.109 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000236939092 456205122 /nfs/dbraw/zinc/20/51/22/456205122.db2.gz VKZCTDDJXFBGBI-JLYLLQBASA-N 2 0 329.488 3.388 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000237043723 456223572 /nfs/dbraw/zinc/22/35/72/456223572.db2.gz BRPQMCWPNLCXNG-JQFCIGGWSA-N 2 0 339.911 3.213 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000237079796 456229326 /nfs/dbraw/zinc/22/93/26/456229326.db2.gz VPWFWRWKRVLZGV-MAUKXSAKSA-N 2 0 337.533 3.156 20 0 EGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCCCOc2ccccc2)CC1 ZINC000275663106 456279681 /nfs/dbraw/zinc/27/96/81/456279681.db2.gz DXCFHYLEEGPMFV-LJQANCHMSA-N 2 0 348.531 3.260 20 0 EGADRP CC[NH+]1CCN([C@@H](C)CNc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302098202 456286433 /nfs/dbraw/zinc/28/64/33/456286433.db2.gz TWJOGRVMFGBWKT-HNNXBMFYSA-N 2 0 326.488 3.290 20 0 EGADRP COC1CCC([NH+](C)C/C=C\C[N@@H+](C)C2CCC(OC)CC2)CC1 ZINC000340194535 456306041 /nfs/dbraw/zinc/30/60/41/456306041.db2.gz LQAZZLPOAXBWEN-WAYWQWQTSA-N 2 0 338.536 3.321 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000340201032 456311012 /nfs/dbraw/zinc/31/10/12/456311012.db2.gz IGPIBHOPCRQGJG-WMZOPIPTSA-N 2 0 336.520 3.495 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000290510815 456349918 /nfs/dbraw/zinc/34/99/18/456349918.db2.gz PORNVKSQGAJZQK-UHFFFAOYSA-N 2 0 337.471 3.423 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000290540004 456357991 /nfs/dbraw/zinc/35/79/91/456357991.db2.gz ZTSNPYRADVYCIN-LJQANCHMSA-N 2 0 325.456 3.189 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000347769123 456358332 /nfs/dbraw/zinc/35/83/32/456358332.db2.gz FMSURZDFHXSFBA-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP COc1cc2[nH+]ccc(N(C)CC3CC[NH+](C)CC3)c2cc1OC ZINC000298176304 456381419 /nfs/dbraw/zinc/38/14/19/456381419.db2.gz GGCVGAYIHGRNQM-UHFFFAOYSA-N 2 0 329.444 3.030 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccccc2OC)[C@H](C)C1 ZINC000276191400 456409822 /nfs/dbraw/zinc/40/98/22/456409822.db2.gz IEWVUPDBISYVOW-QUCCMNQESA-N 2 0 348.531 3.354 20 0 EGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1Cl ZINC000282141719 456424928 /nfs/dbraw/zinc/42/49/28/456424928.db2.gz CCUJRHCJRFEPEO-ZDUSSCGKSA-N 2 0 327.875 3.156 20 0 EGADRP C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347956992 456429222 /nfs/dbraw/zinc/42/92/22/456429222.db2.gz MXXBEOGWYUQEOM-HKARXFIJSA-N 2 0 334.529 3.037 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000282200597 456441188 /nfs/dbraw/zinc/44/11/88/456441188.db2.gz GTNWZXBCCYXPDG-MOPGFXCFSA-N 2 0 340.483 3.240 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cn1 ZINC000276305572 456441453 /nfs/dbraw/zinc/44/14/53/456441453.db2.gz XSYMWIPNOQZLMP-UHFFFAOYSA-N 2 0 328.435 3.354 20 0 EGADRP Cc1ncc2n1CC[C@@H](C(=O)Nc1ccc(CN(C)C)c(Cl)c1)C2 ZINC000290847406 456445346 /nfs/dbraw/zinc/44/53/46/456445346.db2.gz JKJQQORBLABUSR-CYBMUJFWSA-N 2 0 346.862 3.108 20 0 EGADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000343167866 456447805 /nfs/dbraw/zinc/44/78/05/456447805.db2.gz QIRHATORUHZCGT-PMACEKPBSA-N 2 0 341.499 3.029 20 0 EGADRP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000340497925 456493754 /nfs/dbraw/zinc/49/37/54/456493754.db2.gz NQUCXDKCNBIZGL-GOSISDBHSA-N 2 0 345.531 3.313 20 0 EGADRP CC(C)N1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000340524125 456509909 /nfs/dbraw/zinc/50/99/09/456509909.db2.gz FWILLZYPIZZGPG-GPJFCIFZSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657898459 462310890 /nfs/dbraw/zinc/31/08/90/462310890.db2.gz ONQIGEINVVWDEQ-GOSISDBHSA-N 2 0 343.559 3.112 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353204073 456556911 /nfs/dbraw/zinc/55/69/11/456556911.db2.gz LZJKURVXMMGFPT-NHCUHLMSSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000310056472 456578307 /nfs/dbraw/zinc/57/83/07/456578307.db2.gz LQIQPQBPDWOCHR-HLLBOEOZSA-N 2 0 339.524 3.094 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353294729 456617954 /nfs/dbraw/zinc/61/79/54/456617954.db2.gz WATNGKUCUKCNHM-CVEARBPZSA-N 2 0 331.495 3.064 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000277022556 456655371 /nfs/dbraw/zinc/65/53/71/456655371.db2.gz DJNOVBVWLPTITC-CQQLTZKSSA-N 2 0 348.506 3.218 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000277034075 456660479 /nfs/dbraw/zinc/66/04/79/456660479.db2.gz OKYMWLUQBOEODK-SFHVURJKSA-N 2 0 346.515 3.346 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000326593439 456696560 /nfs/dbraw/zinc/69/65/60/456696560.db2.gz DGIAJADEIPXZCQ-RTBURBONSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343563977 456708271 /nfs/dbraw/zinc/70/82/71/456708271.db2.gz NGQDDASLGISRDA-HDICACEKSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000353505827 456722434 /nfs/dbraw/zinc/72/24/34/456722434.db2.gz YYNJNXMKDSMDSB-LAUBAEHRSA-N 2 0 343.515 3.067 20 0 EGADRP CCCC[N@H+](CCC(=O)N1CCN(C)CC1)[C@H](C)c1ccccc1 ZINC000338236983 456724028 /nfs/dbraw/zinc/72/40/28/456724028.db2.gz WHKWGPHFNLRANR-GOSISDBHSA-N 2 0 331.504 3.014 20 0 EGADRP CC(C)N(C(=O)[C@@H](C)N(C)CCC[N@H+](C)Cc1ccco1)C(C)C ZINC000353571899 456771188 /nfs/dbraw/zinc/77/11/88/456771188.db2.gz IYVFWTRBEOQDKH-QGZVFWFLSA-N 2 0 337.508 3.067 20 0 EGADRP COc1ccc([C@@H](O)C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000291855080 456777713 /nfs/dbraw/zinc/77/77/13/456777713.db2.gz PEYCQFGDEWRQAH-TZIWHRDSSA-N 2 0 346.515 3.315 20 0 EGADRP COc1ccc([C@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000291855072 456778885 /nfs/dbraw/zinc/77/88/85/456778885.db2.gz PEYCQFGDEWRQAH-FPOVZHCZSA-N 2 0 346.515 3.315 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000353621788 456809032 /nfs/dbraw/zinc/80/90/32/456809032.db2.gz MWMIERQNNDPYGX-UHFFFAOYSA-N 2 0 338.879 3.464 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)CC(F)(F)F)CC1 ZINC000353646576 456826870 /nfs/dbraw/zinc/82/68/70/456826870.db2.gz QJYOKTRNWCGUEI-AQFXKWCLSA-N 2 0 344.421 3.333 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000292004396 456826883 /nfs/dbraw/zinc/82/68/83/456826883.db2.gz VNBYTFBASHFTCK-GOSISDBHSA-N 2 0 345.531 3.134 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc21 ZINC000338687372 456853005 /nfs/dbraw/zinc/85/30/05/456853005.db2.gz OJUGGZZCYWHQGW-OALUTQOASA-N 2 0 332.488 3.488 20 0 EGADRP C[N@H+](CCc1cccc(NC(=O)Cc2cn3ccccc3n2)c1)C1CC1 ZINC000341521986 456873843 /nfs/dbraw/zinc/87/38/43/456873843.db2.gz FOTKSTVIRZQMLV-UHFFFAOYSA-N 2 0 348.450 3.152 20 0 EGADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971118 456984299 /nfs/dbraw/zinc/98/42/99/456984299.db2.gz IGELWSAVSVCKFM-HKUYNNGSSA-N 2 0 333.520 3.152 20 0 EGADRP COCCC[NH+]1CCC([NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000349645665 457004544 /nfs/dbraw/zinc/00/45/44/457004544.db2.gz LZPHMLBNAKWALM-UHFFFAOYSA-N 2 0 329.488 3.375 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000349670745 457011876 /nfs/dbraw/zinc/01/18/76/457011876.db2.gz VWOJCYBJMCBWOC-GOSISDBHSA-N 2 0 332.488 3.381 20 0 EGADRP CCn1nccc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000354044060 457030278 /nfs/dbraw/zinc/03/02/78/457030278.db2.gz DXIOSASURZJSAC-UHFFFAOYSA-N 2 0 338.499 3.391 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000362711398 457055178 /nfs/dbraw/zinc/05/51/78/457055178.db2.gz KQBCAXPWKRMSHG-APWZRJJASA-N 2 0 329.488 3.199 20 0 EGADRP CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+](C)C ZINC000359213013 457065142 /nfs/dbraw/zinc/06/51/42/457065142.db2.gz OGIZPCQLCPWDPN-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP Cc1ccncc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354159752 457099856 /nfs/dbraw/zinc/09/98/56/457099856.db2.gz VVOISVKHIYPFCK-QZTJIDSGSA-N 2 0 339.483 3.289 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342113203 457113964 /nfs/dbraw/zinc/11/39/64/457113964.db2.gz BLUXQQUYLXTHMN-HYEGPXJVSA-N 2 0 337.467 3.226 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346692887 457114945 /nfs/dbraw/zinc/11/49/45/457114945.db2.gz JOEUTBUBWABJPZ-KXBFYZLASA-N 2 0 326.488 3.026 20 0 EGADRP Fc1ccc(/C=C\C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000349960646 457122793 /nfs/dbraw/zinc/12/27/93/457122793.db2.gz FZFBRCISPWKLIS-UPHRSURJSA-N 2 0 336.426 3.022 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225750 457141636 /nfs/dbraw/zinc/14/16/36/457141636.db2.gz YLUPRWXLRNSYPL-RHSMWYFYSA-N 2 0 337.895 3.473 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000359932406 457154940 /nfs/dbraw/zinc/15/49/40/457154940.db2.gz GAPBTCWPVPUFOA-LVCYWYKZSA-N 3 0 329.532 3.491 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000356810256 457179615 /nfs/dbraw/zinc/17/96/15/457179615.db2.gz KYRVQCDRFSBEBN-DLBZAZTESA-N 2 0 333.520 3.180 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347042759 457199928 /nfs/dbraw/zinc/19/99/28/457199928.db2.gz MBUOKMSSJUTCHC-FUHWJXTLSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000356894406 457203794 /nfs/dbraw/zinc/20/37/94/457203794.db2.gz NOQXPUIUIQMQIO-VQIMIIECSA-N 2 0 334.467 3.455 20 0 EGADRP Clc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000356940112 457232905 /nfs/dbraw/zinc/23/29/05/457232905.db2.gz WYGOJHQXXLXBBD-UHFFFAOYSA-N 2 0 326.868 3.257 20 0 EGADRP CCc1ncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000356942934 457234263 /nfs/dbraw/zinc/23/42/63/457234263.db2.gz AOANCJXTLSBZCB-UHFFFAOYSA-N 2 0 337.533 3.030 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000354481709 457250438 /nfs/dbraw/zinc/25/04/38/457250438.db2.gz ACZDRSDYONJLGO-UHFFFAOYSA-N 2 0 339.483 3.442 20 0 EGADRP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC000360128670 457267553 /nfs/dbraw/zinc/26/75/53/457267553.db2.gz IDUAHGABWZKJLO-CQSZACIVSA-N 2 0 344.459 3.080 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357019181 457280365 /nfs/dbraw/zinc/28/03/65/457280365.db2.gz VVTSSPURVRLOAO-OKZBNKHCSA-N 2 0 337.552 3.266 20 0 EGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)cc1 ZINC000347194387 457282061 /nfs/dbraw/zinc/28/20/61/457282061.db2.gz GVXBTDVUSHHWRU-ZDUSSCGKSA-N 2 0 331.485 3.378 20 0 EGADRP c1nc(-c2ccccn2)sc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357043657 457294358 /nfs/dbraw/zinc/29/43/58/457294358.db2.gz GVJRRGTVOHHTNQ-OAHLLOKOSA-N 2 0 328.485 3.027 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357060850 457304052 /nfs/dbraw/zinc/30/40/52/457304052.db2.gz YNDGHMXJGLDNPH-INIZCTEOSA-N 2 0 328.435 3.037 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)CC1)CC1CC1 ZINC000357085671 457314292 /nfs/dbraw/zinc/31/42/92/457314292.db2.gz NIDLACHPWQHGRM-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357088319 457315628 /nfs/dbraw/zinc/31/56/28/457315628.db2.gz RPWCTYWTMPZFES-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](CCOCC[NH3+])[C@@H](C)c1ccccc1Br ZINC000357102220 457323359 /nfs/dbraw/zinc/32/33/59/457323359.db2.gz JAUWBAPWDJAQJF-ZDUSSCGKSA-N 2 0 329.282 3.197 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000357109157 457327879 /nfs/dbraw/zinc/32/78/79/457327879.db2.gz HLDVHDYCQCCIDC-FCGDIQPGSA-N 2 0 337.552 3.120 20 0 EGADRP Cc1cnc([C@H](C)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447235 457374156 /nfs/dbraw/zinc/37/41/56/457374156.db2.gz JNUVTPRJWSOCAD-YTQUADARSA-N 2 0 325.456 3.498 20 0 EGADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000352488006 457408563 /nfs/dbraw/zinc/40/85/63/457408563.db2.gz LCSBOYCWSZICSG-LJQANCHMSA-N 2 0 325.456 3.364 20 0 EGADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000360932930 457442970 /nfs/dbraw/zinc/44/29/70/457442970.db2.gz HTHNBWGOMDGKFW-NRFANRHFSA-N 2 0 338.499 3.335 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000342695691 457460896 /nfs/dbraw/zinc/46/08/96/457460896.db2.gz PRLNAMXIWZFGTN-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1)CC1CC1 ZINC000356122365 457466241 /nfs/dbraw/zinc/46/62/41/457466241.db2.gz GUJDZKBBMMAWPN-UHFFFAOYSA-N 2 0 341.503 3.244 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000393893079 457470003 /nfs/dbraw/zinc/47/00/03/457470003.db2.gz SLTDUMAVQGYACZ-IRXDYDNUSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000395653033 457478930 /nfs/dbraw/zinc/47/89/30/457478930.db2.gz YYNPQGLTZHWTTG-BHIYHBOVSA-N 2 0 345.531 3.037 20 0 EGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)c2C1 ZINC000352633617 457496878 /nfs/dbraw/zinc/49/68/78/457496878.db2.gz QLVVBHXIIPOZLZ-HZPDHXFCSA-N 2 0 329.488 3.470 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400376552 457513786 /nfs/dbraw/zinc/51/37/86/457513786.db2.gz VQOXOOKSBZUZBK-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000374215472 457526044 /nfs/dbraw/zinc/52/60/44/457526044.db2.gz CJAHLZHDTHCVIU-ICSRJNTNSA-N 2 0 344.547 3.032 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000374218663 457527936 /nfs/dbraw/zinc/52/79/36/457527936.db2.gz UEGXRSMCOXEHBL-RBUKOAKNSA-N 2 0 344.547 3.032 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000342806369 457536247 /nfs/dbraw/zinc/53/62/47/457536247.db2.gz QARIIYRDXFZCLP-YLJYHZDGSA-N 2 0 332.488 3.064 20 0 EGADRP CO[C@@H](C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000425417377 457544495 /nfs/dbraw/zinc/54/44/95/457544495.db2.gz HOWDNNWAWHRZAR-FQEVSTJZSA-N 2 0 328.500 3.400 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CCCCc3ccccc3)CC2)CC1 ZINC000364361873 457579650 /nfs/dbraw/zinc/57/96/50/457579650.db2.gz WUSAVMSSRYYZPF-UHFFFAOYSA-N 2 0 343.559 3.359 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361105686 457584225 /nfs/dbraw/zinc/58/42/25/457584225.db2.gz MNNAYHLDSYBEMV-ICSRJNTNSA-N 2 0 326.488 3.164 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000364450953 457609326 /nfs/dbraw/zinc/60/93/26/457609326.db2.gz UPSXPTWMUOIQJF-ZYSHUDEJSA-N 2 0 344.503 3.494 20 0 EGADRP COc1ccc2oc([C@@H](C)[NH2+]CC3CC[NH+](CCO)CC3)c(C)c2c1 ZINC000361173107 457628149 /nfs/dbraw/zinc/62/81/49/457628149.db2.gz AHHKLRIKOAGBRB-OAHLLOKOSA-N 2 0 346.471 3.105 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000357669123 457648593 /nfs/dbraw/zinc/64/85/93/457648593.db2.gz WHECZACSKMZYHW-QGZVFWFLSA-N 2 0 348.535 3.056 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000425933513 457654830 /nfs/dbraw/zinc/65/48/30/457654830.db2.gz VADDSXNEKPVBII-OXJNMPFZSA-N 2 0 327.472 3.161 20 0 EGADRP CCC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC)cc1 ZINC000370625040 457684832 /nfs/dbraw/zinc/68/48/32/457684832.db2.gz UCJHVCCABPLSER-GHTZIAJQSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCC[NH2+]1 ZINC000357815783 457700532 /nfs/dbraw/zinc/70/05/32/457700532.db2.gz NDEAYPZCDWHNKV-FQEVSTJZSA-N 2 0 329.488 3.186 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000357856808 457713498 /nfs/dbraw/zinc/71/34/98/457713498.db2.gz UPEHNDDEMHSJEZ-INIZCTEOSA-N 2 0 334.504 3.346 20 0 EGADRP C[C@@]1(CO)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361432812 457729943 /nfs/dbraw/zinc/72/99/43/457729943.db2.gz VFBWGMXFSOGJLQ-OSYNSWQESA-N 2 0 328.500 3.323 20 0 EGADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000358021163 457742236 /nfs/dbraw/zinc/74/22/36/457742236.db2.gz MKDVONUTLXCQCW-UZLBHIALSA-N 2 0 326.488 3.043 20 0 EGADRP CC(C)CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)(C)C ZINC000433124473 457761843 /nfs/dbraw/zinc/76/18/43/457761843.db2.gz CQZAAZARKKQJBX-KRWDZBQOSA-N 2 0 325.541 3.157 20 0 EGADRP CCCCC1CCC(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433128865 457763303 /nfs/dbraw/zinc/76/33/03/457763303.db2.gz BTMFFGGAXSNJEA-UHFFFAOYSA-N 2 0 337.552 3.303 20 0 EGADRP CC(C)CSCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000443627056 457791169 /nfs/dbraw/zinc/79/11/69/457791169.db2.gz ITXKDGNOAOEYLX-UHFFFAOYSA-N 2 0 328.566 3.200 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411308558 457856830 /nfs/dbraw/zinc/85/68/30/457856830.db2.gz OVGDEEJUNAXFFZ-HXUWFJFHSA-N 2 0 341.499 3.476 20 0 EGADRP c1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)ccc1C[NH+]1CCCCC1 ZINC000411323619 457857920 /nfs/dbraw/zinc/85/79/20/457857920.db2.gz LMLIWQOPPFHYRJ-UXHICEINSA-N 2 0 346.540 3.379 20 0 EGADRP CC(C)N1CC[NH+](C2CCN(Cc3csc(C4CC4)n3)CC2)CC1 ZINC000371342782 457874789 /nfs/dbraw/zinc/87/47/89/457874789.db2.gz ZPASMDQVYZGZPI-UHFFFAOYSA-N 2 0 348.560 3.011 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000411420266 457882456 /nfs/dbraw/zinc/88/24/56/457882456.db2.gz JHCPPVYLKWLVQE-SFTDATJTSA-N 2 0 345.506 3.172 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CCOCC5)[C@@H]3C2)cc1 ZINC000433776109 457883079 /nfs/dbraw/zinc/88/30/79/457883079.db2.gz XCBRIEGBCRLNJE-BURNTYAHSA-N 2 0 340.511 3.303 20 0 EGADRP Cc1ccc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)ccc2n1 ZINC000375356395 457895071 /nfs/dbraw/zinc/89/50/71/457895071.db2.gz NJLWDBWXKLJNQO-HMXCVIKNSA-N 2 0 339.483 3.227 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000411492167 457902795 /nfs/dbraw/zinc/90/27/95/457902795.db2.gz WHMMGKAEEOMLAS-FQEVSTJZSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000367030344 457921180 /nfs/dbraw/zinc/92/11/80/457921180.db2.gz QDICERZQCGGINB-RXVVDRJESA-N 2 0 329.532 3.268 20 0 EGADRP OCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCSC1 ZINC000411664897 457943137 /nfs/dbraw/zinc/94/31/37/457943137.db2.gz JMLVBZULLJIUBJ-HXUWFJFHSA-N 2 0 348.556 3.362 20 0 EGADRP CC[C@H]1C[NH+](CCC(C)CC[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000411674912 457947251 /nfs/dbraw/zinc/94/72/51/457947251.db2.gz NDWXPZKDTCPPPO-PMACEKPBSA-N 2 0 340.552 3.405 20 0 EGADRP CC(C)[N@H+](CCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1 ZINC000444811501 457983478 /nfs/dbraw/zinc/98/34/78/457983478.db2.gz IBJZMSZBLOSPRF-IBGZPJMESA-N 2 0 334.504 3.013 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C2CCC2)cc1 ZINC000427694825 458024090 /nfs/dbraw/zinc/02/40/90/458024090.db2.gz DVNHNZOLWFCPCI-WOJBJXKFSA-N 2 0 343.515 3.013 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[NH+](CC)CC ZINC000434665969 458032872 /nfs/dbraw/zinc/03/28/72/458032872.db2.gz QHPJAROCXAIREN-OALUTQOASA-N 2 0 327.472 3.076 20 0 EGADRP Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000375738537 458043987 /nfs/dbraw/zinc/04/39/87/458043987.db2.gz PCHQHCQWYRBSID-VAMGGRTRSA-N 2 0 338.499 3.119 20 0 EGADRP Cc1nccn1CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375755713 458051000 /nfs/dbraw/zinc/05/10/00/458051000.db2.gz UDPSABOXLVILAB-NRFANRHFSA-N 3 0 338.499 3.180 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCCC34CC[NH+](C)CC4)c1)O[C@H](C)C2 ZINC000368966762 458067074 /nfs/dbraw/zinc/06/70/74/458067074.db2.gz RCCZDMBRPBGOCU-OAHLLOKOSA-N 2 0 330.472 3.079 20 0 EGADRP CCc1nc(C)c(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000428218533 458101253 /nfs/dbraw/zinc/10/12/53/458101253.db2.gz BVVBQZFVBDZXKW-HOTGVXAUSA-N 2 0 349.519 3.257 20 0 EGADRP C[C@@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435368295 458120378 /nfs/dbraw/zinc/12/03/78/458120378.db2.gz AIDZHLOFUNOKQC-RISCZKNCSA-N 2 0 349.276 3.008 20 0 EGADRP COc1ccc(OCc2ccccn2)c(CN(C)CC(C)(C)C[NH3+])c1 ZINC000435379296 458128044 /nfs/dbraw/zinc/12/80/44/458128044.db2.gz LYTRFOWFNYYSBO-UHFFFAOYSA-N 2 0 343.471 3.086 20 0 EGADRP COc1cc(CN2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435378303 458128260 /nfs/dbraw/zinc/12/82/60/458128260.db2.gz CUGPYMZIJMDHOV-SFHVURJKSA-N 2 0 326.440 3.055 20 0 EGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000435381936 458130499 /nfs/dbraw/zinc/13/04/99/458130499.db2.gz WTBUQKSZWXIRDW-OAHLLOKOSA-N 2 0 342.487 3.094 20 0 EGADRP CCn1ccnc1C[N@H+](CC1CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432573 458144734 /nfs/dbraw/zinc/14/47/34/458144734.db2.gz JGYMTJFSFFVCII-GOSISDBHSA-N 2 0 330.520 3.427 20 0 EGADRP CCN(Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000435611525 458172824 /nfs/dbraw/zinc/17/28/24/458172824.db2.gz BHQRLIMPIXUXKU-QGZVFWFLSA-N 2 0 338.499 3.325 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000435726234 458191542 /nfs/dbraw/zinc/19/15/42/458191542.db2.gz NIQYEWPBMBPNHC-UHFFFAOYSA-N 2 0 326.444 3.190 20 0 EGADRP C[NH2+]CCCN(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000435882858 458217894 /nfs/dbraw/zinc/21/78/94/458217894.db2.gz HGHSBTAIALWYCV-UHFFFAOYSA-N 2 0 328.456 3.316 20 0 EGADRP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000446825797 458232595 /nfs/dbraw/zinc/23/25/95/458232595.db2.gz KVDNFLVBUQUCAJ-FPOVZHCZSA-N 2 0 330.516 3.346 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN(Cc2ccccc2)C1 ZINC000446890856 458242689 /nfs/dbraw/zinc/24/26/89/458242689.db2.gz QDHBJGMNPGAUBP-WIYYLYMNSA-N 2 0 341.543 3.361 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000428978630 458246204 /nfs/dbraw/zinc/24/62/04/458246204.db2.gz KRULSVWMWSHQBU-QFBILLFUSA-N 2 0 331.504 3.036 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@]12CCCO2 ZINC000376282849 458257975 /nfs/dbraw/zinc/25/79/75/458257975.db2.gz BSLCLYJHYLLEQL-ZCNNSNEGSA-N 2 0 336.520 3.100 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000429288933 458309399 /nfs/dbraw/zinc/30/93/99/458309399.db2.gz BCAGMLPNYQDKTN-MOPGFXCFSA-N 2 0 331.504 3.166 20 0 EGADRP Cc1cnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000447583934 458315875 /nfs/dbraw/zinc/31/58/75/458315875.db2.gz DHUNZDMVXZRRKN-OWZKRDHZSA-N 2 0 336.483 3.113 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447599345 458318779 /nfs/dbraw/zinc/31/87/79/458318779.db2.gz JPBGRZSQNGDBNZ-PXNSSMCTSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447599347 458319434 /nfs/dbraw/zinc/31/94/34/458319434.db2.gz JPBGRZSQNGDBNZ-YLJYHZDGSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOCC3CCCC3)CC2)C[C@H](C)O1 ZINC000459319912 458328111 /nfs/dbraw/zinc/32/81/11/458328111.db2.gz FBTFBRPMFGFBHQ-HDICACEKSA-N 2 0 338.536 3.014 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)CC2)c1 ZINC000429541242 458342327 /nfs/dbraw/zinc/34/23/27/458342327.db2.gz VOMGIWBKEJRFTL-LJQANCHMSA-N 2 0 346.515 3.408 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000447812229 458344962 /nfs/dbraw/zinc/34/49/62/458344962.db2.gz KOHJPQHKDIMTQS-HNNXBMFYSA-N 2 0 341.902 3.027 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC2CC[NH+](C3CC3)CC2)CC1 ZINC000459413103 458363136 /nfs/dbraw/zinc/36/31/36/458363136.db2.gz NZGSPNVFKOOHRG-KRWDZBQOSA-N 2 0 327.516 3.428 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459462376 458380158 /nfs/dbraw/zinc/38/01/58/458380158.db2.gz LFCSHDYEWYLITQ-SFHVURJKSA-N 2 0 338.499 3.231 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459463975 458380386 /nfs/dbraw/zinc/38/03/86/458380386.db2.gz HTRHWIDMMLRZAY-ROUUACIJSA-N 2 0 344.547 3.397 20 0 EGADRP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CCO1 ZINC000373202031 458428012 /nfs/dbraw/zinc/42/80/12/458428012.db2.gz MVSICXTUAOCOFF-VQTJNVASSA-N 2 0 331.504 3.229 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000423428304 458431424 /nfs/dbraw/zinc/43/14/24/458431424.db2.gz GJJVMVLDLCYYPB-GUXCAODWSA-N 2 0 337.467 3.099 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423440262 458433845 /nfs/dbraw/zinc/43/38/45/458433845.db2.gz ORSRJVGULWHYAO-AYOQOUSVSA-N 2 0 331.504 3.337 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000423453181 458435622 /nfs/dbraw/zinc/43/56/22/458435622.db2.gz AGVNFHPEPOYYSB-JLZZUVOBSA-N 2 0 337.305 3.414 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(F)cc1 ZINC000423456434 458435767 /nfs/dbraw/zinc/43/57/67/458435767.db2.gz GWCBITICOKRYIY-QRTARXTBSA-N 2 0 330.451 3.488 20 0 EGADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000423494592 458443720 /nfs/dbraw/zinc/44/37/20/458443720.db2.gz AZOKUKXRLVASRJ-BEFAXECRSA-N 2 0 346.496 3.221 20 0 EGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423522790 458451783 /nfs/dbraw/zinc/45/17/83/458451783.db2.gz RSWPPNMAYZSNHC-LSDHHAIUSA-N 2 0 328.909 3.179 20 0 EGADRP C[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423536256 458453865 /nfs/dbraw/zinc/45/38/65/458453865.db2.gz ZEOSPZHCSFITBE-CIAFKFPVSA-N 2 0 335.495 3.167 20 0 EGADRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000423540057 458454714 /nfs/dbraw/zinc/45/47/14/458454714.db2.gz CPYCLBJOSQSVFM-CYGHRXIMSA-N 2 0 344.890 3.141 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000423544306 458455837 /nfs/dbraw/zinc/45/58/37/458455837.db2.gz INVAQIPFEXBDHM-AFJOWOCMSA-N 2 0 342.483 3.146 20 0 EGADRP COc1cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)ccc1OC(F)F ZINC000423567116 458457949 /nfs/dbraw/zinc/45/79/49/458457949.db2.gz UUHKPEXLMNBQOY-LBPRGKRZSA-N 2 0 326.387 3.257 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586026 458466738 /nfs/dbraw/zinc/46/67/38/458466738.db2.gz XTVGFDCQAMDRFZ-MSOLQXFVSA-N 2 0 343.515 3.412 20 0 EGADRP CC(C)(C)C[C@H](NC(=O)CN1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611872 458472083 /nfs/dbraw/zinc/47/20/83/458472083.db2.gz PXKYFQADMAFIHO-QAPCUYQASA-N 2 0 349.494 3.090 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC3 ZINC000459786681 458478863 /nfs/dbraw/zinc/47/88/63/458478863.db2.gz PGPDYFPLLGCSQV-HZPDHXFCSA-N 2 0 341.499 3.355 20 0 EGADRP CCC1(CC)CN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000423779425 458482354 /nfs/dbraw/zinc/48/23/54/458482354.db2.gz UXFSBACIYRIMGM-UHFFFAOYSA-N 2 0 343.515 3.294 20 0 EGADRP C[C@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000423802000 458486204 /nfs/dbraw/zinc/48/62/04/458486204.db2.gz URPDPYIGDPGSJZ-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430916565 458504819 /nfs/dbraw/zinc/50/48/19/458504819.db2.gz VRKLEYQDDGSARI-UHFFFAOYSA-N 2 0 342.462 3.204 20 0 EGADRP C[C@H](NC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1)c1cccc2ccccc21 ZINC000430929823 458506839 /nfs/dbraw/zinc/50/68/39/458506839.db2.gz RAKLJONDQRRKJU-OLPIVMHESA-N 2 0 339.483 3.075 20 0 EGADRP C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633602 458507359 /nfs/dbraw/zinc/50/73/59/458507359.db2.gz VRGAQWCTNRZOCC-BKBDBRRMSA-N 2 0 327.516 3.190 20 0 EGADRP Clc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430937126 458508069 /nfs/dbraw/zinc/50/80/69/458508069.db2.gz ZJKYLRKNUSNHFM-UHFFFAOYSA-N 2 0 330.863 3.306 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909734 458511482 /nfs/dbraw/zinc/51/14/82/458511482.db2.gz UJPVBLYBXJLBLU-DYXWJJEUSA-N 2 0 343.515 3.017 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)[C@@H](C)C1 ZINC000468548164 458527207 /nfs/dbraw/zinc/52/72/07/458527207.db2.gz NRGYFANFRSZEDO-XJKSGUPXSA-N 2 0 325.294 3.312 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)Cc1ccccc1 ZINC000468776284 458536031 /nfs/dbraw/zinc/53/60/31/458536031.db2.gz AYRNXYDXONLYIQ-JBACZVJFSA-N 2 0 331.548 3.259 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000438198411 458547877 /nfs/dbraw/zinc/54/78/77/458547877.db2.gz JPFNJOZVINYDQN-QCEMKRCNSA-N 2 0 334.426 3.075 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000469285082 458564694 /nfs/dbraw/zinc/56/46/94/458564694.db2.gz SKOCHUXAVUCYKD-OALUTQOASA-N 2 0 330.516 3.440 20 0 EGADRP [NH3+][C@@H](CCC(=O)Nc1c[nH+]ccc1-n1ccnc1)CC1CCCCC1 ZINC000424141068 458569085 /nfs/dbraw/zinc/56/90/85/458569085.db2.gz GQNWEQCGIFCCRK-INIZCTEOSA-N 2 0 341.459 3.284 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462057928 458590685 /nfs/dbraw/zinc/59/06/85/458590685.db2.gz KVYRVUAGDUTMPL-QZTJIDSGSA-N 2 0 335.536 3.164 20 0 EGADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000438581449 458602952 /nfs/dbraw/zinc/60/29/52/458602952.db2.gz QUSROELOSGPRCR-HXUWFJFHSA-N 2 0 343.515 3.032 20 0 EGADRP OC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC000438598757 458604829 /nfs/dbraw/zinc/60/48/29/458604829.db2.gz AXANKCFUYVXBMA-UXHICEINSA-N 2 0 328.500 3.278 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287681 458605775 /nfs/dbraw/zinc/60/57/75/458605775.db2.gz JOQJYZLYQKDNMY-AWEZNQCLSA-N 2 0 335.879 3.051 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431722483 458612871 /nfs/dbraw/zinc/61/28/71/458612871.db2.gz MFPUTOMMRLXOBG-IEBWSBKVSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431741860 458615568 /nfs/dbraw/zinc/61/55/68/458615568.db2.gz SGZZMUKZYBHCEG-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000438821461 458616618 /nfs/dbraw/zinc/61/66/18/458616618.db2.gz SCFPTOPQZUCECF-SUMWQHHRSA-N 2 0 339.430 3.098 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000431759698 458618483 /nfs/dbraw/zinc/61/84/83/458618483.db2.gz PQPQPKDLGUBEBL-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C3(CCCCC3)C2)CC1 ZINC000462451888 458621563 /nfs/dbraw/zinc/62/15/63/458621563.db2.gz LKWWHYGRTNQFCC-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnn(-c3ccc(Cl)cc3)c1)CC[NH2+]CC2 ZINC000424385687 458631358 /nfs/dbraw/zinc/63/13/58/458631358.db2.gz WIROHWYRBRSPOH-OAHLLOKOSA-N 2 0 344.890 3.490 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000424424916 458639235 /nfs/dbraw/zinc/63/92/35/458639235.db2.gz IXAIGYHYBJFPTC-BEFAXECRSA-N 2 0 340.471 3.267 20 0 EGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456355061 458643085 /nfs/dbraw/zinc/64/30/85/458643085.db2.gz PUXQXQZJZAZQTE-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP CC(C)C1CCC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000462772341 458652277 /nfs/dbraw/zinc/65/22/77/458652277.db2.gz JQEMOFLMEHHNTO-UHFFFAOYSA-N 2 0 344.547 3.398 20 0 EGADRP C[N@@H+](CCc1cccc(Br)c1)CC[C@@H]1CCC[NH+]1C ZINC000463423815 458697058 /nfs/dbraw/zinc/69/70/58/458697058.db2.gz LTTKNPGWPALRPJ-INIZCTEOSA-N 2 0 325.294 3.408 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530249283 458730652 /nfs/dbraw/zinc/73/06/52/458730652.db2.gz UQELSBRBSJCJSL-OAHLLOKOSA-N 2 0 337.533 3.031 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000432419115 458737787 /nfs/dbraw/zinc/73/77/87/458737787.db2.gz ZCYBTOMJHNLPHB-YCHQTSKFSA-N 2 0 328.500 3.038 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000471856086 458743350 /nfs/dbraw/zinc/74/33/50/458743350.db2.gz KAAVMWORSAHYFE-UHFFFAOYSA-N 2 0 340.556 3.014 20 0 EGADRP C[C@H]([NH2+][C@H](CO)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547503488 458751181 /nfs/dbraw/zinc/75/11/81/458751181.db2.gz KYQBYUAZMFAOSG-IOMROCGXSA-N 2 0 330.516 3.428 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000472265562 458778731 /nfs/dbraw/zinc/77/87/31/458778731.db2.gz SIMOCRGVZKBKHT-INIZCTEOSA-N 2 0 340.895 3.152 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC23CCCC3)c2ccccc2)CC1 ZINC000530545837 458787403 /nfs/dbraw/zinc/78/74/03/458787403.db2.gz OBBVYUKOLPDHOV-VQTJNVASSA-N 2 0 327.516 3.288 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([N@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432800875 458789545 /nfs/dbraw/zinc/78/95/45/458789545.db2.gz RNTJHQASIDIRFY-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440262458 458798240 /nfs/dbraw/zinc/79/82/40/458798240.db2.gz BXWILGSHYYPHRZ-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@@]2(C[C@H]1c1ccccc1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000514823991 458801006 /nfs/dbraw/zinc/80/10/06/458801006.db2.gz ITNOIBLPFXIHDU-FXAWDEMLSA-N 2 0 346.438 3.106 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000548064860 458831959 /nfs/dbraw/zinc/83/19/59/458831959.db2.gz JPSZQOMQPLUVFI-YLJYHZDGSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000495514355 458871923 /nfs/dbraw/zinc/87/19/23/458871923.db2.gz YRANGGPMLICYIK-QGZVFWFLSA-N 2 0 339.524 3.099 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000457134100 458879663 /nfs/dbraw/zinc/87/96/63/458879663.db2.gz VTCONVAXFISGIQ-LJQANCHMSA-N 2 0 331.504 3.083 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC000518999470 458906763 /nfs/dbraw/zinc/90/67/63/458906763.db2.gz CDYJMPKDTIJBGT-IRXDYDNUSA-N 2 0 330.472 3.129 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000495666215 458913881 /nfs/dbraw/zinc/91/38/81/458913881.db2.gz AMASJRCHEZRXSS-DLBZAZTESA-N 2 0 339.524 3.288 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000531687887 458960281 /nfs/dbraw/zinc/96/02/81/458960281.db2.gz CFRRATJBVNMDED-DEPWHIHDSA-N 2 0 329.532 3.142 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000577055115 458970991 /nfs/dbraw/zinc/97/09/91/458970991.db2.gz IOSXMMCEBJJZDR-IBGZPJMESA-N 2 0 348.531 3.045 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)C[NH+]1CCCCC1 ZINC000531938273 459004026 /nfs/dbraw/zinc/00/40/26/459004026.db2.gz YWGPAZCLDZRTDM-HZPDHXFCSA-N 2 0 329.488 3.344 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324059 459014908 /nfs/dbraw/zinc/01/49/08/459014908.db2.gz HNBRVHAZRDMTAN-CVEARBPZSA-N 2 0 330.501 3.361 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556870154 459026005 /nfs/dbraw/zinc/02/60/05/459026005.db2.gz DTVZKTBYCPHRAE-PDGJWGCVSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000556909705 459030646 /nfs/dbraw/zinc/03/06/46/459030646.db2.gz IVCIEFJMHMLZAI-PBFPGSCMSA-N 2 0 326.431 3.441 20 0 EGADRP O=C1OCCN1c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000496045225 459047825 /nfs/dbraw/zinc/04/78/25/459047825.db2.gz MJTOTRWHALNLSU-GUDVDZBRSA-N 2 0 343.471 3.044 20 0 EGADRP C[C@@H](O)[C@](C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000577571593 459050861 /nfs/dbraw/zinc/05/08/61/459050861.db2.gz UOZUZZIEZWJAHA-UTKZUKDTSA-N 2 0 330.516 3.080 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477915594 459066120 /nfs/dbraw/zinc/06/61/20/459066120.db2.gz LDXTWQMKFRUMMX-SFHVURJKSA-N 3 0 347.547 3.400 20 0 EGADRP Fc1ccc(COc2cccc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000577633712 459066360 /nfs/dbraw/zinc/06/63/60/459066360.db2.gz VBWWZYNTRIHYMX-RTBURBONSA-N 2 0 340.442 3.446 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000443062236 459080960 /nfs/dbraw/zinc/08/09/60/459080960.db2.gz TXXWANZBZDCJJU-QGZVFWFLSA-N 2 0 337.467 3.353 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765318 459091327 /nfs/dbraw/zinc/09/13/27/459091327.db2.gz YKNBZPPRMMGSQX-APWZRJJASA-N 2 0 337.467 3.028 20 0 EGADRP CC(C)=CCC[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000532485824 459096753 /nfs/dbraw/zinc/09/67/53/459096753.db2.gz UADJUPZRNRYFFC-LJQANCHMSA-N 2 0 345.535 3.103 20 0 EGADRP CC[C@@H](C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000532499177 459099990 /nfs/dbraw/zinc/09/99/90/459099990.db2.gz RNIOPYRNQAFDBS-AEFFLSMTSA-N 2 0 333.520 3.352 20 0 EGADRP Cc1cccc(-c2noc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000567456310 459109279 /nfs/dbraw/zinc/10/92/79/459109279.db2.gz HZQLJXLITKWSQL-SJORKVTESA-N 2 0 326.444 3.009 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1NC(C)=O ZINC000577946781 459120692 /nfs/dbraw/zinc/12/06/92/459120692.db2.gz OQJPMNXUVOUFHE-FGTMMUONSA-N 2 0 345.487 3.054 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000558080904 459130287 /nfs/dbraw/zinc/13/02/87/459130287.db2.gz DGUZEPIQIZDSBP-QGZVFWFLSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558619485 459181546 /nfs/dbraw/zinc/18/15/46/459181546.db2.gz UEDHGZYBGDTDQV-YSIASYRMSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000480142209 459184102 /nfs/dbraw/zinc/18/41/02/459184102.db2.gz AUHNZYRWSNLTTB-BMFZPTHFSA-N 2 0 336.442 3.465 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000480196809 459188431 /nfs/dbraw/zinc/18/84/31/459188431.db2.gz MHNCNSJXNCNDPV-ICSRJNTNSA-N 2 0 330.516 3.445 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000590787118 459218543 /nfs/dbraw/zinc/21/85/43/459218543.db2.gz SEZUPMAQAMFZOR-OAHLLOKOSA-N 2 0 335.467 3.205 20 0 EGADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537079 459232222 /nfs/dbraw/zinc/23/22/22/459232222.db2.gz CNTUCDVRRMUPCK-IAGOWNOFSA-N 2 0 341.540 3.057 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496568362 459242854 /nfs/dbraw/zinc/24/28/54/459242854.db2.gz GVEUGIUMYPJJNJ-QBPKDAKJSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000568499307 459297828 /nfs/dbraw/zinc/29/78/28/459297828.db2.gz GDRIWRKOUAABRW-OAHLLOKOSA-N 2 0 339.911 3.055 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591101924 459315218 /nfs/dbraw/zinc/31/52/18/459315218.db2.gz QMEIKGZRVKIEEE-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC[C@H](C[NH3+])C1 ZINC000582181810 459321863 /nfs/dbraw/zinc/32/18/63/459321863.db2.gz SIFXZAIOKXBMLW-GXTWGEPZSA-N 2 0 334.851 3.046 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]CCC[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000496827216 459338272 /nfs/dbraw/zinc/33/82/72/459338272.db2.gz JBBZZXMRWOYMMG-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CCC(CC)[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)C1CC1 ZINC000568790683 459346880 /nfs/dbraw/zinc/34/68/80/459346880.db2.gz LBJKAHCELOYUCA-UHFFFAOYSA-N 2 0 349.544 3.045 20 0 EGADRP OCCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000560538684 459369860 /nfs/dbraw/zinc/36/98/60/459369860.db2.gz YVOKLXJAYDXINV-QHAWAJNXSA-N 2 0 330.516 3.429 20 0 EGADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000569002652 459380625 /nfs/dbraw/zinc/38/06/25/459380625.db2.gz BZWTWLIPSSCJNS-RTWAWAEBSA-N 3 0 329.532 3.048 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000569090925 459393474 /nfs/dbraw/zinc/39/34/74/459393474.db2.gz UGHHWZYBESVRFI-AZUAARDMSA-N 2 0 343.446 3.092 20 0 EGADRP CCOc1ccccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569384304 459443105 /nfs/dbraw/zinc/44/31/05/459443105.db2.gz BPKGMAQQQUUXGD-HDICACEKSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509116 /nfs/dbraw/zinc/50/91/16/459509116.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 2 0 341.543 3.219 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000569803321 459512454 /nfs/dbraw/zinc/51/24/54/459512454.db2.gz NCYBWFCWNQBQIG-PMACEKPBSA-N 2 0 348.531 3.287 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)c2ccccc2)CC1 ZINC000569866939 459521707 /nfs/dbraw/zinc/52/17/07/459521707.db2.gz DKSAGEJOFTVRAI-JOCHJYFZSA-N 2 0 348.494 3.246 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000542504302 459563555 /nfs/dbraw/zinc/56/35/55/459563555.db2.gz JSAFYODOBQETSI-SJORKVTESA-N 2 0 345.531 3.495 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000526986404 459571911 /nfs/dbraw/zinc/57/19/11/459571911.db2.gz FKRFRCUQHZGBMW-LJQANCHMSA-N 2 0 346.421 3.481 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000583929796 459621236 /nfs/dbraw/zinc/62/12/36/459621236.db2.gz DDIAKRCNQMHNKO-VQTJNVASSA-N 2 0 348.531 3.001 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000527521989 459654354 /nfs/dbraw/zinc/65/43/54/459654354.db2.gz SXMCZBPOUJMDDW-WMZOPIPTSA-N 2 0 332.488 3.076 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000573435296 459675879 /nfs/dbraw/zinc/67/58/79/459675879.db2.gz LVJMAKNFEIFFFL-NRFANRHFSA-N 2 0 327.516 3.164 20 0 EGADRP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000584239740 459689125 /nfs/dbraw/zinc/68/91/25/459689125.db2.gz KSTWHRJOWMNICK-DLBZAZTESA-N 2 0 328.500 3.421 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527674933 459694924 /nfs/dbraw/zinc/69/49/24/459694924.db2.gz MWTBOBHLOOQAOJ-PMACEKPBSA-N 2 0 327.472 3.025 20 0 EGADRP C[C@@H]1C[N@H+](CCCNCc2ccsc2C(F)(F)F)CCCO1 ZINC000527702634 459706937 /nfs/dbraw/zinc/70/69/37/459706937.db2.gz ZKKOWXYWBQXKLC-GFCCVEGCSA-N 2 0 336.423 3.357 20 0 EGADRP Cc1ncccc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000527794364 459738386 /nfs/dbraw/zinc/73/83/86/459738386.db2.gz ZSQASZBRDVPJRX-UHFFFAOYSA-N 2 0 338.499 3.210 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000573831215 459742563 /nfs/dbraw/zinc/74/25/63/459742563.db2.gz YBCTXSBKYQUCRW-XUWVNRHRSA-N 2 0 349.906 3.343 20 0 EGADRP CC(C)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000584463855 459745482 /nfs/dbraw/zinc/74/54/82/459745482.db2.gz KRVSYQMNFYEORY-QFUCXCTJSA-N 2 0 329.532 3.047 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527845105 459757293 /nfs/dbraw/zinc/75/72/93/459757293.db2.gz CCEIWKSQRZDINX-YLJYHZDGSA-N 2 0 327.516 3.102 20 0 EGADRP CC[C@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[NH+](CC)CC ZINC000545188379 459807235 /nfs/dbraw/zinc/80/72/35/459807235.db2.gz DLAWHFMUDGCYJF-LJQANCHMSA-N 2 0 331.504 3.236 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)c1 ZINC000597055414 459826564 /nfs/dbraw/zinc/82/65/64/459826564.db2.gz LDLLNERGHSZVDR-UHFFFAOYSA-N 2 0 344.430 3.354 20 0 EGADRP FC(F)(F)COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000574518455 459828780 /nfs/dbraw/zinc/82/87/80/459828780.db2.gz ITYHXLAXRKPNCX-MRXNPFEDSA-N 2 0 342.405 3.449 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000566257683 459830846 /nfs/dbraw/zinc/83/08/46/459830846.db2.gz LJPDEKZHNFAKLE-CABCVRRESA-N 2 0 342.487 3.326 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000593323622 459842069 /nfs/dbraw/zinc/84/20/69/459842069.db2.gz RIIWKLMYNKMFHL-HNNXBMFYSA-N 2 0 334.460 3.121 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)C1 ZINC000574972848 459902239 /nfs/dbraw/zinc/90/22/39/459902239.db2.gz OUAVCWLWSICNDQ-GOEBONIOSA-N 2 0 349.475 3.154 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000574993547 459906061 /nfs/dbraw/zinc/90/60/61/459906061.db2.gz XXNJWHOBTUAINA-UHFFFAOYSA-N 2 0 332.879 3.395 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000593729019 459965940 /nfs/dbraw/zinc/96/59/40/459965940.db2.gz CRNCFTRTJSNPII-BBRMVZONSA-N 2 0 344.377 3.025 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC000618424468 460008025 /nfs/dbraw/zinc/00/80/25/460008025.db2.gz IXDHULDBTLVOTF-JXFKEZNVSA-N 2 0 349.519 3.362 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000621718738 460024987 /nfs/dbraw/zinc/02/49/87/460024987.db2.gz RMFIAYVKTDQBJA-LPHOPBHVSA-N 2 0 335.561 3.158 20 0 EGADRP C[C@H](C[S@](C)=O)[N@H+](C)[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602616591 460024989 /nfs/dbraw/zinc/02/49/89/460024989.db2.gz WDFPFEFIJOBBTK-YBBCZWHLSA-N 2 0 334.529 3.053 20 0 EGADRP CCOC(=O)C(CC)(CC)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000602736495 460097971 /nfs/dbraw/zinc/09/79/71/460097971.db2.gz YGHCCUOSJVJCDY-UHFFFAOYSA-N 2 0 333.476 3.010 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000576254716 460102699 /nfs/dbraw/zinc/10/26/99/460102699.db2.gz VLOKDCPBYPMRRJ-RXVVDRJESA-N 3 0 329.532 3.361 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(CNC2CC[NH+](C3CCCC3)CC2)c1C ZINC000598963768 460105036 /nfs/dbraw/zinc/10/50/36/460105036.db2.gz CSUJFKAKROCFDN-UHFFFAOYSA-N 2 0 347.503 3.305 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000618665362 460118422 /nfs/dbraw/zinc/11/84/22/460118422.db2.gz ZVRIWWSEBWKPLB-ZWKOTPCHSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)(C)[C@@H]1C[NH+](CCCC[N@@H+]2CCO[C@H](C(C)(C)C)C2)CCO1 ZINC000576504465 460155644 /nfs/dbraw/zinc/15/56/44/460155644.db2.gz HCHACSPHGPKDQT-ROUUACIJSA-N 2 0 340.552 3.260 20 0 EGADRP CC1(C)CCC[N@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000622558871 460276769 /nfs/dbraw/zinc/27/67/69/460276769.db2.gz ADPPPRPTTROTGR-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCCn1c(C)nnc1CN(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063333 460359475 /nfs/dbraw/zinc/35/94/75/460359475.db2.gz ZRJXFQJEZYABLI-UHFFFAOYSA-N 2 0 329.492 3.080 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000611497831 460377965 /nfs/dbraw/zinc/37/79/65/460377965.db2.gz ZXACMOUIYOKMFQ-UHFFFAOYSA-N 2 0 332.488 3.463 20 0 EGADRP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000600120179 460391596 /nfs/dbraw/zinc/39/15/96/460391596.db2.gz JBTIYYWSLFDUPG-TZIWHRDSSA-N 2 0 329.532 3.199 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000623068126 460402342 /nfs/dbraw/zinc/40/23/42/460402342.db2.gz UKLZLALWNGDDFG-LJQANCHMSA-N 2 0 340.471 3.350 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732599 460497615 /nfs/dbraw/zinc/49/76/15/460497615.db2.gz KDUUVRZZXHCGSL-IBGZPJMESA-N 2 0 340.515 3.416 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623889522 460763651 /nfs/dbraw/zinc/76/36/51/460763651.db2.gz PAGPDQVYOSFHMO-OLZOCXBDSA-N 2 0 347.400 3.131 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nccc3ccccc32)C[C@@H](C)O1 ZINC000607167378 460804399 /nfs/dbraw/zinc/80/43/99/460804399.db2.gz MCGIEXURUKMVSG-IAGOWNOFSA-N 2 0 327.472 3.214 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561981 460809486 /nfs/dbraw/zinc/80/94/86/460809486.db2.gz MBWSYYGJJBCLRQ-IAGOWNOFSA-N 2 0 344.421 3.095 20 0 EGADRP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000607358149 460829255 /nfs/dbraw/zinc/82/92/55/460829255.db2.gz GNOPMOFBKAAZQW-AWEZNQCLSA-N 2 0 330.394 3.358 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629655887 460851088 /nfs/dbraw/zinc/85/10/88/460851088.db2.gz LPQIWJDSARCFDM-IVMMDQJWSA-N 2 0 330.394 3.258 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120850 460869694 /nfs/dbraw/zinc/86/96/94/460869694.db2.gz IJPVOYWXEMRMOP-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000624579319 461058566 /nfs/dbraw/zinc/05/85/66/461058566.db2.gz DXNAYTMYAINURA-GUDVDZBRSA-N 2 0 349.563 3.362 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000652349168 461142034 /nfs/dbraw/zinc/14/20/34/461142034.db2.gz DAKAITUSFFSBJT-ZHALLVOQSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652346889 461142676 /nfs/dbraw/zinc/14/26/76/461142676.db2.gz LAVSAXHOOQDVSD-IRFCIJBXSA-N 2 0 346.515 3.291 20 0 EGADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349199 461143249 /nfs/dbraw/zinc/14/32/49/461143249.db2.gz FJXFCGQNJPOXMO-QKPAOTATSA-N 2 0 335.492 3.251 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000652351959 461148149 /nfs/dbraw/zinc/14/81/49/461148149.db2.gz NNQXTOSDVPAZQA-HOCLYGCPSA-N 2 0 328.378 3.145 20 0 EGADRP COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363464 461156778 /nfs/dbraw/zinc/15/67/78/461156778.db2.gz FMCRCAZMRHPOEI-LZLYRXPVSA-N 2 0 338.879 3.209 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCc3nsc4ccccc43)CC2)C1 ZINC000662281545 461163372 /nfs/dbraw/zinc/16/33/72/461163372.db2.gz NQBMNPLBIQZIEP-YJBOKZPZSA-N 2 0 345.512 3.057 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)on2)cc1 ZINC000662284871 461166050 /nfs/dbraw/zinc/16/60/50/461166050.db2.gz ZTSKUMLVPCCWOB-FMKPAKJESA-N 2 0 329.444 3.155 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000662290238 461167328 /nfs/dbraw/zinc/16/73/28/461167328.db2.gz BLJMXJUTCGOSNR-WBVHZDCISA-N 2 0 347.478 3.173 20 0 EGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000662291340 461168255 /nfs/dbraw/zinc/16/82/55/461168255.db2.gz FAQYYIGITDXNMG-MRXNPFEDSA-N 2 0 349.906 3.380 20 0 EGADRP COc1ccc(OCCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290490 461168539 /nfs/dbraw/zinc/16/85/39/461168539.db2.gz DPOBOUCOTKUXNW-GOSISDBHSA-N 2 0 332.488 3.176 20 0 EGADRP Cc1cncc(CC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000649552036 461171265 /nfs/dbraw/zinc/17/12/65/461171265.db2.gz UXIMMDZSISIIDQ-SFHVURJKSA-N 2 0 330.520 3.304 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)CC1CCCCC1 ZINC000646377479 461220318 /nfs/dbraw/zinc/22/03/18/461220318.db2.gz CLDPPCCCXZQNOA-VAMGGRTRSA-N 2 0 349.563 3.303 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444381 461254470 /nfs/dbraw/zinc/25/44/70/461254470.db2.gz DVMDVHDVYYUDIU-AZUAARDMSA-N 2 0 327.472 3.001 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000662525451 461282031 /nfs/dbraw/zinc/28/20/31/461282031.db2.gz UYAGLHDILBHBLW-NRFANRHFSA-N 2 0 349.478 3.133 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638178102 461291112 /nfs/dbraw/zinc/29/11/12/461291112.db2.gz FMOLIXQZIMUFGN-SSSFQFABSA-N 2 0 328.500 3.364 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)c2cccs2)CC1 ZINC000662664007 461339548 /nfs/dbraw/zinc/33/95/48/461339548.db2.gz SAZBSHYRAXXJQP-WBVHZDCISA-N 2 0 349.544 3.025 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000662669470 461341978 /nfs/dbraw/zinc/34/19/78/461341978.db2.gz ZQABAGLUXHOUDM-IEBWSBKVSA-N 2 0 343.515 3.236 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc2c1CC[NH2+]C2 ZINC000662693854 461349851 /nfs/dbraw/zinc/34/98/51/461349851.db2.gz MIUZAUBWVOEKRN-UHFFFAOYSA-N 2 0 349.478 3.223 20 0 EGADRP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000655712253 461382398 /nfs/dbraw/zinc/38/23/98/461382398.db2.gz PIKDLGXVJIKBRT-UYAOXDASSA-N 2 0 327.516 3.049 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc(F)c2N)cc1 ZINC000638373667 461394724 /nfs/dbraw/zinc/39/47/24/461394724.db2.gz HNTSAZMWRXHWGF-UHFFFAOYSA-N 2 0 345.462 3.418 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000668717324 461396491 /nfs/dbraw/zinc/39/64/91/461396491.db2.gz UTAKTJKYKAILPB-OAQYLSRUSA-N 2 0 340.467 3.280 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638381024 461397317 /nfs/dbraw/zinc/39/73/17/461397317.db2.gz HRGJJZISEGGIOE-LPHOPBHVSA-N 2 0 331.504 3.065 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CC2 ZINC000655733918 461401260 /nfs/dbraw/zinc/40/12/60/461401260.db2.gz VCBLZUVQUVUVHS-ZCNNSNEGSA-N 2 0 328.500 3.258 20 0 EGADRP CCO[C@@H]1CCC[NH+](CC[C@@H](C)CC[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000662943468 461415167 /nfs/dbraw/zinc/41/51/67/461415167.db2.gz OTOPJSSIQQJNMH-OWZKRDHZSA-N 2 0 340.552 3.405 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(C(F)F)cc3)c2)CC1 ZINC000630961343 461442261 /nfs/dbraw/zinc/44/22/61/461442261.db2.gz OQBRZACNWBIRKE-UHFFFAOYSA-N 2 0 332.398 3.383 20 0 EGADRP CC[N@H+](CCN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638479452 461447373 /nfs/dbraw/zinc/44/73/73/461447373.db2.gz MYWWEFKMCCMYJZ-NQIIRXRSSA-N 2 0 327.516 3.428 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccn(C)n1 ZINC000666127161 461462778 /nfs/dbraw/zinc/46/27/78/461462778.db2.gz HWEKWMCTCRIQLD-HKJQZYRSSA-N 2 0 338.499 3.371 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)CC1 ZINC000637288395 461465619 /nfs/dbraw/zinc/46/56/19/461465619.db2.gz FSNNHYDTBFLNBH-IBGZPJMESA-N 2 0 343.515 3.016 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638564635 461487740 /nfs/dbraw/zinc/48/77/40/461487740.db2.gz LXUKHSVBVPGUMI-NHCUHLMSSA-N 2 0 329.532 3.043 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]CCCc3cnn(C)c3)c2)CC1 ZINC000638566831 461489862 /nfs/dbraw/zinc/48/98/62/461489862.db2.gz DUHIIQLSQOLMRJ-UHFFFAOYSA-N 2 0 340.515 3.374 20 0 EGADRP COCCc1ncc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000631042628 461495509 /nfs/dbraw/zinc/49/55/09/461495509.db2.gz KHDKKJCUOXDLPV-IYBDPMFKSA-N 2 0 339.549 3.180 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653113633 461506266 /nfs/dbraw/zinc/50/62/66/461506266.db2.gz JMDRHQWDLQKONO-SFHVURJKSA-N 2 0 329.488 3.391 20 0 EGADRP COc1cc(C[NH2+]CCCC[NH+](C)C)c(F)cc1Br ZINC000631054912 461506648 /nfs/dbraw/zinc/50/66/48/461506648.db2.gz AMCFYTFHCMHFPV-UHFFFAOYSA-N 2 0 333.245 3.028 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957846 461515241 /nfs/dbraw/zinc/51/52/41/461515241.db2.gz YIYOYQBEUAOMRJ-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)c2ccccc12 ZINC000631067995 461519120 /nfs/dbraw/zinc/51/91/20/461519120.db2.gz JKDWSCFOYGTGMC-KRWDZBQOSA-N 2 0 330.447 3.305 20 0 EGADRP Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)c1 ZINC000647151796 461527096 /nfs/dbraw/zinc/52/70/96/461527096.db2.gz PLICPGSXWPLXSS-GDBMZVCRSA-N 2 0 330.407 3.013 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CO1 ZINC000647181882 461550644 /nfs/dbraw/zinc/55/06/44/461550644.db2.gz WYFDNQJLNAOMRP-WIYYLYMNSA-N 2 0 330.516 3.488 20 0 EGADRP CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000647243090 461583932 /nfs/dbraw/zinc/58/39/32/461583932.db2.gz DAUJPJHKACUBTN-PKOBYXMFSA-N 2 0 347.547 3.104 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C)C1CCOCC1 ZINC000638853518 461618178 /nfs/dbraw/zinc/61/81/78/461618178.db2.gz ICTDMXCCUCFVJG-HXUWFJFHSA-N 2 0 334.504 3.058 20 0 EGADRP Cc1cnc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000656200129 461643506 /nfs/dbraw/zinc/64/35/06/461643506.db2.gz JZOWMWKDRVQCTR-CTNGQTDRSA-N 2 0 337.467 3.086 20 0 EGADRP CCC1([NH+](C)C)CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000638979609 461666536 /nfs/dbraw/zinc/66/65/36/461666536.db2.gz GMWZJZYEALDKEW-SFHVURJKSA-N 2 0 343.515 3.012 20 0 EGADRP CO[C@@](C)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000643338985 461693606 /nfs/dbraw/zinc/69/36/06/461693606.db2.gz YDIOUYZNVAEEDK-FQEVSTJZSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c2ccccc12 ZINC000639057690 461697754 /nfs/dbraw/zinc/69/77/54/461697754.db2.gz UQWTYMHTWGNNFY-INIZCTEOSA-N 2 0 329.463 3.095 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1F ZINC000643536350 461756398 /nfs/dbraw/zinc/75/63/98/461756398.db2.gz TUUNAYZLZBTXPH-QMTHXVAHSA-N 2 0 327.241 3.381 20 0 EGADRP c1cc(COc2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2)ccn1 ZINC000647483062 461730815 /nfs/dbraw/zinc/73/08/15/461730815.db2.gz WDTOLSHMRZTSSE-UHFFFAOYSA-N 2 0 337.467 3.377 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455522 461731857 /nfs/dbraw/zinc/73/18/57/461731857.db2.gz OQHZKJAATXIZPI-BJJXKVORSA-N 2 0 327.394 3.001 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522326 461751813 /nfs/dbraw/zinc/75/18/13/461751813.db2.gz LRFSCKUVFLCULY-IAQYHMDHSA-N 2 0 327.241 3.307 20 0 EGADRP c1cc(CCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647542741 461754724 /nfs/dbraw/zinc/75/47/24/461754724.db2.gz BHUBUWZHXWDSFW-PMACEKPBSA-N 2 0 328.500 3.266 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(Br)c1 ZINC000643534383 461754930 /nfs/dbraw/zinc/75/49/30/461754930.db2.gz SSXMLWYWRWIBTD-YGRLFVJLSA-N 2 0 327.241 3.381 20 0 EGADRP C[NH+](C)Cc1cc(NC2CC[NH+](CC(C)(C)O)CC2)ccc1Cl ZINC000639135856 461754975 /nfs/dbraw/zinc/75/49/75/461754975.db2.gz XSMBONQOOYWECU-UHFFFAOYSA-N 2 0 339.911 3.049 20 0 EGADRP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535037 461755154 /nfs/dbraw/zinc/75/51/54/461755154.db2.gz HXCZJNGPZJGQES-HUUCEWRRSA-N 2 0 325.378 3.210 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000639140432 461756377 /nfs/dbraw/zinc/75/63/77/461756377.db2.gz XNIMISHIYRJKQP-ISTVAULSSA-N 2 0 343.240 3.094 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000643537136 461756426 /nfs/dbraw/zinc/75/64/26/461756426.db2.gz ZYKQZMICEZCTKH-IAQYHMDHSA-N 2 0 339.277 3.250 20 0 EGADRP Brc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543041 461757137 /nfs/dbraw/zinc/75/71/37/461757137.db2.gz GXDFBRALKSRJME-KBPBESRZSA-N 2 0 338.293 3.056 20 0 EGADRP Cc1cc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2cccnc2)ccc1F ZINC000643536481 461757221 /nfs/dbraw/zinc/75/72/21/461757221.db2.gz UBHWCNBXKDHCJU-OALUTQOASA-N 2 0 325.431 3.350 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)O[C@@H](C)C2 ZINC000647543677 461759641 /nfs/dbraw/zinc/75/96/41/461759641.db2.gz RBFBKBCUGMWSQA-BBWFWOEESA-N 2 0 344.499 3.230 20 0 EGADRP COc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCCC2)c1 ZINC000647548591 461760947 /nfs/dbraw/zinc/76/09/47/461760947.db2.gz JVYMOXYCCRYUGF-YQVWRLOYSA-N 2 0 328.500 3.485 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1cccnc1 ZINC000647550993 461762733 /nfs/dbraw/zinc/76/27/33/461762733.db2.gz SBGARVFUFBHEBP-GVDBMIGSSA-N 2 0 341.430 3.491 20 0 EGADRP CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)OC ZINC000639146334 461762855 /nfs/dbraw/zinc/76/28/55/461762855.db2.gz HRECBYPXWPVTTJ-UZLBHIALSA-N 2 0 334.504 3.310 20 0 EGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(OC)cc1 ZINC000669688872 461766786 /nfs/dbraw/zinc/76/67/86/461766786.db2.gz SVYPGVQYNXOFJM-UHFFFAOYSA-N 2 0 347.547 3.323 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000639220943 461810897 /nfs/dbraw/zinc/81/08/97/461810897.db2.gz ZOFLIUOPYAKKOL-AZUAARDMSA-N 2 0 330.516 3.395 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)C1 ZINC000647788981 461835521 /nfs/dbraw/zinc/83/55/21/461835521.db2.gz WIAGPFYFIIKBSB-XYEHWOGUSA-N 3 0 341.543 3.396 20 0 EGADRP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789565 461835629 /nfs/dbraw/zinc/83/56/29/461835629.db2.gz HENVZHOUVLXPPL-SOUVJXGZSA-N 2 0 328.378 3.105 20 0 EGADRP Clc1cccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N2CCCC2)c1 ZINC000647788988 461835684 /nfs/dbraw/zinc/83/56/84/461835684.db2.gz WKUXINRPUVLIEY-LFGUQSLTSA-N 2 0 347.934 3.455 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000647789780 461836016 /nfs/dbraw/zinc/83/60/16/461836016.db2.gz LHLZLRWJRSDNKX-IPMKNSEASA-N 2 0 328.500 3.021 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000647794271 461838316 /nfs/dbraw/zinc/83/83/16/461838316.db2.gz WUEQKGXTRJOQLD-LIEJCIORSA-N 2 0 333.907 3.063 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000647792908 461838327 /nfs/dbraw/zinc/83/83/27/461838327.db2.gz DUMCAQLDXQYRLS-ASKKUZCQSA-N 2 0 326.440 3.355 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1Cl ZINC000647794107 461838705 /nfs/dbraw/zinc/83/87/05/461838705.db2.gz RHAZDSLNLJSMMN-TUVASFSCSA-N 2 0 337.870 3.036 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858110 461839182 /nfs/dbraw/zinc/83/91/82/461839182.db2.gz XRSOBDPFLXVBDG-STQMWFEESA-N 2 0 343.393 3.154 20 0 EGADRP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796931 461840421 /nfs/dbraw/zinc/84/04/21/461840421.db2.gz RIGDBOJKLHGNEC-HOSYDEDBSA-N 2 0 334.332 3.461 20 0 EGADRP CCn1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2ccccc21 ZINC000656782777 461892754 /nfs/dbraw/zinc/89/27/54/461892754.db2.gz JQGRFWQKJYHAMR-KRWDZBQOSA-N 2 0 326.488 3.268 20 0 EGADRP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784380 461893782 /nfs/dbraw/zinc/89/37/82/461893782.db2.gz CVPZAUSUIRCPGO-MRXNPFEDSA-N 2 0 342.512 3.417 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000656784324 461893866 /nfs/dbraw/zinc/89/38/66/461893866.db2.gz ALRFELLGUGJPFV-IBGZPJMESA-N 2 0 338.499 3.299 20 0 EGADRP COc1cc2c(cc1C[NH+]1CCC([C@@H]3CCC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000656785971 461896237 /nfs/dbraw/zinc/89/62/37/461896237.db2.gz OPWLQJDHOIEVMS-NVXWUHKLSA-N 2 0 344.499 3.230 20 0 EGADRP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708191 461902194 /nfs/dbraw/zinc/90/21/94/461902194.db2.gz VBBHOGWDDTWZGT-SOUVJXGZSA-N 2 0 337.533 3.159 20 0 EGADRP CCCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650718852 461911012 /nfs/dbraw/zinc/91/10/12/461911012.db2.gz YBIHLAKTUVCQPP-UHFFFAOYSA-N 2 0 332.419 3.372 20 0 EGADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000650718679 461911325 /nfs/dbraw/zinc/91/13/25/461911325.db2.gz SQBPZBOZNUAWEP-CQSZACIVSA-N 2 0 326.440 3.028 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000650721865 461913188 /nfs/dbraw/zinc/91/31/88/461913188.db2.gz DLWAXDSPOALXDJ-PVAVHDDUSA-N 2 0 340.414 3.149 20 0 EGADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000647972032 461914945 /nfs/dbraw/zinc/91/49/45/461914945.db2.gz GWOWTKTZVZDOSQ-INIZCTEOSA-N 2 0 346.437 3.317 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000650724111 461915912 /nfs/dbraw/zinc/91/59/12/461915912.db2.gz YIXCEFZZZHAOFK-KBRIMQKVSA-N 2 0 326.843 3.340 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000650724113 461916579 /nfs/dbraw/zinc/91/65/79/461916579.db2.gz YIXCEFZZZHAOFK-XYPHTWIQSA-N 2 0 326.843 3.340 20 0 EGADRP COc1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cc2c1 ZINC000650723879 461916727 /nfs/dbraw/zinc/91/67/27/461916727.db2.gz VHYQIZIWZCWITN-XFQXTVEOSA-N 2 0 344.455 3.302 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000650723854 461916741 /nfs/dbraw/zinc/91/67/41/461916741.db2.gz VAYBZSGZAVZMEW-HYVNUMGLSA-N 2 0 340.414 3.149 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647978895 461920489 /nfs/dbraw/zinc/92/04/89/461920489.db2.gz ZXQYTKKWVCQMKC-OTWHNJEPSA-N 2 0 343.515 3.342 20 0 EGADRP O=C(Nc1cccc(Oc2ccncc2)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667099563 461949565 /nfs/dbraw/zinc/94/95/65/461949565.db2.gz BDSAUWBQYNGQOE-KBXCAEBGSA-N 2 0 338.411 3.090 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1)CC(C)C ZINC000648035796 461952596 /nfs/dbraw/zinc/95/25/96/461952596.db2.gz PPALBYNQRZZNEA-LJQANCHMSA-N 2 0 347.551 3.005 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000644513469 461965399 /nfs/dbraw/zinc/96/53/99/461965399.db2.gz LKTQPFRNOKCWRQ-HXUWFJFHSA-N 2 0 342.483 3.042 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CC[C@@](C)(c3ccccc3)C1)CCO2 ZINC000648072089 461970069 /nfs/dbraw/zinc/97/00/69/461970069.db2.gz KWGRMEUBERXBMV-VQTJNVASSA-N 2 0 328.500 3.293 20 0 EGADRP CC(C)O[C@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000644667802 462030128 /nfs/dbraw/zinc/03/01/28/462030128.db2.gz UNEDBMIXNUNNFT-HXUWFJFHSA-N 2 0 334.504 3.195 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657310350 462034506 /nfs/dbraw/zinc/03/45/06/462034506.db2.gz CCJFZPBFOYJOOL-RXVVDRJESA-N 2 0 346.515 3.456 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)cc21 ZINC000657338302 462056310 /nfs/dbraw/zinc/05/63/10/462056310.db2.gz UUGDDLXXRJIVER-UHFFFAOYSA-N 2 0 340.515 3.125 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)CN1CC[NH+](C)CC1 ZINC000657347352 462063175 /nfs/dbraw/zinc/06/31/75/462063175.db2.gz XSDLSMBFMVKRNT-QGZVFWFLSA-N 2 0 343.540 3.388 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C(C)(C)C ZINC000657363848 462073451 /nfs/dbraw/zinc/07/34/51/462073451.db2.gz PZAZWALXSGMZPS-OALUTQOASA-N 2 0 334.504 3.310 20 0 EGADRP c1cn(CC[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000639724326 462077122 /nfs/dbraw/zinc/07/71/22/462077122.db2.gz ACPRMLQPKDBETP-UHFFFAOYSA-N 2 0 338.499 3.261 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657376636 462080681 /nfs/dbraw/zinc/08/06/81/462080681.db2.gz NYXHSKNFWAUPDB-FQEVSTJZSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc3n2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414570 462107733 /nfs/dbraw/zinc/10/77/33/462107733.db2.gz BSUWQIZXWVSUQN-PKOBYXMFSA-N 2 0 338.499 3.220 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)CCO1 ZINC000648425876 462115104 /nfs/dbraw/zinc/11/51/04/462115104.db2.gz URHKEBLXFVATAX-OALUTQOASA-N 2 0 334.504 3.454 20 0 EGADRP C[C@@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000651406818 462215665 /nfs/dbraw/zinc/21/56/65/462215665.db2.gz PYYNVAMMMFCOMJ-CXAGYDPISA-N 2 0 344.421 3.449 20 0 EGADRP Clc1cc2c(c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c1)OCC2 ZINC000657813450 462280038 /nfs/dbraw/zinc/28/00/38/462280038.db2.gz ORQHIGVMLTYVNC-UHFFFAOYSA-N 2 0 334.891 3.487 20 0 EGADRP CN1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385449 462308692 /nfs/dbraw/zinc/30/86/92/462308692.db2.gz KLBXIWHYLRUYFS-XZOQPEGZSA-N 2 0 349.522 3.470 20 0 EGADRP COc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(Cl)c1OC ZINC000645480968 462342429 /nfs/dbraw/zinc/34/24/29/462342429.db2.gz RDNLBEWXCRAIPB-ZDUSSCGKSA-N 2 0 340.895 3.220 20 0 EGADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068298 462365997 /nfs/dbraw/zinc/36/59/97/462365997.db2.gz VXOMTESZHAWZLA-FQEVSTJZSA-N 2 0 344.499 3.381 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@@H](C)C1 ZINC000658106692 462388022 /nfs/dbraw/zinc/38/80/22/462388022.db2.gz AUEVSLRDAJZNHD-ROUUACIJSA-N 2 0 342.568 3.290 20 0 EGADRP COc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000665294542 462388875 /nfs/dbraw/zinc/38/88/75/462388875.db2.gz QQEDAADQOJUEHL-RXVVDRJESA-N 2 0 338.451 3.349 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCc3c4ccccc4sc32)n1 ZINC000665291876 462388901 /nfs/dbraw/zinc/38/89/01/462388901.db2.gz NGFFEKSUGNVJGH-AWEZNQCLSA-N 2 0 340.452 3.023 20 0 EGADRP CCCc1ccc([C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C(C)C)cc1 ZINC000665291665 462389094 /nfs/dbraw/zinc/38/90/94/462389094.db2.gz HMNSAQTYOQWACY-IBGZPJMESA-N 2 0 328.460 3.080 20 0 EGADRP CCCc1ccc([C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C(C)C)cc1 ZINC000665291666 462389167 /nfs/dbraw/zinc/38/91/67/462389167.db2.gz HMNSAQTYOQWACY-LJQANCHMSA-N 2 0 328.460 3.080 20 0 EGADRP C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532032 462430529 /nfs/dbraw/zinc/43/05/29/462430529.db2.gz TWGPQEAHHQIRTQ-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652138527 462446369 /nfs/dbraw/zinc/44/63/69/462446369.db2.gz HNYYMHDABGFJAG-YOEHRIQHSA-N 2 0 348.487 3.237 20 0 EGADRP CC(C)([NH3+])CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000649279527 462465895 /nfs/dbraw/zinc/46/58/95/462465895.db2.gz WODNZQCTRPOHEP-INIZCTEOSA-N 2 0 337.895 3.111 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000649302996 462473447 /nfs/dbraw/zinc/47/34/47/462473447.db2.gz NCGBEQLZTPRHRI-QZTJIDSGSA-N 2 0 345.874 3.067 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354422 462486823 /nfs/dbraw/zinc/48/68/23/462486823.db2.gz CRWAHNSIRVVUPZ-HNNXBMFYSA-N 2 0 347.478 3.254 20 0 EGADRP COc1cccc([C@H](C)N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649412516 462503557 /nfs/dbraw/zinc/50/35/57/462503557.db2.gz QDEKLPNGBFWJSI-SFHVURJKSA-N 2 0 345.531 3.154 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCCc2ccccc2)CC1 ZINC000186902262 533740352 /nfs/dbraw/zinc/74/03/52/533740352.db2.gz RORVGLYDVSOVAW-SFTDATJTSA-N 2 0 343.559 3.500 20 0 EGADRP COc1cccc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000191380901 533789230 /nfs/dbraw/zinc/78/92/30/533789230.db2.gz KOIQZKMCORRVMS-OAQYLSRUSA-N 2 0 345.531 3.248 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000153703492 527880897 /nfs/dbraw/zinc/88/08/97/527880897.db2.gz IHHZIVGMRXUTIC-HIFRSBDPSA-N 2 0 342.430 3.159 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635655 528034904 /nfs/dbraw/zinc/03/49/04/528034904.db2.gz BMYVVBIYCHNOJP-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP CCCc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000187357318 528635426 /nfs/dbraw/zinc/63/54/26/528635426.db2.gz RKJRNPICNUGDOT-QFIPXVFZSA-N 2 0 338.495 3.496 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181944631 529143519 /nfs/dbraw/zinc/14/35/19/529143519.db2.gz SPEXLHSYMHCGHF-LJQANCHMSA-N 2 0 349.494 3.047 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000158518406 529187388 /nfs/dbraw/zinc/18/73/88/529187388.db2.gz APDGQHFYWCLRAN-LJQANCHMSA-N 2 0 342.462 3.213 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000172768900 535147318 /nfs/dbraw/zinc/14/73/18/535147318.db2.gz UPPNAGIUSJGQCB-KRWDZBQOSA-N 2 0 345.531 3.352 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1 ZINC000266320745 535601129 /nfs/dbraw/zinc/60/11/29/535601129.db2.gz QWEMWXWECZAEPM-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246959838 535768328 /nfs/dbraw/zinc/76/83/28/535768328.db2.gz IOIZYPXEJMNHHY-JXFKEZNVSA-N 2 0 333.495 3.110 20 0 EGADRP CCC(=O)N1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000089135123 546642343 /nfs/dbraw/zinc/64/23/43/546642343.db2.gz XQROXEPTJCMELK-UHFFFAOYSA-N 2 0 335.536 3.166 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)n(-c2ccccc2)n1 ZINC000090602281 546659198 /nfs/dbraw/zinc/65/91/98/546659198.db2.gz OQJSGGSMODRJCQ-FUHWJXTLSA-N 2 0 340.515 3.432 20 0 EGADRP C[N@H+](CCc1nccs1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093844130 546687996 /nfs/dbraw/zinc/68/79/96/546687996.db2.gz AEWPHENPXJBRFJ-UHFFFAOYSA-N 2 0 345.512 3.292 20 0 EGADRP CCOc1cc2c(cc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000161732634 546959518 /nfs/dbraw/zinc/95/95/18/546959518.db2.gz UCASNDNLEZVFOK-GJZGRUSLSA-N 2 0 332.488 3.229 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000166398594 546988340 /nfs/dbraw/zinc/98/83/40/546988340.db2.gz JABLVGHPNQXDAB-NJYVYQBISA-N 2 0 327.516 3.348 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CC2 ZINC000280113146 547370015 /nfs/dbraw/zinc/37/00/15/547370015.db2.gz NSOQJXPXBKTCSI-MAUKXSAKSA-N 2 0 332.488 3.401 20 0 EGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000293194689 547417962 /nfs/dbraw/zinc/41/79/62/547417962.db2.gz IEZCSRUJIPLQCW-RTWAWAEBSA-N 2 0 328.500 3.422 20 0 EGADRP c1csc(C[NH+]2CCC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568835 /nfs/dbraw/zinc/56/88/35/547568835.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 2 0 333.545 3.177 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000339248779 547572770 /nfs/dbraw/zinc/57/27/70/547572770.db2.gz BEDYQIIZZIYDGU-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000671194622 548259118 /nfs/dbraw/zinc/25/91/18/548259118.db2.gz SUYDWQJNSVASIH-YLJYHZDGSA-N 2 0 332.488 3.207 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675741438 548972010 /nfs/dbraw/zinc/97/20/10/548972010.db2.gz FKQIAFCLQKPXAP-INIZCTEOSA-N 2 0 335.561 3.475 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCc3c2cc(F)cc3F)C[C@@H](C)O1 ZINC000677129138 549214699 /nfs/dbraw/zinc/21/46/99/549214699.db2.gz GZLBUEYFACEPOG-LPMFXHHGSA-N 2 0 338.442 3.431 20 0 EGADRP c1ccc([C@H](C[NH+]2CCCCC2)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000677237095 549234620 /nfs/dbraw/zinc/23/46/20/549234620.db2.gz ASBJXIBTUOAEGD-HBMCJLEFSA-N 2 0 327.516 3.430 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000677239947 549235392 /nfs/dbraw/zinc/23/53/92/549235392.db2.gz AKLYJXBQJDUUGH-GBESFXJTSA-N 2 0 331.479 3.319 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000677416067 549265930 /nfs/dbraw/zinc/26/59/30/549265930.db2.gz BTCMNFLGFRJYML-MRXNPFEDSA-N 2 0 335.561 3.475 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679100004 549635313 /nfs/dbraw/zinc/63/53/13/549635313.db2.gz YDDZIPZNQHKCMT-WMZOPIPTSA-N 2 0 333.545 3.438 20 0 EGADRP C[C@@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000680828089 549915220 /nfs/dbraw/zinc/91/52/20/549915220.db2.gz QEACQNAKBLRFMK-KUHUBIRLSA-N 2 0 346.906 3.483 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000681237537 549971583 /nfs/dbraw/zinc/97/15/83/549971583.db2.gz JIKPEWGMAUWNAX-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000681256721 549973895 /nfs/dbraw/zinc/97/38/95/549973895.db2.gz NTYVKFFXIDPVHT-IEBWSBKVSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683110044 550191654 /nfs/dbraw/zinc/19/16/54/550191654.db2.gz XCJBVLPTHFCIQF-KRWDZBQOSA-N 2 0 332.488 3.161 20 0 EGADRP C[C@H]1CSCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683109549 550191950 /nfs/dbraw/zinc/19/19/50/550191950.db2.gz SPTHZEZYPRFAFF-QGZVFWFLSA-N 2 0 334.529 3.346 20 0 EGADRP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000683229449 550206006 /nfs/dbraw/zinc/20/60/06/550206006.db2.gz GCASSKGKKDOZJK-ZLGUVYLKSA-N 2 0 348.506 3.219 20 0 EGADRP CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683722667 550254988 /nfs/dbraw/zinc/25/49/88/550254988.db2.gz SIQGOPNMGCCIER-OAQYLSRUSA-N 2 0 346.515 3.288 20 0 EGADRP C[C@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000685457273 550418761 /nfs/dbraw/zinc/41/87/61/550418761.db2.gz RJIPGDOUGDNDTQ-UZLBHIALSA-N 2 0 333.495 3.030 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2ccccc2F)o1 ZINC000685457001 550419006 /nfs/dbraw/zinc/41/90/06/550419006.db2.gz XCZZBEUSAMOISY-UHFFFAOYSA-N 2 0 333.451 3.011 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000732268767 575250799 /nfs/dbraw/zinc/25/07/99/575250799.db2.gz LVJUYLZUMFAUIY-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000733795974 575396794 /nfs/dbraw/zinc/39/67/94/575396794.db2.gz WLPMAKDIGNVROB-SBHAEUEKSA-N 2 0 330.516 3.481 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000738089743 576286936 /nfs/dbraw/zinc/28/69/36/576286936.db2.gz LNBYKEUHVGZCRQ-UHFFFAOYSA-N 2 0 336.430 3.324 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000305891553 1297064504 /nfs/dbraw/zinc/06/45/04/1297064504.db2.gz WETBBCVYJJOHPW-PVAVHDDUSA-N 2 0 339.524 3.190 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397936575 1297706698 /nfs/dbraw/zinc/70/66/98/1297706698.db2.gz ODUKZAZMOPFJBS-CVEARBPZSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCc2ccccc2Br)CC1 ZINC000877971516 1299674669 /nfs/dbraw/zinc/67/46/69/1299674669.db2.gz ZXQVYXWKSLXVLU-UHFFFAOYSA-N 2 0 325.294 3.265 20 0 EGADRP Cc1cc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000030660921 1291353229 /nfs/dbraw/zinc/35/32/29/1291353229.db2.gz JWLALZVFQUXXQC-UHFFFAOYSA-N 2 0 338.499 3.048 20 0 EGADRP Cc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(C)c1 ZINC000069171484 1292233993 /nfs/dbraw/zinc/23/39/93/1292233993.db2.gz PDKMXLWGJVLJNS-JOCHJYFZSA-N 2 0 337.511 3.382 20 0 EGADRP CCOc1cccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000069711673 1292249700 /nfs/dbraw/zinc/24/97/00/1292249700.db2.gz CMNMUFSNMOSMMU-UHFFFAOYSA-N 2 0 328.456 3.316 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000089553971 1292771965 /nfs/dbraw/zinc/77/19/65/1292771965.db2.gz YZAXJGMAIOIEMG-BLLLJJGKSA-N 2 0 330.394 3.059 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000089553771 1292772351 /nfs/dbraw/zinc/77/23/51/1292772351.db2.gz KUWBPPBHHZTTQM-KCXAZCMYSA-N 2 0 330.394 3.059 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000090079258 1292786511 /nfs/dbraw/zinc/78/65/11/1292786511.db2.gz ICHTXHMDBNJGLK-ABAIWWIYSA-N 2 0 331.287 3.347 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000093067180 1292906200 /nfs/dbraw/zinc/90/62/00/1292906200.db2.gz NVRSTBAWOUFAHN-QGZVFWFLSA-N 2 0 326.488 3.297 20 0 EGADRP [NH3+]Cc1cccc(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000831827539 1292922709 /nfs/dbraw/zinc/92/27/09/1292922709.db2.gz NYWVZQGWHPGHAH-HXUWFJFHSA-N 2 0 337.467 3.102 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834547361 1293115346 /nfs/dbraw/zinc/11/53/46/1293115346.db2.gz AUUXLLZBRPPZLG-OWCLPIDISA-N 2 0 327.513 3.094 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834615626 1293123230 /nfs/dbraw/zinc/12/32/30/1293123230.db2.gz GOZAQRLGPXRZSZ-MWDXBVQZSA-N 2 0 339.524 3.237 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)ccc1OC ZINC000834906649 1293172283 /nfs/dbraw/zinc/17/22/83/1293172283.db2.gz RDAGGOLISUGDER-DNVCBOLYSA-N 2 0 334.504 3.349 20 0 EGADRP COc1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc(OC)c1OC ZINC000116379019 1293204870 /nfs/dbraw/zinc/20/48/70/1293204870.db2.gz VDTWTKMFRXRESO-QGZVFWFLSA-N 2 0 338.492 3.168 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000120730821 1293335076 /nfs/dbraw/zinc/33/50/76/1293335076.db2.gz WJQLUBHKAMPENV-SJLPKXTDSA-N 2 0 334.504 3.345 20 0 EGADRP COc1cc(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000120811324 1293340537 /nfs/dbraw/zinc/34/05/37/1293340537.db2.gz GMHJPWOOGAAUDY-QGZVFWFLSA-N 2 0 334.504 3.470 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123161776 1293435834 /nfs/dbraw/zinc/43/58/34/1293435834.db2.gz LQHPCYNOYNNWAP-HMXCVIKNSA-N 2 0 343.559 3.432 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000130460402 1293657573 /nfs/dbraw/zinc/65/75/73/1293657573.db2.gz ZROHSQFUVVHTCQ-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP Cc1oc2ccccc2c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136235159 1293812555 /nfs/dbraw/zinc/81/25/55/1293812555.db2.gz ZWTDOPMREYANCI-UHFFFAOYSA-N 2 0 339.439 3.366 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000136605459 1293819088 /nfs/dbraw/zinc/81/90/88/1293819088.db2.gz DYEWGBRSWSQOOG-LEWJYISDSA-N 2 0 339.483 3.092 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000150985098 1293901705 /nfs/dbraw/zinc/90/17/05/1293901705.db2.gz YKZQBRGZONPDGM-HNNXBMFYSA-N 2 0 343.309 3.204 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000153315394 1294009273 /nfs/dbraw/zinc/00/92/73/1294009273.db2.gz QTRDZDBQYSDRQN-WIYYLYMNSA-N 2 0 347.547 3.022 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc3cnccn23)CC1 ZINC000156612217 1294151359 /nfs/dbraw/zinc/15/13/59/1294151359.db2.gz VBUWNIBKYPRYRV-UHFFFAOYSA-N 2 0 349.482 3.251 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000160128110 1294258839 /nfs/dbraw/zinc/25/88/39/1294258839.db2.gz HFSYYGWKSBLFEE-INIZCTEOSA-N 2 0 326.488 3.250 20 0 EGADRP CC(C)(C)OC(=O)NC[C@](C)([NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000161442140 1294292468 /nfs/dbraw/zinc/29/24/68/1294292468.db2.gz BRLVQWUQLHYIBO-IBGZPJMESA-N 2 0 339.524 3.145 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000165737199 1294359949 /nfs/dbraw/zinc/35/99/49/1294359949.db2.gz BANMLKYYSJMBFL-PBHICJAKSA-N 2 0 340.558 3.126 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000166449617 1294362779 /nfs/dbraw/zinc/36/27/79/1294362779.db2.gz MSRKBUBVAAJWMQ-HCXYKTFWSA-N 2 0 335.536 3.007 20 0 EGADRP CC(C)C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)N(C)C ZINC000177550767 1294677803 /nfs/dbraw/zinc/67/78/03/1294677803.db2.gz MMVXJHBFBMEDBB-QGZVFWFLSA-N 2 0 341.540 3.199 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CCN(C)CC2)ccc1OC ZINC000182234468 1295027296 /nfs/dbraw/zinc/02/72/96/1295027296.db2.gz RIZQOAVZBXWETM-MRXNPFEDSA-N 2 0 333.520 3.282 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000187752404 1295413429 /nfs/dbraw/zinc/41/34/29/1295413429.db2.gz KPYNGZOZEFCHLG-NVXWUHKLSA-N 2 0 339.524 3.238 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CCCC1)c1ccccc1 ZINC000870886054 1296130303 /nfs/dbraw/zinc/13/03/03/1296130303.db2.gz ZARJQTTXOOJXIX-WDSOQIARSA-N 2 0 343.515 3.284 20 0 EGADRP CCC[N@@H+]1CC[C@@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236783955 1296202743 /nfs/dbraw/zinc/20/27/43/1296202743.db2.gz RLYDZQRTQDYWKG-FQEVSTJZSA-N 2 0 331.548 3.466 20 0 EGADRP C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+](C)C ZINC000237500480 1296247425 /nfs/dbraw/zinc/24/74/25/1296247425.db2.gz IDDFJTQJKNLCCT-DLBZAZTESA-N 2 0 341.540 3.486 20 0 EGADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000245711005 1296319867 /nfs/dbraw/zinc/31/98/67/1296319867.db2.gz SYIBNEBKJGZYPV-MDZRGWNJSA-N 2 0 346.471 3.383 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)cc1C[NH+]1CCCCC1 ZINC000249150098 1296439437 /nfs/dbraw/zinc/43/94/37/1296439437.db2.gz XMNKYYOZIUPIPC-ABSDTBQOSA-N 2 0 346.515 3.493 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000251493787 1296458579 /nfs/dbraw/zinc/45/85/79/1296458579.db2.gz JJYAVWSMVCRRFP-VHRBIJSZSA-N 2 0 327.266 3.236 20 0 EGADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538110 1296592829 /nfs/dbraw/zinc/59/28/29/1296592829.db2.gz DBDITEGQVUEKTA-JSXRDJHFSA-N 2 0 327.516 3.161 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(O)c1F ZINC000872086707 1296725333 /nfs/dbraw/zinc/72/53/33/1296725333.db2.gz YQEVQAZPKMYURX-OAHLLOKOSA-N 2 0 343.446 3.489 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC000872123640 1296751924 /nfs/dbraw/zinc/75/19/24/1296751924.db2.gz YYZMIZGWGVUTOU-QUCCMNQESA-N 2 0 338.499 3.161 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000872294371 1296900624 /nfs/dbraw/zinc/90/06/24/1296900624.db2.gz MFUCIJAPUISMOY-RBUKOAKNSA-N 2 0 335.536 3.009 20 0 EGADRP CC(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000305164238 1296989007 /nfs/dbraw/zinc/98/90/07/1296989007.db2.gz SBDYALWIUHSUMW-LEWJYISDSA-N 2 0 346.515 3.331 20 0 EGADRP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000309949610 1297080389 /nfs/dbraw/zinc/08/03/89/1297080389.db2.gz XNZWSUCJCTWJTH-DLBZAZTESA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000309940000 1297080617 /nfs/dbraw/zinc/08/06/17/1297080617.db2.gz FAWJPLYHDOZLEW-SJORKVTESA-N 2 0 339.524 3.288 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310944441 1297103205 /nfs/dbraw/zinc/10/32/05/1297103205.db2.gz XDKWGGNIZBRWQG-NQIIRXRSSA-N 2 0 342.458 3.361 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000311181311 1297106901 /nfs/dbraw/zinc/10/69/01/1297106901.db2.gz YTYWSOKWNXRMLL-JXFKEZNVSA-N 2 0 346.421 3.110 20 0 EGADRP CCON1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000323129347 1297195249 /nfs/dbraw/zinc/19/52/49/1297195249.db2.gz PYVIBLYTQXDENW-FQEVSTJZSA-N 2 0 345.531 3.294 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873203044 1297348445 /nfs/dbraw/zinc/34/84/45/1297348445.db2.gz MZERHPFSIZHMKG-UHFFFAOYSA-N 3 0 335.561 3.338 20 0 EGADRP c1c(C[N@H+]2CC[C@H](COc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873210189 1297354592 /nfs/dbraw/zinc/35/45/92/1297354592.db2.gz YLOXAVJTDUYMDW-HNNXBMFYSA-N 2 0 328.481 3.295 20 0 EGADRP COC[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)c1cccc(Br)c1 ZINC000873224128 1297362964 /nfs/dbraw/zinc/36/29/64/1297362964.db2.gz XGGFMMRPXXIHQC-XEZPLFJOSA-N 2 0 341.293 3.114 20 0 EGADRP Cc1c(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)ccc2c[nH+]cn21 ZINC000349683752 1297380575 /nfs/dbraw/zinc/38/05/75/1297380575.db2.gz PRNYTXHKEZXGII-UHFFFAOYSA-N 2 0 333.395 3.421 20 0 EGADRP Brc1cccc2c1C[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873262146 1297395982 /nfs/dbraw/zinc/39/59/82/1297395982.db2.gz VVTOBNRONYGASP-DMRZNYOFSA-N 2 0 349.316 3.427 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873261947 1297396547 /nfs/dbraw/zinc/39/65/47/1297396547.db2.gz UEVQRJOZNYDNKO-YMBUTIGBSA-N 2 0 342.483 3.288 20 0 EGADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000873283115 1297408678 /nfs/dbraw/zinc/40/86/78/1297408678.db2.gz YTRIVELAJXDKDJ-JHJVBQTASA-N 2 0 334.407 3.014 20 0 EGADRP CCC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC)cc1 ZINC000873289353 1297410975 /nfs/dbraw/zinc/41/09/75/1297410975.db2.gz HYGMHXZIKRCZOW-RBUKOAKNSA-N 2 0 332.488 3.285 20 0 EGADRP c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291338 1297412511 /nfs/dbraw/zinc/41/25/11/1297412511.db2.gz JYGBEPHMBVVWGV-UFYCRDLUSA-N 2 0 328.500 3.461 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291587 1297414220 /nfs/dbraw/zinc/41/42/20/1297414220.db2.gz KTNZVURONDSKQE-DZGCQCFKSA-N 2 0 337.533 3.384 20 0 EGADRP C[C@H](NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873292287 1297414442 /nfs/dbraw/zinc/41/44/42/1297414442.db2.gz AGGYDAZVGWZXKB-NMNUPHIUSA-N 2 0 349.522 3.201 20 0 EGADRP CC(C)[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)ccc1F ZINC000873293392 1297416114 /nfs/dbraw/zinc/41/61/14/1297416114.db2.gz LRHYGUVOKWWTSM-YJBOKZPZSA-N 2 0 338.442 3.410 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000379710366 1297540371 /nfs/dbraw/zinc/54/03/71/1297540371.db2.gz DFJSNLGDDYOKBJ-INIZCTEOSA-N 2 0 341.540 3.105 20 0 EGADRP C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000382023010 1297557076 /nfs/dbraw/zinc/55/70/76/1297557076.db2.gz YTRWQTBRLKCQIA-OAHLLOKOSA-N 2 0 327.513 3.001 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000386011993 1297587640 /nfs/dbraw/zinc/58/76/40/1297587640.db2.gz VLKPQXCFWMIHPQ-APWZRJJASA-N 2 0 346.421 3.110 20 0 EGADRP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000391120660 1297637926 /nfs/dbraw/zinc/63/79/26/1297637926.db2.gz JVLAGPVFCKQBTA-GOSISDBHSA-N 2 0 345.531 3.182 20 0 EGADRP Cc1nn(C)c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000397519230 1297701872 /nfs/dbraw/zinc/70/18/72/1297701872.db2.gz DNXRDNRRMJCWRS-UHFFFAOYSA-N 2 0 346.906 3.384 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400460809 1297730412 /nfs/dbraw/zinc/73/04/12/1297730412.db2.gz UPFUGUICBMRWEL-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C12CCC2 ZINC000453107592 1297890313 /nfs/dbraw/zinc/89/03/13/1297890313.db2.gz LLKGCDWIBOZSBC-SLFFLAALSA-N 2 0 328.500 3.098 20 0 EGADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700804791 1298179391 /nfs/dbraw/zinc/17/93/91/1298179391.db2.gz RFQSSEQEKHUTBR-DLBZAZTESA-N 2 0 341.540 3.391 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000700800732 1298179952 /nfs/dbraw/zinc/17/99/52/1298179952.db2.gz VGFPYXOZRSWVTM-ZACQAIPSSA-N 2 0 339.524 3.144 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700803866 1298179969 /nfs/dbraw/zinc/17/99/69/1298179969.db2.gz NFXUEEWHJOJEOM-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724028783 1298344624 /nfs/dbraw/zinc/34/46/24/1298344624.db2.gz NWGOFLAJTGXZKN-HZPDHXFCSA-N 2 0 339.524 3.001 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876735105 1298947313 /nfs/dbraw/zinc/94/73/13/1298947313.db2.gz ZIEVIHIQPBPWOX-CTNGQTDRSA-N 2 0 341.499 3.186 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc1 ZINC000877007079 1299111126 /nfs/dbraw/zinc/11/11/26/1299111126.db2.gz CHQZPDNVUALOAS-AWEZNQCLSA-N 2 0 331.287 3.301 20 0 EGADRP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000877138050 1299177754 /nfs/dbraw/zinc/17/77/54/1299177754.db2.gz IDFFWCANMISGOB-UHFFFAOYSA-N 2 0 339.524 3.169 20 0 EGADRP c1ccc([C@H]2C[C@H](NCC[NH+]3CCCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877145585 1299180396 /nfs/dbraw/zinc/18/03/96/1299180396.db2.gz MCYOZVPENMIMSP-TZIWHRDSSA-N 2 0 327.516 3.430 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000877447415 1299306550 /nfs/dbraw/zinc/30/65/50/1299306550.db2.gz YODYZNCFGQKHEX-TWOQFEAHSA-N 2 0 343.515 3.466 20 0 EGADRP CC[NH+]1CCN(c2ccc(NC3CC[NH+](C(C)C)CC3)cc2F)CC1 ZINC000877767730 1299546179 /nfs/dbraw/zinc/54/61/79/1299546179.db2.gz VGFISSVCKGXHGN-UHFFFAOYSA-N 2 0 348.510 3.252 20 0 EGADRP O=C1[C@H]2CCCCC[C@H]2N1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752802370 1299796945 /nfs/dbraw/zinc/79/69/45/1299796945.db2.gz IKVNJSGEDDZFJK-VQTJNVASSA-N 2 0 347.547 3.323 20 0 EGADRP Clc1ccc(Cl)c(CN2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000878748057 1300172556 /nfs/dbraw/zinc/17/25/56/1300172556.db2.gz RVFZFVKEUVQMFX-UHFFFAOYSA-N 2 0 337.254 3.496 20 0 EGADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249149 1300452876 /nfs/dbraw/zinc/45/28/76/1300452876.db2.gz GRLLQYIBZGPIIH-OAHLLOKOSA-N 2 0 340.471 3.204 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](CCc1nc(-c3ccccc3)no1)CC2 ZINC000879248345 1300452966 /nfs/dbraw/zinc/45/29/66/1300452966.db2.gz RLBDLKYIRXRFRY-UHFFFAOYSA-N 2 0 340.471 3.087 20 0 EGADRP OC1(c2ccccc2)CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000760910790 1301361849 /nfs/dbraw/zinc/36/18/49/1301361849.db2.gz ZTXDVKNZHBWCDY-UHFFFAOYSA-N 2 0 328.500 3.281 20 0 EGADRP FC(F)(F)[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761056453 1301396799 /nfs/dbraw/zinc/39/67/99/1301396799.db2.gz XMSLSFZHBNBPRH-ZRGSSGQVSA-N 2 0 330.316 3.311 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccncc1)c1cc[nH+]cc1C(F)(F)F ZINC000882521095 1302002308 /nfs/dbraw/zinc/00/23/08/1302002308.db2.gz OBXRTWFHTVXILT-UHFFFAOYSA-N 2 0 338.377 3.454 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000765240708 1302225356 /nfs/dbraw/zinc/22/53/56/1302225356.db2.gz XPVVEAWNKKHDKW-QGZVFWFLSA-N 2 0 349.588 3.444 20 0 EGADRP c1ccc2c(c1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)C[C@H]1CCCN21 ZINC000883462715 1302453869 /nfs/dbraw/zinc/45/38/69/1302453869.db2.gz YBJJZMZYZGOUPA-HXUWFJFHSA-N 2 0 333.479 3.317 20 0 EGADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)C1CC1 ZINC000767410897 1302663618 /nfs/dbraw/zinc/66/36/18/1302663618.db2.gz GDGVESXVYHJJOY-OAQYLSRUSA-N 2 0 326.484 3.344 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000769682851 1303157685 /nfs/dbraw/zinc/15/76/85/1303157685.db2.gz BGLNFLZBCSJLDD-WCXIOVBPSA-N 2 0 341.540 3.388 20 0 EGADRP C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000886104495 1303355416 /nfs/dbraw/zinc/35/54/16/1303355416.db2.gz DGTRVSGNFRHQRC-MJGOQNOKSA-N 2 0 336.520 3.101 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000772513433 1303541746 /nfs/dbraw/zinc/54/17/46/1303541746.db2.gz YNQXNMPRCOAKKZ-MRXNPFEDSA-N 2 0 337.552 3.314 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)ccc1OC ZINC000775377690 1303950265 /nfs/dbraw/zinc/95/02/65/1303950265.db2.gz DKSPBFGBFCRCOO-BLLLJJGKSA-N 2 0 348.409 3.111 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)ccc1OC ZINC000775385855 1303952322 /nfs/dbraw/zinc/95/23/22/1303952322.db2.gz AMJIXBZHOADYAK-MGPUTAFESA-N 2 0 334.504 3.349 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2(O)CCCC2)ccc1OC ZINC000775391249 1303953398 /nfs/dbraw/zinc/95/33/98/1303953398.db2.gz SGQGJLIVDWXFPQ-INIZCTEOSA-N 2 0 334.504 3.493 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC ZINC000776167065 1304104962 /nfs/dbraw/zinc/10/49/62/1304104962.db2.gz JRAXXAWGVJNETB-KRWDZBQOSA-N 3 0 345.531 3.450 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@](C)(O)c2ccccc2)[C@@H](C)C1 ZINC000779085226 1304528086 /nfs/dbraw/zinc/52/80/86/1304528086.db2.gz KUYVKSOJDVEEHA-SESVDKBCSA-N 2 0 348.531 3.011 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000781198695 1304788873 /nfs/dbraw/zinc/78/88/73/1304788873.db2.gz DHRRGQWGBNRIMB-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+]1CCC(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000891772188 1305161038 /nfs/dbraw/zinc/16/10/38/1305161038.db2.gz XYSKSUKMZHKGLJ-TXEJJXNPSA-N 2 0 332.332 3.391 20 0 EGADRP C[C@H]1Cc2ccccc2N1C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000891831936 1305182065 /nfs/dbraw/zinc/18/20/65/1305182065.db2.gz DJTKODRDMHLPFW-KRWDZBQOSA-N 2 0 327.516 3.244 20 0 EGADRP C[NH+]1CCC(CNc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000892353746 1305330220 /nfs/dbraw/zinc/33/02/20/1305330220.db2.gz CGFDAOYAUFLKIW-UHFFFAOYSA-N 2 0 333.545 3.032 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCCC[NH+]1CCCC1)[NH+](C)C ZINC000785635205 1305400268 /nfs/dbraw/zinc/40/02/68/1305400268.db2.gz MMSCHUZJZUQYQW-NQIIRXRSSA-N 2 0 345.531 3.369 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC000786003874 1305489045 /nfs/dbraw/zinc/48/90/45/1305489045.db2.gz CZBNYTWBHSQDQO-UHFFFAOYSA-N 2 0 340.471 3.109 20 0 EGADRP CCOC(CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)OCC ZINC000786971012 1305670203 /nfs/dbraw/zinc/67/02/03/1305670203.db2.gz PXLWIHNZDOVJHS-WMZOPIPTSA-N 2 0 326.525 3.408 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000893305867 1305817017 /nfs/dbraw/zinc/81/70/17/1305817017.db2.gz YKTJXNNZGDRLSS-UHFFFAOYSA-N 2 0 345.487 3.063 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788586645 1305975840 /nfs/dbraw/zinc/97/58/40/1305975840.db2.gz FDVWHOCNSLSHDY-WMZOPIPTSA-N 2 0 325.456 3.002 20 0 EGADRP CC(C)CC[NH+]1CCC(Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000894569654 1308959811 /nfs/dbraw/zinc/95/98/11/1308959811.db2.gz MAQVNVMIXDLLFG-NRFANRHFSA-N 2 0 345.531 3.176 20 0 EGADRP Cc1nn(-c2ccccc2C)c(C)c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000894853621 1309100690 /nfs/dbraw/zinc/10/06/90/1309100690.db2.gz YXAKDDOPYSLQSZ-OAQYLSRUSA-N 2 0 338.499 3.325 20 0 EGADRP Cc1nn(-c2ccccc2C)c(C)c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000894853620 1309101179 /nfs/dbraw/zinc/10/11/79/1309101179.db2.gz YXAKDDOPYSLQSZ-NRFANRHFSA-N 2 0 338.499 3.325 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccnc2c(Br)cccc12)[NH+](C)C ZINC000895293529 1309273461 /nfs/dbraw/zinc/27/34/61/1309273461.db2.gz MYNXKPHCKPAUNF-LBPRGKRZSA-N 2 0 336.277 3.427 20 0 EGADRP C[C@@H](CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[NH+](C)C ZINC000895296553 1309274651 /nfs/dbraw/zinc/27/46/51/1309274651.db2.gz OUTIUBJELBRDCI-AWEZNQCLSA-N 2 0 341.902 3.373 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000895769831 1309510978 /nfs/dbraw/zinc/51/09/78/1309510978.db2.gz QUJJRQRIRHGZEH-SFHVURJKSA-N 2 0 331.504 3.017 20 0 EGADRP CN(CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C)C(=O)OC(C)(C)C ZINC000797965748 1310276340 /nfs/dbraw/zinc/27/63/40/1310276340.db2.gz TUYRJWPMIPATMI-MRXNPFEDSA-N 2 0 327.513 3.050 20 0 EGADRP CN(CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000797964845 1310276803 /nfs/dbraw/zinc/27/68/03/1310276803.db2.gz FIXKNXOTAWMDCQ-KRWDZBQOSA-N 2 0 339.524 3.051 20 0 EGADRP C([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798088148 1310293637 /nfs/dbraw/zinc/29/36/37/1310293637.db2.gz HZJHEMWTKCXJFC-IBGZPJMESA-N 2 0 336.520 3.306 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]([NH2+]CCC[NH+]1CCCCC1)C(C)(C)C ZINC000799204238 1310512577 /nfs/dbraw/zinc/51/25/77/1310512577.db2.gz SMDPDTQPVLQBJP-INIZCTEOSA-N 2 0 341.540 3.391 20 0 EGADRP CC(C)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1ccccc1 ZINC000839070552 1320861884 /nfs/dbraw/zinc/86/18/84/1320861884.db2.gz VUMYFFVRQKXKAX-RTWAWAEBSA-N 2 0 339.483 3.398 20 0 EGADRP c1cc(-c2noc(CC[C@@H]3CCC[NH2+]C3)n2)ccc1C[NH+]1CCCC1 ZINC000857255273 1328525396 /nfs/dbraw/zinc/52/53/96/1328525396.db2.gz SJFGMPFYRALQNG-INIZCTEOSA-N 2 0 340.471 3.265 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857282812 1328526240 /nfs/dbraw/zinc/52/62/40/1328526240.db2.gz IHSALDWGAAUEQA-VQTJNVASSA-N 2 0 343.515 3.051 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC000929451880 1328600448 /nfs/dbraw/zinc/60/04/48/1328600448.db2.gz SHKWRSNTUUAPMU-IBGZPJMESA-N 2 0 331.504 3.017 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001019288772 1317145984 /nfs/dbraw/zinc/14/59/84/1317145984.db2.gz COKRUJMZCKVCSV-LEAZDLGRSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@@H](C)CC)C1 ZINC000957113864 1317195194 /nfs/dbraw/zinc/19/51/94/1317195194.db2.gz ULCUVSAQCDJJJJ-PKOBYXMFSA-N 2 0 337.552 3.220 20 0 EGADRP CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000957278095 1317256372 /nfs/dbraw/zinc/25/63/72/1317256372.db2.gz FARRYQVHHBBJDT-ROUUACIJSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001019466230 1317261859 /nfs/dbraw/zinc/26/18/59/1317261859.db2.gz RYMDQPPXUKAKNX-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001019468052 1317263203 /nfs/dbraw/zinc/26/32/03/1317263203.db2.gz FFZAKTPGWYLPDU-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C2)c1 ZINC001019810738 1317438045 /nfs/dbraw/zinc/43/80/45/1317438045.db2.gz HISBMHBXWGBPKA-FQEVSTJZSA-N 2 0 341.499 3.053 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CCCC1)CC2)[NH+](C)C ZINC000957568912 1317467623 /nfs/dbraw/zinc/46/76/23/1317467623.db2.gz SFHJXMHQKNXNGE-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC000957625990 1317503640 /nfs/dbraw/zinc/50/36/40/1317503640.db2.gz DJPXFJGAJIELDR-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2NC)[C@H](C)C1 ZINC000902245362 1317551834 /nfs/dbraw/zinc/55/18/34/1317551834.db2.gz QCKBUKBHOVHULV-MJGOQNOKSA-N 2 0 333.520 3.263 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001020151013 1317565090 /nfs/dbraw/zinc/56/50/90/1317565090.db2.gz HSKFJPXMEQBNMV-LWYYNNOASA-N 2 0 347.547 3.068 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902337663 1317565111 /nfs/dbraw/zinc/56/51/11/1317565111.db2.gz QBIIPCBBVHBWSU-QGZVFWFLSA-N 2 0 331.504 3.032 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000902335898 1317565491 /nfs/dbraw/zinc/56/54/91/1317565491.db2.gz KWEHRFUNBRROSB-KRWDZBQOSA-N 3 0 335.561 3.328 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001020174898 1317574370 /nfs/dbraw/zinc/57/43/70/1317574370.db2.gz WVWJRVKYQXDFID-CADBVGFASA-N 2 0 349.563 3.170 20 0 EGADRP C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000902439936 1317578905 /nfs/dbraw/zinc/57/89/05/1317578905.db2.gz VIUXBZNUTAUCLX-NTSGDEEZSA-N 2 0 335.495 3.111 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000902439981 1317578942 /nfs/dbraw/zinc/57/89/42/1317578942.db2.gz WBBKYKZXZWYELU-LWILDLIXSA-N 2 0 327.516 3.244 20 0 EGADRP COc1ccc([C@@H](NCCc2cccnc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000902513817 1317584897 /nfs/dbraw/zinc/58/48/97/1317584897.db2.gz OOERGNFXMFFIJR-VQTJNVASSA-N 2 0 325.456 3.024 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](CC)CC2=CCCCC2)CC1)[NH+](C)C ZINC000957726787 1317593682 /nfs/dbraw/zinc/59/36/82/1317593682.db2.gz YNMIJZAMFRSFIH-HXUWFJFHSA-N 2 0 349.563 3.388 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020207782 1317594456 /nfs/dbraw/zinc/59/44/56/1317594456.db2.gz OVCXCCDBCDCDLI-QAQDUYKDSA-N 2 0 349.544 3.240 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC000957770285 1317634476 /nfs/dbraw/zinc/63/44/76/1317634476.db2.gz PCRKVNPWESKYQM-UHFFFAOYSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001020302734 1317635715 /nfs/dbraw/zinc/63/57/15/1317635715.db2.gz QSPYOKIMTBKVPB-MLYOOKFZSA-N 2 0 343.515 3.086 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C[C@@](C)(CC)CC2=O)CC1 ZINC000808177564 1317640416 /nfs/dbraw/zinc/64/04/16/1317640416.db2.gz UFEPTNKMPCKQOJ-FQEVSTJZSA-N 2 0 337.552 3.427 20 0 EGADRP COc1ccccc1O[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103764 1317652905 /nfs/dbraw/zinc/65/29/05/1317652905.db2.gz OCVILTSHXCTLHH-UNPWZGGWSA-N 2 0 330.472 3.210 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903099220 1317653078 /nfs/dbraw/zinc/65/30/78/1317653078.db2.gz ZCAVMDKMXVYGRW-UNPWZGGWSA-N 2 0 349.519 3.133 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903150680 1317664171 /nfs/dbraw/zinc/66/41/71/1317664171.db2.gz AAVZCCPECBWSBH-PHASAHSISA-N 2 0 339.527 3.254 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1C ZINC001020396305 1317678113 /nfs/dbraw/zinc/67/81/13/1317678113.db2.gz NVBHYQPZBCVCSD-WGSAOQKQSA-N 2 0 348.450 3.002 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C)cc1C[NH+]1CCCCC1 ZINC000903322150 1317687104 /nfs/dbraw/zinc/68/71/04/1317687104.db2.gz MDJIQRDAHLCZPM-APWZRJJASA-N 2 0 331.504 3.036 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1CC[NH3+] ZINC000903498852 1317706401 /nfs/dbraw/zinc/70/64/01/1317706401.db2.gz LREFSCZDDFVIBT-SJLPKXTDSA-N 2 0 325.456 3.077 20 0 EGADRP CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788721 1317734405 /nfs/dbraw/zinc/73/44/05/1317734405.db2.gz PEXKRZBRYUMBCH-MOPGFXCFSA-N 2 0 328.500 3.413 20 0 EGADRP CCCCc1noc([C@@H](C)[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903794511 1317736276 /nfs/dbraw/zinc/73/62/76/1317736276.db2.gz XZCAKZRGVGDKIF-MRXNPFEDSA-N 2 0 342.487 3.466 20 0 EGADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)CCC1 ZINC000903814594 1317736539 /nfs/dbraw/zinc/73/65/39/1317736539.db2.gz NLTNZSKWOULZRW-SFHVURJKSA-N 2 0 325.456 3.424 20 0 EGADRP Cc1cccc(NC(=O)CN2CCCC[C@H]2C2(C[NH3+])CCC2)c1C ZINC000903813368 1317736614 /nfs/dbraw/zinc/73/66/14/1317736614.db2.gz DPSQYANLBRZZPW-SFHVURJKSA-N 2 0 329.488 3.225 20 0 EGADRP FC(F)(F)c1cc([C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903909176 1317746715 /nfs/dbraw/zinc/74/67/15/1317746715.db2.gz CILKEIBBZIAZTF-PBNFFQIGSA-N 2 0 342.409 3.139 20 0 EGADRP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903939530 1317751469 /nfs/dbraw/zinc/75/14/69/1317751469.db2.gz ILZHFCYRNDABKW-FQVATPOOSA-N 2 0 339.527 3.433 20 0 EGADRP CC(C)([NH3+])CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000903939741 1317751621 /nfs/dbraw/zinc/75/16/21/1317751621.db2.gz LFQJTTFCVQFQBC-UHFFFAOYSA-N 2 0 327.875 3.161 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CNCc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000858245831 1328720641 /nfs/dbraw/zinc/72/06/41/1328720641.db2.gz PEXGRCPNARAAMD-LBPRGKRZSA-N 2 0 341.286 3.463 20 0 EGADRP C[C@@]1(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904370996 1317837498 /nfs/dbraw/zinc/83/74/98/1317837498.db2.gz GZHXHWAOGXLYSH-LSDHHAIUSA-N 2 0 334.426 3.057 20 0 EGADRP COc1ccsc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474959 1317851950 /nfs/dbraw/zinc/85/19/50/1317851950.db2.gz MZIDPEDFJQXTPV-RDTXWAMCSA-N 2 0 330.453 3.102 20 0 EGADRP COc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc(OC)c1O ZINC000809737320 1317884283 /nfs/dbraw/zinc/88/42/83/1317884283.db2.gz FZWQNQMFZKWOJM-UHFFFAOYSA-N 2 0 344.455 3.103 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)C1 ZINC000905905919 1318017088 /nfs/dbraw/zinc/01/70/88/1318017088.db2.gz HTWRNIDSJNZRIQ-KSSFIOAISA-N 2 0 326.431 3.024 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)c2cc(C[NH3+])ccn2)cc1)C(C)C ZINC000906224705 1318057589 /nfs/dbraw/zinc/05/75/89/1318057589.db2.gz SFPBJQQGTYPPLX-UHFFFAOYSA-N 2 0 340.471 3.047 20 0 EGADRP OCc1cc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000858480670 1328775148 /nfs/dbraw/zinc/77/51/48/1328775148.db2.gz ZQVYTSPSAXXDIR-DUXKGJEZSA-N 2 0 337.467 3.287 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021738649 1318645833 /nfs/dbraw/zinc/64/58/33/1318645833.db2.gz BKZHHBWKWQXXMM-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960664770 1318781206 /nfs/dbraw/zinc/78/12/06/1318781206.db2.gz LPPUZPRNSXXSMG-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960664773 1318782254 /nfs/dbraw/zinc/78/22/54/1318782254.db2.gz LPPUZPRNSXXSMG-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022068969 1318786821 /nfs/dbraw/zinc/78/68/21/1318786821.db2.gz DXEJZOFXVPRVCL-CEXWTWQISA-N 2 0 335.536 3.066 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001022077017 1318791976 /nfs/dbraw/zinc/79/19/76/1318791976.db2.gz HSKFJPXMEQBNMV-VNTMZGSJSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC000960686921 1318793287 /nfs/dbraw/zinc/79/32/87/1318793287.db2.gz JKDAGFFSQPVSGD-OALUTQOASA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022202278 1318840365 /nfs/dbraw/zinc/84/03/65/1318840365.db2.gz VKZJECGBVZOKPD-RSPOEFSDSA-N 2 0 343.515 3.247 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022202456 1318841049 /nfs/dbraw/zinc/84/10/49/1318841049.db2.gz ZDXLHNDKJUOTJQ-OTWHNJEPSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1Cl ZINC001022291370 1318881314 /nfs/dbraw/zinc/88/13/14/1318881314.db2.gz YKHRHIYYNQAUFJ-BSXFFOKHSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001022534960 1318979735 /nfs/dbraw/zinc/97/97/35/1318979735.db2.gz COMDKCBWFCVLHS-KDURUIRLSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000960862314 1319006398 /nfs/dbraw/zinc/00/63/98/1319006398.db2.gz PSSRIYJPKSTXKB-WOJBJXKFSA-N 2 0 345.531 3.004 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1c(C)cccc1C)[NH+](C)C ZINC000960883257 1319021526 /nfs/dbraw/zinc/02/15/26/1319021526.db2.gz PRPZJOFZYUACOU-QUCCMNQESA-N 2 0 345.531 3.066 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC000960942536 1319080147 /nfs/dbraw/zinc/08/01/47/1319080147.db2.gz YSWLEPIDFOPIKN-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)CC1 ZINC000960957139 1319087426 /nfs/dbraw/zinc/08/74/26/1319087426.db2.gz GDEFGSSMVKKHPQ-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCC1 ZINC000960975392 1319108747 /nfs/dbraw/zinc/10/87/47/1319108747.db2.gz VLQQPOXTAXAZCY-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCC1 ZINC000960975401 1319109299 /nfs/dbraw/zinc/10/92/99/1319109299.db2.gz VLQQPOXTAXAZCY-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@@H+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029766 1319152482 /nfs/dbraw/zinc/15/24/82/1319152482.db2.gz YMUIKBQBMAQAJQ-SFHVURJKSA-N 2 0 349.544 3.047 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000961031741 1319155217 /nfs/dbraw/zinc/15/52/17/1319155217.db2.gz OFDVQZJBDFGWML-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC001022921810 1319171794 /nfs/dbraw/zinc/17/17/94/1319171794.db2.gz OXJZDPGLYBWAKH-FFZOFVMBSA-N 2 0 343.515 3.105 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022957350 1319187248 /nfs/dbraw/zinc/18/72/48/1319187248.db2.gz TZDODFIZAFAIQW-HSALFYBXSA-N 2 0 347.547 3.378 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000817285605 1319315474 /nfs/dbraw/zinc/31/54/74/1319315474.db2.gz MIODOYMUZJLHKR-FQEVSTJZSA-N 2 0 341.543 3.208 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000817416273 1319355055 /nfs/dbraw/zinc/35/50/55/1319355055.db2.gz XHAHJYIFWYFOHR-YHNBSYBMSA-N 2 0 346.462 3.206 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)C[NH+]1CCCCC1 ZINC000930283398 1328825974 /nfs/dbraw/zinc/82/59/74/1328825974.db2.gz TZHYYIWBFKYLCQ-KRWDZBQOSA-N 2 0 347.503 3.117 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2ccccc2OC)CC[NH2+]CC1 ZINC000817901091 1319454821 /nfs/dbraw/zinc/45/48/21/1319454821.db2.gz YWHFPYXKPOETSA-RDJZCZTQSA-N 2 0 348.487 3.057 20 0 EGADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)cc1 ZINC000817897201 1319455466 /nfs/dbraw/zinc/45/54/66/1319455466.db2.gz GZVYKXOYIGFLCD-HKUYNNGSSA-N 2 0 338.499 3.477 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817904235 1319456971 /nfs/dbraw/zinc/45/69/71/1319456971.db2.gz ARQAEMWCKSXQOE-NQCMUKECSA-N 2 0 331.435 3.151 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000817915868 1319459842 /nfs/dbraw/zinc/45/98/42/1319459842.db2.gz AFQSLSNFYLDZRY-RLLQIKCJSA-N 2 0 343.515 3.078 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000817948418 1319473259 /nfs/dbraw/zinc/47/32/59/1319473259.db2.gz JNNQXJDPVAWDIK-NUNAXRQHSA-N 3 0 349.522 3.473 20 0 EGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC ZINC000817948584 1319473397 /nfs/dbraw/zinc/47/33/97/1319473397.db2.gz IJTSRTNDELLVQQ-JKSUJKDBSA-N 2 0 342.483 3.487 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023365128 1319476254 /nfs/dbraw/zinc/47/62/54/1319476254.db2.gz XOSHJQNUUUQCSU-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023365055 1319476911 /nfs/dbraw/zinc/47/69/11/1319476911.db2.gz VXFWZXKGFJRPAS-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(N2CCCOC2=O)cc1 ZINC000817960934 1319477665 /nfs/dbraw/zinc/47/76/65/1319477665.db2.gz SGURDSTZOYNVSD-LESCRADOSA-N 2 0 331.460 3.201 20 0 EGADRP COc1ccc([C@@H](C)NC[C@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000817959469 1319478375 /nfs/dbraw/zinc/47/83/75/1319478375.db2.gz ROOVZZHLEYCKKY-APWZRJJASA-N 2 0 333.520 3.315 20 0 EGADRP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817980001 1319484316 /nfs/dbraw/zinc/48/43/16/1319484316.db2.gz GXXOWUMWVPGERV-YESZJQIVSA-N 2 0 339.524 3.286 20 0 EGADRP COc1cccc2c1OC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C2 ZINC000817983809 1319485001 /nfs/dbraw/zinc/48/50/01/1319485001.db2.gz QVMQCZOUZUZDOJ-MSOLQXFVSA-N 2 0 326.440 3.069 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1C[NH+]1CCCCC1 ZINC000817983080 1319485573 /nfs/dbraw/zinc/48/55/73/1319485573.db2.gz YAENDPSKDCOBDC-SQGPQFPESA-N 3 0 345.531 3.459 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Br)ncc1F ZINC000817987828 1319487218 /nfs/dbraw/zinc/48/72/18/1319487218.db2.gz YNVJWLAQYIDNLB-IRCOFANPSA-N 2 0 342.256 3.022 20 0 EGADRP COC(OC)c1ccc(F)c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000818175687 1319510152 /nfs/dbraw/zinc/51/01/52/1319510152.db2.gz ADCRUIYLHMHPAB-UHFFFAOYSA-N 2 0 346.446 3.469 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023402919 1319510971 /nfs/dbraw/zinc/51/09/71/1319510971.db2.gz WPVPUZKZQQPBPJ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023404020 1319513077 /nfs/dbraw/zinc/51/30/77/1319513077.db2.gz PBDNPFIBOBFIJU-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961401257 1319557170 /nfs/dbraw/zinc/55/71/70/1319557170.db2.gz CUEKKMWVUKRBRX-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CCC3CC3)C2)CC1)[NH+](C)C ZINC000961409375 1319565685 /nfs/dbraw/zinc/56/56/85/1319565685.db2.gz CJGPUIVZINIHFF-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000818969409 1319597211 /nfs/dbraw/zinc/59/72/11/1319597211.db2.gz PFQJQPWWDNWGAZ-RHSMWYFYSA-N 2 0 344.421 3.450 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818981764 1319604042 /nfs/dbraw/zinc/60/40/42/1319604042.db2.gz YOKJCNYMGZNQAH-BBRMVZONSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818985619 1319605311 /nfs/dbraw/zinc/60/53/11/1319605311.db2.gz UAHLUBHWPMEKMQ-WMLDXEAASA-N 2 0 344.421 3.449 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818985620 1319605596 /nfs/dbraw/zinc/60/55/96/1319605596.db2.gz UAHLUBHWPMEKMQ-YOEHRIQHSA-N 2 0 344.421 3.449 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000819102660 1319636697 /nfs/dbraw/zinc/63/66/97/1319636697.db2.gz NRSHBGPADYXMLS-DOMZBBRYSA-N 2 0 348.409 3.185 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000819151997 1319650184 /nfs/dbraw/zinc/65/01/84/1319650184.db2.gz JTYQALCJQIRVNH-DYVFJYSZSA-N 2 0 328.859 3.080 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023561022 1319673878 /nfs/dbraw/zinc/67/38/78/1319673878.db2.gz WRXATCXWNQGXSO-INIZCTEOSA-N 2 0 349.519 3.219 20 0 EGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)[NH+]1CCCCC1 ZINC000819231275 1319675746 /nfs/dbraw/zinc/67/57/46/1319675746.db2.gz SJLDSOZITHHLJY-SUMWQHHRSA-N 2 0 328.859 3.367 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001023695444 1319821969 /nfs/dbraw/zinc/82/19/69/1319821969.db2.gz BASULCWULZYDBP-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP c1cnn(Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)c2)c1 ZINC000820807816 1319957780 /nfs/dbraw/zinc/95/77/80/1319957780.db2.gz RMXUAKFJJYZVIO-VCSGRIEYSA-N 2 0 336.483 3.179 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)c(F)c1 ZINC000820810044 1319958209 /nfs/dbraw/zinc/95/82/09/1319958209.db2.gz NMJDJGYDHDIIFN-UNPWZGGWSA-N 2 0 347.453 3.291 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000822766586 1320121945 /nfs/dbraw/zinc/12/19/45/1320121945.db2.gz VAMIJQABDYSBEG-IRXDYDNUSA-N 2 0 326.444 3.188 20 0 EGADRP CCC[NH+](CCC)CCCc1nc(-c2ccc(C[NH3+])cc2F)no1 ZINC000822900101 1320134598 /nfs/dbraw/zinc/13/45/98/1320134598.db2.gz BLXBKDMFIPKHAW-UHFFFAOYSA-N 2 0 334.439 3.389 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000823408836 1320177179 /nfs/dbraw/zinc/17/71/79/1320177179.db2.gz RIUDTGABUASYMY-SJORKVTESA-N 2 0 341.540 3.057 20 0 EGADRP Cc1noc2ncc(C[N@@H+]3CC[C@@H](CNc4cc(C)cc[nH+]4)C3)cc12 ZINC000825241575 1320320670 /nfs/dbraw/zinc/32/06/70/1320320670.db2.gz SNEIPNVXBKKGQJ-HNNXBMFYSA-N 2 0 337.427 3.169 20 0 EGADRP COC(=O)c1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000825325169 1320327233 /nfs/dbraw/zinc/32/72/33/1320327233.db2.gz BSPTXAHKQYJPGB-UHFFFAOYSA-N 2 0 348.462 3.499 20 0 EGADRP C[NH+](C)Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000838881876 1320829401 /nfs/dbraw/zinc/82/94/01/1320829401.db2.gz SVCPWJHLIMWGRZ-UHFFFAOYSA-N 2 0 328.435 3.363 20 0 EGADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCCCC1 ZINC000839559037 1320937845 /nfs/dbraw/zinc/93/78/45/1320937845.db2.gz VNNYEIQELABBAW-GOSISDBHSA-N 2 0 343.515 3.277 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000859155670 1328933518 /nfs/dbraw/zinc/93/35/18/1328933518.db2.gz ODAJWYZMPTTXAE-NVXWUHKLSA-N 2 0 339.524 3.048 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)nc1 ZINC000840809727 1321153511 /nfs/dbraw/zinc/15/35/11/1321153511.db2.gz NDRQZHQCENMWFF-STQMWFEESA-N 2 0 326.282 3.227 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000841031986 1321204757 /nfs/dbraw/zinc/20/47/57/1321204757.db2.gz FMXOZKZOJQZZIJ-OAQYLSRUSA-N 2 0 340.467 3.035 20 0 EGADRP COc1cccc(OCC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859212526 1328947119 /nfs/dbraw/zinc/94/71/19/1328947119.db2.gz ORLXLTZOXQRSTO-UHFFFAOYSA-N 2 0 328.456 3.268 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000842471754 1321392297 /nfs/dbraw/zinc/39/22/97/1321392297.db2.gz XNMVNMYUYZZAFU-UHFFFAOYSA-N 2 0 337.895 3.007 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000842471749 1321392650 /nfs/dbraw/zinc/39/26/50/1321392650.db2.gz XDIMOBIQKSGKDF-UHFFFAOYSA-N 2 0 330.476 3.288 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2cc1C ZINC000842474218 1321393050 /nfs/dbraw/zinc/39/30/50/1321393050.db2.gz KIRYPKFPHUDFNJ-QFBILLFUSA-N 2 0 340.467 3.374 20 0 EGADRP C[N@H+](Cc1csc(COc2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000843055981 1321462997 /nfs/dbraw/zinc/46/29/97/1321462997.db2.gz ULSPASWYSLSJDB-UHFFFAOYSA-N 2 0 331.485 3.424 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4C[C@@H]([NH3+])C4)n3)cc2)CC1 ZINC000843200883 1321486529 /nfs/dbraw/zinc/48/65/29/1321486529.db2.gz MLADLJFYURNIRC-CALCHBBNSA-N 2 0 326.444 3.173 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843348278 1321503384 /nfs/dbraw/zinc/50/33/84/1321503384.db2.gz BBDQBCAWVDKNBQ-GJZGRUSLSA-N 2 0 325.456 3.226 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843348267 1321503643 /nfs/dbraw/zinc/50/36/43/1321503643.db2.gz AEWTWBCFTFUUTD-LSDHHAIUSA-N 2 0 331.504 3.370 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000843785634 1321548002 /nfs/dbraw/zinc/54/80/02/1321548002.db2.gz PMGGCOPPASIZCH-FQEVSTJZSA-N 2 0 345.531 3.217 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845943081 1321756711 /nfs/dbraw/zinc/75/67/11/1321756711.db2.gz ZFIPLWFHQKJSAI-MNAZLIDISA-N 2 0 339.524 3.142 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000846218409 1321777598 /nfs/dbraw/zinc/77/75/98/1321777598.db2.gz NNXQKTXVJJTMBM-UHFFFAOYSA-N 2 0 337.895 3.007 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)c1 ZINC000848620230 1321981646 /nfs/dbraw/zinc/98/16/46/1321981646.db2.gz AFZDTKFXYVQHIT-XLIONFOSSA-N 2 0 338.455 3.190 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000848888201 1322030809 /nfs/dbraw/zinc/03/08/09/1322030809.db2.gz OOWMXPJEEVNLEO-CMDGGOBGSA-N 2 0 334.460 3.020 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)o1 ZINC000848894871 1322034229 /nfs/dbraw/zinc/03/42/29/1322034229.db2.gz PVNPTRPIBGFZBT-BQYQJAHWSA-N 2 0 334.460 3.068 20 0 EGADRP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000848895951 1322036335 /nfs/dbraw/zinc/03/63/35/1322036335.db2.gz ZHCPNQMAZQLYJQ-ZBTGYSDGSA-N 2 0 334.460 3.068 20 0 EGADRP C[C@@H]1C[C@H](CCNC(=[NH2+])NC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000848989172 1322056765 /nfs/dbraw/zinc/05/67/65/1322056765.db2.gz CSLRHPFBGAQMNW-AEFFLSMTSA-N 2 0 328.504 3.344 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC2CCCC2)cc1 ZINC000849002429 1322057809 /nfs/dbraw/zinc/05/78/09/1322057809.db2.gz FEDKYWGUXGLZDF-QGZVFWFLSA-N 2 0 344.503 3.106 20 0 EGADRP C[C@@H]1CCC[C@H]1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849075829 1322067846 /nfs/dbraw/zinc/06/78/46/1322067846.db2.gz NDWMURRLSCYPOC-AEFFLSMTSA-N 2 0 328.504 3.201 20 0 EGADRP C[C@H]1CCCN(C(=[NH2+])NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000849075786 1322067952 /nfs/dbraw/zinc/06/79/52/1322067952.db2.gz LJSVGVHIIMYNEG-PXNSSMCTSA-N 2 0 328.504 3.155 20 0 EGADRP CSC1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000849104421 1322079923 /nfs/dbraw/zinc/07/99/23/1322079923.db2.gz MNOPBXBEFRSBNT-UHFFFAOYSA-N 2 0 346.544 3.051 20 0 EGADRP CC(C)[C@H](CNC(=O)CCCC[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000920762476 1322219394 /nfs/dbraw/zinc/21/93/94/1322219394.db2.gz IUTPASVWUAGGAD-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC000921769818 1322395835 /nfs/dbraw/zinc/39/58/35/1322395835.db2.gz ONQOOFVVJUQPQF-UHFFFAOYSA-N 2 0 344.430 3.164 20 0 EGADRP c1cc2c(c(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)c1)OCC2 ZINC000922244873 1322486371 /nfs/dbraw/zinc/48/63/71/1322486371.db2.gz XVCKAOJYPVAQKW-UHFFFAOYSA-N 2 0 337.467 3.018 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC000922387374 1322514852 /nfs/dbraw/zinc/51/48/52/1322514852.db2.gz KHWUVYXBVGSELB-BDXSIMOUSA-N 2 0 340.870 3.048 20 0 EGADRP OCCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCc2ccccc21 ZINC000923315280 1322732556 /nfs/dbraw/zinc/73/25/56/1322732556.db2.gz FKPFUSUVJSPREH-VZKPYBMVSA-N 2 0 328.500 3.279 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1C[C@@H](O)Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000923384029 1322743736 /nfs/dbraw/zinc/74/37/36/1322743736.db2.gz QTSRIVFWFSLIOR-UWJYYQICSA-N 2 0 338.495 3.207 20 0 EGADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000923438585 1322751687 /nfs/dbraw/zinc/75/16/87/1322751687.db2.gz AKAAMHHJGPDYBA-HSALFYBXSA-N 2 0 344.499 3.127 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000923487988 1322760958 /nfs/dbraw/zinc/76/09/58/1322760958.db2.gz OUUOTGGQUNFDBT-KRWDZBQOSA-N 2 0 337.467 3.353 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cccc(C[NH+](C)C)c1 ZINC000924555005 1323054115 /nfs/dbraw/zinc/05/41/15/1323054115.db2.gz UKZHBPFRCJFOTG-QGZVFWFLSA-N 2 0 331.504 3.192 20 0 EGADRP C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cccc(C[NH+](C)C)c1 ZINC000924641075 1323089400 /nfs/dbraw/zinc/08/94/00/1323089400.db2.gz PGSOUZYIGGVXLR-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924675483 1323107129 /nfs/dbraw/zinc/10/71/29/1323107129.db2.gz POAWVHJOJXRCGS-INIZCTEOSA-N 2 0 345.531 3.436 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024119375 1323149404 /nfs/dbraw/zinc/14/94/04/1323149404.db2.gz YLHWHZFEKHXRAF-VQTJNVASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCCc2nnc3n2CCCCC3)CC1 ZINC000924920926 1323213845 /nfs/dbraw/zinc/21/38/45/1323213845.db2.gz RKCFVOWFOHLPIP-UHFFFAOYSA-N 2 0 347.551 3.037 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000924953127 1323226721 /nfs/dbraw/zinc/22/67/21/1323226721.db2.gz PISBIYBNWAMNGK-JKSUJKDBSA-N 2 0 329.488 3.275 20 0 EGADRP OCCCSCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924980691 1323236869 /nfs/dbraw/zinc/23/68/69/1323236869.db2.gz RLFQJOHVCYFPNL-IHWFROFDSA-N 2 0 348.556 3.277 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278908 1323256331 /nfs/dbraw/zinc/25/63/31/1323256331.db2.gz UCBXUXFEQMIDQN-FQEVSTJZSA-N 2 0 349.563 3.271 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc3c2OCO3)[C@H](C)C1 ZINC000925077389 1323269330 /nfs/dbraw/zinc/26/93/30/1323269330.db2.gz GZBDCHFXBVRKRI-NUJGCVRESA-N 2 0 348.487 3.203 20 0 EGADRP CCOCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853093747 1323277467 /nfs/dbraw/zinc/27/74/67/1323277467.db2.gz QPLFSZBSLKJMQO-IBGZPJMESA-N 2 0 332.488 3.271 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024366602 1323341261 /nfs/dbraw/zinc/34/12/61/1323341261.db2.gz TXXLGKYGCMINAB-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024436879 1323395857 /nfs/dbraw/zinc/39/58/57/1323395857.db2.gz JIXNFMAETFKUSO-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024468638 1323423310 /nfs/dbraw/zinc/42/33/10/1323423310.db2.gz LYQGYGPGNCIWJI-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CCC1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479771 1323432354 /nfs/dbraw/zinc/43/23/54/1323432354.db2.gz PHDXLJAQGZDTMP-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CC2)ccc2c[nH+]cn21 ZINC001024520173 1323468418 /nfs/dbraw/zinc/46/84/18/1323468418.db2.gz FEUMHOWQKDIOBC-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCCC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024530608 1323475905 /nfs/dbraw/zinc/47/59/05/1323475905.db2.gz HDXWUGKZIMOBRP-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711197 1323618688 /nfs/dbraw/zinc/61/86/88/1323618688.db2.gz IAFMKJQRTRNQMQ-LPHOPBHVSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024812711 1323715485 /nfs/dbraw/zinc/71/54/85/1323715485.db2.gz ROCXXCAWOAWYPS-QZTJIDSGSA-N 2 0 349.544 3.093 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024813340 1323716719 /nfs/dbraw/zinc/71/67/19/1323716719.db2.gz ZLZLTKPOMVLAGJ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)o1 ZINC001024820245 1323726006 /nfs/dbraw/zinc/72/60/06/1323726006.db2.gz XFYSBZMWMGQMEA-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024984893 1323813862 /nfs/dbraw/zinc/81/38/62/1323813862.db2.gz JRWBFTLPEOWECB-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001024991575 1323815355 /nfs/dbraw/zinc/81/53/55/1323815355.db2.gz GZCHSUFBVXUTEH-PMACEKPBSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001025073676 1323875028 /nfs/dbraw/zinc/87/50/28/1323875028.db2.gz PFZVCQNCHWAUCV-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025105501 1323897885 /nfs/dbraw/zinc/89/78/85/1323897885.db2.gz WHPAGSOWVNSMTA-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025257815 1324064549 /nfs/dbraw/zinc/06/45/49/1324064549.db2.gz ACVQMFZCIDXFFY-UXHICEINSA-N 2 0 347.547 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025286287 1324107376 /nfs/dbraw/zinc/10/73/76/1324107376.db2.gz IOUYTZIZVLIYNB-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001025295674 1324126763 /nfs/dbraw/zinc/12/67/63/1324126763.db2.gz QAJGRPSYOYHGGN-VQTJNVASSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514788 1324360590 /nfs/dbraw/zinc/36/05/90/1324360590.db2.gz FVYURBBIZNOVRS-DLBZAZTESA-N 2 0 349.519 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527030 1324371147 /nfs/dbraw/zinc/37/11/47/1324371147.db2.gz DEJZFMBCXMPWME-FXAWDEMLSA-N 2 0 345.531 3.031 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001026464917 1324825213 /nfs/dbraw/zinc/82/52/13/1324825213.db2.gz AWMSRIHITUJADT-MHJFOBGBSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026561414 1324896471 /nfs/dbraw/zinc/89/64/71/1324896471.db2.gz ZVBVWJGLBPHNQE-QHGAOEGBSA-N 2 0 347.547 3.378 20 0 EGADRP O=C(NC1CCC([NH2+]CCC2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001026593619 1324918820 /nfs/dbraw/zinc/91/88/20/1324918820.db2.gz XWPXBECOBAFLLP-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026610684 1324932819 /nfs/dbraw/zinc/93/28/19/1324932819.db2.gz RVFLDDGCZDQBBW-UHFFFAOYSA-N 2 0 343.515 3.179 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026872899 1325057896 /nfs/dbraw/zinc/05/78/96/1325057896.db2.gz BHWJCNVQPNSASY-INIZCTEOSA-N 2 0 349.544 3.052 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000925238680 1325091911 /nfs/dbraw/zinc/09/19/11/1325091911.db2.gz AOEGBLZLUZKUTI-NHCUHLMSSA-N 2 0 341.499 3.426 20 0 EGADRP Fc1ccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925482830 1325169838 /nfs/dbraw/zinc/16/98/38/1325169838.db2.gz YAGPFPIFNUDCQB-LJQANCHMSA-N 2 0 331.479 3.054 20 0 EGADRP Fc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1F ZINC000925485387 1325171533 /nfs/dbraw/zinc/17/15/33/1325171533.db2.gz MONCMJIFPWTINF-KBXCAEBGSA-N 2 0 335.442 3.055 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000925484002 1325171565 /nfs/dbraw/zinc/17/15/65/1325171565.db2.gz BIWPSFIVZHRRIY-LJQANCHMSA-N 2 0 335.455 3.146 20 0 EGADRP c1ccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925504178 1325180577 /nfs/dbraw/zinc/18/05/77/1325180577.db2.gz KWBJATKMAJNTDY-ACRUOGEOSA-N 2 0 327.516 3.019 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925564906 1325212050 /nfs/dbraw/zinc/21/20/50/1325212050.db2.gz MUTSYDFCZWHHRD-FQEVSTJZSA-N 3 0 327.516 3.163 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000925578794 1325218639 /nfs/dbraw/zinc/21/86/39/1325218639.db2.gz BCPUFTLYDWPTRE-IBGZPJMESA-N 2 0 340.467 3.460 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cc(CO)on1 ZINC000925614777 1325231231 /nfs/dbraw/zinc/23/12/31/1325231231.db2.gz KOYXOWQIBNHADE-XYJFISCASA-N 2 0 343.471 3.118 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c2ncnn21 ZINC000925616061 1325231759 /nfs/dbraw/zinc/23/17/59/1325231759.db2.gz QAYBOIKILCVYJU-FPAYPSAMSA-N 2 0 339.487 3.174 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000963444241 1325250370 /nfs/dbraw/zinc/25/03/70/1325250370.db2.gz VRLLYJUIZIDMCA-RTBURBONSA-N 2 0 346.519 3.022 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000925672591 1325256915 /nfs/dbraw/zinc/25/69/15/1325256915.db2.gz IJJCFNYMNVPSSB-UAGQMJEPSA-N 2 0 344.503 3.163 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963789227 1325401024 /nfs/dbraw/zinc/40/10/24/1325401024.db2.gz ZKXDVEIJIFUTNK-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000926152410 1325448500 /nfs/dbraw/zinc/44/85/00/1325448500.db2.gz AHAXNZVGXKHQHZ-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP CC(C)(C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000926274655 1325499330 /nfs/dbraw/zinc/49/93/30/1325499330.db2.gz JBNTWWSQWACLCQ-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP CN(C(=O)C[NH+]1CCCC1)C1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000964391481 1325503740 /nfs/dbraw/zinc/50/37/40/1325503740.db2.gz AAIPHPVBICFXOP-UHFFFAOYSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)C1 ZINC000856926353 1325540960 /nfs/dbraw/zinc/54/09/60/1325540960.db2.gz BWFKOWJHHBGWED-FQEVSTJZSA-N 2 0 343.515 3.102 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027408244 1327634477 /nfs/dbraw/zinc/63/44/77/1327634477.db2.gz LVKDLNONVNWRJQ-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)c1 ZINC001027460372 1327705651 /nfs/dbraw/zinc/70/56/51/1327705651.db2.gz JGAIMPVVKMUFKN-WOJBJXKFSA-N 2 0 345.531 3.012 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(-n2cnnc2)c1 ZINC000927039820 1327827538 /nfs/dbraw/zinc/82/75/38/1327827538.db2.gz WFBANZDGMNZHOM-PPDQVPDSSA-N 2 0 339.487 3.325 20 0 EGADRP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n(C)n1 ZINC000927040073 1327827967 /nfs/dbraw/zinc/82/79/67/1327827967.db2.gz WKOBEOPXUNCOCZ-KJJOEJEFSA-N 2 0 344.547 3.436 20 0 EGADRP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n(C)n1 ZINC000927040076 1327828037 /nfs/dbraw/zinc/82/80/37/1327828037.db2.gz WKOBEOPXUNCOCZ-YLJXDBKYSA-N 2 0 344.547 3.436 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC001027576763 1327914727 /nfs/dbraw/zinc/91/47/27/1327914727.db2.gz WHFGWXVRASZJJM-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CCc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027581926 1327917338 /nfs/dbraw/zinc/91/73/38/1327917338.db2.gz IHCQWIVMVUIKAR-UXHICEINSA-N 2 0 345.531 3.012 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCC2)C1 ZINC001027647248 1328026816 /nfs/dbraw/zinc/02/68/16/1328026816.db2.gz MDRYQMYUWUDIIT-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027651143 1328033542 /nfs/dbraw/zinc/03/35/42/1328033542.db2.gz LPCOIVIHYXGJSM-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000928012312 1328172283 /nfs/dbraw/zinc/17/22/83/1328172283.db2.gz WOMNEBSPWHTMQO-LRVNENBYSA-N 2 0 335.536 3.161 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027795576 1328231631 /nfs/dbraw/zinc/23/16/31/1328231631.db2.gz XPTAWFKDTMVMNU-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027918443 1328396273 /nfs/dbraw/zinc/39/62/73/1328396273.db2.gz NPNUVZMAANHHRT-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001027924043 1328403294 /nfs/dbraw/zinc/40/32/94/1328403294.db2.gz CILZUNADAHTQQK-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001028002703 1328464766 /nfs/dbraw/zinc/46/47/66/1328464766.db2.gz GKDBSXKUEHGYPC-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029514 1328492437 /nfs/dbraw/zinc/49/24/37/1328492437.db2.gz GKDYZSVFSSDJIN-OXQOHEQNSA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049760662 1348005884 /nfs/dbraw/zinc/00/58/84/1348005884.db2.gz APBDAYFUPLDSKD-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049760661 1348006075 /nfs/dbraw/zinc/00/60/75/1348006075.db2.gz APBDAYFUPLDSKD-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000865450830 1329699014 /nfs/dbraw/zinc/69/90/14/1329699014.db2.gz HBWJAPBPWDEPCA-UHFFFAOYSA-N 2 0 348.441 3.187 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1C(C)(C)C ZINC000865530426 1329709886 /nfs/dbraw/zinc/70/98/86/1329709886.db2.gz ALTIQOBVMNBKPT-KRWDZBQOSA-N 2 0 347.547 3.108 20 0 EGADRP Cc1cccc2oc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc21 ZINC000932684504 1329833090 /nfs/dbraw/zinc/83/30/90/1329833090.db2.gz LSZGLUNYWOMQMB-UHFFFAOYSA-N 2 0 345.487 3.087 20 0 EGADRP CC1=C(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC[N@H+]1C(C)C ZINC000933276016 1329877341 /nfs/dbraw/zinc/87/73/41/1329877341.db2.gz OEZIVXJDGPZQRY-UHFFFAOYSA-N 2 0 345.487 3.262 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000936055898 1330110925 /nfs/dbraw/zinc/11/09/25/1330110925.db2.gz AVVJZQITRFXBSJ-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP COC(=O)c1cnc([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)s1 ZINC000866470353 1330116542 /nfs/dbraw/zinc/11/65/42/1330116542.db2.gz WLZHVRBFKOTWDF-ZDUSSCGKSA-N 2 0 339.505 3.091 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866636851 1330136309 /nfs/dbraw/zinc/13/63/09/1330136309.db2.gz QIXAKJCVALFXNZ-UZLBHIALSA-N 2 0 334.504 3.219 20 0 EGADRP COc1ccccc1-c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)co1 ZINC000866666266 1330139575 /nfs/dbraw/zinc/13/95/75/1330139575.db2.gz OYTGVLKKMGOACU-INIZCTEOSA-N 2 0 341.455 3.172 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000939137723 1330384282 /nfs/dbraw/zinc/38/42/82/1330384282.db2.gz MIBAVUZZWLKVSL-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256335 1331890225 /nfs/dbraw/zinc/89/02/25/1331890225.db2.gz DMBRKJFEYQRWPQ-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597021 1331995787 /nfs/dbraw/zinc/99/57/87/1331995787.db2.gz HXSAMRBSQNAGGT-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942822492 1332042668 /nfs/dbraw/zinc/04/26/68/1332042668.db2.gz LRDKINLRNXYKDG-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943287075 1332138466 /nfs/dbraw/zinc/13/84/66/1332138466.db2.gz HSGKVDNGVMJOAH-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943290422 1332139761 /nfs/dbraw/zinc/13/97/61/1332139761.db2.gz XIURFBGWDSLERC-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943331992 1332150733 /nfs/dbraw/zinc/15/07/33/1332150733.db2.gz BEIFMBZMSUJRCY-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943516772 1332192010 /nfs/dbraw/zinc/19/20/10/1332192010.db2.gz MTGNDOPRVDESJQ-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808129 1332904574 /nfs/dbraw/zinc/90/45/74/1332904574.db2.gz JXJLPLBCSVHXAT-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722001 1333240776 /nfs/dbraw/zinc/24/07/76/1333240776.db2.gz CRBSAJZATDGOAS-FXAWDEMLSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC1CCCC1 ZINC000947726604 1333241974 /nfs/dbraw/zinc/24/19/74/1333241974.db2.gz RFHFKBZQBXYMBH-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947775519 1333257799 /nfs/dbraw/zinc/25/77/99/1333257799.db2.gz OJMKAXWKDXSVTH-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)[C@@H](C)C2)CC1 ZINC000947851864 1333280233 /nfs/dbraw/zinc/28/02/33/1333280233.db2.gz BIPLKEOALWLFSY-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067112 1333362388 /nfs/dbraw/zinc/36/23/88/1333362388.db2.gz UCOBJUMYVLVGLF-AEFFLSMTSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948435699 1333523608 /nfs/dbraw/zinc/52/36/08/1333523608.db2.gz NZGWNQSDSLBJCW-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000948755741 1333663558 /nfs/dbraw/zinc/66/35/58/1333663558.db2.gz KFDPVFRCRMXOTK-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832782 1333702541 /nfs/dbraw/zinc/70/25/41/1333702541.db2.gz ANZYHDXDRBTCQE-PKOBYXMFSA-N 2 0 337.552 3.077 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948833479 1333703409 /nfs/dbraw/zinc/70/34/09/1333703409.db2.gz UXLLJWVJZQWZPR-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000949042496 1333769574 /nfs/dbraw/zinc/76/95/74/1333769574.db2.gz JXYZCJNMIAIWSY-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CC2CCCCCC2)C1 ZINC000950063535 1334005959 /nfs/dbraw/zinc/00/59/59/1334005959.db2.gz LDBHOJDNXIUAPQ-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CC3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000950367938 1334051690 /nfs/dbraw/zinc/05/16/90/1334051690.db2.gz STDBGKSBCUFLKR-ZYKFHVCXSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708525 1335805721 /nfs/dbraw/zinc/80/57/21/1335805721.db2.gz SRDIHFRHICXRPS-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327991 1335891288 /nfs/dbraw/zinc/89/12/88/1335891288.db2.gz VRGXALJNCYYMCT-FXAWDEMLSA-N 2 0 345.531 3.031 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC3CCCC3)CC[C@H]2C)CC1 ZINC000968458756 1335931722 /nfs/dbraw/zinc/93/17/22/1335931722.db2.gz DUFSYMABUQGJKI-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968645347 1335994874 /nfs/dbraw/zinc/99/48/74/1335994874.db2.gz WXYXDVQGGRMNLR-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673824 1336004898 /nfs/dbraw/zinc/00/48/98/1336004898.db2.gz MNFIIEAEZDVMCL-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@H]1CC[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)Cn1ccnc1 ZINC000968702860 1336017547 /nfs/dbraw/zinc/01/75/47/1336017547.db2.gz POVCCKATEXDVNN-PKOBYXMFSA-N 2 0 346.519 3.070 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC000968782734 1336048925 /nfs/dbraw/zinc/04/89/25/1336048925.db2.gz ZBWTVURKQKKCQO-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCCCC2)CC[N@@H+]1C ZINC000968864173 1336072329 /nfs/dbraw/zinc/07/23/29/1336072329.db2.gz RFECUDPCASCXOC-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968915019 1336087580 /nfs/dbraw/zinc/08/75/80/1336087580.db2.gz ABFXRJSWIBJMBF-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1)C12CCC[NH+]1CCC2 ZINC000968934442 1336095439 /nfs/dbraw/zinc/09/54/39/1336095439.db2.gz XEUBXBJBNGCEPV-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936898 1336096167 /nfs/dbraw/zinc/09/61/67/1336096167.db2.gz UNEUAAIMPJVLLV-IAGOWNOFSA-N 2 0 346.450 3.057 20 0 EGADRP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936948 1336096381 /nfs/dbraw/zinc/09/63/81/1336096381.db2.gz VQWRWBQOABDYBQ-SFHVURJKSA-N 2 0 340.471 3.275 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059808 1336133815 /nfs/dbraw/zinc/13/38/15/1336133815.db2.gz RRBMHMGWCIHBSY-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100783 1336142788 /nfs/dbraw/zinc/14/27/88/1336142788.db2.gz HXNMEAXQUUMHLV-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2CC2)CC1 ZINC000969100900 1336143590 /nfs/dbraw/zinc/14/35/90/1336143590.db2.gz LLIVWSVJIYQFHY-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC000969563400 1336224310 /nfs/dbraw/zinc/22/43/10/1336224310.db2.gz DPQMWWIHNZDODN-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000969674319 1336235920 /nfs/dbraw/zinc/23/59/20/1336235920.db2.gz IHXRDDFEOVHUMU-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001005474448 1336357649 /nfs/dbraw/zinc/35/76/49/1336357649.db2.gz HOARMMQHWXJFBK-UHFFFAOYSA-N 2 0 337.533 3.002 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205601645 1370807084 /nfs/dbraw/zinc/80/70/84/1370807084.db2.gz FPGPFASQNMOZBW-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005872540 1336413657 /nfs/dbraw/zinc/41/36/57/1336413657.db2.gz BXGBFDJILRLYDB-IBGZPJMESA-N 2 0 335.536 3.115 20 0 EGADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005892262 1336417571 /nfs/dbraw/zinc/41/75/71/1336417571.db2.gz LWNSUTFIBFJBMO-UHFFFAOYSA-N 2 0 349.519 3.314 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005993392 1336435362 /nfs/dbraw/zinc/43/53/62/1336435362.db2.gz ANVRLCQQGSZDNW-SFHVURJKSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001006233449 1336473071 /nfs/dbraw/zinc/47/30/71/1336473071.db2.gz XYPPPBLSIFBQFF-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006443389 1336506802 /nfs/dbraw/zinc/50/68/02/1336506802.db2.gz CJAXJSUVJBGJHW-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007458336 1336651085 /nfs/dbraw/zinc/65/10/85/1336651085.db2.gz WFISSIARJNAFAW-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007749000 1336694344 /nfs/dbraw/zinc/69/43/44/1336694344.db2.gz TVYOQUCECLGWQL-WOJBJXKFSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008401886 1336843046 /nfs/dbraw/zinc/84/30/46/1336843046.db2.gz XSMKNPKBMRGYSB-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009625672 1337048635 /nfs/dbraw/zinc/04/86/35/1337048635.db2.gz FZBOSEROIOQPDG-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001009633953 1337050743 /nfs/dbraw/zinc/05/07/43/1337050743.db2.gz HJRWBTUDLRDNMW-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014723748 1337885022 /nfs/dbraw/zinc/88/50/22/1337885022.db2.gz RGVGWWXRDDQLAU-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001015033577 1337996575 /nfs/dbraw/zinc/99/65/75/1337996575.db2.gz RFRMUVDAXOGZME-MAUKXSAKSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015797115 1338315175 /nfs/dbraw/zinc/31/51/75/1338315175.db2.gz XWOJFGPTOYBLLT-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001015971810 1338385399 /nfs/dbraw/zinc/38/53/99/1338385399.db2.gz DPLJFLAQDBOCQG-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016660742 1338681621 /nfs/dbraw/zinc/68/16/21/1338681621.db2.gz AWSYKXBKPGKWRO-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662723 1338683241 /nfs/dbraw/zinc/68/32/41/1338683241.db2.gz MXFOFKBWMJDCBS-RBUKOAKNSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016862217 1338751368 /nfs/dbraw/zinc/75/13/68/1338751368.db2.gz TXSYZKGPHTXWQI-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862347 1338751373 /nfs/dbraw/zinc/75/13/73/1338751373.db2.gz WMTGRLGOLZVCGQ-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001017140998 1338893510 /nfs/dbraw/zinc/89/35/10/1338893510.db2.gz BDEYDWSZPMGORD-AZUAARDMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2=CCCCC2)C1)[NH+](C)C ZINC001017202474 1338948202 /nfs/dbraw/zinc/94/82/02/1338948202.db2.gz XTCHGMUALLQFNI-WOJBJXKFSA-N 2 0 349.563 3.243 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001017210161 1338956409 /nfs/dbraw/zinc/95/64/09/1338956409.db2.gz XGOBFYBBEVMJQA-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001017226548 1338966868 /nfs/dbraw/zinc/96/68/68/1338966868.db2.gz LCHVEYJQVAKGBR-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689985 1339391539 /nfs/dbraw/zinc/39/15/39/1339391539.db2.gz WFBMTFXDZLCKAQ-YTQUADARSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018067086 1339494531 /nfs/dbraw/zinc/49/45/31/1339494531.db2.gz PBENRQTZYBHUJS-BGYRXZFFSA-N 2 0 343.515 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001028089304 1340418984 /nfs/dbraw/zinc/41/89/84/1340418984.db2.gz YGYWQLICDQSNLU-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093035 1340421161 /nfs/dbraw/zinc/42/11/61/1340421161.db2.gz GKBXFAHNXIKDHY-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001028181048 1340471021 /nfs/dbraw/zinc/47/10/21/1340471021.db2.gz MKRPAVRDFILRII-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001028234785 1340496811 /nfs/dbraw/zinc/49/68/11/1340496811.db2.gz HROVJIKIPBEAQB-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001028334936 1340572631 /nfs/dbraw/zinc/57/26/31/1340572631.db2.gz LCMBLTIQBKBSCY-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028573862 1340710435 /nfs/dbraw/zinc/71/04/35/1340710435.db2.gz XLVAONJUTPJHTC-MRXNPFEDSA-N 2 0 349.544 3.052 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028844774 1340855863 /nfs/dbraw/zinc/85/58/63/1340855863.db2.gz CECSEUJKNYLNMC-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028844771 1340856205 /nfs/dbraw/zinc/85/62/05/1340856205.db2.gz CECSEUJKNYLNMC-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001028918362 1340883747 /nfs/dbraw/zinc/88/37/47/1340883747.db2.gz GBLUXFNJYJHVQR-MOPGFXCFSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001029100431 1340930043 /nfs/dbraw/zinc/93/00/43/1340930043.db2.gz JCMMWNSYVGICMZ-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101757 1340930282 /nfs/dbraw/zinc/93/02/82/1340930282.db2.gz MAKZJRQUVBVTNC-SQGPQFPESA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001029106777 1340931398 /nfs/dbraw/zinc/93/13/98/1340931398.db2.gz CNXUOQOJDIPHPH-KRWDZBQOSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001029159543 1340945269 /nfs/dbraw/zinc/94/52/69/1340945269.db2.gz FNUNJQMCRYKZCF-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1)[NH+]1CCCCC1 ZINC001029172821 1340948515 /nfs/dbraw/zinc/94/85/15/1340948515.db2.gz GQTHAXXXGSLCBX-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001029459872 1340995595 /nfs/dbraw/zinc/99/55/95/1340995595.db2.gz JHRKNCLKBIBBNX-HSALFYBXSA-N 2 0 347.547 3.138 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029503349 1341002464 /nfs/dbraw/zinc/00/24/64/1341002464.db2.gz QEMAOPGNWNXTSZ-CEXWTWQISA-N 2 0 349.563 3.361 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029595598 1341018542 /nfs/dbraw/zinc/01/85/42/1341018542.db2.gz NFQUVUHHOJFSKU-QGZVKYPTSA-N 2 0 347.547 3.115 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029597313 1341018849 /nfs/dbraw/zinc/01/88/49/1341018849.db2.gz OHLCKYFTXWDVQW-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029755012 1341064275 /nfs/dbraw/zinc/06/42/75/1341064275.db2.gz HHWATEPXMCRPBJ-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001030019338 1341159694 /nfs/dbraw/zinc/15/96/94/1341159694.db2.gz YTBJXYDLLWDBBJ-BXWFABGCSA-N 2 0 349.494 3.054 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031713885 1341392086 /nfs/dbraw/zinc/39/20/86/1341392086.db2.gz HPNMVRFFKCABQQ-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850049 1341411129 /nfs/dbraw/zinc/41/11/29/1341411129.db2.gz NFIAKJHJUNSNDM-INIZCTEOSA-N 2 0 348.450 3.066 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001033098113 1341721275 /nfs/dbraw/zinc/72/12/75/1341721275.db2.gz CEKNCYVMXFCWCT-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033125178 1341733240 /nfs/dbraw/zinc/73/32/40/1341733240.db2.gz AHDMHXOXAUKZKK-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033270309 1341764898 /nfs/dbraw/zinc/76/48/98/1341764898.db2.gz DKEPDRJPHAZLQT-IBGZPJMESA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033353041 1341793305 /nfs/dbraw/zinc/79/33/05/1341793305.db2.gz CYXKXDDHFOCJGJ-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033390679 1341809033 /nfs/dbraw/zinc/80/90/33/1341809033.db2.gz MELXGDJJEXBQJW-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033570512 1341878483 /nfs/dbraw/zinc/87/84/83/1341878483.db2.gz BAGWVHYANNQWBV-RTBURBONSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033880665 1342057390 /nfs/dbraw/zinc/05/73/90/1342057390.db2.gz YUBGYOOCAVFONL-YJBOKZPZSA-N 2 0 342.487 3.225 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](CCC(C)C)C2)C1 ZINC001033936940 1342100240 /nfs/dbraw/zinc/10/02/40/1342100240.db2.gz ZNBSHTHZZIVCAZ-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCCC2)C1 ZINC001034130533 1342260084 /nfs/dbraw/zinc/26/00/84/1342260084.db2.gz IGEHBUXFIGDXFR-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034204494 1342315300 /nfs/dbraw/zinc/31/53/00/1342315300.db2.gz MZTYDGNGOSVNSV-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210601 1342320544 /nfs/dbraw/zinc/32/05/44/1342320544.db2.gz IFJQQJLOGGADHT-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034272562 1342364074 /nfs/dbraw/zinc/36/40/74/1342364074.db2.gz VUKWLIKIGUPZTB-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331150 1342405838 /nfs/dbraw/zinc/40/58/38/1342405838.db2.gz RYDRCRYSQKJKMT-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378575 1342448209 /nfs/dbraw/zinc/44/82/09/1342448209.db2.gz VOZICKZWTDQQRW-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001034432695 1342493834 /nfs/dbraw/zinc/49/38/34/1342493834.db2.gz YTSGWPZHDNIXQQ-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034436773 1342499604 /nfs/dbraw/zinc/49/96/04/1342499604.db2.gz CGNVVJVLSVVVNH-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001034438404 1342500153 /nfs/dbraw/zinc/50/01/53/1342500153.db2.gz NKPHLECQPUFJBD-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034491297 1342548345 /nfs/dbraw/zinc/54/83/45/1342548345.db2.gz RYKMPQXENURDNJ-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535219 1342591740 /nfs/dbraw/zinc/59/17/40/1342591740.db2.gz CWKKIZVZXOWYBG-QFBILLFUSA-N 2 0 349.494 3.081 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545524 1342607345 /nfs/dbraw/zinc/60/73/45/1342607345.db2.gz UXOKAZNZEAFZQM-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CC3CC3)C2)o1 ZINC001034545709 1342608770 /nfs/dbraw/zinc/60/87/70/1342608770.db2.gz WBZVNXOWUVTLEY-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034659183 1342675814 /nfs/dbraw/zinc/67/58/14/1342675814.db2.gz OLAJMAZXDAHJAD-KZNAEPCWSA-N 2 0 349.544 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034662186 1342676403 /nfs/dbraw/zinc/67/64/03/1342676403.db2.gz FUIPKRAGIXWOBT-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)c1ccn2c[nH+]cc2c1 ZINC001034680246 1342689090 /nfs/dbraw/zinc/68/90/90/1342689090.db2.gz GISXAMHYDIJHKB-WGSAOQKQSA-N 2 0 348.450 3.165 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736772 1342728754 /nfs/dbraw/zinc/72/87/54/1342728754.db2.gz BVCUCQKKXDSIDS-FRYIKTPZSA-N 2 0 347.547 3.092 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001034750489 1342738261 /nfs/dbraw/zinc/73/82/61/1342738261.db2.gz XBFRUJWLPFVZEE-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001034817157 1342780724 /nfs/dbraw/zinc/78/07/24/1342780724.db2.gz VSPCRRQEYODXEN-FQEVSTJZSA-N 2 0 343.515 3.208 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001034954695 1342851657 /nfs/dbraw/zinc/85/16/57/1342851657.db2.gz UDLVARYFZDQDAT-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)CCC1 ZINC001034957094 1342852388 /nfs/dbraw/zinc/85/23/88/1342852388.db2.gz JSZRJIXENZXSPG-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001034983007 1342863967 /nfs/dbraw/zinc/86/39/67/1342863967.db2.gz UMWCFHRADFPKEY-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035001967 1342870191 /nfs/dbraw/zinc/87/01/91/1342870191.db2.gz HUVIKNRPINTRRI-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC001035010560 1342873980 /nfs/dbraw/zinc/87/39/80/1342873980.db2.gz CVGGRRFQBBWHKC-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001035051985 1342899482 /nfs/dbraw/zinc/89/94/82/1342899482.db2.gz VCYYRCDOIOIRBR-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001035086259 1342919018 /nfs/dbraw/zinc/91/90/18/1342919018.db2.gz RCBAAFMNUZKJKP-UYAOXDASSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035210266 1343028151 /nfs/dbraw/zinc/02/81/51/1343028151.db2.gz JXBJNCVMDWQMHM-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233886 1343056586 /nfs/dbraw/zinc/05/65/86/1343056586.db2.gz NVLIRQOLOKXVKI-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256934 1343083135 /nfs/dbraw/zinc/08/31/35/1343083135.db2.gz PCMGOROPOPTYQI-KDURUIRLSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001036159240 1343336100 /nfs/dbraw/zinc/33/61/00/1343336100.db2.gz FSBXLWHEYNCCBL-PXNSSMCTSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001036460981 1343498426 /nfs/dbraw/zinc/49/84/26/1343498426.db2.gz PBMJLLVLKYMYBY-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731720 1343661019 /nfs/dbraw/zinc/66/10/19/1343661019.db2.gz YGHHSEUIHKKLED-NVXWUHKLSA-N 2 0 349.544 3.002 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820705 1343758877 /nfs/dbraw/zinc/75/88/77/1343758877.db2.gz NEXUYEYATCFJSN-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCC2)cc1 ZINC001037091604 1343973861 /nfs/dbraw/zinc/97/38/61/1343973861.db2.gz HDQBPBKWIHAUFZ-VQTJNVASSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001037201984 1344038293 /nfs/dbraw/zinc/03/82/93/1344038293.db2.gz DGJLAUAYQXSOKG-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001037211134 1344045091 /nfs/dbraw/zinc/04/50/91/1344045091.db2.gz CTXCVDYCJIUCPR-UYAOXDASSA-N 2 0 345.531 3.077 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1)c1ccc2c[nH+]cn2c1 ZINC001037213317 1344046486 /nfs/dbraw/zinc/04/64/86/1344046486.db2.gz IILLLLGVUQIQAC-QFBILLFUSA-N 2 0 340.471 3.013 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001037251291 1344069488 /nfs/dbraw/zinc/06/94/88/1344069488.db2.gz WNLNJQYVZGNABK-PMACEKPBSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1[NH2+]C(C)C ZINC001037854428 1344140143 /nfs/dbraw/zinc/14/01/43/1344140143.db2.gz XMQWGYDZUSCVFP-GDBMZVCRSA-N 2 0 337.533 3.048 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037854706 1344140925 /nfs/dbraw/zinc/14/09/25/1344140925.db2.gz MEXQVWLJUJMPOK-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1CC ZINC001037887084 1344161890 /nfs/dbraw/zinc/16/18/90/1344161890.db2.gz OJZBQWICDZWRKD-PXNSSMCTSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1[NH2+]CC(C)C ZINC001037940508 1344193459 /nfs/dbraw/zinc/19/34/59/1344193459.db2.gz MKRWLKUJLLQXNH-AZUAARDMSA-N 2 0 345.531 3.235 20 0 EGADRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001037978719 1344217063 /nfs/dbraw/zinc/21/70/63/1344217063.db2.gz NLHGKFKPKPHJKU-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001037978723 1344217166 /nfs/dbraw/zinc/21/71/66/1344217166.db2.gz NLHGKFKPKPHJKU-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038339860 1344387259 /nfs/dbraw/zinc/38/72/59/1344387259.db2.gz KDGLBIITMBJSAK-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038519650 1344463044 /nfs/dbraw/zinc/46/30/44/1344463044.db2.gz MAQZXJHBDQLXLP-APWZRJJASA-N 2 0 348.450 3.208 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCCC2)CC[N@@H+]1C ZINC001038631762 1344512764 /nfs/dbraw/zinc/51/27/64/1344512764.db2.gz VRBGFLXNRWMKMG-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001039046827 1344732681 /nfs/dbraw/zinc/73/26/81/1344732681.db2.gz BUVLVJUABXIOAD-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001039051418 1344735691 /nfs/dbraw/zinc/73/56/91/1344735691.db2.gz VSSNAEGAQLCRQU-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182896 1344880875 /nfs/dbraw/zinc/88/08/75/1344880875.db2.gz UBYRMJRBOIKMQD-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235319 1344956608 /nfs/dbraw/zinc/95/66/08/1344956608.db2.gz WFTKGWOFKKDLSU-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235234 1344956779 /nfs/dbraw/zinc/95/67/79/1344956779.db2.gz VSORCWCKKWMUOE-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039277031 1344993711 /nfs/dbraw/zinc/99/37/11/1344993711.db2.gz VEYWERPDAFADCL-XVLXNVKGSA-N 2 0 335.536 3.017 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039298723 1345002194 /nfs/dbraw/zinc/00/21/94/1345002194.db2.gz LCZXQXQHWDBOHY-MVCQKVDPSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001039969666 1345272178 /nfs/dbraw/zinc/27/21/78/1345272178.db2.gz QZNWHZXFWIFBHW-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)CCC1 ZINC001040235263 1345388574 /nfs/dbraw/zinc/38/85/74/1345388574.db2.gz AISBJTMCEQXLRE-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242208 1345392786 /nfs/dbraw/zinc/39/27/86/1345392786.db2.gz XCDPGMRABGYZNN-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327576 1345434036 /nfs/dbraw/zinc/43/40/36/1345434036.db2.gz GGYNKMNVGPIWHY-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393314 1345473748 /nfs/dbraw/zinc/47/37/48/1345473748.db2.gz ATAAJECZRMFCEQ-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040396978 1345475457 /nfs/dbraw/zinc/47/54/57/1345475457.db2.gz XLWOKPKXYQNRLT-GHTZIAJQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040542326 1345537556 /nfs/dbraw/zinc/53/75/56/1345537556.db2.gz GVOZYGPSMFSQQS-NRFANRHFSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040542328 1345537726 /nfs/dbraw/zinc/53/77/26/1345537726.db2.gz GVOZYGPSMFSQQS-OAQYLSRUSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC001040720808 1345570507 /nfs/dbraw/zinc/57/05/07/1345570507.db2.gz JQYIZVOYLCPPBS-UHFFFAOYSA-N 2 0 349.544 3.146 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847661 1345587623 /nfs/dbraw/zinc/58/76/23/1345587623.db2.gz WAGVYQYFFDITNY-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001040948405 1345607592 /nfs/dbraw/zinc/60/75/92/1345607592.db2.gz QPQOWOBRKMPNKZ-UHFFFAOYSA-N 2 0 347.547 3.143 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001040947721 1345607825 /nfs/dbraw/zinc/60/78/25/1345607825.db2.gz BNKBWRJNNBIMEC-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001042922963 1346124914 /nfs/dbraw/zinc/12/49/14/1346124914.db2.gz IIKWLTZIPJLUHT-LJQANCHMSA-N 2 0 347.547 3.282 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+](CC2CCCCCC2)C1 ZINC001043356308 1346169587 /nfs/dbraw/zinc/16/95/87/1346169587.db2.gz ZQQFSGMJMGSMQO-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044629697 1346387569 /nfs/dbraw/zinc/38/75/69/1346387569.db2.gz OSOMAEOJEGTBLN-FUHWJXTLSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630357 1346387956 /nfs/dbraw/zinc/38/79/56/1346387956.db2.gz VWXZFTYSQJJBCP-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001044681329 1346402576 /nfs/dbraw/zinc/40/25/76/1346402576.db2.gz LSIRVJYNWXEBGH-LPHOPBHVSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044726811 1346412936 /nfs/dbraw/zinc/41/29/36/1346412936.db2.gz CFOOHIIKCCFWEO-PXNSSMCTSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857434 1346446935 /nfs/dbraw/zinc/44/69/35/1346446935.db2.gz JOMDLHLJGDFSLW-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]C(C)C)C[C@@H]2C)o1 ZINC001044878227 1346453068 /nfs/dbraw/zinc/45/30/68/1346453068.db2.gz KNSFFLUNIFWATH-HOTGVXAUSA-N 2 0 335.492 3.113 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)[NH+]1CCCCC1 ZINC001045037531 1346484531 /nfs/dbraw/zinc/48/45/31/1346484531.db2.gz NALXRWNMGCJRDQ-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001045147897 1346505836 /nfs/dbraw/zinc/50/58/36/1346505836.db2.gz PQZHMRDQRNCORG-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001045148450 1346505872 /nfs/dbraw/zinc/50/58/72/1346505872.db2.gz XLXQMIJZYHWQIE-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045201226 1346529227 /nfs/dbraw/zinc/52/92/27/1346529227.db2.gz YGIBBPDSERZASR-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441878 1346594611 /nfs/dbraw/zinc/59/46/11/1346594611.db2.gz LGEIEVRIAUTLJX-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045461200 1346599476 /nfs/dbraw/zinc/59/94/76/1346599476.db2.gz RRBZSRUSHJNFHK-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2(C)CC[NH+](C/C=C\Cl)CC2)cc1 ZINC001045590247 1346639074 /nfs/dbraw/zinc/63/90/74/1346639074.db2.gz VTODUDHRKUDKLJ-WCIBSUBMSA-N 2 0 349.906 3.085 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001045892187 1346735548 /nfs/dbraw/zinc/73/55/48/1346735548.db2.gz RKXUPVQPTZMHII-UXHICEINSA-N 2 0 345.531 3.038 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)[NH+](C)C ZINC001045964966 1346800349 /nfs/dbraw/zinc/80/03/49/1346800349.db2.gz QRIDTWHWNYDMMS-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001045975278 1346812028 /nfs/dbraw/zinc/81/20/28/1346812028.db2.gz YPYTVFLCEWKFTM-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976447 1346812968 /nfs/dbraw/zinc/81/29/68/1346812968.db2.gz ZOQSVLCOVHTJDT-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@]1(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](CCC2CC2)C1 ZINC001046315515 1346931611 /nfs/dbraw/zinc/93/16/11/1346931611.db2.gz XBORKRGPRDGANX-WIYYLYMNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001046330676 1346935903 /nfs/dbraw/zinc/93/59/03/1346935903.db2.gz PQKDESDYZIBEFW-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+](CC2CCCCC2)C1 ZINC001046450113 1346977817 /nfs/dbraw/zinc/97/78/17/1346977817.db2.gz PSXSCJJVWSPCDU-HXUWFJFHSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001046561949 1347018223 /nfs/dbraw/zinc/01/82/23/1347018223.db2.gz JYCMGIBOPRLRIV-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC3CCCC3)C2)cc1 ZINC001046707806 1347068891 /nfs/dbraw/zinc/06/88/91/1347068891.db2.gz XFWFCAAKECAZQU-OAQYLSRUSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC=C(C)C)CC2)C1)[NH+](C)C ZINC001047258258 1347281409 /nfs/dbraw/zinc/28/14/09/1347281409.db2.gz YSRHIHJMSVIRMD-UXHICEINSA-N 2 0 349.563 3.243 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047924096 1347411327 /nfs/dbraw/zinc/41/13/27/1347411327.db2.gz LKKVYIQPUTUYFK-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048480865 1347562321 /nfs/dbraw/zinc/56/23/21/1347562321.db2.gz WLJPEPMIUBADNO-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048530261 1347579650 /nfs/dbraw/zinc/57/96/50/1347579650.db2.gz MIEJPZUNRHNBHK-YRPNKDGESA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531395 1347580399 /nfs/dbraw/zinc/58/03/99/1347580399.db2.gz MWMSXVZRFOPTGK-FCGDIQPGSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048534004 1347582211 /nfs/dbraw/zinc/58/22/11/1347582211.db2.gz ODONYILIVJTTHA-GSEOLPGOSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910597 1347682585 /nfs/dbraw/zinc/68/25/85/1347682585.db2.gz BWQPHNQLLXUCRB-OKZBNKHCSA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC2CCCCC2)CCC1 ZINC001049517052 1347888034 /nfs/dbraw/zinc/88/80/34/1347888034.db2.gz GMBPDXALHAPTRZ-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049535666 1347896902 /nfs/dbraw/zinc/89/69/02/1347896902.db2.gz IHCZXQXHBRHZOU-GUDVDZBRSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049654003 1347957149 /nfs/dbraw/zinc/95/71/49/1347957149.db2.gz FOOJXBFMNCARLL-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049654508 1347957354 /nfs/dbraw/zinc/95/73/54/1347957354.db2.gz JGFQTXNZTMZMFH-AABGKKOBSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819690 1348036715 /nfs/dbraw/zinc/03/67/15/1348036715.db2.gz GVOGTXLFUIVOMZ-WOJBJXKFSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819687 1348036888 /nfs/dbraw/zinc/03/68/88/1348036888.db2.gz GVOGTXLFUIVOMZ-PMACEKPBSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124885 1348189373 /nfs/dbraw/zinc/18/93/73/1348189373.db2.gz OBUFAFKKJIWTRC-FRYIKTPZSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001050125140 1348190088 /nfs/dbraw/zinc/19/00/88/1348190088.db2.gz SDRILIRLEWQOAD-CADBVGFASA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001050261622 1348221487 /nfs/dbraw/zinc/22/14/87/1348221487.db2.gz HQUWRFQBCQUPFW-LPHOPBHVSA-N 2 0 331.504 3.235 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368081 1348240724 /nfs/dbraw/zinc/24/07/24/1348240724.db2.gz RIXHQNCICHQHGP-FRYIKTPZSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050374091 1348242449 /nfs/dbraw/zinc/24/24/49/1348242449.db2.gz NAHIYWCHSFNGSI-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001050386365 1348246788 /nfs/dbraw/zinc/24/67/88/1348246788.db2.gz OLQJQXGYEPZZSX-FHWLQOOXSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052377117 1348535275 /nfs/dbraw/zinc/53/52/75/1348535275.db2.gz NJRWMDLUJXYNML-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052499290 1348560117 /nfs/dbraw/zinc/56/01/17/1348560117.db2.gz SLCXZFDMEGDSOW-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)CC2)ccc2c[nH+]cn21 ZINC001052513900 1348563757 /nfs/dbraw/zinc/56/37/57/1348563757.db2.gz KOQWSCJZRYKRIB-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001052658410 1348616985 /nfs/dbraw/zinc/61/69/85/1348616985.db2.gz NCIVMFJGXOEJOD-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052715247 1348645475 /nfs/dbraw/zinc/64/54/75/1348645475.db2.gz BGZVYKLOJREJFW-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001052717762 1348646935 /nfs/dbraw/zinc/64/69/35/1348646935.db2.gz ZDZJXJAOKDKPEP-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052859588 1348705385 /nfs/dbraw/zinc/70/53/85/1348705385.db2.gz MZNJHIHOFBXVKS-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052958369 1348771935 /nfs/dbraw/zinc/77/19/35/1348771935.db2.gz MDHFSGQNNAFTRY-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029842 1348829141 /nfs/dbraw/zinc/82/91/41/1348829141.db2.gz WUHIFEMBQSWELY-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053055064 1348862613 /nfs/dbraw/zinc/86/26/13/1348862613.db2.gz VHGYGUKEKMNADB-VQTJNVASSA-N 2 0 349.563 3.223 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054142484 1349153017 /nfs/dbraw/zinc/15/30/17/1349153017.db2.gz CQLRXOFFUVGJJF-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001054183710 1349186728 /nfs/dbraw/zinc/18/67/28/1349186728.db2.gz OQNGWMDMTXBTLE-PZJWPPBQSA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186496 1349189030 /nfs/dbraw/zinc/18/90/30/1349189030.db2.gz UFFGQQITFSLZLC-FQEVSTJZSA-N 2 0 347.503 3.069 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196874 1349199426 /nfs/dbraw/zinc/19/94/26/1349199426.db2.gz PARSYZARSLNYTI-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001054198775 1349200697 /nfs/dbraw/zinc/20/06/97/1349200697.db2.gz GUUZMNSWXUVLEZ-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001054226478 1349220603 /nfs/dbraw/zinc/22/06/03/1349220603.db2.gz QUXLZVTVANCLQF-CTNGQTDRSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245136 1349238393 /nfs/dbraw/zinc/23/83/93/1349238393.db2.gz OYVIGABTVTVPDF-CTNGQTDRSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245203 1349238773 /nfs/dbraw/zinc/23/87/73/1349238773.db2.gz PSYANUNTUDZUDY-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270367 1349268905 /nfs/dbraw/zinc/26/89/05/1349268905.db2.gz MVBKQUCRTGKJMV-FQEVSTJZSA-N 2 0 341.499 3.069 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285715 1349288540 /nfs/dbraw/zinc/28/85/40/1349288540.db2.gz WIFJHTGNYAFXRW-PMACEKPBSA-N 2 0 341.499 3.045 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001054296825 1349301732 /nfs/dbraw/zinc/30/17/32/1349301732.db2.gz ULYODRITZQCGRP-BMGDILEWSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254835 1357537613 /nfs/dbraw/zinc/53/76/13/1357537613.db2.gz HTYUCLDOPVUFNT-ZIFCJYIRSA-N 2 0 343.515 3.059 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086176817 1359015677 /nfs/dbraw/zinc/01/56/77/1359015677.db2.gz QYCSBMCYVCFCOC-NSHGMRRFSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001071627411 1354811323 /nfs/dbraw/zinc/81/13/23/1354811323.db2.gz FJSZXWJAWWLYOI-PBHICJAKSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCCC1CCC1 ZINC001071734807 1354887138 /nfs/dbraw/zinc/88/71/38/1354887138.db2.gz AXGHZUVYEPYFMZ-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CC1CCCCC1 ZINC001071735336 1354887195 /nfs/dbraw/zinc/88/71/95/1354887195.db2.gz KNISQLFONWMKFL-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC1CCCCCC1 ZINC001071796822 1354941426 /nfs/dbraw/zinc/94/14/26/1354941426.db2.gz YADSCSWLRDXNOZ-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCCC1CCC1 ZINC001071822206 1354962896 /nfs/dbraw/zinc/96/28/96/1354962896.db2.gz VTXPTAMKPFIIHL-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873521 1354998521 /nfs/dbraw/zinc/99/85/21/1354998521.db2.gz YATNNPMWKOFOSS-QFBILLFUSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071896245 1355011839 /nfs/dbraw/zinc/01/18/39/1355011839.db2.gz FGSQPFDIUOPQLG-QFBILLFUSA-N 2 0 331.504 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CCCCC3)C2)CC1 ZINC001071931479 1355031524 /nfs/dbraw/zinc/03/15/24/1355031524.db2.gz WCRZXGBAHADTNE-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1CC1CCC1 ZINC001072099513 1355129982 /nfs/dbraw/zinc/12/99/82/1355129982.db2.gz SBQOYZRMFCTRFS-QFBILLFUSA-N 2 0 343.515 3.131 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C)c1ccccc1 ZINC001074687007 1356224203 /nfs/dbraw/zinc/22/42/03/1356224203.db2.gz GWXLGRSVMKKWFU-DBVUQKKJSA-N 2 0 343.515 3.201 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C)c1ccccc1 ZINC001074728847 1356228632 /nfs/dbraw/zinc/22/86/32/1356228632.db2.gz HHAURTXOWWKBQB-FTRWYGJKSA-N 2 0 348.450 3.288 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C)c1ccccc1 ZINC001074745779 1356230579 /nfs/dbraw/zinc/23/05/79/1356230579.db2.gz WWQUCZHBOGVFRI-FTRWYGJKSA-N 2 0 348.450 3.288 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078746174 1357070186 /nfs/dbraw/zinc/07/01/86/1357070186.db2.gz IOOONJSQWLLWRU-RBUKOAKNSA-N 2 0 343.515 3.035 20 0 EGADRP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]Cc1ccc(C)cc1 ZINC001323158363 1387304190 /nfs/dbraw/zinc/30/41/90/1387304190.db2.gz ICHTYENILHVTTK-UXHICEINSA-N 2 0 345.531 3.054 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183392501 1387306175 /nfs/dbraw/zinc/30/61/75/1387306175.db2.gz XHOHDROJEJYYFO-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001183433085 1387308252 /nfs/dbraw/zinc/30/82/52/1387308252.db2.gz PMQOTEDXYZYHDF-TZIWHRDSSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082507394 1358052914 /nfs/dbraw/zinc/05/29/14/1358052914.db2.gz OZINBJFGMQMNKW-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001082522319 1358053535 /nfs/dbraw/zinc/05/35/35/1358053535.db2.gz AHLHZBRWIOOBSO-GSEOLPGOSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)[NH+](C)C ZINC001084448015 1358215675 /nfs/dbraw/zinc/21/56/75/1358215675.db2.gz GPOISWQETCMZOZ-GUDVDZBRSA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)CC1 ZINC001183556732 1387318803 /nfs/dbraw/zinc/31/88/03/1387318803.db2.gz HKMIFPHBRHGBGI-UHFFFAOYSA-N 2 0 327.472 3.063 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)CC[NH3+] ZINC001183575949 1387320505 /nfs/dbraw/zinc/32/05/05/1387320505.db2.gz SPLLZIFRBYSCCK-IEBWSBKVSA-N 2 0 345.531 3.026 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCCCCC3)[C@H]2C1)[NH+](C)C ZINC001084970844 1358356498 /nfs/dbraw/zinc/35/64/98/1358356498.db2.gz XSLAZBVQCVHMDU-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CCCC3)[C@H]2C1)[NH+](C)C ZINC001085025220 1358370385 /nfs/dbraw/zinc/37/03/85/1358370385.db2.gz KUDLGYGIFDQWGK-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049719 1358378673 /nfs/dbraw/zinc/37/86/73/1358378673.db2.gz UNKGZGZQJWTWQV-AQNXPRMDSA-N 2 0 347.547 3.140 20 0 EGADRP CC1(C)CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001085258581 1358446076 /nfs/dbraw/zinc/44/60/76/1358446076.db2.gz RHMAFTNJCYPRBK-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)CC1 ZINC001085319699 1358464129 /nfs/dbraw/zinc/46/41/29/1358464129.db2.gz KTUFHBQPDDJSPR-WOJBJXKFSA-N 2 0 347.547 3.236 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085331851 1358470075 /nfs/dbraw/zinc/47/00/75/1358470075.db2.gz BOOICKYKHSDHOK-QXAKKESOSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCCCC2)CC[N@@H+]1C ZINC001085605475 1358627817 /nfs/dbraw/zinc/62/78/17/1358627817.db2.gz KRSZWNNLPIGPDG-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085629314 1358646109 /nfs/dbraw/zinc/64/61/09/1358646109.db2.gz QYEFCWCCXTUDPW-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085856360 1358823703 /nfs/dbraw/zinc/82/37/03/1358823703.db2.gz XGBSYAVBZRWZAS-ROUUACIJSA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001086091669 1358993109 /nfs/dbraw/zinc/99/31/09/1358993109.db2.gz INJJAQHADOGEEV-ZGXWSNOMSA-N 2 0 347.547 3.092 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086122385 1359002510 /nfs/dbraw/zinc/00/25/10/1359002510.db2.gz IZIFATPUVXVUOD-FTEYMNFISA-N 2 0 343.515 3.025 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001086137076 1359005647 /nfs/dbraw/zinc/00/56/47/1359005647.db2.gz MYIFHTJFAVKZHN-KDURUIRLSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086176855 1359015988 /nfs/dbraw/zinc/01/59/88/1359015988.db2.gz SLYZUPKBDREZMT-NSHGMRRFSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086216907 1359030676 /nfs/dbraw/zinc/03/06/76/1359030676.db2.gz FZCKMLXHYPGTCR-UHOSZYNNSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001086371336 1359079366 /nfs/dbraw/zinc/07/93/66/1359079366.db2.gz CJAYONJXIDQWKK-VBSBHUPXSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921155 1359248434 /nfs/dbraw/zinc/24/84/34/1359248434.db2.gz IYQBXNIVULZDJJ-OALUTQOASA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086926105 1359251275 /nfs/dbraw/zinc/25/12/75/1359251275.db2.gz PCRQEHJGXZOKFD-RTBURBONSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927399 1359252655 /nfs/dbraw/zinc/25/26/55/1359252655.db2.gz AMCIBMWDNAMRSH-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001086931056 1359254582 /nfs/dbraw/zinc/25/45/82/1359254582.db2.gz YDJUOYYIKBNFAZ-MRXNPFEDSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939777 1359261948 /nfs/dbraw/zinc/26/19/48/1359261948.db2.gz ZJZJUXHSHOWISU-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@@H]21 ZINC001087312071 1359399590 /nfs/dbraw/zinc/39/95/90/1359399590.db2.gz YVSNRRXJWPWOSQ-GUDVDZBRSA-N 2 0 349.563 3.122 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087523221 1359509715 /nfs/dbraw/zinc/50/97/15/1359509715.db2.gz NSHNIRBPIDQELP-OTWHNJEPSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1CC ZINC001087593733 1359547745 /nfs/dbraw/zinc/54/77/45/1359547745.db2.gz UBPBYYYXYHBPSG-RCCFBDPRSA-N 2 0 349.544 3.092 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCC1CC1 ZINC001087602570 1359550598 /nfs/dbraw/zinc/55/05/98/1359550598.db2.gz UWOIKJKGKAGQNJ-CEXWTWQISA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC1CCC1 ZINC001087762772 1359633245 /nfs/dbraw/zinc/63/32/45/1359633245.db2.gz MLAICXVSSFDDKD-VQTJNVASSA-N 2 0 343.515 3.131 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH2+]CCC3CCCC3)CC2)c1 ZINC001323617494 1387409311 /nfs/dbraw/zinc/40/93/11/1387409311.db2.gz YAYGUCYOSQCKPB-UHFFFAOYSA-N 2 0 343.515 3.181 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCC1CCCC1 ZINC001087840776 1359675016 /nfs/dbraw/zinc/67/50/16/1359675016.db2.gz NJFHGFVASJYTEV-XUVXKRRUSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088323388 1359830821 /nfs/dbraw/zinc/83/08/21/1359830821.db2.gz MYNCJDQCDLXECA-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001088367463 1359851881 /nfs/dbraw/zinc/85/18/81/1359851881.db2.gz KQJXCGNDHHZHHL-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399162 1359873681 /nfs/dbraw/zinc/87/36/81/1359873681.db2.gz CLXIEEUZPAJPSZ-LJQANCHMSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413058 1359884162 /nfs/dbraw/zinc/88/41/62/1359884162.db2.gz XAQWOXWEQPYAMP-TZIWHRDSSA-N 2 0 345.531 3.233 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001088811998 1360060339 /nfs/dbraw/zinc/06/03/39/1360060339.db2.gz HNNSRTYJROUKON-LSTHTHJFSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001088898528 1360097026 /nfs/dbraw/zinc/09/70/26/1360097026.db2.gz JDXXYRGLTBNBJW-HOJAQTOUSA-N 2 0 343.515 3.029 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898887 1360098404 /nfs/dbraw/zinc/09/84/04/1360098404.db2.gz ZXBXUJIBAMWOMA-NEWSRXKRSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)[C@@H]2C)CC1 ZINC001088951849 1360112189 /nfs/dbraw/zinc/11/21/89/1360112189.db2.gz KYHPMDUOBNFTGJ-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001089385281 1360386723 /nfs/dbraw/zinc/38/67/23/1360386723.db2.gz GCFUTWKHUGMERJ-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426528 1360419076 /nfs/dbraw/zinc/41/90/76/1360419076.db2.gz IYEDRIZWRCPBBJ-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089428244 1360420526 /nfs/dbraw/zinc/42/05/26/1360420526.db2.gz VPSHWQAWQPTZRZ-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430794 1360422847 /nfs/dbraw/zinc/42/28/47/1360422847.db2.gz UADOVDGSOWGVBE-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091267428 1361026877 /nfs/dbraw/zinc/02/68/77/1361026877.db2.gz KOLGEXFZRIMWJL-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001184561057 1387492853 /nfs/dbraw/zinc/49/28/53/1387492853.db2.gz WUHKOIKYWQGIAF-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091666903 1361175824 /nfs/dbraw/zinc/17/58/24/1361175824.db2.gz KHXNEDYGIUIIGH-OPYAIIAOSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091721072 1361191322 /nfs/dbraw/zinc/19/13/22/1361191322.db2.gz PDARLLOBGMGISY-LQWHRVPQSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(C)C)C[C@@]2(C)C1 ZINC001092191329 1361319366 /nfs/dbraw/zinc/31/93/66/1361319366.db2.gz PXMZWMKTAQKGAB-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001184710973 1387515967 /nfs/dbraw/zinc/51/59/67/1387515967.db2.gz AUBXVNZYIQNRGV-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585300 1361871092 /nfs/dbraw/zinc/87/10/92/1361871092.db2.gz RPACKNUQLHFEHE-NLWGTHIKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001324097252 1387540301 /nfs/dbraw/zinc/54/03/01/1387540301.db2.gz ITIKGVDZTURFDD-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001324102425 1387542889 /nfs/dbraw/zinc/54/28/89/1387542889.db2.gz WZCDSZQFBBSVFV-UHOSZYNNSA-N 2 0 331.504 3.059 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001095241970 1362065354 /nfs/dbraw/zinc/06/53/54/1362065354.db2.gz AYMKGWBAUBNEOV-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001095499206 1362157332 /nfs/dbraw/zinc/15/73/32/1362157332.db2.gz UUDQCBYSJJFVBR-FUMNGEBKSA-N 2 0 345.531 3.083 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)[NH+]1CCCC1 ZINC001095864571 1362259238 /nfs/dbraw/zinc/25/92/38/1362259238.db2.gz RSPFNCWGCPFGPK-QYZOEREBSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)CC[N@@H+]1C ZINC001097104293 1362844615 /nfs/dbraw/zinc/84/46/15/1362844615.db2.gz NTCMOOWUAZWFTL-IVDHNXQLSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001097176950 1362874605 /nfs/dbraw/zinc/87/46/05/1362874605.db2.gz CPOZOEFGYBDFFJ-YRXWBPOGSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)[NH+]1CCCC1 ZINC001097638894 1363085967 /nfs/dbraw/zinc/08/59/67/1363085967.db2.gz KIUMCWDAFYIIBQ-QRVBRYPASA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120608 1387622893 /nfs/dbraw/zinc/62/28/93/1387622893.db2.gz ULCDECNOHZCETK-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001098815131 1363479813 /nfs/dbraw/zinc/47/98/13/1363479813.db2.gz UROZDMVJSUMRGI-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098975365 1363550759 /nfs/dbraw/zinc/55/07/59/1363550759.db2.gz HBZHYGQLOHBKEH-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185170985 1387632212 /nfs/dbraw/zinc/63/22/12/1387632212.db2.gz SIOHPKDKRIMUAE-ZWKOTPCHSA-N 2 0 337.552 3.005 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099116803 1363633324 /nfs/dbraw/zinc/63/33/24/1363633324.db2.gz WGDQOROCTAHZLW-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130586 1363642336 /nfs/dbraw/zinc/64/23/36/1363642336.db2.gz PNDODULSECOXCU-IAGOWNOFSA-N 2 0 339.568 3.370 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099165592 1363666400 /nfs/dbraw/zinc/66/64/00/1363666400.db2.gz MXECFTOGRNOQCT-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099200259 1363689582 /nfs/dbraw/zinc/68/95/82/1363689582.db2.gz XZFXBUKFVMCGEG-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCC2)C1 ZINC001099240627 1363709412 /nfs/dbraw/zinc/70/94/12/1363709412.db2.gz UDQZKGSLSIGZKZ-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099296430 1363736698 /nfs/dbraw/zinc/73/66/98/1363736698.db2.gz AVUKFKXJZPUVQF-CNZFZVQHSA-N 2 0 337.552 3.291 20 0 EGADRP CC1(C)CC[C@H](CNC(=O)C[NH+]2CCCC2)[N@H+](CCCC2CCC2)C1 ZINC001099340720 1363760835 /nfs/dbraw/zinc/76/08/35/1363760835.db2.gz XJXDESFWBOCWSJ-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001100345122 1364085969 /nfs/dbraw/zinc/08/59/69/1364085969.db2.gz QLXMDHQYQBAWDX-ZGUYJTEBSA-N 2 0 337.552 3.027 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406959 1364104203 /nfs/dbraw/zinc/10/42/03/1364104203.db2.gz TWNJEGSHDHEADP-ACBHZAAOSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100410574 1364105170 /nfs/dbraw/zinc/10/51/70/1364105170.db2.gz CUKORMUGYNZIBP-AOCRQIFASA-N 2 0 343.515 3.025 20 0 EGADRP CC[C@@H]([NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1)c1ccccc1 ZINC001100457346 1364120354 /nfs/dbraw/zinc/12/03/54/1364120354.db2.gz ZFIAOSXLEXHUJR-NKELODKYSA-N 2 0 345.531 3.352 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471263 1364126795 /nfs/dbraw/zinc/12/67/95/1364126795.db2.gz WLVKZRDZQQFIHV-KMJZGYOJSA-N 2 0 349.563 3.338 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)CCCC1 ZINC001100538252 1364151267 /nfs/dbraw/zinc/15/12/67/1364151267.db2.gz LJCQGLIAOOJISH-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100669072 1364211065 /nfs/dbraw/zinc/21/10/65/1364211065.db2.gz NCTULNAVWJNIJL-DAWZGUTISA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001100669035 1364211353 /nfs/dbraw/zinc/21/13/53/1364211353.db2.gz LUUGPWMDCLJHPB-KVZIAJEVSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001100676206 1364213623 /nfs/dbraw/zinc/21/36/23/1364213623.db2.gz KADFLSMWOWTKHQ-UHFFFAOYSA-N 2 0 345.531 3.079 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)C1 ZINC001100678781 1364214629 /nfs/dbraw/zinc/21/46/29/1364214629.db2.gz WQBYPNOASKTKAD-KKXNLOMOSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729723 1364238307 /nfs/dbraw/zinc/23/83/07/1364238307.db2.gz LIEABWRZTWTKMM-BKBBAENRSA-N 2 0 335.536 3.090 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCCCC)C1 ZINC001100765231 1364251875 /nfs/dbraw/zinc/25/18/75/1364251875.db2.gz ZENNQNUJBMVDHK-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2CC([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001100785261 1364261239 /nfs/dbraw/zinc/26/12/39/1364261239.db2.gz ATSKEJILKHHHGA-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339831 1364517587 /nfs/dbraw/zinc/51/75/87/1364517587.db2.gz IEZULHAMAWVBHC-HUUJSLGLSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101345069 1364519466 /nfs/dbraw/zinc/51/94/66/1364519466.db2.gz RSWJOHMKQJWUSV-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1)C(C)C ZINC001101397014 1364544598 /nfs/dbraw/zinc/54/45/98/1364544598.db2.gz VTYMDLWBJDZFIP-SBHAEUEKSA-N 2 0 349.563 3.099 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2C[N@H+](CCC)C[C@@]2(C)C1 ZINC001101428230 1364559023 /nfs/dbraw/zinc/55/90/23/1364559023.db2.gz BAFUSYXSKUGKSA-QUCCMNQESA-N 2 0 337.552 3.079 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CCCC2)CC1 ZINC001101522380 1364597006 /nfs/dbraw/zinc/59/70/06/1364597006.db2.gz XVOYDJVOTJBOPA-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101546529 1364610293 /nfs/dbraw/zinc/61/02/93/1364610293.db2.gz FSNJFCDYRFLYKC-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001101550630 1364613499 /nfs/dbraw/zinc/61/34/99/1364613499.db2.gz SJTDXWUYPPTYCZ-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001101588266 1364638680 /nfs/dbraw/zinc/63/86/80/1364638680.db2.gz COBJFSIRGCKRQO-QGZVFWFLSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1nc[nH]c1CC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1 ZINC001101592231 1364643597 /nfs/dbraw/zinc/64/35/97/1364643597.db2.gz SYDYGFAIIOPIGE-UHFFFAOYSA-N 2 0 348.535 3.161 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001101596094 1364646488 /nfs/dbraw/zinc/64/64/88/1364646488.db2.gz IUFHEPIQPIIMDQ-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001101596200 1364646817 /nfs/dbraw/zinc/64/68/17/1364646817.db2.gz MYMLWOBPVZNYGL-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044969 1364821816 /nfs/dbraw/zinc/82/18/16/1364821816.db2.gz MEQIYTXYPGCGNH-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070315 1364836266 /nfs/dbraw/zinc/83/62/66/1364836266.db2.gz FNMPAFKTMVYIOZ-PWHNWJGYSA-N 2 0 337.552 3.003 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102190129 1364923766 /nfs/dbraw/zinc/92/37/66/1364923766.db2.gz SGKYFPJZDKKFAO-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189140 1364923831 /nfs/dbraw/zinc/92/38/31/1364923831.db2.gz XWYOQCOMRXFKPI-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292536 1364987818 /nfs/dbraw/zinc/98/78/18/1364987818.db2.gz RKMKOJVASDUHBD-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001102330383 1365005196 /nfs/dbraw/zinc/00/51/96/1365005196.db2.gz SELJSVZHMHLBJN-MISYRCLQSA-N 2 0 349.563 3.147 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C)C(C)C ZINC001102472016 1365074257 /nfs/dbraw/zinc/07/42/57/1365074257.db2.gz CVCHVVVCOLRTQD-QRVBRYPASA-N 2 0 339.568 3.083 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102599970 1365131948 /nfs/dbraw/zinc/13/19/48/1365131948.db2.gz FXEBJYIUSKAFLS-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001324661723 1387721944 /nfs/dbraw/zinc/72/19/44/1387721944.db2.gz OWROZVAGXIXBDS-ICSRJNTNSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001324669630 1387726286 /nfs/dbraw/zinc/72/62/86/1387726286.db2.gz PREJVRSTAKHNER-XLIONFOSSA-N 2 0 331.504 3.060 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103005072 1365334507 /nfs/dbraw/zinc/33/45/07/1365334507.db2.gz OFHXOEPBWNCGAT-OGEVPIHTSA-N 2 0 349.563 3.147 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185515189 1387736279 /nfs/dbraw/zinc/73/62/79/1387736279.db2.gz CZXGSESQLZYUDL-IAGOWNOFSA-N 2 0 346.519 3.026 20 0 EGADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C)[NH+](CC)CC ZINC001103426691 1365553196 /nfs/dbraw/zinc/55/31/96/1365553196.db2.gz IQLAHMMFZDMDRH-GUDVDZBRSA-N 2 0 337.552 3.147 20 0 EGADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001103426516 1365553299 /nfs/dbraw/zinc/55/32/99/1365553299.db2.gz AIWDAGFGSXDQMJ-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438704 1365561260 /nfs/dbraw/zinc/56/12/60/1365561260.db2.gz XRGDNJHUIAALCL-LXORQPIJSA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC001103631573 1365690116 /nfs/dbraw/zinc/69/01/16/1365690116.db2.gz UOKCFHGGQNVBKD-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C)c1ccccc1 ZINC001103634336 1365691981 /nfs/dbraw/zinc/69/19/81/1365691981.db2.gz UARKKHZQQANAKQ-RLLQIKCJSA-N 2 0 345.531 3.162 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185236 1365941541 /nfs/dbraw/zinc/94/15/41/1365941541.db2.gz AREMEMJVJAKSCZ-PFRNKHFKSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104265061 1365972210 /nfs/dbraw/zinc/97/22/10/1365972210.db2.gz RGTDJTIPTMEHRD-JCHUFIKGSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001104482254 1366044057 /nfs/dbraw/zinc/04/40/57/1366044057.db2.gz GCEOHFSZMFFVOT-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001324817436 1387782635 /nfs/dbraw/zinc/78/26/35/1387782635.db2.gz IJWZQPFAQLDMBB-OXJNMPFZSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001185707224 1387783456 /nfs/dbraw/zinc/78/34/56/1387783456.db2.gz ZIYWXQGFFOMTDU-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001185728213 1387785242 /nfs/dbraw/zinc/78/52/42/1387785242.db2.gz DBZYVEJVQGQBLK-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104641235 1366115561 /nfs/dbraw/zinc/11/55/61/1366115561.db2.gz GMTAFWFVRUWVGQ-BHIYHBOVSA-N 2 0 339.568 3.083 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104924356 1366225970 /nfs/dbraw/zinc/22/59/70/1366225970.db2.gz LETGHVAMWXRQAY-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001324868728 1387797975 /nfs/dbraw/zinc/79/79/75/1387797975.db2.gz NAHLRXXMIBTEQU-SFHVURJKSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001185780106 1387798025 /nfs/dbraw/zinc/79/80/25/1387798025.db2.gz TTWYXRYPWNVAJM-UXHICEINSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105517930 1366505326 /nfs/dbraw/zinc/50/53/26/1366505326.db2.gz NATVPONFZWIPKU-RBUKOAKNSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556065 1366528996 /nfs/dbraw/zinc/52/89/96/1366528996.db2.gz AYQONXWCXWICNJ-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105563352 1366532665 /nfs/dbraw/zinc/53/26/65/1366532665.db2.gz KSLZMTFXEDKVIM-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106322122 1366653706 /nfs/dbraw/zinc/65/37/06/1366653706.db2.gz KISUJYGDGKGTOZ-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571220 1366740477 /nfs/dbraw/zinc/74/04/77/1366740477.db2.gz PYGXMKCGFMGUGG-AHSYYPKJSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660434 1366767978 /nfs/dbraw/zinc/76/79/78/1366767978.db2.gz MWTHFTRYTZTEEI-QHDCNBPGSA-N 2 0 337.552 3.147 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106796801 1366800189 /nfs/dbraw/zinc/80/01/89/1366800189.db2.gz ABFXABBGBUKWSR-NHQAVIFJSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001107435967 1366962887 /nfs/dbraw/zinc/96/28/87/1366962887.db2.gz HVHJYWUKWZKCRV-QKNQBKEWSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439315 1366963643 /nfs/dbraw/zinc/96/36/43/1366963643.db2.gz VMAXINVSDHXBJV-SVFBPWRDSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312939 1366986103 /nfs/dbraw/zinc/98/61/03/1366986103.db2.gz YYUAQYANRHUBHD-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)[NH+](CC)CC ZINC001107544202 1367035452 /nfs/dbraw/zinc/03/54/52/1367035452.db2.gz RDTFPUNMJGJPPA-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189660862 1367080432 /nfs/dbraw/zinc/08/04/32/1367080432.db2.gz ZVZQMDPCDYGZDO-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646711 1367091542 /nfs/dbraw/zinc/09/15/42/1367091542.db2.gz RMIACBRQOLRQSX-WKQNUPFUSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474009 1367145850 /nfs/dbraw/zinc/14/58/50/1367145850.db2.gz NDYPZJDLQQAAOW-FYQPLNBISA-N 2 0 349.563 3.265 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473710 1367145922 /nfs/dbraw/zinc/14/59/22/1367145922.db2.gz AYYBKZCNQCAEET-XWSJACJDSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560748 1367198482 /nfs/dbraw/zinc/19/84/82/1367198482.db2.gz PILRIRWPJDIEPN-LMCOJAPRSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190652763 1367317149 /nfs/dbraw/zinc/31/71/49/1367317149.db2.gz AJOAOSDWWKPIAL-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798575 1367329274 /nfs/dbraw/zinc/32/92/74/1367329274.db2.gz JDLFKNLBJRRMIZ-LIAHNQMCSA-N 2 0 347.547 3.327 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744599 1367340796 /nfs/dbraw/zinc/34/07/96/1367340796.db2.gz SJXLOBIFDLATDE-OXUXSNCKSA-N 2 0 335.536 3.140 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007060 1367455548 /nfs/dbraw/zinc/45/55/48/1367455548.db2.gz HFSKLVZQNHPMPM-CNGCZUSVSA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)CC1 ZINC001110015009 1367458366 /nfs/dbraw/zinc/45/83/66/1367458366.db2.gz SIVZNOVIJNTTFD-PBDJWPIDSA-N 2 0 349.563 3.266 20 0 EGADRP CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCCC2)C3)C1 ZINC001110115019 1367507469 /nfs/dbraw/zinc/50/74/69/1367507469.db2.gz MGTFCRVPCNIBDZ-PBDJWPIDSA-N 2 0 347.547 3.020 20 0 EGADRP CC1CC(C[N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001191551374 1367526328 /nfs/dbraw/zinc/52/63/28/1367526328.db2.gz KUVJHLMHJHOPNU-AFMYVXGZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550311 1367526482 /nfs/dbraw/zinc/52/64/82/1367526482.db2.gz BKUJURRKOGZPEU-MJGOQNOKSA-N 2 0 337.552 3.220 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108702785 1367542512 /nfs/dbraw/zinc/54/25/12/1367542512.db2.gz BGMROAQYRSITIA-OJUCNMNVSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108800409 1367603883 /nfs/dbraw/zinc/60/38/83/1367603883.db2.gz CNEZWOHFLSXXLK-FHWLQOOXSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823503 1367620136 /nfs/dbraw/zinc/62/01/36/1367620136.db2.gz OCKYKWHSXCXVAM-UFYCRDLUSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828308 1367623114 /nfs/dbraw/zinc/62/31/14/1367623114.db2.gz LEGSGWDRTQQEQC-FHWLQOOXSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001191989265 1367658773 /nfs/dbraw/zinc/65/87/73/1367658773.db2.gz RSCTVSGLUKSYEQ-GOSISDBHSA-N 2 0 347.503 3.068 20 0 EGADRP c1ccc(CC2CC[NH+](CCC[N@@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001192244351 1367728352 /nfs/dbraw/zinc/72/83/52/1367728352.db2.gz ZNXSBJGJXFKETM-QFIPXVFZSA-N 2 0 342.527 3.444 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1)[NH+](CC)CC ZINC001192325069 1367752142 /nfs/dbraw/zinc/75/21/42/1367752142.db2.gz JRPGDJNOLWNUNU-WOJBJXKFSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001192325081 1367752986 /nfs/dbraw/zinc/75/29/86/1367752986.db2.gz JSCKPKMPNYARPU-DLBZAZTESA-N 2 0 325.541 3.076 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1)C(C)C ZINC001192917649 1367904158 /nfs/dbraw/zinc/90/41/58/1367904158.db2.gz PVNTUKRHCANMRJ-MSOLQXFVSA-N 2 0 343.531 3.025 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1 ZINC001110734213 1367953305 /nfs/dbraw/zinc/95/33/05/1367953305.db2.gz CUCHYTNYKGAKSY-AITUJVMLSA-N 2 0 343.515 3.199 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748721 1367958759 /nfs/dbraw/zinc/95/87/59/1367958759.db2.gz PWHRBSIWOQHBKO-KURKYZTESA-N 2 0 335.536 3.161 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001193424464 1368027498 /nfs/dbraw/zinc/02/74/98/1368027498.db2.gz MNCFJFGGEGUTRV-MSOLQXFVSA-N 2 0 343.531 3.169 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886263 1368060035 /nfs/dbraw/zinc/06/00/35/1368060035.db2.gz UMVPLWQQIDZCJB-KURKYZTESA-N 2 0 335.536 3.163 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001193600797 1368070675 /nfs/dbraw/zinc/07/06/75/1368070675.db2.gz LXQJDOZNUKGVNN-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193631510 1368080112 /nfs/dbraw/zinc/08/01/12/1368080112.db2.gz YEXASHIAYICCQR-HXUWFJFHSA-N 2 0 345.531 3.185 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001193641020 1368082332 /nfs/dbraw/zinc/08/23/32/1368082332.db2.gz HDGDEDMZWCCEGQ-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH+](CC)CC)CC2)cc1 ZINC001325233508 1387919349 /nfs/dbraw/zinc/91/93/49/1387919349.db2.gz KXVIMRDUUGTOIA-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934615 1368105122 /nfs/dbraw/zinc/10/51/22/1368105122.db2.gz JNDSDZTZMQKPHI-UXKFTAHHSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001111036011 1368146258 /nfs/dbraw/zinc/14/62/58/1368146258.db2.gz RAHLHTMPSKZJBM-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001194245752 1368216345 /nfs/dbraw/zinc/21/63/45/1368216345.db2.gz DQJABJSGNIAPFD-GOSISDBHSA-N 2 0 345.531 3.331 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111261374 1368227914 /nfs/dbraw/zinc/22/79/14/1368227914.db2.gz OJKSSKSEYQJRFH-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001111460478 1368311963 /nfs/dbraw/zinc/31/19/63/1368311963.db2.gz VOZLZNBHNKSGGE-RLLQIKCJSA-N 2 0 343.515 3.274 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001111777203 1368456887 /nfs/dbraw/zinc/45/68/87/1368456887.db2.gz SZPYBGGUEJRDIE-DYXWJJEUSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001111816969 1368479608 /nfs/dbraw/zinc/47/96/08/1368479608.db2.gz GZWWYSAYWXMPLC-ZVDOUQERSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001196023758 1368536633 /nfs/dbraw/zinc/53/66/33/1368536633.db2.gz BMCSQIOJDSOYHE-KRWDZBQOSA-N 2 0 343.531 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111926884 1368563687 /nfs/dbraw/zinc/56/36/87/1368563687.db2.gz NVCSLGFSDFSROW-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947560 1368570559 /nfs/dbraw/zinc/57/05/59/1368570559.db2.gz OPWPLPYNILSJTB-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001196339590 1368592068 /nfs/dbraw/zinc/59/20/68/1368592068.db2.gz AOXNXWSRZOTMIV-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CCc1ccccc1C[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001196350545 1368595457 /nfs/dbraw/zinc/59/54/57/1368595457.db2.gz VMAASCKTGPIEBJ-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196423490 1368612759 /nfs/dbraw/zinc/61/27/59/1368612759.db2.gz LZDFHAJBXTXXPU-SNAWJCMRSA-N 2 0 340.471 3.229 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001112009606 1368613664 /nfs/dbraw/zinc/61/36/64/1368613664.db2.gz LDGYSLNFRMQVSJ-FPOVZHCZSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[N@H+](CC3CCC(C)(C)CC3)CC2)CC1 ZINC001196953861 1368719546 /nfs/dbraw/zinc/71/95/46/1368719546.db2.gz YLSNOILAXBIZBB-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197142291 1368753321 /nfs/dbraw/zinc/75/33/21/1368753321.db2.gz WMNQQMMXSYHVCE-GDWUOILNSA-N 2 0 337.552 3.388 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330597 1368789532 /nfs/dbraw/zinc/78/95/32/1368789532.db2.gz CCUIWKLUMGJKTR-PHWHVTFISA-N 2 0 335.536 3.142 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112428461 1368843049 /nfs/dbraw/zinc/84/30/49/1368843049.db2.gz IXTVBZFYLUSMEU-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197817014 1368905168 /nfs/dbraw/zinc/90/51/68/1368905168.db2.gz CPXULZFMYGZEAK-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001112514745 1368909137 /nfs/dbraw/zinc/90/91/37/1368909137.db2.gz HEUADSWUTWXWAV-ZJOUEHCJSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCCC2)C1 ZINC001112523441 1368913036 /nfs/dbraw/zinc/91/30/36/1368913036.db2.gz TUAXOFMUWSIZDT-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001197907478 1368922341 /nfs/dbraw/zinc/92/23/41/1368922341.db2.gz FUYVAODCGTWSCV-IBGZPJMESA-N 2 0 345.531 3.322 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001197922988 1368924849 /nfs/dbraw/zinc/92/48/49/1368924849.db2.gz YGCJVEZJITXADW-IBGZPJMESA-N 2 0 345.531 3.241 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198244311 1368987635 /nfs/dbraw/zinc/98/76/35/1368987635.db2.gz WPRZFRWYYWVIDI-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186605966 1387985546 /nfs/dbraw/zinc/98/55/46/1387985546.db2.gz XJIJKFUWJRJKEX-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[NH+](CC2CCCCCC2)CC1)[NH+](CC)CC ZINC001113340985 1369358792 /nfs/dbraw/zinc/35/87/92/1369358792.db2.gz HFJYGNNBCNGVFA-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1)[NH+](CC)CC ZINC001113341052 1369358942 /nfs/dbraw/zinc/35/89/42/1369358942.db2.gz JBPFQHBJXKXHPE-ACBHZAAOSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200578133 1369393813 /nfs/dbraw/zinc/39/38/13/1369393813.db2.gz MOXIIMRYOZXZSB-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044177 1369470554 /nfs/dbraw/zinc/47/05/54/1369470554.db2.gz QVHJTZXFOWBPAY-RURPWVQCSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201043312 1369470721 /nfs/dbraw/zinc/47/07/21/1369470721.db2.gz BLLFSANFUDRXLJ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@H](C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1)n1ccnc1 ZINC001201182865 1369491384 /nfs/dbraw/zinc/49/13/84/1369491384.db2.gz OPOCPSFXZHGJNE-FAFZWHIHSA-N 2 0 346.519 3.097 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201400805 1369536693 /nfs/dbraw/zinc/53/66/93/1369536693.db2.gz VIONZQHQCPBJQL-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(OC(F)F)ccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201665431 1369600514 /nfs/dbraw/zinc/60/05/14/1369600514.db2.gz GDIYNBZGHGQLBW-UHFFFAOYSA-N 2 0 348.397 3.487 20 0 EGADRP COc1cccc(Cl)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667978 1369601223 /nfs/dbraw/zinc/60/12/23/1369601223.db2.gz OKHLDWUMASOUAJ-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(O)c(Cl)cc3F)cc[nH+]2)CC1 ZINC001201666176 1369602141 /nfs/dbraw/zinc/60/21/41/1369602141.db2.gz MAGCHUBJJRNSAH-UHFFFAOYSA-N 2 0 336.798 3.075 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001201802076 1369626616 /nfs/dbraw/zinc/62/66/16/1369626616.db2.gz ZNTGXYOYZADIIF-KRWDZBQOSA-N 2 0 345.531 3.031 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202764501 1369883056 /nfs/dbraw/zinc/88/30/56/1369883056.db2.gz NZKVVZCIHBKCFE-ZMBJWTFHSA-N 2 0 335.536 3.186 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001186981249 1388035433 /nfs/dbraw/zinc/03/54/33/1388035433.db2.gz LJDLKJYOGJAKOQ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001114403462 1369933729 /nfs/dbraw/zinc/93/37/29/1369933729.db2.gz SMNMEAKZZZYYND-ZGXWSNOMSA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2ccccc2C(C)C)CC1 ZINC001203010546 1369952452 /nfs/dbraw/zinc/95/24/52/1369952452.db2.gz RPHFOWIGTZGHIO-UHFFFAOYSA-N 2 0 345.531 3.232 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+]CCC3CCCC3)C23CCC3)CCC1 ZINC001203027531 1369959388 /nfs/dbraw/zinc/95/93/88/1369959388.db2.gz GGJVQGYSADMLFY-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203102632 1369984012 /nfs/dbraw/zinc/98/40/12/1369984012.db2.gz ICUZTQJGWGHZRL-IRXDYDNUSA-N 2 0 335.536 3.066 20 0 EGADRP c1nc2ccccn2c1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001203155143 1370002558 /nfs/dbraw/zinc/00/25/58/1370002558.db2.gz NOOYJWBOAVQFRV-UHFFFAOYSA-N 2 0 346.478 3.432 20 0 EGADRP c1coc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001203277287 1370057489 /nfs/dbraw/zinc/05/74/89/1370057489.db2.gz CSDIOOAZKVMPFH-UHFFFAOYSA-N 2 0 326.440 3.147 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203295245 1370067071 /nfs/dbraw/zinc/06/70/71/1370067071.db2.gz HTWGKNYLMDECHA-NRFANRHFSA-N 2 0 345.531 3.234 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001203312861 1370077551 /nfs/dbraw/zinc/07/75/51/1370077551.db2.gz JNUKYSMKCWZZEU-UHFFFAOYSA-N 2 0 337.552 3.435 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C12CCC2 ZINC001203356813 1370096519 /nfs/dbraw/zinc/09/65/19/1370096519.db2.gz BTPWYWDBKRTISD-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001203408261 1370114803 /nfs/dbraw/zinc/11/48/03/1370114803.db2.gz UQCZSMTVKSEZBA-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419784 1370118811 /nfs/dbraw/zinc/11/88/11/1370118811.db2.gz NKBDVGKTTBFULQ-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420937 1370118909 /nfs/dbraw/zinc/11/89/09/1370118909.db2.gz XZTXBRUCKQUBQN-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2)CC(C)(C)C ZINC001203426797 1370121037 /nfs/dbraw/zinc/12/10/37/1370121037.db2.gz QPTNJEMPGWSRPG-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001203443411 1370128726 /nfs/dbraw/zinc/12/87/26/1370128726.db2.gz UBZIOUPRYXBEAP-KRWDZBQOSA-N 2 0 331.504 3.060 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203523246 1370154388 /nfs/dbraw/zinc/15/43/88/1370154388.db2.gz POUCMGMPMINGGB-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203539570 1370161591 /nfs/dbraw/zinc/16/15/91/1370161591.db2.gz OLIZRZJCNCIKMI-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203640519 1370196717 /nfs/dbraw/zinc/19/67/17/1370196717.db2.gz CURIFRAZVSLGRD-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C)C2 ZINC001203700625 1370225509 /nfs/dbraw/zinc/22/55/09/1370225509.db2.gz GVWITKXVIANEGW-RTWAWAEBSA-N 2 0 328.500 3.175 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2 ZINC001203769966 1370257707 /nfs/dbraw/zinc/25/77/07/1370257707.db2.gz DETHNPRJLRFJFW-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccc(OC)c1 ZINC001203824945 1370280128 /nfs/dbraw/zinc/28/01/28/1370280128.db2.gz APWBKHPATJTWPJ-UHFFFAOYSA-N 2 0 335.536 3.181 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203825285 1370280619 /nfs/dbraw/zinc/28/06/19/1370280619.db2.gz SJYLIVGLLLAWQJ-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001203887952 1370299691 /nfs/dbraw/zinc/29/96/91/1370299691.db2.gz GAWLVMFPVQJGSD-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1)c1ccc(F)cc1 ZINC001203932891 1370320279 /nfs/dbraw/zinc/32/02/79/1370320279.db2.gz QLTCIIPXJAQZEF-LJQANCHMSA-N 2 0 349.494 3.198 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1 ZINC001204265002 1370425948 /nfs/dbraw/zinc/42/59/48/1370425948.db2.gz ZXMRMFDMJDFFNF-ICSRJNTNSA-N 2 0 332.488 3.018 20 0 EGADRP COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001204268260 1370426812 /nfs/dbraw/zinc/42/68/12/1370426812.db2.gz KFLXBHDAIXFKGW-CTNGQTDRSA-N 2 0 346.515 3.266 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CCCO3)CC2)cc1 ZINC001204268459 1370427253 /nfs/dbraw/zinc/42/72/53/1370427253.db2.gz LHSXHXWPYZTEMS-UHFFFAOYSA-N 2 0 332.488 3.162 20 0 EGADRP Cn1cc(CN2CCC([N@H+](C)C3CCOCC3)CC2)c2ccccc21 ZINC001204319781 1370442697 /nfs/dbraw/zinc/44/26/97/1370442697.db2.gz AXEJXSRFXPBTHJ-UHFFFAOYSA-N 2 0 341.499 3.254 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)CC1 ZINC001204523472 1370503003 /nfs/dbraw/zinc/50/30/03/1370503003.db2.gz IUNBVWPRTOMCJV-TWGQIWQCSA-N 2 0 327.516 3.049 20 0 EGADRP Cc1nn(C)cc1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204577689 1370521153 /nfs/dbraw/zinc/52/11/53/1370521153.db2.gz IEDJJPSWIOGSMB-UHFFFAOYSA-N 2 0 326.488 3.073 20 0 EGADRP Cc1ccc(C)c(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)c1 ZINC001204621927 1370532038 /nfs/dbraw/zinc/53/20/38/1370532038.db2.gz SKXHUGZTEAXORD-UHFFFAOYSA-N 2 0 341.524 3.333 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001115537014 1370534241 /nfs/dbraw/zinc/53/42/41/1370534241.db2.gz RVVHCPRBZHKWRK-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540513 1370537419 /nfs/dbraw/zinc/53/74/19/1370537419.db2.gz PAYWGQMAORBOJQ-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP COc1c(Cl)ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204734595 1370558316 /nfs/dbraw/zinc/55/83/16/1370558316.db2.gz ABFGNPCXNUNKCF-UHFFFAOYSA-N 2 0 326.843 3.453 20 0 EGADRP COc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC)cc1Cl ZINC001204742993 1370561797 /nfs/dbraw/zinc/56/17/97/1370561797.db2.gz WDHDHIWSUYRFMK-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563455 1370563205 /nfs/dbraw/zinc/56/32/05/1370563205.db2.gz VWOFXUYVRNABGG-SFHVURJKSA-N 2 0 337.552 3.460 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001115571717 1370573805 /nfs/dbraw/zinc/57/38/05/1370573805.db2.gz LYKBWYHLWIRVSY-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1)C1CC1 ZINC001115573639 1370576215 /nfs/dbraw/zinc/57/62/15/1370576215.db2.gz RYDXCIFLCWDBDP-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1)C1CC1 ZINC001115573707 1370576284 /nfs/dbraw/zinc/57/62/84/1370576284.db2.gz UOSWQQMQXZKNQI-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1)C1CCC1 ZINC001115574521 1370577709 /nfs/dbraw/zinc/57/77/09/1370577709.db2.gz ADSQUOYCIIGQPW-UHFFFAOYSA-N 2 0 343.515 3.080 20 0 EGADRP O=C1CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H]2CCCC[C@@H]12 ZINC001204847968 1370589434 /nfs/dbraw/zinc/58/94/34/1370589434.db2.gz ISXDRROPPDLVTH-RTBURBONSA-N 2 0 337.467 3.078 20 0 EGADRP CCC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCCCC1 ZINC001115608299 1370607033 /nfs/dbraw/zinc/60/70/33/1370607033.db2.gz GTQNDDVQAVGYHZ-UHFFFAOYSA-N 2 0 337.552 3.458 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648363 1370637172 /nfs/dbraw/zinc/63/71/72/1370637172.db2.gz MRTFLKGSHOLVMR-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648188 1370637295 /nfs/dbraw/zinc/63/72/95/1370637295.db2.gz DXLWIZQEISJURL-IBGZPJMESA-N 2 0 347.547 3.236 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001115648376 1370637387 /nfs/dbraw/zinc/63/73/87/1370637387.db2.gz NDFSXOPKPYJEPT-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661956 1370646442 /nfs/dbraw/zinc/64/64/42/1370646442.db2.gz WPPIQWOOFDKOMV-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)s2)cc1OC ZINC001205110304 1370652698 /nfs/dbraw/zinc/65/26/98/1370652698.db2.gz RFJMFLIUPNECRH-CQSZACIVSA-N 2 0 347.484 3.141 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692562 1370674045 /nfs/dbraw/zinc/67/40/45/1370674045.db2.gz VTFIHSULGADTQT-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692740 1370674162 /nfs/dbraw/zinc/67/41/62/1370674162.db2.gz ZXCMIERVONTLOA-DSQZMVHQSA-N 2 0 349.563 3.482 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2cc(N3CCCCC3)cc[nH+]2)cn1 ZINC001205211940 1370682887 /nfs/dbraw/zinc/68/28/87/1370682887.db2.gz KPZHBBGVTQVIMI-UHFFFAOYSA-N 2 0 340.471 3.464 20 0 EGADRP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)cn2)c1C ZINC001205248387 1370694870 /nfs/dbraw/zinc/69/48/70/1370694870.db2.gz OXOBGQNXIDAMLC-NRFANRHFSA-N 2 0 339.483 3.041 20 0 EGADRP C[C@@]1([NH3+])CCC[N@H+](Cc2c(-c3ccccc3)nc3n2CCS3)CC1 ZINC001205273293 1370703375 /nfs/dbraw/zinc/70/33/75/1370703375.db2.gz JSUVKDMLYZNQAC-LJQANCHMSA-N 2 0 342.512 3.359 20 0 EGADRP C[C@@H]1CC[N@H+](CCCc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC001205296294 1370710825 /nfs/dbraw/zinc/71/08/25/1370710825.db2.gz KVYBVBYFVDFRKG-UKRRQHHQSA-N 2 0 325.294 3.298 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115729671 1370711129 /nfs/dbraw/zinc/71/11/29/1370711129.db2.gz OWBVAGXXLBGZFP-KRWDZBQOSA-N 2 0 341.515 3.019 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205296314 1370711202 /nfs/dbraw/zinc/71/12/02/1370711202.db2.gz LVDMAWDEBBPUEF-FQEVSTJZSA-N 2 0 325.456 3.461 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115730875 1370713991 /nfs/dbraw/zinc/71/39/91/1370713991.db2.gz SVKXLVGCENBAMA-IEBWSBKVSA-N 2 0 347.547 3.093 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115730877 1370713999 /nfs/dbraw/zinc/71/39/99/1370713999.db2.gz SVKXLVGCENBAMA-PKOBYXMFSA-N 2 0 347.547 3.093 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccc3cc(Br)cnc32)C[C@@H]1C[NH3+] ZINC001205315388 1370718698 /nfs/dbraw/zinc/71/86/98/1370718698.db2.gz FMOQASZGIZRMDU-WFASDCNBSA-N 2 0 348.288 3.414 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)cc1 ZINC001187298771 1388091310 /nfs/dbraw/zinc/09/13/10/1388091310.db2.gz OHFMCLJDVDLSBL-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH2+]CC(C)C)CCCCC1)C(C)C ZINC001115776354 1370759617 /nfs/dbraw/zinc/75/96/17/1370759617.db2.gz NMYAPYDXFSXIKU-GOSISDBHSA-N 2 0 339.568 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001115778543 1370761479 /nfs/dbraw/zinc/76/14/79/1370761479.db2.gz FDEXGGPHNRSAJP-CEXWTWQISA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457721 1370761817 /nfs/dbraw/zinc/76/18/17/1370761817.db2.gz MLTOKOCBCNHEBS-SREVYHEPSA-N 2 0 335.536 3.045 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205520129 1370779528 /nfs/dbraw/zinc/77/95/28/1370779528.db2.gz WFCMHBUWVXZUJV-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cccc(C)c2)CCCCC1 ZINC001115806440 1370789827 /nfs/dbraw/zinc/78/98/27/1370789827.db2.gz WWPQJEMMXVHRNY-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205559874 1370790942 /nfs/dbraw/zinc/79/09/42/1370790942.db2.gz WIHFQKNUVYNHAK-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP CC(C)[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570431 1370794931 /nfs/dbraw/zinc/79/49/31/1370794931.db2.gz HROYKETZMQMRTD-OAQYLSRUSA-N 2 0 341.499 3.491 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205570757 1370795691 /nfs/dbraw/zinc/79/56/91/1370795691.db2.gz ODEFJMRPYMPMQI-CQSZACIVSA-N 2 0 338.320 3.377 20 0 EGADRP CCOC(OCC)c1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205578395 1370797879 /nfs/dbraw/zinc/79/78/79/1370797879.db2.gz AUKYONVXHJSYQJ-LJQANCHMSA-N 2 0 338.467 3.411 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001205581950 1370799593 /nfs/dbraw/zinc/79/95/93/1370799593.db2.gz VORUOCAGPRGBHU-CYBMUJFWSA-N 2 0 339.764 3.407 20 0 EGADRP c1cc(-c2ccc(N3CC[NH2+]CC3)cc2)ncc1C[NH+]1CCCCC1 ZINC001205600626 1370806579 /nfs/dbraw/zinc/80/65/79/1370806579.db2.gz QAJPIRQNKMCHQZ-UHFFFAOYSA-N 2 0 336.483 3.144 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC[C@@H]1C[NH3+] ZINC001205616553 1370811852 /nfs/dbraw/zinc/81/18/52/1370811852.db2.gz GDGQYKLTHFGTOL-NWDGAFQWSA-N 2 0 340.393 3.389 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1OC ZINC001205618686 1370813027 /nfs/dbraw/zinc/81/30/27/1370813027.db2.gz YEJQJQVQJZMNMS-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205626842 1370816478 /nfs/dbraw/zinc/81/64/78/1370816478.db2.gz JTUHROFWWKDFEL-OLZOCXBDSA-N 2 0 346.393 3.401 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205626841 1370816552 /nfs/dbraw/zinc/81/65/52/1370816552.db2.gz JTUHROFWWKDFEL-CHWSQXEVSA-N 2 0 346.393 3.401 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c[nH]c2c1 ZINC001205652667 1370829172 /nfs/dbraw/zinc/82/91/72/1370829172.db2.gz QNBKIGQQUUMRDN-GOEBONIOSA-N 2 0 343.471 3.151 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700736 1370846283 /nfs/dbraw/zinc/84/62/83/1370846283.db2.gz UWGLSLHCUNATTO-UHFFFAOYSA-N 2 0 342.487 3.212 20 0 EGADRP COc1cc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001205795183 1370873496 /nfs/dbraw/zinc/87/34/96/1370873496.db2.gz DGZVURKWVNOGJX-INIZCTEOSA-N 2 0 347.409 3.173 20 0 EGADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001205901788 1370904784 /nfs/dbraw/zinc/90/47/84/1370904784.db2.gz GGXQUMHPMGPKQY-RYUDHWBXSA-N 2 0 336.277 3.490 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[NH+]2CCC[C@@H]2C1 ZINC001116443404 1370913164 /nfs/dbraw/zinc/91/31/64/1370913164.db2.gz TWCZWFMHKNJFPF-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c2ccccc12 ZINC001205925844 1370913239 /nfs/dbraw/zinc/91/32/39/1370913239.db2.gz ZISWDPYFYBFNGK-HUUCEWRRSA-N 2 0 328.456 3.416 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n(C)n1 ZINC001205940980 1370919387 /nfs/dbraw/zinc/91/93/87/1370919387.db2.gz GVCZHCKWPRIHNW-PMACEKPBSA-N 2 0 338.499 3.073 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)CCC[C@H]1C[NH3+] ZINC001205994387 1370932824 /nfs/dbraw/zinc/93/28/24/1370932824.db2.gz LJVJNRRDEQDOKV-NEPJUHHUSA-N 2 0 329.257 3.395 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205995847 1370933044 /nfs/dbraw/zinc/93/30/44/1370933044.db2.gz RCKKAOGDMZRWAC-CRAIPNDOSA-N 2 0 326.488 3.296 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(Br)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205994026 1370933457 /nfs/dbraw/zinc/93/34/57/1370933457.db2.gz ITVUVBRJPMGAOT-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001206074733 1370954701 /nfs/dbraw/zinc/95/47/01/1370954701.db2.gz VJGCAUSNLLFGHU-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cc(Br)ncc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206317827 1371020121 /nfs/dbraw/zinc/02/01/21/1371020121.db2.gz JLQGTKIBOLXXHT-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206488680 1371071383 /nfs/dbraw/zinc/07/13/83/1371071383.db2.gz WZLVSAKYZJDUEI-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](Cc1cccc2ccoc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001117790213 1371085264 /nfs/dbraw/zinc/08/52/64/1371085264.db2.gz VRXSFXGNEHVWTD-IBGZPJMESA-N 2 0 327.472 3.033 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206548874 1371089730 /nfs/dbraw/zinc/08/97/30/1371089730.db2.gz RUEWYRNRNDKXHU-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](CCCCNC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206582939 1371100805 /nfs/dbraw/zinc/10/08/05/1371100805.db2.gz QLKAWBYRSZKOBI-MRXNPFEDSA-N 2 0 327.513 3.144 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615547 1371109969 /nfs/dbraw/zinc/10/99/69/1371109969.db2.gz IJFUPFUJBANDQF-LBPRGKRZSA-N 2 0 332.366 3.155 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](OCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001206718063 1371144749 /nfs/dbraw/zinc/14/47/49/1371144749.db2.gz MXTROEQEBNGYPV-PWRODBHTSA-N 2 0 328.500 3.400 20 0 EGADRP CCc1cccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC001118244192 1371153008 /nfs/dbraw/zinc/15/30/08/1371153008.db2.gz AUFYTDXQNSEHOW-UHFFFAOYSA-N 2 0 337.511 3.286 20 0 EGADRP OCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC001118494566 1371189723 /nfs/dbraw/zinc/18/97/23/1371189723.db2.gz ILLXIBVIXMOJCC-LJQANCHMSA-N 2 0 338.495 3.460 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206948217 1371241107 /nfs/dbraw/zinc/24/11/07/1371241107.db2.gz ZUCKNYBXALOAMP-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC1(C)CC(C[NH2+]CC2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001206950505 1371241955 /nfs/dbraw/zinc/24/19/55/1371241955.db2.gz VYEZILWHDBCEFW-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952300 1371242215 /nfs/dbraw/zinc/24/22/15/1371242215.db2.gz IVZCOPMPJGMQHP-SFFCAUCYSA-N 2 0 335.536 3.045 20 0 EGADRP COc1cncc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001206999320 1371263460 /nfs/dbraw/zinc/26/34/60/1371263460.db2.gz UUCRYZSNNJHVRU-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccccc1N1CCOCC1 ZINC001119450594 1371345612 /nfs/dbraw/zinc/34/56/12/1371345612.db2.gz KUPMGHUMVTZOAW-UHFFFAOYSA-N 2 0 345.531 3.221 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001207279211 1371348169 /nfs/dbraw/zinc/34/81/69/1371348169.db2.gz ISNGLFPVLRVCRT-LJQANCHMSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207288203 1371351642 /nfs/dbraw/zinc/35/16/42/1371351642.db2.gz JIXFKIXRCRBXNO-VQTJNVASSA-N 3 0 329.532 3.028 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CC1 ZINC001207397226 1371384191 /nfs/dbraw/zinc/38/41/91/1371384191.db2.gz GRCBPFZFSNYXOX-RTWAWAEBSA-N 2 0 343.515 3.042 20 0 EGADRP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH+](C)CC1 ZINC001207399784 1371384683 /nfs/dbraw/zinc/38/46/83/1371384683.db2.gz SIWWWZXUMQPBND-REPLKXPHSA-N 2 0 345.535 3.220 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207399866 1371384762 /nfs/dbraw/zinc/38/47/62/1371384762.db2.gz XOPHCWNVBQZUOP-VQTJNVASSA-N 2 0 344.499 3.140 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001207467678 1371404033 /nfs/dbraw/zinc/40/40/33/1371404033.db2.gz HHDFYZSZVKBYJG-RMVXJAJNSA-N 2 0 343.515 3.041 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207470369 1371404936 /nfs/dbraw/zinc/40/49/36/1371404936.db2.gz UPWRATJMKHVZJV-NJDAHSKKSA-N 2 0 328.500 3.257 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001207487063 1371411257 /nfs/dbraw/zinc/41/12/57/1371411257.db2.gz GMJXUIANYBKSLY-NRFANRHFSA-N 2 0 342.483 3.060 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551160 1371432034 /nfs/dbraw/zinc/43/20/34/1371432034.db2.gz WDKWAWBJZDOOSC-NSISKUIASA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CCN(CCCc2ccc(OC)cc2)CC1 ZINC001207582694 1371442687 /nfs/dbraw/zinc/44/26/87/1371442687.db2.gz PBSXLLHDISWPLO-FQEVSTJZSA-N 2 0 346.515 3.203 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001119989138 1371443437 /nfs/dbraw/zinc/44/34/37/1371443437.db2.gz HJMSJOYRLIDGAL-QGZVFWFLSA-N 2 0 341.515 3.019 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617090 1371453238 /nfs/dbraw/zinc/45/32/38/1371453238.db2.gz MPZOISDXZAPAEZ-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010070 1371453316 /nfs/dbraw/zinc/45/33/16/1371453316.db2.gz KRASCEROWDKSBR-VOFKWLDRSA-N 2 0 349.563 3.483 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010678 1371454285 /nfs/dbraw/zinc/45/42/85/1371454285.db2.gz UHTUTIKUWXCXRQ-WRFKIARRSA-N 2 0 335.536 3.093 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)c2c[nH+]ccc2N(C)C)CCCCC1 ZINC001120021674 1371458274 /nfs/dbraw/zinc/45/82/74/1371458274.db2.gz RDXYJPJTYXBYPK-UHFFFAOYSA-N 2 0 346.519 3.360 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001207749880 1371493042 /nfs/dbraw/zinc/49/30/42/1371493042.db2.gz FSSLNYMQEDLYLH-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120189732 1371503300 /nfs/dbraw/zinc/50/33/00/1371503300.db2.gz QBLOTIRSHNHXOQ-QZTJIDSGSA-N 2 0 335.536 3.234 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001120207797 1371504334 /nfs/dbraw/zinc/50/43/34/1371504334.db2.gz GHRFIJMLLNEBAW-IRXDYDNUSA-N 2 0 341.515 3.018 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014994 1371569472 /nfs/dbraw/zinc/56/94/72/1371569472.db2.gz VRBMJXRQLTWSTH-MGBKSAOESA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459997 1371584451 /nfs/dbraw/zinc/58/44/51/1371584451.db2.gz OMUKOEDPZPBNBZ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CCCn1cccn1)CC2 ZINC001208077336 1371588874 /nfs/dbraw/zinc/58/88/74/1371588874.db2.gz ZGAKAXJPQKXKCE-IBGZPJMESA-N 2 0 342.487 3.243 20 0 EGADRP COC(=O)c1ccc(C2CC[NH+](CC3(C)CC[NH+](C)CC3)CC2)cc1 ZINC001208112881 1371598913 /nfs/dbraw/zinc/59/89/13/1371598913.db2.gz BSPAXYMBNNILRN-UHFFFAOYSA-N 2 0 344.499 3.385 20 0 EGADRP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208112138 1371598936 /nfs/dbraw/zinc/59/89/36/1371598936.db2.gz RMYDKBXJKMGAPV-QGZVFWFLSA-N 2 0 332.488 3.172 20 0 EGADRP COc1cc(OC2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)ccn1 ZINC001208188660 1371630127 /nfs/dbraw/zinc/63/01/27/1371630127.db2.gz MRKVLNVEDMNTMC-UHFFFAOYSA-N 2 0 347.503 3.055 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258168 1371685147 /nfs/dbraw/zinc/68/51/47/1371685147.db2.gz BVUCXJHTVYUGSU-GOEBONIOSA-N 2 0 337.533 3.050 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1)c1ccccc1 ZINC001208447019 1371769054 /nfs/dbraw/zinc/76/90/54/1371769054.db2.gz FWPRFOHTYQPNIH-RBUKOAKNSA-N 2 0 345.531 3.449 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471163 1371780284 /nfs/dbraw/zinc/78/02/84/1371780284.db2.gz PCMRZAFDQUVVCE-MRXNPFEDSA-N 2 0 328.460 3.027 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475854 1371782231 /nfs/dbraw/zinc/78/22/31/1371782231.db2.gz ZWEPPPYOYKFVTE-ASIGSXEYSA-N 2 0 335.536 3.044 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001326346231 1388161377 /nfs/dbraw/zinc/16/13/77/1388161377.db2.gz ABWDCECWLRGCGV-IBGZPJMESA-N 2 0 343.515 3.062 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001208592935 1371832583 /nfs/dbraw/zinc/83/25/83/1371832583.db2.gz MMEWEDFYISRTRB-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001208597691 1371835120 /nfs/dbraw/zinc/83/51/20/1371835120.db2.gz KUWMYFUFQSMHGM-IYBDPMFKSA-N 2 0 339.524 3.048 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001208599828 1371836293 /nfs/dbraw/zinc/83/62/93/1371836293.db2.gz CMJJRLJTKHATIA-JOCHJYFZSA-N 2 0 341.543 3.459 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208748267 1371882855 /nfs/dbraw/zinc/88/28/55/1371882855.db2.gz HGHBYBXELORQBE-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208749732 1371883340 /nfs/dbraw/zinc/88/33/40/1371883340.db2.gz VSPOUPZDKHDBAP-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP Fc1ccc(CCC[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001208764869 1371887939 /nfs/dbraw/zinc/88/79/39/1371887939.db2.gz DWVWHQMCIBKTDP-BGYRXZFFSA-N 2 0 339.458 3.217 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001208869158 1371925555 /nfs/dbraw/zinc/92/55/55/1371925555.db2.gz CCEWQRCPAPMUQU-UHFFFAOYSA-N 2 0 332.488 3.214 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2)[NH+](C)C ZINC001121301816 1371928683 /nfs/dbraw/zinc/92/86/83/1371928683.db2.gz CEZRXAXILFHMRJ-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208878462 1371929627 /nfs/dbraw/zinc/92/96/27/1371929627.db2.gz HQAJVYAZJNMFRX-IEBWSBKVSA-N 2 0 346.471 3.028 20 0 EGADRP CC1(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CCCCC1 ZINC001208895953 1371935923 /nfs/dbraw/zinc/93/59/23/1371935923.db2.gz AUDALNVRBRZKQV-UHFFFAOYSA-N 2 0 330.520 3.307 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347941 1371945946 /nfs/dbraw/zinc/94/59/46/1371945946.db2.gz QDAZFBIGOBTTML-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+]1CCC(COc2ccc(F)cc2NC2=CC[N@H+](C)CC2)CC1 ZINC001208930147 1371949858 /nfs/dbraw/zinc/94/98/58/1371949858.db2.gz ITUVNHXLTFNHCZ-UHFFFAOYSA-N 2 0 333.451 3.178 20 0 EGADRP OC[C@@]1(F)CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208931522 1371950438 /nfs/dbraw/zinc/95/04/38/1371950438.db2.gz KYYDFEKLRCKZDM-VQTJNVASSA-N 2 0 334.479 3.085 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC001208946834 1371959337 /nfs/dbraw/zinc/95/93/37/1371959337.db2.gz IZNUZTYKBVLQCK-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953497 1371960293 /nfs/dbraw/zinc/96/02/93/1371960293.db2.gz PXIDTPOZTDCOFH-TZIWHRDSSA-N 2 0 337.467 3.057 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCC(C)(C)C)C3)CC[N@@H+]1C ZINC001121628461 1372030303 /nfs/dbraw/zinc/03/03/03/1372030303.db2.gz NIDXCAVLWUZRSW-NVNACKGYSA-N 2 0 349.563 3.170 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](CCCCCc2ccccc2)CC1 ZINC001209228050 1372044085 /nfs/dbraw/zinc/04/40/85/1372044085.db2.gz SOPZCLMWDYIQFD-UHFFFAOYSA-N 2 0 331.548 3.359 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001209250723 1372050742 /nfs/dbraw/zinc/05/07/42/1372050742.db2.gz IQUJDESRDMMIII-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001209322915 1372068423 /nfs/dbraw/zinc/06/84/23/1372068423.db2.gz BOOYEJLEZGOKTA-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761482 1372073259 /nfs/dbraw/zinc/07/32/59/1372073259.db2.gz MLOCQMCDLZRPOQ-NMSNRSKUSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)CC1 ZINC001209363571 1372077556 /nfs/dbraw/zinc/07/75/56/1372077556.db2.gz JZANRCHSSQOIRW-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209392285 1372088219 /nfs/dbraw/zinc/08/82/19/1372088219.db2.gz YOXAFBWYMJXNIR-RNEMNMTCSA-N 2 0 328.500 3.254 20 0 EGADRP C[C@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209414381 1372099551 /nfs/dbraw/zinc/09/95/51/1372099551.db2.gz LVQOJIFOTUWLTQ-FIRPJDEBSA-N 2 0 332.532 3.103 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477961 1372117386 /nfs/dbraw/zinc/11/73/86/1372117386.db2.gz NEOUNYIEPNYFQF-LDBCMITESA-N 2 0 343.515 3.155 20 0 EGADRP Cn1nc2ccccc2c1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209540109 1372132080 /nfs/dbraw/zinc/13/20/80/1372132080.db2.gz POTARNQNYNEYCF-DLBZAZTESA-N 2 0 326.488 3.412 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001209588216 1372144802 /nfs/dbraw/zinc/14/48/02/1372144802.db2.gz FIJVDJPTBFFJLV-UXHICEINSA-N 2 0 345.531 3.196 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001209642177 1372159962 /nfs/dbraw/zinc/15/99/62/1372159962.db2.gz CITUJQMHYZNDSA-QWFCFKBJSA-N 2 0 345.531 3.143 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651399 1372161478 /nfs/dbraw/zinc/16/14/78/1372161478.db2.gz SGKBTYYRBHZHFV-PXNSSMCTSA-N 2 0 345.531 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122057155 1372164661 /nfs/dbraw/zinc/16/46/61/1372164661.db2.gz WGZYTHHASOSOKU-OZSJIWHNSA-N 2 0 347.547 3.092 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)CC(C)(C)C ZINC001209688540 1372170350 /nfs/dbraw/zinc/17/03/50/1372170350.db2.gz DBLVQJOTIWUQID-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209691810 1372171549 /nfs/dbraw/zinc/17/15/49/1372171549.db2.gz YVGQVORHRPNIPK-BLGFXRMMSA-N 2 0 337.552 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2 ZINC001122106530 1372175659 /nfs/dbraw/zinc/17/56/59/1372175659.db2.gz LIBQTMJJAGXZJL-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001122137401 1372184576 /nfs/dbraw/zinc/18/45/76/1372184576.db2.gz PEHHBTUDWIIAOU-GOSISDBHSA-N 2 0 335.451 3.141 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001122231824 1372207264 /nfs/dbraw/zinc/20/72/64/1372207264.db2.gz ZMDUJACLNCYLBF-GBKXIRDNSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209941203 1372237701 /nfs/dbraw/zinc/23/77/01/1372237701.db2.gz TXOFPIUHHKQYPY-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001209939813 1372237706 /nfs/dbraw/zinc/23/77/06/1372237706.db2.gz ITZLAOWPOZDVCP-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209952387 1372240408 /nfs/dbraw/zinc/24/04/08/1372240408.db2.gz QIVJXJHDVYYCET-ZMBJWTFHSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001122433961 1372247186 /nfs/dbraw/zinc/24/71/86/1372247186.db2.gz XSXLEDRJYDGQEL-KRWDZBQOSA-N 2 0 341.430 3.135 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001210181062 1372290095 /nfs/dbraw/zinc/29/00/95/1372290095.db2.gz AYOUGIQJRPFJMJ-ZWKOTPCHSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921658 1388190447 /nfs/dbraw/zinc/19/04/47/1388190447.db2.gz OOAKGLVSHASLFQ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc2scnc21 ZINC001210267519 1372310081 /nfs/dbraw/zinc/31/00/81/1372310081.db2.gz HERQZFJIICPCFG-UHFFFAOYSA-N 2 0 325.441 3.153 20 0 EGADRP CC(C)Oc1ccc(F)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271293 1372312148 /nfs/dbraw/zinc/31/21/48/1372312148.db2.gz LVXSKUKDSJJOPZ-UHFFFAOYSA-N 2 0 330.407 3.161 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1F ZINC001210743231 1372417608 /nfs/dbraw/zinc/41/76/08/1372417608.db2.gz HGIBAUFZTQNHME-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210751444 1372419330 /nfs/dbraw/zinc/41/93/30/1372419330.db2.gz YNPJIXXCAXVDDZ-CRLZUZNUSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210772872 1372424203 /nfs/dbraw/zinc/42/42/03/1372424203.db2.gz CBDPDEMALZKPBT-QRGKHIHXSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001210774322 1372424372 /nfs/dbraw/zinc/42/43/72/1372424372.db2.gz RUJALXNCEJHUHA-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210797873 1372428804 /nfs/dbraw/zinc/42/88/04/1372428804.db2.gz XOAAINXHNDZDQV-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210810593 1372430794 /nfs/dbraw/zinc/43/07/94/1372430794.db2.gz AIPHXQJIZONQJQ-ACGJQVIASA-N 2 0 343.515 3.012 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001211137352 1372489230 /nfs/dbraw/zinc/48/92/30/1372489230.db2.gz RGNFWUYAMZVHDX-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)c1 ZINC001211242081 1372510933 /nfs/dbraw/zinc/51/09/33/1372510933.db2.gz YZFAPGULXIQRCH-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211256514 1372513314 /nfs/dbraw/zinc/51/33/14/1372513314.db2.gz HXQHTUUSRXWNHN-MGBKSAOESA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001211262753 1372515080 /nfs/dbraw/zinc/51/50/80/1372515080.db2.gz YRZKQWCTJVPQLB-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP COc1c[nH+]ccc1Nc1cccc(F)c1OCC1CC[NH+](C)CC1 ZINC001211264240 1372515730 /nfs/dbraw/zinc/51/57/30/1372515730.db2.gz AZZFOAOLSDNYIX-UHFFFAOYSA-N 2 0 345.418 3.115 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374583 1372543171 /nfs/dbraw/zinc/54/31/71/1372543171.db2.gz JORVPMWBPVQGPR-FBYXPACISA-N 2 0 349.563 3.290 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc(Cl)nc(Cl)c2)CC1 ZINC001212094414 1372656764 /nfs/dbraw/zinc/65/67/64/1372656764.db2.gz MLFSMCITROSRHA-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001326565858 1388241361 /nfs/dbraw/zinc/24/13/61/1388241361.db2.gz DDZYFYXSRJCSFQ-IRJFHVNHSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001214634107 1373092806 /nfs/dbraw/zinc/09/28/06/1373092806.db2.gz BREZIMCFRMHKBW-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001127327560 1373115862 /nfs/dbraw/zinc/11/58/62/1373115862.db2.gz POMWOZFLMCFVLQ-SFHVURJKSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214780214 1373117892 /nfs/dbraw/zinc/11/78/92/1373117892.db2.gz PONULPJAKVCGDO-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001188118046 1388244489 /nfs/dbraw/zinc/24/44/89/1388244489.db2.gz DQIGMXYSYFAENH-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001188118300 1388244669 /nfs/dbraw/zinc/24/46/69/1388244669.db2.gz SMOSKXFSAATBGJ-LIXSYLKWSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001188139319 1388247853 /nfs/dbraw/zinc/24/78/53/1388247853.db2.gz LMBCQWBDBZTBRN-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139571 1388248218 /nfs/dbraw/zinc/24/82/18/1388248218.db2.gz PJTBWTQUPFDORD-LXORQPIJSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001215569125 1373213679 /nfs/dbraw/zinc/21/36/79/1373213679.db2.gz VOVLHFNCMWNGTD-IEBWSBKVSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001128552176 1373289645 /nfs/dbraw/zinc/28/96/45/1373289645.db2.gz LLJYELAYAQOGSD-UHFFFAOYSA-N 2 0 337.533 3.100 20 0 EGADRP Cc1c(CO)ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Cl ZINC001216329709 1373300742 /nfs/dbraw/zinc/30/07/42/1373300742.db2.gz RCXSDKVNVKPZND-UHFFFAOYSA-N 2 0 346.862 3.031 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846759 1373351062 /nfs/dbraw/zinc/35/10/62/1373351062.db2.gz XUQDLADWOGLSDE-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001129423870 1373382683 /nfs/dbraw/zinc/38/26/83/1373382683.db2.gz XXXRYQBRBOGTAR-AZUAARDMSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001129442488 1373384183 /nfs/dbraw/zinc/38/41/83/1373384183.db2.gz BAUHTMGFCQRFSC-DNVCBOLYSA-N 2 0 345.531 3.091 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1)[NH+](C)C ZINC001130203739 1373474067 /nfs/dbraw/zinc/47/40/67/1373474067.db2.gz VVSVCUIDRDRABB-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001130622542 1373571566 /nfs/dbraw/zinc/57/15/66/1373571566.db2.gz OBMVYBKLZGYAFG-LJQANCHMSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H]([C@H](Oc1n[nH]c2c1CCC[NH2+]C2)c1ccccc1)[NH+]1CCCC1 ZINC001218189558 1373574650 /nfs/dbraw/zinc/57/46/50/1373574650.db2.gz WKJTXSABWCXHKJ-KXBFYZLASA-N 2 0 340.471 3.050 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)c1ccc(F)cc1 ZINC001130709288 1373583148 /nfs/dbraw/zinc/58/31/48/1373583148.db2.gz ZKVNUGKCQHERED-RBUKOAKNSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@]1(c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)c2)CCCC[N@H+](C)C1 ZINC001218331022 1373598364 /nfs/dbraw/zinc/59/83/64/1373598364.db2.gz PIQXGRBFPITBFM-RCOXNQKVSA-N 2 0 328.500 3.437 20 0 EGADRP [NH3+][C@@H](C(=O)Nc1ccc2c(c1)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC001218937453 1373668223 /nfs/dbraw/zinc/66/82/23/1373668223.db2.gz XESXQGWJRYLUNX-OAQYLSRUSA-N 2 0 345.446 3.167 20 0 EGADRP Cc1nc2cc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c(C)cc2s1 ZINC001219105847 1373687623 /nfs/dbraw/zinc/68/76/23/1373687623.db2.gz XCGXCULKOVNHGX-AWEZNQCLSA-N 2 0 348.516 3.347 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1CCC(c2ccccc2)CC1 ZINC001219950087 1373741337 /nfs/dbraw/zinc/74/13/37/1373741337.db2.gz HHTZAXHPBKDHRV-MHJFOBGBSA-N 2 0 345.531 3.325 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC001131821754 1373821726 /nfs/dbraw/zinc/82/17/26/1373821726.db2.gz FGRHEALQQSZXEV-INIZCTEOSA-N 2 0 349.494 3.247 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001188346472 1388294196 /nfs/dbraw/zinc/29/41/96/1388294196.db2.gz QAWMOFMUTCDYSO-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740105 1388295519 /nfs/dbraw/zinc/29/55/19/1388295519.db2.gz DNNGBQVGQKNWQC-UXHICEINSA-N 2 0 329.532 3.361 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001326760329 1388301505 /nfs/dbraw/zinc/30/15/05/1388301505.db2.gz PPPUEWKJSYBIDR-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP FCC[NH+]1CCC(OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224830498 1375080367 /nfs/dbraw/zinc/08/03/67/1375080367.db2.gz OMEKGLGWHAHDOU-IBGZPJMESA-N 2 0 334.479 3.349 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001225087543 1375092267 /nfs/dbraw/zinc/09/22/67/1375092267.db2.gz HYIBMDLNQYAKTB-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCc2ncc[nH]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132024890 1375104526 /nfs/dbraw/zinc/10/45/26/1375104526.db2.gz JPAFASGLPWKJRK-SJLPKXTDSA-N 2 0 344.503 3.202 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CCCCCC1 ZINC001132105554 1375149740 /nfs/dbraw/zinc/14/97/40/1375149740.db2.gz IUJNHYFDFVCGTM-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132152858 1375172377 /nfs/dbraw/zinc/17/23/77/1375172377.db2.gz JRHHQNFQISSIDI-MJGOQNOKSA-N 2 0 345.531 3.194 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132153139 1375172526 /nfs/dbraw/zinc/17/25/26/1375172526.db2.gz NRIJMKALRWNPOF-WBVHZDCISA-N 2 0 337.552 3.122 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212362 1375212717 /nfs/dbraw/zinc/21/27/17/1375212717.db2.gz XFJDQYQDOQBGAG-MSOLQXFVSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214329 1375214090 /nfs/dbraw/zinc/21/40/90/1375214090.db2.gz FTMDPIOBABKKEB-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1C/C=C/c1ccccc1 ZINC001132265560 1375254298 /nfs/dbraw/zinc/25/42/98/1375254298.db2.gz OLOQVTKCFFHRIJ-CNLJBLCWSA-N 2 0 343.515 3.011 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001226613513 1375292700 /nfs/dbraw/zinc/29/27/00/1375292700.db2.gz JTOMTKXXLYJTPL-AXTJNSDUSA-N 2 0 335.536 3.234 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132376390 1375339709 /nfs/dbraw/zinc/33/97/09/1375339709.db2.gz MJVGISDMEHFHLL-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001226890092 1375352597 /nfs/dbraw/zinc/35/25/97/1375352597.db2.gz HWLHUQULSXYWPM-KZNAEPCWSA-N 2 0 349.544 3.140 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001226889736 1375352942 /nfs/dbraw/zinc/35/29/42/1375352942.db2.gz BJEUDPLOSKIQKY-VAMGGRTRSA-N 2 0 343.515 3.078 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132435017 1375379482 /nfs/dbraw/zinc/37/94/82/1375379482.db2.gz AHKNKECNPQXTHH-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227303048 1375418020 /nfs/dbraw/zinc/41/80/20/1375418020.db2.gz SUFFMENBGQXVGM-RTBURBONSA-N 2 0 342.487 3.401 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001132492100 1375423908 /nfs/dbraw/zinc/42/39/08/1375423908.db2.gz CEAMGIOCSZEPDH-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525662 1375441640 /nfs/dbraw/zinc/44/16/40/1375441640.db2.gz TVCGAQMTHVXPDL-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703416 1375463233 /nfs/dbraw/zinc/46/32/33/1375463233.db2.gz HQVXIUWAJVVLEF-QRVBRYPASA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227877429 1375485520 /nfs/dbraw/zinc/48/55/20/1375485520.db2.gz ROQJSSABHQAQMC-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C[NH+]2CCC(NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)cs1 ZINC001227877087 1375486056 /nfs/dbraw/zinc/48/60/56/1375486056.db2.gz NNVNCRLFOLORQV-SFHVURJKSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001228053891 1375512604 /nfs/dbraw/zinc/51/26/04/1375512604.db2.gz KQTHKTAAXIEOOO-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001228169001 1375523198 /nfs/dbraw/zinc/52/31/98/1375523198.db2.gz QHSUIFFEUOSULL-PLNGDYQASA-N 2 0 340.471 3.275 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001228261409 1375536360 /nfs/dbraw/zinc/53/63/60/1375536360.db2.gz KNTPRBQOPPUBSX-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001228266517 1375537404 /nfs/dbraw/zinc/53/74/04/1375537404.db2.gz VLCQZPMNHHWCJR-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001228377019 1375559555 /nfs/dbraw/zinc/55/95/55/1375559555.db2.gz KLNGDKPVXQEQTM-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001228377003 1375559826 /nfs/dbraw/zinc/55/98/26/1375559826.db2.gz JWKMOHZWXLPEPS-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001228444488 1375574354 /nfs/dbraw/zinc/57/43/54/1375574354.db2.gz AQRJATUTBXBZLP-KZNAEPCWSA-N 2 0 339.568 3.416 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132823254 1375584341 /nfs/dbraw/zinc/58/43/41/1375584341.db2.gz BTCULEYOSOMPAB-OALUTQOASA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001228661416 1375631163 /nfs/dbraw/zinc/63/11/63/1375631163.db2.gz SOMASDWKXDOPMV-QRVBRYPASA-N 2 0 335.536 3.234 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132937676 1375657718 /nfs/dbraw/zinc/65/77/18/1375657718.db2.gz NBVIBTXYALENAW-WBVHZDCISA-N 2 0 342.487 3.131 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001228931910 1375719796 /nfs/dbraw/zinc/71/97/96/1375719796.db2.gz GGDGMGSQTDRWEW-BGEOSOQGSA-N 2 0 349.563 3.482 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133039940 1375730832 /nfs/dbraw/zinc/73/08/32/1375730832.db2.gz XYLUTSAILDPGKC-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133039941 1375732388 /nfs/dbraw/zinc/73/23/88/1375732388.db2.gz XYLUTSAILDPGKC-OXUXSNCKSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001133073897 1375760993 /nfs/dbraw/zinc/76/09/93/1375760993.db2.gz XUEANOXCDNTXMU-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133122981 1375787486 /nfs/dbraw/zinc/78/74/86/1375787486.db2.gz WYNJFWHJNHVXJC-OXUXSNCKSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133191702 1375833115 /nfs/dbraw/zinc/83/31/15/1375833115.db2.gz SBFRIZPBLKXVES-NDUHVBCRSA-N 2 0 337.552 3.149 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188895163 1388403713 /nfs/dbraw/zinc/40/37/13/1388403713.db2.gz GHSXGDVICSWCHT-SLFFLAALSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001229458269 1375839413 /nfs/dbraw/zinc/83/94/13/1375839413.db2.gz GYZBFTCAXBYMEG-RTBURBONSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213153 1375845351 /nfs/dbraw/zinc/84/53/51/1375845351.db2.gz JHMWTHYJEZDHRP-AZUAARDMSA-N 2 0 349.563 3.147 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133252986 1375871038 /nfs/dbraw/zinc/87/10/38/1375871038.db2.gz AMFXNUPOTGGTBH-PKOBYXMFSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001133333363 1375928322 /nfs/dbraw/zinc/92/83/22/1375928322.db2.gz GCMOUVOBIGFZGZ-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133341829 1375932856 /nfs/dbraw/zinc/93/28/56/1375932856.db2.gz KRPVXXYHKNDCNE-HKUYNNGSSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001230286770 1375984712 /nfs/dbraw/zinc/98/47/12/1375984712.db2.gz STBNEIJPXKVXOK-GUDVDZBRSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230342220 1376004966 /nfs/dbraw/zinc/00/49/66/1376004966.db2.gz ZWBTXECADVQAHJ-KZNAEPCWSA-N 2 0 341.515 3.018 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001230341452 1376005078 /nfs/dbraw/zinc/00/50/78/1376005078.db2.gz JCFFEXQWMRCAPN-NTFDOXNWSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC2CCCC2)CC1 ZINC001230617542 1376103207 /nfs/dbraw/zinc/10/32/07/1376103207.db2.gz CMQIWRANAPQTTF-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631033 1376108645 /nfs/dbraw/zinc/10/86/45/1376108645.db2.gz WZBJRWRCEHVVJN-HCZHMGAMSA-N 2 0 349.563 3.386 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)c1ccc(Cl)cc1 ZINC001133917489 1376264527 /nfs/dbraw/zinc/26/45/27/1376264527.db2.gz AEFOCZFIFKHDGQ-AWEZNQCLSA-N 2 0 339.911 3.085 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872967 1376333600 /nfs/dbraw/zinc/33/36/00/1376333600.db2.gz VHHQAYHXVSCZKT-FQEVSTJZSA-N 2 0 329.488 3.321 20 0 EGADRP FC(F)(F)c1cnc(Cl)cc1C[N@H+]1CCc2nccn2CC1 ZINC001231935185 1376356406 /nfs/dbraw/zinc/35/64/06/1376356406.db2.gz TUQNZDLEBJIYGA-UHFFFAOYSA-N 2 0 330.741 3.009 20 0 EGADRP Cc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc(C)n1 ZINC001231995447 1376374945 /nfs/dbraw/zinc/37/49/45/1376374945.db2.gz LZWOYGGAFPBVLK-UHFFFAOYSA-N 2 0 331.504 3.023 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001232147110 1376409331 /nfs/dbraw/zinc/40/93/31/1376409331.db2.gz IZAKYTCNVCZQQS-UHFFFAOYSA-N 3 0 347.522 3.441 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC001327207346 1388443378 /nfs/dbraw/zinc/44/33/78/1388443378.db2.gz XSTLLHWTXJISIM-OXJNMPFZSA-N 2 0 329.488 3.389 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001327212537 1388445000 /nfs/dbraw/zinc/44/50/00/1388445000.db2.gz HEBKDRRDYFHCAF-GOSISDBHSA-N 2 0 345.531 3.321 20 0 EGADRP CCOC(=O)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC001232596762 1376487086 /nfs/dbraw/zinc/48/70/86/1376487086.db2.gz WZIXTLXJPGHJHE-UHFFFAOYSA-N 2 0 338.879 3.290 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001327213731 1388447158 /nfs/dbraw/zinc/44/71/58/1388447158.db2.gz VGTFMEZSEGZXBP-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134518039 1376574105 /nfs/dbraw/zinc/57/41/05/1376574105.db2.gz AAHAWSPUCGQHEF-HUUCEWRRSA-N 2 0 339.549 3.486 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CCCC1CCCC1 ZINC001134584705 1376608602 /nfs/dbraw/zinc/60/86/02/1376608602.db2.gz WGHYDIMFWBREJX-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728919 1376680879 /nfs/dbraw/zinc/68/08/79/1376680879.db2.gz DDTWQEGYYMEBNN-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001134773073 1376712064 /nfs/dbraw/zinc/71/20/64/1376712064.db2.gz KNBWCFMPQJRNEI-MSOLQXFVSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001134773137 1376713226 /nfs/dbraw/zinc/71/32/26/1376713226.db2.gz LSHCMHADIJVRGC-DLBZAZTESA-N 2 0 333.520 3.098 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001134774294 1376714070 /nfs/dbraw/zinc/71/40/70/1376714070.db2.gz XFOPCVXUXXKFFV-SJORKVTESA-N 2 0 333.520 3.098 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001189110220 1388459919 /nfs/dbraw/zinc/45/99/19/1388459919.db2.gz NIPQGDOZEMAFAE-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134822584 1376743084 /nfs/dbraw/zinc/74/30/84/1376743084.db2.gz YLBPSKYBFRZJPB-LSDHHAIUSA-N 2 0 330.476 3.319 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134889307 1376769369 /nfs/dbraw/zinc/76/93/69/1376769369.db2.gz SEKITVXGLBNNIY-QDNWOOLPSA-N 2 0 328.460 3.177 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892886 1376772572 /nfs/dbraw/zinc/77/25/72/1376772572.db2.gz QLROYQZPXGEJFH-HZPDHXFCSA-N 2 0 342.487 3.401 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346670 1376815062 /nfs/dbraw/zinc/81/50/62/1376815062.db2.gz ZZQPMBICLJYMJS-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1)[NH2+]Cc1ccsc1 ZINC001134994000 1376832168 /nfs/dbraw/zinc/83/21/68/1376832168.db2.gz NRGLBPKJWIZALV-KGLIPLIRSA-N 2 0 342.468 3.083 20 0 EGADRP Fc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235035168 1376832991 /nfs/dbraw/zinc/83/29/91/1376832991.db2.gz CDDLKBLLFXHONL-TZIWHRDSSA-N 2 0 340.442 3.303 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C4C[NH2+]C4)C3)s2)cc1 ZINC001235338727 1376868184 /nfs/dbraw/zinc/86/81/84/1376868184.db2.gz CEANDNGQVPNQMA-HNNXBMFYSA-N 2 0 328.481 3.465 20 0 EGADRP CC[N@H+](Cc1ccc(OC)c2ccc(OC)cc12)C1CC[NH2+]CC1 ZINC001235765297 1376891357 /nfs/dbraw/zinc/89/13/57/1376891357.db2.gz YVLTWNGPLBZIDX-UHFFFAOYSA-N 2 0 328.456 3.431 20 0 EGADRP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884117 1376910113 /nfs/dbraw/zinc/91/01/13/1376910113.db2.gz VGFAJIRCHTWRSV-CRAIPNDOSA-N 2 0 330.472 3.058 20 0 EGADRP COc1cc(OC)c(C[N@H+](C)C2(C)CC[NH2+]CC2)c2ccccc12 ZINC001236228536 1376942724 /nfs/dbraw/zinc/94/27/24/1376942724.db2.gz VWXUQPJLOBVTFB-UHFFFAOYSA-N 2 0 328.456 3.431 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181263 1376952936 /nfs/dbraw/zinc/95/29/36/1376952936.db2.gz NGDIAQUULKEBDJ-IRXDYDNUSA-N 2 0 335.536 3.234 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001135179916 1376953017 /nfs/dbraw/zinc/95/30/17/1376953017.db2.gz BQJROTFIOHZJAL-QZTJIDSGSA-N 2 0 345.531 3.242 20 0 EGADRP CCC[N@@H+](Cc1[nH]nc2cc(C(F)(F)F)ccc21)C[C@@H]1CC[NH2+]C1 ZINC001236843965 1376966133 /nfs/dbraw/zinc/96/61/33/1376966133.db2.gz ODNMKRWAKLDTTC-GFCCVEGCSA-N 2 0 340.393 3.403 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299333 1377027076 /nfs/dbraw/zinc/02/70/76/1377027076.db2.gz WEMRHPLJPCOEJK-IRXDYDNUSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCC[NH+](C)C ZINC001135314899 1377033786 /nfs/dbraw/zinc/03/37/86/1377033786.db2.gz IQUZOSAEVMFHJA-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP Cc1cccc(CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135314738 1377033866 /nfs/dbraw/zinc/03/38/66/1377033866.db2.gz GGWAIRGIOBHKJK-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001135317542 1377035227 /nfs/dbraw/zinc/03/52/27/1377035227.db2.gz YZHRHLRLEAFNDZ-RTBURBONSA-N 2 0 347.547 3.327 20 0 EGADRP Clc1cccc(Cl)c1CC[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246158155 1377050402 /nfs/dbraw/zinc/05/04/02/1377050402.db2.gz HLHJORXOLUAQFV-UHFFFAOYSA-N 2 0 343.298 3.427 20 0 EGADRP C[C@@H]1C[C@H]([N@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246292179 1377051255 /nfs/dbraw/zinc/05/12/55/1377051255.db2.gz UUEARIBVXOPXGG-TVLUASMKSA-N 3 0 327.516 3.255 20 0 EGADRP CCOC(=O)C[C@@H]([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001246293509 1377051270 /nfs/dbraw/zinc/05/12/70/1377051270.db2.gz RYIHELCPGJOJPF-QZTJIDSGSA-N 2 0 330.472 3.193 20 0 EGADRP C[C@H]1C[C@@H]([N@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246291728 1377051313 /nfs/dbraw/zinc/05/13/13/1377051313.db2.gz UUEARIBVXOPXGG-MEZGBDMJSA-N 3 0 327.516 3.255 20 0 EGADRP Fc1ccccc1CC1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC001246380091 1377051522 /nfs/dbraw/zinc/05/15/22/1377051522.db2.gz DFWZDPRZYAWBBX-UHFFFAOYSA-N 3 0 345.506 3.002 20 0 EGADRP Fc1ccccc1CC1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001246380495 1377051673 /nfs/dbraw/zinc/05/16/73/1377051673.db2.gz HPUOUCWDBRIEOT-SFHVURJKSA-N 3 0 345.506 3.002 20 0 EGADRP Fc1cccc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246380859 1377051681 /nfs/dbraw/zinc/05/16/81/1377051681.db2.gz YTENLKOMPGDKHI-ACDBMABISA-N 3 0 345.506 3.001 20 0 EGADRP CO[C@H]1CCC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C1 ZINC001246382570 1377051693 /nfs/dbraw/zinc/05/16/93/1377051693.db2.gz CBQDMYIYKPTCJN-OALUTQOASA-N 2 0 334.479 3.285 20 0 EGADRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246546460 1377051960 /nfs/dbraw/zinc/05/19/60/1377051960.db2.gz GODQDLWYRZIWMM-HOJAQTOUSA-N 3 0 333.495 3.192 20 0 EGADRP CC(=O)Oc1ccc(C2CCC([N@@H+]3CCC[C@@H]([NH3+])CC3)CC2)cc1 ZINC001246541517 1377052246 /nfs/dbraw/zinc/05/22/46/1377052246.db2.gz LVXPUBVTZAJPHY-CUYAVPTFSA-N 2 0 330.472 3.451 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@](F)(C[NH3+])CC3)CCO2)cc1 ZINC001246546392 1377052638 /nfs/dbraw/zinc/05/26/38/1377052638.db2.gz GHMWBKOLBCGKOK-YTQUADARSA-N 2 0 336.451 3.068 20 0 EGADRP CC(C)[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246724978 1377053699 /nfs/dbraw/zinc/05/36/99/1377053699.db2.gz NOKDUCAJICKCRR-HDAAZOAOSA-N 2 0 343.515 3.339 20 0 EGADRP COC(=O)c1ccc(C2CC[NH+]([C@@H]3CC[NH2+]C(C)(C)C3)CC2)cc1 ZINC001246822658 1377055204 /nfs/dbraw/zinc/05/52/04/1377055204.db2.gz MIIVTUNWZDLRGS-GOSISDBHSA-N 2 0 330.472 3.183 20 0 EGADRP [NH3+]CCN(Cc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246820693 1377055304 /nfs/dbraw/zinc/05/53/04/1377055304.db2.gz JKOMWBDZEKEHPX-OAHLLOKOSA-N 2 0 342.314 3.429 20 0 EGADRP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937702 1377055877 /nfs/dbraw/zinc/05/58/77/1377055877.db2.gz BULPKFNSCDIVNX-BMFZPTHFSA-N 2 0 342.405 3.448 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001135373093 1377060157 /nfs/dbraw/zinc/06/01/57/1377060157.db2.gz UMWOPNCITNQTRQ-SJORKVTESA-N 2 0 333.520 3.135 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc2ccccc2c1)NC(=O)CC[NH+](C)C ZINC001135376918 1377062251 /nfs/dbraw/zinc/06/22/51/1377062251.db2.gz ZSVDXDDQCOEJRK-IRXDYDNUSA-N 2 0 341.499 3.164 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CCCc1ccc(C)cc1 ZINC001135436910 1377096571 /nfs/dbraw/zinc/09/65/71/1377096571.db2.gz FVWCCAASPYSNTL-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001135437841 1377097762 /nfs/dbraw/zinc/09/77/62/1377097762.db2.gz YRSGCFDTSNXELS-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1cc(F)cc(CN2CCC([NH2+][C@@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254510506 1377105193 /nfs/dbraw/zinc/10/51/93/1377105193.db2.gz XENFLZFPAMMEME-LJQANCHMSA-N 2 0 333.495 3.172 20 0 EGADRP C[N@H+]([C@@H]1CCC[NH+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254528956 1377106728 /nfs/dbraw/zinc/10/67/28/1377106728.db2.gz BJIKPQNGHWLNGE-MRXNPFEDSA-N 2 0 339.524 3.192 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1)[NH2+]CCC1CC1 ZINC001135471464 1377108843 /nfs/dbraw/zinc/10/88/43/1377108843.db2.gz MRJKVVHKCZURGP-SJORKVTESA-N 2 0 345.531 3.077 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)C(C)C ZINC001135474651 1377110164 /nfs/dbraw/zinc/11/01/64/1377110164.db2.gz WONBGBDBFXGYAU-YNEJIKTKSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)CC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001256365825 1377111945 /nfs/dbraw/zinc/11/19/45/1377111945.db2.gz UAYWZQVWXZUNKX-YRPNKDGESA-N 2 0 347.551 3.276 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001135607753 1377160852 /nfs/dbraw/zinc/16/08/52/1377160852.db2.gz BZRWFIKPTYYGCD-ROUUACIJSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135706029 1377190599 /nfs/dbraw/zinc/19/05/99/1377190599.db2.gz NMNORVJZNPYHNQ-UONOGXRCSA-N 2 0 339.549 3.080 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135747758 1377200297 /nfs/dbraw/zinc/20/02/97/1377200297.db2.gz UPXBDEIQEHVJHU-OALUTQOASA-N 2 0 347.547 3.224 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135747757 1377200713 /nfs/dbraw/zinc/20/07/13/1377200713.db2.gz UPXBDEIQEHVJHU-MOPGFXCFSA-N 2 0 347.547 3.224 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135860900 1377238177 /nfs/dbraw/zinc/23/81/77/1377238177.db2.gz IWRSGCOORCUZAV-RBUKOAKNSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944434 1377272797 /nfs/dbraw/zinc/27/27/97/1377272797.db2.gz JPGPYNQBYMBQBJ-CVEARBPZSA-N 2 0 334.508 3.070 20 0 EGADRP Cc1cc(C)c(C[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001266326983 1377274293 /nfs/dbraw/zinc/27/42/93/1377274293.db2.gz SURCZMZGYTVDPR-UHFFFAOYSA-N 2 0 347.547 3.138 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135974478 1377283775 /nfs/dbraw/zinc/28/37/75/1377283775.db2.gz PUMLREWVBKHZFW-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135977779 1377285147 /nfs/dbraw/zinc/28/51/47/1377285147.db2.gz YWCJBNISROXVFH-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135980658 1377285704 /nfs/dbraw/zinc/28/57/04/1377285704.db2.gz REXJHLHDDIZXLG-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135980515 1377285992 /nfs/dbraw/zinc/28/59/92/1377285992.db2.gz PIXLMJPTRHCTHB-UONOGXRCSA-N 2 0 339.549 3.080 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135981131 1377286035 /nfs/dbraw/zinc/28/60/35/1377286035.db2.gz YOACEWUNNKLUFN-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135980273 1377286268 /nfs/dbraw/zinc/28/62/68/1377286268.db2.gz MOVADUUYJGBBFN-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135980300 1377286506 /nfs/dbraw/zinc/28/65/06/1377286506.db2.gz NGRMFVFWABEAHK-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1CC ZINC001135992892 1377291161 /nfs/dbraw/zinc/29/11/61/1377291161.db2.gz WDMPRIHSOYSFKC-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135996356 1377292188 /nfs/dbraw/zinc/29/21/88/1377292188.db2.gz RSIBTRWGNSBJQF-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001266634770 1377354590 /nfs/dbraw/zinc/35/45/90/1377354590.db2.gz FIGYPVGCKXVZIP-BZSNNMDCSA-N 2 0 337.552 3.026 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC001136223926 1377365773 /nfs/dbraw/zinc/36/57/73/1377365773.db2.gz ZFXDVWDTZRURHK-KRWDZBQOSA-N 2 0 345.531 3.313 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1)C1CCC1 ZINC001267271148 1377436019 /nfs/dbraw/zinc/43/60/19/1377436019.db2.gz ZUJMWIDMCQAFQW-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1cc(C)ccc1C ZINC001267823776 1377472911 /nfs/dbraw/zinc/47/29/11/1377472911.db2.gz PFCMQIPPMDDYNF-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cccc2nc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)cn21 ZINC001137300395 1377511987 /nfs/dbraw/zinc/51/19/87/1377511987.db2.gz DZNMDSFPYIXOTP-UHFFFAOYSA-N 2 0 326.488 3.197 20 0 EGADRP c1[nH]c2ncccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137403685 1377541352 /nfs/dbraw/zinc/54/13/52/1377541352.db2.gz YAOLLKGPIKLSKD-KDURUIRLSA-N 2 0 332.451 3.127 20 0 EGADRP CCCCc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)s1 ZINC001138755868 1377780629 /nfs/dbraw/zinc/78/06/29/1377780629.db2.gz JLPYUFQRSFRXQO-RBUKOAKNSA-N 2 0 335.561 3.301 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc1 ZINC001138768695 1377782347 /nfs/dbraw/zinc/78/23/47/1377782347.db2.gz BQOZDZATEZFGRC-INIZCTEOSA-N 2 0 348.384 3.351 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC001138772037 1377782378 /nfs/dbraw/zinc/78/23/78/1377782378.db2.gz DNKPKABXQPRMMM-IBGZPJMESA-N 2 0 325.456 3.012 20 0 EGADRP COc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C(C)C ZINC001139618018 1377919452 /nfs/dbraw/zinc/91/94/52/1377919452.db2.gz HXOIKQSDAQHKKQ-UHFFFAOYSA-N 2 0 345.531 3.030 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC001140165245 1378024332 /nfs/dbraw/zinc/02/43/32/1378024332.db2.gz PAIVWQMYJGRXCP-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP FC(F)(F)CCC[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275166500 1378137260 /nfs/dbraw/zinc/13/72/60/1378137260.db2.gz YQHLVESIPBKESK-UHFFFAOYSA-N 2 0 330.398 3.040 20 0 EGADRP CS[C@@H](C)CC[NH+]1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001276470254 1378174785 /nfs/dbraw/zinc/17/47/85/1378174785.db2.gz JIBUBZYTMJDJKK-AWEZNQCLSA-N 2 0 339.574 3.491 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c1 ZINC001276577083 1378180438 /nfs/dbraw/zinc/18/04/38/1378180438.db2.gz SSJDBZCCPIDXAJ-SFTDATJTSA-N 2 0 345.506 3.479 20 0 EGADRP Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH+](C)C4)C3)cc2)n1 ZINC001277254626 1378213211 /nfs/dbraw/zinc/21/32/11/1378213211.db2.gz VKLAGQLMLLZRNC-OAQYLSRUSA-N 2 0 338.499 3.395 20 0 EGADRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1c3ccoc3ccc1F)C2 ZINC001278173688 1378260974 /nfs/dbraw/zinc/26/09/74/1378260974.db2.gz RCAYXVKLCIPKJR-UHFFFAOYSA-N 2 0 345.462 3.031 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278450657 1378271768 /nfs/dbraw/zinc/27/17/68/1378271768.db2.gz RTKWSPIEPQVTLT-AZUAARDMSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc3c2OCOC3)CC1 ZINC001141396332 1378317670 /nfs/dbraw/zinc/31/76/70/1378317670.db2.gz KGHPGOBWFZVQFS-UHFFFAOYSA-N 2 0 336.451 3.244 20 0 EGADRP Cn1cc2c(cccc2C[N@H+](C2CCCC2)C2CCN(C)CC2)n1 ZINC001142473173 1378446289 /nfs/dbraw/zinc/44/62/89/1378446289.db2.gz FWAJBWKZSHXXHM-UHFFFAOYSA-N 2 0 326.488 3.412 20 0 EGADRP COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001142908710 1378507908 /nfs/dbraw/zinc/50/79/08/1378507908.db2.gz HZSXWPTWGWYDLW-VQTJNVASSA-N 2 0 344.499 3.241 20 0 EGADRP c1cn2cc(C[NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)ccc2n1 ZINC001143026787 1378529102 /nfs/dbraw/zinc/52/91/02/1378529102.db2.gz FCRHRWZSWMGYSB-UHFFFAOYSA-N 2 0 346.478 3.432 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1)C1CCC1 ZINC001282667953 1378541217 /nfs/dbraw/zinc/54/12/17/1378541217.db2.gz SVGADCQFADALBU-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144269258 1378708142 /nfs/dbraw/zinc/70/81/42/1378708142.db2.gz IHJIVZAMMVVSAV-RTBURBONSA-N 2 0 337.467 3.131 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001146338741 1378820711 /nfs/dbraw/zinc/82/07/11/1378820711.db2.gz HTEPQTSICZJPHM-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001146399406 1378835157 /nfs/dbraw/zinc/83/51/57/1378835157.db2.gz WPQACBYZIYIPHQ-SJORKVTESA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146534455 1378862028 /nfs/dbraw/zinc/86/20/28/1378862028.db2.gz JKQVQPURIHSXRV-ZWKOTPCHSA-N 2 0 335.536 3.236 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)cc1 ZINC001146534614 1378862558 /nfs/dbraw/zinc/86/25/58/1378862558.db2.gz KBBCMJORKVOYPM-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537229 1378863538 /nfs/dbraw/zinc/86/35/38/1378863538.db2.gz XNMDYTOLKJQVKR-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C)[NH2+]CC1CCC1 ZINC001146583112 1378870505 /nfs/dbraw/zinc/87/05/05/1378870505.db2.gz JJGSYFYTFDLNBU-CVEARBPZSA-N 2 0 331.504 3.035 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583475 1378870752 /nfs/dbraw/zinc/87/07/52/1378870752.db2.gz LNFWVCOJSAGJNX-DLBZAZTESA-N 2 0 333.520 3.425 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001146590867 1378873617 /nfs/dbraw/zinc/87/36/17/1378873617.db2.gz CNILUNFEIGXFRW-AMVALYDKSA-N 2 0 345.531 3.303 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001146593824 1378874067 /nfs/dbraw/zinc/87/40/67/1378874067.db2.gz QLIVWWIJMJJBDY-ZWKOTPCHSA-N 2 0 333.520 3.017 20 0 EGADRP Cc1ccccc1CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146601651 1378875792 /nfs/dbraw/zinc/87/57/92/1378875792.db2.gz NMCHLBRQCDFABE-OALUTQOASA-N 2 0 347.547 3.141 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146602357 1378876034 /nfs/dbraw/zinc/87/60/34/1378876034.db2.gz SITYRBUWBOMEFF-DLBZAZTESA-N 2 0 337.552 3.170 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146611575 1378878026 /nfs/dbraw/zinc/87/80/26/1378878026.db2.gz MOIYUYQENDLFKC-KAGICYHLSA-N 2 0 337.552 3.482 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001147348923 1379007309 /nfs/dbraw/zinc/00/73/09/1379007309.db2.gz JVVDVTMTYGKBLT-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001147359531 1379009014 /nfs/dbraw/zinc/00/90/14/1379009014.db2.gz RCWKXRNKZUOOAR-IBGZPJMESA-N 2 0 349.494 3.017 20 0 EGADRP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001283612439 1379053287 /nfs/dbraw/zinc/05/32/87/1379053287.db2.gz QIQKISHTXZLQOR-INIZCTEOSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001283721578 1379143445 /nfs/dbraw/zinc/14/34/45/1379143445.db2.gz JENUVNSRUQWMHP-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284912 1379145290 /nfs/dbraw/zinc/14/52/90/1379145290.db2.gz JHJDKPUQSKFQGL-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2)[NH+](CC)CC ZINC001148284851 1379145338 /nfs/dbraw/zinc/14/53/38/1379145338.db2.gz HKTMBGTYXIONOO-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2)[NH+](CC)CC ZINC001148286338 1379146020 /nfs/dbraw/zinc/14/60/20/1379146020.db2.gz WTOWPLITIUBOQB-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390057 1379162626 /nfs/dbraw/zinc/16/26/26/1379162626.db2.gz ARCKSWULEYIEPC-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605752 1379224166 /nfs/dbraw/zinc/22/41/66/1379224166.db2.gz UDXWEMRWUGERNN-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001148833566 1379279026 /nfs/dbraw/zinc/27/90/26/1379279026.db2.gz ALNPLSHLFYCIEI-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833851 1379279640 /nfs/dbraw/zinc/27/96/40/1379279640.db2.gz NZUQGNHLJVSCFH-GHOSXJJBSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900110 1379293994 /nfs/dbraw/zinc/29/39/94/1379293994.db2.gz RSPLBCPENGXPAV-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC001149140459 1379332889 /nfs/dbraw/zinc/33/28/89/1379332889.db2.gz WGIWYGYWYUPFCV-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001284033810 1379384129 /nfs/dbraw/zinc/38/41/29/1379384129.db2.gz PGHVJEQHZGSXKP-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP Fc1cccc(-c2noc([C@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC001327865894 1388609502 /nfs/dbraw/zinc/60/95/02/1388609502.db2.gz VNAPMHJOOYYSAW-HOCLYGCPSA-N 2 0 344.434 3.055 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001152464553 1379938648 /nfs/dbraw/zinc/93/86/48/1379938648.db2.gz WNOQBLUKMPILQX-RBUKOAKNSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1C ZINC001152480506 1379940589 /nfs/dbraw/zinc/94/05/89/1379940589.db2.gz VQVOWQDQZVTKAD-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H]([NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C)c1ccccc1 ZINC001284599131 1379999860 /nfs/dbraw/zinc/99/98/60/1379999860.db2.gz RTFVLZVSZHCFFX-WMZOPIPTSA-N 2 0 345.531 3.352 20 0 EGADRP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313440 1380053497 /nfs/dbraw/zinc/05/34/97/1380053497.db2.gz QVVZXSFYAYIXLK-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313886 1380053851 /nfs/dbraw/zinc/05/38/51/1380053851.db2.gz YZESJZNCIXFBKP-VQIMIIECSA-N 2 0 349.494 3.025 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313494 1380054341 /nfs/dbraw/zinc/05/43/41/1380054341.db2.gz SZNZOPMUXYRUFX-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368751 1380065981 /nfs/dbraw/zinc/06/59/81/1380065981.db2.gz WYPOXLAMDLKKKI-GFOMBABLSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153393017 1380069503 /nfs/dbraw/zinc/06/95/03/1380069503.db2.gz GOBPAMXJYAWMNG-QGZVFWFLSA-N 2 0 325.541 3.124 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153653687 1380110748 /nfs/dbraw/zinc/11/07/48/1380110748.db2.gz AJMWODJAXIAHKB-HGFSOSMJSA-N 2 0 343.531 3.239 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(F)c1 ZINC001153720740 1380119095 /nfs/dbraw/zinc/11/90/95/1380119095.db2.gz OCQRAENYPMQYPV-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153802522 1380132530 /nfs/dbraw/zinc/13/25/30/1380132530.db2.gz JOYCFDSVGZBOQO-QUCCMNQESA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819002 1380136160 /nfs/dbraw/zinc/13/61/60/1380136160.db2.gz JWFKOCIZKBAQBI-HKVOBHHDSA-N 2 0 337.552 3.432 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854749 1380144472 /nfs/dbraw/zinc/14/44/72/1380144472.db2.gz URBQMUVZOGGRAP-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034202 1380187390 /nfs/dbraw/zinc/18/73/90/1380187390.db2.gz VODZNJUEPRZVIO-ADRWGQEASA-N 2 0 343.515 3.011 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1c(C)cccc1C ZINC001154070295 1380198562 /nfs/dbraw/zinc/19/85/62/1380198562.db2.gz XUIRCUJNVCPPPJ-GOSISDBHSA-N 2 0 347.547 3.360 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099928 1380207644 /nfs/dbraw/zinc/20/76/44/1380207644.db2.gz VAKKIQMJCGHUEO-QGZVFWFLSA-N 2 0 337.552 3.432 20 0 EGADRP CC[C@@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1)[NH+](C)C ZINC001154274820 1380244176 /nfs/dbraw/zinc/24/41/76/1380244176.db2.gz RCIMJLKZUXCWCI-IBGZPJMESA-N 2 0 345.531 3.278 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455178 1380281128 /nfs/dbraw/zinc/28/11/28/1380281128.db2.gz IZBPXTZVVCQWEU-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898206 1380373824 /nfs/dbraw/zinc/37/38/24/1380373824.db2.gz AHBRDGYUMHBCAY-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1)[NH+](CC)CC ZINC001155174969 1380419535 /nfs/dbraw/zinc/41/95/35/1380419535.db2.gz NRXZYPDFGAPWNX-QUCCMNQESA-N 2 0 347.547 3.442 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccsc1)[NH+](CC)CC ZINC001155180788 1380420338 /nfs/dbraw/zinc/42/03/38/1380420338.db2.gz QAWBCZZKQRRZIP-WBVHZDCISA-N 2 0 339.549 3.195 20 0 EGADRP CC[N@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226109 1380426342 /nfs/dbraw/zinc/42/63/42/1380426342.db2.gz HMCARMIOBGSUDZ-CLARTRLESA-N 2 0 343.515 3.011 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263899 1380430259 /nfs/dbraw/zinc/43/02/59/1380430259.db2.gz XKJQAUMENVTIDF-SXSDINLZSA-N 2 0 325.541 3.147 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCC1CCCC1)[NH+](C)C ZINC001155289388 1380434025 /nfs/dbraw/zinc/43/40/25/1380434025.db2.gz PXUAJPNJLFLEDW-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC001155803037 1380493474 /nfs/dbraw/zinc/49/34/74/1380493474.db2.gz VUBDAOOIGNXEQY-JXFKEZNVSA-N 2 0 339.483 3.091 20 0 EGADRP Cc1c(C)n(-c2cc(Cl)nc3c2CC[NH2+]C3)c2ccc(C[NH3+])cc12 ZINC001155907016 1380504610 /nfs/dbraw/zinc/50/46/10/1380504610.db2.gz OAAAOLVNUNNNLX-UHFFFAOYSA-N 2 0 340.858 3.400 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993969 1380511493 /nfs/dbraw/zinc/51/14/93/1380511493.db2.gz CKQWQWFJLKBAST-OLHLWXQYSA-N 2 0 337.552 3.291 20 0 EGADRP c1cnc(C2CC[NH2+]CC2)c(CNc2cc(N3CCCC3)cc[nH+]2)c1 ZINC001155999607 1380511892 /nfs/dbraw/zinc/51/18/92/1380511892.db2.gz FVBDNWHTATUPQC-UHFFFAOYSA-N 2 0 337.471 3.156 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156306690 1380555084 /nfs/dbraw/zinc/55/50/84/1380555084.db2.gz VRHAIDIYVIQNAQ-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)CC[NH2+]C5)[C@H]3C2)cc1 ZINC001156313809 1380556842 /nfs/dbraw/zinc/55/68/42/1380556842.db2.gz CIZNURKLJFPTGE-IRFCIJBXSA-N 2 0 348.494 3.050 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc1 ZINC001156401715 1380571711 /nfs/dbraw/zinc/57/17/11/1380571711.db2.gz KAXDEHIBESNFSE-SFHLNBCPSA-N 2 0 342.531 3.407 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCC1=CCCCC1 ZINC001156517158 1380587343 /nfs/dbraw/zinc/58/73/43/1380587343.db2.gz PHTRKNUFAQLMLY-GOSISDBHSA-N 2 0 337.552 3.435 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC/C=C\c1ccccc1 ZINC001156529496 1380588611 /nfs/dbraw/zinc/58/86/11/1380588611.db2.gz BQBAJFAVCYLTCQ-LMICACPXSA-N 2 0 345.531 3.258 20 0 EGADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2cccc2C[NH3+])n1 ZINC001156731049 1380619444 /nfs/dbraw/zinc/61/94/44/1380619444.db2.gz WETNCBPWYQVSPX-UHFFFAOYSA-N 2 0 343.500 3.399 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001328103317 1388674027 /nfs/dbraw/zinc/67/40/27/1388674027.db2.gz SOXUQGSUZUMJSP-HKUYNNGSSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157108736 1380776927 /nfs/dbraw/zinc/77/69/27/1380776927.db2.gz CDSNZPAJUFXLGR-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CCCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C)cc1 ZINC001157113386 1380778274 /nfs/dbraw/zinc/77/82/74/1380778274.db2.gz IZPOIUFLMVFXGW-GOSISDBHSA-N 2 0 347.547 3.306 20 0 EGADRP CC[N@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113304 1380778452 /nfs/dbraw/zinc/77/84/52/1380778452.db2.gz GWUWDRLOIUMLAD-OAHLLOKOSA-N 2 0 339.911 3.007 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157118526 1380780023 /nfs/dbraw/zinc/78/00/23/1380780023.db2.gz HKMRMKCKHCWKAB-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC1(Nc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]CC1 ZINC001157401372 1380870718 /nfs/dbraw/zinc/87/07/18/1380870718.db2.gz FTTGFQFTDZWXIN-UHFFFAOYSA-N 2 0 336.483 3.194 20 0 EGADRP C[N@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702596 1381008472 /nfs/dbraw/zinc/00/84/72/1381008472.db2.gz ZAAYSMGMORZRDO-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001157887418 1381060765 /nfs/dbraw/zinc/06/07/65/1381060765.db2.gz VHJQHFFLZBKYKC-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001157893397 1381062937 /nfs/dbraw/zinc/06/29/37/1381062937.db2.gz FFDHKICGTVAKLI-KUMUZEIWSA-N 2 0 343.515 3.059 20 0 EGADRP O=C([C@@H]1CCC[C@H](c2ccccc2)[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971257 1381087121 /nfs/dbraw/zinc/08/71/21/1381087121.db2.gz WREDJLMMPUNLFZ-HKBOAZHASA-N 2 0 349.478 3.043 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc(CF)cc1)[NH+]1CCCCC1 ZINC001158073930 1381121338 /nfs/dbraw/zinc/12/13/38/1381121338.db2.gz SVCWITZIXVLZPJ-UHFFFAOYSA-N 2 0 349.494 3.017 20 0 EGADRP Cc1ccc(CCCNc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC001158377388 1381224737 /nfs/dbraw/zinc/22/47/37/1381224737.db2.gz MXNKETFHQAOWLO-UHFFFAOYSA-N 2 0 340.471 3.303 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC001158403900 1381231352 /nfs/dbraw/zinc/23/13/52/1381231352.db2.gz MJFAGEGKHVCFAJ-VQTJNVASSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC(C)C)[NH+](C)C ZINC001158487140 1381263793 /nfs/dbraw/zinc/26/37/93/1381263793.db2.gz SXTAMZUMEWILRK-OTWHNJEPSA-N 2 0 339.568 3.322 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C/C=C\Cl)[NH+](CC)CC ZINC001158491139 1381266337 /nfs/dbraw/zinc/26/63/37/1381266337.db2.gz LCNBRVMQCNTLDY-JOOJNFMESA-N 2 0 343.943 3.172 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1)[NH+](CC)CC ZINC001158491545 1381266563 /nfs/dbraw/zinc/26/65/63/1381266563.db2.gz RRNJIVZJDAVEOZ-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@H](C)CC(C)C ZINC001158704683 1381360162 /nfs/dbraw/zinc/36/01/62/1381360162.db2.gz QPDIJZVZOBJDJV-RTBURBONSA-N 2 0 339.568 3.323 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001159161872 1381685974 /nfs/dbraw/zinc/68/59/74/1381685974.db2.gz JMJBWNWBHCSCFV-UHFFFAOYSA-N 2 0 349.544 3.410 20 0 EGADRP Cc1cc(Nc2sc3c(c2C(=O)OC(C)(C)C)CC[NH2+]C3)cc[nH+]1 ZINC001159274987 1381750138 /nfs/dbraw/zinc/75/01/38/1381750138.db2.gz VSYJACZJDVNAIZ-UHFFFAOYSA-N 2 0 345.468 3.218 20 0 EGADRP Cc1[nH]c2ccc(Nc3ccc(OCC4CC[NH2+]CC4)nc3)cc2[nH+]1 ZINC001159343760 1381771514 /nfs/dbraw/zinc/77/15/14/1381771514.db2.gz GZVHGUSFBWFHJA-UHFFFAOYSA-N 2 0 337.427 3.388 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(OCC[NH3+])c2)C1 ZINC001159389592 1381783713 /nfs/dbraw/zinc/78/37/13/1381783713.db2.gz KYSPXEHUZUHJEQ-JYJNAYRXSA-N 2 0 340.471 3.394 20 0 EGADRP C[NH+]1CCN(Cc2ccccc2Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC001159510655 1381813219 /nfs/dbraw/zinc/81/32/19/1381813219.db2.gz NBDMPKWERKYIAP-UHFFFAOYSA-N 2 0 338.499 3.371 20 0 EGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1cccc2c1CC[NH2+]C2 ZINC001159540208 1381822525 /nfs/dbraw/zinc/82/25/25/1381822525.db2.gz TUAVJMRPAQHIFY-UHFFFAOYSA-N 2 0 336.483 3.136 20 0 EGADRP Fc1cc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)ccc1N1CC[NH2+]CC1 ZINC001159539943 1381822809 /nfs/dbraw/zinc/82/28/09/1381822809.db2.gz VTJISDSMMJBZBR-LJQANCHMSA-N 2 0 340.446 3.403 20 0 EGADRP CC(C)(C[NH3+])c1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001159579539 1381835652 /nfs/dbraw/zinc/83/56/52/1381835652.db2.gz FBJTVMQXTJZOOQ-UHFFFAOYSA-N 2 0 338.499 3.072 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCCCC2)CC1 ZINC001159628512 1381852810 /nfs/dbraw/zinc/85/28/10/1381852810.db2.gz KQAQEQSTDLTXIR-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC2CCCC2)CC1 ZINC001159629576 1381853382 /nfs/dbraw/zinc/85/33/82/1381853382.db2.gz ZNTVEPLZVZTQOA-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])NC(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001159784042 1381898960 /nfs/dbraw/zinc/89/89/60/1381898960.db2.gz GOBBIBCRCKKQDA-HNNXBMFYSA-N 2 0 340.805 3.065 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1nnc(-c2ccc(F)c(F)c2)c2ccccc21 ZINC001159787593 1381899921 /nfs/dbraw/zinc/89/99/21/1381899921.db2.gz YPPFTPCGNMPJIO-MRXNPFEDSA-N 2 0 343.381 3.011 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001159789799 1381900883 /nfs/dbraw/zinc/90/08/83/1381900883.db2.gz XKJZBMTYJXIDSQ-IBGZPJMESA-N 2 0 349.438 3.372 20 0 EGADRP Fc1ccc(OCC2CC[NH2+]CC2)c(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001159889637 1381928974 /nfs/dbraw/zinc/92/89/74/1381928974.db2.gz MOABDGXZWFGOTK-CVEARBPZSA-N 2 0 331.435 3.024 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159907793 1381934571 /nfs/dbraw/zinc/93/45/71/1381934571.db2.gz CXDFESWAFVCESG-HXUWFJFHSA-N 2 0 345.531 3.108 20 0 EGADRP C[N@H+](Cc1ccc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc1)C1CC1 ZINC001159953484 1381948109 /nfs/dbraw/zinc/94/81/09/1381948109.db2.gz UHVJOKUCKNORIT-INIZCTEOSA-N 2 0 346.478 3.436 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1c(F)cccc1N1CC[NH2+]CC1 ZINC001160057726 1381985374 /nfs/dbraw/zinc/98/53/74/1381985374.db2.gz YEUDVLOLGWSHDE-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP Fc1cc(Nc2cccc3c2CC[NH2+]C3)ccc1OC1CC[NH2+]CC1 ZINC001160098955 1381996168 /nfs/dbraw/zinc/99/61/68/1381996168.db2.gz PIBYKSHUZABCCU-UHFFFAOYSA-N 2 0 341.430 3.346 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160128191 1382006207 /nfs/dbraw/zinc/00/62/07/1382006207.db2.gz ORKDGBWDWQCOLI-MRXNPFEDSA-N 2 0 329.419 3.372 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160285903 1382061962 /nfs/dbraw/zinc/06/19/62/1382061962.db2.gz KTWCOOJWIIRODB-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP c1cc2c(c(NC3=CC[C@H]([NH+]4CCCC4)CC3)c1)[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394957 1382092232 /nfs/dbraw/zinc/09/22/32/1382092232.db2.gz NTCARNLZUYXTHF-FCEWJHQRSA-N 2 0 325.456 3.079 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400427 1382094113 /nfs/dbraw/zinc/09/41/13/1382094113.db2.gz QAYOJEAYJPJUNZ-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001160479047 1382118391 /nfs/dbraw/zinc/11/83/91/1382118391.db2.gz LHOSORXGNBMIMG-LYBXBRPPSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788047 1382195924 /nfs/dbraw/zinc/19/59/24/1382195924.db2.gz WRNFKJVOHGUTNK-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834964 1382212573 /nfs/dbraw/zinc/21/25/73/1382212573.db2.gz SKJVNRGZQOFKRM-GOSISDBHSA-N 2 0 343.515 3.028 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160870508 1382220061 /nfs/dbraw/zinc/22/00/61/1382220061.db2.gz YJBZSOKXZUNVPK-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001160889542 1382225949 /nfs/dbraw/zinc/22/59/49/1382225949.db2.gz MPCHOVVYTPKKJD-OXJNMPFZSA-N 2 0 341.499 3.337 20 0 EGADRP [NH3+]CCc1cn(-c2nnc(Cl)c3ccsc32)c2cc[nH+]cc12 ZINC001160945580 1382246923 /nfs/dbraw/zinc/24/69/23/1382246923.db2.gz GCUXKASLGVOOLG-UHFFFAOYSA-N 2 0 329.816 3.185 20 0 EGADRP Cc1ccc(-c2ccc(-n3cc(CC[NH3+])c4c[nH+]ccc43)nn2)cc1 ZINC001160949914 1382248754 /nfs/dbraw/zinc/24/87/54/1382248754.db2.gz GKHJJPQUOLFNKA-UHFFFAOYSA-N 2 0 329.407 3.292 20 0 EGADRP [NH3+]CCc1cn(-c2nccc(Oc3cccc(F)c3)n2)c2cc[nH+]cc12 ZINC001160949685 1382248804 /nfs/dbraw/zinc/24/88/04/1382248804.db2.gz ALIIIRJNRDPSAM-UHFFFAOYSA-N 2 0 349.369 3.248 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001160990328 1382263735 /nfs/dbraw/zinc/26/37/35/1382263735.db2.gz IRKBFJVGRSPCCP-UHFFFAOYSA-N 2 0 342.487 3.489 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC001293540003 1382297699 /nfs/dbraw/zinc/29/76/99/1382297699.db2.gz HBTZLMVBRNMISL-ZCNNSNEGSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)Oc1cc[nH+]c(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001161104550 1382298739 /nfs/dbraw/zinc/29/87/39/1382298739.db2.gz VHELVCZDZYTBAS-UHFFFAOYSA-N 2 0 326.444 3.340 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133688 1382313860 /nfs/dbraw/zinc/31/38/60/1382313860.db2.gz MWQSMEOOPWGSAD-NDDJGDGRSA-N 2 0 349.563 3.457 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)[NH+](CC)CC ZINC001161213851 1382344643 /nfs/dbraw/zinc/34/46/43/1382344643.db2.gz MEGJZPSUYJCKQS-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001161391526 1382396020 /nfs/dbraw/zinc/39/60/20/1382396020.db2.gz SWGSTPZUZUILNY-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP COc1ccc2c(cc[nH+]c2NC2(Cc3ccccn3)CC[NH2+]CC2)c1 ZINC001161491834 1382421747 /nfs/dbraw/zinc/42/17/47/1382421747.db2.gz RLEIIFSQIFDEKG-UHFFFAOYSA-N 2 0 348.450 3.415 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492078 1382421794 /nfs/dbraw/zinc/42/17/94/1382421794.db2.gz PXYFDFCMDIDLTD-IBGZPJMESA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622904 1382463314 /nfs/dbraw/zinc/46/33/14/1382463314.db2.gz WNVNPJCCCSYEIE-UHFFFAOYSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)(C)CN(c1nccc(C2CC[NH2+]CC2)n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161680123 1382478475 /nfs/dbraw/zinc/47/84/75/1382478475.db2.gz FONABLHPFXERCL-QAQDUYKDSA-N 2 0 345.535 3.066 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)C1 ZINC001161705895 1382485881 /nfs/dbraw/zinc/48/58/81/1382485881.db2.gz ZESCMIHFYMGIRI-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP CCC[N@H+](CC)CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001328588934 1388784476 /nfs/dbraw/zinc/78/44/76/1388784476.db2.gz QNKDZEMKHCNHFS-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001161795368 1382508069 /nfs/dbraw/zinc/50/80/69/1382508069.db2.gz DXSSQCKVCKTOIL-SFHVURJKSA-N 2 0 343.515 3.089 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001161873126 1382535684 /nfs/dbraw/zinc/53/56/84/1382535684.db2.gz SZJBOSMQECKEAV-DLBZAZTESA-N 2 0 342.487 3.260 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001161986978 1382589662 /nfs/dbraw/zinc/58/96/62/1382589662.db2.gz PQHSZGIVUXRGIH-UHFFFAOYSA-N 2 0 347.503 3.283 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(Br)cc2c[nH+]cn21 ZINC001162470771 1382767246 /nfs/dbraw/zinc/76/72/46/1382767246.db2.gz MBUKNCRYKAKMLH-NWDGAFQWSA-N 2 0 337.265 3.144 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001328693122 1388810545 /nfs/dbraw/zinc/81/05/45/1388810545.db2.gz GRFUTLNKDOGMJV-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001162617921 1382811583 /nfs/dbraw/zinc/81/15/83/1382811583.db2.gz XOYDKBXONQTJMG-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP Cc1cnc(N[C@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)c(C[NH3+])c1 ZINC001162817572 1382884604 /nfs/dbraw/zinc/88/46/04/1382884604.db2.gz YQJGOZPGERAVMH-WRUMOOJNSA-N 2 0 342.531 3.407 20 0 EGADRP c1cc([C@H]2CCC[NH2+]2)ccc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162967110 1382930520 /nfs/dbraw/zinc/93/05/20/1382930520.db2.gz YTBVWHYUUHXFJX-RBUKOAKNSA-N 2 0 329.488 3.072 20 0 EGADRP CC[C@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977333 1382935200 /nfs/dbraw/zinc/93/52/00/1382935200.db2.gz LMKZTUHDCXRCGJ-IBGZPJMESA-N 2 0 347.547 3.035 20 0 EGADRP CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC001162986915 1382938014 /nfs/dbraw/zinc/93/80/14/1382938014.db2.gz DTVIQSCEJGLZHA-UHFFFAOYSA-N 2 0 347.547 3.179 20 0 EGADRP C[N@@H+]1CC[C@H](c2ccc(NCC[C@H]3C[NH2+]Cc4cccn4C3)cc2)C1 ZINC001163065307 1382959629 /nfs/dbraw/zinc/95/96/29/1382959629.db2.gz MACFLQJPXZKUEN-HKUYNNGSSA-N 2 0 338.499 3.129 20 0 EGADRP CCC/C=C/CC[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163247054 1383003878 /nfs/dbraw/zinc/00/38/78/1383003878.db2.gz AIXYLESANMBTMB-VOTSOKGWSA-N 2 0 345.531 3.247 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001164456276 1383188425 /nfs/dbraw/zinc/18/84/25/1383188425.db2.gz OTBMKPARNUHWJI-IBGZPJMESA-N 2 0 335.536 3.095 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001164456769 1383188695 /nfs/dbraw/zinc/18/86/95/1383188695.db2.gz ZEJPRFBTZHSAHU-UXHICEINSA-N 2 0 345.531 3.356 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164501122 1383193800 /nfs/dbraw/zinc/19/38/00/1383193800.db2.gz SMJZNDYQDNRVID-LJQANCHMSA-N 2 0 337.552 3.460 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001164514261 1383195338 /nfs/dbraw/zinc/19/53/38/1383195338.db2.gz NTEORPMGFAHQGF-SFHVURJKSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001164514698 1383195375 /nfs/dbraw/zinc/19/53/75/1383195375.db2.gz ROJWWOODTYMUTB-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001164583114 1383201907 /nfs/dbraw/zinc/20/19/07/1383201907.db2.gz TWYZBZNSQVKUNA-DLBZAZTESA-N 2 0 337.552 3.029 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165083474 1383224258 /nfs/dbraw/zinc/22/42/58/1383224258.db2.gz GKDCMIWBLDYLNK-FXAWDEMLSA-N 2 0 332.451 3.284 20 0 EGADRP [NH3+][C@H]1CCN(c2ccc(F)cc2NC2=CC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC001165213380 1383249763 /nfs/dbraw/zinc/24/97/63/1383249763.db2.gz AGTGILWSFANZQR-FUHWJXTLSA-N 2 0 344.478 3.307 20 0 EGADRP [NH3+]CC1(F)CCN(c2[nH+]c(N3CCCC3)cc3ccccc32)CC1 ZINC001165264241 1383261361 /nfs/dbraw/zinc/26/13/61/1383261361.db2.gz YGYWANVZETXMQX-UHFFFAOYSA-N 2 0 328.435 3.102 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472554 1383299905 /nfs/dbraw/zinc/29/99/05/1383299905.db2.gz MUAVQWYSMRYLQU-GOSISDBHSA-N 2 0 337.552 3.031 20 0 EGADRP O=C(NCCC1(C[NH2+]CCC2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001165485516 1383301794 /nfs/dbraw/zinc/30/17/94/1383301794.db2.gz YGXYPMVSNHABIN-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165501121 1383303697 /nfs/dbraw/zinc/30/36/97/1383303697.db2.gz AUHRLVXWXPEHPP-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165763759 1383341482 /nfs/dbraw/zinc/34/14/82/1383341482.db2.gz FQMWAUSKYIPPSX-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001165765117 1383342422 /nfs/dbraw/zinc/34/24/22/1383342422.db2.gz YVHGUEMNBMXKFV-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001166004268 1383376530 /nfs/dbraw/zinc/37/65/30/1383376530.db2.gz ICDOTAANZYFMEO-HXUWFJFHSA-N 2 0 341.499 3.022 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC/C=C/c1ccccc1)[NH+](CC)CC ZINC001166448536 1383423726 /nfs/dbraw/zinc/42/37/26/1383423726.db2.gz VLLNDOXNICLHEP-XMUSRXTASA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](CC)c1ccccc1)[NH+](CC)CC ZINC001166446621 1383423798 /nfs/dbraw/zinc/42/37/98/1383423798.db2.gz CQPACPKKZJHKBS-RBUKOAKNSA-N 2 0 333.520 3.354 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001166736476 1383468481 /nfs/dbraw/zinc/46/84/81/1383468481.db2.gz NEGSNCBXNRFWMT-QZTJIDSGSA-N 2 0 337.552 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736995 1383468620 /nfs/dbraw/zinc/46/86/20/1383468620.db2.gz XXRAFJMTEUUISI-SREVYHEPSA-N 2 0 345.531 3.247 20 0 EGADRP CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166802302 1383479835 /nfs/dbraw/zinc/47/98/35/1383479835.db2.gz JVLIPCBCMSCHGV-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC001166851549 1383487989 /nfs/dbraw/zinc/48/79/89/1383487989.db2.gz CUARHSQAWVDZMQ-SJORKVTESA-N 2 0 339.911 3.227 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)CC1 ZINC001166979356 1383508908 /nfs/dbraw/zinc/50/89/08/1383508908.db2.gz SHADUHTVIKSWIP-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167160708 1383555650 /nfs/dbraw/zinc/55/56/50/1383555650.db2.gz YWLAQKXEKVFMJM-UHFFFAOYSA-N 2 0 332.451 3.215 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1F ZINC001328786844 1388864168 /nfs/dbraw/zinc/86/41/68/1388864168.db2.gz RGAFCUGLAUCAFS-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCCCC1 ZINC001167608752 1383688239 /nfs/dbraw/zinc/68/82/39/1383688239.db2.gz HYZOLRRWDCFHIT-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001167626509 1383692435 /nfs/dbraw/zinc/69/24/35/1383692435.db2.gz CSZBIOPSVANGPR-PMACEKPBSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627449 1383692816 /nfs/dbraw/zinc/69/28/16/1383692816.db2.gz OAMGHRWMPUNHKZ-QUCCMNQESA-N 2 0 345.531 3.415 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001167640766 1383695963 /nfs/dbraw/zinc/69/59/63/1383695963.db2.gz QYHPXBDAXSPYTE-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001167737565 1383725844 /nfs/dbraw/zinc/72/58/44/1383725844.db2.gz VMTBVICNYMKVJV-LJQANCHMSA-N 2 0 349.563 3.175 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(NC3(C4CCOCC4)CC3)cc2)CC1 ZINC001167748989 1383730106 /nfs/dbraw/zinc/73/01/06/1383730106.db2.gz VBLQSSJNDYYKSX-UHFFFAOYSA-N 2 0 343.515 3.228 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167784592 1383740882 /nfs/dbraw/zinc/74/08/82/1383740882.db2.gz VMHSFIFCFQUBEH-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001167812556 1383746487 /nfs/dbraw/zinc/74/64/87/1383746487.db2.gz PFCZIJLGRHUWRX-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@]2(COC)C1 ZINC001167821053 1383748891 /nfs/dbraw/zinc/74/88/91/1383748891.db2.gz AEZYGCYXCQQQID-GBESFXJTSA-N 2 0 326.525 3.014 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001167824980 1383749432 /nfs/dbraw/zinc/74/94/32/1383749432.db2.gz POLHDMRIIHHTDD-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC2(CN(Cc3ccccc3)C2)C1 ZINC001167838212 1383756150 /nfs/dbraw/zinc/75/61/50/1383756150.db2.gz RRLYXUYAMAOZBR-LJQANCHMSA-N 2 0 329.532 3.315 20 0 EGADRP CC(C)(C)c1ccc(Br)c(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167880883 1383765146 /nfs/dbraw/zinc/76/51/46/1383765146.db2.gz AMUQNRJRRKMMIT-UHFFFAOYSA-N 2 0 341.297 3.422 20 0 EGADRP c1csc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)CC3)C2)c1 ZINC001167927321 1383771642 /nfs/dbraw/zinc/77/16/42/1383771642.db2.gz LTAJDEIYYKANDG-BJWYYQGGSA-N 2 0 332.513 3.213 20 0 EGADRP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167968559 1383781628 /nfs/dbraw/zinc/78/16/28/1383781628.db2.gz RLVGNDHXSVZQPL-IHWFROFDSA-N 2 0 327.472 3.140 20 0 EGADRP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)Nc1ccc(F)cc1 ZINC001167968631 1383781710 /nfs/dbraw/zinc/78/17/10/1383781710.db2.gz ULIANWZKMGKIDL-YQQQUEKLSA-N 2 0 345.462 3.149 20 0 EGADRP CC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011291 1383796690 /nfs/dbraw/zinc/79/66/90/1383796690.db2.gz NFMCZUONMCLQFT-UPHUGPLXSA-N 2 0 343.515 3.029 20 0 EGADRP COC(CCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001168024306 1383799650 /nfs/dbraw/zinc/79/96/50/1383799650.db2.gz DZCQCWVLZOOPBY-IRXDYDNUSA-N 2 0 334.504 3.417 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCOc2ccncc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034989 1383801066 /nfs/dbraw/zinc/80/10/66/1383801066.db2.gz RZUUHQMEDAZSKI-OPVJXMOQSA-N 2 0 339.483 3.492 20 0 EGADRP C[C@@H]1CC(NC2(C(=O)N(C)C)CCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033288 1383801109 /nfs/dbraw/zinc/80/11/09/1383801109.db2.gz KQFKJORREIMOPD-IAGOWNOFSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@H]1CC([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047043 1383803741 /nfs/dbraw/zinc/80/37/41/1383803741.db2.gz QEHWZUGVQGXXSS-MMKMLUHNSA-N 3 0 341.543 3.312 20 0 EGADRP CC[C@H]([NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001168162912 1383829655 /nfs/dbraw/zinc/82/96/55/1383829655.db2.gz WUQYMVGMHPHUJH-IBGZPJMESA-N 2 0 343.515 3.110 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168200868 1383842205 /nfs/dbraw/zinc/84/22/05/1383842205.db2.gz VYCTUBIILLKGRR-ARJAWSKDSA-N 2 0 349.563 3.485 20 0 EGADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001168202028 1383842524 /nfs/dbraw/zinc/84/25/24/1383842524.db2.gz PTMPYDOFTSXITD-UHFFFAOYSA-N 2 0 326.525 3.410 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CC3CCC3)CC1)C2 ZINC001168251258 1383853741 /nfs/dbraw/zinc/85/37/41/1383853741.db2.gz GPHHTHMMIKGOKH-FQEVSTJZSA-N 2 0 328.500 3.264 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001168298225 1383866563 /nfs/dbraw/zinc/86/65/63/1383866563.db2.gz GILABTSXOKLNAS-UHFFFAOYSA-N 2 0 333.495 3.253 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297301 1383866708 /nfs/dbraw/zinc/86/67/08/1383866708.db2.gz MRPKPIHOHCQAMX-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001168305352 1383868578 /nfs/dbraw/zinc/86/85/78/1383868578.db2.gz IOVDMVIOJUZNDB-UHFFFAOYSA-N 3 0 335.923 3.463 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001168314465 1383871860 /nfs/dbraw/zinc/87/18/60/1383871860.db2.gz LQRUQUQAUQSFMF-RJYAGPCLSA-N 2 0 339.524 3.238 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001168326776 1383873226 /nfs/dbraw/zinc/87/32/26/1383873226.db2.gz JMSSLWWBBUDKSK-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324649 1383873406 /nfs/dbraw/zinc/87/34/06/1383873406.db2.gz SQASTJVSXLEHCE-JUVOFCAFSA-N 2 0 339.524 3.237 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001168326533 1383873588 /nfs/dbraw/zinc/87/35/88/1383873588.db2.gz ACWOZJZICLHZCN-LZBANZJXSA-N 3 0 341.543 3.457 20 0 EGADRP C[C@H](c1ccc(F)cc1)N1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168334487 1383876352 /nfs/dbraw/zinc/87/63/52/1383876352.db2.gz SWLVYQFDVFSCCT-PBPGXSGUSA-N 2 0 333.495 3.377 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335851 1383876545 /nfs/dbraw/zinc/87/65/45/1383876545.db2.gz WOYUSIOLAWESOJ-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccccc1C[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168365677 1383884880 /nfs/dbraw/zinc/88/48/80/1383884880.db2.gz DDKONGOAKPKRMT-NRFANRHFSA-N 2 0 327.516 3.033 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168371609 1383887468 /nfs/dbraw/zinc/88/74/68/1383887468.db2.gz PJQZJHNNIBIXKL-GCJKJVERSA-N 2 0 341.543 3.361 20 0 EGADRP c1cn(C2CC[NH+](CC3CC3)CC2)c2ccc(N3CC[NH2+]CC3)cc12 ZINC001168388268 1383891468 /nfs/dbraw/zinc/89/14/68/1383891468.db2.gz CYSNFMXUGWCBGI-UHFFFAOYSA-N 2 0 338.499 3.098 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](CCN3C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168394803 1383894433 /nfs/dbraw/zinc/89/44/33/1383894433.db2.gz HQBJPJAHTYYDDS-UNMCSNQZSA-N 2 0 339.527 3.067 20 0 EGADRP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001168456876 1383911165 /nfs/dbraw/zinc/91/11/65/1383911165.db2.gz YQVWAFDOGLSGEE-KRWDZBQOSA-N 2 0 341.474 3.298 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001168465180 1383913798 /nfs/dbraw/zinc/91/37/98/1383913798.db2.gz PLZKYRPLLXOOMY-MRXNPFEDSA-N 2 0 330.447 3.487 20 0 EGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168483847 1383919157 /nfs/dbraw/zinc/91/91/57/1383919157.db2.gz BDTXRKGRTCUQAV-INIZCTEOSA-N 2 0 344.478 3.309 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CCc1ccc(C)cc1 ZINC001168596713 1383945153 /nfs/dbraw/zinc/94/51/53/1383945153.db2.gz ZBLIZODJPYYUJJ-UHFFFAOYSA-N 2 0 347.547 3.146 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CCCC1CCC1 ZINC001168606823 1383947142 /nfs/dbraw/zinc/94/71/42/1383947142.db2.gz MIRWXEGSONPHKT-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC001168653251 1383959625 /nfs/dbraw/zinc/95/96/25/1383959625.db2.gz PGYGOUDAGTUISB-HKUYNNGSSA-N 2 0 333.520 3.210 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CCCC1CCC1)C(C)C ZINC001168666805 1383964749 /nfs/dbraw/zinc/96/47/49/1383964749.db2.gz MGNJSYGSTVNCDT-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC001307686149 1384013269 /nfs/dbraw/zinc/01/32/69/1384013269.db2.gz JQEBSQXLSHLRRO-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H]1C[C@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CN1C(=O)OC(C)(C)C ZINC001168812081 1384015959 /nfs/dbraw/zinc/01/59/59/1384015959.db2.gz PPLVVAGYIPXMGR-ZFWWWQNUSA-N 2 0 339.524 3.365 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001168837650 1384028164 /nfs/dbraw/zinc/02/81/64/1384028164.db2.gz CIZDLEJQUBCJFD-OTBWCIGPSA-N 2 0 339.524 3.094 20 0 EGADRP CCN(CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC001307862487 1384045674 /nfs/dbraw/zinc/04/56/74/1384045674.db2.gz AIRYBXGKJMJZAL-KRWDZBQOSA-N 2 0 346.437 3.271 20 0 EGADRP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001169049481 1384100794 /nfs/dbraw/zinc/10/07/94/1384100794.db2.gz IIOCDHBQJNCGSB-FQEVSTJZSA-N 2 0 331.548 3.259 20 0 EGADRP Cc1cc(F)cc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169108812 1384108303 /nfs/dbraw/zinc/10/83/03/1384108303.db2.gz CKFLADHVWFVACH-MZADTFQBSA-N 2 0 345.506 3.313 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3cccc(Cl)c3)C1)C2 ZINC001169114826 1384108460 /nfs/dbraw/zinc/10/84/60/1384108460.db2.gz ZBHJBRZWDLWSLJ-CADBVGFASA-N 2 0 333.907 3.129 20 0 EGADRP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117374 1384109160 /nfs/dbraw/zinc/10/91/60/1384109160.db2.gz ZLYSQWHNQFFQSA-YXOJAJARSA-N 2 0 327.516 3.384 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1)C2 ZINC001169115352 1384109184 /nfs/dbraw/zinc/10/91/84/1384109184.db2.gz JELDUUCCAJIDNE-BGRQEXKUSA-N 2 0 335.536 3.065 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145566 1384114471 /nfs/dbraw/zinc/11/44/71/1384114471.db2.gz MZOHVQKTWCNSRD-CLAROIROSA-N 2 0 339.527 3.210 20 0 EGADRP COc1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169147644 1384114686 /nfs/dbraw/zinc/11/46/86/1384114686.db2.gz VKIVJNNTAXAZJA-FVQHAEBGSA-N 2 0 330.472 3.164 20 0 EGADRP CN([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001169155128 1384115955 /nfs/dbraw/zinc/11/59/55/1384115955.db2.gz YIIKUPJAXMWIBL-JSXRDJHFSA-N 2 0 327.516 3.208 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)C1 ZINC001169155101 1384116004 /nfs/dbraw/zinc/11/60/04/1384116004.db2.gz YBZJYFMPYQVUQD-OUUBHVDSSA-N 2 0 342.483 3.238 20 0 EGADRP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169163034 1384117798 /nfs/dbraw/zinc/11/77/98/1384117798.db2.gz XCTRTJWDDAIDJX-MANSERQUSA-N 2 0 328.456 3.235 20 0 EGADRP Cc1cc(-n2ccc([C@H](C)[NH3+])n2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001169228402 1384124816 /nfs/dbraw/zinc/12/48/16/1384124816.db2.gz PZSJIKQDPDFNAK-INIZCTEOSA-N 2 0 347.466 3.154 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001169238424 1384126112 /nfs/dbraw/zinc/12/61/12/1384126112.db2.gz HZTZMBJVWORONI-UHFFFAOYSA-N 3 0 333.495 3.112 20 0 EGADRP CC[NH+]1CCC(N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130568 /nfs/dbraw/zinc/13/05/68/1384130568.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 2 0 341.543 3.315 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001169434597 1384148152 /nfs/dbraw/zinc/14/81/52/1384148152.db2.gz JENFPDRTZJZZJU-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169672348 1384171499 /nfs/dbraw/zinc/17/14/99/1384171499.db2.gz OETGHHFVASKQKC-KZNAEPCWSA-N 2 0 339.524 3.225 20 0 EGADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169746163 1384181879 /nfs/dbraw/zinc/18/18/79/1384181879.db2.gz QUAKPYQXTQHEMZ-UFYCRDLUSA-N 2 0 343.515 3.272 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169810061 1384187565 /nfs/dbraw/zinc/18/75/65/1384187565.db2.gz NYQAFPYQBMGELP-PXNSSMCTSA-N 2 0 345.531 3.108 20 0 EGADRP CC[C@H]1C[C@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)CCO1 ZINC001170193716 1384260724 /nfs/dbraw/zinc/26/07/24/1384260724.db2.gz SAIISNPWNUJUNY-BATLZEKGSA-N 2 0 336.460 3.080 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001170432149 1384317784 /nfs/dbraw/zinc/31/77/84/1384317784.db2.gz QMRMQIKNKHKLOG-NXHRZFHOSA-N 2 0 332.488 3.445 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2cccc(N3CC[NH2+]CC3)c2)CC1(C)C ZINC001170451382 1384322598 /nfs/dbraw/zinc/32/25/98/1384322598.db2.gz LILDYMGICFFQKJ-UHFFFAOYSA-N 2 0 330.520 3.160 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170529581 1384335861 /nfs/dbraw/zinc/33/58/61/1384335861.db2.gz NXTCEECIUYALMG-VBSBHUPXSA-N 2 0 344.499 3.409 20 0 EGADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001170679388 1384363133 /nfs/dbraw/zinc/36/31/33/1384363133.db2.gz PRNXDKGESJYVKD-WMLDXEAASA-N 2 0 333.439 3.379 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170749888 1384377562 /nfs/dbraw/zinc/37/75/62/1384377562.db2.gz DHDADQJLWYBZHE-MSOLQXFVSA-N 2 0 325.541 3.170 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170870824 1384401886 /nfs/dbraw/zinc/40/18/86/1384401886.db2.gz KAOIIUAIXVAYRC-XCLUONLBSA-N 2 0 337.552 3.338 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171068125 1384440369 /nfs/dbraw/zinc/44/03/69/1384440369.db2.gz CIHRANIHEPKSMG-AWEZNQCLSA-N 2 0 325.522 3.096 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171068832 1384440847 /nfs/dbraw/zinc/44/08/47/1384440847.db2.gz LFFQMILRIFKAOW-IRXDYDNUSA-N 2 0 331.520 3.121 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171069774 1384441079 /nfs/dbraw/zinc/44/10/79/1384441079.db2.gz VBMNEYKEEZKKBF-OAHLLOKOSA-N 2 0 339.549 3.488 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001316606007 1384474023 /nfs/dbraw/zinc/47/40/23/1384474023.db2.gz MEXQUMBCDYDCMN-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171236514 1384476554 /nfs/dbraw/zinc/47/65/54/1384476554.db2.gz NGICEQQOODSRPA-OALUTQOASA-N 2 0 339.568 3.419 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254326 1384479844 /nfs/dbraw/zinc/47/98/44/1384479844.db2.gz RAJYIMSRAOKQQJ-MRXNPFEDSA-N 2 0 325.541 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254562 1384479973 /nfs/dbraw/zinc/47/99/73/1384479973.db2.gz UNYGDMKBYMPHPC-DKFQHHCZSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1)[NH+](C)C ZINC001171359488 1384502305 /nfs/dbraw/zinc/50/23/05/1384502305.db2.gz RTNDALOPMDPIKJ-HKUYNNGSSA-N 2 0 339.568 3.418 20 0 EGADRP [NH3+]CCC1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171523027 1384550432 /nfs/dbraw/zinc/55/04/32/1384550432.db2.gz XLTWLZQPEMOLEZ-UBHUBRDASA-N 2 0 326.406 3.458 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171538192 1384556261 /nfs/dbraw/zinc/55/62/61/1384556261.db2.gz KRAZJIOCDYHGGM-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001171558100 1384562054 /nfs/dbraw/zinc/56/20/54/1384562054.db2.gz CLXBERLAAGRBEM-HXUWFJFHSA-N 2 0 342.527 3.333 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])C2 ZINC001171559824 1384562258 /nfs/dbraw/zinc/56/22/58/1384562258.db2.gz ODHWEAGLSDTOBR-GOSISDBHSA-N 2 0 331.548 3.328 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C)c1 ZINC001171578776 1384570390 /nfs/dbraw/zinc/57/03/90/1384570390.db2.gz IGTDLAUSDDHCNM-SFHVURJKSA-N 2 0 333.520 3.192 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F)ccc2c[nH+]cn21 ZINC001171629343 1384585824 /nfs/dbraw/zinc/58/58/24/1384585824.db2.gz LXKLBMBNFSQQJB-CABCVRRESA-N 2 0 348.466 3.269 20 0 EGADRP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637264 1384587792 /nfs/dbraw/zinc/58/77/92/1384587792.db2.gz LQXDKQKIRZPGFM-FXAWDEMLSA-N 2 0 338.536 3.298 20 0 EGADRP CC(C)C(=O)N1CC[C@@H]2C[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@H]21 ZINC001171637254 1384587939 /nfs/dbraw/zinc/58/79/39/1384587939.db2.gz LLJFBSZCSKPTCI-SJLPKXTDSA-N 2 0 349.563 3.217 20 0 EGADRP CC[N@H+](CCNC(=O)OC(C)(C)C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642254 1384590413 /nfs/dbraw/zinc/59/04/13/1384590413.db2.gz HZSPOEMWDIDYQU-UHFFFAOYSA-N 2 0 341.540 3.484 20 0 EGADRP CC(=O)N(C(C)C)C1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171643026 1384590518 /nfs/dbraw/zinc/59/05/18/1384590518.db2.gz PNPVCGOLBKEGQW-UHFFFAOYSA-N 2 0 337.552 3.359 20 0 EGADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC001171662508 1384594842 /nfs/dbraw/zinc/59/48/42/1384594842.db2.gz BSEAZUXUPDOAMQ-FUHWJXTLSA-N 2 0 349.519 3.495 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669007 1384597134 /nfs/dbraw/zinc/59/71/34/1384597134.db2.gz PMBDXPPWYVAULI-GOSISDBHSA-N 2 0 337.552 3.460 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001171673750 1384597761 /nfs/dbraw/zinc/59/77/61/1384597761.db2.gz FRRHBWYYVJKYEF-QGZVFWFLSA-N 2 0 341.515 3.019 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674620 1384598386 /nfs/dbraw/zinc/59/83/86/1384598386.db2.gz PEPVOPANIPVDNW-XDXAGZTOSA-N 2 0 335.536 3.236 20 0 EGADRP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001171675346 1384598713 /nfs/dbraw/zinc/59/87/13/1384598713.db2.gz PYHVDZXTCMOAGR-SESVDKBCSA-N 2 0 329.532 3.026 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCc2cnn(C(C)C)c21 ZINC001329023502 1388933951 /nfs/dbraw/zinc/93/39/51/1388933951.db2.gz JJWZLVQPGPEZAB-KBXCAEBGSA-N 2 0 327.476 3.354 20 0 EGADRP CC[N@@H+]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975298 1384700416 /nfs/dbraw/zinc/70/04/16/1384700416.db2.gz BPTFQYKZCWWFSL-FQEVSTJZSA-N 2 0 329.532 3.457 20 0 EGADRP CC1(C)C[C@H](N2C[C@H](CO)C[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976247 1384700778 /nfs/dbraw/zinc/70/07/78/1384700778.db2.gz JOJBJYGXOWJWLC-CEXWTWQISA-N 2 0 334.479 3.082 20 0 EGADRP CC1(C)C[C@@H](N2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985774 1384704430 /nfs/dbraw/zinc/70/44/30/1384704430.db2.gz ZQFJIVXGRANGPX-PMACEKPBSA-N 2 0 327.516 3.210 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001316936147 1384707982 /nfs/dbraw/zinc/70/79/82/1384707982.db2.gz RIKVQGKCZQDUSX-IEBWSBKVSA-N 2 0 339.568 3.178 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063624 1384715606 /nfs/dbraw/zinc/71/56/06/1384715606.db2.gz CHGIHOOMHZFSOD-ADAARDCZSA-N 2 0 328.500 3.465 20 0 EGADRP OCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172065165 1384715905 /nfs/dbraw/zinc/71/59/05/1384715905.db2.gz LYPONTDZMDUFSQ-OWZKRDHZSA-N 2 0 328.500 3.467 20 0 EGADRP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076753 1384719261 /nfs/dbraw/zinc/71/92/61/1384719261.db2.gz HNNLPYLSZZWCCD-WKCHPHFGSA-N 2 0 327.516 3.210 20 0 EGADRP CN([C@H]1CC[N@H+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074550 1384719857 /nfs/dbraw/zinc/71/98/57/1384719857.db2.gz JEIPQTZRCGRNPM-WOZUAGRISA-N 2 0 327.516 3.208 20 0 EGADRP Cn1cc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172074063 1384720874 /nfs/dbraw/zinc/72/08/74/1384720874.db2.gz TXBIOGSJIUUQDD-WKCHPHFGSA-N 2 0 338.499 3.138 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103605 1384727530 /nfs/dbraw/zinc/72/75/30/1384727530.db2.gz WFUHTWDTNKGTQY-NCYKPQTJSA-N 2 0 327.516 3.256 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001172107693 1384728700 /nfs/dbraw/zinc/72/87/00/1384728700.db2.gz ATMAPRCECLNSPL-REPLKXPHSA-N 2 0 331.479 3.091 20 0 EGADRP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112725 1384731755 /nfs/dbraw/zinc/73/17/55/1384731755.db2.gz ZAGITTGKHOZYSQ-RDGPPVDQSA-N 2 0 337.552 3.168 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001172118490 1384732697 /nfs/dbraw/zinc/73/26/97/1384732697.db2.gz QXHFSNFEUQTGNY-YVSFHVDLSA-N 2 0 339.524 3.141 20 0 EGADRP COc1cc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc(OC)c1OC ZINC001172125024 1384736449 /nfs/dbraw/zinc/73/64/49/1384736449.db2.gz NUGOPXZGJLMCNB-BJWYYQGGSA-N 2 0 348.487 3.160 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC3(CC[NH2+]CC3)c3ccccc31)C2 ZINC001172129058 1384737993 /nfs/dbraw/zinc/73/79/93/1384737993.db2.gz VVANWAYZFBSCEH-PIIMJCKOSA-N 2 0 325.500 3.143 20 0 EGADRP O=C1CC[C@@H]2C[C@@H]([NH2+]CC3CC[NH+](CC4CCCCC4)CC3)CCN12 ZINC001172163776 1384740473 /nfs/dbraw/zinc/74/04/73/1384740473.db2.gz XDGHAJREXIHCOI-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172201863 1384747055 /nfs/dbraw/zinc/74/70/55/1384747055.db2.gz ORBKGUKLCDFECC-LNLFQRSKSA-N 2 0 346.540 3.454 20 0 EGADRP c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CS2 ZINC001172204494 1384747556 /nfs/dbraw/zinc/74/75/56/1384747556.db2.gz PQUJWDUOSOYHOM-KRWDZBQOSA-N 2 0 325.481 3.357 20 0 EGADRP COCCC[NH+]1CCC(n2cc(C[C@@H](C)[NH3+])c3ccccc32)CC1 ZINC001172245864 1384754940 /nfs/dbraw/zinc/75/49/40/1384754940.db2.gz CBYNRDJUMORWDR-MRXNPFEDSA-N 2 0 329.488 3.204 20 0 EGADRP COCCC[NH+]1CCC(Nc2ccc(C[NH3+])cc2C(F)(F)F)CC1 ZINC001172247117 1384755527 /nfs/dbraw/zinc/75/55/27/1384755527.db2.gz DYUCNPIYVHZGNR-UHFFFAOYSA-N 2 0 345.409 3.077 20 0 EGADRP C[NH2+]CCc1cn(C2CC[NH+](CCCOC)CC2)c2ccccc12 ZINC001172254784 1384757186 /nfs/dbraw/zinc/75/71/86/1384757186.db2.gz XGGTWEABOBKUPF-UHFFFAOYSA-N 2 0 329.488 3.077 20 0 EGADRP COc1ccc(CC2([NH3+])CC[NH+]([C@@H](C)CCOC(C)C)CC2)cc1 ZINC001172436187 1384790914 /nfs/dbraw/zinc/79/09/14/1384790914.db2.gz AYFFQKUYTYOCLA-KRWDZBQOSA-N 2 0 334.504 3.235 20 0 EGADRP CCCC[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172622758 1384821203 /nfs/dbraw/zinc/82/12/03/1384821203.db2.gz NNSDQPRDUVIPOS-IAGOWNOFSA-N 2 0 341.540 3.486 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172742667 1384841246 /nfs/dbraw/zinc/84/12/46/1384841246.db2.gz PMKTWLVNNBAWFQ-KRWDZBQOSA-N 2 0 332.488 3.492 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172754781 1384843798 /nfs/dbraw/zinc/84/37/98/1384843798.db2.gz YEYNNUMESFCANP-KRWDZBQOSA-N 2 0 347.503 3.004 20 0 EGADRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172829370 1384860184 /nfs/dbraw/zinc/86/01/84/1384860184.db2.gz AKFQSTLXCWOYAL-YADHBBJMSA-N 2 0 342.527 3.428 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172943960 1384885532 /nfs/dbraw/zinc/88/55/32/1384885532.db2.gz MSVQJFBSYGIJTA-INIZCTEOSA-N 2 0 341.540 3.342 20 0 EGADRP [NH3+]C1(Cc2cccnc2)CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173044835 1384899085 /nfs/dbraw/zinc/89/90/85/1384899085.db2.gz XPGZUPRCGWNABT-UHFFFAOYSA-N 2 0 343.515 3.157 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075359 1384908572 /nfs/dbraw/zinc/90/85/72/1384908572.db2.gz KOSUPEAMDCSLOS-HOTGVXAUSA-N 2 0 327.513 3.048 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173105058 1384915681 /nfs/dbraw/zinc/91/56/81/1384915681.db2.gz OTZSYIKXXQFHRU-AQFXKWCLSA-N 2 0 339.524 3.238 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001173108327 1384916450 /nfs/dbraw/zinc/91/64/50/1384916450.db2.gz BQPDLGIBDIKPHO-LMPOIIKSSA-N 2 0 336.442 3.275 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cc4c(cc3C2)OCO4)CC1 ZINC001173109284 1384916465 /nfs/dbraw/zinc/91/64/65/1384916465.db2.gz GAFIJACHYVFGFZ-UHFFFAOYSA-N 2 0 330.472 3.426 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]([C@H](N)C(F)(F)F)C2)CC1 ZINC001173109752 1384916965 /nfs/dbraw/zinc/91/69/65/1384916965.db2.gz GFCGOOUUGBNLKQ-LBDPXKHJSA-N 2 0 335.458 3.241 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+](C)CC(=O)OCc2ccccc2)CC1 ZINC001173112719 1384917986 /nfs/dbraw/zinc/91/79/86/1384917986.db2.gz CFFXLSFLBBTRGX-UHFFFAOYSA-N 2 0 332.488 3.315 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCCN(C(=O)CC(C)C)CC2)CC1 ZINC001173113538 1384918042 /nfs/dbraw/zinc/91/80/42/1384918042.db2.gz SXTBUCPNRBWSKQ-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)C1CCC(N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001173117828 1384918620 /nfs/dbraw/zinc/91/86/20/1384918620.db2.gz ZGCSKOFVTRMDMH-WZOJCFFYSA-N 2 0 325.516 3.148 20 0 EGADRP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001173174812 1384930896 /nfs/dbraw/zinc/93/08/96/1384930896.db2.gz CTKRSTFCUBDQIM-ZIBCJSCZSA-N 2 0 328.500 3.398 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCC2)CCC1 ZINC001317173038 1384941595 /nfs/dbraw/zinc/94/15/95/1384941595.db2.gz MBVRJDPMSBTTQW-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001173355043 1384963608 /nfs/dbraw/zinc/96/36/08/1384963608.db2.gz WGLRVSMDKZQUEK-MRXNPFEDSA-N 2 0 341.421 3.049 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001317196848 1384970910 /nfs/dbraw/zinc/97/09/10/1384970910.db2.gz HOGFUYSDKNTRNR-SFHVURJKSA-N 2 0 349.494 3.028 20 0 EGADRP COC(=O)CCCC[C@H](C)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173443482 1384971212 /nfs/dbraw/zinc/97/12/12/1384971212.db2.gz QPHYJQQZMZJADH-WDSOQIARSA-N 2 0 347.503 3.275 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]Cc1ccc(C[NH+](C)C)cc1)CC2 ZINC001173598962 1384985181 /nfs/dbraw/zinc/98/51/81/1384985181.db2.gz HXZXKVXIOYZUIV-SCCNAQOGSA-N 2 0 344.499 3.350 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]CC1CC[NH+](C(C)C)CC1)CC2 ZINC001173605748 1384986205 /nfs/dbraw/zinc/98/62/05/1384986205.db2.gz YTZBYKLUOULAFQ-QPIRBTGLSA-N 2 0 336.520 3.208 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CC[NH+](CC3CCC3)CC1)CC2 ZINC001173604326 1384986689 /nfs/dbraw/zinc/98/66/89/1384986689.db2.gz MGFMLRFKQJSCAZ-BIXGBWIQSA-N 2 0 348.531 3.353 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)C1 ZINC001173630599 1384991967 /nfs/dbraw/zinc/99/19/67/1384991967.db2.gz AANDFDNPTKEERN-WMZOPIPTSA-N 2 0 330.472 3.058 20 0 EGADRP C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173672136 1385001045 /nfs/dbraw/zinc/00/10/45/1385001045.db2.gz LRDZALVRBCWNOV-APIJFGDWSA-N 2 0 325.497 3.022 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173715190 1385007644 /nfs/dbraw/zinc/00/76/44/1385007644.db2.gz UBDPMQDBHCAMPB-YSSFQJQWSA-N 2 0 344.499 3.386 20 0 EGADRP [NH3+]CCCCCCCCCCC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173752209 1385013048 /nfs/dbraw/zinc/01/30/48/1385013048.db2.gz OWYZLFVGKNVSCW-ROUUACIJSA-N 2 0 336.528 3.216 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001317280350 1385050515 /nfs/dbraw/zinc/05/05/15/1385050515.db2.gz QYAMZPALLLSKDK-UZLBHIALSA-N 2 0 341.499 3.020 20 0 EGADRP COc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1Cl ZINC001174153044 1385067194 /nfs/dbraw/zinc/06/71/94/1385067194.db2.gz QLAXSGKBZBMOGF-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001317416382 1385125806 /nfs/dbraw/zinc/12/58/06/1385125806.db2.gz VCKGQEXHMGCHRS-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649324 1385129954 /nfs/dbraw/zinc/12/99/54/1385129954.db2.gz DHBDWGAEYSKQMS-KRWDZBQOSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174882884 1385164998 /nfs/dbraw/zinc/16/49/98/1385164998.db2.gz XOZDGRMVFMUBPT-IEBWSBKVSA-N 2 0 337.552 3.457 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905851 1385168370 /nfs/dbraw/zinc/16/83/70/1385168370.db2.gz OOBNGZFDYIJWGW-LNLFQRSKSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174927122 1385171102 /nfs/dbraw/zinc/17/11/02/1385171102.db2.gz ARLDEDLZGXCADH-ROUUACIJSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001174962996 1385175601 /nfs/dbraw/zinc/17/56/01/1385175601.db2.gz WROWMRGCOAMONT-FXAWDEMLSA-N 2 0 345.531 3.280 20 0 EGADRP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)c1cccc(C)c1 ZINC001317481182 1385177378 /nfs/dbraw/zinc/17/73/78/1385177378.db2.gz HGIVYRZOGVFHOK-SFHVURJKSA-N 2 0 343.515 3.123 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001175049346 1385186513 /nfs/dbraw/zinc/18/65/13/1385186513.db2.gz UKBDKHZVCXBELY-ZWKOTPCHSA-N 2 0 333.520 3.272 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001175057329 1385187623 /nfs/dbraw/zinc/18/76/23/1385187623.db2.gz ZZYHEMUBACBWPE-JKSUJKDBSA-N 2 0 337.483 3.103 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262705 1385233138 /nfs/dbraw/zinc/23/31/38/1385233138.db2.gz KDZHSRKYYRBXDF-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262649 1385233828 /nfs/dbraw/zinc/23/38/28/1385233828.db2.gz JCGJJWAJRHKBMM-ROUUACIJSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271843 1385237354 /nfs/dbraw/zinc/23/73/54/1385237354.db2.gz FTZOUOLRFBOSIF-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CC1 ZINC001317547934 1385300174 /nfs/dbraw/zinc/30/01/74/1385300174.db2.gz QBSHVNMOANGIJS-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175564679 1385333692 /nfs/dbraw/zinc/33/36/92/1385333692.db2.gz DHQQBJNDOKNSMJ-IEPXPHTDSA-N 2 0 343.943 3.268 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001175574038 1385336262 /nfs/dbraw/zinc/33/62/62/1385336262.db2.gz SYNULKKFLPCQDT-GJGKEFFFSA-N 2 0 343.943 3.266 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581181 1385338620 /nfs/dbraw/zinc/33/86/20/1385338620.db2.gz IDNBUEJCZCHSAA-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)(C)C1CCC(C[NH2+]CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001176109730 1385486480 /nfs/dbraw/zinc/48/64/80/1385486480.db2.gz DOMNZYYAPBKEJU-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001176166581 1385500658 /nfs/dbraw/zinc/50/06/58/1385500658.db2.gz SKDDQMZKRKELEM-UYAOXDASSA-N 2 0 345.531 3.101 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192043 1385507475 /nfs/dbraw/zinc/50/74/75/1385507475.db2.gz CRYWVDZAYMVIDK-MRXNPFEDSA-N 2 0 334.508 3.216 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176269761 1385533536 /nfs/dbraw/zinc/53/35/36/1385533536.db2.gz XVKSXZAYYGXFGK-IBGZPJMESA-N 2 0 347.547 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176293174 1385541739 /nfs/dbraw/zinc/54/17/39/1385541739.db2.gz OPFXPUXVCGRAAC-IBGZPJMESA-N 2 0 347.547 3.226 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)c(C)c1 ZINC001176318894 1385550128 /nfs/dbraw/zinc/55/01/28/1385550128.db2.gz PGLKRXSEPVJJJH-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001176367184 1385565570 /nfs/dbraw/zinc/56/55/70/1385565570.db2.gz HDROLHQAADDVJI-NQIIRXRSSA-N 2 0 347.547 3.237 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566150 1385627413 /nfs/dbraw/zinc/62/74/13/1385627413.db2.gz YWVKOIUXRNQUBQ-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001176572965 1385629028 /nfs/dbraw/zinc/62/90/28/1385629028.db2.gz GRJVKKZCHQRLEF-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629545 1385643572 /nfs/dbraw/zinc/64/35/72/1385643572.db2.gz ZAWBVEWUNYITGB-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176736839 1385676422 /nfs/dbraw/zinc/67/64/22/1385676422.db2.gz FRHKEZFVKGICLA-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176753205 1385683934 /nfs/dbraw/zinc/68/39/34/1385683934.db2.gz CWDUKZNRVXLVBB-ROUUACIJSA-N 2 0 327.557 3.273 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1C ZINC001176754183 1385684079 /nfs/dbraw/zinc/68/40/79/1385684079.db2.gz SOTIRMGYKXJGPJ-LJQANCHMSA-N 2 0 347.547 3.408 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001176759620 1385686562 /nfs/dbraw/zinc/68/65/62/1385686562.db2.gz LWYFGEVACWXTSD-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C)c1 ZINC001176844621 1385722081 /nfs/dbraw/zinc/72/20/81/1385722081.db2.gz MHEDOCOFZTYJSD-RTBURBONSA-N 2 0 345.531 3.081 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176890606 1385735071 /nfs/dbraw/zinc/73/50/71/1385735071.db2.gz YFEIDMYFBFMJBW-SREVYHEPSA-N 2 0 331.504 3.204 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001176934173 1385747709 /nfs/dbraw/zinc/74/77/09/1385747709.db2.gz QRGFBYKBGVFEJK-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001176938640 1385748619 /nfs/dbraw/zinc/74/86/19/1385748619.db2.gz SWLROBDPDUDIKS-LJQANCHMSA-N 2 0 349.494 3.249 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948196 1385751242 /nfs/dbraw/zinc/75/12/42/1385751242.db2.gz KDWAMDXPXANBNS-QGZVFWFLSA-N 2 0 333.520 3.140 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001176948455 1385752632 /nfs/dbraw/zinc/75/26/32/1385752632.db2.gz XYHUQTZIDJQRPE-UHFFFAOYSA-N 2 0 333.520 3.284 20 0 EGADRP Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997429 1385768527 /nfs/dbraw/zinc/76/85/27/1385768527.db2.gz NRZLKROVYQIRGU-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177266331 1385890040 /nfs/dbraw/zinc/89/00/40/1385890040.db2.gz DPAWZDFEHRIFNF-SGSXCFNPSA-N 2 0 349.563 3.435 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001318983842 1385909606 /nfs/dbraw/zinc/90/96/06/1385909606.db2.gz OGCISTWOSHJMPT-WGSAOQKQSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001177317321 1385911861 /nfs/dbraw/zinc/91/18/61/1385911861.db2.gz UNGQFFBBLDXZRZ-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](F)C[NH+](CC)CC ZINC001177330867 1385916566 /nfs/dbraw/zinc/91/65/66/1385916566.db2.gz SJITZCOTYBDERP-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001177330392 1385916923 /nfs/dbraw/zinc/91/69/23/1385916923.db2.gz ARKWLUZGMHCYDQ-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001177348207 1385923500 /nfs/dbraw/zinc/92/35/00/1385923500.db2.gz CPDIWRLQRMOZJZ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1)[NH+](C)C ZINC001177348995 1385924335 /nfs/dbraw/zinc/92/43/35/1385924335.db2.gz TVYCOAJBGBMURQ-CGICMKJESA-N 2 0 343.943 3.078 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CCC[NH2+]CC)CC2CCCC2)C1 ZINC001177394515 1385941711 /nfs/dbraw/zinc/94/17/11/1385941711.db2.gz HZGDXTSSSKCMQJ-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP C[NH+](C)CCCC(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177402390 1385943861 /nfs/dbraw/zinc/94/38/61/1385943861.db2.gz LATNNEHGCDNMBK-WDZFZDKYSA-N 2 0 343.943 3.079 20 0 EGADRP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+](C)C ZINC001177405019 1385944805 /nfs/dbraw/zinc/94/48/05/1385944805.db2.gz FDOSDMGMUJUGGS-WAYWQWQTSA-N 2 0 337.552 3.293 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001178045343 1386114773 /nfs/dbraw/zinc/11/47/73/1386114773.db2.gz JBBQKUAHQLYFAL-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178467876 1386226346 /nfs/dbraw/zinc/22/63/46/1386226346.db2.gz JMTUYSHNMCJNKV-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)C)CC[N@@H+]1C ZINC001178527418 1386241744 /nfs/dbraw/zinc/24/17/44/1386241744.db2.gz LKGOYBINCGDWHS-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698644 1386281394 /nfs/dbraw/zinc/28/13/94/1386281394.db2.gz PMSXOPFWMQSWCE-RURPWVQCSA-N 2 0 337.552 3.339 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001178698688 1386281701 /nfs/dbraw/zinc/28/17/01/1386281701.db2.gz QUCSLUYGJDWNFW-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698734 1386282446 /nfs/dbraw/zinc/28/24/46/1386282446.db2.gz SFVAOHJGZORHNI-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178705063 1386284540 /nfs/dbraw/zinc/28/45/40/1386284540.db2.gz BOFMSCUVBVFTGK-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001319791828 1386299526 /nfs/dbraw/zinc/29/95/26/1386299526.db2.gz DSPRHEFRWGQWEP-UHFFFAOYSA-N 2 0 330.394 3.401 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001178811411 1386314092 /nfs/dbraw/zinc/31/40/92/1386314092.db2.gz UYBQOKDTZPVHGA-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001178816262 1386315840 /nfs/dbraw/zinc/31/58/40/1386315840.db2.gz ZNRQILWDCUHKGJ-HXUWFJFHSA-N 2 0 347.547 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001319827634 1386321627 /nfs/dbraw/zinc/32/16/27/1386321627.db2.gz RGRWGXRBENPXBQ-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001178853990 1386329816 /nfs/dbraw/zinc/32/98/16/1386329816.db2.gz RXCHKKOGPQEMBE-UHFFFAOYSA-N 2 0 347.494 3.028 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179139844 1386408594 /nfs/dbraw/zinc/40/85/94/1386408594.db2.gz RPGIUBWLIZCCDH-QGZVFWFLSA-N 2 0 343.531 3.265 20 0 EGADRP C[NH+](C)C1(CC(=O)NCCCCCC[NH2+]C/C=C/Cl)CCCC1 ZINC001179138936 1386408603 /nfs/dbraw/zinc/40/86/03/1386408603.db2.gz FFDSBOMQJSVCAW-FMIVXFBMSA-N 2 0 343.943 3.270 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C)[NH+](C)C ZINC001319955021 1386414815 /nfs/dbraw/zinc/41/48/15/1386414815.db2.gz BTWVIEQDZPUXEF-MSOLQXFVSA-N 2 0 339.568 3.273 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179388441 1386471525 /nfs/dbraw/zinc/47/15/25/1386471525.db2.gz GVOFPPPCQNNAJI-PMEOWRCESA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001179463701 1386487750 /nfs/dbraw/zinc/48/77/50/1386487750.db2.gz HZBDXYFORHQLJO-LJQANCHMSA-N 2 0 333.520 3.356 20 0 EGADRP CCCc1ccc(C[NH2+]CCCCCCNC(=O)CC[NH+](C)C)cc1 ZINC001179461469 1386488131 /nfs/dbraw/zinc/48/81/31/1386488131.db2.gz LODURWGXBFGECE-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1C1CC1 ZINC001179464525 1386488589 /nfs/dbraw/zinc/48/85/89/1386488589.db2.gz WGMLNXDLOZFEAZ-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C)C1 ZINC001179464370 1386488714 /nfs/dbraw/zinc/48/87/14/1386488714.db2.gz SKVKBAKFHABISR-RTBURBONSA-N 2 0 339.568 3.421 20 0 EGADRP CCc1ccc(CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C)cc1 ZINC001179464051 1386488733 /nfs/dbraw/zinc/48/87/33/1386488733.db2.gz KKIYXHBEVPQSLW-UHFFFAOYSA-N 2 0 347.547 3.009 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CCc1ccccc1)[NH+](C)C ZINC001179499177 1386499491 /nfs/dbraw/zinc/49/94/91/1386499491.db2.gz NWYVVLGMEQPBFJ-HXUWFJFHSA-N 2 0 347.547 3.082 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C)[NH+](CC)CC ZINC001179516759 1386503891 /nfs/dbraw/zinc/50/38/91/1386503891.db2.gz JGXFHBWGTSPKIB-YTQUADARSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001179539065 1386510353 /nfs/dbraw/zinc/51/03/53/1386510353.db2.gz NPIPLMHPVRTGFX-PXNSSMCTSA-N 2 0 345.531 3.029 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC1CCC1)[NH+](CC)CC ZINC001179564571 1386515873 /nfs/dbraw/zinc/51/58/73/1386515873.db2.gz FGGNCVQCIJJQEB-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179585448 1386523068 /nfs/dbraw/zinc/52/30/68/1386523068.db2.gz HZXPWSOYFIHDSO-RBUKOAKNSA-N 2 0 339.568 3.277 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179593114 1386526709 /nfs/dbraw/zinc/52/67/09/1386526709.db2.gz WGTXLQYIDGWPHM-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609150 1386530564 /nfs/dbraw/zinc/53/05/64/1386530564.db2.gz KREWGLILCACPBM-GIFJBRJJSA-N 2 0 325.541 3.339 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001179609472 1386531359 /nfs/dbraw/zinc/53/13/59/1386531359.db2.gz QMEMMPIKYQXGIR-IBGZPJMESA-N 2 0 337.552 3.483 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001320155520 1386539782 /nfs/dbraw/zinc/53/97/82/1386539782.db2.gz SYXDJOKJHFSNKQ-VQTJNVASSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C1(C)C ZINC001320258034 1386564640 /nfs/dbraw/zinc/56/46/40/1386564640.db2.gz FFFHOBOJYJLTNR-UXHICEINSA-N 2 0 345.531 3.120 20 0 EGADRP C[C@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)[NH+]1CCCCCC1 ZINC001179746070 1386569866 /nfs/dbraw/zinc/56/98/66/1386569866.db2.gz NMYPNNWJGKAKAR-SXSDINLZSA-N 2 0 343.943 3.270 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179746809 1386571304 /nfs/dbraw/zinc/57/13/04/1386571304.db2.gz YNBNCMWGWUNCJB-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001179777187 1386581687 /nfs/dbraw/zinc/58/16/87/1386581687.db2.gz PSUOCNAFSMKLIO-VGOKWCNXSA-N 2 0 334.508 3.211 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001320359072 1386586550 /nfs/dbraw/zinc/58/65/50/1386586550.db2.gz GDKDDKSIGDCATB-FXAWDEMLSA-N 2 0 338.499 3.005 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179792552 1386587435 /nfs/dbraw/zinc/58/74/35/1386587435.db2.gz ROFSPHCZAKFDNT-OALUTQOASA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001179851067 1386607587 /nfs/dbraw/zinc/60/75/87/1386607587.db2.gz UYGGUFLXOLBUNL-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCCCCC[NH2+]CCF ZINC001180040111 1386677949 /nfs/dbraw/zinc/67/79/49/1386677949.db2.gz WEXWNXHTUKPWRE-UHFFFAOYSA-N 2 0 331.520 3.124 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180156870 1386716948 /nfs/dbraw/zinc/71/69/48/1386716948.db2.gz JXNNNVNYUWGQFZ-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204629 1386732013 /nfs/dbraw/zinc/73/20/13/1386732013.db2.gz WHLUMBYOSUWCIP-FHWLQOOXSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180272720 1386751199 /nfs/dbraw/zinc/75/11/99/1386751199.db2.gz OCLWLKVSKJPBNE-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCCCC[NH2+]CCCCCF ZINC001180351391 1386771938 /nfs/dbraw/zinc/77/19/38/1386771938.db2.gz AXXXICBCUHJRAH-HDICACEKSA-N 2 0 343.531 3.265 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)cn1 ZINC001321028306 1386787990 /nfs/dbraw/zinc/78/79/90/1386787990.db2.gz AAGKKRRLAUXCMG-IBGZPJMESA-N 2 0 338.499 3.395 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001180412843 1386789860 /nfs/dbraw/zinc/78/98/60/1386789860.db2.gz JKHGNQKANLNYDZ-UHFFFAOYSA-N 2 0 335.923 3.190 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321071450 1386800527 /nfs/dbraw/zinc/80/05/27/1386800527.db2.gz SCSOMZHZCNGFSR-HXUWFJFHSA-N 2 0 326.488 3.393 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180451798 1386800751 /nfs/dbraw/zinc/80/07/51/1386800751.db2.gz JRFXCTCAPWNDKU-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001321867620 1387000344 /nfs/dbraw/zinc/00/03/44/1387000344.db2.gz QXFGQOBQJMAMOO-HNNXBMFYSA-N 2 0 345.512 3.026 20 0 EGADRP CCC[N@H+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001322067978 1387044167 /nfs/dbraw/zinc/04/41/67/1387044167.db2.gz CMKURHRUNNFKIQ-INIZCTEOSA-N 2 0 339.911 3.227 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCCC1CCC1 ZINC001181904426 1387073633 /nfs/dbraw/zinc/07/36/33/1387073633.db2.gz SLUUJHYQMSFJOW-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCC1CCCC1 ZINC001181903404 1387073780 /nfs/dbraw/zinc/07/37/80/1387073780.db2.gz HXMGNGAQVWOCFS-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)C)C1 ZINC001181941323 1387079257 /nfs/dbraw/zinc/07/92/57/1387079257.db2.gz GMRTWJQRGJRCHT-YLJYHZDGSA-N 2 0 339.568 3.227 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001322156497 1387079694 /nfs/dbraw/zinc/07/96/94/1387079694.db2.gz KCOHTIFEPVEMCR-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322244930 1387117980 /nfs/dbraw/zinc/11/79/80/1387117980.db2.gz RFIMSEXIACMSOS-INIZCTEOSA-N 2 0 327.557 3.227 20 0 EGADRP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc3c2OCCO3)n1 ZINC001322861224 1387248092 /nfs/dbraw/zinc/24/80/92/1387248092.db2.gz HZFYVJUJFOZDLN-QGZVFWFLSA-N 2 0 339.439 3.238 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001698717023 1406360728 /nfs/dbraw/zinc/36/07/28/1406360728.db2.gz KACWVUADVAWQPC-UFYCRDLUSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001329569428 1389159430 /nfs/dbraw/zinc/15/94/30/1389159430.db2.gz AVEIMYVVVGHYGG-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001329569430 1389159596 /nfs/dbraw/zinc/15/95/96/1389159596.db2.gz AVEIMYVVVGHYGG-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC001330545463 1389451191 /nfs/dbraw/zinc/45/11/91/1389451191.db2.gz VXCXUQXLCZTMLZ-GXUNQHPWSA-N 2 0 349.563 3.170 20 0 EGADRP Cc1cccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c1F ZINC001330562413 1389455094 /nfs/dbraw/zinc/45/50/94/1389455094.db2.gz AJKYKDHWALVNSG-UHFFFAOYSA-N 2 0 341.474 3.171 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001698730595 1406380331 /nfs/dbraw/zinc/38/03/31/1406380331.db2.gz PYDNVXWDDDNEMM-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001340138377 1390234600 /nfs/dbraw/zinc/23/46/00/1390234600.db2.gz GJQFNIWEHJQRND-GZBFAFLISA-N 2 0 338.521 3.077 20 0 EGADRP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC001340156266 1390238694 /nfs/dbraw/zinc/23/86/94/1390238694.db2.gz ZRFZMJXREXVMJQ-FGTMMUONSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001340648155 1390336537 /nfs/dbraw/zinc/33/65/37/1390336537.db2.gz JERQALZZEXDEOM-UHOSZYNNSA-N 2 0 335.536 3.007 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC001333749427 1390391902 /nfs/dbraw/zinc/39/19/02/1390391902.db2.gz HXDWJZQBJDJKKI-AZUAARDMSA-N 2 0 327.472 3.001 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001333839732 1390419528 /nfs/dbraw/zinc/41/95/28/1390419528.db2.gz BWMUIOSBKDINJP-SQWLQELKSA-N 2 0 346.906 3.389 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(Cl)cc1O ZINC001334358152 1390524644 /nfs/dbraw/zinc/52/46/44/1390524644.db2.gz WYDZBNCOPDJTPR-GZBFAFLISA-N 2 0 338.879 3.216 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001334416389 1390533982 /nfs/dbraw/zinc/53/39/82/1390533982.db2.gz VQXQKQAEYDCIHT-CABCVRRESA-N 2 0 328.378 3.011 20 0 EGADRP FC(F)CN1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001343634012 1390727810 /nfs/dbraw/zinc/72/78/10/1390727810.db2.gz FQDYYUSGFXMVGK-UHFFFAOYSA-N 2 0 343.506 3.350 20 0 EGADRP COc1ccc(C[C@H](C)[N@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC001345204851 1390847667 /nfs/dbraw/zinc/84/76/67/1390847667.db2.gz PLERSDZAHJGROZ-QFBILLFUSA-N 2 0 342.483 3.309 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2sc(N3CCCCC3)nc2C)CC1 ZINC001345942517 1390896237 /nfs/dbraw/zinc/89/62/37/1390896237.db2.gz CAWYXXSWPQSANI-UHFFFAOYSA-N 2 0 336.549 3.263 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001349326154 1391321501 /nfs/dbraw/zinc/32/15/01/1391321501.db2.gz UMLZSUACFOPSBC-UHFFFAOYSA-N 2 0 334.533 3.017 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001351998330 1391741482 /nfs/dbraw/zinc/74/14/82/1391741482.db2.gz RGCCGYQBDKNEQK-MRXNPFEDSA-N 2 0 341.421 3.216 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001698831467 1406525189 /nfs/dbraw/zinc/52/51/89/1406525189.db2.gz ARBDWVSZOQSLEI-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001353158981 1391946910 /nfs/dbraw/zinc/94/69/10/1391946910.db2.gz OSIGZCPOOACZHV-VQTJNVASSA-N 2 0 341.499 3.247 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001698841683 1406538883 /nfs/dbraw/zinc/53/88/83/1406538883.db2.gz SAZPFBSZZBMNMN-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC001353533840 1392034244 /nfs/dbraw/zinc/03/42/44/1392034244.db2.gz AVVKWIYXUFQJAJ-YJBOKZPZSA-N 2 0 331.504 3.092 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001479257055 1392199835 /nfs/dbraw/zinc/19/98/35/1392199835.db2.gz JKURCDMQTJAQGN-QUCCMNQESA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H](c1ccccc1F)[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001479891356 1392461149 /nfs/dbraw/zinc/46/11/49/1392461149.db2.gz OSLLUIVCVWRWAS-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001479905022 1392471827 /nfs/dbraw/zinc/47/18/27/1392471827.db2.gz MTUMOVMYXRDDRF-MJGOQNOKSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698859518 1406569006 /nfs/dbraw/zinc/56/90/06/1406569006.db2.gz CPSAEAZNYGCHQY-MSOLQXFVSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001480265968 1392650147 /nfs/dbraw/zinc/65/01/47/1392650147.db2.gz TUTBQUNNFBGRCR-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1)C1CCC1 ZINC001480320072 1392679934 /nfs/dbraw/zinc/67/99/34/1392679934.db2.gz UOHYKLUSTAIAAU-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](CC2CC2)C1 ZINC001480382662 1392725543 /nfs/dbraw/zinc/72/55/43/1392725543.db2.gz MIAPHVWKTGRRRQ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](CC2CC2)C1 ZINC001480382660 1392726145 /nfs/dbraw/zinc/72/61/45/1392726145.db2.gz MIAPHVWKTGRRRQ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480615415 1392820775 /nfs/dbraw/zinc/82/07/75/1392820775.db2.gz LPEXSWCQEAFMAE-INIZCTEOSA-N 2 0 337.533 3.050 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001480794049 1392937522 /nfs/dbraw/zinc/93/75/22/1392937522.db2.gz VARBYONTRKPREB-AZUAARDMSA-N 2 0 345.531 3.242 20 0 EGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480849347 1392981345 /nfs/dbraw/zinc/98/13/45/1392981345.db2.gz WPLLEVPKVCXTQZ-QFBILLFUSA-N 2 0 345.531 3.187 20 0 EGADRP CC[N@@H+](CC/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480982753 1393066147 /nfs/dbraw/zinc/06/61/47/1393066147.db2.gz GHXFYTRBALAXSV-SJAUKRLSSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481177378 1393142656 /nfs/dbraw/zinc/14/26/56/1393142656.db2.gz DFQPWJKMKYGYGL-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001481192573 1393146723 /nfs/dbraw/zinc/14/67/23/1393146723.db2.gz WYEIYMBTJRBKPX-GOSISDBHSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001481692565 1394453412 /nfs/dbraw/zinc/45/34/12/1394453412.db2.gz VBICVFYGCUXIPS-XLIONFOSSA-N 2 0 345.531 3.403 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCCC1)[NH+](C)C ZINC001491252502 1394491956 /nfs/dbraw/zinc/49/19/56/1394491956.db2.gz PRJYBRWEVDLWQB-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001481849077 1394558310 /nfs/dbraw/zinc/55/83/10/1394558310.db2.gz VJSQQOMLEAZYCW-RBUKOAKNSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H](C(=O)NCCC1CC[NH+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001482049200 1394711754 /nfs/dbraw/zinc/71/17/54/1394711754.db2.gz UDTFGDRJTBVREK-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001482071170 1394734390 /nfs/dbraw/zinc/73/43/90/1394734390.db2.gz BGVURQHGKGUXIN-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2C)CCCC1)[NH+](C)C ZINC001482235967 1394831212 /nfs/dbraw/zinc/83/12/12/1394831212.db2.gz ZBOKOCVFNAPZSL-PKOBYXMFSA-N 2 0 345.531 3.415 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001482339083 1394907412 /nfs/dbraw/zinc/90/74/12/1394907412.db2.gz NJAVHLJVBMIBDW-QZTJIDSGSA-N 2 0 345.531 3.224 20 0 EGADRP CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCCC1 ZINC001482407754 1394972203 /nfs/dbraw/zinc/97/22/03/1394972203.db2.gz IHJXLMOWCJSZKO-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001482497135 1395048774 /nfs/dbraw/zinc/04/87/74/1395048774.db2.gz BSDQPSLIJIYBLN-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001483934777 1395151594 /nfs/dbraw/zinc/15/15/94/1395151594.db2.gz SASUAOIJYXCXKU-RBUKOAKNSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484534810 1395420227 /nfs/dbraw/zinc/42/02/27/1395420227.db2.gz AEUBBKBLMLLWQW-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001484987611 1395631417 /nfs/dbraw/zinc/63/14/17/1395631417.db2.gz DCNZXQDQUOWHHL-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698997315 1406797264 /nfs/dbraw/zinc/79/72/64/1406797264.db2.gz NJIDKWHTPVLNFZ-HXUWFJFHSA-N 2 0 345.531 3.260 20 0 EGADRP C[C@@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCCCC1 ZINC001485934536 1396170549 /nfs/dbraw/zinc/17/05/49/1396170549.db2.gz JNXIPDIZNXNIFL-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001485939246 1396170950 /nfs/dbraw/zinc/17/09/50/1396170950.db2.gz XYHSUMUHPJUPSU-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001493035360 1396333426 /nfs/dbraw/zinc/33/34/26/1396333426.db2.gz MTRMOMJIOLIYKZ-UHFFFAOYSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857651 1396499904 /nfs/dbraw/zinc/49/99/04/1396499904.db2.gz UQGRXJBGDSRGKE-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001495949459 1396575517 /nfs/dbraw/zinc/57/55/17/1396575517.db2.gz OHMMVCMPIKGLKS-BPLPYTOXSA-N 2 0 341.927 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001495963393 1396579558 /nfs/dbraw/zinc/57/95/58/1396579558.db2.gz IPFWEZGEPZLCDU-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001689912101 1404205594 /nfs/dbraw/zinc/20/55/94/1404205594.db2.gz QDRMVMGGZWRUNT-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690392514 1404533931 /nfs/dbraw/zinc/53/39/31/1404533931.db2.gz ZOSSZHUECRYURN-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCCC1 ZINC001690446140 1404569649 /nfs/dbraw/zinc/56/96/49/1404569649.db2.gz LJTYGTDZRDCFFV-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001690540351 1404626769 /nfs/dbraw/zinc/62/67/69/1404626769.db2.gz KACWVUADVAWQPC-MHJFOBGBSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C\Cl)C2)ccc2c[nH+]cn21 ZINC001690774191 1404722817 /nfs/dbraw/zinc/72/28/17/1404722817.db2.gz DVRGJTNDMVABTO-SBEDSWMFSA-N 2 0 346.862 3.026 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC1CCCCCC1 ZINC001690941560 1404848178 /nfs/dbraw/zinc/84/81/78/1404848178.db2.gz HWEMIJPKFLTBMH-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001690947321 1404855226 /nfs/dbraw/zinc/85/52/26/1404855226.db2.gz KYCZXTLXLFXTPV-PXNSSMCTSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691147344 1405079978 /nfs/dbraw/zinc/07/99/78/1405079978.db2.gz UTRIXINEPGOWCP-MKXGPGLRSA-N 2 0 337.552 3.026 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CC1CC(C)C1 ZINC001691194526 1405134613 /nfs/dbraw/zinc/13/46/13/1405134613.db2.gz YOOPBUAWYHORON-ACBHZAAOSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(NCC[N@H+](CC1CCCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001691215424 1405155419 /nfs/dbraw/zinc/15/54/19/1405155419.db2.gz QNCOOTFHCZBIHC-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001691686190 1405421158 /nfs/dbraw/zinc/42/11/58/1405421158.db2.gz HGVRKLLVNSHLQG-MSOLQXFVSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001691686192 1405421165 /nfs/dbraw/zinc/42/11/65/1405421165.db2.gz HGVRKLLVNSHLQG-ROUUACIJSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001691836951 1405549314 /nfs/dbraw/zinc/54/93/14/1405549314.db2.gz KAMYALPAODIBKB-BGYRXZFFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001691960102 1405677574 /nfs/dbraw/zinc/67/75/74/1405677574.db2.gz KSMVMQGNFITIJI-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)Cc2ccc(C)cc2)CC1 ZINC001692026370 1405744330 /nfs/dbraw/zinc/74/43/30/1405744330.db2.gz IZBICXCEQPXOCN-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1C[NH+](CC2CCCCCC2)C1 ZINC001692263151 1405893053 /nfs/dbraw/zinc/89/30/53/1405893053.db2.gz CVXQOPCEGSPQAH-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP C[N@H+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001732082581 1428338839 /nfs/dbraw/zinc/33/88/39/1428338839.db2.gz QMSFNBFIECZHNW-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001732186102 1428434952 /nfs/dbraw/zinc/43/49/52/1428434952.db2.gz JHMWICFOYJTODO-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001732359595 1428547678 /nfs/dbraw/zinc/54/76/78/1428547678.db2.gz CPKQZYFUHOAKPV-FUHWJXTLSA-N 2 0 347.547 3.376 20 0 EGADRP CN(C)[C@H](C(=O)NCC1([NH2+]CCC2CCCC2)CC1)c1ccccc1 ZINC001699675256 1413068492 /nfs/dbraw/zinc/06/84/92/1413068492.db2.gz FJGOPSZINSYPDE-IBGZPJMESA-N 2 0 343.515 3.108 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001699700117 1413112441 /nfs/dbraw/zinc/11/24/41/1413112441.db2.gz MMLFMBIABLVQDQ-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001699826456 1413253382 /nfs/dbraw/zinc/25/33/82/1413253382.db2.gz LYCOOARKQNKFGC-FQEVSTJZSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001699978733 1413423445 /nfs/dbraw/zinc/42/34/45/1413423445.db2.gz IJAZWTLRPMZSIQ-IYARVYRRSA-N 2 0 337.552 3.031 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001732550631 1428732122 /nfs/dbraw/zinc/73/21/22/1428732122.db2.gz XYFUZNXZIOLFRL-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C(C)C)CCC1)[NH+](C)C ZINC001700138502 1413557594 /nfs/dbraw/zinc/55/75/94/1413557594.db2.gz XUNNHSCKLJKECS-IBGZPJMESA-N 2 0 345.531 3.279 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1)C1CCCCC1 ZINC001700177730 1413587207 /nfs/dbraw/zinc/58/72/07/1413587207.db2.gz RYQGCSRPXLYYKK-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001700184054 1413601515 /nfs/dbraw/zinc/60/15/15/1413601515.db2.gz IPXGPZMYTNUCSJ-VANUVFSVSA-N 2 0 337.552 3.290 20 0 EGADRP CCC(CC)C[N@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001732587744 1428803718 /nfs/dbraw/zinc/80/37/18/1428803718.db2.gz ZOCBRSVIQZJICL-UHFFFAOYSA-N 2 0 330.476 3.083 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700761742 1414434702 /nfs/dbraw/zinc/43/47/02/1414434702.db2.gz RFEGPKCXEASCCQ-ROUUACIJSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001700781711 1414464632 /nfs/dbraw/zinc/46/46/32/1414464632.db2.gz ZGYQCQCBKSVEQJ-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)c1cccc2nccn21 ZINC001732784733 1428968441 /nfs/dbraw/zinc/96/84/41/1428968441.db2.gz BMOKIBSTXUZSBE-MRXNPFEDSA-N 2 0 336.439 3.147 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001732982940 1429110117 /nfs/dbraw/zinc/11/01/17/1429110117.db2.gz IBRFFSPWUSZVRB-IAGOWNOFSA-N 2 0 339.483 3.217 20 0 EGADRP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001733046513 1429179263 /nfs/dbraw/zinc/17/92/63/1429179263.db2.gz YQBVRFIFWXCJOL-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001713004741 1417558301 /nfs/dbraw/zinc/55/83/01/1417558301.db2.gz STOSUGWJKSWPNG-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCC[C@H](CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)C1 ZINC001713142669 1417724413 /nfs/dbraw/zinc/72/44/13/1417724413.db2.gz CWPPGBAPJHPZEI-WTGUMLROSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)c1ccccc1F ZINC001713289048 1417916766 /nfs/dbraw/zinc/91/67/66/1417916766.db2.gz NADDFRFSWGDAFV-GTPINHCMSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001733065087 1429218161 /nfs/dbraw/zinc/21/81/61/1429218161.db2.gz FRGXDZQAPNRPQO-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001713493357 1418195849 /nfs/dbraw/zinc/19/58/49/1418195849.db2.gz HPTMTFIWZHHFEG-IBGZPJMESA-N 2 0 349.494 3.027 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001713557688 1418350999 /nfs/dbraw/zinc/35/09/99/1418350999.db2.gz NUNUFTSMBSTYAV-IBGZPJMESA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](CC)c1ccccc1 ZINC001713598528 1418388594 /nfs/dbraw/zinc/38/85/94/1418388594.db2.gz UJBCYJDGUBRGKH-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC001714115000 1418917107 /nfs/dbraw/zinc/91/71/07/1418917107.db2.gz LQHODBZGWITPGX-FXAWDEMLSA-N 2 0 345.531 3.352 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001714149807 1418955555 /nfs/dbraw/zinc/95/55/55/1418955555.db2.gz FUFDNFJMGCXZRQ-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@](C)(C[NH2+]CC2CCC2)C2CC2)CCCCC1 ZINC001714167978 1418976653 /nfs/dbraw/zinc/97/66/53/1418976653.db2.gz CTRAABFEPUDJKY-FQEVSTJZSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714434163 1419166832 /nfs/dbraw/zinc/16/68/32/1419166832.db2.gz MAVCNXXDROLEPH-WMZOPIPTSA-N 2 0 345.531 3.130 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001714556513 1419284212 /nfs/dbraw/zinc/28/42/12/1419284212.db2.gz QJPTWPIKDSIWLX-QUCCMNQESA-N 2 0 345.531 3.226 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714572051 1419305142 /nfs/dbraw/zinc/30/51/42/1419305142.db2.gz IAQYZFCETAPIQO-QGZVFWFLSA-N 2 0 339.483 3.171 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1c(C)cccc1C ZINC001714621938 1419389434 /nfs/dbraw/zinc/38/94/34/1419389434.db2.gz ZNRKGOZKACLLLT-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1F ZINC001714796823 1419513042 /nfs/dbraw/zinc/51/30/42/1419513042.db2.gz ASHRVECFUHWJBB-DLBZAZTESA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001714913385 1419661685 /nfs/dbraw/zinc/66/16/85/1419661685.db2.gz MTQINNMMBWUYLM-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001714929188 1419681717 /nfs/dbraw/zinc/68/17/17/1419681717.db2.gz WKQMDOYWIXHXNU-VQTJNVASSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001715023866 1419755448 /nfs/dbraw/zinc/75/54/48/1419755448.db2.gz GUQCZHMBBSQEFU-OALUTQOASA-N 2 0 349.494 3.151 20 0 EGADRP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001715040247 1419778448 /nfs/dbraw/zinc/77/84/48/1419778448.db2.gz MOLHIXJIUPUSOO-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001715083594 1419821200 /nfs/dbraw/zinc/82/12/00/1419821200.db2.gz GUPRVUNMOQAMTA-LPHOPBHVSA-N 2 0 349.494 3.247 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001715394611 1420092621 /nfs/dbraw/zinc/09/26/21/1420092621.db2.gz ZMNGVNSGQJFNEK-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCCC1 ZINC001715405131 1420103396 /nfs/dbraw/zinc/10/33/96/1420103396.db2.gz NBXQWZASYOWUCM-HXUWFJFHSA-N 2 0 345.531 3.425 20 0 EGADRP CC[C@H]([NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C)c1ccccc1 ZINC001715587003 1420261542 /nfs/dbraw/zinc/26/15/42/1420261542.db2.gz LOUFZWJGLLYUSW-OALUTQOASA-N 2 0 345.531 3.352 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001715976230 1420436249 /nfs/dbraw/zinc/43/62/49/1420436249.db2.gz FARQYHCMICOITD-LJQANCHMSA-N 2 0 345.531 3.178 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccccc1 ZINC001716220394 1420570473 /nfs/dbraw/zinc/57/04/73/1420570473.db2.gz PKLYEUQKVOANOK-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)cs1 ZINC001716695230 1420848025 /nfs/dbraw/zinc/84/80/25/1420848025.db2.gz BBOWDQBHGNTPJX-INIZCTEOSA-N 2 0 349.544 3.059 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001716767279 1420912479 /nfs/dbraw/zinc/91/24/79/1420912479.db2.gz JUCWBDFLTUHMQG-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001716850727 1420981384 /nfs/dbraw/zinc/98/13/84/1420981384.db2.gz QFJGWWAPYMEHBI-FQEVSTJZSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CCCC3CCC3)CC2)CC1 ZINC001716887314 1421010698 /nfs/dbraw/zinc/01/06/98/1421010698.db2.gz IMVVTLYYCYSRFH-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001716895295 1421021893 /nfs/dbraw/zinc/02/18/93/1421021893.db2.gz HHNIAQXTYMUHMF-AZUAARDMSA-N 2 0 337.552 3.125 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@](C)(CNC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001716902305 1421034959 /nfs/dbraw/zinc/03/49/59/1421034959.db2.gz BPIVQSBZSDKBBB-GRERDSQWSA-N 2 0 349.563 3.127 20 0 EGADRP O=C(NCC1([NH2+]CC2CCCCCC2)CCC1)C12CCC[NH+]1CCC2 ZINC001717154464 1421144772 /nfs/dbraw/zinc/14/47/72/1421144772.db2.gz ZUGVTRZSGUXEQK-UHFFFAOYSA-N 2 0 347.547 3.214 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1C)[NH+](C)C ZINC001717214323 1421190822 /nfs/dbraw/zinc/19/08/22/1421190822.db2.gz QZIIMZWARGCAFY-MJGOQNOKSA-N 2 0 333.520 3.177 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001717342305 1421279597 /nfs/dbraw/zinc/27/95/97/1421279597.db2.gz FVKLYHIDVKWABP-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC001717542554 1421483077 /nfs/dbraw/zinc/48/30/77/1421483077.db2.gz GZJWEBRCOCWBTA-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1)c1ccccc1F ZINC001717758229 1421620876 /nfs/dbraw/zinc/62/08/76/1421620876.db2.gz VYUAIBKWRDDJPD-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)[C@@H]1C ZINC001717859988 1421672850 /nfs/dbraw/zinc/67/28/50/1421672850.db2.gz HGRYWVBISKFIPO-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)c2ccccc2C)C1 ZINC001717998872 1421766005 /nfs/dbraw/zinc/76/60/05/1421766005.db2.gz JUMZFXMQIGKVSF-LMDPOFIKSA-N 2 0 345.531 3.367 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001733413093 1429615913 /nfs/dbraw/zinc/61/59/13/1429615913.db2.gz UQMQGZMPKLIBMS-NRFANRHFSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001723571820 1424470428 /nfs/dbraw/zinc/47/04/28/1424470428.db2.gz SVMJZGLYZGXZAF-QZTJIDSGSA-N 2 0 337.552 3.170 20 0 EGADRP CC1CC[NH+](CC(=O)NCC2([NH2+]CC[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001723579490 1424472778 /nfs/dbraw/zinc/47/27/78/1424472778.db2.gz UBMKAVAFTGICAF-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001723615286 1424493791 /nfs/dbraw/zinc/49/37/91/1424493791.db2.gz SRUWURJQGYCZHS-YQQQUEKLSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001723864311 1424592749 /nfs/dbraw/zinc/59/27/49/1424592749.db2.gz YRWDZIMAMKVQDA-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C(=O)NC1(C)CC[NH+]([C@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001724006305 1424625532 /nfs/dbraw/zinc/62/55/32/1424625532.db2.gz TWFMDPBRUSBPGD-IEBWSBKVSA-N 2 0 345.531 3.367 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001724179833 1424715822 /nfs/dbraw/zinc/71/58/22/1424715822.db2.gz QINUTKKECTXNHK-OAQYLSRUSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001724293825 1424778415 /nfs/dbraw/zinc/77/84/15/1424778415.db2.gz FPBYNZXCOGKGBT-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724850011 1425210882 /nfs/dbraw/zinc/21/08/82/1425210882.db2.gz BZKUWZUMNLUTQQ-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001724851805 1425216055 /nfs/dbraw/zinc/21/60/55/1425216055.db2.gz MCUUAHWHFJQRLA-HNNXBMFYSA-N 2 0 330.476 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001724853020 1425219607 /nfs/dbraw/zinc/21/96/07/1425219607.db2.gz SMYQGRCPOKFABY-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001724859507 1425241190 /nfs/dbraw/zinc/24/11/90/1425241190.db2.gz AYCXTHHEJYNDCI-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001724968705 1425364597 /nfs/dbraw/zinc/36/45/97/1425364597.db2.gz DSNUESZAEYZZCB-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725056205 1425492460 /nfs/dbraw/zinc/49/24/60/1425492460.db2.gz RYPRFXRBMXWFFX-RBUKOAKNSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001725196617 1425751307 /nfs/dbraw/zinc/75/13/07/1425751307.db2.gz RIYQAUQTUQTKTK-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001725588941 1426245330 /nfs/dbraw/zinc/24/53/30/1426245330.db2.gz QZDJQGPHMNOSDL-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCc1cccc(C[NH+]2CCC(N(C)C(=O)CCC[NH+](C)C)CC2)c1 ZINC001731349022 1427286593 /nfs/dbraw/zinc/28/65/93/1427286593.db2.gz CUJSTYNNKSYMIP-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001731350538 1427288681 /nfs/dbraw/zinc/28/86/81/1427288681.db2.gz IGLXYNASXGCXOV-MRXNPFEDSA-N 2 0 346.519 3.091 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1C/C=C/c1ccccc1 ZINC001731543949 1427559734 /nfs/dbraw/zinc/55/97/34/1427559734.db2.gz OXDHCMUWGQMVRR-JTPHSUOKSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001731628601 1427679436 /nfs/dbraw/zinc/67/94/36/1427679436.db2.gz LVKXLUXYLGKYQA-SJORKVTESA-N 2 0 341.499 3.337 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001731694729 1427743734 /nfs/dbraw/zinc/74/37/34/1427743734.db2.gz LYHODSKTKKEYLL-ZFYMRNONSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([N@H+](C)CC3CCCCCC3)C2)CC1 ZINC001731717361 1427782741 /nfs/dbraw/zinc/78/27/41/1427782741.db2.gz XQYLJJFOGMKMSK-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001731721620 1427791988 /nfs/dbraw/zinc/79/19/88/1427791988.db2.gz WATXGJSBAWNCNP-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001733941823 1437758280 /nfs/dbraw/zinc/75/82/80/1437758280.db2.gz RDFHREKKGVCJLV-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC001734024956 1437813006 /nfs/dbraw/zinc/81/30/06/1437813006.db2.gz DKGPLDCVJGVEMM-IBGZPJMESA-N 2 0 345.531 3.135 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCC2CCC2)CC1 ZINC001734268768 1437989681 /nfs/dbraw/zinc/98/96/81/1437989681.db2.gz ZYYDKSCAAKMRRY-FQEVSTJZSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC1CCCC1 ZINC001734344980 1438064380 /nfs/dbraw/zinc/06/43/80/1438064380.db2.gz JLJBFKFWGWNCTJ-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001752098484 1440140545 /nfs/dbraw/zinc/14/05/45/1440140545.db2.gz JGQQCQSNJXRNON-OALUTQOASA-N 2 0 345.531 3.144 20 0 EGADRP CC(C)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001752146253 1440145922 /nfs/dbraw/zinc/14/59/22/1440145922.db2.gz ZIRAGPBKVMPQDC-HKUYNNGSSA-N 2 0 337.552 3.409 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001752491349 1440186781 /nfs/dbraw/zinc/18/67/81/1440186781.db2.gz RULVFIIIZPOLOJ-GOSISDBHSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001752569129 1440195595 /nfs/dbraw/zinc/19/55/95/1440195595.db2.gz ZERAJSVPMPHIHO-HSALFYBXSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001752661980 1440198454 /nfs/dbraw/zinc/19/84/54/1440198454.db2.gz VQUAOGFGOXSKEM-NSISKUIASA-N 2 0 345.531 3.450 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001752740759 1440204519 /nfs/dbraw/zinc/20/45/19/1440204519.db2.gz HRQDWKCHUZDNDR-HDICACEKSA-N 2 0 347.547 3.377 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001752773055 1440206288 /nfs/dbraw/zinc/20/62/88/1440206288.db2.gz UQXIDHHQOCKWLU-ZRNYENFQSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752789263 1440213073 /nfs/dbraw/zinc/21/30/73/1440213073.db2.gz BDUKLSNCYWRPEZ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001752809373 1440216382 /nfs/dbraw/zinc/21/63/82/1440216382.db2.gz DSEVJABYIKKMFC-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001752815786 1440217936 /nfs/dbraw/zinc/21/79/36/1440217936.db2.gz SOEDLHHHJKJKDB-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1F ZINC001752825625 1440223646 /nfs/dbraw/zinc/22/36/46/1440223646.db2.gz XKRIWGAHVNJQMC-GOSISDBHSA-N 2 0 349.494 3.028 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752845809 1440232422 /nfs/dbraw/zinc/23/24/22/1440232422.db2.gz AAMOKTNHHPRCFL-BARAFRTASA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001752848346 1440233002 /nfs/dbraw/zinc/23/30/02/1440233002.db2.gz NUQNSEGELYBNKN-SOAGJPPSSA-N 2 0 349.563 3.457 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001752853552 1440234278 /nfs/dbraw/zinc/23/42/78/1440234278.db2.gz NJFGWMRFZABEFB-LMDPOFIKSA-N 2 0 345.531 3.415 20 0 EGADRP CCCC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001752854739 1440234554 /nfs/dbraw/zinc/23/45/54/1440234554.db2.gz UIOMXSCXWZURDV-SOAGJPPSSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001752920020 1440248329 /nfs/dbraw/zinc/24/83/29/1440248329.db2.gz PVJXGCRSYFPAJW-MSOLQXFVSA-N 2 0 331.504 3.108 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001752972162 1440255261 /nfs/dbraw/zinc/25/52/61/1440255261.db2.gz UZYWGCCBVRECLS-ZWKOTPCHSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001752981976 1440257334 /nfs/dbraw/zinc/25/73/34/1440257334.db2.gz AZRVEGPJPNDUFZ-PMACEKPBSA-N 2 0 349.563 3.460 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001752983383 1440257508 /nfs/dbraw/zinc/25/75/08/1440257508.db2.gz JJOTWZQWWHRBOA-WOJBJXKFSA-N 2 0 345.531 3.161 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001752993492 1440260546 /nfs/dbraw/zinc/26/05/46/1440260546.db2.gz HVDSWISUFMQXOV-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996609 1440262356 /nfs/dbraw/zinc/26/23/56/1440262356.db2.gz HFQCCNQUSTYVKL-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001753007626 1440266125 /nfs/dbraw/zinc/26/61/25/1440266125.db2.gz VYQNKJKQTHVWBR-SJORKVTESA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001753029561 1440272445 /nfs/dbraw/zinc/27/24/45/1440272445.db2.gz FGONOZDWEUXENK-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CC/C=C/CC[N@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753084373 1440295449 /nfs/dbraw/zinc/29/54/49/1440295449.db2.gz MVNGQSQLIVMXAS-VOTSOKGWSA-N 2 0 328.460 3.051 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001753120034 1440313329 /nfs/dbraw/zinc/31/33/29/1440313329.db2.gz RQUPAOSANBRAPY-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[N@H+](CC2CCC3(CC3)CC2)C2CC2)CCC1 ZINC001753155930 1440330788 /nfs/dbraw/zinc/33/07/88/1440330788.db2.gz LCPKEAIXTUDJHH-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001753227700 1440340863 /nfs/dbraw/zinc/34/08/63/1440340863.db2.gz UGUMNGBHJQMMHY-UHFFFAOYSA-N 2 0 347.547 3.101 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001753262620 1440344350 /nfs/dbraw/zinc/34/43/50/1440344350.db2.gz FOEYXVIVHZGMQK-GOSISDBHSA-N 2 0 331.504 3.062 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001753287103 1440349196 /nfs/dbraw/zinc/34/91/96/1440349196.db2.gz OYGNOMVIFDYQAT-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2cccc(CC)c2)C1 ZINC001753325740 1440366392 /nfs/dbraw/zinc/36/63/92/1440366392.db2.gz CXOJWWFOZQACBF-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753340395 1440375081 /nfs/dbraw/zinc/37/50/81/1440375081.db2.gz ATCAXNAEEIHUDR-FQEVSTJZSA-N 2 0 347.547 3.191 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753341125 1440375594 /nfs/dbraw/zinc/37/55/94/1440375594.db2.gz RCHXZNBVIZHNNP-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753350454 1440377576 /nfs/dbraw/zinc/37/75/76/1440377576.db2.gz JQWHLPCVJMBCAK-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001753365995 1440385165 /nfs/dbraw/zinc/38/51/65/1440385165.db2.gz UKKHTQTWLGHKRB-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753445417 1440403523 /nfs/dbraw/zinc/40/35/23/1440403523.db2.gz LLUBHARBADTFQZ-RTBURBONSA-N 2 0 337.552 3.362 20 0 EGADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC1CCCC1 ZINC001753473323 1440414566 /nfs/dbraw/zinc/41/45/66/1440414566.db2.gz IPZULKAQNBNJSK-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CCCCC1 ZINC001753488726 1440418685 /nfs/dbraw/zinc/41/86/85/1440418685.db2.gz SDVNLUYHNHVSLJ-RBUKOAKNSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001753518974 1440428108 /nfs/dbraw/zinc/42/81/08/1440428108.db2.gz UKMPOAWGMZLAGF-PZJWPPBQSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001753522754 1440428794 /nfs/dbraw/zinc/42/87/94/1440428794.db2.gz AUQLSMDOIXLPOC-UTKZUKDTSA-N 2 0 345.531 3.191 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001753559776 1440436676 /nfs/dbraw/zinc/43/66/76/1440436676.db2.gz NOWWMSJXGDAXMN-MOPGFXCFSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001753577608 1440439580 /nfs/dbraw/zinc/43/95/80/1440439580.db2.gz JYUAOOZIXBWINA-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001753591224 1440442875 /nfs/dbraw/zinc/44/28/75/1440442875.db2.gz QHXDWBIEZNCSJO-XLIONFOSSA-N 2 0 345.531 3.311 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001753617921 1440450085 /nfs/dbraw/zinc/45/00/85/1440450085.db2.gz BGPPVFOMPZKWGK-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001753671125 1440462006 /nfs/dbraw/zinc/46/20/06/1440462006.db2.gz RLXSPUPJYYGVSQ-OOFWQKGWSA-N 2 0 335.536 3.236 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001753671320 1440462195 /nfs/dbraw/zinc/46/21/95/1440462195.db2.gz VJQQIAIHZKPMMB-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001753671238 1440462222 /nfs/dbraw/zinc/46/22/22/1440462222.db2.gz OSSNQBDBIFIFOR-YSKLNCTFSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001753709135 1440470109 /nfs/dbraw/zinc/47/01/09/1440470109.db2.gz SJXURMONNKVRPG-AZUAARDMSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](F)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001753737190 1440478030 /nfs/dbraw/zinc/47/80/30/1440478030.db2.gz VGEAVZYHDGRDTI-HZPDHXFCSA-N 2 0 348.466 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001753755270 1440482979 /nfs/dbraw/zinc/48/29/79/1440482979.db2.gz PAFIVXBPGYAPJK-KBSZCIAZSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1F ZINC001753797949 1440490273 /nfs/dbraw/zinc/49/02/73/1440490273.db2.gz OVUQVTJLWBWEQI-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001753801202 1440490899 /nfs/dbraw/zinc/49/08/99/1440490899.db2.gz KRTRLDCOBAFJAB-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001753806856 1440491925 /nfs/dbraw/zinc/49/19/25/1440491925.db2.gz FTCJPQYKCGFALE-HNAYVOBHSA-N 2 0 342.487 3.273 20 0 EGADRP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855428 1440508536 /nfs/dbraw/zinc/50/85/36/1440508536.db2.gz XTQNUDMDLYGVLQ-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753874733 1440518670 /nfs/dbraw/zinc/51/86/70/1440518670.db2.gz BHTKCKDBDAPQOM-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC001753875917 1440519423 /nfs/dbraw/zinc/51/94/23/1440519423.db2.gz OOYUPBNXMBPZDY-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001754010601 1440531258 /nfs/dbraw/zinc/53/12/58/1440531258.db2.gz YYAFZDRFUABDRR-KRWDZBQOSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754120361 1440542679 /nfs/dbraw/zinc/54/26/79/1440542679.db2.gz SCAWZIJEYMFHQK-BSCWQEJHSA-N 2 0 347.478 3.022 20 0 EGADRP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754252538 1440558408 /nfs/dbraw/zinc/55/84/08/1440558408.db2.gz ZRALUVTYPMBGPQ-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001754288624 1440564633 /nfs/dbraw/zinc/56/46/33/1440564633.db2.gz YRDKJQOPTGVGOO-RBUKOAKNSA-N 2 0 345.531 3.191 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001754344995 1440589568 /nfs/dbraw/zinc/58/95/68/1440589568.db2.gz KGRIRAJPAVWBGU-APWZRJJASA-N 2 0 342.487 3.177 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001754407952 1440595987 /nfs/dbraw/zinc/59/59/87/1440595987.db2.gz RPUISOULPBAUII-IBGZPJMESA-N 2 0 345.531 3.090 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H](CC)C1 ZINC001754466131 1440604360 /nfs/dbraw/zinc/60/43/60/1440604360.db2.gz AZWAMCDAHQADBP-PMACEKPBSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001754492428 1440610556 /nfs/dbraw/zinc/61/05/56/1440610556.db2.gz CBNBUNANASYDEC-FUHWJXTLSA-N 2 0 339.483 3.043 20 0 EGADRP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754496039 1440612148 /nfs/dbraw/zinc/61/21/48/1440612148.db2.gz SFFHXOZPEBEZIO-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CC1 ZINC001754528008 1440621750 /nfs/dbraw/zinc/62/17/50/1440621750.db2.gz YATHKPCUMAYFJI-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001754545739 1440627397 /nfs/dbraw/zinc/62/73/97/1440627397.db2.gz BDNVIDTXVYZVSL-BQPQQLJHSA-N 2 0 335.536 3.186 20 0 EGADRP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001754598185 1440641937 /nfs/dbraw/zinc/64/19/37/1440641937.db2.gz RPHQUYKUYOTKPN-ZWKOTPCHSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C[C@@H]1C ZINC001754600922 1440642472 /nfs/dbraw/zinc/64/24/72/1440642472.db2.gz JGDAQQAFBYIGDV-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C2)c1 ZINC001754602936 1440642846 /nfs/dbraw/zinc/64/28/46/1440642846.db2.gz FFPIXZQSTXTOEB-FXAWDEMLSA-N 2 0 345.531 3.058 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C[C@@H]1C ZINC001754605018 1440643134 /nfs/dbraw/zinc/64/31/34/1440643134.db2.gz VEECKOYJBSEPKI-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001754629383 1440647307 /nfs/dbraw/zinc/64/73/07/1440647307.db2.gz AUMHJIUQUKELPB-QGZVFWFLSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001754733915 1440681223 /nfs/dbraw/zinc/68/12/23/1440681223.db2.gz QNZVQPRRCQMITB-AZUAARDMSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754796751 1440689680 /nfs/dbraw/zinc/68/96/80/1440689680.db2.gz GDGCQDLVHNGTPT-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754796646 1440689694 /nfs/dbraw/zinc/68/96/94/1440689694.db2.gz FFLYXLVNWORJDG-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001754871826 1440705271 /nfs/dbraw/zinc/70/52/71/1440705271.db2.gz MTQVWDLHGIYTIQ-RBUKOAKNSA-N 2 0 335.536 3.118 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001754915855 1440708669 /nfs/dbraw/zinc/70/86/69/1440708669.db2.gz KFOMISZPSPFOMK-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001754916249 1440708702 /nfs/dbraw/zinc/70/87/02/1440708702.db2.gz RVSVUPLGTHMVBS-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754920849 1440709370 /nfs/dbraw/zinc/70/93/70/1440709370.db2.gz JVSRBFIAAKATOS-ZRHASKPBSA-N 2 0 347.547 3.047 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754981664 1440721482 /nfs/dbraw/zinc/72/14/82/1440721482.db2.gz BAKNOTZVUDSEHP-LJQANCHMSA-N 2 0 347.547 3.380 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001754990875 1440724404 /nfs/dbraw/zinc/72/44/04/1440724404.db2.gz RURGPZCFCCPKTE-SFHVURJKSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754992843 1440725053 /nfs/dbraw/zinc/72/50/53/1440725053.db2.gz UBCIQUKFUXVMSG-ROUUACIJSA-N 2 0 347.547 3.378 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755031547 1440731871 /nfs/dbraw/zinc/73/18/71/1440731871.db2.gz UNJDCDUWIMVCOL-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH+](C)CC2CCCC2)C1 ZINC001755042391 1440738181 /nfs/dbraw/zinc/73/81/81/1440738181.db2.gz MIZXIJCVELPIBU-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CN(CCC[N@H+](C)CCC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755045727 1440740683 /nfs/dbraw/zinc/74/06/83/1440740683.db2.gz GMDXRRHDKYNORO-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CN(CCC[N@H+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001755045724 1440740753 /nfs/dbraw/zinc/74/07/53/1440740753.db2.gz GMDXRRHDKYNORO-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001755048136 1440742486 /nfs/dbraw/zinc/74/24/86/1440742486.db2.gz WGPCNUJQQBJBFF-RTBURBONSA-N 2 0 345.531 3.148 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001755079447 1440750285 /nfs/dbraw/zinc/75/02/85/1440750285.db2.gz KKCVSOJPLGCDHC-IRFCIJBXSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755128294 1440756567 /nfs/dbraw/zinc/75/65/67/1440756567.db2.gz ZWLPACCYFZMNKD-SFHVURJKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755135795 1440758174 /nfs/dbraw/zinc/75/81/74/1440758174.db2.gz DIDSWVDGGQMPAR-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C)cs1 ZINC001755162668 1440765430 /nfs/dbraw/zinc/76/54/30/1440765430.db2.gz YBMKYJRRHKPPKT-WMLDXEAASA-N 2 0 349.544 3.010 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)[C@H](C)C1 ZINC001755166731 1440767460 /nfs/dbraw/zinc/76/74/60/1440767460.db2.gz FPXJIYWDGLGTTQ-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001755204039 1440781597 /nfs/dbraw/zinc/78/15/97/1440781597.db2.gz FXOLHKDAAIADMD-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001755281914 1440800776 /nfs/dbraw/zinc/80/07/76/1440800776.db2.gz ZGNSOQIMIAEPRB-UHFFFAOYSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC1 ZINC001755286262 1440802164 /nfs/dbraw/zinc/80/21/64/1440802164.db2.gz SJEFSDRMHAFCJS-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001755312929 1440814314 /nfs/dbraw/zinc/81/43/14/1440814314.db2.gz JUXNLCTZTMRBTE-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC2=CCCCC2)CC1 ZINC001755321845 1440818835 /nfs/dbraw/zinc/81/88/35/1440818835.db2.gz VFSJGNHLKKNFLA-GOSISDBHSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001755323974 1440820410 /nfs/dbraw/zinc/82/04/10/1440820410.db2.gz YKPWIRXTVNCEIP-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP Cn1cncc1CC(=O)NC[C@H]1CCCCC[N@@H+]1CCCC(C)(C)C ZINC001755368878 1440836503 /nfs/dbraw/zinc/83/65/03/1440836503.db2.gz XGGRNUOPJFLAIG-QGZVFWFLSA-N 2 0 348.535 3.150 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001755411310 1440846632 /nfs/dbraw/zinc/84/66/32/1440846632.db2.gz BNDLRZIHNVCJKI-RBUKOAKNSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CCCC2CCCC2)CC1(C)C ZINC001755416772 1440849463 /nfs/dbraw/zinc/84/94/63/1440849463.db2.gz WJRGUBFEROAVBB-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001755601445 1440884195 /nfs/dbraw/zinc/88/41/95/1440884195.db2.gz DLNAVQFWSCSHFE-CRAIPNDOSA-N 2 0 349.494 3.055 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001755601448 1440884274 /nfs/dbraw/zinc/88/42/74/1440884274.db2.gz DLNAVQFWSCSHFE-YJBOKZPZSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001755666858 1440893542 /nfs/dbraw/zinc/89/35/42/1440893542.db2.gz JXNNNVNYUWGQFZ-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001755667460 1440893614 /nfs/dbraw/zinc/89/36/14/1440893614.db2.gz VBKSCTIRISKBRA-AEFFLSMTSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001755722251 1440907884 /nfs/dbraw/zinc/90/78/84/1440907884.db2.gz HBNXOSPBRVKWFL-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001755766295 1440916387 /nfs/dbraw/zinc/91/63/87/1440916387.db2.gz HRDODYNGDHXEIS-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001755825832 1440927183 /nfs/dbraw/zinc/92/71/83/1440927183.db2.gz XBKOGSOQNGJHDZ-OALUTQOASA-N 2 0 349.563 3.480 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755889245 1440941112 /nfs/dbraw/zinc/94/11/12/1440941112.db2.gz BNFTUMGDWUWXCA-PLNGDYQASA-N 2 0 345.531 3.110 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(N3CCC([NH+](CC)CC)CC3)[nH+]cc21 ZINC001165053989 722005195 /nfs/dbraw/zinc/00/51/95/722005195.db2.gz VWOBNSRSYBLUFE-UHFFFAOYSA-N 2 0 344.459 3.050 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000174539607 231235504 /nfs/dbraw/zinc/23/55/04/231235504.db2.gz GIFYULWQYOKESJ-UFYCRDLUSA-N 2 0 346.515 3.310 20 0 EGADRP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000221823408 282308192 /nfs/dbraw/zinc/30/81/92/282308192.db2.gz MEZWMNWDJYIFIK-KXBFYZLASA-N 2 0 344.528 3.382 20 0 EGADRP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000177825568 232003980 /nfs/dbraw/zinc/00/39/80/232003980.db2.gz QTSALSSTMSUUDO-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(C)ccc1OC ZINC000371450473 168609428 /nfs/dbraw/zinc/60/94/28/168609428.db2.gz ZKIUVJYPYLVBGA-YLJYHZDGSA-N 2 0 345.531 3.213 20 0 EGADRP c1c[nH]c(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000068986179 215351003 /nfs/dbraw/zinc/35/10/03/215351003.db2.gz ZMRUEJPDQWIEME-UHFFFAOYSA-N 2 0 326.488 3.234 20 0 EGADRP Cc1cccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1C ZINC000069171445 215366727 /nfs/dbraw/zinc/36/67/27/215366727.db2.gz DXGWBSIETASCAS-JOCHJYFZSA-N 2 0 337.511 3.382 20 0 EGADRP Cc1cccc(CCC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000181042375 234069095 /nfs/dbraw/zinc/06/90/95/234069095.db2.gz ZBERNXJTHOTWAK-NHCUHLMSSA-N 2 0 343.559 3.418 20 0 EGADRP Cc1ccc(CCC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000181648481 234268073 /nfs/dbraw/zinc/26/80/73/234268073.db2.gz XKCRUGWWXNHRDR-OYRHEFFESA-N 2 0 343.559 3.418 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000261729128 291059881 /nfs/dbraw/zinc/05/98/81/291059881.db2.gz KSZXDHYDUGUBLQ-FRYIKTPZSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000154933650 295923011 /nfs/dbraw/zinc/92/30/11/295923011.db2.gz DDLIJBUNCGIIQB-SIKLNZKXSA-N 2 0 337.511 3.196 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000037408284 213144931 /nfs/dbraw/zinc/14/49/31/213144931.db2.gz NPJXCJUXUXMRHA-ZDUSSCGKSA-N 2 0 339.277 3.032 20 0 EGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1C(F)(F)F ZINC000150977475 299272811 /nfs/dbraw/zinc/27/28/11/299272811.db2.gz VRBCCMIAVMDIHU-AWEZNQCLSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000189573094 237035511 /nfs/dbraw/zinc/03/55/11/237035511.db2.gz YOONEZAFEXSEKI-FCHUYYIVSA-N 2 0 341.543 3.210 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749779 549326007 /nfs/dbraw/zinc/32/60/07/549326007.db2.gz SOEZKMMMSSVRTQ-VQTJNVASSA-N 2 0 329.532 3.359 20 0 EGADRP c1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000132775628 223361615 /nfs/dbraw/zinc/36/16/15/223361615.db2.gz VOGOLYBWGBKFMO-GHTZIAJQSA-N 2 0 328.500 3.098 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000236712288 242329448 /nfs/dbraw/zinc/32/94/48/242329448.db2.gz DDOFTCLWNUBINR-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000236723724 242335704 /nfs/dbraw/zinc/33/57/04/242335704.db2.gz JHLJMAHBHXWTCH-LJQANCHMSA-N 2 0 341.499 3.247 20 0 EGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(C[NH3+])cc1 ZINC000236866093 242387565 /nfs/dbraw/zinc/38/75/65/242387565.db2.gz VNQAHTRVXXJJST-UHFFFAOYSA-N 2 0 345.512 3.191 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000236864374 242387982 /nfs/dbraw/zinc/38/79/82/242387982.db2.gz PEKKZFRMZVKUOL-FQEVSTJZSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CC2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000237524752 242675045 /nfs/dbraw/zinc/67/50/45/242675045.db2.gz IBAUYIIEZCVSDK-KRWDZBQOSA-N 2 0 343.515 3.156 20 0 EGADRP CCC(CC)(CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000261741936 244660784 /nfs/dbraw/zinc/66/07/84/244660784.db2.gz GQLZCTJYFOERQJ-QZTJIDSGSA-N 2 0 345.531 3.402 20 0 EGADRP O=C(CC[C@H]1CC[NH2+]C1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000261797258 244684767 /nfs/dbraw/zinc/68/47/67/244684767.db2.gz KSZGCPYXGVBXCC-SFHVURJKSA-N 2 0 343.515 3.069 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000342693742 284208421 /nfs/dbraw/zinc/20/84/21/284208421.db2.gz MVNGMTLIGJDDKC-PIKOESSRSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000264043729 246010373 /nfs/dbraw/zinc/01/03/73/246010373.db2.gz QUFSPHKDYPJCAV-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP CN(C)C(=O)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000171920855 227363616 /nfs/dbraw/zinc/36/36/16/227363616.db2.gz BCQVCXWFNXHFRT-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000266026784 248041446 /nfs/dbraw/zinc/04/14/46/248041446.db2.gz YOEHAFHVRZMLBV-GOSISDBHSA-N 2 0 345.531 3.006 20 0 EGADRP Cc1ccoc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000266186580 248157167 /nfs/dbraw/zinc/15/71/67/248157167.db2.gz HNCKALJBEMPKFX-IAGOWNOFSA-N 2 0 328.456 3.487 20 0 EGADRP CC(C)[N@@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000266458749 248311312 /nfs/dbraw/zinc/31/13/12/248311312.db2.gz PXZKPCCFMBHZGE-UHFFFAOYSA-N 2 0 343.471 3.051 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000378429896 169118957 /nfs/dbraw/zinc/11/89/57/169118957.db2.gz LPUIAFHVAFOJNZ-VKJFTORMSA-N 2 0 329.444 3.447 20 0 EGADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000091723111 218053317 /nfs/dbraw/zinc/05/33/17/218053317.db2.gz HFZMCXKVXBQAFH-MJGOQNOKSA-N 2 0 334.504 3.281 20 0 EGADRP COc1ccccc1COC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000092422129 218139932 /nfs/dbraw/zinc/13/99/32/218139932.db2.gz GPZDIJPARBXISY-GOSISDBHSA-N 2 0 332.488 3.161 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264624752 284735963 /nfs/dbraw/zinc/73/59/63/284735963.db2.gz SKPFMJZHFIQBPK-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP COCc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000092587206 218152663 /nfs/dbraw/zinc/15/26/63/218152663.db2.gz XNMZGIOSZRICIR-QZTJIDSGSA-N 2 0 346.515 3.154 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000341423306 284786650 /nfs/dbraw/zinc/78/66/50/284786650.db2.gz VFFXTFRKVDVSKD-UXHICEINSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1 ZINC000112528888 220343042 /nfs/dbraw/zinc/34/30/42/220343042.db2.gz BTFZPLHNCFDKHZ-OAHLLOKOSA-N 2 0 344.890 3.338 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000129069983 533116466 /nfs/dbraw/zinc/11/64/66/533116466.db2.gz ASKZVHBYWPIUHV-YPMHNXCESA-N 2 0 327.266 3.250 20 0 EGADRP C[NH+](C)C[C@@H]1CCN(Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000153884327 224171349 /nfs/dbraw/zinc/17/13/49/224171349.db2.gz UNXVOMRHARLUKN-INIZCTEOSA-N 2 0 333.476 3.417 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000269196477 255543195 /nfs/dbraw/zinc/54/31/95/255543195.db2.gz VQHHPDPWWLSZJX-LPHOPBHVSA-N 2 0 331.504 3.260 20 0 EGADRP [NH3+][C@@H](CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000119482342 221331049 /nfs/dbraw/zinc/33/10/49/221331049.db2.gz IXMYLQZLQCHCJM-VQTJNVASSA-N 2 0 337.467 3.030 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000154941102 224330466 /nfs/dbraw/zinc/33/04/66/224330466.db2.gz KMRVRKVBMUKBNL-CHWSQXEVSA-N 2 0 330.303 3.280 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccn1 ZINC000158606810 533383953 /nfs/dbraw/zinc/38/39/53/533383953.db2.gz AOYLCNKVDJCYOM-WIYYLYMNSA-N 2 0 338.499 3.111 20 0 EGADRP CCOCc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298245268 132388622 /nfs/dbraw/zinc/38/86/22/132388622.db2.gz CVKZZWTYXCBGJF-UHFFFAOYSA-N 2 0 325.456 3.377 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2CC)cc1 ZINC000338040588 141078856 /nfs/dbraw/zinc/07/88/56/141078856.db2.gz BKBKRTKXPBFTIH-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000346249441 141186349 /nfs/dbraw/zinc/18/63/49/141186349.db2.gz HGGVBSQIMXEDBU-UHFFFAOYSA-N 2 0 328.460 3.063 20 0 EGADRP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000346628403 141207686 /nfs/dbraw/zinc/20/76/86/141207686.db2.gz FGMIINNQKLENAA-LJQANCHMSA-N 2 0 343.515 3.181 20 0 EGADRP CSC1(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000347884133 141209812 /nfs/dbraw/zinc/20/98/12/141209812.db2.gz QVXLTJPWJAPZIF-HOTGVXAUSA-N 2 0 326.550 3.093 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cc3cscc3Br)CC[C@H]21 ZINC000347912162 141215575 /nfs/dbraw/zinc/21/55/75/141215575.db2.gz MDQZQYFLUJJLJF-SMDDNHRTSA-N 2 0 329.307 3.427 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000352938976 141272727 /nfs/dbraw/zinc/27/27/27/141272727.db2.gz UOJCNERGEKRRNO-IBGZPJMESA-N 2 0 333.520 3.263 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCCOC1 ZINC000356826717 141349489 /nfs/dbraw/zinc/34/94/89/141349489.db2.gz BGUXMLTZEZUXJB-IIMDRIAPSA-N 2 0 346.515 3.201 20 0 EGADRP CC(=O)Nc1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000356838370 141351737 /nfs/dbraw/zinc/35/17/37/141351737.db2.gz DMHVEYMAPORTDN-UHFFFAOYSA-N 2 0 343.393 3.151 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000347034010 144251271 /nfs/dbraw/zinc/25/12/71/144251271.db2.gz BRFCVPGTBLEQIU-MRXNPFEDSA-N 2 0 340.515 3.416 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403307 144264429 /nfs/dbraw/zinc/26/44/29/144264429.db2.gz CQCRMFWRNYKIOT-SFTDATJTSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000351495467 144269141 /nfs/dbraw/zinc/26/91/41/144269141.db2.gz QGJSPTJTLJLYPC-PBPGXSGUSA-N 2 0 326.488 3.455 20 0 EGADRP C[N@H+](C[C@@H](O)CN1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516318 144273449 /nfs/dbraw/zinc/27/34/49/144273449.db2.gz XKKYSYQJOYLUCJ-FGZHOGPDSA-N 2 0 336.479 3.241 20 0 EGADRP CO[C@]1(C)CCC[NH+](CCC[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000366491700 286160179 /nfs/dbraw/zinc/16/01/79/286160179.db2.gz SOYMAYJMMITEOS-RTBURBONSA-N 2 0 326.525 3.159 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183706210 286198576 /nfs/dbraw/zinc/19/85/76/286198576.db2.gz FBIAWVDMIWRSAL-AZUAARDMSA-N 2 0 345.462 3.257 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc(OC)c1OC ZINC000261607925 286221960 /nfs/dbraw/zinc/22/19/60/286221960.db2.gz DCRHIQXSGGYKLC-GOEBONIOSA-N 2 0 336.476 3.113 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C(C)(C)OC)CC2)cc1 ZINC000340212303 286304567 /nfs/dbraw/zinc/30/45/67/286304567.db2.gz MYAMXHZTSGIDFK-MRXNPFEDSA-N 2 0 334.504 3.310 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000261881072 286313708 /nfs/dbraw/zinc/31/37/08/286313708.db2.gz MNRSWLXVQCAYCV-IAGOWNOFSA-N 2 0 334.504 3.489 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262179755 153791845 /nfs/dbraw/zinc/79/18/45/153791845.db2.gz WLOMAUGRQUMSEO-VXGBXAGGSA-N 2 0 345.256 3.026 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262208930 153797847 /nfs/dbraw/zinc/79/78/47/153797847.db2.gz DTIMNPKPYZAHBJ-OEEFBXJYSA-N 2 0 349.563 3.013 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000305063186 154081135 /nfs/dbraw/zinc/08/11/35/154081135.db2.gz HHNCJQLKMDLWAZ-XPGWFJOJSA-N 2 0 334.479 3.492 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310097551 154139613 /nfs/dbraw/zinc/13/96/13/154139613.db2.gz AGWFLFYAZXMKCP-VQIMIIECSA-N 2 0 325.456 3.090 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCO2 ZINC000336875502 154226272 /nfs/dbraw/zinc/22/62/72/154226272.db2.gz HWHKJWSFHLAKFK-CQSZACIVSA-N 2 0 325.412 3.130 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337286256 154260403 /nfs/dbraw/zinc/26/04/03/154260403.db2.gz KLKOUSNJAXJWOA-LRGNLBRXSA-N 2 0 343.515 3.075 20 0 EGADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000337339265 154292290 /nfs/dbraw/zinc/29/22/90/154292290.db2.gz RHBUFWJNNDFHQC-UHFFFAOYSA-N 2 0 335.511 3.452 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000337459581 154363216 /nfs/dbraw/zinc/36/32/16/154363216.db2.gz JYVZNXQWBNVMJJ-MRXNPFEDSA-N 2 0 334.504 3.265 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346814406 156147809 /nfs/dbraw/zinc/14/78/09/156147809.db2.gz BEYKWJXDBUCYMT-JBACZVJFSA-N 2 0 338.499 3.107 20 0 EGADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346838931 156160421 /nfs/dbraw/zinc/16/04/21/156160421.db2.gz XWTXIILRHUTFLM-RCCFBDPRSA-N 2 0 332.488 3.433 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@H]21 ZINC000346851324 156164445 /nfs/dbraw/zinc/16/44/45/156164445.db2.gz VZVSKTKQJMWPLF-NSISKUIASA-N 2 0 337.467 3.220 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000347006725 156243193 /nfs/dbraw/zinc/24/31/93/156243193.db2.gz CIDKDXZBVBVKKA-ZDUSSCGKSA-N 2 0 332.879 3.393 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C2CCCCC2)n1 ZINC000347019124 156251940 /nfs/dbraw/zinc/25/19/40/156251940.db2.gz LSMHRBMGGMHRND-LJQANCHMSA-N 2 0 330.520 3.432 20 0 EGADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc(Cl)c1OC ZINC000347024739 156255435 /nfs/dbraw/zinc/25/54/35/156255435.db2.gz RIXFCXZFPRSSTH-MRXNPFEDSA-N 2 0 338.879 3.321 20 0 EGADRP CCOc1c(OC)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000347035256 156258709 /nfs/dbraw/zinc/25/87/09/156258709.db2.gz GJIKOJFBSRIZIX-QGZVFWFLSA-N 2 0 348.487 3.067 20 0 EGADRP C[C@H](c1ccccc1Br)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070210 162040339 /nfs/dbraw/zinc/04/03/39/162040339.db2.gz QTFHPZSJZDBGQB-CYBMUJFWSA-N 2 0 341.293 3.340 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000111070836 162144086 /nfs/dbraw/zinc/14/40/86/162144086.db2.gz GSERKUVZORUTRC-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000114458686 162234224 /nfs/dbraw/zinc/23/42/24/162234224.db2.gz DRTSUMWAFKPAFO-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178756194 162675505 /nfs/dbraw/zinc/67/55/05/162675505.db2.gz OLILGYPFTNZGTK-SFHVURJKSA-N 2 0 347.528 3.096 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000247180780 162936799 /nfs/dbraw/zinc/93/67/99/162936799.db2.gz VFFITHJCVYABET-ZWKOTPCHSA-N 2 0 341.503 3.430 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H]2CCO[C@H]21 ZINC000248413477 163003041 /nfs/dbraw/zinc/00/30/41/163003041.db2.gz LGWGMPBKMLWYLR-XHCJJCCMSA-N 2 0 340.511 3.300 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000248432046 163004188 /nfs/dbraw/zinc/00/41/88/163004188.db2.gz CLBBOOIBBSFUEM-MGPUTAFESA-N 2 0 328.431 3.243 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cncc(F)c1 ZINC000248462207 163008016 /nfs/dbraw/zinc/00/80/16/163008016.db2.gz YDJAKQNWKLCFST-YWZLYKJASA-N 2 0 343.446 3.028 20 0 EGADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000248656694 163026474 /nfs/dbraw/zinc/02/64/74/163026474.db2.gz WUSCASLFSLCYSL-XUVXKRRUSA-N 2 0 330.516 3.395 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]4OCCC[C@H]24)C3)cc1 ZINC000248763262 163033250 /nfs/dbraw/zinc/03/32/50/163033250.db2.gz DYDOFXQXTQPGHK-KXXIFBCNSA-N 2 0 326.484 3.339 20 0 EGADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000249092762 163055860 /nfs/dbraw/zinc/05/58/60/163055860.db2.gz HMLBUPLXGQJSFK-VWPQPMDRSA-N 2 0 342.527 3.488 20 0 EGADRP COc1ccc(CN(C)CCC[NH+]2CCCC2)cc1Br ZINC000337271582 163189017 /nfs/dbraw/zinc/18/90/17/163189017.db2.gz NTTUYFDNBKUJSX-UHFFFAOYSA-N 2 0 341.293 3.375 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340233658 163515266 /nfs/dbraw/zinc/51/52/66/163515266.db2.gz ZRNINFLQIYDMMG-QZTJIDSGSA-N 2 0 329.532 3.488 20 0 EGADRP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000343753436 164027403 /nfs/dbraw/zinc/02/74/03/164027403.db2.gz VCEFTQRHGARSNL-KBPBESRZSA-N 2 0 344.425 3.103 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)cc1)C(C)C ZINC000343827839 164044771 /nfs/dbraw/zinc/04/47/71/164044771.db2.gz LUGQAXVFXFOAPC-OXQOHEQNSA-N 2 0 343.515 3.129 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(OC)c1 ZINC000343950220 164072038 /nfs/dbraw/zinc/07/20/38/164072038.db2.gz ZEERGWMNYSIBCK-LJQANCHMSA-N 2 0 343.471 3.272 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1)C(C)C ZINC000345843986 164277453 /nfs/dbraw/zinc/27/74/53/164277453.db2.gz YJSOUVDESMUXRD-SFHVURJKSA-N 2 0 340.556 3.011 20 0 EGADRP Cc1nc2ccccn2c1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354902651 166059911 /nfs/dbraw/zinc/05/99/11/166059911.db2.gz UHYCOWBJFZYRHC-UHFFFAOYSA-N 2 0 349.482 3.386 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)cc1Br ZINC000350316065 165029932 /nfs/dbraw/zinc/02/99/32/165029932.db2.gz KBACKJZNPMUABK-UHFFFAOYSA-N 2 0 347.272 3.036 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000350940840 165084241 /nfs/dbraw/zinc/08/42/41/165084241.db2.gz NCLCPKWGXBFQCK-MOPGFXCFSA-N 2 0 330.520 3.010 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000350953830 165086287 /nfs/dbraw/zinc/08/62/87/165086287.db2.gz XAMJBLPNTNFCMO-HZPDHXFCSA-N 2 0 331.460 3.322 20 0 EGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353631453 165838147 /nfs/dbraw/zinc/83/81/47/165838147.db2.gz QIZZGMITWVUTGT-SFHVURJKSA-N 2 0 334.529 3.490 20 0 EGADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000355124620 166113021 /nfs/dbraw/zinc/11/30/21/166113021.db2.gz QXDUUICTVNIIFY-QUCCMNQESA-N 2 0 330.520 3.152 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000355661110 166277197 /nfs/dbraw/zinc/27/71/97/166277197.db2.gz RHLPNRCJTMXWBU-SOLBZPMBSA-N 2 0 331.504 3.105 20 0 EGADRP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357007435 166560752 /nfs/dbraw/zinc/56/07/52/166560752.db2.gz DAFZFGGPVLPMCJ-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNCc2cccc(Br)c2OC)C1 ZINC000359015125 167037452 /nfs/dbraw/zinc/03/74/52/167037452.db2.gz BXBIYLKFCJISCM-CYBMUJFWSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359191860 167091995 /nfs/dbraw/zinc/09/19/95/167091995.db2.gz OMWYKZXLFFXHRB-WIYYLYMNSA-N 2 0 329.532 3.361 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1C ZINC000359867341 167253800 /nfs/dbraw/zinc/25/38/00/167253800.db2.gz BWKMXYFQXITTLV-SJLPKXTDSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360277442 167287926 /nfs/dbraw/zinc/28/79/26/167287926.db2.gz BQOFOJYNZQFFHP-HNNXBMFYSA-N 2 0 332.879 3.163 20 0 EGADRP Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360277455 167288175 /nfs/dbraw/zinc/28/81/75/167288175.db2.gz BQOFOJYNZQFFHP-OAHLLOKOSA-N 2 0 332.879 3.163 20 0 EGADRP CCc1noc(C2CCC([NH2+]C[C@@H]3N(C)CCCC3(C)C)CC2)n1 ZINC000366092498 168081625 /nfs/dbraw/zinc/08/16/25/168081625.db2.gz NKXVHXYRYQOFBV-GPANFISMSA-N 2 0 334.508 3.368 20 0 EGADRP CSc1cccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000366885308 168152688 /nfs/dbraw/zinc/15/26/88/168152688.db2.gz PYLKMJNPFSVWAY-UHFFFAOYSA-N 2 0 347.528 3.155 20 0 EGADRP CC(C)n1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367967106 168290468 /nfs/dbraw/zinc/29/04/68/168290468.db2.gz SYQNJDFTKJJUMP-LEWJYISDSA-N 2 0 338.499 3.418 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000339362468 287267875 /nfs/dbraw/zinc/26/78/75/287267875.db2.gz LYEGTBMZQWQJRL-MJGOQNOKSA-N 2 0 335.536 3.164 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237475960 287355398 /nfs/dbraw/zinc/35/53/98/287355398.db2.gz QYWNGIRARDUGMZ-NSISKUIASA-N 2 0 343.515 3.052 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123060912 222208964 /nfs/dbraw/zinc/20/89/64/222208964.db2.gz BUFGKPHBSVYXKF-QGZVFWFLSA-N 2 0 331.504 3.019 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000375292058 292630567 /nfs/dbraw/zinc/63/05/67/292630567.db2.gz JTHBATROZNCEHQ-UNMCSNQZSA-N 2 0 341.543 3.074 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)[C@H](C)C1 ZINC000178424813 265315978 /nfs/dbraw/zinc/31/59/78/265315978.db2.gz FCPLYSUYVMTNFW-CJNGLKHVSA-N 2 0 325.294 3.312 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000180109109 265395646 /nfs/dbraw/zinc/39/56/46/265395646.db2.gz HBTLMFDVLMTTLC-FQEVSTJZSA-N 2 0 349.588 3.421 20 0 EGADRP CCSc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000274400974 267229692 /nfs/dbraw/zinc/22/96/92/267229692.db2.gz FVQTZYLWNPQVMG-OALUTQOASA-N 2 0 334.529 3.266 20 0 EGADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274898539 267304325 /nfs/dbraw/zinc/30/43/25/267304325.db2.gz KQQABFMRNGHCOO-NRSPTQNISA-N 2 0 329.532 3.219 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000278567932 268041427 /nfs/dbraw/zinc/04/14/27/268041427.db2.gz WYFNYIPBLRLFPJ-SFHVURJKSA-N 2 0 334.529 3.250 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000158517526 273901197 /nfs/dbraw/zinc/90/11/97/273901197.db2.gz AMOLKGBZNPHVKW-FQEVSTJZSA-N 2 0 336.483 3.001 20 0 EGADRP CSC1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC[NH+](C)CC1 ZINC000353642413 274174809 /nfs/dbraw/zinc/17/48/09/274174809.db2.gz LEXNYTJXBSJXPB-HNNXBMFYSA-N 2 0 326.456 3.369 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000185354104 275214705 /nfs/dbraw/zinc/21/47/05/275214705.db2.gz BYHXMQPRODYHMY-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP CSc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000194883685 275229168 /nfs/dbraw/zinc/22/91/68/275229168.db2.gz ZYBMWSHFSVYECU-MRXNPFEDSA-N 2 0 335.561 3.333 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000271895978 275239395 /nfs/dbraw/zinc/23/93/95/275239395.db2.gz FSEKNYNKVUUDLS-VLCRHTCISA-N 2 0 336.479 3.099 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C12CCC[NH+]1CCC2 ZINC000279127058 275306058 /nfs/dbraw/zinc/30/60/58/275306058.db2.gz BECXVECFOULWAU-UHFFFAOYSA-N 2 0 341.499 3.282 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000279832010 275364008 /nfs/dbraw/zinc/36/40/08/275364008.db2.gz GXFPMGOCDFMUNU-ZACQAIPSSA-N 2 0 337.939 3.448 20 0 EGADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH2+]1 ZINC000279949744 275380556 /nfs/dbraw/zinc/38/05/56/275380556.db2.gz SPKIZLTVJYEFSR-WMZOPIPTSA-N 2 0 329.488 3.042 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280040305 275395469 /nfs/dbraw/zinc/39/54/69/275395469.db2.gz ITQJIWOFQZXMSH-XKGZKEIXSA-N 2 0 338.499 3.298 20 0 EGADRP CCCCOC[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000280043017 275395850 /nfs/dbraw/zinc/39/58/50/275395850.db2.gz OGAOHGHFRYHTRE-NRFANRHFSA-N 2 0 348.531 3.008 20 0 EGADRP C1C[C@]2(CS1)C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000090542449 275415245 /nfs/dbraw/zinc/41/52/45/275415245.db2.gz KVEGZNCBSUKSCV-IEBWSBKVSA-N 2 0 338.561 3.428 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262547963 276058215 /nfs/dbraw/zinc/05/82/15/276058215.db2.gz NPNRYXBXCIYSJI-BEVDRBHNSA-N 2 0 339.483 3.262 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000090775231 276090001 /nfs/dbraw/zinc/09/00/01/276090001.db2.gz KMAOKUJGQUSQOJ-LMDPOFIKSA-N 2 0 337.552 3.266 20 0 EGADRP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000287870510 276165431 /nfs/dbraw/zinc/16/54/31/276165431.db2.gz XXJBDMKVIRCFHZ-IAGOWNOFSA-N 2 0 342.405 3.482 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154509593 276194804 /nfs/dbraw/zinc/19/48/04/276194804.db2.gz NJYXEYWASXLQRC-MOPGFXCFSA-N 2 0 347.547 3.195 20 0 EGADRP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288524150 276223622 /nfs/dbraw/zinc/22/36/22/276223622.db2.gz JTPZAVHIRREQGY-MRXNPFEDSA-N 2 0 345.462 3.272 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000288793788 276253885 /nfs/dbraw/zinc/25/38/85/276253885.db2.gz KEOXNINFJORXMK-UHFFFAOYSA-N 2 0 345.531 3.076 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc(COCCOC)cc2)CC1 ZINC000289188270 276302040 /nfs/dbraw/zinc/30/20/40/276302040.db2.gz UBZXYPBJZXBFAN-UHFFFAOYSA-N 2 0 334.504 3.156 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289338952 276324177 /nfs/dbraw/zinc/32/41/77/276324177.db2.gz WPXMKBCBJYDBQQ-FQEVSTJZSA-N 2 0 340.515 3.161 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CC2 ZINC000290262940 276472442 /nfs/dbraw/zinc/47/24/42/276472442.db2.gz KVIWZUFJNFCFCG-HXUWFJFHSA-N 2 0 339.483 3.498 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(C3CC3)CC2)CC1 ZINC000356265832 277113415 /nfs/dbraw/zinc/11/34/15/277113415.db2.gz AWXWLOWQSSAFEE-UHFFFAOYSA-N 2 0 333.907 3.372 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000126739534 288061057 /nfs/dbraw/zinc/06/10/57/288061057.db2.gz PCLKHDHZUKLRKN-FCEWJHQRSA-N 2 0 349.494 3.043 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161678914 288078047 /nfs/dbraw/zinc/07/80/47/288078047.db2.gz IEIOCBDYHRUDES-CJNGLKHVSA-N 2 0 327.875 3.156 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000236917408 279137033 /nfs/dbraw/zinc/13/70/33/279137033.db2.gz FBLVUBXICUUPDR-XLIONFOSSA-N 2 0 345.531 3.170 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)cc1)C(C)C ZINC000345915439 279235023 /nfs/dbraw/zinc/23/50/23/279235023.db2.gz YMXNRKRAUDGXPE-QZTJIDSGSA-N 2 0 345.531 3.472 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)C1 ZINC000174269839 533691425 /nfs/dbraw/zinc/69/14/25/533691425.db2.gz IICDZUNMAOJKSF-MRXNPFEDSA-N 2 0 328.456 3.294 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000106458556 280176392 /nfs/dbraw/zinc/17/63/92/280176392.db2.gz ZNXVOPSAXCVVJA-YLJYHZDGSA-N 2 0 345.531 3.263 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]([NH+]3CCOCC3)[C@H]2C)c1C ZINC000357603942 282074134 /nfs/dbraw/zinc/07/41/34/282074134.db2.gz QRBXNSZYWLQLEH-APWZRJJASA-N 2 0 325.456 3.151 20 0 EGADRP COC(=O)c1cnc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)s1 ZINC000414122405 309062192 /nfs/dbraw/zinc/06/21/92/309062192.db2.gz NXNQFNNTZNFNIY-AWEZNQCLSA-N 2 0 339.505 3.237 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000150993314 307726926 /nfs/dbraw/zinc/72/69/26/307726926.db2.gz VZLYEWTWOVELQL-QGZVFWFLSA-N 2 0 329.532 3.242 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000414179536 309065128 /nfs/dbraw/zinc/06/51/28/309065128.db2.gz KTCZBOCLAVLPFV-LWCVALJOSA-N 2 0 334.479 3.408 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154344994 307792729 /nfs/dbraw/zinc/79/27/29/307792729.db2.gz RXWHCWXQLUAVEI-JXFKEZNVSA-N 2 0 333.495 3.066 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccoc3C)cc2)CC1 ZINC000414310271 309072108 /nfs/dbraw/zinc/07/21/08/309072108.db2.gz KXDKRMMVULOGET-UHFFFAOYSA-N 2 0 327.472 3.015 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336926 309073644 /nfs/dbraw/zinc/07/36/44/309073644.db2.gz ZZKDPSFJHYYOTA-OXJNMPFZSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)nn1C ZINC000414337875 309073754 /nfs/dbraw/zinc/07/37/54/309073754.db2.gz LFNZAVWPWVKIJH-UHFFFAOYSA-N 2 0 346.906 3.384 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246431156 307974695 /nfs/dbraw/zinc/97/46/95/307974695.db2.gz JLDOIKZWNZBFRK-OTWHNJEPSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248540440 308005150 /nfs/dbraw/zinc/00/51/50/308005150.db2.gz BDCPHUGGDOMAGZ-MLYOOKFZSA-N 2 0 349.563 3.266 20 0 EGADRP Brc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000269978560 308066633 /nfs/dbraw/zinc/06/66/33/308066633.db2.gz QFZGMDBEHYULIN-RYUDHWBXSA-N 2 0 329.307 3.270 20 0 EGADRP CCOc1ccccc1C[N@H+](CCCn1ccnc1)C[C@@H](O)C(C)C ZINC000292859734 308073178 /nfs/dbraw/zinc/07/31/78/308073178.db2.gz GSESPEINIJFVGO-LJQANCHMSA-N 2 0 345.487 3.191 20 0 EGADRP CC(C)O[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000293358765 308123389 /nfs/dbraw/zinc/12/33/89/308123389.db2.gz YJNOQCIYCHPDSC-NRFANRHFSA-N 2 0 347.547 3.111 20 0 EGADRP COc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1OC(F)F ZINC000293587335 308144373 /nfs/dbraw/zinc/14/43/73/308144373.db2.gz IEPJAMXGOAQJAK-SFHVURJKSA-N 2 0 340.414 3.214 20 0 EGADRP Cc1c2cccc(Cl)c2sc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000293590575 308144640 /nfs/dbraw/zinc/14/46/40/308144640.db2.gz OGYUOYKGRRZPHY-UHFFFAOYSA-N 2 0 338.904 3.409 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCN[C@@H](c2nc[nH]n2)c2ccc(F)cc2)C1 ZINC000293670237 308151327 /nfs/dbraw/zinc/15/13/27/308151327.db2.gz JRXZUESHZBQLPX-MAUKXSAKSA-N 2 0 345.466 3.135 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293755431 308158961 /nfs/dbraw/zinc/15/89/61/308158961.db2.gz QSADBAQOOGGQFX-DJIMGWMZSA-N 2 0 328.435 3.289 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293854472 308167990 /nfs/dbraw/zinc/16/79/90/308167990.db2.gz XLUUPURHKBJKPC-INIZCTEOSA-N 2 0 331.504 3.161 20 0 EGADRP CC(=O)NC1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000293880449 308170546 /nfs/dbraw/zinc/17/05/46/308170546.db2.gz VKQTUHOUUHNIOH-XZSMBWTPSA-N 2 0 343.515 3.076 20 0 EGADRP c1coc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)c1 ZINC000294083617 308188717 /nfs/dbraw/zinc/18/87/17/308188717.db2.gz ALZDXELGTPMBII-IBGZPJMESA-N 2 0 340.471 3.070 20 0 EGADRP Cc1cnccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000294829636 308262053 /nfs/dbraw/zinc/26/20/53/308262053.db2.gz NHRZIGURGVZJQP-HDICACEKSA-N 2 0 331.504 3.101 20 0 EGADRP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000294864926 308265710 /nfs/dbraw/zinc/26/57/10/308265710.db2.gz UERQCXJIQBRTPW-CWJKEVGVSA-N 2 0 330.516 3.285 20 0 EGADRP CC(C)[NH+]1CCC(NCc2c(Cl)cccc2-n2ccnc2)CC1 ZINC000296054601 308388853 /nfs/dbraw/zinc/38/88/53/308388853.db2.gz OWNYWYADHJIUPD-UHFFFAOYSA-N 3 0 332.879 3.488 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000414696866 309095944 /nfs/dbraw/zinc/09/59/44/309095944.db2.gz QPNDBMZFTQJRIT-UKRRQHHQSA-N 2 0 325.294 3.312 20 0 EGADRP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414700526 309096112 /nfs/dbraw/zinc/09/61/12/309096112.db2.gz SXMKTZPPJVWNHZ-OWCLPIDISA-N 2 0 337.458 3.032 20 0 EGADRP CCCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccccc1 ZINC000414718903 309097320 /nfs/dbraw/zinc/09/73/20/309097320.db2.gz ZWVFPMOKRVYBPK-ROUUACIJSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706553 309096502 /nfs/dbraw/zinc/09/65/02/309096502.db2.gz YIBLLRSVGAWGAY-UKAVVXHISA-N 2 0 329.532 3.359 20 0 EGADRP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OCC(F)(F)F ZINC000414666811 309094592 /nfs/dbraw/zinc/09/45/92/309094592.db2.gz XQBHZIHKUMBDKY-CQSZACIVSA-N 2 0 348.409 3.442 20 0 EGADRP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](CC)c1ccccc1 ZINC000414673181 309094830 /nfs/dbraw/zinc/09/48/30/309094830.db2.gz IPPWLZDSRHAYKM-PKOBYXMFSA-N 2 0 331.504 3.047 20 0 EGADRP Cn1c2ccccc2nc1[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000297457884 308535636 /nfs/dbraw/zinc/53/56/36/308535636.db2.gz QPSXLHBQTJLHEM-HXUWFJFHSA-N 2 0 334.467 3.252 20 0 EGADRP C[C@@H](O)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000414768323 309099719 /nfs/dbraw/zinc/09/97/19/309099719.db2.gz USBJQHPDLCULQZ-YFHUEUNASA-N 2 0 338.923 3.342 20 0 EGADRP Fc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779910 309100667 /nfs/dbraw/zinc/10/06/67/309100667.db2.gz KXAQDUGHTMYNGU-QWHCGFSZSA-N 2 0 341.268 3.410 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414782241 309100828 /nfs/dbraw/zinc/10/08/28/309100828.db2.gz OBSKKYWRJXPDMP-ROUUACIJSA-N 2 0 332.488 3.306 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000414785947 309101080 /nfs/dbraw/zinc/10/10/80/309101080.db2.gz KEVBTZBXWVHSJA-SJORKVTESA-N 2 0 335.517 3.129 20 0 EGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788491 309101329 /nfs/dbraw/zinc/10/13/29/309101329.db2.gz WPJGTAWTUNOZOP-ZVDOUQERSA-N 2 0 344.499 3.066 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414793739 309101752 /nfs/dbraw/zinc/10/17/52/309101752.db2.gz DURKZQSJIOWYEK-YPMHNXCESA-N 2 0 340.393 3.199 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414794817 309101796 /nfs/dbraw/zinc/10/17/96/309101796.db2.gz WCKKTVXKTZBBSM-GOSISDBHSA-N 2 0 332.488 3.053 20 0 EGADRP CSc1cc2c(cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)OCCO2 ZINC000414806119 309102538 /nfs/dbraw/zinc/10/25/38/309102538.db2.gz HFOGYCNYYFHMSQ-CYBMUJFWSA-N 2 0 344.480 3.489 20 0 EGADRP CCC([NH3+])(CC)CNCc1cnc2c(C)cc(Br)cn12 ZINC000414809758 309102883 /nfs/dbraw/zinc/10/28/83/309102883.db2.gz NAZUJIFDIGIDRA-UHFFFAOYSA-N 2 0 339.281 3.012 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1OCc1ccccc1 ZINC000414813647 309103135 /nfs/dbraw/zinc/10/31/35/309103135.db2.gz YNWIEDWDFOBXOI-RBUKOAKNSA-N 2 0 340.467 3.491 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414831061 309104521 /nfs/dbraw/zinc/10/45/21/309104521.db2.gz PIMLRPYTHFPXGK-OLZOCXBDSA-N 2 0 343.393 3.012 20 0 EGADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414844779 309105175 /nfs/dbraw/zinc/10/51/75/309105175.db2.gz FEAWFQFOFPJIHF-QGZVFWFLSA-N 2 0 326.488 3.475 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCCC2 ZINC000344098346 308882031 /nfs/dbraw/zinc/88/20/31/308882031.db2.gz JQXWQLTWWCKPKI-UXHICEINSA-N 2 0 346.515 3.454 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000392673954 308902254 /nfs/dbraw/zinc/90/22/54/308902254.db2.gz OBRJHNNVYVFCTG-APWZRJJASA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000394317415 308903030 /nfs/dbraw/zinc/90/30/30/308903030.db2.gz BEIZBZGYDOIMME-INIZCTEOSA-N 2 0 341.540 3.246 20 0 EGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(Cl)s1 ZINC000411515699 308942409 /nfs/dbraw/zinc/94/24/09/308942409.db2.gz WCLCRHKFTQTAIZ-CYBMUJFWSA-N 2 0 343.924 3.043 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000411739494 308951052 /nfs/dbraw/zinc/95/10/52/308951052.db2.gz ABTCUJFPNUHUSX-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414887200 309107289 /nfs/dbraw/zinc/10/72/89/309107289.db2.gz ZCKYSHAQSDQKQC-OAHLLOKOSA-N 2 0 340.496 3.344 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414887255 309107367 /nfs/dbraw/zinc/10/73/67/309107367.db2.gz DFDUTVRLPGNOHP-KRWDZBQOSA-N 2 0 334.467 3.425 20 0 EGADRP C[C@H](C[NH3+])N[C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414934188 309109955 /nfs/dbraw/zinc/10/99/55/309109955.db2.gz VBKZSKSSZLPFNB-VXGBXAGGSA-N 2 0 337.261 3.306 20 0 EGADRP Fc1ccc(Br)c(F)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414962756 309111864 /nfs/dbraw/zinc/11/18/64/309111864.db2.gz KCVZRNULPZFCAD-SNVBAGLBSA-N 2 0 333.220 3.349 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414970795 309112284 /nfs/dbraw/zinc/11/22/84/309112284.db2.gz KSVIKDSCNTVSGK-KRWDZBQOSA-N 2 0 332.879 3.456 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OC(F)F ZINC000414977809 309112516 /nfs/dbraw/zinc/11/25/16/309112516.db2.gz RXGQPRXMDLEFKD-OAHLLOKOSA-N 2 0 328.403 3.164 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414975976 309112563 /nfs/dbraw/zinc/11/25/63/309112563.db2.gz PFALVRIBWBSJKT-GDBMZVCRSA-N 2 0 337.895 3.487 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414978650 309112639 /nfs/dbraw/zinc/11/26/39/309112639.db2.gz UCVKGYYXBXCSEF-AWEZNQCLSA-N 2 0 326.868 3.369 20 0 EGADRP COc1c(Br)cccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414991167 309113048 /nfs/dbraw/zinc/11/30/48/309113048.db2.gz ANFMDDNAKRSZPH-WCQYABFASA-N 2 0 327.266 3.065 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000414999593 309113543 /nfs/dbraw/zinc/11/35/43/309113543.db2.gz JKBXRSRQWFAGBT-AAEUAGOBSA-N 2 0 334.357 3.374 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415011994 309114324 /nfs/dbraw/zinc/11/43/24/309114324.db2.gz WTNIJKQMZGGTBF-IJXRJRJASA-N 2 0 334.479 3.312 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000415031145 309115491 /nfs/dbraw/zinc/11/54/91/309115491.db2.gz GNHKCAFXXWQVPV-UKRRQHHQSA-N 2 0 339.886 3.161 20 0 EGADRP COc1cc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)ccc1OC1CCCC1 ZINC000415078200 309118740 /nfs/dbraw/zinc/11/87/40/309118740.db2.gz FXSJOMIUBQTBSH-RDJZCZTQSA-N 2 0 332.488 3.494 20 0 EGADRP CC(C)([NH3+])C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415076762 309118753 /nfs/dbraw/zinc/11/87/53/309118753.db2.gz BFLSFAXLCZGWGN-UHFFFAOYSA-N 2 0 330.394 3.081 20 0 EGADRP C[C@H]1C[C@H](C[NH2+]CC2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC000415082564 309119049 /nfs/dbraw/zinc/11/90/49/309119049.db2.gz LYPGGRXIKGZPAO-UONOGXRCSA-N 2 0 337.305 3.458 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415085518 309119362 /nfs/dbraw/zinc/11/93/62/309119362.db2.gz QSYFNHTXVLHAJK-QRKMNUTDSA-N 2 0 346.515 3.432 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]Cc2cccnc2Oc2cccc(F)c2)CC[NH2+]1 ZINC000415087322 309119429 /nfs/dbraw/zinc/11/94/29/309119429.db2.gz VZCUYLBSGCEDJM-HUUCEWRRSA-N 2 0 329.419 3.491 20 0 EGADRP COC(=O)[C@](C)(C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000415093593 309119728 /nfs/dbraw/zinc/11/97/28/309119728.db2.gz CEJBAAQSXGWFJM-YVWKXTFCSA-N 2 0 332.488 3.018 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000415100044 309120312 /nfs/dbraw/zinc/12/03/12/309120312.db2.gz ACAIAWDCYAJKAR-IRXDYDNUSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000415112393 309121080 /nfs/dbraw/zinc/12/10/80/309121080.db2.gz SDJATYZFGDJDDD-RTWAWAEBSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]CC2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000415113921 309121258 /nfs/dbraw/zinc/12/12/58/309121258.db2.gz SYBPHYRHBMJVRC-ZIAGYGMSSA-N 2 0 337.305 3.458 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCSCc3ccccc3)CC2)C1 ZINC000415124787 309122112 /nfs/dbraw/zinc/12/21/12/309122112.db2.gz NHRQWPWLVUBIMG-RTBURBONSA-N 2 0 334.529 3.138 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000415125050 309122163 /nfs/dbraw/zinc/12/21/63/309122163.db2.gz NMNMCPTZLDBFCB-PBHICJAKSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCCCOc3ccccc3)CC2)C1 ZINC000415126748 309122240 /nfs/dbraw/zinc/12/22/40/309122240.db2.gz PXRWVSOZKFXHGE-PZJWPPBQSA-N 2 0 346.515 3.454 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)C1 ZINC000415130578 309122606 /nfs/dbraw/zinc/12/26/06/309122606.db2.gz XHCVKWVFCNSSKO-BLCBEDNYSA-N 2 0 336.426 3.196 20 0 EGADRP NC1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137520 309123170 /nfs/dbraw/zinc/12/31/70/309123170.db2.gz UFSKYDDLJJMCEO-VQTJNVASSA-N 2 0 327.516 3.148 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000415904974 309147339 /nfs/dbraw/zinc/14/73/39/309147339.db2.gz HIGXTKKPQSURMA-CRAIPNDOSA-N 2 0 332.492 3.133 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000415908595 309147692 /nfs/dbraw/zinc/14/76/92/309147692.db2.gz DJVWNGUOIAWKJR-UHFFFAOYSA-N 2 0 346.519 3.382 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000415912158 309147913 /nfs/dbraw/zinc/14/79/13/309147913.db2.gz BGSHDFYZJZFDJY-LJQANCHMSA-N 2 0 340.471 3.221 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000415928838 309149267 /nfs/dbraw/zinc/14/92/67/309149267.db2.gz GDFYGPZPGFYJRD-HZPDHXFCSA-N 2 0 332.492 3.038 20 0 EGADRP CCCC[C@@H](C[NH3+])NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417691336 309218171 /nfs/dbraw/zinc/21/81/71/309218171.db2.gz MSFHHASPNPUOIQ-LPHOPBHVSA-N 2 0 346.519 3.029 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000417817347 309223810 /nfs/dbraw/zinc/22/38/10/309223810.db2.gz DSEIRHDDMHFJRW-CYBMUJFWSA-N 2 0 331.382 3.127 20 0 EGADRP CC(C)(C(=O)NCC[NH2+]C1CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000417818793 309223896 /nfs/dbraw/zinc/22/38/96/309223896.db2.gz SPOCVDWQDJEKLB-GOSISDBHSA-N 2 0 331.504 3.141 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n(C)n1 ZINC000417936698 309228868 /nfs/dbraw/zinc/22/88/68/309228868.db2.gz GCWVDAXXLLNAFX-UHFFFAOYSA-N 2 0 338.455 3.243 20 0 EGADRP [NH3+]CCC[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000418677483 309253331 /nfs/dbraw/zinc/25/33/31/309253331.db2.gz RTYILXXUFZSNTI-LJQANCHMSA-N 2 0 346.519 3.017 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000420290217 309279550 /nfs/dbraw/zinc/27/95/50/309279550.db2.gz LPTJVNOTTALXCE-CQSZACIVSA-N 2 0 344.459 3.128 20 0 EGADRP CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297773 309279980 /nfs/dbraw/zinc/27/99/80/309279980.db2.gz DNRMAINDIFNCMP-QMMLZNLJSA-N 2 0 326.484 3.218 20 0 EGADRP COC(=O)CC1(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000420305451 309280661 /nfs/dbraw/zinc/28/06/61/309280661.db2.gz GIOKGSFQOOVPMC-RTBURBONSA-N 2 0 344.499 3.002 20 0 EGADRP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000420313602 309281126 /nfs/dbraw/zinc/28/11/26/309281126.db2.gz YDIFFWBJKFQRGG-NBYUQASBSA-N 2 0 346.515 3.263 20 0 EGADRP C[N@@H+](Cc1csc2ccccc12)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420317715 309281742 /nfs/dbraw/zinc/28/17/42/309281742.db2.gz NUMPPPBHDXIYPZ-OALUTQOASA-N 2 0 340.492 3.264 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCC23CC4CC(CC(C4)C2)C3)CC12CCOCC2 ZINC000420321546 309281992 /nfs/dbraw/zinc/28/19/92/309281992.db2.gz CRVRUEOGPNOENR-WFRNDULYSA-N 2 0 332.532 3.280 20 0 EGADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000420320817 309282072 /nfs/dbraw/zinc/28/20/72/309282072.db2.gz BYXDHWYMZCHGTN-NEPJUHHUSA-N 2 0 333.423 3.292 20 0 EGADRP Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000420322894 309282115 /nfs/dbraw/zinc/28/21/15/309282115.db2.gz SRDNDZYUANXMRG-YYWHXJBOSA-N 2 0 326.484 3.227 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc2o1 ZINC000420328941 309282647 /nfs/dbraw/zinc/28/26/47/309282647.db2.gz NOOLAVKWOPWYQV-HZPDHXFCSA-N 2 0 342.439 3.041 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336099 309282933 /nfs/dbraw/zinc/28/29/33/309282933.db2.gz ILQAJRXVEWPGPZ-JYJNAYRXSA-N 2 0 349.906 3.297 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336659 309283000 /nfs/dbraw/zinc/28/30/00/309283000.db2.gz IZADOGIBMDCONK-ROUUACIJSA-N 2 0 343.515 3.378 20 0 EGADRP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343818 309283538 /nfs/dbraw/zinc/28/35/38/309283538.db2.gz RMRGNCSBPVUBKU-DJIMGWMZSA-N 2 0 326.444 3.119 20 0 EGADRP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CCOCC[NH3+])c1 ZINC000420370573 309284856 /nfs/dbraw/zinc/28/48/56/309284856.db2.gz JPRVBXILSXYPTE-LEWJYISDSA-N 2 0 340.467 3.201 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420387561 309285725 /nfs/dbraw/zinc/28/57/25/309285725.db2.gz KJMVZUKGUXFBNZ-UXHICEINSA-N 2 0 346.515 3.291 20 0 EGADRP COc1ccc(Cl)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420387311 309285738 /nfs/dbraw/zinc/28/57/38/309285738.db2.gz VTBIJHZCLWBTCI-ROUUACIJSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1cc(C)cc(OCCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420399106 309286568 /nfs/dbraw/zinc/28/65/68/309286568.db2.gz ZNHVWMQHPRLFFE-TZIWHRDSSA-N 2 0 346.515 3.291 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCCCC(F)(F)F)CC2)CC1 ZINC000420978059 309305286 /nfs/dbraw/zinc/30/52/86/309305286.db2.gz IRBZTPOTQYHOHP-UHFFFAOYSA-N 2 0 335.458 3.211 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000421868887 309344326 /nfs/dbraw/zinc/34/43/26/309344326.db2.gz CWBJYHXPTDOWID-JEYLPNPQSA-N 2 0 329.488 3.440 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000421870394 309344410 /nfs/dbraw/zinc/34/44/10/309344410.db2.gz FEFYSWXKKWSOOQ-IPJUCJBFSA-N 3 0 333.520 3.150 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(N2CCOCC2)c1 ZINC000421875465 309344539 /nfs/dbraw/zinc/34/45/39/309344539.db2.gz JWNHKBWWLGVBQE-IVMQYODDSA-N 2 0 331.504 3.047 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421886850 309345114 /nfs/dbraw/zinc/34/51/14/309345114.db2.gz VMIKRUUSWJEXML-KTAKPFMOSA-N 2 0 333.476 3.177 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422951143 309377716 /nfs/dbraw/zinc/37/77/16/309377716.db2.gz XQXIYHXCDQXSBX-GJZGRUSLSA-N 2 0 327.266 3.078 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H](C)CCC[NH3+])ccn2)cc1 ZINC000422707414 309363983 /nfs/dbraw/zinc/36/39/83/309363983.db2.gz HHSXIQUTPJNEJL-HNNXBMFYSA-N 2 0 329.444 3.490 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422710152 309364146 /nfs/dbraw/zinc/36/41/46/309364146.db2.gz LAIWRVBKPVYTSF-HIFRSBDPSA-N 2 0 340.309 3.135 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000422714101 309364443 /nfs/dbraw/zinc/36/44/43/309364443.db2.gz QSRGBIMQSMWMAT-HOJAQTOUSA-N 2 0 345.531 3.200 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422718022 309364560 /nfs/dbraw/zinc/36/45/60/309364560.db2.gz WQBYGFNDFKZYBJ-LPHOPBHVSA-N 2 0 341.455 3.490 20 0 EGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422716669 309364662 /nfs/dbraw/zinc/36/46/62/309364662.db2.gz NQAYOKIARNDRDF-JLTOFOAXSA-N 2 0 328.431 3.316 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422718023 309364714 /nfs/dbraw/zinc/36/47/14/309364714.db2.gz WQBYGFNDFKZYBJ-QFBILLFUSA-N 2 0 341.455 3.490 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000422719733 309365009 /nfs/dbraw/zinc/36/50/09/309365009.db2.gz RERPRWJOKIQKAM-JFIYKMOQSA-N 2 0 335.561 3.395 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422727333 309365379 /nfs/dbraw/zinc/36/53/79/309365379.db2.gz CDKIWFJCQPZAPE-WDSOQIARSA-N 2 0 343.540 3.433 20 0 EGADRP c1csc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422735787 309365952 /nfs/dbraw/zinc/36/59/52/309365952.db2.gz WPRBDRYBPQJOCA-XDNAFOTISA-N 2 0 333.545 3.395 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000422735901 309365969 /nfs/dbraw/zinc/36/59/69/309365969.db2.gz FNIBPLOIBHAEMV-WCRBZPEASA-N 3 0 327.516 3.291 20 0 EGADRP Fc1ccccc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422753352 309366617 /nfs/dbraw/zinc/36/66/17/309366617.db2.gz CEAXCOMHCOGJGM-UYAOXDASSA-N 2 0 326.415 3.214 20 0 EGADRP COc1ccc([C@@H](C[NH2+][C@H](C)CCCC[NH3+])N2CCCCC2)cc1 ZINC000422753734 309366663 /nfs/dbraw/zinc/36/66/63/309366663.db2.gz GIVBWZCMMRDWAM-YLJYHZDGSA-N 2 0 333.520 3.329 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422753084 309366694 /nfs/dbraw/zinc/36/66/94/309366694.db2.gz DLYRIZVMQGXQLW-WFASDCNBSA-N 2 0 329.257 3.238 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422758569 309366967 /nfs/dbraw/zinc/36/69/67/309366967.db2.gz FDRZKIFHRJSCCN-HLAWJBBLSA-N 2 0 338.499 3.499 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422773263 309367434 /nfs/dbraw/zinc/36/74/34/309367434.db2.gz ZOUATVPUHSKRKC-KGLIPLIRSA-N 2 0 344.421 3.469 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])N2CCCCC2)cc1 ZINC000422770828 309367607 /nfs/dbraw/zinc/36/76/07/309367607.db2.gz WSWPURDIXAJTFK-TYPHKJRUSA-N 2 0 345.531 3.329 20 0 EGADRP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1 ZINC000422773295 309367614 /nfs/dbraw/zinc/36/76/14/309367614.db2.gz ZSFUKNWWPYTSKG-FDFHNCONSA-N 2 0 335.495 3.344 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422782067 309368002 /nfs/dbraw/zinc/36/80/02/309368002.db2.gz MQNDEZCZYIKSRC-CEXWTWQISA-N 2 0 332.488 3.147 20 0 EGADRP C[C@@]1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CCC[NH2+]C1 ZINC000423330262 309395567 /nfs/dbraw/zinc/39/55/67/309395567.db2.gz FQDIEKAQRACTFC-BXUZGUMPSA-N 2 0 329.307 3.477 20 0 EGADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422796859 309368907 /nfs/dbraw/zinc/36/89/07/309368907.db2.gz ZELLCWOZSKDQNI-XFWGSAIBSA-N 2 0 332.488 3.363 20 0 EGADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000422804013 309369250 /nfs/dbraw/zinc/36/92/50/309369250.db2.gz GUIDWPZEVXWWKB-IPMKNSEASA-N 2 0 338.499 3.311 20 0 EGADRP Fc1cc(F)cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422804686 309369472 /nfs/dbraw/zinc/36/94/72/309369472.db2.gz KVZLSYQRJKLMFO-MJGOQNOKSA-N 2 0 330.378 3.310 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422812000 309369721 /nfs/dbraw/zinc/36/97/21/309369721.db2.gz VSOSFJQXQZKCNE-CQSZACIVSA-N 2 0 349.482 3.314 20 0 EGADRP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422819391 309370141 /nfs/dbraw/zinc/37/01/41/309370141.db2.gz NASCZPKOQOMXHD-PCCBWWKXSA-N 2 0 338.499 3.315 20 0 EGADRP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)cn1 ZINC000422826112 309370577 /nfs/dbraw/zinc/37/05/77/309370577.db2.gz KVTQSPMSKBWKBZ-NJDAHSKKSA-N 2 0 338.499 3.332 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422830027 309370737 /nfs/dbraw/zinc/37/07/37/309370737.db2.gz QORAOTVMBXDJRV-IAOMBJDPSA-N 2 0 340.414 3.007 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829848 309370750 /nfs/dbraw/zinc/37/07/50/309370750.db2.gz VBAZRXWNWODMRQ-IRXDYDNUSA-N 2 0 340.515 3.410 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2)n1 ZINC000422853488 309372035 /nfs/dbraw/zinc/37/20/35/309372035.db2.gz CBSJGMFGRHVFQR-ICSRJNTNSA-N 2 0 326.488 3.139 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000422853485 309372101 /nfs/dbraw/zinc/37/21/01/309372101.db2.gz CAXLUKXOISUVFZ-NUEKZKHPSA-N 2 0 346.368 3.091 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422872533 309373068 /nfs/dbraw/zinc/37/30/68/309373068.db2.gz HMMUVKCSPJDRBG-HXHBTQRASA-N 2 0 337.511 3.198 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422876911 309373504 /nfs/dbraw/zinc/37/35/04/309373504.db2.gz GRUZWOVOBGVFQH-HKUYNNGSSA-N 2 0 330.520 3.472 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422880820 309373587 /nfs/dbraw/zinc/37/35/87/309373587.db2.gz OUPKZRZWNHALOH-QFBILLFUSA-N 3 0 335.923 3.269 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422881994 309373844 /nfs/dbraw/zinc/37/38/44/309373844.db2.gz OPBGIMALGGMLGL-OFQRWUPVSA-N 2 0 330.476 3.009 20 0 EGADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422886354 309374218 /nfs/dbraw/zinc/37/42/18/309374218.db2.gz WLKSAKPOAAJOSJ-IPMKNSEASA-N 2 0 329.488 3.436 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422891540 309374585 /nfs/dbraw/zinc/37/45/85/309374585.db2.gz VSTAONUSBUUQDY-ZQANELOGSA-N 2 0 327.516 3.016 20 0 EGADRP CCCCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422896363 309374870 /nfs/dbraw/zinc/37/48/70/309374870.db2.gz XXNPMOCEIFZYKY-SLFFLAALSA-N 2 0 332.488 3.112 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CCCCC2)cc1 ZINC000422898752 309375067 /nfs/dbraw/zinc/37/50/67/309375067.db2.gz FUKHNVAYCRJWEA-FFZOFVMBSA-N 2 0 346.515 3.239 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422901651 309375297 /nfs/dbraw/zinc/37/52/97/309375297.db2.gz LJRPDDGAYUYMBY-QXAKKESOSA-N 2 0 342.462 3.330 20 0 EGADRP COc1ccc(COCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422914000 309375966 /nfs/dbraw/zinc/37/59/66/309375966.db2.gz ZPQJBTVNRVUMTM-VQTJNVASSA-N 2 0 326.440 3.336 20 0 EGADRP CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000422914537 309376128 /nfs/dbraw/zinc/37/61/28/309376128.db2.gz URLABTMPUAJRNZ-HSALFYBXSA-N 2 0 341.499 3.020 20 0 EGADRP COc1cccc(OCCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422920144 309376151 /nfs/dbraw/zinc/37/61/51/309376151.db2.gz LRGIGIYKGHBXQL-JXFKEZNVSA-N 2 0 328.456 3.012 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422921142 309376303 /nfs/dbraw/zinc/37/63/03/309376303.db2.gz NKVHSIMUUIADAZ-SNVBAGLBSA-N 2 0 339.789 3.240 20 0 EGADRP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422930580 309376670 /nfs/dbraw/zinc/37/66/70/309376670.db2.gz VCRXAHNAFQXGPL-XUVXKRRUSA-N 2 0 346.515 3.110 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccccc32)CC[NH2+]CC1 ZINC000422993737 309379914 /nfs/dbraw/zinc/37/99/14/309379914.db2.gz UEMLNPLPLXFAOB-YJBOKZPZSA-N 2 0 344.499 3.320 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423010742 309380755 /nfs/dbraw/zinc/38/07/55/309380755.db2.gz HKMWPOSZJUMDOQ-GJZGRUSLSA-N 2 0 327.472 3.387 20 0 EGADRP CCN1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012906 309380939 /nfs/dbraw/zinc/38/09/39/309380939.db2.gz DZVIYCMCGHFUMR-ZLIFDBKOSA-N 2 0 327.875 3.331 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2c(C)cccc2C)CC[NH2+]CC1 ZINC000423032465 309382021 /nfs/dbraw/zinc/38/20/21/309382021.db2.gz FKCUSULYDCJURW-DLBZAZTESA-N 2 0 332.488 3.275 20 0 EGADRP C[C@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000423054496 309383366 /nfs/dbraw/zinc/38/33/66/309383366.db2.gz UUQGXYCFAWDHHJ-MAZHCROVSA-N 2 0 329.410 3.038 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065467 309384208 /nfs/dbraw/zinc/38/42/08/309384208.db2.gz UMYHPLUMRLUANL-FNAHDJPLSA-N 2 0 341.543 3.407 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F)CC[NH2+]CC1 ZINC000423078561 309384750 /nfs/dbraw/zinc/38/47/50/309384750.db2.gz WDYLOPZPRPASKG-CHWSQXEVSA-N 2 0 338.414 3.019 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423080223 309384797 /nfs/dbraw/zinc/38/47/97/309384797.db2.gz SFUQOBGCNIEDKH-ZQIUZPCESA-N 2 0 338.442 3.119 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423125901 309387170 /nfs/dbraw/zinc/38/71/70/309387170.db2.gz IKFHDJHOUTXZGA-LPHOPBHVSA-N 2 0 344.499 3.091 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1OC ZINC000423127343 309387184 /nfs/dbraw/zinc/38/71/84/309387184.db2.gz BWOBTBWTMKPNKP-KGLIPLIRSA-N 2 0 326.868 3.007 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000423130847 309387378 /nfs/dbraw/zinc/38/73/78/309387378.db2.gz SGRKUPYGDYWGQQ-CSODHUTKSA-N 2 0 338.499 3.162 20 0 EGADRP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423129407 309387509 /nfs/dbraw/zinc/38/75/09/309387509.db2.gz LWHZXIXLWOYQMQ-OGWHTMIXSA-N 2 0 331.479 3.305 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(Cl)c1OC ZINC000423140122 309388065 /nfs/dbraw/zinc/38/80/65/309388065.db2.gz XKDYJTKZORFQIW-KBPBESRZSA-N 2 0 326.868 3.149 20 0 EGADRP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423162567 309388879 /nfs/dbraw/zinc/38/88/79/309388879.db2.gz UCAGYUJURLKHGC-NXNFSMPISA-N 2 0 328.500 3.317 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000423165811 309388965 /nfs/dbraw/zinc/38/89/65/309388965.db2.gz UXTREMUXAIQMDG-YSIASYRMSA-N 2 0 344.524 3.461 20 0 EGADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)(F)F ZINC000423181624 309389391 /nfs/dbraw/zinc/38/93/91/309389391.db2.gz LGWOZPZNWGPXBQ-DUVNUKRYSA-N 2 0 328.378 3.420 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423212952 309390619 /nfs/dbraw/zinc/39/06/19/309390619.db2.gz JHVYXJDHGQUXKU-ZMSDIMECSA-N 2 0 332.492 3.255 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423220074 309390988 /nfs/dbraw/zinc/39/09/88/309390988.db2.gz XWKIUJLIKQIYKM-ANULTFPQSA-N 3 0 327.516 3.019 20 0 EGADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423273937 309393556 /nfs/dbraw/zinc/39/35/56/309393556.db2.gz LFRWXMYCSXEHHS-CVEARBPZSA-N 2 0 325.294 3.343 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423286103 309394174 /nfs/dbraw/zinc/39/41/74/309394174.db2.gz ZOSPUWWNXWFYCC-ZVZYQTTQSA-N 2 0 332.492 3.385 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423312655 309394795 /nfs/dbraw/zinc/39/47/95/309394795.db2.gz SLMXYAKUHLASAR-INIZCTEOSA-N 2 0 339.483 3.478 20 0 EGADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423333217 309395828 /nfs/dbraw/zinc/39/58/28/309395828.db2.gz DXYUVZMRHUAYIT-CRAIPNDOSA-N 2 0 348.462 3.344 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000423340776 309396143 /nfs/dbraw/zinc/39/61/43/309396143.db2.gz UAPPKYWZIVBSNN-FUHIMQAGSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423348338 309396431 /nfs/dbraw/zinc/39/64/31/309396431.db2.gz TUSQLNUAZTVYKO-LRDDRELGSA-N 2 0 343.284 3.499 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c(Br)c1 ZINC000423349811 309396609 /nfs/dbraw/zinc/39/66/09/309396609.db2.gz XOXKZCIFSWKRDF-NSHDSACASA-N 2 0 325.250 3.028 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H](C)[NH3+] ZINC000423365909 309397139 /nfs/dbraw/zinc/39/71/39/309397139.db2.gz WWSKKTJFZOCPML-YLJYHZDGSA-N 2 0 345.531 3.298 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423404934 309398697 /nfs/dbraw/zinc/39/86/97/309398697.db2.gz XYHJSZHYBNFLQW-CQSZACIVSA-N 2 0 326.440 3.466 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H](C)C1 ZINC000423418042 309399488 /nfs/dbraw/zinc/39/94/88/309399488.db2.gz UBPHWFRTOLSEHA-FXAWDEMLSA-N 2 0 345.531 3.271 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423419920 309399682 /nfs/dbraw/zinc/39/96/82/309399682.db2.gz BFQGXVCCKOQJEA-CHWSQXEVSA-N 2 0 335.883 3.397 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423427545 309400069 /nfs/dbraw/zinc/40/00/69/309400069.db2.gz IMRKYCTXGQXNRL-JKSUJKDBSA-N 2 0 330.476 3.167 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423441527 309400528 /nfs/dbraw/zinc/40/05/28/309400528.db2.gz PGGRDLDMOULDQW-LESCRADOSA-N 2 0 329.444 3.208 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000423488857 309402506 /nfs/dbraw/zinc/40/25/06/309402506.db2.gz FDXNFOCRRDBYNO-JMSVASOKSA-N 2 0 339.277 3.380 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000423498210 309403151 /nfs/dbraw/zinc/40/31/51/309403151.db2.gz GPHVFMUCGYNCOY-SRVKXCTJSA-N 2 0 327.266 3.236 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000423540948 309405680 /nfs/dbraw/zinc/40/56/80/309405680.db2.gz KEGPLVMKXNSOBN-WTNVTLLGSA-N 2 0 332.488 3.174 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC000423548396 309405901 /nfs/dbraw/zinc/40/59/01/309405901.db2.gz RALLCQQVKQWVEC-SPWCGHHHSA-N 2 0 340.414 3.335 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cccnc2)c(F)c1 ZINC000423551202 309406046 /nfs/dbraw/zinc/40/60/46/309406046.db2.gz UDTFELXIECTECA-UNFPFYSMSA-N 2 0 343.421 3.427 20 0 EGADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000423556224 309406304 /nfs/dbraw/zinc/40/63/04/309406304.db2.gz HYOHJHAOCBFHLO-QGZVFWFLSA-N 2 0 341.474 3.470 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424131213 309430242 /nfs/dbraw/zinc/43/02/42/309430242.db2.gz INMBMGJLOJSTPT-GOSISDBHSA-N 2 0 337.552 3.396 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424443847 309444038 /nfs/dbraw/zinc/44/40/38/309444038.db2.gz LPKCACCGJFNEMI-UHFFFAOYSA-N 2 0 334.508 3.285 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000429494694 309583102 /nfs/dbraw/zinc/58/31/02/309583102.db2.gz RSKNONCXIKUHKG-OXQOHEQNSA-N 2 0 339.483 3.406 20 0 EGADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000430720354 309616054 /nfs/dbraw/zinc/61/60/54/309616054.db2.gz JBBSTZPNMVNAMO-QXAKKESOSA-N 2 0 330.520 3.138 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000430772503 309617504 /nfs/dbraw/zinc/61/75/04/309617504.db2.gz BZHXHOQJGIOPOL-XWSJACJDSA-N 2 0 337.552 3.029 20 0 EGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1-c1ccccc1 ZINC000431031730 309623844 /nfs/dbraw/zinc/62/38/44/309623844.db2.gz CGYFZUDHUHGRFG-UHFFFAOYSA-N 2 0 349.478 3.368 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000433132917 309679660 /nfs/dbraw/zinc/67/96/60/309679660.db2.gz NCWOPKHGQIORAE-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccc(F)cc1 ZINC000437969577 309804372 /nfs/dbraw/zinc/80/43/72/309804372.db2.gz JCEHTXSPRQXHHW-SFHVURJKSA-N 2 0 347.522 3.279 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000447536758 309981162 /nfs/dbraw/zinc/98/11/62/309981162.db2.gz PRUKNBYSPIVLRD-RTWAWAEBSA-N 2 0 329.532 3.487 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449037835 310031965 /nfs/dbraw/zinc/03/19/65/310031965.db2.gz PKZXMWIQWZBZGA-UHFFFAOYSA-N 2 0 348.535 3.321 20 0 EGADRP COc1cc(F)cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000449123959 310038722 /nfs/dbraw/zinc/03/87/22/310038722.db2.gz FBTBWQNLINMHGL-UHFFFAOYSA-N 2 0 346.446 3.107 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000449132020 310039257 /nfs/dbraw/zinc/03/92/57/310039257.db2.gz RDOYDPMEERUDBI-QGZVFWFLSA-N 2 0 343.515 3.227 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449222985 310045848 /nfs/dbraw/zinc/04/58/48/310045848.db2.gz NIJGSDZOOGSKEY-JSGCOSHPSA-N 2 0 330.394 3.038 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CN3CCSC[C@@H]3C3CC3)sc2C1 ZINC000449526429 310069039 /nfs/dbraw/zinc/06/90/39/310069039.db2.gz DREJOXFDTIJOLV-OAHLLOKOSA-N 2 0 337.558 3.237 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000449526243 310069163 /nfs/dbraw/zinc/06/91/63/310069163.db2.gz DLKOZFFYXKQQGI-IBGZPJMESA-N 2 0 334.504 3.454 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449591021 310074256 /nfs/dbraw/zinc/07/42/56/310074256.db2.gz VYGJCPRZINJJLU-WZGPROSRSA-N 2 0 336.520 3.351 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(C)oc3ccccc32)CC1 ZINC000449744191 310083749 /nfs/dbraw/zinc/08/37/49/310083749.db2.gz FKWVETKGCYZEDC-UHFFFAOYSA-N 2 0 329.488 3.247 20 0 EGADRP c1cn(CCc2ccccc2)nc1CN1CC[C@H](Oc2ccncc2)C1 ZINC000450500504 310126608 /nfs/dbraw/zinc/12/66/08/310126608.db2.gz NKQWZSKYOVFZNU-NRFANRHFSA-N 2 0 348.450 3.174 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)CO2 ZINC000453061389 310255225 /nfs/dbraw/zinc/25/52/25/310255225.db2.gz PCKFXNOESQGWJE-AEFFLSMTSA-N 2 0 332.488 3.100 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453070160 310255882 /nfs/dbraw/zinc/25/58/82/310255882.db2.gz MSBYHFVWGWJFAC-NCYKPQTJSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000453081748 310256629 /nfs/dbraw/zinc/25/66/29/310256629.db2.gz UQNZANPGMRZZOC-SFHVURJKSA-N 2 0 338.499 3.429 20 0 EGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](C2CC2)C2CCCC2)c1 ZINC000453101329 310258032 /nfs/dbraw/zinc/25/80/32/310258032.db2.gz YVTZGGYOVWZBKD-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453148571 310260850 /nfs/dbraw/zinc/26/08/50/310260850.db2.gz ZIXZHINJNGPZAQ-NRFANRHFSA-N 2 0 328.500 3.312 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453200041 310263816 /nfs/dbraw/zinc/26/38/16/310263816.db2.gz ULXNDOOXKQSYCL-RTWAWAEBSA-N 2 0 328.500 3.312 20 0 EGADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453237313 310265911 /nfs/dbraw/zinc/26/59/11/310265911.db2.gz VDICGSLMNIHQIK-BURNTYAHSA-N 2 0 330.516 3.284 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H](C)C1 ZINC000453372648 310273567 /nfs/dbraw/zinc/27/35/67/310273567.db2.gz GQTFGJJMVGGZIX-MSOLQXFVSA-N 2 0 340.552 3.044 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000456212887 310393710 /nfs/dbraw/zinc/39/37/10/310393710.db2.gz YVQAABYZCSMWTI-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000456266445 310395699 /nfs/dbraw/zinc/39/56/99/310395699.db2.gz IFXXDMSMRZPINA-YGTYGHESSA-N 2 0 329.488 3.435 20 0 EGADRP Cc1nccn1CCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459479088 310555328 /nfs/dbraw/zinc/55/53/28/310555328.db2.gz JWQFZDNNISNPBA-UHFFFAOYSA-N 2 0 349.482 3.342 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000463026219 310608396 /nfs/dbraw/zinc/60/83/96/310608396.db2.gz VTKGTEFVNRRWNI-RBUKOAKNSA-N 2 0 334.504 3.309 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC000468050421 310681545 /nfs/dbraw/zinc/68/15/45/310681545.db2.gz YJEXWMSXQQBNHE-CRAIPNDOSA-N 2 0 348.560 3.164 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000473295897 310773867 /nfs/dbraw/zinc/77/38/67/310773867.db2.gz MGKRLNKPDXOFNB-RBUKOAKNSA-N 2 0 333.520 3.135 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)NC(=O)OC(C)(C)C ZINC000492439220 311250790 /nfs/dbraw/zinc/25/07/90/311250790.db2.gz VNALULDCYQQRQZ-PMPSAXMXSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000492769104 311289039 /nfs/dbraw/zinc/28/90/39/311289039.db2.gz LZFLGOZDOZZTPK-RDJZCZTQSA-N 2 0 337.508 3.016 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1)NC(=O)OC(C)(C)C ZINC000496558396 311729988 /nfs/dbraw/zinc/72/99/88/311729988.db2.gz HRKXOJTYENAUMX-ZIAGYGMSSA-N 2 0 332.448 3.116 20 0 EGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496786843 311764869 /nfs/dbraw/zinc/76/48/69/311764869.db2.gz RNAVLVKIBHXRTG-ZBFHGGJFSA-N 2 0 341.540 3.198 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000496870254 311777768 /nfs/dbraw/zinc/77/77/68/311777768.db2.gz HLKMQRDVFQMPFA-KSZLIROESA-N 2 0 345.487 3.147 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000497008163 311800620 /nfs/dbraw/zinc/80/06/20/311800620.db2.gz AJQVCQHPPSRCNN-KLAILNCOSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000504424796 312006086 /nfs/dbraw/zinc/00/60/86/312006086.db2.gz SWOWQGKDAHLYEE-WIYYLYMNSA-N 2 0 343.559 3.142 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000507696108 312080680 /nfs/dbraw/zinc/08/06/80/312080680.db2.gz ZEDUNUZCVOEEOW-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP C[C@H](NCC1([NH+](C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690871 312099722 /nfs/dbraw/zinc/09/97/22/312099722.db2.gz LCAVAVSMXHOHOM-ICSRJNTNSA-N 3 0 329.532 3.361 20 0 EGADRP C[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000510419246 312140235 /nfs/dbraw/zinc/14/02/35/312140235.db2.gz FFZCVUADFMCJMW-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cnn(C)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512046033 312174261 /nfs/dbraw/zinc/17/42/61/312174261.db2.gz PUMAUMPPLSVNCB-MJGOQNOKSA-N 2 0 326.488 3.119 20 0 EGADRP Cc1cc(C)cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000512697361 312192688 /nfs/dbraw/zinc/19/26/88/312192688.db2.gz QJFAFHYLADVNRD-PMACEKPBSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000515089811 312265063 /nfs/dbraw/zinc/26/50/63/312265063.db2.gz NSYWAVOCKLJIKJ-MOPGFXCFSA-N 2 0 329.532 3.112 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCc2cncn2C)c(Br)c1 ZINC000515941412 312303028 /nfs/dbraw/zinc/30/30/28/312303028.db2.gz SNGHZWUTTJVEIK-NSHDSACASA-N 2 0 338.249 3.085 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000516016529 312305998 /nfs/dbraw/zinc/30/59/98/312305998.db2.gz GYSMQIUETVSPNO-CRAIPNDOSA-N 2 0 338.455 3.127 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000521422500 312545034 /nfs/dbraw/zinc/54/50/34/312545034.db2.gz KOIIOSGFZANVRH-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)CC[NH2+]C3CC3)c2)CC1 ZINC000521644102 312554683 /nfs/dbraw/zinc/55/46/83/312554683.db2.gz XUFSRSOGFQJIHG-UHFFFAOYSA-N 2 0 329.488 3.042 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CC12CC2 ZINC000527876791 312963911 /nfs/dbraw/zinc/96/39/11/312963911.db2.gz MNDTVEVANPXKHD-FXAWDEMLSA-N 2 0 328.500 3.482 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC000529544211 313351460 /nfs/dbraw/zinc/35/14/60/313351460.db2.gz VMIRSOBUBUCVOQ-UHFFFAOYSA-N 2 0 340.515 3.017 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534971306 314009493 /nfs/dbraw/zinc/00/94/93/314009493.db2.gz CGWQEQUVIRCNFY-IBGZPJMESA-N 2 0 335.923 3.333 20 0 EGADRP CC(C)OC1CC[NH+](CCC[NH+]2CCC(OC(C)C)CC2)CC1 ZINC000535724352 314063418 /nfs/dbraw/zinc/06/34/18/314063418.db2.gz OZNRBQOICPMTFP-UHFFFAOYSA-N 2 0 326.525 3.155 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000536308741 314106022 /nfs/dbraw/zinc/10/60/22/314106022.db2.gz OWNLHFMVDUNMCN-ZCNNSNEGSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)C[C@@H](C)O1 ZINC000538589297 314256237 /nfs/dbraw/zinc/25/62/37/314256237.db2.gz IUUUKNPZRBSEPL-NAIAOIPJSA-N 2 0 345.531 3.436 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000539041497 314291707 /nfs/dbraw/zinc/29/17/07/314291707.db2.gz LHLBLNDGZWIESO-RMVXJAJNSA-N 3 0 329.532 3.359 20 0 EGADRP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(C)c1F ZINC000540160833 314367081 /nfs/dbraw/zinc/36/70/81/314367081.db2.gz MJIBZNYCAMQSHA-ZYSHUDEJSA-N 2 0 334.479 3.471 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCCN2CCCC2=O)CC1)CC(C)C ZINC000540198118 314369868 /nfs/dbraw/zinc/36/98/68/314369868.db2.gz DCMRVEGJGYMWDE-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000553976370 315291851 /nfs/dbraw/zinc/29/18/51/315291851.db2.gz AFVGZZWQKJAKBR-QGZVFWFLSA-N 2 0 331.504 3.065 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@H](c2ccccc2)C1 ZINC000554724536 315345605 /nfs/dbraw/zinc/34/56/05/315345605.db2.gz JRIBBDRSWXYIJA-BQJUDKOJSA-N 2 0 327.516 3.143 20 0 EGADRP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCC[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000555022873 315362316 /nfs/dbraw/zinc/36/23/16/315362316.db2.gz RQEGLBIEZIIEIT-FCGDIQPGSA-N 2 0 326.525 3.155 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000555559128 315390482 /nfs/dbraw/zinc/39/04/82/315390482.db2.gz IBIMULJZFLPTLB-MSOLQXFVSA-N 2 0 345.531 3.497 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C2CC(C(C)(C)C)C2)c2ccccc2)CC1 ZINC000560577477 315709483 /nfs/dbraw/zinc/70/94/83/315709483.db2.gz SQIOWBBHMSMTDM-MHJFOBGBSA-N 2 0 329.532 3.389 20 0 EGADRP Cc1ccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563668512 316053108 /nfs/dbraw/zinc/05/31/08/316053108.db2.gz ADQRSLGXRCPQBN-IAGOWNOFSA-N 2 0 326.444 3.009 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000563806140 316072186 /nfs/dbraw/zinc/07/21/86/316072186.db2.gz OMSCQQXCMWSXPQ-NQIIRXRSSA-N 2 0 348.531 3.184 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000563880395 316085059 /nfs/dbraw/zinc/08/50/59/316085059.db2.gz HTTPQWMSSAKIID-CQSZACIVSA-N 2 0 335.455 3.100 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000564201066 316122955 /nfs/dbraw/zinc/12/29/55/316122955.db2.gz PDGGVXVRJLGHCN-LBPRGKRZSA-N 2 0 335.398 3.343 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)C1 ZINC000564584466 316170771 /nfs/dbraw/zinc/17/07/71/316170771.db2.gz FWSCOUYSTFIIOY-MCIONIFRSA-N 2 0 327.394 3.144 20 0 EGADRP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564586901 316171502 /nfs/dbraw/zinc/17/15/02/316171502.db2.gz ZAMUOKXTDNDIOZ-IBGZPJMESA-N 2 0 337.467 3.209 20 0 EGADRP CC(C)O[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000564915233 316232520 /nfs/dbraw/zinc/23/25/20/316232520.db2.gz FMFFHRCJBBDLFX-RTBURBONSA-N 2 0 326.525 3.155 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000564922490 316233036 /nfs/dbraw/zinc/23/30/36/316233036.db2.gz RBIHKTKAYJSRPF-HKUYNNGSSA-N 2 0 345.531 3.483 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000565410133 316320786 /nfs/dbraw/zinc/32/07/86/316320786.db2.gz YEIJQQCCWXDDJE-MOPGFXCFSA-N 2 0 347.466 3.294 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000565444513 316325150 /nfs/dbraw/zinc/32/51/50/316325150.db2.gz QUBPGMAQQXBSAX-NEPJUHHUSA-N 2 0 331.273 3.449 20 0 EGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000565544971 316338260 /nfs/dbraw/zinc/33/82/60/316338260.db2.gz WQGCKFVJAVSDGY-OAHLLOKOSA-N 2 0 343.471 3.013 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565886145 316383534 /nfs/dbraw/zinc/38/35/34/316383534.db2.gz IBZXZRBQXIGARF-QBYUYEEZSA-N 2 0 349.906 3.343 20 0 EGADRP COc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000566801201 316528970 /nfs/dbraw/zinc/52/89/70/316528970.db2.gz MMZRIHGMROGIOH-UHFFFAOYSA-N 2 0 329.419 3.236 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000568248522 316748964 /nfs/dbraw/zinc/74/89/64/316748964.db2.gz TYCLZTIIHSJMGI-ZCDKGFTFSA-N 2 0 332.488 3.171 20 0 EGADRP CSC1(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC[NH+](C)CC1 ZINC000568571161 316791208 /nfs/dbraw/zinc/79/12/08/316791208.db2.gz YAVCSNCSPCQVQE-CQSZACIVSA-N 2 0 347.528 3.049 20 0 EGADRP CCC(=O)Nc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000568965762 316847060 /nfs/dbraw/zinc/84/70/60/316847060.db2.gz YIAJLEOMHZEEPJ-UHFFFAOYSA-N 2 0 338.455 3.189 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000571164568 317160172 /nfs/dbraw/zinc/16/01/72/317160172.db2.gz NOADXJQUYUGRAC-FQEVSTJZSA-N 2 0 335.451 3.283 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000571652000 317228765 /nfs/dbraw/zinc/22/87/65/317228765.db2.gz QAEAYTGXLHBUBX-QANKJYHBSA-N 2 0 349.906 3.343 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000572112561 317292279 /nfs/dbraw/zinc/29/22/79/317292279.db2.gz PCZBOZAKTHBKRK-QFIPXVFZSA-N 2 0 340.511 3.455 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000572285748 317316048 /nfs/dbraw/zinc/31/60/48/317316048.db2.gz CIDBWNUBOKTPNJ-UHFFFAOYSA-N 2 0 334.467 3.297 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1CC[NH+](C)CC1 ZINC000572318411 317320435 /nfs/dbraw/zinc/32/04/35/317320435.db2.gz IITRCCPKSMBFAB-GFCCVEGCSA-N 2 0 343.284 3.451 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000574424342 317597038 /nfs/dbraw/zinc/59/70/38/317597038.db2.gz RJHOPROSEGORGX-ICSRJNTNSA-N 2 0 343.446 3.092 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000574523486 317608065 /nfs/dbraw/zinc/60/80/65/317608065.db2.gz UMRNECLGWAQVAR-UHFFFAOYSA-N 2 0 326.488 3.109 20 0 EGADRP CCOC1CC[NH+](CCCCC[NH+]2CCC(OCC)CC2)CC1 ZINC000172651901 455167864 /nfs/dbraw/zinc/16/78/64/455167864.db2.gz SIMHWBBRSOQMHX-UHFFFAOYSA-N 2 0 326.525 3.159 20 0 EGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CCCCCC[NH3+] ZINC000269245547 455819938 /nfs/dbraw/zinc/81/99/38/455819938.db2.gz USVKHQQLMUFHOV-UHFFFAOYSA-N 2 0 339.549 3.328 20 0 EGADRP CC(C)=CCC[C@H](C)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000193242268 323834460 /nfs/dbraw/zinc/83/44/60/323834460.db2.gz XHGNUZRPMPZFQH-SFHVURJKSA-N 2 0 337.552 3.149 20 0 EGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000387259566 324271087 /nfs/dbraw/zinc/27/10/87/324271087.db2.gz BKGZHLKFICPTEK-UHFFFAOYSA-N 2 0 326.868 3.321 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000390860270 324285522 /nfs/dbraw/zinc/28/55/22/324285522.db2.gz FAHRHBJPBAPVNQ-FQEVSTJZSA-N 2 0 329.532 3.363 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)C1 ZINC000576924966 324707549 /nfs/dbraw/zinc/70/75/49/324707549.db2.gz CXUSLQYIFSJOAF-OALUTQOASA-N 2 0 343.446 3.092 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000576944139 324712518 /nfs/dbraw/zinc/71/25/18/324712518.db2.gz VBDFJXHSGIFPIB-OXJNMPFZSA-N 2 0 347.572 3.259 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000577620261 324838397 /nfs/dbraw/zinc/83/83/97/324838397.db2.gz WSXKHJFHSZTSHF-SNVBAGLBSA-N 2 0 338.805 3.273 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000578352391 324956888 /nfs/dbraw/zinc/95/68/88/324956888.db2.gz XFZXLKJIZNXPBU-YLJYHZDGSA-N 2 0 343.515 3.196 20 0 EGADRP C(C[NH+]1CCC2(CCCCC2)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000579071385 325056257 /nfs/dbraw/zinc/05/62/57/325056257.db2.gz GRKIYUNXRZZIDS-UHFFFAOYSA-N 2 0 333.564 3.497 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000580189109 325215196 /nfs/dbraw/zinc/21/51/96/325215196.db2.gz HMEZKBXROUUKPN-JOCHJYFZSA-N 2 0 349.478 3.152 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580769235 325293682 /nfs/dbraw/zinc/29/36/82/325293682.db2.gz IWQBRVGAFZLPTR-BBWFWOEESA-N 2 0 344.421 3.071 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000581059536 325325717 /nfs/dbraw/zinc/32/57/17/325325717.db2.gz DJCXWSVMTRRBPG-SOUVJXGZSA-N 2 0 343.393 3.033 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1 ZINC000583213737 325505381 /nfs/dbraw/zinc/50/53/81/325505381.db2.gz NUWTYSGGXHAQLN-UHFFFAOYSA-N 2 0 343.446 3.244 20 0 EGADRP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000237930484 455234662 /nfs/dbraw/zinc/23/46/62/455234662.db2.gz GFZVLMWFROPANS-UHFFFAOYSA-N 2 0 343.515 3.340 20 0 EGADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(I)cc1 ZINC000423520226 458449555 /nfs/dbraw/zinc/44/95/55/458449555.db2.gz DXUMESNKWNHINY-NSHDSACASA-N 2 0 344.240 3.084 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424329968 458617666 /nfs/dbraw/zinc/61/76/66/458617666.db2.gz REEQAQQEJHAQGK-ARFHVFGLSA-N 2 0 326.525 3.453 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CCCC(=O)N2CCc3ccccc32)CC1 ZINC000180759704 455240947 /nfs/dbraw/zinc/24/09/47/455240947.db2.gz IKVMWGNKUWWOGX-UHFFFAOYSA-N 2 0 343.515 3.208 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000578412136 459195468 /nfs/dbraw/zinc/19/54/68/459195468.db2.gz JVHVHGGWJIRDTB-VXGBXAGGSA-N 2 0 337.265 3.336 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000183262725 455263849 /nfs/dbraw/zinc/26/38/49/455263849.db2.gz YRXINGJHKRTBLY-SFHVURJKSA-N 2 0 344.528 3.435 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)NC2CC[NH+](C(C)C)CC2)c1 ZINC000173619397 455317303 /nfs/dbraw/zinc/31/73/03/455317303.db2.gz ZICUWHPZJFKHIV-CQSZACIVSA-N 2 0 335.517 3.198 20 0 EGADRP [NH3+]Cc1cn([C@H]2CC[N@H+](Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000631847509 460578670 /nfs/dbraw/zinc/57/86/70/460578670.db2.gz WEHSRMDISMEDAW-LBPRGKRZSA-N 2 0 347.875 3.052 20 0 EGADRP Cc1ncccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000600811946 460612928 /nfs/dbraw/zinc/61/29/28/460612928.db2.gz CWDJIKAHRPPCQQ-UHFFFAOYSA-N 2 0 325.456 3.154 20 0 EGADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1(CC)CC ZINC000181660262 455369770 /nfs/dbraw/zinc/36/97/70/455369770.db2.gz FXHQOJWKRHYRKE-MSOLQXFVSA-N 2 0 326.525 3.061 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000081333271 453861822 /nfs/dbraw/zinc/86/18/22/453861822.db2.gz DOLIXAKBAUSPRO-AZUAARDMSA-N 2 0 345.531 3.260 20 0 EGADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000181744864 455378546 /nfs/dbraw/zinc/37/85/46/455378546.db2.gz BAVXAPHSVQFMPB-MJGOQNOKSA-N 2 0 331.504 3.036 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000066960705 453889951 /nfs/dbraw/zinc/88/99/51/453889951.db2.gz NMPZNRMREKHPFN-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000076398171 453997561 /nfs/dbraw/zinc/99/75/61/453997561.db2.gz STHXSCPCCCHUAP-STQMWFEESA-N 2 0 330.394 3.083 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000068442150 454027502 /nfs/dbraw/zinc/02/75/02/454027502.db2.gz OZIQLBUVQPFMPC-FQEVSTJZSA-N 2 0 343.515 3.032 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523437 454064787 /nfs/dbraw/zinc/06/47/87/454064787.db2.gz STXVMCOZODLEDH-HNNXBMFYSA-N 2 0 335.467 3.125 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095420252 454208453 /nfs/dbraw/zinc/20/84/53/454208453.db2.gz NQDYCPYEPBKBSY-LJQANCHMSA-N 2 0 343.515 3.050 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)CC1 ZINC000096404234 454323220 /nfs/dbraw/zinc/32/32/20/454323220.db2.gz XUIMJHXBHRGSCO-DAXSKMNVSA-N 2 0 336.479 3.446 20 0 EGADRP Clc1cccc2c1CC[C@@H]2[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000132454344 454340141 /nfs/dbraw/zinc/34/01/41/454340141.db2.gz JQOWMMDWYSXVLO-IBGZPJMESA-N 2 0 334.891 3.372 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000090936621 454351967 /nfs/dbraw/zinc/35/19/67/454351967.db2.gz CIDGISHJSOOYEI-LHHMISFZSA-N 2 0 334.504 3.201 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132615083 454352199 /nfs/dbraw/zinc/35/21/99/454352199.db2.gz RLAUCVCCXMIKGR-SFHVURJKSA-N 2 0 345.531 3.278 20 0 EGADRP CCc1ccc(-c2ccc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)o2)cc1 ZINC000072922457 454363188 /nfs/dbraw/zinc/36/31/88/454363188.db2.gz IACBZFNBOIOERA-KRWDZBQOSA-N 2 0 341.499 3.235 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000062426965 454376466 /nfs/dbraw/zinc/37/64/66/454376466.db2.gz DGBZSKYIJPYHOK-IBGZPJMESA-N 2 0 339.483 3.481 20 0 EGADRP COc1cccc(C[C@H]([NH2+]CCc2cn3ccccc3n2)C2CC2)c1 ZINC000121016399 454377124 /nfs/dbraw/zinc/37/71/24/454377124.db2.gz ZJMVGKRUZFPDKG-FQEVSTJZSA-N 2 0 335.451 3.496 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000121177977 454402635 /nfs/dbraw/zinc/40/26/35/454402635.db2.gz CXAHFFQYXHGDSC-ZWKOTPCHSA-N 2 0 329.532 3.100 20 0 EGADRP CC(C)(C)OC(=O)N1CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000121200500 454404594 /nfs/dbraw/zinc/40/45/94/454404594.db2.gz RJQYMHQUKJMVJC-UHFFFAOYSA-N 2 0 339.524 3.285 20 0 EGADRP COc1ccccc1[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000091333349 454427149 /nfs/dbraw/zinc/42/71/49/454427149.db2.gz FNOKERHDSYZXCJ-UTKZUKDTSA-N 2 0 345.531 3.152 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000047977817 454427417 /nfs/dbraw/zinc/42/74/17/454427417.db2.gz NNVZQVIAWFBWMZ-UHFFFAOYSA-N 2 0 345.531 3.482 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000048076510 454440633 /nfs/dbraw/zinc/44/06/33/454440633.db2.gz NKMZYWLJGHVWEG-UHFFFAOYSA-N 2 0 346.519 3.332 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000091734887 454464348 /nfs/dbraw/zinc/46/43/48/454464348.db2.gz QPBMCLASIBNUFV-UONOGXRCSA-N 2 0 325.522 3.029 20 0 EGADRP CC[NH+](CC)CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000064055473 454466147 /nfs/dbraw/zinc/46/61/47/454466147.db2.gz ZFDGMXLINPYAMN-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP CCC[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079863766 454491813 /nfs/dbraw/zinc/49/18/13/454491813.db2.gz KUJDGCLPTNPFQC-QGZVFWFLSA-N 2 0 331.504 3.019 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073947354 454505260 /nfs/dbraw/zinc/50/52/60/454505260.db2.gz LKXRNPOZMUMXEQ-BEFAXECRSA-N 2 0 338.455 3.237 20 0 EGADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143017 454540464 /nfs/dbraw/zinc/54/04/64/454540464.db2.gz BFZRTCRCIPTMSO-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000080645788 454611493 /nfs/dbraw/zinc/61/14/93/454611493.db2.gz PRINMGLMAYCLIN-AZUAARDMSA-N 2 0 340.552 3.405 20 0 EGADRP CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000123345063 454628265 /nfs/dbraw/zinc/62/82/65/454628265.db2.gz NNZZVLPWULTDSF-DLBZAZTESA-N 2 0 331.504 3.065 20 0 EGADRP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123395408 454632038 /nfs/dbraw/zinc/63/20/38/454632038.db2.gz HTRZYDOIWQUQFF-KRWDZBQOSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000123436122 454636580 /nfs/dbraw/zinc/63/65/80/454636580.db2.gz HTEJUEFSOUIAGU-NJAFHUGGSA-N 2 0 347.503 3.182 20 0 EGADRP C[NH+](C)C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000635002859 460646625 /nfs/dbraw/zinc/64/66/25/460646625.db2.gz ALXWWWZBKLKDQZ-JYJNAYRXSA-N 2 0 329.410 3.168 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000052209229 454660813 /nfs/dbraw/zinc/66/08/13/454660813.db2.gz SHFTYGUDNLJCCO-HXUWFJFHSA-N 2 0 348.531 3.179 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000075007866 454673745 /nfs/dbraw/zinc/67/37/45/454673745.db2.gz OXCKYUYCPIXSJZ-UHFFFAOYSA-N 2 0 338.467 3.027 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000635004961 460648121 /nfs/dbraw/zinc/64/81/21/460648121.db2.gz RMYVOTPTWMDNAE-XJKSGUPXSA-N 2 0 331.426 3.415 20 0 EGADRP Cc1cccnc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093187958 454690627 /nfs/dbraw/zinc/69/06/27/454690627.db2.gz FGVDFOZRSIEKGR-HDICACEKSA-N 2 0 331.504 3.101 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000635006018 460649473 /nfs/dbraw/zinc/64/94/73/460649473.db2.gz XFJSCUPJMZTDGR-DPMMWBKBSA-N 2 0 347.409 3.308 20 0 EGADRP CC(C)C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccn1 ZINC000635007076 460649591 /nfs/dbraw/zinc/64/95/91/460649591.db2.gz DROWWVRPXIAKTD-SFHVURJKSA-N 2 0 325.460 3.086 20 0 EGADRP CCc1ncc(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)s1 ZINC000093769388 454734941 /nfs/dbraw/zinc/73/49/41/454734941.db2.gz GDYYHDDIBPRYCA-UHFFFAOYSA-N 2 0 339.549 3.276 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009442 460651923 /nfs/dbraw/zinc/65/19/23/460651923.db2.gz GZIGEFSVTXNXPZ-YZGWKJHDSA-N 2 0 329.532 3.265 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008656 460652267 /nfs/dbraw/zinc/65/22/67/460652267.db2.gz GDEKNSVJYRCDQC-UWJYYQICSA-N 2 0 335.495 3.257 20 0 EGADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000124635152 454755371 /nfs/dbraw/zinc/75/53/71/454755371.db2.gz DJPDKVUHEZDTQQ-HLIPFELVSA-N 2 0 334.504 3.056 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1NC(C)=O ZINC000635010714 460653183 /nfs/dbraw/zinc/65/31/83/460653183.db2.gz KZXKTGDSDWFRLC-BBRMVZONSA-N 2 0 333.476 3.082 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010455 460653946 /nfs/dbraw/zinc/65/39/46/460653946.db2.gz LSNZCLGSRVBDMM-FDDCHVKYSA-N 3 0 349.522 3.333 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635010635 460654049 /nfs/dbraw/zinc/65/40/49/460654049.db2.gz UGLZPIYIXFBQNY-SJLPKXTDSA-N 2 0 348.560 3.035 20 0 EGADRP CCOc1ccccc1NC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000137518530 454782015 /nfs/dbraw/zinc/78/20/15/454782015.db2.gz JLIYWACOUYNBOY-UHFFFAOYSA-N 2 0 347.503 3.078 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000162647059 454790553 /nfs/dbraw/zinc/79/05/53/454790553.db2.gz DVHNCKXPKDNTRC-LZJOCLMNSA-N 2 0 346.515 3.201 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000138376905 454791789 /nfs/dbraw/zinc/79/17/89/454791789.db2.gz UXCCCNFHFNPHOG-INIZCTEOSA-N 2 0 346.906 3.427 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)nnn1-c1ccc(F)cc1 ZINC000125391510 454818788 /nfs/dbraw/zinc/81/87/88/454818788.db2.gz ZIUSIJLVBKLNQI-CQSZACIVSA-N 2 0 345.466 3.097 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000125735848 454842932 /nfs/dbraw/zinc/84/29/32/454842932.db2.gz SOBIBVVFGMZKDZ-OALUTQOASA-N 3 0 347.547 3.398 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)CCCO2 ZINC000635012046 460655938 /nfs/dbraw/zinc/65/59/38/460655938.db2.gz SQVUIRKALCQWIX-FQEVSTJZSA-N 2 0 338.451 3.344 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000635012596 460655956 /nfs/dbraw/zinc/65/59/56/460655956.db2.gz WYMLKDUTNBCPAI-VGSWGCGISA-N 2 0 341.543 3.465 20 0 EGADRP Cc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000154002948 454854987 /nfs/dbraw/zinc/85/49/87/454854987.db2.gz RXTTVJIOYNRKBK-HDICACEKSA-N 2 0 331.504 3.101 20 0 EGADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1cnccn1 ZINC000163587380 454856545 /nfs/dbraw/zinc/85/65/45/454856545.db2.gz UNZAHWZYKFQRLD-CQSZACIVSA-N 2 0 330.863 3.445 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CC1 ZINC000163971617 454871171 /nfs/dbraw/zinc/87/11/71/454871171.db2.gz AIJOMONGKDYBGK-OAQYLSRUSA-N 2 0 346.515 3.454 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c2cccs2)CC1 ZINC000164020007 454872451 /nfs/dbraw/zinc/87/24/51/454872451.db2.gz QRMVACHTRYTJFA-GOEBONIOSA-N 2 0 337.533 3.011 20 0 EGADRP Cc1c([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnn1C(C)C ZINC000191383553 455481983 /nfs/dbraw/zinc/48/19/83/455481983.db2.gz NSSVGFAWKNQNLV-BEVDRBHNSA-N 2 0 348.535 3.191 20 0 EGADRP CN(CC[N@H+](C)CCCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000126483112 454897413 /nfs/dbraw/zinc/89/74/13/454897413.db2.gz ZZYPKYFUIFIVSI-UHFFFAOYSA-N 2 0 337.939 3.230 20 0 EGADRP C[C@H](c1ccccn1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246410879 455485248 /nfs/dbraw/zinc/48/52/48/455485248.db2.gz RHDRDZUHUHXUDI-KZNAEPCWSA-N 2 0 331.504 3.354 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011890 460656293 /nfs/dbraw/zinc/65/62/93/460656293.db2.gz QANLOPCJUWUADY-BBRMVZONSA-N 2 0 333.476 3.082 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC[N@@H+]1C ZINC000177917694 454919642 /nfs/dbraw/zinc/91/96/42/454919642.db2.gz SPJLEVANDMGAON-CRAIPNDOSA-N 2 0 336.907 3.461 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000113441292 454926377 /nfs/dbraw/zinc/92/63/77/454926377.db2.gz RLJCEYIBUQVXCR-LBPRGKRZSA-N 2 0 331.287 3.348 20 0 EGADRP CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114469813 454954977 /nfs/dbraw/zinc/95/49/77/454954977.db2.gz CGGYQRVFRWHDGG-NRFANRHFSA-N 2 0 345.531 3.305 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000170715817 454962270 /nfs/dbraw/zinc/96/22/70/454962270.db2.gz DCKZZNWMDUJASV-UHFFFAOYSA-N 2 0 332.492 3.086 20 0 EGADRP COCCN1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000178657071 454966746 /nfs/dbraw/zinc/96/67/46/454966746.db2.gz CCVBGBWZEQCKDJ-SFHVURJKSA-N 2 0 330.472 3.133 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c(OCC[NH+](C)C)c1 ZINC000151314520 454968060 /nfs/dbraw/zinc/96/80/60/454968060.db2.gz UEAOFKZIMRXFNC-KRWDZBQOSA-N 2 0 347.503 3.138 20 0 EGADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127472542 454968235 /nfs/dbraw/zinc/96/82/35/454968235.db2.gz SZDJDDNGFZKOHC-CABCVRRESA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]([NH2+]CCOc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155228641 454977539 /nfs/dbraw/zinc/97/75/39/454977539.db2.gz OMFONTOYANELTO-QGZVFWFLSA-N 2 0 328.456 3.357 20 0 EGADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178954816 454993518 /nfs/dbraw/zinc/99/35/18/454993518.db2.gz LFPCPGLUSRQGMD-HUUCEWRRSA-N 2 0 328.378 3.301 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC1CC[NH2+]CC1 ZINC000178962421 454993641 /nfs/dbraw/zinc/99/36/41/454993641.db2.gz MHPJEXZGUZFOIC-UHFFFAOYSA-N 2 0 330.451 3.080 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000128047444 455021269 /nfs/dbraw/zinc/02/12/69/455021269.db2.gz LTTLCSKGSJXBCQ-HNNXBMFYSA-N 2 0 327.582 3.055 20 0 EGADRP C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000151833610 455036782 /nfs/dbraw/zinc/03/67/82/455036782.db2.gz LOKUWLCUAXZNPW-CYBMUJFWSA-N 2 0 327.350 3.492 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128252523 455039728 /nfs/dbraw/zinc/03/97/28/455039728.db2.gz GJIFKCNSCDBAIC-JXFKEZNVSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2)o1 ZINC000151875419 455043019 /nfs/dbraw/zinc/04/30/19/455043019.db2.gz AJZIUPOIONKWBW-INIZCTEOSA-N 2 0 328.456 3.302 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc2c(s1)CCCC2 ZINC000128354458 455048335 /nfs/dbraw/zinc/04/83/35/455048335.db2.gz CJFWFHRPXKXZGJ-INIZCTEOSA-N 2 0 335.561 3.305 20 0 EGADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1OC ZINC000179510981 455054290 /nfs/dbraw/zinc/05/42/90/455054290.db2.gz GXPDFXSKPGWIQE-SFHVURJKSA-N 2 0 343.471 3.272 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000155917389 455062565 /nfs/dbraw/zinc/06/25/65/455062565.db2.gz XRNXAFUGSWVCKH-IAGOWNOFSA-N 2 0 345.531 3.235 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Cl)s1 ZINC000128618051 455072579 /nfs/dbraw/zinc/07/25/79/455072579.db2.gz FRNZQFLSNDPTCF-CQSZACIVSA-N 2 0 329.941 3.470 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000128636922 455074081 /nfs/dbraw/zinc/07/40/81/455074081.db2.gz CFZFPNVVAGQCKR-FGZHOGPDSA-N 2 0 343.559 3.405 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000157013839 455161567 /nfs/dbraw/zinc/16/15/67/455161567.db2.gz MBRIFZFGNLDZGO-RXVVDRJESA-N 3 0 329.532 3.348 20 0 EGADRP CSCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000237331945 455174581 /nfs/dbraw/zinc/17/45/81/455174581.db2.gz MVENRRFLNLEQHO-YOEHRIQHSA-N 2 0 335.517 3.080 20 0 EGADRP CC(C)OC1CC([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000189515467 455212168 /nfs/dbraw/zinc/21/21/68/455212168.db2.gz UEQVXSPVXWXSMQ-AGXSTUJCSA-N 2 0 346.515 3.341 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000180646103 455216914 /nfs/dbraw/zinc/21/69/14/455216914.db2.gz ZCMWHGPXSBRKMO-RBBKRZOGSA-N 2 0 336.479 3.420 20 0 EGADRP CC(=O)Nc1nc(CN[C@H](C)c2cccc(-n3ccnc3)c2)cs1 ZINC000180652013 455218131 /nfs/dbraw/zinc/21/81/31/455218131.db2.gz VWDILAFKHWQKLB-GFCCVEGCSA-N 2 0 341.440 3.138 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000158205667 455280226 /nfs/dbraw/zinc/28/02/26/455280226.db2.gz PNBBEEDIBWCELT-SFHVURJKSA-N 2 0 341.503 3.430 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000158456347 455304916 /nfs/dbraw/zinc/30/49/16/455304916.db2.gz FQZSYFJCJUHANN-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000245472730 455309348 /nfs/dbraw/zinc/30/93/48/455309348.db2.gz ZLKFIQDPUJCJKX-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1=O ZINC000245477589 455310275 /nfs/dbraw/zinc/31/02/75/455310275.db2.gz UMZRCUQXOXPFLX-XLIONFOSSA-N 2 0 343.515 3.017 20 0 EGADRP COc1cccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000158639808 455318595 /nfs/dbraw/zinc/31/85/95/455318595.db2.gz ALNHVHDJTCEPNH-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000158673212 455320337 /nfs/dbraw/zinc/32/03/37/455320337.db2.gz ILTVSAPKTWCXGL-APWZRJJASA-N 2 0 343.515 3.339 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798317 455330182 /nfs/dbraw/zinc/33/01/82/455330182.db2.gz ZYUKFANLFNWBFQ-ZBFHGGJFSA-N 2 0 346.862 3.306 20 0 EGADRP COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(Cl)c1OC ZINC000245723013 455364030 /nfs/dbraw/zinc/36/40/30/455364030.db2.gz DODLRDRPPFRSNP-GDBMZVCRSA-N 2 0 338.879 3.273 20 0 EGADRP OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828967 455388781 /nfs/dbraw/zinc/38/87/81/455388781.db2.gz ZVLTUJQPWFQIKS-UGKGYDQZSA-N 2 0 349.478 3.141 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccsc1 ZINC000245928474 455401750 /nfs/dbraw/zinc/40/17/50/455401750.db2.gz XIAQPSJFCCSVGC-DLBZAZTESA-N 2 0 337.533 3.122 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623459 455415424 /nfs/dbraw/zinc/41/54/24/455415424.db2.gz GRDAGRYEHNFLKA-KXBFYZLASA-N 2 0 344.890 3.442 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000182141092 455445630 /nfs/dbraw/zinc/44/56/30/455445630.db2.gz INICBGMSOHEUBW-KRWDZBQOSA-N 2 0 345.531 3.261 20 0 EGADRP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182261359 455474232 /nfs/dbraw/zinc/47/42/32/455474232.db2.gz HSBLBLUTRUDSLM-UZLBHIALSA-N 2 0 340.467 3.113 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)OC(C)(C)C ZINC000267298725 455534317 /nfs/dbraw/zinc/53/43/17/455534317.db2.gz UCEMQCFKWCDPRO-SJLPKXTDSA-N 2 0 347.503 3.011 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000192075759 455554096 /nfs/dbraw/zinc/55/40/96/455554096.db2.gz NHUPSOLBPKJTOE-DYVFJYSZSA-N 2 0 326.843 3.274 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268000097 455577270 /nfs/dbraw/zinc/57/72/70/455577270.db2.gz CQFJODWVTNXXNA-UHFFFAOYSA-N 2 0 337.533 3.052 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000182735973 455579030 /nfs/dbraw/zinc/57/90/30/455579030.db2.gz QRIZCDHQVYMMJL-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000271432574 455634827 /nfs/dbraw/zinc/63/48/27/455634827.db2.gz BECRKMDYTDNTBO-OKZBNKHCSA-N 2 0 332.513 3.191 20 0 EGADRP CCOc1cc(C[NH+]2CCC(n3ccnc3)CC2)cc(Cl)c1O ZINC000284136775 455640734 /nfs/dbraw/zinc/64/07/34/455640734.db2.gz PWBAUBAQLUARML-UHFFFAOYSA-N 2 0 335.835 3.478 20 0 EGADRP CC(C)[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247883393 455651717 /nfs/dbraw/zinc/65/17/17/455651717.db2.gz CFBNTYZHCZJEJR-UYAOXDASSA-N 2 0 332.536 3.000 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247887071 455652068 /nfs/dbraw/zinc/65/20/68/455652068.db2.gz DIIHIFWHUXNZAT-RXVVDRJESA-N 3 0 329.532 3.491 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C2CC2)c1 ZINC000271523961 455671599 /nfs/dbraw/zinc/67/15/99/455671599.db2.gz PUACWTUQOZRXMY-FDFHNCONSA-N 2 0 342.527 3.284 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000271539932 455677178 /nfs/dbraw/zinc/67/71/78/455677178.db2.gz UCRIMPLZMXNLGN-HKCMKHECSA-N 2 0 331.287 3.345 20 0 EGADRP C[C@@H]([NH2+]CCCc1nccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271551186 455682477 /nfs/dbraw/zinc/68/24/77/455682477.db2.gz VTBPGRURHMKTHT-OAHLLOKOSA-N 2 0 333.501 3.367 20 0 EGADRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000271575340 455689326 /nfs/dbraw/zinc/68/93/26/455689326.db2.gz ZIMUJHUSPSLXKB-CWFSZBLJSA-N 2 0 332.488 3.114 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000271584771 455692604 /nfs/dbraw/zinc/69/26/04/455692604.db2.gz RZCCNRRRLBGNFE-HQRMLTQVSA-N 2 0 334.504 3.481 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248394276 455712755 /nfs/dbraw/zinc/71/27/55/455712755.db2.gz FMENDGNLYWUOOC-BZSNNMDCSA-N 2 0 335.536 3.020 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000271695206 455724610 /nfs/dbraw/zinc/72/46/10/455724610.db2.gz LKFDMUICRNHOHK-VAMGGRTRSA-N 2 0 332.463 3.171 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCNc3ccccc32)C[C@@H](C)O1 ZINC000248749693 455728281 /nfs/dbraw/zinc/72/82/81/455728281.db2.gz BVJYENXRGCNXMQ-HLIPFELVSA-N 2 0 331.504 3.412 20 0 EGADRP C[C@@H](CCC1CC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000186329662 455744820 /nfs/dbraw/zinc/74/48/20/455744820.db2.gz GZEMLRNYGKSKOE-JXFKEZNVSA-N 2 0 343.515 3.052 20 0 EGADRP CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269010580 455761967 /nfs/dbraw/zinc/76/19/67/455761967.db2.gz XHSQKWLXYHWWEG-KRWDZBQOSA-N 2 0 336.520 3.466 20 0 EGADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000269024954 455766353 /nfs/dbraw/zinc/76/63/53/455766353.db2.gz REBKNTLXHLPZRR-ZJSJBZJDSA-N 2 0 327.516 3.112 20 0 EGADRP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC(C)C ZINC000193800027 455778188 /nfs/dbraw/zinc/77/81/88/455778188.db2.gz KALGWILTDPXGIU-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000285078642 455785744 /nfs/dbraw/zinc/78/57/44/455785744.db2.gz KMBQXPUTFAWVDA-TZUVLKIQSA-N 2 0 349.906 3.074 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186589295 455800560 /nfs/dbraw/zinc/80/05/60/455800560.db2.gz ZBNOHUDNXLYOGT-RTBURBONSA-N 2 0 347.547 3.398 20 0 EGADRP CCc1nnc([C@@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000285323617 455823400 /nfs/dbraw/zinc/82/34/00/455823400.db2.gz TYAIXBRWWJYDPE-FAEJEUNOSA-N 2 0 341.503 3.461 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000252644169 455824528 /nfs/dbraw/zinc/82/45/28/455824528.db2.gz NMLUFYRJVKJCHT-SFHLNBCPSA-N 2 0 344.547 3.146 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000285432834 455845696 /nfs/dbraw/zinc/84/56/96/455845696.db2.gz YQWZIFJUFIYSMY-LHQJTOJGSA-N 2 0 344.499 3.361 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000186999292 455861167 /nfs/dbraw/zinc/86/11/67/455861167.db2.gz IXWZTGDSPIJNMJ-OAQYLSRUSA-N 2 0 329.532 3.453 20 0 EGADRP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(Cl)nc1 ZINC000272200380 455874465 /nfs/dbraw/zinc/87/44/65/455874465.db2.gz IXGWDJUOKGOHCL-XJKSGUPXSA-N 2 0 345.878 3.443 20 0 EGADRP CCn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000285716269 455902437 /nfs/dbraw/zinc/90/24/37/455902437.db2.gz PXJNLASXJIAERW-QHAWAJNXSA-N 2 0 338.499 3.293 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285749056 455908497 /nfs/dbraw/zinc/90/84/97/455908497.db2.gz YQCFTFMWJVRLGG-QFIPXVFZSA-N 2 0 336.479 3.277 20 0 EGADRP CCn1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272329224 455915396 /nfs/dbraw/zinc/91/53/96/455915396.db2.gz MRQFGJBYVSDQNA-JENIJYKNSA-N 2 0 326.488 3.464 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261669528 455925401 /nfs/dbraw/zinc/92/54/01/455925401.db2.gz GGFYWJORARIRBG-SFHVURJKSA-N 2 0 331.485 3.380 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261710795 455932349 /nfs/dbraw/zinc/93/23/49/455932349.db2.gz KXZSDTZYUSUINI-JSGCOSHPSA-N 2 0 328.403 3.246 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H]1C ZINC000280315049 455944957 /nfs/dbraw/zinc/94/49/57/455944957.db2.gz OYIIJQLSNQJLAU-LSTHTHJFSA-N 2 0 344.499 3.350 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000261843509 455957889 /nfs/dbraw/zinc/95/78/89/455957889.db2.gz VDVRNWNJSHNBBB-VDZJLULYSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000286023367 455963223 /nfs/dbraw/zinc/96/32/23/455963223.db2.gz JWDJRVIYJAKJTM-SUMWQHHRSA-N 2 0 333.476 3.035 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187967236 455974790 /nfs/dbraw/zinc/97/47/90/455974790.db2.gz NAYUFWHYERVDFF-GHTZIAJQSA-N 2 0 329.532 3.452 20 0 EGADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000261943705 455976072 /nfs/dbraw/zinc/97/60/72/455976072.db2.gz LVOPUMHXDKWRIX-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000262007276 455984642 /nfs/dbraw/zinc/98/46/42/455984642.db2.gz RXYZFDIKIFUWNO-MRXNPFEDSA-N 2 0 345.531 3.460 20 0 EGADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000262033363 455987868 /nfs/dbraw/zinc/98/78/68/455987868.db2.gz ZELMMQFBDQATSN-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3coc(C[NH3+])c3)cc2)C1 ZINC000188060203 455988375 /nfs/dbraw/zinc/98/83/75/455988375.db2.gz AEKRKAVZNQPFAN-CQSZACIVSA-N 2 0 327.428 3.223 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000286295058 456018514 /nfs/dbraw/zinc/01/85/14/456018514.db2.gz WJUGOIGJBAKAIF-NJDAHSKKSA-N 2 0 338.499 3.201 20 0 EGADRP CS[C@H](CO)[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286336869 456026552 /nfs/dbraw/zinc/02/65/52/456026552.db2.gz YDBHESDKOIHZBC-JYPHPWERSA-N 2 0 336.545 3.132 20 0 EGADRP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CC[NH2+]1 ZINC000262370037 456029731 /nfs/dbraw/zinc/02/97/31/456029731.db2.gz JXBIWOPYTPADFP-KBPBESRZSA-N 2 0 326.444 3.089 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000262699826 456053867 /nfs/dbraw/zinc/05/38/67/456053867.db2.gz HBCGKJWCNCDDSW-HXUWFJFHSA-N 2 0 331.504 3.196 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000272833100 456084405 /nfs/dbraw/zinc/08/44/05/456084405.db2.gz FOHJCNCJVLIADB-VDGAXYAQSA-N 2 0 346.515 3.422 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)CC3 ZINC000272905643 456107512 /nfs/dbraw/zinc/10/75/12/456107512.db2.gz KWGKBDMPPPRWME-QTCYRWPVSA-N 2 0 339.483 3.106 20 0 EGADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272986041 456135297 /nfs/dbraw/zinc/13/52/97/456135297.db2.gz PMBLWVNEBJWDOC-HUUCEWRRSA-N 2 0 349.544 3.193 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281176411 456155188 /nfs/dbraw/zinc/15/51/88/456155188.db2.gz IFKRALOXFLHBCO-FQEVSTJZSA-N 2 0 343.446 3.402 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236663680 456165931 /nfs/dbraw/zinc/16/59/31/456165931.db2.gz HDNDKRHZPSWDJL-FXAWDEMLSA-N 2 0 345.531 3.169 20 0 EGADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333173338 456171900 /nfs/dbraw/zinc/17/19/00/456171900.db2.gz QGHZEJSWFQIKSH-ZBFHGGJFSA-N 2 0 337.533 3.159 20 0 EGADRP Cc1cc(F)ccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000271223578 456181522 /nfs/dbraw/zinc/18/15/22/456181522.db2.gz QAOGUDFJNPHAAC-UHFFFAOYSA-N 2 0 333.495 3.125 20 0 EGADRP Cc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1C ZINC000271229661 456183094 /nfs/dbraw/zinc/18/30/94/456183094.db2.gz SXCYKLZBFGZUIN-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000236805209 456187601 /nfs/dbraw/zinc/18/76/01/456187601.db2.gz DXZXCKBYXBXTPX-DLBZAZTESA-N 2 0 337.895 3.111 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236938219 456205308 /nfs/dbraw/zinc/20/53/08/456205308.db2.gz RBIHKTKAYJSRPF-IEBWSBKVSA-N 2 0 345.531 3.483 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000273192832 456209954 /nfs/dbraw/zinc/20/99/54/456209954.db2.gz JOZIZQFYZAVZAR-QGZVFWFLSA-N 2 0 345.531 3.242 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1O ZINC000289997032 456210185 /nfs/dbraw/zinc/21/01/85/456210185.db2.gz YSXMWJSXVMYFOA-OAHLLOKOSA-N 2 0 344.455 3.192 20 0 EGADRP COc1ncccc1CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290028960 456220726 /nfs/dbraw/zinc/22/07/26/456220726.db2.gz CSWZEBMUBZUBQQ-FXAWDEMLSA-N 2 0 339.483 3.133 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000237190997 456245029 /nfs/dbraw/zinc/24/50/29/456245029.db2.gz KPRKEOULLWAYKS-RBUKOAKNSA-N 2 0 343.446 3.025 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333787163 456263145 /nfs/dbraw/zinc/26/31/45/456263145.db2.gz FOACYHHOBDXKIJ-CCNNMRHTSA-N 2 0 331.548 3.040 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+]C2CCN(C3CC3)CC2)n(-c2ccccc2)n1 ZINC000297626245 456267220 /nfs/dbraw/zinc/26/72/20/456267220.db2.gz LSDVTYLCONRFPV-INIZCTEOSA-N 2 0 338.499 3.328 20 0 EGADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000340172845 456289673 /nfs/dbraw/zinc/28/96/73/456289673.db2.gz WEKQRVURTSTDLB-ULQDDVLXSA-N 2 0 334.504 3.199 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000352777005 456297273 /nfs/dbraw/zinc/29/72/73/456297273.db2.gz FPQNBZDMKDWSOY-LNLFQRSKSA-N 2 0 348.535 3.016 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000275782572 456312077 /nfs/dbraw/zinc/31/20/77/456312077.db2.gz MTFXQSBSDJAZQH-SFHVURJKSA-N 2 0 347.522 3.420 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000352800805 456319567 /nfs/dbraw/zinc/31/95/67/456319567.db2.gz PZGOZUTWMVMLSV-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000340225609 456323873 /nfs/dbraw/zinc/32/38/73/456323873.db2.gz KNKWDMSLTAKSSB-LJQANCHMSA-N 2 0 343.515 3.181 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000275869575 456337860 /nfs/dbraw/zinc/33/78/60/456337860.db2.gz YTTBYIOEIYCZFC-SFHVURJKSA-N 2 0 347.522 3.420 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000352852713 456363459 /nfs/dbraw/zinc/36/34/59/456363459.db2.gz HKIWHNDZAMSQKJ-UHFFFAOYSA-N 2 0 342.478 3.482 20 0 EGADRP CC[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000337568504 456387596 /nfs/dbraw/zinc/38/75/96/456387596.db2.gz BJYZBEYTEYYKNK-PMACEKPBSA-N 2 0 345.531 3.055 20 0 EGADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282175468 456434879 /nfs/dbraw/zinc/43/48/79/456434879.db2.gz FHFVHWHIDGITAO-QGZVFWFLSA-N 2 0 325.447 3.032 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1C ZINC000282253494 456457688 /nfs/dbraw/zinc/45/76/88/456457688.db2.gz QOADMHPNIAUXLF-OAHLLOKOSA-N 2 0 332.517 3.353 20 0 EGADRP c1nn(Cc2ccccc2)cc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298538161 456483909 /nfs/dbraw/zinc/48/39/09/456483909.db2.gz SSAMYVFQGBOVRX-UHFFFAOYSA-N 2 0 347.466 3.085 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)[C@]2(C)CCCO2)cc1 ZINC000340472166 456479774 /nfs/dbraw/zinc/47/97/74/456479774.db2.gz COUWWGNOTYKXEF-PXNSSMCTSA-N 2 0 334.504 3.454 20 0 EGADRP O=C(C=Cc1c[nH]cn1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000276653064 456542843 /nfs/dbraw/zinc/54/28/43/456542843.db2.gz WWIJVMUFCXAAAD-DKRLNXSXSA-N 2 0 344.846 3.030 20 0 EGADRP CSC1(C[NH2+]Cc2ncc(C(C)(C)C)s2)CC[NH+](C)CC1 ZINC000353189391 456549196 /nfs/dbraw/zinc/54/91/96/456549196.db2.gz MWWPJSCAVUNWSH-UHFFFAOYSA-N 2 0 327.563 3.358 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1OC ZINC000298832148 456550989 /nfs/dbraw/zinc/55/09/89/456550989.db2.gz HSTRHQKQDPKYPU-WMLDXEAASA-N 2 0 341.455 3.173 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000298869444 456558606 /nfs/dbraw/zinc/55/86/06/456558606.db2.gz KCVWPEDCMNJWCF-AWEZNQCLSA-N 2 0 329.444 3.030 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189140 456558906 /nfs/dbraw/zinc/55/89/06/456558906.db2.gz OYDKWOIQMWIDGO-PBHICJAKSA-N 2 0 344.421 3.403 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2OC(F)F)CC[NH+](C)CC1 ZINC000353211565 456562982 /nfs/dbraw/zinc/56/29/82/456562982.db2.gz OETQZBQCCLNCGP-UHFFFAOYSA-N 2 0 330.444 3.205 20 0 EGADRP C[C@@H](CO)C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000651955830 462391625 /nfs/dbraw/zinc/39/16/25/462391625.db2.gz BEENKHMUFISTFX-SFHVURJKSA-N 2 0 346.515 3.002 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)CC1 ZINC000353265759 456597934 /nfs/dbraw/zinc/59/79/34/456597934.db2.gz AZRASIDOAOAICO-FQEVSTJZSA-N 2 0 327.516 3.246 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291342415 456612461 /nfs/dbraw/zinc/61/24/61/456612461.db2.gz WYGXILLJMUVYLV-SJLPKXTDSA-N 2 0 344.503 3.131 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc21 ZINC000282748240 456613013 /nfs/dbraw/zinc/61/30/13/456613013.db2.gz AOKCAGYFPBJNPR-RBUKOAKNSA-N 2 0 328.456 3.020 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000283194088 456732721 /nfs/dbraw/zinc/73/27/21/456732721.db2.gz KVXGNYVIDDWKCA-YSGRDPCXSA-N 2 0 342.483 3.242 20 0 EGADRP Cc1ccn2c(CN3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cnc2c1 ZINC000353572005 456771062 /nfs/dbraw/zinc/77/10/62/456771062.db2.gz ZMRVRRBZIVLLJB-SFHVURJKSA-N 2 0 334.467 3.349 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000291841408 456774382 /nfs/dbraw/zinc/77/43/82/456774382.db2.gz CPLMEEIYYRKBMI-UHFFFAOYSA-N 2 0 341.543 3.214 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000277335409 456783043 /nfs/dbraw/zinc/78/30/43/456783043.db2.gz UPPNXFIBGXYJPW-ICSRJNTNSA-N 2 0 348.556 3.263 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277335137 456783101 /nfs/dbraw/zinc/78/31/01/456783101.db2.gz SCDKDSKVDRCDJX-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348642887 456796537 /nfs/dbraw/zinc/79/65/37/456796537.db2.gz OCGTUZWGRFQSLL-BZSNNMDCSA-N 2 0 334.504 3.076 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000348676018 456812541 /nfs/dbraw/zinc/81/25/41/456812541.db2.gz BVEHLUZKYNUZJJ-KSZLIROESA-N 2 0 334.504 3.076 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C12CCCC2 ZINC000353632432 456816749 /nfs/dbraw/zinc/81/67/49/456816749.db2.gz TXNPMBROMSXDNG-JKSUJKDBSA-N 2 0 326.550 3.141 20 0 EGADRP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000338953610 456873412 /nfs/dbraw/zinc/87/34/12/456873412.db2.gz SKJIOIOKPYXOLP-UHFFFAOYSA-N 2 0 326.488 3.313 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccco1 ZINC000339073042 456926575 /nfs/dbraw/zinc/92/65/75/456926575.db2.gz ZBOSGKCCCGVSBL-QZTJIDSGSA-N 2 0 339.439 3.248 20 0 EGADRP C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000353880642 456948740 /nfs/dbraw/zinc/94/87/40/456948740.db2.gz JTQKPATVJXYXRJ-DNVCBOLYSA-N 2 0 342.487 3.162 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000353906969 456960581 /nfs/dbraw/zinc/96/05/81/456960581.db2.gz PYDPTDDQDUSHLR-AZUAARDMSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000345205248 456966272 /nfs/dbraw/zinc/96/62/72/456966272.db2.gz JVGGGQVAGNXXHA-QZTJIDSGSA-N 2 0 326.488 3.436 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000349468078 456973662 /nfs/dbraw/zinc/97/36/62/456973662.db2.gz YEKSKGRBBPATIY-OXQOHEQNSA-N 2 0 333.520 3.292 20 0 EGADRP CCc1nocc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000339194613 456986862 /nfs/dbraw/zinc/98/68/62/456986862.db2.gz GLBWGLMWOUJJFA-HOTGVXAUSA-N 2 0 343.471 3.136 20 0 EGADRP CC[C@@H](C(=O)NC1CC[NH+](CC(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339269029 457031233 /nfs/dbraw/zinc/03/12/33/457031233.db2.gz HPUVVJGKJZLAIT-FQEVSTJZSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(C(C)C)n1 ZINC000362663357 457032102 /nfs/dbraw/zinc/03/21/02/457032102.db2.gz LFRJCKYWAYNCMF-HKUYNNGSSA-N 2 0 339.487 3.433 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000354081032 457049121 /nfs/dbraw/zinc/04/91/21/457049121.db2.gz DKAXNMCBYIKBCE-HNNXBMFYSA-N 2 0 325.522 3.199 20 0 EGADRP CNC(=O)c1cccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000356574855 457063590 /nfs/dbraw/zinc/06/35/90/457063590.db2.gz JMMZKFLRVUIGCE-HKUYNNGSSA-N 2 0 343.515 3.133 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)CCC2 ZINC000359525918 457092984 /nfs/dbraw/zinc/09/29/84/457092984.db2.gz SXSJMSGVWFRULO-QUCCMNQESA-N 2 0 332.488 3.019 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)C1 ZINC000339435713 457118384 /nfs/dbraw/zinc/11/83/84/457118384.db2.gz AWPCKQWQHIDBNZ-KRWDZBQOSA-N 2 0 341.499 3.485 20 0 EGADRP Cc1sc2ncnc(N(CCC[NH+](C)C)CCC[NH+](C)C)c2c1C ZINC000359751386 457127247 /nfs/dbraw/zinc/12/72/47/457127247.db2.gz ZAAIJIQWIPNWLC-UHFFFAOYSA-N 2 0 349.548 3.018 20 0 EGADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000359883385 457138657 /nfs/dbraw/zinc/13/86/57/457138657.db2.gz LMYUPEANTKYHLQ-QGZVFWFLSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000359910802 457142980 /nfs/dbraw/zinc/14/29/80/457142980.db2.gz LNFMVWJHUIZZCI-DBXWQHBBSA-N 2 0 329.532 3.348 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000359910810 457143261 /nfs/dbraw/zinc/14/32/61/457143261.db2.gz LNFMVWJHUIZZCI-OPYAIIAOSA-N 2 0 329.532 3.348 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000354297686 457180471 /nfs/dbraw/zinc/18/04/71/457180471.db2.gz VGSNRTDOYUVQSD-UHOSZYNNSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000356849505 457183516 /nfs/dbraw/zinc/18/35/16/457183516.db2.gz PNWIDYJQAJDLLT-BMQTXXJKSA-N 2 0 346.515 3.201 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000346868033 457186475 /nfs/dbraw/zinc/18/64/75/457186475.db2.gz JBMKVQKXJXSFCU-MRXNPFEDSA-N 2 0 333.520 3.311 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000339681095 457210944 /nfs/dbraw/zinc/21/09/44/457210944.db2.gz DWSXYMBHFJWEGS-IAGOWNOFSA-N 2 0 335.561 3.475 20 0 EGADRP CCOC(=O)c1coc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000354455868 457233613 /nfs/dbraw/zinc/23/36/13/457233613.db2.gz HLDFRGICTMVYTH-UHFFFAOYSA-N 2 0 336.476 3.304 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354502157 457259911 /nfs/dbraw/zinc/25/99/11/457259911.db2.gz QKJNVAXSYDDDJG-AWEZNQCLSA-N 2 0 337.895 3.249 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000342412918 457290187 /nfs/dbraw/zinc/29/01/87/457290187.db2.gz HTVRADVJJKKWJF-GJZGRUSLSA-N 2 0 345.409 3.233 20 0 EGADRP COc1ccc2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)sc2c1 ZINC000357047362 457297162 /nfs/dbraw/zinc/29/71/62/457297162.db2.gz JNVSCDZPIYRSAK-CQSZACIVSA-N 2 0 331.485 3.126 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]12 ZINC000351472516 457298706 /nfs/dbraw/zinc/29/87/06/457298706.db2.gz AZSJTNLQJYMURE-DFQSSKMNSA-N 2 0 335.451 3.108 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000357087769 457315428 /nfs/dbraw/zinc/31/54/28/457315428.db2.gz SHXMNSZOLDSYIB-HKUYNNGSSA-N 2 0 343.515 3.260 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000360495639 457316432 /nfs/dbraw/zinc/31/64/32/457316432.db2.gz MIQJUSRCXCBBGB-MRXNPFEDSA-N 2 0 332.488 3.379 20 0 EGADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CCCC1 ZINC000342478476 457326254 /nfs/dbraw/zinc/32/62/54/457326254.db2.gz SDRWXRCMDODWQX-FQEVSTJZSA-N 2 0 343.515 3.032 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357109207 457326876 /nfs/dbraw/zinc/32/68/76/457326876.db2.gz WTHSTDNGQLTWLF-MSOLQXFVSA-N 2 0 332.451 3.067 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[NH+](CC)CC ZINC000342507978 457341702 /nfs/dbraw/zinc/34/17/02/457341702.db2.gz KXJGAUVSFHESCI-SFHVURJKSA-N 2 0 344.503 3.262 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320017 457351060 /nfs/dbraw/zinc/35/10/60/457351060.db2.gz PKPFAOUVXANCLD-FWZVCBSNSA-N 2 0 327.516 3.112 20 0 EGADRP CCOC(=O)CCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433913 457364259 /nfs/dbraw/zinc/36/42/59/457364259.db2.gz ZBGIJOIKKCWWMK-UXHICEINSA-N 2 0 344.499 3.174 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000342586643 457381798 /nfs/dbraw/zinc/38/17/98/457381798.db2.gz MZBGVDWCDNRBSF-XUVXKRRUSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352477699 457397716 /nfs/dbraw/zinc/39/77/16/457397716.db2.gz OBUMVVGNAOZFIP-INIZCTEOSA-N 2 0 349.494 3.186 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817163 457413817 /nfs/dbraw/zinc/41/38/17/457413817.db2.gz YNDUQYWQIALTBG-CVEARBPZSA-N 2 0 328.460 3.380 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000355759526 457414295 /nfs/dbraw/zinc/41/42/95/457414295.db2.gz BGQADAIVFSZTTE-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000352503989 457422828 /nfs/dbraw/zinc/42/28/28/457422828.db2.gz LYSVOVAKXQJDDK-IBGZPJMESA-N 2 0 325.456 3.364 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000390721202 457439637 /nfs/dbraw/zinc/43/96/37/457439637.db2.gz FPXJDMGPDJLJES-UONOGXRCSA-N 2 0 327.513 3.141 20 0 EGADRP CSc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369882871 457443718 /nfs/dbraw/zinc/44/37/18/457443718.db2.gz NPGNVQZMKBELAE-DOTOQJQBSA-N 2 0 333.545 3.228 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CCCCC(F)(F)F)CC2)CC1 ZINC000363799500 457446978 /nfs/dbraw/zinc/44/69/78/457446978.db2.gz ZFJSMXWPFPJOBE-UHFFFAOYSA-N 2 0 335.458 3.069 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000347477023 457453281 /nfs/dbraw/zinc/45/32/81/457453281.db2.gz MSUHQBQLHJGVLA-QFBILLFUSA-N 2 0 331.504 3.052 20 0 EGADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000357361363 457473445 /nfs/dbraw/zinc/47/34/45/457473445.db2.gz JFLBDGVGTFWUQN-UHFFFAOYSA-N 2 0 343.515 3.264 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000395653040 457477678 /nfs/dbraw/zinc/47/76/78/457477678.db2.gz YYNPQGLTZHWTTG-YTQUADARSA-N 2 0 345.531 3.037 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]CC3(SC)CCC3)cc2)CC1 ZINC000356171893 457505153 /nfs/dbraw/zinc/50/51/53/457505153.db2.gz BXDBJYUJUBVFHG-UHFFFAOYSA-N 2 0 347.572 3.199 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399107836 457505895 /nfs/dbraw/zinc/50/58/95/457505895.db2.gz YGCIOXSIEAYETO-BRWVUGGUSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)CC[N@@H+]1C ZINC000357414281 457507442 /nfs/dbraw/zinc/50/74/42/457507442.db2.gz MKTMJWCVEZLBLI-GOEBONIOSA-N 2 0 325.412 3.086 20 0 EGADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000425354914 457516194 /nfs/dbraw/zinc/51/61/94/457516194.db2.gz OEXAICGNTQPYST-VVWQDTPRSA-N 2 0 334.529 3.279 20 0 EGADRP Fc1ccc(Br)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401162403 457524227 /nfs/dbraw/zinc/52/42/27/457524227.db2.gz UASARTKGAUQUIY-COPLHBTASA-N 2 0 327.241 3.066 20 0 EGADRP CC[N@H+](CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000352688249 457532681 /nfs/dbraw/zinc/53/26/81/457532681.db2.gz WAFYPBCUASJJPK-MJGOQNOKSA-N 2 0 348.535 3.016 20 0 EGADRP CO[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000425418429 457543131 /nfs/dbraw/zinc/54/31/31/457543131.db2.gz IPIHUOIXFPJRJT-LEWJYISDSA-N 2 0 328.500 3.400 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CC[C@H](C(=O)OC)c2ccccc2)CC1 ZINC000425421942 457546449 /nfs/dbraw/zinc/54/64/49/457546449.db2.gz MRSDOAJPOUZFQN-IBGZPJMESA-N 2 0 332.488 3.140 20 0 EGADRP COc1cccc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374281207 457564919 /nfs/dbraw/zinc/56/49/19/457564919.db2.gz WXEGCRSUSPQVJI-FQEVSTJZSA-N 2 0 325.456 3.092 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000361075299 457566010 /nfs/dbraw/zinc/56/60/10/457566010.db2.gz GMFWPLLPMVVKRG-NRFANRHFSA-N 2 0 329.532 3.317 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc(O)c3)CC2)CC1 ZINC000374282661 457566548 /nfs/dbraw/zinc/56/65/48/457566548.db2.gz GJOBYAYNFLBVFD-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccsc2S1 ZINC000361183375 457634034 /nfs/dbraw/zinc/63/40/34/457634034.db2.gz UESBWAFWPHIYEU-ZBFHGGJFSA-N 2 0 339.574 3.291 20 0 EGADRP CCc1nc(CN2CCC(C[NH2+]C[C@H]3CCSC3)CC2)cs1 ZINC000370526375 457666064 /nfs/dbraw/zinc/66/60/64/457666064.db2.gz JTDFOZOFWMTJFN-OAHLLOKOSA-N 2 0 339.574 3.260 20 0 EGADRP Cc1nc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000357792316 457691762 /nfs/dbraw/zinc/69/17/62/457691762.db2.gz KAOLJPSHBNBNMA-DNVCBOLYSA-N 2 0 327.472 3.477 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000370654288 457691978 /nfs/dbraw/zinc/69/19/78/457691978.db2.gz XXOLHRPQAZDCIZ-MDZRGWNJSA-N 2 0 335.923 3.486 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671387 457697289 /nfs/dbraw/zinc/69/72/89/457697289.db2.gz QSSVAPSOEYUCAY-RTWAWAEBSA-N 2 0 345.506 3.049 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000357863299 457716011 /nfs/dbraw/zinc/71/60/11/457716011.db2.gz MHTZJAPRFPUHQT-GOSISDBHSA-N 2 0 343.515 3.134 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000358021157 457741752 /nfs/dbraw/zinc/74/17/52/457741752.db2.gz MKDVONUTLXCQCW-OXJNMPFZSA-N 2 0 326.488 3.043 20 0 EGADRP CC(C)(C)C(=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433141897 457764089 /nfs/dbraw/zinc/76/40/89/457764089.db2.gz BKPFBOMUDFJWJT-UHFFFAOYSA-N 2 0 345.487 3.057 20 0 EGADRP CCSc1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433134713 457764509 /nfs/dbraw/zinc/76/45/09/457764509.db2.gz HLEICHDRGFDEPD-HNNXBMFYSA-N 2 0 349.544 3.179 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000433150396 457766216 /nfs/dbraw/zinc/76/62/16/457766216.db2.gz WPCJAKKEEMCLOZ-SFHVURJKSA-N 2 0 349.906 3.207 20 0 EGADRP CCc1cc(NCC2([NH+]3CCCC3)CCOCC2)c2ccccc2[nH+]1 ZINC000443687335 457803695 /nfs/dbraw/zinc/80/36/95/457803695.db2.gz ZJMUDOIEPSYQGE-UHFFFAOYSA-N 2 0 339.483 3.276 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358152717 457818205 /nfs/dbraw/zinc/81/82/05/457818205.db2.gz HRFIAMGGJKOLHQ-YWZLYKJASA-N 2 0 346.446 3.150 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)cc2c1 ZINC000411256020 457842911 /nfs/dbraw/zinc/84/29/11/457842911.db2.gz HPQQHEKSCFOLJI-GOSISDBHSA-N 2 0 339.483 3.087 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375234760 457842875 /nfs/dbraw/zinc/84/28/75/457842875.db2.gz UAPCJVHTVHBTTP-IBGZPJMESA-N 2 0 329.532 3.406 20 0 EGADRP c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1C[NH+]1CCCCC1 ZINC000411323620 457858361 /nfs/dbraw/zinc/85/83/61/457858361.db2.gz LMLIWQOPPFHYRJ-VQTJNVASSA-N 2 0 346.540 3.379 20 0 EGADRP COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411397595 457874831 /nfs/dbraw/zinc/87/48/31/457874831.db2.gz HZKLVHPHXZDSSD-IBGZPJMESA-N 2 0 330.472 3.200 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000371344818 457875830 /nfs/dbraw/zinc/87/58/30/457875830.db2.gz NLFQSXVSRYZFPP-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358233796 457876343 /nfs/dbraw/zinc/87/63/43/457876343.db2.gz FJFLEZVFNADRJB-VBKZILBWSA-N 2 0 343.446 3.184 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000366705033 457889866 /nfs/dbraw/zinc/88/98/66/457889866.db2.gz AEYHBQVAGSRCNC-IOJLRTSASA-N 2 0 338.499 3.300 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000361833504 457894124 /nfs/dbraw/zinc/89/41/24/457894124.db2.gz OEBDMIUWUMIISX-QGZVFWFLSA-N 2 0 340.895 3.281 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCCCOc1ccccc1 ZINC000375355623 457894362 /nfs/dbraw/zinc/89/43/62/457894362.db2.gz KNTNSMGZLAFNNG-NRSPTQNISA-N 2 0 346.515 3.419 20 0 EGADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411534756 457914344 /nfs/dbraw/zinc/91/43/44/457914344.db2.gz QAWHMTJWLXESTF-IAGOWNOFSA-N 2 0 332.488 3.350 20 0 EGADRP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609180 457917069 /nfs/dbraw/zinc/91/70/69/457917069.db2.gz ALAGWXTUZRJIGO-GOSISDBHSA-N 2 0 326.488 3.377 20 0 EGADRP Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361891788 457935434 /nfs/dbraw/zinc/93/54/34/457935434.db2.gz YNGFMNDUXQFKQD-QXAKKESOSA-N 2 0 328.456 3.122 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n(-c2ccccc2)n1 ZINC000358344724 457948906 /nfs/dbraw/zinc/94/89/06/457948906.db2.gz XOXIVCYCTIXIQL-HQRMLTQVSA-N 2 0 338.499 3.328 20 0 EGADRP C[C@H]1C[N@H+](CCCc2ccccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371697418 458037960 /nfs/dbraw/zinc/03/79/60/458037960.db2.gz WAZNDKABMCIXIL-PXNSSMCTSA-N 2 0 349.950 3.230 20 0 EGADRP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000368445621 458039155 /nfs/dbraw/zinc/03/91/55/458039155.db2.gz MPCAEAPXNUSEFX-JWRWLIQVSA-N 2 0 339.483 3.036 20 0 EGADRP c1sc(Cc2ccccc2)nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503413 458043628 /nfs/dbraw/zinc/04/36/28/458043628.db2.gz GBKQHQAZRLEMHC-UHFFFAOYSA-N 2 0 327.497 3.309 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427863927 458045670 /nfs/dbraw/zinc/04/56/70/458045670.db2.gz KKVVXNIQVVLGDA-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP O[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]2C1 ZINC000412044622 458062682 /nfs/dbraw/zinc/06/26/82/458062682.db2.gz MFUCXVMBKAKNHT-NJDAHSKKSA-N 2 0 328.500 3.265 20 0 EGADRP CCOc1c(OC)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000368963681 458067116 /nfs/dbraw/zinc/06/71/16/458067116.db2.gz BXYQMIGCWIKXKL-UHFFFAOYSA-N 2 0 348.487 3.163 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCN(C(=O)C4CC4)CC3)CC2)C1 ZINC000358612655 458107837 /nfs/dbraw/zinc/10/78/37/458107837.db2.gz WMDORWVXNLBZRV-JXFKEZNVSA-N 2 0 347.547 3.020 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435372861 458121756 /nfs/dbraw/zinc/12/17/56/458121756.db2.gz SUFUVKBZHZYLRO-OCCSQVGLSA-N 2 0 346.393 3.196 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000435372890 458121984 /nfs/dbraw/zinc/12/19/84/458121984.db2.gz LIMLGLIDPJELBA-GUYCJALGSA-N 2 0 346.906 3.371 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000435372887 458123112 /nfs/dbraw/zinc/12/31/12/458123112.db2.gz LIMLGLIDPJELBA-CXAGYDPISA-N 2 0 346.906 3.371 20 0 EGADRP CCCN(Cc1cccc(Br)c1OC)C1CC[NH2+]CC1 ZINC000435380654 458128873 /nfs/dbraw/zinc/12/88/73/458128873.db2.gz SIKUBFFWZGOWDL-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000358655817 458132762 /nfs/dbraw/zinc/13/27/62/458132762.db2.gz BQERVUVPBLZBBA-DLBZAZTESA-N 2 0 348.535 3.144 20 0 EGADRP CN(Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435435855 458146143 /nfs/dbraw/zinc/14/61/43/458146143.db2.gz COLNPJIJUWIWQD-OAHLLOKOSA-N 2 0 345.468 3.113 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)CCN1Cc1ccccc1 ZINC000358717943 458168052 /nfs/dbraw/zinc/16/80/52/458168052.db2.gz GRFFHGJSQBKSOO-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H](NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626368 458176740 /nfs/dbraw/zinc/17/67/40/458176740.db2.gz ODVIHWXUJRYCHR-FUHWJXTLSA-N 2 0 339.483 3.091 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376203023 458233047 /nfs/dbraw/zinc/23/30/47/458233047.db2.gz ILOKWUQPUWNAAO-XMSQKQJNSA-N 2 0 337.511 3.298 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000447598736 458319270 /nfs/dbraw/zinc/31/92/70/458319270.db2.gz IANJOUZXRQWDGE-INIZCTEOSA-N 2 0 330.394 3.324 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459328627 458330943 /nfs/dbraw/zinc/33/09/43/458330943.db2.gz QCQQUXRAKAQGIP-UHFFFAOYSA-N 2 0 346.906 3.381 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459351529 458340162 /nfs/dbraw/zinc/34/01/62/458340162.db2.gz HCQZBPQKEPDAKV-INIZCTEOSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000372990296 458368550 /nfs/dbraw/zinc/36/85/50/458368550.db2.gz PGRDYNOBJHKVGZ-QUCCMNQESA-N 2 0 332.488 3.161 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459462321 458378911 /nfs/dbraw/zinc/37/89/11/458378911.db2.gz KVMQKWDDHXEEDI-ROUUACIJSA-N 3 0 342.531 3.293 20 0 EGADRP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H](C)[C@@H]1OC ZINC000459465532 458381351 /nfs/dbraw/zinc/38/13/51/458381351.db2.gz NVYFTHYRLZDHPE-IPELMVKDSA-N 2 0 331.504 3.480 20 0 EGADRP OC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1F ZINC000459521133 458398731 /nfs/dbraw/zinc/39/87/31/458398731.db2.gz DBYVXKBIGSCROC-KRWDZBQOSA-N 2 0 349.837 3.166 20 0 EGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423427667 458431531 /nfs/dbraw/zinc/43/15/31/458431531.db2.gz GCGKOUICUPVZDU-GVDBMIGSSA-N 2 0 335.289 3.414 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423438196 458433830 /nfs/dbraw/zinc/43/38/30/458433830.db2.gz MTBAQCLIBBNSBG-ZNZDAUKMSA-N 2 0 342.487 3.009 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H]2CCCO[C@@H]21 ZINC000423469789 458437594 /nfs/dbraw/zinc/43/75/94/458437594.db2.gz KOSSJWPAWRVDAN-ZMHJYQQXSA-N 2 0 346.490 3.312 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423479217 458439847 /nfs/dbraw/zinc/43/98/47/458439847.db2.gz URXZVRVCTCBCKK-ONUIULTDSA-N 3 0 327.516 3.289 20 0 EGADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491418 458442428 /nfs/dbraw/zinc/44/24/28/458442428.db2.gz JOXHCAGAZSNCCJ-HOTGVXAUSA-N 2 0 329.488 3.192 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423494833 458443704 /nfs/dbraw/zinc/44/37/04/458443704.db2.gz BCCAYSKNKOEEQO-QFBILLFUSA-N 2 0 325.456 3.474 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000423540647 458454822 /nfs/dbraw/zinc/45/48/22/458454822.db2.gz KEGPLVMKXNSOBN-QKGUJMCYSA-N 2 0 332.488 3.174 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000459721722 458456836 /nfs/dbraw/zinc/45/68/36/458456836.db2.gz ARHLJVURHWAJLL-ICSRJNTNSA-N 2 0 332.488 3.066 20 0 EGADRP CSc1cc2c(cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)OCCO2 ZINC000459722880 458456930 /nfs/dbraw/zinc/45/69/30/458456930.db2.gz CESXPTBQZNHNEP-AWEZNQCLSA-N 2 0 336.501 3.001 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NCCC[NH2+]C3CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423556095 458456962 /nfs/dbraw/zinc/45/69/62/458456962.db2.gz MKLHEHNYBKEYKJ-ACRUOGEOSA-N 2 0 327.516 3.161 20 0 EGADRP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000423551863 458457269 /nfs/dbraw/zinc/45/72/69/458457269.db2.gz ULJBCXSUBHZWHY-XDQVBPFNSA-N 2 0 338.879 3.396 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[NH2+]C1CC1 ZINC000423558518 458457472 /nfs/dbraw/zinc/45/74/72/458457472.db2.gz NVCWEQXUFVYVND-LLVKDONJSA-N 2 0 329.257 3.251 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430571991 458463051 /nfs/dbraw/zinc/46/30/51/458463051.db2.gz OVRJNMQZSOXARE-NVXWUHKLSA-N 2 0 325.456 3.228 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000459738368 458463164 /nfs/dbraw/zinc/46/31/64/458463164.db2.gz RQSOZMMHQZGYBD-OAHLLOKOSA-N 2 0 332.879 3.347 20 0 EGADRP C[C@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccn(C)n1 ZINC000459744389 458466564 /nfs/dbraw/zinc/46/65/64/458466564.db2.gz HYURUZFKYQFLQS-AWEZNQCLSA-N 2 0 332.879 3.389 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430602655 458470290 /nfs/dbraw/zinc/47/02/90/458470290.db2.gz HNWIZAQRRLSOBH-INIZCTEOSA-N 2 0 325.456 3.100 20 0 EGADRP COc1ccccc1-n1nccc1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000430764866 458490040 /nfs/dbraw/zinc/49/00/40/458490040.db2.gz UHVZVTRHYBVBLW-QGZVFWFLSA-N 2 0 342.487 3.187 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000430772469 458490970 /nfs/dbraw/zinc/49/09/70/458490970.db2.gz BMWFYRYDFMBEEN-WDSOQIARSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000373434071 458492190 /nfs/dbraw/zinc/49/21/90/458492190.db2.gz BOHVJQXMXODUCO-GHTZIAJQSA-N 2 0 341.499 3.389 20 0 EGADRP Fc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377760048 458515481 /nfs/dbraw/zinc/51/54/81/458515481.db2.gz INHNVKJTPBMGDF-MSOLQXFVSA-N 2 0 325.431 3.175 20 0 EGADRP COc1ccccc1-c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000431015405 458517610 /nfs/dbraw/zinc/51/76/10/458517610.db2.gz UIIVHOGMZONHFU-UHFFFAOYSA-N 2 0 343.496 3.394 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000423953844 458520590 /nfs/dbraw/zinc/52/05/90/458520590.db2.gz JTPZVYBHVNSRNU-LJQANCHMSA-N 2 0 331.504 3.166 20 0 EGADRP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCc2ccccc2C1 ZINC000431077551 458526081 /nfs/dbraw/zinc/52/60/81/458526081.db2.gz PBVVJGYRTWXMNQ-INIZCTEOSA-N 2 0 328.460 3.033 20 0 EGADRP Cn1ccnc1[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000377825354 458543363 /nfs/dbraw/zinc/54/33/63/458543363.db2.gz AZKHZAZBVQDUCL-LJQANCHMSA-N 2 0 340.515 3.368 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000438198405 458548567 /nfs/dbraw/zinc/54/85/67/458548567.db2.gz JPFNJOZVINYDQN-DMRZNYOFSA-N 2 0 334.426 3.075 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000424080422 458552777 /nfs/dbraw/zinc/55/27/77/458552777.db2.gz VOPMIVPWCWDUGP-QKLQHJQFSA-N 2 0 345.531 3.364 20 0 EGADRP [NH3+][C@@H](CCC(=O)NCCc1cn2ccccc2n1)CC1CCCCC1 ZINC000424141768 458569523 /nfs/dbraw/zinc/56/95/23/458569523.db2.gz XILQMGWLVRJESI-KRWDZBQOSA-N 2 0 342.487 3.071 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000431572666 458591131 /nfs/dbraw/zinc/59/11/31/458591131.db2.gz VLIRQLSKMPPFPQ-SJORKVTESA-N 2 0 345.512 3.160 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424272951 458601064 /nfs/dbraw/zinc/60/10/64/458601064.db2.gz VPBAAXPEZGBEKS-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccn(-c3c(F)cccc3F)n1)CC[NH2+]CC2 ZINC000424300588 458608959 /nfs/dbraw/zinc/60/89/59/458608959.db2.gz WVNZLJGEIYHXPF-CQSZACIVSA-N 2 0 346.425 3.115 20 0 EGADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424300513 458609448 /nfs/dbraw/zinc/60/94/48/458609448.db2.gz WMLZVIFVDTVOLJ-LBPRGKRZSA-N 2 0 332.398 3.163 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307528 458611743 /nfs/dbraw/zinc/61/17/43/458611743.db2.gz XQVAKVMXZXRALZ-QUCCMNQESA-N 2 0 347.522 3.312 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000470984217 458672731 /nfs/dbraw/zinc/67/27/31/458672731.db2.gz QYPWIDJGXQKWQD-HKUYNNGSSA-N 2 0 343.515 3.294 20 0 EGADRP Clc1ccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530177562 458710066 /nfs/dbraw/zinc/71/00/66/458710066.db2.gz KIABYRPOQYPJQX-SFHVURJKSA-N 2 0 333.907 3.179 20 0 EGADRP COc1cc(OC)c(C2CC[NH+]([C@H](C)CCC[NH3+])CC2)c(OC)c1 ZINC000530209411 458716267 /nfs/dbraw/zinc/71/62/67/458716267.db2.gz HGUAAQOZHVIOEJ-CQSZACIVSA-N 2 0 336.476 3.019 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503865969 458726876 /nfs/dbraw/zinc/72/68/76/458726876.db2.gz YGJWBRBGVANDTI-IHPCNDPISA-N 2 0 345.531 3.180 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505550 458752548 /nfs/dbraw/zinc/75/25/48/458752548.db2.gz VZWJBEYCKBGRFG-DZFGPLHGSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000464764373 458770547 /nfs/dbraw/zinc/77/05/47/458770547.db2.gz GVWPEAQBWOTZCY-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000472347744 458788866 /nfs/dbraw/zinc/78/88/66/458788866.db2.gz PZAPYKLPJRCYLM-ICSRJNTNSA-N 2 0 339.483 3.268 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([N@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432800874 458790022 /nfs/dbraw/zinc/79/00/22/458790022.db2.gz RNTJHQASIDIRFY-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472483098 458798763 /nfs/dbraw/zinc/79/87/63/458798763.db2.gz DMRNXHPPSQNHES-PKOBYXMFSA-N 2 0 343.515 3.294 20 0 EGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441155057 458894192 /nfs/dbraw/zinc/89/41/92/458894192.db2.gz KZPRVXXJNHPXFF-MOPGFXCFSA-N 2 0 330.472 3.310 20 0 EGADRP CC(C)(CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000531386529 458909392 /nfs/dbraw/zinc/90/93/92/458909392.db2.gz MPTQXLVPVUVVMG-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000531384532 458910150 /nfs/dbraw/zinc/91/01/50/458910150.db2.gz DFFFACFLTOMCFU-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716306 458928652 /nfs/dbraw/zinc/92/86/52/458928652.db2.gz KKFYUVGVQYRLPH-APWZRJJASA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)CN(CC(C)C)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441399998 458935166 /nfs/dbraw/zinc/93/51/66/458935166.db2.gz FYCGNRXGYVDTJJ-ICSRJNTNSA-N 2 0 349.563 3.076 20 0 EGADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000475339881 458936826 /nfs/dbraw/zinc/93/68/26/458936826.db2.gz WHYHBVSXGXXVTI-BVOGOJNSSA-N 2 0 329.532 3.217 20 0 EGADRP CCN(C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000566469362 458942492 /nfs/dbraw/zinc/94/24/92/458942492.db2.gz CZPUVWYMLFYXJE-FQEVSTJZSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531691445 458960354 /nfs/dbraw/zinc/96/03/54/458960354.db2.gz BINFHKFBEMIHAY-PJPHBNEVSA-N 2 0 336.442 3.180 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)cc1 ZINC000577165926 458989804 /nfs/dbraw/zinc/98/98/04/458989804.db2.gz GFRTYAPNJXJSHF-WMLDXEAASA-N 2 0 328.431 3.496 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000531938274 459003720 /nfs/dbraw/zinc/00/37/20/459003720.db2.gz YWGPAZCLDZRTDM-JKSUJKDBSA-N 2 0 329.488 3.344 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)C[NH+]1CCCCC1 ZINC000531938272 459003745 /nfs/dbraw/zinc/00/37/45/459003745.db2.gz YWGPAZCLDZRTDM-HOTGVXAUSA-N 2 0 329.488 3.344 20 0 EGADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000566848206 459010336 /nfs/dbraw/zinc/01/03/36/459010336.db2.gz NXZQUDJQOFZEJV-FQEVSTJZSA-N 2 0 341.499 3.441 20 0 EGADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556891668 459028955 /nfs/dbraw/zinc/02/89/55/459028955.db2.gz FEOOABNRAJHRRY-FFZBTMFNSA-N 2 0 330.516 3.426 20 0 EGADRP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759792 459031547 /nfs/dbraw/zinc/03/15/47/459031547.db2.gz FFKRMFNCZPTWRG-YIONKMFJSA-N 2 0 328.378 3.299 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000556963710 459038789 /nfs/dbraw/zinc/03/87/89/459038789.db2.gz YNSKSLYXWXRVFQ-PMACEKPBSA-N 2 0 332.488 3.194 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000567048730 459039420 /nfs/dbraw/zinc/03/94/20/459039420.db2.gz PEYAHZXSLOFYCL-CVEARBPZSA-N 2 0 326.488 3.441 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000567063028 459043092 /nfs/dbraw/zinc/04/30/92/459043092.db2.gz MICZOPZZHOFYHA-INIZCTEOSA-N 2 0 326.488 3.393 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442874130 459049143 /nfs/dbraw/zinc/04/91/43/459049143.db2.gz LVMYEPYEMUERGK-IBGZPJMESA-N 2 0 349.588 3.419 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C2CCC2)cc1 ZINC000442875609 459049585 /nfs/dbraw/zinc/04/95/85/459049585.db2.gz PHIBMGKQAZQILD-FQEVSTJZSA-N 2 0 329.532 3.452 20 0 EGADRP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]C1CCN(C2CC2)CC1 ZINC000577634493 459065950 /nfs/dbraw/zinc/06/59/50/459065950.db2.gz QVLWOAHONJGXRQ-GOSISDBHSA-N 2 0 336.520 3.495 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000496126576 459077837 /nfs/dbraw/zinc/07/78/37/459077837.db2.gz DNIZVHKOUAYECX-WMZOPIPTSA-N 2 0 333.520 3.399 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056813 459078811 /nfs/dbraw/zinc/07/88/11/459078811.db2.gz DEKWPYLKXKQUIY-HZPDHXFCSA-N 2 0 325.456 3.228 20 0 EGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443058453 459079122 /nfs/dbraw/zinc/07/91/22/459079122.db2.gz AFEQYCUGCOKVGL-SJORKVTESA-N 2 0 339.483 3.078 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000443056797 459079818 /nfs/dbraw/zinc/07/98/18/459079818.db2.gz DDIIHNJPDQBCQM-MRXNPFEDSA-N 2 0 325.456 3.229 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065167 459083033 /nfs/dbraw/zinc/08/30/33/459083033.db2.gz ZMHVPGPHFXGGCS-HZPDHXFCSA-N 2 0 331.504 3.199 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)c1 ZINC000532452038 459090739 /nfs/dbraw/zinc/09/07/39/459090739.db2.gz KDOZJPLDQHJJRU-UHFFFAOYSA-N 2 0 330.394 3.074 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCc3ccccc32)c2ccccc2)CC1 ZINC000532498231 459100110 /nfs/dbraw/zinc/10/01/10/459100110.db2.gz MTXZVJOKZJDLHB-FGZHOGPDSA-N 2 0 335.495 3.252 20 0 EGADRP C[NH+](C)C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000558259995 459142224 /nfs/dbraw/zinc/14/22/24/459142224.db2.gz WZZALGYTMHHHGD-HXUWFJFHSA-N 2 0 333.495 3.425 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000496304011 459144275 /nfs/dbraw/zinc/14/42/75/459144275.db2.gz HOYDQICQHANHOA-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000578249872 459170105 /nfs/dbraw/zinc/17/01/05/459170105.db2.gz DNZCLVCIHLVXIV-HIFRSBDPSA-N 2 0 349.316 3.380 20 0 EGADRP CC(C)C[C@@H]1COCC[NH+]1CCCC[N@H+]1CCOC[C@@H]1CC(C)C ZINC000558528508 459170760 /nfs/dbraw/zinc/17/07/60/459170760.db2.gz HEEJTCMJNJNONF-BGYRXZFFSA-N 2 0 340.552 3.260 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000567801908 459170814 /nfs/dbraw/zinc/17/08/14/459170814.db2.gz ADRYNYBWXHZPSB-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP COC[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1)C(C)C ZINC000480229547 459189582 /nfs/dbraw/zinc/18/95/82/459189582.db2.gz PNLIKEIQDFUQJB-OAQYLSRUSA-N 2 0 347.547 3.158 20 0 EGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480702326 459213963 /nfs/dbraw/zinc/21/39/63/459213963.db2.gz VOZXXECGMGBTSY-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000590787014 459218373 /nfs/dbraw/zinc/21/83/73/459218373.db2.gz UEWMMBPRRFXTOQ-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C[N@H+](CC)CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000481736151 459272120 /nfs/dbraw/zinc/27/21/20/459272120.db2.gz MUIZCNCFTLDNEU-SFHVURJKSA-N 2 0 345.531 3.103 20 0 EGADRP COc1cccc([C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)N2CCCC2)c1 ZINC000560124927 459303405 /nfs/dbraw/zinc/30/34/05/459303405.db2.gz AGSWXEPDOCDHQI-NDUPCHFUSA-N 2 0 332.488 3.378 20 0 EGADRP CCc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000582229078 459330050 /nfs/dbraw/zinc/33/00/50/459330050.db2.gz DWESFSRUFBRWGS-UHFFFAOYSA-N 2 0 343.540 3.394 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000582236444 459330785 /nfs/dbraw/zinc/33/07/85/459330785.db2.gz VLPRCISYTDUUSF-OAQYLSRUSA-N 2 0 326.484 3.222 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483201300 459349873 /nfs/dbraw/zinc/34/98/73/459349873.db2.gz QFQQBIVUEVLBFR-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000560594059 459377310 /nfs/dbraw/zinc/37/73/10/459377310.db2.gz FRSQQESWDMQUMM-OXQOHEQNSA-N 2 0 334.479 3.431 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000568991130 459377918 /nfs/dbraw/zinc/37/79/18/459377918.db2.gz KOTMXDMRFBNIOZ-RXVVDRJESA-N 2 0 348.531 3.327 20 0 EGADRP CC(C)(C)OC(=O)NCCC[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000497015505 459405690 /nfs/dbraw/zinc/40/56/90/459405690.db2.gz JLLHMXMJQNWLAL-UHFFFAOYSA-N 2 0 339.524 3.145 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000569182655 459409362 /nfs/dbraw/zinc/40/93/62/459409362.db2.gz BMXYGLWFZJRNEX-HXUWFJFHSA-N 2 0 329.532 3.416 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000561284023 459440108 /nfs/dbraw/zinc/44/01/08/459440108.db2.gz IHLCLCGLYSFETI-SFHVURJKSA-N 2 0 325.456 3.146 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000561396352 459449483 /nfs/dbraw/zinc/44/94/83/459449483.db2.gz HNABQVVNVZXLDI-ZWKOTPCHSA-N 2 0 332.488 3.400 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000561396348 459450210 /nfs/dbraw/zinc/45/02/10/459450210.db2.gz HNABQVVNVZXLDI-MSOLQXFVSA-N 2 0 332.488 3.400 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)CC[NH+](C)C1CCCCC1 ZINC000561455968 459454761 /nfs/dbraw/zinc/45/47/61/459454761.db2.gz AHFAFGMRKWVGKB-UHFFFAOYSA-N 2 0 349.519 3.215 20 0 EGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H](C)n1ccnc1 ZINC000583028972 459470541 /nfs/dbraw/zinc/47/05/41/459470541.db2.gz XVENBDHQGTUZBF-INIZCTEOSA-N 2 0 348.516 3.266 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000569592379 459478227 /nfs/dbraw/zinc/47/82/27/459478227.db2.gz IXRSPLCEEADWCI-ZOBUZTSGSA-N 3 0 330.520 3.152 20 0 EGADRP CC[N@H+](C[C@H](O)CN(C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034325 459504604 /nfs/dbraw/zinc/50/46/04/459504604.db2.gz UZTHJEFPUORBMT-WOJBJXKFSA-N 2 0 336.495 3.170 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000497303448 459521998 /nfs/dbraw/zinc/52/19/98/459521998.db2.gz AYWYOXQYLWMWRX-IXDOHACOSA-N 2 0 339.524 3.144 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000498185987 459572229 /nfs/dbraw/zinc/57/22/29/459572229.db2.gz XCVUFKKDFBGJNE-HXUWFJFHSA-N 2 0 331.504 3.417 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C2CCC2)o1 ZINC000542670761 459580620 /nfs/dbraw/zinc/58/06/20/459580620.db2.gz KHXMCZNQMSQPMJ-UYAOXDASSA-N 2 0 333.520 3.291 20 0 EGADRP CC[C@@H]1C[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000592489082 459612394 /nfs/dbraw/zinc/61/23/94/459612394.db2.gz PMIIUCZZCZUILS-IUODEOHRSA-N 2 0 332.366 3.023 20 0 EGADRP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000592515935 459620288 /nfs/dbraw/zinc/62/02/88/459620288.db2.gz OMHLCXVIABBUIT-QRVBRYPASA-N 2 0 336.520 3.495 20 0 EGADRP CC(C)CCOc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000583962304 459625218 /nfs/dbraw/zinc/62/52/18/459625218.db2.gz MFESJCZEAKJALP-UHFFFAOYSA-N 2 0 347.547 3.181 20 0 EGADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCSC3)cc2)C[C@H]1C ZINC000543414868 459654775 /nfs/dbraw/zinc/65/47/75/459654775.db2.gz CJYXXQSZDWXACX-ZIFCJYIRSA-N 2 0 348.556 3.291 20 0 EGADRP Cc1cc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn2ccnc12 ZINC000573337263 459661753 /nfs/dbraw/zinc/66/17/53/459661753.db2.gz KXAZIMSHEKBMCN-KRWDZBQOSA-N 2 0 334.423 3.103 20 0 EGADRP Cc1ccccc1C[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000500137287 459667073 /nfs/dbraw/zinc/66/70/73/459667073.db2.gz IBRQVZIPIIFYEX-JOCHJYFZSA-N 2 0 343.559 3.418 20 0 EGADRP Clc1cnc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000527637561 459679935 /nfs/dbraw/zinc/67/99/35/459679935.db2.gz MISZOFYMJMILGL-JTQLQIEISA-N 2 0 344.684 3.071 20 0 EGADRP FC(F)(F)c1cccc(OCCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000584232580 459686420 /nfs/dbraw/zinc/68/64/20/459686420.db2.gz ZOXOVSLFHMVROZ-LSDHHAIUSA-N 2 0 342.405 3.406 20 0 EGADRP FC(F)(F)c1cccc(OCCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000584232579 459687033 /nfs/dbraw/zinc/68/70/33/459687033.db2.gz ZOXOVSLFHMVROZ-HUUCEWRRSA-N 2 0 342.405 3.406 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Br)cc1 ZINC000584540109 459765384 /nfs/dbraw/zinc/76/53/84/459765384.db2.gz NVNYOFXVMVZDIM-XBFCOCLRSA-N 2 0 327.266 3.076 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566092279 459804257 /nfs/dbraw/zinc/80/42/57/459804257.db2.gz XXEWLQLZSNEYEZ-XJIUQZFPSA-N 2 0 335.879 3.035 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000566115443 459808616 /nfs/dbraw/zinc/80/86/16/459808616.db2.gz JGJSHDHPHDYIDA-DJIMGWMZSA-N 2 0 344.421 3.190 20 0 EGADRP COC(=O)c1oc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000597048947 459825127 /nfs/dbraw/zinc/82/51/27/459825127.db2.gz YSEKQTIDNLMVNX-HUUCEWRRSA-N 2 0 336.476 3.222 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000588710612 459974225 /nfs/dbraw/zinc/97/42/25/459974225.db2.gz TZJOIEMQKLIORU-OALUTQOASA-N 2 0 346.515 3.277 20 0 EGADRP COC(=O)CC1CCC([NH2+]Cc2ccccc2Cn2ccnc2)CC1 ZINC000599019796 460128065 /nfs/dbraw/zinc/12/80/65/460128065.db2.gz MVLAYWSWEXZRON-UHFFFAOYSA-N 2 0 341.455 3.143 20 0 EGADRP CC(C)(C)[C@@H]1C[NH+](CCCC[N@@H+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000576504463 460155212 /nfs/dbraw/zinc/15/52/12/460155212.db2.gz HCHACSPHGPKDQT-HDICACEKSA-N 2 0 340.552 3.260 20 0 EGADRP FC(F)(F)c1cccc(OCCCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000615456653 460331296 /nfs/dbraw/zinc/33/12/96/460331296.db2.gz OQRNHRUAJHDDPZ-KBPBESRZSA-N 2 0 328.378 3.016 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C[C@@H](C)O1 ZINC000604384692 460415882 /nfs/dbraw/zinc/41/58/82/460415882.db2.gz XULJGLOSRULDFS-QZTJIDSGSA-N 2 0 342.527 3.497 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCc3ncccc32)cc1 ZINC000631577828 460454322 /nfs/dbraw/zinc/45/43/22/460454322.db2.gz LTYLRMXHNILRDO-OAQYLSRUSA-N 2 0 339.483 3.232 20 0 EGADRP C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631600993 460467272 /nfs/dbraw/zinc/46/72/72/460467272.db2.gz VBSMDHZVAZUIFB-QLIIJSOBSA-N 2 0 341.499 3.154 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000634679177 460471494 /nfs/dbraw/zinc/47/14/94/460471494.db2.gz MZDWSTUZWZWBBI-DNVCBOLYSA-N 2 0 339.474 3.135 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000634680551 460473548 /nfs/dbraw/zinc/47/35/48/460473548.db2.gz VWMSJISTRCFLMY-NVXWUHKLSA-N 2 0 349.494 3.186 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000631617398 460474880 /nfs/dbraw/zinc/47/48/80/460474880.db2.gz GUENHNZEJOCJBI-QZTJIDSGSA-N 2 0 342.531 3.105 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000631665029 460499583 /nfs/dbraw/zinc/49/95/83/460499583.db2.gz UOFUUBXVVYDSSU-RXVVDRJESA-N 2 0 341.543 3.219 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000629541834 460801038 /nfs/dbraw/zinc/80/10/38/460801038.db2.gz WWZQGAHBQPWREY-WIYYLYMNSA-N 2 0 345.531 3.486 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000629551607 460804402 /nfs/dbraw/zinc/80/44/02/460804402.db2.gz WGVKCQHEMPGMGC-YSSFQJQWSA-N 2 0 326.484 3.459 20 0 EGADRP C[N@H+](CCOCC[NH3+])Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000629581204 460812624 /nfs/dbraw/zinc/81/26/24/460812624.db2.gz RMFNDDVTELIEKW-UHFFFAOYSA-N 2 0 344.299 3.131 20 0 EGADRP CC(C)c1ccc(-c2ncc(C[N@H+](C)CCOCC[NH3+])s2)cc1 ZINC000629578871 460812920 /nfs/dbraw/zinc/81/29/20/460812920.db2.gz XGANBXYAHJRZRA-UHFFFAOYSA-N 2 0 333.501 3.341 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000635563557 460832692 /nfs/dbraw/zinc/83/26/92/460832692.db2.gz YTQWFGJOSLDJAV-ROUUACIJSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120849 460870272 /nfs/dbraw/zinc/87/02/72/460870272.db2.gz IJPVOYWXEMRMOP-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122153 460871554 /nfs/dbraw/zinc/87/15/54/460871554.db2.gz KWWNGLFBTYYWEE-QZTJIDSGSA-N 2 0 334.504 3.346 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000608061650 460974214 /nfs/dbraw/zinc/97/42/14/460974214.db2.gz WWZCQBSAIUHYDB-WMLDXEAASA-N 2 0 338.455 3.406 20 0 EGADRP Cc1ccc([C@@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000628236415 461057575 /nfs/dbraw/zinc/05/75/75/461057575.db2.gz AFYUNJIUIYGPRO-AVRDEDQJSA-N 2 0 338.495 3.455 20 0 EGADRP CCCCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348556 461141650 /nfs/dbraw/zinc/14/16/50/461141650.db2.gz IDUUODAFNMMTTN-UXLLHSPISA-N 2 0 337.533 3.204 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000652348246 461142248 /nfs/dbraw/zinc/14/22/48/461142248.db2.gz YQVIOHJYPCFXLP-HLIPFELVSA-N 2 0 341.455 3.060 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@H]1CC[NH3+] ZINC000652354572 461150167 /nfs/dbraw/zinc/15/01/67/461150167.db2.gz CAMWJZXREXRIAX-PXNSSMCTSA-N 2 0 343.515 3.262 20 0 EGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@H]1CC[NH3+] ZINC000652353920 461150950 /nfs/dbraw/zinc/15/09/50/461150950.db2.gz HBMWXUGLIVRGCM-LRDDRELGSA-N 2 0 341.858 3.257 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000662279954 461162929 /nfs/dbraw/zinc/16/29/29/461162929.db2.gz BLHSUTHXRTVGDY-UIFIKXQLSA-N 2 0 328.500 3.325 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000662290237 461167016 /nfs/dbraw/zinc/16/70/16/461167016.db2.gz BLJMXJUTCGOSNR-RDJZCZTQSA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1C ZINC000662291267 461167751 /nfs/dbraw/zinc/16/77/51/461167751.db2.gz RAJAFNCNTSFUEW-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290877 461167869 /nfs/dbraw/zinc/16/78/69/461167869.db2.gz MLHUVZIJKGNQRH-FUHWJXTLSA-N 2 0 329.488 3.034 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290135 461167928 /nfs/dbraw/zinc/16/79/28/461167928.db2.gz KZHQKGZTPPCJAU-GOEBONIOSA-N 2 0 349.906 3.379 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292031 461170218 /nfs/dbraw/zinc/17/02/18/461170218.db2.gz KYVRGRIRNAGSKQ-QGZVFWFLSA-N 2 0 347.478 3.174 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295545 461173726 /nfs/dbraw/zinc/17/37/26/461173726.db2.gz GPBTVZBYKVUVCB-RDJZCZTQSA-N 2 0 347.478 3.173 20 0 EGADRP CC[C@H](OCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000649569792 461184187 /nfs/dbraw/zinc/18/41/87/461184187.db2.gz ANFCUSLMRVWWAJ-NRFANRHFSA-N 2 0 347.547 3.112 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662314033 461186738 /nfs/dbraw/zinc/18/67/38/461186738.db2.gz LQOITSDQCIUOLN-FCGDIQPGSA-N 2 0 335.536 3.007 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646382913 461225163 /nfs/dbraw/zinc/22/51/63/461225163.db2.gz VXWXBVQCMFEJCC-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659287037 461276627 /nfs/dbraw/zinc/27/66/27/461276627.db2.gz JZVGXRWNQFRLJZ-IBGZPJMESA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662526733 461281958 /nfs/dbraw/zinc/28/19/58/461281958.db2.gz KDTPRJPYBXWYQK-YNVMFWSZSA-N 2 0 341.499 3.085 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000633954387 461352391 /nfs/dbraw/zinc/35/23/91/461352391.db2.gz PCHZYYDITYVZQU-UHFFFAOYSA-N 2 0 349.544 3.290 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]CCCc3cnn(C)c3)cc2)CC1 ZINC000638328406 461370480 /nfs/dbraw/zinc/37/04/80/461370480.db2.gz INQAMMBHGIJIFG-UHFFFAOYSA-N 2 0 340.515 3.374 20 0 EGADRP CCC(CC)(CNC(=O)C1([NH+](C)C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000668716714 461393511 /nfs/dbraw/zinc/39/35/11/461393511.db2.gz FFVCFKCTBZUWTR-MRXNPFEDSA-N 2 0 331.504 3.106 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666087301 461448646 /nfs/dbraw/zinc/44/86/46/461448646.db2.gz BLAROHIMEOZSET-QGZVFWFLSA-N 2 0 336.907 3.288 20 0 EGADRP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000666090691 461451780 /nfs/dbraw/zinc/45/17/80/461451780.db2.gz FAYLZSLWCCGGMW-QAPCUYQASA-N 2 0 348.918 3.288 20 0 EGADRP COCCc1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)s1 ZINC000631042039 461494533 /nfs/dbraw/zinc/49/45/33/461494533.db2.gz OHOPQHQOUVXILC-UHFFFAOYSA-N 2 0 347.528 3.462 20 0 EGADRP Cc1ccc(-c2ccc(C[NH2+]CC(C)(C)N3CC[NH+](C)CC3)o2)cc1 ZINC000642340172 461500309 /nfs/dbraw/zinc/50/03/09/461500309.db2.gz FZALLWHOSZTAIO-UHFFFAOYSA-N 2 0 341.499 3.371 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000638609210 461504818 /nfs/dbraw/zinc/50/48/18/461504818.db2.gz IZZCFDCRDCNJAY-LEWJYISDSA-N 2 0 346.515 3.204 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653108575 461504932 /nfs/dbraw/zinc/50/49/32/461504932.db2.gz AEAYUAKWXHEMCN-ZWKOTPCHSA-N 2 0 343.515 3.067 20 0 EGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653113878 461506722 /nfs/dbraw/zinc/50/67/22/461506722.db2.gz QQFVBROJBRUNOO-FQEVSTJZSA-N 2 0 343.515 3.069 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112097 461507178 /nfs/dbraw/zinc/50/71/78/461507178.db2.gz LNZANFGUECRETF-UXHICEINSA-N 2 0 341.499 3.184 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C(C)(C)CC)CC2)c1 ZINC000655908324 461530237 /nfs/dbraw/zinc/53/02/37/461530237.db2.gz URGKBJZHOULFCQ-UHFFFAOYSA-N 2 0 332.492 3.134 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000631109603 461559083 /nfs/dbraw/zinc/55/90/83/461559083.db2.gz GDIWRRSODIVDKA-HXUWFJFHSA-N 2 0 342.458 3.381 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CC2(C[NH+](C)C)CCCC2)o1 ZINC000647202070 461562032 /nfs/dbraw/zinc/56/20/32/461562032.db2.gz LBHRWYFMDQNCOW-UHFFFAOYSA-N 2 0 330.476 3.200 20 0 EGADRP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)Oc1ccccc1 ZINC000638750975 461562212 /nfs/dbraw/zinc/56/22/12/461562212.db2.gz PCPHCUNOFTYJGE-VQTJNVASSA-N 2 0 346.515 3.202 20 0 EGADRP FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663343734 461571217 /nfs/dbraw/zinc/57/12/17/461571217.db2.gz CTTVALLGWROLNT-MRXNPFEDSA-N 2 0 347.469 3.115 20 0 EGADRP CC(C)([NH3+])CCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253391 461593023 /nfs/dbraw/zinc/59/30/23/461593023.db2.gz SEISTBPHSQCENM-UHFFFAOYSA-N 2 0 335.517 3.331 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3ccccc3Cl)CC2)CC1 ZINC000638810048 461593344 /nfs/dbraw/zinc/59/33/44/461593344.db2.gz GPQYAWNOSMCJRS-UHFFFAOYSA-N 2 0 336.907 3.197 20 0 EGADRP Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000643031894 461594048 /nfs/dbraw/zinc/59/40/48/461594048.db2.gz ZDJYJLZEYNHGMU-BLLLJJGKSA-N 2 0 333.382 3.333 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2cc1OCC ZINC000643034042 461594572 /nfs/dbraw/zinc/59/45/72/461594572.db2.gz TUWQYIKQCSPMFW-RHSMWYFYSA-N 2 0 341.455 3.220 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)cc1 ZINC000643058188 461598706 /nfs/dbraw/zinc/59/87/06/461598706.db2.gz LKTKDSAWINFTGE-PBHICJAKSA-N 2 0 328.431 3.496 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1 ZINC000643058190 461599337 /nfs/dbraw/zinc/59/93/37/461599337.db2.gz LKTKDSAWINFTGE-WMLDXEAASA-N 2 0 328.431 3.496 20 0 EGADRP C[C@@H]1CN(Cc2cccc(CNc3[nH+]ccc4[nH]ccc43)c2)CCO1 ZINC000663427244 461635575 /nfs/dbraw/zinc/63/55/75/461635575.db2.gz ULCBVAZZCGYRTF-OAHLLOKOSA-N 2 0 336.439 3.396 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1-n1ccnn1 ZINC000663465540 461655254 /nfs/dbraw/zinc/65/52/54/461655254.db2.gz KJMOOWLHUIVQGI-FUHWJXTLSA-N 2 0 339.487 3.040 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000663470654 461659046 /nfs/dbraw/zinc/65/90/46/461659046.db2.gz VZYIDHJHEKQCAI-RDJZCZTQSA-N 2 0 341.499 3.344 20 0 EGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469956 461659580 /nfs/dbraw/zinc/65/95/80/461659580.db2.gz RZQXGPYGQXHUQF-CTNGQTDRSA-N 2 0 348.506 3.485 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)[C@@H]1OC ZINC000639047622 461688725 /nfs/dbraw/zinc/68/87/25/461688725.db2.gz MAPBKMPIYVKAJS-PPQDBTBKSA-N 2 0 344.499 3.137 20 0 EGADRP CO[C@](C)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000643338986 461693875 /nfs/dbraw/zinc/69/38/75/461693875.db2.gz YDIOUYZNVAEEDK-HXUWFJFHSA-N 2 0 332.488 3.066 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CC[NH2+]C34CCCC4)ccc21 ZINC000647477357 461723178 /nfs/dbraw/zinc/72/31/78/461723178.db2.gz XROLVZDPBDRLLY-QZTJIDSGSA-N 2 0 342.487 3.032 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647498616 461735585 /nfs/dbraw/zinc/73/55/85/461735585.db2.gz LEHZFYNAVSHAEX-PBHICJAKSA-N 2 0 338.455 3.393 20 0 EGADRP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000639118751 461738957 /nfs/dbraw/zinc/73/89/57/461738957.db2.gz QNUZPCDYKKQGRO-PXNSSMCTSA-N 2 0 339.483 3.133 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469321 461739275 /nfs/dbraw/zinc/73/92/75/461739275.db2.gz KBPDVNLLLFDUSC-CJNGLKHVSA-N 2 0 325.294 3.359 20 0 EGADRP Cc1nccn1CCCCNc1nc(C)nc(C)c1Br ZINC000663658401 461739211 /nfs/dbraw/zinc/73/92/11/461739211.db2.gz RKXDFJAVWFHINN-UHFFFAOYSA-N 2 0 338.253 3.253 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000647509994 461741123 /nfs/dbraw/zinc/74/11/23/461741123.db2.gz VXVHGANXOPQYSG-UHFFFAOYSA-N 2 0 346.906 3.406 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000643480243 461743573 /nfs/dbraw/zinc/74/35/73/461743573.db2.gz KMXHTYNCVIKFHP-BURNTYAHSA-N 3 0 327.516 3.019 20 0 EGADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643493770 461745240 /nfs/dbraw/zinc/74/52/40/461745240.db2.gz MELVSNGMLZXBKP-VRXWPRPYSA-N 2 0 346.515 3.011 20 0 EGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522373 461752648 /nfs/dbraw/zinc/75/26/48/461752648.db2.gz MFUVFMPKDVURON-DOMZBBRYSA-N 2 0 339.277 3.395 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Br ZINC000643534093 461755239 /nfs/dbraw/zinc/75/52/39/461755239.db2.gz LLQLJSAFJSLYNE-YGRLFVJLSA-N 2 0 327.241 3.381 20 0 EGADRP Clc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000647542709 461755350 /nfs/dbraw/zinc/75/53/50/461755350.db2.gz AMQSPWQDBZZSNA-CABCVRRESA-N 2 0 332.879 3.199 20 0 EGADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542825 461757164 /nfs/dbraw/zinc/75/71/64/461757164.db2.gz CMOQXRADQWKDHI-KBPBESRZSA-N 2 0 327.394 3.312 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543815 461760324 /nfs/dbraw/zinc/76/03/24/461760324.db2.gz SJUGMXZJWAVHKP-ROUUACIJSA-N 2 0 332.488 3.306 20 0 EGADRP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2)c1 ZINC000647550727 461762509 /nfs/dbraw/zinc/76/25/09/461762509.db2.gz DZVLFANGCFRQSO-XYJFISCASA-N 2 0 341.430 3.491 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OCc1ccccc1 ZINC000647552153 461763922 /nfs/dbraw/zinc/76/39/22/461763922.db2.gz IPMKKLIXWFLGDT-HZPDHXFCSA-N 2 0 328.456 3.490 20 0 EGADRP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647786711 461834784 /nfs/dbraw/zinc/83/47/84/461834784.db2.gz XCTBRLBUWLQZDE-RDPOXOKHSA-N 2 0 327.516 3.190 20 0 EGADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)nc1 ZINC000647789856 461835409 /nfs/dbraw/zinc/83/54/09/461835409.db2.gz MTTCAWRAAKYWKJ-GBESFXJTSA-N 2 0 337.467 3.138 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856310 461837099 /nfs/dbraw/zinc/83/70/99/461837099.db2.gz AGVPRTDBENSXEL-KRWDZBQOSA-N 2 0 346.906 3.433 20 0 EGADRP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647790239 461837308 /nfs/dbraw/zinc/83/73/08/461837308.db2.gz VBRAHVPOSFVGQC-QLFBSQMISA-N 2 0 328.378 3.105 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000647794213 461838181 /nfs/dbraw/zinc/83/81/81/461838181.db2.gz UNCDDEBXWGUHRP-ZQOQTTQJSA-N 3 0 341.543 3.265 20 0 EGADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647796747 461839547 /nfs/dbraw/zinc/83/95/47/461839547.db2.gz LZIDOPWNCGFVJZ-ARFHVFGLSA-N 2 0 342.405 3.148 20 0 EGADRP CCc1nc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2n1C1CC1 ZINC000647796960 461840406 /nfs/dbraw/zinc/84/04/06/461840406.db2.gz SFFWGXLERZHSRU-GVDBMIGSSA-N 2 0 338.499 3.411 20 0 EGADRP C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC000647885642 461870026 /nfs/dbraw/zinc/87/00/26/461870026.db2.gz ADXPGJZNAJYFAU-IBGZPJMESA-N 2 0 340.467 3.186 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000650707595 461901029 /nfs/dbraw/zinc/90/10/29/461901029.db2.gz JCVVBBNARAAOOD-UXLLHSPISA-N 2 0 335.517 3.129 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)C1 ZINC000650707695 461902014 /nfs/dbraw/zinc/90/20/14/461902014.db2.gz KYLYLLAGWSORIN-SFHLNBCPSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995642 461903443 /nfs/dbraw/zinc/90/34/43/461903443.db2.gz UUIMQJNQFGMQGY-CZUORRHYSA-N 2 0 335.879 3.321 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660655095 461905542 /nfs/dbraw/zinc/90/55/42/461905542.db2.gz KKRKJHYYSJJZQK-PXNSSMCTSA-N 2 0 329.488 3.048 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000650718297 461910068 /nfs/dbraw/zinc/91/00/68/461910068.db2.gz GHEFOPZFIWAMAV-UHFFFAOYSA-N 2 0 328.309 3.473 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000650723742 461916557 /nfs/dbraw/zinc/91/65/57/461916557.db2.gz SNSMWAKYZCOYSG-RBLOLEQCSA-N 2 0 336.426 3.339 20 0 EGADRP CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975267 461917096 /nfs/dbraw/zinc/91/70/96/461917096.db2.gz SZQVYNPEKOEXHF-JKSUJKDBSA-N 2 0 347.528 3.059 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975084 461917697 /nfs/dbraw/zinc/91/76/97/461917697.db2.gz KENVEPBFIDZIHL-HZPDHXFCSA-N 2 0 349.906 3.299 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000647976511 461918182 /nfs/dbraw/zinc/91/81/82/461918182.db2.gz POXDCDIQEQYEES-JKSUJKDBSA-N 2 0 349.906 3.380 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977334 461919288 /nfs/dbraw/zinc/91/92/88/461919288.db2.gz AAGYQOHCLXNMRH-GBESFXJTSA-N 2 0 343.515 3.342 20 0 EGADRP c1csc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976749 461919544 /nfs/dbraw/zinc/91/95/44/461919544.db2.gz SZVPSVATACJKMM-KGLIPLIRSA-N 2 0 332.473 3.010 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000650752703 461935638 /nfs/dbraw/zinc/93/56/38/461935638.db2.gz YCZGQMIWRREEKR-LBPRGKRZSA-N 2 0 327.403 3.020 20 0 EGADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1)C[NH+](C)C ZINC000644411890 461949906 /nfs/dbraw/zinc/94/99/06/461949906.db2.gz IBRIARZHXIJRLQ-AWEZNQCLSA-N 2 0 326.444 3.121 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC[C@@H]2CCc3ccccc32)CC1 ZINC000660752619 461953280 /nfs/dbraw/zinc/95/32/80/461953280.db2.gz BUNUKQHBBHIHDD-IBGZPJMESA-N 2 0 329.532 3.112 20 0 EGADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)CC(F)(F)F ZINC000644532505 461973084 /nfs/dbraw/zinc/97/30/84/461973084.db2.gz YJHWTPOBSKZSOI-QGZVFWFLSA-N 2 0 344.421 3.466 20 0 EGADRP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCC2 ZINC000639543519 461980318 /nfs/dbraw/zinc/98/03/18/461980318.db2.gz IYFNXEWDGKGWDV-DYESRHJHSA-N 2 0 326.484 3.208 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182715 461983443 /nfs/dbraw/zinc/98/34/43/461983443.db2.gz LVPCKZVBABFSJX-UXHICEINSA-N 2 0 329.532 3.361 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000657300113 462027861 /nfs/dbraw/zinc/02/78/61/462027861.db2.gz IOTSBNNTVMBYPO-QGZVFWFLSA-N 2 0 342.483 3.452 20 0 EGADRP Cc1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)cnc1N1CCCC[C@H]1C ZINC000667345697 462050143 /nfs/dbraw/zinc/05/01/43/462050143.db2.gz MEAUPHCXRMUQBP-HZPDHXFCSA-N 2 0 345.491 3.032 20 0 EGADRP Cc1cc(NC(=O)N[C@H]2CCC[NH2+]CC2)cnc1N1CCCC[C@H]1C ZINC000667345701 462050192 /nfs/dbraw/zinc/05/01/92/462050192.db2.gz OJAQRRSEPRFMRR-CVEARBPZSA-N 2 0 345.491 3.032 20 0 EGADRP FC(F)(F)c1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000639683715 462056322 /nfs/dbraw/zinc/05/63/22/462056322.db2.gz MWVDLQXPRCNDQC-UHFFFAOYSA-N 2 0 336.361 3.208 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000657348301 462063090 /nfs/dbraw/zinc/06/30/90/462063090.db2.gz QXWAATFMLHKYRJ-MJGOQNOKSA-N 2 0 334.504 3.310 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)CCO1 ZINC000648425878 462115115 /nfs/dbraw/zinc/11/51/15/462115115.db2.gz URHKEBLXFVATAX-RTBURBONSA-N 2 0 334.504 3.454 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc21 ZINC000657433436 462119970 /nfs/dbraw/zinc/11/99/70/462119970.db2.gz XCBJYCMXFCUIOW-HXUWFJFHSA-N 2 0 349.478 3.333 20 0 EGADRP Fc1ccc(OC(F)F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000657449813 462131694 /nfs/dbraw/zinc/13/16/94/462131694.db2.gz FMGBQGAIZFUHJY-UHFFFAOYSA-N 2 0 328.378 3.391 20 0 EGADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000667666640 462201352 /nfs/dbraw/zinc/20/13/52/462201352.db2.gz SXLBVUSAFMNEJP-DOADOZAASA-N 2 0 348.535 3.033 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000657613240 462203626 /nfs/dbraw/zinc/20/36/26/462203626.db2.gz JMFLAKULCWKIRI-PMACEKPBSA-N 2 0 331.504 3.087 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000657613739 462204105 /nfs/dbraw/zinc/20/41/05/462204105.db2.gz QHWZSPUBPXZMHW-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727968 462233615 /nfs/dbraw/zinc/23/36/15/462233615.db2.gz LOVYPDYJPYATSB-SJLPKXTDSA-N 2 0 344.503 3.264 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727969 462233653 /nfs/dbraw/zinc/23/36/53/462233653.db2.gz LOVYPDYJPYATSB-WMZOPIPTSA-N 2 0 344.503 3.264 20 0 EGADRP CC(C)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(C)CC1 ZINC000667732371 462236383 /nfs/dbraw/zinc/23/63/83/462236383.db2.gz IZAHAYGVSTVJJR-GOSISDBHSA-N 2 0 332.492 3.023 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1 ZINC000648728421 462248855 /nfs/dbraw/zinc/24/88/55/462248855.db2.gz ZBRIWMQWAXPPDJ-SFHVURJKSA-N 2 0 332.488 3.066 20 0 EGADRP OC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000657772790 462259258 /nfs/dbraw/zinc/25/92/58/462259258.db2.gz IIOYQFTYFXLUEG-XUJVJEKNSA-N 2 0 329.271 3.243 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCC1 ZINC000657826956 462286399 /nfs/dbraw/zinc/28/63/99/462286399.db2.gz JVINNZLJLDWGAP-FGTMMUONSA-N 2 0 346.515 3.343 20 0 EGADRP COc1cc(OC)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000651678346 462300009 /nfs/dbraw/zinc/30/00/09/462300009.db2.gz MEOLAPYYWXFLIG-OAHLLOKOSA-N 2 0 338.467 3.445 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(OC)CCC3)CC2)cc1 ZINC000657859561 462300226 /nfs/dbraw/zinc/30/02/26/462300226.db2.gz WBKWFNDCBYVWRB-KRWDZBQOSA-N 2 0 346.515 3.454 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000645388396 462309334 /nfs/dbraw/zinc/30/93/34/462309334.db2.gz KZMQFXZUPWPVPS-IBGZPJMESA-N 2 0 349.950 3.277 20 0 EGADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000651706262 462310085 /nfs/dbraw/zinc/31/00/85/462310085.db2.gz ZCYIVKWQXAQPRP-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2ccncc2s1 ZINC000657926220 462319286 /nfs/dbraw/zinc/31/92/86/462319286.db2.gz RKPUVHKQAKHLIR-RRQGHBQHSA-N 2 0 345.512 3.325 20 0 EGADRP COC1([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000657938754 462323309 /nfs/dbraw/zinc/32/33/09/462323309.db2.gz QOGQEEADSHYXCU-SFHVURJKSA-N 2 0 346.515 3.251 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240525 462365074 /nfs/dbraw/zinc/36/50/74/462365074.db2.gz MXHBITGVBOKXPR-WIYYLYMNSA-N 3 0 344.547 3.194 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000665292941 462388927 /nfs/dbraw/zinc/38/89/27/462388927.db2.gz MSELLPOEDWVDGM-GOSISDBHSA-N 2 0 346.862 3.315 20 0 EGADRP COCCc1ccc(OC[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000668072738 462402500 /nfs/dbraw/zinc/40/25/00/462402500.db2.gz LKBGOVHHTJCGCS-QGZVFWFLSA-N 2 0 346.515 3.107 20 0 EGADRP C[N@H+]1C[C@H]2CN(Cc3cc4cc(Br)ccc4o3)C[C@H]2C1 ZINC000668077035 462406360 /nfs/dbraw/zinc/40/63/60/462406360.db2.gz CCZQJYCKVQRLEO-BETUJISGSA-N 2 0 335.245 3.189 20 0 EGADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000658164953 462414965 /nfs/dbraw/zinc/41/49/65/462414965.db2.gz GUOOBQVVXXWBDW-HXUWFJFHSA-N 2 0 331.504 3.088 20 0 EGADRP CC(C)([NH3+])CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649328840 462479284 /nfs/dbraw/zinc/47/92/84/462479284.db2.gz LKZJSQHRCYKQRC-NRFANRHFSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)C1CC[NH+](C)CC1 ZINC000658346510 462484757 /nfs/dbraw/zinc/48/47/57/462484757.db2.gz CEKUDCIMOVJMOO-DYESRHJHSA-N 2 0 346.515 3.202 20 0 EGADRP c1ccc(C(c2ccccc2)[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000649411060 462502569 /nfs/dbraw/zinc/50/25/69/462502569.db2.gz KKSXVAXMBIIMCS-LJQANCHMSA-N 2 0 335.495 3.003 20 0 EGADRP Cc1cc(C)n(CC[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000649416795 462503237 /nfs/dbraw/zinc/50/32/37/462503237.db2.gz LYTWPGCMDQMACG-RTWAWAEBSA-N 2 0 340.515 3.172 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000178038095 533929039 /nfs/dbraw/zinc/92/90/39/533929039.db2.gz RYHDTMOGFYGJSN-OALUTQOASA-N 2 0 345.531 3.134 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc2o1 ZINC000178637148 533939656 /nfs/dbraw/zinc/93/96/56/533939656.db2.gz UEUOXEAMAQNYQZ-RDJZCZTQSA-N 2 0 342.439 3.136 20 0 EGADRP c1ccc(CC[NH+]2CCC(NCC[NH+]3CCCCCC3)CC2)cc1 ZINC000132020983 534487605 /nfs/dbraw/zinc/48/76/05/534487605.db2.gz XGUNLRBMEBOMND-UHFFFAOYSA-N 2 0 329.532 3.159 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)c1ccccc1 ZINC000370624100 525640668 /nfs/dbraw/zinc/64/06/68/525640668.db2.gz GYAKSDGCYOCLGU-IEBWSBKVSA-N 2 0 329.532 3.111 20 0 EGADRP CC[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)[C@H](C)C1 ZINC000132091282 527811310 /nfs/dbraw/zinc/81/13/10/527811310.db2.gz USNPXXGFSSFRAD-DYESRHJHSA-N 2 0 345.531 3.033 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000165928889 528038370 /nfs/dbraw/zinc/03/83/70/528038370.db2.gz LBKJHDJDBFCGQA-GDBMZVCRSA-N 2 0 326.481 3.309 20 0 EGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000191459322 528452203 /nfs/dbraw/zinc/45/22/03/528452203.db2.gz UHVCTJGLDTZPER-IBGZPJMESA-N 2 0 347.547 3.494 20 0 EGADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000177877482 528550614 /nfs/dbraw/zinc/55/06/14/528550614.db2.gz APGULFRXZKTHLX-FRQCXROJSA-N 2 0 331.504 3.035 20 0 EGADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000175164323 528803304 /nfs/dbraw/zinc/80/33/04/528803304.db2.gz YVGKJBDKKFCURX-GOSISDBHSA-N 2 0 345.531 3.086 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000177980257 528835418 /nfs/dbraw/zinc/83/54/18/528835418.db2.gz ZLBGCPPGFCPUCQ-LJQANCHMSA-N 2 0 326.488 3.428 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000192927153 535611219 /nfs/dbraw/zinc/61/12/19/535611219.db2.gz PDAKRSHWHLSLEN-UHFFFAOYSA-N 2 0 332.488 3.304 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000236820831 535652882 /nfs/dbraw/zinc/65/28/82/535652882.db2.gz HOIHJNZCTWWRGU-QZNYNHHHSA-N 2 0 343.515 3.106 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCF)CC1 ZINC000351760617 535747171 /nfs/dbraw/zinc/74/71/71/535747171.db2.gz VGCXGRYNRGFKRG-HNNXBMFYSA-N 2 0 325.447 3.368 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000090936632 546661751 /nfs/dbraw/zinc/66/17/51/546661751.db2.gz UXEZLBKBMJFINF-CVEARBPZSA-N 2 0 334.504 3.202 20 0 EGADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C1CC[NH+](C)CC1 ZINC000152073622 546865102 /nfs/dbraw/zinc/86/51/02/546865102.db2.gz LDKWOOYPKPNKEJ-INIZCTEOSA-N 2 0 334.479 3.194 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000153188218 546877863 /nfs/dbraw/zinc/87/78/63/546877863.db2.gz GDLFKTVBQMAPKQ-OAHLLOKOSA-N 2 0 334.504 3.301 20 0 EGADRP C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000164365769 546978846 /nfs/dbraw/zinc/97/88/46/546978846.db2.gz SHEIIVKSKFICGN-GOSISDBHSA-N 2 0 340.515 3.336 20 0 EGADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000180460945 547056790 /nfs/dbraw/zinc/05/67/90/547056790.db2.gz KUKMUIPAOBPUTQ-KBPBESRZSA-N 2 0 345.466 3.021 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000248445669 547299148 /nfs/dbraw/zinc/29/91/48/547299148.db2.gz CESUCOOTVHRDNV-VAMGGRTRSA-N 2 0 328.500 3.039 20 0 EGADRP Cc1cccc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000280130238 547370777 /nfs/dbraw/zinc/37/07/77/547370777.db2.gz OWXQGAIIDZTYHB-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP COC[C@@H]1CCCC[N@H+](CC[C@@H](C)[NH+]2CCCC[C@H](COC)C2)C1 ZINC000342572997 547596275 /nfs/dbraw/zinc/59/62/75/547596275.db2.gz UBBBDRDTJUMPEO-AQNXPRMDSA-N 2 0 340.552 3.262 20 0 EGADRP C[C@H]1[NH+](CCCCC[N@@H+]2CCOC(C)(C)[C@H]2C)CCOC1(C)C ZINC000357649089 547739075 /nfs/dbraw/zinc/73/90/75/547739075.db2.gz ISUPCVNKBYYTTF-IAGOWNOFSA-N 2 0 326.525 3.155 20 0 EGADRP C[C@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)C1CC[NH+](C)CC1 ZINC000387452732 547824042 /nfs/dbraw/zinc/82/40/42/547824042.db2.gz QTYHGBHPUOUZJI-SFHVURJKSA-N 3 0 329.532 3.361 20 0 EGADRP CCCn1nccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397538195 547835715 /nfs/dbraw/zinc/83/57/15/547835715.db2.gz KGGPWJODNNALMS-UHFFFAOYSA-N 2 0 326.488 3.295 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCC(F)(F)[C@H]3O)CC2)C1 ZINC000414310181 547856035 /nfs/dbraw/zinc/85/60/35/547856035.db2.gz ZJBUJVWQNQSWAA-SVGFKBNWSA-N 2 0 330.463 3.168 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCC(C(F)(F)F)CC1 ZINC000442891836 547917189 /nfs/dbraw/zinc/91/71/89/547917189.db2.gz SXTGQUMBULDSQG-QQFBHYJXSA-N 2 0 349.485 3.359 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3scnc3C3CC3)CC2)C[C@H](C)O1 ZINC000494987148 547995761 /nfs/dbraw/zinc/99/57/61/547995761.db2.gz SIZMJPNQFLVCJV-GJZGRUSLSA-N 2 0 349.544 3.342 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000673600336 548580403 /nfs/dbraw/zinc/58/04/03/548580403.db2.gz DCXOEKPNNDSPFY-CHWSQXEVSA-N 2 0 343.284 3.451 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742582 548971364 /nfs/dbraw/zinc/97/13/64/548971364.db2.gz SNVKAYCNTPGYIG-AWEZNQCLSA-N 2 0 338.565 3.252 20 0 EGADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000675742817 548971563 /nfs/dbraw/zinc/97/15/63/548971563.db2.gz WSUXHJZFSIHONT-QGZVFWFLSA-N 2 0 325.447 3.032 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000675789729 548981918 /nfs/dbraw/zinc/98/19/18/548981918.db2.gz JWYWLJHVLGIIRQ-LPHOPBHVSA-N 2 0 329.488 3.395 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(CO)o2)C[N@@H+]1Cc1ccccc1 ZINC000677129215 549214265 /nfs/dbraw/zinc/21/42/65/549214265.db2.gz OEXNWTRUTCDFDN-FUHWJXTLSA-N 2 0 328.456 3.162 20 0 EGADRP FC(F)(F)Oc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677236860 549235003 /nfs/dbraw/zinc/23/50/03/549235003.db2.gz KHRHDFADQJRUPJ-GJZGRUSLSA-N 2 0 328.378 3.344 20 0 EGADRP CC1(C)C[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000677748085 549325424 /nfs/dbraw/zinc/32/54/24/549325424.db2.gz DTWYQXJEBZYXSZ-AABGKKOBSA-N 2 0 327.516 3.256 20 0 EGADRP CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000678276380 549456099 /nfs/dbraw/zinc/45/60/99/549456099.db2.gz HHDBCQWQOVITLX-MOPGFXCFSA-N 2 0 334.504 3.262 20 0 EGADRP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678340500 549473124 /nfs/dbraw/zinc/47/31/24/549473124.db2.gz YYZSGGLQBVTERZ-FQEVSTJZSA-N 2 0 342.487 3.006 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000678583781 549524325 /nfs/dbraw/zinc/52/43/25/549524325.db2.gz CQABCUVBOOBTRQ-BBRMVZONSA-N 2 0 325.294 3.454 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000678774888 549558577 /nfs/dbraw/zinc/55/85/77/549558577.db2.gz TUTZCDUGRQVPEG-MRXNPFEDSA-N 2 0 334.504 3.346 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000679720945 549768487 /nfs/dbraw/zinc/76/84/87/549768487.db2.gz ZFMPDCXOCATOJE-UHFFFAOYSA-N 2 0 347.890 3.213 20 0 EGADRP C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680000994 549803513 /nfs/dbraw/zinc/80/35/13/549803513.db2.gz SLSVPGPZDBKTAY-KRWDZBQOSA-N 2 0 340.467 3.410 20 0 EGADRP COc1cccc2c1CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000680001012 549804208 /nfs/dbraw/zinc/80/42/08/549804208.db2.gz HMLFUFMXEXQTMC-UHFFFAOYSA-N 2 0 340.467 3.194 20 0 EGADRP COc1ccc(COCC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000680401249 549862706 /nfs/dbraw/zinc/86/27/06/549862706.db2.gz LSIZWMJTUVNMIF-IEBWSBKVSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC000682733919 550137860 /nfs/dbraw/zinc/13/78/60/550137860.db2.gz INKFWZJXYOADIV-CQSZACIVSA-N 2 0 338.446 3.459 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000683229447 550205816 /nfs/dbraw/zinc/20/58/16/550205816.db2.gz GCASSKGKKDOZJK-NDXORKPFSA-N 2 0 348.506 3.219 20 0 EGADRP C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000684559337 550343054 /nfs/dbraw/zinc/34/30/54/550343054.db2.gz UXOJWMWTLIOZCK-AWEZNQCLSA-N 2 0 344.421 3.490 20 0 EGADRP C[N@H+](CCc1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1)C1CCCCC1 ZINC000685325674 550410920 /nfs/dbraw/zinc/41/09/20/550410920.db2.gz LINWFKJLOOQAQQ-ZXFUBFMLSA-N 2 0 332.492 3.217 20 0 EGADRP CC[NH+]1CCC([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000695192106 1298157916 /nfs/dbraw/zinc/15/79/16/1298157916.db2.gz KBACQXZAJAWONE-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000067668417 1292166395 /nfs/dbraw/zinc/16/63/95/1292166395.db2.gz QTUHKEKLAJPRPY-UHFFFAOYSA-N 2 0 349.482 3.397 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864714 1292390527 /nfs/dbraw/zinc/39/05/27/1292390527.db2.gz XVRGVKGQBUPRKE-FQEVSTJZSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000829237666 1292556576 /nfs/dbraw/zinc/55/65/76/1292556576.db2.gz ZJMNGFULFDVQQK-HOJAQTOUSA-N 2 0 345.531 3.400 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH3+])c2)[C@H]1c1cccs1 ZINC000830384008 1292714602 /nfs/dbraw/zinc/71/46/02/1292714602.db2.gz ZDIFYBSYVGMXIO-AEFFLSMTSA-N 2 0 343.496 3.020 20 0 EGADRP C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000090117578 1292788404 /nfs/dbraw/zinc/78/84/04/1292788404.db2.gz VALLOKWRGMCGTA-HNNXBMFYSA-N 2 0 341.430 3.489 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000105449252 1293037739 /nfs/dbraw/zinc/03/77/39/1293037739.db2.gz YBEFFXBOCGSJFL-UHFFFAOYSA-N 2 0 335.455 3.009 20 0 EGADRP CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)OCCO1 ZINC000834765041 1293143994 /nfs/dbraw/zinc/14/39/94/1293143994.db2.gz JKBUJSKOXLGIGB-ZCNNSNEGSA-N 2 0 344.499 3.172 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)cc1Br ZINC000119515243 1293275374 /nfs/dbraw/zinc/27/53/74/1293275374.db2.gz CMJURPSWENBBMV-OAHLLOKOSA-N 2 0 343.309 3.204 20 0 EGADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000120863427 1293342598 /nfs/dbraw/zinc/34/25/98/1293342598.db2.gz STTBISYHYSNAII-GJYPPUQNSA-N 2 0 346.471 3.383 20 0 EGADRP Cc1ccsc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000121183709 1293359518 /nfs/dbraw/zinc/35/95/18/1293359518.db2.gz XIJKIGKIXFSQBG-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803484 1293390144 /nfs/dbraw/zinc/39/01/44/1293390144.db2.gz JLJKQNUILPOBBB-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP Cc1nccn1-c1ccc(CN[C@H](C)c2cccnc2Cl)cn1 ZINC000126358629 1293531920 /nfs/dbraw/zinc/53/19/20/1293531920.db2.gz LGYUJIHVZNBSNO-GFCCVEGCSA-N 2 0 327.819 3.475 20 0 EGADRP Cc1nn(C)c(C)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000127324115 1293560701 /nfs/dbraw/zinc/56/07/01/1293560701.db2.gz WCAHOVDXYVQSKX-UHFFFAOYSA-N 2 0 332.517 3.100 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000128740024 1293603053 /nfs/dbraw/zinc/60/30/53/1293603053.db2.gz YHELLLCWPWLREA-IBGZPJMESA-N 2 0 327.472 3.195 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1cc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000130995492 1293676393 /nfs/dbraw/zinc/67/63/93/1293676393.db2.gz LDPRXOCASHQPRY-GOSISDBHSA-N 2 0 331.529 3.263 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000151001205 1293902804 /nfs/dbraw/zinc/90/28/04/1293902804.db2.gz VNDVREYTYUFWOK-AWEZNQCLSA-N 2 0 339.530 3.318 20 0 EGADRP Cc1oc2ccccc2c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000155734152 1294112699 /nfs/dbraw/zinc/11/26/99/1294112699.db2.gz SWXLTPKHMMZRDJ-UHFFFAOYSA-N 2 0 341.499 3.389 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160224703 1294262906 /nfs/dbraw/zinc/26/29/06/1294262906.db2.gz JQYPQHHKFNDRSR-CALCHBBNSA-N 2 0 340.515 3.496 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000161442269 1294291823 /nfs/dbraw/zinc/29/18/23/1294291823.db2.gz BRLVQWUQLHYIBO-LJQANCHMSA-N 2 0 339.524 3.145 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(F)cc(F)c3)cc2)CC1 ZINC000162019339 1294304705 /nfs/dbraw/zinc/30/47/05/1294304705.db2.gz VSZHDELHPCSXPB-UHFFFAOYSA-N 2 0 346.421 3.211 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000164591772 1294349628 /nfs/dbraw/zinc/34/96/28/1294349628.db2.gz OMZXYDYZAABAJF-DBVUQKKJSA-N 2 0 343.515 3.195 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000168512642 1294368129 /nfs/dbraw/zinc/36/81/29/1294368129.db2.gz UYHVGQPFFFMGHO-AFYVEPGGSA-N 2 0 343.515 3.015 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCn2cccn2)ccc1OC ZINC000183183199 1295104120 /nfs/dbraw/zinc/10/41/20/1295104120.db2.gz UHBDDQULPBRBMG-INIZCTEOSA-N 2 0 330.476 3.084 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000187752454 1295413680 /nfs/dbraw/zinc/41/36/80/1295413680.db2.gz KPYNGZOZEFCHLG-RDJZCZTQSA-N 2 0 339.524 3.238 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000190193571 1295566097 /nfs/dbraw/zinc/56/60/97/1295566097.db2.gz WLVPGUCYCIDCPX-UHFFFAOYSA-N 2 0 338.536 3.364 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)C1 ZINC000870866093 1296121538 /nfs/dbraw/zinc/12/15/38/1296121538.db2.gz MZPYCHCEMLCLBZ-VDGAXYAQSA-N 2 0 343.515 3.052 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592151 1296593715 /nfs/dbraw/zinc/59/37/15/1296593715.db2.gz YJBFSPFXTZWUQS-CLAROIROSA-N 3 0 341.543 3.409 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871884871 1296594029 /nfs/dbraw/zinc/59/40/29/1296594029.db2.gz LTWAIULTDPAACR-LJQANCHMSA-N 2 0 329.488 3.176 20 0 EGADRP c1coc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000261701729 1296599421 /nfs/dbraw/zinc/59/94/21/1296599421.db2.gz OSGNUZFNPJSPNQ-HCXYKTFWSA-N 2 0 331.504 3.317 20 0 EGADRP CCOc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1OC(F)F ZINC000261757485 1296600802 /nfs/dbraw/zinc/60/08/02/1296600802.db2.gz POHMWSNEUTVFIR-AWEZNQCLSA-N 2 0 328.403 3.390 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000262025066 1296616481 /nfs/dbraw/zinc/61/64/81/1296616481.db2.gz ZFWZRJVYGLZWSB-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP Fc1ccc(Br)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262090801 1296619102 /nfs/dbraw/zinc/61/91/02/1296619102.db2.gz UVMWSGDZKYMXNH-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc(O)ccc1F ZINC000872046351 1296696955 /nfs/dbraw/zinc/69/69/55/1296696955.db2.gz GJXHNUOFRBIRTK-CQSZACIVSA-N 2 0 329.419 3.494 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@H](n2cncn2)C1 ZINC000283887815 1296733370 /nfs/dbraw/zinc/73/33/70/1296733370.db2.gz CKBAJHUMGIRZOO-YZGWKJHDSA-N 2 0 341.503 3.120 20 0 EGADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000302099887 1296797025 /nfs/dbraw/zinc/79/70/25/1296797025.db2.gz BIFRPZAIEFYGJU-JKSUJKDBSA-N 2 0 339.524 3.129 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[C@@H]1c1cccs1 ZINC000872285659 1296895460 /nfs/dbraw/zinc/89/54/60/1296895460.db2.gz BQAVOSICZPDFAD-UIBIWLFHSA-N 2 0 349.544 3.155 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000322069021 1297187100 /nfs/dbraw/zinc/18/71/00/1297187100.db2.gz CYOFDQUDIOJJGI-DJIMGWMZSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340471859 1297312772 /nfs/dbraw/zinc/31/27/72/1297312772.db2.gz YRGCXGWYXPJDRP-SLHNCBLASA-N 2 0 347.551 3.356 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](n2cncn2)C1 ZINC000340471858 1297313453 /nfs/dbraw/zinc/31/34/53/1297313453.db2.gz YRGCXGWYXPJDRP-LTFPLMDUSA-N 2 0 347.551 3.356 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](n2cncn2)C1 ZINC000340522139 1297314706 /nfs/dbraw/zinc/31/47/06/1297314706.db2.gz BMZNBUVNRLMNFU-LSTHTHJFSA-N 2 0 345.535 3.395 20 0 EGADRP c1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)sc2c1C[NH2+]CC2 ZINC000873203059 1297346858 /nfs/dbraw/zinc/34/68/58/1297346858.db2.gz NOLSDRFEDFEYKA-UHFFFAOYSA-N 3 0 347.572 3.482 20 0 EGADRP O[C@@H](c1ccccc1)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201974 1297347844 /nfs/dbraw/zinc/34/78/44/1297347844.db2.gz IECKRXIBNLBOPC-FQEVSTJZSA-N 2 0 342.508 3.339 20 0 EGADRP Clc1ccc2nc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)cn2c1 ZINC000873233020 1297375081 /nfs/dbraw/zinc/37/50/81/1297375081.db2.gz WHWSTFWNDUNFCI-MRXNPFEDSA-N 2 0 332.879 3.390 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260206 1297394012 /nfs/dbraw/zinc/39/40/12/1297394012.db2.gz VOCIMNQUFLFTNR-JBINPLMMSA-N 3 0 327.516 3.017 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000390663548 1297631909 /nfs/dbraw/zinc/63/19/09/1297631909.db2.gz QKRQEYZERSFQJU-HXUWFJFHSA-N 2 0 329.532 3.219 20 0 EGADRP O=C(NCCCCCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000874174994 1297809469 /nfs/dbraw/zinc/80/94/69/1297809469.db2.gz UGTOLFIJLUCILH-IBGZPJMESA-N 2 0 335.536 3.166 20 0 EGADRP C[NH+](C)CC1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CC1 ZINC000874434713 1297886659 /nfs/dbraw/zinc/88/66/59/1297886659.db2.gz BBTOVVWOVPWIMW-UHFFFAOYSA-N 2 0 340.471 3.316 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000498212435 1297953884 /nfs/dbraw/zinc/95/38/84/1297953884.db2.gz OXPULMUAOQFHSG-HKUYNNGSSA-N 2 0 335.536 3.199 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692153868 1298140416 /nfs/dbraw/zinc/14/04/16/1298140416.db2.gz YPFGYTJLWRBXLQ-OAHLLOKOSA-N 2 0 341.540 3.342 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000700806219 1298180046 /nfs/dbraw/zinc/18/00/46/1298180046.db2.gz XWQDVTFGIZWBHO-GTPINHCMSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719932218 1298325971 /nfs/dbraw/zinc/32/59/71/1298325971.db2.gz IPZIDEKRBLMGJP-WOJBJXKFSA-N 2 0 345.531 3.263 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724043651 1298344968 /nfs/dbraw/zinc/34/49/68/1298344968.db2.gz BSUQMECGRPIFAQ-BBWFWOEESA-N 2 0 339.524 3.001 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724028785 1298345027 /nfs/dbraw/zinc/34/50/27/1298345027.db2.gz NWGOFLAJTGXZKN-JKSUJKDBSA-N 2 0 339.524 3.001 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724068608 1298347350 /nfs/dbraw/zinc/34/73/50/1298347350.db2.gz MHAATZLMZMEYJY-BBWFWOEESA-N 2 0 339.524 3.001 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000925625663 1325236150 /nfs/dbraw/zinc/23/61/50/1325236150.db2.gz HNNOITLRHNIVAL-ZPBACHKLSA-N 2 0 337.870 3.163 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000876708234 1298932179 /nfs/dbraw/zinc/93/21/79/1298932179.db2.gz IUONNVNKQBQFLQ-HNAYVOBHSA-N 2 0 347.478 3.337 20 0 EGADRP C[NH+]1CCC(CC[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877020591 1299116914 /nfs/dbraw/zinc/11/69/14/1299116914.db2.gz ZAFOMUYFKRDVIL-UHFFFAOYSA-N 2 0 339.524 3.003 20 0 EGADRP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1)C1CCCC1 ZINC000877451369 1299311807 /nfs/dbraw/zinc/31/18/07/1299311807.db2.gz KGHVEMXPTBGXGU-YWZLYKJASA-N 2 0 341.499 3.050 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000877508470 1299357756 /nfs/dbraw/zinc/35/77/56/1299357756.db2.gz ZBSVQLQDCVOEJL-AWEZNQCLSA-N 2 0 343.298 3.443 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000877684735 1299477316 /nfs/dbraw/zinc/47/73/16/1299477316.db2.gz VEUOTFOHHBDLIH-MRXNPFEDSA-N 2 0 335.517 3.302 20 0 EGADRP CC(C)n1ncc2cc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)cnc21 ZINC000877684701 1299477793 /nfs/dbraw/zinc/47/77/93/1299477793.db2.gz TZNSFJURWQPVKE-UHFFFAOYSA-N 2 0 341.503 3.320 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nnc(-c3ccccc3)o1)CC2 ZINC000879248366 1300453348 /nfs/dbraw/zinc/45/33/48/1300453348.db2.gz LVTSBRINCDTROR-UHFFFAOYSA-N 2 0 326.444 3.044 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)c1ccc(F)cc1Cl)CC2 ZINC000879250597 1300453882 /nfs/dbraw/zinc/45/38/82/1300453882.db2.gz WRJCLUMATUNIEA-QGZVFWFLSA-N 2 0 340.870 3.320 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000758204550 1300812388 /nfs/dbraw/zinc/81/23/88/1300812388.db2.gz VQYDOHFIJNMPRA-UYAOXDASSA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759845021 1301174582 /nfs/dbraw/zinc/17/45/82/1301174582.db2.gz NRPDFXIJIANPPE-QGZVFWFLSA-N 2 0 328.859 3.176 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H](Cn2ccnc2)c2ccccc2)CCO1 ZINC000883387801 1302425594 /nfs/dbraw/zinc/42/55/94/1302425594.db2.gz FIECHEPXJOTDHY-OAGGEKHMSA-N 2 0 339.361 3.324 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883431643 1302442290 /nfs/dbraw/zinc/44/22/90/1302442290.db2.gz ALILKKFHFRQURT-DOIPELPJSA-N 2 0 344.499 3.125 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCc3cccnc32)cc1 ZINC000886522969 1303485827 /nfs/dbraw/zinc/48/58/27/1303485827.db2.gz ULXWALKKJLUTCE-LJQANCHMSA-N 2 0 325.456 3.189 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000886540239 1303492409 /nfs/dbraw/zinc/49/24/09/1303492409.db2.gz BLAPOCWRKLUWGH-JWFWCLOMSA-N 2 0 349.563 3.017 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000886540241 1303492618 /nfs/dbraw/zinc/49/26/18/1303492618.db2.gz BLAPOCWRKLUWGH-RKDVLTNBSA-N 2 0 349.563 3.017 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@]2(O)CCc3ccccc32)CC1 ZINC000886555057 1303498838 /nfs/dbraw/zinc/49/88/38/1303498838.db2.gz JUCWMYVRURCXCO-MNLRITNHSA-N 2 0 328.500 3.207 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cc(C)n[nH]2)ccc1OC ZINC000775394595 1303955132 /nfs/dbraw/zinc/95/51/32/1303955132.db2.gz QOXOJLMZJWXWAZ-HNNXBMFYSA-N 2 0 330.476 3.419 20 0 EGADRP CC[NH+]1CCC(Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000777583977 1304321624 /nfs/dbraw/zinc/32/16/24/1304321624.db2.gz UMRGPPAFQZOSPG-QGZVFWFLSA-N 2 0 331.504 3.303 20 0 EGADRP C[C@@H]1C[C@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000777598221 1304323410 /nfs/dbraw/zinc/32/34/10/1304323410.db2.gz MIZPOSNBWGYSSQ-IEBWSBKVSA-N 2 0 331.504 3.446 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000780285413 1304671780 /nfs/dbraw/zinc/67/17/80/1304671780.db2.gz JJRHGOIZVNNRFP-ZVDOUQERSA-N 2 0 341.543 3.207 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782761879 1305010837 /nfs/dbraw/zinc/01/08/37/1305010837.db2.gz AMNZFZYYAGPKGL-PMACEKPBSA-N 2 0 334.504 3.101 20 0 EGADRP CCCSC[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000892398183 1305352202 /nfs/dbraw/zinc/35/22/02/1305352202.db2.gz XLOCRLIDJCDOSF-HKUYNNGSSA-N 2 0 335.561 3.096 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000892574814 1305449024 /nfs/dbraw/zinc/44/90/24/1305449024.db2.gz NQTGNZTYAITGRH-QZTJIDSGSA-N 2 0 334.504 3.060 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786817965 1305634901 /nfs/dbraw/zinc/63/49/01/1305634901.db2.gz YNRPJKYRKKTLMX-MRXNPFEDSA-N 2 0 344.503 3.131 20 0 EGADRP CCOC(CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)OCC ZINC000786971057 1305669913 /nfs/dbraw/zinc/66/99/13/1305669913.db2.gz RPTMNVWOEYORSB-FUHWJXTLSA-N 2 0 326.525 3.408 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000893207512 1305762301 /nfs/dbraw/zinc/76/23/01/1305762301.db2.gz LVZBSCLOXTZDMK-LAUBAEHRSA-N 2 0 346.515 3.243 20 0 EGADRP COC(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1C ZINC000893329146 1305834407 /nfs/dbraw/zinc/83/44/07/1305834407.db2.gz ARKNGZCWKZRZTB-UHFFFAOYSA-N 2 0 326.440 3.133 20 0 EGADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000893858962 1306100934 /nfs/dbraw/zinc/10/09/34/1306100934.db2.gz TTWFNMCFZYQQCE-UHFFFAOYSA-N 2 0 333.423 3.308 20 0 EGADRP CCCC1CCC([N@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790387359 1306313403 /nfs/dbraw/zinc/31/34/03/1306313403.db2.gz NGADILPVPHBGSH-NLPFYKDJSA-N 2 0 349.519 3.151 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000894377579 1306366985 /nfs/dbraw/zinc/36/69/85/1306366985.db2.gz BHMZTJFXIZRKOG-UHFFFAOYSA-N 2 0 341.902 3.029 20 0 EGADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895296372 1309275105 /nfs/dbraw/zinc/27/51/05/1309275105.db2.gz IDZTXFLOZMJNPE-CHWSQXEVSA-N 2 0 345.409 3.352 20 0 EGADRP Cc1ccc(CC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1C ZINC000794598041 1309551116 /nfs/dbraw/zinc/55/11/16/1309551116.db2.gz LSXFNPFXESJATG-NRFANRHFSA-N 2 0 330.516 3.015 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000896388477 1309834198 /nfs/dbraw/zinc/83/41/98/1309834198.db2.gz WWKYMFJZNHTQQW-QLOLRVAOSA-N 2 0 340.483 3.007 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000896870758 1310060284 /nfs/dbraw/zinc/06/02/84/1310060284.db2.gz MDUCEOWBYAFWEZ-BHIYHBOVSA-N 2 0 343.515 3.029 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799014248 1310468767 /nfs/dbraw/zinc/46/87/67/1310468767.db2.gz FGXAAXNIKLNBGR-LAUBAEHRSA-N 2 0 345.531 3.182 20 0 EGADRP O[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000898204575 1310626517 /nfs/dbraw/zinc/62/65/17/1310626517.db2.gz WSRHGCZETOWMQT-UWHLTILDSA-N 2 0 328.500 3.038 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000898611944 1310803740 /nfs/dbraw/zinc/80/37/40/1310803740.db2.gz YNZCMYMYWSXRCC-RMFNQSEZSA-N 2 0 336.520 3.351 20 0 EGADRP ClC1(Cl)C[C@H]1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822660235 1320109782 /nfs/dbraw/zinc/10/97/82/1320109782.db2.gz ZWXKWAVGQRZNBL-CQSZACIVSA-N 2 0 335.319 3.147 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857256566 1328525423 /nfs/dbraw/zinc/52/54/23/1328525423.db2.gz HBDRDFOUMOFSRW-PMACEKPBSA-N 2 0 343.515 3.100 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018966924 1316987941 /nfs/dbraw/zinc/98/79/41/1316987941.db2.gz XGKSZVMHDMZLIE-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000957117724 1317196459 /nfs/dbraw/zinc/19/64/59/1317196459.db2.gz BIQQLZVZLOFCGG-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900413752 1317285064 /nfs/dbraw/zinc/28/50/64/1317285064.db2.gz ZSHKDRRGEUIBOE-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001019823574 1317440368 /nfs/dbraw/zinc/44/03/68/1317440368.db2.gz LJWXKICWBSVFJP-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)CC1 ZINC000957574639 1317471616 /nfs/dbraw/zinc/47/16/16/1317471616.db2.gz AWBBWJRKAVXOLL-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC000957606044 1317492431 /nfs/dbraw/zinc/49/24/31/1317492431.db2.gz WXCBMHKDVQQJIN-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647619 1317519142 /nfs/dbraw/zinc/51/91/42/1317519142.db2.gz PINYMVOENSSIGC-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000902320814 1317563341 /nfs/dbraw/zinc/56/33/41/1317563341.db2.gz RJFRRPGZCXKCEE-QGZVFWFLSA-N 2 0 341.455 3.400 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902349850 1317566467 /nfs/dbraw/zinc/56/64/67/1317566467.db2.gz RYGXGXQJDZFQEK-FQEVSTJZSA-N 2 0 329.532 3.327 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cc2)CC1 ZINC000902385424 1317571162 /nfs/dbraw/zinc/57/11/62/1317571162.db2.gz UORZGGWCGIJVQC-GOSISDBHSA-N 3 0 345.531 3.027 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000957760232 1317627585 /nfs/dbraw/zinc/62/75/85/1317627585.db2.gz UDYAXYUALQCQSZ-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](CCCC3CCC3)CC2)c1 ZINC000957767730 1317630655 /nfs/dbraw/zinc/63/06/55/1317630655.db2.gz GKXTUCPTHAPPGH-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1)C(C)C ZINC000957772533 1317635530 /nfs/dbraw/zinc/63/55/30/1317635530.db2.gz INQWGKAANDEGJR-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C(=O)CCC2(C)C)CC1)CC(C)C ZINC000808176479 1317640856 /nfs/dbraw/zinc/64/08/56/1317640856.db2.gz GCTBTSJAPWMUFK-UHFFFAOYSA-N 2 0 337.552 3.425 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000957786360 1317645059 /nfs/dbraw/zinc/64/50/59/1317645059.db2.gz NEXRCLFQVYYYKI-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCOCC2)cc1 ZINC000903066347 1317646227 /nfs/dbraw/zinc/64/62/27/1317646227.db2.gz KTKNZHYKQNMAIW-VCSGRIEYSA-N 2 0 340.511 3.482 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903083611 1317648926 /nfs/dbraw/zinc/64/89/26/1317648926.db2.gz KDGLLULVXVETRV-FQEVSTJZSA-N 2 0 325.456 3.263 20 0 EGADRP COc1ccccc1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903089987 1317650852 /nfs/dbraw/zinc/65/08/52/1317650852.db2.gz UVQLZXSKUQRJLP-ZNXRZULTSA-N 2 0 330.472 3.212 20 0 EGADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903116817 1317655660 /nfs/dbraw/zinc/65/56/60/1317655660.db2.gz JLIQBNBDALJUCS-XEOJFFABSA-N 2 0 346.515 3.134 20 0 EGADRP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](O)c1ccccc1 ZINC000903159422 1317664745 /nfs/dbraw/zinc/66/47/45/1317664745.db2.gz OOPJDQQMDOXEAW-VUQUMOFBSA-N 2 0 328.500 3.492 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@H](C)C1 ZINC000903244668 1317681112 /nfs/dbraw/zinc/68/11/12/1317681112.db2.gz ARMMGBRCCPFWMB-MJGOQNOKSA-N 2 0 340.552 3.166 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001020432427 1317694970 /nfs/dbraw/zinc/69/49/70/1317694970.db2.gz MQQJOAHNYYWGHY-VAMGGRTRSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1c1ccccc1 ZINC000903735428 1317728189 /nfs/dbraw/zinc/72/81/89/1317728189.db2.gz ZUOPKCMZYAZODC-YZGWKJHDSA-N 2 0 328.500 3.271 20 0 EGADRP CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778183 1317732327 /nfs/dbraw/zinc/73/23/27/1317732327.db2.gz KEXMDDHYZBSPLS-KNBMTAEXSA-N 2 0 332.463 3.162 20 0 EGADRP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786948 1317734446 /nfs/dbraw/zinc/73/44/46/1317734446.db2.gz QZTJCHUQXAYGPT-WMZOPIPTSA-N 2 0 342.483 3.181 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000903792985 1317735245 /nfs/dbraw/zinc/73/52/45/1317735245.db2.gz KORSUOJRGCSHQL-HOTGVXAUSA-N 2 0 342.405 3.089 20 0 EGADRP [NH3+]CC1([C@H]2CCCCN2C[C@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810368 1317737034 /nfs/dbraw/zinc/73/70/34/1317737034.db2.gz BSLBECTWELWCEB-DLBZAZTESA-N 2 0 340.870 3.496 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020519673 1317739890 /nfs/dbraw/zinc/73/98/90/1317739890.db2.gz PAGGAOKDUJBENB-IYARVYRRSA-N 2 0 347.503 3.162 20 0 EGADRP COc1ccc(C(=O)C2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903878954 1317740662 /nfs/dbraw/zinc/74/06/62/1317740662.db2.gz NZAFMIPODQDROL-QNBRMCRTSA-N 2 0 342.483 3.121 20 0 EGADRP Cc1c(C[C@H](C[NH3+])C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cnn1C ZINC000903880929 1317740980 /nfs/dbraw/zinc/74/09/80/1317740980.db2.gz XKNPQLFOGATSSS-MRXNPFEDSA-N 2 0 346.906 3.164 20 0 EGADRP Fc1ccc(OC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(F)c1 ZINC000903888523 1317742324 /nfs/dbraw/zinc/74/23/24/1317742324.db2.gz DXVZNPGEMBBQCG-VHRNVKJDSA-N 2 0 336.426 3.339 20 0 EGADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2ccccc2)cnn1C ZINC000903905467 1317746343 /nfs/dbraw/zinc/74/63/43/1317746343.db2.gz GOQDIBHFXLITSR-YLJYHZDGSA-N 2 0 326.488 3.073 20 0 EGADRP [NH3+][C@H](C[NH2+]CC1(c2cccc(Br)c2)CC1)CC(F)F ZINC000903925922 1317750012 /nfs/dbraw/zinc/75/00/12/1317750012.db2.gz PHTVRRGVNKFUBJ-LBPRGKRZSA-N 2 0 333.220 3.053 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311427 1317828530 /nfs/dbraw/zinc/82/85/30/1317828530.db2.gz BGPCXPDHUWRMOP-FQEVSTJZSA-N 2 0 326.488 3.331 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904342694 1317833734 /nfs/dbraw/zinc/83/37/34/1317833734.db2.gz NQSDKSBAAJJBMA-PXNSSMCTSA-N 2 0 326.488 3.199 20 0 EGADRP C[C@H]1C[C@H](C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)CC[NH2+]1 ZINC000904388985 1317840936 /nfs/dbraw/zinc/84/09/36/1317840936.db2.gz FXJGYCBUUPMEHF-GOEBONIOSA-N 2 0 333.545 3.274 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904404601 1317842238 /nfs/dbraw/zinc/84/22/38/1317842238.db2.gz ADNVVSALJDGIGU-KRWDZBQOSA-N 2 0 346.906 3.372 20 0 EGADRP CCC[C@@](C)([NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C)c1ccccc1 ZINC000904469596 1317851642 /nfs/dbraw/zinc/85/16/42/1317851642.db2.gz NMLMWBPTXZBIQC-FXAWDEMLSA-N 2 0 328.504 3.151 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000809757850 1317893865 /nfs/dbraw/zinc/89/38/65/1317893865.db2.gz ZFUYWRAZINYJBA-KRWDZBQOSA-N 2 0 341.540 3.297 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001020865880 1317975561 /nfs/dbraw/zinc/97/55/61/1317975561.db2.gz QBJACKDTNPAFFD-MXVIHJGJSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCCC2)C1 ZINC001021460780 1318265931 /nfs/dbraw/zinc/26/59/31/1318265931.db2.gz JOVWQOFREVEEHE-XUBOLADHSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960033912 1318320312 /nfs/dbraw/zinc/32/03/12/1318320312.db2.gz VGUZLPWCXZAPGB-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637265 1318493508 /nfs/dbraw/zinc/49/35/08/1318493508.db2.gz ZUNMUYMAIYMASB-VQIMIIECSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021690191 1318563630 /nfs/dbraw/zinc/56/36/30/1318563630.db2.gz GQIMRLSEOZXGRC-UXHICEINSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858491926 1328777873 /nfs/dbraw/zinc/77/78/73/1328777873.db2.gz QNGOWWHSKRJWFC-IRXDYDNUSA-N 2 0 345.487 3.416 20 0 EGADRP C[C@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000813828516 1318638516 /nfs/dbraw/zinc/63/85/16/1318638516.db2.gz UQVQMUOESZUYPQ-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022164487 1318825429 /nfs/dbraw/zinc/82/54/29/1318825429.db2.gz LCUDCTCODMVOHK-ZCNNSNEGSA-N 2 0 349.563 3.458 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001022165037 1318825783 /nfs/dbraw/zinc/82/57/83/1318825783.db2.gz STMINAKGVXDRIW-LMCOJAPRSA-N 2 0 343.515 3.167 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001022436801 1318941249 /nfs/dbraw/zinc/94/12/49/1318941249.db2.gz QOZSIQHWWRSYMW-HDICACEKSA-N 2 0 348.450 3.002 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000815614240 1319028039 /nfs/dbraw/zinc/02/80/39/1319028039.db2.gz JXNDGKVRFRLUGV-MRXNPFEDSA-N 2 0 345.487 3.416 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCC2)cc1 ZINC000960927817 1319071884 /nfs/dbraw/zinc/07/18/84/1319071884.db2.gz OFXXFXKZLQSLAV-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022807484 1319118698 /nfs/dbraw/zinc/11/86/98/1319118698.db2.gz HVUJCFGIVKKFKF-HSALFYBXSA-N 2 0 347.547 3.377 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029262 1319151583 /nfs/dbraw/zinc/15/15/83/1319151583.db2.gz UPVNBVCHHJYYTQ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1nccn1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000961035066 1319158941 /nfs/dbraw/zinc/15/89/41/1319158941.db2.gz OQRLOWUSSQZYFA-IBGZPJMESA-N 2 0 346.519 3.085 20 0 EGADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000817897732 1319454652 /nfs/dbraw/zinc/45/46/52/1319454652.db2.gz WLOVBSIMIJEESZ-ZIBCJSCZSA-N 2 0 327.516 3.474 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902226 1319454741 /nfs/dbraw/zinc/45/47/41/1319454741.db2.gz LLPLSLZTBWHQQA-FTRWYGJKSA-N 2 0 328.456 3.014 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817926860 1319462988 /nfs/dbraw/zinc/46/29/88/1319462988.db2.gz AZONOJLTTAGIOF-BMLIUANNSA-N 2 0 337.826 3.025 20 0 EGADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817964867 1319479409 /nfs/dbraw/zinc/47/94/09/1319479409.db2.gz LSJWBYCWQSPTCM-HZPDHXFCSA-N 2 0 339.524 3.144 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000817976991 1319483582 /nfs/dbraw/zinc/48/35/82/1319483582.db2.gz YRAGOSUYKQJKAM-OXQOHEQNSA-N 3 0 345.531 3.330 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000817987181 1319486508 /nfs/dbraw/zinc/48/65/08/1319486508.db2.gz XLBGCCBUNTXZJK-RDJZCZTQSA-N 2 0 327.472 3.139 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411848 1319568252 /nfs/dbraw/zinc/56/82/52/1319568252.db2.gz PEPDAZMRNHYSTC-UYAOXDASSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000818634875 1319573335 /nfs/dbraw/zinc/57/33/35/1319573335.db2.gz TYMQHPPDYZHLNF-UHFFFAOYSA-N 2 0 344.503 3.372 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000818959306 1319590780 /nfs/dbraw/zinc/59/07/80/1319590780.db2.gz HWRLTKRJQDCZEW-KDOFPFPSSA-N 2 0 326.431 3.242 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489989 1319594416 /nfs/dbraw/zinc/59/44/16/1319594416.db2.gz QEQKHKJTBLZVJW-QGZVFWFLSA-N 2 0 342.487 3.212 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961441688 1319595692 /nfs/dbraw/zinc/59/56/92/1319595692.db2.gz PYXNAVPPEOCLDZ-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cccc(OC[C@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000819142947 1319647872 /nfs/dbraw/zinc/64/78/72/1319647872.db2.gz UHUOVANRRJJMCU-SOAGJPPSSA-N 2 0 346.515 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552728 1319663917 /nfs/dbraw/zinc/66/39/17/1319663917.db2.gz MCDCTTPCGKAGBC-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000961917575 1319774019 /nfs/dbraw/zinc/77/40/19/1319774019.db2.gz UQZFSUSRCZZRRT-IOJLRTSASA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962025134 1319802599 /nfs/dbraw/zinc/80/25/99/1319802599.db2.gz VBAXOHNIGBNFOP-MHJFOBGBSA-N 2 0 347.547 3.092 20 0 EGADRP O=C(NC1CC(C[NH2+]CC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC000962039708 1319805352 /nfs/dbraw/zinc/80/53/52/1319805352.db2.gz NDNJASKGFHWKNG-UHFFFAOYSA-N 2 0 340.471 3.013 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC000962270111 1319892522 /nfs/dbraw/zinc/89/25/22/1319892522.db2.gz IJLFCUVYQMQOIV-ZSYWTGECSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820821446 1319961968 /nfs/dbraw/zinc/96/19/68/1319961968.db2.gz DTKXFZYHSBGLDV-MRXNPFEDSA-N 2 0 343.471 3.120 20 0 EGADRP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C2 ZINC000820829938 1319964379 /nfs/dbraw/zinc/96/43/79/1319964379.db2.gz NPOZJQQULOZFLZ-DNVCBOLYSA-N 2 0 340.467 3.411 20 0 EGADRP [NH3+]Cc1cccc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000822658795 1320109566 /nfs/dbraw/zinc/10/95/66/1320109566.db2.gz CUAWBJILODFVGU-UHFFFAOYSA-N 2 0 334.423 3.458 20 0 EGADRP C[C@H](NCc1cc(C2CC2)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824119353 1320230641 /nfs/dbraw/zinc/23/06/41/1320230641.db2.gz HHDFPJQWRLEURK-LPHOPBHVSA-N 2 0 338.499 3.298 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000841029172 1321203474 /nfs/dbraw/zinc/20/34/74/1321203474.db2.gz VEBXTAZQNUCEPK-ZBFHGGJFSA-N 2 0 346.462 3.256 20 0 EGADRP Cc1ccc(-n2c(Cl)c(C[NH2+][C@H](C)CCC[NH3+])nc2N(C)C)cc1 ZINC000841081784 1321215212 /nfs/dbraw/zinc/21/52/12/1321215212.db2.gz YOVAXOQRUQZFDX-CQSZACIVSA-N 2 0 349.910 3.117 20 0 EGADRP COc1cccc2cc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)oc21 ZINC000841104870 1321218915 /nfs/dbraw/zinc/21/89/15/1321218915.db2.gz VTSGAHGTUFSJBZ-QFBILLFUSA-N 2 0 344.455 3.160 20 0 EGADRP C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211788 1328946752 /nfs/dbraw/zinc/94/67/52/1328946752.db2.gz AGQFKSAEVPGVKU-LAUBAEHRSA-N 2 0 326.484 3.345 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOCC(F)(F)C(F)F)cc1 ZINC000859212195 1328946888 /nfs/dbraw/zinc/94/68/88/1328946888.db2.gz HLWHLLNYXJIQDC-UHFFFAOYSA-N 2 0 336.373 3.097 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000841817661 1321318637 /nfs/dbraw/zinc/31/86/37/1321318637.db2.gz QZEGLWZXQSLYFV-ZLPCBKJTSA-N 2 0 346.519 3.027 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474695 1321393748 /nfs/dbraw/zinc/39/37/48/1321393748.db2.gz WUDSIEGLSACBAB-VQIMIIECSA-N 2 0 340.467 3.319 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842710740 1321422096 /nfs/dbraw/zinc/42/20/96/1321422096.db2.gz CDSYLYWNLTZOLA-NSHDSACASA-N 2 0 346.700 3.319 20 0 EGADRP CC(C)[C@H]([NH3+])c1noc(-c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000843153915 1321479713 /nfs/dbraw/zinc/47/97/13/1321479713.db2.gz PWQYMEMSRWTGHD-VBQJREDUSA-N 2 0 344.459 3.002 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000843363474 1321506730 /nfs/dbraw/zinc/50/67/30/1321506730.db2.gz LVUJVASJRCFLFQ-MRXNPFEDSA-N 2 0 339.483 3.488 20 0 EGADRP CCCN(C(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844173866 1321576061 /nfs/dbraw/zinc/57/60/61/1321576061.db2.gz BAHXXXQBVKQHCJ-WOJBJXKFSA-N 2 0 343.515 3.017 20 0 EGADRP C[NH2+]CCc1ccccc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000844189578 1321577241 /nfs/dbraw/zinc/57/72/41/1321577241.db2.gz PRPVQWCKMPRPIG-UHFFFAOYSA-N 2 0 325.456 3.071 20 0 EGADRP COCc1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OC ZINC000844923407 1321658361 /nfs/dbraw/zinc/65/83/61/1321658361.db2.gz HZNSWLBFICMNPY-ZDUSSCGKSA-N 2 0 332.419 3.290 20 0 EGADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846903775 1321822126 /nfs/dbraw/zinc/82/21/26/1321822126.db2.gz ZDFOXWRXBDMZFM-UHFFFAOYSA-N 2 0 345.406 3.093 20 0 EGADRP c1cc(-c2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)ccc1C[NH+]1CCCC1 ZINC000848618789 1321981651 /nfs/dbraw/zinc/98/16/51/1321981651.db2.gz WDZJJHWCWVCBFA-PXNSSMCTSA-N 2 0 338.455 3.190 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000849055254 1322060585 /nfs/dbraw/zinc/06/05/85/1322060585.db2.gz XTZASJFTMVQGJN-SFHVURJKSA-N 2 0 346.519 3.210 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1Cl ZINC000849074978 1322067102 /nfs/dbraw/zinc/06/71/02/1322067102.db2.gz WDDLTFHOVYQFIQ-AWEZNQCLSA-N 2 0 336.911 3.216 20 0 EGADRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849084015 1322071939 /nfs/dbraw/zinc/07/19/39/1322071939.db2.gz UBSTXFLBATWIOS-LBPRGKRZSA-N 2 0 344.381 3.253 20 0 EGADRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849084014 1322072016 /nfs/dbraw/zinc/07/20/16/1322072016.db2.gz UBSTXFLBATWIOS-GFCCVEGCSA-N 2 0 344.381 3.253 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=[NH2+])NC3CCC3)cc2)C1 ZINC000849110696 1322082412 /nfs/dbraw/zinc/08/24/12/1322082412.db2.gz KQLJHPFYQUDSEU-HZPDHXFCSA-N 2 0 328.504 3.331 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920761921 1322219539 /nfs/dbraw/zinc/21/95/39/1322219539.db2.gz CDQRIFUPDQNWBU-KDURUIRLSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850464353 1322252965 /nfs/dbraw/zinc/25/29/65/1322252965.db2.gz GHHWKRLAWYLFNA-IRXDYDNUSA-N 2 0 332.488 3.163 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000850557099 1322265782 /nfs/dbraw/zinc/26/57/82/1322265782.db2.gz NACFQOYXNNFQBA-RLCCDNCMSA-N 2 0 331.287 3.347 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000850557102 1322266088 /nfs/dbraw/zinc/26/60/88/1322266088.db2.gz NACFQOYXNNFQBA-UVBJJODRSA-N 2 0 331.287 3.347 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751423 1322392146 /nfs/dbraw/zinc/39/21/46/1322392146.db2.gz XGSPRYRHOXLBLV-OXQOHEQNSA-N 2 0 337.467 3.017 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc3ccccc13)C2 ZINC000922388782 1322515872 /nfs/dbraw/zinc/51/58/72/1322515872.db2.gz RGETZHPAXIFNSP-JYBIWHBTSA-N 2 0 344.524 3.471 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000922845395 1322631962 /nfs/dbraw/zinc/63/19/62/1322631962.db2.gz PUHSSOJWCOBPCO-UHFFFAOYSA-N 2 0 330.520 3.423 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321222 1322733049 /nfs/dbraw/zinc/73/30/49/1322733049.db2.gz AIWLNWVUINCYON-ZQEFZMAUSA-N 3 0 333.564 3.494 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1C[C@H](O)Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000923384027 1322743853 /nfs/dbraw/zinc/74/38/53/1322743853.db2.gz QTSRIVFWFSLIOR-LAUBAEHRSA-N 2 0 338.495 3.207 20 0 EGADRP O[C@@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC000923390857 1322744286 /nfs/dbraw/zinc/74/42/86/1322744286.db2.gz WKGVELHPTSFAPA-KDOFPFPSSA-N 2 0 340.870 3.224 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](CC[NH3+])C3)c2cc1C(C)C ZINC000923483499 1322759796 /nfs/dbraw/zinc/75/97/96/1322759796.db2.gz AZUSPROQZIRBJK-HNNXBMFYSA-N 2 0 328.456 3.396 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491609 1322762054 /nfs/dbraw/zinc/76/20/54/1322762054.db2.gz JWXLNTWQCPNEPA-SJORKVTESA-N 2 0 337.467 3.351 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000923823165 1322818088 /nfs/dbraw/zinc/81/80/88/1322818088.db2.gz OAQPNRLPIISFGQ-QGZVFWFLSA-N 2 0 344.459 3.222 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000924572992 1323059322 /nfs/dbraw/zinc/05/93/22/1323059322.db2.gz NZRBAMCGKSOCNJ-GTPINHCMSA-N 2 0 339.524 3.144 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001024017016 1323079163 /nfs/dbraw/zinc/07/91/63/1323079163.db2.gz RQTGUGVZCXXHFW-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001024018477 1323080886 /nfs/dbraw/zinc/08/08/86/1323080886.db2.gz ORHLITFKSCCZDU-QZTJIDSGSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1)CC1CC1 ZINC000851889399 1323106927 /nfs/dbraw/zinc/10/69/27/1323106927.db2.gz HUYZEKBYBQHGKY-IBGZPJMESA-N 2 0 338.536 3.362 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924953126 1323227518 /nfs/dbraw/zinc/22/75/18/1323227518.db2.gz PISBIYBNWAMNGK-HZPDHXFCSA-N 2 0 329.488 3.275 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924964351 1323230111 /nfs/dbraw/zinc/23/01/11/1323230111.db2.gz ATDCELUOESXONH-MRXNPFEDSA-N 2 0 329.488 3.419 20 0 EGADRP O[C@@H](c1ccccc1)C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000852745486 1323234357 /nfs/dbraw/zinc/23/43/57/1323234357.db2.gz TVWKIVCFBYQOHK-QFIPXVFZSA-N 2 0 336.479 3.278 20 0 EGADRP FC(F)(F)c1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852744490 1323235151 /nfs/dbraw/zinc/23/51/51/1323235151.db2.gz BOCKEUOCANQHHS-XJKSGUPXSA-N 2 0 340.389 3.363 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cccc2c1C[NH2+]C2 ZINC000852799806 1323243343 /nfs/dbraw/zinc/24/33/43/1323243343.db2.gz VHKBDPXWBPBLQR-UHFFFAOYSA-N 2 0 341.499 3.064 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(-c2ccccc2)no1 ZINC000925023416 1323248514 /nfs/dbraw/zinc/24/85/14/1323248514.db2.gz NAHQFPKXPCXYPK-FUHWJXTLSA-N 2 0 343.471 3.229 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024436253 1323395891 /nfs/dbraw/zinc/39/58/91/1323395891.db2.gz AUTWWCNFQAPBIA-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440162 1323401234 /nfs/dbraw/zinc/40/12/34/1323401234.db2.gz LKGRUUAUMRCXEE-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440160 1323401412 /nfs/dbraw/zinc/40/14/12/1323401412.db2.gz LKGRUUAUMRCXEE-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001024514332 1323465138 /nfs/dbraw/zinc/46/51/38/1323465138.db2.gz XTRHWNKFFYLXHZ-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC=C(C)C)C1 ZINC001024614925 1323541797 /nfs/dbraw/zinc/54/17/97/1323541797.db2.gz LOZYTCFGCJFSDF-OALUTQOASA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCC2)CC[N@@H+]1C ZINC001024620029 1323547230 /nfs/dbraw/zinc/54/72/30/1323547230.db2.gz LFMQUMOIQZJFLR-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCCCC2)C1 ZINC001024803289 1323705906 /nfs/dbraw/zinc/70/59/06/1323705906.db2.gz GQZAPERIPOKGFC-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024979211 1323811383 /nfs/dbraw/zinc/81/13/83/1323811383.db2.gz OHTFGSLUSMFLDC-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001024982383 1323811744 /nfs/dbraw/zinc/81/17/44/1323811744.db2.gz NVWUKPQFOASWQD-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025020399 1323829806 /nfs/dbraw/zinc/82/98/06/1323829806.db2.gz YABSGEJNLHNBJT-HXUWFJFHSA-N 2 0 348.450 3.119 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025029221 1323833975 /nfs/dbraw/zinc/83/39/75/1323833975.db2.gz DZKDJEIGRCDVDH-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CCc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)c1 ZINC001025088141 1323887504 /nfs/dbraw/zinc/88/75/04/1323887504.db2.gz RENSENRHMRDRBH-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239862 1324032474 /nfs/dbraw/zinc/03/24/74/1324032474.db2.gz JQEQHJBEIAXMEO-RBUKOAKNSA-N 2 0 335.536 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025243744 1324040665 /nfs/dbraw/zinc/04/06/65/1324040665.db2.gz QNXBGPFFKZPPRF-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025250730 1324053362 /nfs/dbraw/zinc/05/33/62/1324053362.db2.gz DOCKTEXFQHQMIE-RTBURBONSA-N 2 0 340.471 3.203 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279651 1324101586 /nfs/dbraw/zinc/10/15/86/1324101586.db2.gz FVOYQWWGDWNHHV-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025517482 1324361769 /nfs/dbraw/zinc/36/17/69/1324361769.db2.gz ZXHYKTINFQAOIV-SJORKVTESA-N 2 0 347.503 3.138 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001025630762 1324483646 /nfs/dbraw/zinc/48/36/46/1324483646.db2.gz VRUTXLNJOJSGAQ-SJORKVTESA-N 2 0 349.519 3.360 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026464818 1324825355 /nfs/dbraw/zinc/82/53/55/1324825355.db2.gz XDKLPDJONSMQTD-ACBHZAAOSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026515689 1324861249 /nfs/dbraw/zinc/86/12/49/1324861249.db2.gz GIQUPPCVPZWHFP-ACBHZAAOSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cc(C[NH2+]C2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001026561298 1324896369 /nfs/dbraw/zinc/89/63/69/1324896369.db2.gz VASQPGMJTPISKK-NNGSBXSVSA-N 2 0 349.544 3.058 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000925113172 1325050226 /nfs/dbraw/zinc/05/02/26/1325050226.db2.gz IZOMPAXBVFGFNL-SNVBAGLBSA-N 2 0 335.250 3.240 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026887676 1325062551 /nfs/dbraw/zinc/06/25/51/1325062551.db2.gz SZHLOOYWSVLGOQ-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000925154627 1325067872 /nfs/dbraw/zinc/06/78/72/1325067872.db2.gz FZOOHSNEVZOHFZ-QRWLVFNGSA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000925216839 1325083844 /nfs/dbraw/zinc/08/38/44/1325083844.db2.gz LBEHUVTYVZWWGN-PMACEKPBSA-N 2 0 331.504 3.045 20 0 EGADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925227519 1325088187 /nfs/dbraw/zinc/08/81/87/1325088187.db2.gz USZDKZPSJSLGKT-ALIIGJLFSA-N 2 0 336.545 3.479 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963329225 1325113026 /nfs/dbraw/zinc/11/30/26/1325113026.db2.gz XCUKRQXJEBCKEV-MJGOQNOKSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000963332261 1325116937 /nfs/dbraw/zinc/11/69/37/1325116937.db2.gz WMHMMXRNZXOPAX-LMDPOFIKSA-N 2 0 349.563 3.409 20 0 EGADRP COc1ccnc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000925300217 1325117466 /nfs/dbraw/zinc/11/74/66/1325117466.db2.gz IWJUKSZQQMTVKU-HNNXBMFYSA-N 2 0 326.444 3.052 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)c1 ZINC000925477679 1325167230 /nfs/dbraw/zinc/16/72/30/1325167230.db2.gz LIACPNRYJKHAEH-WMQCIHAUSA-N 2 0 343.515 3.032 20 0 EGADRP c1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)OCCCO2 ZINC000925480286 1325168690 /nfs/dbraw/zinc/16/86/90/1325168690.db2.gz JHMLDDAKYGATFS-ZWKOTPCHSA-N 2 0 330.472 3.106 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925497599 1325177612 /nfs/dbraw/zinc/17/76/12/1325177612.db2.gz IFSCNPPXDMJQMA-FVQBIDKESA-N 2 0 339.405 3.144 20 0 EGADRP O=C1CCCN1c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925514499 1325185793 /nfs/dbraw/zinc/18/57/93/1325185793.db2.gz PJEOOLVMOYNFFP-UXHICEINSA-N 2 0 341.499 3.071 20 0 EGADRP CN(C)C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)Cc2ccccc2C1 ZINC000925518726 1325186584 /nfs/dbraw/zinc/18/65/84/1325186584.db2.gz GRYAIJBSMUVBMR-OAQYLSRUSA-N 2 0 337.511 3.155 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925558850 1325208438 /nfs/dbraw/zinc/20/84/38/1325208438.db2.gz RUOUZJZAFMCKRA-RHRKJHDUSA-N 2 0 345.918 3.061 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925559342 1325208588 /nfs/dbraw/zinc/20/85/88/1325208588.db2.gz TXVFDKRXYPQXLX-FHLIZLRMSA-N 2 0 333.907 3.334 20 0 EGADRP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000925559570 1325209039 /nfs/dbraw/zinc/20/90/39/1325209039.db2.gz WFSYJUYMVUJCFU-AABGKKOBSA-N 2 0 328.500 3.340 20 0 EGADRP COc1cc(NCC[NH2+]C2CC[NH+](CCC(C)C)CC2)cc(OC)c1 ZINC000925597073 1325227216 /nfs/dbraw/zinc/22/72/16/1325227216.db2.gz OEEOOJAVLNBMPC-UHFFFAOYSA-N 2 0 349.519 3.216 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027103942 1325228380 /nfs/dbraw/zinc/22/83/80/1325228380.db2.gz IWWMIURLEHBIIY-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001027105152 1325229806 /nfs/dbraw/zinc/22/98/06/1325229806.db2.gz GHNQSSKPAAPHFY-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc[nH+]1 ZINC000925613820 1325231601 /nfs/dbraw/zinc/23/16/01/1325231601.db2.gz FCWWCRRLQDHGET-RTWAWAEBSA-N 2 0 342.531 3.056 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H](C)n3ncnc32)C[N@H+]1Cc1ccccc1 ZINC000925616062 1325231941 /nfs/dbraw/zinc/23/19/41/1325231941.db2.gz QAYBOIKILCVYJU-KCITZHQASA-N 2 0 339.487 3.174 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000925634491 1325240709 /nfs/dbraw/zinc/24/07/09/1325240709.db2.gz KJAKNDIMKJKPAO-ZVBHREPYSA-N 2 0 330.472 3.006 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000963444225 1325250842 /nfs/dbraw/zinc/25/08/42/1325250842.db2.gz VRLLYJUIZIDMCA-OALUTQOASA-N 2 0 346.519 3.022 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ncco1 ZINC000925688979 1325262156 /nfs/dbraw/zinc/26/21/56/1325262156.db2.gz ICSZRLVPVXDMBU-INIZCTEOSA-N 2 0 329.444 3.043 20 0 EGADRP CCN(C(=O)C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925815300 1325313849 /nfs/dbraw/zinc/31/38/49/1325313849.db2.gz VXPGZMOQXGOCLW-LJQANCHMSA-N 2 0 325.456 3.109 20 0 EGADRP FC(F)C1CCC([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000925816997 1325314480 /nfs/dbraw/zinc/31/44/80/1325314480.db2.gz LGQVSRSUMWQGKS-UHFFFAOYSA-N 2 0 337.458 3.005 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000926202084 1325467932 /nfs/dbraw/zinc/46/79/32/1325467932.db2.gz REJSOZPYUWEHSA-CVEARBPZSA-N 2 0 329.488 3.418 20 0 EGADRP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000964015553 1325475991 /nfs/dbraw/zinc/47/59/91/1325475991.db2.gz URFRDKOIQNMFJZ-CTWPCTMYSA-N 2 0 337.552 3.265 20 0 EGADRP c1ccc(C[NH+]2CC[C@H](CN[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000926327576 1325518198 /nfs/dbraw/zinc/51/81/98/1325518198.db2.gz XWKHCVMPUKZLTR-NJYVYQBISA-N 2 0 327.516 3.115 20 0 EGADRP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)[C@@H](O)c1ccccc1 ZINC000926330128 1325518304 /nfs/dbraw/zinc/51/83/04/1325518304.db2.gz CWXBKZXIEDFFNO-VKQJQLINSA-N 2 0 346.515 3.120 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027409592 1327635573 /nfs/dbraw/zinc/63/55/73/1327635573.db2.gz LJMWLUBVXFFDBG-ZWKOTPCHSA-N 2 0 349.544 3.044 20 0 EGADRP Cc1cccc2c1[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000926679117 1327663674 /nfs/dbraw/zinc/66/36/74/1327663674.db2.gz WVQCJRXIRWBTEC-HXUWFJFHSA-N 2 0 328.500 3.463 20 0 EGADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926693686 1327670420 /nfs/dbraw/zinc/67/04/20/1327670420.db2.gz OBUHMAJWBJOJRT-SFTDATJTSA-N 2 0 345.531 3.215 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440561 1327679529 /nfs/dbraw/zinc/67/95/29/1327679529.db2.gz IOMVGJNQKUBRSZ-IEBWSBKVSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440560 1327680338 /nfs/dbraw/zinc/68/03/38/1327680338.db2.gz IOMVGJNQKUBRSZ-HKUYNNGSSA-N 2 0 343.515 3.155 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926718785 1327682137 /nfs/dbraw/zinc/68/21/37/1327682137.db2.gz NOKNZRQWGNFMSF-DOTOQJQBSA-N 2 0 331.504 3.046 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449630 1327689155 /nfs/dbraw/zinc/68/91/55/1327689155.db2.gz DZBSSWUGRGCYKG-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027471114 1327726927 /nfs/dbraw/zinc/72/69/27/1327726927.db2.gz WSFUUDWMDDNERH-IBGZPJMESA-N 2 0 349.563 3.362 20 0 EGADRP Cc1c(Br)cccc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000926909451 1327770471 /nfs/dbraw/zinc/77/04/71/1327770471.db2.gz CDNBEEXLASZJLP-DOMZBBRYSA-N 2 0 325.294 3.372 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001027575556 1327911941 /nfs/dbraw/zinc/91/19/41/1327911941.db2.gz BEEFMINTSITEDK-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966071921 1328169093 /nfs/dbraw/zinc/16/90/93/1328169093.db2.gz BRYCZUSSTNRVHW-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027878714 1328346120 /nfs/dbraw/zinc/34/61/20/1328346120.db2.gz HKTWAGILSKMBQV-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027971352 1328443728 /nfs/dbraw/zinc/44/37/28/1328443728.db2.gz FGYQBJHCVKQWOW-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCCC1CCC1)c1ccn2c[nH+]cc2c1 ZINC001028002765 1328464551 /nfs/dbraw/zinc/46/45/51/1328464551.db2.gz HZUFLQOPGMKLMY-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2cccc([C@H](O)C[NH2+]C)c2)cc1 ZINC000863692664 1329575501 /nfs/dbraw/zinc/57/55/01/1329575501.db2.gz YUKCIEVOJRUTIT-OAQYLSRUSA-N 2 0 342.483 3.327 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccnc2Br)CC1 ZINC000865718248 1329732105 /nfs/dbraw/zinc/73/21/05/1329732105.db2.gz WQNVWNAUIXCZBE-UHFFFAOYSA-N 2 0 340.309 3.444 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000865717921 1329732124 /nfs/dbraw/zinc/73/21/24/1329732124.db2.gz OVQVCXCAFFZTSW-UHFFFAOYSA-N 2 0 345.466 3.007 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)CC1(C)OCCO1 ZINC000866424192 1330109753 /nfs/dbraw/zinc/10/97/53/1330109753.db2.gz DINBPZMVLLANGT-JENIJYKNSA-N 2 0 338.536 3.408 20 0 EGADRP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000866661510 1330138801 /nfs/dbraw/zinc/13/88/01/1330138801.db2.gz RDXPVQFAHXMVPM-IBGZPJMESA-N 2 0 331.504 3.058 20 0 EGADRP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666814 1330139493 /nfs/dbraw/zinc/13/94/93/1330139493.db2.gz XOKNRERZWZHRSD-ARFHVFGLSA-N 2 0 349.906 3.297 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000866666270 1330139806 /nfs/dbraw/zinc/13/98/06/1330139806.db2.gz PAMMBAIQSPANGQ-IEBWSBKVSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)CC1(C)C ZINC000941186162 1331376456 /nfs/dbraw/zinc/37/64/56/1331376456.db2.gz DQWAMKYAEARQFC-GOSISDBHSA-N 2 0 346.519 3.058 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557362 1331971799 /nfs/dbraw/zinc/97/17/99/1331971799.db2.gz GGXILFIHCYETSO-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)C[C@@H]2C)CC1 ZINC000943757057 1332255513 /nfs/dbraw/zinc/25/55/13/1332255513.db2.gz ZYFSOTHFUXJFNH-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028564 1332481010 /nfs/dbraw/zinc/48/10/10/1332481010.db2.gz JQFOZHFEOWEQNE-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947309864 1333084415 /nfs/dbraw/zinc/08/44/15/1333084415.db2.gz IIXCNSLYPUFVRT-QZTJIDSGSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC000947310314 1333084570 /nfs/dbraw/zinc/08/45/70/1333084570.db2.gz PDLDBWKZQLGHLH-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1=CCCCC1 ZINC000947493216 1333146116 /nfs/dbraw/zinc/14/61/16/1333146116.db2.gz QNAOVXSSFZLMLE-PKOBYXMFSA-N 2 0 345.531 3.084 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC000947615263 1333193075 /nfs/dbraw/zinc/19/30/75/1333193075.db2.gz GZNZSMDEYIUHKO-HKUYNNGSSA-N 2 0 347.547 3.330 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615141 1333193492 /nfs/dbraw/zinc/19/34/92/1333193492.db2.gz FLLDDIRFUZGCPN-SJLPKXTDSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799763 1333265445 /nfs/dbraw/zinc/26/54/45/1333265445.db2.gz CORHQFOKDBZRQH-VQIMIIECSA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000948040859 1333349643 /nfs/dbraw/zinc/34/96/43/1333349643.db2.gz UXQRCRUJDNTIHK-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948066984 1333362262 /nfs/dbraw/zinc/36/22/62/1333362262.db2.gz SYHHBLMRBLUJDL-HKUYNNGSSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948066985 1333362509 /nfs/dbraw/zinc/36/25/09/1333362509.db2.gz SYHHBLMRBLUJDL-IEBWSBKVSA-N 2 0 343.515 3.297 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948077005 1333367039 /nfs/dbraw/zinc/36/70/39/1333367039.db2.gz AHQLWQSOGBVDAH-CVEARBPZSA-N 2 0 335.492 3.114 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948552784 1333571641 /nfs/dbraw/zinc/57/16/41/1333571641.db2.gz BLPMVERJZRHNBQ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948554221 1333573565 /nfs/dbraw/zinc/57/35/65/1333573565.db2.gz SFLIIUWKLVGXIF-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620846 1333599320 /nfs/dbraw/zinc/59/93/20/1333599320.db2.gz JLWCLSCQTUITPX-SJLPKXTDSA-N 2 0 342.487 3.307 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621633 1333600563 /nfs/dbraw/zinc/60/05/63/1333600563.db2.gz SJYTXKWCNJNPOP-QGZVFWFLSA-N 2 0 328.460 3.061 20 0 EGADRP CC1CC(C[N@@H+]2CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000948674243 1333624043 /nfs/dbraw/zinc/62/40/43/1333624043.db2.gz SFTZHMMQFDHVBG-CTWPCTMYSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726377 1333649094 /nfs/dbraw/zinc/64/90/94/1333649094.db2.gz PIFVQGXNTBGMRB-GOSISDBHSA-N 2 0 349.519 3.314 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000952407157 1334451215 /nfs/dbraw/zinc/45/12/15/1334451215.db2.gz QFZANCRZCJWJRX-IBGZPJMESA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417289 1335924553 /nfs/dbraw/zinc/92/45/53/1335924553.db2.gz FEFRCHAHGGFDBC-XLIONFOSSA-N 2 0 343.515 3.155 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968835538 1336063132 /nfs/dbraw/zinc/06/31/32/1336063132.db2.gz AOBWZGAZYASVDX-QGZVFWFLSA-N 2 0 349.544 3.194 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC(C)C ZINC000968882437 1336078874 /nfs/dbraw/zinc/07/88/74/1336078874.db2.gz NTTBHHBOCMSOHO-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968888270 1336080916 /nfs/dbraw/zinc/08/09/16/1336080916.db2.gz SBENWQCHUUHAKA-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCCCC2)CC1 ZINC000969013784 1336118809 /nfs/dbraw/zinc/11/88/09/1336118809.db2.gz GPRMIKQZPOUYIE-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000969152269 1336163995 /nfs/dbraw/zinc/16/39/95/1336163995.db2.gz JXVLPRMJBJIFDC-GOSISDBHSA-N 2 0 347.547 3.330 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC=C(C)C ZINC000969156245 1336165268 /nfs/dbraw/zinc/16/52/68/1336165268.db2.gz NYBCLMYLLWAIML-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000969156381 1336165641 /nfs/dbraw/zinc/16/56/41/1336165641.db2.gz RKCBZCZQCJJUJV-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000969156574 1336165857 /nfs/dbraw/zinc/16/58/57/1336165857.db2.gz WWXYQSIPZRFPOP-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000970792749 1336337789 /nfs/dbraw/zinc/33/77/89/1336337789.db2.gz UOAYPPQLZPOPPH-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503146 1336363270 /nfs/dbraw/zinc/36/32/70/1336363270.db2.gz IFABQWFXJMHQJE-PKOBYXMFSA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005773447 1336400568 /nfs/dbraw/zinc/40/05/68/1336400568.db2.gz QUIMMOOAJHWHNK-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006001471 1336435914 /nfs/dbraw/zinc/43/59/14/1336435914.db2.gz OBICSGRRJPSREO-PXNSSMCTSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001006408825 1336500727 /nfs/dbraw/zinc/50/07/27/1336500727.db2.gz VVAJELWEGCFWMH-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007457404 1336650511 /nfs/dbraw/zinc/65/05/11/1336650511.db2.gz MYASZKLLXDJABX-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001007496646 1336658149 /nfs/dbraw/zinc/65/81/49/1336658149.db2.gz QHMCATZYRIABIC-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007500338 1336658429 /nfs/dbraw/zinc/65/84/29/1336658429.db2.gz SHMLDWBUYKVZMQ-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007500142 1336658950 /nfs/dbraw/zinc/65/89/50/1336658950.db2.gz QYXIUDFYJJJUKO-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007723815 1336691128 /nfs/dbraw/zinc/69/11/28/1336691128.db2.gz QYOVRYGAUCYLQT-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007788570 1336700378 /nfs/dbraw/zinc/70/03/78/1336700378.db2.gz QEHLRFJQSCRMHI-LJQANCHMSA-N 2 0 345.531 3.086 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007797555 1336702646 /nfs/dbraw/zinc/70/26/46/1336702646.db2.gz BKUSSINGIWKPLX-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008052750 1336759304 /nfs/dbraw/zinc/75/93/04/1336759304.db2.gz OPITTXXHTLGBMR-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001008298536 1336817996 /nfs/dbraw/zinc/81/79/96/1336817996.db2.gz ITPRJBULZKAWRJ-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001008771716 1336924057 /nfs/dbraw/zinc/92/40/57/1336924057.db2.gz UZOXAWVJQKMMCK-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001009171660 1336981317 /nfs/dbraw/zinc/98/13/17/1336981317.db2.gz WXMAFAHQRRMJMF-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001009197260 1336985104 /nfs/dbraw/zinc/98/51/04/1336985104.db2.gz BVVSLZYYHZCMPG-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001009632969 1337049986 /nfs/dbraw/zinc/04/99/86/1337049986.db2.gz FVWHRNPVDRDAPH-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001009639623 1337050098 /nfs/dbraw/zinc/05/00/98/1337050098.db2.gz YSPWGKBEXWIJAU-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001009633952 1337050445 /nfs/dbraw/zinc/05/04/45/1337050445.db2.gz HJRWBTUDLRDNMW-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001014430059 1337776078 /nfs/dbraw/zinc/77/60/78/1337776078.db2.gz AGQDFUQHVKTEPL-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014627378 1337852277 /nfs/dbraw/zinc/85/22/77/1337852277.db2.gz HAWXIUZBPXLAJS-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014720293 1337882580 /nfs/dbraw/zinc/88/25/80/1337882580.db2.gz CRKFHIBQIOOEGQ-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)ccc2c[nH+]cn21 ZINC001015032640 1337997084 /nfs/dbraw/zinc/99/70/84/1337997084.db2.gz LZMSSDARADSEMM-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001015603452 1338204479 /nfs/dbraw/zinc/20/44/79/1338204479.db2.gz TUFHEJMAMVIBKP-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603734 1338204653 /nfs/dbraw/zinc/20/46/53/1338204653.db2.gz XIPQMYLQRKMPDL-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795812 1338315883 /nfs/dbraw/zinc/31/58/83/1338315883.db2.gz SRQQLLWHCGRKSO-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001015898252 1338352814 /nfs/dbraw/zinc/35/28/14/1338352814.db2.gz ACIZOSPWQPGWJH-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015977347 1338389864 /nfs/dbraw/zinc/38/98/64/1338389864.db2.gz UEMKLPJBTQSEMU-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623570 1338667958 /nfs/dbraw/zinc/66/79/58/1338667958.db2.gz FAFWDKZDBCVSID-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016642604 1338674322 /nfs/dbraw/zinc/67/43/22/1338674322.db2.gz FMEMFSXZBGCAKO-MRXNPFEDSA-N 2 0 349.544 3.194 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862483 1338751218 /nfs/dbraw/zinc/75/12/18/1338751218.db2.gz ZZWJYTVDSGARAT-OALUTQOASA-N 2 0 347.547 3.186 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016982761 1338791793 /nfs/dbraw/zinc/79/17/93/1338791793.db2.gz LEUGEDUJUBMBGH-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017143735 1338894654 /nfs/dbraw/zinc/89/46/54/1338894654.db2.gz YWRMFLFLSSQBHY-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH+](C)CC3CCCCC3)C2)C1 ZINC001017209563 1338955744 /nfs/dbraw/zinc/95/57/44/1338955744.db2.gz QJAWYTHMIQINAN-AZUAARDMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018064949 1339493729 /nfs/dbraw/zinc/49/37/29/1339493729.db2.gz LTWXRMPGISVCJM-FFZOFVMBSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093643 1340421245 /nfs/dbraw/zinc/42/12/45/1340421245.db2.gz MWFWXGDYNOOHGT-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCCCC2)CC1 ZINC001028115223 1340436823 /nfs/dbraw/zinc/43/68/23/1340436823.db2.gz ANTWPFUREIGOEN-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccsc1 ZINC001028181110 1340470846 /nfs/dbraw/zinc/47/08/46/1340470846.db2.gz NTEWTMWJFZGFRC-MSOLQXFVSA-N 2 0 349.544 3.092 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001028251652 1340512442 /nfs/dbraw/zinc/51/24/42/1340512442.db2.gz IUXOFOICUTZGQP-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028845812 1340857608 /nfs/dbraw/zinc/85/76/08/1340857608.db2.gz QONOVXWFIBZQHN-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108194 1340931640 /nfs/dbraw/zinc/93/16/40/1340931640.db2.gz XXLZWLSWZYVDDR-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001029132927 1340938925 /nfs/dbraw/zinc/93/89/25/1340938925.db2.gz BXQGASRIBKQTNZ-VQIMIIECSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001029460446 1340995674 /nfs/dbraw/zinc/99/56/74/1340995674.db2.gz VDBZEPITGLPDNT-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001029473048 1340998155 /nfs/dbraw/zinc/99/81/55/1340998155.db2.gz BFTIIMIZNSXLAP-YSIASYRMSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001029742210 1341059742 /nfs/dbraw/zinc/05/97/42/1341059742.db2.gz NTDMHCZTQFFTCE-YZGWKJHDSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1)CC1CCCCC1 ZINC001029759020 1341064668 /nfs/dbraw/zinc/06/46/68/1341064668.db2.gz JNYDWPUIVSTWJV-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029861543 1341099058 /nfs/dbraw/zinc/09/90/58/1341099058.db2.gz PPSBFUYPVCOQMW-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029909990 1341113300 /nfs/dbraw/zinc/11/33/00/1341113300.db2.gz UTVDGKXFFPKDBD-FQEVSTJZSA-N 2 0 347.547 3.143 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C[N@@H+](C)CC3=CCCCC3)CC2)CCC1 ZINC001029970286 1341139106 /nfs/dbraw/zinc/13/91/06/1341139106.db2.gz SYPLIXDMJNGKPW-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001029973399 1341140244 /nfs/dbraw/zinc/14/02/44/1341140244.db2.gz AHRNASHDUCBBHN-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1 ZINC001029977002 1341141580 /nfs/dbraw/zinc/14/15/80/1341141580.db2.gz POCSKRZGGRQYNU-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001032118968 1341458624 /nfs/dbraw/zinc/45/86/24/1341458624.db2.gz CCXWTFZZIAMJAE-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(CC)CC)C1 ZINC001032119160 1341458629 /nfs/dbraw/zinc/45/86/29/1341458629.db2.gz HOFNTBWUSHGLBV-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001032205635 1341472887 /nfs/dbraw/zinc/47/28/87/1341472887.db2.gz DGMUHHOYAFGULJ-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001032478327 1341519690 /nfs/dbraw/zinc/51/96/90/1341519690.db2.gz BHAFFZBYGFHAID-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032488933 1341522894 /nfs/dbraw/zinc/52/28/94/1341522894.db2.gz QSDRLOKPJGGPRA-OALUTQOASA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032838185 1341630985 /nfs/dbraw/zinc/63/09/85/1341630985.db2.gz XUWBLSLQWMRYTQ-PWIZWCRZSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033145567 1341738818 /nfs/dbraw/zinc/73/88/18/1341738818.db2.gz IEOFKDHVYUZPOP-MOPGFXCFSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033145835 1341738878 /nfs/dbraw/zinc/73/88/78/1341738878.db2.gz KRFOQXOMIVNUGL-ROUUACIJSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366436 1341798607 /nfs/dbraw/zinc/79/86/07/1341798607.db2.gz XJZCIYOYPPIRGO-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656563 1341932544 /nfs/dbraw/zinc/93/25/44/1341932544.db2.gz CDFYRGSJQKCEES-QAPCUYQASA-N 2 0 349.906 3.030 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033826389 1342027603 /nfs/dbraw/zinc/02/76/03/1342027603.db2.gz PJVFWYZLTLHPAJ-OALUTQOASA-N 2 0 349.563 3.218 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033837642 1342035597 /nfs/dbraw/zinc/03/55/97/1342035597.db2.gz TXUVCWHJRXZPMB-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012463 1342148772 /nfs/dbraw/zinc/14/87/72/1342148772.db2.gz OZUFVZLIXFEQCM-PXNSSMCTSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001034037772 1342176896 /nfs/dbraw/zinc/17/68/96/1342176896.db2.gz FGWUGCAVOJHTQH-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001034040360 1342180761 /nfs/dbraw/zinc/18/07/61/1342180761.db2.gz SSBGCMVBRHAWKT-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001034046888 1342186447 /nfs/dbraw/zinc/18/64/47/1342186447.db2.gz VVASSCKNHNFYDU-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001075942093 1356451833 /nfs/dbraw/zinc/45/18/33/1356451833.db2.gz UHXXUCAATQWGRE-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034132962 1342262274 /nfs/dbraw/zinc/26/22/74/1342262274.db2.gz VPNPHAFRZZMPET-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034202736 1342313175 /nfs/dbraw/zinc/31/31/75/1342313175.db2.gz ANKSNTRSKHSTJM-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034271516 1342361769 /nfs/dbraw/zinc/36/17/69/1342361769.db2.gz OITRPVWWMQBUTP-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001034362946 1342434603 /nfs/dbraw/zinc/43/46/03/1342434603.db2.gz KCXAHCWCHZENCP-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034367103 1342437159 /nfs/dbraw/zinc/43/71/59/1342437159.db2.gz DACHGEDESXIDKU-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC=C(C)C)C2)C1 ZINC001034367964 1342437480 /nfs/dbraw/zinc/43/74/80/1342437480.db2.gz ITWXUYJIYGQSBV-RTBURBONSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034395441 1342463631 /nfs/dbraw/zinc/46/36/31/1342463631.db2.gz ZHQCFOOHUQPPIK-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCC3)C2)C1 ZINC001034396431 1342464441 /nfs/dbraw/zinc/46/44/41/1342464441.db2.gz FQGGFJYPBKBJFA-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001034398209 1342466302 /nfs/dbraw/zinc/46/63/02/1342466302.db2.gz NLCWNUYHOPIKKX-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001034471416 1342525513 /nfs/dbraw/zinc/52/55/13/1342525513.db2.gz CEXSBBGRUCMJQK-AFMYVXGZSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479227 1342536523 /nfs/dbraw/zinc/53/65/23/1342536523.db2.gz UZVGDMASFHDYEF-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034480784 1342537145 /nfs/dbraw/zinc/53/71/45/1342537145.db2.gz NQUAAJVVJSFAPN-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034480782 1342537493 /nfs/dbraw/zinc/53/74/93/1342537493.db2.gz NQUAAJVVJSFAPN-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034526736 1342582740 /nfs/dbraw/zinc/58/27/40/1342582740.db2.gz AIOORSYEDKOGHH-QUCCMNQESA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538040 1342595461 /nfs/dbraw/zinc/59/54/61/1342595461.db2.gz PYSCOFKHPDOAQJ-OALUTQOASA-N 2 0 349.494 3.081 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543949 1342604659 /nfs/dbraw/zinc/60/46/59/1342604659.db2.gz NNMCCPNYPLHROP-GOSISDBHSA-N 2 0 331.504 3.133 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001034690466 1342693732 /nfs/dbraw/zinc/69/37/32/1342693732.db2.gz SWKQWYHEDRZGDG-IYARVYRRSA-N 2 0 340.471 3.155 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001034721951 1342716121 /nfs/dbraw/zinc/71/61/21/1342716121.db2.gz SHBZYNHGCBJDKF-NSISKUIASA-N 2 0 343.515 3.106 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001034792201 1342761311 /nfs/dbraw/zinc/76/13/11/1342761311.db2.gz ALIYYGRHIQUFTR-MISYRCLQSA-N 2 0 343.515 3.169 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001034795751 1342762142 /nfs/dbraw/zinc/76/21/42/1342762142.db2.gz REWBGUZRTBNERP-IYARVYRRSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034796926 1342763115 /nfs/dbraw/zinc/76/31/15/1342763115.db2.gz RJFNNEFMTSWBDV-CAMMJAKZSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001034817158 1342780962 /nfs/dbraw/zinc/78/09/62/1342780962.db2.gz VSPCRRQEYODXEN-HXUWFJFHSA-N 2 0 343.515 3.208 20 0 EGADRP Cc1c(C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)ccc2c[nH+]cn21 ZINC001034819609 1342781984 /nfs/dbraw/zinc/78/19/84/1342781984.db2.gz XFURFSKANNOVHC-UHFFFAOYSA-N 2 0 348.450 3.072 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034959060 1342853781 /nfs/dbraw/zinc/85/37/81/1342853781.db2.gz QBLAWKOHJCTMCZ-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001035011492 1342874999 /nfs/dbraw/zinc/87/49/99/1342874999.db2.gz YXYSBDGOZASASP-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035024955 1342884180 /nfs/dbraw/zinc/88/41/80/1342884180.db2.gz YDZZPFTYDOMIPL-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001078811938 1357094149 /nfs/dbraw/zinc/09/41/49/1357094149.db2.gz BKFQWXMJDLQNGE-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)[NH+](C)C ZINC001035039631 1342892878 /nfs/dbraw/zinc/89/28/78/1342892878.db2.gz HDJXMSVTCWLHQP-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001078813278 1357094619 /nfs/dbraw/zinc/09/46/19/1357094619.db2.gz YJZHGZABYAUGEN-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819882 1357100138 /nfs/dbraw/zinc/10/01/38/1357100138.db2.gz SZWJCIMJRFZNDO-OALUTQOASA-N 2 0 343.515 3.035 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256551 1343082096 /nfs/dbraw/zinc/08/20/96/1343082096.db2.gz ISOABRLQBGKMLX-KDURUIRLSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035707651 1343144132 /nfs/dbraw/zinc/14/41/32/1343144132.db2.gz PQFBIFPFWDSTNI-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+]([C@@H](C)c3ccccc3)C2)CC1)[NH+](C)C ZINC001035731440 1343157547 /nfs/dbraw/zinc/15/75/47/1343157547.db2.gz FKQXWMPDXRBZSH-PKOBYXMFSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CCCCCC3)C2)CC1)[NH+](C)C ZINC001035797166 1343203735 /nfs/dbraw/zinc/20/37/35/1343203735.db2.gz VJYWDPGNMUTDBH-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810880 1343210653 /nfs/dbraw/zinc/21/06/53/1343210653.db2.gz UIRYZFNVNRBTOE-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035837172 1343220483 /nfs/dbraw/zinc/22/04/83/1343220483.db2.gz QNNKJZDCQCTLEU-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036310540 1343412687 /nfs/dbraw/zinc/41/26/87/1343412687.db2.gz KEBJRUWBEBHCCT-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CC3CCC3)C2)CC1 ZINC001036453077 1343495872 /nfs/dbraw/zinc/49/58/72/1343495872.db2.gz CNDZZDXWZWESSN-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036556724 1343552576 /nfs/dbraw/zinc/55/25/76/1343552576.db2.gz QQDQVAYEZPLZPI-LPHOPBHVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036574311 1343560768 /nfs/dbraw/zinc/56/07/68/1343560768.db2.gz JQFICMURXIINIV-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717093 1343649103 /nfs/dbraw/zinc/64/91/03/1343649103.db2.gz PRRIFKYQVLGTJZ-RBUKOAKNSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717424 1343649372 /nfs/dbraw/zinc/64/93/72/1343649372.db2.gz VRUMTEYKNNMVTQ-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755267 1343677540 /nfs/dbraw/zinc/67/75/40/1343677540.db2.gz TWJCGUNLUJGBKA-HKUYNNGSSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833108 1343772085 /nfs/dbraw/zinc/77/20/85/1343772085.db2.gz OJIPRGONSFFMHB-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC(C)(C)C)C2)CC1 ZINC001036854703 1343789170 /nfs/dbraw/zinc/78/91/70/1343789170.db2.gz POHRRYVZSRFEHU-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001037078389 1343970890 /nfs/dbraw/zinc/97/08/90/1343970890.db2.gz IZLJACGOFIUECH-RBUKOAKNSA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001037201990 1344038423 /nfs/dbraw/zinc/03/84/23/1344038423.db2.gz DGJLAUAYQXSOKG-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)c1ccn2c[nH+]cc2c1 ZINC001037205188 1344040580 /nfs/dbraw/zinc/04/05/80/1344040580.db2.gz YIKDVTUDLTXYSA-IEBWSBKVSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001037212461 1344046018 /nfs/dbraw/zinc/04/60/18/1344046018.db2.gz MGGRWODWUAWPIP-NVXWUHKLSA-N 2 0 349.544 3.098 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CC2)cc1 ZINC001037236790 1344059984 /nfs/dbraw/zinc/05/99/84/1344059984.db2.gz SVIYDACUXVICIE-WOJBJXKFSA-N 2 0 343.515 3.036 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1[NH2+]C(C)C ZINC001037924549 1344184520 /nfs/dbraw/zinc/18/45/20/1344184520.db2.gz IMRMYVJFJPKQBY-UYAOXDASSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038240987 1344338634 /nfs/dbraw/zinc/33/86/34/1344338634.db2.gz RWSDWVBYLRUFDW-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038240989 1344339719 /nfs/dbraw/zinc/33/97/19/1344339719.db2.gz RWSDWVBYLRUFDW-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCC1=CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038519590 1344463102 /nfs/dbraw/zinc/46/31/02/1344463102.db2.gz LRFXZCZBYFPMDJ-LJQANCHMSA-N 2 0 338.455 3.029 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521439 1344463974 /nfs/dbraw/zinc/46/39/74/1344463974.db2.gz XSLIBQADLLUYDT-PMACEKPBSA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038780708 1344582646 /nfs/dbraw/zinc/58/26/46/1344582646.db2.gz MVTURGOCEGBNIY-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC2=CCCCC2)CC1 ZINC001038874107 1344623236 /nfs/dbraw/zinc/62/32/36/1344623236.db2.gz YWBFNZGNZSIOQV-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038908414 1344645790 /nfs/dbraw/zinc/64/57/90/1344645790.db2.gz JYJQMKMQVKZXIL-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001039126466 1344802376 /nfs/dbraw/zinc/80/23/76/1344802376.db2.gz LGYONCMXMPPBGV-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168278 1344855793 /nfs/dbraw/zinc/85/57/93/1344855793.db2.gz SJLQZABGPIBEKW-FQEVSTJZSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173170 1344862933 /nfs/dbraw/zinc/86/29/33/1344862933.db2.gz PQOPUSGBMFMKAN-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039183161 1344880819 /nfs/dbraw/zinc/88/08/19/1344880819.db2.gz WYIKNBUHIHBMJA-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040264111 1345402328 /nfs/dbraw/zinc/40/23/28/1345402328.db2.gz LSFQPYDBPLPIMO-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040701730 1345567795 /nfs/dbraw/zinc/56/77/95/1345567795.db2.gz OLNJWVSESIGIBS-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357156 1345708733 /nfs/dbraw/zinc/70/87/33/1345708733.db2.gz FGFCHSZYYKHUMD-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC001041599170 1345788334 /nfs/dbraw/zinc/78/83/34/1345788334.db2.gz FYPGKZXFMMIKFP-BBTUJRGHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725505 1345832549 /nfs/dbraw/zinc/83/25/49/1345832549.db2.gz NSYGXGLPBSIEQH-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042254250 1346007132 /nfs/dbraw/zinc/00/71/32/1346007132.db2.gz JOOODYQSCWDYJO-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC001042725607 1346110351 /nfs/dbraw/zinc/11/03/51/1346110351.db2.gz XIXUNJIITUUCHK-QGZVFWFLSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044733039 1346415666 /nfs/dbraw/zinc/41/56/66/1346415666.db2.gz PLRUDIWMCSANQH-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC001044807187 1346431601 /nfs/dbraw/zinc/43/16/01/1346431601.db2.gz IBKAGLOVQYDMFG-FXAWDEMLSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC001044807201 1346431676 /nfs/dbraw/zinc/43/16/76/1346431676.db2.gz IBKAGLOVQYDMFG-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857435 1346446917 /nfs/dbraw/zinc/44/69/17/1346446917.db2.gz JOMDLHLJGDFSLW-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044879268 1346452983 /nfs/dbraw/zinc/45/29/83/1346452983.db2.gz OPXOFPXCKKAWBU-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045068791 1346489268 /nfs/dbraw/zinc/48/92/68/1346489268.db2.gz RAUYDWWDQAQPKZ-PMACEKPBSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001045067220 1346489430 /nfs/dbraw/zinc/48/94/30/1346489430.db2.gz ISLHBTJXOSFHKS-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001045229532 1346536228 /nfs/dbraw/zinc/53/62/28/1346536228.db2.gz OKWCJMDZLNTPCN-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+]2CCCCC2)CC1 ZINC001045322082 1346559782 /nfs/dbraw/zinc/55/97/82/1346559782.db2.gz APNMFRGDJOXXHF-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045385815 1346579992 /nfs/dbraw/zinc/57/99/92/1346579992.db2.gz YBUCLRBLUXTUEM-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438398 1346594156 /nfs/dbraw/zinc/59/41/56/1346594156.db2.gz SCOKCEWYEYHQCZ-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045475802 1346602990 /nfs/dbraw/zinc/60/29/90/1346602990.db2.gz RAGCHAQWEOIFSR-QZTJIDSGSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001045505038 1346612340 /nfs/dbraw/zinc/61/23/40/1346612340.db2.gz SQTVAKIDOZSGIR-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045584546 1346637034 /nfs/dbraw/zinc/63/70/34/1346637034.db2.gz GQPLIAASORDSDL-MOPGFXCFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001045780506 1346696619 /nfs/dbraw/zinc/69/66/19/1346696619.db2.gz PWLNEYICSVXUAH-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045789871 1346699208 /nfs/dbraw/zinc/69/92/08/1346699208.db2.gz XEOFYCVBOVSNDD-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001045792896 1346699803 /nfs/dbraw/zinc/69/98/03/1346699803.db2.gz IRXHNWQUZCUQSC-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001045802872 1346702246 /nfs/dbraw/zinc/70/22/46/1346702246.db2.gz VVPKLBOCYBKVSF-HSALFYBXSA-N 2 0 347.547 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001045832884 1346713880 /nfs/dbraw/zinc/71/38/80/1346713880.db2.gz FUDIBVOHHNOOHW-ZCNNSNEGSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001045849732 1346720796 /nfs/dbraw/zinc/72/07/96/1346720796.db2.gz VVPKLBOCYBKVSF-AABGKKOBSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001045858273 1346723025 /nfs/dbraw/zinc/72/30/25/1346723025.db2.gz HLHCRVALCAUCHO-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045895861 1346736846 /nfs/dbraw/zinc/73/68/46/1346736846.db2.gz QZVOOXMIYGEISD-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001045896045 1346736869 /nfs/dbraw/zinc/73/68/69/1346736869.db2.gz SZGKPIZCFJGUCO-UXHICEINSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045944780 1346780972 /nfs/dbraw/zinc/78/09/72/1346780972.db2.gz IFHQEUYUVAFEJE-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)[NH+](C)C ZINC001045945651 1346781488 /nfs/dbraw/zinc/78/14/88/1346781488.db2.gz WFFPAYUPQOPHTK-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)[NH+](C)C ZINC001045964963 1346800625 /nfs/dbraw/zinc/80/06/25/1346800625.db2.gz QRIDTWHWNYDMMS-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045965866 1346801352 /nfs/dbraw/zinc/80/13/52/1346801352.db2.gz WSELGMAUQCSOCG-TZIWHRDSSA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974056 1346810387 /nfs/dbraw/zinc/81/03/87/1346810387.db2.gz XCSRWLYRUWWXJX-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319828 1346933666 /nfs/dbraw/zinc/93/36/66/1346933666.db2.gz XCMRJTAJGNEMDM-NQIIRXRSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001046330045 1346936155 /nfs/dbraw/zinc/93/61/55/1346936155.db2.gz FCNJJFAIVBRCOK-ZVDOUQERSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449877 1346977855 /nfs/dbraw/zinc/97/78/55/1346977855.db2.gz MYCVFPKBPWXVDF-IERDGZPVSA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001046739866 1347078056 /nfs/dbraw/zinc/07/80/56/1347078056.db2.gz XKEKYAVBDBRNSF-NRFANRHFSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047242540 1347268943 /nfs/dbraw/zinc/26/89/43/1347268943.db2.gz UVRQYHHJIVOHMK-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC3CCC3)CC2)C1)[NH+](C)C ZINC001047243374 1347269101 /nfs/dbraw/zinc/26/91/01/1347269101.db2.gz KVBMQAFVPBNDGM-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047253746 1347277598 /nfs/dbraw/zinc/27/75/98/1347277598.db2.gz HUMDACBMRMITFX-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047256329 1347279578 /nfs/dbraw/zinc/27/95/78/1347279578.db2.gz JBDLRVLDZFVHMV-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266177 1347286861 /nfs/dbraw/zinc/28/68/61/1347286861.db2.gz SAQJMOYWHOOVEC-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079687735 1357348789 /nfs/dbraw/zinc/34/87/89/1357348789.db2.gz UTRCGZXVIPVPSZ-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047862038 1347392964 /nfs/dbraw/zinc/39/29/64/1347392964.db2.gz KHZCIDYZDPREIQ-GOEBONIOSA-N 2 0 349.544 3.050 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048526253 1347578228 /nfs/dbraw/zinc/57/82/28/1347578228.db2.gz LFZUPKUHRGSMAB-YRPNKDGESA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048573879 1347600279 /nfs/dbraw/zinc/60/02/79/1347600279.db2.gz HEAQNMZOSBZAAU-KNJMJIDISA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048607184 1347616720 /nfs/dbraw/zinc/61/67/20/1347616720.db2.gz PZHYKNCQRYXXQK-UFYCRDLUSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001048622422 1347622347 /nfs/dbraw/zinc/62/23/47/1347622347.db2.gz FTPSZIBFDJFSPR-UAFMIMERSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1=CCCCC1 ZINC001049370511 1347808299 /nfs/dbraw/zinc/80/82/99/1347808299.db2.gz VYBQTEZKAXDCHY-VAMGGRTRSA-N 2 0 345.531 3.036 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482466 1347869936 /nfs/dbraw/zinc/86/99/36/1347869936.db2.gz NKXLVBMAQIACMH-NMLBUPMWSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535845 1347896676 /nfs/dbraw/zinc/89/66/76/1347896676.db2.gz KJXUILOATCFFEZ-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049551845 1347905369 /nfs/dbraw/zinc/90/53/69/1347905369.db2.gz JGFQTXNZTMZMFH-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP CC[NH2+][C@H](C)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001050265760 1348223350 /nfs/dbraw/zinc/22/33/50/1348223350.db2.gz RJIZBJATKHSSQF-CQSZACIVSA-N 2 0 336.439 3.243 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001079850606 1357400565 /nfs/dbraw/zinc/40/05/65/1357400565.db2.gz PEYHZCLJVMJINK-AHRSYUTCSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001079850951 1357400645 /nfs/dbraw/zinc/40/06/45/1357400645.db2.gz WFFDVPNOPCHMCP-BHIYHBOVSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052378225 1348535956 /nfs/dbraw/zinc/53/59/56/1348535956.db2.gz UPMOZKYRIQEMTN-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513935 1348563698 /nfs/dbraw/zinc/56/36/98/1348563698.db2.gz KZOJXNCNDFWVIS-INIZCTEOSA-N 2 0 328.460 3.027 20 0 EGADRP CC1(C)CC(C[N@@H+]2CCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001052528903 1348567245 /nfs/dbraw/zinc/56/72/45/1348567245.db2.gz NYJCBKDAFIRFBM-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590539 1348588922 /nfs/dbraw/zinc/58/89/22/1348588922.db2.gz CINAYNQOPQZETH-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620675 1348598184 /nfs/dbraw/zinc/59/81/84/1348598184.db2.gz RCSRCRXSKCKXBZ-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCC3)CC2)C1 ZINC001052651349 1348613507 /nfs/dbraw/zinc/61/35/07/1348613507.db2.gz GNOONDWCJKVGBG-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052712960 1348644912 /nfs/dbraw/zinc/64/49/12/1348644912.db2.gz QGOXRMHUCGREDU-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001052938172 1348756283 /nfs/dbraw/zinc/75/62/83/1348756283.db2.gz SKEOVXJFYMUWJA-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937576 1348756475 /nfs/dbraw/zinc/75/64/75/1348756475.db2.gz MAXPFYVRBYCUHV-QUCCMNQESA-N 2 0 343.515 3.123 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001052938445 1348756825 /nfs/dbraw/zinc/75/68/25/1348756825.db2.gz XWQXYWSFMHXVJX-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)CC2)c1 ZINC001052954159 1348768496 /nfs/dbraw/zinc/76/84/96/1348768496.db2.gz LVDDZWQJIMYPCA-YPHWWSSASA-N 2 0 349.906 3.085 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052957815 1348770471 /nfs/dbraw/zinc/77/04/71/1348770471.db2.gz JHCQOAJMIFOCCH-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038974 1348840304 /nfs/dbraw/zinc/84/03/04/1348840304.db2.gz BLKHCBZJCWJDAR-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044571 1348845729 /nfs/dbraw/zinc/84/57/29/1348845729.db2.gz QEBMWTSLCKFQIZ-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107356 1348946530 /nfs/dbraw/zinc/94/65/30/1348946530.db2.gz FWKLYXCQSKMHDR-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001054296314 1349301515 /nfs/dbraw/zinc/30/15/15/1349301515.db2.gz YTBJXYDLLWDBBJ-MDZRGWNJSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054724936 1349447794 /nfs/dbraw/zinc/44/77/94/1349447794.db2.gz ABSBTRWMSYWMGU-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442448 1357622371 /nfs/dbraw/zinc/62/23/71/1357622371.db2.gz AJDXANNVGBWNIQ-ZHALLVOQSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554605 1357676756 /nfs/dbraw/zinc/67/67/56/1357676756.db2.gz XOUZEBJRFUJWRA-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001183137660 1387267639 /nfs/dbraw/zinc/26/76/39/1387267639.db2.gz BBJFWTJIRTYNFG-SLYNCCJLSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071896243 1355011623 /nfs/dbraw/zinc/01/16/23/1355011623.db2.gz FGSQPFDIUOPQLG-APWZRJJASA-N 2 0 331.504 3.131 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CC1CCCCCC1 ZINC001071996259 1355065883 /nfs/dbraw/zinc/06/58/83/1355065883.db2.gz PRHKOZXPQVLDEL-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCC1CCCCC1 ZINC001072081867 1355119385 /nfs/dbraw/zinc/11/93/85/1355119385.db2.gz UDOVMHJPHLWFLD-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1CC1CCC1 ZINC001072099511 1355130257 /nfs/dbraw/zinc/13/02/57/1355130257.db2.gz SBQOYZRMFCTRFS-APWZRJJASA-N 2 0 343.515 3.131 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001072851270 1355464708 /nfs/dbraw/zinc/46/47/08/1355464708.db2.gz PVROBHVQUODUDJ-RBUKOAKNSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C)[NH+](C)C ZINC001074710893 1356227918 /nfs/dbraw/zinc/22/79/18/1356227918.db2.gz JXWQKOVYXLMLTO-RYQLBKOJSA-N 2 0 337.552 3.122 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074824848 1356256521 /nfs/dbraw/zinc/25/65/21/1356256521.db2.gz ZKLGGRSZFWJARV-IHPCNDPISA-N 2 0 347.547 3.188 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183256549 1387287201 /nfs/dbraw/zinc/28/72/01/1387287201.db2.gz YTSQRMGRIOKWRS-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078746172 1357070388 /nfs/dbraw/zinc/07/03/88/1357070388.db2.gz IOOONJSQWLLWRU-MOPGFXCFSA-N 2 0 343.515 3.035 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001080998508 1357776839 /nfs/dbraw/zinc/77/68/39/1357776839.db2.gz AWQCAZIWAPVGCN-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082544431 1358057079 /nfs/dbraw/zinc/05/70/79/1358057079.db2.gz CLFSQJINENFTGT-MISYRCLQSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001082698721 1358077928 /nfs/dbraw/zinc/07/79/28/1358077928.db2.gz XMVVAHLYNBHLGH-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCC(C)(C)C)C[C@H]32)C1 ZINC001084599284 1358253802 /nfs/dbraw/zinc/25/38/02/1358253802.db2.gz XNQOINPAKXGKBF-GUDVDZBRSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)cc1 ZINC001085365035 1358479104 /nfs/dbraw/zinc/47/91/04/1358479104.db2.gz DSPAWAJTGVSVNA-WOJBJXKFSA-N 2 0 343.515 3.179 20 0 EGADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085437002 1358499868 /nfs/dbraw/zinc/49/98/68/1358499868.db2.gz MSCOBJFDPKFFJQ-IAGOWNOFSA-N 2 0 335.492 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085593141 1358620242 /nfs/dbraw/zinc/62/02/42/1358620242.db2.gz CGFQPSMYLIMFHG-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085629000 1358646725 /nfs/dbraw/zinc/64/67/25/1358646725.db2.gz JMYLREFEWFRGRF-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687319 1358688028 /nfs/dbraw/zinc/68/80/28/1358688028.db2.gz MSGFTVOYFMIUOP-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2=CCCCC2)C1 ZINC001085778807 1358753112 /nfs/dbraw/zinc/75/31/12/1358753112.db2.gz HYUWYVGOENFONL-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085778609 1358753886 /nfs/dbraw/zinc/75/38/86/1358753886.db2.gz CLYJOHZAXMDOLQ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798800 1358773802 /nfs/dbraw/zinc/77/38/02/1358773802.db2.gz AYJLLUNHZYXACQ-PMACEKPBSA-N 2 0 343.515 3.012 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798885 1358774630 /nfs/dbraw/zinc/77/46/30/1358774630.db2.gz CUSPZTQQSAJOLM-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856171 1358823764 /nfs/dbraw/zinc/82/37/64/1358823764.db2.gz SRTDQHOFSCWSLW-RTBURBONSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001086090415 1358993283 /nfs/dbraw/zinc/99/32/83/1358993283.db2.gz YTGKCUXWQKQLNN-OQIJWPOYSA-N 2 0 349.563 3.027 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001086122815 1359002857 /nfs/dbraw/zinc/00/28/57/1359002857.db2.gz ZECLESJSAFSQRG-OJAHFUOMSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001086243487 1359040198 /nfs/dbraw/zinc/04/01/98/1359040198.db2.gz LOSOFHZOVBVXPY-UWUNEBHHSA-N 2 0 349.563 3.027 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086253657 1359042984 /nfs/dbraw/zinc/04/29/84/1359042984.db2.gz PPQIKAGLMOWDGI-HAGHYFMRSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001086457104 1359102595 /nfs/dbraw/zinc/10/25/95/1359102595.db2.gz KFEWMKPBBBGADS-LEAZDLGRSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086460240 1359103984 /nfs/dbraw/zinc/10/39/84/1359103984.db2.gz NMJSCWWDPRYSLC-SAABIXHNSA-N 2 0 347.503 3.020 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001183991573 1387379204 /nfs/dbraw/zinc/37/92/04/1387379204.db2.gz LMFSKEWAADVTFZ-SLYNCCJLSA-N 2 0 330.516 3.237 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001086759242 1359195928 /nfs/dbraw/zinc/19/59/28/1359195928.db2.gz VPECTWNZGMTGGF-FUHWJXTLSA-N 2 0 340.471 3.013 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087175046 1359313407 /nfs/dbraw/zinc/31/34/07/1359313407.db2.gz SPFCEPQTUYCIHL-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087569718 1359535559 /nfs/dbraw/zinc/53/55/59/1359535559.db2.gz JOSQBRHVGSTWIL-IPMKNSEASA-N 2 0 349.563 3.265 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC[N@@H+]1CC1CCCC1 ZINC001087598805 1359549301 /nfs/dbraw/zinc/54/93/01/1359549301.db2.gz ZUNQJTPQCSSPQI-HSALFYBXSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087684834 1359588712 /nfs/dbraw/zinc/58/87/12/1359588712.db2.gz QTSXAXDMEASUHY-ZWKOTPCHSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087725616 1359613168 /nfs/dbraw/zinc/61/31/68/1359613168.db2.gz WTEFDRCERIOJCY-YSIASYRMSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC=C(C)C ZINC001087762678 1359632543 /nfs/dbraw/zinc/63/25/43/1359632543.db2.gz HQASPSABJVWQGK-VQTJNVASSA-N 2 0 343.515 3.297 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCC(C)(C)C ZINC001087773940 1359636802 /nfs/dbraw/zinc/63/68/02/1359636802.db2.gz QBLIFGQDZRHMSQ-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212724 1359797790 /nfs/dbraw/zinc/79/77/90/1359797790.db2.gz LCLLTCQWMCFCNZ-AABGKKOBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088323762 1359830736 /nfs/dbraw/zinc/83/07/36/1359830736.db2.gz YDHSJLJOJRZEDN-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001088356611 1359840829 /nfs/dbraw/zinc/84/08/29/1359840829.db2.gz FYTXSNQRZKKYJF-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CN(C)c1ncccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001323664265 1387420429 /nfs/dbraw/zinc/42/04/29/1387420429.db2.gz KPFLOGAAAPYLJN-UHFFFAOYSA-N 2 0 338.499 3.149 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088381999 1359865241 /nfs/dbraw/zinc/86/52/41/1359865241.db2.gz ROQBCEGZNJGFTM-QUCCMNQESA-N 2 0 347.547 3.189 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C[C@@H]1C ZINC001184272446 1387421981 /nfs/dbraw/zinc/42/19/81/1387421981.db2.gz FYDYKCPZQWIMJZ-ZBKUBXTQSA-N 2 0 346.519 3.163 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413118 1359884319 /nfs/dbraw/zinc/88/43/19/1359884319.db2.gz YQCHCQBNTRPMNE-FPOVZHCZSA-N 2 0 345.531 3.234 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431367 1359898784 /nfs/dbraw/zinc/89/87/84/1359898784.db2.gz RMPBDDAJFRUWMP-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569447 1359976270 /nfs/dbraw/zinc/97/62/70/1359976270.db2.gz UJOAFOZXQZJFMX-HBFSDRIKSA-N 2 0 347.547 3.186 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088604989 1359989324 /nfs/dbraw/zinc/98/93/24/1359989324.db2.gz BWDBPRHEYLNLQI-NEWSRXKRSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088692915 1360013771 /nfs/dbraw/zinc/01/37/71/1360013771.db2.gz CYEBTLCFNHQSBR-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccc2c[nH+]cn21 ZINC001088688384 1360013856 /nfs/dbraw/zinc/01/38/56/1360013856.db2.gz ISCPGPPZXMCIOX-UZLBHIALSA-N 2 0 348.450 3.036 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCCC1CCC1 ZINC001088710258 1360018014 /nfs/dbraw/zinc/01/80/14/1360018014.db2.gz DNEWPCHGJBXUEC-BEFAXECRSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001088768871 1360037035 /nfs/dbraw/zinc/03/70/35/1360037035.db2.gz IFMRYNUKBSLCFN-LSTHTHJFSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769899 1360037352 /nfs/dbraw/zinc/03/73/52/1360037352.db2.gz MDNFMPKKTGHILE-HLIPFELVSA-N 2 0 345.531 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCC2)C1 ZINC001089218183 1360262751 /nfs/dbraw/zinc/26/27/51/1360262751.db2.gz WSXXXTOOVRAHOP-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401305 1360400797 /nfs/dbraw/zinc/40/07/97/1360400797.db2.gz RRRZCXRCYIQZLW-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401310 1360400893 /nfs/dbraw/zinc/40/08/93/1360400893.db2.gz RRRZCXRCYIQZLW-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407479 1360406008 /nfs/dbraw/zinc/40/60/08/1360406008.db2.gz ZYKNVVZEBWUQKB-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445395 1360434402 /nfs/dbraw/zinc/43/44/02/1360434402.db2.gz HSWKZBQFVBIQRY-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC)CC(C)(C)C2)C1 ZINC001089472205 1360455650 /nfs/dbraw/zinc/45/56/50/1360455650.db2.gz DPYKHMRLBJCINI-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510335 1360481554 /nfs/dbraw/zinc/48/15/54/1360481554.db2.gz RIDPSHCJZUTBNT-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001089694133 1360599143 /nfs/dbraw/zinc/59/91/43/1360599143.db2.gz SXRIWGKIWNBWJT-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001323833353 1387468826 /nfs/dbraw/zinc/46/88/26/1387468826.db2.gz XESQUXUDMPXJKZ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091267429 1361026800 /nfs/dbraw/zinc/02/68/00/1361026800.db2.gz KOLGEXFZRIMWJL-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754147 1361212558 /nfs/dbraw/zinc/21/25/58/1361212558.db2.gz GEJWTIQRAVHMDT-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)CCCC1 ZINC001184629315 1387501444 /nfs/dbraw/zinc/50/14/44/1387501444.db2.gz WKCIQRPOFYQXQG-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092508393 1361400978 /nfs/dbraw/zinc/40/09/78/1361400978.db2.gz ZMDMNZKRNKZNKD-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001184710987 1387516063 /nfs/dbraw/zinc/51/60/63/1387516063.db2.gz AUBXVNZYIQNRGV-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907472 1361484475 /nfs/dbraw/zinc/48/44/75/1361484475.db2.gz OBRFTEBULHBWGB-QWFCFKBJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C[NH2+]CCC(C)(C)C ZINC001184722425 1387520358 /nfs/dbraw/zinc/52/03/58/1387520358.db2.gz BSOKHCSQCTXKJV-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184712304 1387517075 /nfs/dbraw/zinc/51/70/75/1387517075.db2.gz LVWHCUMQBKGODO-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001093225907 1361552418 /nfs/dbraw/zinc/55/24/18/1361552418.db2.gz UHSTTZIRNFLRQI-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H]2[N@H+](CC(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093379617 1361590449 /nfs/dbraw/zinc/59/04/49/1361590449.db2.gz DRAUWTIWKLYGKW-RBUKOAKNSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001094557347 1361858479 /nfs/dbraw/zinc/85/84/79/1361858479.db2.gz TZXUBSMWFOWRLH-QKNQBKEWSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)CC[N@@H+]1C ZINC001095438763 1362140932 /nfs/dbraw/zinc/14/09/32/1362140932.db2.gz HTQISHXDBNYTDO-XLSIIYIISA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001095498750 1362157298 /nfs/dbraw/zinc/15/72/98/1362157298.db2.gz CPOZOEFGYBDFFJ-XWSJACJDSA-N 2 0 347.547 3.019 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001184936103 1387565597 /nfs/dbraw/zinc/56/55/97/1387565597.db2.gz ZKLXISLXFQSEOT-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001096012158 1362334112 /nfs/dbraw/zinc/33/41/12/1362334112.db2.gz NUELPHXHERMOSH-LMCOJAPRSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096100913 1362382984 /nfs/dbraw/zinc/38/29/84/1362382984.db2.gz JVVZCTJQMGUXRQ-RNQOJCNYSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176556 1362416139 /nfs/dbraw/zinc/41/61/39/1362416139.db2.gz ZINDPHUGSUPPRM-XCLNPWKQSA-N 2 0 343.515 3.129 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001324262497 1387574196 /nfs/dbraw/zinc/57/41/96/1387574196.db2.gz GEERSVOLJUBYSN-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313348 1362460488 /nfs/dbraw/zinc/46/04/88/1362460488.db2.gz CKSLWOUHRZTRBJ-YDZRNGNQSA-N 2 0 335.536 3.163 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185054292 1387601447 /nfs/dbraw/zinc/60/14/47/1387601447.db2.gz YNUYQWGZPKPWSN-IRXDYDNUSA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCC2)CC1 ZINC001098137678 1363231224 /nfs/dbraw/zinc/23/12/24/1363231224.db2.gz QXXILSLCCXGTRI-AQNXPRMDSA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098191267 1363250192 /nfs/dbraw/zinc/25/01/92/1363250192.db2.gz CKSLWOUHRZTRBJ-AKHDSKFASA-N 2 0 335.536 3.163 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098191268 1363250407 /nfs/dbraw/zinc/25/04/07/1363250407.db2.gz CKSLWOUHRZTRBJ-YRXWBPOGSA-N 2 0 335.536 3.163 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185119192 1387622778 /nfs/dbraw/zinc/62/27/78/1387622778.db2.gz AJPREPZKTGHSRN-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP CCC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098825861 1363483242 /nfs/dbraw/zinc/48/32/42/1363483242.db2.gz HSPWIVJLVNFBEE-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185171479 1387632240 /nfs/dbraw/zinc/63/22/40/1387632240.db2.gz WHWOQAHMOZFPPE-RJCMGOLDSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CC1)C2)[NH+]1CCCCCC1 ZINC001099059985 1363600291 /nfs/dbraw/zinc/60/02/91/1363600291.db2.gz SSDYUHORFHYZFF-CUWPLCDZSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001099075157 1363609587 /nfs/dbraw/zinc/60/95/87/1363609587.db2.gz VINQZFUNNMYEAU-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110812 1363629089 /nfs/dbraw/zinc/62/90/89/1363629089.db2.gz JIHNVSBJYRWGDV-SFHVURJKSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099198861 1363687814 /nfs/dbraw/zinc/68/78/14/1363687814.db2.gz GRQIZDYUQFCZNJ-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099198428 1363688130 /nfs/dbraw/zinc/68/81/30/1363688130.db2.gz AQPANSUHLFZNMX-DVBCCOPCSA-N 2 0 337.552 3.291 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099234531 1363705253 /nfs/dbraw/zinc/70/52/53/1363705253.db2.gz JUNHSJMREQBNBI-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234020 1363705638 /nfs/dbraw/zinc/70/56/38/1363705638.db2.gz GBTODHPGSHLPED-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099235141 1363706651 /nfs/dbraw/zinc/70/66/51/1363706651.db2.gz POZIWVUXWVIYCP-LXORQPIJSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099297411 1363736916 /nfs/dbraw/zinc/73/69/16/1363736916.db2.gz GDDDVWMIMQRYAL-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099311138 1363744728 /nfs/dbraw/zinc/74/47/28/1363744728.db2.gz YIYAZYIINWAJLW-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321228 1363749023 /nfs/dbraw/zinc/74/90/23/1363749023.db2.gz RFHDLXMQHSOXHZ-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099335505 1363757329 /nfs/dbraw/zinc/75/73/29/1363757329.db2.gz WWJQVHNWPCLBJK-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099338820 1363758731 /nfs/dbraw/zinc/75/87/31/1363758731.db2.gz ATCWZPXKMVPZBB-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001099495764 1363820476 /nfs/dbraw/zinc/82/04/76/1363820476.db2.gz CKBQBUQVTHWSKQ-VJANTYMQSA-N 2 0 349.563 3.076 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2CC(CNC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001100404432 1364103455 /nfs/dbraw/zinc/10/34/55/1364103455.db2.gz AYGLULNWLTUSTE-MUYFXNHWSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100405679 1364103554 /nfs/dbraw/zinc/10/35/54/1364103554.db2.gz IMGMLDSHLPLGHU-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100459841 1364122294 /nfs/dbraw/zinc/12/22/94/1364122294.db2.gz AELHCPMBPSUBBB-UHFFFAOYSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468677 1364125574 /nfs/dbraw/zinc/12/55/74/1364125574.db2.gz JSCAEGYYTQPIES-KLAILNCOSA-N 2 0 337.552 3.170 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)C1 ZINC001100599194 1364182904 /nfs/dbraw/zinc/18/29/04/1364182904.db2.gz OJQAIYLFQBZXFO-ADKAHSJRSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100601911 1364184620 /nfs/dbraw/zinc/18/46/20/1364184620.db2.gz KCHCJPRNEZDQCW-AFMYVXGZSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001324545563 1387665633 /nfs/dbraw/zinc/66/56/33/1387665633.db2.gz QBYURTZPZIJOIN-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729972 1364238093 /nfs/dbraw/zinc/23/80/93/1364238093.db2.gz YHGSXPWHWLWBBW-CTWPCTMYSA-N 2 0 337.552 3.170 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001100756769 1364247891 /nfs/dbraw/zinc/24/78/91/1364247891.db2.gz MWIPYLOYKAEFOC-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC[C@H]([NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1)c1ccc(F)cc1 ZINC001100770301 1364253512 /nfs/dbraw/zinc/25/35/12/1364253512.db2.gz ANKBTJKKYLGSAN-PPSBMQLTSA-N 2 0 349.494 3.103 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001100770695 1364253523 /nfs/dbraw/zinc/25/35/23/1364253523.db2.gz KBLDQSLLTKCLLA-VIQWUECVSA-N 2 0 345.531 3.191 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001100815398 1364275687 /nfs/dbraw/zinc/27/56/87/1364275687.db2.gz XGKNZMOWRKHHBZ-SREVYHEPSA-N 2 0 349.563 3.338 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2CC(CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001100887486 1364312976 /nfs/dbraw/zinc/31/29/76/1364312976.db2.gz FFGNDHZRUPDWOC-PGYGNJIDSA-N 2 0 345.531 3.272 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101476178 1364575735 /nfs/dbraw/zinc/57/57/35/1364575735.db2.gz GYKJOMMSHOJGSF-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101522058 1364596973 /nfs/dbraw/zinc/59/69/73/1364596973.db2.gz LCLWOCKHPGDRKO-RURPWVQCSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101540603 1364606841 /nfs/dbraw/zinc/60/68/41/1364606841.db2.gz LCWGMYPYJIVGTN-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541407 1364607457 /nfs/dbraw/zinc/60/74/57/1364607457.db2.gz DHGFRJVAHVHRDX-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185348108 1387689932 /nfs/dbraw/zinc/68/99/32/1387689932.db2.gz NULVWFDLKHIANC-XFIQWEIDSA-N 2 0 337.552 3.149 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001101547451 1364611516 /nfs/dbraw/zinc/61/15/16/1364611516.db2.gz BIBZZRFPJDUWRF-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185348105 1387690026 /nfs/dbraw/zinc/69/00/26/1387690026.db2.gz NULVWFDLKHIANC-COQIJWMOSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001101574779 1364628997 /nfs/dbraw/zinc/62/89/97/1364628997.db2.gz CTDIUCHZCJDIEW-GOSISDBHSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101590490 1364641119 /nfs/dbraw/zinc/64/11/19/1364641119.db2.gz UOUXBAOAOIAKHA-GOSISDBHSA-N 2 0 349.563 3.149 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021357 1364813502 /nfs/dbraw/zinc/81/35/02/1364813502.db2.gz MXPFSFWNNUPQHT-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044968 1364821995 /nfs/dbraw/zinc/82/19/95/1364821995.db2.gz MEQIYTXYPGCGNH-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294064 1364988043 /nfs/dbraw/zinc/98/80/43/1364988043.db2.gz GIEBFKUJCZXENT-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430355 1365050910 /nfs/dbraw/zinc/05/09/10/1365050910.db2.gz NPYHHDPGAAECRA-HPFJUIBNSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102598853 1365130437 /nfs/dbraw/zinc/13/04/37/1365130437.db2.gz CVXPGYQPFMRLOE-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103004905 1365334365 /nfs/dbraw/zinc/33/43/65/1365334365.db2.gz FKQUTGXAZPLHDW-CCUKAZOQSA-N 2 0 349.563 3.147 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001185550591 1387745822 /nfs/dbraw/zinc/74/58/22/1387745822.db2.gz VKHYXDOKJDHWLN-OALUTQOASA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001185550163 1387746041 /nfs/dbraw/zinc/74/60/41/1387746041.db2.gz STLQUCDBMPTMSS-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435915 1365558633 /nfs/dbraw/zinc/55/86/33/1365558633.db2.gz DIPBPQIFAJVALX-AHYCVCGYSA-N 2 0 349.563 3.149 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751477 1365763886 /nfs/dbraw/zinc/76/38/86/1365763886.db2.gz AIFRBZOUZWBETF-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103756890 1365766785 /nfs/dbraw/zinc/76/67/85/1365766785.db2.gz FFOVJADEXJBBDD-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001104194666 1365947160 /nfs/dbraw/zinc/94/71/60/1365947160.db2.gz RCVMRTAWPYPTEA-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104310751 1365979274 /nfs/dbraw/zinc/97/92/74/1365979274.db2.gz GSSSEISCRVFUKQ-HPFJUIBNSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355009 1365983953 /nfs/dbraw/zinc/98/39/53/1365983953.db2.gz JWLVPSXGJYJGMD-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001324817311 1387782819 /nfs/dbraw/zinc/78/28/19/1387782819.db2.gz FTUZMJJHIIWGGX-PZJWPPBQSA-N 2 0 345.531 3.308 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185741488 1387787932 /nfs/dbraw/zinc/78/79/32/1387787932.db2.gz MVRZOPVDRQYBFR-XLIONFOSSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104923872 1366225935 /nfs/dbraw/zinc/22/59/35/1366225935.db2.gz ANGXPKPRMMSKRK-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001105063861 1366302374 /nfs/dbraw/zinc/30/23/74/1366302374.db2.gz KEJLQRKJMQYOFL-QZTJIDSGSA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542522 1366520700 /nfs/dbraw/zinc/52/07/00/1366520700.db2.gz XAMFXDJJYBYTSU-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC=C(C)C)CCC1)[NH+](C)C ZINC001105544601 1366521483 /nfs/dbraw/zinc/52/14/83/1366521483.db2.gz ODSPOZGYBNFBAP-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCC1 ZINC001105549845 1366525565 /nfs/dbraw/zinc/52/55/65/1366525565.db2.gz WHUDVPJODJHOMW-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105558478 1366530117 /nfs/dbraw/zinc/53/01/17/1366530117.db2.gz AZUHOMKGIXNZGB-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105558622 1366530273 /nfs/dbraw/zinc/53/02/73/1366530273.db2.gz CHRVJBOWZOTCPL-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105575263 1366540454 /nfs/dbraw/zinc/54/04/54/1366540454.db2.gz WUDXTMJEGSXFFM-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105576563 1366541091 /nfs/dbraw/zinc/54/10/91/1366541091.db2.gz HVXKQKRYWJZFIT-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577678 1366542181 /nfs/dbraw/zinc/54/21/81/1366542181.db2.gz YJAZIKCHOJQRSQ-MOPGFXCFSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574407 1366741363 /nfs/dbraw/zinc/74/13/63/1366741363.db2.gz IBBFJAJAMAVNMS-GGPKGHCWSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574328 1366741400 /nfs/dbraw/zinc/74/14/00/1366741400.db2.gz HKZDLSVPWZGMCP-GGPKGHCWSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574329 1366741457 /nfs/dbraw/zinc/74/14/57/1366741457.db2.gz HKZDLSVPWZGMCP-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001106673362 1366770490 /nfs/dbraw/zinc/77/04/90/1366770490.db2.gz WKTXZHPNYMRGFM-IEBWSBKVSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729741 1366783139 /nfs/dbraw/zinc/78/31/39/1366783139.db2.gz XNLJQEABENDMCH-AHSYYPKJSA-N 2 0 349.563 3.290 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825550 1366809155 /nfs/dbraw/zinc/80/91/55/1366809155.db2.gz XJOYOWIGRFRZQZ-CWHLKURSSA-N 2 0 349.563 3.147 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106860049 1366818317 /nfs/dbraw/zinc/81/83/17/1366818317.db2.gz GNXWUQBBIRDTQG-VAMGGRTRSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001107030616 1366861219 /nfs/dbraw/zinc/86/12/19/1366861219.db2.gz ORSVMXKIKLPNHA-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037559 1366862608 /nfs/dbraw/zinc/86/26/08/1366862608.db2.gz RKJGNBAJAAQGOM-AQNXPRMDSA-N 2 0 349.563 3.147 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328994 1366930056 /nfs/dbraw/zinc/93/00/56/1366930056.db2.gz DTBXDMLFAGSGRQ-IAOFLLFISA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2)[NH+](CC)CC ZINC001107543955 1367035726 /nfs/dbraw/zinc/03/57/26/1367035726.db2.gz FVNKBUFWCIBFOH-QKNQBKEWSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)C)CC2 ZINC001107583073 1367057615 /nfs/dbraw/zinc/05/76/15/1367057615.db2.gz OGIYAHDIXAJBSG-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652130 1367095056 /nfs/dbraw/zinc/09/50/56/1367095056.db2.gz DBCLJZQNSGDHCZ-TZIWHRDSSA-N 2 0 349.563 3.413 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428136 1367116013 /nfs/dbraw/zinc/11/60/13/1367116013.db2.gz OTEUBKTVYFEMJH-HTRGGXFCSA-N 2 0 335.536 3.041 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1 ZINC001109463918 1367138069 /nfs/dbraw/zinc/13/80/69/1367138069.db2.gz CUCHYTNYKGAKSY-NQYYFHDYSA-N 2 0 343.515 3.199 20 0 EGADRP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109472131 1367143379 /nfs/dbraw/zinc/14/33/79/1367143379.db2.gz YGKDYKLSELFESZ-QYZOEREBSA-N 2 0 347.547 3.327 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471905 1367143959 /nfs/dbraw/zinc/14/39/59/1367143959.db2.gz OEWRGJOXTOCCSD-NQYYFHDYSA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485183 1367152707 /nfs/dbraw/zinc/15/27/07/1367152707.db2.gz OKEOPFJBPLBJOR-RDGPPVDQSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178139 1367192941 /nfs/dbraw/zinc/19/29/41/1367192941.db2.gz TXOKFQSUZHUSDT-UYAOXDASSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324208 1367227052 /nfs/dbraw/zinc/22/70/52/1367227052.db2.gz IOPPGLHXQPUORR-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652692 1367265737 /nfs/dbraw/zinc/26/57/37/1367265737.db2.gz FKKGVYWYDYQMRB-JYBIWHBTSA-N 2 0 343.515 3.119 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190443152 1367267900 /nfs/dbraw/zinc/26/79/00/1367267900.db2.gz FITHUFZPVQGFFT-DLBZAZTESA-N 2 0 343.531 3.025 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481618 1367274810 /nfs/dbraw/zinc/27/48/10/1367274810.db2.gz YBVDBFYVBGNGQJ-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714575 1367289630 /nfs/dbraw/zinc/28/96/30/1367289630.db2.gz PEBMBCSELYLKGK-RDLJDDSDSA-N 2 0 335.536 3.185 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109719068 1367291860 /nfs/dbraw/zinc/29/18/60/1367291860.db2.gz TVDPWELPIPIXPV-MHORFTMASA-N 2 0 335.536 3.019 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C)CC(C)(C)C ZINC001109724211 1367293418 /nfs/dbraw/zinc/29/34/18/1367293418.db2.gz HPPAHLOKPDMDDW-IKGGRYGDSA-N 2 0 337.552 3.122 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656853 1367320604 /nfs/dbraw/zinc/32/06/04/1367320604.db2.gz WXWBFZNFHLKVPL-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890569 1367375878 /nfs/dbraw/zinc/37/58/78/1367375878.db2.gz SPKRMDUUMDZKIL-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001190997118 1367399080 /nfs/dbraw/zinc/39/90/80/1367399080.db2.gz QZSWHINDFPPEAD-SJLPKXTDSA-N 2 0 331.504 3.011 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061892 1367414594 /nfs/dbraw/zinc/41/45/94/1367414594.db2.gz NGKXOVOXUPWHLB-SFHVURJKSA-N 2 0 337.552 3.218 20 0 EGADRP Cc1c(C(=O)N2CC[C@@H]([N@@H+](C)CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001191079982 1367419382 /nfs/dbraw/zinc/41/93/82/1367419382.db2.gz CRQNDSQXUOXOMS-GOSISDBHSA-N 2 0 342.487 3.225 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191137248 1367430062 /nfs/dbraw/zinc/43/00/62/1367430062.db2.gz VKJFDZMNMISMGX-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115177 1367507655 /nfs/dbraw/zinc/50/76/55/1367507655.db2.gz RCWROUYEGPQIII-HBPFPQFOSA-N 2 0 347.547 3.330 20 0 EGADRP CC1CC(C[N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001191551375 1367526063 /nfs/dbraw/zinc/52/60/63/1367526063.db2.gz KUVJHLMHJHOPNU-QLOJAFMTSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001110158834 1367531656 /nfs/dbraw/zinc/53/16/56/1367531656.db2.gz VRDHSFBKZADOLB-FYQPLNBISA-N 2 0 347.547 3.019 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108766502 1367582434 /nfs/dbraw/zinc/58/24/34/1367582434.db2.gz ZEUISVZFQHDBIN-FHWLQOOXSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108800705 1367603852 /nfs/dbraw/zinc/60/38/52/1367603852.db2.gz LNNGBCSZWJPZDT-CXLTZZKYSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191921352 1367639935 /nfs/dbraw/zinc/63/99/35/1367639935.db2.gz ARNPMZAVWUEVQU-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946865 1367646186 /nfs/dbraw/zinc/64/61/86/1367646186.db2.gz FSTLPHCVKKKLGT-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+](C)CCC3CCCCCC3)C2)CC1 ZINC001192017060 1367665386 /nfs/dbraw/zinc/66/53/86/1367665386.db2.gz NRPCQVQZIQYZDA-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001192317696 1367748648 /nfs/dbraw/zinc/74/86/48/1367748648.db2.gz ULZHHRHMQVPHEY-RTBURBONSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001192326873 1367754293 /nfs/dbraw/zinc/75/42/93/1367754293.db2.gz UBGYHVSQIKIDTB-ZWKOTPCHSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680413 1367848042 /nfs/dbraw/zinc/84/80/42/1367848042.db2.gz QHRYIKDUZWBVHW-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947081 1367908925 /nfs/dbraw/zinc/90/89/25/1367908925.db2.gz HLEVZGSYRBFWBO-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110736547 1367954308 /nfs/dbraw/zinc/95/43/08/1367954308.db2.gz BWHLEMNYADIAKG-FYGUHAFLSA-N 2 0 335.536 3.185 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771434 1367971633 /nfs/dbraw/zinc/97/16/33/1367971633.db2.gz RQMVCWJWMMHDBE-YOOHZWDDSA-N 2 0 338.455 3.026 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)CC)C2)cc1 ZINC001193291209 1367990465 /nfs/dbraw/zinc/99/04/65/1367990465.db2.gz FYNXZTKWMJDEGU-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423464 1368025155 /nfs/dbraw/zinc/02/51/55/1368025155.db2.gz ACZPWBXTWVOQMO-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862539 1368041626 /nfs/dbraw/zinc/04/16/26/1368041626.db2.gz VBAAESSCWFBZBB-AXTJNSDUSA-N 2 0 347.547 3.329 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559011 1368060677 /nfs/dbraw/zinc/06/06/77/1368060677.db2.gz GOCMNQQIQYVRHS-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558961 1368061297 /nfs/dbraw/zinc/06/12/97/1368061297.db2.gz FVWLLIXCRXLSJD-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193559809 1368061355 /nfs/dbraw/zinc/06/13/55/1368061355.db2.gz MCWYREKJYYNGPU-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)C)C1 ZINC001110934629 1368104539 /nfs/dbraw/zinc/10/45/39/1368104539.db2.gz JQJYDZIWUKOLDE-NMLBUPMWSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934376 1368104845 /nfs/dbraw/zinc/10/48/45/1368104845.db2.gz BDSMAYKUYQPUOL-NMLBUPMWSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001110961025 1368125625 /nfs/dbraw/zinc/12/56/25/1368125625.db2.gz OWHQTHCIJUVIKB-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001110994314 1368137621 /nfs/dbraw/zinc/13/76/21/1368137621.db2.gz XWDXQPUNHXGUDK-YSTOQKLRSA-N 2 0 347.547 3.185 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018277 1368144573 /nfs/dbraw/zinc/14/45/73/1368144573.db2.gz PEBMBCSELYLKGK-RCQJJXNJSA-N 2 0 335.536 3.185 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Oc1ccc(Cl)cc1 ZINC001194047785 1368173951 /nfs/dbraw/zinc/17/39/51/1368173951.db2.gz AFADAXFWCDVZIA-UHFFFAOYSA-N 2 0 341.883 3.044 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164392 1368174450 /nfs/dbraw/zinc/17/44/50/1368174450.db2.gz XMKUYCPUPIKGNW-YRXWBPOGSA-N 2 0 337.552 3.265 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180600 1368181739 /nfs/dbraw/zinc/18/17/39/1368181739.db2.gz FGGDKTJZJLGHCC-BNLAEDIXSA-N 2 0 347.547 3.186 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245736 1368216050 /nfs/dbraw/zinc/21/60/50/1368216050.db2.gz DAECTDURVACEIS-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245528 1368216483 /nfs/dbraw/zinc/21/64/83/1368216483.db2.gz BVNKFMFDJPZSQM-SFFCAUCYSA-N 2 0 335.536 3.142 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246735 1368216931 /nfs/dbraw/zinc/21/69/31/1368216931.db2.gz QNXLGRVCIWDPDY-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCC[NH3+] ZINC001325272800 1387926607 /nfs/dbraw/zinc/92/66/07/1387926607.db2.gz NIRFBISMBAPDJL-UHFFFAOYSA-N 2 0 327.259 3.316 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001194275368 1368223004 /nfs/dbraw/zinc/22/30/04/1368223004.db2.gz SAVODAOCCNEZHE-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001194284808 1368223964 /nfs/dbraw/zinc/22/39/64/1368223964.db2.gz OFDIZCYEKSPFGW-FQEVSTJZSA-N 2 0 345.531 3.012 20 0 EGADRP CC(C)c1ccc(C[NH+](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001194284723 1368224794 /nfs/dbraw/zinc/22/47/94/1368224794.db2.gz MNSDQRQOUMBECY-HXUWFJFHSA-N 2 0 345.531 3.183 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001111296768 1368256534 /nfs/dbraw/zinc/25/65/34/1368256534.db2.gz VTMIKBZULMYYNC-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419904 1368257773 /nfs/dbraw/zinc/25/77/73/1368257773.db2.gz KRFXZPRUHCZYNI-HXUWFJFHSA-N 2 0 347.547 3.286 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429520 1368259542 /nfs/dbraw/zinc/25/95/42/1368259542.db2.gz KBLJAKOOIUHUMO-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429107 1368259738 /nfs/dbraw/zinc/25/97/38/1368259738.db2.gz FJAPDSCYFHHQLB-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001186412819 1387937348 /nfs/dbraw/zinc/93/73/48/1387937348.db2.gz SLTKTAQZNCGJNR-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@H]3CC[NH+](Cc4ccccc4)[C@H]3C2)C1 ZINC001195334908 1368422604 /nfs/dbraw/zinc/42/26/04/1368422604.db2.gz YLROJKSVDUNTHZ-KIZRIRGWSA-N 2 0 341.543 3.171 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111753169 1368444116 /nfs/dbraw/zinc/44/41/16/1368444116.db2.gz FTAPRAFYRYAMAS-JWOJILNUSA-N 2 0 347.547 3.044 20 0 EGADRP Fc1ccc(OCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001195534834 1368450889 /nfs/dbraw/zinc/45/08/89/1368450889.db2.gz GCFKAEALKRFZOZ-UHFFFAOYSA-N 2 0 349.837 3.465 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785803 1368490339 /nfs/dbraw/zinc/49/03/39/1368490339.db2.gz VYLYZXUYRMCTTL-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2)[NH+](C)C ZINC001111875104 1368521531 /nfs/dbraw/zinc/52/15/31/1368521531.db2.gz RLRPUKDJDFCKFK-ZJOUEHCJSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CC(C)(C)C1)C2 ZINC001111947743 1368570407 /nfs/dbraw/zinc/57/04/07/1368570407.db2.gz YMDXLEXYMGEFQO-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949292 1368571419 /nfs/dbraw/zinc/57/14/19/1368571419.db2.gz XGCXFKKGRVIPHJ-OIDOJQHXSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@H+](CCCC(C)C)CC1)[NH+](CC)CC ZINC001197141956 1368753392 /nfs/dbraw/zinc/75/33/92/1368753392.db2.gz QQVHILKOELKDQG-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396736 1368805834 /nfs/dbraw/zinc/80/58/34/1368805834.db2.gz MFGWQKPLYFIYLZ-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396834 1368805912 /nfs/dbraw/zinc/80/59/12/1368805912.db2.gz QKGVQDJGCGJJMQ-UVEXCMSLSA-N 2 0 347.547 3.284 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197492172 1368825371 /nfs/dbraw/zinc/82/53/71/1368825371.db2.gz NOGGNPILHXRJSM-UHFFFAOYSA-N 2 0 345.531 3.186 20 0 EGADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCc1nsc2ccccc21 ZINC001197930281 1368926016 /nfs/dbraw/zinc/92/60/16/1368926016.db2.gz PHWJGVADOZXWCM-HNNXBMFYSA-N 2 0 338.480 3.445 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112585822 1368937861 /nfs/dbraw/zinc/93/78/61/1368937861.db2.gz SMQXNENAKNNLIU-ZVDOUQERSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605204 1387983785 /nfs/dbraw/zinc/98/37/85/1387983785.db2.gz LMGIBSRYIOVLRE-GOSISDBHSA-N 2 0 337.552 3.076 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCCCC1 ZINC001113155329 1369232237 /nfs/dbraw/zinc/23/22/37/1369232237.db2.gz PICVHKVURNGJDD-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP Cn1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC001200151441 1369321226 /nfs/dbraw/zinc/32/12/26/1369321226.db2.gz GXKGWNHTTJVQQN-UHFFFAOYSA-N 2 0 332.879 3.075 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC1 ZINC001200345619 1369351694 /nfs/dbraw/zinc/35/16/94/1369351694.db2.gz INKQSDAZCGBJMJ-ZDUSSCGKSA-N 2 0 342.314 3.252 20 0 EGADRP CC[C@@H](C(=O)N1CC[NH+](CC2CCCCCC2)CC1)[NH+](CC)CC ZINC001113340984 1369359168 /nfs/dbraw/zinc/35/91/68/1369359168.db2.gz HFJYGNNBCNGVFA-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001200894064 1369445401 /nfs/dbraw/zinc/44/54/01/1369445401.db2.gz KSUMICMUULEHCK-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CCc1ccccc1C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201320931 1369519097 /nfs/dbraw/zinc/51/90/97/1369519097.db2.gz BYCUZCHQPBEDKE-UHFFFAOYSA-N 2 0 345.531 3.060 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CC(C)C)CC2 ZINC001201467932 1369550306 /nfs/dbraw/zinc/55/03/06/1369550306.db2.gz BUDZVXURFCGLJQ-INIZCTEOSA-N 2 0 337.533 3.102 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201610320 1369588900 /nfs/dbraw/zinc/58/89/00/1369588900.db2.gz NJOOZVQJBYNGSL-PLNGDYQASA-N 2 0 340.471 3.275 20 0 EGADRP Cc1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC001201634793 1369593580 /nfs/dbraw/zinc/59/35/80/1369593580.db2.gz SEURAJWHFKJFGU-GOSISDBHSA-N 2 0 345.512 3.006 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccnc(Cl)c3Cl)cc[nH+]2)CC1 ZINC001201651631 1369597072 /nfs/dbraw/zinc/59/70/72/1369597072.db2.gz YUVOAGZISBZQRW-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP COc1cccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1Cl ZINC001201665809 1369600218 /nfs/dbraw/zinc/60/02/18/1369600218.db2.gz JCJCFYBWYYWGIN-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001201707231 1369609076 /nfs/dbraw/zinc/60/90/76/1369609076.db2.gz XOAKPTVMDKHXSV-IBGZPJMESA-N 2 0 338.536 3.016 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CC2CCCCC2)CC1)[NH+](CC)CC ZINC001202473142 1369783006 /nfs/dbraw/zinc/78/30/06/1369783006.db2.gz GLCPYWAJVXJQFM-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001202509537 1369794954 /nfs/dbraw/zinc/79/49/54/1369794954.db2.gz BUFUSIZWPMWYHS-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc2c[nH+]cn21 ZINC001325673270 1388026667 /nfs/dbraw/zinc/02/66/67/1388026667.db2.gz MTMUUJUVENJPBX-AUUYWEPGSA-N 2 0 336.439 3.064 20 0 EGADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202668453 1369843742 /nfs/dbraw/zinc/84/37/42/1369843742.db2.gz MPSWWUVUPBZAEP-NHCUHLMSSA-N 2 0 328.500 3.257 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202863800 1369910987 /nfs/dbraw/zinc/91/09/87/1369910987.db2.gz NAPVMCGNUVDVSD-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202928464 1369928401 /nfs/dbraw/zinc/92/84/01/1369928401.db2.gz GXNOUFXAXAAUIR-QZTJIDSGSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202929469 1369928511 /nfs/dbraw/zinc/92/85/11/1369928511.db2.gz NIOWXOMEPDVJMR-QZTJIDSGSA-N 2 0 347.547 3.234 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2)CC1)C(C)C ZINC001202990683 1369947894 /nfs/dbraw/zinc/94/78/94/1369947894.db2.gz ADCQTRFTXPKALO-HXUWFJFHSA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001203010133 1369952720 /nfs/dbraw/zinc/95/27/20/1369952720.db2.gz IGEFGIYARQBQLS-WQLSENKSSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1nn(C)c(C)c1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001203063643 1369970123 /nfs/dbraw/zinc/97/01/23/1369970123.db2.gz SYRYNYIGUYXJHU-UHFFFAOYSA-N 2 0 340.515 3.381 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CC1 ZINC001203065556 1369970758 /nfs/dbraw/zinc/97/07/58/1369970758.db2.gz QYRSROVUKSHJSI-UHFFFAOYSA-N 2 0 332.536 3.371 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001203081032 1369976147 /nfs/dbraw/zinc/97/61/47/1369976147.db2.gz XOKFFRCIXCFZSE-ZWKOTPCHSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001203160429 1370004704 /nfs/dbraw/zinc/00/47/04/1370004704.db2.gz ZJEXOIPTFMGIPQ-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001187034883 1388043132 /nfs/dbraw/zinc/04/31/32/1388043132.db2.gz PBQDSWYXTAICIM-CTWPCTMYSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230613 1370032747 /nfs/dbraw/zinc/03/27/47/1370032747.db2.gz OLWIXRGFDKCFSK-ROUUACIJSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230646 1370033034 /nfs/dbraw/zinc/03/30/34/1370033034.db2.gz OVZKJVOEQQRFCJ-ZWKOTPCHSA-N 2 0 347.547 3.234 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034753 1388043424 /nfs/dbraw/zinc/04/34/24/1388043424.db2.gz NAJLUUBLNPUJGD-NHQAVIFJSA-N 2 0 343.515 3.226 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH2+]CC[C@H](C)F)CC1)c1ccccc1 ZINC001203313516 1370078100 /nfs/dbraw/zinc/07/81/00/1370078100.db2.gz SCZDKYFXOZADCN-QFBILLFUSA-N 2 0 349.494 3.008 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C23CCC3)CC1 ZINC001203317106 1370080017 /nfs/dbraw/zinc/08/00/17/1370080017.db2.gz LGIQAFPKPKHOGA-SJORKVTESA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203325979 1370083341 /nfs/dbraw/zinc/08/33/41/1370083341.db2.gz REQWKIJQGTYMNN-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C12CCC2 ZINC001203360623 1370098213 /nfs/dbraw/zinc/09/82/13/1370098213.db2.gz XYUUHSAFSMYDQU-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001203431386 1370123124 /nfs/dbraw/zinc/12/31/24/1370123124.db2.gz FHDKYCSMJIADNK-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203523283 1370154211 /nfs/dbraw/zinc/15/42/11/1370154211.db2.gz QAORIKUEWHCDHM-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203577006 1370176568 /nfs/dbraw/zinc/17/65/68/1370176568.db2.gz MNVZKHUNIWCJIH-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203579376 1370177567 /nfs/dbraw/zinc/17/75/67/1370177567.db2.gz ZKPRJFNCFGCXNL-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203633065 1370194599 /nfs/dbraw/zinc/19/45/99/1370194599.db2.gz WFIZXWWOQPXKBR-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203642787 1370198891 /nfs/dbraw/zinc/19/88/91/1370198891.db2.gz YUBHWXSUAYJMHZ-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001203739140 1370243958 /nfs/dbraw/zinc/24/39/58/1370243958.db2.gz BWGXZQGITAXOIM-UHFFFAOYSA-N 2 0 347.547 3.334 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203794247 1370267793 /nfs/dbraw/zinc/26/77/93/1370267793.db2.gz WFWNCDGKGWBLDM-IAGOWNOFSA-N 2 0 337.552 3.170 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001115104005 1370281272 /nfs/dbraw/zinc/28/12/72/1370281272.db2.gz QBCTZOUKFXIABF-ZGXWSNOMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203904521 1370308744 /nfs/dbraw/zinc/30/87/44/1370308744.db2.gz ZGXUHFMFEKONAD-PXDRNWIDSA-N 2 0 349.563 3.434 20 0 EGADRP CC(=O)Nc1ccc(C[N@H+](C2CCCC2)C2CCN(C)CC2)cc1 ZINC001203931218 1370319790 /nfs/dbraw/zinc/31/97/90/1370319790.db2.gz QSODJHCKVDINRX-UHFFFAOYSA-N 2 0 329.488 3.484 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204088772 1370374136 /nfs/dbraw/zinc/37/41/36/1370374136.db2.gz WTMDBXAQLOQESP-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP Fc1ccc(F)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001204214124 1370410506 /nfs/dbraw/zinc/41/05/06/1370410506.db2.gz HSJSLFGTIBHJRI-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C[C@@H]21 ZINC001204269151 1370428230 /nfs/dbraw/zinc/42/82/30/1370428230.db2.gz WBGARRSZYJSDLX-GIVPXCGWSA-N 2 0 346.515 3.264 20 0 EGADRP CC1CCC(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCCCC2)CC1 ZINC001115451034 1370459538 /nfs/dbraw/zinc/45/95/38/1370459538.db2.gz YHCBTDJZMGKSQE-ACBHZAAOSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](Cc1cc(Br)ccc1N1CC[NH2+]CC1)C(C)C ZINC001204611639 1370530170 /nfs/dbraw/zinc/53/01/70/1370530170.db2.gz YZNRXWBZHFSGSA-UHFFFAOYSA-N 2 0 340.309 3.089 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115535396 1370531943 /nfs/dbraw/zinc/53/19/43/1370531943.db2.gz UGBOAUNWKWSZNN-LJQANCHMSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1ccc(C)c(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c1 ZINC001204621734 1370532133 /nfs/dbraw/zinc/53/21/33/1370532133.db2.gz LOAUQGKIEZOWKR-UHFFFAOYSA-N 2 0 335.495 3.271 20 0 EGADRP Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1C ZINC001204621786 1370532154 /nfs/dbraw/zinc/53/21/54/1370532154.db2.gz MXOBQLIPEKIIMX-UHFFFAOYSA-N 2 0 335.495 3.271 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC=C(C)C)CCCCC2)CC[N@@H+]1C ZINC001115545168 1370541805 /nfs/dbraw/zinc/54/18/05/1370541805.db2.gz UWVPPMAADDQGIS-ZWKOTPCHSA-N 2 0 335.536 3.092 20 0 EGADRP COc1ccc(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1Cl ZINC001204734995 1370558723 /nfs/dbraw/zinc/55/87/23/1370558723.db2.gz IYLKARSBVYUFQW-UHFFFAOYSA-N 2 0 326.843 3.453 20 0 EGADRP [NH3+]CC[C@@H]1C[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCO1 ZINC001204756302 1370567566 /nfs/dbraw/zinc/56/75/66/1370567566.db2.gz MXYLAQIPECNOPC-QGZVFWFLSA-N 2 0 335.451 3.385 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115579280 1370582937 /nfs/dbraw/zinc/58/29/37/1370582937.db2.gz GKHKZXJTQDJULR-GXDWLZFVSA-N 2 0 341.927 3.022 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614582 1370612573 /nfs/dbraw/zinc/61/25/73/1370612573.db2.gz JCWFVZYTWFXJJI-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001205208125 1370680272 /nfs/dbraw/zinc/68/02/72/1370680272.db2.gz AMFZUYKOIZGHBJ-SFHVURJKSA-N 2 0 334.847 3.276 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001205209361 1370681264 /nfs/dbraw/zinc/68/12/64/1370681264.db2.gz IXXDCVUSIUKVBL-INIZCTEOSA-N 2 0 331.287 3.102 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC001205255071 1370697326 /nfs/dbraw/zinc/69/73/26/1370697326.db2.gz GAVAJZMGSVOTJD-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283480 1370705669 /nfs/dbraw/zinc/70/56/69/1370705669.db2.gz CRBLUNKSQHLMIB-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001115729331 1370710698 /nfs/dbraw/zinc/71/06/98/1370710698.db2.gz ATBBIQYVAQYUIY-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115729444 1370710942 /nfs/dbraw/zinc/71/09/42/1370710942.db2.gz GBIANHVTRQGBJM-MRXNPFEDSA-N 2 0 349.544 3.141 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729718 1370712288 /nfs/dbraw/zinc/71/22/88/1370712288.db2.gz QFVVFABHBHBGPR-XDXAGZTOSA-N 2 0 335.536 3.236 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730939 1370713926 /nfs/dbraw/zinc/71/39/26/1370713926.db2.gz VJUMGDWBWLALOF-SJLPKXTDSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001205334209 1370724410 /nfs/dbraw/zinc/72/44/10/1370724410.db2.gz GEJVIFHWMBYJHF-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001205549720 1370788539 /nfs/dbraw/zinc/78/85/39/1370788539.db2.gz ZQBBSDMJCFZPAV-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001115802532 1370785356 /nfs/dbraw/zinc/78/53/56/1370785356.db2.gz XEXLVQIXVMGZRM-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP COC(=O)CCCCCCCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545317 1370786534 /nfs/dbraw/zinc/78/65/34/1370786534.db2.gz CYSQHRIJGNAWFQ-GOSISDBHSA-N 2 0 330.488 3.433 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205545644 1370786730 /nfs/dbraw/zinc/78/67/30/1370786730.db2.gz KZSSKUKOWACVMO-WOJBJXKFSA-N 3 0 333.495 3.052 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCCCC1 ZINC001115806351 1370789961 /nfs/dbraw/zinc/78/99/61/1370789961.db2.gz UZGFPYDPQQBQQE-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC001205559845 1370791071 /nfs/dbraw/zinc/79/10/71/1370791071.db2.gz VOOQTMTZNOJIET-CQSZACIVSA-N 2 0 333.220 3.241 20 0 EGADRP C1=CC2(CC[NH2+]CC2)c2c1cccc2-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205557869 1370791129 /nfs/dbraw/zinc/79/11/29/1370791129.db2.gz DQTOOWIQDNSVKH-UHFFFAOYSA-N 2 0 345.490 3.411 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1C(F)(F)F ZINC001205570916 1370795274 /nfs/dbraw/zinc/79/52/74/1370795274.db2.gz PQJJHLLSWLKSAI-HNNXBMFYSA-N 2 0 334.357 3.367 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601803 1370806227 /nfs/dbraw/zinc/80/62/27/1370806227.db2.gz GNZRRHMSVWLFGR-HLAWJBBLSA-N 3 0 329.532 3.205 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(Br)ccc2F)CC[C@@H]1C[NH3+] ZINC001205601006 1370806335 /nfs/dbraw/zinc/80/63/35/1370806335.db2.gz CUAKVJZAKXOUEW-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205599818 1370806479 /nfs/dbraw/zinc/80/64/79/1370806479.db2.gz AFKBKBNWVCVIJZ-HMXCVIKNSA-N 2 0 329.532 3.348 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C[NH2+]C(C)(C)C)cc2)C1 ZINC001115966710 1370812297 /nfs/dbraw/zinc/81/22/97/1370812297.db2.gz ZEHVGRIYQALZHH-CALCHBBNSA-N 2 0 345.531 3.169 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1C[NH3+] ZINC001205618070 1370813074 /nfs/dbraw/zinc/81/30/74/1370813074.db2.gz RESMUMSSCSJTDA-AAEUAGOBSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC001205652211 1370828482 /nfs/dbraw/zinc/82/84/82/1370828482.db2.gz OMVQLXGSARIXOU-PXNSSMCTSA-N 2 0 339.483 3.467 20 0 EGADRP COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1OCC1CC1 ZINC001205663338 1370834347 /nfs/dbraw/zinc/83/43/47/1370834347.db2.gz HWEDVGYOWNZZHL-DOTOQJQBSA-N 2 0 332.488 3.291 20 0 EGADRP Cc1cc(C)c(C(=O)N2CCC(C[NH2+]C/C=C/Cl)CC2)c(C)n1 ZINC001205729022 1370852994 /nfs/dbraw/zinc/85/29/94/1370852994.db2.gz VAHGCENYFSEPPB-QPJJXVBHSA-N 2 0 335.879 3.201 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001205758717 1370861828 /nfs/dbraw/zinc/86/18/28/1370861828.db2.gz BERMVSSMQQCIMB-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)C[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205764689 1370864237 /nfs/dbraw/zinc/86/42/37/1370864237.db2.gz XMPGYZCXHSXTNS-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205767540 1370865113 /nfs/dbraw/zinc/86/51/13/1370865113.db2.gz DUOKUSKSRMEEIB-AATRIKPKSA-N 2 0 349.563 3.435 20 0 EGADRP [NH3+]C[C@@H]1CN(Cc2c(Cl)c3ccccc3[nH]c2=O)CCC1(F)F ZINC001205795500 1370873460 /nfs/dbraw/zinc/87/34/60/1370873460.db2.gz HCSWZJMKCAHZSK-SNVBAGLBSA-N 2 0 341.789 3.010 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001116294435 1370880419 /nfs/dbraw/zinc/88/04/19/1370880419.db2.gz YJPBJRAZSMDQPR-SFTDATJTSA-N 2 0 347.522 3.295 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c2c(OC)cccc12 ZINC001205901037 1370904775 /nfs/dbraw/zinc/90/47/75/1370904775.db2.gz ATWZIJJCZNBBBV-CABCVRRESA-N 2 0 328.456 3.416 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205983811 1370929399 /nfs/dbraw/zinc/92/93/99/1370929399.db2.gz PIOTUPKZFYUNBE-HLAWJBBLSA-N 2 0 329.532 3.348 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001116530111 1370930528 /nfs/dbraw/zinc/93/05/28/1370930528.db2.gz DFXFGWFXJJRMMU-QAPCUYQASA-N 2 0 348.450 3.036 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205995849 1370933255 /nfs/dbraw/zinc/93/32/55/1370933255.db2.gz RCKKAOGDMZRWAC-QAPCUYQASA-N 2 0 326.488 3.296 20 0 EGADRP C[C@H]1C[N@H+](Cc2sc(N3CCCC3)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206003096 1370934498 /nfs/dbraw/zinc/93/44/98/1370934498.db2.gz DQADOGAACWYNFB-STQMWFEESA-N 2 0 342.940 3.204 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206023194 1370941495 /nfs/dbraw/zinc/94/14/95/1370941495.db2.gz DOGONAJMVDRFTA-GOEBONIOSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206025079 1370942298 /nfs/dbraw/zinc/94/22/98/1370942298.db2.gz MBSVAZJUZBXZMU-RYUDHWBXSA-N 2 0 332.366 3.098 20 0 EGADRP C[C@H]1C[N@H+](Cc2c(Br)ccc(O)c2F)CCC[C@@H]1C[NH3+] ZINC001206025680 1370942582 /nfs/dbraw/zinc/94/25/82/1370942582.db2.gz OXYJJAMLSPKWRO-WDEREUQCSA-N 2 0 345.256 3.101 20 0 EGADRP C[C@H]1C[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CCC[C@H]1C[NH3+] ZINC001206036699 1370945108 /nfs/dbraw/zinc/94/51/08/1370945108.db2.gz OEZPGUSNDNKDDN-RYUDHWBXSA-N 2 0 340.393 3.389 20 0 EGADRP C[C@H]1C[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CCC[C@@H]1C[NH3+] ZINC001206037511 1370946121 /nfs/dbraw/zinc/94/61/21/1370946121.db2.gz VZAVZXBRRJFKAK-VHSXEESVSA-N 2 0 342.274 3.023 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001206067604 1370952691 /nfs/dbraw/zinc/95/26/91/1370952691.db2.gz JSPRKNZYZMQBKD-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206211736 1370994555 /nfs/dbraw/zinc/99/45/55/1370994555.db2.gz PIKDTGWYMKKVRV-ROUUACIJSA-N 2 0 332.419 3.118 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001206245380 1371002321 /nfs/dbraw/zinc/00/23/21/1371002321.db2.gz HTDORXNJAWTPKN-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001206257687 1371005641 /nfs/dbraw/zinc/00/56/41/1371005641.db2.gz HOCPOQRAYCWQTA-UHFFFAOYSA-N 2 0 326.440 3.101 20 0 EGADRP Cc1cc(N2CC[NH+](CCCCCC[NH3+])CC2)c2ccccc2[nH+]1 ZINC001206286795 1371013206 /nfs/dbraw/zinc/01/32/06/1371013206.db2.gz VCXQSXKLHWJEIP-UHFFFAOYSA-N 3 0 326.488 3.184 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311586 1371018181 /nfs/dbraw/zinc/01/81/81/1371018181.db2.gz QYCNIWSYGJOFDA-MRXNPFEDSA-N 2 0 341.293 3.409 20 0 EGADRP Cc1c(Br)cncc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318645 1371020015 /nfs/dbraw/zinc/02/00/15/1371020015.db2.gz SGLXHKPRLKHHFI-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001206499717 1371073718 /nfs/dbraw/zinc/07/37/18/1371073718.db2.gz AESWRXBFHALMRA-UHFFFAOYSA-N 2 0 336.277 3.491 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206548495 1371089978 /nfs/dbraw/zinc/08/99/78/1371089978.db2.gz PYKBMZUENRYYIF-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]C[C@@H](F)CC)CC1 ZINC001206621935 1371111144 /nfs/dbraw/zinc/11/11/44/1371111144.db2.gz MTPMEIRJINQUJP-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001206628789 1371113576 /nfs/dbraw/zinc/11/35/76/1371113576.db2.gz UUSVPPJTNZXPAL-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC001118122123 1371133124 /nfs/dbraw/zinc/13/31/24/1371133124.db2.gz PMTSVMWLDKRCFQ-INMHGKMJSA-N 2 0 338.467 3.422 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198894 1371144790 /nfs/dbraw/zinc/14/47/90/1371144790.db2.gz YBFLOLXMWCVZCH-UHFFFAOYSA-N 2 0 335.879 3.053 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1OC(F)(F)F ZINC001206769666 1371159471 /nfs/dbraw/zinc/15/94/71/1371159471.db2.gz PECFPVLADIOAPY-DGCLKSJQSA-N 2 0 332.366 3.153 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1OC(F)(F)F ZINC001206769667 1371159518 /nfs/dbraw/zinc/15/95/18/1371159518.db2.gz PECFPVLADIOAPY-WCQYABFASA-N 2 0 332.366 3.153 20 0 EGADRP CCN(CCn1ccnc1)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206832058 1371182298 /nfs/dbraw/zinc/18/22/98/1371182298.db2.gz WIQDDGOHLKKNHF-UHFFFAOYSA-N 2 0 326.400 3.069 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206889508 1371209869 /nfs/dbraw/zinc/20/98/69/1371209869.db2.gz VFQARMFASGYSKF-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001206890499 1371209963 /nfs/dbraw/zinc/20/99/63/1371209963.db2.gz VCLJKUWCKFOIHR-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001206929172 1371229931 /nfs/dbraw/zinc/22/99/31/1371229931.db2.gz XJFVILPPBYSGHA-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC001206950216 1371241784 /nfs/dbraw/zinc/24/17/84/1371241784.db2.gz GRVPZYDNBQROPA-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952464 1371243729 /nfs/dbraw/zinc/24/37/29/1371243729.db2.gz PSZYHGMJSYRKKC-ROUKRRSUSA-N 2 0 349.563 3.435 20 0 EGADRP CCc1nccc(C[NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)n1 ZINC001207089217 1371289346 /nfs/dbraw/zinc/28/93/46/1371289346.db2.gz HYHFPFFTRDGRFV-UHFFFAOYSA-N 2 0 330.520 3.373 20 0 EGADRP O=c1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC001207128243 1371304172 /nfs/dbraw/zinc/30/41/72/1371304172.db2.gz ZSOBVQNRRPLNJN-NRFANRHFSA-N 2 0 337.467 3.275 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207189418 1371324107 /nfs/dbraw/zinc/32/41/07/1371324107.db2.gz BNOGYWCQTVNGSW-MJGOQNOKSA-N 2 0 335.923 3.013 20 0 EGADRP Clc1ccc([C@H]2C[C@@H]2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001207189760 1371324264 /nfs/dbraw/zinc/32/42/64/1371324264.db2.gz DWVWALHIPRCZQE-UYAOXDASSA-N 2 0 347.934 3.157 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC001207189048 1371324788 /nfs/dbraw/zinc/32/47/88/1371324788.db2.gz XNWYYQJFDPBFKP-XLIONFOSSA-N 2 0 347.934 3.155 20 0 EGADRP CC[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207282627 1371350214 /nfs/dbraw/zinc/35/02/14/1371350214.db2.gz MLBJATZQLBIOMZ-MRXNPFEDSA-N 2 0 341.540 3.296 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001207288949 1371351757 /nfs/dbraw/zinc/35/17/57/1371351757.db2.gz FJMKUIXTTXHLQX-LEWJYISDSA-N 2 0 328.500 3.400 20 0 EGADRP COc1cccc(O[C@@H]2CCC[N@H+](CCC3CC[NH+](C)CC3)C2)c1 ZINC001207483039 1371409427 /nfs/dbraw/zinc/40/94/27/1371409427.db2.gz CETNRYJGHOVORG-HXUWFJFHSA-N 2 0 332.488 3.270 20 0 EGADRP CN(C(=O)OC(C)(C)C)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207485582 1371411305 /nfs/dbraw/zinc/41/13/05/1371411305.db2.gz XKJOVOIHMYBZTK-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C1)O[C@H](C)C2 ZINC001119988563 1371443850 /nfs/dbraw/zinc/44/38/50/1371443850.db2.gz KGOGBIKVSLYSIM-GFIVTLFCSA-N 2 0 344.499 3.181 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010701 1371454083 /nfs/dbraw/zinc/45/40/83/1371454083.db2.gz VBYOHSQNUGDPRP-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@H]2C1 ZINC001120071144 1371477784 /nfs/dbraw/zinc/47/77/84/1371477784.db2.gz FZZJULHFFHWUSE-XUVXKRRUSA-N 2 0 336.483 3.306 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001120207747 1371504540 /nfs/dbraw/zinc/50/45/40/1371504540.db2.gz DGLWMUZZZPYWSM-IYCSXQJISA-N 2 0 341.927 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001120208065 1371504793 /nfs/dbraw/zinc/50/47/93/1371504793.db2.gz SVRQVKGCFBZCRW-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]21 ZINC001207852026 1371520105 /nfs/dbraw/zinc/52/01/05/1371520105.db2.gz BZQQBTISJPJUKJ-KCITZHQASA-N 2 0 334.529 3.459 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)C1 ZINC001207912961 1371536640 /nfs/dbraw/zinc/53/66/40/1371536640.db2.gz AAKXGHZIJXCIDV-IEBWSBKVSA-N 2 0 344.499 3.140 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401028 1371562683 /nfs/dbraw/zinc/56/26/83/1371562683.db2.gz GEGHVNYPRQTTFB-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120412048 1371564638 /nfs/dbraw/zinc/56/46/38/1371564638.db2.gz DFECTULDUWZOOO-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001120430912 1371574171 /nfs/dbraw/zinc/57/41/71/1371574171.db2.gz NZSGIPJMUAUWLP-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120467774 1371586854 /nfs/dbraw/zinc/58/68/54/1371586854.db2.gz BYXSRJSZDOSPCH-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208111327 1371598855 /nfs/dbraw/zinc/59/88/55/1371598855.db2.gz KGGYUZWKOVOOIT-NHCUHLMSSA-N 3 0 341.543 3.172 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114076 1371599211 /nfs/dbraw/zinc/59/92/11/1371599211.db2.gz QYWLXRCBNDLOOR-UHFFFAOYSA-N 3 0 329.532 3.315 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](CC[C@@H](C)SC)CC1 ZINC001208147354 1371609772 /nfs/dbraw/zinc/60/97/72/1371609772.db2.gz HKCAWWWECIZAEW-GOSISDBHSA-N 2 0 329.598 3.258 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163990 1371614112 /nfs/dbraw/zinc/61/41/12/1371614112.db2.gz MVDZJVLWVDDXMW-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CC1(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208183783 1371624510 /nfs/dbraw/zinc/62/45/10/1371624510.db2.gz GJXJGOHGOFWEIH-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@]1(O)C(F)(F)F ZINC001208185224 1371626068 /nfs/dbraw/zinc/62/60/68/1371626068.db2.gz XQABHMMBPPLNRJ-GOEBONIOSA-N 2 0 336.442 3.134 20 0 EGADRP Cc1cccc(OC2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)n1 ZINC001208188619 1371631476 /nfs/dbraw/zinc/63/14/76/1371631476.db2.gz LAPCLWGVPYDDMV-UHFFFAOYSA-N 2 0 331.504 3.355 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208363360 1371735703 /nfs/dbraw/zinc/73/57/03/1371735703.db2.gz XYPOSYMSRYKEMC-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471581 1371780485 /nfs/dbraw/zinc/78/04/85/1371780485.db2.gz UPVNCRVSPCAAII-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208474468 1371781191 /nfs/dbraw/zinc/78/11/91/1371781191.db2.gz LSSDINOXQJDXNQ-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]([NH3+])C1CCCCC1 ZINC001326338778 1388159789 /nfs/dbraw/zinc/15/97/89/1388159789.db2.gz BCNXVYLZTLKGFS-LJQANCHMSA-N 2 0 331.504 3.004 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCN(c3nsc4ccccc43)CC2)CC1 ZINC001208596429 1371834774 /nfs/dbraw/zinc/83/47/74/1371834774.db2.gz OAPWQJFPZCTYSK-UHFFFAOYSA-N 2 0 344.528 3.150 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)CC1 ZINC001208601007 1371836555 /nfs/dbraw/zinc/83/65/55/1371836555.db2.gz JBEXOQFWCAPNTN-UHFFFAOYSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C[C@@H]1CCC[NH+](C)C1 ZINC001208616549 1371843141 /nfs/dbraw/zinc/84/31/41/1371843141.db2.gz LJSPOJFQJXGKOT-TYPHKJRUSA-N 2 0 329.532 3.171 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103515 1371854860 /nfs/dbraw/zinc/85/48/60/1371854860.db2.gz XCQRDXNYGUNFNT-FCOWATRHSA-N 2 0 349.563 3.312 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](CCC(C)(C)c2ccccc2)CC1 ZINC001208663922 1371856167 /nfs/dbraw/zinc/85/61/67/1371856167.db2.gz QMEWYBRXWYBCSH-UHFFFAOYSA-N 2 0 331.548 3.314 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001121133664 1371863085 /nfs/dbraw/zinc/86/30/85/1371863085.db2.gz HCHYBQZFHIZZQQ-FLIYLUCSSA-N 2 0 347.547 3.090 20 0 EGADRP C[C@H](C[NH+]1CCN(CC[NH+](C)C)CC1)c1cccc2ccccc21 ZINC001208705704 1371869608 /nfs/dbraw/zinc/86/96/08/1371869608.db2.gz KQLYTWSDGCMVFC-GOSISDBHSA-N 2 0 325.500 3.123 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208719917 1371872638 /nfs/dbraw/zinc/87/26/38/1371872638.db2.gz XTFWBTODRQXFNS-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208718073 1371873303 /nfs/dbraw/zinc/87/33/03/1371873303.db2.gz NQECGWIGMAICGB-IEBWSBKVSA-N 2 0 345.531 3.031 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)CCCC1 ZINC001208768721 1371890637 /nfs/dbraw/zinc/89/06/37/1371890637.db2.gz HHEHBDUBYXBICL-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)CCCC1 ZINC001208768691 1371890653 /nfs/dbraw/zinc/89/06/53/1371890653.db2.gz GRQVEZDZOSFDSO-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2)C1CCC1 ZINC001121246009 1371906963 /nfs/dbraw/zinc/90/69/63/1371906963.db2.gz KIXVASBSSJGJLO-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH+]1C[C@H]2C[NH+](CCCc3ccc(C(=O)OCC)cc3)C[C@@H]2C1 ZINC001208867575 1371924634 /nfs/dbraw/zinc/92/46/34/1371924634.db2.gz NUCKEUVNLHTASZ-PMACEKPBSA-N 2 0 344.499 3.070 20 0 EGADRP C[NH+](C)CCOCc1ncn2c1C[N@H+](CC1(C)CCCCC1)CCC2 ZINC001208900817 1371938615 /nfs/dbraw/zinc/93/86/15/1371938615.db2.gz XSSQWKZNGYBMJW-UHFFFAOYSA-N 2 0 348.535 3.137 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347937 1371946143 /nfs/dbraw/zinc/94/61/43/1371946143.db2.gz QDAZFBIGOBTTML-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208933041 1371951458 /nfs/dbraw/zinc/95/14/58/1371951458.db2.gz SUYNFAOUUVRYOK-RTWAWAEBSA-N 2 0 328.500 3.401 20 0 EGADRP CC[NH+](CC)C1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949717 1371961214 /nfs/dbraw/zinc/96/12/14/1371961214.db2.gz ODAAUNHIJCLXIB-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208952758 1371961435 /nfs/dbraw/zinc/96/14/35/1371961435.db2.gz KWOBZIWVORXCQM-RLLQIKCJSA-N 2 0 344.499 3.172 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208956861 1371962421 /nfs/dbraw/zinc/96/24/21/1371962421.db2.gz JEXYWOULVFFFRC-NRFANRHFSA-N 3 0 341.543 3.316 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001208990737 1371969007 /nfs/dbraw/zinc/96/90/07/1371969007.db2.gz IXEMOKODRQEZJS-KRWDZBQOSA-N 2 0 339.524 3.048 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209205054 1372037989 /nfs/dbraw/zinc/03/79/89/1372037989.db2.gz MLWMUDSLAPCGHN-KJYWSYJISA-N 2 0 349.563 3.435 20 0 EGADRP COCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001209215923 1372040431 /nfs/dbraw/zinc/04/04/31/1372040431.db2.gz QWLBZQAHVIQSPX-UHFFFAOYSA-N 2 0 335.492 3.148 20 0 EGADRP CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209222577 1372042612 /nfs/dbraw/zinc/04/26/12/1372042612.db2.gz JWUBTSBODZKQIG-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001209277086 1372056395 /nfs/dbraw/zinc/05/63/95/1372056395.db2.gz FWIQTIQMVQPSCQ-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)C1 ZINC001121774035 1372077056 /nfs/dbraw/zinc/07/70/56/1372077056.db2.gz WSUIUDPSUXQWTE-KZYAKZRFSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](CCCCNC(=O)OC(C)(C)C)CC2 ZINC001209366845 1372079535 /nfs/dbraw/zinc/07/95/35/1372079535.db2.gz FDTQPPJVQNPGNI-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2CC3(C2)CC([NH2+]CCC(C)(C)C)C3)CC1 ZINC001121861375 1372106386 /nfs/dbraw/zinc/10/63/86/1372106386.db2.gz UYHFXBQGBITYKR-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H]3CN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC001209451903 1372109527 /nfs/dbraw/zinc/10/95/27/1372109527.db2.gz VYXGGOCTASKFIN-SZPZYZBQSA-N 2 0 341.543 3.235 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]32)cc1 ZINC001209449032 1372109536 /nfs/dbraw/zinc/10/95/36/1372109536.db2.gz QAJGIGPBGHUKTG-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCN(CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC001209452147 1372109766 /nfs/dbraw/zinc/10/97/66/1372109766.db2.gz FNGXEFNPDIHXQV-FCHUYYIVSA-N 2 0 341.543 3.316 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001121895616 1372116870 /nfs/dbraw/zinc/11/68/70/1372116870.db2.gz GDYDTUQSJQSUMW-JGQKGBITSA-N 2 0 347.547 3.211 20 0 EGADRP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001121910007 1372120706 /nfs/dbraw/zinc/12/07/06/1372120706.db2.gz GCOLSJWOPJKHEH-KRWDZBQOSA-N 2 0 349.544 3.124 20 0 EGADRP c1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001209554122 1372136430 /nfs/dbraw/zinc/13/64/30/1372136430.db2.gz WOFNUIKECSHMGX-ZWKOTPCHSA-N 2 0 327.497 3.487 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1)[NH+](CC)CC ZINC001209613583 1372150661 /nfs/dbraw/zinc/15/06/61/1372150661.db2.gz JRHUWIKLRSPTIY-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001209614095 1372151881 /nfs/dbraw/zinc/15/18/81/1372151881.db2.gz NANQZSYWZVMWAX-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001209688250 1372170705 /nfs/dbraw/zinc/17/07/05/1372170705.db2.gz CCXHYVYBCQBETB-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2 ZINC001122101768 1372175032 /nfs/dbraw/zinc/17/50/32/1372175032.db2.gz ZHEZFDXMSLNEAH-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP Nc1ccncc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001209725474 1372178276 /nfs/dbraw/zinc/17/82/76/1372178276.db2.gz KESLXLXONBHOQL-UHFFFAOYSA-N 2 0 342.512 3.044 20 0 EGADRP Clc1ccc(OC2CC[NH+](Cc3ccc4n3CC[NH2+]C4)CC2)cc1 ZINC001209894515 1372226082 /nfs/dbraw/zinc/22/60/82/1372226082.db2.gz NQPWRYWTFYIIDX-UHFFFAOYSA-N 2 0 345.874 3.288 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209939093 1372237090 /nfs/dbraw/zinc/23/70/90/1372237090.db2.gz BQJSKGRIIDRGQF-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209940576 1372237813 /nfs/dbraw/zinc/23/78/13/1372237813.db2.gz NOICOTCGYNNUFR-WWAPKCSDSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001209939815 1372237920 /nfs/dbraw/zinc/23/79/20/1372237920.db2.gz ITZLAOWPOZDVCP-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001210183726 1372290878 /nfs/dbraw/zinc/29/08/78/1372290878.db2.gz RGYOZSYPIZETDK-GOSISDBHSA-N 2 0 343.531 3.219 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190986 1372292261 /nfs/dbraw/zinc/29/22/61/1372292261.db2.gz ZAPWMEFZSNRGDD-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP Clc1ccc2ncccc2c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210269369 1372311362 /nfs/dbraw/zinc/31/13/62/1372311362.db2.gz STBUMPCKRVSNEE-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210412645 1372346128 /nfs/dbraw/zinc/34/61/28/1372346128.db2.gz WOVMGDDXVLFNQV-JTDSTZFVSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210416422 1372346460 /nfs/dbraw/zinc/34/64/60/1372346460.db2.gz OUPHYRHSDDNJRS-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC001210634894 1372396806 /nfs/dbraw/zinc/39/68/06/1372396806.db2.gz UHEMGQCSLZVVAG-GOSISDBHSA-N 2 0 325.541 3.125 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210744031 1372417530 /nfs/dbraw/zinc/41/75/30/1372417530.db2.gz NJMRDCNCTIWHGE-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210751089 1372419325 /nfs/dbraw/zinc/41/93/25/1372419325.db2.gz SBQFCTYOQUNNCF-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CCOc1ccc(F)c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001211051133 1372478253 /nfs/dbraw/zinc/47/82/53/1372478253.db2.gz RCVDHTMIYFNBHE-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP COc1c[nH+]ccc1Nc1c(F)cccc1OCC1CC[NH+](C)CC1 ZINC001211265550 1372515615 /nfs/dbraw/zinc/51/56/15/1372515615.db2.gz QEDZANGRBZXFMJ-UHFFFAOYSA-N 2 0 345.418 3.115 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001211268892 1372517216 /nfs/dbraw/zinc/51/72/16/1372517216.db2.gz LNXFJJZUNKSNQF-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001211284519 1372520404 /nfs/dbraw/zinc/52/04/04/1372520404.db2.gz MDKKWYLOIALULV-ACGJQVIASA-N 2 0 343.515 3.011 20 0 EGADRP CCOc1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(F)cc1F ZINC001212530934 1372722684 /nfs/dbraw/zinc/72/26/84/1372722684.db2.gz ZOIMLUCMBINXLV-UHFFFAOYSA-N 2 0 348.397 3.254 20 0 EGADRP C[NH+]1CCN(c2ncccc2Nc2cc[nH+]c(C(C)(C)C)c2)CC1 ZINC001213162723 1372850994 /nfs/dbraw/zinc/85/09/94/1372850994.db2.gz JWRRNQKEPWUQLW-UHFFFAOYSA-N 2 0 325.460 3.270 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001127327171 1373115896 /nfs/dbraw/zinc/11/58/96/1373115896.db2.gz HLIIUBCHVTXRJJ-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001188106259 1388243246 /nfs/dbraw/zinc/24/32/46/1388243246.db2.gz FTMDVSCLOJWUCE-UYAOXDASSA-N 2 0 343.515 3.123 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106347 1388243266 /nfs/dbraw/zinc/24/32/66/1388243266.db2.gz GOCRZMAZDMYBAC-RBUKOAKNSA-N 2 0 343.515 3.123 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001214888783 1373136422 /nfs/dbraw/zinc/13/64/22/1373136422.db2.gz BMTMVKRCPRQDOJ-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@H]1C ZINC001214917414 1373141382 /nfs/dbraw/zinc/14/13/82/1373141382.db2.gz ZYIKCMWNEYXCEQ-QRQLOZEOSA-N 2 0 348.535 3.343 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC001127942884 1373203073 /nfs/dbraw/zinc/20/30/73/1373203073.db2.gz YBXONJJTEZZVSB-IBGZPJMESA-N 2 0 345.531 3.308 20 0 EGADRP COc1c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc(C)c1F ZINC001215601577 1373215928 /nfs/dbraw/zinc/21/59/28/1373215928.db2.gz RTKYEGKMXPKADX-UHFFFAOYSA-N 2 0 330.407 3.033 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001216348263 1373304247 /nfs/dbraw/zinc/30/42/47/1373304247.db2.gz JCCBDJQOQNVBQW-KZNAEPCWSA-N 2 0 343.531 3.073 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001216773094 1373341158 /nfs/dbraw/zinc/34/11/58/1373341158.db2.gz ZLUDHKYWPSFFGR-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COC[C@H]2CC[C@H]([NH3+])CC2)O1 ZINC001217908135 1373511747 /nfs/dbraw/zinc/51/17/47/1373511747.db2.gz IUXTYCNCIJTKFS-VAMGGRTRSA-N 2 0 346.515 3.200 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CCC[NH2+]C[C@@H]4F)cc32)CC1 ZINC001217947665 1373516316 /nfs/dbraw/zinc/51/63/16/1373516316.db2.gz JIGHXVYUJZJRPU-AZUAARDMSA-N 2 0 345.462 3.446 20 0 EGADRP F[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001218066470 1373552156 /nfs/dbraw/zinc/55/21/56/1373552156.db2.gz LKJLNHJWSRVFHN-MSOLQXFVSA-N 2 0 343.446 3.300 20 0 EGADRP CC[C@@H](c1cccc(OC[C@H]2C[NH2+]CCCO2)c1)[C@@H](C)C[NH+](C)C ZINC001218301195 1373590914 /nfs/dbraw/zinc/59/09/14/1373590914.db2.gz ZLCVPAITYDBBBI-PWIZWCRZSA-N 2 0 334.504 3.135 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4C[NH2+]CCC4(F)F)cc32)CC1 ZINC001218447336 1373614240 /nfs/dbraw/zinc/61/42/40/1373614240.db2.gz JCSRBYGGNWDRRQ-SFHVURJKSA-N 2 0 349.425 3.353 20 0 EGADRP O=C(Nc1ccccc1)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001218808793 1373655445 /nfs/dbraw/zinc/65/54/45/1373655445.db2.gz IQSGKDMJQATBLD-DENIHFKCSA-N 2 0 349.478 3.127 20 0 EGADRP Cc1ccccc1-c1cccc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218955575 1373670464 /nfs/dbraw/zinc/67/04/64/1373670464.db2.gz IOLZITJSBUPFJA-FQEVSTJZSA-N 2 0 349.478 3.475 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001218996579 1373676445 /nfs/dbraw/zinc/67/64/45/1373676445.db2.gz KHCFAZICNGRPFY-ZVDOUQERSA-N 2 0 349.478 3.238 20 0 EGADRP c1cnn(-c2ccc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cc2)n1 ZINC001222173605 1373819119 /nfs/dbraw/zinc/81/91/19/1373819119.db2.gz VUYKAIOOBQNSPH-HXUWFJFHSA-N 2 0 339.487 3.013 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001131828295 1373826605 /nfs/dbraw/zinc/82/66/05/1373826605.db2.gz JZUBAFSTFOGGME-SFHVURJKSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CC/C=C\c2ccccc2)CCCC1 ZINC001131840419 1373833181 /nfs/dbraw/zinc/83/31/81/1373833181.db2.gz KBAMQEIKRJYCCY-SDQBBNPISA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001131844085 1373833912 /nfs/dbraw/zinc/83/39/12/1373833912.db2.gz AYWSMHLXHSSYAT-KRWDZBQOSA-N 2 0 331.504 3.026 20 0 EGADRP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401113 1373839075 /nfs/dbraw/zinc/83/90/75/1373839075.db2.gz QSWDZZQDTKPFLO-GOSISDBHSA-N 2 0 340.552 3.310 20 0 EGADRP CCC[NH+]1CCC(NC(=O)c2ccc(C3CC[NH+](C)CC3)cc2)CC1 ZINC001188320937 1388289708 /nfs/dbraw/zinc/28/97/08/1388289708.db2.gz URXRJEMYXZMQDD-UHFFFAOYSA-N 2 0 343.515 3.100 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456855 1388312578 /nfs/dbraw/zinc/31/25/78/1388312578.db2.gz XOTVKCUIXYKASF-PKOBYXMFSA-N 2 0 340.471 3.061 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929431 1375047875 /nfs/dbraw/zinc/04/78/75/1375047875.db2.gz VNYVRRMGLUVKLY-WUUFJKRQSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739050 1375072476 /nfs/dbraw/zinc/07/24/76/1375072476.db2.gz IFPMYORZWBJUOE-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225577962 1375126661 /nfs/dbraw/zinc/12/66/61/1375126661.db2.gz OBCWESKYRTXMAB-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132089954 1375139755 /nfs/dbraw/zinc/13/97/55/1375139755.db2.gz BDRLUZRBHIPWKS-GOVFWEMJSA-N 2 0 332.492 3.058 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@H]1C ZINC001132133066 1375164051 /nfs/dbraw/zinc/16/40/51/1375164051.db2.gz XLXJSRMDESUDJQ-ZBFHGGJFSA-N 2 0 328.460 3.336 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@@H+]1CCC1CC1 ZINC001132141536 1375167257 /nfs/dbraw/zinc/16/72/57/1375167257.db2.gz RLHJSIUCUSRDEU-WMZOPIPTSA-N 2 0 349.563 3.409 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132149135 1375170458 /nfs/dbraw/zinc/17/04/58/1375170458.db2.gz GHYZQLGXRZNMAH-ZYHOBAKYSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@@H+]1CC1CCCC1 ZINC001132211294 1375211918 /nfs/dbraw/zinc/21/19/18/1375211918.db2.gz NYCFJARMSKLZTN-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212363 1375212140 /nfs/dbraw/zinc/21/21/40/1375212140.db2.gz XFJDQYQDOQBGAG-QZTJIDSGSA-N 2 0 337.552 3.410 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132248878 1375244600 /nfs/dbraw/zinc/24/46/00/1375244600.db2.gz JWBJEQMDRUDHSO-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCC1CCCCCC1 ZINC001132277081 1375261171 /nfs/dbraw/zinc/26/11/71/1375261171.db2.gz AQIPEPXTDPXVIC-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001132283654 1375267979 /nfs/dbraw/zinc/26/79/79/1375267979.db2.gz BJPUCHBMXFHSHA-KRWDZBQOSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309830 1375288776 /nfs/dbraw/zinc/28/87/76/1375288776.db2.gz FDCLTJIEVVTBLW-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC)C1 ZINC001132364634 1375327513 /nfs/dbraw/zinc/32/75/13/1375327513.db2.gz CZYBLGZNUMYSSW-ZWKOTPCHSA-N 2 0 325.541 3.268 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001226765834 1375328803 /nfs/dbraw/zinc/32/88/03/1375328803.db2.gz FXVDDXMRYBHFOI-IPMKNSEASA-N 2 0 337.552 3.172 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]2C)cc1 ZINC001132374965 1375338099 /nfs/dbraw/zinc/33/80/99/1375338099.db2.gz BHKONFXBFXISNM-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380745 1375341149 /nfs/dbraw/zinc/34/11/49/1375341149.db2.gz OQKORCLYWCHVOX-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434518 1375378189 /nfs/dbraw/zinc/37/81/89/1375378189.db2.gz YADLMRFDKROBSB-WMZOPIPTSA-N 2 0 325.541 3.124 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132433039 1375378415 /nfs/dbraw/zinc/37/84/15/1375378415.db2.gz JRNHZGXOAFVWJC-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CC1=CCCCC1 ZINC001132436597 1375380827 /nfs/dbraw/zinc/38/08/27/1375380827.db2.gz MTGRGDODOYZRRB-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCC(C)(C)C ZINC001132436720 1375381237 /nfs/dbraw/zinc/38/12/37/1375381237.db2.gz NCZXRIGTOXJJEY-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132437374 1375382104 /nfs/dbraw/zinc/38/21/04/1375382104.db2.gz SMDYTMOGQXZSIC-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132437452 1375382198 /nfs/dbraw/zinc/38/21/98/1375382198.db2.gz UVVGGXBXNOYJOA-IEBWSBKVSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132437373 1375382669 /nfs/dbraw/zinc/38/26/69/1375382669.db2.gz SMDYTMOGQXZSIC-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132442347 1375386496 /nfs/dbraw/zinc/38/64/96/1375386496.db2.gz ZXJGRENRQDKPML-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227150693 1375397884 /nfs/dbraw/zinc/39/78/84/1375397884.db2.gz ZNLXBZIBEJEVDH-IAGOWNOFSA-N 2 0 325.541 3.314 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)cc1 ZINC001132519440 1375437617 /nfs/dbraw/zinc/43/76/17/1375437617.db2.gz YYBJBASZNARWMU-FXAWDEMLSA-N 2 0 345.531 3.058 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CC1CCCCC1 ZINC001132523876 1375439032 /nfs/dbraw/zinc/43/90/32/1375439032.db2.gz BJMNYJORIKCOBW-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703935 1375464142 /nfs/dbraw/zinc/46/41/42/1375464142.db2.gz OVZBQOXIOJDRPG-FSIHAKKGSA-N 2 0 347.547 3.234 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001227877248 1375485994 /nfs/dbraw/zinc/48/59/94/1375485994.db2.gz PSRRAQBCDRRLRE-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH+]2CCC(NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)cs1 ZINC001227877084 1375486200 /nfs/dbraw/zinc/48/62/00/1375486200.db2.gz NNVNCRLFOLORQV-GOSISDBHSA-N 2 0 349.544 3.012 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001228053917 1375512871 /nfs/dbraw/zinc/51/28/71/1375512871.db2.gz LKPGXBNAFMZCAQ-KRWDZBQOSA-N 2 0 345.531 3.367 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415583 1375568973 /nfs/dbraw/zinc/56/89/73/1375568973.db2.gz PKZXSUZWWFKZCE-BBIZLLLXSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC001133040490 1375731181 /nfs/dbraw/zinc/73/11/81/1375731181.db2.gz SYZBSVYILFGDPC-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C)C(C)C ZINC001229194985 1375785301 /nfs/dbraw/zinc/78/53/01/1375785301.db2.gz VBPVRSLTRPTKSC-QRVBRYPASA-N 2 0 339.568 3.416 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133120802 1375786207 /nfs/dbraw/zinc/78/62/07/1375786207.db2.gz BGROQGJPXMLWIJ-ROUUACIJSA-N 2 0 337.552 3.005 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC001229230478 1375791433 /nfs/dbraw/zinc/79/14/33/1375791433.db2.gz IDGAJFIJWITMRQ-RCCFBDPRSA-N 2 0 325.541 3.027 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+](CC)CC)cc1 ZINC001229237264 1375792147 /nfs/dbraw/zinc/79/21/47/1375792147.db2.gz AQAWBQRUYRCWHV-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001133185658 1375829770 /nfs/dbraw/zinc/82/97/70/1375829770.db2.gz GYSNPMGQKDIAEV-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213159 1375844793 /nfs/dbraw/zinc/84/47/93/1375844793.db2.gz JHMWTHYJEZDHRP-UYAOXDASSA-N 2 0 349.563 3.147 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001229545076 1375853090 /nfs/dbraw/zinc/85/30/90/1375853090.db2.gz RCZRUAHPRFDFHU-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001229644951 1375870605 /nfs/dbraw/zinc/87/06/05/1375870605.db2.gz CSIYYISEQZEVPT-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001229652974 1375872482 /nfs/dbraw/zinc/87/24/82/1375872482.db2.gz UUXBHLZFTSMNTM-QRVBRYPASA-N 2 0 331.504 3.106 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001229664894 1375874010 /nfs/dbraw/zinc/87/40/10/1375874010.db2.gz WZBUIOHLFKGKIH-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001133361068 1375944154 /nfs/dbraw/zinc/94/41/54/1375944154.db2.gz SERHAGCPGVGAGL-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001133360770 1375944265 /nfs/dbraw/zinc/94/42/65/1375944265.db2.gz OGTMARIJIIQISB-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001230284409 1375983526 /nfs/dbraw/zinc/98/35/26/1375983526.db2.gz CUYRKVWLZORZRH-MISYRCLQSA-N 2 0 345.531 3.413 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001230286147 1375985018 /nfs/dbraw/zinc/98/50/18/1375985018.db2.gz COIQLBOKMYUIDH-AQNXPRMDSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001230334831 1376000498 /nfs/dbraw/zinc/00/04/98/1376000498.db2.gz ATCVVZOLSVKPJZ-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001230334393 1376000871 /nfs/dbraw/zinc/00/08/71/1376000871.db2.gz VBJYVKBHDWGLSY-IRXDYDNUSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230341629 1376004016 /nfs/dbraw/zinc/00/40/16/1376004016.db2.gz PUEGXEJRNZCRAW-RTBURBONSA-N 2 0 337.552 3.460 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001230342199 1376004137 /nfs/dbraw/zinc/00/41/37/1376004137.db2.gz ZNMPOFGOGZCWEF-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001133434649 1376004632 /nfs/dbraw/zinc/00/46/32/1376004632.db2.gz XDQNKRGIJSQYBY-OXJNMPFZSA-N 2 0 341.499 3.193 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001230354707 1376006838 /nfs/dbraw/zinc/00/68/38/1376006838.db2.gz IYYQDNOTIXKUBQ-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)c1ccc(C[NH+]2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001230373828 1376009713 /nfs/dbraw/zinc/00/97/13/1376009713.db2.gz BNVASCXAWFFUTO-UHFFFAOYSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230431683 1376029862 /nfs/dbraw/zinc/02/98/62/1376029862.db2.gz UQPYPVWSPHXXDB-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP Nc1[nH]c2ccc(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2[nH+]1 ZINC001230515290 1376049069 /nfs/dbraw/zinc/04/90/69/1376049069.db2.gz ADKSGJQMNADJJP-RIFZZMRRSA-N 2 0 348.450 3.435 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC(C)C2)CC1 ZINC001230611149 1376100451 /nfs/dbraw/zinc/10/04/51/1376100451.db2.gz NSUUTQIZQXIDOW-QLOJAFMTSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001230611161 1376100981 /nfs/dbraw/zinc/10/09/81/1376100981.db2.gz OBCLCLXWNPZLCM-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC)c1ccc(F)cc1 ZINC001133689925 1376157978 /nfs/dbraw/zinc/15/79/78/1376157978.db2.gz FILCGDVJQOMOBV-MSOLQXFVSA-N 2 0 337.483 3.103 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc2ccccc2c1)[NH+](CC)CC ZINC001133690915 1376158012 /nfs/dbraw/zinc/15/80/12/1376158012.db2.gz WZAFXVDFKVVYLB-HXUWFJFHSA-N 2 0 341.499 3.166 20 0 EGADRP C[NH+](C)CCN1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001231430736 1376240866 /nfs/dbraw/zinc/24/08/66/1376240866.db2.gz ZMPLWRKEIWVJOE-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP c1c(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)[nH]c2cc[nH+]cc12 ZINC001232013570 1376382407 /nfs/dbraw/zinc/38/24/07/1376382407.db2.gz RIISHPFWBPJHDK-MISYRCLQSA-N 2 0 341.455 3.111 20 0 EGADRP c1ccn(Cc2ncn3c2CN(Cc2cc4c[nH+]ccc4[nH]2)CCC3)c1 ZINC001232015347 1376384016 /nfs/dbraw/zinc/38/40/16/1376384016.db2.gz WGLUAUGYAJGJPH-UHFFFAOYSA-N 2 0 346.438 3.015 20 0 EGADRP CC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232016208 1376384382 /nfs/dbraw/zinc/38/43/82/1376384382.db2.gz UUJJSNLASHKEQU-MRXNPFEDSA-N 2 0 344.459 3.394 20 0 EGADRP CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232152460 1376410279 /nfs/dbraw/zinc/41/02/79/1376410279.db2.gz XXLFPOMOGRDEAW-UHFFFAOYSA-N 2 0 343.490 3.451 20 0 EGADRP Nc1ccc(F)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232511807 1376473033 /nfs/dbraw/zinc/47/30/33/1376473033.db2.gz RZBVGMAQLGZHGW-IEBWSBKVSA-N 2 0 339.458 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(C)c1 ZINC001327212243 1388445085 /nfs/dbraw/zinc/44/50/85/1388445085.db2.gz BTTMKSXSAVJXOO-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369379 1376498055 /nfs/dbraw/zinc/49/80/55/1376498055.db2.gz KPCICLNTHRJYPF-IAGOWNOFSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1sccc1C[NH+](C)C)[NH2+]C/C=C/Cl ZINC001134518995 1376575645 /nfs/dbraw/zinc/57/56/45/1376575645.db2.gz IVUXFKJFYUCSKK-JOVKLMRISA-N 2 0 343.924 3.049 20 0 EGADRP Cc1c[nH]c(=O)c(C[NH+]2CCC(N(C)Cc3ccccc3F)CC2)c1 ZINC001233193772 1376583116 /nfs/dbraw/zinc/58/31/16/1376583116.db2.gz IJOHGIFPCOSZQD-UHFFFAOYSA-N 2 0 343.446 3.331 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001134612173 1376624767 /nfs/dbraw/zinc/62/47/67/1376624767.db2.gz IUVZKEOBVBGJRW-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)[NH+]1CCCCCC1 ZINC001134756494 1376702967 /nfs/dbraw/zinc/70/29/67/1376702967.db2.gz GFNYETOWGLVUDC-KRWDZBQOSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001134759429 1376704994 /nfs/dbraw/zinc/70/49/94/1376704994.db2.gz OXBSMQHPLJYSEP-ROUUACIJSA-N 2 0 331.504 3.026 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134774154 1376713505 /nfs/dbraw/zinc/71/35/05/1376713505.db2.gz VYMDNKLVXVKBQC-CSLLIFPHSA-N 2 0 325.541 3.336 20 0 EGADRP CC(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790937 1376723992 /nfs/dbraw/zinc/72/39/92/1376723992.db2.gz LHEMUWYAOOECRZ-JKSUJKDBSA-N 2 0 325.541 3.168 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810393 1376738200 /nfs/dbraw/zinc/73/82/00/1376738200.db2.gz YGECVLZRLMWQHS-UWUBPMADSA-N 2 0 342.487 3.486 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001189109996 1388459758 /nfs/dbraw/zinc/45/97/58/1388459758.db2.gz IJFYZFGHCJNIRD-XUVXKRRUSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346671 1376814547 /nfs/dbraw/zinc/81/45/47/1376814547.db2.gz ZZQPMBICLJYMJS-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994860 1376833810 /nfs/dbraw/zinc/83/38/10/1376833810.db2.gz XEUDKKHQGSKRJA-OKQSBHACSA-N 2 0 328.460 3.177 20 0 EGADRP c1ccc(Oc2ccccc2C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235036301 1376835010 /nfs/dbraw/zinc/83/50/10/1376835010.db2.gz LJTJDLKPIQSHEH-WIYYLYMNSA-N 2 0 338.451 3.289 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427610 1376870949 /nfs/dbraw/zinc/87/09/49/1376870949.db2.gz SJIQPOSJXSMXQD-ZWKOTPCHSA-N 2 0 339.483 3.455 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135078010 1376882935 /nfs/dbraw/zinc/88/29/35/1376882935.db2.gz XMSZIMGZGAZJSD-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP Cn1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c2c1ccnc2Cl ZINC001235702550 1376884173 /nfs/dbraw/zinc/88/41/73/1376884173.db2.gz LYWUMQOFWRTKLH-UHFFFAOYSA-N 2 0 346.906 3.438 20 0 EGADRP COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001235727521 1376887036 /nfs/dbraw/zinc/88/70/36/1376887036.db2.gz SQXGPVGTOGZERT-HXUWFJFHSA-N 2 0 325.456 3.327 20 0 EGADRP [NH3+]CCN(CC[NH3+])Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC001235878223 1376908378 /nfs/dbraw/zinc/90/83/78/1376908378.db2.gz VSGJINSYTTZFNP-UHFFFAOYSA-N 2 0 337.389 3.092 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235888232 1376910429 /nfs/dbraw/zinc/91/04/29/1376910429.db2.gz MFWUYVBVFPLSAP-QGZVFWFLSA-N 2 0 336.863 3.091 20 0 EGADRP CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227259 1376942582 /nfs/dbraw/zinc/94/25/82/1376942582.db2.gz AWMBOJUZUBYTNU-UHFFFAOYSA-N 2 0 347.503 3.283 20 0 EGADRP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC[NH2+]CCC3)cc2)cc1 ZINC001236241017 1376944234 /nfs/dbraw/zinc/94/42/34/1376944234.db2.gz PHQNQDRKZLSATP-UHFFFAOYSA-N 2 0 338.451 3.326 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179901 1376953653 /nfs/dbraw/zinc/95/36/53/1376953653.db2.gz BMJLBIZHHJMOHB-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180029 1376953878 /nfs/dbraw/zinc/95/38/78/1376953878.db2.gz CDRRPJBOVDQOFG-HOTGVXAUSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@@H](c1ccc(Br)cc1)N(C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001237460844 1376979155 /nfs/dbraw/zinc/97/91/55/1376979155.db2.gz BCZWOYUJXXIGSR-FZMZJTMJSA-N 2 0 327.266 3.166 20 0 EGADRP COc1ccc(-c2ccc(OCC[NH+](C)C)cc2)cc1C[NH+](C)C ZINC001242152313 1377022817 /nfs/dbraw/zinc/02/28/17/1377022817.db2.gz HCNUVMAGUHKRGF-UHFFFAOYSA-N 2 0 328.456 3.364 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135297807 1377026039 /nfs/dbraw/zinc/02/60/39/1377026039.db2.gz HRXNQLLNWMVCBZ-JKSUJKDBSA-N 2 0 349.519 3.408 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135299514 1377027039 /nfs/dbraw/zinc/02/70/39/1377027039.db2.gz XJSQVFJCHVSBFO-JKSUJKDBSA-N 2 0 349.519 3.408 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)CCC[NH+](C)C ZINC001135314445 1377033213 /nfs/dbraw/zinc/03/32/13/1377033213.db2.gz BFXKZOCQIDIVOJ-IRXDYDNUSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314866 1377033547 /nfs/dbraw/zinc/03/35/47/1377033547.db2.gz IEVHKGUIPQJMLL-ZWKOTPCHSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCCc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001135317356 1377034316 /nfs/dbraw/zinc/03/43/16/1377034316.db2.gz YBVIJEKTWZRACO-OALUTQOASA-N 2 0 347.547 3.224 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135317081 1377034698 /nfs/dbraw/zinc/03/46/98/1377034698.db2.gz WSVKFXGMZIIXMZ-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c(C)s1 ZINC001135320422 1377036879 /nfs/dbraw/zinc/03/68/79/1377036879.db2.gz OJZNMBINZKPJOJ-KGLIPLIRSA-N 2 0 339.549 3.080 20 0 EGADRP COc1cc(CC[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)cc(OC)c1 ZINC001246157260 1377050314 /nfs/dbraw/zinc/05/03/14/1377050314.db2.gz BRZYPRLEFTUMMH-KRWDZBQOSA-N 2 0 332.488 3.291 20 0 EGADRP COc1ccc(Br)cc1CC[NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246158157 1377050374 /nfs/dbraw/zinc/05/03/74/1377050374.db2.gz HLKXDEDMXIZWAD-RYUDHWBXSA-N 2 0 341.293 3.119 20 0 EGADRP CCOC(=O)C[C@@H]([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001246293511 1377051191 /nfs/dbraw/zinc/05/11/91/1377051191.db2.gz RYIHELCPGJOJPF-ZWKOTPCHSA-N 2 0 330.472 3.193 20 0 EGADRP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3COc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246379460 1377051642 /nfs/dbraw/zinc/05/16/42/1377051642.db2.gz NXCSRJNEAIBMMA-HLAWJBBLSA-N 2 0 336.479 3.191 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH2+]C1(Cc3ccccc3F)CC[NH2+]CC1)C2 ZINC001246380976 1377051728 /nfs/dbraw/zinc/05/17/28/1377051728.db2.gz LTBYZAWKKDJOTK-KRWDZBQOSA-N 2 0 342.433 3.387 20 0 EGADRP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246749362 1377053919 /nfs/dbraw/zinc/05/39/19/1377053919.db2.gz WCIUDBJSACUOPH-PNYFIKQUSA-N 2 0 345.556 3.319 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)NC(=O)CC[NH+](C)C ZINC001135372102 1377059594 /nfs/dbraw/zinc/05/95/94/1377059594.db2.gz NBPMFKDAUROLPN-DLBZAZTESA-N 2 0 345.531 3.279 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001135437455 1377098208 /nfs/dbraw/zinc/09/82/08/1377098208.db2.gz UKBZPXXQAYVWCO-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC001254509572 1377105161 /nfs/dbraw/zinc/10/51/61/1377105161.db2.gz PAFKXFVVIHDWDY-INIZCTEOSA-N 2 0 337.458 3.003 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC001254509574 1377105419 /nfs/dbraw/zinc/10/54/19/1377105419.db2.gz PAFKXFVVIHDWDY-MRXNPFEDSA-N 2 0 337.458 3.003 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC001135468750 1377108058 /nfs/dbraw/zinc/10/80/58/1377108058.db2.gz SRZRYHCNFUQQAR-ZWKOTPCHSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1)[NH2+]CCC(C)(C)C ZINC001135476388 1377110972 /nfs/dbraw/zinc/11/09/72/1377110972.db2.gz KFUWIGJPEYNNAM-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC1CC1 ZINC001135675684 1377180798 /nfs/dbraw/zinc/18/07/98/1377180798.db2.gz KFOBCATZCGGLAK-CVEARBPZSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675686 1377181031 /nfs/dbraw/zinc/18/10/31/1377181031.db2.gz KFOBCATZCGGLAK-HZPDHXFCSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135789248 1377211362 /nfs/dbraw/zinc/21/13/62/1377211362.db2.gz QMWRCNNNCDDHPN-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135789767 1377212199 /nfs/dbraw/zinc/21/21/99/1377212199.db2.gz ZPYZMOYBFGFOEE-DLBZAZTESA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001135823796 1377222380 /nfs/dbraw/zinc/22/23/80/1377222380.db2.gz HXFKXDLHDPJKLE-IAGOWNOFSA-N 2 0 339.568 3.416 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135860705 1377238105 /nfs/dbraw/zinc/23/81/05/1377238105.db2.gz GMGCYXXBUNOCHS-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135861516 1377238551 /nfs/dbraw/zinc/23/85/51/1377238551.db2.gz RXZOHXPOOKNEQN-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001135975719 1377283600 /nfs/dbraw/zinc/28/36/00/1377283600.db2.gz BCDCMRPMMHOEFP-OALUTQOASA-N 2 0 347.547 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135979630 1377284830 /nfs/dbraw/zinc/28/48/30/1377284830.db2.gz HYMSBYCJDKRUQY-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1CC ZINC001135992886 1377291452 /nfs/dbraw/zinc/29/14/52/1377291452.db2.gz WDMPRIHSOYSFKC-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001267090247 1377411679 /nfs/dbraw/zinc/41/16/79/1377411679.db2.gz IAJNMOZXFGHGOO-PMACEKPBSA-N 2 0 345.531 3.108 20 0 EGADRP c1c(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)nc2ccccn12 ZINC001136881787 1377434210 /nfs/dbraw/zinc/43/42/10/1377434210.db2.gz GDVOCOAACZRVDK-UHFFFAOYSA-N 2 0 346.478 3.432 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267683586 1377466121 /nfs/dbraw/zinc/46/61/21/1377466121.db2.gz LKDMAQJMNJNUQX-GOSISDBHSA-N 2 0 339.568 3.181 20 0 EGADRP C[N@H+](CCCC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001267759268 1377468238 /nfs/dbraw/zinc/46/82/38/1377468238.db2.gz WAHHLRVLCMPHRA-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1cccc2c(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)[nH]nc21 ZINC001137147724 1377485745 /nfs/dbraw/zinc/48/57/45/1377485745.db2.gz BVHWTWMNZPEOFC-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP c1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001137316013 1377516093 /nfs/dbraw/zinc/51/60/93/1377516093.db2.gz WJPJDGXUXIBRQO-HDICACEKSA-N 2 0 332.451 3.127 20 0 EGADRP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC001137316057 1377516866 /nfs/dbraw/zinc/51/68/66/1377516866.db2.gz XZKIMVVESRHTQU-UHFFFAOYSA-N 2 0 349.482 3.019 20 0 EGADRP CC[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001270789431 1377614249 /nfs/dbraw/zinc/61/42/49/1377614249.db2.gz VAUONKZDJJWDIG-TZIWHRDSSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ncccc2NC(=O)OC(C)(C)C)CC1 ZINC001138406689 1377718738 /nfs/dbraw/zinc/71/87/38/1377718738.db2.gz VQGDPJDHUOYQDL-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(Cc3ccc(OC(F)F)c(OC)c3)C[C@H]2C1 ZINC001138555933 1377741750 /nfs/dbraw/zinc/74/17/50/1377741750.db2.gz XQZMQOKHGRZFAM-GASCZTMLSA-N 2 0 340.414 3.070 20 0 EGADRP Cc1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C)s1 ZINC001138570227 1377745223 /nfs/dbraw/zinc/74/52/23/1377745223.db2.gz RXXUALKNERQJQJ-UHFFFAOYSA-N 2 0 344.528 3.216 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1OCC ZINC001138975441 1377812000 /nfs/dbraw/zinc/81/20/00/1377812000.db2.gz HEWWDUYSBGKXMZ-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3c(ccn3C)c2)CC1 ZINC001139190785 1377847469 /nfs/dbraw/zinc/84/74/69/1377847469.db2.gz WPSGZHSBWYTGHU-HXUWFJFHSA-N 2 0 341.499 3.254 20 0 EGADRP CN1CCN(c2ncc(C[N@H+](C)[C@@H]3CCc4ccccc43)s2)CC1 ZINC001139326263 1377868956 /nfs/dbraw/zinc/86/89/56/1377868956.db2.gz OHSGQXFOUJDZDM-GOSISDBHSA-N 2 0 342.512 3.014 20 0 EGADRP C[NH+](C)CCN1CC[NH+](Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001139751503 1377946637 /nfs/dbraw/zinc/94/66/37/1377946637.db2.gz QLLIOKHGRVQOFZ-UHFFFAOYSA-N 2 0 337.467 3.265 20 0 EGADRP Cc1ccc2n[nH]c(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)c2c1 ZINC001140330490 1378046659 /nfs/dbraw/zinc/04/66/59/1378046659.db2.gz BXBNZKHRQXNPFZ-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP COC(=O)Cc1ccccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001140654455 1378106023 /nfs/dbraw/zinc/10/60/23/1378106023.db2.gz KBNSSXZLPXMNEL-PMACEKPBSA-N 2 0 344.499 3.241 20 0 EGADRP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001274036290 1378114270 /nfs/dbraw/zinc/11/42/70/1378114270.db2.gz MRHHLCVKOQJIFS-BEFAXECRSA-N 2 0 331.504 3.005 20 0 EGADRP c1cn(CC[N@@H+]2CCC[C@@]3(CCCN(Cc4ccsc4)C3)C2)cn1 ZINC001275866999 1378159692 /nfs/dbraw/zinc/15/96/92/1378159692.db2.gz WOXDRSLTYSHDQH-LJQANCHMSA-N 2 0 344.528 3.323 20 0 EGADRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)s3)(C1)CCC2 ZINC001276162719 1378168598 /nfs/dbraw/zinc/16/85/98/1378168598.db2.gz OXBWNRMCRAWQGB-DLBZAZTESA-N 2 0 341.952 3.488 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001276336248 1378171911 /nfs/dbraw/zinc/17/19/11/1378171911.db2.gz HOQLMJGOUJKRRA-OAQYLSRUSA-N 2 0 336.483 3.451 20 0 EGADRP C[NH+](C)CCN1CC[NH+](Cc2cccc(-c3ccsc3)c2)CC1 ZINC001141377230 1378313979 /nfs/dbraw/zinc/31/39/79/1378313979.db2.gz KCVPUELRYYNXFP-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(C(F)(F)F)nn3)CC2)CC1 ZINC001141496502 1378334604 /nfs/dbraw/zinc/33/46/04/1378334604.db2.gz VKUXYKXXHHADDD-UHFFFAOYSA-N 2 0 342.409 3.049 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc4c(c3)OCCCO4)CC2)CC1 ZINC001142266865 1378427135 /nfs/dbraw/zinc/42/71/35/1378427135.db2.gz NIEICBFZQJCPRR-UHFFFAOYSA-N 2 0 344.499 3.402 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1C(F)(F)F ZINC001143638440 1378629078 /nfs/dbraw/zinc/62/90/78/1378629078.db2.gz PQBQRTIYFDYMFG-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001143831213 1378650966 /nfs/dbraw/zinc/65/09/66/1378650966.db2.gz BWFVMMKBWCSRME-IEBWSBKVSA-N 2 0 345.531 3.352 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(F)ccc(Cl)c1Cl ZINC001143861035 1378654348 /nfs/dbraw/zinc/65/43/48/1378654348.db2.gz YNAWSNGGCUFZQZ-UHFFFAOYSA-N 2 0 336.282 3.058 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC(F)(F)F ZINC001143872913 1378655932 /nfs/dbraw/zinc/65/59/32/1378655932.db2.gz DFUJSFLZXOAGGN-UHFFFAOYSA-N 2 0 346.393 3.367 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)CC(C)(C)C ZINC001143898142 1378658090 /nfs/dbraw/zinc/65/80/90/1378658090.db2.gz ZZSHNPGOBSBJLU-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001144005517 1378669710 /nfs/dbraw/zinc/66/97/10/1378669710.db2.gz VYEOPDAXVROMJL-MRXNPFEDSA-N 2 0 344.377 3.121 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001144005256 1378670006 /nfs/dbraw/zinc/67/00/06/1378670006.db2.gz OREJHVICUJBVLT-UHFFFAOYSA-N 2 0 344.377 3.121 20 0 EGADRP c1nc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c2ccccn12 ZINC001144625068 1378752362 /nfs/dbraw/zinc/75/23/62/1378752362.db2.gz BGDMBPMCPJBBCU-UHFFFAOYSA-N 2 0 346.478 3.432 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CCC[NH+]1CCCC1 ZINC001146532539 1378861390 /nfs/dbraw/zinc/86/13/90/1378861390.db2.gz BJVNDAXXZFXOIS-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583118 1378870875 /nfs/dbraw/zinc/87/08/75/1378870875.db2.gz JJGSYFYTFDLNBU-JKSUJKDBSA-N 2 0 331.504 3.035 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)s1 ZINC001146603342 1378877003 /nfs/dbraw/zinc/87/70/03/1378877003.db2.gz XEALPTAYKPEWGG-UONOGXRCSA-N 2 0 339.549 3.078 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001146612584 1378878213 /nfs/dbraw/zinc/87/82/13/1378878213.db2.gz QHANFGAADJPEMT-IRXDYDNUSA-N 2 0 349.494 3.075 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001146710261 1378905255 /nfs/dbraw/zinc/90/52/55/1378905255.db2.gz IJXOYQPPXDJSCP-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001147358553 1379008600 /nfs/dbraw/zinc/00/86/00/1379008600.db2.gz GPYQZOVPIBSMBU-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001147359140 1379008679 /nfs/dbraw/zinc/00/86/79/1379008679.db2.gz LYBNJSDNJNBZGK-VQIMIIECSA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001147359546 1379008997 /nfs/dbraw/zinc/00/89/97/1379008997.db2.gz RJMYVSOFHKDPKL-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001147449251 1379023525 /nfs/dbraw/zinc/02/35/25/1379023525.db2.gz LITJEJIIDJHKEJ-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001283621425 1379060744 /nfs/dbraw/zinc/06/07/44/1379060744.db2.gz KPWCTPSBMVYINM-LPHOPBHVSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716269 1379064092 /nfs/dbraw/zinc/06/40/92/1379064092.db2.gz CEORTQKZLYVHFA-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)C2 ZINC001147835474 1379088174 /nfs/dbraw/zinc/08/81/74/1379088174.db2.gz HUWUWMKUAZSUGT-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)[C@H]1C ZINC001283924860 1379276447 /nfs/dbraw/zinc/27/64/47/1379276447.db2.gz BBAVMYQAMCBRNY-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001148838896 1379279523 /nfs/dbraw/zinc/27/95/23/1379279523.db2.gz HFDODDIDSILRPI-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838904 1379279548 /nfs/dbraw/zinc/27/95/48/1379279548.db2.gz HHZYDMRPTTUIBU-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900259 1379294465 /nfs/dbraw/zinc/29/44/65/1379294465.db2.gz XJFIWATVBOOUGD-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900204 1379294496 /nfs/dbraw/zinc/29/44/96/1379294496.db2.gz VHEQHNZXQQJKFK-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001327940202 1388628008 /nfs/dbraw/zinc/62/80/08/1388628008.db2.gz LXYMUTVXULMCKG-FXAWDEMLSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CCC2CCCCCC2)c1 ZINC001152245398 1379893556 /nfs/dbraw/zinc/89/35/56/1379893556.db2.gz FVOLAZZPUWIWGG-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368778 1380065810 /nfs/dbraw/zinc/06/58/10/1380065810.db2.gz XTKYDBZTZPJMDY-GOSISDBHSA-N 2 0 345.531 3.278 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388214 1380067956 /nfs/dbraw/zinc/06/79/56/1380067956.db2.gz WHYGDEJFUIQDMP-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001153501713 1380085895 /nfs/dbraw/zinc/08/58/95/1380085895.db2.gz SGJAAZMLTWMCKJ-YZGWKJHDSA-N 2 0 345.531 3.052 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C ZINC001153728947 1380119271 /nfs/dbraw/zinc/11/92/71/1380119271.db2.gz VTQMEXHZAJOYRV-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1Cl)[NH+](C)C ZINC001153998454 1380174894 /nfs/dbraw/zinc/17/48/94/1380174894.db2.gz RTTULZOFQNWEKF-RHSMWYFYSA-N 2 0 339.911 3.007 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116287 1380211985 /nfs/dbraw/zinc/21/19/85/1380211985.db2.gz GCSNJVOZPDJJNY-HUUCEWRRSA-N 2 0 330.476 3.129 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347707 1380261136 /nfs/dbraw/zinc/26/11/36/1380261136.db2.gz IKXQCGHHWBYCAO-MRXNPFEDSA-N 2 0 330.476 3.211 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455625 1380280850 /nfs/dbraw/zinc/28/08/50/1380280850.db2.gz WPCHJNCUEPTGGG-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844628 1380363783 /nfs/dbraw/zinc/36/37/83/1380363783.db2.gz QSJAXRCLKZIFGK-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067383 1380402415 /nfs/dbraw/zinc/40/24/15/1380402415.db2.gz YKDZSFGARUXOLH-IWNSMCSQSA-N 2 0 345.531 3.113 20 0 EGADRP CCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001155084661 1380405197 /nfs/dbraw/zinc/40/51/97/1380405197.db2.gz DDDZUUFNSSNIFF-YLJYHZDGSA-N 2 0 347.547 3.162 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263268 1380430053 /nfs/dbraw/zinc/43/00/53/1380430053.db2.gz ONWFHMBNQLXNEN-GOSISDBHSA-N 2 0 347.547 3.300 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC001155588133 1380470811 /nfs/dbraw/zinc/47/08/11/1380470811.db2.gz QENODHMITWVGOH-XGXHKWSGSA-N 2 0 328.504 3.429 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631524 1380476845 /nfs/dbraw/zinc/47/68/45/1380476845.db2.gz RSKOCLZNZDLGIT-GFOMBABLSA-N 2 0 337.552 3.291 20 0 EGADRP CO[C@H](C[NH+]1CCN(c2cc3[nH]ccc3c[nH+]2)CC1)c1ccccc1 ZINC001155706987 1380485261 /nfs/dbraw/zinc/48/52/61/1380485261.db2.gz WVIVHBZRONWHCI-LJQANCHMSA-N 2 0 336.439 3.073 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001155802150 1380493212 /nfs/dbraw/zinc/49/32/12/1380493212.db2.gz GVTCEXKKDPOGAE-UZLBHIALSA-N 2 0 339.483 3.091 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838747 1380498031 /nfs/dbraw/zinc/49/80/31/1380498031.db2.gz DHTSWUHSWRIFPF-IAGOWNOFSA-N 2 0 333.520 3.235 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCCCF ZINC001155877641 1380502081 /nfs/dbraw/zinc/50/20/81/1380502081.db2.gz CBTRGZLBEJXJOB-GOSISDBHSA-N 2 0 345.547 3.465 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCCOc3ccccc3F)c2)CC1 ZINC001156024229 1380514182 /nfs/dbraw/zinc/51/41/82/1380514182.db2.gz XZXGLVLILCNOHO-UHFFFAOYSA-N 2 0 345.418 3.185 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086173 1380772401 /nfs/dbraw/zinc/77/24/01/1380772401.db2.gz GSFZYVQSJDGRJL-QGZVFWFLSA-N 2 0 333.520 3.235 20 0 EGADRP c1ccc(CN(c2cc(N3CCCC3)cc[nH+]2)[C@H]2CCC[NH2+]C2)cc1 ZINC001157435474 1380893330 /nfs/dbraw/zinc/89/33/30/1380893330.db2.gz PPTDGPJOUOZALL-FQEVSTJZSA-N 2 0 336.483 3.440 20 0 EGADRP CCC[NH+]1C[C@H]2CN(c3[nH+]ccc4cc(OC)c(OC)cc43)C[C@@H]2C1 ZINC001157693264 1381004540 /nfs/dbraw/zinc/00/45/40/1381004540.db2.gz YHKQXEUYCSMWGL-HOTGVXAUSA-N 2 0 341.455 3.030 20 0 EGADRP Cc1cccc2ccnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)c12 ZINC001157847736 1381050778 /nfs/dbraw/zinc/05/07/78/1381050778.db2.gz GZPKOBUGEIFSTL-UHFFFAOYSA-N 2 0 338.499 3.007 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001158079945 1381122467 /nfs/dbraw/zinc/12/24/67/1381122467.db2.gz USOLSRUABCKJJU-LJQANCHMSA-N 2 0 345.531 3.498 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158098785 1381127452 /nfs/dbraw/zinc/12/74/52/1381127452.db2.gz JUBKWQSOGCYNKG-PHWHVTFISA-N 2 0 349.563 3.483 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC(C)C)[NH+](C)C ZINC001158118152 1381133772 /nfs/dbraw/zinc/13/37/72/1381133772.db2.gz SXTAMZUMEWILRK-IPMKNSEASA-N 2 0 339.568 3.322 20 0 EGADRP [NH3+]C1CCN(c2cccc(N[C@H](C3CCC3)C(F)(F)F)[nH+]2)CC1 ZINC001158400946 1381231616 /nfs/dbraw/zinc/23/16/16/1381231616.db2.gz IZUBJJNBQPQFGL-OAHLLOKOSA-N 2 0 328.382 3.152 20 0 EGADRP C[N@H+](CCC(=O)N1CC[NH+](C)C2(CCCCC2)C1)C1CCCCC1 ZINC001158700437 1381359165 /nfs/dbraw/zinc/35/91/65/1381359165.db2.gz ANSSVNSGNJXDNR-UHFFFAOYSA-N 2 0 335.536 3.118 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914997 1381462581 /nfs/dbraw/zinc/46/25/81/1381462581.db2.gz YMRDZUZVWGZTHM-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001159327414 1381764745 /nfs/dbraw/zinc/76/47/45/1381764745.db2.gz JCZLBGHCJFTCHL-FQEVSTJZSA-N 2 0 345.531 3.082 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001159335003 1381767943 /nfs/dbraw/zinc/76/79/43/1381767943.db2.gz OJDNUNGXWQUXPV-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1(C)C ZINC001159396439 1381785375 /nfs/dbraw/zinc/78/53/75/1381785375.db2.gz YKCDSQHPGBKCNZ-UHFFFAOYSA-N 2 0 345.535 3.072 20 0 EGADRP [NH3+]CCOc1cccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001159509762 1381812607 /nfs/dbraw/zinc/81/26/07/1381812607.db2.gz VMGWYPHPTPLWFJ-UHFFFAOYSA-N 2 0 325.456 3.406 20 0 EGADRP CC(C)(C)c1cc(Nc2ccccc2C(=O)N2CC[NH2+]CC2)cc[nH+]1 ZINC001159554804 1381829278 /nfs/dbraw/zinc/82/92/78/1381829278.db2.gz JAOBOPRUAKAAOG-UHFFFAOYSA-N 2 0 338.455 3.168 20 0 EGADRP c1cc(Nc2ccc3c(c2)C[NH2+]CC3)ccc1COC1CC[NH2+]CC1 ZINC001159615706 1381849176 /nfs/dbraw/zinc/84/91/76/1381849176.db2.gz RZQUVONKZDKCJO-UHFFFAOYSA-N 2 0 337.467 3.345 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])NC(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001159784044 1381899118 /nfs/dbraw/zinc/89/91/18/1381899118.db2.gz GOBBIBCRCKKQDA-OAHLLOKOSA-N 2 0 340.805 3.065 20 0 EGADRP Clc1cc(Nc2ccc3c(c2)C[NH2+]C3)ccc1N1CC[NH2+]CC1 ZINC001159861913 1381923257 /nfs/dbraw/zinc/92/32/57/1381923257.db2.gz HTMHNFXVYCVKFK-UHFFFAOYSA-N 2 0 328.847 3.096 20 0 EGADRP Nc1ccccc1N(CC1CC[NH2+]CC1)c1cccc2c1CC[NH2+]C2 ZINC001159894414 1381931050 /nfs/dbraw/zinc/93/10/50/1381931050.db2.gz AHZNJAPZBGBBCR-UHFFFAOYSA-N 2 0 336.483 3.052 20 0 EGADRP Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC001159910312 1381934238 /nfs/dbraw/zinc/93/42/38/1381934238.db2.gz PYJRXQZAROODPR-SFHVURJKSA-N 2 0 349.544 3.059 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001159909790 1381934416 /nfs/dbraw/zinc/93/44/16/1381934416.db2.gz NINKJLPLJRXTEC-HXUWFJFHSA-N 2 0 345.531 3.108 20 0 EGADRP C[NH+](C)CCOc1cc(Br)ccc1NC1=C[NH2+]CCC1 ZINC001159995881 1381964275 /nfs/dbraw/zinc/96/42/75/1381964275.db2.gz AMFOWNSJQQUURL-UHFFFAOYSA-N 2 0 340.265 3.026 20 0 EGADRP c1ccc(C2=CC[NH2+]CC2)c(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001160023371 1381970905 /nfs/dbraw/zinc/97/09/05/1381970905.db2.gz MREGJYONEINURK-UHFFFAOYSA-N 2 0 348.494 3.212 20 0 EGADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NCC(C)(C)[NH3+])n1 ZINC001160032354 1381974364 /nfs/dbraw/zinc/97/43/64/1381974364.db2.gz SVPWCCRHQCFLTI-UHFFFAOYSA-N 2 0 335.521 3.299 20 0 EGADRP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC001160135141 1382010199 /nfs/dbraw/zinc/01/01/99/1382010199.db2.gz VHOQAERLVIJENL-UHFFFAOYSA-N 2 0 327.403 3.303 20 0 EGADRP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169410 1382023401 /nfs/dbraw/zinc/02/34/01/1382023401.db2.gz QQLXGRZYSYXCSD-SLVIYJBESA-N 2 0 347.547 3.211 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001160273682 1382058047 /nfs/dbraw/zinc/05/80/47/1382058047.db2.gz NDHCTCZABHQDHY-IBGZPJMESA-N 2 0 343.515 3.034 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001160274450 1382058108 /nfs/dbraw/zinc/05/81/08/1382058108.db2.gz SMFBSNULEVFCNA-MOPGFXCFSA-N 2 0 331.504 3.108 20 0 EGADRP Nc1cc(Cl)ccc1N(c1ccc2c(c1)C[NH2+]C2)C1CC[NH2+]CC1 ZINC001160288781 1382063191 /nfs/dbraw/zinc/06/31/91/1382063191.db2.gz PHRHOSNGXPTRRE-UHFFFAOYSA-N 2 0 342.874 3.416 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1)C1CC1 ZINC001160367972 1382084679 /nfs/dbraw/zinc/08/46/79/1382084679.db2.gz WSSXZLQBWCOLHH-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160473188 1382116754 /nfs/dbraw/zinc/11/67/54/1382116754.db2.gz HFVDVDSBSIHJRH-CSHXORCISA-N 2 0 335.536 3.211 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519095 1382129258 /nfs/dbraw/zinc/12/92/58/1382129258.db2.gz WOANPNDWNYLFQL-UHFFFAOYSA-N 2 0 337.552 3.435 20 0 EGADRP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160568475 1382145050 /nfs/dbraw/zinc/14/50/50/1382145050.db2.gz VUJZALWBHKPMLS-HXUWFJFHSA-N 2 0 347.547 3.211 20 0 EGADRP COc1ccc2c(cc[nH+]c2N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160736227 1382181626 /nfs/dbraw/zinc/18/16/26/1382181626.db2.gz LGWBHGKHKGZVPU-KGLIPLIRSA-N 2 0 325.334 3.196 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(C)C)c1 ZINC001292582075 1382204544 /nfs/dbraw/zinc/20/45/44/1382204544.db2.gz IHHZWVNEKVWKTQ-HXUWFJFHSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001160834914 1382212746 /nfs/dbraw/zinc/21/27/46/1382212746.db2.gz QXKROYYHOWRLCO-RTBURBONSA-N 2 0 349.563 3.175 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870002 1382219751 /nfs/dbraw/zinc/21/97/51/1382219751.db2.gz UNIDFRVFDHHDKN-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001160889543 1382225956 /nfs/dbraw/zinc/22/59/56/1382225956.db2.gz MPCHOVVYTPKKJD-OXQOHEQNSA-N 2 0 341.499 3.337 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](CCC3CC3)CC2)C1 ZINC001160986350 1382262350 /nfs/dbraw/zinc/26/23/50/1382262350.db2.gz PROUUSXQABGSFA-HXUWFJFHSA-N 2 0 347.547 3.047 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008605 1382270481 /nfs/dbraw/zinc/27/04/81/1382270481.db2.gz STMXSVOPTXHVBJ-PXNSSMCTSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCCCc3cccc(N)c3)c2)CC1 ZINC001161013240 1382271677 /nfs/dbraw/zinc/27/16/77/1382271677.db2.gz YNAAEJUWYMPXAI-UHFFFAOYSA-N 2 0 340.471 3.182 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)[C@@]3(CC)CCC[NH2+]C3)CC2)CC1 ZINC001161046383 1382282817 /nfs/dbraw/zinc/28/28/17/1382282817.db2.gz KAPJKUDIIRJANG-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101904 1382297526 /nfs/dbraw/zinc/29/75/26/1382297526.db2.gz PLBQHUMXJNTXQM-AATRIKPKSA-N 2 0 347.547 3.213 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161207487 1382342204 /nfs/dbraw/zinc/34/22/04/1382342204.db2.gz UQWWJVJBCQXVBC-SFHVURJKSA-N 2 0 335.536 3.047 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161214289 1382344257 /nfs/dbraw/zinc/34/42/57/1382344257.db2.gz XSIOSQGHZPJKDV-MJGOQNOKSA-N 2 0 337.552 3.291 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC001161412971 1382402497 /nfs/dbraw/zinc/40/24/97/1382402497.db2.gz NCDFHZRPEBYOAQ-YRPNKDGESA-N 2 0 343.515 3.045 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N1CCC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC001161489903 1382420802 /nfs/dbraw/zinc/42/08/02/1382420802.db2.gz RIZQQEDOKXVIAF-PZJWPPBQSA-N 2 0 345.531 3.437 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553531 1382437946 /nfs/dbraw/zinc/43/79/46/1382437946.db2.gz CZASIWZFGFZJBM-SNAWJCMRSA-N 2 0 347.547 3.213 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC2CCCC2)CC1 ZINC001161645932 1382469360 /nfs/dbraw/zinc/46/93/60/1382469360.db2.gz UMPWZZPQWUPWLK-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704855 1382485153 /nfs/dbraw/zinc/48/51/53/1382485153.db2.gz IGYSNWQQOMHWPT-OALUTQOASA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161734379 1382492139 /nfs/dbraw/zinc/49/21/39/1382492139.db2.gz ZQFFLFDSKBMZAG-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924881 1382554674 /nfs/dbraw/zinc/55/46/74/1382554674.db2.gz OGBZIXAGQGYQPF-HDICACEKSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952953 1382568678 /nfs/dbraw/zinc/56/86/78/1382568678.db2.gz MEHRZUKPBHFYCK-XJDXJNMNSA-N 2 0 347.547 3.356 20 0 EGADRP CC(C)([NH2+]CC1(c2cccnc2)CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC001162040216 1382611246 /nfs/dbraw/zinc/61/12/46/1382611246.db2.gz PTZXGGMJBCADLX-UHFFFAOYSA-N 2 0 344.890 3.276 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001162617588 1382810856 /nfs/dbraw/zinc/81/08/56/1382810856.db2.gz NQQSVWDTPDVIFL-INIZCTEOSA-N 2 0 336.439 3.113 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2cncc([C@H]3C[NH+]4CCC3CC4)n2)c1 ZINC001162910897 1382912940 /nfs/dbraw/zinc/91/29/40/1382912940.db2.gz YANNCJYZDDWHLX-KSSFIOAISA-N 2 0 347.466 3.249 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CC[NH2+]CCC(C)C)CCc1ccccc1 ZINC001162987753 1382939175 /nfs/dbraw/zinc/93/91/75/1382939175.db2.gz XBEVYEZPAZNSNC-UHFFFAOYSA-N 2 0 347.547 3.035 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1 ZINC001163275127 1383010901 /nfs/dbraw/zinc/01/09/01/1383010901.db2.gz QTDMQQOIGYKMLX-QRVBRYPASA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H](F)C(F)(F)CC3)c2)CC1 ZINC001163786229 1383122026 /nfs/dbraw/zinc/12/20/26/1383122026.db2.gz PJNGXLJWOQJKNV-OAHLLOKOSA-N 2 0 343.393 3.128 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001164449584 1383188001 /nfs/dbraw/zinc/18/80/01/1383188001.db2.gz MUVLRKMGSIXPEC-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164536383 1383197396 /nfs/dbraw/zinc/19/73/96/1383197396.db2.gz JSCCEGGXFUPPRU-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCCC(C)C)CC2)CC[N@@H+]1C ZINC001164583390 1383201986 /nfs/dbraw/zinc/20/19/86/1383201986.db2.gz YGQUEFALGCIRKS-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+]1CCC(C2CCN(c3ncccc3C[NH+]3CCCC3)CC2)CC1 ZINC001165067512 1383221294 /nfs/dbraw/zinc/22/12/94/1383221294.db2.gz QXLTYUHOWZCAHK-UHFFFAOYSA-N 2 0 342.531 3.236 20 0 EGADRP c1ccc(C[NH+]2CC3(CN(c4cc(N5CCCC5)cc[nH+]4)C3)C2)cc1 ZINC001165123469 1383232275 /nfs/dbraw/zinc/23/22/75/1383232275.db2.gz ZFASGNQBQPINRB-UHFFFAOYSA-N 2 0 334.467 3.004 20 0 EGADRP CC[NH+](CC)Cc1ccccc1Nc1cccnc1N1CC[C@H]([NH3+])C1 ZINC001165213139 1383249762 /nfs/dbraw/zinc/24/97/62/1383249762.db2.gz NMJUVYNXARJNST-KRWDZBQOSA-N 2 0 339.487 3.204 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165316329 1383271573 /nfs/dbraw/zinc/27/15/73/1383271573.db2.gz YAAYOYRDUQAQTI-QGZVFWFLSA-N 2 0 343.531 3.123 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1)c1ccccc1 ZINC001165464489 1383298752 /nfs/dbraw/zinc/29/87/52/1383298752.db2.gz FHFHMHMDAKHSFR-KRWDZBQOSA-N 2 0 343.515 3.108 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)CCC1 ZINC001165465127 1383298761 /nfs/dbraw/zinc/29/87/61/1383298761.db2.gz UDTGNZKTSZLZES-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[NH+](CC)Cc1cncc(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC001165469896 1383299700 /nfs/dbraw/zinc/29/97/00/1383299700.db2.gz UWBQKSBQFSFIGC-UHFFFAOYSA-N 2 0 338.499 3.467 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001165471787 1383300250 /nfs/dbraw/zinc/30/02/50/1383300250.db2.gz AIWIOECCASKJJI-IBGZPJMESA-N 2 0 349.563 3.031 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927297 1383366294 /nfs/dbraw/zinc/36/62/94/1383366294.db2.gz ZRZWADPUKQKOPV-VOFKWLDRSA-N 2 0 349.563 3.339 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC1CCC(F)(F)CC1)[NH+](CC)CC ZINC001166447060 1383423806 /nfs/dbraw/zinc/42/38/06/1383423806.db2.gz GTCMLGAXNJUJMN-MRXNPFEDSA-N 2 0 347.494 3.028 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC001166851547 1383487886 /nfs/dbraw/zinc/48/78/86/1383487886.db2.gz CUARHSQAWVDZMQ-IRXDYDNUSA-N 2 0 339.911 3.227 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CC2(CCNC(=O)CC[NH+](C)C)CC2)c1 ZINC001166987797 1383510779 /nfs/dbraw/zinc/51/07/79/1383510779.db2.gz VOSYNSPERFMEOV-SFHVURJKSA-N 2 0 345.531 3.192 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167225761 1383571124 /nfs/dbraw/zinc/57/11/24/1383571124.db2.gz ZVRTYYFCSMSMRJ-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)C1 ZINC001167240752 1383573401 /nfs/dbraw/zinc/57/34/01/1383573401.db2.gz RIXSIVNVHARVCD-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167392122 1383621009 /nfs/dbraw/zinc/62/10/09/1383621009.db2.gz XOHBGNPXYLUOJQ-WAYWQWQTSA-N 2 0 349.563 3.341 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167471019 1383643262 /nfs/dbraw/zinc/64/32/62/1383643262.db2.gz POKCBLPAEJLGPL-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)[NH+]1CCCCCC1 ZINC001167609325 1383688859 /nfs/dbraw/zinc/68/88/59/1383688859.db2.gz NEWSAKIBNDOSML-PMTSLALWSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167627924 1383693314 /nfs/dbraw/zinc/69/33/14/1383693314.db2.gz UYNUWMQCVGBIMF-HXUWFJFHSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001167634205 1383693956 /nfs/dbraw/zinc/69/39/56/1383693956.db2.gz GKHIDZBRNHLCKH-QFBILLFUSA-N 2 0 349.494 3.246 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001167737209 1383725787 /nfs/dbraw/zinc/72/57/87/1383725787.db2.gz OOSIHNRBHWRPEK-KRWDZBQOSA-N 2 0 337.552 3.031 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742814 1383727181 /nfs/dbraw/zinc/72/71/81/1383727181.db2.gz YGERHRDVAUEESU-WYNBNGFRSA-N 2 0 349.563 3.339 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001167823774 1383749404 /nfs/dbraw/zinc/74/94/04/1383749404.db2.gz FICNHHTXSPIYQF-YSIASYRMSA-N 2 0 338.536 3.157 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001167827026 1383750734 /nfs/dbraw/zinc/75/07/34/1383750734.db2.gz ROQLYGSNYZBHBS-RYRKJORJSA-N 2 0 349.544 3.153 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC001167827224 1383750828 /nfs/dbraw/zinc/75/08/28/1383750828.db2.gz UYSADJSJLBIPFU-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCOC[C@H]2COC)CC1 ZINC001167828116 1383751045 /nfs/dbraw/zinc/75/10/45/1383751045.db2.gz WKOVIWGIJOXGAO-RTBURBONSA-N 2 0 340.552 3.262 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2cccc(OC)n2)C1 ZINC001167833765 1383753433 /nfs/dbraw/zinc/75/34/33/1383753433.db2.gz DRBQENJRQAHYQG-IRXDYDNUSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001167835558 1383753961 /nfs/dbraw/zinc/75/39/61/1383753961.db2.gz RHHVYZRVNRUCBS-FUHWJXTLSA-N 2 0 335.492 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001167835662 1383754067 /nfs/dbraw/zinc/75/40/67/1383754067.db2.gz KSTSUPJBSGNZTN-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001167835271 1383754114 /nfs/dbraw/zinc/75/41/14/1383754114.db2.gz QMQIMNBAKAXGIQ-MRXNPFEDSA-N 2 0 336.499 3.290 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001167836353 1383755039 /nfs/dbraw/zinc/75/50/39/1383755039.db2.gz VPMQFLNYJBOVIS-GOSISDBHSA-N 2 0 345.531 3.274 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2nccc(C)n2)CC1 ZINC001167836244 1383755247 /nfs/dbraw/zinc/75/52/47/1383755247.db2.gz YHTBRKWOPLLGHR-QGZVFWFLSA-N 2 0 334.508 3.139 20 0 EGADRP CCOc1cccc(N2CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC2)n1 ZINC001167838084 1383755750 /nfs/dbraw/zinc/75/57/50/1383755750.db2.gz PNBLXLHZNFRXJZ-GOSISDBHSA-N 2 0 348.535 3.113 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001167838930 1383755961 /nfs/dbraw/zinc/75/59/61/1383755961.db2.gz XDPRBEWYFDROFY-GFCCVEGCSA-N 2 0 332.414 3.231 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)n1ncc2cc(N3CC[NH2+]CC3)ccc21 ZINC001167838173 1383756056 /nfs/dbraw/zinc/75/60/56/1383756056.db2.gz RFUDZJZBZGFBAN-KRWDZBQOSA-N 2 0 343.519 3.129 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001167838070 1383756162 /nfs/dbraw/zinc/75/61/62/1383756162.db2.gz PGRZNWXUWBTDFA-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167967519 1383781059 /nfs/dbraw/zinc/78/10/59/1383781059.db2.gz GMZRLXVUFHZKRU-NTAHMENRSA-N 2 0 348.531 3.351 20 0 EGADRP C[C@H](C[NH3+])CN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974277 1383783374 /nfs/dbraw/zinc/78/33/74/1383783374.db2.gz TZZMQVKUQPQCEE-JIMIUWDKSA-N 2 0 341.543 3.489 20 0 EGADRP CCC(=O)N(CC)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168001510 1383792802 /nfs/dbraw/zinc/79/28/02/1383792802.db2.gz CJONLYFZCIRWSJ-YOFSQIOKSA-N 2 0 347.547 3.115 20 0 EGADRP F[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@H]1[NH+]1CCCCC1 ZINC001168004901 1383794395 /nfs/dbraw/zinc/79/43/95/1383794395.db2.gz BMVDBHIVESGGMM-SPYJTGKRSA-N 2 0 349.538 3.290 20 0 EGADRP C[C@@H]1C[C@@H](N(CC[NH3+])c2ccccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168017407 1383797534 /nfs/dbraw/zinc/79/75/34/1383797534.db2.gz AIDHYNZDNIQIOA-OPVJXMOQSA-N 2 0 338.499 3.288 20 0 EGADRP Cc1c(CC[NH3+])c(=O)[nH]n1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168018797 1383798751 /nfs/dbraw/zinc/79/87/51/1383798751.db2.gz DSKVFJLTKZAHRZ-HUUCEWRRSA-N 2 0 342.487 3.012 20 0 EGADRP COC(CCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC001168024305 1383799150 /nfs/dbraw/zinc/79/91/50/1383799150.db2.gz DZCQCWVLZOOPBY-IAGOWNOFSA-N 2 0 334.504 3.417 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001168029139 1383800443 /nfs/dbraw/zinc/80/04/43/1383800443.db2.gz CRUOMZQDMSHCAW-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[C@](O)(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC001168265982 1383856537 /nfs/dbraw/zinc/85/65/37/1383856537.db2.gz ZEQDOVCRPHNVHE-VLCRHTCISA-N 2 0 342.527 3.479 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001168290835 1383865290 /nfs/dbraw/zinc/86/52/90/1383865290.db2.gz KILCPEMUBKQWSR-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001168297894 1383866898 /nfs/dbraw/zinc/86/68/98/1383866898.db2.gz MTEHRANSVYSNCJ-UHFFFAOYSA-N 2 0 348.491 3.391 20 0 EGADRP CC[C@]1([NH2+]C2CCC([NH+](C)C)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001168311931 1383870784 /nfs/dbraw/zinc/87/07/84/1383870784.db2.gz FQCBWQQBPNMOFT-RJYAGPCLSA-N 2 0 339.524 3.238 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168326816 1383873196 /nfs/dbraw/zinc/87/31/96/1383873196.db2.gz LYZFXRMJDZZRRG-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)CC1 ZINC001168323429 1383873204 /nfs/dbraw/zinc/87/32/04/1383873204.db2.gz YXZDIUMNTXRPOG-UHFFFAOYSA-N 2 0 341.499 3.235 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001168324598 1383873234 /nfs/dbraw/zinc/87/32/34/1383873234.db2.gz QVBRYGDTWNWUMJ-FHZKDXSVSA-N 2 0 336.520 3.301 20 0 EGADRP [NH3+]CCCN1CC[NH+](C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168335983 1383876676 /nfs/dbraw/zinc/87/66/76/1383876676.db2.gz UQDJGQBRWZCPBF-UHFFFAOYSA-N 2 0 335.923 3.333 20 0 EGADRP [NH3+]CCN(C1CC[NH+](CC2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001168362749 1383883413 /nfs/dbraw/zinc/88/34/13/1383883413.db2.gz GMSMPNVVULLAGN-UHFFFAOYSA-N 2 0 331.548 3.090 20 0 EGADRP Fc1ccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)cc1 ZINC001168369141 1383886721 /nfs/dbraw/zinc/88/67/21/1383886721.db2.gz XVWDKYUPPCYHCL-UHFFFAOYSA-N 2 0 332.463 3.295 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC001168369105 1383886868 /nfs/dbraw/zinc/88/68/68/1383886868.db2.gz WORXYADNLSIKCA-QGZVFWFLSA-N 2 0 332.513 3.176 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCN(C4CC[NH+](CC5CC5)CC4)[C@H]3C2)cc1 ZINC001168394801 1383895030 /nfs/dbraw/zinc/89/50/30/1383895030.db2.gz HQBJPJAHTYYDDS-IRLDBZIGSA-N 2 0 339.527 3.067 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CC2CCCCCC2)cc1 ZINC001168433500 1383904955 /nfs/dbraw/zinc/90/49/55/1383904955.db2.gz BZGMARZPAFYSII-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001306909388 1383919389 /nfs/dbraw/zinc/91/93/89/1383919389.db2.gz KETJNIQELYPPAO-PXNSSMCTSA-N 2 0 345.531 3.346 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]CCC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168575541 1383939918 /nfs/dbraw/zinc/93/99/18/1383939918.db2.gz HFEPVBOTWGIGFA-QUCCMNQESA-N 2 0 332.488 3.237 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168592119 1383943981 /nfs/dbraw/zinc/94/39/81/1383943981.db2.gz XVGNMXWVHALLST-QUCCMNQESA-N 2 0 332.488 3.379 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CN1C(=O)OC(C)(C)C ZINC001168805388 1384012355 /nfs/dbraw/zinc/01/23/55/1384012355.db2.gz HBZKPAYETVSZBC-NVXWUHKLSA-N 2 0 339.524 3.368 20 0 EGADRP C[C@H]1C[C@@H](n2cc(CC[NH3+])c3c[nH+]ccc32)CN1C(=O)OC(C)(C)C ZINC001168829484 1384022234 /nfs/dbraw/zinc/02/22/34/1384022234.db2.gz NTCDLXBARIVYQN-DZGCQCFKSA-N 2 0 344.459 3.108 20 0 EGADRP CCCCN(C[C@H](O)C[N@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966342 1384064677 /nfs/dbraw/zinc/06/46/77/1384064677.db2.gz HGNKBAKCYYNDFJ-GOSISDBHSA-N 2 0 341.584 3.099 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3)CCOCC1)C2 ZINC001169109525 1384108885 /nfs/dbraw/zinc/10/88/85/1384108885.db2.gz CQCFHGOXVVTHRF-ACDBMABISA-N 2 0 328.500 3.241 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129938 1384110891 /nfs/dbraw/zinc/11/08/91/1384110891.db2.gz MGMWMQWUGJWBJV-XLSPSMHOSA-N 2 0 349.519 3.087 20 0 EGADRP COc1cccc(OCC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169152685 1384115477 /nfs/dbraw/zinc/11/54/77/1384115477.db2.gz DHASMJLHTOWKRQ-REPLKXPHSA-N 2 0 344.499 3.411 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](c2ccccc2)C1 ZINC001169155102 1384116449 /nfs/dbraw/zinc/11/64/49/1384116449.db2.gz YBZJYFMPYQVUQD-SLHNCBLASA-N 2 0 342.483 3.238 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(Cc3ccc(OC)cc3)CCOCC2)CC1 ZINC001169241674 1384126564 /nfs/dbraw/zinc/12/65/64/1384126564.db2.gz YVHNZRCUQMDPTK-UHFFFAOYSA-N 2 0 346.515 3.108 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2ccc(Oc3ccccc3)nc2)CC1 ZINC001169240745 1384126595 /nfs/dbraw/zinc/12/65/95/1384126595.db2.gz CTORUNHHLBVRPM-UHFFFAOYSA-N 2 0 325.456 3.490 20 0 EGADRP CC[NH+]1CCC(N2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130293 /nfs/dbraw/zinc/13/02/93/1384130293.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 2 0 341.543 3.315 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169273869 1384130747 /nfs/dbraw/zinc/13/07/47/1384130747.db2.gz ZBTXXDGDOPZKGQ-LMDPOFIKSA-N 2 0 330.472 3.229 20 0 EGADRP Cc1ccnc(CCNc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)c1 ZINC001169319459 1384135858 /nfs/dbraw/zinc/13/58/58/1384135858.db2.gz BFWUVJNQRXCSIH-UHFFFAOYSA-N 2 0 338.499 3.215 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC001308633776 1384138043 /nfs/dbraw/zinc/13/80/43/1384138043.db2.gz CATZDPFFATYZGV-QUCCMNQESA-N 2 0 329.532 3.361 20 0 EGADRP Cc1cc(N[C@@H]2CCC[N@H+](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001308685127 1384142228 /nfs/dbraw/zinc/14/22/28/1384142228.db2.gz KUQLTVCONFQRLB-GOSISDBHSA-N 2 0 330.520 3.032 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@@H](C)C3)C[C@H]2C)C1 ZINC001169511528 1384155599 /nfs/dbraw/zinc/15/55/99/1384155599.db2.gz WIYPPXMGCJGXKP-KEBAROOYSA-N 2 0 349.563 3.155 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001169652496 1384169064 /nfs/dbraw/zinc/16/90/64/1384169064.db2.gz PUMRPNSGINPNCZ-DLBZAZTESA-N 2 0 327.513 3.098 20 0 EGADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169733727 1384180490 /nfs/dbraw/zinc/18/04/90/1384180490.db2.gz OFPDYQONSWQNIX-QGZVFWFLSA-N 2 0 341.540 3.345 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001169798913 1384187307 /nfs/dbraw/zinc/18/73/07/1384187307.db2.gz SPKVIAZWCVFQCD-ICSRJNTNSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809734 1384187651 /nfs/dbraw/zinc/18/76/51/1384187651.db2.gz JVOPMDPJJFQKML-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808734 1384187863 /nfs/dbraw/zinc/18/78/63/1384187863.db2.gz DLBCNIACSXGYCX-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)C2CC[NH+](C(C)C)CC2)cc1C ZINC001169948510 1384202651 /nfs/dbraw/zinc/20/26/51/1384202651.db2.gz OVIBSHQIFXHTQT-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCC(C)CC2)CC1 ZINC001169948822 1384202729 /nfs/dbraw/zinc/20/27/29/1384202729.db2.gz SVDDYNRPRBMFDA-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC2(C1)OCCO2 ZINC001169954461 1384204018 /nfs/dbraw/zinc/20/40/18/1384204018.db2.gz ATHSEHIHDZFEGU-PMACEKPBSA-N 2 0 344.499 3.126 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)CCO1 ZINC001170193719 1384260882 /nfs/dbraw/zinc/26/08/82/1384260882.db2.gz SAIISNPWNUJUNY-BSKKSYLPSA-N 2 0 336.460 3.080 20 0 EGADRP Cc1cncc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528734 1384335882 /nfs/dbraw/zinc/33/58/82/1384335882.db2.gz VDYMQBVTMLPKOJ-UHFFFAOYSA-N 2 0 334.467 3.300 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170559496 1384341994 /nfs/dbraw/zinc/34/19/94/1384341994.db2.gz ACYMLJZNDLSUOR-WOJBJXKFSA-N 2 0 344.499 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001170784157 1384384649 /nfs/dbraw/zinc/38/46/49/1384384649.db2.gz FNLQOUASTADORL-AZUAARDMSA-N 2 0 345.531 3.498 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170815950 1384390770 /nfs/dbraw/zinc/39/07/70/1384390770.db2.gz CIDYOYWHBHDXBK-QFBILLFUSA-N 2 0 337.552 3.029 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1CCCOCC1)CC2 ZINC001170821989 1384392157 /nfs/dbraw/zinc/39/21/57/1384392157.db2.gz QPCKGHIOTCXEQI-LJQANCHMSA-N 2 0 343.515 3.327 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863385 1384400809 /nfs/dbraw/zinc/40/08/09/1384400809.db2.gz WHQNXNPKFBWOMO-NCPJDUFYSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170864068 1384400855 /nfs/dbraw/zinc/40/08/55/1384400855.db2.gz ZYSBWXBULRVXDR-YQVWRLOYSA-N 2 0 335.536 3.092 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cncc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC001170903422 1384407797 /nfs/dbraw/zinc/40/77/97/1384407797.db2.gz JQXCJBTYBQZPBJ-OAHLLOKOSA-N 2 0 340.349 3.083 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170917306 1384411071 /nfs/dbraw/zinc/41/10/71/1384411071.db2.gz QDEXUDWEGKBCLA-SFHVURJKSA-N 2 0 349.950 3.157 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170968254 1384419917 /nfs/dbraw/zinc/41/99/17/1384419917.db2.gz CGPHFWGMKYBROV-INIZCTEOSA-N 2 0 335.511 3.158 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001171246019 1384477687 /nfs/dbraw/zinc/47/76/87/1384477687.db2.gz DDVXUBDRITUSBO-XLIONFOSSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171248315 1384478160 /nfs/dbraw/zinc/47/81/60/1384478160.db2.gz SERGLIOLNYEUQC-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001171261583 1384481494 /nfs/dbraw/zinc/48/14/94/1384481494.db2.gz VTEPQRLZMIILOF-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001316619018 1384485188 /nfs/dbraw/zinc/48/51/88/1384485188.db2.gz XRYVJIHHZGQXQW-RNQOJCNYSA-N 2 0 345.531 3.208 20 0 EGADRP Cn1cncc1-c1cccc(NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001171283304 1384485305 /nfs/dbraw/zinc/48/53/05/1384485305.db2.gz AZXLBLPCQMGTQD-UHFFFAOYSA-N 2 0 347.466 3.109 20 0 EGADRP c1ccc(N2CC[NH2+]CC2)c(CNc2cccc(C3=[NH+]CCC3)c2)c1 ZINC001171288911 1384486600 /nfs/dbraw/zinc/48/66/00/1384486600.db2.gz RPRMJQSSFXUFTK-UHFFFAOYSA-N 2 0 334.467 3.291 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001316630838 1384493815 /nfs/dbraw/zinc/49/38/15/1384493815.db2.gz ZGZJEPJAQVHGBH-VJANTYMQSA-N 2 0 349.563 3.172 20 0 EGADRP FC(F)(F)c1cnc(NC[C@@H]2CCCC[NH2+]2)c(C2=CC[NH2+]CC2)c1 ZINC001171331165 1384496212 /nfs/dbraw/zinc/49/62/12/1384496212.db2.gz ZXZZHJONJOMYGY-AWEZNQCLSA-N 2 0 340.393 3.031 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(NC[C@H]2CCCC[NH2+]2)c1 ZINC001171341342 1384497667 /nfs/dbraw/zinc/49/76/67/1384497667.db2.gz WMFVRYCBXAAVJQ-CYBMUJFWSA-N 2 0 326.282 3.065 20 0 EGADRP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001335764560 1388926676 /nfs/dbraw/zinc/92/66/76/1388926676.db2.gz OBCOFAGIXNOCJJ-DODZYUBVSA-N 2 0 336.520 3.208 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CCc4c(F)cccc4C3)CC2)cc[nH+]1 ZINC001171445019 1384524681 /nfs/dbraw/zinc/52/46/81/1384524681.db2.gz HKCOZTSYMSEZIR-QGZVFWFLSA-N 2 0 325.431 3.209 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508725 1384545416 /nfs/dbraw/zinc/54/54/16/1384545416.db2.gz HHQUKUGWDYQMTQ-JLAWEPINSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCCc1ccccc1)[NH+](C)C ZINC001171508542 1384545844 /nfs/dbraw/zinc/54/58/44/1384545844.db2.gz FKNNPVOXJVMSSB-UYAOXDASSA-N 2 0 347.547 3.224 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001171509107 1384545888 /nfs/dbraw/zinc/54/58/88/1384545888.db2.gz MFHSFFPYQRWWOE-FUHWJXTLSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001171510214 1384547044 /nfs/dbraw/zinc/54/70/44/1384547044.db2.gz ZVXWZDPKEXHUAG-NVXWUHKLSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171537538 1384555760 /nfs/dbraw/zinc/55/57/60/1384555760.db2.gz DSKVHJFYMFSIJH-UYAOXDASSA-N 2 0 345.531 3.244 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171613451 1384580739 /nfs/dbraw/zinc/58/07/39/1384580739.db2.gz KDJRZYJCNUKOMN-AWEZNQCLSA-N 2 0 339.524 3.237 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)Cc2ccccc2Cl)CC1(C)C ZINC001171623429 1384583115 /nfs/dbraw/zinc/58/31/15/1384583115.db2.gz YJLVBYLEDDPGEV-HNNXBMFYSA-N 2 0 338.923 3.484 20 0 EGADRP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626331 1384584441 /nfs/dbraw/zinc/58/44/41/1384584441.db2.gz YWPVPKLTUZCKPP-AWEZNQCLSA-N 2 0 341.540 3.388 20 0 EGADRP C[NH+]1C(C)(C)CC(N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1(C)C ZINC001171626824 1384584702 /nfs/dbraw/zinc/58/47/02/1384584702.db2.gz CJVHVUWUZDGEOJ-WKILWMFISA-N 2 0 345.535 3.204 20 0 EGADRP Cc1c(C(=O)N[C@H](C)CCCC[NH2+]CC[C@@H](C)F)ccc2c[nH+]cn21 ZINC001171629345 1384585558 /nfs/dbraw/zinc/58/55/58/1384585558.db2.gz LXKLBMBNFSQQJB-HUUCEWRRSA-N 2 0 348.466 3.269 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC1(C)C ZINC001171637908 1384587731 /nfs/dbraw/zinc/58/77/31/1384587731.db2.gz SAOZFINNSHUCCM-KRWDZBQOSA-N 2 0 335.536 3.115 20 0 EGADRP Cc1ccnc(OC2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n1 ZINC001171641260 1384589730 /nfs/dbraw/zinc/58/97/30/1384589730.db2.gz NVZZZZZJKRAPSK-UHFFFAOYSA-N 2 0 346.519 3.280 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646292 1384591238 /nfs/dbraw/zinc/59/12/38/1384591238.db2.gz LDFWKAPWVXMVMB-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744837 1384623681 /nfs/dbraw/zinc/62/36/81/1384623681.db2.gz IHMJFDJTSGTUAS-UKAVVXHISA-N 2 0 329.532 3.358 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC001171763206 1384628472 /nfs/dbraw/zinc/62/84/72/1384628472.db2.gz VLQFTZQKGLQGLJ-QGZVFWFLSA-N 2 0 339.911 3.229 20 0 EGADRP C[C@H]1C[C@H](N2CC[NH+](C)CC23CCCC3)C[N@@H+]1Cc1ccccc1 ZINC001171767544 1384629963 /nfs/dbraw/zinc/62/99/63/1384629963.db2.gz PAUDEAYFKGRAQD-ICSRJNTNSA-N 2 0 327.516 3.210 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001171770379 1384631200 /nfs/dbraw/zinc/63/12/00/1384631200.db2.gz PHHYHTKFXCEVGL-KRWDZBQOSA-N 2 0 341.499 3.339 20 0 EGADRP O=C(c1ccccc1)N1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC001171869865 1384666512 /nfs/dbraw/zinc/66/65/12/1384666512.db2.gz FLFGIOPDACAISH-FQEVSTJZSA-N 2 0 343.515 3.147 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171924241 1384683883 /nfs/dbraw/zinc/68/38/83/1384683883.db2.gz MQMMDQDCOJNZBV-IEBWSBKVSA-N 2 0 337.552 3.316 20 0 EGADRP CCOC(=O)C1(C)CCC([NH2+]CC2CC[NH+](C3CCC3)CC2)CC1 ZINC001171943721 1384691687 /nfs/dbraw/zinc/69/16/87/1384691687.db2.gz FMHHXDPHANWOSJ-UHFFFAOYSA-N 2 0 336.520 3.353 20 0 EGADRP CC1(C)C[C@H](NCC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171965840 1384697694 /nfs/dbraw/zinc/69/76/94/1384697694.db2.gz JOUKOTXCWVMXLJ-LJQANCHMSA-N 2 0 343.515 3.078 20 0 EGADRP CC(=O)NCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974521 1384701089 /nfs/dbraw/zinc/70/10/89/1384701089.db2.gz HLVVMGSTHIFMMO-FQEVSTJZSA-N 2 0 345.531 3.326 20 0 EGADRP CC1(C)C[C@H]([NH+]2CC[C@@H](O)[C@H](F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977902 1384702033 /nfs/dbraw/zinc/70/20/33/1384702033.db2.gz USGRJQYOTPEMQY-GUDVDZBRSA-N 2 0 334.479 3.224 20 0 EGADRP CC1(C)C[C@@H](N2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984251 1384703153 /nfs/dbraw/zinc/70/31/53/1384703153.db2.gz JSBCQIVBVAKWQI-NRFANRHFSA-N 2 0 341.543 3.457 20 0 EGADRP CSCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061672 1384715349 /nfs/dbraw/zinc/71/53/49/1384715349.db2.gz IJFBKUAJLMJWPM-HAGHYFMRSA-N 2 0 348.556 3.276 20 0 EGADRP OCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172065163 1384716774 /nfs/dbraw/zinc/71/67/74/1384716774.db2.gz LYPONTDZMDUFSQ-ACDBMABISA-N 2 0 328.500 3.467 20 0 EGADRP CN([C@@H]1CC[N@H+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074547 1384719233 /nfs/dbraw/zinc/71/92/33/1384719233.db2.gz JEIPQTZRCGRNPM-MHTWAQMVSA-N 2 0 327.516 3.208 20 0 EGADRP [NH3+][C@H]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172078040 1384721720 /nfs/dbraw/zinc/72/17/20/1384721720.db2.gz XBBRXTYPXBQCRM-FCMAGTKHSA-N 2 0 327.516 3.432 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103606 1384726868 /nfs/dbraw/zinc/72/68/68/1384726868.db2.gz WFUHTWDTNKGTQY-XSDIEEQYSA-N 2 0 327.516 3.256 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1CCN(C(=O)C(C)(C)C)CC1)C2 ZINC001172105943 1384727814 /nfs/dbraw/zinc/72/78/14/1384727814.db2.gz LMHWJXBCWNAGGC-LDLYASANSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc(Br)cc1C[NH3+])C2 ZINC001172112676 1384730980 /nfs/dbraw/zinc/73/09/80/1384730980.db2.gz ZBHDUQNJDIKEQY-QKDCVEJESA-N 2 0 338.293 3.335 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109622 1384730163 /nfs/dbraw/zinc/73/01/63/1384730163.db2.gz HXKRPQJJJUDBHD-WARAAXDBSA-N 2 0 342.531 3.169 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]31)C2 ZINC001172118044 1384732866 /nfs/dbraw/zinc/73/28/66/1384732866.db2.gz UFPROLXCRUVMBK-KXXIFBCNSA-N 2 0 348.531 3.050 20 0 EGADRP Cc1cc(F)ccc1CN1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172236288 1384753401 /nfs/dbraw/zinc/75/34/01/1384753401.db2.gz JYDQLEMBWLAUIS-IHWFROFDSA-N 2 0 330.447 3.174 20 0 EGADRP CC1(C)C[C@@H](n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)CO1 ZINC001172277933 1384757673 /nfs/dbraw/zinc/75/76/73/1384757673.db2.gz NIANUNKMDBIVAW-GOSISDBHSA-N 2 0 341.499 3.347 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172337287 1384773409 /nfs/dbraw/zinc/77/34/09/1384773409.db2.gz PANGDHXFTXIYRG-MSOLQXFVSA-N 2 0 333.520 3.477 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001172350400 1384775704 /nfs/dbraw/zinc/77/57/04/1384775704.db2.gz YEJZGKSCCUYUNG-IAGOWNOFSA-N 2 0 326.525 3.155 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[NH+](C)CC2)C[C@@H]1C ZINC001172357349 1384777101 /nfs/dbraw/zinc/77/71/01/1384777101.db2.gz CQQDEJPMVJZGAT-LQWHRVPQSA-N 2 0 329.532 3.348 20 0 EGADRP CC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001172401286 1384784989 /nfs/dbraw/zinc/78/49/89/1384784989.db2.gz LSWUVGDPOWBLQA-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172599823 1384817298 /nfs/dbraw/zinc/81/72/98/1384817298.db2.gz XJSQIDLFVXCQLE-MSOLQXFVSA-N 2 0 336.520 3.353 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1)C1CCCCC1 ZINC001317061240 1384833155 /nfs/dbraw/zinc/83/31/55/1384833155.db2.gz LFSMTHWHBCYOFQ-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001172781394 1384851065 /nfs/dbraw/zinc/85/10/65/1384851065.db2.gz WYWOOCZWRLOTDE-CRAIPNDOSA-N 2 0 348.462 3.197 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172799731 1384854614 /nfs/dbraw/zinc/85/46/14/1384854614.db2.gz IGTQYYOMTMFUNC-AYHJJNSGSA-N 2 0 349.519 3.157 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([N@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001172804014 1384855706 /nfs/dbraw/zinc/85/57/06/1384855706.db2.gz RRXBPUUJUUUWSU-WMZOPIPTSA-N 2 0 336.520 3.447 20 0 EGADRP CO[C@@H]1CCC[C@@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)C1 ZINC001172914354 1384877208 /nfs/dbraw/zinc/87/72/08/1384877208.db2.gz BMKRVPQWWPGPJW-HUUCEWRRSA-N 2 0 326.506 3.122 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172955381 1384889438 /nfs/dbraw/zinc/88/94/38/1384889438.db2.gz WASRECQAQFJWMS-UXHICEINSA-N 2 0 339.568 3.074 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173063127 1384905211 /nfs/dbraw/zinc/90/52/11/1384905211.db2.gz XARQYUMYDDBSEO-WCXIOVBPSA-N 2 0 339.524 3.237 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173063124 1384905246 /nfs/dbraw/zinc/90/52/46/1384905246.db2.gz XARQYUMYDDBSEO-NXOAAHMSSA-N 2 0 339.524 3.237 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCc2cc(OC)cc(OC)c2)CC1 ZINC001173106038 1384915447 /nfs/dbraw/zinc/91/54/47/1384915447.db2.gz ZVQXBZBIGSUCKU-UHFFFAOYSA-N 2 0 334.504 3.489 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CO)c2cc(F)cc(F)c2)CC1 ZINC001173106355 1384915598 /nfs/dbraw/zinc/91/55/98/1384915598.db2.gz MRIHSDGXPVAWMZ-ABHNRTSZSA-N 2 0 326.431 3.241 20 0 EGADRP CCOC(=O)C1(F)CC[NH+](C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173112310 1384916779 /nfs/dbraw/zinc/91/67/79/1384916779.db2.gz UUKJJPSTKBGTCB-UHFFFAOYSA-N 2 0 328.472 3.007 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC1 ZINC001173111293 1384917316 /nfs/dbraw/zinc/91/73/16/1384917316.db2.gz VCYVADMBBFPVFD-BPZDKFOGSA-N 2 0 341.499 3.235 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC001173113926 1384917728 /nfs/dbraw/zinc/91/77/28/1384917728.db2.gz PDXASEOLPHPVCP-CTWPCTMYSA-N 2 0 331.504 3.496 20 0 EGADRP c1nc2c(s1)C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001173122294 1384918687 /nfs/dbraw/zinc/91/86/87/1384918687.db2.gz XEBHWNWRAQPLRP-IAGOWNOFSA-N 2 0 327.497 3.112 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](CC(C)(C)C)CC1)CO2 ZINC001173150887 1384925118 /nfs/dbraw/zinc/92/51/18/1384925118.db2.gz POLACPLDJKRIPX-KRWDZBQOSA-N 2 0 346.515 3.346 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001317178586 1384952914 /nfs/dbraw/zinc/95/29/14/1384952914.db2.gz CCBOHNACQGCUIA-IBGZPJMESA-N 2 0 349.494 3.028 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC([NH+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001173366925 1384965694 /nfs/dbraw/zinc/96/56/94/1384965694.db2.gz CAFZKMPDDVSGBJ-LJQANCHMSA-N 2 0 335.923 3.330 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001173441956 1384971085 /nfs/dbraw/zinc/97/10/85/1384971085.db2.gz BKWYHDNLRQLVEN-INIZCTEOSA-N 2 0 348.487 3.067 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]CCC[NH+]1CCC(C)CC1)CC2 ZINC001173599558 1384985023 /nfs/dbraw/zinc/98/50/23/1384985023.db2.gz PCIKPNFCIIYOCR-QPIRBTGLSA-N 2 0 336.520 3.210 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)C1 ZINC001173629531 1384991471 /nfs/dbraw/zinc/99/14/71/1384991471.db2.gz ASXMRFZKOYGZBJ-RBUKOAKNSA-N 2 0 336.520 3.210 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173658564 1384998376 /nfs/dbraw/zinc/99/83/76/1384998376.db2.gz QSSADFRCGHPCSZ-YDZRNGNQSA-N 2 0 336.520 3.447 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](CC(C)C)CC2)cc1 ZINC001173721889 1385009371 /nfs/dbraw/zinc/00/93/71/1385009371.db2.gz QQRMIWPCWQQEMS-QGZVFWFLSA-N 2 0 346.515 3.362 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001174804672 1385151292 /nfs/dbraw/zinc/15/12/92/1385151292.db2.gz CFHBETSSSVHWSC-MGBKSAOESA-N 2 0 337.552 3.482 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928840 1385170959 /nfs/dbraw/zinc/17/09/59/1385170959.db2.gz MGCBFMLQGSFXHA-INIZCTEOSA-N 2 0 337.508 3.410 20 0 EGADRP Cc1ccc(CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001175048609 1385186092 /nfs/dbraw/zinc/18/60/92/1385186092.db2.gz IYZOASJNPWWGCW-LJQANCHMSA-N 2 0 347.547 3.144 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H]1CCc2c1cccc2F)NC(=O)CC[NH+](C)C ZINC001175048060 1385186145 /nfs/dbraw/zinc/18/61/45/1385186145.db2.gz FSEHKTFYXFYYEQ-DNVCBOLYSA-N 2 0 349.494 3.029 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C)[NH+](CC)CC ZINC001175217030 1385223092 /nfs/dbraw/zinc/22/30/92/1385223092.db2.gz DPDXFYZQCGTDBY-ROUUACIJSA-N 2 0 325.541 3.338 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257337 1385232010 /nfs/dbraw/zinc/23/20/10/1385232010.db2.gz ZOKCEKJHQQRSJE-IRXDYDNUSA-N 2 0 349.494 3.075 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265523 1385235580 /nfs/dbraw/zinc/23/55/80/1385235580.db2.gz ZIARIXMRLOPBDR-SFHVURJKSA-N 2 0 347.547 3.469 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273743 1385237859 /nfs/dbraw/zinc/23/78/59/1385237859.db2.gz VPXCMSKQZYPWFX-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273797 1385238206 /nfs/dbraw/zinc/23/82/06/1385238206.db2.gz WOPRCKZYXVTMEJ-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCc1ccc(C)cc1)[NH+](C)C ZINC001175317839 1385250743 /nfs/dbraw/zinc/25/07/43/1385250743.db2.gz RJAQVLSMDMSJLD-ICSRJNTNSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001175571444 1385334754 /nfs/dbraw/zinc/33/47/54/1385334754.db2.gz BJSMUUWVXIHLLZ-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581333 1385338867 /nfs/dbraw/zinc/33/88/67/1385338867.db2.gz KQHWZYDVPFTSDA-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175875137 1385427584 /nfs/dbraw/zinc/42/75/84/1385427584.db2.gz YINXSSXHSFZDHD-UEKDZROGSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874762 1385427589 /nfs/dbraw/zinc/42/75/89/1385427589.db2.gz WALBVBXRCRGBHD-JLAWEPINSA-N 2 0 337.552 3.029 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc3scnc3c2)CC1 ZINC001175912400 1385435642 /nfs/dbraw/zinc/43/56/42/1385435642.db2.gz MYBFMUVHRLKJSE-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967888 1385447639 /nfs/dbraw/zinc/44/76/39/1385447639.db2.gz OVLLORLUYBMILP-ZWKOTPCHSA-N 2 0 339.568 3.418 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC[C@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001317801877 1385495927 /nfs/dbraw/zinc/49/59/27/1385495927.db2.gz FLDQNOVKFGOHLF-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176167026 1385500593 /nfs/dbraw/zinc/50/05/93/1385500593.db2.gz WFHWVBZBWHYLLC-MSOLQXFVSA-N 2 0 325.541 3.029 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165212 1385501025 /nfs/dbraw/zinc/50/10/25/1385501025.db2.gz JKQNHZFPDNHIFD-MSOLQXFVSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001317808118 1385503893 /nfs/dbraw/zinc/50/38/93/1385503893.db2.gz CJWYHLHTZXTCPQ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185212 1385505975 /nfs/dbraw/zinc/50/59/75/1385505975.db2.gz UHOLHQSSSDRXEG-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176269245 1385532660 /nfs/dbraw/zinc/53/26/60/1385532660.db2.gz SSENIKYOWSVFPJ-IBGZPJMESA-N 2 0 347.547 3.492 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176269742 1385533253 /nfs/dbraw/zinc/53/32/53/1385533253.db2.gz XAGOTLXLGYXYDQ-MRXNPFEDSA-N 2 0 339.549 3.245 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)c1 ZINC001176753673 1385684439 /nfs/dbraw/zinc/68/44/39/1385684439.db2.gz KEBXJVVJBCNQQL-LJQANCHMSA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176754384 1385684452 /nfs/dbraw/zinc/68/44/52/1385684452.db2.gz UHQCLDVIMZSELI-PXNSSMCTSA-N 2 0 345.531 3.279 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760306 1385686975 /nfs/dbraw/zinc/68/69/75/1385686975.db2.gz UKUWKMVVUIPZIZ-OXUXSNCKSA-N 2 0 337.552 3.482 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001176885071 1385731606 /nfs/dbraw/zinc/73/16/06/1385731606.db2.gz ZZSWSNJQKLNDPX-IBGZPJMESA-N 2 0 349.494 3.249 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001176980614 1385762396 /nfs/dbraw/zinc/76/23/96/1385762396.db2.gz LRRKCIGOAUDHBK-UHFFFAOYSA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997612 1385769004 /nfs/dbraw/zinc/76/90/04/1385769004.db2.gz UARHXDIUPCUBOT-OALUTQOASA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001176998857 1385769164 /nfs/dbraw/zinc/76/91/64/1385769164.db2.gz IMIUVMGQMDYPJD-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1ccc(C)cc1 ZINC001698619620 1406255543 /nfs/dbraw/zinc/25/55/43/1406255543.db2.gz XFPPQSFSSSPGIU-FQEVSTJZSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177316817 1385911157 /nfs/dbraw/zinc/91/11/57/1385911157.db2.gz HNUWHKCGFQKWPJ-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001177317295 1385912126 /nfs/dbraw/zinc/91/21/26/1385912126.db2.gz UABHPTVOBUKDNG-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001177331111 1385917255 /nfs/dbraw/zinc/91/72/55/1385917255.db2.gz HHGHCUKCMVPFEM-UHFFFAOYSA-N 2 0 349.494 3.018 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+]CCC1=CCCCC1 ZINC001177332749 1385917729 /nfs/dbraw/zinc/91/77/29/1385917729.db2.gz RMQZUZFSIHXLNK-UHFFFAOYSA-N 2 0 335.536 3.239 20 0 EGADRP CCC(CC)C[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001319000260 1385918217 /nfs/dbraw/zinc/91/82/17/1385918217.db2.gz LLWKAKDBDVWONN-UHFFFAOYSA-N 2 0 345.531 3.170 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1)C1CC1 ZINC001177339752 1385919782 /nfs/dbraw/zinc/91/97/82/1385919782.db2.gz NDYFEJBHMMPQSR-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001177349107 1385924538 /nfs/dbraw/zinc/92/45/38/1385924538.db2.gz YIAYQQNQVAILPQ-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001177376152 1385934207 /nfs/dbraw/zinc/93/42/07/1385934207.db2.gz XKWJXWUPBYMBHO-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+](C)C ZINC001177404709 1385944792 /nfs/dbraw/zinc/94/47/92/1385944792.db2.gz ARJKARRMVGRSTD-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001177416561 1385949342 /nfs/dbraw/zinc/94/93/42/1385949342.db2.gz SBURKPHMWDGVKO-DYXWJJEUSA-N 2 0 329.532 3.219 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001177433577 1385955437 /nfs/dbraw/zinc/95/54/37/1385955437.db2.gz IGYAIJBDHIYTGN-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177456346 1385962447 /nfs/dbraw/zinc/96/24/47/1385962447.db2.gz RDKRGPLRGRNWMX-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP CSc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001178464443 1386225845 /nfs/dbraw/zinc/22/58/45/1386225845.db2.gz ZAEMLDMEHIHDGW-LJQANCHMSA-N 2 0 342.508 3.265 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001178693505 1386279789 /nfs/dbraw/zinc/27/97/89/1386279789.db2.gz UQNOGHPKWJARQM-QZTJIDSGSA-N 2 0 343.531 3.264 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001178698797 1386282583 /nfs/dbraw/zinc/28/25/83/1386282583.db2.gz VCRIQIJOODEFMN-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178915199 1386347129 /nfs/dbraw/zinc/34/71/29/1386347129.db2.gz AWWAEVHGAVTPRS-RTBURBONSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178920724 1386349583 /nfs/dbraw/zinc/34/95/83/1386349583.db2.gz HCPFGRNZXQLHRM-IBGZPJMESA-N 2 0 337.552 3.339 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178925128 1386350860 /nfs/dbraw/zinc/35/08/60/1386350860.db2.gz CCFSENVVGVATAL-WDSOQIARSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179238820 1386429280 /nfs/dbraw/zinc/42/92/80/1386429280.db2.gz BETDVKDDMMPWSJ-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179382903 1386467982 /nfs/dbraw/zinc/46/79/82/1386467982.db2.gz FBISKFNKSCVOCY-WLMAVBAVSA-N 2 0 337.552 3.339 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001179388483 1386471750 /nfs/dbraw/zinc/47/17/50/1386471750.db2.gz JISQXACZBFZBJR-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CCC2=CCCCC2)CC1 ZINC001179392555 1386472834 /nfs/dbraw/zinc/47/28/34/1386472834.db2.gz HCCAROURLZVWMY-UHFFFAOYSA-N 2 0 349.563 3.485 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001179461565 1386487910 /nfs/dbraw/zinc/48/79/10/1386487910.db2.gz QFQVLYIDLMFFGS-UHFFFAOYSA-N 2 0 339.911 3.058 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C)[NH+](CC)CC ZINC001179521495 1386505040 /nfs/dbraw/zinc/50/50/40/1386505040.db2.gz OTWYPZPDXKBUCJ-YTQUADARSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580599 1386521367 /nfs/dbraw/zinc/52/13/67/1386521367.db2.gz JRGWDBLDSFWSGJ-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179592462 1386526284 /nfs/dbraw/zinc/52/62/84/1386526284.db2.gz CCBOAKNIPVPAJS-QGZVFWFLSA-N 2 0 325.541 3.031 20 0 EGADRP CC1CC(C[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001179592769 1386526381 /nfs/dbraw/zinc/52/63/81/1386526381.db2.gz MTFVBFFJHVDOPE-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179592770 1386526693 /nfs/dbraw/zinc/52/66/93/1386526693.db2.gz MVAUVRPTHJMPBN-AATRIKPKSA-N 2 0 337.552 3.341 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179591649 1386526986 /nfs/dbraw/zinc/52/69/86/1386526986.db2.gz ZRBNNAKTDGTIAH-MJGOQNOKSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001179651041 1386540434 /nfs/dbraw/zinc/54/04/34/1386540434.db2.gz DJJUUTWPKMSXDZ-NSHGMRRFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H]1C ZINC001179763341 1386575583 /nfs/dbraw/zinc/57/55/83/1386575583.db2.gz HWSHZWUBGLQASE-RFQIAEEBSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179776872 1386581394 /nfs/dbraw/zinc/58/13/94/1386581394.db2.gz LJFDIAJOROWSOJ-QGZVFWFLSA-N 2 0 342.487 3.055 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001179846613 1386605967 /nfs/dbraw/zinc/60/59/67/1386605967.db2.gz PIJKISCLQBAOJH-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179851051 1386607786 /nfs/dbraw/zinc/60/77/86/1386607786.db2.gz UABFAYHVPKCPHD-UHFFFAOYSA-N 2 0 337.552 3.485 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCC2CC2)CC1 ZINC001179964828 1386650731 /nfs/dbraw/zinc/65/07/31/1386650731.db2.gz JRQMTXWOPACOJC-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179964984 1386651061 /nfs/dbraw/zinc/65/10/61/1386651061.db2.gz PWRYLOIWAWDEML-SFHVURJKSA-N 2 0 343.531 3.121 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001179989494 1386660050 /nfs/dbraw/zinc/66/00/50/1386660050.db2.gz ZZTIWEPIIUGIFS-SFHVURJKSA-N 2 0 327.557 3.277 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CC2CCCCC2)C1 ZINC001180064947 1386685356 /nfs/dbraw/zinc/68/53/56/1386685356.db2.gz BBRKIKXKJNCVBJ-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180157049 1386716686 /nfs/dbraw/zinc/71/66/86/1386716686.db2.gz SFVFQHAPNJKMHI-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180157080 1386717078 /nfs/dbraw/zinc/71/70/78/1386717078.db2.gz VBKSCTIRISKBRA-WMZOPIPTSA-N 2 0 349.544 3.093 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180365907 1386775090 /nfs/dbraw/zinc/77/50/90/1386775090.db2.gz NWOHSEVDXJNWNK-ARJAWSKDSA-N 2 0 337.552 3.485 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180365761 1386775162 /nfs/dbraw/zinc/77/51/62/1386775162.db2.gz GOWKEMCFCAAVFU-UHFFFAOYSA-N 2 0 325.541 3.319 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001180369663 1386777058 /nfs/dbraw/zinc/77/70/58/1386777058.db2.gz RIEFHRWGWNKIOQ-GOSISDBHSA-N 2 0 333.520 3.354 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001180372931 1386777575 /nfs/dbraw/zinc/77/75/75/1386777575.db2.gz OJUFWQSVSCMKDD-SFHVURJKSA-N 2 0 343.531 3.267 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001180372650 1386777897 /nfs/dbraw/zinc/77/78/97/1386777897.db2.gz FXUOYQVREDZOEU-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2coc3ccccc23)C1 ZINC001180802070 1386877239 /nfs/dbraw/zinc/87/72/39/1386877239.db2.gz MHCQGLLUOBRTEX-IBGZPJMESA-N 2 0 336.435 3.289 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2c1C[N@H+](C)C[C@H]2c1ccccc1)[NH+](C)C ZINC001180862454 1386886321 /nfs/dbraw/zinc/88/63/21/1386886321.db2.gz PJINTOUQLKJFDC-YJBOKZPZSA-N 2 0 337.467 3.153 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCCC1CCCC1 ZINC001180898935 1386894258 /nfs/dbraw/zinc/89/42/58/1386894258.db2.gz GYNSRFQWTARRFR-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001181792700 1387055713 /nfs/dbraw/zinc/05/57/13/1387055713.db2.gz IOHGXJHJHMTKRS-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322229283 1387111099 /nfs/dbraw/zinc/11/10/99/1387111099.db2.gz AAHNOYNUSHPVID-QAPCUYQASA-N 2 0 349.494 3.055 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182231874 1387127408 /nfs/dbraw/zinc/12/74/08/1387127408.db2.gz BSAJYLJNBFIFOJ-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001182598512 1387194318 /nfs/dbraw/zinc/19/43/18/1387194318.db2.gz FURGVTOWYJTEFU-WSTZPKSXSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614184 1387196465 /nfs/dbraw/zinc/19/64/65/1387196465.db2.gz FJPVQASJUDSSDB-VWICVCDTSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1)[NH+](C)C ZINC001698716680 1406360717 /nfs/dbraw/zinc/36/07/17/1406360717.db2.gz IKAOQFYYYIDHCQ-AIIUMHCMSA-N 2 0 343.515 3.057 20 0 EGADRP O=S1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC001336723259 1389146997 /nfs/dbraw/zinc/14/69/97/1389146997.db2.gz VYNKJDGLKBQNRI-UHFFFAOYSA-N 2 0 334.529 3.063 20 0 EGADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001329569424 1389159554 /nfs/dbraw/zinc/15/95/54/1389159554.db2.gz AVEIMYVVVGHYGG-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc2c[nH+]cn21 ZINC001337336578 1389308581 /nfs/dbraw/zinc/30/85/81/1389308581.db2.gz MGIVCCAJURIYTO-FQEVSTJZSA-N 2 0 348.450 3.210 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001330499980 1389432966 /nfs/dbraw/zinc/43/29/66/1389432966.db2.gz PNGLRRNYELYIEJ-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001698749944 1406400886 /nfs/dbraw/zinc/40/08/86/1406400886.db2.gz YDQPOXSLRUNWAV-YJBOKZPZSA-N 2 0 349.494 3.103 20 0 EGADRP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332396870 1390105340 /nfs/dbraw/zinc/10/53/40/1390105340.db2.gz RJVACJGQQIYUDK-KSSFIOAISA-N 2 0 334.891 3.466 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001332897948 1390211930 /nfs/dbraw/zinc/21/19/30/1390211930.db2.gz FKPJMAQKXJVNSV-GOSISDBHSA-N 2 0 333.520 3.138 20 0 EGADRP C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC001340049079 1390215669 /nfs/dbraw/zinc/21/56/69/1390215669.db2.gz LSTAZNFZNUSYMK-SJORKVTESA-N 2 0 331.504 3.047 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340155189 1390238519 /nfs/dbraw/zinc/23/85/19/1390238519.db2.gz MKGMRKFXNIDVNW-KRWDZBQOSA-N 2 0 335.492 3.109 20 0 EGADRP CC(C)(C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC001341526974 1390498243 /nfs/dbraw/zinc/49/82/43/1390498243.db2.gz SOYLHXAQEVEXHN-VQIMIIECSA-N 2 0 337.467 3.192 20 0 EGADRP C[C@@H]1CCCN(Cc2csc(NC(=O)C[C@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629115 1390511869 /nfs/dbraw/zinc/51/18/69/1390511869.db2.gz AYCWKUOYHFXJTC-OCCSQVGLSA-N 2 0 338.521 3.077 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001334335546 1390519528 /nfs/dbraw/zinc/51/95/28/1390519528.db2.gz JEBIBDMVUIVEPO-JYJNAYRXSA-N 2 0 325.456 3.410 20 0 EGADRP Cn1cc(C[N@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c(-c2cccs2)n1 ZINC001335132979 1390646436 /nfs/dbraw/zinc/64/64/36/1390646436.db2.gz AEVVSDUZOCUJPY-HLLBOEOZSA-N 2 0 344.528 3.311 20 0 EGADRP c1cc(N2CCC([NH2+]CCOc3ccc4c(c3)CCC4)CC2)cc[nH+]1 ZINC001344569826 1390800238 /nfs/dbraw/zinc/80/02/38/1390800238.db2.gz XXAIYVUJNMCGDU-UHFFFAOYSA-N 2 0 337.467 3.208 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC001349326099 1391320936 /nfs/dbraw/zinc/32/09/36/1391320936.db2.gz SYWKQAULDPBWKT-UHFFFAOYSA-N 2 0 330.520 3.433 20 0 EGADRP CC[C@H](C(=O)N1CCC2(C[NH+](C[C@@H](C)CC)C2)CC1)[NH+](CC)CC ZINC001698809442 1406495412 /nfs/dbraw/zinc/49/54/12/1406495412.db2.gz MCNZCLKUCLPTAL-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001351288019 1391621892 /nfs/dbraw/zinc/62/18/92/1391621892.db2.gz KNTVYTSKZBOVTN-OALUTQOASA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001488742631 1391713772 /nfs/dbraw/zinc/71/37/72/1391713772.db2.gz WLQWGHNOKRDRHK-NZSAHSFTSA-N 2 0 343.515 3.106 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC001353316075 1391988004 /nfs/dbraw/zinc/98/80/04/1391988004.db2.gz MGSCFAHFTNLTKN-OAHLLOKOSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC(C)(C)C[NH3+] ZINC001353468881 1392017691 /nfs/dbraw/zinc/01/76/91/1392017691.db2.gz JFMGSJMXYYECBI-INIZCTEOSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001698860895 1406570864 /nfs/dbraw/zinc/57/08/64/1406570864.db2.gz QKWOXQDZXROLLH-RTBURBONSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001698862254 1406573200 /nfs/dbraw/zinc/57/32/00/1406573200.db2.gz XHDVXBJOJDFIRH-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480109545 1392588740 /nfs/dbraw/zinc/58/87/40/1392588740.db2.gz HAEWMMZJJKXOTF-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1cccc(C)c1 ZINC001480979349 1393063473 /nfs/dbraw/zinc/06/34/73/1393063473.db2.gz GWOJRRFLWUQCCN-AZUAARDMSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480982751 1393066846 /nfs/dbraw/zinc/06/68/46/1393066846.db2.gz GHXFYTRBALAXSV-LOULHMMLSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001481121269 1393125328 /nfs/dbraw/zinc/12/53/28/1393125328.db2.gz WTUDEGZWMWVTBO-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)C1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001490421445 1394222541 /nfs/dbraw/zinc/22/25/41/1394222541.db2.gz IPFVDSHDADATKI-FQEVSTJZSA-N 2 0 345.531 3.258 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001490421637 1394223003 /nfs/dbraw/zinc/22/30/03/1394223003.db2.gz KJOYSCNUJDTLOM-HXUWFJFHSA-N 2 0 345.531 3.004 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481526635 1394378970 /nfs/dbraw/zinc/37/89/70/1394378970.db2.gz SHLYTCGCBWRDHZ-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491110056 1394431477 /nfs/dbraw/zinc/43/14/77/1394431477.db2.gz CQDMLNPQNGMVBA-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CC1)C1CCCCC1 ZINC001491219290 1394478138 /nfs/dbraw/zinc/47/81/38/1394478138.db2.gz OVGAEXYSWUZKFL-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001481749737 1394494349 /nfs/dbraw/zinc/49/43/49/1394494349.db2.gz VMFWXVNLEQUMIM-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001481753269 1394497526 /nfs/dbraw/zinc/49/75/26/1394497526.db2.gz RCZNLNLKMYDXFA-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001698960388 1406713167 /nfs/dbraw/zinc/71/31/67/1406713167.db2.gz IAVZOGLJEJBGBB-BEFAXECRSA-N 2 0 349.494 3.101 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C)c1ccccc1 ZINC001482062852 1394723387 /nfs/dbraw/zinc/72/33/87/1394723387.db2.gz DJBXJAGDSPWJAA-QRVBRYPASA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCCC1 ZINC001482225834 1394819370 /nfs/dbraw/zinc/81/93/70/1394819370.db2.gz LKSANBMJSJLSHX-UHFFFAOYSA-N 2 0 345.531 3.079 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001482495725 1395047259 /nfs/dbraw/zinc/04/72/59/1395047259.db2.gz SOOQUUWDWAAWNC-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[N@H+](C)CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001482508156 1395061886 /nfs/dbraw/zinc/06/18/86/1395061886.db2.gz YMGPVKGOHWHNQC-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c(C)c1 ZINC001483909543 1395140242 /nfs/dbraw/zinc/14/02/42/1395140242.db2.gz SYVLDDDBWCADTH-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c(C)c1 ZINC001483909540 1395140431 /nfs/dbraw/zinc/14/04/31/1395140431.db2.gz SYVLDDDBWCADTH-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001483970702 1395169391 /nfs/dbraw/zinc/16/93/91/1395169391.db2.gz IQTZTWRRSMMCKR-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001698990131 1406778209 /nfs/dbraw/zinc/77/82/09/1406778209.db2.gz WSDRSVJEBSZUAM-GOSISDBHSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CCCC(C)(C)C)C1 ZINC001698993627 1406787348 /nfs/dbraw/zinc/78/73/48/1406787348.db2.gz MOAKCWNLTDXVOD-SFHVURJKSA-N 2 0 339.568 3.325 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001485583136 1396058519 /nfs/dbraw/zinc/05/85/19/1396058519.db2.gz YMXHEPHBCSLQEK-IRXDYDNUSA-N 2 0 339.568 3.226 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)CCCC2CCCC2)CC1 ZINC001485763573 1396139676 /nfs/dbraw/zinc/13/96/76/1396139676.db2.gz VWXYQVIFYNIQQS-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001503553425 1396258966 /nfs/dbraw/zinc/25/89/66/1396258966.db2.gz VGXDWPDJZLVHQP-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001492166309 1396311353 /nfs/dbraw/zinc/31/13/53/1396311353.db2.gz LRQZKPHTHHKYKM-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001494170126 1396393880 /nfs/dbraw/zinc/39/38/80/1396393880.db2.gz AFBCOBKMTBEUDP-IRXDYDNUSA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001495458229 1396536115 /nfs/dbraw/zinc/53/61/15/1396536115.db2.gz OHCAMNYQIDEEBV-BZSNNMDCSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001495974682 1396584422 /nfs/dbraw/zinc/58/44/22/1396584422.db2.gz YVOMNERDSRNRLQ-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001497297392 1396744981 /nfs/dbraw/zinc/74/49/81/1396744981.db2.gz FEYYZDOBTNDZRB-HNAYVOBHSA-N 2 0 349.494 3.029 20 0 EGADRP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001498461605 1397010530 /nfs/dbraw/zinc/01/05/30/1397010530.db2.gz VBILLEZAMPHGRF-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1)C1CCC1 ZINC001690448164 1404571969 /nfs/dbraw/zinc/57/19/69/1404571969.db2.gz FSIOLZVZSVLXDB-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001690498430 1404611106 /nfs/dbraw/zinc/61/11/06/1404611106.db2.gz HZHLTHYEUXPQEW-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001690633531 1404666368 /nfs/dbraw/zinc/66/63/68/1404666368.db2.gz FPLQLQKEMZFPKT-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690819065 1404755030 /nfs/dbraw/zinc/75/50/30/1404755030.db2.gz SXJWXIBNSUGBPZ-IRXDYDNUSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001690986499 1404901760 /nfs/dbraw/zinc/90/17/60/1404901760.db2.gz UYSKRAZDUBKNEM-MRXNPFEDSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001725505227 1426187837 /nfs/dbraw/zinc/18/78/37/1426187837.db2.gz KGYUXWKAOHTFTI-SJORKVTESA-N 2 0 333.520 3.162 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CCC1)CC2 ZINC001691690334 1405425300 /nfs/dbraw/zinc/42/53/00/1405425300.db2.gz RBHYXDPKNCOCBT-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)CC1CCCCC1 ZINC001691999526 1405715247 /nfs/dbraw/zinc/71/52/47/1405715247.db2.gz UBVVZMZBVUAFLE-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001698588721 1406208833 /nfs/dbraw/zinc/20/88/33/1406208833.db2.gz SOVDFRFTSPJLIE-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[NH2+]CC1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC1 ZINC001732230662 1428477785 /nfs/dbraw/zinc/47/77/85/1428477785.db2.gz JWUXZBNPORSIRQ-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1c(C(=O)NC2(C[NH2+]CC3CCC3)CCCC2)ccc2c[nH+]cn21 ZINC001732232081 1428478739 /nfs/dbraw/zinc/47/87/39/1428478739.db2.gz SWKJEDAEWCIFRG-UHFFFAOYSA-N 2 0 340.471 3.075 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)CC2)cs1 ZINC001732310163 1428523853 /nfs/dbraw/zinc/52/38/53/1428523853.db2.gz HPHXMCQVFHBZEB-QAQDUYKDSA-N 2 0 349.544 3.058 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CCC2CC2)CCCC1)[NH+]1CCCCC1 ZINC001732392438 1428561427 /nfs/dbraw/zinc/56/14/27/1428561427.db2.gz LMYYKYJFAMUSMQ-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001732396004 1428563188 /nfs/dbraw/zinc/56/31/88/1428563188.db2.gz FFFDCNVGFASLQN-INIZCTEOSA-N 2 0 346.519 3.187 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001699380422 1412689122 /nfs/dbraw/zinc/68/91/22/1412689122.db2.gz MJBDESSLAVRVLA-XCLFUZPHSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001699419369 1412733676 /nfs/dbraw/zinc/73/36/76/1412733676.db2.gz XWPLYMAKQLURJX-DLBZAZTESA-N 2 0 345.531 3.307 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001699683915 1413079639 /nfs/dbraw/zinc/07/96/39/1413079639.db2.gz UPYCVMUQJYGYSS-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001699946832 1413391110 /nfs/dbraw/zinc/39/11/10/1413391110.db2.gz APLCOGCVGYKOTL-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001700365009 1413887033 /nfs/dbraw/zinc/88/70/33/1413887033.db2.gz SZZVSNNNDHLMLY-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001700459797 1414055004 /nfs/dbraw/zinc/05/50/04/1414055004.db2.gz DZOSKUFROKWGHT-WMZOPIPTSA-N 2 0 331.504 3.059 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1C ZINC001732582798 1428791981 /nfs/dbraw/zinc/79/19/81/1428791981.db2.gz ZXRYXWUHRWXGCF-QUCCMNQESA-N 2 0 345.531 3.321 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732584970 1428796909 /nfs/dbraw/zinc/79/69/09/1428796909.db2.gz DVHOZXIRMDSIKO-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001700756177 1414427237 /nfs/dbraw/zinc/42/72/37/1414427237.db2.gz BTNYDFBIWKQCJC-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001700823607 1414479314 /nfs/dbraw/zinc/47/93/14/1414479314.db2.gz OSQFDRPCIRTUBC-OXJNMPFZSA-N 2 0 345.531 3.377 20 0 EGADRP CC[C@@H](C(=O)N(C)CC[N@H+](C)CCC1CCCCCC1)[NH+](C)C ZINC001732590785 1428813310 /nfs/dbraw/zinc/81/33/10/1428813310.db2.gz GSSXIXAUNJMWPT-SFHVURJKSA-N 2 0 325.541 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001700878784 1414534060 /nfs/dbraw/zinc/53/40/60/1414534060.db2.gz IFFWABSGCWBPQM-IEBWSBKVSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001732604499 1428856802 /nfs/dbraw/zinc/85/68/02/1428856802.db2.gz BSXLPYDQRHZBPV-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707443552 1417347500 /nfs/dbraw/zinc/34/75/00/1417347500.db2.gz PMUHQRABBOGZLZ-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001733053665 1429194233 /nfs/dbraw/zinc/19/42/33/1429194233.db2.gz SJMGDGRZDRYOTP-MSOLQXFVSA-N 2 0 347.547 3.470 20 0 EGADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001713055357 1417607713 /nfs/dbraw/zinc/60/77/13/1417607713.db2.gz OLPQJBXYUIRCKT-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713061131 1417617572 /nfs/dbraw/zinc/61/75/72/1417617572.db2.gz SQPYAUFPNQIZFZ-XFHJGTJQSA-N 2 0 335.536 3.188 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713130808 1417703486 /nfs/dbraw/zinc/70/34/86/1417703486.db2.gz PTMIPUAEVYKDSC-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001713287720 1417914686 /nfs/dbraw/zinc/91/46/86/1417914686.db2.gz PGZHEKMBGGROQU-WWDZGPRUSA-N 2 0 337.552 3.170 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713378359 1417988117 /nfs/dbraw/zinc/98/81/17/1417988117.db2.gz DHZPWEWKDJBDRO-MOPGFXCFSA-N 2 0 349.494 3.015 20 0 EGADRP CC(C)[NH2+]CCc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001713384840 1417995249 /nfs/dbraw/zinc/99/52/49/1417995249.db2.gz MWGIUHIAIJJNFR-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001713398926 1418019140 /nfs/dbraw/zinc/01/91/40/1418019140.db2.gz AUMIYOLFRJZBSO-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001713705362 1418465674 /nfs/dbraw/zinc/46/56/74/1418465674.db2.gz WXCLQDTVMPINQV-HXUWFJFHSA-N 2 0 339.483 3.217 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713794309 1418613380 /nfs/dbraw/zinc/61/33/80/1418613380.db2.gz MITNYNKGVIEWDH-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001713962536 1418742879 /nfs/dbraw/zinc/74/28/79/1418742879.db2.gz ARUWKFIWDSIQJQ-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001713968415 1418747537 /nfs/dbraw/zinc/74/75/37/1418747537.db2.gz ICRIXBZLJQNAQX-IHPCNDPISA-N 2 0 343.515 3.169 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001714146504 1418951379 /nfs/dbraw/zinc/95/13/79/1418951379.db2.gz XJHNBAGNPGGRKK-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)CC1 ZINC001714194174 1419000098 /nfs/dbraw/zinc/00/00/98/1419000098.db2.gz ICBPAOXISVQDQX-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)c1cccc2ccccc21 ZINC001714565773 1419294388 /nfs/dbraw/zinc/29/43/88/1419294388.db2.gz KWAUUAPTWQEHRJ-KRWDZBQOSA-N 2 0 341.499 3.291 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC/C=C/c1ccccc1 ZINC001714572672 1419306299 /nfs/dbraw/zinc/30/62/99/1419306299.db2.gz QOFRGOQKORKFMO-LOULHMMLSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001714585750 1419328141 /nfs/dbraw/zinc/32/81/41/1419328141.db2.gz MXGMDAPFXPBGND-LJQANCHMSA-N 2 0 347.547 3.262 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CCCCCC1 ZINC001714586575 1419329210 /nfs/dbraw/zinc/32/92/10/1419329210.db2.gz RNVNEZRPIXSBRX-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1Cl ZINC001714731348 1419486491 /nfs/dbraw/zinc/48/64/91/1419486491.db2.gz OZIMAYAAKSQSBB-HNNXBMFYSA-N 2 0 349.906 3.077 20 0 EGADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]Cc1ccccc1 ZINC001715072176 1419807097 /nfs/dbraw/zinc/80/70/97/1419807097.db2.gz SRGIWTISZDSCPR-LJQANCHMSA-N 2 0 345.531 3.183 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)cc1 ZINC001715198538 1419930648 /nfs/dbraw/zinc/93/06/48/1419930648.db2.gz ZCULVEQJJSGQNP-FQEVSTJZSA-N 2 0 339.483 3.105 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001715241584 1419970635 /nfs/dbraw/zinc/97/06/35/1419970635.db2.gz VDZMJDUHCIRBAG-PKOBYXMFSA-N 2 0 343.515 3.108 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001715322264 1420029612 /nfs/dbraw/zinc/02/96/12/1420029612.db2.gz QDDXKNXVQDCKHZ-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001715457572 1420138925 /nfs/dbraw/zinc/13/89/25/1420138925.db2.gz HMSARKUCTRQFQB-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)C[NH+](C)CC(C)(C)C ZINC001715534480 1420227892 /nfs/dbraw/zinc/22/78/92/1420227892.db2.gz WTDUSWDXNRRPRS-UHFFFAOYSA-N 2 0 339.568 3.325 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001715961122 1420427863 /nfs/dbraw/zinc/42/78/63/1420427863.db2.gz ZMODZSJNOUDBPK-LPHOPBHVSA-N 2 0 349.494 3.009 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716198931 1420563549 /nfs/dbraw/zinc/56/35/49/1420563549.db2.gz WXPJXYWIWWSPEG-OALUTQOASA-N 2 0 345.531 3.416 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1 ZINC001716220397 1420570498 /nfs/dbraw/zinc/57/04/98/1420570498.db2.gz PKLYEUQKVOANOK-IEBWSBKVSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716395718 1420631931 /nfs/dbraw/zinc/63/19/31/1420631931.db2.gz XYGNJIGTMDHOGM-QZTJIDSGSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001716502225 1420729560 /nfs/dbraw/zinc/72/95/60/1420729560.db2.gz NUYYDTHBBMRGPW-ROUUACIJSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001716662917 1420816495 /nfs/dbraw/zinc/81/64/95/1420816495.db2.gz OUYCIFXZTWIXCB-RBUKOAKNSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001716768900 1420913714 /nfs/dbraw/zinc/91/37/14/1420913714.db2.gz HTQPAFMAKPRMTP-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001716795513 1420928413 /nfs/dbraw/zinc/92/84/13/1420928413.db2.gz UQBMRHVGBXHORH-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001716877645 1421003102 /nfs/dbraw/zinc/00/31/02/1421003102.db2.gz FEAUGNGAEXNTEM-JXFKEZNVSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001716903092 1421036228 /nfs/dbraw/zinc/03/62/28/1421036228.db2.gz WXIWGWBEYZOVNX-OAQYLSRUSA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001717012422 1421077829 /nfs/dbraw/zinc/07/78/29/1421077829.db2.gz KGTDSGMTHSQUQV-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001717097316 1421108640 /nfs/dbraw/zinc/10/86/40/1421108640.db2.gz NLBMHCPIDUXZDE-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001717334914 1421271539 /nfs/dbraw/zinc/27/15/39/1421271539.db2.gz BINUVSXPGTVUCB-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001717377364 1421319679 /nfs/dbraw/zinc/31/96/79/1421319679.db2.gz KDVPACYUWKQXPS-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001717449665 1421379581 /nfs/dbraw/zinc/37/95/81/1421379581.db2.gz KNQLJCPPUMSOGG-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001717486263 1421422899 /nfs/dbraw/zinc/42/28/99/1421422899.db2.gz CKLVNFCVGDBBKN-KRWDZBQOSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC3(C2)CCC[N@H+](CCCC(C)(C)C)C3)CC1 ZINC001717629120 1421538281 /nfs/dbraw/zinc/53/82/81/1421538281.db2.gz KVWGWLGVSJVLGX-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C2)cc1 ZINC001723876106 1424594796 /nfs/dbraw/zinc/59/47/96/1424594796.db2.gz PVODMBJCKYFFPA-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001724023063 1424631694 /nfs/dbraw/zinc/63/16/94/1424631694.db2.gz OKDYDOOPKRGMMM-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CCCc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C2)cc1 ZINC001724185231 1424719559 /nfs/dbraw/zinc/71/95/59/1424719559.db2.gz WHGUWHOLEMMONM-NRFANRHFSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC001724188739 1424721934 /nfs/dbraw/zinc/72/19/34/1424721934.db2.gz HWOXPKHYMXRFLS-IBGZPJMESA-N 2 0 349.544 3.013 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001724295280 1424780753 /nfs/dbraw/zinc/78/07/53/1424780753.db2.gz PISKABFZBWAZIL-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP CN(CCC[N@H+](C)CCC1CC1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001724851597 1425215018 /nfs/dbraw/zinc/21/50/18/1425215018.db2.gz NLHZCMUZPKFUSA-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724864405 1425247652 /nfs/dbraw/zinc/24/76/52/1425247652.db2.gz SXMRGFDWVRTRQY-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP CCc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001725003200 1425414995 /nfs/dbraw/zinc/41/49/95/1425414995.db2.gz OLOZLTQJONPWLJ-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1c2ccccc2CC[N@H+]1CCC(C)C)[NH+](C)C ZINC001725012154 1425427633 /nfs/dbraw/zinc/42/76/33/1425427633.db2.gz FYHDPFWYMVCZAH-WOJBJXKFSA-N 2 0 345.531 3.088 20 0 EGADRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001725142737 1425623413 /nfs/dbraw/zinc/62/34/13/1425623413.db2.gz IRYHKPYDOOTEJG-LJQANCHMSA-N 2 0 347.547 3.218 20 0 EGADRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1ccccc1F ZINC001725514698 1426204864 /nfs/dbraw/zinc/20/48/64/1426204864.db2.gz LMCQSDRXHLFBOV-SJORKVTESA-N 2 0 349.494 3.055 20 0 EGADRP CN(C(=O)CCc1c[nH]cn1)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC001725777242 1426461144 /nfs/dbraw/zinc/46/11/44/1426461144.db2.gz DEOOMYHFPOACJL-UHFFFAOYSA-N 2 0 346.519 3.282 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001731385606 1427330074 /nfs/dbraw/zinc/33/00/74/1427330074.db2.gz MPOUDDQKFNORPH-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)CCC1 ZINC001731569286 1427609328 /nfs/dbraw/zinc/60/93/28/1427609328.db2.gz XHIOKPSHCRUYMK-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001731642169 1427702613 /nfs/dbraw/zinc/70/26/13/1427702613.db2.gz ZRZBQPXLHGETRX-SFHVURJKSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001731735327 1427815135 /nfs/dbraw/zinc/81/51/35/1427815135.db2.gz NGWSUALKKXNOFC-IAGOWNOFSA-N 2 0 333.520 3.210 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001731876086 1428139926 /nfs/dbraw/zinc/13/99/26/1428139926.db2.gz ZGHYRHJWMZHNHA-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001733857373 1437689355 /nfs/dbraw/zinc/68/93/55/1437689355.db2.gz JJQDGURXSGVDNP-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCCCCC1 ZINC001733897142 1437714187 /nfs/dbraw/zinc/71/41/87/1437714187.db2.gz CFCDHFXIDYRKDG-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001733901186 1437719213 /nfs/dbraw/zinc/71/92/13/1437719213.db2.gz MZGWXNGBXQFLQO-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CC(C)C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001733921043 1437735327 /nfs/dbraw/zinc/73/53/27/1437735327.db2.gz ZABPGSYDBGNGOL-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001733944879 1437760525 /nfs/dbraw/zinc/76/05/25/1437760525.db2.gz XNCXILLNMIIADQ-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001734462640 1438119259 /nfs/dbraw/zinc/11/92/59/1438119259.db2.gz UNIPWQOKOUONQT-QFBILLFUSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001752159339 1440148518 /nfs/dbraw/zinc/14/85/18/1440148518.db2.gz PKRXVCDHCNADIV-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001752301715 1440167963 /nfs/dbraw/zinc/16/79/63/1440167963.db2.gz PYSULFDKMKPVGL-SJLPKXTDSA-N 2 0 337.552 3.076 20 0 EGADRP CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001752707836 1440203027 /nfs/dbraw/zinc/20/30/27/1440203027.db2.gz QDYSPUYJDSZJRR-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001752772866 1440206274 /nfs/dbraw/zinc/20/62/74/1440206274.db2.gz OAHHCCJTNSZNIE-QRQLOZEOSA-N 2 0 331.504 3.025 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CCC1 ZINC001752783579 1440210000 /nfs/dbraw/zinc/21/00/00/1440210000.db2.gz KPKNHMCHYYCNAA-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001752820453 1440220195 /nfs/dbraw/zinc/22/01/95/1440220195.db2.gz MSKVGSUMZGSYTE-MRNGTQDMSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1)[NH+](C)C ZINC001752822243 1440221148 /nfs/dbraw/zinc/22/11/48/1440221148.db2.gz CKAQPZCTOPUOPC-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001752840229 1440230010 /nfs/dbraw/zinc/23/00/10/1440230010.db2.gz JVOMFGGSSLNHTL-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752842397 1440231489 /nfs/dbraw/zinc/23/14/89/1440231489.db2.gz ZGDYEWKODXCFBZ-WYNBNGFRSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001752939251 1440250787 /nfs/dbraw/zinc/25/07/87/1440250787.db2.gz YGDLFCFBOAJOLD-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001752951393 1440252175 /nfs/dbraw/zinc/25/21/75/1440252175.db2.gz XZERNXTXXBRVQV-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001752983927 1440257770 /nfs/dbraw/zinc/25/77/70/1440257770.db2.gz RGKKTFZWQIPQKR-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001753007095 1440266085 /nfs/dbraw/zinc/26/60/85/1440266085.db2.gz ARXPUFGEKDQNTL-QUCCMNQESA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001753014496 1440268070 /nfs/dbraw/zinc/26/80/70/1440268070.db2.gz NYXBAIWJQVRXFB-MOPGFXCFSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001753027310 1440271709 /nfs/dbraw/zinc/27/17/09/1440271709.db2.gz IEGZPPQXYFJOOL-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001753028495 1440272285 /nfs/dbraw/zinc/27/22/85/1440272285.db2.gz HSAACGRRNRAHDZ-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[C@H](C(=O)NCC[N@H+](C)CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001753074921 1440290827 /nfs/dbraw/zinc/29/08/27/1440290827.db2.gz WNUHWRPAYNEDKM-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753107557 1440306765 /nfs/dbraw/zinc/30/67/65/1440306765.db2.gz GLGVTIROKRJXMO-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001753112269 1440309012 /nfs/dbraw/zinc/30/90/12/1440309012.db2.gz ZLTSFEYJMYCAKN-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001753135018 1440318498 /nfs/dbraw/zinc/31/84/98/1440318498.db2.gz HAWQRPWSKZAEDE-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccc(C)cc1 ZINC001753146942 1440324964 /nfs/dbraw/zinc/32/49/64/1440324964.db2.gz NFCVTIGCLAGHNI-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCC1=CCCCC1 ZINC001753147418 1440325206 /nfs/dbraw/zinc/32/52/06/1440325206.db2.gz CMJILUHPGOBPOL-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1)[NH+](CC)CC ZINC001753278214 1440346707 /nfs/dbraw/zinc/34/67/07/1440346707.db2.gz OUGHXHKBDLCCAB-LPHOPBHVSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001753279045 1440346966 /nfs/dbraw/zinc/34/69/66/1440346966.db2.gz ZKEMHDOZDUIDLO-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001753298526 1440353328 /nfs/dbraw/zinc/35/33/28/1440353328.db2.gz JDZCWXPJNKJAFJ-UXHICEINSA-N 2 0 343.515 3.106 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cccc(CC)c2)C1 ZINC001753325741 1440366434 /nfs/dbraw/zinc/36/64/34/1440366434.db2.gz CXOJWWFOZQACBF-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001753326692 1440367098 /nfs/dbraw/zinc/36/70/98/1440367098.db2.gz IJGSHYGKDJOYPI-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001753328776 1440368095 /nfs/dbraw/zinc/36/80/95/1440368095.db2.gz ZWQOZUHOADSJEF-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753341124 1440375572 /nfs/dbraw/zinc/37/55/72/1440375572.db2.gz RCHXZNBVIZHNNP-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001753359015 1440381466 /nfs/dbraw/zinc/38/14/66/1440381466.db2.gz DPFBFRRSSWWPSU-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753359871 1440382153 /nfs/dbraw/zinc/38/21/53/1440382153.db2.gz MVNCQUVYYUWCIK-SLVIYJBESA-N 2 0 349.563 3.243 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(Cc1ccccc1)[C@H]1CCC[NH+](CC)C1 ZINC001753361373 1440383076 /nfs/dbraw/zinc/38/30/76/1440383076.db2.gz DSCZRGCXNHNZFT-FQEVSTJZSA-N 2 0 345.531 3.231 20 0 EGADRP C[N@H+](CCCC1CCC1)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001753366339 1440385449 /nfs/dbraw/zinc/38/54/49/1440385449.db2.gz WTHJVLYAYJVZNM-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001753367058 1440385993 /nfs/dbraw/zinc/38/59/93/1440385993.db2.gz UMYWTVLAQGRMCF-HXUWFJFHSA-N 2 0 349.563 3.386 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753428813 1440397728 /nfs/dbraw/zinc/39/77/28/1440397728.db2.gz WITIEIXXGAQVFC-CZHQAMEJSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001753443790 1440402898 /nfs/dbraw/zinc/40/28/98/1440402898.db2.gz DMXYMDQCZDOKOV-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001753461104 1440410807 /nfs/dbraw/zinc/41/08/07/1440410807.db2.gz DLRDSDJJMWYXJQ-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001753486956 1440418090 /nfs/dbraw/zinc/41/80/90/1440418090.db2.gz DFVWKRSTHMYMHC-BEFAXECRSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H]([NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC001753510271 1440425693 /nfs/dbraw/zinc/42/56/93/1440425693.db2.gz NUCCDSACJDWNDE-ZWKOTPCHSA-N 2 0 343.515 3.108 20 0 EGADRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1cc(C)cc(C)c1)C1CC1)[NH+](C)C ZINC001753525105 1440429394 /nfs/dbraw/zinc/42/93/94/1440429394.db2.gz RZNMSUBRBVPDKZ-PZJWPPBQSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001753547398 1440434374 /nfs/dbraw/zinc/43/43/74/1440434374.db2.gz BWSOEYNCCRLBJD-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC(C[NH2+]CC[C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001753551520 1440435070 /nfs/dbraw/zinc/43/50/70/1440435070.db2.gz OEANXEDBUZSEQX-JLAWEPINSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001753557608 1440436200 /nfs/dbraw/zinc/43/62/00/1440436200.db2.gz OWUUKRIYZUFTHO-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1 ZINC001753585168 1440441138 /nfs/dbraw/zinc/44/11/38/1440441138.db2.gz WMNJGMFSYPDCTK-XLAORIBOSA-N 2 0 341.515 3.014 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001753585197 1440441197 /nfs/dbraw/zinc/44/11/97/1440441197.db2.gz XFSGOJYPPNPCAO-OISZBXDOSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001753586391 1440441445 /nfs/dbraw/zinc/44/14/45/1440441445.db2.gz YSSLQXMQTKBTLP-WDSOQIARSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001753587357 1440441712 /nfs/dbraw/zinc/44/17/12/1440441712.db2.gz SVXZOIIIOGWOEI-NCXUSEDFSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1)c1ccccc1 ZINC001753590836 1440442863 /nfs/dbraw/zinc/44/28/63/1440442863.db2.gz QGVJWUKOLAQPHB-QGZVFWFLSA-N 2 0 339.483 3.105 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001753595429 1440444522 /nfs/dbraw/zinc/44/45/22/1440444522.db2.gz XUMOWMZWCKFTHL-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001753595948 1440444636 /nfs/dbraw/zinc/44/46/36/1440444636.db2.gz NSNHICCZWOYIMQ-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001753599654 1440446086 /nfs/dbraw/zinc/44/60/86/1440446086.db2.gz SBJSROLDOGOHDR-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CCCC(C)(C)C ZINC001753625801 1440451235 /nfs/dbraw/zinc/45/12/35/1440451235.db2.gz LRJAETNVSSJZLG-MRXNPFEDSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001753702134 1440468762 /nfs/dbraw/zinc/46/87/62/1440468762.db2.gz UUJIMLZKROUDGO-ICSRJNTNSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001753740724 1440479097 /nfs/dbraw/zinc/47/90/97/1440479097.db2.gz ZYYASLMLCNORIF-RBUKOAKNSA-N 2 0 337.552 3.336 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001753798261 1440490250 /nfs/dbraw/zinc/49/02/50/1440490250.db2.gz WJYAJVXIOWDEGO-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753814967 1440493567 /nfs/dbraw/zinc/49/35/67/1440493567.db2.gz HWDFPKLRQDGPOW-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001753823654 1440497505 /nfs/dbraw/zinc/49/75/05/1440497505.db2.gz MOKNTWGDGQHBKO-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001753837748 1440501683 /nfs/dbraw/zinc/50/16/83/1440501683.db2.gz OSHFTDYEAANFIG-UXHICEINSA-N 2 0 345.531 3.039 20 0 EGADRP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001753839659 1440502291 /nfs/dbraw/zinc/50/22/91/1440502291.db2.gz YYRMBZBAXKCJOH-WDSOQIARSA-N 2 0 337.552 3.027 20 0 EGADRP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001754050191 1440535716 /nfs/dbraw/zinc/53/57/16/1440535716.db2.gz NHPNIQPYOMHHOJ-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754120360 1440542683 /nfs/dbraw/zinc/54/26/83/1440542683.db2.gz SCAWZIJEYMFHQK-ASEMBFHNSA-N 2 0 347.478 3.022 20 0 EGADRP C[C@@H]([NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001754155887 1440545546 /nfs/dbraw/zinc/54/55/46/1440545546.db2.gz CFFGBAOKFRMJIU-YIEVGGLXSA-N 2 0 347.478 3.023 20 0 EGADRP C[C@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001754325522 1440580258 /nfs/dbraw/zinc/58/02/58/1440580258.db2.gz QLERXYFGTHLOQZ-QGZVFWFLSA-N 2 0 337.552 3.291 20 0 EGADRP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001754335415 1440586228 /nfs/dbraw/zinc/58/62/28/1440586228.db2.gz CHKDRRUVSNBEGF-OAHLLOKOSA-N 2 0 345.512 3.060 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c1 ZINC001754347859 1440590123 /nfs/dbraw/zinc/59/01/23/1440590123.db2.gz BOYSAECLVSDDKH-PMACEKPBSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001754354529 1440591367 /nfs/dbraw/zinc/59/13/67/1440591367.db2.gz SWQIZFPQBIQJGM-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001754401126 1440595246 /nfs/dbraw/zinc/59/52/46/1440595246.db2.gz QWPJLORCOASFAX-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CC=C(C)C ZINC001754468541 1440604881 /nfs/dbraw/zinc/60/48/81/1440604881.db2.gz OXBROMDQCCFBKM-RTBURBONSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CC=C(C)C ZINC001754468537 1440604910 /nfs/dbraw/zinc/60/49/10/1440604910.db2.gz OXBROMDQCCFBKM-OALUTQOASA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1)c1cccc(F)c1 ZINC001754536396 1440624628 /nfs/dbraw/zinc/62/46/28/1440624628.db2.gz YRFOBDAWWWNKPN-MRXNPFEDSA-N 2 0 347.478 3.001 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001754538606 1440625461 /nfs/dbraw/zinc/62/54/61/1440625461.db2.gz MYURBCBSAMUVLO-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001754544076 1440626760 /nfs/dbraw/zinc/62/67/60/1440626760.db2.gz KMWNOZFOLGMZBJ-GMNCBBECSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001754586766 1440639957 /nfs/dbraw/zinc/63/99/57/1440639957.db2.gz ZCQNDPPEACGDFO-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)c(C)c1 ZINC001754598401 1440641946 /nfs/dbraw/zinc/64/19/46/1440641946.db2.gz IYQOVHCAHATAFB-MOPGFXCFSA-N 2 0 345.531 3.033 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001754609689 1440643631 /nfs/dbraw/zinc/64/36/31/1440643631.db2.gz KWXVDUUPGXBPGV-YBXURTSQSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001754626889 1440646500 /nfs/dbraw/zinc/64/65/00/1440646500.db2.gz RMBUKMHNERWHIS-QGZVFWFLSA-N 2 0 343.515 3.203 20 0 EGADRP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC001754628632 1440647021 /nfs/dbraw/zinc/64/70/21/1440647021.db2.gz ABYOFQMEHVWIPC-XFFZJAGNSA-N 2 0 343.515 3.012 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001754732174 1440680058 /nfs/dbraw/zinc/68/00/58/1440680058.db2.gz OYPCRZWBGVWQLS-ICSRJNTNSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001754732173 1440680086 /nfs/dbraw/zinc/68/00/86/1440680086.db2.gz OYPCRZWBGVWQLS-AZUAARDMSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001754831712 1440695680 /nfs/dbraw/zinc/69/56/80/1440695680.db2.gz LTZYKYAWXCJVQK-HAGHYFMRSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCCC(C)C)CC[N@@H+]1C ZINC001754864227 1440702145 /nfs/dbraw/zinc/70/21/45/1440702145.db2.gz AFURHDZLOWTFMA-ZGXWSNOMSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H](F)CC[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001754946946 1440713577 /nfs/dbraw/zinc/71/35/77/1440713577.db2.gz BQIAELZYTUXWCE-HZPDHXFCSA-N 2 0 349.494 3.186 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001754951433 1440715089 /nfs/dbraw/zinc/71/50/89/1440715089.db2.gz SYZDPGQJCHWWQW-OXQOHEQNSA-N 2 0 345.531 3.341 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001754953970 1440715782 /nfs/dbraw/zinc/71/57/82/1440715782.db2.gz SRWNXFAXBLTGFL-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754992842 1440725078 /nfs/dbraw/zinc/72/50/78/1440725078.db2.gz UBCIQUKFUXVMSG-QZTJIDSGSA-N 2 0 347.547 3.378 20 0 EGADRP CCC1([NH2+]Cc2csc(C)c2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001755074552 1440747983 /nfs/dbraw/zinc/74/79/83/1440747983.db2.gz CUHGBOZKNVZDCT-UHFFFAOYSA-N 2 0 349.544 3.013 20 0 EGADRP CC[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](C(C)C)C2)[NH+](CC)CC ZINC001755102122 1440753274 /nfs/dbraw/zinc/75/32/74/1440753274.db2.gz IONXEHDBMFVIAM-LJQANCHMSA-N 2 0 331.504 3.147 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001755135234 1440757921 /nfs/dbraw/zinc/75/79/21/1440757921.db2.gz IGUJLTLMBLMQKB-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001755162969 1440765593 /nfs/dbraw/zinc/76/55/93/1440765593.db2.gz BOYJRNXEROJVJB-PKOBYXMFSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001755183723 1440772099 /nfs/dbraw/zinc/77/20/99/1440772099.db2.gz PAFPVHPKYSUMAV-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755193610 1440775702 /nfs/dbraw/zinc/77/57/02/1440775702.db2.gz CLBZONZAIXVUHT-SFFCAUCYSA-N 2 0 347.547 3.284 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001755202082 1440780341 /nfs/dbraw/zinc/78/03/41/1440780341.db2.gz ZBTZDSHTFPDUJM-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001755255071 1440793007 /nfs/dbraw/zinc/79/30/07/1440793007.db2.gz CPQPKKABLCTAGF-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755264277 1440795539 /nfs/dbraw/zinc/79/55/39/1440795539.db2.gz TWCWYIDWOXANBV-GJZGRUSLSA-N 2 0 347.528 3.226 20 0 EGADRP CC(C)CC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755275707 1440798919 /nfs/dbraw/zinc/79/89/19/1440798919.db2.gz CMTRQOOEJCYUHS-UHFFFAOYSA-N 2 0 339.568 3.370 20 0 EGADRP CN(CC(C)(C)C[NH2+]CCC1=CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001755286776 1440802259 /nfs/dbraw/zinc/80/22/59/1440802259.db2.gz ZYMMLFOQRSGSCW-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001755367601 1440835316 /nfs/dbraw/zinc/83/53/16/1440835316.db2.gz GDQZZZPAQYRZGG-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001755387997 1440841146 /nfs/dbraw/zinc/84/11/46/1440841146.db2.gz VOOJIPNHOLCBKF-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001755414050 1440847882 /nfs/dbraw/zinc/84/78/82/1440847882.db2.gz OMOQQSOOKVFRGW-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001755473806 1440859210 /nfs/dbraw/zinc/85/92/10/1440859210.db2.gz XSBKHLADELLBOL-HNBVOPMISA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCCC1 ZINC001755498627 1440862381 /nfs/dbraw/zinc/86/23/81/1440862381.db2.gz MPFAZQBMFMDSCV-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001755536101 1440869585 /nfs/dbraw/zinc/86/95/85/1440869585.db2.gz HGLZCOTVVBKVSG-INIZCTEOSA-N 2 0 349.494 3.150 20 0 EGADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001755561429 1440874699 /nfs/dbraw/zinc/87/46/99/1440874699.db2.gz UFRGUJABJMHTNI-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001755588205 1440880912 /nfs/dbraw/zinc/88/09/12/1440880912.db2.gz UODRTKXVAHRPMZ-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]Cc1ccccc1 ZINC001755596417 1440882836 /nfs/dbraw/zinc/88/28/36/1440882836.db2.gz HLOTWOVKWPCEQJ-GOSISDBHSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001755610891 1440887065 /nfs/dbraw/zinc/88/70/65/1440887065.db2.gz KMFBVXROXPJKKI-AZUAARDMSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](CN(C)C(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1=CCCCC1 ZINC001755619290 1440890042 /nfs/dbraw/zinc/89/00/42/1440890042.db2.gz VVYCBXOZXYOMEL-QGZVFWFLSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001755663185 1440892963 /nfs/dbraw/zinc/89/29/63/1440892963.db2.gz FAGWNCJWBQMAIB-PKOBYXMFSA-N 2 0 337.552 3.122 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001755701784 1440900440 /nfs/dbraw/zinc/90/04/40/1440900440.db2.gz RPRZGMXNUIPVPH-QKNQBKEWSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001755703362 1440901383 /nfs/dbraw/zinc/90/13/83/1440901383.db2.gz XMPQIELBBNJNJK-XSYGEPLQSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001755722817 1440908148 /nfs/dbraw/zinc/90/81/48/1440908148.db2.gz OSCZOTCMHHBPHC-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755764087 1440915692 /nfs/dbraw/zinc/91/56/92/1440915692.db2.gz YZGPFRGGUUJOLB-CRAIPNDOSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001755765509 1440916057 /nfs/dbraw/zinc/91/60/57/1440916057.db2.gz QRVBPPOIZDPJBT-QAPCUYQASA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C(C)(C)C1 ZINC001755765559 1440916101 /nfs/dbraw/zinc/91/61/01/1440916101.db2.gz RMAAPVKWALEJTI-RBUKOAKNSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)N(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001755811844 1440920808 /nfs/dbraw/zinc/92/08/08/1440920808.db2.gz CJOLAHYLDHRRAV-FQEVSTJZSA-N 2 0 345.531 3.185 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001755829478 1440928196 /nfs/dbraw/zinc/92/81/96/1440928196.db2.gz CKJOSAZCQRALGC-QGZVFWFLSA-N 2 0 339.568 3.418 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001755843450 1440932342 /nfs/dbraw/zinc/93/23/42/1440932342.db2.gz IGBUPYZUJCTDHR-YQVWRLOYSA-N 2 0 339.568 3.226 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001755886976 1440940498 /nfs/dbraw/zinc/94/04/98/1440940498.db2.gz BJKVYLKHTIQISS-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001755894900 1440942611 /nfs/dbraw/zinc/94/26/11/1440942611.db2.gz OXICIUGUZUMSOZ-SFHVURJKSA-N 2 0 347.547 3.047 20 0 EGADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2cccc(N)[nH+]2)CC3)cs1 ZINC001164692210 719805918 /nfs/dbraw/zinc/80/59/18/719805918.db2.gz LNFLRUYPRMZYEA-UHFFFAOYSA-N 2 0 343.500 3.064 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194022372 282087961 /nfs/dbraw/zinc/08/79/61/282087961.db2.gz GIMJXBXMKBETBN-HSALFYBXSA-N 2 0 344.499 3.064 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC(F)F ZINC000368949370 168384417 /nfs/dbraw/zinc/38/44/17/168384417.db2.gz IEMBPTWUYPGYAZ-UHFFFAOYSA-N 2 0 340.414 3.357 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000177927012 232035269 /nfs/dbraw/zinc/03/52/69/232035269.db2.gz QTRZTWUCDZZJPY-IOASZLSFSA-N 2 0 341.293 3.146 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178254710 232119376 /nfs/dbraw/zinc/11/93/76/232119376.db2.gz WYPDTDDEQOFSOX-MRXNPFEDSA-N 2 0 332.488 3.237 20 0 EGADRP CCCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370635198 168521675 /nfs/dbraw/zinc/52/16/75/168521675.db2.gz OCBCIAIJHYWCML-XLIONFOSSA-N 2 0 329.532 3.458 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128299868 222935538 /nfs/dbraw/zinc/93/55/38/222935538.db2.gz CSXQMQODHMHBFS-KRWDZBQOSA-N 2 0 329.488 3.419 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000262096956 244803217 /nfs/dbraw/zinc/80/32/17/244803217.db2.gz BVXMTQBOIZGUNR-HXUWFJFHSA-N 2 0 331.504 3.052 20 0 EGADRP CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264070871 246037444 /nfs/dbraw/zinc/03/74/44/246037444.db2.gz NSGOTCZKMUYXBN-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(c2nccs2)CC1)C1CCCCC1 ZINC000378584246 169142265 /nfs/dbraw/zinc/14/22/65/169142265.db2.gz SJHSCYBSRNMTPS-UHFFFAOYSA-N 2 0 336.549 3.356 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000091553913 218021089 /nfs/dbraw/zinc/02/10/89/218021089.db2.gz XIQDAHHSQAOGHD-SFHVURJKSA-N 2 0 339.483 3.450 20 0 EGADRP COc1sc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC000093088798 218192618 /nfs/dbraw/zinc/19/26/18/218192618.db2.gz WYRPLYXNIWIAEO-UHFFFAOYSA-N 2 0 347.322 3.293 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268828534 252279085 /nfs/dbraw/zinc/27/90/85/252279085.db2.gz JDLJIRIRQSBECV-QGZVFWFLSA-N 2 0 342.487 3.024 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000249031961 285311094 /nfs/dbraw/zinc/31/10/94/285311094.db2.gz RKENWJBASJOQPS-PCCBWWKXSA-N 2 0 343.515 3.291 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000249031958 285313423 /nfs/dbraw/zinc/31/34/23/285313423.db2.gz RKENWJBASJOQPS-NJDAHSKKSA-N 2 0 343.515 3.291 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000121122254 285319399 /nfs/dbraw/zinc/31/93/99/285319399.db2.gz WYOHIUKYKHKZTR-RBUKOAKNSA-N 2 0 331.548 3.216 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000237557573 141007822 /nfs/dbraw/zinc/00/78/22/141007822.db2.gz SLHSIVLMJPXHOP-RTBURBONSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(-c2nccn2C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237585453 141009415 /nfs/dbraw/zinc/00/94/15/141009415.db2.gz PSRIMLPDZJNIST-GDBMZVCRSA-N 2 0 326.444 3.051 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246942469 141044823 /nfs/dbraw/zinc/04/48/23/141044823.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 3 0 329.532 3.491 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+]2CC)cc1 ZINC000338040586 141078843 /nfs/dbraw/zinc/07/88/43/141078843.db2.gz BKBKRTKXPBFTIH-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000338043607 141079704 /nfs/dbraw/zinc/07/97/04/141079704.db2.gz JMYLYYYJIABOLP-MBOZVWFJSA-N 2 0 343.515 3.226 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000338046765 141081263 /nfs/dbraw/zinc/08/12/63/141081263.db2.gz LDSONILYHZFZMH-KLBVCGFUSA-N 2 0 343.515 3.199 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+](CC)C2)cc1)C(C)C ZINC000338077655 141089364 /nfs/dbraw/zinc/08/93/64/141089364.db2.gz CFYIOCQWDVVLFU-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP OC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000342812752 141150052 /nfs/dbraw/zinc/15/00/52/141150052.db2.gz MTHGDYKETPTXRH-VAMGGRTRSA-N 2 0 328.500 3.182 20 0 EGADRP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc2cccnc12 ZINC000346219741 141183090 /nfs/dbraw/zinc/18/30/90/141183090.db2.gz NENGDAIGNZHNPA-UHFFFAOYSA-N 2 0 327.472 3.086 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000347912276 141215160 /nfs/dbraw/zinc/21/51/60/141215160.db2.gz UGNOCNNWODBHGO-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1-n1ccnn1 ZINC000353451750 141298846 /nfs/dbraw/zinc/29/88/46/141298846.db2.gz XUZCVYYFVFCUIE-IAGOWNOFSA-N 2 0 327.476 3.182 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000353476984 141305187 /nfs/dbraw/zinc/30/51/87/141305187.db2.gz ZXPDEOYHDUGOJH-UXPWSPDFSA-N 2 0 343.515 3.065 20 0 EGADRP Cc1c([C@H](C)NCCC[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000359616436 141386629 /nfs/dbraw/zinc/38/66/29/141386629.db2.gz GIAVXPUDRZEJLF-INIZCTEOSA-N 2 0 327.476 3.102 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1(C)C ZINC000344698243 144211334 /nfs/dbraw/zinc/21/13/34/144211334.db2.gz NHTAHNWKXZXVPZ-VQTJNVASSA-N 2 0 345.531 3.120 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000344821348 144228034 /nfs/dbraw/zinc/22/80/34/144228034.db2.gz JAJQORLNZSXBGT-SFHVURJKSA-N 2 0 332.488 3.208 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]12 ZINC000351486812 144268074 /nfs/dbraw/zinc/26/80/74/144268074.db2.gz BFXYNNZJLISJJD-RCCFBDPRSA-N 2 0 332.451 3.170 20 0 EGADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375237301 144581152 /nfs/dbraw/zinc/58/11/52/144581152.db2.gz NCAFGSZURRGZLE-QGZVFWFLSA-N 2 0 333.495 3.236 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC000118782826 152152930 /nfs/dbraw/zinc/15/29/30/152152930.db2.gz AAGXFHZPSBJIIK-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000120211182 152259987 /nfs/dbraw/zinc/25/99/87/152259987.db2.gz URNZMXPIJGLCAA-NHCUHLMSSA-N 2 0 330.516 3.034 20 0 EGADRP c1cn(-c2ccccc2)c(C[NH2+]CCCc2nc3ccccc3[nH]2)n1 ZINC000190878863 153165073 /nfs/dbraw/zinc/16/50/73/153165073.db2.gz DRUAJANHWIRBNY-UHFFFAOYSA-N 2 0 331.423 3.471 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192026072 153237351 /nfs/dbraw/zinc/23/73/51/153237351.db2.gz OSTNIMMOZASDKT-KURKYZTESA-N 2 0 334.504 3.059 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000192922461 153266828 /nfs/dbraw/zinc/26/68/28/153266828.db2.gz XANARUDUJVICTG-GOSISDBHSA-N 2 0 328.431 3.446 20 0 EGADRP CCn1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000192932442 153268041 /nfs/dbraw/zinc/26/80/41/153268041.db2.gz JUEMZDOEOAEQQE-LJQANCHMSA-N 2 0 326.488 3.132 20 0 EGADRP [NH3+]C1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCCCC1 ZINC000237934654 153543399 /nfs/dbraw/zinc/54/33/99/153543399.db2.gz QLCJXSOKSKXFCQ-UHFFFAOYSA-N 2 0 343.515 3.340 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000305063188 154081158 /nfs/dbraw/zinc/08/11/58/154081158.db2.gz HHNCJQLKMDLWAZ-YSGRDPCXSA-N 2 0 334.479 3.492 20 0 EGADRP CC(C)[NH+]1CCC(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310079826 154138508 /nfs/dbraw/zinc/13/85/08/154138508.db2.gz ILDDIMOLGLEIET-OAQYLSRUSA-N 3 0 329.532 3.361 20 0 EGADRP Cc1ncsc1CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310456942 154142206 /nfs/dbraw/zinc/14/22/06/154142206.db2.gz ZLIQBYPERXVPBU-RTBURBONSA-N 2 0 341.524 3.448 20 0 EGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000327283729 154186785 /nfs/dbraw/zinc/18/67/85/154186785.db2.gz KEZHKHRIEQPHTL-OAHLLOKOSA-N 2 0 338.455 3.360 20 0 EGADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)c1 ZINC000337339374 154292277 /nfs/dbraw/zinc/29/22/77/154292277.db2.gz ORJNNEVKDLEEAR-DBXWQHBBSA-N 2 0 343.515 3.198 20 0 EGADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000337347632 154297417 /nfs/dbraw/zinc/29/74/17/154297417.db2.gz XTOBJOINLBPOEB-OKZBNKHCSA-N 2 0 334.504 3.199 20 0 EGADRP CC(C)(CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000337415069 154341530 /nfs/dbraw/zinc/34/15/30/154341530.db2.gz RATIUAOPPYYQCM-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000338172439 154614645 /nfs/dbraw/zinc/61/46/45/154614645.db2.gz CHTALHWDBOKYSC-LJQANCHMSA-N 2 0 333.520 3.235 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000339959578 155052818 /nfs/dbraw/zinc/05/28/18/155052818.db2.gz ZMBDWTGDLDPZPX-UHFFFAOYSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000341035400 155127316 /nfs/dbraw/zinc/12/73/16/155127316.db2.gz TWGZPMTWIWXXDQ-RXVVDRJESA-N 2 0 338.495 3.253 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000343436520 155810562 /nfs/dbraw/zinc/81/05/62/155810562.db2.gz BHYHFOQNECRCQV-RTBURBONSA-N 2 0 333.520 3.364 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000347019888 156250985 /nfs/dbraw/zinc/25/09/85/156250985.db2.gz LXOOWESDLCOJQE-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c(c1)nnn2C ZINC000348959935 156300502 /nfs/dbraw/zinc/30/05/02/156300502.db2.gz BHWFNMGTKJEIHQ-UHFFFAOYSA-N 2 0 337.471 3.052 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000349002344 156313132 /nfs/dbraw/zinc/31/31/32/156313132.db2.gz PEEJSIRWHGZGDX-ZJPYXAASSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)[NH+](CC)CC ZINC000362137142 157038782 /nfs/dbraw/zinc/03/87/82/157038782.db2.gz ZSVIHRQZJPBBLB-BHIYHBOVSA-N 2 0 333.520 3.223 20 0 EGADRP C[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372735168 157374130 /nfs/dbraw/zinc/37/41/30/157374130.db2.gz FDILMVYXDSICBT-MRXNPFEDSA-N 2 0 339.886 3.079 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+]CC3CC[NH+](C)CC3)cs2)cc1 ZINC000113336326 162208935 /nfs/dbraw/zinc/20/89/35/162208935.db2.gz NZTQZDUEMOSIGK-UHFFFAOYSA-N 2 0 345.512 3.462 20 0 EGADRP CCOC[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000113935145 162220211 /nfs/dbraw/zinc/22/02/11/162220211.db2.gz OWHUOWDCJWXLDS-VGIQHARFSA-N 2 0 338.536 3.040 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000130364626 162365118 /nfs/dbraw/zinc/36/51/18/162365118.db2.gz PAQRXXSQIZCSMI-HDICACEKSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000338580582 163280902 /nfs/dbraw/zinc/28/09/02/163280902.db2.gz KSXLYQLVJSPRQV-GOSISDBHSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000338697342 163321983 /nfs/dbraw/zinc/32/19/83/163321983.db2.gz WBSUSGNOOVHCOM-IBGZPJMESA-N 2 0 330.520 3.138 20 0 EGADRP CCc1oc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1C(=O)OC ZINC000338943390 163397578 /nfs/dbraw/zinc/39/75/78/163397578.db2.gz YGKOMEKEBBRTFP-OAHLLOKOSA-N 2 0 336.476 3.373 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1 ZINC000343647503 164002863 /nfs/dbraw/zinc/00/28/63/164002863.db2.gz UGIKBQJKEATTGW-UHFFFAOYSA-N 2 0 345.531 3.413 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1C ZINC000344028620 164085873 /nfs/dbraw/zinc/08/58/73/164085873.db2.gz HCIDCDHMUMPHNH-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344164143 164117645 /nfs/dbraw/zinc/11/76/45/164117645.db2.gz IABYUHDIKCCNJH-UZLBHIALSA-N 2 0 333.495 3.066 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000345852078 164279028 /nfs/dbraw/zinc/27/90/28/164279028.db2.gz RFZFKZGVZIMOPY-LJQANCHMSA-N 2 0 331.504 3.108 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)cc1 ZINC000345930672 164298052 /nfs/dbraw/zinc/29/80/52/164298052.db2.gz WJAVQYPTRULLPM-MSOLQXFVSA-N 2 0 345.531 3.473 20 0 EGADRP COC(C)(C)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000346422955 164384108 /nfs/dbraw/zinc/38/41/08/164384108.db2.gz BWRXBOLNYWLRTR-CALCHBBNSA-N 2 0 326.525 3.013 20 0 EGADRP COC(C)(C)CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000346422960 164384186 /nfs/dbraw/zinc/38/41/86/164384186.db2.gz BWRXBOLNYWLRTR-IRXDYDNUSA-N 2 0 326.525 3.013 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000346496934 164386708 /nfs/dbraw/zinc/38/67/08/164386708.db2.gz WKPZTHRXAOGGMK-OXQOHEQNSA-N 2 0 332.488 3.064 20 0 EGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000346551105 164395565 /nfs/dbraw/zinc/39/55/65/164395565.db2.gz GWEZKPZRHREMGE-GHTZIAJQSA-N 2 0 346.515 3.215 20 0 EGADRP C[C@H](CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000354897217 166058169 /nfs/dbraw/zinc/05/81/69/166058169.db2.gz ROPCINJLKYFJPD-LJQANCHMSA-N 2 0 346.515 3.026 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000352012953 165192466 /nfs/dbraw/zinc/19/24/66/165192466.db2.gz HHGJTJZPGIWING-UHFFFAOYSA-N 2 0 330.394 3.248 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000355049020 166093500 /nfs/dbraw/zinc/09/35/00/166093500.db2.gz LRLXFSPUTWKKLP-IBGZPJMESA-N 2 0 333.520 3.052 20 0 EGADRP CSC1(C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)CC[NH+](C)CC1 ZINC000353183799 165665138 /nfs/dbraw/zinc/66/51/38/165665138.db2.gz ARQZFVVCONZJPP-UHFFFAOYSA-N 2 0 344.528 3.302 20 0 EGADRP CSC1(C[NH2+]Cc2cnc(C(F)(F)F)s2)CC[NH+](C)CC1 ZINC000353212775 165677914 /nfs/dbraw/zinc/67/79/14/165677914.db2.gz RRBQSVUUCOFLGZ-UHFFFAOYSA-N 2 0 339.452 3.079 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355597749 166256435 /nfs/dbraw/zinc/25/64/35/166256435.db2.gz NYLGWPOLXYVXKX-HXUWFJFHSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000355807200 166315386 /nfs/dbraw/zinc/31/53/86/166315386.db2.gz GOBWHVUVLINRKJ-QKLQHJQFSA-N 2 0 343.515 3.226 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCN(C(=O)C4CC4)CC3)CC2)C1 ZINC000358612663 166916517 /nfs/dbraw/zinc/91/65/17/166916517.db2.gz WMDORWVXNLBZRV-OXQOHEQNSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000359184027 167090476 /nfs/dbraw/zinc/09/04/76/167090476.db2.gz BCTYOGBKFWYZKX-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359322281 167125293 /nfs/dbraw/zinc/12/52/93/167125293.db2.gz MORFQIJZKCZQLM-YJBOKZPZSA-N 2 0 349.475 3.177 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000359658399 167203528 /nfs/dbraw/zinc/20/35/28/167203528.db2.gz CVSFRTHAERDYLZ-PZBISTMVSA-N 2 0 346.515 3.201 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000359680185 167207880 /nfs/dbraw/zinc/20/78/80/167207880.db2.gz YVQQXIIHDHYIQA-HXUWFJFHSA-N 2 0 346.515 3.082 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087902 167264591 /nfs/dbraw/zinc/26/45/91/167264591.db2.gz JTZIQVODQGFJSV-LSDHHAIUSA-N 2 0 344.425 3.413 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360197985 167268728 /nfs/dbraw/zinc/26/87/28/167268728.db2.gz DKGRQTYKQSEYTD-UHFFFAOYSA-N 2 0 332.488 3.054 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000365222368 168036246 /nfs/dbraw/zinc/03/62/46/168036246.db2.gz DTXATQLZNFSUHL-QGZVFWFLSA-N 2 0 339.524 3.194 20 0 EGADRP Cc1cccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000366867799 168150542 /nfs/dbraw/zinc/15/05/42/168150542.db2.gz WADAWEHIDVRLOG-UHFFFAOYSA-N 2 0 329.488 3.050 20 0 EGADRP Cc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)on1 ZINC000367600794 168248122 /nfs/dbraw/zinc/24/81/22/168248122.db2.gz ZWOCOZIZQFEECO-MISYRCLQSA-N 2 0 325.456 3.026 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1OC(F)F ZINC000367703057 168260255 /nfs/dbraw/zinc/26/02/55/168260255.db2.gz MTEDTAUNUPVAHP-ZDUSSCGKSA-N 2 0 337.370 3.020 20 0 EGADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367960984 168289144 /nfs/dbraw/zinc/28/91/44/168289144.db2.gz RVZSDVDYSCAXNH-INIZCTEOSA-N 2 0 343.471 3.323 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1C ZINC000158446146 225015706 /nfs/dbraw/zinc/01/57/06/225015706.db2.gz FDVADAQLKGVECH-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933004 226031334 /nfs/dbraw/zinc/03/13/34/226031334.db2.gz ARUFQGYLPKFYLC-DBXWQHBBSA-N 3 0 329.532 3.491 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000122178357 222030053 /nfs/dbraw/zinc/03/00/53/222030053.db2.gz ITAAEAMGHYZGLU-UHFFFAOYSA-N 2 0 339.911 3.305 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000123675630 222314729 /nfs/dbraw/zinc/31/47/29/222314729.db2.gz GGKSWTWZYDMODO-WNSKOXEYSA-N 2 0 330.497 3.336 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000123675838 222315329 /nfs/dbraw/zinc/31/53/29/222315329.db2.gz GGKSWTWZYDMODO-CMJOXMDJSA-N 2 0 330.497 3.336 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000174411484 265047638 /nfs/dbraw/zinc/04/76/38/265047638.db2.gz GJLNBHKYXYBEFB-GOSISDBHSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[NH+](CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000177394384 265250913 /nfs/dbraw/zinc/25/09/13/265250913.db2.gz AECQPMRAIAJNLK-UHFFFAOYSA-N 2 0 341.540 3.484 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000178854904 265345476 /nfs/dbraw/zinc/34/54/76/265345476.db2.gz OTAXPSSRXYDHNX-OALUTQOASA-N 2 0 337.552 3.158 20 0 EGADRP COc1ccc2oc(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1 ZINC000179297437 265371383 /nfs/dbraw/zinc/37/13/83/265371383.db2.gz YJGPNDUAWZHNQL-IYBDPMFKSA-N 2 0 346.471 3.420 20 0 EGADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180180248 265397131 /nfs/dbraw/zinc/39/71/31/265397131.db2.gz RLGQUNKLPLUCRX-ZGXWSNOMSA-N 2 0 330.516 3.284 20 0 EGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[NH+](C)C ZINC000223973208 266197866 /nfs/dbraw/zinc/19/78/66/266197866.db2.gz GPCVVHFFNZXSSX-HZPDHXFCSA-N 2 0 327.513 3.096 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000236908919 266218924 /nfs/dbraw/zinc/21/89/24/266218924.db2.gz RFPBHWZSRFWQAD-PMACEKPBSA-N 2 0 345.531 3.442 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(C[NH3+])CCCC3)cc2)C1 ZINC000237475029 266234974 /nfs/dbraw/zinc/23/49/74/266234974.db2.gz NQDNLUATIYCCEI-QGZVFWFLSA-N 2 0 343.515 3.054 20 0 EGADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269636981 266331229 /nfs/dbraw/zinc/33/12/29/266331229.db2.gz IZBGGMXXTJYEHY-QFBILLFUSA-N 2 0 338.499 3.065 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911408 267305660 /nfs/dbraw/zinc/30/56/60/267305660.db2.gz NGSUACUAZUATAC-WJMWBRGCSA-N 2 0 329.532 3.359 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)ccn1 ZINC000277215073 267725082 /nfs/dbraw/zinc/72/50/82/267725082.db2.gz KRACZPJWJNGZEW-CVEARBPZSA-N 2 0 337.533 3.032 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@H](C)C1 ZINC000090723357 275153391 /nfs/dbraw/zinc/15/33/91/275153391.db2.gz GVMPRCMYIYSIAG-DYESRHJHSA-N 2 0 346.515 3.202 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172129443 275196868 /nfs/dbraw/zinc/19/68/68/275196868.db2.gz KFAMJEORQFUSGG-GOSISDBHSA-N 2 0 332.492 3.134 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000180712219 275203710 /nfs/dbraw/zinc/20/37/10/275203710.db2.gz ZIMXOYSMFOEBPB-HXUWFJFHSA-N 2 0 349.588 3.419 20 0 EGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278607734 275258870 /nfs/dbraw/zinc/25/88/70/275258870.db2.gz ZXDHFOBRXUKLOB-LJQANCHMSA-N 2 0 334.479 3.237 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000278804938 275276188 /nfs/dbraw/zinc/27/61/88/275276188.db2.gz ZIWSWMUVRVWKIZ-CABCVRRESA-N 2 0 342.430 3.440 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000278804943 275276420 /nfs/dbraw/zinc/27/64/20/275276420.db2.gz ZIWSWMUVRVWKIZ-HUUCEWRRSA-N 2 0 342.430 3.440 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280040295 275395502 /nfs/dbraw/zinc/39/55/02/275395502.db2.gz ITQJIWOFQZXMSH-ILZDJORESA-N 2 0 338.499 3.298 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccccc21 ZINC000283369321 275716163 /nfs/dbraw/zinc/71/61/63/275716163.db2.gz NVYJTTQNENVDMS-PMACEKPBSA-N 2 0 344.499 3.490 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)c1 ZINC000284009202 275767539 /nfs/dbraw/zinc/76/75/39/275767539.db2.gz IDIAKTXANWMKNI-INIZCTEOSA-N 2 0 329.492 3.033 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)C(C)(C)n2cncn2)cc1 ZINC000284108015 275774916 /nfs/dbraw/zinc/77/49/16/275774916.db2.gz NCGGKEYULBMADU-MRXNPFEDSA-N 2 0 329.492 3.033 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000284164730 275779143 /nfs/dbraw/zinc/77/91/43/275779143.db2.gz PZGOMWKTCZWTST-MRXNPFEDSA-N 2 0 329.492 3.033 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095420253 276195039 /nfs/dbraw/zinc/19/50/39/276195039.db2.gz NQDYCPYEPBKBSY-IBGZPJMESA-N 2 0 343.515 3.050 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000356584226 276309329 /nfs/dbraw/zinc/30/93/29/276309329.db2.gz IQTIXEKPKIDGLJ-IBGZPJMESA-N 2 0 331.504 3.011 20 0 EGADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1O ZINC000289251962 276311352 /nfs/dbraw/zinc/31/13/52/276311352.db2.gz LXWXLXBCHNIAMZ-OAHLLOKOSA-N 2 0 336.476 3.154 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000289353401 276326434 /nfs/dbraw/zinc/32/64/34/276326434.db2.gz YFSJGDIWUXTPTI-UZLBHIALSA-N 2 0 340.515 3.079 20 0 EGADRP Cc1cn[nH]c1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000289524172 276352402 /nfs/dbraw/zinc/35/24/02/276352402.db2.gz NYXLZHJJKCJTAV-UHFFFAOYSA-N 2 0 332.879 3.373 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCc3ccccc3C2)cc1O ZINC000289594541 276363482 /nfs/dbraw/zinc/36/34/82/276363482.db2.gz FPMCEKNVAURCJS-INIZCTEOSA-N 2 0 340.467 3.500 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000290420761 276493287 /nfs/dbraw/zinc/49/32/87/276493287.db2.gz USDCPAPOXLEJMQ-OXJNMPFZSA-N 2 0 340.515 3.161 20 0 EGADRP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000181753716 276607944 /nfs/dbraw/zinc/60/79/44/276607944.db2.gz CAKFGWFIFVMBQS-HKUYNNGSSA-N 2 0 331.504 3.036 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3C[C@@H](c4ccccc4)C3(C)C)C2)CC1 ZINC000363803381 277029088 /nfs/dbraw/zinc/02/90/88/277029088.db2.gz JCHOBOOLQPKVML-JBACZVJFSA-N 2 0 341.543 3.327 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353585946 277170379 /nfs/dbraw/zinc/17/03/79/277170379.db2.gz ATNVXTGALNMVRA-SONFCDGGSA-N 2 0 328.500 3.005 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H](C)Sc2sccc21 ZINC000349375844 278172065 /nfs/dbraw/zinc/17/20/65/278172065.db2.gz DJTQHCCRWVVQPF-FMKPAKJESA-N 2 0 339.574 3.289 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353567542 278221628 /nfs/dbraw/zinc/22/16/28/278221628.db2.gz ZLADAEVTADOIEX-UYAOXDASSA-N 2 0 326.488 3.164 20 0 EGADRP C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000183225959 278285382 /nfs/dbraw/zinc/28/53/82/278285382.db2.gz URLSOGZTTCPJAD-KNTRFNDTSA-N 2 0 344.499 3.235 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cnn(C)c1 ZINC000164505862 278358556 /nfs/dbraw/zinc/35/85/56/278358556.db2.gz QVMQRHNROPDTQJ-MRXNPFEDSA-N 2 0 338.455 3.496 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236704028 279177708 /nfs/dbraw/zinc/17/77/08/279177708.db2.gz DGLMKNGYLPSAQY-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)cc1)C(C)C ZINC000343827837 279235777 /nfs/dbraw/zinc/23/57/77/279235777.db2.gz LUGQAXVFXFOAPC-OXJNMPFZSA-N 2 0 343.515 3.129 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)cc1)C(C)C ZINC000343827836 279235793 /nfs/dbraw/zinc/23/57/93/279235793.db2.gz LUGQAXVFXFOAPC-JXFKEZNVSA-N 2 0 343.515 3.129 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000263219952 280164745 /nfs/dbraw/zinc/16/47/45/280164745.db2.gz LSEHSKLVRNLBOJ-QUCCMNQESA-N 2 0 335.536 3.009 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000177315885 289603924 /nfs/dbraw/zinc/60/39/24/289603924.db2.gz LSQVEGOQNWNMPN-UTKZUKDTSA-N 2 0 341.474 3.141 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000375892680 295141053 /nfs/dbraw/zinc/14/10/53/295141053.db2.gz ZMQUTTMSEBEGIB-WBAXXEDZSA-N 2 0 332.488 3.160 20 0 EGADRP COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)cc1 ZINC000192606133 295241697 /nfs/dbraw/zinc/24/16/97/295241697.db2.gz MFYISMFNOGGTBW-QYYYHEGRSA-N 2 0 343.515 3.047 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000414052998 309057980 /nfs/dbraw/zinc/05/79/80/309057980.db2.gz AGKMSFNQDLHCCU-KRWDZBQOSA-N 2 0 339.483 3.407 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cc2n(n1)CCC2 ZINC000414064305 309058604 /nfs/dbraw/zinc/05/86/04/309058604.db2.gz DSHMCDSJISJGTK-HNNXBMFYSA-N 2 0 344.528 3.454 20 0 EGADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000414113537 309061675 /nfs/dbraw/zinc/06/16/75/309061675.db2.gz KTYHXHDQOOQLGP-RYQLBKOJSA-N 2 0 338.536 3.059 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CC1(C)C ZINC000414119122 309062040 /nfs/dbraw/zinc/06/20/40/309062040.db2.gz WFKVEXMPIAXMNU-DLBZAZTESA-N 2 0 337.552 3.027 20 0 EGADRP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(C)c1 ZINC000414160954 309063899 /nfs/dbraw/zinc/06/38/99/309063899.db2.gz JSAHQCVOTKCBDB-INIZCTEOSA-N 2 0 343.471 3.190 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000150997417 307727020 /nfs/dbraw/zinc/72/70/20/307727020.db2.gz SWDTWLMOGHHFBQ-NRFANRHFSA-N 2 0 331.548 3.178 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000414179540 309065082 /nfs/dbraw/zinc/06/50/82/309065082.db2.gz KTCZBOCLAVLPFV-MCYKXBRJSA-N 2 0 334.479 3.408 20 0 EGADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248398012 308002168 /nfs/dbraw/zinc/00/21/68/308002168.db2.gz IOIZHIZSTWXCDS-DOIPELPJSA-N 2 0 330.516 3.284 20 0 EGADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccnc1 ZINC000248494585 308004537 /nfs/dbraw/zinc/00/45/37/308004537.db2.gz KMVKXBJUBYXYKS-SLFFLAALSA-N 2 0 331.504 3.280 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248817989 308012189 /nfs/dbraw/zinc/01/21/89/308012189.db2.gz LDNJSAKVGZLDQO-MEBIHWHUSA-N 2 0 344.499 3.074 20 0 EGADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000292845788 308071735 /nfs/dbraw/zinc/07/17/35/308071735.db2.gz SQLASYGCJYCFLW-UHFFFAOYSA-N 2 0 341.543 3.025 20 0 EGADRP COc1cccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1OC(F)F ZINC000293587324 308144260 /nfs/dbraw/zinc/14/42/60/308144260.db2.gz IEPJAMXGOAQJAK-GOSISDBHSA-N 2 0 340.414 3.214 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293602854 308145674 /nfs/dbraw/zinc/14/56/74/308145674.db2.gz GCTUSSIECLMVQM-HXUWFJFHSA-N 2 0 349.950 3.277 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(O)c2Cl)C[C@@H](C)O1 ZINC000293676345 308151749 /nfs/dbraw/zinc/15/17/49/308151749.db2.gz VDPOLEAEMJLQBC-ZIAGYGMSSA-N 2 0 326.868 3.025 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293764700 308160033 /nfs/dbraw/zinc/16/00/33/308160033.db2.gz ROINLGGXDAWFND-NLWGTHIKSA-N 2 0 345.531 3.039 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(Oc4ccncc4)c3)C2)C1 ZINC000293960483 308177867 /nfs/dbraw/zinc/17/78/67/308177867.db2.gz SZQHHGQOOCIXBR-HXUWFJFHSA-N 2 0 337.423 3.042 20 0 EGADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000294887786 308268073 /nfs/dbraw/zinc/26/80/73/308268073.db2.gz YCSKIQRBZPEHSF-YKTARERQSA-N 2 0 334.529 3.137 20 0 EGADRP CCC[NH+]1CCC(NCc2c(Cl)cccc2-n2ccnc2)CC1 ZINC000295983740 308381629 /nfs/dbraw/zinc/38/16/29/308381629.db2.gz JRAOIHNYPCPTMB-UHFFFAOYSA-N 3 0 332.879 3.490 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706551 309096556 /nfs/dbraw/zinc/09/65/56/309096556.db2.gz YIBLLRSVGAWGAY-JYRKZWEQSA-N 2 0 329.532 3.359 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000414718111 309097181 /nfs/dbraw/zinc/09/71/81/309097181.db2.gz VHVLCIOMSVMBJA-KRWDZBQOSA-N 2 0 344.503 3.406 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414670756 309094708 /nfs/dbraw/zinc/09/47/08/309094708.db2.gz MMCQVAVYAMEFOM-ZYSHUDEJSA-N 2 0 338.499 3.339 20 0 EGADRP C[C@@H](C[NH3+])N(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414718041 309097219 /nfs/dbraw/zinc/09/72/19/309097219.db2.gz VCFHBDFMHIRUDL-HNNXBMFYSA-N 2 0 332.492 3.262 20 0 EGADRP CCOc1cc2c(cc1OCC)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414682057 309095175 /nfs/dbraw/zinc/09/51/75/309095175.db2.gz XNCYUKKIOTZJAW-CVEARBPZSA-N 2 0 332.488 3.230 20 0 EGADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000414772214 309100008 /nfs/dbraw/zinc/10/00/08/309100008.db2.gz BKWDFIMBUYKBJG-QZTJIDSGSA-N 2 0 325.456 3.472 20 0 EGADRP COc1ccc(Br)c(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414752467 309098847 /nfs/dbraw/zinc/09/88/47/309098847.db2.gz KSZJHGHPOVDGMD-STQMWFEESA-N 2 0 341.293 3.278 20 0 EGADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)OCCc2sccc21 ZINC000297549091 308544503 /nfs/dbraw/zinc/54/45/03/308544503.db2.gz ZITBAFWQXHOEFM-IBGZPJMESA-N 2 0 343.496 3.190 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414772815 309099903 /nfs/dbraw/zinc/09/99/03/309099903.db2.gz CNLOPFUTYYMMCU-UONOGXRCSA-N 2 0 340.414 3.118 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000414776661 309100357 /nfs/dbraw/zinc/10/03/57/309100357.db2.gz HIOCXARPMZEYBZ-KBPBESRZSA-N 2 0 340.414 3.118 20 0 EGADRP C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297829099 308566539 /nfs/dbraw/zinc/56/65/39/308566539.db2.gz ZNELJZPOLOGQEO-WMLDXEAASA-N 2 0 331.485 3.214 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414780797 309100575 /nfs/dbraw/zinc/10/05/75/309100575.db2.gz LYQFGIZYRXMZHE-AABGKKOBSA-N 2 0 328.500 3.184 20 0 EGADRP FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783193 309100837 /nfs/dbraw/zinc/10/08/37/309100837.db2.gz PNUSGQNTZLNWJC-UONOGXRCSA-N 2 0 328.378 3.407 20 0 EGADRP c1cnc(Oc2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414784601 309100923 /nfs/dbraw/zinc/10/09/23/309100923.db2.gz RMNGMJCIGSVXBB-ZWKOTPCHSA-N 2 0 338.455 3.090 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000414785188 309101015 /nfs/dbraw/zinc/10/10/15/309101015.db2.gz JELGOPKXRDJPMT-RTWAWAEBSA-N 2 0 337.467 3.077 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000414786762 309101076 /nfs/dbraw/zinc/10/10/76/309101076.db2.gz LGQFNTHKBRDNBN-CVEARBPZSA-N 2 0 346.368 3.173 20 0 EGADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000414788532 309101287 /nfs/dbraw/zinc/10/12/87/309101287.db2.gz WWVBAZMQCWGWOI-ZIAGYGMSSA-N 2 0 341.268 3.410 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000414788064 309101360 /nfs/dbraw/zinc/10/13/60/309101360.db2.gz MXFCGRUSYVTIIT-QUCCMNQESA-N 2 0 344.430 3.414 20 0 EGADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000414788529 309101387 /nfs/dbraw/zinc/10/13/87/309101387.db2.gz WWVBAZMQCWGWOI-KBPBESRZSA-N 2 0 341.268 3.410 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000414789193 309101484 /nfs/dbraw/zinc/10/14/84/309101484.db2.gz XXOBLKCMFQLDDV-HUUCEWRRSA-N 2 0 330.501 3.095 20 0 EGADRP c1cc(NC2CC[NH+](C3CC3)CC2)ccc1CC[NH+]1CCSCC1 ZINC000298300006 308601707 /nfs/dbraw/zinc/60/17/07/308601707.db2.gz HPAODFAMGVCFKT-UHFFFAOYSA-N 2 0 345.556 3.317 20 0 EGADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414808693 309102760 /nfs/dbraw/zinc/10/27/60/309102760.db2.gz SONQKQZSQHDBDC-SMDDNHRTSA-N 2 0 327.266 3.065 20 0 EGADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000309884259 308763116 /nfs/dbraw/zinc/76/31/16/308763116.db2.gz YFGLZAKZSGAUPY-HNNXBMFYSA-N 2 0 327.513 3.001 20 0 EGADRP [NH3+]C1(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C2CC3CC(C2)CC1C3 ZINC000333765237 308867874 /nfs/dbraw/zinc/86/78/74/308867874.db2.gz BDWGGQJIGUAJDV-UJWXZWMESA-N 2 0 339.527 3.223 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000411462463 308940047 /nfs/dbraw/zinc/94/00/47/308940047.db2.gz KBNRNPVBQVKUTR-HNNXBMFYSA-N 2 0 349.544 3.050 20 0 EGADRP [NH3+]C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000414855039 309105770 /nfs/dbraw/zinc/10/57/70/309105770.db2.gz VUKYXYPDEHLWLO-NRFANRHFSA-N 2 0 329.532 3.191 20 0 EGADRP C[C@H](CC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414887257 309107281 /nfs/dbraw/zinc/10/72/81/309107281.db2.gz DFDUTVRLPGNOHP-QGZVFWFLSA-N 2 0 334.467 3.425 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000414898658 309108244 /nfs/dbraw/zinc/10/82/44/309108244.db2.gz SZKFNBMJQXTVTO-JOYOIKCWSA-N 2 0 344.299 3.386 20 0 EGADRP [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414971814 309112330 /nfs/dbraw/zinc/11/23/30/309112330.db2.gz WUZZKIWBDBHVKR-IBGZPJMESA-N 2 0 344.503 3.060 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414978652 309112584 /nfs/dbraw/zinc/11/25/84/309112584.db2.gz UCVKGYYXBXCSEF-CQSZACIVSA-N 2 0 326.868 3.369 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000414989130 309113030 /nfs/dbraw/zinc/11/30/30/309113030.db2.gz GSXJAZQNONQTIZ-FUHWJXTLSA-N 2 0 325.456 3.268 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414995951 309113319 /nfs/dbraw/zinc/11/33/19/309113319.db2.gz NZOOYKRBCJIIQB-WCQYABFASA-N 2 0 340.393 3.199 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414998903 309113467 /nfs/dbraw/zinc/11/34/67/309113467.db2.gz RCKCXAZFUYIKNN-KLHFOMLHSA-N 2 0 347.934 3.410 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415001731 309113665 /nfs/dbraw/zinc/11/36/65/309113665.db2.gz LIBHWQYAHDCCKV-SQWLQELKSA-N 2 0 337.895 3.473 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000415007443 309113989 /nfs/dbraw/zinc/11/39/89/309113989.db2.gz RJSLEWNQKSIYQH-OCCSQVGLSA-N 2 0 345.468 3.146 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000415010039 309114015 /nfs/dbraw/zinc/11/40/15/309114015.db2.gz URXZVRVCTCBCKK-RZQVSUQPSA-N 3 0 327.516 3.289 20 0 EGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000415012796 309114223 /nfs/dbraw/zinc/11/42/23/309114223.db2.gz XLWQQUHPEDPNGF-CABCVRRESA-N 2 0 349.906 3.052 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000415027186 309115152 /nfs/dbraw/zinc/11/51/52/309115152.db2.gz VTZKOOOFWWPOGL-BGJPATFMSA-N 3 0 341.543 3.252 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC000415028437 309115187 /nfs/dbraw/zinc/11/51/87/309115187.db2.gz YLVMWQAMRFYIDV-SZMVWBNQSA-N 2 0 331.504 3.375 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415031926 309115462 /nfs/dbraw/zinc/11/54/62/309115462.db2.gz HKIZBUKQUJCJQE-IEBWSBKVSA-N 2 0 340.467 3.491 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000415040748 309116069 /nfs/dbraw/zinc/11/60/69/309116069.db2.gz PIBLURYJYRQWSX-IAQYHMDHSA-N 2 0 338.377 3.313 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000415053278 309116741 /nfs/dbraw/zinc/11/67/41/309116741.db2.gz MJWYEWXAYPTJLJ-INIZCTEOSA-N 2 0 329.410 3.083 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415054105 309116875 /nfs/dbraw/zinc/11/68/75/309116875.db2.gz FCKQKZNDCGHKGQ-LBPRGKRZSA-N 2 0 329.282 3.455 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@@H](C)C[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066772 309117894 /nfs/dbraw/zinc/11/78/94/309117894.db2.gz AXGQDOMOMXYWSC-ROUUACIJSA-N 2 0 330.520 3.079 20 0 EGADRP c1c(C[NH2+]CCC[NH2+]C2CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000415067968 309118206 /nfs/dbraw/zinc/11/82/06/309118206.db2.gz LVRCNXQUQACJIV-UHFFFAOYSA-N 2 0 347.466 3.166 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415081097 309118816 /nfs/dbraw/zinc/11/88/16/309118816.db2.gz KAFVMBIQVNPGEC-AZUAARDMSA-N 2 0 340.515 3.374 20 0 EGADRP C[C@H]1C[C@@H](C[NH2+]CC2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC000415082560 309119064 /nfs/dbraw/zinc/11/90/64/309119064.db2.gz LYPGGRXIKGZPAO-KBPBESRZSA-N 2 0 337.305 3.458 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415085509 309119345 /nfs/dbraw/zinc/11/93/45/309119345.db2.gz QSYFNHTXVLHAJK-IGGJEDBVSA-N 2 0 346.515 3.432 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H](C)C[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000415094981 309119901 /nfs/dbraw/zinc/11/99/01/309119901.db2.gz YJBCHQVEAWFJMN-PKOBYXMFSA-N 2 0 346.515 3.254 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)C1 ZINC000415122679 309121914 /nfs/dbraw/zinc/12/19/14/309121914.db2.gz KGCJGDJMMMRNCV-TZIWHRDSSA-N 2 0 344.499 3.194 20 0 EGADRP CC(C)Oc1ccccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415126502 309122130 /nfs/dbraw/zinc/12/21/30/309122130.db2.gz PJWPTRGYRXBNBQ-ICSRJNTNSA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000415125052 309122245 /nfs/dbraw/zinc/12/22/45/309122245.db2.gz NMNMCPTZLDBFCB-WMLDXEAASA-N 2 0 326.843 3.197 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415133649 309122853 /nfs/dbraw/zinc/12/28/53/309122853.db2.gz VJBVPNVZQGBCKY-HIFRSBDPSA-N 2 0 332.879 3.251 20 0 EGADRP Cc1cc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000415138901 309123205 /nfs/dbraw/zinc/12/32/05/309123205.db2.gz VWAJIBXOFHXFPQ-UHFFFAOYSA-N 2 0 341.474 3.217 20 0 EGADRP NC1(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137516 309123245 /nfs/dbraw/zinc/12/32/45/309123245.db2.gz UFSKYDDLJJMCEO-PMACEKPBSA-N 2 0 327.516 3.148 20 0 EGADRP NC1(C[NH2+]C/C=C\c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140418 309123394 /nfs/dbraw/zinc/12/33/94/309123394.db2.gz ZEWOVBYOJKLSMA-GHXNOFRVSA-N 2 0 335.495 3.283 20 0 EGADRP [NH3+]CC1(O)CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000415141602 309123410 /nfs/dbraw/zinc/12/34/10/309123410.db2.gz NIVIRNUJQPNBAE-UHFFFAOYSA-N 2 0 331.287 3.102 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccco1 ZINC000415916570 309148381 /nfs/dbraw/zinc/14/83/81/309148381.db2.gz HMENBNJAAVFTQF-KRWDZBQOSA-N 2 0 344.459 3.204 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000415924425 309148963 /nfs/dbraw/zinc/14/89/63/309148963.db2.gz YCXLCJFBZXTLPM-LJQANCHMSA-N 2 0 340.471 3.139 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000415945971 309150642 /nfs/dbraw/zinc/15/06/42/309150642.db2.gz SHRPXUFBXCGTIA-UHFFFAOYSA-N 2 0 346.519 3.286 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415972231 309152114 /nfs/dbraw/zinc/15/21/14/309152114.db2.gz HRKDVDAALKPYKQ-HNNXBMFYSA-N 2 0 340.471 3.396 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000415972922 309152196 /nfs/dbraw/zinc/15/21/96/309152196.db2.gz NKOOCYRBZPDOSB-CALCHBBNSA-N 2 0 346.519 3.286 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416153833 309161185 /nfs/dbraw/zinc/16/11/85/309161185.db2.gz GBTWHJQVPKYYPX-YTQUADARSA-N 2 0 331.504 3.011 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000416165818 309161724 /nfs/dbraw/zinc/16/17/24/309161724.db2.gz IEXHKZVJAVEWDG-PMACEKPBSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@H](CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000416196656 309163291 /nfs/dbraw/zinc/16/32/91/309163291.db2.gz HLZSDYNBOHBGGS-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418047714 309233039 /nfs/dbraw/zinc/23/30/39/309233039.db2.gz QPCPIYUPKPBAHH-HKUYNNGSSA-N 2 0 346.519 3.030 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)C ZINC000418101126 309235533 /nfs/dbraw/zinc/23/55/33/309235533.db2.gz PHYPAKPRCOEQTD-FQEVSTJZSA-N 2 0 347.547 3.368 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000420305779 309280658 /nfs/dbraw/zinc/28/06/58/309280658.db2.gz KMEMYNLAKKOHRE-UHFFFAOYSA-N 2 0 332.879 3.347 20 0 EGADRP OCCC[N@H+](CC[C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420309397 309281054 /nfs/dbraw/zinc/28/10/54/309281054.db2.gz TUOVFHHBTOHDOT-IBGZPJMESA-N 2 0 338.495 3.460 20 0 EGADRP c1cc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313142 309281200 /nfs/dbraw/zinc/28/12/00/309281200.db2.gz PEBRZCBXNKKKHQ-WMZOPIPTSA-N 3 0 333.545 3.082 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420314993 309281473 /nfs/dbraw/zinc/28/14/73/309281473.db2.gz RISIUHFNWMKMOK-CQSZACIVSA-N 2 0 330.428 3.170 20 0 EGADRP CC[C@@H](C)[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420318283 309281709 /nfs/dbraw/zinc/28/17/09/309281709.db2.gz OILINXJOFLKCOH-CVEARBPZSA-N 2 0 342.487 3.326 20 0 EGADRP Cc1ccc(C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C(C)C)s1 ZINC000420327822 309282584 /nfs/dbraw/zinc/28/25/84/309282584.db2.gz YWTZAMUFFRSOOQ-OALUTQOASA-N 2 0 332.513 3.198 20 0 EGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332705 309282903 /nfs/dbraw/zinc/28/29/03/309282903.db2.gz SEHZPHKJLNSVCF-HZSPNIEDSA-N 2 0 332.473 3.181 20 0 EGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339459 309283330 /nfs/dbraw/zinc/28/33/30/309283330.db2.gz YZNSPUWZGGBLEZ-XJKSGUPXSA-N 2 0 342.405 3.454 20 0 EGADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420373357 309284701 /nfs/dbraw/zinc/28/47/01/309284701.db2.gz GIVLVBRPSOUCKA-SJLPKXTDSA-N 2 0 338.879 3.067 20 0 EGADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420393854 309286218 /nfs/dbraw/zinc/28/62/18/309286218.db2.gz YUPIFVYONWIWHL-UHFFFAOYSA-N 2 0 341.455 3.349 20 0 EGADRP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000420397366 309286401 /nfs/dbraw/zinc/28/64/01/309286401.db2.gz FZSOBAATQZGLIL-RDJZCZTQSA-N 2 0 325.456 3.085 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000421840931 309342780 /nfs/dbraw/zinc/34/27/80/309342780.db2.gz JGLYGGBKOUHSNY-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421849239 309343212 /nfs/dbraw/zinc/34/32/12/309343212.db2.gz BMECSZOIRSEYTD-CTNGQTDRSA-N 2 0 335.495 3.441 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1OCc1ccncc1 ZINC000422698255 309363704 /nfs/dbraw/zinc/36/37/04/309363704.db2.gz YKAXOKCSVHVLRC-HOTGVXAUSA-N 2 0 343.471 3.447 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422708883 309364054 /nfs/dbraw/zinc/36/40/54/309364054.db2.gz CHTJLPUCOSBJQC-PCCBWWKXSA-N 3 0 345.531 3.027 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422712538 309364303 /nfs/dbraw/zinc/36/43/03/309364303.db2.gz IMIVFLDQIRYWLA-NHCUHLMSSA-N 2 0 339.483 3.252 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723336 309365034 /nfs/dbraw/zinc/36/50/34/309365034.db2.gz RBPWMLIYZMEQJI-BEFAXECRSA-N 2 0 337.458 3.036 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422757549 309366781 /nfs/dbraw/zinc/36/67/81/309366781.db2.gz JQGOZOVWTGUTGL-HOTGVXAUSA-N 2 0 342.405 3.223 20 0 EGADRP Fc1ccccc1OCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422755724 309366878 /nfs/dbraw/zinc/36/68/78/309366878.db2.gz KYOUHRAMDDEGLH-XLIONFOSSA-N 2 0 342.414 3.050 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422766708 309367266 /nfs/dbraw/zinc/36/72/66/309367266.db2.gz XPDAABNKLOXNDR-WIYYLYMNSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422773262 309367597 /nfs/dbraw/zinc/36/75/97/309367597.db2.gz ZOUATVPUHSKRKC-KBPBESRZSA-N 2 0 344.421 3.469 20 0 EGADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(Br)c1 ZINC000422788527 309368207 /nfs/dbraw/zinc/36/82/07/309368207.db2.gz AWCYTSSYHQHVIY-YXQSOJMXSA-N 2 0 339.277 3.089 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000422793591 309368619 /nfs/dbraw/zinc/36/86/19/309368619.db2.gz FVSJCWPKNBXKMK-STQMWFEESA-N 2 0 329.282 3.324 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Oc1ccc(Br)cc1 ZINC000422796509 309368955 /nfs/dbraw/zinc/36/89/55/309368955.db2.gz JTPPJNHSLVTFHA-XJKCOSOUSA-N 2 0 341.293 3.194 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)Oc1ccc(Br)cc1 ZINC000422798231 309369140 /nfs/dbraw/zinc/36/91/40/309369140.db2.gz QFHCEMCJNJBIDJ-CHWSQXEVSA-N 2 0 329.282 3.324 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(c3ccccc3)CCC2)CC[NH2+]CC1 ZINC000422805728 309369505 /nfs/dbraw/zinc/36/95/05/309369505.db2.gz HGLNXMOGXJDIBB-QGZVFWFLSA-N 2 0 344.499 3.019 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000422813369 309369918 /nfs/dbraw/zinc/36/99/18/309369918.db2.gz RRASIZGJKAAKJD-GJZGRUSLSA-N 2 0 335.455 3.446 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000422823889 309370384 /nfs/dbraw/zinc/37/03/84/309370384.db2.gz MNKHJUMAJZFDEU-YESZJQIVSA-N 2 0 330.472 3.203 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422839663 309371414 /nfs/dbraw/zinc/37/14/14/309371414.db2.gz ABWFXOXOZDZQTB-JJRVBVJISA-N 2 0 338.442 3.119 20 0 EGADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845139 309371642 /nfs/dbraw/zinc/37/16/42/309371642.db2.gz NORWUBNGDPMENA-BHIFYINESA-N 2 0 341.543 3.204 20 0 EGADRP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422860821 309372410 /nfs/dbraw/zinc/37/24/10/309372410.db2.gz LWCNZMGAAPZEMK-VAMGGRTRSA-N 2 0 341.499 3.214 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422861246 309372599 /nfs/dbraw/zinc/37/25/99/309372599.db2.gz NRVNKOKTIBGQKP-CWFSZBLJSA-N 2 0 326.440 3.321 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[NH+]2CCCC2)o1 ZINC000422880845 309373687 /nfs/dbraw/zinc/37/36/87/309373687.db2.gz OYPMIIDGKWINNX-QRVBRYPASA-N 2 0 325.456 3.459 20 0 EGADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(OC(F)F)c1 ZINC000422888169 309374189 /nfs/dbraw/zinc/37/41/89/309374189.db2.gz MITZZFSQWOFNMU-WFASDCNBSA-N 2 0 328.403 3.294 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000422888495 309374213 /nfs/dbraw/zinc/37/42/13/309374213.db2.gz NBAUWFAPNMJHHV-JXFKEZNVSA-N 2 0 339.483 3.233 20 0 EGADRP c1cc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCCC2)cc2c1OCO2 ZINC000422899715 309375001 /nfs/dbraw/zinc/37/50/01/309375001.db2.gz OYOVSWIWEPRBQC-JWTNVVGKSA-N 2 0 342.483 3.490 20 0 EGADRP COc1ccc(OCCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422898499 309375013 /nfs/dbraw/zinc/37/50/13/309375013.db2.gz MGJFSLZJQFKOIJ-JXFKEZNVSA-N 2 0 328.456 3.012 20 0 EGADRP COc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422903765 309375412 /nfs/dbraw/zinc/37/54/12/309375412.db2.gz WLNQJMMPCVJACW-VAMGGRTRSA-N 2 0 332.488 3.365 20 0 EGADRP COc1ccc(COCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422904320 309375491 /nfs/dbraw/zinc/37/54/91/309375491.db2.gz GUHJYUQWURQIJZ-ZCNNSNEGSA-N 2 0 332.488 3.112 20 0 EGADRP COc1ccc(COCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422914001 309376019 /nfs/dbraw/zinc/37/60/19/309376019.db2.gz ZPQJBTVNRVUMTM-WOJBJXKFSA-N 2 0 326.440 3.336 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422930956 309376630 /nfs/dbraw/zinc/37/66/30/309376630.db2.gz AGLJNURBGYOXPD-DOMZBBRYSA-N 2 0 329.257 3.238 20 0 EGADRP c1ccc2sc(N3CCC([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)nc2c1 ZINC000422935768 309377070 /nfs/dbraw/zinc/37/70/70/309377070.db2.gz DPBPMJDURXYGMV-XYPWUTKMSA-N 2 0 342.512 3.138 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422951680 309377700 /nfs/dbraw/zinc/37/77/00/309377700.db2.gz ZRXVBRPKXGWUFL-GOEBONIOSA-N 2 0 344.528 3.385 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422953021 309377802 /nfs/dbraw/zinc/37/78/02/309377802.db2.gz DSRCKXCVLBCJRF-ZFWWWQNUSA-N 2 0 334.851 3.040 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)c2ccccc21 ZINC000422960764 309378455 /nfs/dbraw/zinc/37/84/55/309378455.db2.gz XQIZGLLNULKGFW-RBUKOAKNSA-N 2 0 335.451 3.090 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422963640 309378530 /nfs/dbraw/zinc/37/85/30/309378530.db2.gz JGMNHNOEFIXFBM-UZLBHIALSA-N 2 0 326.488 3.091 20 0 EGADRP COCCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423004370 309380432 /nfs/dbraw/zinc/38/04/32/309380432.db2.gz OUIHFJLVLOGCSX-HSALFYBXSA-N 2 0 332.488 3.112 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005369 309380542 /nfs/dbraw/zinc/38/05/42/309380542.db2.gz RRAYXGRESFYLBF-CJNGLKHVSA-N 2 0 330.394 3.243 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423009053 309380717 /nfs/dbraw/zinc/38/07/17/309380717.db2.gz BUYHGXSKZXTVEW-NEWSRXKRSA-N 2 0 329.492 3.062 20 0 EGADRP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423012593 309381029 /nfs/dbraw/zinc/38/10/29/309381029.db2.gz LDDKJEPBIMDJRL-PBWTXFEYSA-N 2 0 331.479 3.305 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423019798 309381348 /nfs/dbraw/zinc/38/13/48/309381348.db2.gz XFJSCUPJMZTDGR-RQUSPXKASA-N 2 0 347.409 3.308 20 0 EGADRP COc1cc(F)cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423019824 309381392 /nfs/dbraw/zinc/38/13/92/309381392.db2.gz XIJXAPVVUMOUMI-QUCCMNQESA-N 2 0 342.414 3.180 20 0 EGADRP CCCCCn1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)n1 ZINC000423024199 309381516 /nfs/dbraw/zinc/38/15/16/309381516.db2.gz LGBBLGBTGGYAQC-HNNXBMFYSA-N 2 0 329.492 3.395 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423027025 309381902 /nfs/dbraw/zinc/38/19/02/309381902.db2.gz CROAVEQZYUJPFO-NWDGAFQWSA-N 2 0 329.282 3.106 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423033204 309382059 /nfs/dbraw/zinc/38/20/59/309382059.db2.gz ZEADPOYNSGOWMB-MRRJBJDNSA-N 3 0 327.875 3.189 20 0 EGADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccc(F)cc21 ZINC000423044356 309382904 /nfs/dbraw/zinc/38/29/04/309382904.db2.gz AHZQPRZVNSRPMX-IPMKNSEASA-N 2 0 329.463 3.370 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423062365 309383712 /nfs/dbraw/zinc/38/37/12/309383712.db2.gz MUSXXGLPIXOMLO-DHSIGJKJSA-N 2 0 338.442 3.119 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423063591 309383957 /nfs/dbraw/zinc/38/39/57/309383957.db2.gz PGUWVGRIJULQIV-HOCLYGCPSA-N 2 0 335.458 3.161 20 0 EGADRP [NH3+]CC1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000423074052 309384472 /nfs/dbraw/zinc/38/44/72/309384472.db2.gz KTXMIWAHESYRCF-DXBWTPJFSA-N 2 0 334.479 3.007 20 0 EGADRP C[C@@H](O)[C@](C)(C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])Cc1ccccc1 ZINC000423079089 309384837 /nfs/dbraw/zinc/38/48/37/309384837.db2.gz QADFUMQFOFVOPT-UDKICSLYSA-N 2 0 340.511 3.164 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000423095640 309385700 /nfs/dbraw/zinc/38/57/00/309385700.db2.gz MTYXOPIVNSDCDG-YGRLFVJLSA-N 2 0 338.801 3.499 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000423125136 309387273 /nfs/dbraw/zinc/38/72/73/309387273.db2.gz NASZPMDNFQSFEG-RLLQIKCJSA-N 2 0 333.520 3.184 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423134216 309387625 /nfs/dbraw/zinc/38/76/25/309387625.db2.gz DRFAEIRYUPDLPZ-HMXCVIKNSA-N 3 0 329.532 3.266 20 0 EGADRP CCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423199925 309390164 /nfs/dbraw/zinc/39/01/64/309390164.db2.gz CWZLSJSMAPGLNU-MRXNPFEDSA-N 2 0 329.410 3.041 20 0 EGADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000423206858 309390424 /nfs/dbraw/zinc/39/04/24/309390424.db2.gz CGWZTKMIDFLGGI-VCANKDNSSA-N 2 0 333.867 3.150 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423269922 309393348 /nfs/dbraw/zinc/39/33/48/309393348.db2.gz HJDGDYCMDVJUFT-IIBYNOLFSA-N 2 0 342.483 3.433 20 0 EGADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000423312310 309394843 /nfs/dbraw/zinc/39/48/43/309394843.db2.gz RNPQVOUIFMBFNG-IBGZPJMESA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000423317549 309395023 /nfs/dbraw/zinc/39/50/23/309395023.db2.gz BTBDECRKAKIVBF-UZLBHIALSA-N 2 0 337.467 3.273 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423336362 309395712 /nfs/dbraw/zinc/39/57/12/309395712.db2.gz SKGKBQQNHPCZNJ-AWEZNQCLSA-N 2 0 330.451 3.360 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)ccc1OC(F)F ZINC000423341786 309396121 /nfs/dbraw/zinc/39/61/21/309396121.db2.gz WXLGTLIIQIUTHI-LBPRGKRZSA-N 2 0 328.403 3.337 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423341889 309396179 /nfs/dbraw/zinc/39/61/79/309396179.db2.gz KNJWCZOPIMBHHH-OAHLLOKOSA-N 2 0 337.261 3.172 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@H](C)[NH3+] ZINC000423373586 309397587 /nfs/dbraw/zinc/39/75/87/309397587.db2.gz HSHVSFDTTYCOTR-FXAWDEMLSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(I)cc1 ZINC000423378720 309397844 /nfs/dbraw/zinc/39/78/44/309397844.db2.gz ZQECMASYPLMDFW-SMDDNHRTSA-N 2 0 344.240 3.084 20 0 EGADRP CC(C)CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccoc1 ZINC000423387596 309398167 /nfs/dbraw/zinc/39/81/67/309398167.db2.gz MFJHXNXTBLIINB-HOTGVXAUSA-N 2 0 347.425 3.183 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC[NH2+]CC1 ZINC000423385401 309398208 /nfs/dbraw/zinc/39/82/08/309398208.db2.gz IOCQKQOPGKXFSK-CYBMUJFWSA-N 2 0 326.868 3.015 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC[NH2+]CC1 ZINC000423399603 309398537 /nfs/dbraw/zinc/39/85/37/309398537.db2.gz DZLYXZWGRIDDFK-CYBMUJFWSA-N 2 0 346.393 3.252 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000423398874 309398619 /nfs/dbraw/zinc/39/86/19/309398619.db2.gz DKRNNBRNFNSVAJ-HNNXBMFYSA-N 2 0 345.512 3.477 20 0 EGADRP COC[C@@]1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCC[NH2+]1 ZINC000423414241 309399375 /nfs/dbraw/zinc/39/93/75/309399375.db2.gz MIOCZERINYFDRN-JFILPPLUSA-N 2 0 328.909 3.252 20 0 EGADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423423257 309399796 /nfs/dbraw/zinc/39/97/96/309399796.db2.gz BWHIXELLPFAHGZ-YSIASYRMSA-N 2 0 326.484 3.367 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)cc1 ZINC000423425951 309399878 /nfs/dbraw/zinc/39/98/78/309399878.db2.gz DSUSHXGXKBQKRK-ZCNNSNEGSA-N 2 0 325.431 3.288 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423424212 309399902 /nfs/dbraw/zinc/39/99/02/309399902.db2.gz FMLAEVUYGFVXPD-NBYUQASBSA-N 2 0 348.918 3.408 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423434271 309400303 /nfs/dbraw/zinc/40/03/03/309400303.db2.gz KJNUMHQGHRIFKF-GVDBMIGSSA-N 2 0 335.289 3.414 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423456527 309401001 /nfs/dbraw/zinc/40/10/01/309401001.db2.gz NZZAJIDIIFLWEI-LMMKCTJWSA-N 2 0 349.906 3.028 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423459476 309401024 /nfs/dbraw/zinc/40/10/24/309401024.db2.gz RGNCPYPQBLQCEH-GJZGRUSLSA-N 2 0 338.517 3.181 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(Cl)c1 ZINC000423563995 309406380 /nfs/dbraw/zinc/40/63/80/309406380.db2.gz RYVMPGTXKYBPNQ-CQSZACIVSA-N 2 0 335.879 3.265 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000423727262 309410914 /nfs/dbraw/zinc/41/09/14/309410914.db2.gz KMJXHXCHNRHTJT-LJQANCHMSA-N 2 0 339.483 3.091 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423791222 309412901 /nfs/dbraw/zinc/41/29/01/309412901.db2.gz HFHZAMBWWRQRHK-UXHICEINSA-N 2 0 349.563 3.399 20 0 EGADRP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423804068 309413586 /nfs/dbraw/zinc/41/35/86/309413586.db2.gz XJHONDPMIVMWCQ-ZCNNSNEGSA-N 2 0 347.547 3.022 20 0 EGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423805221 309413660 /nfs/dbraw/zinc/41/36/60/309413660.db2.gz YZAXAECCIZGXLE-MOPGFXCFSA-N 2 0 335.536 3.009 20 0 EGADRP [NH3+]CCOc1ccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000424160576 309431460 /nfs/dbraw/zinc/43/14/60/309431460.db2.gz XFDNMRGHVIFUQT-INIZCTEOSA-N 2 0 333.476 3.041 20 0 EGADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424189690 309432379 /nfs/dbraw/zinc/43/23/79/309432379.db2.gz DRUAXJAQNCDZIW-ICSRJNTNSA-N 2 0 349.563 3.301 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC[C@H](C(=O)OC)c2ccccc2)CC1 ZINC000425407244 309478465 /nfs/dbraw/zinc/47/84/65/309478465.db2.gz ORCZOYKUGCQTNK-FQEVSTJZSA-N 2 0 346.515 3.387 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)N1CC[NH+](C)CC1 ZINC000428862212 309563333 /nfs/dbraw/zinc/56/33/33/309563333.db2.gz MSHMESWURUEDMF-AWEZNQCLSA-N 2 0 349.466 3.129 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000430579432 309611708 /nfs/dbraw/zinc/61/17/08/309611708.db2.gz GINRFHTYWCYROP-WBVHZDCISA-N 2 0 349.544 3.122 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430595546 309612335 /nfs/dbraw/zinc/61/23/35/309612335.db2.gz MVOKMJMEZLHXQJ-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000433123640 309679342 /nfs/dbraw/zinc/67/93/42/309679342.db2.gz VYYYWJHXNYBYMD-UHFFFAOYSA-N 2 0 337.467 3.495 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000433132919 309679596 /nfs/dbraw/zinc/67/95/96/309679596.db2.gz NCWOPKHGQIORAE-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP Cc1ccc([C@@H]2CCCCN2C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433157644 309680268 /nfs/dbraw/zinc/68/02/68/309680268.db2.gz NEAAVVOQSXUGIE-FQEVSTJZSA-N 2 0 343.515 3.252 20 0 EGADRP C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433168444 309680554 /nfs/dbraw/zinc/68/05/54/309680554.db2.gz RVEQWHUFJSSEKL-AWEZNQCLSA-N 2 0 337.895 3.063 20 0 EGADRP C[NH+](C)[C@@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000433319291 309685837 /nfs/dbraw/zinc/68/58/37/309685837.db2.gz QUMTWYVISZVURT-FQEVSTJZSA-N 2 0 343.515 3.156 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000435374876 309730079 /nfs/dbraw/zinc/73/00/79/309730079.db2.gz RWOXKYYVXPMUJR-UHFFFAOYSA-N 2 0 347.466 3.105 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCC([NH3+])CC1 ZINC000437773260 309799235 /nfs/dbraw/zinc/79/92/35/309799235.db2.gz LQCMKDODGOPVHA-HIFPTAJRSA-N 2 0 343.393 3.282 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)Cc1coc2ccccc12)N1CC[NH+](C)CC1 ZINC000449074295 310035039 /nfs/dbraw/zinc/03/50/39/310035039.db2.gz KGFXMAJOGYLNCH-XLIONFOSSA-N 2 0 343.515 3.225 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449130032 310039089 /nfs/dbraw/zinc/03/90/89/310039089.db2.gz FMNUMYJBHQQOGP-ROUUACIJSA-N 2 0 343.515 3.227 20 0 EGADRP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000449137940 310039502 /nfs/dbraw/zinc/03/95/02/310039502.db2.gz ZLOMDSBQVGYOEB-LJQANCHMSA-N 2 0 337.511 3.388 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449163354 310041341 /nfs/dbraw/zinc/04/13/41/310041341.db2.gz LYPRGURFBKEAGC-SJLPKXTDSA-N 2 0 336.907 3.098 20 0 EGADRP COc1cccc2c(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)cccc12 ZINC000449282629 310049953 /nfs/dbraw/zinc/04/99/53/310049953.db2.gz IHTWAYZGMKNCEN-QGZVFWFLSA-N 2 0 342.483 3.439 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000449310763 310052295 /nfs/dbraw/zinc/05/22/95/310052295.db2.gz IILKRDWMUGVUKR-MSOLQXFVSA-N 2 0 349.563 3.409 20 0 EGADRP Cc1nnc(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)s1 ZINC000449329429 310053968 /nfs/dbraw/zinc/05/39/68/310053968.db2.gz OEUMKSXNEMLKHB-OAHLLOKOSA-N 2 0 344.528 3.074 20 0 EGADRP Cc1nnc(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)s1 ZINC000449329428 310053982 /nfs/dbraw/zinc/05/39/82/310053982.db2.gz OEUMKSXNEMLKHB-HNNXBMFYSA-N 2 0 344.528 3.074 20 0 EGADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449714820 310082194 /nfs/dbraw/zinc/08/21/94/310082194.db2.gz AEMLWOVEJCYMOM-IPMKNSEASA-N 2 0 330.516 3.284 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OCC(C)C)cc2)CC1 ZINC000449746472 310083847 /nfs/dbraw/zinc/08/38/47/310083847.db2.gz RVBYSGXLXHHAQD-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000449747440 310084098 /nfs/dbraw/zinc/08/40/98/310084098.db2.gz WYGKDTZEVAIGRY-UHFFFAOYSA-N 2 0 341.902 3.027 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000449799805 310088034 /nfs/dbraw/zinc/08/80/34/310088034.db2.gz AWRIUEVMQASCET-ROUUACIJSA-N 2 0 349.544 3.264 20 0 EGADRP C[N@H+](CCN1CC[NH+](CC2=CCCCC2)CC1)Cc1ccccc1 ZINC000450393645 310119997 /nfs/dbraw/zinc/11/99/97/310119997.db2.gz OWWUFTLJHWHVPK-UHFFFAOYSA-N 2 0 327.516 3.236 20 0 EGADRP CCCc1ccc2[nH+]ccc(N[C@@H](C)CC[NH+]3CCN(C)CC3)c2c1 ZINC000450460533 310123968 /nfs/dbraw/zinc/12/39/68/310123968.db2.gz ORGBTYJLCOUWEA-KRWDZBQOSA-N 2 0 340.515 3.047 20 0 EGADRP c1coc(CN(CCN2CCOCC2)c2ccnc3ccsc32)c1 ZINC000450939999 310151079 /nfs/dbraw/zinc/15/10/79/310151079.db2.gz MFQQIIAVJJARNP-UHFFFAOYSA-N 2 0 343.452 3.228 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451697899 310192987 /nfs/dbraw/zinc/19/29/87/310192987.db2.gz IVADLDQVYMISFM-KPFFTGBYSA-N 2 0 325.456 3.164 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NCC[NH+]3CCCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453074406 310256238 /nfs/dbraw/zinc/25/62/38/310256238.db2.gz GHJMKKPMCFWYSI-PCCBWWKXSA-N 2 0 327.516 3.115 20 0 EGADRP CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCC1 ZINC000453092692 310257306 /nfs/dbraw/zinc/25/73/06/310257306.db2.gz NSCOCKUPYREBAD-LJQANCHMSA-N 2 0 331.504 3.036 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453107019 310258324 /nfs/dbraw/zinc/25/83/24/310258324.db2.gz HVUARXHATQKTCZ-HNAYVOBHSA-N 2 0 335.923 3.407 20 0 EGADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453126240 310259690 /nfs/dbraw/zinc/25/96/90/310259690.db2.gz OSIQVZNMRIYTKJ-SQEGATDGSA-N 2 0 330.516 3.426 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453159416 310261531 /nfs/dbraw/zinc/26/15/31/310261531.db2.gz LQDQXXNLXGSBBH-FCHUYYIVSA-N 2 0 342.527 3.292 20 0 EGADRP C[C@@H](c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453339492 310271929 /nfs/dbraw/zinc/27/19/29/310271929.db2.gz BVMQTQDWRPILPQ-FXAWDEMLSA-N 2 0 332.488 3.191 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1sc(C)cc1Br ZINC000453569771 310282139 /nfs/dbraw/zinc/28/21/39/310282139.db2.gz JQBXLOULGYQRAQ-GFCCVEGCSA-N 2 0 349.338 3.265 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cnc(C)cc2C)C1 ZINC000454488252 310312327 /nfs/dbraw/zinc/31/23/27/310312327.db2.gz PXMWWBHSJDWKCE-KRWDZBQOSA-N 2 0 346.519 3.398 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455851963 310379548 /nfs/dbraw/zinc/37/95/48/310379548.db2.gz LQWNCQFMULLYAR-IBGZPJMESA-N 2 0 346.519 3.431 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455855646 310379785 /nfs/dbraw/zinc/37/97/85/310379785.db2.gz NOBYQAIMNVMIEP-DNVCBOLYSA-N 2 0 344.503 3.184 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455860741 310379974 /nfs/dbraw/zinc/37/99/74/310379974.db2.gz QTJMVSYYIQKHKZ-GOSISDBHSA-N 2 0 332.492 3.041 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455894378 310381469 /nfs/dbraw/zinc/38/14/69/310381469.db2.gz CVOMICSPZHUWGZ-MDASCCDHSA-N 2 0 344.503 3.086 20 0 EGADRP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455898962 310381632 /nfs/dbraw/zinc/38/16/32/310381632.db2.gz FEPWJEAVZNIFEK-SFHVURJKSA-N 2 0 332.492 3.039 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@H]1C ZINC000455933969 310382710 /nfs/dbraw/zinc/38/27/10/310382710.db2.gz QSQMTRMFMDMWFU-VCBZYWHSSA-N 2 0 344.503 3.182 20 0 EGADRP OC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1F ZINC000459521134 310558193 /nfs/dbraw/zinc/55/81/93/310558193.db2.gz DBYVXKBIGSCROC-QGZVFWFLSA-N 2 0 349.837 3.166 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000487472182 311025256 /nfs/dbraw/zinc/02/52/56/311025256.db2.gz WAWGXJUAFIOYCV-UYAOXDASSA-N 2 0 343.515 3.274 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491214282 311168362 /nfs/dbraw/zinc/16/83/62/311168362.db2.gz VWDLZEFPKPUJPG-FCHUYYIVSA-N 2 0 342.527 3.423 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492213506 311226953 /nfs/dbraw/zinc/22/69/53/311226953.db2.gz BMPWYXPTJSXTEO-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497137264 311823386 /nfs/dbraw/zinc/82/33/86/311823386.db2.gz XPWOVAQWAWPWRQ-QGZVFWFLSA-N 2 0 347.503 3.142 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000501427365 311945345 /nfs/dbraw/zinc/94/53/45/311945345.db2.gz SKMJTFOBQHQIMX-UHFFFAOYSA-N 2 0 342.483 3.488 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC000502287453 311962196 /nfs/dbraw/zinc/96/21/96/311962196.db2.gz RLCVIHMPPGDULE-MRXNPFEDSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506474290 312049943 /nfs/dbraw/zinc/04/99/43/312049943.db2.gz MFNWMHHLHGEZOF-FYQPLNBISA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722198 312100837 /nfs/dbraw/zinc/10/08/37/312100837.db2.gz RLASPVPVOSFYOW-HLAWJBBLSA-N 2 0 329.532 3.361 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000510297169 312137674 /nfs/dbraw/zinc/13/76/74/312137674.db2.gz UMQXBOCPHXHBRV-SJORKVTESA-N 2 0 339.911 3.226 20 0 EGADRP COC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000512294670 312182197 /nfs/dbraw/zinc/18/21/97/312182197.db2.gz JPVOTLHVLXSXKQ-VAMGGRTRSA-N 2 0 328.500 3.446 20 0 EGADRP CC[NH+](CC)CCCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000514235564 312228796 /nfs/dbraw/zinc/22/87/96/312228796.db2.gz FIXWORUYCCDLPY-KXTWHKPSSA-N 2 0 331.548 3.465 20 0 EGADRP CSC1(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C)CC[NH+](C)CC1 ZINC000514819878 312247031 /nfs/dbraw/zinc/24/70/31/312247031.db2.gz DFRVQUJSHZEMSG-MRXNPFEDSA-N 2 0 349.544 3.129 20 0 EGADRP CCc1cccc2c(C3CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC3)c[nH]c21 ZINC000515178152 312269384 /nfs/dbraw/zinc/26/93/84/312269384.db2.gz HHCFOLZVMUCDQP-GOSISDBHSA-N 2 0 343.515 3.222 20 0 EGADRP CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000515188009 312270119 /nfs/dbraw/zinc/27/01/19/312270119.db2.gz JQBRHBNZYUDWEZ-KBPBESRZSA-N 2 0 343.393 3.335 20 0 EGADRP C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCc1cncn1C ZINC000515863274 312301288 /nfs/dbraw/zinc/30/12/88/312301288.db2.gz UHLQAFRLUXJFLM-KRWDZBQOSA-N 2 0 349.482 3.112 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)c1 ZINC000517366184 312376697 /nfs/dbraw/zinc/37/66/97/312376697.db2.gz WVHIKZCHSLQTLL-SFHVURJKSA-N 2 0 333.520 3.169 20 0 EGADRP c1cc2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2[nH]1 ZINC000529533391 313347347 /nfs/dbraw/zinc/34/73/47/313347347.db2.gz YIVVEJZIVWJXDP-UHFFFAOYSA-N 2 0 327.472 3.102 20 0 EGADRP Fc1ccc(/C=C\C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000530249607 313506181 /nfs/dbraw/zinc/50/61/81/313506181.db2.gz WQRCOQNKFHKPOM-QFRLHKFZSA-N 2 0 336.426 3.069 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](CC)CC ZINC000530831197 313591209 /nfs/dbraw/zinc/59/12/09/313591209.db2.gz WUWWAESPQMBBSR-DLBZAZTESA-N 2 0 339.911 3.179 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534972653 314009291 /nfs/dbraw/zinc/00/92/91/314009291.db2.gz XJLZYWKJZNKCMT-LJQANCHMSA-N 2 0 335.923 3.335 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)CN1CC[NH+](C)CC1 ZINC000534973137 314009505 /nfs/dbraw/zinc/00/95/05/314009505.db2.gz LHDMRZQJDXDQGV-KXBFYZLASA-N 2 0 335.923 3.191 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536499440 314118165 /nfs/dbraw/zinc/11/81/65/314118165.db2.gz ZDHGRSNACFNOCX-DNVCBOLYSA-N 2 0 335.923 3.333 20 0 EGADRP CC[C@@H](C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000536709314 314140580 /nfs/dbraw/zinc/14/05/80/314140580.db2.gz AQIXAZJUJQMGMM-FPOVZHCZSA-N 2 0 329.532 3.281 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000536849613 314149710 /nfs/dbraw/zinc/14/97/10/314149710.db2.gz CRFBPOVLBBBDHV-AVQSHMDHSA-N 2 0 346.490 3.417 20 0 EGADRP C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000539019474 314290731 /nfs/dbraw/zinc/29/07/31/314290731.db2.gz BWZGZWQUMKTAAT-MRXNPFEDSA-N 2 0 346.446 3.496 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000539558250 314320448 /nfs/dbraw/zinc/32/04/48/314320448.db2.gz LYYNAYMJXVLLPH-WBMJQRKESA-N 2 0 331.287 3.440 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000540139883 314364590 /nfs/dbraw/zinc/36/45/90/314364590.db2.gz GZXFGPRZMZOXNC-JENIJYKNSA-N 2 0 326.488 3.371 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000553781151 315282446 /nfs/dbraw/zinc/28/24/46/315282446.db2.gz ALOXJLBNLOFFPJ-GUDVDZBRSA-N 2 0 337.552 3.077 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000555232921 315374499 /nfs/dbraw/zinc/37/44/99/315374499.db2.gz PUQVHSGVFNXXBT-KNJMJIDISA-N 2 0 340.552 3.307 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563349819 316003590 /nfs/dbraw/zinc/00/35/90/316003590.db2.gz KCLCCODZHMCRSA-TZMCWYRMSA-N 2 0 338.377 3.203 20 0 EGADRP C[NH+](C)CCc1ccc(C[NH2+]CCC(=O)Nc2cccc(F)c2)cc1 ZINC000563617511 316046983 /nfs/dbraw/zinc/04/69/83/316046983.db2.gz BCBPUVFSIJVCKQ-UHFFFAOYSA-N 2 0 343.446 3.048 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000563811186 316073208 /nfs/dbraw/zinc/07/32/08/316073208.db2.gz UJIGJNXNHYMBJM-UHFFFAOYSA-N 2 0 348.372 3.341 20 0 EGADRP Cn1c2ccc(NC(=O)[C@H]3[NH2+]CCc4ccccc43)cc2nc1C1CC1 ZINC000563960458 316097356 /nfs/dbraw/zinc/09/73/56/316097356.db2.gz RZUQQOMGAALLJB-IBGZPJMESA-N 2 0 346.434 3.276 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000564872794 316223752 /nfs/dbraw/zinc/22/37/52/316223752.db2.gz HZILWXAWJFYHPB-SFHVURJKSA-N 2 0 342.483 3.172 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000565226001 316294642 /nfs/dbraw/zinc/29/46/42/316294642.db2.gz IMDKBQCEIWJNKS-YZGWKJHDSA-N 2 0 337.467 3.096 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000565313097 316308312 /nfs/dbraw/zinc/30/83/12/316308312.db2.gz ZQHOAFDNVZKTLA-SJLPKXTDSA-N 2 0 337.467 3.494 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000565420907 316321968 /nfs/dbraw/zinc/32/19/68/316321968.db2.gz PENRCYCCIPMWHQ-SZMVWBNQSA-N 2 0 331.504 3.140 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@H]3CCN([C@@H](C)c4ccccc4)C3)cc12 ZINC000565674105 316355162 /nfs/dbraw/zinc/35/51/62/316355162.db2.gz GOOBHSIRNCMYFD-LPHOPBHVSA-N 2 0 349.482 3.202 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000566230135 316439360 /nfs/dbraw/zinc/43/93/60/316439360.db2.gz KYABDZRCYAGXFG-CRAIPNDOSA-N 2 0 334.479 3.334 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000567795227 316675675 /nfs/dbraw/zinc/67/56/75/316675675.db2.gz DUCPTHCVGRVNJS-QGZVFWFLSA-N 2 0 331.504 3.067 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000568248519 316748889 /nfs/dbraw/zinc/74/88/89/316748889.db2.gz TYCLZTIIHSJMGI-BOLBYERCSA-N 2 0 332.488 3.171 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000569090928 316864411 /nfs/dbraw/zinc/86/44/11/316864411.db2.gz UGHHWZYBESVRFI-ICSRJNTNSA-N 2 0 343.446 3.092 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@]3(C)CCC[NH2+]3)c2)CC1 ZINC000569109963 316867916 /nfs/dbraw/zinc/86/79/16/316867916.db2.gz HDGUAFJDCOSMGA-FQEVSTJZSA-N 2 0 329.488 3.042 20 0 EGADRP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000569591492 316936798 /nfs/dbraw/zinc/93/67/98/316936798.db2.gz BZNKLORYOYUUPV-AZUAARDMSA-N 2 0 347.547 3.307 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000570088588 317005532 /nfs/dbraw/zinc/00/55/32/317005532.db2.gz JWTDDRGBXHXGJB-HOTGVXAUSA-N 2 0 339.911 3.083 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)Cc3ccc(F)cc3)CC2)C1 ZINC000570312372 317038368 /nfs/dbraw/zinc/03/83/68/317038368.db2.gz OZDVYYLVZTZENG-HBGVWJBISA-N 2 0 348.506 3.362 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000570714015 317097673 /nfs/dbraw/zinc/09/76/73/317097673.db2.gz FIFBMCIDQUFUEZ-AQNXPRMDSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000570895331 317122352 /nfs/dbraw/zinc/12/23/52/317122352.db2.gz QEMDQPROZBXOAV-XMSQKQJNSA-N 2 0 341.543 3.337 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000571770154 317245336 /nfs/dbraw/zinc/24/53/36/317245336.db2.gz MDWQFYWTNDCGCK-MDZRGWNJSA-N 2 0 326.488 3.488 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000571916191 317265609 /nfs/dbraw/zinc/26/56/09/317265609.db2.gz VKMMJPRBLPVHIG-UHOSZYNNSA-N 2 0 343.515 3.154 20 0 EGADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000572690106 317374814 /nfs/dbraw/zinc/37/48/14/317374814.db2.gz KYENLWIVXAYLBT-FUHWJXTLSA-N 2 0 330.520 3.443 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000573831219 317533465 /nfs/dbraw/zinc/53/34/65/317533465.db2.gz YBCTXSBKYQUCRW-ZJIFWQFVSA-N 2 0 349.906 3.343 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000172431617 323281562 /nfs/dbraw/zinc/28/15/62/323281562.db2.gz OLKRAFUCLDQNNV-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379664182 324240576 /nfs/dbraw/zinc/24/05/76/324240576.db2.gz OFNZUNZJVTWJOS-VAMGGRTRSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386483755 324267527 /nfs/dbraw/zinc/26/75/27/324267527.db2.gz IUAOAMYNMGXKGU-YYWHXJBOSA-N 2 0 336.479 3.490 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000576389807 324605023 /nfs/dbraw/zinc/60/50/23/324605023.db2.gz DLTHCVNWWYNHJL-NRFANRHFSA-N 2 0 348.531 3.328 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000576940736 324711399 /nfs/dbraw/zinc/71/13/99/324711399.db2.gz YEPZNYUBEKQIET-CMKODMSKSA-N 2 0 345.531 3.258 20 0 EGADRP CC[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000316765105 456614562 /nfs/dbraw/zinc/61/45/62/456614562.db2.gz DBTGYOGWONWBIA-SMDDNHRTSA-N 2 0 344.286 3.381 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc2cccnc12 ZINC000579087878 325060386 /nfs/dbraw/zinc/06/03/86/325060386.db2.gz DGWVPJXIMNDFRN-WOJBJXKFSA-N 2 0 339.483 3.262 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000579099902 325062384 /nfs/dbraw/zinc/06/23/84/325062384.db2.gz JXNVMIGCXNBYSY-XHSDSOJGSA-N 2 0 337.895 3.177 20 0 EGADRP CCc1cccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000579841795 325166756 /nfs/dbraw/zinc/16/67/56/325166756.db2.gz OXWFZRWBUOOUBN-JOCHJYFZSA-N 2 0 337.511 3.327 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000580056690 325196512 /nfs/dbraw/zinc/19/65/12/325196512.db2.gz BLPNEPRUOLYGHE-OAHLLOKOSA-N 2 0 334.504 3.265 20 0 EGADRP Cn1cc(-c2ccc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)s2)cn1 ZINC000580713874 325287529 /nfs/dbraw/zinc/28/75/29/325287529.db2.gz MYUVCNMMQUDQOS-IAGOWNOFSA-N 2 0 330.501 3.255 20 0 EGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000580784404 325295704 /nfs/dbraw/zinc/29/57/04/325295704.db2.gz VEPIYHAOCPEHDY-KSYCFECVSA-N 2 0 341.293 3.385 20 0 EGADRP CC(C)[NH+](CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000581009546 325320843 /nfs/dbraw/zinc/32/08/43/325320843.db2.gz DJZWCPAZIVLGFZ-GOSISDBHSA-N 2 0 333.520 3.338 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000581059533 325325496 /nfs/dbraw/zinc/32/54/96/325325496.db2.gz DJCXWSVMTRRBPG-QLFBSQMISA-N 2 0 343.393 3.033 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000581062532 325326080 /nfs/dbraw/zinc/32/60/80/325326080.db2.gz HJXJBZRQBIPLAH-TYCQWZJGSA-N 2 0 348.506 3.362 20 0 EGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000581543347 325370231 /nfs/dbraw/zinc/37/02/31/325370231.db2.gz CMENEVHSFUUQEJ-VQTJNVASSA-N 2 0 348.531 3.001 20 0 EGADRP CC(C)C[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000581546937 325370807 /nfs/dbraw/zinc/37/08/07/325370807.db2.gz OVROSZMUCKOXTG-YWTNHNAXSA-N 2 0 348.535 3.177 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000582966887 325484531 /nfs/dbraw/zinc/48/45/31/325484531.db2.gz UKCGDEAFKFSFBG-XLIONFOSSA-N 2 0 345.531 3.258 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157797737 455232667 /nfs/dbraw/zinc/23/26/67/455232667.db2.gz NDSRSEUAHLMYCC-BPAFIMBUSA-N 2 0 332.488 3.235 20 0 EGADRP CCOc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442920379 459061901 /nfs/dbraw/zinc/06/19/01/459061901.db2.gz LCOKQTZZUBRNIM-ZDUSSCGKSA-N 2 0 326.868 3.308 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000183225927 455255007 /nfs/dbraw/zinc/25/50/07/455255007.db2.gz URLSOGZTTCPJAD-QLIIJSOBSA-N 2 0 344.499 3.235 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC000181628036 455365266 /nfs/dbraw/zinc/36/52/66/455365266.db2.gz IQQFQUWWWSWLOM-FUHWJXTLSA-N 2 0 349.494 3.187 20 0 EGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1Cl ZINC000075836588 453930053 /nfs/dbraw/zinc/93/00/53/453930053.db2.gz IPXTXVRDVCTMLD-MRXNPFEDSA-N 2 0 349.906 3.476 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000075939536 453940161 /nfs/dbraw/zinc/94/01/61/453940161.db2.gz VNJZPBLVISIZGG-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000076042088 453953367 /nfs/dbraw/zinc/95/33/67/453953367.db2.gz GSLWRJHISSHUPG-FUHWJXTLSA-N 2 0 333.520 3.162 20 0 EGADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1Br ZINC000042427851 454010328 /nfs/dbraw/zinc/01/03/28/454010328.db2.gz APFIYPZWPYGVPK-UHFFFAOYSA-N 2 0 327.266 3.019 20 0 EGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000056522289 454064523 /nfs/dbraw/zinc/06/45/23/454064523.db2.gz XRRHCKDIAUQPPC-KRWDZBQOSA-N 2 0 344.421 3.403 20 0 EGADRP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523757 454064646 /nfs/dbraw/zinc/06/46/46/454064646.db2.gz HNUZPZOZTHPHHY-HNNXBMFYSA-N 2 0 328.460 3.461 20 0 EGADRP CN(CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000089427471 454147665 /nfs/dbraw/zinc/14/76/65/454147665.db2.gz IYZBYOARULVHHZ-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843985 454151218 /nfs/dbraw/zinc/15/12/18/454151218.db2.gz WBQVIAUWKSRMMU-KRWDZBQOSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000057893733 454155557 /nfs/dbraw/zinc/15/55/57/454155557.db2.gz JZSOSRRAIDJIBF-PMACEKPBSA-N 2 0 339.483 3.099 20 0 EGADRP CCCN(CCC)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889055 454155682 /nfs/dbraw/zinc/15/56/82/454155682.db2.gz UDRZCKWBHSXIRB-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132119559 454314653 /nfs/dbraw/zinc/31/46/53/454314653.db2.gz HKUIMIKBIJFODI-NQIIRXRSSA-N 2 0 338.499 3.384 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000090524648 454316475 /nfs/dbraw/zinc/31/64/75/454316475.db2.gz CCCTUIOZPKIHPF-DZOFKHCGSA-N 2 0 332.532 3.169 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1Cl)N1CC[NH+](C)CC1 ZINC000132378470 454334219 /nfs/dbraw/zinc/33/42/19/454334219.db2.gz AGUNOKXJPDYVFY-RDTXWAMCSA-N 2 0 341.902 3.402 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)ccn1 ZINC000090936893 454351231 /nfs/dbraw/zinc/35/12/31/454351231.db2.gz DEOTUYKNRGNFPP-FQEVSTJZSA-N 2 0 339.483 3.133 20 0 EGADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2c(c1)CCO2 ZINC000132875939 454373319 /nfs/dbraw/zinc/37/33/19/454373319.db2.gz XDLKWZPSHOSDDE-OXJNMPFZSA-N 2 0 344.499 3.163 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000120984925 454373787 /nfs/dbraw/zinc/37/37/87/454373787.db2.gz MCNKHCGYVXYWQM-LSDHHAIUSA-N 2 0 343.437 3.240 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cn1 ZINC000133058037 454388528 /nfs/dbraw/zinc/38/85/28/454388528.db2.gz QSIVKBYUNJVWSS-UHFFFAOYSA-N 2 0 338.499 3.210 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000121374321 454427032 /nfs/dbraw/zinc/42/70/32/454427032.db2.gz QOFZBTWHOSSUIH-DENIHFKCSA-N 2 0 343.559 3.179 20 0 EGADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1F ZINC000121845704 454484987 /nfs/dbraw/zinc/48/49/87/454484987.db2.gz ADURGIYCKXJDCZ-UHOSZYNNSA-N 2 0 332.463 3.325 20 0 EGADRP C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)Cn1ccnc1 ZINC000080197736 454548978 /nfs/dbraw/zinc/54/89/78/454548978.db2.gz JWWCSMSWEQVTAY-SFHVURJKSA-N 2 0 328.504 3.267 20 0 EGADRP Cc1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1-c1ccccc1 ZINC000092381140 454559067 /nfs/dbraw/zinc/55/90/67/454559067.db2.gz YQTNXUNZBAACDL-UHFFFAOYSA-N 2 0 326.488 3.344 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191171466 455457459 /nfs/dbraw/zinc/45/74/59/455457459.db2.gz ZSYBSLYQXLENHY-KRWDZBQOSA-N 2 0 349.567 3.015 20 0 EGADRP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134937128 454613297 /nfs/dbraw/zinc/61/32/97/454613297.db2.gz LJPLLMZCDFDARJ-YLJYHZDGSA-N 2 0 328.456 3.061 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820936 454640206 /nfs/dbraw/zinc/64/02/06/454640206.db2.gz OJDRYPNTPWDRBA-UHFFFAOYSA-N 2 0 341.503 3.215 20 0 EGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCN1CCCCC1 ZINC000092821268 454640449 /nfs/dbraw/zinc/64/04/49/454640449.db2.gz AHPYHQZJPJUBQP-UHFFFAOYSA-N 2 0 330.520 3.106 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000105476980 454640561 /nfs/dbraw/zinc/64/05/61/454640561.db2.gz OZYJFXVHCAGZJR-UHFFFAOYSA-N 2 0 330.303 3.111 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCc1cccc(C[NH+](C)C)c1)C(C)C ZINC000074853333 454647047 /nfs/dbraw/zinc/64/70/47/454647047.db2.gz RFKJMBXEGIEWOS-UHFFFAOYSA-N 2 0 348.535 3.056 20 0 EGADRP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000123566161 454653106 /nfs/dbraw/zinc/65/31/06/454653106.db2.gz PVKQQLHGUPUCJX-SFHVURJKSA-N 2 0 327.472 3.452 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000635003906 460646583 /nfs/dbraw/zinc/64/65/83/460646583.db2.gz CGHSZUYGQZAKMA-XNRPHZJLSA-N 2 0 347.894 3.397 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000075007533 454673676 /nfs/dbraw/zinc/67/36/76/454673676.db2.gz JWUDYSJKQYRPJG-UHFFFAOYSA-N 2 0 333.520 3.075 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161671360 454712426 /nfs/dbraw/zinc/71/24/26/454712426.db2.gz VFTHKHKFHNYOOY-XJKSGUPXSA-N 2 0 327.875 3.156 20 0 EGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)cc1 ZINC000136178822 454726677 /nfs/dbraw/zinc/72/66/77/454726677.db2.gz PUVZXLMROQWZKR-GOSISDBHSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136323459 454735634 /nfs/dbraw/zinc/73/56/34/454735634.db2.gz BKDOSNVGOQGTDN-WAOWUJCRSA-N 3 0 340.515 3.328 20 0 EGADRP C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000161947788 454738974 /nfs/dbraw/zinc/73/89/74/454738974.db2.gz ATPNGKRSWNQNQJ-QZHFEQFPSA-N 2 0 332.488 3.091 20 0 EGADRP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000124634736 454754789 /nfs/dbraw/zinc/75/47/89/454754789.db2.gz DJPDKVUHEZDTQQ-QKLQHJQFSA-N 2 0 334.504 3.056 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000124635773 454755225 /nfs/dbraw/zinc/75/52/25/454755225.db2.gz CVSFRTHAERDYLZ-OVQGTLEDSA-N 2 0 346.515 3.201 20 0 EGADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc(OC(F)F)c1 ZINC000635010364 460653978 /nfs/dbraw/zinc/65/39/78/460653978.db2.gz SLJJONIXSXBXTF-CYBMUJFWSA-N 2 0 348.397 3.266 20 0 EGADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc(OC(F)F)c1 ZINC000635010365 460654529 /nfs/dbraw/zinc/65/45/29/460654529.db2.gz SLJJONIXSXBXTF-ZDUSSCGKSA-N 2 0 348.397 3.266 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000125336461 454815269 /nfs/dbraw/zinc/81/52/69/454815269.db2.gz CHCXLJGPHYYAAT-KRWDZBQOSA-N 2 0 333.520 3.010 20 0 EGADRP CC(C)N(C)c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000191386634 455481794 /nfs/dbraw/zinc/48/17/94/455481794.db2.gz CCLJTAAGZGGTAH-IBGZPJMESA-N 2 0 330.520 3.377 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cnn(C)c1 ZINC000164505732 454882994 /nfs/dbraw/zinc/88/29/94/454882994.db2.gz QVMQRHNROPDTQJ-INIZCTEOSA-N 2 0 338.455 3.496 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000165199174 454895674 /nfs/dbraw/zinc/89/56/74/454895674.db2.gz PKNICJSMYRUREI-GOSISDBHSA-N 2 0 334.504 3.453 20 0 EGADRP Cc1cc2oc(=O)cc(CN3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000150841682 454900491 /nfs/dbraw/zinc/90/04/91/454900491.db2.gz FGVZOVAPCDTHNP-KRWDZBQOSA-N 2 0 340.467 3.328 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000126635274 454907442 /nfs/dbraw/zinc/90/74/42/454907442.db2.gz AHWLEFBLCTYBLK-LSDHHAIUSA-N 2 0 328.378 3.344 20 0 EGADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)nc1 ZINC000126644865 454907776 /nfs/dbraw/zinc/90/77/76/454907776.db2.gz RGXCMFOANGDOTG-UYAOXDASSA-N 2 0 337.467 3.377 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1F ZINC000150962638 454918827 /nfs/dbraw/zinc/91/88/27/454918827.db2.gz PXTGIOQREQBZMR-GOSISDBHSA-N 2 0 325.447 3.032 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000150985788 454922464 /nfs/dbraw/zinc/92/24/64/454922464.db2.gz RPGSZGATTCCFCC-DLBZAZTESA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000150997348 454923979 /nfs/dbraw/zinc/92/39/79/454923979.db2.gz NXBJQVUTFGFJCN-GOSISDBHSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000154988540 454951273 /nfs/dbraw/zinc/95/12/73/454951273.db2.gz XKNUFWKBFWNJHW-CJNGLKHVSA-N 2 0 339.936 3.102 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000155060773 454958800 /nfs/dbraw/zinc/95/88/00/454958800.db2.gz KGODOHXWDQUZNY-AQNXPRMDSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000127581551 454979693 /nfs/dbraw/zinc/97/96/93/454979693.db2.gz RFBHQEDRUXEARR-CHWSQXEVSA-N 2 0 330.303 3.280 20 0 EGADRP FC(F)(F)c1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178954829 454993464 /nfs/dbraw/zinc/99/34/64/454993464.db2.gz LFPCPGLUSRQGMD-LSDHHAIUSA-N 2 0 328.378 3.301 20 0 EGADRP O[C@@H](C[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1cccs1 ZINC000178976628 454995084 /nfs/dbraw/zinc/99/50/84/454995084.db2.gz HVFGEZNBGPTNDF-SFHVURJKSA-N 2 0 330.497 3.283 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000155709712 455035229 /nfs/dbraw/zinc/03/52/29/455035229.db2.gz CUDTXTHXPPVMTB-AZUAARDMSA-N 2 0 345.531 3.133 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151856201 455039624 /nfs/dbraw/zinc/03/96/24/455039624.db2.gz YZAGSEKHAGRYGB-ZWKOTPCHSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000152021754 455063419 /nfs/dbraw/zinc/06/34/19/455063419.db2.gz RJUUFJHQCKMOOR-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC000118782827 455111872 /nfs/dbraw/zinc/11/18/72/455111872.db2.gz AAGXFHZPSBJIIK-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156450927 455119605 /nfs/dbraw/zinc/11/96/05/455119605.db2.gz WWELZWGRSFOXON-IGCXYCKISA-N 2 0 348.397 3.071 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000119040656 455121470 /nfs/dbraw/zinc/12/14/70/455121470.db2.gz ZJHNLIWLACXTGX-PWIZWCRZSA-N 2 0 333.520 3.008 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180110963 455133859 /nfs/dbraw/zinc/13/38/59/455133859.db2.gz ALQNCKGPRGIFJG-WIYYLYMNSA-N 2 0 329.532 3.236 20 0 EGADRP CC(C)n1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000180181615 455145787 /nfs/dbraw/zinc/14/57/87/455145787.db2.gz MPAAZYOZXSOQJQ-HDICACEKSA-N 2 0 348.535 3.175 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156735689 455147271 /nfs/dbraw/zinc/14/72/71/455147271.db2.gz DTYSWQHKNVLCHL-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156873815 455154458 /nfs/dbraw/zinc/15/44/58/455154458.db2.gz YITNKIOWUZAOLT-HNAYVOBHSA-N 2 0 348.512 3.247 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182834263 455174371 /nfs/dbraw/zinc/17/43/71/455174371.db2.gz XKQRNLQZKLDKNL-HXUWFJFHSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237472643 455188055 /nfs/dbraw/zinc/18/80/55/455188055.db2.gz RARVIZCHMQHGHH-MBOZVWFJSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000237527409 455192589 /nfs/dbraw/zinc/19/25/89/455192589.db2.gz JYRJVBIANFRTNV-AWEZNQCLSA-N 2 0 327.428 3.365 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000157496029 455200319 /nfs/dbraw/zinc/20/03/19/455200319.db2.gz ABFRLDXVFIOYOZ-MJGOQNOKSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000237705623 455209816 /nfs/dbraw/zinc/20/98/16/455209816.db2.gz RLXNORHYRINNQA-MJGOQNOKSA-N 2 0 331.504 3.095 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(F)ccc1F ZINC000180642250 455215941 /nfs/dbraw/zinc/21/59/41/455215941.db2.gz MIEKCFLHVHMIGC-KDOFPFPSSA-N 2 0 346.421 3.382 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000180642383 455216091 /nfs/dbraw/zinc/21/60/91/455216091.db2.gz CLBBOOIBBSFUEM-YWZLYKJASA-N 2 0 328.431 3.243 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)Cc3ccccc3)CC2)C1 ZINC000158191941 455278161 /nfs/dbraw/zinc/27/81/61/455278161.db2.gz WFTXAZNICODSCC-DUXKGJEZSA-N 2 0 330.516 3.223 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000265317979 455304062 /nfs/dbraw/zinc/30/40/62/455304062.db2.gz QCEWJEZCKAYLJB-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158688080 455322513 /nfs/dbraw/zinc/32/25/13/455322513.db2.gz VBMUHAPVMUYNML-KSZLIROESA-N 2 0 341.503 3.286 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246291568 455465112 /nfs/dbraw/zinc/46/51/12/455465112.db2.gz NIKMAINPTNYCLT-ZHALLVOQSA-N 2 0 345.531 3.339 20 0 EGADRP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266917008 455474367 /nfs/dbraw/zinc/47/43/67/455474367.db2.gz KUUNKAAADFAYGJ-MSOLQXFVSA-N 2 0 340.471 3.199 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246823490 455527408 /nfs/dbraw/zinc/52/74/08/455527408.db2.gz CJFRHPCFZKCOCY-IKGGRYGDSA-N 2 0 339.524 3.001 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000247076716 455555694 /nfs/dbraw/zinc/55/56/94/455555694.db2.gz NIWIRZWFTUENFH-YJBOKZPZSA-N 2 0 326.488 3.121 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000247115772 455561498 /nfs/dbraw/zinc/56/14/98/455561498.db2.gz UEJZBCGKEPCMJF-DBXWQHBBSA-N 2 0 329.532 3.488 20 0 EGADRP CCOC[C@@H]1CCC[NH+](C[C@@H](C)C[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000247215594 455574694 /nfs/dbraw/zinc/57/46/94/455574694.db2.gz WEHUEJXMPYNUOE-OWZKRDHZSA-N 2 0 340.552 3.120 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182721312 455575412 /nfs/dbraw/zinc/57/54/12/455575412.db2.gz YTDVSVYUNJUCIU-RTBURBONSA-N 2 0 347.522 3.249 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@@H](C)C1 ZINC000247230685 455576346 /nfs/dbraw/zinc/57/63/46/455576346.db2.gz YGMMOKWMEAUPJP-YJBOKZPZSA-N 2 0 332.492 3.036 20 0 EGADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182785275 455586233 /nfs/dbraw/zinc/58/62/33/455586233.db2.gz NSDDVOUXJBUAEP-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP COc1cccc(OCC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185672743 455593772 /nfs/dbraw/zinc/59/37/72/455593772.db2.gz GBHUPBKMGYZXQP-SJORKVTESA-N 2 0 332.488 3.317 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)[C@H](C)C1 ZINC000283939878 455614228 /nfs/dbraw/zinc/61/42/28/455614228.db2.gz FJCFFDZMFRUWLT-UXPWSPDFSA-N 2 0 346.515 3.496 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000185876745 455640180 /nfs/dbraw/zinc/64/01/80/455640180.db2.gz VFKYCCHDNVWZKM-HNNXBMFYSA-N 2 0 346.906 3.004 20 0 EGADRP CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284161520 455644317 /nfs/dbraw/zinc/64/43/17/455644317.db2.gz DZYQALGGXIVIBR-QZTJIDSGSA-N 2 0 333.520 3.152 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2OC)[NH+]2CCCC2)[C@H](C)C1 ZINC000247888407 455651781 /nfs/dbraw/zinc/65/17/81/455651781.db2.gz DPYPVYHFPYZKQV-YZGWKJHDSA-N 2 0 345.531 3.152 20 0 EGADRP O[C@@H]([C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1)C(F)(F)F ZINC000277812184 455673360 /nfs/dbraw/zinc/67/33/60/455673360.db2.gz QGLGYFIMBXVBBL-HOCLYGCPSA-N 2 0 339.361 3.008 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248186261 455697026 /nfs/dbraw/zinc/69/70/26/455697026.db2.gz XKXWQTVLLSJZRN-ZBFHGGJFSA-N 2 0 340.895 3.236 20 0 EGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635137853 460686766 /nfs/dbraw/zinc/68/67/66/460686766.db2.gz DDOOHXCEHVWUTI-IAGOWNOFSA-N 2 0 347.528 3.018 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284550651 455705011 /nfs/dbraw/zinc/70/50/11/455705011.db2.gz XWIVRRYZSPXHKR-JOCHJYFZSA-N 2 0 343.559 3.323 20 0 EGADRP CN(Cc1cc(O)cc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000186199992 455715300 /nfs/dbraw/zinc/71/53/00/455715300.db2.gz NQHYYKKVNQBUDG-UHFFFAOYSA-N 2 0 343.446 3.065 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000248698524 455726342 /nfs/dbraw/zinc/72/63/42/455726342.db2.gz LYJMBJNPKUIANW-HACGYAERSA-N 2 0 347.894 3.047 20 0 EGADRP C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292744330 455745546 /nfs/dbraw/zinc/74/55/46/455745546.db2.gz QUKJJWLQQRMPGY-QAPCUYQASA-N 2 0 348.441 3.148 20 0 EGADRP CC(C)=CCC[C@@H](C)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000193242290 455748853 /nfs/dbraw/zinc/74/88/53/455748853.db2.gz XHGNUZRPMPZFQH-GOSISDBHSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H]1C[C@H](NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000268983912 455753319 /nfs/dbraw/zinc/75/33/19/455753319.db2.gz PRZANEUUQHZIKS-MISYRCLQSA-N 2 0 347.572 3.066 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000268995302 455757555 /nfs/dbraw/zinc/75/75/55/455757555.db2.gz XMSQVGMNBBNYQQ-VQTJNVASSA-N 2 0 327.472 3.025 20 0 EGADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269014192 455763120 /nfs/dbraw/zinc/76/31/20/455763120.db2.gz YCPHFEGFLKDMCC-ROUUACIJSA-N 2 0 336.520 3.322 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000269029170 455767509 /nfs/dbraw/zinc/76/75/09/455767509.db2.gz RLXXZFSBMQWZSQ-UTKZUKDTSA-N 2 0 327.516 3.113 20 0 EGADRP CCOC1CC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000271832302 455779631 /nfs/dbraw/zinc/77/96/31/455779631.db2.gz QZYANKIFLVPESB-UHFFFAOYSA-N 2 0 346.515 3.215 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CSCCS2)CC[N@@H+]1Cc1ccccc1 ZINC000269066128 455780110 /nfs/dbraw/zinc/78/01/10/455780110.db2.gz LLECIFZBPUSVJC-KBAYOESNSA-N 2 0 336.570 3.478 20 0 EGADRP Cc1nccn1CCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000269138706 455796884 /nfs/dbraw/zinc/79/68/84/455796884.db2.gz XSWGDNHPBWYUBI-UHFFFAOYSA-N 2 0 344.434 3.071 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186576741 455797343 /nfs/dbraw/zinc/79/73/43/455797343.db2.gz JJZLVSYJGSIYRV-DOTOQJQBSA-N 2 0 329.488 3.418 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000269143380 455798009 /nfs/dbraw/zinc/79/80/09/455798009.db2.gz DBVWNDMXGBRDHF-INIZCTEOSA-N 2 0 331.504 3.118 20 0 EGADRP CCC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000186585295 455799340 /nfs/dbraw/zinc/79/93/40/455799340.db2.gz JCWHOXULCTUYPL-PXNSSMCTSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)N1CC[NH+](C)CC1 ZINC000186586403 455800130 /nfs/dbraw/zinc/80/01/30/455800130.db2.gz ODJKRZKAMLZJSV-OFLPRAFFSA-N 2 0 349.485 3.217 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000186877969 455846525 /nfs/dbraw/zinc/84/65/25/455846525.db2.gz PPVCHKPGAGCIEZ-NJYVYQBISA-N 2 0 327.516 3.113 20 0 EGADRP Fc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285448586 455847560 /nfs/dbraw/zinc/84/75/60/455847560.db2.gz GEGMDWJTFGKVAU-FQEVSTJZSA-N 2 0 325.431 3.319 20 0 EGADRP C[C@@H](Cn1ccnc1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285482218 455855224 /nfs/dbraw/zinc/85/52/24/455855224.db2.gz BOXNFKUUBCHVJY-KKXNLOMOSA-N 2 0 326.488 3.304 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000272177191 455867197 /nfs/dbraw/zinc/86/71/97/455867197.db2.gz JLRNKUMZNULMCT-QFBILLFUSA-N 2 0 340.467 3.401 20 0 EGADRP Cc1ccc2ncc(C[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)n2c1 ZINC000270195484 455899333 /nfs/dbraw/zinc/89/93/33/455899333.db2.gz YGUQFLNNKFZQTK-PSLXWICFSA-N 2 0 327.453 3.231 20 0 EGADRP CCOC1CC(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000285739083 455906817 /nfs/dbraw/zinc/90/68/17/455906817.db2.gz UYMVDYFQWLGUIY-UHFFFAOYSA-N 2 0 331.504 3.435 20 0 EGADRP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261600404 455910034 /nfs/dbraw/zinc/91/00/34/455910034.db2.gz ADPDMPDZPUYQDQ-MSOLQXFVSA-N 2 0 332.451 3.113 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000272324518 455913798 /nfs/dbraw/zinc/91/37/98/455913798.db2.gz UYSYAEIVAQFECK-MISYRCLQSA-N 2 0 345.531 3.134 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000270305555 455924016 /nfs/dbraw/zinc/92/40/16/455924016.db2.gz CSHSPGPERAHWBC-GOSISDBHSA-N 2 0 345.531 3.315 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(N)s1 ZINC000261697598 455930446 /nfs/dbraw/zinc/93/04/46/455930446.db2.gz IBUGBVJCZCBQCH-AWEZNQCLSA-N 2 0 330.501 3.390 20 0 EGADRP C[C@@]1(C[NH3+])CCN(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000261757199 455942730 /nfs/dbraw/zinc/94/27/30/455942730.db2.gz QPXBDVPKAMKHGO-RTWAWAEBSA-N 2 0 343.515 3.095 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187750497 455947263 /nfs/dbraw/zinc/94/72/63/455947263.db2.gz SQNLOAKZNGZMCG-RTWAWAEBSA-N 2 0 329.532 3.112 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187750517 455948066 /nfs/dbraw/zinc/94/80/66/455948066.db2.gz SQNLOAKZNGZMCG-NHCUHLMSSA-N 2 0 329.532 3.112 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000261803557 455950949 /nfs/dbraw/zinc/95/09/49/455950949.db2.gz RCWQPYUMEXDGSO-VQTJNVASSA-N 2 0 343.515 3.196 20 0 EGADRP Clc1ccc(O[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000261914730 455970776 /nfs/dbraw/zinc/97/07/76/455970776.db2.gz JTNBOHYETIZIHL-OCCSQVGLSA-N 2 0 329.271 3.446 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187962188 455973381 /nfs/dbraw/zinc/97/33/81/455973381.db2.gz SXMSZNUPSMPGGJ-YADHBBJMSA-N 2 0 343.559 3.360 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272533037 455985150 /nfs/dbraw/zinc/98/51/50/455985150.db2.gz JONNWXJIVGKTCS-INIZCTEOSA-N 2 0 331.504 3.288 20 0 EGADRP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)c1 ZINC000262086706 455993919 /nfs/dbraw/zinc/99/39/19/455993919.db2.gz GBGAXGMQNFCOLL-QGZVFWFLSA-N 2 0 345.487 3.034 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000262092368 455995885 /nfs/dbraw/zinc/99/58/85/455995885.db2.gz HGYPLMCTBJUOQF-LJQANCHMSA-N 2 0 346.515 3.314 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566250 455996805 /nfs/dbraw/zinc/99/68/05/455996805.db2.gz UUXXGLQKPYNSDL-RXVVDRJESA-N 2 0 340.515 3.472 20 0 EGADRP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262142007 456003606 /nfs/dbraw/zinc/00/36/06/456003606.db2.gz PXCDGBBFCMZJOV-KRWDZBQOSA-N 2 0 345.487 3.034 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CCC2)c1 ZINC000262173140 456007893 /nfs/dbraw/zinc/00/78/93/456007893.db2.gz VLNFATSTGCAWQB-FUHWJXTLSA-N 2 0 332.488 3.051 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262179753 456008479 /nfs/dbraw/zinc/00/84/79/456008479.db2.gz WLOMAUGRQUMSEO-NWDGAFQWSA-N 2 0 345.256 3.026 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272608428 456013014 /nfs/dbraw/zinc/01/30/14/456013014.db2.gz ZLHKQYDFGXRHLC-YJBOKZPZSA-N 2 0 329.513 3.494 20 0 EGADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000262449840 456036943 /nfs/dbraw/zinc/03/69/43/456036943.db2.gz HSFPDOUXNXQPSX-NEPJUHHUSA-N 2 0 344.286 3.239 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000188512643 456076140 /nfs/dbraw/zinc/07/61/40/456076140.db2.gz PPONFHQFJVXHNI-UHFFFAOYSA-N 2 0 335.458 3.113 20 0 EGADRP CC(=O)c1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000297012409 456092385 /nfs/dbraw/zinc/09/23/85/456092385.db2.gz GKVCIAJAHOGGEE-IRXDYDNUSA-N 2 0 344.499 3.210 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263293584 456120226 /nfs/dbraw/zinc/12/02/26/456120226.db2.gz VZYQLOORZUNHIY-QUCCMNQESA-N 2 0 331.504 3.052 20 0 EGADRP COCCOCc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000289854551 456156924 /nfs/dbraw/zinc/15/69/24/456156924.db2.gz VNPYYBAKFJADKJ-GOSISDBHSA-N 2 0 334.504 3.204 20 0 EGADRP c1cc2c(cccc2C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000236705788 456171256 /nfs/dbraw/zinc/17/12/56/456171256.db2.gz DTSMQPQVRXFUNC-UHFFFAOYSA-N 2 0 348.494 3.075 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236778688 456181465 /nfs/dbraw/zinc/18/14/65/456181465.db2.gz HFXBCCQTNNXMKB-LJQANCHMSA-N 2 0 331.504 3.052 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000289949670 456193382 /nfs/dbraw/zinc/19/33/82/456193382.db2.gz MCFIDQVKJPJVHN-UXPWSPDFSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC(C)(C)C ZINC000263718944 456201469 /nfs/dbraw/zinc/20/14/69/456201469.db2.gz AXYQOINDKGCWJO-KRWDZBQOSA-N 2 0 345.531 3.134 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189033431 456204580 /nfs/dbraw/zinc/20/45/80/456204580.db2.gz GTTRRYXTNYNRRT-CTNGQTDRSA-N 2 0 329.532 3.013 20 0 EGADRP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000273186291 456206170 /nfs/dbraw/zinc/20/61/70/456206170.db2.gz GAGGMJFQFQFBNX-CWJKEVGVSA-N 2 0 330.516 3.428 20 0 EGADRP C[NH+](C)Cc1ccc(CNc2cc(NCC3CC3)ncn2)cc1F ZINC000301900392 456245597 /nfs/dbraw/zinc/24/55/97/456245597.db2.gz ZARBZYVMRZXHCD-UHFFFAOYSA-N 2 0 329.423 3.111 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333787169 456263197 /nfs/dbraw/zinc/26/31/97/456263197.db2.gz FOACYHHOBDXKIJ-NDFXWATISA-N 2 0 331.548 3.040 20 0 EGADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000290233467 456272229 /nfs/dbraw/zinc/27/22/29/456272229.db2.gz RXRQDFIPSKNGOA-CMKODMSKSA-N 2 0 326.484 3.297 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000302057784 456277153 /nfs/dbraw/zinc/27/71/53/456277153.db2.gz AJINYZJVBPQLHD-NVXWUHKLSA-N 2 0 339.524 3.237 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000302062429 456277673 /nfs/dbraw/zinc/27/76/73/456277673.db2.gz VXELNRGQOYBILH-NRKLIOEPSA-N 2 0 339.524 3.093 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275657550 456279245 /nfs/dbraw/zinc/27/92/45/456279245.db2.gz FPTFQMLYIXZONM-HMXCVIKNSA-N 2 0 329.532 3.112 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000275670661 456282593 /nfs/dbraw/zinc/28/25/93/456282593.db2.gz CLEOQOSUVFVTGS-IBGZPJMESA-N 2 0 341.503 3.039 20 0 EGADRP CCOC(=O)[C@@H](CC)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342867469 456283647 /nfs/dbraw/zinc/28/36/47/456283647.db2.gz BUYUDSGLGJLLMH-LJQANCHMSA-N 2 0 344.499 3.316 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000290304328 456284809 /nfs/dbraw/zinc/28/48/09/456284809.db2.gz BOPFQRXOTZVCDF-LJQANCHMSA-N 2 0 330.520 3.090 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[NH+](CC2CCC2)CC1 ZINC000347660781 456288475 /nfs/dbraw/zinc/28/84/75/456288475.db2.gz YGNXQUDTBCFKIY-HXUWFJFHSA-N 2 0 347.547 3.118 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCCC34CCCC4)ccn2)CC1 ZINC000340189589 456301905 /nfs/dbraw/zinc/30/19/05/456301905.db2.gz YBYNZCVQLIWFTA-IBGZPJMESA-N 2 0 342.531 3.426 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@]1(C)CCCO1 ZINC000340200488 456309600 /nfs/dbraw/zinc/30/96/00/456309600.db2.gz WAPBQPDTDOFFFM-BMQTXXJKSA-N 2 0 346.515 3.343 20 0 EGADRP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336794076 456310774 /nfs/dbraw/zinc/31/07/74/456310774.db2.gz ZOBUPBPIJXZNIY-IBGZPJMESA-N 2 0 334.467 3.254 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000352800807 456320359 /nfs/dbraw/zinc/32/03/59/456320359.db2.gz PZGOZUTWMVMLSV-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP NC(=O)c1c[nH+]ccc1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000302224931 456322145 /nfs/dbraw/zinc/32/21/45/456322145.db2.gz OFZGEHCAPBHRSU-UHFFFAOYSA-N 2 0 338.455 3.169 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000275853012 456333451 /nfs/dbraw/zinc/33/34/51/456333451.db2.gz LJYPPPBIKJSTHQ-UFYCRDLUSA-N 2 0 341.503 3.180 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCc2ccncc2C)cc1 ZINC000275874994 456337228 /nfs/dbraw/zinc/33/72/28/456337228.db2.gz OKYFKZIIDAXYOI-FQEVSTJZSA-N 2 0 335.455 3.254 20 0 EGADRP CSc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000352824403 456340669 /nfs/dbraw/zinc/34/06/69/456340669.db2.gz QDBRXBYUAGRDJF-ZIAGYGMSSA-N 2 0 328.547 3.449 20 0 EGADRP CCN1CCCC[C@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939544 456354078 /nfs/dbraw/zinc/35/40/78/456354078.db2.gz YROYKDYFBLYNCV-VQTJNVASSA-N 2 0 341.503 3.182 20 0 EGADRP CCN1CC[NH+](C[C@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000302626235 456367220 /nfs/dbraw/zinc/36/72/20/456367220.db2.gz FMRLIPVKHNGYNH-MRXNPFEDSA-N 2 0 326.488 3.229 20 0 EGADRP Cc1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)n1-c1ccccc1 ZINC000290595546 456376463 /nfs/dbraw/zinc/37/64/63/456376463.db2.gz VPLABMLKANIRPY-IBGZPJMESA-N 2 0 338.499 3.344 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343103311 456407381 /nfs/dbraw/zinc/40/73/81/456407381.db2.gz OSBUDGBXPBBWTP-LJQANCHMSA-N 2 0 335.923 3.191 20 0 EGADRP C[C@@H](CCC(C)(C)C)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000348028471 456440341 /nfs/dbraw/zinc/44/03/41/456440341.db2.gz UEWXHKFOLUPGPN-IRXDYDNUSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1(C)C ZINC000282320905 456477024 /nfs/dbraw/zinc/47/70/24/456477024.db2.gz LCEXHVDODCNXFG-UHFFFAOYSA-N 2 0 343.471 3.188 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000303784741 456486945 /nfs/dbraw/zinc/48/69/45/456486945.db2.gz HGFIEDKCQUUIIS-QZTJIDSGSA-N 2 0 345.531 3.497 20 0 EGADRP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000340494215 456491762 /nfs/dbraw/zinc/49/17/62/456491762.db2.gz CULKWAHOZCDZFM-MSOLQXFVSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603504 456499439 /nfs/dbraw/zinc/49/94/39/456499439.db2.gz ZJJURENPNZCFRZ-KSZLIROESA-N 2 0 330.520 3.006 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000282397650 456500501 /nfs/dbraw/zinc/50/05/01/456500501.db2.gz PKTDICHRYHSVHP-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP C[C@H](CC(N)=O)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000340539907 456520209 /nfs/dbraw/zinc/52/02/09/456520209.db2.gz DFAGWNRNHMQWQS-VQIMIIECSA-N 2 0 349.494 3.232 20 0 EGADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282498291 456533203 /nfs/dbraw/zinc/53/32/03/456533203.db2.gz RQEZTSKUMSKZKY-HXUWFJFHSA-N 2 0 329.532 3.361 20 0 EGADRP CSC1(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)CC[NH+](C)CC1 ZINC000353205834 456559581 /nfs/dbraw/zinc/55/95/81/456559581.db2.gz FHEWGDSAQCQRAS-ZDUSSCGKSA-N 2 0 339.574 3.185 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308400918 456572044 /nfs/dbraw/zinc/57/20/44/456572044.db2.gz WOBONACKABIEFA-BTHPGYMESA-N 2 0 328.500 3.444 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCCC2)C(C)(C)C1 ZINC000310059250 456580309 /nfs/dbraw/zinc/58/03/09/456580309.db2.gz IAFBVIUYKPEBMA-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000348274808 456589722 /nfs/dbraw/zinc/58/97/22/456589722.db2.gz WGTDVAMWYYVRJV-KRWDZBQOSA-N 2 0 330.472 3.301 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000348323122 456621941 /nfs/dbraw/zinc/62/19/41/456621941.db2.gz JJKSHEBZRLMBKZ-AHRSYUTCSA-N 2 0 333.520 3.006 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000343468605 456643255 /nfs/dbraw/zinc/64/32/55/456643255.db2.gz LUGCRXZQHPIJKR-VAMGGRTRSA-N 2 0 345.531 3.243 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650966 /nfs/dbraw/zinc/65/09/66/456650966.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 2 0 329.532 3.491 20 0 EGADRP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC(F)F ZINC000326490541 456694667 /nfs/dbraw/zinc/69/46/67/456694667.db2.gz QHHNUTLLWIZFJF-GASCZTMLSA-N 2 0 340.414 3.118 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000353472402 456700136 /nfs/dbraw/zinc/70/01/36/456700136.db2.gz UDCVSGPXXKDRRA-MNEFBYGVSA-N 2 0 329.488 3.388 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000283201536 456735859 /nfs/dbraw/zinc/73/58/59/456735859.db2.gz GKZZUAAGWGESGZ-GOSISDBHSA-N 2 0 333.495 3.031 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277269687 456753911 /nfs/dbraw/zinc/75/39/11/456753911.db2.gz MGPJLZZCMOVEKC-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccccc21 ZINC000283369338 456766752 /nfs/dbraw/zinc/76/67/52/456766752.db2.gz NVYJTTQNENVDMS-WOJBJXKFSA-N 2 0 344.499 3.490 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000283392584 456772086 /nfs/dbraw/zinc/77/20/86/456772086.db2.gz ATPZGSSRFXSMMQ-IBGZPJMESA-N 2 0 331.504 3.131 20 0 EGADRP CN(CCC[N@H+](C)Cc1c(Cl)ccc2cccnc21)CC[NH+](C)C ZINC000344026386 456789358 /nfs/dbraw/zinc/78/93/58/456789358.db2.gz JLLYIGNILKQHBU-UHFFFAOYSA-N 2 0 348.922 3.204 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc21 ZINC000338687374 456852729 /nfs/dbraw/zinc/85/27/29/456852729.db2.gz OJUGGZZCYWHQGW-RBUKOAKNSA-N 2 0 332.488 3.488 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[NH+](CC)CC)c2ccccc21 ZINC000338686514 456853437 /nfs/dbraw/zinc/85/34/37/456853437.db2.gz HIRBJJZEYRKLDG-RBUKOAKNSA-N 2 0 332.488 3.490 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000341675202 456894892 /nfs/dbraw/zinc/89/48/92/456894892.db2.gz JXHQIKQICAEZEM-HXUWFJFHSA-N 2 0 348.450 3.071 20 0 EGADRP COC1(CC[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000339012050 456899786 /nfs/dbraw/zinc/89/97/86/456899786.db2.gz HHRUTQWRUJVCDG-HDICACEKSA-N 2 0 338.536 3.157 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000349194256 456909434 /nfs/dbraw/zinc/90/94/34/456909434.db2.gz RSIWSJKHXSCVFS-OAHLLOKOSA-N 2 0 330.501 3.302 20 0 EGADRP Cc1nc(C(C)C)ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000339044907 456914266 /nfs/dbraw/zinc/91/42/66/456914266.db2.gz QAQQRUFPEFSWTA-MISYRCLQSA-N 2 0 331.504 3.197 20 0 EGADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)nc1 ZINC000339075657 456927699 /nfs/dbraw/zinc/92/76/99/456927699.db2.gz RGXCMFOANGDOTG-QUCCMNQESA-N 2 0 337.467 3.377 20 0 EGADRP CC(C)CCn1cccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000349303896 456937442 /nfs/dbraw/zinc/93/74/42/456937442.db2.gz ZJYWMLHPJOPHHJ-IBGZPJMESA-N 2 0 346.563 3.135 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000353934815 456971412 /nfs/dbraw/zinc/97/14/12/456971412.db2.gz YIEQNPVYPMFFCQ-CYGHRXIMSA-N 2 0 332.488 3.412 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000354100643 457062330 /nfs/dbraw/zinc/06/23/30/457062330.db2.gz OMPGCUNGLFDGHM-IBGZPJMESA-N 2 0 341.499 3.476 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000356598286 457075880 /nfs/dbraw/zinc/07/58/80/457075880.db2.gz PNFFVXJLVFDAKC-WMZOPIPTSA-N 2 0 346.519 3.010 20 0 EGADRP CC(C)OCC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000349881062 457092427 /nfs/dbraw/zinc/09/24/27/457092427.db2.gz LHVWOZNCEPWKEF-ICSRJNTNSA-N 2 0 340.552 3.139 20 0 EGADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)cc(C)c1OC(F)F ZINC000346652774 457093777 /nfs/dbraw/zinc/09/37/77/457093777.db2.gz HYNNEKGVNHXKCS-UHFFFAOYSA-N 2 0 342.430 3.235 20 0 EGADRP CC(C)C[C@@H]([NH3+])c1noc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000339399623 457094942 /nfs/dbraw/zinc/09/49/42/457094942.db2.gz YXIVMVZYBDUCKA-QGZVFWFLSA-N 2 0 328.460 3.495 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342105123 457110905 /nfs/dbraw/zinc/11/09/05/457110905.db2.gz NVELNBXHOIJXPR-BHIYHBOVSA-N 2 0 337.467 3.228 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)n1 ZINC000339439298 457119491 /nfs/dbraw/zinc/11/94/91/457119491.db2.gz HLNMJLHSXQWADP-OAQYLSRUSA-N 2 0 338.499 3.407 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000350037264 457150760 /nfs/dbraw/zinc/15/07/60/457150760.db2.gz MTEHKJRXWUBZSY-UHFFFAOYSA-N 2 0 332.341 3.118 20 0 EGADRP CCc1ccc(CN(C)C(=O)CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000350066072 457159269 /nfs/dbraw/zinc/15/92/69/457159269.db2.gz CVXPXLGSVRCUNR-XLIONFOSSA-N 2 0 345.531 3.012 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)c1 ZINC000362931103 457161839 /nfs/dbraw/zinc/16/18/39/457161839.db2.gz PJZMJTGXRIBOGO-YLJYHZDGSA-N 2 0 345.531 3.123 20 0 EGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000354272771 457167368 /nfs/dbraw/zinc/16/73/68/457167368.db2.gz QOEJSEMIJXVTBW-XLIONFOSSA-N 2 0 345.531 3.354 20 0 EGADRP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347043438 457200130 /nfs/dbraw/zinc/20/01/30/457200130.db2.gz MURMOUKSXWYSPC-YOFSQIOKSA-N 2 0 337.467 3.375 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347051843 457205182 /nfs/dbraw/zinc/20/51/82/457205182.db2.gz RLWNQJVZPLFNPO-LPHOPBHVSA-N 2 0 325.456 3.220 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)CC1CC1 ZINC000356900378 457207528 /nfs/dbraw/zinc/20/75/28/457207528.db2.gz YTOYSKMDPRILTK-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CCC[C@H](C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000350940841 457212829 /nfs/dbraw/zinc/21/28/29/457212829.db2.gz NCLCPKWGXBFQCK-OALUTQOASA-N 2 0 330.520 3.010 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(C[NH2+]C)CC2)c1OC(F)F ZINC000347120995 457239401 /nfs/dbraw/zinc/23/94/01/457239401.db2.gz ZIZQNHJCQSVDAM-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CC1CCN(C(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000357011173 457274356 /nfs/dbraw/zinc/27/43/56/457274356.db2.gz JJOBNKUVSYXQEO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000342422030 457294371 /nfs/dbraw/zinc/29/43/71/457294371.db2.gz YQKKWCOUNNMENV-PKOBYXMFSA-N 2 0 345.531 3.134 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[NH+](C)C)cc1 ZINC000357044449 457295971 /nfs/dbraw/zinc/29/59/71/457295971.db2.gz LUIXCFUIFNBPEE-WWNBULGVSA-N 2 0 345.531 3.229 20 0 EGADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357080849 457311658 /nfs/dbraw/zinc/31/16/58/457311658.db2.gz NGLFZJQEHMBSQR-GOSISDBHSA-N 2 0 325.456 3.472 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000357087780 457315469 /nfs/dbraw/zinc/31/54/69/457315469.db2.gz SHXMNSZOLDSYIB-PKOBYXMFSA-N 2 0 343.515 3.260 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357108131 457325784 /nfs/dbraw/zinc/32/57/84/457325784.db2.gz SWENUBVLUWAHMU-ZBFHGGJFSA-N 2 0 347.528 3.057 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357109215 457327380 /nfs/dbraw/zinc/32/73/80/457327380.db2.gz WTHSTDNGQLTWLF-ZWKOTPCHSA-N 2 0 332.451 3.067 20 0 EGADRP CCc1nnc([C@H](C)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447853 457373365 /nfs/dbraw/zinc/37/33/65/457373365.db2.gz OVGBAZQYBMXDFV-SZMVWBNQSA-N 2 0 340.471 3.147 20 0 EGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352477700 457398848 /nfs/dbraw/zinc/39/88/48/457398848.db2.gz OBUMVVGNAOZFIP-MRXNPFEDSA-N 2 0 349.494 3.186 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)cc1)C(C)C ZINC000425060499 457425351 /nfs/dbraw/zinc/42/53/51/457425351.db2.gz VZKPSJTWGGHETJ-VQTJNVASSA-N 2 0 343.515 3.083 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000385474102 457429784 /nfs/dbraw/zinc/42/97/84/457429784.db2.gz AUVHWJHGZXMHEX-CLAROIROSA-N 3 0 341.543 3.409 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1(C)C ZINC000342809074 457540305 /nfs/dbraw/zinc/54/03/05/457540305.db2.gz GTQPZRZRYHICCC-WOJBJXKFSA-N 2 0 346.515 3.453 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)c1C ZINC000357603944 457617227 /nfs/dbraw/zinc/61/72/27/457617227.db2.gz QRBXNSZYWLQLEH-QFBILLFUSA-N 2 0 325.456 3.151 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cncc(F)c1 ZINC000361175549 457630169 /nfs/dbraw/zinc/63/01/69/457630169.db2.gz PDWAGNHMEJNEBF-HNNXBMFYSA-N 2 0 331.435 3.054 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000357680831 457653767 /nfs/dbraw/zinc/65/37/67/457653767.db2.gz FOJXPBDKAMMMAX-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357861371 457715185 /nfs/dbraw/zinc/71/51/85/457715185.db2.gz XGHZWSRHFJWDOO-QUCCMNQESA-N 2 0 344.547 3.004 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000361473365 457743343 /nfs/dbraw/zinc/74/33/43/457743343.db2.gz APVWVOBKEPTCRC-BZSNNMDCSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358054903 457756695 /nfs/dbraw/zinc/75/66/95/457756695.db2.gz AKMHEWVVLOVKBS-POAQFYNOSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)[C@H](C[NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000433113413 457760509 /nfs/dbraw/zinc/76/05/09/457760509.db2.gz DQBCDDIABZHLHT-FQEVSTJZSA-N 2 0 345.531 3.298 20 0 EGADRP CCOC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411149398 457813861 /nfs/dbraw/zinc/81/38/61/457813861.db2.gz QZMHBDMWDCFCOS-UHFFFAOYSA-N 2 0 344.499 3.448 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[NH+](C)C ZINC000426384495 457817632 /nfs/dbraw/zinc/81/76/32/457817632.db2.gz HCAGPOZUZZQQIE-HKUYNNGSSA-N 2 0 345.531 3.352 20 0 EGADRP CC1(C)CCC[N@H+](CCNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444008524 457841230 /nfs/dbraw/zinc/84/12/30/457841230.db2.gz GYFGIOIMWGAGGP-UHFFFAOYSA-N 2 0 329.532 3.363 20 0 EGADRP COc1cccc2c1CC[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000426579308 457857675 /nfs/dbraw/zinc/85/76/75/457857675.db2.gz LLUDFESUQHBAJK-UHFFFAOYSA-N 2 0 348.450 3.185 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000411576607 457921000 /nfs/dbraw/zinc/92/10/00/457921000.db2.gz XTGTWOMXAMJESL-QGZVFWFLSA-N 2 0 344.421 3.418 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358307172 457923419 /nfs/dbraw/zinc/92/34/19/457923419.db2.gz UVDLSOJKRBOJPA-HOLAOCEGSA-N 2 0 332.463 3.026 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000361895341 457938411 /nfs/dbraw/zinc/93/84/11/457938411.db2.gz WILVBAHXTWHKAR-UHFFFAOYSA-N 2 0 344.503 3.045 20 0 EGADRP CC[C@@H]1C[NH+](CC[C@@H](C)CC[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000411674911 457947183 /nfs/dbraw/zinc/94/71/83/457947183.db2.gz NDWXPZKDTCPPPO-OWZKRDHZSA-N 2 0 340.552 3.405 20 0 EGADRP Cc1cnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000358349113 457949964 /nfs/dbraw/zinc/94/99/64/457949964.db2.gz DHUNZDMVXZRRKN-IHWFROFDSA-N 2 0 336.483 3.113 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458214370 457972243 /nfs/dbraw/zinc/97/22/43/457972243.db2.gz ONJIZNNSJQDDCQ-HNNXBMFYSA-N 2 0 335.492 3.041 20 0 EGADRP O=C(C[C@@H]1CCC[NH2+]CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000427334848 457975163 /nfs/dbraw/zinc/97/51/63/457975163.db2.gz BYMCXBQEXQNTIN-GOSISDBHSA-N 2 0 335.536 3.071 20 0 EGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000358407300 457983682 /nfs/dbraw/zinc/98/36/82/457983682.db2.gz UAYNCFPRGNZBGM-APWZRJJASA-N 2 0 330.520 3.435 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CC(C)C)C2CC2)CC1 ZINC000358432849 458000939 /nfs/dbraw/zinc/00/09/39/458000939.db2.gz VSBNIJZCFFMVLA-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP Cn1cc([C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)c2ccccc2)cn1 ZINC000371745820 458058095 /nfs/dbraw/zinc/05/80/95/458058095.db2.gz FQUYQZWIRNSVPL-OAQYLSRUSA-N 2 0 343.434 3.485 20 0 EGADRP OC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000358577740 458088597 /nfs/dbraw/zinc/08/85/97/458088597.db2.gz UYAAOZGSXINMKW-BEQLGVGBSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435373761 458124256 /nfs/dbraw/zinc/12/42/56/458124256.db2.gz VKYROFCKIFSVIR-JSGCOSHPSA-N 2 0 338.377 3.060 20 0 EGADRP CN(Cc1ccccc1OCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435381154 458128384 /nfs/dbraw/zinc/12/83/84/458128384.db2.gz RUKNKVOOQFIUQZ-YOFSQIOKSA-N 2 0 337.467 3.375 20 0 EGADRP COc1cc(CN2CC[C@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435380970 458128459 /nfs/dbraw/zinc/12/84/59/458128459.db2.gz QWMWPWLWZRDXCI-OAHLLOKOSA-N 2 0 332.469 3.116 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000435382164 458130062 /nfs/dbraw/zinc/13/00/62/458130062.db2.gz ZUCFDDOFRDXUTP-YSIASYRMSA-N 2 0 337.467 3.316 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435395993 458135761 /nfs/dbraw/zinc/13/57/61/458135761.db2.gz UAVCLVDEOOKVHN-QGZVFWFLSA-N 2 0 325.456 3.058 20 0 EGADRP CCN(CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623407 458173799 /nfs/dbraw/zinc/17/37/99/458173799.db2.gz CMPPGVBNSBMCAG-ICSRJNTNSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000446570065 458197568 /nfs/dbraw/zinc/19/75/68/458197568.db2.gz WBUXIQGOJULBIZ-SJLPKXTDSA-N 2 0 346.519 3.127 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000369441360 458214501 /nfs/dbraw/zinc/21/45/01/458214501.db2.gz JDPQXJZGKQHDSM-JOCHJYFZSA-N 2 0 337.511 3.440 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCSCc1ccccc1 ZINC000376490013 458316866 /nfs/dbraw/zinc/31/68/66/458316866.db2.gz FWPFTAKVEALRBI-HSALFYBXSA-N 2 0 348.556 3.493 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCOCC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000447604314 458320573 /nfs/dbraw/zinc/32/05/73/458320573.db2.gz ZVYZKFCZFDBKQN-KRWDZBQOSA-N 2 0 344.503 3.026 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(-c2cccs2)n1 ZINC000369703920 458320865 /nfs/dbraw/zinc/32/08/65/458320865.db2.gz OAFGFTXXOWBHIQ-UHFFFAOYSA-N 2 0 344.528 3.456 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000372696073 458321511 /nfs/dbraw/zinc/32/15/11/458321511.db2.gz SIPMGEQCKNJYME-UHFFFAOYSA-N 2 0 332.488 3.208 20 0 EGADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000372734851 458328755 /nfs/dbraw/zinc/32/87/55/458328755.db2.gz DDUKXHHGITVFHK-FPOVZHCZSA-N 2 0 333.564 3.469 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459323041 458329951 /nfs/dbraw/zinc/32/99/51/458329951.db2.gz JBJKLWIKOXMRPY-IAGOWNOFSA-N 2 0 343.506 3.302 20 0 EGADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000429497617 458338508 /nfs/dbraw/zinc/33/85/08/458338508.db2.gz RHUJUPAKXCIGFN-MRXNPFEDSA-N 2 0 337.467 3.232 20 0 EGADRP CCN(CC)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000459376094 458349465 /nfs/dbraw/zinc/34/94/65/458349465.db2.gz ZTXAEIXEWIGLRL-FQEVSTJZSA-N 2 0 332.536 3.397 20 0 EGADRP COc1ccccc1O[C@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459430071 458369050 /nfs/dbraw/zinc/36/90/50/458369050.db2.gz REHDITLNZOKWCG-MRXNPFEDSA-N 2 0 341.455 3.116 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459462320 458378665 /nfs/dbraw/zinc/37/86/65/458378665.db2.gz KVMQKWDDHXEEDI-QZTJIDSGSA-N 3 0 342.531 3.293 20 0 EGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423451592 458434433 /nfs/dbraw/zinc/43/44/33/458434433.db2.gz YHCGRRHFZXSWLV-KJWYOANISA-N 2 0 332.488 3.174 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C12CCC2 ZINC000423473155 458438477 /nfs/dbraw/zinc/43/84/77/458438477.db2.gz NSKFBVDARBRFRK-RNQOJCNYSA-N 2 0 346.490 3.456 20 0 EGADRP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCCC1 ZINC000423510073 458448018 /nfs/dbraw/zinc/44/80/18/458448018.db2.gz RZFKBUCOAFAUPO-BQJUDKOJSA-N 2 0 327.516 3.004 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000423517108 458449319 /nfs/dbraw/zinc/44/93/19/458449319.db2.gz ULOIRBDTNZTWDT-IFLJBQAJSA-N 3 0 327.516 3.147 20 0 EGADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000423526413 458451625 /nfs/dbraw/zinc/45/16/25/458451625.db2.gz ZHLROHPHTXHNMR-JXFKEZNVSA-N 2 0 335.455 3.398 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459722440 458456762 /nfs/dbraw/zinc/45/67/62/458456762.db2.gz BJXKWFKFAPKSDU-KRWDZBQOSA-N 2 0 344.478 3.450 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](CC)CC ZINC000430663168 458476453 /nfs/dbraw/zinc/47/64/53/458476453.db2.gz FMYKVZDEXWCVGV-YZGWKJHDSA-N 2 0 345.531 3.276 20 0 EGADRP CO[C@@H]1CC[NH+]([C@H](C)CC[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564636 458480802 /nfs/dbraw/zinc/48/08/02/458480802.db2.gz MBVMQQBZJBZLIV-KZNAEPCWSA-N 2 0 340.552 3.259 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000423770929 458481545 /nfs/dbraw/zinc/48/15/45/458481545.db2.gz IKVQUKIQKLFOBG-ACJLOTCBSA-N 2 0 345.874 3.392 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC3(CCCCC3)CC2)CC1 ZINC000423784405 458483605 /nfs/dbraw/zinc/48/36/05/458483605.db2.gz PYIKEZHLKYUAHU-UHFFFAOYSA-N 2 0 335.536 3.153 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000373434081 458492479 /nfs/dbraw/zinc/49/24/79/458492479.db2.gz BOHVJQXMXODUCO-WIYYLYMNSA-N 2 0 341.499 3.389 20 0 EGADRP C[C@H](NC(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc2ccccc21 ZINC000430929825 458506136 /nfs/dbraw/zinc/50/61/36/458506136.db2.gz RAKLJONDQRRKJU-ZKNHNOBHSA-N 2 0 339.483 3.075 20 0 EGADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CC(C)(C)C3CCCCC3)C2)CC1 ZINC000373508245 458513176 /nfs/dbraw/zinc/51/31/76/458513176.db2.gz KGDKDJZXWAHGSR-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC2(C1)CCCCC2)c1ccccc1 ZINC000460381128 458515075 /nfs/dbraw/zinc/51/50/75/458515075.db2.gz QFRBJJGSXVNCNV-IBGZPJMESA-N 2 0 343.515 3.062 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000460391383 458515601 /nfs/dbraw/zinc/51/56/01/458515601.db2.gz YEMDHBZJQWXKAY-LJQANCHMSA-N 2 0 326.525 3.364 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015624 458517560 /nfs/dbraw/zinc/51/75/60/458517560.db2.gz VYCWOMVOYKRESA-UHFFFAOYSA-N 2 0 329.488 3.132 20 0 EGADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087183 458528027 /nfs/dbraw/zinc/52/80/27/458528027.db2.gz PLQHITQFUWOXBE-MRXNPFEDSA-N 2 0 330.476 3.415 20 0 EGADRP C[C@@H](CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000424020822 458539060 /nfs/dbraw/zinc/53/90/60/458539060.db2.gz QBILSWHJOJINNY-KRWDZBQOSA-N 2 0 345.531 3.168 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424139862 458567479 /nfs/dbraw/zinc/56/74/79/458567479.db2.gz FPCQUOORZKBJKT-RBUKOAKNSA-N 2 0 337.552 3.158 20 0 EGADRP CCn1ccnc1[C@H]1CCCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000373721671 458583319 /nfs/dbraw/zinc/58/33/19/458583319.db2.gz VQISMXOOMMERGZ-QGZVFWFLSA-N 2 0 347.507 3.014 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCCCC1 ZINC000438567967 458599857 /nfs/dbraw/zinc/59/98/57/458599857.db2.gz HLWNVNHVGQVSGA-SFHVURJKSA-N 2 0 335.536 3.164 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)co2)cc1 ZINC000424285119 458604454 /nfs/dbraw/zinc/60/44/54/458604454.db2.gz FDZUMYNDFXSQGK-HNNXBMFYSA-N 2 0 341.455 3.314 20 0 EGADRP COC(=O)CC1CC([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000424303444 458610761 /nfs/dbraw/zinc/61/07/61/458610761.db2.gz NZJIOQQHSJXAQZ-FDCMFXBMSA-N 2 0 344.499 3.074 20 0 EGADRP C[NH+](C)[C@H](CC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000431734228 458615416 /nfs/dbraw/zinc/61/54/16/458615416.db2.gz VTKGMCYAZCBLIT-GOSISDBHSA-N 2 0 331.504 3.059 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000431798712 458626261 /nfs/dbraw/zinc/62/62/61/458626261.db2.gz QSJMOPVDFRDXTD-HXUWFJFHSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1c(C3CC3)nc3sccn13)CC[NH2+]CC2 ZINC000424373440 458628249 /nfs/dbraw/zinc/62/82/49/458628249.db2.gz GVUIZEHIJYIOKT-CYBMUJFWSA-N 2 0 330.501 3.237 20 0 EGADRP CCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OCC ZINC000424374597 458628314 /nfs/dbraw/zinc/62/83/14/458628314.db2.gz IHJHIMKWXSWOBH-INIZCTEOSA-N 2 0 332.488 3.448 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424378572 458629396 /nfs/dbraw/zinc/62/93/96/458629396.db2.gz TZQGGQZAYDQYJP-COLVAYQJSA-N 2 0 329.257 3.379 20 0 EGADRP CCCc1csc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000494199693 458639004 /nfs/dbraw/zinc/63/90/04/458639004.db2.gz XTAVCFAAOUKAMJ-UHFFFAOYSA-N 2 0 330.501 3.497 20 0 EGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000456361140 458646226 /nfs/dbraw/zinc/64/62/26/458646226.db2.gz VPGFKWLDNSQVJC-IBGZPJMESA-N 2 0 343.515 3.227 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000470984218 458672130 /nfs/dbraw/zinc/67/21/30/458672130.db2.gz QYPWIDJGXQKWQD-MJGOQNOKSA-N 2 0 343.515 3.294 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(NCC[NH+]3CCCCCC3)CC2)cc1 ZINC000463137596 458678489 /nfs/dbraw/zinc/67/84/89/458678489.db2.gz LIBSKSFWHHPMBH-UHFFFAOYSA-N 2 0 347.522 3.298 20 0 EGADRP C[C@H](C[NH2+]Cc1csc(Cl)c1Cl)CN1CC[NH+](C)CC1 ZINC000432246874 458704162 /nfs/dbraw/zinc/70/41/62/458704162.db2.gz PPNANXUCQANXSS-LLVKDONJSA-N 2 0 336.332 3.028 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530232944 458725546 /nfs/dbraw/zinc/72/55/46/458725546.db2.gz MVGWNALBLGYSQX-PELRDEGISA-N 2 0 330.516 3.397 20 0 EGADRP COCCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000530279204 458740012 /nfs/dbraw/zinc/74/00/12/458740012.db2.gz YYRDCQWUFXJAJP-OAQYLSRUSA-N 2 0 330.516 3.488 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440122850 458784020 /nfs/dbraw/zinc/78/40/20/458784020.db2.gz YKZMBPZLZPVKOI-KVPLUYHFSA-N 2 0 347.547 3.257 20 0 EGADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000548064675 458831595 /nfs/dbraw/zinc/83/15/95/458831595.db2.gz XNPSTNSVOSSABI-QZTJIDSGSA-N 2 0 349.563 3.410 20 0 EGADRP COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354063 458859728 /nfs/dbraw/zinc/85/97/28/458859728.db2.gz ZABRWUZJBBUAQQ-IUODEOHRSA-N 2 0 326.868 3.129 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@@H]1C ZINC000474799638 458901149 /nfs/dbraw/zinc/90/11/49/458901149.db2.gz IRXLWCOHOXMTEL-NEWSRXKRSA-N 2 0 338.536 3.312 20 0 EGADRP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000466716030 458914803 /nfs/dbraw/zinc/91/48/03/458914803.db2.gz KGRZGDDXTXLTBH-AWEZNQCLSA-N 2 0 346.393 3.238 20 0 EGADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495711235 458927601 /nfs/dbraw/zinc/92/76/01/458927601.db2.gz JFEZPZQCYBDEGN-DLBZAZTESA-N 2 0 339.524 3.050 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2ccccc21 ZINC000519401809 458944971 /nfs/dbraw/zinc/94/49/71/458944971.db2.gz HCAPORSBDCZPLN-WOJBJXKFSA-N 2 0 338.451 3.417 20 0 EGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566482989 458946351 /nfs/dbraw/zinc/94/63/51/458946351.db2.gz QVRQDPHTCGGEGC-LERXQTSPSA-N 2 0 329.257 3.379 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CC=CCC4)[C@H]3C2)cc1 ZINC000475500450 458948113 /nfs/dbraw/zinc/94/81/13/458948113.db2.gz BQRHIPOZCLKPRO-FDFHNCONSA-N 2 0 339.527 3.139 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000531702690 458964545 /nfs/dbraw/zinc/96/45/45/458964545.db2.gz HQDGFGDTYKHVOQ-KKSFZXQISA-N 2 0 347.522 3.312 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000577183184 458994019 /nfs/dbraw/zinc/99/40/19/458994019.db2.gz USYRAZRBWRCMPS-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000495950418 459015791 /nfs/dbraw/zinc/01/57/91/459015791.db2.gz ODSGJTYUNOXQFM-PMPSAXMXSA-N 2 0 327.513 3.142 20 0 EGADRP FC(F)(F)CCN1CCC([NH2+]Cc2noc3ccccc32)CC1 ZINC000566924394 459022559 /nfs/dbraw/zinc/02/25/59/459022559.db2.gz PRRDNXNNQFWZMP-UHFFFAOYSA-N 2 0 327.350 3.334 20 0 EGADRP CCCCCNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476980500 459025606 /nfs/dbraw/zinc/02/56/06/459025606.db2.gz GRQWPSSGEQEPIH-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@H](O)CC(F)(F)F)c2)CC1 ZINC000577483794 459040028 /nfs/dbraw/zinc/04/00/28/459040028.db2.gz DMKHAUCZDDLFCY-QGZVFWFLSA-N 2 0 344.421 3.321 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000442917546 459059898 /nfs/dbraw/zinc/05/98/98/459059898.db2.gz AUQYXUFNBQAYEA-QGZVFWFLSA-N 2 0 325.456 3.221 20 0 EGADRP COc1ccc(CNCc2cnc3n2CCCC3)c(Cl)c1OC ZINC000557350071 459065539 /nfs/dbraw/zinc/06/55/39/459065539.db2.gz OKXUGDUCGSJIOH-UHFFFAOYSA-N 2 0 335.835 3.180 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477917680 459066550 /nfs/dbraw/zinc/06/65/50/459066550.db2.gz OIVCUIZEOHHUTN-QUCCMNQESA-N 2 0 329.532 3.219 20 0 EGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477916892 459066957 /nfs/dbraw/zinc/06/69/57/459066957.db2.gz NJCOHFDIDKGWEQ-IBGZPJMESA-N 2 0 336.495 3.485 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477923790 459067835 /nfs/dbraw/zinc/06/78/35/459067835.db2.gz BZUVMXJSCWSNDV-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443069333 459082596 /nfs/dbraw/zinc/08/25/96/459082596.db2.gz JQEHIHQPEBCQRK-OLZOCXBDSA-N 2 0 343.393 3.093 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000532450338 459090282 /nfs/dbraw/zinc/09/02/82/459090282.db2.gz JWLCLDPDRNWACY-GOSISDBHSA-N 2 0 333.520 3.072 20 0 EGADRP COc1ncc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000532778062 459142887 /nfs/dbraw/zinc/14/28/87/459142887.db2.gz JPNNQXFSSAHQFY-WMLDXEAASA-N 2 0 335.879 3.192 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000567683084 459145287 /nfs/dbraw/zinc/14/52/87/459145287.db2.gz GYJXCNDRZHGXST-NRFANRHFSA-N 2 0 348.531 3.184 20 0 EGADRP CC(C)C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000521380188 459145578 /nfs/dbraw/zinc/14/55/78/459145578.db2.gz OCOAXPORZDICHE-HKUYNNGSSA-N 2 0 333.520 3.208 20 0 EGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000479794220 459167080 /nfs/dbraw/zinc/16/70/80/459167080.db2.gz SXZLXBBMLOVLEQ-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP CSC1(C[NH2+]Cc2cccc(OC3CC3)c2F)CC[NH+](C)CC1 ZINC000594940392 459185057 /nfs/dbraw/zinc/18/50/57/459185057.db2.gz BHEIVDMYHQIIHY-UHFFFAOYSA-N 2 0 338.492 3.284 20 0 EGADRP COc1cccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000480312598 459193683 /nfs/dbraw/zinc/19/36/83/459193683.db2.gz ZKFZXRLOWLKKEU-PKOBYXMFSA-N 2 0 339.483 3.481 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]CCC(=O)Nc3cccnc3)CC2)CC1 ZINC000578435501 459200952 /nfs/dbraw/zinc/20/09/52/459200952.db2.gz DZCRQPHQVPYLRP-UHFFFAOYSA-N 2 0 344.503 3.043 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000558723225 459204025 /nfs/dbraw/zinc/20/40/25/459204025.db2.gz OJKNQXRCZHIRFG-QRVBRYPASA-N 2 0 338.536 3.205 20 0 EGADRP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590786961 459219875 /nfs/dbraw/zinc/21/98/75/459219875.db2.gz OJGXVKMCFXHEJC-GOSISDBHSA-N 2 0 345.531 3.052 20 0 EGADRP COc1ccc(NC(=O)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000533409489 459231962 /nfs/dbraw/zinc/23/19/62/459231962.db2.gz XARDMNRJVUCEIM-UHFFFAOYSA-N 2 0 347.503 3.076 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559259856 459245869 /nfs/dbraw/zinc/24/58/69/459245869.db2.gz IMRVIDIUBHSQLZ-OAHLLOKOSA-N 2 0 337.305 3.238 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC000595311545 459273745 /nfs/dbraw/zinc/27/37/45/459273745.db2.gz HOKAPPPHYRFDQZ-FCEUIQTBSA-N 2 0 341.543 3.282 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000559753074 459275589 /nfs/dbraw/zinc/27/55/89/459275589.db2.gz KYHNNQAPVVHXDB-NQIIRXRSSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]1[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000559753073 459275970 /nfs/dbraw/zinc/27/59/70/459275970.db2.gz KYHNNQAPVVHXDB-GHTZIAJQSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000559984934 459290660 /nfs/dbraw/zinc/29/06/60/459290660.db2.gz AJDCHMMQVIIPDH-YZGWKJHDSA-N 2 0 329.532 3.389 20 0 EGADRP CC(C)C[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000496729617 459303784 /nfs/dbraw/zinc/30/37/84/459303784.db2.gz DOGJFXQYFMSWPZ-KRWDZBQOSA-N 2 0 341.540 3.388 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000523775259 459330887 /nfs/dbraw/zinc/33/08/87/459330887.db2.gz HFVCCYCNOWBYRA-FQEVSTJZSA-N 2 0 343.515 3.234 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CCCC[NH+](C)C)c2ccccc2)CC1 ZINC000560602040 459379138 /nfs/dbraw/zinc/37/91/38/459379138.db2.gz SQADHIFEWHWJSQ-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP COc1nc2ccccc2cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000582824939 459432290 /nfs/dbraw/zinc/43/22/90/459432290.db2.gz PXEVEQHMMQVKKN-UHFFFAOYSA-N 2 0 325.456 3.207 20 0 EGADRP C[C@H]1CCC[C@@]1(O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000582858502 459440530 /nfs/dbraw/zinc/44/05/30/459440530.db2.gz GUZSNGBEZLMJSR-HNAYVOBHSA-N 2 0 336.907 3.445 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCC2 ZINC000569484402 459460239 /nfs/dbraw/zinc/46/02/39/459460239.db2.gz IPIWMJYPGJWBDB-HXUWFJFHSA-N 2 0 347.572 3.402 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000541557369 459466529 /nfs/dbraw/zinc/46/65/29/459466529.db2.gz FUGQZGQTYMXGMQ-JKSUJKDBSA-N 2 0 329.488 3.486 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000583052281 459473329 /nfs/dbraw/zinc/47/33/29/459473329.db2.gz ZTCUETFXTOGAQP-INIZCTEOSA-N 2 0 332.488 3.326 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000497247268 459501621 /nfs/dbraw/zinc/50/16/21/459501621.db2.gz ZQDQACPWKDIQTE-IAGOWNOFSA-N 2 0 341.540 3.390 20 0 EGADRP C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000562502978 459574217 /nfs/dbraw/zinc/57/42/17/459574217.db2.gz RUDMEVARRHQRNU-FGYAAKKASA-N 2 0 340.552 3.017 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000542666881 459579378 /nfs/dbraw/zinc/57/93/78/459579378.db2.gz YZOZGCFGGZEPHP-CQSZACIVSA-N 2 0 343.309 3.458 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000583733994 459587589 /nfs/dbraw/zinc/58/75/89/459587589.db2.gz CVCDPJVNCUQMLM-PNWMKBJFSA-N 2 0 327.516 3.190 20 0 EGADRP CC1=CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000572861927 459588081 /nfs/dbraw/zinc/58/80/81/459588081.db2.gz GSJGGKGAYQKDFZ-NHCUHLMSSA-N 2 0 327.516 3.454 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000562592401 459595660 /nfs/dbraw/zinc/59/56/60/459595660.db2.gz DWXPEWOZKNIAKA-NHCUHLMSSA-N 2 0 329.532 3.488 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000583814699 459600896 /nfs/dbraw/zinc/60/08/96/459600896.db2.gz IJBUUMXQNUXFAR-YFVAEKQCSA-N 2 0 349.563 3.397 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CN1CCC(C)(C)C1 ZINC000583943621 459621668 /nfs/dbraw/zinc/62/16/68/459621668.db2.gz PHBOLAWGBRPQGZ-UHFFFAOYSA-N 2 0 347.503 3.078 20 0 EGADRP CCc1cccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000573097153 459625809 /nfs/dbraw/zinc/62/58/09/459625809.db2.gz KMXGPJILTMWMLI-UHFFFAOYSA-N 2 0 337.511 3.286 20 0 EGADRP CC[N@H+](CCSC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000592529389 459627291 /nfs/dbraw/zinc/62/72/91/459627291.db2.gz NJBRTMSUIZNGMI-UHFFFAOYSA-N 2 0 335.561 3.402 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000573111314 459628020 /nfs/dbraw/zinc/62/80/20/459628020.db2.gz QSIHHFZOFQTYBD-QFBILLFUSA-N 2 0 338.923 3.488 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)COC(C)C)CC2)c1 ZINC000501473497 459730229 /nfs/dbraw/zinc/73/02/29/459730229.db2.gz OFJYQVUZMNXCET-HXUWFJFHSA-N 2 0 347.547 3.300 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000584497370 459753838 /nfs/dbraw/zinc/75/38/38/459753838.db2.gz VAXORURKOSAFHV-CABCVRRESA-N 2 0 337.895 3.377 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000584584815 459772265 /nfs/dbraw/zinc/77/22/65/459772265.db2.gz WDZBJPBUUYTNQI-HNNXBMFYSA-N 2 0 339.911 3.055 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000566230076 459827118 /nfs/dbraw/zinc/82/71/18/459827118.db2.gz FPZYQYXKJXKRQV-JKSUJKDBSA-N 2 0 328.504 3.444 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000593320254 459840148 /nfs/dbraw/zinc/84/01/48/459840148.db2.gz BQUYJOPIBJJAAB-YOEHRIQHSA-N 2 0 336.451 3.276 20 0 EGADRP CC(C)(C)[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000575181502 459943179 /nfs/dbraw/zinc/94/31/79/459943179.db2.gz JAOOORHYCUSXBE-INIZCTEOSA-N 2 0 343.437 3.287 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000621642545 459994120 /nfs/dbraw/zinc/99/41/20/459994120.db2.gz QBTFGYRUPXTJLA-NVXWUHKLSA-N 2 0 337.533 3.027 20 0 EGADRP Cc1nccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000621728950 460032813 /nfs/dbraw/zinc/03/28/13/460032813.db2.gz DKBXWKLTGOXSHW-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602642679 460038953 /nfs/dbraw/zinc/03/89/53/460038953.db2.gz FXVYDFUFYLCAQL-XFKSJGNHSA-N 2 0 342.483 3.286 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000598964809 460107082 /nfs/dbraw/zinc/10/70/82/460107082.db2.gz YRQRYTPHGNUNEP-INIZCTEOSA-N 2 0 335.492 3.018 20 0 EGADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000576364419 460126418 /nfs/dbraw/zinc/12/64/18/460126418.db2.gz GPGZNCAQBZFGFM-ZVDOUQERSA-N 2 0 327.516 3.428 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000576397483 460132852 /nfs/dbraw/zinc/13/28/52/460132852.db2.gz QCUDSNQZNKQLTC-SLFFLAALSA-N 2 0 345.531 3.483 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000576402261 460134813 /nfs/dbraw/zinc/13/48/13/460134813.db2.gz APQLJDBDPYHKAE-GOSISDBHSA-N 2 0 333.520 3.167 20 0 EGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000576628447 460180909 /nfs/dbraw/zinc/18/09/09/460180909.db2.gz ZBYMIWSUSWPQGY-JOCHJYFZSA-N 2 0 338.495 3.207 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000576640060 460182676 /nfs/dbraw/zinc/18/26/76/460182676.db2.gz OXTMPDLECOGZQA-MAUKXSAKSA-N 2 0 349.544 3.102 20 0 EGADRP COC(=O)CCCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000599363323 460239961 /nfs/dbraw/zinc/23/99/61/460239961.db2.gz PFKIHCXBASCWCO-IRXDYDNUSA-N 2 0 332.488 3.076 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622569217 460280357 /nfs/dbraw/zinc/28/03/57/460280357.db2.gz WCBYMJNYPXVIFV-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CCN(Cc1nc(C(C)(C)C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061834 460358533 /nfs/dbraw/zinc/35/85/33/460358533.db2.gz WNOGAQMHSPKQBA-UHFFFAOYSA-N 2 0 330.476 3.451 20 0 EGADRP CC(=O)NCCC[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000623015093 460384252 /nfs/dbraw/zinc/38/42/52/460384252.db2.gz BXOUCKZSGVLKRS-OAQYLSRUSA-N 2 0 345.531 3.041 20 0 EGADRP CC(C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000628612232 460465994 /nfs/dbraw/zinc/46/59/94/460465994.db2.gz UZWXZZVXCLERSE-FQEVSTJZSA-N 2 0 345.531 3.087 20 0 EGADRP CC(C)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1F ZINC000634678326 460472248 /nfs/dbraw/zinc/47/22/48/460472248.db2.gz PNPBXZJXXHIABC-LJQANCHMSA-N 2 0 339.474 3.278 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668094 460501597 /nfs/dbraw/zinc/50/15/97/460501597.db2.gz VLLBEXFSZAOWRJ-DBXWQHBBSA-N 3 0 329.532 3.074 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[NH+](C)C2)cc1 ZINC000628756268 460531520 /nfs/dbraw/zinc/53/15/20/460531520.db2.gz QTATXEKSNXLMOJ-LJQANCHMSA-N 2 0 345.531 3.380 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000623888702 460763912 /nfs/dbraw/zinc/76/39/12/460763912.db2.gz QMYFCYXDJKUFGH-OLZOCXBDSA-N 2 0 347.400 3.131 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000629537657 460799686 /nfs/dbraw/zinc/79/96/86/460799686.db2.gz KKUQRDNCGKFVAI-ICSRJNTNSA-N 2 0 331.504 3.232 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000629540695 460800520 /nfs/dbraw/zinc/80/05/20/460800520.db2.gz WTIBIZZSRDCKKW-QUCCMNQESA-N 2 0 331.504 3.232 20 0 EGADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000629541831 460801278 /nfs/dbraw/zinc/80/12/78/460801278.db2.gz WWZQGAHBQPWREY-GHTZIAJQSA-N 2 0 345.531 3.486 20 0 EGADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000635495042 460810539 /nfs/dbraw/zinc/81/05/39/460810539.db2.gz MGHHNFJSOKLQMJ-QUCCMNQESA-N 2 0 347.547 3.118 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000617344878 460819940 /nfs/dbraw/zinc/81/99/40/460819940.db2.gz RELOJYKWVXPEGF-SFHVURJKSA-N 2 0 331.504 3.131 20 0 EGADRP COc1ccc(-c2ccccc2C)cc1C[N@H+](C)CCOCC[NH3+] ZINC000629661607 460854678 /nfs/dbraw/zinc/85/46/78/460854678.db2.gz BUMASMBKGGNVQF-UHFFFAOYSA-N 2 0 328.456 3.078 20 0 EGADRP C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000624123546 460873159 /nfs/dbraw/zinc/87/31/59/460873159.db2.gz NWEWRPGQZUGOFD-QWHCGFSZSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH+](C)C2CCC2)cc1 ZINC000629948762 460968473 /nfs/dbraw/zinc/96/84/73/460968473.db2.gz IPMNWCRXWCSKNR-MRXNPFEDSA-N 2 0 329.488 3.484 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000608359199 461045243 /nfs/dbraw/zinc/04/52/43/461045243.db2.gz HOKANOUXLBDWSG-OAHLLOKOSA-N 2 0 343.471 3.097 20 0 EGADRP COC[C@H](C)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000668147071 461134256 /nfs/dbraw/zinc/13/42/56/461134256.db2.gz YZJNZTGKUDMWMR-UBLGTCEWSA-N 2 0 332.488 3.157 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000652349291 461141712 /nfs/dbraw/zinc/14/17/12/461141712.db2.gz JHYYIXCQGNZYFX-VMGRFDJRSA-N 2 0 326.843 3.197 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ncc(-c4cccs4)o3)C2)C1 ZINC000652349351 461142464 /nfs/dbraw/zinc/14/24/64/461142464.db2.gz LMZPKLGDXGCFQC-RBSFLKMASA-N 2 0 347.484 3.121 20 0 EGADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c2ccccc2n1 ZINC000652363065 461156724 /nfs/dbraw/zinc/15/67/24/461156724.db2.gz XDKBLYFLGGZLEX-WMQCIHAUSA-N 2 0 339.483 3.404 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C(C)(C)CC)CC2)o1 ZINC000655273718 461159607 /nfs/dbraw/zinc/15/96/07/461159607.db2.gz MMPKLTHDVPXZJY-UHFFFAOYSA-N 2 0 335.492 3.068 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1OC(F)F)CC[NH2+]CC2 ZINC000662283450 461166166 /nfs/dbraw/zinc/16/61/66/461166166.db2.gz OHJHCSALQUGARC-LBPRGKRZSA-N 2 0 328.378 3.391 20 0 EGADRP CCOc1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295018 461173815 /nfs/dbraw/zinc/17/38/15/461173815.db2.gz YEUMTIVRBKGCNY-SFHVURJKSA-N 2 0 332.488 3.176 20 0 EGADRP c1cc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cs1 ZINC000662297852 461175408 /nfs/dbraw/zinc/17/54/08/461175408.db2.gz SLJNOMANXJTMET-AWEZNQCLSA-N 2 0 332.473 3.010 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000662347604 461202357 /nfs/dbraw/zinc/20/23/57/461202357.db2.gz IDJCTJAJXHPBIP-SFTDATJTSA-N 2 0 349.478 3.174 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000638120839 461252956 /nfs/dbraw/zinc/25/29/56/461252956.db2.gz APUZRNPHDCLWBK-HLLBOEOZSA-N 2 0 337.533 3.011 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659303224 461282536 /nfs/dbraw/zinc/28/25/36/461282536.db2.gz MFRDRHFXSJGSAN-KRWDZBQOSA-N 2 0 337.467 3.427 20 0 EGADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000633944382 461341949 /nfs/dbraw/zinc/34/19/49/461341949.db2.gz RRJHODGQCIUSLP-GOSISDBHSA-N 2 0 347.547 3.118 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662691039 461348087 /nfs/dbraw/zinc/34/80/87/461348087.db2.gz QPNLQFFQNWHOFN-SFHVURJKSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)N(C)CC(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000659453975 461354862 /nfs/dbraw/zinc/35/48/62/461354862.db2.gz BLGQVHPLFVKCMX-MRXNPFEDSA-N 2 0 346.519 3.029 20 0 EGADRP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C(C)C)cc1 ZINC000638310593 461361000 /nfs/dbraw/zinc/36/10/00/461361000.db2.gz QJURJCHNTJURHL-IBGZPJMESA-N 2 0 334.504 3.217 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662745551 461363194 /nfs/dbraw/zinc/36/31/94/461363194.db2.gz NOOPOQOMRAJRKN-RBUKOAKNSA-N 2 0 343.515 3.012 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3nsc4ccccc43)CC2)C1 ZINC000641799951 461378349 /nfs/dbraw/zinc/37/83/49/461378349.db2.gz UEQDNOHFXVGMSH-WMLDXEAASA-N 2 0 331.485 3.015 20 0 EGADRP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638377456 461395590 /nfs/dbraw/zinc/39/55/90/461395590.db2.gz UWPGVHGWMDAHEQ-INIZCTEOSA-N 2 0 334.504 3.360 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000638387288 461401937 /nfs/dbraw/zinc/40/19/37/461401937.db2.gz VZLGEIOHSQUOFR-ROUUACIJSA-N 2 0 333.545 3.072 20 0 EGADRP Nc1c(F)cccc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000638453940 461434937 /nfs/dbraw/zinc/43/49/37/461434937.db2.gz BIYQRNBJHWDLRC-UHFFFAOYSA-N 2 0 333.476 3.471 20 0 EGADRP CC[C@H](CC(F)F)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000659866515 461467609 /nfs/dbraw/zinc/46/76/09/461467609.db2.gz SYRQCBBHAAZWIL-BRWVUGGUSA-N 2 0 331.495 3.158 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(Sc3ccccc3)CC2)CC1 ZINC000638524961 461467372 /nfs/dbraw/zinc/46/73/72/461467372.db2.gz UPEYINJYOFPSSR-UHFFFAOYSA-N 2 0 334.529 3.136 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000655838001 461490505 /nfs/dbraw/zinc/49/05/05/461490505.db2.gz YSNWBBCRDKRIRF-DLBZAZTESA-N 2 0 327.472 3.304 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848632 461496631 /nfs/dbraw/zinc/49/66/31/461496631.db2.gz JDMOQZGGINDXDJ-YYWHXJBOSA-N 2 0 345.531 3.295 20 0 EGADRP COc1cccc(SCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000660003414 461539124 /nfs/dbraw/zinc/53/91/24/461539124.db2.gz JHYBUHRSSFIXHY-UHFFFAOYSA-N 2 0 329.469 3.005 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663343832 461570525 /nfs/dbraw/zinc/57/05/25/461570525.db2.gz GMOLHMLAVHQREL-YLJYHZDGSA-N 2 0 328.500 3.264 20 0 EGADRP C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344212 461571122 /nfs/dbraw/zinc/57/11/22/461571122.db2.gz PFTVPEAVDRALGO-IBGZPJMESA-N 2 0 333.564 3.495 20 0 EGADRP C[C@@H]1[C@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C[N@@H+]1C ZINC000650146423 461597655 /nfs/dbraw/zinc/59/76/55/461597655.db2.gz ARORQOQDAXDBJI-KSZLIROESA-N 2 0 343.515 3.226 20 0 EGADRP c1ccc(-c2noc(C3CC[NH+](CC[C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000643057858 461599235 /nfs/dbraw/zinc/59/92/35/461599235.db2.gz MWNQDUMNRTZWHZ-INIZCTEOSA-N 2 0 340.471 3.306 20 0 EGADRP Brc1cnccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000631178868 461618193 /nfs/dbraw/zinc/61/81/93/461618193.db2.gz OAICJKCSTSVQGW-UHFFFAOYSA-N 2 0 338.293 3.056 20 0 EGADRP OCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000647322163 461633223 /nfs/dbraw/zinc/63/32/23/461633223.db2.gz IXEHSXAZJLKSID-DKUWSORSSA-N 2 0 336.479 3.464 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000631196386 461637069 /nfs/dbraw/zinc/63/70/69/461637069.db2.gz QUNXWEXAXFSWRO-LPHOPBHVSA-N 2 0 340.467 3.259 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)cc1 ZINC000639001856 461674612 /nfs/dbraw/zinc/67/46/12/461674612.db2.gz POVQSUPKJJMIGB-OXQOHEQNSA-N 2 0 337.467 3.019 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC[N@@H+]1C ZINC000631338902 461719558 /nfs/dbraw/zinc/71/95/58/461719558.db2.gz OJRURXWUMWWSEH-FFZOFVMBSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)cn2)n1 ZINC000643463516 461734723 /nfs/dbraw/zinc/73/47/23/461734723.db2.gz UGKKKOJCBPAGNO-KXBFYZLASA-N 2 0 341.503 3.285 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469320 461738739 /nfs/dbraw/zinc/73/87/39/461738739.db2.gz KBPDVNLLLFDUSC-BBRMVZONSA-N 2 0 325.294 3.359 20 0 EGADRP [NH3+]C1CCC([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1 ZINC000643493198 461744335 /nfs/dbraw/zinc/74/43/35/461744335.db2.gz QPEHFTZYHLRVMR-YMAMQOFZSA-N 2 0 346.425 3.003 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000643537135 461756145 /nfs/dbraw/zinc/75/61/45/461756145.db2.gz ZYKQZMICEZCTKH-ABAIWWIYSA-N 2 0 339.277 3.250 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647544511 461758459 /nfs/dbraw/zinc/75/84/59/461758459.db2.gz BVUUJZFLZULOLA-SJORKVTESA-N 2 0 342.487 3.200 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544360 461758732 /nfs/dbraw/zinc/75/87/32/461758732.db2.gz ZLHMLHZBXRBCSQ-RBUKOAKNSA-N 2 0 346.515 3.443 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000643544662 461758881 /nfs/dbraw/zinc/75/88/81/461758881.db2.gz SGHIOPAGWXKJJG-OAHLLOKOSA-N 2 0 344.528 3.096 20 0 EGADRP c1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647543606 461759814 /nfs/dbraw/zinc/75/98/14/461759814.db2.gz QEIISEANHJVYRY-UXHICEINSA-N 2 0 336.483 3.355 20 0 EGADRP COc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1OC1CCCC1 ZINC000647548710 461761246 /nfs/dbraw/zinc/76/12/46/461761246.db2.gz QRIYCPVAHKHMJN-RYQLBKOJSA-N 2 0 344.499 3.494 20 0 EGADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643548043 461761428 /nfs/dbraw/zinc/76/14/28/461761428.db2.gz LZAMFQMREMHODI-VWNJHIHFSA-N 2 0 337.305 3.358 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000647544968 461761584 /nfs/dbraw/zinc/76/15/84/461761584.db2.gz SVBNYFFIEDSPCF-MJGOQNOKSA-N 2 0 345.874 3.216 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000647549785 461763362 /nfs/dbraw/zinc/76/33/62/461763362.db2.gz QLJBMWPWMKXMPN-XLSPSMHOSA-N 2 0 330.472 3.133 20 0 EGADRP CC[C@@H]1c2ccccc2CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000669690153 461768591 /nfs/dbraw/zinc/76/85/91/461768591.db2.gz KLZCVVJDGZMEQH-OAQYLSRUSA-N 2 0 329.532 3.412 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCn2ccc3cc(Cl)ccc32)CC1 ZINC000639157638 461771647 /nfs/dbraw/zinc/77/16/47/461771647.db2.gz PCTLRDHNJKMEEI-UHFFFAOYSA-N 2 0 349.906 3.120 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656534177 461777048 /nfs/dbraw/zinc/77/70/48/461777048.db2.gz GYYDKIJSEMODDX-FQEVSTJZSA-N 2 0 344.886 3.239 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1)c1ccco1 ZINC000647786793 461834265 /nfs/dbraw/zinc/83/42/65/461834265.db2.gz YTNLOXIYQCHIST-XYJFISCASA-N 2 0 339.439 3.010 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000647786195 461834587 /nfs/dbraw/zinc/83/45/87/461834587.db2.gz KCINJRSHRMVKCY-KZNAEPCWSA-N 2 0 332.488 3.004 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647786225 461835013 /nfs/dbraw/zinc/83/50/13/461835013.db2.gz LDLLCRQTSUVDKJ-YFHUEUNASA-N 2 0 333.907 3.144 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647788920 461835807 /nfs/dbraw/zinc/83/58/07/461835807.db2.gz VJZQFWNZZSYXDX-FDFHNCONSA-N 3 0 341.543 3.396 20 0 EGADRP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647790242 461836717 /nfs/dbraw/zinc/83/67/17/461836717.db2.gz VBRAHVPOSFVGQC-SOUVJXGZSA-N 2 0 328.378 3.105 20 0 EGADRP Brc1cccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791895 461837235 /nfs/dbraw/zinc/83/72/35/461837235.db2.gz PJDIJLMIGAXLKL-HLLBOEOZSA-N 2 0 337.305 3.359 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000656679105 461838330 /nfs/dbraw/zinc/83/83/30/461838330.db2.gz VODJWRJKDIRTLN-HXUWFJFHSA-N 2 0 332.463 3.294 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856393 461838428 /nfs/dbraw/zinc/83/84/28/461838428.db2.gz GJLDHPKXCYLDQG-MRXNPFEDSA-N 2 0 332.879 3.374 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000647794272 461838771 /nfs/dbraw/zinc/83/87/71/461838771.db2.gz WUEQKGXTRJOQLD-PHAGKYIGSA-N 2 0 333.907 3.063 20 0 EGADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799951 461841913 /nfs/dbraw/zinc/84/19/13/461841913.db2.gz VJQAMILVJDKUDH-LDDOYCOJSA-N 2 0 329.463 3.226 20 0 EGADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798940 461842155 /nfs/dbraw/zinc/84/21/55/461842155.db2.gz ZEVJVXTWWQCUJR-IXDOHACOSA-N 2 0 346.544 3.032 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(=O)NCc1cccs1 ZINC000647802407 461843772 /nfs/dbraw/zinc/84/37/72/461843772.db2.gz KGZNQIYGZWHMGS-XMTFNYHQSA-N 2 0 349.544 3.043 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cn21 ZINC000647803930 461844780 /nfs/dbraw/zinc/84/47/80/461844780.db2.gz DRFILFPCULRVTF-GBESFXJTSA-N 2 0 326.488 3.086 20 0 EGADRP FC(F)(F)c1ccccc1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814864 461849753 /nfs/dbraw/zinc/84/97/53/461849753.db2.gz JDNYWQPSJIXIDV-UHFFFAOYSA-N 2 0 328.378 3.301 20 0 EGADRP COc1ccc(-c2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000666901587 461859748 /nfs/dbraw/zinc/85/97/48/461859748.db2.gz XNDBKFNFLAPLEC-HNNXBMFYSA-N 2 0 331.485 3.441 20 0 EGADRP COc1cc(C)c([C@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000639334168 461867677 /nfs/dbraw/zinc/86/76/77/461867677.db2.gz ADNCGGCNFMYTAY-ROUUACIJSA-N 2 0 334.504 3.416 20 0 EGADRP c1cc2c(c([C@H]3CCC[N@H+]3CCCC3CC[NH2+]CC3)c1)OCCO2 ZINC000647883920 461870120 /nfs/dbraw/zinc/87/01/20/461870120.db2.gz KDXWXVDUHVPCIH-GOSISDBHSA-N 2 0 330.472 3.375 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666954086 461886491 /nfs/dbraw/zinc/88/64/91/461886491.db2.gz PJRAWIYQBCDBMD-BBRMVZONSA-N 2 0 335.879 3.097 20 0 EGADRP Cc1ccccc1-n1nccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784842 461893995 /nfs/dbraw/zinc/89/39/95/461893995.db2.gz CXYJVRKFXWYOGC-IBGZPJMESA-N 2 0 338.499 3.392 20 0 EGADRP Cc1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000656786243 461898504 /nfs/dbraw/zinc/89/85/04/461898504.db2.gz QRCZGHPMDAGHEI-LJQANCHMSA-N 2 0 338.499 3.392 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706752 461900032 /nfs/dbraw/zinc/90/00/32/461900032.db2.gz RTNAIRJDAGSAOH-BJLQDIEVSA-N 2 0 332.488 3.192 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650706279 461900068 /nfs/dbraw/zinc/90/00/68/461900068.db2.gz HTMGGAYPOKNGOQ-RLFYNMQTSA-N 2 0 338.879 3.067 20 0 EGADRP COc1ccc2oc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cc2c1 ZINC000650707262 461900192 /nfs/dbraw/zinc/90/01/92/461900192.db2.gz BXMRHCPCIFDJKZ-NBQZKYEYSA-N 2 0 344.455 3.160 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc(-c4ccco4)n3)C2)C1 ZINC000650706158 461900262 /nfs/dbraw/zinc/90/02/62/461900262.db2.gz FMVMQWIBEWWBGE-CKEIUWERSA-N 2 0 347.484 3.121 20 0 EGADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650707045 461900419 /nfs/dbraw/zinc/90/04/19/461900419.db2.gz XLEBBZADGQOPBR-LZWOXQAQSA-N 2 0 337.533 3.159 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000650707352 461901258 /nfs/dbraw/zinc/90/12/58/461901258.db2.gz DHJMQMWYKPVMSL-BZPMIXESSA-N 2 0 348.434 3.485 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000650707444 461902244 /nfs/dbraw/zinc/90/22/44/461902244.db2.gz GKWGUFFICJNBLK-XPKDYRNWSA-N 2 0 349.475 3.154 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000650709208 461902877 /nfs/dbraw/zinc/90/28/77/461902877.db2.gz JOLDMSFSILXLHL-ICSRJNTNSA-N 2 0 325.431 3.449 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000650709905 461903781 /nfs/dbraw/zinc/90/37/81/461903781.db2.gz WTCJHRSLBMRERT-FPOVZHCZSA-N 2 0 337.467 3.221 20 0 EGADRP Cc1cccc2c1C[NH2+]CCN2Cc1ccc(OCC[NH+](C)C)cc1 ZINC000667001073 461907122 /nfs/dbraw/zinc/90/71/22/461907122.db2.gz URCPQDMXKHXSDO-UHFFFAOYSA-N 2 0 339.483 3.045 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000650723855 461916498 /nfs/dbraw/zinc/91/64/98/461916498.db2.gz VAYBZSGZAVZMEW-OIISXLGYSA-N 2 0 340.414 3.149 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977680 461918403 /nfs/dbraw/zinc/91/84/03/461918403.db2.gz FZPHYBMPRNUUSF-SJORKVTESA-N 2 0 347.478 3.174 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000647976299 461919317 /nfs/dbraw/zinc/91/93/17/461919317.db2.gz MRZWJDVUHIKFNH-HZPDHXFCSA-N 2 0 349.906 3.380 20 0 EGADRP c1ccc2sc(N3CC[NH+](CCCC4CC[NH2+]CC4)CC3)nc2c1 ZINC000647988452 461925362 /nfs/dbraw/zinc/92/53/62/461925362.db2.gz KYWBCXMUUBUCEY-UHFFFAOYSA-N 2 0 344.528 3.198 20 0 EGADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000660696177 461927538 /nfs/dbraw/zinc/92/75/38/461927538.db2.gz OLFOEFSWIPIGKM-IBGZPJMESA-N 2 0 330.516 3.179 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH2+]C2(c3ccccc3OC)CC2)cc1 ZINC000647996251 461927625 /nfs/dbraw/zinc/92/76/25/461927625.db2.gz DGZIMNGTCGXCBT-MRXNPFEDSA-N 2 0 326.440 3.025 20 0 EGADRP Cn1ccc([C@H]([NH2+]CCC2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000650762542 461939916 /nfs/dbraw/zinc/93/99/16/461939916.db2.gz DLPPFSYMDXUPSN-GOSISDBHSA-N 2 0 332.879 3.142 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000648035897 461951940 /nfs/dbraw/zinc/95/19/40/461951940.db2.gz UJHFDYHJOYQXBS-QGZVFWFLSA-N 2 0 342.487 3.152 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000648050841 461957759 /nfs/dbraw/zinc/95/77/59/461957759.db2.gz UTAKTJKYKAILPB-NRFANRHFSA-N 2 0 340.467 3.280 20 0 EGADRP Oc1cccc2c(NCC3CC[NH+](C4CCOCC4)CC3)cc[nH+]c12 ZINC000664153154 461960834 /nfs/dbraw/zinc/96/08/34/461960834.db2.gz NIFRYSSTEOKWGZ-UHFFFAOYSA-N 2 0 341.455 3.243 20 0 EGADRP CC(C)([NH3+])CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648167679 461995934 /nfs/dbraw/zinc/99/59/34/461995934.db2.gz LOLYFKNCWIQZMO-RBUKOAKNSA-N 2 0 343.515 3.017 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657298446 462027226 /nfs/dbraw/zinc/02/72/26/462027226.db2.gz UQJZHMGMZRMFFH-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657311068 462036437 /nfs/dbraw/zinc/03/64/37/462036437.db2.gz HJYDSXLLHXDVOJ-ZDUSSCGKSA-N 2 0 332.414 3.183 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000648491775 462146434 /nfs/dbraw/zinc/14/64/34/462146434.db2.gz DEFBPBLVDIUYBJ-WOJBJXKFSA-N 2 0 346.515 3.251 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)COC)cc2)C[C@@H]1C ZINC000667664559 462197382 /nfs/dbraw/zinc/19/73/82/462197382.db2.gz NUPSWQGSNFIXDA-SCTDSRPQSA-N 2 0 334.504 3.405 20 0 EGADRP CC1([NH+]2CCCC2)CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639983393 462204758 /nfs/dbraw/zinc/20/47/58/462204758.db2.gz GOZHFCBMDZEKOO-FQEVSTJZSA-N 2 0 327.516 3.211 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cc[nH]c(=O)c1 ZINC000645191373 462226429 /nfs/dbraw/zinc/22/64/29/462226429.db2.gz VTKWWYOGTQFTAE-MRXNPFEDSA-N 2 0 341.455 3.113 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657833454 462287955 /nfs/dbraw/zinc/28/79/55/462287955.db2.gz AJAJBSVFEDXABN-IBGZPJMESA-N 2 0 337.939 3.278 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc3c2CCC3)c2ccccc2)CC1 ZINC000651663734 462294660 /nfs/dbraw/zinc/29/46/60/462294660.db2.gz TZUWUOXAZMXFLS-QHCPKHFHSA-N 2 0 349.522 3.254 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2ccncc2s1 ZINC000657878359 462306108 /nfs/dbraw/zinc/30/61/08/462306108.db2.gz GYFOKKIWNITYLA-GDBMZVCRSA-N 2 0 333.501 3.184 20 0 EGADRP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000651728229 462317410 /nfs/dbraw/zinc/31/74/10/462317410.db2.gz PSESBYBAGKTPJC-IBGZPJMESA-N 2 0 348.531 3.184 20 0 EGADRP C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000651752819 462325354 /nfs/dbraw/zinc/32/53/54/462325354.db2.gz VQQQFTSVUAKWNR-QFBILLFUSA-N 2 0 331.504 3.036 20 0 EGADRP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000657969339 462332040 /nfs/dbraw/zinc/33/20/40/462332040.db2.gz NDXXRCXXFASHEA-ZRNYENFQSA-N 2 0 328.500 3.168 20 0 EGADRP c1nnn(-c2ccccc2)c1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000645468319 462337806 /nfs/dbraw/zinc/33/78/06/462337806.db2.gz SATMDGXJWPAJIL-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000658092973 462380094 /nfs/dbraw/zinc/38/00/94/462380094.db2.gz SOVIMQTYJRLPPY-YZGWKJHDSA-N 2 0 329.532 3.359 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000665294340 462388818 /nfs/dbraw/zinc/38/88/18/462388818.db2.gz MTDRMAFGDDMXKY-UKRRQHHQSA-N 2 0 346.862 3.110 20 0 EGADRP Cc1ccc([C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C2CCCCC2)cc1 ZINC000665292950 462389319 /nfs/dbraw/zinc/38/93/19/462389319.db2.gz NCFPWBFPJVUCKM-FQEVSTJZSA-N 2 0 340.471 3.361 20 0 EGADRP CCn1cc(C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C(C)C)cn1 ZINC000651959543 462393825 /nfs/dbraw/zinc/39/38/25/462393825.db2.gz QTRJAQMMQLLCOU-UHFFFAOYSA-N 2 0 344.503 3.254 20 0 EGADRP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1OC ZINC000658164914 462414625 /nfs/dbraw/zinc/41/46/25/462414625.db2.gz GQRWPNGFARFROX-UXHICEINSA-N 2 0 345.531 3.477 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+][C@H]3CCCC34CCOCC4)CC2)ccn1 ZINC000658165286 462415045 /nfs/dbraw/zinc/41/50/45/462415045.db2.gz ICZMZXVLDDYFOI-FQEVSTJZSA-N 2 0 343.515 3.233 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C12CCC2 ZINC000658168863 462416373 /nfs/dbraw/zinc/41/63/73/462416373.db2.gz ZTBJYUWGFOATSC-PMACEKPBSA-N 2 0 343.515 3.231 20 0 EGADRP CN(C)C(=O)c1cccc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640532409 462431499 /nfs/dbraw/zinc/43/14/99/462431499.db2.gz ZUAQMXYMTPNGIS-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141003 462446899 /nfs/dbraw/zinc/44/68/99/462446899.db2.gz CCXKGOOEPXSYSK-GDBMZVCRSA-N 2 0 336.476 3.095 20 0 EGADRP CC(C)C[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000652149024 462451539 /nfs/dbraw/zinc/45/15/39/462451539.db2.gz OQQHWLYBZAPBJX-YLJYHZDGSA-N 2 0 335.511 3.386 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CCCCCC1 ZINC000649280428 462465920 /nfs/dbraw/zinc/46/59/20/462465920.db2.gz RJNDUDUAXHYDHI-INIZCTEOSA-N 2 0 337.895 3.111 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000649306165 462474047 /nfs/dbraw/zinc/47/40/47/462474047.db2.gz DKSRBXPDXHJIKI-SFHVURJKSA-N 2 0 345.874 3.108 20 0 EGADRP CC(C)([NH3+])CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000649310783 462476196 /nfs/dbraw/zinc/47/61/96/462476196.db2.gz ASTLOUPPTPRMDO-UHFFFAOYSA-N 2 0 331.504 3.196 20 0 EGADRP Cc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc2[nH+]1 ZINC000649317078 462478357 /nfs/dbraw/zinc/47/83/57/462478357.db2.gz FKINJEDOMLSOHY-HZPDHXFCSA-N 2 0 327.472 3.265 20 0 EGADRP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000645961318 462478975 /nfs/dbraw/zinc/47/89/75/462478975.db2.gz MRPLKKZHRYYWDB-KRWDZBQOSA-N 2 0 349.906 3.082 20 0 EGADRP COc1cccc([C@@H](C)N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649412515 462503450 /nfs/dbraw/zinc/50/34/50/462503450.db2.gz QDEKLPNGBFWJSI-GOSISDBHSA-N 2 0 345.531 3.154 20 0 EGADRP CSc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173952210 534205307 /nfs/dbraw/zinc/20/53/07/534205307.db2.gz YYYNAGARJBPHPB-UHFFFAOYSA-N 2 0 334.529 3.485 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000165997927 527718899 /nfs/dbraw/zinc/71/88/99/527718899.db2.gz WULYBKUZSWBNJV-JXFKEZNVSA-N 2 0 344.503 3.188 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000191523272 528037957 /nfs/dbraw/zinc/03/79/57/528037957.db2.gz YDAHXWXCZXKXFZ-WBVHZDCISA-N 2 0 338.517 3.179 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187088482 528115530 /nfs/dbraw/zinc/11/55/30/528115530.db2.gz QMUWPBLGILYHOB-MRXNPFEDSA-N 2 0 331.504 3.196 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000166863502 528118619 /nfs/dbraw/zinc/11/86/19/528118619.db2.gz QIEBHZHQVAOZKE-ZDUSSCGKSA-N 2 0 328.298 3.444 20 0 EGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154968091 528475679 /nfs/dbraw/zinc/47/56/79/528475679.db2.gz NMOMAWNIDVAAHH-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000187224381 528493516 /nfs/dbraw/zinc/49/35/16/528493516.db2.gz QQFDKOROSLDUFV-TZIWHRDSSA-N 2 0 330.516 3.344 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132305463 528594214 /nfs/dbraw/zinc/59/42/14/528594214.db2.gz OHTVPQSLXQKBQG-XLIONFOSSA-N 2 0 333.520 3.008 20 0 EGADRP CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000132417474 529010811 /nfs/dbraw/zinc/01/08/11/529010811.db2.gz AXMZNZPZCAHECT-NHCUHLMSSA-N 2 0 347.547 3.398 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000154525572 529143633 /nfs/dbraw/zinc/14/36/33/529143633.db2.gz NNTPMAZYCIGFAT-NRFANRHFSA-N 2 0 329.532 3.461 20 0 EGADRP CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+](CC)CC ZINC000344642845 535419686 /nfs/dbraw/zinc/41/96/86/535419686.db2.gz KVPNVFFQPYSQDH-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000353470961 535925728 /nfs/dbraw/zinc/92/57/28/535925728.db2.gz QZUPTBVAVLXDBG-SNRMKQJTSA-N 2 0 329.488 3.245 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073643034 546576766 /nfs/dbraw/zinc/57/67/66/546576766.db2.gz HEMMAJJNTHBFJB-HNNXBMFYSA-N 2 0 326.444 3.285 20 0 EGADRP CN(CCCC[NH+](C)C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081787477 546611063 /nfs/dbraw/zinc/61/10/63/546611063.db2.gz QVUDTCZZCNBBHX-UHFFFAOYSA-N 2 0 326.444 3.239 20 0 EGADRP CCN(CC)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000119059410 546700964 /nfs/dbraw/zinc/70/09/64/546700964.db2.gz CLMWLYRTBNEINZ-UWJYYQICSA-N 2 0 347.547 3.398 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc(N(C)C)nc3)C2)CC1 ZINC000120624207 546716069 /nfs/dbraw/zinc/71/60/69/546716069.db2.gz CMBUSFKJQLLNJC-IBGZPJMESA-N 2 0 330.520 3.092 20 0 EGADRP CC[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000123133949 546738331 /nfs/dbraw/zinc/73/83/31/546738331.db2.gz KFVUCWJIVXSTAK-UTKZUKDTSA-N 2 0 329.532 3.143 20 0 EGADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000129089329 546785147 /nfs/dbraw/zinc/78/51/47/546785147.db2.gz DEUWBQUQOXQLGB-LPHOPBHVSA-N 2 0 333.495 3.423 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134388854 546828950 /nfs/dbraw/zinc/82/89/50/546828950.db2.gz OWAOXGPRBZKTLJ-MLGOLLRUSA-N 2 0 342.314 3.206 20 0 EGADRP CCC[NH+]1CCC(N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)CC1 ZINC000162696510 546966194 /nfs/dbraw/zinc/96/61/94/546966194.db2.gz WZAWCYTYIWLWGN-QGZVFWFLSA-N 2 0 343.475 3.293 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000248166066 547296466 /nfs/dbraw/zinc/29/64/66/547296466.db2.gz SZTPRZXVLIYSJT-YOEHRIQHSA-N 2 0 338.492 3.189 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000339072146 547567623 /nfs/dbraw/zinc/56/76/23/547567623.db2.gz UADYQNWUQYVLLY-KYNGSXCRSA-N 2 0 327.472 3.313 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072814 547567831 /nfs/dbraw/zinc/56/78/31/547567831.db2.gz XZBHJQIAXCMBEK-PMACEKPBSA-N 2 0 345.531 3.124 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000339250081 547573287 /nfs/dbraw/zinc/57/32/87/547573287.db2.gz VRZZVISGNPJCDL-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390529165 547827632 /nfs/dbraw/zinc/82/76/32/547827632.db2.gz KTWZJOFGZDNOJK-XRXFAXGQSA-N 2 0 327.516 3.161 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415961355 547868121 /nfs/dbraw/zinc/86/81/21/547868121.db2.gz DBRHIVLNOMLLNS-LLVKDONJSA-N 2 0 346.397 3.016 20 0 EGADRP C[C@H](C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)CN1CC[NH+](C)CC1 ZINC000474726099 547954598 /nfs/dbraw/zinc/95/45/98/547954598.db2.gz DVTOELUBFLVNHC-NUWOQIAWSA-N 2 0 349.485 3.217 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000675743440 548972696 /nfs/dbraw/zinc/97/26/96/548972696.db2.gz KCNSXPPWWOPYNF-YLJYHZDGSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000675937222 549007095 /nfs/dbraw/zinc/00/70/95/549007095.db2.gz UAALHJXJFLLDCJ-GUDVDZBRSA-N 3 0 343.559 3.463 20 0 EGADRP COc1ccc(COCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000676712497 549133656 /nfs/dbraw/zinc/13/36/56/549133656.db2.gz JPTLXJGSFLZXCG-GHTZIAJQSA-N 2 0 344.499 3.161 20 0 EGADRP CC1(C)C[C@@H](NC[C@H]2CC[NH+](C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677748419 549325218 /nfs/dbraw/zinc/32/52/18/549325218.db2.gz LPWXMXJKYPDGIJ-RTBURBONSA-N 2 0 327.516 3.113 20 0 EGADRP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H]1CCOC1 ZINC000678152126 549411837 /nfs/dbraw/zinc/41/18/37/549411837.db2.gz XIMZANNQJFOGKV-GOSISDBHSA-N 2 0 345.531 3.075 20 0 EGADRP Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)on1 ZINC000678183267 549420252 /nfs/dbraw/zinc/42/02/52/549420252.db2.gz SJVIXVPIHABSRJ-GOSISDBHSA-N 2 0 329.444 3.261 20 0 EGADRP CN(c1ccccc1C[N@H+](CCO)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000678239894 549439017 /nfs/dbraw/zinc/43/90/17/549439017.db2.gz BMHQSNNBWKVDTF-UHFFFAOYSA-N 2 0 347.547 3.057 20 0 EGADRP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCS1 ZINC000678270768 549453457 /nfs/dbraw/zinc/45/34/57/549453457.db2.gz JVJOQYDAHKCHJA-UHFFFAOYSA-N 2 0 334.529 3.489 20 0 EGADRP Clc1ccc2c(c1)nccc2SCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000679312119 549685988 /nfs/dbraw/zinc/68/59/88/549685988.db2.gz QBMDKSWMQDRYFH-BETUJISGSA-N 2 0 333.888 3.132 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000679484147 549717701 /nfs/dbraw/zinc/71/77/01/549717701.db2.gz FZBHIJRNTPMXIZ-LJQANCHMSA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000680483006 549870589 /nfs/dbraw/zinc/87/05/89/549870589.db2.gz AAPXZZGQGRGTHC-UHFFFAOYSA-N 2 0 335.879 3.336 20 0 EGADRP CC[C@@]1([NH2+]Cc2cccc(C[NH2+][C@@]3(CC)CCOC3)c2)CCOC1 ZINC000683044413 550182643 /nfs/dbraw/zinc/18/26/43/550182643.db2.gz FHTSIFAJLOKRDO-BGYRXZFFSA-N 2 0 332.488 3.004 20 0 EGADRP COC1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCC(C)CC1 ZINC000684421376 550328401 /nfs/dbraw/zinc/32/84/01/550328401.db2.gz MBLWHQADINKEIU-UHFFFAOYSA-N 2 0 334.504 3.312 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000685455676 550418341 /nfs/dbraw/zinc/41/83/41/550418341.db2.gz HSCKSPWALXPVDV-YUMYIRISSA-N 2 0 341.543 3.217 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cscc1Cl ZINC000685455873 550418432 /nfs/dbraw/zinc/41/84/32/550418432.db2.gz AFJSFPBAVDMOJB-HNNXBMFYSA-N 2 0 329.941 3.249 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000685457272 550418886 /nfs/dbraw/zinc/41/88/86/550418886.db2.gz RJIPGDOUGDNDTQ-OXQOHEQNSA-N 2 0 333.495 3.030 20 0 EGADRP CC[C@@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457574 550419298 /nfs/dbraw/zinc/41/92/98/550419298.db2.gz FGNCGRMMCMDTHX-RXVVDRJESA-N 2 0 329.532 3.281 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470397 550421181 /nfs/dbraw/zinc/42/11/81/550421181.db2.gz LJCVQAGQYJHYBI-HNAYVOBHSA-N 2 0 346.906 3.357 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470425 550421335 /nfs/dbraw/zinc/42/13/35/550421335.db2.gz QDNWFEIAIFIMOU-CJNGLKHVSA-N 2 0 338.879 3.273 20 0 EGADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC(CO)CC1 ZINC000685468262 550421455 /nfs/dbraw/zinc/42/14/55/550421455.db2.gz FSLOEFYASVSHTM-UHFFFAOYSA-N 2 0 346.515 3.144 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648167 550435806 /nfs/dbraw/zinc/43/58/06/550435806.db2.gz WKOWUHBWAJGHHD-ZOBUZTSGSA-N 2 0 347.532 3.136 20 0 EGADRP CCC[C@@H](C)[N@@H+]1Cc2ccc(NC(=S)NCC[NH+](C)C)cc2C1 ZINC000726496079 574559958 /nfs/dbraw/zinc/55/99/58/574559958.db2.gz SWVBHEFAQGKVOL-CQSZACIVSA-N 2 0 334.533 3.039 20 0 EGADRP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000727932794 574705219 /nfs/dbraw/zinc/70/52/19/574705219.db2.gz BSGVUUUZUKMVOQ-INIZCTEOSA-N 2 0 330.394 3.012 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCCC[NH+]1CCCC1 ZINC000729366844 574846842 /nfs/dbraw/zinc/84/68/42/574846842.db2.gz FJOSHWUROVJAIH-UHFFFAOYSA-N 2 0 345.531 3.363 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000732275756 575252866 /nfs/dbraw/zinc/25/28/66/575252866.db2.gz AWZDINDHPKKHMX-ICSRJNTNSA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000741796695 575438704 /nfs/dbraw/zinc/43/87/04/575438704.db2.gz WSCPPIKUCZEUKA-BBWFWOEESA-N 2 0 339.524 3.048 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383335803 576253967 /nfs/dbraw/zinc/25/39/67/576253967.db2.gz IOXBLZYHQGNBNB-QFBILLFUSA-N 2 0 326.488 3.291 20 0 EGADRP CC(C)(C)OC(=O)NCc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000305890185 1297065343 /nfs/dbraw/zinc/06/53/43/1297065343.db2.gz SGNXBNQVNFHLMM-DLBZAZTESA-N 2 0 333.476 3.071 20 0 EGADRP C[N@H+](CCCOCc1ccccc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687951433 1298121187 /nfs/dbraw/zinc/12/11/87/1298121187.db2.gz PZMTUABQAXLPSG-UHFFFAOYSA-N 2 0 330.497 3.433 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000044132812 1291475237 /nfs/dbraw/zinc/47/52/37/1291475237.db2.gz IIABKWALDNSHBL-SFHVURJKSA-N 2 0 346.544 3.053 20 0 EGADRP c1cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC000069748070 1292249217 /nfs/dbraw/zinc/24/92/17/1292249217.db2.gz HFCISNQPTWNVTR-UHFFFAOYSA-N 2 0 343.540 3.436 20 0 EGADRP CCC1(O)CC[NH+](CCCCCC[NH+]2CCC(O)(CC)CC2)CC1 ZINC000072724591 1292289143 /nfs/dbraw/zinc/28/91/43/1292289143.db2.gz COTLRPBYZXSIJT-UHFFFAOYSA-N 2 0 340.552 3.021 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000073106232 1292306885 /nfs/dbraw/zinc/30/68/85/1292306885.db2.gz YIVPXBHUEYRMGN-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1c([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cnn1C ZINC000075783747 1292410981 /nfs/dbraw/zinc/41/09/81/1292410981.db2.gz NMVLFXCWYOQQAI-INIZCTEOSA-N 2 0 342.487 3.054 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1nc(C)ccc1O ZINC000103342684 1293003394 /nfs/dbraw/zinc/00/33/94/1293003394.db2.gz PHHLFDYRAAAJQW-UHFFFAOYSA-N 2 0 343.471 3.106 20 0 EGADRP Cc1ccc(O)c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000103341274 1293003620 /nfs/dbraw/zinc/00/36/20/1293003620.db2.gz NTRYGJATBNECPI-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000105442119 1293037681 /nfs/dbraw/zinc/03/76/81/1293037681.db2.gz SCCPSHQYRSLNBM-GOSISDBHSA-N 2 0 325.500 3.203 20 0 EGADRP Cc1ncsc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000105494249 1293040892 /nfs/dbraw/zinc/04/08/92/1293040892.db2.gz RYHMBYZJJSDYJT-UHFFFAOYSA-N 2 0 331.485 3.216 20 0 EGADRP CC(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000109068320 1293086772 /nfs/dbraw/zinc/08/67/72/1293086772.db2.gz ATMORPCHHQKTCT-KRWDZBQOSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nc(Br)cs1 ZINC000834756332 1293142970 /nfs/dbraw/zinc/14/29/70/1293142970.db2.gz NLEOHJMZZAKZKO-SNVBAGLBSA-N 2 0 332.311 3.288 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000119137522 1293256508 /nfs/dbraw/zinc/25/65/08/1293256508.db2.gz GOCPZPBOOUUSAU-GFCCVEGCSA-N 2 0 349.828 3.084 20 0 EGADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000120863727 1293342658 /nfs/dbraw/zinc/34/26/58/1293342658.db2.gz STTBISYHYSNAII-JTDSTZFVSA-N 2 0 346.471 3.383 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C1CC[NH+](C)CC1 ZINC000122360410 1293410168 /nfs/dbraw/zinc/41/01/68/1293410168.db2.gz GUTHDPUYTLCDHV-QGZVFWFLSA-N 2 0 344.547 3.041 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000125443672 1293507879 /nfs/dbraw/zinc/50/78/79/1293507879.db2.gz ZWSBINDNPMMZGH-HNNXBMFYSA-N 2 0 330.394 3.449 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cn4ccccc4n3)CC2)CC1 ZINC000131056121 1293677786 /nfs/dbraw/zinc/67/77/86/1293677786.db2.gz FMJRETVRDJWHQR-UHFFFAOYSA-N 2 0 326.488 3.467 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(Cl)s2)ccn1 ZINC000136237726 1293813328 /nfs/dbraw/zinc/81/33/28/1293813328.db2.gz XVCXJOIMFRVJHB-UHFFFAOYSA-N 2 0 325.865 3.027 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C ZINC000136576744 1293818479 /nfs/dbraw/zinc/81/84/79/1293818479.db2.gz FHLFRNHAARZRHD-NHCUHLMSSA-N 2 0 330.516 3.469 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC000158735047 1294213800 /nfs/dbraw/zinc/21/38/00/1294213800.db2.gz IFOYCOKJAHRACK-QGZVFWFLSA-N 2 0 343.515 3.162 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000160186722 1294261218 /nfs/dbraw/zinc/26/12/18/1294261218.db2.gz XYRSQHLYKWRYLP-CALCHBBNSA-N 2 0 340.515 3.496 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000163901201 1294340178 /nfs/dbraw/zinc/34/01/78/1294340178.db2.gz GVVZRWHMCXLCCN-DJIMGWMZSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000164601059 1294351302 /nfs/dbraw/zinc/35/13/02/1294351302.db2.gz WZHNAWYIMLMYDL-AHRSYUTCSA-N 2 0 343.515 3.052 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000165884844 1294359522 /nfs/dbraw/zinc/35/95/22/1294359522.db2.gz AJGZQHFEIIZBSK-IBGZPJMESA-N 2 0 343.515 3.209 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000181401000 1294965973 /nfs/dbraw/zinc/96/59/73/1294965973.db2.gz DAZMZEUSIFWSKV-ZNMIVQPWSA-N 2 0 325.884 3.275 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Br)ccc1O ZINC000184833040 1295223909 /nfs/dbraw/zinc/22/39/09/1295223909.db2.gz AVEBKVHONOLLDX-LLVKDONJSA-N 2 0 329.282 3.393 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Br)ccc1O ZINC000184833025 1295223705 /nfs/dbraw/zinc/22/37/05/1295223705.db2.gz AVEBKVHONOLLDX-NSHDSACASA-N 2 0 329.282 3.393 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c2cccs2)CC1 ZINC000870854199 1296113580 /nfs/dbraw/zinc/11/35/80/1296113580.db2.gz ONSUBSFTSXXXSF-BBWFWOEESA-N 2 0 349.544 3.155 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCCC1)c1ccccc1 ZINC000870886053 1296130676 /nfs/dbraw/zinc/13/06/76/1296130676.db2.gz ZARJQTTXOOJXIX-QRQLOZEOSA-N 2 0 343.515 3.284 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000223969551 1296133311 /nfs/dbraw/zinc/13/33/11/1296133311.db2.gz SVNMKCPHPREBRK-OAGGEKHMSA-N 2 0 327.513 3.094 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnc(C)s2)cc1 ZINC000236884838 1296209871 /nfs/dbraw/zinc/20/98/71/1296209871.db2.gz CEXGJQOTJXTAIS-UHFFFAOYSA-N 2 0 333.501 3.462 20 0 EGADRP COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000237256277 1296231379 /nfs/dbraw/zinc/23/13/79/1296231379.db2.gz AKHRZJWFVGCKSR-KRWDZBQOSA-N 2 0 342.483 3.356 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000237412916 1296241821 /nfs/dbraw/zinc/24/18/21/1296241821.db2.gz OAKUNBMSBQAQTB-IBGZPJMESA-N 2 0 342.458 3.489 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000237608762 1296251235 /nfs/dbraw/zinc/25/12/35/1296251235.db2.gz WICBXIIVEQCSKT-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCCC[NH3+])cc1 ZINC000237683948 1296258329 /nfs/dbraw/zinc/25/83/29/1296258329.db2.gz IESKHIFHKHLFTH-QGZVFWFLSA-N 2 0 331.504 3.196 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000246966190 1296376415 /nfs/dbraw/zinc/37/64/15/1296376415.db2.gz LNSFRDQTOAZJST-IKGGRYGDSA-N 2 0 339.524 3.001 20 0 EGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247560736 1296397177 /nfs/dbraw/zinc/39/71/77/1296397177.db2.gz QSYXDZLRZPPECC-DLBZAZTESA-N 2 0 339.524 3.050 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000248631630 1296422663 /nfs/dbraw/zinc/42/26/63/1296422663.db2.gz IBNFKHUBVKWQSP-BRWVUGGUSA-N 2 0 339.524 3.286 20 0 EGADRP [NH3+][C@H](CCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)CC1CCCCC1 ZINC000871800700 1296542866 /nfs/dbraw/zinc/54/28/66/1296542866.db2.gz QKAOQSLWGYROBI-IFFAKLHKSA-N 2 0 332.492 3.298 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261547215 1296593407 /nfs/dbraw/zinc/59/34/07/1296593407.db2.gz HRTUXZSMUWXCBV-HLAWJBBLSA-N 2 0 329.532 3.409 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261679622 1296598110 /nfs/dbraw/zinc/59/81/10/1296598110.db2.gz AFGFSAOPRPIUCT-UHFFFAOYSA-N 2 0 337.467 3.333 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000261932779 1296609563 /nfs/dbraw/zinc/60/95/63/1296609563.db2.gz CXCMBXGRFWXXFH-UHFFFAOYSA-N 2 0 343.496 3.394 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000262011187 1296614834 /nfs/dbraw/zinc/61/48/34/1296614834.db2.gz UEGVBWNZYRZHHQ-CQSZACIVSA-N 2 0 337.895 3.297 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCCc3cc(OC)c(OC)cc32)C1 ZINC000872025256 1296668319 /nfs/dbraw/zinc/66/83/19/1296668319.db2.gz JEXRTODXQZWVDX-QAPCUYQASA-N 2 0 332.488 3.403 20 0 EGADRP CCCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000305138445 1296986205 /nfs/dbraw/zinc/98/62/05/1296986205.db2.gz LPHURFFABSQJHN-NHCUHLMSSA-N 2 0 346.515 3.333 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000305768493 1297046778 /nfs/dbraw/zinc/04/67/78/1297046778.db2.gz KUWBPPBHHZTTQM-VBNZEHGJSA-N 2 0 330.394 3.059 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308387361 1297069020 /nfs/dbraw/zinc/06/90/20/1297069020.db2.gz FTDZCBPMJWSEKQ-XUVXKRRUSA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310917507 1297103552 /nfs/dbraw/zinc/10/35/52/1297103552.db2.gz QPAQQGWEUZEPJJ-LEWJYISDSA-N 2 0 340.515 3.410 20 0 EGADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000325274334 1297222025 /nfs/dbraw/zinc/22/20/25/1297222025.db2.gz RDLZSNKKBFXJCD-GOSISDBHSA-N 2 0 331.504 3.052 20 0 EGADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000326806537 1297241890 /nfs/dbraw/zinc/24/18/90/1297241890.db2.gz CKGFDNKBBRCMTE-DARKYYSBSA-N 2 0 328.500 3.412 20 0 EGADRP CCCN1CC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350436 1297255352 /nfs/dbraw/zinc/25/53/52/1297255352.db2.gz NGDRUBFAZLGOGZ-CJNGLKHVSA-N 2 0 325.294 3.454 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000873079484 1297262606 /nfs/dbraw/zinc/26/26/06/1297262606.db2.gz FWVMGDXNWHPOGP-NHCUHLMSSA-N 2 0 339.483 3.092 20 0 EGADRP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(OC)c(OC)c1 ZINC000873200344 1297346113 /nfs/dbraw/zinc/34/61/13/1297346113.db2.gz DWZNIYKYZBIJMP-UHFFFAOYSA-N 2 0 346.496 3.433 20 0 EGADRP Fc1cccc([C@@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873204660 1297349542 /nfs/dbraw/zinc/34/95/42/1297349542.db2.gz HWQNSQWITBUULG-KRWDZBQOSA-N 2 0 332.444 3.106 20 0 EGADRP c1nc([C@H]2CCCO2)sc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232999 1297375464 /nfs/dbraw/zinc/37/54/64/1297375464.db2.gz VQORIZJZONKIMW-CVEARBPZSA-N 2 0 335.517 3.397 20 0 EGADRP COC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1F ZINC000873260501 1297395367 /nfs/dbraw/zinc/39/53/67/1297395367.db2.gz BTHKUIWTRKTFRG-ZWUHOBOKSA-N 2 0 326.843 3.287 20 0 EGADRP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc(Br)c1 ZINC000873274025 1297404887 /nfs/dbraw/zinc/40/48/87/1297404887.db2.gz QTEASTUCGNLEQU-DOMZBBRYSA-N 2 0 329.282 3.244 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(N)cc(F)c1 ZINC000873287424 1297409242 /nfs/dbraw/zinc/40/92/42/1297409242.db2.gz DWODSRKVVNEFCS-QRWLVFNGSA-N 2 0 327.447 3.408 20 0 EGADRP C[C@H]([NH2+]Cc1cc(N)cc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873288816 1297410686 /nfs/dbraw/zinc/41/06/86/1297410686.db2.gz MALHFPZEFGDZBU-MAUKXSAKSA-N 2 0 327.447 3.408 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC(F)F)cc1 ZINC000873289358 1297410824 /nfs/dbraw/zinc/41/08/24/1297410824.db2.gz IAARVIOGNFKZNX-CZUORRHYSA-N 2 0 340.414 3.097 20 0 EGADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293455 1297416192 /nfs/dbraw/zinc/41/61/92/1297416192.db2.gz MWNGBACGEFZNLM-DOTOQJQBSA-N 2 0 334.529 3.088 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378902192 1297526275 /nfs/dbraw/zinc/52/62/75/1297526275.db2.gz CNXVWAVCGBXJNM-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000392071855 1297650169 /nfs/dbraw/zinc/65/01/69/1297650169.db2.gz WCXGMOQUFIOHTL-XKGZKEIXSA-N 2 0 332.488 3.235 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399077359 1297723792 /nfs/dbraw/zinc/72/37/92/1297723792.db2.gz OKOAPFZUKYHZOT-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ncccc1Br)CC2 ZINC000691893556 1298139530 /nfs/dbraw/zinc/13/95/30/1298139530.db2.gz XIIAWYDEAQWBIF-UHFFFAOYSA-N 2 0 338.293 3.152 20 0 EGADRP COc1cncc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000700062432 1298174919 /nfs/dbraw/zinc/17/49/19/1298174919.db2.gz ZBNSODSVXHWPFR-FQEVSTJZSA-N 2 0 325.456 3.092 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700804793 1298180203 /nfs/dbraw/zinc/18/02/03/1298180203.db2.gz RFQSSEQEKHUTBR-IAGOWNOFSA-N 2 0 341.540 3.391 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000709716837 1298251465 /nfs/dbraw/zinc/25/14/65/1298251465.db2.gz UQZPZJZPHRCFNQ-WCXIOVBPSA-N 2 0 339.524 3.285 20 0 EGADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857192224 1328524441 /nfs/dbraw/zinc/52/44/41/1328524441.db2.gz FCVAICOPVSNXOZ-VQTJNVASSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1cc(CNC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)cc(C)n1 ZINC000876927325 1299070795 /nfs/dbraw/zinc/07/07/95/1299070795.db2.gz YTNUBBXZOSYACI-OAHLLOKOSA-N 2 0 337.345 3.033 20 0 EGADRP [NH3+][C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1cccc(C(F)(F)F)c1 ZINC000877138535 1299177656 /nfs/dbraw/zinc/17/76/56/1299177656.db2.gz MACPXMPTMGGOAE-XHSDSOJGSA-N 2 0 349.356 3.159 20 0 EGADRP c1ccc([C@H]2C[C@@H](NCC[NH+]3CCCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877145584 1299181022 /nfs/dbraw/zinc/18/10/22/1299181022.db2.gz MCYOZVPENMIMSP-PZJWPPBQSA-N 2 0 327.516 3.430 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000877447418 1299306269 /nfs/dbraw/zinc/30/62/69/1299306269.db2.gz YODYZNCFGQKHEX-YRNRMSPPSA-N 2 0 343.515 3.466 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000877447229 1299307084 /nfs/dbraw/zinc/30/70/84/1299307084.db2.gz BJYBZJSNUGZAIQ-LFGUQSLTSA-N 2 0 349.563 3.158 20 0 EGADRP COc1cc(F)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1OC ZINC000877684467 1299477506 /nfs/dbraw/zinc/47/75/06/1299477506.db2.gz VOSNTHQOAAPZDC-UHFFFAOYSA-N 2 0 336.451 3.151 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH+](C)CC3)CC2)o1 ZINC000877684911 1299477778 /nfs/dbraw/zinc/47/77/78/1299477778.db2.gz CPSVFANSELGWCZ-UHFFFAOYSA-N 2 0 328.460 3.286 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)CCO2 ZINC000878769265 1300183548 /nfs/dbraw/zinc/18/35/48/1300183548.db2.gz NQJUPSMIQJNOEF-WOJBJXKFSA-N 2 0 344.499 3.093 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)c1c(F)cccc1F ZINC000880517020 1301145967 /nfs/dbraw/zinc/14/59/67/1301145967.db2.gz IFCCHJQHXIQJRN-KRWDZBQOSA-N 2 0 326.431 3.196 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2N2CCCCC2)CCCO1 ZINC000762485054 1301688628 /nfs/dbraw/zinc/68/86/28/1301688628.db2.gz YDFYQHMJVZLLOT-LJQANCHMSA-N 2 0 345.531 3.267 20 0 EGADRP c1ccc2c(c1)CCN2CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000765416618 1302262544 /nfs/dbraw/zinc/26/25/44/1302262544.db2.gz OKWFZUOQLOXZJI-UHFFFAOYSA-N 2 0 327.516 3.436 20 0 EGADRP COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768783399 1302977384 /nfs/dbraw/zinc/97/73/84/1302977384.db2.gz SIUHBVITQBSAEV-UHFFFAOYSA-N 2 0 326.440 3.167 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000886489300 1303475103 /nfs/dbraw/zinc/47/51/03/1303475103.db2.gz FSTMJXCXHKRXQC-OHTSDLOESA-N 2 0 330.472 3.213 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000773070455 1303618070 /nfs/dbraw/zinc/61/80/70/1303618070.db2.gz PXAYCDQXXAMBEB-BEVDRBHNSA-N 2 0 332.488 3.114 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)Cc1ccccc1 ZINC000775367078 1303947240 /nfs/dbraw/zinc/94/72/40/1303947240.db2.gz VUVMKAZUSDLENF-KURKYZTESA-N 2 0 336.570 3.478 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)ccc1OC ZINC000775385853 1303952555 /nfs/dbraw/zinc/95/25/55/1303952555.db2.gz AMJIXBZHOADYAK-FOIQADDNSA-N 2 0 334.504 3.349 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000775622866 1303996589 /nfs/dbraw/zinc/99/65/89/1303996589.db2.gz JQYPQQMEIIRLDT-QGZVFWFLSA-N 2 0 328.504 3.236 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000776255022 1304121824 /nfs/dbraw/zinc/12/18/24/1304121824.db2.gz UFWFLHOBTRJHMM-UHFFFAOYSA-N 2 0 333.863 3.355 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000776582386 1304174522 /nfs/dbraw/zinc/17/45/22/1304174522.db2.gz TXGAJTQITWMDSB-UHFFFAOYSA-N 2 0 332.488 3.172 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000780746969 1304733602 /nfs/dbraw/zinc/73/36/02/1304733602.db2.gz SWVVWWUWKVHLGT-CABCVRRESA-N 2 0 346.462 3.065 20 0 EGADRP CCOC(=O)c1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000892583795 1305453738 /nfs/dbraw/zinc/45/37/38/1305453738.db2.gz FJLGEHQASXQIAE-AWEZNQCLSA-N 2 0 339.505 3.064 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000892945239 1305619268 /nfs/dbraw/zinc/61/92/68/1305619268.db2.gz ZLYPUJLKWBWRPX-SFHVURJKSA-N 2 0 334.504 3.060 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000892951455 1305623672 /nfs/dbraw/zinc/62/36/72/1305623672.db2.gz OABHCINKPZBBGN-FQEVSTJZSA-N 2 0 345.531 3.003 20 0 EGADRP COc1ccccc1COC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000893436790 1305895835 /nfs/dbraw/zinc/89/58/35/1305895835.db2.gz NATBNVPAOGCYFR-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C\c3cccc(F)c3)CC2)CC1 ZINC000894459198 1308901070 /nfs/dbraw/zinc/90/10/70/1308901070.db2.gz GKSKJOFEWGMQTF-XQRVVYSFSA-N 2 0 345.506 3.188 20 0 EGADRP c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC000791621235 1309035265 /nfs/dbraw/zinc/03/52/65/1309035265.db2.gz UYIBGDGJEZCFNF-SZPZYZBQSA-N 2 0 334.463 3.281 20 0 EGADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000895378553 1309306788 /nfs/dbraw/zinc/30/67/88/1309306788.db2.gz QZQMGIRLNJSSEQ-APWZRJJASA-N 2 0 343.515 3.148 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000895659973 1309453164 /nfs/dbraw/zinc/45/31/64/1309453164.db2.gz GILBQTHRQIVQME-INIZCTEOSA-N 2 0 331.287 3.348 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000896870759 1310060117 /nfs/dbraw/zinc/06/01/17/1310060117.db2.gz MDUCEOWBYAFWEZ-NEWSRXKRSA-N 2 0 343.515 3.029 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000796709529 1310069209 /nfs/dbraw/zinc/06/92/09/1310069209.db2.gz LFTUPDBYGDQMAC-OOHWJJMZSA-N 2 0 331.460 3.167 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897065890 1310162904 /nfs/dbraw/zinc/16/29/04/1310162904.db2.gz WTUANFFIFZOOTG-SFHVURJKSA-N 2 0 329.488 3.402 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000797966914 1310277126 /nfs/dbraw/zinc/27/71/26/1310277126.db2.gz WBVNVPARTPHMKA-UHFFFAOYSA-N 2 0 327.513 3.050 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)cnc21 ZINC000798957472 1310462746 /nfs/dbraw/zinc/46/27/46/1310462746.db2.gz XWQNBOQTUAWWOR-UHFFFAOYSA-N 2 0 341.503 3.320 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000819102599 1319636849 /nfs/dbraw/zinc/63/68/49/1319636849.db2.gz MQUGVTBCCMDZGY-SWLSCSKDSA-N 2 0 332.410 3.305 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000839480675 1320927102 /nfs/dbraw/zinc/92/71/02/1320927102.db2.gz LNRJGWYHPRHOCF-FQEVSTJZSA-N 2 0 344.499 3.400 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018938495 1316980866 /nfs/dbraw/zinc/98/08/66/1316980866.db2.gz QYXVQOUPZYVBNF-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018938671 1316980913 /nfs/dbraw/zinc/98/09/13/1316980913.db2.gz XKONFROGQIJTLH-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019189472 1317092969 /nfs/dbraw/zinc/09/29/69/1317092969.db2.gz MZZYWPKMUPSOGJ-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000957325201 1317285484 /nfs/dbraw/zinc/28/54/84/1317285484.db2.gz IZCTZDHKUNEYKA-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001019593122 1317299582 /nfs/dbraw/zinc/29/95/82/1317299582.db2.gz JZPXDSXWHQUPRK-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCC(C)CC3)C2)CC1 ZINC001019593372 1317299797 /nfs/dbraw/zinc/29/97/97/1317299797.db2.gz WSYSSDJKXPIAQJ-QLOJAFMTSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019632200 1317311233 /nfs/dbraw/zinc/31/12/33/1317311233.db2.gz DTMCYVIVYVBAFO-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001019823575 1317439755 /nfs/dbraw/zinc/43/97/55/1317439755.db2.gz LJWXKICWBSVFJP-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957563582 1317460497 /nfs/dbraw/zinc/46/04/97/1317460497.db2.gz LCEOGDSSYYGISM-IBGZPJMESA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593064 1317483521 /nfs/dbraw/zinc/48/35/21/1317483521.db2.gz JAPDKZDMMXBQDG-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC)CC2 ZINC000957631686 1317506619 /nfs/dbraw/zinc/50/66/19/1317506619.db2.gz PKSRDRDORJMNOM-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001020029275 1317508248 /nfs/dbraw/zinc/50/82/48/1317508248.db2.gz ZZLRKAQZRXEJFE-LKIAZTKLSA-N 2 0 349.563 3.170 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000902318804 1317562268 /nfs/dbraw/zinc/56/22/68/1317562268.db2.gz JJSKXBMXMLLDRM-LSDHHAIUSA-N 2 0 337.458 3.159 20 0 EGADRP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+]CC(C)(C)C3)C2)c1 ZINC000902327109 1317564069 /nfs/dbraw/zinc/56/40/69/1317564069.db2.gz DSQCFOPMHOLQSK-IRXDYDNUSA-N 2 0 331.504 3.032 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(O[C@@H]2CCOC2)c1 ZINC000902344770 1317566670 /nfs/dbraw/zinc/56/66/70/1317566670.db2.gz FUTLAYJAYMEELI-ZWKOTPCHSA-N 2 0 332.488 3.031 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902347711 1317566886 /nfs/dbraw/zinc/56/68/86/1317566886.db2.gz JMTGHYOIIMTNMZ-GOSISDBHSA-N 2 0 326.488 3.357 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000902360041 1317568436 /nfs/dbraw/zinc/56/84/36/1317568436.db2.gz IWZDLYOAVXETJW-LJQANCHMSA-N 2 0 346.515 3.250 20 0 EGADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000902436996 1317579222 /nfs/dbraw/zinc/57/92/22/1317579222.db2.gz GDNSUWFSSKESBM-DKQPQCJKSA-N 2 0 347.506 3.396 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020238772 1317603746 /nfs/dbraw/zinc/60/37/46/1317603746.db2.gz BTLRUFJQPXRFOO-VAMGGRTRSA-N 2 0 347.547 3.377 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001020238742 1317604397 /nfs/dbraw/zinc/60/43/97/1317604397.db2.gz ASWBZCYVQNPBDF-BJLQDIEVSA-N 2 0 345.531 3.131 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000957763285 1317629691 /nfs/dbraw/zinc/62/96/91/1317629691.db2.gz MAMARCVHFNUZFL-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001020297752 1317633262 /nfs/dbraw/zinc/63/32/62/1317633262.db2.gz YFTGCPXSFSHQQU-BNEJOLLZSA-N 2 0 349.906 3.122 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CCC2(C)C)CC1 ZINC000808170336 1317637350 /nfs/dbraw/zinc/63/73/50/1317637350.db2.gz CYGVJRZBLVYYAP-QGZVFWFLSA-N 2 0 335.536 3.321 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc([S@](C)=O)cc1 ZINC000903127955 1317659412 /nfs/dbraw/zinc/65/94/12/1317659412.db2.gz PBQIYELDWJSUPQ-NXHISRGASA-N 2 0 332.513 3.232 20 0 EGADRP c1cc([C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)ccn1 ZINC000903186449 1317669953 /nfs/dbraw/zinc/66/99/53/1317669953.db2.gz KRDLZOGNOPBQLU-AEOXZHQRSA-N 2 0 327.472 3.049 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000903255072 1317681609 /nfs/dbraw/zinc/68/16/09/1317681609.db2.gz WJXRAPNPMMFPGT-LVDPKSTMSA-N 2 0 334.426 3.483 20 0 EGADRP Cc1ncccc1CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000903414740 1317698247 /nfs/dbraw/zinc/69/82/47/1317698247.db2.gz DGJLZDAALRJTBP-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP Cc1c(Cl)ccc2c1C[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903782088 1317732737 /nfs/dbraw/zinc/73/27/37/1317732737.db2.gz YSDKEMJAYUSUQA-INIZCTEOSA-N 2 0 334.891 3.165 20 0 EGADRP C(=C/[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)\c1ccccc1 ZINC000903788457 1317734467 /nfs/dbraw/zinc/73/44/67/1317734467.db2.gz LJFQPZBPEBVYAB-LTPVEEIWSA-N 2 0 326.484 3.323 20 0 EGADRP [NH3+]CC1([C@H]2CCCCN2Cc2nc(-c3cccs3)no2)CCC1 ZINC000903814662 1317736900 /nfs/dbraw/zinc/73/69/00/1317736900.db2.gz OKLIWKKBSSSXDH-CQSZACIVSA-N 2 0 332.473 3.282 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000903959558 1317756164 /nfs/dbraw/zinc/75/61/64/1317756164.db2.gz JQCQFBNZGHFBNW-HXUWFJFHSA-N 2 0 332.488 3.197 20 0 EGADRP FC1(F)C[C@@]2(CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)C1(F)F ZINC000903978949 1317761033 /nfs/dbraw/zinc/76/10/33/1317761033.db2.gz PIVAFODJCJRBSS-CYBMUJFWSA-N 2 0 334.382 3.260 20 0 EGADRP Fc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1C(F)F ZINC000904381454 1317840391 /nfs/dbraw/zinc/84/03/91/1317840391.db2.gz POJIKWXUFDLTGG-OAHLLOKOSA-N 2 0 342.405 3.354 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000809605337 1317842518 /nfs/dbraw/zinc/84/25/18/1317842518.db2.gz BETBHQFEJCWSKZ-KLAILNCOSA-N 2 0 339.524 3.286 20 0 EGADRP Cc1ccc(F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475712 1317851936 /nfs/dbraw/zinc/85/19/36/1317851936.db2.gz QBQPHRXSAZTKNO-AZUAARDMSA-N 2 0 326.415 3.480 20 0 EGADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccccc1C[NH3+])[NH+](C)C ZINC000904639808 1317874648 /nfs/dbraw/zinc/87/46/48/1317874648.db2.gz WLRDFBQMMMPNCH-DNVCBOLYSA-N 2 0 340.471 3.267 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccccc1C[NH3+] ZINC000904665355 1317879701 /nfs/dbraw/zinc/87/97/01/1317879701.db2.gz MOQAUJPPFAJWQJ-UHFFFAOYSA-N 2 0 340.471 3.309 20 0 EGADRP Cn1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(-c2ccncc2)n1 ZINC000809739026 1317884647 /nfs/dbraw/zinc/88/46/47/1317884647.db2.gz URWHHAKETONGOG-UHFFFAOYSA-N 2 0 349.482 3.176 20 0 EGADRP COCCOc1ccccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738837 1317885199 /nfs/dbraw/zinc/88/51/99/1317885199.db2.gz MCGMYWKHTBPUBM-UHFFFAOYSA-N 2 0 342.483 3.405 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001021049687 1318060277 /nfs/dbraw/zinc/06/02/77/1318060277.db2.gz QQBPTJGRGVVWAS-XWPNQZOQSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C(C)(C)C)CC3)C2)C1 ZINC001021044461 1318060421 /nfs/dbraw/zinc/06/04/21/1318060421.db2.gz NZIXQQXKDIJRNL-QLBHFUSHSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001021400506 1318233511 /nfs/dbraw/zinc/23/35/11/1318233511.db2.gz XIRKNPZKBUFZAK-VOBGVNJCSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCCC2)C1 ZINC001021460732 1318265628 /nfs/dbraw/zinc/26/56/28/1318265628.db2.gz HEQVUJBVHFVJDM-UMQXSMKFSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000959924740 1318267881 /nfs/dbraw/zinc/26/78/81/1318267881.db2.gz IYWCIZYLNYRMBW-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC000960156097 1318389529 /nfs/dbraw/zinc/38/95/29/1318389529.db2.gz KTVDUTXOCXWPPE-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC000960156423 1318389539 /nfs/dbraw/zinc/38/95/39/1318389539.db2.gz MAKLLQNZJHJJSW-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021703937 1318576580 /nfs/dbraw/zinc/57/65/80/1318576580.db2.gz CXAGATXGOBSYAH-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCSc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000930061132 1328775101 /nfs/dbraw/zinc/77/51/01/1328775101.db2.gz QOEMQPDOCSYKMM-RCCFBDPRSA-N 2 0 334.529 3.482 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](CC)C[C@@H]2C)cc1 ZINC000910285564 1318597810 /nfs/dbraw/zinc/59/78/10/1318597810.db2.gz RTKNKJQYDOBMSP-SFHVURJKSA-N 2 0 345.531 3.475 20 0 EGADRP CCSc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000930061130 1328775565 /nfs/dbraw/zinc/77/55/65/1328775565.db2.gz QOEMQPDOCSYKMM-KZNAEPCWSA-N 2 0 334.529 3.482 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000960642141 1318760358 /nfs/dbraw/zinc/76/03/58/1318760358.db2.gz PMFHCWVDDCVVIQ-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)c1ccccc1 ZINC001022069667 1318786928 /nfs/dbraw/zinc/78/69/28/1318786928.db2.gz NJKUSQWBXUAARB-ZGXWSNOMSA-N 2 0 343.515 3.247 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022070277 1318788544 /nfs/dbraw/zinc/78/85/44/1318788544.db2.gz UMMOVNAWDRHVPN-CEXWTWQISA-N 2 0 335.536 3.066 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C)CC1CCCCC1 ZINC000960686929 1318793046 /nfs/dbraw/zinc/79/30/46/1318793046.db2.gz ZEGAHXSODIGIEF-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022163942 1318825040 /nfs/dbraw/zinc/82/50/40/1318825040.db2.gz CHWZVLPXVHSVLZ-CEXWTWQISA-N 2 0 335.536 3.068 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001022341873 1318900914 /nfs/dbraw/zinc/90/09/14/1318900914.db2.gz PPWMZDRQWQSIJH-JCGIZDLHSA-N 2 0 348.450 3.254 20 0 EGADRP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)cc1 ZINC001022340505 1318901290 /nfs/dbraw/zinc/90/12/90/1318901290.db2.gz CJZQCTSLCUSDTM-HDICACEKSA-N 2 0 348.450 3.002 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001022434235 1318938394 /nfs/dbraw/zinc/93/83/94/1318938394.db2.gz BETCBTAATHMOIN-ZYSHUDEJSA-N 2 0 348.450 3.254 20 0 EGADRP CCc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)c1 ZINC000960885685 1319023354 /nfs/dbraw/zinc/02/33/54/1319023354.db2.gz VGIOSLQPXOGGKU-PMACEKPBSA-N 2 0 345.531 3.012 20 0 EGADRP C[C@@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)n1ccnc1 ZINC000960905034 1319045443 /nfs/dbraw/zinc/04/54/43/1319045443.db2.gz UUJNNUMVEAMIHE-WMZOPIPTSA-N 2 0 346.519 3.193 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)cc1 ZINC001022856178 1319139007 /nfs/dbraw/zinc/13/90/07/1319139007.db2.gz XQJLVBXFARZGGX-BGYRXZFFSA-N 2 0 341.499 3.099 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CC2)o1 ZINC000961051925 1319173973 /nfs/dbraw/zinc/17/39/73/1319173973.db2.gz XZSITMSXZCXDGX-KRWDZBQOSA-N 2 0 347.503 3.068 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001023130240 1319275395 /nfs/dbraw/zinc/27/53/95/1319275395.db2.gz GAESUBCBNWXKPA-KDURUIRLSA-N 2 0 341.499 3.099 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281770 1319438187 /nfs/dbraw/zinc/43/81/87/1319438187.db2.gz IDKJCWWENKKCBA-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)c2ccccc2OC)CC[NH2+]CC1 ZINC000817901089 1319455172 /nfs/dbraw/zinc/45/51/72/1319455172.db2.gz YWHFPYXKPOETSA-NVXWUHKLSA-N 2 0 348.487 3.057 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000817915867 1319460048 /nfs/dbraw/zinc/46/00/48/1319460048.db2.gz AFQSLSNFYLDZRY-MISYRCLQSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922390 1319461593 /nfs/dbraw/zinc/46/15/93/1319461593.db2.gz DQAKYIDDCZCGKI-KBCPNONKSA-N 2 0 338.495 3.365 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922392 1319461817 /nfs/dbraw/zinc/46/18/17/1319461817.db2.gz DQAKYIDDCZCGKI-SWYDAUSRSA-N 2 0 338.495 3.365 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(OC)c(OC)c1 ZINC000817946965 1319471785 /nfs/dbraw/zinc/47/17/85/1319471785.db2.gz IUTPQZKAIOISMQ-SFHVURJKSA-N 2 0 328.456 3.446 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)ccc1OC ZINC000817947079 1319473744 /nfs/dbraw/zinc/47/37/44/1319473744.db2.gz JMURRGFMPCWKQP-VNCLNFNDSA-N 3 0 333.520 3.458 20 0 EGADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817964868 1319479520 /nfs/dbraw/zinc/47/95/20/1319479520.db2.gz LSJWBYCWQSPTCM-JKSUJKDBSA-N 2 0 339.524 3.144 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)ccc1OC ZINC000817968445 1319480953 /nfs/dbraw/zinc/48/09/53/1319480953.db2.gz UIUHWQBVQVQVFN-MRXNPFEDSA-N 3 0 331.504 3.107 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817969697 1319481292 /nfs/dbraw/zinc/48/12/92/1319481292.db2.gz YBOMEWCXJHROOX-YLJYHZDGSA-N 3 0 345.531 3.474 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817975346 1319482172 /nfs/dbraw/zinc/48/21/72/1319482172.db2.gz LHGDOXMLSJJQRS-ULQDDVLXSA-N 2 0 345.487 3.449 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023395630 1319503616 /nfs/dbraw/zinc/50/36/16/1319503616.db2.gz IWTAQNFDSNMHDC-MRXNPFEDSA-N 2 0 349.544 3.052 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414260 1319518463 /nfs/dbraw/zinc/51/84/63/1319518463.db2.gz PAIGJXDMBZHGGO-AZUAARDMSA-N 2 0 347.547 3.188 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000818330583 1319527468 /nfs/dbraw/zinc/52/74/68/1319527468.db2.gz SABVLBVLRSNPKQ-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000818942519 1319583398 /nfs/dbraw/zinc/58/33/98/1319583398.db2.gz FTSOJKCZMNRNML-FQEVSTJZSA-N 2 0 328.431 3.245 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000818952998 1319587179 /nfs/dbraw/zinc/58/71/79/1319587179.db2.gz FQOHJSHKPCJQDU-SFHVURJKSA-N 2 0 336.838 3.364 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000818954417 1319587611 /nfs/dbraw/zinc/58/76/11/1319587611.db2.gz VKNFSVYVLOAJSZ-GOSISDBHSA-N 2 0 336.838 3.364 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000819101817 1319634543 /nfs/dbraw/zinc/63/45/43/1319634543.db2.gz FHARGTZZQAZVQI-SWLSCSKDSA-N 2 0 343.309 3.048 20 0 EGADRP CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552729 1319662927 /nfs/dbraw/zinc/66/29/27/1319662927.db2.gz MCDCTTPCGKAGBC-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)[NH+]1CCCCC1 ZINC000819231209 1319675473 /nfs/dbraw/zinc/67/54/73/1319675473.db2.gz REGATKKZZJYSJF-GUYCJALGSA-N 2 0 328.859 3.367 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000819275178 1319686811 /nfs/dbraw/zinc/68/68/11/1319686811.db2.gz RPSAUPZAIGBWNM-XLIONFOSSA-N 2 0 344.886 3.485 20 0 EGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(-n2cnnc2)c1 ZINC000820805482 1319955971 /nfs/dbraw/zinc/95/59/71/1319955971.db2.gz KHCJNFXKLKWTOM-AWEZNQCLSA-N 2 0 327.476 3.227 20 0 EGADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000820810143 1319959189 /nfs/dbraw/zinc/95/91/89/1319959189.db2.gz PQSJBIOTRSRWCS-UYAOXDASSA-N 2 0 341.499 3.097 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000820828825 1319963159 /nfs/dbraw/zinc/96/31/59/1319963159.db2.gz BYCIDACBUCQOMW-VQIMIIECSA-N 2 0 332.488 3.475 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC000821982247 1320045325 /nfs/dbraw/zinc/04/53/25/1320045325.db2.gz IJVGIKOEXKAXKS-MRXNPFEDSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000822919821 1320136984 /nfs/dbraw/zinc/13/69/84/1320136984.db2.gz KWRCIKJNXUMGGP-CRAIPNDOSA-N 2 0 340.471 3.434 20 0 EGADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cc(F)cc(Cl)c1 ZINC000839062292 1320861316 /nfs/dbraw/zinc/86/13/16/1320861316.db2.gz AWZIORGSOZWMQQ-GOSISDBHSA-N 2 0 349.837 3.166 20 0 EGADRP CCC[NH+]1CCC(Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000840920366 1321178122 /nfs/dbraw/zinc/17/81/22/1321178122.db2.gz IPPVYJYZVGAXPB-UHFFFAOYSA-N 2 0 330.520 3.115 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000841029170 1321203551 /nfs/dbraw/zinc/20/35/51/1321203551.db2.gz VEBXTAZQNUCEPK-GOEBONIOSA-N 2 0 346.462 3.256 20 0 EGADRP CC(C)[C@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[C@H](C)[NH3+] ZINC000841823790 1321319758 /nfs/dbraw/zinc/31/97/58/1321319758.db2.gz PWOYUWLSSXVJHX-YOEHRIQHSA-N 2 0 328.460 3.419 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc(=O)oc2c1C ZINC000842472681 1321393481 /nfs/dbraw/zinc/39/34/81/1321393481.db2.gz ISRIDKYALMJEJP-IBGZPJMESA-N 2 0 340.467 3.374 20 0 EGADRP O[C@@H](C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1cccs1 ZINC000842472774 1321393674 /nfs/dbraw/zinc/39/36/74/1321393674.db2.gz KJDISXYCGKBYDV-AEFFLSMTSA-N 2 0 330.497 3.283 20 0 EGADRP Cc1ccc(OCc2nc(C[NH2+]C3CCC([NH3+])CC3)cs2)cc1 ZINC000843105542 1321470954 /nfs/dbraw/zinc/47/09/54/1321470954.db2.gz VNWAPMQGDDNRSS-UHFFFAOYSA-N 2 0 331.485 3.390 20 0 EGADRP C[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843353791 1321505461 /nfs/dbraw/zinc/50/54/61/1321505461.db2.gz JMRNVZGOCHVDQP-UHFFFAOYSA-N 2 0 331.504 3.015 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843387850 1321509170 /nfs/dbraw/zinc/50/91/70/1321509170.db2.gz JJROWOHECYVSFF-DLBZAZTESA-N 2 0 340.467 3.177 20 0 EGADRP C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846220006 1321777578 /nfs/dbraw/zinc/77/75/78/1321777578.db2.gz INQFUBRCCJTLTJ-MRXNPFEDSA-N 2 0 346.544 3.494 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000846225047 1321777678 /nfs/dbraw/zinc/77/76/78/1321777678.db2.gz FQJPUBKLNBUQEQ-OAHLLOKOSA-N 2 0 325.456 3.228 20 0 EGADRP C[C@@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000846592448 1321794731 /nfs/dbraw/zinc/79/47/31/1321794731.db2.gz RIHULCIGQZVXAL-OAQYLSRUSA-N 2 0 343.515 3.033 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000848998480 1322057619 /nfs/dbraw/zinc/05/76/19/1322057619.db2.gz MCCHPRHDHKHKQR-GOSISDBHSA-N 2 0 346.519 3.006 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=[NH2+])NCc1ccccc1OC)CC(C)C ZINC000849054367 1322060825 /nfs/dbraw/zinc/06/08/25/1322060825.db2.gz IJBRUAOEMZMNSA-KRWDZBQOSA-N 2 0 334.508 3.066 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000849056009 1322060927 /nfs/dbraw/zinc/06/09/27/1322060927.db2.gz QSNNTFXVVPJPRX-FQEVSTJZSA-N 2 0 336.483 3.446 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)C1 ZINC000849058478 1322061961 /nfs/dbraw/zinc/06/19/61/1322061961.db2.gz GXLFWZWAHAXSAI-QGZVFWFLSA-N 2 0 328.504 3.429 20 0 EGADRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000849058047 1322062289 /nfs/dbraw/zinc/06/22/89/1322062289.db2.gz DEQVCFSKBKXCDH-KRWDZBQOSA-N 2 0 348.491 3.151 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000849063558 1322062742 /nfs/dbraw/zinc/06/27/42/1322062742.db2.gz JOQUDPGTXGYSOC-OAHLLOKOSA-N 2 0 348.491 3.151 20 0 EGADRP CCCCCCNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000849071402 1322066356 /nfs/dbraw/zinc/06/63/56/1322066356.db2.gz QRBYTXQEKUURFV-UHFFFAOYSA-N 2 0 326.554 3.042 20 0 EGADRP CC(C)C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000849090299 1322074217 /nfs/dbraw/zinc/07/42/17/1322074217.db2.gz BPFOEKUOSSBLDM-HNNXBMFYSA-N 2 0 344.425 3.296 20 0 EGADRP C[N@H+](CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000849099733 1322078067 /nfs/dbraw/zinc/07/80/67/1322078067.db2.gz JFTYRCNSMAWZOZ-UHFFFAOYSA-N 2 0 342.409 3.194 20 0 EGADRP CC(C)C1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000849107517 1322081131 /nfs/dbraw/zinc/08/11/31/1322081131.db2.gz UKZOMIIZWCACLK-UHFFFAOYSA-N 2 0 328.504 3.201 20 0 EGADRP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCCC1 ZINC000849107085 1322081508 /nfs/dbraw/zinc/08/15/08/1322081508.db2.gz GUCOITCSZNVSMQ-LLVKDONJSA-N 2 0 330.354 3.006 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C3CC3)cc1)C2 ZINC000922391705 1322517449 /nfs/dbraw/zinc/51/74/49/1322517449.db2.gz YKXDDDVITSHLKM-CGXNFDGLSA-N 2 0 328.500 3.133 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000922503943 1322544292 /nfs/dbraw/zinc/54/42/92/1322544292.db2.gz LWPVVBCEBYLRNB-UHFFFAOYSA-N 2 0 330.428 3.273 20 0 EGADRP COc1ccc(OC2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923303788 1322730081 /nfs/dbraw/zinc/73/00/81/1322730081.db2.gz QGDQZBIPJKGSLA-AYHJJNSGSA-N 2 0 344.499 3.459 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000923361976 1322740822 /nfs/dbraw/zinc/74/08/22/1322740822.db2.gz JEVJGAMSOVHEER-PBFPGSCMSA-N 2 0 343.298 3.348 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1C[NH3+] ZINC000923493512 1322761845 /nfs/dbraw/zinc/76/18/45/1322761845.db2.gz HOYQKSXKBNWPKL-SJLPKXTDSA-N 2 0 325.456 3.077 20 0 EGADRP C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923525994 1322769910 /nfs/dbraw/zinc/76/99/10/1322769910.db2.gz MKOGSIIRFQHMDM-CZUORRHYSA-N 2 0 340.920 3.320 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC[N@@H+]3C3CCCC3)n2)cc1 ZINC000923780284 1322807602 /nfs/dbraw/zinc/80/76/02/1322807602.db2.gz KOEFLNNIBPHQMM-KRWDZBQOSA-N 2 0 326.444 3.488 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001024037778 1323089381 /nfs/dbraw/zinc/08/93/81/1323089381.db2.gz BNFLWSLRLKVZSH-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001024039098 1323090613 /nfs/dbraw/zinc/09/06/13/1323090613.db2.gz OMNMMBFYPXFGCE-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2CC(C[NH2+]CC3CCCC3)C2)c1 ZINC000962808175 1323106112 /nfs/dbraw/zinc/10/61/12/1323106112.db2.gz IQFOTWKJSWLQSM-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1)CC(C)C ZINC000851891779 1323108194 /nfs/dbraw/zinc/10/81/94/1323108194.db2.gz CCJCQSIREVZMLI-GOSISDBHSA-N 2 0 326.525 3.218 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000924684311 1323112200 /nfs/dbraw/zinc/11/22/00/1323112200.db2.gz DQUWGPUVHDKSRE-MISYRCLQSA-N 2 0 332.536 3.376 20 0 EGADRP C[C@@H]1[C@@H](NC2CC[NH+](C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000924841814 1323184436 /nfs/dbraw/zinc/18/44/36/1323184436.db2.gz DWQKJCMQYVEYCR-UTKZUKDTSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1csc2ccccc12)CN1CC[NH+](C)CC1 ZINC000924947780 1323223639 /nfs/dbraw/zinc/22/36/39/1323223639.db2.gz AWUUGPQMENXTIY-HOTGVXAUSA-N 2 0 331.529 3.435 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000924959912 1323228290 /nfs/dbraw/zinc/22/82/90/1323228290.db2.gz MSSKCMKPFFZSRG-FQEVSTJZSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000924964168 1323230998 /nfs/dbraw/zinc/23/09/98/1323230998.db2.gz OTRUDDFISHNLDZ-XLIONFOSSA-N 2 0 343.515 3.065 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278523 1323257043 /nfs/dbraw/zinc/25/70/43/1323257043.db2.gz PVIPBHMRSUAQAS-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557106 1323497107 /nfs/dbraw/zinc/49/71/07/1323497107.db2.gz LTTBJZLHVOJLRG-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001024620404 1323548604 /nfs/dbraw/zinc/54/86/04/1323548604.db2.gz UCXVOQIUCABJRF-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024692603 1323609287 /nfs/dbraw/zinc/60/92/87/1323609287.db2.gz PJRAUZKPJIGZGQ-RBUKOAKNSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1)C12CC[NH+](CC1)C2 ZINC001024760054 1323661350 /nfs/dbraw/zinc/66/13/50/1323661350.db2.gz PKVOSYJAAWGKEH-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811308 1323714622 /nfs/dbraw/zinc/71/46/22/1323714622.db2.gz PPXLEWJAPPWCKP-MOPGFXCFSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024812713 1323716065 /nfs/dbraw/zinc/71/60/65/1323716065.db2.gz ROCXXCAWOAWYPS-ZWKOTPCHSA-N 2 0 349.544 3.093 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814985 1323718447 /nfs/dbraw/zinc/71/84/47/1323718447.db2.gz ZFJALNSILRWSDH-PKOBYXMFSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1)C1CC1 ZINC001024985086 1323812960 /nfs/dbraw/zinc/81/29/60/1323812960.db2.gz LIYQCFYJXBAIPK-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000859995097 1329123872 /nfs/dbraw/zinc/12/38/72/1329123872.db2.gz KQJCHNPWIXXYLL-FQEVSTJZSA-N 2 0 330.447 3.443 20 0 EGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486178 1329128680 /nfs/dbraw/zinc/12/86/80/1329128680.db2.gz XNTOOEUBAUFVPE-CYBMUJFWSA-N 2 0 346.393 3.035 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001025465942 1324310127 /nfs/dbraw/zinc/31/01/27/1324310127.db2.gz XCBSFHLYMLGKQR-NVXWUHKLSA-N 2 0 342.487 3.129 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025493078 1324344818 /nfs/dbraw/zinc/34/48/18/1324344818.db2.gz KDZMOSKTCMUZTG-IEBWSBKVSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001025527572 1324373659 /nfs/dbraw/zinc/37/36/59/1324373659.db2.gz YJRSMBDWEKRHRR-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026492735 1324846472 /nfs/dbraw/zinc/84/64/72/1324846472.db2.gz VWUVDLICYFMVAY-MHJFOBGBSA-N 2 0 349.563 3.457 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026503494 1324853219 /nfs/dbraw/zinc/85/32/19/1324853219.db2.gz WZBXEQYPTCSKSM-ACBHZAAOSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1c(C(=O)NC2CCC([NH2+]CC3CCC3)CC2)ccc2c[nH+]cn21 ZINC001026518785 1324864166 /nfs/dbraw/zinc/86/41/66/1324864166.db2.gz JBOBIEWMJIHYQY-UHFFFAOYSA-N 2 0 340.471 3.073 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001026521999 1324865483 /nfs/dbraw/zinc/86/54/83/1324865483.db2.gz JKCPLORIHUIYKK-UHFFFAOYSA-N 2 0 347.547 3.212 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001026884762 1325060796 /nfs/dbraw/zinc/06/07/96/1325060796.db2.gz BOHYTFDPTFACKS-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026897909 1325067626 /nfs/dbraw/zinc/06/76/26/1325067626.db2.gz WQGXAUMUZMNXQF-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C2)CC1 ZINC000853504724 1325106898 /nfs/dbraw/zinc/10/68/98/1325106898.db2.gz ODVDAOKFJXNLFY-UXHICEINSA-N 2 0 347.547 3.036 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)[NH2+]2 ZINC000925471680 1325165644 /nfs/dbraw/zinc/16/56/44/1325165644.db2.gz DFOYTBDKVGNMCI-ACSHBGDTSA-N 2 0 349.469 3.048 20 0 EGADRP Clc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925493878 1325177168 /nfs/dbraw/zinc/17/71/68/1325177168.db2.gz RZSGJHPGMMJIOT-MAUKXSAKSA-N 2 0 333.907 3.431 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925534382 1325196962 /nfs/dbraw/zinc/19/69/62/1325196962.db2.gz LDGQHEGCUYDRNM-LSTHTHJFSA-N 2 0 343.515 3.030 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000925560024 1325209022 /nfs/dbraw/zinc/20/90/22/1325209022.db2.gz VYPMQWOALLEQJO-OALUTQOASA-N 3 0 347.934 3.412 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCCN(Cc3c(F)cccc3F)C1)[NH2+]2 ZINC000925565872 1325213799 /nfs/dbraw/zinc/21/37/99/1325213799.db2.gz ASHWQBROJFOPPF-SKINNJBASA-N 2 0 349.469 3.048 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925580764 1325219709 /nfs/dbraw/zinc/21/97/09/1325219709.db2.gz MMVMYBUEVVNNFU-LJQANCHMSA-N 2 0 341.455 3.477 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027103944 1325229164 /nfs/dbraw/zinc/22/91/64/1325229164.db2.gz IWWMIURLEHBIIY-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000925627237 1325238073 /nfs/dbraw/zinc/23/80/73/1325238073.db2.gz APXHOSAOOOQUOH-GVKYDWODSA-N 2 0 337.870 3.163 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925666749 1325255557 /nfs/dbraw/zinc/25/55/57/1325255557.db2.gz QXWWZGRLZMZUKF-RBUKOAKNSA-N 2 0 327.516 3.161 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(N2CCCCC2=O)cc1 ZINC000925677281 1325258977 /nfs/dbraw/zinc/25/89/77/1325258977.db2.gz RYHIKWLSJKPXAN-WBAXXEDZSA-N 2 0 327.472 3.124 20 0 EGADRP COc1ccccc1-c1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925716798 1325268811 /nfs/dbraw/zinc/26/88/11/1325268811.db2.gz QEINFQSEVDKRRV-KGLIPLIRSA-N 2 0 329.444 3.346 20 0 EGADRP C[C@H](CCc1ccc(F)cc1F)N1CCc2sc(C[NH3+])nc2C1 ZINC000925750127 1325282444 /nfs/dbraw/zinc/28/24/44/1325282444.db2.gz CNUNWLOEJRSAFQ-LLVKDONJSA-N 2 0 337.439 3.259 20 0 EGADRP Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806740 1325308355 /nfs/dbraw/zinc/30/83/55/1325308355.db2.gz AERABQCCEMYXDM-OAQYLSRUSA-N 2 0 339.458 3.008 20 0 EGADRP CC(C)c1ccc([C@H]([NH2+]CCOCC[NH+](C)C)c2cccnc2)cc1 ZINC000926258785 1325493712 /nfs/dbraw/zinc/49/37/12/1325493712.db2.gz WRJNPSLPSHUFEJ-NRFANRHFSA-N 2 0 341.499 3.462 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3cccnc3)C2)CC1 ZINC000926532449 1325588946 /nfs/dbraw/zinc/58/89/46/1325588946.db2.gz XZUBTSAYJSECOJ-VQTJNVASSA-N 2 0 331.504 3.402 20 0 EGADRP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000926553856 1327613256 /nfs/dbraw/zinc/61/32/56/1327613256.db2.gz VIRVUOAPKYMBIU-VTHDOGFWSA-N 2 0 328.500 3.323 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027409841 1327637815 /nfs/dbraw/zinc/63/78/15/1327637815.db2.gz OTTLXWCOHXGRLN-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP C[N@H+](CCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442672 1327681192 /nfs/dbraw/zinc/68/11/92/1327681192.db2.gz DUAUUSPBKRHOTL-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000926791247 1327719333 /nfs/dbraw/zinc/71/93/33/1327719333.db2.gz QCKOVUXMOFPYJO-PMACEKPBSA-N 2 0 332.536 3.231 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492614 1327752660 /nfs/dbraw/zinc/75/26/60/1327752660.db2.gz RNDBYOCXRXJQAH-HXUWFJFHSA-N 2 0 348.450 3.071 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000927021160 1327823601 /nfs/dbraw/zinc/82/36/01/1327823601.db2.gz WMRANIICUKOOBF-MISYRCLQSA-N 2 0 343.515 3.373 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027542379 1327845912 /nfs/dbraw/zinc/84/59/12/1327845912.db2.gz KWZAHCDFSUGXGY-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555375 1327862139 /nfs/dbraw/zinc/86/21/39/1327862139.db2.gz KGLSYOKBTFNTDO-FXAWDEMLSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)C1)[NH+](C)C ZINC001027578164 1327915286 /nfs/dbraw/zinc/91/52/86/1327915286.db2.gz FKGNJCIROCVDQH-UXHICEINSA-N 2 0 345.531 3.066 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680694 1328077996 /nfs/dbraw/zinc/07/79/96/1328077996.db2.gz JCKCVQBLAALVOS-OALUTQOASA-N 2 0 343.515 3.075 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027878775 1328345751 /nfs/dbraw/zinc/34/57/51/1328345751.db2.gz ILEUTCBBOYWDLO-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885482 1328354613 /nfs/dbraw/zinc/35/46/13/1328354613.db2.gz FKZJQJIEAHRHAU-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001027924467 1328403069 /nfs/dbraw/zinc/40/30/69/1328403069.db2.gz JRNFMWZGTUWYGG-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929668 1328408902 /nfs/dbraw/zinc/40/89/02/1328408902.db2.gz HWNKJOLZZMAKTD-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCC2)ccc2c[nH+]cn21 ZINC001027982029 1328454689 /nfs/dbraw/zinc/45/46/89/1328454689.db2.gz LERLNYFCNWNLKQ-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)CC1 ZINC000865413213 1329693776 /nfs/dbraw/zinc/69/37/76/1329693776.db2.gz ZSRDFWOOCMNJBA-UHFFFAOYSA-N 2 0 347.547 3.110 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000865522263 1329708671 /nfs/dbraw/zinc/70/86/71/1329708671.db2.gz MMLBKDFMXNDDLN-UHFFFAOYSA-N 2 0 345.487 3.063 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(OC(F)F)cc2F)CC[NH+](C)CC1 ZINC000865573901 1329715281 /nfs/dbraw/zinc/71/52/81/1329715281.db2.gz NXTRHHRDBLZAMG-UHFFFAOYSA-N 2 0 348.434 3.344 20 0 EGADRP Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c(-c2cc(F)ccc2F)n1 ZINC000865605871 1329719198 /nfs/dbraw/zinc/71/91/98/1329719198.db2.gz JCBQQYPZCMZURT-UHFFFAOYSA-N 2 0 348.441 3.328 20 0 EGADRP COc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc2c1OCO2 ZINC000865715457 1329731874 /nfs/dbraw/zinc/73/18/74/1329731874.db2.gz SQOHJXMEEDYOMK-UHFFFAOYSA-N 2 0 334.460 3.024 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000865717081 1329732245 /nfs/dbraw/zinc/73/22/45/1329732245.db2.gz NJNGTVNRHQRLRE-QGZVFWFLSA-N 2 0 339.524 3.096 20 0 EGADRP COc1cc(OC)c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc1F ZINC000865716595 1329732250 /nfs/dbraw/zinc/73/22/50/1329732250.db2.gz AVTVRBVGNQPYQN-UHFFFAOYSA-N 2 0 338.467 3.443 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486906 1348554389 /nfs/dbraw/zinc/55/43/89/1348554389.db2.gz QMOKTYMKQVQQFN-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP c1cc(C[N@@H+]2CCC[C@@H]2C2OCCO2)cc(C[NH+]2CCCCC2)c1 ZINC000933899667 1329932052 /nfs/dbraw/zinc/93/20/52/1329932052.db2.gz FSOFQUZFDNBXIF-LJQANCHMSA-N 2 0 330.472 3.010 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC000939449211 1330437371 /nfs/dbraw/zinc/43/73/71/1330437371.db2.gz WTOXUHVLQJAMGZ-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCCC1 ZINC000940747854 1331177906 /nfs/dbraw/zinc/17/79/06/1331177906.db2.gz PYPVXADDEFACNP-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC000940748258 1331178272 /nfs/dbraw/zinc/17/82/72/1331178272.db2.gz WUDHGHAVDUVCIG-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942173952 1331860713 /nfs/dbraw/zinc/86/07/13/1331860713.db2.gz SPHZCOJYHBDTCY-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310177 1333084716 /nfs/dbraw/zinc/08/47/16/1333084716.db2.gz MSGISMJWUFZVIG-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362461 1333104165 /nfs/dbraw/zinc/10/41/65/1333104165.db2.gz XDKKWOKABLOMKQ-ZBFHGGJFSA-N 2 0 337.533 3.193 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947474085 1333142470 /nfs/dbraw/zinc/14/24/70/1333142470.db2.gz QGWREVRRANMNSY-DOTOQJQBSA-N 2 0 340.471 3.192 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CCCCC1 ZINC000947498568 1333147785 /nfs/dbraw/zinc/14/77/85/1333147785.db2.gz WBHBBBPZIFXLKJ-HKUYNNGSSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCCC1 ZINC000947684950 1333222945 /nfs/dbraw/zinc/22/29/45/1333222945.db2.gz KMOQIVQWHJEWOZ-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC(C)(C)C ZINC000947727543 1333242303 /nfs/dbraw/zinc/24/23/03/1333242303.db2.gz YXABLTAJFNQLFP-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC1CCC1 ZINC000947799775 1333265449 /nfs/dbraw/zinc/26/54/49/1333265449.db2.gz CSDYKAALFKDYER-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC1CCC1 ZINC000947799777 1333265462 /nfs/dbraw/zinc/26/54/62/1333265462.db2.gz CSDYKAALFKDYER-OXQOHEQNSA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000947882114 1333289972 /nfs/dbraw/zinc/28/99/72/1333289972.db2.gz OEERCOLWLSZEQA-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCCCCC1 ZINC000948040831 1333349817 /nfs/dbraw/zinc/34/98/17/1333349817.db2.gz UKLGVSCYBMQLTG-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C/C=C\Cl ZINC000948055430 1333357158 /nfs/dbraw/zinc/35/71/58/1333357158.db2.gz BXJPLWVREQONQB-GQNHIRNISA-N 2 0 349.906 3.083 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1C/C=C\Cl ZINC000948065483 1333361833 /nfs/dbraw/zinc/36/18/33/1333361833.db2.gz JVKZJXQCTSWWAO-ULEBIONPSA-N 2 0 349.906 3.083 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000948389468 1333504570 /nfs/dbraw/zinc/50/45/70/1333504570.db2.gz SCJAFXRGGNYPLN-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416605 1333516612 /nfs/dbraw/zinc/51/66/12/1333516612.db2.gz JZHKBQDVEJLJAG-MRXNPFEDSA-N 2 0 337.533 3.145 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435687 1333523498 /nfs/dbraw/zinc/52/34/98/1333523498.db2.gz NVMSQGJSLVDTEG-PMACEKPBSA-N 2 0 349.563 3.243 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439492 1333525329 /nfs/dbraw/zinc/52/53/29/1333525329.db2.gz QMRATVXXUNBTFR-OALUTQOASA-N 2 0 337.552 3.362 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439494 1333525689 /nfs/dbraw/zinc/52/56/89/1333525689.db2.gz QMRATVXXUNBTFR-RTBURBONSA-N 2 0 337.552 3.362 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948553924 1333572183 /nfs/dbraw/zinc/57/21/83/1333572183.db2.gz OGRNYZLLUJNJTC-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620881 1333599947 /nfs/dbraw/zinc/59/99/47/1333599947.db2.gz KABXACCKPPVFSL-WBVHZDCISA-N 2 0 346.450 3.009 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948643782 1333609770 /nfs/dbraw/zinc/60/97/70/1333609770.db2.gz ZITJQCKVMUDDBO-LJQANCHMSA-N 2 0 345.531 3.127 20 0 EGADRP CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948706050 1333641032 /nfs/dbraw/zinc/64/10/32/1333641032.db2.gz SOPRZIDDITZZMT-PKOBYXMFSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000948755815 1333663773 /nfs/dbraw/zinc/66/37/73/1333663773.db2.gz MHLOLSDVGZLESC-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000948760219 1333665444 /nfs/dbraw/zinc/66/54/44/1333665444.db2.gz WBJDPHUMNGHSKF-FQEVSTJZSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000948767708 1333670538 /nfs/dbraw/zinc/67/05/38/1333670538.db2.gz ZOVJJMXNDGLJCW-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772144 1333672309 /nfs/dbraw/zinc/67/23/09/1333672309.db2.gz UEMGLGCSEPOFID-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948775517 1333674890 /nfs/dbraw/zinc/67/48/90/1333674890.db2.gz KIOFNDJSODASOV-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@@H](N(C)C(=O)Cc3cnc[nH]3)CC2)CC1 ZINC000948811999 1333692366 /nfs/dbraw/zinc/69/23/66/1333692366.db2.gz DAJGVSCHVDTQQE-FAFZWHIHSA-N 2 0 346.519 3.091 20 0 EGADRP CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851848 1333709501 /nfs/dbraw/zinc/70/95/01/1333709501.db2.gz CKODJRHPJXGPNR-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP O=C(N1CC[NH+](CCC2CCCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC000949091148 1333776462 /nfs/dbraw/zinc/77/64/62/1333776462.db2.gz FFCANGZVRGUTJN-UHFFFAOYSA-N 2 0 347.547 3.120 20 0 EGADRP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950331519 1334043493 /nfs/dbraw/zinc/04/34/93/1334043493.db2.gz PYMDMNLFDGDKFZ-ZWKOTPCHSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)C1C[NH+](CC2CCCCC2)C1 ZINC000950773458 1334126565 /nfs/dbraw/zinc/12/65/65/1334126565.db2.gz JKOHSRWELVJXCS-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CCC2CCCCC2)C1 ZINC000951380571 1334235015 /nfs/dbraw/zinc/23/50/15/1334235015.db2.gz VUYNGXVNADYBCW-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330592 1335891574 /nfs/dbraw/zinc/89/15/74/1335891574.db2.gz BREUUJAAUGGNQW-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCC1 ZINC000968673429 1336005153 /nfs/dbraw/zinc/00/51/53/1336005153.db2.gz WJCGEVCZPSXAOF-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cnc2cc(C(=O)NC[C@@H]3CCCCC[N@H+]3CC(C)C)ccn12 ZINC000968858370 1336070987 /nfs/dbraw/zinc/07/09/87/1336070987.db2.gz CNAHBHBDZITWPU-SFHVURJKSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000968904032 1336085354 /nfs/dbraw/zinc/08/53/54/1336085354.db2.gz HDOCECLNTJVFJL-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000969059094 1336133075 /nfs/dbraw/zinc/13/30/75/1336133075.db2.gz FWBGZONBCRLPBS-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC=C(C)C ZINC000969156243 1336164871 /nfs/dbraw/zinc/16/48/71/1336164871.db2.gz NYBCLMYLLWAIML-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969699627 1336237951 /nfs/dbraw/zinc/23/79/51/1336237951.db2.gz LTMCCTFOYMKMAM-SQGPQFPESA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969699622 1336238026 /nfs/dbraw/zinc/23/80/26/1336238026.db2.gz LTMCCTFOYMKMAM-MBOZVWFJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC000969707706 1336238653 /nfs/dbraw/zinc/23/86/53/1336238653.db2.gz XDKBHUVHOBOXPH-LSTHTHJFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000969968825 1336267529 /nfs/dbraw/zinc/26/75/29/1336267529.db2.gz LACJMRSRICEOFK-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000970673639 1336331856 /nfs/dbraw/zinc/33/18/56/1336331856.db2.gz VGRHYYDHTRCIBV-KRWDZBQOSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000970792462 1336337827 /nfs/dbraw/zinc/33/78/27/1336337827.db2.gz KZJAMBVWMYXZMR-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001005991897 1336435621 /nfs/dbraw/zinc/43/56/21/1336435621.db2.gz QGGBTBURZBIWOP-MSOLQXFVSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006082808 1336449238 /nfs/dbraw/zinc/44/92/38/1336449238.db2.gz BLZUNAAHVQXHRK-LJQANCHMSA-N 2 0 335.536 3.138 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006084109 1336449955 /nfs/dbraw/zinc/44/99/55/1336449955.db2.gz MUUUQNFEKVGQFJ-HKUYNNGSSA-N 2 0 337.552 3.218 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001006185640 1336463967 /nfs/dbraw/zinc/46/39/67/1336463967.db2.gz ZHCMCOKAVFVBGD-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006293185 1336484829 /nfs/dbraw/zinc/48/48/29/1336484829.db2.gz XOAAIHLYZXYPSV-HKUYNNGSSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006412690 1336501249 /nfs/dbraw/zinc/50/12/49/1336501249.db2.gz KQBFJXMOTZGJLS-HXUWFJFHSA-N 2 0 343.515 3.156 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001008278258 1336812791 /nfs/dbraw/zinc/81/27/91/1336812791.db2.gz WUQGCAWSGDKCCQ-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278788 1336813085 /nfs/dbraw/zinc/81/30/85/1336813085.db2.gz YPYCITWDUBAVTD-QUCCMNQESA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]1C[N@H+](Cc2c(F)cccc2Br)CCC[C@H]1C[NH3+] ZINC001205996189 1370933467 /nfs/dbraw/zinc/93/34/67/1370933467.db2.gz VUJMDDFQFJSMLR-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001008402356 1336843390 /nfs/dbraw/zinc/84/33/90/1336843390.db2.gz AYRRZSPCWOGCAM-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001008529275 1336876687 /nfs/dbraw/zinc/87/66/87/1336876687.db2.gz FLVSTPNJFSDBMP-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536972 1336877378 /nfs/dbraw/zinc/87/73/78/1336877378.db2.gz CCQJGDCDCLYMAP-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749973 1336919876 /nfs/dbraw/zinc/91/98/76/1336919876.db2.gz SXCXMFSWCOQLDL-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773067 1336924549 /nfs/dbraw/zinc/92/45/49/1336924549.db2.gz YGTAGJYBGNLOBU-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)C2)c1 ZINC001009611200 1337046679 /nfs/dbraw/zinc/04/66/79/1337046679.db2.gz OFLKMFJTRSHXIZ-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014415563 1337771338 /nfs/dbraw/zinc/77/13/38/1337771338.db2.gz VMLOZZKVMFBHNC-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014720294 1337882676 /nfs/dbraw/zinc/88/26/76/1337882676.db2.gz CRKFHIBQIOOEGQ-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014721163 1337883117 /nfs/dbraw/zinc/88/31/17/1337883117.db2.gz IJGAYPFXEMNSSC-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014723021 1337884762 /nfs/dbraw/zinc/88/47/62/1337884762.db2.gz NYHAIJCUTZAPIF-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001014728064 1337888646 /nfs/dbraw/zinc/88/86/46/1337888646.db2.gz KNOYNUOKMXVPRE-PKOBYXMFSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014964729 1337970459 /nfs/dbraw/zinc/97/04/59/1337970459.db2.gz RHHGUFNLNXOPSO-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015291386 1338086508 /nfs/dbraw/zinc/08/65/08/1338086508.db2.gz QZXBFCHMVRHTLW-QFBILLFUSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603733 1338204385 /nfs/dbraw/zinc/20/43/85/1338204385.db2.gz XIPQMYLQRKMPDL-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001015614957 1338209034 /nfs/dbraw/zinc/20/90/34/1338209034.db2.gz HTSVBZPWOQXGOQ-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015795418 1338314730 /nfs/dbraw/zinc/31/47/30/1338314730.db2.gz OYLLIOJCAXURRA-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)C2)cc1 ZINC001015858353 1338335959 /nfs/dbraw/zinc/33/59/59/1338335959.db2.gz ODFGGCULDSHXHT-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001015973933 1338386367 /nfs/dbraw/zinc/38/63/67/1338386367.db2.gz VAWIOQZGHAETSZ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015974772 1338386969 /nfs/dbraw/zinc/38/69/69/1338386969.db2.gz HVTBZXQNSTVGHX-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001016338994 1338555982 /nfs/dbraw/zinc/55/59/82/1338555982.db2.gz MTPDIJYGDTXQCZ-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016651415 1338679200 /nfs/dbraw/zinc/67/92/00/1338679200.db2.gz HHWNPHCNNVZGPO-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016660791 1338682100 /nfs/dbraw/zinc/68/21/00/1338682100.db2.gz BHIORCLZNDRQNH-RTBURBONSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016686906 1338689928 /nfs/dbraw/zinc/68/99/28/1338689928.db2.gz DQXUPGQDYDFRIL-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016697496 1338694804 /nfs/dbraw/zinc/69/48/04/1338694804.db2.gz HTHPZDJTQZSCDZ-GOSISDBHSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862485 1338751532 /nfs/dbraw/zinc/75/15/32/1338751532.db2.gz ZZWJYTVDSGARAT-RTBURBONSA-N 2 0 347.547 3.186 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC)CC2 ZINC001016924420 1338771494 /nfs/dbraw/zinc/77/14/94/1338771494.db2.gz WVQFBEUWEZIZSD-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001016976545 1338789651 /nfs/dbraw/zinc/78/96/51/1338789651.db2.gz ZVGLHDOQAYXERN-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017143734 1338895049 /nfs/dbraw/zinc/89/50/49/1338895049.db2.gz YWRMFLFLSSQBHY-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001017246057 1338976869 /nfs/dbraw/zinc/97/68/69/1338976869.db2.gz LOQGOIRUJKPLCZ-NQIIRXRSSA-N 2 0 345.531 3.042 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001017249278 1338979812 /nfs/dbraw/zinc/97/98/12/1338979812.db2.gz AJWYEDSMWIIIHL-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1)[NH+]1CCCCC1 ZINC001017265906 1338991244 /nfs/dbraw/zinc/99/12/44/1338991244.db2.gz GTYJIMCWBWLQBL-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001028088677 1340417769 /nfs/dbraw/zinc/41/77/69/1340417769.db2.gz NQAIJSDGFHBACP-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093306 1340421176 /nfs/dbraw/zinc/42/11/76/1340421176.db2.gz JTUYOMBFGSVUMH-RTBURBONSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093642 1340421498 /nfs/dbraw/zinc/42/14/98/1340421498.db2.gz MWFWXGDYNOOHGT-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)cc1 ZINC001028202957 1340481890 /nfs/dbraw/zinc/48/18/90/1340481890.db2.gz LJEZMALRLYYGLD-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001028334980 1340572174 /nfs/dbraw/zinc/57/21/74/1340572174.db2.gz LZINEORPGHROQU-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661137 1340746200 /nfs/dbraw/zinc/74/62/00/1340746200.db2.gz GDGYNZAWSSGXSX-IAGOWNOFSA-N 2 0 348.450 3.147 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028846075 1340857786 /nfs/dbraw/zinc/85/77/86/1340857786.db2.gz XETCHVRLUVAMGM-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001028918364 1340883471 /nfs/dbraw/zinc/88/34/71/1340883471.db2.gz GBLUXFNJYJHVQR-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001029111792 1340932677 /nfs/dbraw/zinc/93/26/77/1340932677.db2.gz OMVLSWUIHDRWMN-YLJYHZDGSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001029146005 1340942706 /nfs/dbraw/zinc/94/27/06/1340942706.db2.gz GQJULGOQATUDOM-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029330283 1340972964 /nfs/dbraw/zinc/97/29/64/1340972964.db2.gz KHVKGNOSSMBBPM-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1)C1CCC1 ZINC001029339666 1340974215 /nfs/dbraw/zinc/97/42/15/1340974215.db2.gz CAEORTLFDFQYBP-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001029550188 1341010861 /nfs/dbraw/zinc/01/08/61/1341010861.db2.gz DDALTRVTIBASAZ-VNTMZGSJSA-N 2 0 349.563 3.362 20 0 EGADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCCC1 ZINC001029585045 1341016897 /nfs/dbraw/zinc/01/68/97/1341016897.db2.gz OJIVQWKMANUFDM-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029755014 1341064384 /nfs/dbraw/zinc/06/43/84/1341064384.db2.gz HHWATEPXMCRPBJ-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001029976190 1341141200 /nfs/dbraw/zinc/14/12/00/1341141200.db2.gz GZBRORYYTUJECU-UHFFFAOYSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1)[NH+](C)C ZINC001029992637 1341149356 /nfs/dbraw/zinc/14/93/56/1341149356.db2.gz FOKKTPKJVCZKEQ-HXUWFJFHSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001030019285 1341159650 /nfs/dbraw/zinc/15/96/50/1341159650.db2.gz HBMHUDYZLMTMQE-SNRMKQJTSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001030033524 1341162421 /nfs/dbraw/zinc/16/24/21/1341162421.db2.gz MHEZMIBSLXNZRR-HNJRGHQBSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031802621 1341403817 /nfs/dbraw/zinc/40/38/17/1341403817.db2.gz TYBUQZWFGUPCDF-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001031919139 1341421962 /nfs/dbraw/zinc/42/19/62/1341421962.db2.gz MRVWPZMKIILSNN-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001032118969 1341458662 /nfs/dbraw/zinc/45/86/62/1341458662.db2.gz CCXWTFZZIAMJAE-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001032119144 1341458698 /nfs/dbraw/zinc/45/86/98/1341458698.db2.gz HAEQXYXBXFBKLQ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1)C1CCC1 ZINC001032448509 1341513426 /nfs/dbraw/zinc/51/34/26/1341513426.db2.gz RGPHXQASEXLGAN-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032813243 1341624469 /nfs/dbraw/zinc/62/44/69/1341624469.db2.gz ZRUAXINTDQOZTO-IKGGRYGDSA-N 2 0 347.503 3.066 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033125185 1341733147 /nfs/dbraw/zinc/73/31/47/1341733147.db2.gz AIPVZRZLLUTGLK-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366433 1341797738 /nfs/dbraw/zinc/79/77/38/1341797738.db2.gz XJZCIYOYPPIRGO-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033416737 1341820950 /nfs/dbraw/zinc/82/09/50/1341820950.db2.gz RGHXWTVAKFTKFZ-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001033468414 1341838447 /nfs/dbraw/zinc/83/84/47/1341838447.db2.gz ZFWMFYDBEPMCAN-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001033473512 1341840750 /nfs/dbraw/zinc/84/07/50/1341840750.db2.gz ALKVWOAGVJSJRN-LYBXBRPPSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001033530658 1341860173 /nfs/dbraw/zinc/86/01/73/1341860173.db2.gz FJANPYISWJVCOZ-LYBXBRPPSA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001033532978 1341861462 /nfs/dbraw/zinc/86/14/62/1341861462.db2.gz WVWFAQCIOMVVBN-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572593 1341878377 /nfs/dbraw/zinc/87/83/77/1341878377.db2.gz VQTWZLFBGADPIB-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001033834433 1342034277 /nfs/dbraw/zinc/03/42/77/1342034277.db2.gz GGBDKVMUFVMZBG-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034132253 1342261021 /nfs/dbraw/zinc/26/10/21/1342261021.db2.gz QJJAINGXSYIOFF-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210610 1342320465 /nfs/dbraw/zinc/32/04/65/1342320465.db2.gz IFJQQJLOGGADHT-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034239206 1342340422 /nfs/dbraw/zinc/34/04/22/1342340422.db2.gz JBAWOOALEWJISB-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034240133 1342341313 /nfs/dbraw/zinc/34/13/13/1342341313.db2.gz POMDEUUMYPRUKH-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034240507 1342341690 /nfs/dbraw/zinc/34/16/90/1342341690.db2.gz QMVSHQJAQJIWDZ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034248559 1342346419 /nfs/dbraw/zinc/34/64/19/1342346419.db2.gz DKXNVCVNKCGKHC-OALUTQOASA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034248567 1342347039 /nfs/dbraw/zinc/34/70/39/1342347039.db2.gz DLZQCVRBTLKBCU-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331632 1342406053 /nfs/dbraw/zinc/40/60/53/1342406053.db2.gz UORBRNVXMHVIMK-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001034340632 1342414416 /nfs/dbraw/zinc/41/44/16/1342414416.db2.gz RYPQFJGQBINKDR-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034359945 1342431412 /nfs/dbraw/zinc/43/14/12/1342431412.db2.gz DJJNPGFMQUTEPL-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378574 1342448086 /nfs/dbraw/zinc/44/80/86/1342448086.db2.gz VOZICKZWTDQQRW-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034393672 1342462357 /nfs/dbraw/zinc/46/23/57/1342462357.db2.gz GWHNKOWUKBCZJM-ICSRJNTNSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034400204 1342466820 /nfs/dbraw/zinc/46/68/20/1342466820.db2.gz WYAQEXRYCGVTET-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034438999 1342501471 /nfs/dbraw/zinc/50/14/71/1342501471.db2.gz REQGBCKDVWQTJT-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444514 1342504400 /nfs/dbraw/zinc/50/44/00/1342504400.db2.gz HSNSQQNSKJLMGS-APWZRJJASA-N 2 0 349.494 3.081 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001034510345 1342569007 /nfs/dbraw/zinc/56/90/07/1342569007.db2.gz IFOOLPWAQSOYJN-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@H+](CCC3CC3)C2)c1 ZINC001034536326 1342592544 /nfs/dbraw/zinc/59/25/44/1342592544.db2.gz FHEIEONGSYEBFF-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034538316 1342596997 /nfs/dbraw/zinc/59/69/97/1342596997.db2.gz LNTRRPCEONJFRE-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)CC[N@@H+]1C ZINC001034648180 1342669599 /nfs/dbraw/zinc/66/95/99/1342669599.db2.gz ZHSCZYAKMWEXFB-VBSBHUPXSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034735407 1342729358 /nfs/dbraw/zinc/72/93/58/1342729358.db2.gz GRNSNJVIMWKCIP-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)CC1 ZINC001034763919 1342743815 /nfs/dbraw/zinc/74/38/15/1342743815.db2.gz SHHDRQWFSSTOGN-MXVIHJGJSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034795736 1342762817 /nfs/dbraw/zinc/76/28/17/1342762817.db2.gz QCCBHQYCVLHPCT-WGSAOQKQSA-N 2 0 343.515 3.179 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034830359 1342791537 /nfs/dbraw/zinc/79/15/37/1342791537.db2.gz VQUOXRBCOOHCLM-HXUWFJFHSA-N 2 0 343.515 3.065 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)cs1 ZINC001034936134 1342843362 /nfs/dbraw/zinc/84/33/62/1342843362.db2.gz KKHVRMOMXROUAT-MSOLQXFVSA-N 2 0 349.544 3.010 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034972730 1342858844 /nfs/dbraw/zinc/85/88/44/1342858844.db2.gz IFFWBJCPFVVDSK-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001035131323 1342947878 /nfs/dbraw/zinc/94/78/78/1342947878.db2.gz HOWAJDGFYJFWDC-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001035227392 1343048435 /nfs/dbraw/zinc/04/84/35/1343048435.db2.gz QMKLZEKGKVRPOR-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CCC(C)(C)C)C3)CC2)CC[N@@H+]1C ZINC001035710722 1343145560 /nfs/dbraw/zinc/14/55/60/1343145560.db2.gz PRIVXLJAWVDFIO-ZWKOTPCHSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035721634 1343151851 /nfs/dbraw/zinc/15/18/51/1343151851.db2.gz XOCXJQXVZUAVDG-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035737069 1343161946 /nfs/dbraw/zinc/16/19/46/1343161946.db2.gz QRIJGRZEZFUKLP-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035858569 1343234507 /nfs/dbraw/zinc/23/45/07/1343234507.db2.gz WAIOBPFNIOFWSM-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036193343 1343356722 /nfs/dbraw/zinc/35/67/22/1343356722.db2.gz MKNHYQAUTZROOJ-PKOBYXMFSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036408680 1343469747 /nfs/dbraw/zinc/46/97/47/1343469747.db2.gz FYTNGPQNSDXECT-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001036450560 1343494651 /nfs/dbraw/zinc/49/46/51/1343494651.db2.gz NVIUNIMNFKCXIE-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036599404 1343570374 /nfs/dbraw/zinc/57/03/74/1343570374.db2.gz JZLXYFZTFOVJGT-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037854920 1344140758 /nfs/dbraw/zinc/14/07/58/1344140758.db2.gz RXNHQMPJBJGGAF-ZWKOTPCHSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1CC ZINC001037922915 1344183165 /nfs/dbraw/zinc/18/31/65/1344183165.db2.gz CQOYHFMNLHKCEW-ICSRJNTNSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037951596 1344199772 /nfs/dbraw/zinc/19/97/72/1344199772.db2.gz SRPVGENBCFIMPD-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001037978721 1344217462 /nfs/dbraw/zinc/21/74/62/1344217462.db2.gz NLHGKFKPKPHJKU-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001038348900 1344391374 /nfs/dbraw/zinc/39/13/74/1344391374.db2.gz DMKGFDZFTPLKBA-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCC1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038352510 1344392554 /nfs/dbraw/zinc/39/25/54/1344392554.db2.gz ICXTXOCCMFRREG-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462439 1344434589 /nfs/dbraw/zinc/43/45/89/1344434589.db2.gz LRNXJBKNTUYLKC-FUHWJXTLSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038519589 1344462973 /nfs/dbraw/zinc/46/29/73/1344462973.db2.gz LRFXZCZBYFPMDJ-IBGZPJMESA-N 2 0 338.455 3.029 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521442 1344464114 /nfs/dbraw/zinc/46/41/14/1344464114.db2.gz XSLIBQADLLUYDT-WOJBJXKFSA-N 2 0 348.450 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038625927 1344510251 /nfs/dbraw/zinc/51/02/51/1344510251.db2.gz SVSNDDSGHKQIBR-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038782917 1344582011 /nfs/dbraw/zinc/58/20/11/1344582011.db2.gz VOLUPZGBRIRNLG-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038901823 1344641616 /nfs/dbraw/zinc/64/16/16/1344641616.db2.gz AJERMTKFVSMBPT-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140094 1344820628 /nfs/dbraw/zinc/82/06/28/1344820628.db2.gz QLTGOTYIGVCTED-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179860 1344875470 /nfs/dbraw/zinc/87/54/70/1344875470.db2.gz HQTWQQMXVPDOPZ-PMACEKPBSA-N 2 0 349.563 3.099 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039258574 1344986861 /nfs/dbraw/zinc/98/68/61/1344986861.db2.gz XZVCSEVASYXIBT-VQTJNVASSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039281824 1344995264 /nfs/dbraw/zinc/99/52/64/1344995264.db2.gz XCEJQWVCPJYIQP-AYHJJNSGSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039302101 1345004354 /nfs/dbraw/zinc/00/43/54/1345004354.db2.gz WYVTWPKJSWGNTA-MVCQKVDPSA-N 2 0 335.536 3.161 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039302090 1345004496 /nfs/dbraw/zinc/00/44/96/1345004496.db2.gz WGDVRFCEWRBCJM-MVCQKVDPSA-N 2 0 335.536 3.163 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001039486172 1345103692 /nfs/dbraw/zinc/10/36/92/1345103692.db2.gz ACXVMJZYLHLRCT-HXUWFJFHSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001039528488 1345131491 /nfs/dbraw/zinc/13/14/91/1345131491.db2.gz NXGFKDBYCDHAQB-HSALFYBXSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CC1 ZINC001039643968 1345152485 /nfs/dbraw/zinc/15/24/85/1345152485.db2.gz JCUUQGAUTJASMM-AQNXPRMDSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC ZINC001039969612 1345271628 /nfs/dbraw/zinc/27/16/28/1345271628.db2.gz OTJOPELAXKQJRQ-OTWHNJEPSA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C(C)C ZINC001039969821 1345271919 /nfs/dbraw/zinc/27/19/19/1345271919.db2.gz XAUKUMPGVYFOKQ-CEXWTWQISA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431368 1345493826 /nfs/dbraw/zinc/49/38/26/1345493826.db2.gz GNVQNBUBORXUEW-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040544860 1345539055 /nfs/dbraw/zinc/53/90/55/1345539055.db2.gz LHXMKKDGYOLOGK-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001040757730 1345575742 /nfs/dbraw/zinc/57/57/42/1345575742.db2.gz YLJPADQAXMVEKN-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847453 1345587517 /nfs/dbraw/zinc/58/75/17/1345587517.db2.gz PJLMNBYWUFSZKC-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2)[NH+](C)C ZINC001040852666 1345588410 /nfs/dbraw/zinc/58/84/10/1345588410.db2.gz BMXWZGOIZXCAFQ-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948750 1345607886 /nfs/dbraw/zinc/60/78/86/1345607886.db2.gz YUWNTUJKELUJKI-OALUTQOASA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357743 1345710109 /nfs/dbraw/zinc/71/01/09/1345710109.db2.gz INMMGTGBGKEMJU-FPOVZHCZSA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845464 1345871705 /nfs/dbraw/zinc/87/17/05/1345871705.db2.gz DKTVUIILULUPGO-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2C[NH+](CCC3CCCCC3)C2)C1 ZINC001042912893 1346124443 /nfs/dbraw/zinc/12/44/43/1346124443.db2.gz WKLSDJJEXOQNLB-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044627595 1346386380 /nfs/dbraw/zinc/38/63/80/1346386380.db2.gz ASYLIKZWJQAWHW-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044628668 1346386902 /nfs/dbraw/zinc/38/69/02/1346386902.db2.gz IQWZFGJOHYPPPR-HKUYNNGSSA-N 2 0 347.547 3.330 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C[C@@H]2C)CC1 ZINC001044791111 1346428491 /nfs/dbraw/zinc/42/84/91/1346428491.db2.gz FHFPDLDIVABRPS-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C[C@H]2C)CC1 ZINC001044794257 1346429424 /nfs/dbraw/zinc/42/94/24/1346429424.db2.gz UYVVHUXWGIIBLY-UYAOXDASSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044856973 1346447033 /nfs/dbraw/zinc/44/70/33/1346447033.db2.gz CTLXMSFMRDKQED-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045033817 1346483913 /nfs/dbraw/zinc/48/39/13/1346483913.db2.gz GASKNIZNEQQFBC-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC001045079269 1346490531 /nfs/dbraw/zinc/49/05/31/1346490531.db2.gz BCDICJMRERILQC-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001045121399 1346498595 /nfs/dbraw/zinc/49/85/95/1346498595.db2.gz AWVKYBFVNRCCQU-FQEVSTJZSA-N 2 0 348.450 3.037 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001045202863 1346529059 /nfs/dbraw/zinc/52/90/59/1346529059.db2.gz ZWROUGKHLGWTBM-HKUYNNGSSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045229908 1346536502 /nfs/dbraw/zinc/53/65/02/1346536502.db2.gz YXHHJMKDYGWENJ-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045229556 1346536520 /nfs/dbraw/zinc/53/65/20/1346536520.db2.gz PWYQOUUJJUBYFC-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001045229919 1346536605 /nfs/dbraw/zinc/53/66/05/1346536605.db2.gz ZJVXFRANRGFZFI-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001045322423 1346559677 /nfs/dbraw/zinc/55/96/77/1346559677.db2.gz HOWAJDGFYJFWDC-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045322227 1346560048 /nfs/dbraw/zinc/56/00/48/1346560048.db2.gz IXXRQLCJLVEVMA-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCCC2)CC1 ZINC001045390995 1346580846 /nfs/dbraw/zinc/58/08/46/1346580846.db2.gz YLUAHZIXFYDUGS-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001045492218 1346608147 /nfs/dbraw/zinc/60/81/47/1346608147.db2.gz AJBCVWKOIXXPEL-UHFFFAOYSA-N 2 0 342.487 3.355 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045608553 1346646123 /nfs/dbraw/zinc/64/61/23/1346646123.db2.gz PNBBPAYXKJLTKF-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943989 1346779171 /nfs/dbraw/zinc/77/91/71/1346779171.db2.gz UFUFDPDFPGUQTC-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045943904 1346779224 /nfs/dbraw/zinc/77/92/24/1346779224.db2.gz RGQAIZDURBOSRI-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045943283 1346779482 /nfs/dbraw/zinc/77/94/82/1346779482.db2.gz HNCCHUASYMEBKX-FPOVZHCZSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)[NH+](C)C ZINC001045945276 1346781299 /nfs/dbraw/zinc/78/12/99/1346781299.db2.gz QRIDTWHWNYDMMS-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960833 1346796552 /nfs/dbraw/zinc/79/65/52/1346796552.db2.gz UGGVSCJCSKCWGG-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966421 1346801200 /nfs/dbraw/zinc/80/12/00/1346801200.db2.gz WCHGHFCKPFOFAJ-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1)[NH+]1CCCC1 ZINC001045986179 1346828068 /nfs/dbraw/zinc/82/80/68/1346828068.db2.gz JGFCMAKCODQKMS-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046375734 1346954842 /nfs/dbraw/zinc/95/48/42/1346954842.db2.gz OYKIIOFXJGRJCU-TZIWHRDSSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001046555188 1347014685 /nfs/dbraw/zinc/01/46/85/1347014685.db2.gz BELRTUYAVDLARJ-GHTZIAJQSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001046570018 1347022216 /nfs/dbraw/zinc/02/22/16/1347022216.db2.gz UBROHNBNXDNULS-HFSMHLIXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047225662 1347256643 /nfs/dbraw/zinc/25/66/43/1347256643.db2.gz GYLCCQZNBYKUHB-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244429 1347269643 /nfs/dbraw/zinc/26/96/43/1347269643.db2.gz RCIVEHHKUPAJFT-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048070144 1347458745 /nfs/dbraw/zinc/45/87/45/1347458745.db2.gz ZKQBFKSHKSAZPP-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532059 1347581246 /nfs/dbraw/zinc/58/12/46/1347581246.db2.gz QELNEERRHSLULB-HAGHYFMRSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048573881 1347600234 /nfs/dbraw/zinc/60/02/34/1347600234.db2.gz HEAQNMZOSBZAAU-OUUBHVDSSA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048590326 1347609129 /nfs/dbraw/zinc/60/91/29/1347609129.db2.gz MVLRWAYGUBANCK-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)ccc2c[nH+]cn21 ZINC001048611439 1347618103 /nfs/dbraw/zinc/61/81/03/1347618103.db2.gz VJCKJUDAJQYINZ-QAQDUYKDSA-N 2 0 342.487 3.177 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049507245 1347883514 /nfs/dbraw/zinc/88/35/14/1347883514.db2.gz FHCRJZQTMDGMFP-IPMKNSEASA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001049508580 1347884354 /nfs/dbraw/zinc/88/43/54/1347884354.db2.gz QIGFAAHFBLCRER-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049526702 1347892837 /nfs/dbraw/zinc/89/28/37/1347892837.db2.gz WJWJSLJAUPEDNN-SLFFLAALSA-N 2 0 347.547 3.281 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001049533124 1347894910 /nfs/dbraw/zinc/89/49/10/1347894910.db2.gz MOONIKFQWRGSOL-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001049532715 1347894950 /nfs/dbraw/zinc/89/49/50/1347894950.db2.gz JNMVWVYNHIRHDV-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049558817 1347908855 /nfs/dbraw/zinc/90/88/55/1347908855.db2.gz RWLVUBXOYGJFBV-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001049564700 1347912160 /nfs/dbraw/zinc/91/21/60/1347912160.db2.gz PLFFLNHNWBDEST-OALUTQOASA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049713325 1347988088 /nfs/dbraw/zinc/98/80/88/1347988088.db2.gz XURMQOPRIRGFCA-GBESFXJTSA-N 2 0 349.563 3.074 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049725175 1347991539 /nfs/dbraw/zinc/99/15/39/1347991539.db2.gz VRAMZOGZPXIVNN-RLLQIKCJSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CC1 ZINC001049767122 1348010607 /nfs/dbraw/zinc/01/06/07/1348010607.db2.gz NSYSPKLFZXYPKU-VAMGGRTRSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001050302076 1348228069 /nfs/dbraw/zinc/22/80/69/1348228069.db2.gz AUVUXDKAKSSFJW-LFGUQSLTSA-N 2 0 343.515 3.106 20 0 EGADRP CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050633697 1348309446 /nfs/dbraw/zinc/30/94/46/1348309446.db2.gz ZKXZDSXEOJJBHP-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001079849063 1357400840 /nfs/dbraw/zinc/40/08/40/1357400840.db2.gz NJCBLABOWHNSSK-YZGWKJHDSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381408 1348537065 /nfs/dbraw/zinc/53/70/65/1348537065.db2.gz PZDAXGSWJOOMGM-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052446643 1348542935 /nfs/dbraw/zinc/54/29/35/1348542935.db2.gz MXAKYMBYWAKRHZ-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447471 1348543718 /nfs/dbraw/zinc/54/37/18/1348543718.db2.gz FLHZYQMMFDAYRP-ICSRJNTNSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591642 1348588741 /nfs/dbraw/zinc/58/87/41/1348588741.db2.gz PYMYDUJQJKEPBR-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651684 1348614195 /nfs/dbraw/zinc/61/41/95/1348614195.db2.gz LQNBPNMQKNVPIB-PKOBYXMFSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708767 1348644211 /nfs/dbraw/zinc/64/42/11/1348644211.db2.gz GBUZIGDOBKWOKS-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764389 1348669544 /nfs/dbraw/zinc/66/95/44/1348669544.db2.gz NTYLAOFRHHOANK-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857141 1348704214 /nfs/dbraw/zinc/70/42/14/1348704214.db2.gz IMKQOUDQEJJMEX-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC001052959739 1348772704 /nfs/dbraw/zinc/77/27/04/1348772704.db2.gz XETNYAIZTXHEIR-KOJMWDNASA-N 2 0 349.906 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053096922 1348927021 /nfs/dbraw/zinc/92/70/21/1348927021.db2.gz BHSIGCXJUSGPRT-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001053104764 1348940794 /nfs/dbraw/zinc/94/07/94/1348940794.db2.gz QIRRYHDIBOLVPQ-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105594 1348943384 /nfs/dbraw/zinc/94/33/84/1348943384.db2.gz PYDMZEMHILSREH-VQTJNVASSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1)[NH+](C)C ZINC001054154992 1349158436 /nfs/dbraw/zinc/15/84/36/1349158436.db2.gz ZNRJFMFEKZDGAQ-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054183034 1349185802 /nfs/dbraw/zinc/18/58/02/1349185802.db2.gz WRBUVJDONCUWIC-FPOVZHCZSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001054266193 1349264158 /nfs/dbraw/zinc/26/41/58/1349264158.db2.gz PUFYRQJQCPQSJJ-OXQOHEQNSA-N 2 0 343.515 3.005 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267392 1349265176 /nfs/dbraw/zinc/26/51/76/1349265176.db2.gz RJVNRFGKPZQHDS-HXUWFJFHSA-N 2 0 343.515 3.293 20 0 EGADRP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270494 1349269072 /nfs/dbraw/zinc/26/90/72/1349269072.db2.gz PFPKAPUKZJMXQB-JXFKEZNVSA-N 2 0 343.515 3.149 20 0 EGADRP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2C1 ZINC001054278581 1349279225 /nfs/dbraw/zinc/27/92/25/1349279225.db2.gz HRFKZWVRAFKTMT-WMZOPIPTSA-N 2 0 343.515 3.005 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C(C)C)CC3)cc2C1 ZINC001054288371 1349292518 /nfs/dbraw/zinc/29/25/18/1349292518.db2.gz UQPYMOCWZVEAAB-UHFFFAOYSA-N 2 0 343.515 3.149 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054289809 1349293983 /nfs/dbraw/zinc/29/39/83/1349293983.db2.gz RQKDKXWUZOZJNS-YLJYHZDGSA-N 2 0 343.515 3.147 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001054297706 1349301911 /nfs/dbraw/zinc/30/19/11/1349301911.db2.gz PBSBJXVPZXOAMF-KVPLUYHFSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001054297862 1349302350 /nfs/dbraw/zinc/30/23/50/1349302350.db2.gz YTBJXYDLLWDBBJ-FRQCXROJSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH2+]CC1CCCC1 ZINC001054728160 1349448511 /nfs/dbraw/zinc/44/85/11/1349448511.db2.gz YUCUPTIUKGRBSH-WMLDXEAASA-N 2 0 349.544 3.050 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054740569 1349451437 /nfs/dbraw/zinc/45/14/37/1349451437.db2.gz WHIQAJNDNAAFQW-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054823360 1349479563 /nfs/dbraw/zinc/47/95/63/1349479563.db2.gz LHANSDPMYPMBFJ-QFBILLFUSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1CCCCC1 ZINC001071645607 1354824022 /nfs/dbraw/zinc/82/40/22/1354824022.db2.gz LDGGJWAJUNZCPP-MJGOQNOKSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCC1CCCC1 ZINC001071736088 1354888038 /nfs/dbraw/zinc/88/80/38/1354888038.db2.gz XIQLKBAGZNSJSG-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCC(C)(C)C ZINC001071821060 1354960920 /nfs/dbraw/zinc/96/09/20/1354960920.db2.gz ITGYNXAUTVRFMK-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071829004 1354965878 /nfs/dbraw/zinc/96/58/78/1354965878.db2.gz YNAABDVKWLQEMI-PXNSSMCTSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001072081021 1355118263 /nfs/dbraw/zinc/11/82/63/1355118263.db2.gz FQWPZLNPHFQTEM-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1CCC1CC1 ZINC001072099492 1355129087 /nfs/dbraw/zinc/12/90/87/1355129087.db2.gz RMYQYLDCHORYHY-LPHOPBHVSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001072334515 1355243937 /nfs/dbraw/zinc/24/39/37/1355243937.db2.gz CKLSYNYXWYDIJZ-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)(C)CC1)C2)[NH+](C)C ZINC001072850894 1355465064 /nfs/dbraw/zinc/46/50/64/1355465064.db2.gz CKRZQVVUIQDGTA-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073126121 1355610255 /nfs/dbraw/zinc/61/02/55/1355610255.db2.gz WQDDLEVTZZAGFB-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001074015697 1356036460 /nfs/dbraw/zinc/03/64/60/1356036460.db2.gz LBKPGMICPHGZQZ-UYAOXDASSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832361 1356260027 /nfs/dbraw/zinc/26/00/27/1356260027.db2.gz IKSLGMNTSHCFLJ-ZULIPRJHSA-N 2 0 347.547 3.186 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461522 1356395364 /nfs/dbraw/zinc/39/53/64/1356395364.db2.gz JZQJAWUUQXHZSD-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078746173 1357070422 /nfs/dbraw/zinc/07/04/22/1357070422.db2.gz IOOONJSQWLLWRU-OALUTQOASA-N 2 0 343.515 3.035 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082852208 1358099137 /nfs/dbraw/zinc/09/91/37/1358099137.db2.gz ZNQPGJBBMWGICL-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001183516935 1387316152 /nfs/dbraw/zinc/31/61/52/1387316152.db2.gz GVJPCPNBULWWGH-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1 ZINC001183578068 1387320404 /nfs/dbraw/zinc/32/04/04/1387320404.db2.gz YEJOIJQLZVYBGM-FQEVSTJZSA-N 2 0 347.547 3.158 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085225029 1358437599 /nfs/dbraw/zinc/43/75/99/1358437599.db2.gz FJVZCNIIQZJPJM-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001085319827 1358464041 /nfs/dbraw/zinc/46/40/41/1358464041.db2.gz QOTQUYGATXBATL-OTGCGEFBSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001085352457 1358476332 /nfs/dbraw/zinc/47/63/32/1358476332.db2.gz IHCBFZPTOJRIPY-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCCC2)C1 ZINC001085422422 1358495834 /nfs/dbraw/zinc/49/58/34/1358495834.db2.gz SKJYYRLWCVMZJJ-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2=CCCCC2)CC[N@@H+]1C ZINC001085604036 1358627187 /nfs/dbraw/zinc/62/71/87/1358627187.db2.gz VQUQCUWTNPGTNQ-HSALFYBXSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085688144 1358688130 /nfs/dbraw/zinc/68/81/30/1358688130.db2.gz CSHBYIHRQZCQMH-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782131 1358756480 /nfs/dbraw/zinc/75/64/80/1358756480.db2.gz NQDBPSRVDBZVIH-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085856445 1358824289 /nfs/dbraw/zinc/82/42/89/1358824289.db2.gz ZBRPJQNQISLVLL-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2=CCCCC2)CC1 ZINC001085902238 1358861189 /nfs/dbraw/zinc/86/11/89/1358861189.db2.gz XUXBQAASOJUSKH-HXUWFJFHSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183870026 1387363946 /nfs/dbraw/zinc/36/39/46/1387363946.db2.gz YIUPZZWRITZHQD-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085988126 1358938775 /nfs/dbraw/zinc/93/87/75/1358938775.db2.gz WGHLNMOPZJLAMA-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085988162 1358939434 /nfs/dbraw/zinc/93/94/34/1358939434.db2.gz WRSIMOZBSOIFJZ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086387044 1359084698 /nfs/dbraw/zinc/08/46/98/1359084698.db2.gz PULQLBPZHBRGRR-UFYCRDLUSA-N 2 0 349.563 3.029 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001086429160 1359095448 /nfs/dbraw/zinc/09/54/48/1359095448.db2.gz CQWKAHHNWVUSOC-SAABIXHNSA-N 2 0 340.471 3.013 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001086502562 1359121936 /nfs/dbraw/zinc/12/19/36/1359121936.db2.gz FMVYAJQJJNDVOM-MUGJNUQGSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086533498 1359134620 /nfs/dbraw/zinc/13/46/20/1359134620.db2.gz NVFCVWOQLGAVJN-MUGJNUQGSA-N 2 0 347.547 3.092 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086850118 1359213718 /nfs/dbraw/zinc/21/37/18/1359213718.db2.gz RDHLDDISOBRFLW-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086883156 1359220165 /nfs/dbraw/zinc/22/01/65/1359220165.db2.gz RTPSTANVDARKHG-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2 ZINC001086926969 1359252030 /nfs/dbraw/zinc/25/20/30/1359252030.db2.gz OTSOWLFVOPPEDY-OALUTQOASA-N 2 0 349.563 3.361 20 0 EGADRP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941119 1359263085 /nfs/dbraw/zinc/26/30/85/1359263085.db2.gz JUJNXERVAUGCAL-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CCCC1)CC2)[NH+](C)C ZINC001086943236 1359264695 /nfs/dbraw/zinc/26/46/95/1359264695.db2.gz PBUZMGPXRNNMDS-MJGOQNOKSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001087168495 1359312408 /nfs/dbraw/zinc/31/24/08/1359312408.db2.gz PQOMTMZDJTXMDL-BTHPGYMESA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCCC1)[NH+](C)C ZINC001087181176 1359314602 /nfs/dbraw/zinc/31/46/02/1359314602.db2.gz FIHCVGNUXLIWCD-NZSAHSFTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCC1CC1 ZINC001087602571 1359550938 /nfs/dbraw/zinc/55/09/38/1359550938.db2.gz UWOIKJKGKAGQNJ-GBESFXJTSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087620909 1359558466 /nfs/dbraw/zinc/55/84/66/1359558466.db2.gz BEOYBCTVZRJETJ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC[N@@H+]1CC=C(C)C ZINC001087636605 1359565728 /nfs/dbraw/zinc/56/57/28/1359565728.db2.gz ZIBOZQAZXCAPMF-OTWHNJEPSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021136 1359726435 /nfs/dbraw/zinc/72/64/35/1359726435.db2.gz VRIXTQQIJPWAPF-MSOLQXFVSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088323760 1359831022 /nfs/dbraw/zinc/83/10/22/1359831022.db2.gz YDHSJLJOJRZEDN-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001088337482 1359832459 /nfs/dbraw/zinc/83/24/59/1359832459.db2.gz GUVUFLDKANWJST-MRXNPFEDSA-N 2 0 328.460 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CCC3CC3)C2)CC1 ZINC001088408224 1359879663 /nfs/dbraw/zinc/87/96/63/1359879663.db2.gz QHTPVIMKVMRDQZ-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001088413201 1359884032 /nfs/dbraw/zinc/88/40/32/1359884032.db2.gz ADLLUGQXDPPBRH-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088617057 1359992380 /nfs/dbraw/zinc/99/23/80/1359992380.db2.gz WKVZGUPPIQHOCE-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621429 1359994317 /nfs/dbraw/zinc/99/43/17/1359994317.db2.gz DGAFGNZGBZGFGX-NEWSRXKRSA-N 2 0 337.552 3.265 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001088768872 1360036693 /nfs/dbraw/zinc/03/66/93/1360036693.db2.gz IFMRYNUKBSLCFN-UXPWSPDFSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088898351 1360097177 /nfs/dbraw/zinc/09/71/77/1360097177.db2.gz AYXSVPUAFBMATP-SQNIBIBYSA-N 2 0 337.552 3.265 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898888 1360098975 /nfs/dbraw/zinc/09/89/75/1360098975.db2.gz ZXBXUJIBAMWOMA-NZSAHSFTSA-N 2 0 337.552 3.265 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001089245906 1360280517 /nfs/dbraw/zinc/28/05/17/1360280517.db2.gz OJSJUKIGOHKPBB-MHJFOBGBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334513 1360347773 /nfs/dbraw/zinc/34/77/73/1360347773.db2.gz IJNOFRIONIBDEU-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407478 1360406113 /nfs/dbraw/zinc/40/61/13/1360406113.db2.gz ZYKNVVZEBWUQKB-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089420863 1360415094 /nfs/dbraw/zinc/41/50/94/1360415094.db2.gz QETYJHWNWMNWEC-MSOLQXFVSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446636 1360435411 /nfs/dbraw/zinc/43/54/11/1360435411.db2.gz YNBNLHHDFTZHLM-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089512004 1360483251 /nfs/dbraw/zinc/48/32/51/1360483251.db2.gz YASTXGUHEQJMFO-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536268 1360495255 /nfs/dbraw/zinc/49/52/55/1360495255.db2.gz APGLIHANHOVNMA-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649462 1360563056 /nfs/dbraw/zinc/56/30/56/1360563056.db2.gz JIFSYKWJUPZLHD-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001089663019 1360573341 /nfs/dbraw/zinc/57/33/41/1360573341.db2.gz HUMICGCKZFTKOC-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CCN(C(=O)OC(C)(C)C)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001184451457 1387464672 /nfs/dbraw/zinc/46/46/72/1387464672.db2.gz LPZVYYQEIQDALR-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCCC2CCC2)C1 ZINC001089732188 1360635892 /nfs/dbraw/zinc/63/58/92/1360635892.db2.gz OPNKANUVXAIUTM-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089734112 1360638313 /nfs/dbraw/zinc/63/83/13/1360638313.db2.gz ITAJBEVCJMQZHW-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001091144084 1360997637 /nfs/dbraw/zinc/99/76/37/1360997637.db2.gz HZWXUUAZFYABLV-MDCZIUGASA-N 2 0 348.450 3.194 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2cccnc2N(C)C)CC1)CC1CC1 ZINC001323942505 1387498654 /nfs/dbraw/zinc/49/86/54/1387498654.db2.gz YDFVMNOBWBKYFX-UHFFFAOYSA-N 2 0 344.547 3.482 20 0 EGADRP CC1CCC(C[NH2+][C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C2)CC1 ZINC001184628216 1387501341 /nfs/dbraw/zinc/50/13/41/1387501341.db2.gz FMKJKARVXVHLII-CTWPCTMYSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)CCCC1 ZINC001184628769 1387501468 /nfs/dbraw/zinc/50/14/68/1387501468.db2.gz QCACMJFSEOJMTE-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001184714023 1387517544 /nfs/dbraw/zinc/51/75/44/1387517544.db2.gz VMUBVNDQJUXUCZ-SJORKVTESA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184724714 1387521341 /nfs/dbraw/zinc/52/13/41/1387521341.db2.gz OOIYFBFZJHKSBW-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373046 1361582537 /nfs/dbraw/zinc/58/25/37/1361582537.db2.gz INIZEARUMKINLN-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094427070 1361797800 /nfs/dbraw/zinc/79/78/00/1361797800.db2.gz GFTSCYVRKSLXEI-VQIMIIECSA-N 2 0 349.544 3.194 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094585419 1361871036 /nfs/dbraw/zinc/87/10/36/1361871036.db2.gz VTCKPGHIDUHPQL-QKNQBKEWSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525623 1362161937 /nfs/dbraw/zinc/16/19/37/1362161937.db2.gz ZMWHPMPMUNHOQW-YRPNKDGESA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001095532634 1362163241 /nfs/dbraw/zinc/16/32/41/1362163241.db2.gz JTNMBAFRMLTVNG-ZRNYENFQSA-N 2 0 347.547 3.161 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001096012159 1362333908 /nfs/dbraw/zinc/33/39/08/1362333908.db2.gz NUELPHXHERMOSH-RNQOJCNYSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096105216 1362384695 /nfs/dbraw/zinc/38/46/95/1362384695.db2.gz WEGOPYAWIJWVHY-YDZRNGNQSA-N 2 0 335.536 3.017 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC1 ZINC001096237604 1362447344 /nfs/dbraw/zinc/44/73/44/1362447344.db2.gz IBSWGBUHCZLNDZ-AABGKKOBSA-N 2 0 347.547 3.020 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185030229 1387591505 /nfs/dbraw/zinc/59/15/05/1387591505.db2.gz JWPZOJJMANCWGN-PXEQJPNCSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001097063471 1362829793 /nfs/dbraw/zinc/82/97/93/1362829793.db2.gz MIJJNIFHXABHIP-ZRNYENFQSA-N 2 0 347.547 3.161 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001324340105 1387598838 /nfs/dbraw/zinc/59/88/38/1387598838.db2.gz QPHMSSDYPBKERS-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001098461814 1363332394 /nfs/dbraw/zinc/33/23/94/1363332394.db2.gz QIGCYZZDXIYFSG-YSTOQKLRSA-N 2 0 345.531 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCC(C)C)C3)C1 ZINC001098990806 1363560008 /nfs/dbraw/zinc/56/00/08/1363560008.db2.gz GESGDIODXKJBCF-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099031180 1363585364 /nfs/dbraw/zinc/58/53/64/1363585364.db2.gz QXTRCCMJPHPMRR-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198690 1363687684 /nfs/dbraw/zinc/68/76/84/1363687684.db2.gz DBVGWSPINPVMLR-ZEVQVBBLSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099275878 1363726690 /nfs/dbraw/zinc/72/66/90/1363726690.db2.gz KGQWDXDLXHJUGP-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099311099 1363744694 /nfs/dbraw/zinc/74/46/94/1363744694.db2.gz XRBPONOGYXHHBH-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099495763 1363820551 /nfs/dbraw/zinc/82/05/51/1363820551.db2.gz CKBQBUQVTHWSKQ-RDGPPVDQSA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001100407037 1364104289 /nfs/dbraw/zinc/10/42/89/1364104289.db2.gz VHRQEWRCSDTFFG-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537280 1364151349 /nfs/dbraw/zinc/15/13/49/1364151349.db2.gz NRHXPNSQYVKXEM-AATRIKPKSA-N 2 0 349.563 3.339 20 0 EGADRP CC(C)CCC[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100538108 1364151500 /nfs/dbraw/zinc/15/15/00/1364151500.db2.gz DWKSDJWRMBEOFK-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001100606474 1364187110 /nfs/dbraw/zinc/18/71/10/1364187110.db2.gz HODXVSGSZXXHBR-VHBXLISGSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2CC([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001100732859 1364239842 /nfs/dbraw/zinc/23/98/42/1364239842.db2.gz BHCBNYQLDUMLFK-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC([NH2+]CC[C@H](C)F)C1 ZINC001100856526 1364294330 /nfs/dbraw/zinc/29/43/30/1364294330.db2.gz INWPPSXWRPSEST-AOCRQIFASA-N 2 0 343.531 3.121 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccccc2C(C)C)C1 ZINC001100905068 1364324195 /nfs/dbraw/zinc/32/41/95/1364324195.db2.gz UWZHUUACRRTTAG-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP C[C@H]([NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001101024970 1364379932 /nfs/dbraw/zinc/37/99/32/1364379932.db2.gz PFWXQAQWTNVLBN-ZJRDLVKKSA-N 2 0 343.515 3.108 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001101025044 1364379979 /nfs/dbraw/zinc/37/99/79/1364379979.db2.gz SQFHBHIOOOEVGO-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001101036064 1364383747 /nfs/dbraw/zinc/38/37/47/1364383747.db2.gz HTTBOVFSOIJUHV-ABHNRTSZSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101066922 1364398316 /nfs/dbraw/zinc/39/83/16/1364398316.db2.gz SEPJIWMJZPKJPM-ARJAWSKDSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)(C)CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101066649 1364398318 /nfs/dbraw/zinc/39/83/18/1364398318.db2.gz AESDGZVOCGSHIG-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101267840 1364492395 /nfs/dbraw/zinc/49/23/95/1364492395.db2.gz UVXJMLJIDUZFFF-SBHAEUEKSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101285065 1364498701 /nfs/dbraw/zinc/49/87/01/1364498701.db2.gz MXMVFATWGZZQRV-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313664 1364506564 /nfs/dbraw/zinc/50/65/64/1364506564.db2.gz INZZBABJDQKYRA-QUCCMNQESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101540218 1364606757 /nfs/dbraw/zinc/60/67/57/1364606757.db2.gz AFAUNUZNNSQJDY-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101540217 1364607113 /nfs/dbraw/zinc/60/71/13/1364607113.db2.gz AFAUNUZNNSQJDY-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101548725 1364611829 /nfs/dbraw/zinc/61/18/29/1364611829.db2.gz GBGBMMIDERLQLR-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC(C(C)(C)C[NH2+]CCC3CC3)CC2)CCC1 ZINC001101548013 1364611951 /nfs/dbraw/zinc/61/19/51/1364611951.db2.gz ZMWYAMGKPVDZCJ-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001101580308 1364633191 /nfs/dbraw/zinc/63/31/91/1364633191.db2.gz RVQKXCITGUEVCG-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001101582163 1364634237 /nfs/dbraw/zinc/63/42/37/1364634237.db2.gz BMRLTBVMHQKIRR-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001101582327 1364634808 /nfs/dbraw/zinc/63/48/08/1364634808.db2.gz LTSRSVDRXDPAAX-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963174 1364792333 /nfs/dbraw/zinc/79/23/33/1364792333.db2.gz OYTKIWOQDNQRBR-FBYXPACISA-N 2 0 349.563 3.290 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102062188 1364829096 /nfs/dbraw/zinc/82/90/96/1364829096.db2.gz ZQRLVQSZMUCXSY-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102062187 1364829346 /nfs/dbraw/zinc/82/93/46/1364829346.db2.gz ZQRLVQSZMUCXSY-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102214752 1364937657 /nfs/dbraw/zinc/93/76/57/1364937657.db2.gz CEPDCKNZNNOPBV-JNVNVXKGSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185448658 1387719743 /nfs/dbraw/zinc/71/97/43/1387719743.db2.gz ZBBVMPUGSUZYBQ-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601407 1365131316 /nfs/dbraw/zinc/13/13/16/1365131316.db2.gz BPLPUCVCTQXMGM-AQNXPRMDSA-N 2 0 349.563 3.147 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103060487 1365359111 /nfs/dbraw/zinc/35/91/11/1365359111.db2.gz OTPJAXQFIAJWEB-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185515192 1387736369 /nfs/dbraw/zinc/73/63/69/1387736369.db2.gz CZXGSESQLZYUDL-IRXDYDNUSA-N 2 0 346.519 3.026 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001103086480 1365373782 /nfs/dbraw/zinc/37/37/82/1365373782.db2.gz FIEAPHYMKURBOE-AQNXPRMDSA-N 2 0 349.563 3.290 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380300 1365526018 /nfs/dbraw/zinc/52/60/18/1365526018.db2.gz OMFMDDRVRYTDCG-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H](C(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001103495766 1365597400 /nfs/dbraw/zinc/59/74/00/1365597400.db2.gz RXVBGJGIGDSDTO-QWFCFKBJSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001103664530 1365712627 /nfs/dbraw/zinc/71/26/27/1365712627.db2.gz HDUCFLIETOJLAJ-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCC1CCCCC1 ZINC001103999713 1365867694 /nfs/dbraw/zinc/86/76/94/1365867694.db2.gz IIIWWATUWNJTNN-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104311056 1365979353 /nfs/dbraw/zinc/97/93/53/1365979353.db2.gz PQQJDAXKMVCEFN-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104348740 1365982528 /nfs/dbraw/zinc/98/25/28/1365982528.db2.gz SKRQMBHMMZTNBX-FMABSTRRSA-N 2 0 337.552 3.147 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589064 1366089948 /nfs/dbraw/zinc/08/99/48/1366089948.db2.gz UBJUSKXJWDRMRZ-ILENRSAMSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C[NH2+]CC1CCCC1 ZINC001185740685 1387787391 /nfs/dbraw/zinc/78/73/91/1387787391.db2.gz DJEXSBKFKXNTIG-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682421 1366129826 /nfs/dbraw/zinc/12/98/26/1366129826.db2.gz PNPWYCKWMRHTQZ-KZNAEPCWSA-N 2 0 339.568 3.085 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682422 1366129931 /nfs/dbraw/zinc/12/99/31/1366129931.db2.gz PNPWYCKWMRHTQZ-RCCFBDPRSA-N 2 0 339.568 3.085 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185751351 1387790072 /nfs/dbraw/zinc/79/00/72/1387790072.db2.gz PFPCKHCTQUWBKX-ZWKOTPCHSA-N 2 0 345.531 3.092 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104937790 1366231292 /nfs/dbraw/zinc/23/12/92/1366231292.db2.gz HQLCOSCMSKTCQZ-FAPWYTRCSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001105059276 1366299433 /nfs/dbraw/zinc/29/94/33/1366299433.db2.gz UNRKLVYFYUWGSQ-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062278 1366301216 /nfs/dbraw/zinc/30/12/16/1366301216.db2.gz KOAULILRSRNJFB-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396822 1366445844 /nfs/dbraw/zinc/44/58/44/1366445844.db2.gz WWYVYZSGUYZPRA-FQEVSTJZSA-N 2 0 349.563 3.076 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCC1 ZINC001105541565 1366520365 /nfs/dbraw/zinc/52/03/65/1366520365.db2.gz DOSQCVRBYATINO-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105557042 1366529645 /nfs/dbraw/zinc/52/96/45/1366529645.db2.gz VWLNHXGQSWDKCH-RBUKOAKNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105571932 1366538724 /nfs/dbraw/zinc/53/87/24/1366538724.db2.gz CDUKTYROQDHNJY-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105572603 1366539137 /nfs/dbraw/zinc/53/91/37/1366539137.db2.gz WNJRDULXVOEKDI-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105575266 1366540496 /nfs/dbraw/zinc/54/04/96/1366540496.db2.gz WUDXTMJEGSXFFM-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105577334 1366541476 /nfs/dbraw/zinc/54/14/76/1366541476.db2.gz UOBPMXMMUWMVOQ-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133049 1366613843 /nfs/dbraw/zinc/61/38/43/1366613843.db2.gz DQWRLMVSVJSMLW-GUDVDZBRSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357953 1366668449 /nfs/dbraw/zinc/66/84/49/1366668449.db2.gz QQIGAXWNEDECDF-PFRNKHFKSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001106479533 1366707770 /nfs/dbraw/zinc/70/77/70/1366707770.db2.gz FNGUIGHYZGIGOR-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599456 1366751030 /nfs/dbraw/zinc/75/10/30/1366751030.db2.gz IQQMLJZMRNHFMH-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660337 1366767900 /nfs/dbraw/zinc/76/79/00/1366767900.db2.gz JTZOFASKWCGDBQ-BHIYHBOVSA-N 2 0 339.568 3.227 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106729748 1366782850 /nfs/dbraw/zinc/78/28/50/1366782850.db2.gz XNLJQEABENDMCH-VJQBDMSCSA-N 2 0 349.563 3.290 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106796800 1366800250 /nfs/dbraw/zinc/80/02/50/1366800250.db2.gz ABFXABBGBUKWSR-KJYWSYJISA-N 2 0 349.563 3.149 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106869141 1366820570 /nfs/dbraw/zinc/82/05/70/1366820570.db2.gz STFATAWGIMOACZ-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107028910 1366860875 /nfs/dbraw/zinc/86/08/75/1366860875.db2.gz JIYJGWDZYNPFDH-SQGPQFPESA-N 2 0 345.531 3.092 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107034235 1366861733 /nfs/dbraw/zinc/86/17/33/1366861733.db2.gz QVPQVRLAOQVPTE-IEBWSBKVSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436409 1366962969 /nfs/dbraw/zinc/96/29/69/1366962969.db2.gz YMXCCXXOGGOMCN-QWFCFKBJSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439389 1366963860 /nfs/dbraw/zinc/96/38/60/1366963860.db2.gz YXEBRJWBIMHAKY-UYAOXDASSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cccc(-c2ccsc2)c1 ZINC001189384894 1367008729 /nfs/dbraw/zinc/00/87/29/1367008729.db2.gz BRYZLMVKBLQSGK-UHFFFAOYSA-N 2 0 344.484 3.093 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524162 1367017586 /nfs/dbraw/zinc/01/75/86/1367017586.db2.gz KWWKVSVEWMDGHT-WBWXQYNJSA-N 2 0 349.563 3.435 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554107 1367039907 /nfs/dbraw/zinc/03/99/07/1367039907.db2.gz ZOYWNQBURGMSDC-UECNCYPVSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001107582241 1367056722 /nfs/dbraw/zinc/05/67/22/1367056722.db2.gz ZBWNHDMOBFIMEX-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107614677 1367073801 /nfs/dbraw/zinc/07/38/01/1367073801.db2.gz HDRHEOQYGFSQKX-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473907 1367145635 /nfs/dbraw/zinc/14/56/35/1367145635.db2.gz JRQFVWISBMPKPP-PUBDRRPBSA-N 2 0 347.547 3.185 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485146 1367153080 /nfs/dbraw/zinc/15/30/80/1367153080.db2.gz MTAWPKJSNTYACR-AFUKVVIOSA-N 2 0 345.531 3.083 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084902 1367169799 /nfs/dbraw/zinc/16/97/99/1367169799.db2.gz TYXVCSMUFKQIAN-JNVNVXKGSA-N 2 0 335.536 3.138 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520035 1367173666 /nfs/dbraw/zinc/17/36/66/1367173666.db2.gz FULSDSWGZCWTSB-NEWSRXKRSA-N 2 0 340.471 3.250 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178136 1367193107 /nfs/dbraw/zinc/19/31/07/1367193107.db2.gz TXOKFQSUZHUSDT-AZUAARDMSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560906 1367198154 /nfs/dbraw/zinc/19/81/54/1367198154.db2.gz XJFKXCLIDZMDTI-QYZOEREBSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213081 1367200514 /nfs/dbraw/zinc/20/05/14/1367200514.db2.gz VIBBRFAOIWZOFL-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324750 1367227131 /nfs/dbraw/zinc/22/71/31/1367227131.db2.gz NMNOINXPMOEZCG-INPAECQJSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481295 1367273851 /nfs/dbraw/zinc/27/38/51/1367273851.db2.gz SOAONVMWQDLDAN-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190491404 1367275814 /nfs/dbraw/zinc/27/58/14/1367275814.db2.gz GWBSQWRHIVGXBR-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001109688612 1367283027 /nfs/dbraw/zinc/28/30/27/1367283027.db2.gz XWDXQPUNHXGUDK-FUMNGEBKSA-N 2 0 347.547 3.185 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190652783 1367316927 /nfs/dbraw/zinc/31/69/27/1367316927.db2.gz AOHVZOOXDALACE-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190652784 1367317940 /nfs/dbraw/zinc/31/79/40/1367317940.db2.gz AOHVZOOXDALACE-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C)C(C)C ZINC001109860083 1367364033 /nfs/dbraw/zinc/36/40/33/1367364033.db2.gz KGYIXTQVLMHRQQ-XWSJACJDSA-N 2 0 337.552 3.120 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860228 1367364069 /nfs/dbraw/zinc/36/40/69/1367364069.db2.gz RDDVVULRSWWCEH-SFNPZSGNSA-N 2 0 349.563 3.431 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163703 1367436867 /nfs/dbraw/zinc/43/68/67/1367436867.db2.gz ZTLKNTWYJGEQPK-SJLPKXTDSA-N 2 0 342.487 3.163 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001110014651 1367458351 /nfs/dbraw/zinc/45/83/51/1367458351.db2.gz BPGSRJMWISYZFA-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001110017862 1367460002 /nfs/dbraw/zinc/46/00/02/1367460002.db2.gz PZAUJEJPWYXSAX-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114738 1367508031 /nfs/dbraw/zinc/50/80/31/1367508031.db2.gz CYRHDPXKDHYRQC-QYZOEREBSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)CCCC1 ZINC001191562168 1367528374 /nfs/dbraw/zinc/52/83/74/1367528374.db2.gz ZGGIPRHVCKBPFT-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108734409 1367565660 /nfs/dbraw/zinc/56/56/60/1367565660.db2.gz SHCWHHMKMYOGOX-FHWLQOOXSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046676 1367674565 /nfs/dbraw/zinc/67/45/65/1367674565.db2.gz OKKKQTSSPPIYBU-IBGZPJMESA-N 2 0 345.531 3.185 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001192317694 1367748476 /nfs/dbraw/zinc/74/84/76/1367748476.db2.gz ULZHHRHMQVPHEY-RBUKOAKNSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192656950 1367843493 /nfs/dbraw/zinc/84/34/93/1367843493.db2.gz VYCMVUUALMZVGK-OALUTQOASA-N 2 0 337.552 3.364 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001192946330 1367908850 /nfs/dbraw/zinc/90/88/50/1367908850.db2.gz AQEXDPBHBKETRX-OALUTQOASA-N 2 0 345.531 3.239 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1)C1CCC1 ZINC001110673854 1367913813 /nfs/dbraw/zinc/91/38/13/1367913813.db2.gz WHWMYFSCDJQRCU-AQNXPRMDSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001110683108 1367925485 /nfs/dbraw/zinc/92/54/85/1367925485.db2.gz QOAWXHKDIXVLAG-WTGUMLROSA-N 2 0 347.547 3.163 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206259 1367965723 /nfs/dbraw/zinc/96/57/23/1367965723.db2.gz YWIKAKKBMMSEFW-AQKVLALTSA-N 2 0 349.563 3.386 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561145 1368062238 /nfs/dbraw/zinc/06/22/38/1368062238.db2.gz WOTNABXSXOSFAA-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193600938 1368070721 /nfs/dbraw/zinc/07/07/21/1368070721.db2.gz OXTLEZNJFAVGFF-OALUTQOASA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001193600763 1368071157 /nfs/dbraw/zinc/07/11/57/1368071157.db2.gz LCRVIUJYPQSJJG-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001110979933 1368131631 /nfs/dbraw/zinc/13/16/31/1368131631.db2.gz JMBJHUKVLDDENE-CUDHKJQZSA-N 2 0 343.515 3.038 20 0 EGADRP C[C@@H](c1ccccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979808 1368132054 /nfs/dbraw/zinc/13/20/54/1368132054.db2.gz DVUZJMRSKZKEMV-JFTQMJAMSA-N 2 0 349.906 3.074 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)[NH+](CC)CC ZINC001111018291 1368143734 /nfs/dbraw/zinc/14/37/34/1368143734.db2.gz PQFCSAFAHKCSDW-ZRNYENFQSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC ZINC001111160013 1368170374 /nfs/dbraw/zinc/17/03/74/1368170374.db2.gz ALNPQSGOOXIZKL-MKXGPGLRSA-N 2 0 337.552 3.266 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081481 1368179142 /nfs/dbraw/zinc/17/91/42/1368179142.db2.gz PYSJNNOMJYOGMS-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273993 1368221911 /nfs/dbraw/zinc/22/19/11/1368221911.db2.gz CQGFNLAMDYKFGE-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297721 1368257628 /nfs/dbraw/zinc/25/76/28/1368257628.db2.gz QWRDRVMVIDKTNU-AFYVEPGGSA-N 2 0 343.515 3.201 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](CC)c1ccccc1 ZINC001111312749 1368262815 /nfs/dbraw/zinc/26/28/15/1368262815.db2.gz WBESRURGUWPXCA-WTGUMLROSA-N 2 0 343.515 3.201 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467444 1368311105 /nfs/dbraw/zinc/31/11/05/1368311105.db2.gz JDDUXVJCOBUNQP-XWHCPSPJSA-N 2 0 347.547 3.185 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459540 1368312185 /nfs/dbraw/zinc/31/21/85/1368312185.db2.gz CBMRQERZOVOHPY-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111460502 1368312272 /nfs/dbraw/zinc/31/22/72/1368312272.db2.gz WEZFEFLXKSBMGK-NMLBUPMWSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001186412494 1387937129 /nfs/dbraw/zinc/93/71/29/1387937129.db2.gz NIKWROMKLDTZQN-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782402 1368459478 /nfs/dbraw/zinc/45/94/78/1368459478.db2.gz HIADKJRWOKNIQD-ZJOUEHCJSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868530 1368516373 /nfs/dbraw/zinc/51/63/73/1368516373.db2.gz BIQMLBBUHPLJHD-RUGMWBQTSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163664 1368559795 /nfs/dbraw/zinc/55/97/95/1368559795.db2.gz RJPAPBFNGGZEAO-WUUFJKRQSA-N 2 0 347.547 3.284 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926928 1368563539 /nfs/dbraw/zinc/56/35/39/1368563539.db2.gz QEHZDOYJJJKEJT-KDCRJJDASA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001111952557 1368572080 /nfs/dbraw/zinc/57/20/80/1368572080.db2.gz NVLGQQFVFDLZCX-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1c(C(=O)N2CCC[N@@H+](CCCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001196382689 1368603462 /nfs/dbraw/zinc/60/34/62/1368603462.db2.gz RTADAYHTUJHCBK-UHFFFAOYSA-N 2 0 342.487 3.227 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196656576 1368657128 /nfs/dbraw/zinc/65/71/28/1368657128.db2.gz RLZJFKGGSLPRDN-WAYWQWQTSA-N 2 0 335.536 3.142 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518276 1368911336 /nfs/dbraw/zinc/91/13/36/1368911336.db2.gz ALRLSYXWSZMRBV-RXVVDRJESA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001112567526 1368930989 /nfs/dbraw/zinc/93/09/89/1368930989.db2.gz UYQPPSLOTWBHRB-GXGIYUIGSA-N 2 0 349.563 3.293 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001186605304 1387984242 /nfs/dbraw/zinc/98/42/42/1387984242.db2.gz NNZPJSIVQBQGRO-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C\CC[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113159079 1369233904 /nfs/dbraw/zinc/23/39/04/1369233904.db2.gz WSJBNTGDVLUQHH-SREVYHEPSA-N 2 0 335.536 3.142 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[NH+](CCC3=CCCCC3)CC2)CCCC1 ZINC001113160462 1369235327 /nfs/dbraw/zinc/23/53/27/1369235327.db2.gz DMJJAJAGQXAOIN-UHFFFAOYSA-N 2 0 347.547 3.286 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577999 1369393663 /nfs/dbraw/zinc/39/36/63/1369393663.db2.gz JNELMWDLDRIYNJ-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001200621297 1369401441 /nfs/dbraw/zinc/40/14/41/1369401441.db2.gz HJNYKOIIRNSECT-ICSRJNTNSA-N 2 0 330.516 3.346 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)ncn3C)CC1 ZINC001200872313 1369441572 /nfs/dbraw/zinc/44/15/72/1369441572.db2.gz MVMDVAGUWSZPKS-UHFFFAOYSA-N 2 0 328.504 3.421 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH+]2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001113561609 1369494841 /nfs/dbraw/zinc/49/48/41/1369494841.db2.gz JGLTUVFMRYMICI-LJQANCHMSA-N 2 0 345.531 3.241 20 0 EGADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201230531 1369499807 /nfs/dbraw/zinc/49/98/07/1369499807.db2.gz UBPJLKKGPJFONK-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201231001 1369500728 /nfs/dbraw/zinc/50/07/28/1369500728.db2.gz YTQNRWJJNGIROJ-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP CCc1cccc(C[NH2+]C2CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC2)c1 ZINC001201321598 1369518849 /nfs/dbraw/zinc/51/88/49/1369518849.db2.gz QGGIECSPXZVRHT-UHFFFAOYSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001201392646 1369535104 /nfs/dbraw/zinc/53/51/04/1369535104.db2.gz CCFQPJYNRCAACA-UHFFFAOYSA-N 2 0 342.487 3.417 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201462787 1369550004 /nfs/dbraw/zinc/55/00/04/1369550004.db2.gz YUXJOSQTZUILBK-INIZCTEOSA-N 2 0 342.487 3.211 20 0 EGADRP Cc1nc2ccccc2cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201650908 1369597484 /nfs/dbraw/zinc/59/74/84/1369597484.db2.gz ITGLBYPNZKVDKI-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793796 1369624953 /nfs/dbraw/zinc/62/49/53/1369624953.db2.gz MJOSTASMKZZBPT-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001202316255 1369737233 /nfs/dbraw/zinc/73/72/33/1369737233.db2.gz SSQYTIXWUSDBCO-QGZVFWFLSA-N 2 0 345.531 3.403 20 0 EGADRP C[C@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001202765111 1369883635 /nfs/dbraw/zinc/88/36/35/1369883635.db2.gz SPRUGHZGYPTFGA-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001202765113 1369883972 /nfs/dbraw/zinc/88/39/72/1369883972.db2.gz SPRUGHZGYPTFGA-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001186980710 1388035230 /nfs/dbraw/zinc/03/52/30/1388035230.db2.gz CWKNQFVMZMVPOB-BBIZLLLXSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)N(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)C[NH3+] ZINC001186947198 1388032635 /nfs/dbraw/zinc/03/26/35/1388032635.db2.gz YIGLYHWGRUAGFQ-UHFFFAOYSA-N 2 0 331.504 3.260 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)C(C)C ZINC001202991734 1369947949 /nfs/dbraw/zinc/94/79/49/1369947949.db2.gz QEGSWKXGVUHBKF-GOSISDBHSA-N 2 0 339.568 3.370 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C23CCC3)CCC1 ZINC001203030562 1369960917 /nfs/dbraw/zinc/96/09/17/1369960917.db2.gz ZRNFYNRTIYSOPZ-IRXDYDNUSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1)C1CC1 ZINC001325744000 1388039433 /nfs/dbraw/zinc/03/94/33/1388039433.db2.gz RPQPLALUSBHLRN-SLFFLAALSA-N 2 0 341.499 3.436 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)C1CC1 ZINC001325743620 1388039479 /nfs/dbraw/zinc/03/94/79/1388039479.db2.gz PVIWTSXUYJJKQD-GUDVDZBRSA-N 2 0 327.472 3.045 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115321 1369988233 /nfs/dbraw/zinc/98/82/33/1369988233.db2.gz UFZAKLZVZMGEFP-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034751 1388043309 /nfs/dbraw/zinc/04/33/09/1388043309.db2.gz NAJLUUBLNPUJGD-HEVSSNLLSA-N 2 0 343.515 3.226 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230643 1370032876 /nfs/dbraw/zinc/03/28/76/1370032876.db2.gz OVZKJVOEQQRFCJ-MSOLQXFVSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203251455 1370041785 /nfs/dbraw/zinc/04/17/85/1370041785.db2.gz VVYLEQLCBIAYFI-ROUUACIJSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203323439 1370082359 /nfs/dbraw/zinc/08/23/59/1370082359.db2.gz DGHGCBGCGCMNRT-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203324158 1370082723 /nfs/dbraw/zinc/08/27/23/1370082723.db2.gz FRFCLWAROBNMGY-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425098 1370120054 /nfs/dbraw/zinc/12/00/54/1370120054.db2.gz AFTORDFMHIGOPN-IRXDYDNUSA-N 2 0 337.552 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001203442019 1370128306 /nfs/dbraw/zinc/12/83/06/1370128306.db2.gz BVNIYFUDZBUUEI-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203554889 1370167621 /nfs/dbraw/zinc/16/76/21/1370167621.db2.gz GNXBBQHFFQUZSR-RTBURBONSA-N 2 0 349.563 3.170 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203652545 1370201861 /nfs/dbraw/zinc/20/18/61/1370201861.db2.gz VMPOCZCWJQYDTD-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1ccccc1C[NH+]1CCC2(CCCN2Cc2ccn(C)n2)CC1 ZINC001203704108 1370228345 /nfs/dbraw/zinc/22/83/45/1370228345.db2.gz FFLIEWQESXVKBW-UHFFFAOYSA-N 2 0 338.499 3.359 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770850 1370258367 /nfs/dbraw/zinc/25/83/67/1370258367.db2.gz JGUARXBQTZKVGM-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823562 1370279345 /nfs/dbraw/zinc/27/93/45/1370279345.db2.gz LVUFSRDGEMVSAX-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC([NH2+]CCCCCF)CC2)c1 ZINC001203888916 1370299877 /nfs/dbraw/zinc/29/98/77/1370299877.db2.gz RQXITIHAQLRTTA-UHFFFAOYSA-N 2 0 349.494 3.082 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001203904529 1370308702 /nfs/dbraw/zinc/30/87/02/1370308702.db2.gz ZMOMVDNLQGOPCK-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC001204243496 1370419273 /nfs/dbraw/zinc/41/92/73/1370419273.db2.gz VTNZLYCMFKZXDQ-YZGWKJHDSA-N 2 0 325.456 3.407 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC(C(F)F)CC2)cc1 ZINC001204270265 1370428204 /nfs/dbraw/zinc/42/82/04/1370428204.db2.gz RPAJUPYKFXJVEP-UHFFFAOYSA-N 2 0 326.431 3.494 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115451021 1370459347 /nfs/dbraw/zinc/45/93/47/1370459347.db2.gz XROOXHVBKCDDLB-DUMMIQTOSA-N 2 0 335.536 3.236 20 0 EGADRP Cc1c(F)cccc1CN1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001204509365 1370497484 /nfs/dbraw/zinc/49/74/84/1370497484.db2.gz YYDCEEYQIMATPT-FQEVSTJZSA-N 2 0 334.479 3.457 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)cc(C)c1)C2 ZINC001204522363 1370502972 /nfs/dbraw/zinc/50/29/72/1370502972.db2.gz WYWGHQQEMXREFU-YADHBBJMSA-N 2 0 342.527 3.484 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115535300 1370532322 /nfs/dbraw/zinc/53/23/22/1370532322.db2.gz QEVHDYJUQGSGJZ-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540465 1370537090 /nfs/dbraw/zinc/53/70/90/1370537090.db2.gz LZFWOMGSHQSJKE-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544815 1370542025 /nfs/dbraw/zinc/54/20/25/1370542025.db2.gz CHBBGAAUYAUSCG-OXUXSNCKSA-N 2 0 349.563 3.482 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCC(C)C)CCCCC2)CC[N@@H+]1C ZINC001115547420 1370544039 /nfs/dbraw/zinc/54/40/39/1370544039.db2.gz YAWFDJAYCXABHX-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727715 1370556642 /nfs/dbraw/zinc/55/66/42/1370556642.db2.gz LDZFRIUWEIDUTC-UHFFFAOYSA-N 2 0 344.499 3.262 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115559567 1370559946 /nfs/dbraw/zinc/55/99/46/1370559946.db2.gz BGJHQJGHYMLLEG-UHFFFAOYSA-N 2 0 349.544 3.242 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115563356 1370563020 /nfs/dbraw/zinc/56/30/20/1370563020.db2.gz SDADRDMQWROZID-IRXDYDNUSA-N 2 0 341.515 3.018 20 0 EGADRP C[C@@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H](C)CN1Cc1ccccc1 ZINC001204896081 1370599243 /nfs/dbraw/zinc/59/92/43/1370599243.db2.gz GBVZLLIXFYNOFC-MOPGFXCFSA-N 2 0 341.543 3.361 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([NH3+])CC3)s2)cc1OC ZINC001205110303 1370652653 /nfs/dbraw/zinc/65/26/53/1370652653.db2.gz RFJMFLIUPNECRH-AWEZNQCLSA-N 2 0 347.484 3.141 20 0 EGADRP C[C@H]1CN(Cc2ccc(F)cc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205145720 1370662689 /nfs/dbraw/zinc/66/26/89/1370662689.db2.gz COQZXYDOTGUPHB-MAUKXSAKSA-N 2 0 328.431 3.431 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccccc2Oc2ccccc2)CC1 ZINC001205220027 1370685136 /nfs/dbraw/zinc/68/51/36/1370685136.db2.gz IOFSMSZUAWNBAP-FQEVSTJZSA-N 2 0 326.440 3.155 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CCCCCF)CCCCC1)[NH+](C)C ZINC001115715572 1370695281 /nfs/dbraw/zinc/69/52/81/1370695281.db2.gz NPHWCTOOUCEWLG-QGZVFWFLSA-N 2 0 343.531 3.121 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC001205255972 1370697953 /nfs/dbraw/zinc/69/79/53/1370697953.db2.gz SWFSIEZXHDHOIG-UHFFFAOYSA-N 2 0 331.435 3.280 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264303 1370700672 /nfs/dbraw/zinc/70/06/72/1370700672.db2.gz JMIZXDAHYSUGEC-FQEVSTJZSA-N 2 0 326.488 3.252 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205270932 1370702282 /nfs/dbraw/zinc/70/22/82/1370702282.db2.gz COHLBNGHVGMEFT-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730059 1370712386 /nfs/dbraw/zinc/71/23/86/1370712386.db2.gz BZBWVJBZJOACTE-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205317724 1370720057 /nfs/dbraw/zinc/72/00/57/1370720057.db2.gz PPYUFQJOFHTQEP-YOEHRIQHSA-N 2 0 329.488 3.329 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC001205318344 1370720164 /nfs/dbraw/zinc/72/01/64/1370720164.db2.gz UJYYHMUTEGVXSA-CABCVRRESA-N 2 0 328.456 3.274 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420535 1370749179 /nfs/dbraw/zinc/74/91/79/1370749179.db2.gz YXDJICVBTNKORE-UEKDZROGSA-N 2 0 335.536 3.045 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)C(C)C ZINC001115775883 1370758661 /nfs/dbraw/zinc/75/86/61/1370758661.db2.gz BWPCTHMYCRSZDM-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205483404 1370768766 /nfs/dbraw/zinc/76/87/66/1370768766.db2.gz BXFOOWOPWJRUED-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1)[NH+](C)C ZINC001205515882 1370777871 /nfs/dbraw/zinc/77/78/71/1370777871.db2.gz FFMXOEWFUAYETA-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205558001 1370791516 /nfs/dbraw/zinc/79/15/16/1370791516.db2.gz AFEXBFGOUISRFE-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP Cc1cccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Br ZINC001205570506 1370795177 /nfs/dbraw/zinc/79/51/77/1370795177.db2.gz KSNFHHVLIOFSIF-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP Fc1cc(-c2ccc(N3CC[NH2+]CC3)cc2)ccc1[C@@H]1CCC[NH2+]1 ZINC001205583328 1370800273 /nfs/dbraw/zinc/80/02/73/1370800273.db2.gz WULZTHZSRRVQFL-FQEVSTJZSA-N 2 0 325.431 3.327 20 0 EGADRP CC(C)Oc1c(F)ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205592589 1370804069 /nfs/dbraw/zinc/80/40/69/1370804069.db2.gz WRTLQUVJWORYPF-QGZVFWFLSA-N 2 0 330.394 3.405 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccc(F)c2Br)CC[C@H]1C[NH3+] ZINC001205616907 1370812014 /nfs/dbraw/zinc/81/20/14/1370812014.db2.gz HNIGPISZEHLTNB-RYUDHWBXSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC[C@@H]1C[NH3+] ZINC001205636876 1370822080 /nfs/dbraw/zinc/82/20/80/1370822080.db2.gz FUYSOYPPCHRHNE-FXAWDEMLSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@H]1CC[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC[C@H]1C[NH3+] ZINC001205652440 1370828585 /nfs/dbraw/zinc/82/85/85/1370828585.db2.gz PPYOFZIMUYPARK-RYUDHWBXSA-N 2 0 340.393 3.389 20 0 EGADRP COc1cccc(Br)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651632 1370829213 /nfs/dbraw/zinc/82/92/13/1370829213.db2.gz HSTPAHFUXXNIPQ-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cn2)CC[C@@H]1C[NH3+] ZINC001205653779 1370830289 /nfs/dbraw/zinc/83/02/89/1370830289.db2.gz VKUQMKLILQEIRA-PKOBYXMFSA-N 2 0 339.483 3.467 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001205763509 1370863792 /nfs/dbraw/zinc/86/37/92/1370863792.db2.gz SAJHBJISUGJDEI-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)CCCC1 ZINC001205763541 1370864028 /nfs/dbraw/zinc/86/40/28/1370864028.db2.gz SKKSHVDWMQUVAN-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001205793662 1370872911 /nfs/dbraw/zinc/87/29/11/1370872911.db2.gz XJCOBLSHEFBZRV-UHFFFAOYSA-N 2 0 336.483 3.273 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205854498 1370892641 /nfs/dbraw/zinc/89/26/41/1370892641.db2.gz WTYUSEFMXRQMHL-WAYWQWQTSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981697 1370928998 /nfs/dbraw/zinc/92/89/98/1370928998.db2.gz FLXRFPKUYKAAIW-GIVPXCGWSA-N 3 0 329.532 3.205 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1OC ZINC001205992527 1370932079 /nfs/dbraw/zinc/93/20/79/1370932079.db2.gz DZSIQZGMXLNCLN-QWHCGFSZSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001116540934 1370933574 /nfs/dbraw/zinc/93/35/74/1370933574.db2.gz UTYBVPMTEPHBMA-KRWDZBQOSA-N 2 0 349.588 3.444 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc(Br)c2F)CCC[C@@H]1C[NH3+] ZINC001206004744 1370935304 /nfs/dbraw/zinc/93/53/04/1370935304.db2.gz UVXWSCFUDJTTOV-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CCc4c3cccc4F)CC2)CC1 ZINC001116581829 1370941078 /nfs/dbraw/zinc/94/10/78/1370941078.db2.gz REYICCGHKRPSKU-FQEVSTJZSA-N 2 0 345.506 3.163 20 0 EGADRP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CCC[C@H]1C[NH3+] ZINC001206028774 1370943423 /nfs/dbraw/zinc/94/34/23/1370943423.db2.gz ZALPYBZBGZCQIA-STQMWFEESA-N 2 0 334.414 3.162 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCC[C@@H]1C[NH3+] ZINC001206036657 1370945031 /nfs/dbraw/zinc/94/50/31/1370945031.db2.gz NGMKWUZKVATPKN-YLJYHZDGSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cn2)CCC[C@@H]1C[NH3+] ZINC001206036565 1370945059 /nfs/dbraw/zinc/94/50/59/1370945059.db2.gz LLFRWLAQKRQSPB-IEBWSBKVSA-N 2 0 339.483 3.467 20 0 EGADRP CN(CCC[N@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1)CC[NH+](C)C ZINC001206135225 1370968441 /nfs/dbraw/zinc/96/84/41/1370968441.db2.gz FXBISVVZKDDFBN-LEWJYISDSA-N 2 0 331.548 3.312 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](CCc2ccccc2Br)CC1 ZINC001206293940 1371014298 /nfs/dbraw/zinc/01/42/98/1371014298.db2.gz HYUWGTKCTQAMHJ-MRXNPFEDSA-N 2 0 325.294 3.443 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001206297639 1371015236 /nfs/dbraw/zinc/01/52/36/1371015236.db2.gz ZBNCWKZFBNOAAZ-NHCUHLMSSA-N 2 0 329.532 3.492 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(O)c2Br)CC1 ZINC001206310854 1371017950 /nfs/dbraw/zinc/01/79/50/1371017950.db2.gz DLAVNZNHPASAIY-HNNXBMFYSA-N 2 0 327.266 3.106 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(O)cc(Br)c2)CC1 ZINC001206319156 1371019934 /nfs/dbraw/zinc/01/99/34/1371019934.db2.gz YPOWJMSAGKUKDP-HNNXBMFYSA-N 2 0 327.266 3.106 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCC[C@](C)(C[NH3+])CC3)c[nH]c2c1 ZINC001206337625 1371026668 /nfs/dbraw/zinc/02/66/68/1371026668.db2.gz UPZWDNUPKUSFIH-FQEVSTJZSA-N 2 0 343.471 3.296 20 0 EGADRP CCOC(OCC)c1ccc(CN2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206370613 1371035576 /nfs/dbraw/zinc/03/55/76/1371035576.db2.gz NQKQZAQPSLRDGF-LJQANCHMSA-N 2 0 338.467 3.411 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206488473 1371070967 /nfs/dbraw/zinc/07/09/67/1371070967.db2.gz UVSQHVMOBKOZKI-WAYWQWQTSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)Sc1nc2sccn2c1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506725 1371076593 /nfs/dbraw/zinc/07/65/93/1371076593.db2.gz NBJUQSQEZCWQCE-UHFFFAOYSA-N 2 0 338.546 3.457 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550173 1371091465 /nfs/dbraw/zinc/09/14/65/1371091465.db2.gz XAGMRWSZKHGSIF-FQEVSTJZSA-N 2 0 326.488 3.440 20 0 EGADRP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccccc2Oc2cnccn2)C1 ZINC001206575834 1371098802 /nfs/dbraw/zinc/09/88/02/1371098802.db2.gz ZKSROBRMWDNZFQ-LJQANCHMSA-N 2 0 326.444 3.220 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CCC(C)C)CC1 ZINC001206621919 1371110447 /nfs/dbraw/zinc/11/04/47/1371110447.db2.gz LGXUEVUCDJGZRO-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206809620 1371176221 /nfs/dbraw/zinc/17/62/21/1371176221.db2.gz LZJVUDCCWOBEIR-CVEARBPZSA-N 2 0 325.456 3.316 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001206869101 1371197738 /nfs/dbraw/zinc/19/77/38/1371197738.db2.gz RPDSQURVJSFJAY-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP c1ccc(N2CCCC2)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001118568197 1371199657 /nfs/dbraw/zinc/19/96/57/1371199657.db2.gz MROWWBWREOBMKR-LJQANCHMSA-N 2 0 327.516 3.498 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206889154 1371208717 /nfs/dbraw/zinc/20/87/17/1371208717.db2.gz CNGSLYXEDWDYOP-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206947663 1371240147 /nfs/dbraw/zinc/24/01/47/1371240147.db2.gz DQFFPLAXPLSAGX-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952357 1371242659 /nfs/dbraw/zinc/24/26/59/1371242659.db2.gz LUYFYRYYSMVBGV-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001206954653 1371244338 /nfs/dbraw/zinc/24/43/38/1371244338.db2.gz QULPBBOTGKGIQD-INIZCTEOSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC001206954399 1371244519 /nfs/dbraw/zinc/24/45/19/1371244519.db2.gz IARJQNDOIKCORA-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001206954831 1371244626 /nfs/dbraw/zinc/24/46/26/1371244626.db2.gz ZQKCVBOOTMTSMS-INIZCTEOSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206968744 1371251925 /nfs/dbraw/zinc/25/19/25/1371251925.db2.gz WYGYFUGWTJZNCX-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP O=c1[nH]cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207012846 1371266555 /nfs/dbraw/zinc/26/65/55/1371266555.db2.gz ZEJKIRGEVUFORA-MOPGFXCFSA-N 2 0 337.467 3.131 20 0 EGADRP CC[NH+](CC)CCN1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC001207124785 1371301443 /nfs/dbraw/zinc/30/14/43/1371301443.db2.gz BTWTWYPGXIEUNI-UHFFFAOYSA-N 2 0 325.447 3.084 20 0 EGADRP CCN1CCO[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185543 1371322874 /nfs/dbraw/zinc/32/28/74/1371322874.db2.gz JOXCEOIGGOTGOU-RNIPGJKVSA-N 2 0 334.891 3.096 20 0 EGADRP CCN1CCO[C@@H]2C[N@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185541 1371323406 /nfs/dbraw/zinc/32/34/06/1371323406.db2.gz JOXCEOIGGOTGOU-KCITZHQASA-N 2 0 334.891 3.096 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207287246 1371351455 /nfs/dbraw/zinc/35/14/55/1371351455.db2.gz RCSRNPMNBVAONX-YLJYHZDGSA-N 2 0 344.499 3.172 20 0 EGADRP Cc1noc([C@@H]2CCC[N@@H+]2CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001207292511 1371352582 /nfs/dbraw/zinc/35/25/82/1371352582.db2.gz RQMOUPUHGPGDAT-IBGZPJMESA-N 2 0 340.471 3.427 20 0 EGADRP c1ccc(C[NH+]2CCC(CN3CC[N@@H+]4CCCC[C@H]4C3)CC2)cc1 ZINC001207291570 1371352817 /nfs/dbraw/zinc/35/28/17/1371352817.db2.gz TXTSBRHQNUZTMU-NRFANRHFSA-N 2 0 327.516 3.069 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001207402726 1371386431 /nfs/dbraw/zinc/38/64/31/1371386431.db2.gz MNAZSPHBWMRVFP-FCHUYYIVSA-N 3 0 341.543 3.172 20 0 EGADRP Clc1ccc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001207438035 1371395591 /nfs/dbraw/zinc/39/55/91/1371395591.db2.gz RSRVCLMDJCQCAY-UHFFFAOYSA-N 2 0 342.314 3.111 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001207470371 1371404920 /nfs/dbraw/zinc/40/49/20/1371404920.db2.gz UPWRATJMKHVZJV-PCCBWWKXSA-N 2 0 328.500 3.257 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207483607 1371410108 /nfs/dbraw/zinc/41/01/08/1371410108.db2.gz GJIDOJDCKBCIHV-UHFFFAOYSA-N 3 0 329.532 3.315 20 0 EGADRP COc1ccccc1O[C@H]1CCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207485161 1371410542 /nfs/dbraw/zinc/41/05/42/1371410542.db2.gz SFUVVPZWMHSPLC-SFHVURJKSA-N 2 0 332.488 3.270 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCN(C3(c4ccccc4)CC3)CC2)CC1 ZINC001207487466 1371411215 /nfs/dbraw/zinc/41/12/15/1371411215.db2.gz JYIYCQQVGLFWSE-UHFFFAOYSA-N 2 0 327.516 3.025 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001207488361 1371411882 /nfs/dbraw/zinc/41/18/82/1371411882.db2.gz JMIRZALBKWDEFY-HXUWFJFHSA-N 2 0 344.499 3.174 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001207518773 1371424776 /nfs/dbraw/zinc/42/47/76/1371424776.db2.gz SGWKZQALGISRAF-UHFFFAOYSA-N 2 0 349.538 3.498 20 0 EGADRP CC(C)c1ccc(CCN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001207524130 1371425519 /nfs/dbraw/zinc/42/55/19/1371425519.db2.gz OCEFGWYITMJYQK-UHFFFAOYSA-N 2 0 343.559 3.312 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541202 1371430200 /nfs/dbraw/zinc/43/02/00/1371430200.db2.gz YBWFCDRIPATWIL-PDTMIUJASA-N 2 0 349.563 3.432 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541070 1371430703 /nfs/dbraw/zinc/43/07/03/1371430703.db2.gz RSXJWUXTFDSMFD-YSNLUETFSA-N 2 0 335.536 3.042 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]2C1 ZINC001119990950 1371445168 /nfs/dbraw/zinc/44/51/68/1371445168.db2.gz ZZNUZMJLCRXHHL-XYJFISCASA-N 2 0 325.456 3.103 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617034 1371453216 /nfs/dbraw/zinc/45/32/16/1371453216.db2.gz MPAJQMMSVVTFRE-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010069 1371453555 /nfs/dbraw/zinc/45/35/55/1371453555.db2.gz KRASCEROWDKSBR-UEKDZROGSA-N 2 0 349.563 3.483 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2C)CCCCC1 ZINC001120045979 1371467227 /nfs/dbraw/zinc/46/72/27/1371467227.db2.gz LEPXUKNKXVESPV-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001120207750 1371504292 /nfs/dbraw/zinc/50/42/92/1371504292.db2.gz DGLWMUZZZPYWSM-RCLKMUNOSA-N 2 0 341.927 3.022 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868220 1371525865 /nfs/dbraw/zinc/52/58/65/1371525865.db2.gz MCJLKIKEBMLLPJ-GPMSIDNRSA-N 2 0 342.487 3.067 20 0 EGADRP CC1(C)OC[C@H](C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)O1 ZINC001207932299 1371542259 /nfs/dbraw/zinc/54/22/59/1371542259.db2.gz SFLJTYLQUDJTGM-PXTPFGJHSA-N 2 0 346.515 3.033 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001120430563 1371573616 /nfs/dbraw/zinc/57/36/16/1371573616.db2.gz LTILGNSZZCWZRG-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CCC(C)C)C1 ZINC001120439859 1371576892 /nfs/dbraw/zinc/57/68/92/1371576892.db2.gz JFOIDYMXWWPQBK-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450189 1371580911 /nfs/dbraw/zinc/58/09/11/1371580911.db2.gz SZPDPKJOLBWOOF-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120469609 1371588124 /nfs/dbraw/zinc/58/81/24/1371588124.db2.gz LDAIZCMNZURLIB-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208111325 1371598721 /nfs/dbraw/zinc/59/87/21/1371598721.db2.gz KGGYUZWKOVOOIT-LEWJYISDSA-N 3 0 341.543 3.172 20 0 EGADRP CN(CC1(C[NH+](C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208181954 1371623661 /nfs/dbraw/zinc/62/36/61/1371623661.db2.gz DGJVFHFPSCYUAC-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP COc1cccc(OC2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)n1 ZINC001208188589 1371630948 /nfs/dbraw/zinc/63/09/48/1371630948.db2.gz KEEVNOIOJHYWDU-UHFFFAOYSA-N 2 0 347.503 3.055 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258131 1371685271 /nfs/dbraw/zinc/68/52/71/1371685271.db2.gz AYQYQFQYKQRUIW-INIZCTEOSA-N 2 0 337.533 3.194 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208330690 1371720557 /nfs/dbraw/zinc/72/05/57/1371720557.db2.gz COEXHLHNEXKTIX-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334563 1371722144 /nfs/dbraw/zinc/72/21/44/1371722144.db2.gz JXIFYWSHLRKJMR-IEBWSBKVSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208571741 1371822826 /nfs/dbraw/zinc/82/28/26/1371822826.db2.gz RWAPIOUDYNKGKO-BHIYHBOVSA-N 2 0 335.536 3.044 20 0 EGADRP CC[NH+]1CCC(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001208593237 1371832538 /nfs/dbraw/zinc/83/25/38/1371832538.db2.gz QXBSKHYSYBBLAG-IYBDPMFKSA-N 2 0 339.524 3.048 20 0 EGADRP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001208596066 1371834561 /nfs/dbraw/zinc/83/45/61/1371834561.db2.gz ATGSOSWAUWJXGQ-SZPZYZBQSA-N 3 0 341.543 3.091 20 0 EGADRP CC[NH+]1CCC(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001208596067 1371834603 /nfs/dbraw/zinc/83/46/03/1371834603.db2.gz ATGSOSWAUWJXGQ-VXKWHMMOSA-N 3 0 341.543 3.091 20 0 EGADRP CC[NH+]1CCC(C[N@H+](Cc2cccc(OC)c2)[C@@H](C)COC)CC1 ZINC001208599810 1371835780 /nfs/dbraw/zinc/83/57/80/1371835780.db2.gz CDACBRBXKJYOMA-KRWDZBQOSA-N 2 0 334.504 3.264 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](CCC(C)(C)c3ccccc3)CC2)CC1 ZINC001208664945 1371855900 /nfs/dbraw/zinc/85/59/00/1371855900.db2.gz AUMFVDFFOJULEO-UHFFFAOYSA-N 2 0 329.532 3.066 20 0 EGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CCC1CC1)CC2 ZINC001208681443 1371859139 /nfs/dbraw/zinc/85/91/39/1371859139.db2.gz WOVVMFCHAYOEFA-FQEVSTJZSA-N 2 0 343.515 3.185 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001121133615 1371863245 /nfs/dbraw/zinc/86/32/45/1371863245.db2.gz FNHZZQHEFKFPLG-JSMKSKOISA-N 2 0 349.563 3.314 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001208727714 1371875639 /nfs/dbraw/zinc/87/56/39/1371875639.db2.gz HLSVFBYNCZBNCO-ARJAWSKDSA-N 2 0 343.515 3.352 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121232341 1371901754 /nfs/dbraw/zinc/90/17/54/1371901754.db2.gz DYXAQMBDAFKUFP-MBEFBZSESA-N 2 0 347.547 3.233 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121267238 1371915921 /nfs/dbraw/zinc/91/59/21/1371915921.db2.gz GXQNHELWFFECGG-WZXTXQKWSA-N 2 0 337.552 3.026 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001121295220 1371926396 /nfs/dbraw/zinc/92/63/96/1371926396.db2.gz VLZUCNAPXMVSSI-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121348345 1371946076 /nfs/dbraw/zinc/94/60/76/1371946076.db2.gz WHCMJKULYXTURO-SGPNKGFISA-N 2 0 349.563 3.170 20 0 EGADRP Cc1noc([C@H]2CC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208940472 1371953642 /nfs/dbraw/zinc/95/36/42/1371953642.db2.gz RZYBYPXKXQQCOY-OALUTQOASA-N 2 0 340.471 3.080 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208940050 1371954827 /nfs/dbraw/zinc/95/48/27/1371954827.db2.gz OEAZXZRZHYRNSK-LEWJYISDSA-N 2 0 328.500 3.401 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC001208946837 1371959070 /nfs/dbraw/zinc/95/90/70/1371959070.db2.gz IZNUZTYKBVLQCK-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001121402410 1371963993 /nfs/dbraw/zinc/96/39/93/1371963993.db2.gz MEDDOCXAXMPKHN-UHFFFAOYSA-N 2 0 340.471 3.155 20 0 EGADRP F[C@H]1CN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001208965435 1371965377 /nfs/dbraw/zinc/96/53/77/1371965377.db2.gz ZSGMEZLUDKORCL-ACRUOGEOSA-N 2 0 345.506 3.017 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209133479 1372009571 /nfs/dbraw/zinc/00/95/71/1372009571.db2.gz FDOFBKFBKZSKNN-PFRNKHFKSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142880 1372013030 /nfs/dbraw/zinc/01/30/30/1372013030.db2.gz WWXUEVHOABWUJG-DSTKZSRVSA-N 2 0 349.563 3.432 20 0 EGADRP C[C@H]([NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1)c1ccccc1 ZINC001121664123 1372039403 /nfs/dbraw/zinc/03/94/03/1372039403.db2.gz ZZQRJQRDCZOWFY-GICSWVMSSA-N 2 0 343.515 3.106 20 0 EGADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)CC1)C2)[NH+](C)C ZINC001121798393 1372084390 /nfs/dbraw/zinc/08/43/90/1372084390.db2.gz LXLRKYSIKASFGA-WLGSGIEKSA-N 2 0 349.563 3.170 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001121799026 1372085288 /nfs/dbraw/zinc/08/52/88/1372085288.db2.gz YBKFJBMTTQSYAY-KSKRMUTISA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121861421 1372106543 /nfs/dbraw/zinc/10/65/43/1372106543.db2.gz WAUDHVQVGNWJKZ-MBEFBZSESA-N 2 0 347.547 3.233 20 0 EGADRP c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+](CCC[NH+]2CCCCC2)C3)nc1 ZINC001209451578 1372108895 /nfs/dbraw/zinc/10/88/95/1372108895.db2.gz JAQJQXBZZMGHKG-CTNGQTDRSA-N 2 0 343.515 3.439 20 0 EGADRP c1ccc(C2([NH+]3CCN(CCC[NH+]4CCCCC4)CC3)CC2)cc1 ZINC001209452151 1372108950 /nfs/dbraw/zinc/10/89/50/1372108950.db2.gz FPWQUAVAAFWLOR-UHFFFAOYSA-N 2 0 327.516 3.169 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209513574 1372126126 /nfs/dbraw/zinc/12/61/26/1372126126.db2.gz AWHDYFVJCVDXSJ-UHFFFAOYSA-N 2 0 328.504 3.017 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC001121935073 1372127039 /nfs/dbraw/zinc/12/70/39/1372127039.db2.gz GMJMNVBWWLYPFE-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001209566277 1372137800 /nfs/dbraw/zinc/13/78/00/1372137800.db2.gz VJUMOITYLIRVQO-QZTJIDSGSA-N 2 0 325.541 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001209561820 1372138226 /nfs/dbraw/zinc/13/82/26/1372138226.db2.gz LKBOURFGOMNWRJ-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1)[NH+](CC)CC ZINC001209615983 1372152885 /nfs/dbraw/zinc/15/28/85/1372152885.db2.gz XXNZHYATLHHHGG-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1)[NH+](C)C ZINC001209668136 1372166329 /nfs/dbraw/zinc/16/63/29/1372166329.db2.gz BNTASFAQRYQQAD-HHWAWRKLSA-N 2 0 343.515 3.011 20 0 EGADRP CC[NH+](CC)CCOc1cccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)c1 ZINC001122344816 1372232557 /nfs/dbraw/zinc/23/25/57/1372232557.db2.gz MOWFZNHZZDIYHA-KRWDZBQOSA-N 2 0 335.492 3.109 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001122433962 1372247083 /nfs/dbraw/zinc/24/70/83/1372247083.db2.gz XSXLEDRJYDGQEL-QGZVFWFLSA-N 2 0 341.430 3.135 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210219048 1372296966 /nfs/dbraw/zinc/29/69/66/1372296966.db2.gz SEUDRRLMECDQHL-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP Clc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c2cccnc12 ZINC001210266845 1372310500 /nfs/dbraw/zinc/31/05/00/1372310500.db2.gz RUBUBBANECRVRM-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427594 1372350673 /nfs/dbraw/zinc/35/06/73/1372350673.db2.gz XOZMWWYYZZWNGI-QWFCFKBJSA-N 2 0 345.531 3.224 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428395 1372351411 /nfs/dbraw/zinc/35/14/11/1372351411.db2.gz RFRNEQLNIBACBK-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210492444 1372365839 /nfs/dbraw/zinc/36/58/39/1372365839.db2.gz BIYOSSBCKBRCRY-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001210642031 1372398094 /nfs/dbraw/zinc/39/80/94/1372398094.db2.gz ADIAVHZTOYLKHB-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643788 1372399083 /nfs/dbraw/zinc/39/90/83/1372399083.db2.gz LEUYGAXEKIIKBC-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211247840 1372512003 /nfs/dbraw/zinc/51/20/03/1372512003.db2.gz ANBIMQGCIOZOQR-SFHVURJKSA-N 2 0 331.504 3.133 20 0 EGADRP Cc1ccc(C(F)(F)F)cc1-c1noc([C@@](C)([NH3+])CCCC[NH3+])n1 ZINC001212336223 1372689437 /nfs/dbraw/zinc/68/94/37/1372689437.db2.gz VWNDFDNKOMFWCV-HNNXBMFYSA-N 2 0 342.365 3.367 20 0 EGADRP CSc1cc(F)c(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)cc1F ZINC001212337823 1372690142 /nfs/dbraw/zinc/69/01/42/1372690142.db2.gz FULPBXXXMNYFBR-HNNXBMFYSA-N 2 0 342.415 3.040 20 0 EGADRP Cc1[nH+]c2ccc(F)cn2c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212712911 1372759185 /nfs/dbraw/zinc/75/91/85/1372759185.db2.gz KFXAPTOPDFBQFS-UHFFFAOYSA-N 2 0 339.418 3.277 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636981 1373094113 /nfs/dbraw/zinc/09/41/13/1373094113.db2.gz ZJEHZHJOERQKDE-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356467 1373118947 /nfs/dbraw/zinc/11/89/47/1373118947.db2.gz DCYWUAHIPRQFGF-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845337 1373128744 /nfs/dbraw/zinc/12/87/44/1373128744.db2.gz OOQHKOVOLLYAFZ-IEVDXQOXSA-N 2 0 349.563 3.147 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001214998012 1373153429 /nfs/dbraw/zinc/15/34/29/1373153429.db2.gz PYBXGFOOMABTDY-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584289 1388247549 /nfs/dbraw/zinc/24/75/49/1388247549.db2.gz VBKHULBGKHVTSN-ZWKOTPCHSA-N 2 0 343.515 3.026 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234248 1373189653 /nfs/dbraw/zinc/18/96/53/1373189653.db2.gz MFWFKIDTIUIUFP-JNVNVXKGSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215930218 1373251636 /nfs/dbraw/zinc/25/16/36/1373251636.db2.gz UBBQDPDODKKOGZ-YLJYHZDGSA-N 2 0 345.531 3.235 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323356 1373300395 /nfs/dbraw/zinc/30/03/95/1373300395.db2.gz CTLDVRZSXAOGFS-GUDVDZBRSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834589 1373349069 /nfs/dbraw/zinc/34/90/69/1373349069.db2.gz UCZHPTULPNTPCZ-ASIGSXEYSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC2CCC(C(C)(C)C)CC2)CCC1 ZINC001129363062 1373375214 /nfs/dbraw/zinc/37/52/14/1373375214.db2.gz FGSSFUJBKVOIEG-UHFFFAOYSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001129418622 1373381461 /nfs/dbraw/zinc/38/14/61/1373381461.db2.gz VYAPGIGQLVEPSC-VQTJNVASSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001129422409 1373382084 /nfs/dbraw/zinc/38/20/84/1373382084.db2.gz IHUDIELUHDFZDG-OJWOGGGRSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001129423987 1373382232 /nfs/dbraw/zinc/38/22/32/1373382232.db2.gz ZKNFTMJULXPLSR-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001129423878 1373382378 /nfs/dbraw/zinc/38/23/78/1373382378.db2.gz XXXRYQBRBOGTAR-UYAOXDASSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001129422106 1373382421 /nfs/dbraw/zinc/38/24/21/1373382421.db2.gz FROBOQWPYHUXCX-HKUYNNGSSA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001129422411 1373382586 /nfs/dbraw/zinc/38/25/86/1373382586.db2.gz IHUDIELUHDFZDG-QLQLNADESA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1cccc2ccccc21 ZINC001130305804 1373488307 /nfs/dbraw/zinc/48/83/07/1373488307.db2.gz LRCUOPUPZDAIIE-OXQOHEQNSA-N 2 0 339.483 3.091 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217704106 1373490762 /nfs/dbraw/zinc/49/07/62/1373490762.db2.gz SNMLWXQLSVUUOT-KFWWJZLASA-N 2 0 334.851 3.384 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3OC[C@@H]2CCC[NH2+]C2)cc1 ZINC001217808200 1373503153 /nfs/dbraw/zinc/50/31/53/1373503153.db2.gz BEWJFXWHVCCJLH-MQEZQYLSSA-N 2 0 328.500 3.303 20 0 EGADRP c1ccc(C[N@@H+]2CCCO[C@H](COCCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217888196 1373509771 /nfs/dbraw/zinc/50/97/71/1373509771.db2.gz OLAJRMHXYNJLHG-CTNGQTDRSA-N 2 0 346.515 3.074 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2ccc4c(n2)CC[NH2+]C4)C3)cc1 ZINC001218342938 1373600336 /nfs/dbraw/zinc/60/03/36/1373600336.db2.gz AXDHADULOFBNAC-PMOLBWCYSA-N 2 0 349.478 3.302 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)c1ccccc1Cl ZINC001130874654 1373600493 /nfs/dbraw/zinc/60/04/93/1373600493.db2.gz IOCZFWKEWZIXIN-ZDUSSCGKSA-N 2 0 342.830 3.068 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cc2)CC1 ZINC001218822403 1373658131 /nfs/dbraw/zinc/65/81/31/1373658131.db2.gz LAHOSBKWGUZXFL-NRFANRHFSA-N 2 0 349.478 3.149 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)CCC[NH2+]C1 ZINC001218821294 1373658138 /nfs/dbraw/zinc/65/81/38/1373658138.db2.gz CWTCCHRRXPGURN-HXUWFJFHSA-N 2 0 329.488 3.214 20 0 EGADRP CC(C)(C[NH3+])c1ccc(NC(=O)c2csc([C@H]3CCC[NH2+]3)n2)cc1 ZINC001218895340 1373665274 /nfs/dbraw/zinc/66/52/74/1373665274.db2.gz MSUQJZFIIAKOPZ-CQSZACIVSA-N 2 0 344.484 3.056 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]([NH3+])Cc2csc3ccccc23)cc1 ZINC001219345263 1373702280 /nfs/dbraw/zinc/70/22/80/1373702280.db2.gz GDFLTSCSAUHYPF-HNNXBMFYSA-N 2 0 339.464 3.259 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221203747 1373768295 /nfs/dbraw/zinc/76/82/95/1373768295.db2.gz ALQTWENIBRLZLW-ZOCIIQOWSA-N 2 0 349.494 3.136 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205296 1373768329 /nfs/dbraw/zinc/76/83/29/1373768329.db2.gz SJWGUTGFZLZHRT-MOPGFXCFSA-N 2 0 349.494 3.007 20 0 EGADRP C[N@H+](CCC(=O)NCC[NH2+]C/C=C/c1ccccc1)C1CCCCC1 ZINC001131815795 1373819205 /nfs/dbraw/zinc/81/92/05/1373819205.db2.gz ULABPPGJNULQOF-DHZHZOJOSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815707 1373819282 /nfs/dbraw/zinc/81/92/82/1373819282.db2.gz QFFHFVHIKDESDO-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP Clc1ccc(CCC[NH+]2CCC3(CC2)C[NH2+]CCO3)cc1Cl ZINC001222208376 1373820967 /nfs/dbraw/zinc/82/09/67/1373820967.db2.gz KXMMGHKGBRKJJX-UHFFFAOYSA-N 2 0 343.298 3.380 20 0 EGADRP CCOc1cc(C[NH+]2CCC3(C[NH2+]C3)CC2)cc(C(F)(F)F)c1 ZINC001222208006 1373821381 /nfs/dbraw/zinc/82/13/81/1373821381.db2.gz IUEPLFZNQPEUJG-UHFFFAOYSA-N 2 0 328.378 3.290 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346301 1388294035 /nfs/dbraw/zinc/29/40/35/1388294035.db2.gz HKESPJMPYIGXRT-VZSQWMKGSA-N 2 0 335.536 3.189 20 0 EGADRP CCCC[NH+](CCCC)CCCOC1CC[NH+](CCOC)CC1 ZINC001224754938 1375075074 /nfs/dbraw/zinc/07/50/74/1375075074.db2.gz IEQVWEGJBKXSPI-UHFFFAOYSA-N 2 0 328.541 3.406 20 0 EGADRP C[N@@H+]1CCC[C@H](OC[C@@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152635 1375097006 /nfs/dbraw/zinc/09/70/06/1375097006.db2.gz XMLWLQFEGFUIRH-PZJWPPBQSA-N 2 0 346.515 3.167 20 0 EGADRP Cc1cc(C[N@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C)cs1 ZINC001132105345 1375150772 /nfs/dbraw/zinc/15/07/72/1375150772.db2.gz FPQOFGYYFQTRIJ-WMLDXEAASA-N 2 0 349.544 3.010 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132105904 1375151235 /nfs/dbraw/zinc/15/12/35/1375151235.db2.gz OGIKFQNWIBVCAY-FUHWJXTLSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCCC1CCC1 ZINC001132107477 1375151466 /nfs/dbraw/zinc/15/14/66/1375151466.db2.gz ZGLKVHPCQMKCRS-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC1CCCCCC1 ZINC001132106127 1375151865 /nfs/dbraw/zinc/15/18/65/1375151865.db2.gz QHCSVEQIIAEOBC-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132128164 1375159696 /nfs/dbraw/zinc/15/96/96/1375159696.db2.gz JNCDQCPSOHFFSZ-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140821 1375167424 /nfs/dbraw/zinc/16/74/24/1375167424.db2.gz LELLGYQIMQWKGC-SJORKVTESA-N 2 0 337.552 3.409 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132153136 1375173455 /nfs/dbraw/zinc/17/34/55/1375173455.db2.gz NRIJMKALRWNPOF-DOTOQJQBSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)=CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211052 1375211566 /nfs/dbraw/zinc/21/15/66/1375211566.db2.gz LMKKBKPCRCPKGX-QZTJIDSGSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001226170216 1375214414 /nfs/dbraw/zinc/21/44/14/1375214414.db2.gz DLMUHRDZNDXTIT-QRVBRYPASA-N 2 0 337.552 3.457 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001226267181 1375230471 /nfs/dbraw/zinc/23/04/71/1375230471.db2.gz CTHZYAQVFOIHBT-RCCFBDPRSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CC2)C1 ZINC001132365634 1375330902 /nfs/dbraw/zinc/33/09/02/1375330902.db2.gz NGXJNFCTBUFVSZ-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132376622 1375339468 /nfs/dbraw/zinc/33/94/68/1375339468.db2.gz PGBUCMCXBSMFJA-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001226891864 1375354007 /nfs/dbraw/zinc/35/40/07/1375354007.db2.gz VQAJPEZUBAGYCN-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434008 1375378147 /nfs/dbraw/zinc/37/81/47/1375378147.db2.gz SOPAIXWDUPMWAD-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132436996 1375380700 /nfs/dbraw/zinc/38/07/00/1375380700.db2.gz ORXXMZXXNHSSFU-AWTIPJNISA-N 2 0 337.552 3.434 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227483649 1375436473 /nfs/dbraw/zinc/43/64/73/1375436473.db2.gz ULACDGQGEFQFJF-QZTJIDSGSA-N 2 0 342.487 3.401 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524495 1375440424 /nfs/dbraw/zinc/44/04/24/1375440424.db2.gz HYFXZRPIEWBFSV-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CCC1CC1 ZINC001132549554 1375455677 /nfs/dbraw/zinc/45/56/77/1375455677.db2.gz UVBQXOGODWJPOF-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703029 1375463270 /nfs/dbraw/zinc/46/32/70/1375463270.db2.gz AHBCIOPYHVAHMX-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001228111845 1375518857 /nfs/dbraw/zinc/51/88/57/1375518857.db2.gz AFUBKCFHDJXAKQ-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C)c1cccc(F)c1 ZINC001228254626 1375534706 /nfs/dbraw/zinc/53/47/06/1375534706.db2.gz CXTMWTQWOGTGJF-ATZDWAIDSA-N 2 0 349.494 3.246 20 0 EGADRP CCC/C=C\CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790524 1375566327 /nfs/dbraw/zinc/56/63/27/1375566327.db2.gz HLCLXIHGXPFTEV-PHWHVTFISA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415990 1375569714 /nfs/dbraw/zinc/56/97/14/1375569714.db2.gz XTJMBLFVAZUENP-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559157 1375597541 /nfs/dbraw/zinc/59/75/41/1375597541.db2.gz MBWTXIWQECFCSE-KZNAEPCWSA-N 2 0 325.541 3.314 20 0 EGADRP C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001132887210 1375625877 /nfs/dbraw/zinc/62/58/77/1375625877.db2.gz CUFVKUMMPGHBEN-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132894114 1375630415 /nfs/dbraw/zinc/63/04/15/1375630415.db2.gz XGHCEKZSGAWJMR-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001132938606 1375657575 /nfs/dbraw/zinc/65/75/75/1375657575.db2.gz WJZUUCRZDFBRDI-IRXDYDNUSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132937674 1375657706 /nfs/dbraw/zinc/65/77/06/1375657706.db2.gz NBVIBTXYALENAW-NVXWUHKLSA-N 2 0 342.487 3.131 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133069118 1375756712 /nfs/dbraw/zinc/75/67/12/1375756712.db2.gz OVKWYKIPBYQEEM-JNVNVXKGSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133084756 1375766126 /nfs/dbraw/zinc/76/61/26/1375766126.db2.gz XDYPDJSLRUBWPR-KQPGTDLCSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229126469 1375770513 /nfs/dbraw/zinc/77/05/13/1375770513.db2.gz JZVBVWGUALAQIP-IPMKNSEASA-N 2 0 349.494 3.127 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213155 1375845234 /nfs/dbraw/zinc/84/52/34/1375845234.db2.gz JHMWTHYJEZDHRP-ICSRJNTNSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001133261663 1375876567 /nfs/dbraw/zinc/87/65/67/1375876567.db2.gz BZOHZOWCPCDYQI-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001229853872 1375904171 /nfs/dbraw/zinc/90/41/71/1375904171.db2.gz ZIIPGDLKXBKMRV-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001133309498 1375914668 /nfs/dbraw/zinc/91/46/68/1375914668.db2.gz DOEGLQXIDZUFBX-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001230286729 1375983902 /nfs/dbraw/zinc/98/39/02/1375983902.db2.gz RJUXMVCDMQKMFD-VAMGGRTRSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001230284503 1375984065 /nfs/dbraw/zinc/98/40/65/1375984065.db2.gz IJZBAVIPHBOWLU-RTBURBONSA-N 2 0 335.536 3.234 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230355046 1376006805 /nfs/dbraw/zinc/00/68/05/1376006805.db2.gz RAJONRJEPNIJFJ-PLNGDYQASA-N 2 0 335.536 3.189 20 0 EGADRP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230518966 1376051247 /nfs/dbraw/zinc/05/12/47/1376051247.db2.gz WHEYXBNLBQMPHO-ZFWWWQNUSA-N 2 0 337.427 3.145 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001230591938 1376089821 /nfs/dbraw/zinc/08/98/21/1376089821.db2.gz NFELXNHWCIHVMD-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C\CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230617512 1376103393 /nfs/dbraw/zinc/10/33/93/1376103393.db2.gz BQWSBTNTGUBKRZ-PXDRNWIDSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C)[NH+](CC)CC ZINC001133690772 1376157828 /nfs/dbraw/zinc/15/78/28/1376157828.db2.gz VYXGUJYMPNLEOG-MJGOQNOKSA-N 2 0 333.520 3.191 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232011588 1376381845 /nfs/dbraw/zinc/38/18/45/1376381845.db2.gz GRGKYEBEGMDWGQ-IBGZPJMESA-N 2 0 342.443 3.148 20 0 EGADRP COc1cccc2[nH]cc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)c21 ZINC001232039238 1376388285 /nfs/dbraw/zinc/38/82/85/1376388285.db2.gz YSKSZAORBCFXAV-UHFFFAOYSA-N 2 0 327.472 3.484 20 0 EGADRP COc1ccc(OC(C)C)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001232389877 1376454489 /nfs/dbraw/zinc/45/44/89/1376454489.db2.gz FQBDRGRXZQBPEA-UHFFFAOYSA-N 2 0 332.488 3.400 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369533 1376497596 /nfs/dbraw/zinc/49/75/96/1376497596.db2.gz NRJLXXVDXPVVFF-ZWKOTPCHSA-N 2 0 345.531 3.324 20 0 EGADRP c1nc2ccc(C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)cc2o1 ZINC001232937417 1376541547 /nfs/dbraw/zinc/54/15/47/1376541547.db2.gz ALHLKJOQPDGKGM-UHFFFAOYSA-N 2 0 343.471 3.152 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(OC(F)F)nc3)CC2)CC1 ZINC001232955225 1376547086 /nfs/dbraw/zinc/54/70/86/1376547086.db2.gz XVASSNWGAVKWPA-UHFFFAOYSA-N 2 0 339.430 3.237 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001134583007 1376608055 /nfs/dbraw/zinc/60/80/55/1376608055.db2.gz COXSUANHSVMSPQ-SJORKVTESA-N 2 0 345.531 3.106 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583713 1376608228 /nfs/dbraw/zinc/60/82/28/1376608228.db2.gz NSIYRSKWGZHDCV-HOTGVXAUSA-N 2 0 325.541 3.170 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584239 1376608655 /nfs/dbraw/zinc/60/86/55/1376608655.db2.gz SDZCFAAPQDBVHD-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CCCC(C)(C)C ZINC001134583712 1376608676 /nfs/dbraw/zinc/60/86/76/1376608676.db2.gz NSIYRSKWGZHDCV-CVEARBPZSA-N 2 0 325.541 3.170 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c(C)c1 ZINC001134759295 1376704306 /nfs/dbraw/zinc/70/43/06/1376704306.db2.gz LEDLQVNBIQOBNY-HXUWFJFHSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808000 1376736649 /nfs/dbraw/zinc/73/66/49/1376736649.db2.gz CCXKKFXPLNMUMH-GJZGRUSLSA-N 2 0 328.460 3.095 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189110533 1388460237 /nfs/dbraw/zinc/46/02/37/1388460237.db2.gz RCZKIGMTDWIYMR-GBESFXJTSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)[NH+](CC)CC ZINC001189110771 1388460316 /nfs/dbraw/zinc/46/03/16/1388460316.db2.gz SLGIVBGVLOVFEH-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134822582 1376742496 /nfs/dbraw/zinc/74/24/96/1376742496.db2.gz YLBPSKYBFRZJPB-GJZGRUSLSA-N 2 0 330.476 3.319 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCCC1 ZINC001134858152 1376757377 /nfs/dbraw/zinc/75/73/77/1376757377.db2.gz OXYJMNOTOYSEDL-MSOLQXFVSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857534 1376757783 /nfs/dbraw/zinc/75/77/83/1376757783.db2.gz DZEDJBFFICILFS-ROUUACIJSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891138 1376770026 /nfs/dbraw/zinc/77/00/26/1376770026.db2.gz BOMMQMORXXTNAL-JKSUJKDBSA-N 2 0 330.476 3.257 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892863 1376772656 /nfs/dbraw/zinc/77/26/56/1376772656.db2.gz PXNXXKKTMOLGDD-LSDHHAIUSA-N 2 0 330.476 3.257 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001234215688 1376788775 /nfs/dbraw/zinc/78/87/75/1376788775.db2.gz OPEUMGBAIJJZRR-QZTJIDSGSA-N 2 0 337.552 3.218 20 0 EGADRP Cn1c2ccccc2c2cc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)ccc21 ZINC001235035174 1376833038 /nfs/dbraw/zinc/83/30/38/1376833038.db2.gz CJHAFSSMLLWLON-VGOFRKELSA-N 2 0 349.478 3.142 20 0 EGADRP CC(C)Oc1cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC(C)C)c1 ZINC001235191769 1376857026 /nfs/dbraw/zinc/85/70/26/1376857026.db2.gz YUJGTQDYZYMKLP-MSOLQXFVSA-N 2 0 332.488 3.302 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCCCC34CC[NH2+]CC4)ccc2[nH]1 ZINC001235192312 1376860444 /nfs/dbraw/zinc/86/04/44/1376860444.db2.gz ZZHJVZSNJLJGCB-UHFFFAOYSA-N 2 0 341.455 3.063 20 0 EGADRP Oc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c2cccnc12 ZINC001235242641 1376862487 /nfs/dbraw/zinc/86/24/87/1376862487.db2.gz SWSFXAOEMLXFPC-GOSISDBHSA-N 2 0 325.456 3.295 20 0 EGADRP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2O1 ZINC001235429764 1376869576 /nfs/dbraw/zinc/86/95/76/1376869576.db2.gz ZMDNCCJXXLECTE-KBPBESRZSA-N 2 0 338.398 3.220 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001235629780 1376879824 /nfs/dbraw/zinc/87/98/24/1376879824.db2.gz SBFZFJQAQXYMGK-FQEVSTJZSA-N 2 0 333.495 3.385 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001235665348 1376883076 /nfs/dbraw/zinc/88/30/76/1376883076.db2.gz IRABISHRVOFLHT-UHFFFAOYSA-N 2 0 332.366 3.064 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081116 1376883803 /nfs/dbraw/zinc/88/38/03/1376883803.db2.gz GYARCDNFCNDVNA-IRXDYDNUSA-N 2 0 343.531 3.264 20 0 EGADRP CC(C)(C)Oc1cccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)n1 ZINC001235702444 1376884331 /nfs/dbraw/zinc/88/43/31/1376884331.db2.gz VCNCQIVMWLTHIS-UHFFFAOYSA-N 2 0 331.504 3.471 20 0 EGADRP Fc1ccccc1[C@H]1CC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235726860 1376886464 /nfs/dbraw/zinc/88/64/64/1376886464.db2.gz QNMJCEUZBWFKLR-KRWDZBQOSA-N 2 0 339.458 3.225 20 0 EGADRP [NH3+]Cc1cccc(CN2CCc3ccc(Br)cc3C2)c1 ZINC001235817979 1376899760 /nfs/dbraw/zinc/89/97/60/1376899760.db2.gz IKTCHOJDPYPZOO-UHFFFAOYSA-N 2 0 331.257 3.466 20 0 EGADRP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102201 1376899794 /nfs/dbraw/zinc/89/97/94/1376899794.db2.gz YLSDHQHQCMPWSW-IAGOWNOFSA-N 2 0 333.520 3.077 20 0 EGADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC001236074521 1376930679 /nfs/dbraw/zinc/93/06/79/1376930679.db2.gz ZSXLYJNYRCNQRH-KRWDZBQOSA-N 2 0 345.874 3.207 20 0 EGADRP CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)CCCC[NH3+])o2)cc1 ZINC001236140968 1376935531 /nfs/dbraw/zinc/93/55/31/1376935531.db2.gz BTBPCTCSDRJXCJ-UHFFFAOYSA-N 2 0 330.428 3.294 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001135181036 1376953444 /nfs/dbraw/zinc/95/34/44/1376953444.db2.gz LHSRZMFVSXVQOK-QZTJIDSGSA-N 2 0 345.531 3.242 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001135298059 1377026006 /nfs/dbraw/zinc/02/60/06/1377026006.db2.gz KGBAKFYSWJEJKC-QZTJIDSGSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001135297423 1377026506 /nfs/dbraw/zinc/02/65/06/1377026506.db2.gz BGUUQPRMBQBTJD-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299533 1377026962 /nfs/dbraw/zinc/02/69/62/1377026962.db2.gz XPBYMDIFGOYCNG-HZPDHXFCSA-N 2 0 337.508 3.408 20 0 EGADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccccc2-n2cccn2)CC1 ZINC001242713349 1377027785 /nfs/dbraw/zinc/02/77/85/1377027785.db2.gz XUYIUBREKPDGMP-UHFFFAOYSA-N 2 0 332.451 3.462 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001135317540 1377035341 /nfs/dbraw/zinc/03/53/41/1377035341.db2.gz YZHRHLRLEAFNDZ-OALUTQOASA-N 2 0 347.547 3.327 20 0 EGADRP c1ccc(CC2CCC([NH2+]C[C@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)CC2)cc1 ZINC001246158234 1377050371 /nfs/dbraw/zinc/05/03/71/1377050371.db2.gz UIANJHUFWXYECU-YWHRJQNKSA-N 2 0 328.500 3.002 20 0 EGADRP CCOC(=O)C[C@H]([NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246293488 1377050853 /nfs/dbraw/zinc/05/08/53/1377050853.db2.gz ROAABCKJEXSNLF-CMKODMSKSA-N 2 0 330.472 3.193 20 0 EGADRP CC[C@H]1CC([NH2+][C@@H](CC(C)C)C(=O)NCCC(C)C)C[C@H](CC)[NH2+]1 ZINC001246292302 1377051322 /nfs/dbraw/zinc/05/13/22/1377051322.db2.gz JFEFZYQPHKCBII-LNLFQRSKSA-N 2 0 339.568 3.462 20 0 EGADRP CO[C@H]1CCC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C1 ZINC001246382569 1377051689 /nfs/dbraw/zinc/05/16/89/1377051689.db2.gz CBQDMYIYKPTCJN-MOPGFXCFSA-N 2 0 334.479 3.285 20 0 EGADRP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545613 1377052472 /nfs/dbraw/zinc/05/24/72/1377052472.db2.gz WHTCKNZBRCMCJP-PXAZEXFGSA-N 2 0 346.849 3.115 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246546504 1377052549 /nfs/dbraw/zinc/05/25/49/1377052549.db2.gz GODQDLWYRZIWMM-MISYRCLQSA-N 3 0 333.495 3.192 20 0 EGADRP c1ccc([C@H]2CO[C@@]3(C2)CCC[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC001246714774 1377053509 /nfs/dbraw/zinc/05/35/09/1377053509.db2.gz NFTGDGNJOFWJSP-XAAMQAMVSA-N 2 0 326.484 3.308 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC[NH2+]1 ZINC001246728028 1377053643 /nfs/dbraw/zinc/05/36/43/1377053643.db2.gz JNUWRLHUFFZZPV-VNTMZGSJSA-N 2 0 341.499 3.033 20 0 EGADRP Fc1ccccc1CN(C1CC[NH2+]CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246937158 1377056092 /nfs/dbraw/zinc/05/60/92/1377056092.db2.gz ZJGDTGZKSIHAAG-IZZQQSIFSA-N 2 0 331.479 3.053 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)CC[NH+](C)C ZINC001135371647 1377059811 /nfs/dbraw/zinc/05/98/11/1377059811.db2.gz HDTFATNMSRIYAR-IAGOWNOFSA-N 2 0 347.547 3.309 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001135375449 1377061415 /nfs/dbraw/zinc/06/14/15/1377061415.db2.gz LYBAJQCLDCIQAH-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP O[C@]1(C[N@@H+]2CCCC3(CC(F)C3)CC2)CCN(Cc2ccccc2)C1 ZINC001252932891 1377093347 /nfs/dbraw/zinc/09/33/47/1377093347.db2.gz ZFFGQZNAALHORD-CBNMVNINSA-N 2 0 346.490 3.228 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252934526 1377093431 /nfs/dbraw/zinc/09/34/31/1377093431.db2.gz UWTINYFKBOKPLM-JOCHJYFZSA-N 2 0 338.495 3.454 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001135437791 1377097485 /nfs/dbraw/zinc/09/74/85/1377097485.db2.gz XOHWHXYFIYMZSM-GOSISDBHSA-N 2 0 333.520 3.274 20 0 EGADRP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC1 ZINC001254510017 1377105007 /nfs/dbraw/zinc/10/50/07/1377105007.db2.gz LHPWZYPDUXMUDC-GOSISDBHSA-N 2 0 329.488 3.168 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)C(C)C ZINC001135474022 1377109992 /nfs/dbraw/zinc/10/99/92/1377109992.db2.gz DOVHIPGEEBCOCB-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP CCOC(=O)C1CCC(N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)CC1 ZINC001255266088 1377110231 /nfs/dbraw/zinc/11/02/31/1377110231.db2.gz HFTRLHBGWONVSP-UHFFFAOYSA-N 2 0 345.487 3.070 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)cc1 ZINC001135477642 1377111509 /nfs/dbraw/zinc/11/15/09/1377111509.db2.gz MHXUIKMDLRUMAE-FQEVSTJZSA-N 2 0 347.547 3.211 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477482 1377111634 /nfs/dbraw/zinc/11/16/34/1377111634.db2.gz VNGFZBHRSHFUCN-ZUQFGZKASA-N 2 0 325.541 3.194 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)cc1 ZINC001135477643 1377111682 /nfs/dbraw/zinc/11/16/82/1377111682.db2.gz MHXUIKMDLRUMAE-HXUWFJFHSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135480355 1377112244 /nfs/dbraw/zinc/11/22/44/1377112244.db2.gz BDNDHJRVKVJSBX-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481228 1377113975 /nfs/dbraw/zinc/11/39/75/1377113975.db2.gz ROTFXWSJYQKVEJ-RBUKOAKNSA-N 2 0 347.547 3.224 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)[NH+](C)C ZINC001266110734 1377189739 /nfs/dbraw/zinc/18/97/39/1377189739.db2.gz NYTRCPDPCRFWDN-SJORKVTESA-N 2 0 325.541 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001135718934 1377193574 /nfs/dbraw/zinc/19/35/74/1377193574.db2.gz VXPRBLFEYSIYKK-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP CC1CC(C[N@H+](C)[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001266119621 1377196084 /nfs/dbraw/zinc/19/60/84/1377196084.db2.gz IQFFOIWMKQJORD-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135746981 1377200659 /nfs/dbraw/zinc/20/06/59/1377200659.db2.gz MDJDYFWORUFXQV-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135769001 1377206924 /nfs/dbraw/zinc/20/69/24/1377206924.db2.gz VPFHOQYWICGBKH-JNVNVXKGSA-N 2 0 337.552 3.338 20 0 EGADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001266175016 1377217035 /nfs/dbraw/zinc/21/70/35/1377217035.db2.gz BSECYTKFPFBUAU-WBVHZDCISA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF)CC1 ZINC001135823379 1377222269 /nfs/dbraw/zinc/22/22/69/1377222269.db2.gz ACYBLZVEPVJSAL-DLBZAZTESA-N 2 0 343.531 3.120 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001135860933 1377238228 /nfs/dbraw/zinc/23/82/28/1377238228.db2.gz JSVKNILUCOJQDG-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135861858 1377238643 /nfs/dbraw/zinc/23/86/43/1377238643.db2.gz YIUVIMHLCQJOAX-MOPGFXCFSA-N 2 0 347.547 3.224 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCF ZINC001135908520 1377257977 /nfs/dbraw/zinc/25/79/77/1377257977.db2.gz ZYCHTSUQXXRQSN-DLBZAZTESA-N 2 0 331.520 3.121 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001327297735 1388488018 /nfs/dbraw/zinc/48/80/18/1388488018.db2.gz BHSZAYMBIQNJKJ-WOJBJXKFSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938034 1377269807 /nfs/dbraw/zinc/26/98/07/1377269807.db2.gz CUSMKBRHKVXXAC-DLBZAZTESA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135977173 1377284548 /nfs/dbraw/zinc/28/45/48/1377284548.db2.gz QIRYJQJTCYXVJW-OALUTQOASA-N 2 0 347.547 3.327 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135979969 1377285797 /nfs/dbraw/zinc/28/57/97/1377285797.db2.gz KRDUXSRZNFPQHN-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)C1CCCCC1 ZINC001266373480 1377298568 /nfs/dbraw/zinc/29/85/68/1377298568.db2.gz DVSSPFCXRLYLDR-LJQANCHMSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001266492747 1377321283 /nfs/dbraw/zinc/32/12/83/1377321283.db2.gz WBNBXSXIDHMKNU-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309417 1388494169 /nfs/dbraw/zinc/49/41/69/1388494169.db2.gz VKPFXGAFLCIODE-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001266913733 1377402352 /nfs/dbraw/zinc/40/23/52/1377402352.db2.gz QGCURQPLVSKXTK-MNNVXMFVSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266972091 1377406011 /nfs/dbraw/zinc/40/60/11/1377406011.db2.gz UISJXDCBOSZRCQ-IAGOWNOFSA-N 2 0 333.520 3.128 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266972093 1377406135 /nfs/dbraw/zinc/40/61/35/1377406135.db2.gz UISJXDCBOSZRCQ-SJORKVTESA-N 2 0 333.520 3.128 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@H+](C)CCc2ccccc2)c1 ZINC001137563251 1377565964 /nfs/dbraw/zinc/56/59/64/1377565964.db2.gz ZFEGUAHHJNMRJE-UHFFFAOYSA-N 2 0 339.483 3.170 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001271578008 1377640528 /nfs/dbraw/zinc/64/05/28/1377640528.db2.gz ZLHDLBXHTYTNCL-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP CC(=O)Oc1cccc(C[N@H+](C2CCCC2)C2CCN(C)CC2)c1 ZINC001138046701 1377670988 /nfs/dbraw/zinc/67/09/88/1377670988.db2.gz WNQBRSCOPINJGY-UHFFFAOYSA-N 2 0 330.472 3.451 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138111636 1377678950 /nfs/dbraw/zinc/67/89/50/1377678950.db2.gz LTVVQXCUPUOJJC-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP CCc1cccc2c(C[NH+]3CCN(CC[NH+](CC)CC)CC3)c[nH]c21 ZINC001138360434 1377709350 /nfs/dbraw/zinc/70/93/50/1377709350.db2.gz XEYVHLBRIQYPAR-UHFFFAOYSA-N 2 0 342.531 3.190 20 0 EGADRP COc1c(C)cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1C ZINC001138429041 1377722708 /nfs/dbraw/zinc/72/27/08/1377722708.db2.gz RQVPAYQQJWOGCS-UHFFFAOYSA-N 2 0 335.536 3.017 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cncn2Cc2ccccc2)CC1 ZINC001138565087 1377743079 /nfs/dbraw/zinc/74/30/79/1377743079.db2.gz HMCHWYXWGKKLQY-UHFFFAOYSA-N 2 0 340.515 3.484 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001138770299 1377782300 /nfs/dbraw/zinc/78/23/00/1377782300.db2.gz YODNWBVNVNBAQV-INIZCTEOSA-N 2 0 330.394 3.196 20 0 EGADRP CCC[N@H+](CCc1ccccn1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138773136 1377782407 /nfs/dbraw/zinc/78/24/07/1377782407.db2.gz RPQMXKNBQDIKTC-UHFFFAOYSA-N 2 0 341.499 3.477 20 0 EGADRP CCCCOc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001138953529 1377807991 /nfs/dbraw/zinc/80/79/91/1377807991.db2.gz AHDSBOGBFDYVRC-LEWJYISDSA-N 2 0 345.531 3.076 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139537657 1377900459 /nfs/dbraw/zinc/90/04/59/1377900459.db2.gz BUJHBNLOZOEFJO-UHFFFAOYSA-N 2 0 340.393 3.355 20 0 EGADRP CN(Cc1cnc2c(c1)OCCO2)C1CC[NH+](C2CCCCC2)CC1 ZINC001139737098 1377944182 /nfs/dbraw/zinc/94/41/82/1377944182.db2.gz BGKZNVOSWMWUCU-UHFFFAOYSA-N 2 0 345.487 3.082 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2cncc3ccccc32)CC1 ZINC001139894975 1377974421 /nfs/dbraw/zinc/97/44/21/1377974421.db2.gz NCHRSKLVMUMRPL-HXUWFJFHSA-N 2 0 339.483 3.310 20 0 EGADRP Cn1ncc2ccc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)cc21 ZINC001139908964 1377975112 /nfs/dbraw/zinc/97/51/12/1377975112.db2.gz QMBOWXYHRSBGFQ-UHFFFAOYSA-N 2 0 326.488 3.127 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097574 1378007255 /nfs/dbraw/zinc/00/72/55/1378007255.db2.gz WUDSOIDECNONQG-GOSISDBHSA-N 2 0 331.460 3.477 20 0 EGADRP CC(C)CN1CC[C@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272719828 1378080635 /nfs/dbraw/zinc/08/06/35/1378080635.db2.gz WAFPWOKXWATVQL-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)CN1CC[C@@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272719827 1378080932 /nfs/dbraw/zinc/08/09/32/1378080932.db2.gz WAFPWOKXWATVQL-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CC/C=C\CCCCC[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273135559 1378089932 /nfs/dbraw/zinc/08/99/32/1378089932.db2.gz PVXSULFLIOFHMG-VOFKWLDRSA-N 2 0 349.563 3.293 20 0 EGADRP FC(F)(F)CCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001275165198 1378136241 /nfs/dbraw/zinc/13/62/41/1378136241.db2.gz CUMXSXPWGHPGIU-LSDHHAIUSA-N 2 0 330.398 3.277 20 0 EGADRP Cc1cc(Br)c(F)cc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001140795449 1378138818 /nfs/dbraw/zinc/13/88/18/1378138818.db2.gz APQUWAKQHJOQMM-UHFFFAOYSA-N 2 0 341.268 3.424 20 0 EGADRP Cc1cccc(Cl)c1C[NH+]1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001275634566 1378148798 /nfs/dbraw/zinc/14/87/98/1378148798.db2.gz RBMYTJKCJXANHK-HDICACEKSA-N 2 0 349.950 3.354 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721506 1378152387 /nfs/dbraw/zinc/15/23/87/1378152387.db2.gz IJBNCISQKPXRPQ-FQEVSTJZSA-N 2 0 338.455 3.187 20 0 EGADRP CC(C)(C)c1nc[nH]c1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001275744716 1378155310 /nfs/dbraw/zinc/15/53/10/1378155310.db2.gz ASQRJXQJDBMRDM-UHFFFAOYSA-N 2 0 341.503 3.133 20 0 EGADRP Nc1cccc(F)c1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001140873258 1378164959 /nfs/dbraw/zinc/16/49/59/1378164959.db2.gz CUSVKDCURVWOIV-UHFFFAOYSA-N 2 0 343.446 3.489 20 0 EGADRP Fc1cncc(C[NH+]2CCC3(C[NH+](CCCC(F)(F)F)C3)CC2)c1 ZINC001276336490 1378172242 /nfs/dbraw/zinc/17/22/42/1378172242.db2.gz MZERRCWPHOHYOI-UHFFFAOYSA-N 2 0 345.384 3.461 20 0 EGADRP CCSc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277463904 1378224347 /nfs/dbraw/zinc/22/43/47/1378224347.db2.gz QQKJTEXPOZCBPF-HDICACEKSA-N 2 0 333.545 3.009 20 0 EGADRP CCN(C(=O)C1CC[NH+](C2CC[NH+](CCC3CC3)CC2)CC1)C(C)C ZINC001278211563 1378263456 /nfs/dbraw/zinc/26/34/56/1378263456.db2.gz NPWTXFYMYYMOLZ-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001282677748 1378547872 /nfs/dbraw/zinc/54/78/72/1378547872.db2.gz GPJRDIHSMVDIED-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP O=C(c1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550772 1388558691 /nfs/dbraw/zinc/55/86/91/1388558691.db2.gz KBDKNLRXJKMGJS-PMACEKPBSA-N 2 0 341.499 3.029 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C(F)(F)F)c1 ZINC001143478521 1378602024 /nfs/dbraw/zinc/60/20/24/1378602024.db2.gz HVFZYOHVBIUPHH-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP Oc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144269256 1378708073 /nfs/dbraw/zinc/70/80/73/1378708073.db2.gz IHJIVZAMMVVSAV-OALUTQOASA-N 2 0 337.467 3.131 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001144717694 1378763331 /nfs/dbraw/zinc/76/33/31/1378763331.db2.gz DYBUXGXIPYYPGO-UHFFFAOYSA-N 2 0 333.520 3.121 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccccc1 ZINC001146397590 1378834081 /nfs/dbraw/zinc/83/40/81/1378834081.db2.gz FXEPWPUTJPZJST-MOPGFXCFSA-N 2 0 345.531 3.326 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533500 1378861598 /nfs/dbraw/zinc/86/15/98/1378861598.db2.gz GQWXFAPNILSTEM-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535782 1378861981 /nfs/dbraw/zinc/86/19/81/1378861981.db2.gz OMDWSJROEWCYRJ-RTBURBONSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)cc1 ZINC001146534615 1378862058 /nfs/dbraw/zinc/86/20/58/1378862058.db2.gz KBBCMJORKVOYPM-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]CCC1CCCC1 ZINC001146535321 1378862800 /nfs/dbraw/zinc/86/28/00/1378862800.db2.gz MDGSLTMCYQMDBS-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001146593210 1378873029 /nfs/dbraw/zinc/87/30/29/1378873029.db2.gz OMUPKKYFQRKQPI-GJZGRUSLSA-N 2 0 339.911 3.053 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(CC)cc1 ZINC001147359114 1379008704 /nfs/dbraw/zinc/00/87/04/1379008704.db2.gz LIGVEDONDGQARJ-HXUWFJFHSA-N 2 0 345.531 3.109 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001147359951 1379008925 /nfs/dbraw/zinc/00/89/25/1379008925.db2.gz XSFKILVOOWDPKO-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP CCC/C=C\CC[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147450038 1379023392 /nfs/dbraw/zinc/02/33/92/1379023392.db2.gz WGXJFDSLYXQKPG-HJWRWDBZSA-N 2 0 325.541 3.341 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147658378 1379056500 /nfs/dbraw/zinc/05/65/00/1379056500.db2.gz RTHGNLXCVZRLSW-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001147658675 1379056633 /nfs/dbraw/zinc/05/66/33/1379056633.db2.gz WYBALOBCZJEGLU-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001283618831 1379057209 /nfs/dbraw/zinc/05/72/09/1379057209.db2.gz WNLSTPLJEDBNLP-WMZOPIPTSA-N 2 0 339.568 3.226 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147742907 1379070238 /nfs/dbraw/zinc/07/02/38/1379070238.db2.gz UCSWENZQJONLMJ-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@@H+]2CCC3(CN(C(=O)CCC[NH+](C)C)C3)C2)C1 ZINC001148174840 1379128902 /nfs/dbraw/zinc/12/89/02/1379128902.db2.gz YCQOMNAYBYBWFA-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284963 1379146339 /nfs/dbraw/zinc/14/63/39/1379146339.db2.gz LBHCSPGZUDMNBB-VYENPZKTSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001148365546 1379157475 /nfs/dbraw/zinc/15/74/75/1379157475.db2.gz SJBCBRSJUFSPKM-KRWDZBQOSA-N 2 0 339.911 3.229 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)C2 ZINC001148458131 1379175898 /nfs/dbraw/zinc/17/58/98/1379175898.db2.gz KJKIWADXQFRJBE-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477120 1379181695 /nfs/dbraw/zinc/18/16/95/1379181695.db2.gz JJVWOSHANYEIBA-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605726 1379224122 /nfs/dbraw/zinc/22/41/22/1379224122.db2.gz SRQXVHXBMHFKBH-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@H+](CCC1=CCCCC1)C2 ZINC001148625817 1379229069 /nfs/dbraw/zinc/22/90/69/1379229069.db2.gz LBSFTQFBHISWAJ-UHFFFAOYSA-N 2 0 347.547 3.143 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001148643196 1379233196 /nfs/dbraw/zinc/23/31/96/1379233196.db2.gz UPQQXVAPDLQGNF-MRXNPFEDSA-N 2 0 333.520 3.093 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900296 1379294507 /nfs/dbraw/zinc/29/45/07/1379294507.db2.gz YSTGCCFETWMOBM-ARJAWSKDSA-N 2 0 347.547 3.143 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001152393995 1379925404 /nfs/dbraw/zinc/92/54/04/1379925404.db2.gz VXAFNKUEFOSWRN-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001152470484 1379939929 /nfs/dbraw/zinc/93/99/29/1379939929.db2.gz BVTSCYOXTBDSDG-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1C ZINC001152480507 1379940599 /nfs/dbraw/zinc/94/05/99/1379940599.db2.gz VQVOWQDQZVTKAD-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+]CC1CCCCCC1)[NH+]1CCCCC1 ZINC001152479762 1379940837 /nfs/dbraw/zinc/94/08/37/1379940837.db2.gz JVRNFLRGHWFXAK-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313906 1380053096 /nfs/dbraw/zinc/05/30/96/1380053096.db2.gz ZAQYBKVKSUDKMM-UYAOXDASSA-N 2 0 345.531 3.194 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153315075 1380054645 /nfs/dbraw/zinc/05/46/45/1380054645.db2.gz WRJHSTSCYGDZQF-SFHVURJKSA-N 2 0 331.504 3.028 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388232 1380068514 /nfs/dbraw/zinc/06/85/14/1380068514.db2.gz XBNITWBPJSQZFW-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1 ZINC001153728729 1380119452 /nfs/dbraw/zinc/11/94/52/1380119452.db2.gz UWUQRONIVUDVLZ-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153802306 1380132349 /nfs/dbraw/zinc/13/23/49/1380132349.db2.gz IUBBTHLBWBQHGU-HKVOBHHDSA-N 2 0 337.552 3.147 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083427 1380201409 /nfs/dbraw/zinc/20/14/09/1380201409.db2.gz VUAJYUOGQZEDPH-QGZVFWFLSA-N 2 0 348.535 3.171 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099882 1380207905 /nfs/dbraw/zinc/20/79/05/1380207905.db2.gz SSNMWECBAMKVJW-MRXNPFEDSA-N 2 0 325.541 3.266 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154122501 1380212599 /nfs/dbraw/zinc/21/25/99/1380212599.db2.gz DGFVKOSGIBBLHE-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167656 1380220065 /nfs/dbraw/zinc/22/00/65/1380220065.db2.gz NVTPKLRQNIBTLQ-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCC1)C1CC([NH2+]CCC2CCCC2)C1 ZINC001284819167 1380245091 /nfs/dbraw/zinc/24/50/91/1380245091.db2.gz UJIJZAHCGAEPJV-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844451 1380363834 /nfs/dbraw/zinc/36/38/34/1380363834.db2.gz HZCKPNOIYMACPV-KSZLIROESA-N 2 0 339.568 3.370 20 0 EGADRP F[C@@]1(CNc2ncnc3c2ccn3C2CCCC2)CCCC[NH2+]C1 ZINC001155117765 1380411718 /nfs/dbraw/zinc/41/17/18/1380411718.db2.gz SOQUFSXPWUZOMT-SFHVURJKSA-N 2 0 331.439 3.440 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF)[NH+](CC)CC ZINC001155180472 1380420292 /nfs/dbraw/zinc/42/02/92/1380420292.db2.gz AHNBKJWFTLQYHC-SJORKVTESA-N 2 0 331.520 3.073 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255241 1380429354 /nfs/dbraw/zinc/42/93/54/1380429354.db2.gz OMPSOKKERKDXSO-RTBURBONSA-N 2 0 347.547 3.034 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\c1ccccc1)[NH+](C)C ZINC001155289144 1380433644 /nfs/dbraw/zinc/43/36/44/1380433644.db2.gz LPPGJVVTKQCDEE-DGZYFTDXSA-N 2 0 345.531 3.257 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[C@H](C)n1ccnc1 ZINC001155520718 1380463598 /nfs/dbraw/zinc/46/35/98/1380463598.db2.gz AKCIWDZRSNOZJU-DLBZAZTESA-N 2 0 346.519 3.241 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838910 1380497973 /nfs/dbraw/zinc/49/79/73/1380497973.db2.gz HEJVOQBZWNELRX-QGZVFWFLSA-N 2 0 333.520 3.379 20 0 EGADRP Cc1cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C[NH3+])c1 ZINC001156317737 1380557298 /nfs/dbraw/zinc/55/72/98/1380557298.db2.gz NEWXXAJVIJTGFG-YSIASYRMSA-N 2 0 336.483 3.171 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(CC)cc1 ZINC001156517500 1380586992 /nfs/dbraw/zinc/58/69/92/1380586992.db2.gz YQCRZVOCNZGLPJ-GOSISDBHSA-N 2 0 347.547 3.308 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C(C)C ZINC001156529511 1380588644 /nfs/dbraw/zinc/58/86/44/1380588644.db2.gz CKUWSRAIXLWGQL-GOSISDBHSA-N 2 0 347.547 3.478 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCc1cccc(C)c1 ZINC001156530667 1380589448 /nfs/dbraw/zinc/58/94/48/1380589448.db2.gz SUCQHQBVPOGRKH-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CCCC[NH+](CCCC)CCNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001156905109 1380722611 /nfs/dbraw/zinc/72/26/11/1380722611.db2.gz GIAIIIPJTQRWGZ-UHFFFAOYSA-N 2 0 347.551 3.323 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092512 1380774220 /nfs/dbraw/zinc/77/42/20/1380774220.db2.gz YODBJOYAEQIGQY-LJQANCHMSA-N 2 0 345.531 3.198 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098627 1380774989 /nfs/dbraw/zinc/77/49/89/1380774989.db2.gz PLBZQZZGYDLETP-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118574 1380780093 /nfs/dbraw/zinc/78/00/93/1380780093.db2.gz IJKQGVSAHRLUSE-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158032665 1381107921 /nfs/dbraw/zinc/10/79/21/1381107921.db2.gz WHLJCHDNBNITDO-FQEVSTJZSA-N 2 0 337.552 3.271 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1cccc(F)c1 ZINC001158079655 1381122250 /nfs/dbraw/zinc/12/22/50/1381122250.db2.gz KTERAZWQDYLSBN-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082713 1381123369 /nfs/dbraw/zinc/12/33/69/1381123369.db2.gz IYGNDROWCWEIKP-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100241 1381127564 /nfs/dbraw/zinc/12/75/64/1381127564.db2.gz YTSASAHYLAPBDF-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185217 1381151494 /nfs/dbraw/zinc/15/14/94/1381151494.db2.gz DFUODDSUIOFADW-GOSISDBHSA-N 2 0 340.471 3.227 20 0 EGADRP Cc1cc(N2CCCC2)nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001158259217 1381175116 /nfs/dbraw/zinc/17/51/16/1381175116.db2.gz GGPHAEHXUPWBPQ-BEFAXECRSA-N 2 0 331.508 3.341 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158290112 1381187095 /nfs/dbraw/zinc/18/70/95/1381187095.db2.gz XLWBLWUMJNZLCY-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC001158445731 1381248610 /nfs/dbraw/zinc/24/86/10/1381248610.db2.gz OSYGAPAMEANBAX-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449601 1381249678 /nfs/dbraw/zinc/24/96/78/1381249678.db2.gz CZINTUZHBQHYSK-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158474344 1381257835 /nfs/dbraw/zinc/25/78/35/1381257835.db2.gz XQDWEYUHTWRXPO-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486749 1381264116 /nfs/dbraw/zinc/26/41/16/1381264116.db2.gz JCQXCWIRTDJLOV-AMQGLKLZSA-N 2 0 337.552 3.386 20 0 EGADRP C[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1)[NH+]1CCCCCC1 ZINC001158550253 1381294268 /nfs/dbraw/zinc/29/42/68/1381294268.db2.gz UDTJLUPQWVEXQY-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC1(C)CC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001159012320 1381509242 /nfs/dbraw/zinc/50/92/42/1381509242.db2.gz POJHGCYQQMTHDQ-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP [NH3+][C@@H]1CCc2nc(Nc3ccc(C4CC[NH2+]CC4)cc3)sc2C1 ZINC001159138519 1381651073 /nfs/dbraw/zinc/65/10/73/1381651073.db2.gz HJYOCBKRCDTEJH-CQSZACIVSA-N 2 0 328.485 3.170 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159155577 1381677187 /nfs/dbraw/zinc/67/71/87/1381677187.db2.gz QHBHQNBDVXYGJT-SREVYHEPSA-N 2 0 337.533 3.266 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001159169624 1381709593 /nfs/dbraw/zinc/70/95/93/1381709593.db2.gz IDPGRGNVWYWJPP-UHFFFAOYSA-N 2 0 337.533 3.100 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001159335337 1381767836 /nfs/dbraw/zinc/76/78/36/1381767836.db2.gz YKORYLFZGOEJIR-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001159335265 1381767852 /nfs/dbraw/zinc/76/78/52/1381767852.db2.gz XEWNOLWNFMCBGH-QUCCMNQESA-N 2 0 345.531 3.335 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001159355369 1381774560 /nfs/dbraw/zinc/77/45/60/1381774560.db2.gz DNEHIIYPYMNKDR-MJGOQNOKSA-N 2 0 331.504 3.026 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCCCC2)CC1 ZINC001159628513 1381852647 /nfs/dbraw/zinc/85/26/47/1381852647.db2.gz KQAQEQSTDLTXIR-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP c1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc(C2CC[NH2+]CC2)c1 ZINC001159757024 1381891104 /nfs/dbraw/zinc/89/11/04/1381891104.db2.gz HTPHDHDLGNORRU-UHFFFAOYSA-N 2 0 336.483 3.307 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3ccc([C@@H]4CC[NH2+]C4)cc3)cc2)CC1 ZINC001159776987 1381896750 /nfs/dbraw/zinc/89/67/50/1381896750.db2.gz XVEBUXLUFRYBQU-GOSISDBHSA-N 2 0 336.483 3.259 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC001159785836 1381898841 /nfs/dbraw/zinc/89/88/41/1381898841.db2.gz UFTACUKMTBXSST-IBGZPJMESA-N 2 0 333.439 3.246 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC001159823238 1381911780 /nfs/dbraw/zinc/91/17/80/1381911780.db2.gz VYMDNGRFRUJOQY-UXHICEINSA-N 2 0 345.531 3.212 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(C[NH3+])ncn3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001159887776 1381928835 /nfs/dbraw/zinc/92/88/35/1381928835.db2.gz VBLHDBHEKLDYKD-GZXFCSGKSA-N 2 0 345.535 3.306 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001159902224 1381932724 /nfs/dbraw/zinc/93/27/24/1381932724.db2.gz VCTWXCXWWALAQL-HSSRVXSRSA-N 2 0 343.515 3.059 20 0 EGADRP c1cc(O[C@H]2CC[NH2+]C2)ccc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001159923551 1381939339 /nfs/dbraw/zinc/93/93/39/1381939339.db2.gz QAIKYQBITOXCPI-QUCCMNQESA-N 2 0 327.472 3.371 20 0 EGADRP Cc1cc(Nc2ccc(Br)c3c2C[NH2+]CC3)cc(C)[nH+]1 ZINC001159941918 1381943607 /nfs/dbraw/zinc/94/36/07/1381943607.db2.gz NIIQOTXXCUKBAF-UHFFFAOYSA-N 2 0 332.245 3.272 20 0 EGADRP Cc1[nH]c2ccc(Nc3cc(F)ccc3N3CC[C@@H]([NH3+])C3)cc2[nH+]1 ZINC001160056306 1381984544 /nfs/dbraw/zinc/98/45/44/1381984544.db2.gz TVTRMGJCMWFOJJ-CYBMUJFWSA-N 2 0 325.391 3.291 20 0 EGADRP Fc1cccc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1N1CC[NH2+]CC1 ZINC001160115561 1382001470 /nfs/dbraw/zinc/00/14/70/1382001470.db2.gz DZHAHCWKFYXKIF-SFHVURJKSA-N 2 0 340.446 3.403 20 0 EGADRP C[NH+]1CCC(COc2ccc(NC=C3CC[NH2+]CC3)cc2F)CC1 ZINC001160164573 1382022309 /nfs/dbraw/zinc/02/23/09/1382022309.db2.gz HTHDVNGPPDWOOU-UHFFFAOYSA-N 2 0 333.451 3.226 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001160169103 1382023138 /nfs/dbraw/zinc/02/31/38/1382023138.db2.gz JIBNDAQQVVBASM-YLJYHZDGSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2=CC[N@H+](CC3CCCCC3)CC2)CCC1 ZINC001160360361 1382083180 /nfs/dbraw/zinc/08/31/80/1382083180.db2.gz PPMZBCCZDABLMM-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1)C1CC1 ZINC001160360284 1382083211 /nfs/dbraw/zinc/08/32/11/1382083211.db2.gz NGFHLLNQQLHZHE-IBGZPJMESA-N 2 0 349.563 3.291 20 0 EGADRP c1cc2c(c(NC3=CC[C@@H]([NH+]4CCCC4)CC3)c1)[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394960 1382092533 /nfs/dbraw/zinc/09/25/33/1382092533.db2.gz NTCARNLZUYXTHF-MDZRGWNJSA-N 2 0 325.456 3.079 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001160427915 1382100886 /nfs/dbraw/zinc/10/08/86/1382100886.db2.gz XNVYIJSGDPMFAR-YOEHRIQHSA-N 2 0 339.911 3.083 20 0 EGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001290680866 1382103497 /nfs/dbraw/zinc/10/34/97/1382103497.db2.gz JURHFWPUDOTMPS-FGTMMUONSA-N 2 0 325.541 3.074 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160499369 1382124409 /nfs/dbraw/zinc/12/44/09/1382124409.db2.gz CGQQUMBQWUCGBH-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](Cc2ccsc2)CC1 ZINC001160519018 1382129191 /nfs/dbraw/zinc/12/91/91/1382129191.db2.gz VEOOTISGSCYRLZ-UHFFFAOYSA-N 2 0 349.544 3.117 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001160518575 1382129332 /nfs/dbraw/zinc/12/93/32/1382129332.db2.gz PBKWCJHOTPWQGU-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cn1 ZINC001160666341 1382165324 /nfs/dbraw/zinc/16/53/24/1382165324.db2.gz VJJXXVSZQICDGX-SFHVURJKSA-N 2 0 338.499 3.279 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N(C)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001160696070 1382173279 /nfs/dbraw/zinc/17/32/79/1382173279.db2.gz UDJAANVFRDYSCU-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160857270 1382218032 /nfs/dbraw/zinc/21/80/32/1382218032.db2.gz XRKKTSUIAYLTGF-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001160883380 1382223376 /nfs/dbraw/zinc/22/33/76/1382223376.db2.gz LIAHLJVANWZEOT-HXUWFJFHSA-N 2 0 341.499 3.084 20 0 EGADRP CC(C)C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC001292956355 1382237609 /nfs/dbraw/zinc/23/76/09/1382237609.db2.gz OULKSCZEOCMZML-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP [NH3+]CCc1cn(-c2ccc(-c3ccc(F)cc3)nn2)c2cc[nH+]cc12 ZINC001160951894 1382248779 /nfs/dbraw/zinc/24/87/79/1382248779.db2.gz NURHKZSOIGKRGW-UHFFFAOYSA-N 2 0 333.370 3.123 20 0 EGADRP Cc1cccc2nc(Cl)nc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c12 ZINC001160949719 1382249111 /nfs/dbraw/zinc/24/91/11/1382249111.db2.gz BIKSHIQQBPRMOB-UHFFFAOYSA-N 2 0 337.814 3.432 20 0 EGADRP COc1ccc2c(C)cc(-n3cc(CC[NH3+])c4c[nH+]ccc43)nc2c1 ZINC001160950940 1382249464 /nfs/dbraw/zinc/24/94/64/1382249464.db2.gz VFQKEYZGBAOYDT-UHFFFAOYSA-N 2 0 332.407 3.392 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161036196 1382279073 /nfs/dbraw/zinc/27/90/73/1382279073.db2.gz FOJDOIYOMDTPRE-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CN(C(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060488 1382286549 /nfs/dbraw/zinc/28/65/49/1382286549.db2.gz BSTJYWIBPAQDJV-RBSFLKMASA-N 2 0 344.286 3.112 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161207261 1382341439 /nfs/dbraw/zinc/34/14/39/1382341439.db2.gz RORAVXUNAAPHSK-GOSISDBHSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001161240378 1382352008 /nfs/dbraw/zinc/35/20/08/1382352008.db2.gz VEEVWPKMFKOFQR-PXNSSMCTSA-N 2 0 343.515 3.226 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390848 1382395865 /nfs/dbraw/zinc/39/58/65/1382395865.db2.gz LVXFJMKWWXQHQB-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001161644927 1382468272 /nfs/dbraw/zinc/46/82/72/1382468272.db2.gz VGEFNONLXPQPLQ-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCC(C)CC2)CC1 ZINC001161645587 1382469658 /nfs/dbraw/zinc/46/96/58/1382469658.db2.gz MXBJUCBTOCMGHJ-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795313 1382508010 /nfs/dbraw/zinc/50/80/10/1382508010.db2.gz BLWDYMYMOBMBAU-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924883 1382554866 /nfs/dbraw/zinc/55/48/66/1382554866.db2.gz OGBZIXAGQGYQPF-ROUUACIJSA-N 2 0 335.536 3.044 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1c(Cl)ncc(Cl)c1Cl ZINC001162291270 1382722902 /nfs/dbraw/zinc/72/29/02/1382722902.db2.gz BDEZKBQWELQFAQ-UHFFFAOYSA-N 2 0 325.671 3.172 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC001162617130 1382810658 /nfs/dbraw/zinc/81/06/58/1382810658.db2.gz BITYYALDWVHXSK-UHFFFAOYSA-N 2 0 342.487 3.404 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001162617521 1382811259 /nfs/dbraw/zinc/81/12/59/1382811259.db2.gz LDCPGCNVVKAAOY-UHFFFAOYSA-N 2 0 340.471 3.014 20 0 EGADRP [NH3+]CCc1cn(-c2cc(-n3ccnc3)cc[nH+]2)c2cccc(Cl)c12 ZINC001162660985 1382825330 /nfs/dbraw/zinc/82/53/30/1382825330.db2.gz KVZUNPMAFIBFOE-UHFFFAOYSA-N 2 0 337.814 3.366 20 0 EGADRP c1cc(N2CCCCC2)cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001162958112 1382928063 /nfs/dbraw/zinc/92/80/63/1382928063.db2.gz XWZGLBLSLBQTTB-GOSISDBHSA-N 2 0 344.503 3.033 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1cccc(F)c1 ZINC001163290423 1383013289 /nfs/dbraw/zinc/01/32/89/1383013289.db2.gz FXGJQWDFPOMVQB-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)cc21 ZINC001163328036 1383023008 /nfs/dbraw/zinc/02/30/08/1383023008.db2.gz NZPJQGDUMMMYLD-FXAWDEMLSA-N 2 0 327.472 3.011 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](Nc2cccc(OCC[NH+]3CCCC3)n2)[C@@H](C)C1 ZINC001163366277 1383032916 /nfs/dbraw/zinc/03/29/16/1383032916.db2.gz TZOUTVHRIQRZGO-ZWKOTPCHSA-N 2 0 346.519 3.087 20 0 EGADRP Cc1cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)nc2c1C[NH2+]CC2 ZINC001163896727 1383133948 /nfs/dbraw/zinc/13/39/48/1383133948.db2.gz GUSYQZVKAUMOPP-UHFFFAOYSA-N 2 0 326.831 3.092 20 0 EGADRP CC(C)CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500834 1383193823 /nfs/dbraw/zinc/19/38/23/1383193823.db2.gz HTFBQNSAXSLRKW-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531960 1383196952 /nfs/dbraw/zinc/19/69/52/1383196952.db2.gz YAMXUYSGIBTHRG-QVOQXLMASA-N 2 0 347.547 3.093 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@H]([NH3+])C(F)(F)C2)nc1 ZINC001165127128 1383233563 /nfs/dbraw/zinc/23/35/63/1383233563.db2.gz CMYVZURXGJEJQV-JKSUJKDBSA-N 2 0 338.446 3.191 20 0 EGADRP CN(C)c1cccc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)[nH+]1 ZINC001165151050 1383238132 /nfs/dbraw/zinc/23/81/32/1383238132.db2.gz YBUYLHCKGBWVRY-UHFFFAOYSA-N 2 0 336.483 3.175 20 0 EGADRP COc1cc(NC=CC2CC[NH2+]CC2)ccc1OCC[NH+]1CCCC1 ZINC001165213818 1383250276 /nfs/dbraw/zinc/25/02/76/1383250276.db2.gz UMTUHWJMJYZCIZ-FLIBITNWSA-N 2 0 345.487 3.095 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001165246503 1383257574 /nfs/dbraw/zinc/25/75/74/1383257574.db2.gz RNSWZYXWMWLGRN-UHFFFAOYSA-N 2 0 347.503 3.021 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473277 1383300124 /nfs/dbraw/zinc/30/01/24/1383300124.db2.gz ZGGPQGJJYGNUEE-UEKDZROGSA-N 2 0 349.563 3.482 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165765069 1383341999 /nfs/dbraw/zinc/34/19/99/1383341999.db2.gz XPVQCFAHYBHTFK-DUMMIQTOSA-N 2 0 335.536 3.093 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166403944 1383419133 /nfs/dbraw/zinc/41/91/33/1383419133.db2.gz QYIWVIVTWUUBLC-WAYWQWQTSA-N 2 0 349.563 3.483 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CCCc1cccc(C)c1)[NH+](CC)CC ZINC001166439655 1383422738 /nfs/dbraw/zinc/42/27/38/1383422738.db2.gz JIRMKROWTNCSLV-FQEVSTJZSA-N 2 0 347.547 3.144 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC1CCC(F)(F)CC1)[NH+](CC)CC ZINC001166447059 1383423647 /nfs/dbraw/zinc/42/36/47/1383423647.db2.gz GTCMLGAXNJUJMN-INIZCTEOSA-N 2 0 347.494 3.028 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001166979244 1383508594 /nfs/dbraw/zinc/50/85/94/1383508594.db2.gz PKEDKWHIKZBHDL-UHFFFAOYSA-N 2 0 347.547 3.095 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CC2(CCNC(=O)CC[NH+](C)C)CC2)c1 ZINC001166987796 1383510788 /nfs/dbraw/zinc/51/07/88/1383510788.db2.gz VOSYNSPERFMEOV-GOSISDBHSA-N 2 0 345.531 3.192 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001167044616 1383527335 /nfs/dbraw/zinc/52/73/35/1383527335.db2.gz LZWMVWRISWTPCU-LJQANCHMSA-N 2 0 349.563 3.339 20 0 EGADRP [NH3+]C1CCN(c2cccc(N3CC[C@H](C4CCCCC4)C3)[nH+]2)CC1 ZINC001167068174 1383532587 /nfs/dbraw/zinc/53/25/87/1383532587.db2.gz OSURMUXTBODBRR-KRWDZBQOSA-N 2 0 328.504 3.416 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001167232442 1383570952 /nfs/dbraw/zinc/57/09/52/1383570952.db2.gz CPYAXXSXXPYEPD-SFHVURJKSA-N 2 0 349.563 3.175 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240528 1383573301 /nfs/dbraw/zinc/57/33/01/1383573301.db2.gz LVRNQSXYSCUESE-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001167261206 1383577871 /nfs/dbraw/zinc/57/78/71/1383577871.db2.gz ZIMGPQLFMYWYDJ-SFHVURJKSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385545 1383618784 /nfs/dbraw/zinc/61/87/84/1383618784.db2.gz IJZQQQUXMPWJEO-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385826 1383619187 /nfs/dbraw/zinc/61/91/87/1383619187.db2.gz VAVLDXDMHLWXJW-SFHVURJKSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460498 1383638884 /nfs/dbraw/zinc/63/88/84/1383638884.db2.gz DMZKZLHZXBCYAZ-UHFFFAOYSA-N 2 0 343.515 3.204 20 0 EGADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001167478827 1383645412 /nfs/dbraw/zinc/64/54/12/1383645412.db2.gz YXKWTQGMLKRADK-NRFANRHFSA-N 3 0 329.532 3.446 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001167484030 1383647363 /nfs/dbraw/zinc/64/73/63/1383647363.db2.gz OUCGNQAQTYASSX-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001167636585 1383694734 /nfs/dbraw/zinc/69/47/34/1383694734.db2.gz VSVTXPLCCJHCGO-APWZRJJASA-N 2 0 349.494 3.246 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001167667719 1383704814 /nfs/dbraw/zinc/70/48/14/1383704814.db2.gz MACRSJSORFIJBU-MSOLQXFVSA-N 2 0 337.552 3.031 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167699450 1383715311 /nfs/dbraw/zinc/71/53/11/1383715311.db2.gz KDZFBGWGOXCSBL-HXUWFJFHSA-N 2 0 345.531 3.140 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccnc2[nH]cc(C[NH+](C)C)c21 ZINC001167753138 1383730269 /nfs/dbraw/zinc/73/02/69/1383730269.db2.gz LGBVFDFIUSGNRF-OAHLLOKOSA-N 2 0 329.492 3.301 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001167783837 1383739972 /nfs/dbraw/zinc/73/99/72/1383739972.db2.gz GKVNSXRDDXUCTF-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCCCN2C(C)=O)CC1 ZINC001167822853 1383749010 /nfs/dbraw/zinc/74/90/10/1383749010.db2.gz AGYSMCLVHUBBKP-SFHVURJKSA-N 2 0 337.552 3.364 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001167824394 1383749566 /nfs/dbraw/zinc/74/95/66/1383749566.db2.gz OKSXOZCSWSSLBL-GSEOLPGOSA-N 2 0 338.536 3.155 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2ccc(OC)cn2)CC1 ZINC001167836400 1383754715 /nfs/dbraw/zinc/75/47/15/1383754715.db2.gz ZIEMPZAJHHDUNU-QGZVFWFLSA-N 2 0 349.519 3.444 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1nnc(-c2cccs2)c2ccccc21 ZINC001167880174 1383764464 /nfs/dbraw/zinc/76/44/64/1383764464.db2.gz AHSQTHZVEDQWPG-UHFFFAOYSA-N 2 0 340.456 3.033 20 0 EGADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(OCc2ccccc2F)cc1 ZINC001167882349 1383764971 /nfs/dbraw/zinc/76/49/71/1383764971.db2.gz QDQBZCGWRJTOLI-UHFFFAOYSA-N 2 0 330.407 3.080 20 0 EGADRP Cc1c(Cl)cc(Br)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167881083 1383765072 /nfs/dbraw/zinc/76/50/72/1383765072.db2.gz DAKSRMPMCCUMSC-UHFFFAOYSA-N 2 0 333.661 3.086 20 0 EGADRP C(OC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935731 1383772367 /nfs/dbraw/zinc/77/23/67/1383772367.db2.gz LJQBSRGSPQRUOU-PVIWCNJMSA-N 2 0 344.543 3.245 20 0 EGADRP Fc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)nc1 ZINC001167979101 1383785430 /nfs/dbraw/zinc/78/54/30/1383785430.db2.gz VGFDKODFECKTOZ-AYHJJNSGSA-N 2 0 329.463 3.247 20 0 EGADRP c1cncc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167979042 1383785531 /nfs/dbraw/zinc/78/55/31/1383785531.db2.gz SWAATOIRLGYFNS-IHWFROFDSA-N 2 0 325.500 3.399 20 0 EGADRP C[N@@H+]1CCCC[C@H]1c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)nc1 ZINC001167991033 1383789763 /nfs/dbraw/zinc/78/97/63/1383789763.db2.gz FFSQKKSZHMDATI-INIZCTEOSA-N 2 0 327.407 3.409 20 0 EGADRP NC(=[NH2+])N(c1ccc(F)cc1)c1cc(C[NH+]2CCCCC2)ccn1 ZINC001167993827 1383790315 /nfs/dbraw/zinc/79/03/15/1383790315.db2.gz WEXNHAGZUSZVHU-UHFFFAOYSA-N 2 0 327.407 3.238 20 0 EGADRP C[C@@H]1C[C@@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018292 1383797833 /nfs/dbraw/zinc/79/78/33/1383797833.db2.gz CMJWHMKXCBZHGQ-WOUAJJJCSA-N 2 0 338.499 3.313 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168020421 1383798781 /nfs/dbraw/zinc/79/87/81/1383798781.db2.gz NACARCKLUXGOOZ-HRQSHJORSA-N 2 0 339.483 3.146 20 0 EGADRP C[C@H]1CC([NH2+]CCC(=O)NC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024209 1383799156 /nfs/dbraw/zinc/79/91/56/1383799156.db2.gz CJKACDXZHNXTBW-IRXDYDNUSA-N 2 0 345.531 3.322 20 0 EGADRP CC[N@@H+]1CCCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039364 1383802709 /nfs/dbraw/zinc/80/27/09/1383802709.db2.gz DOLJOPRWWRCGCK-OALUTQOASA-N 2 0 329.532 3.456 20 0 EGADRP C[C@@H]1CC(N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059879 1383806372 /nfs/dbraw/zinc/80/63/72/1383806372.db2.gz VSCZCWBTKOGFTG-KNKQGSTJSA-N 2 0 341.543 3.456 20 0 EGADRP Cc1nc2c(n1C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C[NH2+]CC2 ZINC001168065307 1383808589 /nfs/dbraw/zinc/80/85/89/1383808589.db2.gz VOUXBFWIOKSHQK-HZPDHXFCSA-N 2 0 338.499 3.451 20 0 EGADRP COC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168068048 1383809270 /nfs/dbraw/zinc/80/92/70/1383809270.db2.gz XDKIPFJMQZDXIR-GCLMUHHRSA-N 2 0 344.499 3.169 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001168298802 1383866863 /nfs/dbraw/zinc/86/68/63/1383866863.db2.gz CVVRMGOYYHRYRS-QOZQQMKHSA-N 2 0 331.287 3.489 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001168312449 1383870945 /nfs/dbraw/zinc/87/09/45/1383870945.db2.gz XMLPUCPIBIZKKH-UHFFFAOYSA-N 2 0 348.491 3.391 20 0 EGADRP C[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001168314527 1383871314 /nfs/dbraw/zinc/87/13/14/1383871314.db2.gz MJANKJNOSCQLSV-KLAILNCOSA-N 2 0 339.524 3.191 20 0 EGADRP C[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001168315493 1383871728 /nfs/dbraw/zinc/87/17/28/1383871728.db2.gz WMZNUOJTKSBQML-RDHHWEPZSA-N 2 0 339.524 3.094 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320792 1383872562 /nfs/dbraw/zinc/87/25/62/1383872562.db2.gz PVUWJURCDHNPNS-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324650 1383873051 /nfs/dbraw/zinc/87/30/51/1383873051.db2.gz SQASTJVSXLEHCE-NJINODPHSA-N 2 0 339.524 3.237 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@H](c2ccccc2)C1 ZINC001168328249 1383874025 /nfs/dbraw/zinc/87/40/25/1383874025.db2.gz BOZZWFGLSKOCAP-OAHAVBBTSA-N 2 0 344.499 3.486 20 0 EGADRP C[NH+]1CCN(C2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 ZINC001168348478 1383880134 /nfs/dbraw/zinc/88/01/34/1383880134.db2.gz YPFHUJRLCLUENK-UHFFFAOYSA-N 2 0 347.934 3.298 20 0 EGADRP [NH3+]C1(c2cccc(Cl)c2)CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168364252 1383884197 /nfs/dbraw/zinc/88/41/97/1383884197.db2.gz AMNUJDCHSOPMMF-UHFFFAOYSA-N 2 0 347.934 3.464 20 0 EGADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001168365627 1383884717 /nfs/dbraw/zinc/88/47/17/1383884717.db2.gz AVOVSFWMNQTZJT-UHFFFAOYSA-N 3 0 333.564 3.353 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168417076 1383900976 /nfs/dbraw/zinc/90/09/76/1383900976.db2.gz NUXXFLVRZGJHHY-ZJOUEHCJSA-N 2 0 346.490 3.434 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168492730 1383923352 /nfs/dbraw/zinc/92/33/52/1383923352.db2.gz WFJJSYHJSGWMQO-GOSISDBHSA-N 2 0 335.511 3.106 20 0 EGADRP CCC1(Nc2ccc([C@H](CC[NH+](C)C)c3ccccn3)cc2)C[NH2+]C1 ZINC001168582458 1383941544 /nfs/dbraw/zinc/94/15/44/1383941544.db2.gz PWMCRCASYLCNSK-IBGZPJMESA-N 2 0 338.499 3.329 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1cc(C)ccc1C ZINC001168595954 1383944701 /nfs/dbraw/zinc/94/47/01/1383944701.db2.gz OJSJTPOASGHOTF-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c[nH+]c2cccc(Br)n12 ZINC001168600935 1383945535 /nfs/dbraw/zinc/94/55/35/1383945535.db2.gz JNKOIRCYTZLOPT-RYUDHWBXSA-N 2 0 337.265 3.382 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168666905 1383964834 /nfs/dbraw/zinc/96/48/34/1383964834.db2.gz MJUVPIVIIVYNAL-LENZSSGSSA-N 2 0 325.541 3.195 20 0 EGADRP C[NH+](C)CC(C)(C)CNc1c[nH+]c2cc(Br)ccn12 ZINC001168768280 1383996905 /nfs/dbraw/zinc/99/69/05/1383996905.db2.gz BFQXMIAMUUYQDR-UHFFFAOYSA-N 2 0 325.254 3.097 20 0 EGADRP COC(=O)C1(C)CCC(N(c2ncccc2C)C2CC[NH2+]CC2)CC1 ZINC001168797180 1384008786 /nfs/dbraw/zinc/00/87/86/1384008786.db2.gz REAWASYNMKFKQP-UHFFFAOYSA-N 2 0 345.487 3.070 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001168828519 1384022263 /nfs/dbraw/zinc/02/22/63/1384022263.db2.gz HLGDCQQXWPTIFH-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1C[C@H](n2cc(CC[NH3+])c3c[nH+]ccc32)CN1C(=O)OC(C)(C)C ZINC001168829485 1384022642 /nfs/dbraw/zinc/02/26/42/1384022642.db2.gz NTCDLXBARIVYQN-HIFRSBDPSA-N 2 0 344.459 3.108 20 0 EGADRP CC(C)CN(C(=O)CN1CCC[C@@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001308001805 1384072023 /nfs/dbraw/zinc/07/20/23/1384072023.db2.gz HQWSLWQHSYEBMS-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CCCN(CC[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308153164 1384101649 /nfs/dbraw/zinc/10/16/49/1384101649.db2.gz FYBQBLVWFPEPBO-UHFFFAOYSA-N 2 0 329.532 3.459 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)C2 ZINC001169101487 1384107191 /nfs/dbraw/zinc/10/71/91/1384107191.db2.gz SRTOVECVAGANJL-LDLYASANSA-N 2 0 330.472 3.115 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])Cc1cccc(C(F)(F)F)c1)C2 ZINC001169110182 1384108706 /nfs/dbraw/zinc/10/87/06/1384108706.db2.gz LIWHASQUOLUGCJ-QKDCVEJESA-N 2 0 325.378 3.440 20 0 EGADRP C[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001308200102 1384108764 /nfs/dbraw/zinc/10/87/64/1384108764.db2.gz UAARTHVRPHRDED-MOPGFXCFSA-N 2 0 329.532 3.361 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccccc3Cl)CC1)C2 ZINC001169115356 1384109263 /nfs/dbraw/zinc/10/92/63/1384109263.db2.gz JHEXWEOTVDMCDP-BCDXTJNWSA-N 2 0 347.934 3.301 20 0 EGADRP C[NH+](C)C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125230 1384110390 /nfs/dbraw/zinc/11/03/90/1384110390.db2.gz WTIHCIAAVIWWQB-FAIWKWDXSA-N 2 0 345.575 3.348 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169146021 1384114421 /nfs/dbraw/zinc/11/44/21/1384114421.db2.gz OFFSPYZPRBDZCD-PIIMJCKOSA-N 2 0 338.499 3.378 20 0 EGADRP CC1(C)C[C@H](Nc2cccc(N3CC[NH2+]CC3)c2)C[C@](C)(C[NH3+])C1 ZINC001169151928 1384115518 /nfs/dbraw/zinc/11/55/18/1384115518.db2.gz NNLFVKHZNMGLLA-PXNSSMCTSA-N 2 0 330.520 3.052 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Br)c(C)s1 ZINC001308327643 1384119407 /nfs/dbraw/zinc/11/94/07/1384119407.db2.gz QAGHXVJLWPONRN-LBPRGKRZSA-N 2 0 349.338 3.265 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001308368293 1384122481 /nfs/dbraw/zinc/12/24/81/1384122481.db2.gz RDRRGXLDFIGSFT-WBVHZDCISA-N 2 0 326.488 3.316 20 0 EGADRP CC[NH+]1CCC(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC001169258545 1384128385 /nfs/dbraw/zinc/12/83/85/1384128385.db2.gz LWSPTJKPTJEKGE-GHTZIAJQSA-N 2 0 329.532 3.313 20 0 EGADRP CC[NH+]1CCC(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001169261496 1384128938 /nfs/dbraw/zinc/12/89/38/1384128938.db2.gz HWNLJVLLIKELOH-OAQYLSRUSA-N 2 0 327.516 3.166 20 0 EGADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169305449 1384134278 /nfs/dbraw/zinc/13/42/78/1384134278.db2.gz KRLNZFLCKQVXSR-YXUAKONQSA-N 2 0 342.483 3.038 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001169691694 1384174069 /nfs/dbraw/zinc/17/40/69/1384174069.db2.gz GBURYNIFRSTILH-GOSISDBHSA-N 2 0 339.524 3.050 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001169810605 1384188089 /nfs/dbraw/zinc/18/80/89/1384188089.db2.gz RIWPEFGPXWEVSV-AZUAARDMSA-N 2 0 345.531 3.162 20 0 EGADRP CC1(C)CC([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CC(C)(C)N1O ZINC001169987773 1384211576 /nfs/dbraw/zinc/21/15/76/1384211576.db2.gz VOVLPYXMKIKYGS-UHFFFAOYSA-N 2 0 345.531 3.433 20 0 EGADRP CC[C@@H]1CC([NH2+]CCCC[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170462591 1384325722 /nfs/dbraw/zinc/32/57/22/1384325722.db2.gz DQVVEORSFGUABR-HZPDHXFCSA-N 2 0 327.513 3.272 20 0 EGADRP Cc1cnc(C)c(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170528096 1384335965 /nfs/dbraw/zinc/33/59/65/1384335965.db2.gz HBSLQCZAKHEKFJ-UHFFFAOYSA-N 2 0 349.482 3.003 20 0 EGADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001170679389 1384363493 /nfs/dbraw/zinc/36/34/93/1384363493.db2.gz PRNXDKGESJYVKD-YOEHRIQHSA-N 2 0 333.439 3.379 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C ZINC001170785085 1384384819 /nfs/dbraw/zinc/38/48/19/1384384819.db2.gz NSMRCFKEBAWYNN-FQEVSTJZSA-N 2 0 345.531 3.246 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170794271 1384387223 /nfs/dbraw/zinc/38/72/23/1384387223.db2.gz CGKIDBPJDVRDIG-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170817465 1384390797 /nfs/dbraw/zinc/39/07/97/1384390797.db2.gz NCJOYVUMJOURJK-FXAWDEMLSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170817749 1384390814 /nfs/dbraw/zinc/39/08/14/1384390814.db2.gz OCEDVNYTYDHUTJ-FXAWDEMLSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170818482 1384391327 /nfs/dbraw/zinc/39/13/27/1384391327.db2.gz SIIBSCUSRAFTFI-XLIONFOSSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)CCC[N@H+](C)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170869141 1384402118 /nfs/dbraw/zinc/40/21/18/1384402118.db2.gz OKUVJCMHYLNUBF-MRXNPFEDSA-N 2 0 325.294 3.190 20 0 EGADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc4c(c3)COC43C[NH2+]C3)c2c1 ZINC001171168320 1384459168 /nfs/dbraw/zinc/45/91/68/1384459168.db2.gz RUJICEBUCSPYDR-HNNXBMFYSA-N 2 0 347.462 3.157 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235192 1384476224 /nfs/dbraw/zinc/47/62/24/1384476224.db2.gz FYIPZMTVLZRIAX-JTHGQSKGSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171248362 1384478079 /nfs/dbraw/zinc/47/80/79/1384478079.db2.gz TUXBQAWLDMEOSW-XKJZPFPASA-N 2 0 343.943 3.266 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248936 1384478716 /nfs/dbraw/zinc/47/87/16/1384478716.db2.gz ZCMIOKRAMJLPDY-FUHWJXTLSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260226 1384481120 /nfs/dbraw/zinc/48/11/20/1384481120.db2.gz FYYSIQGHQVVCJA-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001316611206 1384481878 /nfs/dbraw/zinc/48/18/78/1384481878.db2.gz OHKMZZFADSISAA-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171539142 1384556209 /nfs/dbraw/zinc/55/62/09/1384556209.db2.gz QWKBMLLKRJLXNV-IEBWSBKVSA-N 2 0 335.536 3.236 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541679 1384557274 /nfs/dbraw/zinc/55/72/74/1384557274.db2.gz KNBQFTABDPRSQJ-AWEZNQCLSA-N 2 0 326.406 3.379 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171539974 1384557386 /nfs/dbraw/zinc/55/73/86/1384557386.db2.gz WLYCWHLXVFCYHZ-LPHOPBHVSA-N 2 0 349.494 3.075 20 0 EGADRP COc1ccc(Cl)cc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171555184 1384561368 /nfs/dbraw/zinc/56/13/68/1384561368.db2.gz VPNZQHZSUYMXSJ-UHFFFAOYSA-N 2 0 331.847 3.456 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1cccc(Cl)c1 ZINC001171578977 1384570323 /nfs/dbraw/zinc/57/03/23/1384570323.db2.gz NZTKCBAAOKCPQT-OAHLLOKOSA-N 2 0 339.911 3.229 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC001171579274 1384570394 /nfs/dbraw/zinc/57/03/94/1384570394.db2.gz SJDXTKTUVDLBAU-QGZVFWFLSA-N 2 0 345.531 3.064 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001171586471 1384572354 /nfs/dbraw/zinc/57/23/54/1384572354.db2.gz OKJSFONKTJHMRV-SFHVURJKSA-N 2 0 347.547 3.490 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171619428 1384582339 /nfs/dbraw/zinc/58/23/39/1384582339.db2.gz SOFCZSFKNMVQOZ-SFHVURJKSA-N 2 0 348.535 3.219 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CCCNC(=O)OC(C)(C)C)CC1(C)C ZINC001171619532 1384582365 /nfs/dbraw/zinc/58/23/65/1384582365.db2.gz NYAPWVOJZGPZHD-UHFFFAOYSA-N 2 0 327.513 3.142 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC1(C)C ZINC001171623278 1384583178 /nfs/dbraw/zinc/58/31/78/1384583178.db2.gz RBORQZXJTVPRFL-UHFFFAOYSA-N 2 0 349.563 3.409 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC[C@H]2COc3ccccc3O2)CC1(C)C ZINC001171629697 1384585444 /nfs/dbraw/zinc/58/54/44/1384585444.db2.gz COJASLJNJMAVLW-INIZCTEOSA-N 2 0 332.488 3.458 20 0 EGADRP Cc1c(C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)ccc2c[nH+]cn21 ZINC001171629597 1384585733 /nfs/dbraw/zinc/58/57/33/1384585733.db2.gz PUBYBDHIMFIZHP-VYLZPFMQSA-N 2 0 348.878 3.273 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)CC1(C)C ZINC001171636551 1384587437 /nfs/dbraw/zinc/58/74/37/1384587437.db2.gz DKYWAGHZNJHSCP-RBUKOAKNSA-N 2 0 330.516 3.316 20 0 EGADRP C[NH+]1C(C)(C)CC([NH+]2CCC(NC(=O)C(C)(C)C)CC2)CC1(C)C ZINC001171640365 1384589469 /nfs/dbraw/zinc/58/94/69/1384589469.db2.gz FESUHXNFAZUGTM-UHFFFAOYSA-N 2 0 337.552 3.265 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646756 1384591617 /nfs/dbraw/zinc/59/16/17/1384591617.db2.gz PBTFCUMUWZUPHX-ROUUACIJSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC001171662509 1384594963 /nfs/dbraw/zinc/59/49/63/1384594963.db2.gz BSEAZUXUPDOAMQ-SJLPKXTDSA-N 2 0 349.519 3.495 20 0 EGADRP C[C@H]1C[C@@H](n2cc(CC[NH3+])c3ncccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732879 1384618467 /nfs/dbraw/zinc/61/84/67/1384618467.db2.gz MCRXPFPOFQVGRH-QFBILLFUSA-N 2 0 334.467 3.373 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC001171784848 1384635548 /nfs/dbraw/zinc/63/55/48/1384635548.db2.gz IORYBFCDCAMHKI-IBGZPJMESA-N 2 0 339.458 3.190 20 0 EGADRP CC(C)(C)[N@@H+]([C@@H]1Cc2cccc(F)c2C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001171797720 1384641217 /nfs/dbraw/zinc/64/12/17/1384641217.db2.gz BFSQUYJPVHTDHK-SJORKVTESA-N 2 0 346.490 3.305 20 0 EGADRP C[C@H](CCCC[NH2+]CCCF)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171917682 1384681669 /nfs/dbraw/zinc/68/16/69/1384681669.db2.gz CRSPBBUYXNPQQQ-QGZVFWFLSA-N 2 0 343.531 3.265 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171923213 1384683415 /nfs/dbraw/zinc/68/34/15/1384683415.db2.gz DMJXSZKMEKZVSM-LJGXYGFNSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171923460 1384683651 /nfs/dbraw/zinc/68/36/51/1384683651.db2.gz GQTFNCJJGNYRGK-QGZVFWFLSA-N 2 0 333.520 3.077 20 0 EGADRP CCOC(=O)C1(C)CCC([NH+]2CCN(c3cc[nH+]c(C)c3)CC2)CC1 ZINC001171957488 1384695667 /nfs/dbraw/zinc/69/56/67/1384695667.db2.gz QHEICPZSHXAXNH-UHFFFAOYSA-N 2 0 345.487 3.024 20 0 EGADRP CC1(C)OC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC001171981763 1384702070 /nfs/dbraw/zinc/70/20/70/1384702070.db2.gz CZSLJLOQHDNPTL-ZWKOTPCHSA-N 2 0 332.488 3.171 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCc2nncs2)CC[N@@H+]1Cc1ccccc1 ZINC001171978551 1384702502 /nfs/dbraw/zinc/70/25/02/1384702502.db2.gz HTDJWFKFHWDQIV-INIZCTEOSA-N 2 0 330.501 3.113 20 0 EGADRP CC1(C)C[C@@H](N2CC([NH+]3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171984602 1384704488 /nfs/dbraw/zinc/70/44/88/1384704488.db2.gz NQZHAKABAJPSQN-IBGZPJMESA-N 2 0 327.516 3.210 20 0 EGADRP CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171989138 1384705549 /nfs/dbraw/zinc/70/55/49/1384705549.db2.gz YOYUOZHWNSXUOH-HXUWFJFHSA-N 2 0 329.532 3.457 20 0 EGADRP O=C1C[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1C1CC1 ZINC001172006307 1384708787 /nfs/dbraw/zinc/70/87/87/1384708787.db2.gz WCPUKOLDXPBWFG-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064603 1384714528 /nfs/dbraw/zinc/71/45/28/1384714528.db2.gz DHGGJKGUVXHFBN-USYVTKNRSA-N 2 0 328.500 3.321 20 0 EGADRP O[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172064524 1384714571 /nfs/dbraw/zinc/71/45/71/1384714571.db2.gz GSFJRJIDWAGHSP-YXOJAJARSA-N 2 0 328.500 3.465 20 0 EGADRP O[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC001172063743 1384714836 /nfs/dbraw/zinc/71/48/36/1384714836.db2.gz CDYRTHSMQPLVIH-IYWMVGAKSA-N 2 0 340.467 3.488 20 0 EGADRP CN1CC2(C1)CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001172084119 1384722397 /nfs/dbraw/zinc/72/23/97/1384722397.db2.gz USGKNAPDJQGCKW-AERCQKQUSA-N 2 0 339.527 3.210 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001172110979 1384730300 /nfs/dbraw/zinc/73/03/00/1384730300.db2.gz NERSSGKDOOZXTR-PMOLBWCYSA-N 2 0 327.516 3.038 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001172116019 1384730670 /nfs/dbraw/zinc/73/06/70/1384730670.db2.gz CUDYMZUHIVJSKW-DQCOHUIHSA-N 3 0 345.556 3.127 20 0 EGADRP O=C1CC[C@H]2C[C@@H]([NH2+]CC3CC[NH+](CC4CCCCC4)CC3)CCN12 ZINC001172163774 1384740684 /nfs/dbraw/zinc/74/06/84/1384740684.db2.gz XDGHAJREXIHCOI-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1)C1CCC1 ZINC001316982976 1384740893 /nfs/dbraw/zinc/74/08/93/1384740893.db2.gz MKXPMECCNYLKJE-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)CS2 ZINC001172196083 1384745293 /nfs/dbraw/zinc/74/52/93/1384745293.db2.gz DGHLKYLIFBIMRT-IBGZPJMESA-N 2 0 346.540 3.184 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001316994494 1384750469 /nfs/dbraw/zinc/75/04/69/1384750469.db2.gz JGONYQJIDANXJF-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CC2(CC3CCC3)CCOCC2)CC1 ZINC001172249114 1384756196 /nfs/dbraw/zinc/75/61/96/1384756196.db2.gz WRTQADOFJZAVFQ-UHFFFAOYSA-N 2 0 338.536 3.064 20 0 EGADRP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001172319880 1384768639 /nfs/dbraw/zinc/76/86/39/1384768639.db2.gz UKCLEJXIGFGXDY-ZWKOTPCHSA-N 2 0 333.520 3.122 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001317008174 1384771881 /nfs/dbraw/zinc/77/18/81/1384771881.db2.gz UWDURGVMBKWLCA-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172339583 1384774181 /nfs/dbraw/zinc/77/41/81/1384774181.db2.gz PBIAIRNQTVTFSK-RTBURBONSA-N 2 0 340.552 3.405 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)C1 ZINC001172381781 1384781970 /nfs/dbraw/zinc/78/19/70/1384781970.db2.gz ICCAKCBXLHFXOB-IMBTUZDBSA-N 2 0 336.520 3.161 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172542547 1384810106 /nfs/dbraw/zinc/81/01/06/1384810106.db2.gz GYFMTDIOZFSAAA-IFMALSPDSA-N 2 0 341.543 3.425 20 0 EGADRP C[NH+](C)CCCN1CC[NH+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172554331 1384811406 /nfs/dbraw/zinc/81/14/06/1384811406.db2.gz XZQZIQIEFZACTI-NHCUHLMSSA-N 2 0 329.532 3.282 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172626340 1384822437 /nfs/dbraw/zinc/82/24/37/1384822437.db2.gz DLTPZAVORCWREJ-XUVXKRRUSA-N 2 0 344.499 3.172 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001172771438 1384848208 /nfs/dbraw/zinc/84/82/08/1384848208.db2.gz VDCMZJXTBBZDGI-WOJBJXKFSA-N 2 0 344.499 3.494 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001172804013 1384855779 /nfs/dbraw/zinc/85/57/79/1384855779.db2.gz RRXBPUUJUUUWSU-SJLPKXTDSA-N 2 0 336.520 3.447 20 0 EGADRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)Cc1c(F)cccc1Cl ZINC001172842453 1384863591 /nfs/dbraw/zinc/86/35/91/1384863591.db2.gz QJXAZSGVHZXIFV-CQSZACIVSA-N 2 0 329.891 3.013 20 0 EGADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172883830 1384872650 /nfs/dbraw/zinc/87/26/50/1384872650.db2.gz UVMDNRVTETZTIR-AWEZNQCLSA-N 2 0 342.936 3.115 20 0 EGADRP Cc1cc(N2CC[NH+](C3CCC4(CCOCC4)CC3)CC2)cc[nH+]1 ZINC001173049423 1384900849 /nfs/dbraw/zinc/90/08/49/1384900849.db2.gz QNJXJWCLKZGYOA-UHFFFAOYSA-N 2 0 329.488 3.251 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccnc2N2CCCC2)CC1 ZINC001173104461 1384915674 /nfs/dbraw/zinc/91/56/74/1384915674.db2.gz PWTQJHCZBWNYKJ-UHFFFAOYSA-N 2 0 330.520 3.424 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC001173107629 1384916183 /nfs/dbraw/zinc/91/61/83/1384916183.db2.gz ZVGZHNCEAJMPSX-GPJFCIFZSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001173106974 1384916538 /nfs/dbraw/zinc/91/65/38/1384916538.db2.gz TULKPZWQUQMJQI-UHFFFAOYSA-N 3 0 344.547 3.070 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+](CC(=O)OC)Cc2ccccc2)CC1 ZINC001173113680 1384917494 /nfs/dbraw/zinc/91/74/94/1384917494.db2.gz BPWYEFQDSSOWHZ-UHFFFAOYSA-N 2 0 332.488 3.315 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(Oc3nccc(C)n3)CC2)CC1 ZINC001173114028 1384917832 /nfs/dbraw/zinc/91/78/32/1384917832.db2.gz SROFFRQXEACEKF-UHFFFAOYSA-N 2 0 346.519 3.281 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC1 ZINC001173113925 1384917965 /nfs/dbraw/zinc/91/79/65/1384917965.db2.gz PDXASEOLPHPVCP-ACBHZAAOSA-N 2 0 331.504 3.496 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173131669 1384920525 /nfs/dbraw/zinc/92/05/25/1384920525.db2.gz LQWOQLPBTODMHL-XIRDDKMYSA-N 2 0 342.512 3.168 20 0 EGADRP COc1cccc2c1C[C@H]([N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)CO2 ZINC001173163380 1384928737 /nfs/dbraw/zinc/92/87/37/1384928737.db2.gz DHTLMGQLINWHCB-BZSNNMDCSA-N 2 0 344.499 3.338 20 0 EGADRP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001173250287 1384945135 /nfs/dbraw/zinc/94/51/35/1384945135.db2.gz RKUQPCAVFPARCG-DUXKGJEZSA-N 2 0 330.516 3.413 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC001173435059 1384970168 /nfs/dbraw/zinc/97/01/68/1384970168.db2.gz JPEKBTSSKQHUDS-QGZVFWFLSA-N 2 0 332.488 3.363 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173476585 1384977304 /nfs/dbraw/zinc/97/73/04/1384977304.db2.gz PRAYQDZRYPQHTI-UHFFFAOYSA-N 2 0 346.421 3.162 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC(n1cc(CC[NH3+])c3c[nH+]ccc31)CC2 ZINC001173605922 1384987467 /nfs/dbraw/zinc/98/74/67/1384987467.db2.gz NASDCCSTLSGKKU-CMVHYPBASA-N 2 0 341.455 3.222 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001173613204 1384988032 /nfs/dbraw/zinc/98/80/32/1384988032.db2.gz ZZVDGYSLKFTXEC-QPIRBTGLSA-N 2 0 336.520 3.354 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C)CC2 ZINC001173614321 1384988521 /nfs/dbraw/zinc/98/85/21/1384988521.db2.gz SUGIQIQWKKLVDT-VJULDXEBSA-N 2 0 336.520 3.207 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001173630640 1384992371 /nfs/dbraw/zinc/99/23/71/1384992371.db2.gz AKNOTHNPHDFNLF-MOPGFXCFSA-N 2 0 344.499 3.144 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC001173716442 1385007409 /nfs/dbraw/zinc/00/74/09/1385007409.db2.gz YJOVEFCXVPYWEH-INIZCTEOSA-N 2 0 340.467 3.256 20 0 EGADRP C[N@@H+]1CCc2ncc(NC3=CCC[NH+](Cc4ccccc4)C3)cc2C1 ZINC001174393082 1385104817 /nfs/dbraw/zinc/10/48/17/1385104817.db2.gz QNVNHKUSWUJQEI-UHFFFAOYSA-N 2 0 334.467 3.271 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](C)[C@@H](CC)c1ccc(Cl)cc1)[NH+](C)C ZINC001317449410 1385149531 /nfs/dbraw/zinc/14/95/31/1385149531.db2.gz PZIJFIPCEMLDDK-DLBZAZTESA-N 2 0 339.911 3.179 20 0 EGADRP C[NH+](C)CCc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001174814222 1385153284 /nfs/dbraw/zinc/15/32/84/1385153284.db2.gz QCVSKXAUVNFWMS-UHFFFAOYSA-N 2 0 338.499 3.286 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)CC2CCCCCC2)CC1 ZINC001317467984 1385161593 /nfs/dbraw/zinc/16/15/93/1385161593.db2.gz NNMKCFOKZIRSIL-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001174929648 1385171285 /nfs/dbraw/zinc/17/12/85/1385171285.db2.gz RVWIOFRKOKYZLT-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1occc1C[NH+](C)C ZINC001174930320 1385171354 /nfs/dbraw/zinc/17/13/54/1385171354.db2.gz WQSBJFNENFFIOU-CGZBRXJRSA-N 2 0 349.519 3.266 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949794 1385173593 /nfs/dbraw/zinc/17/35/93/1385173593.db2.gz SXHCAVNIZXPFHR-JTHGQSKGSA-N 2 0 337.552 3.339 20 0 EGADRP C[C@@H](CCCC[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CC[NH+](C)C ZINC001175048829 1385186148 /nfs/dbraw/zinc/18/61/48/1385186148.db2.gz LABWVIQBCHMONJ-HOTGVXAUSA-N 2 0 347.494 3.028 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175049757 1385186479 /nfs/dbraw/zinc/18/64/79/1385186479.db2.gz XVRWBNZSJKTCPM-MSOLQXFVSA-N 2 0 333.520 3.272 20 0 EGADRP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001175056908 1385187630 /nfs/dbraw/zinc/18/76/30/1385187630.db2.gz QPTPYDIWQVODPO-MSOLQXFVSA-N 2 0 345.531 3.354 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175108889 1385196324 /nfs/dbraw/zinc/19/63/24/1385196324.db2.gz WMFAQSZYAXKMPA-QZTJIDSGSA-N 2 0 327.557 3.418 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001317500865 1385202803 /nfs/dbraw/zinc/20/28/03/1385202803.db2.gz CPUILGDWMBPUJB-YLJYHZDGSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001317500864 1385202966 /nfs/dbraw/zinc/20/29/66/1385202966.db2.gz CPUILGDWMBPUJB-XLIONFOSSA-N 2 0 343.515 3.121 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262706 1385233305 /nfs/dbraw/zinc/23/33/05/1385233305.db2.gz KDZHSRKYYRBXDF-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264763 1385234785 /nfs/dbraw/zinc/23/47/85/1385234785.db2.gz VVZIACXBVXMYFY-IEBWSBKVSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295095 1385241772 /nfs/dbraw/zinc/24/17/72/1385241772.db2.gz AGRHUSGCLUNZPU-KRWDZBQOSA-N 2 0 345.547 3.369 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295553 1385242136 /nfs/dbraw/zinc/24/21/36/1385242136.db2.gz GUGFBFIPGDFUBB-SFHVURJKSA-N 2 0 347.547 3.429 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001175317594 1385250637 /nfs/dbraw/zinc/25/06/37/1385250637.db2.gz QGJQORKTTODPTJ-QUCCMNQESA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)[C@H](C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001317558225 1385331859 /nfs/dbraw/zinc/33/18/59/1385331859.db2.gz DWBWLDSFGDUISN-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001317636397 1385368019 /nfs/dbraw/zinc/36/80/19/1385368019.db2.gz NQXZGCZJHALAJC-APWZRJJASA-N 2 0 349.494 3.198 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175711307 1385381545 /nfs/dbraw/zinc/38/15/45/1385381545.db2.gz SDSYRDBPSAMHBF-MRXNPFEDSA-N 2 0 331.504 3.036 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001175786314 1385405632 /nfs/dbraw/zinc/40/56/32/1385405632.db2.gz ITNDEQKFXKWTSF-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873012 1385426860 /nfs/dbraw/zinc/42/68/60/1385426860.db2.gz JFBXQVWSXAICBM-FUHWJXTLSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)CC1 ZINC001175967521 1385447507 /nfs/dbraw/zinc/44/75/07/1385447507.db2.gz KGIAPBDFOLAQTQ-VGZDNEPHSA-N 2 0 343.943 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176022581 1385463706 /nfs/dbraw/zinc/46/37/06/1385463706.db2.gz BWGUSQHJMSHATJ-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC ZINC001176112650 1385487619 /nfs/dbraw/zinc/48/76/19/1385487619.db2.gz XPZOZEKVNPVCHQ-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176112633 1385487668 /nfs/dbraw/zinc/48/76/68/1385487668.db2.gz XCZGGUQYLASMRV-YLJYHZDGSA-N 2 0 333.520 3.138 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C(C)C)c1ccccc1 ZINC001176120244 1385489343 /nfs/dbraw/zinc/48/93/43/1385489343.db2.gz LTTHSPWSZGCEQR-IEBWSBKVSA-N 2 0 333.520 3.352 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001317809585 1385506360 /nfs/dbraw/zinc/50/63/60/1385506360.db2.gz QBWQFHPNGZTPHK-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001317875056 1385553899 /nfs/dbraw/zinc/55/38/99/1385553899.db2.gz BIMAEGVBBFCVFU-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001317944575 1385579599 /nfs/dbraw/zinc/57/95/99/1385579599.db2.gz MKZHLWBHLDJRTE-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001317949319 1385581956 /nfs/dbraw/zinc/58/19/56/1385581956.db2.gz FUGUGAGNBJWDBI-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001176564844 1385626478 /nfs/dbraw/zinc/62/64/78/1385626478.db2.gz RXVPNTYBYPXQDK-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564029 1385626744 /nfs/dbraw/zinc/62/67/44/1385626744.db2.gz KDRUVLFDERBRPT-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C[NH2+]C(C)(C)C)C1CCCCC1 ZINC001318211504 1385629235 /nfs/dbraw/zinc/62/92/35/1385629235.db2.gz NPSBNTRSTYXNTB-UHFFFAOYSA-N 2 0 345.531 3.455 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1)c1ccccc1F ZINC001176591619 1385635133 /nfs/dbraw/zinc/63/51/33/1385635133.db2.gz NBGPGYUVHPQEAX-DLBZAZTESA-N 2 0 349.494 3.247 20 0 EGADRP CC[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001176591121 1385635178 /nfs/dbraw/zinc/63/51/78/1385635178.db2.gz HSGIWSGIASALBS-AZUAARDMSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176760233 1385687211 /nfs/dbraw/zinc/68/72/11/1385687211.db2.gz RSVHRUZFPFWMOU-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001176986839 1385764289 /nfs/dbraw/zinc/76/42/89/1385764289.db2.gz WYXLYBJRBFXKCA-IEBWSBKVSA-N 2 0 331.504 3.026 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001176999273 1385768971 /nfs/dbraw/zinc/76/89/71/1385768971.db2.gz SKYJXIUUFXIKHB-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](CNC(=O)Cc1[nH]cnc1C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001318592592 1385776784 /nfs/dbraw/zinc/77/67/84/1385776784.db2.gz HLXZVGXSUZBGLP-LRDDRELGSA-N 2 0 348.878 3.160 20 0 EGADRP CC1CC(C[NH2+]CCCN(CC2CCCC2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001177267808 1385890394 /nfs/dbraw/zinc/89/03/94/1385890394.db2.gz YTLLAJFTSPTKHF-LYBXBRPPSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)CC1)[NH+](C)C ZINC001318958702 1385897006 /nfs/dbraw/zinc/89/70/06/1385897006.db2.gz HAXQFUPCDBIVHH-VAMGGRTRSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]CC[C@@H](C)F)CC1CCCC1)[NH+](C)C ZINC001177348636 1385924301 /nfs/dbraw/zinc/92/43/01/1385924301.db2.gz LOQDAONIDPYOPQ-SJLPKXTDSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)c1occc1C[NH+](C)C ZINC001177397510 1385942721 /nfs/dbraw/zinc/94/27/21/1385942721.db2.gz ANVXHFZDMFBYRB-UHFFFAOYSA-N 2 0 349.519 3.363 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177415614 1385948448 /nfs/dbraw/zinc/94/84/48/1385948448.db2.gz FXUSQRHQGTZFGB-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CCC[NH2+]CC[C@@H](C)F)CC1CCCC1 ZINC001177456010 1385962713 /nfs/dbraw/zinc/96/27/13/1385962713.db2.gz LZRPDWMLDBPKIW-QGZVFWFLSA-N 2 0 343.531 3.075 20 0 EGADRP CC[N@H+](C)CCC(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177456381 1385963318 /nfs/dbraw/zinc/96/33/18/1385963318.db2.gz STEFFQDAYSLVAT-WDZFZDKYSA-N 2 0 343.943 3.079 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)C1 ZINC001177467237 1385967405 /nfs/dbraw/zinc/96/74/05/1385967405.db2.gz XOPODZOTVPRBIS-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[C@@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001177790315 1386046052 /nfs/dbraw/zinc/04/60/52/1386046052.db2.gz BIKTWZYALBYQAC-PMACEKPBSA-N 2 0 329.532 3.328 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045390 1386114819 /nfs/dbraw/zinc/11/48/19/1386114819.db2.gz KEGLNLMBIPFWAL-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP CCc1ccccc1C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045393 1386114979 /nfs/dbraw/zinc/11/49/79/1386114979.db2.gz KEJDVKMVNAIPSD-HXUWFJFHSA-N 2 0 345.531 3.109 20 0 EGADRP CC[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001178045638 1386115992 /nfs/dbraw/zinc/11/59/92/1386115992.db2.gz QLSYBJSEIGQTDA-WOJBJXKFSA-N 2 0 345.531 3.498 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001319588904 1386192235 /nfs/dbraw/zinc/19/22/35/1386192235.db2.gz GDKWDBAJQBGJLB-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001319590145 1386192987 /nfs/dbraw/zinc/19/29/87/1386192987.db2.gz PHGUVIBGDKPESM-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001178518694 1386240531 /nfs/dbraw/zinc/24/05/31/1386240531.db2.gz WJUUJPLCNOOEIS-UYAOXDASSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001178522641 1386241210 /nfs/dbraw/zinc/24/12/10/1386241210.db2.gz NLUSWNKLWQXPBQ-IEBWSBKVSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178617696 1386263450 /nfs/dbraw/zinc/26/34/50/1386263450.db2.gz LTRHYNBXYBYTPJ-UHFFFAOYSA-N 2 0 337.533 3.100 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693621 1386280666 /nfs/dbraw/zinc/28/06/66/1386280666.db2.gz XYODAZMDIILKPB-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698767 1386282483 /nfs/dbraw/zinc/28/24/83/1386282483.db2.gz UAWFGJAASLTKNL-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001178698789 1386282495 /nfs/dbraw/zinc/28/24/95/1386282495.db2.gz UUUSSARFKMWNBB-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319763226 1386284646 /nfs/dbraw/zinc/28/46/46/1386284646.db2.gz MMSJEBRYFFHGBD-VGOFRKELSA-N 2 0 335.495 3.462 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC001319762936 1386284688 /nfs/dbraw/zinc/28/46/88/1386284688.db2.gz KJJSTAMNKJOQQO-QUCCMNQESA-N 2 0 327.516 3.497 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178728723 1386290977 /nfs/dbraw/zinc/29/09/77/1386290977.db2.gz CBLXKNDPZKYTAO-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178733300 1386292346 /nfs/dbraw/zinc/29/23/46/1386292346.db2.gz LZYGIYCVZPIXSX-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001178759253 1386296116 /nfs/dbraw/zinc/29/61/16/1386296116.db2.gz BIHDYKVCTYRSDD-IBGZPJMESA-N 2 0 333.520 3.039 20 0 EGADRP CC1(C)CCC[C@@H](C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC001178778203 1386301451 /nfs/dbraw/zinc/30/14/51/1386301451.db2.gz JHIJUPQOKMSIRG-YLJYHZDGSA-N 2 0 330.516 3.212 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178815710 1386316134 /nfs/dbraw/zinc/31/61/34/1386316134.db2.gz KREWGLILCACPBM-CNZFZVQHSA-N 2 0 325.541 3.339 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178833265 1386322211 /nfs/dbraw/zinc/32/22/11/1386322211.db2.gz RLBDIFJKBONTIG-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001178853649 1386329769 /nfs/dbraw/zinc/32/97/69/1386329769.db2.gz MNFJUWKJWCOQHY-UHFFFAOYSA-N 2 0 327.557 3.419 20 0 EGADRP O=C(NCCCCCC[NH2+]CCCCCF)C12CCC[NH+]1CCC2 ZINC001178938743 1386355095 /nfs/dbraw/zinc/35/50/95/1386355095.db2.gz LQAJUNMKEKSKBO-UHFFFAOYSA-N 2 0 341.515 3.021 20 0 EGADRP CCCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001179234779 1386428258 /nfs/dbraw/zinc/42/82/58/1386428258.db2.gz ZMLZETHZCNXCAV-HKUYNNGSSA-N 2 0 337.552 3.410 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179361520 1386463289 /nfs/dbraw/zinc/46/32/89/1386463289.db2.gz ILBHTTYXGYHWNL-LJQANCHMSA-N 2 0 337.552 3.460 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179409610 1386478737 /nfs/dbraw/zinc/47/87/37/1386478737.db2.gz OYMCOWDEJYFUEX-ZULIPRJHSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCC(C)(C)C)C2)CCC1 ZINC001320103433 1386514965 /nfs/dbraw/zinc/51/49/65/1386514965.db2.gz KMVURBYXAJEFBR-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CCC1CC1)[NH+](CC)CC ZINC001179565923 1386516856 /nfs/dbraw/zinc/51/68/56/1386516856.db2.gz ZAIQZJFYXGBZPM-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580829 1386522282 /nfs/dbraw/zinc/52/22/82/1386522282.db2.gz RRRYDXOQYRQHMC-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001179585298 1386523519 /nfs/dbraw/zinc/52/35/19/1386523519.db2.gz GTSTUOCNVNDHMW-KRWDZBQOSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592547 1386526395 /nfs/dbraw/zinc/52/63/95/1386526395.db2.gz GWTLHOLITVUXHW-UHFFFAOYSA-N 2 0 327.557 3.277 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CCCc1ccccc1)[NH+](C)C ZINC001179612505 1386532028 /nfs/dbraw/zinc/53/20/28/1386532028.db2.gz JZOQBDQLGRGFIK-FQEVSTJZSA-N 2 0 347.547 3.226 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C1(C)C ZINC001320258045 1386564132 /nfs/dbraw/zinc/56/41/32/1386564132.db2.gz FFFHOBOJYJLTNR-WOJBJXKFSA-N 2 0 345.531 3.120 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001179746267 1386570429 /nfs/dbraw/zinc/57/04/29/1386570429.db2.gz SJWZLBRIUOQFPG-KAMXEHQASA-N 2 0 343.943 3.268 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788044 1386585969 /nfs/dbraw/zinc/58/59/69/1386585969.db2.gz KQKATWXMUAPMMS-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001179857102 1386609475 /nfs/dbraw/zinc/60/94/75/1386609475.db2.gz RXKIKJWUNAGISN-ICSRJNTNSA-N 2 0 345.531 3.033 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2)[C@@H]1C ZINC001179976470 1386655067 /nfs/dbraw/zinc/65/50/67/1386655067.db2.gz OXEXGNWFFOYNII-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)CC2)[C@@H]1C ZINC001179978465 1386656564 /nfs/dbraw/zinc/65/65/64/1386656564.db2.gz BIAVQCQNTACIDC-JEVOJNTISA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)[C@@H]1C ZINC001179983056 1386658519 /nfs/dbraw/zinc/65/85/19/1386658519.db2.gz KAAHJLRQRKMZCI-IPELMVKDSA-N 2 0 349.494 3.198 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001180035700 1386676219 /nfs/dbraw/zinc/67/62/19/1386676219.db2.gz OVFNMQDZZSWYNC-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001180060864 1386684077 /nfs/dbraw/zinc/68/40/77/1386684077.db2.gz RWMURFISFSZSOV-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP Cn1cncc1CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001180064979 1386685424 /nfs/dbraw/zinc/68/54/24/1386685424.db2.gz CGRHQKWFIBAPIJ-UHFFFAOYSA-N 2 0 336.524 3.055 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180211320 1386733958 /nfs/dbraw/zinc/73/39/58/1386733958.db2.gz CZTZEJCDNIVTFU-WLMAVBAVSA-N 2 0 335.536 3.188 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)c1 ZINC001180270271 1386751223 /nfs/dbraw/zinc/75/12/23/1386751223.db2.gz NEXDVWZXQZBDTI-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001180357168 1386772782 /nfs/dbraw/zinc/77/27/82/1386772782.db2.gz NSPPUKAAKVUHAK-UHFFFAOYSA-N 2 0 333.520 3.428 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC001180369664 1386776502 /nfs/dbraw/zinc/77/65/02/1386776502.db2.gz RIEFHRWGWNKIOQ-SFHVURJKSA-N 2 0 333.520 3.354 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369761 1386776976 /nfs/dbraw/zinc/77/69/76/1386776976.db2.gz WDDGPVRWGPHDKE-UHFFFAOYSA-N 2 0 333.520 3.101 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CCCc1ccccc1 ZINC001180369785 1386777013 /nfs/dbraw/zinc/77/70/13/1386777013.db2.gz XLYSWQUJONSVJU-UHFFFAOYSA-N 2 0 347.547 3.226 20 0 EGADRP Cc1ccc(CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001180369691 1386777184 /nfs/dbraw/zinc/77/71/84/1386777184.db2.gz SFYSDLQXKWIIOE-UHFFFAOYSA-N 2 0 347.547 3.144 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c(C)o1 ZINC001321282512 1386865575 /nfs/dbraw/zinc/86/55/75/1386865575.db2.gz JXVKNLUFCLICSH-QGZVFWFLSA-N 2 0 341.499 3.495 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc2ccccc2c1)[NH+](C)C ZINC001321550856 1386928677 /nfs/dbraw/zinc/92/86/77/1386928677.db2.gz PKFMZZRTLVKICH-UZLBHIALSA-N 2 0 341.499 3.020 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)Nc1cccnc1C[NH3+])c1ccccc1 ZINC001182235743 1387129172 /nfs/dbraw/zinc/12/91/72/1387129172.db2.gz JIBITLDDKMRRML-LJQANCHMSA-N 2 0 340.471 3.342 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182589544 1387192468 /nfs/dbraw/zinc/19/24/68/1387192468.db2.gz HUMVOOVPUSDNRM-IPLHWJFFSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182591583 1387193076 /nfs/dbraw/zinc/19/30/76/1387193076.db2.gz XVXKDKCOUCGYDH-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001182614769 1387197047 /nfs/dbraw/zinc/19/70/47/1387197047.db2.gz QHYFUTGLFSFZSV-LVCYWYKZSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1cc2ncn(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c2cc1C ZINC001336078845 1389008445 /nfs/dbraw/zinc/00/84/45/1389008445.db2.gz PLEVCWIOGLHJLZ-RCCFBDPRSA-N 2 0 326.488 3.273 20 0 EGADRP Cc1cccc(C[N@H+]2CCCCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001329939419 1389267874 /nfs/dbraw/zinc/26/78/74/1389267874.db2.gz UDXFTYZMIWRLCG-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC001338004585 1389513436 /nfs/dbraw/zinc/51/34/36/1389513436.db2.gz TUPCZTYDQZYKPV-FQEVSTJZSA-N 2 0 345.531 3.409 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001338517846 1389698768 /nfs/dbraw/zinc/69/87/68/1389698768.db2.gz GMAIZFJHSTURQV-GHTZIAJQSA-N 2 0 326.484 3.065 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C)[C@@H]1C ZINC001332220465 1390052567 /nfs/dbraw/zinc/05/25/67/1390052567.db2.gz UDEKPFDDGPUVJD-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001332299302 1390079411 /nfs/dbraw/zinc/07/94/11/1390079411.db2.gz KEXKCNFSLVNFAE-QZTJIDSGSA-N 2 0 333.545 3.202 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC001340032216 1390211476 /nfs/dbraw/zinc/21/14/76/1390211476.db2.gz BZGGJRBUNWLRQW-QKLQHJQFSA-N 2 0 343.515 3.195 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001340105963 1390227392 /nfs/dbraw/zinc/22/73/92/1390227392.db2.gz PZIMCJWHKNVGNL-RLFYNMQTSA-N 2 0 337.533 3.011 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCSCCC[NH3+])cc1 ZINC001340153497 1390238179 /nfs/dbraw/zinc/23/81/79/1390238179.db2.gz BWNZQZXHJBFXIX-INIZCTEOSA-N 2 0 349.544 3.472 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC001333841087 1390420107 /nfs/dbraw/zinc/42/01/07/1390420107.db2.gz KGFFVTWZNKHWBO-WERVVEIQSA-N 2 0 327.516 3.175 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C[C@H]2C1 ZINC001333891395 1390431575 /nfs/dbraw/zinc/43/15/75/1390431575.db2.gz LRVURQFIGSUEFY-XCJLJZCSSA-N 2 0 344.499 3.016 20 0 EGADRP CC(=O)OC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001335071953 1390638587 /nfs/dbraw/zinc/63/85/87/1390638587.db2.gz IZZDQIWLJYAQMZ-MIJOPJBOSA-N 2 0 330.472 3.113 20 0 EGADRP C[C@@H]1C[C@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC001343371312 1390709758 /nfs/dbraw/zinc/70/97/58/1390709758.db2.gz HYRGAEYSTOSDFR-SOLBZPMBSA-N 2 0 329.488 3.388 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@H]2C1 ZINC001345159525 1390842148 /nfs/dbraw/zinc/84/21/48/1390842148.db2.gz JTBIXXGENBUTJV-IIDMSEBBSA-N 2 0 344.503 3.074 20 0 EGADRP C[NH+]1CCC(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001351976099 1391734041 /nfs/dbraw/zinc/73/40/41/1391734041.db2.gz ZWQUHTTZJXNDGM-UHFFFAOYSA-N 2 0 336.907 3.320 20 0 EGADRP CC(C)CC[C@@H](O)C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC001353275306 1391981503 /nfs/dbraw/zinc/98/15/03/1391981503.db2.gz YDOJYAVUQDQTFT-MJGOQNOKSA-N 2 0 346.515 3.361 20 0 EGADRP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[NH+]1CCCCC1 ZINC001353556315 1392038847 /nfs/dbraw/zinc/03/88/47/1392038847.db2.gz RURHMCVBAGBJMZ-PXNSSMCTSA-N 2 0 343.515 3.100 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001479831143 1392417375 /nfs/dbraw/zinc/41/73/75/1392417375.db2.gz DDNICDQNIPRRGS-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001480265961 1392650053 /nfs/dbraw/zinc/65/00/53/1392650053.db2.gz TUTBQUNNFBGRCR-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)Cc1ccc(C)cc1 ZINC001480985449 1393068780 /nfs/dbraw/zinc/06/87/80/1393068780.db2.gz MVUVVJCIZKHZOL-HXUWFJFHSA-N 2 0 345.531 3.054 20 0 EGADRP C[NH+]1CCC(C(=O)NCC[N@H+](CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001481182380 1393143940 /nfs/dbraw/zinc/14/39/40/1393143940.db2.gz CAECDYPHHPCMGE-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001481287824 1393158817 /nfs/dbraw/zinc/15/88/17/1393158817.db2.gz ORKVBVRYOZGMMM-APWZRJJASA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001698890544 1406622776 /nfs/dbraw/zinc/62/27/76/1406622776.db2.gz JWQHQYJXHBZCSC-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001490611657 1394281743 /nfs/dbraw/zinc/28/17/43/1394281743.db2.gz YOXVIHMVXJNSDX-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+](CC)CC ZINC001490925688 1394376025 /nfs/dbraw/zinc/37/60/25/1394376025.db2.gz GDSWWXFSFWRIKX-FHWLQOOXSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481539370 1394401155 /nfs/dbraw/zinc/40/11/55/1394401155.db2.gz FDLZEEFXYHNBOR-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491110061 1394431013 /nfs/dbraw/zinc/43/10/13/1394431013.db2.gz CQDMLNPQNGMVBA-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491167983 1394456031 /nfs/dbraw/zinc/45/60/31/1394456031.db2.gz CETZJWHHPODKNM-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001481778723 1394523581 /nfs/dbraw/zinc/52/35/81/1394523581.db2.gz NQQYTDJOUISNMS-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[NH+](CC)CC ZINC001482020476 1394677278 /nfs/dbraw/zinc/67/72/78/1394677278.db2.gz ICEOOWKZMCLUHL-FHWLQOOXSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001482226940 1394820745 /nfs/dbraw/zinc/82/07/45/1394820745.db2.gz BBDVKLRDNGZYNY-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2C)CCCC1)[NH+](C)C ZINC001482235963 1394831680 /nfs/dbraw/zinc/83/16/80/1394831680.db2.gz ZBOKOCVFNAPZSL-HKUYNNGSSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001483970703 1395169258 /nfs/dbraw/zinc/16/92/58/1395169258.db2.gz IQTZTWRRSMMCKR-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001484049046 1395212994 /nfs/dbraw/zinc/21/29/94/1395212994.db2.gz YSKTWHUCXJMSGO-HXUWFJFHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001484138313 1395274662 /nfs/dbraw/zinc/27/46/62/1395274662.db2.gz XKTVYVJBIBBMAL-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)C2 ZINC001484391545 1395361518 /nfs/dbraw/zinc/36/15/18/1395361518.db2.gz PEVIQWDUSUJRLA-REPLKXPHSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1ccccc1C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001484981452 1395621165 /nfs/dbraw/zinc/62/11/65/1395621165.db2.gz OBFACZAWNHSYIX-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001485264273 1395749114 /nfs/dbraw/zinc/74/91/14/1395749114.db2.gz UTNMFYUEWWUVRM-PKOBYXMFSA-N 2 0 347.547 3.470 20 0 EGADRP Cc1c(C(=O)N(C)CC[N@H+](C)CCCC2CCC2)ccc2c[nH+]cn21 ZINC001698991748 1406782903 /nfs/dbraw/zinc/78/29/03/1406782903.db2.gz ZYHMERVBYLWZCZ-UHFFFAOYSA-N 2 0 342.487 3.227 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001485509041 1395988459 /nfs/dbraw/zinc/98/84/59/1395988459.db2.gz KWDHTFIZLVMJPI-OXJNMPFZSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001485527156 1395997482 /nfs/dbraw/zinc/99/74/82/1395997482.db2.gz QHSGKZFRYICEJI-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001485763939 1396139662 /nfs/dbraw/zinc/13/96/62/1396139662.db2.gz XXTXSVXURULCLA-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001485960453 1396174137 /nfs/dbraw/zinc/17/41/37/1396174137.db2.gz GWLPFGDHQCBHED-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001486082791 1396175784 /nfs/dbraw/zinc/17/57/84/1396175784.db2.gz HCBKJYGYEKNYEP-DNVCBOLYSA-N 2 0 342.487 3.272 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)CCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001503645588 1396261041 /nfs/dbraw/zinc/26/10/41/1396261041.db2.gz HXKJAMOPFCIATQ-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001505410700 1396294638 /nfs/dbraw/zinc/29/46/38/1396294638.db2.gz QEZWOIONTBOIRU-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001496145454 1396611075 /nfs/dbraw/zinc/61/10/75/1396611075.db2.gz PVKBPCBHBQDJTN-CRAIPNDOSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001699033464 1406872325 /nfs/dbraw/zinc/87/23/25/1406872325.db2.gz AOBMMNADQXCCPE-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001690176675 1404375134 /nfs/dbraw/zinc/37/51/34/1404375134.db2.gz XDJXAQZEYFBMQH-MOPGFXCFSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690505125 1404617534 /nfs/dbraw/zinc/61/75/34/1404617534.db2.gz OCOYMJMTMMJLNI-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001690606394 1404649412 /nfs/dbraw/zinc/64/94/12/1404649412.db2.gz MEKORFVQUDNLPC-MSOLQXFVSA-N 2 0 345.531 3.497 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001690635520 1404667558 /nfs/dbraw/zinc/66/75/58/1404667558.db2.gz PLUWOSXNAUPWED-ROUUACIJSA-N 2 0 345.531 3.271 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001690752159 1404709244 /nfs/dbraw/zinc/70/92/44/1404709244.db2.gz ZNIOQCCLHCIMIA-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001725174253 1425687810 /nfs/dbraw/zinc/68/78/10/1425687810.db2.gz SQIIEERBDMJGTI-PXNSSMCTSA-N 2 0 347.547 3.333 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/Cl)C1)[NH+]1CCCCC1 ZINC001690772525 1404721485 /nfs/dbraw/zinc/72/14/85/1404721485.db2.gz UDTQEZMTDCDYCU-XKQHDHNFSA-N 2 0 341.927 3.020 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001691102857 1405042807 /nfs/dbraw/zinc/04/28/07/1405042807.db2.gz QJKANIHWKYGWPV-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001691215176 1405155196 /nfs/dbraw/zinc/15/51/96/1405155196.db2.gz IFLRJBFKAYQCBN-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC001691773309 1405484713 /nfs/dbraw/zinc/48/47/13/1405484713.db2.gz WQOOVKBRNBHONB-FQEVSTJZSA-N 2 0 345.531 3.309 20 0 EGADRP C[NH+](CC(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCCC2)C1)C1CCC1 ZINC001691966031 1405683236 /nfs/dbraw/zinc/68/32/36/1405683236.db2.gz YOKPZZWPJMWAKG-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001691989559 1405702276 /nfs/dbraw/zinc/70/22/76/1405702276.db2.gz JMZBMENMUWSBEU-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001698551455 1406149390 /nfs/dbraw/zinc/14/93/90/1406149390.db2.gz PMDCGWHLFWIASH-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCCCCC1 ZINC001698604127 1406230651 /nfs/dbraw/zinc/23/06/51/1406230651.db2.gz KCXPDJGZOVWASX-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001732059003 1428305776 /nfs/dbraw/zinc/30/57/76/1428305776.db2.gz KYBYUWWDWRVSEP-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001732072642 1428321286 /nfs/dbraw/zinc/32/12/86/1428321286.db2.gz KMKJCOIXSLDFEI-HNNXBMFYSA-N 2 0 337.533 3.004 20 0 EGADRP C[N@H+](CCCC1CCCC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001732079556 1428332203 /nfs/dbraw/zinc/33/22/03/1428332203.db2.gz KTDDLVVASAQJID-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001732086854 1428348001 /nfs/dbraw/zinc/34/80/01/1428348001.db2.gz HKNSEAFLPXALBY-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001732152503 1428396693 /nfs/dbraw/zinc/39/66/93/1428396693.db2.gz XOCHPNHXFOOIFN-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(c1cccc2nccn21)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001732327827 1428535361 /nfs/dbraw/zinc/53/53/61/1428535361.db2.gz QCAMSNWMRIEKQW-QGZVFWFLSA-N 2 0 340.471 3.109 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001732328118 1428535554 /nfs/dbraw/zinc/53/55/54/1428535554.db2.gz RTSNRVIMQIJKJD-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001732442109 1428582675 /nfs/dbraw/zinc/58/26/75/1428582675.db2.gz CPGSMIUJVLJBCW-JKSUJKDBSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001699382757 1412692338 /nfs/dbraw/zinc/69/23/38/1412692338.db2.gz BNDJULIBNYELRA-QZTJIDSGSA-N 2 0 345.531 3.271 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001699482170 1412876990 /nfs/dbraw/zinc/87/69/90/1412876990.db2.gz PLAKSTDQNSUMQQ-ICSRJNTNSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1C)C1CCCC1)[NH+](C)C ZINC001699794981 1413203108 /nfs/dbraw/zinc/20/31/08/1413203108.db2.gz AWJHTDBJXKRMPQ-UXHICEINSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699856285 1413287642 /nfs/dbraw/zinc/28/76/42/1413287642.db2.gz WNTAWQNYGNPHHN-WIYYLYMNSA-N 2 0 343.515 3.060 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001699870793 1413317300 /nfs/dbraw/zinc/31/73/00/1413317300.db2.gz BJQCLENKHAOKSZ-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001700190333 1413618247 /nfs/dbraw/zinc/61/82/47/1413618247.db2.gz AGGCPLNPHQCREE-GOSISDBHSA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001700203517 1413648512 /nfs/dbraw/zinc/64/85/12/1413648512.db2.gz RVXLQWPQOMAEIY-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CCCCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001700329377 1413804208 /nfs/dbraw/zinc/80/42/08/1413804208.db2.gz NKSKALKXPVBCBX-WOJBJXKFSA-N 2 0 345.531 3.232 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001700363391 1413882788 /nfs/dbraw/zinc/88/27/88/1413882788.db2.gz JOSBUCXAINUZJQ-HKUYNNGSSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)C/C=C\c1ccccc1 ZINC001700473509 1414096334 /nfs/dbraw/zinc/09/63/34/1414096334.db2.gz FFWXPRCKIFCQEY-GFBZKKKVSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H]1C ZINC001700826741 1414482222 /nfs/dbraw/zinc/48/22/22/1414482222.db2.gz UAQYIIZHHFVVIF-QUCCMNQESA-N 2 0 345.531 3.033 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001700903660 1414558907 /nfs/dbraw/zinc/55/89/07/1414558907.db2.gz IWXHWABYLJQVJX-RBUKOAKNSA-N 2 0 345.531 3.039 20 0 EGADRP CC[C@H]([NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001732701143 1428916497 /nfs/dbraw/zinc/91/64/97/1428916497.db2.gz FRHJBIZEXPSVQT-YJBOKZPZSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001732754948 1428949631 /nfs/dbraw/zinc/94/96/31/1428949631.db2.gz PVCONWCHTSKBAN-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001707088163 1417194779 /nfs/dbraw/zinc/19/47/79/1417194779.db2.gz FCBFQSWVQCGDBO-FHWLQOOXSA-N 2 0 337.552 3.170 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707436127 1417340285 /nfs/dbraw/zinc/34/02/85/1417340285.db2.gz GSMIZPCCMFWINT-VQIMIIECSA-N 2 0 337.552 3.124 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001713056979 1417610376 /nfs/dbraw/zinc/61/03/76/1417610376.db2.gz VGHLPWHEXGXKLS-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001713269119 1417878366 /nfs/dbraw/zinc/87/83/66/1417878366.db2.gz VDVDAXLKIQJIOO-LPHOPBHVSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CCC1CCCC1 ZINC001713313316 1417937978 /nfs/dbraw/zinc/93/79/78/1417937978.db2.gz IBLSVEXOTIXZSV-AWEZNQCLSA-N 2 0 337.533 3.098 20 0 EGADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001713328402 1417953233 /nfs/dbraw/zinc/95/32/33/1417953233.db2.gz XQXIRSUVYXOJCQ-QZTJIDSGSA-N 2 0 345.531 3.354 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713377574 1417987617 /nfs/dbraw/zinc/98/76/17/1417987617.db2.gz SKYYQVFBUPJDKT-RTBURBONSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001713467197 1418131015 /nfs/dbraw/zinc/13/10/15/1418131015.db2.gz COAMGTDWPOAPIP-QGZVFWFLSA-N 2 0 333.520 3.082 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001713757755 1418562544 /nfs/dbraw/zinc/56/25/44/1418562544.db2.gz LJIJXIDEHPNDDP-SJORKVTESA-N 2 0 349.494 3.009 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)CCCC(C)(C)C)CC1)[NH+](C)C ZINC001713766067 1418579580 /nfs/dbraw/zinc/57/95/80/1418579580.db2.gz LFGDULTZNSCASY-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001713785100 1418601855 /nfs/dbraw/zinc/60/18/55/1418601855.db2.gz IHSWEEGDVKMDPE-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835404 1418633130 /nfs/dbraw/zinc/63/31/30/1418633130.db2.gz VOCOJWVZHQOUNX-YLJYHZDGSA-N 2 0 345.531 3.403 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001713838544 1418636501 /nfs/dbraw/zinc/63/65/01/1418636501.db2.gz PNZOCGLBLUTSFI-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713896844 1418694728 /nfs/dbraw/zinc/69/47/28/1418694728.db2.gz LAGXONHWDNPIII-IBGZPJMESA-N 2 0 345.531 3.332 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713897199 1418695831 /nfs/dbraw/zinc/69/58/31/1418695831.db2.gz HWUGMLKMPRPSDX-RTBURBONSA-N 2 0 345.531 3.260 20 0 EGADRP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001714004391 1418783813 /nfs/dbraw/zinc/78/38/13/1418783813.db2.gz RMBOGEARAVPURH-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001714080665 1418874565 /nfs/dbraw/zinc/87/45/65/1418874565.db2.gz NQSMJBSJQUHXER-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001714085933 1418879675 /nfs/dbraw/zinc/87/96/75/1418879675.db2.gz FQDLBVCMKFEFCI-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC001714115001 1418916768 /nfs/dbraw/zinc/91/67/68/1418916768.db2.gz LQHODBZGWITPGX-PXNSSMCTSA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714237259 1419027094 /nfs/dbraw/zinc/02/70/94/1419027094.db2.gz XNRAEJCJGBZDFX-DLBZAZTESA-N 2 0 325.541 3.027 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001714308158 1419088208 /nfs/dbraw/zinc/08/82/08/1419088208.db2.gz ALPCGQQFAQBUCT-ROUUACIJSA-N 2 0 331.504 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC2CCCCCC2)C1 ZINC001714556530 1419284279 /nfs/dbraw/zinc/28/42/79/1419284279.db2.gz QNBSTNGEGYCQGF-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001714863702 1419589043 /nfs/dbraw/zinc/58/90/43/1419589043.db2.gz VERSXDUVTKBPLT-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001715044310 1419784611 /nfs/dbraw/zinc/78/46/11/1419784611.db2.gz OKNMPIHLSVIZGU-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001715099495 1419840280 /nfs/dbraw/zinc/84/02/80/1419840280.db2.gz FQVUEKNWMARWSL-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CC1CCCCC1 ZINC001715233103 1419964837 /nfs/dbraw/zinc/96/48/37/1419964837.db2.gz HXSNCMVRDWSELA-FXAWDEMLSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001715237997 1419968620 /nfs/dbraw/zinc/96/86/20/1419968620.db2.gz DAGKCMFMKNZLIM-PKOBYXMFSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001715497332 1420179069 /nfs/dbraw/zinc/17/90/69/1420179069.db2.gz DMIMXHSXSLCKLM-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001715990095 1420446025 /nfs/dbraw/zinc/44/60/25/1420446025.db2.gz PXRQTFPDBPDZFE-TXPKVOOTSA-N 2 0 345.531 3.234 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040953 1420502456 /nfs/dbraw/zinc/50/24/56/1420502456.db2.gz KIHQFRPWIKNZFB-XLIONFOSSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001716184421 1420555749 /nfs/dbraw/zinc/55/57/49/1420555749.db2.gz XTHJNSOHHJIBNV-OALUTQOASA-N 2 0 345.531 3.272 20 0 EGADRP C[C@H](C[N@H+](C)Cc1cccc(F)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001716505186 1420736161 /nfs/dbraw/zinc/73/61/61/1420736161.db2.gz BNVZCGCYDWQLIV-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001716799268 1420932203 /nfs/dbraw/zinc/93/22/03/1420932203.db2.gz BNGCKADKJCTUCK-KRWDZBQOSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001716853620 1420984982 /nfs/dbraw/zinc/98/49/82/1420984982.db2.gz FHGGVEQICRLKMC-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001716880530 1421004801 /nfs/dbraw/zinc/00/48/01/1421004801.db2.gz OTGMHKRCBBUPFJ-UZLBHIALSA-N 2 0 349.494 3.057 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001717212276 1421187175 /nfs/dbraw/zinc/18/71/75/1421187175.db2.gz BKTMKDSACMABJH-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001717217079 1421195425 /nfs/dbraw/zinc/19/54/25/1421195425.db2.gz OIYVKPWQVJSTOX-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC001733287725 1429463687 /nfs/dbraw/zinc/46/36/87/1429463687.db2.gz GHMJXQBTKUTYOV-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001717271039 1421228674 /nfs/dbraw/zinc/22/86/74/1421228674.db2.gz VGIXZCCDLRJWCS-UHFFFAOYSA-N 2 0 331.504 3.005 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]CC(C)C)o1 ZINC001717359540 1421294495 /nfs/dbraw/zinc/29/44/95/1421294495.db2.gz FRDULGYCLISMFS-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717371312 1421310557 /nfs/dbraw/zinc/31/05/57/1421310557.db2.gz OBSVZLZJIYOMRG-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC001733296004 1429477352 /nfs/dbraw/zinc/47/73/52/1429477352.db2.gz CHQJEENJDXRLRI-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001717485315 1421421487 /nfs/dbraw/zinc/42/14/87/1421421487.db2.gz JVRCIPDDRDZSGZ-IRXDYDNUSA-N 2 0 345.531 3.015 20 0 EGADRP Cc1cccc([C@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001717487701 1421424686 /nfs/dbraw/zinc/42/46/86/1421424686.db2.gz LDHNZQAQGGWVDA-ROUUACIJSA-N 2 0 347.547 3.470 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCCCC2)CCC1 ZINC001717537562 1421475622 /nfs/dbraw/zinc/47/56/22/1421475622.db2.gz HNZPBQUUKPRNJH-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC001717542553 1421482967 /nfs/dbraw/zinc/48/29/67/1421482967.db2.gz GZJWEBRCOCWBTA-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP C[N@H+](CCCC1CCCC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001717701438 1421574634 /nfs/dbraw/zinc/57/46/34/1421574634.db2.gz DOBAMLLNLNORKC-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001717705092 1421579901 /nfs/dbraw/zinc/57/99/01/1421579901.db2.gz FZSUSKPKDKKXLY-INIZCTEOSA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001733451372 1429663723 /nfs/dbraw/zinc/66/37/23/1429663723.db2.gz LIKSMZPHPRHNPL-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001724183721 1424718443 /nfs/dbraw/zinc/71/84/43/1424718443.db2.gz LBLORVFBYXCGQD-QUCCMNQESA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001724224434 1424741971 /nfs/dbraw/zinc/74/19/71/1424741971.db2.gz YARHAUWFXUQHEE-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001724295374 1424781228 /nfs/dbraw/zinc/78/12/28/1424781228.db2.gz RZQDOMGNKJJKND-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCC1CCCC1 ZINC001724850581 1425212820 /nfs/dbraw/zinc/21/28/20/1425212820.db2.gz IXMKCZCLNHHYFE-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001724855697 1425226008 /nfs/dbraw/zinc/22/60/08/1425226008.db2.gz NBTNVKIJTXNCJI-MRXNPFEDSA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001725419604 1426067223 /nfs/dbraw/zinc/06/72/23/1426067223.db2.gz GBSYCEOAQHUJMC-KRWDZBQOSA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001725585280 1426240360 /nfs/dbraw/zinc/24/03/60/1426240360.db2.gz GZXXDKBHUFYYAV-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CCCCCC1 ZINC001725623135 1426289168 /nfs/dbraw/zinc/28/91/68/1426289168.db2.gz ILXWOEBSXUJMHC-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2c(C)cc(C)cc2C)C1)[NH+](C)C ZINC001725786253 1426471973 /nfs/dbraw/zinc/47/19/73/1426471973.db2.gz KRPNGGGJDZVXBJ-AFMYVXGZSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731297634 1427239938 /nfs/dbraw/zinc/23/99/38/1427239938.db2.gz UJNWKCRCYNOIRY-PKOBYXMFSA-N 2 0 337.552 3.410 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001731592246 1427634325 /nfs/dbraw/zinc/63/43/25/1427634325.db2.gz NVYDCOJVFQWRAR-SFHVURJKSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001731678626 1427726191 /nfs/dbraw/zinc/72/61/91/1427726191.db2.gz CYHDQHVWVUJUES-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)[C@@H](C)c1ccccc1 ZINC001731873533 1428134092 /nfs/dbraw/zinc/13/40/92/1428134092.db2.gz LEJSZTBPUGDJGW-AZUAARDMSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001731977544 1428192487 /nfs/dbraw/zinc/19/24/87/1428192487.db2.gz XLOOLMCPRANETP-RHSMWYFYSA-N 2 0 339.911 3.035 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1 ZINC001733863805 1437692332 /nfs/dbraw/zinc/69/23/32/1437692332.db2.gz DZCPAYLQBLIWKB-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@@H+]1CC1CCC1 ZINC001734464071 1438120352 /nfs/dbraw/zinc/12/03/52/1438120352.db2.gz XGINEASZLZCJRK-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCCC1CCCC1 ZINC001751997495 1440131846 /nfs/dbraw/zinc/13/18/46/1440131846.db2.gz JNKDEZSBWIXNOE-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001752154682 1440146972 /nfs/dbraw/zinc/14/69/72/1440146972.db2.gz DJXISOQFBYTILS-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)C1 ZINC001752308986 1440169219 /nfs/dbraw/zinc/16/92/19/1440169219.db2.gz VRXBYBFSNXSQRV-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752508331 1440190045 /nfs/dbraw/zinc/19/00/45/1440190045.db2.gz QVXHNUMIZSZJPJ-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001752517742 1440191568 /nfs/dbraw/zinc/19/15/68/1440191568.db2.gz KDVRTRRREKGQJA-HXUWFJFHSA-N 2 0 345.531 3.007 20 0 EGADRP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001752526435 1440193006 /nfs/dbraw/zinc/19/30/06/1440193006.db2.gz UVROEUNQDTUWHU-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001752697872 1440201231 /nfs/dbraw/zinc/20/12/31/1440201231.db2.gz UUVCEJMZKMNLES-YQQQUEKLSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001752803084 1440215382 /nfs/dbraw/zinc/21/53/82/1440215382.db2.gz CPAURWZSKAZGIS-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752825208 1440223371 /nfs/dbraw/zinc/22/33/71/1440223371.db2.gz NHQNHKOTLOVNSQ-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001752854187 1440234371 /nfs/dbraw/zinc/23/43/71/1440234371.db2.gz VZGNZUJIKPXPHG-QBUPGPRJSA-N 2 0 349.563 3.480 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752900665 1440242788 /nfs/dbraw/zinc/24/27/88/1440242788.db2.gz JZADCCNWCGKVRO-ZCLAENRFSA-N 2 0 341.515 3.040 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001752920021 1440248347 /nfs/dbraw/zinc/24/83/47/1440248347.db2.gz PVJXGCRSYFPAJW-QZTJIDSGSA-N 2 0 331.504 3.108 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001752977479 1440256477 /nfs/dbraw/zinc/25/64/77/1440256477.db2.gz VQJOJABJPGRQQU-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753000382 1440264495 /nfs/dbraw/zinc/26/44/95/1440264495.db2.gz RXXDWDRWJQQBOX-XLIONFOSSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001753038691 1440275550 /nfs/dbraw/zinc/27/55/50/1440275550.db2.gz WMOLJFCPVXADGU-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001753040259 1440275983 /nfs/dbraw/zinc/27/59/83/1440275983.db2.gz UNTFBFDZBPTGFO-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCC1CCCCC1 ZINC001753085300 1440295896 /nfs/dbraw/zinc/29/58/96/1440295896.db2.gz VOTTVYGPJQXLAJ-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1C(C)C ZINC001753115335 1440310785 /nfs/dbraw/zinc/31/07/85/1440310785.db2.gz DJRONCNNQCHGHI-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)c1cc(C)ccc1C ZINC001753142968 1440322397 /nfs/dbraw/zinc/32/23/97/1440322397.db2.gz QRIALTVGOJZEOV-QUCCMNQESA-N 2 0 345.531 3.287 20 0 EGADRP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccc(F)cc1 ZINC001753191348 1440337718 /nfs/dbraw/zinc/33/77/18/1440337718.db2.gz XNAPVQAQLPWGLH-IPMKNSEASA-N 2 0 349.494 3.055 20 0 EGADRP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753197235 1440338164 /nfs/dbraw/zinc/33/81/64/1440338164.db2.gz UYOKEJYSLVSZLI-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001753265694 1440344739 /nfs/dbraw/zinc/34/47/39/1440344739.db2.gz KHFHEPHRCICFBP-VQIMIIECSA-N 2 0 349.494 3.055 20 0 EGADRP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001753319712 1440362540 /nfs/dbraw/zinc/36/25/40/1440362540.db2.gz LDMYSZAAAGLMBX-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001753337132 1440373083 /nfs/dbraw/zinc/37/30/83/1440373083.db2.gz HOXGQBNVXHWPOT-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CCC(=O)NCC1C[NH+](CC2=CCCCC2)C1)C1CCCCC1 ZINC001753406823 1440392149 /nfs/dbraw/zinc/39/21/49/1440392149.db2.gz KYSSFQPCRPZDFI-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001753440187 1440401423 /nfs/dbraw/zinc/40/14/23/1440401423.db2.gz UYEABWDOGGGYNR-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001753446265 1440404074 /nfs/dbraw/zinc/40/40/74/1440404074.db2.gz HFLLENGMNLEOIE-OALUTQOASA-N 2 0 345.531 3.239 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753449823 1440405349 /nfs/dbraw/zinc/40/53/49/1440405349.db2.gz KBEHWIAMZDRJDG-VOFKWLDRSA-N 2 0 335.536 3.142 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753450198 1440405767 /nfs/dbraw/zinc/40/57/67/1440405767.db2.gz ODXJSPVULNPISS-QUCCMNQESA-N 2 0 343.515 3.156 20 0 EGADRP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001753461922 1440411247 /nfs/dbraw/zinc/41/12/47/1440411247.db2.gz OXODJTDHYYSJQC-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC001753511802 1440426214 /nfs/dbraw/zinc/42/62/14/1440426214.db2.gz MSBNCZUEMPMPQT-OALUTQOASA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@](C[NH2+]CC1CCC(C)(C)CC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001753527184 1440429853 /nfs/dbraw/zinc/42/98/53/1440429853.db2.gz IHWQPAGPGNGDOJ-NRFANRHFSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH2+]C[C@@]1(NC(=O)c2ccc(C[NH+](CC)CC)o2)CCCC[C@@H]1C ZINC001753538046 1440433032 /nfs/dbraw/zinc/43/30/32/1440433032.db2.gz VWAWSCUIYBDTRD-JXFKEZNVSA-N 2 0 349.519 3.410 20 0 EGADRP CC[NH2+]C[C@]1(NC(=O)c2ccc(C[NH+](CC)CC)o2)CCCC[C@H]1C ZINC001753538048 1440433072 /nfs/dbraw/zinc/43/30/72/1440433072.db2.gz VWAWSCUIYBDTRD-OXQOHEQNSA-N 2 0 349.519 3.410 20 0 EGADRP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753547868 1440434595 /nfs/dbraw/zinc/43/45/95/1440434595.db2.gz FZOWRPUZSGXYKM-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001753559779 1440436730 /nfs/dbraw/zinc/43/67/30/1440436730.db2.gz NOWWMSJXGDAXMN-RTBURBONSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(CC[NH2+]CCC3CC3)CC2)C1 ZINC001753577335 1440439507 /nfs/dbraw/zinc/43/95/07/1440439507.db2.gz ZGBMHBPZNWXWRQ-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1)c1ccccc1 ZINC001753590835 1440442862 /nfs/dbraw/zinc/44/28/62/1440442862.db2.gz QGVJWUKOLAQPHB-KRWDZBQOSA-N 2 0 339.483 3.105 20 0 EGADRP CC(C)CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001753591336 1440443042 /nfs/dbraw/zinc/44/30/42/1440443042.db2.gz VMKWYLCFZIFJKZ-YLJYHZDGSA-N 2 0 345.531 3.169 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC2CC[NH+](CC3CC(C)(C)C3)CC2)CCC1 ZINC001753595007 1440444338 /nfs/dbraw/zinc/44/43/38/1440444338.db2.gz PQDBCEUGMPCHBE-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001753598524 1440445612 /nfs/dbraw/zinc/44/56/12/1440445612.db2.gz KNJXMAIQEBZVHM-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753602008 1440446635 /nfs/dbraw/zinc/44/66/35/1440446635.db2.gz YDASFLYFVVBJGP-PWBPZBFBSA-N 2 0 335.536 3.188 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001753617922 1440450116 /nfs/dbraw/zinc/45/01/16/1440450116.db2.gz BGPPVFOMPZKWGK-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CC1CCCCC1 ZINC001753632180 1440452338 /nfs/dbraw/zinc/45/23/38/1440452338.db2.gz ITCMXSOSYZAQKL-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001753632400 1440452492 /nfs/dbraw/zinc/45/24/92/1440452492.db2.gz NIBOVWRQENCZPS-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753639487 1440454121 /nfs/dbraw/zinc/45/41/21/1440454121.db2.gz HBEXCBZPAAOILC-IEBWSBKVSA-N 2 0 349.563 3.031 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001753671124 1440462014 /nfs/dbraw/zinc/46/20/14/1440462014.db2.gz RLXSPUPJYYGVSQ-DUMMIQTOSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001753725673 1440474337 /nfs/dbraw/zinc/47/43/37/1440474337.db2.gz HVJWYVUDHFLILE-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)C[N@H+](C)C(C)C ZINC001753743929 1440480193 /nfs/dbraw/zinc/48/01/93/1440480193.db2.gz XMLWJSUJUUJXCO-UYAOXDASSA-N 2 0 345.531 3.135 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001753749947 1440482348 /nfs/dbraw/zinc/48/23/48/1440482348.db2.gz USHCKDWJTPNESV-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001753755677 1440483069 /nfs/dbraw/zinc/48/30/69/1440483069.db2.gz VBQDGJJLLWNAFU-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001753784236 1440487807 /nfs/dbraw/zinc/48/78/07/1440487807.db2.gz MGOJNYVUWIUWOJ-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1C[NH2+]CCC(C)(C)C ZINC001753812600 1440493135 /nfs/dbraw/zinc/49/31/35/1440493135.db2.gz FPSIZGBBAYFHLO-ROUUACIJSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001753829990 1440499394 /nfs/dbraw/zinc/49/93/94/1440499394.db2.gz ROVLOECTZYPBAV-MOPGFXCFSA-N 2 0 335.536 3.090 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001753899172 1440523196 /nfs/dbraw/zinc/52/31/96/1440523196.db2.gz HIFAIRLEABBLGR-ZWKOTPCHSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)CC[NH2+]CCCC2CCC2)ccc2c[nH+]cn21 ZINC001753977855 1440527728 /nfs/dbraw/zinc/52/77/28/1440527728.db2.gz CESKQFVJTSGGQX-HNNXBMFYSA-N 2 0 342.487 3.321 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001754255001 1440558897 /nfs/dbraw/zinc/55/88/97/1440558897.db2.gz WDSZRBYPLDNIQA-MJGOQNOKSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001754325521 1440580103 /nfs/dbraw/zinc/58/01/03/1440580103.db2.gz QLERXYFGTHLOQZ-KRWDZBQOSA-N 2 0 337.552 3.291 20 0 EGADRP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754331405 1440584172 /nfs/dbraw/zinc/58/41/72/1440584172.db2.gz SLOVFGDKBIOBQX-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCCCCC1 ZINC001754336000 1440586541 /nfs/dbraw/zinc/58/65/41/1440586541.db2.gz JLBHXCREYFOTBC-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001754463975 1440603949 /nfs/dbraw/zinc/60/39/49/1440603949.db2.gz HHKIFAZXJACSPW-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001754471202 1440605408 /nfs/dbraw/zinc/60/54/08/1440605408.db2.gz WOWVHXPOXHRWNS-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001754470855 1440605486 /nfs/dbraw/zinc/60/54/86/1440605486.db2.gz RTOQXACDZLVYKN-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754495902 1440612192 /nfs/dbraw/zinc/61/21/92/1440612192.db2.gz AVJBSURGQGNJGA-FXAWDEMLSA-N 2 0 345.531 3.403 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001754504057 1440615341 /nfs/dbraw/zinc/61/53/41/1440615341.db2.gz CMKNPGOLRJKJLA-ASIGSXEYSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1)c1ccccc1Cl ZINC001754515963 1440618595 /nfs/dbraw/zinc/61/85/95/1440618595.db2.gz IXOTYRDZJJUOLC-AWEZNQCLSA-N 2 0 349.906 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CC1)[NH+]1CCCCC1 ZINC001754535434 1440624152 /nfs/dbraw/zinc/62/41/52/1440624152.db2.gz IEBLBZIAHURCIJ-SFHVURJKSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001754542785 1440626504 /nfs/dbraw/zinc/62/65/04/1440626504.db2.gz DSXZXCCHSKOOHQ-UEIMZRGPSA-N 2 0 347.547 3.282 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001754568338 1440636694 /nfs/dbraw/zinc/63/66/94/1440636694.db2.gz CAYAQBIAVOCHQS-FQEVSTJZSA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001754604153 1440642869 /nfs/dbraw/zinc/64/28/69/1440642869.db2.gz SKDFPUQDLYHUIQ-WWAPKCSDSA-N 2 0 335.536 3.188 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001754622598 1440645472 /nfs/dbraw/zinc/64/54/72/1440645472.db2.gz YIRSBBCAPMAXQC-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)c1 ZINC001754648854 1440651337 /nfs/dbraw/zinc/65/13/37/1440651337.db2.gz BZWIJMIKVBPCJD-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)cc1C ZINC001754651508 1440652000 /nfs/dbraw/zinc/65/20/00/1440652000.db2.gz TWWRBMAMLDFPME-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754670254 1440657935 /nfs/dbraw/zinc/65/79/35/1440657935.db2.gz MFQOWIMDSFBDCZ-GHTZIAJQSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001754694940 1440666870 /nfs/dbraw/zinc/66/68/70/1440666870.db2.gz IUGMCBWBUZHWMT-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754697312 1440667250 /nfs/dbraw/zinc/66/72/50/1440667250.db2.gz OUDFBZDXTKRAHE-IHHMQQGQSA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@](C)(C[NH2+]CCC3CCCC3)C2)CC1 ZINC001754706858 1440669249 /nfs/dbraw/zinc/66/92/49/1440669249.db2.gz GWSUPJJWXILELL-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001754713263 1440670737 /nfs/dbraw/zinc/67/07/37/1440670737.db2.gz RWWTZNNNHOSQPP-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001754732096 1440680110 /nfs/dbraw/zinc/68/01/10/1440680110.db2.gz NJCCNERXRWQLFD-OAQYLSRUSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001754783573 1440687071 /nfs/dbraw/zinc/68/70/71/1440687071.db2.gz OKGAQYISQUZZBD-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754796752 1440689687 /nfs/dbraw/zinc/68/96/87/1440689687.db2.gz GDGCQDLVHNGTPT-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001754828224 1440693858 /nfs/dbraw/zinc/69/38/58/1440693858.db2.gz GMRCFJMOAPMDNL-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001754945016 1440712468 /nfs/dbraw/zinc/71/24/68/1440712468.db2.gz PKQLTRDHPLGWQZ-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001754952623 1440715347 /nfs/dbraw/zinc/71/53/47/1440715347.db2.gz CETJTHZHVMPSPH-SAABIXHNSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001754954574 1440716126 /nfs/dbraw/zinc/71/61/26/1440716126.db2.gz HSAMGJJEGHURTC-IYARVYRRSA-N 2 0 337.552 3.314 20 0 EGADRP CCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001754955131 1440716139 /nfs/dbraw/zinc/71/61/39/1440716139.db2.gz VACRKMQQSCSKQJ-HXUWFJFHSA-N 2 0 345.531 3.409 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001754955636 1440716398 /nfs/dbraw/zinc/71/63/98/1440716398.db2.gz LKKFHJIXABDUCY-MTHXSQLBSA-N 2 0 337.552 3.027 20 0 EGADRP CC/C=C/CC[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001754962734 1440717989 /nfs/dbraw/zinc/71/79/89/1440717989.db2.gz MKAAVHXOFZIWRZ-ONEGZZNKSA-N 2 0 347.547 3.143 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001754988015 1440723404 /nfs/dbraw/zinc/72/34/04/1440723404.db2.gz OHLJGRNYLXMZLE-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027516 1440729544 /nfs/dbraw/zinc/72/95/44/1440729544.db2.gz BBHRDNCFKWXYSV-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001755033785 1440733133 /nfs/dbraw/zinc/73/31/33/1440733133.db2.gz FCSJRMLQOAHIHW-HXUWFJFHSA-N 2 0 345.531 3.114 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755034204 1440733328 /nfs/dbraw/zinc/73/33/28/1440733328.db2.gz NHAKEDNWWASEIK-IBGZPJMESA-N 2 0 337.552 3.413 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755042372 1440738065 /nfs/dbraw/zinc/73/80/65/1440738065.db2.gz ZOKOKXSSVXRPOR-INIZCTEOSA-N 2 0 349.494 3.009 20 0 EGADRP CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755073084 1440747333 /nfs/dbraw/zinc/74/73/33/1440747333.db2.gz FYUGXEYLXVWFGJ-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001755073373 1440747439 /nfs/dbraw/zinc/74/74/39/1440747439.db2.gz RHUMZGUBGFJHLT-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001755129958 1440756940 /nfs/dbraw/zinc/75/69/40/1440756940.db2.gz ZLVSREQEULCDPK-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001755135737 1440758183 /nfs/dbraw/zinc/75/81/83/1440758183.db2.gz BTLQNEBVPNYVIO-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001755135904 1440758208 /nfs/dbraw/zinc/75/82/08/1440758208.db2.gz HMZDCGPHVSALMU-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC1(C)C ZINC001755144067 1440762517 /nfs/dbraw/zinc/76/25/17/1440762517.db2.gz WJMCLQRXNMNASN-GOSISDBHSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCC1 ZINC001755162448 1440765355 /nfs/dbraw/zinc/76/53/55/1440765355.db2.gz VFNHGHHIFGMZNB-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001755165649 1440766995 /nfs/dbraw/zinc/76/69/95/1440766995.db2.gz PGSPHODWKZWEQG-PKOBYXMFSA-N 2 0 349.563 3.266 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001755198179 1440778097 /nfs/dbraw/zinc/77/80/97/1440778097.db2.gz VQQIRWWIYJIYBO-LJQANCHMSA-N 2 0 335.536 3.142 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755242081 1440789611 /nfs/dbraw/zinc/78/96/11/1440789611.db2.gz KTQQIJVQLWILJL-KTYGHDLGSA-N 2 0 342.487 3.486 20 0 EGADRP CC/C=C\CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001755281577 1440800763 /nfs/dbraw/zinc/80/07/63/1440800763.db2.gz OMDQQWYDTOXHML-RJCMGOLDSA-N 2 0 349.563 3.434 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001755328513 1440823327 /nfs/dbraw/zinc/82/33/27/1440823327.db2.gz QQZNOWOPCRAZCA-GOSISDBHSA-N 2 0 345.531 3.062 20 0 EGADRP CCc1ccccc1C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755329172 1440823717 /nfs/dbraw/zinc/82/37/17/1440823717.db2.gz XMCWGBCNFRSVBH-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001755339442 1440824709 /nfs/dbraw/zinc/82/47/09/1440824709.db2.gz JQPLRWXCMNVUCL-UXHICEINSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001755392048 1440842397 /nfs/dbraw/zinc/84/23/97/1440842397.db2.gz NLGRNQSDKVNZOW-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001755412902 1440847165 /nfs/dbraw/zinc/84/71/65/1440847165.db2.gz SFZZBEICPKMJQS-KRWDZBQOSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001755472513 1440859083 /nfs/dbraw/zinc/85/90/83/1440859083.db2.gz XWRVSULQXYRXDH-BZSNNMDCSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCC1 ZINC001755498629 1440862350 /nfs/dbraw/zinc/86/23/50/1440862350.db2.gz MPFAZQBMFMDSCV-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755507592 1440863172 /nfs/dbraw/zinc/86/31/72/1440863172.db2.gz SLXLRBAJFCXGGF-PKOBYXMFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH2+]CCCN(Cc1ccccc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001755537896 1440870247 /nfs/dbraw/zinc/87/02/47/1440870247.db2.gz ZUGGCYWEQRFFKR-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001755609530 1440886559 /nfs/dbraw/zinc/88/65/59/1440886559.db2.gz AEDPECXZNULCRJ-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1)c1ccccc1 ZINC001755610539 1440886959 /nfs/dbraw/zinc/88/69/59/1440886959.db2.gz ONAFLWJSBAZLRX-XLIONFOSSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755661830 1440892822 /nfs/dbraw/zinc/89/28/22/1440892822.db2.gz QLDYWWKGXQZQOI-APWZRJJASA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001755663184 1440893004 /nfs/dbraw/zinc/89/30/04/1440893004.db2.gz FAGWNCJWBQMAIB-MJGOQNOKSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@H]1[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001755663297 1440893080 /nfs/dbraw/zinc/89/30/80/1440893080.db2.gz JSIGGDQORBDYTD-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001755687488 1440896235 /nfs/dbraw/zinc/89/62/35/1440896235.db2.gz YJFJADBFQDTLLD-PXNSSMCTSA-N 2 0 345.531 3.029 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCCC(C)C)CC3)CC[N@@H+]1C ZINC001755702269 1440900589 /nfs/dbraw/zinc/90/05/89/1440900589.db2.gz PAWSZPLBOYZCMU-PXCRPINLSA-N 2 0 349.563 3.266 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@@]3(NC(=O)CCC[NH+]4CCCC4)CCC[C@H]23)C1 ZINC001755704794 1440902120 /nfs/dbraw/zinc/90/21/20/1440902120.db2.gz QHDGPKFQVQETBU-XSNSTOHYSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CCCCC1 ZINC001755716496 1440905233 /nfs/dbraw/zinc/90/52/33/1440905233.db2.gz AGRIRZOEVHTSOV-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CCC[N@@H+]1CC1CC1 ZINC001755716909 1440905409 /nfs/dbraw/zinc/90/54/09/1440905409.db2.gz POKYVJNMSGYKOE-QAPCUYQASA-N 2 0 335.536 3.019 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](CC)c2ccccc2)C(C)(C)C1 ZINC001755765557 1440916039 /nfs/dbraw/zinc/91/60/39/1440916039.db2.gz RMAAPVKWALEJTI-MOPGFXCFSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001755766680 1440916318 /nfs/dbraw/zinc/91/63/18/1440916318.db2.gz OXMIETBKZJQSBZ-RTBURBONSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)CC[NH+](C)C ZINC001755811758 1440920607 /nfs/dbraw/zinc/92/06/07/1440920607.db2.gz AUSVDKTZPUSYMC-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)C[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755814753 1440922661 /nfs/dbraw/zinc/92/26/61/1440922661.db2.gz NBMSDBNNRBSMCQ-GOSISDBHSA-N 2 0 325.541 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001755836361 1440930312 /nfs/dbraw/zinc/93/03/12/1440930312.db2.gz SDAUCSAROSXJMF-MOPGFXCFSA-N 2 0 345.531 3.136 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001755836108 1440930378 /nfs/dbraw/zinc/93/03/78/1440930378.db2.gz NAIXLZUPHXSSGH-DAWZGUTISA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755839945 1440931219 /nfs/dbraw/zinc/93/12/19/1440931219.db2.gz OHJZNOVTJVLCJZ-QGZVFWFLSA-N 2 0 325.541 3.027 20 0 EGADRP CCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001755847673 1440933814 /nfs/dbraw/zinc/93/38/14/1440933814.db2.gz FUSLYFPUKMVCTE-LNLFQRSKSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC2CCCC2)CC1 ZINC001755850634 1440934788 /nfs/dbraw/zinc/93/47/88/1440934788.db2.gz KJYQNKNPIVSARX-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001755851219 1440934900 /nfs/dbraw/zinc/93/49/00/1440934900.db2.gz RUEBNZVWYONAFI-SFHVURJKSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]CC(CC)CC)C2)C1 ZINC001755860276 1440936610 /nfs/dbraw/zinc/93/66/10/1440936610.db2.gz YSHPRAXSTFZLHZ-VIQWUECVSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000051694084 214100989 /nfs/dbraw/zinc/10/09/89/214100989.db2.gz ALAGPWNESFNGID-UHFFFAOYSA-N 2 0 349.219 3.410 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccc(CO)o1 ZINC000174272143 231162976 /nfs/dbraw/zinc/16/29/76/231162976.db2.gz SAUMXXOBWJFKFL-INIZCTEOSA-N 2 0 328.456 3.436 20 0 EGADRP C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724627 231291188 /nfs/dbraw/zinc/29/11/88/231291188.db2.gz DKUZSGQADPZXRX-CQSZACIVSA-N 2 0 327.875 3.109 20 0 EGADRP C[NH+](C)CC(C)(C)CNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000103168971 219264901 /nfs/dbraw/zinc/26/49/01/219264901.db2.gz FXTLFRRUKZDKMZ-UHFFFAOYSA-N 2 0 347.484 3.216 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCOc3ccccc32)ccn1 ZINC000179509214 233119267 /nfs/dbraw/zinc/11/92/67/233119267.db2.gz FEOPDMWSDOJISG-GOSISDBHSA-N 2 0 341.455 3.026 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC[N@@H+]1C ZINC000180902512 234024726 /nfs/dbraw/zinc/02/47/26/234024726.db2.gz DVJKZGSXPZJJBE-SWLSCSKDSA-N 2 0 334.851 3.005 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+]CCCN3CCC[N@H+](C)CC3)oc21 ZINC000181705905 234293753 /nfs/dbraw/zinc/29/37/53/234293753.db2.gz VBABUVIKMZQIGZ-INIZCTEOSA-N 2 0 345.487 3.120 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184090379 235304245 /nfs/dbraw/zinc/30/42/45/235304245.db2.gz GBVZIHBIRREZLQ-CKEIUWERSA-N 2 0 346.450 3.127 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)CCS2 ZINC000186948915 236075127 /nfs/dbraw/zinc/07/51/27/236075127.db2.gz DOACETSHRRCBPU-SFHVURJKSA-N 2 0 333.545 3.067 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189123085 236769100 /nfs/dbraw/zinc/76/91/00/236769100.db2.gz GYTOBPMEAIREEP-CTNGQTDRSA-N 2 0 330.516 3.488 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(C)s1 ZINC000130454111 223154218 /nfs/dbraw/zinc/15/42/18/223154218.db2.gz OLKOUMKNCCYDKN-HNNXBMFYSA-N 2 0 344.528 3.363 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227330506 242129721 /nfs/dbraw/zinc/12/97/21/242129721.db2.gz PBNVUQCPFJHNIQ-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236698782 242325017 /nfs/dbraw/zinc/32/50/17/242325017.db2.gz VAEQWSNRSJVHGO-GOSISDBHSA-N 2 0 331.504 3.052 20 0 EGADRP Brc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246084610 243190039 /nfs/dbraw/zinc/19/00/39/243190039.db2.gz ZCOUMQSWDNKCGA-CABCVRRESA-N 2 0 339.277 3.044 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2ccccc2n1 ZINC000268884631 296122051 /nfs/dbraw/zinc/12/20/51/296122051.db2.gz IGVOAXAKVJRISS-AEFFLSMTSA-N 2 0 327.472 3.122 20 0 EGADRP C[C@@H]([NH2+]CCOCC[NH2+][C@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000181548120 296125886 /nfs/dbraw/zinc/12/58/86/296125886.db2.gz HDTRLNONWUNABV-HZPDHXFCSA-N 2 0 344.455 3.116 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC(C)(C)C ZINC000249774529 296135607 /nfs/dbraw/zinc/13/56/07/296135607.db2.gz VKLOGYLSFVAINL-IAGOWNOFSA-N 2 0 345.531 3.454 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000377648133 169054829 /nfs/dbraw/zinc/05/48/29/169054829.db2.gz OCIIEBVGKFISPS-NVXWUHKLSA-N 2 0 349.544 3.074 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cccnc2)CC1 ZINC000092739571 218163922 /nfs/dbraw/zinc/16/39/22/218163922.db2.gz MRYPBLSMQDWPRU-GOSISDBHSA-N 2 0 338.499 3.070 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000093401395 218222498 /nfs/dbraw/zinc/22/24/98/218222498.db2.gz NQTHXFMRUOJESH-KRWDZBQOSA-N 2 0 344.528 3.396 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000355542439 284788596 /nfs/dbraw/zinc/78/85/96/284788596.db2.gz DQYOMZTVFQUMGH-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263305515 296312787 /nfs/dbraw/zinc/31/27/87/296312787.db2.gz XTLULEFFQRVJNA-DOADOZAASA-N 2 0 335.536 3.007 20 0 EGADRP COCCC[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000268763306 252212948 /nfs/dbraw/zinc/21/29/48/252212948.db2.gz OXNFTMWDGTUWRB-HXUWFJFHSA-N 2 0 347.547 3.302 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000268836348 252285170 /nfs/dbraw/zinc/28/51/70/252285170.db2.gz BNALISFYXXGUNB-COPCDDAFSA-N 2 0 338.495 3.090 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000153802687 224160253 /nfs/dbraw/zinc/16/02/53/224160253.db2.gz KIIURYMUAOWFLQ-QGZVFWFLSA-N 2 0 327.472 3.368 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000154458879 224255976 /nfs/dbraw/zinc/25/59/76/224255976.db2.gz HPOJOZASKABNPU-KBXCAEBGSA-N 2 0 334.485 3.073 20 0 EGADRP O[C@@H](C[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1ccsc1 ZINC000178977293 285300490 /nfs/dbraw/zinc/30/04/90/285300490.db2.gz BGJLANLAJVWFGC-IBGZPJMESA-N 2 0 330.497 3.283 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337999447 285310484 /nfs/dbraw/zinc/31/04/84/285310484.db2.gz OODHHMJOHCVCFA-OQIJWPOYSA-N 2 0 326.500 3.262 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2coc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000237610531 141010861 /nfs/dbraw/zinc/01/08/61/141010861.db2.gz MMTHWZSLVRJKPW-IRXDYDNUSA-N 2 0 343.471 3.321 20 0 EGADRP OC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000342812753 141149978 /nfs/dbraw/zinc/14/99/78/141149978.db2.gz MTHGDYKETPTXRH-XUVXKRRUSA-N 2 0 328.500 3.182 20 0 EGADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812885 141149995 /nfs/dbraw/zinc/14/99/95/141149995.db2.gz DOEJDRBKHJMPTQ-GHTZIAJQSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347935597 141220290 /nfs/dbraw/zinc/22/02/90/141220290.db2.gz PXQVSKZWGQLODS-WMZOPIPTSA-N 2 0 344.499 3.243 20 0 EGADRP CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350561663 141253929 /nfs/dbraw/zinc/25/39/29/141253929.db2.gz YHLHETCMOMUYOB-NHCUHLMSSA-N 2 0 340.515 3.465 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000357945188 141363603 /nfs/dbraw/zinc/36/36/03/141363603.db2.gz NQTLTTPQVKTKDX-MRXNPFEDSA-N 2 0 335.467 3.126 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000359619581 141387635 /nfs/dbraw/zinc/38/76/35/141387635.db2.gz KGCGUYQZURKBFR-QGZVFWFLSA-N 2 0 331.504 3.048 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCSCC1 ZINC000187170333 144154155 /nfs/dbraw/zinc/15/41/55/144154155.db2.gz TXDUMIXHWMOFEL-INIZCTEOSA-N 2 0 348.556 3.265 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[N@@H+]1C ZINC000344686480 144209941 /nfs/dbraw/zinc/20/99/41/144209941.db2.gz SEIKGKXKKLBJPU-APWZRJJASA-N 2 0 325.456 3.233 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CN(Cc2ccccc2)C1 ZINC000344723525 144215900 /nfs/dbraw/zinc/21/59/00/144215900.db2.gz KWJAJWSSBIBESP-QUCCMNQESA-N 2 0 329.532 3.219 20 0 EGADRP Cc1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488462 144268805 /nfs/dbraw/zinc/26/88/05/144268805.db2.gz FRRJBBFNNXAKKY-BPUTZDHNSA-N 2 0 331.847 3.473 20 0 EGADRP C[N@H+](C[C@H](O)CN1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516319 144273013 /nfs/dbraw/zinc/27/30/13/144273013.db2.gz XKKYSYQJOYLUCJ-VXKWHMMOSA-N 2 0 336.479 3.241 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1[nH+]ccn1-c1ccccc1 ZINC000351570654 144282135 /nfs/dbraw/zinc/28/21/35/144282135.db2.gz ZMCDHBOBVGAKEL-UHFFFAOYSA-N 2 0 330.395 3.374 20 0 EGADRP CO[C@]1(C)CCC[N@H+](CCCCC[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348227701 286160309 /nfs/dbraw/zinc/16/03/09/286160309.db2.gz FFQASIPGSDZCJA-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341492969 155323534 /nfs/dbraw/zinc/32/35/34/155323534.db2.gz FNZFICMUCPLZCD-IBGZPJMESA-N 2 0 344.547 3.148 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000120278759 152263031 /nfs/dbraw/zinc/26/30/31/152263031.db2.gz SHRKSKFMOQTBQQ-HZPDHXFCSA-N 2 0 347.528 3.047 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120888801 152308653 /nfs/dbraw/zinc/30/86/53/152308653.db2.gz WVPVVGPNEYSQDO-DLBZAZTESA-N 2 0 335.561 3.333 20 0 EGADRP FC(F)(F)c1ccn([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)n1 ZINC000189181519 153056035 /nfs/dbraw/zinc/05/60/35/153056035.db2.gz CNZQVDFRSBFZFU-OAHLLOKOSA-N 2 0 344.425 3.415 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192795806 153259858 /nfs/dbraw/zinc/25/98/58/153259858.db2.gz XVYZZSMNVMJSHM-GOOCMWNKSA-N 2 0 335.879 3.192 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192922943 153266400 /nfs/dbraw/zinc/26/64/00/153266400.db2.gz CPEPJSDOECPHBZ-GOSISDBHSA-N 2 0 340.515 3.157 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000193165765 153281275 /nfs/dbraw/zinc/28/12/75/153281275.db2.gz MMTFILBRNJEIQM-XLIONFOSSA-N 2 0 344.499 3.345 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000195133674 153382130 /nfs/dbraw/zinc/38/21/30/153382130.db2.gz SKFMVNCUALOYIL-MTQWCTHYSA-N 2 0 326.484 3.056 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000262965477 153876778 /nfs/dbraw/zinc/87/67/78/153876778.db2.gz LGFABCXSWIAPRO-ICSRJNTNSA-N 2 0 347.503 3.253 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182313 154038789 /nfs/dbraw/zinc/03/87/89/154038789.db2.gz KWAJSIHOUMEQGC-BJLQDIEVSA-N 2 0 345.531 3.164 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000321224758 154167138 /nfs/dbraw/zinc/16/71/38/154167138.db2.gz ZRNARRGWLATNML-UHFFFAOYSA-N 2 0 334.489 3.052 20 0 EGADRP FC(F)(F)OCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000336655115 154209215 /nfs/dbraw/zinc/20/92/15/154209215.db2.gz FNNLOKXFDBXKDA-HRCADAONSA-N 2 0 328.378 3.023 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000337383571 154324864 /nfs/dbraw/zinc/32/48/64/154324864.db2.gz KAIHGIXQFZQITH-RYQLBKOJSA-N 2 0 332.488 3.160 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000339935443 155040496 /nfs/dbraw/zinc/04/04/96/155040496.db2.gz HGYIGGVEFVGTOT-QGZVFWFLSA-N 2 0 348.535 3.056 20 0 EGADRP C[C@@H](C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000345318426 156053742 /nfs/dbraw/zinc/05/37/42/156053742.db2.gz VVYWWFZSOJFOOS-KXBFYZLASA-N 2 0 335.923 3.407 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccsc1 ZINC000346829831 156154243 /nfs/dbraw/zinc/15/42/43/156154243.db2.gz YCQIYQJCDAMHGF-ZBFHGGJFSA-N 2 0 339.549 3.414 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(C)C ZINC000346848907 156163191 /nfs/dbraw/zinc/16/31/91/156163191.db2.gz FOMFSRQGRWTBGJ-RCCFBDPRSA-N 2 0 332.488 3.289 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000346871280 156171741 /nfs/dbraw/zinc/17/17/41/156171741.db2.gz FWSLQIYZKCKELC-ZWKOTPCHSA-N 2 0 345.531 3.280 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349002341 156313656 /nfs/dbraw/zinc/31/36/56/156313656.db2.gz PEEJSIRWHGZGDX-XMTFNYHQSA-N 2 0 337.552 3.265 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000368727416 157273883 /nfs/dbraw/zinc/27/38/83/157273883.db2.gz JDFHDTHZRPOQNW-LJQANCHMSA-N 2 0 343.515 3.156 20 0 EGADRP C(CCCC[NH+]1CCCOCC1)CCCC[N@@H+]1CCCOCC1 ZINC000368735123 157275133 /nfs/dbraw/zinc/27/51/33/157275133.db2.gz ZVGNREHJVODGFS-UHFFFAOYSA-N 2 0 326.525 3.162 20 0 EGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C[NH+](C)C)cc3)c(C)n2n1 ZINC000093370293 162006897 /nfs/dbraw/zinc/00/68/97/162006897.db2.gz UAXDBZZHUNHTSJ-OAHLLOKOSA-N 2 0 337.471 3.259 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000093769458 162025772 /nfs/dbraw/zinc/02/57/72/162025772.db2.gz VGEYAIRKWCFQAZ-UHFFFAOYSA-N 2 0 334.504 3.266 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000113933997 162219703 /nfs/dbraw/zinc/21/97/03/162219703.db2.gz LQTXZHVSZFNDFV-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1OC(F)F ZINC000126224867 162296489 /nfs/dbraw/zinc/29/64/89/162296489.db2.gz LDCYJJRBGYKYOR-LBPRGKRZSA-N 2 0 328.403 3.289 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)CCCO2 ZINC000126481157 162304433 /nfs/dbraw/zinc/30/44/33/162304433.db2.gz HNFBDJITKBFSLO-HXUWFJFHSA-N 2 0 345.531 3.251 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151844082 162604967 /nfs/dbraw/zinc/60/49/67/162604967.db2.gz RCPYJKLOARYYRK-KRWDZBQOSA-N 2 0 334.504 3.076 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000151842473 162605477 /nfs/dbraw/zinc/60/54/77/162605477.db2.gz NZUHUPNXUSHHHW-IBGZPJMESA-N 2 0 336.907 3.401 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000343722646 164020317 /nfs/dbraw/zinc/02/03/17/164020317.db2.gz XHCVLIUNJMYYKR-GOSISDBHSA-N 2 0 345.531 3.074 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343979131 164076418 /nfs/dbraw/zinc/07/64/18/164076418.db2.gz IUUCFVXLGHTUEY-FOIQADDNSA-N 2 0 325.456 3.045 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000343980355 164076477 /nfs/dbraw/zinc/07/64/77/164076477.db2.gz IWDYQTCDEOMCKT-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000344000231 164080372 /nfs/dbraw/zinc/08/03/72/164080372.db2.gz WIFDFFUANJPWCE-HXUWFJFHSA-N 2 0 340.471 3.048 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000344234301 164132943 /nfs/dbraw/zinc/13/29/43/164132943.db2.gz OUURRPDKMQARFW-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345749509 164257752 /nfs/dbraw/zinc/25/77/52/164257752.db2.gz LDCZUUPFSNCSDR-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccc(NC(=O)CN2CC[C@H](Oc3ccncc3)C2)cc1Cl ZINC000346488607 164385439 /nfs/dbraw/zinc/38/54/39/164385439.db2.gz NVLWXBSDPMOUGU-INIZCTEOSA-N 2 0 345.830 3.135 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346563855 164398015 /nfs/dbraw/zinc/39/80/15/164398015.db2.gz RMYFUZMCMDUWRI-VQTJNVASSA-N 2 0 345.462 3.257 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000350915825 165082434 /nfs/dbraw/zinc/08/24/34/165082434.db2.gz BMICDOIOEUGYFP-UHFFFAOYSA-N 2 0 338.499 3.135 20 0 EGADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000350946206 165083835 /nfs/dbraw/zinc/08/38/35/165083835.db2.gz BGFRHGXXPWRGAH-DLBZAZTESA-N 2 0 345.531 3.088 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1)CC(F)(F)F ZINC000351327388 165097606 /nfs/dbraw/zinc/09/76/06/165097606.db2.gz KVJXCJIHUGJDPJ-JKSUJKDBSA-N 2 0 335.458 3.067 20 0 EGADRP CC(C)(C)OCCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000355284924 166154259 /nfs/dbraw/zinc/15/42/59/166154259.db2.gz VLONVUPWEASDLD-UHFFFAOYSA-N 2 0 340.552 3.406 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000360501581 167343540 /nfs/dbraw/zinc/34/35/40/167343540.db2.gz UPQORWKABPTJLZ-KRWDZBQOSA-N 3 0 345.531 3.295 20 0 EGADRP c1csc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)n1 ZINC000366637924 168126092 /nfs/dbraw/zinc/12/60/92/168126092.db2.gz ZJQCTFXIAQQOLG-SFHVURJKSA-N 2 0 348.560 3.499 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCSCc1ccccc1 ZINC000366833342 168146538 /nfs/dbraw/zinc/14/65/38/168146538.db2.gz KMCHPGXNCATZBL-QYZOEREBSA-N 2 0 334.529 3.103 20 0 EGADRP COCCCn1nccc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000367120787 168181513 /nfs/dbraw/zinc/18/15/13/168181513.db2.gz ILWFYPJGOZZXFI-RTBURBONSA-N 2 0 348.535 3.006 20 0 EGADRP Cn1cc(CN2CC[C@H](C[NH+](C)C)C2)c(-c2cc3ccccc3o2)n1 ZINC000367474331 168231838 /nfs/dbraw/zinc/23/18/38/168231838.db2.gz FDCDXMAPVYEEKU-OAHLLOKOSA-N 2 0 338.455 3.217 20 0 EGADRP OCCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000367614938 168249766 /nfs/dbraw/zinc/24/97/66/168249766.db2.gz JGRZOYBSPISWIS-QHAWAJNXSA-N 2 0 342.527 3.429 20 0 EGADRP C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367618398 168250681 /nfs/dbraw/zinc/25/06/81/168250681.db2.gz PIKVNCCYWSKJAG-AWEZNQCLSA-N 2 0 327.925 3.002 20 0 EGADRP c1c[nH]c([C@H](NCc2ccc(-n3ccnc3)nc2)C2CCCCC2)n1 ZINC000367629330 168252059 /nfs/dbraw/zinc/25/20/59/168252059.db2.gz BAJOJIXEWNQBKL-GOSISDBHSA-N 2 0 336.443 3.402 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)cc1 ZINC000367668658 168257071 /nfs/dbraw/zinc/25/70/71/168257071.db2.gz JDPGRISVHBHQND-IRLDBZIGSA-N 2 0 339.527 3.235 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000367765823 168268353 /nfs/dbraw/zinc/26/83/53/168268353.db2.gz SDKIUOOIECGASO-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262243495 287276432 /nfs/dbraw/zinc/27/64/32/287276432.db2.gz BZGGJRBUNWLRQW-HLIPFELVSA-N 2 0 343.515 3.195 20 0 EGADRP C[C@H]([NH2+]CCCNc1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000163807679 226018648 /nfs/dbraw/zinc/01/86/48/226018648.db2.gz PBQIWHKMELHJIR-KRWDZBQOSA-N 2 0 342.487 3.175 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165709056 226133220 /nfs/dbraw/zinc/13/32/20/226133220.db2.gz WQFQPQBIFBOBIA-WMLDXEAASA-N 2 0 340.558 3.126 20 0 EGADRP CCc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123451283 222280124 /nfs/dbraw/zinc/28/01/24/222280124.db2.gz PVADQIANZKJBMG-UHFFFAOYSA-N 2 0 331.504 3.241 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163852879 264920728 /nfs/dbraw/zinc/92/07/28/264920728.db2.gz GGCYWOMQTGSDTL-VQTJNVASSA-N 2 0 343.515 3.196 20 0 EGADRP CCC(CC)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000177865918 265283002 /nfs/dbraw/zinc/28/30/02/265283002.db2.gz BVKPUNMPLHGWPZ-UHFFFAOYSA-N 2 0 325.541 3.122 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H](C)C2 ZINC000180070220 265393526 /nfs/dbraw/zinc/39/35/26/265393526.db2.gz FDHBZFQZANASLI-JRGCBEDISA-N 2 0 329.532 3.090 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000236624944 266208983 /nfs/dbraw/zinc/20/89/83/266208983.db2.gz XIADDBNOCCNSSI-ZCNNSNEGSA-N 2 0 349.563 3.255 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)C2(C[NH3+])CCCC2)c2cccs2)CC1 ZINC000236650141 266210724 /nfs/dbraw/zinc/21/07/24/266210724.db2.gz ZMILSEPSVAATQJ-INIZCTEOSA-N 2 0 349.544 3.156 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)C(C)(C)C[NH3+])C1CCCCC1 ZINC000237150965 266225262 /nfs/dbraw/zinc/22/52/62/266225262.db2.gz JNZCRAMIMDMREX-UHFFFAOYSA-N 2 0 331.504 3.052 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275584398 267385841 /nfs/dbraw/zinc/38/58/41/267385841.db2.gz NWTUXWAYNKJHIC-VQTJNVASSA-N 2 0 330.516 3.223 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000275594931 267388323 /nfs/dbraw/zinc/38/83/23/267388323.db2.gz GCFQRQVALYWWHD-UHFFFAOYSA-N 2 0 346.519 3.034 20 0 EGADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278450962 268015923 /nfs/dbraw/zinc/01/59/23/268015923.db2.gz LNLLZFNGSGFSKG-CQSZACIVSA-N 2 0 333.451 3.007 20 0 EGADRP CCCOc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1OC ZINC000278468639 268020217 /nfs/dbraw/zinc/02/02/17/268020217.db2.gz GTRLMXYAOSSSBZ-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000358298276 275053571 /nfs/dbraw/zinc/05/35/71/275053571.db2.gz MFCVVZBFQWNBEB-IPMKNSEASA-N 2 0 334.891 3.295 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000110916583 275181863 /nfs/dbraw/zinc/18/18/63/275181863.db2.gz IRUHFCZSWDVTPJ-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)C[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000179679638 275203142 /nfs/dbraw/zinc/20/31/42/275203142.db2.gz WUXGCQOCZPGICX-UHFFFAOYSA-N 2 0 331.548 3.418 20 0 EGADRP COC(=O)c1ccc(F)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000182038573 275209531 /nfs/dbraw/zinc/20/95/31/275209531.db2.gz QHUNINOWRQXXOD-UHFFFAOYSA-N 2 0 336.451 3.166 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000279758563 275356844 /nfs/dbraw/zinc/35/68/44/275356844.db2.gz RDCYLCKTIXONHK-DENIHFKCSA-N 2 0 338.495 3.161 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282099704 275602728 /nfs/dbraw/zinc/60/27/28/275602728.db2.gz ZIAMJFQLCLKMCI-QGZVFWFLSA-N 2 0 349.478 3.365 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000282363033 275626084 /nfs/dbraw/zinc/62/60/84/275626084.db2.gz WGHRBAIPPRONGI-KRWDZBQOSA-N 2 0 326.488 3.291 20 0 EGADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000236765478 275702622 /nfs/dbraw/zinc/70/26/22/275702622.db2.gz JPRLDTFCUGBEFA-FQEVSTJZSA-N 2 0 339.483 3.015 20 0 EGADRP COc1cccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000284075644 275772289 /nfs/dbraw/zinc/77/22/89/275772289.db2.gz QRSWCVYPLIOLQY-UHFFFAOYSA-N 2 0 340.467 3.458 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000343566596 276008617 /nfs/dbraw/zinc/00/86/17/276008617.db2.gz IKIZGHBMIILHRI-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000286842731 276049219 /nfs/dbraw/zinc/04/92/19/276049219.db2.gz FEQDTMJLKUTRAK-AWEZNQCLSA-N 2 0 327.476 3.227 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000286938242 276060474 /nfs/dbraw/zinc/06/04/74/276060474.db2.gz LXJKZNZWYNIFDZ-IRXDYDNUSA-N 2 0 329.492 3.428 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111039783 276076671 /nfs/dbraw/zinc/07/66/71/276076671.db2.gz MHOBGIHEKBVKML-HXUWFJFHSA-N 2 0 345.531 3.452 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000345852077 276077953 /nfs/dbraw/zinc/07/79/53/276077953.db2.gz RFZFKZGVZIMOPY-IBGZPJMESA-N 2 0 331.504 3.108 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287287938 276104745 /nfs/dbraw/zinc/10/47/45/276104745.db2.gz BVAJYEALCJGTKY-ROUUACIJSA-N 2 0 341.503 3.286 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263293582 276110399 /nfs/dbraw/zinc/11/03/99/276110399.db2.gz VZYQLOORZUNHIY-ICSRJNTNSA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)CCOC)CC1 ZINC000127284583 276203165 /nfs/dbraw/zinc/20/31/65/276203165.db2.gz HDQLPMBRSAKJNA-CVEARBPZSA-N 2 0 337.483 3.043 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000289663994 276374506 /nfs/dbraw/zinc/37/45/06/276374506.db2.gz CYDINWQYXKNAFD-NRFANRHFSA-N 2 0 348.531 3.181 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000178140148 277150827 /nfs/dbraw/zinc/15/08/27/277150827.db2.gz KZEGYGASLJNBIE-MRXNPFEDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151845143 279303431 /nfs/dbraw/zinc/30/34/31/279303431.db2.gz KEZPOZQBFQELEC-MSOLQXFVSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249805415 289356990 /nfs/dbraw/zinc/35/69/90/289356990.db2.gz BDYJQOYQQALYMW-YYIAUSFCSA-N 2 0 349.544 3.263 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000151153949 290385031 /nfs/dbraw/zinc/38/50/31/290385031.db2.gz OGQKSEAGCNOQAI-PXNSSMCTSA-N 2 0 343.515 3.190 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000178034166 295236508 /nfs/dbraw/zinc/23/65/08/295236508.db2.gz BONBVDDFVZDSHT-XHSDSOJGSA-N 2 0 338.467 3.374 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414115277 309061834 /nfs/dbraw/zinc/06/18/34/309061834.db2.gz MSFONYXWZZGUFL-HHXXYDBFSA-N 2 0 335.923 3.202 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000150985713 307726707 /nfs/dbraw/zinc/72/67/07/307726707.db2.gz RPGSZGATTCCFCC-IRXDYDNUSA-N 2 0 339.524 3.096 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000155659826 307818140 /nfs/dbraw/zinc/81/81/40/307818140.db2.gz DYYRKEYJZNDELO-FXAWDEMLSA-N 2 0 335.511 3.008 20 0 EGADRP Cc1occc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000414364818 309075453 /nfs/dbraw/zinc/07/54/53/309075453.db2.gz JQGRCTKIASLGTR-UHFFFAOYSA-N 2 0 328.456 3.395 20 0 EGADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248859216 308013444 /nfs/dbraw/zinc/01/34/44/308013444.db2.gz FQTJVTYERRLDQV-WCIQWLHISA-N 2 0 330.516 3.284 20 0 EGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000248864623 308013722 /nfs/dbraw/zinc/01/37/22/308013722.db2.gz HJEWXOWKZKAKIC-AEFFLSMTSA-N 2 0 334.479 3.431 20 0 EGADRP COc1cccc2c1CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C2 ZINC000249015418 308016804 /nfs/dbraw/zinc/01/68/04/308016804.db2.gz KBAMJVNCNSDFOV-LNLFQRSKSA-N 2 0 346.515 3.032 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000249134582 308019903 /nfs/dbraw/zinc/01/99/03/308019903.db2.gz UDKBVJMWXADLCX-GIVPXCGWSA-N 2 0 329.532 3.013 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000293079374 308097269 /nfs/dbraw/zinc/09/72/69/308097269.db2.gz WCSHPNTWAZSHCS-GOSISDBHSA-N 2 0 335.879 3.086 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293639087 308148639 /nfs/dbraw/zinc/14/86/39/308148639.db2.gz GYDHMKKTFTZXHY-QGZVFWFLSA-N 2 0 331.504 3.305 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)s2)cn1 ZINC000293782447 308161251 /nfs/dbraw/zinc/16/12/51/308161251.db2.gz ZGVDAHSDSFMETJ-SFHVURJKSA-N 2 0 330.501 3.066 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1)C[NH+]1CCCC1 ZINC000293850117 308167716 /nfs/dbraw/zinc/16/77/16/308167716.db2.gz UDROXFJEXHIQQC-IAGOWNOFSA-N 2 0 345.487 3.416 20 0 EGADRP Cc1cnn(C)c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293882655 308170965 /nfs/dbraw/zinc/17/09/65/308170965.db2.gz JVIOIYJSFPDBKL-UHFFFAOYSA-N 2 0 338.499 3.217 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000294212996 308200590 /nfs/dbraw/zinc/20/05/90/308200590.db2.gz MSSIAISDEKDIGT-OAHLLOKOSA-N 2 0 339.439 3.172 20 0 EGADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921588 308271852 /nfs/dbraw/zinc/27/18/52/308271852.db2.gz FRIRQLNZOMNTID-VZHSDHNVSA-N 2 0 327.516 3.112 20 0 EGADRP CCN(C)C(=O)[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000294937812 308273782 /nfs/dbraw/zinc/27/37/82/308273782.db2.gz BZIVCNWGSSOQGW-HOJAQTOUSA-N 2 0 345.531 3.132 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccncc3C)CC2)cc1 ZINC000295171678 308299358 /nfs/dbraw/zinc/29/93/58/308299358.db2.gz LNQQRSPZSHNDDC-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccsc1 ZINC000296066635 308390231 /nfs/dbraw/zinc/39/02/31/308390231.db2.gz RXMVOWNKNFWAJF-QGZVFWFLSA-N 2 0 330.501 3.136 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC[NH2+]1 ZINC000414694920 309095848 /nfs/dbraw/zinc/09/58/48/309095848.db2.gz TYDVUUUBPLKMMJ-HOTGVXAUSA-N 2 0 344.478 3.468 20 0 EGADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695455 309095850 /nfs/dbraw/zinc/09/58/50/309095850.db2.gz GMCAOLDBMWQMOX-IEBWSBKVSA-N 2 0 330.520 3.008 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC[NH2+]1 ZINC000414694922 309095767 /nfs/dbraw/zinc/09/57/67/309095767.db2.gz TYDVUUUBPLKMMJ-JKSUJKDBSA-N 2 0 344.478 3.468 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414723503 309097553 /nfs/dbraw/zinc/09/75/53/309097553.db2.gz POZILJIGTZSCNM-SOLBZPMBSA-N 3 0 333.545 3.080 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)CC[NH2+]1 ZINC000414751036 309098764 /nfs/dbraw/zinc/09/87/64/309098764.db2.gz ZJCKGQSZVAKPMQ-KURKYZTESA-N 2 0 338.499 3.133 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC[NH2+]1 ZINC000414750725 309098869 /nfs/dbraw/zinc/09/88/69/309098869.db2.gz RKAIZXJGRPOZJA-BBHZHJQOSA-N 2 0 343.298 3.271 20 0 EGADRP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778818 309100423 /nfs/dbraw/zinc/10/04/23/309100423.db2.gz JIXRAVAMMAIZHT-KGLIPLIRSA-N 2 0 346.425 3.176 20 0 EGADRP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000414783429 309100778 /nfs/dbraw/zinc/10/07/78/309100778.db2.gz ZMQFAYANGIITRK-JSXRDJHFSA-N 2 0 328.500 3.325 20 0 EGADRP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414783609 309100784 /nfs/dbraw/zinc/10/07/84/309100784.db2.gz QDJCQQJWDXVZMY-VXGBXAGGSA-N 2 0 329.307 3.332 20 0 EGADRP FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783189 309100887 /nfs/dbraw/zinc/10/08/87/309100887.db2.gz PNUSGQNTZLNWJC-KBPBESRZSA-N 2 0 328.378 3.407 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414787728 309101097 /nfs/dbraw/zinc/10/10/97/309101097.db2.gz VXLDJJKJICNICF-LSDHHAIUSA-N 2 0 340.414 3.118 20 0 EGADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414788920 309101318 /nfs/dbraw/zinc/10/13/18/309101318.db2.gz XNAVEFOMFSWTMU-KGLIPLIRSA-N 2 0 328.378 3.249 20 0 EGADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414788925 309101346 /nfs/dbraw/zinc/10/13/46/309101346.db2.gz XNAVEFOMFSWTMU-UONOGXRCSA-N 2 0 328.378 3.249 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414789206 309101456 /nfs/dbraw/zinc/10/14/56/309101456.db2.gz XZLMQOSKSWMKFZ-MSOLQXFVSA-N 2 0 332.488 3.053 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414826368 309104067 /nfs/dbraw/zinc/10/40/67/309104067.db2.gz VQHDDXRYUITKJE-QAPCUYQASA-N 2 0 325.456 3.235 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414830943 309104224 /nfs/dbraw/zinc/10/42/24/309104224.db2.gz CRYOFNMEJXMARL-LSDHHAIUSA-N 2 0 337.895 3.345 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414841860 309105090 /nfs/dbraw/zinc/10/50/90/309105090.db2.gz ZJPFHQPOFPLJGK-LJQANCHMSA-N 2 0 340.467 3.363 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333347763 308857413 /nfs/dbraw/zinc/85/74/13/308857413.db2.gz QXCQAWDNXGIDMU-UHFFFAOYSA-N 2 0 342.487 3.208 20 0 EGADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411489691 308941242 /nfs/dbraw/zinc/94/12/42/308941242.db2.gz MYWOKHHTCXTOKT-QRQLOZEOSA-N 2 0 337.552 3.026 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000411512166 308942026 /nfs/dbraw/zinc/94/20/26/308942026.db2.gz ANBYJGQJRVCIDH-IAGOWNOFSA-N 2 0 337.552 3.170 20 0 EGADRP OCC1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCSCC1 ZINC000411825277 308953830 /nfs/dbraw/zinc/95/38/30/308953830.db2.gz RKUKYOAFGZCFOO-UHFFFAOYSA-N 2 0 334.529 3.020 20 0 EGADRP C[NH2+]CCC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000414857522 309105976 /nfs/dbraw/zinc/10/59/76/309105976.db2.gz DQXVUVYJNWYRKT-LBPRGKRZSA-N 2 0 344.299 3.258 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897638 309108003 /nfs/dbraw/zinc/10/80/03/309108003.db2.gz FDPBXCCSTMPKJD-UHFFFAOYSA-N 2 0 332.879 3.313 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)CC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000414899483 309108130 /nfs/dbraw/zinc/10/81/30/309108130.db2.gz UUQWUUVBLCCLCK-HNNXBMFYSA-N 2 0 344.455 3.110 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414900259 309108203 /nfs/dbraw/zinc/10/82/03/309108203.db2.gz IDOCNZHKNFIGEH-ZDUSSCGKSA-N 2 0 325.294 3.359 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414962585 309111852 /nfs/dbraw/zinc/11/18/52/309111852.db2.gz JWLMMYUHDJKDBV-IBGZPJMESA-N 2 0 325.456 3.379 20 0 EGADRP CC(C)(CCC[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414969833 309112189 /nfs/dbraw/zinc/11/21/89/309112189.db2.gz UFWPSHJGKAIBBG-UHFFFAOYSA-N 2 0 346.519 3.354 20 0 EGADRP COCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)CC[NH2+]CC1 ZINC000414970060 309112254 /nfs/dbraw/zinc/11/22/54/309112254.db2.gz HEFODZAMMTXXLP-UHFFFAOYSA-N 2 0 347.286 3.108 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415000659 309113586 /nfs/dbraw/zinc/11/35/86/309113586.db2.gz BMGZWKKHTYPABB-ZWKOTPCHSA-N 2 0 332.488 3.352 20 0 EGADRP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415010797 309114108 /nfs/dbraw/zinc/11/41/08/309114108.db2.gz PXDASBDHJKJOSN-DZGCQCFKSA-N 2 0 329.271 3.480 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000415011978 309114219 /nfs/dbraw/zinc/11/42/19/309114219.db2.gz WSPHFTYBFPAZRS-ZNMIVQPWSA-N 2 0 337.895 3.473 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415019513 309114720 /nfs/dbraw/zinc/11/47/20/309114720.db2.gz DZOXSOJPFKEGEI-QAQDUYKDSA-N 2 0 344.478 3.483 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)s2)cn1 ZINC000415032817 309115443 /nfs/dbraw/zinc/11/54/43/309115443.db2.gz AXEMTXOFJWUFBI-RHSMWYFYSA-N 2 0 330.501 3.113 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415045111 309116211 /nfs/dbraw/zinc/11/62/11/309116211.db2.gz TVJLAVBHLKRWGI-IEBWSBKVSA-N 2 0 340.467 3.491 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000415076439 309118471 /nfs/dbraw/zinc/11/84/71/309118471.db2.gz CIFFBFIWOJXAGO-XLIONFOSSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC000415079303 309118807 /nfs/dbraw/zinc/11/88/07/309118807.db2.gz JVIHDWROOXPZBS-HZPDHXFCSA-N 2 0 336.907 3.366 20 0 EGADRP C[C@H]1C[C@@H](C[NH2+]CCCc2nc(-c3ccncc3)cs2)CC[NH2+]1 ZINC000415085114 309119224 /nfs/dbraw/zinc/11/92/24/309119224.db2.gz QHFYNDPVCRUQHX-GJZGRUSLSA-N 2 0 330.501 3.115 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000415086608 309119412 /nfs/dbraw/zinc/11/94/12/309119412.db2.gz JSTKCJBLCVAPCD-LLVKDONJSA-N 2 0 329.307 3.271 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC[NH2+]1 ZINC000415115786 309121311 /nfs/dbraw/zinc/12/13/11/309121311.db2.gz USZVWOWEGOYNLF-CABCVRRESA-N 2 0 329.419 3.491 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+]CC2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000415113917 309121336 /nfs/dbraw/zinc/12/13/36/309121336.db2.gz SYBPHYRHBMJVRC-KGLIPLIRSA-N 2 0 337.305 3.458 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000415118355 309121498 /nfs/dbraw/zinc/12/14/98/309121498.db2.gz DBGGWBLMUVSESK-IAGOWNOFSA-N 2 0 342.405 3.424 20 0 EGADRP C[C@H]1CCCC[C@@H]1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415128073 309122440 /nfs/dbraw/zinc/12/24/40/309122440.db2.gz JMVNLEPHKAZXKJ-AZUAARDMSA-N 2 0 329.532 3.396 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C1 ZINC000415129365 309122609 /nfs/dbraw/zinc/12/26/09/309122609.db2.gz UMZPEEKVUURDJY-DOTOQJQBSA-N 2 0 340.414 3.006 20 0 EGADRP Cc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000415139912 309123420 /nfs/dbraw/zinc/12/34/20/309123420.db2.gz XSCHYKGULXNMEL-UHFFFAOYSA-N 2 0 337.511 3.387 20 0 EGADRP CCc1cccc(Cl)c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415145084 309123462 /nfs/dbraw/zinc/12/34/62/309123462.db2.gz WNEQGFVGBGDUSX-AEFFLSMTSA-N 2 0 334.891 3.103 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000415903469 309147216 /nfs/dbraw/zinc/14/72/16/309147216.db2.gz QIAJZUCHOGIOKB-UHFFFAOYSA-N 2 0 340.471 3.002 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000415911150 309147940 /nfs/dbraw/zinc/14/79/40/309147940.db2.gz XHDIRJLFRLVKHA-UHFFFAOYSA-N 2 0 332.492 3.230 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000415917909 309148589 /nfs/dbraw/zinc/14/85/89/309148589.db2.gz JYJIKWAZMMQQBO-HZPDHXFCSA-N 2 0 346.519 3.284 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415923968 309148948 /nfs/dbraw/zinc/14/89/48/309148948.db2.gz XIWMHVOLVGAAEK-GOSISDBHSA-N 2 0 332.492 3.182 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000415923313 309149000 /nfs/dbraw/zinc/14/90/00/309149000.db2.gz VYXXXQQJYIAQND-UHFFFAOYSA-N 2 0 344.503 3.136 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000415932140 309149512 /nfs/dbraw/zinc/14/95/12/309149512.db2.gz MIQHDBLHHWEWBR-MRXNPFEDSA-N 2 0 344.503 3.134 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000415935343 309149799 /nfs/dbraw/zinc/14/97/99/309149799.db2.gz RJEJCGUNGDCFDT-INIZCTEOSA-N 2 0 346.500 3.282 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415966556 309151774 /nfs/dbraw/zinc/15/17/74/309151774.db2.gz ADNGIRNOFPCIQQ-HNNXBMFYSA-N 2 0 332.492 3.167 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415972232 309152078 /nfs/dbraw/zinc/15/20/78/309152078.db2.gz HRKDVDAALKPYKQ-OAHLLOKOSA-N 2 0 340.471 3.396 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000415975820 309152363 /nfs/dbraw/zinc/15/23/63/309152363.db2.gz UVSWJASQOXCSPC-IBGZPJMESA-N 2 0 340.471 3.139 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988494 309153273 /nfs/dbraw/zinc/15/32/73/309153273.db2.gz CXCGVRSBQCKLDG-SFHVURJKSA-N 2 0 330.476 3.066 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000415995341 309153719 /nfs/dbraw/zinc/15/37/19/309153719.db2.gz KHJRNIYYZNHOQJ-KRWDZBQOSA-N 2 0 342.443 3.087 20 0 EGADRP C[NH+](C)Cc1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416128461 309159881 /nfs/dbraw/zinc/15/98/81/309159881.db2.gz UQXHRAQTULLBEO-FQEVSTJZSA-N 2 0 339.483 3.057 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416215880 309164178 /nfs/dbraw/zinc/16/41/78/309164178.db2.gz PHWVJYLYOIPYHO-FQEVSTJZSA-N 2 0 339.483 3.422 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H](C)Cc2ccccc2OC)cc1 ZINC000420299842 309280088 /nfs/dbraw/zinc/28/00/88/309280088.db2.gz JOEONXUVJCULCU-APWZRJJASA-N 2 0 342.483 3.309 20 0 EGADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302569 309280403 /nfs/dbraw/zinc/28/04/03/309280403.db2.gz MRDPGBOKILMBAC-HNNXBMFYSA-N 2 0 337.895 3.380 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420306869 309280702 /nfs/dbraw/zinc/28/07/02/309280702.db2.gz BCRXQQLYXKUWRD-SVFBPWRDSA-N 2 0 329.532 3.361 20 0 EGADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CCC[NH2+]C1 ZINC000420317159 309281476 /nfs/dbraw/zinc/28/14/76/309281476.db2.gz NLNMALVUVWVBJF-MRXNPFEDSA-N 2 0 344.478 3.470 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325299 309282256 /nfs/dbraw/zinc/28/22/56/309282256.db2.gz BKXZBEIYMKRASF-ZACQAIPSSA-N 2 0 329.488 3.068 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000420330769 309282643 /nfs/dbraw/zinc/28/26/43/309282643.db2.gz BRQKLIKDVXZKLD-VQIMIIECSA-N 2 0 329.488 3.094 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340654 309283208 /nfs/dbraw/zinc/28/32/08/309283208.db2.gz NBKQFLYEIDBEJU-SJORKVTESA-N 2 0 329.488 3.070 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000420358469 309284123 /nfs/dbraw/zinc/28/41/23/309284123.db2.gz IVIUIQVYMXXNEY-ZDUSSCGKSA-N 2 0 344.286 3.300 20 0 EGADRP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420370174 309284806 /nfs/dbraw/zinc/28/48/06/309284806.db2.gz YPKNMCQQRJTJGH-PCCBWWKXSA-N 2 0 344.474 3.386 20 0 EGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420370886 309284862 /nfs/dbraw/zinc/28/48/62/309284862.db2.gz CZGITFHBGQHMTO-KXBFYZLASA-N 2 0 341.503 3.432 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](CCc3ccc(C)cc3)CC2)CC1 ZINC000420984713 309305975 /nfs/dbraw/zinc/30/59/75/309305975.db2.gz UMEWFRPTAGSKOZ-UHFFFAOYSA-N 2 0 329.532 3.030 20 0 EGADRP [NH3+]CC1CCC([NH2+]CCc2cc(Br)ccc2F)CC1 ZINC000422709078 309364004 /nfs/dbraw/zinc/36/40/04/309364004.db2.gz YPQTYEFXNBHETM-UHFFFAOYSA-N 2 0 329.257 3.238 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422708889 309364052 /nfs/dbraw/zinc/36/40/52/309364052.db2.gz CHTJLPUCOSBJQC-PWRODBHTSA-N 3 0 345.531 3.027 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCN(C)c1ccccc1F ZINC000422722057 309364982 /nfs/dbraw/zinc/36/49/82/309364982.db2.gz WWZNEXJMWWHXPD-CQSZACIVSA-N 2 0 330.451 3.165 20 0 EGADRP CN(C)c1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422722942 309365135 /nfs/dbraw/zinc/36/51/35/309365135.db2.gz ZDMGKIDKQGWGDS-PZJWPPBQSA-N 2 0 337.467 3.098 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)c2)CC1 ZINC000422737438 309366083 /nfs/dbraw/zinc/36/60/83/309366083.db2.gz IFMUTILEQDYRCL-GHTZIAJQSA-N 3 0 329.532 3.396 20 0 EGADRP Brc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422775943 309367690 /nfs/dbraw/zinc/36/76/90/309367690.db2.gz CPYSXHCFJXMYLK-PBWFPOADSA-N 2 0 335.289 3.353 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422788252 309368203 /nfs/dbraw/zinc/36/82/03/309368203.db2.gz QWDXJINGQZZVNW-BEFAXECRSA-N 2 0 335.923 3.282 20 0 EGADRP Fc1cccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422792291 309368451 /nfs/dbraw/zinc/36/84/51/309368451.db2.gz WCUKXVLTMYSJJK-QUCCMNQESA-N 2 0 326.415 3.214 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCC(C[NH3+])CC3)CC2)cc1 ZINC000422791968 309368490 /nfs/dbraw/zinc/36/84/90/309368490.db2.gz YXBKKDYCPXUTSD-UHFFFAOYSA-N 3 0 345.531 3.014 20 0 EGADRP CCCC[NH+]1CCC(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422794731 309368634 /nfs/dbraw/zinc/36/86/34/309368634.db2.gz ZEVLZOFXYDTPDC-CTNGQTDRSA-N 2 0 343.515 3.096 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422797795 309368943 /nfs/dbraw/zinc/36/89/43/309368943.db2.gz OMVAZYPCQSTPOK-VAMGGRTRSA-N 2 0 330.516 3.491 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000422799842 309369058 /nfs/dbraw/zinc/36/90/58/309369058.db2.gz YVIWUVCVVKXPMR-IFXJQAMLSA-N 2 0 325.456 3.260 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000422798293 309369165 /nfs/dbraw/zinc/36/91/65/309369165.db2.gz QNIQDCNZNMXKIC-WWGRRREGSA-N 2 0 341.293 3.324 20 0 EGADRP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422820958 309370179 /nfs/dbraw/zinc/37/01/79/309370179.db2.gz TUOATIHSAOHDIZ-GVDBMIGSSA-N 2 0 347.469 3.161 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1OCC(F)(F)F ZINC000422823954 309370331 /nfs/dbraw/zinc/37/03/31/309370331.db2.gz FPNCNXICRZKNCD-OCCSQVGLSA-N 2 0 346.393 3.114 20 0 EGADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000422823862 309370365 /nfs/dbraw/zinc/37/03/65/309370365.db2.gz MKQPAOFQQSHFPV-ZWKOTPCHSA-N 2 0 338.451 3.470 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422829978 309370632 /nfs/dbraw/zinc/37/06/32/309370632.db2.gz QGTQZWJMQGGAOF-RTBURBONSA-N 2 0 334.467 3.302 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422828882 309370788 /nfs/dbraw/zinc/37/07/88/309370788.db2.gz UCZADZNJKKYJTO-DYESRHJHSA-N 2 0 329.532 3.332 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842331 309371496 /nfs/dbraw/zinc/37/14/96/309371496.db2.gz YCOOFRKPCLPHQZ-WMLDXEAASA-N 2 0 344.890 3.432 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422848092 309371823 /nfs/dbraw/zinc/37/18/23/309371823.db2.gz SHIYSUVVEWUYRM-IAOVAPTHSA-N 2 0 339.886 3.333 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2)C1 ZINC000422859340 309372462 /nfs/dbraw/zinc/37/24/62/309372462.db2.gz JUXDESFOICQSHZ-DBXWQHBBSA-N 3 0 329.532 3.396 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422862693 309372496 /nfs/dbraw/zinc/37/24/96/309372496.db2.gz KRKHIQOAUVMNDW-VAMGGRTRSA-N 2 0 346.515 3.421 20 0 EGADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422868728 309372966 /nfs/dbraw/zinc/37/29/66/309372966.db2.gz VMDMHPVQEROFNU-XUVXKRRUSA-N 2 0 346.515 3.421 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422876339 309373402 /nfs/dbraw/zinc/37/34/02/309373402.db2.gz GEZWITXVVGYZJU-DQLDELGASA-N 2 0 340.467 3.108 20 0 EGADRP CCOc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422876960 309373476 /nfs/dbraw/zinc/37/34/76/309373476.db2.gz GZJAVQUDORSAFO-FPOVZHCZSA-N 2 0 338.451 3.431 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422890291 309374512 /nfs/dbraw/zinc/37/45/12/309374512.db2.gz IBHWDUJHXHEUQP-IEBWSBKVSA-N 2 0 333.520 3.027 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422899579 309375092 /nfs/dbraw/zinc/37/50/92/309375092.db2.gz HRGCNCDSLXQONE-MJGOQNOKSA-N 2 0 330.378 3.310 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1)C1C[NH2+]C1 ZINC000422913669 309376081 /nfs/dbraw/zinc/37/60/81/309376081.db2.gz ZANKLFNYSQQQFU-KRWDZBQOSA-N 2 0 346.478 3.296 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422926649 309376394 /nfs/dbraw/zinc/37/63/94/309376394.db2.gz XFSRKEIVNNUDPP-LPWQTFTOSA-N 2 0 331.504 3.225 20 0 EGADRP Cc1cccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422926145 309376443 /nfs/dbraw/zinc/37/64/43/309376443.db2.gz COASRHFUPMNTSP-TZIWHRDSSA-N 2 0 338.451 3.219 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422939710 309377258 /nfs/dbraw/zinc/37/72/58/309377258.db2.gz IFCSXAXWDCYWJG-CQSZACIVSA-N 2 0 332.517 3.372 20 0 EGADRP CC[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@@H]1CCC[NH2+]1 ZINC000422957182 309378151 /nfs/dbraw/zinc/37/81/51/309378151.db2.gz SIRPQHMWFNQZKZ-HOTGVXAUSA-N 2 0 330.501 3.258 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957864 309378204 /nfs/dbraw/zinc/37/82/04/309378204.db2.gz VNOFMFLKONNUON-CVEARBPZSA-N 2 0 330.501 3.245 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCc2ccccc21 ZINC000423014324 309380984 /nfs/dbraw/zinc/38/09/84/309380984.db2.gz HWKUGQIQPNKKNN-OYNPSCLESA-N 2 0 328.500 3.027 20 0 EGADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022486 309381604 /nfs/dbraw/zinc/38/16/04/309381604.db2.gz HTBKJNOQPHJDDH-WPPQDWHVSA-N 2 0 339.886 3.202 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423027027 309381704 /nfs/dbraw/zinc/38/17/04/309381704.db2.gz CROAVEQZYUJPFO-VXGBXAGGSA-N 2 0 329.282 3.106 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H](C)CCC[NH3+] ZINC000423028321 309381764 /nfs/dbraw/zinc/38/17/64/309381764.db2.gz FZTITDKUFUZKCV-LBPRGKRZSA-N 2 0 329.282 3.107 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029208 309381883 /nfs/dbraw/zinc/38/18/83/309381883.db2.gz HRYRLGCHVQRKEO-ABAIWWIYSA-N 2 0 336.277 3.190 20 0 EGADRP Brc1ccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1 ZINC000423036319 309382177 /nfs/dbraw/zinc/38/21/77/309382177.db2.gz TXXLUTBSYCBOCL-YIONKMFJSA-N 2 0 348.288 3.346 20 0 EGADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@@H]1CC[NH2+]C1 ZINC000423035498 309382202 /nfs/dbraw/zinc/38/22/02/309382202.db2.gz RNIKZMJCFJBZKW-NWDGAFQWSA-N 2 0 336.277 3.061 20 0 EGADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@H]1CCC[NH2+]1 ZINC000423038721 309382469 /nfs/dbraw/zinc/38/24/69/309382469.db2.gz ZEWQTRQCWBIPGJ-XHDPSFHLSA-N 2 0 336.277 3.203 20 0 EGADRP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423043771 309382515 /nfs/dbraw/zinc/38/25/15/309382515.db2.gz PXERLRSZFJUPEX-GWMXKSKGSA-N 2 0 332.414 3.230 20 0 EGADRP [NH3+]C1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000423042952 309382671 /nfs/dbraw/zinc/38/26/71/309382671.db2.gz MRSBIHJZXIQZIF-BPCQOVAHSA-N 2 0 328.287 3.432 20 0 EGADRP C[C@@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C1C[NH2+]C1 ZINC000423044518 309382786 /nfs/dbraw/zinc/38/27/86/309382786.db2.gz ASLPFSJPHLYREC-RFAUZJTJSA-N 2 0 327.241 3.237 20 0 EGADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000423055280 309383361 /nfs/dbraw/zinc/38/33/61/309383361.db2.gz WCMZGWLQAVAYQL-LYSIVYOWSA-N 2 0 344.499 3.424 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423081096 309384945 /nfs/dbraw/zinc/38/49/45/309384945.db2.gz BDNGDQGTUXTGDC-CZTZKLFOSA-N 2 0 337.511 3.451 20 0 EGADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC(c2ccccc2)C1 ZINC000423088910 309385314 /nfs/dbraw/zinc/38/53/14/309385314.db2.gz RGHFLVZMDFISPN-MPRHMJKFSA-N 2 0 342.527 3.443 20 0 EGADRP [NH3+]CC1CCC([NH2+]Cc2ccncc2OCc2ccccc2)CC1 ZINC000423104773 309386084 /nfs/dbraw/zinc/38/60/84/309386084.db2.gz MQRHCEMYNJWTIO-UHFFFAOYSA-N 2 0 325.456 3.268 20 0 EGADRP C[C@H]([NH2+]CC1(c2ccc(Br)s2)CCC1)C1C[NH2+]C1 ZINC000423111822 309386395 /nfs/dbraw/zinc/38/63/95/309386395.db2.gz WTDDJJWIVLCQOD-JTQLQIEISA-N 2 0 329.307 3.130 20 0 EGADRP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423127979 309387140 /nfs/dbraw/zinc/38/71/40/309387140.db2.gz CREOETJZRUBKAR-ARFHVFGLSA-N 2 0 327.394 3.153 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423144415 309388164 /nfs/dbraw/zinc/38/81/64/309388164.db2.gz YWLKJHKBDULQLA-GOEBONIOSA-N 2 0 342.462 3.165 20 0 EGADRP c1cncc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CCO2)c1 ZINC000423154346 309388511 /nfs/dbraw/zinc/38/85/11/309388511.db2.gz OSPNVCAELCMRDC-CXQPBAHBSA-N 2 0 329.488 3.202 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000423174282 309389130 /nfs/dbraw/zinc/38/91/30/309389130.db2.gz AAXGXXRFCQZPJL-NRFANRHFSA-N 2 0 341.499 3.184 20 0 EGADRP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423176394 309389187 /nfs/dbraw/zinc/38/91/87/309389187.db2.gz CAHNRJVCRZMINS-CQSZACIVSA-N 2 0 329.669 3.431 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH2+]CC1)CCCS2 ZINC000423179328 309389253 /nfs/dbraw/zinc/38/92/53/309389253.db2.gz LYPPWJLIRUKHIH-MRXNPFEDSA-N 2 0 339.936 3.152 20 0 EGADRP [NH3+]CCN[C@@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000423192009 309389884 /nfs/dbraw/zinc/38/98/84/309389884.db2.gz UZZBBOYIPWGRKK-INIZCTEOSA-N 2 0 337.236 3.420 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423252354 309392363 /nfs/dbraw/zinc/39/23/63/309392363.db2.gz UAHNKKOMJJCXSZ-HIFRSBDPSA-N 2 0 332.879 3.484 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000423249775 309392422 /nfs/dbraw/zinc/39/24/22/309392422.db2.gz UBLQKDJCEBJHNP-HBGVWJBISA-N 2 0 325.500 3.358 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254869 309392470 /nfs/dbraw/zinc/39/24/70/309392470.db2.gz ZTXUGXSLJBHUAG-HZMBPMFUSA-N 2 0 327.241 3.165 20 0 EGADRP Brc1cc2c(s1)CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256230 309392473 /nfs/dbraw/zinc/39/24/73/309392473.db2.gz BNNKRCRLAKIUHQ-ZYHUDNBSSA-N 2 0 329.307 3.477 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000423257563 309392697 /nfs/dbraw/zinc/39/26/97/309392697.db2.gz KAHYTEFRASRGBQ-STQMWFEESA-N 2 0 341.293 3.498 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423282830 309393902 /nfs/dbraw/zinc/39/39/02/309393902.db2.gz WMCXBRZZPZHRAI-BHYGNILZSA-N 2 0 337.305 3.414 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423286102 309394114 /nfs/dbraw/zinc/39/41/14/309394114.db2.gz ZOSPUWWNXWFYCC-YXJHDRRASA-N 2 0 332.492 3.385 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423313597 309394786 /nfs/dbraw/zinc/39/47/86/309394786.db2.gz WZLHLPRYBOSWFM-WBVHZDCISA-N 2 0 345.512 3.193 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000423330899 309395635 /nfs/dbraw/zinc/39/56/35/309395635.db2.gz NWXXPSGQSVFMQO-BRWVUGGUSA-N 2 0 331.504 3.194 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000423335137 309395788 /nfs/dbraw/zinc/39/57/88/309395788.db2.gz PNWFSAGYLGUJMP-UWVAXJGDSA-N 2 0 345.531 3.154 20 0 EGADRP CCCN(C(=O)CC1(C[NH3+])CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423333347 309395850 /nfs/dbraw/zinc/39/58/50/309395850.db2.gz RLRLFRFTNYRNTN-IBGZPJMESA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423339410 309395909 /nfs/dbraw/zinc/39/59/09/309395909.db2.gz ISJOKXLVHSJQTE-LLVKDONJSA-N 2 0 327.241 3.029 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC000423348471 309396403 /nfs/dbraw/zinc/39/64/03/309396403.db2.gz TXDSRVMPTXZBNW-QWFCFKBJSA-N 2 0 330.472 3.148 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000423358412 309396788 /nfs/dbraw/zinc/39/67/88/309396788.db2.gz NEEGSYAJLQDQDS-UXHICEINSA-N 2 0 349.563 3.255 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000423371157 309397660 /nfs/dbraw/zinc/39/76/60/309397660.db2.gz HOFDLOMEVOUHOH-MSOLQXFVSA-N 2 0 343.515 3.435 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(I)cc1 ZINC000423382890 309398008 /nfs/dbraw/zinc/39/80/08/309398008.db2.gz JZTVNIXHIPGBJB-GDLCADMTSA-N 2 0 344.240 3.212 20 0 EGADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000423396862 309398636 /nfs/dbraw/zinc/39/86/36/309398636.db2.gz BOFAJLGKELVIFW-LJQANCHMSA-N 2 0 347.503 3.253 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCCC1)c1ccccc1 ZINC000423407008 309398921 /nfs/dbraw/zinc/39/89/21/309398921.db2.gz LMJFVLCLHHWWBJ-YQVWRLOYSA-N 2 0 343.515 3.154 20 0 EGADRP COCC1(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC[NH2+]CC1 ZINC000423409844 309399098 /nfs/dbraw/zinc/39/90/98/309399098.db2.gz QTUOIHAYRFFNCM-SFHVURJKSA-N 2 0 327.472 3.151 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423419926 309399761 /nfs/dbraw/zinc/39/97/61/309399761.db2.gz BFQGXVCCKOQJEA-STQMWFEESA-N 2 0 335.883 3.397 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423456776 309401092 /nfs/dbraw/zinc/40/10/92/309401092.db2.gz HCGMYNFVWWGBET-ZOBUZTSGSA-N 2 0 332.492 3.385 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000423461995 309401120 /nfs/dbraw/zinc/40/11/20/309401120.db2.gz DDVWWOKRIWOIEZ-NHCYSSNCSA-N 2 0 330.245 3.151 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000423536991 309405483 /nfs/dbraw/zinc/40/54/83/309405483.db2.gz BNRHVSMNKDHKEU-AAJLLMFJSA-N 2 0 342.462 3.359 20 0 EGADRP C[C@H]1CCC[C@H](C)C1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423543291 309405778 /nfs/dbraw/zinc/40/57/78/309405778.db2.gz BUGIADSUPPVYAF-ROUUACIJSA-N 2 0 329.532 3.394 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)ccc1OC(F)F ZINC000423567114 309406631 /nfs/dbraw/zinc/40/66/31/309406631.db2.gz UUHKPEXLMNBQOY-GFCCVEGCSA-N 2 0 326.387 3.257 20 0 EGADRP [NH3+]Cc1cc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc(C(F)(F)F)c1 ZINC000423619845 309408196 /nfs/dbraw/zinc/40/81/96/309408196.db2.gz IUDKVWFHAGWGBB-OAHLLOKOSA-N 2 0 343.393 3.400 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000423790390 309412728 /nfs/dbraw/zinc/41/27/28/309412728.db2.gz GOJNYNYAKVBQKH-FQEVSTJZSA-N 2 0 343.515 3.109 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425928266 309494791 /nfs/dbraw/zinc/49/47/91/309494791.db2.gz ROJRTCNTTIJYNZ-DLBZAZTESA-N 2 0 329.488 3.418 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000430610970 309612959 /nfs/dbraw/zinc/61/29/59/309612959.db2.gz MVHJISISEKTSHR-UHFFFAOYSA-N 2 0 334.261 3.168 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000430708220 309615522 /nfs/dbraw/zinc/61/55/22/309615522.db2.gz RYWPUBGYMNVSNW-YVWKXTFCSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430960332 309622287 /nfs/dbraw/zinc/62/22/87/309622287.db2.gz IJRMINBTEIYUOL-SJORKVTESA-N 2 0 345.531 3.122 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000432937873 309673705 /nfs/dbraw/zinc/67/37/05/309673705.db2.gz JAZPCNKWQDAFQA-CQSZACIVSA-N 2 0 336.476 3.489 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000433116691 309679217 /nfs/dbraw/zinc/67/92/17/309679217.db2.gz MQRQOVIQBPLTNF-PMACEKPBSA-N 2 0 339.483 3.099 20 0 EGADRP CCCCOc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000433138791 309679792 /nfs/dbraw/zinc/67/97/92/309679792.db2.gz UHSFECDTXXVBRX-UHFFFAOYSA-N 2 0 347.503 3.316 20 0 EGADRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)(C)c1ccccc1 ZINC000433172213 309680716 /nfs/dbraw/zinc/68/07/16/309680716.db2.gz GUFCYKVNLNMXHR-IBGZPJMESA-N 2 0 345.531 3.062 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000435374260 309730071 /nfs/dbraw/zinc/73/00/71/309730071.db2.gz PRSSTWCPHDTOBB-KRWDZBQOSA-N 2 0 338.879 3.069 20 0 EGADRP CCc1ccccc1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000444644181 309924133 /nfs/dbraw/zinc/92/41/33/309924133.db2.gz UZLDEXJSQGNRIA-UHFFFAOYSA-N 2 0 330.516 3.368 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449022996 310030113 /nfs/dbraw/zinc/03/01/13/310030113.db2.gz MJSDDULLJYNILU-IBGZPJMESA-N 2 0 327.472 3.035 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449121659 310038672 /nfs/dbraw/zinc/03/86/72/310038672.db2.gz INUXOACJDQVPJM-MJGOQNOKSA-N 2 0 336.907 3.270 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000449127779 310038972 /nfs/dbraw/zinc/03/89/72/310038972.db2.gz XKTXJRBXOUHSNX-YVWKXTFCSA-N 2 0 349.950 3.277 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000449148243 310040263 /nfs/dbraw/zinc/04/02/63/310040263.db2.gz JHMPKWFAQJACPA-FUHWJXTLSA-N 2 0 330.472 3.190 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449236749 310046674 /nfs/dbraw/zinc/04/66/74/310046674.db2.gz LEMWZBKZLFQQLI-AWEZNQCLSA-N 2 0 330.394 3.039 20 0 EGADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449449599 310062774 /nfs/dbraw/zinc/06/27/74/310062774.db2.gz MANGONUAQPXTFU-GSEOLPGOSA-N 2 0 330.516 3.426 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000449491703 310066416 /nfs/dbraw/zinc/06/64/16/310066416.db2.gz HRWBKVZJAMLIFV-QGZVFWFLSA-N 2 0 337.458 3.354 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000449753505 310084540 /nfs/dbraw/zinc/08/45/40/310084540.db2.gz OXHBFHGQPGEPHL-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C(C)=O)cc2)CC1 ZINC000450456631 310123799 /nfs/dbraw/zinc/12/37/99/310123799.db2.gz YAGDDBFKWQPEFA-UHFFFAOYSA-N 2 0 332.488 3.212 20 0 EGADRP CC(C)N1CCCC[C@H]1C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833623 310144915 /nfs/dbraw/zinc/14/49/15/310144915.db2.gz KLZSVKBCBYHYLQ-LEWJYISDSA-N 2 0 330.516 3.319 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000450940657 310150983 /nfs/dbraw/zinc/15/09/83/310150983.db2.gz MCCBGNCWXTUJSM-SFTDATJTSA-N 2 0 329.532 3.108 20 0 EGADRP c1nc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000451044969 310157449 /nfs/dbraw/zinc/15/74/49/310157449.db2.gz CHUDNQDZZRLMAA-ROUUACIJSA-N 2 0 327.497 3.140 20 0 EGADRP CCO[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451522006 310182528 /nfs/dbraw/zinc/18/25/28/310182528.db2.gz ALLZICXHAXKQMF-CTZAXXLQSA-N 2 0 338.536 3.036 20 0 EGADRP COCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453095496 310257574 /nfs/dbraw/zinc/25/75/74/310257574.db2.gz SQDWEIFCTHJONS-NJDAHSKKSA-N 2 0 346.515 3.072 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000453109406 310258539 /nfs/dbraw/zinc/25/85/39/310258539.db2.gz PKXBMAWTDMATFR-NZSAHSFTSA-N 2 0 342.487 3.188 20 0 EGADRP CC(C)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453119220 310259307 /nfs/dbraw/zinc/25/93/07/310259307.db2.gz MBINUWVITYWPCC-ZCNNSNEGSA-N 2 0 330.516 3.428 20 0 EGADRP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453127726 310259845 /nfs/dbraw/zinc/25/98/45/310259845.db2.gz LXCNVQSASNTHMQ-WLRLJWMZSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000453166958 310261906 /nfs/dbraw/zinc/26/19/06/310261906.db2.gz HXPLQRGMEIFCPZ-QWFCFKBJSA-N 2 0 338.499 3.298 20 0 EGADRP C[C@H](NCC[N@@H+]1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453401624 310275192 /nfs/dbraw/zinc/27/51/92/310275192.db2.gz PJQPVCBDVXNUAQ-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455852019 310379533 /nfs/dbraw/zinc/37/95/33/310379533.db2.gz LSUYSYQJLCDJTN-PKOBYXMFSA-N 2 0 344.503 3.231 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455855657 310379698 /nfs/dbraw/zinc/37/96/98/310379698.db2.gz NOBYQAIMNVMIEP-HNAYVOBHSA-N 2 0 344.503 3.184 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455894381 310381544 /nfs/dbraw/zinc/38/15/44/310381544.db2.gz CVOMICSPZHUWGZ-ZMYBRWDISA-N 2 0 344.503 3.086 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455915662 310382234 /nfs/dbraw/zinc/38/22/34/310382234.db2.gz KNQRSPPYIVTENS-DNVCBOLYSA-N 2 0 344.503 3.041 20 0 EGADRP c1cnn([C@H]2CCCC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459440934 310552993 /nfs/dbraw/zinc/55/29/93/310552993.db2.gz OQVSMARQJBCOCF-MOPGFXCFSA-N 2 0 325.460 3.020 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000479067477 310868521 /nfs/dbraw/zinc/86/85/21/310868521.db2.gz KECZBAZWSGNPII-HNAYVOBHSA-N 2 0 339.474 3.135 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479328721 310872630 /nfs/dbraw/zinc/87/26/30/310872630.db2.gz TVPVPJJIWYXTMM-LJQANCHMSA-N 2 0 339.474 3.279 20 0 EGADRP Cc1cc2[nH]c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2c(C)c1 ZINC000481907026 310923537 /nfs/dbraw/zinc/92/35/37/310923537.db2.gz GQDFJCNRZRJURJ-UHFFFAOYSA-N 2 0 341.499 3.329 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000488414814 311064502 /nfs/dbraw/zinc/06/45/02/311064502.db2.gz FOOGOFJWXMEJHZ-HKUYNNGSSA-N 2 0 336.545 3.289 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CC[C@@H]2CCC[NH2+]2)CCCC1)c1ccccc1 ZINC000494647719 311498217 /nfs/dbraw/zinc/49/82/17/311498217.db2.gz IYLRBHCQXQMJEG-HKUYNNGSSA-N 2 0 343.515 3.298 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495755105 311606330 /nfs/dbraw/zinc/60/63/30/311606330.db2.gz UJDDUNTZHMMVIJ-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497137262 311823596 /nfs/dbraw/zinc/82/35/96/311823596.db2.gz XPWOVAQWAWPWRQ-KRWDZBQOSA-N 2 0 347.503 3.142 20 0 EGADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000502721976 311971731 /nfs/dbraw/zinc/97/17/31/311971731.db2.gz HUHNWBMMZQAAON-TZIWHRDSSA-N 2 0 346.515 3.456 20 0 EGADRP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505611624 312028036 /nfs/dbraw/zinc/02/80/36/312028036.db2.gz MBDBIONPGHCWJU-MJGOQNOKSA-N 2 0 345.531 3.216 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000507507892 312075573 /nfs/dbraw/zinc/07/55/73/312075573.db2.gz IIDUFGRZNJDBLV-INIZCTEOSA-N 2 0 335.458 3.257 20 0 EGADRP C[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508191085 312090504 /nfs/dbraw/zinc/09/05/04/312090504.db2.gz ARNLJVHZEXINND-GUDVDZBRSA-N 2 0 349.563 3.362 20 0 EGADRP CC[NH+](CC)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512631406 312191287 /nfs/dbraw/zinc/19/12/87/312191287.db2.gz QRNHAKMSLHHXBY-NJDAHSKKSA-N 2 0 329.532 3.219 20 0 EGADRP CCn1nccc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513513241 312212294 /nfs/dbraw/zinc/21/22/94/312212294.db2.gz SBVYNFZZVMHZLY-PKOBYXMFSA-N 2 0 326.488 3.293 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000516942139 312352495 /nfs/dbraw/zinc/35/24/95/312352495.db2.gz BZPTXZLEKPEYTD-MRXNPFEDSA-N 2 0 340.471 3.097 20 0 EGADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000517024025 312358927 /nfs/dbraw/zinc/35/89/27/312358927.db2.gz QEHATCKYWKTCDM-HNNXBMFYSA-N 2 0 339.277 3.252 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000527858462 312959618 /nfs/dbraw/zinc/95/96/18/312959618.db2.gz KMRJPSQJKZHVOL-MPGHIAIKSA-N 2 0 331.479 3.417 20 0 EGADRP CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375714 313077359 /nfs/dbraw/zinc/07/73/59/313077359.db2.gz CSFUOTIRDNMGIC-QZTJIDSGSA-N 2 0 344.503 3.016 20 0 EGADRP Clc1cccc2c1CC[C@@H]2[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240056 313503913 /nfs/dbraw/zinc/50/39/13/313503913.db2.gz KFJBKBITRFUXPV-BEFAXECRSA-N 2 0 334.891 3.418 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532197236 313767857 /nfs/dbraw/zinc/76/78/57/313767857.db2.gz HIMINOLVICIMEX-OAHLLOKOSA-N 2 0 337.467 3.484 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccco2)CC1 ZINC000532647686 313825504 /nfs/dbraw/zinc/82/55/04/313825504.db2.gz HMBCBMUFLKXJFK-UWVAXJGDSA-N 2 0 334.504 3.063 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N(CC)CC)nc2)[C@H](C)C1 ZINC000537455262 314182079 /nfs/dbraw/zinc/18/20/79/314182079.db2.gz BPROTGPKNGJDFC-IEBWSBKVSA-N 2 0 348.535 3.477 20 0 EGADRP Cc1cccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1C ZINC000537661595 314200119 /nfs/dbraw/zinc/20/01/19/314200119.db2.gz QRCPXFHKLAGKKH-UHFFFAOYSA-N 2 0 329.532 3.294 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000537991488 314222715 /nfs/dbraw/zinc/22/27/15/314222715.db2.gz ORGRJJOBIBEKIB-XNJGSVPQSA-N 2 0 337.305 3.452 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC(=O)Nc2ccccn2)CC1 ZINC000538615742 314258777 /nfs/dbraw/zinc/25/87/77/314258777.db2.gz UTZRDBVXEZHQOF-WMZOPIPTSA-N 2 0 344.503 3.043 20 0 EGADRP COc1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539861352 314346228 /nfs/dbraw/zinc/34/62/28/314346228.db2.gz MLYPUNJROXYCFH-ROUUACIJSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000540143502 314365596 /nfs/dbraw/zinc/36/55/96/314365596.db2.gz HFEKYEPDIMSIFD-XHDPSFHLSA-N 2 0 329.257 3.061 20 0 EGADRP CN1CCN([C@H](C[NH2+][C@H]2CCC[C@@H]2C2CC2)c2cccs2)CC1 ZINC000540260814 314372404 /nfs/dbraw/zinc/37/24/04/314372404.db2.gz NYTYVTDOPQZZSA-FGTMMUONSA-N 2 0 333.545 3.205 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)C1 ZINC000549754879 315103451 /nfs/dbraw/zinc/10/34/51/315103451.db2.gz SKWQZFHFXCEHGW-OKZBNKHCSA-N 2 0 336.520 3.495 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCC[NH+](C)C)cc1 ZINC000552362581 315215872 /nfs/dbraw/zinc/21/58/72/315215872.db2.gz CVDUOZYPNBHNCK-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC(C(C)(C)C)CC2)CC1 ZINC000553548218 315269516 /nfs/dbraw/zinc/26/95/16/315269516.db2.gz HQSYUALGBFBTHZ-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554346933 315311796 /nfs/dbraw/zinc/31/17/96/315311796.db2.gz KMRRGSZMHVBXTF-QKPAOTATSA-N 2 0 336.442 3.444 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000555584479 315392143 /nfs/dbraw/zinc/39/21/43/315392143.db2.gz QXTUAHGWFBQPFW-SJLPKXTDSA-N 2 0 336.520 3.353 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000557041032 315492754 /nfs/dbraw/zinc/49/27/54/315492754.db2.gz QVWRMCAELDAEHX-KRWDZBQOSA-N 2 0 346.862 3.223 20 0 EGADRP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000560528835 315703443 /nfs/dbraw/zinc/70/34/43/315703443.db2.gz RZLHZWVAPGIFCY-MOPGFXCFSA-N 2 0 331.548 3.419 20 0 EGADRP Cc1nc([C@H](C)N2CCCO[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670207 316053467 /nfs/dbraw/zinc/05/34/67/316053467.db2.gz MYSYZZVWPBWRIH-BBRMVZONSA-N 2 0 349.862 3.414 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000563765210 316065862 /nfs/dbraw/zinc/06/58/62/316065862.db2.gz SMEJLOMXNILWLA-WOJBJXKFSA-N 2 0 345.462 3.165 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000564070212 316108618 /nfs/dbraw/zinc/10/86/18/316108618.db2.gz PXIMPWUNAQFMQT-GFOJFJKKSA-N 2 0 329.532 3.215 20 0 EGADRP Cc1cnc2cc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccn12 ZINC000564352929 316141809 /nfs/dbraw/zinc/14/18/09/316141809.db2.gz YODBJOZPDYTVDQ-NVXWUHKLSA-N 2 0 340.471 3.026 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000564545211 316165549 /nfs/dbraw/zinc/16/55/49/316165549.db2.gz BZPTXZLEKPEYTD-INIZCTEOSA-N 2 0 340.471 3.097 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000564929105 316233311 /nfs/dbraw/zinc/23/33/11/316233311.db2.gz BSYGFHBVLCIZRS-RBUKOAKNSA-N 2 0 343.515 3.190 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000564969682 316239764 /nfs/dbraw/zinc/23/97/64/316239764.db2.gz BPFGZVDDTZELFB-NEPJUHHUSA-N 2 0 334.382 3.242 20 0 EGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567674960 316652689 /nfs/dbraw/zinc/65/26/89/316652689.db2.gz SUXNLJIAXIFZOB-SFHVURJKSA-N 2 0 345.512 3.119 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000568247078 316749037 /nfs/dbraw/zinc/74/90/37/316749037.db2.gz BBTCMOZSDXJNJJ-MSOLQXFVSA-N 3 0 335.923 3.412 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000569453127 316917074 /nfs/dbraw/zinc/91/70/74/316917074.db2.gz XBCMKIKRBOPDRX-ZPVISIIKSA-N 2 0 330.863 3.336 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000569712914 316953430 /nfs/dbraw/zinc/95/34/30/316953430.db2.gz IYNYAYDXTXVWDN-ZJIFWQFVSA-N 2 0 349.906 3.343 20 0 EGADRP C[N@H+](CCC[NH3+])Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000570093324 317006153 /nfs/dbraw/zinc/00/61/53/317006153.db2.gz KODNILZUAWQKCQ-UHFFFAOYSA-N 2 0 331.847 3.373 20 0 EGADRP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570964268 317133716 /nfs/dbraw/zinc/13/37/16/317133716.db2.gz HFSDHLOPHYFVJM-GJZGRUSLSA-N 2 0 342.405 3.406 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000571203429 317165871 /nfs/dbraw/zinc/16/58/71/317165871.db2.gz FACQOAHVVSNSTO-JTDSTZFVSA-N 2 0 331.504 3.009 20 0 EGADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000572690108 317374626 /nfs/dbraw/zinc/37/46/26/317374626.db2.gz KYENLWIVXAYLBT-WMZOPIPTSA-N 2 0 330.520 3.443 20 0 EGADRP C[C@H]1CCC[C@](CNC(=O)c2ccc(CC[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000572732890 317384522 /nfs/dbraw/zinc/38/45/22/317384522.db2.gz SZHYKSMAPFNFMJ-UWJYYQICSA-N 2 0 345.531 3.031 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)c2ccccc21 ZINC000574174751 317569848 /nfs/dbraw/zinc/56/98/48/317569848.db2.gz JFJJTFLCCQUWIH-WOJBJXKFSA-N 2 0 344.499 3.490 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)C[NH+](C)C ZINC000381695708 324247431 /nfs/dbraw/zinc/24/74/31/324247431.db2.gz FKANWCSRDRJUPI-WBMJQRKESA-N 2 0 325.294 3.094 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000383339545 324256121 /nfs/dbraw/zinc/25/61/21/324256121.db2.gz ROHFCQFVKSNTQP-UHFFFAOYSA-N 2 0 339.524 3.286 20 0 EGADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)O1 ZINC000383747917 324257369 /nfs/dbraw/zinc/25/73/69/324257369.db2.gz ZCVISPXQAVXIOW-ZGXWSNOMSA-N 2 0 328.500 3.444 20 0 EGADRP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)CCC1 ZINC000387371621 324270688 /nfs/dbraw/zinc/27/06/88/324270688.db2.gz IHJIAVSCDSDTEL-UXHICEINSA-N 2 0 327.516 3.258 20 0 EGADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)COCc1ccccc1 ZINC000389948783 324281543 /nfs/dbraw/zinc/28/15/43/324281543.db2.gz RSWIJYQCEIEVHL-GOSISDBHSA-N 2 0 339.483 3.493 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398010111 324295156 /nfs/dbraw/zinc/29/51/56/324295156.db2.gz RZPODAWBUMBJMZ-BHIYHBOVSA-N 2 0 345.531 3.037 20 0 EGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418362063 324306035 /nfs/dbraw/zinc/30/60/35/324306035.db2.gz UWKQBBXZBPUWPE-LJQANCHMSA-N 2 0 348.535 3.039 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000577370150 324795096 /nfs/dbraw/zinc/79/50/96/324795096.db2.gz VVWLMTMOJDQAES-GVDBMIGSSA-N 2 0 346.519 3.075 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000578765158 325015764 /nfs/dbraw/zinc/01/57/64/325015764.db2.gz KEFRHKYDCFUMDM-KPFFTGBYSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000578894247 325033758 /nfs/dbraw/zinc/03/37/58/325033758.db2.gz CQXSJWKMXKNHCS-KRWDZBQOSA-N 2 0 335.536 3.009 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000579824599 325163242 /nfs/dbraw/zinc/16/32/42/325163242.db2.gz OBJLLUOSOWQFMX-OXJNMPFZSA-N 2 0 328.500 3.309 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000580618607 325274130 /nfs/dbraw/zinc/27/41/30/325274130.db2.gz ALSFPQGVKMTXOH-HNNXBMFYSA-N 2 0 330.451 3.046 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000581009650 325320826 /nfs/dbraw/zinc/32/08/26/325320826.db2.gz ZIFHSOHLJDQEIC-APWZRJJASA-N 2 0 331.504 3.051 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000581059535 325325670 /nfs/dbraw/zinc/32/56/70/325325670.db2.gz DJCXWSVMTRRBPG-RRFJBIMHSA-N 2 0 343.393 3.033 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000581070078 325326430 /nfs/dbraw/zinc/32/64/30/325326430.db2.gz YFLCFRVVFCAPAW-RCCFBDPRSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)C[NH+](Cc3ccccc3)C2)C1 ZINC000581694590 325383149 /nfs/dbraw/zinc/38/31/49/325383149.db2.gz YHMYHFQLKCMTQW-HMXCVIKNSA-N 2 0 329.532 3.217 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000582251699 325426704 /nfs/dbraw/zinc/42/67/04/325426704.db2.gz DNZJPOXIJKSWPA-MCIONIFRSA-N 2 0 328.287 3.432 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000582430862 325440884 /nfs/dbraw/zinc/44/08/84/325440884.db2.gz JYQGLDSNKLTISR-OAHLLOKOSA-N 2 0 326.444 3.052 20 0 EGADRP [NH3+]CCC[N@@H+](Cc1cncc(Br)c1)CC1CCCC1 ZINC000352517250 457434479 /nfs/dbraw/zinc/43/44/79/457434479.db2.gz CKHQJZOWWQAFGT-UHFFFAOYSA-N 2 0 326.282 3.185 20 0 EGADRP CCc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000157710245 455223649 /nfs/dbraw/zinc/22/36/49/455223649.db2.gz PLGGDODXQBVXKO-IBGZPJMESA-N 2 0 346.519 3.129 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539477 458455054 /nfs/dbraw/zinc/45/50/54/458455054.db2.gz IJYACHMQYPMXCG-SHFYGJNESA-N 2 0 335.289 3.414 20 0 EGADRP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)o1 ZINC000237974924 455240519 /nfs/dbraw/zinc/24/05/19/455240519.db2.gz LYQGJGGVSTWDMA-UHFFFAOYSA-N 2 0 341.455 3.044 20 0 EGADRP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000237974841 455240648 /nfs/dbraw/zinc/24/06/48/455240648.db2.gz LEUFZPZNTBFCAR-UHFFFAOYSA-N 2 0 337.467 3.061 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000180812761 455249784 /nfs/dbraw/zinc/24/97/84/455249784.db2.gz HOVZTSJTOUDSLG-RDJZCZTQSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)N(CC[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000158754829 455326610 /nfs/dbraw/zinc/32/66/10/455326610.db2.gz CVDGDKYAVKNYJM-KRWDZBQOSA-N 2 0 348.535 3.097 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000631827445 460575247 /nfs/dbraw/zinc/57/52/47/460575247.db2.gz OOQXEVFJUSSPLF-IAGOWNOFSA-N 2 0 341.455 3.172 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245611822 455341031 /nfs/dbraw/zinc/34/10/31/455341031.db2.gz ODGJVGUAARCCDK-UKRRQHHQSA-N 2 0 325.522 3.023 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000605442830 460582844 /nfs/dbraw/zinc/58/28/44/460582844.db2.gz STYLCMSUDHGEFQ-HXUWFJFHSA-N 2 0 345.531 3.498 20 0 EGADRP C[NH+]1CCC(Oc2ccc(CN[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623516696 460591699 /nfs/dbraw/zinc/59/16/99/460591699.db2.gz AXGMPFOTKXFJQD-SFHVURJKSA-N 2 0 345.531 3.122 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000066960847 453890036 /nfs/dbraw/zinc/89/00/36/453890036.db2.gz WJORKJUWUYJPEW-HXUWFJFHSA-N 2 0 345.531 3.260 20 0 EGADRP CN(C)c1c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)ccc(F)c1F ZINC000623575339 460621444 /nfs/dbraw/zinc/62/14/44/460621444.db2.gz WGHBYFFQIPAXHF-OAHLLOKOSA-N 2 0 337.458 3.242 20 0 EGADRP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524084 454064547 /nfs/dbraw/zinc/06/45/47/454064547.db2.gz HODATJSKSLKPDS-DLBZAZTESA-N 2 0 343.515 3.016 20 0 EGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000182026288 455419061 /nfs/dbraw/zinc/41/90/61/455419061.db2.gz BPECLKVHGCYJAN-BBWFWOEESA-N 2 0 347.503 3.185 20 0 EGADRP Clc1ccc(-c2noc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000089555876 454161819 /nfs/dbraw/zinc/16/18/19/454161819.db2.gz MGLXXVRZJYBDAK-HZPDHXFCSA-N 2 0 346.862 3.149 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627778 454170093 /nfs/dbraw/zinc/17/00/93/454170093.db2.gz SFDDCBIWOOHROP-NUJGCVRESA-N 2 0 327.472 3.322 20 0 EGADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000071040135 454195125 /nfs/dbraw/zinc/19/51/25/454195125.db2.gz OHDGKVJZSWJVMR-UHFFFAOYSA-N 2 0 347.422 3.115 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000131551989 454263624 /nfs/dbraw/zinc/26/36/24/454263624.db2.gz XOQKHJAJEDTLED-KRWDZBQOSA-N 2 0 341.430 3.135 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044595 454265595 /nfs/dbraw/zinc/26/55/95/454265595.db2.gz BHOXZBXGJFLTEO-IIAWOOMASA-N 2 0 330.501 3.066 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000090523460 454316382 /nfs/dbraw/zinc/31/63/82/454316382.db2.gz DPMJEPFJLZTFGB-NJYVYQBISA-N 2 0 328.500 3.340 20 0 EGADRP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090526048 454317136 /nfs/dbraw/zinc/31/71/36/454317136.db2.gz FTBFLJKHQXFXMQ-ZCNNSNEGSA-N 2 0 344.499 3.040 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000072630340 454320260 /nfs/dbraw/zinc/32/02/60/454320260.db2.gz FNWPZZLMCIZKOJ-UHFFFAOYSA-N 2 0 339.430 3.100 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N1CC[NH+](C)CC1 ZINC000132356229 454331972 /nfs/dbraw/zinc/33/19/72/454331972.db2.gz VIIZIBAXLUKLIC-LAUBAEHRSA-N 2 0 329.532 3.098 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N1CC[NH+](C)CC1 ZINC000132356403 454332226 /nfs/dbraw/zinc/33/22/26/454332226.db2.gz VIIZIBAXLUKLIC-UWJYYQICSA-N 2 0 329.532 3.098 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)N1CC[NH+](C)CC1 ZINC000132378093 454333985 /nfs/dbraw/zinc/33/39/85/454333985.db2.gz AGUNOKXJPDYVFY-KBXCAEBGSA-N 2 0 341.902 3.402 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000090936623 454351181 /nfs/dbraw/zinc/35/11/81/454351181.db2.gz CIDGISHJSOOYEI-BVIKNXMNSA-N 2 0 334.504 3.201 20 0 EGADRP CCOc1ccccc1[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090936838 454351285 /nfs/dbraw/zinc/35/12/85/454351285.db2.gz LYKQDSZGWVFDSK-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000090936903 454351705 /nfs/dbraw/zinc/35/17/05/454351705.db2.gz PBTORGASROLSJQ-CYBMUJFWSA-N 2 0 348.516 3.200 20 0 EGADRP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000079303710 454394948 /nfs/dbraw/zinc/39/49/48/454394948.db2.gz CULKWAHOZCDZFM-ROUUACIJSA-N 2 0 345.531 3.265 20 0 EGADRP COc1ccccc1[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000091266640 454420439 /nfs/dbraw/zinc/42/04/39/454420439.db2.gz OBNJBKCUXNPVRI-OAQYLSRUSA-N 2 0 345.531 3.154 20 0 EGADRP CC1CC[NH+](CCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000063667213 454434824 /nfs/dbraw/zinc/43/48/24/454434824.db2.gz PUFDNLTWHKRIHU-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000121891588 454489978 /nfs/dbraw/zinc/48/99/78/454489978.db2.gz DNEMYJSEKTYSLZ-QRWLVFNGSA-N 2 0 326.484 3.463 20 0 EGADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564894 454498481 /nfs/dbraw/zinc/49/84/81/454498481.db2.gz VKOUCLUCMVBGBR-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000074188343 454541604 /nfs/dbraw/zinc/54/16/04/454541604.db2.gz FQDOTXPBMFCNDG-IAGOWNOFSA-N 2 0 349.544 3.266 20 0 EGADRP COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)ccc1OC(F)F ZINC000105443854 454638865 /nfs/dbraw/zinc/63/88/65/454638865.db2.gz XAQWVPOCCYLRPQ-GFCCVEGCSA-N 2 0 339.386 3.227 20 0 EGADRP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123553837 454651783 /nfs/dbraw/zinc/65/17/83/454651783.db2.gz GWEISGPNBZVGJG-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000052208965 454661713 /nfs/dbraw/zinc/66/17/13/454661713.db2.gz BCZYTQDCSXGSDN-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000635004053 460647929 /nfs/dbraw/zinc/64/79/29/460647929.db2.gz CJXBPVTVYDWAMM-SHTZXODSSA-N 2 0 349.906 3.052 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000635004786 460648124 /nfs/dbraw/zinc/64/81/24/460648124.db2.gz FRFSXTSCQTZTHC-RZDIXWSQSA-N 2 0 335.923 3.412 20 0 EGADRP Cc1cccnc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093187960 454690753 /nfs/dbraw/zinc/69/07/53/454690753.db2.gz FGVDFOZRSIEKGR-QZTJIDSGSA-N 2 0 331.504 3.101 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000635005786 460649284 /nfs/dbraw/zinc/64/92/84/460649284.db2.gz PICGOROWWNQUHZ-JQFCIGGWSA-N 2 0 332.879 3.270 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)(C)c1ccccc1 ZINC000124333727 454719847 /nfs/dbraw/zinc/71/98/47/454719847.db2.gz MYDIFDSBAGBAJM-SFHVURJKSA-N 2 0 331.548 3.216 20 0 EGADRP CC(C)C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccn1 ZINC000124335014 454720146 /nfs/dbraw/zinc/72/01/46/454720146.db2.gz CSXKJCWXIKDPAE-HXUWFJFHSA-N 2 0 332.536 3.032 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124453214 454735604 /nfs/dbraw/zinc/73/56/04/454735604.db2.gz CROOMPKKRZDUKQ-OAQYLSRUSA-N 2 0 349.538 3.256 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000124512358 454742857 /nfs/dbraw/zinc/74/28/57/454742857.db2.gz AKDAAPCVRBBREL-IBGZPJMESA-N 2 0 335.923 3.191 20 0 EGADRP COc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162556333 454783372 /nfs/dbraw/zinc/78/33/72/454783372.db2.gz NZMMHXPTCZJWKF-INIZCTEOSA-N 2 0 328.456 3.486 20 0 EGADRP FC(F)Oc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000635011667 460655368 /nfs/dbraw/zinc/65/53/68/460655368.db2.gz GEBWCDYUSPTUPA-QJPTWQEYSA-N 2 0 330.806 3.419 20 0 EGADRP Cc1nccc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000176811628 454786636 /nfs/dbraw/zinc/78/66/36/454786636.db2.gz TVSGCLPYXNYSKT-UHFFFAOYSA-N 2 0 340.471 3.268 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000153368239 454786623 /nfs/dbraw/zinc/78/66/23/454786623.db2.gz GWSFOPSOLXWVCZ-GOSISDBHSA-N 2 0 345.531 3.409 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000153585414 454809003 /nfs/dbraw/zinc/80/90/03/454809003.db2.gz ZCFREHLRPSYVGJ-IMFGXOCKSA-N 2 0 329.532 3.407 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000153746023 454828943 /nfs/dbraw/zinc/82/89/43/454828943.db2.gz HUKSIJNESRJRLQ-INIZCTEOSA-N 2 0 330.472 3.467 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000153793545 454834083 /nfs/dbraw/zinc/83/40/83/454834083.db2.gz KZCCDMRIKTWPRP-MRXNPFEDSA-N 2 0 330.472 3.467 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC000111068760 454856025 /nfs/dbraw/zinc/85/60/25/454856025.db2.gz OTAPZLCQKDOQTC-QUCCMNQESA-N 2 0 345.531 3.306 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154356627 454888292 /nfs/dbraw/zinc/88/82/92/454888292.db2.gz YRCVZYSRHYEZMF-OAHLLOKOSA-N 2 0 338.565 3.253 20 0 EGADRP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)CN(C)C)cc1C ZINC000154376649 454891010 /nfs/dbraw/zinc/89/10/10/454891010.db2.gz GCJGKJDKWWXQGK-RTWAWAEBSA-N 2 0 326.484 3.099 20 0 EGADRP C[C@H](CN[C@@H](C)c1cnn(Cc2ccccc2)c1)C[NH+]1CCCC1 ZINC000165324325 454897908 /nfs/dbraw/zinc/89/79/08/454897908.db2.gz HKDULYZXIDISGV-MSOLQXFVSA-N 2 0 326.488 3.314 20 0 EGADRP CC(C)[NH2+]CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166414804 454911585 /nfs/dbraw/zinc/91/15/85/454911585.db2.gz UGCTVGUXKREHGN-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP CN(c1ccccc1C[NH2+]CCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000151036671 454928566 /nfs/dbraw/zinc/92/85/66/454928566.db2.gz ZMAGNTTZBUDLJM-UHFFFAOYSA-N 2 0 329.410 3.259 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC000178469784 454956048 /nfs/dbraw/zinc/95/60/48/454956048.db2.gz DJVQLWZJIYVJCP-OXJNMPFZSA-N 2 0 328.500 3.500 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127574320 454978316 /nfs/dbraw/zinc/97/83/16/454978316.db2.gz ZSIJFGIFMXUTIU-DNVCBOLYSA-N 2 0 335.923 3.333 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1)C(C)C ZINC000151810049 455033260 /nfs/dbraw/zinc/03/32/60/455033260.db2.gz XUEAVGCKGJJTPV-UHFFFAOYSA-N 2 0 333.520 3.329 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1)C(C)C ZINC000152109226 455073683 /nfs/dbraw/zinc/07/36/83/455073683.db2.gz VPRPDGYEOYLFDO-HXUWFJFHSA-N 2 0 339.483 3.347 20 0 EGADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000129063128 455096636 /nfs/dbraw/zinc/09/66/36/455096636.db2.gz VJZUPKAGDKLCCL-QWRGUYRKSA-N 2 0 330.259 3.134 20 0 EGADRP Brc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000156339803 455106583 /nfs/dbraw/zinc/10/65/83/455106583.db2.gz HKIHMMSNLWFOGM-MRXNPFEDSA-N 2 0 333.229 3.497 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccncc2)CC1 ZINC000156466108 455121682 /nfs/dbraw/zinc/12/16/82/455121682.db2.gz NTSGUGQVXKPXCV-GOSISDBHSA-N 2 0 338.499 3.070 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152487658 455125933 /nfs/dbraw/zinc/12/59/33/455125933.db2.gz NRLFWGXAPVNDDA-QWHCGFSZSA-N 2 0 341.858 3.080 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000600985375 460664889 /nfs/dbraw/zinc/66/48/89/460664889.db2.gz AKAPAQQMMMCWOQ-FQEVSTJZSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cncn2C)C1 ZINC000237686478 455207514 /nfs/dbraw/zinc/20/75/14/455207514.db2.gz ZSLUAYIWBAPXML-CALCHBBNSA-N 2 0 326.488 3.188 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)Cc3ccccc3)CC2)C1 ZINC000158191854 455278268 /nfs/dbraw/zinc/27/82/68/455278268.db2.gz WFTXAZNICODSCC-WMQCIHAUSA-N 2 0 330.516 3.223 20 0 EGADRP C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245431912 455297253 /nfs/dbraw/zinc/29/72/53/455297253.db2.gz AZUPXUYNUSYJOA-YADHBBJMSA-N 2 0 338.495 3.044 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccs1 ZINC000158472421 455306820 /nfs/dbraw/zinc/30/68/20/455306820.db2.gz LVVGKUKCNOUWIN-MRXNPFEDSA-N 2 0 330.501 3.136 20 0 EGADRP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158938363 455339007 /nfs/dbraw/zinc/33/90/07/455339007.db2.gz AFADYRSMETZLMI-MSOLQXFVSA-N 2 0 349.563 3.410 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000159170090 455356710 /nfs/dbraw/zinc/35/67/10/455356710.db2.gz SQQNSEKBDQVAIO-KRWDZBQOSA-N 2 0 342.487 3.024 20 0 EGADRP CN(c1ccccc1C[N@H+](C)C[C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000245716350 455362466 /nfs/dbraw/zinc/36/24/66/455362466.db2.gz HBGWSHPAROZWJG-GOSISDBHSA-N 2 0 345.531 3.075 20 0 EGADRP Cn1cc([C@@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000245935654 455402390 /nfs/dbraw/zinc/40/23/90/455402390.db2.gz JBEYWMAYBHFQRW-OTWHNJEPSA-N 2 0 330.451 3.111 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCN(C(C)C)C1=O ZINC000174984049 455419755 /nfs/dbraw/zinc/41/97/55/455419755.db2.gz VAZGVUZGIRPHSZ-LJQANCHMSA-N 2 0 331.504 3.017 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182544284 455537427 /nfs/dbraw/zinc/53/74/27/455537427.db2.gz VZNOQXIKENCUAW-KRWDZBQOSA-N 2 0 335.495 3.372 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247102816 455559208 /nfs/dbraw/zinc/55/92/08/455559208.db2.gz SOBIBVVFGMZKDZ-MOPGFXCFSA-N 3 0 347.547 3.398 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CCOCC2)cc1 ZINC000247177189 455568931 /nfs/dbraw/zinc/56/89/31/455568931.db2.gz UXTPYFQEYVNZKV-PKOBYXMFSA-N 2 0 346.515 3.206 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000247180770 455570014 /nfs/dbraw/zinc/57/00/14/455570014.db2.gz VFFITHJCVYABET-QZTJIDSGSA-N 2 0 341.503 3.430 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCC(C)CC2)CC1 ZINC000182746103 455580725 /nfs/dbraw/zinc/58/07/25/455580725.db2.gz LSOZWEVQVREYKW-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000182771395 455583733 /nfs/dbraw/zinc/58/37/33/455583733.db2.gz OSVXFLQAXKCZDU-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2)n1 ZINC000247343728 455590119 /nfs/dbraw/zinc/59/01/19/455590119.db2.gz XRLIKWLUKGHYSL-PZJWPPBQSA-N 2 0 338.499 3.405 20 0 EGADRP Cc1cc(C)cc(NC(=O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185684072 455595366 /nfs/dbraw/zinc/59/53/66/455595366.db2.gz NHKBVAHACAZWSF-ZWKOTPCHSA-N 2 0 343.515 3.485 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]CCCCCOc2ccccc2)CCCO1 ZINC000277572596 455603224 /nfs/dbraw/zinc/60/32/24/455603224.db2.gz SRVIOQBFBUIKIQ-LJQANCHMSA-N 2 0 334.504 3.326 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767215 455618662 /nfs/dbraw/zinc/61/86/62/455618662.db2.gz MPKLUMRPMDMLHM-HOTGVXAUSA-N 2 0 347.478 3.397 20 0 EGADRP CCOc1ccccc1NC(=O)[C@@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247543402 455621881 /nfs/dbraw/zinc/62/18/81/455621881.db2.gz PIKWJPMUZNMXOD-IAGOWNOFSA-N 2 0 347.503 3.219 20 0 EGADRP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000277654875 455625937 /nfs/dbraw/zinc/62/59/37/455625937.db2.gz DXLCABSJSGSWMM-HNNXBMFYSA-N 2 0 338.517 3.008 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000185873063 455639516 /nfs/dbraw/zinc/63/95/16/455639516.db2.gz NOMMYQKBRHWVFR-CYBMUJFWSA-N 2 0 330.303 3.109 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1Cl ZINC000284131886 455640804 /nfs/dbraw/zinc/64/08/04/455640804.db2.gz CWTBIFUGOMYDNZ-CQSZACIVSA-N 2 0 340.895 3.235 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000185892761 455645496 /nfs/dbraw/zinc/64/54/96/455645496.db2.gz QGFGLQBCZQPSRV-UHFFFAOYSA-N 2 0 344.330 3.499 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000247999848 455667693 /nfs/dbraw/zinc/66/76/93/455667693.db2.gz KGODOHXWDQUZNY-UFYCRDLUSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1OC(F)F ZINC000247999937 455667972 /nfs/dbraw/zinc/66/79/72/455667972.db2.gz KHRHYHQXCAFKGA-CABCVRRESA-N 2 0 342.430 3.176 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000192754975 455687080 /nfs/dbraw/zinc/68/70/80/455687080.db2.gz WOURDRFXTJYGOX-PZJWPPBQSA-N 2 0 329.532 3.281 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000284450930 455688357 /nfs/dbraw/zinc/68/83/57/455688357.db2.gz SNNGSOMZUWEGOB-BDTNDASRSA-N 2 0 342.527 3.284 20 0 EGADRP CC[C@H]1Cc2ccccc2C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192800544 455696501 /nfs/dbraw/zinc/69/65/01/455696501.db2.gz PPIVTWOHJODKHZ-NRFANRHFSA-N 2 0 329.532 3.239 20 0 EGADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000192924349 455719605 /nfs/dbraw/zinc/71/96/05/455719605.db2.gz UGQTVJJSSBRGRN-MRXNPFEDSA-N 2 0 329.488 3.283 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000268898185 455723133 /nfs/dbraw/zinc/72/31/33/455723133.db2.gz OAOUXFNQGXHUFG-KPFFTGBYSA-N 2 0 328.456 3.130 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000271695202 455724818 /nfs/dbraw/zinc/72/48/18/455724818.db2.gz LKFDMUICRNHOHK-HSALFYBXSA-N 2 0 332.463 3.171 20 0 EGADRP COCCC[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271745167 455743109 /nfs/dbraw/zinc/74/31/09/455743109.db2.gz DKIDMISACGABQO-GOSISDBHSA-N 2 0 334.504 3.108 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3c4ccccc4sc32)CC1 ZINC000268980513 455751242 /nfs/dbraw/zinc/75/12/42/455751242.db2.gz KNVSBMJNYNMAEA-INIZCTEOSA-N 2 0 330.497 3.325 20 0 EGADRP CCCc1nc(CN[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)cs1 ZINC000249470642 455757538 /nfs/dbraw/zinc/75/75/38/455757538.db2.gz UIXLVPTUNPKABC-NVXWUHKLSA-N 2 0 339.549 3.322 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000268995184 455758205 /nfs/dbraw/zinc/75/82/05/455758205.db2.gz XIWCSUGILAIHSB-MRUCNHBDSA-N 2 0 328.500 3.447 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000269072755 455782418 /nfs/dbraw/zinc/78/24/18/455782418.db2.gz XJWXERMYRJTVAD-OAQYLSRUSA-N 2 0 338.495 3.407 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cncc(F)c1 ZINC000269079489 455784169 /nfs/dbraw/zinc/78/41/69/455784169.db2.gz ODRKGTFTBIJWNB-OAHLLOKOSA-N 2 0 343.446 3.028 20 0 EGADRP COc1ccc(C(=O)CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000285283170 455817339 /nfs/dbraw/zinc/81/73/39/455817339.db2.gz AQNGGVDMEVFTPD-XLIONFOSSA-N 2 0 342.483 3.217 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278376455 455833909 /nfs/dbraw/zinc/83/39/09/455833909.db2.gz DWDSVMAGISSTHW-NQIIRXRSSA-N 3 0 341.543 3.361 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000285403004 455837559 /nfs/dbraw/zinc/83/75/59/455837559.db2.gz VVTQIBADNWVBRQ-APWZRJJASA-N 2 0 348.450 3.117 20 0 EGADRP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000285490268 455856747 /nfs/dbraw/zinc/85/67/47/455856747.db2.gz AHBMSKPEKOERHG-DIQOAJQMSA-N 2 0 348.556 3.034 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000187009302 455862271 /nfs/dbraw/zinc/86/22/71/455862271.db2.gz ACDUKMCFUIIPOU-BEFAXECRSA-N 2 0 340.458 3.234 20 0 EGADRP CCOC[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000255519247 455869401 /nfs/dbraw/zinc/86/94/01/455869401.db2.gz OWHUOWDCJWXLDS-SBUVDCAVSA-N 2 0 338.536 3.040 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C)c1 ZINC000285597875 455878631 /nfs/dbraw/zinc/87/86/31/455878631.db2.gz JPQURFWRDFEKFX-HXUWFJFHSA-N 2 0 338.499 3.383 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285620007 455882777 /nfs/dbraw/zinc/88/27/77/455882777.db2.gz WLMLHHLIASDDTO-SJPCQFCGSA-N 2 0 335.879 3.226 20 0 EGADRP C[C@H]([NH2+]C1CC1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000296226866 455885874 /nfs/dbraw/zinc/88/58/74/455885874.db2.gz CCDUKPUAOMDDTO-INIZCTEOSA-N 2 0 343.515 3.208 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000296307603 455905302 /nfs/dbraw/zinc/90/53/02/455905302.db2.gz NEHSOKFSSJXXTC-UHFFFAOYSA-N 2 0 346.515 3.460 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Br)c4cccnc34)C[C@@H]12 ZINC000261612659 455913470 /nfs/dbraw/zinc/91/34/70/455913470.db2.gz FEAGHVSYXSZCDQ-DJSGYFEHSA-N 2 0 346.272 3.166 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272372796 455928727 /nfs/dbraw/zinc/92/87/27/455928727.db2.gz UZEWIRHGFMMSKB-ABHMUUKNSA-N 2 0 328.500 3.300 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(N)s1 ZINC000261697599 455930358 /nfs/dbraw/zinc/93/03/58/455930358.db2.gz IBUGBVJCZCBQCH-CQSZACIVSA-N 2 0 330.501 3.390 20 0 EGADRP Clc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000280317517 455946730 /nfs/dbraw/zinc/94/67/30/455946730.db2.gz GMGZJDDBGHOEQT-HDICACEKSA-N 2 0 327.859 3.299 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261803729 455951442 /nfs/dbraw/zinc/95/14/42/455951442.db2.gz RFQMWJXKWMOYSK-FUHIMQAGSA-N 2 0 343.515 3.052 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000285998455 455957378 /nfs/dbraw/zinc/95/73/78/455957378.db2.gz IMBAIINVHANWOH-CVEARBPZSA-N 2 0 338.492 3.020 20 0 EGADRP CO[C@H](C)c1nc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261883454 455965147 /nfs/dbraw/zinc/96/51/47/455965147.db2.gz YWHHOVPWWYYJMW-UNEWFSDZSA-N 2 0 331.485 3.025 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261886482 455965465 /nfs/dbraw/zinc/96/54/65/455965465.db2.gz VGMLBBGRXSCEGO-HKUYNNGSSA-N 2 0 343.515 3.067 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1)C(C)C ZINC000272489101 455968522 /nfs/dbraw/zinc/96/85/22/455968522.db2.gz DKROJGSUOOBMNZ-UHFFFAOYSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cccc(CO)c1 ZINC000270517844 455973523 /nfs/dbraw/zinc/97/35/23/455973523.db2.gz QVBVANBWBOQYIG-QGZVFWFLSA-N 2 0 342.483 3.013 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187967174 455974758 /nfs/dbraw/zinc/97/47/58/455974758.db2.gz NAYUFWHYERVDFF-WIYYLYMNSA-N 2 0 329.532 3.452 20 0 EGADRP Cc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187983044 455975968 /nfs/dbraw/zinc/97/59/68/455975968.db2.gz KBWKOCLNQNWIMW-WIYYLYMNSA-N 2 0 329.532 3.452 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1 ZINC000286095914 455977111 /nfs/dbraw/zinc/97/71/11/455977111.db2.gz NKORIHHVFPSSCL-IBGZPJMESA-N 2 0 331.504 3.262 20 0 EGADRP C[NH2+]CCC1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000261976952 455979632 /nfs/dbraw/zinc/97/96/32/455979632.db2.gz GJTFMDDNGMRKPE-GFCCVEGCSA-N 2 0 341.858 3.128 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000262007271 455984752 /nfs/dbraw/zinc/98/47/52/455984752.db2.gz RXYZFDIKIFUWNO-INIZCTEOSA-N 2 0 345.531 3.460 20 0 EGADRP C[NH+]1CCC(C)(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000272531953 455984937 /nfs/dbraw/zinc/98/49/37/455984937.db2.gz NFPIBHPSIXIFGB-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000262011172 455985400 /nfs/dbraw/zinc/98/54/00/455985400.db2.gz UCVVGAHBBKWRSE-UHFFFAOYSA-N 2 0 341.858 3.129 20 0 EGADRP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)c1 ZINC000262086702 455994400 /nfs/dbraw/zinc/99/44/00/455994400.db2.gz GBGAXGMQNFCOLL-KRWDZBQOSA-N 2 0 345.487 3.034 20 0 EGADRP CC(C)SCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286213158 456002117 /nfs/dbraw/zinc/00/21/17/456002117.db2.gz YKBLCNWGGISJJS-FQEVSTJZSA-N 2 0 347.572 3.020 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262165794 456006269 /nfs/dbraw/zinc/00/62/69/456006269.db2.gz VYDRAERSDUVVCN-UZLBHIALSA-N 2 0 331.504 3.195 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1)C(C)C ZINC000272640818 456022838 /nfs/dbraw/zinc/02/28/38/456022838.db2.gz OHKWAARXWDTGMA-QUCCMNQESA-N 2 0 343.515 3.083 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000262378035 456030912 /nfs/dbraw/zinc/03/09/12/456030912.db2.gz YJLHSSPLBUAIPQ-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000270828816 456048686 /nfs/dbraw/zinc/04/86/86/456048686.db2.gz CJALEBLZJLELFN-UHFFFAOYSA-N 2 0 335.923 3.330 20 0 EGADRP CCCN1Cc2cccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)c2C1 ZINC000262655745 456051396 /nfs/dbraw/zinc/05/13/96/456051396.db2.gz UILIVOVWVOGMMQ-HOTGVXAUSA-N 2 0 329.488 3.377 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000262713897 456054788 /nfs/dbraw/zinc/05/47/88/456054788.db2.gz SVVZBJMJLRCJIN-QFBILLFUSA-N 2 0 331.504 3.284 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)N1CCC(n2c3ccccc3nc2CC)CC1 ZINC000236725723 456174736 /nfs/dbraw/zinc/17/47/36/456174736.db2.gz ZEVQMFXLASVPJC-MRXNPFEDSA-N 2 0 342.487 3.280 20 0 EGADRP C[C@@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000236788708 456184112 /nfs/dbraw/zinc/18/41/12/456184112.db2.gz MXUSKYRMYVGWSY-YTQPIUFNSA-N 2 0 343.515 3.045 20 0 EGADRP COc1cccc([C@H](C)[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000189003386 456195811 /nfs/dbraw/zinc/19/58/11/456195811.db2.gz JGOWKVZQDNZACK-IBGZPJMESA-N 2 0 345.531 3.250 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189008163 456196822 /nfs/dbraw/zinc/19/68/22/456196822.db2.gz UCVSEPKJOOWZQN-UHFFFAOYSA-N 2 0 349.828 3.086 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000236929760 456202129 /nfs/dbraw/zinc/20/21/29/456202129.db2.gz HFZNPEWCIBSKJA-LJQANCHMSA-N 2 0 325.456 3.037 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000236938395 456206107 /nfs/dbraw/zinc/20/61/07/456206107.db2.gz KDMDKCGTDOJITB-IAGOWNOFSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000273187543 456206416 /nfs/dbraw/zinc/20/64/16/456206416.db2.gz GAGGMJFQFQFBNX-GFOJFJKKSA-N 2 0 330.516 3.428 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189040414 456208692 /nfs/dbraw/zinc/20/86/92/456208692.db2.gz RCTPGIVXAOEDOJ-FGZHOGPDSA-N 2 0 343.559 3.405 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000237082337 456228760 /nfs/dbraw/zinc/22/87/60/456228760.db2.gz LWUYPYGPVQBWLE-QFBILLFUSA-N 2 0 331.504 3.052 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189144565 456238489 /nfs/dbraw/zinc/23/84/89/456238489.db2.gz HRRVFBGHJKYQRH-CEMLEFRQSA-N 2 0 343.559 3.261 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189144614 456239006 /nfs/dbraw/zinc/23/90/06/456239006.db2.gz HRRVFBGHJKYQRH-FCEUIQTBSA-N 2 0 343.559 3.261 20 0 EGADRP Cc1ccncc1CCC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000290183674 456261428 /nfs/dbraw/zinc/26/14/28/456261428.db2.gz ZIOKIZAHBJJDCC-UHFFFAOYSA-N 2 0 329.488 3.047 20 0 EGADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000340172850 456288978 /nfs/dbraw/zinc/28/89/78/456288978.db2.gz WEKQRVURTSTDLB-ZACQAIPSSA-N 2 0 334.504 3.199 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275712080 456293540 /nfs/dbraw/zinc/29/35/40/456293540.db2.gz UQZAIJZHWBLRDN-GOSISDBHSA-N 2 0 346.519 3.129 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340233657 456327958 /nfs/dbraw/zinc/32/79/58/456327958.db2.gz ZRNINFLQIYDMMG-MSOLQXFVSA-N 2 0 329.532 3.488 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@]1(C)CCCO1 ZINC000340240014 456334294 /nfs/dbraw/zinc/33/42/94/456334294.db2.gz QBWQKOBSPPQIMD-PXNSSMCTSA-N 2 0 332.488 3.208 20 0 EGADRP Cc1nccn1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000297996066 456339749 /nfs/dbraw/zinc/33/97/49/456339749.db2.gz ZFLHXURXWMPOGB-OAHLLOKOSA-N 2 0 326.444 3.205 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000275879835 456340468 /nfs/dbraw/zinc/34/04/68/456340468.db2.gz PFHFIKYQKYZLBC-AZUAARDMSA-N 2 0 341.503 3.039 20 0 EGADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352838210 456352115 /nfs/dbraw/zinc/35/21/15/456352115.db2.gz JIXWQGIQYMHIKN-NHCUHLMSSA-N 2 0 330.516 3.382 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000347769120 456359038 /nfs/dbraw/zinc/35/90/38/456359038.db2.gz FMSURZDFHXSFBA-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)c1nc(NC[C@@H]2CN(C3CC3)CCO2)cc(C(C)(C)C)n1 ZINC000302778463 456397377 /nfs/dbraw/zinc/39/73/77/456397377.db2.gz QAQKYPMONRHRPQ-OAHLLOKOSA-N 2 0 332.492 3.173 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1O ZINC000290699507 456407405 /nfs/dbraw/zinc/40/74/05/456407405.db2.gz NGRXXZUHGXFEDK-OAHLLOKOSA-N 2 0 341.455 3.363 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000347860159 456410617 /nfs/dbraw/zinc/41/06/17/456410617.db2.gz RGKODGOORQMCKM-UHFFFAOYSA-N 2 0 334.504 3.332 20 0 EGADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282175467 456434916 /nfs/dbraw/zinc/43/49/16/456434916.db2.gz FHFVHWHIDGITAO-KRWDZBQOSA-N 2 0 325.447 3.032 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000303514339 456465208 /nfs/dbraw/zinc/46/52/08/456465208.db2.gz DGDCNNABTATLSF-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000340449573 456467738 /nfs/dbraw/zinc/46/77/38/456467738.db2.gz NCCFJQCFUUEIMC-GJZGRUSLSA-N 2 0 329.444 3.139 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000282300164 456470611 /nfs/dbraw/zinc/47/06/11/456470611.db2.gz MGLBGPBQXGALOK-CQSZACIVSA-N 2 0 343.437 3.382 20 0 EGADRP CN(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000298519721 456478743 /nfs/dbraw/zinc/47/87/43/456478743.db2.gz RJVBOTJYEZQPJY-GOSISDBHSA-N 2 0 330.501 3.004 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000348107781 456486898 /nfs/dbraw/zinc/48/68/98/456486898.db2.gz REYNVFMWVVGPPW-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP Cc1ccoc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000343270207 456498483 /nfs/dbraw/zinc/49/84/83/456498483.db2.gz MPWFXUPEKQZUGF-LJQANCHMSA-N 2 0 327.472 3.056 20 0 EGADRP CCOC(CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)OCC ZINC000276497622 456498933 /nfs/dbraw/zinc/49/89/33/456498933.db2.gz IXANCNXRADYIOT-MRXNPFEDSA-N 2 0 338.492 3.067 20 0 EGADRP c1coc(CCC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000657780133 462263132 /nfs/dbraw/zinc/26/31/32/462263132.db2.gz MIKVZKOVSOPDCE-UHFFFAOYSA-N 2 0 328.456 3.477 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cn(C(C)(C)C)nn1 ZINC000276644795 456540451 /nfs/dbraw/zinc/54/04/51/456540451.db2.gz RRADYWMCZHZYRT-APWZRJJASA-N 2 0 341.503 3.033 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000343345684 456547453 /nfs/dbraw/zinc/54/74/53/456547453.db2.gz DXKHUUXVNBSOKE-SFHVURJKSA-N 2 0 343.515 3.133 20 0 EGADRP CSC1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000353186401 456547522 /nfs/dbraw/zinc/54/75/22/456547522.db2.gz FBSILONUMAIGEA-UHFFFAOYSA-N 2 0 348.491 3.133 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298887963 456562384 /nfs/dbraw/zinc/56/23/84/456562384.db2.gz KXDKXNKZOBZKTB-HZPDHXFCSA-N 2 0 347.478 3.397 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298914728 456568140 /nfs/dbraw/zinc/56/81/40/456568140.db2.gz NGINXDRKNZPNNG-CVEARBPZSA-N 2 0 347.478 3.397 20 0 EGADRP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309740642 456575568 /nfs/dbraw/zinc/57/55/68/456575568.db2.gz RRJNGMXLXURMQG-SFHVURJKSA-N 2 0 347.503 3.013 20 0 EGADRP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000348258413 456576329 /nfs/dbraw/zinc/57/63/29/456576329.db2.gz KCAOMVMNRRCJJZ-SFTDATJTSA-N 2 0 341.543 3.330 20 0 EGADRP Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(-c2cnn(C)c2)c1 ZINC000282655399 456582162 /nfs/dbraw/zinc/58/21/62/456582162.db2.gz MJNOWZDTZVQCRE-UHFFFAOYSA-N 2 0 338.499 3.360 20 0 EGADRP COC(=O)C1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310934588 456585213 /nfs/dbraw/zinc/58/52/13/456585213.db2.gz IDSRSPQVJOXAPH-VHBXLISGSA-N 2 0 344.499 3.218 20 0 EGADRP COCCCn1nccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000282722487 456603379 /nfs/dbraw/zinc/60/33/79/456603379.db2.gz RVUSGLRMYABFIY-UHFFFAOYSA-N 2 0 344.503 3.050 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000343438574 456621455 /nfs/dbraw/zinc/62/14/55/456621455.db2.gz FPSDQELLZPYJDP-VAMGGRTRSA-N 2 0 344.547 3.032 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000348323129 456622515 /nfs/dbraw/zinc/62/25/15/456622515.db2.gz JJKSHEBZRLMBKZ-VDGAXYAQSA-N 2 0 333.520 3.006 20 0 EGADRP CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000340689529 456628055 /nfs/dbraw/zinc/62/80/55/456628055.db2.gz HTZJPTNPWNJJCP-GOSISDBHSA-N 2 0 347.528 3.048 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000338112303 456664750 /nfs/dbraw/zinc/66/47/50/456664750.db2.gz LBBCFWCLYVOYOY-BZSNNMDCSA-N 2 0 345.531 3.406 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000324620807 456671545 /nfs/dbraw/zinc/67/15/45/456671545.db2.gz RDXJNVSUGYXEBI-SFHVURJKSA-N 2 0 335.536 3.071 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000277171126 456706515 /nfs/dbraw/zinc/70/65/15/456706515.db2.gz KRYLENVLFSOWKX-AWEZNQCLSA-N 2 0 333.432 3.298 20 0 EGADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000343569432 456712057 /nfs/dbraw/zinc/71/20/57/456712057.db2.gz KLKJVAHTUBVRQK-QGZVFWFLSA-N 2 0 338.517 3.180 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000283194080 456732805 /nfs/dbraw/zinc/73/28/05/456732805.db2.gz KVXGNYVIDDWKCA-CWFSZBLJSA-N 2 0 342.483 3.242 20 0 EGADRP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]C1CCC(O)CC1 ZINC000353524201 456735557 /nfs/dbraw/zinc/73/55/57/456735557.db2.gz ZWJQZNYYCMFDAD-MHJFOBGBSA-N 2 0 330.516 3.353 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cc1)C(C)C ZINC000299621774 456746566 /nfs/dbraw/zinc/74/65/66/456746566.db2.gz DWYLWHJGEBGZLY-UXHICEINSA-N 2 0 343.515 3.274 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000353545354 456748954 /nfs/dbraw/zinc/74/89/54/456748954.db2.gz LXFSVOKYRRULHR-UWJYYQICSA-N 2 0 345.506 3.377 20 0 EGADRP C[C@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343692111 456767174 /nfs/dbraw/zinc/76/71/74/456767174.db2.gz AQWYUPLXAKAJOG-KKSFZXQISA-N 2 0 345.506 3.303 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C3CCN(CC(F)F)CC3)CC2)CC1 ZINC000341365679 456857112 /nfs/dbraw/zinc/85/71/12/456857112.db2.gz WSADSODOYIWFEL-UHFFFAOYSA-N 2 0 343.506 3.349 20 0 EGADRP CC(C)c1nccn1CCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000745 456892697 /nfs/dbraw/zinc/89/26/97/456892697.db2.gz JPCMTZBDIMLYIQ-FGTMMUONSA-N 2 0 346.519 3.260 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000345016331 456897973 /nfs/dbraw/zinc/89/79/73/456897973.db2.gz JIAKYKYKNDUKRX-WSTZPKSXSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000353880644 456948357 /nfs/dbraw/zinc/94/83/57/456948357.db2.gz JTQKPATVJXYXRJ-KXBFYZLASA-N 2 0 342.487 3.162 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000349350959 456949756 /nfs/dbraw/zinc/94/97/56/456949756.db2.gz PXEFAIXBCDDLST-UHFFFAOYSA-N 2 0 348.443 3.002 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353948400 456976136 /nfs/dbraw/zinc/97/61/36/456976136.db2.gz UMRALOBIEUNAFJ-OLZOCXBDSA-N 2 0 344.377 3.310 20 0 EGADRP CCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971121 456984208 /nfs/dbraw/zinc/98/42/08/456984208.db2.gz IGELWSAVSVCKFM-PKOBYXMFSA-N 2 0 333.520 3.152 20 0 EGADRP CCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986161 456990136 /nfs/dbraw/zinc/99/01/36/456990136.db2.gz HGCWZTGONNGAAP-IEBWSBKVSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1nccn1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346275563 457028596 /nfs/dbraw/zinc/02/85/96/457028596.db2.gz KZFFRFWJUASJER-NRFANRHFSA-N 3 0 338.499 3.180 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000354099206 457061571 /nfs/dbraw/zinc/06/15/71/457061571.db2.gz BXZGREXTQJTHGY-QGZVFWFLSA-N 2 0 342.430 3.221 20 0 EGADRP COc1cc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000346593366 457064675 /nfs/dbraw/zinc/06/46/75/457064675.db2.gz BMDICCAFLOIPEC-IRXDYDNUSA-N 2 0 339.483 3.336 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC[NH+](C(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000339390795 457088050 /nfs/dbraw/zinc/08/80/50/457088050.db2.gz HPDHZDCVCWPHTC-WOJBJXKFSA-N 2 0 345.531 3.134 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)CCC2 ZINC000359525917 457092655 /nfs/dbraw/zinc/09/26/55/457092655.db2.gz SXSJMSGVWFRULO-ICSRJNTNSA-N 2 0 332.488 3.019 20 0 EGADRP Cc1ccc(CCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000339410360 457097373 /nfs/dbraw/zinc/09/73/73/457097373.db2.gz RIPZWSXFNLKZTN-NRFANRHFSA-N 2 0 338.499 3.362 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000342085338 457099458 /nfs/dbraw/zinc/09/94/58/457099458.db2.gz MSBOEWBUSOITRG-DAXOMENPSA-N 2 0 328.378 3.143 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCOCC3)CC2)c1 ZINC000356672784 457112820 /nfs/dbraw/zinc/11/28/20/457112820.db2.gz IFQNRXCMALKOMF-FQEVSTJZSA-N 2 0 345.531 3.056 20 0 EGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000346694553 457115926 /nfs/dbraw/zinc/11/59/26/457115926.db2.gz UVBQFOUPMGGQIB-HXUWFJFHSA-N 2 0 327.472 3.466 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@H]21 ZINC000342141441 457132183 /nfs/dbraw/zinc/13/21/83/457132183.db2.gz VAUXSQXWSSDRMJ-CEWLAPEOSA-N 2 0 349.478 3.498 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]21 ZINC000342141448 457132701 /nfs/dbraw/zinc/13/27/01/457132701.db2.gz VAUXSQXWSSDRMJ-SESVDKBCSA-N 2 0 349.478 3.498 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)C[C@@H]1C ZINC000354209667 457133888 /nfs/dbraw/zinc/13/38/88/457133888.db2.gz RENSFQVQNWGUJD-GJZGRUSLSA-N 2 0 337.895 3.473 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CNc3cc4c(c[nH+]3)CCC4)sc2C1 ZINC000339556947 457142900 /nfs/dbraw/zinc/14/29/00/457142900.db2.gz ZDGBZXQLHAUKCT-UHFFFAOYSA-N 2 0 328.485 3.405 20 0 EGADRP COc1ccc(C2([NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000346742710 457143236 /nfs/dbraw/zinc/14/32/36/457143236.db2.gz XZDYOSNNFLOIDI-UHFFFAOYSA-N 2 0 337.467 3.334 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360005814 457197971 /nfs/dbraw/zinc/19/79/71/457197971.db2.gz VBMNEKGRNFOQSL-UHFFFAOYSA-N 2 0 332.488 3.054 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000347067609 457213941 /nfs/dbraw/zinc/21/39/41/457213941.db2.gz NEIWXYPDDIUABA-SFHVURJKSA-N 2 0 328.435 3.180 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000354444839 457227056 /nfs/dbraw/zinc/22/70/56/457227056.db2.gz YJTBHHCAFNWWDM-AOIWGVFYSA-N 2 0 343.515 3.059 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000339802932 457278739 /nfs/dbraw/zinc/27/87/39/457278739.db2.gz IGMZDKPEGFGXPQ-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000357074118 457308556 /nfs/dbraw/zinc/30/85/56/457308556.db2.gz FPIMKSXUTXBQFB-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CSc1ccccc1NC(=O)CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357074708 457309006 /nfs/dbraw/zinc/30/90/06/457309006.db2.gz ILGXJOGZLHRXAA-INIZCTEOSA-N 2 0 347.528 3.059 20 0 EGADRP Fc1ccccc1-c1cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000357087737 457315863 /nfs/dbraw/zinc/31/58/63/457315863.db2.gz WQVYTEPPAPBFKQ-OAHLLOKOSA-N 2 0 329.419 3.302 20 0 EGADRP Cc1csc(N2CCC([NH2+]C3CC[NH+](CC(C)C)CC3)CC2)n1 ZINC000363498255 457347670 /nfs/dbraw/zinc/34/76/70/457347670.db2.gz DONLGMCBGIFHGJ-UHFFFAOYSA-N 2 0 336.549 3.130 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000355406066 457370790 /nfs/dbraw/zinc/37/07/90/457370790.db2.gz BYKOAMQVVYBBBV-IYBDPMFKSA-N 2 0 344.503 3.004 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382693687 457423351 /nfs/dbraw/zinc/42/33/51/457423351.db2.gz IWTOBYAQWVBNBL-QUCCMNQESA-N 2 0 345.531 3.121 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@H]3CC[NH3+])n2)cc1F ZINC000352509897 457427455 /nfs/dbraw/zinc/42/74/55/457427455.db2.gz LYHFPMINLQEOQF-INIZCTEOSA-N 2 0 346.450 3.320 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352539928 457450688 /nfs/dbraw/zinc/45/06/88/457450688.db2.gz FCILAACKQWNOIF-IBGZPJMESA-N 2 0 325.456 3.461 20 0 EGADRP CN(CC[N@H+](C)Cc1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC000347479540 457454749 /nfs/dbraw/zinc/45/47/49/457454749.db2.gz CHNALWYINMXSKY-UHFFFAOYSA-N 2 0 331.529 3.359 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360987561 457491663 /nfs/dbraw/zinc/49/16/63/457491663.db2.gz QYIBCQMDWKYPLZ-OKILXGFUSA-N 2 0 328.451 3.205 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000398041131 457494121 /nfs/dbraw/zinc/49/41/21/457494121.db2.gz RXWFALASUMRVCW-YJBOKZPZSA-N 2 0 332.879 3.037 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399103390 457506682 /nfs/dbraw/zinc/50/66/82/457506682.db2.gz WNOATBILOKDZHZ-NVXWUHKLSA-N 2 0 339.524 3.237 20 0 EGADRP Cc1nccn1CCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347579615 457522932 /nfs/dbraw/zinc/52/29/32/457522932.db2.gz JZTNOQPVFGQMQX-QZTJIDSGSA-N 2 0 326.488 3.176 20 0 EGADRP CC[N@H+](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000352688250 457532338 /nfs/dbraw/zinc/53/23/38/457532338.db2.gz WAFYPBCUASJJPK-PKOBYXMFSA-N 2 0 348.535 3.016 20 0 EGADRP CC(C)[N@@H+]1CCc2nc(CN3CC(C)(C)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000356254961 457552175 /nfs/dbraw/zinc/55/21/75/457552175.db2.gz HQVGNCJRECXSER-MAUKXSAKSA-N 2 0 349.544 3.299 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000364346420 457571123 /nfs/dbraw/zinc/57/11/23/457571123.db2.gz YXZWYFCJINIXTK-IOMROCGXSA-N 2 0 330.516 3.223 20 0 EGADRP Cc1noc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000408521395 457578226 /nfs/dbraw/zinc/57/82/26/457578226.db2.gz SDJLVEFEZPXBSE-LJQANCHMSA-N 2 0 340.471 3.353 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000410088037 457628977 /nfs/dbraw/zinc/62/89/77/457628977.db2.gz JMYUYMKOYIJQRB-YADHBBJMSA-N 2 0 338.495 3.310 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000361217227 457649107 /nfs/dbraw/zinc/64/91/07/457649107.db2.gz QGONFORSMLUHGC-ZWKOTPCHSA-N 2 0 338.499 3.035 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1)C(C)C ZINC000374622470 457674904 /nfs/dbraw/zinc/67/49/04/457674904.db2.gz LHIWWUSILHAWEK-ZCNNSNEGSA-N 2 0 343.515 3.116 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(Cl)c1 ZINC000370633033 457687361 /nfs/dbraw/zinc/68/73/61/457687361.db2.gz FIPABVLOXWRWEC-HIFRSBDPSA-N 2 0 339.886 3.298 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000357842531 457708175 /nfs/dbraw/zinc/70/81/75/457708175.db2.gz BLOXMPUNVQNHGI-UMVBOHGHSA-N 2 0 345.409 3.188 20 0 EGADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(CO)CC(c3ccccc3)C2)CC1 ZINC000433072327 457750165 /nfs/dbraw/zinc/75/01/65/457750165.db2.gz AXSUWVGTQBPSKY-UHFFFAOYSA-N 2 0 330.516 3.395 20 0 EGADRP CC1(C)CC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000433139777 457764747 /nfs/dbraw/zinc/76/47/47/457764747.db2.gz YRBOIUGMUGLTFV-UHFFFAOYSA-N 2 0 329.532 3.363 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000433144256 457764897 /nfs/dbraw/zinc/76/48/97/457764897.db2.gz BNXLRQFWTMCACH-SFHVURJKSA-N 2 0 349.906 3.207 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N(Cc2ccccc2)CC2CCC2)CC1 ZINC000433148194 457766109 /nfs/dbraw/zinc/76/61/09/457766109.db2.gz GBBWLSOKJGSRQX-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP C[N@H+](CCOc1cccc(C[NH2+]C2CC(C)(C)C2)c1)C1CCOCC1 ZINC000433177560 457769698 /nfs/dbraw/zinc/76/96/98/457769698.db2.gz QXNDGZXXLMVNLW-UHFFFAOYSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000361611552 457804972 /nfs/dbraw/zinc/80/49/72/457804972.db2.gz SOODPTZAVDRXEF-IEBWSBKVSA-N 2 0 343.515 3.237 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000433349499 457817425 /nfs/dbraw/zinc/81/74/25/457817425.db2.gz CLHXFNAKPPRFCZ-MSOLQXFVSA-N 2 0 333.520 3.162 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000375235393 457843291 /nfs/dbraw/zinc/84/32/91/457843291.db2.gz AUSPUJVMGCVCCM-IBGZPJMESA-N 2 0 329.532 3.406 20 0 EGADRP Cn1cc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000411277528 457848613 /nfs/dbraw/zinc/84/86/13/457848613.db2.gz WWQUAARQGGDGLQ-HXUWFJFHSA-N 2 0 338.499 3.396 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444177230 457864619 /nfs/dbraw/zinc/86/46/19/457864619.db2.gz TXMJCSYANMFKDG-MRXNPFEDSA-N 2 0 335.467 3.269 20 0 EGADRP CCOCCO[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411396629 457873363 /nfs/dbraw/zinc/87/33/63/457873363.db2.gz KAQAPQGJLARRKI-NRFANRHFSA-N 2 0 346.515 3.300 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257630 457892839 /nfs/dbraw/zinc/89/28/39/457892839.db2.gz SFSWIGIMHOYXBM-OXQOHEQNSA-N 2 0 326.440 3.196 20 0 EGADRP CCc1ccc(C(C)(C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411471677 457895824 /nfs/dbraw/zinc/89/58/24/457895824.db2.gz LNRRWUAWAOYJPX-UHFFFAOYSA-N 2 0 345.531 3.063 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516487 457909848 /nfs/dbraw/zinc/90/98/48/457909848.db2.gz KCTQVOQHOZCBBO-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]1C[N@H+](CCSC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375599380 457983854 /nfs/dbraw/zinc/98/38/54/457983854.db2.gz QEWIEBPWFMEXND-HKUYNNGSSA-N 2 0 339.593 3.010 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)c1 ZINC000427541606 457999547 /nfs/dbraw/zinc/99/95/47/457999547.db2.gz QTFKAXHBGSASSV-SFHVURJKSA-N 2 0 340.471 3.407 20 0 EGADRP CC[N@H+](C)CCN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458099926 /nfs/dbraw/zinc/09/99/26/458099926.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C[N@@H+]1C1CC1 ZINC000412179082 458118630 /nfs/dbraw/zinc/11/86/30/458118630.db2.gz UJVWVHBDTCEIBY-APWZRJJASA-N 2 0 341.499 3.028 20 0 EGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435370309 458122089 /nfs/dbraw/zinc/12/20/89/458122089.db2.gz ICFQFXKJZXLZML-WMZOPIPTSA-N 2 0 340.515 3.398 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435385851 458132587 /nfs/dbraw/zinc/13/25/87/458132587.db2.gz RVCHTEJMELCWGY-SJLPKXTDSA-N 2 0 325.456 3.220 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000358700745 458158734 /nfs/dbraw/zinc/15/87/34/458158734.db2.gz XKMVDUBJBFMAMO-PKOBYXMFSA-N 2 0 343.515 3.288 20 0 EGADRP Fc1cccc(OCCN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435623681 458174111 /nfs/dbraw/zinc/17/41/11/458174111.db2.gz CXXYBBYEVZMXJX-IBGZPJMESA-N 2 0 343.446 3.244 20 0 EGADRP C[C@@H](NC(=O)CN(C)[C@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626367 458176961 /nfs/dbraw/zinc/17/69/61/458176961.db2.gz ODVIHWXUJRYCHR-AEFFLSMTSA-N 2 0 339.483 3.091 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412356572 458179370 /nfs/dbraw/zinc/17/93/70/458179370.db2.gz LJXYXSIKCKZXBQ-KRWDZBQOSA-N 2 0 331.504 3.131 20 0 EGADRP C[NH2+]CCCN1CCC[C@@H]1c1ccccc1I ZINC000435886080 458217838 /nfs/dbraw/zinc/21/78/38/458217838.db2.gz RVQSKKIRBYHGFV-CQSZACIVSA-N 2 0 344.240 3.038 20 0 EGADRP Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000376210812 458235987 /nfs/dbraw/zinc/23/59/87/458235987.db2.gz LWSVVBIOVCNGQQ-OXQOHEQNSA-N 2 0 338.499 3.005 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000369561689 458267292 /nfs/dbraw/zinc/26/72/92/458267292.db2.gz PFJXAZABLKTSFB-QYZOEREBSA-N 2 0 332.536 3.404 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C[C@H](C)O1 ZINC000436244880 458275639 /nfs/dbraw/zinc/27/56/39/458275639.db2.gz SFABASQGIZHJBH-GJZGRUSLSA-N 2 0 333.451 3.286 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429183118 458288673 /nfs/dbraw/zinc/28/86/73/458288673.db2.gz DZZZJWCTUMFUGG-HXUWFJFHSA-N 2 0 331.504 3.164 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC000447561279 458311814 /nfs/dbraw/zinc/31/18/14/458311814.db2.gz HHUSSULXCXMOKE-LEWJYISDSA-N 2 0 329.532 3.488 20 0 EGADRP COCCOc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369704870 458320765 /nfs/dbraw/zinc/32/07/65/458320765.db2.gz SINNSYHFXDCOQC-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CC[C@@H](CNC1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000459389183 458355953 /nfs/dbraw/zinc/35/59/53/458355953.db2.gz MOXICVAFVXOKTP-FQEVSTJZSA-N 2 0 327.516 3.040 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459459956 458378366 /nfs/dbraw/zinc/37/83/66/458378366.db2.gz HZHQCWSKULPHOU-UHFFFAOYSA-N 2 0 347.466 3.334 20 0 EGADRP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000376766773 458386333 /nfs/dbraw/zinc/38/63/33/458386333.db2.gz GFQYKTNMEBILHJ-UHFFFAOYSA-N 2 0 341.455 3.465 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2Cc3ccccc3N(C)C[C@H]2C)cc1 ZINC000420313457 458398556 /nfs/dbraw/zinc/39/85/56/458398556.db2.gz JCIWQNRHFGNVKV-VQIMIIECSA-N 2 0 339.483 3.078 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H]2CCC[C@H]21 ZINC000423452540 458435464 /nfs/dbraw/zinc/43/54/64/458435464.db2.gz ZAEGOCCDUWRHTD-DZJNRPSUSA-N 2 0 329.488 3.333 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(F)cc1 ZINC000423456429 458435633 /nfs/dbraw/zinc/43/56/33/458435633.db2.gz GWCBITICOKRYIY-JLJPHGGASA-N 2 0 330.451 3.488 20 0 EGADRP CCOc1cccc2cc([C@H](C)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)oc21 ZINC000373224356 458435721 /nfs/dbraw/zinc/43/57/21/458435721.db2.gz SLPUSOCSIJJBTQ-XIRDDKMYSA-N 2 0 344.455 3.345 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423462267 458436559 /nfs/dbraw/zinc/43/65/59/458436559.db2.gz DIRVSVJBADNQDA-RRQGHBQHSA-N 2 0 332.879 3.270 20 0 EGADRP Fc1ccccc1C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423486765 458441564 /nfs/dbraw/zinc/44/15/64/458441564.db2.gz CDYVQBWNBCZUOX-UYAOXDASSA-N 2 0 328.431 3.078 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423505049 458446277 /nfs/dbraw/zinc/44/62/77/458446277.db2.gz HBOMAXOZGDQZDX-XYEHWOGUSA-N 2 0 341.543 3.375 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)C3)cc1 ZINC000377077288 458455857 /nfs/dbraw/zinc/45/58/57/458455857.db2.gz KEBQJGCZIHNARG-HGJUEJDCSA-N 2 0 326.484 3.339 20 0 EGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000423580117 458459196 /nfs/dbraw/zinc/45/91/96/458459196.db2.gz XGMKWSJSVRTVCG-KRWDZBQOSA-N 2 0 341.474 3.470 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430571992 458464054 /nfs/dbraw/zinc/46/40/54/458464054.db2.gz OVRJNMQZSOXARE-RDJZCZTQSA-N 2 0 325.456 3.228 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000430577268 458465176 /nfs/dbraw/zinc/46/51/76/458465176.db2.gz YZTLJFBWGRMLKK-UHFFFAOYSA-N 2 0 325.456 3.100 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000459743106 458465897 /nfs/dbraw/zinc/46/58/97/458465897.db2.gz WENQITLESJNQFF-SFHVURJKSA-N 2 0 339.483 3.482 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586062 458466033 /nfs/dbraw/zinc/46/60/33/458466033.db2.gz XXDKBEZKEUTCJZ-RYRKJORJSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459774559 458475797 /nfs/dbraw/zinc/47/57/97/458475797.db2.gz JFMCOSQRLVEBRT-JBACZVJFSA-N 3 0 329.532 3.219 20 0 EGADRP CC(C)n1nccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373427131 458490294 /nfs/dbraw/zinc/49/02/94/458490294.db2.gz PDMVJSZDBXOOIK-HDICACEKSA-N 2 0 348.535 3.175 20 0 EGADRP [NH3+]C[C@H]1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916374 458503715 /nfs/dbraw/zinc/50/37/15/458503715.db2.gz AFVDJIPRTQAHAR-QAPCUYQASA-N 2 0 334.423 3.107 20 0 EGADRP COc1cccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)c1 ZINC000430916197 458503744 /nfs/dbraw/zinc/50/37/44/458503744.db2.gz GSAFEGKBFUCGIW-ZDUSSCGKSA-N 2 0 331.485 3.378 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000430927415 458506439 /nfs/dbraw/zinc/50/64/39/458506439.db2.gz QLJPBPRCFMEDDI-INIZCTEOSA-N 2 0 337.467 3.498 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000430937517 458508062 /nfs/dbraw/zinc/50/80/62/458508062.db2.gz CJHVRQGLOKPXPW-RYUDHWBXSA-N 2 0 343.393 3.092 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430967354 458512540 /nfs/dbraw/zinc/51/25/40/458512540.db2.gz SHLKBFCNYOKNID-LBPRGKRZSA-N 2 0 334.851 3.382 20 0 EGADRP Cc1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000468396318 458514951 /nfs/dbraw/zinc/51/49/51/458514951.db2.gz VSPPYIWGSYFGGO-VQIMIIECSA-N 2 0 335.923 3.106 20 0 EGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000431013402 458516301 /nfs/dbraw/zinc/51/63/01/458516301.db2.gz FIVJRFXIURLIIU-INIZCTEOSA-N 2 0 345.487 3.007 20 0 EGADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)Cc1ccccc1 ZINC000468776362 458535939 /nfs/dbraw/zinc/53/59/39/458535939.db2.gz AYRNXYDXONLYIQ-TYPHKJRUSA-N 2 0 331.548 3.259 20 0 EGADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000424271925 458599275 /nfs/dbraw/zinc/59/92/75/458599275.db2.gz STRRTGPUUXZCNK-PBPGXSGUSA-N 2 0 344.499 3.350 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000469979801 458604489 /nfs/dbraw/zinc/60/44/89/458604489.db2.gz ABCKIQVMSZMCKS-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302469 458610575 /nfs/dbraw/zinc/61/05/75/458610575.db2.gz ZOPXTDZHAQEKLM-OAHLLOKOSA-N 2 0 330.472 3.252 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431746267 458616168 /nfs/dbraw/zinc/61/61/68/458616168.db2.gz TXVODQNFSZOLPN-AJYBTWMASA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431746524 458616779 /nfs/dbraw/zinc/61/67/79/458616779.db2.gz UVPXRJRFYUALGN-LMMKCTJWSA-N 2 0 335.536 3.020 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000431772183 458621363 /nfs/dbraw/zinc/62/13/63/458621363.db2.gz YLRZRDSWXNWHNR-HXUWFJFHSA-N 2 0 347.547 3.260 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cnn(Cc3ccc(F)cc3)c1)CC[NH2+]CC2 ZINC000424381895 458630098 /nfs/dbraw/zinc/63/00/98/458630098.db2.gz RHZLLDQFXSAASG-INIZCTEOSA-N 2 0 342.462 3.035 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnn(Cc3ccc(F)cc3)c1)CC[NH2+]CC2 ZINC000424381899 458630304 /nfs/dbraw/zinc/63/03/04/458630304.db2.gz RHZLLDQFXSAASG-MRXNPFEDSA-N 2 0 342.462 3.035 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000424424919 458639816 /nfs/dbraw/zinc/63/98/16/458639816.db2.gz IXAIGYHYBJFPTC-KXBFYZLASA-N 2 0 340.471 3.267 20 0 EGADRP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000462680031 458641275 /nfs/dbraw/zinc/64/12/75/458641275.db2.gz IPRCAKHDMUCPMS-GHTZIAJQSA-N 2 0 329.532 3.492 20 0 EGADRP CCc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470966598 458672189 /nfs/dbraw/zinc/67/21/89/458672189.db2.gz JZEUZMQECFRFGI-APWZRJJASA-N 2 0 343.515 3.240 20 0 EGADRP CC(C)O[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000463038594 458672566 /nfs/dbraw/zinc/67/25/66/458672566.db2.gz YEOTVLNUBBCQNY-PMACEKPBSA-N 2 0 348.531 3.351 20 0 EGADRP C[C@@H]([C@@H]1CCC[NH2+]C1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530210304 458716815 /nfs/dbraw/zinc/71/68/15/458716815.db2.gz JFCOONBPCXBEKU-MAUKXSAKSA-N 2 0 346.519 3.370 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000503927245 458729548 /nfs/dbraw/zinc/72/95/48/458729548.db2.gz HYWFOCRIAXJFNG-HDICACEKSA-N 2 0 340.556 3.010 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000530248994 458730580 /nfs/dbraw/zinc/73/05/80/458730580.db2.gz SAWWVCONVYSDCS-GOSISDBHSA-N 2 0 344.455 3.032 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471839628 458740333 /nfs/dbraw/zinc/74/03/33/458740333.db2.gz YLZOMHYUGWYVMG-AZUAARDMSA-N 2 0 327.472 3.464 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCc2cncn2C)cnn1-c1cc(C)ccc1C ZINC000530355000 458753079 /nfs/dbraw/zinc/75/30/79/458753079.db2.gz RNLAFAZGIIJMQI-INIZCTEOSA-N 2 0 337.471 3.424 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495337096 458838300 /nfs/dbraw/zinc/83/83/00/458838300.db2.gz OXPFYZKWUWTXDI-LJQANCHMSA-N 2 0 339.524 3.051 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495392947 458848328 /nfs/dbraw/zinc/84/83/28/458848328.db2.gz IQDCEOXEYFEVRD-UHFFFAOYSA-N 2 0 341.540 3.342 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000519144146 458919132 /nfs/dbraw/zinc/91/91/32/458919132.db2.gz LEJLFUNZGNEZBG-OAHLLOKOSA-N 2 0 335.467 3.317 20 0 EGADRP CN1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556173478 458933694 /nfs/dbraw/zinc/93/36/94/458933694.db2.gz VGWKOUVNMBYCDM-BDTNDASRSA-N 2 0 338.495 3.405 20 0 EGADRP CN1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556173482 458934186 /nfs/dbraw/zinc/93/41/86/458934186.db2.gz VGWKOUVNMBYCDM-FKBYEOEOSA-N 2 0 338.495 3.405 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H]([NH2+]CCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000475500451 458947625 /nfs/dbraw/zinc/94/76/25/458947625.db2.gz BQRHIPOZCLKPRO-YPAWHYETSA-N 2 0 339.527 3.139 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000531899717 458996929 /nfs/dbraw/zinc/99/69/29/458996929.db2.gz MYJCWOVYRYMYIF-MJGOQNOKSA-N 2 0 337.552 3.076 20 0 EGADRP CN(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924635 459022235 /nfs/dbraw/zinc/02/22/35/459022235.db2.gz RZSYANTXFFPPLW-ROUUACIJSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@@]1(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC[NH2+]C1 ZINC000496039796 459046224 /nfs/dbraw/zinc/04/62/24/459046224.db2.gz BIKSHRNJMDRXAW-FXAWDEMLSA-N 2 0 345.487 3.019 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532204856 459047333 /nfs/dbraw/zinc/04/73/33/459047333.db2.gz RRMLXDLAEYPRKE-AWEZNQCLSA-N 2 0 327.472 3.239 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000532216278 459048337 /nfs/dbraw/zinc/04/83/37/459048337.db2.gz NDTNYSXZDLUAFE-CTNGQTDRSA-N 2 0 330.516 3.346 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc2c(s1)CCCC2 ZINC000442873677 459048958 /nfs/dbraw/zinc/04/89/58/459048958.db2.gz KYLAZLNCJNSUMY-OAHLLOKOSA-N 2 0 335.561 3.304 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1(C)C ZINC000442878165 459049499 /nfs/dbraw/zinc/04/94/99/459049499.db2.gz SNWUYDZCLIMAFL-SFHVURJKSA-N 2 0 335.923 3.333 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000532227185 459050827 /nfs/dbraw/zinc/05/08/27/459050827.db2.gz BMYRGVGHJKILTB-VQTJNVASSA-N 2 0 336.495 3.075 20 0 EGADRP Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000532248233 459053626 /nfs/dbraw/zinc/05/36/26/459053626.db2.gz MFDHKBQJRCCBNE-UTKZUKDTSA-N 2 0 342.483 3.320 20 0 EGADRP COc1c(C)nc(C2CC2)nc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000567203717 459062900 /nfs/dbraw/zinc/06/29/00/459062900.db2.gz CHNCNZZGHSPELM-UHFFFAOYSA-N 2 0 330.476 3.126 20 0 EGADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056841 459079991 /nfs/dbraw/zinc/07/99/91/459079991.db2.gz DJYAFHQXJJACGU-JKSUJKDBSA-N 2 0 343.471 3.013 20 0 EGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443058452 459080005 /nfs/dbraw/zinc/08/00/05/459080005.db2.gz AFEQYCUGCOKVGL-IRXDYDNUSA-N 2 0 339.483 3.078 20 0 EGADRP CC(C)[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000532449811 459090939 /nfs/dbraw/zinc/09/09/39/459090939.db2.gz KXFIBBWDEUOROX-SFTDATJTSA-N 2 0 329.532 3.389 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000577859707 459108418 /nfs/dbraw/zinc/10/84/18/459108418.db2.gz HQZJORQBELQAFI-CQSZACIVSA-N 2 0 339.430 3.003 20 0 EGADRP CC(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000594612436 459113560 /nfs/dbraw/zinc/11/35/60/459113560.db2.gz KOKXIGRKRMBVJP-SFHVURJKSA-N 2 0 347.503 3.254 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000521033195 459114407 /nfs/dbraw/zinc/11/44/07/459114407.db2.gz YXLNKADGBITWGQ-HXUWFJFHSA-N 2 0 343.515 3.236 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)ccc1F ZINC000479054002 459120067 /nfs/dbraw/zinc/12/00/67/459120067.db2.gz CLNOGKZVLJKMEG-LJQANCHMSA-N 2 0 339.474 3.279 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)c(Br)c1 ZINC000567639145 459138819 /nfs/dbraw/zinc/13/88/19/459138819.db2.gz YLHMISKLYRPVCN-NSHDSACASA-N 2 0 327.266 3.108 20 0 EGADRP CC(C)C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000521380190 459144986 /nfs/dbraw/zinc/14/49/86/459144986.db2.gz OCOAXPORZDICHE-MJGOQNOKSA-N 2 0 333.520 3.208 20 0 EGADRP CC(C)[C@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000480535961 459203886 /nfs/dbraw/zinc/20/38/86/459203886.db2.gz AWVIRWTZFWWNDP-NQIIRXRSSA-N 2 0 347.547 3.398 20 0 EGADRP C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1ccnc1 ZINC000578538036 459219439 /nfs/dbraw/zinc/21/94/39/459219439.db2.gz NMHPFWCPCRNRCH-AOIWGVFYSA-N 2 0 340.471 3.004 20 0 EGADRP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1ccnc1 ZINC000578538039 459220167 /nfs/dbraw/zinc/22/01/67/459220167.db2.gz NMHPFWCPCRNRCH-ZIFCJYIRSA-N 2 0 340.471 3.004 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000590798742 459224124 /nfs/dbraw/zinc/22/41/24/459224124.db2.gz XBZDVJBGTVQYCL-UHFFFAOYSA-N 2 0 338.455 3.183 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000481031222 459229896 /nfs/dbraw/zinc/22/98/96/459229896.db2.gz CDWWSPJLXJZJOO-CABCVRRESA-N 2 0 329.488 3.299 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481050087 459231034 /nfs/dbraw/zinc/23/10/34/459231034.db2.gz MVNDBAPBVONSFK-MAUKXSAKSA-N 2 0 336.907 3.318 20 0 EGADRP CC1(C)CC[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc21 ZINC000578640466 459234605 /nfs/dbraw/zinc/23/46/05/459234605.db2.gz XBUCRQXIVORTBL-KRWDZBQOSA-N 2 0 339.487 3.174 20 0 EGADRP CC[NH+](Cc1c(C[N@@H+](CC)C2CC2)cccc1C(=O)OC)C1CC1 ZINC000595294817 459268818 /nfs/dbraw/zinc/26/88/18/459268818.db2.gz GPPLMDNMTCGDJK-UHFFFAOYSA-N 2 0 330.472 3.442 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000533785419 459268944 /nfs/dbraw/zinc/26/89/44/459268944.db2.gz MSFLOIPACHGRDY-SJORKVTESA-N 2 0 335.561 3.333 20 0 EGADRP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000559763687 459276230 /nfs/dbraw/zinc/27/62/30/459276230.db2.gz USLCKTFCIXUNHZ-KRWDZBQOSA-N 2 0 342.405 3.392 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC=C(C)CC3)cc2)CC1 ZINC000559893348 459283823 /nfs/dbraw/zinc/28/38/23/459283823.db2.gz ITTQLAIPJRWIBE-OAQYLSRUSA-N 2 0 327.516 3.413 20 0 EGADRP CC(C)c1[nH+]c(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2ccccn21 ZINC000568634238 459320833 /nfs/dbraw/zinc/32/08/33/459320833.db2.gz HCMCGYSUCYZBFK-SJLPKXTDSA-N 2 0 326.488 3.374 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000591161300 459325651 /nfs/dbraw/zinc/32/56/51/459325651.db2.gz XRCZNQMDXFHORR-UXHICEINSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000582242248 459332687 /nfs/dbraw/zinc/33/26/87/459332687.db2.gz QYTBUSLXYNWTLD-GOSISDBHSA-N 2 0 325.412 3.479 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000484124505 459406920 /nfs/dbraw/zinc/40/69/20/459406920.db2.gz ZHRWYJMQSJLKJA-GOSISDBHSA-N 2 0 347.547 3.118 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000569208543 459413569 /nfs/dbraw/zinc/41/35/69/459413569.db2.gz BPASLOXRWCNGJT-UHFFFAOYSA-N 2 0 344.543 3.472 20 0 EGADRP Cc1nc2c(c(N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n1)CCCC2 ZINC000541090878 459426453 /nfs/dbraw/zinc/42/64/53/459426453.db2.gz WCNWXVGNXIAOMX-HOCLYGCPSA-N 2 0 328.504 3.151 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000497130119 459452113 /nfs/dbraw/zinc/45/21/13/459452113.db2.gz MULWBFWENJWMBR-LSDHHAIUSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cncc(Br)c1 ZINC000582976502 459460561 /nfs/dbraw/zinc/46/05/61/459460561.db2.gz PWXCSIJWNWITRT-QGLTVNCISA-N 2 0 326.282 3.368 20 0 EGADRP CC1(C)CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000541544140 459464759 /nfs/dbraw/zinc/46/47/59/459464759.db2.gz QOLGLZSRUNPHTL-RBUKOAKNSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000497247271 459502015 /nfs/dbraw/zinc/50/20/15/459502015.db2.gz ZQDQACPWKDIQTE-SJORKVTESA-N 2 0 341.540 3.390 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC000583230839 459505069 /nfs/dbraw/zinc/50/50/69/459505069.db2.gz CPOGUXHKRSYHBI-FGZHOGPDSA-N 2 0 335.495 3.468 20 0 EGADRP Cc1cnccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000569780269 459507558 /nfs/dbraw/zinc/50/75/58/459507558.db2.gz NHRBMUFUTMHILW-UHFFFAOYSA-N 2 0 325.456 3.154 20 0 EGADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1CCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000562502979 459573588 /nfs/dbraw/zinc/57/35/88/459573588.db2.gz RUDMEVARRHQRNU-LWYYNNOASA-N 2 0 340.552 3.017 20 0 EGADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000572929191 459595992 /nfs/dbraw/zinc/59/59/92/459595992.db2.gz SAYCZRKCMGXJFA-APAFKAMOSA-N 2 0 332.536 3.402 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000592450478 459602257 /nfs/dbraw/zinc/60/22/57/459602257.db2.gz CPWHGMOKECBFNU-ROUUACIJSA-N 2 0 345.531 3.123 20 0 EGADRP COCC1(CC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000573247898 459649000 /nfs/dbraw/zinc/64/90/00/459649000.db2.gz RVLBOPKLPUHSHB-GOSISDBHSA-N 2 0 344.499 3.381 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000543433600 459656634 /nfs/dbraw/zinc/65/66/34/459656634.db2.gz GDIAWXPSYWBSQE-BZUAXINKSA-N 2 0 325.541 3.026 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C(F)F)cc1 ZINC000573407722 459671410 /nfs/dbraw/zinc/67/14/10/459671410.db2.gz XTTIHBRBNHIOMC-SFHVURJKSA-N 2 0 339.474 3.472 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000573436745 459677577 /nfs/dbraw/zinc/67/75/77/459677577.db2.gz FUSZTMWYMIYBFG-AYOQOUSVSA-N 2 0 335.923 3.455 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CCCCC1 ZINC000543740185 459693221 /nfs/dbraw/zinc/69/32/21/459693221.db2.gz BKKYRPLODQDWQG-YSFYHYPLSA-N 2 0 342.527 3.428 20 0 EGADRP CSCC1(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000596652432 459715794 /nfs/dbraw/zinc/71/57/94/459715794.db2.gz UHYADUFNDCFJOL-APWZRJJASA-N 2 0 332.513 3.365 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000544374296 459753070 /nfs/dbraw/zinc/75/30/70/459753070.db2.gz GQAMWMICHBJLAY-RBUKOAKNSA-N 2 0 345.531 3.438 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)[C@H](C)C1 ZINC000544384717 459753895 /nfs/dbraw/zinc/75/38/95/459753895.db2.gz DDQJJYUUQQUXMN-IKGGRYGDSA-N 2 0 330.582 3.491 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000584497371 459754491 /nfs/dbraw/zinc/75/44/91/459754491.db2.gz VAXORURKOSAFHV-GJZGRUSLSA-N 2 0 337.895 3.377 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)Nc2cccc(F)c2)cc1F ZINC000574033306 459770429 /nfs/dbraw/zinc/77/04/29/459770429.db2.gz LIRPCIIFQXVJSC-UHFFFAOYSA-N 2 0 347.409 3.145 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 ZINC000574053569 459773516 /nfs/dbraw/zinc/77/35/16/459773516.db2.gz NGZJBYDOLGBYIU-IEBWSBKVSA-N 2 0 341.430 3.438 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000574192525 459790052 /nfs/dbraw/zinc/79/00/52/459790052.db2.gz ZZDMONGVVFFOIO-UXHICEINSA-N 2 0 348.531 3.001 20 0 EGADRP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000574280913 459801660 /nfs/dbraw/zinc/80/16/60/459801660.db2.gz NMIBFPNIQZNCQP-NJYVYQBISA-N 2 0 328.500 3.136 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000566163605 459817292 /nfs/dbraw/zinc/81/72/92/459817292.db2.gz BAVZFPBKEHZXEF-SCTDSRPQSA-N 2 0 345.531 3.339 20 0 EGADRP CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@@H](O)CN(C)C3CC3)C2)cc1 ZINC000574725718 459860653 /nfs/dbraw/zinc/86/06/53/459860653.db2.gz PJSIQWKVYZMTLY-NQIIRXRSSA-N 2 0 330.516 3.130 20 0 EGADRP COC(=O)C1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000589173107 460044961 /nfs/dbraw/zinc/04/49/61/460044961.db2.gz DEDOXROTTLXSSW-PKOBYXMFSA-N 2 0 344.499 3.220 20 0 EGADRP COC(=O)C1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000589173103 460044987 /nfs/dbraw/zinc/04/49/87/460044987.db2.gz DEDOXROTTLXSSW-HKUYNNGSSA-N 2 0 344.499 3.220 20 0 EGADRP COC(=O)CC1CCC([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000599025156 460131009 /nfs/dbraw/zinc/13/10/09/460131009.db2.gz LFEPQBFENZTQGS-YXWAVELNSA-N 2 0 338.536 3.456 20 0 EGADRP COC(=O)CC1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000599033742 460134289 /nfs/dbraw/zinc/13/42/89/460134289.db2.gz BEDUQINNGXZAKS-UHFFFAOYSA-N 2 0 345.487 3.010 20 0 EGADRP O=C(CC[N@@H+]1CCc2nc[nH]c2C1)Nc1cc(Cl)ccc1Cl ZINC000625438695 460172412 /nfs/dbraw/zinc/17/24/12/460172412.db2.gz SBGNXBWZGBOQBM-UHFFFAOYSA-N 2 0 339.226 3.103 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000576695288 460194426 /nfs/dbraw/zinc/19/44/26/460194426.db2.gz QSDGRZHLHFSADV-INIZCTEOSA-N 2 0 329.488 3.176 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000599308371 460224819 /nfs/dbraw/zinc/22/48/19/460224819.db2.gz HNVCGDSKYIIOOI-FQEVSTJZSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2COc3ccccc3O2)C1 ZINC000603740926 460338358 /nfs/dbraw/zinc/33/83/58/460338358.db2.gz XUXUEDMPSCTFRB-QRVBRYPASA-N 2 0 344.499 3.413 20 0 EGADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000631595728 460463975 /nfs/dbraw/zinc/46/39/75/460463975.db2.gz DSDUDSNEXPEWKR-YRNRMSPPSA-N 2 0 332.488 3.162 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)CC1 ZINC000634678407 460471958 /nfs/dbraw/zinc/47/19/58/460471958.db2.gz SAXRSISOJARAQW-LJQANCHMSA-N 2 0 339.474 3.279 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631624899 460476708 /nfs/dbraw/zinc/47/67/08/460476708.db2.gz SKFMVNCUALOYIL-FYQPLNBISA-N 2 0 326.484 3.056 20 0 EGADRP Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000629533182 460798968 /nfs/dbraw/zinc/79/89/68/460798968.db2.gz MFEQSRNQOURIIF-GJZGRUSLSA-N 2 0 329.419 3.302 20 0 EGADRP Brc1ccc(S[C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629546343 460802472 /nfs/dbraw/zinc/80/24/72/460802472.db2.gz CJUNNNLHAYHTSC-DOMZBBRYSA-N 2 0 341.318 3.225 20 0 EGADRP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC(c2ccccc2)CC1 ZINC000629557825 460807324 /nfs/dbraw/zinc/80/73/24/460807324.db2.gz YSHIWCBLEDNEEC-JWFWCLOMSA-N 2 0 328.500 3.292 20 0 EGADRP C[N@H+](CCOCC[NH3+])Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000629577537 460812165 /nfs/dbraw/zinc/81/21/65/460812165.db2.gz CIENFTNWCMTPOU-UHFFFAOYSA-N 2 0 336.382 3.164 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)c1 ZINC000635546037 460826757 /nfs/dbraw/zinc/82/67/57/460826757.db2.gz NFJSEOPYPYMMEJ-FQEVSTJZSA-N 2 0 343.515 3.160 20 0 EGADRP Cc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2)c(C[NH+](C)C)c1 ZINC000635568377 460836372 /nfs/dbraw/zinc/83/63/72/460836372.db2.gz ZENHQZJBJHOXGD-UHFFFAOYSA-N 2 0 339.483 3.170 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624119397 460868152 /nfs/dbraw/zinc/86/81/52/460868152.db2.gz ANRSXOUCIQZGGH-LSDHHAIUSA-N 2 0 337.895 3.379 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000624121433 460869621 /nfs/dbraw/zinc/86/96/21/460869621.db2.gz WIPHSOGQTXSYQE-HNNXBMFYSA-N 2 0 337.458 3.255 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000624121122 460870038 /nfs/dbraw/zinc/87/00/38/460870038.db2.gz OORMREBVQNJWIP-GIVPXCGWSA-N 2 0 329.532 3.219 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000607935776 460940674 /nfs/dbraw/zinc/94/06/74/460940674.db2.gz UGKBOUSYHGZJLJ-KRWDZBQOSA-N 2 0 347.503 3.069 20 0 EGADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000635849975 460948915 /nfs/dbraw/zinc/94/89/15/460948915.db2.gz SPPMSKNURMUEKT-IBGZPJMESA-N 2 0 329.488 3.484 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000652348772 461142527 /nfs/dbraw/zinc/14/25/27/461142527.db2.gz QVMSIGAAGRQFRG-KZNAEPCWSA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000652350136 461145390 /nfs/dbraw/zinc/14/53/90/461145390.db2.gz HSNFQDSMPJNIJZ-ZSXHRAQDSA-N 2 0 332.463 3.421 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)CC1 ZINC000668169671 461153634 /nfs/dbraw/zinc/15/36/34/461153634.db2.gz XDFJJZUZDZNLOM-PZJWPPBQSA-N 2 0 344.499 3.018 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)CC1 ZINC000668169669 461154393 /nfs/dbraw/zinc/15/43/93/461154393.db2.gz XDFJJZUZDZNLOM-CTNGQTDRSA-N 2 0 344.499 3.018 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662273554 461161363 /nfs/dbraw/zinc/16/13/63/461161363.db2.gz OGKYZZDBRZPETA-SJORKVTESA-N 2 0 340.920 3.260 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])on2)cc1 ZINC000662287107 461167183 /nfs/dbraw/zinc/16/71/83/461167183.db2.gz WBPYYPSNCQCIMV-IFXJQAMLSA-N 2 0 329.444 3.300 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000662290236 461167987 /nfs/dbraw/zinc/16/79/87/461167987.db2.gz BLJMXJUTCGOSNR-NVXWUHKLSA-N 2 0 347.478 3.173 20 0 EGADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290552 461168631 /nfs/dbraw/zinc/16/86/31/461168631.db2.gz VZIHRUPMXPWWQF-VQIMIIECSA-N 2 0 343.515 3.288 20 0 EGADRP Cc1cncc(CC[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549159 461169335 /nfs/dbraw/zinc/16/93/35/461169335.db2.gz WCVPALCYWFDHJL-NQIIRXRSSA-N 2 0 338.499 3.312 20 0 EGADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000662293568 461169748 /nfs/dbraw/zinc/16/97/48/461169748.db2.gz LYIVGWQYSQXGBY-CQSZACIVSA-N 2 0 327.394 3.312 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000662294558 461171589 /nfs/dbraw/zinc/17/15/89/461171589.db2.gz QUJGXGDBHBUAJS-IEBWSBKVSA-N 2 0 343.515 3.342 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000662312044 461184404 /nfs/dbraw/zinc/18/44/04/461184404.db2.gz FLLGSTVWPSRUFT-AZUAARDMSA-N 2 0 332.488 3.019 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)c1 ZINC000662313494 461185822 /nfs/dbraw/zinc/18/58/22/461185822.db2.gz SEVSWJIECCDYNW-CRAIPNDOSA-N 2 0 331.504 3.390 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)[C@@H]1CCC[NH3+] ZINC000662313235 461186701 /nfs/dbraw/zinc/18/67/01/461186701.db2.gz HLABICHFMCLNOM-BSIFCXSSSA-N 2 0 343.515 3.093 20 0 EGADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCCC2)c1 ZINC000655352894 461202316 /nfs/dbraw/zinc/20/23/16/461202316.db2.gz QGSKMRHIWYNQHI-VQTJNVASSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(CO)ccn2)C1 ZINC000641296172 461205893 /nfs/dbraw/zinc/20/58/93/461205893.db2.gz WOGJGLZRQPLEAR-INIZCTEOSA-N 2 0 325.456 3.418 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662357130 461206500 /nfs/dbraw/zinc/20/65/00/461206500.db2.gz ZNZGVQIVGFQCNC-UHFFFAOYSA-N 2 0 337.467 3.062 20 0 EGADRP COc1cc(C)c([C@@H](C)N2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000638048846 461213999 /nfs/dbraw/zinc/21/39/99/461213999.db2.gz UZJVAIBBUAEVDC-IAGOWNOFSA-N 2 0 334.504 3.150 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](NC)c1cccc(Cl)c1Cl ZINC000662439870 461242195 /nfs/dbraw/zinc/24/21/95/461242195.db2.gz QNSLMKOXCSIYAJ-IAQYHMDHSA-N 2 0 346.302 3.100 20 0 EGADRP Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000638133593 461262985 /nfs/dbraw/zinc/26/29/85/461262985.db2.gz ROBLBMMWMXVCDN-IBGZPJMESA-N 2 0 330.520 3.459 20 0 EGADRP CC(C)O[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702670 461290321 /nfs/dbraw/zinc/29/03/21/461290321.db2.gz KRDANZDJQNBAJA-GGJLBNBESA-N 2 0 338.536 3.321 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000641709338 461332184 /nfs/dbraw/zinc/33/21/84/461332184.db2.gz BXZGPZWKHGOHEP-QGZVFWFLSA-N 2 0 326.488 3.392 20 0 EGADRP CC(C)[NH+](CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)C(C)C ZINC000646568149 461334215 /nfs/dbraw/zinc/33/42/15/461334215.db2.gz FNNTTWJMKBPQMJ-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP CSc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)o1 ZINC000641718255 461335799 /nfs/dbraw/zinc/33/57/99/461335799.db2.gz MLQIANCCYNDFPO-UHFFFAOYSA-N 2 0 346.496 3.248 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675411 461343912 /nfs/dbraw/zinc/34/39/12/461343912.db2.gz MWYYZIVWMZERCM-YJBOKZPZSA-N 2 0 329.488 3.388 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000662705126 461352202 /nfs/dbraw/zinc/35/22/02/461352202.db2.gz SKSOSGSDQRTOGA-NRFANRHFSA-N 2 0 327.516 3.343 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C[C@@H]1C ZINC000662743202 461364224 /nfs/dbraw/zinc/36/42/24/461364224.db2.gz LAKIGYAPAQFLAO-SNRMKQJTSA-N 2 0 343.515 3.010 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000668684137 461379463 /nfs/dbraw/zinc/37/94/63/461379463.db2.gz AXUCCYLWRCVBOR-UHFFFAOYSA-N 2 0 344.499 3.018 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3nsc4ccccc43)C2)C1 ZINC000641818414 461390098 /nfs/dbraw/zinc/39/00/98/461390098.db2.gz DQJFJUWCGWHNEK-VBQJREDUSA-N 2 0 331.485 3.015 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1)C(C)C ZINC000652989138 461439665 /nfs/dbraw/zinc/43/96/65/461439665.db2.gz YBXZPUDPWHOHDH-UHFFFAOYSA-N 2 0 345.531 3.475 20 0 EGADRP [NH3+]Cc1cccc2c1N(C(=O)c1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000638544079 461474295 /nfs/dbraw/zinc/47/42/95/461474295.db2.gz HLWHNTMNEUMJBI-UHFFFAOYSA-N 2 0 349.478 3.334 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC000631041728 461493407 /nfs/dbraw/zinc/49/34/07/461493407.db2.gz MHFHDEMOXBTFEG-INIZCTEOSA-N 2 0 325.456 3.451 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)C1 ZINC000631042940 461496810 /nfs/dbraw/zinc/49/68/10/461496810.db2.gz YLHPHJXXRMQAOC-INIZCTEOSA-N 2 0 325.456 3.309 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653108574 461505035 /nfs/dbraw/zinc/50/50/35/461505035.db2.gz AEAYUAKWXHEMCN-ROUUACIJSA-N 2 0 343.515 3.067 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(OC)c2Cl)C1 ZINC000659978589 461526270 /nfs/dbraw/zinc/52/62/70/461526270.db2.gz FQTCQNCFNDZMLX-MRXNPFEDSA-N 2 0 340.895 3.281 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000647200195 461561591 /nfs/dbraw/zinc/56/15/91/461561591.db2.gz OZCJEGVIQVIISZ-SFHVURJKSA-N 2 0 338.442 3.311 20 0 EGADRP Cc1cc(C)c(/C=C/C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000631113662 461561743 /nfs/dbraw/zinc/56/17/43/461561743.db2.gz JIJKAMCIOIVQLP-YJJPMGAVSA-N 2 0 329.532 3.241 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663344383 461570841 /nfs/dbraw/zinc/57/08/41/461570841.db2.gz SKRUAYSCXUQXCW-PXNSSMCTSA-N 2 0 346.515 3.312 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347233 461578090 /nfs/dbraw/zinc/57/80/90/461578090.db2.gz HPERBCHHCFXGHA-FUHWJXTLSA-N 2 0 329.488 3.115 20 0 EGADRP CC(C)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000660156208 461612734 /nfs/dbraw/zinc/61/27/34/461612734.db2.gz QIIYXDDWEISSLG-NQIIRXRSSA-N 2 0 329.532 3.268 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663466955 461654290 /nfs/dbraw/zinc/65/42/90/461654290.db2.gz CBZODALILONSBD-NVXWUHKLSA-N 2 0 332.488 3.476 20 0 EGADRP c1ccc(CN2CCC[C@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663469212 461660787 /nfs/dbraw/zinc/66/07/87/461660787.db2.gz PBKNBLSOITWGSG-YADHBBJMSA-N 2 0 341.543 3.363 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000663471768 461662106 /nfs/dbraw/zinc/66/21/06/461662106.db2.gz XWVHOJOECIJPOL-NVXWUHKLSA-N 2 0 330.472 3.230 20 0 EGADRP CC(C)[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000639093080 461721843 /nfs/dbraw/zinc/72/18/43/461721843.db2.gz HVOFKEKMUOYRSW-IBGZPJMESA-N 2 0 332.532 3.326 20 0 EGADRP Clc1ccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000643457718 461733528 /nfs/dbraw/zinc/73/35/28/461733528.db2.gz ZKAMKQYPGFPMAJ-OKZBNKHCSA-N 2 0 347.890 3.111 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)cn2)n1 ZINC000643463514 461734464 /nfs/dbraw/zinc/73/44/64/461734464.db2.gz UGKKKOJCBPAGNO-DNVCBOLYSA-N 2 0 341.503 3.285 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462769 461734792 /nfs/dbraw/zinc/73/47/92/461734792.db2.gz GIPBVBIACLBMOE-CZUORRHYSA-N 2 0 346.425 3.056 20 0 EGADRP CC[C@H]1C[N@H+](Cc2cc(-c3ccncc3)ccc2OC)CC[C@H]1[NH3+] ZINC000647497880 461737602 /nfs/dbraw/zinc/73/76/02/461737602.db2.gz YYDCYFSKKCOVMX-HNAYVOBHSA-N 2 0 325.456 3.316 20 0 EGADRP Cn1ccc([C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccc(Cl)cc2)n1 ZINC000643481206 461742719 /nfs/dbraw/zinc/74/27/19/461742719.db2.gz IHYGTYJLLTXFQO-AUCFXJAVSA-N 2 0 332.879 3.270 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000643524176 461752539 /nfs/dbraw/zinc/75/25/39/461752539.db2.gz SRZTYBFKCRCYME-BJLQDIEVSA-N 2 0 325.456 3.234 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643523070 461752662 /nfs/dbraw/zinc/75/26/62/461752662.db2.gz WANOKVHEPULZBW-HIFRSBDPSA-N 2 0 339.277 3.395 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)C2 ZINC000643533748 461754626 /nfs/dbraw/zinc/75/46/26/461754626.db2.gz CSUUFFHTLXGQLF-CVEARBPZSA-N 2 0 335.289 3.038 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)nnn1-c1ccc(Cl)cc1 ZINC000643534855 461755167 /nfs/dbraw/zinc/75/51/67/461755167.db2.gz DTIRSILAVCPFFZ-BLLLJJGKSA-N 2 0 345.878 3.022 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)nnn1-c1ccc(Cl)cc1 ZINC000643534857 461755218 /nfs/dbraw/zinc/75/52/18/461755218.db2.gz DTIRSILAVCPFFZ-MLGOLLRUSA-N 2 0 345.878 3.022 20 0 EGADRP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543520 461755989 /nfs/dbraw/zinc/75/59/89/461755989.db2.gz ORGFPYDIKWFDGV-RTBURBONSA-N 2 0 338.499 3.392 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543383 461756834 /nfs/dbraw/zinc/75/68/34/461756834.db2.gz MDDMGTCGGQBEDY-VQTJNVASSA-N 2 0 346.515 3.314 20 0 EGADRP COC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC000643536106 461757503 /nfs/dbraw/zinc/75/75/03/461757503.db2.gz RAGTVLGAAZJOJI-HUUCEWRRSA-N 2 0 328.378 3.125 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1-c1ccccc1 ZINC000647543176 461757520 /nfs/dbraw/zinc/75/75/20/461757520.db2.gz IPSGUDOMTBFIJK-RTBURBONSA-N 2 0 338.499 3.392 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)O[C@@H](C)C2 ZINC000647543679 461759189 /nfs/dbraw/zinc/75/91/89/461759189.db2.gz RBFBKBCUGMWSQA-ULQDDVLXSA-N 2 0 344.499 3.230 20 0 EGADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643548041 461761400 /nfs/dbraw/zinc/76/14/00/461761400.db2.gz LZAMFQMREMHODI-DUFGSWQCSA-N 2 0 337.305 3.358 20 0 EGADRP COc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCCC2)c1 ZINC000647548592 461761416 /nfs/dbraw/zinc/76/14/16/461761416.db2.gz JVYMOXYCCRYUGF-ZHALLVOQSA-N 2 0 328.500 3.485 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000647550674 461763145 /nfs/dbraw/zinc/76/31/45/461763145.db2.gz ANEFSFCNKSWUSZ-FPMFFAJLSA-N 2 0 328.378 3.192 20 0 EGADRP COc1cc(C)c([C@H](C)[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000639169660 461778793 /nfs/dbraw/zinc/77/87/93/461778793.db2.gz ICSGFJKQKXIHJR-SFHVURJKSA-N 2 0 347.547 3.331 20 0 EGADRP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176634 461781794 /nfs/dbraw/zinc/78/17/94/461781794.db2.gz INTUPJMASYMSDW-HNNXBMFYSA-N 2 0 336.451 3.007 20 0 EGADRP CC[N@H+](CCC1CCN(c2cc(CO)cc(C)n2)CC1)CC1CC1 ZINC000663769152 461796988 /nfs/dbraw/zinc/79/69/88/461796988.db2.gz SGWNVJNWLOLGJX-UHFFFAOYSA-N 2 0 331.504 3.221 20 0 EGADRP Cc1ccc(OCCC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1C ZINC000660472311 461798991 /nfs/dbraw/zinc/79/89/91/461798991.db2.gz JBNUDWUKQMTUIL-HXUWFJFHSA-N 2 0 346.515 3.259 20 0 EGADRP CC(C)c1ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828254 461826735 /nfs/dbraw/zinc/82/67/35/461826735.db2.gz JYUCQJQFTOACDD-QGZVFWFLSA-N 2 0 344.499 3.040 20 0 EGADRP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000647791719 461836521 /nfs/dbraw/zinc/83/65/21/461836521.db2.gz KZSJOBVNDRRAAG-JKIFEVAISA-N 2 0 335.879 3.036 20 0 EGADRP c1c(C[NH2+][C@H]2CCC[NH2+]CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000666856368 461837750 /nfs/dbraw/zinc/83/77/50/461837750.db2.gz DSUBXXRVUQNZQK-IBGZPJMESA-N 2 0 347.466 3.166 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000647792909 461837953 /nfs/dbraw/zinc/83/79/53/461837953.db2.gz DUMCAQLDXQYRLS-MFCZKXCZSA-N 2 0 326.440 3.355 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)OC(C)C ZINC000647795191 461838272 /nfs/dbraw/zinc/83/82/72/461838272.db2.gz JPPBTOQSBMZTFG-LJCCNALRSA-N 2 0 332.488 3.139 20 0 EGADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856668 461838778 /nfs/dbraw/zinc/83/87/78/461838778.db2.gz XYCGQWDLXBSYKL-SFHVURJKSA-N 2 0 346.906 3.433 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1 ZINC000666859549 461840249 /nfs/dbraw/zinc/84/02/49/461840249.db2.gz YZOUNAYOUNSSJW-NRFANRHFSA-N 2 0 339.483 3.376 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(=O)NCc1cccs1 ZINC000647802404 461844077 /nfs/dbraw/zinc/84/40/77/461844077.db2.gz KGZNQIYGZWHMGS-VSZNYVQBSA-N 2 0 349.544 3.043 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(c3ccccc3F)CCC2)CC1 ZINC000639289582 461844719 /nfs/dbraw/zinc/84/47/19/461844719.db2.gz NCZLRCCKWBRWGQ-UHFFFAOYSA-N 2 0 334.479 3.072 20 0 EGADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000647880984 461868041 /nfs/dbraw/zinc/86/80/41/461868041.db2.gz NGJVLBAJOKYFBJ-CQSZACIVSA-N 2 0 341.421 3.136 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952380 461885252 /nfs/dbraw/zinc/88/52/52/461885252.db2.gz UQSQCJUIQAPUTI-CQSZACIVSA-N 2 0 341.318 3.403 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(OCCC)c1 ZINC000666951047 461885591 /nfs/dbraw/zinc/88/55/91/461885591.db2.gz ZIRYHNNSEBUDOE-LJQANCHMSA-N 2 0 332.488 3.496 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953800 461886381 /nfs/dbraw/zinc/88/63/81/461886381.db2.gz HYWACPSXQVQOBG-CRAIPNDOSA-N 2 0 329.488 3.259 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954239 461886635 /nfs/dbraw/zinc/88/66/35/461886635.db2.gz SJPTWDHGPPIZDW-SFHVURJKSA-N 2 0 344.890 3.374 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705707 461898259 /nfs/dbraw/zinc/89/82/59/461898259.db2.gz RUVPLCRLOSBMNF-NSHGMRRFSA-N 2 0 332.488 3.194 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000650705887 461899080 /nfs/dbraw/zinc/89/90/80/461899080.db2.gz ZZTOGQPIZHXJHM-ZMSDIMECSA-N 2 0 340.414 3.006 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706498 461899632 /nfs/dbraw/zinc/89/96/32/461899632.db2.gz LXNLPYAVHSQWGK-CMKODMSKSA-N 2 0 332.488 3.192 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706753 461900115 /nfs/dbraw/zinc/90/01/15/461900115.db2.gz RTNAIRJDAGSAOH-CMKODMSKSA-N 2 0 332.488 3.192 20 0 EGADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OCC ZINC000650708903 461902515 /nfs/dbraw/zinc/90/25/15/461902515.db2.gz UEZQTGUSJXKYKW-PXNSSMCTSA-N 2 0 332.488 3.435 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000666995130 461903227 /nfs/dbraw/zinc/90/32/27/461903227.db2.gz DQHVRSWCKMOHAD-MISYRCLQSA-N 2 0 327.516 3.304 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654815 461904096 /nfs/dbraw/zinc/90/40/96/461904096.db2.gz HKHWOQDTBCDEQX-LJQANCHMSA-N 2 0 329.419 3.398 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660655257 461906111 /nfs/dbraw/zinc/90/61/11/461906111.db2.gz LLKGPVKDCLJEPV-GHTZIAJQSA-N 2 0 343.515 3.357 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3ccc(C[NH3+])cc3F)CC2)C1 ZINC000650717855 461909153 /nfs/dbraw/zinc/90/91/53/461909153.db2.gz OOZYLVYCHUVKNZ-KXBFYZLASA-N 2 0 333.495 3.417 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650723034 461914399 /nfs/dbraw/zinc/91/43/99/461914399.db2.gz GOIPAUMJGISINV-MCYKXBRJSA-N 2 0 332.488 3.160 20 0 EGADRP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2n1 ZINC000650723351 461914899 /nfs/dbraw/zinc/91/48/99/461914899.db2.gz MGWDQDKXGWKJIE-NRSPTQNISA-N 2 0 339.483 3.404 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000650723743 461916078 /nfs/dbraw/zinc/91/60/78/461916078.db2.gz SNSMWAKYZCOYSG-YOOHZWDDSA-N 2 0 336.426 3.339 20 0 EGADRP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723572 461916813 /nfs/dbraw/zinc/91/68/13/461916813.db2.gz QIEVEBUDCWCJML-FVQBIDKESA-N 2 0 337.533 3.301 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000650723956 461917091 /nfs/dbraw/zinc/91/70/91/461917091.db2.gz WDORLSGWNDZQKV-HHXXYDBFSA-N 2 0 332.419 3.433 20 0 EGADRP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647989922 461925944 /nfs/dbraw/zinc/92/59/44/461925944.db2.gz FCOCIZQBUPNVCX-GOSISDBHSA-N 2 0 326.488 3.281 20 0 EGADRP C[C@@H](Cc1ccsc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000667057095 461931186 /nfs/dbraw/zinc/93/11/86/461931186.db2.gz VBTGWXINDUSBEV-KRWDZBQOSA-N 2 0 343.540 3.262 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650752226 461933866 /nfs/dbraw/zinc/93/38/66/461933866.db2.gz MGMQOADBJNJPLH-CYBMUJFWSA-N 2 0 332.419 3.461 20 0 EGADRP FC(F)(F)c1ccccc1-c1nc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)co1 ZINC000639457296 461934374 /nfs/dbraw/zinc/93/43/74/461934374.db2.gz SKKKXHYCLNQNHG-RYUDHWBXSA-N 2 0 337.345 3.012 20 0 EGADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000650756766 461936203 /nfs/dbraw/zinc/93/62/03/461936203.db2.gz JLCWHRGZJZKIHW-GOSISDBHSA-N 2 0 326.440 3.200 20 0 EGADRP Clc1ccc(CN2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000650763695 461941429 /nfs/dbraw/zinc/94/14/29/461941429.db2.gz HEQMPZBTIZKJDV-UHFFFAOYSA-N 2 0 335.923 3.284 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650764223 461941488 /nfs/dbraw/zinc/94/14/88/461941488.db2.gz TZAYVEQYDHTBEN-QGZVFWFLSA-N 2 0 337.305 3.286 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Br ZINC000650764414 461941627 /nfs/dbraw/zinc/94/16/27/461941627.db2.gz XVOPAOFBUVNMAG-LBPRGKRZSA-N 2 0 341.293 3.498 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000648047954 461958237 /nfs/dbraw/zinc/95/82/37/461958237.db2.gz VJWRVCCLEWNVPW-AZUAARDMSA-N 2 0 332.488 3.018 20 0 EGADRP C[N@H+](CCC[NH2+]CCC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000644513813 461965215 /nfs/dbraw/zinc/96/52/15/461965215.db2.gz UYZGGDHBLJKXHG-UHFFFAOYSA-N 2 0 343.446 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182719 461982794 /nfs/dbraw/zinc/98/27/94/461982794.db2.gz LVPCKZVBABFSJX-VQTJNVASSA-N 2 0 329.532 3.361 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000657189400 461983275 /nfs/dbraw/zinc/98/32/75/461983275.db2.gz WNPCBDJTKVWZIK-INIZCTEOSA-N 2 0 346.906 3.406 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[C@](O)(C(F)(F)F)C3)CC2)C1 ZINC000644553622 461983313 /nfs/dbraw/zinc/98/33/13/461983313.db2.gz SVISUPNKZPWNMU-MXASKKJJSA-N 2 0 348.453 3.465 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000667196883 461991457 /nfs/dbraw/zinc/99/14/57/461991457.db2.gz GXCLOKGAJOQHFZ-AEFFLSMTSA-N 2 0 344.503 3.230 20 0 EGADRP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000667196571 461991634 /nfs/dbraw/zinc/99/16/34/461991634.db2.gz ZRUJEYXHQQUWFF-GOSISDBHSA-N 2 0 346.519 3.477 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657314180 462039698 /nfs/dbraw/zinc/03/96/98/462039698.db2.gz XKJNFFFTNFIPLJ-DBXWQHBBSA-N 2 0 346.515 3.312 20 0 EGADRP Cn1cncc1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639724600 462076680 /nfs/dbraw/zinc/07/66/80/462076680.db2.gz ATCMEACTDXEASV-UHFFFAOYSA-N 3 0 338.499 3.298 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3csc(Br)c3)C2)CC1 ZINC000639758631 462095750 /nfs/dbraw/zinc/09/57/50/462095750.db2.gz WUDNEWIZKORYOP-UHFFFAOYSA-N 2 0 329.307 3.428 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450600 462125181 /nfs/dbraw/zinc/12/51/81/462125181.db2.gz VNBYGSWIZCXQLO-SJLPKXTDSA-N 2 0 341.499 3.122 20 0 EGADRP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000651210959 462135880 /nfs/dbraw/zinc/13/58/80/462135880.db2.gz JEERRAVJHALZLP-AZUAARDMSA-N 2 0 346.515 3.072 20 0 EGADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCC2)cc1 ZINC000654307265 462149607 /nfs/dbraw/zinc/14/96/07/462149607.db2.gz QUSGVGXJBACZGV-PMACEKPBSA-N 2 0 341.499 3.029 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000667735069 462238703 /nfs/dbraw/zinc/23/87/03/462238703.db2.gz HBGIIHZIPUUOAT-SFHVURJKSA-N 2 0 330.476 3.064 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813274 462279371 /nfs/dbraw/zinc/27/93/71/462279371.db2.gz MRYLNZJSWORNDI-UHFFFAOYSA-N 2 0 332.536 3.467 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000657813675 462279594 /nfs/dbraw/zinc/27/95/94/462279594.db2.gz WXXRYHRTAFQLLG-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CO[C@@H]([C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000648796992 462281773 /nfs/dbraw/zinc/28/17/73/462281773.db2.gz AEBVQQVJDOUNKI-JXFKEZNVSA-N 2 0 332.488 3.064 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000667854160 462295783 /nfs/dbraw/zinc/29/57/83/462295783.db2.gz SDDWSCGLVRSPGL-UHFFFAOYSA-N 2 0 342.487 3.066 20 0 EGADRP CCOC1CCC([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000657873561 462304058 /nfs/dbraw/zinc/30/40/58/462304058.db2.gz MWPZWTLSHDSWKN-UHFFFAOYSA-N 2 0 346.515 3.081 20 0 EGADRP C[C@@H](Oc1ccc([C@H](C)NC[C@@H](O)C[NH+](C)C)cc1)c1ccccc1 ZINC000657876052 462304694 /nfs/dbraw/zinc/30/46/94/462304694.db2.gz TZYVQARWHGPLPB-SQGPQFPESA-N 2 0 342.483 3.400 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000658068066 462365111 /nfs/dbraw/zinc/36/51/11/462365111.db2.gz BOFIRQVOAKELLQ-BQFCYCMXSA-N 2 0 335.923 3.486 20 0 EGADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000665248031 462366987 /nfs/dbraw/zinc/36/69/87/462366987.db2.gz NTMCGROYDKCQGU-HSALFYBXSA-N 2 0 327.516 3.148 20 0 EGADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071167 462367390 /nfs/dbraw/zinc/36/73/90/462367390.db2.gz VLIXQZUYUVTVKT-NRFANRHFSA-N 2 0 343.515 3.414 20 0 EGADRP [NH3+][C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c2ccccc21 ZINC000665253828 462370850 /nfs/dbraw/zinc/37/08/50/462370850.db2.gz AMLJUBNPUJUZAT-XFWGSAIBSA-N 2 0 325.431 3.006 20 0 EGADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000665283883 462384666 /nfs/dbraw/zinc/38/46/66/462384666.db2.gz WRVHQVQDNMFFEZ-CEWLAPEOSA-N 2 0 344.499 3.427 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(COCc2ccccc2)OC)CC1 ZINC000658132257 462397478 /nfs/dbraw/zinc/39/74/78/462397478.db2.gz KAICXZALAVEFCO-FQEVSTJZSA-N 2 0 334.504 3.072 20 0 EGADRP CO[C@@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)COCc1ccccc1 ZINC000658132229 462398390 /nfs/dbraw/zinc/39/83/90/462398390.db2.gz JRGMPGHZPOWNHE-NRFANRHFSA-N 2 0 348.531 3.461 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1(CO)CC1 ZINC000658154236 462408392 /nfs/dbraw/zinc/40/83/92/462408392.db2.gz KHEHFAYZUNIVRG-FFGOWVMKSA-N 2 0 328.500 3.180 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658163719 462413481 /nfs/dbraw/zinc/41/34/81/462413481.db2.gz AESCBQYBMLQXIO-UXHICEINSA-N 2 0 345.531 3.475 20 0 EGADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@H]2CCCO[C@H]21 ZINC000658168084 462415938 /nfs/dbraw/zinc/41/59/38/462415938.db2.gz VPDZVRYKEDGVFV-VAMGGRTRSA-N 2 0 343.515 3.087 20 0 EGADRP COc1cccc(NC(=O)CC[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640532984 462431681 /nfs/dbraw/zinc/43/16/81/462431681.db2.gz MAHLDOCBGBJFNR-UHFFFAOYSA-N 2 0 347.503 3.222 20 0 EGADRP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000652150460 462451109 /nfs/dbraw/zinc/45/11/09/462451109.db2.gz XLAVXWIVJKHENW-MJGOQNOKSA-N 2 0 349.494 3.090 20 0 EGADRP CC(C)C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)[NH2+][C@@H](C)c1ccccc1 ZINC000645964375 462480496 /nfs/dbraw/zinc/48/04/96/462480496.db2.gz GSOWRULTZRVKEW-RDJZCZTQSA-N 2 0 343.471 3.234 20 0 EGADRP Cc1ccccc1CN1CCC[N@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411546 462502098 /nfs/dbraw/zinc/50/20/98/462502098.db2.gz DMSBBDSJJZJHDD-UHFFFAOYSA-N 2 0 329.532 3.283 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCCCCC[NH3+] ZINC000166709746 533942853 /nfs/dbraw/zinc/94/28/53/533942853.db2.gz OSEVLAFNCTVYJM-UHFFFAOYSA-N 2 0 349.544 3.392 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000153166637 527879707 /nfs/dbraw/zinc/87/97/07/527879707.db2.gz TUDMCRAJMUXREK-WBVHZDCISA-N 2 0 334.504 3.301 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000181917827 527938256 /nfs/dbraw/zinc/93/82/56/527938256.db2.gz RQGQIYCKVSCJMC-RBUKOAKNSA-N 2 0 329.488 3.235 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000132357812 528465708 /nfs/dbraw/zinc/46/57/08/528465708.db2.gz BYIPAZCVDDYDSL-KBXCAEBGSA-N 2 0 341.902 3.402 20 0 EGADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)oc21 ZINC000181703060 528700438 /nfs/dbraw/zinc/70/04/38/528700438.db2.gz YEIQHTKHNCGANH-HOTGVXAUSA-N 2 0 345.487 3.118 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000191609403 529042115 /nfs/dbraw/zinc/04/21/15/529042115.db2.gz AFJNKBLOBMVVGZ-HNNXBMFYSA-N 2 0 325.447 3.032 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187662701 529143434 /nfs/dbraw/zinc/14/34/34/529143434.db2.gz WIDJPYHXXISSGJ-KRWDZBQOSA-N 2 0 337.939 3.451 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187765823 529144682 /nfs/dbraw/zinc/14/46/82/529144682.db2.gz HFQNRKRHNIXPJD-NHCUHLMSSA-N 2 0 329.532 3.114 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000187159903 529148219 /nfs/dbraw/zinc/14/82/19/529148219.db2.gz UCPMGILRVXKPIS-CTNGQTDRSA-N 2 0 331.548 3.117 20 0 EGADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000363922359 536033999 /nfs/dbraw/zinc/03/39/99/536033999.db2.gz FCVFFKLSLKXZKM-RBUKOAKNSA-N 2 0 326.488 3.298 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]CCSCc3ccccc3)CC2)CC1 ZINC000193905093 536340316 /nfs/dbraw/zinc/34/03/16/536340316.db2.gz QRAJRZRDPZZVME-UHFFFAOYSA-N 2 0 347.572 3.068 20 0 EGADRP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)n(-c2ccccc2)n1 ZINC000090602275 546659134 /nfs/dbraw/zinc/65/91/34/546659134.db2.gz OQJSGGSMODRJCQ-AEFFLSMTSA-N 2 0 340.515 3.432 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000090913538 546661407 /nfs/dbraw/zinc/66/14/07/546661407.db2.gz BXRKXRZENIIZCT-KKSFZXQISA-N 2 0 339.483 3.500 20 0 EGADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000124733519 546748130 /nfs/dbraw/zinc/74/81/30/546748130.db2.gz UAALHJXJFLLDCJ-QRVBRYPASA-N 3 0 343.559 3.463 20 0 EGADRP CCOc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OCC ZINC000154923631 546896745 /nfs/dbraw/zinc/89/67/45/546896745.db2.gz BLRWEUJWNISQLD-MRXNPFEDSA-N 2 0 334.504 3.346 20 0 EGADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000166398823 546988025 /nfs/dbraw/zinc/98/80/25/546988025.db2.gz JABLVGHPNQXDAB-HBMCJLEFSA-N 2 0 327.516 3.348 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000248433648 547298960 /nfs/dbraw/zinc/29/89/60/547298960.db2.gz DIXXTSDWHYONTI-KDOFPFPSSA-N 2 0 345.512 3.259 20 0 EGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ncc[nH]1 ZINC000285956158 547390801 /nfs/dbraw/zinc/39/08/01/547390801.db2.gz GLHZIOYAIKYRHU-KRWDZBQOSA-N 2 0 342.487 3.132 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC)c1 ZINC000339066103 547567654 /nfs/dbraw/zinc/56/76/54/547567654.db2.gz BCZPPUDIXCTGMZ-SVFBPWRDSA-N 2 0 345.531 3.295 20 0 EGADRP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000339071407 547568074 /nfs/dbraw/zinc/56/80/74/547568074.db2.gz QZYSYCGLOCSAHU-GJZGRUSLSA-N 2 0 340.414 3.056 20 0 EGADRP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCC ZINC000339073910 547568793 /nfs/dbraw/zinc/56/87/93/547568793.db2.gz GYYYRIYDPXLUKR-MSOLQXFVSA-N 2 0 332.488 3.243 20 0 EGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)CC2 ZINC000358919851 547748140 /nfs/dbraw/zinc/74/81/40/547748140.db2.gz YLBXFVXHKPYSAX-YJBOKZPZSA-N 2 0 332.488 3.403 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC000414845425 547860457 /nfs/dbraw/zinc/86/04/57/547860457.db2.gz DKQXKIVYRHZHIW-CHWSQXEVSA-N 2 0 348.288 3.475 20 0 EGADRP Brc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000414837480 547860737 /nfs/dbraw/zinc/86/07/37/547860737.db2.gz KEBKUSZLKKVBRS-ZDUSSCGKSA-N 2 0 348.288 3.477 20 0 EGADRP COc1ccc(OCc2nc(CN[C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414924035 547861023 /nfs/dbraw/zinc/86/10/23/547861023.db2.gz JIEUCTYBMJXWLL-UONOGXRCSA-N 2 0 347.484 3.090 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000415062097 547863538 /nfs/dbraw/zinc/86/35/38/547863538.db2.gz ZPSQSBMZQUIHHC-HNNXBMFYSA-N 2 0 326.366 3.015 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000415039301 547863748 /nfs/dbraw/zinc/86/37/48/547863748.db2.gz NVEZLXXHSABFTB-WCQYABFASA-N 2 0 334.261 3.214 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000672617462 548453284 /nfs/dbraw/zinc/45/32/84/548453284.db2.gz BCHZXPORIKJNSH-UWJYYQICSA-N 2 0 347.547 3.396 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742236 548971384 /nfs/dbraw/zinc/97/13/84/548971384.db2.gz MGRGAIMJFHXKPG-FQEVSTJZSA-N 2 0 331.548 3.259 20 0 EGADRP C[C@H](CC1CCC1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000675832227 548992049 /nfs/dbraw/zinc/99/20/49/548992049.db2.gz JYNUWJXSHRPSPX-OXQOHEQNSA-N 2 0 343.515 3.052 20 0 EGADRP C([C@@H]1CCCO1)[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000675883385 548996734 /nfs/dbraw/zinc/99/67/34/548996734.db2.gz ZOJXRDDMGFLAFO-NRFANRHFSA-N 2 0 349.563 3.017 20 0 EGADRP Cc1nc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)s1 ZINC000676840036 549165410 /nfs/dbraw/zinc/16/54/10/549165410.db2.gz WFUPOIAFMFVVGN-MCIONIFRSA-N 2 0 325.522 3.300 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000678045831 549383853 /nfs/dbraw/zinc/38/38/53/549383853.db2.gz LDOPPDJONBCZQO-UHFFFAOYSA-N 2 0 347.547 3.323 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678285227 549460665 /nfs/dbraw/zinc/46/06/65/549460665.db2.gz QGOYRFYXZHCDTK-GOSISDBHSA-N 2 0 327.472 3.168 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCCc2cnn(C)c2)CC1)CC1CC1 ZINC000678469787 549502474 /nfs/dbraw/zinc/50/24/74/549502474.db2.gz IPXWSSODZUKBML-UHFFFAOYSA-N 2 0 332.536 3.187 20 0 EGADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000678775014 549559014 /nfs/dbraw/zinc/55/90/14/549559014.db2.gz XDDXQIVUWJCFAT-HRAATJIYSA-N 2 0 339.483 3.435 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000678929516 549596933 /nfs/dbraw/zinc/59/69/33/549596933.db2.gz ODSYVSLCMIRVGC-QGZVFWFLSA-N 2 0 342.483 3.013 20 0 EGADRP CN(C)c1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000679537575 549727990 /nfs/dbraw/zinc/72/79/90/549727990.db2.gz ULICUICCZAPEHV-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000681250285 549972871 /nfs/dbraw/zinc/97/28/71/549972871.db2.gz CIOQMVYVUOPEBB-PKOBYXMFSA-N 2 0 345.531 3.182 20 0 EGADRP CC[C@@]1([NH2+]Cc2ccccc2C[NH2+][C@@]2(CC)CCOC2)CCOC1 ZINC000683044635 550182626 /nfs/dbraw/zinc/18/26/26/550182626.db2.gz VCAVCTVBVMDNMI-BGYRXZFFSA-N 2 0 332.488 3.004 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683929497 550274673 /nfs/dbraw/zinc/27/46/73/550274673.db2.gz DALFJQGPAKIDOT-HXUWFJFHSA-N 2 0 335.451 3.024 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929880 550274946 /nfs/dbraw/zinc/27/49/46/550274946.db2.gz XRNCHLMTYZOJMF-VQTJNVASSA-N 2 0 327.472 3.025 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OCC ZINC000685470763 550421273 /nfs/dbraw/zinc/42/12/73/550421273.db2.gz QAFHBFSFBUBAON-ROUUACIJSA-N 2 0 332.488 3.400 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000693733565 1298150986 /nfs/dbraw/zinc/15/09/86/1298150986.db2.gz AKYSXEMJIJOQDU-QNDFHXLGSA-N 2 0 341.543 3.406 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC000073034092 1292301872 /nfs/dbraw/zinc/30/18/72/1292301872.db2.gz PTWQQGDRKILOFN-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000829773545 1292618773 /nfs/dbraw/zinc/61/87/73/1292618773.db2.gz FRMMJQUHDDGIBP-INIZCTEOSA-N 2 0 337.467 3.101 20 0 EGADRP CCc1nn(C)cc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000092366264 1292865116 /nfs/dbraw/zinc/86/51/16/1292865116.db2.gz GPYCOFHTIGFDMU-UHFFFAOYSA-N 2 0 326.488 3.258 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)C[C@@H]([NH3+])C3CC3)c2)CC1 ZINC000831502278 1292873062 /nfs/dbraw/zinc/87/30/62/1292873062.db2.gz KHQDWGVELLKSMH-LJQANCHMSA-N 2 0 329.488 3.027 20 0 EGADRP CO[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000831534025 1292878898 /nfs/dbraw/zinc/87/88/98/1292878898.db2.gz MLNYNUDUNQYYRL-LWYYNNOASA-N 2 0 340.552 3.260 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000105451625 1293036339 /nfs/dbraw/zinc/03/63/39/1293036339.db2.gz JNLJNRDZKOFHEX-UHFFFAOYSA-N 2 0 344.330 3.357 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834547359 1293115511 /nfs/dbraw/zinc/11/55/11/1293115511.db2.gz AUUXLLZBRPPZLG-BZUAXINKSA-N 2 0 327.513 3.094 20 0 EGADRP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120641625 1293331987 /nfs/dbraw/zinc/33/19/87/1293331987.db2.gz JXIIJZYZFITMIY-IERDGZPVSA-N 2 0 342.458 3.113 20 0 EGADRP CCOC(C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OCC ZINC000124682082 1293482317 /nfs/dbraw/zinc/48/23/17/1293482317.db2.gz GOMOZOWCPVFJHA-QGZVFWFLSA-N 2 0 326.525 3.362 20 0 EGADRP C[NH+](C)CCCCCCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000125109516 1293496039 /nfs/dbraw/zinc/49/60/39/1293496039.db2.gz IQQSNSJVEBXFFR-UHFFFAOYSA-N 2 0 340.556 3.107 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000125671948 1293514402 /nfs/dbraw/zinc/51/44/02/1293514402.db2.gz VLOCLMSQXGYXES-MRXNPFEDSA-N 2 0 346.393 3.081 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[NH2+]C(C)(C)C ZINC000145129797 1293868044 /nfs/dbraw/zinc/86/80/44/1293868044.db2.gz OPRBOBYNZRHGBL-INIZCTEOSA-N 2 0 331.504 3.065 20 0 EGADRP CC(C)C[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000151468825 1293925436 /nfs/dbraw/zinc/92/54/36/1293925436.db2.gz ZIXNVQKSGFGXRA-NQIIRXRSSA-N 2 0 329.532 3.217 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000151914368 1293944854 /nfs/dbraw/zinc/94/48/54/1293944854.db2.gz WMKPKCKCVLBDAC-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000153620226 1294022771 /nfs/dbraw/zinc/02/27/71/1294022771.db2.gz WDISHKCCYQQZFY-HXUWFJFHSA-N 2 0 345.531 3.080 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)CCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000155692642 1294110609 /nfs/dbraw/zinc/11/06/09/1294110609.db2.gz UNZBCSFQXRAVLC-IEBWSBKVSA-N 2 0 331.504 3.017 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000168512830 1294368204 /nfs/dbraw/zinc/36/82/04/1294368204.db2.gz UYHVGQPFFFMGHO-MDNKFWRPSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000185359006 1295258100 /nfs/dbraw/zinc/25/81/00/1295258100.db2.gz QSRUVYJOUHEFHK-NSHDSACASA-N 2 0 327.266 3.147 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)ccc1OC ZINC000189333132 1295516358 /nfs/dbraw/zinc/51/63/58/1295516358.db2.gz RHBHBNJWYWZAMI-FCEWJHQRSA-N 2 0 334.504 3.349 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cn1 ZINC000190883815 1295623416 /nfs/dbraw/zinc/62/34/16/1295623416.db2.gz WUTXXKYLMHRLRB-UHFFFAOYSA-N 2 0 335.455 3.402 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870867962 1296121750 /nfs/dbraw/zinc/12/17/50/1296121750.db2.gz PZSJFEPXXCDFEF-INIZCTEOSA-N 2 0 329.488 3.389 20 0 EGADRP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000870871455 1296123187 /nfs/dbraw/zinc/12/31/87/1296123187.db2.gz ZLCARHHSAPUEPP-IYARVYRRSA-N 2 0 329.488 3.171 20 0 EGADRP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000870887054 1296130439 /nfs/dbraw/zinc/13/04/39/1296130439.db2.gz YFISVYVEQBNALD-MSEWRSJXSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000870891677 1296132153 /nfs/dbraw/zinc/13/21/53/1296132153.db2.gz HPHFZXNGLADZOK-AFYVEPGGSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000237444585 1296242724 /nfs/dbraw/zinc/24/27/24/1296242724.db2.gz WICBXIIVEQCSKT-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000248627402 1296421896 /nfs/dbraw/zinc/42/18/96/1296421896.db2.gz GFGGQNBVKBCMNP-IXDOHACOSA-N 2 0 339.524 3.286 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000248639136 1296423555 /nfs/dbraw/zinc/42/35/55/1296423555.db2.gz LQHPCYNOYNNWAP-GIVPXCGWSA-N 2 0 343.559 3.432 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871885088 1296593078 /nfs/dbraw/zinc/59/30/78/1296593078.db2.gz PLCWSRPAJCXPFV-FQEVSTJZSA-N 2 0 343.515 3.200 20 0 EGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cccc(Cl)c1 ZINC000261842169 1296605996 /nfs/dbraw/zinc/60/59/96/1296605996.db2.gz YRTXPCWGWCCDKC-QGZVFWFLSA-N 2 0 335.879 3.133 20 0 EGADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000261942968 1296611162 /nfs/dbraw/zinc/61/11/62/1296611162.db2.gz DYGVCHVHHCDOAH-UHFFFAOYSA-N 2 0 336.483 3.425 20 0 EGADRP c1ccc(COc2ccccc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000261999502 1296613895 /nfs/dbraw/zinc/61/38/95/1296613895.db2.gz LFHXNDRFBZRHCN-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157387 1296776581 /nfs/dbraw/zinc/77/65/81/1296776581.db2.gz MZZMPYQKJRHLTB-GPMSIDNRSA-N 2 0 335.536 3.053 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000301465834 1296789485 /nfs/dbraw/zinc/78/94/85/1296789485.db2.gz FYJWJVCMMIBIHB-JKSUJKDBSA-N 2 0 341.540 3.247 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000302083065 1296797486 /nfs/dbraw/zinc/79/74/86/1296797486.db2.gz FAYYLYSHFSMHCI-GOSISDBHSA-N 2 0 347.503 3.143 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000872223184 1296826165 /nfs/dbraw/zinc/82/61/65/1296826165.db2.gz NGPMAYCSXKZIKI-UHFFFAOYSA-N 2 0 331.504 3.140 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000305103721 1296978676 /nfs/dbraw/zinc/97/86/76/1296978676.db2.gz CEQOVRVNWSSKMQ-UVBJJODRSA-N 2 0 331.287 3.347 20 0 EGADRP C[N@@H+]1CCC[C@H]2CN(Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592292 1297018324 /nfs/dbraw/zinc/01/83/24/1297018324.db2.gz XLFOMDKAHWJLRX-LPHOPBHVSA-N 2 0 328.435 3.063 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592341 1297018986 /nfs/dbraw/zinc/01/89/86/1297018986.db2.gz NWTXIHNWLOBOJD-VQIMIIECSA-N 2 0 328.435 3.063 20 0 EGADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310402349 1297094386 /nfs/dbraw/zinc/09/43/86/1297094386.db2.gz NLSZUWLSMYIQBC-OAQYLSRUSA-N 3 0 329.532 3.220 20 0 EGADRP CCOC(=O)/C=C/C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310969249 1297104627 /nfs/dbraw/zinc/10/46/27/1297104627.db2.gz HUOLGUIUBUWBAQ-RMKNXTFCSA-N 2 0 342.483 3.094 20 0 EGADRP c1c(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)sc2c1C[NH2+]CC2 ZINC000873200389 1297345607 /nfs/dbraw/zinc/34/56/07/1297345607.db2.gz AFYJHBUXIZNIGH-GOSISDBHSA-N 2 0 341.524 3.148 20 0 EGADRP c1c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873206975 1297352247 /nfs/dbraw/zinc/35/22/47/1297352247.db2.gz HFAOJBXZAFBUFM-KRWDZBQOSA-N 2 0 327.497 3.470 20 0 EGADRP Fc1ccc(-n2cc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)cn2)cc1 ZINC000873232854 1297375533 /nfs/dbraw/zinc/37/55/33/1297375533.db2.gz OMTIJTUPJBDABR-LJQANCHMSA-N 2 0 342.462 3.413 20 0 EGADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873260812 1297394298 /nfs/dbraw/zinc/39/42/98/1297394298.db2.gz IFGAQXQVTWLQLL-MNRMEVMPSA-N 2 0 332.463 3.414 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000873259914 1297395276 /nfs/dbraw/zinc/39/52/76/1297395276.db2.gz OMJJMXSRLLWSGP-OWLYRPNTSA-N 2 0 329.488 3.141 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000873282238 1297409780 /nfs/dbraw/zinc/40/97/80/1297409780.db2.gz GLFLBCPHBJMXGC-AZUAARDMSA-N 2 0 338.499 3.066 20 0 EGADRP C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873288815 1297410706 /nfs/dbraw/zinc/41/07/06/1297410706.db2.gz MALHFPZEFGDZBU-CRAIPNDOSA-N 2 0 327.447 3.408 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)oc21 ZINC000873292389 1297414100 /nfs/dbraw/zinc/41/41/00/1297414100.db2.gz QSYZIGNYRWIUIL-ZBFHGGJFSA-N 2 0 344.455 3.251 20 0 EGADRP C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699213539 1298169538 /nfs/dbraw/zinc/16/95/38/1298169538.db2.gz ZBLHIDQGCGIFKU-XSLAUPDRSA-N 2 0 327.516 3.113 20 0 EGADRP [NH3+]CCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715050776 1298276682 /nfs/dbraw/zinc/27/66/82/1298276682.db2.gz LGBUEPAFXHGJEU-PMACEKPBSA-N 2 0 343.515 3.019 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000715560093 1298280636 /nfs/dbraw/zinc/28/06/36/1298280636.db2.gz WSDMBBFUQFUBEP-CKUJCDMFSA-N 2 0 339.524 3.141 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724068613 1298346953 /nfs/dbraw/zinc/34/69/53/1298346953.db2.gz MHAATZLMZMEYJY-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP [NH3+]CCCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000746291712 1298563792 /nfs/dbraw/zinc/56/37/92/1298563792.db2.gz KVSBCVFTFYVMOK-KRWDZBQOSA-N 2 0 337.895 3.112 20 0 EGADRP C[C@H](CC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)C1CC[NH2+]CC1 ZINC000877450122 1299309983 /nfs/dbraw/zinc/30/99/83/1299309983.db2.gz YKQQVVOWPDLSPW-FUHIMQAGSA-N 2 0 349.563 3.158 20 0 EGADRP Cc1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000877524744 1299368506 /nfs/dbraw/zinc/36/85/06/1299368506.db2.gz DIMPIZGLTDVYQE-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP Nc1c(Cl)cccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000877624764 1299439520 /nfs/dbraw/zinc/43/95/20/1299439520.db2.gz DZBPKFAVGGYWCD-UHFFFAOYSA-N 2 0 344.890 3.319 20 0 EGADRP Cc1nnsc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877696913 1299488925 /nfs/dbraw/zinc/48/89/25/1299488925.db2.gz BCGNBRNLULLAFF-UHFFFAOYSA-N 2 0 330.501 3.238 20 0 EGADRP CC(C)(C)[C@@]1(C[NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000877811636 1299573237 /nfs/dbraw/zinc/57/32/37/1299573237.db2.gz RTOOFXXFZZHQLB-SFHLNBCPSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCSC(C)(C)C)CC1 ZINC000878020766 1299710558 /nfs/dbraw/zinc/71/05/58/1299710558.db2.gz QAXRIHNBHRQRBM-ROUUACIJSA-N 2 0 341.609 3.399 20 0 EGADRP CC[C@H](C(=O)N(C)c1ccc(C)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000878126187 1299764482 /nfs/dbraw/zinc/76/44/82/1299764482.db2.gz UKUOWFIBVVSTET-IEBWSBKVSA-N 2 0 331.504 3.010 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000754049142 1300070516 /nfs/dbraw/zinc/07/05/16/1300070516.db2.gz ZNPFDSIYECFRLQ-GOSISDBHSA-N 2 0 334.504 3.237 20 0 EGADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CS1 ZINC000754124913 1300091711 /nfs/dbraw/zinc/09/17/11/1300091711.db2.gz UNEIDOFBVCHOSW-IKGGRYGDSA-N 2 0 326.550 3.140 20 0 EGADRP Cc1ccc2ccccc2c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592339 1300617463 /nfs/dbraw/zinc/61/74/63/1300617463.db2.gz HSMTXOKXAOCUEP-UHFFFAOYSA-N 2 0 337.511 3.360 20 0 EGADRP COc1c(C)cnc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000757903691 1300755009 /nfs/dbraw/zinc/75/50/09/1300755009.db2.gz ZAUJBNPZOYISKC-UHFFFAOYSA-N 2 0 327.472 3.401 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)C2CCOCC2)CCCO1 ZINC000762646610 1301721260 /nfs/dbraw/zinc/72/12/60/1301721260.db2.gz AMUDCMIRQGHVSP-WIYYLYMNSA-N 2 0 346.515 3.245 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000882624918 1302038394 /nfs/dbraw/zinc/03/83/94/1302038394.db2.gz VCMFMIUYRWUIFU-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000764638991 1302106959 /nfs/dbraw/zinc/10/69/59/1302106959.db2.gz NVBANMULBIEFNU-HNNXBMFYSA-N 2 0 331.460 3.168 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000764805610 1302139422 /nfs/dbraw/zinc/13/94/22/1302139422.db2.gz GOYNTCPDWHVVKA-UHFFFAOYSA-N 2 0 332.536 3.041 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882893280 1302152494 /nfs/dbraw/zinc/15/24/94/1302152494.db2.gz PUBMOBRPHKMVKU-GJZGRUSLSA-N 2 0 332.444 3.234 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000766974648 1302555001 /nfs/dbraw/zinc/55/50/01/1302555001.db2.gz OBAOVPRNKGGGML-HNNXBMFYSA-N 2 0 337.335 3.251 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CC1CC1)C1CCCCC1 ZINC000884198571 1302769668 /nfs/dbraw/zinc/76/96/68/1302769668.db2.gz AKFFHCAAIIFPGS-HXUWFJFHSA-N 2 0 343.515 3.195 20 0 EGADRP CCCCn1nc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1Cl ZINC000768301675 1302875712 /nfs/dbraw/zinc/87/57/12/1302875712.db2.gz HHZPBJSLABHLPL-UHFFFAOYSA-N 2 0 326.916 3.419 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885908148 1303272250 /nfs/dbraw/zinc/27/22/50/1303272250.db2.gz LAZYIFMLVZIIBR-HXUWFJFHSA-N 2 0 346.515 3.346 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885923736 1303278276 /nfs/dbraw/zinc/27/82/76/1303278276.db2.gz BUXJOZHTHDCDLU-GUDVDZBRSA-N 2 0 338.536 3.062 20 0 EGADRP C[NH+](C[C@H]1CCCOC1)[C@H]1CC[C@H]([N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000886392093 1303455200 /nfs/dbraw/zinc/45/52/00/1303455200.db2.gz UJXZYFUKEQUDJO-UAFMIMERSA-N 2 0 338.536 3.014 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000886526280 1303486850 /nfs/dbraw/zinc/48/68/50/1303486850.db2.gz IYXXECRHBVENGM-VEDCXYSMSA-N 2 0 349.563 3.017 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000886555023 1303498993 /nfs/dbraw/zinc/49/89/93/1303498993.db2.gz JAROHLKEDXQCGD-QPIRBTGLSA-N 2 0 328.504 3.047 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000886839698 1303617333 /nfs/dbraw/zinc/61/73/33/1303617333.db2.gz KMUNQOHBMUUMCM-MJUUVYJYSA-N 2 0 346.515 3.058 20 0 EGADRP C[C@H]1C[C@@H](Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000776856215 1304212368 /nfs/dbraw/zinc/21/23/68/1304212368.db2.gz ONOTTWJWGHIGOY-WMZOPIPTSA-N 2 0 330.520 3.112 20 0 EGADRP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000779439569 1304572496 /nfs/dbraw/zinc/57/24/96/1304572496.db2.gz NXLSLBWBEVSRCY-FCGDIQPGSA-N 2 0 326.440 3.098 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000781421367 1304825542 /nfs/dbraw/zinc/82/55/42/1304825542.db2.gz QDDWNPNKHYJOCT-MTQWCTHYSA-N 2 0 340.467 3.203 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000782378637 1304965215 /nfs/dbraw/zinc/96/52/15/1304965215.db2.gz JQRFOBPVQADFKT-RTBURBONSA-N 2 0 343.496 3.259 20 0 EGADRP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000891853356 1305187617 /nfs/dbraw/zinc/18/76/17/1305187617.db2.gz KDPLCGFTSZNVHS-UHFFFAOYSA-N 2 0 348.535 3.015 20 0 EGADRP CCOC(CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)OCC ZINC000786971056 1305670185 /nfs/dbraw/zinc/67/01/85/1305670185.db2.gz RPTMNVWOEYORSB-AEFFLSMTSA-N 2 0 326.525 3.408 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cn(C)nc3C3CC3)CC2)CC1 ZINC000893189684 1305751847 /nfs/dbraw/zinc/75/18/47/1305751847.db2.gz RCOUGIWGZFFZHJ-UHFFFAOYSA-N 2 0 330.520 3.430 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@H]2CCc3ccccc32)c2ccccc2)CC1 ZINC000788445757 1305941997 /nfs/dbraw/zinc/94/19/97/1305941997.db2.gz IRLHWVKJTBATDH-GGAORHGYSA-N 2 0 349.522 3.295 20 0 EGADRP C[NH+]1CCC(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000788484714 1305952511 /nfs/dbraw/zinc/95/25/11/1305952511.db2.gz GCOGJKDCSXGUKV-QGZVFWFLSA-N 2 0 340.414 3.003 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc3c2NCCC3)cc1 ZINC000894189865 1306267754 /nfs/dbraw/zinc/26/77/54/1306267754.db2.gz FVHBHACTHFUAFO-UHFFFAOYSA-N 2 0 339.483 3.275 20 0 EGADRP c1cc(N2CCC([NH2+]Cc3nc4c(s3)CCCC4)CC2)cc[nH+]1 ZINC000896824857 1310037594 /nfs/dbraw/zinc/03/75/94/1310037594.db2.gz MFAYMUVOFFTVBJ-UHFFFAOYSA-N 2 0 328.485 3.176 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C(C)(C)C ZINC000799204244 1310512767 /nfs/dbraw/zinc/51/27/67/1310512767.db2.gz SMDPDTQPVLQBJP-MRXNPFEDSA-N 2 0 341.540 3.391 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023761460 1319905270 /nfs/dbraw/zinc/90/52/70/1319905270.db2.gz AHWOSDGCESYRHN-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000839181463 1320887588 /nfs/dbraw/zinc/88/75/88/1320887588.db2.gz IRBQIHWIXQDFCQ-QGZVFWFLSA-N 2 0 346.906 3.406 20 0 EGADRP O=C(NCCC[NH+]1CCCCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000929470554 1328607445 /nfs/dbraw/zinc/60/74/45/1328607445.db2.gz MKBNQHGKHAZURQ-UHFFFAOYSA-N 2 0 347.503 3.261 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000929478476 1328609607 /nfs/dbraw/zinc/60/96/07/1328609607.db2.gz AOPJXFMFAQIZAA-IBGZPJMESA-N 2 0 331.504 3.017 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018968209 1316989051 /nfs/dbraw/zinc/98/90/51/1316989051.db2.gz XYAVSRHVLQZVTA-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001019071787 1317032962 /nfs/dbraw/zinc/03/29/62/1317032962.db2.gz ACTRLVGESQTERV-YJBOKZPZSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019076293 1317035921 /nfs/dbraw/zinc/03/59/21/1317035921.db2.gz UQUBDARGCLGDKL-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001019259605 1317132197 /nfs/dbraw/zinc/13/21/97/1317132197.db2.gz SKIMRMYMEIKXPE-HBFSDRIKSA-N 2 0 343.515 3.039 20 0 EGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900013544 1317217755 /nfs/dbraw/zinc/21/77/55/1317217755.db2.gz KPMQIYZARIRWKS-BRWVUGGUSA-N 2 0 347.528 3.018 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC000957278103 1317256291 /nfs/dbraw/zinc/25/62/91/1317256291.db2.gz FHMXJZRONFRMRI-SJORKVTESA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001019465486 1317260883 /nfs/dbraw/zinc/26/08/83/1317260883.db2.gz DNJNMTUJQCSXMN-ICSRJNTNSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC001019592952 1317299649 /nfs/dbraw/zinc/29/96/49/1317299649.db2.gz AGYMYOAQYIWDFD-PXNSSMCTSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001019816405 1317438839 /nfs/dbraw/zinc/43/88/39/1317438839.db2.gz YQKFVZBKXMOTEZ-QUCCMNQESA-N 2 0 343.515 3.123 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957559141 1317455785 /nfs/dbraw/zinc/45/57/85/1317455785.db2.gz DAUFLZBDOWCJRZ-IBGZPJMESA-N 2 0 349.563 3.362 20 0 EGADRP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000806144847 1317465106 /nfs/dbraw/zinc/46/51/06/1317465106.db2.gz WAOQBOPNXZGNNB-GYTBAZASSA-N 2 0 334.426 3.483 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957569168 1317467694 /nfs/dbraw/zinc/46/76/94/1317467694.db2.gz YJNHSNFMPDFMHS-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)CC1 ZINC000957585707 1317478418 /nfs/dbraw/zinc/47/84/18/1317478418.db2.gz HUQRGCDPMKGXMV-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633338 1317507698 /nfs/dbraw/zinc/50/76/98/1317507698.db2.gz BBLGIXCBBHUNBV-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647950 1317519993 /nfs/dbraw/zinc/51/99/93/1317519993.db2.gz XRZSHVPYDMZFSC-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000902318803 1317562583 /nfs/dbraw/zinc/56/25/83/1317562583.db2.gz JJSKXBMXMLLDRM-HUUCEWRRSA-N 2 0 337.458 3.159 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC000902329951 1317564253 /nfs/dbraw/zinc/56/42/53/1317564253.db2.gz MZMOARLWZGMHLA-QGZVFWFLSA-N 2 0 329.488 3.071 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000902346101 1317566454 /nfs/dbraw/zinc/56/64/54/1317566454.db2.gz GFBCNUZGYPGFDV-IBGZPJMESA-N 2 0 343.515 3.181 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCCCC[NH2+]2)C3)cc1 ZINC000902482757 1317582477 /nfs/dbraw/zinc/58/24/77/1317582477.db2.gz NKAYWTYCEUSEIE-MXEMCNAFSA-N 2 0 327.516 3.304 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020237827 1317604278 /nfs/dbraw/zinc/60/42/78/1317604278.db2.gz DXBJQOPWYQLVHZ-VAMGGRTRSA-N 2 0 347.547 3.092 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC001020239096 1317604322 /nfs/dbraw/zinc/60/43/22/1317604322.db2.gz NTUPHMXPZVMFHM-BZSNNMDCSA-N 2 0 349.544 3.056 20 0 EGADRP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000902792499 1317616658 /nfs/dbraw/zinc/61/66/58/1317616658.db2.gz AOERVWROYOCNJT-PZJWPPBQSA-N 2 0 346.515 3.081 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1)C(C)C ZINC000957760075 1317627625 /nfs/dbraw/zinc/62/76/25/1317627625.db2.gz NTFNBGTUQJNNTD-IBGZPJMESA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000957763284 1317629775 /nfs/dbraw/zinc/62/97/75/1317629775.db2.gz MAMARCVHFNUZFL-KDURUIRLSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[NH+](CC2CCCCCC2)CC1)[NH+]1CCCC1 ZINC000957782658 1317644752 /nfs/dbraw/zinc/64/47/52/1317644752.db2.gz OBKQRZNMIGYHCZ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1OC ZINC000903064949 1317646251 /nfs/dbraw/zinc/64/62/51/1317646251.db2.gz FGYPLYDWBKBCQP-ZNXRZULTSA-N 2 0 330.472 3.341 20 0 EGADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCc2ccccc21 ZINC000903080958 1317649259 /nfs/dbraw/zinc/64/92/59/1317649259.db2.gz KMOJFUVFHKJWFL-XIHRNRATSA-N 2 0 325.500 3.185 20 0 EGADRP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[NH+]2CCCC2)o1 ZINC000903086587 1317650931 /nfs/dbraw/zinc/65/09/31/1317650931.db2.gz PVQAODIEZZPMJG-QZNYNHHHSA-N 2 0 343.515 3.472 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903091449 1317651017 /nfs/dbraw/zinc/65/10/17/1317651017.db2.gz UHEUVHCWWIEOHG-JKSUJKDBSA-N 2 0 339.524 3.142 20 0 EGADRP COc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903122179 1317658443 /nfs/dbraw/zinc/65/84/43/1317658443.db2.gz WRPLTQKLOZXBGD-ZNXRZULTSA-N 2 0 330.472 3.212 20 0 EGADRP C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(Cl)c1 ZINC000903153228 1317664476 /nfs/dbraw/zinc/66/44/76/1317664476.db2.gz RBEVHTOJRJKWNG-ZCTYVAAUSA-N 2 0 334.891 3.295 20 0 EGADRP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](O)c1ccccc1 ZINC000903159420 1317664928 /nfs/dbraw/zinc/66/49/28/1317664928.db2.gz OOPJDQQMDOXEAW-OOHWTWPMSA-N 2 0 328.500 3.492 20 0 EGADRP C[C@@H](O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccccc1 ZINC000903160410 1317665547 /nfs/dbraw/zinc/66/55/47/1317665547.db2.gz LRBPYIYCOIRPFM-KUIDOIOASA-N 2 0 342.527 3.364 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)c1ccccc1 ZINC001020396236 1317677949 /nfs/dbraw/zinc/67/79/49/1317677949.db2.gz LGKSZDLETZKCEJ-BJLQDIEVSA-N 2 0 348.450 3.336 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001020396530 1317678767 /nfs/dbraw/zinc/67/87/67/1317678767.db2.gz ZDWDEWAASBAMLT-WGSAOQKQSA-N 2 0 348.450 3.002 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000903395799 1317695840 /nfs/dbraw/zinc/69/58/40/1317695840.db2.gz GVLXBDUZMGTATJ-KRWDZBQOSA-N 2 0 342.483 3.013 20 0 EGADRP COc1ccc(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903729626 1317727351 /nfs/dbraw/zinc/72/73/51/1317727351.db2.gz PNBSCQTXHIYBHF-HXUWFJFHSA-N 2 0 344.499 3.033 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)O1 ZINC000903768966 1317731409 /nfs/dbraw/zinc/73/14/09/1317731409.db2.gz WDENGSGMSVNNCR-OAGGEKHMSA-N 2 0 334.426 3.198 20 0 EGADRP CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788728 1317733858 /nfs/dbraw/zinc/73/38/58/1317733858.db2.gz PEXKRZBRYUMBCH-RTBURBONSA-N 2 0 328.500 3.413 20 0 EGADRP C[C@]1(Cc2cccs2)CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789221 1317734420 /nfs/dbraw/zinc/73/44/20/1317734420.db2.gz UWFKJCSLSMMODX-SJLPKXTDSA-N 2 0 334.529 3.304 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000903794336 1317736211 /nfs/dbraw/zinc/73/62/11/1317736211.db2.gz QSSGTAHRWKFWBC-UHFFFAOYSA-N 2 0 347.462 3.433 20 0 EGADRP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794559 1317736727 /nfs/dbraw/zinc/73/67/27/1317736727.db2.gz ZQWGMQLGSMSZII-AWEZNQCLSA-N 2 0 326.444 3.001 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939577 1317751891 /nfs/dbraw/zinc/75/18/91/1317751891.db2.gz JOWINNCJIOHBGJ-NSHDSACASA-N 2 0 331.382 3.140 20 0 EGADRP C[N@@H+]1CCCC[C@H](CNCc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000858245830 1328721235 /nfs/dbraw/zinc/72/12/35/1328721235.db2.gz PEXGRCPNARAAMD-GFCCVEGCSA-N 2 0 341.286 3.463 20 0 EGADRP C[C@]1(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000904320607 1317829606 /nfs/dbraw/zinc/82/96/06/1317829606.db2.gz MVPIOSDLJWEOKC-OALUTQOASA-N 2 0 336.907 3.475 20 0 EGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904364983 1317837310 /nfs/dbraw/zinc/83/73/10/1317837310.db2.gz UTPWMHPDGXBUMW-SJLPKXTDSA-N 2 0 332.536 3.350 20 0 EGADRP Cn1cc(-c2ccc(C[NH+]3CCC(C(C)(C)C[NH3+])CC3)s2)cn1 ZINC000904444479 1317848055 /nfs/dbraw/zinc/84/80/55/1317848055.db2.gz NKSCPTWWEDMGBT-UHFFFAOYSA-N 2 0 332.517 3.346 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904658356 1317877129 /nfs/dbraw/zinc/87/71/29/1317877129.db2.gz CXPMCGWKRXFXRU-HNNXBMFYSA-N 2 0 332.492 3.167 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000904661228 1317878761 /nfs/dbraw/zinc/87/87/61/1317878761.db2.gz VZYNXYXOUKMCIA-KRWDZBQOSA-N 2 0 344.503 3.121 20 0 EGADRP Cn1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(-c2cccnc2)n1 ZINC000809738822 1317884496 /nfs/dbraw/zinc/88/44/96/1317884496.db2.gz LQYIQQNNGXLOIZ-UHFFFAOYSA-N 2 0 349.482 3.176 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001020719695 1317885887 /nfs/dbraw/zinc/88/58/87/1317885887.db2.gz PEWJCOVMZPRDHW-LWYYNNOASA-N 2 0 345.531 3.131 20 0 EGADRP C[C@](O)(C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C(F)F ZINC000905073341 1317919511 /nfs/dbraw/zinc/91/95/11/1317919511.db2.gz WDOAWBFMQXDSCO-SFHVURJKSA-N 2 0 326.431 3.168 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001021090207 1318078565 /nfs/dbraw/zinc/07/85/65/1318078565.db2.gz FSLUEOCMRDJLLZ-YOQCTACHSA-N 2 0 347.547 3.066 20 0 EGADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000906516337 1318112426 /nfs/dbraw/zinc/11/24/26/1318112426.db2.gz DTQXBKJIMRRDNX-QAQDUYKDSA-N 2 0 338.480 3.239 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001021357755 1318209209 /nfs/dbraw/zinc/20/92/09/1318209209.db2.gz PLMJMTUXVBVBDS-UMQXSMKFSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)C1 ZINC001021380787 1318222978 /nfs/dbraw/zinc/22/29/78/1318222978.db2.gz VQAQVRGDVSINKT-VOBGVNJCSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000908501878 1318356461 /nfs/dbraw/zinc/35/64/61/1318356461.db2.gz JMQSIYIMVRYXEQ-ZACQAIPSSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)cc1 ZINC000960165199 1318393038 /nfs/dbraw/zinc/39/30/38/1318393038.db2.gz FTMSVVMQBWZLEU-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC000960214370 1318415891 /nfs/dbraw/zinc/41/58/91/1318415891.db2.gz CHRSCOHWAYHKAQ-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960630637 1318755658 /nfs/dbraw/zinc/75/56/58/1318755658.db2.gz XKGFUGNXQATEEX-MSOLQXFVSA-N 2 0 349.544 3.044 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960662472 1318780812 /nfs/dbraw/zinc/78/08/12/1318780812.db2.gz IHLYVXMNYAEDLT-KRWDZBQOSA-N 2 0 349.544 3.146 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@H]2CCCN2C(=O)C[NH+](C)C2CCC2)CC1 ZINC000960666694 1318784546 /nfs/dbraw/zinc/78/45/46/1318784546.db2.gz DVRLKZYEBHCJCS-AFMYVXGZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001022166442 1318825103 /nfs/dbraw/zinc/82/51/03/1318825103.db2.gz VYJMSYVKZPBKSI-PNYFIKQUSA-N 2 0 343.515 3.167 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022195619 1318837593 /nfs/dbraw/zinc/83/75/93/1318837593.db2.gz DXBJQOPWYQLVHZ-AQNXPRMDSA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022350797 1318902653 /nfs/dbraw/zinc/90/26/53/1318902653.db2.gz PRLXMNTZRXQFNN-ZCFHBRKKSA-N 2 0 349.563 3.170 20 0 EGADRP O[C@@H]1CCC[NH+](CCCCCCCC[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000815297171 1318950289 /nfs/dbraw/zinc/95/02/89/1318950289.db2.gz RQVDMEYTWALOLJ-WOJBJXKFSA-N 2 0 340.552 3.021 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001022534417 1318979268 /nfs/dbraw/zinc/97/92/68/1318979268.db2.gz URXVANPTXHGBQA-HDICACEKSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001022536394 1318980282 /nfs/dbraw/zinc/98/02/82/1318980282.db2.gz UXAOKWXICLMNNS-CEXWTWQISA-N 2 0 343.515 3.249 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C1CC[NH+](C)CC1 ZINC000815635406 1319032747 /nfs/dbraw/zinc/03/27/47/1319032747.db2.gz BUUUNWBJNKOMLN-JKSUJKDBSA-N 2 0 345.487 3.414 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)c1 ZINC001022886879 1319150944 /nfs/dbraw/zinc/15/09/44/1319150944.db2.gz QIDLUDDDMWIAGR-YSIASYRMSA-N 2 0 343.515 3.025 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)c1ccsc1 ZINC000930217812 1328814648 /nfs/dbraw/zinc/81/46/48/1328814648.db2.gz FWUASDMFKFHNKO-HNNXBMFYSA-N 2 0 325.522 3.025 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231089 1319361199 /nfs/dbraw/zinc/36/11/99/1319361199.db2.gz PLRNOEAFNZWLHD-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000817899994 1319455666 /nfs/dbraw/zinc/45/56/66/1319455666.db2.gz JJTXJONRXDKWCG-RCCFBDPRSA-N 2 0 332.488 3.493 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902363 1319456682 /nfs/dbraw/zinc/45/66/82/1319456682.db2.gz OVUDORRWVFGNEJ-DOMZBBRYSA-N 2 0 329.257 3.238 20 0 EGADRP COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)c21 ZINC000817920917 1319461699 /nfs/dbraw/zinc/46/16/99/1319461699.db2.gz YETIWCVJHWBDNH-CYBMUJFWSA-N 2 0 338.455 3.232 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000817925118 1319463374 /nfs/dbraw/zinc/46/33/74/1319463374.db2.gz RMPMXHKCYJGHDM-IHJVYAAUSA-N 2 0 331.504 3.112 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817946170 1319471477 /nfs/dbraw/zinc/47/14/77/1319471477.db2.gz SYYAFYOKUDTPAE-MSOLQXFVSA-N 2 0 345.531 3.331 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC ZINC000817948924 1319473358 /nfs/dbraw/zinc/47/33/58/1319473358.db2.gz MNKRSZGODYXJTK-OAHLLOKOSA-N 2 0 328.456 3.364 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817948783 1319473678 /nfs/dbraw/zinc/47/36/78/1319473678.db2.gz KZELWKYFRJKHCR-NRFANRHFSA-N 2 0 349.482 3.009 20 0 EGADRP CC[C@H]([NH2+]CCC[NH2+]C(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817953349 1319475312 /nfs/dbraw/zinc/47/53/12/1319475312.db2.gz KZOFHUWVAPMJOS-JKSUJKDBSA-N 2 0 327.513 3.142 20 0 EGADRP CC[NH2+][C@H](C)CN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817972113 1319481043 /nfs/dbraw/zinc/48/10/43/1319481043.db2.gz JWBWGZAJRXKLKP-IAGOWNOFSA-N 2 0 333.520 3.330 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023370682 1319482441 /nfs/dbraw/zinc/48/24/41/1319482441.db2.gz MUUBOQIWKHFORG-RTBURBONSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023404017 1319511411 /nfs/dbraw/zinc/51/14/11/1319511411.db2.gz PBDNPFIBOBFIJU-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961411453 1319567008 /nfs/dbraw/zinc/56/70/08/1319567008.db2.gz NNKNKLKLGKHXAI-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000961419887 1319579188 /nfs/dbraw/zinc/57/91/88/1319579188.db2.gz HUCSTSLMRXXBKG-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1c(F)cccc1F ZINC000818943734 1319582784 /nfs/dbraw/zinc/58/27/84/1319582784.db2.gz YZDWRGKYCARVIB-LJQANCHMSA-N 2 0 346.421 3.384 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000818967357 1319594487 /nfs/dbraw/zinc/59/44/87/1319594487.db2.gz UFDMMCNQYWSGFC-CJNGLKHVSA-N 2 0 330.394 3.060 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000818984896 1319605149 /nfs/dbraw/zinc/60/51/49/1319605149.db2.gz MMKLPCCSUPFTSD-SFHVURJKSA-N 2 0 348.874 3.104 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818985891 1319605857 /nfs/dbraw/zinc/60/58/57/1319605857.db2.gz ZIBFGGHSSCMZHJ-GUYCJALGSA-N 2 0 328.859 3.223 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000819102517 1319636958 /nfs/dbraw/zinc/63/69/58/1319636958.db2.gz KVQINPGYVHZZBF-DOMZBBRYSA-N 2 0 332.410 3.305 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819105552 1319637156 /nfs/dbraw/zinc/63/71/56/1319637156.db2.gz HDEZHLKSOHEEAG-KRWDZBQOSA-N 2 0 328.859 3.224 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000819143075 1319647727 /nfs/dbraw/zinc/64/77/27/1319647727.db2.gz VNRMKCXTNSWBOY-SFHVURJKSA-N 2 0 340.458 3.346 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001023555547 1319666162 /nfs/dbraw/zinc/66/61/62/1319666162.db2.gz WWVKYBCJAJTWMU-SXLOBPIMSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819366540 1319710502 /nfs/dbraw/zinc/71/05/02/1319710502.db2.gz RREVZLFMIQRTMA-BBRMVZONSA-N 2 0 330.394 3.060 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962024728 1319803194 /nfs/dbraw/zinc/80/31/94/1319803194.db2.gz REYIUGVYQCKMNL-SOAGJPPSSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761539 1319909331 /nfs/dbraw/zinc/90/93/31/1319909331.db2.gz BZRBOZJMKQBRSP-IBGZPJMESA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H](C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000962385571 1319945021 /nfs/dbraw/zinc/94/50/21/1319945021.db2.gz QWJHTXKWMOTNSD-QHGAOEGBSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc(C[NH+](C)C)c1 ZINC000820804826 1319955390 /nfs/dbraw/zinc/95/53/90/1319955390.db2.gz ADNNAHXGADGTQH-HNNXBMFYSA-N 2 0 326.440 3.370 20 0 EGADRP Cn1cncc1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820840747 1319966486 /nfs/dbraw/zinc/96/64/86/1319966486.db2.gz BNQUZLNMBIJVPJ-IHWFROFDSA-N 2 0 338.499 3.138 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000822659364 1320109604 /nfs/dbraw/zinc/10/96/04/1320109604.db2.gz PKDRKISHCRLYDX-DLBZAZTESA-N 2 0 326.444 3.188 20 0 EGADRP CC[NH+](CC)CCC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824081185 1320226857 /nfs/dbraw/zinc/22/68/57/1320226857.db2.gz SVJWJYHEWKHFOK-DLBZAZTESA-N 2 0 341.540 3.344 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCC(=O)N2CCCC2)CC1)CC(C)C ZINC000838912749 1320833825 /nfs/dbraw/zinc/83/38/25/1320833825.db2.gz NBVXPQBXRNXPAY-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2csc3ccccc32)CC1 ZINC000839552002 1320936949 /nfs/dbraw/zinc/93/69/49/1320936949.db2.gz HCPQJFHEUOXXEA-CQSZACIVSA-N 2 0 345.512 3.152 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)nc1 ZINC000840809725 1321153381 /nfs/dbraw/zinc/15/33/81/1321153381.db2.gz NDRQZHQCENMWFF-OLZOCXBDSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(Br)ncc1F ZINC000840810379 1321154268 /nfs/dbraw/zinc/15/42/68/1321154268.db2.gz SUBQJEPKFUOMLS-NEPJUHHUSA-N 2 0 344.272 3.366 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000841330656 1321258009 /nfs/dbraw/zinc/25/80/09/1321258009.db2.gz TWZKWRAUWJSIAY-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474053 1321393391 /nfs/dbraw/zinc/39/33/91/1321393391.db2.gz CFIXVYMVBHVEAE-YJBOKZPZSA-N 2 0 326.440 3.065 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843053364 1321462521 /nfs/dbraw/zinc/46/25/21/1321462521.db2.gz XZFKWXUOJOWHOX-ZDUSSCGKSA-N 2 0 332.879 3.393 20 0 EGADRP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C1CCC([NH3+])CC1 ZINC000843054733 1321463390 /nfs/dbraw/zinc/46/33/90/1321463390.db2.gz DSACVKIXKBGRJS-UHFFFAOYSA-N 2 0 325.456 3.362 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000843186672 1321484226 /nfs/dbraw/zinc/48/42/26/1321484226.db2.gz BMESQLXQFKWDGW-OAHLLOKOSA-N 2 0 346.475 3.374 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000843341577 1321501951 /nfs/dbraw/zinc/50/19/51/1321501951.db2.gz VMLGUVUOJBWXSH-CIAFKFPVSA-N 2 0 336.479 3.365 20 0 EGADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(I)cc1 ZINC000843341875 1321502158 /nfs/dbraw/zinc/50/21/58/1321502158.db2.gz HZRSIPPUBADHOG-GFCCVEGCSA-N 2 0 346.256 3.461 20 0 EGADRP [NH3+]CCCCCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000843341999 1321502395 /nfs/dbraw/zinc/50/23/95/1321502395.db2.gz MNONOZKNHSRNCI-AWEZNQCLSA-N 2 0 325.294 3.415 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354676 1321505158 /nfs/dbraw/zinc/50/51/58/1321505158.db2.gz BRKJPMGHZOIDLP-NVPAJSRCSA-N 2 0 337.895 3.061 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000843361011 1321506223 /nfs/dbraw/zinc/50/62/23/1321506223.db2.gz PXVQASCSMZFQIM-GOOCMWNKSA-N 2 0 328.378 3.428 20 0 EGADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1sccc1C[NH+](C)C ZINC000843785820 1321548014 /nfs/dbraw/zinc/54/80/14/1321548014.db2.gz RZYMVIYWWBLJST-UHFFFAOYSA-N 2 0 345.512 3.144 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000844910767 1321656913 /nfs/dbraw/zinc/65/69/13/1321656913.db2.gz IYAOZXFQFYFNKS-UHFFFAOYSA-N 2 0 346.906 3.454 20 0 EGADRP CCC[NH+](CCC)c1ccc(NC2CCN(CC(=O)OC)CC2)cc1 ZINC000846056145 1321765109 /nfs/dbraw/zinc/76/51/09/1321765109.db2.gz FRNXQPXGCOWAAE-UHFFFAOYSA-N 2 0 347.503 3.362 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000848894845 1322033822 /nfs/dbraw/zinc/03/38/22/1322033822.db2.gz PQTNFFGBUGIRHN-OFAQMXQXSA-N 2 0 334.460 3.210 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(F)(F)c1ccc(Cl)cc1 ZINC000849051056 1322059142 /nfs/dbraw/zinc/05/91/42/1322059142.db2.gz UKUYKLPQKPYTHR-CQSZACIVSA-N 2 0 344.837 3.030 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)C1 ZINC000849058476 1322062332 /nfs/dbraw/zinc/06/23/32/1322062332.db2.gz GXLFWZWAHAXSAI-KRWDZBQOSA-N 2 0 328.504 3.429 20 0 EGADRP CC(C)(C)SCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849071133 1322066239 /nfs/dbraw/zinc/06/62/39/1322066239.db2.gz ZNNVLTIJEHLUEO-UHFFFAOYSA-N 2 0 348.560 3.297 20 0 EGADRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083507 1322071161 /nfs/dbraw/zinc/07/11/61/1322071161.db2.gz VUVFZPRCDBOSJW-LLVKDONJSA-N 2 0 342.365 3.006 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849084068 1322071957 /nfs/dbraw/zinc/07/19/57/1322071957.db2.gz VYDMZSFZBLUKOI-LLVKDONJSA-N 2 0 332.370 3.252 20 0 EGADRP [NH2+]=C(NCC1=CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849112808 1322082776 /nfs/dbraw/zinc/08/27/76/1322082776.db2.gz DLVPZYVRCRASHO-UHFFFAOYSA-N 2 0 326.488 3.265 20 0 EGADRP C([NH2+][C@H]1CC[C@H]2SCCS[C@@H]21)C1CC[NH+](CC2CC2)CC1 ZINC000850582109 1322273229 /nfs/dbraw/zinc/27/32/29/1322273229.db2.gz HNJWPEUQHNQMPK-GVDBMIGSSA-N 2 0 326.575 3.078 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921535973 1322343727 /nfs/dbraw/zinc/34/37/27/1322343727.db2.gz MPDYRTSDSFQGQV-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000921979534 1322434375 /nfs/dbraw/zinc/43/43/75/1322434375.db2.gz FYVTXIFIMSTXHI-HSALFYBXSA-N 2 0 348.556 3.407 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C2 ZINC000922387912 1322515149 /nfs/dbraw/zinc/51/51/49/1322515149.db2.gz MOKKFCPOEKIWNJ-BDXSIMOUSA-N 2 0 340.870 3.048 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1coc3ccccc13)C2 ZINC000922386634 1322515510 /nfs/dbraw/zinc/51/55/10/1322515510.db2.gz HLEDZIOBCKCVMD-JYBIWHBTSA-N 2 0 328.456 3.002 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000922389911 1322517052 /nfs/dbraw/zinc/51/70/52/1322517052.db2.gz YYDRFAGWXASQQM-MKXGPGLRSA-N 2 0 336.907 3.218 20 0 EGADRP O=C(CCC1CCCC1)N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923304721 1322729629 /nfs/dbraw/zinc/72/96/29/1322729629.db2.gz SRLWRMLSDWGFSC-IHWFROFDSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000923326368 1322734460 /nfs/dbraw/zinc/73/44/60/1322734460.db2.gz GMKWQJCHBIPJTD-MRXNPFEDSA-N 2 0 344.421 3.073 20 0 EGADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000923388682 1322744273 /nfs/dbraw/zinc/74/42/73/1322744273.db2.gz TUNVIRIYSHJIMN-XZJROXQQSA-N 2 0 329.271 3.088 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000923823162 1322818237 /nfs/dbraw/zinc/81/82/37/1322818237.db2.gz OAQPNRLPIISFGQ-KRWDZBQOSA-N 2 0 344.459 3.222 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000931118513 1329054685 /nfs/dbraw/zinc/05/46/85/1329054685.db2.gz VICUVPQOCSQVRR-KRWDZBQOSA-N 2 0 347.503 3.116 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001023995488 1323067960 /nfs/dbraw/zinc/06/79/60/1323067960.db2.gz NKZPZIZRHBTJHL-HSALFYBXSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924629289 1323083701 /nfs/dbraw/zinc/08/37/01/1323083701.db2.gz OJJLGHXLVRDILA-MRXNPFEDSA-N 2 0 342.487 3.018 20 0 EGADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000924679576 1323109588 /nfs/dbraw/zinc/10/95/88/1323109588.db2.gz LDDIOLGRHLADKP-UWVAXJGDSA-N 2 0 343.515 3.065 20 0 EGADRP CON1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000924681681 1323111836 /nfs/dbraw/zinc/11/18/36/1323111836.db2.gz ZWLGFZXMEUOIBZ-QGZVFWFLSA-N 2 0 331.504 3.034 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684178 1323112705 /nfs/dbraw/zinc/11/27/05/1323112705.db2.gz JPGKTJRYUMGFCE-KZNAEPCWSA-N 2 0 341.503 3.286 20 0 EGADRP COCCOc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924692360 1323115000 /nfs/dbraw/zinc/11/50/00/1323115000.db2.gz NPVUHJNGGUKNQW-INIZCTEOSA-N 2 0 343.471 3.019 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cnnn1C ZINC000924731533 1323137334 /nfs/dbraw/zinc/13/73/34/1323137334.db2.gz VBDASNRNRIXRTA-MRXNPFEDSA-N 2 0 341.503 3.430 20 0 EGADRP c1ccc(C[NH2+]C2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)cc1 ZINC000852115685 1323150253 /nfs/dbraw/zinc/15/02/53/1323150253.db2.gz JORZJWIWVWHNRY-UHFFFAOYSA-N 2 0 344.499 3.174 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cnnn1C ZINC000924862372 1323190393 /nfs/dbraw/zinc/19/03/93/1323190393.db2.gz ULACFKAJJWSPNP-INIZCTEOSA-N 2 0 327.476 3.042 20 0 EGADRP Cc1cc(C[NH2+]C2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)cs1 ZINC000963158268 1323219632 /nfs/dbraw/zinc/21/96/32/1323219632.db2.gz WHTPQUUSZHBHEF-DAWZGUTISA-N 2 0 349.544 3.010 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1coc2ccccc12 ZINC000925042743 1323253949 /nfs/dbraw/zinc/25/39/49/1323253949.db2.gz SWPGZXOCBBMIRO-JKSUJKDBSA-N 2 0 327.472 3.252 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)CC1 ZINC000853062362 1323271757 /nfs/dbraw/zinc/27/17/57/1323271757.db2.gz MNKJPFAXABDDKT-OAQYLSRUSA-N 2 0 339.483 3.137 20 0 EGADRP CS[C@@H](CO)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925109362 1323286059 /nfs/dbraw/zinc/28/60/59/1323286059.db2.gz DMFDCSUMUDVTFG-PANBIXPWSA-N 2 0 348.556 3.274 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCCC1 ZINC001024365953 1323338971 /nfs/dbraw/zinc/33/89/71/1323338971.db2.gz KXKICFMQUIFEMS-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024365804 1323339038 /nfs/dbraw/zinc/33/90/38/1323339038.db2.gz HYXRFYMGIOZPEF-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024437665 1323398492 /nfs/dbraw/zinc/39/84/92/1323398492.db2.gz UWICMLCKCLKDLI-QZTJIDSGSA-N 2 0 349.544 3.092 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC(C)(C)C)CC[N@@H+]1C ZINC001024448178 1323407447 /nfs/dbraw/zinc/40/74/47/1323407447.db2.gz FBWAISFUSLDSSH-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCC2)CC[N@@H+]1C ZINC001024448327 1323407769 /nfs/dbraw/zinc/40/77/69/1323407769.db2.gz JKUSHFJYLURRFR-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024469573 1323424318 /nfs/dbraw/zinc/42/43/18/1323424318.db2.gz TUPZPCLUVPDSEO-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)cs1 ZINC001024513487 1323464122 /nfs/dbraw/zinc/46/41/22/1323464122.db2.gz QAWYCISGWHNLKC-ROUUACIJSA-N 2 0 349.544 3.012 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617070 1323545041 /nfs/dbraw/zinc/54/50/41/1323545041.db2.gz AVJFPNVKAPLSED-OALUTQOASA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737899 1323638339 /nfs/dbraw/zinc/63/83/39/1323638339.db2.gz PJTOSIBNJLDGRO-IBGZPJMESA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811310 1323714660 /nfs/dbraw/zinc/71/46/60/1323714660.db2.gz PPXLEWJAPPWCKP-RBUKOAKNSA-N 2 0 349.494 3.081 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024812710 1323716010 /nfs/dbraw/zinc/71/60/10/1323716010.db2.gz ROCXXCAWOAWYPS-MSOLQXFVSA-N 2 0 349.544 3.093 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001024902148 1323772581 /nfs/dbraw/zinc/77/25/81/1323772581.db2.gz IYWCIZYLNYRMBW-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001024967723 1323804463 /nfs/dbraw/zinc/80/44/63/1323804463.db2.gz FYJLGNLQJQHRQE-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)CCC1 ZINC001024982729 1323813136 /nfs/dbraw/zinc/81/31/36/1323813136.db2.gz ZSHXITKNQYPESI-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025084758 1323886298 /nfs/dbraw/zinc/88/62/98/1323886298.db2.gz GWCJDMGOEDQJGM-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025168401 1323936945 /nfs/dbraw/zinc/93/69/45/1323936945.db2.gz BZXAJFGOVQIXOY-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259052 1324069333 /nfs/dbraw/zinc/06/93/33/1324069333.db2.gz NDJDLUBJYGWOTI-MSOLQXFVSA-N 2 0 335.536 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279536 1324101645 /nfs/dbraw/zinc/10/16/45/1324101645.db2.gz DDUZLFDXFOTTQM-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293896 1324121685 /nfs/dbraw/zinc/12/16/85/1324121685.db2.gz GMOORCAAQBBHBI-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484650 1324333506 /nfs/dbraw/zinc/33/35/06/1324333506.db2.gz HEPUJFNDIIDTIA-IRXDYDNUSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025485494 1324334787 /nfs/dbraw/zinc/33/47/87/1324334787.db2.gz NVUNJDMHYPZPIH-IRXDYDNUSA-N 2 0 340.471 3.131 20 0 EGADRP CC(C)(C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001026847486 1325043915 /nfs/dbraw/zinc/04/39/15/1325043915.db2.gz YHUAJWAYRHQDAA-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026920644 1325084367 /nfs/dbraw/zinc/08/43/67/1325084367.db2.gz GBQZATRUOJVAMT-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCS[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925225550 1325088220 /nfs/dbraw/zinc/08/82/20/1325088220.db2.gz HCCHBEATQFYGSN-FVAVCCDCSA-N 2 0 326.550 3.282 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026932420 1325089413 /nfs/dbraw/zinc/08/94/13/1325089413.db2.gz YQXRYKHBKAXYKU-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001026988508 1325127273 /nfs/dbraw/zinc/12/72/73/1325127273.db2.gz IAVPTEWZRBQHAT-ZWKOTPCHSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]CCc2nc3c(cccc3F)n2C)CC1 ZINC000925412403 1325144860 /nfs/dbraw/zinc/14/48/60/1325144860.db2.gz FWPAWTYUGCCYPU-UHFFFAOYSA-N 2 0 346.494 3.355 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001027017671 1325157644 /nfs/dbraw/zinc/15/76/44/1325157644.db2.gz ZJOSOESIDRBTPN-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP COCCOC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925470884 1325165011 /nfs/dbraw/zinc/16/50/11/1325165011.db2.gz OWFUIEWKLSJXED-XSLAUPDRSA-N 2 0 346.515 3.213 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccccc1 ZINC000925493275 1325175150 /nfs/dbraw/zinc/17/51/50/1325175150.db2.gz JTIUMBDRLMJXHS-IBGZPJMESA-N 2 0 339.439 3.213 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000925513399 1325186081 /nfs/dbraw/zinc/18/60/81/1325186081.db2.gz JGRAOLRHPHRQIH-FQEVSTJZSA-N 2 0 337.467 3.383 20 0 EGADRP CC(C)[NH2+]Cc1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000854145692 1325219102 /nfs/dbraw/zinc/21/91/02/1325219102.db2.gz VURRFLXSZIAGNE-UHFFFAOYSA-N 2 0 328.460 3.467 20 0 EGADRP [NH3+]C[C@@H]1CCCc2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc21 ZINC000854155299 1325221988 /nfs/dbraw/zinc/22/19/88/1325221988.db2.gz TYKJJERPRUFHMK-INIZCTEOSA-N 2 0 345.406 3.430 20 0 EGADRP C[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001027104006 1325229119 /nfs/dbraw/zinc/22/91/19/1325229119.db2.gz KHBLHWVYOMYBSD-ICSRJNTNSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221793 1325230229 /nfs/dbraw/zinc/23/02/29/1325230229.db2.gz VODJUZYLNCQHHH-USCONSEESA-N 2 0 334.463 3.421 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000925652508 1325249275 /nfs/dbraw/zinc/24/92/75/1325249275.db2.gz QJAOTLFHJMVVDO-KEQGVFOMSA-N 2 0 346.490 3.005 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000925806073 1325309112 /nfs/dbraw/zinc/30/91/12/1325309112.db2.gz XSSZHGGVUWZCDS-GXTWGEPZSA-N 2 0 332.414 3.111 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000925861182 1325334456 /nfs/dbraw/zinc/33/44/56/1325334456.db2.gz ODGIIIWSZFNSLM-YZDRJCRTSA-N 2 0 327.516 3.476 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000925861181 1325334826 /nfs/dbraw/zinc/33/48/26/1325334826.db2.gz ODGIIIWSZFNSLM-RKDVLTNBSA-N 2 0 327.516 3.476 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000963728279 1325389569 /nfs/dbraw/zinc/38/95/69/1325389569.db2.gz MUGWOIOBJIVZDT-UHFFFAOYSA-N 2 0 345.531 3.172 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000926142191 1325444661 /nfs/dbraw/zinc/44/46/61/1325444661.db2.gz JPOVMUIAKPKATE-QINHECLXSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926249758 1325491043 /nfs/dbraw/zinc/49/10/43/1325491043.db2.gz DSSFLFNDYUZNRQ-UWJYYQICSA-N 2 0 326.484 3.311 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000926285061 1325503097 /nfs/dbraw/zinc/50/30/97/1325503097.db2.gz OHHIFSOHFIGMIV-LEWJYISDSA-N 2 0 348.506 3.392 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000964437030 1325525321 /nfs/dbraw/zinc/52/53/21/1325525321.db2.gz JUMVPTJOLLYUNO-CTWPCTMYSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926377914 1325533291 /nfs/dbraw/zinc/53/32/91/1325533291.db2.gz MHDJHRYDBWNZIY-SFTDATJTSA-N 2 0 346.515 3.310 20 0 EGADRP C[C@@H]1CC2(CC([NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)C2)CO1 ZINC000926377315 1325533605 /nfs/dbraw/zinc/53/36/05/1325533605.db2.gz JEPADYDADTVUGP-SRWJYRBRSA-N 2 0 344.499 3.207 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c(OC)n1 ZINC000926459805 1325562499 /nfs/dbraw/zinc/56/24/99/1325562499.db2.gz YUTFPJJQOXBCEQ-CQSZACIVSA-N 2 0 329.444 3.011 20 0 EGADRP CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857090308 1325571603 /nfs/dbraw/zinc/57/16/03/1325571603.db2.gz PTYWMINMIAVGKJ-UXHICEINSA-N 2 0 343.515 3.098 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(-n2cnnc2)c1 ZINC000926488061 1325572936 /nfs/dbraw/zinc/57/29/36/1325572936.db2.gz SUCOJXNZNGXKKC-QGZVFWFLSA-N 2 0 327.476 3.184 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(-n2cnnc2)c1 ZINC000926488060 1325573121 /nfs/dbraw/zinc/57/31/21/1325573121.db2.gz SUCOJXNZNGXKKC-KRWDZBQOSA-N 2 0 327.476 3.184 20 0 EGADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857132259 1325578174 /nfs/dbraw/zinc/57/81/74/1325578174.db2.gz ZIJLMFSAUVYKOA-PMACEKPBSA-N 2 0 343.515 3.100 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C[C@H]1C ZINC000857165768 1325587245 /nfs/dbraw/zinc/58/72/45/1325587245.db2.gz AVOWEPNZRHGHJY-FUHIMQAGSA-N 2 0 343.515 3.051 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC001027441932 1327681618 /nfs/dbraw/zinc/68/16/18/1327681618.db2.gz YZKNSZMADWTZCD-LJQANCHMSA-N 2 0 347.547 3.284 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447932 1327691426 /nfs/dbraw/zinc/69/14/26/1327691426.db2.gz BUODASWRYXMFHI-QZTJIDSGSA-N 2 0 349.544 3.045 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2ncnn21 ZINC000926791635 1327719600 /nfs/dbraw/zinc/71/96/00/1327719600.db2.gz TURBGZKBDFRWQA-LPHOPBHVSA-N 2 0 339.487 3.176 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000927089897 1327856607 /nfs/dbraw/zinc/85/66/07/1327856607.db2.gz GWXQQEYQQSOUPB-INIZCTEOSA-N 2 0 340.467 3.413 20 0 EGADRP CCc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)c1 ZINC001027581967 1327915686 /nfs/dbraw/zinc/91/56/86/1327915686.db2.gz JGAIMPVVKMUFKN-PMACEKPBSA-N 2 0 345.531 3.012 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCC2)C1 ZINC001027647250 1328027037 /nfs/dbraw/zinc/02/70/37/1328027037.db2.gz MDRYQMYUWUDIIT-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929672 1328407910 /nfs/dbraw/zinc/40/79/10/1328407910.db2.gz HWNKJOLZZMAKTD-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003462 1328464590 /nfs/dbraw/zinc/46/45/90/1328464590.db2.gz OOMQSDBVGVHYFL-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000866467379 1330116200 /nfs/dbraw/zinc/11/62/00/1330116200.db2.gz GKHLNHASEFWXMH-YTQUADARSA-N 2 0 338.536 3.454 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000866470118 1330116475 /nfs/dbraw/zinc/11/64/75/1330116475.db2.gz RUGWFCKXFJHSQK-QGZVFWFLSA-N 2 0 326.488 3.373 20 0 EGADRP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666816 1330139628 /nfs/dbraw/zinc/13/96/28/1330139628.db2.gz XOKNRERZWZHRSD-JYJNAYRXSA-N 2 0 349.906 3.297 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)CC2(C)C)CC1 ZINC000941001839 1331290917 /nfs/dbraw/zinc/29/09/17/1331290917.db2.gz AJQBJQHHIOFOMG-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941029615 1331300779 /nfs/dbraw/zinc/30/07/79/1331300779.db2.gz XVMBFFHYSFXNEY-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)c1nccn1CC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC000941068716 1331318837 /nfs/dbraw/zinc/31/88/37/1331318837.db2.gz STMSNALZBAGEAM-KRWDZBQOSA-N 2 0 346.519 3.023 20 0 EGADRP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)CC1(C)C ZINC000941186285 1331376095 /nfs/dbraw/zinc/37/60/95/1331376095.db2.gz IATWKAHPSZHNQD-GOSISDBHSA-N 2 0 346.519 3.058 20 0 EGADRP C[C@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098883 1331829576 /nfs/dbraw/zinc/82/95/76/1331829576.db2.gz CHJHBMZQFMTKGM-WMLDXEAASA-N 2 0 349.544 3.050 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581124 1331986776 /nfs/dbraw/zinc/98/67/76/1331986776.db2.gz AKMZHAOIMFBLIN-MAUKXSAKSA-N 2 0 349.519 3.218 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821120 1332042423 /nfs/dbraw/zinc/04/24/23/1332042423.db2.gz BSXIIMKUCUXFOA-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943290420 1332139707 /nfs/dbraw/zinc/13/97/07/1332139707.db2.gz XIURFBGWDSLERC-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)C[C@@H]2C)CC1 ZINC000943756177 1332254731 /nfs/dbraw/zinc/25/47/31/1332254731.db2.gz MDHRVBOXVVPMSU-AZUAARDMSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCCC1CCC1 ZINC000947493057 1333145694 /nfs/dbraw/zinc/14/56/94/1333145694.db2.gz PSTSPMKHZXLNIB-HKUYNNGSSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC000947684704 1333222447 /nfs/dbraw/zinc/22/24/47/1333222447.db2.gz JNKCECVXNRZOFW-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCCC1CCC1 ZINC000947725864 1333241144 /nfs/dbraw/zinc/24/11/44/1333241144.db2.gz DYULJPBRZQYHKX-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947907266 1333301186 /nfs/dbraw/zinc/30/11/86/1333301186.db2.gz FXMLUGCGLAILBC-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC000948386115 1333503894 /nfs/dbraw/zinc/50/38/94/1333503894.db2.gz STYSNGMQOPDDMQ-BHIYHBOVSA-N 2 0 349.563 3.076 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC000948386073 1333504142 /nfs/dbraw/zinc/50/41/42/1333504142.db2.gz SKFMCYXMSYRRNO-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948416466 1333516958 /nfs/dbraw/zinc/51/69/58/1333516958.db2.gz GKPUOHCDONUUDX-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948553926 1333572240 /nfs/dbraw/zinc/57/22/40/1333572240.db2.gz OGRNYZLLUJNJTC-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717460 1333645081 /nfs/dbraw/zinc/64/50/81/1333645081.db2.gz URPCSKMCXRHPGM-FHWLQOOXSA-N 2 0 337.552 3.076 20 0 EGADRP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948725814 1333648173 /nfs/dbraw/zinc/64/81/73/1333648173.db2.gz IVQHBCSEBTVDSE-GOSISDBHSA-N 2 0 347.503 3.068 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC000948765865 1333669019 /nfs/dbraw/zinc/66/90/19/1333669019.db2.gz DKSULBOLKSAWGB-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000949824768 1333934057 /nfs/dbraw/zinc/93/40/57/1333934057.db2.gz OJPGMXAAESDKQX-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000950631200 1334099320 /nfs/dbraw/zinc/09/93/20/1334099320.db2.gz GDVSTAYCBMNEOJ-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000951362251 1334231326 /nfs/dbraw/zinc/23/13/26/1334231326.db2.gz NVBOPMUUAJILCH-XLIONFOSSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000952443823 1334460729 /nfs/dbraw/zinc/46/07/29/1334460729.db2.gz DAPZZUFPKVLXPM-ICSRJNTNSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CC[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968194006 1335869258 /nfs/dbraw/zinc/86/92/58/1335869258.db2.gz XLWUZORAAZKTCN-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330593 1335891092 /nfs/dbraw/zinc/89/10/92/1335891092.db2.gz BREUUJAAUGGNQW-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968835742 1336063661 /nfs/dbraw/zinc/06/36/61/1336063661.db2.gz MEXLGMJCFPBGHG-QGZVFWFLSA-N 2 0 349.544 3.194 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968888729 1336080304 /nfs/dbraw/zinc/08/03/04/1336080304.db2.gz YMKQDXCHGVRMEH-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CC1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888585 1336080474 /nfs/dbraw/zinc/08/04/74/1336080474.db2.gz VZDIGJKVYOHOGL-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888583 1336080962 /nfs/dbraw/zinc/08/09/62/1336080962.db2.gz VZDIGJKVYOHOGL-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC=C(C)C)C1 ZINC000968991130 1336112524 /nfs/dbraw/zinc/11/25/24/1336112524.db2.gz WAURNUSADDMREX-PMACEKPBSA-N 2 0 349.563 3.435 20 0 EGADRP O=C(NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1)C12CC[NH+](CC1)C2 ZINC000969118227 1336150153 /nfs/dbraw/zinc/15/01/53/1336150153.db2.gz IUCNFTSILLDFCB-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000969130970 1336154307 /nfs/dbraw/zinc/15/43/07/1336154307.db2.gz UPAPDXRRDXIQKE-NQIIRXRSSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000969170707 1336170829 /nfs/dbraw/zinc/17/08/29/1336170829.db2.gz UQUBDARGCLGDKL-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969969662 1336267779 /nfs/dbraw/zinc/26/77/79/1336267779.db2.gz PDQLICWRNLDSET-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325838 1336294769 /nfs/dbraw/zinc/29/47/69/1336294769.db2.gz KHLQKOHPWMPEPM-LPHOPBHVSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005478684 1336358296 /nfs/dbraw/zinc/35/82/96/1336358296.db2.gz WRZBUDZGKWEWKX-HXUWFJFHSA-N 2 0 347.547 3.284 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001005504502 1336363515 /nfs/dbraw/zinc/36/35/15/1336363515.db2.gz SFECZVPFBPPYSX-FQEVSTJZSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005640219 1336387085 /nfs/dbraw/zinc/38/70/85/1336387085.db2.gz OBLDXBAXNVRGLH-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001005992829 1336435537 /nfs/dbraw/zinc/43/55/37/1336435537.db2.gz VVGFCCBLRGOWBD-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001006413975 1336501556 /nfs/dbraw/zinc/50/15/56/1336501556.db2.gz VLIKQZLKDNGUEQ-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007457766 1336651231 /nfs/dbraw/zinc/65/12/31/1336651231.db2.gz RQRYIBBQNZPUHR-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007646784 1336683424 /nfs/dbraw/zinc/68/34/24/1336683424.db2.gz QGWVOETYRNLKCB-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205913200 1370908387 /nfs/dbraw/zinc/90/83/87/1370908387.db2.gz HMIWYNBVJNEEGZ-VXGBXAGGSA-N 2 0 336.277 3.490 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001007725077 1336691233 /nfs/dbraw/zinc/69/12/33/1336691233.db2.gz YETMUPFHIDKSEO-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001007791020 1336701195 /nfs/dbraw/zinc/70/11/95/1336701195.db2.gz YXQBXFKFUWRMDO-CTWPCTMYSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007956881 1336738513 /nfs/dbraw/zinc/73/85/13/1336738513.db2.gz YVOYSOOEQDYOHK-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001205991389 1370932478 /nfs/dbraw/zinc/93/24/78/1370932478.db2.gz ANNCCLSKIGCYPW-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001008277226 1336812736 /nfs/dbraw/zinc/81/27/36/1336812736.db2.gz MWTHRVZBORRCBA-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008297145 1336817416 /nfs/dbraw/zinc/81/74/16/1336817416.db2.gz BVKZZZONDZJVRL-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008401884 1336843122 /nfs/dbraw/zinc/84/31/22/1336843122.db2.gz XSMKNPKBMRGYSB-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001008552886 1336880013 /nfs/dbraw/zinc/88/00/13/1336880013.db2.gz RMDVUVGEBDQANO-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008553598 1336880282 /nfs/dbraw/zinc/88/02/82/1336880282.db2.gz VMMHPRHUDGJJFE-IEBWSBKVSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCCN(Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747599 1336919753 /nfs/dbraw/zinc/91/97/53/1336919753.db2.gz MGSMFFZUHNZJKB-AEFFLSMTSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009147498 1336976528 /nfs/dbraw/zinc/97/65/28/1336976528.db2.gz WQYLFZSERPZFDT-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014399222 1337766885 /nfs/dbraw/zinc/76/68/85/1337766885.db2.gz BQTXJYHUJWSTGF-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014430077 1337775602 /nfs/dbraw/zinc/77/56/02/1337775602.db2.gz AKCFHRHEULWJQE-IEBWSBKVSA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014636608 1337854987 /nfs/dbraw/zinc/85/49/87/1337854987.db2.gz ZCIBJYAXYCNBLC-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014730922 1337890093 /nfs/dbraw/zinc/89/00/93/1337890093.db2.gz YMQATZJYTSSPRK-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112016 1338022980 /nfs/dbraw/zinc/02/29/80/1338022980.db2.gz AXNKXHWFXRUVTM-LPHOPBHVSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015112923 1338023469 /nfs/dbraw/zinc/02/34/69/1338023469.db2.gz HBPHBEKABPLJLK-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001015596372 1338201292 /nfs/dbraw/zinc/20/12/92/1338201292.db2.gz BOXLDFINCLJJLM-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015895720 1338351466 /nfs/dbraw/zinc/35/14/66/1338351466.db2.gz AFYAEWHFLABYJH-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001015930929 1338363290 /nfs/dbraw/zinc/36/32/90/1338363290.db2.gz WWFBQEHHHZUGPE-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001015971355 1338383585 /nfs/dbraw/zinc/38/35/85/1338383585.db2.gz AFICCRPQVWLRCY-WOJBJXKFSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016660738 1338681909 /nfs/dbraw/zinc/68/19/09/1338681909.db2.gz AWSYKXBKPGKWRO-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2)[NH+]1CCCC1 ZINC001016761948 1338715624 /nfs/dbraw/zinc/71/56/24/1338715624.db2.gz SQJCBCREAFIBOC-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761596 1338715806 /nfs/dbraw/zinc/71/58/06/1338715806.db2.gz OCBCGXXWRNSQPT-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC=C(C)C)CC3)C1 ZINC001016789263 1338728125 /nfs/dbraw/zinc/72/81/25/1338728125.db2.gz IJGYYLUHLCRFPR-RBUKOAKNSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2)[NH+]1CCCCCC1 ZINC001016859406 1338749588 /nfs/dbraw/zinc/74/95/88/1338749588.db2.gz ALTZQCRAPMCSRB-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862282 1338751381 /nfs/dbraw/zinc/75/13/81/1338751381.db2.gz VIXZPRQGEVVCBH-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016922451 1338771002 /nfs/dbraw/zinc/77/10/02/1338771002.db2.gz CVVGZMHLKRYULV-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCC3)C2)C1 ZINC001017190634 1338936936 /nfs/dbraw/zinc/93/69/36/1338936936.db2.gz BZBMDYWUNLWPEJ-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001017208393 1338955179 /nfs/dbraw/zinc/95/51/79/1338955179.db2.gz GDEFGAKFDSVQLJ-UYAOXDASSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001028088791 1340418291 /nfs/dbraw/zinc/41/82/91/1340418291.db2.gz PSLMCCTXQJFKPP-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCC2)CC[N@@H+]1C ZINC001028098148 1340425278 /nfs/dbraw/zinc/42/52/78/1340425278.db2.gz KUAQTABSILUZHE-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181271 1340471823 /nfs/dbraw/zinc/47/18/23/1340471823.db2.gz PZTJSILZHGNVGY-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001029100432 1340929970 /nfs/dbraw/zinc/92/99/70/1340929970.db2.gz JCMMWNSYVGICMZ-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001029132924 1340938863 /nfs/dbraw/zinc/93/88/63/1340938863.db2.gz BXQGASRIBKQTNZ-APWZRJJASA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001029144903 1340942361 /nfs/dbraw/zinc/94/23/61/1340942361.db2.gz OMVLSWUIHDRWMN-PXNSSMCTSA-N 2 0 345.531 3.052 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001029151245 1340943498 /nfs/dbraw/zinc/94/34/98/1340943498.db2.gz ADHZLKKHVRWQNF-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029330238 1340972976 /nfs/dbraw/zinc/97/29/76/1340972976.db2.gz JASGFJQRFRAHMP-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029339431 1340974140 /nfs/dbraw/zinc/97/41/40/1340974140.db2.gz XFDIBOFYGQULAK-QRVBRYPASA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC1 ZINC001029539195 1341008687 /nfs/dbraw/zinc/00/86/87/1341008687.db2.gz IICLPQKDINCKSU-KDURUIRLSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029739476 1341059414 /nfs/dbraw/zinc/05/94/14/1341059414.db2.gz JKTQIWPNBYTYSS-HKUYNNGSSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029751630 1341063748 /nfs/dbraw/zinc/06/37/48/1341063748.db2.gz YQDFMWJYPNAXOT-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001029886677 1341104906 /nfs/dbraw/zinc/10/49/06/1341104906.db2.gz IBUGORARYCENMQ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029976773 1341141399 /nfs/dbraw/zinc/14/13/99/1341141399.db2.gz NVPMHMQSKIEIFY-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001030014883 1341158365 /nfs/dbraw/zinc/15/83/65/1341158365.db2.gz RTEJPWOXVGYWCX-UUKMXZOPSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](CC)c2ccccc2)C1)[NH+](C)C ZINC001030019537 1341159660 /nfs/dbraw/zinc/15/96/60/1341159660.db2.gz VPGNLSGURWGKED-GBESFXJTSA-N 2 0 331.504 3.059 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031729115 1341394097 /nfs/dbraw/zinc/39/40/97/1341394097.db2.gz AVSFHMDLYIBYOD-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031767784 1341399029 /nfs/dbraw/zinc/39/90/29/1341399029.db2.gz YESLEGXKHDMFHV-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(CC)CC ZINC001032726058 1341593160 /nfs/dbraw/zinc/59/31/60/1341593160.db2.gz FHZZTRODPMSLPB-SLFFLAALSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081903 1341718260 /nfs/dbraw/zinc/71/82/60/1341718260.db2.gz NNNROGJQZJQULB-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033144953 1341738685 /nfs/dbraw/zinc/73/86/85/1341738685.db2.gz CWLBYKFJHWQHEB-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033416748 1341821083 /nfs/dbraw/zinc/82/10/83/1341821083.db2.gz RGHXWTVAKFTKFZ-MJGOQNOKSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001033467700 1341837791 /nfs/dbraw/zinc/83/77/91/1341837791.db2.gz QNZGQRJKMFYLAZ-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033474919 1341840742 /nfs/dbraw/zinc/84/07/42/1341840742.db2.gz KYUKWBSDPKZRBI-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033826391 1342027260 /nfs/dbraw/zinc/02/72/60/1342027260.db2.gz PJVFWYZLTLHPAJ-RTBURBONSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001034217190 1342323775 /nfs/dbraw/zinc/32/37/75/1342323775.db2.gz OTKPUPGWWBVLOM-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001034217583 1342323927 /nfs/dbraw/zinc/32/39/27/1342323927.db2.gz TYWRWFQGNDCDNA-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034239066 1342340706 /nfs/dbraw/zinc/34/07/06/1342340706.db2.gz HMRAVIIHVFWAGP-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251448 1342347282 /nfs/dbraw/zinc/34/72/82/1342347282.db2.gz ZHBYHPULFCDAND-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cs1 ZINC001034272885 1342363657 /nfs/dbraw/zinc/36/36/57/1342363657.db2.gz XXUFXCJBWHTANU-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034272566 1342364568 /nfs/dbraw/zinc/36/45/68/1342364568.db2.gz VUKWLIKIGUPZTB-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034361792 1342432990 /nfs/dbraw/zinc/43/29/90/1342432990.db2.gz SCFRMZNCEVGVJH-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CC3=CCCCC3)C2)C1 ZINC001034393313 1342462242 /nfs/dbraw/zinc/46/22/42/1342462242.db2.gz CRYLDTPFWBYLRT-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034436720 1342499041 /nfs/dbraw/zinc/49/90/41/1342499041.db2.gz BIDAUIVKDILVGI-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444515 1342504481 /nfs/dbraw/zinc/50/44/81/1342504481.db2.gz HSNSQQNSKJLMGS-LPHOPBHVSA-N 2 0 349.494 3.081 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001034506848 1342564921 /nfs/dbraw/zinc/56/49/21/1342564921.db2.gz QLQGGMUXYIRIBN-CTNGQTDRSA-N 2 0 347.547 3.023 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542864 1342602001 /nfs/dbraw/zinc/60/20/01/1342602001.db2.gz BPMFSQSMTXQWSY-SJLPKXTDSA-N 2 0 349.494 3.081 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC001034672374 1342683105 /nfs/dbraw/zinc/68/31/05/1342683105.db2.gz LKCXEJXSQQOGQD-FRYIKTPZSA-N 2 0 343.515 3.249 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cs1 ZINC001034674296 1342685316 /nfs/dbraw/zinc/68/53/16/1342685316.db2.gz KWEMPZHIHCTIOH-BZSNNMDCSA-N 2 0 349.544 3.058 20 0 EGADRP CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001034716889 1342711073 /nfs/dbraw/zinc/71/10/73/1342711073.db2.gz FXMOZTJETMEMPD-XQZJPKQNSA-N 2 0 347.503 3.018 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)CC1 ZINC001034735891 1342729323 /nfs/dbraw/zinc/72/93/23/1342729323.db2.gz PJJHDRFAFHQRIH-TZCBXBLLSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034776415 1342754034 /nfs/dbraw/zinc/75/40/34/1342754034.db2.gz SGXWLEHPVMKTCX-UAFMIMERSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034934902 1342843585 /nfs/dbraw/zinc/84/35/85/1342843585.db2.gz YFUKPEKTMGAJNG-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034954467 1342852056 /nfs/dbraw/zinc/85/20/56/1342852056.db2.gz RZZMLOQICSGMKS-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)c1 ZINC001034958095 1342852334 /nfs/dbraw/zinc/85/23/34/1342852334.db2.gz ZVWOOSKTIFJXMK-YLJYHZDGSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1Cl ZINC001035013905 1342876054 /nfs/dbraw/zinc/87/60/54/1342876054.db2.gz NUMGBLJYUPXLIF-HDMKZQKVSA-N 2 0 349.906 3.076 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001035020295 1342880482 /nfs/dbraw/zinc/88/04/82/1342880482.db2.gz UCHBRSXIKBKGHX-SXLOBPIMSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1)[NH+](C)C ZINC001035038979 1342891985 /nfs/dbraw/zinc/89/19/85/1342891985.db2.gz RZERMEZEKDMIOY-ATZDWAIDSA-N 2 0 349.494 3.054 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001035085976 1342919194 /nfs/dbraw/zinc/91/91/94/1342919194.db2.gz OBXBWWPFNIVBCJ-LYBXBRPPSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC=C(C)C)C2)CC1 ZINC001035188813 1343003060 /nfs/dbraw/zinc/00/30/60/1343003060.db2.gz KSCALGOCQPCNGU-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227615 1343048921 /nfs/dbraw/zinc/04/89/21/1343048921.db2.gz SLDFAPFKSAIXCA-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233518 1343055334 /nfs/dbraw/zinc/05/53/34/1343055334.db2.gz GKIZYSNSYRQHFP-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035707838 1343144202 /nfs/dbraw/zinc/14/42/02/1343144202.db2.gz RMIIREXPDSGUFM-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035721635 1343152135 /nfs/dbraw/zinc/15/21/35/1343152135.db2.gz XOCXJQXVZUAVDG-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C[NH+]([C@H](C)c3ccccc3)C2)CC1)[NH+](C)C ZINC001035797539 1343203533 /nfs/dbraw/zinc/20/35/33/1343203533.db2.gz FKQXWMPDXRBZSH-MJGOQNOKSA-N 2 0 343.515 3.012 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035856887 1343233163 /nfs/dbraw/zinc/23/31/63/1343233163.db2.gz DRHYVPNABORUNM-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC(C)C)[C@H](C)C2)o1 ZINC001036314041 1343414618 /nfs/dbraw/zinc/41/46/18/1343414618.db2.gz VSSIWXIJQUIPGA-SJLPKXTDSA-N 2 0 349.519 3.218 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036408678 1343469471 /nfs/dbraw/zinc/46/94/71/1343469471.db2.gz FYTNGPQNSDXECT-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036556531 1343552183 /nfs/dbraw/zinc/55/21/83/1343552183.db2.gz MQBAVNDUCJJGSI-FXAWDEMLSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001037220454 1344051526 /nfs/dbraw/zinc/05/15/26/1344051526.db2.gz IGCFIZASDVZVRI-WMZOPIPTSA-N 2 0 347.503 3.020 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1[NH2+]CC(C)C ZINC001037871226 1344153186 /nfs/dbraw/zinc/15/31/86/1344153186.db2.gz XXEOYEYHHSDHLG-VQIMIIECSA-N 2 0 342.487 3.129 20 0 EGADRP CC[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1[NH2+]C(C)C ZINC001037924544 1344184437 /nfs/dbraw/zinc/18/44/37/1344184437.db2.gz IMRMYVJFJPKQBY-QUCCMNQESA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038238191 1344338246 /nfs/dbraw/zinc/33/82/46/1344338246.db2.gz GELFNAXEQKLXSB-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248782 1344343733 /nfs/dbraw/zinc/34/37/33/1344343733.db2.gz PQCWNGRQGMMIAM-AZUAARDMSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038406159 1344415051 /nfs/dbraw/zinc/41/50/51/1344415051.db2.gz ASWNNJILUAFMNI-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520048 1344464491 /nfs/dbraw/zinc/46/44/91/1344464491.db2.gz MAQZXJHBDQLXLP-VQIMIIECSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1CC1CCCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620891 1344507876 /nfs/dbraw/zinc/50/78/76/1344507876.db2.gz FVGPJZRSHGAQBU-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001038783372 1344582932 /nfs/dbraw/zinc/58/29/32/1344582932.db2.gz WVVQSQOJKWXILI-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001039046654 1344732616 /nfs/dbraw/zinc/73/26/16/1344732616.db2.gz AKLBMDQHWCFCCB-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039166350 1344851527 /nfs/dbraw/zinc/85/15/27/1344851527.db2.gz VIAMDDULMXRPKG-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182897 1344880847 /nfs/dbraw/zinc/88/08/47/1344880847.db2.gz UBYRMJRBOIKMQD-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233339 1344953181 /nfs/dbraw/zinc/95/31/81/1344953181.db2.gz AYUPKKXGGNCOFE-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234375 1344954921 /nfs/dbraw/zinc/95/49/21/1344954921.db2.gz IZXSWCLUVOGIRJ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241747 1344967112 /nfs/dbraw/zinc/96/71/12/1344967112.db2.gz IBEJKDXEFGNFDL-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406484 1345051464 /nfs/dbraw/zinc/05/14/64/1345051464.db2.gz WCIYOWDPGLSQBD-SUMDDJOVSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001039587528 1345146270 /nfs/dbraw/zinc/14/62/70/1345146270.db2.gz XIOJLBVLAILFQA-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001039863615 1345219591 /nfs/dbraw/zinc/21/95/91/1345219591.db2.gz JZFHFUKQSOEVQY-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001039900133 1345240488 /nfs/dbraw/zinc/24/04/88/1345240488.db2.gz MSQHUSDHUDHXJH-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242206 1345393026 /nfs/dbraw/zinc/39/30/26/1345393026.db2.gz XCDPGMRABGYZNN-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040397692 1345475710 /nfs/dbraw/zinc/47/57/10/1345475710.db2.gz CHVQZLYTPKTQEQ-AZUAARDMSA-N 2 0 337.552 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001040728107 1345571244 /nfs/dbraw/zinc/57/12/44/1345571244.db2.gz ZKMVTWBDWKLTDM-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275530 1345691546 /nfs/dbraw/zinc/69/15/46/1345691546.db2.gz DYNWEHCRHJUSHV-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357154 1345708661 /nfs/dbraw/zinc/70/86/61/1345708661.db2.gz FGFCHSZYYKHUMD-CTNGQTDRSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001041379744 1345712524 /nfs/dbraw/zinc/71/25/24/1345712524.db2.gz SVGWAYNJELXWPQ-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C2C[NH+](CC3CCC(C)CC3)C2)CC1 ZINC001044128586 1346255605 /nfs/dbraw/zinc/25/56/05/1346255605.db2.gz VFHWYNINQIIUFC-UHFFFAOYSA-N 2 0 349.563 3.076 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CC2CCCCCC2)C1 ZINC001044182873 1346268154 /nfs/dbraw/zinc/26/81/54/1346268154.db2.gz LJGGEOPOUPWVPP-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001044358571 1346309244 /nfs/dbraw/zinc/30/92/44/1346309244.db2.gz CHZGSDSTIYHFMZ-UHFFFAOYSA-N 2 0 349.519 3.314 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001044731189 1346414868 /nfs/dbraw/zinc/41/48/68/1346414868.db2.gz DXZITMYZXKDTLV-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044879762 1346453428 /nfs/dbraw/zinc/45/34/28/1346453428.db2.gz QPRNLKXLJTVFHW-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045075683 1346490249 /nfs/dbraw/zinc/49/02/49/1346490249.db2.gz FBPQRFUARYHXFY-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045093163 1346493389 /nfs/dbraw/zinc/49/33/89/1346493389.db2.gz PDSONKBGAQOXBS-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045093539 1346494032 /nfs/dbraw/zinc/49/40/32/1346494032.db2.gz YUXRETFUVZBFDX-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001045534334 1346620112 /nfs/dbraw/zinc/62/01/12/1346620112.db2.gz JUKVEKRZRWRNCJ-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045790372 1346699245 /nfs/dbraw/zinc/69/92/45/1346699245.db2.gz HYYUYGKVWHSLJU-QYZOEREBSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001045802550 1346702419 /nfs/dbraw/zinc/70/24/19/1346702419.db2.gz GKIGDKXXEMHMCY-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001045841566 1346716927 /nfs/dbraw/zinc/71/69/27/1346716927.db2.gz BXNYAAFTAYDLLC-FGTMMUONSA-N 2 0 337.552 3.074 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001045847631 1346720234 /nfs/dbraw/zinc/72/02/34/1346720234.db2.gz LMPVDBZZGMHFAG-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958628 1346793366 /nfs/dbraw/zinc/79/33/66/1346793366.db2.gz UWJJGHYLUJRFQF-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045967539 1346801979 /nfs/dbraw/zinc/80/19/79/1346801979.db2.gz WYODUXZBQGENDS-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984759 1346825457 /nfs/dbraw/zinc/82/54/57/1346825457.db2.gz IFUHARCGYVZLPA-PZJWPPBQSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001046316781 1346932539 /nfs/dbraw/zinc/93/25/39/1346932539.db2.gz RDQSKNJFNAACHH-QUCCMNQESA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046739862 1347078177 /nfs/dbraw/zinc/07/81/77/1347078177.db2.gz XHTGLISPQMFXBF-NRFANRHFSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H](C2CC[NH+](CC=C(C)C)CC2)C1)[NH+](C)C ZINC001047245548 1347271168 /nfs/dbraw/zinc/27/11/68/1347271168.db2.gz YSRHIHJMSVIRMD-VQTJNVASSA-N 2 0 349.563 3.243 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001047263048 1347284094 /nfs/dbraw/zinc/28/40/94/1347284094.db2.gz XZCLSDLKXNFLEM-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001047890349 1347400267 /nfs/dbraw/zinc/40/02/67/1347400267.db2.gz ZMEAJZFNCMXQCW-FUHWJXTLSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001048009248 1347439248 /nfs/dbraw/zinc/43/92/48/1347439248.db2.gz SXQZHLPISIPBFL-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048257898 1347504450 /nfs/dbraw/zinc/50/44/50/1347504450.db2.gz ZNXANIVVDYXIBT-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525208 1347577319 /nfs/dbraw/zinc/57/73/19/1347577319.db2.gz OYNBYTHSMLKJBP-LTFPLMDUSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583228 1347605743 /nfs/dbraw/zinc/60/57/43/1347605743.db2.gz GZDLNOOZECDUPS-LTFPLMDUSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001048609448 1347617144 /nfs/dbraw/zinc/61/71/44/1347617144.db2.gz ALMPCAPZOHIOCD-QWFCFKBJSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)CC1 ZINC001048615886 1347619464 /nfs/dbraw/zinc/61/94/64/1347619464.db2.gz NZIPPWUJPBLEGH-WGSAOQKQSA-N 2 0 349.563 3.031 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001048615690 1347619536 /nfs/dbraw/zinc/61/95/36/1347619536.db2.gz LRKZWQWERHVOKT-QWFCFKBJSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001049532718 1347895164 /nfs/dbraw/zinc/89/51/64/1347895164.db2.gz JNMVWVYNHIRHDV-UFYCRDLUSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049551846 1347904830 /nfs/dbraw/zinc/90/48/30/1347904830.db2.gz JGFQTXNZTMZMFH-XUVXKRRUSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049656098 1347958019 /nfs/dbraw/zinc/95/80/19/1347958019.db2.gz VKBXWNUTGJXCQM-ZCNNSNEGSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768090 1348011289 /nfs/dbraw/zinc/01/12/89/1348011289.db2.gz SKUKAKGKAHRMOY-ZCNNSNEGSA-N 2 0 347.547 3.281 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915602 1348110063 /nfs/dbraw/zinc/11/00/63/1348110063.db2.gz XFSVBAVLIAATLH-VAMGGRTRSA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049918892 1348112102 /nfs/dbraw/zinc/11/21/02/1348112102.db2.gz NHXJRPLYDLVICG-CEXWTWQISA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@H](C)[NH2+]C(C)C)cc2)CC[N@@H+]1C ZINC001050263044 1348222266 /nfs/dbraw/zinc/22/22/66/1348222266.db2.gz HJTSLDOZTGBYFW-ZYSHUDEJSA-N 2 0 331.504 3.092 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001050333557 1348229922 /nfs/dbraw/zinc/22/99/22/1348229922.db2.gz YKIRBSIIBGZNMB-LNLFQRSKSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001050336256 1348230402 /nfs/dbraw/zinc/23/04/02/1348230402.db2.gz KJLFNBILADHLSM-WDSOQIARSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001050336254 1348230425 /nfs/dbraw/zinc/23/04/25/1348230425.db2.gz KJLFNBILADHLSM-BHIYHBOVSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001050368096 1348240515 /nfs/dbraw/zinc/24/05/15/1348240515.db2.gz RTCZIMZOWZPIBP-IHPCNDPISA-N 2 0 347.547 3.093 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050385970 1348246525 /nfs/dbraw/zinc/24/65/25/1348246525.db2.gz DAVPPIBBYRTTPO-UAFMIMERSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001050728182 1348339520 /nfs/dbraw/zinc/33/95/20/1348339520.db2.gz NGLRGKXOPBUPLG-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050764423 1348351631 /nfs/dbraw/zinc/35/16/31/1348351631.db2.gz CGRLTQUTZZJCCB-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764323 1348351777 /nfs/dbraw/zinc/35/17/77/1348351777.db2.gz BJXMZHWRSSUFRC-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050765228 1348351938 /nfs/dbraw/zinc/35/19/38/1348351938.db2.gz MGOIBVCNPRGYOU-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050764749 1348352078 /nfs/dbraw/zinc/35/20/78/1348352078.db2.gz GOSYZKQXECKASN-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001051356341 1348442296 /nfs/dbraw/zinc/44/22/96/1348442296.db2.gz BIBCSGUTCUITKQ-IPELMVKDSA-N 2 0 349.494 3.198 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C)[NH+](C)C ZINC001051356871 1348442566 /nfs/dbraw/zinc/44/25/66/1348442566.db2.gz WYOVULLGKLHJJW-GGPKGHCWSA-N 2 0 345.531 3.367 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001052395207 1348539806 /nfs/dbraw/zinc/53/98/06/1348539806.db2.gz NBWJNLBSEAHLQD-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CC2)CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001052447376 1348543989 /nfs/dbraw/zinc/54/39/89/1348543989.db2.gz CUEKYQKOUXTPLM-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651683 1348614494 /nfs/dbraw/zinc/61/44/94/1348614494.db2.gz LQNBPNMQKNVPIB-MJGOQNOKSA-N 2 0 335.536 3.163 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001052658378 1348617237 /nfs/dbraw/zinc/61/72/37/1348617237.db2.gz LURKIPKLNDNNQS-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052662547 1348617889 /nfs/dbraw/zinc/61/78/89/1348617889.db2.gz IRRYYWSMUYOTCY-SFHVURJKSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052713542 1348645934 /nfs/dbraw/zinc/64/59/34/1348645934.db2.gz ZQJJYDKWYNCXCQ-ICSRJNTNSA-N 2 0 347.547 3.189 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC001052716706 1348646364 /nfs/dbraw/zinc/64/63/64/1348646364.db2.gz OXCMNBPWEFNFMP-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)CC2)cc1 ZINC001052787654 1348679548 /nfs/dbraw/zinc/67/95/48/1348679548.db2.gz LIOVHZUIOTVLLM-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC(C)C)CC1 ZINC001052858307 1348704315 /nfs/dbraw/zinc/70/43/15/1348704315.db2.gz BSTQTLCYISVKQG-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC)CC1 ZINC001052860426 1348705762 /nfs/dbraw/zinc/70/57/62/1348705762.db2.gz TZUMSYAZCVVVKI-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052867332 1348710688 /nfs/dbraw/zinc/71/06/88/1348710688.db2.gz LIQLWYPJXMRQLC-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052867337 1348710874 /nfs/dbraw/zinc/71/08/74/1348710874.db2.gz LIQLWYPJXMRQLC-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001052938444 1348756618 /nfs/dbraw/zinc/75/66/18/1348756618.db2.gz XWQXYWSFMHXVJX-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052955064 1348768266 /nfs/dbraw/zinc/76/82/66/1348768266.db2.gz YGWZEUXWPHVHFB-PXNSSMCTSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047753 1348849757 /nfs/dbraw/zinc/84/97/57/1348849757.db2.gz RTTQHSLKYLPDCH-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105074 1348940899 /nfs/dbraw/zinc/94/08/99/1348940899.db2.gz LGICKFMARJMIEQ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001054154047 1349157171 /nfs/dbraw/zinc/15/71/71/1349157171.db2.gz PRQXWDAAUUTLRI-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054153477 1349157412 /nfs/dbraw/zinc/15/74/12/1349157412.db2.gz RMZHKRCBEUTBNA-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001054226481 1349221110 /nfs/dbraw/zinc/22/11/10/1349221110.db2.gz QUXLZVTVANCLQF-TZIWHRDSSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3C)cc2C1 ZINC001054270841 1349270488 /nfs/dbraw/zinc/27/04/88/1349270488.db2.gz BZHSKJAAFFSVSP-UHFFFAOYSA-N 2 0 348.450 3.298 20 0 EGADRP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC001054274448 1349274969 /nfs/dbraw/zinc/27/49/69/1349274969.db2.gz FRZIQSMZIXXTKX-UHFFFAOYSA-N 2 0 348.450 3.236 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001054296276 1349301599 /nfs/dbraw/zinc/30/15/99/1349301599.db2.gz IDPKLACKJBVZIV-NSHGMRRFSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001054648132 1349428182 /nfs/dbraw/zinc/42/81/82/1349428182.db2.gz HYBABXIGUXIFTG-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001054650891 1349429464 /nfs/dbraw/zinc/42/94/64/1349429464.db2.gz UMDWBPAJNMNQKQ-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054740572 1349451281 /nfs/dbraw/zinc/45/12/81/1349451281.db2.gz WHIQAJNDNAAFQW-QFBILLFUSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054740574 1349451483 /nfs/dbraw/zinc/45/14/83/1349451483.db2.gz WHIQAJNDNAAFQW-VQIMIIECSA-N 2 0 349.563 3.124 20 0 EGADRP FC1(C[N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC001235883183 1376909212 /nfs/dbraw/zinc/90/92/12/1376909212.db2.gz ZHJOOSBCMVRPIN-AWEZNQCLSA-N 2 0 341.268 3.330 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554428 1357676996 /nfs/dbraw/zinc/67/69/96/1357676996.db2.gz OVNUVQXBENIKAT-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001071508465 1354734035 /nfs/dbraw/zinc/73/40/35/1354734035.db2.gz OKPXWQYIXQKENE-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071646445 1354823611 /nfs/dbraw/zinc/82/36/11/1354823611.db2.gz YLKVCPILPVMLOH-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCC1CCCC1 ZINC001071645214 1354824312 /nfs/dbraw/zinc/82/43/12/1354824312.db2.gz HSSLECAZZDOZIR-PKOBYXMFSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001071819242 1354960022 /nfs/dbraw/zinc/96/00/22/1354960022.db2.gz STWMTKMHVOKKMD-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCC2(CC2)CC1 ZINC001072081454 1355119041 /nfs/dbraw/zinc/11/90/41/1355119041.db2.gz MAHONLKMUMLRIY-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCC1CCCCC1 ZINC001072081869 1355119342 /nfs/dbraw/zinc/11/93/42/1355119342.db2.gz UDOVMHJPHLWFLD-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462193 1355795686 /nfs/dbraw/zinc/79/56/86/1355795686.db2.gz OAEZGFHWIHALGB-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC001074014678 1356036344 /nfs/dbraw/zinc/03/63/44/1356036344.db2.gz HUFNFTZBGUVPNA-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074693450 1356224165 /nfs/dbraw/zinc/22/41/65/1356224165.db2.gz ASZSPZVCXONMCS-WDSOQIARSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001074686013 1356224235 /nfs/dbraw/zinc/22/42/35/1356224235.db2.gz HCFNUAGJWHLXTQ-SXLOBPIMSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001074993530 1356282797 /nfs/dbraw/zinc/28/27/97/1356282797.db2.gz IEUWJGJUNWNRIA-YSNUMNBNSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C)c1ccccc1 ZINC001075128579 1356320898 /nfs/dbraw/zinc/32/08/98/1356320898.db2.gz GUXYOZLMFWXTPF-HBFSDRIKSA-N 2 0 343.515 3.203 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461633 1356395355 /nfs/dbraw/zinc/39/53/55/1356395355.db2.gz NGOYVTSBUHERGA-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCC(C)(C)C)C[C@H]32)C1 ZINC001076161940 1356510497 /nfs/dbraw/zinc/51/04/97/1356510497.db2.gz WLOHGVAMKSUXPM-IPMKNSEASA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183254733 1387285907 /nfs/dbraw/zinc/28/59/07/1387285907.db2.gz DSLUVULHZDYGLX-LXORQPIJSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2)[NH+]1CCCCC1 ZINC001078626692 1357040012 /nfs/dbraw/zinc/04/00/12/1357040012.db2.gz UCRHLCRHCZWGLH-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001323142413 1387300175 /nfs/dbraw/zinc/30/01/75/1387300175.db2.gz IZTXJKJFUPJWIA-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001082782815 1358092396 /nfs/dbraw/zinc/09/23/96/1358092396.db2.gz QZQAMXFQEQZOKF-WSTZPKSXSA-N 2 0 347.547 3.188 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476437 1358222771 /nfs/dbraw/zinc/22/27/71/1358222771.db2.gz YFCARTVXQDXGQM-VAMGGRTRSA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958370 1358354598 /nfs/dbraw/zinc/35/45/98/1358354598.db2.gz WSZGSONILMCEQO-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)C1 ZINC001085332620 1358470382 /nfs/dbraw/zinc/47/03/82/1358470382.db2.gz GAFBPOJACUFVEO-MISYRCLQSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001085389559 1358486065 /nfs/dbraw/zinc/48/60/65/1358486065.db2.gz MYNFYNYAIQTAPA-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001085395390 1358488218 /nfs/dbraw/zinc/48/82/18/1358488218.db2.gz JTGCSTYYUGDENR-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085628850 1358646520 /nfs/dbraw/zinc/64/65/20/1358646520.db2.gz GOLYLETVUBQGJY-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085638842 1358652271 /nfs/dbraw/zinc/65/22/71/1358652271.db2.gz BSKBECCNEAZCHF-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699004 1358693462 /nfs/dbraw/zinc/69/34/62/1358693462.db2.gz CWEXYUCIVRAINE-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC(C)C)o1 ZINC001085994619 1358949726 /nfs/dbraw/zinc/94/97/26/1358949726.db2.gz PVHROLLUHJVBLC-QGZVFWFLSA-N 2 0 349.519 3.314 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001323440368 1387369751 /nfs/dbraw/zinc/36/97/51/1387369751.db2.gz AOAXFEFNOIPVBT-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001086138605 1359005996 /nfs/dbraw/zinc/00/59/96/1359005996.db2.gz RLIXBQRVIGWZAS-MAEOIBBWSA-N 2 0 340.471 3.013 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086278641 1359051708 /nfs/dbraw/zinc/05/17/08/1359051708.db2.gz GUSCUJYSEOQHTB-RAUXBKROSA-N 2 0 343.515 3.106 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086278511 1359051970 /nfs/dbraw/zinc/05/19/70/1359051970.db2.gz ZETLGXRALUUQSF-HSALFYBXSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001086370958 1359079636 /nfs/dbraw/zinc/07/96/36/1359079636.db2.gz INJJAQHADOGEEV-LWYYNNOASA-N 2 0 347.547 3.092 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086402132 1359087884 /nfs/dbraw/zinc/08/78/84/1359087884.db2.gz IZIFATPUVXVUOD-JPLJXNOCSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001087212459 1359322767 /nfs/dbraw/zinc/32/27/67/1359322767.db2.gz CIPVSVMCQWCCIJ-GGPKGHCWSA-N 2 0 347.547 3.045 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306514 1359392757 /nfs/dbraw/zinc/39/27/57/1359392757.db2.gz JWRUFRSMBOCTBQ-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001087522871 1359509516 /nfs/dbraw/zinc/50/95/16/1359509516.db2.gz ALRLDSHGJRZPMX-OTWHNJEPSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569770 1359535950 /nfs/dbraw/zinc/53/59/50/1359535950.db2.gz MHZSRHLTWYHMOL-OTWHNJEPSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@@H+]1CC=C(C)C ZINC001087634441 1359565027 /nfs/dbraw/zinc/56/50/27/1359565027.db2.gz FMWDAAUTDWEWGN-RBUKOAKNSA-N 2 0 340.471 3.192 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@@H+]1CCC(C)C ZINC001087634656 1359565617 /nfs/dbraw/zinc/56/56/17/1359565617.db2.gz MLSHMIZNIQZMIH-RBUKOAKNSA-N 2 0 342.487 3.272 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC[N@@H+]1CCC(C)C ZINC001087636423 1359565819 /nfs/dbraw/zinc/56/58/19/1359565819.db2.gz PPJIOZMEGHBRTP-OTWHNJEPSA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CC1CCCC1 ZINC001087641826 1359567352 /nfs/dbraw/zinc/56/73/52/1359567352.db2.gz FJFIVDHGZHADPT-RBUKOAKNSA-N 2 0 340.471 3.107 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1Cc1csc(C)c1 ZINC001087726017 1359614486 /nfs/dbraw/zinc/61/44/86/1359614486.db2.gz OATOPVNEVCYPJV-JCGIZDLHSA-N 2 0 349.544 3.010 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C/C=C/Cl ZINC001087762871 1359632973 /nfs/dbraw/zinc/63/29/73/1359632973.db2.gz RNEHAMWNWMCAEI-XMTSCWHASA-N 2 0 349.906 3.083 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCCCCC1 ZINC001087796489 1359650596 /nfs/dbraw/zinc/65/05/96/1359650596.db2.gz BXMMQZMLURHTBN-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC001323657147 1387417158 /nfs/dbraw/zinc/41/71/58/1387417158.db2.gz WMWNCKXNTJMLHP-DAYGRLMNSA-N 2 0 340.471 3.120 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088327571 1359831237 /nfs/dbraw/zinc/83/12/37/1359831237.db2.gz QHROJFNSBIVYPJ-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(C)C)C2)C1 ZINC001088367435 1359851477 /nfs/dbraw/zinc/85/14/77/1359851477.db2.gz JXNMUOSVUAGOLR-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088381604 1359865052 /nfs/dbraw/zinc/86/50/52/1359865052.db2.gz IUAHFFCIYFSNOT-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088382622 1359865302 /nfs/dbraw/zinc/86/53/02/1359865302.db2.gz GZRVBMJUOXASGB-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088394608 1359870702 /nfs/dbraw/zinc/87/07/02/1359870702.db2.gz KMBHNQMBDPBNLC-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1 ZINC001088411907 1359883331 /nfs/dbraw/zinc/88/33/31/1359883331.db2.gz SVCRQAUYFDZFEV-MOPGFXCFSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413055 1359884187 /nfs/dbraw/zinc/88/41/87/1359884187.db2.gz XAQWOXWEQPYAMP-CTNGQTDRSA-N 2 0 345.531 3.233 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001088431438 1359898996 /nfs/dbraw/zinc/89/89/96/1359898996.db2.gz VQYDHZJTNRHKHL-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2C)ccc2c[nH+]cn21 ZINC001088688508 1360014022 /nfs/dbraw/zinc/01/40/22/1360014022.db2.gz ONKFXGHBQJKIDG-QAPCUYQASA-N 2 0 342.487 3.272 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)[C@@H]1C ZINC001088972208 1360120652 /nfs/dbraw/zinc/12/06/52/1360120652.db2.gz VQEMQHSPFDQSOV-QYZOEREBSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089381816 1360384143 /nfs/dbraw/zinc/38/41/43/1360384143.db2.gz OQYFEPHJKQUMIW-MOPGFXCFSA-N 2 0 349.563 3.432 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386966 1360387601 /nfs/dbraw/zinc/38/76/01/1360387601.db2.gz WAZKIHFIIGYXFO-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398797 1360398732 /nfs/dbraw/zinc/39/87/32/1360398732.db2.gz NUBFTRGTMFXXQB-OAHLLOKOSA-N 2 0 337.533 3.050 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089400650 1360400217 /nfs/dbraw/zinc/40/02/17/1360400217.db2.gz KEJYBYGNARXOQK-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401302 1360400558 /nfs/dbraw/zinc/40/05/58/1360400558.db2.gz RRRZCXRCYIQZLW-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089458568 1360444739 /nfs/dbraw/zinc/44/47/39/1360444739.db2.gz MEGITGLFJJIHJY-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089492350 1360470233 /nfs/dbraw/zinc/47/02/33/1360470233.db2.gz HHWQINPZUYQSHV-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC1(C)C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2=CCCCC2)C1 ZINC001089562558 1360509968 /nfs/dbraw/zinc/50/99/68/1360509968.db2.gz HTEDUPJHSJTVCR-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089564795 1360511636 /nfs/dbraw/zinc/51/16/36/1360511636.db2.gz JJWQDJAFDZTYHP-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCCC1 ZINC001089615747 1360536210 /nfs/dbraw/zinc/53/62/10/1360536210.db2.gz BERDADAZIVNNJM-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCC2)CC[N@@H+]1C ZINC001089642203 1360555483 /nfs/dbraw/zinc/55/54/83/1360555483.db2.gz DZMOJEZXWNCPNT-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)CC1 ZINC001089690121 1360595848 /nfs/dbraw/zinc/59/58/48/1360595848.db2.gz LDYYRIMRQDBDSO-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001184577039 1387496717 /nfs/dbraw/zinc/49/67/17/1387496717.db2.gz KGOBQRIZYXYXLS-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C2)cs1 ZINC001184628784 1387501450 /nfs/dbraw/zinc/50/14/50/1387501450.db2.gz QMLMPXVQFOLTJC-QGZVFWFLSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC001323991984 1387505321 /nfs/dbraw/zinc/50/53/21/1387505321.db2.gz URARPPTWJTXGMX-PWIZWCRZSA-N 2 0 333.520 3.150 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676928 1361439789 /nfs/dbraw/zinc/43/97/89/1361439789.db2.gz PZBIXXFQVHTBRD-QWFCFKBJSA-N 2 0 347.547 3.044 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001184710986 1387516037 /nfs/dbraw/zinc/51/60/37/1387516037.db2.gz AUBXVNZYIQNRGV-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001093835859 1361704124 /nfs/dbraw/zinc/70/41/24/1361704124.db2.gz MNTMDRZCBJCPAD-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001324080659 1387532758 /nfs/dbraw/zinc/53/27/58/1387532758.db2.gz JRXMJJDVPMGCIC-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094414124 1361791083 /nfs/dbraw/zinc/79/10/83/1361791083.db2.gz UJVYYUZXHSKFCC-QKNQBKEWSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094429996 1361798883 /nfs/dbraw/zinc/79/88/83/1361798883.db2.gz CTXABMMIJVNOIQ-SFHLNBCPSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095404938 1362129907 /nfs/dbraw/zinc/12/99/07/1362129907.db2.gz GZUDJNWTSRMRHL-XWSJACJDSA-N 2 0 335.536 3.017 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095498732 1362157344 /nfs/dbraw/zinc/15/73/44/1362157344.db2.gz CCNWSQGLJBHBJO-VSZNYVQBSA-N 2 0 335.536 3.019 20 0 EGADRP Cc1sccc1C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001324214251 1387559815 /nfs/dbraw/zinc/55/98/15/1387559815.db2.gz SESXIFRWTFGUHF-UHFFFAOYSA-N 2 0 329.513 3.094 20 0 EGADRP CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891401 1387556032 /nfs/dbraw/zinc/55/60/32/1387556032.db2.gz FVUBPQXADHGKFN-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001096348190 1362469607 /nfs/dbraw/zinc/46/96/07/1362469607.db2.gz FDWRDGFSKBUDJQ-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001096611123 1362595576 /nfs/dbraw/zinc/59/55/76/1362595576.db2.gz JBSLFWBFDDJSAV-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001324328993 1387593350 /nfs/dbraw/zinc/59/33/50/1387593350.db2.gz KORZDLKVYCFHPX-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079307 1362835605 /nfs/dbraw/zinc/83/56/05/1362835605.db2.gz ILKZKQVROFWDCS-NBYUQASBSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097550934 1363054647 /nfs/dbraw/zinc/05/46/47/1363054647.db2.gz PHOTVYVWCGSUFT-NXHRZFHOSA-N 2 0 340.471 3.106 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097848980 1363141475 /nfs/dbraw/zinc/14/14/75/1363141475.db2.gz YKMZWAVUZRAOLA-NBYUQASBSA-N 2 0 345.531 3.083 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098037254 1363203713 /nfs/dbraw/zinc/20/37/13/1363203713.db2.gz CTTPCONQERVHCN-AQNXPRMDSA-N 2 0 341.499 3.050 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001098219440 1363258634 /nfs/dbraw/zinc/25/86/34/1363258634.db2.gz FDWRDGFSKBUDJQ-WTGUMLROSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001098219468 1363258792 /nfs/dbraw/zinc/25/87/92/1363258792.db2.gz GGFFGCIRKJVXBV-WTGUMLROSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875066 1363501538 /nfs/dbraw/zinc/50/15/38/1363501538.db2.gz MEERVTWMGIHXHP-ZVDOUQERSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC1)C2 ZINC001098875162 1363501782 /nfs/dbraw/zinc/50/17/82/1363501782.db2.gz NECVMXBHDKJAJO-ZVDOUQERSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099031511 1363585103 /nfs/dbraw/zinc/58/51/03/1363585103.db2.gz WTEXHFPXBRMEPE-UWJYYQICSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001099166329 1363666389 /nfs/dbraw/zinc/66/63/89/1363666389.db2.gz UQERWUACNAOBOP-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)CC1 ZINC001099194191 1363685641 /nfs/dbraw/zinc/68/56/41/1363685641.db2.gz LKSGDZJTHMJLCE-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099198431 1363688062 /nfs/dbraw/zinc/68/80/62/1363688062.db2.gz AQPANSUHLFZNMX-ZEVQVBBLSA-N 2 0 337.552 3.291 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099202703 1363690064 /nfs/dbraw/zinc/69/00/64/1363690064.db2.gz DYHNMUFFACUBJW-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cccc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001099202640 1363690241 /nfs/dbraw/zinc/69/02/41/1363690241.db2.gz CQGZRTBFJNNTIP-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001099269578 1363724435 /nfs/dbraw/zinc/72/44/35/1363724435.db2.gz AURXWPUEFQUUMQ-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001100405749 1364104117 /nfs/dbraw/zinc/10/41/17/1364104117.db2.gz LGZIRLUTTLUOKL-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599446 1364183525 /nfs/dbraw/zinc/18/35/25/1364183525.db2.gz WQWFTQUAUSFKET-VGYMBNPZSA-N 2 0 349.563 3.339 20 0 EGADRP CC(C)=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100601912 1364184633 /nfs/dbraw/zinc/18/46/33/1364184633.db2.gz KCHCJPRNEZDQCW-QLOJAFMTSA-N 2 0 347.547 3.234 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729402 1364238156 /nfs/dbraw/zinc/23/81/56/1364238156.db2.gz FCBFQSWVQCGDBO-CTWPCTMYSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185293262 1387671856 /nfs/dbraw/zinc/67/18/56/1387671856.db2.gz BGGJNYGCIASYTQ-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100904802 1364324421 /nfs/dbraw/zinc/32/44/21/1364324421.db2.gz HUNKTOJSWQCSLJ-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100997231 1364362810 /nfs/dbraw/zinc/36/28/10/1364362810.db2.gz WSAIQMKNOUZERN-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001101287392 1364499835 /nfs/dbraw/zinc/49/98/35/1364499835.db2.gz JYPPOQLYDCGJGR-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1)C(C)C ZINC001101397013 1364544828 /nfs/dbraw/zinc/54/48/28/1364544828.db2.gz VTYMDLWBJDZFIP-DYXWJJEUSA-N 2 0 349.563 3.099 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001101582298 1364634745 /nfs/dbraw/zinc/63/47/45/1364634745.db2.gz JGYAABZLKFLUKO-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001101594653 1364645627 /nfs/dbraw/zinc/64/56/27/1364645627.db2.gz JDMKWCFKRGCTNC-MJRGOJFPSA-N 2 0 349.563 3.149 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101597529 1364648198 /nfs/dbraw/zinc/64/81/98/1364648198.db2.gz OXAAPBRAYQTBTM-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021146 1364813818 /nfs/dbraw/zinc/81/38/18/1364813818.db2.gz IXFFZXNYHVOQDK-QSMUSEHHSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC001185401600 1387705682 /nfs/dbraw/zinc/70/56/82/1387705682.db2.gz ULGIOQNXLSJETE-OXQOHEQNSA-N 2 0 339.483 3.043 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102217291 1364938977 /nfs/dbraw/zinc/93/89/77/1364938977.db2.gz XCADTQZPQTURGS-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473960 1365075129 /nfs/dbraw/zinc/07/51/29/1365075129.db2.gz YIOTZQMPUDOZIW-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600071 1365131905 /nfs/dbraw/zinc/13/19/05/1365131905.db2.gz KPEHHRRFLSUEQP-QSMUSEHHSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977038 1365324875 /nfs/dbraw/zinc/32/48/75/1365324875.db2.gz JXGZYNJVPOCBIV-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085331 1365372901 /nfs/dbraw/zinc/37/29/01/1365372901.db2.gz QDYIWRQNQLNPQI-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103668 1365382020 /nfs/dbraw/zinc/38/20/20/1365382020.db2.gz RVZSLKHKAJFAJF-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103433238 1365557285 /nfs/dbraw/zinc/55/72/85/1365557285.db2.gz AJRQEYRVCJYOJV-IVCWSTDESA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001185609103 1387760188 /nfs/dbraw/zinc/76/01/88/1387760188.db2.gz DBZREUFUMTVCOZ-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](COc1ccccc1F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001324746718 1387759536 /nfs/dbraw/zinc/75/95/36/1387759536.db2.gz IPXATEGGTOQXIQ-HNNXBMFYSA-N 2 0 329.419 3.247 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773679 1365777676 /nfs/dbraw/zinc/77/76/76/1365777676.db2.gz LBKLWFHOYGRIQZ-WOJBJXKFSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104310750 1365979282 /nfs/dbraw/zinc/97/92/82/1365979282.db2.gz GSSSEISCRVFUKQ-BNLAEDIXSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104310753 1365979608 /nfs/dbraw/zinc/97/96/08/1365979608.db2.gz GSSSEISCRVFUKQ-SHOKJUJBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104678845 1366128235 /nfs/dbraw/zinc/12/82/35/1366128235.db2.gz DVLVESFCRGAOQQ-PFRNKHFKSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185751035 1387789724 /nfs/dbraw/zinc/78/97/24/1387789724.db2.gz NPQCWXIDKQEILU-QUCCMNQESA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001104809347 1366183728 /nfs/dbraw/zinc/18/37/28/1366183728.db2.gz FUJRXQUSOGVZDG-IPMKNSEASA-N 2 0 339.568 3.085 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536966 1366516899 /nfs/dbraw/zinc/51/68/99/1366516899.db2.gz LKJGLIHWKVVVBQ-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544869 1366521533 /nfs/dbraw/zinc/52/15/33/1366521533.db2.gz WUKYBCNARKBOEI-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561122 1366531227 /nfs/dbraw/zinc/53/12/27/1366531227.db2.gz HWJWRDMZJURHLH-ZMBJWTFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC=C(C)C)CCC1)[NH+](C)C ZINC001105566494 1366534690 /nfs/dbraw/zinc/53/46/90/1366534690.db2.gz ODSPOZGYBNFBAP-RBUKOAKNSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105568263 1366536404 /nfs/dbraw/zinc/53/64/04/1366536404.db2.gz KDNXLDMQCBINJC-IBGZPJMESA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C)c1ccccc1 ZINC001106839364 1366813441 /nfs/dbraw/zinc/81/34/41/1366813441.db2.gz DPEZCABMZDLOQZ-MISYRCLQSA-N 2 0 345.531 3.164 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439414 1366963658 /nfs/dbraw/zinc/96/36/58/1366963658.db2.gz ZZNQORQYQMJVJQ-NDMWVHFTSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614021 1367073154 /nfs/dbraw/zinc/07/31/54/1367073154.db2.gz LKRNLHVBVGQZJO-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001107645291 1367090618 /nfs/dbraw/zinc/09/06/18/1367090618.db2.gz VQVOIRIRAVEENR-TZIWHRDSSA-N 2 0 347.547 3.023 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)C1CC1 ZINC001109406034 1367107341 /nfs/dbraw/zinc/10/73/41/1367107341.db2.gz LMETVXWEDQBEQY-FUMNGEBKSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3CCCCCC3)C[C@H]21 ZINC001189913722 1367130560 /nfs/dbraw/zinc/13/05/60/1367130560.db2.gz XQOQOCILHRLACV-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471906 1367144053 /nfs/dbraw/zinc/14/40/53/1367144053.db2.gz OEWRGJOXTOCCSD-YSHGAJCASA-N 2 0 349.563 3.407 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190084470 1367168424 /nfs/dbraw/zinc/16/84/24/1367168424.db2.gz NWDBJGXQSKTQRS-MSOLQXFVSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555495 1367195108 /nfs/dbraw/zinc/19/51/08/1367195108.db2.gz SXNOHFBOCORTNK-FYQPLNBISA-N 2 0 347.547 3.019 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635660 1367254981 /nfs/dbraw/zinc/25/49/81/1367254981.db2.gz MOWMTTMRYRJFPV-RDGPPVDQSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190485365 1367274092 /nfs/dbraw/zinc/27/40/92/1367274092.db2.gz ZPOBMNVUJDWKEC-YMHTTXFNSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001109688625 1367283128 /nfs/dbraw/zinc/28/31/28/1367283128.db2.gz YSKWUNXKFUVIFP-VSZNYVQBSA-N 2 0 337.552 3.120 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744600 1367340339 /nfs/dbraw/zinc/34/03/39/1367340339.db2.gz SJXLOBIFDLATDE-PWBPZBFBSA-N 2 0 335.536 3.140 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001109858131 1367363104 /nfs/dbraw/zinc/36/31/04/1367363104.db2.gz VYYPBQIGUIDORD-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918574 1367403549 /nfs/dbraw/zinc/40/35/49/1367403549.db2.gz PEHABZPWLMHZEP-AABGKKOBSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061541 1367413587 /nfs/dbraw/zinc/41/35/87/1367413587.db2.gz LRQVCKHNDCJLNN-WMZOPIPTSA-N 2 0 337.552 3.218 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001110014879 1367458334 /nfs/dbraw/zinc/45/83/34/1367458334.db2.gz MWNLPEJMDSSTRD-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543806 1367525436 /nfs/dbraw/zinc/52/54/36/1367525436.db2.gz SVPBYDXLJHNFGM-RURPWVQCSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148085 1367526014 /nfs/dbraw/zinc/52/60/14/1367526014.db2.gz IHMJQZWTVZMIHM-ZRNYENFQSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001110158666 1367530308 /nfs/dbraw/zinc/53/03/08/1367530308.db2.gz SHMWKZPXNWESBB-FUMNGEBKSA-N 2 0 347.547 3.019 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794092 1367600223 /nfs/dbraw/zinc/60/02/23/1367600223.db2.gz NZCHEKZRFXXQTO-BKFNIVOESA-N 2 0 335.536 3.044 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192325622 1367752747 /nfs/dbraw/zinc/75/27/47/1367752747.db2.gz MGRCHCHWTLMSTQ-ROUUACIJSA-N 2 0 325.541 3.076 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001192325085 1367752917 /nfs/dbraw/zinc/75/29/17/1367752917.db2.gz JSCKPKMPNYARPU-IRXDYDNUSA-N 2 0 325.541 3.076 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280754 1367988985 /nfs/dbraw/zinc/98/89/85/1367988985.db2.gz XPGBQKLAODASJX-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280758 1367989302 /nfs/dbraw/zinc/98/93/02/1367989302.db2.gz XPGBQKLAODASJX-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857849 1368038334 /nfs/dbraw/zinc/03/83/34/1368038334.db2.gz SWGKTUCBJZNCTC-AQNXPRMDSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857749 1368038437 /nfs/dbraw/zinc/03/84/37/1368038437.db2.gz PILRIRWPJDIEPN-NBYUQASBSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558964 1368061351 /nfs/dbraw/zinc/06/13/51/1368061351.db2.gz FVWLLIXCRXLSJD-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099664 1368158859 /nfs/dbraw/zinc/15/88/59/1368158859.db2.gz QWWKQWKTXBENIS-NBYUQASBSA-N 2 0 349.563 3.122 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217350 1368195866 /nfs/dbraw/zinc/19/58/66/1368195866.db2.gz SYNHFVSRVNKDAD-QFTWQFLFSA-N 2 0 347.547 3.185 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1cccc(C)c1 ZINC001111235064 1368210646 /nfs/dbraw/zinc/21/06/46/1368210646.db2.gz XKKSAZYENAGHQP-AFYVEPGGSA-N 2 0 343.515 3.119 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001194266251 1368219889 /nfs/dbraw/zinc/21/98/89/1368219889.db2.gz MWZCEZCFGRTBSB-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001111312577 1368262302 /nfs/dbraw/zinc/26/23/02/1368262302.db2.gz NYLPFNUJGNYRLL-NBYUQASBSA-N 2 0 343.515 3.119 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457848 1368310402 /nfs/dbraw/zinc/31/04/02/1368310402.db2.gz QVFRZYYGIBHETA-QRVBRYPASA-N 2 0 335.536 3.164 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001111457721 1368310597 /nfs/dbraw/zinc/31/05/97/1368310597.db2.gz LTRTWECJWRILLF-AQNXPRMDSA-N 2 0 347.547 3.164 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467632 1368311159 /nfs/dbraw/zinc/31/11/59/1368311159.db2.gz QPZJFZCOPGRVHM-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)C1 ZINC001325321007 1387932895 /nfs/dbraw/zinc/93/28/95/1387932895.db2.gz SAFFURPFICVAFD-FPOVZHCZSA-N 2 0 343.515 3.005 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001186412593 1387937462 /nfs/dbraw/zinc/93/74/62/1387937462.db2.gz QFINYUHKSJQMLE-LJQANCHMSA-N 2 0 335.536 3.189 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740779 1368437632 /nfs/dbraw/zinc/43/76/32/1368437632.db2.gz NNCQICLFPSTHQE-XIHJCQGWSA-N 2 0 347.547 3.186 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)C(C)C ZINC001186427361 1387940753 /nfs/dbraw/zinc/94/07/53/1387940753.db2.gz FJFXEPTXKOCZLZ-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1)C(C)C ZINC001186428592 1387941190 /nfs/dbraw/zinc/94/11/90/1387941190.db2.gz RXZAREDXZHJBGK-WOJBJXKFSA-N 2 0 345.531 3.052 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870612 1368518037 /nfs/dbraw/zinc/51/80/37/1368518037.db2.gz GQTLNDAALUIPSR-WHGMVNQHSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201321 1368567188 /nfs/dbraw/zinc/56/71/88/1368567188.db2.gz YETPXCZIXDUFBE-RTBURBONSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCC1)C2 ZINC001111947611 1368570606 /nfs/dbraw/zinc/57/06/06/1368570606.db2.gz RMYAMBOIADYMRJ-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196276242 1368582865 /nfs/dbraw/zinc/58/28/65/1368582865.db2.gz WDDUVRMSBGITNA-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020399 1368623249 /nfs/dbraw/zinc/62/32/49/1368623249.db2.gz DHNYXLAMJCQTCJ-FPOVZHCZSA-N 2 0 349.563 3.413 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001196620463 1368650908 /nfs/dbraw/zinc/65/09/08/1368650908.db2.gz ZLMAALPRTVYFDO-UHFFFAOYSA-N 2 0 345.531 3.129 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890619 1368707928 /nfs/dbraw/zinc/70/79/28/1368707928.db2.gz TYHNPNJGQSVVDQ-PXDRNWIDSA-N 2 0 349.563 3.389 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001197898484 1368921684 /nfs/dbraw/zinc/92/16/84/1368921684.db2.gz DVNFGQKNNGKJRW-LJQANCHMSA-N 2 0 345.531 3.322 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548821 1368923608 /nfs/dbraw/zinc/92/36/08/1368923608.db2.gz TZJONHYCWWIKBY-HYNRTBPESA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001112567527 1368930977 /nfs/dbraw/zinc/93/09/77/1368930977.db2.gz UYQPPSLOTWBHRB-OIDOJQHXSA-N 2 0 349.563 3.293 20 0 EGADRP CC1CCC(C[N@@H+]2CCCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001198243345 1368988135 /nfs/dbraw/zinc/98/81/35/1368988135.db2.gz IIBCHPRLYATWJQ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112964839 1369112158 /nfs/dbraw/zinc/11/21/58/1369112158.db2.gz ABXZVQPPQVUWLK-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186605521 1387983535 /nfs/dbraw/zinc/98/35/35/1387983535.db2.gz OOWCIDXHCAGXGK-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC001199137811 1369183991 /nfs/dbraw/zinc/18/39/91/1369183991.db2.gz YYNRRKYTTYULNG-LJQANCHMSA-N 2 0 338.499 3.117 20 0 EGADRP Cc1nn2c(CNC[C@@H](C)C[NH+]3CCCC3)c(C(C)C)nc2s1 ZINC001199403749 1369219851 /nfs/dbraw/zinc/21/98/51/1369219851.db2.gz ZQPRDNPXWHVYQB-CYBMUJFWSA-N 2 0 335.521 3.044 20 0 EGADRP CC(C)CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252434 1369293224 /nfs/dbraw/zinc/29/32/24/1369293224.db2.gz OSBSNKPLYSDUFG-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001200346219 1369351284 /nfs/dbraw/zinc/35/12/84/1369351284.db2.gz MVDXZVNRQRJYNG-QGZVFWFLSA-N 2 0 335.923 3.215 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401490 1369400347 /nfs/dbraw/zinc/40/03/47/1369400347.db2.gz DKKXXPJJWVBUKX-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001200894329 1369445341 /nfs/dbraw/zinc/44/53/41/1369445341.db2.gz PHGOWSJRVJVKBP-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001186747880 1388003508 /nfs/dbraw/zinc/00/35/08/1388003508.db2.gz LXHXKMGLSCUSDP-GOSISDBHSA-N 2 0 340.471 3.113 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001201183045 1369491282 /nfs/dbraw/zinc/49/12/82/1369491282.db2.gz RXRLNFRJUQWQPU-WMZOPIPTSA-N 2 0 334.508 3.097 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400109 1369537087 /nfs/dbraw/zinc/53/70/87/1369537087.db2.gz NXSZYIPMKYMKQP-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001201408217 1369538474 /nfs/dbraw/zinc/53/84/74/1369538474.db2.gz CDAIUYYNCSRNCX-QZTJIDSGSA-N 2 0 334.504 3.082 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C[C@@H]2CC=CCC2)CC3)cn1 ZINC001201412798 1369539864 /nfs/dbraw/zinc/53/98/64/1369539864.db2.gz YPBDKRCALBULLR-GOSISDBHSA-N 2 0 328.504 3.207 20 0 EGADRP CC(C)(C)C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001201435050 1369545517 /nfs/dbraw/zinc/54/55/17/1369545517.db2.gz GNVHIDUECQGKDE-UHFFFAOYSA-N 2 0 331.504 3.042 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cnc(-c4ccccc4)cn3)cc[nH+]2)CC1 ZINC001201649441 1369597117 /nfs/dbraw/zinc/59/71/17/1369597117.db2.gz TZZBTCFGJHLZTM-UHFFFAOYSA-N 2 0 346.438 3.034 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(C(C)(C)C)ns3)cc[nH+]2)CC1 ZINC001201657370 1369598546 /nfs/dbraw/zinc/59/85/46/1369598546.db2.gz HEJAKBGKHUYLCZ-UHFFFAOYSA-N 2 0 331.489 3.331 20 0 EGADRP c1nc(C2CC2)sc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC001201664645 1369601046 /nfs/dbraw/zinc/60/10/46/1369601046.db2.gz QEUYZAFAQWXPQY-UHFFFAOYSA-N 2 0 328.485 3.422 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001201707232 1369609357 /nfs/dbraw/zinc/60/93/57/1369609357.db2.gz XOAKPTVMDKHXSV-LJQANCHMSA-N 2 0 338.536 3.016 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001202765684 1369884096 /nfs/dbraw/zinc/88/40/96/1369884096.db2.gz ZGMNUTJAMDCXMZ-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186981040 1388035205 /nfs/dbraw/zinc/03/52/05/1388035205.db2.gz KEMGEPAYFJGHMF-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203102291 1369984147 /nfs/dbraw/zinc/98/41/47/1369984147.db2.gz HQLCQFSRRCYCGK-IAGOWNOFSA-N 2 0 349.563 3.170 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105358 1369985312 /nfs/dbraw/zinc/98/53/12/1369985312.db2.gz XHOZBQMIZTUDLE-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001203160237 1370004948 /nfs/dbraw/zinc/00/49/48/1370004948.db2.gz WLPUJYKZAANQJM-WAYWQWQTSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034750 1388043393 /nfs/dbraw/zinc/04/33/93/1388043393.db2.gz NAJLUUBLNPUJGD-GLCUZYPYSA-N 2 0 343.515 3.226 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001203283656 1370061632 /nfs/dbraw/zinc/06/16/32/1370061632.db2.gz UWPDQRWEZIXVGI-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330594 1370084806 /nfs/dbraw/zinc/08/48/06/1370084806.db2.gz LQPQIVHEBLUFDV-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330817 1370084846 /nfs/dbraw/zinc/08/48/46/1370084846.db2.gz UFEVPEJONSHFPN-QRMWTIMZSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001203392757 1370109225 /nfs/dbraw/zinc/10/92/25/1370109225.db2.gz BKVZQIFITWEHDK-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP COc1ccc2c(Nc3ccc(N4CC[NH+](C)CC4)nc3)cc[nH+]c2c1 ZINC001203519297 1370152260 /nfs/dbraw/zinc/15/22/60/1370152260.db2.gz CRKGBSPOCDEYCK-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203522705 1370153358 /nfs/dbraw/zinc/15/33/58/1370153358.db2.gz NZNCYQLUDVPNNQ-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203554447 1370167687 /nfs/dbraw/zinc/16/76/87/1370167687.db2.gz CEINVHPLVCKGSF-MOPGFXCFSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203576551 1370176820 /nfs/dbraw/zinc/17/68/20/1370176820.db2.gz FYXKCMXHUGXSEE-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001203749198 1370247904 /nfs/dbraw/zinc/24/79/04/1370247904.db2.gz YAKPQLGTHRFQHH-FGZHOGPDSA-N 2 0 342.527 3.484 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC001203759371 1370252189 /nfs/dbraw/zinc/25/21/89/1370252189.db2.gz DJCLLBLECOAQGP-UHFFFAOYSA-N 2 0 347.547 3.162 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203769944 1370257304 /nfs/dbraw/zinc/25/73/04/1370257304.db2.gz DAGUOOWKARDKHF-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(=O)Oc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001203950966 1370327395 /nfs/dbraw/zinc/32/73/95/1370327395.db2.gz BGAZHHZCDMNVMY-RBUKOAKNSA-N 2 0 330.472 3.451 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001204062671 1370364691 /nfs/dbraw/zinc/36/46/91/1370364691.db2.gz RBTUMBIQDFYQER-UHFFFAOYSA-N 2 0 347.547 3.334 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2c3cc[nH]c3ccc2F)CC1 ZINC001204284015 1370431025 /nfs/dbraw/zinc/43/10/25/1370431025.db2.gz LDJLUDMZDQZVMM-UHFFFAOYSA-N 2 0 325.391 3.197 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCCCC1 ZINC001115450882 1370459278 /nfs/dbraw/zinc/45/92/78/1370459278.db2.gz SBNQSDLGTCBXAN-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CC(=O)n1cc(CN2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC001204405893 1370468615 /nfs/dbraw/zinc/46/86/15/1370468615.db2.gz CGQMZBLFAOEUKI-UHFFFAOYSA-N 2 0 334.423 3.019 20 0 EGADRP Cc1nn(C)cc1CN1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001204582916 1370523370 /nfs/dbraw/zinc/52/33/70/1370523370.db2.gz PUEIDQBYKNIXME-OAQYLSRUSA-N 2 0 338.499 3.217 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115535301 1370532024 /nfs/dbraw/zinc/53/20/24/1370532024.db2.gz QEVHDYJUQGSGJZ-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538335 1370534612 /nfs/dbraw/zinc/53/46/12/1370534612.db2.gz CUQCHPGDIRLIRN-GOSISDBHSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CCCF)CCCCC1)[NH+]1CCCCC1 ZINC001115538629 1370535442 /nfs/dbraw/zinc/53/54/42/1370535442.db2.gz QGQIOXQLMRGHLC-UHFFFAOYSA-N 2 0 341.515 3.019 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543736 1370540588 /nfs/dbraw/zinc/54/05/88/1370540588.db2.gz YDCPZAXTARAYED-PWBPZBFBSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001187241157 1388079156 /nfs/dbraw/zinc/07/91/56/1388079156.db2.gz RORSOWIEOZQYGI-HXUWFJFHSA-N 2 0 345.531 3.232 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC)c1Cl ZINC001204748416 1370564663 /nfs/dbraw/zinc/56/46/63/1370564663.db2.gz LCWBVUCHXJHKDO-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573933 1370576304 /nfs/dbraw/zinc/57/63/04/1370576304.db2.gz YQOAZQTZBYOJKV-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001204798795 1370578126 /nfs/dbraw/zinc/57/81/26/1370578126.db2.gz OGOJYCSPCQOATF-PMACEKPBSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579362 1370582554 /nfs/dbraw/zinc/58/25/54/1370582554.db2.gz KESGATKEGVCCGI-SJORKVTESA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115592155 1370592960 /nfs/dbraw/zinc/59/29/60/1370592960.db2.gz WPDHYXHFHHLWJT-MOPGFXCFSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648410 1370637134 /nfs/dbraw/zinc/63/71/34/1370637134.db2.gz PDBUXLGFLSXPSO-HKUYNNGSSA-N 2 0 349.563 3.316 20 0 EGADRP CCOC(=O)c1ccc(-c2ccc(CN3[C@@H](C)CC[C@H]3C[NH3+])o2)cc1 ZINC001205068338 1370642310 /nfs/dbraw/zinc/64/23/10/1370642310.db2.gz GPBJXTYDEZLKLC-YOEHRIQHSA-N 2 0 342.439 3.435 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661652 1370645918 /nfs/dbraw/zinc/64/59/18/1370645918.db2.gz IWJUTLCJLPJOSN-UHFFFAOYSA-N 2 0 337.552 3.460 20 0 EGADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc3cc(Br)ccc3n2)CC1 ZINC001205117857 1370655741 /nfs/dbraw/zinc/65/57/41/1370655741.db2.gz XCBCDOXTVPTBQK-AWEZNQCLSA-N 2 0 334.261 3.311 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(OCC3CC3)c2)C[C@H]1C[NH3+] ZINC001205140481 1370661819 /nfs/dbraw/zinc/66/18/19/1370661819.db2.gz IXNFRSLNODPAGY-SWLSCSKDSA-N 2 0 340.414 3.103 20 0 EGADRP CC(C)Oc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205145685 1370663283 /nfs/dbraw/zinc/66/32/83/1370663283.db2.gz AMEFHQNYNNRGDE-GXTWGEPZSA-N 2 0 341.293 3.263 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692070 1370673022 /nfs/dbraw/zinc/67/30/22/1370673022.db2.gz GHRLVZMIZGPFLF-SQNIBIBYSA-N 2 0 337.552 3.172 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC001205228069 1370687863 /nfs/dbraw/zinc/68/78/63/1370687863.db2.gz BOSLJAYRVNMJLS-HXUWFJFHSA-N 2 0 344.430 3.294 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001205230696 1370689064 /nfs/dbraw/zinc/68/90/64/1370689064.db2.gz UBOCLMMONSYQKY-CQSZACIVSA-N 2 0 336.785 3.035 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729423 1370710927 /nfs/dbraw/zinc/71/09/27/1370710927.db2.gz FMLXBRQMSLZNGO-UEKDZROGSA-N 2 0 349.563 3.483 20 0 EGADRP C[C@@H]1CC[N@H+](CCCc2ccccc2Br)C[C@H]1C[NH3+] ZINC001205296378 1370711048 /nfs/dbraw/zinc/71/10/48/1370711048.db2.gz NUUPXMZAVYXHIM-UKRRQHHQSA-N 2 0 325.294 3.298 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001205423044 1370750450 /nfs/dbraw/zinc/75/04/50/1370750450.db2.gz BZDNJASFTNRFGJ-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001115768844 1370753352 /nfs/dbraw/zinc/75/33/52/1370753352.db2.gz JXFOLRLVXCBTCX-MOPGFXCFSA-N 2 0 347.547 3.212 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205460891 1370762437 /nfs/dbraw/zinc/76/24/37/1370762437.db2.gz ADEBYAKIWLQFAO-RRFGBZISSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461444 1370762633 /nfs/dbraw/zinc/76/26/33/1370762633.db2.gz JGONVVYLAOOQBG-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001205490756 1370771150 /nfs/dbraw/zinc/77/11/50/1370771150.db2.gz XDQAHXUNPHZIOT-SFHVURJKSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCCC1 ZINC001115805667 1370788949 /nfs/dbraw/zinc/78/89/49/1370788949.db2.gz ANLHBJVNLDTPSC-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1nc(-c2ccccc2)ncc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570082 1370795626 /nfs/dbraw/zinc/79/56/26/1370795626.db2.gz FGVFLOQQOPYLPD-IBGZPJMESA-N 2 0 328.435 3.105 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601805 1370806722 /nfs/dbraw/zinc/80/67/22/1370806722.db2.gz GNZRRHMSVWLFGR-NRSPTQNISA-N 3 0 329.532 3.205 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205601632 1370806960 /nfs/dbraw/zinc/80/69/60/1370806960.db2.gz FLFBSOOHUXCHLD-YJBOKZPZSA-N 2 0 326.488 3.296 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1OCC1CC1 ZINC001205603557 1370808193 /nfs/dbraw/zinc/80/81/93/1370808193.db2.gz QGIUQDBCKKTOPX-IBGZPJMESA-N 2 0 336.451 3.137 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618264 1370813531 /nfs/dbraw/zinc/81/35/31/1370813531.db2.gz TYOUOTVRFKYJGB-QWHCGFSZSA-N 2 0 346.393 3.401 20 0 EGADRP Cn1c2ccccc2c2cc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)ccc21 ZINC001205672178 1370837980 /nfs/dbraw/zinc/83/79/80/1370837980.db2.gz GQLIBXJCAHNGRH-OAQYLSRUSA-N 2 0 337.467 3.007 20 0 EGADRP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205726245 1370853164 /nfs/dbraw/zinc/85/31/64/1370853164.db2.gz RRESHKLKSVKFMW-OAQYLSRUSA-N 2 0 340.467 3.463 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001205726550 1370853840 /nfs/dbraw/zinc/85/38/40/1370853840.db2.gz USXMYNQXPUNOFF-FQEVSTJZSA-N 2 0 346.421 3.308 20 0 EGADRP COc1cc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205780660 1370867798 /nfs/dbraw/zinc/86/77/98/1370867798.db2.gz ROIOTPZIKMCCAE-NSHDSACASA-N 2 0 338.320 3.130 20 0 EGADRP c1cc(-c2ccc(C[NH+]3CCCCC3)cn2)cc(N2CC[NH2+]CC2)c1 ZINC001205936820 1370916634 /nfs/dbraw/zinc/91/66/34/1370916634.db2.gz XUGYPKRJISWJPF-UHFFFAOYSA-N 2 0 336.483 3.144 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003831 1370935761 /nfs/dbraw/zinc/93/57/61/1370935761.db2.gz MXXPKMMYPRSATM-GJZGRUSLSA-N 2 0 343.471 3.151 20 0 EGADRP C[C@@H]1CN(Cc2cc(Cl)cnc2Br)CCC[C@H]1C[NH3+] ZINC001206011210 1370936812 /nfs/dbraw/zinc/93/68/12/1370936812.db2.gz APXSCDZAJLLUOX-MNOVXSKESA-N 2 0 346.700 3.304 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccn2)CCC[C@H]1C[NH3+] ZINC001206013723 1370937802 /nfs/dbraw/zinc/93/78/02/1370937802.db2.gz TZXJNMGSQMYJKL-HKUYNNGSSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCC[C@H]1C[NH3+] ZINC001206036656 1370945205 /nfs/dbraw/zinc/94/52/05/1370945205.db2.gz NGMKWUZKVATPKN-XLIONFOSSA-N 2 0 339.483 3.467 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1OCC1CC1 ZINC001206311897 1371017489 /nfs/dbraw/zinc/01/74/89/1371017489.db2.gz WQJKJCJCGCUEIH-HXUWFJFHSA-N 2 0 332.488 3.435 20 0 EGADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001206310878 1371017901 /nfs/dbraw/zinc/01/79/01/1371017901.db2.gz DVHNXLRKUWDOMI-FQEVSTJZSA-N 2 0 332.488 3.195 20 0 EGADRP Cc1cnc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(Br)c1 ZINC001206317861 1371019859 /nfs/dbraw/zinc/01/98/59/1371019859.db2.gz KBVDYKPYOQYUNK-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206327265 1371023993 /nfs/dbraw/zinc/02/39/93/1371023993.db2.gz UGIZKLZUKIUCBX-MRXNPFEDSA-N 2 0 341.293 3.409 20 0 EGADRP Cn1nccc1CN1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1cccs1 ZINC001206338173 1371026521 /nfs/dbraw/zinc/02/65/21/1371026521.db2.gz XLNNGCONXPFHJP-AYOQOUSVSA-N 2 0 344.528 3.214 20 0 EGADRP Cc1ccc(-c2cnn(CC[NH+](C)C)c2)c(C[NH+]2CCCCC2)c1 ZINC001206373031 1371036440 /nfs/dbraw/zinc/03/64/40/1371036440.db2.gz HHOBYCJVFXNIOA-UHFFFAOYSA-N 2 0 326.488 3.406 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC1 ZINC001206507080 1371076969 /nfs/dbraw/zinc/07/69/69/1371076969.db2.gz ZUANQJBVLXQORD-UHFFFAOYSA-N 2 0 334.357 3.484 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587695 1371100995 /nfs/dbraw/zinc/10/09/95/1371100995.db2.gz NZNSDMLJZFMLAF-QGZVFWFLSA-N 2 0 345.531 3.236 20 0 EGADRP COC(=O)c1cc2cc(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)ccc2[nH]1 ZINC001206599490 1371105551 /nfs/dbraw/zinc/10/55/51/1371105551.db2.gz SPFWUSCLKSSMKD-KRWDZBQOSA-N 2 0 343.471 3.307 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2c(-c3ccccc3)nc3n2CCS3)C1 ZINC001206623606 1371111483 /nfs/dbraw/zinc/11/14/83/1371111483.db2.gz NTRFLPRJXNWJKB-OAHLLOKOSA-N 2 0 342.512 3.217 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)c2c1 ZINC001206649555 1371119703 /nfs/dbraw/zinc/11/97/03/1371119703.db2.gz VSUOXTBNAPDCRT-OAHLLOKOSA-N 2 0 328.456 3.418 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCc2c(F)cccc2F)CC1 ZINC001206745031 1371152039 /nfs/dbraw/zinc/15/20/39/1371152039.db2.gz NMHSSKFYOZBFMV-UHFFFAOYSA-N 2 0 330.422 3.500 20 0 EGADRP CC(C)Oc1ncccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755789 1371154671 /nfs/dbraw/zinc/15/46/71/1371154671.db2.gz PZYXEOVKCUCZNK-UHFFFAOYSA-N 2 0 339.483 3.361 20 0 EGADRP [NH3+][C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC001118287431 1371158467 /nfs/dbraw/zinc/15/84/67/1371158467.db2.gz ZLCZDJPWLDTIGU-HKUYNNGSSA-N 2 0 335.536 3.009 20 0 EGADRP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)n2)cc1 ZINC001206770091 1371159738 /nfs/dbraw/zinc/15/97/38/1371159738.db2.gz QPXBJSZWGHAOET-HZPDHXFCSA-N 2 0 325.456 3.316 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869199 1371197830 /nfs/dbraw/zinc/19/78/30/1371197830.db2.gz XHNCDRGBJKEJKU-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206947939 1371240736 /nfs/dbraw/zinc/24/07/36/1371240736.db2.gz OZBNFVARHCHMEF-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948216 1371240804 /nfs/dbraw/zinc/24/08/04/1371240804.db2.gz ZUCKNYBXALOAMP-CALCHBBNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]([NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001206954405 1371244633 /nfs/dbraw/zinc/24/46/33/1371244633.db2.gz ICBOXDLKSLWCRQ-HXUWFJFHSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001119326649 1371312596 /nfs/dbraw/zinc/31/25/96/1371312596.db2.gz ABSHUSMKIQAXOL-VXGBXAGGSA-N 2 0 343.393 3.223 20 0 EGADRP C[NH+](C)CCOCc1ncn2c1C[N@H+](CCC1CCCCC1)CCC2 ZINC001207262030 1371343597 /nfs/dbraw/zinc/34/35/97/1371343597.db2.gz ITCKTSQWBJMCBP-UHFFFAOYSA-N 2 0 348.535 3.137 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001207288234 1371351658 /nfs/dbraw/zinc/35/16/58/1371351658.db2.gz KSAFZZUOZFLCEH-UHFFFAOYSA-N 2 0 335.511 3.310 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)CC2)cc1 ZINC001207286747 1371351800 /nfs/dbraw/zinc/35/18/00/1371351800.db2.gz LNHKMZQQGXLKIY-SFTDATJTSA-N 2 0 328.500 3.400 20 0 EGADRP COC(=O)[C@@]1(C)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292770 1371352691 /nfs/dbraw/zinc/35/26/91/1371352691.db2.gz ZJFVHVSGMJBPQC-NRFANRHFSA-N 2 0 344.499 3.174 20 0 EGADRP CCN1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC001207295612 1371354503 /nfs/dbraw/zinc/35/45/03/1371354503.db2.gz WKDBSRWSPITLTN-UHFFFAOYSA-N 2 0 329.532 3.315 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207347998 1371367360 /nfs/dbraw/zinc/36/73/60/1371367360.db2.gz NLLPFULUEHJUPU-UHFFFAOYSA-N 2 0 331.495 3.161 20 0 EGADRP COc1cc(C)ccc1OC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399016 1371384402 /nfs/dbraw/zinc/38/44/02/1371384402.db2.gz VVCAORQNVUJIBE-UHFFFAOYSA-N 2 0 332.488 3.189 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001207399683 1371385322 /nfs/dbraw/zinc/38/53/22/1371385322.db2.gz QXCYVDYFYZZIMX-IAGOWNOFSA-N 2 0 339.524 3.096 20 0 EGADRP c1ccc(CN(C2CC2)[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207440697 1371396499 /nfs/dbraw/zinc/39/64/99/1371396499.db2.gz DJJFCNOSZADHDB-NRFANRHFSA-N 2 0 327.516 3.115 20 0 EGADRP CCCC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001207441100 1371397157 /nfs/dbraw/zinc/39/71/57/1371397157.db2.gz QNVOIJXMGMZBDC-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP COc1ccc(CC[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001207474618 1371406929 /nfs/dbraw/zinc/40/69/29/1371406929.db2.gz SOZOTDIERUEQHP-HDICACEKSA-N 2 0 342.508 3.363 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207486052 1371410953 /nfs/dbraw/zinc/41/09/53/1371410953.db2.gz CNAARHISWPVGLR-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001207486923 1371411247 /nfs/dbraw/zinc/41/12/47/1371411247.db2.gz OWZHACIRFVCGGX-QFIPXVFZSA-N 3 0 341.543 3.316 20 0 EGADRP CN1CCC([N@H+](CCC2CC[NH+](C)CC2)Cc2ccc(F)cc2)CC1 ZINC001207488435 1371411938 /nfs/dbraw/zinc/41/19/38/1371411938.db2.gz LCYCJKVOESQYDL-UHFFFAOYSA-N 2 0 347.522 3.454 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207540701 1371430034 /nfs/dbraw/zinc/43/00/34/1371430034.db2.gz AHBYYQOCQJOTQJ-GUDVDZBRSA-N 2 0 337.552 3.266 20 0 EGADRP Fc1cccc(CCC[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC001207600633 1371448692 /nfs/dbraw/zinc/44/86/92/1371448692.db2.gz VYKWSGKNVHGMMT-BGYRXZFFSA-N 2 0 339.458 3.217 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120022233 1371459104 /nfs/dbraw/zinc/45/91/04/1371459104.db2.gz YZLHQHAFFLLYCE-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120032734 1371462725 /nfs/dbraw/zinc/46/27/25/1371462725.db2.gz KQPGXNGSGJKFCW-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(CC)CC)CCCCC1 ZINC001120046454 1371468002 /nfs/dbraw/zinc/46/80/02/1371468002.db2.gz YVQHLQWNBGOFHW-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001120046132 1371468114 /nfs/dbraw/zinc/46/81/14/1371468114.db2.gz LUORLLATYSSTFU-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC001207696455 1371477553 /nfs/dbraw/zinc/47/75/53/1371477553.db2.gz QSCMACAZHNXTID-JLAWEPINSA-N 2 0 336.520 3.101 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3csc(C(F)(F)F)n3)C[C@H]2C1 ZINC001120070897 1371477771 /nfs/dbraw/zinc/47/77/71/1371477771.db2.gz CTPNJFKMHFMGJD-NQBHXWOUSA-N 2 0 333.423 3.324 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3conc3Cc3ccccc3)C[C@H]2C1 ZINC001120072284 1371478473 /nfs/dbraw/zinc/47/84/73/1371478473.db2.gz SOJLICJXMPDEBI-NLWGTHIKSA-N 2 0 339.483 3.428 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130067 1371492112 /nfs/dbraw/zinc/49/21/12/1371492112.db2.gz UECUIBDTMIERNO-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001207758157 1371495583 /nfs/dbraw/zinc/49/55/83/1371495583.db2.gz USQKTFXAJOFKGM-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207789628 1371504788 /nfs/dbraw/zinc/50/47/88/1371504788.db2.gz CBSMHDVREHCJRP-DNVCBOLYSA-N 2 0 342.487 3.273 20 0 EGADRP Cc1cc(N2CC[NH+](CC3(C)CCOCC3)CC2)c2ccccc2[nH+]1 ZINC001207963476 1371551973 /nfs/dbraw/zinc/55/19/73/1371551973.db2.gz ILMYZCWZDWTRAY-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CC1(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCOCC1 ZINC001207968618 1371555565 /nfs/dbraw/zinc/55/55/65/1371555565.db2.gz BHBQGWTYVRGMSP-OAQYLSRUSA-N 2 0 328.500 3.401 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001120403633 1371563505 /nfs/dbraw/zinc/56/35/05/1371563505.db2.gz ZWAHHAROTFNWIZ-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CC1(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC001208078507 1371588781 /nfs/dbraw/zinc/58/87/81/1371588781.db2.gz NTMPDKZMRBRQLB-WOJBJXKFSA-N 2 0 328.500 3.257 20 0 EGADRP C[C@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001208105601 1371596480 /nfs/dbraw/zinc/59/64/80/1371596480.db2.gz ABYKSXUYQCAMMW-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP Cc1csc([C@H]2C[C@@H]3CC[N@@H+](CC4(C)CC[NH+](C)CC4)C[C@H]3O2)n1 ZINC001208109664 1371597590 /nfs/dbraw/zinc/59/75/90/1371597590.db2.gz NNQVCBAQXMZSSU-GVDBMIGSSA-N 2 0 349.544 3.335 20 0 EGADRP CN(Cc1cccc(F)c1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208111322 1371598349 /nfs/dbraw/zinc/59/83/49/1371598349.db2.gz KAKZHVNEDCEOQD-UHFFFAOYSA-N 2 0 347.522 3.454 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001208113465 1371599733 /nfs/dbraw/zinc/59/97/33/1371599733.db2.gz JKLDPVLYBROITM-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208164541 1371614495 /nfs/dbraw/zinc/61/44/95/1371614495.db2.gz SMXDVPUZZVIDSX-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC(COc3cccnc3)CC2)CCCC1 ZINC001208184842 1371623520 /nfs/dbraw/zinc/62/35/20/1371623520.db2.gz QFTPNLKMGBOJCJ-UHFFFAOYSA-N 2 0 331.504 3.294 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001208223223 1371661022 /nfs/dbraw/zinc/66/10/22/1371661022.db2.gz WVMDKBOYZQMDSJ-INIZCTEOSA-N 2 0 330.472 3.012 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208363369 1371736744 /nfs/dbraw/zinc/73/67/44/1371736744.db2.gz YEDKUWRIHGGELF-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208423085 1371762832 /nfs/dbraw/zinc/76/28/32/1371762832.db2.gz DWBYVSOAOVBZIZ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001208447634 1371769565 /nfs/dbraw/zinc/76/95/65/1371769565.db2.gz PEXXSUTXUUMZJX-LJQANCHMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448224 1371769696 /nfs/dbraw/zinc/76/96/96/1371769696.db2.gz XNKYEUXVTLHYSQ-ATZDWAIDSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[C@H](CNc1nccnc1C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC001120896948 1371799418 /nfs/dbraw/zinc/79/94/18/1371799418.db2.gz UUOMFSQPPBFNAB-NVXWUHKLSA-N 2 0 327.476 3.113 20 0 EGADRP CC(C)(C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588677 1371829471 /nfs/dbraw/zinc/82/94/71/1371829471.db2.gz KIGIHSGRUNOGCB-HXUWFJFHSA-N 2 0 329.532 3.457 20 0 EGADRP C[N@@H+]1C[C@@H]2CCCN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC001208588919 1371830181 /nfs/dbraw/zinc/83/01/81/1371830181.db2.gz MXYOKCLZDZDZOC-PCCBWWKXSA-N 2 0 327.516 3.067 20 0 EGADRP C[N@H+](C1CC1)[C@@H]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590817 1371831461 /nfs/dbraw/zinc/83/14/61/1371831461.db2.gz GKNCLOQYTHOJGD-RTWAWAEBSA-N 2 0 327.516 3.210 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC001208591636 1371831722 /nfs/dbraw/zinc/83/17/22/1371831722.db2.gz MNNWJKHMNUZNOQ-QHAWAJNXSA-N 2 0 327.516 3.067 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001208597735 1371835057 /nfs/dbraw/zinc/83/50/57/1371835057.db2.gz MHAKFPMORMKZBD-BZSNNMDCSA-N 2 0 336.520 3.161 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121102297 1371854847 /nfs/dbraw/zinc/85/48/47/1371854847.db2.gz DJJVAPJKQCVKCF-FCOWATRHSA-N 2 0 349.563 3.457 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001121184337 1371882682 /nfs/dbraw/zinc/88/26/82/1371882682.db2.gz VIALDWQWYWCIBV-UHFFFAOYSA-N 2 0 349.544 3.240 20 0 EGADRP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208749317 1371883325 /nfs/dbraw/zinc/88/33/25/1371883325.db2.gz QDSHNGOFBQXERR-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001208757610 1371885724 /nfs/dbraw/zinc/88/57/24/1371885724.db2.gz FMSMEFOMUBPZLG-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208768766 1371890440 /nfs/dbraw/zinc/89/04/40/1371890440.db2.gz HSRZHXJCUGUDPK-OOFWQKGWSA-N 2 0 335.536 3.188 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121237742 1371903063 /nfs/dbraw/zinc/90/30/63/1371903063.db2.gz CQEBCMFTQLJEDH-VOTSOKGWSA-N 2 0 347.547 3.234 20 0 EGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208879041 1371930005 /nfs/dbraw/zinc/93/00/05/1371930005.db2.gz LGCBSOUXZYWUKP-FQEVSTJZSA-N 2 0 341.499 3.451 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001121361729 1371949436 /nfs/dbraw/zinc/94/94/36/1371949436.db2.gz WUUCTPASECIKPQ-UHFFFAOYSA-N 2 0 347.547 3.212 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208933036 1371952094 /nfs/dbraw/zinc/95/20/94/1371952094.db2.gz SUYNFAOUUVRYOK-NHCUHLMSSA-N 2 0 328.500 3.401 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)C2)cc1 ZINC001208940476 1371953746 /nfs/dbraw/zinc/95/37/46/1371953746.db2.gz SDBPQRNDPWNJMV-CRSSMBPESA-N 2 0 326.484 3.008 20 0 EGADRP C[N@@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208963632 1371963561 /nfs/dbraw/zinc/96/35/61/1371963561.db2.gz PIQLPOSJJIPBIN-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001121462584 1371982698 /nfs/dbraw/zinc/98/26/98/1371982698.db2.gz JIRYDKSNYOPDGW-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001121475289 1371986338 /nfs/dbraw/zinc/98/63/38/1371986338.db2.gz STKHGIGTXHAKNT-UFQJCFOOSA-N 2 0 349.563 3.314 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209206088 1372037636 /nfs/dbraw/zinc/03/76/36/1372037636.db2.gz XDYQDSQLWQTBOH-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209204725 1372038158 /nfs/dbraw/zinc/03/81/58/1372038158.db2.gz KRJCBIORQMNZKN-CQQBRXBZSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209206187 1372038641 /nfs/dbraw/zinc/03/86/41/1372038641.db2.gz YUTDQOKCTMQIJO-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP COCCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209215309 1372041009 /nfs/dbraw/zinc/04/10/09/1372041009.db2.gz KQDWBHRJTFTGIS-FQEVSTJZSA-N 2 0 346.515 3.169 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001209315039 1372066966 /nfs/dbraw/zinc/06/69/66/1372066966.db2.gz NWYBRVRTYAIONI-IBGZPJMESA-N 2 0 345.531 3.034 20 0 EGADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](CC4Cc5ccccc5C4)C[C@H]3C2)cc1 ZINC001209321710 1372069314 /nfs/dbraw/zinc/06/93/14/1372069314.db2.gz JMRVLTHLPSRANY-DHIUTWEWSA-N 2 0 332.491 3.465 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC)C2)[NH+](CC)CC ZINC001121763286 1372073070 /nfs/dbraw/zinc/07/30/70/1372073070.db2.gz ZGMRTUQBZWKNHN-FKXCTXBZSA-N 2 0 337.552 3.170 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121791568 1372082273 /nfs/dbraw/zinc/08/22/73/1372082273.db2.gz UJSNWDVXYOLTCQ-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001209444297 1372108554 /nfs/dbraw/zinc/10/85/54/1372108554.db2.gz FJZULJVIOMYPGP-IBGZPJMESA-N 2 0 345.531 3.016 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209659902 1372163020 /nfs/dbraw/zinc/16/30/20/1372163020.db2.gz KBZVVTPJCPMSSN-DKFQHHCZSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209691816 1372171535 /nfs/dbraw/zinc/17/15/35/1372171535.db2.gz YVGQVORHRPNIPK-GIFJBRJJSA-N 2 0 337.552 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC(C)C)C2 ZINC001122106864 1372175413 /nfs/dbraw/zinc/17/54/13/1372175413.db2.gz SVUWFCGCJFPKIZ-FUSSNKQKSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001210033163 1372260279 /nfs/dbraw/zinc/26/02/79/1372260279.db2.gz KIWIXYJOVURANE-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210178885 1372288958 /nfs/dbraw/zinc/28/89/58/1372288958.db2.gz DQBUATLGKBTRRE-YGUXGDEESA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001210181925 1372289685 /nfs/dbraw/zinc/28/96/85/1372289685.db2.gz FXLNVALVRSGRAB-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1)c1ccccc1 ZINC001210216850 1372295796 /nfs/dbraw/zinc/29/57/96/1372295796.db2.gz AIPONPHGURWOBH-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CCOc1ccc(OCC)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210264108 1372309899 /nfs/dbraw/zinc/30/98/99/1372309899.db2.gz KZXDVZVPTKQZTO-UHFFFAOYSA-N 2 0 342.443 3.032 20 0 EGADRP FC(F)(F)Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210266958 1372310124 /nfs/dbraw/zinc/31/01/24/1372310124.db2.gz TVXFDOUIFDETGQ-UHFFFAOYSA-N 2 0 336.361 3.340 20 0 EGADRP c1ccc(C[C@@H]2CN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001210266805 1372310291 /nfs/dbraw/zinc/31/02/91/1372310291.db2.gz JVLSFGWYTRLKFV-XZOQPEGZSA-N 2 0 349.522 3.025 20 0 EGADRP c1ccc(-c2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)nc1 ZINC001210269255 1372310876 /nfs/dbraw/zinc/31/08/76/1372310876.db2.gz PTRHQSNFWITIFF-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP Nc1ccc(-c2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2)cc1 ZINC001210269603 1372311185 /nfs/dbraw/zinc/31/11/85/1372311185.db2.gz YDMNDDBSLOIDRS-UHFFFAOYSA-N 2 0 345.450 3.484 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210482506 1372363857 /nfs/dbraw/zinc/36/38/57/1372363857.db2.gz OPHPUBATSXQUHN-IBGZPJMESA-N 2 0 345.531 3.034 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750723 1372419140 /nfs/dbraw/zinc/41/91/40/1372419140.db2.gz JBZSRIICPMQEQL-OALUTQOASA-N 2 0 345.531 3.369 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211240165 1372509561 /nfs/dbraw/zinc/50/95/61/1372509561.db2.gz GGQLYTBCKCJKEB-RRFGBZISSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211261872 1372514754 /nfs/dbraw/zinc/51/47/54/1372514754.db2.gz FHHMEVOVCYIKSH-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1[nH+]c2ccc(F)cn2c1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212806129 1372777018 /nfs/dbraw/zinc/77/70/18/1372777018.db2.gz NVGICQVAYGOGDE-UHFFFAOYSA-N 2 0 328.391 3.466 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001326555475 1388238006 /nfs/dbraw/zinc/23/80/06/1388238006.db2.gz SOUUXMOHOQLJEB-VAMGGRTRSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1C ZINC001214917393 1373141825 /nfs/dbraw/zinc/14/18/25/1373141825.db2.gz YTQYEGSYQZYPHL-GUDVDZBRSA-N 2 0 348.535 3.343 20 0 EGADRP CC(=O)c1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(F)c1F ZINC001214981524 1373151239 /nfs/dbraw/zinc/15/12/39/1373151239.db2.gz GCUBVYRCTHCMRR-UHFFFAOYSA-N 2 0 346.381 3.058 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)ccc2o1 ZINC001326583100 1388247649 /nfs/dbraw/zinc/24/76/49/1388247649.db2.gz DGKPVYMTGDSVGM-UHFFFAOYSA-N 2 0 342.439 3.185 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188139899 1388247976 /nfs/dbraw/zinc/24/79/76/1388247976.db2.gz UTZWLPWRRLMOJR-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001215778175 1373237352 /nfs/dbraw/zinc/23/73/52/1373237352.db2.gz CRWBMVJUNZLKKG-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001129422429 1373382387 /nfs/dbraw/zinc/38/23/87/1373382387.db2.gz IKKOMFVRUIMGOZ-RTBURBONSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001129422799 1373382663 /nfs/dbraw/zinc/38/26/63/1373382663.db2.gz LOWBQTBATVAODM-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205290 1388263665 /nfs/dbraw/zinc/26/36/65/1388263665.db2.gz JNTUKCULWWTQTP-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)C[C@@](C)(CO[C@H]2CCC[NH2+]CC2)O1 ZINC001217778431 1373499544 /nfs/dbraw/zinc/49/95/44/1373499544.db2.gz OOOGHNSERRNSIG-FPOVZHCZSA-N 2 0 346.515 3.215 20 0 EGADRP c1cc(OCC[NH+]2CCCCCC2)ccc1CO[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001217805563 1373503257 /nfs/dbraw/zinc/50/32/57/1373503257.db2.gz KLNHQDSMWHQROS-SFHLNBCPSA-N 2 0 344.499 3.208 20 0 EGADRP [NH3+]Cc1cccc(CO[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001217908678 1373511202 /nfs/dbraw/zinc/51/12/02/1373511202.db2.gz IBRLBGXIOSWAOW-LJQANCHMSA-N 2 0 328.431 3.466 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001130425313 1373532933 /nfs/dbraw/zinc/53/29/33/1373532933.db2.gz SZFLAICLQKKFIR-INIZCTEOSA-N 2 0 341.499 3.337 20 0 EGADRP F[C@H]1C[NH2+]CC[C@H]1Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001218066473 1373552063 /nfs/dbraw/zinc/55/20/63/1373552063.db2.gz LKJLNHJWSRVFHN-ZWKOTPCHSA-N 2 0 343.446 3.300 20 0 EGADRP O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2c[nH+]cn2c1 ZINC001131375271 1373686370 /nfs/dbraw/zinc/68/63/70/1373686370.db2.gz VUSZDDMKEHDWIV-UHFFFAOYSA-N 2 0 344.418 3.007 20 0 EGADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001219818683 1373733064 /nfs/dbraw/zinc/73/30/64/1373733064.db2.gz JJYUVAWVZGBDLK-CGXNFDGLSA-N 2 0 349.478 3.089 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1F ZINC001131798865 1373810020 /nfs/dbraw/zinc/81/00/20/1373810020.db2.gz ATTXANYEDGIBCC-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP C[NH+]1CCC(c2ccc(C(=O)N3CC[NH+](C(C)(C)C)CC3)cc2)CC1 ZINC001188308754 1388288383 /nfs/dbraw/zinc/28/83/83/1388288383.db2.gz RKNGCNYJPVSHRX-UHFFFAOYSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccc(F)cc1 ZINC001326736240 1388294661 /nfs/dbraw/zinc/29/46/61/1388294661.db2.gz KQLCYLSIDODDRV-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCC3CCCC3)[C@H]2C1 ZINC001223971700 1375050832 /nfs/dbraw/zinc/05/08/32/1375050832.db2.gz NMEUPLNSRWXINU-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001224883579 1375082375 /nfs/dbraw/zinc/08/23/75/1375082375.db2.gz FORYDDFOGZOBKB-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001225228651 1375098457 /nfs/dbraw/zinc/09/84/57/1375098457.db2.gz SPRNEVCBQGLRMY-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225465485 1375113242 /nfs/dbraw/zinc/11/32/42/1375113242.db2.gz VVTKVRYWYXFYJA-ONEGZZNKSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC(C)(C)C ZINC001132105544 1375149723 /nfs/dbraw/zinc/14/97/23/1375149723.db2.gz ITJHPUASLBXCGQ-IAGOWNOFSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CCC1CCCC1 ZINC001132105178 1375149789 /nfs/dbraw/zinc/14/97/89/1375149789.db2.gz BXLQIRZYJNWNSL-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001132105905 1375151151 /nfs/dbraw/zinc/15/11/51/1375151151.db2.gz OGIKFQNWIBVCAY-SJLPKXTDSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@H]1C ZINC001132133063 1375164005 /nfs/dbraw/zinc/16/40/05/1375164005.db2.gz XLXJSRMDESUDJQ-GDBMZVCRSA-N 2 0 328.460 3.336 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150397 1375171426 /nfs/dbraw/zinc/17/14/26/1375171426.db2.gz QMVBXEALOFDVMP-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132154357 1375174099 /nfs/dbraw/zinc/17/40/99/1375174099.db2.gz ZCOGIBSVBNYOMA-IEBWSBKVSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132202044 1375205709 /nfs/dbraw/zinc/20/57/09/1375205709.db2.gz BJQFQXIRZBOYHY-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132207205 1375209521 /nfs/dbraw/zinc/20/95/21/1375209521.db2.gz RAMRGCAIFRCTJG-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214231 1375213188 /nfs/dbraw/zinc/21/31/88/1375213188.db2.gz DVSXUNCXIGUWSU-MSOLQXFVSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214327 1375213695 /nfs/dbraw/zinc/21/36/95/1375213695.db2.gz FTMDPIOBABKKEB-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265576 1375254401 /nfs/dbraw/zinc/25/44/01/1375254401.db2.gz PAZBNXXRWRRUTN-BUPXIBQPSA-N 2 0 335.536 3.044 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132339315 1375317938 /nfs/dbraw/zinc/31/79/38/1375317938.db2.gz DPNYFWZTWSMKMS-ZMGAVLDPSA-N 2 0 335.536 3.044 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132367763 1375332250 /nfs/dbraw/zinc/33/22/50/1375332250.db2.gz FUNAURNHIYDCBI-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132375622 1375337896 /nfs/dbraw/zinc/33/78/96/1375337896.db2.gz GGDOSEOICFEEAF-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226799583 1375338221 /nfs/dbraw/zinc/33/82/21/1375338221.db2.gz CQCFDTXHALWLTH-IOIJZZRGSA-N 2 0 335.536 3.090 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCF)C1 ZINC001132419971 1375368794 /nfs/dbraw/zinc/36/87/94/1375368794.db2.gz KZVXYOUXVINKPL-QZTJIDSGSA-N 2 0 343.531 3.217 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434515 1375378124 /nfs/dbraw/zinc/37/81/24/1375378124.db2.gz YADLMRFDKROBSB-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1cccc(F)c1 ZINC001132434481 1375378377 /nfs/dbraw/zinc/37/83/77/1375378377.db2.gz XJJJJRMPMNSVGP-QFBILLFUSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132435377 1375379904 /nfs/dbraw/zinc/37/99/04/1375379904.db2.gz CICVJJUAPRDVJE-FFQNAWCLSA-N 2 0 343.515 3.011 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCC2)C1 ZINC001132436789 1375380895 /nfs/dbraw/zinc/38/08/95/1375380895.db2.gz OHUWIUYYKSPYIK-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCC(C)(C)C ZINC001132436722 1375381221 /nfs/dbraw/zinc/38/12/21/1375381221.db2.gz NCZXRIGTOXJJEY-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132437454 1375382091 /nfs/dbraw/zinc/38/20/91/1375382091.db2.gz UVVGGXBXNOYJOA-PKOBYXMFSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132437371 1375382133 /nfs/dbraw/zinc/38/21/33/1375382133.db2.gz SMDYTMOGQXZSIC-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CCC(C)(C)C ZINC001132518948 1375436830 /nfs/dbraw/zinc/43/68/30/1375436830.db2.gz QLWOALSKIGSMSF-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132522462 1375438083 /nfs/dbraw/zinc/43/80/83/1375438083.db2.gz PEDIZGSCRNGPBQ-FXAWDEMLSA-N 2 0 345.531 3.058 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CC2)CCCCC1 ZINC001227703908 1375464359 /nfs/dbraw/zinc/46/43/59/1375464359.db2.gz OMRMNFKXPAHQGA-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C/Cl)CCCC1 ZINC001227750373 1375471109 /nfs/dbraw/zinc/47/11/09/1375471109.db2.gz FGFFPHOPYZUJTH-PWEFJHHISA-N 2 0 341.927 3.020 20 0 EGADRP CC1CCC(C[NH+]2CCC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001227877758 1375485823 /nfs/dbraw/zinc/48/58/23/1375485823.db2.gz YDFIGXXYOFVPGC-QLOJAFMTSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228261194 1375536538 /nfs/dbraw/zinc/53/65/38/1375536538.db2.gz HYFGVDNZHRFOIY-RCCFBDPRSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001228595048 1375609193 /nfs/dbraw/zinc/60/91/93/1375609193.db2.gz RFZVDXAQALAGOZ-DFQSSKMNSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC001229058885 1375753855 /nfs/dbraw/zinc/75/38/55/1375753855.db2.gz WKGDVVUZHYXRRX-YLJYHZDGSA-N 2 0 345.531 3.223 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001229172059 1375780121 /nfs/dbraw/zinc/78/01/21/1375780121.db2.gz UZQYZGSUEWOWER-PKOBYXMFSA-N 2 0 339.568 3.370 20 0 EGADRP C[N@H+](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)CC(C)(C)C ZINC001229215804 1375788523 /nfs/dbraw/zinc/78/85/23/1375788523.db2.gz VIVFLWBNJNHCCE-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133162239 1375816198 /nfs/dbraw/zinc/81/61/98/1375816198.db2.gz JTBFYBYLHQPZFQ-WYTZPYIFSA-N 2 0 349.563 3.149 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133254173 1375870863 /nfs/dbraw/zinc/87/08/63/1375870863.db2.gz PGMVUFIFLCNAOW-RBUKOAKNSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133261647 1375877464 /nfs/dbraw/zinc/87/74/64/1375877464.db2.gz BVOLERVPAVUFRZ-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133274358 1375889143 /nfs/dbraw/zinc/88/91/43/1375889143.db2.gz HACIIGAHODIGTN-QUCCMNQESA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133274862 1375889671 /nfs/dbraw/zinc/88/96/71/1375889671.db2.gz NJBNIEGKZSOUOC-VXOKQSJXSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001229837265 1375901354 /nfs/dbraw/zinc/90/13/54/1375901354.db2.gz DCCBVGXDAAXEFF-DFQSSKMNSA-N 2 0 345.531 3.497 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001229860492 1375904939 /nfs/dbraw/zinc/90/49/39/1375904939.db2.gz UZJKZWYSHRJGRA-ASOYJQDNSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001133333362 1375928108 /nfs/dbraw/zinc/92/81/08/1375928108.db2.gz GCMOUVOBIGFZGZ-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133338045 1375930896 /nfs/dbraw/zinc/93/08/96/1375930896.db2.gz SDXBKVPURRUHND-FXAWDEMLSA-N 2 0 345.531 3.236 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001230105559 1375944070 /nfs/dbraw/zinc/94/40/70/1375944070.db2.gz UJYPVKOWQMZOQT-IBGZPJMESA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001230374374 1376010189 /nfs/dbraw/zinc/01/01/89/1376010189.db2.gz UFYAXIVNIOGJOP-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001230377945 1376011570 /nfs/dbraw/zinc/01/15/70/1376011570.db2.gz DYOIKZDLSVXRSA-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001230598437 1376094067 /nfs/dbraw/zinc/09/40/67/1376094067.db2.gz OOHOJNISDDNKMC-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001230598436 1376095153 /nfs/dbraw/zinc/09/51/53/1376095153.db2.gz OOHOJNISDDNKMC-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612498 1376102147 /nfs/dbraw/zinc/10/21/47/1376102147.db2.gz BQGUMCAYDTYKNL-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230623013 1376104917 /nfs/dbraw/zinc/10/49/17/1376104917.db2.gz UUSJDZJRKNCWIU-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC2CC(C)C2)CC1 ZINC001230629990 1376107980 /nfs/dbraw/zinc/10/79/80/1376107980.db2.gz RGARPIXSPSXMSP-AFMYVXGZSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188970040 1388423692 /nfs/dbraw/zinc/42/36/92/1388423692.db2.gz FHBXHQNGKZHCCT-XUVXKRRUSA-N 2 0 343.515 3.012 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001327173418 1388421469 /nfs/dbraw/zinc/42/14/69/1388421469.db2.gz QDUJNYXITUFEJO-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP C[N@H+](CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)CC(C)(C)C ZINC001133906201 1376258768 /nfs/dbraw/zinc/25/87/68/1376258768.db2.gz PVGXNNSITPNQMO-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232013522 1376381181 /nfs/dbraw/zinc/38/11/81/1376381181.db2.gz AXYHZFFXIFSAFP-HNNXBMFYSA-N 2 0 330.432 3.004 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC001232145893 1376408969 /nfs/dbraw/zinc/40/89/69/1376408969.db2.gz ZOVTXKLQLSNTGV-UHFFFAOYSA-N 2 0 333.495 3.338 20 0 EGADRP CCC[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232366541 1376449108 /nfs/dbraw/zinc/44/91/08/1376449108.db2.gz XAMPDNVOZCQBBF-UHFFFAOYSA-N 2 0 338.499 3.246 20 0 EGADRP Nc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232369918 1376450311 /nfs/dbraw/zinc/45/03/11/1376450311.db2.gz GDHCQIAMDMTASF-PMACEKPBSA-N 2 0 336.483 3.008 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC001327207348 1388443500 /nfs/dbraw/zinc/44/35/00/1388443500.db2.gz XSTLLHWTXJISIM-UZLBHIALSA-N 2 0 329.488 3.389 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890144 1376534830 /nfs/dbraw/zinc/53/48/30/1376534830.db2.gz PVYUKNSVYRMIKH-FQEVSTJZSA-N 2 0 325.431 3.415 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134521102 1376575239 /nfs/dbraw/zinc/57/52/39/1376575239.db2.gz WERQRDPLCXRPNF-CABCVRRESA-N 2 0 337.533 3.262 20 0 EGADRP Cc1cc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cnc1C ZINC001233158463 1376576677 /nfs/dbraw/zinc/57/66/77/1376576677.db2.gz IKHMJJWSSRMAFH-HDICACEKSA-N 2 0 327.497 3.324 20 0 EGADRP C[N@@H+](Cc1cncc(Cl)n1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001233450241 1376649055 /nfs/dbraw/zinc/64/90/55/1376649055.db2.gz LTKBHVSRJMZKFN-UHFFFAOYSA-N 2 0 344.890 3.474 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1=CCCCC1 ZINC001134730030 1376682064 /nfs/dbraw/zinc/68/20/64/1376682064.db2.gz SCBGWFGSBVYMOS-MSOLQXFVSA-N 2 0 347.547 3.236 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730373 1376683507 /nfs/dbraw/zinc/68/35/07/1376683507.db2.gz VSIIXLSEVRPYST-LXORQPIJSA-N 2 0 349.563 3.482 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001134772875 1376712750 /nfs/dbraw/zinc/71/27/50/1376712750.db2.gz INZXLIXWQXKRCI-ROUUACIJSA-N 2 0 347.547 3.222 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134782000 1376717850 /nfs/dbraw/zinc/71/78/50/1376717850.db2.gz CIQOOTLPHVKFTG-IKSUFZCESA-N 2 0 346.519 3.137 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784290 1376718780 /nfs/dbraw/zinc/71/87/80/1376718780.db2.gz SCGUBJCNDCAICB-ROUUACIJSA-N 2 0 348.535 3.217 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784951 1376719069 /nfs/dbraw/zinc/71/90/69/1376719069.db2.gz YJFOCWOPJWDPEG-DLBZAZTESA-N 2 0 348.535 3.217 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134807999 1376736051 /nfs/dbraw/zinc/73/60/51/1376736051.db2.gz CCXKKFXPLNMUMH-CABCVRRESA-N 2 0 328.460 3.095 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C)ccc2c[nH+]cn21 ZINC001134820461 1376741562 /nfs/dbraw/zinc/74/15/62/1376741562.db2.gz JTBGYHCDIHPYGP-CABCVRRESA-N 2 0 330.476 3.175 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858486 1376757500 /nfs/dbraw/zinc/75/75/00/1376757500.db2.gz UVFMXJFKGYMIOD-ROUUACIJSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCC1 ZINC001134858559 1376757791 /nfs/dbraw/zinc/75/77/91/1376757791.db2.gz WALAJEFZXOOVBL-SJORKVTESA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999101 1376835963 /nfs/dbraw/zinc/83/59/63/1376835963.db2.gz NVCRJKCPNOLNBQ-HZPDHXFCSA-N 2 0 342.487 3.401 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042180 1376838829 /nfs/dbraw/zinc/83/88/29/1376838829.db2.gz VGIIJSZGWARWQZ-OAQYLSRUSA-N 3 0 345.531 3.125 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042179 1376839170 /nfs/dbraw/zinc/83/91/70/1376839170.db2.gz VGIIJSZGWARWQZ-NRFANRHFSA-N 3 0 345.531 3.125 20 0 EGADRP COc1cccc2[nH]cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC001235428999 1376869553 /nfs/dbraw/zinc/86/95/53/1376869553.db2.gz SJEUMFDTYZHYHJ-JKSUJKDBSA-N 2 0 327.472 3.388 20 0 EGADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427560 1376870798 /nfs/dbraw/zinc/87/07/98/1376870798.db2.gz SJIQPOSJXSMXQD-QZTJIDSGSA-N 2 0 339.483 3.455 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427557 1376870972 /nfs/dbraw/zinc/87/09/72/1376870972.db2.gz MELBOJLOLLKKKW-OALUTQOASA-N 2 0 330.472 3.075 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102303 1376899966 /nfs/dbraw/zinc/89/99/66/1376899966.db2.gz CBKIXDLAHVORMI-UYAOXDASSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101749 1376899980 /nfs/dbraw/zinc/89/99/80/1376899980.db2.gz QTXXOXZNVOYPBC-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CCOc1cc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)c(F)cn1 ZINC001235873707 1376906684 /nfs/dbraw/zinc/90/66/84/1376906684.db2.gz FEZXIQDPLPBKFW-UHFFFAOYSA-N 2 0 343.446 3.457 20 0 EGADRP [NH3+]CCN(CC[NH3+])Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001235875118 1376906782 /nfs/dbraw/zinc/90/67/82/1376906782.db2.gz BGHYXEYCDPLEEF-UHFFFAOYSA-N 2 0 337.389 3.092 20 0 EGADRP c1ccc(C2([NH+]3CCN(C[C@@H]4Cc5ccccc5C[NH2+]4)CC3)CC2)cc1 ZINC001236229843 1376942299 /nfs/dbraw/zinc/94/22/99/1376942299.db2.gz PHRQNPCFCGZCTE-QFIPXVFZSA-N 2 0 347.506 3.008 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@H+](C)C3(C)CC[NH2+]CC3)c2c1 ZINC001236227370 1376942415 /nfs/dbraw/zinc/94/24/15/1376942415.db2.gz DGUSBQILZSGITH-UHFFFAOYSA-N 2 0 328.456 3.431 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc3occc32)CC1 ZINC001236736889 1376963993 /nfs/dbraw/zinc/96/39/93/1376963993.db2.gz ILEVHNUVQYCTFU-UHFFFAOYSA-N 2 0 329.488 3.282 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001242153270 1377022870 /nfs/dbraw/zinc/02/28/70/1377022870.db2.gz XLGRDNVCDAUUNS-FQEVSTJZSA-N 2 0 326.440 3.035 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299531 1377026852 /nfs/dbraw/zinc/02/68/52/1377026852.db2.gz XPBYMDIFGOYCNG-CVEARBPZSA-N 2 0 337.508 3.408 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135307307 1377029016 /nfs/dbraw/zinc/02/90/16/1377029016.db2.gz BZUAEPVQJHPTOV-HZPDHXFCSA-N 2 0 347.503 3.328 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001135316345 1377034479 /nfs/dbraw/zinc/03/44/79/1377034479.db2.gz UNSCLSYGRYXLDK-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c(C)s1 ZINC001135320421 1377036665 /nfs/dbraw/zinc/03/66/65/1377036665.db2.gz OJZNMBINZKPJOJ-KBPBESRZSA-N 2 0 339.549 3.080 20 0 EGADRP COc1ccc(C2(N[C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC[NH2+]CC2)cc1 ZINC001246380360 1377051572 /nfs/dbraw/zinc/05/15/72/1377051572.db2.gz KPJVIIBBNHRJCS-HKUYNNGSSA-N 2 0 345.531 3.030 20 0 EGADRP Clc1ccccc1CC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246380949 1377051719 /nfs/dbraw/zinc/05/17/19/1377051719.db2.gz KYVSCVPVQBHFPY-BCDXTJNWSA-N 2 0 347.934 3.267 20 0 EGADRP Fc1ccc(N2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246543504 1377052650 /nfs/dbraw/zinc/05/26/50/1377052650.db2.gz YYGLHSRAOMONFL-IBGZPJMESA-N 2 0 331.479 3.403 20 0 EGADRP CC(C)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC[NH2+]1 ZINC001246728025 1377053531 /nfs/dbraw/zinc/05/35/31/1377053531.db2.gz JNUWRLHUFFZZPV-IYWMVGAKSA-N 2 0 341.499 3.033 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CCN([C@H]4C[NH2+][C@@H](C)C4)CC3)CC2)cc1 ZINC001246716342 1377053653 /nfs/dbraw/zinc/05/36/53/1377053653.db2.gz UNOFRFYRPZVBGX-PZJWPPBQSA-N 2 0 341.543 3.423 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246747805 1377053902 /nfs/dbraw/zinc/05/39/02/1377053902.db2.gz RXOKLLKPXRKSQY-XBVQOTNRSA-N 2 0 347.528 3.094 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]21 ZINC001246764442 1377054387 /nfs/dbraw/zinc/05/43/87/1377054387.db2.gz GPZDFOJJDCTZHO-QANQIFJLSA-N 2 0 327.516 3.237 20 0 EGADRP C[C@@H]1CC[C@@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C[NH2+]1 ZINC001246820528 1377055092 /nfs/dbraw/zinc/05/50/92/1377055092.db2.gz WJSMVUCFBRXOMX-YLJYHZDGSA-N 2 0 329.532 3.242 20 0 EGADRP Fc1cccc(CN([C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246938756 1377056029 /nfs/dbraw/zinc/05/60/29/1377056029.db2.gz TWGUZZOVNLKZTJ-NJYVYQBISA-N 3 0 345.506 3.302 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001327276678 1388477278 /nfs/dbraw/zinc/47/72/78/1388477278.db2.gz DTTNUWWCVQAKAG-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135376243 1377062052 /nfs/dbraw/zinc/06/20/52/1377062052.db2.gz RXMGJVRPSDOAFX-IAGOWNOFSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135392016 1377070437 /nfs/dbraw/zinc/07/04/37/1377070437.db2.gz WQYDJIVTEGIKMC-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254529244 1377107145 /nfs/dbraw/zinc/10/71/45/1377107145.db2.gz FKVGWRMHKJJEDM-IRXDYDNUSA-N 2 0 339.524 3.050 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468439 1377107660 /nfs/dbraw/zinc/10/76/60/1377107660.db2.gz PLIAQQOIVHLSMU-ROUUACIJSA-N 2 0 345.531 3.100 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C)C(C)C ZINC001135474026 1377110129 /nfs/dbraw/zinc/11/01/29/1377110129.db2.gz DPODWAYARTWCGF-UYAOXDASSA-N 2 0 347.547 3.437 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\Cl ZINC001135691519 1377184923 /nfs/dbraw/zinc/18/49/23/1377184923.db2.gz VTQFEMHGFCZJRX-SBKIPFDTSA-N 2 0 331.932 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135690529 1377184978 /nfs/dbraw/zinc/18/49/78/1377184978.db2.gz IKYUANUDOLVSDK-ROUUACIJSA-N 2 0 327.557 3.418 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788544 1377211433 /nfs/dbraw/zinc/21/14/33/1377211433.db2.gz HMIZPZMDMYNYBA-IAGOWNOFSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCF)CC1 ZINC001135823382 1377222420 /nfs/dbraw/zinc/22/24/20/1377222420.db2.gz ACYBLZVEPVJSAL-SJORKVTESA-N 2 0 343.531 3.120 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135858484 1377236999 /nfs/dbraw/zinc/23/69/99/1377236999.db2.gz YPJLEEYXXLXMPV-HOTGVXAUSA-N 2 0 345.487 3.148 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135861639 1377238742 /nfs/dbraw/zinc/23/87/42/1377238742.db2.gz UYBKMFYTWFIXHM-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939173 1377270502 /nfs/dbraw/zinc/27/05/02/1377270502.db2.gz VOTYWTVOFKZIGL-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944193 1377272662 /nfs/dbraw/zinc/27/26/62/1377272662.db2.gz GMERIHSMGUMGIO-JKSUJKDBSA-N 2 0 346.519 3.214 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC001135961503 1377277624 /nfs/dbraw/zinc/27/76/24/1377277624.db2.gz RLBYQTHXZDDGRH-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CCCc1ccccc1 ZINC001135975718 1377283510 /nfs/dbraw/zinc/28/35/10/1377283510.db2.gz BCDCMRPMMHOEFP-MOPGFXCFSA-N 2 0 347.547 3.224 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135976996 1377284746 /nfs/dbraw/zinc/28/47/46/1377284746.db2.gz PHTAIXOPYVNAJF-QWHCGFSZSA-N 2 0 345.940 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135980169 1377285691 /nfs/dbraw/zinc/28/56/91/1377285691.db2.gz LXDUMIRYLIHYLP-IRXDYDNUSA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135980660 1377285762 /nfs/dbraw/zinc/28/57/62/1377285762.db2.gz REXJHLHDDIZXLG-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135992872 1377291526 /nfs/dbraw/zinc/29/15/26/1377291526.db2.gz WBHJQGGPPPCXMZ-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001135995623 1377292008 /nfs/dbraw/zinc/29/20/08/1377292008.db2.gz IRSZKGKHTRKKOG-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001135997120 1377292755 /nfs/dbraw/zinc/29/27/55/1377292755.db2.gz YRYSUHFAWNDIDN-MSOLQXFVSA-N 2 0 337.552 3.482 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1 ZINC001136329714 1377377617 /nfs/dbraw/zinc/37/76/17/1377377617.db2.gz LZZLQYFTVUJQRH-CQSZACIVSA-N 2 0 330.407 3.072 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001136465502 1377395784 /nfs/dbraw/zinc/39/57/84/1377395784.db2.gz OSMMUMRXTJGOGG-QGZVFWFLSA-N 2 0 347.503 3.260 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266972092 1377405945 /nfs/dbraw/zinc/40/59/45/1377405945.db2.gz UISJXDCBOSZRCQ-IRXDYDNUSA-N 2 0 333.520 3.128 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001267071120 1377410149 /nfs/dbraw/zinc/41/01/49/1377410149.db2.gz DQBSRNHMWZUFHI-WMZOPIPTSA-N 2 0 345.531 3.045 20 0 EGADRP COc1cccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535351 1377562324 /nfs/dbraw/zinc/56/23/24/1377562324.db2.gz JEVSSFAXINLCKJ-MOPGFXCFSA-N 2 0 337.467 3.044 20 0 EGADRP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001270650776 1377608788 /nfs/dbraw/zinc/60/87/88/1377608788.db2.gz YFXNDDRNDGWBNL-PZJWPPBQSA-N 2 0 345.531 3.231 20 0 EGADRP Cc1cccc(C)c1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001137849165 1377630348 /nfs/dbraw/zinc/63/03/48/1377630348.db2.gz GPBSRWQLQBEVLO-UHFFFAOYSA-N 2 0 338.499 3.154 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c2c(OC)cccc12 ZINC001138749204 1377780326 /nfs/dbraw/zinc/78/03/26/1377780326.db2.gz WBNMSHLAAXUCTH-WBVHZDCISA-N 2 0 340.467 3.241 20 0 EGADRP CC[N@H+]1C[C@H]2CN(Cc3cnc(-c4ccc(F)cc4)s3)C[C@H]2C1 ZINC001140099208 1378007683 /nfs/dbraw/zinc/00/76/83/1378007683.db2.gz XPOPENMGHHTNMY-GASCZTMLSA-N 2 0 331.460 3.333 20 0 EGADRP COc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1OCC1CC1 ZINC001140491044 1378071878 /nfs/dbraw/zinc/07/18/78/1378071878.db2.gz MFPMTDXLYPRNEA-UHFFFAOYSA-N 2 0 330.472 3.012 20 0 EGADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc21 ZINC001140507734 1378074882 /nfs/dbraw/zinc/07/48/82/1378074882.db2.gz PFAUDQYIDZUKMF-GOSISDBHSA-N 2 0 326.488 3.414 20 0 EGADRP Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001140592188 1378092743 /nfs/dbraw/zinc/09/27/43/1378092743.db2.gz ZDOCIUILGMPFER-QUCCMNQESA-N 2 0 339.458 3.483 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cc[nH]c1)CC2 ZINC001140707129 1378120199 /nfs/dbraw/zinc/12/01/99/1378120199.db2.gz ZXXGZTLDBNZZOS-UHFFFAOYSA-N 2 0 328.460 3.250 20 0 EGADRP FC(F)(F)CCC[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275165769 1378137237 /nfs/dbraw/zinc/13/72/37/1378137237.db2.gz JLYJJMRGOTWPMP-UHFFFAOYSA-N 2 0 344.425 3.430 20 0 EGADRP Cc1nccnc1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001140936517 1378184516 /nfs/dbraw/zinc/18/45/16/1378184516.db2.gz QSYVTRBQLYJJEJ-LJQANCHMSA-N 2 0 340.471 3.255 20 0 EGADRP Cc1nccnc1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001140936516 1378184811 /nfs/dbraw/zinc/18/48/11/1378184811.db2.gz QSYVTRBQLYJJEJ-IBGZPJMESA-N 2 0 340.471 3.255 20 0 EGADRP Cc1c[nH]c(=O)c(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001276871892 1378190012 /nfs/dbraw/zinc/19/00/12/1378190012.db2.gz GTTJMARWHZJQQR-UHFFFAOYSA-N 2 0 329.488 3.326 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2CC1(C)CCCCC1 ZINC001277620205 1378239791 /nfs/dbraw/zinc/23/97/91/1378239791.db2.gz FAKBIPSIKOVJDO-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(-n3ccnc3)c2)CC1 ZINC001141242108 1378281692 /nfs/dbraw/zinc/28/16/92/1378281692.db2.gz PNVHOGZJVOPIGF-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC001141406362 1378319467 /nfs/dbraw/zinc/31/94/67/1378319467.db2.gz SDNGDFDOQVOUAM-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP COc1cc(C(F)(F)F)ccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001141612131 1378350782 /nfs/dbraw/zinc/35/07/82/1378350782.db2.gz OALKQTQBPAGRRF-UHFFFAOYSA-N 2 0 328.378 3.242 20 0 EGADRP CC[N@H+]1C[C@H]2CN(Cc3nccnc3-c3ccc(Cl)cc3)C[C@H]2C1 ZINC001142980665 1378521349 /nfs/dbraw/zinc/52/13/49/1378521349.db2.gz JBMBOMBNVQEUCX-IYBDPMFKSA-N 2 0 342.874 3.181 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCCC2)CCC1 ZINC001282668231 1378541437 /nfs/dbraw/zinc/54/14/37/1378541437.db2.gz VYABGDSIFSNSCA-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001143838516 1378651929 /nfs/dbraw/zinc/65/19/29/1378651929.db2.gz LJIWWOJSEXTVCI-PKOBYXMFSA-N 2 0 345.531 3.352 20 0 EGADRP Cc1c(O)cccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001144107618 1378683337 /nfs/dbraw/zinc/68/33/37/1378683337.db2.gz MSWPULCFECXKBI-UHFFFAOYSA-N 2 0 332.488 3.025 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001146391704 1378832969 /nfs/dbraw/zinc/83/29/69/1378832969.db2.gz IUKOHVSMUYZBAR-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398715 1378834830 /nfs/dbraw/zinc/83/48/30/1378834830.db2.gz RCRKOUHGQWARJP-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584730 1378871246 /nfs/dbraw/zinc/87/12/46/1378871246.db2.gz UQTPUCXUGUFXRU-IRXDYDNUSA-N 2 0 331.504 3.201 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001146593042 1378873492 /nfs/dbraw/zinc/87/34/92/1378873492.db2.gz MSXKXGDMIGCHDW-SJORKVTESA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146611654 1378877595 /nfs/dbraw/zinc/87/75/95/1378877595.db2.gz NILQNCKGUVXQFI-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC2CC2)o1 ZINC001146702312 1378901618 /nfs/dbraw/zinc/90/16/18/1378901618.db2.gz VFERAGACZUGPIN-HOTGVXAUSA-N 2 0 349.519 3.408 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146701590 1378901909 /nfs/dbraw/zinc/90/19/09/1378901909.db2.gz NOFRUBLEJJQKHK-JKSUJKDBSA-N 2 0 337.508 3.408 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001147658677 1379056481 /nfs/dbraw/zinc/05/64/81/1379056481.db2.gz WYBALOBCZJEGLU-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284915 1379145136 /nfs/dbraw/zinc/14/51/36/1379145136.db2.gz JKHREKLJLCSHQB-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001148458133 1379176054 /nfs/dbraw/zinc/17/60/54/1379176054.db2.gz KMFBNUQAEYIYDQ-CLFYSBASSA-N 2 0 349.563 3.389 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001148643160 1379233328 /nfs/dbraw/zinc/23/33/28/1379233328.db2.gz SKNGVWVDINIMEE-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001327841110 1388604005 /nfs/dbraw/zinc/60/40/05/1388604005.db2.gz VFCBQRXBMLTQLK-SJORKVTESA-N 3 0 333.520 3.187 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)c3ccn4c[nH+]cc4c3)cc2)CC1 ZINC001151905216 1379813739 /nfs/dbraw/zinc/81/37/39/1379813739.db2.gz GXEUEJQBUBBDFC-UHFFFAOYSA-N 2 0 334.423 3.396 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152230932 1379891383 /nfs/dbraw/zinc/89/13/83/1379891383.db2.gz RZMGJHFIDFOKRE-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC001152470441 1379939198 /nfs/dbraw/zinc/93/91/98/1379939198.db2.gz AMXKQVHCIGAZES-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC001152471624 1379939308 /nfs/dbraw/zinc/93/93/08/1379939308.db2.gz NBRBOMQZVYHMJF-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C)c1ccccc1 ZINC001284599130 1379999757 /nfs/dbraw/zinc/99/97/57/1379999757.db2.gz RTFVLZVSZHCFFX-SJLPKXTDSA-N 2 0 345.531 3.352 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC001153314054 1380054104 /nfs/dbraw/zinc/05/41/04/1380054104.db2.gz BYQKICOYWRBMRQ-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP CCc1nccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C ZINC001153445738 1380078098 /nfs/dbraw/zinc/07/80/98/1380078098.db2.gz IHYIPERJCUMNTC-DLBZAZTESA-N 2 0 336.524 3.269 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153653689 1380110737 /nfs/dbraw/zinc/11/07/37/1380110737.db2.gz AJMWODJAXIAHKB-SKFQIZJUSA-N 2 0 343.531 3.239 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C)c1 ZINC001153720501 1380118664 /nfs/dbraw/zinc/11/86/64/1380118664.db2.gz GRRDDKYZNZNYCY-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123049 1380213190 /nfs/dbraw/zinc/21/31/90/1380213190.db2.gz MIXONONROLMWOI-QZTJIDSGSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178713 1380222006 /nfs/dbraw/zinc/22/20/06/1380222006.db2.gz MUIUMNZPKZEBTL-OAHLLOKOSA-N 2 0 342.487 3.211 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481770 1380286617 /nfs/dbraw/zinc/28/66/17/1380286617.db2.gz UENMEBACQQREQP-GOSISDBHSA-N 2 0 345.531 3.197 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154784993 1380350749 /nfs/dbraw/zinc/35/07/49/1380350749.db2.gz VATLSYCNPFQUIA-QZTJIDSGSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904245 1380374623 /nfs/dbraw/zinc/37/46/23/1380374623.db2.gz QJCBIWVOACNABA-CYBMUJFWSA-N 2 0 345.940 3.070 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023463 1380393150 /nfs/dbraw/zinc/39/31/50/1380393150.db2.gz GZSKJJOOFUUHEM-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCc1ccccc1)[NH+](CC)CC ZINC001155174985 1380419729 /nfs/dbraw/zinc/41/97/29/1380419729.db2.gz OAJLGRGBLBPVDM-UYAOXDASSA-N 2 0 347.547 3.176 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254877 1380429463 /nfs/dbraw/zinc/42/94/63/1380429463.db2.gz HMSJREJIWYYMKQ-ZWKOTPCHSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccccc1C)[NH+](C)C ZINC001155289739 1380433987 /nfs/dbraw/zinc/43/39/87/1380433987.db2.gz WONCADLXLVGUBP-QUCCMNQESA-N 2 0 347.547 3.094 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C)C(C)C ZINC001155883848 1380502541 /nfs/dbraw/zinc/50/25/41/1380502541.db2.gz MHFAMDRJZDCRPY-QZTJIDSGSA-N 2 0 325.541 3.146 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001155997491 1380511912 /nfs/dbraw/zinc/51/19/12/1380511912.db2.gz CXLDOQHYHXUCAQ-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP CNc1ccc(CNc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC001156142085 1380530876 /nfs/dbraw/zinc/53/08/76/1380530876.db2.gz KALQCOWHGBVSMD-UHFFFAOYSA-N 2 0 326.444 3.208 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cncc(Br)c2)C1 ZINC001328083713 1388665812 /nfs/dbraw/zinc/66/58/12/1388665812.db2.gz DYOXMQFUUSSXQB-STQMWFEESA-N 2 0 326.282 3.227 20 0 EGADRP CC[N@H+](CCc1ccc(C)cc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475904 1380581043 /nfs/dbraw/zinc/58/10/43/1380581043.db2.gz XHVGULHKUVNHNL-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC/C=C/c1ccccc1 ZINC001156529497 1380588743 /nfs/dbraw/zinc/58/87/43/1380588743.db2.gz BQBAJFAVCYLTCQ-NRJHKNTJSA-N 2 0 345.531 3.258 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)CC1(C)C ZINC001328102519 1388674306 /nfs/dbraw/zinc/67/43/06/1388674306.db2.gz NNRGFWBMEUTCBE-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961477 1380738590 /nfs/dbraw/zinc/73/85/90/1380738590.db2.gz TYNFUEVUGRUUEG-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118964 1380779676 /nfs/dbraw/zinc/77/96/76/1380779676.db2.gz QGMLSMPCLVZKNK-FAPWYTRCSA-N 2 0 337.552 3.290 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118923 1380779765 /nfs/dbraw/zinc/77/97/65/1380779765.db2.gz OYNGLHMCDKEDAF-UYAOXDASSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114385 1380780449 /nfs/dbraw/zinc/78/04/49/1380780449.db2.gz WWPWQEOYVGYPAC-QGZVFWFLSA-N 2 0 339.568 3.370 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158434406 1381244553 /nfs/dbraw/zinc/24/45/53/1381244553.db2.gz KGWDPUGKPLJRQC-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158450249 1381248991 /nfs/dbraw/zinc/24/89/91/1381248991.db2.gz PGBXHQIGTVRVFV-AZUAARDMSA-N 2 0 345.531 3.321 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158474275 1381257976 /nfs/dbraw/zinc/25/79/76/1381257976.db2.gz VYMCKZSAESTZRL-PKOBYXMFSA-N 2 0 337.552 3.220 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001158625335 1381328856 /nfs/dbraw/zinc/32/88/56/1381328856.db2.gz ODSUDSURBVUDEG-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CC2)CC1 ZINC001158680737 1381350043 /nfs/dbraw/zinc/35/00/43/1381350043.db2.gz ZEYSSYXEQNNZIX-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768164 1381389441 /nfs/dbraw/zinc/38/94/41/1381389441.db2.gz LUUWIBPMMIYWMI-GOSISDBHSA-N 2 0 325.541 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@@H](C)CC(C)C ZINC001158786853 1381399471 /nfs/dbraw/zinc/39/94/71/1381399471.db2.gz IJUNLLHBIIWTAO-RBUKOAKNSA-N 2 0 339.568 3.323 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)cn2)CC1 ZINC001159131707 1381639872 /nfs/dbraw/zinc/63/98/72/1381639872.db2.gz VBGZUEMBMQZYHK-LJQANCHMSA-N 2 0 337.471 3.002 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001159161836 1381685198 /nfs/dbraw/zinc/68/51/98/1381685198.db2.gz IXQQBXAISAYTDH-UHFFFAOYSA-N 2 0 337.533 3.100 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159170813 1381707220 /nfs/dbraw/zinc/70/72/20/1381707220.db2.gz OQGMKOMVNGJXFS-UHFFFAOYSA-N 2 0 325.522 3.100 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cccnc1OCC1CC[NH2+]CC1 ZINC001159290438 1381753181 /nfs/dbraw/zinc/75/31/81/1381753181.db2.gz UBBXUJCRPSWOPH-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)cc1 ZINC001159537599 1381820600 /nfs/dbraw/zinc/82/06/00/1381820600.db2.gz IYESVFZSEIVAAT-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001159786641 1381900628 /nfs/dbraw/zinc/90/06/28/1381900628.db2.gz GGZMJZWKBORVFI-ZDUSSCGKSA-N 2 0 347.875 3.447 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1cnc(Cl)nc1Oc1cccc(Cl)c1 ZINC001159789322 1381901159 /nfs/dbraw/zinc/90/11/59/1381901159.db2.gz SHYDJENDNTXPMB-GFCCVEGCSA-N 2 0 342.230 3.011 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159917471 1381936678 /nfs/dbraw/zinc/93/66/78/1381936678.db2.gz XAUTXTHVZNTMDR-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1F ZINC001159920945 1381937218 /nfs/dbraw/zinc/93/72/18/1381937218.db2.gz WAWXVKOVJBTKBZ-QGZVFWFLSA-N 2 0 329.419 3.372 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)cc1 ZINC001160053399 1381982284 /nfs/dbraw/zinc/98/22/84/1381982284.db2.gz WTLAFJWYBZQCOS-UHFFFAOYSA-N 2 0 328.435 3.173 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cccc(F)c2N2CC[NH2+]CC2)c1F ZINC001160115586 1382001520 /nfs/dbraw/zinc/00/15/20/1382001520.db2.gz GEIOSBUKNYXLLP-UHFFFAOYSA-N 2 0 346.425 3.180 20 0 EGADRP c1ccc(O[C@@H]2CC[NH2+]C2)c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001160166380 1382023594 /nfs/dbraw/zinc/02/35/94/1382023594.db2.gz AVPUUSVXDVAZTE-ZWKOTPCHSA-N 2 0 327.472 3.371 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001160167975 1382023662 /nfs/dbraw/zinc/02/36/62/1382023662.db2.gz XIVZFAHDIQWWGB-GOSISDBHSA-N 2 0 341.455 3.111 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001160274454 1382058352 /nfs/dbraw/zinc/05/83/52/1382058352.db2.gz SMFBSNULEVFCNA-RTBURBONSA-N 2 0 331.504 3.108 20 0 EGADRP c1ccc(C[N@H+]2CC=C(Nc3cccc4c3[C@H]3C[NH2+]C[C@H]3O4)CC2)cc1 ZINC001160397364 1382093364 /nfs/dbraw/zinc/09/33/64/1382093364.db2.gz XTPPXDGBFHMLEE-GHTZIAJQSA-N 2 0 347.462 3.336 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160400721 1382093945 /nfs/dbraw/zinc/09/39/45/1382093945.db2.gz WLPOSYCAMQEXCF-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001160432657 1382102370 /nfs/dbraw/zinc/10/23/70/1382102370.db2.gz ABXFXGABAKJXRR-PBHICJAKSA-N 2 0 339.911 3.083 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160500714 1382125665 /nfs/dbraw/zinc/12/56/65/1382125665.db2.gz QZLGAYHEOTUAGB-UYAOXDASSA-N 2 0 349.563 3.291 20 0 EGADRP [NH3+]CCc1cn(-c2nccc(Oc3ccc(F)cc3)n2)c2cc[nH+]cc12 ZINC001160952383 1382249428 /nfs/dbraw/zinc/24/94/28/1382249428.db2.gz YCNNFNRWAWSOGT-UHFFFAOYSA-N 2 0 349.369 3.248 20 0 EGADRP CC[C@@H](C)c1nc2[nH]ccc2c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160952307 1382249481 /nfs/dbraw/zinc/24/94/81/1382249481.db2.gz TWYZTZWUUSMQSS-GFCCVEGCSA-N 2 0 334.427 3.312 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161020580 1382274360 /nfs/dbraw/zinc/27/43/60/1382274360.db2.gz GAGNIJMSUUTIBF-UHFFFAOYSA-N 2 0 347.503 3.139 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)c3cccc(C[NH3+])c3)CC2)CC1 ZINC001161048500 1382283208 /nfs/dbraw/zinc/28/32/08/1382283208.db2.gz XIYFACUTOZSDKX-UHFFFAOYSA-N 2 0 343.515 3.120 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161084507 1382293860 /nfs/dbraw/zinc/29/38/60/1382293860.db2.gz NUXCKFHRFFLJDH-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP CCC(CC)[NH+]1CCC(Nc2nccc(C3CC[NH2+]CC3)n2)CC1 ZINC001161099029 1382295655 /nfs/dbraw/zinc/29/56/55/1382295655.db2.gz TWQDTWXYBDGKIO-UHFFFAOYSA-N 2 0 331.508 3.009 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001161133793 1382313518 /nfs/dbraw/zinc/31/35/18/1382313518.db2.gz QVXUFVVEEIWAQD-GOSISDBHSA-N 2 0 337.552 3.147 20 0 EGADRP Cc1cnc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c(C[NH3+])c1 ZINC001161180812 1382328960 /nfs/dbraw/zinc/32/89/60/1382328960.db2.gz HOWGNYJYUHINGI-KRWDZBQOSA-N 2 0 330.863 3.189 20 0 EGADRP Cc1nc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)cc(N(C)C)[nH+]1 ZINC001161183238 1382330644 /nfs/dbraw/zinc/33/06/44/1382330644.db2.gz SDVSEVGOEKIVMR-INIZCTEOSA-N 2 0 345.878 3.191 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219747 1382346371 /nfs/dbraw/zinc/34/63/71/1382346371.db2.gz NUOCFZDKFUKNAL-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001161524531 1382430547 /nfs/dbraw/zinc/43/05/47/1382430547.db2.gz KISKRMUHTKXCMQ-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+][C@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001161564071 1382440102 /nfs/dbraw/zinc/44/01/02/1382440102.db2.gz RBJSZLLRACAPLI-OAHLLOKOSA-N 2 0 336.439 3.113 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]CC2CCC(C)CC2)ccc2c[nH+]cn21 ZINC001161564044 1382440128 /nfs/dbraw/zinc/44/01/28/1382440128.db2.gz QCWRCNZTWIHFLV-UHFFFAOYSA-N 2 0 342.487 3.179 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622316 1382462709 /nfs/dbraw/zinc/46/27/09/1382462709.db2.gz LRQGZMUBRKVEBE-GOSISDBHSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001161643972 1382468231 /nfs/dbraw/zinc/46/82/31/1382468231.db2.gz GEVCJYJDLBDJBD-APWZRJJASA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001161645164 1382468306 /nfs/dbraw/zinc/46/83/06/1382468306.db2.gz ZQUKWIOBELKCPD-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(Br)cc1NCC[NH+](C)C ZINC001161672945 1382476486 /nfs/dbraw/zinc/47/64/86/1382476486.db2.gz POWQKSZVNQVQQM-UHFFFAOYSA-N 2 0 328.298 3.264 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161733972 1382491585 /nfs/dbraw/zinc/49/15/85/1382491585.db2.gz QEVDJPPBERYKLR-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001162456887 1382762052 /nfs/dbraw/zinc/76/20/52/1382762052.db2.gz LGQHPDDVOMUCRH-SJLPKXTDSA-N 2 0 327.516 3.302 20 0 EGADRP F[C@@]1(CNc2cccc3c2C2(C=C3)CC[NH2+]CC2)CCCC[NH2+]C1 ZINC001162579460 1382797043 /nfs/dbraw/zinc/79/70/43/1382797043.db2.gz CLTZVZDBFLLTFZ-FQEVSTJZSA-N 2 0 329.463 3.228 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001163274711 1383010488 /nfs/dbraw/zinc/01/04/88/1383010488.db2.gz DGJHPSXNDYWSDH-GOSISDBHSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163274617 1383010624 /nfs/dbraw/zinc/01/06/24/1383010624.db2.gz ACEDCYHEXCBKFI-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1c(C)n(-c2ccc(CN3CC[NH2+]CC3)cc2)c2ccc(C[NH3+])cc12 ZINC001163761908 1383118989 /nfs/dbraw/zinc/11/89/89/1383118989.db2.gz YVIYYZGCPHGQIX-UHFFFAOYSA-N 2 0 348.494 3.111 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC001163851588 1383129400 /nfs/dbraw/zinc/12/94/00/1383129400.db2.gz OQPQMNIEQGTFPW-LJQANCHMSA-N 2 0 343.515 3.034 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H](F)C(F)(F)C3)c2)CC1 ZINC001164064417 1383152054 /nfs/dbraw/zinc/15/20/54/1383152054.db2.gz XKSXNGKRYXGAAS-OAHLLOKOSA-N 2 0 343.393 3.128 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001164456581 1383188751 /nfs/dbraw/zinc/18/87/51/1383188751.db2.gz VOEKVCWFKFDJDR-IRXDYDNUSA-N 2 0 349.494 3.105 20 0 EGADRP Nc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]cc1F ZINC001164486145 1383191752 /nfs/dbraw/zinc/19/17/52/1383191752.db2.gz LCWCRLAYSDDSSF-RLFYNMQTSA-N 2 0 326.419 3.125 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC(F)(F)C[C@]3(C)CF)c2)CC1 ZINC001164568180 1383199732 /nfs/dbraw/zinc/19/97/32/1383199732.db2.gz QOOCAODASPPBRT-MRXNPFEDSA-N 2 0 343.393 3.128 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1cc(F)ccc1O[C@H]1CC[NH2+]C1 ZINC001165213563 1383249770 /nfs/dbraw/zinc/24/97/70/1383249770.db2.gz SUFBPIVHHIVZBV-INIZCTEOSA-N 2 0 329.419 3.372 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165316328 1383271883 /nfs/dbraw/zinc/27/18/83/1383271883.db2.gz YAAYOYRDUQAQTI-KRWDZBQOSA-N 2 0 343.531 3.123 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165472095 1383300000 /nfs/dbraw/zinc/30/00/00/1383300000.db2.gz GWXYYTMMILOWCU-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1)C1CC1 ZINC001165485303 1383301598 /nfs/dbraw/zinc/30/15/98/1383301598.db2.gz RHIOXRZKDRAFGO-IBGZPJMESA-N 2 0 347.547 3.093 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165728374 1383333994 /nfs/dbraw/zinc/33/39/94/1383333994.db2.gz QJJGJALIYQUEHA-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165737247 1383335605 /nfs/dbraw/zinc/33/56/05/1383335605.db2.gz QTHVSQSTCHLADW-MOPGFXCFSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165926891 1383366136 /nfs/dbraw/zinc/36/61/36/1383366136.db2.gz IQVFMQMZYNTKIJ-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)c1cccc2nccn21 ZINC001166138974 1383394345 /nfs/dbraw/zinc/39/43/45/1383394345.db2.gz VZAXNUCJVNLINC-UHFFFAOYSA-N 2 0 340.471 3.014 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166403933 1383419142 /nfs/dbraw/zinc/41/91/42/1383419142.db2.gz QUDREQWDNLYGQQ-UHFFFAOYSA-N 2 0 335.536 3.093 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)s1)[NH+](CC)CC ZINC001166424023 1383421194 /nfs/dbraw/zinc/42/11/94/1383421194.db2.gz BQGAMWRMEATNEE-CQSZACIVSA-N 2 0 345.940 3.118 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166544758 1383436482 /nfs/dbraw/zinc/43/64/82/1383436482.db2.gz HZWXPZKLSTYSIM-SREVYHEPSA-N 2 0 349.563 3.483 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001166764458 1383473834 /nfs/dbraw/zinc/47/38/34/1383473834.db2.gz FEXPXOYINVZGQG-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001166802879 1383479668 /nfs/dbraw/zinc/47/96/68/1383479668.db2.gz NLFBJCPHECXGIU-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001166852141 1383487946 /nfs/dbraw/zinc/48/79/46/1383487946.db2.gz MPCHOVVYTPKKJD-UZLBHIALSA-N 2 0 341.499 3.337 20 0 EGADRP C[NH+](C)[C@@H]1CCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167322037 1383597296 /nfs/dbraw/zinc/59/72/96/1383597296.db2.gz PBCDORVKTDLXCE-JOCHJYFZSA-N 2 0 343.559 3.357 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)CC1 ZINC001167391049 1383620910 /nfs/dbraw/zinc/62/09/10/1383620910.db2.gz BDFGYXSRLXXRAM-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167426282 1383631281 /nfs/dbraw/zinc/63/12/81/1383631281.db2.gz QJZHUKSBYATAKN-INIZCTEOSA-N 2 0 346.519 3.045 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCCCC1 ZINC001167608750 1383688262 /nfs/dbraw/zinc/68/82/62/1383688262.db2.gz HYZOLRRWDCFHIT-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001167636587 1383694868 /nfs/dbraw/zinc/69/48/68/1383694868.db2.gz VSVTXPLCCJHCGO-QFBILLFUSA-N 2 0 349.494 3.246 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001167737425 1383726047 /nfs/dbraw/zinc/72/60/47/1383726047.db2.gz SSDKWAIXRVDVTL-LJQANCHMSA-N 2 0 349.563 3.175 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ncncc2C)C1 ZINC001167833892 1383752830 /nfs/dbraw/zinc/75/28/30/1383752830.db2.gz FLLFQAHLWJTNRK-QZTJIDSGSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001167835635 1383753825 /nfs/dbraw/zinc/75/38/25/1383753825.db2.gz SDWRVVDNMXIPFB-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001167835678 1383754233 /nfs/dbraw/zinc/75/42/33/1383754233.db2.gz SJVNBJWEVBBELT-SFHVURJKSA-N 2 0 332.536 3.459 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2ccc(OC)cn2)CC1 ZINC001167836399 1383754971 /nfs/dbraw/zinc/75/49/71/1383754971.db2.gz ZIEMPZAJHHDUNU-KRWDZBQOSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2C)CC1 ZINC001167842788 1383756676 /nfs/dbraw/zinc/75/66/76/1383756676.db2.gz YRFOXLPXQOUYKZ-LJQANCHMSA-N 2 0 345.531 3.263 20 0 EGADRP COC(=O)c1cccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001167919295 1383769900 /nfs/dbraw/zinc/76/99/00/1383769900.db2.gz XPOZYNJPGPDAJG-YCKXBTPASA-N 2 0 342.483 3.344 20 0 EGADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001167975225 1383783932 /nfs/dbraw/zinc/78/39/32/1383783932.db2.gz MQKKALPMZISHGF-GAUHOVIDSA-N 2 0 331.548 3.388 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167977842 1383784947 /nfs/dbraw/zinc/78/49/47/1383784947.db2.gz GGGTZHIDHUGZQE-AYHJJNSGSA-N 2 0 343.515 3.363 20 0 EGADRP CC(C)[C@@H]1[NH2+]CCc2ncn(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)c21 ZINC001168004647 1383793994 /nfs/dbraw/zinc/79/39/94/1383793994.db2.gz WUFBBYXTXALCSU-RZRMAFQFSA-N 2 0 328.504 3.304 20 0 EGADRP CC(C)[C@H]1[NH2+]CCc2ncn(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)c21 ZINC001168004651 1383794386 /nfs/dbraw/zinc/79/43/86/1383794386.db2.gz WUFBBYXTXALCSU-SUTQANCOSA-N 2 0 328.504 3.304 20 0 EGADRP Cc1cnc(CC[NH3+])n1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168010970 1383795603 /nfs/dbraw/zinc/79/56/03/1383795603.db2.gz LVGGWMAWFBKPTM-HZPDHXFCSA-N 2 0 326.488 3.307 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030078 1383800455 /nfs/dbraw/zinc/80/04/55/1383800455.db2.gz MOUIJPCYJNNEPU-VQTJNVASSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H]1C[C@@H](NCc2cnn(CCF)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033457 1383801189 /nfs/dbraw/zinc/80/11/89/1383801189.db2.gz KVWXGUJROPWREP-XEMDLRDOSA-N 2 0 344.478 3.384 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2CC[C@H](O)[C@@H](F)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039536 1383801968 /nfs/dbraw/zinc/80/19/68/1383801968.db2.gz GIEUYSONRSOPOG-DLRXZHIHSA-N 2 0 334.479 3.223 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039486 1383802227 /nfs/dbraw/zinc/80/22/27/1383802227.db2.gz FQKPOYAOKJNQEM-PIKOESSRSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@H]1CC(N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064218 1383808404 /nfs/dbraw/zinc/80/84/04/1383808404.db2.gz OYZWTCHJWFLZEE-QGZVKYPTSA-N 2 0 327.516 3.206 20 0 EGADRP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065508 1383808459 /nfs/dbraw/zinc/80/84/59/1383808459.db2.gz XBIHDERHJMHLTD-YZUZWNONSA-N 2 0 327.516 3.064 20 0 EGADRP COC(=O)[C@H]1C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168068047 1383809167 /nfs/dbraw/zinc/80/91/67/1383809167.db2.gz XDKIPFJMQZDXIR-BOSXTWCSSA-N 2 0 344.499 3.169 20 0 EGADRP CC1(C)CCC(C[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001168147536 1383827128 /nfs/dbraw/zinc/82/71/28/1383827128.db2.gz SXELKGIZKXTKQX-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2OC2CCOCC2)CC1 ZINC001168304246 1383868072 /nfs/dbraw/zinc/86/80/72/1383868072.db2.gz QSSQDIMKINJYJU-UHFFFAOYSA-N 2 0 332.488 3.207 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cncn2Cc2ccccc2F)CC1 ZINC001168306184 1383868527 /nfs/dbraw/zinc/86/85/27/1383868527.db2.gz VCTLOKVNYAKFPF-UHFFFAOYSA-N 2 0 330.451 3.033 20 0 EGADRP C[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001168329523 1383873950 /nfs/dbraw/zinc/87/39/50/1383873950.db2.gz WMZNUOJTKSBQML-VXLLPVPCSA-N 2 0 339.524 3.094 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168327146 1383874248 /nfs/dbraw/zinc/87/42/48/1383874248.db2.gz SVNXLIHJNUVLOP-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001168335474 1383876064 /nfs/dbraw/zinc/87/60/64/1383876064.db2.gz KDVWFLQMQGHGOM-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001168434598 1383905061 /nfs/dbraw/zinc/90/50/61/1383905061.db2.gz QAEDPOPIPIVYAP-QGZVFWFLSA-N 2 0 339.483 3.219 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CC1CCCCCC1)C(C)C ZINC001168666741 1383964618 /nfs/dbraw/zinc/96/46/18/1383964618.db2.gz KECAQQYTLOPWFA-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)C(C)C ZINC001168667535 1383964832 /nfs/dbraw/zinc/96/48/32/1383964832.db2.gz WDTXYXIFKDDGAJ-WOJBJXKFSA-N 2 0 345.531 3.136 20 0 EGADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@@H](c4ccc(OC)cc4)C3)C[C@H]2C1 ZINC001168674857 1383967265 /nfs/dbraw/zinc/96/72/65/1383967265.db2.gz ZVILTLRPLGSRBU-ANTGDGSKSA-N 2 0 344.499 3.189 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168806268 1384013477 /nfs/dbraw/zinc/01/34/77/1384013477.db2.gz KTIOMMOYOULHJH-CVEARBPZSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307706893 1384017205 /nfs/dbraw/zinc/01/72/05/1384017205.db2.gz NNEMXSNCMZSISO-NZSAHSFTSA-N 2 0 345.531 3.210 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169107606 1384107821 /nfs/dbraw/zinc/10/78/21/1384107821.db2.gz IGCUCRDVHKXZSS-HWWIXODDSA-N 2 0 339.527 3.397 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122929 1384110672 /nfs/dbraw/zinc/11/06/72/1384110672.db2.gz GGOWZQSDIQEKJP-RQXATKFSSA-N 2 0 327.516 3.112 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169131587 1384110781 /nfs/dbraw/zinc/11/07/81/1384110781.db2.gz WDHUWPMZBDRAMW-BDHVOXNPSA-N 2 0 339.527 3.208 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)CN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC001308248971 1384112943 /nfs/dbraw/zinc/11/29/43/1384112943.db2.gz OVIXHJJXYJKFNW-OALUTQOASA-N 2 0 345.575 3.388 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC[NH+](Cc4ccoc4)C3)CC1)C2 ZINC001169141982 1384113000 /nfs/dbraw/zinc/11/30/00/1384113000.db2.gz YTOOFLMMBQHNKM-ACDBMABISA-N 3 0 343.515 3.193 20 0 EGADRP COc1ccccc1O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141266 1384113027 /nfs/dbraw/zinc/11/30/27/1384113027.db2.gz PHGFWMXEQPTZBO-MHORFTMASA-N 2 0 330.472 3.164 20 0 EGADRP Cn1c2ccccc2nc1C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169146018 1384114512 /nfs/dbraw/zinc/11/45/12/1384114512.db2.gz OFFSPYZPRBDZCD-BCDXTJNWSA-N 2 0 338.499 3.378 20 0 EGADRP C[N@H+](Cc1ccc(F)cc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169152970 1384115568 /nfs/dbraw/zinc/11/55/68/1384115568.db2.gz GVKWWRSRPLWDBG-AERCQKQUSA-N 2 0 345.506 3.347 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001169155943 1384116635 /nfs/dbraw/zinc/11/66/35/1384116635.db2.gz WFRBIZXKKAQHER-FICVDOATSA-N 2 0 335.879 3.203 20 0 EGADRP COC(=O)c1ccc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169163036 1384117650 /nfs/dbraw/zinc/11/76/50/1384117650.db2.gz XCTRTJWDDAIDJX-YDZRNGNQSA-N 2 0 328.456 3.235 20 0 EGADRP Cc1ccc2ncc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n2c1 ZINC001308368619 1384122321 /nfs/dbraw/zinc/12/23/21/1384122321.db2.gz YRACMMCQHOAQGJ-IRXDYDNUSA-N 2 0 326.488 3.385 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001169240468 1384126327 /nfs/dbraw/zinc/12/63/27/1384126327.db2.gz IZOCVGSFNACHDD-UHFFFAOYSA-N 2 0 336.907 3.462 20 0 EGADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001308684235 1384142318 /nfs/dbraw/zinc/14/23/18/1384142318.db2.gz QUZBDYRWINLOJK-IRXDYDNUSA-N 2 0 347.503 3.266 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001169490654 1384154166 /nfs/dbraw/zinc/15/41/66/1384154166.db2.gz UJLQTPQDIIAVRP-QGZVFWFLSA-N 2 0 337.552 3.362 20 0 EGADRP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001308897323 1384157473 /nfs/dbraw/zinc/15/74/73/1384157473.db2.gz JJHSZCBHEAEVJI-BGNPPQISSA-N 2 0 344.499 3.076 20 0 EGADRP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NCC12CC[NH+](CC1)CC2 ZINC001169794814 1384186865 /nfs/dbraw/zinc/18/68/65/1384186865.db2.gz XVSFZKFQOMUVPR-UHFFFAOYSA-N 2 0 330.476 3.272 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169810594 1384188055 /nfs/dbraw/zinc/18/80/55/1384188055.db2.gz RGGZCCQOEDKTNB-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CC[N@H+](C)CC)c1ccc(Cl)cc1 ZINC001170222990 1384268805 /nfs/dbraw/zinc/26/88/05/1384268805.db2.gz PZWAPNYMEGWYBV-KRWDZBQOSA-N 2 0 339.911 3.229 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001170236216 1384272733 /nfs/dbraw/zinc/27/27/33/1384272733.db2.gz CQDJPODBFQSXOJ-UXHICEINSA-N 2 0 339.568 3.074 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001170418762 1384313568 /nfs/dbraw/zinc/31/35/68/1384313568.db2.gz ACELDGUZHZKNOU-SFHVURJKSA-N 2 0 332.488 3.448 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001170752047 1384378676 /nfs/dbraw/zinc/37/86/76/1384378676.db2.gz WTIYSRXNSIJBHV-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001170784025 1384384268 /nfs/dbraw/zinc/38/42/68/1384384268.db2.gz CJHOXCARPIWICI-SFHVURJKSA-N 2 0 325.541 3.317 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001170785966 1384385456 /nfs/dbraw/zinc/38/54/56/1384385456.db2.gz XPJIXYSKJBZRDO-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001170867074 1384401563 /nfs/dbraw/zinc/40/15/63/1384401563.db2.gz BTORIHLOYRWKOE-HXUWFJFHSA-N 2 0 343.515 3.276 20 0 EGADRP CC/C=C\CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170868167 1384401626 /nfs/dbraw/zinc/40/16/26/1384401626.db2.gz PWIXMZVPCZXYNM-RURPWVQCSA-N 2 0 331.504 3.132 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCCC[NH2+]CCc1ccccc1 ZINC001170876725 1384403117 /nfs/dbraw/zinc/40/31/17/1384403117.db2.gz NCAWYSZYOREJTF-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC001170898045 1384407401 /nfs/dbraw/zinc/40/74/01/1384407401.db2.gz BGJNLZZTIKRRBQ-KRWDZBQOSA-N 2 0 346.272 3.456 20 0 EGADRP Cc1sc2ncnc(N[C@H]([NH3+])CCC[NH3+])c2c1-c1ccc(C)cc1 ZINC001170899242 1384408000 /nfs/dbraw/zinc/40/80/00/1384408000.db2.gz YRTYXTNQIDGNDF-AWEZNQCLSA-N 2 0 341.484 3.411 20 0 EGADRP Cc1c(-c2ccccc2)sc2ncnc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001170899099 1384408064 /nfs/dbraw/zinc/40/80/64/1384408064.db2.gz RVJLGIWSKZIKBA-CYBMUJFWSA-N 2 0 327.457 3.102 20 0 EGADRP CCCCOc1c(Br)cc(C)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170906667 1384408430 /nfs/dbraw/zinc/40/84/30/1384408430.db2.gz XIOOOZOCONYWSY-AWEZNQCLSA-N 2 0 344.297 3.372 20 0 EGADRP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)CC2 ZINC001170910319 1384409453 /nfs/dbraw/zinc/40/94/53/1384409453.db2.gz DURNYLOLNQONDY-KZNAEPCWSA-N 2 0 348.918 3.430 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910675 1384409742 /nfs/dbraw/zinc/40/97/42/1384409742.db2.gz MPESMCULUWJPMO-JYJNAYRXSA-N 2 0 334.891 3.168 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171068126 1384440513 /nfs/dbraw/zinc/44/05/13/1384440513.db2.gz CIHRANIHEPKSMG-CQSZACIVSA-N 2 0 325.522 3.096 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171069309 1384440573 /nfs/dbraw/zinc/44/05/73/1384440573.db2.gz OUNAAVHQXIVGHM-AEFFLSMTSA-N 2 0 343.531 3.121 20 0 EGADRP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001171113628 1384448358 /nfs/dbraw/zinc/44/83/58/1384448358.db2.gz UACSJQFVJMATCT-UFYCRDLUSA-N 2 0 348.918 3.430 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001171173438 1384460088 /nfs/dbraw/zinc/46/00/88/1384460088.db2.gz CNYBVDANSILZSO-IRXDYDNUSA-N 2 0 325.541 3.029 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171236576 1384476645 /nfs/dbraw/zinc/47/66/45/1384476645.db2.gz NRVNVUSDARWSJW-QZTJIDSGSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1cc(N2CC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)CC2)cc[nH+]1 ZINC001171383250 1384507806 /nfs/dbraw/zinc/50/78/06/1384507806.db2.gz QLQIPBVCCKCGBK-KRWDZBQOSA-N 2 0 343.421 3.348 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCc1ccc(C)cc1)[NH+](C)C ZINC001171509546 1384546613 /nfs/dbraw/zinc/54/66/13/1384546613.db2.gz RJAQVLSMDMSJLD-AZUAARDMSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)C2 ZINC001171550778 1384559198 /nfs/dbraw/zinc/55/91/98/1384559198.db2.gz LBEZDAKSNGCGFE-OAQYLSRUSA-N 2 0 349.522 3.394 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001171559152 1384562196 /nfs/dbraw/zinc/56/21/96/1384562196.db2.gz WWJDXFWXGBXMKZ-VAMGGRTRSA-N 2 0 328.500 3.085 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC[NH3+])C[C@H]1C(C)(C)C ZINC001171582891 1384571615 /nfs/dbraw/zinc/57/16/15/1384571615.db2.gz URCZZGKEHPGBSE-CABCVRRESA-N 2 0 327.513 3.129 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001171586469 1384572574 /nfs/dbraw/zinc/57/25/74/1384572574.db2.gz OKJSFONKTJHMRV-GOSISDBHSA-N 2 0 347.547 3.490 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171587129 1384572909 /nfs/dbraw/zinc/57/29/09/1384572909.db2.gz YAIDUMSGWIZISI-INIZCTEOSA-N 2 0 331.520 3.121 20 0 EGADRP COC(=O)C12CCC([NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)(CC1)CC2 ZINC001171613040 1384580673 /nfs/dbraw/zinc/58/06/73/1384580673.db2.gz DXHGTNRBWWWOGV-UHFFFAOYSA-N 2 0 336.520 3.493 20 0 EGADRP COc1ccc(OC)c(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171623825 1384582936 /nfs/dbraw/zinc/58/29/36/1384582936.db2.gz HGMMBCBERRURDS-UHFFFAOYSA-N 2 0 334.504 3.487 20 0 EGADRP Cc1c(C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001171630196 1384586116 /nfs/dbraw/zinc/58/61/16/1384586116.db2.gz XSLBKKDPODITMQ-OAHLLOKOSA-N 2 0 330.476 3.177 20 0 EGADRP Cc1ccc(CC[C@@H](C)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC001171662507 1384594863 /nfs/dbraw/zinc/59/48/63/1384594863.db2.gz BSEAZUXUPDOAMQ-AEFFLSMTSA-N 2 0 349.519 3.495 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001171731286 1384617340 /nfs/dbraw/zinc/61/73/40/1384617340.db2.gz ARYHPQOYKUUEHF-HNNXBMFYSA-N 2 0 339.911 3.229 20 0 EGADRP CCCCC[NH+]1CCN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171761332 1384627371 /nfs/dbraw/zinc/62/73/71/1384627371.db2.gz CZAOOPFZELUQDT-PZJWPPBQSA-N 2 0 329.532 3.457 20 0 EGADRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788632 1384637795 /nfs/dbraw/zinc/63/77/95/1384637795.db2.gz TVYSNJSZGZXYHJ-GOSISDBHSA-N 2 0 342.433 3.468 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171806427 1384644145 /nfs/dbraw/zinc/64/41/45/1384644145.db2.gz FHWOZSJYPVWNAA-LJQANCHMSA-N 2 0 347.522 3.033 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171924239 1384683965 /nfs/dbraw/zinc/68/39/65/1384683965.db2.gz MQMMDQDCOJNZBV-HKUYNNGSSA-N 2 0 337.552 3.316 20 0 EGADRP CC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171961647 1384696326 /nfs/dbraw/zinc/69/63/26/1384696326.db2.gz ACWZFWWQUCZCQP-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171963800 1384697024 /nfs/dbraw/zinc/69/70/24/1384697024.db2.gz JJDSJOHSUHFYFR-LJQANCHMSA-N 2 0 338.499 3.360 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171964205 1384697451 /nfs/dbraw/zinc/69/74/51/1384697451.db2.gz LRTCPXRTDRUSBF-ZDUSSCGKSA-N 2 0 344.425 3.092 20 0 EGADRP CC1(C)OC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC001171981755 1384702923 /nfs/dbraw/zinc/70/29/23/1384702923.db2.gz CZSLJLOQHDNPTL-QZTJIDSGSA-N 2 0 332.488 3.171 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001316933695 1384704544 /nfs/dbraw/zinc/70/45/44/1384704544.db2.gz JYEYGGWTAWXJCY-VQIMIIECSA-N 2 0 331.504 3.011 20 0 EGADRP COC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989900 1384707692 /nfs/dbraw/zinc/70/76/92/1384707692.db2.gz ITWIEILVLMHKQI-RXVVDRJESA-N 2 0 344.499 3.315 20 0 EGADRP CC[N@@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H]1C ZINC001171990752 1384707928 /nfs/dbraw/zinc/70/79/28/1384707928.db2.gz NZGQNLDXYSNCBG-QUCCMNQESA-N 2 0 329.532 3.456 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CN4CCC2CC4)C3)cc1 ZINC001172060493 1384713890 /nfs/dbraw/zinc/71/38/90/1384713890.db2.gz ASNCAELJHBUSSU-KJJMTIBFSA-N 2 0 339.527 3.256 20 0 EGADRP CN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061591 1384714684 /nfs/dbraw/zinc/71/46/84/1384714684.db2.gz HQBBWLOAWFJWQN-MXEMCNAFSA-N 2 0 327.516 3.256 20 0 EGADRP O=c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH]1 ZINC001172066582 1384716789 /nfs/dbraw/zinc/71/67/89/1384716789.db2.gz ZZAGWHZOMGSBSQ-ACDBMABISA-N 2 0 337.467 3.463 20 0 EGADRP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172071974 1384718297 /nfs/dbraw/zinc/71/82/97/1384718297.db2.gz JWEMVAFVNZKJNQ-XCZFOBESSA-N 2 0 343.515 3.062 20 0 EGADRP O[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069137 1384718846 /nfs/dbraw/zinc/71/88/46/1384718846.db2.gz GSFJRJIDWAGHSP-WARAAXDBSA-N 2 0 328.500 3.465 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172113698 1384731284 /nfs/dbraw/zinc/73/12/84/1384731284.db2.gz JBAGHDCQAHPABF-XSDIEEQYSA-N 2 0 327.516 3.174 20 0 EGADRP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC001172119407 1384733157 /nfs/dbraw/zinc/73/31/57/1384733157.db2.gz VBDHNDHCTICJPB-WRJHFWDFSA-N 2 0 343.515 3.252 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001172127108 1384736156 /nfs/dbraw/zinc/73/61/56/1384736156.db2.gz GXQSPBNAIFUHPK-AANPDWTMSA-N 2 0 339.527 3.208 20 0 EGADRP CC(C)c1noc([C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)n1 ZINC001172129324 1384737549 /nfs/dbraw/zinc/73/75/49/1384737549.db2.gz YGTRIHZCAQKTDB-WCXIOVBPSA-N 2 0 332.492 3.388 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001316994492 1384751127 /nfs/dbraw/zinc/75/11/27/1384751127.db2.gz JGONYQJIDANXJF-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)OCC[C@H](C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172446998 1384792983 /nfs/dbraw/zinc/79/29/83/1384792983.db2.gz ORFIQYCTABADNC-DLBZAZTESA-N 2 0 326.525 3.202 20 0 EGADRP CC(C)OCC[C@@H](C)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001172445824 1384793287 /nfs/dbraw/zinc/79/32/87/1384793287.db2.gz UNFSVOQOCHHDJH-FKSKYRLFSA-N 2 0 338.476 3.326 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172599829 1384817040 /nfs/dbraw/zinc/81/70/40/1384817040.db2.gz XJSQIDLFVXCQLE-ZWKOTPCHSA-N 2 0 336.520 3.353 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001172601997 1384817277 /nfs/dbraw/zinc/81/72/77/1384817277.db2.gz MKVHESABUOPXEB-IEBWSBKVSA-N 2 0 336.520 3.353 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001172769104 1384847302 /nfs/dbraw/zinc/84/73/02/1384847302.db2.gz AHGTWEKBQIXNBO-MOPGFXCFSA-N 2 0 332.488 3.002 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001172795826 1384853802 /nfs/dbraw/zinc/85/38/02/1384853802.db2.gz CEHNOVGMBAZADC-ROUUACIJSA-N 2 0 336.520 3.353 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172818521 1384858179 /nfs/dbraw/zinc/85/81/79/1384858179.db2.gz QXZVPLOJIFXMMN-JWTNVVGKSA-N 2 0 349.519 3.111 20 0 EGADRP [NH3+]CCCOCCOCCC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818759 1384858403 /nfs/dbraw/zinc/85/84/03/1384858403.db2.gz RIWUFKZVBZYLAJ-UHFFFAOYSA-N 2 0 348.531 3.150 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001335838811 1388948807 /nfs/dbraw/zinc/94/88/07/1388948807.db2.gz GDQAQZJYXMNMIL-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001172942617 1384884788 /nfs/dbraw/zinc/88/47/88/1384884788.db2.gz AEPAYLSXPRMMHW-MRXNPFEDSA-N 2 0 349.519 3.483 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001172957156 1384889705 /nfs/dbraw/zinc/88/97/05/1384889705.db2.gz FEXAECHDDLPWKG-INIZCTEOSA-N 2 0 341.540 3.344 20 0 EGADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001173086245 1384910798 /nfs/dbraw/zinc/91/07/98/1384910798.db2.gz SOIBHCQTEBBPDJ-CWRNSKLLSA-N 2 0 342.405 3.400 20 0 EGADRP CCCOC1CCC([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC001173093972 1384913100 /nfs/dbraw/zinc/91/31/00/1384913100.db2.gz PREJEKWGIXXONO-UHFFFAOYSA-N 2 0 338.536 3.205 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(OC3CCC3)ncn2)CC1 ZINC001173105746 1384915587 /nfs/dbraw/zinc/91/55/87/1384915587.db2.gz DDIIKYOSMWKJIY-UHFFFAOYSA-N 2 0 332.492 3.151 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cc(C(=O)OC)ccc3C2)CC1 ZINC001173110801 1384916693 /nfs/dbraw/zinc/91/66/93/1384916693.db2.gz YGMZISPCBHAADF-UHFFFAOYSA-N 2 0 344.499 3.484 20 0 EGADRP C[C@@]12CC3([NH3+])CC([NH2+][C@H]4CCc5ncsc5C4)(C1)C[C@](C)(C3)C2 ZINC001173133506 1384920601 /nfs/dbraw/zinc/92/06/01/1384920601.db2.gz UYCXXHPGGUZTEH-ROKBNZNASA-N 2 0 331.529 3.420 20 0 EGADRP COc1cccc2c1C[C@H]([N@@H+](Cc1ccccc1)C[C@H](C)C[NH3+])CO2 ZINC001173165042 1384928260 /nfs/dbraw/zinc/92/82/60/1384928260.db2.gz RKENTQJKHZTMAP-AEFFLSMTSA-N 2 0 340.467 3.096 20 0 EGADRP CC[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001173276558 1384948662 /nfs/dbraw/zinc/94/86/62/1384948662.db2.gz IWRUSIMZVUTQPZ-MJGOQNOKSA-N 2 0 330.520 3.429 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH2+]Cc1ccc(C[NH+](C)C)cc1)CC2 ZINC001173598961 1384985443 /nfs/dbraw/zinc/98/54/43/1384985443.db2.gz HXZXKVXIOYZUIV-OBXNSHGQSA-N 2 0 344.499 3.350 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173619400 1384990041 /nfs/dbraw/zinc/99/00/41/1384990041.db2.gz ARSBBXCXTBEQDA-AABGKKOBSA-N 2 0 344.499 3.220 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001317217238 1384997134 /nfs/dbraw/zinc/99/71/34/1384997134.db2.gz OHCAMNYQIDEEBV-WWDZGPRUSA-N 2 0 337.552 3.170 20 0 EGADRP CCCC[NH+]1CCC(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173663365 1384999063 /nfs/dbraw/zinc/99/90/63/1384999063.db2.gz DKZXNTHFCAKFRB-UHFFFAOYSA-N 2 0 335.458 3.115 20 0 EGADRP CCc1ccccc1C[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001317220170 1385000463 /nfs/dbraw/zinc/00/04/63/1385000463.db2.gz LBSWDIAMEHHJMY-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@@H]1CC([NH2+]CCOc2ccncc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173680101 1385002220 /nfs/dbraw/zinc/00/22/20/1385002220.db2.gz NHABQCPXUXZSQT-HUUCEWRRSA-N 2 0 349.475 3.227 20 0 EGADRP C[C@@H](c1cccc2ccccc21)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317443195 1385144790 /nfs/dbraw/zinc/14/47/90/1385144790.db2.gz NASGUYNYBATUOA-JXFKEZNVSA-N 2 0 339.483 3.043 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001174880852 1385164118 /nfs/dbraw/zinc/16/41/18/1385164118.db2.gz IHJPOSULIRMILN-MJGOQNOKSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)C1 ZINC001174881940 1385164471 /nfs/dbraw/zinc/16/44/71/1385164471.db2.gz MTAPYEWUZWBZDU-OALUTQOASA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174882885 1385164822 /nfs/dbraw/zinc/16/48/22/1385164822.db2.gz XOZDGRMVFMUBPT-MJGOQNOKSA-N 2 0 337.552 3.457 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905850 1385168213 /nfs/dbraw/zinc/16/82/13/1385168213.db2.gz OOBNGZFDYIJWGW-AOIWGVFYSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928042 1385170884 /nfs/dbraw/zinc/17/08/84/1385170884.db2.gz IYYXWLGUTMVEES-MRXNPFEDSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174929610 1385171203 /nfs/dbraw/zinc/17/12/03/1385171203.db2.gz QXYHYXWHLFFGEW-MRXNPFEDSA-N 2 0 335.492 3.186 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042966 1385185872 /nfs/dbraw/zinc/18/58/72/1385185872.db2.gz YHUPCORLJKAIKP-IPLHWJFFSA-N 2 0 337.552 3.339 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175048049 1385186180 /nfs/dbraw/zinc/18/61/80/1385186180.db2.gz FQBBRTGIXJWDNT-QZTJIDSGSA-N 2 0 339.568 3.275 20 0 EGADRP C[C@@H](CCCC[NH2+]CC/C=C\c1ccccc1)NC(=O)CC[NH+](C)C ZINC001175049249 1385186588 /nfs/dbraw/zinc/18/65/88/1385186588.db2.gz RBXVXWDFJODJCI-HTJTXACHSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CCC1CCCC1 ZINC001317489573 1385189304 /nfs/dbraw/zinc/18/93/04/1385189304.db2.gz LKRSOMKLUHFVSE-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175107802 1385195954 /nfs/dbraw/zinc/19/59/54/1385195954.db2.gz QAMHLDHMGNRPIB-RKQNLGICSA-N 2 0 325.541 3.194 20 0 EGADRP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257180 1385231499 /nfs/dbraw/zinc/23/14/99/1385231499.db2.gz WCUAOUSCFQENIN-QZTJIDSGSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262574 1385233539 /nfs/dbraw/zinc/23/35/39/1385233539.db2.gz HQYCDLICEIWEDN-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1C)[NH+](C)C ZINC001175315376 1385250294 /nfs/dbraw/zinc/25/02/94/1385250294.db2.gz FJSRFPJJMLGFGT-QUCCMNQESA-N 2 0 347.547 3.408 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001175317143 1385250987 /nfs/dbraw/zinc/25/09/87/1385250987.db2.gz LQBQHNGZCIKAHU-YOEHRIQHSA-N 2 0 339.549 3.161 20 0 EGADRP COc1ccc(C[C@H](C)[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001335950108 1388974010 /nfs/dbraw/zinc/97/40/10/1388974010.db2.gz PIFWTQSYGURLMM-AWEZNQCLSA-N 2 0 330.497 3.465 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC001317541726 1385279931 /nfs/dbraw/zinc/27/99/31/1385279931.db2.gz ZWJJXLIDXKEAMI-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175731096 1385388816 /nfs/dbraw/zinc/38/88/16/1385388816.db2.gz RYOWLUSTANZACT-KRWDZBQOSA-N 2 0 333.520 3.427 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001175786123 1385405650 /nfs/dbraw/zinc/40/56/50/1385405650.db2.gz GNKJPEPTNOFSDC-JKSUJKDBSA-N 2 0 347.494 3.028 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176024808 1385464264 /nfs/dbraw/zinc/46/42/64/1385464264.db2.gz SFIMHAKBCZWDED-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001176057713 1385473969 /nfs/dbraw/zinc/47/39/69/1385473969.db2.gz RRTLWNULGOCEGD-WMZOPIPTSA-N 2 0 345.531 3.093 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176110711 1385486306 /nfs/dbraw/zinc/48/63/06/1385486306.db2.gz BZPMBHAHZJOJOP-SFHVURJKSA-N 2 0 349.563 3.339 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176111091 1385487048 /nfs/dbraw/zinc/48/70/48/1385487048.db2.gz FWGJCXDKQHERRE-PXNSSMCTSA-N 2 0 333.520 3.136 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164351 1385499815 /nfs/dbraw/zinc/49/98/15/1385499815.db2.gz BCSAWRKJBYLSAU-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001176230272 1385521097 /nfs/dbraw/zinc/52/10/97/1385521097.db2.gz FRBWTGSDTQZMQS-LJQANCHMSA-N 2 0 347.547 3.492 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CCCC[NH+](C)C ZINC001176231240 1385521853 /nfs/dbraw/zinc/52/18/53/1385521853.db2.gz RBIXBCAHGVTDFS-OAHLLOKOSA-N 2 0 347.494 3.028 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176285770 1385539390 /nfs/dbraw/zinc/53/93/90/1385539390.db2.gz RBYLWQYRRJZGEF-MSOLQXFVSA-N 2 0 333.520 3.354 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)c1ccccc1F ZINC001176327401 1385553417 /nfs/dbraw/zinc/55/34/17/1385553417.db2.gz HCFVDVYXBVTHJV-KRWDZBQOSA-N 2 0 349.494 3.249 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317936630 1385576647 /nfs/dbraw/zinc/57/66/47/1385576647.db2.gz ORTDDILCSBIQPR-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317977848 1385596380 /nfs/dbraw/zinc/59/63/80/1385596380.db2.gz ORTDDILCSBIQPR-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)n1ccnc1 ZINC001318028350 1385611132 /nfs/dbraw/zinc/61/11/32/1385611132.db2.gz SUXDZNMLAFAEGS-MRXNPFEDSA-N 2 0 326.444 3.459 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001176564340 1385626079 /nfs/dbraw/zinc/62/60/79/1385626079.db2.gz OJMBRUVQECVOTO-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728618 1385674318 /nfs/dbraw/zinc/67/43/18/1385674318.db2.gz MRHXLGSXUJJOJW-PHWHVTFISA-N 2 0 337.552 3.483 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746787 1385680497 /nfs/dbraw/zinc/68/04/97/1385680497.db2.gz MSWAQRDGNXAMOC-QGZVFWFLSA-N 2 0 333.520 3.427 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746758 1385680780 /nfs/dbraw/zinc/68/07/80/1385680780.db2.gz LUEBBBJWUWUHTD-KRWDZBQOSA-N 2 0 333.520 3.282 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001176747188 1385681306 /nfs/dbraw/zinc/68/13/06/1385681306.db2.gz UXULSYWJFNHNNL-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001176752924 1385683471 /nfs/dbraw/zinc/68/34/71/1385683471.db2.gz BENPGYBELMVPRM-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176760231 1385686939 /nfs/dbraw/zinc/68/69/39/1385686939.db2.gz RSVHRUZFPFWMOU-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001176934199 1385747714 /nfs/dbraw/zinc/74/77/14/1385747714.db2.gz RLSXNRKXEVKWTQ-XGICHPGQSA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCCC1CCC1)[NH+]1CCCCC1 ZINC001176997515 1385768588 /nfs/dbraw/zinc/76/85/88/1385768588.db2.gz PIHXODOPYUEMQF-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177267634 1385890517 /nfs/dbraw/zinc/89/05/17/1385890517.db2.gz UQIVSIQOWASGCN-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001177317350 1385912439 /nfs/dbraw/zinc/91/24/39/1385912439.db2.gz UXBWTNDJEHFMDC-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH2+]Cc1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001318999124 1385917622 /nfs/dbraw/zinc/91/76/22/1385917622.db2.gz PFWQTJIZASWEEW-UHFFFAOYSA-N 2 0 331.504 3.067 20 0 EGADRP O=C(NCCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001319021017 1385931255 /nfs/dbraw/zinc/93/12/55/1385931255.db2.gz QVNCCWJJSJOPMC-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001177394230 1385940945 /nfs/dbraw/zinc/94/09/45/1385940945.db2.gz CRRYAZHITYOJRF-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+](C)C ZINC001177406227 1385945596 /nfs/dbraw/zinc/94/55/96/1385945596.db2.gz SNUAXPNTZFBFOS-UHFFFAOYSA-N 2 0 325.541 3.127 20 0 EGADRP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)[NH+](C)C ZINC001177416280 1385949613 /nfs/dbraw/zinc/94/96/13/1385949613.db2.gz YXVSQRSPCMFJLE-HKUYNNGSSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177480903 1385972615 /nfs/dbraw/zinc/97/26/15/1385972615.db2.gz FQPVOXPKAVDCBF-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001177485018 1385974482 /nfs/dbraw/zinc/97/44/82/1385974482.db2.gz OPKBWAVLNGZIEJ-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001177488756 1385976007 /nfs/dbraw/zinc/97/60/07/1385976007.db2.gz KYLGOUIYWJQAEZ-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[C@@H](C[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001177724767 1386028684 /nfs/dbraw/zinc/02/86/84/1386028684.db2.gz LCPLVERRHORYSI-FPOVZHCZSA-N 2 0 331.548 3.434 20 0 EGADRP COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319288994 1386045718 /nfs/dbraw/zinc/04/57/18/1386045718.db2.gz GKQOTTBDQYFROC-QGZVFWFLSA-N 2 0 339.483 3.298 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001319363280 1386080735 /nfs/dbraw/zinc/08/07/35/1386080735.db2.gz WDIMXSVFHOIOMY-GOSISDBHSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H]([NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1)c1ccccc1 ZINC001319374074 1386088174 /nfs/dbraw/zinc/08/81/74/1386088174.db2.gz CRFOZHWMXFYFTM-OALUTQOASA-N 2 0 345.531 3.497 20 0 EGADRP CC1CCC(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001178045089 1386114830 /nfs/dbraw/zinc/11/48/30/1386114830.db2.gz CITNKEGXMRAUJM-CTWPCTMYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178490018 1386233283 /nfs/dbraw/zinc/23/32/83/1386233283.db2.gz HMRIXPNCPGQBDP-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502439 1386237364 /nfs/dbraw/zinc/23/73/64/1386237364.db2.gz QPXSAXULNMLDAU-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP OC[C@H](CC1CCCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001178571136 1386251936 /nfs/dbraw/zinc/25/19/36/1386251936.db2.gz JDZDWJJBOLQAJH-FQEVSTJZSA-N 2 0 346.515 3.192 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]CC2=CCCCC2)CCC1 ZINC001178688479 1386277744 /nfs/dbraw/zinc/27/77/44/1386277744.db2.gz JYRDVWPCVVFKIH-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001178688713 1386277859 /nfs/dbraw/zinc/27/78/59/1386277859.db2.gz HPOGWNUGIQVFEC-YSIASYRMSA-N 2 0 349.563 3.409 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001178808918 1386313508 /nfs/dbraw/zinc/31/35/08/1386313508.db2.gz YSOSXSZJVYAZTC-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC001178819921 1386317456 /nfs/dbraw/zinc/31/74/56/1386317456.db2.gz SFZDDABPIFXVRD-IEBWSBKVSA-N 2 0 333.520 3.354 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001178827914 1386320478 /nfs/dbraw/zinc/32/04/78/1386320478.db2.gz OJMJKBPYLHADOL-LJQANCHMSA-N 2 0 349.494 3.076 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001178832504 1386321620 /nfs/dbraw/zinc/32/16/20/1386321620.db2.gz HKMJEDPOFKKSSO-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178833608 1386322100 /nfs/dbraw/zinc/32/21/00/1386322100.db2.gz YRSWIIALLQFJOO-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP O=C(NCCCCCC[NH2+]CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001178943410 1386356387 /nfs/dbraw/zinc/35/63/87/1386356387.db2.gz ZZDFFGHVFLWGNG-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP O=C(NCCCCCC[NH2+]CCCCCF)c1ccn2c[nH+]cc2c1 ZINC001178947306 1386358257 /nfs/dbraw/zinc/35/82/57/1386358257.db2.gz PYKHCARMGBPANC-UHFFFAOYSA-N 2 0 348.466 3.354 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179134653 1386407151 /nfs/dbraw/zinc/40/71/51/1386407151.db2.gz PYGGQIAKAOSKPX-FQEVSTJZSA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179219219 1386426003 /nfs/dbraw/zinc/42/60/03/1386426003.db2.gz HUQLTWOGWHLEHN-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179392848 1386473097 /nfs/dbraw/zinc/47/30/97/1386473097.db2.gz MUMCRAJOQCOAMA-GOSISDBHSA-N 2 0 339.568 3.277 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)c1occc1C[NH+](C)C ZINC001179396128 1386474468 /nfs/dbraw/zinc/47/44/68/1386474468.db2.gz YARIGFOZBIOVCH-UHFFFAOYSA-N 2 0 337.508 3.267 20 0 EGADRP Cc1cc(C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C)cs1 ZINC001179402795 1386475660 /nfs/dbraw/zinc/47/56/60/1386475660.db2.gz CUEXQKWEFIUTTH-UHFFFAOYSA-N 2 0 339.549 3.165 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179403549 1386476812 /nfs/dbraw/zinc/47/68/12/1386476812.db2.gz RLLPUJKPQZPYTQ-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001320067399 1386487031 /nfs/dbraw/zinc/48/70/31/1386487031.db2.gz REHAKZLAYOMZRU-GOSISDBHSA-N 2 0 339.568 3.179 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C)C1 ZINC001179464369 1386488719 /nfs/dbraw/zinc/48/87/19/1386488719.db2.gz SKVKBAKFHABISR-RBUKOAKNSA-N 2 0 339.568 3.421 20 0 EGADRP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001320072332 1386491073 /nfs/dbraw/zinc/49/10/73/1386491073.db2.gz HZVACPCTJSVQOS-PBHICJAKSA-N 2 0 339.911 3.131 20 0 EGADRP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179498937 1386499270 /nfs/dbraw/zinc/49/92/70/1386499270.db2.gz JHFDNYXOTBOYQW-JTHGQSKGSA-N 2 0 325.541 3.195 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179499571 1386500058 /nfs/dbraw/zinc/50/00/58/1386500058.db2.gz XGJQLGOCJTWCLR-GOSISDBHSA-N 2 0 327.557 3.275 20 0 EGADRP Cc1cccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C)c1 ZINC001179550190 1386511761 /nfs/dbraw/zinc/51/17/61/1386511761.db2.gz QXHKUFPENNCPGE-HKUYNNGSSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc2c[nH+]cn21 ZINC001320102198 1386514115 /nfs/dbraw/zinc/51/41/15/1386514115.db2.gz UDLORBPMRCAHLZ-UHFFFAOYSA-N 2 0 348.450 3.169 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179580826 1386522537 /nfs/dbraw/zinc/52/25/37/1386522537.db2.gz RONXVYZSTSWOMR-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179590749 1386525490 /nfs/dbraw/zinc/52/54/90/1386525490.db2.gz LJUAEBUCBVHDRJ-IBGZPJMESA-N 2 0 343.531 3.121 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC001179609697 1386531379 /nfs/dbraw/zinc/53/13/79/1386531379.db2.gz YCKWQVYQHVFLDV-ACBHZAAOSA-N 2 0 339.568 3.419 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179652058 1386540811 /nfs/dbraw/zinc/54/08/11/1386540811.db2.gz MJADZQAKFPKGSZ-OIIZEAPSSA-N 2 0 335.536 3.044 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001320359075 1386586682 /nfs/dbraw/zinc/58/66/82/1386586682.db2.gz GDKDDKSIGDCATB-YLJYHZDGSA-N 2 0 338.499 3.005 20 0 EGADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001179851213 1386607152 /nfs/dbraw/zinc/60/71/52/1386607152.db2.gz YLNVNJJYOOMVEL-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CC1CC[NH+](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC1 ZINC001179891859 1386620377 /nfs/dbraw/zinc/62/03/77/1386620377.db2.gz FWKHSKQKAPCJBD-UHFFFAOYSA-N 2 0 349.563 3.485 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]1C ZINC001179976199 1386654950 /nfs/dbraw/zinc/65/49/50/1386654950.db2.gz JPJUKMMAOJCVTF-HWJGFJICSA-N 2 0 343.515 3.011 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@@H]1C ZINC001179976481 1386655051 /nfs/dbraw/zinc/65/50/51/1386655051.db2.gz PLLLCWCTRJAUQK-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001179983066 1386657831 /nfs/dbraw/zinc/65/78/31/1386657831.db2.gz KLBDYDHJCAQIKJ-BXWFABGCSA-N 2 0 349.494 3.198 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC ZINC001179988939 1386659896 /nfs/dbraw/zinc/65/98/96/1386659896.db2.gz QLGOEUGNOZYSPT-FPLPWBNLSA-N 2 0 325.541 3.341 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180156996 1386716758 /nfs/dbraw/zinc/71/67/58/1386716758.db2.gz PKMLXYFWJRESQN-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180156774 1386716960 /nfs/dbraw/zinc/71/69/60/1386716960.db2.gz FSYALOLSCKVOJC-DHJFXDNESA-N 2 0 335.536 3.188 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180259776 1386748576 /nfs/dbraw/zinc/74/85/76/1386748576.db2.gz MGBYWBFNQBHEPY-RBUKOAKNSA-N 2 0 345.531 3.274 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)c1ccccc1C[NH+](C)C ZINC001180365880 1386775390 /nfs/dbraw/zinc/77/53/90/1386775390.db2.gz NBDIYHWHKMPVTD-UHFFFAOYSA-N 2 0 333.520 3.428 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180372586 1386777478 /nfs/dbraw/zinc/77/74/78/1386777478.db2.gz DAAQTXQHRNOOTK-RTBURBONSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180373273 1386777706 /nfs/dbraw/zinc/77/77/06/1386777706.db2.gz ZUIXQKLOERFGRJ-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC001321150577 1386823386 /nfs/dbraw/zinc/82/33/86/1386823386.db2.gz HDRJQHLVYWBTNT-LJQANCHMSA-N 2 0 336.483 3.001 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C)cc1Cl ZINC001181483884 1387002772 /nfs/dbraw/zinc/00/27/72/1387002772.db2.gz AXFQZDMLNQWPIP-GOSISDBHSA-N 2 0 337.939 3.496 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001322051131 1387039803 /nfs/dbraw/zinc/03/98/03/1387039803.db2.gz WYKGXRQAAVTXPN-KXBFYZLASA-N 2 0 349.494 3.029 20 0 EGADRP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001181800805 1387056993 /nfs/dbraw/zinc/05/69/93/1387056993.db2.gz BSEAFJLVOVXPQW-IMFGXOCKSA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Oc1ccccc1 ZINC001181809177 1387058420 /nfs/dbraw/zinc/05/84/20/1387058420.db2.gz WZVITAVFMPUIBC-UHFFFAOYSA-N 2 0 346.515 3.278 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)N[C@@]1(C)CCC[NH+](C)C1)c1ccccc1 ZINC001182238556 1387129686 /nfs/dbraw/zinc/12/96/86/1387129686.db2.gz XWCIQSSIOQZSLD-CTNGQTDRSA-N 2 0 345.531 3.450 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182410229 1387162154 /nfs/dbraw/zinc/16/21/54/1387162154.db2.gz IEOMHTQTCUNHDN-NREOILKTSA-N 2 0 337.552 3.149 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486420 1387174888 /nfs/dbraw/zinc/17/48/88/1387174888.db2.gz MDRXVTUBGNDGKT-DBXWQHBBSA-N 2 0 345.531 3.082 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001182614096 1387196549 /nfs/dbraw/zinc/19/65/49/1387196549.db2.gz AHINWTVUGYQKED-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC2)c1 ZINC001698713430 1406356418 /nfs/dbraw/zinc/35/64/18/1406356418.db2.gz ZBFIEBUTNABTII-UFYCRDLUSA-N 2 0 345.531 3.106 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336739475 1389151943 /nfs/dbraw/zinc/15/19/43/1389151943.db2.gz NUCRTWGOEFIIJT-NQIIRXRSSA-N 2 0 326.484 3.063 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001336779186 1389167400 /nfs/dbraw/zinc/16/74/00/1389167400.db2.gz IGLUODSFMWTTHQ-WBMJQRKESA-N 2 0 328.859 3.223 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001336780563 1389168261 /nfs/dbraw/zinc/16/82/61/1389168261.db2.gz NUKCLLZQLORFPW-HNNXBMFYSA-N 2 0 335.467 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001329622371 1389188043 /nfs/dbraw/zinc/18/80/43/1389188043.db2.gz DAEUZLNCVBCRQI-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC001330584108 1389461530 /nfs/dbraw/zinc/46/15/30/1389461530.db2.gz HSDTYEGQINMSQQ-GOSISDBHSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)[NH+](CC)CC ZINC001698732124 1406381065 /nfs/dbraw/zinc/38/10/65/1406381065.db2.gz NNSDDVDOSOEAOU-RTBURBONSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC001338460610 1389688415 /nfs/dbraw/zinc/68/84/15/1389688415.db2.gz IRPWUGDAFDELIR-FQEVSTJZSA-N 2 0 330.447 3.489 20 0 EGADRP Cc1cccnc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001331400317 1389733402 /nfs/dbraw/zinc/73/34/02/1389733402.db2.gz SKQUICBJFWSWSO-UHFFFAOYSA-N 2 0 339.483 3.197 20 0 EGADRP [NH3+][C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCCCC1 ZINC001332451874 1390121429 /nfs/dbraw/zinc/12/14/29/1390121429.db2.gz UGZIRGUCRZVJFB-LJQANCHMSA-N 2 0 329.488 3.171 20 0 EGADRP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001340032725 1390212021 /nfs/dbraw/zinc/21/20/21/1390212021.db2.gz GEZZLRKRKWIVKL-KRWDZBQOSA-N 2 0 349.544 3.328 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCCCC1CC[NH2+]CC1 ZINC001340166721 1390240551 /nfs/dbraw/zinc/24/05/51/1390240551.db2.gz CPCVFWBDNAPQCR-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001333140468 1390255411 /nfs/dbraw/zinc/25/54/11/1390255411.db2.gz IRIGLSQSPIUBLK-QHGAOEGBSA-N 2 0 345.531 3.367 20 0 EGADRP CCCCC[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001341041110 1390430607 /nfs/dbraw/zinc/43/06/07/1390430607.db2.gz NOBHTLXIGORUAT-YTQUADARSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001341621511 1390510831 /nfs/dbraw/zinc/51/08/31/1390510831.db2.gz AVFHNPUYKVRSKW-FQEVSTJZSA-N 2 0 335.451 3.283 20 0 EGADRP C[NH2+]CCCCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC001341659068 1390515172 /nfs/dbraw/zinc/51/51/72/1390515172.db2.gz LRHGVDVGYAHRJG-UHFFFAOYSA-N 2 0 326.444 3.215 20 0 EGADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001341701028 1390518969 /nfs/dbraw/zinc/51/89/69/1390518969.db2.gz MPPATERGBNMGOJ-IHPCNDPISA-N 2 0 345.531 3.261 20 0 EGADRP C[NH2+]CCCCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001341701463 1390519170 /nfs/dbraw/zinc/51/91/70/1390519170.db2.gz SSJSJYJYRPJFKQ-KRWDZBQOSA-N 2 0 331.504 3.156 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C)c1OC ZINC001334355201 1390524221 /nfs/dbraw/zinc/52/42/21/1390524221.db2.gz AMHSTIMPSJPRJQ-OKZBNKHCSA-N 2 0 332.488 3.174 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342395899 1390608245 /nfs/dbraw/zinc/60/82/45/1390608245.db2.gz DGXOPEZXPAATEZ-UHFFFAOYSA-N 2 0 335.407 3.350 20 0 EGADRP COc1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001335151141 1390649588 /nfs/dbraw/zinc/64/95/88/1390649588.db2.gz TVTRMCJGWOCQHZ-LZWOXQAQSA-N 2 0 336.451 3.005 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)C1CCSCC1 ZINC001343090447 1390690753 /nfs/dbraw/zinc/69/07/53/1390690753.db2.gz UONWGXBTHAAWBH-QGZVFWFLSA-N 2 0 347.572 3.055 20 0 EGADRP C[C@@H]([NH2+]CCOC1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001335506931 1390695727 /nfs/dbraw/zinc/69/57/27/1390695727.db2.gz QXJBUYVMEAHCMY-MJGOQNOKSA-N 2 0 348.556 3.399 20 0 EGADRP C[C@@H]1C[C@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH2+]1 ZINC001343371311 1390709731 /nfs/dbraw/zinc/70/97/31/1390709731.db2.gz HYRGAEYSTOSDFR-JFIYKMOQSA-N 2 0 329.488 3.388 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001349324272 1391320913 /nfs/dbraw/zinc/32/09/13/1391320913.db2.gz DVCOOOQHHQKXBT-UHFFFAOYSA-N 2 0 340.471 3.051 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC001353583109 1392043946 /nfs/dbraw/zinc/04/39/46/1392043946.db2.gz CBVOIZVBBHUTOK-UHFFFAOYSA-N 2 0 341.455 3.005 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001479257057 1392199960 /nfs/dbraw/zinc/19/99/60/1392199960.db2.gz JKURCDMQTJAQGN-UYAOXDASSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001479835576 1392421168 /nfs/dbraw/zinc/42/11/68/1392421168.db2.gz XOXCEGQVTOYOFP-IEBWSBKVSA-N 2 0 337.552 3.122 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001480304277 1392668321 /nfs/dbraw/zinc/66/83/21/1392668321.db2.gz WVWHEBZXOAPVJW-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1c(C)cccc1C ZINC001480333048 1392692074 /nfs/dbraw/zinc/69/20/74/1392692074.db2.gz SWIUQSHDSPDBKV-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001481181632 1393143308 /nfs/dbraw/zinc/14/33/08/1393143308.db2.gz CKTMDCHOYKJFLP-PXNSSMCTSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1ccccc1C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001481186491 1393144995 /nfs/dbraw/zinc/14/49/95/1393144995.db2.gz RRRZUMOJFXSKOJ-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccc(C(C)C)cc1 ZINC001481361571 1394201551 /nfs/dbraw/zinc/20/15/51/1394201551.db2.gz ZWKABZNKTUWNSP-FQEVSTJZSA-N 2 0 345.531 3.450 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561024 1394260300 /nfs/dbraw/zinc/26/03/00/1394260300.db2.gz MLTQIPDKBYHULR-RBUKOAKNSA-N 2 0 345.531 3.306 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561023 1394260948 /nfs/dbraw/zinc/26/09/48/1394260948.db2.gz MLTQIPDKBYHULR-OALUTQOASA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490764886 1394327209 /nfs/dbraw/zinc/32/72/09/1394327209.db2.gz HCKLTCFFSXOUAG-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001698951576 1406691635 /nfs/dbraw/zinc/69/16/35/1406691635.db2.gz FLQSPCITTBQZTG-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481629711 1394425230 /nfs/dbraw/zinc/42/52/30/1394425230.db2.gz TVAHLGCWQKDDOW-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1 ZINC001482065759 1394726908 /nfs/dbraw/zinc/72/69/08/1394726908.db2.gz SINNGFNJAWBQFV-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001482356323 1394919530 /nfs/dbraw/zinc/91/95/30/1394919530.db2.gz NHKQSLQSVIBTPE-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CC(C)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CC(C)C1 ZINC001482558649 1395088863 /nfs/dbraw/zinc/08/88/63/1395088863.db2.gz CYZJIOKGQVFBIU-OUNSHVDWSA-N 2 0 345.531 3.138 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCCC(C)(C)C)CC2 ZINC001483834282 1395102322 /nfs/dbraw/zinc/10/23/22/1395102322.db2.gz ADEDBRMDZMVXPM-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C)c1 ZINC001698973276 1406739449 /nfs/dbraw/zinc/73/94/49/1406739449.db2.gz QPFKQTYMJNSEPW-VQTJNVASSA-N 2 0 347.547 3.120 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C[C@@H]1C ZINC001483917294 1395144099 /nfs/dbraw/zinc/14/40/99/1395144099.db2.gz VFBQJGHLPDVNCI-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001484136966 1395273946 /nfs/dbraw/zinc/27/39/46/1395273946.db2.gz IFNCDXNSIMNABI-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484172566 1395314341 /nfs/dbraw/zinc/31/43/41/1395314341.db2.gz GFXWZRKJDNHLCT-ICSRJNTNSA-N 2 0 339.568 3.227 20 0 EGADRP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCC1 ZINC001485427210 1395893705 /nfs/dbraw/zinc/89/37/05/1395893705.db2.gz ADEHBJJNQRVXJT-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001485960373 1396174120 /nfs/dbraw/zinc/17/41/20/1396174120.db2.gz FLIGKCFGOBHVQQ-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001502999385 1396239044 /nfs/dbraw/zinc/23/90/44/1396239044.db2.gz APAYVNXGRWBBCJ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001503645553 1396261283 /nfs/dbraw/zinc/26/12/83/1396261283.db2.gz FDXHLKLRPLWMGR-GJZGRUSLSA-N 2 0 339.911 3.226 20 0 EGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001492819277 1396325018 /nfs/dbraw/zinc/32/50/18/1396325018.db2.gz PZIJFIPCEMLDDK-SJORKVTESA-N 2 0 339.911 3.179 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001493138022 1396337909 /nfs/dbraw/zinc/33/79/09/1396337909.db2.gz NZNVJRKYBXHMBY-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001494214431 1396403312 /nfs/dbraw/zinc/40/33/12/1396403312.db2.gz INVXRUMROXYOQY-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001494294050 1396421935 /nfs/dbraw/zinc/42/19/35/1396421935.db2.gz OQQQEUMTIOTKLI-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1)[NH+](C)C ZINC001495203354 1396524469 /nfs/dbraw/zinc/52/44/69/1396524469.db2.gz JZEDOSFYSJEMSI-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001495939296 1396573020 /nfs/dbraw/zinc/57/30/20/1396573020.db2.gz GPZSSOVAMUXSEP-QGZVFWFLSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001496713665 1396722539 /nfs/dbraw/zinc/72/25/39/1396722539.db2.gz DPDLDXFFKQZAKD-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H](C[N@H+](C)[C@H](C)c1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001498370077 1396976829 /nfs/dbraw/zinc/97/68/29/1396976829.db2.gz UPFGJJBIHJOEEG-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498488801 1397033668 /nfs/dbraw/zinc/03/36/68/1397033668.db2.gz JJAGSQSNQBORCA-IEBWSBKVSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC001690244819 1404430624 /nfs/dbraw/zinc/43/06/24/1404430624.db2.gz ULGIOQNXLSJETE-JXFKEZNVSA-N 2 0 339.483 3.043 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001690650655 1404682131 /nfs/dbraw/zinc/68/21/31/1404682131.db2.gz OPBBXHYUNLFGLV-VQIMIIECSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)[NH2+]CCc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001690798694 1404740090 /nfs/dbraw/zinc/74/00/90/1404740090.db2.gz WDMZBEPHZBDSNW-GOSISDBHSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001690982142 1404895093 /nfs/dbraw/zinc/89/50/93/1404895093.db2.gz QLAFIKLURRTFMF-PKOBYXMFSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001691047420 1404959438 /nfs/dbraw/zinc/95/94/38/1404959438.db2.gz BHGXFPXEPHRTAY-WMLDXEAASA-N 2 0 339.911 3.179 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691506698 1405310364 /nfs/dbraw/zinc/31/03/64/1405310364.db2.gz VSFYPASJIGLKIX-JPLJXNOCSA-N 2 0 345.531 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CC(C)C1)CC2 ZINC001691960023 1405676761 /nfs/dbraw/zinc/67/67/61/1405676761.db2.gz JAGBQILFGGFSJR-JLAWEPINSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CCC(=O)NCC1C[NH+](CCC2CCCC2)C1)C1CCCCC1 ZINC001692320839 1405939554 /nfs/dbraw/zinc/93/95/54/1405939554.db2.gz LUHZGSOIKYZDBH-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001732058369 1428303837 /nfs/dbraw/zinc/30/38/37/1428303837.db2.gz FJKLDSMNIXYFEF-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001732134616 1428381126 /nfs/dbraw/zinc/38/11/26/1428381126.db2.gz PIHJXWSPGKALSN-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732343563 1428542111 /nfs/dbraw/zinc/54/21/11/1428542111.db2.gz PYEIBFRVFDQTFE-KRWDZBQOSA-N 2 0 345.531 3.101 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001732372288 1428553127 /nfs/dbraw/zinc/55/31/27/1428553127.db2.gz MMBHFEPYGPTQPX-KRWDZBQOSA-N 2 0 345.531 3.021 20 0 EGADRP C[C@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699374331 1412681080 /nfs/dbraw/zinc/68/10/80/1412681080.db2.gz QYAYGQWLQFLXHQ-AQEOSJORSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H](C[N@H+](C)CC/C=C\c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699445917 1412780024 /nfs/dbraw/zinc/78/00/24/1412780024.db2.gz JABOZNIMYDRLEE-ZHJQRIIBSA-N 2 0 343.515 3.011 20 0 EGADRP CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001699606808 1412970617 /nfs/dbraw/zinc/97/06/17/1412970617.db2.gz OSVPXUIBFFCNHF-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001699738031 1413148958 /nfs/dbraw/zinc/14/89/58/1413148958.db2.gz JNKUEBYWKIQWFZ-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[NH+]1CCC(C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001699863801 1413299231 /nfs/dbraw/zinc/29/92/31/1413299231.db2.gz AYASUMFRQXMPJP-UHFFFAOYSA-N 2 0 345.531 3.031 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)c3cccc(C[NH+](C)C)c3)CCC2)C1 ZINC001700143022 1413565588 /nfs/dbraw/zinc/56/55/88/1413565588.db2.gz LYSUWAFIPVCAEC-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001700341433 1413823716 /nfs/dbraw/zinc/82/37/16/1413823716.db2.gz OBLGIDZKNZEBGH-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001700365007 1413887135 /nfs/dbraw/zinc/88/71/35/1413887135.db2.gz SZZVSNNNDHLMLY-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CCc1cccc(C[NH+]2CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]2C)c1 ZINC001700885935 1414544220 /nfs/dbraw/zinc/54/42/20/1414544220.db2.gz AIDZQEAMWIPTLD-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001701023779 1414685326 /nfs/dbraw/zinc/68/53/26/1414685326.db2.gz OYUIXGIFHCTZTM-UHFFFAOYSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732702580 1428917141 /nfs/dbraw/zinc/91/71/41/1428917141.db2.gz OEMRSLDOMMCWEE-IRXDYDNUSA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001732957594 1429082043 /nfs/dbraw/zinc/08/20/43/1429082043.db2.gz BINKDLYGALGOBC-KEYYUXOJSA-N 2 0 339.911 3.082 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001732977251 1429103718 /nfs/dbraw/zinc/10/37/18/1429103718.db2.gz YGUMQYCSYSPJCU-CVEARBPZSA-N 2 0 349.494 3.101 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001733018900 1429138075 /nfs/dbraw/zinc/13/80/75/1429138075.db2.gz JXOVDSSZRXFJCP-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001733043008 1429173000 /nfs/dbraw/zinc/17/30/00/1429173000.db2.gz BRRJYQJSEMKSLP-FUHWJXTLSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001713004742 1417558912 /nfs/dbraw/zinc/55/89/12/1417558912.db2.gz STOSUGWJKSWPNG-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001713267289 1417876264 /nfs/dbraw/zinc/87/62/64/1417876264.db2.gz MVXJDAYIULRELT-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001713277525 1417899175 /nfs/dbraw/zinc/89/91/75/1417899175.db2.gz JOFKEFAWZKIOGB-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001713288640 1417915741 /nfs/dbraw/zinc/91/57/41/1417915741.db2.gz AWUMGUJBJPQNOX-IPJUCJBFSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001733084312 1429236844 /nfs/dbraw/zinc/23/68/44/1429236844.db2.gz SKZGTAPSTQWYGR-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCC1CCCCCC1 ZINC001713487287 1418181983 /nfs/dbraw/zinc/18/19/83/1418181983.db2.gz NQCKZTVIOKHCJB-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1cccc(C)c1 ZINC001713493862 1418196737 /nfs/dbraw/zinc/19/67/37/1418196737.db2.gz SYQKOWURLYLNFW-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CC1CCCCCC1 ZINC001713497425 1418209069 /nfs/dbraw/zinc/20/90/69/1418209069.db2.gz MMENKBQPVCCBDR-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCCC2)CC1 ZINC001713516248 1418251752 /nfs/dbraw/zinc/25/17/52/1418251752.db2.gz JXUKPRLVNHSKOI-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001714054582 1418852949 /nfs/dbraw/zinc/85/29/49/1418852949.db2.gz XUHMOUBMODQOAC-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C[NH2+]C[C@@H](C)CC)CCCC2)C1 ZINC001714140715 1418943351 /nfs/dbraw/zinc/94/33/51/1418943351.db2.gz TWIXFBFRHJMDBD-ZWKOTPCHSA-N 2 0 337.552 3.173 20 0 EGADRP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001714353651 1419119458 /nfs/dbraw/zinc/11/94/58/1419119458.db2.gz AMUNIKQXWROZSD-MOPGFXCFSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001714413724 1419152173 /nfs/dbraw/zinc/15/21/73/1419152173.db2.gz XTQXOIOGHBBYEY-OALUTQOASA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001714416917 1419154045 /nfs/dbraw/zinc/15/40/45/1419154045.db2.gz GJNCEQAWEMPBNL-MOPGFXCFSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714446998 1419178931 /nfs/dbraw/zinc/17/89/31/1419178931.db2.gz XUIYUUQBFMAMNX-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC/C=C\c1ccccc1 ZINC001714572674 1419306341 /nfs/dbraw/zinc/30/63/41/1419306341.db2.gz QOFRGOQKORKFMO-SJAUKRLSSA-N 2 0 343.515 3.012 20 0 EGADRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1cc(C)ccc1C ZINC001714598535 1419353085 /nfs/dbraw/zinc/35/30/85/1419353085.db2.gz BVSMRCXRHBZHRY-UHFFFAOYSA-N 2 0 345.531 3.118 20 0 EGADRP Cc1ccccc1C[N@H+](CCNC(=O)c1cc2c[nH]ccc-2n1)C1CC1 ZINC001714669697 1419459159 /nfs/dbraw/zinc/45/91/59/1419459159.db2.gz LSUDNPARIZKRMF-UHFFFAOYSA-N 2 0 348.450 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C)cc2)CC1 ZINC001714819021 1419529012 /nfs/dbraw/zinc/52/90/12/1419529012.db2.gz WBAQTJRXSQBIEH-SFHVURJKSA-N 2 0 345.531 3.054 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714867855 1419595619 /nfs/dbraw/zinc/59/56/19/1419595619.db2.gz XFOUNQXTMRRLLA-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001715000832 1419731560 /nfs/dbraw/zinc/73/15/60/1419731560.db2.gz FTRPXMNXMXHCNL-IPMKNSEASA-N 2 0 349.494 3.054 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001715035817 1419770594 /nfs/dbraw/zinc/77/05/94/1419770594.db2.gz AWNMPRWMZNHBMY-IEBWSBKVSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C(=O)NC1(C[NH2+]Cc2cc(C)ccc2C)CCCC1)[NH+](C)C ZINC001715093805 1419834830 /nfs/dbraw/zinc/83/48/30/1419834830.db2.gz JPUOAARSQXIVLV-LJQANCHMSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCC2)c1 ZINC001715098448 1419838621 /nfs/dbraw/zinc/83/86/21/1419838621.db2.gz PBIXRGAMCGAHGK-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001715480535 1420159425 /nfs/dbraw/zinc/15/94/25/1420159425.db2.gz HLMGYKNLWXWIPQ-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP C[N@H+](CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1)CC1CCCCC1 ZINC001715499076 1420181185 /nfs/dbraw/zinc/18/11/85/1420181185.db2.gz QFIBRSRMNQVHMX-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CCC1CCCCCC1)[NH+](C)C ZINC001715857093 1420369643 /nfs/dbraw/zinc/36/96/43/1420369643.db2.gz BATHICGYKHEQGV-IBGZPJMESA-N 2 0 339.568 3.323 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)c1sccc1C[NH+](C)C ZINC001715934542 1420406101 /nfs/dbraw/zinc/40/61/01/1420406101.db2.gz ZCCQEYFXYSKRFH-CABCVRRESA-N 2 0 345.512 3.279 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001716072158 1420527962 /nfs/dbraw/zinc/52/79/62/1420527962.db2.gz CLJHDMGZOFSGCO-QUCCMNQESA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001716492793 1420714614 /nfs/dbraw/zinc/71/46/14/1420714614.db2.gz WQONCANOMPEJMK-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001717144808 1421137583 /nfs/dbraw/zinc/13/75/83/1421137583.db2.gz ZONJKTROCRPXRC-QZTJIDSGSA-N 2 0 334.508 3.097 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001717211201 1421184992 /nfs/dbraw/zinc/18/49/92/1421184992.db2.gz ICAPDNGPIPWWSQ-SFHVURJKSA-N 2 0 345.531 3.178 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001717312425 1421257441 /nfs/dbraw/zinc/25/74/41/1421257441.db2.gz UPVZUPJWNDEDJY-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001717485960 1421422585 /nfs/dbraw/zinc/42/25/85/1421422585.db2.gz WYGUFGIFWMIGFZ-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)CC1CCCCCC1 ZINC001717488674 1421426169 /nfs/dbraw/zinc/42/61/69/1421426169.db2.gz YXSFDHVWSLIVAC-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001717748108 1421610691 /nfs/dbraw/zinc/61/06/91/1421610691.db2.gz ATSVEPGNFJZPOD-QGZVFWFLSA-N 2 0 347.547 3.262 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001717830898 1421643063 /nfs/dbraw/zinc/64/30/63/1421643063.db2.gz WEMSKPXXBNPUJS-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001717859822 1421672091 /nfs/dbraw/zinc/67/20/91/1421672091.db2.gz FOJDHQIIDPJLFP-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001717873548 1421681417 /nfs/dbraw/zinc/68/14/17/1421681417.db2.gz RXXAXDQQVUFDIR-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccccc1C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001733412385 1429613182 /nfs/dbraw/zinc/61/31/82/1429613182.db2.gz MTNOWJPDOYMSCZ-NRFANRHFSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC/C=C\c2ccccc2)C1 ZINC001733412709 1429614769 /nfs/dbraw/zinc/61/47/69/1429614769.db2.gz ONYVTAHKYPKJAE-UOMAQRANSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001733440124 1429647276 /nfs/dbraw/zinc/64/72/76/1429647276.db2.gz CDSXJJJEJHPUCT-FQEVSTJZSA-N 2 0 337.552 3.127 20 0 EGADRP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(C)c1 ZINC001723376088 1424376580 /nfs/dbraw/zinc/37/65/80/1424376580.db2.gz FBFVXSZFKYJADO-PMACEKPBSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001723577097 1424470915 /nfs/dbraw/zinc/47/09/15/1424470915.db2.gz IIWMSHNWKBUHFM-KRWDZBQOSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001724843680 1425193294 /nfs/dbraw/zinc/19/32/94/1425193294.db2.gz NQTVYWNPTYCCNR-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001724853024 1425219215 /nfs/dbraw/zinc/21/92/15/1425219215.db2.gz SMYQGRCPOKFABY-ICSRJNTNSA-N 2 0 345.531 3.402 20 0 EGADRP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001724890224 1425276757 /nfs/dbraw/zinc/27/67/57/1425276757.db2.gz NBPWCDJVJIJYSD-LJQANCHMSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(F)c2)[C@H](C)C1 ZINC001725003285 1425414535 /nfs/dbraw/zinc/41/45/35/1425414535.db2.gz PAAYZIQBPZCFSV-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP Cc1c(C(=O)NC[C@H](C)[N@H+](C)CCC2CCCC2)ccc2c[nH+]cn21 ZINC001725170301 1425677054 /nfs/dbraw/zinc/67/70/54/1425677054.db2.gz DOZXVFCGGDFYSR-HNNXBMFYSA-N 2 0 342.487 3.273 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCCCC2)CC1 ZINC001725242529 1425851002 /nfs/dbraw/zinc/85/10/02/1425851002.db2.gz OYJLHUCUEKUEBP-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001725561233 1426224658 /nfs/dbraw/zinc/22/46/58/1426224658.db2.gz AJZPUBCBNNKRAH-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCCC(C)(C)C ZINC001725618247 1426281568 /nfs/dbraw/zinc/28/15/68/1426281568.db2.gz DZCNELIPEDTEMG-WMZOPIPTSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001725669530 1426353549 /nfs/dbraw/zinc/35/35/49/1426353549.db2.gz XTDHAWHEPHDNSW-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1)CC(C)(C)C ZINC001731354356 1427293851 /nfs/dbraw/zinc/29/38/51/1427293851.db2.gz QJCVKOKKSQKVAB-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001731553652 1427577689 /nfs/dbraw/zinc/57/76/89/1427577689.db2.gz IEJIKEOYWMKIOE-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719462 1427786642 /nfs/dbraw/zinc/78/66/42/1427786642.db2.gz GVZNFHCNGFLVDV-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001731811944 1427995329 /nfs/dbraw/zinc/99/53/29/1427995329.db2.gz ZFJVHPOASPFLCD-APWZRJJASA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)[C@H](C)c1ccccc1 ZINC001731873535 1428133870 /nfs/dbraw/zinc/13/38/70/1428133870.db2.gz LEJSZTBPUGDJGW-QUCCMNQESA-N 2 0 345.531 3.450 20 0 EGADRP O=C(NCC[N@H+](CCC1CC1)C1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001731880790 1428151191 /nfs/dbraw/zinc/15/11/91/1428151191.db2.gz USQIVVUJVVDGDM-FQEVSTJZSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC)c1ccccc1 ZINC001733711024 1429927232 /nfs/dbraw/zinc/92/72/32/1429927232.db2.gz YXJZOQXQIWDMIU-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001733899308 1437717365 /nfs/dbraw/zinc/71/73/65/1437717365.db2.gz GWPBSJSPQCOOMD-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CN(C(=O)C[N@H+](C)C1CCC1)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC001734010403 1437802046 /nfs/dbraw/zinc/80/20/46/1437802046.db2.gz AHOZLCHRSKQYCC-UHFFFAOYSA-N 2 0 343.515 3.030 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001734128680 1437906261 /nfs/dbraw/zinc/90/62/61/1437906261.db2.gz NTZRKKPEWMUMAH-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001734328821 1438053420 /nfs/dbraw/zinc/05/34/20/1438053420.db2.gz RDAADZSGACWWDS-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CCCC1CCCC1 ZINC001751998155 1440131769 /nfs/dbraw/zinc/13/17/69/1440131769.db2.gz RZCDAGNUYWLTBN-UHFFFAOYSA-N 2 0 349.563 3.271 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)CC2=CCCCC2)CCCCC1 ZINC001752030233 1440133913 /nfs/dbraw/zinc/13/39/13/1440133913.db2.gz KQEXBXHXIPBTSY-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001752038475 1440134675 /nfs/dbraw/zinc/13/46/75/1440134675.db2.gz GXGULLSNYXNGEN-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001752159338 1440148478 /nfs/dbraw/zinc/14/84/78/1440148478.db2.gz PKRXVCDHCNADIV-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001752205377 1440154035 /nfs/dbraw/zinc/15/40/35/1440154035.db2.gz FAJDZDBBMBMAOP-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001752309199 1440169311 /nfs/dbraw/zinc/16/93/11/1440169311.db2.gz XGJDXHCHRHJOGH-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001752309722 1440169720 /nfs/dbraw/zinc/16/97/20/1440169720.db2.gz FANQQOOGRHTZKA-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001752470543 1440184299 /nfs/dbraw/zinc/18/42/99/1440184299.db2.gz HCBCIRHNGGJXEK-OALUTQOASA-N 2 0 349.563 3.027 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)CC(C)(C)C ZINC001752483735 1440186076 /nfs/dbraw/zinc/18/60/76/1440186076.db2.gz AASWZEAKDQIYCB-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001752634430 1440197310 /nfs/dbraw/zinc/19/73/10/1440197310.db2.gz KKQRGDAGNDEDLX-KZNAEPCWSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001752687491 1440200160 /nfs/dbraw/zinc/20/01/60/1440200160.db2.gz RKNWLLUDVKWJMH-VAMGGRTRSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001752698240 1440201307 /nfs/dbraw/zinc/20/13/07/1440201307.db2.gz DWSOYXGPPYBBSB-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001752776148 1440206888 /nfs/dbraw/zinc/20/68/88/1440206888.db2.gz JRYBIYYOIQPZFN-KHSMEXAKSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001752790120 1440213617 /nfs/dbraw/zinc/21/36/17/1440213617.db2.gz SFKOORVXXFJJHK-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752801933 1440215075 /nfs/dbraw/zinc/21/50/75/1440215075.db2.gz WAYSAUKMHOEJST-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001752820215 1440220037 /nfs/dbraw/zinc/22/00/37/1440220037.db2.gz CQWYWEJGVKUSBU-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC(C)C ZINC001752834447 1440226966 /nfs/dbraw/zinc/22/69/66/1440226966.db2.gz SDHZKQLKLPTTCK-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752836913 1440228345 /nfs/dbraw/zinc/22/83/45/1440228345.db2.gz PYXOMBOHDCLGLK-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCC(C)(C)C ZINC001752872907 1440237488 /nfs/dbraw/zinc/23/74/88/1440237488.db2.gz LMRRKRFYIDBRLC-INIZCTEOSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001752884861 1440239738 /nfs/dbraw/zinc/23/97/38/1440239738.db2.gz HMWNCNTUIDAFDK-UYAOXDASSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001752889843 1440240681 /nfs/dbraw/zinc/24/06/81/1440240681.db2.gz BCVKMNOQUZYSNT-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001752902453 1440243217 /nfs/dbraw/zinc/24/32/17/1440243217.db2.gz BVOPMDWVFNVFAE-LPHOPBHVSA-N 2 0 349.494 3.013 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001752902454 1440243318 /nfs/dbraw/zinc/24/33/18/1440243318.db2.gz BVOPMDWVFNVFAE-QFBILLFUSA-N 2 0 349.494 3.013 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752978190 1440256548 /nfs/dbraw/zinc/25/65/48/1440256548.db2.gz ZRRVPGZMLFOGQY-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995233 1440261618 /nfs/dbraw/zinc/26/16/18/1440261618.db2.gz QRBAQZUIMQGORI-RZZOZFHJSA-N 2 0 349.563 3.386 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001753020310 1440269724 /nfs/dbraw/zinc/26/97/24/1440269724.db2.gz JLJXBYSFECYKLC-QUCCMNQESA-N 2 0 345.531 3.162 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001753029895 1440272550 /nfs/dbraw/zinc/27/25/50/1440272550.db2.gz LRQZKPHTHHKYKM-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753049683 1440278823 /nfs/dbraw/zinc/27/88/23/1440278823.db2.gz MTIUJDUHAOSLLD-IBGZPJMESA-N 2 0 345.531 3.450 20 0 EGADRP C[N@H+](CCC(=O)NC[C@H]1CCC[NH+]1CC1CCCC1)C1CCCCC1 ZINC001753107359 1440306821 /nfs/dbraw/zinc/30/68/21/1440306821.db2.gz DMDVXDQFMROPRA-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCC2CCCCCC2)C1 ZINC001753111322 1440308446 /nfs/dbraw/zinc/30/84/46/1440308446.db2.gz GKWOCSRTTUEYTC-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001753112879 1440309521 /nfs/dbraw/zinc/30/95/21/1440309521.db2.gz IFXNKTVPZMUUKE-ASIGSXEYSA-N 2 0 335.536 3.186 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1cccc(C)c1 ZINC001753115616 1440311093 /nfs/dbraw/zinc/31/10/93/1440311093.db2.gz GESOTHJSEWPUEI-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001753135019 1440318562 /nfs/dbraw/zinc/31/85/62/1440318562.db2.gz HAWQRPWSKZAEDE-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001753262788 1440344416 /nfs/dbraw/zinc/34/44/16/1440344416.db2.gz LQPSOMPEDHXRND-QGZVFWFLSA-N 2 0 349.494 3.201 20 0 EGADRP CCC(CC)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001753300736 1440353851 /nfs/dbraw/zinc/35/38/51/1440353851.db2.gz ZJOBSWXSPBODAG-WOJBJXKFSA-N 2 0 345.531 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001753357970 1440381207 /nfs/dbraw/zinc/38/12/07/1440381207.db2.gz IUFZHLCQAAHCNT-DLBZAZTESA-N 2 0 349.494 3.009 20 0 EGADRP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001753360358 1440382303 /nfs/dbraw/zinc/38/23/03/1440382303.db2.gz SNQKELPWQQBTPB-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC(C)(C)C)CC1 ZINC001753426282 1440396961 /nfs/dbraw/zinc/39/69/61/1440396961.db2.gz UBDJEQPHHRSSCJ-OALUTQOASA-N 2 0 349.563 3.218 20 0 EGADRP CN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753450364 1440405722 /nfs/dbraw/zinc/40/57/22/1440405722.db2.gz PZZKYUPDDLAWDW-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753460441 1440410100 /nfs/dbraw/zinc/41/01/00/1440410100.db2.gz YFSYDARPOZKRMH-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[NH2+]C[C@@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@H]1C ZINC001753538052 1440433064 /nfs/dbraw/zinc/43/30/64/1440433064.db2.gz VXKSJAHNWURQAS-UTKZUKDTSA-N 2 0 345.531 3.425 20 0 EGADRP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001753550431 1440434916 /nfs/dbraw/zinc/43/49/16/1440434916.db2.gz QWSNGRNIPLYYOT-LJQANCHMSA-N 2 0 347.547 3.047 20 0 EGADRP CCC(CC)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001753550532 1440434949 /nfs/dbraw/zinc/43/49/49/1440434949.db2.gz SMROEFVPPCMPJQ-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCC3CC3)CC2)CC1 ZINC001753576354 1440439349 /nfs/dbraw/zinc/43/93/49/1440439349.db2.gz PGYBAPQFZJETNA-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001753594530 1440444185 /nfs/dbraw/zinc/44/41/85/1440444185.db2.gz DMNDWYPIUNMWBZ-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001753636382 1440453268 /nfs/dbraw/zinc/45/32/68/1440453268.db2.gz VBNDYIDKHIQPTE-KRWDZBQOSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753694684 1440467227 /nfs/dbraw/zinc/46/72/27/1440467227.db2.gz DTLCDZDEWABOMK-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753695834 1440467530 /nfs/dbraw/zinc/46/75/30/1440467530.db2.gz ZBWHIHYUMIQXKP-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1c(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)CC(C)C)ccc2c[nH+]cn21 ZINC001753735668 1440477706 /nfs/dbraw/zinc/47/77/06/1440477706.db2.gz BATOUHNEUYNIPB-IJVDHGTGSA-N 2 0 348.878 3.129 20 0 EGADRP CC(C)C[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)C[N@H+](C)C(C)C ZINC001753743927 1440480244 /nfs/dbraw/zinc/48/02/44/1440480244.db2.gz XMLWJSUJUUJXCO-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001753749760 1440482112 /nfs/dbraw/zinc/48/21/12/1440482112.db2.gz PYAJZCIHVIMWJE-RBUKOAKNSA-N 2 0 337.552 3.029 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001753776363 1440486435 /nfs/dbraw/zinc/48/64/35/1440486435.db2.gz DGXJOQARPDPSGQ-VMASUYHGSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1 ZINC001753784658 1440487843 /nfs/dbraw/zinc/48/78/43/1440487843.db2.gz QFZOIKWMOPKUAL-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001753812599 1440493099 /nfs/dbraw/zinc/49/30/99/1440493099.db2.gz FPSIZGBBAYFHLO-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001753820042 1440495544 /nfs/dbraw/zinc/49/55/44/1440495544.db2.gz MURQASATYYTQDU-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001753830599 1440499480 /nfs/dbraw/zinc/49/94/80/1440499480.db2.gz WEMLCYBWNRCAQP-QGZVFWFLSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001753845438 1440504242 /nfs/dbraw/zinc/50/42/42/1440504242.db2.gz JQNCDXIKITYAMI-ICSRJNTNSA-N 2 0 345.531 3.354 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753866916 1440515117 /nfs/dbraw/zinc/51/51/17/1440515117.db2.gz WTSYJEIIBRUCJO-QGZVFWFLSA-N 2 0 349.494 3.009 20 0 EGADRP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC001753875915 1440519348 /nfs/dbraw/zinc/51/93/48/1440519348.db2.gz OOYUPBNXMBPZDY-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754060911 1440536766 /nfs/dbraw/zinc/53/67/66/1440536766.db2.gz AEYQLUADBUEGGR-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001754247620 1440557205 /nfs/dbraw/zinc/55/72/05/1440557205.db2.gz AHZHMCWTSHRGEZ-CQSZACIVSA-N 2 0 347.547 3.165 20 0 EGADRP C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001754289088 1440564659 /nfs/dbraw/zinc/56/46/59/1440564659.db2.gz QGJNHMQTIJTBJB-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cs1 ZINC001754379831 1440593144 /nfs/dbraw/zinc/59/31/44/1440593144.db2.gz GWZUZAVTNYLSKD-QZTJIDSGSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001754416729 1440597019 /nfs/dbraw/zinc/59/70/19/1440597019.db2.gz LHXFISWEWYAKOT-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001754471200 1440605424 /nfs/dbraw/zinc/60/54/24/1440605424.db2.gz WOWVHXPOXHRWNS-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754502112 1440614915 /nfs/dbraw/zinc/61/49/15/1440614915.db2.gz OUVQSHKFCYESLE-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001754544283 1440626874 /nfs/dbraw/zinc/62/68/74/1440626874.db2.gz NXBMMFCLUGCOJT-QRVBRYPASA-N 2 0 349.563 3.076 20 0 EGADRP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001754598183 1440641889 /nfs/dbraw/zinc/64/18/89/1440641889.db2.gz RPHQUYKUYOTKPN-QZTJIDSGSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001754598648 1440641956 /nfs/dbraw/zinc/64/19/56/1440641956.db2.gz KHWPRCSPSXDLEG-SJORKVTESA-N 2 0 339.568 3.370 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001754630069 1440647459 /nfs/dbraw/zinc/64/74/59/1440647459.db2.gz SNTCWAXSWAMYNG-ROUUACIJSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCC1 ZINC001754651728 1440652161 /nfs/dbraw/zinc/65/21/61/1440652161.db2.gz SWGKDTGXBRJUCS-SFHVURJKSA-N 2 0 337.552 3.314 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754673526 1440659079 /nfs/dbraw/zinc/65/90/79/1440659079.db2.gz BUSVQWXAMWWOLI-MMFUBXAXSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001754675543 1440659684 /nfs/dbraw/zinc/65/96/84/1440659684.db2.gz RCJGVJCYRNETNI-NRFANRHFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754696042 1440667029 /nfs/dbraw/zinc/66/70/29/1440667029.db2.gz VRNWQWIXPPXVFL-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2(C)CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC001754716730 1440671846 /nfs/dbraw/zinc/67/18/46/1440671846.db2.gz WZKGTFARPOOECI-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CCC2CCCC2)C1 ZINC001754734877 1440681809 /nfs/dbraw/zinc/68/18/09/1440681809.db2.gz ZLFXUKPCUJGSTL-FQEVSTJZSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001754783147 1440686863 /nfs/dbraw/zinc/68/68/63/1440686863.db2.gz JCYHMCZOFKZVDF-ZCNNSNEGSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001754833260 1440696185 /nfs/dbraw/zinc/69/61/85/1440696185.db2.gz QUWZWXWBVJNQIH-IYWMVGAKSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754921442 1440709305 /nfs/dbraw/zinc/70/93/05/1440709305.db2.gz SFBCTXFKBCIJHI-IBGZPJMESA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001754940849 1440711850 /nfs/dbraw/zinc/71/18/50/1440711850.db2.gz XVKAZKWDPJIBKK-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001754951431 1440715031 /nfs/dbraw/zinc/71/50/31/1440715031.db2.gz SYZDPGQJCHWWQW-JXFKEZNVSA-N 2 0 345.531 3.341 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027518 1440729594 /nfs/dbraw/zinc/72/95/94/1440729594.db2.gz BBHRDNCFKWXYSV-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001755038198 1440735757 /nfs/dbraw/zinc/73/57/57/1440735757.db2.gz PYYQXHWJZPYNHT-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CCC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001755136153 1440758206 /nfs/dbraw/zinc/75/82/06/1440758206.db2.gz OMGBRMGYLCNDTJ-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001755175885 1440770838 /nfs/dbraw/zinc/77/08/38/1440770838.db2.gz LCHVVZMLXILSNA-ONEGZZNKSA-N 2 0 347.547 3.143 20 0 EGADRP CC[N@H+](CCC(C)C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001755183187 1440771844 /nfs/dbraw/zinc/77/18/44/1440771844.db2.gz COOVCEPIEQVTPO-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCCC2CCCC2)CCC1 ZINC001755195737 1440776719 /nfs/dbraw/zinc/77/67/19/1440776719.db2.gz XGOYBTRONCQRIG-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208839 1440782678 /nfs/dbraw/zinc/78/26/78/1440782678.db2.gz BWXFRKBBOBBMFY-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001755275818 1440799011 /nfs/dbraw/zinc/79/90/11/1440799011.db2.gz IJRKRWBPFNPKQC-VIQWUECVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001755323978 1440820212 /nfs/dbraw/zinc/82/02/12/1440820212.db2.gz YKPWIRXTVNCEIP-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001755355352 1440829293 /nfs/dbraw/zinc/82/92/93/1440829293.db2.gz BUUFTCGQVYHXRJ-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001755367025 1440835044 /nfs/dbraw/zinc/83/50/44/1440835044.db2.gz BBXOPXVAJABKHU-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC001755368674 1440836411 /nfs/dbraw/zinc/83/64/11/1440836411.db2.gz VBDVUQPZLZJXPP-HXUWFJFHSA-N 2 0 347.547 3.334 20 0 EGADRP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001755379970 1440839205 /nfs/dbraw/zinc/83/92/05/1440839205.db2.gz WRHCVDPLXHAJLY-FXAWDEMLSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001755385025 1440840465 /nfs/dbraw/zinc/84/04/65/1440840465.db2.gz YBWQEWAGYWMXQJ-QGZVFWFLSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001755480930 1440860141 /nfs/dbraw/zinc/86/01/41/1440860141.db2.gz ROMKBACYSDIPSM-QXIUMYAXSA-N 2 0 347.547 3.234 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1F ZINC001755527186 1440866093 /nfs/dbraw/zinc/86/60/93/1440866093.db2.gz XIMPTUGBXOURBP-APWZRJJASA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)C[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001755546637 1440870731 /nfs/dbraw/zinc/87/07/31/1440870731.db2.gz DZEIPRMTFKIPHD-VQTJNVASSA-N 2 0 345.531 3.354 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001755565667 1440875522 /nfs/dbraw/zinc/87/55/22/1440875522.db2.gz CVUDMBIWZGQHSX-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CC/C=C\c2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001755658790 1440892403 /nfs/dbraw/zinc/89/24/03/1440892403.db2.gz LRLFDYQUJXRQOR-MMKKUBAISA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001755691142 1440896641 /nfs/dbraw/zinc/89/66/41/1440896641.db2.gz SSTZQBGHTUULFN-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001755692310 1440896974 /nfs/dbraw/zinc/89/69/74/1440896974.db2.gz JKKBPEHORVVTCU-RTBURBONSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CC3(CCC3)C1)CC2 ZINC001755704394 1440901868 /nfs/dbraw/zinc/90/18/68/1440901868.db2.gz LCBWVTQLGJOXBP-WIYYLYMNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001755707940 1440903032 /nfs/dbraw/zinc/90/30/32/1440903032.db2.gz KNTCNLGEZWIQNC-UFYCRDLUSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CCC[N@@H+]1CC1CC1 ZINC001755716908 1440905426 /nfs/dbraw/zinc/90/54/26/1440905426.db2.gz POKYVJNMSGYKOE-MAUKXSAKSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C/C=C/c2ccccc2)[C@H]1C ZINC001755722030 1440908045 /nfs/dbraw/zinc/90/80/45/1440908045.db2.gz DTYABLGVSFPGMT-KOXHKMTQSA-N 2 0 343.515 3.009 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755745384 1440912435 /nfs/dbraw/zinc/91/24/35/1440912435.db2.gz GUUGFANPOPSHGB-OALUTQOASA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001755756836 1440914161 /nfs/dbraw/zinc/91/41/61/1440914161.db2.gz HDDHCBOJKUORDR-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)c(C)c1 ZINC001755839125 1440930998 /nfs/dbraw/zinc/93/09/98/1440930998.db2.gz JDXXOTNBYPURRL-LJQANCHMSA-N 2 0 347.547 3.264 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001755846139 1440933403 /nfs/dbraw/zinc/93/34/03/1440933403.db2.gz NTYBPITVAXMGGW-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001755850542 1440934743 /nfs/dbraw/zinc/93/47/43/1440934743.db2.gz LPMBCLXFXMREBS-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001755869412 1440938799 /nfs/dbraw/zinc/93/87/99/1440938799.db2.gz FTLKEUGQONPGBK-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001755890190 1440941148 /nfs/dbraw/zinc/94/11/48/1440941148.db2.gz BPAXYOYEAVRSEC-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001755893296 1440942061 /nfs/dbraw/zinc/94/20/61/1440942061.db2.gz OVDBXPMIQSDEGY-HXUWFJFHSA-N 2 0 343.515 3.228 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001755893295 1440942096 /nfs/dbraw/zinc/94/20/96/1440942096.db2.gz OVDBXPMIQSDEGY-FQEVSTJZSA-N 2 0 343.515 3.228 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001755899417 1440943451 /nfs/dbraw/zinc/94/34/51/1440943451.db2.gz OEMWAKWEVPIJHQ-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP c1cnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c(C[NH+]2CCCC2)c1 ZINC001164420608 718893457 /nfs/dbraw/zinc/89/34/57/718893457.db2.gz VFCGHPAKYAEUBG-IBGZPJMESA-N 2 0 328.504 3.036 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(C[NH+](C)C)CC2)nc1 ZINC001165041924 721951028 /nfs/dbraw/zinc/95/10/28/721951028.db2.gz CCCDLELDWDRWDW-IBGZPJMESA-N 2 0 330.520 3.407 20 0 EGADRP CCCc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000125553674 222576831 /nfs/dbraw/zinc/57/68/31/222576831.db2.gz STNKGHHINBLWTQ-KRWDZBQOSA-N 2 0 339.483 3.346 20 0 EGADRP CCOc1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950245 231078660 /nfs/dbraw/zinc/07/86/60/231078660.db2.gz YVKLCDJXPVBBBH-UHFFFAOYSA-N 2 0 332.488 3.162 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000132929822 529584926 /nfs/dbraw/zinc/58/49/26/529584926.db2.gz FWRYOQFAUMLGRQ-JXFKEZNVSA-N 2 0 332.488 3.237 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(Cl)s1 ZINC000154318550 529597322 /nfs/dbraw/zinc/59/73/22/529597322.db2.gz RSPCIXXLXGMOAG-AWEZNQCLSA-N 2 0 329.941 3.470 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000165881762 530001633 /nfs/dbraw/zinc/00/16/33/530001633.db2.gz PPHJCBPKHNZUQN-SFHVURJKSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000370638869 168522727 /nfs/dbraw/zinc/52/27/27/168522727.db2.gz ZYXLYULNWCFSDL-DOTOQJQBSA-N 2 0 327.472 3.252 20 0 EGADRP COC[C@]1(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000414961520 309111682 /nfs/dbraw/zinc/11/16/82/309111682.db2.gz VKVMOSOXALEHFB-CZUORRHYSA-N 2 0 330.394 3.167 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1C ZINC000069171447 215367129 /nfs/dbraw/zinc/36/71/29/215367129.db2.gz CXGHIOKDTIFPFV-QFIPXVFZSA-N 2 0 337.511 3.382 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354421498 283208560 /nfs/dbraw/zinc/20/85/60/283208560.db2.gz FZKPVUUZAQOXBQ-ZWKOTPCHSA-N 2 0 325.541 3.220 20 0 EGADRP CN(CC1([NH+](C)C)CCC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000186991139 236088218 /nfs/dbraw/zinc/08/82/18/236088218.db2.gz FBAZGYVQSHLSHH-UHFFFAOYSA-N 2 0 343.471 3.051 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000037408285 213144902 /nfs/dbraw/zinc/14/49/02/213144902.db2.gz NPJXCJUXUXMRHA-CYBMUJFWSA-N 2 0 339.277 3.032 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccco3)s2)C[C@@H](C)O1 ZINC000193064576 240001359 /nfs/dbraw/zinc/00/13/59/240001359.db2.gz BIHAGXAPYVVOFD-HUUCEWRRSA-N 2 0 349.500 3.382 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc(F)cc1F ZINC000193003497 239972964 /nfs/dbraw/zinc/97/29/64/239972964.db2.gz APZLOJIMXDJQOY-LJQANCHMSA-N 2 0 339.474 3.422 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000348383862 299393029 /nfs/dbraw/zinc/39/30/29/299393029.db2.gz UEJLTTQHSJZUAQ-NHIYQJMISA-N 2 0 334.426 3.339 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000020004530 212093374 /nfs/dbraw/zinc/09/33/74/212093374.db2.gz FWUAWNGOVFAJOU-ZDUSSCGKSA-N 2 0 330.303 3.282 20 0 EGADRP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262644224 245093263 /nfs/dbraw/zinc/09/32/63/245093263.db2.gz JPDLICLPMGZVGW-RMJJICAUSA-N 2 0 345.531 3.197 20 0 EGADRP CCOC(=O)N1CCC([NH2+]Cc2ccccc2C[NH+](CC)CC)CC1 ZINC000079074157 217188111 /nfs/dbraw/zinc/18/81/11/217188111.db2.gz DJCCTBZJVUHJNM-UHFFFAOYSA-N 2 0 347.503 3.239 20 0 EGADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000347508374 296233478 /nfs/dbraw/zinc/23/34/78/296233478.db2.gz AYEHSGBPSAJYHD-KRWDZBQOSA-N 2 0 341.499 3.018 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000265149788 247249063 /nfs/dbraw/zinc/24/90/63/247249063.db2.gz AZNSRGDFZAGAGC-XLIONFOSSA-N 2 0 341.499 3.461 20 0 EGADRP CCOC(=O)CCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266591384 248374847 /nfs/dbraw/zinc/37/48/47/248374847.db2.gz ULJANXKLFLALNQ-LJQANCHMSA-N 2 0 332.488 3.174 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(N2CCOCC2)c1 ZINC000268705060 252155714 /nfs/dbraw/zinc/15/57/14/252155714.db2.gz BLXSBJTUYXIWLK-RTBURBONSA-N 2 0 345.531 3.438 20 0 EGADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000268821211 252270870 /nfs/dbraw/zinc/27/08/70/252270870.db2.gz LWOHIWUCFICXBR-MDZRGWNJSA-N 2 0 332.488 3.162 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000154951355 224332626 /nfs/dbraw/zinc/33/26/26/224332626.db2.gz JGEBSCTUTANVRA-SJORKVTESA-N 2 0 341.499 3.135 20 0 EGADRP Cc1ncsc1C[N@H+](CCCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000328602510 258041070 /nfs/dbraw/zinc/04/10/70/258041070.db2.gz BWCUCZJILUQKBQ-GOSISDBHSA-N 2 0 329.513 3.496 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cncc(F)c1 ZINC000165193653 533449245 /nfs/dbraw/zinc/44/92/45/533449245.db2.gz CYHJIOOASOZIPI-OAHLLOKOSA-N 2 0 331.435 3.402 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000130302601 533415800 /nfs/dbraw/zinc/41/58/00/533415800.db2.gz GVVWYQPEANOVGG-FOIQADDNSA-N 2 0 346.446 3.150 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000155143971 533498446 /nfs/dbraw/zinc/49/84/46/533498446.db2.gz YSJMBJWPSITIOW-ZWKOTPCHSA-N 2 0 338.499 3.035 20 0 EGADRP FC(F)Oc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298369573 132390398 /nfs/dbraw/zinc/39/03/98/132390398.db2.gz KSJAPVFEVUBGQM-UHFFFAOYSA-N 2 0 333.382 3.442 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246942443 141045132 /nfs/dbraw/zinc/04/51/32/141045132.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 3 0 329.532 3.491 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338022380 141075278 /nfs/dbraw/zinc/07/52/78/141075278.db2.gz MLCKYPJPOWJJMZ-RMJJICAUSA-N 2 0 343.515 3.029 20 0 EGADRP COc1cccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000171827759 144011815 /nfs/dbraw/zinc/01/18/15/144011815.db2.gz GFEYSIMLXQEGOQ-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CCSCC1 ZINC000187536397 144160456 /nfs/dbraw/zinc/16/04/56/144160456.db2.gz JUOJHTHGVKKPNY-OXJNMPFZSA-N 2 0 348.556 3.265 20 0 EGADRP CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+](CC)CC ZINC000344642854 144203889 /nfs/dbraw/zinc/20/38/89/144203889.db2.gz KVPNVFFQPYSQDH-LJQANCHMSA-N 2 0 331.504 3.019 20 0 EGADRP Cc1ccccc1C1CC([N@H+](C[C@H](O)CN(C)C2CC2)C2CC2)C1 ZINC000351514336 144272721 /nfs/dbraw/zinc/27/27/21/144272721.db2.gz OMAZFHRJCPXWTP-RRWXTXHCSA-N 2 0 328.500 3.161 20 0 EGADRP Cc1ccc(CCN(Cc2ccco2)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351516241 144273423 /nfs/dbraw/zinc/27/34/23/144273423.db2.gz FEKOIJDDOVOWOL-FQEVSTJZSA-N 2 0 342.483 3.088 20 0 EGADRP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000351730175 144298065 /nfs/dbraw/zinc/29/80/65/144298065.db2.gz LULUTNJRJRJUOJ-GOSISDBHSA-N 2 0 334.423 3.135 20 0 EGADRP CO[C@]1(C)CCC[N@H+](CCC[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000366491697 286160257 /nfs/dbraw/zinc/16/02/57/286160257.db2.gz SOYMAYJMMITEOS-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP C[N@H+](CCCNC(=O)c1cccc(-n2ccnc2)c1)C1CCCCC1 ZINC000117751565 152113326 /nfs/dbraw/zinc/11/33/26/152113326.db2.gz LNJHVNZRXIKUMQ-UHFFFAOYSA-N 2 0 340.471 3.257 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000121309949 152340694 /nfs/dbraw/zinc/34/06/94/152340694.db2.gz UEJZBCGKEPCMJF-LVCYWYKZSA-N 2 0 329.532 3.488 20 0 EGADRP Cc1nccn1CCCC[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000121366151 152346080 /nfs/dbraw/zinc/34/60/80/152346080.db2.gz PMGRRUYANKVCIT-GOSISDBHSA-N 2 0 326.488 3.178 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000192723300 153255932 /nfs/dbraw/zinc/25/59/32/153255932.db2.gz ZCMFSTHKAIQRPP-QFIPXVFZSA-N 2 0 343.559 3.500 20 0 EGADRP CCOC(=O)C1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192926644 153268658 /nfs/dbraw/zinc/26/86/58/153268658.db2.gz IROYPWHTHNRJKN-HDYDNRTBSA-N 2 0 344.499 3.220 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C12CCCC2 ZINC000344075988 286385622 /nfs/dbraw/zinc/38/56/22/286385622.db2.gz XXYLMHBOJIPAHI-AKHDSKFASA-N 2 0 338.536 3.203 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCCC2 ZINC000344076016 286385680 /nfs/dbraw/zinc/38/56/80/286385680.db2.gz XXYLMHBOJIPAHI-ZSYWTGECSA-N 2 0 338.536 3.203 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000262007814 153764465 /nfs/dbraw/zinc/76/44/65/153764465.db2.gz SEOWIJAXEOBAAP-UHFFFAOYSA-N 2 0 330.394 3.449 20 0 EGADRP COCc1cccc(OCC2(C[NH+]3CCC(C[NH3+])CC3)CCC2)c1 ZINC000262182827 153792089 /nfs/dbraw/zinc/79/20/89/153792089.db2.gz WZNVOVUAFSPUQS-UHFFFAOYSA-N 2 0 332.488 3.053 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337390205 154327581 /nfs/dbraw/zinc/32/75/81/154327581.db2.gz NCNSPBCWIOUUNH-SJORKVTESA-N 2 0 334.504 3.265 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)c2cccnc12 ZINC000348902442 156280976 /nfs/dbraw/zinc/28/09/76/156280976.db2.gz CTEXMGUZQPFZCA-UHFFFAOYSA-N 2 0 346.494 3.079 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(Cl)c1F ZINC000348901964 156282093 /nfs/dbraw/zinc/28/20/93/156282093.db2.gz BAXKQWFXFCSEJV-UHFFFAOYSA-N 2 0 329.891 3.185 20 0 EGADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000359665475 298383724 /nfs/dbraw/zinc/38/37/24/298383724.db2.gz SYRZNQGPPZSGQE-CQSZACIVSA-N 2 0 335.458 3.256 20 0 EGADRP C[N@@H+](Cc1cc(F)cc(Br)c1)CC1CC[NH+](C)CC1 ZINC000093938932 162033868 /nfs/dbraw/zinc/03/38/68/162033868.db2.gz UIQXBLLQCBQNEG-UHFFFAOYSA-N 2 0 329.257 3.362 20 0 EGADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070195 162039355 /nfs/dbraw/zinc/03/93/55/162039355.db2.gz HIIMPJFSQYXAGN-CYBMUJFWSA-N 2 0 341.293 3.340 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000105480788 162055720 /nfs/dbraw/zinc/05/57/20/162055720.db2.gz VORFWQMLUCIKQK-GXTWGEPZSA-N 2 0 328.403 3.117 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000114456274 162234502 /nfs/dbraw/zinc/23/45/02/162234502.db2.gz LZIQGZCNJSTMPX-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1csc(N2CCC([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC2)n1 ZINC000125887146 162289887 /nfs/dbraw/zinc/28/98/87/162289887.db2.gz GOURWCLEAFRMPC-MRXNPFEDSA-N 2 0 338.565 3.376 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000126297737 162299817 /nfs/dbraw/zinc/29/98/17/162299817.db2.gz GVPWIJYWWIOPMY-ZDUSSCGKSA-N 2 0 347.894 3.222 20 0 EGADRP COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)cc1 ZINC000248886240 163042239 /nfs/dbraw/zinc/04/22/39/163042239.db2.gz MFYISMFNOGGTBW-SMLSOGCJSA-N 2 0 343.515 3.047 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000248969025 163048623 /nfs/dbraw/zinc/04/86/23/163048623.db2.gz CDDWWRIFZWHSCO-PMACEKPBSA-N 2 0 328.500 3.456 20 0 EGADRP CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338542080 163267290 /nfs/dbraw/zinc/26/72/90/163267290.db2.gz WRZADWNSLMOVCZ-UHFFFAOYSA-N 2 0 345.531 3.476 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccc21 ZINC000338692085 163320073 /nfs/dbraw/zinc/32/00/73/163320073.db2.gz HZNREIKDXWUYEV-QZTJIDSGSA-N 2 0 332.488 3.346 20 0 EGADRP CCc1nc2cc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)ccc2n1C1CC1 ZINC000338793318 163350578 /nfs/dbraw/zinc/35/05/78/163350578.db2.gz NXYOJAKKYRPNKW-RHSMWYFYSA-N 2 0 326.488 3.363 20 0 EGADRP CCC[NH+](CCC)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000338937647 163394231 /nfs/dbraw/zinc/39/42/31/163394231.db2.gz WVHQIRIKZSBQLN-UHFFFAOYSA-N 2 0 345.531 3.151 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000343928880 164067649 /nfs/dbraw/zinc/06/76/49/164067649.db2.gz KPNXBXOLWSHZMV-INIZCTEOSA-N 2 0 331.485 3.251 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000343927915 164068097 /nfs/dbraw/zinc/06/80/97/164068097.db2.gz KBRQPNWEYPWLGZ-FQEVSTJZSA-N 2 0 343.446 3.402 20 0 EGADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1(C)C ZINC000343950304 164072131 /nfs/dbraw/zinc/07/21/31/164072131.db2.gz ZHUFPJMFDCZPTD-OALUTQOASA-N 2 0 349.519 3.094 20 0 EGADRP C[C@@H](CCc1ccccc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343977228 164076071 /nfs/dbraw/zinc/07/60/71/164076071.db2.gz HWVNKCZJWDZEEQ-KRWDZBQOSA-N 2 0 327.472 3.133 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344240349 164134454 /nfs/dbraw/zinc/13/44/54/164134454.db2.gz CSVXABYBINKYTO-XLIONFOSSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1nc2ccccn2c1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000345863379 164281983 /nfs/dbraw/zinc/28/19/83/164281983.db2.gz WEWNBZFWNUMAOP-UHFFFAOYSA-N 2 0 334.467 3.351 20 0 EGADRP c1ccc(C[N@@H+]2CCC[C@H](NC3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000346174601 164356159 /nfs/dbraw/zinc/35/61/59/164356159.db2.gz LAYFGTZMVNPJPK-FQEVSTJZSA-N 2 0 327.516 3.258 20 0 EGADRP CN(CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000354873782 166052605 /nfs/dbraw/zinc/05/26/05/166052605.db2.gz HCFCNKMNEULAFR-UHFFFAOYSA-N 2 0 338.499 3.366 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000352040499 165205234 /nfs/dbraw/zinc/20/52/34/165205234.db2.gz OWQLEPMZSCASFP-WDSOQIARSA-N 2 0 331.504 3.105 20 0 EGADRP c1cnn(-c2cccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)c1 ZINC000355206247 166133856 /nfs/dbraw/zinc/13/38/56/166133856.db2.gz LXQDOXXOFSXPBX-RXVVDRJESA-N 2 0 336.483 3.321 20 0 EGADRP CSC1(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCC1 ZINC000356089658 166397090 /nfs/dbraw/zinc/39/70/90/166397090.db2.gz QOOBMMHRJYOICC-HZPDHXFCSA-N 2 0 326.550 3.093 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359118299 167071816 /nfs/dbraw/zinc/07/18/16/167071816.db2.gz VFPRHYUBDKLTIS-HLNWXESRSA-N 2 0 343.515 3.029 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000359323517 167126071 /nfs/dbraw/zinc/12/60/71/167126071.db2.gz OSJIWADHVXKXNN-MRXNPFEDSA-N 2 0 342.405 3.203 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccsc3Cl)CC2)CC1 ZINC000359739714 167219629 /nfs/dbraw/zinc/21/96/29/167219629.db2.gz MWBBHHPUEARZBP-UHFFFAOYSA-N 2 0 327.925 3.050 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000359795203 167234662 /nfs/dbraw/zinc/23/46/62/167234662.db2.gz MFFHAHINVLGFQI-HNNXBMFYSA-N 2 0 345.487 3.345 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000360659077 167381316 /nfs/dbraw/zinc/38/13/16/167381316.db2.gz WQYWQMTUMUZCCM-HBMCJLEFSA-N 2 0 343.515 3.280 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCSCc1ccccc1 ZINC000366833338 168146633 /nfs/dbraw/zinc/14/66/33/168146633.db2.gz KMCHPGXNCATZBL-CEXWTWQISA-N 2 0 334.529 3.103 20 0 EGADRP CC[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000366951327 168160762 /nfs/dbraw/zinc/16/07/62/168160762.db2.gz IVVZQEISAWXYGF-UXHICEINSA-N 2 0 326.488 3.373 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)s1 ZINC000367439815 168226025 /nfs/dbraw/zinc/22/60/25/168226025.db2.gz XIFRIUHVCJZTHA-GFCCVEGCSA-N 2 0 334.489 3.024 20 0 EGADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000367703058 168260389 /nfs/dbraw/zinc/26/03/89/168260389.db2.gz MTJOTUNAIJDSRN-HNNXBMFYSA-N 2 0 327.428 3.055 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1C ZINC000158446292 225015654 /nfs/dbraw/zinc/01/56/54/225015654.db2.gz FDVADAQLKGVECH-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000158949411 225115203 /nfs/dbraw/zinc/11/52/03/225115203.db2.gz MBQVEFUPLHXOHK-QGZVFWFLSA-N 2 0 343.515 3.262 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165709181 226134030 /nfs/dbraw/zinc/13/40/30/226134030.db2.gz WQFQPQBIFBOBIA-RHSMWYFYSA-N 2 0 340.558 3.126 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000122913783 222181028 /nfs/dbraw/zinc/18/10/28/222181028.db2.gz BEDGRBDOIWEWIZ-UWVAXJGDSA-N 2 0 334.504 3.050 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000123971237 222359914 /nfs/dbraw/zinc/35/99/14/222359914.db2.gz ZUCBSULEVJGXNM-GFCCVEGCSA-N 2 0 348.293 3.421 20 0 EGADRP C[NH+]1CCC(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000073173766 264629313 /nfs/dbraw/zinc/62/93/13/264629313.db2.gz LKNZGTAGQMSSNW-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000132517615 264763155 /nfs/dbraw/zinc/76/31/55/264763155.db2.gz IEUBVUSUNPYPSN-UIFIKXQLSA-N 2 0 329.532 3.487 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000174870671 265076438 /nfs/dbraw/zinc/07/64/38/265076438.db2.gz XTZXVJPHEHFWFP-LJQANCHMSA-N 2 0 344.503 3.134 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178693987 265335529 /nfs/dbraw/zinc/33/55/29/265335529.db2.gz LDAHZKTWZBQSJF-XLIONFOSSA-N 2 0 329.532 3.272 20 0 EGADRP Cc1cc2cc(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)oc2cc1C ZINC000185866254 265504679 /nfs/dbraw/zinc/50/46/79/265504679.db2.gz SRRDXAIXQBCOSE-KRWDZBQOSA-N 2 0 329.488 3.165 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236951223 266219782 /nfs/dbraw/zinc/21/97/82/266219782.db2.gz DPCILXPREVTPHM-GJYPPUQNSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000237671236 266241015 /nfs/dbraw/zinc/24/10/15/266241015.db2.gz GRSRWPMGTZJAKP-KRWDZBQOSA-N 2 0 343.515 3.054 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)c1 ZINC000262666308 266265704 /nfs/dbraw/zinc/26/57/04/266265704.db2.gz PPGHFKGTZBYPHV-HXUWFJFHSA-N 2 0 339.483 3.153 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000273266388 267008765 /nfs/dbraw/zinc/00/87/65/267008765.db2.gz ULTKTTWEMSXYGR-YQVWRLOYSA-N 2 0 345.531 3.180 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000273264661 267009002 /nfs/dbraw/zinc/00/90/02/267009002.db2.gz UGFLDQJVVKGSKV-OAHLLOKOSA-N 2 0 346.519 3.298 20 0 EGADRP Cc1cncc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000274606318 267261536 /nfs/dbraw/zinc/26/15/36/267261536.db2.gz MLBIZYPRNXVZSS-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP Cc1cc(C)n(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000274852135 267296804 /nfs/dbraw/zinc/29/68/04/267296804.db2.gz REIDNKXTSAXMOZ-OXQOHEQNSA-N 2 0 326.488 3.000 20 0 EGADRP COCc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1OC ZINC000278340243 267990637 /nfs/dbraw/zinc/99/06/37/267990637.db2.gz CKAKJSOLAWNAIA-OAHLLOKOSA-N 2 0 332.488 3.367 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000278411424 268007617 /nfs/dbraw/zinc/00/76/17/268007617.db2.gz HREJWPIOKOGZPG-XPGWFJOJSA-N 2 0 334.479 3.492 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278521285 268031539 /nfs/dbraw/zinc/03/15/39/268031539.db2.gz SBAPNHVJHHZEKR-UHFFFAOYSA-N 2 0 341.902 3.027 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000246361150 275053197 /nfs/dbraw/zinc/05/31/97/275053197.db2.gz ILPCMPRCHHQWNY-VAMGGRTRSA-N 2 0 332.463 3.171 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000042396305 275126326 /nfs/dbraw/zinc/12/63/26/275126326.db2.gz JPXIQFDEGGUSEF-UHFFFAOYSA-N 2 0 341.293 3.102 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000044277483 275130996 /nfs/dbraw/zinc/13/09/96/275130996.db2.gz LKFPJJLWFFQUSX-UHFFFAOYSA-N 2 0 340.471 3.132 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000192522936 275224239 /nfs/dbraw/zinc/22/42/39/275224239.db2.gz RAACSUWNAKUBKK-NRFANRHFSA-N 2 0 339.483 3.017 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237868840 275232020 /nfs/dbraw/zinc/23/20/20/275232020.db2.gz BWGCFCFGGSBWPP-ZCNNSNEGSA-N 2 0 343.515 3.237 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000271895980 275239490 /nfs/dbraw/zinc/23/94/90/275239490.db2.gz FSEKNYNKVUUDLS-YUXAGFNASA-N 2 0 336.479 3.099 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000279880885 275369593 /nfs/dbraw/zinc/36/95/93/275369593.db2.gz UPTGGXNOEQKTPU-UHFFFAOYSA-N 2 0 333.907 3.156 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126675643 275751331 /nfs/dbraw/zinc/75/13/31/275751331.db2.gz HZIFYPGEBVHOQS-YLJYHZDGSA-N 2 0 345.531 3.249 20 0 EGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1-n1ccnn1 ZINC000285830120 275917588 /nfs/dbraw/zinc/91/75/88/275917588.db2.gz WWYIYAHPLGGEBZ-CQSZACIVSA-N 2 0 327.476 3.227 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000161648079 276004659 /nfs/dbraw/zinc/00/46/59/276004659.db2.gz SJAFSTHXJZQBHX-UHFFFAOYSA-N 2 0 341.499 3.283 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000286530213 276012817 /nfs/dbraw/zinc/01/28/17/276012817.db2.gz NQVAPTYQXHCHMM-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000286983909 276066715 /nfs/dbraw/zinc/06/67/15/276066715.db2.gz GTHWAKFZFHRDFH-FXAWDEMLSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000287106305 276084526 /nfs/dbraw/zinc/08/45/26/276084526.db2.gz QHQTZJKWOCUHMB-NLEAXPPASA-N 2 0 347.547 3.395 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000339008879 276100607 /nfs/dbraw/zinc/10/06/07/276100607.db2.gz ALSDZMRNTMVTTM-IBGZPJMESA-N 2 0 333.520 3.446 20 0 EGADRP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000287925507 276169664 /nfs/dbraw/zinc/16/96/64/276169664.db2.gz WLIGLKZDEWJLMM-MOPGFXCFSA-N 2 0 336.907 3.194 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000289300225 276318404 /nfs/dbraw/zinc/31/84/04/276318404.db2.gz SAKKDYXKKUSUHZ-JXFKEZNVSA-N 2 0 336.483 3.172 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1nccc2ccccc21)N1CC[NH+](C)CC1 ZINC000289554210 276357174 /nfs/dbraw/zinc/35/71/74/276357174.db2.gz CJDDVALNOIDEMX-YLJYHZDGSA-N 2 0 340.515 3.157 20 0 EGADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000289707661 276381399 /nfs/dbraw/zinc/38/13/99/276381399.db2.gz FNYLOGKXBCSIHY-VQIMIIECSA-N 2 0 329.488 3.042 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CCC1 ZINC000178574891 278358140 /nfs/dbraw/zinc/35/81/40/278358140.db2.gz DIUGDGQFZPDHCZ-QGZVFWFLSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360987560 279987242 /nfs/dbraw/zinc/98/72/42/279987242.db2.gz QYIBCQMDWKYPLZ-KBPBESRZSA-N 2 0 328.451 3.205 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000263219951 280165939 /nfs/dbraw/zinc/16/59/39/280165939.db2.gz LSEHSKLVRNLBOJ-ICSRJNTNSA-N 2 0 335.536 3.009 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000122831121 289226246 /nfs/dbraw/zinc/22/62/46/289226246.db2.gz CINFQKQHOQZXIF-MSOLQXFVSA-N 2 0 347.503 3.284 20 0 EGADRP COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)c1 ZINC000192600727 295326166 /nfs/dbraw/zinc/32/61/66/295326166.db2.gz PIWLEYCOOLCDSP-QYYYHEGRSA-N 2 0 343.515 3.047 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)oc21 ZINC000245840185 295343866 /nfs/dbraw/zinc/34/38/66/295343866.db2.gz DGWPHUSAAPUKFV-WBVHZDCISA-N 2 0 346.471 3.329 20 0 EGADRP CSC1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC[NH+](C)CC1 ZINC000353633105 295583362 /nfs/dbraw/zinc/58/33/62/295583362.db2.gz WCORXRONFZBWBV-INIZCTEOSA-N 2 0 338.492 3.456 20 0 EGADRP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357048188 298162295 /nfs/dbraw/zinc/16/22/95/298162295.db2.gz MPOLDEHHJLPWIP-AJYBTWMASA-N 2 0 343.515 3.201 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120944630 307513227 /nfs/dbraw/zinc/51/32/27/307513227.db2.gz LTYCSDLCWRQXFQ-MOPGFXCFSA-N 2 0 347.547 3.256 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C[NH+]1CCCC1 ZINC000414071471 309059091 /nfs/dbraw/zinc/05/90/91/309059091.db2.gz LVGQLHBNJYQGDN-BHIYHBOVSA-N 2 0 336.907 3.413 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414128022 309062517 /nfs/dbraw/zinc/06/25/17/309062517.db2.gz SSKZVVXBNGXBPI-FUHWJXTLSA-N 2 0 336.907 3.413 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C12CCC2 ZINC000414198748 309066485 /nfs/dbraw/zinc/06/64/85/309066485.db2.gz WJOYCKXXSXIWTN-ZYSHUDEJSA-N 2 0 332.488 3.235 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000414191381 309065849 /nfs/dbraw/zinc/06/58/49/309065849.db2.gz SLDMLVBHRKWWSE-CABCVRRESA-N 2 0 329.488 3.299 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000155659935 307818082 /nfs/dbraw/zinc/81/80/82/307818082.db2.gz DYYRKEYJZNDELO-YLJYHZDGSA-N 2 0 335.511 3.008 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000155734246 307819586 /nfs/dbraw/zinc/81/95/86/307819586.db2.gz QVOAWZXGCBBYSO-TZIWHRDSSA-N 2 0 331.548 3.178 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H](C)O1 ZINC000414271688 309069938 /nfs/dbraw/zinc/06/99/38/309069938.db2.gz XEFJCGYZJRTYFB-ADMSAAITSA-N 2 0 328.500 3.300 20 0 EGADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245202581 307946401 /nfs/dbraw/zinc/94/64/01/307946401.db2.gz TZJKIHZOMQUVMB-KZNAEPCWSA-N 2 0 343.515 3.160 20 0 EGADRP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248422480 308002921 /nfs/dbraw/zinc/00/29/21/308002921.db2.gz YPSYNBPYBYIEQO-VIYGXFRKSA-N 2 0 328.500 3.038 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)[C@@H](C)C1 ZINC000248766144 308011458 /nfs/dbraw/zinc/01/14/58/308011458.db2.gz GXFLKJPKLKMPNH-INDMIFKZSA-N 2 0 340.552 3.305 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000249087708 308018792 /nfs/dbraw/zinc/01/87/92/308018792.db2.gz GCDAHWRRHKDJMY-RTWAWAEBSA-N 2 0 329.532 3.015 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249133018 308019926 /nfs/dbraw/zinc/01/99/26/308019926.db2.gz YHWQPDFAHXCGQZ-XOKHGSTOSA-N 2 0 326.843 3.383 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250638189 308029848 /nfs/dbraw/zinc/02/98/48/308029848.db2.gz SMZDRZJDVFCHOO-GUYCJALGSA-N 2 0 337.305 3.238 20 0 EGADRP CCOc1ccccc1C[N@H+](CCCn1ccnc1)C[C@H](O)C(C)C ZINC000292859722 308073280 /nfs/dbraw/zinc/07/32/80/308073280.db2.gz GSESPEINIJFVGO-IBGZPJMESA-N 2 0 345.487 3.191 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293639084 308148500 /nfs/dbraw/zinc/14/85/00/308148500.db2.gz GYDHMKKTFTZXHY-KRWDZBQOSA-N 2 0 331.504 3.305 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1OC ZINC000293695105 308153362 /nfs/dbraw/zinc/15/33/62/308153362.db2.gz LNIWUFKCGUDWFK-QGZVFWFLSA-N 2 0 334.504 3.491 20 0 EGADRP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294276627 308206099 /nfs/dbraw/zinc/20/60/99/308206099.db2.gz SHVORKPTHWKONR-YWZLYKJASA-N 2 0 343.446 3.291 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000294902537 308269612 /nfs/dbraw/zinc/26/96/12/308269612.db2.gz FPCSTIGSCLRFRE-SNRMKQJTSA-N 2 0 335.561 3.331 20 0 EGADRP CN(Cc1cnn(CC(F)F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295297658 308312158 /nfs/dbraw/zinc/31/21/58/308312158.db2.gz JPFYYHMSEATBMB-KRWDZBQOSA-N 2 0 348.441 3.102 20 0 EGADRP CC[C@](C)(C[NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000414619693 309091865 /nfs/dbraw/zinc/09/18/65/309091865.db2.gz KRGPBMGALQDHHR-LJQANCHMSA-N 2 0 328.460 3.349 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)c1ccsc1 ZINC000296543479 308439130 /nfs/dbraw/zinc/43/91/30/308439130.db2.gz UABABDLAGSEQGL-ROUUACIJSA-N 2 0 345.512 3.256 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC[NH2+]1 ZINC000414750726 309098767 /nfs/dbraw/zinc/09/87/67/309098767.db2.gz RKAIZXJGRPOZJA-BVMVRJANSA-N 2 0 343.298 3.271 20 0 EGADRP C[C@H]1C[C@H](C[N@H+](CCCOc2ccccc2)C2CCOCC2)CC[NH2+]1 ZINC000414754574 309098978 /nfs/dbraw/zinc/09/89/78/309098978.db2.gz GHTNLNKLZCBIGM-RBUKOAKNSA-N 2 0 346.515 3.325 20 0 EGADRP COc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414788495 309101368 /nfs/dbraw/zinc/10/13/68/309101368.db2.gz WQAACEUGHILGRV-UONOGXRCSA-N 2 0 331.485 3.126 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414793737 309101840 /nfs/dbraw/zinc/10/18/40/309101840.db2.gz DURKZQSJIOWYEK-WCQYABFASA-N 2 0 340.393 3.199 20 0 EGADRP c1ccc2nc(N3CCCCC3)c(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2c1 ZINC000414828238 309104160 /nfs/dbraw/zinc/10/41/60/309104160.db2.gz INAXSLKMXBGXFB-KRWDZBQOSA-N 2 0 338.499 3.314 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414836500 309104716 /nfs/dbraw/zinc/10/47/16/309104716.db2.gz SSIAJZNUYNSWBQ-CQSZACIVSA-N 2 0 339.886 3.033 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414845153 309105165 /nfs/dbraw/zinc/10/51/65/309105165.db2.gz FIHXDXAXYDKSSA-INIZCTEOSA-N 2 0 330.451 3.108 20 0 EGADRP C[NH+](C)CC1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412133742 308970748 /nfs/dbraw/zinc/97/07/48/308970748.db2.gz RJKBXDFAGHETBC-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CCCOc1c(Br)cc(C[NH2+][C@@H](C)CC[NH3+])cc1OC ZINC000414878787 309106861 /nfs/dbraw/zinc/10/68/61/309106861.db2.gz HKBCTCRITJHQON-NSHDSACASA-N 2 0 345.281 3.073 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414899676 309108270 /nfs/dbraw/zinc/10/82/70/309108270.db2.gz CQNBGZPIMDNBKT-WBMJQRKESA-N 2 0 343.284 3.499 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC[NH2+]1 ZINC000414946787 309110708 /nfs/dbraw/zinc/11/07/08/309110708.db2.gz KCXLOSRNHZXXSI-DZGCQCFKSA-N 2 0 339.886 3.174 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414971163 309112258 /nfs/dbraw/zinc/11/22/58/309112258.db2.gz HQTOJVXWVIHLED-HXUWFJFHSA-N 2 0 346.519 3.210 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414969692 309112279 /nfs/dbraw/zinc/11/22/79/309112279.db2.gz JHBSQAVTTKFACJ-GJZGRUSLSA-N 2 0 337.895 3.487 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000415001015 309113602 /nfs/dbraw/zinc/11/36/02/309113602.db2.gz ULPHTQOYPZNXSS-TZMCWYRMSA-N 2 0 326.868 3.354 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1Cl ZINC000415010152 309114071 /nfs/dbraw/zinc/11/40/71/309114071.db2.gz FYQLXCGRXPQSRL-ZIAGYGMSSA-N 2 0 325.884 3.473 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415011996 309114340 /nfs/dbraw/zinc/11/43/40/309114340.db2.gz WTNIJKQMZGGTBF-MTFMMBMASA-N 2 0 334.479 3.312 20 0 EGADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415029445 309115289 /nfs/dbraw/zinc/11/52/89/309115289.db2.gz BBXOYRVVNIGSHT-UFYCRDLUSA-N 2 0 332.488 3.078 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415043303 309116250 /nfs/dbraw/zinc/11/62/50/309116250.db2.gz RSURLMOACCNNTP-SWLSCSKDSA-N 2 0 341.293 3.455 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C[C@@H]1C ZINC000415056285 309117156 /nfs/dbraw/zinc/11/71/56/309117156.db2.gz PSUWOMPULZLBNX-KANFNMMFSA-N 2 0 332.488 3.424 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000415058093 309117308 /nfs/dbraw/zinc/11/73/08/309117308.db2.gz SIRMQKZFVOHYHE-QGZVFWFLSA-N 2 0 343.437 3.473 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[NH2+]C1CC1 ZINC000415069541 309118096 /nfs/dbraw/zinc/11/80/96/309118096.db2.gz OVZCWQDANCNWFI-NSHDSACASA-N 2 0 329.257 3.251 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000415083040 309118981 /nfs/dbraw/zinc/11/89/81/309118981.db2.gz DXMNMMNRZOCDQL-RWMBFGLXSA-N 2 0 341.293 3.496 20 0 EGADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415082999 309119025 /nfs/dbraw/zinc/11/90/25/309119025.db2.gz MPBRZSKKLHSYLF-WCQYABFASA-N 2 0 329.257 3.108 20 0 EGADRP C[C@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]C1 ZINC000415082925 309119029 /nfs/dbraw/zinc/11/90/29/309119029.db2.gz PBEAIUJESDWTCQ-NRFANRHFSA-N 2 0 347.466 3.024 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415085062 309119141 /nfs/dbraw/zinc/11/91/41/309119141.db2.gz HTJSWFQDQIONEP-NEWSRXKRSA-N 2 0 335.536 3.068 20 0 EGADRP COc1cc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000415084192 309119174 /nfs/dbraw/zinc/11/91/74/309119174.db2.gz OKZFXRTWQQFIBC-OCCSQVGLSA-N 2 0 346.393 3.257 20 0 EGADRP COc1ccc(C2(C[NH2+]C3CC[NH2+]CC3)CCCCC2)cc1OC ZINC000415083875 309119234 /nfs/dbraw/zinc/11/92/34/309119234.db2.gz FYIBBVCNQFECEA-UHFFFAOYSA-N 2 0 332.488 3.247 20 0 EGADRP CC1(C)Cc2cc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)ccc2O1 ZINC000415104489 309120648 /nfs/dbraw/zinc/12/06/48/309120648.db2.gz GZLKOJPHADUIIQ-QUCCMNQESA-N 2 0 344.499 3.118 20 0 EGADRP Cc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000415123434 309121870 /nfs/dbraw/zinc/12/18/70/309121870.db2.gz AWFGCCJKIMXNRR-UHFFFAOYSA-N 2 0 337.511 3.387 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415123535 309121872 /nfs/dbraw/zinc/12/18/72/309121872.db2.gz LDWJHOFNLZELHF-ICSRJNTNSA-N 2 0 332.488 3.192 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415125394 309122157 /nfs/dbraw/zinc/12/21/57/309122157.db2.gz LDGYCTCUBWUVGX-OCCSQVGLSA-N 2 0 346.393 3.053 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)C1 ZINC000415130582 309122474 /nfs/dbraw/zinc/12/24/74/309122474.db2.gz XHCVKWVFCNSSKO-ZNGNGQQWSA-N 2 0 336.426 3.196 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415131066 309122734 /nfs/dbraw/zinc/12/27/34/309122734.db2.gz RUZRZAPRHUZPSO-PMACEKPBSA-N 2 0 332.488 3.194 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000415133231 309122923 /nfs/dbraw/zinc/12/29/23/309122923.db2.gz UYVPEZUQESFWJH-IRXDYDNUSA-N 2 0 342.405 3.424 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415904921 309147281 /nfs/dbraw/zinc/14/72/81/309147281.db2.gz TVGBANOXNWAHSD-UHFFFAOYSA-N 2 0 346.519 3.382 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000415909065 309147582 /nfs/dbraw/zinc/14/75/82/309147582.db2.gz RMMJDQMREGKGKG-IBGZPJMESA-N 2 0 344.503 3.182 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000415934133 309149740 /nfs/dbraw/zinc/14/97/40/309149740.db2.gz RDUAVUKYWMSNJQ-INIZCTEOSA-N 2 0 344.503 3.134 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415932949 309149761 /nfs/dbraw/zinc/14/97/61/309149761.db2.gz NOMGQLDNBZPYGX-IXDOHACOSA-N 2 0 346.519 3.284 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000416147690 309160885 /nfs/dbraw/zinc/16/08/85/309160885.db2.gz RSABZUANDRLNLP-WOJBJXKFSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000416239247 309165201 /nfs/dbraw/zinc/16/52/01/309165201.db2.gz KJPQXJVZXHXISU-FXAWDEMLSA-N 2 0 343.515 3.012 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000416849657 309183714 /nfs/dbraw/zinc/18/37/14/309183714.db2.gz YNFYRGYUAKJQIO-MOPGFXCFSA-N 2 0 348.535 3.084 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3COC(C)(C)C3)CC2)c1 ZINC000417856807 309225456 /nfs/dbraw/zinc/22/54/56/309225456.db2.gz NFRVGFGTBIWITD-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417925051 309228682 /nfs/dbraw/zinc/22/86/82/309228682.db2.gz BMMJVDQGBYTFME-VMXMFDLUSA-N 2 0 328.500 3.148 20 0 EGADRP C[C@H](CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000418011498 309231697 /nfs/dbraw/zinc/23/16/97/309231697.db2.gz WXCUFRLYOJNDRN-IEBWSBKVSA-N 2 0 346.519 3.030 20 0 EGADRP COc1ccc(C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C2CC2)cc1 ZINC000420302885 309280443 /nfs/dbraw/zinc/28/04/43/309280443.db2.gz JVQJCHCHNIWJLV-GOSISDBHSA-N 2 0 340.467 3.411 20 0 EGADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420302997 309280572 /nfs/dbraw/zinc/28/05/72/309280572.db2.gz KFEBGXBKOOSXEH-LBPRGKRZSA-N 2 0 344.286 3.253 20 0 EGADRP Cn1ccnc1C[N@H+](CCCc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420308037 309281037 /nfs/dbraw/zinc/28/10/37/309281037.db2.gz JSARYINNSNNLOX-KRWDZBQOSA-N 2 0 344.528 3.059 20 0 EGADRP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000420313599 309281144 /nfs/dbraw/zinc/28/11/44/309281144.db2.gz YDIFFWBJKFQRGG-FFGOWVMKSA-N 2 0 346.515 3.263 20 0 EGADRP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420315236 309281509 /nfs/dbraw/zinc/28/15/09/309281509.db2.gz KXDLQRCOSITWGI-KXBFYZLASA-N 2 0 337.458 3.033 20 0 EGADRP Fc1ccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420314530 309281660 /nfs/dbraw/zinc/28/16/60/309281660.db2.gz KFWTUCBIANFMRU-KBXCAEBGSA-N 2 0 328.435 3.352 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334325 309282759 /nfs/dbraw/zinc/28/27/59/309282759.db2.gz GDSKIECXPQEZCI-OKZBNKHCSA-N 2 0 343.515 3.459 20 0 EGADRP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420334740 309282874 /nfs/dbraw/zinc/28/28/74/309282874.db2.gz LDAYZZMINGJHGP-BGYRXZFFSA-N 2 0 349.478 3.370 20 0 EGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337103 309283072 /nfs/dbraw/zinc/28/30/72/309283072.db2.gz JKILTUQISVAEIO-SUMWQHHRSA-N 2 0 335.879 3.131 20 0 EGADRP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420338797 309283150 /nfs/dbraw/zinc/28/31/50/309283150.db2.gz XZVNZISFCKIFNG-HZPDHXFCSA-N 2 0 344.434 3.006 20 0 EGADRP C[N@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000420350492 309283667 /nfs/dbraw/zinc/28/36/67/309283667.db2.gz HAHANQMYXUAYHK-LJQANCHMSA-N 2 0 348.437 3.128 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000420355416 309283805 /nfs/dbraw/zinc/28/38/05/309283805.db2.gz DZVZVXHOOTYNAL-AWEZNQCLSA-N 2 0 344.286 3.300 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420361956 309284414 /nfs/dbraw/zinc/28/44/14/309284414.db2.gz NUJJRBCBEIGDLM-UYAOXDASSA-N 2 0 339.483 3.314 20 0 EGADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420384287 309285530 /nfs/dbraw/zinc/28/55/30/309285530.db2.gz RLYRMJPUHFEGLM-SJORKVTESA-N 2 0 333.867 3.178 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000420394469 309286114 /nfs/dbraw/zinc/28/61/14/309286114.db2.gz RPHATQJEORVHEI-RTBURBONSA-N 2 0 336.907 3.491 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)ccc3C)CC2)CC1 ZINC000420974378 309305463 /nfs/dbraw/zinc/30/54/63/309305463.db2.gz DLXQKUMZRAVRFG-UHFFFAOYSA-N 2 0 329.532 3.295 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000421402812 309323202 /nfs/dbraw/zinc/32/32/02/309323202.db2.gz MXPWFDFOQAKSBB-LNLFQRSKSA-N 2 0 338.536 3.203 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421820649 309341405 /nfs/dbraw/zinc/34/14/05/309341405.db2.gz NESHYGDXHHUCCH-LSDHHAIUSA-N 2 0 341.902 3.026 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000421854826 309343551 /nfs/dbraw/zinc/34/35/51/309343551.db2.gz MGKWVICPBXRBOQ-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)CCCCC1 ZINC000421857868 309343825 /nfs/dbraw/zinc/34/38/25/309343825.db2.gz QJRAVAJBPCJLCB-KRWDZBQOSA-N 2 0 349.519 3.240 20 0 EGADRP CON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000421875116 309344604 /nfs/dbraw/zinc/34/46/04/309344604.db2.gz JPNITARJVPCRRL-NJDAHSKKSA-N 2 0 343.515 3.045 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422558912 309361541 /nfs/dbraw/zinc/36/15/41/309361541.db2.gz BGTCPGIGVVTXBE-DZKIICNBSA-N 2 0 330.451 3.125 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422699388 309363472 /nfs/dbraw/zinc/36/34/72/309363472.db2.gz DFSLMEXJFMSZJX-CABCVRRESA-N 2 0 329.257 3.380 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccn2)cc1 ZINC000422706458 309363991 /nfs/dbraw/zinc/36/39/91/309363991.db2.gz FDSDLWIDDDPNQE-GJZGRUSLSA-N 2 0 329.444 3.488 20 0 EGADRP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)OCCCO2 ZINC000422709080 309364012 /nfs/dbraw/zinc/36/40/12/309364012.db2.gz YQGFOGILMJMFNC-KZNAEPCWSA-N 2 0 330.472 3.248 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccn2)cc1 ZINC000422706457 309364085 /nfs/dbraw/zinc/36/40/85/309364085.db2.gz FDSDLWIDDDPNQE-CABCVRRESA-N 2 0 329.444 3.488 20 0 EGADRP C(CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCOC1CCCCC1 ZINC000422711453 309364120 /nfs/dbraw/zinc/36/41/20/309364120.db2.gz MRHISCZEZBXIEL-VAMGGRTRSA-N 2 0 338.536 3.253 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422710155 309364140 /nfs/dbraw/zinc/36/41/40/309364140.db2.gz LAIWRVBKPVYTSF-ZFWWWQNUSA-N 2 0 340.309 3.135 20 0 EGADRP C(CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCOC1CCCCC1 ZINC000422711451 309364222 /nfs/dbraw/zinc/36/42/22/309364222.db2.gz MRHISCZEZBXIEL-SLFFLAALSA-N 2 0 338.536 3.253 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422726604 309365317 /nfs/dbraw/zinc/36/53/17/309365317.db2.gz FMYOODYQCAMENG-SOUVJXGZSA-N 2 0 326.444 3.110 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCCN(C)c1ccccc1 ZINC000422741370 309366299 /nfs/dbraw/zinc/36/62/99/309366299.db2.gz PRJXZNOKLSZBKC-NQIIRXRSSA-N 2 0 325.500 3.451 20 0 EGADRP CC(C)c1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422753997 309366583 /nfs/dbraw/zinc/36/65/83/309366583.db2.gz FQAGSIDCVDFMSU-PCCBWWKXSA-N 2 0 330.516 3.489 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422753082 309366637 /nfs/dbraw/zinc/36/66/37/309366637.db2.gz DLYRIZVMQGXQLW-IUODEOHRSA-N 2 0 329.257 3.238 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422758558 309367047 /nfs/dbraw/zinc/36/70/47/309367047.db2.gz FDRZKIFHRJSCCN-CEWLAPEOSA-N 2 0 338.499 3.499 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)CC[NH2+]CC1 ZINC000422765812 309367201 /nfs/dbraw/zinc/36/72/01/309367201.db2.gz LHIBTVIJQPUQIS-CABCVRRESA-N 2 0 344.455 3.405 20 0 EGADRP Cc1nc(C)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422791313 309368440 /nfs/dbraw/zinc/36/84/40/309368440.db2.gz USAMVKZEAWNRBW-QAPCUYQASA-N 2 0 329.469 3.105 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000422799844 309369021 /nfs/dbraw/zinc/36/90/21/309369021.db2.gz YVIWUVCVVKXPMR-LIRRHRJNSA-N 2 0 325.456 3.260 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422826865 309370543 /nfs/dbraw/zinc/37/05/43/309370543.db2.gz RHLMZLNKUSQHCU-ZACQAIPSSA-N 2 0 332.488 3.090 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422830028 309370675 /nfs/dbraw/zinc/37/06/75/309370675.db2.gz QORAOTVMBXDJRV-SPOWBLRKSA-N 2 0 340.414 3.007 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422859881 309372316 /nfs/dbraw/zinc/37/23/16/309372316.db2.gz LEHUHBANHUJBIY-MJGOQNOKSA-N 2 0 326.488 3.315 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCC[C@H]1C ZINC000422862974 309372518 /nfs/dbraw/zinc/37/25/18/309372518.db2.gz OIRYLOMQMSVXPX-VGUOSERISA-N 2 0 343.515 3.095 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCCCC[C@H]3[NH3+])cc2)n1 ZINC000422867012 309372763 /nfs/dbraw/zinc/37/27/63/309372763.db2.gz RNQUWJRHZAKEMY-UXHICEINSA-N 2 0 326.488 3.281 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422880818 309373639 /nfs/dbraw/zinc/37/36/39/309373639.db2.gz OUPKZRZWNHALOH-APWZRJJASA-N 3 0 335.923 3.269 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])CCOCC2)cc1 ZINC000422879253 309373700 /nfs/dbraw/zinc/37/37/00/309373700.db2.gz LYPXKVDEHGRLLL-FXAWDEMLSA-N 2 0 346.515 3.241 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[NH+]2CCCC2)o1 ZINC000422880844 309373743 /nfs/dbraw/zinc/37/37/43/309373743.db2.gz OYPMIIDGKWINNX-OTWHNJEPSA-N 2 0 325.456 3.459 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c2ccccc21 ZINC000422895742 309374765 /nfs/dbraw/zinc/37/47/65/309374765.db2.gz GMHUAKPHYQQJGA-KPOBHBOGSA-N 2 0 325.431 3.386 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422899578 309375076 /nfs/dbraw/zinc/37/50/76/309375076.db2.gz HRGCNCDSLXQONE-IEBWSBKVSA-N 2 0 330.378 3.310 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cn2)c1 ZINC000422900957 309375267 /nfs/dbraw/zinc/37/52/67/309375267.db2.gz REKKFWWZOVAVGM-LPHOPBHVSA-N 2 0 341.455 3.490 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422909445 309375792 /nfs/dbraw/zinc/37/57/92/309375792.db2.gz OAZUHBHXFYASIS-XEZPLFJOSA-N 2 0 327.875 3.159 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422958714 309378289 /nfs/dbraw/zinc/37/82/89/309378289.db2.gz YUYHHPBVTXKADJ-GDBMZVCRSA-N 2 0 330.501 3.115 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422958881 309378388 /nfs/dbraw/zinc/37/83/88/309378388.db2.gz ZFRHUZBDWJUCEH-RHSMWYFYSA-N 2 0 329.513 3.113 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422963253 309378543 /nfs/dbraw/zinc/37/85/43/309378543.db2.gz FJLNFSDVNLNKGQ-WMQCIHAUSA-N 2 0 340.511 3.337 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422969359 309378950 /nfs/dbraw/zinc/37/89/50/309378950.db2.gz UEHIHHGJEBXUPF-GHTZIAJQSA-N 3 0 329.532 3.396 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422978081 309379373 /nfs/dbraw/zinc/37/93/73/309379373.db2.gz GUZOUBPKRVYBOW-DZGCQCFKSA-N 2 0 334.851 3.040 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422977233 309379376 /nfs/dbraw/zinc/37/93/76/309379376.db2.gz WLIVGDUOXMGJHP-LPHOPBHVSA-N 2 0 325.456 3.138 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422991919 309379870 /nfs/dbraw/zinc/37/98/70/309379870.db2.gz QLJFQEDEKWNCRF-XKQJLSEDSA-N 2 0 344.421 3.106 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000423014946 309381003 /nfs/dbraw/zinc/38/10/03/309381003.db2.gz JOVOOXGDNNHTHJ-NDSXSNPYSA-N 2 0 326.843 3.416 20 0 EGADRP COc1cc(F)cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423019823 309381290 /nfs/dbraw/zinc/38/12/90/309381290.db2.gz XIJXAPVVUMOUMI-ICSRJNTNSA-N 2 0 342.414 3.180 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423030482 309381943 /nfs/dbraw/zinc/38/19/43/309381943.db2.gz JYCNVJQQHOCVEE-UKRRQHHQSA-N 2 0 341.293 3.107 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423030481 309381977 /nfs/dbraw/zinc/38/19/77/309381977.db2.gz JYCNVJQQHOCVEE-HIFRSBDPSA-N 2 0 341.293 3.107 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[NH2+]CC[C@@H]3C)c2)CC1 ZINC000423036152 309382184 /nfs/dbraw/zinc/38/21/84/309382184.db2.gz ZZZXNEOFASTIPT-FXAWDEMLSA-N 2 0 330.520 3.017 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423040609 309382471 /nfs/dbraw/zinc/38/24/71/309382471.db2.gz HPTHKBSCQWYVAP-OZVIIMIRSA-N 2 0 328.287 3.289 20 0 EGADRP Clc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1Cl ZINC000423042752 309382578 /nfs/dbraw/zinc/38/25/78/309382578.db2.gz LXFXBVNFFJDVFG-RBKKPWLPSA-N 2 0 340.298 3.445 20 0 EGADRP Clc1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1Cl ZINC000423042753 309382641 /nfs/dbraw/zinc/38/26/41/309382641.db2.gz LXFXBVNFFJDVFG-WJLOJVBCSA-N 2 0 340.298 3.445 20 0 EGADRP C[C@@H](NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000423046190 309382888 /nfs/dbraw/zinc/38/28/88/309382888.db2.gz FBRBITHZEMCEFE-XYPHTWIQSA-N 2 0 343.437 3.428 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423047234 309382891 /nfs/dbraw/zinc/38/28/91/309382891.db2.gz GVRRHCFHUJLZKW-DJIMGWMZSA-N 2 0 343.437 3.415 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO[C@H]1C1CC1 ZINC000423050366 309383140 /nfs/dbraw/zinc/38/31/40/309383140.db2.gz LRKZATNHKLAMGG-GFOJFJKKSA-N 2 0 342.483 3.037 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423062368 309383728 /nfs/dbraw/zinc/38/37/28/309383728.db2.gz MUSXXGLPIXOMLO-YEWWUXTCSA-N 2 0 338.442 3.119 20 0 EGADRP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423067201 309384149 /nfs/dbraw/zinc/38/41/49/309384149.db2.gz YWJOLSKNSCKEPB-BRWVUGGUSA-N 2 0 347.469 3.161 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423069673 309384241 /nfs/dbraw/zinc/38/42/41/309384241.db2.gz BMGSDQQBXGBMMB-XWPNQZOQSA-N 2 0 334.479 3.192 20 0 EGADRP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423070239 309384380 /nfs/dbraw/zinc/38/43/80/309384380.db2.gz FUPKWAMOQVUBGL-VIYGXFRKSA-N 2 0 328.500 3.460 20 0 EGADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092471 309385486 /nfs/dbraw/zinc/38/54/86/309385486.db2.gz BZJJLVNVPXTGMR-YOJMASELSA-N 2 0 332.463 3.209 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423113832 309386720 /nfs/dbraw/zinc/38/67/20/309386720.db2.gz ZHRKNIQJBXQCJZ-AUUYWEPGSA-N 2 0 346.906 3.456 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000423125135 309387151 /nfs/dbraw/zinc/38/71/51/309387151.db2.gz NASZPMDNFQSFEG-IHPCNDPISA-N 2 0 333.520 3.184 20 0 EGADRP C[C@@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)[C@H]1CCC[NH2+]1 ZINC000423128039 309387332 /nfs/dbraw/zinc/38/73/32/309387332.db2.gz UTKFVKVJYVZSRT-BXUZGUMPSA-N 2 0 336.277 3.203 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000423132290 309387700 /nfs/dbraw/zinc/38/77/00/309387700.db2.gz UHJJIRWFPQQTAX-IAAVTCLWSA-N 2 0 336.907 3.316 20 0 EGADRP Clc1ccc([C@H]2CCC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423182991 309389468 /nfs/dbraw/zinc/38/94/68/309389468.db2.gz KSCOMDWECFYBJJ-PKOBYXMFSA-N 2 0 335.923 3.251 20 0 EGADRP Fc1cc(Br)ccc1[C@H](N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423184918 309389507 /nfs/dbraw/zinc/38/95/07/309389507.db2.gz IZMFPWYKYRPOJR-IUODEOHRSA-N 2 0 327.241 3.381 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423213985 309390573 /nfs/dbraw/zinc/39/05/73/309390573.db2.gz KWJDNZBAJPRSDU-SAKMYQHLSA-N 2 0 330.472 3.146 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccs1 ZINC000423211776 309390591 /nfs/dbraw/zinc/39/05/91/309390591.db2.gz YXBLEVMXHNQSAY-KRWDZBQOSA-N 2 0 349.931 3.180 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221464 309391167 /nfs/dbraw/zinc/39/11/67/309391167.db2.gz ZWWITNXWDUXYGN-BONVTDFDSA-N 2 0 327.241 3.165 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423232570 309391537 /nfs/dbraw/zinc/39/15/37/309391537.db2.gz INUXZTMXUMSNPS-BQJUDKOJSA-N 3 0 327.516 3.019 20 0 EGADRP Brc1ccccc1C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000423250851 309392436 /nfs/dbraw/zinc/39/24/36/309392436.db2.gz RBPQJPVLSDPVCN-DYVFJYSZSA-N 2 0 337.305 3.359 20 0 EGADRP C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272180 309393385 /nfs/dbraw/zinc/39/33/85/309393385.db2.gz YWXIAZWEYBDXFR-OXJNMPFZSA-N 2 0 333.520 3.185 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000423285581 309394157 /nfs/dbraw/zinc/39/41/57/309394157.db2.gz ZJLQFLYYJSIHBT-YUTCNCBUSA-N 2 0 328.403 3.465 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000423314609 309394747 /nfs/dbraw/zinc/39/47/47/309394747.db2.gz YOKNORCXLFOVSV-RHSMWYFYSA-N 2 0 343.496 3.335 20 0 EGADRP CC1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC[NH2+]CC1 ZINC000423326950 309395316 /nfs/dbraw/zinc/39/53/16/309395316.db2.gz KVANSWXRDHYQPU-NSHDSACASA-N 2 0 329.307 3.477 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000423360260 309396921 /nfs/dbraw/zinc/39/69/21/309396921.db2.gz QGBWECNNZDUXKR-MSOLQXFVSA-N 2 0 343.515 3.290 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(I)cc1 ZINC000423378719 309397727 /nfs/dbraw/zinc/39/77/27/309397727.db2.gz ZQECMASYPLMDFW-BXUZGUMPSA-N 2 0 344.240 3.084 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC[NH2+]CC1 ZINC000423385416 309398247 /nfs/dbraw/zinc/39/82/47/309398247.db2.gz IOCQKQOPGKXFSK-ZDUSSCGKSA-N 2 0 326.868 3.015 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2cc(Br)cs2)CC[NH2+]CC1 ZINC000423400038 309398593 /nfs/dbraw/zinc/39/85/93/309398593.db2.gz FKEMGRHPNAQRGO-NSHDSACASA-N 2 0 347.322 3.177 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC[NH2+]CC1 ZINC000423405753 309398971 /nfs/dbraw/zinc/39/89/71/309398971.db2.gz ZOWHVXVTIXXSBB-CQSZACIVSA-N 2 0 342.430 3.263 20 0 EGADRP CC1CC[NH+](CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(F)cc2)CC1 ZINC000423419128 309399411 /nfs/dbraw/zinc/39/94/11/309399411.db2.gz ALXPCAIAKAECMS-JSXRDJHFSA-N 2 0 345.506 3.186 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1 ZINC000423416234 309399527 /nfs/dbraw/zinc/39/95/27/309399527.db2.gz CEYIIAMZOCYVBK-MPGHIAIKSA-N 2 0 330.451 3.003 20 0 EGADRP Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423420220 309399610 /nfs/dbraw/zinc/39/96/10/309399610.db2.gz AGTPNWPJYAFSOT-FUMNGEBKSA-N 2 0 332.463 3.414 20 0 EGADRP C[N@@H+]1CC[C@H](NC[C@H]2[NH2+]CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000423426691 309399804 /nfs/dbraw/zinc/39/98/04/309399804.db2.gz NIHQGQRRAJCNCX-NNWRFLSQSA-N 2 0 335.495 3.299 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc(OC)c1OC ZINC000423424266 309399858 /nfs/dbraw/zinc/39/98/58/309399858.db2.gz MXIWKMFEEAYQAG-KKUMJFAQSA-N 2 0 336.476 3.128 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423426068 309399863 /nfs/dbraw/zinc/39/98/63/309399863.db2.gz OZMSWFINRSIUED-BJLQDIEVSA-N 2 0 341.503 3.073 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423424195 309399864 /nfs/dbraw/zinc/39/98/64/309399864.db2.gz FMLAEVUYGFVXPD-MTFMMBMASA-N 2 0 348.918 3.408 20 0 EGADRP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423427071 309399946 /nfs/dbraw/zinc/39/99/46/309399946.db2.gz FQKSXZQNHPTMIJ-UMSONDCASA-N 2 0 327.516 3.017 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000423477909 309401866 /nfs/dbraw/zinc/40/18/66/309401866.db2.gz SPNGEDSLQFYFRG-CFVMTHIKSA-N 2 0 337.305 3.414 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423539747 309405683 /nfs/dbraw/zinc/40/56/83/309405683.db2.gz PGNKRSOMZCDSMA-AWEZNQCLSA-N 2 0 328.435 3.280 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423541360 309405691 /nfs/dbraw/zinc/40/56/91/309405691.db2.gz KQWQNMBTZRELFJ-HHXXYDBFSA-N 2 0 347.934 3.282 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1Cl ZINC000423543899 309405783 /nfs/dbraw/zinc/40/57/83/309405783.db2.gz CJELFUCVVIFSNZ-AWEZNQCLSA-N 2 0 335.879 3.265 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000423773841 309412065 /nfs/dbraw/zinc/41/20/65/309412065.db2.gz NAOMYOJYHHLCJK-HOJAQTOUSA-N 2 0 341.499 3.184 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000423779183 309412276 /nfs/dbraw/zinc/41/22/76/309412276.db2.gz UVCRRMSGBZUGFR-FQEVSTJZSA-N 2 0 337.467 3.272 20 0 EGADRP CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423854214 309416809 /nfs/dbraw/zinc/41/68/09/309416809.db2.gz VINQLFDCUXLFHO-IBGZPJMESA-N 2 0 331.504 3.130 20 0 EGADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000424077648 309428512 /nfs/dbraw/zinc/42/85/12/309428512.db2.gz ODAUMZVUUAUTQY-KXBFYZLASA-N 2 0 331.504 3.400 20 0 EGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424187356 309432298 /nfs/dbraw/zinc/43/22/98/309432298.db2.gz ILNONFQRQVIGDF-LPHOPBHVSA-N 2 0 337.552 3.253 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC000427474089 309529869 /nfs/dbraw/zinc/52/98/69/309529869.db2.gz ZUDODTSBMHSMQC-UHFFFAOYSA-N 2 0 325.541 3.076 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@H](C)[NH3+])CC3)n2)cc1F ZINC000430922614 309621029 /nfs/dbraw/zinc/62/10/29/309621029.db2.gz BNGLIAVCZALRGJ-QWHCGFSZSA-N 2 0 332.423 3.304 20 0 EGADRP CCC(CC)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433120893 309679411 /nfs/dbraw/zinc/67/94/11/309679411.db2.gz LQUUSGATUDGWJV-NRFANRHFSA-N 2 0 345.531 3.483 20 0 EGADRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)s1 ZINC000433159133 309680377 /nfs/dbraw/zinc/68/03/77/309680377.db2.gz CPJGMPFRSHYNHE-ZDUSSCGKSA-N 2 0 343.924 3.172 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000433297845 309685052 /nfs/dbraw/zinc/68/50/52/309685052.db2.gz MQNBQFBRNOHRMU-IAGOWNOFSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552473 310005994 /nfs/dbraw/zinc/00/59/94/310005994.db2.gz ZVQPHDFXUFIEPR-CTNGQTDRSA-N 2 0 329.532 3.315 20 0 EGADRP Cc1cccc(CC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000449014853 310029100 /nfs/dbraw/zinc/02/91/00/310029100.db2.gz ADOWSKJLVCLNFT-BGYRXZFFSA-N 2 0 329.532 3.028 20 0 EGADRP C[NH+](C)CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449064963 310034083 /nfs/dbraw/zinc/03/40/83/310034083.db2.gz RGQSRYPEOOGVQN-UHFFFAOYSA-N 2 0 329.257 3.376 20 0 EGADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000449087349 310036065 /nfs/dbraw/zinc/03/60/65/310036065.db2.gz GDRHDSFUQNWQJD-OAHLLOKOSA-N 2 0 330.451 3.048 20 0 EGADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc2ccccc21 ZINC000449150685 310040707 /nfs/dbraw/zinc/04/07/07/310040707.db2.gz SKSSPQONPMMIQL-IBGZPJMESA-N 2 0 342.483 3.175 20 0 EGADRP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000449163221 310041327 /nfs/dbraw/zinc/04/13/27/310041327.db2.gz VMAXABKTRXTTGX-CABCVRRESA-N 2 0 338.442 3.159 20 0 EGADRP C[C@H]1CSC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000449199315 310044021 /nfs/dbraw/zinc/04/40/21/310044021.db2.gz BUZWIOWZSRSDDG-QFBILLFUSA-N 2 0 334.529 3.045 20 0 EGADRP C[C@H]1CSC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000449199314 310044086 /nfs/dbraw/zinc/04/40/86/310044086.db2.gz BUZWIOWZSRSDDG-LPHOPBHVSA-N 2 0 334.529 3.045 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](O)Cc3cccc(F)c3)CC2)C1 ZINC000449359786 310056616 /nfs/dbraw/zinc/05/66/16/310056616.db2.gz IBBZARQHGNJDKQ-HBGVWJBISA-N 2 0 348.506 3.362 20 0 EGADRP CO[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000449499863 310067237 /nfs/dbraw/zinc/06/72/37/310067237.db2.gz MKVCAKPSTGMTAN-LAUBAEHRSA-N 2 0 345.531 3.074 20 0 EGADRP CCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000449596895 310074644 /nfs/dbraw/zinc/07/46/44/310074644.db2.gz CPTWJIQFPCJCSM-XUVXKRRUSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450333222 310116014 /nfs/dbraw/zinc/11/60/14/310116014.db2.gz YTJRWMUUZGYGER-QZTJIDSGSA-N 2 0 349.950 3.373 20 0 EGADRP Clc1ccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000450451908 310123408 /nfs/dbraw/zinc/12/34/08/310123408.db2.gz KQMVCTFPSVEBEO-UHFFFAOYSA-N 2 0 336.907 3.459 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC000450744281 310140495 /nfs/dbraw/zinc/14/04/95/310140495.db2.gz LWNNVDNWCDLSJG-UHFFFAOYSA-N 2 0 349.950 3.232 20 0 EGADRP C[C@H](C[NH2+]Cc1ccnc2c(Br)cccc12)C[NH+](C)C ZINC000451172990 310163947 /nfs/dbraw/zinc/16/39/47/310163947.db2.gz QQHKDJANXUFBMK-GFCCVEGCSA-N 2 0 336.277 3.285 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000453063754 310255534 /nfs/dbraw/zinc/25/55/34/310255534.db2.gz HXNAPKXNBKDLGD-OAQYLSRUSA-N 2 0 338.499 3.070 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453159418 310261513 /nfs/dbraw/zinc/26/15/13/310261513.db2.gz LQDQXXNLXGSBBH-VXKWHMMOSA-N 2 0 342.527 3.292 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3cnccn3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453172461 310262205 /nfs/dbraw/zinc/26/22/05/310262205.db2.gz XWHWPTKGOHERNT-ACRUOGEOSA-N 2 0 336.483 3.052 20 0 EGADRP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccncc1 ZINC000453211085 310264304 /nfs/dbraw/zinc/26/43/04/310264304.db2.gz AINJXLXLDOYASI-SFHVURJKSA-N 2 0 328.460 3.048 20 0 EGADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453237359 310266038 /nfs/dbraw/zinc/26/60/38/310266038.db2.gz PUVRQHAAPFJHIM-OYNPSCLESA-N 2 0 330.516 3.428 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+]C1CCc2ccccc2CC1 ZINC000453242079 310266277 /nfs/dbraw/zinc/26/62/77/310266277.db2.gz ZYEVSPBRVXYWDO-UHFFFAOYSA-N 2 0 339.483 3.059 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1C ZINC000453393819 310274664 /nfs/dbraw/zinc/27/46/64/310274664.db2.gz GLVJEDCUZBPJHN-INIZCTEOSA-N 2 0 331.504 3.485 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CN(Cc2ccccc2)C1 ZINC000453590195 310283086 /nfs/dbraw/zinc/28/30/86/310283086.db2.gz AYMWJHCFBYBFTM-ICSRJNTNSA-N 2 0 329.532 3.361 20 0 EGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000456345857 310399932 /nfs/dbraw/zinc/39/99/32/310399932.db2.gz IFIAIIAWFICGML-FQEVSTJZSA-N 2 0 345.531 3.473 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000458057848 310484320 /nfs/dbraw/zinc/48/43/20/310484320.db2.gz YVGVAHJBHFUXIV-GOSISDBHSA-N 2 0 348.535 3.017 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc21 ZINC000459383646 310548915 /nfs/dbraw/zinc/54/89/15/310548915.db2.gz GVJSDKMLHAVPEU-KRWDZBQOSA-N 2 0 336.483 3.091 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000489936828 311126163 /nfs/dbraw/zinc/12/61/63/311126163.db2.gz SHTOCPXCAFKTAL-TUFLPTIASA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000496345446 311699588 /nfs/dbraw/zinc/69/95/88/311699588.db2.gz SAOLZQPPMAFZDM-KLAILNCOSA-N 2 0 341.540 3.246 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496414475 311709546 /nfs/dbraw/zinc/70/95/46/311709546.db2.gz HZBGWIGVRGSPBC-INIZCTEOSA-N 2 0 333.476 3.147 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1)NC(=O)OC(C)(C)C ZINC000496558395 311730117 /nfs/dbraw/zinc/73/01/17/311730117.db2.gz HRKXOJTYENAUMX-UONOGXRCSA-N 2 0 332.448 3.116 20 0 EGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496786840 311764894 /nfs/dbraw/zinc/76/48/94/311764894.db2.gz RNAVLVKIBHXRTG-GDBMZVCRSA-N 2 0 341.540 3.198 20 0 EGADRP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000497314534 311854589 /nfs/dbraw/zinc/85/45/89/311854589.db2.gz YDESCDAPGOKPCL-SFHVURJKSA-N 2 0 345.531 3.457 20 0 EGADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505611620 312028221 /nfs/dbraw/zinc/02/82/21/312028221.db2.gz MBDBIONPGHCWJU-HKUYNNGSSA-N 2 0 345.531 3.216 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510686781 312146190 /nfs/dbraw/zinc/14/61/90/312146190.db2.gz VKNDJKDNWMKLLD-HNNXBMFYSA-N 2 0 340.458 3.111 20 0 EGADRP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190502 /nfs/dbraw/zinc/19/05/02/312190502.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 2 0 329.532 3.217 20 0 EGADRP CC[N@H+](CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190719 /nfs/dbraw/zinc/19/07/19/312190719.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 2 0 341.543 3.361 20 0 EGADRP CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513673735 312215193 /nfs/dbraw/zinc/21/51/93/312215193.db2.gz WLMYJJPPBSHBTI-UWHLTILDSA-N 2 0 330.516 3.428 20 0 EGADRP CC[NH+](CC)CCCNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000514235565 312228567 /nfs/dbraw/zinc/22/85/67/312228567.db2.gz FIXWORUYCCDLPY-OALUTQOASA-N 2 0 331.548 3.465 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000516957887 312354289 /nfs/dbraw/zinc/35/42/89/312354289.db2.gz ABZZTHIREUELPL-PKOBYXMFSA-N 2 0 341.455 3.060 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000517133750 312365156 /nfs/dbraw/zinc/36/51/56/312365156.db2.gz HEEZQANHKRDEQB-OALUTQOASA-N 2 0 331.504 3.052 20 0 EGADRP COc1ccc(Br)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000087790475 454089115 /nfs/dbraw/zinc/08/91/15/454089115.db2.gz YVLANPJZUXPTRC-NSHDSACASA-N 2 0 327.266 3.017 20 0 EGADRP COCCC1CC[NH+]([C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000527934895 312977098 /nfs/dbraw/zinc/97/70/98/312977098.db2.gz LWOVLGHMFUGFIT-QGZVFWFLSA-N 2 0 334.504 3.437 20 0 EGADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528510588 313108271 /nfs/dbraw/zinc/10/82/71/313108271.db2.gz AVDVNWRVEIUSCU-KBWCOIMZSA-N 2 0 328.500 3.103 20 0 EGADRP COCCC1CC[NH+](CC(C)C[NH+]2CCC(CCOC)CC2)CC1 ZINC000528576584 313121745 /nfs/dbraw/zinc/12/17/45/313121745.db2.gz BITARVQLKYNEBH-UHFFFAOYSA-N 2 0 340.552 3.120 20 0 EGADRP C[NH+](CCCC[N@@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000536541847 314121735 /nfs/dbraw/zinc/12/17/35/314121735.db2.gz IARYOKYVURRDIO-UHFFFAOYSA-N 2 0 328.456 3.442 20 0 EGADRP CC(C)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000537343909 314175617 /nfs/dbraw/zinc/17/56/17/314175617.db2.gz NYRJOUGSCHZNEE-OXJNMPFZSA-N 2 0 329.488 3.355 20 0 EGADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539075859 314294564 /nfs/dbraw/zinc/29/45/64/314294564.db2.gz NCFDGHWZRUVUPQ-WOJBJXKFSA-N 2 0 345.531 3.282 20 0 EGADRP COC[C@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)C ZINC000539394160 314310728 /nfs/dbraw/zinc/31/07/28/314310728.db2.gz JVVQGNUBYVERIB-ROUUACIJSA-N 2 0 332.488 3.235 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[NH+](C)C)cc1 ZINC000542486412 314549699 /nfs/dbraw/zinc/54/96/99/314549699.db2.gz HZXKSMVNNCBUDU-QAPCUYQASA-N 2 0 333.520 3.135 20 0 EGADRP C[NH+](CCC(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC000548388896 315002360 /nfs/dbraw/zinc/00/23/60/315002360.db2.gz CEPNMDVTPWSDMY-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@@H]1C[C@H](CCNC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000548875929 315057642 /nfs/dbraw/zinc/05/76/42/315057642.db2.gz ZNRRSCKRSSUEKE-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP Cc1ccc2nc(C[NH2+]CCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cn2c1 ZINC000551200100 315144627 /nfs/dbraw/zinc/14/46/27/315144627.db2.gz KLTOQVROVMZQJA-ROUUACIJSA-N 2 0 328.504 3.490 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000552053811 315193915 /nfs/dbraw/zinc/19/39/15/315193915.db2.gz YQUBZGJIMAXVOR-LMWSTFAQSA-N 2 0 326.282 3.368 20 0 EGADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Oc1ccncc1 ZINC000554795429 315349299 /nfs/dbraw/zinc/34/92/99/315349299.db2.gz DTQGQMRVKOGCFH-KSSFIOAISA-N 2 0 337.423 3.086 20 0 EGADRP CC(C)c1ccc(CC[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000554890617 315355400 /nfs/dbraw/zinc/35/54/00/315355400.db2.gz ZLBCOEORIWWZIP-UHFFFAOYSA-N 2 0 341.499 3.478 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000555559129 315390378 /nfs/dbraw/zinc/39/03/78/315390378.db2.gz IBIMULJZFLPTLB-QZTJIDSGSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000560102069 315660890 /nfs/dbraw/zinc/66/08/90/315660890.db2.gz VLWUJRARJUMDRU-KOUHRCEDSA-N 2 0 329.532 3.389 20 0 EGADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000563806141 316071928 /nfs/dbraw/zinc/07/19/28/316071928.db2.gz OMSCQQXCMWSXPQ-RXVVDRJESA-N 2 0 348.531 3.184 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000563832339 316076800 /nfs/dbraw/zinc/07/68/00/316076800.db2.gz BKXUPXNUKITUAV-SFHVURJKSA-N 2 0 345.874 3.453 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000564069599 316108780 /nfs/dbraw/zinc/10/87/80/316108780.db2.gz RUCAEASYQKTYRO-LJQANCHMSA-N 2 0 346.515 3.468 20 0 EGADRP CC(C)c1[nH+]c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccn21 ZINC000564217226 316125367 /nfs/dbraw/zinc/12/53/67/316125367.db2.gz DMNLQWCLCIQMII-AEFFLSMTSA-N 2 0 326.488 3.374 20 0 EGADRP Cc1ccncc1CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000564382521 316144514 /nfs/dbraw/zinc/14/45/14/316144514.db2.gz UCRYAAZBTRJTBS-SZPZYZBQSA-N 2 0 335.495 3.386 20 0 EGADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000564970001 316239610 /nfs/dbraw/zinc/23/96/10/316239610.db2.gz HIDLXWMOQYSDTC-HEHGZKQESA-N 2 0 326.868 3.113 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000564973725 316240033 /nfs/dbraw/zinc/24/00/33/316240033.db2.gz PHKRBNCQWCQCLU-STQMWFEESA-N 2 0 334.895 3.417 20 0 EGADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000565968540 316396167 /nfs/dbraw/zinc/39/61/67/316396167.db2.gz JAKCXENFYIQQKA-UHFFFAOYSA-N 2 0 340.556 3.013 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000566109265 316417578 /nfs/dbraw/zinc/41/75/78/316417578.db2.gz LWIKBLUUSIRKCG-OAQYLSRUSA-N 2 0 348.531 3.328 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000566732643 316519355 /nfs/dbraw/zinc/51/93/55/316519355.db2.gz FZJJQXRSIIIZNU-FQEVSTJZSA-N 2 0 336.495 3.077 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000567645836 316648551 /nfs/dbraw/zinc/64/85/51/316648551.db2.gz CMALVMYFMLJNGF-BHADISHBSA-N 2 0 326.843 3.287 20 0 EGADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000568976442 316848856 /nfs/dbraw/zinc/84/88/56/316848856.db2.gz WBGDPCJFXYLSHH-MGPUTAFESA-N 2 0 330.447 3.142 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000569095800 316865288 /nfs/dbraw/zinc/86/52/88/316865288.db2.gz ZHEDQKVSXQOTNY-NRFANRHFSA-N 2 0 348.531 3.042 20 0 EGADRP Cn1ncc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000570256255 317028582 /nfs/dbraw/zinc/02/85/82/317028582.db2.gz KTPDJBHMPLWJKE-UHFFFAOYSA-N 2 0 326.488 3.460 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000570360059 317044955 /nfs/dbraw/zinc/04/49/55/317044955.db2.gz KGMXNGPUNAIMBJ-QWHCGFSZSA-N 2 0 343.284 3.451 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000570606624 317080719 /nfs/dbraw/zinc/08/07/19/317080719.db2.gz XQLBFMATAFUQJB-ROUUACIJSA-N 2 0 331.504 3.340 20 0 EGADRP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000570772824 317104695 /nfs/dbraw/zinc/10/46/95/317104695.db2.gz WGPFUFYTPYEKHK-QGZVFWFLSA-N 2 0 329.488 3.341 20 0 EGADRP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570964271 317133567 /nfs/dbraw/zinc/13/35/67/317133567.db2.gz HFSDHLOPHYFVJM-LSDHHAIUSA-N 2 0 342.405 3.406 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000572354935 317325858 /nfs/dbraw/zinc/32/58/58/317325858.db2.gz UTJPMWXRHKEOKX-RKDXNWHRSA-N 2 0 337.208 3.266 20 0 EGADRP C[C@H]([NH2+]C1(CN[C@H]2CCCCC[C@H]2[NH3+])CCOCC1)c1ccccc1 ZINC000572510489 317349506 /nfs/dbraw/zinc/34/95/06/317349506.db2.gz ROYARBCLDRYQPW-SXLOBPIMSA-N 2 0 345.531 3.136 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C1 ZINC000573862330 317536699 /nfs/dbraw/zinc/53/66/99/317536699.db2.gz IGTCPEPBVTWKFL-ZIAGYGMSSA-N 2 0 336.277 3.332 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000574922009 317652012 /nfs/dbraw/zinc/65/20/12/317652012.db2.gz ZQBQORPEGGNUHT-MRXNPFEDSA-N 2 0 339.483 3.078 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000248827346 455732784 /nfs/dbraw/zinc/73/27/84/455732784.db2.gz MCSRHANEZVJMAB-XMTFNYHQSA-N 2 0 326.525 3.058 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261858238 455959792 /nfs/dbraw/zinc/95/97/92/455959792.db2.gz FOMYEEDXNNCKNJ-VXGBXAGGSA-N 2 0 344.286 3.381 20 0 EGADRP CCC[C@@H](C(=O)OCC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393570 323385682 /nfs/dbraw/zinc/38/56/82/323385682.db2.gz PYRDRZYHSODVLG-IBGZPJMESA-N 2 0 347.503 3.352 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382455194 324250423 /nfs/dbraw/zinc/25/04/23/324250423.db2.gz PYURCHREQPHJIS-WBVHZDCISA-N 2 0 339.524 3.144 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495122361 324377277 /nfs/dbraw/zinc/37/72/77/324377277.db2.gz KCKYNUAQRMAHKT-IAGOWNOFSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000576397486 324605944 /nfs/dbraw/zinc/60/59/44/324605944.db2.gz QCUDSNQZNKQLTC-ZCNNSNEGSA-N 2 0 345.531 3.483 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)CC1 ZINC000576458934 324618929 /nfs/dbraw/zinc/61/89/29/324618929.db2.gz CLTNLYQOEDIEIA-XVAXZDLZSA-N 2 0 330.516 3.223 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000576466025 324620720 /nfs/dbraw/zinc/62/07/20/324620720.db2.gz SYBODFHPPICCTA-UHFFFAOYSA-N 2 0 335.451 3.068 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000576695289 324665139 /nfs/dbraw/zinc/66/51/39/324665139.db2.gz QSDGRZHLHFSADV-MRXNPFEDSA-N 2 0 329.488 3.176 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000577370149 324795199 /nfs/dbraw/zinc/79/51/99/324795199.db2.gz VVWLMTMOJDQAES-BBWFWOEESA-N 2 0 346.519 3.075 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000578064538 324912089 /nfs/dbraw/zinc/91/20/89/324912089.db2.gz JIXQYYABVWKURA-QFIPXVFZSA-N 2 0 338.495 3.207 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)C1 ZINC000578143686 324926466 /nfs/dbraw/zinc/92/64/66/324926466.db2.gz YRJRFKJMIXSKAE-MSOLQXFVSA-N 2 0 341.430 3.438 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C)cc2OCC(F)(F)F)n1C ZINC000578884952 325032983 /nfs/dbraw/zinc/03/29/83/325032983.db2.gz XRDDATPATCPIQX-UHFFFAOYSA-N 2 0 327.350 3.268 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000579703531 325147524 /nfs/dbraw/zinc/14/75/24/325147524.db2.gz MMZJDOMZSFXARY-UHFFFAOYSA-N 2 0 331.504 3.363 20 0 EGADRP CCOC(=O)C1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000580363513 325239212 /nfs/dbraw/zinc/23/92/12/325239212.db2.gz BTTXANOZBWRPDT-HKUYNNGSSA-N 2 0 344.499 3.220 20 0 EGADRP CCOC(=O)C1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000580363514 325239541 /nfs/dbraw/zinc/23/95/41/325239541.db2.gz BTTXANOZBWRPDT-IEBWSBKVSA-N 2 0 344.499 3.220 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000580749496 325290980 /nfs/dbraw/zinc/29/09/80/325290980.db2.gz DZXJNALVEOXELN-AWEZNQCLSA-N 2 0 345.466 3.097 20 0 EGADRP Fc1ccc(Br)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401162406 457523472 /nfs/dbraw/zinc/52/34/72/457523472.db2.gz UASARTKGAUQUIY-UHIISALHSA-N 2 0 327.241 3.066 20 0 EGADRP [NH3+][C@@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237889588 455229787 /nfs/dbraw/zinc/22/97/87/455229787.db2.gz TUQDXSFOTAHAAS-PMACEKPBSA-N 2 0 337.467 3.030 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ncc(Br)cc1F ZINC000423537234 458455197 /nfs/dbraw/zinc/45/51/97/458455197.db2.gz CGLIASRKPISQQP-SRRSOLGSSA-N 2 0 342.256 3.022 20 0 EGADRP Fc1ccc(-c2noc(CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000183177526 455244691 /nfs/dbraw/zinc/24/46/91/455244691.db2.gz HAWHQSZAYOCAJI-DLBZAZTESA-N 2 0 344.434 3.025 20 0 EGADRP [NH3+]CCCN(c1cccc(F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000183219945 455254240 /nfs/dbraw/zinc/25/42/40/455254240.db2.gz LTTYAYTZNSMWTJ-UHFFFAOYSA-N 2 0 347.400 3.398 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623448413 460556521 /nfs/dbraw/zinc/55/65/21/460556521.db2.gz UCNHSBIUVLOTDM-UHFFFAOYSA-N 2 0 336.423 3.092 20 0 EGADRP CC(C)c1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158926743 455337677 /nfs/dbraw/zinc/33/76/77/455337677.db2.gz SIDMMNREBCXDDE-VQIMIIECSA-N 2 0 329.488 3.165 20 0 EGADRP COc1ccc(Br)c(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891439 460590848 /nfs/dbraw/zinc/59/08/48/460590848.db2.gz ZXKFYOCXNYVOJS-WBMJQRKESA-N 2 0 339.277 3.032 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)cc(C)c1 ZINC000076330791 453989227 /nfs/dbraw/zinc/98/92/27/453989227.db2.gz MVVALVAUPKQZOC-IBGZPJMESA-N 2 0 346.519 3.183 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)o1 ZINC000042752978 454023884 /nfs/dbraw/zinc/02/38/84/454023884.db2.gz WCEKUDKNMSLAHT-UHFFFAOYSA-N 2 0 343.471 3.113 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000085792433 454038519 /nfs/dbraw/zinc/03/85/19/454038519.db2.gz YNKVDRZCHJWAPH-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523721 454064300 /nfs/dbraw/zinc/06/43/00/454064300.db2.gz ZWVAXJOJFXKUFV-MRXNPFEDSA-N 2 0 349.494 3.009 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000089427128 454147732 /nfs/dbraw/zinc/14/77/32/454147732.db2.gz DUDBUYOIKJFACX-NRFANRHFSA-N 3 0 329.532 3.315 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000057833886 454150583 /nfs/dbraw/zinc/15/05/83/454150583.db2.gz DVAHLQHAEYSNOQ-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044593 454265810 /nfs/dbraw/zinc/26/58/10/454265810.db2.gz BHOXZBXGJFLTEO-FMKPAKJESA-N 2 0 330.501 3.066 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000090121712 454282870 /nfs/dbraw/zinc/28/28/70/454282870.db2.gz LNWXSSXOXWTYHM-HNNXBMFYSA-N 2 0 345.512 3.199 20 0 EGADRP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090522645 454316253 /nfs/dbraw/zinc/31/62/53/454316253.db2.gz RQGJKJKJCRVKNJ-PVAVHDDUSA-N 2 0 328.566 3.264 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnccn3)CC2)cc1 ZINC000120675211 454334112 /nfs/dbraw/zinc/33/41/12/454334112.db2.gz YMEXKDNVQBSKRH-MRXNPFEDSA-N 2 0 340.471 3.048 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1 ZINC000072877564 454355693 /nfs/dbraw/zinc/35/56/93/454355693.db2.gz GPDLAPOAYSJUEL-LJQANCHMSA-N 2 0 349.438 3.289 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](CN3CCOCC3)C1)CCC2 ZINC000132819378 454368341 /nfs/dbraw/zinc/36/83/41/454368341.db2.gz BPRMLSVDDZJFJU-UZLBHIALSA-N 2 0 332.463 3.247 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000121049055 454384139 /nfs/dbraw/zinc/38/41/39/454384139.db2.gz OQCDLDNTXUQUDC-UONOGXRCSA-N 2 0 329.941 3.326 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000121178139 454402448 /nfs/dbraw/zinc/40/24/48/454402448.db2.gz CXAHFFQYXHGDSC-QZTJIDSGSA-N 2 0 329.532 3.100 20 0 EGADRP C[NH+]1CCC(CCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000073228650 454410353 /nfs/dbraw/zinc/41/03/53/454410353.db2.gz MNJYAYWGSYBPRF-UHFFFAOYSA-N 2 0 338.455 3.287 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000121306650 454419046 /nfs/dbraw/zinc/41/90/46/454419046.db2.gz IJEIGAPKQXMBTA-RBUKOAKNSA-N 2 0 347.547 3.398 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC000121342499 454423780 /nfs/dbraw/zinc/42/37/80/454423780.db2.gz OHBMKEHYXRAWNJ-NRFANRHFSA-N 2 0 345.531 3.296 20 0 EGADRP COc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000091343532 454429146 /nfs/dbraw/zinc/42/91/46/454429146.db2.gz ZYRIZKVRAANZBJ-UWJYYQICSA-N 2 0 346.515 3.483 20 0 EGADRP CC(C)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000063619114 454430456 /nfs/dbraw/zinc/43/04/56/454430456.db2.gz IKLMXPGQPNJSTM-HXUWFJFHSA-N 2 0 343.515 3.019 20 0 EGADRP c1ccc2c(c1)CCN(CC[NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000121727573 454469518 /nfs/dbraw/zinc/46/95/18/454469518.db2.gz VYJJXAWGOVQTNM-UHFFFAOYSA-N 2 0 341.543 3.431 20 0 EGADRP O=[S@@](CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000121734778 454471026 /nfs/dbraw/zinc/47/10/26/454471026.db2.gz PPBLCDSWRBWREX-XMMPIXPASA-N 2 0 348.556 3.382 20 0 EGADRP C[C@@H]1[C@H]([NH2+]Cc2ccc3nccnc3c2)CCN1Cc1ccccc1 ZINC000634980812 460639011 /nfs/dbraw/zinc/63/90/11/460639011.db2.gz OBIUBDQTFRACED-VQIMIIECSA-N 2 0 332.451 3.382 20 0 EGADRP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564890 454498509 /nfs/dbraw/zinc/49/85/09/454498509.db2.gz VKOUCLUCMVBGBR-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP COc1ccsc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587130 454590826 /nfs/dbraw/zinc/59/08/26/454590826.db2.gz UJHPYCXOYYRWSL-GJZGRUSLSA-N 2 0 338.517 3.078 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000104826837 454606060 /nfs/dbraw/zinc/60/60/60/454606060.db2.gz DDEKDBIBAVWPMS-IBGZPJMESA-N 2 0 331.504 3.059 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000080645799 454611501 /nfs/dbraw/zinc/61/15/01/454611501.db2.gz PRINMGLMAYCLIN-QUCCMNQESA-N 2 0 340.552 3.405 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123600092 454656707 /nfs/dbraw/zinc/65/67/07/454656707.db2.gz CSCNCJXQTKPLQY-LMMKCTJWSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c(Cl)c1 ZINC000635004752 460648447 /nfs/dbraw/zinc/64/84/47/460648447.db2.gz DWNHTOVPNNPAQG-RBSFLKMASA-N 2 0 337.895 3.473 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161797925 454724535 /nfs/dbraw/zinc/72/45/35/454724535.db2.gz WRUKZTBUIMNBCA-UHFFFAOYSA-N 2 0 332.488 3.302 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc2c(c1)CCC2 ZINC000124375551 454726110 /nfs/dbraw/zinc/72/61/10/454726110.db2.gz LBDXIXXWJAVKHB-QGZVFWFLSA-N 2 0 329.532 3.100 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)ccc1F ZINC000124378411 454726370 /nfs/dbraw/zinc/72/63/70/454726370.db2.gz LCGBHGFVYUMFMA-IBGZPJMESA-N 2 0 339.474 3.279 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@@H+]1C ZINC000153027072 454753504 /nfs/dbraw/zinc/75/35/04/454753504.db2.gz WGIBINUPBJKMOQ-HZPDHXFCSA-N 2 0 339.524 3.286 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124687977 454760858 /nfs/dbraw/zinc/76/08/58/454760858.db2.gz DSUNOAMJWIFKFP-HXGPAPNJSA-N 2 0 329.532 3.215 20 0 EGADRP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000153117179 454762144 /nfs/dbraw/zinc/76/21/44/454762144.db2.gz FHUWNWQUJZPZCQ-IAGOWNOFSA-N 2 0 331.847 3.024 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000635010576 460653883 /nfs/dbraw/zinc/65/38/83/460653883.db2.gz KIBLYSYKESUCIW-UKRRQHHQSA-N 2 0 329.488 3.345 20 0 EGADRP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000137587808 454782921 /nfs/dbraw/zinc/78/29/21/454782921.db2.gz LZJLEAFIJCTGEF-IBGZPJMESA-N 2 0 343.515 3.440 20 0 EGADRP CCOc1ccccc1NC(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000137693110 454783728 /nfs/dbraw/zinc/78/37/28/454783728.db2.gz GHXLXGBBGXJFMV-QGZVFWFLSA-N 2 0 347.503 3.220 20 0 EGADRP COc1ccccc1[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000153367404 454786828 /nfs/dbraw/zinc/78/68/28/454786828.db2.gz OCAPAWGROOCEQG-LFGUQSLTSA-N 2 0 345.531 3.150 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000138088269 454788281 /nfs/dbraw/zinc/78/82/81/454788281.db2.gz JVGGGQVAGNXXHA-ROUUACIJSA-N 2 0 326.488 3.436 20 0 EGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000138082782 454788814 /nfs/dbraw/zinc/78/88/14/454788814.db2.gz IRFWHKFXWPWZEU-MSOLQXFVSA-N 2 0 326.488 3.293 20 0 EGADRP CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000162810079 454801907 /nfs/dbraw/zinc/80/19/07/454801907.db2.gz WWVHRUGXFIWKEF-GWJPWWOOSA-N 2 0 340.577 3.453 20 0 EGADRP Cn1cccc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176984029 454808006 /nfs/dbraw/zinc/80/80/06/454808006.db2.gz YRZIOMYSDWERGZ-UHFFFAOYSA-N 2 0 341.499 3.186 20 0 EGADRP CCN(C)c1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000191296700 455474844 /nfs/dbraw/zinc/47/48/44/455474844.db2.gz ZIXXYMLIDUKDDA-UHFFFAOYSA-N 2 0 332.536 3.385 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000266861962 455465251 /nfs/dbraw/zinc/46/52/51/455465251.db2.gz VAMXGHYYKVMANW-MSOLQXFVSA-N 2 0 333.520 3.134 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc2ccccc21)CN1CC[NH+](C)CC1 ZINC000177293897 454847119 /nfs/dbraw/zinc/84/71/19/454847119.db2.gz FDDUJWCVNNGSLG-ROUUACIJSA-N 2 0 325.500 3.374 20 0 EGADRP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000177301885 454849034 /nfs/dbraw/zinc/84/90/34/454849034.db2.gz KVXWKNCXCFXYLH-LAUBAEHRSA-N 2 0 341.474 3.141 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000163564625 454856191 /nfs/dbraw/zinc/85/61/91/454856191.db2.gz MKEHWSXOEXELDZ-UHFFFAOYSA-N 2 0 339.474 3.348 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1=O ZINC000177426396 454862342 /nfs/dbraw/zinc/86/23/42/454862342.db2.gz UMZRCUQXOXPFLX-YLJYHZDGSA-N 2 0 343.515 3.017 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154371635 454889760 /nfs/dbraw/zinc/88/97/60/454889760.db2.gz OBBPSGTUWSLPRA-KRWDZBQOSA-N 2 0 335.561 3.477 20 0 EGADRP Cc1ccc(CC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000154540524 454905539 /nfs/dbraw/zinc/90/55/39/454905539.db2.gz RMPQGLJSRRMGAA-BGYRXZFFSA-N 2 0 329.532 3.028 20 0 EGADRP CCC(CC)(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000154560521 454907331 /nfs/dbraw/zinc/90/73/31/454907331.db2.gz WGMXMHJLUBXRRL-CABCVRRESA-N 2 0 327.513 3.142 20 0 EGADRP CCOc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000126664169 454909852 /nfs/dbraw/zinc/90/98/52/454909852.db2.gz FITPQWPMSXVACL-LSDHHAIUSA-N 2 0 340.414 3.403 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177869786 454914203 /nfs/dbraw/zinc/91/42/03/454914203.db2.gz JYWAEDULMQJBFD-VQIMIIECSA-N 2 0 326.488 3.186 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246420326 455487597 /nfs/dbraw/zinc/48/75/97/455487597.db2.gz NDDCKNQXOLCNQU-RYGJVYDSSA-N 2 0 332.488 3.114 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000126817355 454920413 /nfs/dbraw/zinc/92/04/13/454920413.db2.gz BBPSBBSPRBYPOK-CALCHBBNSA-N 2 0 327.472 3.214 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000168640902 454926906 /nfs/dbraw/zinc/92/69/06/454926906.db2.gz NIKMAINPTNYCLT-SCTDSRPQSA-N 2 0 345.531 3.339 20 0 EGADRP COCc1ccc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000126997085 454931443 /nfs/dbraw/zinc/93/14/43/454931443.db2.gz LVIQUQZGPBPZMC-SFHVURJKSA-N 2 0 328.456 3.080 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000191502219 455492498 /nfs/dbraw/zinc/49/24/98/455492498.db2.gz VQWCXTMNLSWTEN-AZUAARDMSA-N 2 0 347.522 3.420 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000114455422 454955588 /nfs/dbraw/zinc/95/55/88/454955588.db2.gz WATYPOKFHRUGKL-LJQANCHMSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000127421345 454962723 /nfs/dbraw/zinc/96/27/23/454962723.db2.gz MBRPIEGGTWIMEY-STQMWFEESA-N 2 0 330.303 3.280 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178717635 454969201 /nfs/dbraw/zinc/96/92/01/454969201.db2.gz RORPPXGBUXRWOJ-GJZGRUSLSA-N 2 0 330.476 3.081 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000127581088 454979109 /nfs/dbraw/zinc/97/91/09/454979109.db2.gz RFBHQEDRUXEARR-OLZOCXBDSA-N 2 0 330.303 3.280 20 0 EGADRP Cc1ccc2ncc(C[NH2+]C[C@@](O)(c3ccccc3)C(F)(F)F)n2c1 ZINC000178892071 454987834 /nfs/dbraw/zinc/98/78/34/454987834.db2.gz MLIXRSYHZSWNPO-QGZVFWFLSA-N 2 0 349.356 3.182 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)N1CC[NH+](C)CC1 ZINC000127779319 454997109 /nfs/dbraw/zinc/99/71/09/454997109.db2.gz KFELJUKCRIZQBZ-SJORKVTESA-N 2 0 327.472 3.233 20 0 EGADRP COCc1ccc(C[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)o1 ZINC000127799218 454998920 /nfs/dbraw/zinc/99/89/20/454998920.db2.gz YHXQITCWMFUVFF-UHFFFAOYSA-N 2 0 347.459 3.033 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000171307192 455060232 /nfs/dbraw/zinc/06/02/32/455060232.db2.gz CQCYQMZRXZZCKH-GASCZTMLSA-N 2 0 338.442 3.286 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129279951 455104530 /nfs/dbraw/zinc/10/45/30/455104530.db2.gz NESNMIKPUJGJIH-JKSUJKDBSA-N 2 0 335.458 3.115 20 0 EGADRP Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000156336255 455106534 /nfs/dbraw/zinc/10/65/34/455106534.db2.gz VALYVJNDKGZBJX-SFHVURJKSA-N 2 0 344.503 3.181 20 0 EGADRP COC(=O)c1sc2ccccc2c1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152411950 455115357 /nfs/dbraw/zinc/11/53/57/455115357.db2.gz LEZARKXMABXVJN-CQSZACIVSA-N 2 0 346.496 3.462 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000156417182 455115878 /nfs/dbraw/zinc/11/58/78/455115878.db2.gz ITCMSUIJOHNJMV-LPHOPBHVSA-N 2 0 329.444 3.244 20 0 EGADRP COc1ccc([C@H](CN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000156646098 455141081 /nfs/dbraw/zinc/14/10/81/455141081.db2.gz YXFOXFIKUODBDI-SEONNTABSA-N 2 0 345.531 3.150 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172416709 455152352 /nfs/dbraw/zinc/15/23/52/455152352.db2.gz WOPNQWVGVVUOGV-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP C[C@H]1C[C@@H]([N@H+](C)CCCc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000156970779 455159459 /nfs/dbraw/zinc/15/94/59/455159459.db2.gz NFJXHBXQAKRBPO-RXVVDRJESA-N 2 0 340.515 3.338 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1)N1CC[NH+](C)CC1 ZINC000157014594 455161580 /nfs/dbraw/zinc/16/15/80/455161580.db2.gz SJZPKTXRLLICRD-IRXDYDNUSA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182819720 455171698 /nfs/dbraw/zinc/17/16/98/455171698.db2.gz YMBIELGZOCBPMS-APWZRJJASA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000263964955 455174078 /nfs/dbraw/zinc/17/40/78/455174078.db2.gz RETZCBYARSVGFV-MRXNPFEDSA-N 2 0 349.544 3.150 20 0 EGADRP C[C@@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000237353558 455175962 /nfs/dbraw/zinc/17/59/62/455175962.db2.gz SLHSIVLMJPXHOP-OALUTQOASA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000237407920 455183002 /nfs/dbraw/zinc/18/30/02/455183002.db2.gz FXCWTOUVMIOUAX-QGZVFWFLSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237520013 455191605 /nfs/dbraw/zinc/19/16/05/455191605.db2.gz ZULXUFNJIDUKDJ-MAUKXSAKSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@@H](CCNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237560087 455194069 /nfs/dbraw/zinc/19/40/69/455194069.db2.gz WICURCQDJAYDAO-FXAWDEMLSA-N 2 0 339.483 3.103 20 0 EGADRP C[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237598434 455197626 /nfs/dbraw/zinc/19/76/26/455197626.db2.gz VFNWOVFHILRXCA-PZJWPPBQSA-N 2 0 329.532 3.363 20 0 EGADRP Fc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000182972440 455201579 /nfs/dbraw/zinc/20/15/79/455201579.db2.gz HEXGSLMLOLXRIQ-UHFFFAOYSA-N 2 0 338.442 3.289 20 0 EGADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182993769 455205787 /nfs/dbraw/zinc/20/57/87/455205787.db2.gz CWUKCCJIDPCBJN-FOIQADDNSA-N 2 0 332.463 3.294 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)C1 ZINC000237675632 455206064 /nfs/dbraw/zinc/20/60/64/455206064.db2.gz PYLJYVZPBAAGJP-INIZCTEOSA-N 2 0 329.488 3.247 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000157662335 455218632 /nfs/dbraw/zinc/21/86/32/455218632.db2.gz GAPBTCWPVPUFOA-BBTUJRGHSA-N 3 0 329.532 3.491 20 0 EGADRP CN(C(=O)C[C@@H]1C=CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245737280 455369499 /nfs/dbraw/zinc/36/94/99/455369499.db2.gz TYXHMSWRNUBONY-RLLQIKCJSA-N 2 0 347.547 3.138 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000190956237 455414250 /nfs/dbraw/zinc/41/42/50/455414250.db2.gz ONECEPSTTMJTLN-QGZVFWFLSA-N 2 0 344.421 3.340 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1csc(Cl)c1)N1CC[NH+](C)CC1 ZINC000191158057 455454745 /nfs/dbraw/zinc/45/47/45/455454745.db2.gz LOTUWGDNIIZUGC-DZGCQCFKSA-N 2 0 329.941 3.324 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000182277567 455478502 /nfs/dbraw/zinc/47/85/02/455478502.db2.gz DXLFFQMSBZEIKV-ZHALLVOQSA-N 2 0 332.488 3.218 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000191488590 455490173 /nfs/dbraw/zinc/49/01/73/455490173.db2.gz MQZPYHIQWOIJBX-UHFFFAOYSA-N 2 0 342.487 3.413 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000247037077 455549601 /nfs/dbraw/zinc/54/96/01/455549601.db2.gz LNKPSNUFJLEIOI-BPQIPLTHSA-N 2 0 347.503 3.325 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc[nH]c2)cc1OC ZINC000267925088 455565087 /nfs/dbraw/zinc/56/50/87/455565087.db2.gz KHGDEEKIEFLLTE-UHFFFAOYSA-N 2 0 331.460 3.034 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000247267560 455580940 /nfs/dbraw/zinc/58/09/40/455580940.db2.gz ZRDFPYZBBPCXBP-PZJWPPBQSA-N 2 0 346.563 3.391 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000182779438 455585784 /nfs/dbraw/zinc/58/57/84/455585784.db2.gz QFFGYQYJZYKPAB-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)[C@@H](C)C1 ZINC000247332129 455588896 /nfs/dbraw/zinc/58/88/96/455588896.db2.gz MQPNNBMIWNRHRA-QKLQHJQFSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000284192193 455649792 /nfs/dbraw/zinc/64/97/92/455649792.db2.gz BRIOYPPPMHHDQP-KRWDZBQOSA-N 2 0 348.450 3.071 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(OC)cc1 ZINC000271497333 455660685 /nfs/dbraw/zinc/66/06/85/455660685.db2.gz LHSOKWCYBHCPSL-XUVXKRRUSA-N 2 0 332.488 3.114 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000247981588 455664402 /nfs/dbraw/zinc/66/44/02/455664402.db2.gz MWRLAULIQMHGBW-DEPWHIHDSA-N 2 0 347.547 3.396 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000247995887 455668092 /nfs/dbraw/zinc/66/80/92/455668092.db2.gz JVWQFCSNZFMYLJ-AOIWGVFYSA-N 2 0 334.504 3.014 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248003963 455669407 /nfs/dbraw/zinc/66/94/07/455669407.db2.gz KQFOZYSJXQPYDM-RLFYNMQTSA-N 2 0 349.906 3.392 20 0 EGADRP CN(c1ccccc1C[NH2+]CC1CCSCC1)C1CC[NH+](C)CC1 ZINC000268387519 455669748 /nfs/dbraw/zinc/66/97/48/455669748.db2.gz WJLMSDPKDHSCNI-UHFFFAOYSA-N 2 0 347.572 3.450 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000248021158 455670021 /nfs/dbraw/zinc/67/00/21/455670021.db2.gz NSCYDFIXAJYENQ-IAGOWNOFSA-N 2 0 327.476 3.182 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)c1 ZINC000284352126 455673100 /nfs/dbraw/zinc/67/31/00/455673100.db2.gz MKMXQJSPAIIXNE-UHFFFAOYSA-N 2 0 342.487 3.004 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277818748 455676806 /nfs/dbraw/zinc/67/68/06/455676806.db2.gz QQMNYNFSSOJARZ-FQEVSTJZSA-N 2 0 330.516 3.178 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000268442947 455684305 /nfs/dbraw/zinc/68/43/05/455684305.db2.gz DECNYDRTCXQBHN-YSIASYRMSA-N 2 0 345.531 3.084 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000635136795 460685922 /nfs/dbraw/zinc/68/59/22/460685922.db2.gz YTNPXLWNHZRLDU-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCO2 ZINC000248177163 455693924 /nfs/dbraw/zinc/69/39/24/455693924.db2.gz VTIWFDBATKTFJH-ICSRJNTNSA-N 2 0 346.515 3.344 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)OC(C)C ZINC000186378764 455756794 /nfs/dbraw/zinc/75/67/94/455756794.db2.gz XGECIARYQNGERZ-HNAWSFBYSA-N 2 0 334.504 3.480 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(Cl)c1 ZINC000271817144 455772786 /nfs/dbraw/zinc/77/27/86/455772786.db2.gz BSBYXJLRVIGFBS-AWEZNQCLSA-N 2 0 335.879 3.217 20 0 EGADRP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000249881351 455781428 /nfs/dbraw/zinc/78/14/28/455781428.db2.gz HQDJUGKPKBDFJR-LILSUDLASA-N 2 0 342.527 3.428 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000186519956 455785245 /nfs/dbraw/zinc/78/52/45/455785245.db2.gz VBEDHZGYSUVCGF-LEWJYISDSA-N 2 0 339.483 3.279 20 0 EGADRP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000194017768 455792784 /nfs/dbraw/zinc/79/27/84/455792784.db2.gz QLBGIGKAOTVPCO-GOSISDBHSA-N 2 0 345.531 3.169 20 0 EGADRP Cc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000269122056 455793966 /nfs/dbraw/zinc/79/39/66/455793966.db2.gz XWFZWZYVDAICPQ-INIZCTEOSA-N 2 0 328.456 3.396 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186566366 455794237 /nfs/dbraw/zinc/79/42/37/455794237.db2.gz BVRAVBVPOCAHCF-QUCCMNQESA-N 2 0 329.532 3.296 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000271876811 455795334 /nfs/dbraw/zinc/79/53/34/455795334.db2.gz OGLRZKCINGMPNA-KRWDZBQOSA-N 2 0 335.289 3.158 20 0 EGADRP COC[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000285234245 455809107 /nfs/dbraw/zinc/80/91/07/455809107.db2.gz PKEOAXKWLUCPFG-JSRAGOMMSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@@H](CC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000194303641 455826534 /nfs/dbraw/zinc/82/65/34/455826534.db2.gz HLPGCECCIQFNFV-SFHVURJKSA-N 2 0 329.532 3.328 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2nccn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209586 455878016 /nfs/dbraw/zinc/87/80/16/455878016.db2.gz PYTVYUIQSNHJOH-HKUYNNGSSA-N 2 0 334.467 3.335 20 0 EGADRP Cc1nccn1CCC[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000270248560 455911984 /nfs/dbraw/zinc/91/19/84/455911984.db2.gz RORPBSVIQDHUQA-VIFPVBQESA-N 2 0 329.267 3.151 20 0 EGADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(C)c1 ZINC000285854656 455928430 /nfs/dbraw/zinc/92/84/30/455928430.db2.gz ZGCOCGUGSWQTPW-NXEWRWPSSA-N 2 0 343.515 3.119 20 0 EGADRP COc1cccc([C@H](CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)[NH+](C)C)c1 ZINC000261753487 455940770 /nfs/dbraw/zinc/94/07/70/455940770.db2.gz UZGZVEGWHFKWRF-KPFFTGBYSA-N 2 0 333.520 3.198 20 0 EGADRP C[C@@]1(C[NH3+])CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000261757203 455942244 /nfs/dbraw/zinc/94/22/44/455942244.db2.gz QPXBDVPKAMKHGO-SFTDATJTSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261789284 455949022 /nfs/dbraw/zinc/94/90/22/455949022.db2.gz QBLDMABKBCSVDT-NSISKUIASA-N 2 0 343.515 3.052 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000261803927 455951484 /nfs/dbraw/zinc/95/14/84/455951484.db2.gz MVKWVFRAPBBJMX-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CCOc1cc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OC(F)F ZINC000261812908 455952469 /nfs/dbraw/zinc/95/24/69/455952469.db2.gz VUEIKWSCAUTIQZ-OCCSQVGLSA-N 2 0 328.403 3.246 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](COC)C2CCOCC2)c1 ZINC000187792699 455953349 /nfs/dbraw/zinc/95/33/49/455953349.db2.gz LVICKDFPCOAFDR-FQEVSTJZSA-N 2 0 334.504 3.060 20 0 EGADRP CCC[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC[NH2+]CC1 ZINC000261830350 455956596 /nfs/dbraw/zinc/95/65/96/455956596.db2.gz XNGJYGCLYOHSDK-UHFFFAOYSA-N 2 0 338.879 3.465 20 0 EGADRP OC[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000272476424 455962954 /nfs/dbraw/zinc/96/29/54/455962954.db2.gz AKEQNYXWOIWWOJ-CIAFKFPVSA-N 2 0 336.479 3.220 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000270497226 455968582 /nfs/dbraw/zinc/96/85/82/455968582.db2.gz LUBRJGRLVYKVRY-UHFFFAOYSA-N 2 0 336.863 3.411 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[NH+]1CCCCC1 ZINC000286078290 455972957 /nfs/dbraw/zinc/97/29/57/455972957.db2.gz LJMRPIGXMRVYCL-IRXDYDNUSA-N 2 0 327.476 3.182 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1ccccc1-n1ccnn1)[NH+]1CCCCC1 ZINC000286078285 455973061 /nfs/dbraw/zinc/97/30/61/455973061.db2.gz LJMRPIGXMRVYCL-IAGOWNOFSA-N 2 0 327.476 3.182 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188060719 455990267 /nfs/dbraw/zinc/99/02/67/455990267.db2.gz HVRCZWLMOZNEPY-HNNXBMFYSA-N 2 0 341.455 3.043 20 0 EGADRP C[C@H]([NH2+]CCCOC[C@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272576576 456000910 /nfs/dbraw/zinc/00/09/10/456000910.db2.gz VTOFJZDOAWJIBX-CEWLAPEOSA-N 2 0 346.515 3.072 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000286295062 456018053 /nfs/dbraw/zinc/01/80/53/456018053.db2.gz WJUGOIGJBAKAIF-PCCBWWKXSA-N 2 0 338.499 3.201 20 0 EGADRP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000286295067 456018397 /nfs/dbraw/zinc/01/83/97/456018397.db2.gz WJUGOIGJBAKAIF-PWRODBHTSA-N 2 0 338.499 3.201 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)[C@H](C)C2 ZINC000272675165 456035225 /nfs/dbraw/zinc/03/52/25/456035225.db2.gz UKPDNKREWPMENO-HUJKARHJSA-N 2 0 328.500 3.196 20 0 EGADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000188445963 456065032 /nfs/dbraw/zinc/06/50/32/456065032.db2.gz AQAQGRGYBSRPFJ-JXFKEZNVSA-N 2 0 342.458 3.113 20 0 EGADRP CSC1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000272863819 456095199 /nfs/dbraw/zinc/09/51/99/456095199.db2.gz VGSRDMVTBQUMMH-PKOBYXMFSA-N 2 0 348.556 3.399 20 0 EGADRP COCCOC[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000271177637 456156432 /nfs/dbraw/zinc/15/64/32/456156432.db2.gz IJGLLBKUUWNEDX-FQEVSTJZSA-N 2 0 348.531 3.130 20 0 EGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000236629386 456160138 /nfs/dbraw/zinc/16/01/38/456160138.db2.gz UIPXTFHCGWDWPW-UHFFFAOYSA-N 2 0 343.515 3.054 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333103639 456160907 /nfs/dbraw/zinc/16/09/07/456160907.db2.gz FDZAGKCZCOTRRS-QUCCMNQESA-N 2 0 328.456 3.460 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)c2ccc(C[NH3+])o2)c2cccs2)CC1 ZINC000236653938 456164699 /nfs/dbraw/zinc/16/46/99/456164699.db2.gz CFDMTEUNLPSAMD-HNNXBMFYSA-N 2 0 347.484 3.003 20 0 EGADRP c1ccc2ncc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2c1 ZINC000271201374 456170073 /nfs/dbraw/zinc/17/00/73/456170073.db2.gz WXSXPXVXYVMIIH-UHFFFAOYSA-N 2 0 339.483 3.312 20 0 EGADRP CCOc1cc(C[N@H+](C)CCCn2ccnc2C)cc(Cl)c1O ZINC000297299351 456176954 /nfs/dbraw/zinc/17/69/54/456176954.db2.gz AKLWCVYDJKUGBO-UHFFFAOYSA-N 2 0 337.851 3.471 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236818864 456186568 /nfs/dbraw/zinc/18/65/68/456186568.db2.gz VZVQONMQWSNETM-LPHOPBHVSA-N 2 0 331.504 3.195 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000236877022 456196025 /nfs/dbraw/zinc/19/60/25/456196025.db2.gz HKLNTOYROXMQKF-MISYRCLQSA-N 2 0 345.531 3.212 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236888908 456198266 /nfs/dbraw/zinc/19/82/66/456198266.db2.gz AEIYQVNWPMRGTK-BXWFABGCSA-N 2 0 331.504 3.051 20 0 EGADRP CCOc1cc(C[N@H+](C)CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000236904760 456199653 /nfs/dbraw/zinc/19/96/53/456199653.db2.gz OUTHQRJKQWOMKJ-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000236917455 456201637 /nfs/dbraw/zinc/20/16/37/456201637.db2.gz XTNNHLKZZCMIFT-HXUWFJFHSA-N 2 0 339.483 3.235 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1)C(C)C ZINC000236922990 456202700 /nfs/dbraw/zinc/20/27/00/456202700.db2.gz BWEULZKWSVBFCW-IBGZPJMESA-N 2 0 333.520 3.362 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000297376982 456203627 /nfs/dbraw/zinc/20/36/27/456203627.db2.gz ICMIFCDVYBOMPH-SFHVURJKSA-N 2 0 330.501 3.109 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189040274 456207965 /nfs/dbraw/zinc/20/79/65/456207965.db2.gz MNPZQILVHIBJRS-RTWAWAEBSA-N 2 0 329.532 3.015 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1C ZINC000273207055 456214483 /nfs/dbraw/zinc/21/44/83/456214483.db2.gz SGSHOURWNNFGBJ-UYAOXDASSA-N 2 0 347.547 3.235 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000237082371 456229258 /nfs/dbraw/zinc/22/92/58/456229258.db2.gz AEIYQVNWPMRGTK-TXPKVOOTSA-N 2 0 331.504 3.051 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189145706 456238562 /nfs/dbraw/zinc/23/85/62/456238562.db2.gz QJGQGBNYNAILAF-FQEVSTJZSA-N 2 0 328.500 3.456 20 0 EGADRP CC(C)c1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)nc(C(C)C)n1 ZINC000333711661 456252871 /nfs/dbraw/zinc/25/28/71/456252871.db2.gz SKGGHMMFBOPCEM-LPHOPBHVSA-N 2 0 346.519 3.446 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000297581758 456256835 /nfs/dbraw/zinc/25/68/35/456256835.db2.gz ILQCEHHUXQCUIG-NRFANRHFSA-N 2 0 327.516 3.113 20 0 EGADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000290233478 456272533 /nfs/dbraw/zinc/27/25/33/456272533.db2.gz RXRQDFIPSKNGOA-QWFCFKBJSA-N 2 0 326.484 3.297 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000290265979 456277299 /nfs/dbraw/zinc/27/72/99/456277299.db2.gz XYGXKWLAHOEXMI-WMZOPIPTSA-N 2 0 329.488 3.375 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@]1(C)CCCO1 ZINC000340172649 456288827 /nfs/dbraw/zinc/28/88/27/456288827.db2.gz UJQAVUXGADNUEO-BMQTXXJKSA-N 2 0 346.515 3.343 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(C2CC2)c1)N1CC[NH+](C)CC1 ZINC000340175048 456292698 /nfs/dbraw/zinc/29/26/98/456292698.db2.gz WEKZUDOJPFEWMF-UWJYYQICSA-N 2 0 329.532 3.487 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)[C@H](C)C1 ZINC000352782331 456301406 /nfs/dbraw/zinc/30/14/06/456301406.db2.gz HFWWVZVMNXYTTA-CPFNUKBASA-N 2 0 326.525 3.059 20 0 EGADRP C[C@@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000275742825 456302797 /nfs/dbraw/zinc/30/27/97/456302797.db2.gz RHMXITYXRZCGHT-GBESFXJTSA-N 2 0 347.522 3.420 20 0 EGADRP Cc1noc(C)c1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336793338 456311364 /nfs/dbraw/zinc/31/13/64/456311364.db2.gz WHUYMGQLFBOXGZ-UXHICEINSA-N 2 0 339.483 3.288 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC(C)C ZINC000290434545 456327599 /nfs/dbraw/zinc/32/75/99/456327599.db2.gz LMRABXKUVYWESS-ROUUACIJSA-N 2 0 332.488 3.399 20 0 EGADRP CCOc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(Cl)c1O ZINC000298004745 456343134 /nfs/dbraw/zinc/34/31/34/456343134.db2.gz ZVUBZTCCHXLYKQ-UHFFFAOYSA-N 2 0 326.868 3.218 20 0 EGADRP CC[N@@H+](Cc1c[nH]c2nccnc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290569387 456367683 /nfs/dbraw/zinc/36/76/83/456367683.db2.gz YJIBBMQITUPESP-GOSISDBHSA-N 2 0 349.482 3.302 20 0 EGADRP COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000290581969 456372780 /nfs/dbraw/zinc/37/27/80/456372780.db2.gz UQZURXPHKIGNNW-BLLLJJGKSA-N 2 0 341.293 3.230 20 0 EGADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000352890781 456393940 /nfs/dbraw/zinc/39/39/40/456393940.db2.gz ALYSNUMUCMJHDD-QFBILLFUSA-N 2 0 332.488 3.337 20 0 EGADRP CN(C)Cc1cnc(CN2CCC(OCC3CCCC3)CC2)s1 ZINC000347862426 456412744 /nfs/dbraw/zinc/41/27/44/456412744.db2.gz JXWYPMWJMRAJHS-UHFFFAOYSA-N 2 0 337.533 3.376 20 0 EGADRP CO[C@H](CC[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000340365979 456416582 /nfs/dbraw/zinc/41/65/82/456416582.db2.gz NQYKIMLWWVOWII-ARFHVFGLSA-N 2 0 330.394 3.379 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1c[nH]c2nccnc12 ZINC000290858825 456449480 /nfs/dbraw/zinc/44/94/80/456449480.db2.gz KHPQOYAORRJJOV-HZPDHXFCSA-N 2 0 349.482 3.204 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298453922 456461346 /nfs/dbraw/zinc/46/13/46/456461346.db2.gz OAWRONKTGDIUJZ-SFHVURJKSA-N 3 0 330.520 3.295 20 0 EGADRP Cc1cc2ncc([C@@H](C)[NH2+]CCCCC[NH+]3CCCC3)c(C)n2n1 ZINC000340474715 456481079 /nfs/dbraw/zinc/48/10/79/456481079.db2.gz UQERGLMZBMZAGV-MRXNPFEDSA-N 2 0 329.492 3.263 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000282423822 456508714 /nfs/dbraw/zinc/50/87/14/456508714.db2.gz STYWZNKWFUHGMI-CQSZACIVSA-N 2 0 339.524 3.224 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cn(C(C)(C)C)nn1 ZINC000276644803 456540387 /nfs/dbraw/zinc/54/03/87/456540387.db2.gz RRADYWMCZHZYRT-LPHOPBHVSA-N 2 0 341.503 3.033 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000340586151 456549395 /nfs/dbraw/zinc/54/93/95/456549395.db2.gz KIPCLKOIRNPTQE-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP COc1cc2[nH+]ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1OC ZINC000298832141 456550054 /nfs/dbraw/zinc/55/00/54/456550054.db2.gz HSTRHQKQDPKYPU-PBHICJAKSA-N 2 0 341.455 3.173 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308400919 456572116 /nfs/dbraw/zinc/57/21/16/456572116.db2.gz WOBONACKABIEFA-FRYIKTPZSA-N 2 0 328.500 3.444 20 0 EGADRP CC(C)(C)OC(=O)N(CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C ZINC000310035801 456578057 /nfs/dbraw/zinc/57/80/57/456578057.db2.gz MQVVTKUQTRTOML-HNNXBMFYSA-N 2 0 339.524 3.096 20 0 EGADRP COC(=O)C1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310934587 456586045 /nfs/dbraw/zinc/58/60/45/456586045.db2.gz IDSRSPQVJOXAPH-OXHPOLQJSA-N 2 0 344.499 3.218 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000353276425 456604034 /nfs/dbraw/zinc/60/40/34/456604034.db2.gz MAQJAZCSGLUTRA-HXUWFJFHSA-N 2 0 345.531 3.033 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353294730 456618467 /nfs/dbraw/zinc/61/84/67/456618467.db2.gz WATNGKUCUKCNHM-HOTGVXAUSA-N 2 0 331.495 3.064 20 0 EGADRP CCCCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000340687421 456624574 /nfs/dbraw/zinc/62/45/74/456624574.db2.gz ZJJCDRHFBWWXHI-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000348328793 456625551 /nfs/dbraw/zinc/62/55/51/456625551.db2.gz QDGLKHYNVDDPFH-DYXWJJEUSA-N 2 0 345.531 3.293 20 0 EGADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299182481 456628547 /nfs/dbraw/zinc/62/85/47/456628547.db2.gz ZJEKBAWGHMUADD-IRXDYDNUSA-N 2 0 329.488 3.258 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299182483 456629171 /nfs/dbraw/zinc/62/91/71/456629171.db2.gz ZJEKBAWGHMUADD-SJORKVTESA-N 2 0 329.488 3.258 20 0 EGADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000322163731 456644830 /nfs/dbraw/zinc/64/48/30/456644830.db2.gz MGJBWZCKKDKPNF-UHFFFAOYSA-N 2 0 333.863 3.218 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337999451 456647824 /nfs/dbraw/zinc/64/78/24/456647824.db2.gz OODHHMJOHCVCFA-XGXHKWSGSA-N 2 0 326.500 3.262 20 0 EGADRP CCOc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000322721824 456650222 /nfs/dbraw/zinc/65/02/22/456650222.db2.gz QYFJGFDOFGWENC-AWEZNQCLSA-N 2 0 330.419 3.492 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660572 /nfs/dbraw/zinc/66/05/72/456660572.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 2 0 329.532 3.348 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338209079 456707089 /nfs/dbraw/zinc/70/70/89/456707089.db2.gz VELIGNAHGVXWJC-NRFANRHFSA-N 2 0 338.499 3.472 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000328378956 456712591 /nfs/dbraw/zinc/71/25/91/456712591.db2.gz UWIZLOGCOBDVPX-XLIONFOSSA-N 2 0 328.431 3.269 20 0 EGADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(Cl)c1OC ZINC000353495177 456714972 /nfs/dbraw/zinc/71/49/72/456714972.db2.gz GUIWAYUYPCNQSB-UHFFFAOYSA-N 2 0 326.868 3.320 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000291729465 456737524 /nfs/dbraw/zinc/73/75/24/456737524.db2.gz AKJWLLSFHFBJAG-QGZVFWFLSA-N 2 0 331.504 3.131 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC000277279425 456757089 /nfs/dbraw/zinc/75/70/89/456757089.db2.gz SKLJJXAGDPFGCK-WMZOPIPTSA-N 2 0 334.504 3.432 20 0 EGADRP CN(CC[N@H+](C)[C@@H]1CCc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000343779456 456774519 /nfs/dbraw/zinc/77/45/19/456774519.db2.gz ZNKVPCPMAXGLBW-LJQANCHMSA-N 2 0 335.923 3.285 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348642893 456796140 /nfs/dbraw/zinc/79/61/40/456796140.db2.gz OCGTUZWGRFQSLL-OKZBNKHCSA-N 2 0 334.504 3.076 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c(F)c1 ZINC000353630705 456815531 /nfs/dbraw/zinc/81/55/31/456815531.db2.gz NJXIMZQFARAOSZ-CYBMUJFWSA-N 2 0 326.481 3.312 20 0 EGADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)CCC2 ZINC000353649402 456830448 /nfs/dbraw/zinc/83/04/48/456830448.db2.gz NVXGZLGRKXQLGM-ZDUSSCGKSA-N 2 0 339.574 3.500 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292024776 456833361 /nfs/dbraw/zinc/83/33/61/456833361.db2.gz YNHQGUVOPAWHFP-RTWAWAEBSA-N 2 0 330.516 3.178 20 0 EGADRP Cc1cnc(CNc2ccc(CN(C)C)c(Br)c2)n1C ZINC000341366983 456858226 /nfs/dbraw/zinc/85/82/26/456858226.db2.gz DFUMARDJDUDJGB-UHFFFAOYSA-N 2 0 337.265 3.165 20 0 EGADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169501 456875463 /nfs/dbraw/zinc/87/54/63/456875463.db2.gz OAQIEXWNVPZLBX-FGTMMUONSA-N 2 0 345.531 3.407 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)sc2C1 ZINC000349199080 456911402 /nfs/dbraw/zinc/91/14/02/456911402.db2.gz XYWBMGVCGAIWLY-ZBFHGGJFSA-N 2 0 333.545 3.432 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000353906972 456960800 /nfs/dbraw/zinc/96/08/00/456960800.db2.gz PYDPTDDQDUSHLR-ICSRJNTNSA-N 2 0 345.531 3.230 20 0 EGADRP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353948402 456975929 /nfs/dbraw/zinc/97/59/29/456975929.db2.gz UMRALOBIEUNAFJ-STQMWFEESA-N 2 0 344.377 3.310 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cn1 ZINC000354035741 457023645 /nfs/dbraw/zinc/02/36/45/457023645.db2.gz NPRXZUVYMWPFHO-IBGZPJMESA-N 2 0 346.450 3.043 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000354044169 457029881 /nfs/dbraw/zinc/02/98/81/457029881.db2.gz GMFDRGPMUMBPOB-UHFFFAOYSA-N 2 0 330.516 3.498 20 0 EGADRP Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)nc(C(C)C)n1 ZINC000362663362 457032085 /nfs/dbraw/zinc/03/20/85/457032085.db2.gz LFRJCKYWAYNCMF-PKOBYXMFSA-N 2 0 339.487 3.433 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000362711400 457055911 /nfs/dbraw/zinc/05/59/11/457055911.db2.gz KQBCAXPWKRMSHG-QFBILLFUSA-N 2 0 329.488 3.199 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)c2ccccc2C[NH+](C)C)cc1 ZINC000362743659 457073647 /nfs/dbraw/zinc/07/36/47/457073647.db2.gz ANTZEDSKKNTJNO-UHFFFAOYSA-N 2 0 325.456 3.105 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]21 ZINC000342090358 457102029 /nfs/dbraw/zinc/10/20/29/457102029.db2.gz TUMBYETWAOENIH-VHDGCEQUSA-N 2 0 328.378 3.187 20 0 EGADRP C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000359665474 457106349 /nfs/dbraw/zinc/10/63/49/457106349.db2.gz SYRZNQGPPZSGQE-AWEZNQCLSA-N 2 0 335.458 3.256 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000342107290 457111918 /nfs/dbraw/zinc/11/19/18/457111918.db2.gz PSLAZKYOOITLQJ-UVBQOVKKSA-N 2 0 343.515 3.092 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000342107286 457112233 /nfs/dbraw/zinc/11/22/33/457112233.db2.gz PSLAZKYOOITLQJ-FLNBYBTLSA-N 2 0 343.515 3.092 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCN(CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436042 457118211 /nfs/dbraw/zinc/11/82/11/457118211.db2.gz BTPRYRSUPIRGOA-KRWDZBQOSA-N 2 0 326.843 3.276 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)n1 ZINC000359928255 457152980 /nfs/dbraw/zinc/15/29/80/457152980.db2.gz ZZVQGVMNWAOCBT-QFBILLFUSA-N 2 0 326.488 3.104 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000346842267 457182339 /nfs/dbraw/zinc/18/23/39/457182339.db2.gz IAAJDCMGTLCEBY-HNNXBMFYSA-N 2 0 330.451 3.080 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCCOC3)CC2)cc1 ZINC000356904423 457209934 /nfs/dbraw/zinc/20/99/34/457209934.db2.gz SYFCDNRZXWEZJZ-FXAWDEMLSA-N 2 0 346.515 3.312 20 0 EGADRP CCOc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc(Cl)c1OC ZINC000347063146 457210983 /nfs/dbraw/zinc/21/09/83/457210983.db2.gz IQAUMUGWQVICOJ-LBPRGKRZSA-N 2 0 326.868 3.307 20 0 EGADRP c1cn2c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c(C3CC3)nc2s1 ZINC000347078490 457218645 /nfs/dbraw/zinc/21/86/45/457218645.db2.gz VUJDLTAWJNUOIR-HNNXBMFYSA-N 2 0 330.501 3.237 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347141285 457252293 /nfs/dbraw/zinc/25/22/93/457252293.db2.gz WEFBDNZJBLNQAK-DZGCQCFKSA-N 2 0 332.879 3.393 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000347208425 457288419 /nfs/dbraw/zinc/28/84/19/457288419.db2.gz NCOMZEJZQDICLY-UHFFFAOYSA-N 2 0 338.517 3.247 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357045857 457295823 /nfs/dbraw/zinc/29/58/23/457295823.db2.gz VPXQBQJTTWAPOE-HLNWXESRSA-N 2 0 345.531 3.447 20 0 EGADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@H]12 ZINC000351472525 457298366 /nfs/dbraw/zinc/29/83/66/457298366.db2.gz AZSJTNLQJYMURE-YSIASYRMSA-N 2 0 335.451 3.108 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@@H]12 ZINC000351489398 457300733 /nfs/dbraw/zinc/30/07/33/457300733.db2.gz HAFQDKMVHJOVJB-NSISKUIASA-N 2 0 347.547 3.150 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1(C)CC1 ZINC000360429782 457310827 /nfs/dbraw/zinc/31/08/27/457310827.db2.gz UJGOTSKVLKDSKY-LJQANCHMSA-N 2 0 329.532 3.363 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000352130366 457340059 /nfs/dbraw/zinc/34/00/59/457340059.db2.gz YTGRMBMFPKEAOI-LJQANCHMSA-N 2 0 333.520 3.310 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000352432517 457363381 /nfs/dbraw/zinc/36/33/81/457363381.db2.gz QPIOQRMYCMBURG-NJDAHSKKSA-N 2 0 328.500 3.400 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000357201382 457370944 /nfs/dbraw/zinc/37/09/44/457370944.db2.gz GOKCIRYUMBOSJW-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360837440 457376249 /nfs/dbraw/zinc/37/62/49/457376249.db2.gz PXLUEHGWJRPHRG-HXUWFJFHSA-N 2 0 329.532 3.416 20 0 EGADRP c1ccc(C[N@@H+]2CCCO[C@@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000390857635 457448161 /nfs/dbraw/zinc/44/81/61/457448161.db2.gz LFNOYISQTPLBSI-IBGZPJMESA-N 2 0 347.462 3.360 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000363811688 457452364 /nfs/dbraw/zinc/45/23/64/457452364.db2.gz CSWNTJUAYKLFGL-ZWKOTPCHSA-N 2 0 345.531 3.131 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000360945103 457453126 /nfs/dbraw/zinc/45/31/26/457453126.db2.gz CYBDYVHJWFEOIW-KRWDZBQOSA-N 2 0 342.487 3.100 20 0 EGADRP CC[C@@H](C[NH2+]Cc1cn(C)nc1C(F)F)N1CCc2ccccc2C1 ZINC000360963788 457470635 /nfs/dbraw/zinc/47/06/35/457470635.db2.gz GCDWDVUSWCUEOL-KRWDZBQOSA-N 2 0 348.441 3.284 20 0 EGADRP CSC1(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000356141416 457482023 /nfs/dbraw/zinc/48/20/23/457482023.db2.gz VSJUHZRBZNRAPA-IRXDYDNUSA-N 2 0 340.577 3.483 20 0 EGADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC(F)F ZINC000397295131 457485804 /nfs/dbraw/zinc/48/58/04/457485804.db2.gz ZGVRJRJCIRIDEW-BZPMIXESSA-N 2 0 328.403 3.102 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC(F)F ZINC000397287892 457486325 /nfs/dbraw/zinc/48/63/25/457486325.db2.gz VKYXCQFGGCRDRD-GUTXKFCHSA-N 2 0 342.430 3.492 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000369990519 457490633 /nfs/dbraw/zinc/49/06/33/457490633.db2.gz FYNMSRWVRCHVPD-AEFFLSMTSA-N 2 0 344.503 3.136 20 0 EGADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401047012 457521985 /nfs/dbraw/zinc/52/19/85/457521985.db2.gz RKVFDRXKUNZZRX-NCYKPQTJSA-N 2 0 329.532 3.121 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc2C1 ZINC000361050715 457544323 /nfs/dbraw/zinc/54/43/23/457544323.db2.gz IFHKCRZRAVWCEB-NRFANRHFSA-N 2 0 343.515 3.192 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OC(F)F ZINC000404444554 457544624 /nfs/dbraw/zinc/54/46/24/457544624.db2.gz WUPXXUTVHYMPIY-OCCSQVGLSA-N 2 0 328.403 3.246 20 0 EGADRP c1cc(C[N@@H+]2CCOC3(CCOCC3)C2)ccc1C[NH+]1CCCCC1 ZINC000408520893 457577747 /nfs/dbraw/zinc/57/77/47/457577747.db2.gz AEGHPPXSMYVSEG-UHFFFAOYSA-N 2 0 344.499 3.054 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356423263 457618079 /nfs/dbraw/zinc/61/80/79/457618079.db2.gz KTOJTRAYEWXPHR-XLIONFOSSA-N 2 0 343.515 3.085 20 0 EGADRP CCC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC)cc1 ZINC000370625043 457684467 /nfs/dbraw/zinc/68/44/67/457684467.db2.gz UCJHVCCABPLSER-WIYYLYMNSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(Cl)c1 ZINC000370633022 457687076 /nfs/dbraw/zinc/68/70/76/457687076.db2.gz FIPABVLOXWRWEC-DZGCQCFKSA-N 2 0 339.886 3.298 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccnn2C)c1 ZINC000374898601 457729799 /nfs/dbraw/zinc/72/97/99/457729799.db2.gz RPPPQFPOHMKSJF-SFHVURJKSA-N 2 0 338.499 3.313 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000433114408 457760212 /nfs/dbraw/zinc/76/02/12/457760212.db2.gz GEDUWCFYUMGSJL-OAQYLSRUSA-N 2 0 343.515 3.237 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000433133233 457763023 /nfs/dbraw/zinc/76/30/23/457763023.db2.gz NTUHKTZMZXLJDH-LJQANCHMSA-N 2 0 335.536 3.151 20 0 EGADRP CCC(CC)(CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433127972 457763141 /nfs/dbraw/zinc/76/31/41/457763141.db2.gz VCISDTZEXVUFHX-UHFFFAOYSA-N 2 0 345.531 3.064 20 0 EGADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000433153696 457766032 /nfs/dbraw/zinc/76/60/32/457766032.db2.gz QKKKXUIAZVGIFF-QGZVFWFLSA-N 2 0 337.895 3.111 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCC[C@H]1C ZINC000361542134 457781936 /nfs/dbraw/zinc/78/19/36/457781936.db2.gz WQHPXWQGIYWLHN-KZNAEPCWSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1nnsc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000426350412 457809055 /nfs/dbraw/zinc/80/90/55/457809055.db2.gz XOZQNEBFXDEFEJ-UHFFFAOYSA-N 2 0 330.501 3.379 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358154992 457820300 /nfs/dbraw/zinc/82/03/00/457820300.db2.gz JJYZDLZZTSUSQX-GDBMZVCRSA-N 2 0 330.501 3.068 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411204488 457830092 /nfs/dbraw/zinc/83/00/92/457830092.db2.gz WSFYQCUDARYCLY-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCc1ccc(Cl)cc1 ZINC000371295904 457852483 /nfs/dbraw/zinc/85/24/83/457852483.db2.gz VSJMGWZJLMCXKG-GUDVDZBRSA-N 2 0 336.907 3.456 20 0 EGADRP OCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1cccnc1 ZINC000411350753 457863396 /nfs/dbraw/zinc/86/33/96/457863396.db2.gz SPGQQICPABTGMJ-UHFFFAOYSA-N 2 0 339.483 3.062 20 0 EGADRP Cc1ccc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)ccc2n1 ZINC000375356396 457895333 /nfs/dbraw/zinc/89/53/33/457895333.db2.gz NJLWDBWXKLJNQO-SESVDKBCSA-N 2 0 339.483 3.227 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@H]1C ZINC000361836536 457896900 /nfs/dbraw/zinc/89/69/00/457896900.db2.gz GGLKSIZREJXTRE-MJGOQNOKSA-N 2 0 326.488 3.485 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411475704 457897709 /nfs/dbraw/zinc/89/77/09/457897709.db2.gz TUXBPVXGLXYKMR-WOJBJXKFSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201450 457934211 /nfs/dbraw/zinc/93/42/11/457934211.db2.gz SOOHADLVJVHLKF-KRWDZBQOSA-N 2 0 339.487 3.136 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000358325739 457934600 /nfs/dbraw/zinc/93/46/00/457934600.db2.gz YOSODJWUFNFJIR-SJLPKXTDSA-N 2 0 332.488 3.379 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000458155826 457946293 /nfs/dbraw/zinc/94/62/93/457946293.db2.gz AXLUJLRNGNZSQN-SFHVURJKSA-N 2 0 345.531 3.380 20 0 EGADRP CSc1ccccc1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411691293 457952006 /nfs/dbraw/zinc/95/20/06/457952006.db2.gz HROGDAQEXRKCTA-HNNXBMFYSA-N 2 0 349.544 3.048 20 0 EGADRP CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358379463 457965588 /nfs/dbraw/zinc/96/55/88/457965588.db2.gz FPQOEGRRIIGULK-MJGOQNOKSA-N 2 0 345.531 3.276 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000427265279 457969268 /nfs/dbraw/zinc/96/92/68/457969268.db2.gz MQJAHEGJYYQOCX-GPMSIDNRSA-N 2 0 349.544 3.027 20 0 EGADRP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506371 458046712 /nfs/dbraw/zinc/04/67/12/458046712.db2.gz JRXPEYAKFHBGLI-HXUWFJFHSA-N 2 0 349.478 3.442 20 0 EGADRP C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C(C)(C)C[NH+](C)C ZINC000412125975 458099473 /nfs/dbraw/zinc/09/94/73/458099473.db2.gz DNRGDZXMIKQMDM-KRWDZBQOSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412131659 458102588 /nfs/dbraw/zinc/10/25/88/458102588.db2.gz PBERFQWJNAFWGM-PXNSSMCTSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000412133718 458102660 /nfs/dbraw/zinc/10/26/60/458102660.db2.gz RFILUYWTNBLABY-FXAWDEMLSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435369412 458121007 /nfs/dbraw/zinc/12/10/07/458121007.db2.gz FFZAWBWGRXAYAQ-HOTGVXAUSA-N 2 0 326.488 3.339 20 0 EGADRP CCN(Cc1cccc(Br)c1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435391423 458134195 /nfs/dbraw/zinc/13/41/95/458134195.db2.gz SJFZZCPNUMLNIG-CQSZACIVSA-N 2 0 341.293 3.422 20 0 EGADRP C[NH+]1CCC(C)(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412246883 458142781 /nfs/dbraw/zinc/14/27/81/458142781.db2.gz IXXRNSVBZXTZTH-UHFFFAOYSA-N 2 0 343.515 3.134 20 0 EGADRP CC[C@@H]1C[C@H](C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435427290 458144637 /nfs/dbraw/zinc/14/46/37/458144637.db2.gz MEUBDFVIAGLYAG-BRWVUGGUSA-N 2 0 349.544 3.292 20 0 EGADRP Cn1ccnc1CN(C(=O)CCCC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000435570913 458163025 /nfs/dbraw/zinc/16/30/25/458163025.db2.gz ZBHCNWHXYNHNOD-INIZCTEOSA-N 2 0 346.519 3.107 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000358738704 458182166 /nfs/dbraw/zinc/18/21/66/458182166.db2.gz BCYUATLQYVTHON-IBGZPJMESA-N 2 0 326.488 3.428 20 0 EGADRP Cc1ncsc1CN(CCCOc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000435735475 458192438 /nfs/dbraw/zinc/19/24/38/458192438.db2.gz NFIDLAVQSXVNFO-KRWDZBQOSA-N 2 0 345.512 3.332 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000446570064 458198101 /nfs/dbraw/zinc/19/81/01/458198101.db2.gz WBUXIQGOJULBIZ-FUHWJXTLSA-N 2 0 346.519 3.127 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2s1 ZINC000446816273 458231268 /nfs/dbraw/zinc/23/12/68/458231268.db2.gz BCJJCOGKYKTLLR-GOEBONIOSA-N 2 0 345.512 3.139 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(F)cc(Cl)c3)CC2)CC1 ZINC000362514207 458236658 /nfs/dbraw/zinc/23/66/58/458236658.db2.gz YBAQZZPJAGXLJS-UHFFFAOYSA-N 2 0 339.886 3.127 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN(Cc2ccccc2)C1 ZINC000446890854 458242769 /nfs/dbraw/zinc/24/27/69/458242769.db2.gz QDHBJGMNPGAUBP-NQIIRXRSSA-N 2 0 341.543 3.361 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000429147697 458282161 /nfs/dbraw/zinc/28/21/61/458282161.db2.gz CCCYOYSPPBKKCF-VQIMIIECSA-N 2 0 331.504 3.118 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000447536757 458307019 /nfs/dbraw/zinc/30/70/19/458307019.db2.gz PRUKNBYSPIVLRD-NHCUHLMSSA-N 2 0 329.532 3.487 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000369720938 458326362 /nfs/dbraw/zinc/32/63/62/458326362.db2.gz KUJLYJGITARCIS-UHFFFAOYSA-N 2 0 330.520 3.234 20 0 EGADRP COCCSCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459486269 458388634 /nfs/dbraw/zinc/38/86/34/458388634.db2.gz SETQHPIEDGSJQN-UHFFFAOYSA-N 2 0 345.512 3.127 20 0 EGADRP CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423452589 458435681 /nfs/dbraw/zinc/43/56/81/458435681.db2.gz ZFKQKJWZDKPIBR-MJGOQNOKSA-N 2 0 343.515 3.047 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423477964 458438544 /nfs/dbraw/zinc/43/85/44/458438544.db2.gz KSSDSIQBRSSPIB-DOTOQJQBSA-N 2 0 332.492 3.399 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OC ZINC000459661132 458439100 /nfs/dbraw/zinc/43/91/00/458439100.db2.gz QFTWPHOPMRRZRX-OAHLLOKOSA-N 2 0 339.439 3.381 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C2 ZINC000423489080 458442183 /nfs/dbraw/zinc/44/21/83/458442183.db2.gz VXHWETMLGWYQIO-DLBZAZTESA-N 2 0 337.305 3.428 20 0 EGADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000423504711 458445044 /nfs/dbraw/zinc/44/50/44/458445044.db2.gz NUNUIOKTAQOJDL-UZLBHIALSA-N 2 0 335.455 3.398 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(Br)c1 ZINC000423538900 458454827 /nfs/dbraw/zinc/45/48/27/458454827.db2.gz OBVTZAZLZGGKLY-GFCCVEGCSA-N 2 0 339.277 3.418 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000423541794 458455279 /nfs/dbraw/zinc/45/52/79/458455279.db2.gz ACADIFOQHCGGST-JBACZVJFSA-N 2 0 327.516 3.019 20 0 EGADRP COc1ccc(Br)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459733316 458461925 /nfs/dbraw/zinc/46/19/25/458461925.db2.gz NGZXAQXIWBEWFI-ZDUSSCGKSA-N 2 0 341.293 3.279 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459739638 458464780 /nfs/dbraw/zinc/46/47/80/458464780.db2.gz TUFKNZHWGBTABI-GOSISDBHSA-N 2 0 326.488 3.311 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(C[NH3+])CC1 ZINC000430598396 458469680 /nfs/dbraw/zinc/46/96/80/458469680.db2.gz CXZZMMCGDSMNHZ-JKSUJKDBSA-N 2 0 339.483 3.076 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000423742388 458477683 /nfs/dbraw/zinc/47/76/83/458477683.db2.gz LBSAYSCWKVHUIF-WOJBJXKFSA-N 2 0 345.531 3.394 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459798431 458481506 /nfs/dbraw/zinc/48/15/06/458481506.db2.gz XUOFEYMZAHEIPX-CABCVRRESA-N 2 0 337.895 3.379 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000430928364 458506719 /nfs/dbraw/zinc/50/67/19/458506719.db2.gz TZFZYXLVQDIKNF-OAHLLOKOSA-N 2 0 331.504 3.070 20 0 EGADRP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@H](C)[NH3+])CC3)n2)cc1F ZINC000430922615 458506772 /nfs/dbraw/zinc/50/67/72/458506772.db2.gz BNGLIAVCZALRGJ-STQMWFEESA-N 2 0 332.423 3.304 20 0 EGADRP Cc1c(C)c(C)c(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c(C)c1C ZINC000423913622 458512232 /nfs/dbraw/zinc/51/22/32/458512232.db2.gz XFMKSBKGBBAXEG-UHFFFAOYSA-N 2 0 345.531 3.048 20 0 EGADRP Cc1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000468396315 458515814 /nfs/dbraw/zinc/51/58/14/458515814.db2.gz VSPPYIWGSYFGGO-APWZRJJASA-N 2 0 335.923 3.106 20 0 EGADRP CCC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000431068856 458525536 /nfs/dbraw/zinc/52/55/36/458525536.db2.gz UJRHJEXSFJNSDZ-UHFFFAOYSA-N 2 0 348.878 3.397 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424273996 458600611 /nfs/dbraw/zinc/60/06/11/458600611.db2.gz XVTNSLXCGNURER-LSDHHAIUSA-N 2 0 339.911 3.025 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287684 458605825 /nfs/dbraw/zinc/60/58/25/458605825.db2.gz JOQJYZLYQKDNMY-CQSZACIVSA-N 2 0 335.879 3.051 20 0 EGADRP Cc1cc(C(C)(C)C)cc(C)c1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424299820 458609020 /nfs/dbraw/zinc/60/90/20/458609020.db2.gz VXMYKPPBVMXEEG-VQTJNVASSA-N 2 0 340.515 3.261 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307527 458611970 /nfs/dbraw/zinc/61/19/70/458611970.db2.gz XQVAKVMXZXRALZ-ICSRJNTNSA-N 2 0 347.522 3.312 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000494000259 458614352 /nfs/dbraw/zinc/61/43/52/458614352.db2.gz PNZPCBAKNSHHOT-YFYQMDMQSA-N 2 0 343.515 3.027 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431741050 458614954 /nfs/dbraw/zinc/61/49/54/458614954.db2.gz BAJHDSSDDCCKSD-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431746009 458616452 /nfs/dbraw/zinc/61/64/52/458616452.db2.gz STMGCBAHXHIUFU-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431746525 458617128 /nfs/dbraw/zinc/61/71/28/458617128.db2.gz UVPXRJRFYUALGN-ZHALLVOQSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1[C@H](NC(=O)CC[NH+]2CCCC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000494060950 458622339 /nfs/dbraw/zinc/62/23/39/458622339.db2.gz SBVMMEXPLRTIJD-WSTZPKSXSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000424435496 458643297 /nfs/dbraw/zinc/64/32/97/458643297.db2.gz IRIJNGRPHMNFHU-HOTGVXAUSA-N 2 0 346.519 3.332 20 0 EGADRP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000471593423 458702343 /nfs/dbraw/zinc/70/23/43/458702343.db2.gz KYNRKIHYDBOUTG-PZJWPPBQSA-N 2 0 331.548 3.404 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000494647419 458717838 /nfs/dbraw/zinc/71/78/38/458717838.db2.gz MAIMIVXVBQTKIR-PMACEKPBSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(OC(F)(F)F)c2)CCCO1 ZINC000432358009 458722968 /nfs/dbraw/zinc/72/29/68/458722968.db2.gz NZGVQOAYHXCDIK-CQSZACIVSA-N 2 0 346.393 3.176 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(OC(F)(F)F)c2)CCCO1 ZINC000432358008 458723716 /nfs/dbraw/zinc/72/37/16/458723716.db2.gz NZGVQOAYHXCDIK-AWEZNQCLSA-N 2 0 346.393 3.176 20 0 EGADRP Clc1cccc2c1CC[C@H]2[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240061 458727535 /nfs/dbraw/zinc/72/75/35/458727535.db2.gz KFJBKBITRFUXPV-HNAYVOBHSA-N 2 0 334.891 3.418 20 0 EGADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CCC2 ZINC000530242386 458728213 /nfs/dbraw/zinc/72/82/13/458728213.db2.gz UEWHDKIUJHWYME-UYAOXDASSA-N 2 0 332.463 3.294 20 0 EGADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCOCC(F)(F)F ZINC000471842001 458739963 /nfs/dbraw/zinc/73/99/63/458739963.db2.gz BYHDFAFRUNPZJF-DLBZAZTESA-N 2 0 344.421 3.237 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C2CCC2)cc1 ZINC000547653319 458767682 /nfs/dbraw/zinc/76/76/82/458767682.db2.gz RQKWNXRLTMOQJD-NRFANRHFSA-N 2 0 329.532 3.453 20 0 EGADRP C[C@@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCCC1 ZINC000530583221 458793726 /nfs/dbraw/zinc/79/37/26/458793726.db2.gz FQDFEKUQOKBVDQ-IBGZPJMESA-N 2 0 343.515 3.380 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440262460 458798568 /nfs/dbraw/zinc/79/85/68/458798568.db2.gz BXWILGSHYYPHRZ-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCN(c2ccccn2)CC1 ZINC000472578450 458802435 /nfs/dbraw/zinc/80/24/35/458802435.db2.gz GPUPLSMVUSVYDQ-FQEVSTJZSA-N 2 0 344.547 3.494 20 0 EGADRP CC[C@@H](F)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000440614534 458833078 /nfs/dbraw/zinc/83/30/78/458833078.db2.gz UBLAIVAGSZZEJZ-HUUCEWRRSA-N 2 0 325.447 3.366 20 0 EGADRP Cc1ccc(C)c(OCCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441256637 458906427 /nfs/dbraw/zinc/90/64/27/458906427.db2.gz AEWAWGNPFFOVIB-SVFBPWRDSA-N 2 0 346.515 3.256 20 0 EGADRP Cc1ccc(C)c(OCCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441256622 458906738 /nfs/dbraw/zinc/90/67/38/458906738.db2.gz AEWAWGNPFFOVIB-QKNQBKEWSA-N 2 0 346.515 3.256 20 0 EGADRP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC[C@H]1CCCC[NH+]1C ZINC000441351439 458924671 /nfs/dbraw/zinc/92/46/71/458924671.db2.gz CIOLFHGENXNHOR-QGZVFWFLSA-N 2 0 337.895 3.475 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000519311624 458933658 /nfs/dbraw/zinc/93/36/58/458933658.db2.gz DXXXCLQVWRNALE-HDICACEKSA-N 2 0 345.531 3.123 20 0 EGADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000556178593 458934004 /nfs/dbraw/zinc/93/40/04/458934004.db2.gz FOKVLBVRANSRNW-VSKRKVRLSA-N 2 0 338.495 3.324 20 0 EGADRP FC(F)(F)Cn1cc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000566555716 458959249 /nfs/dbraw/zinc/95/92/49/458959249.db2.gz SIFGHWZMJQWTRL-HZPDHXFCSA-N 2 0 338.377 3.028 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000531687889 458961717 /nfs/dbraw/zinc/96/17/17/458961717.db2.gz CFRRATJBVNMDED-XWDORNJCSA-N 2 0 329.532 3.142 20 0 EGADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(F)cc1 ZINC000531703421 458964637 /nfs/dbraw/zinc/96/46/37/458964637.db2.gz XXSWXRASTLSYJK-UWJYYQICSA-N 2 0 341.474 3.465 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000577183186 458993217 /nfs/dbraw/zinc/99/32/17/458993217.db2.gz USYRAZRBWRCMPS-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531970982 459009916 /nfs/dbraw/zinc/00/99/16/459009916.db2.gz AZTMILPHJOAFPV-VAMGGRTRSA-N 2 0 343.515 3.052 20 0 EGADRP Clc1cccc(Cl)c1OCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519821292 459010962 /nfs/dbraw/zinc/01/09/62/459010962.db2.gz BGPFYKCGEKLLOI-MRXNPFEDSA-N 2 0 329.271 3.448 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000442715637 459025472 /nfs/dbraw/zinc/02/54/72/459025472.db2.gz LOZNMJPMSIEZSE-QRQLOZEOSA-N 2 0 331.504 3.015 20 0 EGADRP COc1ccc2c(c1)OC[C@@H](N[C@@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000567041516 459038855 /nfs/dbraw/zinc/03/88/55/459038855.db2.gz JNDWQKWNVFUKOO-FPOVZHCZSA-N 2 0 348.446 3.442 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000442872191 459048797 /nfs/dbraw/zinc/04/87/97/459048797.db2.gz HOIATZACVLXFAC-FQEVSTJZSA-N 2 0 331.548 3.178 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000442875968 459049459 /nfs/dbraw/zinc/04/94/59/459049459.db2.gz QAMFOMRUSCZZPJ-WOJBJXKFSA-N 2 0 329.532 3.487 20 0 EGADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442878130 459049601 /nfs/dbraw/zinc/04/96/01/459049601.db2.gz SHLZPSLHFOHJSE-LJQANCHMSA-N 2 0 335.511 3.008 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1(C)C ZINC000442878161 459049770 /nfs/dbraw/zinc/04/97/70/459049770.db2.gz SNWUYDZCLIMAFL-GOSISDBHSA-N 2 0 335.923 3.333 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CC1(C)C ZINC000442881463 459051199 /nfs/dbraw/zinc/05/11/99/459051199.db2.gz ZMZHUVLPNVOJPM-LEWJYISDSA-N 2 0 343.559 3.404 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496064308 459053122 /nfs/dbraw/zinc/05/31/22/459053122.db2.gz JVSSUUDFZHOSRZ-IXDOHACOSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000532248232 459053846 /nfs/dbraw/zinc/05/38/46/459053846.db2.gz MFDHKBQJRCCBNE-LAUBAEHRSA-N 2 0 342.483 3.320 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442890920 459057096 /nfs/dbraw/zinc/05/70/96/459057096.db2.gz PNOFAKUVIXGDMN-MRXNPFEDSA-N 2 0 335.561 3.475 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000478395450 459087659 /nfs/dbraw/zinc/08/76/59/459087659.db2.gz BHDQDWKHMGPSKX-PMACEKPBSA-N 2 0 345.531 3.103 20 0 EGADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000479064823 459119565 /nfs/dbraw/zinc/11/95/65/459119565.db2.gz FYNCMTYJNRQAJY-AHRSYUTCSA-N 2 0 330.516 3.474 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccco2)CC1 ZINC000532647684 459124897 /nfs/dbraw/zinc/12/48/97/459124897.db2.gz HMBCBMUFLKXJFK-HLIPFELVSA-N 2 0 334.504 3.063 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000496272584 459131384 /nfs/dbraw/zinc/13/13/84/459131384.db2.gz HOOWNCLQIOHQJH-WCXIOVBPSA-N 2 0 341.540 3.388 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567605787 459131863 /nfs/dbraw/zinc/13/18/63/459131863.db2.gz FLNMDWMKOUGVPN-SYYKKAFVSA-N 2 0 338.495 3.263 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)Cc3ccsc3)CC2)CC1 ZINC000567604159 459131931 /nfs/dbraw/zinc/13/19/31/459131931.db2.gz OBSZNUHRNSOTJI-KRWDZBQOSA-N 2 0 335.561 3.171 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2c(C)c1 ZINC000479384753 459137615 /nfs/dbraw/zinc/13/76/15/459137615.db2.gz WZVXHDHDBWVTPW-QGZVFWFLSA-N 2 0 341.499 3.375 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000496402047 459181049 /nfs/dbraw/zinc/18/10/49/459181049.db2.gz ZXCHFNHKYDZZJU-OAHLLOKOSA-N 2 0 331.460 3.168 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](COC)c2cccc(Cl)c2F)CC1 ZINC000578389711 459193268 /nfs/dbraw/zinc/19/32/68/459193268.db2.gz ABNBVHVJXCNQOJ-INIZCTEOSA-N 2 0 328.859 3.488 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000558800570 459212924 /nfs/dbraw/zinc/21/29/24/459212924.db2.gz VLDRXWBOOIYDGX-AWEZNQCLSA-N 2 0 329.488 3.299 20 0 EGADRP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786173 459219461 /nfs/dbraw/zinc/21/94/61/459219461.db2.gz FNHHDIYLADESGW-GOSISDBHSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000590786873 459219762 /nfs/dbraw/zinc/21/97/62/459219762.db2.gz FHIQTQQLKXFPCW-FQEVSTJZSA-N 2 0 348.531 3.095 20 0 EGADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC000590787212 459219835 /nfs/dbraw/zinc/21/98/35/459219835.db2.gz VCXJLJBKCNXCKV-QGZVFWFLSA-N 2 0 325.541 3.073 20 0 EGADRP C[N@@H+](CCc1ccc(Br)cc1)CC[C@H]1CCC[NH+]1C ZINC000534019089 459285583 /nfs/dbraw/zinc/28/55/83/459285583.db2.gz HWAOMVRCAKIHHW-MRXNPFEDSA-N 2 0 325.294 3.408 20 0 EGADRP C[N@@H+](CCc1ccc(Br)cc1)CC[C@@H]1CCC[NH+]1C ZINC000534019085 459285815 /nfs/dbraw/zinc/28/58/15/459285815.db2.gz HWAOMVRCAKIHHW-INIZCTEOSA-N 2 0 325.294 3.408 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000568707935 459330718 /nfs/dbraw/zinc/33/07/18/459330718.db2.gz BTEDYPIKWPPRCD-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496807377 459332026 /nfs/dbraw/zinc/33/20/26/459332026.db2.gz CLILHMXRJAZZFL-HNNXBMFYSA-N 2 0 342.443 3.231 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000524156145 459349509 /nfs/dbraw/zinc/34/95/09/459349509.db2.gz NBEKNNPGZLYZQB-GOSISDBHSA-N 2 0 345.531 3.086 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000483829921 459394329 /nfs/dbraw/zinc/39/43/29/459394329.db2.gz BPMMUPWKPYNOHZ-WOSRLPQWSA-N 2 0 341.293 3.146 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2ccccc21 ZINC000591582348 459407816 /nfs/dbraw/zinc/40/78/16/459407816.db2.gz JXOBGDZLZMNMGX-IPELMVKDSA-N 2 0 342.483 3.433 20 0 EGADRP C[C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000525180783 459424704 /nfs/dbraw/zinc/42/47/04/459424704.db2.gz DNDADPHAWDZTPI-CTNGQTDRSA-N 2 0 329.532 3.363 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000541230832 459434574 /nfs/dbraw/zinc/43/45/74/459434574.db2.gz AYVWYCMUYGDRCB-UHFFFAOYSA-N 2 0 336.907 3.411 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000541572470 459467963 /nfs/dbraw/zinc/46/79/63/459467963.db2.gz MZISHMUDEHBRIP-MJGOQNOKSA-N 2 0 345.531 3.415 20 0 EGADRP CCCCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486210156 459492538 /nfs/dbraw/zinc/49/25/38/459492538.db2.gz BANRTNNPPZXBHU-NVXWUHKLSA-N 2 0 337.552 3.122 20 0 EGADRP O[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CCCCC1 ZINC000562061018 459508062 /nfs/dbraw/zinc/50/80/62/459508062.db2.gz DESXQROPHUZUAA-YPAWHYETSA-N 2 0 342.527 3.382 20 0 EGADRP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000569870856 459522875 /nfs/dbraw/zinc/52/28/75/459522875.db2.gz NXKMUPXXQKWFPF-BHIFYINESA-N 2 0 336.479 3.438 20 0 EGADRP CCC(CC)(CNC(=O)N[C@@H](C)C[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC000497441421 459536724 /nfs/dbraw/zinc/53/67/24/459536724.db2.gz CZJMXRMBEWVSFF-DLBZAZTESA-N 2 0 348.535 3.145 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000526055929 459539899 /nfs/dbraw/zinc/53/98/99/459539899.db2.gz MSKLDCHWAYBDSO-HZQHCPKGSA-N 2 0 347.934 3.454 20 0 EGADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000497856989 459559961 /nfs/dbraw/zinc/55/99/61/459559961.db2.gz LNVXXHHSXSWKHW-KSZLIROESA-N 2 0 338.536 3.456 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(C)o1 ZINC000562601660 459597573 /nfs/dbraw/zinc/59/75/73/459597573.db2.gz QWRGILAKNSBHCJ-HNNXBMFYSA-N 2 0 349.519 3.174 20 0 EGADRP CSc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000542824065 459600868 /nfs/dbraw/zinc/60/08/68/459600868.db2.gz BCKZUJBKFFKADN-SFHVURJKSA-N 2 0 333.545 3.009 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC[C@](C)(O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000583867301 459610140 /nfs/dbraw/zinc/61/01/40/459610140.db2.gz ZHNOVLPWRQVJGH-BNOWGMLFSA-N 2 0 336.423 3.034 20 0 EGADRP c1ccc(-c2noc([C@H]3CCCC[N@H+]3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000583922371 459619155 /nfs/dbraw/zinc/61/91/55/459619155.db2.gz OAHZSJHNUYQZRZ-DOTOQJQBSA-N 2 0 326.444 3.263 20 0 EGADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000573355360 459664542 /nfs/dbraw/zinc/66/45/42/459664542.db2.gz WCRVLPBFWGYZOP-AXNOTKAXSA-N 2 0 339.458 3.253 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C(F)F)cc1 ZINC000573407721 459671484 /nfs/dbraw/zinc/67/14/84/459671484.db2.gz XTTIHBRBNHIOMC-GOSISDBHSA-N 2 0 339.474 3.472 20 0 EGADRP Fc1c(Br)ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000527638559 459680504 /nfs/dbraw/zinc/68/05/04/459680504.db2.gz VMMHWKPJKPLOKW-NEPJUHHUSA-N 2 0 345.231 3.444 20 0 EGADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCCCC1 ZINC000543740180 459693081 /nfs/dbraw/zinc/69/30/81/459693081.db2.gz BKKYRPLODQDWQG-CBPXPLCBSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000563064524 459707883 /nfs/dbraw/zinc/70/78/83/459707883.db2.gz MRQSHNQKMMYAPI-OXQOHEQNSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000563064522 459707949 /nfs/dbraw/zinc/70/79/49/459707949.db2.gz MRQSHNQKMMYAPI-JXFKEZNVSA-N 2 0 343.515 3.065 20 0 EGADRP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)CCCN1C ZINC000527705922 459708357 /nfs/dbraw/zinc/70/83/57/459708357.db2.gz RRDFTHYPFIYNQP-FXAWDEMLSA-N 2 0 337.471 3.074 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[NH2+][C@H]2CC)c1 ZINC000563090419 459714296 /nfs/dbraw/zinc/71/42/96/459714296.db2.gz NVFVHRUAHIDILF-PMACEKPBSA-N 2 0 345.531 3.313 20 0 EGADRP CCc1nn(C)c(CC)c1C[NH2+][C@]1(C)CCN(Cc2ccccc2)C1 ZINC000563270847 459752238 /nfs/dbraw/zinc/75/22/38/459752238.db2.gz CUFSDXKADRJCJO-OAQYLSRUSA-N 2 0 340.515 3.299 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000573958377 459762236 /nfs/dbraw/zinc/76/22/36/459762236.db2.gz GSHYJAMXEBZWFZ-HUUCEWRRSA-N 2 0 337.533 3.025 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC)CC2)c2ccccc21 ZINC000574174749 459788733 /nfs/dbraw/zinc/78/87/33/459788733.db2.gz JFJJTFLCCQUWIH-UXHICEINSA-N 2 0 344.499 3.490 20 0 EGADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000528004681 459793280 /nfs/dbraw/zinc/79/32/80/459793280.db2.gz RQLDXRNTKZEPAA-WCORJRIASA-N 2 0 328.500 3.299 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000566108973 459806314 /nfs/dbraw/zinc/80/63/14/459806314.db2.gz HVOCREOQDOWXQR-JOCHJYFZSA-N 2 0 340.511 3.453 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000566230137 459826426 /nfs/dbraw/zinc/82/64/26/459826426.db2.gz KYABDZRCYAGXFG-QAPCUYQASA-N 2 0 334.479 3.334 20 0 EGADRP COC(=O)c1ccc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000597068254 459829801 /nfs/dbraw/zinc/82/98/01/459829801.db2.gz VVFWAEISJCVUOM-MRXNPFEDSA-N 2 0 336.451 3.070 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000593320251 459840362 /nfs/dbraw/zinc/84/03/62/459840362.db2.gz BQUYJOPIBJJAAB-PBHICJAKSA-N 2 0 336.451 3.276 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000574648885 459848550 /nfs/dbraw/zinc/84/85/50/459848550.db2.gz OGAQOOZOQCEQDO-QGZVFWFLSA-N 3 0 333.520 3.010 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000574688195 459854141 /nfs/dbraw/zinc/85/41/41/459854141.db2.gz HJIKOWDODHZCAB-ZWKOTPCHSA-N 2 0 345.874 3.149 20 0 EGADRP CC1=CCN(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000545865176 459863261 /nfs/dbraw/zinc/86/32/61/459863261.db2.gz FXFANJKBIRTSPZ-BHIFYINESA-N 2 0 339.527 3.139 20 0 EGADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000546229955 459904798 /nfs/dbraw/zinc/90/47/98/459904798.db2.gz KFSNIDDOELSQEV-HNNXBMFYSA-N 2 0 329.488 3.344 20 0 EGADRP COc1ccc(C)cc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710764 459974692 /nfs/dbraw/zinc/97/46/92/459974692.db2.gz VUWJTVOWQYRCMF-QZTJIDSGSA-N 2 0 346.515 3.325 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)c2ccccc21 ZINC000621750347 460047269 /nfs/dbraw/zinc/04/72/69/460047269.db2.gz NREWLZDSBCSHIP-APWZRJJASA-N 2 0 329.488 3.196 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)c2ccccc2)o1 ZINC000625184734 460062837 /nfs/dbraw/zinc/06/28/37/460062837.db2.gz UPXMTHCLTMCLCE-UHFFFAOYSA-N 2 0 343.471 3.330 20 0 EGADRP COC(=O)c1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc1F ZINC000603111432 460245249 /nfs/dbraw/zinc/24/52/49/460245249.db2.gz QWXNTWIDOPFORE-UHFFFAOYSA-N 2 0 336.451 3.310 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000603411264 460300539 /nfs/dbraw/zinc/30/05/39/460300539.db2.gz SDPNSTRSETYXNZ-HNNXBMFYSA-N 2 0 343.475 3.245 20 0 EGADRP C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611276385 460326917 /nfs/dbraw/zinc/32/69/17/460326917.db2.gz NDVKAFHRJMYFPF-OHUBLEDJSA-N 2 0 327.516 3.190 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)C1(F)F ZINC000628391377 460396727 /nfs/dbraw/zinc/39/67/27/460396727.db2.gz YGFCHZHOVMJJOJ-GJZGRUSLSA-N 2 0 326.431 3.350 20 0 EGADRP CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000626159521 460404578 /nfs/dbraw/zinc/40/45/78/460404578.db2.gz OPTIWBANSBZDKA-NRFANRHFSA-N 2 0 343.515 3.163 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)C1 ZINC000604390109 460418519 /nfs/dbraw/zinc/41/85/19/460418519.db2.gz RWMAVVRLRLPCKY-DLBGWFIVSA-N 2 0 345.575 3.305 20 0 EGADRP Cc1cc(C)c([C@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000604389368 460418548 /nfs/dbraw/zinc/41/85/48/460418548.db2.gz ZKEDRZZDTZRQOV-VQTJNVASSA-N 2 0 329.532 3.385 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)C(C)C)cc2)C1 ZINC000619899555 460465717 /nfs/dbraw/zinc/46/57/17/460465717.db2.gz QVCZEZWNCUQPCN-LJQANCHMSA-N 2 0 331.504 3.131 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733849 460497228 /nfs/dbraw/zinc/49/72/28/460497228.db2.gz PQKKRCRLRKUMFE-QGZVFWFLSA-N 2 0 330.451 3.188 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000634732901 460498316 /nfs/dbraw/zinc/49/83/16/460498316.db2.gz ROYXACQBVCQOKM-RLLQIKCJSA-N 2 0 329.532 3.407 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000631667729 460501281 /nfs/dbraw/zinc/50/12/81/460501281.db2.gz RNXVQBKIVPQZKE-POAQFYNOSA-N 2 0 338.499 3.155 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761690 460513873 /nfs/dbraw/zinc/51/38/73/460513873.db2.gz HDMJFAXCZHEGFN-CQSZACIVSA-N 2 0 343.471 3.002 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635337979 460750189 /nfs/dbraw/zinc/75/01/89/460750189.db2.gz NYLOPMBBNORTGG-FQEVSTJZSA-N 2 0 343.515 3.160 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623889524 460764277 /nfs/dbraw/zinc/76/42/77/460764277.db2.gz PAGPDQVYOSFHMO-STQMWFEESA-N 2 0 347.400 3.131 20 0 EGADRP c1nc2c(s1)CCC[C@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000623907877 460771319 /nfs/dbraw/zinc/77/13/19/460771319.db2.gz HMFHCUGBXMDTPC-MRXNPFEDSA-N 2 0 328.485 3.422 20 0 EGADRP COC(=O)C1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000601289910 460778049 /nfs/dbraw/zinc/77/80/49/460778049.db2.gz WECBDYZLVPMPKG-OXHPOLQJSA-N 2 0 344.499 3.076 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543452 460802747 /nfs/dbraw/zinc/80/27/47/460802747.db2.gz BTRQKXJFRBTEFA-BMFZPTHFSA-N 2 0 325.859 3.307 20 0 EGADRP COc1cccc(CCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629561887 460809552 /nfs/dbraw/zinc/80/95/52/460809552.db2.gz LDKWCYYYAMWCMM-GOEBONIOSA-N 2 0 330.394 3.087 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CCCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561848 460809899 /nfs/dbraw/zinc/80/98/99/460809899.db2.gz JVHZTHPZRZENBI-HOTGVXAUSA-N 2 0 330.394 3.052 20 0 EGADRP O[C@H](C[NH2+]C[C@H](Cc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000629564000 460811266 /nfs/dbraw/zinc/81/12/66/460811266.db2.gz JANUFPWVOLUCGT-FCHUYYIVSA-N 2 0 338.495 3.059 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000624121691 460871505 /nfs/dbraw/zinc/87/15/05/460871505.db2.gz BBIOELVFPVPLRA-UKRRQHHQSA-N 2 0 325.522 3.023 20 0 EGADRP COc1cccc(OC)c1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000629709829 460881743 /nfs/dbraw/zinc/88/17/43/460881743.db2.gz GPGPTZCRSFIQJD-UHFFFAOYSA-N 2 0 326.440 3.294 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)ccc21 ZINC000632953665 460905816 /nfs/dbraw/zinc/90/58/16/460905816.db2.gz SXTMKSJOLMROHV-SJLPKXTDSA-N 2 0 344.503 3.135 20 0 EGADRP Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000637906531 461116739 /nfs/dbraw/zinc/11/67/39/461116739.db2.gz AGDRNBUKXDMALS-IBGZPJMESA-N 2 0 330.520 3.459 20 0 EGADRP CCCCc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348557 461142162 /nfs/dbraw/zinc/14/21/62/461142162.db2.gz IDUUODAFNMMTTN-YQQAZPJKSA-N 2 0 337.533 3.204 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000652347772 461142399 /nfs/dbraw/zinc/14/23/99/461142399.db2.gz LMHBTPRISROMIW-QRQLOZEOSA-N 2 0 336.907 3.491 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652354186 461150099 /nfs/dbraw/zinc/15/00/99/461150099.db2.gz PEQKABXQMRMPCR-WBVHZDCISA-N 2 0 328.460 3.119 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCc2c(F)cccc2Cl)C1 ZINC000652362373 461154363 /nfs/dbraw/zinc/15/43/63/461154363.db2.gz FQNUBKHBGIUURT-XWIAVFTESA-N 2 0 340.870 3.382 20 0 EGADRP Fc1ccc(SCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000662275132 461161204 /nfs/dbraw/zinc/16/12/04/461161204.db2.gz SLEJJQKEMPHAOY-ZIAGYGMSSA-N 2 0 326.456 3.378 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(C[NH+](C)C2CCCCC2)nn1 ZINC000641169405 461161745 /nfs/dbraw/zinc/16/17/45/461161745.db2.gz MBNMPUZKCNKQTI-LJQANCHMSA-N 2 0 333.524 3.306 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662280053 461162014 /nfs/dbraw/zinc/16/20/14/461162014.db2.gz BWWLHQYMCDVRMW-VQIMIIECSA-N 2 0 345.512 3.057 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295342 461172028 /nfs/dbraw/zinc/17/20/28/461172028.db2.gz QGPUGZSSPQDLQF-LJQANCHMSA-N 2 0 344.499 3.500 20 0 EGADRP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297793 461174547 /nfs/dbraw/zinc/17/45/47/461174547.db2.gz RTKJMIKXJKYPLI-QGZVFWFLSA-N 2 0 340.471 3.257 20 0 EGADRP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298360 461176060 /nfs/dbraw/zinc/17/60/60/461176060.db2.gz VRYLONVPYQWWPD-HOCLYGCPSA-N 2 0 340.471 3.108 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])no2)cc1 ZINC000662314000 461186500 /nfs/dbraw/zinc/18/65/00/461186500.db2.gz LGBJNSBOICGNCE-RHSMWYFYSA-N 2 0 344.459 3.085 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2nc3ccccc3s2)[C@@H]1CCC[NH3+] ZINC000662317476 461190249 /nfs/dbraw/zinc/19/02/49/461190249.db2.gz QSFSBICZIXVOSV-UKRRQHHQSA-N 2 0 346.500 3.074 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@]2(c3ccccc3)CC2(C)C)CC1 ZINC000662339859 461198416 /nfs/dbraw/zinc/19/84/16/461198416.db2.gz FEWUSZIZGIOWTE-NRFANRHFSA-N 2 0 329.532 3.318 20 0 EGADRP Cc1ccc([C@H](CNC(=O)c2cccc3c2C[NH2+]C3)[NH+]2CCCC2)cc1 ZINC000662425376 461239026 /nfs/dbraw/zinc/23/90/26/461239026.db2.gz GTZGBHHYYWSAEQ-NRFANRHFSA-N 2 0 349.478 3.165 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000638120848 461253794 /nfs/dbraw/zinc/25/37/94/461253794.db2.gz APUZRNPHDCLWBK-YQQAZPJKSA-N 2 0 337.533 3.011 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662524531 461281797 /nfs/dbraw/zinc/28/17/97/461281797.db2.gz XZTABMRDEWORNB-VQIMIIECSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)O[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702460 461286624 /nfs/dbraw/zinc/28/66/24/461286624.db2.gz DXTDHGJYTRJYJE-OALUTQOASA-N 2 0 326.525 3.155 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662674704 461343170 /nfs/dbraw/zinc/34/31/70/461343170.db2.gz FTRWLJXLSWTBOU-APWZRJJASA-N 2 0 343.515 3.065 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662674706 461343879 /nfs/dbraw/zinc/34/38/79/461343879.db2.gz FTRWLJXLSWTBOU-QFBILLFUSA-N 2 0 343.515 3.065 20 0 EGADRP [NH3+]C1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC2(CCC2)C1 ZINC000662684417 461345570 /nfs/dbraw/zinc/34/55/70/461345570.db2.gz YMMRJOURGVARIG-UHFFFAOYSA-N 2 0 327.472 3.273 20 0 EGADRP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000662701736 461351023 /nfs/dbraw/zinc/35/10/23/461351023.db2.gz RGUFGOCRFXZZFX-IBGZPJMESA-N 2 0 343.515 3.067 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000633953231 461351505 /nfs/dbraw/zinc/35/15/05/461351505.db2.gz AAKZUSKEPUBTIO-SFHVURJKSA-N 2 0 335.536 3.118 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638312975 461360135 /nfs/dbraw/zinc/36/01/35/461360135.db2.gz LVVWLVXQKWQFGU-APWZRJJASA-N 2 0 331.504 3.065 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](OC)C1CCOCC1 ZINC000638313254 461362224 /nfs/dbraw/zinc/36/22/24/461362224.db2.gz SHCPGHIHEAOLOR-FQEVSTJZSA-N 2 0 334.504 3.060 20 0 EGADRP CC[N@H+](CCN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638479454 461447744 /nfs/dbraw/zinc/44/77/44/461447744.db2.gz MYWWEFKMCCMYJZ-WIYYLYMNSA-N 2 0 327.516 3.428 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000668820343 461450972 /nfs/dbraw/zinc/45/09/72/461450972.db2.gz UHVDQUJVLITELS-LPHOPBHVSA-N 2 0 346.515 3.434 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042816 461495810 /nfs/dbraw/zinc/49/58/10/461495810.db2.gz TZYQMZXXRIBRPC-MRXNPFEDSA-N 2 0 325.456 3.309 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653109146 461505186 /nfs/dbraw/zinc/50/51/86/461505186.db2.gz WCEYVDFUESCXCY-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653112192 461507218 /nfs/dbraw/zinc/50/72/18/461507218.db2.gz PNNISFVBSJCKAZ-SFHVURJKSA-N 2 0 329.488 3.043 20 0 EGADRP COc1cc2[nH+]ccc(N3CCC[C@@H](C)[C@@H]3CC[NH3+])c2cc1OC ZINC000663243094 461524746 /nfs/dbraw/zinc/52/47/46/461524746.db2.gz WZEFWLAARFVQRF-CJNGLKHVSA-N 2 0 329.444 3.206 20 0 EGADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631091103 461540522 /nfs/dbraw/zinc/54/05/22/461540522.db2.gz KKXUSULUDRGZQB-SFTDATJTSA-N 2 0 342.458 3.446 20 0 EGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000647200194 461561565 /nfs/dbraw/zinc/56/15/65/461561565.db2.gz OZCJEGVIQVIISZ-GOSISDBHSA-N 2 0 338.442 3.311 20 0 EGADRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(-c2ccccc2)n1 ZINC000663345018 461574563 /nfs/dbraw/zinc/57/45/63/461574563.db2.gz FNKDENYXYVNDMC-GOSISDBHSA-N 2 0 338.499 3.299 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]CCCc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000638797398 461584889 /nfs/dbraw/zinc/58/48/89/461584889.db2.gz QSYXPFQSSAPLKH-UYAOXDASSA-N 2 0 340.515 3.243 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000653253236 461590966 /nfs/dbraw/zinc/59/09/66/461590966.db2.gz MESSPPWHJFGOCA-YJBOKZPZSA-N 2 0 349.544 3.432 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000643057128 461598939 /nfs/dbraw/zinc/59/89/39/461598939.db2.gz AGZZOPKCNDVAOU-XLIONFOSSA-N 2 0 326.440 3.280 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000647302888 461623712 /nfs/dbraw/zinc/62/37/12/461623712.db2.gz YTEHFQBNCODNNA-HXUWFJFHSA-N 2 0 347.547 3.398 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CSc3ccc(Br)cc32)C1 ZINC000656198807 461644025 /nfs/dbraw/zinc/64/40/25/461644025.db2.gz WTGYTDSECDCEFE-WZRBSPASSA-N 2 0 327.291 3.455 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000656201350 461645541 /nfs/dbraw/zinc/64/55/41/461645541.db2.gz WHCQBUAZJGUHKN-GHJWDPDVSA-N 2 0 331.287 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000663465936 461655311 /nfs/dbraw/zinc/65/53/11/461655311.db2.gz ZSMBNIQYELQLJK-OHTSDLOESA-N 2 0 334.504 3.219 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)[C@H]1OC ZINC000639047621 461688880 /nfs/dbraw/zinc/68/88/80/461688880.db2.gz MAPBKMPIYVKAJS-OBJCFNGXSA-N 2 0 344.499 3.137 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455508 461732515 /nfs/dbraw/zinc/73/25/15/461732515.db2.gz NTBZRZYKSIROQN-JLJPHGGASA-N 2 0 341.421 3.391 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c(F)c1 ZINC000643462945 461734529 /nfs/dbraw/zinc/73/45/29/461734529.db2.gz RDYBHPCXZSDYQR-PBWTXFEYSA-N 2 0 349.469 3.444 20 0 EGADRP COc1cc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000639118750 461739692 /nfs/dbraw/zinc/73/96/92/461739692.db2.gz QNUZPCDYKKQGRO-FXAWDEMLSA-N 2 0 339.483 3.133 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643523071 461753272 /nfs/dbraw/zinc/75/32/72/461753272.db2.gz WANOKVHEPULZBW-UKRRQHHQSA-N 2 0 339.277 3.395 20 0 EGADRP CCn1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC000647543346 461756131 /nfs/dbraw/zinc/75/61/31/461756131.db2.gz LOUYNGGRTDQLMV-IAGOWNOFSA-N 2 0 326.488 3.268 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536443 461756462 /nfs/dbraw/zinc/75/64/62/461756462.db2.gz QVVWPHOFLVZCPJ-ABAIWWIYSA-N 2 0 341.268 3.251 20 0 EGADRP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536959 461756498 /nfs/dbraw/zinc/75/64/98/461756498.db2.gz XMECWHNZFFGIFW-GJZGRUSLSA-N 2 0 326.362 3.304 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643539257 461758848 /nfs/dbraw/zinc/75/88/48/461758848.db2.gz SWCUFDDWOFFGEI-DAXOMENPSA-N 2 0 341.293 3.386 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643545811 461759050 /nfs/dbraw/zinc/75/90/50/461759050.db2.gz CMPFRUZXPPRBON-ZFWWWQNUSA-N 2 0 327.472 3.242 20 0 EGADRP Brc1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543944 461759298 /nfs/dbraw/zinc/75/92/98/461759298.db2.gz URYDVXNDQDBTOL-LSDHHAIUSA-N 2 0 338.293 3.056 20 0 EGADRP CCOCc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544359 461759921 /nfs/dbraw/zinc/75/99/21/461759921.db2.gz ZLHMLHZBXRBCSQ-OALUTQOASA-N 2 0 346.515 3.443 20 0 EGADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643548042 461761513 /nfs/dbraw/zinc/76/15/13/461761513.db2.gz LZAMFQMREMHODI-JJAZEVLHSA-N 2 0 337.305 3.358 20 0 EGADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549926 461762701 /nfs/dbraw/zinc/76/27/01/461762701.db2.gz XZDKFZYQYCTWPZ-QLFBSQMISA-N 2 0 328.378 3.105 20 0 EGADRP CC1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cccs2)CC1 ZINC000647550490 461763374 /nfs/dbraw/zinc/76/33/74/461763374.db2.gz UDRYCMOMMOPDTQ-FCGDIQPGSA-N 2 0 347.572 3.499 20 0 EGADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OCc1ccccc1 ZINC000647552154 461764607 /nfs/dbraw/zinc/76/46/07/461764607.db2.gz IPMKKLIXWFLGDT-JKSUJKDBSA-N 2 0 328.456 3.490 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647788203 461835603 /nfs/dbraw/zinc/83/56/03/461835603.db2.gz DOUASGIAPFBQTJ-RCCFBDPRSA-N 2 0 332.488 3.352 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)n1 ZINC000647788326 461835870 /nfs/dbraw/zinc/83/58/70/461835870.db2.gz HXWJBSFQSGPMQW-VAMGGRTRSA-N 2 0 338.499 3.009 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647788921 461836010 /nfs/dbraw/zinc/83/60/10/461836010.db2.gz VJZQFWNZZSYXDX-YPAWHYETSA-N 3 0 341.543 3.396 20 0 EGADRP FC(F)(F)c1ccccc1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647791757 461836688 /nfs/dbraw/zinc/83/66/88/461836688.db2.gz MKKGYKGOGIRQFF-MGPQQGTHSA-N 2 0 328.378 3.062 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000647791871 461836910 /nfs/dbraw/zinc/83/69/10/461836910.db2.gz OXZUOQOXCRVGKE-YNEHKIRRSA-N 2 0 327.241 3.066 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000666855541 461837418 /nfs/dbraw/zinc/83/74/18/461837418.db2.gz YYUQQTKPMYFQMJ-AWEZNQCLSA-N 2 0 326.868 3.369 20 0 EGADRP Fc1cc(Br)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000647796785 461840168 /nfs/dbraw/zinc/84/01/68/461840168.db2.gz NSWRVOAXSBZMIL-CKYFFXLPSA-N 2 0 345.231 3.205 20 0 EGADRP c1ccc(COc2cnccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647796592 461840504 /nfs/dbraw/zinc/84/05/04/461840504.db2.gz FXHYSRPRQWIBEJ-YZGWKJHDSA-N 2 0 337.467 3.138 20 0 EGADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798941 461840832 /nfs/dbraw/zinc/84/08/32/461840832.db2.gz ZEVJVXTWWQCUJR-YESZJQIVSA-N 2 0 346.544 3.032 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cn21 ZINC000647803931 461844540 /nfs/dbraw/zinc/84/45/40/461844540.db2.gz DRFILFPCULRVTF-GUDVDZBRSA-N 2 0 326.488 3.086 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1OCC(C)C ZINC000666950897 461885433 /nfs/dbraw/zinc/88/54/33/461885433.db2.gz PMAIVQKJEWHGKH-LJQANCHMSA-N 2 0 332.488 3.352 20 0 EGADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647936649 461893470 /nfs/dbraw/zinc/89/34/70/461893470.db2.gz JDBNPGPQANQPTD-IUODEOHRSA-N 2 0 343.393 3.093 20 0 EGADRP CC(C)N(C)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656784576 461894628 /nfs/dbraw/zinc/89/46/28/461894628.db2.gz CCQBPBABQOWDQP-IBGZPJMESA-N 2 0 330.520 3.138 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000650708062 461901050 /nfs/dbraw/zinc/90/10/50/461901050.db2.gz SQTFKPDSKGOGIS-KFKAGJAMSA-N 2 0 343.446 3.092 20 0 EGADRP C[C@H]1C[C@H](C[N@@H+]2CCc3sc(Br)cc3C2)CC[NH2+]1 ZINC000656791037 461901042 /nfs/dbraw/zinc/90/10/42/461901042.db2.gz CZJRHFZDXOSIFD-WDEREUQCSA-N 2 0 329.307 3.257 20 0 EGADRP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708192 461901461 /nfs/dbraw/zinc/90/14/61/461901461.db2.gz VBBHOGWDDTWZGT-ZNMIVQPWSA-N 2 0 337.533 3.159 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650707545 461901553 /nfs/dbraw/zinc/90/15/53/461901553.db2.gz IJJZGJWOQMJVRB-QEEHTWDDSA-N 2 0 332.488 3.017 20 0 EGADRP c1ccc(COc2cccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c2)nc1 ZINC000666998464 461905928 /nfs/dbraw/zinc/90/59/28/461905928.db2.gz VFOVUHVLMUGYLE-SFHVURJKSA-N 2 0 337.467 3.425 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1F ZINC000650717868 461909994 /nfs/dbraw/zinc/90/99/94/461909994.db2.gz PLGRBBHPUQCJFD-CYBMUJFWSA-N 2 0 334.410 3.401 20 0 EGADRP CC(C)(C)c1nc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722785 461914919 /nfs/dbraw/zinc/91/49/19/461914919.db2.gz BGOYDRAWLVJQQA-BMFZPTHFSA-N 2 0 337.533 3.301 20 0 EGADRP CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)c2O1 ZINC000650723665 461916316 /nfs/dbraw/zinc/91/63/16/461916316.db2.gz ROICSYKFLMOGGI-GUDVDZBRSA-N 2 0 344.499 3.261 20 0 EGADRP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723825 461916683 /nfs/dbraw/zinc/91/66/83/461916683.db2.gz UOHVXIKXLTZZEH-USXIJHARSA-N 2 0 337.533 3.202 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000650753506 461935387 /nfs/dbraw/zinc/93/53/87/461935387.db2.gz OTTQCNPPOHADQP-HNNXBMFYSA-N 3 0 345.462 3.076 20 0 EGADRP CC1([NH3+])CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1 ZINC000667099604 461949298 /nfs/dbraw/zinc/94/92/98/461949298.db2.gz GWSZNTUEOJVKON-UHFFFAOYSA-N 2 0 326.400 3.219 20 0 EGADRP C[NH+]1CCC2(CC1)CN(Cc1cc(F)cc(C(F)(F)F)c1)CCO2 ZINC000648071513 461968057 /nfs/dbraw/zinc/96/80/57/461968057.db2.gz GIBZPAQVWPKSFK-UHFFFAOYSA-N 2 0 346.368 3.141 20 0 EGADRP CN(CCC[NH+]1CCN(C)CC1)Cc1cc(Cl)cc(Cl)c1F ZINC000639551300 461985010 /nfs/dbraw/zinc/98/50/10/461985010.db2.gz LGSHHDPYXXWLEZ-UHFFFAOYSA-N 2 0 348.293 3.202 20 0 EGADRP CC[C@@H](CC(F)F)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000660835833 461991124 /nfs/dbraw/zinc/99/11/24/461991124.db2.gz ZBEXZHPTMPESAG-INIZCTEOSA-N 2 0 331.495 3.160 20 0 EGADRP CC(C)O[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000644672422 462031795 /nfs/dbraw/zinc/03/17/95/462031795.db2.gz KUFGKBDJLVEMFM-HXUWFJFHSA-N 2 0 325.456 3.370 20 0 EGADRP c1ccc(COCCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639702904 462068077 /nfs/dbraw/zinc/06/80/77/462068077.db2.gz GNMJAGBELSOUAI-UHFFFAOYSA-N 2 0 325.456 3.201 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cnc2n1CCC2 ZINC000657399225 462098424 /nfs/dbraw/zinc/09/84/24/462098424.db2.gz QYVMQXIXOFOZMP-IRXDYDNUSA-N 3 0 338.499 3.076 20 0 EGADRP Cc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC000667616002 462174065 /nfs/dbraw/zinc/17/40/65/462174065.db2.gz FYGFCZMNWROFFO-NRFANRHFSA-N 2 0 338.499 3.217 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667688329 462216157 /nfs/dbraw/zinc/21/61/57/462216157.db2.gz NPXAVAKZOFFJPG-QGZVFWFLSA-N 2 0 330.520 3.306 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000648659469 462216885 /nfs/dbraw/zinc/21/68/85/462216885.db2.gz HMMSHMPPBWFGHR-UHFFFAOYSA-N 2 0 325.456 3.154 20 0 EGADRP [NH3+]Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000667732955 462236664 /nfs/dbraw/zinc/23/66/64/462236664.db2.gz XKUSOSYHSLWGRX-UHFFFAOYSA-N 2 0 338.455 3.063 20 0 EGADRP COc1cccc(-c2n[nH]cc2C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000651600500 462273901 /nfs/dbraw/zinc/27/39/01/462273901.db2.gz YAAPTVHENPWSKW-UHFFFAOYSA-N 2 0 328.460 3.049 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1)c1ccccc1 ZINC000648784586 462276750 /nfs/dbraw/zinc/27/67/50/462276750.db2.gz XLIQTAFQBKHFHO-ZHALLVOQSA-N 2 0 343.515 3.106 20 0 EGADRP c1nc([C@H]2CCCO2)sc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813322 462279325 /nfs/dbraw/zinc/27/93/25/462279325.db2.gz OCZVMAMRKXXOPV-QGZVFWFLSA-N 2 0 335.517 3.206 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657813703 462279940 /nfs/dbraw/zinc/27/99/40/462279940.db2.gz YDERGTHDIFXKLI-UHFFFAOYSA-N 2 0 330.520 3.138 20 0 EGADRP COc1cc2c(cc1C[NH2+]CC1CC[NH+](CC3CC3)CC1)O[C@H](C)C2 ZINC000657812191 462280097 /nfs/dbraw/zinc/28/00/97/462280097.db2.gz NXOMCKMVRULHPQ-OAHLLOKOSA-N 2 0 344.499 3.230 20 0 EGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H](c1ccccc1)[NH+](C)C ZINC000667849896 462293037 /nfs/dbraw/zinc/29/30/37/462293037.db2.gz INHQSOQBBFIBDP-AUUYWEPGSA-N 2 0 338.455 3.103 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000657882017 462307596 /nfs/dbraw/zinc/30/75/96/462307596.db2.gz WGWUQESVQAULEB-RBUKOAKNSA-N 2 0 338.923 3.488 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C2CC2)c1 ZINC000645409056 462315603 /nfs/dbraw/zinc/31/56/03/462315603.db2.gz RVRBHLWXZQSZDZ-OXJNMPFZSA-N 2 0 327.516 3.383 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C2CC2)c1 ZINC000645409055 462316111 /nfs/dbraw/zinc/31/61/11/462316111.db2.gz RVRBHLWXZQSZDZ-JXFKEZNVSA-N 2 0 327.516 3.383 20 0 EGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OC1CCCC1 ZINC000665238467 462363620 /nfs/dbraw/zinc/36/36/20/462363620.db2.gz YWYYHGHGIOCDGO-QXSJWSMHSA-N 2 0 334.426 3.387 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254621 462370006 /nfs/dbraw/zinc/37/00/06/462370006.db2.gz VPOZEQWYPZSLDC-HUYLIWGRSA-N 2 0 333.495 3.172 20 0 EGADRP [NH3+][C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000665253436 462370644 /nfs/dbraw/zinc/37/06/44/462370644.db2.gz QQXNTVAUPLESNC-NWTFUFRBSA-N 2 0 343.421 3.145 20 0 EGADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000665289216 462387105 /nfs/dbraw/zinc/38/71/05/462387105.db2.gz JCBNQAYZHCOFSC-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP COc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000665294541 462389063 /nfs/dbraw/zinc/38/90/63/462389063.db2.gz QQEDAADQOJUEHL-NQIIRXRSSA-N 2 0 338.451 3.349 20 0 EGADRP CO[C@@](C)(C[NH2+]C1CC[NH+](C(C)C)CC1)COCc1ccccc1 ZINC000658131304 462396166 /nfs/dbraw/zinc/39/61/66/462396166.db2.gz BRCJPJMJUZXGAB-FQEVSTJZSA-N 2 0 334.504 3.071 20 0 EGADRP CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531708 462430283 /nfs/dbraw/zinc/43/02/83/462430283.db2.gz PIRIVUYSZREVQJ-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)CC(C)(C)[NH3+])ccc21 ZINC000645810378 462433876 /nfs/dbraw/zinc/43/38/76/462433876.db2.gz DNMOKBZFEJFJJU-UHFFFAOYSA-N 2 0 330.476 3.049 20 0 EGADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000652150209 462451555 /nfs/dbraw/zinc/45/15/55/462451555.db2.gz PGPDCGRYEMZXSN-HXUWFJFHSA-N 2 0 325.456 3.111 20 0 EGADRP CCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658286775 462455274 /nfs/dbraw/zinc/45/52/74/462455274.db2.gz UZEFZGCDPDOQGO-XSDIEEQYSA-N 2 0 327.516 3.256 20 0 EGADRP CCC[N@@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658286773 462455671 /nfs/dbraw/zinc/45/56/71/462455671.db2.gz UZEFZGCDPDOQGO-MXEMCNAFSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)C1 ZINC000658305350 462467794 /nfs/dbraw/zinc/46/77/94/462467794.db2.gz ZHLVCFNAVVZZET-LMMKCTJWSA-N 2 0 349.563 3.266 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)CCC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000649303755 462472002 /nfs/dbraw/zinc/47/20/02/462472002.db2.gz ACEDFXOFQGQIRS-GOSISDBHSA-N 2 0 331.504 3.093 20 0 EGADRP CC[N@H+](CCCNC(=O)NC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000652208756 462472593 /nfs/dbraw/zinc/47/25/93/462472593.db2.gz OGGLSCPDNRYZOX-IBGZPJMESA-N 2 0 346.519 3.030 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000658342693 462482738 /nfs/dbraw/zinc/48/27/38/462482738.db2.gz DXCYDDAGPMMNDU-PWIZWCRZSA-N 2 0 343.515 3.048 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000658344497 462482977 /nfs/dbraw/zinc/48/29/77/462482977.db2.gz PERDFUVKJAPGAV-WOJBJXKFSA-N 2 0 343.515 3.190 20 0 EGADRP c1ccc([C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2cncnc2)cc1 ZINC000658357316 462487963 /nfs/dbraw/zinc/48/79/63/462487963.db2.gz STRWMSZPKZSXHN-NRFANRHFSA-N 2 0 336.483 3.278 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[C@@H](C)[NH3+] ZINC000649378515 462493074 /nfs/dbraw/zinc/49/30/74/462493074.db2.gz CHDLXXIVLIMJPZ-SCTDSRPQSA-N 2 0 337.552 3.109 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000640890007 462529375 /nfs/dbraw/zinc/52/93/75/462529375.db2.gz HUQWJGFENATPAQ-GOSISDBHSA-N 2 0 335.536 3.118 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000181518243 527973357 /nfs/dbraw/zinc/97/33/57/527973357.db2.gz YJKXLZIEIXTJKC-ROUUACIJSA-N 2 0 341.503 3.286 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000132408589 528464129 /nfs/dbraw/zinc/46/41/29/528464129.db2.gz MRDCYJPHUXLXPC-AZUAARDMSA-N 2 0 331.548 3.214 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000153919009 528772468 /nfs/dbraw/zinc/77/24/68/528772468.db2.gz MTMXBTYBKAMHQU-IBGZPJMESA-N 2 0 331.504 3.083 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1)C(C)C ZINC000187006246 528772815 /nfs/dbraw/zinc/77/28/15/528772815.db2.gz JNFXGQAZQCKMBK-UHFFFAOYSA-N 2 0 345.531 3.473 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000154470001 529143494 /nfs/dbraw/zinc/14/34/94/529143494.db2.gz HJUACECIKGSMJM-HNNXBMFYSA-N 2 0 325.447 3.033 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000338051047 535576486 /nfs/dbraw/zinc/57/64/86/535576486.db2.gz BVFONPBKFANVKF-QGZVFWFLSA-N 2 0 333.520 3.377 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236825304 535654344 /nfs/dbraw/zinc/65/43/44/535654344.db2.gz CBCCUQIAYUYYBB-PMACEKPBSA-N 2 0 339.483 3.276 20 0 EGADRP CCn1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350513373 536052996 /nfs/dbraw/zinc/05/29/96/536052996.db2.gz PFJIZCMIKSKGPX-VQTJNVASSA-N 2 0 326.488 3.075 20 0 EGADRP C[C@H]([NH2+]Cc1cc(F)ccc1Br)C1CC[NH+](C)CC1 ZINC000038039067 546539369 /nfs/dbraw/zinc/53/93/69/546539369.db2.gz VVSDBTYBRKKMJO-NSHDSACASA-N 2 0 329.257 3.408 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)ccc2Br)CC1 ZINC000087787974 546636580 /nfs/dbraw/zinc/63/65/80/546636580.db2.gz DWVXIYJARUSIOV-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000089510727 546644718 /nfs/dbraw/zinc/64/47/18/546644718.db2.gz JTKVQJSLXICHLE-KRWDZBQOSA-N 2 0 343.515 3.133 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000090403716 546656330 /nfs/dbraw/zinc/65/63/30/546656330.db2.gz KIQNULYFOONQPM-HNNXBMFYSA-N 2 0 344.528 3.050 20 0 EGADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](CO)C(C)(C)C ZINC000093837546 546688566 /nfs/dbraw/zinc/68/85/66/546688566.db2.gz KJVDNGRKNPBNSQ-IBGZPJMESA-N 2 0 334.504 3.000 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000119059527 546701331 /nfs/dbraw/zinc/70/13/31/546701331.db2.gz CLMWLYRTBNEINZ-LAUBAEHRSA-N 2 0 347.547 3.398 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000127655331 546770970 /nfs/dbraw/zinc/77/09/70/546770970.db2.gz HJIFRKFPYUGIMG-UHFFFAOYSA-N 2 0 330.451 3.018 20 0 EGADRP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000128088892 546776973 /nfs/dbraw/zinc/77/69/73/546776973.db2.gz HRZXDOUYZOHJGB-HNNXBMFYSA-N 2 0 332.492 3.036 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)N1CC[NH+](C)CC1 ZINC000134383001 546829166 /nfs/dbraw/zinc/82/91/66/546829166.db2.gz JHOHEGCAPWNVTM-MLGOLLRUSA-N 2 0 342.314 3.206 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000135220455 546832093 /nfs/dbraw/zinc/83/20/93/546832093.db2.gz HYQGFBOYMWYTQD-ZACQAIPSSA-N 2 0 347.503 3.217 20 0 EGADRP COc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC(F)F ZINC000153721908 546883329 /nfs/dbraw/zinc/88/33/29/546883329.db2.gz YBRWLQQLZBSWDH-ZDUSSCGKSA-N 2 0 342.430 3.159 20 0 EGADRP CCO[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000155467873 546902970 /nfs/dbraw/zinc/90/29/70/546902970.db2.gz BRFMZBBSICTWDE-HXUWFJFHSA-N 2 0 345.531 3.218 20 0 EGADRP CCC[NH+]1CCC(Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CC1 ZINC000184652442 547111752 /nfs/dbraw/zinc/11/17/52/547111752.db2.gz RILDHISORMMKTH-UHFFFAOYSA-N 2 0 346.519 3.172 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000237349167 547255895 /nfs/dbraw/zinc/25/58/95/547255895.db2.gz ANWRRPCXYRDMHN-OAHLLOKOSA-N 2 0 341.455 3.043 20 0 EGADRP COc1cccc2cc([C@H](C)[NH2+]CC(C)(C)N3CC[NH+](C)CC3)oc21 ZINC000327316084 547478929 /nfs/dbraw/zinc/47/89/29/547478929.db2.gz SPOKXXWXEFPGJD-HNNXBMFYSA-N 2 0 345.487 3.118 20 0 EGADRP Clc1cnc(NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000339072743 547567873 /nfs/dbraw/zinc/56/78/73/547567873.db2.gz YUPJWLIOPZSBIG-OLZOCXBDSA-N 2 0 329.275 3.017 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339067264 547567950 /nfs/dbraw/zinc/56/79/50/547567950.db2.gz FSUQBSSYWZWBBP-SJORKVTESA-N 2 0 332.488 3.198 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000339068711 547568177 /nfs/dbraw/zinc/56/81/77/547568177.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 2 0 327.516 3.256 20 0 EGADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072183 547568820 /nfs/dbraw/zinc/56/88/20/547568820.db2.gz UATDODAKWUSSOA-RTWAWAEBSA-N 3 0 327.516 3.389 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000339250084 547572262 /nfs/dbraw/zinc/57/22/62/547572262.db2.gz VRZZVISGNPJCDL-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000343949413 547606124 /nfs/dbraw/zinc/60/61/24/547606124.db2.gz YNZWYYSVPCJJRC-IBGZPJMESA-N 2 0 340.471 3.059 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928037 547861379 /nfs/dbraw/zinc/86/13/79/547861379.db2.gz PUAVSOLTBQRTDB-RTBURBONSA-N 2 0 326.488 3.216 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000415062098 547863755 /nfs/dbraw/zinc/86/37/55/547863755.db2.gz ZPSQSBMZQUIHHC-OAHLLOKOSA-N 2 0 326.366 3.015 20 0 EGADRP O[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)N(Cc2ccccc2)C1 ZINC000459457783 547943155 /nfs/dbraw/zinc/94/31/55/547943155.db2.gz PZKXTKVWNQWWQN-FCHUYYIVSA-N 2 0 336.479 3.289 20 0 EGADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc2c[nH+]cn2c1 ZINC000670782325 548235717 /nfs/dbraw/zinc/23/57/17/548235717.db2.gz IREZIUVXSNKLAS-FQEVSTJZSA-N 2 0 348.450 3.291 20 0 EGADRP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000671497764 548298435 /nfs/dbraw/zinc/29/84/35/548298435.db2.gz YUQIWZFHOZWBPK-BIRZXAFVSA-N 2 0 342.527 3.428 20 0 EGADRP Cc1csc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000675744258 548972545 /nfs/dbraw/zinc/97/25/45/548972545.db2.gz LTBLKOQBQOTZCA-HNNXBMFYSA-N 2 0 333.501 3.285 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000675873471 548995682 /nfs/dbraw/zinc/99/56/82/548995682.db2.gz MGYHLJRDVVLGEB-LIRRHRJNSA-N 2 0 333.907 3.085 20 0 EGADRP CCn1ccnc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000677129210 549214072 /nfs/dbraw/zinc/21/40/72/549214072.db2.gz OACVNYBXIAGLQE-HKUYNNGSSA-N 2 0 326.488 3.293 20 0 EGADRP CC1(C)C[C@H](NC[C@H]2CC[NH+](C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677748418 549325309 /nfs/dbraw/zinc/32/53/09/549325309.db2.gz LPWXMXJKYPDGIJ-MOPGFXCFSA-N 2 0 327.516 3.113 20 0 EGADRP Cc1nccn1CC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000677981264 549369001 /nfs/dbraw/zinc/36/90/01/549369001.db2.gz ZRDWGWVMSDYGDV-GHMZBOCLSA-N 2 0 329.288 3.254 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)nc2C)[C@H](C)C1 ZINC000678426054 549489406 /nfs/dbraw/zinc/48/94/06/549489406.db2.gz FDXDDFVOPRCKEK-BPAFIMBUSA-N 2 0 333.520 3.486 20 0 EGADRP Fc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)ccc1Cl ZINC000678608955 549531329 /nfs/dbraw/zinc/53/13/29/549531329.db2.gz DHMOUJOGYXRYCE-SOUVJXGZSA-N 2 0 337.870 3.274 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678765900 549556342 /nfs/dbraw/zinc/55/63/42/549556342.db2.gz IQQLDSNGJRPBGX-NQIIRXRSSA-N 2 0 329.532 3.317 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000679189268 549653158 /nfs/dbraw/zinc/65/31/58/549653158.db2.gz UMBPOUSVIZPVOZ-QGZVFWFLSA-N 2 0 339.483 3.193 20 0 EGADRP C[C@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000680828090 549915309 /nfs/dbraw/zinc/91/53/09/549915309.db2.gz QEACQNAKBLRFMK-LIRRHRJNSA-N 2 0 346.906 3.483 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683769875 550259466 /nfs/dbraw/zinc/25/94/66/550259466.db2.gz FOFWJMUASNQWNZ-UTKZUKDTSA-N 2 0 341.499 3.461 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683771798 550260228 /nfs/dbraw/zinc/26/02/28/550260228.db2.gz OZLLJGVCMYZXDG-NHCUHLMSSA-N 2 0 339.483 3.092 20 0 EGADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000684826589 550374170 /nfs/dbraw/zinc/37/41/70/550374170.db2.gz ZRJWFDKRFDFNGP-FQEVSTJZSA-N 2 0 345.531 3.473 20 0 EGADRP C[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457378 550419117 /nfs/dbraw/zinc/41/91/17/550419117.db2.gz YHDILJDSMAEDEE-HXUWFJFHSA-N 2 0 327.516 3.164 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648162 550435862 /nfs/dbraw/zinc/43/58/62/550435862.db2.gz WKOWUHBWAJGHHD-YQQAZPJKSA-N 2 0 347.532 3.136 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc3ccccc3c2)C[C@H](C)O1 ZINC000727469155 574669963 /nfs/dbraw/zinc/66/99/63/574669963.db2.gz WNMAGAHOBOQFAQ-CALCHBBNSA-N 2 0 327.472 3.214 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C3CCCCC3)CC2)CC1 ZINC000733996154 575420107 /nfs/dbraw/zinc/42/01/07/575420107.db2.gz QQMAMSLESJJRRD-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc(N2CC[C@H]([NH+]3CCC(C[N@@H+](C)C(C)C)CC3)C2=O)cc1 ZINC000741781484 576720325 /nfs/dbraw/zinc/72/03/25/576720325.db2.gz BFSQDBDTKDXDRZ-FQEVSTJZSA-N 2 0 343.515 3.153 20 0 EGADRP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000693698133 1298151619 /nfs/dbraw/zinc/15/16/19/1298151619.db2.gz TWQRCQVVVYRPIK-AQNXPRMDSA-N 2 0 327.516 3.017 20 0 EGADRP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000048779482 1291618094 /nfs/dbraw/zinc/61/80/94/1291618094.db2.gz QIUDZOSUUOXICP-HNNXBMFYSA-N 2 0 330.451 3.427 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3cccc4c3OCO4)CC2)c1 ZINC000057973441 1291873584 /nfs/dbraw/zinc/87/35/84/1291873584.db2.gz BRMLZTAGNOPLHH-UHFFFAOYSA-N 2 0 344.480 3.479 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1F ZINC000067121011 1292146989 /nfs/dbraw/zinc/14/69/89/1292146989.db2.gz CLCUDCPHXOEOHG-UHFFFAOYSA-N 2 0 341.474 3.171 20 0 EGADRP CCc1oc2ccccc2c1C[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000067671488 1292168031 /nfs/dbraw/zinc/16/80/31/1292168031.db2.gz QTVUCIVCPOKLCE-MRXNPFEDSA-N 2 0 329.488 3.111 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000069447353 1292242334 /nfs/dbraw/zinc/24/23/34/1292242334.db2.gz NAOPQLRZWBLVTB-LJQANCHMSA-N 2 0 329.488 3.485 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(Br)c2)CC1 ZINC000070189099 1292256186 /nfs/dbraw/zinc/25/61/86/1292256186.db2.gz CJNKOWPIEQVKTP-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000827864318 1292390501 /nfs/dbraw/zinc/39/05/01/1292390501.db2.gz UVXZBWJWZHCAQB-MJGOQNOKSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1)N1CC[NH+](C)CC1 ZINC000075763119 1292409660 /nfs/dbraw/zinc/40/96/60/1292409660.db2.gz FZKDGIMPQFYKFX-OAQYLSRUSA-N 2 0 325.500 3.201 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000828391846 1292461090 /nfs/dbraw/zinc/46/10/90/1292461090.db2.gz BZZHEPMDXCBAAT-INIZCTEOSA-N 2 0 348.362 3.061 20 0 EGADRP CCC(CC)(CNC(=O)C[C@H]([NH3+])C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000829237434 1292556240 /nfs/dbraw/zinc/55/62/40/1292556240.db2.gz YSVDZRLKRIJRKL-QAPCUYQASA-N 2 0 331.504 3.140 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000090937351 1292807728 /nfs/dbraw/zinc/80/77/28/1292807728.db2.gz IVJFYLKFSDUXNS-MRXNPFEDSA-N 2 0 343.471 3.272 20 0 EGADRP Cc1c(Cl)cnn1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092294993 1292860862 /nfs/dbraw/zinc/86/08/62/1292860862.db2.gz UPBAZQUECOTLOR-UHFFFAOYSA-N 2 0 347.894 3.436 20 0 EGADRP CSC(C)(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092410040 1292867177 /nfs/dbraw/zinc/86/71/77/1292867177.db2.gz CUYSDVPISXQIHG-UHFFFAOYSA-N 2 0 341.952 3.323 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093507508 1292923883 /nfs/dbraw/zinc/92/38/83/1292923883.db2.gz UDFYGJNLHZTJQC-CTNGQTDRSA-N 2 0 344.499 3.162 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)cc(OC)c2)c1 ZINC000105449797 1293037324 /nfs/dbraw/zinc/03/73/24/1293037324.db2.gz XPBUJWNXJHPFMN-UHFFFAOYSA-N 2 0 328.456 3.445 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000105442189 1293037882 /nfs/dbraw/zinc/03/78/82/1293037882.db2.gz WLCNJTGGJPSPJI-HNNXBMFYSA-N 2 0 343.437 3.069 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000120730558 1293335343 /nfs/dbraw/zinc/33/53/43/1293335343.db2.gz WJQLUBHKAMPENV-FUHWJXTLSA-N 2 0 334.504 3.345 20 0 EGADRP CC1CC[NH+](CCCNC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000121719035 1293385227 /nfs/dbraw/zinc/38/52/27/1293385227.db2.gz BUPQLDYPCMKCMS-UHFFFAOYSA-N 3 0 343.559 3.405 20 0 EGADRP Cc1cncc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000123198738 1293436825 /nfs/dbraw/zinc/43/68/25/1293436825.db2.gz CEIDSDGPWMZJMO-UHFFFAOYSA-N 2 0 325.456 3.154 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000124430334 1293475289 /nfs/dbraw/zinc/47/52/89/1293475289.db2.gz DZMMAFLWVVAGCY-KRWDZBQOSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@@H](Cc1cccc(Br)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126395614 1293532599 /nfs/dbraw/zinc/53/25/99/1293532599.db2.gz OLFJHWNQCUXYKC-ZDUSSCGKSA-N 2 0 325.294 3.312 20 0 EGADRP CCN(c1ccccc1)c1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131469234 1293691156 /nfs/dbraw/zinc/69/11/56/1293691156.db2.gz FZSLWJQUQAQLPR-OAQYLSRUSA-N 2 0 341.499 3.247 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000150994877 1293901643 /nfs/dbraw/zinc/90/16/43/1293901643.db2.gz NVWCWNUATFMNDS-OAHLLOKOSA-N 2 0 339.530 3.318 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3cnccn23)C1 ZINC000156613958 1294151509 /nfs/dbraw/zinc/15/15/09/1294151509.db2.gz HHYPRCHUJUCSKW-KRWDZBQOSA-N 2 0 349.482 3.251 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000157623742 1294183249 /nfs/dbraw/zinc/18/32/49/1294183249.db2.gz NNDBODOPBZAIQB-CYBMUJFWSA-N 2 0 349.302 3.448 20 0 EGADRP C[NH+](C)C1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCC1 ZINC000158820422 1294216806 /nfs/dbraw/zinc/21/68/06/1294216806.db2.gz UHKPHCREBWOCQM-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000161137826 1294285758 /nfs/dbraw/zinc/28/57/58/1294285758.db2.gz KTLQKSKGVDWLJW-VQIMIIECSA-N 2 0 346.475 3.026 20 0 EGADRP CC(C)N(CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000166513203 1294363182 /nfs/dbraw/zinc/36/31/82/1294363182.db2.gz XUMPNYZPONHSJC-DLBZAZTESA-N 2 0 339.524 3.238 20 0 EGADRP O[C@@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)c1ccccc1 ZINC000172328660 1294433150 /nfs/dbraw/zinc/43/31/50/1294433150.db2.gz QYLVOMXDENKACH-NRFANRHFSA-N 2 0 333.435 3.090 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000182554671 1295058105 /nfs/dbraw/zinc/05/81/05/1295058105.db2.gz TZAZHLLULQESLP-ULQDDVLXSA-N 2 0 339.524 3.096 20 0 EGADRP Clc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000182967298 1295089187 /nfs/dbraw/zinc/08/91/87/1295089187.db2.gz PDFCZWBIWLJYAA-UHFFFAOYSA-N 2 0 337.895 3.059 20 0 EGADRP C[C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[NH+]1CCCCCC1 ZINC000193407010 1295863802 /nfs/dbraw/zinc/86/38/02/1295863802.db2.gz QOSGTDBFNDKURH-OXJNMPFZSA-N 2 0 339.483 3.220 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000870891721 1296131939 /nfs/dbraw/zinc/13/19/39/1296131939.db2.gz JGSVONFGWIUOHM-MTFMMBMASA-N 2 0 343.515 3.015 20 0 EGADRP Cc1noc(C)c1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000237418846 1296240947 /nfs/dbraw/zinc/24/09/47/1296240947.db2.gz QAWSKHOALHBKJP-HUUCEWRRSA-N 2 0 343.471 3.190 20 0 EGADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000237544370 1296249305 /nfs/dbraw/zinc/24/93/05/1296249305.db2.gz CURIIUZEEICXFL-INIZCTEOSA-N 2 0 342.487 3.054 20 0 EGADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000245710766 1296320872 /nfs/dbraw/zinc/32/08/72/1296320872.db2.gz STTBISYHYSNAII-MDZRGWNJSA-N 2 0 346.471 3.383 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@@H](C)C1 ZINC000250133273 1296455282 /nfs/dbraw/zinc/45/52/82/1296455282.db2.gz XODGPPFZEBTFDJ-VVLHAWIVSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251007159 1296457944 /nfs/dbraw/zinc/45/79/44/1296457944.db2.gz SFPZHISVELAIPQ-IVMMDQJWSA-N 2 0 325.294 3.487 20 0 EGADRP CCc1ccc(-c2noc(CN3CCC(CC[NH2+]C)CC3)n2)cc1 ZINC000261997282 1296614417 /nfs/dbraw/zinc/61/44/17/1296614417.db2.gz OEOWUDUVVPLGCR-UHFFFAOYSA-N 2 0 328.460 3.121 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)Sc2ccccc21 ZINC000872034397 1296683854 /nfs/dbraw/zinc/68/38/54/1296683854.db2.gz NLPZQTJRDFZIJF-WBVHZDCISA-N 2 0 333.545 3.228 20 0 EGADRP C[N@H+](CCCCCC[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000872157455 1296776129 /nfs/dbraw/zinc/77/61/29/1296776129.db2.gz OQUAEGHBPNYNPY-MRXNPFEDSA-N 2 0 341.858 3.035 20 0 EGADRP O[C@@H](C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000872223392 1296828102 /nfs/dbraw/zinc/82/81/02/1296828102.db2.gz QXGUCKOROSGHRI-QGZVFWFLSA-N 2 0 344.421 3.192 20 0 EGADRP O[C@H](C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000872223391 1296829747 /nfs/dbraw/zinc/82/97/47/1296829747.db2.gz QXGUCKOROSGHRI-KRWDZBQOSA-N 2 0 344.421 3.192 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[C@H]1c1cccs1 ZINC000872285658 1296897384 /nfs/dbraw/zinc/89/73/84/1296897384.db2.gz BQAVOSICZPDFAD-DFGXFYAUSA-N 2 0 349.544 3.155 20 0 EGADRP COc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000305069781 1296966124 /nfs/dbraw/zinc/96/61/24/1296966124.db2.gz KSCIRVKTLYNRAJ-HXUWFJFHSA-N 2 0 332.488 3.115 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000310056349 1297085839 /nfs/dbraw/zinc/08/58/39/1297085839.db2.gz LPFDBKVNHXNGTP-INIZCTEOSA-N 2 0 333.476 3.465 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H](n2cncn2)C1 ZINC000340260218 1297309929 /nfs/dbraw/zinc/30/99/29/1297309929.db2.gz QEBBJLVOYADVQW-AYOQOUSVSA-N 2 0 331.508 3.004 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H](n2cncn2)C1 ZINC000340260219 1297309961 /nfs/dbraw/zinc/30/99/61/1297309961.db2.gz QEBBJLVOYADVQW-LZQZEXGQSA-N 2 0 331.508 3.004 20 0 EGADRP CCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000873204393 1297350295 /nfs/dbraw/zinc/35/02/95/1297350295.db2.gz ABBCCKGAZVFOSM-JQHSSLGASA-N 2 0 334.529 3.419 20 0 EGADRP COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204353 1297351096 /nfs/dbraw/zinc/35/10/96/1297351096.db2.gz DLZOFZMTCPROJO-CQSZACIVSA-N 2 0 330.497 3.465 20 0 EGADRP c1c(C[NH+]2CCC(Cc3cccnc3)CC2)sc2c1C[NH2+]CC2 ZINC000873208325 1297353682 /nfs/dbraw/zinc/35/36/82/1297353682.db2.gz MNQKBDZIQOCTNI-UHFFFAOYSA-N 2 0 327.497 3.244 20 0 EGADRP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000873232653 1297374966 /nfs/dbraw/zinc/37/49/66/1297374966.db2.gz UTCRAKYQYFPWIL-ZQIUZPCESA-N 2 0 337.533 3.316 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232985 1297375279 /nfs/dbraw/zinc/37/52/79/1297375279.db2.gz VDYPXNIIJSAPSG-GOSISDBHSA-N 2 0 325.456 3.342 20 0 EGADRP FC(F)(F)C1CCC(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000873244747 1297385888 /nfs/dbraw/zinc/38/58/88/1297385888.db2.gz JTWCFAQBEGNDOJ-UHFFFAOYSA-N 2 0 328.382 3.024 20 0 EGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873250091 1297390817 /nfs/dbraw/zinc/39/08/17/1297390817.db2.gz DMAJRVTXBYLYKF-CVAIRZPRSA-N 2 0 328.431 3.445 20 0 EGADRP COc1ccc(C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000873254574 1297392336 /nfs/dbraw/zinc/39/23/36/1297392336.db2.gz XCQSKVWXUBDOHE-PLMTUMEDSA-N 2 0 340.467 3.315 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873263549 1297396183 /nfs/dbraw/zinc/39/61/83/1297396183.db2.gz JIUMCDODCZBRPN-LELZANKISA-N 3 0 327.516 3.017 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1OC ZINC000873261921 1297396481 /nfs/dbraw/zinc/39/64/81/1297396481.db2.gz TVCXMSLXSDKYRR-PLYYQAHHSA-N 2 0 332.488 3.063 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873291965 1297414599 /nfs/dbraw/zinc/41/45/99/1297414599.db2.gz JHQIVYHCLYZYEP-UFYCRDLUSA-N 2 0 328.500 3.245 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cnc2ccsc2c1 ZINC000873293291 1297415521 /nfs/dbraw/zinc/41/55/21/1297415521.db2.gz YUJKQJPUAPMCHE-ZFWWWQNUSA-N 2 0 331.485 3.106 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293025 1297416224 /nfs/dbraw/zinc/41/62/24/1297416224.db2.gz XCEWGCFTXKHAAF-OALUTQOASA-N 2 0 334.479 3.141 20 0 EGADRP C[C@@H](CC[NH2+][C@@H]1CCOC2(CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000379637657 1297536100 /nfs/dbraw/zinc/53/61/00/1297536100.db2.gz SXIPTHOKEBULOX-AZUAARDMSA-N 2 0 346.515 3.215 20 0 EGADRP Cc1csc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000393555918 1297669721 /nfs/dbraw/zinc/66/97/21/1297669721.db2.gz XUNHWOYYCFAELO-UHFFFAOYSA-N 2 0 329.513 3.291 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000393933311 1297673944 /nfs/dbraw/zinc/67/39/44/1297673944.db2.gz MEMRNILLPARQPZ-CVEARBPZSA-N 2 0 339.524 3.286 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000393934526 1297674060 /nfs/dbraw/zinc/67/40/60/1297674060.db2.gz YSAXHZWEZCQVHN-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000398044891 1297711801 /nfs/dbraw/zinc/71/18/01/1297711801.db2.gz QYUPUJHWLTUZLS-RXVVDRJESA-N 2 0 331.548 3.463 20 0 EGADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000398044888 1297712185 /nfs/dbraw/zinc/71/21/85/1297712185.db2.gz QYUPUJHWLTUZLS-NQIIRXRSSA-N 2 0 331.548 3.463 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)[C@H](C)C1 ZINC000421829262 1297793164 /nfs/dbraw/zinc/79/31/64/1297793164.db2.gz HHRSJCGXZJRSRZ-RLLQIKCJSA-N 2 0 345.531 3.056 20 0 EGADRP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444800273 1297859931 /nfs/dbraw/zinc/85/99/31/1297859931.db2.gz JAKSFNONBJBDAB-OLZOCXBDSA-N 2 0 343.456 3.472 20 0 EGADRP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444793706 1297860368 /nfs/dbraw/zinc/86/03/68/1297860368.db2.gz QGJAQUTXBYCJQF-QWHCGFSZSA-N 2 0 343.456 3.472 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700805372 1298179319 /nfs/dbraw/zinc/17/93/19/1298179319.db2.gz SHZVTBPWZOIEQO-IAGOWNOFSA-N 2 0 341.540 3.105 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700802426 1298179912 /nfs/dbraw/zinc/17/99/12/1298179912.db2.gz IWGRHKGUANXJBL-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP CN(Cc1ccccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1)C(=O)OC(C)(C)C ZINC000724069254 1298346808 /nfs/dbraw/zinc/34/68/08/1298346808.db2.gz PBRZTNOXRLPFQP-YJBOKZPZSA-N 2 0 347.503 3.271 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000749117557 1299147452 /nfs/dbraw/zinc/14/74/52/1299147452.db2.gz NDCMDFRJLSRCOU-UHFFFAOYSA-N 2 0 337.511 3.469 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000877528493 1299371031 /nfs/dbraw/zinc/37/10/31/1299371031.db2.gz BOVFWYDURSRLOZ-PVXIVEMSSA-N 2 0 331.287 3.489 20 0 EGADRP C[C@@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000877745923 1299524287 /nfs/dbraw/zinc/52/42/87/1299524287.db2.gz DJJSMHJGADVCJM-INIZCTEOSA-N 2 0 335.923 3.155 20 0 EGADRP CC(C)Cc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747202 1299525902 /nfs/dbraw/zinc/52/59/02/1299525902.db2.gz CFAUCWLLJRTGSN-UHFFFAOYSA-N 2 0 329.532 3.097 20 0 EGADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1ccccc1 ZINC000877832706 1299600729 /nfs/dbraw/zinc/60/07/29/1299600729.db2.gz PTNRHRUBOOQGEK-PMACEKPBSA-N 2 0 325.456 3.152 20 0 EGADRP CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000752802351 1299797377 /nfs/dbraw/zinc/79/73/77/1299797377.db2.gz IGUXWNFHSOIMGD-HXUWFJFHSA-N 2 0 349.563 3.427 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000878445171 1300008701 /nfs/dbraw/zinc/00/87/01/1300008701.db2.gz DVIVIRWYZLIJQO-YZGWKJHDSA-N 2 0 328.500 3.446 20 0 EGADRP C[NH+]1CCC2(CCN(CC(=O)c3c[nH]c4ccccc34)CC2)CC1 ZINC000879249220 1300452697 /nfs/dbraw/zinc/45/26/97/1300452697.db2.gz JGYLLMAUKLOPCV-UHFFFAOYSA-N 2 0 325.456 3.158 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000883387137 1302426387 /nfs/dbraw/zinc/42/63/87/1302426387.db2.gz SCLUKZABQUXNLD-SFTDATJTSA-N 2 0 335.451 3.472 20 0 EGADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CCCC1 ZINC000766334049 1302432091 /nfs/dbraw/zinc/43/20/91/1302432091.db2.gz VUKXTUVKWSQHPO-HZPDHXFCSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000767000897 1302562255 /nfs/dbraw/zinc/56/22/55/1302562255.db2.gz IDHYZLUOABZLFR-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)c1 ZINC000884190997 1302767631 /nfs/dbraw/zinc/76/76/31/1302767631.db2.gz SMYZOGFCPGLPHW-SFHVURJKSA-N 2 0 337.423 3.003 20 0 EGADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000884214031 1302773480 /nfs/dbraw/zinc/77/34/80/1302773480.db2.gz ROYQJWPHYGUQCX-QFBILLFUSA-N 2 0 345.531 3.338 20 0 EGADRP CC[N@H+](CCc1ccccn1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000769033056 1303034280 /nfs/dbraw/zinc/03/42/80/1303034280.db2.gz IHYARAVETKTERW-UHFFFAOYSA-N 2 0 327.472 3.087 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000769384917 1303103916 /nfs/dbraw/zinc/10/39/16/1303103916.db2.gz ZIHDVVNMLSTMIH-UHFFFAOYSA-N 2 0 348.459 3.278 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C[C@@H](C(C)C)CC2=O)CC1)CC1CC1 ZINC000770685413 1303306655 /nfs/dbraw/zinc/30/66/55/1303306655.db2.gz OLBXAQUPIQFYCN-FQEVSTJZSA-N 2 0 349.563 3.282 20 0 EGADRP C[C@H](NC(=O)CCCC[NH+]1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000771509116 1303414745 /nfs/dbraw/zinc/41/47/45/1303414745.db2.gz PKBNXZIVOISSPV-FXAWDEMLSA-N 2 0 331.504 3.060 20 0 EGADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCC(C)([NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000886610363 1303522159 /nfs/dbraw/zinc/52/21/59/1303522159.db2.gz ABJQIZXWJXSFBF-ZMBMEPKQSA-N 2 0 347.547 3.020 20 0 EGADRP CCC1([NH+]2CCC2)CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000886718416 1303578574 /nfs/dbraw/zinc/57/85/74/1303578574.db2.gz ZJFYCIPHEPMPED-FQEVSTJZSA-N 2 0 327.516 3.211 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000773072298 1303619531 /nfs/dbraw/zinc/61/95/31/1303619531.db2.gz WLOCRMNGSZRZJX-ACRUOGEOSA-N 2 0 328.500 3.340 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@]2(O)CCc3ccccc32)CC1 ZINC000773098153 1303625116 /nfs/dbraw/zinc/62/51/16/1303625116.db2.gz KNKYUFRCXHJWAC-YHYVQYDKSA-N 2 0 342.527 3.453 20 0 EGADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000773142369 1303633326 /nfs/dbraw/zinc/63/33/26/1303633326.db2.gz YGJBJKDSRSTSCR-IBGZPJMESA-N 2 0 325.456 3.108 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C(=O)CC23CCC3)CC1)CC(C)C ZINC000773269184 1303652689 /nfs/dbraw/zinc/65/26/89/1303652689.db2.gz AIYDTGWGWGHRAV-UHFFFAOYSA-N 2 0 335.536 3.179 20 0 EGADRP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000774160702 1303781481 /nfs/dbraw/zinc/78/14/81/1303781481.db2.gz ZRINQQAHYSGLMV-BVPXEZJJSA-N 2 0 336.483 3.193 20 0 EGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000774310424 1303796308 /nfs/dbraw/zinc/79/63/08/1303796308.db2.gz BUMBVYQUZZBNFD-OHSMVPPVSA-N 2 0 343.515 3.444 20 0 EGADRP CC(C)c1ccc(C2(O)CCC([NH2+]CCOCC[NH+](C)C)CC2)cc1 ZINC000774375529 1303803486 /nfs/dbraw/zinc/80/34/86/1303803486.db2.gz BWWLUNDYDTWASO-UHFFFAOYSA-N 2 0 348.531 3.108 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCc2cnn(C)c2)ccc1OC ZINC000775376481 1303948804 /nfs/dbraw/zinc/94/88/04/1303948804.db2.gz QYYOGNGBEZZIJY-INIZCTEOSA-N 2 0 344.503 3.164 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2)cc1C[NH+]1CCCCC1 ZINC000775379328 1303949682 /nfs/dbraw/zinc/94/96/82/1303949682.db2.gz QMIARAOFLKOSOX-IRXDYDNUSA-N 2 0 332.488 3.368 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)CO)cc1C[NH+]1CCCCC1 ZINC000775416225 1303961635 /nfs/dbraw/zinc/96/16/35/1303961635.db2.gz XBRYSANZPVYPFV-MRXNPFEDSA-N 2 0 334.504 3.350 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000888098973 1304033162 /nfs/dbraw/zinc/03/31/62/1304033162.db2.gz SABHKSYMJRGKEN-LBPRGKRZSA-N 2 0 326.282 3.227 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(CF)cc3)CC2)CC1 ZINC000777712114 1304337685 /nfs/dbraw/zinc/33/76/85/1304337685.db2.gz CXFTWKQQTIVNCX-UHFFFAOYSA-N 2 0 333.495 3.147 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000779064102 1304524604 /nfs/dbraw/zinc/52/46/04/1304524604.db2.gz CJAYWTOKVWMKGK-CVEARBPZSA-N 2 0 341.540 3.342 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000781423887 1304826621 /nfs/dbraw/zinc/82/66/21/1304826621.db2.gz UGZASGWFALXKFC-FVTFTPSCSA-N 2 0 341.543 3.361 20 0 EGADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857199134 1328524579 /nfs/dbraw/zinc/52/45/79/1328524579.db2.gz COQXPQPZZXPEOU-UXHICEINSA-N 2 0 343.515 3.052 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H]2C)cc1)C(C)C ZINC000783917288 1305162232 /nfs/dbraw/zinc/16/22/32/1305162232.db2.gz MHDRXEYLHDLCSR-KRWDZBQOSA-N 2 0 331.504 3.131 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NCC1CC[NH+](C)CC1 ZINC000892354812 1305331992 /nfs/dbraw/zinc/33/19/92/1305331992.db2.gz JFVLOQXJGCNLMY-UHFFFAOYSA-N 2 0 333.545 3.298 20 0 EGADRP FC(F)(F)Oc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000892606782 1305467576 /nfs/dbraw/zinc/46/75/76/1305467576.db2.gz CYOILSGFNOIBHQ-GJZGRUSLSA-N 2 0 328.378 3.344 20 0 EGADRP Cc1nc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)sc1C ZINC000892914590 1305606687 /nfs/dbraw/zinc/60/66/87/1305606687.db2.gz VTLQFQIRELORII-UHFFFAOYSA-N 2 0 333.501 3.033 20 0 EGADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1ccc(Br)cc1 ZINC000893078982 1305695071 /nfs/dbraw/zinc/69/50/71/1305695071.db2.gz SRKYCHOYJGDPRS-CYBMUJFWSA-N 2 0 341.293 3.148 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000893113867 1305713831 /nfs/dbraw/zinc/71/38/31/1305713831.db2.gz OFORDZGJXLGKPV-DZFGPLHGSA-N 2 0 328.500 3.074 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2cncn2C)ccc1OC ZINC000788256953 1305909590 /nfs/dbraw/zinc/90/95/90/1305909590.db2.gz KXRKWJCPPBUFCM-MRXNPFEDSA-N 2 0 344.503 3.164 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC[C@H](C)O)cc1C[NH+]1CCCCC1 ZINC000788606068 1305981126 /nfs/dbraw/zinc/98/11/26/1305981126.db2.gz UZBGESCQGDSGNL-IRXDYDNUSA-N 2 0 334.504 3.493 20 0 EGADRP CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000788982426 1306057361 /nfs/dbraw/zinc/05/73/61/1306057361.db2.gz IAJNFVMHCUYGHQ-JKSUJKDBSA-N 2 0 349.519 3.054 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000893939244 1306136247 /nfs/dbraw/zinc/13/62/47/1306136247.db2.gz BZGNRPMCOUEYCQ-UHFFFAOYSA-N 2 0 332.444 3.330 20 0 EGADRP Fc1cccc(/C=C\C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000894065208 1306199545 /nfs/dbraw/zinc/19/95/45/1306199545.db2.gz SWJVRKIRUHPWMT-XQRVVYSFSA-N 2 0 332.463 3.416 20 0 EGADRP C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894074555 1306202870 /nfs/dbraw/zinc/20/28/70/1306202870.db2.gz SILHXQDMFHKQJT-KRWDZBQOSA-N 2 0 338.499 3.087 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000790747810 1308858151 /nfs/dbraw/zinc/85/81/51/1308858151.db2.gz GSAYVBVYICFFSE-HUUCEWRRSA-N 2 0 346.462 3.065 20 0 EGADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2oc(=O)oc2c1 ZINC000894766869 1309059302 /nfs/dbraw/zinc/05/93/02/1309059302.db2.gz WEYICWXDUBXXJU-UHFFFAOYSA-N 2 0 340.423 3.470 20 0 EGADRP C[C@H](CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[NH+](C)C ZINC000895296554 1309275159 /nfs/dbraw/zinc/27/51/59/1309275159.db2.gz OUTIUBJELBRDCI-CQSZACIVSA-N 2 0 341.902 3.373 20 0 EGADRP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000895378557 1309306632 /nfs/dbraw/zinc/30/66/32/1309306632.db2.gz QZQMGIRLNJSSEQ-LPHOPBHVSA-N 2 0 343.515 3.148 20 0 EGADRP CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000793330453 1309349676 /nfs/dbraw/zinc/34/96/76/1309349676.db2.gz IZPPVQMYOSGHNC-QZTJIDSGSA-N 2 0 349.519 3.160 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCN(Cc2ccccc2)c2ccccn2)CC1 ZINC000895935745 1309598814 /nfs/dbraw/zinc/59/88/14/1309598814.db2.gz NOJDKGQMVQRWRA-UHFFFAOYSA-N 2 0 338.499 3.020 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)C2CCOCC2)cc1 ZINC000897450579 1310340545 /nfs/dbraw/zinc/34/05/45/1310340545.db2.gz GFASFMGPAFWAKL-UHFFFAOYSA-N 2 0 334.504 3.169 20 0 EGADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000798957827 1310464027 /nfs/dbraw/zinc/46/40/27/1310464027.db2.gz HZMBGGUTBUXGNC-QGZVFWFLSA-N 2 0 339.524 3.051 20 0 EGADRP C(=C/C[N@@H+]1CC[C@H](c2ccccn2)C1)\C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799192906 1310507197 /nfs/dbraw/zinc/50/71/97/1310507197.db2.gz FBUHRQSRJYNRKS-KJBZUCPPSA-N 2 0 348.494 3.312 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(CCO)cc2)CC1 ZINC000898171064 1310612520 /nfs/dbraw/zinc/61/25/20/1310612520.db2.gz PXGAOYVGFMYGHC-LAUBAEHRSA-N 2 0 330.516 3.354 20 0 EGADRP Cc1ncccc1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000898256458 1310649515 /nfs/dbraw/zinc/64/95/15/1310649515.db2.gz BUMUHGLFVQNFEP-UHFFFAOYSA-N 2 0 339.483 3.197 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc(CC[C@H]3CCC[NH2+]C3)n2)c1 ZINC000857254842 1328525299 /nfs/dbraw/zinc/52/52/99/1328525299.db2.gz NBXCOGKMCNPDST-MRXNPFEDSA-N 2 0 340.471 3.265 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857261707 1328525518 /nfs/dbraw/zinc/52/55/18/1328525518.db2.gz XYBAFMMXIKYLNF-FXAWDEMLSA-N 2 0 345.531 3.346 20 0 EGADRP CCCN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@H+](C)C1 ZINC000857295439 1328526725 /nfs/dbraw/zinc/52/67/25/1328526725.db2.gz PITRCSLQIJOOLO-PMACEKPBSA-N 2 0 343.515 3.052 20 0 EGADRP Clc1ccc2c(n1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000857915450 1328624200 /nfs/dbraw/zinc/62/42/00/1328624200.db2.gz XMVZSVJUPMPCLW-QGZVFWFLSA-N 2 0 349.906 3.203 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC001019259499 1317132169 /nfs/dbraw/zinc/13/21/69/1317132169.db2.gz MECMASPQUKILEP-JLSDUUJJSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019381475 1317206009 /nfs/dbraw/zinc/20/60/09/1317206009.db2.gz JTSDJOIFYWCAJN-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC000957284541 1317259789 /nfs/dbraw/zinc/25/97/89/1317259789.db2.gz WEUGBXCLFQKYFG-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001019465487 1317260637 /nfs/dbraw/zinc/26/06/37/1317260637.db2.gz DNJNMTUJQCSXMN-QUCCMNQESA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552440 1317448884 /nfs/dbraw/zinc/44/88/84/1317448884.db2.gz PMMGMBBUUYLFLN-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957573414 1317471200 /nfs/dbraw/zinc/47/12/00/1317471200.db2.gz XEVGUMBCGQQZPQ-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001020151016 1317565072 /nfs/dbraw/zinc/56/50/72/1317565072.db2.gz HSKFJPXMEQBNMV-WTGUMLROSA-N 2 0 347.547 3.068 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000902335057 1317565559 /nfs/dbraw/zinc/56/55/59/1317565559.db2.gz ICGZFHXPHKTTQE-SJORKVTESA-N 2 0 335.561 3.328 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000902373012 1317569389 /nfs/dbraw/zinc/56/93/89/1317569389.db2.gz VKFSPVPZLNFMHM-SQNIBIBYSA-N 2 0 335.923 3.453 20 0 EGADRP CSc1ccc(Br)cc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000902431760 1317577819 /nfs/dbraw/zinc/57/78/19/1317577819.db2.gz ULJIDAYCXMJPLW-MNOVXSKESA-N 2 0 331.323 3.429 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCOCC1 ZINC000902428794 1317577936 /nfs/dbraw/zinc/57/79/36/1317577936.db2.gz AKTRVWPWMVMVLU-RXVVDRJESA-N 2 0 344.499 3.285 20 0 EGADRP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000957726009 1317591766 /nfs/dbraw/zinc/59/17/66/1317591766.db2.gz JGEKPNNVQNTGOX-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001020214529 1317596368 /nfs/dbraw/zinc/59/63/68/1317596368.db2.gz VYJMSYVKZPBKSI-MLYOOKFZSA-N 2 0 343.515 3.167 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OCC)C2)[C@@H](C)C1 ZINC000902806755 1317618948 /nfs/dbraw/zinc/61/89/48/1317618948.db2.gz NTTCPVRFCABIDW-RDGPPVDQSA-N 2 0 326.525 3.061 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1)C(C)C ZINC000957773032 1317636860 /nfs/dbraw/zinc/63/68/60/1317636860.db2.gz WACUNEXARCEEIO-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)Oc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903098293 1317652027 /nfs/dbraw/zinc/65/20/27/1317652027.db2.gz MSZUMMAHLLOKCS-VZKPYBMVSA-N 2 0 344.499 3.255 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903116331 1317655550 /nfs/dbraw/zinc/65/55/50/1317655550.db2.gz HCNTZWGIDCDOOE-ZPAWYTMASA-N 2 0 328.500 3.052 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020355218 1317657019 /nfs/dbraw/zinc/65/70/19/1317657019.db2.gz SALVQJVOCNLALK-KBAYOESNSA-N 2 0 348.450 3.254 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903150679 1317664083 /nfs/dbraw/zinc/66/40/83/1317664083.db2.gz AAVZCCPECBWSBH-NGMPGZOMSA-N 2 0 339.527 3.254 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201254 1317673858 /nfs/dbraw/zinc/67/38/58/1317673858.db2.gz HCGOGNFPCUUUFE-LAUBAEHRSA-N 2 0 338.499 3.148 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001020396245 1317678093 /nfs/dbraw/zinc/67/80/93/1317678093.db2.gz LOXFKYOEGZZJPS-KBAYOESNSA-N 2 0 348.450 3.254 20 0 EGADRP c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723567 1317724347 /nfs/dbraw/zinc/72/43/47/1317724347.db2.gz IOXPFQMVYJGECJ-PMACEKPBSA-N 2 0 328.500 3.242 20 0 EGADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725832 1317725951 /nfs/dbraw/zinc/72/59/51/1317725951.db2.gz IBPIAFISOCHWII-JSXRDJHFSA-N 2 0 328.500 3.413 20 0 EGADRP Clc1ccc(C2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903751438 1317729799 /nfs/dbraw/zinc/72/97/99/1317729799.db2.gz FDBYWBLJRYQSLY-RBUKOAKNSA-N 2 0 334.891 3.288 20 0 EGADRP Clc1ccc(C2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903751434 1317729816 /nfs/dbraw/zinc/72/98/16/1317729816.db2.gz FDBYWBLJRYQSLY-MOPGFXCFSA-N 2 0 334.891 3.288 20 0 EGADRP Cc1cc(C)cc(C2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903875973 1317741100 /nfs/dbraw/zinc/74/11/00/1317741100.db2.gz UWXIDLODDXAUOX-RTWAWAEBSA-N 2 0 328.500 3.251 20 0 EGADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000903888945 1317742382 /nfs/dbraw/zinc/74/23/82/1317742382.db2.gz NGVSGDCGSZFFHD-QZTJIDSGSA-N 2 0 331.508 3.137 20 0 EGADRP FC1(F)C[C@]2(CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)C1(F)F ZINC000903978950 1317761007 /nfs/dbraw/zinc/76/10/07/1317761007.db2.gz PIVAFODJCJRBSS-ZDUSSCGKSA-N 2 0 334.382 3.260 20 0 EGADRP CC(C)n1ncc2cc(CNC[C@H]3CCCC[N@H+](C)C3)c(Cl)nc21 ZINC000858245169 1328721062 /nfs/dbraw/zinc/72/10/62/1328721062.db2.gz OKZFMQJSEXYVPY-CQSZACIVSA-N 2 0 349.910 3.487 20 0 EGADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904312136 1317828095 /nfs/dbraw/zinc/82/80/95/1317828095.db2.gz MGJZJNCRRPWHSY-FQEVSTJZSA-N 2 0 344.478 3.470 20 0 EGADRP COc1cc([C@H](C)[NH2+]C2CC(C[NH3+])C2)ccc1OCc1ccncc1 ZINC000904359826 1317836181 /nfs/dbraw/zinc/83/61/81/1317836181.db2.gz DRNGLKVNMARWDJ-NXVRBGIVSA-N 2 0 341.455 3.057 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000904406974 1317843764 /nfs/dbraw/zinc/84/37/64/1317843764.db2.gz ZGXQVDKWMJJCGN-SNVBAGLBSA-N 2 0 349.219 3.221 20 0 EGADRP c1ccc2c(c1)C=C(C[NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000904472634 1317851344 /nfs/dbraw/zinc/85/13/44/1317851344.db2.gz NJOBGGQNWQTFTF-UGKGYDQZSA-N 2 0 348.446 3.308 20 0 EGADRP Cc1ccc(F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475713 1317851580 /nfs/dbraw/zinc/85/15/80/1317851580.db2.gz QBQPHRXSAZTKNO-ICSRJNTNSA-N 2 0 326.415 3.480 20 0 EGADRP Cc1ccc(F)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473347 1317851619 /nfs/dbraw/zinc/85/16/19/1317851619.db2.gz IGTLACUTWODGTN-QUCCMNQESA-N 2 0 326.415 3.480 20 0 EGADRP Cc1cc(F)ccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474834 1317851859 /nfs/dbraw/zinc/85/18/59/1317851859.db2.gz LIRNKJYTNOSPNR-UYAOXDASSA-N 2 0 326.415 3.480 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904664243 1317878400 /nfs/dbraw/zinc/87/84/00/1317878400.db2.gz DATXNGIMKAUYJK-IYBDPMFKSA-N 2 0 332.492 3.025 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000809735525 1317882703 /nfs/dbraw/zinc/88/27/03/1317882703.db2.gz JRFLPCOOROMPQR-XHSDSOJGSA-N 2 0 346.462 3.064 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)c1 ZINC001020818515 1317947770 /nfs/dbraw/zinc/94/77/70/1317947770.db2.gz QIDLUDDDMWIAGR-MISYRCLQSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262813 1317989756 /nfs/dbraw/zinc/98/97/56/1317989756.db2.gz XWKQWKHTNDGINT-QRFRQXIXSA-N 2 0 341.499 3.481 20 0 EGADRP COc1ccccc1[C@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCCCC1 ZINC000858354539 1328743153 /nfs/dbraw/zinc/74/31/53/1328743153.db2.gz CVERELVSZHFMOJ-IBGZPJMESA-N 2 0 341.455 3.222 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021274456 1318167254 /nfs/dbraw/zinc/16/72/54/1318167254.db2.gz ZLWZBULMOSAKCW-RAFMOHDBSA-N 2 0 347.547 3.163 20 0 EGADRP CC1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC1 ZINC001021420567 1318241850 /nfs/dbraw/zinc/24/18/50/1318241850.db2.gz NUSAJFVKWJSXCN-YQQQUEKLSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC000960032788 1318320643 /nfs/dbraw/zinc/32/06/43/1318320643.db2.gz GWBMOQIUYXTAJX-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000960091742 1318349707 /nfs/dbraw/zinc/34/97/07/1318349707.db2.gz MDSWIJMEKLTSIU-YZGWKJHDSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000960098977 1318354631 /nfs/dbraw/zinc/35/46/31/1318354631.db2.gz ZUHCALIXPUSSCP-IHPCNDPISA-N 2 0 343.515 3.203 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)C1 ZINC000908504473 1318357492 /nfs/dbraw/zinc/35/74/92/1318357492.db2.gz YJYOEQDAJICMHN-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CC1 ZINC000960116337 1318364826 /nfs/dbraw/zinc/36/48/26/1318364826.db2.gz PIJALFBZEFSFGN-QLOJAFMTSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC000960215485 1318415817 /nfs/dbraw/zinc/41/58/17/1318415817.db2.gz IKRRUGJPYKDMGR-MOPGFXCFSA-N 2 0 343.515 3.123 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000960220257 1318417561 /nfs/dbraw/zinc/41/75/61/1318417561.db2.gz WNFRGMKNKQRSLN-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000909609052 1318500731 /nfs/dbraw/zinc/50/07/31/1318500731.db2.gz UKZIEHLRKLSFDK-UHFFFAOYSA-N 2 0 325.456 3.371 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021690193 1318564588 /nfs/dbraw/zinc/56/45/88/1318564588.db2.gz GQIMRLSEOZXGRC-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858490588 1328777432 /nfs/dbraw/zinc/77/74/32/1328777432.db2.gz KBYNQXBNQVPWHW-IAGOWNOFSA-N 2 0 329.488 3.196 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858491125 1328778540 /nfs/dbraw/zinc/77/85/40/1328778540.db2.gz YSMPWPRZEYYFAS-HOTGVXAUSA-N 2 0 331.460 3.026 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960678927 1318788819 /nfs/dbraw/zinc/78/88/19/1318788819.db2.gz BSHCVYXZTWGKOH-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022071561 1318788936 /nfs/dbraw/zinc/78/89/36/1318788936.db2.gz TYVLJORJSXKZGK-GNBUJSLZSA-N 2 0 343.515 3.166 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001022076758 1318792721 /nfs/dbraw/zinc/79/27/21/1318792721.db2.gz BVDREOBSVWTIMJ-KDURUIRLSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cs1 ZINC001022081879 1318793202 /nfs/dbraw/zinc/79/32/02/1318793202.db2.gz QEPYDKNIKOODBE-CALCHBBNSA-N 2 0 349.544 3.058 20 0 EGADRP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960715818 1318824753 /nfs/dbraw/zinc/82/47/53/1318824753.db2.gz WXUBKSGPVIDUPZ-IBGZPJMESA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022201371 1318838271 /nfs/dbraw/zinc/83/82/71/1318838271.db2.gz HMUHJEMCLBPGQO-OTWHNJEPSA-N 2 0 347.547 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022201973 1318840453 /nfs/dbraw/zinc/84/04/53/1318840453.db2.gz OYPUEEHOIPMAOD-VWAQSERHSA-N 2 0 349.563 3.312 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055426 1318875600 /nfs/dbraw/zinc/87/56/00/1318875600.db2.gz ABKHACURIYYBCH-FUHWJXTLSA-N 2 0 328.456 3.130 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)[NH+]1CCCC1 ZINC001022533648 1318979752 /nfs/dbraw/zinc/97/97/52/1318979752.db2.gz BXFIEKGQYZCQAB-HDICACEKSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001022596031 1319008615 /nfs/dbraw/zinc/00/86/15/1319008615.db2.gz GABSLSINWMMDGT-VPAKFMSCSA-N 2 0 343.515 3.023 20 0 EGADRP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)cs1 ZINC001022806793 1319118880 /nfs/dbraw/zinc/11/88/80/1319118880.db2.gz AGCGXAUEXOCRED-KSZLIROESA-N 2 0 349.544 3.056 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001022806848 1319118924 /nfs/dbraw/zinc/11/89/24/1319118924.db2.gz BUWHBXQIYCCUMO-RLLQIKCJSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001022807725 1319119189 /nfs/dbraw/zinc/11/91/89/1319119189.db2.gz MJMRWLZZBWXSIO-RLLQIKCJSA-N 2 0 347.547 3.378 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001022838531 1319133694 /nfs/dbraw/zinc/13/36/94/1319133694.db2.gz QLXDISYNNBNROU-ZGXWSNOMSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001023124209 1319272685 /nfs/dbraw/zinc/27/26/85/1319272685.db2.gz BZJQHADPHRSCDI-LFGUQSLTSA-N 2 0 349.563 3.457 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)C3)C2)o1 ZINC001023153542 1319298751 /nfs/dbraw/zinc/29/87/51/1319298751.db2.gz JFOAJNIPDPKHQM-UCUFBTAOSA-N 2 0 347.503 3.018 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000817416271 1319355460 /nfs/dbraw/zinc/35/54/60/1319355460.db2.gz XHAHJYIFWYFOHR-JWMHWRSXSA-N 2 0 346.462 3.206 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231091 1319361974 /nfs/dbraw/zinc/36/19/74/1319361974.db2.gz PLRNOEAFNZWLHD-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817573610 1319399733 /nfs/dbraw/zinc/39/97/33/1319399733.db2.gz FYXRDIFLBAIFEM-GFCCVEGCSA-N 2 0 332.311 3.288 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961278998 1319434725 /nfs/dbraw/zinc/43/47/25/1319434725.db2.gz ZPWVNZOLSCJPGV-VQTJNVASSA-N 2 0 349.563 3.076 20 0 EGADRP CCc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc(=O)oc2c1 ZINC000817880418 1319451297 /nfs/dbraw/zinc/45/12/97/1319451297.db2.gz SQTLEZBUWIZYBE-ZQIUZPCESA-N 2 0 328.456 3.161 20 0 EGADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000817897729 1319455452 /nfs/dbraw/zinc/45/54/52/1319455452.db2.gz WLOVBSIMIJEESZ-FYZZASKESA-N 2 0 327.516 3.474 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901962 1319455502 /nfs/dbraw/zinc/45/55/02/1319455502.db2.gz ZXPHDHYHDQDJDS-LSJNQWAISA-N 3 0 330.520 3.296 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817901631 1319455773 /nfs/dbraw/zinc/45/57/73/1319455773.db2.gz DCELEOKCRLQPFT-JBACZVJFSA-N 2 0 340.467 3.016 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000817905510 1319456354 /nfs/dbraw/zinc/45/63/54/1319456354.db2.gz JIHGITNBLMOILO-AEAUEXCSSA-N 2 0 326.843 3.023 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000817906133 1319457128 /nfs/dbraw/zinc/45/71/28/1319457128.db2.gz UTEHHRMGRXRHAD-WWGRRREGSA-N 2 0 328.859 3.413 20 0 EGADRP COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)c21 ZINC000817920919 1319461324 /nfs/dbraw/zinc/46/13/24/1319461324.db2.gz YETIWCVJHWBDNH-ZDUSSCGKSA-N 2 0 338.455 3.232 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000817922479 1319461397 /nfs/dbraw/zinc/46/13/97/1319461397.db2.gz HEBVYMWFQIATMJ-ZOCIIQOWSA-N 2 0 332.875 3.096 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)[C@H]1CCC[NH2+]C1 ZINC000817932799 1319465256 /nfs/dbraw/zinc/46/52/56/1319465256.db2.gz VQKXEKMYQLBZIO-UXLLHSPISA-N 2 0 331.460 3.072 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817969695 1319481070 /nfs/dbraw/zinc/48/10/70/1319481070.db2.gz YBOMEWCXJHROOX-PXNSSMCTSA-N 3 0 345.531 3.474 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000817976992 1319484096 /nfs/dbraw/zinc/48/40/96/1319484096.db2.gz YRAGOSUYKQJKAM-UZLBHIALSA-N 3 0 345.531 3.330 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1C[NH+]1CCCCC1 ZINC000817983076 1319485012 /nfs/dbraw/zinc/48/50/12/1319485012.db2.gz YAENDPSKDCOBDC-ABSDTBQOSA-N 3 0 345.531 3.459 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCC[NH+](CC)C3)CC2)C1 ZINC000961397237 1319551449 /nfs/dbraw/zinc/55/14/49/1319551449.db2.gz SKPXSUMTTIECNK-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961411445 1319567604 /nfs/dbraw/zinc/56/76/04/1319567604.db2.gz NNKNKLKLGKHXAI-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000818942520 1319582587 /nfs/dbraw/zinc/58/25/87/1319582587.db2.gz FTSOJKCZMNRNML-HXUWFJFHSA-N 2 0 328.431 3.245 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961436190 1319588872 /nfs/dbraw/zinc/58/88/72/1319588872.db2.gz SHKGKOGHOLLAME-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000818962736 1319594242 /nfs/dbraw/zinc/59/42/42/1319594242.db2.gz XDSQXLBLCRXZBG-HXUWFJFHSA-N 2 0 330.447 3.489 20 0 EGADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1Cl)C[NH+]1CCCCC1 ZINC000818969674 1319596834 /nfs/dbraw/zinc/59/68/34/1319596834.db2.gz RURGGUAVJIDVNX-DYVFJYSZSA-N 2 0 328.859 3.224 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818985618 1319605811 /nfs/dbraw/zinc/60/58/11/1319605811.db2.gz UAHLUBHWPMEKMQ-RHSMWYFYSA-N 2 0 344.421 3.449 20 0 EGADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000818984043 1319605904 /nfs/dbraw/zinc/60/59/04/1319605904.db2.gz UYIOEVAOJGBUHL-OAQYLSRUSA-N 2 0 348.506 3.363 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000819102645 1319636400 /nfs/dbraw/zinc/63/64/00/1319636400.db2.gz NLVGBBVZXABOAC-IUODEOHRSA-N 2 0 343.309 3.048 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819151822 1319650244 /nfs/dbraw/zinc/65/02/44/1319650244.db2.gz FLWDBOSZSLJTEE-YOEHRIQHSA-N 2 0 344.421 3.306 20 0 EGADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CCCC1 ZINC000819226160 1319674947 /nfs/dbraw/zinc/67/49/47/1319674947.db2.gz ATWDIUMBGGKVCN-MRXNPFEDSA-N 2 0 344.421 3.450 20 0 EGADRP CC(C)(C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC000961838510 1319744525 /nfs/dbraw/zinc/74/45/25/1319744525.db2.gz OGSLEAWQMDBCRD-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023632248 1319753888 /nfs/dbraw/zinc/75/38/88/1319753888.db2.gz HVKWFUWOPZXSTE-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023762115 1319908677 /nfs/dbraw/zinc/90/86/77/1319908677.db2.gz RNIHLXGNGNGMPB-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000823408835 1320177128 /nfs/dbraw/zinc/17/71/28/1320177128.db2.gz RIUDTGABUASYMY-IRXDYDNUSA-N 2 0 341.540 3.057 20 0 EGADRP Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000839005632 1320849473 /nfs/dbraw/zinc/84/94/73/1320849473.db2.gz NLGIDALBKSGBCA-KRWDZBQOSA-N 2 0 328.485 3.483 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000841325434 1321257044 /nfs/dbraw/zinc/25/70/44/1321257044.db2.gz NFDAZPMVODDHSK-UHFFFAOYSA-N 2 0 330.476 3.064 20 0 EGADRP Cc1ccc(C(=O)NC2CC[NH+](CCCCCCC[NH3+])CC2)s1 ZINC000842472052 1321392317 /nfs/dbraw/zinc/39/23/17/1321392317.db2.gz OGIOGLIWZSNPFS-UHFFFAOYSA-N 2 0 337.533 3.160 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474051 1321393242 /nfs/dbraw/zinc/39/32/42/1321393242.db2.gz CFIXVYMVBHVEAE-MAUKXSAKSA-N 2 0 326.440 3.065 20 0 EGADRP O[C@H](C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1cccs1 ZINC000842472901 1321393783 /nfs/dbraw/zinc/39/37/83/1321393783.db2.gz KJDISXYCGKBYDV-SJLPKXTDSA-N 2 0 330.497 3.283 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000843049786 1321461436 /nfs/dbraw/zinc/46/14/36/1321461436.db2.gz UMPFXDZURSCCHC-UHFFFAOYSA-N 2 0 346.906 3.325 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 ZINC000843055940 1321463430 /nfs/dbraw/zinc/46/34/30/1321463430.db2.gz SNZHRAKTAZSFTR-UHFFFAOYSA-N 2 0 349.910 3.487 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCCCC[NH3+])cc1Cl ZINC000843127004 1321474391 /nfs/dbraw/zinc/47/43/91/1321474391.db2.gz LQQPVXBSTLBBIX-CQSZACIVSA-N 2 0 325.884 3.474 20 0 EGADRP CC[NH+](CC)CCOc1ccc(-c2nc([C@H]([NH3+])C(C)C)no2)cc1 ZINC000843150995 1321478735 /nfs/dbraw/zinc/47/87/35/1321478735.db2.gz LZQTUSDJKJYZLJ-MRXNPFEDSA-N 2 0 332.448 3.113 20 0 EGADRP CC(C)[C@H]([NH3+])c1noc(-c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000843153912 1321479666 /nfs/dbraw/zinc/47/96/66/1321479666.db2.gz PWQYMEMSRWTGHD-CPUCHLNUSA-N 2 0 344.459 3.002 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)c1 ZINC000843180559 1321483044 /nfs/dbraw/zinc/48/30/44/1321483044.db2.gz BCWPNPOCDYFKCG-KRWDZBQOSA-N 2 0 326.444 3.017 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)o1 ZINC000848898014 1322037906 /nfs/dbraw/zinc/03/79/06/1322037906.db2.gz OHIOFGQXYREAEA-VOTSOKGWSA-N 2 0 348.487 3.314 20 0 EGADRP Cc1ccccc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849054750 1322061250 /nfs/dbraw/zinc/06/12/50/1322061250.db2.gz JXZASHCGLXLOED-UHFFFAOYSA-N 2 0 336.483 3.274 20 0 EGADRP COc1cccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000849058934 1322061612 /nfs/dbraw/zinc/06/16/12/1322061612.db2.gz VXCBLAAKYGCZRS-SFHVURJKSA-N 2 0 332.492 3.388 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000849058702 1322062236 /nfs/dbraw/zinc/06/22/36/1322062236.db2.gz OTUCHDMRZKUFCN-QZTJIDSGSA-N 2 0 330.520 3.367 20 0 EGADRP COc1cccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000849058933 1322062319 /nfs/dbraw/zinc/06/23/19/1322062319.db2.gz VXCBLAAKYGCZRS-GOSISDBHSA-N 2 0 332.492 3.388 20 0 EGADRP CC(C)CNC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000849061812 1322062981 /nfs/dbraw/zinc/06/29/81/1322062981.db2.gz QHUPTWJKPLJDJZ-IAGOWNOFSA-N 2 0 330.520 3.434 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000850424635 1322244936 /nfs/dbraw/zinc/24/49/36/1322244936.db2.gz LLOVVMDFTYRJFH-AOCRQIFASA-N 2 0 339.524 3.145 20 0 EGADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483164 1322255835 /nfs/dbraw/zinc/25/58/35/1322255835.db2.gz NWYSMSIMPKSWSP-OAQYLSRUSA-N 2 0 328.500 3.463 20 0 EGADRP Fc1cc(C[NH2+]Cc2cnn(C3CCC3)c2)ccc1-n1ccnc1 ZINC000921590156 1322359096 /nfs/dbraw/zinc/35/90/96/1322359096.db2.gz QJGJNDRXZDQKJL-UHFFFAOYSA-N 2 0 325.391 3.223 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000922136185 1322463635 /nfs/dbraw/zinc/46/36/35/1322463635.db2.gz WMKFDQPRHAYGHC-DLBZAZTESA-N 2 0 337.533 3.176 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC000922389514 1322516158 /nfs/dbraw/zinc/51/61/58/1322516158.db2.gz XFGVBDPTRXWOKH-JYBIWHBTSA-N 2 0 344.524 3.471 20 0 EGADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389397 1322516631 /nfs/dbraw/zinc/51/66/31/1322516631.db2.gz UDLJTNWJTVNVHQ-NCYKPQTJSA-N 2 0 346.515 3.043 20 0 EGADRP Cc1ccc2cc(C[NH2+][C@@H]3C[C@@]4(C[N@@H+](C)[C@H]4C(C)C)C[C@H]3O)[nH]c2c1 ZINC000922390972 1322517519 /nfs/dbraw/zinc/51/75/19/1322517519.db2.gz QBUFWOIDYDQOLR-CGXNFDGLSA-N 2 0 341.499 3.046 20 0 EGADRP CCC[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000923325853 1322734563 /nfs/dbraw/zinc/73/45/63/1322734563.db2.gz CKCBYUHTTRSAHB-OAQYLSRUSA-N 2 0 326.484 3.207 20 0 EGADRP O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923358289 1322739736 /nfs/dbraw/zinc/73/97/36/1322739736.db2.gz YDBNWRJQQCINHD-FCHUYYIVSA-N 2 0 338.495 3.065 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000923486136 1322761017 /nfs/dbraw/zinc/76/10/17/1322761017.db2.gz NOIZKYGQLACJFK-ULQDDVLXSA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000924604858 1323071992 /nfs/dbraw/zinc/07/19/92/1323071992.db2.gz RJOOEKRVUXLZMO-FXAWDEMLSA-N 2 0 343.515 3.065 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924627660 1323082796 /nfs/dbraw/zinc/08/27/96/1323082796.db2.gz FUEFMHPFDKQSLU-OAHLLOKOSA-N 2 0 329.488 3.418 20 0 EGADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ncccc1Cl ZINC000924634171 1323084969 /nfs/dbraw/zinc/08/49/69/1323084969.db2.gz AUKXNUACGJXZGC-QGZVFWFLSA-N 2 0 338.927 3.192 20 0 EGADRP C[C@@H](Cn1ccnc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924648385 1323091309 /nfs/dbraw/zinc/09/13/09/1323091309.db2.gz JXPWNJYCLYAVKG-XSLAUPDRSA-N 2 0 338.499 3.447 20 0 EGADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684173 1323112939 /nfs/dbraw/zinc/11/29/39/1323112939.db2.gz JPGKTJRYUMGFCE-FGTMMUONSA-N 2 0 341.503 3.286 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851933684 1323117746 /nfs/dbraw/zinc/11/77/46/1323117746.db2.gz TWFDVBLIQRPWMI-KVPLUYHFSA-N 2 0 346.515 3.274 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000924700689 1323119892 /nfs/dbraw/zinc/11/98/92/1323119892.db2.gz HDNJOOAFJZKSIM-UHFFFAOYSA-N 2 0 344.547 3.146 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001024090506 1323122600 /nfs/dbraw/zinc/12/26/00/1323122600.db2.gz KAVVCQQAFFWGMS-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924964350 1323230505 /nfs/dbraw/zinc/23/05/05/1323230505.db2.gz ATDCELUOESXONH-INIZCTEOSA-N 2 0 329.488 3.419 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC(C)(C)CC1 ZINC001024366388 1323340895 /nfs/dbraw/zinc/34/08/95/1323340895.db2.gz RCRGZOICLODPQA-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448361 1323407946 /nfs/dbraw/zinc/40/79/46/1323407946.db2.gz KMGVUNZVHGGOHI-GBESFXJTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479176 1323430849 /nfs/dbraw/zinc/43/08/49/1323430849.db2.gz AZPFFEWGBXONRW-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CCC1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479772 1323433448 /nfs/dbraw/zinc/43/34/48/1323433448.db2.gz PHDXLJAQGZDTMP-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521071 1323468554 /nfs/dbraw/zinc/46/85/54/1323468554.db2.gz OKDPKEWNQDRGHG-DOTOQJQBSA-N 2 0 342.487 3.273 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCC2)ccc2c[nH+]cn21 ZINC001024520450 1323469232 /nfs/dbraw/zinc/46/92/32/1323469232.db2.gz KFIDRMXFEWCYDX-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557332 1323497222 /nfs/dbraw/zinc/49/72/22/1323497222.db2.gz RMPODAHUJDQCLV-SFHVURJKSA-N 2 0 342.487 3.355 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620260 1323548200 /nfs/dbraw/zinc/54/82/00/1323548200.db2.gz PNZFNAWMXLNJBC-YTQUADARSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814480 1323717991 /nfs/dbraw/zinc/71/79/91/1323717991.db2.gz TVXHCXWIUUEIQC-LJQANCHMSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240667 1324034232 /nfs/dbraw/zinc/03/42/32/1324034232.db2.gz PZWUUIJXABAYDN-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001025257515 1324063758 /nfs/dbraw/zinc/06/37/58/1324063758.db2.gz DXUHQNFMFQOTPN-RBUKOAKNSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025257816 1324064251 /nfs/dbraw/zinc/06/42/51/1324064251.db2.gz ACVQMFZCIDXFFY-VQTJNVASSA-N 2 0 347.547 3.140 20 0 EGADRP COc1cccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000860144349 1329158142 /nfs/dbraw/zinc/15/81/42/1329158142.db2.gz XACHRQJYYONJMZ-FPOVZHCZSA-N 2 0 346.515 3.315 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001026496786 1324848021 /nfs/dbraw/zinc/84/80/21/1324848021.db2.gz UTKPEFSTVHTFSF-SGZDXZSOSA-N 2 0 347.547 3.234 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001026515845 1324862810 /nfs/dbraw/zinc/86/28/10/1324862810.db2.gz MHMJAERAYHWZNP-ACBHZAAOSA-N 2 0 347.547 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026590298 1324916020 /nfs/dbraw/zinc/91/60/20/1324916020.db2.gz BLAWHSDVBWBTNY-MHJFOBGBSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925278122 1325111414 /nfs/dbraw/zinc/11/14/14/1325111414.db2.gz VMVUFJABSWNJGT-UZLBHIALSA-N 2 0 343.515 3.190 20 0 EGADRP CC1CCC(C[NH2+]C[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001026989034 1325127860 /nfs/dbraw/zinc/12/78/60/1325127860.db2.gz VXDXUSAWRYDACD-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027015065 1325154807 /nfs/dbraw/zinc/15/48/07/1325154807.db2.gz XOUXRVQEHXJZOY-VQTJNVASSA-N 2 0 347.547 3.047 20 0 EGADRP CN(C)C(=O)c1cccc(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925519607 1325188485 /nfs/dbraw/zinc/18/84/85/1325188485.db2.gz UZZIZOYQWRXYFT-HXUWFJFHSA-N 2 0 339.483 3.001 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000925537107 1325197985 /nfs/dbraw/zinc/19/79/85/1325197985.db2.gz IVHUUHRLNUWEBU-FUUYNRHESA-N 2 0 338.499 3.121 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000925565760 1325213868 /nfs/dbraw/zinc/21/38/68/1325213868.db2.gz XTHXUPIRKRBNQC-WHSGIHJSSA-N 3 0 327.516 3.004 20 0 EGADRP CC[C@H]([NH2+]C)c1nc(-c2ccccc2OCC[NH+](CC)CC)no1 ZINC000854145445 1325219368 /nfs/dbraw/zinc/21/93/68/1325219368.db2.gz RBAIUMDMERLJTO-HNNXBMFYSA-N 2 0 332.448 3.128 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000963417574 1325226607 /nfs/dbraw/zinc/22/66/07/1325226607.db2.gz NWFNOMBHOOHDOS-PMACEKPBSA-N 2 0 343.515 3.085 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000925610601 1325230124 /nfs/dbraw/zinc/23/01/24/1325230124.db2.gz HVZXMMJDPOOEQR-RTBURBONSA-N 2 0 327.472 3.486 20 0 EGADRP Cc1nonc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925617572 1325232890 /nfs/dbraw/zinc/23/28/90/1325232890.db2.gz XJSGNUGHVKKKBW-RVKKMQEKSA-N 2 0 328.460 3.329 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000925620285 1325234946 /nfs/dbraw/zinc/23/49/46/1325234946.db2.gz AQKRSFUAHARAJZ-RYTJFDOTSA-N 2 0 342.405 3.371 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(c3ccc(Cl)c(F)c3)C1)[NH2+]2 ZINC000925625590 1325236663 /nfs/dbraw/zinc/23/66/63/1325236663.db2.gz GTSIRRPKFURAFA-VQOQZMAISA-N 2 0 337.870 3.176 20 0 EGADRP C[NH+](C)[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925642958 1325244482 /nfs/dbraw/zinc/24/44/82/1325244482.db2.gz UOBIKTBUOBUIDT-PMPSAXMXSA-N 2 0 341.421 3.168 20 0 EGADRP Cc1cccc2c1[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000925652931 1325248581 /nfs/dbraw/zinc/24/85/81/1325248581.db2.gz IUOJWQMZTCJNBW-SFHVURJKSA-N 2 0 325.456 3.108 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000925651970 1325248765 /nfs/dbraw/zinc/24/87/65/1325248765.db2.gz MLWBSKDMAJHBOR-ZACQAIPSSA-N 2 0 328.591 3.466 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000925652510 1325249226 /nfs/dbraw/zinc/24/92/26/1325249226.db2.gz QJAOTLFHJMVVDO-MDHPDODESA-N 2 0 346.490 3.005 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000925730640 1325272842 /nfs/dbraw/zinc/27/28/42/1325272842.db2.gz PLOHMPRHSHFRAU-RBUKOAKNSA-N 2 0 332.875 3.313 20 0 EGADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000925817895 1325315249 /nfs/dbraw/zinc/31/52/49/1325315249.db2.gz XDNNVIJDJJOHOV-VQIMIIECSA-N 2 0 335.923 3.064 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926148502 1325447912 /nfs/dbraw/zinc/44/79/12/1325447912.db2.gz RPUNKBZAKDKMEC-DYESRHJHSA-N 2 0 326.484 3.393 20 0 EGADRP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000926202086 1325467222 /nfs/dbraw/zinc/46/72/22/1325467222.db2.gz REJSOZPYUWEHSA-HOTGVXAUSA-N 2 0 329.488 3.418 20 0 EGADRP C/C=C/C[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926200823 1325468017 /nfs/dbraw/zinc/46/80/17/1325468017.db2.gz JZLVUQYGXJMTIG-ODNRIDGPSA-N 2 0 328.500 3.489 20 0 EGADRP C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926377545 1325533828 /nfs/dbraw/zinc/53/38/28/1325533828.db2.gz KNYCYHPKFOWHOK-QGZVFWFLSA-N 2 0 339.483 3.275 20 0 EGADRP Cc1cccc2c1[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CC2 ZINC000926435617 1325553080 /nfs/dbraw/zinc/55/30/80/1325553080.db2.gz ONVOLZQQWLNPTR-LJQANCHMSA-N 2 0 339.483 3.498 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857147072 1325581854 /nfs/dbraw/zinc/58/18/54/1325581854.db2.gz XYTYYBPHCHNGGZ-ZCNNSNEGSA-N 2 0 343.515 3.098 20 0 EGADRP C[N@H+](CC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027410316 1327637128 /nfs/dbraw/zinc/63/71/28/1327637128.db2.gz BPBNTJBFFGDRNG-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027410317 1327637675 /nfs/dbraw/zinc/63/76/75/1327637675.db2.gz BPBNTJBFFGDRNG-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027432781 1327672862 /nfs/dbraw/zinc/67/28/62/1327672862.db2.gz KLCFFHRRJMPSPF-ZWKOTPCHSA-N 2 0 349.544 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027433688 1327673701 /nfs/dbraw/zinc/67/37/01/1327673701.db2.gz BQXMJELFFPNYRD-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001027444544 1327685755 /nfs/dbraw/zinc/68/57/55/1327685755.db2.gz SSUYJRGDZGOENP-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926739509 1327693228 /nfs/dbraw/zinc/69/32/28/1327693228.db2.gz UECFETPGMLMTKA-AEFFLSMTSA-N 2 0 339.487 3.040 20 0 EGADRP CCc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)cc1 ZINC001027460038 1327704364 /nfs/dbraw/zinc/70/43/64/1327704364.db2.gz FVLGJQCOAIRETB-VQTJNVASSA-N 2 0 345.531 3.012 20 0 EGADRP CCc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027460304 1327705551 /nfs/dbraw/zinc/70/55/51/1327705551.db2.gz IHCQWIVMVUIKAR-WOJBJXKFSA-N 2 0 345.531 3.012 20 0 EGADRP CCON1CCC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000926790966 1327719266 /nfs/dbraw/zinc/71/92/66/1327719266.db2.gz NMFZLWQVNPYUBS-UHFFFAOYSA-N 2 0 345.531 3.294 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000926790138 1327719642 /nfs/dbraw/zinc/71/96/42/1327719642.db2.gz HDFZUOWDVDYCHZ-QGZVFWFLSA-N 2 0 341.503 3.428 20 0 EGADRP C[N@H+](CC1CCCC1)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027479415 1327732087 /nfs/dbraw/zinc/73/20/87/1327732087.db2.gz GDDWKSCJVWTMKN-SFHVURJKSA-N 2 0 340.471 3.061 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926922237 1327777218 /nfs/dbraw/zinc/77/72/18/1327777218.db2.gz OIHHJZFDMFEFLX-RHSMWYFYSA-N 2 0 343.437 3.426 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCN2CC(F)(F)F)CC1 ZINC000926924432 1327778631 /nfs/dbraw/zinc/77/86/31/1327778631.db2.gz XJQFXADIGGPARO-AQFXKWCLSA-N 2 0 347.469 3.400 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001027602194 1327954051 /nfs/dbraw/zinc/95/40/51/1327954051.db2.gz NFPMAEHSZJJBMT-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965347286 1327983648 /nfs/dbraw/zinc/98/36/48/1327983648.db2.gz OTMPQKREYAQVPL-FCOWATRHSA-N 2 0 347.547 3.066 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CC3=CCCCC3)C2)CC1 ZINC001027628488 1327992875 /nfs/dbraw/zinc/99/28/75/1327992875.db2.gz CRWICTRNOONZCG-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680546 1328079204 /nfs/dbraw/zinc/07/92/04/1328079204.db2.gz HFZZULYSUZIEKY-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027700293 1328115453 /nfs/dbraw/zinc/11/54/53/1328115453.db2.gz UJLQYFWBNPRTCO-MRXNPFEDSA-N 2 0 335.492 3.068 20 0 EGADRP C[C@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000928011772 1328171068 /nfs/dbraw/zinc/17/10/68/1328171068.db2.gz GJAZTNNRSKFJNM-PGYGNJIDSA-N 2 0 335.536 3.164 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001027963564 1328435221 /nfs/dbraw/zinc/43/52/21/1328435221.db2.gz AVZAODLBULLFNU-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027986424 1328457283 /nfs/dbraw/zinc/45/72/83/1328457283.db2.gz WUSQNDCLYJUHSV-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+][C@H](C)c1nc(-c2ccccc2OCC[NH+](CC)CC)no1 ZINC000863669382 1329572661 /nfs/dbraw/zinc/57/26/61/1329572661.db2.gz WVLZMRZHSNEJLU-CQSZACIVSA-N 2 0 332.448 3.128 20 0 EGADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cnn([C@@H]4CCCCO4)c3)c2)CC1 ZINC000863726945 1329578055 /nfs/dbraw/zinc/57/80/55/1329578055.db2.gz KUKWXCWENPBUEB-FQEVSTJZSA-N 2 0 340.471 3.172 20 0 EGADRP COCCOc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc1 ZINC000865717285 1329732098 /nfs/dbraw/zinc/73/20/98/1329732098.db2.gz WAIRMKQEXFAWMV-UHFFFAOYSA-N 2 0 334.504 3.312 20 0 EGADRP C[NH+](C)CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)o1)C(C)(C)C ZINC000932986141 1329853150 /nfs/dbraw/zinc/85/31/50/1329853150.db2.gz KSAKJURPZYZACK-SFHVURJKSA-N 2 0 349.519 3.362 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000935593793 1330062657 /nfs/dbraw/zinc/06/26/57/1330062657.db2.gz ZYUJOUHWFLEVEI-UHFFFAOYSA-N 2 0 347.503 3.214 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000866470205 1330116400 /nfs/dbraw/zinc/11/64/00/1330116400.db2.gz PKRLXSRGHUTIIQ-MRXNPFEDSA-N 2 0 340.471 3.135 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000866469426 1330116527 /nfs/dbraw/zinc/11/65/27/1330116527.db2.gz ICMKAPDLNPLSOG-WIYYLYMNSA-N 3 0 329.532 3.361 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000866470260 1330116557 /nfs/dbraw/zinc/11/65/57/1330116557.db2.gz RCWHVHHLEXAIDQ-QGZVFWFLSA-N 2 0 326.488 3.373 20 0 EGADRP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000866590074 1330130308 /nfs/dbraw/zinc/13/03/08/1330130308.db2.gz LJTJNXJQRQOORE-LJQANCHMSA-N 2 0 333.907 3.039 20 0 EGADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000939256098 1330413208 /nfs/dbraw/zinc/41/32/08/1330413208.db2.gz AKLAMAUUBDKEIS-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946614523 1332862910 /nfs/dbraw/zinc/86/29/10/1332862910.db2.gz AXEUYCIZSBASLW-IYBDPMFKSA-N 2 0 349.544 3.002 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC000947310271 1333084907 /nfs/dbraw/zinc/08/49/07/1333084907.db2.gz ONEZUAUPXZYCJB-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361840 1333103187 /nfs/dbraw/zinc/10/31/87/1333103187.db2.gz RVQVZXYWGJCWRL-RDJZCZTQSA-N 2 0 349.544 3.359 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC000947616656 1333194254 /nfs/dbraw/zinc/19/42/54/1333194254.db2.gz RATPHOYRZQYTRE-NVXWUHKLSA-N 2 0 349.544 3.092 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC000947686434 1333223878 /nfs/dbraw/zinc/22/38/78/1333223878.db2.gz YEXPXRJZQYNJNV-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCC1CCCC1 ZINC000947934534 1333311459 /nfs/dbraw/zinc/31/14/59/1333311459.db2.gz KYMSJOPDUYIQJG-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439491 1333525821 /nfs/dbraw/zinc/52/58/21/1333525821.db2.gz QMRATVXXUNBTFR-MOPGFXCFSA-N 2 0 337.552 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948575137 1333583023 /nfs/dbraw/zinc/58/30/23/1333583023.db2.gz QIPVAODZYGTEOY-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948620608 1333600006 /nfs/dbraw/zinc/60/00/06/1333600006.db2.gz FUHGZWLCWNPHJZ-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948711367 1333642787 /nfs/dbraw/zinc/64/27/87/1333642787.db2.gz OVNHKZHXGONURH-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726698 1333648836 /nfs/dbraw/zinc/64/88/36/1333648836.db2.gz XUOVJEHJMBHRQD-FUHWJXTLSA-N 2 0 349.519 3.314 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948775740 1333674676 /nfs/dbraw/zinc/67/46/76/1333674676.db2.gz PTRDAVQDDVVQHO-WMZOPIPTSA-N 2 0 349.544 3.045 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829514 1333701913 /nfs/dbraw/zinc/70/19/13/1333701913.db2.gz PBWSKWPAHZTOQX-MOPGFXCFSA-N 2 0 337.552 3.362 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000949628063 1333885841 /nfs/dbraw/zinc/88/58/41/1333885841.db2.gz REUUPPVOAMICCD-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1c(C(=O)N[C@@H]2C[N@H+](CCC(C)C)CC[C@H]2C)ccc2c[nH+]cn21 ZINC000967086927 1335658875 /nfs/dbraw/zinc/65/88/75/1335658875.db2.gz MOYZQFNYUOKPFC-DNVCBOLYSA-N 2 0 342.487 3.129 20 0 EGADRP C[C@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206243 1335676565 /nfs/dbraw/zinc/67/65/65/1335676565.db2.gz NDORFPNJWVXKED-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206246 1335676980 /nfs/dbraw/zinc/67/69/80/1335676980.db2.gz NDORFPNJWVXKED-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1CC[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647286 1335996253 /nfs/dbraw/zinc/99/62/53/1335996253.db2.gz JYGKEJIWKDRQBA-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC000968672531 1336005132 /nfs/dbraw/zinc/00/51/32/1336005132.db2.gz GOZCVMLLUPZOSG-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968857151 1336070264 /nfs/dbraw/zinc/07/02/64/1336070264.db2.gz UQFXKXGTKKTFQE-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887869 1336080484 /nfs/dbraw/zinc/08/04/84/1336080484.db2.gz OBBBDJQKZDGTNE-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC000968922347 1336089720 /nfs/dbraw/zinc/08/97/20/1336089720.db2.gz YNRPLNGWIRYJQI-LSDHHAIUSA-N 2 0 349.906 3.076 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936200 1336095734 /nfs/dbraw/zinc/09/57/34/1336095734.db2.gz CYJGBRDSDVMWCQ-RDJZCZTQSA-N 2 0 346.450 3.057 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC000969014057 1336118465 /nfs/dbraw/zinc/11/84/65/1336118465.db2.gz OOLOXIFBYVCUGI-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2=CCCCC2)C1 ZINC000969144609 1336161241 /nfs/dbraw/zinc/16/12/41/1336161241.db2.gz PNWAXGJGZNUQNS-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156517 1336166177 /nfs/dbraw/zinc/16/61/77/1336166177.db2.gz VHGBTGSRPJNTFY-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969799346 1336249162 /nfs/dbraw/zinc/24/91/62/1336249162.db2.gz WBADVGJPFDYCNX-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000970720118 1336335570 /nfs/dbraw/zinc/33/55/70/1336335570.db2.gz YCRRGMOFTGMLKQ-PKOBYXMFSA-N 2 0 335.536 3.044 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005817529 1336404086 /nfs/dbraw/zinc/40/40/86/1336404086.db2.gz KXNOHQGKWHVRKW-UHFFFAOYSA-N 2 0 347.547 3.284 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](CCC(C)C)CC2)C1 ZINC001005870279 1336413353 /nfs/dbraw/zinc/41/33/53/1336413353.db2.gz HBKDZZWCLGGSBC-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC1CCC(C[NH+]2CCC(N(C)C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001005932939 1336424732 /nfs/dbraw/zinc/42/47/32/1336424732.db2.gz CESDPKQMVHLLEY-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001006441925 1336506763 /nfs/dbraw/zinc/50/67/63/1336506763.db2.gz GTHIJEHIQGFGEC-IYBDPMFKSA-N 2 0 349.544 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006443415 1336506962 /nfs/dbraw/zinc/50/69/62/1336506962.db2.gz CTVKPTGTMRTJLA-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](F)C[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006444590 1336507349 /nfs/dbraw/zinc/50/73/49/1336507349.db2.gz WAUCOUVOXGUDOW-KRWDZBQOSA-N 2 0 349.494 3.033 20 0 EGADRP C[C@H](F)CC[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006444030 1336507638 /nfs/dbraw/zinc/50/76/38/1336507638.db2.gz PSDRTCGSJCTSRM-INIZCTEOSA-N 2 0 349.494 3.033 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007457406 1336650186 /nfs/dbraw/zinc/65/01/86/1336650186.db2.gz MYASZKLLXDJABX-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007497321 1336657757 /nfs/dbraw/zinc/65/77/57/1336657757.db2.gz COJCVJITIYAWSR-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001007499811 1336658888 /nfs/dbraw/zinc/65/88/88/1336658888.db2.gz QNNDJGGMTGDHNN-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007501196 1336659009 /nfs/dbraw/zinc/65/90/09/1336659009.db2.gz WMECXOVLJRPEFX-UYAOXDASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007746678 1336693403 /nfs/dbraw/zinc/69/34/03/1336693403.db2.gz NZXIYTNNHVQTKQ-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008064428 1336761939 /nfs/dbraw/zinc/76/19/39/1336761939.db2.gz VFCMVMBUSMSQOH-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001008771715 1336923741 /nfs/dbraw/zinc/92/37/41/1336923741.db2.gz UZOXAWVJQKMMCK-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001009636615 1337050288 /nfs/dbraw/zinc/05/02/88/1337050288.db2.gz NOYMIOZQQMXHLJ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014630164 1337853519 /nfs/dbraw/zinc/85/35/19/1337853519.db2.gz MRIWOGBJTAQUMI-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014724658 1337885589 /nfs/dbraw/zinc/88/55/89/1337885589.db2.gz WOTMVQHIBDWEIK-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731185 1337890490 /nfs/dbraw/zinc/89/04/90/1337890490.db2.gz ZWMVJGIWIUJBME-HKUYNNGSSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015289689 1338085747 /nfs/dbraw/zinc/08/57/47/1338085747.db2.gz JRUXUXLUTATXPN-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001015611741 1338208086 /nfs/dbraw/zinc/20/80/86/1338208086.db2.gz MEGQQDBRCKFPAO-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710783 1338270350 /nfs/dbraw/zinc/27/03/50/1338270350.db2.gz RTCPHXSNZRXSDX-RTBURBONSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001015796115 1338315895 /nfs/dbraw/zinc/31/58/95/1338315895.db2.gz JNOIQJMIYBLDNK-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001015973930 1338386040 /nfs/dbraw/zinc/38/60/40/1338386040.db2.gz VAWIOQZGHAETSZ-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662727 1338682881 /nfs/dbraw/zinc/68/28/81/1338682881.db2.gz MXFOFKBWMJDCBS-RTBURBONSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016829635 1338739942 /nfs/dbraw/zinc/73/99/42/1338739942.db2.gz MHXNUAGTHQVAEV-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016830408 1338739996 /nfs/dbraw/zinc/73/99/96/1338739996.db2.gz SAIACOIHMFAAFF-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC1 ZINC001016863799 1338751965 /nfs/dbraw/zinc/75/19/65/1338751965.db2.gz VTALFJPSGHDLPZ-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001017181180 1338924643 /nfs/dbraw/zinc/92/46/43/1338924643.db2.gz YHVBOWJOZIYCAE-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCCC3)C2)CC[N@@H+]1C ZINC001017189624 1338935967 /nfs/dbraw/zinc/93/59/67/1338935967.db2.gz GIJBPVJYWOGYAS-SXLOBPIMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001017214221 1338958358 /nfs/dbraw/zinc/95/83/58/1338958358.db2.gz VXOLPVGZCHRGEP-MJGOQNOKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018838343 1339736651 /nfs/dbraw/zinc/73/66/51/1339736651.db2.gz YFCDDIWFXQCSOM-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001028180755 1340471044 /nfs/dbraw/zinc/47/10/44/1340471044.db2.gz FJULJMSYPKZYCK-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)C)o1 ZINC001028344105 1340583781 /nfs/dbraw/zinc/58/37/81/1340583781.db2.gz WAHQFVREUJNAPJ-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001028552520 1340696839 /nfs/dbraw/zinc/69/68/39/1340696839.db2.gz OOXGXHVVZVOIFD-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594092 1340719881 /nfs/dbraw/zinc/71/98/81/1340719881.db2.gz AQZGBEHFZVBXLP-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028647680 1340742230 /nfs/dbraw/zinc/74/22/30/1340742230.db2.gz LQKWGINKPDPOHB-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661140 1340746294 /nfs/dbraw/zinc/74/62/94/1340746294.db2.gz GDGYNZAWSSGXSX-SJORKVTESA-N 2 0 348.450 3.147 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001028761943 1340797893 /nfs/dbraw/zinc/79/78/93/1340797893.db2.gz CRMPGLYYZOIBOO-SXLOBPIMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108195 1340931674 /nfs/dbraw/zinc/93/16/74/1340931674.db2.gz XXLZWLSWZYVDDR-YLJYHZDGSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001029108301 1340931684 /nfs/dbraw/zinc/93/16/84/1340931684.db2.gz ZCBJUBMCTLXUOX-OXQOHEQNSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029164421 1340946157 /nfs/dbraw/zinc/94/61/57/1340946157.db2.gz JRJOJHUUOIEDTA-MJGOQNOKSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001029164792 1340946519 /nfs/dbraw/zinc/94/65/19/1340946519.db2.gz QJOKXYXFLBZXNT-DYESRHJHSA-N 2 0 345.531 3.089 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029330813 1340972926 /nfs/dbraw/zinc/97/29/26/1340972926.db2.gz WHSOQNWAXWADBX-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029738731 1341059564 /nfs/dbraw/zinc/05/95/64/1341059564.db2.gz CQCCCSLNSCBEPH-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029774212 1341069828 /nfs/dbraw/zinc/06/98/28/1341069828.db2.gz KVCXPDSCLXZSQA-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)CC1CCC(C)(C)CC1 ZINC001029905648 1341111394 /nfs/dbraw/zinc/11/13/94/1341111394.db2.gz QYPXBFWTBAUIOI-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029910623 1341113595 /nfs/dbraw/zinc/11/35/95/1341113595.db2.gz STHLVVAOQLRHSY-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CCC(C[N@H+](C)CC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001029947205 1341131174 /nfs/dbraw/zinc/13/11/74/1341131174.db2.gz JXOPOXNRLBYWDC-AFMYVXGZSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001029970188 1341138870 /nfs/dbraw/zinc/13/88/70/1341138870.db2.gz OSYZAIHFSJFQQA-UHFFFAOYSA-N 2 0 346.519 3.093 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001029996673 1341151751 /nfs/dbraw/zinc/15/17/51/1341151751.db2.gz HNRCTDICNUNQPO-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)CC1 ZINC001030009216 1341156125 /nfs/dbraw/zinc/15/61/25/1341156125.db2.gz SKWPTWMPLUQGCN-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001030021608 1341160095 /nfs/dbraw/zinc/16/00/95/1341160095.db2.gz GDMIEPCARLVNMZ-BJLQDIEVSA-N 2 0 345.531 3.285 20 0 EGADRP CCC(CC)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918978 1341421874 /nfs/dbraw/zinc/42/18/74/1341421874.db2.gz ZSGRDLRSTOKIPI-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001032205571 1341472831 /nfs/dbraw/zinc/47/28/31/1341472831.db2.gz BZYSBONYSLFGEN-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033125449 1341733222 /nfs/dbraw/zinc/73/32/22/1341733222.db2.gz DYTZKJCITCSSAG-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033144145 1341738338 /nfs/dbraw/zinc/73/83/38/1341738338.db2.gz SDJSYXBIXRWFAV-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033145837 1341739603 /nfs/dbraw/zinc/73/96/03/1341739603.db2.gz KRFOQXOMIVNUGL-ZWKOTPCHSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033422638 1341821794 /nfs/dbraw/zinc/82/17/94/1341821794.db2.gz HXHPZJSZPIBGMC-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033426562 1341822279 /nfs/dbraw/zinc/82/22/79/1341822279.db2.gz RNDJNKQJADRCSN-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656561 1341931482 /nfs/dbraw/zinc/93/14/82/1341931482.db2.gz CDFYRGSJQKCEES-MAUKXSAKSA-N 2 0 349.906 3.030 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033683594 1341949962 /nfs/dbraw/zinc/94/99/62/1341949962.db2.gz IECUXHUREFCDTR-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033826252 1342027711 /nfs/dbraw/zinc/02/77/11/1342027711.db2.gz NNEAMBDNROKMRT-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033827032 1342028344 /nfs/dbraw/zinc/02/83/44/1342028344.db2.gz YSOZTXBGUAYJJN-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033833954 1342033915 /nfs/dbraw/zinc/03/39/15/1342033915.db2.gz BACWPYZLTPTQDK-GBESFXJTSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033880663 1342057057 /nfs/dbraw/zinc/05/70/57/1342057057.db2.gz YUBGYOOCAVFONL-MAUKXSAKSA-N 2 0 342.487 3.225 20 0 EGADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001033888716 1342061881 /nfs/dbraw/zinc/06/18/81/1342061881.db2.gz SQJOIKASYFFIOR-IBGZPJMESA-N 2 0 348.450 3.071 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034205436 1342316093 /nfs/dbraw/zinc/31/60/93/1342316093.db2.gz WPRKDACWOWGAGC-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC1CC(C[N@@H+]2CCCC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001034211379 1342320883 /nfs/dbraw/zinc/32/08/83/1342320883.db2.gz LZYUFZJDXJCQPJ-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034250296 1342346995 /nfs/dbraw/zinc/34/69/95/1342346995.db2.gz PMDQABXZUAZQRT-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034272564 1342364055 /nfs/dbraw/zinc/36/40/55/1342364055.db2.gz VUKWLIKIGUPZTB-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cs1 ZINC001034272884 1342364146 /nfs/dbraw/zinc/36/41/46/1342364146.db2.gz XXUFXCJBWHTANU-MSOLQXFVSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](Cc2ccsc2)C1)[NH+]1CCCC1 ZINC001034340962 1342414074 /nfs/dbraw/zinc/41/40/74/1342414074.db2.gz WWYIXGOLWOZYPM-QGZVFWFLSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034396069 1342464605 /nfs/dbraw/zinc/46/46/05/1342464605.db2.gz CSZBSEUIFDUVEB-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034432906 1342495146 /nfs/dbraw/zinc/49/51/46/1342495146.db2.gz AASRUUFAYVBDNC-MOPGFXCFSA-N 2 0 335.536 3.186 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034537975 1342595550 /nfs/dbraw/zinc/59/55/50/1342595550.db2.gz GUDLJPYKWPGARV-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@H+](C/C=C\Cl)C1 ZINC001034543199 1342603125 /nfs/dbraw/zinc/60/31/25/1342603125.db2.gz ZLWJRFRKKHPDTF-CGICMKJESA-N 2 0 349.906 3.085 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034543171 1342603306 /nfs/dbraw/zinc/60/33/06/1342603306.db2.gz ZGNMZIIWFWLCOS-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034662362 1342677336 /nfs/dbraw/zinc/67/73/36/1342677336.db2.gz FURFKGONQRUNBE-ZHALLVOQSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034675328 1342686409 /nfs/dbraw/zinc/68/64/09/1342686409.db2.gz ZRDCGVXQQPVVND-UFYCRDLUSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2)[NH+]1CCCC1 ZINC001078696698 1357059905 /nfs/dbraw/zinc/05/99/05/1357059905.db2.gz XGBBPUHPZKCKTP-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034712402 1342708239 /nfs/dbraw/zinc/70/82/39/1342708239.db2.gz WLARWOCJZZBWMC-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001034734486 1342729034 /nfs/dbraw/zinc/72/90/34/1342729034.db2.gz PMGVVXJWBVZVNE-MISYRCLQSA-N 2 0 347.547 3.236 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001034778803 1342755396 /nfs/dbraw/zinc/75/53/96/1342755396.db2.gz ZVZAEEFHIVQUBH-WGSAOQKQSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001034792206 1342760870 /nfs/dbraw/zinc/76/08/70/1342760870.db2.gz ASMGRYJQNZOGFS-UFYCRDLUSA-N 2 0 343.515 3.251 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001034792124 1342761084 /nfs/dbraw/zinc/76/10/84/1342761084.db2.gz FQZPYVZKEZMMJK-RNQOJCNYSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034830358 1342791323 /nfs/dbraw/zinc/79/13/23/1342791323.db2.gz VQUOXRBCOOHCLM-FQEVSTJZSA-N 2 0 343.515 3.065 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034961215 1342854340 /nfs/dbraw/zinc/85/43/40/1342854340.db2.gz FBPQRFUARYHXFY-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)ccc2c[nH+]cn21 ZINC001034978784 1342862511 /nfs/dbraw/zinc/86/25/11/1342862511.db2.gz UTUNREZHJNAYKA-QGZVFWFLSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1)[NH+](C)C ZINC001035038980 1342892136 /nfs/dbraw/zinc/89/21/36/1342892136.db2.gz RZERMEZEKDMIOY-KFKAGJAMSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819883 1357100189 /nfs/dbraw/zinc/10/01/89/1357100189.db2.gz SZWJCIMJRFZNDO-RBUKOAKNSA-N 2 0 343.515 3.035 20 0 EGADRP CC[C@H](C(=O)N1CCC2(CC[N@H+](CC3CC(C)(C)C3)C2)CC1)[NH+](C)C ZINC001035196731 1343009976 /nfs/dbraw/zinc/00/99/76/1343009976.db2.gz CNCJGFSBTVCYOM-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035227137 1343048646 /nfs/dbraw/zinc/04/86/46/1343048646.db2.gz OOWQBVVPUZNIRC-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260318 1343086697 /nfs/dbraw/zinc/08/66/97/1343086697.db2.gz TVSHHGLLCRNQAY-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035838221 1343221179 /nfs/dbraw/zinc/22/11/79/1343221179.db2.gz VIOVPNRMRCREJP-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035857710 1343233988 /nfs/dbraw/zinc/23/39/88/1343233988.db2.gz CAMBTUNPJRVNBX-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036180448 1343349888 /nfs/dbraw/zinc/34/98/88/1343349888.db2.gz AYQNURGTIOTDCK-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001036418901 1343475152 /nfs/dbraw/zinc/47/51/52/1343475152.db2.gz GVMSYKUUGCVBSW-SJORKVTESA-N 2 0 337.552 3.265 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755214 1343676690 /nfs/dbraw/zinc/67/66/90/1343676690.db2.gz SMFLKWLDVGCBPM-PKOBYXMFSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842081 1343780445 /nfs/dbraw/zinc/78/04/45/1343780445.db2.gz JXHVUFWBPCHSBR-VQTJNVASSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859090 1343793435 /nfs/dbraw/zinc/79/34/35/1343793435.db2.gz KBNVBFHSEWQDQU-WOJBJXKFSA-N 2 0 349.563 3.076 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037087878 1343973005 /nfs/dbraw/zinc/97/30/05/1343973005.db2.gz BVLQPYBFCAOHBB-RTBURBONSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001037087875 1343973030 /nfs/dbraw/zinc/97/30/30/1343973030.db2.gz BVLQPYBFCAOHBB-MOPGFXCFSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001037280949 1344071911 /nfs/dbraw/zinc/07/19/11/1344071911.db2.gz YOWDNPJDXXYOFT-RTBURBONSA-N 2 0 331.504 3.035 20 0 EGADRP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037855667 1344141381 /nfs/dbraw/zinc/14/13/81/1344141381.db2.gz WPXVNGORIMAOKG-RBUKOAKNSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1[NH2+]C(C)C ZINC001037871552 1344153237 /nfs/dbraw/zinc/15/32/37/1344153237.db2.gz CLNFVSLJKYTGPV-FUHWJXTLSA-N 2 0 337.552 3.265 20 0 EGADRP CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037906822 1344171371 /nfs/dbraw/zinc/17/13/71/1344171371.db2.gz UQZISPZNRNALIZ-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037964354 1344207895 /nfs/dbraw/zinc/20/78/95/1344207895.db2.gz STFJYCXAPVENFN-AZUAARDMSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248084 1344342896 /nfs/dbraw/zinc/34/28/96/1344342896.db2.gz LUXMXLXVAWKLBB-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCCC2)CC[N@@H+]1C ZINC001038269833 1344350169 /nfs/dbraw/zinc/35/01/69/1344350169.db2.gz RSSOWVDRRGTVSN-HSALFYBXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038340387 1344386421 /nfs/dbraw/zinc/38/64/21/1344386421.db2.gz NCLNVZOANMLFHI-UXHICEINSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038622700 1344508873 /nfs/dbraw/zinc/50/88/73/1344508873.db2.gz NUVGFNZQDUMBDF-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038622004 1344509040 /nfs/dbraw/zinc/50/90/40/1344509040.db2.gz LQKPIPBEBYTSIN-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCC2)cc1 ZINC001038815872 1344594593 /nfs/dbraw/zinc/59/45/93/1344594593.db2.gz HUPYZDANEIBNRD-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCC2)c1 ZINC001039039754 1344728161 /nfs/dbraw/zinc/72/81/61/1344728161.db2.gz KFEADCZKBXKXAL-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001039051791 1344736197 /nfs/dbraw/zinc/73/61/97/1344736197.db2.gz YYPNSRQDOVCDKE-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167256 1344853532 /nfs/dbraw/zinc/85/35/32/1344853532.db2.gz PXFDOPWOVCJSCS-PMACEKPBSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205218 1344915901 /nfs/dbraw/zinc/91/59/01/1344915901.db2.gz NGXXMRJQDROKOP-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039301686 1345004047 /nfs/dbraw/zinc/00/40/47/1345004047.db2.gz MHBINWVJKXVOGJ-RAFMOHDBSA-N 2 0 349.563 3.407 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039308976 1345007073 /nfs/dbraw/zinc/00/70/73/1345007073.db2.gz BEAKAEVAZBZUBE-YQQQUEKLSA-N 2 0 343.515 3.274 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406492 1345051479 /nfs/dbraw/zinc/05/14/79/1345051479.db2.gz WJTDYVCEXFILCR-MJGOQNOKSA-N 2 0 340.471 3.059 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040232176 1345386665 /nfs/dbraw/zinc/38/66/65/1345386665.db2.gz OIEFGMIZUSFYPI-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040245840 1345394147 /nfs/dbraw/zinc/39/41/47/1345394147.db2.gz YODIDFASAWOHEJ-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543934 1345539218 /nfs/dbraw/zinc/53/92/18/1345539218.db2.gz RUBCSADKYLXMPP-CTNGQTDRSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040874941 1345592428 /nfs/dbraw/zinc/59/24/28/1345592428.db2.gz NDNBRDOHNWCZBG-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882327 1345593494 /nfs/dbraw/zinc/59/34/94/1345593494.db2.gz CSISOYVSWUSHIO-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040952957 1345608808 /nfs/dbraw/zinc/60/88/08/1345608808.db2.gz HAJAWJQDRFSJFD-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040953630 1345609585 /nfs/dbraw/zinc/60/95/85/1345609585.db2.gz QZCJAIFXSQRBFR-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001041378092 1345712083 /nfs/dbraw/zinc/71/20/83/1345712083.db2.gz GZTUKALBZIRVMC-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725504 1345832681 /nfs/dbraw/zinc/83/26/81/1345832681.db2.gz NSYGXGLPBSIEQH-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365319 1346058161 /nfs/dbraw/zinc/05/81/61/1346058161.db2.gz MZLSQJYTMRSJSP-QUCCMNQESA-N 2 0 343.515 3.085 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042373938 1346062898 /nfs/dbraw/zinc/06/28/98/1346062898.db2.gz FKWGRLDYYCDTTJ-AEFFLSMTSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001042920230 1346125307 /nfs/dbraw/zinc/12/53/07/1346125307.db2.gz WSIIQESRUMJOBG-LJQANCHMSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001044003720 1346232107 /nfs/dbraw/zinc/23/21/07/1346232107.db2.gz RGAHEWSJHKLXKX-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCCCC2)C1 ZINC001044170922 1346265544 /nfs/dbraw/zinc/26/55/44/1346265544.db2.gz XVAUMUHTUUNOPR-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)cs1 ZINC001044630792 1346388227 /nfs/dbraw/zinc/38/82/27/1346388227.db2.gz YXFXOSIAAKYARK-RHSMWYFYSA-N 2 0 349.544 3.010 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044745397 1346418868 /nfs/dbraw/zinc/41/88/68/1346418868.db2.gz VIECIOFMBKMCPK-FXAWDEMLSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044859029 1346446981 /nfs/dbraw/zinc/44/69/81/1346446981.db2.gz YYJCCWYIXTZPCQ-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045037234 1346484078 /nfs/dbraw/zinc/48/40/78/1346484078.db2.gz JWUXWGLTWBPRHX-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001045038580 1346484689 /nfs/dbraw/zinc/48/46/89/1346484689.db2.gz WASYNLSFJKSHKG-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045133839 1346501202 /nfs/dbraw/zinc/50/12/02/1346501202.db2.gz HUVIKNRPINTRRI-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001045251328 1346540859 /nfs/dbraw/zinc/54/08/59/1346540859.db2.gz OBXBWWPFNIVBCJ-UUKMXZOPSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045529135 1346618588 /nfs/dbraw/zinc/61/85/88/1346618588.db2.gz NFIIFTZVMUFZKL-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001045536168 1346620458 /nfs/dbraw/zinc/62/04/58/1346620458.db2.gz JPAPVJMPNDEYAX-WMZOPIPTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045557371 1346628614 /nfs/dbraw/zinc/62/86/14/1346628614.db2.gz IMQGEXVIHBZKPY-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001045842202 1346717445 /nfs/dbraw/zinc/71/74/45/1346717445.db2.gz ZGWUPVZBKQBIAR-CEXWTWQISA-N 2 0 349.563 3.074 20 0 EGADRP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986186 1346827790 /nfs/dbraw/zinc/82/77/90/1346827790.db2.gz JLVKPBOOQFSYCW-FPOVZHCZSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046739863 1347078313 /nfs/dbraw/zinc/07/83/13/1347078313.db2.gz XHTGLISPQMFXBF-OAQYLSRUSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC=C(C)C)CC2)C1)[NH+](C)C ZINC001047245550 1347271304 /nfs/dbraw/zinc/27/13/04/1347271304.db2.gz YSRHIHJMSVIRMD-WOJBJXKFSA-N 2 0 349.563 3.243 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001047246616 1347271526 /nfs/dbraw/zinc/27/15/26/1347271526.db2.gz SVBQDWLYDLXKPP-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001047261900 1347283327 /nfs/dbraw/zinc/28/33/27/1347283327.db2.gz JGZVHPXWRFLXDO-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001047263123 1347284104 /nfs/dbraw/zinc/28/41/04/1347284104.db2.gz ZPLZBHBCTCIEKI-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047926386 1347411975 /nfs/dbraw/zinc/41/19/75/1347411975.db2.gz ZWYBZBLARICHRB-MJGOQNOKSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533319 1347581748 /nfs/dbraw/zinc/58/17/48/1347581748.db2.gz AJVRJVKTDNCXTQ-GSEOLPGOSA-N 2 0 347.547 3.161 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(C)C)C1 ZINC001048556973 1347591351 /nfs/dbraw/zinc/59/13/51/1347591351.db2.gz ABYXHRAVADNNIB-YSTOQKLRSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572844 1347599453 /nfs/dbraw/zinc/59/94/53/1347599453.db2.gz SXCBEIAXVPBFRU-YRPNKDGESA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048606547 1347616687 /nfs/dbraw/zinc/61/66/87/1347616687.db2.gz SISLEEATPQNGKB-UFYCRDLUSA-N 2 0 349.563 3.173 20 0 EGADRP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095402 1347723815 /nfs/dbraw/zinc/72/38/15/1347723815.db2.gz ZYIHPZDPVWZNCU-YSIASYRMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476093 1347867665 /nfs/dbraw/zinc/86/76/65/1347867665.db2.gz CARLRVTZSAMFAY-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476095 1347867978 /nfs/dbraw/zinc/86/79/78/1347867978.db2.gz CARLRVTZSAMFAY-RBUKOAKNSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477435 1347868322 /nfs/dbraw/zinc/86/83/22/1347868322.db2.gz GQSSWRNVOVRHTH-RBUKOAKNSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC1 ZINC001049520625 1347889147 /nfs/dbraw/zinc/88/91/47/1347889147.db2.gz CXDHTPPLMYKUCX-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1)C1CCC1 ZINC001049522429 1347890966 /nfs/dbraw/zinc/89/09/66/1347890966.db2.gz PZCWBSHSHZVJLF-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561537 1347910189 /nfs/dbraw/zinc/91/01/89/1347910189.db2.gz MLFRZURVPLTFTQ-RTBURBONSA-N 2 0 340.471 3.122 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566294 1347913287 /nfs/dbraw/zinc/91/32/87/1347913287.db2.gz BLAGJSFLKXRGDE-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049654002 1347956979 /nfs/dbraw/zinc/95/69/79/1347956979.db2.gz FOOJXBFMNCARLL-AQNXPRMDSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC=C(C)C)C1 ZINC001049664481 1347963476 /nfs/dbraw/zinc/96/34/76/1347963476.db2.gz QLMZQQJPKNICFG-SLFFLAALSA-N 2 0 347.547 3.140 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(C)C ZINC001049837168 1348049881 /nfs/dbraw/zinc/04/98/81/1348049881.db2.gz OFBBZVANYNINQR-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049922520 1348114680 /nfs/dbraw/zinc/11/46/80/1348114680.db2.gz ZLNVPIPEEWFSMU-WOJBJXKFSA-N 2 0 343.515 3.083 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001050385446 1348246358 /nfs/dbraw/zinc/24/63/58/1348246358.db2.gz FWKHSHHOFHQJGZ-ZHALLVOQSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050577466 1348292812 /nfs/dbraw/zinc/29/28/12/1348292812.db2.gz QUZBEJXUYHOLFW-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001079848531 1357400728 /nfs/dbraw/zinc/40/07/28/1357400728.db2.gz APDDAIASTBISPI-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C)[NH+](C)C ZINC001051342194 1348438093 /nfs/dbraw/zinc/43/80/93/1348438093.db2.gz WYOVULLGKLHJJW-NLWGTHIKSA-N 2 0 345.531 3.367 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001051349825 1348439899 /nfs/dbraw/zinc/43/98/99/1348439899.db2.gz ZUHCALIXPUSSCP-SXLOBPIMSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447425 1348543679 /nfs/dbraw/zinc/54/36/79/1348543679.db2.gz DVMPCZOZZBSVFN-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052530322 1348566992 /nfs/dbraw/zinc/56/69/92/1348566992.db2.gz WTSBMZATASXHJT-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CC2)CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001052651875 1348614233 /nfs/dbraw/zinc/61/42/33/1348614233.db2.gz NYLFSEPXMNBXIJ-UYAOXDASSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052712514 1348645171 /nfs/dbraw/zinc/64/51/71/1348645171.db2.gz JOZQYBHJUNAYDR-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052713541 1348645649 /nfs/dbraw/zinc/64/56/49/1348645649.db2.gz ZQJJYDKWYNCXCQ-AZUAARDMSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052763711 1348668620 /nfs/dbraw/zinc/66/86/20/1348668620.db2.gz JCVPSMGAGRCSQD-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC001052766510 1348670875 /nfs/dbraw/zinc/67/08/75/1348670875.db2.gz FSKAEVHLATXKMX-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786976 1348679729 /nfs/dbraw/zinc/67/97/29/1348679729.db2.gz FSAMMVCIQKEEGU-VQIMIIECSA-N 2 0 349.494 3.081 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052867400 1348709909 /nfs/dbraw/zinc/70/99/09/1348709909.db2.gz LYJKPYWLZWRMQY-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC2CCCC2)CC1 ZINC001052984199 1348788451 /nfs/dbraw/zinc/78/84/51/1348788451.db2.gz FZWUPRIPERRDGS-BGYRXZFFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CCCCCC2)CC1 ZINC001052985481 1348788604 /nfs/dbraw/zinc/78/86/04/1348788604.db2.gz PIHGUFMCNIQCCO-OYRHEFFESA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029971 1348829032 /nfs/dbraw/zinc/82/90/32/1348829032.db2.gz ZGTXTLQWQZJAHM-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038975 1348840318 /nfs/dbraw/zinc/84/03/18/1348840318.db2.gz BLKHCBZJCWJDAR-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001054154048 1349157050 /nfs/dbraw/zinc/15/70/50/1349157050.db2.gz PRQXWDAAUUTLRI-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219555 1349216403 /nfs/dbraw/zinc/21/64/03/1349216403.db2.gz QFSRLNWPWINXLA-WIYYLYMNSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054244507 1349238408 /nfs/dbraw/zinc/23/84/08/1349238408.db2.gz WHZJLNJSHLJIJQ-NRFANRHFSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245527 1349239316 /nfs/dbraw/zinc/23/93/16/1349239316.db2.gz UXQNXMPPTTVSCA-NRFANRHFSA-N 2 0 347.547 3.143 20 0 EGADRP CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269627 1349268472 /nfs/dbraw/zinc/26/84/72/1349268472.db2.gz IFZWHHDXZOQIJO-UXHICEINSA-N 2 0 341.499 3.044 20 0 EGADRP CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)cc2C1 ZINC001054277962 1349277920 /nfs/dbraw/zinc/27/79/20/1349277920.db2.gz FTAVMMICGVZOIH-LJQANCHMSA-N 2 0 343.515 3.150 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001054297980 1349302361 /nfs/dbraw/zinc/30/23/61/1349302361.db2.gz IDPKLACKJBVZIV-NLWGTHIKSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC001054659323 1349430855 /nfs/dbraw/zinc/43/08/55/1349430855.db2.gz PVDUXENKWYFYFX-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317995 1357572827 /nfs/dbraw/zinc/57/28/27/1357572827.db2.gz FKFGUJYFZXTLKW-QRQLOZEOSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@H]2C)C1 ZINC001080311053 1357568901 /nfs/dbraw/zinc/56/89/01/1357568901.db2.gz PPNGDGITYHCTMI-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@H]2C)C1 ZINC001080310948 1357569244 /nfs/dbraw/zinc/56/92/44/1357569244.db2.gz KTOIJYFASQCBMZ-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080556996 1357677149 /nfs/dbraw/zinc/67/71/49/1357677149.db2.gz AZAWOPPBJQOHSU-BHIYHBOVSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554542 1357677341 /nfs/dbraw/zinc/67/73/41/1357677341.db2.gz VAFMXWXKLUOJAL-WSTZPKSXSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC)C1 ZINC001183128961 1387266577 /nfs/dbraw/zinc/26/65/77/1387266577.db2.gz BDGHIDKVJHQGQU-QWFCFKBJSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCCC1CCC1 ZINC001071645251 1354823908 /nfs/dbraw/zinc/82/39/08/1354823908.db2.gz IFXINJYZFZOCGQ-HKUYNNGSSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CC1CCCC1 ZINC001071650327 1354827416 /nfs/dbraw/zinc/82/74/16/1354827416.db2.gz BCGLEZCXOWHOLL-CRAIPNDOSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CCC(C)(C)C ZINC001071689198 1354852382 /nfs/dbraw/zinc/85/23/82/1354852382.db2.gz HLZWMAGVTUVIEL-WBVHZDCISA-N 2 0 342.487 3.353 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071689152 1354852410 /nfs/dbraw/zinc/85/24/10/1354852410.db2.gz GPOWOUINFKRYCX-MAUKXSAKSA-N 2 0 342.487 3.353 20 0 EGADRP C[N@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089200506 1360247539 /nfs/dbraw/zinc/24/75/39/1360247539.db2.gz OHFNWRKOFCDLBJ-IBGZPJMESA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001071954574 1355041511 /nfs/dbraw/zinc/04/15/11/1355041511.db2.gz QWGRFCWMSVFKCK-YLJYHZDGSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072813392 1355449118 /nfs/dbraw/zinc/44/91/18/1355449118.db2.gz QIOWENWHBLCOFI-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001183221723 1387281793 /nfs/dbraw/zinc/28/17/93/1387281793.db2.gz ZTJAGWBBYKPOCR-WIYYLYMNSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462640 1355796228 /nfs/dbraw/zinc/79/62/28/1355796228.db2.gz VPBXULIFTIMLFX-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001074686223 1356224427 /nfs/dbraw/zinc/22/44/27/1356224427.db2.gz ZORYHQNCVMNHID-SXLOBPIMSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001074767350 1356234040 /nfs/dbraw/zinc/23/40/40/1356234040.db2.gz SPWBHLQKCKVRJS-VDGAXYAQSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)c1ccccc1Cl ZINC001075110982 1356310534 /nfs/dbraw/zinc/31/05/34/1356310534.db2.gz VYQJBMGWVUOBPO-MPGHIAIKSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457101 1356389379 /nfs/dbraw/zinc/38/93/79/1356389379.db2.gz JXWNMCYSYNZDDD-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099297850 1363737013 /nfs/dbraw/zinc/73/70/13/1363737013.db2.gz JIUIXNQFDLDONU-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2)[NH+]1CCCCC1 ZINC001078625800 1357039680 /nfs/dbraw/zinc/03/96/80/1357039680.db2.gz GTEGJPDMQJKVKY-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001080756206 1357733654 /nfs/dbraw/zinc/73/36/54/1357733654.db2.gz LXYJORVAKYFKAM-QRVBRYPASA-N 2 0 335.536 3.044 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CCC1=CCCCC1 ZINC001183410631 1387307016 /nfs/dbraw/zinc/30/70/16/1387307016.db2.gz OCBLJHOXNVZGJF-WIYYLYMNSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001082782764 1358092376 /nfs/dbraw/zinc/09/23/76/1358092376.db2.gz OVVWZYNLGIWVLM-ZIFCJYIRSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001084448919 1358216808 /nfs/dbraw/zinc/21/68/08/1358216808.db2.gz KOCMLQJGYKNTFJ-VAMGGRTRSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCCCC3)[C@H]2C1)[NH+](C)C ZINC001085025366 1358370586 /nfs/dbraw/zinc/37/05/86/1358370586.db2.gz WLWICICRFYOGCC-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049751 1358378686 /nfs/dbraw/zinc/37/86/86/1358378686.db2.gz WQVZOAADSQFBGV-AABGKKOBSA-N 2 0 347.547 3.138 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)cs1 ZINC001085246017 1358443254 /nfs/dbraw/zinc/44/32/54/1358443254.db2.gz YTSYWHZIEXBADY-KURKYZTESA-N 2 0 349.544 3.058 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085331809 1358470465 /nfs/dbraw/zinc/47/04/65/1358470465.db2.gz APKOQRVGFKRJRK-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085432482 1358498424 /nfs/dbraw/zinc/49/84/24/1358498424.db2.gz ZOXVHVBZQZAFGK-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001085432239 1358498470 /nfs/dbraw/zinc/49/84/70/1358498470.db2.gz PAZFJXBXISDPMT-RTBURBONSA-N 2 0 331.504 3.035 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798801 1358774014 /nfs/dbraw/zinc/77/40/14/1358774014.db2.gz AYJLLUNHZYXACQ-UXHICEINSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085855730 1358822180 /nfs/dbraw/zinc/82/21/80/1358822180.db2.gz IBRFXMRLWMYCJR-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085855780 1358822686 /nfs/dbraw/zinc/82/26/86/1358822686.db2.gz JCIJMIOLANKSOW-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994166 1358948612 /nfs/dbraw/zinc/94/86/12/1358948612.db2.gz DOXSRADYXWDOSW-DLBZAZTESA-N 2 0 349.519 3.314 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC(C)C)o1 ZINC001085994618 1358949741 /nfs/dbraw/zinc/94/97/41/1358949741.db2.gz PVHROLLUHJVBLC-KRWDZBQOSA-N 2 0 349.519 3.314 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)cc1 ZINC001086225985 1359032993 /nfs/dbraw/zinc/03/29/93/1359032993.db2.gz TZORIZKXRVIQQP-PUZFROQSSA-N 2 0 343.515 3.036 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086253621 1359043261 /nfs/dbraw/zinc/04/32/61/1359043261.db2.gz NVFCVWOQLGAVJN-YSTOQKLRSA-N 2 0 347.547 3.092 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001086418350 1359091630 /nfs/dbraw/zinc/09/16/30/1359091630.db2.gz MWBFAWLLYVGTRQ-BXWFABGCSA-N 2 0 348.450 3.194 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086456148 1359102713 /nfs/dbraw/zinc/10/27/13/1359102713.db2.gz SMKGIDZKYFMUHZ-UFYCRDLUSA-N 2 0 347.547 3.093 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086533499 1359134528 /nfs/dbraw/zinc/13/45/28/1359134528.db2.gz NVFCVWOQLGAVJN-UAFMIMERSA-N 2 0 347.547 3.092 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001086743818 1359194109 /nfs/dbraw/zinc/19/41/09/1359194109.db2.gz MACGOUBOAWXENY-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)cc1 ZINC001086829628 1359209583 /nfs/dbraw/zinc/20/95/83/1359209583.db2.gz IUKMKDXWULHZCJ-AZUAARDMSA-N 2 0 343.515 3.036 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086850014 1359213587 /nfs/dbraw/zinc/21/35/87/1359213587.db2.gz MCTGEZHLZVSYEC-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086926103 1359251479 /nfs/dbraw/zinc/25/14/79/1359251479.db2.gz PCRQEHJGXZOKFD-OALUTQOASA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939778 1359262263 /nfs/dbraw/zinc/26/22/63/1359262263.db2.gz ZJZJUXHSHOWISU-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942551 1359264098 /nfs/dbraw/zinc/26/40/98/1359264098.db2.gz VDQKHOBNIIEJNR-RTBURBONSA-N 2 0 347.547 3.140 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087577937 1359539660 /nfs/dbraw/zinc/53/96/60/1359539660.db2.gz RFLNMXNQTYGBIX-RSPOEFSDSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1CC ZINC001087593572 1359547854 /nfs/dbraw/zinc/54/78/54/1359547854.db2.gz LTNILIZXAPJOEQ-ZCNNSNEGSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CCCC1CCC1 ZINC001087725877 1359613315 /nfs/dbraw/zinc/61/33/15/1359613315.db2.gz IPEMSYJSTCJREV-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001087726095 1359614697 /nfs/dbraw/zinc/61/46/97/1359614697.db2.gz QQBYLPYMFHYMPY-YTQUADARSA-N 2 0 347.547 3.020 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C[C@H]1C ZINC001184272445 1387421814 /nfs/dbraw/zinc/42/18/14/1387421814.db2.gz FYDYKCPZQWIMJZ-WIJVFFIESA-N 2 0 346.519 3.163 20 0 EGADRP CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001088367996 1359852175 /nfs/dbraw/zinc/85/21/75/1359852175.db2.gz YVDCXHTYGOTJOU-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001088373633 1359854830 /nfs/dbraw/zinc/85/48/30/1359854830.db2.gz JZQMHAMSVPHUTO-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001088380729 1359864536 /nfs/dbraw/zinc/86/45/36/1359864536.db2.gz NXYICVKLGAJGBG-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088381997 1359865273 /nfs/dbraw/zinc/86/52/73/1359865273.db2.gz ROQBCEGZNJGFTM-AZUAARDMSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001088393924 1359870497 /nfs/dbraw/zinc/87/04/97/1359870497.db2.gz QPOIQMLZKWUHMT-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088413281 1359884357 /nfs/dbraw/zinc/88/43/57/1359884357.db2.gz BXVYYQASBIJZHQ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001088431439 1359898789 /nfs/dbraw/zinc/89/87/89/1359898789.db2.gz VQYDHZJTNRHKHL-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088693110 1360013432 /nfs/dbraw/zinc/01/34/32/1360013432.db2.gz LWXRBZIOUKNBPB-HOJAQTOUSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1CCCCCC1 ZINC001088836103 1360070919 /nfs/dbraw/zinc/07/09/19/1360070919.db2.gz FNXCJCUDBBFPNA-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCCC2)CC[N@@H+]1C ZINC001089181532 1360230751 /nfs/dbraw/zinc/23/07/51/1360230751.db2.gz UEMQSNDJGLJRSR-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1=CCCCC1)C1CCC1 ZINC001089186599 1360237039 /nfs/dbraw/zinc/23/70/39/1360237039.db2.gz IMNKVXYYEHLKGQ-FQEVSTJZSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001089207728 1360252926 /nfs/dbraw/zinc/25/29/26/1360252926.db2.gz AVZNQDOMPOGMST-YZGWKJHDSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1C)[NH+](C)C ZINC001089226266 1360267925 /nfs/dbraw/zinc/26/79/25/1360267925.db2.gz YABQALNLBAYPPX-PMACEKPBSA-N 2 0 345.531 3.148 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2=CCCCC2)C1 ZINC001089227406 1360268867 /nfs/dbraw/zinc/26/88/67/1360268867.db2.gz UGXYJEPSIZBQPJ-ICSRJNTNSA-N 2 0 347.547 3.142 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001089426182 1360419006 /nfs/dbraw/zinc/41/90/06/1360419006.db2.gz HZPPAQGRWWZERB-INIZCTEOSA-N 2 0 342.487 3.272 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426535 1360419235 /nfs/dbraw/zinc/41/92/35/1360419235.db2.gz IYEDRIZWRCPBBJ-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441564 1360431688 /nfs/dbraw/zinc/43/16/88/1360431688.db2.gz IGSLWEZZQDMHTA-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2=CCCCC2)C1 ZINC001089731952 1360635761 /nfs/dbraw/zinc/63/57/61/1360635761.db2.gz ITQRRAHRYKKZRR-OALUTQOASA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCCC2CCC2)C1 ZINC001089732187 1360636049 /nfs/dbraw/zinc/63/60/49/1360636049.db2.gz OPNKANUVXAIUTM-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001091064777 1360988155 /nfs/dbraw/zinc/98/81/55/1360988155.db2.gz PULQLBPZHBRGRR-IOJLRTSASA-N 2 0 349.563 3.029 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184565284 1387493516 /nfs/dbraw/zinc/49/35/16/1387493516.db2.gz HNEWCFXYADPUBA-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001184565342 1387493696 /nfs/dbraw/zinc/49/36/96/1387493696.db2.gz IGLTXHHBXAFBKK-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184577427 1387496589 /nfs/dbraw/zinc/49/65/89/1387496589.db2.gz MNTBWIWSUMQWMQ-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001184577351 1387496730 /nfs/dbraw/zinc/49/67/30/1387496730.db2.gz LYMFMKPRQLUVNB-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184627968 1387501261 /nfs/dbraw/zinc/50/12/61/1387501261.db2.gz AIIIYHDITPDAKM-IPLHWJFFSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092658150 1361434369 /nfs/dbraw/zinc/43/43/69/1361434369.db2.gz JTKIDFCYTBTRIC-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001184711136 1387516388 /nfs/dbraw/zinc/51/63/88/1387516388.db2.gz BPCUOLKSMZTJRG-MJGOQNOKSA-N 2 0 349.563 3.291 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184722978 1387520182 /nfs/dbraw/zinc/52/01/82/1387520182.db2.gz GIIZHTZOXUPRCK-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001324075257 1387530237 /nfs/dbraw/zinc/53/02/37/1387530237.db2.gz PVRATYIRUWLHGF-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413400 1361790422 /nfs/dbraw/zinc/79/04/22/1361790422.db2.gz DNVDXAWFSTZWPC-SFHLNBCPSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)C)CC3)CC[N@@H+]1C ZINC001094421171 1361794438 /nfs/dbraw/zinc/79/44/38/1361794438.db2.gz RUWYVDCBSMDDED-QEUVDIPISA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001324097251 1387540221 /nfs/dbraw/zinc/54/02/21/1387540221.db2.gz ITIKGVDZTURFDD-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001095242346 1362065047 /nfs/dbraw/zinc/06/50/47/1362065047.db2.gz MDTHHBZYAIURLA-YDZRNGNQSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184892956 1387557523 /nfs/dbraw/zinc/55/75/23/1387557523.db2.gz SWHMAGJBXZTURG-RBUKOAKNSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095498731 1362157424 /nfs/dbraw/zinc/15/74/24/1362157424.db2.gz CCNWSQGLJBHBJO-OWSLCNJRSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)[NH+]1CCCC1 ZINC001095863506 1362258319 /nfs/dbraw/zinc/25/83/19/1362258319.db2.gz RGUMGHKASRAZCC-QYZOEREBSA-N 2 0 347.547 3.163 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001096314271 1362460340 /nfs/dbraw/zinc/46/03/40/1362460340.db2.gz APZFUJAWGHGCEW-FYQPLNBISA-N 2 0 349.563 3.409 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001096610722 1362595944 /nfs/dbraw/zinc/59/59/44/1362595944.db2.gz CHVDYNFLDDWRDR-FUMNGEBKSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444707 1362993448 /nfs/dbraw/zinc/99/34/48/1362993448.db2.gz DDNOETPFJFRZRU-QRQLOZEOSA-N 2 0 340.471 3.106 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001098191449 1363250600 /nfs/dbraw/zinc/25/06/00/1363250600.db2.gz GSZDOYSRXXTLEM-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001324449233 1387624987 /nfs/dbraw/zinc/62/49/87/1387624987.db2.gz BHGATVNQHITNIX-VQTJNVASSA-N 2 0 339.483 3.089 20 0 EGADRP CCC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098825862 1363483228 /nfs/dbraw/zinc/48/32/28/1363483228.db2.gz HSPWIVJLVNFBEE-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875060 1363501561 /nfs/dbraw/zinc/50/15/61/1363501561.db2.gz MEERVTWMGIHXHP-ZJOUEHCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099116949 1363633066 /nfs/dbraw/zinc/63/30/66/1363633066.db2.gz XXLYCSXZVJDJMQ-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215768 1363696242 /nfs/dbraw/zinc/69/62/42/1363696242.db2.gz ZLPFCXUTAMYLTM-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234021 1363705318 /nfs/dbraw/zinc/70/53/18/1363705318.db2.gz GBTODHPGSHLPED-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240916 1363709163 /nfs/dbraw/zinc/70/91/63/1363709163.db2.gz VQJMJLBUOUWLDO-OXUXSNCKSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099252309 1363714541 /nfs/dbraw/zinc/71/45/41/1363714541.db2.gz UMNBORJHOWRJOP-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099252307 1363715126 /nfs/dbraw/zinc/71/51/26/1363715126.db2.gz UMNBORJHOWRJOP-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310410 1363743321 /nfs/dbraw/zinc/74/33/21/1363743321.db2.gz LGLAVIPVWQUTHJ-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@H](F)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310642 1363744282 /nfs/dbraw/zinc/74/42/82/1363744282.db2.gz RTYMUMFMDMFGFL-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354204 1363768216 /nfs/dbraw/zinc/76/82/16/1363768216.db2.gz OFHPTCZPEVDQKT-BLGFXRMMSA-N 2 0 337.552 3.290 20 0 EGADRP CC1(C)CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)[N@H+](CC2CCC2)C1 ZINC001099355107 1363768906 /nfs/dbraw/zinc/76/89/06/1363768906.db2.gz XUQJKDQWRTZVOS-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C2CC(CNC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001100411678 1364105352 /nfs/dbraw/zinc/10/53/52/1364105352.db2.gz MUOBSCNYMFZWJQ-LRYGQEGESA-N 2 0 343.515 3.025 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468706 1364125924 /nfs/dbraw/zinc/12/59/24/1364125924.db2.gz LHIWTHGQPKPYFH-UHFFFAOYSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537281 1364151281 /nfs/dbraw/zinc/15/12/81/1364151281.db2.gz NRHXPNSQYVKXEM-WAYWQWQTSA-N 2 0 349.563 3.339 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681943 1364216231 /nfs/dbraw/zinc/21/62/31/1364216231.db2.gz ZSZLRHXSPWAVCR-AOCRQIFASA-N 2 0 339.568 3.131 20 0 EGADRP C[N@H+](CC(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001100681851 1364216380 /nfs/dbraw/zinc/21/63/80/1364216380.db2.gz VMTMOHWBCGUQSD-UHFFFAOYSA-N 2 0 349.563 3.029 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)CC1 ZINC001100732976 1364239811 /nfs/dbraw/zinc/23/98/11/1364239811.db2.gz HIDASYQBKRZTFE-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001101026504 1364381170 /nfs/dbraw/zinc/38/11/70/1364381170.db2.gz LGSMIDNCZKTQRU-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001101036256 1364383659 /nfs/dbraw/zinc/38/36/59/1364383659.db2.gz LNURPWKHTKKIPX-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001101037242 1364383824 /nfs/dbraw/zinc/38/38/24/1364383824.db2.gz DZBVSXDOTMKBIQ-DAWZGUTISA-N 2 0 337.552 3.027 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001101521873 1364596889 /nfs/dbraw/zinc/59/68/89/1364596889.db2.gz FDNUBDCFZRVDKB-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541406 1364607301 /nfs/dbraw/zinc/60/73/01/1364607301.db2.gz DHGFRJVAHVHRDX-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001101549404 1364612597 /nfs/dbraw/zinc/61/25/97/1364612597.db2.gz LODCQDJQQQAYIW-SFHVURJKSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001101568038 1364623623 /nfs/dbraw/zinc/62/36/23/1364623623.db2.gz KVRDDFPOPTUBBZ-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001101574023 1364628023 /nfs/dbraw/zinc/62/80/23/1364628023.db2.gz NRIMUNPAPJZDAY-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001101574734 1364628826 /nfs/dbraw/zinc/62/88/26/1364628826.db2.gz BDWMYECTOMRAKJ-PKOBYXMFSA-N 2 0 349.563 3.005 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046034 1364821562 /nfs/dbraw/zinc/82/15/62/1364821562.db2.gz IXZMDMFBHQFURH-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001102071698 1364837341 /nfs/dbraw/zinc/83/73/41/1364837341.db2.gz SELJSVZHMHLBJN-RLLQIKCJSA-N 2 0 349.563 3.147 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598847 1365130340 /nfs/dbraw/zinc/13/03/40/1365130340.db2.gz CLLOFZUDVLZUTE-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102613381 1365137723 /nfs/dbraw/zinc/13/77/23/1365137723.db2.gz YSDPPKMQPWPURW-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185870 1365425483 /nfs/dbraw/zinc/42/54/83/1365425483.db2.gz VNHVRWPUETWMMN-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103397008 1365534690 /nfs/dbraw/zinc/53/46/90/1365534690.db2.gz UGETTWGTOPEJJR-CWHLKURSSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C)[NH+](CC)CC ZINC001103426692 1365553233 /nfs/dbraw/zinc/55/32/33/1365553233.db2.gz IQLAHMMFZDMDRH-QRVBRYPASA-N 2 0 337.552 3.147 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103438402 1365561296 /nfs/dbraw/zinc/56/12/96/1365561296.db2.gz GKYIWAQLVWICNH-RCCFBDPRSA-N 2 0 339.568 3.085 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439511 1365561750 /nfs/dbraw/zinc/56/17/50/1365561750.db2.gz FXNCJZVKDXOIBB-QZTJIDSGSA-N 2 0 339.568 3.085 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103536875 1365619737 /nfs/dbraw/zinc/61/97/37/1365619737.db2.gz GZQNCKPUHLIRJD-YLJYHZDGSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001185679305 1387775568 /nfs/dbraw/zinc/77/55/68/1387775568.db2.gz BKZCALGHKOGTNX-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001185682650 1387777196 /nfs/dbraw/zinc/77/71/96/1387777196.db2.gz SDMIFAYRKZYZEP-ICSRJNTNSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185709080 1387783347 /nfs/dbraw/zinc/78/33/47/1387783347.db2.gz DSTNLFDZOYOALA-VQTJNVASSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185709079 1387783390 /nfs/dbraw/zinc/78/33/90/1387783390.db2.gz DSTNLFDZOYOALA-UXHICEINSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C2)C1 ZINC001104573607 1366082720 /nfs/dbraw/zinc/08/27/20/1366082720.db2.gz XPXGEXHZZFPILM-VAMGGRTRSA-N 2 0 349.563 3.149 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@H]2[N@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396735 1366445078 /nfs/dbraw/zinc/44/50/78/1366445078.db2.gz UKECQSOXZZILDW-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105556638 1366529512 /nfs/dbraw/zinc/52/95/12/1366529512.db2.gz MLBWWYTVKFPQRV-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC(C)C)CCC1)[NH+](C)C ZINC001105566355 1366534880 /nfs/dbraw/zinc/53/48/80/1366534880.db2.gz IYJCWPHUKNAFBF-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1)[NH+](C)C ZINC001105566726 1366535302 /nfs/dbraw/zinc/53/53/02/1366535302.db2.gz SYWBOAKRFMSERM-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001105568026 1366535627 /nfs/dbraw/zinc/53/56/27/1366535627.db2.gz DHBNSKXKOCCETP-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576610 1366540854 /nfs/dbraw/zinc/54/08/54/1366540854.db2.gz JDQVEICJGURWMT-OALUTQOASA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576738 1366541084 /nfs/dbraw/zinc/54/10/84/1366541084.db2.gz MDTKPMRHLNOFDC-LJQANCHMSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)CCC1 ZINC001105579819 1366542917 /nfs/dbraw/zinc/54/29/17/1366542917.db2.gz WPHQXHVUNSENCP-IBGZPJMESA-N 2 0 349.563 3.413 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860140 1366818536 /nfs/dbraw/zinc/81/85/36/1366818536.db2.gz KYXFMXWQFPGYPL-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)c1ccccc1 ZINC001106898067 1366827287 /nfs/dbraw/zinc/82/72/87/1366827287.db2.gz QWBGVPSQOLEEFU-WSTZPKSXSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106905446 1366829102 /nfs/dbraw/zinc/82/91/02/1366829102.db2.gz PXGDNOSDEQCTDT-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107402820 1366953840 /nfs/dbraw/zinc/95/38/40/1366953840.db2.gz SABGWEGBBXTSIB-SFHLNBCPSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2)CC(C)(C)C ZINC001107552668 1367039232 /nfs/dbraw/zinc/03/92/32/1367039232.db2.gz QVKXMGVRRWWZSH-WIYYLYMNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)C)CC2 ZINC001107598656 1367065267 /nfs/dbraw/zinc/06/52/67/1367065267.db2.gz PISYOKOMOCWABS-UYAOXDASSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633890 1367085866 /nfs/dbraw/zinc/08/58/66/1367085866.db2.gz FPYYAZJZFQYSJM-UYAOXDASSA-N 2 0 335.536 3.023 20 0 EGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)CC(C)(C)CC[NH3+] ZINC001189754063 1367103128 /nfs/dbraw/zinc/10/31/28/1367103128.db2.gz HZOVYNXSPGOISG-MRXNPFEDSA-N 2 0 349.519 3.397 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)CC1 ZINC001109464390 1367138515 /nfs/dbraw/zinc/13/85/15/1367138515.db2.gz YDQKJHOGTARYSH-GXZRBYELSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190084471 1367169150 /nfs/dbraw/zinc/16/91/50/1367169150.db2.gz NWDBJGXQSKTQRS-QZTJIDSGSA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174612 1367190572 /nfs/dbraw/zinc/19/05/72/1367190572.db2.gz GPVKEPXVAPCNEZ-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177131 1367191363 /nfs/dbraw/zinc/19/13/63/1367191363.db2.gz PPQJGSSHAMAUNC-DKFQHHCZSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565202 1367201749 /nfs/dbraw/zinc/20/17/49/1367201749.db2.gz DYMABORKAQUPOD-QYZOEREBSA-N 2 0 349.563 3.409 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190443157 1367267475 /nfs/dbraw/zinc/26/74/75/1367267475.db2.gz FITHUFZPVQGFFT-IAGOWNOFSA-N 2 0 343.531 3.025 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724208 1367293332 /nfs/dbraw/zinc/29/33/32/1367293332.db2.gz HKYRABCHGZLKOE-SQNIBIBYSA-N 2 0 337.552 3.122 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC ZINC001109855940 1367359936 /nfs/dbraw/zinc/35/99/36/1367359936.db2.gz ALNPQSGOOXIZKL-YRXWBPOGSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001109856328 1367360924 /nfs/dbraw/zinc/36/09/24/1367360924.db2.gz LSAFGFOJUZDOSO-QYZOEREBSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001109858146 1367363156 /nfs/dbraw/zinc/36/31/56/1367363156.db2.gz WPURVHVWUOBGRZ-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868362 1367370545 /nfs/dbraw/zinc/37/05/45/1367370545.db2.gz MWOBADSPNFSJRQ-WCIQWLHISA-N 2 0 343.515 3.201 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001190997033 1367399028 /nfs/dbraw/zinc/39/90/28/1367399028.db2.gz PTGFEJTWNUJVGJ-LJQANCHMSA-N 2 0 345.531 3.066 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001109932319 1367410988 /nfs/dbraw/zinc/41/09/88/1367410988.db2.gz GGTDDVDHNGDSBO-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080540 1367419359 /nfs/dbraw/zinc/41/93/59/1367419359.db2.gz IMWFEKMKYICOBX-WWTANLFGSA-N 2 0 349.563 3.386 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082511 1367420875 /nfs/dbraw/zinc/42/08/75/1367420875.db2.gz ZSAWUCGMVZEZLN-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cccc(OC[C@@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C(C)C)c1 ZINC001191205187 1367446052 /nfs/dbraw/zinc/44/60/52/1367446052.db2.gz ZKOMGAVRIJMMPW-FQEVSTJZSA-N 2 0 348.531 3.321 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001110002802 1367453713 /nfs/dbraw/zinc/45/37/13/1367453713.db2.gz VTMIKBZULMYYNC-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC1CCC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)CC1 ZINC001110007218 1367455829 /nfs/dbraw/zinc/45/58/29/1367455829.db2.gz MZRCKEUMCUQJPI-PBDJWPIDSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717461 1367553854 /nfs/dbraw/zinc/55/38/54/1367553854.db2.gz LAWITXDOHIDVAE-OHANDMKSSA-N 2 0 335.536 3.042 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001108799027 1367603377 /nfs/dbraw/zinc/60/33/77/1367603377.db2.gz KGCVPYRXPOFERA-BBWFWOEESA-N 2 0 346.519 3.093 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001192045579 1367673900 /nfs/dbraw/zinc/67/39/00/1367673900.db2.gz GLDWKDHHUKPKLG-RTBURBONSA-N 2 0 345.531 3.239 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001192048205 1367674445 /nfs/dbraw/zinc/67/44/45/1367674445.db2.gz XIMLDVAKKHFFSJ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192672633 1367847136 /nfs/dbraw/zinc/84/71/36/1367847136.db2.gz WDERMLBRJXQNSQ-ZWKOTPCHSA-N 2 0 337.552 3.218 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1 ZINC001192906908 1367901061 /nfs/dbraw/zinc/90/10/61/1367901061.db2.gz RLMIKKLYAQJDPK-SFHVURJKSA-N 2 0 325.541 3.077 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001192906907 1367901565 /nfs/dbraw/zinc/90/15/65/1367901565.db2.gz RLMIKKLYAQJDPK-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660552 1367903158 /nfs/dbraw/zinc/90/31/58/1367903158.db2.gz FIOQIDROPZNHST-MANSERQUSA-N 2 0 335.536 3.161 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001193560024 1368060961 /nfs/dbraw/zinc/06/09/61/1368060961.db2.gz NYDWGPBIKAFYTR-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)C(C)C ZINC001111163994 1368173718 /nfs/dbraw/zinc/17/37/18/1368173718.db2.gz CYGJLNSFPSWVCM-ZRNYENFQSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245439 1368216376 /nfs/dbraw/zinc/21/63/76/1368216376.db2.gz AIXWLZIWIBTZCA-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194247307 1368216894 /nfs/dbraw/zinc/21/68/94/1368216894.db2.gz WHJXPQQNBSOGGI-IBGZPJMESA-N 2 0 345.531 3.475 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001111462451 1368311403 /nfs/dbraw/zinc/31/14/03/1368311403.db2.gz XXMCUMNRTJBGET-ZRNYENFQSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463571 1368311542 /nfs/dbraw/zinc/31/15/42/1368311542.db2.gz YYUGPAKFXGSIEM-ZRNYENFQSA-N 2 0 347.547 3.185 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C(C)C)C3)c1 ZINC001111464330 1368311930 /nfs/dbraw/zinc/31/19/30/1368311930.db2.gz REXOAOIRQGQISN-NBYUQASBSA-N 2 0 343.515 3.118 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001195111446 1368380283 /nfs/dbraw/zinc/38/02/83/1368380283.db2.gz CNXJOMGADZCKNN-VAMGGRTRSA-N 2 0 329.532 3.171 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1)C(C)C ZINC001186428069 1387941121 /nfs/dbraw/zinc/94/11/21/1387941121.db2.gz MRZZDOQZYKMLAF-WOJBJXKFSA-N 2 0 345.531 3.052 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001111857906 1368508453 /nfs/dbraw/zinc/50/84/53/1368508453.db2.gz DYONMXMXUASKNR-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC001195902766 1368514036 /nfs/dbraw/zinc/51/40/36/1368514036.db2.gz OPXRZOOMPMMTBS-FGZHOGPDSA-N 2 0 343.559 3.498 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCC1)C2 ZINC001111947587 1368570188 /nfs/dbraw/zinc/57/01/88/1368570188.db2.gz PTRYGMHVKIYHCA-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111950918 1368571464 /nfs/dbraw/zinc/57/14/64/1368571464.db2.gz JRFUHMLLEGFESK-GGVAOPBYSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112428462 1368843261 /nfs/dbraw/zinc/84/32/61/1368843261.db2.gz IXTVBZFYLUSMEU-ZVDOUQERSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197692364 1368874109 /nfs/dbraw/zinc/87/41/09/1368874109.db2.gz UYBOVBVKNAMBRJ-LJQANCHMSA-N 2 0 331.504 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001197922412 1368925022 /nfs/dbraw/zinc/92/50/22/1368925022.db2.gz RONVCKHCZQZCTF-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112568121 1368930447 /nfs/dbraw/zinc/93/04/47/1368930447.db2.gz YPUVCLBRQTUVFE-AHHPOWTJSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585310 1368938458 /nfs/dbraw/zinc/93/84/58/1368938458.db2.gz PVSBECFMCUHXQI-FPOVZHCZSA-N 2 0 349.563 3.271 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@H+](CCCCCF)CC2)c1 ZINC001198229825 1368984710 /nfs/dbraw/zinc/98/47/10/1368984710.db2.gz OYZDZUFXWXMPFR-UHFFFAOYSA-N 2 0 349.494 3.036 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001198244380 1368987239 /nfs/dbraw/zinc/98/72/39/1368987239.db2.gz XXHJBPKDNJUSHU-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186605558 1387984332 /nfs/dbraw/zinc/98/43/32/1387984332.db2.gz PRXTXSHICAGWEI-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CCC(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1)C1CCCCC1 ZINC001113156577 1369233239 /nfs/dbraw/zinc/23/32/39/1369233239.db2.gz MNBILHCDXKBSEI-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)[NH+](CC)CC ZINC001113341409 1369358823 /nfs/dbraw/zinc/35/88/23/1369358823.db2.gz WFAJYGFMTJRUFA-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001113567903 1369495819 /nfs/dbraw/zinc/49/58/19/1369495819.db2.gz NCQLWGITDPGCLZ-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400754 1369536553 /nfs/dbraw/zinc/53/65/53/1369536553.db2.gz TYUCRXPWGZXZPM-YJJPMGAVSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113642796 1369540171 /nfs/dbraw/zinc/54/01/71/1369540171.db2.gz KFRJVBVNUPQJLC-PLNGDYQASA-N 2 0 335.536 3.143 20 0 EGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434867 1369545288 /nfs/dbraw/zinc/54/52/88/1369545288.db2.gz LRAUHSAGFRDPNE-LJQANCHMSA-N 2 0 345.531 3.431 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001201503827 1369558339 /nfs/dbraw/zinc/55/83/39/1369558339.db2.gz SCOCGBLFWOSVFX-VBSBHUPXSA-N 2 0 338.536 3.013 20 0 EGADRP CCOc1ncc(Cl)cc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001201508252 1369560556 /nfs/dbraw/zinc/56/05/56/1369560556.db2.gz GUUYPGREBHDADW-UHFFFAOYSA-N 2 0 347.850 3.024 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001186824615 1388011598 /nfs/dbraw/zinc/01/15/98/1388011598.db2.gz BXIUZMBOYXUUGM-FXAWDEMLSA-N 2 0 345.531 3.403 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113723053 1369586876 /nfs/dbraw/zinc/58/68/76/1369586876.db2.gz IWWJFTLACCFADV-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC(=O)c1c(F)cc(F)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667164 1369601569 /nfs/dbraw/zinc/60/15/69/1369601569.db2.gz BZXCKTJFNSVSLJ-UHFFFAOYSA-N 2 0 346.381 3.058 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201801268 1369626618 /nfs/dbraw/zinc/62/66/18/1369626618.db2.gz HLNJZBBYHJRPIA-AATRIKPKSA-N 2 0 349.563 3.435 20 0 EGADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(OC(F)F)c1 ZINC001325627052 1388015147 /nfs/dbraw/zinc/01/51/47/1388015147.db2.gz SPRXZMPRDRMIAG-CYBMUJFWSA-N 2 0 348.340 3.121 20 0 EGADRP CC(C)(C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001201935125 1369645977 /nfs/dbraw/zinc/64/59/77/1369645977.db2.gz BVAYXVOQHRUIFB-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202145017 1369701047 /nfs/dbraw/zinc/70/10/47/1369701047.db2.gz PFHJETKOJDLILM-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCC(F)(F)F)CC2 ZINC001202319598 1369737373 /nfs/dbraw/zinc/73/73/73/1369737373.db2.gz QATKXSZXLVRDFO-CQSZACIVSA-N 2 0 346.393 3.287 20 0 EGADRP Cc1ccccc1C[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202526429 1369799434 /nfs/dbraw/zinc/79/94/34/1369799434.db2.gz HIZUWWUGYGEKGQ-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC001202638739 1369834814 /nfs/dbraw/zinc/83/48/14/1369834814.db2.gz YELAPULMIQUPBR-OYRHEFFESA-N 2 0 328.500 3.175 20 0 EGADRP C[NH+](C)CCCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186938671 1388031618 /nfs/dbraw/zinc/03/16/18/1388031618.db2.gz CLQLHSWARJIWIR-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP CCc1cccc(NC(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c1 ZINC001202880242 1369915200 /nfs/dbraw/zinc/91/52/00/1369915200.db2.gz WTMPADLZQCILQP-UHFFFAOYSA-N 2 0 339.443 3.040 20 0 EGADRP C[NH+](C)CCCn1cc(Nc2ccc(CC[NH+]3CCCC3)cc2)cn1 ZINC001186997889 1388037357 /nfs/dbraw/zinc/03/73/57/1388037357.db2.gz YQLJJSNFDFZBJI-UHFFFAOYSA-N 2 0 341.503 3.217 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001202973202 1369942663 /nfs/dbraw/zinc/94/26/63/1369942663.db2.gz BYEKSIVYOLXZEB-UHFFFAOYSA-N 2 0 343.531 3.219 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203102293 1369984237 /nfs/dbraw/zinc/98/42/37/1369984237.db2.gz HQLCQFSRRCYCGK-SJORKVTESA-N 2 0 349.563 3.170 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104685 1369984621 /nfs/dbraw/zinc/98/46/21/1369984621.db2.gz SOSLGHIGSJBPMF-ZWHYWQQASA-N 2 0 349.563 3.480 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203104035 1369984725 /nfs/dbraw/zinc/98/47/25/1369984725.db2.gz PRSWGJQUPQNMGM-ROUUACIJSA-N 2 0 349.563 3.457 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)C1CCCCC1 ZINC001203230328 1370033022 /nfs/dbraw/zinc/03/30/22/1370033022.db2.gz LKCPNNNITIWXIZ-RBUKOAKNSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203251457 1370041967 /nfs/dbraw/zinc/04/19/67/1370041967.db2.gz VVYLEQLCBIAYFI-ZWKOTPCHSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001114729389 1370051516 /nfs/dbraw/zinc/05/15/16/1370051516.db2.gz QHDPVJQFSXYWLZ-ZGXWSNOMSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH2+]C/C=C\Cl)CC1)c1ccccc1 ZINC001203312223 1370077422 /nfs/dbraw/zinc/07/74/22/1370077422.db2.gz BJLCYFSQCCNFAD-RYKGSNAESA-N 2 0 349.906 3.013 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203311691 1370077527 /nfs/dbraw/zinc/07/75/27/1370077527.db2.gz OBEQPMJKZIIZCP-IRXDYDNUSA-N 2 0 347.503 3.018 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203324837 1370082528 /nfs/dbraw/zinc/08/25/28/1370082528.db2.gz JCFQZTMSKFUDRV-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461952 1370135023 /nfs/dbraw/zinc/13/50/23/1370135023.db2.gz JITUXFNMYXWEAZ-MOPGFXCFSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203507790 1370148897 /nfs/dbraw/zinc/14/88/97/1370148897.db2.gz VKDHDQWHCREJII-RBUKOAKNSA-N 2 0 343.515 3.179 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203539565 1370161303 /nfs/dbraw/zinc/16/13/03/1370161303.db2.gz OLIZRZJCNCIKMI-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203556344 1370168192 /nfs/dbraw/zinc/16/81/92/1370168192.db2.gz LUVSQGUBJDILHH-MOPGFXCFSA-N 2 0 347.547 3.090 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203732458 1370239953 /nfs/dbraw/zinc/23/99/53/1370239953.db2.gz YPWHCEQIMGETRS-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742890 1370244521 /nfs/dbraw/zinc/24/45/21/1370244521.db2.gz PYFQDCLDAVJVPW-OALUTQOASA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203791544 1370265981 /nfs/dbraw/zinc/26/59/81/1370265981.db2.gz JRUMMWPBGOQNEW-MOPGFXCFSA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203794212 1370268221 /nfs/dbraw/zinc/26/82/21/1370268221.db2.gz VSHCURZVMQQLJS-BTFXCVNISA-N 2 0 335.536 3.090 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203852784 1370289468 /nfs/dbraw/zinc/28/94/68/1370289468.db2.gz DRSYUFMVZUVONN-IRXDYDNUSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203889129 1370300004 /nfs/dbraw/zinc/30/00/04/1370300004.db2.gz XJPMVLCTOGTRKB-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001204113201 1370380533 /nfs/dbraw/zinc/38/05/33/1370380533.db2.gz WLPVSJOEHOJHTI-IYBDPMFKSA-N 2 0 344.480 3.026 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC001204266979 1370426902 /nfs/dbraw/zinc/42/69/02/1370426902.db2.gz CDMDEBGATDRMEE-HXUWFJFHSA-N 2 0 340.471 3.144 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC001204266981 1370427057 /nfs/dbraw/zinc/42/70/57/1370427057.db2.gz CERGXOVHDCCGAU-FQEVSTJZSA-N 2 0 339.483 3.402 20 0 EGADRP Cc1nc[nH]c1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001204593250 1370526362 /nfs/dbraw/zinc/52/63/62/1370526362.db2.gz QEOAXVNFTPWOIA-UHFFFAOYSA-N 2 0 330.501 3.268 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536741 1370533464 /nfs/dbraw/zinc/53/34/64/1370533464.db2.gz FXJNEYGACUZTJI-ZWKOTPCHSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)CC[N@@H+]1C ZINC001115543646 1370540072 /nfs/dbraw/zinc/54/00/72/1370540072.db2.gz UFFCRLQOHVELBT-SJLPKXTDSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001204799509 1370578881 /nfs/dbraw/zinc/57/88/81/1370578881.db2.gz YYVAWBUWMVXSPU-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](F)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579359 1370582832 /nfs/dbraw/zinc/58/28/32/1370582832.db2.gz KESGATKEGVCCGI-DLBZAZTESA-N 2 0 341.515 3.018 20 0 EGADRP c1c(CN2CC[NH+](CC3CCCCC3)CC2)sc2c1CC[NH2+]C2 ZINC001204863473 1370592879 /nfs/dbraw/zinc/59/28/79/1370592879.db2.gz HWQWTMDWNULAIF-UHFFFAOYSA-N 2 0 333.545 3.092 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1)[NH+](C)C ZINC001115591870 1370592880 /nfs/dbraw/zinc/59/28/80/1370592880.db2.gz JJMHEMJREKDOMP-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115596591 1370597683 /nfs/dbraw/zinc/59/76/83/1370597683.db2.gz NTVUPBHXLJXUGM-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630704 1370623844 /nfs/dbraw/zinc/62/38/44/1370623844.db2.gz WAATUFLUGCFQSU-INIZCTEOSA-N 2 0 342.487 3.403 20 0 EGADRP COC(=O)c1ccc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)cc1 ZINC001205054175 1370638730 /nfs/dbraw/zinc/63/87/30/1370638730.db2.gz YXPMGBFNNQJDPB-UHFFFAOYSA-N 2 0 338.451 3.311 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661691 1370645871 /nfs/dbraw/zinc/64/58/71/1370645871.db2.gz LFSPXRRMJWWEDB-UHFFFAOYSA-N 2 0 335.536 3.236 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC=C(C)C)CCCCC2)C1 ZINC001115688110 1370671287 /nfs/dbraw/zinc/67/12/87/1370671287.db2.gz LNTDVOXYGUZUIR-LJQANCHMSA-N 2 0 349.563 3.483 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)CC1 ZINC001115708053 1370687421 /nfs/dbraw/zinc/68/74/21/1370687421.db2.gz LGVWTKAZKHUTHC-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115708180 1370687633 /nfs/dbraw/zinc/68/76/33/1370687633.db2.gz SBHUVTRCAIXNTH-AATRIKPKSA-N 2 0 349.563 3.483 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001205231005 1370688508 /nfs/dbraw/zinc/68/85/08/1370688508.db2.gz VGMMEIIVLACXCH-AWEZNQCLSA-N 2 0 336.785 3.035 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205240883 1370692088 /nfs/dbraw/zinc/69/20/88/1370692088.db2.gz PALIXOANSYHJJA-OAQYLSRUSA-N 2 0 342.483 3.303 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1)[NH+](C)C ZINC001115715564 1370694660 /nfs/dbraw/zinc/69/46/60/1370694660.db2.gz MZIUVGORCISYEB-QGZVFWFLSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@]1([NH3+])CCC[N@H+](Cc2c(-c3ccccc3)nc3n2CCS3)CC1 ZINC001205273292 1370702483 /nfs/dbraw/zinc/70/24/83/1370702483.db2.gz JSUVKDMLYZNQAC-IBGZPJMESA-N 2 0 342.512 3.359 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296302 1370711664 /nfs/dbraw/zinc/71/16/64/1370711664.db2.gz LKQYYXJWRJYZIG-FQEVSTJZSA-N 2 0 325.456 3.461 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115730493 1370712841 /nfs/dbraw/zinc/71/28/41/1370712841.db2.gz LFHVFMCWPLCVMH-AEFFLSMTSA-N 2 0 349.563 3.029 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205340317 1370726442 /nfs/dbraw/zinc/72/64/42/1370726442.db2.gz WIYISCHKMMTFIH-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115759770 1370743804 /nfs/dbraw/zinc/74/38/04/1370743804.db2.gz GQVLOTQVRRUZQH-LJQANCHMSA-N 2 0 349.563 3.458 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760610 1370744362 /nfs/dbraw/zinc/74/43/62/1370744362.db2.gz PFJVABPLTWZRRM-PLNGDYQASA-N 2 0 349.563 3.483 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1)C1CC1 ZINC001205460992 1370762205 /nfs/dbraw/zinc/76/22/05/1370762205.db2.gz CENLWDJSGASMBM-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483798 1370769442 /nfs/dbraw/zinc/76/94/42/1370769442.db2.gz SCFMKQLWLYASDH-XJDXJNMNSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001187323102 1388093345 /nfs/dbraw/zinc/09/33/45/1388093345.db2.gz YKEMRHGBDRVZDF-YLJYHZDGSA-N 2 0 345.531 3.403 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519048 1370778330 /nfs/dbraw/zinc/77/83/30/1370778330.db2.gz SQXRBNNEOLMVLL-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205526404 1370781538 /nfs/dbraw/zinc/78/15/38/1370781538.db2.gz SXYVSEMADXIRAO-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC001205559844 1370791478 /nfs/dbraw/zinc/79/14/78/1370791478.db2.gz VOOQTMTZNOJIET-AWEZNQCLSA-N 2 0 333.220 3.241 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001205562084 1370792122 /nfs/dbraw/zinc/79/21/22/1370792122.db2.gz PKHBSKWCVSDCHC-KTKRTIGZSA-N 2 0 337.552 3.291 20 0 EGADRP CCn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001205563385 1370792955 /nfs/dbraw/zinc/79/29/55/1370792955.db2.gz OMDHYDJXASHPTF-LEWJYISDSA-N 2 0 338.499 3.247 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205579544 1370798509 /nfs/dbraw/zinc/79/85/09/1370798509.db2.gz NUFMKSZCTVSWQO-HNNXBMFYSA-N 2 0 345.256 3.111 20 0 EGADRP C[C@@H]1CC[N@H+](CCc2ccccc2Br)CC[C@H]1C[NH3+] ZINC001205600952 1370806272 /nfs/dbraw/zinc/80/62/72/1370806272.db2.gz COCOUMVVXARKFW-HIFRSBDPSA-N 2 0 325.294 3.298 20 0 EGADRP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1OCC1CC1 ZINC001205626948 1370816586 /nfs/dbraw/zinc/81/65/86/1370816586.db2.gz KVQYTPRMCUXZKZ-YJBOKZPZSA-N 2 0 332.488 3.291 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)cc21 ZINC001205651901 1370828462 /nfs/dbraw/zinc/82/84/62/1370828462.db2.gz LNZBQXVKJMDHOL-APWZRJJASA-N 3 0 327.516 3.495 20 0 EGADRP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205672769 1370837211 /nfs/dbraw/zinc/83/72/11/1370837211.db2.gz LMZCPMLRYRWIKL-FQEVSTJZSA-N 2 0 329.488 3.141 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205690724 1370843297 /nfs/dbraw/zinc/84/32/97/1370843297.db2.gz XBOFUVWIYADGLL-NRFANRHFSA-N 2 0 342.483 3.303 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001205725594 1370852415 /nfs/dbraw/zinc/85/24/15/1370852415.db2.gz IZUOXDXDLKUTEP-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001205734651 1370854755 /nfs/dbraw/zinc/85/47/55/1370854755.db2.gz GHQIIIMJAZSQSH-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751514 1370859738 /nfs/dbraw/zinc/85/97/38/1370859738.db2.gz GKIYJGISHHQOQA-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCc1c[nH]c2ccc(-c3cccc(N4CC[NH2+]CC4)c3)cc12 ZINC001205942920 1370920022 /nfs/dbraw/zinc/92/00/22/1370920022.db2.gz FBPCYXYXRAKCOT-UHFFFAOYSA-N 2 0 348.494 3.349 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC(F)F ZINC001205992074 1370932162 /nfs/dbraw/zinc/93/21/62/1370932162.db2.gz DGDBBIZKTZGYEB-JSGCOSHPSA-N 2 0 328.403 3.103 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1OCC1CC1 ZINC001206003557 1370935511 /nfs/dbraw/zinc/93/55/11/1370935511.db2.gz JRKIFXFNGPZFJG-YJBOKZPZSA-N 2 0 332.488 3.291 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206013050 1370937819 /nfs/dbraw/zinc/93/78/19/1370937819.db2.gz PBVCDGSTRNIOFG-DZGCQCFKSA-N 2 0 338.879 3.324 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC(F)(F)F)c1 ZINC001206013986 1370939393 /nfs/dbraw/zinc/93/93/93/1370939393.db2.gz UQAISESYAAVQMJ-OLZOCXBDSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2Oc2cnccn2)CCC[C@H]1C[NH3+] ZINC001206027879 1370942060 /nfs/dbraw/zinc/94/20/60/1370942060.db2.gz XAWFDLHMMLFCSA-CVEARBPZSA-N 2 0 326.444 3.076 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)CC1 ZINC001206062242 1370951367 /nfs/dbraw/zinc/95/13/67/1370951367.db2.gz ZZIAMVKPTGBMST-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC001206108558 1370961815 /nfs/dbraw/zinc/96/18/15/1370961815.db2.gz ILBHCEKPLOQEPD-NRFANRHFSA-N 2 0 347.547 3.398 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC001206108561 1370961871 /nfs/dbraw/zinc/96/18/71/1370961871.db2.gz ILBHCEKPLOQEPD-OAQYLSRUSA-N 2 0 347.547 3.398 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001206275474 1371009799 /nfs/dbraw/zinc/00/97/99/1371009799.db2.gz SYCDDLBNIUBBTM-XFHJGTJQSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1cnc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Br)c1 ZINC001206317866 1371020053 /nfs/dbraw/zinc/02/00/53/1371020053.db2.gz KBVDYKPYOQYUNK-OAHLLOKOSA-N 2 0 326.282 3.103 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnc(-c3ccccc3F)nc2)C1 ZINC001206556216 1371091925 /nfs/dbraw/zinc/09/19/25/1371091925.db2.gz ORCASOXFUDTCMI-IBGZPJMESA-N 2 0 328.435 3.234 20 0 EGADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001206624638 1371111644 /nfs/dbraw/zinc/11/16/44/1371111644.db2.gz XYDORJNGNOVXAJ-GFCCVEGCSA-N 2 0 336.277 3.491 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC001117954110 1371113138 /nfs/dbraw/zinc/11/31/38/1371113138.db2.gz ZQUVYWPAVWHEIU-MRXNPFEDSA-N 2 0 328.456 3.362 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001117959727 1371113568 /nfs/dbraw/zinc/11/35/68/1371113568.db2.gz HRDFJLKCWXSVMS-LJQANCHMSA-N 2 0 331.504 3.012 20 0 EGADRP COc1c(F)cc(F)cc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755436 1371154938 /nfs/dbraw/zinc/15/49/38/1371154938.db2.gz ILKPHMCHGTZJGM-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(-c2ccccc2)cn1 ZINC001206805190 1371174336 /nfs/dbraw/zinc/17/43/36/1371174336.db2.gz ASIHWZSPFZKZNC-JKSUJKDBSA-N 2 0 325.456 3.316 20 0 EGADRP COc1cc(OC)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c2ccccc12 ZINC001206810810 1371176655 /nfs/dbraw/zinc/17/66/55/1371176655.db2.gz PSPOOLWZRPDOEC-LSDHHAIUSA-N 2 0 328.456 3.416 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871216 1371198351 /nfs/dbraw/zinc/19/83/51/1371198351.db2.gz CJIUXYFFIUMVBY-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326201363 1388126824 /nfs/dbraw/zinc/12/68/24/1388126824.db2.gz HUBFBOODMMWQDY-UHFFFAOYSA-N 2 0 328.435 3.181 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950198 1371241620 /nfs/dbraw/zinc/24/16/20/1371241620.db2.gz FRNRMKIZKWWEMW-ONEGZZNKSA-N 2 0 335.536 3.047 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950522 1371241791 /nfs/dbraw/zinc/24/17/91/1371241791.db2.gz WVZBOYWOGVSDDV-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001206952270 1371242591 /nfs/dbraw/zinc/24/25/91/1371242591.db2.gz HNRYPEXHGFFKSO-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP COc1cncc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001206996828 1371262077 /nfs/dbraw/zinc/26/20/77/1371262077.db2.gz MSZQRORKEIWSRU-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP c1nc(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n2ccccc12 ZINC001207050355 1371277942 /nfs/dbraw/zinc/27/79/42/1371277942.db2.gz ONZJHEKOYJLVLN-CTNGQTDRSA-N 2 0 346.478 3.431 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC001207066787 1371284634 /nfs/dbraw/zinc/28/46/34/1371284634.db2.gz JIUWFZKSQMJYQL-MRXNPFEDSA-N 2 0 339.886 3.379 20 0 EGADRP Cc1cnc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001207082130 1371287900 /nfs/dbraw/zinc/28/79/00/1371287900.db2.gz GIYZQUJGPQOUIL-PMACEKPBSA-N 2 0 336.483 3.129 20 0 EGADRP COc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1OC(C)C ZINC001326202625 1388127076 /nfs/dbraw/zinc/12/70/76/1388127076.db2.gz TUNYJGYPJJNJDN-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)C[NH+](C)C ZINC001207283206 1371350114 /nfs/dbraw/zinc/35/01/14/1371350114.db2.gz VQTINGNPBOHTPQ-JWTNVVGKSA-N 2 0 347.551 3.466 20 0 EGADRP CC1(C)C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@](C)(CO)C1 ZINC001207287293 1371351081 /nfs/dbraw/zinc/35/10/81/1371351081.db2.gz RVZZHBLYSSPDKV-NRFANRHFSA-N 2 0 330.516 3.382 20 0 EGADRP C[NH+](C)CC(C)(C)C[N@H+](C)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001207289131 1371352880 /nfs/dbraw/zinc/35/28/80/1371352880.db2.gz ZRLSYRUTWHLVBN-IBGZPJMESA-N 2 0 341.540 3.296 20 0 EGADRP F[C@@H]1COC2(C1)CC[NH+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207292498 1371352936 /nfs/dbraw/zinc/35/29/36/1371352936.db2.gz QZJRCVCGYSQHCG-FQEVSTJZSA-N 2 0 346.490 3.492 20 0 EGADRP OCC[N@@H+](Cc1cccs1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290709 1371353133 /nfs/dbraw/zinc/35/31/33/1371353133.db2.gz FFTUXOYEKJZZBJ-UHFFFAOYSA-N 2 0 344.524 3.455 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207470373 1371404564 /nfs/dbraw/zinc/40/45/64/1371404564.db2.gz UPWRATJMKHVZJV-PWRODBHTSA-N 2 0 328.500 3.257 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001207479441 1371408629 /nfs/dbraw/zinc/40/86/29/1371408629.db2.gz IVSXOQFPZPGUIZ-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207481794 1371409715 /nfs/dbraw/zinc/40/97/15/1371409715.db2.gz PHGJCECHIITSST-CVEARBPZSA-N 2 0 339.524 3.048 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC001207485184 1371410629 /nfs/dbraw/zinc/41/06/29/1371410629.db2.gz TXBJFNKEEJLIAL-UHFFFAOYSA-N 2 0 335.923 3.190 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)s2)cn1 ZINC001119989951 1371444193 /nfs/dbraw/zinc/44/41/93/1371444193.db2.gz UCVZAXSVTPROAN-YQQAZPJKSA-N 2 0 344.528 3.311 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001207750288 1371493320 /nfs/dbraw/zinc/49/33/20/1371493320.db2.gz OJVSWIFVFLMVLY-ZHALLVOQSA-N 2 0 345.531 3.223 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120159060 1371496639 /nfs/dbraw/zinc/49/66/39/1371496639.db2.gz MBPJFQAXCRPWNS-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120189739 1371503330 /nfs/dbraw/zinc/50/33/30/1371503330.db2.gz QKHSISBPHDSKMK-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP Cc1ccc(-c2cnn(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c2)cc1 ZINC001120255245 1371515932 /nfs/dbraw/zinc/51/59/32/1371515932.db2.gz BVEVVCQPDBYEDW-ZVDOUQERSA-N 2 0 338.499 3.478 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120450587 1371581912 /nfs/dbraw/zinc/58/19/12/1371581912.db2.gz WUEPSAAYHSUVOL-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073205 1371587991 /nfs/dbraw/zinc/58/79/91/1371587991.db2.gz FEOWXRTWPWVGSE-XCLUONLBSA-N 2 0 335.536 3.044 20 0 EGADRP COC(=O)CCC[N@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208107811 1371596515 /nfs/dbraw/zinc/59/65/15/1371596515.db2.gz KRAJXGQWQZQZQB-UHFFFAOYSA-N 2 0 332.488 3.174 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163117 1371613369 /nfs/dbraw/zinc/61/33/69/1371613369.db2.gz COMVHRPZMJZVSS-IKSUFZCESA-N 2 0 335.536 3.044 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C[C@H]3CCC(C)=C[C@@H]3C)CC2)C1 ZINC001208169611 1371616997 /nfs/dbraw/zinc/61/69/97/1371616997.db2.gz QTTKRKMQNMXSDN-IPMKNSEASA-N 2 0 348.531 3.328 20 0 EGADRP COC(=O)[C@H]1CC[N@H+](CC2(C[NH+](C)C)CCCC2)[C@H]1c1ccccc1 ZINC001208187892 1371625913 /nfs/dbraw/zinc/62/59/13/1371625913.db2.gz CVAXPBDDVQCLMX-OALUTQOASA-N 2 0 344.499 3.345 20 0 EGADRP C[NH+](C)CC1(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CCCC1 ZINC001208186429 1371627027 /nfs/dbraw/zinc/62/70/27/1371627027.db2.gz QSVMZMXPZLHZQT-UHFFFAOYSA-N 2 0 347.522 3.455 20 0 EGADRP Cc1cnc2n1CCC21CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208185746 1371627058 /nfs/dbraw/zinc/62/70/58/1371627058.db2.gz PJQIQQAGYHMEOC-UHFFFAOYSA-N 2 0 330.520 3.051 20 0 EGADRP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)CC1(C[NH+](C)C)CCCC1 ZINC001208185816 1371627153 /nfs/dbraw/zinc/62/71/53/1371627153.db2.gz ILSJNTZVVQCGAY-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP COc1ccccc1O[C@@H]1CC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208192690 1371629186 /nfs/dbraw/zinc/62/91/86/1371629186.db2.gz XDOVPAZNGWMFES-QGZVFWFLSA-N 2 0 332.488 3.270 20 0 EGADRP C[NH+](C)CC1(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)CCCC1 ZINC001208189250 1371630159 /nfs/dbraw/zinc/63/01/59/1371630159.db2.gz SJKBHLCHUAHWHO-ZWKOTPCHSA-N 2 0 325.516 3.007 20 0 EGADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001208197069 1371639571 /nfs/dbraw/zinc/63/95/71/1371639571.db2.gz MGAYWWRNNJKCHH-TZIWHRDSSA-N 2 0 346.490 3.049 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208261913 1371688755 /nfs/dbraw/zinc/68/87/55/1371688755.db2.gz UYQUBMDTERROCZ-KEGWNNHHSA-N 2 0 349.544 3.360 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208279087 1371695882 /nfs/dbraw/zinc/69/58/82/1371695882.db2.gz HLRXUDCYWIQQMS-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001208373129 1371740165 /nfs/dbraw/zinc/74/01/65/1371740165.db2.gz GLWGTQFFRAIQNP-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1)c1ccccc1 ZINC001208447017 1371768630 /nfs/dbraw/zinc/76/86/30/1371768630.db2.gz FWPRFOHTYQPNIH-MOPGFXCFSA-N 2 0 345.531 3.449 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475857 1371782107 /nfs/dbraw/zinc/78/21/07/1371782107.db2.gz ZWEPPPYOYKFVTE-YSKLNCTFSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208498283 1371788621 /nfs/dbraw/zinc/78/86/21/1371788621.db2.gz OXDOBVDXFIDHAO-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563837 1371818796 /nfs/dbraw/zinc/81/87/96/1371818796.db2.gz FRWOIJVGMRWWRT-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208592359 1371831777 /nfs/dbraw/zinc/83/17/77/1371831777.db2.gz TWWBQQZBXRYNIN-LEWJYISDSA-N 2 0 329.532 3.457 20 0 EGADRP CC(C)[N@@H+]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC001208593814 1371832889 /nfs/dbraw/zinc/83/28/89/1371832889.db2.gz JHQGXAGTBGEBLX-FPOVZHCZSA-N 2 0 329.532 3.456 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001208606738 1371838166 /nfs/dbraw/zinc/83/81/66/1371838166.db2.gz GUCUPSPOOJEXNO-CEWLAPEOSA-N 2 0 328.500 3.367 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001208606741 1371838371 /nfs/dbraw/zinc/83/83/71/1371838371.db2.gz GUCUPSPOOJEXNO-TYPHKJRUSA-N 2 0 328.500 3.367 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)C1 ZINC001208612357 1371839285 /nfs/dbraw/zinc/83/92/85/1371839285.db2.gz GLYNISATTGRRMT-NJYVYQBISA-N 2 0 343.515 3.042 20 0 EGADRP Clc1ccc(CC[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC001208740619 1371879824 /nfs/dbraw/zinc/87/98/24/1371879824.db2.gz PZXOKXBQZCQUMY-HDICACEKSA-N 2 0 341.886 3.341 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121193691 1371885616 /nfs/dbraw/zinc/88/56/16/1371885616.db2.gz HDWYPPBVXWHPIW-WZXTXQKWSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232587 1371901664 /nfs/dbraw/zinc/90/16/64/1371901664.db2.gz GCVXMPKSQCGTCB-IPHBXJNRSA-N 2 0 349.563 3.027 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121232636 1371901795 /nfs/dbraw/zinc/90/17/95/1371901795.db2.gz HAMNSQCNUAHOGU-FCOWATRHSA-N 2 0 349.563 3.312 20 0 EGADRP CC[NH+]1C[C@H]2C[NH+](CCCc3cccc(Br)c3)C[C@@H]2C1 ZINC001208824676 1371906660 /nfs/dbraw/zinc/90/66/60/1371906660.db2.gz MWTPZCWIKVRCAB-HOTGVXAUSA-N 2 0 337.305 3.265 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001208870913 1371926650 /nfs/dbraw/zinc/92/66/50/1371926650.db2.gz PBWSCVKIRXCGKJ-UHFFFAOYSA-N 2 0 332.488 3.070 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC001121341169 1371943757 /nfs/dbraw/zinc/94/37/57/1371943757.db2.gz UKUYZPGTQUDPOB-UHFFFAOYSA-N 2 0 347.547 3.066 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918040 1371944096 /nfs/dbraw/zinc/94/40/96/1371944096.db2.gz CYVCUVFXDZYNNU-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@]1(C)O ZINC001208931282 1371950851 /nfs/dbraw/zinc/95/08/51/1371950851.db2.gz IUXJIMBDMIUKON-HMXCVIKNSA-N 2 0 330.516 3.382 20 0 EGADRP FC1CN(C2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208939124 1371954524 /nfs/dbraw/zinc/95/45/24/1371954524.db2.gz FQMYNAMVOIYOLA-IBGZPJMESA-N 2 0 345.506 3.017 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953496 1371959843 /nfs/dbraw/zinc/95/98/43/1371959843.db2.gz PXIDTPOZTDCOFH-PZJWPPBQSA-N 2 0 337.467 3.057 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001121469022 1371984375 /nfs/dbraw/zinc/98/43/75/1371984375.db2.gz LLDAGADZLDLDSR-FCOWATRHSA-N 2 0 347.547 3.068 20 0 EGADRP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](CCCc2cccnc2)C3)c1 ZINC001209174538 1372024985 /nfs/dbraw/zinc/02/49/85/1372024985.db2.gz LZGSRENSAJUCKB-KDURUIRLSA-N 2 0 325.456 3.061 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204505 1372037335 /nfs/dbraw/zinc/03/73/35/1372037335.db2.gz IYNWJDXAGHAIHU-RBUKOAKNSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(CC)CC)C2)C1 ZINC001209205704 1372038138 /nfs/dbraw/zinc/03/81/38/1372038138.db2.gz RGHMVVBZYOIAKQ-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1)c1ccccc1 ZINC001121664124 1372039343 /nfs/dbraw/zinc/03/93/43/1372039343.db2.gz ZZQRJQRDCZOWFY-WOLZCAMPSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223707 1372042161 /nfs/dbraw/zinc/04/21/61/1372042161.db2.gz UEGLRIKXAKLCMZ-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP c1ccc2c(c1)CC(C[NH+]1CCC(COCC[NH+]3CCCC3)CC1)C2 ZINC001209319468 1372068069 /nfs/dbraw/zinc/06/80/69/1372068069.db2.gz FTPGJVTZDCRBFU-UHFFFAOYSA-N 2 0 342.527 3.226 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001209322918 1372068694 /nfs/dbraw/zinc/06/86/94/1372068694.db2.gz BOOYEJLEZGOKTA-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP C[NH+]1CCC2(C[NH+](CCCCCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001209358574 1372076747 /nfs/dbraw/zinc/07/67/47/1372076747.db2.gz DPBCOOFQHISITM-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001121778902 1372078793 /nfs/dbraw/zinc/07/87/93/1372078793.db2.gz DAIPKSCYAWKXFW-WAYWQWQTSA-N 2 0 347.547 3.092 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001209398569 1372091264 /nfs/dbraw/zinc/09/12/64/1372091264.db2.gz PBCPSPGJFQYXJO-ACDBMABISA-N 2 0 341.584 3.176 20 0 EGADRP CC[C@@H](C[N@H+](C)CC1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001209458992 1372110927 /nfs/dbraw/zinc/11/09/27/1372110927.db2.gz SCOIWBZZLGAYTO-KRWDZBQOSA-N 2 0 341.540 3.342 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001209484300 1372118318 /nfs/dbraw/zinc/11/83/18/1372118318.db2.gz GLWGTQFFRAIQNP-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP [NH3+][C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCCCC1 ZINC001326409023 1388180231 /nfs/dbraw/zinc/18/02/31/1388180231.db2.gz PROLJUJPYCWOKG-FQEVSTJZSA-N 2 0 343.515 3.196 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC)C2 ZINC001121918943 1372122629 /nfs/dbraw/zinc/12/26/29/1372122629.db2.gz JVACEWIHJJFUBU-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565541 1372138520 /nfs/dbraw/zinc/13/85/20/1372138520.db2.gz AQZDUPVIFJZUJI-GUDVDZBRSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC(C)C)C1)[NH+](CC)CC ZINC001209614428 1372151713 /nfs/dbraw/zinc/15/17/13/1372151713.db2.gz OVEVZCRZHWKNPW-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)CC1)C2 ZINC001122022165 1372154566 /nfs/dbraw/zinc/15/45/66/1372154566.db2.gz FNELFQSPHCHEAX-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001122041506 1372159882 /nfs/dbraw/zinc/15/98/82/1372159882.db2.gz PYADWWPQLICDNN-UHOSZYNNSA-N 2 0 335.536 3.007 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122063801 1372166190 /nfs/dbraw/zinc/16/61/90/1372166190.db2.gz OEUZWLVGOLFBIB-CGAYHSHTSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@H](c1ccccc1)N(Cc1c[nH+]ccc1N)[C@@H]1C[NH+]2CCC1CC2 ZINC001209737552 1372180395 /nfs/dbraw/zinc/18/03/95/1372180395.db2.gz OEXSVTRFRQBOIZ-IIBYNOLFSA-N 2 0 336.483 3.152 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001122197096 1372199008 /nfs/dbraw/zinc/19/90/08/1372199008.db2.gz BLRSLWMMUHUWRF-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001122231829 1372207708 /nfs/dbraw/zinc/20/77/08/1372207708.db2.gz ZOROYROLOKGGHM-YQTQZHKRSA-N 2 0 349.563 3.457 20 0 EGADRP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231767 1372207768 /nfs/dbraw/zinc/20/77/68/1372207768.db2.gz WXOAUQRRZYSQGY-BZQJJPTISA-N 2 0 349.563 3.312 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122242429 1372209439 /nfs/dbraw/zinc/20/94/39/1372209439.db2.gz HILFURZYFIQGDP-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1ccccc1)C2 ZINC001122242615 1372210129 /nfs/dbraw/zinc/21/01/29/1372210129.db2.gz LPSXYAFHCDZDSP-GICSWVMSSA-N 2 0 343.515 3.105 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001209951738 1372240479 /nfs/dbraw/zinc/24/04/79/1372240479.db2.gz MMXUTJDPXAKSPV-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+]CCN1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC001210028173 1372259303 /nfs/dbraw/zinc/25/93/03/1372259303.db2.gz JMXVLKCUTMQXRH-UHFFFAOYSA-N 2 0 329.875 3.083 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210178883 1372289322 /nfs/dbraw/zinc/28/93/22/1372289322.db2.gz DQBUATLGKBTRRE-GUCYOMCDSA-N 2 0 349.563 3.434 20 0 EGADRP Cc1nc2c(F)cccc2cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262626 1372308264 /nfs/dbraw/zinc/30/82/64/1372308264.db2.gz JSRVXBNUWRRKHN-UHFFFAOYSA-N 2 0 337.402 3.231 20 0 EGADRP Brc1sccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263897 1372309316 /nfs/dbraw/zinc/30/93/16/1372309316.db2.gz ICWSEMZLUHXYMG-UHFFFAOYSA-N 2 0 339.262 3.059 20 0 EGADRP c1ccc(-c2cccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)c2)nc1 ZINC001210269135 1372310918 /nfs/dbraw/zinc/31/09/18/1372310918.db2.gz OGZQLCCRWWFAID-UHFFFAOYSA-N 2 0 331.423 3.297 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210283637 1372314580 /nfs/dbraw/zinc/31/45/80/1372314580.db2.gz QCKCOUTWWCJWEX-ZMBJWTFHSA-N 2 0 335.536 3.045 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210427653 1372350760 /nfs/dbraw/zinc/35/07/60/1372350760.db2.gz HJAJZXZHSPNKJE-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001210427606 1372350862 /nfs/dbraw/zinc/35/08/62/1372350862.db2.gz GYCZDGVSTZRTDS-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1C ZINC001210528735 1372372634 /nfs/dbraw/zinc/37/26/34/1372372634.db2.gz DYUNALQUHCIOBC-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001210634892 1372396934 /nfs/dbraw/zinc/39/69/34/1372396934.db2.gz UEICDMKBDIYDTJ-JEZWAEDTSA-N 2 0 343.943 3.222 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001210642033 1372398319 /nfs/dbraw/zinc/39/83/19/1372398319.db2.gz ADIAVHZTOYLKHB-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CCN(c2ccccc2NC2=CC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC001210708986 1372411523 /nfs/dbraw/zinc/41/15/23/1372411523.db2.gz RIHWKIRSCKPKGG-IBGZPJMESA-N 2 0 340.515 3.383 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc3cc(F)ccc3o2)CC1 ZINC001210727263 1372414445 /nfs/dbraw/zinc/41/44/45/1372414445.db2.gz CJTFHRYEHAELLL-UHFFFAOYSA-N 2 0 326.375 3.462 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210751088 1372419323 /nfs/dbraw/zinc/41/93/23/1372419323.db2.gz SBQFCTYOQUNNCF-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001210797480 1372428379 /nfs/dbraw/zinc/42/83/79/1372428379.db2.gz SSDZYHABDVAVGB-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001326468074 1388202978 /nfs/dbraw/zinc/20/29/78/1388202978.db2.gz JPJMWUGFRNUDMX-PXNSSMCTSA-N 2 0 343.515 3.404 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240758 1372510041 /nfs/dbraw/zinc/51/00/41/1372510041.db2.gz PIHCULNIJYOYFC-PHWHVTFISA-N 2 0 335.536 3.189 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001211250153 1372512161 /nfs/dbraw/zinc/51/21/61/1372512161.db2.gz SKQVHMDJGUBYRY-SFHVURJKSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@@H](C(F)(F)F)C[NH2+]3)n2)cc1 ZINC001211654811 1372596840 /nfs/dbraw/zinc/59/68/40/1372596840.db2.gz YIMHFLXIPSHKHV-OLZOCXBDSA-N 2 0 340.349 3.011 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669265 1372600045 /nfs/dbraw/zinc/60/00/45/1372600045.db2.gz QPULYGUFQSLTHV-VQTJNVASSA-N 2 0 345.531 3.103 20 0 EGADRP Cc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)c2ccccc12 ZINC001212320384 1372685510 /nfs/dbraw/zinc/68/55/10/1372685510.db2.gz GSWOAWBBRDWDBD-UHFFFAOYSA-N 2 0 336.439 3.287 20 0 EGADRP Clc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)cc1Cl ZINC001212320641 1372685894 /nfs/dbraw/zinc/68/58/94/1372685894.db2.gz UMNHMMXPVIPYJO-UHFFFAOYSA-N 2 0 341.242 3.133 20 0 EGADRP Cc1ccc2c(cccc2Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC001212796848 1372773423 /nfs/dbraw/zinc/77/34/23/1372773423.db2.gz HQHYQTCPAGSYCF-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001326520145 1388227795 /nfs/dbraw/zinc/22/77/95/1388227795.db2.gz WRZNGLMQXZCEQH-DLBZAZTESA-N 2 0 348.560 3.263 20 0 EGADRP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cc[nH+]c(C2CC2)c1 ZINC001213543388 1372922766 /nfs/dbraw/zinc/92/27/66/1372922766.db2.gz MOTZSCHNOLGOMQ-UHFFFAOYSA-N 2 0 338.455 3.463 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001188084230 1388238864 /nfs/dbraw/zinc/23/88/64/1388238864.db2.gz HKAFSIHFFUCZBI-LJQANCHMSA-N 2 0 331.504 3.133 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001188125612 1388245555 /nfs/dbraw/zinc/24/55/55/1388245555.db2.gz OACIIMOSGHOJBH-GOSISDBHSA-N 2 0 331.504 3.133 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2c(Cl)ccnc2Cl)CC1 ZINC001216302203 1373297691 /nfs/dbraw/zinc/29/76/91/1373297691.db2.gz FMWFRYYZUBVOQS-UHFFFAOYSA-N 2 0 338.242 3.279 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001128783042 1373311147 /nfs/dbraw/zinc/31/11/47/1373311147.db2.gz CVYGAJNOYWYSLZ-HXUWFJFHSA-N 2 0 343.515 3.034 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001216834164 1373349241 /nfs/dbraw/zinc/34/92/41/1373349241.db2.gz KVURBAGTFGFOIB-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1ccc(C(C)(C)C)cc1 ZINC001129358637 1373374761 /nfs/dbraw/zinc/37/47/61/1373374761.db2.gz VQCWRSIOKGTPCM-MRXNPFEDSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001129422407 1373382108 /nfs/dbraw/zinc/38/21/08/1373382108.db2.gz IHUDIELUHDFZDG-HUQFFUELSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccc2ccccc21 ZINC001130305806 1373488141 /nfs/dbraw/zinc/48/81/41/1373488141.db2.gz LRCUOPUPZDAIIE-UZLBHIALSA-N 2 0 339.483 3.091 20 0 EGADRP [NH3+]C1(Cc2nnc(-c3ccc(-c4ccccc4)cc3)o2)CC[NH2+]CC1 ZINC001217752911 1373497963 /nfs/dbraw/zinc/49/79/63/1373497963.db2.gz SMDCEUUVXOASJN-UHFFFAOYSA-N 2 0 334.423 3.027 20 0 EGADRP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2CC[NH2+]C2)cc13 ZINC001218036405 1373544747 /nfs/dbraw/zinc/54/47/47/1373544747.db2.gz NIKBSYJITFAZCA-VURPSTOHSA-N 2 0 326.484 3.116 20 0 EGADRP C[C@H]1[NH2+]C[C@@H]1Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC001218385363 1373604348 /nfs/dbraw/zinc/60/43/48/1373604348.db2.gz HJNHOHDYIMWNOY-WGCAESBKSA-N 2 0 326.484 3.114 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4C[NH2+]CCC45CC5)cc32)CC1 ZINC001218405049 1373608921 /nfs/dbraw/zinc/60/89/21/1373608921.db2.gz MTMHKBMYDHXNIG-HXUWFJFHSA-N 2 0 339.483 3.498 20 0 EGADRP CCn1c2ccccc2c2cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])ccc21 ZINC001218913599 1373666836 /nfs/dbraw/zinc/66/68/36/1373666836.db2.gz WCXJYAWPMWOEJI-KRWDZBQOSA-N 2 0 338.455 3.209 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@H]3CCC4(C3)CC[NH2+]CC4)cc2)CCC1 ZINC001218972395 1373672835 /nfs/dbraw/zinc/67/28/35/1373672835.db2.gz NHNJMBDANDJZOF-HNNXBMFYSA-N 2 0 327.472 3.133 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)cc2[nH]ccc21 ZINC001218992431 1373675127 /nfs/dbraw/zinc/67/51/27/1373675127.db2.gz LFLFFYSPGGTKTK-AWEZNQCLSA-N 2 0 336.867 3.255 20 0 EGADRP COc1cc2c(cc1NC(=O)[C@H]([NH3+])CCC[NH3+])C(C)(C)CCC2(C)C ZINC001219132321 1373688933 /nfs/dbraw/zinc/68/89/33/1373688933.db2.gz KEDAPTWQIDEPRM-OAHLLOKOSA-N 2 0 347.503 3.049 20 0 EGADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001219486734 1373711837 /nfs/dbraw/zinc/71/18/37/1373711837.db2.gz QXVVYTOZVGWXOQ-UXHICEINSA-N 2 0 343.515 3.199 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001221374490 1373771219 /nfs/dbraw/zinc/77/12/19/1373771219.db2.gz MUYRXAGVEXSLKB-ROUUACIJSA-N 2 0 331.504 3.284 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC3CC(C)C3)C[C@H]21 ZINC001221876435 1373800877 /nfs/dbraw/zinc/80/08/77/1373800877.db2.gz BJGFUWGRJNUGJK-NTFDOXNWSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221918520 1373803626 /nfs/dbraw/zinc/80/36/26/1373803626.db2.gz NPXRLFDDJCVEPL-HSALFYBXSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001131821747 1373821927 /nfs/dbraw/zinc/82/19/27/1373821927.db2.gz FBXUZHHBCNPUIF-FQEVSTJZSA-N 2 0 345.531 3.498 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001188325570 1388290856 /nfs/dbraw/zinc/29/08/56/1388290856.db2.gz MMSGWYVBQHPTKN-IWAYRVGRSA-N 2 0 347.503 3.282 20 0 EGADRP COC1CC[NH+](C2(CNC(=[NH2+])Nc3ccccc3C)CCCC2)CC1 ZINC001326905846 1388345482 /nfs/dbraw/zinc/34/54/82/1388345482.db2.gz OTWRNOPUJXZHPR-UHFFFAOYSA-N 2 0 344.503 3.355 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC3CC(C)(C)C3)[C@H]2C1 ZINC001223971808 1375050630 /nfs/dbraw/zinc/05/06/30/1375050630.db2.gz QVOAHUHDLSSPHO-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+]1CCC(CO[C@@H]2CCCN(Cc3cnc(Cl)s3)C2)CC1 ZINC001224453024 1375067944 /nfs/dbraw/zinc/06/79/44/1375067944.db2.gz JCKQEDWWMLLVDE-CQSZACIVSA-N 2 0 343.924 3.119 20 0 EGADRP C[C@@H](C(=O)NCC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001224738993 1375072568 /nfs/dbraw/zinc/07/25/68/1375072568.db2.gz HJYCATCNFOFMRK-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188674005 1388358314 /nfs/dbraw/zinc/35/83/14/1388358314.db2.gz WWLMGOQHBHNPEH-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[NH+]1CCC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225542319 1375122146 /nfs/dbraw/zinc/12/21/46/1375122146.db2.gz KHRXAOKDFUFZEA-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557885 1375124643 /nfs/dbraw/zinc/12/46/43/1375124643.db2.gz UYWZDDVXHVPIMA-ONEGZZNKSA-N 2 0 335.536 3.047 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C)cs1 ZINC001132105346 1375150674 /nfs/dbraw/zinc/15/06/74/1375150674.db2.gz FPQOFGYYFQTRIJ-YOEHRIQHSA-N 2 0 349.544 3.010 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132154063 1375173972 /nfs/dbraw/zinc/17/39/72/1375173972.db2.gz WONXLYPNCPXWMZ-MJGOQNOKSA-N 2 0 345.531 3.194 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@@H+]1CC1CC1 ZINC001132206640 1375209600 /nfs/dbraw/zinc/20/96/00/1375209600.db2.gz MLKXXCWUUBUCLT-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207225 1375209617 /nfs/dbraw/zinc/20/96/17/1375209617.db2.gz RJWJWKCCNLVBBS-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001226162133 1375213799 /nfs/dbraw/zinc/21/37/99/1375213799.db2.gz XABYXMLANWRFSF-RTLRUIJZSA-N 2 0 335.536 3.233 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001327004926 1388364141 /nfs/dbraw/zinc/36/41/41/1388364141.db2.gz NMXSIYLQVLNBOA-UHFFFAOYSA-N 2 0 334.533 3.017 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001226340641 1375243749 /nfs/dbraw/zinc/24/37/49/1375243749.db2.gz GGABVAVRWJMFPS-WJFTUGDTSA-N 2 0 337.552 3.170 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001132273845 1375260311 /nfs/dbraw/zinc/26/03/11/1375260311.db2.gz KVCRBWMZSBBRLM-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277457 1375260810 /nfs/dbraw/zinc/26/08/10/1375260810.db2.gz HGCXRYOUEMWDRN-IEBWSBKVSA-N 2 0 345.531 3.231 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001226553750 1375280808 /nfs/dbraw/zinc/28/08/08/1375280808.db2.gz GHUCXMBHDJBGNY-BRWVUGGUSA-N 2 0 343.531 3.120 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132339313 1375317536 /nfs/dbraw/zinc/31/75/36/1375317536.db2.gz DPNYFWZTWSMKMS-IIMPKJCBSA-N 2 0 335.536 3.044 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]2C)c1 ZINC001132376144 1375338374 /nfs/dbraw/zinc/33/83/74/1375338374.db2.gz KDYVNDYVBCRNTQ-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132377022 1375338803 /nfs/dbraw/zinc/33/88/03/1375338803.db2.gz SOLQWNIPJDOROA-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132435333 1375379421 /nfs/dbraw/zinc/37/94/21/1375379421.db2.gz BUHJTYCIBSRMAJ-FUHWJXTLSA-N 2 0 349.494 3.027 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132435082 1375379790 /nfs/dbraw/zinc/37/97/90/1375379790.db2.gz AXGUCSWTYIVSKI-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001227082648 1375386096 /nfs/dbraw/zinc/38/60/96/1375386096.db2.gz IOYIXGZJYZMLOQ-KURKYZTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@@H+]1CC1CCCC1 ZINC001132492098 1375423829 /nfs/dbraw/zinc/42/38/29/1375423829.db2.gz CEAMGIOCSZEPDH-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521237 1375438022 /nfs/dbraw/zinc/43/80/22/1375438022.db2.gz ABRPLADUWGUCGW-YLJYHZDGSA-N 2 0 345.531 3.058 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132522773 1375439341 /nfs/dbraw/zinc/43/93/41/1375439341.db2.gz SAWABBYIZFUCLW-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001227703465 1375463499 /nfs/dbraw/zinc/46/34/99/1375463499.db2.gz IQSRHVBRHYOLSC-RTBURBONSA-N 2 0 349.563 3.482 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001228064608 1375514198 /nfs/dbraw/zinc/51/41/98/1375514198.db2.gz JOZCFGQXWHEXFV-UHFFFAOYSA-N 2 0 335.536 3.188 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001228112480 1375519071 /nfs/dbraw/zinc/51/90/71/1375519071.db2.gz GDIBVUPYSINLIL-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415592 1375568971 /nfs/dbraw/zinc/56/89/71/1375568971.db2.gz PKZXSUZWWFKZCE-SGSXCFNPSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001228440824 1375572869 /nfs/dbraw/zinc/57/28/69/1375572869.db2.gz PESHHSYUWOXFAV-UHFFFAOYSA-N 2 0 345.531 3.175 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001228595050 1375608025 /nfs/dbraw/zinc/60/80/25/1375608025.db2.gz RFZVDXAQALAGOZ-MISYRCLQSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132936669 1375656134 /nfs/dbraw/zinc/65/61/34/1375656134.db2.gz CXKWLPBMAAUZCC-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](CCC3CCCCCC3)CC2)CC1 ZINC001228888162 1375705368 /nfs/dbraw/zinc/70/53/68/1375705368.db2.gz DBCVPEYCVCBAGZ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001229238220 1375792070 /nfs/dbraw/zinc/79/20/70/1375792070.db2.gz OLOXACUCRFOIPJ-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC)C1 ZINC001133185585 1375829128 /nfs/dbraw/zinc/82/91/28/1375829128.db2.gz FYETWNHDKRLPPO-RBUKOAKNSA-N 2 0 339.568 3.373 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001229458336 1375839719 /nfs/dbraw/zinc/83/97/19/1375839719.db2.gz ILUBBYOFIQXWNU-RTBURBONSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229462147 1375840668 /nfs/dbraw/zinc/84/06/68/1375840668.db2.gz JEEFKFXJVFQWHO-LJQANCHMSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001133263229 1375879165 /nfs/dbraw/zinc/87/91/65/1375879165.db2.gz REAXBWKWJQUYQT-MOPGFXCFSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CC)c1 ZINC001229860271 1375906074 /nfs/dbraw/zinc/90/60/74/1375906074.db2.gz POZXNDBBZMONFH-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001133309499 1375914109 /nfs/dbraw/zinc/91/41/09/1375914109.db2.gz DOEGLQXIDZUFBX-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001133338784 1375930497 /nfs/dbraw/zinc/93/04/97/1375930497.db2.gz YWLWEGKEJSEXGE-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133347584 1375935789 /nfs/dbraw/zinc/93/57/89/1375935789.db2.gz XUBCGPRIOGEUKX-WARJXXDVSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001133361066 1375944723 /nfs/dbraw/zinc/94/47/23/1375944723.db2.gz SERHAGCPGVGAGL-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257405 1375979111 /nfs/dbraw/zinc/97/91/11/1375979111.db2.gz RFARWVMSJZAPEP-IFEVLTCRSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC001230274728 1375980692 /nfs/dbraw/zinc/98/06/92/1375980692.db2.gz IDXZGVVCBHBJSV-ATZDWAIDSA-N 2 0 349.494 3.244 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230334819 1376001021 /nfs/dbraw/zinc/00/10/21/1376001021.db2.gz AEJBYQGJAATRFX-GUDVDZBRSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378011 1376011174 /nfs/dbraw/zinc/01/11/74/1376011174.db2.gz IBFNSUFEQZFGIK-ROUKRRSUSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230506691 1376044389 /nfs/dbraw/zinc/04/43/89/1376044389.db2.gz BTEADRPXYRSHBU-IFXJQAMLSA-N 2 0 336.439 3.435 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230585016 1376086229 /nfs/dbraw/zinc/08/62/29/1376086229.db2.gz VVHXZJBLWTYKNG-INPAECQJSA-N 2 0 347.547 3.140 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230621943 1376105371 /nfs/dbraw/zinc/10/53/71/1376105371.db2.gz JCIAJNXKNJCDLH-XQQSMPNESA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C)[NH+](CC)CC ZINC001133690773 1376157937 /nfs/dbraw/zinc/15/79/37/1376157937.db2.gz VYXGUJYMPNLEOG-PKOBYXMFSA-N 2 0 333.520 3.191 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC001133819761 1376217946 /nfs/dbraw/zinc/21/79/46/1376217946.db2.gz NOWBIVZRZLFJQE-IRXDYDNUSA-N 2 0 331.504 3.061 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001133908529 1376259815 /nfs/dbraw/zinc/25/98/15/1376259815.db2.gz VWXMBWCYFDZKGR-UHFFFAOYSA-N 2 0 347.547 3.069 20 0 EGADRP c1c2c[nH+]ccc2[nH]c1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001232014107 1376381493 /nfs/dbraw/zinc/38/14/93/1376381493.db2.gz KFIGMFINCPCGAD-UWJYYQICSA-N 2 0 332.451 3.269 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134368920 1376496505 /nfs/dbraw/zinc/49/65/05/1376496505.db2.gz CGIYEMWRQXQBCY-JKCVZHOFSA-N 2 0 337.552 3.480 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890145 1376534718 /nfs/dbraw/zinc/53/47/18/1376534718.db2.gz PVYUKNSVYRMIKH-HXUWFJFHSA-N 2 0 325.431 3.415 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001134584738 1376607846 /nfs/dbraw/zinc/60/78/46/1376607846.db2.gz WPKNRHZXWZOQCQ-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134607178 1376622447 /nfs/dbraw/zinc/62/24/47/1376622447.db2.gz FGOSXGYUCAULCH-MSOLQXFVSA-N 2 0 345.531 3.161 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134608402 1376623691 /nfs/dbraw/zinc/62/36/91/1376623691.db2.gz VJUUCHDHKWARJF-ZWKOTPCHSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001327229387 1388454679 /nfs/dbraw/zinc/45/46/79/1388454679.db2.gz KKFBLGYZUVZEOW-GOSISDBHSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728633 1376680821 /nfs/dbraw/zinc/68/08/21/1376680821.db2.gz AUWPOVPZAPCHSW-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729473 1376682474 /nfs/dbraw/zinc/68/24/74/1376682474.db2.gz IPFIQHWLMGLLTJ-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730226 1376683389 /nfs/dbraw/zinc/68/33/89/1376683389.db2.gz USXDGWMWIUBRGZ-PJHKVULZSA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001134780472 1376716748 /nfs/dbraw/zinc/71/67/48/1376716748.db2.gz IPUZBOFNPZACJB-KRWDZBQOSA-N 2 0 345.531 3.309 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892619 1376771220 /nfs/dbraw/zinc/77/12/20/1376771220.db2.gz NTTNTRBVQZXLST-HZPDHXFCSA-N 2 0 330.476 3.401 20 0 EGADRP COc1cccc2[nH]cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC001235428994 1376870899 /nfs/dbraw/zinc/87/08/99/1376870899.db2.gz SJEUMFDTYZHYHJ-HOTGVXAUSA-N 2 0 327.472 3.388 20 0 EGADRP Clc1ccn2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430400 1376871583 /nfs/dbraw/zinc/87/15/83/1376871583.db2.gz XDRRRNFKCYEFHO-CABCVRRESA-N 2 0 332.879 3.199 20 0 EGADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2nccn2c1 ZINC001235431162 1376871844 /nfs/dbraw/zinc/87/18/44/1376871844.db2.gz LGUBLVZJOQPDIM-LSDHHAIUSA-N 2 0 332.879 3.199 20 0 EGADRP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430154 1376872083 /nfs/dbraw/zinc/87/20/83/1376872083.db2.gz FZXQVTNSNBQDJW-SJORKVTESA-N 2 0 332.488 3.306 20 0 EGADRP Clc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c2nccn2c1 ZINC001235703119 1376885258 /nfs/dbraw/zinc/88/52/58/1376885258.db2.gz RSNVIOSWBZTGFH-UHFFFAOYSA-N 2 0 332.879 3.199 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235727661 1376886878 /nfs/dbraw/zinc/88/68/78/1376886878.db2.gz YXXRHHKIJUVPOZ-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235727663 1376887235 /nfs/dbraw/zinc/88/72/35/1376887235.db2.gz YXXRHHKIJUVPOZ-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)(C)c1ccc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)cc1 ZINC001235816787 1376899397 /nfs/dbraw/zinc/89/93/97/1376899397.db2.gz ZXKMSJNPEXOADE-UHFFFAOYSA-N 2 0 329.532 3.244 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102302 1376899805 /nfs/dbraw/zinc/89/98/05/1376899805.db2.gz CBKIXDLAHVORMI-QUCCMNQESA-N 2 0 343.515 3.033 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102816 1376901585 /nfs/dbraw/zinc/90/15/85/1376901585.db2.gz OIJYYEVGMGTCAV-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C1CCCCC1 ZINC001237246099 1376978326 /nfs/dbraw/zinc/97/83/26/1376978326.db2.gz BADZCVWBKWZLTB-PXNSSMCTSA-N 2 0 327.516 3.040 20 0 EGADRP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CC[N@@H+]1C1CCCCC1 ZINC001237246102 1376978412 /nfs/dbraw/zinc/97/84/12/1376978412.db2.gz BAKBERPISBLYPH-HNNXBMFYSA-N 2 0 333.545 3.233 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135297569 1377026139 /nfs/dbraw/zinc/02/61/39/1377026139.db2.gz DRNWCTVCOCGOIP-HOTGVXAUSA-N 2 0 349.519 3.408 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135298098 1377026598 /nfs/dbraw/zinc/02/65/98/1377026598.db2.gz KLWRKTJAZIUDIF-LSDHHAIUSA-N 2 0 335.492 3.018 20 0 EGADRP CCOc1cncc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001242659115 1377026978 /nfs/dbraw/zinc/02/69/78/1377026978.db2.gz FZBFRTACBWZFKK-UHFFFAOYSA-N 2 0 325.456 3.318 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCC[NH+](C)C ZINC001135314696 1377033569 /nfs/dbraw/zinc/03/35/69/1377033569.db2.gz FSEWAJSUUWAMKA-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CCc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135317342 1377034743 /nfs/dbraw/zinc/03/47/43/1377034743.db2.gz XYWCFIJUCDNOMM-ZWKOTPCHSA-N 2 0 347.547 3.006 20 0 EGADRP COc1ccc(Br)cc1CC[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246161184 1377050418 /nfs/dbraw/zinc/05/04/18/1377050418.db2.gz XRDVITDTGNQHBI-AWEZNQCLSA-N 2 0 341.293 3.120 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC[NH2+]1 ZINC001246382217 1377051504 /nfs/dbraw/zinc/05/15/04/1377051504.db2.gz BEJKETUHULRCLH-MSOLQXFVSA-N 2 0 329.488 3.214 20 0 EGADRP Brc1ccc2c(c1)C[C@H]([NH2+]C1(CC3CC3)CC[NH2+]CC1)C2 ZINC001246380988 1377051526 /nfs/dbraw/zinc/05/15/26/1377051526.db2.gz MAGFXQGLWFHCQG-QGZVFWFLSA-N 2 0 349.316 3.428 20 0 EGADRP CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246542719 1377052280 /nfs/dbraw/zinc/05/22/80/1377052280.db2.gz XYFLRZAQJQBDBB-MRXNPFEDSA-N 2 0 338.492 3.325 20 0 EGADRP CC[C@@H]1C[C@@H](N2CC[C@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542649 1377052481 /nfs/dbraw/zinc/05/24/81/1377052481.db2.gz WPFCHHZHVJBBKJ-FZKCQIBNSA-N 2 0 326.481 3.322 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CCN(C4CC[NH2+]CC4)CC3)CC2)cc1 ZINC001246717099 1377053635 /nfs/dbraw/zinc/05/36/35/1377053635.db2.gz VITORRLHAKNCGS-UHFFFAOYSA-N 2 0 341.543 3.425 20 0 EGADRP C(O[C@H]1CCC[C@@H]2C[N@@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@@H]21)C1CC1 ZINC001246747304 1377054367 /nfs/dbraw/zinc/05/43/67/1377054367.db2.gz URNCCWPWJSTYEE-MFRDALKKSA-N 2 0 332.532 3.436 20 0 EGADRP Fc1ccc(CN(C2CC[NH+](CC3CC3)CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246937490 1377055962 /nfs/dbraw/zinc/05/59/62/1377055962.db2.gz PHLXKBNEDDKSSG-NRFANRHFSA-N 2 0 345.506 3.254 20 0 EGADRP Fc1cccc(CN([C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246938754 1377056227 /nfs/dbraw/zinc/05/62/27/1377056227.db2.gz TWGUZZOVNLKZTJ-HBMCJLEFSA-N 3 0 345.506 3.302 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135392018 1377070347 /nfs/dbraw/zinc/07/03/47/1377070347.db2.gz WQYDJIVTEGIKMC-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254510420 1377105112 /nfs/dbraw/zinc/10/51/12/1377105112.db2.gz OBQFBWRIAKTFTD-VAMGGRTRSA-N 3 0 345.531 3.251 20 0 EGADRP CCOc1ccc(NC2CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254528941 1377106599 /nfs/dbraw/zinc/10/65/99/1377106599.db2.gz AZWNPMSBPRGJDQ-IBGZPJMESA-N 2 0 331.504 3.446 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1)[NH2+]CC1=CCCCC1 ZINC001135468071 1377107605 /nfs/dbraw/zinc/10/76/05/1377107605.db2.gz LXRJCEYBYRFCDF-SJORKVTESA-N 2 0 335.536 3.092 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471418 1377108770 /nfs/dbraw/zinc/10/87/70/1377108770.db2.gz MCLWMBCQRRIVPV-QZTJIDSGSA-N 2 0 345.531 3.243 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471461 1377108934 /nfs/dbraw/zinc/10/89/34/1377108934.db2.gz MRJKVVHKCZURGP-DLBZAZTESA-N 2 0 345.531 3.077 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135477270 1377111532 /nfs/dbraw/zinc/11/15/32/1377111532.db2.gz UIDVBCFYOYITSI-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCCCC1 ZINC001135481237 1377113856 /nfs/dbraw/zinc/11/38/56/1377113856.db2.gz RQLBBCBFFYVLEG-SJORKVTESA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481235 1377113955 /nfs/dbraw/zinc/11/39/55/1377113955.db2.gz RQLBBCBFFYVLEG-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614038 1377162329 /nfs/dbraw/zinc/16/23/29/1377162329.db2.gz LIUXUXWQFFOJDE-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614182 1377162343 /nfs/dbraw/zinc/16/23/43/1377162343.db2.gz NOHVVAKWOPRCQZ-IAGOWNOFSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614746 1377162936 /nfs/dbraw/zinc/16/29/36/1377162936.db2.gz ZNVNDIOMTBAQRJ-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135690530 1377184986 /nfs/dbraw/zinc/18/49/86/1377184986.db2.gz IKYUANUDOLVSDK-ZWKOTPCHSA-N 2 0 327.557 3.418 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001135768944 1377206917 /nfs/dbraw/zinc/20/69/17/1377206917.db2.gz VCRYXEPKFMLRBQ-RTBURBONSA-N 2 0 345.531 3.100 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135861922 1377238754 /nfs/dbraw/zinc/23/87/54/1377238754.db2.gz YZEKFGJMGWDEOX-CABCVRRESA-N 2 0 347.494 3.027 20 0 EGADRP CC[C@@H](C(=O)NCC[N@H+](C)Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001266326703 1377273801 /nfs/dbraw/zinc/27/38/01/1377273801.db2.gz IDFMGGGQLFQPOE-FQEVSTJZSA-N 2 0 347.547 3.117 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCCC[NH+](C)C ZINC001135974153 1377283092 /nfs/dbraw/zinc/28/30/92/1377283092.db2.gz JJOGSVWMYJXOFV-ROUUACIJSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCCC[NH+](C)C ZINC001135974152 1377283106 /nfs/dbraw/zinc/28/31/06/1377283106.db2.gz JJOGSVWMYJXOFV-QZTJIDSGSA-N 2 0 337.552 3.482 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135980494 1377286228 /nfs/dbraw/zinc/28/62/28/1377286228.db2.gz PCAVEQJFNWGPFG-IAGOWNOFSA-N 2 0 339.568 3.418 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001135997188 1377292725 /nfs/dbraw/zinc/29/27/25/1377292725.db2.gz ZTDQOWNTIIYCBP-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1 ZINC001136329713 1377378256 /nfs/dbraw/zinc/37/82/56/1377378256.db2.gz LZZLQYFTVUJQRH-AWEZNQCLSA-N 2 0 330.407 3.072 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001267085879 1377411460 /nfs/dbraw/zinc/41/14/60/1377411460.db2.gz KDUYXYWYANTDCS-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001267116491 1377414013 /nfs/dbraw/zinc/41/40/13/1377414013.db2.gz BQWRXCPJZFLFIP-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563689 1377457747 /nfs/dbraw/zinc/45/77/47/1377457747.db2.gz CYYZSQXFABESCA-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001268100684 1377486569 /nfs/dbraw/zinc/48/65/69/1377486569.db2.gz ZIBCHZQPMZVURJ-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CC(=O)Oc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001138044055 1377670233 /nfs/dbraw/zinc/67/02/33/1377670233.db2.gz NNSQYKAZGTWWOW-OALUTQOASA-N 2 0 330.472 3.451 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138313008 1377699853 /nfs/dbraw/zinc/69/98/53/1377699853.db2.gz JQQZEAYABOLVRM-UHFFFAOYSA-N 2 0 344.547 3.391 20 0 EGADRP CCCn1ncc(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)c1C ZINC001138635730 1377758667 /nfs/dbraw/zinc/75/86/67/1377758667.db2.gz JMLJMCJYIIOCQT-UHFFFAOYSA-N 2 0 327.476 3.044 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2c(OC)cccc12 ZINC001138752454 1377780466 /nfs/dbraw/zinc/78/04/66/1377780466.db2.gz GTJBCQANDGJINQ-OAQYLSRUSA-N 2 0 340.467 3.385 20 0 EGADRP C[C@H]1C(=O)CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C12CCCC2 ZINC001138774008 1377782274 /nfs/dbraw/zinc/78/22/74/1377782274.db2.gz WMAYKCPBDMKHHE-KRWDZBQOSA-N 2 0 344.499 3.351 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nn1C ZINC001138830004 1377793287 /nfs/dbraw/zinc/79/32/87/1377793287.db2.gz CMYJFDWROWCYLV-WOJBJXKFSA-N 2 0 338.499 3.073 20 0 EGADRP CN1CCC([N@H+](Cc2ccccc2-n2cncn2)C2CCCC2)CC1 ZINC001139422618 1377881740 /nfs/dbraw/zinc/88/17/40/1377881740.db2.gz MJVUUYIKMPYQLT-UHFFFAOYSA-N 2 0 339.487 3.106 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]21 ZINC001139467188 1377888545 /nfs/dbraw/zinc/88/85/45/1377888545.db2.gz ZUXJHOGSZBMFNU-ZJOUEHCJSA-N 2 0 337.467 3.398 20 0 EGADRP Cn1ncc2cc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001139952677 1377982654 /nfs/dbraw/zinc/98/26/54/1377982654.db2.gz USHAXSSRNSUWLC-OALUTQOASA-N 2 0 326.488 3.412 20 0 EGADRP Cc1cccc(Cl)c1C[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001275634238 1378148824 /nfs/dbraw/zinc/14/88/24/1378148824.db2.gz NOBOJCQSJRDDSJ-UHFFFAOYSA-N 2 0 349.950 3.498 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CC3(C2)CCN(CCCC(F)(F)F)C3)CC1 ZINC001276492379 1378175648 /nfs/dbraw/zinc/17/56/48/1378175648.db2.gz UDXMWYWDDYSJRV-UHFFFAOYSA-N 2 0 347.469 3.069 20 0 EGADRP C[N@@H+]1CCC2(C1)CC[NH+](CC1(c3ccccc3)CCOCC1)CC2 ZINC001276492988 1378175720 /nfs/dbraw/zinc/17/57/20/1378175720.db2.gz FIWRBQHIPCGNNI-UHFFFAOYSA-N 2 0 328.500 3.153 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492495 1378175989 /nfs/dbraw/zinc/17/59/89/1378175989.db2.gz VECZNCMKPLVDGA-NRFANRHFSA-N 2 0 344.547 3.035 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001276576675 1378180227 /nfs/dbraw/zinc/18/02/27/1378180227.db2.gz LOUTZHAYJSHDGH-UHFFFAOYSA-N 2 0 333.495 3.195 20 0 EGADRP Cc1noc(C)c1C[NH+]1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276618105 1378181247 /nfs/dbraw/zinc/18/12/47/1378181247.db2.gz YCMMFKJKLFDKFD-UHFFFAOYSA-N 2 0 342.487 3.498 20 0 EGADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc2sccc21 ZINC001276777411 1378187757 /nfs/dbraw/zinc/18/77/57/1378187757.db2.gz TYZDBWMAUNLWOG-ROUUACIJSA-N 2 0 329.513 3.112 20 0 EGADRP Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001276871840 1378190103 /nfs/dbraw/zinc/19/01/03/1378190103.db2.gz FOLIASCDJZLHJN-FQEVSTJZSA-N 2 0 329.488 3.326 20 0 EGADRP C[N@H+](CCc1cccs1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974228 1378198256 /nfs/dbraw/zinc/19/82/56/1378198256.db2.gz YNXFYZUGACTIDR-UHFFFAOYSA-N 2 0 329.513 3.174 20 0 EGADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@]23CC[N@H+](CCC(C)(C)C)C3)CC1 ZINC001277254602 1378213388 /nfs/dbraw/zinc/21/33/88/1378213388.db2.gz UXVSAUZVELZLKR-GHTZIAJQSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001277647480 1378242816 /nfs/dbraw/zinc/24/28/16/1378242816.db2.gz SDZAFWWWZXEJSP-TVPLGVNVSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)CC1 ZINC001141396368 1378317646 /nfs/dbraw/zinc/31/76/46/1378317646.db2.gz MBQUVNRVKSUQAN-UHFFFAOYSA-N 2 0 348.462 3.246 20 0 EGADRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[NH+]2CCCCCC2)c1C ZINC001141564773 1378345073 /nfs/dbraw/zinc/34/50/73/1378345073.db2.gz LPQFUFDXVWRPDB-UHFFFAOYSA-N 2 0 348.535 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001280770154 1378372134 /nfs/dbraw/zinc/37/21/34/1378372134.db2.gz OACCNBZEMGEDJA-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC001141779424 1378374832 /nfs/dbraw/zinc/37/48/32/1378374832.db2.gz DGBLLUYHLLVYBC-PMACEKPBSA-N 2 0 345.531 3.088 20 0 EGADRP CCC(CC)C[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001280833233 1378384566 /nfs/dbraw/zinc/38/45/66/1378384566.db2.gz VOELIFCPRBJFIY-UHFFFAOYSA-N 2 0 344.503 3.473 20 0 EGADRP COc1cc(C)cc(OC)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001143144419 1378547433 /nfs/dbraw/zinc/54/74/33/1378547433.db2.gz KESBADRYSXOBIR-UHFFFAOYSA-N 2 0 332.488 3.320 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCCC2)CC1 ZINC001282678500 1378552097 /nfs/dbraw/zinc/55/20/97/1378552097.db2.gz UPZUDJFEBIBPOP-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001143790518 1378646436 /nfs/dbraw/zinc/64/64/36/1378646436.db2.gz HLYONDKAQQWMDX-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC3(C2)CCC[N@H+](CCCC(C)(C)C)C3)CCC1 ZINC001282965655 1378689719 /nfs/dbraw/zinc/68/97/19/1378689719.db2.gz UNZSATXWYOWZDJ-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(O)cn1)CC2 ZINC001144259885 1378706523 /nfs/dbraw/zinc/70/65/23/1378706523.db2.gz TXAOKMHUQNLJSJ-IBGZPJMESA-N 2 0 341.455 3.257 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001146535740 1378862806 /nfs/dbraw/zinc/86/28/06/1378862806.db2.gz NVCXFXDOLSUIGV-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001146536890 1378863309 /nfs/dbraw/zinc/86/33/09/1378863309.db2.gz WGOYCRUPNRQPOP-IRXDYDNUSA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001146613165 1378877904 /nfs/dbraw/zinc/87/79/04/1378877904.db2.gz RMCVZMWNMXJCAN-ZWKOTPCHSA-N 2 0 335.536 3.236 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001146711497 1378904841 /nfs/dbraw/zinc/90/48/41/1378904841.db2.gz TZWJRBGBGDTKTK-MRXNPFEDSA-N 2 0 333.520 3.093 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001146727962 1378908277 /nfs/dbraw/zinc/90/82/77/1378908277.db2.gz SOGLFPMXXFKETQ-UHFFFAOYSA-N 2 0 345.531 3.008 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001147359332 1379009157 /nfs/dbraw/zinc/00/91/57/1379009157.db2.gz OTQMOTHHYMSCJY-HXUWFJFHSA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CCC1CCCCC1)c1ccccc1 ZINC001147457030 1379024873 /nfs/dbraw/zinc/02/48/73/1379024873.db2.gz CJGUBJSNPIVWRJ-FQEVSTJZSA-N 2 0 345.531 3.356 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541185 1379039262 /nfs/dbraw/zinc/03/92/62/1379039262.db2.gz LKWNTAXEEDQWQQ-LIXSYLKWSA-N 2 0 347.547 3.140 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985925 1379103381 /nfs/dbraw/zinc/10/33/81/1379103381.db2.gz LLQSUTXCIKAPDU-AATRIKPKSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)(C)C)C3)CC[N@@H+]1C ZINC001148147799 1379125647 /nfs/dbraw/zinc/12/56/47/1379125647.db2.gz ZPZQNUNDMWEGOA-ROUUACIJSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315127 1379149678 /nfs/dbraw/zinc/14/96/78/1379149678.db2.gz CJWPWKDKLIMFBI-CMDGGOBGSA-N 2 0 349.563 3.245 20 0 EGADRP C[N@H+](CC(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)C2)CC(C)(C)C ZINC001148315501 1379150956 /nfs/dbraw/zinc/15/09/56/1379150956.db2.gz MBVUCYRLXKYQSI-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148518836 1379201124 /nfs/dbraw/zinc/20/11/24/1379201124.db2.gz AEIVRJSBMDOXNF-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1CCCCCC1)C2 ZINC001148551501 1379209836 /nfs/dbraw/zinc/20/98/36/1379209836.db2.gz MELREMUSTXQWMT-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590543 1379219909 /nfs/dbraw/zinc/21/99/09/1379219909.db2.gz HWEPDFDCUAMJLL-UHFFFAOYSA-N 2 0 337.552 3.223 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001283904221 1379250180 /nfs/dbraw/zinc/25/01/80/1379250180.db2.gz DZHZAYNJQWJEDW-VQIMIIECSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]([NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C)c1ccccc1 ZINC001284599070 1379999839 /nfs/dbraw/zinc/99/98/39/1379999839.db2.gz RTFVLZVSZHCFFX-FUHWJXTLSA-N 2 0 345.531 3.352 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(F)cc1 ZINC001153727534 1380119541 /nfs/dbraw/zinc/11/95/41/1380119541.db2.gz CILCZPXHHSQUEE-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930553 1380156989 /nfs/dbraw/zinc/15/69/89/1380156989.db2.gz POCBDTBFVDERML-MJGOQNOKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc2ccccc2o1)[NH+](C)C ZINC001153997941 1380174308 /nfs/dbraw/zinc/17/43/08/1380174308.db2.gz FVIXGTPKBSJFPW-CRAIPNDOSA-N 2 0 345.487 3.100 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCCCF)C1 ZINC001154784439 1380350670 /nfs/dbraw/zinc/35/06/70/1380350670.db2.gz FUNKKHWCSOOQDO-QZTJIDSGSA-N 2 0 343.531 3.075 20 0 EGADRP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005463 1380389138 /nfs/dbraw/zinc/38/91/38/1380389138.db2.gz NMNAAZUPGVHWOL-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249009 1380429203 /nfs/dbraw/zinc/42/92/03/1380429203.db2.gz DYPCAPXTMTYCHO-QGZVFWFLSA-N 2 0 333.520 3.031 20 0 EGADRP CO[C@@H](C[NH+]1CCN(c2cc3[nH]ccc3c[nH+]2)CC1)c1ccccc1 ZINC001155706986 1380485377 /nfs/dbraw/zinc/48/53/77/1380485377.db2.gz WVIVHBZRONWHCI-IBGZPJMESA-N 2 0 336.439 3.073 20 0 EGADRP Cc1[nH+]c(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)cc2[nH]ccc21 ZINC001156215960 1380543976 /nfs/dbraw/zinc/54/39/76/1380543976.db2.gz WBZJROKOYMGTOY-UHFFFAOYSA-N 2 0 331.423 3.225 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CC1CCC(C)CC1 ZINC001156517530 1380587001 /nfs/dbraw/zinc/58/70/01/1380587001.db2.gz ZWJGIUTVTGGPMS-JLAWEPINSA-N 2 0 339.568 3.371 20 0 EGADRP [NH3+]Cc1cnc2c(ccn2-c2nc(Cl)ccc2C[NH+]2CCCC2)c1 ZINC001156595129 1380598078 /nfs/dbraw/zinc/59/80/78/1380598078.db2.gz WCHGKVMEWAAAIL-UHFFFAOYSA-N 2 0 341.846 3.128 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001328103320 1388673980 /nfs/dbraw/zinc/67/39/80/1388673980.db2.gz SOXUQGSUZUMJSP-PKOBYXMFSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109687 1380776827 /nfs/dbraw/zinc/77/68/27/1380776827.db2.gz RASZYGIVHNBKAI-BGGMYYEUSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](Cc1ccc(C2CC2)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113421 1380778361 /nfs/dbraw/zinc/77/83/61/1380778361.db2.gz KLKRXWFQFNGCKR-QGZVFWFLSA-N 2 0 345.531 3.231 20 0 EGADRP CC[N@H+](CCCCc1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113826 1380780417 /nfs/dbraw/zinc/78/04/17/1380780417.db2.gz PPZDSMPQOVARHT-LJQANCHMSA-N 2 0 347.547 3.176 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001157894199 1381064281 /nfs/dbraw/zinc/06/42/81/1381064281.db2.gz UXMNCJSUMIKIGN-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCCCC1 ZINC001158028268 1381106863 /nfs/dbraw/zinc/10/68/63/1381106863.db2.gz NOWJEJGZNXDUQX-HXUWFJFHSA-N 2 0 335.536 3.058 20 0 EGADRP CC(C)(C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCCC1 ZINC001158079985 1381122062 /nfs/dbraw/zinc/12/20/62/1381122062.db2.gz WCEZOHYBJAOOJK-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100052 1381127278 /nfs/dbraw/zinc/12/72/78/1381127278.db2.gz VWWOCAISAUSPGA-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480576 1381261841 /nfs/dbraw/zinc/26/18/41/1381261841.db2.gz OHHRRZMBJPSWER-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1nc(Cl)cc(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)c1C ZINC001158581017 1381308497 /nfs/dbraw/zinc/30/84/97/1381308497.db2.gz NBWJCSCPZHVMLV-UHFFFAOYSA-N 2 0 336.911 3.004 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001158781383 1381396003 /nfs/dbraw/zinc/39/60/03/1381396003.db2.gz PISTWPXLKFVZHV-LJQANCHMSA-N 2 0 339.568 3.467 20 0 EGADRP C[N@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872019 1381444883 /nfs/dbraw/zinc/44/48/83/1381444883.db2.gz AVDZGPDTXSDQGV-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[NH+](CC)CC ZINC001158958620 1381486359 /nfs/dbraw/zinc/48/63/59/1381486359.db2.gz WRFKPSYCFVPNIS-IBGZPJMESA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C ZINC001328361428 1388729651 /nfs/dbraw/zinc/72/96/51/1388729651.db2.gz IHGVPVJGJVAUEG-IRXDYDNUSA-N 2 0 325.541 3.027 20 0 EGADRP Cc1ccc2[nH+]c(N)n(-c3ccc(COC4CC[NH2+]CC4)cc3)c2c1 ZINC001159131263 1381638233 /nfs/dbraw/zinc/63/82/33/1381638233.db2.gz IZBLOBAGXHCESK-UHFFFAOYSA-N 2 0 336.439 3.185 20 0 EGADRP CC[NH+](CC)Cc1ccc(F)c(Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC001159140356 1381655891 /nfs/dbraw/zinc/65/58/91/1381655891.db2.gz LEDXBGIRMIPVMZ-UHFFFAOYSA-N 2 0 328.435 3.452 20 0 EGADRP c1c(Nc2ccc(COC3CC[NH2+]CC3)cc2)onc1[C@@H]1CCC[NH2+]1 ZINC001159309953 1381758884 /nfs/dbraw/zinc/75/88/84/1381758884.db2.gz ZUXPMGZZKOTWEI-KRWDZBQOSA-N 2 0 342.443 3.111 20 0 EGADRP [NH3+]Cc1cnccc1Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001159510813 1381813305 /nfs/dbraw/zinc/81/33/05/1381813305.db2.gz RZMQMJKQYBNMJT-UHFFFAOYSA-N 2 0 330.435 3.222 20 0 EGADRP CC(C)(C[NH3+])c1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001159580683 1381835660 /nfs/dbraw/zinc/83/56/60/1381835660.db2.gz VIHDBPKNCGUZQR-UHFFFAOYSA-N 2 0 338.499 3.072 20 0 EGADRP c1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc(N2CC[NH2+]CC2)c1 ZINC001159596700 1381842564 /nfs/dbraw/zinc/84/25/64/1381842564.db2.gz AVSYZAMBNKHTBG-UHFFFAOYSA-N 2 0 336.483 3.307 20 0 EGADRP C[C@H](Nc1cc(OC2CC[NH+](C)CC2)cc[nH+]1)c1cccc(N)c1 ZINC001159639077 1381856539 /nfs/dbraw/zinc/85/65/39/1381856539.db2.gz JTHYZHKWMSXAHA-AWEZNQCLSA-N 2 0 326.444 3.310 20 0 EGADRP Clc1cc(Nc2ccc3c(c2)CC[NH2+]C3)ccc1N1CC[NH2+]CC1 ZINC001159859495 1381923001 /nfs/dbraw/zinc/92/30/01/1381923001.db2.gz VFKZTMBOGYLLNA-UHFFFAOYSA-N 2 0 342.874 3.139 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001159908750 1381934482 /nfs/dbraw/zinc/93/44/82/1381934482.db2.gz JVELLMUQWHRZQN-LPHOPBHVSA-N 2 0 349.494 3.246 20 0 EGADRP c1cc(O[C@H]2CC[NH2+]C2)ccc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001159923550 1381939847 /nfs/dbraw/zinc/93/98/47/1381939847.db2.gz QAIKYQBITOXCPI-ICSRJNTNSA-N 2 0 327.472 3.371 20 0 EGADRP [NH3+][C@@H]1CCN(c2ccc(F)cc2NC2=CC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC001160055531 1381984221 /nfs/dbraw/zinc/98/42/21/1381984221.db2.gz AGTGILWSFANZQR-SJLPKXTDSA-N 2 0 344.478 3.307 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160119473 1382003091 /nfs/dbraw/zinc/00/30/91/1382003091.db2.gz BVJKCIGVOTWXRM-IBGZPJMESA-N 2 0 349.563 3.434 20 0 EGADRP CNc1cc(Nc2c(F)cccc2OCC2CC[NH2+]CC2)cc[nH+]1 ZINC001160162655 1382021468 /nfs/dbraw/zinc/02/14/68/1382021468.db2.gz QBQZQDSJBXETGW-UHFFFAOYSA-N 2 0 330.407 3.384 20 0 EGADRP C[NH+]1CCC(COc2ccc(NC3=CCC[NH2+]CC3)cc2F)CC1 ZINC001160164854 1382022321 /nfs/dbraw/zinc/02/23/21/1382022321.db2.gz QZLXKICZJVYKMD-UHFFFAOYSA-N 2 0 333.451 3.226 20 0 EGADRP C[NH2+]Cc1cccc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)c1F ZINC001160216548 1382036686 /nfs/dbraw/zinc/03/66/86/1382036686.db2.gz DAZUYVIDEBQCFP-KRWDZBQOSA-N 2 0 329.419 3.420 20 0 EGADRP Cc1cc(Nc2cccc(OCC[NH3+])c2)ccc1OC1CC[NH2+]CC1 ZINC001160227923 1382039998 /nfs/dbraw/zinc/03/99/98/1382039998.db2.gz VZLOQVDQBLCEAZ-UHFFFAOYSA-N 2 0 341.455 3.207 20 0 EGADRP COc1ccc2c(Nc3ccccc3CN3CC[NH2+]CC3)cc[nH+]c2c1 ZINC001160296624 1382064811 /nfs/dbraw/zinc/06/48/11/1382064811.db2.gz AEMBLMHDYZJAPD-UHFFFAOYSA-N 2 0 348.450 3.392 20 0 EGADRP C[N@H+](CC(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001160386091 1382090281 /nfs/dbraw/zinc/09/02/81/1382090281.db2.gz HEGSASOIIFVZOF-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP c1cc2c(c(Nc3ccc(C[NH+]4CCCC4)cc3)c1)[C@H]1C[NH2+]C[C@H]1O2 ZINC001160394649 1382092589 /nfs/dbraw/zinc/09/25/89/1382092589.db2.gz LPQOFZHHISQYKK-FXAWDEMLSA-N 2 0 335.451 3.474 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001160499640 1382124056 /nfs/dbraw/zinc/12/40/56/1382124056.db2.gz FVDYYEHCSJNIMW-IBGZPJMESA-N 2 0 347.547 3.045 20 0 EGADRP COC1CCC(CCNc2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001160641614 1382158567 /nfs/dbraw/zinc/15/85/67/1382158567.db2.gz FCGJNPLLNYMKLV-UHFFFAOYSA-N 2 0 332.492 3.016 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870504 1382219735 /nfs/dbraw/zinc/21/97/35/1382219735.db2.gz YJBZSOKXZUNVPK-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP COc1cc2ccc(-n3cc(CC[NH3+])c4c[nH+]ccc43)nc2cc1OC ZINC001160950987 1382249103 /nfs/dbraw/zinc/24/91/03/1382249103.db2.gz YIYVHXOWIFLBAV-UHFFFAOYSA-N 2 0 348.406 3.092 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161021480 1382275405 /nfs/dbraw/zinc/27/54/05/1382275405.db2.gz PSGOSNMOCGSOSX-UHFFFAOYSA-N 2 0 347.503 3.283 20 0 EGADRP CC(C)(C)[C@@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054521 1382284552 /nfs/dbraw/zinc/28/45/52/1382284552.db2.gz CAYAVJUTVVBGOD-OALUTQOASA-N 2 0 343.515 3.015 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001161213897 1382344655 /nfs/dbraw/zinc/34/46/55/1382344655.db2.gz NXAYMVISCRAOHJ-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161259107 1382356282 /nfs/dbraw/zinc/35/62/82/1382356282.db2.gz VZTHNWAKGKKFJH-UHFFFAOYSA-N 2 0 325.541 3.125 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383271 1382392122 /nfs/dbraw/zinc/39/21/22/1382392122.db2.gz OSSDGVSCCKXRFF-MOPGFXCFSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001161496761 1382423164 /nfs/dbraw/zinc/42/31/64/1382423164.db2.gz FBMGGHVFZXRLBC-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001161518934 1382429911 /nfs/dbraw/zinc/42/99/11/1382429911.db2.gz UQTWZKWTLYWQNN-UHFFFAOYSA-N 2 0 349.494 3.075 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001161645163 1382468278 /nfs/dbraw/zinc/46/82/78/1382468278.db2.gz ZQUKWIOBELKCPD-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001161643913 1382468669 /nfs/dbraw/zinc/46/86/69/1382468669.db2.gz DPCANDXNKRMDHY-WOJBJXKFSA-N 2 0 345.531 3.354 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC(C)C)CC1 ZINC001161678338 1382477844 /nfs/dbraw/zinc/47/78/44/1382477844.db2.gz FTGDQPLOMPTOLP-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CCC[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161734101 1382491211 /nfs/dbraw/zinc/49/12/11/1382491211.db2.gz ROQDHYFVKQAWDG-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC(CC)CC)CC1 ZINC001161750094 1382495132 /nfs/dbraw/zinc/49/51/32/1382495132.db2.gz WQKTVQAJHXRVKH-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccccc1C1CC1)c1ccn2c[nH+]cc2c1 ZINC001161872888 1382536388 /nfs/dbraw/zinc/53/63/88/1382536388.db2.gz OVDHXHCYVJLBEP-UHFFFAOYSA-N 2 0 348.450 3.121 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001161952284 1382567651 /nfs/dbraw/zinc/56/76/51/1382567651.db2.gz FPGBZLAGLXJMOC-FQEVSTJZSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1=CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001161952663 1382568876 /nfs/dbraw/zinc/56/88/76/1382568876.db2.gz IDJTYZRAFSTSTB-SFHVURJKSA-N 2 0 343.515 3.226 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001161953326 1382569118 /nfs/dbraw/zinc/56/91/18/1382569118.db2.gz SOARZQOLYHJCNC-FQEVSTJZSA-N 2 0 347.547 3.045 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001328659335 1388799860 /nfs/dbraw/zinc/79/98/60/1388799860.db2.gz GLTNLZVDRNUHBV-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1cc2nc(Cl)cnc2cc1Cl ZINC001162290370 1382722955 /nfs/dbraw/zinc/72/29/55/1382722955.db2.gz QWACEIKTPKBIDV-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC001162290358 1382722993 /nfs/dbraw/zinc/72/29/93/1382722993.db2.gz QETOBZLXAVPQHG-UHFFFAOYSA-N 2 0 349.482 3.427 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001162467512 1382766297 /nfs/dbraw/zinc/76/62/97/1382766297.db2.gz QVMYSUQJIHEIAX-FUHWJXTLSA-N 2 0 331.504 3.003 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2C[C@H]([NH3+])Cc3ccccc32)nc1 ZINC001162844845 1382893023 /nfs/dbraw/zinc/89/30/23/1382893023.db2.gz OLUGZQHRQFANPP-VQIMIIECSA-N 2 0 336.483 3.478 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)nc2ccc(C)cc21 ZINC001163126345 1382971704 /nfs/dbraw/zinc/97/17/04/1382971704.db2.gz QXEYPKQRZVXABJ-UHFFFAOYSA-N 2 0 333.867 3.475 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc2cc(C)c(C)cc2nc1Cl ZINC001163129464 1382972489 /nfs/dbraw/zinc/97/24/89/1382972489.db2.gz YXGIGTVWUUQDMS-UHFFFAOYSA-N 2 0 348.882 3.178 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccccc1 ZINC001163242895 1383003147 /nfs/dbraw/zinc/00/31/47/1383003147.db2.gz OMIGTFQSKBMGFI-VQTJNVASSA-N 2 0 343.515 3.108 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCC1 ZINC001163275125 1383010908 /nfs/dbraw/zinc/01/09/08/1383010908.db2.gz QTDMQQOIGYKMLX-CEXWTWQISA-N 2 0 349.563 3.173 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(N[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3C)[nH+]cc21 ZINC001163366654 1383033149 /nfs/dbraw/zinc/03/31/49/1383033149.db2.gz WAAVFGGLPHZILL-XJKSGUPXSA-N 2 0 344.459 3.270 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001163851382 1383129430 /nfs/dbraw/zinc/12/94/30/1383129430.db2.gz LNRWXNPQKLKUSU-GOSISDBHSA-N 2 0 349.494 3.247 20 0 EGADRP CCCNc1cc(C)[nH+]c(NCc2cccnc2C2CC[NH2+]CC2)n1 ZINC001163905164 1383134702 /nfs/dbraw/zinc/13/47/02/1383134702.db2.gz OBYGLAJZIDHEOV-UHFFFAOYSA-N 2 0 340.475 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cc(C)ccc2C)C1 ZINC001164449930 1383188230 /nfs/dbraw/zinc/18/82/30/1383188230.db2.gz UJNJFCQRBOBUMI-IBGZPJMESA-N 2 0 345.531 3.021 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001164455507 1383188439 /nfs/dbraw/zinc/18/84/39/1383188439.db2.gz CLBFGWCAKLQMSY-WMZOPIPTSA-N 2 0 349.494 3.105 20 0 EGADRP O=C(NCCC[NH2+]CC1=CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491301 1383192845 /nfs/dbraw/zinc/19/28/45/1383192845.db2.gz FPVGXCZEDOODDJ-HXUWFJFHSA-N 2 0 347.547 3.380 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164515157 1383195294 /nfs/dbraw/zinc/19/52/94/1383195294.db2.gz WNXQRVMDCLDRPK-QWNKOJSDSA-N 2 0 335.536 3.092 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164541363 1383197742 /nfs/dbraw/zinc/19/77/42/1383197742.db2.gz ZGNRGJYNVOVJEG-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP CC[NH+](CC)Cc1ccc(Nc2cccnc2N2CC[C@H]([NH3+])C2)cc1 ZINC001165213123 1383249570 /nfs/dbraw/zinc/24/95/70/1383249570.db2.gz KLWWRGSZWSNYHZ-KRWDZBQOSA-N 2 0 339.487 3.204 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001328750277 1388841502 /nfs/dbraw/zinc/84/15/02/1388841502.db2.gz RADMZOUIFWSHKV-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1)C1CC1 ZINC001165485501 1383301383 /nfs/dbraw/zinc/30/13/83/1383301383.db2.gz XWZGWQXKWSZCEX-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC001165776304 1383343653 /nfs/dbraw/zinc/34/36/53/1383343653.db2.gz HOHUUZWLGKBPEH-HKUYNNGSSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001165777787 1383344499 /nfs/dbraw/zinc/34/44/99/1383344499.db2.gz XFTDWPLQJMESLK-KRWDZBQOSA-N 2 0 345.531 3.309 20 0 EGADRP O=C(NCCC1(C[NH2+]Cc2ccccc2)CC1)c1cccc2nccn21 ZINC001166139003 1383394669 /nfs/dbraw/zinc/39/46/69/1383394669.db2.gz XIGXHIVGCPRNNO-UHFFFAOYSA-N 2 0 348.450 3.024 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CC1CCCCCC1)[NH+](CC)CC ZINC001166439654 1383422730 /nfs/dbraw/zinc/42/27/30/1383422730.db2.gz JIQMXLNWXCPPCR-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1)[NH+](CC)CC ZINC001166440345 1383422756 /nfs/dbraw/zinc/42/27/56/1383422756.db2.gz VZPJKNMNPZRJFU-JKSUJKDBSA-N 2 0 347.494 3.028 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)[NH+](CC)CC ZINC001166439053 1383422764 /nfs/dbraw/zinc/42/27/64/1383422764.db2.gz BAXVSAAEGTXUQK-QGZVFWFLSA-N 2 0 339.911 3.056 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1C1CC1)[NH+](CC)CC ZINC001166449070 1383423826 /nfs/dbraw/zinc/42/38/26/1383423826.db2.gz ZZYTZHJAOPISOY-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166544792 1383436347 /nfs/dbraw/zinc/43/63/47/1383436347.db2.gz IUAACUUMYTYCEY-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1c(C)cccc1C ZINC001328779940 1388856722 /nfs/dbraw/zinc/85/67/22/1388856722.db2.gz JAQHDHOZFTYTDX-IBGZPJMESA-N 2 0 345.531 3.068 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001166686696 1383460704 /nfs/dbraw/zinc/46/07/04/1383460704.db2.gz DITJKBBJCQNAJA-UZLBHIALSA-N 2 0 349.494 3.056 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCCC[NH2+]CCCC2CCC2)cc1 ZINC001166736115 1383468373 /nfs/dbraw/zinc/46/83/73/1383468373.db2.gz DUDNLKKWGSQMEW-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001166736974 1383468708 /nfs/dbraw/zinc/46/87/08/1383468708.db2.gz XNAZUCVNTRBIOY-SFHVURJKSA-N 2 0 349.494 3.105 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]CC/C=C\c1ccccc1)CC(C)(C)C ZINC001166744243 1383469861 /nfs/dbraw/zinc/46/98/61/1383469861.db2.gz NIDKFMRHSAAKES-JYRVWZFOSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744417 1383469868 /nfs/dbraw/zinc/46/98/68/1383469868.db2.gz VTMQWJKTZMQUJQ-UHFFFAOYSA-N 2 0 347.547 3.384 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)CC1 ZINC001166869494 1383490219 /nfs/dbraw/zinc/49/02/19/1383490219.db2.gz ADGXSBIIBIICJQ-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP COc1ccccc1[C@@H](C)N(C)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001167108861 1383541492 /nfs/dbraw/zinc/54/14/92/1383541492.db2.gz JANVBTXMUCOBOX-OAHLLOKOSA-N 2 0 340.471 3.215 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385543 1383619327 /nfs/dbraw/zinc/61/93/27/1383619327.db2.gz IJZQQQUXMPWJEO-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167481053 1383647171 /nfs/dbraw/zinc/64/71/71/1383647171.db2.gz YLIRPOAXZQTQRO-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP O[C@]1(C[N@@H+]2CCC3(C2)CCCCC3)CCN(Cc2ccccc2)C1 ZINC001167487484 1383648398 /nfs/dbraw/zinc/64/83/98/1383648398.db2.gz NQHGPPNTVMKTQM-OAQYLSRUSA-N 2 0 328.500 3.280 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167608810 1383688399 /nfs/dbraw/zinc/68/83/99/1383688399.db2.gz JAICUGSNXIAJNQ-IBGZPJMESA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc(F)c1 ZINC001167620930 1383690566 /nfs/dbraw/zinc/69/05/66/1383690566.db2.gz VKUKZNKSLHAKOT-SJORKVTESA-N 2 0 349.494 3.247 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC001167685215 1383709794 /nfs/dbraw/zinc/70/97/94/1383709794.db2.gz IWFMGEJECDTSGM-COXVUDFISA-N 2 0 344.421 3.401 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2c(C)cccc2C)CC1 ZINC001167815304 1383747270 /nfs/dbraw/zinc/74/72/70/1383747270.db2.gz QFTBUWDSRDQXBJ-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167825229 1383750005 /nfs/dbraw/zinc/75/00/05/1383750005.db2.gz ICQIWPGRXDWAMX-SJORKVTESA-N 2 0 341.540 3.344 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001167825381 1383750415 /nfs/dbraw/zinc/75/04/15/1383750415.db2.gz JZASJEVNVTXCBH-IPMKNSEASA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001167834034 1383753199 /nfs/dbraw/zinc/75/31/99/1383753199.db2.gz GWZYESYWTGSMNO-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(OC)c2)C1 ZINC001167836220 1383753988 /nfs/dbraw/zinc/75/39/88/1383753988.db2.gz XTIUZYJFFLAGRD-WMZOPIPTSA-N 2 0 335.492 3.054 20 0 EGADRP CC[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001167880534 1383764361 /nfs/dbraw/zinc/76/43/61/1383764361.db2.gz BWARKVLCUXVGIV-QZTJIDSGSA-N 2 0 333.520 3.184 20 0 EGADRP Cc1cc(C)c(NC(=[NH2+])NCCCC[NH3+])c(C)c1Br ZINC001167881447 1383765308 /nfs/dbraw/zinc/76/53/08/1383765308.db2.gz HAUUAIOJIKVZEH-UHFFFAOYSA-N 2 0 327.270 3.050 20 0 EGADRP COC(=O)c1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982121 1383786654 /nfs/dbraw/zinc/78/66/54/1383786654.db2.gz XNENMANZMRCBQH-YQQQUEKLSA-N 2 0 342.483 3.011 20 0 EGADRP O=c1[nH]c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)ccc2o1 ZINC001167981795 1383787107 /nfs/dbraw/zinc/78/71/07/1383787107.db2.gz KHQWIHOAZBEBNQ-MQVJKMGUSA-N 2 0 327.428 3.028 20 0 EGADRP CC(C)CC(=O)NC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995584 1383791500 /nfs/dbraw/zinc/79/15/00/1383791500.db2.gz JXQFNXAAHAGUFL-YOFSQIOKSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@@H]1CC(n2cc3c(n2)CC[C@H]([NH3+])C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018288 1383797908 /nfs/dbraw/zinc/79/79/08/1383797908.db2.gz CMJWHMKXCBZHGQ-MDZRGWNJSA-N 2 0 338.499 3.313 20 0 EGADRP C[C@@H]1CC([NH2+]CCN2CCC[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024751 1383799382 /nfs/dbraw/zinc/79/93/82/1383799382.db2.gz IOJHPWBFLQEBAQ-QWFCFKBJSA-N 2 0 347.522 3.452 20 0 EGADRP C[C@@H]1CC(N2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053572 1383805363 /nfs/dbraw/zinc/80/53/63/1383805363.db2.gz PEPRNIKMEKYHNU-QWFCFKBJSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]1CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC001168059276 1383807115 /nfs/dbraw/zinc/80/71/15/1383807115.db2.gz DCSZNCPGSKGDSJ-JNSGJOPJSA-N 2 0 329.532 3.452 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059888 1383807190 /nfs/dbraw/zinc/80/71/90/1383807190.db2.gz VSCZCWBTKOGFTG-NPDDRXJXSA-N 2 0 341.543 3.456 20 0 EGADRP COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066614 1383809094 /nfs/dbraw/zinc/80/90/94/1383809094.db2.gz QODKSNHDVUJPBV-SHJAMOMRSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001168065984 1383809872 /nfs/dbraw/zinc/80/98/72/1383809872.db2.gz ZNFCWXOZCNHROY-VRNFHHEUSA-N 2 0 328.500 3.395 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001168142448 1383825831 /nfs/dbraw/zinc/82/58/31/1383825831.db2.gz CTKRSTFCUBDQIM-BVOGOJNSSA-N 2 0 328.500 3.398 20 0 EGADRP C[C@@H](COCc1ccccc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001168175371 1383835158 /nfs/dbraw/zinc/83/51/58/1383835158.db2.gz MCTBTJNDCAZSAY-GOSISDBHSA-N 2 0 325.456 3.057 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC(=O)c2ccc(Br)cc2)CC1 ZINC001168290598 1383864165 /nfs/dbraw/zinc/86/41/65/1383864165.db2.gz QDOHZSBVDYWLNU-UHFFFAOYSA-N 2 0 339.277 3.094 20 0 EGADRP C[C@@H]1[C@H](C[NH2+]C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001168290403 1383864757 /nfs/dbraw/zinc/86/47/57/1383864757.db2.gz JZYWAUPXUHXHJX-XNIRIUNOSA-N 2 0 339.524 3.094 20 0 EGADRP C[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001168314526 1383871767 /nfs/dbraw/zinc/87/17/67/1383871767.db2.gz MJANKJNOSCQLSV-GTPINHCMSA-N 2 0 339.524 3.191 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC001168323019 1383872339 /nfs/dbraw/zinc/87/23/39/1383872339.db2.gz MXGQGGSVZUYOGR-UHFFFAOYSA-N 2 0 335.923 3.330 20 0 EGADRP CCOc1cccc(N2CC[NH+](C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168326956 1383873068 /nfs/dbraw/zinc/87/30/68/1383873068.db2.gz GHKRKPVDKGTNQT-UHFFFAOYSA-N 2 0 331.504 3.080 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1C1CCC([NH+](C)C)CC1 ZINC001168328307 1383874310 /nfs/dbraw/zinc/87/43/10/1383874310.db2.gz DVXJWKYHJOQYSS-NUWOQIAWSA-N 2 0 339.524 3.189 20 0 EGADRP CC(C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168344956 1383879424 /nfs/dbraw/zinc/87/94/24/1383879424.db2.gz HOKXXNBVRBJNHB-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168352691 1383880252 /nfs/dbraw/zinc/88/02/52/1383880252.db2.gz AKRKWEFCXBHFBH-UHFFFAOYSA-N 3 0 341.543 3.363 20 0 EGADRP [NH3+]C1(c2ccc(Cl)cc2)CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168364689 1383884684 /nfs/dbraw/zinc/88/46/84/1383884684.db2.gz GUSFNZGFTXWUBA-UHFFFAOYSA-N 2 0 347.934 3.464 20 0 EGADRP CC(C)N(CC[NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001168369161 1383886696 /nfs/dbraw/zinc/88/66/96/1383886696.db2.gz YECLBYNRNWLXNN-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387724 1383891409 /nfs/dbraw/zinc/89/14/09/1383891409.db2.gz RDNXOTDDDMRPQQ-JOCHJYFZSA-N 2 0 341.543 3.457 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCN(C4CC[NH+](CC5CC5)CC4)[C@@H]3C2)cc1 ZINC001168394800 1383894583 /nfs/dbraw/zinc/89/45/83/1383894583.db2.gz HQBJPJAHTYYDDS-IFMALSPDSA-N 2 0 339.527 3.067 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CCCC2CCCC2)cc1 ZINC001168434039 1383905239 /nfs/dbraw/zinc/90/52/39/1383905239.db2.gz KHPUDFGUBHNKRV-UHFFFAOYSA-N 2 0 345.531 3.428 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001168454965 1383910760 /nfs/dbraw/zinc/91/07/60/1383910760.db2.gz NUWXKGQLRNGZHM-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP CC(C)[N@H+](C)Cc1nn([C@H](C)Cc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001168487715 1383922126 /nfs/dbraw/zinc/92/21/26/1383922126.db2.gz PXRTVOBTTAIHPU-OAHLLOKOSA-N 2 0 344.478 3.312 20 0 EGADRP COc1ccc([C@H]2C[C@H]([NH2+]CCCC[NH+]3CCCC3)CCO2)cc1 ZINC001168582228 1383941896 /nfs/dbraw/zinc/94/18/96/1383941896.db2.gz CVQDTBSZXIHGQD-UYAOXDASSA-N 2 0 332.488 3.381 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001168607203 1383947274 /nfs/dbraw/zinc/94/72/74/1383947274.db2.gz SGVINXOLRPCBLV-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccccc3C[NH3+])CCO2)cc1 ZINC001168609152 1383947652 /nfs/dbraw/zinc/94/76/52/1383947652.db2.gz MVSQIJBAMMYKTF-AZUAARDMSA-N 2 0 326.440 3.164 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH+]3CCC([NH+]4CCCC4)CC3)CCO2)cc1 ZINC001168627874 1383951379 /nfs/dbraw/zinc/95/13/79/1383951379.db2.gz CFRKICJOOGVNRA-CTNGQTDRSA-N 2 0 344.499 3.476 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168666906 1383964863 /nfs/dbraw/zinc/96/48/63/1383964863.db2.gz MJUVPIVIIVYNAL-RXQFDZFGSA-N 2 0 325.541 3.195 20 0 EGADRP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001168710384 1383976092 /nfs/dbraw/zinc/97/60/92/1383976092.db2.gz ZLXYPBYCTJJTHQ-SFHVURJKSA-N 2 0 348.918 3.288 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC001328871418 1388892584 /nfs/dbraw/zinc/89/25/84/1388892584.db2.gz GHVVZJJNKFMGKG-LJQANCHMSA-N 2 0 347.528 3.203 20 0 EGADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307485100 1383997318 /nfs/dbraw/zinc/99/73/18/1383997318.db2.gz CPRSNLHBDMJPQL-IHPCNDPISA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168807248 1384014695 /nfs/dbraw/zinc/01/46/95/1384014695.db2.gz NRJAOZZFUFEADN-HOTGVXAUSA-N 2 0 327.513 3.096 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001169089814 1384105217 /nfs/dbraw/zinc/10/52/17/1384105217.db2.gz GFBWTLRKXJCEOC-LDLYASANSA-N 2 0 331.479 3.005 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001169096220 1384106387 /nfs/dbraw/zinc/10/63/87/1384106387.db2.gz VUOXRKMYPLETEV-WCXIOVBPSA-N 2 0 335.289 3.131 20 0 EGADRP COc1ccc(CC2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCOCC2)cc1 ZINC001169115298 1384109151 /nfs/dbraw/zinc/10/91/51/1384109151.db2.gz IHYQJWNKDOVIHN-LDLYASANSA-N 2 0 344.499 3.002 20 0 EGADRP COCC[N@H+](C)Cc1ccnc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169141502 1384112969 /nfs/dbraw/zinc/11/29/69/1384112969.db2.gz JWKWNKMVRQDLAC-YLJYHZDGSA-N 2 0 348.535 3.115 20 0 EGADRP COC(=O)c1ccc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169144657 1384114132 /nfs/dbraw/zinc/11/41/32/1384114132.db2.gz LLZWTKKDDXTBNF-ACDBMABISA-N 2 0 342.483 3.278 20 0 EGADRP C[N@H+](Cc1ccccc1F)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169152687 1384115629 /nfs/dbraw/zinc/11/56/29/1384115629.db2.gz DHYMRCARFAEOCP-ACDBMABISA-N 2 0 345.506 3.347 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169220442 1384123904 /nfs/dbraw/zinc/12/39/04/1384123904.db2.gz QIYOIPLQAWNDIN-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001169224665 1384124419 /nfs/dbraw/zinc/12/44/19/1384124419.db2.gz JMKZPSOGDDWURA-WOVMCDHWSA-N 2 0 339.524 3.144 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC001169240957 1384126386 /nfs/dbraw/zinc/12/63/86/1384126386.db2.gz NRYPZWQQSXLBHZ-UHFFFAOYSA-N 2 0 334.479 3.239 20 0 EGADRP CC[NH+]1CCC(N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001169240408 1384126454 /nfs/dbraw/zinc/12/64/54/1384126454.db2.gz HOMVKBUCQPQUHJ-UHFFFAOYSA-N 2 0 335.923 3.160 20 0 EGADRP CCN1CCC([N@H+](CC)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169258995 1384128614 /nfs/dbraw/zinc/12/86/14/1384128614.db2.gz XQYHQSOLCPSDQW-UHFFFAOYSA-N 2 0 339.524 3.192 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001169542434 1384157901 /nfs/dbraw/zinc/15/79/01/1384157901.db2.gz VTXWNSQLKHHJAU-ZHALLVOQSA-N 2 0 345.531 3.180 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+][C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001169647276 1384168348 /nfs/dbraw/zinc/16/83/48/1384168348.db2.gz ZJGSMNAEBUPZAB-RTBURBONSA-N 2 0 347.503 3.280 20 0 EGADRP [NH3+]CCc1cn(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c2cccnc12 ZINC001169709573 1384176088 /nfs/dbraw/zinc/17/60/88/1384176088.db2.gz XYNLWUGUQGSQKJ-UHFFFAOYSA-N 2 0 346.478 3.094 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)CC(C)(C)CC[NH3+] ZINC001169749274 1384182275 /nfs/dbraw/zinc/18/22/75/1384182275.db2.gz VETVBDUUCHVSEX-HKUYNNGSSA-N 2 0 345.531 3.282 20 0 EGADRP CC[C@H]1C[C@@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)CCO1 ZINC001170159689 1384251757 /nfs/dbraw/zinc/25/17/57/1384251757.db2.gz BUMLACDOMPDPHV-GJZGRUSLSA-N 2 0 326.506 3.122 20 0 EGADRP CC[C@@H]1CC([N@H+](C)C[C@H](C)C[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170476652 1384327015 /nfs/dbraw/zinc/32/70/15/1384327015.db2.gz ZGJPAVJPMWEPBQ-BZUAXINKSA-N 2 0 341.540 3.470 20 0 EGADRP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)C[C@@H]21 ZINC001170748880 1384377683 /nfs/dbraw/zinc/37/76/83/1384377683.db2.gz AWOOCTRUSXTQFX-LUPIEILUSA-N 2 0 342.531 3.162 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001170784160 1384384714 /nfs/dbraw/zinc/38/47/14/1384384714.db2.gz FNLQOUASTADORL-UYAOXDASSA-N 2 0 345.531 3.498 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CCCOCC3)CC2)c2ccccc2[nH+]1 ZINC001170809480 1384389588 /nfs/dbraw/zinc/38/95/88/1384389588.db2.gz SGDFQAQOOLNTRZ-QGZVFWFLSA-N 2 0 325.456 3.234 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861907 1384400949 /nfs/dbraw/zinc/40/09/49/1384400949.db2.gz HZOGNLBRMIYNPR-QWFCFKBJSA-N 2 0 349.563 3.482 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171069821 1384441073 /nfs/dbraw/zinc/44/10/73/1384441073.db2.gz VSWSGDFYJRNEIJ-DLBZAZTESA-N 2 0 345.547 3.367 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171236579 1384476532 /nfs/dbraw/zinc/47/65/32/1384476532.db2.gz NRVNVUSDARWSJW-ZWKOTPCHSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171248359 1384478321 /nfs/dbraw/zinc/47/83/21/1384478321.db2.gz TUXBQAWLDMEOSW-CFMJQPPZSA-N 2 0 343.943 3.266 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171248945 1384478809 /nfs/dbraw/zinc/47/88/09/1384478809.db2.gz ZFQPEWPFPJJBJA-ROUUACIJSA-N 2 0 325.541 3.314 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001316624787 1384489945 /nfs/dbraw/zinc/48/99/45/1384489945.db2.gz OJXVOZGFAXAQRL-INDMIFKZSA-N 2 0 337.552 3.027 20 0 EGADRP [NH3+]Cc1ccc2cn(-c3ccc4c(c3)C3(CC4)CC[NH2+]CC3)nc2c1 ZINC001171321892 1384494419 /nfs/dbraw/zinc/49/44/19/1384494419.db2.gz OMOGSRRRXWCGNK-UHFFFAOYSA-N 2 0 332.451 3.052 20 0 EGADRP CC[NH+](CC)Cc1cccc(-n2cc3ccc(C[NH3+])cc3n2)c1F ZINC001171329331 1384495715 /nfs/dbraw/zinc/49/57/15/1384495715.db2.gz YJIXYRJEVQYLLN-UHFFFAOYSA-N 2 0 326.419 3.465 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171360130 1384501790 /nfs/dbraw/zinc/50/17/90/1384501790.db2.gz WMFAQSZYAXKMPA-MSOLQXFVSA-N 2 0 327.557 3.418 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171505860 1384545133 /nfs/dbraw/zinc/54/51/33/1384545133.db2.gz NHBMSJATEKUDJC-OCCSQVGLSA-N 2 0 326.406 3.283 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508579 1384545672 /nfs/dbraw/zinc/54/56/72/1384545672.db2.gz GFTGMLAYHJAVCN-GOSISDBHSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171537783 1384555261 /nfs/dbraw/zinc/55/52/61/1384555261.db2.gz HJNHPMIBQKQJQE-APWZRJJASA-N 2 0 349.494 3.075 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171537427 1384555560 /nfs/dbraw/zinc/55/55/60/1384555560.db2.gz CFHBETSSSVHWSC-OXUXSNCKSA-N 2 0 337.552 3.482 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171538189 1384556297 /nfs/dbraw/zinc/55/62/97/1384556297.db2.gz KRAZJIOCDYHGGM-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554622 1384560864 /nfs/dbraw/zinc/56/08/64/1384560864.db2.gz KYOUHYIOXLOOSF-IBGZPJMESA-N 2 0 339.483 3.447 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC001171579273 1384570459 /nfs/dbraw/zinc/57/04/59/1384570459.db2.gz SJDXTKTUVDLBAU-KRWDZBQOSA-N 2 0 345.531 3.064 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1ccc(F)cc1 ZINC001171578907 1384570594 /nfs/dbraw/zinc/57/05/94/1384570594.db2.gz LRZRCCSWYQSPPH-GOSISDBHSA-N 2 0 337.483 3.105 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001171586299 1384572282 /nfs/dbraw/zinc/57/22/82/1384572282.db2.gz LFCFQBHJDKWPHJ-SFHVURJKSA-N 2 0 347.547 3.490 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171586011 1384572430 /nfs/dbraw/zinc/57/24/30/1384572430.db2.gz HCGIBPCENNCUBO-QGZVFWFLSA-N 2 0 333.520 3.182 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001171585245 1384572719 /nfs/dbraw/zinc/57/27/19/1384572719.db2.gz NVPRKXXCGSQLDU-HNNXBMFYSA-N 2 0 339.911 3.229 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618135 1384580924 /nfs/dbraw/zinc/58/09/24/1384580924.db2.gz FQBFYJINLCVXBD-INIZCTEOSA-N 2 0 325.541 3.314 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618649 1384581815 /nfs/dbraw/zinc/58/18/15/1384581815.db2.gz LSYOMGVDHMOXIG-INIZCTEOSA-N 2 0 337.552 3.314 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CC2CN(Cc3ccccc3)C2)CC1(C)C ZINC001171619572 1384582169 /nfs/dbraw/zinc/58/21/69/1384582169.db2.gz PPAOUVLJZNUYAA-UHFFFAOYSA-N 2 0 329.532 3.359 20 0 EGADRP COC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637719 1384587596 /nfs/dbraw/zinc/58/75/96/1384587596.db2.gz NDWHWCDFTKNRQQ-XLIONFOSSA-N 2 0 338.536 3.155 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC1(C)C ZINC001171635074 1384588315 /nfs/dbraw/zinc/58/83/15/1384588315.db2.gz MRVZXRGNTIUPNV-ROUUACIJSA-N 2 0 347.547 3.113 20 0 EGADRP Cc1cccnc1O[C@@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641902 1384589445 /nfs/dbraw/zinc/58/94/45/1384589445.db2.gz VNUHMVSARRCLRQ-QGZVFWFLSA-N 2 0 331.504 3.495 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646763 1384591989 /nfs/dbraw/zinc/59/19/89/1384591989.db2.gz PHIFWAZHCXLQKE-OALUTQOASA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646754 1384592140 /nfs/dbraw/zinc/59/21/40/1384592140.db2.gz PBTFCUMUWZUPHX-QZTJIDSGSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171675081 1384598696 /nfs/dbraw/zinc/59/86/96/1384598696.db2.gz XIFVAZYRLLFHHE-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC001171731393 1384617174 /nfs/dbraw/zinc/61/71/74/1384617174.db2.gz AINPHKQRZLKPOK-BVJIBDCISA-N 2 0 327.516 3.254 20 0 EGADRP C[C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171732590 1384618629 /nfs/dbraw/zinc/61/86/29/1384618629.db2.gz CRIWNUFLTWMIHM-UWJYYQICSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@H]1C[C@@H](N(CC[NH3+])c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171739213 1384620490 /nfs/dbraw/zinc/62/04/90/1384620490.db2.gz PLLASLHDHLPAOO-OXJNMPFZSA-N 2 0 327.447 3.254 20 0 EGADRP C[C@H]1C[C@H](N2CCC([NH+](C)C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171758694 1384626911 /nfs/dbraw/zinc/62/69/11/1384626911.db2.gz AFOXMZDGGXQOIN-UWJYYQICSA-N 2 0 327.516 3.208 20 0 EGADRP CCCCC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171761334 1384627420 /nfs/dbraw/zinc/62/74/20/1384627420.db2.gz CZAOOPFZELUQDT-TZIWHRDSSA-N 2 0 329.532 3.457 20 0 EGADRP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171810685 1384646048 /nfs/dbraw/zinc/64/60/48/1384646048.db2.gz BBPGLLUZQASMFU-MRXNPFEDSA-N 2 0 348.466 3.352 20 0 EGADRP CC1(C)C[C@@H](NCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964608 1384697670 /nfs/dbraw/zinc/69/76/70/1384697670.db2.gz GVFOIVKPLFNJRZ-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967605 1384698542 /nfs/dbraw/zinc/69/85/42/1384698542.db2.gz MLYYHUBQAVTBCJ-LJQANCHMSA-N 3 0 326.488 3.224 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCN2CCC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974571 1384701141 /nfs/dbraw/zinc/70/11/41/1384701141.db2.gz HPCBTUJTIHYVOY-UXHICEINSA-N 2 0 347.522 3.453 20 0 EGADRP C[N@@H+]1C[C@@H]2CCCN([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171985983 1384703925 /nfs/dbraw/zinc/70/39/25/1384703925.db2.gz DWKMLODEDUQBTD-PWRODBHTSA-N 2 0 341.543 3.456 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001316948760 1384720996 /nfs/dbraw/zinc/72/09/96/1384720996.db2.gz VPDXLVACMKQBRL-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+](C4CC4)CC2)C3)cc1 ZINC001172080054 1384721511 /nfs/dbraw/zinc/72/15/11/1384721511.db2.gz SLCMBISTOYGUJS-ZBYYUNFXSA-N 2 0 339.527 3.352 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](Nc1c(Br)cccc1C[NH3+])C2 ZINC001172110521 1384730258 /nfs/dbraw/zinc/73/02/58/1384730258.db2.gz OCAAJBGAOUCUFZ-BTTYYORXSA-N 2 0 338.293 3.335 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172127116 1384735754 /nfs/dbraw/zinc/73/57/54/1384735754.db2.gz GXQSPBNAIFUHPK-LXHROKJGSA-N 2 0 339.527 3.208 20 0 EGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127359 1384736377 /nfs/dbraw/zinc/73/63/77/1384736377.db2.gz IPYOTYDJGJFEHO-CZYKHXBRSA-N 2 0 341.543 3.456 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172210185 1384749955 /nfs/dbraw/zinc/74/99/55/1384749955.db2.gz VUBHWQOPQHVKTD-KRWDZBQOSA-N 2 0 325.481 3.229 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H](C)CCO[C@@H](C)CC)CC1 ZINC001172352810 1384775635 /nfs/dbraw/zinc/77/56/35/1384775635.db2.gz JXHGZJQGQRDPEN-PMACEKPBSA-N 2 0 341.584 3.320 20 0 EGADRP CC(C)COCC[C@@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172471031 1384799853 /nfs/dbraw/zinc/79/98/53/1384799853.db2.gz ISQIETCYLAMGBH-KZNAEPCWSA-N 2 0 326.525 3.189 20 0 EGADRP CCCC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172630014 1384822677 /nfs/dbraw/zinc/82/26/77/1384822677.db2.gz BTTZYGQXVKJFEK-LUKYLMHMSA-N 2 0 339.524 3.414 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172659485 1384828395 /nfs/dbraw/zinc/82/83/95/1384828395.db2.gz YNBVXIWHABBWIQ-UHFFFAOYSA-N 2 0 339.568 3.072 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665806 1384829676 /nfs/dbraw/zinc/82/96/76/1384829676.db2.gz NXBLWAAKADYTFY-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172757175 1384845547 /nfs/dbraw/zinc/84/55/47/1384845547.db2.gz UIIRYVWYNZCVGG-PKOBYXMFSA-N 2 0 332.488 3.218 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001172767449 1384847306 /nfs/dbraw/zinc/84/73/06/1384847306.db2.gz GKELDNTUHVPFLC-QRVBRYPASA-N 2 0 332.488 3.391 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001172771437 1384848117 /nfs/dbraw/zinc/84/81/17/1384848117.db2.gz VDCMZJXTBBZDGI-VQTJNVASSA-N 2 0 344.499 3.494 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001172779748 1384850459 /nfs/dbraw/zinc/85/04/59/1384850459.db2.gz HBHXQTHCBMMUOK-AEFFLSMTSA-N 2 0 330.472 3.058 20 0 EGADRP C[NH+](C)CCCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172799781 1384854517 /nfs/dbraw/zinc/85/45/17/1384854517.db2.gz ABCWCIPZRWRBAL-ALOPSCKCSA-N 2 0 337.508 3.014 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([N@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001172804011 1384855865 /nfs/dbraw/zinc/85/58/65/1384855865.db2.gz RRXBPUUJUUUWSU-AEFFLSMTSA-N 2 0 336.520 3.447 20 0 EGADRP OCC[NH+]1CCC(C[NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172818870 1384857949 /nfs/dbraw/zinc/85/79/49/1384857949.db2.gz VQRVDLGTHMYBOT-UHFFFAOYSA-N 2 0 330.516 3.082 20 0 EGADRP Cc1ccc2c(c1)C[C@@H](N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC001172832493 1384861645 /nfs/dbraw/zinc/86/16/45/1384861645.db2.gz WVNHINHATLJIBI-NRFANRHFSA-N 2 0 331.548 3.058 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075358 1384908301 /nfs/dbraw/zinc/90/83/01/1384908301.db2.gz KOSUPEAMDCSLOS-CVEARBPZSA-N 2 0 327.513 3.048 20 0 EGADRP CCCOC1CCC([NH+]2CCC([N@H+](CC)[C@H]3CCOC3)CC2)CC1 ZINC001173099433 1384914337 /nfs/dbraw/zinc/91/43/37/1384914337.db2.gz CPKVJJMOUDAIJC-SYYJFZTOSA-N 2 0 338.536 3.299 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc(N(C)C(C)=O)c2)CC1 ZINC001173104729 1384915532 /nfs/dbraw/zinc/91/55/32/1384915532.db2.gz MJCLRVRYXZPDMC-UHFFFAOYSA-N 2 0 331.504 3.412 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC1 ZINC001173107285 1384916523 /nfs/dbraw/zinc/91/65/23/1384916523.db2.gz NGSFIJRCCRYKSH-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CCOCc1ncn2c1C[N@@H+](C1CCC([NH+](CC)CC)CC1)CCC2 ZINC001173110937 1384916949 /nfs/dbraw/zinc/91/69/49/1384916949.db2.gz PISGEKTZOCMJSL-UHFFFAOYSA-N 2 0 348.535 3.278 20 0 EGADRP CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001173254316 1384945320 /nfs/dbraw/zinc/94/53/20/1384945320.db2.gz FOYZBMYJXKAZTI-FYQPLNBISA-N 2 0 347.551 3.278 20 0 EGADRP COC(=O)CCCC[C@@H](C)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173443481 1384971104 /nfs/dbraw/zinc/97/11/04/1384971104.db2.gz QPHYJQQZMZJADH-BHIYHBOVSA-N 2 0 347.503 3.275 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173455610 1384974318 /nfs/dbraw/zinc/97/43/18/1384974318.db2.gz RFNPPBCWIYRSDG-IHPCNDPISA-N 2 0 344.499 3.172 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)C1 ZINC001173630596 1384992310 /nfs/dbraw/zinc/99/23/10/1384992310.db2.gz AANDFDNPTKEERN-AEFFLSMTSA-N 2 0 330.472 3.058 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)C1 ZINC001173634701 1384993659 /nfs/dbraw/zinc/99/36/59/1384993659.db2.gz RBXIICIJCVHSHA-ROUUACIJSA-N 2 0 338.536 3.456 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173667792 1385000634 /nfs/dbraw/zinc/00/06/34/1385000634.db2.gz VLSWGEVFENIRCL-CTYIDZIISA-N 2 0 333.442 3.138 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001173708425 1385006045 /nfs/dbraw/zinc/00/60/45/1385006045.db2.gz HYINVPHRPQIAFY-FGTMMUONSA-N 2 0 346.515 3.362 20 0 EGADRP C[NH+](C)Cc1ccccc1-n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001173929145 1385032382 /nfs/dbraw/zinc/03/23/82/1385032382.db2.gz XDEYUJMYVICIHX-UHFFFAOYSA-N 2 0 336.414 3.407 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001317448471 1385148657 /nfs/dbraw/zinc/14/86/57/1385148657.db2.gz MWSYUBBZABCRAS-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001174927262 1385170973 /nfs/dbraw/zinc/17/09/73/1385170973.db2.gz CALIKJYHRHBZAZ-INIZCTEOSA-N 2 0 349.519 3.410 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174927244 1385170978 /nfs/dbraw/zinc/17/09/78/1385170978.db2.gz BYMPYSLNWPBURF-INIZCTEOSA-N 2 0 337.508 3.266 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174929682 1385171186 /nfs/dbraw/zinc/17/11/86/1385171186.db2.gz SKGRFVJFCXDDPH-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949021 1385173109 /nfs/dbraw/zinc/17/31/09/1385173109.db2.gz OTIJVMPADUCGBK-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H]1CCc2c1cccc2F)NC(=O)CC[NH+](C)C ZINC001175048062 1385186174 /nfs/dbraw/zinc/18/61/74/1385186174.db2.gz FSEHKTFYXFYYEQ-HNAYVOBHSA-N 2 0 349.494 3.029 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175107801 1385196064 /nfs/dbraw/zinc/19/60/64/1385196064.db2.gz QAMHLDHMGNRPIB-MHEJJFAZSA-N 2 0 325.541 3.194 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)[NH+](CC)CC ZINC001175218536 1385223736 /nfs/dbraw/zinc/22/37/36/1385223736.db2.gz SPVVAKZCTALDHL-ROUUACIJSA-N 2 0 327.557 3.418 20 0 EGADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@H](O)Cc2ccccc2)CC1 ZINC001175352696 1385263589 /nfs/dbraw/zinc/26/35/89/1385263589.db2.gz QQLMDZGZVNOOJJ-NHCUHLMSSA-N 2 0 330.516 3.176 20 0 EGADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001175574044 1385336338 /nfs/dbraw/zinc/33/63/38/1385336338.db2.gz SYNULKKFLPCQDT-RIDHJDLKSA-N 2 0 343.943 3.266 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001175747816 1385394627 /nfs/dbraw/zinc/39/46/27/1385394627.db2.gz UHLFHAIMUVTJGE-ROUUACIJSA-N 2 0 327.557 3.418 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001175769395 1385399777 /nfs/dbraw/zinc/39/97/77/1385399777.db2.gz RUWPTCNBGPILDD-LJQANCHMSA-N 2 0 347.547 3.144 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001175786360 1385405620 /nfs/dbraw/zinc/40/56/20/1385405620.db2.gz JVFTZRAZVKTBGG-MSOLQXFVSA-N 2 0 333.520 3.354 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001175786121 1385405760 /nfs/dbraw/zinc/40/57/60/1385405760.db2.gz GNKJPEPTNOFSDC-HZPDHXFCSA-N 2 0 347.494 3.028 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001175787280 1385405879 /nfs/dbraw/zinc/40/58/79/1385405879.db2.gz TVNBVFWNBPKJIU-ZWKOTPCHSA-N 2 0 327.557 3.275 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175872417 1385427235 /nfs/dbraw/zinc/42/72/35/1385427235.db2.gz HNPWGNARFPVZAY-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176023851 1385464039 /nfs/dbraw/zinc/46/40/39/1385464039.db2.gz KDTCHKFEYNDMGB-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112632 1385487791 /nfs/dbraw/zinc/48/77/91/1385487791.db2.gz XCZGGUQYLASMRV-XLIONFOSSA-N 2 0 333.520 3.138 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120140 1385489370 /nfs/dbraw/zinc/48/93/70/1385489370.db2.gz JLQVFVAQUJYNAQ-PKOBYXMFSA-N 2 0 333.520 3.354 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176167436 1385501098 /nfs/dbraw/zinc/50/10/98/1385501098.db2.gz ZLIDVJZBWQTWSC-QUCCMNQESA-N 2 0 349.563 3.483 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231837 1385522164 /nfs/dbraw/zinc/52/21/64/1385522164.db2.gz XRKOMSKQDTYHCP-IBGZPJMESA-N 2 0 347.547 3.492 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176268979 1385532589 /nfs/dbraw/zinc/53/25/89/1385532589.db2.gz OZCLQDPPVCXKAS-GOSISDBHSA-N 2 0 333.520 3.183 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001176285739 1385538631 /nfs/dbraw/zinc/53/86/31/1385538631.db2.gz QIEGTSKIVICZEW-CNZFZVQHSA-N 2 0 325.541 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176283927 1385538808 /nfs/dbraw/zinc/53/88/08/1385538808.db2.gz AZDGSSYRZBHGJC-SFHVURJKSA-N 2 0 337.552 3.483 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001176286121 1385540068 /nfs/dbraw/zinc/54/00/68/1385540068.db2.gz UHXROAQATJVJKX-HNNXBMFYSA-N 2 0 339.549 3.163 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001176319186 1385550337 /nfs/dbraw/zinc/55/03/37/1385550337.db2.gz SIGUNQJCDBWGOC-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1)CC(C)(C)C ZINC001317984494 1385598965 /nfs/dbraw/zinc/59/89/65/1385598965.db2.gz CWDVUZYZWJZDDX-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001176563139 1385625318 /nfs/dbraw/zinc/62/53/18/1385625318.db2.gz BCTBPOLDHQMLFD-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564135 1385626652 /nfs/dbraw/zinc/62/66/52/1385626652.db2.gz LWMXLKCPDFYUAX-IAGOWNOFSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001176572553 1385629298 /nfs/dbraw/zinc/62/92/98/1385629298.db2.gz BDUCUIIAXYVQHB-PMTSLALWSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574507 1385629417 /nfs/dbraw/zinc/62/94/17/1385629417.db2.gz SLBBHQCRHSMHKZ-RTBURBONSA-N 2 0 345.531 3.416 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001176986406 1385765022 /nfs/dbraw/zinc/76/50/22/1385765022.db2.gz NDBSYHBSXKQVSG-QGZVFWFLSA-N 2 0 341.499 3.337 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176996814 1385768511 /nfs/dbraw/zinc/76/85/11/1385768511.db2.gz FOVGWVFHRNKTCT-GOSISDBHSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)[NH+]1CCCC1 ZINC001176998861 1385769213 /nfs/dbraw/zinc/76/92/13/1385769213.db2.gz ITIPRBALUWZDLF-CTWPCTMYSA-N 2 0 337.552 3.029 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001318960007 1385898659 /nfs/dbraw/zinc/89/86/59/1385898659.db2.gz XWRNKHAPLOKRGJ-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177330991 1385916813 /nfs/dbraw/zinc/91/68/13/1385916813.db2.gz VZNDDYZGFHUXOW-GOSISDBHSA-N 2 0 343.531 3.073 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)c1cccc(F)c1 ZINC001177336761 1385918726 /nfs/dbraw/zinc/91/87/26/1385918726.db2.gz WECSEOFRGIEBIJ-QGZVFWFLSA-N 2 0 349.494 3.249 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)c1ccccc1 ZINC001177336566 1385919051 /nfs/dbraw/zinc/91/90/51/1385919051.db2.gz MIOKFAJPRUTBPW-GOSISDBHSA-N 2 0 331.504 3.110 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001319032101 1385937976 /nfs/dbraw/zinc/93/79/76/1385937976.db2.gz UXYGFZPNFAGVOE-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001177440146 1385957234 /nfs/dbraw/zinc/95/72/34/1385957234.db2.gz AFFBSYMLVZIBEC-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001177440155 1385957669 /nfs/dbraw/zinc/95/76/69/1385957669.db2.gz BDRRQTRDTRHHPW-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+](CC)CC ZINC001177445692 1385959142 /nfs/dbraw/zinc/95/91/42/1385959142.db2.gz PNWRIDASDVPXRR-SFHVURJKSA-N 2 0 339.568 3.373 20 0 EGADRP CC[NH+](CC)CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177446199 1385959334 /nfs/dbraw/zinc/95/93/34/1385959334.db2.gz XKERLNSBPTVCBP-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001319353545 1386075918 /nfs/dbraw/zinc/07/59/18/1386075918.db2.gz NIPWPNRWOVYJSZ-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CCCC1)[NH+](C)C ZINC001319384905 1386094713 /nfs/dbraw/zinc/09/47/13/1386094713.db2.gz FSCSYGWLKMEHIL-XGCMIMOYSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC001178171132 1386148723 /nfs/dbraw/zinc/14/87/23/1386148723.db2.gz PKEUBMFVEKJVTG-NHCUHLMSSA-N 2 0 330.516 3.353 20 0 EGADRP CC1CC(C[NH2+]C[C@H](NC(=O)C[N@H+](C)C2CCC2)C2CCCCC2)C1 ZINC001319655114 1386235777 /nfs/dbraw/zinc/23/57/77/1386235777.db2.gz IZZCNTUQSHMKRN-UHYCVJNDSA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178526803 1386241018 /nfs/dbraw/zinc/24/10/18/1386241018.db2.gz CSOPKWGYLWTFHS-HMTUNPETSA-N 2 0 337.552 3.339 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698220 1386281649 /nfs/dbraw/zinc/28/16/49/1386281649.db2.gz BXOXXYKOHLPMRP-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001178702371 1386283050 /nfs/dbraw/zinc/28/30/50/1386283050.db2.gz MWBPTJJXIWLSQG-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178833419 1386322324 /nfs/dbraw/zinc/32/23/24/1386322324.db2.gz VHLBFCAHAPUKEJ-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001178832789 1386322577 /nfs/dbraw/zinc/32/25/77/1386322577.db2.gz KZXFVQLQAZNLLG-AZUAARDMSA-N 2 0 345.531 3.498 20 0 EGADRP Cc1c(C[NH2+]CCC2CC[NH+](C)CC2)sc2nc(C)nc(C)c12 ZINC001319837853 1386328098 /nfs/dbraw/zinc/32/80/98/1386328098.db2.gz YOEMGGNMLHFJDW-UHFFFAOYSA-N 2 0 332.517 3.438 20 0 EGADRP CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178891390 1386340458 /nfs/dbraw/zinc/34/04/58/1386340458.db2.gz QYZOHWPSYUVHQG-OTWHNJEPSA-N 2 0 337.552 3.409 20 0 EGADRP CC[C@@H](C)C[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001319879560 1386355515 /nfs/dbraw/zinc/35/55/15/1386355515.db2.gz HMAYTEZAFYNVEE-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001319904478 1386379546 /nfs/dbraw/zinc/37/95/46/1386379546.db2.gz GOFAUTAIZQBDIK-IKGGRYGDSA-N 2 0 339.524 3.001 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]CCCC(C)C)[C@@H]2C)ccc2c[nH+]cn21 ZINC001179032972 1386383136 /nfs/dbraw/zinc/38/31/36/1386383136.db2.gz VCWDXPYINGEPOV-LPHOPBHVSA-N 2 0 342.487 3.272 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179078993 1386393973 /nfs/dbraw/zinc/39/39/73/1386393973.db2.gz BMJSLLRQEKKGDE-GJYPPUQNSA-N 2 0 342.487 3.209 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234794 1386428155 /nfs/dbraw/zinc/42/81/55/1386428155.db2.gz ZVTLDYUAXCHZGT-HYGDWFSYSA-N 2 0 347.547 3.186 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C1 ZINC001179357861 1386462260 /nfs/dbraw/zinc/46/22/60/1386462260.db2.gz NYUSVPQCZPQFKD-PXAMLJHWSA-N 2 0 343.943 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](C)CC)C1 ZINC001179357849 1386462743 /nfs/dbraw/zinc/46/27/43/1386462743.db2.gz NJNCHZHANVZLMZ-OALUTQOASA-N 2 0 339.568 3.421 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C1 ZINC001179357862 1386462815 /nfs/dbraw/zinc/46/28/15/1386462815.db2.gz NYUSVPQCZPQFKD-SECOEOQKSA-N 2 0 343.943 3.127 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001179392257 1386473114 /nfs/dbraw/zinc/47/31/14/1386473114.db2.gz ADSZKXDDPJVKKS-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001179435135 1386483422 /nfs/dbraw/zinc/48/34/22/1386483422.db2.gz KKMBPWOLZOSCRK-PXNSSMCTSA-N 2 0 345.531 3.231 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001179461484 1386487784 /nfs/dbraw/zinc/48/77/84/1386487784.db2.gz MFMOUCZIQIHREE-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461747 1386488040 /nfs/dbraw/zinc/48/80/40/1386488040.db2.gz ZVHUTXRQLWYWAP-GOSISDBHSA-N 2 0 339.568 3.277 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C)C1 ZINC001179464367 1386488706 /nfs/dbraw/zinc/48/87/06/1386488706.db2.gz SKVKBAKFHABISR-MOPGFXCFSA-N 2 0 339.568 3.421 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179499633 1386499646 /nfs/dbraw/zinc/49/96/46/1386499646.db2.gz YXKAPIJATHJIBQ-GOSISDBHSA-N 2 0 327.557 3.419 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCC(C)(C)C)C2)CCC1 ZINC001320103436 1386514612 /nfs/dbraw/zinc/51/46/12/1386514612.db2.gz KMVURBYXAJEFBR-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179580251 1386521836 /nfs/dbraw/zinc/52/18/36/1386521836.db2.gz AVMNXSRQPFTRBF-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CC1CCC1)CC(C)(C)C ZINC001179592593 1386526572 /nfs/dbraw/zinc/52/65/72/1386526572.db2.gz IZHAKTAWDQXEDZ-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001179719816 1386564336 /nfs/dbraw/zinc/56/43/36/1386564336.db2.gz PNBSTBMNMTXWJZ-LPHOPBHVSA-N 2 0 345.531 3.377 20 0 EGADRP O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179792607 1386588305 /nfs/dbraw/zinc/58/83/05/1386588305.db2.gz TWFMBNUEXUMYTJ-YZBXERDGSA-N 2 0 341.927 3.022 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CC(C)C ZINC001179838537 1386602323 /nfs/dbraw/zinc/60/23/23/1386602323.db2.gz BLLJJOLKXNAWGL-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C(C)C ZINC001179842903 1386604646 /nfs/dbraw/zinc/60/46/46/1386604646.db2.gz FMBZLTZHARTGDW-FLVLSHQESA-N 2 0 345.959 3.372 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001179899654 1386622676 /nfs/dbraw/zinc/62/26/76/1386622676.db2.gz WWYDVVXXLUHFRN-LPHOPBHVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001179967836 1386652189 /nfs/dbraw/zinc/65/21/89/1386652189.db2.gz JSIGGDQORBDYTD-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)[C@@H]1C ZINC001179983057 1386658141 /nfs/dbraw/zinc/65/81/41/1386658141.db2.gz KAAHJLRQRKMZCI-SNRMKQJTSA-N 2 0 349.494 3.198 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001180060672 1386683817 /nfs/dbraw/zinc/68/38/17/1386683817.db2.gz KZGHJMLGILJTIY-GOSISDBHSA-N 2 0 339.568 3.421 20 0 EGADRP CC[C@H]([NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001320756561 1386710530 /nfs/dbraw/zinc/71/05/30/1386710530.db2.gz OIHUKGHBHIJSQN-SFHVURJKSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226745 1386738746 /nfs/dbraw/zinc/73/87/46/1386738746.db2.gz JXQSKCVVFQWOGK-PXNSSMCTSA-N 2 0 345.531 3.229 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180260131 1386749487 /nfs/dbraw/zinc/74/94/87/1386749487.db2.gz UMRDYSZVMNMVQB-IBGZPJMESA-N 2 0 345.531 3.021 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001180369352 1386775728 /nfs/dbraw/zinc/77/57/28/1386775728.db2.gz ALNIFWUFVBIIDW-UHFFFAOYSA-N 2 0 333.520 3.101 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001180369671 1386776935 /nfs/dbraw/zinc/77/69/35/1386776935.db2.gz RORFXOJPCFARQE-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001180372579 1386777623 /nfs/dbraw/zinc/77/76/23/1386777623.db2.gz CGKQMLRCFCOQDV-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCC1=CCCCC1 ZINC001180898927 1386893873 /nfs/dbraw/zinc/89/38/73/1386893873.db2.gz GVSJDMCQAIPDDE-SLYNCCJLSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)CC12CCC[NH+]1CCC2 ZINC001181111120 1386938568 /nfs/dbraw/zinc/93/85/68/1386938568.db2.gz XOYHBBGUKCAJFK-KRWDZBQOSA-N 2 0 327.472 3.140 20 0 EGADRP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)ccn1 ZINC001181276599 1386971177 /nfs/dbraw/zinc/97/11/77/1386971177.db2.gz OTKAKVJNDHGFEU-LPHOPBHVSA-N 2 0 331.504 3.408 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001321875811 1387001579 /nfs/dbraw/zinc/00/15/79/1387001579.db2.gz KEHIGWYTMRBUDF-DLBZAZTESA-N 2 0 345.531 3.450 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736355 1387048477 /nfs/dbraw/zinc/04/84/77/1387048477.db2.gz OBZARENIXKVNJA-DAHFBQOPSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC(C)C)C1)[NH+](C)C ZINC001181884216 1387070837 /nfs/dbraw/zinc/07/08/37/1387070837.db2.gz DKQUKFTZIIUNLP-JRBPQWBISA-N 2 0 339.568 3.083 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001182018395 1387094468 /nfs/dbraw/zinc/09/44/68/1387094468.db2.gz IVZLMIPVLASFEZ-JXXFODFXSA-N 2 0 342.487 3.068 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486421 1387175114 /nfs/dbraw/zinc/17/51/14/1387175114.db2.gz MDRXVTUBGNDGKT-LVCYWYKZSA-N 2 0 345.531 3.082 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182590807 1387193201 /nfs/dbraw/zinc/19/32/01/1387193201.db2.gz UFXALOKBCSEHQF-QZTJIDSGSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2=CCCCC2)C1 ZINC001182932563 1387247811 /nfs/dbraw/zinc/24/78/11/1387247811.db2.gz BDPFHKNAIDQACL-WIYYLYMNSA-N 2 0 349.563 3.293 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001329321717 1389061914 /nfs/dbraw/zinc/06/19/14/1389061914.db2.gz SUJBCSQGUKNBKV-PKOBYXMFSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC001329937273 1389266304 /nfs/dbraw/zinc/26/63/04/1389266304.db2.gz NQIHBNZGONGNMU-VQTJNVASSA-N 2 0 345.531 3.134 20 0 EGADRP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001330030885 1389288573 /nfs/dbraw/zinc/28/85/73/1389288573.db2.gz HKLCPFVHMDBCQD-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH+]1CCC(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001698727117 1406377866 /nfs/dbraw/zinc/37/78/66/1406377866.db2.gz SJCRJJRHOTXFET-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC001337856681 1389462105 /nfs/dbraw/zinc/46/21/05/1389462105.db2.gz WTEATARMDUFKJE-PHSGOXPASA-N 2 0 338.442 3.178 20 0 EGADRP O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001330992442 1389589799 /nfs/dbraw/zinc/58/97/99/1389589799.db2.gz VTAHURNQEQRZLM-KRWDZBQOSA-N 2 0 329.488 3.391 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001331031516 1389603453 /nfs/dbraw/zinc/60/34/53/1389603453.db2.gz WNOUIPUVCLHQRI-HKUYNNGSSA-N 2 0 339.568 3.178 20 0 EGADRP CCC[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001331069023 1389618540 /nfs/dbraw/zinc/61/85/40/1389618540.db2.gz QFGCOPHZQUBQGY-IBGZPJMESA-N 2 0 331.504 3.012 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001332015448 1389946750 /nfs/dbraw/zinc/94/67/50/1389946750.db2.gz NHGBTEXWUDKRQE-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](CCc1ccccc1)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001332024743 1389949915 /nfs/dbraw/zinc/94/99/15/1389949915.db2.gz JZNRVEGEJFHSAV-SFHVURJKSA-N 2 0 330.516 3.488 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC001332084856 1389975258 /nfs/dbraw/zinc/97/52/58/1389975258.db2.gz LGNXLQHYLREGLR-GOSISDBHSA-N 2 0 327.472 3.001 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001332725089 1390170471 /nfs/dbraw/zinc/17/04/71/1390170471.db2.gz PGXYWAJMCTVFQJ-GOSISDBHSA-N 2 0 331.504 3.017 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@@H]([NH3+])CC(C)C ZINC001340202179 1390248580 /nfs/dbraw/zinc/24/85/80/1390248580.db2.gz XAPMBBOKRCWJGT-KRWDZBQOSA-N 2 0 349.544 3.246 20 0 EGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340242672 1390257458 /nfs/dbraw/zinc/25/74/58/1390257458.db2.gz VZKAOLRPGGYZCK-RBUKOAKNSA-N 2 0 345.531 3.121 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340242670 1390257685 /nfs/dbraw/zinc/25/76/85/1390257685.db2.gz VZKAOLRPGGYZCK-MOPGFXCFSA-N 2 0 345.531 3.121 20 0 EGADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1ccccc1Br ZINC001333698177 1390377293 /nfs/dbraw/zinc/37/72/93/1390377293.db2.gz MXWBZWWGLTXXPV-CYBMUJFWSA-N 2 0 341.293 3.148 20 0 EGADRP [NH3+]C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCCC1 ZINC001340871578 1390390007 /nfs/dbraw/zinc/39/00/07/1390390007.db2.gz IOXONKCDYSDNQX-OALUTQOASA-N 2 0 335.536 3.009 20 0 EGADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001341605313 1390508911 /nfs/dbraw/zinc/50/89/11/1390508911.db2.gz MIOBUIABUPBVEX-FRQCXROJSA-N 2 0 331.504 3.092 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001341699208 1390518689 /nfs/dbraw/zinc/51/86/89/1390518689.db2.gz DMZPITLCXDOEFX-NZSAHSFTSA-N 2 0 345.531 3.261 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@H]2C1 ZINC001335133199 1390646654 /nfs/dbraw/zinc/64/66/54/1390646654.db2.gz DQCONCTXWBQZJG-KCYZZUKISA-N 2 0 335.517 3.157 20 0 EGADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001335134560 1390647273 /nfs/dbraw/zinc/64/72/73/1390647273.db2.gz TUEHNHSBLWGSJK-KSZLIROESA-N 2 0 332.488 3.256 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H](n2cncn2)C1 ZINC001343916176 1390743994 /nfs/dbraw/zinc/74/39/94/1390743994.db2.gz LKBLVIXOHPMIPM-ZCOZCJCESA-N 2 0 345.535 3.395 20 0 EGADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC001345106362 1390837790 /nfs/dbraw/zinc/83/77/90/1390837790.db2.gz YETDSAWBJBCXPJ-INIZCTEOSA-N 2 0 328.456 3.362 20 0 EGADRP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)sc2C1 ZINC001345956190 1390897148 /nfs/dbraw/zinc/89/71/48/1390897148.db2.gz MTAOSCMZSZRUNE-OWCLPIDISA-N 2 0 333.545 3.480 20 0 EGADRP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[N@@H+]2C1 ZINC001347980329 1391153466 /nfs/dbraw/zinc/15/34/66/1391153466.db2.gz ISTFIJFYDQNMIW-HLIPFELVSA-N 2 0 347.547 3.020 20 0 EGADRP O=C1Nc2ccccc2[C@H]1C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC001349390450 1391326405 /nfs/dbraw/zinc/32/64/05/1391326405.db2.gz WHKBVJDYTFHKJH-HXUWFJFHSA-N 2 0 341.499 3.214 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001488671251 1391700793 /nfs/dbraw/zinc/70/07/93/1391700793.db2.gz JSZCXBQVFVKVMI-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC/C=C/c2ccccc2)C1 ZINC001479913924 1392481667 /nfs/dbraw/zinc/48/16/67/1392481667.db2.gz YQVFMOCEPWXSCY-ACGJQVIASA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001480359260 1392704249 /nfs/dbraw/zinc/70/42/49/1392704249.db2.gz LHIZUJZHYUSXOD-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001480710499 1392872657 /nfs/dbraw/zinc/87/26/57/1392872657.db2.gz QXVJVMPIJXJQOM-UXHICEINSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCC2)C1)[NH+](C)C ZINC001480738870 1392905097 /nfs/dbraw/zinc/90/50/97/1392905097.db2.gz ISBPUFLLFGXBHT-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001480975710 1393060972 /nfs/dbraw/zinc/06/09/72/1393060972.db2.gz ZRUUTPBQRBERQQ-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CCCc2ccccc21 ZINC001481139141 1393131027 /nfs/dbraw/zinc/13/10/27/1393131027.db2.gz GCWXBVVCVDSIIC-UXHICEINSA-N 2 0 345.531 3.232 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](CCNC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001481173283 1393141320 /nfs/dbraw/zinc/14/13/20/1393141320.db2.gz NZLQUQWGRRDTLF-QGZVFWFLSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001481319480 1393163199 /nfs/dbraw/zinc/16/31/99/1393163199.db2.gz GGOZESKCRRERLF-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001698901713 1406634931 /nfs/dbraw/zinc/63/49/31/1406634931.db2.gz PQXNSKBZXWPDEN-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001490666935 1394290744 /nfs/dbraw/zinc/29/07/44/1394290744.db2.gz BXMNSMCHCNJYNO-LPHOPBHVSA-N 2 0 343.515 3.025 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481500888 1394346704 /nfs/dbraw/zinc/34/67/04/1394346704.db2.gz SOXGMZMCVAQZKQ-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](CCC(=O)NC1C[NH+](CC2CCCCC2)C1)C1CCCCC1 ZINC001481573173 1394411023 /nfs/dbraw/zinc/41/10/23/1394411023.db2.gz PGHAIZNPQTUAOH-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H](CC)[NH+](C)C)c1 ZINC001491230863 1394486354 /nfs/dbraw/zinc/48/63/54/1394486354.db2.gz QMNQBSOFLHBRKO-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001481818535 1394544604 /nfs/dbraw/zinc/54/46/04/1394544604.db2.gz JNALVOUSRREIMU-KRWDZBQOSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCC(C)(C)C)C2)C1)[NH+](C)C ZINC001483847740 1395114398 /nfs/dbraw/zinc/11/43/98/1395114398.db2.gz OYYUKYGUFXUXLS-FXAWDEMLSA-N 2 0 337.552 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@](C)(C[NH2+]CC3CCCCC3)C2)CC1 ZINC001484119057 1395261809 /nfs/dbraw/zinc/26/18/09/1395261809.db2.gz KELVKSZYSGVRBS-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001484657035 1395464782 /nfs/dbraw/zinc/46/47/82/1395464782.db2.gz YHWPGQQDORNFGZ-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCCCC1 ZINC001484976098 1395614843 /nfs/dbraw/zinc/61/48/43/1395614843.db2.gz BGTKNYCFYBKWPK-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCCCC1 ZINC001484976096 1395616201 /nfs/dbraw/zinc/61/62/01/1395616201.db2.gz BGTKNYCFYBKWPK-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001485939247 1396170901 /nfs/dbraw/zinc/17/09/01/1396170901.db2.gz XYHSUMUHPJUPSU-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)cc1C ZINC001485960560 1396174148 /nfs/dbraw/zinc/17/41/48/1396174148.db2.gz IJIQGPDGIQTZAT-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccccc21)[NH+](C)C ZINC001503276138 1396249627 /nfs/dbraw/zinc/24/96/27/1396249627.db2.gz UAJSRRRWZBDSMX-VDGAXYAQSA-N 2 0 345.531 3.135 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001493006335 1396331500 /nfs/dbraw/zinc/33/15/00/1396331500.db2.gz GVBFEYIENCVXGA-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001493830083 1396343428 /nfs/dbraw/zinc/34/34/28/1396343428.db2.gz MIIRSHLPPNHZGK-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156049 1396387392 /nfs/dbraw/zinc/38/73/92/1396387392.db2.gz FCLWOCPLLMEALX-SJORKVTESA-N 2 0 349.494 3.009 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001494271988 1396415135 /nfs/dbraw/zinc/41/51/35/1396415135.db2.gz RRZDEYPXZYKDNV-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001494593209 1396480754 /nfs/dbraw/zinc/48/07/54/1396480754.db2.gz PQZFFQKDNBMIME-BEFAXECRSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001496560385 1396715512 /nfs/dbraw/zinc/71/55/12/1396715512.db2.gz BGHUDFCQJVHXJA-IBGZPJMESA-N 2 0 345.531 3.018 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498456515 1397003561 /nfs/dbraw/zinc/00/35/61/1397003561.db2.gz KOMGJEJLVPXVFY-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[N@H+](CCC(=O)NC[C@H]1CCC[NH+](CC2CCC2)C1)C1CCCCC1 ZINC001690385213 1404517626 /nfs/dbraw/zinc/51/76/26/1404517626.db2.gz IYVPGZFQLINWMG-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001690623171 1404658651 /nfs/dbraw/zinc/65/86/51/1404658651.db2.gz HISKDRMUOOJNAG-RBZFPXEDSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001690951631 1404860961 /nfs/dbraw/zinc/86/09/61/1404860961.db2.gz UFGDVUTXYRPSDJ-VQIMIIECSA-N 2 0 347.547 3.433 20 0 EGADRP CCc1ccccc1C[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690981882 1404894102 /nfs/dbraw/zinc/89/41/02/1404894102.db2.gz IOIHDIWHJGGSHT-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001725505222 1426187452 /nfs/dbraw/zinc/18/74/52/1426187452.db2.gz KGYUXWKAOHTFTI-IAGOWNOFSA-N 2 0 333.520 3.162 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001725631046 1426299438 /nfs/dbraw/zinc/29/94/38/1426299438.db2.gz OEXCDPBHMKSYBZ-FUHWJXTLSA-N 2 0 339.568 3.370 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001691117379 1405058897 /nfs/dbraw/zinc/05/88/97/1405058897.db2.gz RKZHRVROKWFDFN-YSIASYRMSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001691236891 1405177161 /nfs/dbraw/zinc/17/71/61/1405177161.db2.gz OCHJTSSUCCKXHI-GOSISDBHSA-N 2 0 343.515 3.204 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CCC1CCCC1)C(=O)C[NH+](C)CC(C)(C)C ZINC001691661160 1405393483 /nfs/dbraw/zinc/39/34/83/1405393483.db2.gz NHLPFYWZFIIDJH-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001691678545 1405412708 /nfs/dbraw/zinc/41/27/08/1405412708.db2.gz NQARZGKRHGVNCY-MSOLQXFVSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001691795927 1405507300 /nfs/dbraw/zinc/50/73/00/1405507300.db2.gz AONXCEVXXDWULM-FQEVSTJZSA-N 2 0 339.483 3.219 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001731630068 1427681637 /nfs/dbraw/zinc/68/16/37/1427681637.db2.gz UYUZYKFKPVRYKS-HOTGVXAUSA-N 2 0 349.494 3.101 20 0 EGADRP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1)CC(C)(C)C ZINC001692376178 1405982248 /nfs/dbraw/zinc/98/22/48/1405982248.db2.gz GSYKMYAQKYQRCI-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001698575177 1406183309 /nfs/dbraw/zinc/18/33/09/1406183309.db2.gz SAACOOFHVPDMLF-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001698576704 1406185671 /nfs/dbraw/zinc/18/56/71/1406185671.db2.gz YMOYYGFOHVIODH-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001732084866 1428343691 /nfs/dbraw/zinc/34/36/91/1428343691.db2.gz YLGRYCZYOTUEKX-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732091219 1428357676 /nfs/dbraw/zinc/35/76/76/1428357676.db2.gz GXAUFWBJNYIZTB-BJLQDIEVSA-N 2 0 345.531 3.223 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001732362518 1428548816 /nfs/dbraw/zinc/54/88/16/1428548816.db2.gz XHSVETMGLACSHA-IAGOWNOFSA-N 2 0 333.520 3.067 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732442302 1428582828 /nfs/dbraw/zinc/58/28/28/1428582828.db2.gz GHDKUAJPUZTJQX-ZWKOTPCHSA-N 2 0 345.531 3.224 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001732485282 1428608360 /nfs/dbraw/zinc/60/83/60/1428608360.db2.gz HWIZAOQNNUGTAT-FUHWJXTLSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001699489649 1412886890 /nfs/dbraw/zinc/88/68/90/1412886890.db2.gz ZZLYGEGFAQUFRL-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C[C@@H]1C ZINC001699742476 1413153417 /nfs/dbraw/zinc/15/34/17/1413153417.db2.gz ZHJZKFFLKSIURF-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827180 1413254029 /nfs/dbraw/zinc/25/40/29/1413254029.db2.gz VNIUSTOCSHBBRS-WIYYLYMNSA-N 2 0 343.515 3.204 20 0 EGADRP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001699877125 1413337266 /nfs/dbraw/zinc/33/72/66/1413337266.db2.gz QRADXPKLTXMQPS-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001700196031 1413636723 /nfs/dbraw/zinc/63/67/23/1413636723.db2.gz QSRFRUPUATTWNY-GPMSIDNRSA-N 2 0 349.494 3.007 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C)[NH+](C)C ZINC001700363060 1413880902 /nfs/dbraw/zinc/88/09/02/1413880902.db2.gz IKNXLAIXDVAUJM-ROUUACIJSA-N 2 0 339.568 3.322 20 0 EGADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)[C@H](C)c1ccccc1F ZINC001700477655 1414108594 /nfs/dbraw/zinc/10/85/94/1414108594.db2.gz SEMKCSSPDXXIQY-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1C ZINC001732582796 1428791024 /nfs/dbraw/zinc/79/10/24/1428791024.db2.gz ZXRYXWUHRWXGCF-AZUAARDMSA-N 2 0 345.531 3.321 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1)c1cccc(F)c1 ZINC001700780830 1414463315 /nfs/dbraw/zinc/46/33/15/1414463315.db2.gz PIDPKUPXGHVGMA-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCC1)C1CC([NH2+]CC2CCCCCC2)C1 ZINC001701028508 1414690375 /nfs/dbraw/zinc/69/03/75/1414690375.db2.gz ABGPDVMRNPPSPT-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001732740398 1428939258 /nfs/dbraw/zinc/93/92/58/1428939258.db2.gz HIHLJFKHQSOMLH-MSOLQXFVSA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001732957591 1429082160 /nfs/dbraw/zinc/08/21/60/1429082160.db2.gz BINKDLYGALGOBC-CPUCHLNUSA-N 2 0 339.911 3.082 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001733020569 1429139910 /nfs/dbraw/zinc/13/99/10/1429139910.db2.gz MNTZGXXCPPFCMR-IRXDYDNUSA-N 2 0 347.547 3.481 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001713089525 1417637279 /nfs/dbraw/zinc/63/72/79/1417637279.db2.gz BEDWVNARSUFGTJ-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2)C1CCC1 ZINC001713093992 1417642061 /nfs/dbraw/zinc/64/20/61/1417642061.db2.gz BGGZYUAGLOLLEE-IBGZPJMESA-N 2 0 347.547 3.022 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001713102302 1417656947 /nfs/dbraw/zinc/65/69/47/1417656947.db2.gz UELNMPDQFNOUJR-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001713113685 1417677013 /nfs/dbraw/zinc/67/70/13/1417677013.db2.gz URNYEWPDAHULOD-UZLBHIALSA-N 2 0 343.515 3.025 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001713113683 1417677160 /nfs/dbraw/zinc/67/71/60/1417677160.db2.gz URNYEWPDAHULOD-OXJNMPFZSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001713364691 1417977747 /nfs/dbraw/zinc/97/77/47/1417977747.db2.gz VNTMIICKJORAOF-MOPGFXCFSA-N 2 0 343.515 3.062 20 0 EGADRP CCc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713396044 1418012772 /nfs/dbraw/zinc/01/27/72/1418012772.db2.gz UASSMPGUUCGCIF-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP C[C@H](C(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001713418741 1418042570 /nfs/dbraw/zinc/04/25/70/1418042570.db2.gz IPABKAFHSMRBSM-ZWKOTPCHSA-N 2 0 335.536 3.236 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H](CC)c1ccc(F)cc1 ZINC001713517136 1418253899 /nfs/dbraw/zinc/25/38/99/1418253899.db2.gz CZSGCYNOZRRJNH-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530352 1418278920 /nfs/dbraw/zinc/27/89/20/1418278920.db2.gz DLCXKCGWXFZNNV-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C[N@H+](C)CCC3CCCC3)C2)CC1 ZINC001713757922 1418563410 /nfs/dbraw/zinc/56/34/10/1418563410.db2.gz NCIUTHGYVCHQAM-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C)c(C)c1 ZINC001714117543 1418920784 /nfs/dbraw/zinc/92/07/84/1418920784.db2.gz YUFSLRFIPBDSHF-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001714118418 1418923215 /nfs/dbraw/zinc/92/32/15/1418923215.db2.gz RJGMTOFVPRXHEJ-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001714134197 1418937025 /nfs/dbraw/zinc/93/70/25/1418937025.db2.gz BTQBNMYKPUIFEQ-PKOBYXMFSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001714433855 1419166424 /nfs/dbraw/zinc/16/64/24/1419166424.db2.gz HSONPCQYNPYLLK-OALUTQOASA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001714454763 1419187108 /nfs/dbraw/zinc/18/71/08/1419187108.db2.gz UYUYWBXRYCPEOZ-DLBZAZTESA-N 2 0 349.494 3.105 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001714564769 1419292824 /nfs/dbraw/zinc/29/28/24/1419292824.db2.gz LYBHCUIFYXFGMR-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001714564770 1419293110 /nfs/dbraw/zinc/29/31/10/1419293110.db2.gz LYBHCUIFYXFGMR-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001714590378 1419337124 /nfs/dbraw/zinc/33/71/24/1419337124.db2.gz WAHSHPFCLWBNMK-IBGZPJMESA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001714619430 1419384626 /nfs/dbraw/zinc/38/46/26/1419384626.db2.gz PBYZGAFUIFTVPN-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001714813734 1419524649 /nfs/dbraw/zinc/52/46/49/1419524649.db2.gz HSGKYVRKOASPBD-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001714884394 1419623743 /nfs/dbraw/zinc/62/37/43/1419623743.db2.gz ZBCCVMUSAKHUOF-ROUUACIJSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)cc1 ZINC001715005244 1419735085 /nfs/dbraw/zinc/73/50/85/1419735085.db2.gz APIOOSSVTBCAEQ-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001715024158 1419755862 /nfs/dbraw/zinc/75/58/62/1419755862.db2.gz QKZHQANXYQKTMB-LJQANCHMSA-N 2 0 345.531 3.185 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001715047329 1419788114 /nfs/dbraw/zinc/78/81/14/1419788114.db2.gz PWTFODZTPZWBQH-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001715083625 1419821288 /nfs/dbraw/zinc/82/12/88/1419821288.db2.gz GUPRVUNMOQAMTA-VQIMIIECSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001715156600 1419899390 /nfs/dbraw/zinc/89/93/90/1419899390.db2.gz LHNZRBHVANIDEO-UXHICEINSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](CC[NH2+]C(C)C)C2)o1 ZINC001715159308 1419901505 /nfs/dbraw/zinc/90/15/05/1419901505.db2.gz DDVKRFVUWPAKER-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001715225339 1419958468 /nfs/dbraw/zinc/95/84/68/1419958468.db2.gz CWPFAWWFRYGNBJ-OXJNMPFZSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001715225348 1419959047 /nfs/dbraw/zinc/95/90/47/1419959047.db2.gz CWPFAWWFRYGNBJ-UZLBHIALSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001715230239 1419962676 /nfs/dbraw/zinc/96/26/76/1419962676.db2.gz QXNRODJDYDYKKL-GOSISDBHSA-N 2 0 345.531 3.101 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001715422347 1420113992 /nfs/dbraw/zinc/11/39/92/1420113992.db2.gz PLFOGZDDMZWZPO-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CCC1CCCC1 ZINC001715526367 1420215151 /nfs/dbraw/zinc/21/51/51/1420215151.db2.gz YDJCUZIURZGCJI-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001715536652 1420232271 /nfs/dbraw/zinc/23/22/71/1420232271.db2.gz LRCQIDPHCZTFIW-FQEVSTJZSA-N 2 0 347.547 3.286 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001715548333 1420244824 /nfs/dbraw/zinc/24/48/24/1420244824.db2.gz KXKCNYWPLCZEPR-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)c1C ZINC001715945953 1420414260 /nfs/dbraw/zinc/41/42/60/1420414260.db2.gz UPMUOZJVOMKSHB-CQSZACIVSA-N 2 0 347.547 3.165 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)c(C)c1 ZINC001715962778 1420428858 /nfs/dbraw/zinc/42/88/58/1420428858.db2.gz ONPOKKVVZIRGPR-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001715999786 1420453619 /nfs/dbraw/zinc/45/36/19/1420453619.db2.gz LGNCCPMHZYHIGI-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001715999788 1420453687 /nfs/dbraw/zinc/45/36/87/1420453687.db2.gz LGNCCPMHZYHIGI-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716437177 1420658429 /nfs/dbraw/zinc/65/84/29/1420658429.db2.gz XYGNJIGTMDHOGM-ZWKOTPCHSA-N 2 0 345.531 3.415 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001716464458 1420677001 /nfs/dbraw/zinc/67/70/01/1420677001.db2.gz QYFSLIPDOJLDQW-OALUTQOASA-N 2 0 345.531 3.416 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001716501120 1420728009 /nfs/dbraw/zinc/72/80/09/1420728009.db2.gz ALJGUMRIHMRBIR-IAGOWNOFSA-N 2 0 345.531 3.015 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC001733287724 1429463152 /nfs/dbraw/zinc/46/31/52/1429463152.db2.gz GHMJXQBTKUTYOV-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001717341867 1421279276 /nfs/dbraw/zinc/27/92/76/1421279276.db2.gz GDDHNXLGGQVZBJ-YQVWRLOYSA-N 2 0 333.520 3.127 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001717366380 1421301850 /nfs/dbraw/zinc/30/18/50/1421301850.db2.gz ZDQPTMXVXWZQGG-INIZCTEOSA-N 2 0 337.533 3.146 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)[C@H](C)c1ccccc1F ZINC001717500820 1421444538 /nfs/dbraw/zinc/44/45/38/1421444538.db2.gz YEWTWQAAXFAJRS-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001717758232 1421620995 /nfs/dbraw/zinc/62/09/95/1421620995.db2.gz VYUAIBKWRDDJPD-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001733413454 1429615875 /nfs/dbraw/zinc/61/58/75/1429615875.db2.gz RWDWJXOGNKDOQH-NRFANRHFSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001733444051 1429652842 /nfs/dbraw/zinc/65/28/42/1429652842.db2.gz VZJJSLIXRAPFGH-NQIIRXRSSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H](C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1)[NH+](CC)CC ZINC001733450925 1429662905 /nfs/dbraw/zinc/66/29/05/1429662905.db2.gz CYPKCHOOHVSUSX-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1)[NH+](C)C ZINC001723639069 1424502408 /nfs/dbraw/zinc/50/24/08/1424502408.db2.gz AMXQRCPKGXYLNS-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C2)cc1 ZINC001723876112 1424595135 /nfs/dbraw/zinc/59/51/35/1424595135.db2.gz PVODMBJCKYFFPA-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@H+](CC(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCC2)C1)C1CCC1 ZINC001724322835 1424809643 /nfs/dbraw/zinc/80/96/43/1424809643.db2.gz HNIUOMMNSNPPMR-OAQYLSRUSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001724943434 1425327912 /nfs/dbraw/zinc/32/79/12/1425327912.db2.gz GQBXPLBHQHRBBM-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001725000901 1425409705 /nfs/dbraw/zinc/40/97/05/1425409705.db2.gz UZIUEFJBZSAECX-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccccc1C ZINC001725053857 1425487931 /nfs/dbraw/zinc/48/79/31/1425487931.db2.gz PDZHZJSFDKIERC-FQEVSTJZSA-N 2 0 345.531 3.150 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1)CC(C)(C)C ZINC001725244786 1425861614 /nfs/dbraw/zinc/86/16/14/1425861614.db2.gz YSBGNDVYANYCLX-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001725422010 1426071979 /nfs/dbraw/zinc/07/19/79/1426071979.db2.gz MAJXEWJBVBXKHG-SJLPKXTDSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CCCCCC1 ZINC001725623133 1426289041 /nfs/dbraw/zinc/28/90/41/1426289041.db2.gz ILXWOEBSXUJMHC-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)[C@H]1C ZINC001725627491 1426294569 /nfs/dbraw/zinc/29/45/69/1426294569.db2.gz LNDCFRPHDMBWGW-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001731348976 1427286371 /nfs/dbraw/zinc/28/63/71/1427286371.db2.gz BWYOHFHBVMQZGH-IBGZPJMESA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001731678627 1427726381 /nfs/dbraw/zinc/72/63/81/1427726381.db2.gz CYHDQHVWVUJUES-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001731694727 1427744141 /nfs/dbraw/zinc/74/41/41/1427744141.db2.gz LYHODSKTKKEYLL-LFXJARLDSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCCCC2)CCC1 ZINC001731829538 1428037036 /nfs/dbraw/zinc/03/70/36/1428037036.db2.gz QUWZTBNKBGERGP-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001731859805 1428097378 /nfs/dbraw/zinc/09/73/78/1428097378.db2.gz GGVSJVOZVHIJGW-HXUWFJFHSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](CC)c1ccccc1 ZINC001731864489 1428109345 /nfs/dbraw/zinc/10/93/45/1428109345.db2.gz KXFPEWHNTJSEMM-RLLQIKCJSA-N 2 0 345.531 3.306 20 0 EGADRP O=C(NCC[N@H+](CCC1CC1)C1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001731880791 1428150842 /nfs/dbraw/zinc/15/08/42/1428150842.db2.gz USQIVVUJVVDGDM-HXUWFJFHSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC001731918961 1428170439 /nfs/dbraw/zinc/17/04/39/1428170439.db2.gz GSUCKDMVBMGXFF-QGZVFWFLSA-N 2 0 345.531 3.403 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001733661809 1429854085 /nfs/dbraw/zinc/85/40/85/1429854085.db2.gz LAEVOAYBCXIVDO-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H]([NH2+]CC1CC1)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001733683634 1429898295 /nfs/dbraw/zinc/89/82/95/1429898295.db2.gz VGKVGOKOERDTBQ-QGZVFWFLSA-N 2 0 343.515 3.239 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001733783160 1430052399 /nfs/dbraw/zinc/05/23/99/1430052399.db2.gz WPYQHTZKFCMTLG-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCCCCC1 ZINC001733897143 1437714100 /nfs/dbraw/zinc/71/41/00/1437714100.db2.gz CFCDHFXIDYRKDG-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001733936173 1437750167 /nfs/dbraw/zinc/75/01/67/1437750167.db2.gz APIKTNVEFLZEMO-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001734013646 1437804847 /nfs/dbraw/zinc/80/48/47/1437804847.db2.gz QUTVWFOZRCUQMK-CTWPCTMYSA-N 2 0 349.494 3.025 20 0 EGADRP Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001734425083 1438091386 /nfs/dbraw/zinc/09/13/86/1438091386.db2.gz PXKSRDRVDKGUKA-MJGOQNOKSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001752124477 1440143015 /nfs/dbraw/zinc/14/30/15/1440143015.db2.gz LGWROGIOKUGFDS-HXUWFJFHSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1ccsc1 ZINC001752219416 1440156267 /nfs/dbraw/zinc/15/62/67/1440156267.db2.gz JNPIZDQHGNZCQP-ROUUACIJSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001752733747 1440204221 /nfs/dbraw/zinc/20/42/21/1440204221.db2.gz YZIYJHBTRNAJEJ-XYPHTWIQSA-N 2 0 349.906 3.122 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001752789326 1440213158 /nfs/dbraw/zinc/21/31/58/1440213158.db2.gz YICONCHWFOUABA-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752801932 1440215146 /nfs/dbraw/zinc/21/51/46/1440215146.db2.gz WAYSAUKMHOEJST-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCCC2)CCC1 ZINC001752820683 1440220360 /nfs/dbraw/zinc/22/03/60/1440220360.db2.gz GXPJOMKRFZQAGA-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001752823129 1440221971 /nfs/dbraw/zinc/22/19/71/1440221971.db2.gz VZQJWEKZBVMJBB-RTBURBONSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752839236 1440229599 /nfs/dbraw/zinc/22/95/99/1440229599.db2.gz CRIHCWWHAFPPGY-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001752841140 1440230506 /nfs/dbraw/zinc/23/05/06/1440230506.db2.gz OBJKETAASSKAFO-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001752850567 1440233567 /nfs/dbraw/zinc/23/35/67/1440233567.db2.gz VAEYQLGCSDIRSB-XKYKYTBYSA-N 2 0 349.563 3.480 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001752853361 1440234163 /nfs/dbraw/zinc/23/41/63/1440234163.db2.gz HDNOOBIFRFPPJB-VIQWUECVSA-N 2 0 345.531 3.415 20 0 EGADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001752880833 1440238863 /nfs/dbraw/zinc/23/88/63/1440238863.db2.gz ZHUCZJPFHIRHNF-LPHOPBHVSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001752903495 1440243543 /nfs/dbraw/zinc/24/35/43/1440243543.db2.gz PQHLIKYBINRVLT-MJGOQNOKSA-N 2 0 337.552 3.314 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001752976216 1440256109 /nfs/dbraw/zinc/25/61/09/1440256109.db2.gz LCGYANFUFBUWRM-WOJBJXKFSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1cccc([C@H](C)[NH+](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001752999439 1440263696 /nfs/dbraw/zinc/26/36/96/1440263696.db2.gz ADMHXPQMVNTNED-ICSRJNTNSA-N 2 0 345.531 3.319 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001753027309 1440271655 /nfs/dbraw/zinc/27/16/55/1440271655.db2.gz IEGZPPQXYFJOOL-QUCCMNQESA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001753027189 1440271715 /nfs/dbraw/zinc/27/17/15/1440271715.db2.gz FWGDNKAVKARFDM-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+](C)CCC1CCCC1 ZINC001753050061 1440279072 /nfs/dbraw/zinc/27/90/72/1440279072.db2.gz FMFGSUUKBQMRPB-UHFFFAOYSA-N 2 0 337.533 3.052 20 0 EGADRP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CCCCCC1 ZINC001753052893 1440280166 /nfs/dbraw/zinc/28/01/66/1440280166.db2.gz JEYMBQSGTWBGGA-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1cc2ccccc2s1 ZINC001753094569 1440301742 /nfs/dbraw/zinc/30/17/42/1440301742.db2.gz DNLJCWRLAPBEFI-UHFFFAOYSA-N 2 0 347.528 3.180 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH+]2CCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001753118416 1440312569 /nfs/dbraw/zinc/31/25/69/1440312569.db2.gz HUOXKKIXWVOIOA-OALUTQOASA-N 2 0 345.531 3.285 20 0 EGADRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1C ZINC001753147359 1440325173 /nfs/dbraw/zinc/32/51/73/1440325173.db2.gz ANFIXLQAKMYRQQ-IEBWSBKVSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001753254777 1440343529 /nfs/dbraw/zinc/34/35/29/1440343529.db2.gz NDDRPMKWZQTGGT-QGZVFWFLSA-N 2 0 347.547 3.435 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001753265692 1440344709 /nfs/dbraw/zinc/34/47/09/1440344709.db2.gz KHFHEPHRCICFBP-LPHOPBHVSA-N 2 0 349.494 3.055 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001753281322 1440347531 /nfs/dbraw/zinc/34/75/31/1440347531.db2.gz XZYRAINSLWLFRG-PWBPZBFBSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001753281320 1440347558 /nfs/dbraw/zinc/34/75/58/1440347558.db2.gz XZYRAINSLWLFRG-LXORQPIJSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)c1ccc(C(C)C)cc1 ZINC001753294652 1440351788 /nfs/dbraw/zinc/35/17/88/1440351788.db2.gz RWQPMULDPYYRLN-FQEVSTJZSA-N 2 0 345.531 3.453 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001753326193 1440366883 /nfs/dbraw/zinc/36/68/83/1440366883.db2.gz GIHOTXMTNNXNJE-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753328459 1440367789 /nfs/dbraw/zinc/36/77/89/1440367789.db2.gz TWNSNEOXAHSJNY-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001753364023 1440384149 /nfs/dbraw/zinc/38/41/49/1440384149.db2.gz MEUNRXDQZZEELM-YJJPMGAVSA-N 2 0 349.563 3.388 20 0 EGADRP C[N@H+](CCC(C)(C)C)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001753367458 1440386186 /nfs/dbraw/zinc/38/61/86/1440386186.db2.gz KPKWETGVGQSOHC-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001753462779 1440411646 /nfs/dbraw/zinc/41/16/46/1440411646.db2.gz XHMZEPOCPRHXLY-LJQANCHMSA-N 2 0 349.563 3.388 20 0 EGADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1c(C)cccc1C ZINC001753471389 1440414062 /nfs/dbraw/zinc/41/40/62/1440414062.db2.gz LUPQCFXNZICWDN-UYAOXDASSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001753477554 1440415593 /nfs/dbraw/zinc/41/55/93/1440415593.db2.gz DYEOOUPOEMHTEN-AZUAARDMSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001753478486 1440415787 /nfs/dbraw/zinc/41/57/87/1440415787.db2.gz KQNFOIDAXKRIQB-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]CC2=CCCCC2)C1 ZINC001753484098 1440417353 /nfs/dbraw/zinc/41/73/53/1440417353.db2.gz MSRVRERBHWWYNW-OALUTQOASA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001753518146 1440427939 /nfs/dbraw/zinc/42/79/39/1440427939.db2.gz BYDFHUVPBANCCG-BSIFCXSSSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001753528095 1440430118 /nfs/dbraw/zinc/43/01/18/1440430118.db2.gz UCAZVFGCHZKLAE-UWJYYQICSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001753528094 1440430210 /nfs/dbraw/zinc/43/02/10/1440430210.db2.gz UCAZVFGCHZKLAE-UTKZUKDTSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001753547927 1440434527 /nfs/dbraw/zinc/43/45/27/1440434527.db2.gz JQYHJXSDVPMWBZ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001753612557 1440449187 /nfs/dbraw/zinc/44/91/87/1440449187.db2.gz HXAYCLFCWIWNPP-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001753666028 1440460293 /nfs/dbraw/zinc/46/02/93/1440460293.db2.gz WCDMOVMCKJRMBF-UHFFFAOYSA-N 2 0 341.515 3.018 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001753736379 1440477750 /nfs/dbraw/zinc/47/77/50/1440477750.db2.gz LJFZTEIGQKYVAA-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](F)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001753737188 1440478116 /nfs/dbraw/zinc/47/81/16/1440478116.db2.gz VGEAVZYHDGRDTI-CVEARBPZSA-N 2 0 348.466 3.125 20 0 EGADRP O=C(N[C@H](C[NH2+]CC1CCC1)C1CCCCC1)C12CCC[NH+]1CCC2 ZINC001753746885 1440481210 /nfs/dbraw/zinc/48/12/10/1440481210.db2.gz FJUSSTURCUGOLJ-LJQANCHMSA-N 2 0 347.547 3.070 20 0 EGADRP O=C(N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1)C12CCC[NH+]1CCC2 ZINC001753746884 1440481292 /nfs/dbraw/zinc/48/12/92/1440481292.db2.gz FJUSSTURCUGOLJ-IBGZPJMESA-N 2 0 347.547 3.070 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001753755928 1440483063 /nfs/dbraw/zinc/48/30/63/1440483063.db2.gz XVBBTIGPXBXTIR-HMTUNPETSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCC1 ZINC001753777772 1440486700 /nfs/dbraw/zinc/48/67/00/1440486700.db2.gz VMMKOJNZEVAHDN-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001753798741 1440490357 /nfs/dbraw/zinc/49/03/57/1440490357.db2.gz FFFSGOINHTXNDV-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CCCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001753814387 1440493428 /nfs/dbraw/zinc/49/34/28/1440493428.db2.gz QCUCMIGZEBBLDM-OALUTQOASA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001753814446 1440493470 /nfs/dbraw/zinc/49/34/70/1440493470.db2.gz RBPHPIUGUXZVGB-MOPGFXCFSA-N 2 0 337.552 3.269 20 0 EGADRP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001753855860 1440508907 /nfs/dbraw/zinc/50/89/07/1440508907.db2.gz MDHGJXKCSBEHEM-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001753900557 1440523523 /nfs/dbraw/zinc/52/35/23/1440523523.db2.gz ZHGXMWUGYGPXGQ-DXPXIUTNSA-N 2 0 349.563 3.338 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CCC2CCCCC2)C1 ZINC001754195703 1440549566 /nfs/dbraw/zinc/54/95/66/1440549566.db2.gz XBTPMVMUJCWBPB-SLVIYJBESA-N 2 0 349.563 3.339 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001754225242 1440553166 /nfs/dbraw/zinc/55/31/66/1440553166.db2.gz PBRSQLBJIUZLLH-AEFFLSMTSA-N 2 0 337.552 3.170 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001754267271 1440560891 /nfs/dbraw/zinc/56/08/91/1440560891.db2.gz DHWLIDRQDWKWME-DLBZAZTESA-N 2 0 331.504 3.106 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc2ccccc21)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001754278802 1440562733 /nfs/dbraw/zinc/56/27/33/1440562733.db2.gz MOGFABFCZMDQOB-TWOQFEAHSA-N 2 0 339.483 3.089 20 0 EGADRP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001754380599 1440593329 /nfs/dbraw/zinc/59/33/29/1440593329.db2.gz XUEWZPHFOKVSCJ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754402307 1440595426 /nfs/dbraw/zinc/59/54/26/1440595426.db2.gz CVOJFUMXYYHTBJ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H](CC)C1 ZINC001754466791 1440604544 /nfs/dbraw/zinc/60/45/44/1440604544.db2.gz JCAHWGHSMRJHPU-PMACEKPBSA-N 2 0 345.531 3.054 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001754469948 1440605066 /nfs/dbraw/zinc/60/50/66/1440605066.db2.gz GKMPINRKUQIIRD-JNVNVXKGSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001754560570 1440633572 /nfs/dbraw/zinc/63/35/72/1440633572.db2.gz PXWJMBPUSVODOV-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC001754620260 1440645150 /nfs/dbraw/zinc/64/51/50/1440645150.db2.gz PQBUKVFBAFUNBH-ACBHZAAOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CCC[NH+]1CCC(C)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001754629639 1440647250 /nfs/dbraw/zinc/64/72/50/1440647250.db2.gz IHMFHJQEOUXZJB-HDICACEKSA-N 2 0 337.552 3.266 20 0 EGADRP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CCC2CCCCC2)CC1 ZINC001754631517 1440647939 /nfs/dbraw/zinc/64/79/39/1440647939.db2.gz RPYRUSJKTCWZKT-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001754649295 1440651440 /nfs/dbraw/zinc/65/14/40/1440651440.db2.gz IQZIVOUUCLEGTR-PMACEKPBSA-N 2 0 349.563 3.458 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001754650404 1440651813 /nfs/dbraw/zinc/65/18/13/1440651813.db2.gz LDNUXYUXQJHEPU-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C2CCCC2)C1 ZINC001754656896 1440653777 /nfs/dbraw/zinc/65/37/77/1440653777.db2.gz WRGRFKUJNIJVOO-PMACEKPBSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754696040 1440667067 /nfs/dbraw/zinc/66/70/67/1440667067.db2.gz VRNWQWIXPPXVFL-NQIIRXRSSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCC3)C2)CC1 ZINC001754706857 1440669197 /nfs/dbraw/zinc/66/91/97/1440669197.db2.gz GWSUPJJWXILELL-NRFANRHFSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001754720662 1440673154 /nfs/dbraw/zinc/67/31/54/1440673154.db2.gz RROVJCRABAMRBT-SFHVURJKSA-N 2 0 337.552 3.291 20 0 EGADRP CC(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001754807754 1440691536 /nfs/dbraw/zinc/69/15/36/1440691536.db2.gz SVTGVIUXIVNVKO-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001754833198 1440696249 /nfs/dbraw/zinc/69/62/49/1440696249.db2.gz OWKMFYGQGNLBAQ-ACDBMABISA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754914774 1440708488 /nfs/dbraw/zinc/70/84/88/1440708488.db2.gz MICNAKMUDRTDLQ-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001754916277 1440708643 /nfs/dbraw/zinc/70/86/43/1440708643.db2.gz SKHNHMNJARACEN-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001754940847 1440711759 /nfs/dbraw/zinc/71/17/59/1440711759.db2.gz XVKAZKWDPJIBKK-OALUTQOASA-N 2 0 345.531 3.226 20 0 EGADRP CCCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001754951192 1440715073 /nfs/dbraw/zinc/71/50/73/1440715073.db2.gz LQKWQXPIHIBRCS-APWZRJJASA-N 2 0 331.504 3.095 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001755027529 1440729607 /nfs/dbraw/zinc/72/96/07/1440729607.db2.gz BHNFHNPYHOVQKN-RTBURBONSA-N 2 0 345.531 3.287 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027764 1440729924 /nfs/dbraw/zinc/72/99/24/1440729924.db2.gz GRBTYOXAAVTXOG-RBUKOAKNSA-N 2 0 345.531 3.369 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001755028350 1440730202 /nfs/dbraw/zinc/73/02/02/1440730202.db2.gz MGVGURGJCKHTSV-IBGZPJMESA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001755029920 1440730850 /nfs/dbraw/zinc/73/08/50/1440730850.db2.gz SPUGJFPIXOHSSW-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001755029690 1440730894 /nfs/dbraw/zinc/73/08/94/1440730894.db2.gz YRNGMJVEKWAJOG-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CC)([NH2+]CCC3CC3)CC2)C1 ZINC001755070927 1440746519 /nfs/dbraw/zinc/74/65/19/1440746519.db2.gz BPZNQGMBAWLCJS-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001755079445 1440750233 /nfs/dbraw/zinc/75/02/33/1440750233.db2.gz KGFGBRLMMVPCGH-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001755118873 1440755405 /nfs/dbraw/zinc/75/54/05/1440755405.db2.gz TWEIWWBRQQKEJD-APWZRJJASA-N 2 0 345.531 3.235 20 0 EGADRP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001755135568 1440758072 /nfs/dbraw/zinc/75/80/72/1440758072.db2.gz VDFAUYZWJPNENY-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001755142572 1440761433 /nfs/dbraw/zinc/76/14/33/1440761433.db2.gz BOUXPXPIYNWXOI-MJRGOJFPSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H](C)C1 ZINC001755165142 1440766707 /nfs/dbraw/zinc/76/67/07/1440766707.db2.gz GCWNFDPLERAQQN-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)cc1C ZINC001755197845 1440777805 /nfs/dbraw/zinc/77/78/05/1440777805.db2.gz OIALWRXDIOJWTA-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC2=CCCCC2)CC1 ZINC001755198285 1440778227 /nfs/dbraw/zinc/77/82/27/1440778227.db2.gz XGLOFZXWCQRZOT-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001755211580 1440783258 /nfs/dbraw/zinc/78/32/58/1440783258.db2.gz VVPGGFFXFBJNKO-XBMUEBEBSA-N 2 0 347.547 3.092 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CC2CC(NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001755221689 1440784760 /nfs/dbraw/zinc/78/47/60/1440784760.db2.gz HLBSVZBHWDXFLU-VIQWUECVSA-N 2 0 345.531 3.189 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001755250660 1440791766 /nfs/dbraw/zinc/79/17/66/1440791766.db2.gz SSMLHHWGRAHVFM-IAGOWNOFSA-N 2 0 341.499 3.164 20 0 EGADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CC1CCC(C)CC1 ZINC001755327788 1440822636 /nfs/dbraw/zinc/82/26/36/1440822636.db2.gz KRPUNUHEHZEWHD-XBMUEBEBSA-N 2 0 337.552 3.125 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CCC(C)(C)C)C1 ZINC001755367376 1440835508 /nfs/dbraw/zinc/83/55/08/1440835508.db2.gz GPUIHOFDBPXQEE-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755368486 1440836176 /nfs/dbraw/zinc/83/61/76/1440836176.db2.gz RXDNMQFYQVDDJS-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001755387864 1440841079 /nfs/dbraw/zinc/84/10/79/1440841079.db2.gz SBABMJYESLKPLF-QGZVFWFLSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001755472585 1440859097 /nfs/dbraw/zinc/85/90/97/1440859097.db2.gz AFIHVRVORXLWJM-BZSNNMDCSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755588261 1440880892 /nfs/dbraw/zinc/88/08/92/1440880892.db2.gz VNZFTNUKYFTXGN-MSOLQXFVSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001755691975 1440896800 /nfs/dbraw/zinc/89/68/00/1440896800.db2.gz FIJHASOYZITRRL-APWZRJJASA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C/C=C\c2ccccc2)[C@H]1C ZINC001755722033 1440907944 /nfs/dbraw/zinc/90/79/44/1440907944.db2.gz DTYABLGVSFPGMT-TYLQSNEBSA-N 2 0 343.515 3.009 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755764088 1440915711 /nfs/dbraw/zinc/91/57/11/1440915711.db2.gz YZGPFRGGUUJOLB-MAUKXSAKSA-N 2 0 349.494 3.055 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755826304 1440927327 /nfs/dbraw/zinc/92/73/27/1440927327.db2.gz ODTQBNGZXRZQBS-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001755830243 1440928489 /nfs/dbraw/zinc/92/84/89/1440928489.db2.gz KUHCHMLWUKHIEV-RBUKOAKNSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001755865526 1440937682 /nfs/dbraw/zinc/93/76/82/1440937682.db2.gz HHAPSUAYIVRCNV-ABHNRTSZSA-N 2 0 337.552 3.122 20 0 EGADRP CN1CCC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1cccs1 ZINC000368217256 168326422 /nfs/dbraw/zinc/32/64/22/168326422.db2.gz XDDYQQQNTBBOAV-GUYCJALGSA-N 2 0 341.484 3.144 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000368450299 168357870 /nfs/dbraw/zinc/35/78/70/168357870.db2.gz HWRQSTPCIIDQHZ-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CS[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000368462818 168359916 /nfs/dbraw/zinc/35/99/16/168359916.db2.gz QLNSLHNTSHBPBK-AEFFLSMTSA-N 2 0 339.593 3.055 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368566812 168373918 /nfs/dbraw/zinc/37/39/18/168373918.db2.gz JZZBQJSFORKDAE-VUHPKUFZSA-N 2 0 332.488 3.074 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC2(CCCC2)CC1)c1ccccc1 ZINC000354793479 282171253 /nfs/dbraw/zinc/17/12/53/282171253.db2.gz QLCOACOLCQKCIA-IBGZPJMESA-N 2 0 343.515 3.062 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000181676849 529999944 /nfs/dbraw/zinc/99/99/44/529999944.db2.gz QQEXMOACRRVLCY-NRFANRHFSA-N 2 0 346.515 3.374 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178036792 232065703 /nfs/dbraw/zinc/06/57/03/232065703.db2.gz YQMUNSUQRQRRLF-ULQDDVLXSA-N 2 0 332.488 3.162 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC[N@@H+]1C ZINC000180902544 234023834 /nfs/dbraw/zinc/02/38/34/234023834.db2.gz DVJKZGSXPZJJBE-WFASDCNBSA-N 2 0 334.851 3.005 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000183850814 235243519 /nfs/dbraw/zinc/24/35/19/235243519.db2.gz UPNGUBPXNIFCLV-UHFFFAOYSA-N 2 0 335.495 3.372 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000130340036 223144819 /nfs/dbraw/zinc/14/48/19/223144819.db2.gz POLBGMAVDDLLML-MGPUTAFESA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NC(C)(C)C ZINC000079303719 299323943 /nfs/dbraw/zinc/32/39/43/299323943.db2.gz NHZGFLJWRVSLNJ-IRXDYDNUSA-N 2 0 345.531 3.311 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000370495869 242022765 /nfs/dbraw/zinc/02/27/65/242022765.db2.gz GLMQLTMNMNBVQE-WOJBJXKFSA-N 2 0 334.479 3.446 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000021520948 212228315 /nfs/dbraw/zinc/22/83/15/212228315.db2.gz SFIQTZSVTINEKW-ZDUSSCGKSA-N 2 0 330.303 3.282 20 0 EGADRP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000231464049 242268114 /nfs/dbraw/zinc/26/81/14/242268114.db2.gz VHXJWPXHKMFRNL-CYBMUJFWSA-N 2 0 327.266 3.032 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236877225 242391885 /nfs/dbraw/zinc/39/18/85/242391885.db2.gz CBCCUQIAYUYYBB-WOJBJXKFSA-N 2 0 339.483 3.276 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264886898 247009766 /nfs/dbraw/zinc/00/97/66/247009766.db2.gz IXPXIJQACGCCJK-UHFFFAOYSA-N 2 0 345.531 3.137 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000377613811 169048308 /nfs/dbraw/zinc/04/83/08/169048308.db2.gz FVXYVLXHJILYLR-OAJJDEHYSA-N 2 0 349.469 3.078 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000377621506 169049632 /nfs/dbraw/zinc/04/96/32/169049632.db2.gz XKPRECXEONYJNF-LJQANCHMSA-N 2 0 327.472 3.033 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634815 169052245 /nfs/dbraw/zinc/05/22/45/169052245.db2.gz YTWSFGXQGNZPOK-SFHVURJKSA-N 2 0 341.499 3.342 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378178505 169081213 /nfs/dbraw/zinc/08/12/13/169081213.db2.gz UDNIIHBNPREZJP-ZQDZILKHSA-N 2 0 341.952 3.119 20 0 EGADRP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066509 218113889 /nfs/dbraw/zinc/11/38/89/218113889.db2.gz HSDMHQLZJPRTSS-XLIONFOSSA-N 2 0 327.472 3.094 20 0 EGADRP Cc1nn(C)cc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000093006750 218184965 /nfs/dbraw/zinc/18/49/65/218184965.db2.gz GYRLCRLHXRJYNQ-UHFFFAOYSA-N 2 0 326.488 3.073 20 0 EGADRP COc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1OC(F)F ZINC000093088916 218193662 /nfs/dbraw/zinc/19/36/62/218193662.db2.gz JHOXFHMMTAIHNA-UHFFFAOYSA-N 2 0 328.403 3.070 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093372847 218219235 /nfs/dbraw/zinc/21/92/35/218219235.db2.gz UJDMZHBFJBEJGQ-PMACEKPBSA-N 2 0 347.547 3.316 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1Br ZINC000094010065 218261194 /nfs/dbraw/zinc/26/11/94/218261194.db2.gz DCAGNZCKGUDRDF-NSHDSACASA-N 2 0 327.266 3.108 20 0 EGADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268815492 252267408 /nfs/dbraw/zinc/26/74/08/252267408.db2.gz MDVSGSIKKKMMGU-YZGWKJHDSA-N 2 0 327.516 3.113 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000268848091 252296213 /nfs/dbraw/zinc/29/62/13/252296213.db2.gz VWCMCXXFCAAYIC-QGZVFWFLSA-N 2 0 333.520 3.263 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000268827340 252276476 /nfs/dbraw/zinc/27/64/76/252276476.db2.gz NPCUPARAWWBCQL-UHFFFAOYSA-N 2 0 336.907 3.462 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1 ZINC000112528891 220342591 /nfs/dbraw/zinc/34/25/91/220342591.db2.gz HTRPSKSBXMRGAP-HNNXBMFYSA-N 2 0 344.890 3.338 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000154201129 533183727 /nfs/dbraw/zinc/18/37/27/533183727.db2.gz HAQUEIXPUHVVKD-LMNJBCLMSA-N 2 0 345.531 3.295 20 0 EGADRP COC[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000245782859 285272371 /nfs/dbraw/zinc/27/23/71/285272371.db2.gz URUAJTGEBZUNIP-GOSISDBHSA-N 2 0 345.531 3.075 20 0 EGADRP C[NH+](C)CCC1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000118868125 221199464 /nfs/dbraw/zinc/19/94/64/221199464.db2.gz CPQMKWLEAYGZAA-UHFFFAOYSA-N 2 0 342.487 3.333 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000119650525 221367614 /nfs/dbraw/zinc/36/76/14/221367614.db2.gz MLNILHZSFUXNOZ-UHFFFAOYSA-N 2 0 341.499 3.454 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154061063 533417828 /nfs/dbraw/zinc/41/78/28/533417828.db2.gz WNXCDSINRUOHGL-APWZRJJASA-N 2 0 345.487 3.174 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000155011516 533498581 /nfs/dbraw/zinc/49/85/81/533498581.db2.gz DISSCLQXDYXUCZ-ARFHVFGLSA-N 2 0 346.544 3.014 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298366393 132390017 /nfs/dbraw/zinc/39/00/17/132390017.db2.gz KILFABXMPRSQHL-UHFFFAOYSA-N 3 0 330.520 3.295 20 0 EGADRP C[C@]1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCCC[NH2+]1 ZINC000237577042 141008320 /nfs/dbraw/zinc/00/83/20/141008320.db2.gz GFPNMYXGCYFTAW-OAQYLSRUSA-N 2 0 343.515 3.211 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000246852782 141039228 /nfs/dbraw/zinc/03/92/28/141039228.db2.gz CQHMGHSUSRHLID-ZWKOTPCHSA-N 2 0 333.520 3.010 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000268861343 141059414 /nfs/dbraw/zinc/05/94/14/141059414.db2.gz SCSKJTSWNSCFIY-IHPCNDPISA-N 2 0 334.504 3.101 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338022378 141075423 /nfs/dbraw/zinc/07/54/23/141075423.db2.gz MLCKYPJPOWJJMZ-DMUMMCEESA-N 2 0 343.515 3.029 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000353475346 141305006 /nfs/dbraw/zinc/30/50/06/141305006.db2.gz XEPYDWSOZYHZIB-RBUKOAKNSA-N 2 0 329.488 3.245 20 0 EGADRP Cc1noc(C)c1[C@H](C)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356839680 141351745 /nfs/dbraw/zinc/35/17/45/141351745.db2.gz FHHNWPFTVOKGNG-LLVKDONJSA-N 2 0 333.398 3.401 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000186737339 144142573 /nfs/dbraw/zinc/14/25/73/144142573.db2.gz DZTXDULYOVRXMP-HNNXBMFYSA-N 2 0 335.458 3.257 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000351847701 144315879 /nfs/dbraw/zinc/31/58/79/144315879.db2.gz AUMRWNMRGZQCTG-SJLPKXTDSA-N 2 0 337.467 3.351 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000117985494 152123331 /nfs/dbraw/zinc/12/33/31/152123331.db2.gz QETBHJSQMWVEPY-KSZLIROESA-N 2 0 337.552 3.218 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000120278594 152263822 /nfs/dbraw/zinc/26/38/22/152263822.db2.gz SHRKSKFMOQTBQQ-HOTGVXAUSA-N 2 0 347.528 3.047 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000120802480 152300049 /nfs/dbraw/zinc/30/00/49/152300049.db2.gz MBNCFXVZGUJFCG-QGZVFWFLSA-N 2 0 345.512 3.462 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000305145563 154087514 /nfs/dbraw/zinc/08/75/14/154087514.db2.gz RQPGDAPRHVIITR-DOTOQJQBSA-N 2 0 338.492 3.189 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000320826235 154164442 /nfs/dbraw/zinc/16/44/42/154164442.db2.gz MWTCEYFDFKROLT-UHFFFAOYSA-N 2 0 334.489 3.052 20 0 EGADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000325977837 154182062 /nfs/dbraw/zinc/18/20/62/154182062.db2.gz YRSWJGZUZWPNBR-UHFFFAOYSA-N 2 0 345.468 3.224 20 0 EGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C1CCN(CCO)CC1 ZINC000337499140 154384217 /nfs/dbraw/zinc/38/42/17/154384217.db2.gz KPRHEYKXSYONMU-CYBMUJFWSA-N 2 0 330.394 3.155 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]21 ZINC000346821075 156150747 /nfs/dbraw/zinc/15/07/47/156150747.db2.gz LFUMSQKPZMUZBA-IAOVAPTHSA-N 2 0 330.863 3.289 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]21 ZINC000346845187 156160671 /nfs/dbraw/zinc/16/06/71/156160671.db2.gz ZSXDEFACSRYTKP-ZTFGCOKTSA-N 2 0 330.863 3.085 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cc1 ZINC000346882595 156177391 /nfs/dbraw/zinc/17/73/91/156177391.db2.gz YMVBUFBRYJGBJZ-MRXNPFEDSA-N 2 0 333.520 3.311 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000346932337 156202134 /nfs/dbraw/zinc/20/21/34/156202134.db2.gz CBVUOZDEKYHLOU-MRXNPFEDSA-N 2 0 333.520 3.180 20 0 EGADRP CCCn1c2ccccc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347011258 156246715 /nfs/dbraw/zinc/24/67/15/156246715.db2.gz UJQORJNJLDNMGF-QGZVFWFLSA-N 2 0 326.488 3.410 20 0 EGADRP Cc1cccc(C)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348847623 156261769 /nfs/dbraw/zinc/26/17/69/156261769.db2.gz KLMSPBLHOCCNJE-UHFFFAOYSA-N 2 0 329.532 3.153 20 0 EGADRP CN(CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000349034020 156325124 /nfs/dbraw/zinc/32/51/24/156325124.db2.gz BXNZCEHUZIATSY-UHFFFAOYSA-N 2 0 344.330 3.451 20 0 EGADRP CC(C)COc1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000349035636 156325561 /nfs/dbraw/zinc/32/55/61/156325561.db2.gz KMXLRAXZYWERQB-UHFFFAOYSA-N 2 0 347.547 3.179 20 0 EGADRP Cc1noc(C2CCC([NH2+]CCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC000368644600 157249783 /nfs/dbraw/zinc/24/97/83/157249783.db2.gz DHCLPKMOQKFSEG-QEFXCSQDSA-N 2 0 334.508 3.362 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@@H]21 ZINC000093793274 162028126 /nfs/dbraw/zinc/02/81/26/162028126.db2.gz GKIVDDMIDIWRLD-GIVPXCGWSA-N 2 0 344.499 3.161 20 0 EGADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1Br ZINC000094070405 162040357 /nfs/dbraw/zinc/04/03/57/162040357.db2.gz QDKWGUUMOHMYNX-UHFFFAOYSA-N 2 0 341.293 3.087 20 0 EGADRP C[C@@H](c1ccccc1Br)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070208 162040394 /nfs/dbraw/zinc/04/03/94/162040394.db2.gz QTFHPZSJZDBGQB-ZDUSSCGKSA-N 2 0 341.293 3.340 20 0 EGADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000105480402 162056361 /nfs/dbraw/zinc/05/63/61/162056361.db2.gz HTKZLCKPJOBFLY-JSGCOSHPSA-N 2 0 346.393 3.066 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Cl)c1Cl ZINC000151799108 162602831 /nfs/dbraw/zinc/60/28/31/162602831.db2.gz QRLIYZIYYUBMDY-GFCCVEGCSA-N 2 0 331.287 3.348 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000248462142 163007716 /nfs/dbraw/zinc/00/77/16/163007716.db2.gz XYYMWVKEFTZBSU-RBBKRZOGSA-N 2 0 336.479 3.420 20 0 EGADRP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC000248995620 163050509 /nfs/dbraw/zinc/05/05/09/163050509.db2.gz OXUBBIYHNBLJFJ-AHSZXGJYSA-N 2 0 327.516 3.254 20 0 EGADRP C[C@H](O)CC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000305048609 163073517 /nfs/dbraw/zinc/07/35/17/163073517.db2.gz BRBOYIAWGVGTBT-KRWDZBQOSA-N 2 0 347.547 3.104 20 0 EGADRP CCN(CCC[NH+](C)C)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000338894938 163377831 /nfs/dbraw/zinc/37/78/31/163377831.db2.gz LHPOPIQMKXNAMW-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccnn2C)c1 ZINC000338947955 163399678 /nfs/dbraw/zinc/39/96/78/163399678.db2.gz JUOHBQRUXCAXHK-KRWDZBQOSA-N 2 0 326.488 3.169 20 0 EGADRP C[C@H](CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)OCc1ccccc1 ZINC000354727736 166019036 /nfs/dbraw/zinc/01/90/36/166019036.db2.gz HFORTDAZCYJCME-AYWYSENESA-N 2 0 346.515 3.165 20 0 EGADRP COCc1cccc(OCC2(C[N@H+](C)[C@@H]3CCN(C)[C@H](C)C3)CC2)c1 ZINC000354795513 166033699 /nfs/dbraw/zinc/03/36/99/166033699.db2.gz WXCGHUKMCVZPOX-IEBWSBKVSA-N 2 0 346.515 3.407 20 0 EGADRP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000343753941 164026791 /nfs/dbraw/zinc/02/67/91/164026791.db2.gz VCEFTQRHGARSNL-KGLIPLIRSA-N 2 0 344.425 3.103 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000343985885 164077798 /nfs/dbraw/zinc/07/77/98/164077798.db2.gz MRJBVGSXJFZWOU-FQEVSTJZSA-N 2 0 339.483 3.133 20 0 EGADRP c1ccc(COCCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000347389825 164492971 /nfs/dbraw/zinc/49/29/71/164492971.db2.gz GBVFQGXBTLPXNB-UHFFFAOYSA-N 2 0 346.515 3.028 20 0 EGADRP C[N@@H+](Cc1nc2ccccc2[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350318476 165029252 /nfs/dbraw/zinc/02/92/52/165029252.db2.gz NWMZGNFFUJHYHE-UHFFFAOYSA-N 2 0 335.455 3.306 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350952456 165086262 /nfs/dbraw/zinc/08/62/62/165086262.db2.gz SIJMUKQQGHYJIO-CQSZACIVSA-N 2 0 335.517 3.009 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000352040498 165205087 /nfs/dbraw/zinc/20/50/87/165205087.db2.gz OWQLEPMZSCASFP-UHOSZYNNSA-N 2 0 331.504 3.105 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1F ZINC000353650468 165844896 /nfs/dbraw/zinc/84/48/96/165844896.db2.gz QXYNIJVQQJLDND-CYBMUJFWSA-N 2 0 326.481 3.312 20 0 EGADRP CN(c1ccccc1C[NH2+]CC1(C(F)F)CC1)C1CC[NH+](C)CC1 ZINC000355160388 166120135 /nfs/dbraw/zinc/12/01/35/166120135.db2.gz VDLQNUHEJNXYLO-UHFFFAOYSA-N 2 0 337.458 3.352 20 0 EGADRP CSc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000356061143 166388873 /nfs/dbraw/zinc/38/88/73/166388873.db2.gz JXKJMNDGSPNPPL-UHFFFAOYSA-N 2 0 326.531 3.014 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359191857 167092106 /nfs/dbraw/zinc/09/21/06/167092106.db2.gz OMWYKZXLFFXHRB-NQIIRXRSSA-N 2 0 329.532 3.361 20 0 EGADRP CCC1(C[NH2+][C@@H](C)CC(=O)N(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000362637093 167814182 /nfs/dbraw/zinc/81/41/82/167814182.db2.gz GQRYLHRNKPMUQR-SFHVURJKSA-N 2 0 345.531 3.135 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCn2ccnc2)CC1 ZINC000366696902 168129466 /nfs/dbraw/zinc/12/94/66/168129466.db2.gz GHGPDVMGVJJBQQ-UHFFFAOYSA-N 2 0 326.488 3.306 20 0 EGADRP CC(C)n1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367967107 168290517 /nfs/dbraw/zinc/29/05/17/168290517.db2.gz SYQNJDFTKJJUMP-NHCUHLMSSA-N 2 0 338.499 3.418 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000122830554 222166995 /nfs/dbraw/zinc/16/69/95/222166995.db2.gz CINFQKQHOQZXIF-ZWKOTPCHSA-N 2 0 347.503 3.284 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000123675412 222315172 /nfs/dbraw/zinc/31/51/72/222315172.db2.gz GGKSWTWZYDMODO-IQMFZBJNSA-N 2 0 330.497 3.336 20 0 EGADRP C[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000174031672 265019793 /nfs/dbraw/zinc/01/97/93/265019793.db2.gz WPZZTCMLYYRMGF-GTPINHCMSA-N 2 0 339.524 3.144 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177310556 265245596 /nfs/dbraw/zinc/24/55/96/265245596.db2.gz JZWFNRSTASTBLV-OAQYLSRUSA-N 2 0 342.458 3.209 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186243105 265520773 /nfs/dbraw/zinc/52/07/73/265520773.db2.gz PZJWCASJMFAQOM-MRXNPFEDSA-N 2 0 338.565 3.335 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CN1Cc1ccccc1 ZINC000194078203 266088463 /nfs/dbraw/zinc/08/84/63/266088463.db2.gz RPKSUSDIWWYLEW-YHUYVZNPSA-N 2 0 326.484 3.197 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000195432004 266182045 /nfs/dbraw/zinc/18/20/45/266182045.db2.gz KSJGTAGHNAMAAI-UHFFFAOYSA-N 2 0 343.519 3.221 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000229943121 266202296 /nfs/dbraw/zinc/20/22/96/266202296.db2.gz LIPFHUAKGCIIGC-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236935903 266220731 /nfs/dbraw/zinc/22/07/31/266220731.db2.gz QHTCVAGJRMDFKQ-INMHGKMJSA-N 2 0 337.533 3.011 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000237894843 266247879 /nfs/dbraw/zinc/24/78/79/266247879.db2.gz UWXDSYROODNMNR-ZACQAIPSSA-N 2 0 349.544 3.299 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000237880364 266248977 /nfs/dbraw/zinc/24/89/77/266248977.db2.gz VRYISBRXVFBXAL-GOEBONIOSA-N 2 0 330.407 3.248 20 0 EGADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1O ZINC000178408956 533687102 /nfs/dbraw/zinc/68/71/02/533687102.db2.gz NLUBCJYBMCHKPP-HNNXBMFYSA-N 2 0 344.455 3.192 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1C ZINC000273405582 267034204 /nfs/dbraw/zinc/03/42/04/267034204.db2.gz WWFFWXYOXOPNFH-KRWDZBQOSA-N 2 0 325.456 3.010 20 0 EGADRP CC[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+](CC)CC ZINC000274072213 267176871 /nfs/dbraw/zinc/17/68/71/267176871.db2.gz OIZTYKFABLUUHN-FQEVSTJZSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759391 267281731 /nfs/dbraw/zinc/28/17/31/267281731.db2.gz JOVKTCKBUBWXBR-YSIASYRMSA-N 2 0 344.499 3.172 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274884345 267301962 /nfs/dbraw/zinc/30/19/62/267301962.db2.gz IBLPTXFZOZWVSS-XKGZKEIXSA-N 2 0 344.524 3.456 20 0 EGADRP CC(C)[N@H+](C)CCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000274906236 267305769 /nfs/dbraw/zinc/30/57/69/267305769.db2.gz FZFIUDWACOYKJH-UHFFFAOYSA-N 2 0 345.531 3.135 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000277715640 267851012 /nfs/dbraw/zinc/85/10/12/267851012.db2.gz NAENKSNLDXLZHZ-UHFFFAOYSA-N 2 0 344.430 3.164 20 0 EGADRP CCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OCC ZINC000278478694 268022486 /nfs/dbraw/zinc/02/24/86/268022486.db2.gz IYFNUDVTKDCDMI-UHFFFAOYSA-N 2 0 332.488 3.448 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278534980 268033451 /nfs/dbraw/zinc/03/34/51/268033451.db2.gz VYLZYPPLYDMMQO-UHFFFAOYSA-N 2 0 340.414 3.261 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CSCCc3ccccc32)C[C@@H](C)O1 ZINC000246979940 274347360 /nfs/dbraw/zinc/34/73/60/274347360.db2.gz KAPDSUHAWGLRGJ-HLIPFELVSA-N 2 0 348.556 3.496 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000246541270 275053276 /nfs/dbraw/zinc/05/32/76/275053276.db2.gz VYCISEPBVGEHMV-XUVXKRRUSA-N 2 0 332.463 3.171 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000013976263 275121233 /nfs/dbraw/zinc/12/12/33/275121233.db2.gz AQNQFXMDJLAVOU-SFHVURJKSA-N 2 0 343.515 3.229 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C12CCC[NH+]1CCC2 ZINC000278777145 275273901 /nfs/dbraw/zinc/27/39/01/275273901.db2.gz XLQDIYHJDINFIK-UHFFFAOYSA-N 2 0 327.472 3.239 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756006 275356685 /nfs/dbraw/zinc/35/66/85/275356685.db2.gz QWQRBXGWLRUVCB-GHTZIAJQSA-N 2 0 326.484 3.017 20 0 EGADRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c(Br)c1 ZINC000286515143 276010603 /nfs/dbraw/zinc/01/06/03/276010603.db2.gz MYJGTVJOKUDRMG-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP CC(C)[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354666717 276012648 /nfs/dbraw/zinc/01/26/48/276012648.db2.gz SVTBCGQZSWNFEN-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000263331175 276056469 /nfs/dbraw/zinc/05/64/69/276056469.db2.gz MCEMVGNQBDUJEE-MOPGFXCFSA-N 2 0 325.456 3.016 20 0 EGADRP C[N@H+](CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000287631251 276142024 /nfs/dbraw/zinc/14/20/24/276142024.db2.gz KJFGSZVRIPDVSI-JKSUJKDBSA-N 2 0 330.394 3.208 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000287724953 276151068 /nfs/dbraw/zinc/15/10/68/276151068.db2.gz OTKQBUSXBFTALV-MSOLQXFVSA-N 2 0 341.503 3.430 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352832703 276196357 /nfs/dbraw/zinc/19/63/57/276196357.db2.gz GBQRGBYWRVOSPJ-CYBMUJFWSA-N 2 0 349.466 3.130 20 0 EGADRP CN(c1ccccc1C[NH2+]C[C@H]1CCCSC1)C1CC[NH+](C)CC1 ZINC000288354569 276205260 /nfs/dbraw/zinc/20/52/60/276205260.db2.gz CKVPQFVYWBRIIJ-QGZVFWFLSA-N 2 0 347.572 3.450 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288524147 276223606 /nfs/dbraw/zinc/22/36/06/276223606.db2.gz JTPZAVHIRREQGY-INIZCTEOSA-N 2 0 345.462 3.272 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000356046090 276286350 /nfs/dbraw/zinc/28/63/50/276286350.db2.gz SBOORKNYWSAIFV-PMACEKPBSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000289300236 276318435 /nfs/dbraw/zinc/31/84/35/276318435.db2.gz SAKKDYXKKUSUHZ-UZLBHIALSA-N 2 0 336.483 3.172 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000289354072 276326648 /nfs/dbraw/zinc/32/66/48/276326648.db2.gz XWQCPHQXJKFTQR-IYBDPMFKSA-N 2 0 334.529 3.281 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NC(C)(C)CC)c1 ZINC000079307369 276335084 /nfs/dbraw/zinc/33/50/84/276335084.db2.gz WIVDCENAEIRLDE-MRXNPFEDSA-N 2 0 333.520 3.311 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000289556699 276357707 /nfs/dbraw/zinc/35/77/07/276357707.db2.gz YEKCNEPDYISELY-RTWAWAEBSA-N 2 0 329.532 3.066 20 0 EGADRP C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000290441547 276496233 /nfs/dbraw/zinc/49/62/33/276496233.db2.gz VPQDFIHVOZTYCC-FIKGOQFSSA-N 2 0 342.483 3.400 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352823455 277115389 /nfs/dbraw/zinc/11/53/89/277115389.db2.gz NGULXZVLQVBMCY-UHFFFAOYSA-N 2 0 342.531 3.426 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000246245370 278014334 /nfs/dbraw/zinc/01/43/34/278014334.db2.gz JGSVONFGWIUOHM-VBSBHUPXSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152390182 278351337 /nfs/dbraw/zinc/35/13/37/278351337.db2.gz FHQNWQUPGSFQOR-CABCVRRESA-N 2 0 342.487 3.105 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000154928516 288059439 /nfs/dbraw/zinc/05/94/39/288059439.db2.gz CLBFRGSBHMUHHS-YOEHRIQHSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000370636984 278612152 /nfs/dbraw/zinc/61/21/52/278612152.db2.gz TUZRPOQOUFSBLS-LZJOCLMNSA-N 2 0 327.516 3.383 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000337382717 279363536 /nfs/dbraw/zinc/36/35/36/279363536.db2.gz FLSOIWOAOIDQIW-FQEVSTJZSA-N 2 0 327.516 3.246 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000370074250 280136965 /nfs/dbraw/zinc/13/69/65/280136965.db2.gz KIOIHLCGNQZLOY-SFHVURJKSA-N 2 0 347.547 3.118 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000121394271 307518776 /nfs/dbraw/zinc/51/87/76/307518776.db2.gz WNLBXYBGCHPUMI-MAUKXSAKSA-N 2 0 335.511 3.367 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000414082170 309059951 /nfs/dbraw/zinc/05/99/51/309059951.db2.gz FMKNHHXGJBIIJI-IRXDYDNUSA-N 2 0 332.488 3.155 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000414198756 309066427 /nfs/dbraw/zinc/06/64/27/309066427.db2.gz WJUAUMZMCBBWCI-RYUDHWBXSA-N 2 0 344.272 3.366 20 0 EGADRP Cn1ccnc1[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175652 309064766 /nfs/dbraw/zinc/06/47/66/309064766.db2.gz HOEIKJUQSUYYKB-YJBOKZPZSA-N 2 0 346.906 3.484 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000155687592 307818661 /nfs/dbraw/zinc/81/86/61/307818661.db2.gz KEVPYNASJQQJAW-LSDHHAIUSA-N 2 0 343.437 3.382 20 0 EGADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414331273 309073377 /nfs/dbraw/zinc/07/33/77/309073377.db2.gz STSIFWVDZIMKNQ-UZLBHIALSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336929 309073631 /nfs/dbraw/zinc/07/36/31/309073631.db2.gz ZZKDPSFJHYYOTA-OXQOHEQNSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000414369687 309075893 /nfs/dbraw/zinc/07/58/93/309075893.db2.gz VEXRMJAUWIAQRZ-MJGOQNOKSA-N 2 0 326.488 3.119 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000248634886 308007911 /nfs/dbraw/zinc/00/79/11/308007911.db2.gz JYTGSWILJIJQIT-QRFRQXIXSA-N 2 0 334.504 3.481 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000249708456 308027415 /nfs/dbraw/zinc/02/74/15/308027415.db2.gz CBWDYCIEIRTDKJ-QGZVFWFLSA-N 2 0 343.515 3.162 20 0 EGADRP CC[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)[C@@H](C)C1 ZINC000272315527 308066884 /nfs/dbraw/zinc/06/68/84/308066884.db2.gz USNPXXGFSSFRAD-LAUBAEHRSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1-n1ccnn1 ZINC000293587167 308144248 /nfs/dbraw/zinc/14/42/48/308144248.db2.gz CLAYWMINPCURJN-QGZVFWFLSA-N 2 0 327.476 3.184 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293755432 308159090 /nfs/dbraw/zinc/15/90/90/308159090.db2.gz QSADBAQOOGGQFX-HYVNUMGLSA-N 2 0 328.435 3.289 20 0 EGADRP CC[C@@H](C)[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000294831201 308262012 /nfs/dbraw/zinc/26/20/12/308262012.db2.gz PZFWTMONHBCRGD-DYESRHJHSA-N 2 0 347.547 3.368 20 0 EGADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921584 308271891 /nfs/dbraw/zinc/27/18/91/308271891.db2.gz FRIRQLNZOMNTID-VWWARQNISA-N 2 0 327.516 3.112 20 0 EGADRP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccccc1 ZINC000294958395 308275966 /nfs/dbraw/zinc/27/59/66/308275966.db2.gz JRIDFOXHHBXSLA-DSKINZAPSA-N 2 0 330.516 3.487 20 0 EGADRP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccccc1 ZINC000294958391 308276183 /nfs/dbraw/zinc/27/61/83/308276183.db2.gz JRIDFOXHHBXSLA-CUWPLCDZSA-N 2 0 330.516 3.487 20 0 EGADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000295008366 308280991 /nfs/dbraw/zinc/28/09/91/308280991.db2.gz JDUFKDPPFVBOIQ-NXNFSMPISA-N 2 0 328.500 3.038 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000295209116 308302941 /nfs/dbraw/zinc/30/29/41/308302941.db2.gz PVNZUZRLUOVUIP-YLJYHZDGSA-N 2 0 339.483 3.022 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414596143 309091207 /nfs/dbraw/zinc/09/12/07/309091207.db2.gz UMEWWKRFFNKPLN-QZTJIDSGSA-N 2 0 325.456 3.067 20 0 EGADRP CCOC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[nH]c1C ZINC000295563130 308339102 /nfs/dbraw/zinc/33/91/02/308339102.db2.gz ZFWTYVIANVLVGP-HOCLYGCPSA-N 2 0 347.503 3.242 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000295916228 308374401 /nfs/dbraw/zinc/37/44/01/308374401.db2.gz ZSMLOHUXQDWSCE-HXUWFJFHSA-N 2 0 337.467 3.272 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706325 309096513 /nfs/dbraw/zinc/09/65/13/309096513.db2.gz LPRKLBVZWHKPOV-YJMBLLCNSA-N 3 0 341.543 3.361 20 0 EGADRP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414686141 309095391 /nfs/dbraw/zinc/09/53/91/309095391.db2.gz FLDZETXCDHINTA-ILZDJORESA-N 2 0 332.488 3.064 20 0 EGADRP C[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Br)c1 ZINC000414764870 309099400 /nfs/dbraw/zinc/09/94/00/309099400.db2.gz DRYMLFUJPTYFCH-CWRNSKLLSA-N 2 0 337.305 3.484 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H]1SC ZINC000297596715 308548804 /nfs/dbraw/zinc/54/88/04/308548804.db2.gz JRWWUCZTADVPGO-IPMKNSEASA-N 2 0 334.529 3.281 20 0 EGADRP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C1CC[NH2+]CC1 ZINC000414774335 309100112 /nfs/dbraw/zinc/10/01/12/309100112.db2.gz AXNYWIDPLNCSHY-UHFFFAOYSA-N 2 0 330.422 3.460 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(C)C ZINC000414779516 309100700 /nfs/dbraw/zinc/10/07/00/309100700.db2.gz KGUMXUYUKKHGEP-ZWKOTPCHSA-N 2 0 332.488 3.304 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414791959 309101704 /nfs/dbraw/zinc/10/17/04/309101704.db2.gz BQIBFMZPGAZNNS-LPHOPBHVSA-N 2 0 335.923 3.412 20 0 EGADRP CCCCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414796062 309102025 /nfs/dbraw/zinc/10/20/25/309102025.db2.gz XDCSNKGHQRGKJI-UXHICEINSA-N 2 0 332.488 3.194 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414799593 309102304 /nfs/dbraw/zinc/10/23/04/309102304.db2.gz KDNUILOEXAMVLZ-TZMCWYRMSA-N 2 0 334.357 3.374 20 0 EGADRP Cc1cccc(O[C@@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298444357 308614830 /nfs/dbraw/zinc/61/48/30/308614830.db2.gz NQGCGFKHDPQGLF-KRWDZBQOSA-N 2 0 325.456 3.416 20 0 EGADRP COc1ccccc1C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298551141 308624045 /nfs/dbraw/zinc/62/40/45/308624045.db2.gz USBJLNFXITYASF-UHFFFAOYSA-N 2 0 337.467 3.380 20 0 EGADRP CCOc1cc(C[NH2+]CCC2CC[NH+](C)CC2)cc(Cl)c1O ZINC000298574043 308625566 /nfs/dbraw/zinc/62/55/66/308625566.db2.gz XGAHLBBRCHDZHQ-UHFFFAOYSA-N 2 0 326.868 3.266 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414841884 309105013 /nfs/dbraw/zinc/10/50/13/309105013.db2.gz ZNHVSZXSTISHOP-CYBMUJFWSA-N 2 0 326.868 3.227 20 0 EGADRP Cc1ccc(CC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000303766407 308755147 /nfs/dbraw/zinc/75/51/47/308755147.db2.gz MAOLZUWEPJOSKW-RTBURBONSA-N 2 0 330.516 3.359 20 0 EGADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414844777 309105158 /nfs/dbraw/zinc/10/51/58/309105158.db2.gz FEAWFQFOFPJIHF-KRWDZBQOSA-N 2 0 326.488 3.475 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400324875 308906909 /nfs/dbraw/zinc/90/69/09/308906909.db2.gz BDBCJCOGTHPLSV-JKSUJKDBSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)C[NH+]1CCCC1 ZINC000411515451 308942265 /nfs/dbraw/zinc/94/22/65/308942265.db2.gz ZGBJHRYOGHPFDF-SFHVURJKSA-N 2 0 343.515 3.134 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414847761 309105404 /nfs/dbraw/zinc/10/54/04/309105404.db2.gz GBUBJHDBIWJRAK-WCQYABFASA-N 2 0 334.357 3.245 20 0 EGADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414869183 309106388 /nfs/dbraw/zinc/10/63/88/309106388.db2.gz AHNUZMKTHPAZOR-OAHLLOKOSA-N 2 0 338.430 3.363 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414901379 309108430 /nfs/dbraw/zinc/10/84/30/309108430.db2.gz JQRRAPNTGOWSQU-UHFFFAOYSA-N 2 0 326.488 3.028 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910966 309108825 /nfs/dbraw/zinc/10/88/25/309108825.db2.gz VZULXOAUABVNDL-DGCLKSJQSA-N 2 0 329.257 3.251 20 0 EGADRP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414916266 309109061 /nfs/dbraw/zinc/10/90/61/309109061.db2.gz PLLDZIJFSWBLQO-HNNXBMFYSA-N 2 0 330.422 3.318 20 0 EGADRP C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414966586 309111971 /nfs/dbraw/zinc/11/19/71/309111971.db2.gz OQKHGFFQBZJNDX-QGZVFWFLSA-N 2 0 346.519 3.354 20 0 EGADRP C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414966584 309112116 /nfs/dbraw/zinc/11/21/16/309112116.db2.gz OQKHGFFQBZJNDX-KRWDZBQOSA-N 2 0 346.519 3.354 20 0 EGADRP Cn1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-c2ccccc2Cl)n1 ZINC000414977757 309112497 /nfs/dbraw/zinc/11/24/97/309112497.db2.gz RRQFKSFDQLFYQQ-OAHLLOKOSA-N 2 0 332.879 3.362 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000414987757 309112932 /nfs/dbraw/zinc/11/29/32/309112932.db2.gz DYMXGCPCPVWCSE-OALUTQOASA-N 2 0 325.456 3.268 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414999327 309113439 /nfs/dbraw/zinc/11/34/39/309113439.db2.gz RROKDKNLMYVRFA-OALUTQOASA-N 2 0 326.488 3.155 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415017432 309114579 /nfs/dbraw/zinc/11/45/79/309114579.db2.gz FJAYAXHPSCKOKD-LBPRGKRZSA-N 2 0 326.366 3.108 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000415023177 309114883 /nfs/dbraw/zinc/11/48/83/309114883.db2.gz MJQMVDMWKYHACE-BBRMVZONSA-N 2 0 326.868 3.115 20 0 EGADRP Fc1ccc(C(C[NH2+]C[C@H]2C[NH2+]CCCO2)c2ccc(F)cc2)cc1 ZINC000415045732 309116318 /nfs/dbraw/zinc/11/63/18/309116318.db2.gz UFBRGDBRECSHLI-LJQANCHMSA-N 2 0 346.421 3.065 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C[C@@H]1C ZINC000415056284 309117098 /nfs/dbraw/zinc/11/70/98/309117098.db2.gz PSUWOMPULZLBNX-GDAAHCPNSA-N 2 0 332.488 3.424 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[NH2+]C1CC1 ZINC000415065408 309117931 /nfs/dbraw/zinc/11/79/31/309117931.db2.gz GFFIXLANFDXEJU-LBPRGKRZSA-N 2 0 343.393 3.154 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415076514 309118449 /nfs/dbraw/zinc/11/84/49/309118449.db2.gz CSABBXFKQSZFGA-NEYJZJCJSA-N 2 0 346.515 3.290 20 0 EGADRP COc1ccc([C@H](CN[C@H](C)C[C@H]2CCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000415074468 309118541 /nfs/dbraw/zinc/11/85/41/309118541.db2.gz ACGBNVFNZLMSCN-QFUCXCTJSA-N 2 0 345.531 3.342 20 0 EGADRP C[C@@]1(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH2+]C1 ZINC000415089498 309119545 /nfs/dbraw/zinc/11/95/45/309119545.db2.gz YBCMBIQCGKUPEB-FUHWJXTLSA-N 2 0 339.886 3.033 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCCc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000415102988 309120480 /nfs/dbraw/zinc/12/04/80/309120480.db2.gz FFOQXOHBOWFPEH-CQSZACIVSA-N 2 0 331.287 3.366 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000415122021 309121883 /nfs/dbraw/zinc/12/18/83/309121883.db2.gz HYFWOJWGNHMUOZ-QFBILLFUSA-N 2 0 325.456 3.077 20 0 EGADRP CC1(C)Cc2cc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)ccc2O1 ZINC000415123125 309121937 /nfs/dbraw/zinc/12/19/37/309121937.db2.gz LBYNVKIXHCUANG-QUCCMNQESA-N 2 0 344.499 3.118 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415130819 309122681 /nfs/dbraw/zinc/12/26/81/309122681.db2.gz XYBHGPSHHMXFGW-FPOVZHCZSA-N 2 0 346.515 3.440 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000415135350 309123014 /nfs/dbraw/zinc/12/30/14/309123014.db2.gz WOKGBDYUYZTOIH-SJORKVTESA-N 2 0 340.414 3.006 20 0 EGADRP CC(C)Oc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415134895 309123102 /nfs/dbraw/zinc/12/31/02/309123102.db2.gz WHOPEJJGLLDWGS-UXHICEINSA-N 2 0 332.488 3.192 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000415927103 309149075 /nfs/dbraw/zinc/14/90/75/309149075.db2.gz FISJJWCXVIFQJF-MRXNPFEDSA-N 2 0 340.471 3.048 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000415930778 309149450 /nfs/dbraw/zinc/14/94/50/309149450.db2.gz KWZMEYKOYMGSMA-SFHVURJKSA-N 2 0 346.519 3.428 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415932945 309149692 /nfs/dbraw/zinc/14/96/92/309149692.db2.gz NOMGQLDNBZPYGX-BBWFWOEESA-N 2 0 346.519 3.284 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000415939148 309150019 /nfs/dbraw/zinc/15/00/19/309150019.db2.gz ZZSIXRUSNHSJHW-SFHVURJKSA-N 2 0 332.492 3.038 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000415956848 309151242 /nfs/dbraw/zinc/15/12/42/309151242.db2.gz OUSMFUOQAIDLAM-SFHVURJKSA-N 2 0 344.503 3.182 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc1 ZINC000416019244 309154934 /nfs/dbraw/zinc/15/49/34/309154934.db2.gz XHBXFCJXSRIMDZ-SFHVURJKSA-N 2 0 332.492 3.038 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416181800 309162524 /nfs/dbraw/zinc/16/25/24/309162524.db2.gz TULUNGVIVJAZAJ-AZUAARDMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000416239248 309165171 /nfs/dbraw/zinc/16/51/71/309165171.db2.gz KJPQXJVZXHXISU-PXNSSMCTSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)(CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000416820964 309182533 /nfs/dbraw/zinc/18/25/33/309182533.db2.gz DBRDQGMADSWKAY-SFHVURJKSA-N 2 0 346.519 3.030 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417308964 309201082 /nfs/dbraw/zinc/20/10/82/309201082.db2.gz INCPAKKQLCKNQS-JFMONLCZSA-N 2 0 334.529 3.208 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)N1CC[NH+](C)CC1 ZINC000417322825 309201529 /nfs/dbraw/zinc/20/15/29/309201529.db2.gz NFHZIPBRGPXFID-XMTFNYHQSA-N 2 0 335.561 3.102 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000418176472 309238813 /nfs/dbraw/zinc/23/88/13/309238813.db2.gz HBIAVDZRNBHFOH-UHOSZYNNSA-N 2 0 348.535 3.001 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000418344190 309243428 /nfs/dbraw/zinc/24/34/28/309243428.db2.gz GDBOOQDCNHGHGS-GOSISDBHSA-N 2 0 348.535 3.229 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419337869 309264928 /nfs/dbraw/zinc/26/49/28/309264928.db2.gz YMYHHMDNTZWRAJ-QZTJIDSGSA-N 2 0 337.552 3.122 20 0 EGADRP C[N@H+](CCOc1ccc(Br)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000420295978 309279815 /nfs/dbraw/zinc/27/98/15/309279815.db2.gz BGQVUZRBYDNOPD-CQSZACIVSA-N 2 0 341.293 3.149 20 0 EGADRP OCCC[N@H+](CC[C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420309399 309280868 /nfs/dbraw/zinc/28/08/68/309280868.db2.gz TUOVFHHBTOHDOT-LJQANCHMSA-N 2 0 338.495 3.460 20 0 EGADRP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322743 309282165 /nfs/dbraw/zinc/28/21/65/309282165.db2.gz FFJMLFAKJOLBFN-HZPDHXFCSA-N 2 0 342.512 3.130 20 0 EGADRP O=C(c1cc(F)ccc1F)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420323389 309282218 /nfs/dbraw/zinc/28/22/18/309282218.db2.gz TZTKMBQXPPFUEL-AWEZNQCLSA-N 2 0 336.426 3.249 20 0 EGADRP COc1ccc(Br)cc1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420327309 309282343 /nfs/dbraw/zinc/28/23/43/309282343.db2.gz YFZROMBTDOJDJY-CYBMUJFWSA-N 2 0 341.293 3.279 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420324318 309282462 /nfs/dbraw/zinc/28/24/62/309282462.db2.gz VHOOYPXCTOSNET-IBGZPJMESA-N 3 0 329.532 3.220 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420333293 309282780 /nfs/dbraw/zinc/28/27/80/309282780.db2.gz FHTJJGZZIHTNGL-WMZOPIPTSA-N 2 0 329.488 3.094 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340652 309283243 /nfs/dbraw/zinc/28/32/43/309283243.db2.gz NBKQFLYEIDBEJU-IAGOWNOFSA-N 2 0 329.488 3.070 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000420341161 309283301 /nfs/dbraw/zinc/28/33/01/309283301.db2.gz NWHYUMDMUOVPPW-LPHOPBHVSA-N 2 0 329.488 3.094 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420340483 309283313 /nfs/dbraw/zinc/28/33/13/309283313.db2.gz PMLDNEHVGKVKSD-UHFFFAOYSA-N 2 0 344.480 3.263 20 0 EGADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420338244 309283333 /nfs/dbraw/zinc/28/33/33/309283333.db2.gz KMBFWUBZEVYOLT-ZWOKBUDYSA-N 2 0 343.515 3.025 20 0 EGADRP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420345758 309283403 /nfs/dbraw/zinc/28/34/03/309283403.db2.gz WOGFOSMPPLWWNS-BEFAXECRSA-N 2 0 329.488 3.040 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347810 309283730 /nfs/dbraw/zinc/28/37/30/309283730.db2.gz ZGRJRZUTTBGSFE-GASCZTMLSA-N 2 0 342.439 3.041 20 0 EGADRP FC(F)(F)c1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420357452 309283878 /nfs/dbraw/zinc/28/38/78/309283878.db2.gz HWJSLVSQKLZIGX-HNNXBMFYSA-N 2 0 341.421 3.217 20 0 EGADRP Cc1ccc(OCCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000420385366 309285809 /nfs/dbraw/zinc/28/58/09/309285809.db2.gz SWMILRXHDDFPCJ-LEWJYISDSA-N 2 0 346.515 3.291 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)C1 ZINC000420393687 309286078 /nfs/dbraw/zinc/28/60/78/309286078.db2.gz QPPZLEPXBYHDJU-QZTJIDSGSA-N 2 0 341.455 3.060 20 0 EGADRP Cc1nc([C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000420404272 309286650 /nfs/dbraw/zinc/28/66/50/309286650.db2.gz MQCPCJHPYAOIMF-ZDUSSCGKSA-N 2 0 349.862 3.150 20 0 EGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000420406084 309286671 /nfs/dbraw/zinc/28/66/71/309286671.db2.gz PQPGULXIRBUZBE-UHFFFAOYSA-N 2 0 348.393 3.043 20 0 EGADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCOCC[NH3+] ZINC000420409372 309286902 /nfs/dbraw/zinc/28/69/02/309286902.db2.gz QNODACJJCLXYAK-NSHDSACASA-N 2 0 339.892 3.398 20 0 EGADRP Cn1c2ccccc2nc1[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420418661 309287187 /nfs/dbraw/zinc/28/71/87/309287187.db2.gz XDQWIFLBKBMHJN-OXJNMPFZSA-N 2 0 334.467 3.252 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000420975328 309305406 /nfs/dbraw/zinc/30/54/06/309305406.db2.gz FQIINDFGGDEKGC-OAQYLSRUSA-N 2 0 345.506 3.305 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C(C)C)[C@@H](C)c2ccsc2)CC1 ZINC000421000340 309306872 /nfs/dbraw/zinc/30/68/72/309306872.db2.gz DCLDVSIVWKDPRE-HNNXBMFYSA-N 2 0 337.533 3.120 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421361462 309320373 /nfs/dbraw/zinc/32/03/73/309320373.db2.gz LAXSHXBTLFAKCI-UAPYVXQJSA-N 2 0 345.531 3.026 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000421870659 309344466 /nfs/dbraw/zinc/34/44/66/309344466.db2.gz FEFYSWXKKWSOOQ-IVMQYODDSA-N 3 0 333.520 3.150 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ncc(Br)s1 ZINC000421878931 309344810 /nfs/dbraw/zinc/34/48/10/309344810.db2.gz ODPOUIZPOQPMOE-WHXUTIOJSA-N 2 0 332.311 3.429 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000422559124 309361593 /nfs/dbraw/zinc/36/15/93/309361593.db2.gz CBZGUSLAVOCVKM-MBOZVWFJSA-N 2 0 339.483 3.466 20 0 EGADRP COc1sc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Br ZINC000422559450 309361627 /nfs/dbraw/zinc/36/16/27/309361627.db2.gz DAJDEZHUMUVXRC-AXFHLTTASA-N 2 0 347.322 3.324 20 0 EGADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000422698381 309363665 /nfs/dbraw/zinc/36/36/65/309363665.db2.gz ZAAOLKIVXBJMEU-SJORKVTESA-N 2 0 341.455 3.490 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000422698848 309363680 /nfs/dbraw/zinc/36/36/80/309363680.db2.gz BJXGNGMBVMNTLB-INIZCTEOSA-N 2 0 340.467 3.251 20 0 EGADRP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422718021 309364728 /nfs/dbraw/zinc/36/47/28/309364728.db2.gz WQBYGFNDFKZYBJ-APWZRJJASA-N 2 0 341.455 3.490 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422725499 309365118 /nfs/dbraw/zinc/36/51/18/309365118.db2.gz YDVILMSDSXHNBD-SWLSCSKDSA-N 2 0 326.868 3.225 20 0 EGADRP C[C@@H](N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726586 309365332 /nfs/dbraw/zinc/36/53/32/309365332.db2.gz FLRWSUOUUIYQJZ-COXVUDFISA-N 2 0 341.421 3.010 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000422736081 309365845 /nfs/dbraw/zinc/36/58/45/309365845.db2.gz XCZZNHJONZQYGR-KKSFZXQISA-N 2 0 338.499 3.336 20 0 EGADRP CC[C@H](C(=O)Nc1cccc(C[NH2+]C)c1)[N@H+](C)Cc1ccccc1 ZINC000422736501 309365891 /nfs/dbraw/zinc/36/58/91/309365891.db2.gz GICKPPNNYDYSNJ-LJQANCHMSA-N 2 0 325.456 3.255 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)c2)CC1 ZINC000422737439 309365983 /nfs/dbraw/zinc/36/59/83/309365983.db2.gz IFMUTILEQDYRCL-NQIIRXRSSA-N 3 0 329.532 3.396 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737675 309366131 /nfs/dbraw/zinc/36/61/31/309366131.db2.gz XQXQCNOFWKKYBH-SLYNCCJLSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422761016 309366955 /nfs/dbraw/zinc/36/69/55/309366955.db2.gz MMGUYWVOSRAGTJ-BEVDRBHNSA-N 2 0 345.918 3.491 20 0 EGADRP COc1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])N2CCCCC2)cc1 ZINC000422770826 309367447 /nfs/dbraw/zinc/36/74/47/309367447.db2.gz WSWPURDIXAJTFK-JBACZVJFSA-N 2 0 345.531 3.329 20 0 EGADRP CC[C@H](NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422771028 309367456 /nfs/dbraw/zinc/36/74/56/309367456.db2.gz VIHVYSIEMMNXFO-HOJAQTOUSA-N 2 0 345.531 3.007 20 0 EGADRP CC[C@@H](NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422771033 309367579 /nfs/dbraw/zinc/36/75/79/309367579.db2.gz VIHVYSIEMMNXFO-RLLQIKCJSA-N 2 0 345.531 3.007 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000422781099 309367973 /nfs/dbraw/zinc/36/79/73/309367973.db2.gz KIUVNMWAKOYBGZ-IRXDYDNUSA-N 2 0 332.488 3.010 20 0 EGADRP [NH3+]CC1CCC([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000422800034 309368996 /nfs/dbraw/zinc/36/89/96/309368996.db2.gz ZEKLLIZVYRIGCS-UHFFFAOYSA-N 2 0 344.499 3.377 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)c1 ZINC000422812672 309369790 /nfs/dbraw/zinc/36/97/90/309369790.db2.gz YEFFFBJRQBJRPV-PCCBWWKXSA-N 2 0 338.499 3.332 20 0 EGADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422821380 309370333 /nfs/dbraw/zinc/37/03/33/309370333.db2.gz VWBWPTUTSNJWNP-VAMGGRTRSA-N 2 0 333.495 3.158 20 0 EGADRP C[C@H](NCCC[NH+](Cc1ccccc1)Cc1ccccc1)C1C[NH2+]C1 ZINC000422828096 309370586 /nfs/dbraw/zinc/37/05/86/309370586.db2.gz STSJGEPBTZFNRZ-IBGZPJMESA-N 2 0 337.511 3.276 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422831213 309370950 /nfs/dbraw/zinc/37/09/50/309370950.db2.gz JJGSHWASBGAPJV-DXBBTUNJSA-N 2 0 343.559 3.450 20 0 EGADRP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422840017 309371368 /nfs/dbraw/zinc/37/13/68/309371368.db2.gz RXINPGVIHBTHAB-GDAAHCPNSA-N 2 0 333.907 3.429 20 0 EGADRP [NH3+][C@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000422848430 309371900 /nfs/dbraw/zinc/37/19/00/309371900.db2.gz TUORTNCSHACAMJ-FCHUYYIVSA-N 2 0 335.495 3.428 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(OCCC(C)C)c1 ZINC000422869104 309372974 /nfs/dbraw/zinc/37/29/74/309372974.db2.gz WDCYJMNIDIYLMW-YTQUADARSA-N 2 0 334.504 3.262 20 0 EGADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422875468 309373188 /nfs/dbraw/zinc/37/31/88/309373188.db2.gz CRLXOYMTSLCLGX-CEXWTWQISA-N 2 0 328.504 3.082 20 0 EGADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422874051 309373216 /nfs/dbraw/zinc/37/32/16/309373216.db2.gz BYUNZOOEEVZYID-SJORKVTESA-N 2 0 339.483 3.140 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882950 309373782 /nfs/dbraw/zinc/37/37/82/309373782.db2.gz PQUXZBBZCVXFCX-YOUFYPILSA-N 3 0 331.548 3.293 20 0 EGADRP COc1cc(C)ccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422881562 309373816 /nfs/dbraw/zinc/37/38/16/309373816.db2.gz YYCAQZTZZBIEIV-RXVVDRJESA-N 2 0 338.451 3.349 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422882341 309373905 /nfs/dbraw/zinc/37/39/05/309373905.db2.gz RZTKRVPBJYPBRK-NAZJXLNTSA-N 2 0 333.907 3.347 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)o1 ZINC000422884889 309374024 /nfs/dbraw/zinc/37/40/24/309374024.db2.gz XWMGLJXUDGEYKN-BEFAXECRSA-N 2 0 342.487 3.238 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)Cc2ccc(C)cc2C)CC[NH2+]CC1 ZINC000422886494 309374337 /nfs/dbraw/zinc/37/43/37/309374337.db2.gz JFLRODWYMSKMGF-ROUUACIJSA-N 2 0 346.515 3.145 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422889175 309374517 /nfs/dbraw/zinc/37/45/17/309374517.db2.gz FLGJWXHVKIHVNX-ICSRJNTNSA-N 3 0 333.520 3.014 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422892343 309374646 /nfs/dbraw/zinc/37/46/46/309374646.db2.gz MVEOYOGRSNHZHW-AWEZNQCLSA-N 2 0 329.419 3.295 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422905489 309375436 /nfs/dbraw/zinc/37/54/36/309375436.db2.gz ZDVDVOKBOMFOSV-BHDDXSALSA-N 2 0 341.543 3.470 20 0 EGADRP CCc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000422914539 309375928 /nfs/dbraw/zinc/37/59/28/309375928.db2.gz URLABTMPUAJRNZ-VAMGGRTRSA-N 2 0 341.499 3.020 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423378814 309397700 /nfs/dbraw/zinc/39/77/00/309397700.db2.gz WQSXWBLVFGXXPE-DDTOSNHZSA-N 2 0 329.257 3.379 20 0 EGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000422925378 309376495 /nfs/dbraw/zinc/37/64/95/309376495.db2.gz BOUNMMNMGRBTDV-DLBZAZTESA-N 2 0 344.842 3.388 20 0 EGADRP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422956874 309378049 /nfs/dbraw/zinc/37/80/49/309378049.db2.gz REACVWDTLHKVJR-OAGGEKHMSA-N 2 0 333.545 3.465 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422961528 309378414 /nfs/dbraw/zinc/37/84/14/309378414.db2.gz ZBHMZDUZDQZRGF-HUUCEWRRSA-N 2 0 334.851 3.182 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422964555 309378447 /nfs/dbraw/zinc/37/84/47/309378447.db2.gz ITQFVGCHMQRFOB-FOIQADDNSA-N 2 0 341.499 3.302 20 0 EGADRP Cn1cc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)cn1 ZINC000422965028 309378660 /nfs/dbraw/zinc/37/86/60/309378660.db2.gz NJSHIGGQNKGQEZ-NJDAHSKKSA-N 2 0 338.499 3.488 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422964899 309378829 /nfs/dbraw/zinc/37/88/29/309378829.db2.gz NAKXPFZPJQQQSZ-CABCVRRESA-N 2 0 326.282 3.111 20 0 EGADRP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422973773 309379100 /nfs/dbraw/zinc/37/91/00/309379100.db2.gz PLYSRYLWDAWNHB-GUDVDZBRSA-N 2 0 329.488 3.271 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000423011399 309380820 /nfs/dbraw/zinc/38/08/20/309380820.db2.gz ZKUFVMQLQDFYOG-RCCFBDPRSA-N 2 0 325.456 3.254 20 0 EGADRP COc1ccc(Oc2ccc(CC[NH2+][C@@H](C)C3C[NH2+]C3)cc2)cc1 ZINC000423010478 309380876 /nfs/dbraw/zinc/38/08/76/309380876.db2.gz GMLAUFKILKNFTF-HNNXBMFYSA-N 2 0 326.440 3.228 20 0 EGADRP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423014994 309380887 /nfs/dbraw/zinc/38/08/87/309380887.db2.gz JUIIPAUVHHOGEA-CFZJUORYSA-N 2 0 331.435 3.415 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000423013137 309380978 /nfs/dbraw/zinc/38/09/78/309380978.db2.gz MEGJXKOAYHCDAT-NJDAHSKKSA-N 2 0 338.499 3.488 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423016854 309381230 /nfs/dbraw/zinc/38/12/30/309381230.db2.gz UUIYTOQDHAMPFC-AWEZNQCLSA-N 2 0 343.471 3.149 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC[NH2+]CC1 ZINC000423022473 309381365 /nfs/dbraw/zinc/38/13/65/309381365.db2.gz HSIQSHXRDMGZAC-GJYPPUQNSA-N 2 0 344.499 3.221 20 0 EGADRP CC(C)N1CC[C@@H]([NH2+][C@H](C)CCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423036622 309382238 /nfs/dbraw/zinc/38/22/38/309382238.db2.gz ATPHNNBXNDRTAR-FSPWUOQZSA-N 2 0 325.447 3.206 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[NH2+]CC[C@H]3C)c2)CC1 ZINC000423036154 309382285 /nfs/dbraw/zinc/38/22/85/309382285.db2.gz ZZZXNEOFASTIPT-XLIONFOSSA-N 2 0 330.520 3.017 20 0 EGADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)[C@H]1CC[NH2+]C1 ZINC000423035499 309382302 /nfs/dbraw/zinc/38/23/02/309382302.db2.gz RNIKZMJCFJBZKW-RYUDHWBXSA-N 2 0 336.277 3.061 20 0 EGADRP CCC(CC)(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OC)c(OC)c1 ZINC000423046223 309382722 /nfs/dbraw/zinc/38/27/22/309382722.db2.gz FDZDSERQQBPIRJ-RDJZCZTQSA-N 2 0 334.504 3.492 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000423046909 309382862 /nfs/dbraw/zinc/38/28/62/309382862.db2.gz FITOCZCBYHQIOY-NBQZKYEYSA-N 2 0 326.488 3.191 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423049466 309383014 /nfs/dbraw/zinc/38/30/14/309383014.db2.gz XRWWHUMEDJYSNI-IAQYHMDHSA-N 2 0 344.286 3.206 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCc3sccc32)CC[NH2+]CC1 ZINC000423054391 309383307 /nfs/dbraw/zinc/38/33/07/309383307.db2.gz URQTUIFXZGKLGY-UKRRQHHQSA-N 2 0 336.501 3.037 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423094085 309385568 /nfs/dbraw/zinc/38/55/68/309385568.db2.gz JIAHKVFVFMITDQ-UUAYOZFRSA-N 2 0 342.405 3.293 20 0 EGADRP CC[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423094081 309385591 /nfs/dbraw/zinc/38/55/91/309385591.db2.gz JHVHJDGLTFYLAG-CVEARBPZSA-N 2 0 330.394 3.290 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423124612 309387108 /nfs/dbraw/zinc/38/71/08/309387108.db2.gz OVTJGHRQCCTMLG-FZMZJTMJSA-N 2 0 336.277 3.190 20 0 EGADRP COCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000423141474 309387917 /nfs/dbraw/zinc/38/79/17/309387917.db2.gz QGEZUCILVQQGNH-RXVVDRJESA-N 2 0 344.499 3.429 20 0 EGADRP Fc1cc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423146510 309388337 /nfs/dbraw/zinc/38/83/37/309388337.db2.gz AOUNJMIUYXHIAR-XYPHTWIQSA-N 2 0 326.843 3.368 20 0 EGADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000423148103 309388416 /nfs/dbraw/zinc/38/84/16/309388416.db2.gz UIMKIRPEMHECPU-DFQSSKMNSA-N 2 0 328.500 3.082 20 0 EGADRP CC(C)OCCOC1CC[NH+]([C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423152019 309388581 /nfs/dbraw/zinc/38/85/81/309388581.db2.gz FDLOEUJBRNGVPB-ZWKOTPCHSA-N 2 0 326.525 3.203 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423157829 309388637 /nfs/dbraw/zinc/38/86/37/309388637.db2.gz VYTTYJHKFJBSKH-NSHDSACASA-N 2 0 337.826 3.371 20 0 EGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423182660 309389275 /nfs/dbraw/zinc/38/92/75/309389275.db2.gz QXHKIGJJFXRBTO-MRXNPFEDSA-N 2 0 341.952 3.096 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000423181331 309389405 /nfs/dbraw/zinc/38/94/05/309389405.db2.gz OVBLJBFACRGBFR-LLVKDONJSA-N 2 0 334.266 3.078 20 0 EGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(SC2CCCC2)cc1 ZINC000423210821 309390491 /nfs/dbraw/zinc/39/04/91/309390491.db2.gz XQBJZTWGVOQDPE-INIZCTEOSA-N 2 0 333.545 3.277 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254405 309392512 /nfs/dbraw/zinc/39/25/12/309392512.db2.gz XYXBNIHSRZJVOO-NEPJUHHUSA-N 2 0 329.257 3.108 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423265638 309392968 /nfs/dbraw/zinc/39/29/68/309392968.db2.gz CNRBEMJGWQSLPE-GWCFXTLKSA-N 2 0 329.307 3.431 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423281181 309393701 /nfs/dbraw/zinc/39/37/01/309393701.db2.gz ASDKRHUUILPGFE-OAHLLOKOSA-N 2 0 325.294 3.414 20 0 EGADRP [NH3+]C[C@H](N[C@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423283037 309394016 /nfs/dbraw/zinc/39/40/16/309394016.db2.gz VSBAAAMWIYJFSC-KBPBESRZSA-N 2 0 329.669 3.417 20 0 EGADRP COCCC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000423289367 309394093 /nfs/dbraw/zinc/39/40/93/309394093.db2.gz XAEIGBHXCPEJNB-CQSZACIVSA-N 2 0 329.282 3.244 20 0 EGADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](C)C[NH3+])CCC3)cc1 ZINC000423297276 309394541 /nfs/dbraw/zinc/39/45/41/309394541.db2.gz JPOBBWNNWRXPQI-SWLSCSKDSA-N 2 0 331.485 3.381 20 0 EGADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000423314197 309394841 /nfs/dbraw/zinc/39/48/41/309394841.db2.gz VMCKEOQNRJSJMP-HXUWFJFHSA-N 2 0 343.515 3.196 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423315986 309394861 /nfs/dbraw/zinc/39/48/61/309394861.db2.gz JMJDTQFFTLSIAX-GOSISDBHSA-N 2 0 331.504 3.044 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000423314611 309394881 /nfs/dbraw/zinc/39/48/81/309394881.db2.gz YOKNORCXLFOVSV-YOEHRIQHSA-N 2 0 343.496 3.335 20 0 EGADRP CC1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000423325246 309395073 /nfs/dbraw/zinc/39/50/73/309395073.db2.gz JGXGZBFOUUHEGQ-ROUUACIJSA-N 2 0 336.907 3.409 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000423323528 309395121 /nfs/dbraw/zinc/39/51/21/309395121.db2.gz HZZHHVJONYCLGO-SJORKVTESA-N 2 0 345.512 3.193 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423321541 309395139 /nfs/dbraw/zinc/39/51/39/309395139.db2.gz GIRLJWDGLPYUFZ-IBGZPJMESA-N 2 0 345.531 3.341 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000423328127 309395311 /nfs/dbraw/zinc/39/53/11/309395311.db2.gz SBSXWNUJDAQEQV-INIZCTEOSA-N 2 0 329.488 3.044 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423338895 309395891 /nfs/dbraw/zinc/39/58/91/309395891.db2.gz BADJHZCYYRCHAO-OAHLLOKOSA-N 2 0 325.456 3.088 20 0 EGADRP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000423344549 309396262 /nfs/dbraw/zinc/39/62/62/309396262.db2.gz FJACDOIJOIWNLG-SFHVURJKSA-N 2 0 329.488 3.042 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H](C)[NH3+] ZINC000423347221 309396422 /nfs/dbraw/zinc/39/64/22/309396422.db2.gz ZWRCYFKQKOIAPD-QKLQHJQFSA-N 2 0 345.531 3.297 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccc5c(c4)C[NH2+]C5)[C@H]3C2)cc1 ZINC000423366188 309397133 /nfs/dbraw/zinc/39/71/33/309397133.db2.gz BQTHCQIIIMRYMN-PMVMPFDFSA-N 2 0 347.506 3.290 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423373497 309397522 /nfs/dbraw/zinc/39/75/22/309397522.db2.gz HPXUFTMBDGIPGL-CRAIPNDOSA-N 2 0 349.544 3.102 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423384776 309398066 /nfs/dbraw/zinc/39/80/66/309398066.db2.gz QKTPIUTUWMUVKS-ZTNFWEORSA-N 2 0 325.456 3.104 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423393748 309398357 /nfs/dbraw/zinc/39/83/57/309398357.db2.gz QZIIERVSJVYIKH-ZVZYQTTQSA-N 2 0 332.492 3.481 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC[NH2+]CC1 ZINC000423403988 309398679 /nfs/dbraw/zinc/39/86/79/309398679.db2.gz IBXZPONHZPCARW-LBPRGKRZSA-N 2 0 346.393 3.094 20 0 EGADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423405071 309398689 /nfs/dbraw/zinc/39/86/89/309398689.db2.gz JAGHHBCCFGWPGG-OAHLLOKOSA-N 2 0 342.430 3.345 20 0 EGADRP COCC1(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000423404428 309398755 /nfs/dbraw/zinc/39/87/55/309398755.db2.gz INNOPBCNZYMULK-ZDUSSCGKSA-N 2 0 330.394 3.372 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@@H](C)[NH3+] ZINC000423402906 309398775 /nfs/dbraw/zinc/39/87/75/309398775.db2.gz HJWHPEDZDBCJKQ-AOIWGVFYSA-N 2 0 345.531 3.386 20 0 EGADRP COCC1(C[NH2+][C@H](C)C2(c3ccccc3)CCCC2)CC[NH2+]CC1 ZINC000423409852 309399007 /nfs/dbraw/zinc/39/90/07/309399007.db2.gz QUHDINBASDPMFC-GOSISDBHSA-N 2 0 330.516 3.493 20 0 EGADRP C[N@@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000423426689 309399927 /nfs/dbraw/zinc/39/99/27/309399927.db2.gz NIHQGQRRAJCNCX-ILWGZMRPSA-N 2 0 335.495 3.299 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423471567 309401533 /nfs/dbraw/zinc/40/15/33/309401533.db2.gz MNBZYOYBOGFBCR-RBSFLKMASA-N 2 0 334.460 3.249 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000423488859 309402526 /nfs/dbraw/zinc/40/25/26/309402526.db2.gz FDXNFOCRRDBYNO-TYNCELHUSA-N 2 0 339.277 3.380 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)C1 ZINC000423502933 309403258 /nfs/dbraw/zinc/40/32/58/309403258.db2.gz FRMNLKYZNHXHGJ-KVJIRVJXSA-N 2 0 341.543 3.375 20 0 EGADRP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423540174 309405652 /nfs/dbraw/zinc/40/56/52/309405652.db2.gz QARUWTVQAKJKDV-INIZCTEOSA-N 2 0 326.362 3.472 20 0 EGADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1OCc1ccccc1 ZINC000423543638 309405863 /nfs/dbraw/zinc/40/58/63/309405863.db2.gz NOMSVANZMYSASK-WAPOTWQKSA-N 2 0 328.500 3.348 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc21 ZINC000423546966 309406009 /nfs/dbraw/zinc/40/60/09/309406009.db2.gz ZTPQVKFLNRVEQZ-OALUTQOASA-N 2 0 328.456 3.068 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000423854307 309416814 /nfs/dbraw/zinc/41/68/14/309416814.db2.gz VSFQLYILTYGFDQ-PMACEKPBSA-N 2 0 343.515 3.288 20 0 EGADRP CC[NH+]1CCC(CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424137947 309430400 /nfs/dbraw/zinc/43/04/00/309430400.db2.gz CPJSUSZGOZUTGY-IBGZPJMESA-N 2 0 337.552 3.303 20 0 EGADRP C[NH+](C)Cc1cccc(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000424140507 309430450 /nfs/dbraw/zinc/43/04/50/309430450.db2.gz WFRKVYZVYIPKSQ-HXUWFJFHSA-N 2 0 345.531 3.442 20 0 EGADRP Fc1cc(F)cc([C@H]2C[C@H]([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)C2)c1 ZINC000425894829 309494062 /nfs/dbraw/zinc/49/40/62/309494062.db2.gz HOAUNNSKNUJQFX-CZIWCDLHSA-N 2 0 347.409 3.456 20 0 EGADRP CCOC1(C)CC[NH+](C/C=C/C[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000428714460 309559768 /nfs/dbraw/zinc/55/97/68/309559768.db2.gz SROIKVWNGOKOMB-BQYQJAHWSA-N 2 0 338.536 3.325 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000430834425 309618905 /nfs/dbraw/zinc/61/89/05/309618905.db2.gz CWPYYTIGOKLHDD-VQTJNVASSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)cc1 ZINC000430920267 309620925 /nfs/dbraw/zinc/62/09/25/309620925.db2.gz OEAIGAREJCDSGY-CQSZACIVSA-N 2 0 328.460 3.419 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C[NH3+])C(C)C)c1ccccc1Cl ZINC000433133024 309679598 /nfs/dbraw/zinc/67/95/98/309679598.db2.gz HASNORUFKBKSEI-NVXWUHKLSA-N 2 0 339.911 3.070 20 0 EGADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433166515 309680474 /nfs/dbraw/zinc/68/04/74/309680474.db2.gz GAPRHRAXBKIWFG-AWEZNQCLSA-N 2 0 337.895 3.063 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000434788419 309720095 /nfs/dbraw/zinc/72/00/95/309720095.db2.gz YQKGPISQRYWNAC-IEBWSBKVSA-N 2 0 330.520 3.008 20 0 EGADRP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443604993 309904451 /nfs/dbraw/zinc/90/44/51/309904451.db2.gz UHDPJMXTVNJJPP-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CCc1ccccc1CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000444610831 309922836 /nfs/dbraw/zinc/92/28/36/309922836.db2.gz PYXYEUGYYAIHLA-PMACEKPBSA-N 2 0 343.559 3.282 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000448234157 310000724 /nfs/dbraw/zinc/00/07/24/310000724.db2.gz LKORZJNXALFOED-GBESFXJTSA-N 2 0 331.504 3.093 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449172742 310042260 /nfs/dbraw/zinc/04/22/60/310042260.db2.gz DBXVMSOYADISOA-HXUWFJFHSA-N 2 0 328.500 3.456 20 0 EGADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000449177025 310042380 /nfs/dbraw/zinc/04/23/80/310042380.db2.gz OGZFBCOZXZCDBD-SOLBZPMBSA-N 2 0 337.552 3.027 20 0 EGADRP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc(F)cc2)n1 ZINC000449178190 310042524 /nfs/dbraw/zinc/04/25/24/310042524.db2.gz WWFKDIPOAVTMON-ROUUACIJSA-N 2 0 330.451 3.189 20 0 EGADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000449185069 310043067 /nfs/dbraw/zinc/04/30/67/310043067.db2.gz FTZGHSPMQUAZEK-XPGWFJOJSA-N 2 0 342.483 3.331 20 0 EGADRP CSCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000449188764 310043127 /nfs/dbraw/zinc/04/31/27/310043127.db2.gz KYLJCSBUWMZXSE-HWMSQKFYSA-N 2 0 340.577 3.266 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc2ccoc21 ZINC000449328798 310053972 /nfs/dbraw/zinc/05/39/72/310053972.db2.gz LJWSUWISDKWCCS-UHFFFAOYSA-N 2 0 329.488 3.282 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000449743691 310083708 /nfs/dbraw/zinc/08/37/08/310083708.db2.gz AIBXTZDWJCEXBT-UHFFFAOYSA-N 2 0 349.466 3.273 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@H](C)CCc2cccc(F)c2)CC1 ZINC000449747931 310084093 /nfs/dbraw/zinc/08/40/93/310084093.db2.gz YXNUTRUAOVDPTJ-QGZVFWFLSA-N 2 0 335.511 3.153 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450265290 310111865 /nfs/dbraw/zinc/11/18/65/310111865.db2.gz JDCWHUHFUNEKCN-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000450455752 310123818 /nfs/dbraw/zinc/12/38/18/310123818.db2.gz VWYNXCAKEBBGMZ-UHFFFAOYSA-N 2 0 332.488 3.212 20 0 EGADRP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450723343 310139285 /nfs/dbraw/zinc/13/92/85/310139285.db2.gz COIQIJSFHXZVCD-QUCCMNQESA-N 2 0 329.532 3.361 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)nc3ccccc23)CC1 ZINC000451976713 310206358 /nfs/dbraw/zinc/20/63/58/310206358.db2.gz CCOPDCHUVMTNFU-UHFFFAOYSA-N 2 0 340.515 3.049 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000451986390 310206635 /nfs/dbraw/zinc/20/66/35/310206635.db2.gz NGLDCCNKXNHWEE-FQEVSTJZSA-N 2 0 347.547 3.158 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)CO2 ZINC000453058720 310254760 /nfs/dbraw/zinc/25/47/60/310254760.db2.gz LLTUPBACBBWSGM-SJLPKXTDSA-N 2 0 332.488 3.243 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)CO2 ZINC000453058721 310254909 /nfs/dbraw/zinc/25/49/09/310254909.db2.gz LLTUPBACBBWSGM-WMZOPIPTSA-N 2 0 332.488 3.243 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)CO2 ZINC000453061395 310255312 /nfs/dbraw/zinc/25/53/12/310255312.db2.gz PCKFXNOESQGWJE-WMZOPIPTSA-N 2 0 332.488 3.100 20 0 EGADRP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453112431 310258653 /nfs/dbraw/zinc/25/86/53/310258653.db2.gz CYFXZYRHYQCUCY-HAGHYFMRSA-N 2 0 348.556 3.133 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOC1 ZINC000453134346 310260108 /nfs/dbraw/zinc/26/01/08/310260108.db2.gz ZMYCFXAYRNAUAY-XRXFAXGQSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453237361 310266023 /nfs/dbraw/zinc/26/60/23/310266023.db2.gz PUVRQHAAPFJHIM-WJMWBRGCSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)OCCOC1CC[NH+](C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000453382825 310273884 /nfs/dbraw/zinc/27/38/84/310273884.db2.gz YKNYCAOBRVXUNJ-UHFFFAOYSA-N 2 0 326.525 3.155 20 0 EGADRP Cn1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c(-c2ccc(F)cc2)n1 ZINC000453592863 310283303 /nfs/dbraw/zinc/28/33/03/310283303.db2.gz FQYQMMQUTJLRGC-UHFFFAOYSA-N 2 0 330.451 3.190 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453596635 310283474 /nfs/dbraw/zinc/28/34/74/310283474.db2.gz MCEZVXSAAQWPND-UHFFFAOYSA-N 2 0 328.460 3.049 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455894377 310381477 /nfs/dbraw/zinc/38/14/77/310381477.db2.gz CVOMICSPZHUWGZ-CCKFTAQKSA-N 2 0 344.503 3.086 20 0 EGADRP CC(C)(C)C1CC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459384672 310549115 /nfs/dbraw/zinc/54/91/15/310549115.db2.gz DPWJYZLVUGIBFF-UHFFFAOYSA-N 2 0 330.520 3.008 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@H]1SC ZINC000459434360 310552404 /nfs/dbraw/zinc/55/24/04/310552404.db2.gz UTPLIUUPSJBFQY-KZNAEPCWSA-N 2 0 328.566 3.243 20 0 EGADRP CC[C@@H](CO)[NH+]1CCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)CC1 ZINC000462945013 310607804 /nfs/dbraw/zinc/60/78/04/310607804.db2.gz ODXLILUFLXQURB-INIZCTEOSA-N 2 0 347.890 3.398 20 0 EGADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000463038595 310608599 /nfs/dbraw/zinc/60/85/99/310608599.db2.gz YEOTVLNUBBCQNY-UXHICEINSA-N 2 0 348.531 3.351 20 0 EGADRP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000474466315 310794028 /nfs/dbraw/zinc/79/40/28/310794028.db2.gz DYTLWZUXFMFWSD-MOPGFXCFSA-N 2 0 330.520 3.138 20 0 EGADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482237564 310928828 /nfs/dbraw/zinc/92/88/28/310928828.db2.gz FIWOMAWVHMUJKS-UXHICEINSA-N 2 0 345.531 3.282 20 0 EGADRP COCCSCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000487919374 311042818 /nfs/dbraw/zinc/04/28/18/311042818.db2.gz PRFUMAPPWQBKDE-ZWKOTPCHSA-N 2 0 328.566 3.343 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488358439 311062104 /nfs/dbraw/zinc/06/21/04/311062104.db2.gz XQQUDEXPCOPBIG-SFHVURJKSA-N 2 0 333.451 3.240 20 0 EGADRP Fc1cccc(CCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000489226188 311096232 /nfs/dbraw/zinc/09/62/32/311096232.db2.gz QCSIYWSCUKQGJH-UHFFFAOYSA-N 2 0 334.479 3.193 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000495803927 311613634 /nfs/dbraw/zinc/61/36/34/311613634.db2.gz MVKBFAASBUIZPR-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)COC(C)C)CC2)c1 ZINC000501473496 311946525 /nfs/dbraw/zinc/94/65/25/311946525.db2.gz OFJYQVUZMNXCET-FQEVSTJZSA-N 2 0 347.547 3.300 20 0 EGADRP C[NH+](C)CC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000506926425 312056078 /nfs/dbraw/zinc/05/60/78/312056078.db2.gz DVDOCBDIMBRMOH-UHFFFAOYSA-N 3 0 331.548 3.418 20 0 EGADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507485107 312074789 /nfs/dbraw/zinc/07/47/89/312074789.db2.gz KRWFVGYKAYSDIZ-OUJGAGHGSA-N 2 0 330.516 3.284 20 0 EGADRP COc1cc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000515146526 312267935 /nfs/dbraw/zinc/26/79/35/312267935.db2.gz WGWHZWBZMKFDPI-CYBMUJFWSA-N 2 0 328.403 3.118 20 0 EGADRP CCc1cccc2c(C3CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC3)c[nH]c21 ZINC000515178153 312269442 /nfs/dbraw/zinc/26/94/42/312269442.db2.gz HHCFOLZVMUCDQP-SFHVURJKSA-N 2 0 343.515 3.222 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cn2)c1 ZINC000516921223 312350953 /nfs/dbraw/zinc/35/09/53/312350953.db2.gz SDIPYGGVQIAJBZ-DNVCBOLYSA-N 2 0 341.455 3.360 20 0 EGADRP COc1cccc(C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C2CC2)c1 ZINC000517265543 312372414 /nfs/dbraw/zinc/37/24/14/312372414.db2.gz JXXXVNMFBIFSSW-IBGZPJMESA-N 2 0 348.556 3.433 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(C(F)F)cc3)ccn2)CC1 ZINC000526974602 312810695 /nfs/dbraw/zinc/81/06/95/312810695.db2.gz CMAIOBGBJHUMLN-UHFFFAOYSA-N 2 0 346.425 3.061 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527851884 312958201 /nfs/dbraw/zinc/95/82/01/312958201.db2.gz QDYYZIVYXQBHQJ-GOSISDBHSA-N 2 0 339.886 3.084 20 0 EGADRP OC1CC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000528017434 313000284 /nfs/dbraw/zinc/00/02/84/313000284.db2.gz GYPKENFGGIGPBK-SSXNTNPLSA-N 2 0 328.500 3.038 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000533783326 313933840 /nfs/dbraw/zinc/93/38/40/313933840.db2.gz LJGVHWYWOZPCRF-KRWDZBQOSA-N 2 0 335.561 3.477 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000535686425 314060061 /nfs/dbraw/zinc/06/00/61/314060061.db2.gz NDJQSFLRLFAVGD-LJQANCHMSA-N 2 0 335.923 3.335 20 0 EGADRP COc1cc2c(cc1CN(C)CC[C@H]1CCCC[N@@H+]1C)O[C@H](C)C2 ZINC000536678528 314138244 /nfs/dbraw/zinc/13/82/44/314138244.db2.gz CALXDVHZJXOMJC-CRAIPNDOSA-N 2 0 332.488 3.325 20 0 EGADRP CC(C)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000537343917 314175435 /nfs/dbraw/zinc/17/54/35/314175435.db2.gz NYRJOUGSCHZNEE-OXQOHEQNSA-N 2 0 329.488 3.355 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000537991486 314222401 /nfs/dbraw/zinc/22/24/01/314222401.db2.gz ORGRJJOBIBEKIB-PBFPGSCMSA-N 2 0 337.305 3.452 20 0 EGADRP Cc1ccc(OCCC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000538135882 314228939 /nfs/dbraw/zinc/22/89/39/314228939.db2.gz NJNQZKGOVCUBNT-UHFFFAOYSA-N 2 0 347.547 3.030 20 0 EGADRP CC[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000538724168 314270531 /nfs/dbraw/zinc/27/05/31/314270531.db2.gz WINMXIRCXWMMED-SBHAEUEKSA-N 2 0 329.532 3.138 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000539063873 314293869 /nfs/dbraw/zinc/29/38/69/314293869.db2.gz YGJXATVXXFGFIA-NJDAHSKKSA-N 2 0 328.500 3.495 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1)CC(C)C ZINC000539096273 314296263 /nfs/dbraw/zinc/29/62/63/314296263.db2.gz BXXDPIIATYQBOC-SFHVURJKSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000539407565 314312013 /nfs/dbraw/zinc/31/20/13/314312013.db2.gz NKHKDRRIBVQZFQ-YLJYHZDGSA-N 2 0 334.504 3.231 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000543600847 314639593 /nfs/dbraw/zinc/63/95/93/314639593.db2.gz JHQGTHJXGCMOKO-QPCUUSJWSA-N 2 0 333.564 3.209 20 0 EGADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000548634922 315029143 /nfs/dbraw/zinc/02/91/43/315029143.db2.gz JEUFDMPGTJKJOI-LTFPLMDUSA-N 2 0 328.500 3.036 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000548717435 315038731 /nfs/dbraw/zinc/03/87/31/315038731.db2.gz SJNCBJZWEIDUFD-LJQANCHMSA-N 2 0 335.536 3.118 20 0 EGADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](C3CCOCC3)CC2)c1C ZINC000548813213 315050935 /nfs/dbraw/zinc/05/09/35/315050935.db2.gz NHMRZCVHPRCZRW-UHFFFAOYSA-N 2 0 339.483 3.407 20 0 EGADRP C[C@H]1C[C@H](CCNC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000548875928 315057693 /nfs/dbraw/zinc/05/76/93/315057693.db2.gz ZNRRSCKRSSUEKE-ICSRJNTNSA-N 2 0 345.531 3.135 20 0 EGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000549796746 315104660 /nfs/dbraw/zinc/10/46/60/315104660.db2.gz HPHWVHDSWVAKJT-CTNGQTDRSA-N 2 0 348.506 3.173 20 0 EGADRP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000550832327 315135977 /nfs/dbraw/zinc/13/59/77/315135977.db2.gz FRCUJSIUNGPRQJ-LNLFQRSKSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550919010 315137785 /nfs/dbraw/zinc/13/77/85/315137785.db2.gz CBHDIGMGMJTNEY-RVKKMQEKSA-N 2 0 348.560 3.372 20 0 EGADRP Cc1ncc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000552066229 315195124 /nfs/dbraw/zinc/19/51/24/315195124.db2.gz AQTBQWIIHVCHIE-UHFFFAOYSA-N 2 0 340.471 3.023 20 0 EGADRP O[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000554390632 315315325 /nfs/dbraw/zinc/31/53/25/315315325.db2.gz MHIPBWDXQYJJNM-PFAUGDHASA-N 2 0 328.500 3.180 20 0 EGADRP CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000560528840 315703464 /nfs/dbraw/zinc/70/34/64/315703464.db2.gz RZLHZWVAPGIFCY-RTBURBONSA-N 2 0 331.548 3.419 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000562751919 315894045 /nfs/dbraw/zinc/89/40/45/315894045.db2.gz XZMMLVUJPDZIIX-AZUAARDMSA-N 2 0 332.488 3.194 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1 ZINC000563373750 316010061 /nfs/dbraw/zinc/01/00/61/316010061.db2.gz MFPLFZWAVQGPMI-UHFFFAOYSA-N 2 0 345.531 3.127 20 0 EGADRP COc1ccc([C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000563528274 316033376 /nfs/dbraw/zinc/03/33/76/316033376.db2.gz RMTZQFDMEVTNIG-UFYCRDLUSA-N 2 0 331.504 3.082 20 0 EGADRP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000564196194 316122377 /nfs/dbraw/zinc/12/23/77/316122377.db2.gz NHFNOGUWGJHJOD-IEBWSBKVSA-N 2 0 348.535 3.096 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000565082466 316262271 /nfs/dbraw/zinc/26/22/71/316262271.db2.gz DYZNCSCKWJACKD-BQJIDLTASA-N 2 0 341.499 3.139 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000565246202 316298833 /nfs/dbraw/zinc/29/88/33/316298833.db2.gz YVQAPYRTCKXVEC-GFCCVEGCSA-N 2 0 337.265 3.480 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565315063 316308674 /nfs/dbraw/zinc/30/86/74/316308674.db2.gz LIBULCGCKCMNGF-QUCCMNQESA-N 2 0 345.531 3.135 20 0 EGADRP Brc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000565539191 316337630 /nfs/dbraw/zinc/33/76/30/316337630.db2.gz KWCZGDLAHRWZFX-GFCCVEGCSA-N 2 0 329.307 3.332 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCN([C@@H](C)c4ccccc4)C3)cc12 ZINC000565674108 316355320 /nfs/dbraw/zinc/35/53/20/316355320.db2.gz GOOBHSIRNCMYFD-QFBILLFUSA-N 2 0 349.482 3.202 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2n[nH]cc2c1 ZINC000566088584 316414134 /nfs/dbraw/zinc/41/41/34/316414134.db2.gz FMPSZGDJWSPWGE-JBYOLUDKSA-N 2 0 348.450 3.469 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000566165900 316430015 /nfs/dbraw/zinc/43/00/15/316430015.db2.gz MFJQCKRFQARNQU-IBGZPJMESA-N 2 0 339.483 3.427 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000569590641 316935956 /nfs/dbraw/zinc/93/59/56/316935956.db2.gz NSQKJCPIOLCFPZ-KEYYUXOJSA-N 2 0 339.886 3.476 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000570088590 317005376 /nfs/dbraw/zinc/00/53/76/317005376.db2.gz JWTDDRGBXHXGJB-HZPDHXFCSA-N 2 0 339.911 3.083 20 0 EGADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570624657 317082872 /nfs/dbraw/zinc/08/28/72/317082872.db2.gz XIHYPKDNFMQZNI-ASUYLVSUSA-N 2 0 341.455 3.240 20 0 EGADRP CC[NH+]1C[C@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000570864444 317118787 /nfs/dbraw/zinc/11/87/87/317118787.db2.gz WGGZRIQHQAVRRR-ROUUACIJSA-N 2 0 343.515 3.227 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000572009956 317278855 /nfs/dbraw/zinc/27/88/55/317278855.db2.gz FHZLVVZPZSQBCV-DNVCBOLYSA-N 2 0 325.456 3.174 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000572106325 317291880 /nfs/dbraw/zinc/29/18/80/317291880.db2.gz QYDWLCMBEUNVMS-ACDBMABISA-N 2 0 345.531 3.134 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000572354932 317326315 /nfs/dbraw/zinc/32/63/15/317326315.db2.gz UTJPMWXRHKEOKX-BDAKNGLRSA-N 2 0 337.208 3.266 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)C1 ZINC000572617158 317366070 /nfs/dbraw/zinc/36/60/70/317366070.db2.gz TXIASFWFXGSOPP-RTBURBONSA-N 2 0 334.467 3.444 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)C1 ZINC000572617156 317366214 /nfs/dbraw/zinc/36/62/14/317366214.db2.gz TXIASFWFXGSOPP-OALUTQOASA-N 2 0 334.467 3.444 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1OCC(C)C ZINC000572960806 317416709 /nfs/dbraw/zinc/41/67/09/317416709.db2.gz PVFQEBYKXNYKBM-UHFFFAOYSA-N 2 0 328.456 3.479 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177902954 323347807 /nfs/dbraw/zinc/34/78/07/323347807.db2.gz KVNMSQFZPDPWPK-DVOMOZLQSA-N 2 0 330.394 3.403 20 0 EGADRP c1cn(-c2cccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)c2)cn1 ZINC000351085968 324166844 /nfs/dbraw/zinc/16/68/44/324166844.db2.gz LOKQIWLTXCDJIA-UHFFFAOYSA-N 2 0 328.335 3.237 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379665089 324239765 /nfs/dbraw/zinc/23/97/65/324239765.db2.gz RHRSWWJRAAAAJZ-VBSBHUPXSA-N 2 0 343.515 3.063 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](COC)c2cccc(Cl)c2F)CC1 ZINC000578389712 324961900 /nfs/dbraw/zinc/96/19/00/324961900.db2.gz ABNBVHVJXCNQOJ-MRXNPFEDSA-N 2 0 328.859 3.488 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000578880224 325032260 /nfs/dbraw/zinc/03/22/60/325032260.db2.gz CQDVKCHVAIARRU-NRFANRHFSA-N 2 0 326.484 3.207 20 0 EGADRP OCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCc2ccccc21 ZINC000579243720 325083100 /nfs/dbraw/zinc/08/31/00/325083100.db2.gz BUSIMULIELPDNJ-JOCHJYFZSA-N 2 0 336.479 3.204 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cn2)c1 ZINC000579252001 325085395 /nfs/dbraw/zinc/08/53/95/325085395.db2.gz QCRAJMOSNPOKMC-CVEARBPZSA-N 2 0 327.428 3.242 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579330312 325095604 /nfs/dbraw/zinc/09/56/04/325095604.db2.gz QJNUMVXHBQYKAX-QGZVFWFLSA-N 2 0 344.503 3.108 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000579469723 325115388 /nfs/dbraw/zinc/11/53/88/325115388.db2.gz NOFCNZVBCNGOSV-MRXNPFEDSA-N 2 0 344.503 3.310 20 0 EGADRP [NH3+]C1(c2noc(-c3ccccc3CC3CC[NH2+]CC3)n2)CCCCC1 ZINC000579581345 325130495 /nfs/dbraw/zinc/13/04/95/325130495.db2.gz RQURLLNDUVQPNJ-UHFFFAOYSA-N 2 0 340.471 3.397 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000579824600 325163726 /nfs/dbraw/zinc/16/37/26/325163726.db2.gz OBJLLUOSOWQFMX-OXQOHEQNSA-N 2 0 328.500 3.309 20 0 EGADRP CC(C)C[C@H](CNC(=O)CC1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000579828772 325164431 /nfs/dbraw/zinc/16/44/31/325164431.db2.gz PSMLGXXBMHDYBT-FXAWDEMLSA-N 2 0 345.531 3.258 20 0 EGADRP CC(C)[C@@H](NC1CC[NH+](C2CC2)CC1)c1nc(-c2ccncc2)no1 ZINC000580046246 325194926 /nfs/dbraw/zinc/19/49/26/325194926.db2.gz MBRVRJQQLWQVAC-QGZVFWFLSA-N 2 0 341.459 3.045 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000580772416 325294643 /nfs/dbraw/zinc/29/46/43/325294643.db2.gz YZDXMRNCOSLYNS-JFIYKMOQSA-N 2 0 331.504 3.010 20 0 EGADRP FC(F)(F)Oc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000583812265 325553360 /nfs/dbraw/zinc/55/33/60/325553360.db2.gz AAUGQQDGGRBJTN-HNNXBMFYSA-N 2 0 328.378 3.407 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180711536 455232266 /nfs/dbraw/zinc/23/22/66/455232266.db2.gz AWOYHFXAFUGGPB-UHFFFAOYSA-N 2 0 337.511 3.392 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000556952963 459036180 /nfs/dbraw/zinc/03/61/80/459036180.db2.gz CSDDLPOEENEGIL-RYUDHWBXSA-N 2 0 331.382 3.140 20 0 EGADRP O=C(CC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000238140452 455255986 /nfs/dbraw/zinc/25/59/86/455255986.db2.gz NDVCBACUHFFUEE-UHFFFAOYSA-N 2 0 343.515 3.069 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000158145601 455273902 /nfs/dbraw/zinc/27/39/02/455273902.db2.gz WYIUMJMBSNYZSX-INIZCTEOSA-N 2 0 335.923 3.236 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2([NH+](C)C)CC2)c1 ZINC000612168258 460558566 /nfs/dbraw/zinc/55/85/66/460558566.db2.gz ARXCFLFFCYQSAP-UHFFFAOYSA-N 2 0 331.504 3.019 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2coc(-c3cccc(OC)c3)n2)CC1 ZINC000631821831 460573319 /nfs/dbraw/zinc/57/33/19/460573319.db2.gz KGLCEYCTYLITKN-UHFFFAOYSA-N 2 0 329.444 3.172 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)CCO2 ZINC000181411932 455331129 /nfs/dbraw/zinc/33/11/29/455331129.db2.gz KGDDLVGSPBJYSN-BEVDRBHNSA-N 2 0 344.499 3.040 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000066960704 453890202 /nfs/dbraw/zinc/89/02/02/453890202.db2.gz NMPZNRMREKHPFN-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000075800823 453926738 /nfs/dbraw/zinc/92/67/38/453926738.db2.gz PYVJVYWXGDPEOT-UHFFFAOYSA-N 2 0 345.462 3.203 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@H](C)O1 ZINC000067452777 453931923 /nfs/dbraw/zinc/93/19/23/453931923.db2.gz QGCJHRJSAPFQGM-GASCZTMLSA-N 2 0 348.516 3.117 20 0 EGADRP C[N@@H+](CCC(=O)Nc1ccccc1Cl)CC[C@@H]1CCCC[NH+]1C ZINC000075861414 453933374 /nfs/dbraw/zinc/93/33/74/453933374.db2.gz IWJOTWSVFVEYGS-HNNXBMFYSA-N 2 0 337.895 3.475 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000089214670 454127064 /nfs/dbraw/zinc/12/70/64/454127064.db2.gz CFXCDAPUZQSRAY-INIZCTEOSA-N 2 0 327.476 3.426 20 0 EGADRP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843989 454151328 /nfs/dbraw/zinc/15/13/28/454151328.db2.gz WBQVIAUWKSRMMU-QGZVFWFLSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000089669143 454175521 /nfs/dbraw/zinc/17/55/21/454175521.db2.gz FIEDFRFFGQTYRJ-NVXWUHKLSA-N 2 0 344.528 3.458 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccco2)CC1 ZINC000089977338 454252242 /nfs/dbraw/zinc/25/22/42/454252242.db2.gz OPMJBLCLDKTVFV-QGZVFWFLSA-N 2 0 327.472 3.268 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000090038654 454265720 /nfs/dbraw/zinc/26/57/20/454265720.db2.gz DKPYKOZTSRHAAH-FQEVSTJZSA-N 2 0 339.483 3.219 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000090079247 454274296 /nfs/dbraw/zinc/27/42/96/454274296.db2.gz UCRIMPLZMXNLGN-FIXIBIHLSA-N 2 0 331.287 3.345 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000060368470 454282110 /nfs/dbraw/zinc/28/21/10/454282110.db2.gz OPEPKKXBBMGAQZ-RTBURBONSA-N 2 0 330.516 3.440 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000090408377 454301166 /nfs/dbraw/zinc/30/11/66/454301166.db2.gz ZCXNBLHOXOZKHW-DYESRHJHSA-N 2 0 329.532 3.413 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCSCc3ccccc3)C2)CC1 ZINC000090529719 454317736 /nfs/dbraw/zinc/31/77/36/454317736.db2.gz OAKPHGJXONDQRR-FQEVSTJZSA-N 2 0 347.572 3.022 20 0 EGADRP CC(C)[NH+](CCNC(=O)NCCC[N@H+](C)C1CCCCC1)C(C)C ZINC000060955632 454321903 /nfs/dbraw/zinc/32/19/03/454321903.db2.gz FUWKZGSRCIDMDZ-UHFFFAOYSA-N 2 0 340.556 3.059 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCCc2ccccc21)N1CC[NH+](C)CC1 ZINC000132316140 454329756 /nfs/dbraw/zinc/32/97/56/454329756.db2.gz VUWXSNWVLFXKCG-NHCUHLMSSA-N 2 0 329.532 3.316 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000072744436 454335536 /nfs/dbraw/zinc/33/55/36/454335536.db2.gz NCNWGQTUTKYKGH-OAQYLSRUSA-N 2 0 346.515 3.456 20 0 EGADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000090936463 454351992 /nfs/dbraw/zinc/35/19/92/454351992.db2.gz LHBASTMFKNJRCY-CGTJXYLNSA-N 2 0 332.488 3.099 20 0 EGADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120862949 454358264 /nfs/dbraw/zinc/35/82/64/454358264.db2.gz LWBCHMPRACHDIK-WBVHZDCISA-N 2 0 329.488 3.275 20 0 EGADRP CN(CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CCCC1 ZINC000133284166 454409154 /nfs/dbraw/zinc/40/91/54/454409154.db2.gz BEXSAWGFPDOCPH-UHFFFAOYSA-N 2 0 341.499 3.283 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000047973478 454425916 /nfs/dbraw/zinc/42/59/16/454425916.db2.gz MCGHQOFALWVGIA-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C[NH2+][C@@H](c1ccccc1F)C1CCCC1)N1CC[NH+](C)CC1 ZINC000091333411 454427940 /nfs/dbraw/zinc/42/79/40/454427940.db2.gz FYBRARYVHQWUGB-OXQOHEQNSA-N 2 0 333.495 3.283 20 0 EGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000121382327 454428736 /nfs/dbraw/zinc/42/87/36/454428736.db2.gz WBZYZQKMXHIOIK-QZTJIDSGSA-N 2 0 333.520 3.010 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000063749519 454444247 /nfs/dbraw/zinc/44/42/47/454444247.db2.gz ZYBNTZCLEKDLLO-ROUUACIJSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[NH+](CC)CC)CC2)o1 ZINC000049079802 454532619 /nfs/dbraw/zinc/53/26/19/454532619.db2.gz XKTTWFTWMUMQHF-UHFFFAOYSA-N 2 0 349.519 3.315 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1)C(C)C ZINC000103116599 454537429 /nfs/dbraw/zinc/53/74/29/454537429.db2.gz ZCTNYADJEXPHBJ-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C)c1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000122710046 454561452 /nfs/dbraw/zinc/56/14/52/454561452.db2.gz ZZKCBZTZUCWEFJ-IBGZPJMESA-N 2 0 330.516 3.443 20 0 EGADRP CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCC[NH2+]1 ZINC000134587060 454564405 /nfs/dbraw/zinc/56/44/05/454564405.db2.gz VSWKUKBZSXPUAL-LJQANCHMSA-N 2 0 347.528 3.015 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122878156 454577704 /nfs/dbraw/zinc/57/77/04/454577704.db2.gz POTIHIUJZONHNA-HLLBOEOZSA-N 2 0 332.488 3.054 20 0 EGADRP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123103999 454603389 /nfs/dbraw/zinc/60/33/89/454603389.db2.gz CFRRATJBVNMDED-ZCLUNYJNSA-N 2 0 329.532 3.142 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000092750101 454625463 /nfs/dbraw/zinc/62/54/63/454625463.db2.gz HOHFBOWYPNLLGI-OXQOHEQNSA-N 2 0 347.547 3.382 20 0 EGADRP C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820909 454640606 /nfs/dbraw/zinc/64/06/06/454640606.db2.gz NDYQKNPNCRAIQA-MRXNPFEDSA-N 2 0 347.503 3.350 20 0 EGADRP C[C@H](N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000635004041 460646156 /nfs/dbraw/zinc/64/61/56/460646156.db2.gz MSUNQOYFIDOGDF-MAZHCROVSA-N 2 0 329.410 3.038 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000052208692 454660651 /nfs/dbraw/zinc/66/06/51/454660651.db2.gz UVLUAJHYUGCYAW-UHFFFAOYSA-N 2 0 332.488 3.417 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635003360 460647014 /nfs/dbraw/zinc/64/70/14/460647014.db2.gz CJGRORNGJFSPFU-CUWPLCDZSA-N 2 0 339.483 3.481 20 0 EGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003923 460647215 /nfs/dbraw/zinc/64/72/15/460647215.db2.gz FZAQXDFIYNAFBB-NOLJZWGESA-N 2 0 325.294 3.487 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000123756344 454672657 /nfs/dbraw/zinc/67/26/57/454672657.db2.gz QXCMDJXELRQLJO-UHFFFAOYSA-N 2 0 338.499 3.162 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000152654438 454707274 /nfs/dbraw/zinc/70/72/74/454707274.db2.gz SXRAPJNJHKVVDK-GDZNZVCISA-N 2 0 337.895 3.295 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000152666098 454709408 /nfs/dbraw/zinc/70/94/08/454709408.db2.gz SJFQEXNMMIYOND-MBOZVWFJSA-N 2 0 346.515 3.062 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161664432 454712050 /nfs/dbraw/zinc/71/20/50/454712050.db2.gz ZSUHPQQPTABSFE-PBHICJAKSA-N 2 0 341.902 3.403 20 0 EGADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CC1 ZINC000136003721 454713736 /nfs/dbraw/zinc/71/37/36/454713736.db2.gz JAYJQWDOHWVZLB-UHFFFAOYSA-N 2 0 343.515 3.163 20 0 EGADRP COC(=O)c1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c[nH]1 ZINC000093844573 454739008 /nfs/dbraw/zinc/73/90/08/454739008.db2.gz GKHVBSGQLOVZLD-INIZCTEOSA-N 2 0 347.503 3.278 20 0 EGADRP CC[NH+]1CCN([C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000107369043 454753963 /nfs/dbraw/zinc/75/39/63/454753963.db2.gz NPPPYMNBSIVIKU-HNNXBMFYSA-N 2 0 342.314 3.205 20 0 EGADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000124705590 454762367 /nfs/dbraw/zinc/76/23/67/454762367.db2.gz JYXDSGAXWAPGDL-ZACQAIPSSA-N 2 0 326.488 3.227 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000635011615 460653040 /nfs/dbraw/zinc/65/30/40/460653040.db2.gz OGIYHWQWFITVFC-INIZCTEOSA-N 2 0 337.458 3.301 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](CCc3ccccc3F)CC2)C[C@H](C)O1 ZINC000137578378 454782116 /nfs/dbraw/zinc/78/21/16/454782116.db2.gz MWCJAPRRHXATJR-IRXDYDNUSA-N 2 0 334.479 3.189 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000162551385 454783325 /nfs/dbraw/zinc/78/33/25/454783325.db2.gz RVYKAQYPFJKMKF-OAQYLSRUSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000162647427 454790508 /nfs/dbraw/zinc/79/05/08/454790508.db2.gz DVHNCKXPKDNTRC-LLGFUMIMSA-N 2 0 346.515 3.201 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)cc1)C(C)C ZINC000108304236 454792148 /nfs/dbraw/zinc/79/21/48/454792148.db2.gz ZMZGQNVHBMOZPG-FQEVSTJZSA-N 2 0 343.515 3.131 20 0 EGADRP CCc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000125056811 454794312 /nfs/dbraw/zinc/79/43/12/454794312.db2.gz BRDHNXWFHVXGDB-QGZVFWFLSA-N 2 0 339.483 3.346 20 0 EGADRP CN(c1ccccc1C[N@H+](C)[C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000108368138 454794537 /nfs/dbraw/zinc/79/45/37/454794537.db2.gz XLRHBVUWGHLNAN-SFHVURJKSA-N 2 0 333.545 3.154 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC[C@@H]21 ZINC000139914548 454813125 /nfs/dbraw/zinc/81/31/25/454813125.db2.gz RMZBOLKZHSHBPB-YOEHRIQHSA-N 2 0 335.879 3.085 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000153793448 454833933 /nfs/dbraw/zinc/83/39/33/454833933.db2.gz KZCCDMRIKTWPRP-INIZCTEOSA-N 2 0 330.472 3.467 20 0 EGADRP C[C@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000163260605 454834736 /nfs/dbraw/zinc/83/47/36/454834736.db2.gz PDFWAEPOSAEXBH-QGZVKYPTSA-N 2 0 327.516 3.254 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCc2ccccc2)CC1 ZINC000153939078 454849897 /nfs/dbraw/zinc/84/98/97/454849897.db2.gz LMEZGCQXAHYWDP-BGYRXZFFSA-N 2 0 329.532 3.110 20 0 EGADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1SC ZINC000177326378 454852188 /nfs/dbraw/zinc/85/21/88/454852188.db2.gz QXMISERYGZTJDO-CVEARBPZSA-N 2 0 347.528 3.296 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000154322001 454884845 /nfs/dbraw/zinc/88/48/45/454884845.db2.gz OMVNHJNTJOWDDS-NRFANRHFSA-N 2 0 331.548 3.179 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000126386485 454890246 /nfs/dbraw/zinc/89/02/46/454890246.db2.gz LPBOZASTDRTVTB-UHFFFAOYSA-N 2 0 344.330 3.451 20 0 EGADRP CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000126416474 454892701 /nfs/dbraw/zinc/89/27/01/454892701.db2.gz LVFLJRWHSOWJGR-QFBILLFUSA-N 2 0 331.504 3.017 20 0 EGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1Cl ZINC000150803956 454895126 /nfs/dbraw/zinc/89/51/26/454895126.db2.gz BQJMGXMQJFCJTI-OAHLLOKOSA-N 2 0 335.879 3.086 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000154425034 454895771 /nfs/dbraw/zinc/89/57/71/454895771.db2.gz REMNIXKYVYZWFU-SFHVURJKSA-N 2 0 329.532 3.244 20 0 EGADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C(C)(C)O1 ZINC000165335405 454899300 /nfs/dbraw/zinc/89/93/00/454899300.db2.gz UPLFMLRPPVKDSB-OALUTQOASA-N 2 0 330.516 3.487 20 0 EGADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177751842 454899734 /nfs/dbraw/zinc/89/97/34/454899734.db2.gz HKYUZWXWYKYFRM-OKZBNKHCSA-N 2 0 334.504 3.201 20 0 EGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000154533391 454905106 /nfs/dbraw/zinc/90/51/06/454905106.db2.gz NPFXNIOZTOGKKP-HNNXBMFYSA-N 2 0 330.394 3.401 20 0 EGADRP CCOc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000126663212 454910002 /nfs/dbraw/zinc/91/00/02/454910002.db2.gz LOAGMYSCWDMVTE-LSDHHAIUSA-N 2 0 340.414 3.403 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)CC1 ZINC000126669854 454910301 /nfs/dbraw/zinc/91/03/01/454910301.db2.gz PWIXQQBSNRJGOL-QFIPXVFZSA-N 2 0 335.495 3.211 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)CC1 ZINC000126669574 454910893 /nfs/dbraw/zinc/91/08/93/454910893.db2.gz PWIXQQBSNRJGOL-JOCHJYFZSA-N 2 0 335.495 3.211 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000166368637 454911037 /nfs/dbraw/zinc/91/10/37/454911037.db2.gz RLNOAHLPZKLDQV-MOPGFXCFSA-N 2 0 331.504 3.237 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000166447849 454911716 /nfs/dbraw/zinc/91/17/16/454911716.db2.gz NIQUNMAKDQWDRP-WCIQWLHISA-N 2 0 349.563 3.397 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCN1C ZINC000154656131 454916486 /nfs/dbraw/zinc/91/64/86/454916486.db2.gz GKVMOPAUPYMRDC-WCQYABFASA-N 2 0 329.257 3.203 20 0 EGADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150950176 454917250 /nfs/dbraw/zinc/91/72/50/454917250.db2.gz FKQZDMDLBHNNIC-MGPUTAFESA-N 2 0 333.495 3.065 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150977194 454920780 /nfs/dbraw/zinc/92/07/80/454920780.db2.gz XGPOILWWRLZNDF-FQEVSTJZSA-N 2 0 335.511 3.008 20 0 EGADRP FC(F)Oc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000635011669 460656340 /nfs/dbraw/zinc/65/63/40/460656340.db2.gz GEBWCDYUSPTUPA-SDDRHHMPSA-N 2 0 330.806 3.419 20 0 EGADRP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127609230 454981744 /nfs/dbraw/zinc/98/17/44/454981744.db2.gz CIBWCHHPZJVPII-IAGOWNOFSA-N 2 0 335.561 3.474 20 0 EGADRP CCCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000178906899 454989635 /nfs/dbraw/zinc/98/96/35/454989635.db2.gz MJEVGTKFWQCSQR-IBGZPJMESA-N 2 0 331.504 3.131 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370296 454992673 /nfs/dbraw/zinc/99/26/73/454992673.db2.gz XOQPTQXJQNWYOJ-BFQNTYOBSA-N 2 0 343.284 3.449 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000127766243 454995199 /nfs/dbraw/zinc/99/51/99/454995199.db2.gz JDGZVMWZMGZHOO-JKSUJKDBSA-N 2 0 344.528 3.097 20 0 EGADRP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000128062901 455022801 /nfs/dbraw/zinc/02/28/01/455022801.db2.gz IRQVXBKZZFBLEW-YSSFQJQWSA-N 2 0 334.479 3.287 20 0 EGADRP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000155626805 455024574 /nfs/dbraw/zinc/02/45/74/455024574.db2.gz YKCSEHAZHSZRPP-SJORKVTESA-N 2 0 335.561 3.475 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000171131641 455034550 /nfs/dbraw/zinc/03/45/50/455034550.db2.gz LCDVOZGSDOGHHV-OAHLLOKOSA-N 2 0 346.496 3.003 20 0 EGADRP C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151845064 455039216 /nfs/dbraw/zinc/03/92/16/455039216.db2.gz KEZPOZQBFQELEC-ROUUACIJSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccsc1 ZINC000155910614 455060657 /nfs/dbraw/zinc/06/06/57/455060657.db2.gz QOCYHMLVCOXYHD-QGZVFWFLSA-N 2 0 337.533 3.027 20 0 EGADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000179634924 455062467 /nfs/dbraw/zinc/06/24/67/455062467.db2.gz XFHNYZBFPMMLSR-SFHVURJKSA-N 2 0 334.467 3.409 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128589104 455070358 /nfs/dbraw/zinc/07/03/58/455070358.db2.gz IWSQYZMIJHZUAC-OAHLLOKOSA-N 2 0 339.911 3.027 20 0 EGADRP C[N@@H+]1CCCC[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623656873 460663606 /nfs/dbraw/zinc/66/36/06/460663606.db2.gz DNJXSSLOYMTIMG-IBGZPJMESA-N 2 0 347.522 3.154 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156873534 455154620 /nfs/dbraw/zinc/15/46/20/455154620.db2.gz YITNKIOWUZAOLT-KXBFYZLASA-N 2 0 348.512 3.247 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000157005626 455160894 /nfs/dbraw/zinc/16/08/94/455160894.db2.gz DUNVTUYXTGCENA-NQIIRXRSSA-N 2 0 329.532 3.491 20 0 EGADRP CN(C(=O)CCCCCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237291753 455169625 /nfs/dbraw/zinc/16/96/25/455169625.db2.gz IXKXUJLEKMXQGH-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H](C)C2 ZINC000180453015 455172735 /nfs/dbraw/zinc/17/27/35/455172735.db2.gz BYBHXMKKGJCCTM-UWJYYQICSA-N 2 0 329.532 3.092 20 0 EGADRP CC(C)Cn1ncnc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000182849161 455177195 /nfs/dbraw/zinc/17/71/95/455177195.db2.gz RBONPDCQBLKYJJ-GOSISDBHSA-N 2 0 347.551 3.411 20 0 EGADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157417039 455192373 /nfs/dbraw/zinc/19/23/73/455192373.db2.gz DUZODLZHFLWNPM-GOSISDBHSA-N 2 0 332.488 3.414 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2)C[C@H](C)O1 ZINC000237608228 455198886 /nfs/dbraw/zinc/19/88/86/455198886.db2.gz QUJRKOYGWYPHEN-IRXDYDNUSA-N 2 0 342.487 3.056 20 0 EGADRP CC(C)n1ncc2cc(C[NH+]3CCC(CC[NH+](C)C)CC3)cnc21 ZINC000157600294 455211214 /nfs/dbraw/zinc/21/12/14/455211214.db2.gz FPSJTMROWMETND-UHFFFAOYSA-N 2 0 329.492 3.176 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1(CC)CC ZINC000181660316 455370067 /nfs/dbraw/zinc/37/00/67/455370067.db2.gz FXHQOJWKRHYRKE-ZWKOTPCHSA-N 2 0 326.525 3.061 20 0 EGADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181720770 455376553 /nfs/dbraw/zinc/37/65/53/455376553.db2.gz LXBSKYLAGKWILY-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C12CCC2 ZINC000245838056 455383792 /nfs/dbraw/zinc/38/37/92/455383792.db2.gz CZNRNAHILJYGBH-NJDAHSKKSA-N 2 0 342.527 3.488 20 0 EGADRP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000245902035 455394652 /nfs/dbraw/zinc/39/46/52/455394652.db2.gz SKQHKSHQNNTWEV-OKZBNKHCSA-N 2 0 345.531 3.180 20 0 EGADRP O=C(CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000182279695 455479502 /nfs/dbraw/zinc/47/95/02/455479502.db2.gz WCSHBJSBKMKOQA-RTBURBONSA-N 2 0 330.472 3.117 20 0 EGADRP CC1(C)CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000191845091 455525076 /nfs/dbraw/zinc/52/50/76/455525076.db2.gz RWCVVFIFUAOGGN-IBGZPJMESA-N 2 0 343.515 3.067 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246879902 455533239 /nfs/dbraw/zinc/53/32/39/455533239.db2.gz GPGNCJDJTFEZJF-ZACQAIPSSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246889672 455533600 /nfs/dbraw/zinc/53/36/00/455533600.db2.gz DSUNOAMJWIFKFP-SQAAOVBZSA-N 2 0 329.532 3.215 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000246896038 455534448 /nfs/dbraw/zinc/53/44/48/455534448.db2.gz JVJMGJFZOORKTL-ICSRJNTNSA-N 2 0 345.531 3.260 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1Br ZINC000247044669 455550313 /nfs/dbraw/zinc/55/03/13/455550313.db2.gz OKLOCKJAPXDGCQ-YWPYICTPSA-N 2 0 341.293 3.276 20 0 EGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000182630598 455556710 /nfs/dbraw/zinc/55/67/10/455556710.db2.gz BMLAMYJCKGTSJL-MJGOQNOKSA-N 2 0 346.515 3.261 20 0 EGADRP CCC(CC)(CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000601019982 460678100 /nfs/dbraw/zinc/67/81/00/460678100.db2.gz WRJCQRLZFKYXEM-KRWDZBQOSA-N 2 0 333.520 3.352 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000601021574 460679304 /nfs/dbraw/zinc/67/93/04/460679304.db2.gz DUSPGZXMSCIBAJ-DFQSSKMNSA-N 2 0 345.531 3.352 20 0 EGADRP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000268085167 455590307 /nfs/dbraw/zinc/59/03/07/455590307.db2.gz HLDYCHCNHZFUNZ-OAHLLOKOSA-N 2 0 345.512 3.060 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000271464782 455647333 /nfs/dbraw/zinc/64/73/33/455647333.db2.gz KVNKZKFPXYCULG-YWZLYKJASA-N 2 0 346.446 3.150 20 0 EGADRP CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000247978801 455664988 /nfs/dbraw/zinc/66/49/88/455664988.db2.gz LVFLJRWHSOWJGR-VQIMIIECSA-N 2 0 331.504 3.017 20 0 EGADRP CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000247978797 455665028 /nfs/dbraw/zinc/66/50/28/455665028.db2.gz LVFLJRWHSOWJGR-APWZRJJASA-N 2 0 331.504 3.017 20 0 EGADRP CCOc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC(F)F ZINC000192695132 455670554 /nfs/dbraw/zinc/67/05/54/455670554.db2.gz JUHSPOOVHGSFCD-GOOCMWNKSA-N 2 0 340.414 3.402 20 0 EGADRP c1cn(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)cn1 ZINC000192924228 455719141 /nfs/dbraw/zinc/71/91/41/455719141.db2.gz QYYMUHKADKVNMH-NRFANRHFSA-N 2 0 346.478 3.484 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635141257 460687787 /nfs/dbraw/zinc/68/77/87/460687787.db2.gz PRIRUARCIOAZKS-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000271701558 455726467 /nfs/dbraw/zinc/72/64/67/455726467.db2.gz LPBOJOCYLFFJMU-BQFCYCMXSA-N 2 0 349.494 3.186 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cncs2)cc1OC ZINC000268969063 455748964 /nfs/dbraw/zinc/74/89/64/455748964.db2.gz MHOJFXLWVWNHHZ-UHFFFAOYSA-N 2 0 349.500 3.162 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268984924 455754284 /nfs/dbraw/zinc/75/42/84/455754284.db2.gz DUYIYAIWFDRVKD-SJORKVTESA-N 2 0 334.504 3.012 20 0 EGADRP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C2CC2)cc1 ZINC000271791333 455761364 /nfs/dbraw/zinc/76/13/64/455761364.db2.gz WPCUQJMIXNOHJA-HKBOAZHASA-N 2 0 328.500 3.414 20 0 EGADRP C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000271822197 455774989 /nfs/dbraw/zinc/77/49/89/455774989.db2.gz CKAUQYAHVKEBTH-MSOLQXFVSA-N 2 0 348.531 3.466 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000186565324 455794087 /nfs/dbraw/zinc/79/40/87/455794087.db2.gz HHOBIVANNIPNJT-CABCVRRESA-N 2 0 343.437 3.382 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000186573619 455796680 /nfs/dbraw/zinc/79/66/80/455796680.db2.gz PCYXGBRLGNQFJR-RDTXWAMCSA-N 2 0 325.447 3.032 20 0 EGADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000186579245 455797877 /nfs/dbraw/zinc/79/78/77/455797877.db2.gz VFPBLDOXGXCMDX-KGLIPLIRSA-N 2 0 329.941 3.468 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000269196483 455808924 /nfs/dbraw/zinc/80/89/24/455808924.db2.gz VQHHPDPWWLSZJX-VQIMIIECSA-N 2 0 331.504 3.260 20 0 EGADRP CCn1cc(CC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000285236635 455810519 /nfs/dbraw/zinc/81/05/19/455810519.db2.gz YJDFTLZKPLAOCS-QZTJIDSGSA-N 2 0 340.515 3.192 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278297399 455810995 /nfs/dbraw/zinc/81/09/95/455810995.db2.gz CJKXQPQVJBWBJH-UHFFFAOYSA-N 2 0 331.479 3.390 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)c1 ZINC000285386485 455835079 /nfs/dbraw/zinc/83/50/79/455835079.db2.gz WPBVHGRHIGQMFY-INIZCTEOSA-N 2 0 329.492 3.032 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409147 455839914 /nfs/dbraw/zinc/83/99/14/455839914.db2.gz DABVKKQUFOCKKK-YADHBBJMSA-N 2 0 336.479 3.318 20 0 EGADRP Fc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285448591 455847856 /nfs/dbraw/zinc/84/78/56/455847856.db2.gz GEGMDWJTFGKVAU-HXUWFJFHSA-N 2 0 325.431 3.319 20 0 EGADRP Cc1cnccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285572519 455872496 /nfs/dbraw/zinc/87/24/96/455872496.db2.gz WGQJSXZYJIBLHS-INIZCTEOSA-N 2 0 345.393 3.486 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285769254 455912009 /nfs/dbraw/zinc/91/20/09/455912009.db2.gz SRODUHMTVLQJQY-JKSUJKDBSA-N 2 0 345.487 3.180 20 0 EGADRP CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000261634374 455918752 /nfs/dbraw/zinc/91/87/52/455918752.db2.gz HYHYAJAFGCEOCK-UHFFFAOYSA-N 2 0 344.286 3.396 20 0 EGADRP CO[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000261643588 455920212 /nfs/dbraw/zinc/92/02/12/455920212.db2.gz IPAIXSABVPIEBU-HKUYNNGSSA-N 2 0 326.440 3.417 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261780644 455945742 /nfs/dbraw/zinc/94/57/42/455945742.db2.gz MYOZRZWJCUZMGH-OAQYLSRUSA-N 2 0 339.483 3.448 20 0 EGADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000261827379 455954966 /nfs/dbraw/zinc/95/49/66/455954966.db2.gz ITTSSIQXRYBTSF-CQSZACIVSA-N 2 0 337.305 3.412 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000261840004 455957157 /nfs/dbraw/zinc/95/71/57/455957157.db2.gz YMKPAHVENCGKQP-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP Fc1cccc(-c2noc([C@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)n2)c1 ZINC000261852893 455959621 /nfs/dbraw/zinc/95/96/21/455959621.db2.gz VQRIUJYBLDUSKC-INIZCTEOSA-N 2 0 344.434 3.055 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000261886098 455966106 /nfs/dbraw/zinc/96/61/06/455966106.db2.gz ZRQCCLPYTMMPQU-PKOBYXMFSA-N 2 0 329.488 3.171 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272502912 455973311 /nfs/dbraw/zinc/97/33/11/455973311.db2.gz LNFFQACZUNRIMI-GGPKGHCWSA-N 2 0 326.488 3.162 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000261946452 455975470 /nfs/dbraw/zinc/97/54/70/455975470.db2.gz MIPSSRMQTHUBKY-NSHDSACASA-N 2 0 344.286 3.381 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272535365 455986155 /nfs/dbraw/zinc/98/61/55/455986155.db2.gz REJKRUFLZMEVEV-LDQXTDLNSA-N 2 0 342.458 3.359 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000272588839 456004009 /nfs/dbraw/zinc/00/40/09/456004009.db2.gz RQXBOJWONGILBR-UAFMIMERSA-N 2 0 340.467 3.122 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262165793 456006539 /nfs/dbraw/zinc/00/65/39/456006539.db2.gz VYDRAERSDUVVCN-OXQOHEQNSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262304158 456022383 /nfs/dbraw/zinc/02/23/83/456022383.db2.gz RARVIZCHMQHGHH-HLIPFELVSA-N 2 0 343.515 3.052 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1)C(C)C ZINC000272640816 456023047 /nfs/dbraw/zinc/02/30/47/456023047.db2.gz OHKWAARXWDTGMA-ICSRJNTNSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)(C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C[NH+]1CCCC1 ZINC000280664266 456025664 /nfs/dbraw/zinc/02/56/64/456025664.db2.gz TULVSWHIRYBVGY-UHFFFAOYSA-N 2 0 347.894 3.132 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000262339081 456027403 /nfs/dbraw/zinc/02/74/03/456027403.db2.gz ZZWZKOPURFAAPP-KBAYOESNSA-N 2 0 349.906 3.111 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000272717542 456050970 /nfs/dbraw/zinc/05/09/70/456050970.db2.gz DKXMXAWIEUIQTP-MJGOQNOKSA-N 2 0 342.508 3.482 20 0 EGADRP CCC(CC)(CNC(=O)C1([NH3+])CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000262676368 456052273 /nfs/dbraw/zinc/05/22/73/456052273.db2.gz SAIOYNONYKIVTB-INIZCTEOSA-N 2 0 331.504 3.284 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262716400 456054810 /nfs/dbraw/zinc/05/48/10/456054810.db2.gz VSLOXNYUDLUZMB-HXUWFJFHSA-N 2 0 331.504 3.196 20 0 EGADRP C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000271002654 456093266 /nfs/dbraw/zinc/09/32/66/456093266.db2.gz KOIHIQSSEBSQCX-HNNXBMFYSA-N 2 0 342.487 3.188 20 0 EGADRP CSC1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000272863816 456095238 /nfs/dbraw/zinc/09/52/38/456095238.db2.gz VGSRDMVTBQUMMH-IEBWSBKVSA-N 2 0 348.556 3.399 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000263308783 456124032 /nfs/dbraw/zinc/12/40/32/456124032.db2.gz YGSRGQIFDDZRPS-XLBJILASSA-N 2 0 343.515 3.063 20 0 EGADRP COc1ccccc1-n1nccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000281266673 456184316 /nfs/dbraw/zinc/18/43/16/456184316.db2.gz YGFBUTOXXWVULM-UHFFFAOYSA-N 2 0 342.487 3.045 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273138666 456189455 /nfs/dbraw/zinc/18/94/55/456189455.db2.gz DJSGPZFQZGJGDG-QFBILLFUSA-N 2 0 347.547 3.236 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccccc1 ZINC000236831963 456190133 /nfs/dbraw/zinc/19/01/33/456190133.db2.gz QOOYRFJFLWUMLL-FPOVZHCZSA-N 2 0 339.483 3.060 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000301762333 456207639 /nfs/dbraw/zinc/20/76/39/456207639.db2.gz NESUWFXNJLJNAJ-IAGOWNOFSA-N 2 0 339.524 3.096 20 0 EGADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC000297597022 456260277 /nfs/dbraw/zinc/26/02/77/456260277.db2.gz UABWNZJEEBKJGP-ILWGZMRPSA-N 3 0 346.478 3.335 20 0 EGADRP Cc1ccc(O[C@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297759742 456289006 /nfs/dbraw/zinc/28/90/06/456289006.db2.gz UVMAQRHLIOCCLV-QGZVFWFLSA-N 2 0 325.456 3.416 20 0 EGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc21 ZINC000347662252 456289969 /nfs/dbraw/zinc/28/99/69/456289969.db2.gz ZEINJOMEIAGGKZ-UHFFFAOYSA-N 2 0 348.450 3.058 20 0 EGADRP CN(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000297829186 456303839 /nfs/dbraw/zinc/30/38/39/456303839.db2.gz ZNTFYGDYNRBSGA-QGZVFWFLSA-N 2 0 330.501 3.004 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cncc(Br)c3)C2)CC1 ZINC000290364841 456307335 /nfs/dbraw/zinc/30/73/35/456307335.db2.gz HCQVPITWGYZMMM-HNNXBMFYSA-N 2 0 338.293 3.008 20 0 EGADRP CCOC1CC([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000290385553 456313503 /nfs/dbraw/zinc/31/35/03/456313503.db2.gz IIXNJJUSHSMIOU-UHFFFAOYSA-N 2 0 345.531 3.216 20 0 EGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000340225608 456322948 /nfs/dbraw/zinc/32/29/48/456322948.db2.gz KNKWDMSLTAKSSB-IBGZPJMESA-N 2 0 343.515 3.181 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000290450346 456331214 /nfs/dbraw/zinc/33/12/14/456331214.db2.gz MILZNRILRPYRRM-NRFANRHFSA-N 2 0 338.499 3.095 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000275853015 456332358 /nfs/dbraw/zinc/33/23/58/456332358.db2.gz LJYPPPBIKJSTHQ-ZCNNSNEGSA-N 2 0 341.503 3.180 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824808 456340115 /nfs/dbraw/zinc/34/01/15/456340115.db2.gz NGOBKBJSLYUARB-FCHUYYIVSA-N 2 0 341.543 3.459 20 0 EGADRP CC(C)[NH+]1CCC(N(C)Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298000855 456341308 /nfs/dbraw/zinc/34/13/08/456341308.db2.gz ZNHSKUWDHLVLOP-GOSISDBHSA-N 2 0 345.531 3.216 20 0 EGADRP CCN1CCCC[C@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939539 456353963 /nfs/dbraw/zinc/35/39/63/456353963.db2.gz YROYKDYFBLYNCV-PMACEKPBSA-N 2 0 341.503 3.182 20 0 EGADRP CCCC[N@H+](C)CC1CCN(Cc2ncnn2-c2ccccc2)CC1 ZINC000281944376 456369095 /nfs/dbraw/zinc/36/90/95/456369095.db2.gz JCADQNDURWPWIH-UHFFFAOYSA-N 2 0 341.503 3.211 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@@H]1CN(CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051767 456372507 /nfs/dbraw/zinc/37/25/07/456372507.db2.gz SDLRLNPYXPGHAV-PWIZWCRZSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000352890780 456394173 /nfs/dbraw/zinc/39/41/73/456394173.db2.gz ALYSNUMUCMJHDD-LPHOPBHVSA-N 2 0 332.488 3.337 20 0 EGADRP c1cc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2o1 ZINC000347837448 456395325 /nfs/dbraw/zinc/39/53/25/456395325.db2.gz BBLFNTXIQDWYIP-UHFFFAOYSA-N 2 0 328.456 3.367 20 0 EGADRP CCN(CC)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000298228570 456397627 /nfs/dbraw/zinc/39/76/27/456397627.db2.gz BDGUQUZQNCTCAF-LJQANCHMSA-N 2 0 342.487 3.316 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298252731 456404954 /nfs/dbraw/zinc/40/49/54/456404954.db2.gz DOCFMGFCHJTOLF-GOSISDBHSA-N 3 0 330.520 3.152 20 0 EGADRP COc1cc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1C ZINC000298295453 456416554 /nfs/dbraw/zinc/41/65/54/456416554.db2.gz HILFONXESYXHJL-UHFFFAOYSA-N 2 0 325.456 3.200 20 0 EGADRP CCc1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000347870070 456416960 /nfs/dbraw/zinc/41/69/60/456416960.db2.gz FWOCXPKSXKRIGL-ROUUACIJSA-N 2 0 345.531 3.355 20 0 EGADRP CN1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340369590 456418361 /nfs/dbraw/zinc/41/83/61/456418361.db2.gz FJGMYLFCAMIFRL-CTNGQTDRSA-N 3 0 327.516 3.286 20 0 EGADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282203700 456441023 /nfs/dbraw/zinc/44/10/23/456441023.db2.gz GZIGIDLFYPXMIZ-MRXNPFEDSA-N 2 0 329.488 3.418 20 0 EGADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N(C)Cc1ccccc1 ZINC000298385496 456443236 /nfs/dbraw/zinc/44/32/36/456443236.db2.gz LDORAKLLMIOERF-GOSISDBHSA-N 2 0 338.499 3.161 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000353059498 456466855 /nfs/dbraw/zinc/46/68/55/456466855.db2.gz WNVXPLKHHFBRHZ-KJNZLNQQSA-N 2 0 328.500 3.364 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340455060 456469232 /nfs/dbraw/zinc/46/92/32/456469232.db2.gz QSADBAQOOGGQFX-XIRDDKMYSA-N 2 0 328.435 3.289 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OCC)CCCC2)[C@H](C)C1 ZINC000340466186 456475980 /nfs/dbraw/zinc/47/59/80/456475980.db2.gz PTRXKWDERUTZSU-MSOLQXFVSA-N 2 0 326.525 3.062 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1)C(C)C ZINC000348121850 456498572 /nfs/dbraw/zinc/49/85/72/456498572.db2.gz JKNMOWVQKLLIIV-QGZVFWFLSA-N 2 0 329.492 3.427 20 0 EGADRP CCOC(CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)OCC ZINC000276518253 456503127 /nfs/dbraw/zinc/50/31/27/456503127.db2.gz LWYXIUBMZGWNGM-INIZCTEOSA-N 2 0 338.492 3.067 20 0 EGADRP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000348138620 456510119 /nfs/dbraw/zinc/51/01/19/456510119.db2.gz FZMZNWADNGYCRU-DNVCBOLYSA-N 2 0 327.472 3.334 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353146768 456520503 /nfs/dbraw/zinc/52/05/03/456520503.db2.gz NCKQRZDXIHDRGG-XYPWUTKMSA-N 2 0 333.451 3.020 20 0 EGADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000282466256 456524421 /nfs/dbraw/zinc/52/44/21/456524421.db2.gz OZTAOGZXQYIFLJ-HOJAQTOUSA-N 2 0 329.532 3.359 20 0 EGADRP COc1ccnc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282515313 456538141 /nfs/dbraw/zinc/53/81/41/456538141.db2.gz OWKILVSGPOYTAF-FQEVSTJZSA-N 2 0 339.483 3.481 20 0 EGADRP CSC1(C[NH2+]Cc2cscc2Br)CC[NH+](C)CC1 ZINC000353185155 456545997 /nfs/dbraw/zinc/54/59/97/456545997.db2.gz JGAWNYDTXHTTOE-UHFFFAOYSA-N 2 0 349.363 3.428 20 0 EGADRP Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000276691102 456552667 /nfs/dbraw/zinc/55/26/67/456552667.db2.gz KPWRUUWUJHMMMZ-UHFFFAOYSA-N 2 0 326.488 3.299 20 0 EGADRP CSC1(C[NH2+]Cc2ccc(OCC(F)F)cc2)CC[NH+](C)CC1 ZINC000353222873 456569693 /nfs/dbraw/zinc/56/96/93/456569693.db2.gz RJFMMOLQCRWDFM-UHFFFAOYSA-N 2 0 344.471 3.248 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276838469 456594823 /nfs/dbraw/zinc/59/48/23/456594823.db2.gz XXUWEEZMOWKGHQ-UHFFFAOYSA-N 2 0 346.519 3.034 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc21 ZINC000282748223 456612963 /nfs/dbraw/zinc/61/29/63/456612963.db2.gz AOKCAGYFPBJNPR-MOPGFXCFSA-N 2 0 328.456 3.020 20 0 EGADRP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282800005 456628762 /nfs/dbraw/zinc/62/87/62/456628762.db2.gz NAWJLFQAYXSPCC-KRWDZBQOSA-N 2 0 326.488 3.169 20 0 EGADRP Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2cnn(C)c2)c1 ZINC000282822707 456636049 /nfs/dbraw/zinc/63/60/49/456636049.db2.gz PLTGMNRUVKEYCV-UHFFFAOYSA-N 2 0 326.488 3.169 20 0 EGADRP CN(c1ccccc1C[N@H+](C)CC[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000343492944 456657508 /nfs/dbraw/zinc/65/75/08/456657508.db2.gz OIKYXIWQCYKEED-FQEVSTJZSA-N 2 0 345.531 3.218 20 0 EGADRP CC(C)[C@@H](C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000325797438 456686789 /nfs/dbraw/zinc/68/67/89/456686789.db2.gz JJBZGEIUDQGZHB-RTWAWAEBSA-N 2 0 331.548 3.288 20 0 EGADRP Cc1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000353498647 456716705 /nfs/dbraw/zinc/71/67/05/456716705.db2.gz ASGSVJCOVQNZMB-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)ccn1 ZINC000277215080 456728105 /nfs/dbraw/zinc/72/81/05/456728105.db2.gz KRACZPJWJNGZEW-JKSUJKDBSA-N 2 0 337.533 3.032 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000291725570 456735146 /nfs/dbraw/zinc/73/51/46/456735146.db2.gz NFJCDNDVDQQADM-NHCUHLMSSA-N 2 0 328.500 3.033 20 0 EGADRP CC(C)COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353530001 456738676 /nfs/dbraw/zinc/73/86/76/456738676.db2.gz LGELHYYVIQNFNJ-UHFFFAOYSA-N 2 0 334.504 3.264 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000343632403 456759650 /nfs/dbraw/zinc/75/96/50/456759650.db2.gz AHFYSSVRTFPANH-KSZLIROESA-N 2 0 343.515 3.201 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353621330 456809795 /nfs/dbraw/zinc/80/97/95/456809795.db2.gz LZCZSHLQGXLYEW-SOLBZPMBSA-N 2 0 340.471 3.134 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000348676017 456810709 /nfs/dbraw/zinc/81/07/09/456810709.db2.gz BVEHLUZKYNUZJJ-BZSNNMDCSA-N 2 0 334.504 3.076 20 0 EGADRP CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000344267964 456813036 /nfs/dbraw/zinc/81/30/36/456813036.db2.gz YNEJDGVSVDBREQ-VQIMIIECSA-N 2 0 326.488 3.426 20 0 EGADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969404 456814894 /nfs/dbraw/zinc/81/48/94/456814894.db2.gz RYXNYDIPMPWCJQ-XIRDDKMYSA-N 2 0 342.405 3.155 20 0 EGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000338434435 456817205 /nfs/dbraw/zinc/81/72/05/456817205.db2.gz BMFRTFAFXQCDEW-ZWKOTPCHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000344438973 456828238 /nfs/dbraw/zinc/82/82/38/456828238.db2.gz KKKNGQJZLPNZGB-RTBURBONSA-N 2 0 333.520 3.162 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCC(F)(F)F)CC1 ZINC000344527149 456835577 /nfs/dbraw/zinc/83/55/77/456835577.db2.gz AMWPFFBUUAWXQD-UHFFFAOYSA-N 2 0 329.410 3.261 20 0 EGADRP CCO[C@H]1COCC[C@@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353670937 456844297 /nfs/dbraw/zinc/84/42/97/456844297.db2.gz BRRNKEYHMFJILO-JSRAGOMMSA-N 2 0 346.515 3.213 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000292108772 456856985 /nfs/dbraw/zinc/85/69/85/456856985.db2.gz PEVFJXIDGONNMR-MISYRCLQSA-N 2 0 343.515 3.030 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752087 456890018 /nfs/dbraw/zinc/89/00/18/456890018.db2.gz ZWTRDRUSUCXPFK-GOEBONIOSA-N 2 0 336.476 3.017 20 0 EGADRP COC1(CC[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000339012052 456899538 /nfs/dbraw/zinc/89/95/38/456899538.db2.gz HHRUTQWRUJVCDG-ROUUACIJSA-N 2 0 338.536 3.157 20 0 EGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000345155488 456945418 /nfs/dbraw/zinc/94/54/18/456945418.db2.gz IRFWHKFXWPWZEU-ZWKOTPCHSA-N 2 0 326.488 3.293 20 0 EGADRP CC[N@H+](CCOc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345196108 456963603 /nfs/dbraw/zinc/96/36/03/456963603.db2.gz DCYHIYFXNBDKHD-HNNXBMFYSA-N 2 0 341.293 3.292 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000341856686 456974158 /nfs/dbraw/zinc/97/41/58/456974158.db2.gz ZFRXDFULEFNEBX-VQIMIIECSA-N 2 0 329.488 3.055 20 0 EGADRP COc1ccc(CC[N@H+](CCn2ccnc2C)CC(C)C)cc1OC ZINC000346315499 457030314 /nfs/dbraw/zinc/03/03/14/457030314.db2.gz SMXZVUREPZLNMR-UHFFFAOYSA-N 2 0 345.487 3.409 20 0 EGADRP Cc1cc(N(C)C[C@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(C(C)C)n1 ZINC000362663361 457032351 /nfs/dbraw/zinc/03/23/51/457032351.db2.gz LFRJCKYWAYNCMF-MJGOQNOKSA-N 2 0 339.487 3.433 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000354178417 457114069 /nfs/dbraw/zinc/11/40/69/457114069.db2.gz WOVNBTYRXPKLDO-SFHVURJKSA-N 2 0 331.504 3.060 20 0 EGADRP Clc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc2c1OCCO2 ZINC000339507474 457128440 /nfs/dbraw/zinc/12/84/40/457128440.db2.gz QKWZUMZJUAHMIT-UHFFFAOYSA-N 2 0 338.879 3.467 20 0 EGADRP CC1=CC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000349972708 457128865 /nfs/dbraw/zinc/12/88/65/457128865.db2.gz MAEHKOSQSIDLKO-UHFFFAOYSA-N 2 0 341.499 3.054 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]21 ZINC000342141406 457132729 /nfs/dbraw/zinc/13/27/29/457132729.db2.gz POYXPOHXZPTPPZ-DZFGPLHGSA-N 2 0 337.467 3.220 20 0 EGADRP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000354272772 457167477 /nfs/dbraw/zinc/16/74/77/457167477.db2.gz QOEJSEMIJXVTBW-YLJYHZDGSA-N 2 0 345.531 3.354 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000346959052 457191879 /nfs/dbraw/zinc/19/18/79/457191879.db2.gz CUHYBKAJNIQKJM-ROUUACIJSA-N 2 0 345.531 3.276 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000354390089 457194765 /nfs/dbraw/zinc/19/47/65/457194765.db2.gz PDFNZQCEOBMVGG-PXNSSMCTSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000347039001 457198036 /nfs/dbraw/zinc/19/80/36/457198036.db2.gz ZLMCYOBMPFEYOV-QZTJIDSGSA-N 2 0 345.531 3.276 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1)CC1CC1 ZINC000356890469 457200579 /nfs/dbraw/zinc/20/05/79/457200579.db2.gz HAQVIWBZFDVTKP-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000350916224 457211105 /nfs/dbraw/zinc/21/11/05/457211105.db2.gz CYNOGDINSFPFJS-KRWDZBQOSA-N 2 0 331.504 3.212 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347095958 457227452 /nfs/dbraw/zinc/22/74/52/457227452.db2.gz IQHGYBDGHIBTPE-SFHVURJKSA-N 2 0 328.435 3.180 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000360057796 457231457 /nfs/dbraw/zinc/23/14/57/457231457.db2.gz VVBZLBILMKUYMP-KRWDZBQOSA-N 2 0 327.472 3.368 20 0 EGADRP COc1ccc(-c2noc([C@H](C)[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC000360128669 457268238 /nfs/dbraw/zinc/26/82/38/457268238.db2.gz IDUAHGABWZKJLO-AWEZNQCLSA-N 2 0 344.459 3.080 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000347211857 457290870 /nfs/dbraw/zinc/29/08/70/457290870.db2.gz PGSZFXIQZANHGW-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(-c2cnn(C)c2)c1 ZINC000357042497 457294484 /nfs/dbraw/zinc/29/44/84/457294484.db2.gz DXQXPGSBFOBTSN-SFHVURJKSA-N 2 0 338.499 3.217 20 0 EGADRP Cn1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000357052773 457299901 /nfs/dbraw/zinc/29/99/01/457299901.db2.gz OOHGZUUSCQVLCY-SFHVURJKSA-N 2 0 330.520 3.289 20 0 EGADRP CC(C)[C@@H]1C[NH+]([C@@H](C)CC[N@@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339835405 457300994 /nfs/dbraw/zinc/30/09/94/457300994.db2.gz XHKZPHGQFZEBGL-UFYCRDLUSA-N 2 0 340.552 3.259 20 0 EGADRP C[C@H](CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)OCc1ccccc1 ZINC000354727739 457316665 /nfs/dbraw/zinc/31/66/65/457316665.db2.gz HFORTDAZCYJCME-BVOGOJNSSA-N 2 0 346.515 3.165 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357109212 457327299 /nfs/dbraw/zinc/32/72/99/457327299.db2.gz WTHSTDNGQLTWLF-ROUUACIJSA-N 2 0 332.451 3.067 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360842161 457378988 /nfs/dbraw/zinc/37/89/88/457378988.db2.gz VOWNUAAPUMNSKJ-HXUWFJFHSA-N 2 0 329.532 3.416 20 0 EGADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000352496224 457415715 /nfs/dbraw/zinc/41/57/15/457415715.db2.gz SXQLZKTVQSEPMJ-HNNXBMFYSA-N 2 0 343.393 3.237 20 0 EGADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000369838534 457424219 /nfs/dbraw/zinc/42/42/19/457424219.db2.gz WNBFXKQNUVDCFS-HNNXBMFYSA-N 2 0 328.460 3.380 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000390721199 457439364 /nfs/dbraw/zinc/43/93/64/457439364.db2.gz FPXJDMGPDJLJES-KBPBESRZSA-N 2 0 327.513 3.141 20 0 EGADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000360944722 457451163 /nfs/dbraw/zinc/45/11/63/457451163.db2.gz AEHDTISJMFCQDV-KRWDZBQOSA-N 2 0 342.462 3.084 20 0 EGADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000393893078 457470189 /nfs/dbraw/zinc/47/01/89/457470189.db2.gz SLTDUMAVQGYACZ-IAGOWNOFSA-N 2 0 339.524 3.144 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000395653038 457478465 /nfs/dbraw/zinc/47/84/65/457478465.db2.gz YYNPQGLTZHWTTG-QXAKKESOSA-N 2 0 345.531 3.037 20 0 EGADRP CC(C)n1cncc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000425334894 457504846 /nfs/dbraw/zinc/50/48/46/457504846.db2.gz HPUCKHFAYDSBDK-QZTJIDSGSA-N 2 0 348.535 3.175 20 0 EGADRP C[N@H+](CCSCc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370033334 457511270 /nfs/dbraw/zinc/51/12/70/457511270.db2.gz ZCVDXPNIPGJYKJ-FQEVSTJZSA-N 2 0 347.572 3.020 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000374218661 457528396 /nfs/dbraw/zinc/52/83/96/457528396.db2.gz UEGXRSMCOXEHBL-OALUTQOASA-N 2 0 344.547 3.032 20 0 EGADRP CC(C)CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000370089750 457538292 /nfs/dbraw/zinc/53/82/92/457538292.db2.gz NWNXSFAPPDIWDQ-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000361077376 457568571 /nfs/dbraw/zinc/56/85/71/457568571.db2.gz AZBPZTNHRJTUEP-PMACEKPBSA-N 2 0 343.515 3.036 20 0 EGADRP CSC1(CNc2cc(C)[nH+]c3ccc(F)cc23)CC[NH+](C)CC1 ZINC000357565142 457598685 /nfs/dbraw/zinc/59/86/85/457598685.db2.gz JXBWWXGNOUFFBU-UHFFFAOYSA-N 2 0 333.476 3.344 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000364450952 457609001 /nfs/dbraw/zinc/60/90/01/457609001.db2.gz UPSXPTWMUOIQJF-SNRMKQJTSA-N 2 0 344.503 3.494 20 0 EGADRP CCOC(C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C)OCC ZINC000374518573 457646887 /nfs/dbraw/zinc/64/68/87/457646887.db2.gz HDHZSQAUJSQFAH-GOSISDBHSA-N 2 0 334.504 3.276 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Cl)c1 ZINC000370520008 457665352 /nfs/dbraw/zinc/66/53/52/457665352.db2.gz SRNCPHQSPUWCGD-UHFFFAOYSA-N 2 0 349.950 3.498 20 0 EGADRP CCN1C[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000358021154 457741919 /nfs/dbraw/zinc/74/19/19/457741919.db2.gz MKDVONUTLXCQCW-JXFKEZNVSA-N 2 0 326.488 3.043 20 0 EGADRP CCSCc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433152212 457766124 /nfs/dbraw/zinc/76/61/24/457766124.db2.gz QMIBJNVTETUUAX-UHFFFAOYSA-N 2 0 335.517 3.082 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Cl)cs3)CC2)CC1 ZINC000426157117 457779988 /nfs/dbraw/zinc/77/99/88/457779988.db2.gz PYEMEKXZQYWPKM-UHFFFAOYSA-N 2 0 341.952 3.251 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000433217790 457782527 /nfs/dbraw/zinc/78/25/27/457782527.db2.gz DFUPYEKQKHMXOX-LJQANCHMSA-N 2 0 329.488 3.484 20 0 EGADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358111825 457792237 /nfs/dbraw/zinc/79/22/37/457792237.db2.gz NCWSTWYHLQVGLA-ZWOKBUDYSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[NH+]1CCC(N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433304874 457804609 /nfs/dbraw/zinc/80/46/09/457804609.db2.gz OEEJCPHQWNRZGG-LJQANCHMSA-N 2 0 331.504 3.012 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358154993 457819756 /nfs/dbraw/zinc/81/97/56/457819756.db2.gz JJYZDLZZTSUSQX-GOEBONIOSA-N 2 0 330.501 3.068 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000358164658 457827979 /nfs/dbraw/zinc/82/79/79/457827979.db2.gz IHJWSMWHHIJHHW-KBPBESRZSA-N 2 0 336.430 3.294 20 0 EGADRP CC(C)C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411442665 457890183 /nfs/dbraw/zinc/89/01/83/457890183.db2.gz WYRMLAHZAHBGPL-HXUWFJFHSA-N 2 0 345.531 3.352 20 0 EGADRP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000358284916 457911293 /nfs/dbraw/zinc/91/12/93/457911293.db2.gz FTBFLJKHQXFXMQ-XUVXKRRUSA-N 2 0 344.499 3.040 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427124381 457947462 /nfs/dbraw/zinc/94/74/62/457947462.db2.gz QYYNEKXCUBQTSF-HKUYNNGSSA-N 2 0 332.451 3.209 20 0 EGADRP OC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1(F)F ZINC000411746026 457969479 /nfs/dbraw/zinc/96/94/79/457969479.db2.gz NSOKZWHVJSAPFD-GOSISDBHSA-N 2 0 338.442 3.122 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358449173 458010832 /nfs/dbraw/zinc/01/08/32/458010832.db2.gz SLGAPQPSEWUUDS-QRVBRYPASA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000362025922 458011500 /nfs/dbraw/zinc/01/15/00/458011500.db2.gz LNSDLAACHJCLPD-CRAIPNDOSA-N 2 0 332.492 3.085 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCCOc1ccccc1)C1CCOCC1 ZINC000362244870 458048970 /nfs/dbraw/zinc/04/89/70/458048970.db2.gz FZTNDGKSTKDUAP-LJQANCHMSA-N 2 0 346.515 3.421 20 0 EGADRP Cc1nccn1CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375755715 458050063 /nfs/dbraw/zinc/05/00/63/458050063.db2.gz UDPSABOXLVILAB-OAQYLSRUSA-N 3 0 338.499 3.180 20 0 EGADRP C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375818372 458080767 /nfs/dbraw/zinc/08/07/67/458080767.db2.gz WCRJDPQIHIZXMV-CDHQVMDDSA-N 2 0 347.934 3.285 20 0 EGADRP Cc1cnc([C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000428221681 458100457 /nfs/dbraw/zinc/10/04/57/458100457.db2.gz LFLDJMGVAKFGCG-FGTMMUONSA-N 2 0 346.519 3.057 20 0 EGADRP CCc1nc(C)c(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)o1 ZINC000428290022 458113593 /nfs/dbraw/zinc/11/35/93/458113593.db2.gz WBUGUKMSVROUEZ-UHFFFAOYSA-N 2 0 337.508 3.116 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000369199694 458120375 /nfs/dbraw/zinc/12/03/75/458120375.db2.gz ZGBMBDCCZDFBIA-UHFFFAOYSA-N 2 0 338.499 3.395 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000435372421 458122579 /nfs/dbraw/zinc/12/25/79/458122579.db2.gz APVOTJXZOQUZPQ-DOMZBBRYSA-N 2 0 332.879 3.312 20 0 EGADRP COc1c(Br)cccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000435373251 458125307 /nfs/dbraw/zinc/12/53/07/458125307.db2.gz DBHXHGFQGXMBKQ-LLVKDONJSA-N 2 0 327.266 3.017 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000369216481 458128084 /nfs/dbraw/zinc/12/80/84/458128084.db2.gz VQLJLCHTRGORBZ-RTWAWAEBSA-N 2 0 329.532 3.328 20 0 EGADRP CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000412229430 458136428 /nfs/dbraw/zinc/13/64/28/458136428.db2.gz JPVDSELUTPAJHY-QZTJIDSGSA-N 2 0 343.515 3.227 20 0 EGADRP C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435438562 458148441 /nfs/dbraw/zinc/14/84/41/458148441.db2.gz QBUGIDJZRUXODZ-ZDUSSCGKSA-N 2 0 334.357 3.341 20 0 EGADRP CC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435622621 458174789 /nfs/dbraw/zinc/17/47/89/458174789.db2.gz DWHNFULEDMDZGL-INIZCTEOSA-N 2 0 348.878 3.397 20 0 EGADRP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000358733683 458178083 /nfs/dbraw/zinc/17/80/83/458178083.db2.gz IBVXCABSTUWNCR-AZUAARDMSA-N 2 0 343.515 3.032 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](C(C)C)[C@H](C)c2ccccc2)CC1 ZINC000428862744 458224899 /nfs/dbraw/zinc/22/48/99/458224899.db2.gz OPBFXSLOZHDITB-QGZVFWFLSA-N 2 0 331.504 3.059 20 0 EGADRP CCCc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000376326483 458267597 /nfs/dbraw/zinc/26/75/97/458267597.db2.gz ZLWIQVQETKWNOJ-NQIIRXRSSA-N 2 0 329.532 3.097 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000429104578 458272159 /nfs/dbraw/zinc/27/21/59/458272159.db2.gz GLACJAOCPNTDHP-HXUWFJFHSA-N 2 0 339.483 3.348 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000436280515 458282769 /nfs/dbraw/zinc/28/27/69/458282769.db2.gz KVJZZWZSFCBUSU-UHFFFAOYSA-N 2 0 331.485 3.154 20 0 EGADRP Cn1cc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cccc(F)c2)cn1 ZINC000447582566 458316574 /nfs/dbraw/zinc/31/65/74/458316574.db2.gz XCUYXNYIPJXJSB-FQEVSTJZSA-N 2 0 342.462 3.113 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000447604237 458321006 /nfs/dbraw/zinc/32/10/06/458321006.db2.gz ZKNSYOKWWHSIFN-CQSZACIVSA-N 2 0 347.322 3.130 20 0 EGADRP CCN(CC)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000459366363 458345913 /nfs/dbraw/zinc/34/59/13/458345913.db2.gz CGPGBKXIDZVBDS-UHFFFAOYSA-N 2 0 339.487 3.081 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000376767423 458386639 /nfs/dbraw/zinc/38/66/39/458386639.db2.gz IKUDDVUOGHGVBU-UHFFFAOYSA-N 2 0 325.391 3.038 20 0 EGADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105823 458427582 /nfs/dbraw/zinc/42/75/82/458427582.db2.gz FGDNAVVRQAFSPP-QHAWAJNXSA-N 2 0 341.543 3.361 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000373207021 458429908 /nfs/dbraw/zinc/42/99/08/458429908.db2.gz CATXFAQCSSTVOP-FPOVZHCZSA-N 2 0 329.532 3.281 20 0 EGADRP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423438780 458433972 /nfs/dbraw/zinc/43/39/72/458433972.db2.gz NFSARMJWZBOUGI-VVHHDAOASA-N 2 0 332.463 3.271 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423455880 458435502 /nfs/dbraw/zinc/43/55/02/458435502.db2.gz FVKYCTWARRGBKM-SGHUZQDJSA-N 2 0 332.463 3.399 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423461758 458436333 /nfs/dbraw/zinc/43/63/33/458436333.db2.gz OHGMNPZVMJKIEP-DOOCLMKTSA-N 2 0 326.484 3.495 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000423466031 458436619 /nfs/dbraw/zinc/43/66/19/458436619.db2.gz SCUMUFFXYBDYJH-OUCADQQQSA-N 2 0 328.403 3.465 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(CO)c1 ZINC000423481982 458440014 /nfs/dbraw/zinc/44/00/14/458440014.db2.gz XGJGDYNPRCXXCI-PAXLWEDBSA-N 2 0 342.458 3.362 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423530385 458452826 /nfs/dbraw/zinc/45/28/26/458452826.db2.gz RHOUPEKKYMXHPI-HNNXBMFYSA-N 2 0 332.492 3.353 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531929 458453665 /nfs/dbraw/zinc/45/36/65/458453665.db2.gz QPBKXWCFOFXUPA-AGOPTVSRSA-N 2 0 335.495 3.167 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423539686 458454804 /nfs/dbraw/zinc/45/48/04/458454804.db2.gz PBLBNHFMHOOXSI-UHFFFAOYSA-N 2 0 333.907 3.204 20 0 EGADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423538331 458454843 /nfs/dbraw/zinc/45/48/43/458454843.db2.gz GDDJOZILZWHHOM-GNBUJSLZSA-N 2 0 326.484 3.367 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423554623 458456975 /nfs/dbraw/zinc/45/69/75/458456975.db2.gz WZQFZOLYKCJDEV-ABSDTBQOSA-N 2 0 347.934 3.282 20 0 EGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430547642 458459929 /nfs/dbraw/zinc/45/99/29/458459929.db2.gz FTWSNYPNQHFBTQ-OAHLLOKOSA-N 2 0 336.867 3.238 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430557772 458461243 /nfs/dbraw/zinc/46/12/43/458461243.db2.gz XBQKGFLVZZEGKO-QWHCGFSZSA-N 2 0 332.366 3.023 20 0 EGADRP COc1sc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000459733161 458462480 /nfs/dbraw/zinc/46/24/80/458462480.db2.gz NEMNPFWSVUCBNN-NSHDSACASA-N 2 0 347.322 3.341 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459744820 458465546 /nfs/dbraw/zinc/46/55/46/458465546.db2.gz XXVMLXZJMIDLQZ-FQEVSTJZSA-N 2 0 340.515 3.370 20 0 EGADRP C[NH2+]C[C@H]1CCCN([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612413 458472025 /nfs/dbraw/zinc/47/20/25/458472025.db2.gz RFECRGVXQYCDMA-ZIAGYGMSSA-N 2 0 332.423 3.177 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](CC)CC ZINC000430663167 458476529 /nfs/dbraw/zinc/47/65/29/458476529.db2.gz FMYKVZDEXWCVGV-YSIASYRMSA-N 2 0 345.531 3.276 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000459780950 458477565 /nfs/dbraw/zinc/47/75/65/458477565.db2.gz MAQZTJQINMNTLI-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423736772 458477637 /nfs/dbraw/zinc/47/76/37/458477637.db2.gz YYKXSSTXVQKRQC-VYMYIBDJSA-N 2 0 343.515 3.186 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000430772470 458490660 /nfs/dbraw/zinc/49/06/60/458490660.db2.gz BMWFYRYDFMBEEN-YTQUADARSA-N 2 0 337.552 3.029 20 0 EGADRP CCCN(C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1)C1CC[NH2+]CC1 ZINC000430848122 458498035 /nfs/dbraw/zinc/49/80/35/458498035.db2.gz BKBMFFIIQDOHRD-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000430928501 458506042 /nfs/dbraw/zinc/50/60/42/458506042.db2.gz UGJUHDIZRZFLGV-ILXRZTDVSA-N 2 0 343.471 3.058 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000437878889 458506382 /nfs/dbraw/zinc/50/63/82/458506382.db2.gz RGNYTRQTSVMUCW-UXHICEINSA-N 2 0 347.547 3.307 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000430930875 458507322 /nfs/dbraw/zinc/50/73/22/458507322.db2.gz ABEKINCJSCOWFB-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP CC(C)c1ccc(-c2noc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000431014213 458516195 /nfs/dbraw/zinc/51/61/95/458516195.db2.gz MGNUOGFVNBZBFW-UHFFFAOYSA-N 2 0 340.471 3.436 20 0 EGADRP Clc1ccc(Cl)c(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431038697 458520002 /nfs/dbraw/zinc/52/00/02/458520002.db2.gz OTMFPYNZSQYZQK-UHFFFAOYSA-N 2 0 329.271 3.448 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000377833672 458544823 /nfs/dbraw/zinc/54/48/23/458544823.db2.gz FNSPLBKXHJYHDA-SESVDKBCSA-N 2 0 344.499 3.161 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1)C(C)C ZINC000424063939 458549338 /nfs/dbraw/zinc/54/93/38/458549338.db2.gz DJJKRUDVYVXVQH-ZWOKBUDYSA-N 2 0 345.531 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424139860 458568200 /nfs/dbraw/zinc/56/82/00/458568200.db2.gz FPCQUOORZKBJKT-OALUTQOASA-N 2 0 337.552 3.158 20 0 EGADRP [NH3+]CCN(Cc1ccccc1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424161008 458573648 /nfs/dbraw/zinc/57/36/48/458573648.db2.gz XVKDPXIDFHQTBT-IBGZPJMESA-N 2 0 331.504 3.052 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)CC[C@@H]21 ZINC000424171851 458576462 /nfs/dbraw/zinc/57/64/62/458576462.db2.gz LKLIKJSRMOUCGH-QYZOEREBSA-N 2 0 335.536 3.007 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000431558928 458588955 /nfs/dbraw/zinc/58/89/55/458588955.db2.gz UGUYMLNQFKRBSY-VQTJNVASSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)Oc1ccc(C[N@H+](C)C2CCN(CCO)CC2)cc1Cl ZINC000493904641 458596795 /nfs/dbraw/zinc/59/67/95/458596795.db2.gz DVLQZRGHDMZHFO-UHFFFAOYSA-N 2 0 340.895 3.016 20 0 EGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431746268 458616835 /nfs/dbraw/zinc/61/68/35/458616835.db2.gz TXVODQNFSZOLPN-DMUMMCEESA-N 2 0 345.531 3.162 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424383809 458629671 /nfs/dbraw/zinc/62/96/71/458629671.db2.gz UOCJCSUTFCNCMZ-MRXNPFEDSA-N 2 0 332.488 3.448 20 0 EGADRP Cc1oc2ccccc2c1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424380906 458630607 /nfs/dbraw/zinc/63/06/07/458630607.db2.gz QGGBUZKTQYAMPJ-UHFFFAOYSA-N 2 0 336.439 3.378 20 0 EGADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000424388056 458631144 /nfs/dbraw/zinc/63/11/44/458631144.db2.gz ZBUQSIJKZHMIGS-HZPDHXFCSA-N 2 0 334.479 3.477 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000424417537 458638151 /nfs/dbraw/zinc/63/81/51/458638151.db2.gz AJCWXKLRDJMSSE-MRXNPFEDSA-N 2 0 340.471 3.096 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000424441232 458645153 /nfs/dbraw/zinc/64/51/53/458645153.db2.gz WLFJHSXUGGHELI-UHFFFAOYSA-N 2 0 332.492 3.231 20 0 EGADRP CO[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000462816061 458657174 /nfs/dbraw/zinc/65/71/74/458657174.db2.gz FPKHRBAIICRYGI-OYNPSCLESA-N 2 0 328.500 3.302 20 0 EGADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000530025199 458658210 /nfs/dbraw/zinc/65/82/10/458658210.db2.gz PLMCSCDYAJHMQF-FQEVSTJZSA-N 2 0 341.499 3.029 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462917436 458666719 /nfs/dbraw/zinc/66/67/19/458666719.db2.gz SXUYFQIZRANYHE-SFHVURJKSA-N 2 0 329.532 3.460 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000471595286 458701852 /nfs/dbraw/zinc/70/18/52/458701852.db2.gz SQFOQRISLJVKKZ-CVEARBPZSA-N 2 0 335.561 3.304 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000471604831 458703652 /nfs/dbraw/zinc/70/36/52/458703652.db2.gz DJTQHCCRWVVQPF-OFQRWUPVSA-N 2 0 339.574 3.289 20 0 EGADRP CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000494635237 458715052 /nfs/dbraw/zinc/71/50/52/458715052.db2.gz FVFQCNZTWYIZNF-HOJAQTOUSA-N 2 0 343.515 3.203 20 0 EGADRP C(c1nc(C2CCCC2)no1)C1CC[NH+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC000530213723 458717769 /nfs/dbraw/zinc/71/77/69/458717769.db2.gz VPZMUUJMIUBMON-QGZVFWFLSA-N 2 0 332.492 3.124 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000494647421 458718171 /nfs/dbraw/zinc/71/81/71/458718171.db2.gz MAIMIVXVBQTKIR-UXHICEINSA-N 2 0 343.515 3.108 20 0 EGADRP Cc1ccc2ncc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000530240186 458727831 /nfs/dbraw/zinc/72/78/31/458727831.db2.gz AMJURCAKBVQGAA-FQEVSTJZSA-N 2 0 339.483 3.134 20 0 EGADRP Cc1nc2ccc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2s1 ZINC000530247544 458730007 /nfs/dbraw/zinc/73/00/07/458730007.db2.gz AKYXUARKWJZCGR-KRWDZBQOSA-N 2 0 345.512 3.195 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464094053 458731150 /nfs/dbraw/zinc/73/11/50/458731150.db2.gz QETHVEAPLPKZSZ-AABGKKOBSA-N 2 0 330.516 3.251 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cn2ccccc2n1 ZINC000547727805 458781011 /nfs/dbraw/zinc/78/10/11/458781011.db2.gz ZDTZJYYCENKLJW-MRXNPFEDSA-N 2 0 331.423 3.430 20 0 EGADRP COC(=O)c1cc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)oc1C ZINC000432939123 458816966 /nfs/dbraw/zinc/81/69/66/458816966.db2.gz NBNVHZYUCCXJAI-CQSZACIVSA-N 2 0 334.460 3.243 20 0 EGADRP COC(=O)CC1(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000440529832 458823110 /nfs/dbraw/zinc/82/31/10/458823110.db2.gz IHXQBPHDYSMTKA-YRWFTTLQSA-N 2 0 344.499 3.076 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000548064859 458831911 /nfs/dbraw/zinc/83/19/11/458831911.db2.gz JPSZQOMQPLUVFI-XLIONFOSSA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457048086 458847321 /nfs/dbraw/zinc/84/73/21/458847321.db2.gz DKDTYNTZFPPPHF-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CC(C)[C@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000474107609 458861805 /nfs/dbraw/zinc/86/18/05/458861805.db2.gz RPNUWGFTHYDYRV-NRFANRHFSA-N 2 0 329.532 3.140 20 0 EGADRP c1ccc(SCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000518432707 458866595 /nfs/dbraw/zinc/86/65/95/458866595.db2.gz AMVFYVPFFUPLNZ-UHFFFAOYSA-N 2 0 334.529 3.213 20 0 EGADRP CC(C)CCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000441332244 458922057 /nfs/dbraw/zinc/92/20/57/458922057.db2.gz JQGSQMWZPSVDEZ-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP CC(C)(C[NH2+]CCC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000566615989 458971534 /nfs/dbraw/zinc/97/15/34/458971534.db2.gz VWTTXYMUVQWKBJ-UHFFFAOYSA-N 2 0 337.895 3.380 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000531788246 458978163 /nfs/dbraw/zinc/97/81/63/458978163.db2.gz SZHRUCJVWDHCRG-UHFFFAOYSA-N 2 0 337.533 3.002 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000495879552 458990398 /nfs/dbraw/zinc/99/03/98/458990398.db2.gz VRGOZRKGZCWANY-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000577176746 458992212 /nfs/dbraw/zinc/99/22/12/458992212.db2.gz ZGYLQGZFDWWDTC-HXUWFJFHSA-N 2 0 337.467 3.272 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556870155 459025530 /nfs/dbraw/zinc/02/55/30/459025530.db2.gz DTVZKTBYCPHRAE-UVUJQTEASA-N 2 0 342.527 3.428 20 0 EGADRP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3C)CC1)C2 ZINC000532202528 459045612 /nfs/dbraw/zinc/04/56/12/459045612.db2.gz IGIWYFOKQNARMR-ZRCAFCQKSA-N 2 0 342.531 3.275 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532204857 459047580 /nfs/dbraw/zinc/04/75/80/459047580.db2.gz RRMLXDLAEYPRKE-CQSZACIVSA-N 2 0 327.472 3.239 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496064309 459052810 /nfs/dbraw/zinc/05/28/10/459052810.db2.gz JVSSUUDFZHOSRZ-ZACQAIPSSA-N 2 0 339.524 3.144 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000496126643 459077685 /nfs/dbraw/zinc/07/76/85/459077685.db2.gz FHBMXMGUBTZRTC-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056814 459079521 /nfs/dbraw/zinc/07/95/21/459079521.db2.gz DEKWPYLKXKQUIY-JKSUJKDBSA-N 2 0 325.456 3.228 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)c1 ZINC000443065047 459082523 /nfs/dbraw/zinc/08/25/23/459082523.db2.gz ZHZDWPGIUJOUOV-AWEZNQCLSA-N 2 0 331.485 3.380 20 0 EGADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765319 459091774 /nfs/dbraw/zinc/09/17/74/459091774.db2.gz YKNBZPPRMMGSQX-LPHOPBHVSA-N 2 0 337.467 3.028 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532491908 459098273 /nfs/dbraw/zinc/09/82/73/459098273.db2.gz NSCRDAOFFANLGV-HNNXBMFYSA-N 2 0 329.488 3.486 20 0 EGADRP CC(C)OC(=O)C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000594621808 459116555 /nfs/dbraw/zinc/11/65/55/459116555.db2.gz AIFCTBULRKWWSL-GOSISDBHSA-N 2 0 333.476 3.006 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+]CCC2CCCCCC2)CC1 ZINC000558401672 459153700 /nfs/dbraw/zinc/15/37/00/459153700.db2.gz SAOUWJYNSYGCHH-UHFFFAOYSA-N 2 0 330.520 3.284 20 0 EGADRP CCC[N@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)cc1 ZINC000479690676 459160169 /nfs/dbraw/zinc/16/01/69/459160169.db2.gz SYJXZIVYVUDEAG-UHFFFAOYSA-N 2 0 337.895 3.380 20 0 EGADRP Cc1cccc(CC[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000567760235 459162694 /nfs/dbraw/zinc/16/26/94/459162694.db2.gz OTZXQOWGILZAHB-OALUTQOASA-N 2 0 345.531 3.144 20 0 EGADRP CSC1(C[NH2+]Cc2cc3cc(Cl)cnc3o2)CC[NH+](C)CC1 ZINC000590654396 459172528 /nfs/dbraw/zinc/17/25/28/459172528.db2.gz NYFFLEZGOFUFSB-UHFFFAOYSA-N 2 0 339.892 3.398 20 0 EGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480725610 459214879 /nfs/dbraw/zinc/21/48/79/459214879.db2.gz YWQDGEBGDSYKOY-ZSYWTGECSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCCC1 ZINC000480900555 459221982 /nfs/dbraw/zinc/22/19/82/459221982.db2.gz RDUXTHZOUTVHBQ-MOPGFXCFSA-N 3 0 347.547 3.400 20 0 EGADRP c1cn(Cc2ccc(NCc3cnc([C@@H]4CCCO4)s3)nc2)cn1 ZINC000578612359 459230003 /nfs/dbraw/zinc/23/00/03/459230003.db2.gz WJIVQQVFGSEWOS-HNNXBMFYSA-N 2 0 341.440 3.247 20 0 EGADRP COC(=O)c1csc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000595102738 459245637 /nfs/dbraw/zinc/24/56/37/459245637.db2.gz JGNNJHUOCVJLJQ-ZDUSSCGKSA-N 2 0 336.501 3.307 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1)c1ccccc1 ZINC000568247922 459256914 /nfs/dbraw/zinc/25/69/14/459256914.db2.gz BBOCMRCWSWMGBG-SXLOBPIMSA-N 2 0 343.515 3.031 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)C1 ZINC000568249603 459258049 /nfs/dbraw/zinc/25/80/49/459258049.db2.gz VVEBFXKOSBVWLU-ZWKOTPCHSA-N 2 0 341.430 3.438 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH]c3nccnc23)C[N@@H+]1Cc1ccccc1 ZINC000568337490 459268955 /nfs/dbraw/zinc/26/89/55/459268955.db2.gz MNRSXOJRZAVGFF-FUHWJXTLSA-N 2 0 349.482 3.300 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC000595311526 459274967 /nfs/dbraw/zinc/27/49/67/459274967.db2.gz HOKAPPPHYRFDQZ-CEMLEFRQSA-N 2 0 341.543 3.282 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496677884 459283010 /nfs/dbraw/zinc/28/30/10/459283010.db2.gz NPTPNVXOEHTHIT-BBWFWOEESA-N 2 0 341.540 3.390 20 0 EGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000559894636 459283704 /nfs/dbraw/zinc/28/37/04/459283704.db2.gz MBBOKBADVIXKTO-IBGZPJMESA-N 2 0 332.488 3.232 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000496771336 459317402 /nfs/dbraw/zinc/31/74/02/459317402.db2.gz JTHICFIUMVDQEF-CVEARBPZSA-N 2 0 327.513 3.048 20 0 EGADRP C[NH+](C)Cc1ccccc1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000568846239 459353948 /nfs/dbraw/zinc/35/39/48/459353948.db2.gz NIBJWQDHJSWZAC-IBGZPJMESA-N 2 0 325.456 3.380 20 0 EGADRP CC(C)C[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)NC(=O)OC(C)(C)C ZINC000496918586 459370844 /nfs/dbraw/zinc/37/08/44/459370844.db2.gz FMYSOEYKSGGPED-DLBZAZTESA-N 2 0 341.540 3.246 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000483688225 459382057 /nfs/dbraw/zinc/38/20/57/459382057.db2.gz DFWZUUCUKTUCQQ-JXFKEZNVSA-N 2 0 334.504 3.483 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000496957068 459384951 /nfs/dbraw/zinc/38/49/51/459384951.db2.gz PYLIFZWILXSOJM-VQHPVUNQSA-N 2 0 339.524 3.142 20 0 EGADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000540985623 459415691 /nfs/dbraw/zinc/41/56/91/459415691.db2.gz XOFBATWBAURDRK-SFHVURJKSA-N 2 0 348.506 3.363 20 0 EGADRP Cc1nc2c(c(N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n1)CCCC2 ZINC000541090875 459426523 /nfs/dbraw/zinc/42/65/23/459426523.db2.gz WCNWXVGNXIAOMX-GOEBONIOSA-N 2 0 328.504 3.151 20 0 EGADRP Cc1cnccc1CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000569689753 459493452 /nfs/dbraw/zinc/49/34/52/459493452.db2.gz UZWUAIILKJMSPC-RTBURBONSA-N 2 0 345.531 3.144 20 0 EGADRP CC(C)c1ccc(CC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000561976724 459498303 /nfs/dbraw/zinc/49/83/03/459498303.db2.gz QPDFKWMKHKUFKN-UHFFFAOYSA-N 2 0 331.548 3.310 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000526055931 459541015 /nfs/dbraw/zinc/54/10/15/459541015.db2.gz MSKLDCHWAYBDSO-XQQSMPNESA-N 2 0 347.934 3.454 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000583692568 459581580 /nfs/dbraw/zinc/58/15/80/459581580.db2.gz NTKFCPRFTKUKMT-OAHLLOKOSA-N 2 0 343.393 3.366 20 0 EGADRP CN(C[C@@H](O)C[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000572992654 459608059 /nfs/dbraw/zinc/60/80/59/459608059.db2.gz XKQBNXHIOBISQE-INIZCTEOSA-N 2 0 344.421 3.028 20 0 EGADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000592491624 459613699 /nfs/dbraw/zinc/61/36/99/459613699.db2.gz BIWJNFKFJFQHAU-HUUCEWRRSA-N 2 0 336.501 3.055 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCCC23CCC3)c2ccccc2)CC1 ZINC000573058614 459616554 /nfs/dbraw/zinc/61/65/54/459616554.db2.gz BZKHFBQXHIBYHM-VQTJNVASSA-N 2 0 327.516 3.288 20 0 EGADRP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000592515936 459621530 /nfs/dbraw/zinc/62/15/30/459621530.db2.gz OMHLCXVIABBUIT-QYZOEREBSA-N 2 0 336.520 3.495 20 0 EGADRP CC[N@H+](CCC(C)(C)C(=O)OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000527511453 459651220 /nfs/dbraw/zinc/65/12/20/459651220.db2.gz QKVOSMVJZNMCTQ-IBGZPJMESA-N 2 0 346.515 3.420 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1ccsc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000527636421 459681097 /nfs/dbraw/zinc/68/10/97/459681097.db2.gz ONWKKJZOZKPSTB-AWEZNQCLSA-N 2 0 349.466 3.129 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000584220349 459684003 /nfs/dbraw/zinc/68/40/03/459684003.db2.gz JFQDSKOZTPWFMH-UHFFFAOYSA-N 2 0 344.503 3.062 20 0 EGADRP C[C@H]1C[N@H+](CCCNCc2ccsc2C(F)(F)F)CCCO1 ZINC000527702635 459706845 /nfs/dbraw/zinc/70/68/45/459706845.db2.gz ZKKOWXYWBQXKLC-LBPRGKRZSA-N 2 0 336.423 3.357 20 0 EGADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000563092906 459714167 /nfs/dbraw/zinc/71/41/67/459714167.db2.gz PDEFBNCISIHVNS-IEBWSBKVSA-N 2 0 329.488 3.171 20 0 EGADRP C[C@H](Cc1ccsc1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000544009983 459719864 /nfs/dbraw/zinc/71/98/64/459719864.db2.gz QXJWNYNWPYKBIF-KZNAEPCWSA-N 2 0 335.561 3.170 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC)CC2)c2ccccc21 ZINC000574174748 459789259 /nfs/dbraw/zinc/78/92/59/459789259.db2.gz JFJJTFLCCQUWIH-PMACEKPBSA-N 2 0 344.499 3.490 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000566226413 459826019 /nfs/dbraw/zinc/82/60/19/459826019.db2.gz GGZHCPZMOSEYAZ-DLBZAZTESA-N 2 0 346.519 3.208 20 0 EGADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574565348 459834638 /nfs/dbraw/zinc/83/46/38/459834638.db2.gz QQJFIFOAUUDTNQ-YOUFYPILSA-N 2 0 332.532 3.499 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(C(=O)OC)cc1 ZINC000593323644 459842180 /nfs/dbraw/zinc/84/21/80/459842180.db2.gz SBKUGEABAGBIMX-GOSISDBHSA-N 2 0 330.403 3.312 20 0 EGADRP CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@H](O)CN(C)C3CC3)C2)cc1 ZINC000574725723 459860946 /nfs/dbraw/zinc/86/09/46/459860946.db2.gz PJSIQWKVYZMTLY-WIYYLYMNSA-N 2 0 330.516 3.130 20 0 EGADRP COC(=O)CCCN1CCC([NH2+]Cc2cc3cc(C)ccc3o2)CC1 ZINC000597210632 459877777 /nfs/dbraw/zinc/87/77/77/459877777.db2.gz URMOGSQDWCGAFG-UHFFFAOYSA-N 2 0 344.455 3.248 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000574865854 459883834 /nfs/dbraw/zinc/88/38/34/459883834.db2.gz BDBJJBFSWKRIRI-UHFFFAOYSA-N 2 0 330.516 3.224 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000575052604 459917499 /nfs/dbraw/zinc/91/74/99/459917499.db2.gz CPGFOBREMNPNTR-RHSMWYFYSA-N 2 0 344.421 3.464 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](C2CCCC2)CC1)Nc1cccc(F)c1 ZINC000575116647 459930287 /nfs/dbraw/zinc/93/02/87/459930287.db2.gz HHUWIMBDSQOKJA-UHFFFAOYSA-N 2 0 333.451 3.151 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)o1 ZINC000618385444 459992009 /nfs/dbraw/zinc/99/20/09/459992009.db2.gz RYGNXOXJONZMLU-HZPDHXFCSA-N 2 0 335.492 3.114 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)o1 ZINC000618417289 460005957 /nfs/dbraw/zinc/00/59/57/460005957.db2.gz KQHYQPVMAVHJCF-UHFFFAOYSA-N 2 0 349.519 3.315 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621753432 460049534 /nfs/dbraw/zinc/04/95/34/460049534.db2.gz OJWPOWZIIFGTGL-LJQANCHMSA-N 2 0 329.488 3.196 20 0 EGADRP CSC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000602725823 460088392 /nfs/dbraw/zinc/08/83/92/460088392.db2.gz OJJREGRSAOEEQX-UHFFFAOYSA-N 2 0 334.529 3.489 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387122 460124202 /nfs/dbraw/zinc/12/42/02/460124202.db2.gz ARZSMSNXFILPJU-IAGOWNOFSA-N 2 0 326.488 3.478 20 0 EGADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000618990711 460244892 /nfs/dbraw/zinc/24/48/92/460244892.db2.gz NWVISAHODKHQDT-SFHVURJKSA-N 2 0 343.515 3.133 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cc(C)c(OC)cc3C)C2)CC1 ZINC000614962719 460253902 /nfs/dbraw/zinc/25/39/02/460253902.db2.gz FAYMOHYZCGJLTF-RTBURBONSA-N 2 0 345.531 3.085 20 0 EGADRP CCC(CC)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062319 460358647 /nfs/dbraw/zinc/35/86/47/460358647.db2.gz OQQYCSFRWAEHNA-MRXNPFEDSA-N 2 0 333.520 3.263 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000631579932 460455420 /nfs/dbraw/zinc/45/54/20/460455420.db2.gz CRNMNESNZWNUIM-ORYQWCPZSA-N 2 0 346.515 3.409 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000623412684 460534431 /nfs/dbraw/zinc/53/44/31/460534431.db2.gz XAFVNJIPSLHELM-CYBMUJFWSA-N 2 0 336.423 3.093 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635356614 460753790 /nfs/dbraw/zinc/75/37/90/460753790.db2.gz ZJAPREMPEULLNJ-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C12CCC[NH+](CCC1)C2 ZINC000635416740 460777891 /nfs/dbraw/zinc/77/78/91/460777891.db2.gz NHPZJJMHAUBHDS-UHFFFAOYSA-N 2 0 341.499 3.139 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635482066 460803277 /nfs/dbraw/zinc/80/32/77/460803277.db2.gz FWFVTJIAVJBOSP-HXUWFJFHSA-N 2 0 343.515 3.114 20 0 EGADRP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC(c2ccccc2)CC1 ZINC000629557827 460807865 /nfs/dbraw/zinc/80/78/65/460807865.db2.gz YSHIWCBLEDNEEC-RKDVLTNBSA-N 2 0 328.500 3.292 20 0 EGADRP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000607358150 460829314 /nfs/dbraw/zinc/82/93/14/460829314.db2.gz GNOPMOFBKAAZQW-CQSZACIVSA-N 2 0 330.394 3.358 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121559 460870388 /nfs/dbraw/zinc/87/03/88/460870388.db2.gz YBLGAUAHTXZHSH-MSOLQXFVSA-N 3 0 333.520 3.010 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000632952222 460904821 /nfs/dbraw/zinc/90/48/21/460904821.db2.gz ZLVOZRQZIQXOPB-UHFFFAOYSA-N 2 0 330.476 3.018 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)C[N@H+](C)C3CCC3)cc2)CC1 ZINC000629949623 460970389 /nfs/dbraw/zinc/97/03/89/460970389.db2.gz VZPWBZKJGCYCQN-UHFFFAOYSA-N 2 0 329.488 3.341 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCCC2 ZINC000608073298 460977706 /nfs/dbraw/zinc/97/77/06/460977706.db2.gz GWDXQLNYSMARQM-WOJBJXKFSA-N 2 0 346.515 3.454 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000628188300 461039227 /nfs/dbraw/zinc/03/92/27/461039227.db2.gz VRLSFMDZUGKCJB-UHFFFAOYSA-N 2 0 340.515 3.158 20 0 EGADRP Cc1ccc([C@H](C)C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000628210416 461050070 /nfs/dbraw/zinc/05/00/70/461050070.db2.gz WCFNZDKZAJUDTP-GOSISDBHSA-N 2 0 338.499 3.035 20 0 EGADRP CC(C)n1cc(C2=CCC[N@@H+]([C@@H]3CC[NH+](C)C(C)(C)C3)CC2)nn1 ZINC000628298777 461080169 /nfs/dbraw/zinc/08/01/69/461080169.db2.gz QZFWOBKWIXFBCS-QGZVFWFLSA-N 2 0 331.508 3.211 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000652348771 461142756 /nfs/dbraw/zinc/14/27/56/461142756.db2.gz QVMSIGAAGRQFRG-KURKYZTESA-N 2 0 341.455 3.060 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362748 461154322 /nfs/dbraw/zinc/15/43/22/461154322.db2.gz OCSJUWRBTFXXAB-DJIMGWMZSA-N 2 0 347.484 3.264 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)C1 ZINC000652362646 461155632 /nfs/dbraw/zinc/15/56/32/461155632.db2.gz MFCLHIOAWLKBKP-SQNIBIBYSA-N 2 0 341.455 3.202 20 0 EGADRP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363443 461157623 /nfs/dbraw/zinc/15/76/23/461157623.db2.gz DZGDMRKWAYZWIW-OLMNPRSZSA-N 2 0 338.879 3.209 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCc3nsc4ccccc43)CC2)C1 ZINC000662281542 461163190 /nfs/dbraw/zinc/16/31/90/461163190.db2.gz NQBMNPLBIQZIEP-CRAIPNDOSA-N 2 0 345.512 3.057 20 0 EGADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291441 461167657 /nfs/dbraw/zinc/16/76/57/461167657.db2.gz SNCNKGYKUKTHHD-AEFFLSMTSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293923 461172127 /nfs/dbraw/zinc/17/21/27/461172127.db2.gz VFEDZOHZUHTVKP-PKOBYXMFSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000662294653 461172570 /nfs/dbraw/zinc/17/25/70/461172570.db2.gz DIJKBLQKZKPHQO-RDJZCZTQSA-N 2 0 347.478 3.173 20 0 EGADRP CCn1c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2c1cccc2F ZINC000662295686 461175938 /nfs/dbraw/zinc/17/59/38/461175938.db2.gz WKEVCTNUNKEOAN-MRXNPFEDSA-N 2 0 344.478 3.407 20 0 EGADRP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Cl)c1 ZINC000662313474 461185535 /nfs/dbraw/zinc/18/55/35/461185535.db2.gz RDGFZZCNRZEWEH-RHSMWYFYSA-N 2 0 337.895 3.426 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)c1ccccc1 ZINC000662347103 461202920 /nfs/dbraw/zinc/20/29/20/461202920.db2.gz ARBRFTSUWBKGTR-FQEVSTJZSA-N 2 0 337.467 3.103 20 0 EGADRP COc1cc(Cl)c(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000638029222 461206132 /nfs/dbraw/zinc/20/61/32/461206132.db2.gz NOWWILBJQXUIQP-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c1 ZINC000662398170 461232508 /nfs/dbraw/zinc/23/25/08/461232508.db2.gz APELFIURVOAXNX-SFHVURJKSA-N 2 0 337.467 3.427 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000638100500 461239301 /nfs/dbraw/zinc/23/93/01/461239301.db2.gz MHBJWTHZGXYFRD-APWZRJJASA-N 2 0 331.504 3.092 20 0 EGADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000659252325 461250899 /nfs/dbraw/zinc/25/08/99/461250899.db2.gz ZHQRVEQYROMFSE-HXUWFJFHSA-N 2 0 341.499 3.134 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655495897 461281466 /nfs/dbraw/zinc/28/14/66/461281466.db2.gz ZFSUFTKPXPUJHU-KRWDZBQOSA-N 2 0 331.504 3.045 20 0 EGADRP CC(C)O[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](OC(C)C)C2)C1 ZINC000649702671 461289350 /nfs/dbraw/zinc/28/93/50/461289350.db2.gz KRDANZDJQNBAJA-SBUVDCAVSA-N 2 0 338.536 3.321 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)cc1 ZINC000638309535 461358435 /nfs/dbraw/zinc/35/84/35/461358435.db2.gz RJMZTJNREMNZQI-VQIMIIECSA-N 2 0 331.504 3.065 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000638313255 461362912 /nfs/dbraw/zinc/36/29/12/461362912.db2.gz SHCPGHIHEAOLOR-HXUWFJFHSA-N 2 0 334.504 3.060 20 0 EGADRP CSc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000641772921 461362972 /nfs/dbraw/zinc/36/29/72/461362972.db2.gz UDDDWHBONCOAEU-UHFFFAOYSA-N 2 0 331.485 3.398 20 0 EGADRP COCc1cccc(OCC2(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)CCC2)c1 ZINC000641803001 461380293 /nfs/dbraw/zinc/38/02/93/461380293.db2.gz QRXCAODHDYPOKT-QZTJIDSGSA-N 2 0 332.488 3.098 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cccc(F)c1N ZINC000638373829 461394391 /nfs/dbraw/zinc/39/43/91/461394391.db2.gz KAIPLIKUOIJYEZ-UHFFFAOYSA-N 2 0 345.462 3.418 20 0 EGADRP COc1cccc(C)c1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000638379696 461397489 /nfs/dbraw/zinc/39/74/89/461397489.db2.gz LFAUFSSFEWOXGW-UHFFFAOYSA-N 2 0 328.456 3.234 20 0 EGADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000655728510 461397656 /nfs/dbraw/zinc/39/76/56/461397656.db2.gz VTCMPANFPZAPOY-PXNSSMCTSA-N 2 0 328.500 3.381 20 0 EGADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000655757135 461423787 /nfs/dbraw/zinc/42/37/87/461423787.db2.gz CFRZXONDDHGYHE-UHFFFAOYSA-N 2 0 330.451 3.141 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647009536 461481529 /nfs/dbraw/zinc/48/15/29/461481529.db2.gz FNIOCQXBGKEUME-HKUYNNGSSA-N 2 0 331.504 3.116 20 0 EGADRP CC1CC[NH+](CCCC[NH2+]Cc2ccncc2Br)CC1 ZINC000631043039 461496418 /nfs/dbraw/zinc/49/64/18/461496418.db2.gz PXXFZAIGDURRHL-UHFFFAOYSA-N 2 0 340.309 3.446 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653108154 461504498 /nfs/dbraw/zinc/50/44/98/461504498.db2.gz KPPXLVLCMHRHLW-WMZOPIPTSA-N 2 0 329.488 3.389 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CCC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000653119549 461509925 /nfs/dbraw/zinc/50/99/25/461509925.db2.gz NYRCRKAKTBLNNX-HKUYNNGSSA-N 2 0 345.531 3.402 20 0 EGADRP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)c(F)cc1Br ZINC000631063288 461515031 /nfs/dbraw/zinc/51/50/31/461515031.db2.gz AJZVTSCFBIAZDV-UHFFFAOYSA-N 2 0 345.256 3.028 20 0 EGADRP CCN(Cc1cc(OC)ns1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659969356 461520842 /nfs/dbraw/zinc/52/08/42/461520842.db2.gz AXLSZJISFWBSJW-QGZVFWFLSA-N 2 0 345.512 3.496 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3cccc4c3CC[NH2+]C4)n2)cc1 ZINC000663250129 461527896 /nfs/dbraw/zinc/52/78/96/461527896.db2.gz BYUQHMMVDWJYBV-UHFFFAOYSA-N 2 0 334.423 3.111 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc3ccccc3n2C)C[C@H](C)O1 ZINC000638680560 461532603 /nfs/dbraw/zinc/53/26/03/461532603.db2.gz DZOSFJUIQZIQLK-CALCHBBNSA-N 2 0 329.488 3.157 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000638680377 461532924 /nfs/dbraw/zinc/53/29/24/461532924.db2.gz CATVBHBPQAGSFI-UYAOXDASSA-N 2 0 330.516 3.223 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000647180518 461547357 /nfs/dbraw/zinc/54/73/57/461547357.db2.gz FNLNKOQPBGXGLB-UHFFFAOYSA-N 2 0 326.431 3.337 20 0 EGADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638727937 461549888 /nfs/dbraw/zinc/54/98/88/461549888.db2.gz ADRCTVKSKGJQGC-UXHICEINSA-N 2 0 346.515 3.040 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(N2CCCC2)c1 ZINC000638766122 461568850 /nfs/dbraw/zinc/56/88/50/461568850.db2.gz SJCUYYQHONQIFY-KRWDZBQOSA-N 2 0 345.531 3.173 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+]CCCc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000638797397 461585267 /nfs/dbraw/zinc/58/52/67/461585267.db2.gz QSYXPFQSSAPLKH-QUCCMNQESA-N 2 0 340.515 3.243 20 0 EGADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000653253296 461590857 /nfs/dbraw/zinc/59/08/57/461590857.db2.gz OBHQOPBRVFXNTH-YJBOKZPZSA-N 2 0 347.528 3.201 20 0 EGADRP Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000643031899 461594178 /nfs/dbraw/zinc/59/41/78/461594178.db2.gz ZDJYJLZEYNHGMU-WBMJQRKESA-N 2 0 333.382 3.333 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1 ZINC000643058191 461599408 /nfs/dbraw/zinc/59/94/08/461599408.db2.gz LKTKDSAWINFTGE-YOEHRIQHSA-N 2 0 328.431 3.496 20 0 EGADRP CCNC(=O)[C@@H](C)NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638846860 461614541 /nfs/dbraw/zinc/61/45/41/461614541.db2.gz FQWNDUGMKHRISY-DYESRHJHSA-N 2 0 345.531 3.039 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638880993 461636576 /nfs/dbraw/zinc/63/65/76/461636576.db2.gz QHECFLGYGPMMIS-CYBMUJFWSA-N 2 0 334.291 3.022 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000656195697 461642528 /nfs/dbraw/zinc/64/25/28/461642528.db2.gz BVPDZXTWQDENLP-MGPQQGTHSA-N 2 0 343.393 3.023 20 0 EGADRP CC(C)C[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000653347284 461642897 /nfs/dbraw/zinc/64/28/97/461642897.db2.gz ZHDYEDFWABENEZ-IJXRJRJASA-N 2 0 345.531 3.386 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1-n1ccnn1 ZINC000663465541 461655379 /nfs/dbraw/zinc/65/53/79/461655379.db2.gz KJMOOWLHUIVQGI-SJLPKXTDSA-N 2 0 339.487 3.040 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663470530 461659950 /nfs/dbraw/zinc/65/99/50/461659950.db2.gz VAWCITSZZQBOGT-HKUYNNGSSA-N 2 0 343.515 3.424 20 0 EGADRP C[C@@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669421142 461669598 /nfs/dbraw/zinc/66/95/98/461669598.db2.gz QXKKNUDVLBBUPO-OWCLPIDISA-N 2 0 342.512 3.499 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)o1 ZINC000639067344 461703642 /nfs/dbraw/zinc/70/36/42/461703642.db2.gz IWSPXHCKZUGCQF-OAHLLOKOSA-N 2 0 341.455 3.214 20 0 EGADRP Cc1nc2c(n1[C@@H]1CC[N@@H+]([C@@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076827 461709427 /nfs/dbraw/zinc/70/94/27/461709427.db2.gz RHSVBOCQAJTBPM-WMLDXEAASA-N 2 0 339.487 3.485 20 0 EGADRP CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000650372262 461728387 /nfs/dbraw/zinc/72/83/87/461728387.db2.gz LMIVKKNXGWIKCW-UHFFFAOYSA-N 2 0 328.460 3.109 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480208 461740020 /nfs/dbraw/zinc/74/00/20/461740020.db2.gz FTOPEMDQMNLFQY-OUJGAGHGSA-N 2 0 327.516 3.017 20 0 EGADRP CO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000669621129 461744644 /nfs/dbraw/zinc/74/46/44/461744644.db2.gz ITZDYBUYPGRRBJ-YLJYHZDGSA-N 2 0 332.488 3.161 20 0 EGADRP Clc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000647542712 461753839 /nfs/dbraw/zinc/75/38/39/461753839.db2.gz AMQSPWQDBZZSNA-LSDHHAIUSA-N 2 0 332.879 3.199 20 0 EGADRP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)C2 ZINC000643533750 461755391 /nfs/dbraw/zinc/75/53/91/461755391.db2.gz CSUUFFHTLXGQLF-HZPDHXFCSA-N 2 0 335.289 3.038 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542774 461757237 /nfs/dbraw/zinc/75/72/37/461757237.db2.gz BPYOAYGTFBWMMR-QZTJIDSGSA-N 2 0 332.536 3.467 20 0 EGADRP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543518 461757712 /nfs/dbraw/zinc/75/77/12/461757712.db2.gz ORGFPYDIKWFDGV-OALUTQOASA-N 2 0 338.499 3.392 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000643545938 461758151 /nfs/dbraw/zinc/75/81/51/461758151.db2.gz FWVBPDGOGIKUOA-KSSFIOAISA-N 2 0 342.487 3.296 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000647544087 461759365 /nfs/dbraw/zinc/75/93/65/461759365.db2.gz WOASNDDQJNADEN-RBUKOAKNSA-N 2 0 338.499 3.299 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)CC(C)C ZINC000639146453 461761967 /nfs/dbraw/zinc/76/19/67/461761967.db2.gz JITOXMHHVGEKCQ-HXUWFJFHSA-N 2 0 334.504 3.310 20 0 EGADRP Clc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC000647549056 461762376 /nfs/dbraw/zinc/76/23/76/461762376.db2.gz GXUJVCRYYPYKTN-IXDOHACOSA-N 2 0 348.918 3.366 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cc(F)ccc3[C@H]2C)CC1 ZINC000669690179 461768740 /nfs/dbraw/zinc/76/87/40/461768740.db2.gz ADXVAEKBEVLHTG-QGZVFWFLSA-N 2 0 333.495 3.161 20 0 EGADRP c1csc(N2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000656507846 461771413 /nfs/dbraw/zinc/77/14/13/461771413.db2.gz ZLWQIBWENNTOSO-UHFFFAOYSA-N 2 0 342.512 3.371 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@H]3C[NH+](C)CC[C@H]31)CC2 ZINC000639177223 461781953 /nfs/dbraw/zinc/78/19/53/461781953.db2.gz BXEKWRWSXRUJMH-CGTJXYLNSA-N 2 0 330.472 3.107 20 0 EGADRP Fc1cccc(COc2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2)c1 ZINC000666787412 461802191 /nfs/dbraw/zinc/80/21/91/461802191.db2.gz ZJMYPAUFIOZMGG-KRWDZBQOSA-N 2 0 328.431 3.494 20 0 EGADRP OC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000656625354 461811154 /nfs/dbraw/zinc/81/11/54/461811154.db2.gz YWYFKEKRULDESC-INIZCTEOSA-N 2 0 345.874 3.070 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000639220945 461811356 /nfs/dbraw/zinc/81/13/56/461811356.db2.gz ZOFLIUOPYAKKOL-QUCCMNQESA-N 2 0 330.516 3.395 20 0 EGADRP CC(C)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(O)c(=O)c1 ZINC000663831619 461828535 /nfs/dbraw/zinc/82/85/35/461828535.db2.gz WUHVCKKWXLKRIM-UHFFFAOYSA-N 2 0 346.515 3.428 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC1CCCC1 ZINC000647784294 461833388 /nfs/dbraw/zinc/83/33/88/461833388.db2.gz PPNUWDSXORBDJR-RCCFBDPRSA-N 2 0 344.499 3.494 20 0 EGADRP Clc1ccccc1[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000647785692 461833749 /nfs/dbraw/zinc/83/37/49/461833749.db2.gz DBPOVYHGTPBETA-VIPLHTEESA-N 2 0 347.934 3.455 20 0 EGADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647788202 461836079 /nfs/dbraw/zinc/83/60/79/461836079.db2.gz DOUASGIAPFBQTJ-OKZBNKHCSA-N 2 0 332.488 3.352 20 0 EGADRP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789564 461836126 /nfs/dbraw/zinc/83/61/26/461836126.db2.gz HENVZHOUVLXPPL-RRFJBIMHSA-N 2 0 328.378 3.105 20 0 EGADRP FC(F)(F)c1ccccc1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647791754 461836891 /nfs/dbraw/zinc/83/68/91/461836891.db2.gz MKKGYKGOGIRQFF-BFHYXJOUSA-N 2 0 328.378 3.062 20 0 EGADRP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647795793 461838266 /nfs/dbraw/zinc/83/82/66/461838266.db2.gz WEMYCBNHEAEURH-IXDOHACOSA-N 2 0 341.430 3.491 20 0 EGADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000647795407 461838456 /nfs/dbraw/zinc/83/84/56/461838456.db2.gz PREZCFHXCWFESY-UXIGCNINSA-N 2 0 348.288 3.408 20 0 EGADRP Brc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c2ncccc12 ZINC000666856640 461838481 /nfs/dbraw/zinc/83/84/81/461838481.db2.gz VSCWVRFGICBHPF-ZDUSSCGKSA-N 2 0 334.261 3.229 20 0 EGADRP C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@H]1CC[NH2+]C1)OCCO3 ZINC000647874476 461867136 /nfs/dbraw/zinc/86/71/36/461867136.db2.gz ZRNYYTFUJCIELH-HOTGVXAUSA-N 2 0 342.483 3.256 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000666921641 461869053 /nfs/dbraw/zinc/86/90/53/461869053.db2.gz OBMPGWBAMBSOKZ-DNVCBOLYSA-N 2 0 325.456 3.364 20 0 EGADRP COc1cccc(C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000647882059 461869767 /nfs/dbraw/zinc/86/97/67/461869767.db2.gz HGGNDZIQQPKYRJ-NRFANRHFSA-N 2 0 346.515 3.456 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950912 461885679 /nfs/dbraw/zinc/88/56/79/461885679.db2.gz QHFMGYLPPUCRRU-FQEVSTJZSA-N 2 0 332.451 3.257 20 0 EGADRP CC[C@@H]1C[N@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC[C@@H]1[NH3+] ZINC000647937856 461894027 /nfs/dbraw/zinc/89/40/27/461894027.db2.gz DDTOQSNYTFDDHG-PBHICJAKSA-N 2 0 346.450 3.176 20 0 EGADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784711 461894115 /nfs/dbraw/zinc/89/41/15/461894115.db2.gz GDMCYWYNMJDYRE-QGZVFWFLSA-N 2 0 325.456 3.152 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784872 461894159 /nfs/dbraw/zinc/89/41/59/461894159.db2.gz DLSIPRJHTLBJIV-SFHVURJKSA-N 2 0 332.536 3.467 20 0 EGADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650707542 461900908 /nfs/dbraw/zinc/90/09/08/461900908.db2.gz IJJZGJWOQMJVRB-HGKSCXNLSA-N 2 0 332.488 3.017 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000650707594 461901418 /nfs/dbraw/zinc/90/14/18/461901418.db2.gz JCVVBBNARAAOOD-INMHGKMJSA-N 2 0 335.517 3.129 20 0 EGADRP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995200 461903554 /nfs/dbraw/zinc/90/35/54/461903554.db2.gz GBBJETKJWYCMDI-FQEVSTJZSA-N 2 0 345.506 3.097 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655367 461907312 /nfs/dbraw/zinc/90/73/12/461907312.db2.gz GWGXEJFUCUSMCG-IBGZPJMESA-N 2 0 347.528 3.155 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc(C[NH3+])cc3F)CC2)C1 ZINC000650717854 461909618 /nfs/dbraw/zinc/90/96/18/461909618.db2.gz OOZYLVYCHUVKNZ-HNAYVOBHSA-N 2 0 333.495 3.417 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717498 461910154 /nfs/dbraw/zinc/91/01/54/461910154.db2.gz CKDKIKBSZJLOJN-GFCCVEGCSA-N 2 0 349.837 3.445 20 0 EGADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCOc1ccc(F)cc1Cl)C2 ZINC000660663396 461912762 /nfs/dbraw/zinc/91/27/62/461912762.db2.gz NSZGXNAICCDDGZ-KRWDZBQOSA-N 2 0 326.843 3.276 20 0 EGADRP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975667 461916645 /nfs/dbraw/zinc/91/66/45/461916645.db2.gz DIZWJXYAXZLHIF-HZPDHXFCSA-N 2 0 344.434 3.087 20 0 EGADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976309 461919176 /nfs/dbraw/zinc/91/91/76/461919176.db2.gz MZOPVUDDQABHNF-BZUAXINKSA-N 2 0 340.471 3.108 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977332 461919277 /nfs/dbraw/zinc/91/92/77/461919277.db2.gz AAGYQOHCLXNMRH-FHWLQOOXSA-N 2 0 343.515 3.342 20 0 EGADRP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978158 461920075 /nfs/dbraw/zinc/92/00/75/461920075.db2.gz NJKUNPZFDWCBMQ-KZNAEPCWSA-N 2 0 339.487 3.040 20 0 EGADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc2cccnc12 ZINC000667041681 461925356 /nfs/dbraw/zinc/92/53/56/461925356.db2.gz HACSQTLURZGHEE-CTNGQTDRSA-N 2 0 339.483 3.262 20 0 EGADRP C[C@@H](NCc1ccc(C[NH3+])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650754216 461935432 /nfs/dbraw/zinc/93/54/32/461935432.db2.gz DDPWVSCZADZUJU-UZLBHIALSA-N 2 0 341.474 3.285 20 0 EGADRP CCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000667196043 461991842 /nfs/dbraw/zinc/99/18/42/461991842.db2.gz NSKMFNVVFAAJFU-MJGOQNOKSA-N 2 0 344.503 3.184 20 0 EGADRP Cc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)nc(C2CC2)n1 ZINC000664282346 462001736 /nfs/dbraw/zinc/00/17/36/462001736.db2.gz BPDAPWZXLZORNV-UHFFFAOYSA-N 2 0 337.471 3.382 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657343361 462060122 /nfs/dbraw/zinc/06/01/22/462060122.db2.gz ZMWVDEITHJWQTE-HNNXBMFYSA-N 2 0 344.890 3.407 20 0 EGADRP Cn1ccnc1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639724761 462076659 /nfs/dbraw/zinc/07/66/59/462076659.db2.gz DPBUOKDQPATQRJ-UHFFFAOYSA-N 2 0 338.499 3.298 20 0 EGADRP OCCOCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000661099454 462102170 /nfs/dbraw/zinc/10/21/70/462102170.db2.gz JLSMWYYXNCWHFT-UHFFFAOYSA-N 2 0 346.515 3.036 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccnn3CC3CC3)CC2)CC1 ZINC000657415474 462109531 /nfs/dbraw/zinc/10/95/31/462109531.db2.gz KPCGKNMYAPKIJE-UHFFFAOYSA-N 2 0 330.520 3.426 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000664596585 462119202 /nfs/dbraw/zinc/11/92/02/462119202.db2.gz ITZBSBLAQUHXCY-SFHVURJKSA-N 2 0 339.483 3.223 20 0 EGADRP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000657474777 462147077 /nfs/dbraw/zinc/14/70/77/462147077.db2.gz RVIKIODKWCETCN-HXUWFJFHSA-N 2 0 332.488 3.210 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000654309118 462151153 /nfs/dbraw/zinc/15/11/53/462151153.db2.gz VSWUKDCYVBKPMB-UXHICEINSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731054 462236124 /nfs/dbraw/zinc/23/61/24/462236124.db2.gz LDKQCIKXKGWCHL-GASCZTMLSA-N 2 0 332.492 3.023 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc2ccncc2s1)N1CC[NH+](C)CC1 ZINC000657832020 462288043 /nfs/dbraw/zinc/28/80/43/462288043.db2.gz ICOLYSDZCBIGTE-RDJZCZTQSA-N 2 0 346.544 3.219 20 0 EGADRP C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000657834291 462289329 /nfs/dbraw/zinc/28/93/29/462289329.db2.gz ZXRHJGAAWPRXPJ-QGZVFWFLSA-N 2 0 349.482 3.185 20 0 EGADRP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000667849898 462292945 /nfs/dbraw/zinc/29/29/45/462292945.db2.gz INHQSOQBBFIBDP-KUHUBIRLSA-N 2 0 338.455 3.103 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657879507 462305442 /nfs/dbraw/zinc/30/54/42/462305442.db2.gz OKRFAUKLMGMHIY-RTBURBONSA-N 2 0 349.950 3.419 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc2ccncc2s1 ZINC000657878361 462306103 /nfs/dbraw/zinc/30/61/03/462306103.db2.gz GYFOKKIWNITYLA-HOCLYGCPSA-N 2 0 333.501 3.184 20 0 EGADRP CCc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c2ccccc2[nH+]1 ZINC000645385514 462308078 /nfs/dbraw/zinc/30/80/78/462308078.db2.gz XMBQAHSNUXWGRZ-UHFFFAOYSA-N 2 0 325.456 3.098 20 0 EGADRP COc1cc(OC)c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1F ZINC000651749799 462324193 /nfs/dbraw/zinc/32/41/93/462324193.db2.gz KFKVLWHNNVCMEL-UHFFFAOYSA-N 2 0 332.419 3.194 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000658004215 462343389 /nfs/dbraw/zinc/34/33/89/462343389.db2.gz WQROKKSEFYZMMR-GOSISDBHSA-N 2 0 337.939 3.277 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000658068419 462366443 /nfs/dbraw/zinc/36/64/43/462366443.db2.gz FCVSTSUTWVZWCV-JKSUJKDBSA-N 2 0 335.923 3.486 20 0 EGADRP c1ccc([C@@H]2C[C@H](N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC[NH2+]2)cc1 ZINC000665268311 462377483 /nfs/dbraw/zinc/37/74/83/462377483.db2.gz MDZSZUUCUBJEPX-DYXWJJEUSA-N 2 0 327.516 3.476 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090807 462380106 /nfs/dbraw/zinc/38/01/06/462380106.db2.gz JRLDQNABJAEXLX-SJLPKXTDSA-N 2 0 333.520 3.150 20 0 EGADRP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292353 462389046 /nfs/dbraw/zinc/38/90/46/462389046.db2.gz ZIOWFCFCWGKQKY-MRXNPFEDSA-N 2 0 348.878 3.041 20 0 EGADRP CO[C@](C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)COCc1ccccc1 ZINC000658131368 462397062 /nfs/dbraw/zinc/39/70/62/462397062.db2.gz CTELDPACBFPGNP-OAQYLSRUSA-N 2 0 346.515 3.072 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)c2ccc(C[NH+](CC)CC)o2)c1 ZINC000649269674 462463524 /nfs/dbraw/zinc/46/35/24/462463524.db2.gz SQUXJBDHRRWZSO-UHFFFAOYSA-N 2 0 329.444 3.483 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658297912 462463836 /nfs/dbraw/zinc/46/38/36/462463836.db2.gz BOFYZDQIPRGQNS-ZHALLVOQSA-N 2 0 349.563 3.266 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000649276922 462465752 /nfs/dbraw/zinc/46/57/52/462465752.db2.gz SOXCBWZXMCVQQE-SFHVURJKSA-N 2 0 329.488 3.388 20 0 EGADRP CCCc1ccc2[nH+]ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000649304581 462474806 /nfs/dbraw/zinc/47/48/06/462474806.db2.gz KVEWODZOQQWJLA-GOSISDBHSA-N 2 0 339.483 3.274 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CCC(C)(C)[NH3+])CCCC1)c1ccccc1 ZINC000649331649 462480153 /nfs/dbraw/zinc/48/01/53/462480153.db2.gz KKPCKRYSGIPFAE-MRXNPFEDSA-N 2 0 331.504 3.284 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)C1CC[NH+](C)CC1 ZINC000658346513 462484728 /nfs/dbraw/zinc/48/47/28/462484728.db2.gz CEKUDCIMOVJMOO-LAUBAEHRSA-N 2 0 346.515 3.202 20 0 EGADRP COc1cccc2c1CC[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)C2 ZINC000658356859 462488223 /nfs/dbraw/zinc/48/82/23/462488223.db2.gz PVRUVXPDGRAJPO-IBGZPJMESA-N 2 0 328.500 3.264 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000658355836 462488354 /nfs/dbraw/zinc/48/83/54/462488354.db2.gz LAROXJGFOZVWAF-HNNXBMFYSA-N 2 0 341.499 3.344 20 0 EGADRP c1ccc(C(c2ccccc2)[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000649411059 462502347 /nfs/dbraw/zinc/50/23/47/462502347.db2.gz KKSXVAXMBIIMCS-IBGZPJMESA-N 2 0 335.495 3.003 20 0 EGADRP Cc1cc(C)n(CC[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000649416796 462503329 /nfs/dbraw/zinc/50/33/29/462503329.db2.gz LYTWPGCMDQMACG-SFTDATJTSA-N 2 0 340.515 3.172 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000662108926 462527486 /nfs/dbraw/zinc/52/74/86/462527486.db2.gz SLGIFKNLVVTYHY-FQEVSTJZSA-N 2 0 345.531 3.449 20 0 EGADRP COc1cccc(C2([NH2+]CCCN3CC[NH+](C(C)C)CC3)CCC2)c1 ZINC000662109141 462527791 /nfs/dbraw/zinc/52/77/91/462527791.db2.gz GICAHCBWBJLXND-UHFFFAOYSA-N 2 0 345.531 3.080 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000174344224 533765122 /nfs/dbraw/zinc/76/51/22/533765122.db2.gz ISDMWODFKGHLJF-HKUYNNGSSA-N 2 0 346.515 3.454 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000165929006 527718680 /nfs/dbraw/zinc/71/86/80/527718680.db2.gz LBKJHDJDBFCGQA-HOCLYGCPSA-N 2 0 326.481 3.309 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154456849 527801176 /nfs/dbraw/zinc/80/11/76/527801176.db2.gz NIWIRZWFTUENFH-CRAIPNDOSA-N 2 0 326.488 3.121 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000165998273 528037943 /nfs/dbraw/zinc/03/79/43/528037943.db2.gz WULYBKUZSWBNJV-OXQOHEQNSA-N 2 0 344.503 3.188 20 0 EGADRP CCOc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OCC ZINC000154902781 528425349 /nfs/dbraw/zinc/42/53/49/528425349.db2.gz UOWJMUMEBSNYNE-JZXOWHBKSA-N 2 0 334.504 3.345 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000132343745 528463851 /nfs/dbraw/zinc/46/38/51/528463851.db2.gz RLFBYKFRKAEFCJ-FUHWJXTLSA-N 2 0 329.488 3.355 20 0 EGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000154968274 528475440 /nfs/dbraw/zinc/47/54/40/528475440.db2.gz NMOMAWNIDVAAHH-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000178692071 528720393 /nfs/dbraw/zinc/72/03/93/528720393.db2.gz PLZJJPLLSZRSIT-QZTJIDSGSA-N 2 0 333.520 3.010 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000187224394 529034133 /nfs/dbraw/zinc/03/41/33/529034133.db2.gz QQFDKOROSLDUFV-CTNGQTDRSA-N 2 0 330.516 3.344 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000191505655 529040910 /nfs/dbraw/zinc/04/09/10/529040910.db2.gz NRYAAOIOPJDHPW-UHFFFAOYSA-N 2 0 335.923 3.114 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000191606555 529041164 /nfs/dbraw/zinc/04/11/64/529041164.db2.gz MHMNIBQKPBJCOD-LJQANCHMSA-N 2 0 331.548 3.358 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000191494489 529041639 /nfs/dbraw/zinc/04/16/39/529041639.db2.gz RXNVIEWAMBSNRD-JOCHJYFZSA-N 2 0 343.559 3.456 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000154469649 529143353 /nfs/dbraw/zinc/14/33/53/529143353.db2.gz HKXKSXDJXHFHSL-SFHVURJKSA-N 2 0 333.545 3.231 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181492681 529144760 /nfs/dbraw/zinc/14/47/60/529144760.db2.gz OAFYSOOQINPGRP-INIZCTEOSA-N 2 0 345.487 3.120 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000154257949 529144884 /nfs/dbraw/zinc/14/48/84/529144884.db2.gz MYPHVXZBFIXXFS-HNNXBMFYSA-N 2 0 339.524 3.226 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187857052 529147145 /nfs/dbraw/zinc/14/71/45/529147145.db2.gz NOHVBKGUQHYGTH-IRXDYDNUSA-N 2 0 337.939 3.307 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H](C[NH+](CC)CC)C1)[N@H+](C)Cc1ccccc1 ZINC000354572483 536088475 /nfs/dbraw/zinc/08/84/75/536088475.db2.gz IDYAWSCWTCSIHV-WOJBJXKFSA-N 2 0 345.531 3.087 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000122906342 546736045 /nfs/dbraw/zinc/73/60/45/546736045.db2.gz YKHNAVLLAUZCBT-OAHLLOKOSA-N 2 0 332.488 3.055 20 0 EGADRP CCC[NH+]1CCC(NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000123088610 546737490 /nfs/dbraw/zinc/73/74/90/546737490.db2.gz RELJSDMWSKKKHS-OAQYLSRUSA-N 2 0 329.532 3.287 20 0 EGADRP CCC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161594938 546957488 /nfs/dbraw/zinc/95/74/88/546957488.db2.gz AXVJNWZAEJSQGT-RXVVDRJESA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270620 546971260 /nfs/dbraw/zinc/97/12/60/546971260.db2.gz VWJMKVORCSLKTL-LQWHRVPQSA-N 2 0 329.532 3.359 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166400770 546988733 /nfs/dbraw/zinc/98/87/33/546988733.db2.gz BHNVRNTUYVAAOD-ZWKOTPCHSA-N 3 0 333.545 3.177 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000179909730 547050936 /nfs/dbraw/zinc/05/09/36/547050936.db2.gz LUGLMLLQGAYEOI-BGYRXZFFSA-N 2 0 343.559 3.455 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000190946812 547177775 /nfs/dbraw/zinc/17/77/75/547177775.db2.gz CCCDPJOWWCEKOM-UHFFFAOYSA-N 2 0 343.437 3.131 20 0 EGADRP CC(C)CO[C@@H]1CC[N@H+](CC[C@H](C)[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000245677448 547267160 /nfs/dbraw/zinc/26/71/60/547267160.db2.gz IMMFQCDSRPKDST-ZCNNSNEGSA-N 2 0 340.552 3.259 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339068645 547569159 /nfs/dbraw/zinc/56/91/59/547569159.db2.gz RYTYMNCOMLEZHL-ULQDDVLXSA-N 2 0 349.906 3.144 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)CC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000339255692 547573051 /nfs/dbraw/zinc/57/30/51/547573051.db2.gz QQRMBBHGHCGBPO-IRXDYDNUSA-N 2 0 335.492 3.043 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000339352081 547575535 /nfs/dbraw/zinc/57/55/35/547575535.db2.gz IHCRLXUNLGUXGB-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)CC2 ZINC000358991288 547748727 /nfs/dbraw/zinc/74/87/27/547748727.db2.gz UMEBNGWHSIWBLJ-QGZVFWFLSA-N 2 0 332.488 3.403 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000380179937 547820445 /nfs/dbraw/zinc/82/04/45/547820445.db2.gz AAONSJFNFYLJBY-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000398106988 547836909 /nfs/dbraw/zinc/83/69/09/547836909.db2.gz MXLWDQCFMWSHAT-OBJCFNGXSA-N 2 0 327.516 3.160 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccncc1 ZINC000414929687 547861227 /nfs/dbraw/zinc/86/12/27/547861227.db2.gz RWXRPTHNVDDAKB-ZWKOTPCHSA-N 2 0 341.455 3.029 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414925815 547861759 /nfs/dbraw/zinc/86/17/59/547861759.db2.gz MIRJQBSBVDICOZ-KGYLQXTDSA-N 2 0 329.257 3.379 20 0 EGADRP CC/C=C\CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671720285 548342866 /nfs/dbraw/zinc/34/28/66/548342866.db2.gz WPAUSVWEQCBXRD-VKUXZERMSA-N 2 0 327.516 3.235 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2OCCc3ccccc32)[C@@H](C)C1 ZINC000678585901 549524279 /nfs/dbraw/zinc/52/42/79/549524279.db2.gz PXQMUDIZQRDYMU-DZFGPLHGSA-N 2 0 346.515 3.027 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)n1 ZINC000678599160 549528087 /nfs/dbraw/zinc/52/80/87/549528087.db2.gz VTUNXNIPWIPAOA-FFZOFVMBSA-N 2 0 331.504 3.117 20 0 EGADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000678773289 549559264 /nfs/dbraw/zinc/55/92/64/549559264.db2.gz WHCWQJVFJAWJJY-PSOYPTMXSA-N 2 0 328.500 3.277 20 0 EGADRP C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678931878 549598169 /nfs/dbraw/zinc/59/81/69/549598169.db2.gz QPPPVIYSXFEEPV-MRXNPFEDSA-N 2 0 328.456 3.053 20 0 EGADRP C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1CC[NH+](C)CC1 ZINC000679073886 549630380 /nfs/dbraw/zinc/63/03/80/549630380.db2.gz IVFFLSICUSULCF-QGZVFWFLSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1CC[NH+](C)CC1 ZINC000679073885 549631110 /nfs/dbraw/zinc/63/11/10/549631110.db2.gz IVFFLSICUSULCF-KRWDZBQOSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]1C[C@@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@@H+]1C ZINC000679143686 549643735 /nfs/dbraw/zinc/64/37/35/549643735.db2.gz YPAPBNVTEXOUGC-LPHOPBHVSA-N 2 0 333.545 3.173 20 0 EGADRP C[C@H]([NH2+]Cc1cnc2ccccn12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679288030 549680359 /nfs/dbraw/zinc/68/03/59/549680359.db2.gz BOVMEVYUPHQKCF-PKOBYXMFSA-N 2 0 334.467 3.335 20 0 EGADRP C[C@H]1OCC[C@]1(C)[NH2+]Cc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000683147600 550196776 /nfs/dbraw/zinc/19/67/76/550196776.db2.gz YUBQQOUKJMSBQP-JSJNYSNDSA-N 2 0 332.488 3.001 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ncccc3C(F)(F)F)C2)CC1 ZINC000685463149 550420227 /nfs/dbraw/zinc/42/02/27/550420227.db2.gz SGCRAVKEVLOLRD-AWEZNQCLSA-N 2 0 327.394 3.264 20 0 EGADRP CN(C)c1ccccc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685476513 550422176 /nfs/dbraw/zinc/42/21/76/550422176.db2.gz JIBUNNKONIMKGQ-UHFFFAOYSA-N 2 0 341.499 3.325 20 0 EGADRP CCc1ccc2c(C[NH+]3CCC(C[NH+](C)C)CC3)cc(=O)oc2c1 ZINC000729266076 574834829 /nfs/dbraw/zinc/83/48/29/574834829.db2.gz QGRPDCIYLSLHNJ-UHFFFAOYSA-N 2 0 328.456 3.129 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000735658366 575699154 /nfs/dbraw/zinc/69/91/54/575699154.db2.gz DQPVUOMPDGKDOT-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383335801 576253916 /nfs/dbraw/zinc/25/39/16/576253916.db2.gz IOXBLZYHQGNBNB-APWZRJJASA-N 2 0 326.488 3.291 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000044132924 1291475699 /nfs/dbraw/zinc/47/56/99/1291475699.db2.gz OWUZBYJHSAYAKV-SFHVURJKSA-N 2 0 348.560 3.299 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000065996818 1292103467 /nfs/dbraw/zinc/10/34/67/1292103467.db2.gz FDFCKMYASDHRLK-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000067671659 1292167127 /nfs/dbraw/zinc/16/71/27/1292167127.db2.gz ROSPGYVKWXCTJI-LJQANCHMSA-N 2 0 337.511 3.469 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000067671658 1292168015 /nfs/dbraw/zinc/16/80/15/1292168015.db2.gz ROSPGYVKWXCTJI-IBGZPJMESA-N 2 0 337.511 3.469 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)c1 ZINC000067692980 1292169089 /nfs/dbraw/zinc/16/90/89/1292169089.db2.gz FXHQOVLMUUIVPV-UHFFFAOYSA-N 2 0 326.469 3.490 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(C)c1 ZINC000069171482 1292235017 /nfs/dbraw/zinc/23/50/17/1292235017.db2.gz PDKMXLWGJVLJNS-QFIPXVFZSA-N 2 0 337.511 3.382 20 0 EGADRP CCCCn1nc(C)c(C[NH+]2CCC(C[NH2+]CC)CC2)c1Cl ZINC000843055172 1321463416 /nfs/dbraw/zinc/46/34/16/1321463416.db2.gz FOVREXNZEUWADN-UHFFFAOYSA-N 2 0 326.916 3.467 20 0 EGADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@@H]([NH3+])C3CC3)ccc21 ZINC000827954109 1292412002 /nfs/dbraw/zinc/41/20/02/1292412002.db2.gz VXOMAEHWTYDQET-GOSISDBHSA-N 2 0 342.487 3.049 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(N(C)C)s1 ZINC000077327948 1292460057 /nfs/dbraw/zinc/46/00/57/1292460057.db2.gz HXRHQTQNGDYILE-UHFFFAOYSA-N 2 0 332.517 3.339 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)cc1 ZINC000077432574 1292465025 /nfs/dbraw/zinc/46/50/25/1292465025.db2.gz JFAHVCIHHXQJLI-LJQANCHMSA-N 2 0 344.503 3.028 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000077506849 1292469008 /nfs/dbraw/zinc/46/90/08/1292469008.db2.gz MPFCDFHMOFMXLU-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000079756328 1292574528 /nfs/dbraw/zinc/57/45/28/1292574528.db2.gz BOUUHFGSULWRQJ-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP CC[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000080401768 1292599764 /nfs/dbraw/zinc/59/97/64/1292599764.db2.gz RIUOAYMIEUETGH-SJLPKXTDSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000080401762 1292600202 /nfs/dbraw/zinc/60/02/02/1292600202.db2.gz RIUOAYMIEUETGH-AEFFLSMTSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2)c1 ZINC000105449583 1293037567 /nfs/dbraw/zinc/03/75/67/1293037567.db2.gz PZDBCXUXBVTZDN-UHFFFAOYSA-N 2 0 328.456 3.445 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nc(Br)cs1 ZINC000834756331 1293143289 /nfs/dbraw/zinc/14/32/89/1293143289.db2.gz NLEOHJMZZAKZKO-JTQLQIEISA-N 2 0 332.311 3.288 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)ccc1OC ZINC000834906648 1293172441 /nfs/dbraw/zinc/17/24/41/1293172441.db2.gz RDAGGOLISUGDER-BEFAXECRSA-N 2 0 334.504 3.349 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000834911030 1293174017 /nfs/dbraw/zinc/17/40/17/1293174017.db2.gz XCKDRTWFDSMTQU-INIZCTEOSA-N 2 0 329.488 3.338 20 0 EGADRP CC(C)(O)[C@H]1CCC[NH+]1CCCCCC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119199681 1293259971 /nfs/dbraw/zinc/25/99/71/1293259971.db2.gz ACCDAFQYIQXTCH-QZTJIDSGSA-N 2 0 340.552 3.017 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCSCC3)CC2)cc1 ZINC000119798263 1293288890 /nfs/dbraw/zinc/28/88/90/1293288890.db2.gz NAQLFGKIYVOFQF-UHFFFAOYSA-N 2 0 334.529 3.392 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000120730700 1293335018 /nfs/dbraw/zinc/33/50/18/1293335018.db2.gz WJQLUBHKAMPENV-WMZOPIPTSA-N 2 0 334.504 3.345 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130723520 1293666787 /nfs/dbraw/zinc/66/67/87/1293666787.db2.gz ZILXDBMYRRTDGV-IAGOWNOFSA-N 2 0 339.524 3.240 20 0 EGADRP CCN(c1ccccc1)c1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1 ZINC000131469018 1293691049 /nfs/dbraw/zinc/69/10/49/1293691049.db2.gz FZSLWJQUQAQLPR-NRFANRHFSA-N 2 0 341.499 3.247 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000132183787 1293711507 /nfs/dbraw/zinc/71/15/07/1293711507.db2.gz FHNICVXSUGCKCY-INIZCTEOSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)Oc1cccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000136210645 1293813173 /nfs/dbraw/zinc/81/31/73/1293813173.db2.gz AOPBARXFCOQHAL-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000136582052 1293817632 /nfs/dbraw/zinc/81/76/32/1293817632.db2.gz BLXYUVBWPRYPCD-LEWJYISDSA-N 2 0 346.515 3.331 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Br)ccc1F ZINC000150980997 1293901467 /nfs/dbraw/zinc/90/14/67/1293901467.db2.gz CNPRDTRGXTWEIQ-AWEZNQCLSA-N 2 0 347.272 3.035 20 0 EGADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000153718658 1294026499 /nfs/dbraw/zinc/02/64/99/1294026499.db2.gz VJZQDLMRYRHLCH-WOJBJXKFSA-N 2 0 346.515 3.289 20 0 EGADRP CCC(CC)(C[NH2+][C@H](C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000154589269 1294062514 /nfs/dbraw/zinc/06/25/14/1294062514.db2.gz IBHNVHXNVWHVBK-OAHLLOKOSA-N 2 0 341.540 3.390 20 0 EGADRP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155077561 1294082867 /nfs/dbraw/zinc/08/28/67/1294082867.db2.gz RZAADVFYMCUZRH-LJQANCHMSA-N 2 0 335.536 3.181 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)CCCCC[NH3+])c2)CC1 ZINC000155546339 1294104524 /nfs/dbraw/zinc/10/45/24/1294104524.db2.gz VADNWRLPVQFZDJ-UHFFFAOYSA-N 2 0 331.504 3.054 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000158228332 1294200050 /nfs/dbraw/zinc/20/00/50/1294200050.db2.gz OGCOZTIXSSOACR-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000161264878 1294288378 /nfs/dbraw/zinc/28/83/78/1294288378.db2.gz QVDGFNQKEBCCOD-RDJZCZTQSA-N 2 0 341.540 3.246 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccnc(Cl)c1 ZINC000162861571 1294324114 /nfs/dbraw/zinc/32/41/14/1294324114.db2.gz GIUUEWMOXHIIEP-KFWWJZLASA-N 2 0 325.884 3.275 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CSCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000165737071 1294359798 /nfs/dbraw/zinc/35/97/98/1294359798.db2.gz BANMLKYYSJMBFL-YOEHRIQHSA-N 2 0 340.558 3.126 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192173441 1295739552 /nfs/dbraw/zinc/73/95/52/1295739552.db2.gz KKOAGLBPVNOWJZ-SFHVURJKSA-N 2 0 336.520 3.306 20 0 EGADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000223969435 1296132723 /nfs/dbraw/zinc/13/27/23/1296132723.db2.gz SVNMKCPHPREBRK-PMPSAXMXSA-N 2 0 327.513 3.094 20 0 EGADRP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000227809360 1296149739 /nfs/dbraw/zinc/14/97/39/1296149739.db2.gz LLZWTYBLYBKRHR-MRXNPFEDSA-N 2 0 327.513 3.001 20 0 EGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000236938485 1296212775 /nfs/dbraw/zinc/21/27/75/1296212775.db2.gz TVYGCQKGTJODKR-SJLPKXTDSA-N 2 0 331.504 3.093 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000250024405 1296454155 /nfs/dbraw/zinc/45/41/55/1296454155.db2.gz RMNMYDIEPZBVTJ-YZGWKJHDSA-N 2 0 343.515 3.203 20 0 EGADRP Fc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000261936429 1296610312 /nfs/dbraw/zinc/61/03/12/1296610312.db2.gz DHUUOQHWFWQCCE-UHFFFAOYSA-N 2 0 346.368 3.342 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000301636507 1296791802 /nfs/dbraw/zinc/79/18/02/1296791802.db2.gz BMBQBUQISCMKDW-MRXNPFEDSA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000310045490 1297084116 /nfs/dbraw/zinc/08/41/16/1297084116.db2.gz ZEWYUGNIPLLWDQ-IAGOWNOFSA-N 2 0 341.540 3.390 20 0 EGADRP [NH2+]=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)NC1CCCC1 ZINC000310426217 1297095767 /nfs/dbraw/zinc/09/57/67/1297095767.db2.gz RRVBBKRSFQRGJR-SFHVURJKSA-N 2 0 328.504 3.345 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000324131182 1297206624 /nfs/dbraw/zinc/20/66/24/1297206624.db2.gz POUOEXMJNMTKJI-OAHLLOKOSA-N 2 0 330.394 3.060 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000326489012 1297236319 /nfs/dbraw/zinc/23/63/19/1297236319.db2.gz MQMLNSUZHQZXKZ-HXUWFJFHSA-N 2 0 335.451 3.108 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)CC1 ZINC000340257514 1297310647 /nfs/dbraw/zinc/31/06/47/1297310647.db2.gz KIKWBRMRSBPFRS-SXLOBPIMSA-N 2 0 347.551 3.356 20 0 EGADRP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc2c(c1)OCO2 ZINC000873200304 1297346373 /nfs/dbraw/zinc/34/63/73/1297346373.db2.gz BEJYPKIXOGXVIF-UHFFFAOYSA-N 2 0 330.453 3.145 20 0 EGADRP O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206209 1297351968 /nfs/dbraw/zinc/35/19/68/1297351968.db2.gz XGIKVKGSNFVYBP-QUCCMNQESA-N 2 0 342.508 3.482 20 0 EGADRP Cn1nnc2cc(C[N@@H+]3CCC[C@H](C[C@H]([NH3+])C4CCCC4)C3)ccc21 ZINC000873232004 1297372190 /nfs/dbraw/zinc/37/21/90/1297372190.db2.gz IWAFGSLSQCQKGA-QAPCUYQASA-N 2 0 341.503 3.088 20 0 EGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873255136 1297393270 /nfs/dbraw/zinc/39/32/70/1297393270.db2.gz DMAJRVTXBYLYKF-XFQXTVEOSA-N 2 0 328.431 3.445 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc(Br)s1 ZINC000873263820 1297395779 /nfs/dbraw/zinc/39/57/79/1297395779.db2.gz KSNFMFFFNJZZHP-MMWGEVLESA-N 2 0 330.295 3.087 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873261945 1297396092 /nfs/dbraw/zinc/39/60/92/1297396092.db2.gz UEVQRJOZNYDNKO-MHZKCTCGSA-N 2 0 342.483 3.288 20 0 EGADRP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000873282451 1297408647 /nfs/dbraw/zinc/40/86/47/1297408647.db2.gz IAVVNGGGECXBJC-JFGNBEQYSA-N 2 0 333.785 3.232 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2c(c1)CCCO2 ZINC000873292229 1297414670 /nfs/dbraw/zinc/41/46/70/1297414670.db2.gz PQONOQTZWONTDB-MOPGFXCFSA-N 2 0 344.499 3.211 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cnc2ccsc2c1 ZINC000873293289 1297415646 /nfs/dbraw/zinc/41/56/46/1297415646.db2.gz YUJKQJPUAPMCHE-HIFRSBDPSA-N 2 0 331.485 3.106 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000355859081 1297460590 /nfs/dbraw/zinc/46/05/90/1297460590.db2.gz VYOWXUYYXDUNFM-VQTJNVASSA-N 2 0 343.515 3.030 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000382905929 1297566042 /nfs/dbraw/zinc/56/60/42/1297566042.db2.gz IQXFCMFABGVLIB-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000383084438 1297566551 /nfs/dbraw/zinc/56/65/51/1297566551.db2.gz JSICWSJSHZPRKR-INIZCTEOSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000387628034 1297597698 /nfs/dbraw/zinc/59/76/98/1297597698.db2.gz DPORHZJPMAKYJA-NQIIRXRSSA-N 2 0 345.531 3.039 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2csc(Br)c2)cc1 ZINC000398067361 1297712677 /nfs/dbraw/zinc/71/26/77/1297712677.db2.gz OCZPIRKHGDDZGU-UHFFFAOYSA-N 2 0 325.275 3.302 20 0 EGADRP CCCN1CC[C@@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000401319615 1297739852 /nfs/dbraw/zinc/73/98/52/1297739852.db2.gz IFJAHHZIGDPHJX-GOSISDBHSA-N 2 0 347.503 3.285 20 0 EGADRP C[C@@H]1CN(C(=O)CCCCC[NH3+])[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404513036 1297755753 /nfs/dbraw/zinc/75/57/53/1297755753.db2.gz QTBPAWGBZRVFCB-KZNAEPCWSA-N 2 0 331.504 3.015 20 0 EGADRP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444804518 1297860272 /nfs/dbraw/zinc/86/02/72/1297860272.db2.gz PPAATNVYDOXFKK-NVXWUHKLSA-N 2 0 340.471 3.189 20 0 EGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000585089160 1298026055 /nfs/dbraw/zinc/02/60/55/1298026055.db2.gz QYVFTQSVXHGUOW-UHFFFAOYSA-N 2 0 346.700 3.319 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686219200 1298114685 /nfs/dbraw/zinc/11/46/85/1298114685.db2.gz XPOZDVJZYPRZOI-HOTGVXAUSA-N 2 0 341.540 3.342 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000692963875 1298146921 /nfs/dbraw/zinc/14/69/21/1298146921.db2.gz PNQJOVZKPCMERI-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000699211221 1298169377 /nfs/dbraw/zinc/16/93/77/1298169377.db2.gz QMJJKNOQGYMJTJ-XSLAUPDRSA-N 2 0 327.516 3.113 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700803858 1298180412 /nfs/dbraw/zinc/18/04/12/1298180412.db2.gz NFXUEEWHJOJEOM-IKGGRYGDSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000704001503 1298204477 /nfs/dbraw/zinc/20/44/77/1298204477.db2.gz MFHBMOPSVOPFLU-NVXWUHKLSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000704001504 1298204796 /nfs/dbraw/zinc/20/47/96/1298204796.db2.gz MFHBMOPSVOPFLU-RDJZCZTQSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000708588440 1298242237 /nfs/dbraw/zinc/24/22/37/1298242237.db2.gz UMDGXZZFRQJCPT-FXAWDEMLSA-N 2 0 334.467 3.192 20 0 EGADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)C[NH2+]C(C)(C)C)CCCCC1 ZINC000714230886 1298273108 /nfs/dbraw/zinc/27/31/08/1298273108.db2.gz KXWBZQQOKUDKAJ-UHFFFAOYSA-N 2 0 345.531 3.326 20 0 EGADRP [NH3+]CCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715050779 1298276895 /nfs/dbraw/zinc/27/68/95/1298276895.db2.gz LGBUEPAFXHGJEU-UXHICEINSA-N 2 0 343.515 3.019 20 0 EGADRP c1c(C[NH2+]C2CC(OCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000716298479 1298299438 /nfs/dbraw/zinc/29/94/38/1298299438.db2.gz QDCZCGYZBCENCR-UHFFFAOYSA-N 2 0 328.481 3.231 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000717579802 1298303900 /nfs/dbraw/zinc/30/39/00/1298303900.db2.gz PISHEHFXXBELHV-NRFANRHFSA-N 3 0 329.532 3.220 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720814063 1298329175 /nfs/dbraw/zinc/32/91/75/1298329175.db2.gz DLQKXGFFFMTJFI-SDZDHKAXSA-N 2 0 328.500 3.444 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCCCC[NH+](C)C)C[C@H]1C ZINC000748961879 1299117245 /nfs/dbraw/zinc/11/72/45/1299117245.db2.gz XOXSYLNZLIMRAK-QZTJIDSGSA-N 2 0 340.556 3.013 20 0 EGADRP CSC(C)(C)CC[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000877076822 1299147693 /nfs/dbraw/zinc/14/76/93/1299147693.db2.gz RODVLUAXDZUHAW-UHFFFAOYSA-N 2 0 336.545 3.265 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000877447413 1299306949 /nfs/dbraw/zinc/30/69/49/1299306949.db2.gz YODYZNCFGQKHEX-RZQQEMMASA-N 2 0 343.515 3.466 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877524640 1299367872 /nfs/dbraw/zinc/36/78/72/1299367872.db2.gz AAGWROYKLYFXRA-INIZCTEOSA-N 2 0 339.524 3.001 20 0 EGADRP CCc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000751863631 1299638302 /nfs/dbraw/zinc/63/83/02/1299638302.db2.gz SJHYCRFYRAGWQZ-GOSISDBHSA-N 2 0 339.483 3.274 20 0 EGADRP C=C/C=C\CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878607799 1300104332 /nfs/dbraw/zinc/10/43/32/1300104332.db2.gz ZATIIOLBNZGACK-VKUXZERMSA-N 2 0 325.500 3.011 20 0 EGADRP C[NH+]1CCC([C@@H]2CCN(Cn3nc(C4CC4)sc3=S)C2)CC1 ZINC000755774619 1300394822 /nfs/dbraw/zinc/39/48/22/1300394822.db2.gz IOPFWZIDWQQOOQ-CQSZACIVSA-N 2 0 338.546 3.173 20 0 EGADRP Cc1nccn1CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879219902 1300432943 /nfs/dbraw/zinc/43/29/43/1300432943.db2.gz AEPAXQZFYIOJEC-CALCHBBNSA-N 2 0 348.491 3.055 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000759639592 1301134854 /nfs/dbraw/zinc/13/48/54/1301134854.db2.gz DIFXVFHRMIJCRC-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2F)[C@H](C)C1 ZINC000765872082 1302343986 /nfs/dbraw/zinc/34/39/86/1302343986.db2.gz UPEDCDHGCMGOFV-WBMJQRKESA-N 2 0 343.284 3.451 20 0 EGADRP CCCC[N@H+](C)CC1CCN(Cn2ccc(-c3nccs3)n2)CC1 ZINC000766093101 1302389184 /nfs/dbraw/zinc/38/91/84/1302389184.db2.gz OGZGRDKQJCDAFR-UHFFFAOYSA-N 2 0 347.532 3.408 20 0 EGADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)C1CCCCC1 ZINC000766369221 1302439102 /nfs/dbraw/zinc/43/91/02/1302439102.db2.gz WHOQZLOQKVTCCN-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000883461834 1302452753 /nfs/dbraw/zinc/45/27/53/1302452753.db2.gz DYMQQHJDBYDERT-VQTJNVASSA-N 2 0 346.515 3.266 20 0 EGADRP c1ccc2c(c1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)C[C@@H]1CCCN21 ZINC000883462714 1302453408 /nfs/dbraw/zinc/45/34/08/1302453408.db2.gz YBJJZMZYZGOUPA-FQEVSTJZSA-N 2 0 333.479 3.317 20 0 EGADRP Cc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C)o1 ZINC000767364290 1302652211 /nfs/dbraw/zinc/65/22/11/1302652211.db2.gz ZHBOFXGLYYZJMP-OAQYLSRUSA-N 2 0 341.499 3.365 20 0 EGADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000884329059 1302815143 /nfs/dbraw/zinc/81/51/43/1302815143.db2.gz FPOSNJGMCMDOFH-HOJAQTOUSA-N 2 0 345.531 3.037 20 0 EGADRP CN(C)C(=O)c1cccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886496688 1303477313 /nfs/dbraw/zinc/47/73/13/1303477313.db2.gz CUWCJACROVYVBG-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000886541153 1303492434 /nfs/dbraw/zinc/49/24/34/1303492434.db2.gz RBDFDYQOJISTGQ-SCCNAQOGSA-N 2 0 347.547 3.164 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCN2CC(F)F)CC1 ZINC000886641234 1303535164 /nfs/dbraw/zinc/53/51/64/1303535164.db2.gz DHSUGZVLZKSXCF-PQUAAJSLSA-N 2 0 329.479 3.103 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000886640320 1303535475 /nfs/dbraw/zinc/53/54/75/1303535475.db2.gz WPBIUNMHYWINFH-QNGMFEMESA-N 3 0 333.564 3.495 20 0 EGADRP CN(C)[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000774981249 1303885296 /nfs/dbraw/zinc/88/52/96/1303885296.db2.gz XZBZTNAWWBXMBF-INIZCTEOSA-N 2 0 327.513 3.001 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000775909265 1304059937 /nfs/dbraw/zinc/05/99/37/1304059937.db2.gz QPBVQYQDRJPPMK-UHFFFAOYSA-N 2 0 343.515 3.148 20 0 EGADRP C[C@H]1C[C@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777697660 1304336180 /nfs/dbraw/zinc/33/61/80/1304336180.db2.gz YNPFKBFULLVSOC-FXAWDEMLSA-N 2 0 344.547 3.359 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](CCCCO)CC1 ZINC000777980423 1304377114 /nfs/dbraw/zinc/37/71/14/1304377114.db2.gz CDKOIVIUSKCVEN-UHFFFAOYSA-N 2 0 327.472 3.000 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000780746970 1304733172 /nfs/dbraw/zinc/73/31/72/1304733172.db2.gz SWVVWWUWKVHLGT-GJZGRUSLSA-N 2 0 346.462 3.065 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000781421371 1304825460 /nfs/dbraw/zinc/82/54/60/1304825460.db2.gz QDDWNPNKHYJOCT-VNTMZGSJSA-N 2 0 340.467 3.203 20 0 EGADRP CN(Cc1ccnc(N(C)C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000782174493 1304924830 /nfs/dbraw/zinc/92/48/30/1304924830.db2.gz GWVPIOTZVMKHQK-FQEVSTJZSA-N 2 0 338.499 3.102 20 0 EGADRP CCC(CC)(CNC(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000891550432 1305087778 /nfs/dbraw/zinc/08/77/78/1305087778.db2.gz VFYKRMHXJFCORJ-SOLBZPMBSA-N 2 0 346.519 3.027 20 0 EGADRP CCCSC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000892397374 1305350598 /nfs/dbraw/zinc/35/05/98/1305350598.db2.gz NBBDKDYMEIXLQV-INIZCTEOSA-N 2 0 336.545 3.265 20 0 EGADRP COCCOC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000892945238 1305619440 /nfs/dbraw/zinc/61/94/40/1305619440.db2.gz ZLYPUJLKWBWRPX-GOSISDBHSA-N 2 0 334.504 3.060 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1CC[NH+](C)CC1 ZINC000893103173 1305707706 /nfs/dbraw/zinc/70/77/06/1305707706.db2.gz MCPIAJVKXRCUMW-ROUUACIJSA-N 3 0 329.532 3.074 20 0 EGADRP C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893413553 1305881903 /nfs/dbraw/zinc/88/19/03/1305881903.db2.gz WKALUMMRVMKMAG-LPHOPBHVSA-N 2 0 338.499 3.298 20 0 EGADRP C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893413555 1305883201 /nfs/dbraw/zinc/88/32/01/1305883201.db2.gz WKALUMMRVMKMAG-QFBILLFUSA-N 2 0 338.499 3.298 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000788497916 1305957276 /nfs/dbraw/zinc/95/72/76/1305957276.db2.gz LCBHWGGGXKOJLH-CVEARBPZSA-N 2 0 341.540 3.199 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788586643 1305975202 /nfs/dbraw/zinc/97/52/02/1305975202.db2.gz FDVWHOCNSLSHDY-FUHWJXTLSA-N 2 0 325.456 3.002 20 0 EGADRP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3nccc4ccccc43)nc2)C1 ZINC000894360018 1306359992 /nfs/dbraw/zinc/35/99/92/1306359992.db2.gz SFHVMYLWKMAZPR-GOSISDBHSA-N 2 0 347.466 3.382 20 0 EGADRP CN(CCC[NH+](C)C)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000894448735 1308895502 /nfs/dbraw/zinc/89/55/02/1308895502.db2.gz GUZKWHPSYUQWLH-UHFFFAOYSA-N 2 0 335.492 3.095 20 0 EGADRP CC[N@H+](Cc1cn(C)nc1C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455262 1308899927 /nfs/dbraw/zinc/89/99/27/1308899927.db2.gz BMYDSGMYFHILHI-UHFFFAOYSA-N 2 0 326.488 3.381 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000894534920 1308943250 /nfs/dbraw/zinc/94/32/50/1308943250.db2.gz WHPKNNFELCMPHK-UHFFFAOYSA-N 2 0 331.435 3.488 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895296375 1309274877 /nfs/dbraw/zinc/27/48/77/1309274877.db2.gz IDZTXFLOZMJNPE-STQMWFEESA-N 2 0 345.409 3.352 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795898829 1309857074 /nfs/dbraw/zinc/85/70/74/1309857074.db2.gz JAXYGQXEDMXVER-ROUUACIJSA-N 2 0 338.536 3.267 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817578521 1319401242 /nfs/dbraw/zinc/40/12/42/1319401242.db2.gz VSKCZMLQGFQARX-ZDUSSCGKSA-N 2 0 344.322 3.288 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799014251 1310469058 /nfs/dbraw/zinc/46/90/58/1310469058.db2.gz FGXAAXNIKLNBGR-UTKZUKDTSA-N 2 0 345.531 3.182 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccccc1OC ZINC000800368744 1310744204 /nfs/dbraw/zinc/74/42/04/1310744204.db2.gz BJJQOLLQKYITDV-LJQANCHMSA-N 2 0 333.520 3.152 20 0 EGADRP CN(C)c1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)c2ccccc21 ZINC000929283969 1328556834 /nfs/dbraw/zinc/55/68/34/1328556834.db2.gz WZSBEFWGZYKJNZ-UHFFFAOYSA-N 2 0 326.488 3.074 20 0 EGADRP C[N@H+](CCN1CC[NH+](CCSC(C)(C)C)CC1)Cc1ccccc1 ZINC000801919529 1316966039 /nfs/dbraw/zinc/96/60/39/1316966039.db2.gz JSCDKKBNIMCYMD-UHFFFAOYSA-N 2 0 349.588 3.268 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCSC(C)(C)C)CC2)CC1 ZINC000801934214 1316968484 /nfs/dbraw/zinc/96/84/84/1316968484.db2.gz JPXUEENDTHFXQA-UHFFFAOYSA-N 2 0 327.582 3.009 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001019466231 1317262142 /nfs/dbraw/zinc/26/21/42/1317262142.db2.gz RYMDQPPXUKAKNX-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000957579152 1317474152 /nfs/dbraw/zinc/47/41/52/1317474152.db2.gz IIYWWFKXQFYBSX-UHFFFAOYSA-N 2 0 340.471 3.063 20 0 EGADRP CNc1ccccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000902228919 1317548568 /nfs/dbraw/zinc/54/85/68/1317548568.db2.gz MARQQCWPSCMGKL-UHFFFAOYSA-N 2 0 339.483 3.493 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2NC)[C@H](C)C1 ZINC000902245361 1317551664 /nfs/dbraw/zinc/55/16/64/1317551664.db2.gz QCKBUKBHOVHULV-IEBWSBKVSA-N 2 0 333.520 3.263 20 0 EGADRP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[NH2+]CC(C)(C)C3)C2)c1 ZINC000902327105 1317564480 /nfs/dbraw/zinc/56/44/80/1317564480.db2.gz DSQCFOPMHOLQSK-DLBZAZTESA-N 2 0 331.504 3.032 20 0 EGADRP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)ccc2NC1=O ZINC000902333178 1317564491 /nfs/dbraw/zinc/56/44/91/1317564491.db2.gz HUEGOBZFQXCZED-LXZKKBNFSA-N 2 0 345.487 3.225 20 0 EGADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902348425 1317566739 /nfs/dbraw/zinc/56/67/39/1317566739.db2.gz LVUZYPYIRXAEKY-YJBOKZPZSA-N 2 0 331.504 3.083 20 0 EGADRP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902373249 1317569563 /nfs/dbraw/zinc/56/95/63/1317569563.db2.gz BOTPWNPLCMEOGD-KRWDZBQOSA-N 2 0 345.531 3.006 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437214 1317578596 /nfs/dbraw/zinc/57/85/96/1317578596.db2.gz HGSULALSFOKJNB-FBEWHJACSA-N 2 0 335.495 3.111 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](CC)Cc2ccccc2)CC1)[NH+](C)C ZINC000957726797 1317593858 /nfs/dbraw/zinc/59/38/58/1317593858.db2.gz YXUNMEPARGJFOK-HXUWFJFHSA-N 2 0 345.531 3.087 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020214564 1317596461 /nfs/dbraw/zinc/59/64/61/1317596461.db2.gz XBTHJRUZOUJWEE-FHWLQOOXSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001020239871 1317605404 /nfs/dbraw/zinc/60/54/04/1317605404.db2.gz KXKLGUZBZVOGGS-QWFCFKBJSA-N 2 0 347.547 3.211 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C[NH+](CC)CC3CC3)CC2)C1 ZINC000957744832 1317610576 /nfs/dbraw/zinc/61/05/76/1317610576.db2.gz QKEQQLWHZUQKLH-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000902833030 1317622684 /nfs/dbraw/zinc/62/26/84/1317622684.db2.gz UMPVVPLZUWABOV-TZIWHRDSSA-N 2 0 346.515 3.081 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902839881 1317622973 /nfs/dbraw/zinc/62/29/73/1317622973.db2.gz VXMUSYQJTBHMKJ-GXTWGEPZSA-N 2 0 333.398 3.108 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001020289324 1317628447 /nfs/dbraw/zinc/62/84/47/1317628447.db2.gz XYVYBNYESACPTB-LWYYNNOASA-N 2 0 347.547 3.211 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CN2C(=O)CCC2(C)C)CC1)CC1CC1 ZINC000808174318 1317638887 /nfs/dbraw/zinc/63/88/87/1317638887.db2.gz FSCOKQZXIFIGFZ-UHFFFAOYSA-N 2 0 335.536 3.179 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020340237 1317651537 /nfs/dbraw/zinc/65/15/37/1317651537.db2.gz LLRYKGMHTXNRPN-VAMGGRTRSA-N 2 0 349.563 3.314 20 0 EGADRP c1ccc(C[NH+]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903098879 1317651693 /nfs/dbraw/zinc/65/16/93/1317651693.db2.gz UYMUNJMDOGHJQB-VCWGRIPDSA-N 2 0 339.527 3.398 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC(c3cccc(F)c3)C1)C2 ZINC000903119365 1317657073 /nfs/dbraw/zinc/65/70/73/1317657073.db2.gz ZIAJUAGJBJWKKS-ZWCODDFTSA-N 2 0 346.490 3.141 20 0 EGADRP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000903119091 1317657286 /nfs/dbraw/zinc/65/72/86/1317657286.db2.gz QVCXLICVNFOTEF-MYGYKHERSA-N 2 0 330.516 3.434 20 0 EGADRP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000903119095 1317657477 /nfs/dbraw/zinc/65/74/77/1317657477.db2.gz QVCXLICVNFOTEF-YNWKUBOOSA-N 2 0 330.516 3.434 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000903127956 1317659520 /nfs/dbraw/zinc/65/95/20/1317659520.db2.gz PBQIYELDWJSUPQ-ZVQYLBPPSA-N 2 0 332.513 3.232 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000903255076 1317681145 /nfs/dbraw/zinc/68/11/45/1317681145.db2.gz WJXRAPNPMMFPGT-PYBGIAKNSA-N 2 0 334.426 3.483 20 0 EGADRP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)c1cccc(OC)c1 ZINC000903723099 1317724220 /nfs/dbraw/zinc/72/42/20/1317724220.db2.gz SWDIKXSWYDPZMG-VQIMIIECSA-N 2 0 332.488 3.237 20 0 EGADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727970 1317725634 /nfs/dbraw/zinc/72/56/34/1317725634.db2.gz ZZPICNGQUUYJLO-YQVWRLOYSA-N 2 0 334.891 3.116 20 0 EGADRP Fc1ccc(C[N@H+](CC2CC2)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903729698 1317727629 /nfs/dbraw/zinc/72/76/29/1317727629.db2.gz QSDBPKPUTCKKPR-LJQANCHMSA-N 2 0 332.463 3.196 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1c1ccccc1 ZINC000903782000 1317733162 /nfs/dbraw/zinc/73/31/62/1317733162.db2.gz CUFRRQAMBLYQAI-HOJAQTOUSA-N 2 0 328.500 3.271 20 0 EGADRP C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786206 1317734311 /nfs/dbraw/zinc/73/43/11/1317734311.db2.gz GFSMSRLTOXWFEB-YZGWKJHDSA-N 2 0 328.500 3.413 20 0 EGADRP OC[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000903906181 1317746052 /nfs/dbraw/zinc/74/60/52/1317746052.db2.gz UBKIHNOCUYYXFU-JOCHJYFZSA-N 2 0 336.479 3.105 20 0 EGADRP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904410001 1317844093 /nfs/dbraw/zinc/84/40/93/1317844093.db2.gz LKGLEVCALVSLRR-ZDUSSCGKSA-N 2 0 326.868 3.308 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020675867 1317852926 /nfs/dbraw/zinc/85/29/26/1317852926.db2.gz IODDPIUMNCEKFW-FHWLQOOXSA-N 2 0 335.536 3.066 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905024035 1317914691 /nfs/dbraw/zinc/91/46/91/1317914691.db2.gz HRZVXTSPIIAZKQ-HXUWFJFHSA-N 2 0 348.531 3.064 20 0 EGADRP CSC1(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC[NH+](C)CC1 ZINC000810169970 1317968406 /nfs/dbraw/zinc/96/84/06/1317968406.db2.gz CXLVVUYSIOEOCJ-UHFFFAOYSA-N 2 0 334.529 3.317 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020927677 1318001667 /nfs/dbraw/zinc/00/16/67/1318001667.db2.gz OBRDFXXQZMZQEA-LWYYNNOASA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021274409 1318167425 /nfs/dbraw/zinc/16/74/25/1318167425.db2.gz WTUQYMCQVQBYKX-XVLXNVKGSA-N 2 0 335.536 3.019 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC1 ZINC001021401891 1318233812 /nfs/dbraw/zinc/23/38/12/1318233812.db2.gz ZCQOYOXANBNDTK-YQQQUEKLSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000960014758 1318312563 /nfs/dbraw/zinc/31/25/63/1318312563.db2.gz YWSXACXQZMZOHK-MJGOQNOKSA-N 2 0 335.536 3.020 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960075969 1318340481 /nfs/dbraw/zinc/34/04/81/1318340481.db2.gz DZKDJEIGRCDVDH-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000960088028 1318346698 /nfs/dbraw/zinc/34/66/98/1318346698.db2.gz TXADNSVWOWZGPY-CMKODMSKSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858490758 1328776941 /nfs/dbraw/zinc/77/69/41/1328776941.db2.gz NMOMSJKDAJWZLL-CVEARBPZSA-N 2 0 331.460 3.026 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491370 1328777786 /nfs/dbraw/zinc/77/77/86/1328777786.db2.gz GHVKAGCBZICMHD-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001021906895 1318727707 /nfs/dbraw/zinc/72/77/07/1318727707.db2.gz ZZLRKAQZRXEJFE-QCRHNUIXSA-N 2 0 349.563 3.170 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001022077016 1318792697 /nfs/dbraw/zinc/79/26/97/1318792697.db2.gz HSKFJPXMEQBNMV-HAGHYFMRSA-N 2 0 347.547 3.068 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)o1 ZINC000912811134 1318938984 /nfs/dbraw/zinc/93/89/84/1318938984.db2.gz FDUUMNLQXZYLRE-SJLPKXTDSA-N 2 0 349.519 3.314 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001022434342 1318941092 /nfs/dbraw/zinc/94/10/92/1318941092.db2.gz FXTHRNVTDDDTIP-HDICACEKSA-N 2 0 338.455 3.075 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)CC1CCCCCC1 ZINC000960840609 1318974559 /nfs/dbraw/zinc/97/45/59/1318974559.db2.gz YEHXADNGIPHUPC-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000817416270 1319355285 /nfs/dbraw/zinc/35/52/85/1319355285.db2.gz XHAHJYIFWYFOHR-CIDNJEQPSA-N 2 0 346.462 3.206 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961256097 1319403982 /nfs/dbraw/zinc/40/39/82/1319403982.db2.gz HJHDNBSWKWTUDR-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001023274429 1319406990 /nfs/dbraw/zinc/40/69/90/1319406990.db2.gz ZJHLCPBPCMVHSR-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000915097052 1319422038 /nfs/dbraw/zinc/42/20/38/1319422038.db2.gz GJDBBJYKZIYEKX-UHFFFAOYSA-N 2 0 347.547 3.120 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902560 1319457046 /nfs/dbraw/zinc/45/70/46/1319457046.db2.gz TYWIMIVLXXSFLT-XHDPSFHLSA-N 2 0 329.257 3.108 20 0 EGADRP OC1(c2cccnc2)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000817925236 1319463175 /nfs/dbraw/zinc/46/31/75/1319463175.db2.gz SUWFTOKWWHHVME-QHEDFCPTSA-N 2 0 343.515 3.112 20 0 EGADRP COc1ccc([C@H](C)NC[C@H]2CCCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817949341 1319472956 /nfs/dbraw/zinc/47/29/56/1319472956.db2.gz JCPSDZPQHKZGHI-FXAWDEMLSA-N 2 0 345.531 3.474 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)OCCCO2 ZINC000817947929 1319473191 /nfs/dbraw/zinc/47/31/91/1319473191.db2.gz GLTJJLCQNCWGEY-OAHLLOKOSA-N 2 0 326.440 3.200 20 0 EGADRP COc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817951585 1319475221 /nfs/dbraw/zinc/47/52/21/1319475221.db2.gz GVOAAHWCYVWTIB-LPHOPBHVSA-N 2 0 331.504 3.084 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023365126 1319477013 /nfs/dbraw/zinc/47/70/13/1319477013.db2.gz XOSHJQNUUUQCSU-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817964832 1319479819 /nfs/dbraw/zinc/47/98/19/1319479819.db2.gz KOLAQZRGLFIIAE-HNNXBMFYSA-N 2 0 331.460 3.074 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cn1cccn1 ZINC000817980161 1319484152 /nfs/dbraw/zinc/48/41/52/1319484152.db2.gz JKHXMCMPLKVNQK-QFBILLFUSA-N 2 0 342.487 3.123 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396501 1319502665 /nfs/dbraw/zinc/50/26/65/1319502665.db2.gz RTACGTWXTKIVFQ-INIZCTEOSA-N 2 0 349.544 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023402155 1319509115 /nfs/dbraw/zinc/50/91/15/1319509115.db2.gz HDSPEJWPUFCOBZ-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961377799 1319534701 /nfs/dbraw/zinc/53/47/01/1319534701.db2.gz ZYZJPKLBFNKLGI-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC000961381974 1319538485 /nfs/dbraw/zinc/53/84/85/1319538485.db2.gz DSRYDQIEPQLEHY-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001023446478 1319545510 /nfs/dbraw/zinc/54/55/10/1319545510.db2.gz QJLVKZXHUKBISO-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961410822 1319566438 /nfs/dbraw/zinc/56/64/38/1319566438.db2.gz JKQAAMZLNIDDTG-QUCCMNQESA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000818964245 1319594022 /nfs/dbraw/zinc/59/40/22/1319594022.db2.gz OZMGYRWFTGCYJR-FQEVSTJZSA-N 2 0 330.447 3.491 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819105553 1319636003 /nfs/dbraw/zinc/63/60/03/1319636003.db2.gz HDEZHLKSOHEEAG-QGZVFWFLSA-N 2 0 328.859 3.224 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819133600 1319644469 /nfs/dbraw/zinc/64/44/69/1319644469.db2.gz TVINUMCHOPZUQK-WOSRLPQWSA-N 2 0 331.287 3.489 20 0 EGADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)[NH+]1CCCCC1 ZINC000819231207 1319675682 /nfs/dbraw/zinc/67/56/82/1319675682.db2.gz REGATKKZZJYSJF-CXAGYDPISA-N 2 0 328.859 3.367 20 0 EGADRP OC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC000819330189 1319700195 /nfs/dbraw/zinc/70/01/95/1319700195.db2.gz ZXIZSZIPZIITIP-IHWFROFDSA-N 2 0 328.500 3.467 20 0 EGADRP C[N@H+](CCCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000819363109 1319710159 /nfs/dbraw/zinc/71/01/59/1319710159.db2.gz UBCZLOQSFRNSFA-MRXNPFEDSA-N 2 0 330.394 3.203 20 0 EGADRP C[C@H]([NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC000962163904 1319840603 /nfs/dbraw/zinc/84/06/03/1319840603.db2.gz GIRMPVFHXTXXPF-MUYFXNHWSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@H](C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC000962384212 1319945285 /nfs/dbraw/zinc/94/52/85/1319945285.db2.gz BEGXPFHWRZEYEK-LRYGQEGESA-N 2 0 349.563 3.172 20 0 EGADRP COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000820806357 1319955339 /nfs/dbraw/zinc/95/53/39/1319955339.db2.gz GBQSPTVGGIPQHW-QRWLVFNGSA-N 2 0 328.456 3.141 20 0 EGADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000820814377 1319959092 /nfs/dbraw/zinc/95/90/92/1319959092.db2.gz JIWSEJHBQQBLJS-QUCCMNQESA-N 2 0 331.504 3.219 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1)C(C)C ZINC000827329483 1320444659 /nfs/dbraw/zinc/44/46/59/1320444659.db2.gz GWBVZADQXRWAJN-UXHICEINSA-N 2 0 343.515 3.083 20 0 EGADRP CN(c1ccc(NC2CC[NH+](C3CC3)CC2)cc1)C1CC[NH+](C)CC1 ZINC000838868470 1320826901 /nfs/dbraw/zinc/82/69/01/1320826901.db2.gz NNKSXXHULLSEIT-UHFFFAOYSA-N 2 0 342.531 3.256 20 0 EGADRP CCn1c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc2ccccc21 ZINC000839011757 1320850823 /nfs/dbraw/zinc/85/08/23/1320850823.db2.gz OBIKUHXTZAJZKR-UHFFFAOYSA-N 2 0 335.455 3.210 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000839180006 1320886501 /nfs/dbraw/zinc/88/65/01/1320886501.db2.gz BPBDBPKEVJJBJO-OAHLLOKOSA-N 2 0 348.491 3.250 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000841032944 1321204495 /nfs/dbraw/zinc/20/44/95/1321204495.db2.gz KKANXEPZURXOHN-SFHVURJKSA-N 2 0 339.483 3.367 20 0 EGADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841035417 1321205504 /nfs/dbraw/zinc/20/55/04/1321205504.db2.gz ZWIRRKWPMNSRGX-OAHLLOKOSA-N 2 0 326.440 3.027 20 0 EGADRP Cc1cc(CNC[C@H]([NH3+])C2CC2)cc(C)c1OCc1ccccn1 ZINC000841051029 1321209826 /nfs/dbraw/zinc/20/98/26/1321209826.db2.gz MUAPGCWIOXYDGG-IBGZPJMESA-N 2 0 325.456 3.104 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000841054817 1321211294 /nfs/dbraw/zinc/21/12/94/1321211294.db2.gz NPWHWKXLVVYEBZ-UHFFFAOYSA-N 2 0 332.879 3.313 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841080127 1321214661 /nfs/dbraw/zinc/21/46/61/1321214661.db2.gz QJIRIYZYQJZFPV-MRXNPFEDSA-N 2 0 330.863 3.066 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841077772 1321214922 /nfs/dbraw/zinc/21/49/22/1321214922.db2.gz CWKXSCPPGBXUNF-KRWDZBQOSA-N 2 0 344.890 3.125 20 0 EGADRP CC(C)[C@@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[C@@H](C)[NH3+] ZINC000841823788 1321319183 /nfs/dbraw/zinc/31/91/83/1321319183.db2.gz PWOYUWLSSXVJHX-RHSMWYFYSA-N 2 0 328.460 3.419 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000842471638 1321392281 /nfs/dbraw/zinc/39/22/81/1321392281.db2.gz NWGBAIMXQFUWQG-UHFFFAOYSA-N 2 0 349.494 3.063 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000843339982 1321502096 /nfs/dbraw/zinc/50/20/96/1321502096.db2.gz GLSWJYCIOKDWBC-NWJSVONSSA-N 2 0 329.271 3.005 20 0 EGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355023 1321504948 /nfs/dbraw/zinc/50/49/48/1321504948.db2.gz JHYAMKLAQSXOBW-ODIFPOPNSA-N 2 0 343.471 3.154 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000843355463 1321505511 /nfs/dbraw/zinc/50/55/11/1321505511.db2.gz QNTZPPFWHBWLGN-UHFFFAOYSA-N 2 0 343.393 3.236 20 0 EGADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000844922938 1321658185 /nfs/dbraw/zinc/65/81/85/1321658185.db2.gz DFPRBPWUTHSKES-IAGOWNOFSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H](C(=O)Nc1ccc2ccccc2c1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846224958 1321777225 /nfs/dbraw/zinc/77/72/25/1321777225.db2.gz GJUUKVHCZQAQQO-YWMUFLPLSA-N 2 0 337.467 3.228 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])c2cc1C ZINC000846225461 1321778205 /nfs/dbraw/zinc/77/82/05/1321778205.db2.gz BTOACIOSDSPBTP-ACJLOTCBSA-N 2 0 328.456 3.359 20 0 EGADRP c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc2nonc12 ZINC000846835174 1321814866 /nfs/dbraw/zinc/81/48/66/1321814866.db2.gz VEKIADUXZCEFCW-UHFFFAOYSA-N 2 0 328.460 3.311 20 0 EGADRP CC(C)[NH+](CCCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(C)C ZINC000847541766 1321878449 /nfs/dbraw/zinc/87/84/49/1321878449.db2.gz DCKCLSIEAFCFRK-UHFFFAOYSA-N 2 0 333.520 3.029 20 0 EGADRP CC(C)c1ccccc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000848545251 1321973133 /nfs/dbraw/zinc/97/31/33/1321973133.db2.gz TVYFMQDIFMHPGT-UHFFFAOYSA-N 2 0 327.472 3.435 20 0 EGADRP C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000848566672 1321977803 /nfs/dbraw/zinc/97/78/03/1321977803.db2.gz DTWXDVFXFNKBBN-KRWDZBQOSA-N 2 0 327.472 3.133 20 0 EGADRP C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000848566673 1321978173 /nfs/dbraw/zinc/97/81/73/1321978173.db2.gz DTWXDVFXFNKBBN-QGZVFWFLSA-N 2 0 327.472 3.133 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000848888763 1322030693 /nfs/dbraw/zinc/03/06/93/1322030693.db2.gz BJPCEGQEWGFNBU-WIYYLYMNSA-N 2 0 329.532 3.268 20 0 EGADRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000849062054 1322063404 /nfs/dbraw/zinc/06/34/04/1322063404.db2.gz LSOUCGYHQLBAFH-SJORKVTESA-N 2 0 345.535 3.162 20 0 EGADRP Cc1ccsc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849060936 1322063645 /nfs/dbraw/zinc/06/36/45/1322063645.db2.gz VVVGSOAYRBMSKN-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP [NH2+]=C(NC[C@H]1CC=CCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849068342 1322064869 /nfs/dbraw/zinc/06/48/69/1322064869.db2.gz YULIMMNTKWENCC-KRWDZBQOSA-N 2 0 326.488 3.121 20 0 EGADRP C[N@H+](CCCNC(=[NH2+])Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000849081101 1322069804 /nfs/dbraw/zinc/06/98/04/1322069804.db2.gz HSVFQOSVKFXDLH-UHFFFAOYSA-N 2 0 332.398 3.423 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849084069 1322072079 /nfs/dbraw/zinc/07/20/79/1322072079.db2.gz VYDMZSFZBLUKOI-NSHDSACASA-N 2 0 332.370 3.252 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000849101064 1322078374 /nfs/dbraw/zinc/07/83/74/1322078374.db2.gz HLGHBTRWGZKSEU-HXUWFJFHSA-N 2 0 336.483 3.274 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=[NH2+])NC3CCC3)cc2)C1 ZINC000849110695 1322082073 /nfs/dbraw/zinc/08/20/73/1322082073.db2.gz KQLJHPFYQUDSEU-HOTGVXAUSA-N 2 0 328.504 3.331 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850554636 1322264937 /nfs/dbraw/zinc/26/49/37/1322264937.db2.gz CWPIKVOFEZJCFE-MRXNPFEDSA-N 2 0 331.287 3.489 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921535972 1322343214 /nfs/dbraw/zinc/34/32/14/1322343214.db2.gz MPDYRTSDSFQGQV-KRWDZBQOSA-N 2 0 331.504 3.133 20 0 EGADRP CCc1[nH]nc(Cl)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000921961941 1322430448 /nfs/dbraw/zinc/43/04/48/1322430448.db2.gz UMCRIZDTBFNLOY-UHFFFAOYSA-N 2 0 333.867 3.027 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC000922510682 1322545507 /nfs/dbraw/zinc/54/55/07/1322545507.db2.gz VRRZBWNDHJHFOB-UHFFFAOYSA-N 2 0 339.487 3.154 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000922587011 1322564142 /nfs/dbraw/zinc/56/41/42/1322564142.db2.gz VMPXBPFPQQNDSI-HXUWFJFHSA-N 2 0 325.456 3.263 20 0 EGADRP O[C@@H](c1ccc(F)cc1)C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923313255 1322731480 /nfs/dbraw/zinc/73/14/80/1322731480.db2.gz RDXIKGFMFOUIKY-WMKHZRKJSA-N 2 0 346.490 3.492 20 0 EGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321216 1322733366 /nfs/dbraw/zinc/73/33/66/1322733366.db2.gz AIWLNWVUINCYON-DMEROMKCSA-N 3 0 333.564 3.494 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)c1cccs1 ZINC000923504491 1322764480 /nfs/dbraw/zinc/76/44/80/1322764480.db2.gz YXDZSTWKBHHSHD-JKSUJKDBSA-N 2 0 349.544 3.027 20 0 EGADRP COc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1SC(F)(F)F ZINC000923519530 1322768382 /nfs/dbraw/zinc/76/83/82/1322768382.db2.gz SVIDWOJVLFMLHS-QWHCGFSZSA-N 2 0 346.418 3.348 20 0 EGADRP Cc1csc(C[C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000923552371 1322775873 /nfs/dbraw/zinc/77/58/73/1322775873.db2.gz XDBSBLUJMOSDLX-OAHLLOKOSA-N 2 0 327.497 3.162 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024010783 1323078056 /nfs/dbraw/zinc/07/80/56/1323078056.db2.gz XEPQJOZZJPGMHA-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024019226 1323080808 /nfs/dbraw/zinc/08/08/08/1323080808.db2.gz WQQHWAVZXFBUSA-ICSRJNTNSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924668489 1323104320 /nfs/dbraw/zinc/10/43/20/1323104320.db2.gz QRJOXIJNEPELPP-NVXWUHKLSA-N 2 0 338.927 3.192 20 0 EGADRP C[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670387 1323104391 /nfs/dbraw/zinc/10/43/91/1323104391.db2.gz ZPGAMIWHCUACQO-CVEARBPZSA-N 2 0 343.471 3.250 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnnn1C ZINC000924683442 1323111376 /nfs/dbraw/zinc/11/13/76/1323111376.db2.gz HAFUQGLRCOYTHE-BBWFWOEESA-N 2 0 341.503 3.144 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000924757928 1323148315 /nfs/dbraw/zinc/14/83/15/1323148315.db2.gz UVKAODHLBHANNN-GOSISDBHSA-N 2 0 336.495 3.077 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]Cc2ccccc2-n2ccnc2)CC1 ZINC000924770706 1323153615 /nfs/dbraw/zinc/15/36/15/1323153615.db2.gz RRGGCWSAQYEICM-UHFFFAOYSA-N 2 0 326.488 3.472 20 0 EGADRP CCCC[NH+]1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000924846157 1323185547 /nfs/dbraw/zinc/18/55/47/1323185547.db2.gz LAVLDPOYEAIEPY-UHFFFAOYSA-N 2 0 345.531 3.437 20 0 EGADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000924862392 1323191102 /nfs/dbraw/zinc/19/11/02/1323191102.db2.gz UTBQEEUIJJYNGC-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001024223860 1323213601 /nfs/dbraw/zinc/21/36/01/1323213601.db2.gz RZIHBVOKHCHCHY-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C2CC3(C2)CCCC3)c2ccccc2)CC1 ZINC000924927374 1323216397 /nfs/dbraw/zinc/21/63/97/1323216397.db2.gz JBCJITHDDOINID-FQEVSTJZSA-N 2 0 327.516 3.288 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000924959672 1323228634 /nfs/dbraw/zinc/22/86/34/1323228634.db2.gz LBJBASPFTUWTQU-MDYRTPRTSA-N 2 0 349.494 3.101 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000924959674 1323229219 /nfs/dbraw/zinc/22/92/19/1323229219.db2.gz LBJBASPFTUWTQU-VPWXQRGCSA-N 2 0 349.494 3.101 20 0 EGADRP c1csc(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000852762412 1323239099 /nfs/dbraw/zinc/23/90/99/1323239099.db2.gz MRLHWGJKYOXXRN-UHFFFAOYSA-N 2 0 344.528 3.360 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC000924993621 1323239592 /nfs/dbraw/zinc/23/95/92/1323239592.db2.gz PWNDQTVWRUUGPE-NEPJUHHUSA-N 2 0 348.293 3.419 20 0 EGADRP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479278 1323433466 /nfs/dbraw/zinc/43/34/66/1323433466.db2.gz DJNGZOUOFUZXIC-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524452 1323470400 /nfs/dbraw/zinc/47/04/00/1323470400.db2.gz VUYXORBYFZLWML-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524453 1323472143 /nfs/dbraw/zinc/47/21/43/1323472143.db2.gz VUYXORBYFZLWML-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535630 1323477430 /nfs/dbraw/zinc/47/74/30/1323477430.db2.gz VMAKOUOHCSPLJY-QGZVFWFLSA-N 2 0 342.487 3.355 20 0 EGADRP O=C(NC[C@H]1CCCC[N@@H+]1CC1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617461 1323546380 /nfs/dbraw/zinc/54/63/80/1323546380.db2.gz GYHJSKJAJUSYNV-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCC2)CC[N@@H+]1C ZINC001024620486 1323549213 /nfs/dbraw/zinc/54/92/13/1323549213.db2.gz WCDDFNAKJVTFGG-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025160355 1323930376 /nfs/dbraw/zinc/93/03/76/1323930376.db2.gz IKRRUGJPYKDMGR-RBUKOAKNSA-N 2 0 343.515 3.123 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CC2CCC2)CCC1 ZINC001025240851 1324033794 /nfs/dbraw/zinc/03/37/94/1324033794.db2.gz RNMFSEQNITYLBK-MOPGFXCFSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001025469497 1324315379 /nfs/dbraw/zinc/31/53/79/1324315379.db2.gz PZZNVELNBLXLTI-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]12 ZINC001026298530 1324710752 /nfs/dbraw/zinc/71/07/52/1324710752.db2.gz NPWPOVISIRUYDR-BHIYHBOVSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026506687 1324854783 /nfs/dbraw/zinc/85/47/83/1324854783.db2.gz FUIPKRAGIXWOBT-CTWPCTMYSA-N 2 0 335.536 3.066 20 0 EGADRP O=C(NC1CCC([NH2+]CCC2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001026507326 1324855479 /nfs/dbraw/zinc/85/54/79/1324855479.db2.gz PPHDXYMEHMAJBU-QLOJAFMTSA-N 2 0 347.547 3.211 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026515596 1324861200 /nfs/dbraw/zinc/86/12/00/1324861200.db2.gz BPBMTEAGMWGBOT-MHJFOBGBSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001026884763 1325061401 /nfs/dbraw/zinc/06/14/01/1325061401.db2.gz BOHYTFDPTFACKS-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963320008 1325105422 /nfs/dbraw/zinc/10/54/22/1325105422.db2.gz YKOGELSBPYFGQS-MHJFOBGBSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc2c1OCO2 ZINC000925301365 1325118765 /nfs/dbraw/zinc/11/87/65/1325118765.db2.gz UOJHLNQKDIAABU-OAHLLOKOSA-N 2 0 339.439 3.378 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345014 1325135288 /nfs/dbraw/zinc/13/52/88/1325135288.db2.gz CLSGESLVRMBAMN-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925471245 1325164934 /nfs/dbraw/zinc/16/49/34/1325164934.db2.gz BBNXPQFUOCCDID-UXHICEINSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364409 1325166053 /nfs/dbraw/zinc/16/60/53/1325166053.db2.gz CCWQAOAGRDEGRZ-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000925485271 1325171444 /nfs/dbraw/zinc/17/14/44/1325171444.db2.gz MQSQIMWEAYVTQG-ZVBHREPYSA-N 2 0 341.499 3.421 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000925486080 1325172561 /nfs/dbraw/zinc/17/25/61/1325172561.db2.gz DWHONDLQWVWWFX-JGUHSRANSA-N 2 0 333.907 3.272 20 0 EGADRP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925493874 1325177050 /nfs/dbraw/zinc/17/70/50/1325177050.db2.gz RZSGJHPGMMJIOT-CRAIPNDOSA-N 2 0 333.907 3.431 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925559347 1325207899 /nfs/dbraw/zinc/20/78/99/1325207899.db2.gz TXVFDKRXYPQXLX-OLMNPRSZSA-N 2 0 333.907 3.334 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000925580216 1325219636 /nfs/dbraw/zinc/21/96/36/1325219636.db2.gz KAFGBIKRQOIUFE-NVNBPMACSA-N 2 0 329.271 3.132 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cc(CO)on1 ZINC000925614773 1325231828 /nfs/dbraw/zinc/23/18/28/1325231828.db2.gz KOYXOWQIBNHADE-BQFCYCMXSA-N 2 0 343.471 3.118 20 0 EGADRP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925625528 1325236277 /nfs/dbraw/zinc/23/62/77/1325236277.db2.gz IQAQHTJYNOZCSF-MWDXBVQZSA-N 2 0 337.870 3.084 20 0 EGADRP C[NH+](C)[C@@H](CN[C@H]1CC[NH2+]C1(C)C)c1cccc(C(F)(F)F)c1 ZINC000925644142 1325244975 /nfs/dbraw/zinc/24/49/75/1325244975.db2.gz YLITWPGBVJKEHU-GJZGRUSLSA-N 2 0 329.410 3.038 20 0 EGADRP COc1ccccc1-c1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925716797 1325268610 /nfs/dbraw/zinc/26/86/10/1325268610.db2.gz QEINFQSEVDKRRV-KBPBESRZSA-N 2 0 329.444 3.346 20 0 EGADRP C[C@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000925843800 1325325958 /nfs/dbraw/zinc/32/59/58/1325325958.db2.gz PGIPLHSJWPYFLY-OYNPSCLESA-N 2 0 327.516 3.161 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925846351 1325326805 /nfs/dbraw/zinc/32/68/05/1325326805.db2.gz LZRXYBRVOGTJDX-PMACEKPBSA-N 2 0 344.547 3.081 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c(C)c1OC ZINC000925876787 1325339553 /nfs/dbraw/zinc/33/95/53/1325339553.db2.gz IGKMACPXVKPVQS-ZWKOTPCHSA-N 2 0 332.488 3.270 20 0 EGADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963903070 1325429113 /nfs/dbraw/zinc/42/91/13/1325429113.db2.gz XHXAMJGCMZFKAL-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963907656 1325431108 /nfs/dbraw/zinc/43/11/08/1325431108.db2.gz GYYGECIKHXGAEO-IPJUCJBFSA-N 2 0 335.536 3.020 20 0 EGADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000964184744 1325485847 /nfs/dbraw/zinc/48/58/47/1325485847.db2.gz ICVGYOVEYACCIR-XEVCZEQESA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000964436277 1325525095 /nfs/dbraw/zinc/52/50/95/1325525095.db2.gz APNHRDGKWVRREZ-MHJFOBGBSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000926475339 1325567890 /nfs/dbraw/zinc/56/78/90/1325567890.db2.gz TZJKPLCQGPFDCB-XSLAUPDRSA-N 2 0 329.532 3.359 20 0 EGADRP c1ccc(CON2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)cc1 ZINC000926485857 1325571863 /nfs/dbraw/zinc/57/18/63/1325571863.db2.gz CJPDJMDGFNOIGT-UHFFFAOYSA-N 2 0 345.531 3.438 20 0 EGADRP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486812 1325572227 /nfs/dbraw/zinc/57/22/27/1325572227.db2.gz JNHMHJGUPBDBSQ-UZLBHIALSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnnn1-c1ccccc1 ZINC000926488104 1325573378 /nfs/dbraw/zinc/57/33/78/1325573378.db2.gz SZCLPJYECGWXOI-QGZVFWFLSA-N 2 0 327.476 3.184 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027410661 1327636071 /nfs/dbraw/zinc/63/60/71/1327636071.db2.gz YKAKEWDPKRCLRG-MOPGFXCFSA-N 2 0 349.563 3.218 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCCC3)C2)CCC1 ZINC001027440865 1327678579 /nfs/dbraw/zinc/67/85/79/1327678579.db2.gz MTOUVJBIFJVHAR-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP COc1cccc([C@H](C[NH2+]C2CC[NH+](CCC(C)C)CC2)OC)c1 ZINC000926742307 1327694533 /nfs/dbraw/zinc/69/45/33/1327694533.db2.gz WRGJUVZUYJXTBY-FQEVSTJZSA-N 2 0 334.504 3.483 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477970 1327732252 /nfs/dbraw/zinc/73/22/52/1327732252.db2.gz OBHDONFKYAXPGH-IBGZPJMESA-N 2 0 345.531 3.038 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519653 1327792567 /nfs/dbraw/zinc/79/25/67/1327792567.db2.gz RPPXDCJMDPFUHM-LJQANCHMSA-N 2 0 347.547 3.284 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000927018694 1327822522 /nfs/dbraw/zinc/82/25/22/1327822522.db2.gz PWWVFHFCUZOROR-XBMUEBEBSA-N 2 0 336.520 3.101 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542939 1327847649 /nfs/dbraw/zinc/84/76/49/1327847649.db2.gz VOXRKOSXCWALAU-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCC3CCCC3)C2)CC[N@@H+]1C ZINC001027548050 1327853867 /nfs/dbraw/zinc/85/38/67/1327853867.db2.gz ZSGZSNOVYNFEJH-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001027575557 1327911586 /nfs/dbraw/zinc/91/15/86/1327911586.db2.gz BEEFMINTSITEDK-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001027575937 1327911837 /nfs/dbraw/zinc/91/18/37/1327911837.db2.gz GSLZBSLTQHIGGH-AZUAARDMSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CC3CCCCCC3)C2)C1 ZINC001027576534 1327914927 /nfs/dbraw/zinc/91/49/27/1327914927.db2.gz QNPWRAACKYJLNX-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000927291738 1327959176 /nfs/dbraw/zinc/95/91/76/1327959176.db2.gz ZSDICCAPRDLIHX-UHFFFAOYSA-N 2 0 344.503 3.277 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC3CCCC3)C2)CC1 ZINC001027636717 1328003562 /nfs/dbraw/zinc/00/35/62/1328003562.db2.gz GDDDMZXAACEESF-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027879199 1328345542 /nfs/dbraw/zinc/34/55/42/1328345542.db2.gz PAJBKDISWUMJFL-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027986310 1328457988 /nfs/dbraw/zinc/45/79/88/1328457988.db2.gz URMYUPRPIUFIAZ-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001028003053 1328465265 /nfs/dbraw/zinc/46/52/65/1328465265.db2.gz KTGYKEKXWWVRBD-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001028030060 1328493114 /nfs/dbraw/zinc/49/31/14/1328493114.db2.gz RDMWPUMPMOHVCH-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@@H](C[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000863315258 1329545757 /nfs/dbraw/zinc/54/57/57/1329545757.db2.gz QTNCYPMJFVKABJ-OXJNMPFZSA-N 2 0 349.519 3.009 20 0 EGADRP FC(F)(F)c1c[nH+]ccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000865484134 1329703964 /nfs/dbraw/zinc/70/39/64/1329703964.db2.gz BUOHMCZXUUXAMG-UHFFFAOYSA-N 2 0 343.393 3.039 20 0 EGADRP Cn1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c(-c2cc(F)ccc2F)n1 ZINC000865595527 1329717736 /nfs/dbraw/zinc/71/77/36/1329717736.db2.gz LIDCXKSASONLRX-UHFFFAOYSA-N 2 0 348.441 3.329 20 0 EGADRP Cc1nc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)[nH]c1C ZINC000865718256 1329732109 /nfs/dbraw/zinc/73/21/09/1329732109.db2.gz WVSJJJKGQVVHMV-UHFFFAOYSA-N 2 0 326.488 3.418 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000933258947 1329875474 /nfs/dbraw/zinc/87/54/74/1329875474.db2.gz UTJSQCFHTPFLMB-PKOBYXMFSA-N 2 0 345.531 3.276 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@H]1C ZINC000933368097 1329883507 /nfs/dbraw/zinc/88/35/07/1329883507.db2.gz IPRPOENIYVGNKF-IAGOWNOFSA-N 2 0 347.503 3.210 20 0 EGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CC[NH2+]C(C)(C)C ZINC000934740301 1330004407 /nfs/dbraw/zinc/00/44/07/1330004407.db2.gz POJPEDQYHGFZIO-IRXDYDNUSA-N 2 0 345.531 3.037 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000934740302 1330004419 /nfs/dbraw/zinc/00/44/19/1330004419.db2.gz POJPEDQYHGFZIO-YRWFTTLQSA-N 2 0 345.531 3.037 20 0 EGADRP C[C@@H]1C[C@@H](CCNC(=O)CC[NH2+]C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000935058009 1330025852 /nfs/dbraw/zinc/02/58/52/1330025852.db2.gz FLQQDOJKUMASGD-IEBWSBKVSA-N 2 0 345.531 3.182 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3c(F)cccc32)ccn1 ZINC000866312604 1330095001 /nfs/dbraw/zinc/09/50/01/1330095001.db2.gz OWNWLNFHZJKGKH-LJQANCHMSA-N 2 0 343.446 3.328 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000943875009 1332286644 /nfs/dbraw/zinc/28/66/44/1332286644.db2.gz AJIYNJOPNKYNMA-PXNSSMCTSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945338326 1332560978 /nfs/dbraw/zinc/56/09/78/1332560978.db2.gz ZYAGRJZYMHVUKL-FUHWJXTLSA-N 2 0 349.519 3.362 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946904920 1332929756 /nfs/dbraw/zinc/92/97/56/1332929756.db2.gz TUFNHWFPAHIUBM-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC1CCCC1 ZINC000947498560 1333148087 /nfs/dbraw/zinc/14/80/87/1333148087.db2.gz VYRHOKCFCAUNJY-HKUYNNGSSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569065 1333174875 /nfs/dbraw/zinc/17/48/75/1333174875.db2.gz RHVNOPVWWBSFEH-PKOBYXMFSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723848 1333241107 /nfs/dbraw/zinc/24/11/07/1333241107.db2.gz YVSKAKPCVSRTPE-YLJYHZDGSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCC(C)(C)C ZINC000947727545 1333242378 /nfs/dbraw/zinc/24/23/78/1333242378.db2.gz YXABLTAJFNQLFP-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC1CCC1 ZINC000947799779 1333265835 /nfs/dbraw/zinc/26/58/35/1333265835.db2.gz CSDYKAALFKDYER-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948245403 1333439720 /nfs/dbraw/zinc/43/97/20/1333439720.db2.gz QAWUHEVRSBKFLL-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439493 1333525584 /nfs/dbraw/zinc/52/55/84/1333525584.db2.gz QMRATVXXUNBTFR-RBUKOAKNSA-N 2 0 337.552 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439762 1333526439 /nfs/dbraw/zinc/52/64/39/1333526439.db2.gz VDYZSDFPIOJJMU-IEBWSBKVSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440024 1333526598 /nfs/dbraw/zinc/52/65/98/1333526598.db2.gz ZQYPOIBRMVROJR-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473953 1333540016 /nfs/dbraw/zinc/54/00/16/1333540016.db2.gz NQQHVRPNZPCFFU-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620847 1333599991 /nfs/dbraw/zinc/59/99/91/1333599991.db2.gz JLWCLSCQTUITPX-WMZOPIPTSA-N 2 0 342.487 3.307 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC000948717024 1333644541 /nfs/dbraw/zinc/64/45/41/1333644541.db2.gz KEGMOSASMWAEMN-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726084 1333648524 /nfs/dbraw/zinc/64/85/24/1333648524.db2.gz MZDFTMDVPBWMGU-KRWDZBQOSA-N 2 0 335.492 3.068 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775384 1333673703 /nfs/dbraw/zinc/67/37/03/1333673703.db2.gz HGNTUNYNSYNDTD-PKOBYXMFSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948775480 1333674799 /nfs/dbraw/zinc/67/47/99/1333674799.db2.gz JOFPUYMYSFJXQU-IEBWSBKVSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@H](N(C)C(=O)Cc3ncc[nH]3)CC2)CC1 ZINC000948886403 1333719474 /nfs/dbraw/zinc/71/94/74/1333719474.db2.gz NLBJNIMYZLWZSQ-ABHNRTSZSA-N 2 0 346.519 3.091 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2ncc[nH]2)CC1 ZINC000948886951 1333719742 /nfs/dbraw/zinc/71/97/42/1333719742.db2.gz UOAKXEVRCLLCLD-SJLPKXTDSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C(=O)Cc2ncc[nH]2)CC1 ZINC000948886949 1333719766 /nfs/dbraw/zinc/71/97/66/1333719766.db2.gz UOAKXEVRCLLCLD-AEFFLSMTSA-N 2 0 340.471 3.026 20 0 EGADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000950363875 1334050421 /nfs/dbraw/zinc/05/04/21/1334050421.db2.gz UYFRXKFSUISIMY-YLJYHZDGSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000950614586 1334097666 /nfs/dbraw/zinc/09/76/66/1334097666.db2.gz GNMWJPGIZSPQAY-QUCCMNQESA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000952406845 1334451322 /nfs/dbraw/zinc/45/13/22/1334451322.db2.gz LNOGYKPIEHFPCX-IBGZPJMESA-N 2 0 337.552 3.218 20 0 EGADRP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968849957 1336067421 /nfs/dbraw/zinc/06/74/21/1336067421.db2.gz KTPWETSCRITJAO-RBUKOAKNSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914533 1336087235 /nfs/dbraw/zinc/08/72/35/1336087235.db2.gz WLNXYGAUVNGIKX-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC000968921705 1336089883 /nfs/dbraw/zinc/08/98/83/1336089883.db2.gz GTSNGLCTHFYAJG-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)NC[C@H]2CCCCC[N@H+]2CC(C)C)ccc2c[nH+]cn21 ZINC000968925986 1336092334 /nfs/dbraw/zinc/09/23/34/1336092334.db2.gz RFVKUNXDHFDQRS-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968928515 1336092848 /nfs/dbraw/zinc/09/28/48/1336092848.db2.gz MWUKCUMPGJFCKK-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@@H]1CCCCC[N@@H+]1CC1CCC1)c1ccc2c[nH+]cn2c1 ZINC000968955397 1336101996 /nfs/dbraw/zinc/10/19/96/1336101996.db2.gz ULUKSYRNFSEGFN-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC=C(C)C ZINC000969156242 1336165413 /nfs/dbraw/zinc/16/54/13/1336165413.db2.gz NYBCLMYLLWAIML-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC000969564015 1336224616 /nfs/dbraw/zinc/22/46/16/1336224616.db2.gz JXGBLIIIUJTCCO-MOPGFXCFSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000969564288 1336224635 /nfs/dbraw/zinc/22/46/35/1336224635.db2.gz OUQQMJPXLORHMP-QZTJIDSGSA-N 2 0 343.515 3.121 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC000969967998 1336267544 /nfs/dbraw/zinc/26/75/44/1336267544.db2.gz LKNJQKICJSSBDR-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005478035 1336358478 /nfs/dbraw/zinc/35/84/78/1336358478.db2.gz UGNDZJBAMIAORY-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006000793 1336436014 /nfs/dbraw/zinc/43/60/14/1336436014.db2.gz JMQYOQCGYWUINH-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006130848 1336456803 /nfs/dbraw/zinc/45/68/03/1336456803.db2.gz GWNANEKBMFTMGF-UHFFFAOYSA-N 2 0 343.515 3.251 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](CC3CC3)CC2)o1 ZINC001006457184 1336509480 /nfs/dbraw/zinc/50/94/80/1336509480.db2.gz DHZBAMMOTTYIAU-UHFFFAOYSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007500341 1336658827 /nfs/dbraw/zinc/65/88/27/1336658827.db2.gz SHMLDWBUYKVZMQ-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007649677 1336683588 /nfs/dbraw/zinc/68/35/88/1336683588.db2.gz WTTHIKHRQRYKJK-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cncn1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001007953474 1336737886 /nfs/dbraw/zinc/73/78/86/1336737886.db2.gz OEJGGRQUBJQPHL-IBGZPJMESA-N 2 0 346.519 3.133 20 0 EGADRP Cc1cncn1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001007953479 1336737979 /nfs/dbraw/zinc/73/79/79/1336737979.db2.gz OEJGGRQUBJQPHL-LJQANCHMSA-N 2 0 346.519 3.133 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001008529277 1336876777 /nfs/dbraw/zinc/87/67/77/1336876777.db2.gz FLVSTPNJFSDBMP-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536968 1336877128 /nfs/dbraw/zinc/87/71/28/1336877128.db2.gz CCQJGDCDCLYMAP-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008750584 1336920407 /nfs/dbraw/zinc/92/04/07/1336920407.db2.gz WTBNHECCIHCVMK-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001008757691 1336921259 /nfs/dbraw/zinc/92/12/59/1336921259.db2.gz YVYFVLZTCLKINO-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773072 1336924877 /nfs/dbraw/zinc/92/48/77/1336924877.db2.gz YGTAGJYBGNLOBU-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204098 1336985900 /nfs/dbraw/zinc/98/59/00/1336985900.db2.gz UFHBKPVAZSPMIW-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1nc[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001009344218 1337009624 /nfs/dbraw/zinc/00/96/24/1337009624.db2.gz BXBSRGAWFQSEPH-GOSISDBHSA-N 2 0 346.519 3.202 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014414538 1337770435 /nfs/dbraw/zinc/77/04/35/1337770435.db2.gz OXCSUVOYBKBBIS-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001014426342 1337775351 /nfs/dbraw/zinc/77/53/51/1337775351.db2.gz QYBWIVDCYOPUDT-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CCC2CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015388334 1338120864 /nfs/dbraw/zinc/12/08/64/1338120864.db2.gz PNVPWWHWJLDMSW-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795757 1338315228 /nfs/dbraw/zinc/31/52/28/1338315228.db2.gz RVSJHCIOHVHRRZ-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015974765 1338387634 /nfs/dbraw/zinc/38/76/34/1338387634.db2.gz HVTBZXQNSTVGHX-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251395 1338525019 /nfs/dbraw/zinc/52/50/19/1338525019.db2.gz LJUULKVKBFFTQB-ZWKOTPCHSA-N 2 0 349.906 3.077 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001016333759 1338553604 /nfs/dbraw/zinc/55/36/04/1338553604.db2.gz MKGBBCSINKSLQD-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623311 1338668015 /nfs/dbraw/zinc/66/80/15/1338668015.db2.gz CWHKWGJJKFZWNQ-MJGOQNOKSA-N 2 0 347.547 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016688165 1338690969 /nfs/dbraw/zinc/69/09/69/1338690969.db2.gz OSXIGPJPZMFXDM-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862344 1338751389 /nfs/dbraw/zinc/75/13/89/1338751389.db2.gz WMTGRLGOLZVCGQ-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016862218 1338751606 /nfs/dbraw/zinc/75/16/06/1338751606.db2.gz TXSYZKGPHTXWQI-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016892586 1338761158 /nfs/dbraw/zinc/76/11/58/1338761158.db2.gz OBIGZAIWOQTNJG-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001017142270 1338894307 /nfs/dbraw/zinc/89/43/07/1338894307.db2.gz MFUDPFRPYGHPJE-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017142644 1338894884 /nfs/dbraw/zinc/89/48/84/1338894884.db2.gz QDVFWEORRJRUGH-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CC2)C1 ZINC001017246065 1338976663 /nfs/dbraw/zinc/97/66/63/1338976663.db2.gz LWDDCQMFGQLKSJ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001017249280 1338979982 /nfs/dbraw/zinc/97/99/82/1338979982.db2.gz AJWYEDSMWIIIHL-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)CC1CCCCCC1 ZINC001017262362 1338988658 /nfs/dbraw/zinc/98/86/58/1338988658.db2.gz ZLFLZPQDIAIQRR-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001017266701 1338993266 /nfs/dbraw/zinc/99/32/66/1338993266.db2.gz MYZGVJULVBVNEK-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001028088790 1340417564 /nfs/dbraw/zinc/41/75/64/1340417564.db2.gz PSLMCCTXQJFKPP-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001028252567 1340512873 /nfs/dbraw/zinc/51/28/73/1340512873.db2.gz YCIBSCZNNRPOSA-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028573861 1340710744 /nfs/dbraw/zinc/71/07/44/1340710744.db2.gz XLVAONJUTPJHTC-INIZCTEOSA-N 2 0 349.544 3.052 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595439 1340719989 /nfs/dbraw/zinc/71/99/89/1340719989.db2.gz YUOWIJHUMWGRTM-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001029144513 1340942387 /nfs/dbraw/zinc/94/23/87/1340942387.db2.gz WEBXKOZYYRAEGL-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001029147093 1340943045 /nfs/dbraw/zinc/94/30/45/1340943045.db2.gz NHHNLGZKRLWBJI-IRXDYDNUSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029172217 1340948403 /nfs/dbraw/zinc/94/84/03/1340948403.db2.gz AAVBKCRKVWLMMT-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1)[NH+](C)C ZINC001029346909 1340974789 /nfs/dbraw/zinc/97/47/89/1340974789.db2.gz HGJCHPYLSZRQQJ-LMCOJAPRSA-N 2 0 343.515 3.009 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001029371956 1340979773 /nfs/dbraw/zinc/97/97/73/1340979773.db2.gz WHYFDUHJLHXVNM-KDURUIRLSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001029550780 1341010794 /nfs/dbraw/zinc/01/07/94/1341010794.db2.gz YRCBODPDABARDQ-ZCNNSNEGSA-N 2 0 347.547 3.282 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001029755452 1341064260 /nfs/dbraw/zinc/06/42/60/1341064260.db2.gz NETZQYIHWOPEIQ-ZWKOTPCHSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001029910448 1341113576 /nfs/dbraw/zinc/11/35/76/1341113576.db2.gz LUFABTAKDVXSSD-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001029944664 1341130543 /nfs/dbraw/zinc/13/05/43/1341130543.db2.gz PAGJJXKDXSTIOJ-YLJYHZDGSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001029972253 1341139373 /nfs/dbraw/zinc/13/93/73/1341139373.db2.gz FICXMWZMMKVPEF-HXUWFJFHSA-N 2 0 345.531 3.006 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1)[NH+](C)C ZINC001029996761 1341151425 /nfs/dbraw/zinc/15/14/25/1341151425.db2.gz KZBHBHAXVWAVIF-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001030014620 1341158472 /nfs/dbraw/zinc/15/84/72/1341158472.db2.gz DVJGDLXTLRVZFO-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1)[NH+]1CCCCC1 ZINC001030014963 1341158752 /nfs/dbraw/zinc/15/87/52/1341158752.db2.gz XFVXQHDVFPTGIK-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001030019527 1341159717 /nfs/dbraw/zinc/15/97/17/1341159717.db2.gz NOSWXCMPJSMNQT-IPMKNSEASA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031584896 1341371775 /nfs/dbraw/zinc/37/17/75/1341371775.db2.gz LLEWSETVKNXBLX-UZLBHIALSA-N 2 0 343.515 3.013 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031766345 1341398767 /nfs/dbraw/zinc/39/87/67/1341398767.db2.gz GHWGIOXXFTXDPQ-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031849339 1341411137 /nfs/dbraw/zinc/41/11/37/1341411137.db2.gz HZMLKDRPCAJYFY-FQEVSTJZSA-N 2 0 348.450 3.147 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CCCC3CCCC3)C2)CC1 ZINC001032094983 1341454320 /nfs/dbraw/zinc/45/43/20/1341454320.db2.gz QQSOKAAYMMTFHM-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001032205634 1341472818 /nfs/dbraw/zinc/47/28/18/1341472818.db2.gz DGMUHHOYAFGULJ-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032445721 1341512005 /nfs/dbraw/zinc/51/20/05/1341512005.db2.gz OKZXMPODPSMIBA-AABGKKOBSA-N 2 0 347.547 3.115 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033074524 1341716506 /nfs/dbraw/zinc/71/65/06/1341716506.db2.gz ARIAZWGZEPGVHT-QGZVFWFLSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033077924 1341717617 /nfs/dbraw/zinc/71/76/17/1341717617.db2.gz UFWIUJGWVNSLND-IBGZPJMESA-N 2 0 347.547 3.284 20 0 EGADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001033466633 1341837086 /nfs/dbraw/zinc/83/70/86/1341837086.db2.gz HATJBHZZXMAUEB-FUHWJXTLSA-N 2 0 349.544 3.045 20 0 EGADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033581709 1341882439 /nfs/dbraw/zinc/88/24/39/1341882439.db2.gz LSGXWEGUQVQKAU-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656564 1341931568 /nfs/dbraw/zinc/93/15/68/1341931568.db2.gz CDFYRGSJQKCEES-YJBOKZPZSA-N 2 0 349.906 3.030 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033686490 1341950782 /nfs/dbraw/zinc/95/07/82/1341950782.db2.gz PMVGWXMXTRDQOE-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033826388 1342027342 /nfs/dbraw/zinc/02/73/42/1342027342.db2.gz PJVFWYZLTLHPAJ-MOPGFXCFSA-N 2 0 349.563 3.218 20 0 EGADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033935763 1342098537 /nfs/dbraw/zinc/09/85/37/1342098537.db2.gz ICIFYNJLUMRFSY-OKZBNKHCSA-N 2 0 337.552 3.076 20 0 EGADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033941818 1342103476 /nfs/dbraw/zinc/10/34/76/1342103476.db2.gz SGLUJYNJEKJYJZ-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001034007509 1342145000 /nfs/dbraw/zinc/14/50/00/1342145000.db2.gz MBXYNJMVKKVQGS-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034205816 1342315789 /nfs/dbraw/zinc/31/57/89/1342315789.db2.gz YYTBLBVBOSQCPF-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034205438 1342315890 /nfs/dbraw/zinc/31/58/90/1342315890.db2.gz WPRKDACWOWGAGC-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211459 1342321402 /nfs/dbraw/zinc/32/14/02/1342321402.db2.gz MXCOPDNBINHNQL-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217734 1342323809 /nfs/dbraw/zinc/32/38/09/1342323809.db2.gz UQQWEMHNMRWYPO-GBESFXJTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034239219 1342340770 /nfs/dbraw/zinc/34/07/70/1342340770.db2.gz JFFURCRCTPIRJE-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285185 1342373442 /nfs/dbraw/zinc/37/34/42/1342373442.db2.gz QXKJPNQOLQDXQD-RDJZCZTQSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289024 1342374707 /nfs/dbraw/zinc/37/47/07/1342374707.db2.gz RPJFYSQCYMKKHA-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001034329975 1342403970 /nfs/dbraw/zinc/40/39/70/1342403970.db2.gz KFTSZSUVMHFMMW-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001034339389 1342413740 /nfs/dbraw/zinc/41/37/40/1342413740.db2.gz DVGYORWJWJUBKR-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](F)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444963 1342505199 /nfs/dbraw/zinc/50/51/99/1342505199.db2.gz OCCWIFVAKUCQGJ-OALUTQOASA-N 2 0 349.494 3.081 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001034464691 1342519408 /nfs/dbraw/zinc/51/94/08/1342519408.db2.gz ZWTBTNFIUVWUKB-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034485015 1342542770 /nfs/dbraw/zinc/54/27/70/1342542770.db2.gz ACKHVTZBIQKJEJ-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536433 1342592676 /nfs/dbraw/zinc/59/26/76/1342592676.db2.gz FZVLIGAINBIYSS-PXNSSMCTSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034537872 1342594528 /nfs/dbraw/zinc/59/45/28/1342594528.db2.gz GGDUBQGZAXDZMO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1c(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)ccc2c[nH+]cn21 ZINC001034680070 1342689187 /nfs/dbraw/zinc/68/91/87/1342689187.db2.gz MXXLACZQNGPTCL-QAQDUYKDSA-N 2 0 340.471 3.073 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034735405 1342729290 /nfs/dbraw/zinc/72/92/90/1342729290.db2.gz GRNSNJVIMWKCIP-IHPCNDPISA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC001034747746 1342736181 /nfs/dbraw/zinc/73/61/81/1342736181.db2.gz KPGCJBJNJGPLIG-WGSAOQKQSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034776416 1342754231 /nfs/dbraw/zinc/75/42/31/1342754231.db2.gz SGXWLEHPVMKTCX-WTGUMLROSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001034792005 1342760864 /nfs/dbraw/zinc/76/08/64/1342760864.db2.gz BPUUEIRFKDRQKX-LWYYNNOASA-N 2 0 343.515 3.106 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034795671 1342762667 /nfs/dbraw/zinc/76/26/67/1342762667.db2.gz PJZRVSPLUANNRQ-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)c1 ZINC001034798621 1342764121 /nfs/dbraw/zinc/76/41/21/1342764121.db2.gz JBNBFEYVEYPBKU-MXVIHJGJSA-N 2 0 343.515 3.179 20 0 EGADRP CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001034801318 1342766778 /nfs/dbraw/zinc/76/67/78/1342766778.db2.gz OSIRJBVPLCBACQ-WKILWMFISA-N 2 0 335.492 3.162 20 0 EGADRP O=C(NCc1ccc(C[NH2+]CC2CCC2)cc1)c1ccc2c[nH+]cn2c1 ZINC001034820490 1342782984 /nfs/dbraw/zinc/78/29/84/1342782984.db2.gz RDLDFCMXUFAUDR-UHFFFAOYSA-N 2 0 348.450 3.154 20 0 EGADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034938226 1342844415 /nfs/dbraw/zinc/84/44/15/1342844415.db2.gz JWUXWGLTWBPRHX-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1)c1ccccc1 ZINC001034995270 1342869123 /nfs/dbraw/zinc/86/91/23/1342869123.db2.gz QQMFBVMTVXARJH-OXJNMPFZSA-N 2 0 348.450 3.290 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC001035013049 1342874878 /nfs/dbraw/zinc/87/48/78/1342874878.db2.gz AMZOMVSDMCFNBG-BMGDILEWSA-N 2 0 349.906 3.076 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001035039501 1342892902 /nfs/dbraw/zinc/89/29/02/1342892902.db2.gz DTKXFCLPOUATHQ-MISYRCLQSA-N 2 0 345.531 3.223 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001035071523 1342912044 /nfs/dbraw/zinc/91/20/44/1342912044.db2.gz VYISFKGVTOSPAL-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)[NH+]1CCCCCC1 ZINC001035071239 1342912111 /nfs/dbraw/zinc/91/21/11/1342912111.db2.gz REKUIUGWWXIUSZ-SJLPKXTDSA-N 2 0 349.544 3.093 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001035085873 1342919229 /nfs/dbraw/zinc/91/92/29/1342919229.db2.gz MEDNOJBBWILVPQ-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078820485 1357100602 /nfs/dbraw/zinc/10/06/02/1357100602.db2.gz XFLRCKTVDPMUPP-RBUKOAKNSA-N 2 0 343.515 3.035 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186442 1343001176 /nfs/dbraw/zinc/00/11/76/1343001176.db2.gz CQDZQKKIIOWSDD-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035192316 1343006666 /nfs/dbraw/zinc/00/66/66/1343006666.db2.gz XUOHREDTDFJCEQ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001035196878 1343009460 /nfs/dbraw/zinc/00/94/60/1343009460.db2.gz PVTUDAQRCTZEIL-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1)[NH+](C)C ZINC001035727383 1343154629 /nfs/dbraw/zinc/15/46/29/1343154629.db2.gz UGBWZRTVVYXURQ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036180447 1343350013 /nfs/dbraw/zinc/35/00/13/1343350013.db2.gz AYQNURGTIOTDCK-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC(C)C)[C@H](C)C2)o1 ZINC001036314033 1343414696 /nfs/dbraw/zinc/41/46/96/1343414696.db2.gz VSSIWXIJQUIPGA-AEFFLSMTSA-N 2 0 349.519 3.218 20 0 EGADRP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036556387 1343552192 /nfs/dbraw/zinc/55/21/92/1343552192.db2.gz JYIKYDALMJATIX-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833107 1343772607 /nfs/dbraw/zinc/77/26/07/1343772607.db2.gz OJIPRGONSFFMHB-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@@H]21 ZINC001036905839 1343853391 /nfs/dbraw/zinc/85/33/91/1343853391.db2.gz PZXVHRIZOYYLJW-AEFFLSMTSA-N 2 0 347.503 3.068 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001037088544 1343972593 /nfs/dbraw/zinc/97/25/93/1343972593.db2.gz LLKMHXZDFZFVSU-UXHICEINSA-N 2 0 349.563 3.173 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037240241 1344062307 /nfs/dbraw/zinc/06/23/07/1344062307.db2.gz WGJCZKKEOAPENL-PMACEKPBSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CC2)c1 ZINC001037279770 1344071574 /nfs/dbraw/zinc/07/15/74/1344071574.db2.gz SVJMVEXTEGPJPG-WOJBJXKFSA-N 2 0 343.515 3.036 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]C(C)C)o1 ZINC001037280967 1344071985 /nfs/dbraw/zinc/07/19/85/1344071985.db2.gz YXYGKSBEAUMLIN-SJLPKXTDSA-N 2 0 349.519 3.408 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1[NH2+]C(C)C ZINC001037924533 1344184543 /nfs/dbraw/zinc/18/45/43/1344184543.db2.gz IMRMYVJFJPKQBY-AZUAARDMSA-N 2 0 345.531 3.029 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038238216 1344337779 /nfs/dbraw/zinc/33/77/79/1344337779.db2.gz GJOOFHASDCWRFE-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248090 1344342907 /nfs/dbraw/zinc/34/29/07/1344342907.db2.gz LUXMXLXVAWKLBB-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCCC1CCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353691 1344393789 /nfs/dbraw/zinc/39/37/89/1344393789.db2.gz OMKCMIJOOXEALS-UXHICEINSA-N 2 0 347.547 3.164 20 0 EGADRP O=C(NC[C@H]1CC[N@@H+]1CCC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001038456087 1344432718 /nfs/dbraw/zinc/43/27/18/1344432718.db2.gz VFWWAKMMNVQIBO-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038909164 1344647914 /nfs/dbraw/zinc/64/79/14/1344647914.db2.gz OHJKWXSFSOEMTL-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001039047287 1344732895 /nfs/dbraw/zinc/73/28/95/1344732895.db2.gz CTOYXZUKUNXTPY-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133974 1344812797 /nfs/dbraw/zinc/81/27/97/1344812797.db2.gz NEUPVMGUGHODMU-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039141137 1344821674 /nfs/dbraw/zinc/82/16/74/1344821674.db2.gz QWUDRSYHRZQMQF-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167055 1344853216 /nfs/dbraw/zinc/85/32/16/1344853216.db2.gz KXEFQRPPAJDTPM-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173110 1344862971 /nfs/dbraw/zinc/86/29/71/1344862971.db2.gz NUFRBWNREWTRRE-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205094 1344916721 /nfs/dbraw/zinc/91/67/21/1344916721.db2.gz KHMBJYTYVOJOHA-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234369 1344954762 /nfs/dbraw/zinc/95/47/62/1344954762.db2.gz IZXSWCLUVOGIRJ-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234371 1344955092 /nfs/dbraw/zinc/95/50/92/1344955092.db2.gz IZXSWCLUVOGIRJ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235320 1344956043 /nfs/dbraw/zinc/95/60/43/1344956043.db2.gz WFTKGWOFKKDLSU-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237248 1344959673 /nfs/dbraw/zinc/95/96/73/1344959673.db2.gz GATXCWMGXDNUMT-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039258571 1344986867 /nfs/dbraw/zinc/98/68/67/1344986867.db2.gz XZVCSEVASYXIBT-PMACEKPBSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039448016 1345072576 /nfs/dbraw/zinc/07/25/76/1345072576.db2.gz RCCLUUIXWNQULP-AQNXPRMDSA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001039528569 1345131052 /nfs/dbraw/zinc/13/10/52/1345131052.db2.gz PIUBDSYTOPLPLL-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001039685888 1345158871 /nfs/dbraw/zinc/15/88/71/1345158871.db2.gz RSEALRLISKZGLA-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001039920269 1345245815 /nfs/dbraw/zinc/24/58/15/1345245815.db2.gz UUTCSSNUQJANJG-ZCNNSNEGSA-N 2 0 347.547 3.282 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001039969665 1345272058 /nfs/dbraw/zinc/27/20/58/1345272058.db2.gz QZNWHZXFWIFBHW-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040242219 1345392411 /nfs/dbraw/zinc/39/24/11/1345392411.db2.gz XGZGWJBKNDETOL-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275155 1345407207 /nfs/dbraw/zinc/40/72/07/1345407207.db2.gz JADCASWQXQFYJC-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545932 1345540282 /nfs/dbraw/zinc/54/02/82/1345540282.db2.gz YUEJOUSYJPQQIA-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC001040720873 1345570705 /nfs/dbraw/zinc/57/07/05/1345570705.db2.gz LGWYXTSUAIUVBM-UHFFFAOYSA-N 2 0 349.544 3.148 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040722943 1345570942 /nfs/dbraw/zinc/57/09/42/1345570942.db2.gz GPTDCRYEYWEFJA-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733236 1345572370 /nfs/dbraw/zinc/57/23/70/1345572370.db2.gz QQRFJRAMUONNLH-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769411 1345843583 /nfs/dbraw/zinc/84/35/83/1345843583.db2.gz OMCOTIXGZWRAJZ-WIYYLYMNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041845234 1345871711 /nfs/dbraw/zinc/87/17/11/1345871711.db2.gz VVJKSWBEENUGFR-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001044006081 1346232527 /nfs/dbraw/zinc/23/25/27/1346232527.db2.gz MCZXGALNARGZLW-QLOJAFMTSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044330368 1346300958 /nfs/dbraw/zinc/30/09/58/1346300958.db2.gz ZZLFQYFEBVEVFT-IRXDYDNUSA-N 2 0 349.563 3.218 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044335219 1346301349 /nfs/dbraw/zinc/30/13/49/1346301349.db2.gz DKQVADYIIKEKEB-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044629699 1346387426 /nfs/dbraw/zinc/38/74/26/1346387426.db2.gz OSOMAEOJEGTBLN-WMZOPIPTSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044878912 1346453000 /nfs/dbraw/zinc/45/30/00/1346453000.db2.gz OALFDOAGOAIKMI-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044882092 1346453822 /nfs/dbraw/zinc/45/38/22/1346453822.db2.gz XTCOLPBXNFFMRW-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001045089100 1346493153 /nfs/dbraw/zinc/49/31/53/1346493153.db2.gz AILBFSVTTASBGQ-VQTJNVASSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC001045229060 1346536220 /nfs/dbraw/zinc/53/62/20/1346536220.db2.gz HLGYGCHIBHNULM-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438396 1346594109 /nfs/dbraw/zinc/59/41/09/1346594109.db2.gz SCOKCEWYEYHQCZ-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045475521 1346603217 /nfs/dbraw/zinc/60/32/17/1346603217.db2.gz JZSFZCIPCRVEQW-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001045535046 1346620393 /nfs/dbraw/zinc/62/03/93/1346620393.db2.gz SVNHLFLUDWNBKT-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001045615475 1346648284 /nfs/dbraw/zinc/64/82/84/1346648284.db2.gz JILLKDIGMUONQX-UHFFFAOYSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045620508 1346650174 /nfs/dbraw/zinc/65/01/74/1346650174.db2.gz SOBUQOHZHXZRGS-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1c(C(=O)N[C@]2(C)CC[N@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001046435681 1346975037 /nfs/dbraw/zinc/97/50/37/1346975037.db2.gz IHCYAGPNSSNPKB-HXUWFJFHSA-N 2 0 342.487 3.273 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587746 1347027790 /nfs/dbraw/zinc/02/77/90/1347027790.db2.gz HALQVXFFHHDQAV-TZIWHRDSSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001046595751 1347031939 /nfs/dbraw/zinc/03/19/39/1347031939.db2.gz NOJVKKYLNNPTGM-OAQYLSRUSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2)[NH+]1CCCCC1 ZINC001047072981 1347201463 /nfs/dbraw/zinc/20/14/63/1347201463.db2.gz FMNBHSQUVOCVCR-OTWHNJEPSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(C)(C)C)C3)CC1 ZINC001047159866 1347225141 /nfs/dbraw/zinc/22/51/41/1347225141.db2.gz RQTPJHLMHNZDMN-FHWLQOOXSA-N 2 0 349.563 3.124 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CCCC1)C2 ZINC001047201846 1347241555 /nfs/dbraw/zinc/24/15/55/1347241555.db2.gz VAQVNNDXJPULKX-ZCNNSNEGSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257778 1347280845 /nfs/dbraw/zinc/28/08/45/1347280845.db2.gz UDJXLDQZFIFCGY-AZUAARDMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001047266032 1347286988 /nfs/dbraw/zinc/28/69/88/1347286988.db2.gz OHUJJDRRUQTFBX-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047923918 1347411345 /nfs/dbraw/zinc/41/13/45/1347411345.db2.gz JQWXRBHPSUYFPF-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048069338 1347458669 /nfs/dbraw/zinc/45/86/69/1347458669.db2.gz PLWXVIPUFVVHON-AZUAARDMSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048530259 1347579615 /nfs/dbraw/zinc/57/96/15/1347579615.db2.gz MIEJPZUNRHNBHK-IYWMVGAKSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538215 1347583224 /nfs/dbraw/zinc/58/32/24/1347583224.db2.gz MONXXPZNJKYQNS-OUUBHVDSSA-N 2 0 347.547 3.019 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556857 1347591673 /nfs/dbraw/zinc/59/16/73/1347591673.db2.gz WNQJHXIFZCIJPA-VBUUOAMHSA-N 2 0 347.503 3.114 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001048624227 1347623120 /nfs/dbraw/zinc/62/31/20/1347623120.db2.gz KZZSKRZDVMQDCO-VAMGGRTRSA-N 2 0 349.563 3.031 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC001049370613 1347808583 /nfs/dbraw/zinc/80/85/83/1347808583.db2.gz XFLJJWIJJCZMLP-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001049478508 1347868918 /nfs/dbraw/zinc/86/89/18/1347868918.db2.gz PCMANKWLSMGROU-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001049533126 1347894993 /nfs/dbraw/zinc/89/49/93/1347894993.db2.gz MOONIKFQWRGSOL-UFYCRDLUSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC=C(C)C)C1 ZINC001049664482 1347963297 /nfs/dbraw/zinc/96/32/97/1347963297.db2.gz QLMZQQJPKNICFG-UFYCRDLUSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001049709782 1347985501 /nfs/dbraw/zinc/98/55/01/1347985501.db2.gz JNMVWVYNHIRHDV-HSALFYBXSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001049764531 1348009545 /nfs/dbraw/zinc/00/95/45/1348009545.db2.gz DFUVHMFUJVNMDX-RLLQIKCJSA-N 2 0 347.547 3.116 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1=CCCCC1 ZINC001049897880 1348098695 /nfs/dbraw/zinc/09/86/95/1348098695.db2.gz VFPVCBRWFJBCGR-WOJBJXKFSA-N 2 0 345.531 3.038 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050065658 1348171051 /nfs/dbraw/zinc/17/10/51/1348171051.db2.gz FIGAUGHZWJEQSS-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001050385445 1348246217 /nfs/dbraw/zinc/24/62/17/1348246217.db2.gz FWKHSHHOFHQJGZ-LNLFQRSKSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001050519553 1348283003 /nfs/dbraw/zinc/28/30/03/1348283003.db2.gz SHQFHQSYVJBQHJ-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050687076 1348327432 /nfs/dbraw/zinc/32/74/32/1348327432.db2.gz GAFDIGMHGFQDEG-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC3(C2)CC[NH+](C(C)C)CC3)o1 ZINC001050770633 1348354480 /nfs/dbraw/zinc/35/44/80/1348354480.db2.gz HOJDHJVHXJRWLZ-UHFFFAOYSA-N 2 0 347.503 3.068 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380691 1348536670 /nfs/dbraw/zinc/53/66/70/1348536670.db2.gz DNVFFVROJXILFR-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380694 1348536948 /nfs/dbraw/zinc/53/69/48/1348536948.db2.gz DNVFFVROJXILFR-OALUTQOASA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515201 1348563863 /nfs/dbraw/zinc/56/38/63/1348563863.db2.gz BHGYRHRQPQIQKL-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658474 1348616716 /nfs/dbraw/zinc/61/67/16/1348616716.db2.gz OOPDZAKKQLHZPU-YTQUADARSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052663015 1348618735 /nfs/dbraw/zinc/61/87/35/1348618735.db2.gz MKEDWTZHDSZATJ-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001052765423 1348669935 /nfs/dbraw/zinc/66/99/35/1348669935.db2.gz ZEIPCTFFJGIFOW-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC001052767857 1348671433 /nfs/dbraw/zinc/67/14/33/1348671433.db2.gz YRBJXPHLGJPVHK-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786973 1348679460 /nfs/dbraw/zinc/67/94/60/1348679460.db2.gz FSAMMVCIQKEEGU-APWZRJJASA-N 2 0 349.494 3.081 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)CC2)cc1 ZINC001052787039 1348679693 /nfs/dbraw/zinc/67/96/93/1348679693.db2.gz HEOUTIGROVARQS-PPCLGBEZSA-N 2 0 349.906 3.085 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937575 1348756688 /nfs/dbraw/zinc/75/66/88/1348756688.db2.gz MAXPFYVRBYCUHV-ICSRJNTNSA-N 2 0 343.515 3.123 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028465 1348827137 /nfs/dbraw/zinc/82/71/37/1348827137.db2.gz MEABUGWMKNKLLF-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038976 1348840270 /nfs/dbraw/zinc/84/02/70/1348840270.db2.gz BLKHCBZJCWJDAR-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050624 1348853562 /nfs/dbraw/zinc/85/35/62/1348853562.db2.gz GSRIJBNYYZPBLF-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105595 1348943466 /nfs/dbraw/zinc/94/34/66/1348943466.db2.gz PYDMZEMHILSREH-WOJBJXKFSA-N 2 0 349.563 3.366 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC)C2 ZINC001054289999 1349294580 /nfs/dbraw/zinc/29/45/80/1349294580.db2.gz YFSQDHGQTZTPQW-HXUWFJFHSA-N 2 0 343.515 3.293 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001054296784 1349301703 /nfs/dbraw/zinc/30/17/03/1349301703.db2.gz LHZIEOIPYZVZFD-BMGDILEWSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001054297845 1349302405 /nfs/dbraw/zinc/30/24/05/1349302405.db2.gz HBMHUDYZLMTMQE-KFKAGJAMSA-N 2 0 349.494 3.054 20 0 EGADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054728156 1349448203 /nfs/dbraw/zinc/44/82/03/1349448203.db2.gz YUCUPTIUKGRBSH-PBHICJAKSA-N 2 0 349.544 3.050 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@H]2C)C1 ZINC001080310949 1357568983 /nfs/dbraw/zinc/56/89/83/1357568983.db2.gz KTOIJYFASQCBMZ-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001080557166 1357677859 /nfs/dbraw/zinc/67/78/59/1357677859.db2.gz IRIJYKKKPUMPQZ-MISYRCLQSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001080557369 1357678300 /nfs/dbraw/zinc/67/83/00/1357678300.db2.gz RBKAHBWLFPHBBD-RLLQIKCJSA-N 2 0 347.547 3.186 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1)c1ccccc1 ZINC001183138506 1387268684 /nfs/dbraw/zinc/26/86/84/1387268684.db2.gz XDPFFSCHJNXITF-YFVAEKQCSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CCC(C)(C)C ZINC001071653007 1354828094 /nfs/dbraw/zinc/82/80/94/1354828094.db2.gz RBTNADLZCXTKBZ-NVXWUHKLSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC001071685534 1354851497 /nfs/dbraw/zinc/85/14/97/1354851497.db2.gz DAQNQVFESMJXLL-VQIMIIECSA-N 2 0 348.450 3.117 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1CCC1CC1 ZINC001072099493 1355129299 /nfs/dbraw/zinc/12/92/99/1355129299.db2.gz RMYQYLDCHORYHY-QFBILLFUSA-N 2 0 343.515 3.131 20 0 EGADRP CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109356 1355135855 /nfs/dbraw/zinc/13/58/55/1355135855.db2.gz FSVXPWDFDQODSS-HOTGVXAUSA-N 2 0 335.492 3.114 20 0 EGADRP CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035360 1355563502 /nfs/dbraw/zinc/56/35/02/1355563502.db2.gz FEQYLIGVQKXMDD-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@]1(C)C[NH2+]CCC(C)(C)C ZINC001183199771 1387277500 /nfs/dbraw/zinc/27/75/00/1387277500.db2.gz JTQQZQOLVCYSQV-YLJYHZDGSA-N 2 0 339.568 3.229 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001074025988 1356040227 /nfs/dbraw/zinc/04/02/27/1356040227.db2.gz BGXGGSBGRBTTCF-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001074063204 1356061213 /nfs/dbraw/zinc/06/12/13/1356061213.db2.gz IRAPKMSDFGYJRR-CTWPCTMYSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001074092103 1356078140 /nfs/dbraw/zinc/07/81/40/1356078140.db2.gz VBLUPJYWVBJTKP-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001074653015 1356220900 /nfs/dbraw/zinc/22/09/00/1356220900.db2.gz SHYMVLLFXCNJOT-HQRMLTQVSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001074649272 1356221357 /nfs/dbraw/zinc/22/13/57/1356221357.db2.gz UJUXVWLGJMPTGL-IHPCNDPISA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457540 1356389411 /nfs/dbraw/zinc/38/94/11/1356389411.db2.gz VLKMRXXSBXXJTF-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461540 1356395305 /nfs/dbraw/zinc/39/53/05/1356395305.db2.gz KQCANQJXTVCDGQ-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)CC1 ZINC001097774660 1363117945 /nfs/dbraw/zinc/11/79/45/1363117945.db2.gz BPQDDOPSILDKLV-AQNXPRMDSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001075881161 1356437944 /nfs/dbraw/zinc/43/79/44/1356437944.db2.gz GHVJHGHBAOETSN-GBESFXJTSA-N 2 0 349.563 3.218 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183254373 1387285812 /nfs/dbraw/zinc/28/58/12/1387285812.db2.gz DSLUVULHZDYGLX-KAGICYHLSA-N 2 0 335.536 3.186 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076627117 1356638000 /nfs/dbraw/zinc/63/80/00/1356638000.db2.gz RBYRSJWZHTUOMI-FUHWJXTLSA-N 2 0 347.503 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183255146 1387286290 /nfs/dbraw/zinc/28/62/90/1387286290.db2.gz KGZFXVVEQFVZOJ-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345097 1358197250 /nfs/dbraw/zinc/19/72/50/1358197250.db2.gz ULQWOTDGXRLCSV-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853164 1358328711 /nfs/dbraw/zinc/32/87/11/1358328711.db2.gz OTJRECLDJCOFQU-AQNXPRMDSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(CC)CC)[C@H]2C1 ZINC001084952634 1358353504 /nfs/dbraw/zinc/35/35/04/1358353504.db2.gz BCXBIXXUQCKZEE-AQNXPRMDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101352 1358391447 /nfs/dbraw/zinc/39/14/47/1358391447.db2.gz GIOKDLUJOPGCOJ-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001085153005 1358413817 /nfs/dbraw/zinc/41/38/17/1358413817.db2.gz YRALPFFNWIHLBI-GUDVDZBRSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085196879 1358431792 /nfs/dbraw/zinc/43/17/92/1358431792.db2.gz RCXINSVUINSPKL-KZNAEPCWSA-N 2 0 349.544 3.138 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199408 1358432203 /nfs/dbraw/zinc/43/22/03/1358432203.db2.gz KAQZSJYPJPDOTD-MISYRCLQSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001085319546 1358464199 /nfs/dbraw/zinc/46/41/99/1358464199.db2.gz BTSIBORDJLLJAQ-PWIZWCRZSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085332234 1358469894 /nfs/dbraw/zinc/46/98/94/1358469894.db2.gz POYUYLSFJLKFNU-DFQSSKMNSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC001085352595 1358476360 /nfs/dbraw/zinc/47/63/60/1358476360.db2.gz OIRVAWXCTDQCJV-DFQSSKMNSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085593833 1358619926 /nfs/dbraw/zinc/61/99/26/1358619926.db2.gz SGEIXBZAYCSNFN-WOJBJXKFSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085593832 1358620441 /nfs/dbraw/zinc/62/04/41/1358620441.db2.gz SGEIXBZAYCSNFN-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639388 1358652875 /nfs/dbraw/zinc/65/28/75/1358652875.db2.gz NRTBXGZBMAKAHM-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001323354497 1387348772 /nfs/dbraw/zinc/34/87/72/1387348772.db2.gz BBFSMTTYMQUNAV-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2=CCCCC2)C1 ZINC001085778806 1358753966 /nfs/dbraw/zinc/75/39/66/1358753966.db2.gz HYUWYVGOENFONL-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183826035 1387354714 /nfs/dbraw/zinc/35/47/14/1387354714.db2.gz FMFXOOYSLDBRJJ-DKRLNXSXSA-N 2 0 335.536 3.186 20 0 EGADRP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001183865494 1387363154 /nfs/dbraw/zinc/36/31/54/1387363154.db2.gz SLNSXZRPXMRLNW-YHDJDMAPSA-N 2 0 332.463 3.436 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085988125 1358938854 /nfs/dbraw/zinc/93/88/54/1358938854.db2.gz WGHLNMOPZJLAMA-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCC2)o1 ZINC001085994464 1358949439 /nfs/dbraw/zinc/94/94/39/1358949439.db2.gz LXWRYUFLUUDSQB-KRWDZBQOSA-N 2 0 347.503 3.068 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086253894 1359042909 /nfs/dbraw/zinc/04/29/09/1359042909.db2.gz ZTEZMZGAKDMCFO-OQIJWPOYSA-N 2 0 349.563 3.027 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001086399394 1359087396 /nfs/dbraw/zinc/08/73/96/1359087396.db2.gz AGLVOUGKYLIKEH-WTGUMLROSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001086403189 1359088555 /nfs/dbraw/zinc/08/85/55/1359088555.db2.gz ZECLESJSAFSQRG-VBSBHUPXSA-N 2 0 343.515 3.106 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)cc1 ZINC001086505349 1359122524 /nfs/dbraw/zinc/12/25/24/1359122524.db2.gz TZORIZKXRVIQQP-KESTWPANSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001086523063 1359131381 /nfs/dbraw/zinc/13/13/81/1359131381.db2.gz XSUKEMKRXXMHJZ-KESTWPANSA-N 2 0 347.547 3.092 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001086717428 1359190684 /nfs/dbraw/zinc/19/06/84/1359190684.db2.gz XHQBLMNPYYPFDB-NSHGMRRFSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001086717047 1359190860 /nfs/dbraw/zinc/19/08/60/1359190860.db2.gz DAPWYMUOHGYCHR-NSHGMRRFSA-N 2 0 347.547 3.068 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086882480 1359220215 /nfs/dbraw/zinc/22/02/15/1359220215.db2.gz SIGLJKKWFWEDIL-PKOBYXMFSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@@H]1CC2(CN1C(=O)[C@@H]1CCC[N@@H+]1C)CC[NH+](CCC(C)(C)C)CC2 ZINC001086910439 1359238243 /nfs/dbraw/zinc/23/82/43/1359238243.db2.gz TWPKTTFJQOVABP-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921156 1359248335 /nfs/dbraw/zinc/24/83/35/1359248335.db2.gz IYQBXNIVULZDJJ-RBUKOAKNSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087175408 1359313344 /nfs/dbraw/zinc/31/33/44/1359313344.db2.gz MHPNGWIVCYFIFF-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318428 1359409611 /nfs/dbraw/zinc/40/96/11/1359409611.db2.gz XRXFVEPWLSUNMA-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCC(C)(C)C ZINC001087569935 1359535451 /nfs/dbraw/zinc/53/54/51/1359535451.db2.gz TUHZMNTUBJWQCA-RCCFBDPRSA-N 2 0 337.552 3.265 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087660186 1359576502 /nfs/dbraw/zinc/57/65/02/1359576502.db2.gz XNTBYMDEMXHKIJ-RBUKOAKNSA-N 2 0 342.487 3.353 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCCC1CCC1 ZINC001087728292 1359614205 /nfs/dbraw/zinc/61/42/05/1359614205.db2.gz OYJUOUHMSXSLHZ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1CC=C(C)C ZINC001087781229 1359641474 /nfs/dbraw/zinc/64/14/74/1359641474.db2.gz YCXHEIDTOIODKT-RBUKOAKNSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064718 1359740503 /nfs/dbraw/zinc/74/05/03/1359740503.db2.gz RQGHUENLZKILLI-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCCC1CCCCC1 ZINC001184223342 1387416634 /nfs/dbraw/zinc/41/66/34/1387416634.db2.gz BBALAQCAGMAPNV-UHFFFAOYSA-N 2 0 339.568 3.469 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212725 1359797547 /nfs/dbraw/zinc/79/75/47/1359797547.db2.gz LCLLTCQWMCFCNZ-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088323518 1359830662 /nfs/dbraw/zinc/83/06/62/1359830662.db2.gz QXHRSOFJSKGVCX-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001088327729 1359831399 /nfs/dbraw/zinc/83/13/99/1359831399.db2.gz VLTHJGBTVBZGAR-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088381632 1359865265 /nfs/dbraw/zinc/86/52/65/1359865265.db2.gz JEODMZPGRCCHDO-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)[NH+]1CCCCCC1 ZINC001088394124 1359870503 /nfs/dbraw/zinc/87/05/03/1359870503.db2.gz XDSQEPCNCUORHG-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCCCC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC001088399881 1359874300 /nfs/dbraw/zinc/87/43/00/1359874300.db2.gz WUVUKQOIKPXRSC-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001088413202 1359884128 /nfs/dbraw/zinc/88/41/28/1359884128.db2.gz ADLLUGQXDPPBRH-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001323693318 1387423071 /nfs/dbraw/zinc/42/30/71/1387423071.db2.gz MECYXPFOAUCTOZ-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001088426287 1359894339 /nfs/dbraw/zinc/89/43/39/1359894339.db2.gz QFRQYROKWFRIJE-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCCCCN(C(=O)C[NH+]3CCCC3)C2)cs1 ZINC001088426367 1359894565 /nfs/dbraw/zinc/89/45/65/1359894565.db2.gz SRGCNPORVCAGQB-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088429914 1359897462 /nfs/dbraw/zinc/89/74/62/1359897462.db2.gz CXFMBLATRGBTOE-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088622267 1359993974 /nfs/dbraw/zinc/99/39/74/1359993974.db2.gz OHFJSBGUFWQBCN-RLLQIKCJSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897701 1360097828 /nfs/dbraw/zinc/09/78/28/1360097828.db2.gz TYOFJYWTBSRTGY-HBFSDRIKSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334737 1360347698 /nfs/dbraw/zinc/34/76/98/1360347698.db2.gz KGBQOKOFBTVTTK-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089429801 1360421910 /nfs/dbraw/zinc/42/19/10/1360421910.db2.gz FAAWNJUUPKUZNW-QGZVFWFLSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445392 1360434378 /nfs/dbraw/zinc/43/43/78/1360434378.db2.gz HSWKZBQFVBIQRY-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445393 1360434497 /nfs/dbraw/zinc/43/44/97/1360434497.db2.gz HSWKZBQFVBIQRY-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473578 1360457235 /nfs/dbraw/zinc/45/72/35/1360457235.db2.gz ZAUPUZFLOZJVCQ-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492536 1360470213 /nfs/dbraw/zinc/47/02/13/1360470213.db2.gz KDVUBJKGYPRPHA-MSOLQXFVSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089509056 1360480819 /nfs/dbraw/zinc/48/08/19/1360480819.db2.gz DIJMEVOYCFRENP-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559893 1360507051 /nfs/dbraw/zinc/50/70/51/1360507051.db2.gz SVPGWRFSDNNEFD-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CC2)C1 ZINC001089683773 1360589417 /nfs/dbraw/zinc/58/94/17/1360589417.db2.gz FXAQGRIFZIXHNJ-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001089685504 1360591395 /nfs/dbraw/zinc/59/13/95/1360591395.db2.gz DFLPBKBFJXVDOR-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705777 1360608187 /nfs/dbraw/zinc/60/81/87/1360608187.db2.gz JJVQDGIEBJPAFZ-ROUUACIJSA-N 2 0 337.552 3.266 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001184551388 1387489634 /nfs/dbraw/zinc/48/96/34/1387489634.db2.gz MLFNGLOKUWACPS-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001091100201 1360991697 /nfs/dbraw/zinc/99/16/97/1360991697.db2.gz KZFFUFFZKIWTDI-MHJFOBGBSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184565285 1387493550 /nfs/dbraw/zinc/49/35/50/1387493550.db2.gz HNEWCFXYADPUBA-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780443 1361218312 /nfs/dbraw/zinc/21/83/12/1361218312.db2.gz KRJRNTBHCBRFFN-SBHAEUEKSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001323992310 1387505393 /nfs/dbraw/zinc/50/53/93/1387505393.db2.gz RMNUSFDUABGXDP-WZONZLPQSA-N 2 0 349.522 3.457 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092302107 1361358813 /nfs/dbraw/zinc/35/88/13/1361358813.db2.gz UAKQBIVKZLQJBP-LQWHRVPQSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676613 1361439751 /nfs/dbraw/zinc/43/97/51/1361439751.db2.gz GBEUZERKHKDTFW-QWFCFKBJSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184724715 1387521436 /nfs/dbraw/zinc/52/14/36/1387521436.db2.gz OOIYFBFZJHKSBW-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497093 1361830922 /nfs/dbraw/zinc/83/09/22/1361830922.db2.gz ODYATSSZXNSWNF-QKNQBKEWSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001324097249 1387540194 /nfs/dbraw/zinc/54/01/94/1387540194.db2.gz ITIKGVDZTURFDD-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095404939 1362129758 /nfs/dbraw/zinc/12/97/58/1362129758.db2.gz GZUDJNWTSRMRHL-YDZRNGNQSA-N 2 0 335.536 3.017 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(CC)CC ZINC001095498815 1362157708 /nfs/dbraw/zinc/15/77/08/1362157708.db2.gz FMVWPBPAHIXZEU-YDZRNGNQSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)[NH+]1CCCC1 ZINC001095864397 1362259182 /nfs/dbraw/zinc/25/91/82/1362259182.db2.gz KIUMCWDAFYIIBQ-QYZOEREBSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001096101461 1362382767 /nfs/dbraw/zinc/38/27/67/1362382767.db2.gz XCEVGJGIXNGMDY-LMCOJAPRSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001185032175 1387592328 /nfs/dbraw/zinc/59/23/28/1387592328.db2.gz UIHMHUXBXSEWDG-ROUUACIJSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001097177299 1362875495 /nfs/dbraw/zinc/87/54/95/1362875495.db2.gz NARCJXBSFKWCPY-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@@H](C(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1)[NH+]1CCCCCC1 ZINC001324336393 1387597544 /nfs/dbraw/zinc/59/75/44/1387597544.db2.gz YQDDRGRMICNYOX-XBMUEBEBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097316649 1362928048 /nfs/dbraw/zinc/92/80/48/1362928048.db2.gz WYWSYLPHSUQSJW-KURKYZTESA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001097695339 1363103257 /nfs/dbraw/zinc/10/32/57/1363103257.db2.gz XNEOPRLJWPQQJR-MANSERQUSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097848975 1363141176 /nfs/dbraw/zinc/14/11/76/1363141176.db2.gz YIYCUMUXQYPCJH-AFYVEPGGSA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCCC2)C1 ZINC001098394646 1363315528 /nfs/dbraw/zinc/31/55/28/1363315528.db2.gz PHAZCNFOZABHLM-NMLBUPMWSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120297 1387622913 /nfs/dbraw/zinc/62/29/13/1387622913.db2.gz QFDNTWXXNIGOMW-IEBWSBKVSA-N 2 0 335.536 3.164 20 0 EGADRP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C1CCCC1 ZINC001098812764 1363478250 /nfs/dbraw/zinc/47/82/50/1363478250.db2.gz DFYWZKVZXUFYGT-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185170980 1387632709 /nfs/dbraw/zinc/63/27/09/1387632709.db2.gz SIOHPKDKRIMUAE-QZTJIDSGSA-N 2 0 337.552 3.005 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059938 1363600568 /nfs/dbraw/zinc/60/05/68/1363600568.db2.gz RDMYOWBBZGETRG-ZJOUEHCJSA-N 2 0 347.547 3.188 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236290 1363707218 /nfs/dbraw/zinc/70/72/18/1363707218.db2.gz ZMNACCAGSWRPPT-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236293 1363707244 /nfs/dbraw/zinc/70/72/44/1363707244.db2.gz ZMNACCAGSWRPPT-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099309211 1363742063 /nfs/dbraw/zinc/74/20/63/1363742063.db2.gz BFFALZOWOWFBDU-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099320653 1363748066 /nfs/dbraw/zinc/74/80/66/1363748066.db2.gz KWYHRPAYUNOPMW-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C[C@@H](C)CC ZINC001099321425 1363749639 /nfs/dbraw/zinc/74/96/39/1363749639.db2.gz WNDOQACZFNKMEG-ROUUACIJSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001099347708 1363764164 /nfs/dbraw/zinc/76/41/64/1363764164.db2.gz AWPFCIRGHAALLS-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551652 1363844489 /nfs/dbraw/zinc/84/44/89/1363844489.db2.gz AQMWEFJSWRPMKE-YRPNKDGESA-N 2 0 349.563 3.077 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405879 1364103993 /nfs/dbraw/zinc/10/39/93/1364103993.db2.gz QNVKGMHISQSCRL-QLOJAFMTSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100410575 1364105198 /nfs/dbraw/zinc/10/51/98/1364105198.db2.gz CUKORMUGYNZIBP-WWDZGPRUSA-N 2 0 343.515 3.025 20 0 EGADRP C[C@@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001100681251 1364215660 /nfs/dbraw/zinc/21/56/60/1364215660.db2.gz DHXSWYBKPBXOLQ-LRYGQEGESA-N 2 0 345.531 3.210 20 0 EGADRP C[C@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001100731914 1364239403 /nfs/dbraw/zinc/23/94/03/1364239403.db2.gz LFTWZFTXEIPBNX-LRYGQEGESA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001100756884 1364247961 /nfs/dbraw/zinc/24/79/61/1364247961.db2.gz SYAJCRXCKBSFDA-AATRIKPKSA-N 2 0 343.515 3.203 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101258723 1364489223 /nfs/dbraw/zinc/48/92/23/1364489223.db2.gz HHGNEWAHLISDOP-DYXWJJEUSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285327 1364498862 /nfs/dbraw/zinc/49/88/62/1364498862.db2.gz YTGLTVBNPBLWHR-VJZRLWATSA-N 2 0 349.563 3.243 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101285146 1364499087 /nfs/dbraw/zinc/49/90/87/1364499087.db2.gz QKCTUPGYAUKWFJ-NQIIRXRSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001101547505 1364611503 /nfs/dbraw/zinc/61/15/03/1364611503.db2.gz DCCSCJAULPNTAR-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021141 1364813800 /nfs/dbraw/zinc/81/38/00/1364813800.db2.gz IXFFZXNYHVOQDK-FBYXPACISA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102061950 1364829442 /nfs/dbraw/zinc/82/94/42/1364829442.db2.gz NZTUBMQZWXGBLC-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@@]1(CO)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001324633781 1387710489 /nfs/dbraw/zinc/71/04/89/1387710489.db2.gz KVLHOKFDLOEKAU-NRFANRHFSA-N 2 0 332.532 3.485 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001102524331 1365098269 /nfs/dbraw/zinc/09/82/69/1365098269.db2.gz AGDHHPYKOQRQPU-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987372 1365328418 /nfs/dbraw/zinc/32/84/18/1365328418.db2.gz ACXMVTLASPNNKV-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185527836 1387739753 /nfs/dbraw/zinc/73/97/53/1387739753.db2.gz VIEMLHJUPORGSH-MJGOQNOKSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103307986 1365485452 /nfs/dbraw/zinc/48/54/52/1365485452.db2.gz ONIZXWNJWHGZQJ-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378920 1365525499 /nfs/dbraw/zinc/52/54/99/1365525499.db2.gz QTJDBQVHVVDBBB-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753765 1365764858 /nfs/dbraw/zinc/76/48/58/1365764858.db2.gz ZDBGJLIPXQMOBW-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CCNC(=O)CCCC[NH+]1CCCC1 ZINC001103773637 1365777732 /nfs/dbraw/zinc/77/77/32/1365777732.db2.gz JDGMFBFDXVERNG-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001185679303 1387775028 /nfs/dbraw/zinc/77/50/28/1387775028.db2.gz BKZCALGHKOGTNX-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001104211054 1365952846 /nfs/dbraw/zinc/95/28/46/1365952846.db2.gz PCLAWNNYOLELSV-CCUKAZOQSA-N 2 0 349.563 3.147 20 0 EGADRP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104322391 1365979933 /nfs/dbraw/zinc/97/99/33/1365979933.db2.gz GMTAFWFVRUWVGQ-QRQLOZEOSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345449 1365982581 /nfs/dbraw/zinc/98/25/81/1365982581.db2.gz HTMGWGORHPMCGC-RTBURBONSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001185709536 1387784112 /nfs/dbraw/zinc/78/41/12/1387784112.db2.gz IOIKEKFNXKKVHB-QUCCMNQESA-N 2 0 349.563 3.127 20 0 EGADRP CCC(CC)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001324835520 1387786653 /nfs/dbraw/zinc/78/66/53/1387786653.db2.gz YLQSSWJHVYBOQA-HXUWFJFHSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185740199 1387787365 /nfs/dbraw/zinc/78/73/65/1387787365.db2.gz BGIPJMRLFMIMSS-UVEXCMSLSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185742713 1387788586 /nfs/dbraw/zinc/78/85/86/1387788586.db2.gz VSHBPCMSJIZWDQ-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001185770991 1387794847 /nfs/dbraw/zinc/79/48/47/1387794847.db2.gz IVKNZWSGHLYROW-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001104874503 1366206214 /nfs/dbraw/zinc/20/62/14/1366206214.db2.gz WJVKHUVIDWGVKL-UYAOXDASSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104937791 1366231197 /nfs/dbraw/zinc/23/11/97/1366231197.db2.gz HQLCOSCMSKTCQZ-TYFAACHXSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062282 1366301025 /nfs/dbraw/zinc/30/10/25/1366301025.db2.gz KRPJCBJTMKGERQ-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)C[NH+]1CCC(C)(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001324904622 1387813911 /nfs/dbraw/zinc/81/39/11/1387813911.db2.gz KEGBDHLACVNJHG-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518514 1366505862 /nfs/dbraw/zinc/50/58/62/1366505862.db2.gz ZZTPOOCQUHXGQO-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105563351 1366532995 /nfs/dbraw/zinc/53/29/95/1366532995.db2.gz KSLZMTFXEDKVIM-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]C(C)C)CCC1 ZINC001105574596 1366539413 /nfs/dbraw/zinc/53/94/13/1366539413.db2.gz BSONPRQTCADTRF-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@]23CC[N@H+](C2)CCC3)CCC1 ZINC001105577753 1366541777 /nfs/dbraw/zinc/54/17/77/1366541777.db2.gz ZKTCLGAVOZSKJA-NQIIRXRSSA-N 2 0 347.547 3.022 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571223 1366740526 /nfs/dbraw/zinc/74/05/26/1366740526.db2.gz PYGXMKCGFMGUGG-VMASUYHGSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455099 1366969526 /nfs/dbraw/zinc/96/95/26/1366969526.db2.gz WESUKILFMWBYEV-PLUMIXRBSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109272921 1367036222 /nfs/dbraw/zinc/03/62/22/1367036222.db2.gz RVTQCEFDSNRFOD-YDZRNGNQSA-N 2 0 335.536 3.161 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1=CCCCC1)CC2)[NH+](C)C ZINC001107553375 1367039548 /nfs/dbraw/zinc/03/95/48/1367039548.db2.gz IIJPWYXEFCZILX-QKNQBKEWSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646598 1367091820 /nfs/dbraw/zinc/09/18/20/1367091820.db2.gz MIWKHVKLOWFHPK-SVFBPWRDSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)C1CC1 ZINC001109405008 1367106415 /nfs/dbraw/zinc/10/64/15/1367106415.db2.gz WKZDBIJZYZXJJJ-FUMNGEBKSA-N 2 0 347.547 3.019 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001189912802 1367130187 /nfs/dbraw/zinc/13/01/87/1367130187.db2.gz FRMCZIRPDBETTK-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1)C1CCCCC1 ZINC001109560527 1367198215 /nfs/dbraw/zinc/19/82/15/1367198215.db2.gz FPBHHQHACMGCNW-AABGKKOBSA-N 2 0 347.547 3.163 20 0 EGADRP CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C3)C1 ZINC001109565395 1367202123 /nfs/dbraw/zinc/20/21/23/1367202123.db2.gz NJNRHRMHTUUDLW-GXZRBYELSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001190655518 1367318131 /nfs/dbraw/zinc/31/81/31/1367318131.db2.gz POJNAUFOSIVRMZ-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001190997030 1367398826 /nfs/dbraw/zinc/39/88/26/1367398826.db2.gz PTGFEJTWNUJVGJ-IBGZPJMESA-N 2 0 345.531 3.066 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001191029085 1367405093 /nfs/dbraw/zinc/40/50/93/1367405093.db2.gz FUGFIBPKZQEDEB-QZTJIDSGSA-N 2 0 345.531 3.319 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001191030224 1367406064 /nfs/dbraw/zinc/40/60/64/1367406064.db2.gz SAFDENFEXYSAIT-GOSISDBHSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001110019338 1367461133 /nfs/dbraw/zinc/46/11/33/1367461133.db2.gz RTIRUYVXDPOZED-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114884 1367507726 /nfs/dbraw/zinc/50/77/26/1367507726.db2.gz MBBBKIRAQVPFIX-YRXWBPOGSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551416 1367526357 /nfs/dbraw/zinc/52/63/57/1367526357.db2.gz LUGYHUMISTUWNQ-IBGZPJMESA-N 2 0 335.536 3.140 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717462 1367553745 /nfs/dbraw/zinc/55/37/45/1367553745.db2.gz LAWITXDOHIDVAE-WVTGGUBDSA-N 2 0 335.536 3.042 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108784129 1367594882 /nfs/dbraw/zinc/59/48/82/1367594882.db2.gz JGGNRHDVCZMTOE-VAMICUEPSA-N 2 0 347.547 3.044 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001108799028 1367603067 /nfs/dbraw/zinc/60/30/67/1367603067.db2.gz KGCVPYRXPOFERA-ULQDDVLXSA-N 2 0 346.519 3.093 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823055 1367619035 /nfs/dbraw/zinc/61/90/35/1367619035.db2.gz HLHZSISEZNGWFE-ZCNNSNEGSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108827724 1367623293 /nfs/dbraw/zinc/62/32/93/1367623293.db2.gz ADWOYGCNHGQNQK-PRVURJPBSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001191891281 1367628352 /nfs/dbraw/zinc/62/83/52/1367628352.db2.gz HQBNHCLPQXQVMX-UHFFFAOYSA-N 2 0 345.531 3.329 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+](C)CC3CCC(C)(C)CC3)C2)CC1 ZINC001192015821 1367664942 /nfs/dbraw/zinc/66/49/42/1367664942.db2.gz AEQTWGKJUWNKHI-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001192045576 1367674225 /nfs/dbraw/zinc/67/42/25/1367674225.db2.gz GLDWKDHHUKPKLG-MOPGFXCFSA-N 2 0 345.531 3.239 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001192191266 1367712429 /nfs/dbraw/zinc/71/24/29/1367712429.db2.gz XGAGMFRTCHFBEY-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001192384889 1367769765 /nfs/dbraw/zinc/76/97/65/1367769765.db2.gz BJBMROMWFSWFKS-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192672159 1367846250 /nfs/dbraw/zinc/84/62/50/1367846250.db2.gz ULCYPFJXONVLIK-MOPGFXCFSA-N 2 0 337.552 3.362 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001110626727 1367875128 /nfs/dbraw/zinc/87/51/28/1367875128.db2.gz NYBNHSQNRYTDTD-AKHDSKFASA-N 2 0 335.536 3.163 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC2CC(C)C2)C1 ZINC001192905931 1367901233 /nfs/dbraw/zinc/90/12/33/1367901233.db2.gz IFECVWMYMDQLIL-CTWPCTMYSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001110684265 1367925977 /nfs/dbraw/zinc/92/59/77/1367925977.db2.gz CNCOSLSWSKPLKI-WTGUMLROSA-N 2 0 345.531 3.083 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110753939 1367961787 /nfs/dbraw/zinc/96/17/87/1367961787.db2.gz AYYBKZCNQCAEET-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)CC1 ZINC001193205033 1367965790 /nfs/dbraw/zinc/96/57/90/1367965790.db2.gz QCKZXLOWDKCEJC-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193280023 1367990001 /nfs/dbraw/zinc/99/00/01/1367990001.db2.gz SUSWQRDHXNUJIC-RTBURBONSA-N 2 0 345.531 3.239 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810084 1368004631 /nfs/dbraw/zinc/00/46/31/1368004631.db2.gz FULSDSWGZCWTSB-QRQLOZEOSA-N 2 0 340.471 3.250 20 0 EGADRP Cc1c(C(=O)NC2CCC([NH+]3CCCCC3)CC2)ccc2c[nH+]cn21 ZINC001325205685 1387914464 /nfs/dbraw/zinc/91/44/64/1387914464.db2.gz DLCCPPJDWWRURU-UHFFFAOYSA-N 2 0 340.471 3.170 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1 ZINC001193389700 1368016749 /nfs/dbraw/zinc/01/67/49/1368016749.db2.gz GMNYMBQVEWJAJN-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1c(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)ccc2c[nH+]cn21 ZINC001325206695 1387914733 /nfs/dbraw/zinc/91/47/33/1387914733.db2.gz XLMORHREJGTVET-UHFFFAOYSA-N 2 0 348.450 3.384 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847475 1368028868 /nfs/dbraw/zinc/02/88/68/1368028868.db2.gz SXNOHFBOCORTNK-ZRNYENFQSA-N 2 0 347.547 3.019 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862540 1368041913 /nfs/dbraw/zinc/04/19/13/1368041913.db2.gz VBAAESSCWFBZBB-GJGSYKPXSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001193600764 1368070434 /nfs/dbraw/zinc/07/04/34/1368070434.db2.gz LCRVIUJYPQSJJG-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025056 1368145955 /nfs/dbraw/zinc/14/59/55/1368145955.db2.gz JXALZQZIOQHFNW-MKXGPGLRSA-N 2 0 349.563 3.122 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111030871 1368146187 /nfs/dbraw/zinc/14/61/87/1368146187.db2.gz IEEMTZZKQJQGCC-KURKYZTESA-N 2 0 337.552 3.266 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC1 ZINC001111099697 1368157819 /nfs/dbraw/zinc/15/78/19/1368157819.db2.gz SPVZNDWWXRPNOA-QRVBRYPASA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097013 1368158434 /nfs/dbraw/zinc/15/84/34/1368158434.db2.gz GOKZPCBWIXIVLW-SXWQNMERSA-N 2 0 347.547 3.329 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081831 1368180202 /nfs/dbraw/zinc/18/02/02/1368180202.db2.gz XNCSESJTLMGRSY-VZSQWMKGSA-N 2 0 335.536 3.142 20 0 EGADRP Cc1cccc([C@@H](O)C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC001194203214 1368207301 /nfs/dbraw/zinc/20/73/01/1368207301.db2.gz FFAHEVRJLKISLK-QFIPXVFZSA-N 2 0 347.462 3.399 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1C ZINC001111233697 1368209465 /nfs/dbraw/zinc/20/94/65/1368209465.db2.gz UJWWIMPYZTXBHX-LFGUQSLTSA-N 2 0 343.515 3.119 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406967 1368254659 /nfs/dbraw/zinc/25/46/59/1368254659.db2.gz FEEKAXZCXUPODG-SJORKVTESA-N 2 0 349.519 3.314 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430060 1368260492 /nfs/dbraw/zinc/26/04/92/1368260492.db2.gz RCVJKWDLBHIJSA-PHWHVTFISA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001111308791 1368262643 /nfs/dbraw/zinc/26/26/43/1368262643.db2.gz WXZOHVYCJNGGQX-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416572 1368304002 /nfs/dbraw/zinc/30/40/02/1368304002.db2.gz RCWROUYEGPQIII-ILRJUJNRSA-N 2 0 347.547 3.330 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494627 1368320807 /nfs/dbraw/zinc/32/08/07/1368320807.db2.gz YXGMNTJKWAXJNK-MKXGPGLRSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001186412772 1387936713 /nfs/dbraw/zinc/93/67/13/1387936713.db2.gz RLLFHODECRZALX-IBHIWXBSSA-N 2 0 337.552 3.435 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186421000 1387938794 /nfs/dbraw/zinc/93/87/94/1387938794.db2.gz URODDGRNCCHCSZ-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740778 1368437274 /nfs/dbraw/zinc/43/72/74/1368437274.db2.gz NNCQICLFPSTHQE-WHGMVNQHSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740846 1368438537 /nfs/dbraw/zinc/43/85/37/1368438537.db2.gz QOMVXLCFCQHQQJ-ZVDOUQERSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821068 1368482241 /nfs/dbraw/zinc/48/22/41/1368482241.db2.gz IYEFRNXNVPCDEV-WFXMLNOXSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785837 1368490453 /nfs/dbraw/zinc/49/04/53/1368490453.db2.gz XNEOLQVVKLHDJV-RURPWVQCSA-N 2 0 335.536 3.140 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2 ZINC001111858240 1368509876 /nfs/dbraw/zinc/50/98/76/1368509876.db2.gz VIOAUSXHKKTUCG-PXNSSMCTSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1=CCCCC1)C2 ZINC001111927822 1368564223 /nfs/dbraw/zinc/56/42/23/1368564223.db2.gz PCZQFHPFBIVMBQ-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)C1 ZINC001111938316 1368568116 /nfs/dbraw/zinc/56/81/16/1368568116.db2.gz WCJMZRQBKZJKIS-LQWHRVPQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950884 1368570975 /nfs/dbraw/zinc/57/09/75/1368570975.db2.gz GUJLIULBNAHVMG-QGELVWPYSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275943 1368582101 /nfs/dbraw/zinc/58/21/01/1368582101.db2.gz PCLJWCIBEAWMSJ-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[N@H+](Cc3ccsc3)CC2)CCCC1 ZINC001196656701 1368657555 /nfs/dbraw/zinc/65/75/55/1368657555.db2.gz SXIDGSJMLGNBIB-UHFFFAOYSA-N 2 0 349.544 3.047 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001197043149 1368734841 /nfs/dbraw/zinc/73/48/41/1368734841.db2.gz CCMSCUDOHBFFLS-GOSISDBHSA-N 2 0 345.531 3.357 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197141310 1368753430 /nfs/dbraw/zinc/75/34/30/1368753430.db2.gz GJIISGMZVVWQPE-SFHVURJKSA-N 2 0 325.541 3.221 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197331316 1368789074 /nfs/dbraw/zinc/78/90/74/1368789074.db2.gz JOWFQGVLBMLRQT-VOFKWLDRSA-N 2 0 335.536 3.140 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112382356 1368810152 /nfs/dbraw/zinc/81/01/52/1368810152.db2.gz SZZYESAGYXQDIW-ZJOUEHCJSA-N 2 0 347.547 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001197659700 1368866230 /nfs/dbraw/zinc/86/62/30/1368866230.db2.gz PTQNTQUGLPPTAB-VOTSOKGWSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001112516296 1368910689 /nfs/dbraw/zinc/91/06/89/1368910689.db2.gz CGUHHMMCNOVVBO-IWFBPKFRSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001197879857 1368918803 /nfs/dbraw/zinc/91/88/03/1368918803.db2.gz NZDPIIBYPQBSQR-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001197886706 1368920054 /nfs/dbraw/zinc/92/00/54/1368920054.db2.gz ZALHYFIKTDUBHP-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001197922382 1368924657 /nfs/dbraw/zinc/92/46/57/1368924657.db2.gz QZWLLLQLMKRKMP-IBGZPJMESA-N 2 0 331.504 3.014 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCC2)C1 ZINC001112567272 1368931006 /nfs/dbraw/zinc/93/10/06/1368931006.db2.gz GCNWTUAEHOPMJN-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585175 1368938239 /nfs/dbraw/zinc/93/82/39/1368938239.db2.gz FBLDJROQRLYOCA-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198259467 1368991465 /nfs/dbraw/zinc/99/14/65/1368991465.db2.gz MCTOWILEHUEIBI-GHOSXJJBSA-N 2 0 335.536 3.142 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC[N@H+](Cc2ccsc2)CC1 ZINC001198364493 1369016588 /nfs/dbraw/zinc/01/65/88/1369016588.db2.gz XBDGMDVYKPODTO-UHFFFAOYSA-N 2 0 349.544 3.049 20 0 EGADRP CC[NH+]1CCC(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC001200232608 1369332397 /nfs/dbraw/zinc/33/23/97/1369332397.db2.gz NUEQFCFQTGHJEH-UHFFFAOYSA-N 3 0 331.548 3.466 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)cc1 ZINC001200400701 1369361210 /nfs/dbraw/zinc/36/12/10/1369361210.db2.gz LQCCNZBJGFNXNP-OAQYLSRUSA-N 2 0 340.467 3.031 20 0 EGADRP C[C@@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC001113401922 1369400366 /nfs/dbraw/zinc/40/03/66/1369400366.db2.gz XNAZWNLATUVOPC-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001201182770 1369491466 /nfs/dbraw/zinc/49/14/66/1369491466.db2.gz MYWTXFHAUDXTOP-LJQANCHMSA-N 2 0 348.535 3.487 20 0 EGADRP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201229897 1369499832 /nfs/dbraw/zinc/49/98/32/1369499832.db2.gz HNTSEZDECGBOIB-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001201313759 1369516779 /nfs/dbraw/zinc/51/67/79/1369516779.db2.gz HBQPEZAVPYKIRZ-INIZCTEOSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001201321733 1369519132 /nfs/dbraw/zinc/51/91/32/1369519132.db2.gz VFFZBJDGWGBGFX-QGZVFWFLSA-N 2 0 345.531 3.367 20 0 EGADRP c1cc(C[NH+]2CCO[C@@H]3C[N@H+](CC4CCCCC4)CC[C@@H]3C2)ccn1 ZINC001201394109 1369534917 /nfs/dbraw/zinc/53/49/17/1369534917.db2.gz PRUMIAUHFOFGJU-NHCUHLMSSA-N 2 0 343.515 3.185 20 0 EGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC001201410037 1369538893 /nfs/dbraw/zinc/53/88/93/1369538893.db2.gz HATRPBDGZGLCAK-CGXNFDGLSA-N 2 0 342.531 3.413 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001201503824 1369558650 /nfs/dbraw/zinc/55/86/50/1369558650.db2.gz SCOCGBLFWOSVFX-MTFMMBMASA-N 2 0 338.536 3.013 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(-c4cccnc4)ccn3)cc[nH+]2)CC1 ZINC001201649307 1369596444 /nfs/dbraw/zinc/59/64/44/1369596444.db2.gz RNOMTCSVUICBAZ-UHFFFAOYSA-N 2 0 346.438 3.034 20 0 EGADRP CCOc1ccc(F)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201665714 1369600423 /nfs/dbraw/zinc/60/04/23/1369600423.db2.gz GSXYPBKXEGIOOZ-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc(F)c4cccnc34)cc[nH+]2)CC1 ZINC001201666678 1369601184 /nfs/dbraw/zinc/60/11/84/1369601184.db2.gz FNSBOSMUHMEDII-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cc(F)cc4cccnc43)cc[nH+]2)CC1 ZINC001201666846 1369601861 /nfs/dbraw/zinc/60/18/61/1369601861.db2.gz GLGVKUUYQHLWEH-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP CSCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201680152 1369604936 /nfs/dbraw/zinc/60/49/36/1369604936.db2.gz BKEJBCGPNWWSOW-IBGZPJMESA-N 2 0 348.556 3.495 20 0 EGADRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202139064 1369698582 /nfs/dbraw/zinc/69/85/82/1369698582.db2.gz LUQVLWKKMBCCEM-HXUWFJFHSA-N 2 0 343.515 3.327 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144813 1369700575 /nfs/dbraw/zinc/70/05/75/1369700575.db2.gz KDHKYGQUPLAFIA-RURPWVQCSA-N 2 0 349.563 3.435 20 0 EGADRP CC[NH+](CC)CCN(CCCC(F)(F)F)CC[NH+](CC)CC ZINC001202434028 1369771120 /nfs/dbraw/zinc/77/11/20/1369771120.db2.gz XXCOVNIPEOKQKY-UHFFFAOYSA-N 2 0 325.463 3.315 20 0 EGADRP C[N@H+](CC(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001202540026 1369802513 /nfs/dbraw/zinc/80/25/13/1369802513.db2.gz SNCLAPKMYPTKTE-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202771317 1369885545 /nfs/dbraw/zinc/88/55/45/1369885545.db2.gz AXIDXAYNQHOJAZ-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202990962 1369947740 /nfs/dbraw/zinc/94/77/40/1369947740.db2.gz GHBAXMCVSSYQQP-SFHVURJKSA-N 2 0 325.541 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202992239 1369948546 /nfs/dbraw/zinc/94/85/46/1369948546.db2.gz YXJMPEZPYLTCQT-VJIACCKLSA-N 2 0 337.552 3.290 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCC3)C23CCC3)CCC1 ZINC001203027556 1369958971 /nfs/dbraw/zinc/95/89/71/1369958971.db2.gz GONZDXNJAPNIMJ-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(C(F)F)c2)CC[NH2+]CC1 ZINC001325742055 1388039087 /nfs/dbraw/zinc/03/90/87/1388039087.db2.gz AJRNDLNMNKRZMN-CYBMUJFWSA-N 2 0 340.414 3.035 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C23CCC3)CCC1 ZINC001203029689 1369960531 /nfs/dbraw/zinc/96/05/31/1369960531.db2.gz UVWMWIXOELUZNS-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cncc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)n1 ZINC001203165416 1370007049 /nfs/dbraw/zinc/00/70/49/1370007049.db2.gz GKVBKYGGMVVPCT-LJQANCHMSA-N 2 0 340.471 3.255 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330620 1370084954 /nfs/dbraw/zinc/08/49/54/1370084954.db2.gz MLGSNCFWGLHIFR-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420943 1370118532 /nfs/dbraw/zinc/11/85/32/1370118532.db2.gz XZTXBRUCKQUBQN-ZWKOTPCHSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419781 1370118719 /nfs/dbraw/zinc/11/87/19/1370118719.db2.gz NKBDVGKTTBFULQ-IAGOWNOFSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203460295 1370134423 /nfs/dbraw/zinc/13/44/23/1370134423.db2.gz ATFVTHIJNBHCRA-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203630472 1370192871 /nfs/dbraw/zinc/19/28/71/1370192871.db2.gz GWOFALXSSFHXHX-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203640882 1370197598 /nfs/dbraw/zinc/19/75/98/1370197598.db2.gz JVBASCUNGBYILF-ROUUACIJSA-N 2 0 349.563 3.172 20 0 EGADRP Cc1cc(C)c(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001203740319 1370243623 /nfs/dbraw/zinc/24/36/23/1370243623.db2.gz HHBAFQOVHKDIGJ-UHFFFAOYSA-N 2 0 329.532 3.071 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203904523 1370308663 /nfs/dbraw/zinc/30/86/63/1370308663.db2.gz ZGXUHFMFEKONAD-YJJPMGAVSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001115249867 1370344708 /nfs/dbraw/zinc/34/47/08/1370344708.db2.gz OHBCOKLSJOVWRL-NXEFXDMPSA-N 2 0 347.547 3.045 20 0 EGADRP Oc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001204093084 1370376012 /nfs/dbraw/zinc/37/60/12/1370376012.db2.gz AGDQJRPKSNWMRP-UHFFFAOYSA-N 2 0 326.440 3.473 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@]1(C)O ZINC001204263096 1370425159 /nfs/dbraw/zinc/42/51/59/1370425159.db2.gz GOOUIUONOWEHOX-FXAWDEMLSA-N 2 0 334.504 3.000 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC001204266912 1370426967 /nfs/dbraw/zinc/42/69/67/1370426967.db2.gz AZKOBTAOBGDJKN-HXUWFJFHSA-N 2 0 339.483 3.402 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001204267383 1370427371 /nfs/dbraw/zinc/42/73/71/1370427371.db2.gz RMHQHZLNLMJWSX-UYAOXDASSA-N 2 0 332.488 3.018 20 0 EGADRP COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204269239 1370427651 /nfs/dbraw/zinc/42/76/51/1370427651.db2.gz YAEMSKMRXMOATD-LJQANCHMSA-N 2 0 334.504 3.407 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115535349 1370531999 /nfs/dbraw/zinc/53/19/99/1370531999.db2.gz SJFQLJQDODCXDL-IAGOWNOFSA-N 2 0 341.515 3.016 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535247 1370532439 /nfs/dbraw/zinc/53/24/39/1370532439.db2.gz OVQPWFTVWUTTFB-SFHVURJKSA-N 2 0 337.552 3.458 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001187231187 1388077978 /nfs/dbraw/zinc/07/79/78/1388077978.db2.gz IEHPJUGXESKRKI-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115544962 1370542002 /nfs/dbraw/zinc/54/20/02/1370542002.db2.gz KCDUGBHYEVKLMS-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP COc1c(Cl)ccc(F)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743028 1370562203 /nfs/dbraw/zinc/56/22/03/1370562203.db2.gz XSBPBTUCGSYEHO-UHFFFAOYSA-N 2 0 326.843 3.453 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115563331 1370563196 /nfs/dbraw/zinc/56/31/96/1370563196.db2.gz RPTYGSAIDXEONW-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579271 1370582705 /nfs/dbraw/zinc/58/27/05/1370582705.db2.gz FXAGQTVOWYJOJL-GOSISDBHSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582321 1370584236 /nfs/dbraw/zinc/58/42/36/1370584236.db2.gz VPEICTWPOJPSTK-SFHVURJKSA-N 2 0 339.568 3.418 20 0 EGADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205008843 1370626922 /nfs/dbraw/zinc/62/69/22/1370626922.db2.gz FKNKIZRUZIJGTI-GFCCVEGCSA-N 2 0 336.277 3.362 20 0 EGADRP COc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205041576 1370636817 /nfs/dbraw/zinc/63/68/17/1370636817.db2.gz XJJPZLIIBPNVQG-UHFFFAOYSA-N 2 0 340.467 3.445 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661726 1370645772 /nfs/dbraw/zinc/64/57/72/1370645772.db2.gz MPGRYLLDZSFAQT-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)cc2)cc1 ZINC001205124101 1370658067 /nfs/dbraw/zinc/65/80/67/1370658067.db2.gz KFFRKTJTPZXIHR-HXUWFJFHSA-N 2 0 338.451 3.453 20 0 EGADRP Cc1nn(-c2ccc(C)cc2)c(Cl)c1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146085 1370662454 /nfs/dbraw/zinc/66/24/54/1370662454.db2.gz MXSZAPMNMKKVDI-DZGCQCFKSA-N 2 0 332.879 3.169 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001205208123 1370680379 /nfs/dbraw/zinc/68/03/79/1370680379.db2.gz AMFZUYKOIZGHBJ-GOSISDBHSA-N 2 0 334.847 3.276 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)CC1 ZINC001205248161 1370694540 /nfs/dbraw/zinc/69/45/40/1370694540.db2.gz NIHLCJGUOLEFIF-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2ccc(C[NH+](C)C)c(F)c2)cn1 ZINC001205255745 1370697322 /nfs/dbraw/zinc/69/73/22/1370697322.db2.gz NKVPVPTWNAKFNN-UHFFFAOYSA-N 2 0 331.435 3.280 20 0 EGADRP COc1ccc(Br)cc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205257480 1370697727 /nfs/dbraw/zinc/69/77/27/1370697727.db2.gz VTVGYSPHMDOYKF-HNNXBMFYSA-N 2 0 327.266 3.161 20 0 EGADRP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]c3cc(Br)cnc23)CC1 ZINC001205281036 1370705198 /nfs/dbraw/zinc/70/51/98/1370705198.db2.gz OKHUIZYYXGQMPH-OAHLLOKOSA-N 2 0 337.265 3.029 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CCC2CC2)CCCCC1)[NH+](CC)CC ZINC001115726588 1370707103 /nfs/dbraw/zinc/70/71/03/1370707103.db2.gz JQJLUBQOIVXQJX-SFHVURJKSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729930 1370712334 /nfs/dbraw/zinc/71/23/34/1370712334.db2.gz YHUVIMWNAQBVFM-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730484 1370713023 /nfs/dbraw/zinc/71/30/23/1370713023.db2.gz LAURHRBNWBEJLF-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115769033 1370753235 /nfs/dbraw/zinc/75/32/35/1370753235.db2.gz SLJMISLMBZSHCI-ROUUACIJSA-N 2 0 335.536 3.212 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C(F)(F)F)nc1)CC2 ZINC001205444142 1370757678 /nfs/dbraw/zinc/75/76/78/1370757678.db2.gz PJOSKBPXWIMAJE-UHFFFAOYSA-N 2 0 327.394 3.408 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115776146 1370759385 /nfs/dbraw/zinc/75/93/85/1370759385.db2.gz KTWSISOPSWBNRR-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001115778545 1370761668 /nfs/dbraw/zinc/76/16/68/1370761668.db2.gz FDEXGGPHNRSAJP-QRVBRYPASA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205520023 1370779486 /nfs/dbraw/zinc/77/94/86/1370779486.db2.gz QMYSEGXDDGVSFE-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205526109 1370781610 /nfs/dbraw/zinc/78/16/10/1370781610.db2.gz DMROSWRKIQAZMS-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP COC(=O)CCCCCCCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545318 1370786922 /nfs/dbraw/zinc/78/69/22/1370786922.db2.gz CYSQHRIJGNAWFQ-SFHVURJKSA-N 2 0 330.488 3.433 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001115806363 1370789949 /nfs/dbraw/zinc/78/99/49/1370789949.db2.gz VFJKCSLPVOLILE-QRVBRYPASA-N 2 0 349.563 3.173 20 0 EGADRP Fc1cc(-c2ccc(N3CC[NH2+]CC3)cc2)ccc1[C@H]1CCC[NH2+]1 ZINC001205583329 1370800519 /nfs/dbraw/zinc/80/05/19/1370800519.db2.gz WULZTHZSRRVQFL-HXUWFJFHSA-N 2 0 325.431 3.327 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205627170 1370816305 /nfs/dbraw/zinc/81/63/05/1370816305.db2.gz NKIKXKIWQRJQSM-OLZOCXBDSA-N 2 0 346.393 3.401 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC)cc1Cl ZINC001205638624 1370822845 /nfs/dbraw/zinc/82/28/45/1370822845.db2.gz QDIDOCULARNJFC-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205653279 1370828286 /nfs/dbraw/zinc/82/82/86/1370828286.db2.gz SKIFXXRGRAMDLT-LSDHHAIUSA-N 2 0 332.879 3.333 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC001205652213 1370828625 /nfs/dbraw/zinc/82/86/25/1370828625.db2.gz OMVQLXGSARIXOU-XLIONFOSSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205653359 1370828944 /nfs/dbraw/zinc/82/89/44/1370828944.db2.gz SWFAXTVRVSPZBK-RYUDHWBXSA-N 2 0 332.366 3.098 20 0 EGADRP COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC001205677709 1370839506 /nfs/dbraw/zinc/83/95/06/1370839506.db2.gz GNFSMKCJFDULEM-UHFFFAOYSA-N 2 0 340.467 3.475 20 0 EGADRP CC[C@H](C)C[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205769461 1370865066 /nfs/dbraw/zinc/86/50/66/1370865066.db2.gz YUQHFYWUXFWSKU-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP COc1cc(CN2CCC(F)(F)[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205780657 1370867474 /nfs/dbraw/zinc/86/74/74/1370867474.db2.gz ROIOTPZIKMCCAE-LLVKDONJSA-N 2 0 338.320 3.130 20 0 EGADRP Cc1cc(OC(F)(F)F)ccc1CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205781293 1370867930 /nfs/dbraw/zinc/86/79/30/1370867930.db2.gz VUGPNGGINGGBFG-GFCCVEGCSA-N 2 0 338.320 3.310 20 0 EGADRP CN(C)c1ccc2cc(CN3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2c1 ZINC001205781410 1370868049 /nfs/dbraw/zinc/86/80/49/1370868049.db2.gz WXBPNIVFRRYCGK-KRWDZBQOSA-N 2 0 333.426 3.322 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205853807 1370893096 /nfs/dbraw/zinc/89/30/96/1370893096.db2.gz OLRWIZTXCOMMDY-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001205923293 1370912244 /nfs/dbraw/zinc/91/22/44/1370912244.db2.gz MDGIZDYAYCWMMN-WDEREUQCSA-N 2 0 326.366 3.141 20 0 EGADRP C[C@H]1C[N@H+](CCc2ccccc2Br)CCC[C@H]1C[NH3+] ZINC001205981903 1370929237 /nfs/dbraw/zinc/92/92/37/1370929237.db2.gz IVGQUNQKLFZKIM-ZFWWWQNUSA-N 2 0 325.294 3.298 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205991665 1370932384 /nfs/dbraw/zinc/93/23/84/1370932384.db2.gz BIJULQNBNRCISF-JXFKEZNVSA-N 2 0 340.515 3.355 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205991671 1370932470 /nfs/dbraw/zinc/93/24/70/1370932470.db2.gz BIJULQNBNRCISF-OXJNMPFZSA-N 2 0 340.515 3.355 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206012822 1370937737 /nfs/dbraw/zinc/93/77/37/1370937737.db2.gz ODGLXNSLSJKGAX-GJZGRUSLSA-N 2 0 332.879 3.333 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206023290 1370941484 /nfs/dbraw/zinc/94/14/84/1370941484.db2.gz FQHWXUYVOPGSGS-KBPBESRZSA-N 2 0 338.879 3.324 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001206026290 1370941985 /nfs/dbraw/zinc/94/19/85/1370941985.db2.gz RHVWLWOMNXTATO-HOTGVXAUSA-N 2 0 331.504 3.478 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@@H]1C ZINC001206110308 1370962195 /nfs/dbraw/zinc/96/21/95/1370962195.db2.gz SUIUJVCXYKLJKP-CVEARBPZSA-N 2 0 341.503 3.064 20 0 EGADRP COC(=O)c1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001116880627 1370994258 /nfs/dbraw/zinc/99/42/58/1370994258.db2.gz MOGRQLIGJOTCPS-IAGOWNOFSA-N 2 0 332.488 3.321 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+]CCCCCF)CC1)[NH+](CC)CC ZINC001206245638 1371003272 /nfs/dbraw/zinc/00/32/72/1371003272.db2.gz JPLBRCSKPPDWCP-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3cccc(N)c3)CC2)c2ccccc2[nH+]1 ZINC001206285267 1371013431 /nfs/dbraw/zinc/01/34/31/1371013431.db2.gz KOYVTCBRPBDYRE-UHFFFAOYSA-N 2 0 332.451 3.448 20 0 EGADRP COc1ccc(-c2c(C[N@@H+]3CCC[C@](C)(C[NH3+])CC3)cnn2C)cc1 ZINC001206317254 1371019699 /nfs/dbraw/zinc/01/96/99/1371019699.db2.gz DNZHJNXQRZBANB-FQEVSTJZSA-N 2 0 342.487 3.047 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481811 1371068823 /nfs/dbraw/zinc/06/88/23/1371068823.db2.gz MMDQGWWBBPNAIZ-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP [NH3+]CCC1CC[NH+](CCCc2ccccc2Br)CC1 ZINC001206500212 1371075219 /nfs/dbraw/zinc/07/52/19/1371075219.db2.gz IDGGFXBJUBBIPE-UHFFFAOYSA-N 2 0 325.294 3.443 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206649847 1371119775 /nfs/dbraw/zinc/11/97/75/1371119775.db2.gz ZXOKIBCWJNFYTA-MRXNPFEDSA-N 2 0 325.456 3.318 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206684425 1371133276 /nfs/dbraw/zinc/13/32/76/1371133276.db2.gz ZJJSSGGTMMIEGK-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118243714 1371153190 /nfs/dbraw/zinc/15/31/90/1371153190.db2.gz ZHVHHCAJOPSOFO-UHFFFAOYSA-N 2 0 328.435 3.181 20 0 EGADRP CCOC(=O)CCCCCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206750234 1371153233 /nfs/dbraw/zinc/15/32/33/1371153233.db2.gz WRBTZXRNHGYSHK-UHFFFAOYSA-N 2 0 346.515 3.493 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cn1 ZINC001206755073 1371154605 /nfs/dbraw/zinc/15/46/05/1371154605.db2.gz AIGLWVDQXUNQOD-UHFFFAOYSA-N 2 0 339.483 3.361 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001206780358 1371163575 /nfs/dbraw/zinc/16/35/75/1371163575.db2.gz WZSPTGPVDIJNHD-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797122 1371171189 /nfs/dbraw/zinc/17/11/89/1371171189.db2.gz UPXRNXIYRRMICD-VQTJNVASSA-N 2 0 338.499 3.073 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001118386539 1371171552 /nfs/dbraw/zinc/17/15/52/1371171552.db2.gz DKZBMABZRBVTKA-NRFANRHFSA-N 2 0 343.515 3.338 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952449 1371243756 /nfs/dbraw/zinc/24/37/56/1371243756.db2.gz OZGGOUNJRCDNBU-XJDXJNMNSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1ncsc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001206989204 1371260130 /nfs/dbraw/zinc/26/01/30/1371260130.db2.gz WTLXNQYRETXADY-UHFFFAOYSA-N 2 0 342.512 3.335 20 0 EGADRP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001119090630 1371275363 /nfs/dbraw/zinc/27/53/63/1371275363.db2.gz IGMXVZXZUAMIDM-BEFAXECRSA-N 2 0 339.483 3.294 20 0 EGADRP CCN1CCO[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185542 1371323048 /nfs/dbraw/zinc/32/30/48/1371323048.db2.gz JOXCEOIGGOTGOU-PBWTXFEYSA-N 2 0 334.891 3.096 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(C)CC1 ZINC001207194284 1371325821 /nfs/dbraw/zinc/32/58/21/1371325821.db2.gz RVSMKLMPJCKSRU-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207314183 1371358463 /nfs/dbraw/zinc/35/84/63/1371358463.db2.gz UJLGRXBCSVCIGZ-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CC1 ZINC001207395581 1371383762 /nfs/dbraw/zinc/38/37/62/1371383762.db2.gz WELHAJLZAKGEGK-CGTJXYLNSA-N 2 0 347.528 3.124 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001207399201 1371384093 /nfs/dbraw/zinc/38/40/93/1371384093.db2.gz HTOKQAUWPFQMLJ-KSZLIROESA-N 2 0 336.520 3.303 20 0 EGADRP CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207401525 1371386183 /nfs/dbraw/zinc/38/61/83/1371386183.db2.gz ORIBNYPRNNJWTL-VQTJNVASSA-N 2 0 344.499 3.487 20 0 EGADRP c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC001207436973 1371395416 /nfs/dbraw/zinc/39/54/16/1371395416.db2.gz MVDRFEQURZTXAL-LEWJYISDSA-N 2 0 328.500 3.098 20 0 EGADRP FC1(F)CC[N@H+](CC2CC[NH2+]CC2)C[C@]12CCN(c1ccccc1)C2 ZINC001207435872 1371395466 /nfs/dbraw/zinc/39/54/66/1371395466.db2.gz ZAGVZWWBURICFN-IBGZPJMESA-N 2 0 349.469 3.224 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001207487211 1371410918 /nfs/dbraw/zinc/41/09/18/1371410918.db2.gz STWXBPKIXXTWQC-BZSNNMDCSA-N 2 0 336.520 3.161 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC(n3ncc4ccccc43)CC2)CC1 ZINC001207487229 1371411201 /nfs/dbraw/zinc/41/12/01/1371411201.db2.gz UNORXELFWGCGBJ-UHFFFAOYSA-N 2 0 326.488 3.405 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001207488348 1371412125 /nfs/dbraw/zinc/41/21/25/1371412125.db2.gz ISMPRWWHMVTZQL-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP C[N@H+](CCc1ccccc1Br)CC1CC[NH+](C)CC1 ZINC001207530476 1371426529 /nfs/dbraw/zinc/42/65/29/1371426529.db2.gz DRWBJWBIQVCMPK-UHFFFAOYSA-N 2 0 325.294 3.265 20 0 EGADRP CC[N@H+]([C@@H]1CCOC1)C1CCN(CCCc2cccc(OC)c2)CC1 ZINC001207572837 1371439386 /nfs/dbraw/zinc/43/93/86/1371439386.db2.gz LWRYWOSOLGRRJR-HXUWFJFHSA-N 2 0 346.515 3.203 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)C[C@@H]2C1 ZINC001119988983 1371443822 /nfs/dbraw/zinc/44/38/22/1371443822.db2.gz MOWFPISXZTUUCL-HRCADAONSA-N 2 0 330.501 3.096 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]2C1 ZINC001119990949 1371445049 /nfs/dbraw/zinc/44/50/49/1371445049.db2.gz ZZNUZMJLCRXHHL-SOLBZPMBSA-N 2 0 325.456 3.103 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001120005195 1371451264 /nfs/dbraw/zinc/45/12/64/1371451264.db2.gz MDWZFUACLCAGHI-RTBURBONSA-N 2 0 349.563 3.482 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617757 1371453154 /nfs/dbraw/zinc/45/31/54/1371453154.db2.gz YTQFRKDLMOXVLD-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120190639 1371502966 /nfs/dbraw/zinc/50/29/66/1371502966.db2.gz XGHFXOYZNTYZPL-QZTJIDSGSA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001120207798 1371504235 /nfs/dbraw/zinc/50/42/35/1371504235.db2.gz GHRFIJMLLNEBAW-SJORKVTESA-N 2 0 341.515 3.018 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391848 1371559457 /nfs/dbraw/zinc/55/94/57/1371559457.db2.gz HWXMVRBSWZHZHW-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001120421769 1371569116 /nfs/dbraw/zinc/56/91/16/1371569116.db2.gz CXBPEMORNBGGJY-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208015057 1371569326 /nfs/dbraw/zinc/56/93/26/1371569326.db2.gz XBARVMGCEFTKAP-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439648 1371577744 /nfs/dbraw/zinc/57/77/44/1371577744.db2.gz HTFIDKVQGPWXML-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049698 1371580286 /nfs/dbraw/zinc/58/02/86/1371580286.db2.gz QABIOFVYJZWPTK-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001208105602 1371596864 /nfs/dbraw/zinc/59/68/64/1371596864.db2.gz ABYKSXUYQCAMMW-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208109910 1371597365 /nfs/dbraw/zinc/59/73/65/1371597365.db2.gz OVWHELCBROYVJP-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208114061 1371600071 /nfs/dbraw/zinc/60/00/71/1371600071.db2.gz QTKVBUINFDFYHL-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129365 1371603797 /nfs/dbraw/zinc/60/37/97/1371603797.db2.gz UJKIQYHGKKVEOS-WYTZPYIFSA-N 2 0 349.563 3.434 20 0 EGADRP CC1=C[C@H](C)[C@H](C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001208166759 1371615531 /nfs/dbraw/zinc/61/55/31/1371615531.db2.gz BZSBOBCRSXPUOU-OALUTQOASA-N 2 0 342.531 3.329 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208279089 1371696551 /nfs/dbraw/zinc/69/65/51/1371696551.db2.gz HLRXUDCYWIQQMS-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411630 1371758795 /nfs/dbraw/zinc/75/87/95/1371758795.db2.gz ZIAKDBJDZBXFHY-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208474733 1371781313 /nfs/dbraw/zinc/78/13/13/1371781313.db2.gz OXNITVMSEHHNHP-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208474470 1371781444 /nfs/dbraw/zinc/78/14/44/1371781444.db2.gz LSSDINOXQJDXNQ-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208589945 1371829407 /nfs/dbraw/zinc/82/94/07/1371829407.db2.gz AVAYRMAGKKSHFC-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP CN(CCC[NH+]1CCCC1)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208588674 1371830326 /nfs/dbraw/zinc/83/03/26/1371830326.db2.gz KFNRTVMHXDFTEQ-NRFANRHFSA-N 2 0 329.532 3.459 20 0 EGADRP C[N@H+](C1CC1)[C@H]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590815 1371830969 /nfs/dbraw/zinc/83/09/69/1371830969.db2.gz GKNCLOQYTHOJGD-LEWJYISDSA-N 2 0 327.516 3.210 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001208601385 1371836123 /nfs/dbraw/zinc/83/61/23/1371836123.db2.gz MYHVJVGNVOCDAU-HOTGVXAUSA-N 2 0 339.524 3.048 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001208603018 1371837294 /nfs/dbraw/zinc/83/72/94/1371837294.db2.gz RSCHTONHFYXZEE-NRFANRHFSA-N 2 0 342.483 3.060 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001208604341 1371837477 /nfs/dbraw/zinc/83/74/77/1371837477.db2.gz MHHLUWZSDARRBK-IBGZPJMESA-N 2 0 330.472 3.342 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605488 1371838679 /nfs/dbraw/zinc/83/86/79/1371838679.db2.gz AQUPNCFTIFXUJQ-MQGJPIDWSA-N 2 0 341.543 3.439 20 0 EGADRP COc1cc(C)ccc1OC1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208614304 1371841684 /nfs/dbraw/zinc/84/16/84/1371841684.db2.gz CEOCSXHPBKDBKR-QGZVFWFLSA-N 2 0 332.488 3.189 20 0 EGADRP C[N@H+](Cc1cccc(F)c1)C1CCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208615095 1371841839 /nfs/dbraw/zinc/84/18/39/1371841839.db2.gz GKAKRWCQZLXTOH-GOSISDBHSA-N 2 0 333.495 3.064 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001208617245 1371844052 /nfs/dbraw/zinc/84/40/52/1371844052.db2.gz OAXKXMTZIMCHKD-SGCGGLILSA-N 2 0 343.559 3.223 20 0 EGADRP C[C@@H](CC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1)CC(C)(C)C ZINC001208660349 1371854588 /nfs/dbraw/zinc/85/45/88/1371854588.db2.gz OUXMQSCSSVDSPP-RDGPPVDQSA-N 2 0 347.551 3.135 20 0 EGADRP C[NH+]1CCC(CN2CC[NH+](CCC(C)(C)c3ccccc3)CC2)CC1 ZINC001208668953 1371857127 /nfs/dbraw/zinc/85/71/27/1371857127.db2.gz DKZPLRGSRMAPFJ-UHFFFAOYSA-N 2 0 343.559 3.314 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677247 1371857845 /nfs/dbraw/zinc/85/78/45/1371857845.db2.gz YCGTWGDRDODTDH-ZHALLVOQSA-N 2 0 345.531 3.162 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001208748536 1371882708 /nfs/dbraw/zinc/88/27/08/1371882708.db2.gz KPMLZVNOJYNNEN-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121193818 1371885344 /nfs/dbraw/zinc/88/53/44/1371885344.db2.gz JEUUIJHETNNLNS-IKQKDXEZSA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208770460 1371890590 /nfs/dbraw/zinc/89/05/90/1371890590.db2.gz SFDJKMSARGRLII-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CC[C@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001208783096 1371894508 /nfs/dbraw/zinc/89/45/08/1371894508.db2.gz OKQVGFSNDDDRLB-QGZVFWFLSA-N 2 0 336.520 3.306 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121234033 1371902851 /nfs/dbraw/zinc/90/28/51/1371902851.db2.gz VZEATXLHNRNMGB-QAELIBMJSA-N 2 0 335.536 3.066 20 0 EGADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2)[NH+](C)C ZINC001121301804 1371928671 /nfs/dbraw/zinc/92/86/71/1371928671.db2.gz CAODFEYOFWFKCQ-MBEFBZSESA-N 2 0 349.563 3.314 20 0 EGADRP CCC[NH+]1C[C@H]2C[NH+](CC3CCN(c4ccccc4)CC3)C[C@@H]2C1 ZINC001208910678 1371940674 /nfs/dbraw/zinc/94/06/74/1371940674.db2.gz IZEXCTAPUCBLAX-PMACEKPBSA-N 2 0 327.516 3.177 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@]1(C)O ZINC001208932873 1371951689 /nfs/dbraw/zinc/95/16/89/1371951689.db2.gz RSMGADHWMMCSMU-HLAWJBBLSA-N 2 0 330.516 3.382 20 0 EGADRP CCOC(=O)C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943222 1371957567 /nfs/dbraw/zinc/95/75/67/1371957567.db2.gz SCYAFGDSNXAORB-PMACEKPBSA-N 2 0 344.499 3.174 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCC(c4ncccn4)CC3)C2)cc1 ZINC001208947218 1371958021 /nfs/dbraw/zinc/95/80/21/1371958021.db2.gz AAGHISSTLCMMTB-IBGZPJMESA-N 2 0 336.483 3.178 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142615 1372013549 /nfs/dbraw/zinc/01/35/49/1372013549.db2.gz SUTKJLPNVLKNCS-QRVBRYPASA-N 2 0 337.552 3.122 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ccnc2C(C)C)C1 ZINC001209159254 1372018972 /nfs/dbraw/zinc/01/89/72/1372018972.db2.gz ZFAXWYGIAVNWRF-XXCOWLKOSA-N 2 0 346.519 3.189 20 0 EGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(CCCc1cccnc1)[C@H]2C ZINC001209173701 1372025058 /nfs/dbraw/zinc/02/50/58/1372025058.db2.gz GZMJYYFYNOEXLR-KRWDZBQOSA-N 2 0 341.503 3.128 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](CCCc2ccncc2)CC1 ZINC001209189790 1372032731 /nfs/dbraw/zinc/03/27/31/1372032731.db2.gz VFQDYTSCOKINPS-UHFFFAOYSA-N 2 0 346.563 3.144 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121728152 1372061205 /nfs/dbraw/zinc/06/12/05/1372061205.db2.gz OHDVPVNXAVIAHF-YGNBQWEYSA-N 2 0 349.563 3.336 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761491 1372072917 /nfs/dbraw/zinc/07/29/17/1372072917.db2.gz MLOCQMCDLZRPOQ-ZDFHQLSBSA-N 2 0 349.563 3.480 20 0 EGADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4C[C@@H]4C)CC3)C2)cc1 ZINC001209411597 1372098481 /nfs/dbraw/zinc/09/84/81/1372098481.db2.gz CTVIIQXSKVFCAI-AZUAARDMSA-N 2 0 328.500 3.318 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@H]32)cc1 ZINC001209449027 1372109099 /nfs/dbraw/zinc/10/90/99/1372109099.db2.gz QAJGIGPBGHUKTG-NHCUHLMSSA-N 2 0 327.516 3.069 20 0 EGADRP CCCN1Cc2cccc(NC(=O)c3coc([C@@H]4CCC[NH2+]4)n3)c2C1 ZINC001121915550 1372121783 /nfs/dbraw/zinc/12/17/83/1372121783.db2.gz GXRVNNDAWLNPQZ-INIZCTEOSA-N 2 0 340.427 3.077 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2 ZINC001121935108 1372127167 /nfs/dbraw/zinc/12/71/67/1372127167.db2.gz HKMNKSQWMSLCAP-UHFFFAOYSA-N 2 0 347.547 3.236 20 0 EGADRP C[NH2+]C1(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CCC1 ZINC001122050797 1372162248 /nfs/dbraw/zinc/16/22/48/1372162248.db2.gz VXUBVFBKOWBBFK-UHFFFAOYSA-N 2 0 329.488 3.042 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122063803 1372166219 /nfs/dbraw/zinc/16/62/19/1372166219.db2.gz OEUZWLVGOLFBIB-SGPNKGFISA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122063938 1372166407 /nfs/dbraw/zinc/16/64/07/1372166407.db2.gz PNQGLDFGKONITP-RBUNFDSBSA-N 2 0 347.547 3.090 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001122231369 1372206947 /nfs/dbraw/zinc/20/69/47/1372206947.db2.gz IRUNMZNBOLLJSU-NVNACKGYSA-N 2 0 349.563 3.312 20 0 EGADRP CCCOc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001209864451 1372216891 /nfs/dbraw/zinc/21/68/91/1372216891.db2.gz APXWMUYZDQHKKL-UHFFFAOYSA-N 2 0 326.444 3.366 20 0 EGADRP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001122284671 1372221055 /nfs/dbraw/zinc/22/10/55/1372221055.db2.gz AOASTPBJYZSTLT-GGQJKKPXSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)C(C)C ZINC001210189896 1372291049 /nfs/dbraw/zinc/29/10/49/1372291049.db2.gz OIFJPTZQOLUBJZ-VQTJNVASSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190599 1372291561 /nfs/dbraw/zinc/29/15/61/1372291561.db2.gz WSXAOMJUYQIXSB-AMQGLKLZSA-N 2 0 337.552 3.290 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001210243114 1372302992 /nfs/dbraw/zinc/30/29/92/1372302992.db2.gz FVJARXRUJMQMCZ-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP Oc1cc(Cl)c(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210268810 1372311039 /nfs/dbraw/zinc/31/10/39/1372311039.db2.gz IOJZSECZBTWSTE-UHFFFAOYSA-N 2 0 339.226 3.247 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584395 1372384693 /nfs/dbraw/zinc/38/46/93/1372384693.db2.gz GYEHLVUONYAFLG-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643783 1372398679 /nfs/dbraw/zinc/39/86/79/1372398679.db2.gz LEUYGAXEKIIKBC-PMACEKPBSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001210782290 1372425096 /nfs/dbraw/zinc/42/50/96/1372425096.db2.gz KIFLUKBSFHNDOV-RTBURBONSA-N 2 0 345.531 3.369 20 0 EGADRP CC1CCC(C[NH2+][C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001211241338 1372509670 /nfs/dbraw/zinc/50/96/70/1372509670.db2.gz SNYINHHFOIAUNR-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001211241357 1372509859 /nfs/dbraw/zinc/50/98/59/1372509859.db2.gz SWICDDBSVFMNCE-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001211257584 1372514150 /nfs/dbraw/zinc/51/41/50/1372514150.db2.gz UASWCXUWTSBIKM-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211261880 1372514684 /nfs/dbraw/zinc/51/46/84/1372514684.db2.gz FIPHGKMIPPSNLU-KJYWSYJISA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309357 1372526397 /nfs/dbraw/zinc/52/63/97/1372526397.db2.gz BFQSYMCGRVVEEX-CQQBRXBZSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374526 1372543412 /nfs/dbraw/zinc/54/34/12/1372543412.db2.gz HLNZFARGLLQOAZ-GUDVDZBRSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374918 1372543598 /nfs/dbraw/zinc/54/35/98/1372543598.db2.gz SUERNWKSEGIJGO-RLLQIKCJSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001326482372 1388211032 /nfs/dbraw/zinc/21/10/32/1388211032.db2.gz WPLAIGIXWOAPLR-INIZCTEOSA-N 2 0 343.515 3.095 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001124039894 1372663080 /nfs/dbraw/zinc/66/30/80/1372663080.db2.gz IMBFOOUBRNAKTE-UHFFFAOYSA-N 2 0 346.519 3.069 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214634139 1373092711 /nfs/dbraw/zinc/09/27/11/1373092711.db2.gz COIPXPQSSLRNTJ-IKSUFZCESA-N 2 0 335.536 3.044 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001127327667 1373115970 /nfs/dbraw/zinc/11/59/70/1373115970.db2.gz TZLPAXJCBMFDIK-GOSISDBHSA-N 2 0 345.531 3.335 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001127327164 1373116256 /nfs/dbraw/zinc/11/62/56/1373116256.db2.gz HLIIUBCHVTXRJJ-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890268 1373136535 /nfs/dbraw/zinc/13/65/35/1373136535.db2.gz UVRZGWVDJIYTCT-QRTFGMIHSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001215020049 1373157985 /nfs/dbraw/zinc/15/79/85/1373157985.db2.gz MDASDBUXGVNIJU-SJLPKXTDSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234310 1373189805 /nfs/dbraw/zinc/18/98/05/1373189805.db2.gz ONFVILNKNJULSF-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(n2cc(Nc3c[nH+]cn3Cc3ccccc3)cn2)CC1 ZINC001216549742 1373316113 /nfs/dbraw/zinc/31/61/13/1373316113.db2.gz RUIWTKCMBZOINH-UHFFFAOYSA-N 2 0 336.443 3.138 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC001129423051 1373382165 /nfs/dbraw/zinc/38/21/65/1373382165.db2.gz OTYJDDNGOFMBHO-MOPGFXCFSA-N 2 0 349.494 3.246 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001129421769 1373382398 /nfs/dbraw/zinc/38/23/98/1373382398.db2.gz BSPCHWHXWDKPCC-OALUTQOASA-N 2 0 345.531 3.333 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429912 1373383058 /nfs/dbraw/zinc/38/30/58/1373383058.db2.gz MQAMNWWFBXJFIW-FXAWDEMLSA-N 2 0 343.515 3.169 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001129855966 1373429681 /nfs/dbraw/zinc/42/96/81/1373429681.db2.gz KTZLUDJTMJHPND-IBGZPJMESA-N 2 0 345.531 3.064 20 0 EGADRP C[C@@H]1C[C@@H](OC[C@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)CC[NH2+]1 ZINC001217791731 1373500303 /nfs/dbraw/zinc/50/03/03/1373500303.db2.gz PEWHSWYSEMYKAW-LMNJBCLMSA-N 2 0 346.515 3.213 20 0 EGADRP CC1(C)[NH2+][C@@H](CO[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC001217847164 1373506810 /nfs/dbraw/zinc/50/68/10/1373506810.db2.gz DSJQITVKHGEAID-ZWKOTPCHSA-N 2 0 332.488 3.028 20 0 EGADRP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CCCC[NH2+]C4)cc32)CC1 ZINC001217971284 1373521725 /nfs/dbraw/zinc/52/17/25/1373521725.db2.gz UKIQFISDEXNJDN-KRWDZBQOSA-N 2 0 327.472 3.498 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001130708784 1373583127 /nfs/dbraw/zinc/58/31/27/1373583127.db2.gz HVOKAXNFPIQPEF-AZUAARDMSA-N 2 0 345.531 3.191 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001130713145 1373583677 /nfs/dbraw/zinc/58/36/77/1373583677.db2.gz DIWWLRMOUUEVHR-FQEVSTJZSA-N 2 0 345.531 3.136 20 0 EGADRP [NH3+]CCc1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC001218341206 1373600716 /nfs/dbraw/zinc/60/07/16/1373600716.db2.gz JRBHRBWTNBIRHL-XVAYZXCPSA-N 2 0 336.479 3.477 20 0 EGADRP C[C@@H]1[NH2+]C[C@H]1Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC001218385362 1373604340 /nfs/dbraw/zinc/60/43/40/1373604340.db2.gz HJNHOHDYIMWNOY-RXLLHPONSA-N 2 0 326.484 3.114 20 0 EGADRP CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001218896865 1373665046 /nfs/dbraw/zinc/66/50/46/1373665046.db2.gz BGVYHHXAEMJOFA-HNNXBMFYSA-N 2 0 329.488 3.031 20 0 EGADRP O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218946740 1373669717 /nfs/dbraw/zinc/66/97/17/1373669717.db2.gz ASMPQDINASQLNA-HXUWFJFHSA-N 2 0 349.478 3.090 20 0 EGADRP CC(C)c1ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001219268415 1373698080 /nfs/dbraw/zinc/69/80/80/1373698080.db2.gz JVKPZDVDIVQOJY-HNNXBMFYSA-N 2 0 343.393 3.094 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001219347934 1373702834 /nfs/dbraw/zinc/70/28/34/1373702834.db2.gz WPXTWCUPWJOECD-UHFFFAOYSA-N 2 0 337.467 3.386 20 0 EGADRP N[C@@H](C[NH3+])c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1 ZINC001219950162 1373741304 /nfs/dbraw/zinc/74/13/04/1373741304.db2.gz KSWQOXXDVUACFC-GQOXECLESA-N 2 0 337.467 3.101 20 0 EGADRP CCCCCOc1ccc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001222207680 1373821026 /nfs/dbraw/zinc/82/10/26/1373821026.db2.gz CGSGEMGPPXGUTM-UHFFFAOYSA-N 2 0 332.488 3.210 20 0 EGADRP Cc1cc(C)c(C[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)c(C)c1 ZINC001131828196 1373826651 /nfs/dbraw/zinc/82/66/51/1373826651.db2.gz HJYUXFDJTOHXEH-UHFFFAOYSA-N 2 0 345.531 3.082 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CCC[C@@]4(CCCC[NH2+]4)C3)C2)cc1 ZINC001222385759 1373831483 /nfs/dbraw/zinc/83/14/83/1373831483.db2.gz VZIWRBJHZRXZPO-SFTDATJTSA-N 2 0 327.516 3.117 20 0 EGADRP CCCCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224795475 1375077585 /nfs/dbraw/zinc/07/75/85/1375077585.db2.gz IKFCVKXDQVUDBO-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CCC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557602 1375124783 /nfs/dbraw/zinc/12/47/83/1375124783.db2.gz OEWRRSOYMPUIOP-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001225577831 1375126751 /nfs/dbraw/zinc/12/67/51/1375126751.db2.gz KSPJTNOCPUUVSU-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C[N@@H+]1CCCCCF ZINC001132132427 1375162836 /nfs/dbraw/zinc/16/28/36/1375162836.db2.gz QVEKBSQGOHQYOU-GDBMZVCRSA-N 2 0 346.450 3.285 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132153137 1375173432 /nfs/dbraw/zinc/17/34/32/1375173432.db2.gz NRIJMKALRWNPOF-NVXWUHKLSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CC1CCCCCC1 ZINC001132265566 1375254611 /nfs/dbraw/zinc/25/46/11/1375254611.db2.gz OQEQYFJAVMHTDK-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCCC1CCCC1 ZINC001132265827 1375255397 /nfs/dbraw/zinc/25/53/97/1375255397.db2.gz TYBKAMFMTMHOCE-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)CCC1 ZINC001226792943 1375336355 /nfs/dbraw/zinc/33/63/55/1375336355.db2.gz WLBCTVZXCUDMIQ-RTBURBONSA-N 2 0 347.547 3.378 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132376726 1375338120 /nfs/dbraw/zinc/33/81/20/1375338120.db2.gz PUKHENZMYFKYLN-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001226891878 1375353818 /nfs/dbraw/zinc/35/38/18/1375353818.db2.gz WAGYQGMGLZFCIY-IPMKNSEASA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132409557 1375358288 /nfs/dbraw/zinc/35/82/88/1375358288.db2.gz AWFRNRFGEDKZPA-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132411030 1375359975 /nfs/dbraw/zinc/35/99/75/1375359975.db2.gz RYBPQUUUVPOCMN-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517293 1375436363 /nfs/dbraw/zinc/43/63/63/1375436363.db2.gz AOZAUQOSSIAMIL-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@@H+]1CCC1CCCC1 ZINC001132524349 1375440240 /nfs/dbraw/zinc/44/02/40/1375440240.db2.gz GFFOENONXDZFIU-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227792263 1375474687 /nfs/dbraw/zinc/47/46/87/1375474687.db2.gz MNMYLZBBAPPGMD-OVKVCFKUSA-N 2 0 349.563 3.291 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001227875816 1375485060 /nfs/dbraw/zinc/48/50/60/1375485060.db2.gz ABAXGDLYGVCDPN-HXUWFJFHSA-N 2 0 347.547 3.332 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001228355496 1375555435 /nfs/dbraw/zinc/55/54/35/1375555435.db2.gz PWIKYQKNDAIGFO-QXAKKESOSA-N 2 0 331.504 3.025 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001228355206 1375555969 /nfs/dbraw/zinc/55/59/69/1375555969.db2.gz IHRGSTVHPZZMFD-MISYRCLQSA-N 2 0 345.531 3.333 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132823253 1375583848 /nfs/dbraw/zinc/58/38/48/1375583848.db2.gz BTCULEYOSOMPAB-MOPGFXCFSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559344 1375598584 /nfs/dbraw/zinc/59/85/84/1375598584.db2.gz PIKGLRMUANTUEZ-FMABSTRRSA-N 2 0 337.552 3.480 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001132889157 1375627878 /nfs/dbraw/zinc/62/78/78/1375627878.db2.gz XKOMLSDRKQTSQX-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)c2occc2C[NH+](C)C)c1 ZINC001132985746 1375695178 /nfs/dbraw/zinc/69/51/78/1375695178.db2.gz QARAMQRJSRLLJP-INIZCTEOSA-N 2 0 343.471 3.039 20 0 EGADRP CC[C@@H](c1cccc(OCC[N@@H+]2CC[C@@H](OC)C2)c1)[C@@H](C)C[NH+](C)C ZINC001228896657 1375708186 /nfs/dbraw/zinc/70/81/86/1375708186.db2.gz BOGCULRLSVORMT-IOMROCGXSA-N 2 0 348.531 3.477 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133012303 1375710365 /nfs/dbraw/zinc/71/03/65/1375710365.db2.gz QSUNDNARQPXDMS-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133120803 1375786253 /nfs/dbraw/zinc/78/62/53/1375786253.db2.gz BGROQGJPXMLWIJ-ZWKOTPCHSA-N 2 0 337.552 3.005 20 0 EGADRP CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001133238192 1375859863 /nfs/dbraw/zinc/85/98/63/1375859863.db2.gz QETDNAAOXHDYLW-RTBURBONSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001133237851 1375860050 /nfs/dbraw/zinc/86/00/50/1375860050.db2.gz KINQAOXWQSGEIU-RBUKOAKNSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133262004 1375876847 /nfs/dbraw/zinc/87/68/47/1375876847.db2.gz FIBGKJNGGJCKOU-RBUKOAKNSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001133263232 1375879145 /nfs/dbraw/zinc/87/91/45/1375879145.db2.gz REAXBWKWJQUYQT-RTBURBONSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(CC)CC ZINC001229853290 1375904444 /nfs/dbraw/zinc/90/44/44/1375904444.db2.gz QQASTNXDKQCVSY-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133337431 1375930911 /nfs/dbraw/zinc/93/09/11/1375930911.db2.gz NPDFSTJWASCHLY-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001230036087 1375933703 /nfs/dbraw/zinc/93/37/03/1375933703.db2.gz ZTSZYFJWEZHJSA-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133347209 1375935625 /nfs/dbraw/zinc/93/56/25/1375935625.db2.gz UVLBTVAUCDZIPY-MSOLQXFVSA-N 2 0 339.568 3.227 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001230107669 1375944706 /nfs/dbraw/zinc/94/47/06/1375944706.db2.gz SDLJBKIYAAMRHI-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230288114 1375986470 /nfs/dbraw/zinc/98/64/70/1375986470.db2.gz KOGVALIOOYBMFO-UHFFFAOYSA-N 2 0 337.552 3.413 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592177 1376089532 /nfs/dbraw/zinc/08/95/32/1376089532.db2.gz UFDWAYRKEJYTFE-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591956 1376090769 /nfs/dbraw/zinc/09/07/69/1376090769.db2.gz NRIQNZBNBZDNAT-YJJPMGAVSA-N 2 0 349.563 3.388 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001230611160 1376100234 /nfs/dbraw/zinc/10/02/34/1376100234.db2.gz OBCLCLXWNPZLCM-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC)CC1 ZINC001230611365 1376101254 /nfs/dbraw/zinc/10/12/54/1376101254.db2.gz RLUCHKRXSXZEQE-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611725 1376102185 /nfs/dbraw/zinc/10/21/85/1376102185.db2.gz YZDYPGYMELXHJA-IEBWSBKVSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1Cl ZINC001133918470 1376263919 /nfs/dbraw/zinc/26/39/19/1376263919.db2.gz VCECFYLLBPCKGF-CQSZACIVSA-N 2 0 339.911 3.085 20 0 EGADRP O=C(C1CCCCC1)N1CCCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232017785 1376386378 /nfs/dbraw/zinc/38/63/78/1376386378.db2.gz XEVFOHRWZACRGA-UHFFFAOYSA-N 2 0 340.471 3.178 20 0 EGADRP C[NH+](C)CCN(Cc1ccccc1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145609 1376409292 /nfs/dbraw/zinc/40/92/92/1376409292.db2.gz VZZYGIAZVPXGAC-UHFFFAOYSA-N 2 0 343.490 3.451 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1 ZINC001134369530 1376497332 /nfs/dbraw/zinc/49/73/32/1376497332.db2.gz NRJLXXVDXPVVFF-MSOLQXFVSA-N 2 0 345.531 3.324 20 0 EGADRP Cc1nc(C[N@@H+](C(C)C)C2CCN(C)CC2)ccc1Br ZINC001232670612 1376497414 /nfs/dbraw/zinc/49/74/14/1376497414.db2.gz IVTNKEXCPJAZNM-UHFFFAOYSA-N 2 0 340.309 3.457 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C[C@@H]2C1 ZINC001232883925 1376531185 /nfs/dbraw/zinc/53/11/85/1376531185.db2.gz BDUPMFMXVVAMEA-MSOLQXFVSA-N 2 0 325.431 3.271 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(O)c(OCC4CC4)c3)C2)CC1 ZINC001233230279 1376594821 /nfs/dbraw/zinc/59/48/21/1376594821.db2.gz XZXLPOWSUGFSND-UHFFFAOYSA-N 2 0 330.472 3.099 20 0 EGADRP CCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001134608031 1376622493 /nfs/dbraw/zinc/62/24/93/1376622493.db2.gz PRTYWHUNLDZRKD-DLBZAZTESA-N 2 0 345.531 3.106 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134608401 1376623673 /nfs/dbraw/zinc/62/36/73/1376623673.db2.gz VJUUCHDHKWARJF-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729687 1376682578 /nfs/dbraw/zinc/68/25/78/1376682578.db2.gz LBIBZCSBTQLFID-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790401 1376722678 /nfs/dbraw/zinc/72/26/78/1376722678.db2.gz BUTCQIMIPRTQNF-UHUXCJHTSA-N 2 0 343.943 3.265 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791561 1376725059 /nfs/dbraw/zinc/72/50/59/1376725059.db2.gz TZUBDRFYUYLEKF-JKSUJKDBSA-N 2 0 337.552 3.312 20 0 EGADRP Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C)ccc2c[nH+]cn21 ZINC001134820467 1376741390 /nfs/dbraw/zinc/74/13/90/1376741390.db2.gz JTBGYHCDIHPYGP-LSDHHAIUSA-N 2 0 330.476 3.175 20 0 EGADRP c1cc(-c2ccccc2)sc1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235039303 1376838248 /nfs/dbraw/zinc/83/82/48/1376838248.db2.gz XQQGMKAWXUCJIB-SJLPKXTDSA-N 2 0 328.481 3.225 20 0 EGADRP Clc1cc2[nH]cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235430368 1376872273 /nfs/dbraw/zinc/87/22/73/1376872273.db2.gz WVZRHCZMVOIULU-UONOGXRCSA-N 2 0 332.879 3.428 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135078008 1376882725 /nfs/dbraw/zinc/88/27/25/1376882725.db2.gz XMSZIMGZGAZJSD-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077596 1376882866 /nfs/dbraw/zinc/88/28/66/1376882866.db2.gz PYCJJQQSNJKQDQ-MSOLQXFVSA-N 2 0 337.552 3.480 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135100697 1376898707 /nfs/dbraw/zinc/89/87/07/1376898707.db2.gz GERCETCTBIWMDH-QZTJIDSGSA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]C/C=C/Cl ZINC001135101012 1376898979 /nfs/dbraw/zinc/89/89/79/1376898979.db2.gz HSRZLYJIQJOPKN-IRZHHCKBSA-N 2 0 343.943 3.124 20 0 EGADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1OCC=C2 ZINC001235887791 1376911370 /nfs/dbraw/zinc/91/13/70/1376911370.db2.gz IDODQMCSJVMCJE-GOSISDBHSA-N 2 0 328.456 3.065 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159809 1388469685 /nfs/dbraw/zinc/46/96/85/1388469685.db2.gz LWXIJDIOZFAKBU-WARJXXDVSA-N 2 0 349.563 3.243 20 0 EGADRP COCC[N@H+](CCCc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001235945273 1376923074 /nfs/dbraw/zinc/92/30/74/1376923074.db2.gz DIFWGIYECLFSCK-UHFFFAOYSA-N 2 0 344.421 3.338 20 0 EGADRP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1Oc1ccccc1 ZINC001235969665 1376924418 /nfs/dbraw/zinc/92/44/18/1376924418.db2.gz TXPWSYFKXPXQPZ-LJQANCHMSA-N 2 0 326.440 3.289 20 0 EGADRP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](CCCCCC[NH3+])C1)C2 ZINC001236006545 1376925753 /nfs/dbraw/zinc/92/57/53/1376925753.db2.gz PMBRHOCKBYKVSZ-WIYYLYMNSA-N 2 0 344.499 3.101 20 0 EGADRP COCOc1ccc(F)cc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001236076681 1376932389 /nfs/dbraw/zinc/93/23/89/1376932389.db2.gz SQLDGFPIMUBKJT-UHFFFAOYSA-N 2 0 344.430 3.399 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)cc1 ZINC001236447020 1376952962 /nfs/dbraw/zinc/95/29/62/1376952962.db2.gz HRDAWQQRQHECOG-GOSISDBHSA-N 2 0 349.482 3.219 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCC1CCC1 ZINC001135179902 1376953750 /nfs/dbraw/zinc/95/37/50/1376953750.db2.gz BMJLBIZHHJMOHB-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001135298168 1377026162 /nfs/dbraw/zinc/02/61/62/1377026162.db2.gz LFVDESIKVHYJBM-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297906 1377026468 /nfs/dbraw/zinc/02/64/68/1377026468.db2.gz JQCIXSGMPUKVED-IRXDYDNUSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297742 1377026626 /nfs/dbraw/zinc/02/66/26/1377026626.db2.gz GVYQDLUNBYBTHN-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1occc1C[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001135299083 1377026816 /nfs/dbraw/zinc/02/68/16/1377026816.db2.gz TXBAHQBRXFMMHU-CABCVRRESA-N 2 0 337.508 3.264 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001135315117 1377033691 /nfs/dbraw/zinc/03/36/91/1377033691.db2.gz LRRGJZSXDOIPKM-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCC[NH+](C)C ZINC001135314900 1377033734 /nfs/dbraw/zinc/03/37/34/1377033734.db2.gz IQUZOSAEVMFHJA-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1C ZINC001135316637 1377034235 /nfs/dbraw/zinc/03/42/35/1377034235.db2.gz VOWXJDATFMUIEU-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246379523 1377051518 /nfs/dbraw/zinc/05/15/18/1377051518.db2.gz PRTJCQCYQZOHSS-MJGOQNOKSA-N 2 0 331.479 3.049 20 0 EGADRP CCCC[C@@H]1C[C@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380427 1377051711 /nfs/dbraw/zinc/05/17/11/1377051711.db2.gz HCGJRZVKWWOWKV-RTBURBONSA-N 2 0 347.522 3.391 20 0 EGADRP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246546424 1377052605 /nfs/dbraw/zinc/05/26/05/1377052605.db2.gz KCVLOMRVWBLLJB-MOPGFXCFSA-N 2 0 338.451 3.383 20 0 EGADRP Fc1ccc(CN2CCC[N@@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246822715 1377055006 /nfs/dbraw/zinc/05/50/06/1377055006.db2.gz MTHZEUMTERQXAS-RTWAWAEBSA-N 2 0 345.506 3.256 20 0 EGADRP C[C@@H]1CC[C@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C[NH2+]1 ZINC001246820524 1377055389 /nfs/dbraw/zinc/05/53/89/1377055389.db2.gz WJSMVUCFBRXOMX-XLIONFOSSA-N 2 0 329.532 3.242 20 0 EGADRP Fc1ccccc1CN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246937803 1377055689 /nfs/dbraw/zinc/05/56/89/1377055689.db2.gz NZEMPUAYOAEYJI-QZTJIDSGSA-N 2 0 331.479 3.054 20 0 EGADRP CC(C)Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001135371443 1377059814 /nfs/dbraw/zinc/05/98/14/1377059814.db2.gz FUCMXVFRMMYWJI-MSOLQXFVSA-N 2 0 347.547 3.210 20 0 EGADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001327276860 1388478554 /nfs/dbraw/zinc/47/85/54/1388478554.db2.gz HCBSSZKRAGFNDX-YJBOKZPZSA-N 2 0 337.483 3.007 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001135437462 1377097407 /nfs/dbraw/zinc/09/74/07/1377097407.db2.gz UVNLNIHJPXVOIA-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP [NH3+]C1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254373268 1377103695 /nfs/dbraw/zinc/10/36/95/1377103695.db2.gz ZWVWXJGEOWVPJP-OAHLLOKOSA-N 2 0 328.378 3.134 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001254509563 1377105889 /nfs/dbraw/zinc/10/58/89/1377105889.db2.gz HOLKYSHESQCQGQ-SFHVURJKSA-N 2 0 336.907 3.462 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468707 1377107844 /nfs/dbraw/zinc/10/78/44/1377107844.db2.gz SFJNNLHMTRMSFV-RKQNLGICSA-N 2 0 337.552 3.338 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1C)C(C)C ZINC001135478148 1377111785 /nfs/dbraw/zinc/11/17/85/1377111785.db2.gz WRFQTCUFOWBIEA-HKUYNNGSSA-N 2 0 333.520 3.128 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1CCCC1 ZINC001135613840 1377161743 /nfs/dbraw/zinc/16/17/43/1377161743.db2.gz IAPWBEKVYXRFKX-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266111137 1377189623 /nfs/dbraw/zinc/18/96/23/1377189623.db2.gz WYYMAAUSZZFBIG-QZTJIDSGSA-N 2 0 325.541 3.076 20 0 EGADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1F ZINC001266144351 1377206416 /nfs/dbraw/zinc/20/64/16/1377206416.db2.gz QCTINBDHEAWLMN-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001135768941 1377206883 /nfs/dbraw/zinc/20/68/83/1377206883.db2.gz VCRYXEPKFMLRBQ-MOPGFXCFSA-N 2 0 345.531 3.100 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCF)CC1 ZINC001135823380 1377222494 /nfs/dbraw/zinc/22/24/94/1377222494.db2.gz ACYBLZVEPVJSAL-IAGOWNOFSA-N 2 0 343.531 3.120 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001266195791 1377222766 /nfs/dbraw/zinc/22/27/66/1377222766.db2.gz ZUTNTQSBJNLOAY-PXNSSMCTSA-N 2 0 345.531 3.319 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135861640 1377238692 /nfs/dbraw/zinc/23/86/92/1377238692.db2.gz UYBKMFYTWFIXHM-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]C/C=C\c1ccccc1 ZINC001135961410 1377277516 /nfs/dbraw/zinc/27/75/16/1377277516.db2.gz PWSSWHMJCZTGDM-QOLSVTOYSA-N 2 0 345.531 3.305 20 0 EGADRP Cc1ccc(CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)cc1 ZINC001135966694 1377279298 /nfs/dbraw/zinc/27/92/98/1377279298.db2.gz QJSGWUPGBADESK-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135980516 1377285646 /nfs/dbraw/zinc/28/56/46/1377285646.db2.gz PIXLMJPTRHCTHB-ZIAGYGMSSA-N 2 0 339.549 3.080 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135980931 1377286088 /nfs/dbraw/zinc/28/60/88/1377286088.db2.gz VBMYUCSHLRKLTB-OALUTQOASA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cccc(F)c1 ZINC001266579286 1377336651 /nfs/dbraw/zinc/33/66/51/1377336651.db2.gz LVEYBQCORFWBSX-IBGZPJMESA-N 2 0 349.494 3.028 20 0 EGADRP C[C@H](CNC(=O)c1ccccc1CC[NH+](C)C)[NH2+]CC1CCCCC1 ZINC001266954762 1377403636 /nfs/dbraw/zinc/40/36/36/1377403636.db2.gz ATITUJRQHZTMMT-QGZVFWFLSA-N 2 0 345.531 3.079 20 0 EGADRP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cncnc2)CC3)cc1 ZINC001137669434 1377587328 /nfs/dbraw/zinc/58/73/28/1377587328.db2.gz SZKSAUBPQWTOER-UHFFFAOYSA-N 2 0 336.483 3.355 20 0 EGADRP CC[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001270789427 1377614233 /nfs/dbraw/zinc/61/42/33/1377614233.db2.gz VAUONKZDJJWDIG-CTNGQTDRSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c2ccccc12 ZINC001138015602 1377665532 /nfs/dbraw/zinc/66/55/32/1377665532.db2.gz LTKBCIVRYRNSQB-FCHUYYIVSA-N 2 0 337.511 3.358 20 0 EGADRP Oc1cccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001138397604 1377717144 /nfs/dbraw/zinc/71/71/44/1377717144.db2.gz XEWKMAPQKRPLBI-RBUKOAKNSA-N 2 0 337.467 3.131 20 0 EGADRP Cn1ccc2c1cccc2C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001139156602 1377841440 /nfs/dbraw/zinc/84/14/40/1377841440.db2.gz XGDVCFYWCZXNRS-BGYRXZFFSA-N 2 0 346.478 3.137 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185400 1377845604 /nfs/dbraw/zinc/84/56/04/1377845604.db2.gz VJFLQEGUWMHBPZ-QGZVFWFLSA-N 2 0 348.288 3.458 20 0 EGADRP O=c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001139471491 1377890636 /nfs/dbraw/zinc/89/06/36/1377890636.db2.gz XRTXYQDUNDBPSD-WOJBJXKFSA-N 2 0 337.467 3.131 20 0 EGADRP c1cc(C[N@@H+]2CCCC3(CCC3)C2)cc(OCCN2CCOCC2)c1 ZINC001139768841 1377948192 /nfs/dbraw/zinc/94/81/92/1377948192.db2.gz OWWBWHFPOAYOHA-UHFFFAOYSA-N 2 0 344.499 3.164 20 0 EGADRP FC(F)(F)CCC[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001275166128 1378137315 /nfs/dbraw/zinc/13/73/15/1378137315.db2.gz OZHPIUQRNCWCEU-UHFFFAOYSA-N 2 0 344.425 3.014 20 0 EGADRP FC(F)(F)CCCN1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275166328 1378137436 /nfs/dbraw/zinc/13/74/36/1378137436.db2.gz SEXKGYCLIHMEHY-INIZCTEOSA-N 2 0 334.426 3.438 20 0 EGADRP C[N@H+]1CC[C@H]2C[NH+](CC3(c4ccccc4)CCOCC3)C[C@H]2CC1 ZINC001276494271 1378175533 /nfs/dbraw/zinc/17/55/33/1378175533.db2.gz RYBSHYSHHGSICQ-KDURUIRLSA-N 2 0 328.500 3.008 20 0 EGADRP Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001276871842 1378190825 /nfs/dbraw/zinc/19/08/25/1378190825.db2.gz FOLIASCDJZLHJN-HXUWFJFHSA-N 2 0 329.488 3.326 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001140974507 1378197495 /nfs/dbraw/zinc/19/74/95/1378197495.db2.gz ASEHYZDXTUJGGS-RTBURBONSA-N 2 0 327.516 3.451 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)NC(C)(C)C)C2)CC1 ZINC001278021931 1378255292 /nfs/dbraw/zinc/25/52/92/1378255292.db2.gz OBSNMJCHKSVSPH-LAUBAEHRSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CNC(=O)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001327517143 1388545874 /nfs/dbraw/zinc/54/58/74/1388545874.db2.gz DVHZIPCTVNBURC-ICSRJNTNSA-N 2 0 345.531 3.039 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001142307040 1378432565 /nfs/dbraw/zinc/43/25/65/1378432565.db2.gz QSRJIDHLTNFBEM-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccc2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001142384184 1378438084 /nfs/dbraw/zinc/43/80/84/1378438084.db2.gz ZXSXQFRKCZTXBJ-UHFFFAOYSA-N 2 0 337.511 3.362 20 0 EGADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC001142404797 1378440398 /nfs/dbraw/zinc/44/03/98/1378440398.db2.gz HJOPDRIGRUYFRB-OKILXGFUSA-N 2 0 348.288 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccccc1C ZINC001282678362 1378550885 /nfs/dbraw/zinc/55/08/85/1378550885.db2.gz RJFZYXOKWAMTHY-FQEVSTJZSA-N 2 0 345.531 3.198 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(C(F)F)cc1 ZINC001143252270 1378569830 /nfs/dbraw/zinc/56/98/30/1378569830.db2.gz XMGHAFMTTYBZSA-UHFFFAOYSA-N 2 0 327.463 3.330 20 0 EGADRP COc1ccc(F)c(C(F)(F)F)c1CN1CC2(C1)CC[NH+](C)CC2 ZINC001143310251 1378577834 /nfs/dbraw/zinc/57/78/34/1378577834.db2.gz ZDOAGINGARSPGM-UHFFFAOYSA-N 2 0 346.368 3.381 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001143831214 1378651004 /nfs/dbraw/zinc/65/10/04/1378651004.db2.gz BWFVMMKBWCSRME-MJGOQNOKSA-N 2 0 345.531 3.352 20 0 EGADRP CN(C)[C@@H](C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1 ZINC001144590169 1378748384 /nfs/dbraw/zinc/74/83/84/1378748384.db2.gz XTECFMCLYQMBNI-HXUWFJFHSA-N 2 0 346.434 3.489 20 0 EGADRP CCC[C@H]1CC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001144639602 1378753676 /nfs/dbraw/zinc/75/36/76/1378753676.db2.gz OIWAZTACXCLUCB-WGSAOQKQSA-N 2 0 339.568 3.325 20 0 EGADRP c1cc2cccc(C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)c2[nH]1 ZINC001144705600 1378761841 /nfs/dbraw/zinc/76/18/41/1378761841.db2.gz QGLVXZVKAVJWMH-UHFFFAOYSA-N 2 0 341.499 3.492 20 0 EGADRP Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001283325529 1378810048 /nfs/dbraw/zinc/81/00/48/1378810048.db2.gz MZUHOEKJAGRUAZ-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CCC[NH+]1CCCC1 ZINC001146532538 1378861394 /nfs/dbraw/zinc/86/13/94/1378861394.db2.gz BJVNDAXXZFXOIS-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001146591918 1378873212 /nfs/dbraw/zinc/87/32/12/1378873212.db2.gz IHCMMXDHUBGHBT-RTBURBONSA-N 2 0 347.547 3.222 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001146592688 1378873383 /nfs/dbraw/zinc/87/33/83/1378873383.db2.gz KKNUOHGEIWFFIC-JKSUJKDBSA-N 2 0 345.487 3.146 20 0 EGADRP Cc1ccc(CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146590804 1378873652 /nfs/dbraw/zinc/87/36/52/1378873652.db2.gz BBOGUEFFQCSVLN-OALUTQOASA-N 2 0 347.547 3.141 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001146592732 1378873915 /nfs/dbraw/zinc/87/39/15/1378873915.db2.gz KXOJQUYTXBKGQW-SJORKVTESA-N 2 0 325.541 3.170 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146608738 1378877146 /nfs/dbraw/zinc/87/71/46/1378877146.db2.gz AZHVFMJRUWYKTR-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001146611572 1378877979 /nfs/dbraw/zinc/87/79/79/1378877979.db2.gz MKZAXUWQRCFLNM-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(C)C)o1 ZINC001146698973 1378899765 /nfs/dbraw/zinc/89/97/65/1378899765.db2.gz AZIQACIKMXSKMJ-HZPDHXFCSA-N 2 0 337.508 3.264 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1ccccc1CC ZINC001147449555 1379022944 /nfs/dbraw/zinc/02/29/44/1379022944.db2.gz UBWCLXIOULHRPL-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CC1CC(C)(C)C1 ZINC001147450055 1379023117 /nfs/dbraw/zinc/02/31/17/1379023117.db2.gz WYDAOEBXWHVVJL-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC(C)CC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992598 1379103972 /nfs/dbraw/zinc/10/39/72/1379103972.db2.gz NEJFYJISDHPIPA-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)C)C3)C1 ZINC001148124391 1379121063 /nfs/dbraw/zinc/12/10/63/1379121063.db2.gz CAIWNUPHFMXOCI-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2)[NH+](CC)CC ZINC001148286722 1379146029 /nfs/dbraw/zinc/14/60/29/1379146029.db2.gz XFJALNSQMRBDCT-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390053 1379162664 /nfs/dbraw/zinc/16/26/64/1379162664.db2.gz AKKRQCGAIBWDCS-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477121 1379180816 /nfs/dbraw/zinc/18/08/16/1379180816.db2.gz JJVWOSHANYEIBA-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)C2 ZINC001148656904 1379235940 /nfs/dbraw/zinc/23/59/40/1379235940.db2.gz IOSNETYSARFUQL-GOSISDBHSA-N 2 0 343.515 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001283924863 1379276365 /nfs/dbraw/zinc/27/63/65/1379276365.db2.gz BBAVMYQAMCBRNY-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCC1CCCC1 ZINC001284133122 1379518268 /nfs/dbraw/zinc/51/82/68/1379518268.db2.gz YZOVMRVNZMZCLF-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001284214044 1379603108 /nfs/dbraw/zinc/60/31/08/1379603108.db2.gz ZXMGIYHQUPLHJU-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001151361466 1379705002 /nfs/dbraw/zinc/70/50/02/1379705002.db2.gz HNCYZWZUKOVVGK-HXUWFJFHSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C34CCC[NH+]3CCC4)c2C1 ZINC001152020926 1379841862 /nfs/dbraw/zinc/84/18/62/1379841862.db2.gz OKRMMKIXIUXDEE-UHFFFAOYSA-N 2 0 327.472 3.225 20 0 EGADRP CCCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001152391749 1379926007 /nfs/dbraw/zinc/92/60/07/1379926007.db2.gz FLLXFQQAEWAPRR-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001152470959 1379939446 /nfs/dbraw/zinc/93/94/46/1379939446.db2.gz GTPNRDQXSVQFAO-FQEVSTJZSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001152470463 1379939714 /nfs/dbraw/zinc/93/97/14/1379939714.db2.gz BJLSRNBKPIGHCQ-PMACEKPBSA-N 2 0 345.531 3.354 20 0 EGADRP CC[C@H](C(=O)N(CC[N@H+](C)CC1CCCCC1)C(C)C)[NH+](C)C ZINC001284553243 1379960792 /nfs/dbraw/zinc/96/07/92/1379960792.db2.gz GOBQDLKHTZFEQK-GOSISDBHSA-N 2 0 325.541 3.076 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361962 1380063956 /nfs/dbraw/zinc/06/39/56/1380063956.db2.gz IZNDYQHVQPSWMP-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153818830 1380136204 /nfs/dbraw/zinc/13/62/04/1380136204.db2.gz CAKDFKHEWXUZFO-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819445 1380136868 /nfs/dbraw/zinc/13/68/68/1380136868.db2.gz ZONFRGANMSZVSB-VQIMIIECSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819444 1380136902 /nfs/dbraw/zinc/13/69/02/1380136902.db2.gz ZONFRGANMSZVSB-APWZRJJASA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824136 1380137736 /nfs/dbraw/zinc/13/77/36/1380137736.db2.gz MKUXOCXGGGALJR-FHLIRTJZSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880012 1380148835 /nfs/dbraw/zinc/14/88/35/1380148835.db2.gz SZPFGTOFYCFIDY-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)ccc1C ZINC001154069609 1380198441 /nfs/dbraw/zinc/19/84/41/1380198441.db2.gz IMAFYEBFFKXMOU-GOSISDBHSA-N 2 0 347.547 3.360 20 0 EGADRP CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464508 1380283096 /nfs/dbraw/zinc/28/30/96/1380283096.db2.gz NOEDPOBXEWPYEB-DLBZAZTESA-N 2 0 343.531 3.216 20 0 EGADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+](C)C ZINC001154467030 1380283118 /nfs/dbraw/zinc/28/31/18/1380283118.db2.gz ZVGISKFINSJHFL-BJLQDIEVSA-N 2 0 345.531 3.367 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C)C1 ZINC001154785047 1380350784 /nfs/dbraw/zinc/35/07/84/1380350784.db2.gz XJBSHJWNOUWLFC-MOPGFXCFSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844312 1380362786 /nfs/dbraw/zinc/36/27/86/1380362786.db2.gz AWJGDYYMOOFMHB-ACBYSDGPSA-N 2 0 337.552 3.290 20 0 EGADRP CC[N@H+](CCCc1cccc(C)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904717 1380374592 /nfs/dbraw/zinc/37/45/92/1380374592.db2.gz XAWAKEXZQQXIQS-LJQANCHMSA-N 2 0 347.547 3.096 20 0 EGADRP CC[N@H+](Cc1cc2ccccc2o1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904212 1380374707 /nfs/dbraw/zinc/37/47/07/1380374707.db2.gz PNFKLSMMIWZVHA-MRXNPFEDSA-N 2 0 345.487 3.101 20 0 EGADRP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904455 1380374723 /nfs/dbraw/zinc/37/47/23/1380374723.db2.gz SCULVGRAQDWZNY-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP F[C@]1(CNc2ncnc3c2ccn3C2CCCC2)CCCC[NH2+]C1 ZINC001155117764 1380411667 /nfs/dbraw/zinc/41/16/67/1380411667.db2.gz SOQUFSXPWUZOMT-GOSISDBHSA-N 2 0 331.439 3.440 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CC(C)(C)C1)[NH+](CC)CC ZINC001155180511 1380420235 /nfs/dbraw/zinc/42/02/35/1380420235.db2.gz CGMAFVYZUIWDGD-AEFFLSMTSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227146 1380426663 /nfs/dbraw/zinc/42/66/63/1380426663.db2.gz VVYGOYRLXBRHRA-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237697 1380428045 /nfs/dbraw/zinc/42/80/45/1380428045.db2.gz GGOOLCDMMVZZBL-VQIMIIECSA-N 2 0 343.531 3.072 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263916 1380430041 /nfs/dbraw/zinc/43/00/41/1380430041.db2.gz XZYOHKCFRDRYDA-GOSISDBHSA-N 2 0 347.547 3.300 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155262730 1380430141 /nfs/dbraw/zinc/43/01/41/1380430141.db2.gz GAROYETXVOUSMW-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001328081312 1388663693 /nfs/dbraw/zinc/66/36/93/1388663693.db2.gz KIORAVAJXKCNRB-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631732 1380476850 /nfs/dbraw/zinc/47/68/50/1380476850.db2.gz YWPBCNLKIJWKAB-QGZVFWFLSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC001155803038 1380493529 /nfs/dbraw/zinc/49/35/29/1380493529.db2.gz VUBDAOOIGNXEQY-OXJNMPFZSA-N 2 0 339.483 3.091 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131602 1380529487 /nfs/dbraw/zinc/52/94/87/1380529487.db2.gz WLXKRBDHSNXSLF-GOSISDBHSA-N 2 0 345.531 3.134 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CC1 ZINC001156306014 1380555437 /nfs/dbraw/zinc/55/54/37/1380555437.db2.gz JLTUYLGZGCDNLH-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCC1CCCC1 ZINC001156517389 1380587180 /nfs/dbraw/zinc/58/71/80/1380587180.db2.gz XTADDFDYHYSBRI-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961315 1380738261 /nfs/dbraw/zinc/73/82/61/1380738261.db2.gz MJAIDGFESLSDCW-QZTJIDSGSA-N 2 0 325.541 3.125 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157119208 1380780354 /nfs/dbraw/zinc/78/03/54/1380780354.db2.gz QTGWOBRZHYPZBY-RTBURBONSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]C1 ZINC001328175276 1388685207 /nfs/dbraw/zinc/68/52/07/1388685207.db2.gz VBRMDQLCLJWBIR-OAQYLSRUSA-N 2 0 343.515 3.069 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001157899066 1381065561 /nfs/dbraw/zinc/06/55/61/1381065561.db2.gz IVUVQZVTDQTDMM-MJGOQNOKSA-N 2 0 331.504 3.025 20 0 EGADRP O=C(NCCC[NH2+]CC1=CCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158099758 1381127717 /nfs/dbraw/zinc/12/77/17/1381127717.db2.gz SFHWRMKUAHSNPO-IBGZPJMESA-N 2 0 347.547 3.237 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1)[NH+](C)C ZINC001158123708 1381134769 /nfs/dbraw/zinc/13/47/69/1381134769.db2.gz AFHNJRWDYFUOGF-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158123837 1381134802 /nfs/dbraw/zinc/13/48/02/1381134802.db2.gz DWRXDXMMWZPBKH-QZTJIDSGSA-N 2 0 325.541 3.220 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158128749 1381136665 /nfs/dbraw/zinc/13/66/65/1381136665.db2.gz JCQXCWIRTDJLOV-BGGMYYEUSA-N 2 0 337.552 3.386 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158289349 1381186369 /nfs/dbraw/zinc/18/63/69/1381186369.db2.gz DVFAFEGWTFAZIR-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158398556 1381230148 /nfs/dbraw/zinc/23/01/48/1381230148.db2.gz YBQJPDCAQCNUOY-RBUKOAKNSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646222 1381336243 /nfs/dbraw/zinc/33/62/43/1381336243.db2.gz IGZBQDBNCHWAMB-PKOBYXMFSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1 ZINC001158773460 1381393176 /nfs/dbraw/zinc/39/31/76/1381393176.db2.gz MMVFQWHTKJPAOG-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP Cc1cccc(C[NH+](C)C[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001158923349 1381464830 /nfs/dbraw/zinc/46/48/30/1381464830.db2.gz WYJURRSIRPWLHS-HXUWFJFHSA-N 2 0 345.531 3.148 20 0 EGADRP c1cnc(OC2CC[NH2+]CC2)c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001159248207 1381743242 /nfs/dbraw/zinc/74/32/42/1381743242.db2.gz POYBJYCGWXUNKJ-SFHVURJKSA-N 2 0 338.455 3.381 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001159334716 1381767841 /nfs/dbraw/zinc/76/78/41/1381767841.db2.gz GFJQLANJJIDPGD-RBUKOAKNSA-N 2 0 349.494 3.247 20 0 EGADRP C[NH+]1CCN(c2cccnc2Nc2ccc([C@H]3CCC[NH2+]3)cc2)CC1 ZINC001159366028 1381778004 /nfs/dbraw/zinc/77/80/04/1381778004.db2.gz RJDMDRWTUGJEGA-GOSISDBHSA-N 2 0 337.471 3.002 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1F ZINC001159571187 1381832766 /nfs/dbraw/zinc/83/27/66/1381832766.db2.gz KMKHZSJBFYHVDK-UHFFFAOYSA-N 2 0 342.462 3.036 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])NC(F)(F)c1cnc(Cl)c(C2CCCCC2)c1 ZINC001159787904 1381900032 /nfs/dbraw/zinc/90/00/32/1381900032.db2.gz DLWWZXACGYOFHE-CQSZACIVSA-N 2 0 346.853 3.445 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001159839352 1381917209 /nfs/dbraw/zinc/91/72/09/1381917209.db2.gz YYTIWUYDGUYQRH-IBGZPJMESA-N 2 0 349.563 3.031 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159908701 1381934554 /nfs/dbraw/zinc/93/45/54/1381934554.db2.gz IWLJHJDAQQTECQ-QZTJIDSGSA-N 2 0 325.541 3.027 20 0 EGADRP [NH3+]C1CN(c2cccc(NC3=CCC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC001159989181 1381960834 /nfs/dbraw/zinc/96/08/34/1381960834.db2.gz OPCSNNRMHJEAMH-UHFFFAOYSA-N 2 0 334.467 3.036 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001159997838 1381964302 /nfs/dbraw/zinc/96/43/02/1381964302.db2.gz ZWKGGYKPJSRHKA-QGZVFWFLSA-N 2 0 345.531 3.451 20 0 EGADRP [NH3+]CCOc1cccc(Nc2ccc(CC3CC[NH2+]CC3)cc2)c1 ZINC001160019715 1381970044 /nfs/dbraw/zinc/97/00/44/1381970044.db2.gz LDFGAIQIMQGJGJ-UHFFFAOYSA-N 2 0 325.456 3.310 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2c(F)cccc2N2CC[NH2+]CC2)cc1 ZINC001160056929 1381985096 /nfs/dbraw/zinc/98/50/96/1381985096.db2.gz AAGPVUDPNWSAJX-UHFFFAOYSA-N 2 0 328.435 3.041 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[NH+](CC)CC)cc1 ZINC001160110324 1382000054 /nfs/dbraw/zinc/00/00/54/1382000054.db2.gz AIOBUSMFJSGYSN-PMACEKPBSA-N 2 0 345.531 3.232 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160141640 1382013962 /nfs/dbraw/zinc/01/39/62/1382013962.db2.gz POQYQAZLGBMBQF-QGZVFWFLSA-N 2 0 329.419 3.372 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001160142771 1382014977 /nfs/dbraw/zinc/01/49/77/1382014977.db2.gz ACBPURJJIJAURU-LJQANCHMSA-N 2 0 335.455 3.426 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC001160169455 1382022983 /nfs/dbraw/zinc/02/29/83/1382022983.db2.gz RURKOIKGCZVPJO-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)cc1 ZINC001160181980 1382026749 /nfs/dbraw/zinc/02/67/49/1382026749.db2.gz IXXJMUOTMDXVCD-MRXNPFEDSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+]1CCC(COc2c(F)cccc2NC2=CCC[NH2+]CC2)CC1 ZINC001160187377 1382028108 /nfs/dbraw/zinc/02/81/08/1382028108.db2.gz FROFGENGVAVNBS-UHFFFAOYSA-N 2 0 333.451 3.226 20 0 EGADRP CC1(C)C[NH2+]Cc2cc(Nc3cnn(CC[NH+]4CCCC4)c3)ccc21 ZINC001160286155 1382062612 /nfs/dbraw/zinc/06/26/12/1382062612.db2.gz FAKZHBGXNHALGD-UHFFFAOYSA-N 2 0 339.487 3.103 20 0 EGADRP CC[NH+](CC)CCn1cc(Nc2ccc3c(c2)C[NH2+]CC3(C)C)cn1 ZINC001160286129 1382062671 /nfs/dbraw/zinc/06/26/71/1382062671.db2.gz DKMJFQLUFBFVSB-UHFFFAOYSA-N 2 0 341.503 3.349 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359853 1382082622 /nfs/dbraw/zinc/08/26/22/1382082622.db2.gz CYWSAROXZKECCG-SFHVURJKSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160467448 1382114819 /nfs/dbraw/zinc/11/48/19/1382114819.db2.gz STZQJFHFHUWRSP-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160518911 1382129843 /nfs/dbraw/zinc/12/98/43/1382129843.db2.gz SWXBQAWCAOIBGK-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP Nc1cc[nH+]c(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])c1 ZINC001160632636 1382156437 /nfs/dbraw/zinc/15/64/37/1382156437.db2.gz MVJJKNMCFHLRFU-JSRAGOMMSA-N 2 0 328.419 3.063 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001292098204 1382169721 /nfs/dbraw/zinc/16/97/21/1382169721.db2.gz PQNZJZNGIAGJBZ-IAGOWNOFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001160834912 1382212671 /nfs/dbraw/zinc/21/26/71/1382212671.db2.gz QXKROYYHOWRLCO-OALUTQOASA-N 2 0 349.563 3.175 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160869770 1382220213 /nfs/dbraw/zinc/22/02/13/1382220213.db2.gz SMFHNQWYHXTIBO-RTBURBONSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160990996 1382264599 /nfs/dbraw/zinc/26/45/99/1382264599.db2.gz KBKKQYKMVDIYJX-HXUWFJFHSA-N 2 0 347.547 3.332 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC3CCCCC3)CC2)CC1 ZINC001161084486 1382293900 /nfs/dbraw/zinc/29/39/00/1382293900.db2.gz NHQXMCZXEADSET-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161205693 1382340628 /nfs/dbraw/zinc/34/06/28/1382340628.db2.gz FTGAYEHDMWBLGQ-DDRDIHNTSA-N 2 0 347.547 3.069 20 0 EGADRP CCN(C)c1cc(C)[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)n1 ZINC001161228998 1382349307 /nfs/dbraw/zinc/34/93/07/1382349307.db2.gz IPFBKKWHADNDEF-UHFFFAOYSA-N 2 0 331.508 3.165 20 0 EGADRP CC(C)Oc1cc[nH+]c(NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC001161236647 1382351373 /nfs/dbraw/zinc/35/13/73/1382351373.db2.gz RGYIGTRHCXSYGL-UHFFFAOYSA-N 2 0 333.476 3.172 20 0 EGADRP C[C@H]([NH3+])c1cccc(C(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001161435643 1382410087 /nfs/dbraw/zinc/41/00/87/1382410087.db2.gz WTELRAMSISIDBW-INIZCTEOSA-N 2 0 337.467 3.101 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)C(C)C ZINC001161491679 1382421549 /nfs/dbraw/zinc/42/15/49/1382421549.db2.gz LJCVGTLBVAADPG-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001161497205 1382423435 /nfs/dbraw/zinc/42/34/35/1382423435.db2.gz SZWBOMQXDGKNLV-GOSISDBHSA-N 2 0 343.515 3.228 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001161523931 1382429802 /nfs/dbraw/zinc/42/98/02/1382429802.db2.gz CUTYXKUFMCIBFG-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])C1CCCCC1)c1ccsc1 ZINC001328592388 1388785988 /nfs/dbraw/zinc/78/59/88/1388785988.db2.gz SMLVRKBNASHXBW-DLBZAZTESA-N 2 0 337.533 3.155 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001294428698 1382456551 /nfs/dbraw/zinc/45/65/51/1382456551.db2.gz TXYQARSMYJQCCJ-ICSRJNTNSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001161643729 1382468519 /nfs/dbraw/zinc/46/85/19/1382468519.db2.gz AJTRCSXTDFWRMM-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001161678302 1382477901 /nfs/dbraw/zinc/47/79/01/1382477901.db2.gz DVIFLXDDZYNRSB-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)C1 ZINC001161704701 1382485037 /nfs/dbraw/zinc/48/50/37/1382485037.db2.gz GIXIIOACTCAEJG-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)C1 ZINC001161704702 1382485289 /nfs/dbraw/zinc/48/52/89/1382485289.db2.gz GIXIIOACTCAEJG-WOJBJXKFSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161749667 1382494241 /nfs/dbraw/zinc/49/42/41/1382494241.db2.gz DPHDXXOFYWBLJL-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CN(C)c1cc[nH+]c(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161822223 1382521127 /nfs/dbraw/zinc/52/11/27/1382521127.db2.gz PXNDZPXRBBMAJA-LJQANCHMSA-N 2 0 328.435 3.440 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001161873131 1382536266 /nfs/dbraw/zinc/53/62/66/1382536266.db2.gz SZJBOSMQECKEAV-IRXDYDNUSA-N 2 0 342.487 3.260 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932570 1382559485 /nfs/dbraw/zinc/55/94/85/1382559485.db2.gz VJCSMKBXNYCOKO-ONEGZZNKSA-N 2 0 347.547 3.357 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)[NH+]1CCCC1 ZINC001161952028 1382568259 /nfs/dbraw/zinc/56/82/59/1382568259.db2.gz APBFHZHUPILRSO-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952687 1382568539 /nfs/dbraw/zinc/56/85/39/1382568539.db2.gz ISKBIRMRVWPNBL-HXUWFJFHSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1c[nH+]c2cccc(Br)n12 ZINC001162465171 1382765487 /nfs/dbraw/zinc/76/54/87/1382765487.db2.gz DEANQITWKMLHFU-NWDGAFQWSA-N 2 0 337.265 3.144 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580611 1382797713 /nfs/dbraw/zinc/79/77/13/1382797713.db2.gz VUJPXEDASWAQEK-VQIMIIECSA-N 2 0 334.483 3.350 20 0 EGADRP F[C@@]1(CNc2ccc(SC3CC[NH2+]CC3)cc2)CCCC[NH2+]C1 ZINC001162586677 1382799497 /nfs/dbraw/zinc/79/94/97/1382799497.db2.gz ZOPBHNDQFJONBT-SFHVURJKSA-N 2 0 337.508 3.424 20 0 EGADRP CC[NH+](CC)Cc1cc(OC)ccc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162587923 1382799976 /nfs/dbraw/zinc/79/99/76/1382799976.db2.gz YBUPQPNQFPTAOU-LJQANCHMSA-N 2 0 337.483 3.431 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cncc([C@@H]3C[NH+]4CCC3CC4)n2)c1 ZINC001162910898 1382913491 /nfs/dbraw/zinc/91/34/91/1382913491.db2.gz YANNCJYZDDWHLX-RDTXWAMCSA-N 2 0 347.466 3.249 20 0 EGADRP CCCCCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162919119 1382917066 /nfs/dbraw/zinc/91/70/66/1382917066.db2.gz MHAYZHANUSMLSS-UHFFFAOYSA-N 2 0 347.547 3.179 20 0 EGADRP c1cc([C@@H]2CCC[NH2+]2)ccc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162967108 1382930268 /nfs/dbraw/zinc/93/02/68/1382930268.db2.gz YTBVWHYUUHXFJX-OALUTQOASA-N 2 0 329.488 3.072 20 0 EGADRP Cc1ccc2c(c1)[C@@H](Nc1ccc3c(n1)C[NH2+]CC3)CC21CC[NH2+]CC1 ZINC001163032321 1382952061 /nfs/dbraw/zinc/95/20/61/1382952061.db2.gz VDPBESZKQXBPAA-IBGZPJMESA-N 2 0 348.494 3.214 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)nnc1-c1ccccc1 ZINC001163125430 1382970831 /nfs/dbraw/zinc/97/08/31/1382970831.db2.gz BTLBJOPOGDSNQC-UHFFFAOYSA-N 2 0 346.866 3.075 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C)c2ccc(Cl)cc2n1 ZINC001163129424 1382972442 /nfs/dbraw/zinc/97/24/42/1382972442.db2.gz XINHKUHVIOGLTO-UHFFFAOYSA-N 2 0 333.867 3.475 20 0 EGADRP c1cc2c(s1)[C@H](Nc1ccc(COC3CC[NH2+]CC3)cc1)C[NH2+]C2 ZINC001163230045 1383000267 /nfs/dbraw/zinc/00/02/67/1383000267.db2.gz UAHRAVDVGZXRKC-GOSISDBHSA-N 2 0 343.496 3.273 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163248528 1383004671 /nfs/dbraw/zinc/00/46/71/1383004671.db2.gz QGWHDQUYQCJVRS-GOSISDBHSA-N 2 0 347.547 3.182 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163821627 1383125792 /nfs/dbraw/zinc/12/57/92/1383125792.db2.gz NNIJBXBDALQTDS-IEBWSBKVSA-N 2 0 343.515 3.026 20 0 EGADRP Cc1cc2[nH]ccc2c(N2CCC(COCC[NH+]3CCCC3)CC2)[nH+]1 ZINC001163881463 1383132261 /nfs/dbraw/zinc/13/22/61/1383132261.db2.gz GZPAWFPSWCNUJC-UHFFFAOYSA-N 2 0 342.487 3.200 20 0 EGADRP CC(C)N(CCC[NH3+])c1ncc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC001164123070 1383158336 /nfs/dbraw/zinc/15/83/36/1383158336.db2.gz YOTBAISEHOUIPS-UHFFFAOYSA-N 2 0 342.409 3.041 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165083475 1383224281 /nfs/dbraw/zinc/22/42/81/1383224281.db2.gz GKDCMIWBLDYLNK-PXNSSMCTSA-N 2 0 332.451 3.284 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1ccc(NC=CC2CC[NH2+]CC2)cc1 ZINC001165213289 1383249680 /nfs/dbraw/zinc/24/96/80/1383249680.db2.gz QMTQIMZGJURWAB-KAMYIIQDSA-N 2 0 345.487 3.110 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNc2c[nH+]c3cc(Br)ccn23)C1 ZINC001165289685 1383266887 /nfs/dbraw/zinc/26/68/87/1383266887.db2.gz IOPKBVNECDHKSP-LBPRGKRZSA-N 2 0 337.265 3.241 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+]CCCNC(=O)CCC[NH+](C)C)c(C)c1C ZINC001165367114 1383281535 /nfs/dbraw/zinc/28/15/35/1383281535.db2.gz MGHKWTGNYGBGOU-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1)C1CC1 ZINC001165485214 1383301822 /nfs/dbraw/zinc/30/18/22/1383301822.db2.gz PCIOIAJETRCKDM-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001297963744 1383311309 /nfs/dbraw/zinc/31/13/09/1383311309.db2.gz VXWIFIBNGMQZIB-PKOBYXMFSA-N 2 0 331.504 3.012 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001165894081 1383358659 /nfs/dbraw/zinc/35/86/59/1383358659.db2.gz ODVVQGOHIGBEGP-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1)[NH+](CC)CC ZINC001166447707 1383423756 /nfs/dbraw/zinc/42/37/56/1383423756.db2.gz NQAWRCJQACNOCN-QAPCUYQASA-N 2 0 337.483 3.103 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001166750988 1383471370 /nfs/dbraw/zinc/47/13/70/1383471370.db2.gz PAKUNFFPQTVILA-SFHVURJKSA-N 2 0 333.520 3.212 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001167232464 1383571258 /nfs/dbraw/zinc/57/12/58/1383571258.db2.gz DDNVQYLSWBOIEE-XBMUEBEBSA-N 2 0 349.563 3.031 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167236080 1383571907 /nfs/dbraw/zinc/57/19/07/1383571907.db2.gz HBUIPNSAIUKKQL-SREVYHEPSA-N 2 0 349.563 3.341 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167240196 1383573360 /nfs/dbraw/zinc/57/33/60/1383573360.db2.gz FHYYEGNLOXUJKU-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2C)CC1)[NH+](C)C ZINC001167257570 1383577341 /nfs/dbraw/zinc/57/73/41/1383577341.db2.gz ARRLJSKSHQPEFF-IBGZPJMESA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001167260949 1383578035 /nfs/dbraw/zinc/57/80/35/1383578035.db2.gz RRPOMUHOCPYUDN-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[NH+](CC)Cc1ccc(Br)cc1N[C@H]1CC[N@H+](C)C1 ZINC001167281278 1383583868 /nfs/dbraw/zinc/58/38/68/1383583868.db2.gz RMVJSFTZGDXSMD-HNNXBMFYSA-N 2 0 340.309 3.407 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167523229 1383658146 /nfs/dbraw/zinc/65/81/46/1383658146.db2.gz SLAIFFUXQDSQLE-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742653 1383726555 /nfs/dbraw/zinc/72/65/55/1383726555.db2.gz RPXYECFZXIMTFE-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001167752685 1383730874 /nfs/dbraw/zinc/73/08/74/1383730874.db2.gz WZDFSJCULCVHNW-CYBMUJFWSA-N 2 0 345.516 3.013 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784081 1383739873 /nfs/dbraw/zinc/73/98/73/1383739873.db2.gz LTAVETYYVKPMGG-VOTSOKGWSA-N 2 0 337.552 3.341 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001167784045 1383739921 /nfs/dbraw/zinc/73/99/21/1383739921.db2.gz KHSYMGCXALVZSA-QRVBRYPASA-N 2 0 349.563 3.031 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167812714 1383746367 /nfs/dbraw/zinc/74/63/67/1383746367.db2.gz VAIAEJLTVXLDBF-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]2(C[C@H](CCOC)CO2)C1 ZINC001167823494 1383749233 /nfs/dbraw/zinc/74/92/33/1383749233.db2.gz LLUSVLSOFIUGMA-SLFFLAALSA-N 2 0 340.552 3.405 20 0 EGADRP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167825758 1383749961 /nfs/dbraw/zinc/74/99/61/1383749961.db2.gz TVMUIGWKEMVBNA-CEXWTWQISA-N 2 0 326.525 3.157 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001167825963 1383750045 /nfs/dbraw/zinc/75/00/45/1383750045.db2.gz LVPPMCZXKFQOPF-BPQIPLTHSA-N 2 0 349.544 3.438 20 0 EGADRP CCOCc1ncn2c1C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)CCC2 ZINC001167826317 1383750310 /nfs/dbraw/zinc/75/03/10/1383750310.db2.gz WXUIBPXAIKWZBP-KRWDZBQOSA-N 2 0 336.524 3.136 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2OC)C1 ZINC001167834169 1383753051 /nfs/dbraw/zinc/75/30/51/1383753051.db2.gz IMWIVAXDHLCTAI-MSOLQXFVSA-N 2 0 349.519 3.444 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001167835523 1383753980 /nfs/dbraw/zinc/75/39/80/1383753980.db2.gz HMMJEMOAZYLFNS-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001167835584 1383754057 /nfs/dbraw/zinc/75/40/57/1383754057.db2.gz ITIFEPRIVCYTMY-INIZCTEOSA-N 2 0 349.494 3.105 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167836501 1383755086 /nfs/dbraw/zinc/75/50/86/1383755086.db2.gz XPIRYHPZCCAJFW-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC001167840346 1383756096 /nfs/dbraw/zinc/75/60/96/1383756096.db2.gz FHNXRGOJKSVLSU-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1nc(C)cc(C)n1)C1CC[NH2+]CC1 ZINC001167841328 1383756896 /nfs/dbraw/zinc/75/68/96/1383756896.db2.gz KNJMWEDVNCORIY-SFHVURJKSA-N 2 0 347.551 3.162 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(c2ccc(C(=O)OC)cc2)C1 ZINC001167841713 1383756923 /nfs/dbraw/zinc/75/69/23/1383756923.db2.gz PFRPXDAPAVRIGN-INIZCTEOSA-N 2 0 332.488 3.383 20 0 EGADRP CC(C)(C)C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975642 1383784202 /nfs/dbraw/zinc/78/42/02/1383784202.db2.gz SVJNYVDXTGSMKP-IHWFROFDSA-N 3 0 333.564 3.492 20 0 EGADRP CCOC(=O)C1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995577 1383791413 /nfs/dbraw/zinc/79/14/13/1383791413.db2.gz JOQCYMUFOOECRO-JWTNVVGKSA-N 2 0 334.504 3.057 20 0 EGADRP C[N@H+](C[C@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168005490 1383794974 /nfs/dbraw/zinc/79/49/74/1383794974.db2.gz JAVVLOXMKJAGFX-JIRNRHONSA-N 2 0 326.484 3.327 20 0 EGADRP CC(C)N1C[C@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1=O ZINC001168021556 1383798730 /nfs/dbraw/zinc/79/87/30/1383798730.db2.gz QGYPLBDJDRLWDZ-MBOZVWFJSA-N 2 0 343.515 3.027 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039263 1383802563 /nfs/dbraw/zinc/80/25/63/1383802563.db2.gz CORSHCHCLZEEPI-IKVWTGGYSA-N 2 0 329.532 3.358 20 0 EGADRP COC(=O)C[C@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168057716 1383805223 /nfs/dbraw/zinc/80/52/23/1383805223.db2.gz NMPSRHWCRPHDFS-ZHALLVOQSA-N 2 0 344.499 3.313 20 0 EGADRP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCO[C@H](C)C2)c1 ZINC001168101308 1383816730 /nfs/dbraw/zinc/81/67/30/1383816730.db2.gz KQZQIIXKDMVGQH-NXWXRZEISA-N 2 0 332.488 3.335 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CCC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001168298290 1383866905 /nfs/dbraw/zinc/86/69/05/1383866905.db2.gz KQKGFCSOFJPWSY-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP COc1cccc(C2([NH2+]C3CCC([NH+](C)C)CC3)CCOCC2)c1 ZINC001168305598 1383868149 /nfs/dbraw/zinc/86/81/49/1383868149.db2.gz PIQPUPHGCQCDQI-UHFFFAOYSA-N 2 0 332.488 3.163 20 0 EGADRP CCN(CC)C(=O)c1ccc(CC[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC001168312363 1383870426 /nfs/dbraw/zinc/87/04/26/1383870426.db2.gz SAKRATGNUVTSAL-UHFFFAOYSA-N 2 0 345.531 3.174 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168326656 1383873242 /nfs/dbraw/zinc/87/32/42/1383873242.db2.gz BREDOKQBTNSWGB-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CCOC(=O)c1cc2c(s1)CC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168324238 1383873298 /nfs/dbraw/zinc/87/32/98/1383873298.db2.gz LKUBIQULGKPDRA-UHFFFAOYSA-N 2 0 336.501 3.156 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001168335664 1383875743 /nfs/dbraw/zinc/87/57/43/1383875743.db2.gz OVLDOOFJVYEIHG-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335911 1383876585 /nfs/dbraw/zinc/87/65/85/1383876585.db2.gz ZLLQRQGNWWZOEP-GHOSXJJBSA-N 2 0 349.563 3.483 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168392812 1383893940 /nfs/dbraw/zinc/89/39/40/1383893940.db2.gz URQJVEOKFZXDFU-UHFFFAOYSA-N 2 0 341.543 3.457 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168454975 1383911361 /nfs/dbraw/zinc/91/13/61/1383911361.db2.gz OPGBPNNHBWQAHT-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]CCCC[NH+]3CCCC3)CCO2)cc1 ZINC001168582226 1383942000 /nfs/dbraw/zinc/94/20/00/1383942000.db2.gz CVQDTBSZXIHGQD-ICSRJNTNSA-N 2 0 332.488 3.381 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001168595599 1383944485 /nfs/dbraw/zinc/94/44/85/1383944485.db2.gz LULMYTCBUFZEQE-GXDHUFHOSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(Br)cc2c[nH+]cn21 ZINC001168602328 1383946626 /nfs/dbraw/zinc/94/66/26/1383946626.db2.gz LRKNHXADCWABKB-KBPBESRZSA-N 2 0 337.265 3.382 20 0 EGADRP [NH3+][C@H]1CCc2nn(-c3ccc4c(c3)C[N@@H+](Cc3ccccc3)C4)cc2C1 ZINC001168819223 1384017524 /nfs/dbraw/zinc/01/75/24/1384017524.db2.gz XABNTLHWRXJSJV-FQEVSTJZSA-N 2 0 344.462 3.204 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccccc3Cl)CC1)C2 ZINC001169118754 1384109796 /nfs/dbraw/zinc/10/97/96/1384109796.db2.gz MXYVGDHNTOVGGT-ZSHCYNCHSA-N 2 0 333.907 3.215 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133930 1384112176 /nfs/dbraw/zinc/11/21/76/1384112176.db2.gz NMQXYGKGEIGQTG-AGRFSFNASA-N 2 0 341.499 3.188 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccc(F)cc3F)CC1)C2 ZINC001169139610 1384112251 /nfs/dbraw/zinc/11/22/51/1384112251.db2.gz CARVKXDPGMTULQ-ZSHCYNCHSA-N 2 0 336.426 3.433 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH+]3CCc4ccccc4C3)CC1)C2 ZINC001169143401 1384113439 /nfs/dbraw/zinc/11/34/39/1384113439.db2.gz FLCQJKHAZLTRNF-ZBYYUNFXSA-N 2 0 339.527 3.134 20 0 EGADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144644 1384113818 /nfs/dbraw/zinc/11/38/18/1384113818.db2.gz LHYDICXMCWAYFN-ZBYYUNFXSA-N 3 0 341.543 3.456 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCc4ccccc4O3)CC1)C2 ZINC001169156746 1384116908 /nfs/dbraw/zinc/11/69/08/1384116908.db2.gz ZWFCDIMLNOCSNE-REPLKXPHSA-N 2 0 326.484 3.471 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC001308383917 1384123249 /nfs/dbraw/zinc/12/32/49/1384123249.db2.gz APPGKYSTYQOPDI-QUCCMNQESA-N 2 0 329.532 3.219 20 0 EGADRP CCN1CCC([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240472 1384126343 /nfs/dbraw/zinc/12/63/43/1384126343.db2.gz JBFALRBLPANUHD-IYARVYRRSA-N 2 0 333.495 3.382 20 0 EGADRP CC[NH+]1CCC(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001169256176 1384127790 /nfs/dbraw/zinc/12/77/90/1384127790.db2.gz YDFVZXPTKONHQT-NRFANRHFSA-N 2 0 345.506 3.350 20 0 EGADRP CC[NH+]1CCC(n2nc(C3CC[NH2+]CC3)c3ccc(F)cc32)CC1 ZINC001169265046 1384129339 /nfs/dbraw/zinc/12/93/39/1384129339.db2.gz LZCKZNCUDZTUDX-UHFFFAOYSA-N 2 0 330.451 3.299 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169302205 1384133951 /nfs/dbraw/zinc/13/39/51/1384133951.db2.gz YPBVGSGXIDSYFH-UHFFFAOYSA-N 2 0 344.499 3.428 20 0 EGADRP [NH3+]CCc1cn(-c2ccc(F)c(C[NH+]3CCCC3)c2)c2cccnc12 ZINC001169710014 1384176500 /nfs/dbraw/zinc/17/65/00/1384176500.db2.gz VCZDIPSBTKPKSM-UHFFFAOYSA-N 2 0 338.430 3.262 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169807969 1384187753 /nfs/dbraw/zinc/18/77/53/1384187753.db2.gz AHNHKBTYAJBKRJ-APWZRJJASA-N 2 0 349.494 3.015 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001169809963 1384187892 /nfs/dbraw/zinc/18/78/92/1384187892.db2.gz MUXFAIVISQWAGA-FXAWDEMLSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001169810611 1384188074 /nfs/dbraw/zinc/18/80/74/1384188074.db2.gz RIWPEFGPXWEVSV-UYAOXDASSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001169810607 1384188243 /nfs/dbraw/zinc/18/82/43/1384188243.db2.gz RIWPEFGPXWEVSV-ICSRJNTNSA-N 2 0 345.531 3.162 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001169941518 1384201981 /nfs/dbraw/zinc/20/19/81/1384201981.db2.gz XRMOHVGBSLNWKT-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2ccc3c(c2)COC32C[NH2+]C2)CC1(C)C ZINC001170454306 1384323484 /nfs/dbraw/zinc/32/34/84/1384323484.db2.gz PRWGQWRYAHOOOZ-UHFFFAOYSA-N 2 0 329.488 3.079 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527521 1384335561 /nfs/dbraw/zinc/33/55/61/1384335561.db2.gz ZFIPVTHYTPUUAO-NCXUSEDFSA-N 2 0 330.472 3.100 20 0 EGADRP COC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170529319 1384336343 /nfs/dbraw/zinc/33/63/43/1384336343.db2.gz KGZNBQKEMYNCQS-UAFMIMERSA-N 2 0 344.499 3.409 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170751739 1384378922 /nfs/dbraw/zinc/37/89/22/1384378922.db2.gz UYXXZOVPTFSXJC-HMTUNPETSA-N 2 0 337.552 3.480 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170785465 1384384791 /nfs/dbraw/zinc/38/47/91/1384384791.db2.gz MNBKBMWKKXFFJQ-IEBWSBKVSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170817474 1384390891 /nfs/dbraw/zinc/39/08/91/1384390891.db2.gz NCJOYVUMJOURJK-XLIONFOSSA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820115 1384391564 /nfs/dbraw/zinc/39/15/64/1384391564.db2.gz WYPJDIHMXAFQRM-HOHWPDKRSA-N 2 0 349.563 3.339 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170844142 1384397293 /nfs/dbraw/zinc/39/72/93/1384397293.db2.gz IDKWJOKKEZUNPW-INIZCTEOSA-N 2 0 325.294 3.238 20 0 EGADRP CCC[N@H+](CCC[NH3+])[C@H]1CCc2ccc(Br)cc2C1 ZINC001170847714 1384397888 /nfs/dbraw/zinc/39/78/88/1384397888.db2.gz FNABCKQKAMOPEK-INIZCTEOSA-N 2 0 325.294 3.367 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862182 1384400939 /nfs/dbraw/zinc/40/09/39/1384400939.db2.gz JQZHWNFYNPBJAJ-NLWGTHIKSA-N 2 0 345.531 3.100 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]Cc1ccsc1)c1ccccc1 ZINC001170869006 1384401902 /nfs/dbraw/zinc/40/19/02/1384401902.db2.gz YREOOCGOHVRMMU-GOSISDBHSA-N 2 0 345.512 3.037 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF)CC[N@@H+]1C ZINC001170870463 1384401934 /nfs/dbraw/zinc/40/19/34/1384401934.db2.gz HKSWRQPFIQGXMH-OKZBNKHCSA-N 2 0 343.531 3.121 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ncc(C(F)(F)F)cc1-c1ccccc1F ZINC001170896999 1384407515 /nfs/dbraw/zinc/40/75/15/1384407515.db2.gz JIRKGKFQVUGYET-CQSZACIVSA-N 2 0 342.340 3.342 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(Cl)nc2cccc(Br)c21 ZINC001170901052 1384407855 /nfs/dbraw/zinc/40/78/55/1384407855.db2.gz VBSCEAIEZJVVBA-LBPRGKRZSA-N 2 0 343.656 3.086 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171068044 1384440818 /nfs/dbraw/zinc/44/08/18/1384440818.db2.gz AJKSBUCYGQBNLF-IAGOWNOFSA-N 2 0 349.510 3.071 20 0 EGADRP C[C@H](CCCC[NH2+]CCCF)NC(=O)c1sccc1C[NH+](C)C ZINC001171069802 1384441252 /nfs/dbraw/zinc/44/12/52/1384441252.db2.gz VMXZAVQDTYVNAI-CQSZACIVSA-N 2 0 343.512 3.048 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCCCC2)CC1 ZINC001316602911 1384470810 /nfs/dbraw/zinc/47/08/10/1384470810.db2.gz AJSLHXFDZCEYLO-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171236017 1384476761 /nfs/dbraw/zinc/47/67/61/1384476761.db2.gz JYQOQUPFWLIGQA-KRWDZBQOSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171247711 1384477589 /nfs/dbraw/zinc/47/75/89/1384477589.db2.gz NLTVMIDQMPNYCG-ZWKOTPCHSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248911 1384477945 /nfs/dbraw/zinc/47/79/45/1384477945.db2.gz YKKPTSIDXOSCMF-XLIONFOSSA-N 2 0 349.563 3.482 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171253327 1384479326 /nfs/dbraw/zinc/47/93/26/1384479326.db2.gz CBHXINAOHGCGOH-MRXNPFEDSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)(C)Oc1cc[nH+]c(NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001171288653 1384486470 /nfs/dbraw/zinc/48/64/70/1384486470.db2.gz OSGLSSGNXGQBMX-UHFFFAOYSA-N 2 0 340.471 3.281 20 0 EGADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171325854 1384495155 /nfs/dbraw/zinc/49/51/55/1384495155.db2.gz FGMPUWXFNGZQOA-OWCLPIDISA-N 2 0 348.918 3.480 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171360223 1384501880 /nfs/dbraw/zinc/50/18/80/1384501880.db2.gz XYGFHILHIMUYFC-WMZOPIPTSA-N 2 0 327.557 3.273 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)CC2)cc[nH+]1 ZINC001171496544 1384542102 /nfs/dbraw/zinc/54/21/02/1384542102.db2.gz DELRIESNKJYROQ-QGZVFWFLSA-N 2 0 343.421 3.348 20 0 EGADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171522280 1384549411 /nfs/dbraw/zinc/54/94/11/1384549411.db2.gz VNMOCJWHXRCMIZ-IHRRRGAJSA-N 2 0 326.406 3.424 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171537536 1384555712 /nfs/dbraw/zinc/55/57/12/1384555712.db2.gz DSKVHJFYMFSIJH-ICSRJNTNSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618650 1384581740 /nfs/dbraw/zinc/58/17/40/1384581740.db2.gz LSYOMGVDHMOXIG-MRXNPFEDSA-N 2 0 337.552 3.314 20 0 EGADRP COc1cc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc(OC)c1 ZINC001171620125 1384582329 /nfs/dbraw/zinc/58/23/29/1384582329.db2.gz UKYKQOCPDXBIRA-UHFFFAOYSA-N 2 0 334.504 3.487 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC001171626033 1384584743 /nfs/dbraw/zinc/58/47/43/1384584743.db2.gz SWNLEZGMVOPEHF-UHFFFAOYSA-N 3 0 330.520 3.291 20 0 EGADRP Cc1c(C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)ccc2c[nH+]cn21 ZINC001171629288 1384585758 /nfs/dbraw/zinc/58/57/58/1384585758.db2.gz KCWHIDNOIXYHNG-OAHLLOKOSA-N 2 0 342.487 3.321 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)ccc2c[nH+]cn21 ZINC001171629595 1384585924 /nfs/dbraw/zinc/58/59/24/1384585924.db2.gz PUBYBDHIMFIZHP-KVEVGEHQSA-N 2 0 348.878 3.273 20 0 EGADRP COC(=O)c1ccccc1CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171630974 1384586692 /nfs/dbraw/zinc/58/66/92/1384586692.db2.gz SHGIYXCSXKEYTK-UHFFFAOYSA-N 2 0 332.488 3.257 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674280 1384598224 /nfs/dbraw/zinc/59/82/24/1384598224.db2.gz KJDLUOUUEOQYMB-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1C[C@H](n2c3ccccc3nc2CC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171724927 1384613725 /nfs/dbraw/zinc/61/37/25/1384613725.db2.gz FHRLQGFVTOWNKW-AEFFLSMTSA-N 2 0 334.467 3.373 20 0 EGADRP C[C@@H]1C[C@@H](N2CCC3(CC2)CC[NH+](C)CC3)C[N@@H+]1Cc1ccccc1 ZINC001171760655 1384627159 /nfs/dbraw/zinc/62/71/59/1384627159.db2.gz YYCZKPOEDWODST-TZIWHRDSSA-N 2 0 341.543 3.457 20 0 EGADRP C[NH2+]CCc1c(C)nn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC001171759844 1384627268 /nfs/dbraw/zinc/62/72/68/1384627268.db2.gz NPXUPOABXRALOJ-DNVCBOLYSA-N 2 0 326.488 3.097 20 0 EGADRP COc1cccc(C2([NH3+])CC[NH+]([C@H]3Cc4cccc(F)c4C3)CC2)c1 ZINC001171788636 1384637824 /nfs/dbraw/zinc/63/78/24/1384637824.db2.gz TZNZCEJJPDMQTH-KRWDZBQOSA-N 2 0 340.442 3.252 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829804 1384653581 /nfs/dbraw/zinc/65/35/81/1384653581.db2.gz OHZIESNFJGBFIV-INIZCTEOSA-N 2 0 339.524 3.240 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171924769 1384683947 /nfs/dbraw/zinc/68/39/47/1384683947.db2.gz UETCRXQWIPLLBS-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CC1(C)C[C@H](N2C[C@@H](F)C[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976250 1384700651 /nfs/dbraw/zinc/70/06/51/1384700651.db2.gz JOJBJYGXOWJWLC-GBESFXJTSA-N 2 0 334.479 3.082 20 0 EGADRP CC1(C)C[C@@H]([NH2+]C2(CO)CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171974662 1384700956 /nfs/dbraw/zinc/70/09/56/1384700956.db2.gz IOYNWPLTRNSGMK-SFHVURJKSA-N 2 0 348.556 3.277 20 0 EGADRP COCCN(CCOC)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976080 1384701127 /nfs/dbraw/zinc/70/11/27/1384701127.db2.gz HYGYQOIOLATRFH-LJQANCHMSA-N 2 0 334.504 3.024 20 0 EGADRP COCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC001171977471 1384702257 /nfs/dbraw/zinc/70/22/57/1384702257.db2.gz BNDNBVHKUPZSRX-LJQANCHMSA-N 2 0 346.515 3.215 20 0 EGADRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985976 1384703247 /nfs/dbraw/zinc/70/32/47/1384703247.db2.gz DWKMLODEDUQBTD-ACRUOGEOSA-N 2 0 341.543 3.456 20 0 EGADRP COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989901 1384707204 /nfs/dbraw/zinc/70/72/04/1384707204.db2.gz ITWIEILVLMHKQI-WIYYLYMNSA-N 2 0 344.499 3.315 20 0 EGADRP c1nc2c(n1[C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C[NH2+]CC2 ZINC001172069866 1384718369 /nfs/dbraw/zinc/71/83/69/1384718369.db2.gz UXGZMRAELUSFSR-REPLKXPHSA-N 2 0 336.483 3.287 20 0 EGADRP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC001172075115 1384720244 /nfs/dbraw/zinc/72/02/44/1384720244.db2.gz NZDQQTZQYOQFSM-AYWYSENESA-N 2 0 327.516 3.208 20 0 EGADRP CN(CCC[NH+](C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078558 1384721783 /nfs/dbraw/zinc/72/17/83/1384721783.db2.gz IGLQAPZMVOUFNI-WKCHPHFGSA-N 2 0 329.532 3.456 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001172103417 1384726521 /nfs/dbraw/zinc/72/65/21/1384726521.db2.gz ULCVIPFWMDOHGC-WKCHPHFGSA-N 2 0 345.506 3.395 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC3(CCC[NH+]3CC3CC3)CC1)C2 ZINC001172115457 1384731383 /nfs/dbraw/zinc/73/13/83/1384731383.db2.gz BJBMWJFEWUJSFA-ACDBMABISA-N 2 0 331.548 3.342 20 0 EGADRP Cc1ccccc1C[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172113418 1384731469 /nfs/dbraw/zinc/73/14/69/1384731469.db2.gz GZDPZETVINUTGO-XSDIEEQYSA-N 2 0 327.516 3.174 20 0 EGADRP Cc1ccccc1C[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172113415 1384731791 /nfs/dbraw/zinc/73/17/91/1384731791.db2.gz GZDPZETVINUTGO-BURNTYAHSA-N 2 0 327.516 3.174 20 0 EGADRP COc1ccccc1C[N@@H+](C1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172221676 1384750611 /nfs/dbraw/zinc/75/06/11/1384750611.db2.gz YIHCJXZDGJDZLA-LJRDSGNISA-N 2 0 344.499 3.477 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCc2ccccc2C(F)(F)F)CC1 ZINC001172247552 1384755677 /nfs/dbraw/zinc/75/56/77/1384755677.db2.gz MGNZENTUSSWUEK-UHFFFAOYSA-N 2 0 344.421 3.338 20 0 EGADRP Cc1cc(N2CC[NH+]([C@@H]3COC(C)(C)C3)CC2)c2ccccc2[nH+]1 ZINC001172284083 1384759088 /nfs/dbraw/zinc/75/90/88/1384759088.db2.gz OOVMEPRMQRROTN-INIZCTEOSA-N 2 0 325.456 3.233 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172376443 1384780496 /nfs/dbraw/zinc/78/04/96/1384780496.db2.gz UHIZKGNUVRKQLQ-SQEGATDGSA-N 2 0 334.548 3.491 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)C1 ZINC001172381782 1384781998 /nfs/dbraw/zinc/78/19/98/1384781998.db2.gz ICCAKCBXLHFXOB-SFNKJDCFSA-N 2 0 336.520 3.161 20 0 EGADRP CC1CC[NH+](CC(=O)NC[C@H]([NH2+]CC2CCCCCC2)C2CC2)CC1 ZINC001317027101 1384794328 /nfs/dbraw/zinc/79/43/28/1384794328.db2.gz JCGLNKRANRICDV-FQEVSTJZSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)COCC[C@@H](C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172468045 1384798997 /nfs/dbraw/zinc/79/89/97/1384798997.db2.gz VEDHYZNORZAGHT-MSOLQXFVSA-N 2 0 340.552 3.449 20 0 EGADRP c1ccc([C@@H]2CCC[C@@H]([NH2+]CC3CC[NH+](C4COC4)CC3)C2)cc1 ZINC001172547773 1384810341 /nfs/dbraw/zinc/81/03/41/1384810341.db2.gz YOEZRBBDWIIIJR-WOJBJXKFSA-N 2 0 328.500 3.413 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001317041107 1384814383 /nfs/dbraw/zinc/81/43/83/1384814383.db2.gz TWTFUMGHRHQNEC-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001317092903 1384854368 /nfs/dbraw/zinc/85/43/68/1384854368.db2.gz JZRFICYKFVFUSS-MISYRCLQSA-N 2 0 343.515 3.169 20 0 EGADRP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2 ZINC001172843511 1384863617 /nfs/dbraw/zinc/86/36/17/1384863617.db2.gz SRQUPHOPUMETIK-ZWKOTPCHSA-N 2 0 347.503 3.032 20 0 EGADRP CO[C@@H]1CCC[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001172942395 1384884696 /nfs/dbraw/zinc/88/46/96/1384884696.db2.gz OURVHINMCPMPIQ-VQTJNVASSA-N 2 0 343.515 3.327 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C1 ZINC001173086246 1384910863 /nfs/dbraw/zinc/91/08/63/1384910863.db2.gz SOIBHCQTEBBPDJ-FVQBIDKESA-N 2 0 342.405 3.400 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cn(CC(F)(F)F)cn2)CC1 ZINC001173106057 1384915484 /nfs/dbraw/zinc/91/54/84/1384915484.db2.gz FXOAHWZNCFLAJT-UHFFFAOYSA-N 2 0 332.414 3.188 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccnc(OCC3CCC3)n2)CC1 ZINC001173106401 1384915523 /nfs/dbraw/zinc/91/55/23/1384915523.db2.gz NUYOFFBQHOFBKZ-UHFFFAOYSA-N 2 0 346.519 3.398 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CO)Cc2ccccc2Cl)CC1 ZINC001173104808 1384915564 /nfs/dbraw/zinc/91/55/64/1384915564.db2.gz WIMSPNQLKCXPLP-LXPRWKDFSA-N 2 0 338.923 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC2CCC3(CCC(=O)N3)CC2)CC1 ZINC001173103266 1384915831 /nfs/dbraw/zinc/91/58/31/1384915831.db2.gz GYKPTQYIDFZTKR-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001173107737 1384916295 /nfs/dbraw/zinc/91/62/95/1384916295.db2.gz KLHNKFRCQHEZIL-CGZBRXJRSA-N 2 0 332.488 3.241 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC1 ZINC001173111296 1384916957 /nfs/dbraw/zinc/91/69/57/1384916957.db2.gz VCYVADMBBFPVFD-MYKUNDNFSA-N 2 0 341.499 3.235 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)CC1 ZINC001173114050 1384917645 /nfs/dbraw/zinc/91/76/45/1384917645.db2.gz UNPFVPLTDJHXOL-QLOJAFMTSA-N 2 0 344.499 3.412 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC001173113571 1384917739 /nfs/dbraw/zinc/91/77/39/1384917739.db2.gz VGOWBYJPCBAJMX-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)CC1 ZINC001173114044 1384917816 /nfs/dbraw/zinc/91/78/16/1384917816.db2.gz UEYNPTOXISFGOJ-UHFFFAOYSA-N 2 0 349.563 3.362 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3cc(OC)ccn3)C2)CC1 ZINC001173113251 1384917910 /nfs/dbraw/zinc/91/79/10/1384917910.db2.gz IQRFWKDBJGJWQH-TVPLGVNVSA-N 2 0 347.503 3.196 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317167422 1384932017 /nfs/dbraw/zinc/93/20/17/1384932017.db2.gz QHWMRZAUOYCCSL-IEBWSBKVSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H](CC(c1ccccc1)c1ccccc1)NC(=[NH2+])NCCCC[NH3+] ZINC001173206933 1384936184 /nfs/dbraw/zinc/93/61/84/1384936184.db2.gz YTYDOQMYZCZQIJ-QGZVFWFLSA-N 2 0 338.499 3.450 20 0 EGADRP CCCC[C@H](CC(C)C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001173257383 1384946424 /nfs/dbraw/zinc/94/64/24/1384946424.db2.gz ZNOVCUDMCJJQLK-GOSISDBHSA-N 2 0 348.535 3.116 20 0 EGADRP CC(C)(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001317196957 1384971221 /nfs/dbraw/zinc/97/12/21/1384971221.db2.gz JKAGEWUEZURFNB-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP Fc1cc2c(cc1F)CC([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001173474664 1384976485 /nfs/dbraw/zinc/97/64/85/1384976485.db2.gz AAQRIGAKINYDCS-UHFFFAOYSA-N 2 0 329.394 3.086 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201451 1384978283 /nfs/dbraw/zinc/97/82/83/1384978283.db2.gz AWNLSYWXYYAMMB-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)NC(=[NH2+])NCCCC[NH3+] ZINC001173539942 1384980985 /nfs/dbraw/zinc/98/09/85/1384980985.db2.gz UWLFFKCMEWFLKG-NSHDSACASA-N 2 0 331.291 3.167 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C)CC2 ZINC001173614322 1384988355 /nfs/dbraw/zinc/98/83/55/1384988355.db2.gz SUGIQIQWKKLVDT-YGWSWKRXSA-N 2 0 336.520 3.207 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001173647345 1384995022 /nfs/dbraw/zinc/99/50/22/1384995022.db2.gz BIOQBGCYZGTCSU-UHOSZYNNSA-N 2 0 332.488 3.205 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001173649826 1384996051 /nfs/dbraw/zinc/99/60/51/1384996051.db2.gz IDBIFWIVZXOTSV-MJGOQNOKSA-N 2 0 336.520 3.353 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001173654715 1384996523 /nfs/dbraw/zinc/99/65/23/1384996523.db2.gz SSTLGYPHVBVVRN-GUDVDZBRSA-N 2 0 336.520 3.449 20 0 EGADRP C[C@@H]1CC([NH2+]C[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673474 1385001268 /nfs/dbraw/zinc/00/12/68/1385001268.db2.gz MMLMAYUDXURLNU-OAGGEKHMSA-N 2 0 339.524 3.094 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC001173713023 1385006890 /nfs/dbraw/zinc/00/68/90/1385006890.db2.gz DJRZQCAQYPREJD-HNNXBMFYSA-N 2 0 330.472 3.011 20 0 EGADRP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC001173713025 1385007194 /nfs/dbraw/zinc/00/71/94/1385007194.db2.gz DJRZQCAQYPREJD-OAHLLOKOSA-N 2 0 330.472 3.011 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C3CCC3)CC2)cc1 ZINC001173713675 1385007833 /nfs/dbraw/zinc/00/78/33/1385007833.db2.gz FMPZBRMWIXAIPY-INIZCTEOSA-N 2 0 344.499 3.258 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH+]2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001173716225 1385007866 /nfs/dbraw/zinc/00/78/66/1385007866.db2.gz UMVIXQYCZJUFFX-AWEZNQCLSA-N 2 0 332.488 3.385 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC001173716856 1385008234 /nfs/dbraw/zinc/00/82/34/1385008234.db2.gz IHSMLXPEGTWLCM-INIZCTEOSA-N 2 0 332.488 3.114 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CCCC2CC[NH+](C)CC2)cc1 ZINC001173719448 1385008343 /nfs/dbraw/zinc/00/83/43/1385008343.db2.gz IFROPLVIYGRMSP-INIZCTEOSA-N 2 0 332.488 3.116 20 0 EGADRP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173740402 1385012063 /nfs/dbraw/zinc/01/20/63/1385012063.db2.gz MIEHWASSEXHYJR-ZWKOTPCHSA-N 2 0 336.528 3.039 20 0 EGADRP CCOC(=O)C1CC[NH+](Cc2cccc(Nc3cc[nH+]cc3)c2)CC1 ZINC001173883617 1385024468 /nfs/dbraw/zinc/02/44/68/1385024468.db2.gz VBGWUXQHMLOZSA-UHFFFAOYSA-N 2 0 339.439 3.022 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc3ncsc3c2)CC1 ZINC001174364220 1385102649 /nfs/dbraw/zinc/10/26/49/1385102649.db2.gz ASNXMOVKGHETPR-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP C[C@H](CCCC[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880382 1385164090 /nfs/dbraw/zinc/16/40/90/1385164090.db2.gz DJOFCTKAPNCCCS-AEFFLSMTSA-N 2 0 341.515 3.018 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906730 1385168807 /nfs/dbraw/zinc/16/88/07/1385168807.db2.gz WWMBDNJCDBKXIL-PMEOWRCESA-N 2 0 337.552 3.338 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928842 1385171172 /nfs/dbraw/zinc/17/11/72/1385171172.db2.gz MGCBFMLQGSFXHA-MRXNPFEDSA-N 2 0 337.508 3.410 20 0 EGADRP Cc1ccccc1CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175047776 1385186064 /nfs/dbraw/zinc/18/60/64/1385186064.db2.gz BSCSZDZZRYQJSN-LJQANCHMSA-N 2 0 347.547 3.144 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(Cl)s1)NC(=O)CC[NH+](C)C ZINC001175047747 1385186117 /nfs/dbraw/zinc/18/61/17/1385186117.db2.gz BEBGSZIRWLXFEG-CYBMUJFWSA-N 2 0 345.940 3.118 20 0 EGADRP CCOc1ccc(F)cc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001175081606 1385191618 /nfs/dbraw/zinc/19/16/18/1385191618.db2.gz JYHKDQOTQZYZME-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C/c1ccccc1)[NH+](C)C ZINC001317513024 1385226255 /nfs/dbraw/zinc/22/62/55/1385226255.db2.gz RCZOBWXRZVMODE-ZCBOBATRSA-N 2 0 343.515 3.011 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC001175257290 1385231593 /nfs/dbraw/zinc/23/15/93/1385231593.db2.gz YJUCUHLWAKJIOW-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257207 1385231725 /nfs/dbraw/zinc/23/17/25/1385231725.db2.gz WUTGSVWTPJJNDY-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273985 1385237591 /nfs/dbraw/zinc/23/75/91/1385237591.db2.gz ZDZJVCVLFBDJTN-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP COc1ccc(C[C@@H](C)[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001335950109 1388974140 /nfs/dbraw/zinc/97/41/40/1388974140.db2.gz PIFWTQSYGURLMM-CQSZACIVSA-N 2 0 330.497 3.465 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001175785423 1385405068 /nfs/dbraw/zinc/40/50/68/1385405068.db2.gz AKCHNDKVVSDLBU-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001175786118 1385405767 /nfs/dbraw/zinc/40/57/67/1385405767.db2.gz GNKJPEPTNOFSDC-CVEARBPZSA-N 2 0 347.494 3.028 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001175787345 1385405841 /nfs/dbraw/zinc/40/58/41/1385405841.db2.gz UQYZWUPMVBXHJF-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC001317711807 1385413585 /nfs/dbraw/zinc/41/35/85/1385413585.db2.gz UJCWBFOZYXJDNP-FQEVSTJZSA-N 2 0 345.531 3.307 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176024472 1385464053 /nfs/dbraw/zinc/46/40/53/1385464053.db2.gz OPICHMNLKUEOBN-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176112347 1385487944 /nfs/dbraw/zinc/48/79/44/1385487944.db2.gz PZQKAOPUZIEDGJ-LAUBAEHRSA-N 2 0 345.531 3.138 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317805129 1385501217 /nfs/dbraw/zinc/50/12/17/1385501217.db2.gz JAVDFFKBSMJCMB-MJGOQNOKSA-N 2 0 345.531 3.236 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184997 1385505205 /nfs/dbraw/zinc/50/52/05/1385505205.db2.gz RDUZGRIMKIZGPT-XFHJGTJQSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CCCC[NH+](C)C ZINC001176230426 1385521099 /nfs/dbraw/zinc/52/10/99/1385521099.db2.gz IPNIIXRCTFWXJE-MRXNPFEDSA-N 2 0 339.549 3.245 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231810 1385522477 /nfs/dbraw/zinc/52/24/77/1385522477.db2.gz XIAMZVDMASBXBE-KRWDZBQOSA-N 2 0 327.557 3.419 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176257072 1385529492 /nfs/dbraw/zinc/52/94/92/1385529492.db2.gz FMTOZXYRCNRDNB-IBGZPJMESA-N 2 0 347.547 3.492 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001176319608 1385550253 /nfs/dbraw/zinc/55/02/53/1385550253.db2.gz ZRVIDRWIDXRURI-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP CCC(CC)C[N@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001317869479 1385552092 /nfs/dbraw/zinc/55/20/92/1385552092.db2.gz CQGZTDSEVDXDQT-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2ccc(CC[NH+](C)C)cc2)cn1 ZINC001176360657 1385564226 /nfs/dbraw/zinc/56/42/26/1385564226.db2.gz VMWKCIDNCBRGLQ-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001176564338 1385626288 /nfs/dbraw/zinc/62/62/88/1385626288.db2.gz OJMBRUVQECVOTO-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563964 1385626648 /nfs/dbraw/zinc/62/66/48/1385626648.db2.gz IWJWQTIAGLUPIZ-OALUTQOASA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574504 1385629145 /nfs/dbraw/zinc/62/91/45/1385629145.db2.gz SLBBHQCRHSMHKZ-OALUTQOASA-N 2 0 345.531 3.416 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574095 1385629240 /nfs/dbraw/zinc/62/92/40/1385629240.db2.gz QVIAJZRXHYZHTN-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)C[NH+]1CCCC1 ZINC001176575346 1385629691 /nfs/dbraw/zinc/62/96/91/1385629691.db2.gz ZNFFYGKGKLLMEZ-XBMUEBEBSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176592221 1385635776 /nfs/dbraw/zinc/63/57/76/1385635776.db2.gz XGTODMLZKWSQDM-OALUTQOASA-N 2 0 345.531 3.416 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001318301039 1385645086 /nfs/dbraw/zinc/64/50/86/1385645086.db2.gz KJGACIAHFHYOFS-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176738235 1385677261 /nfs/dbraw/zinc/67/72/61/1385677261.db2.gz PTWYRLVJQFMHKY-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318410589 1385678631 /nfs/dbraw/zinc/67/86/31/1385678631.db2.gz UIFNXFMVKKTIAW-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318410587 1385678711 /nfs/dbraw/zinc/67/87/11/1385678711.db2.gz UIFNXFMVKKTIAW-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176753724 1385684265 /nfs/dbraw/zinc/68/42/65/1385684265.db2.gz LRXWROPNSKOCFK-MOPGFXCFSA-N 2 0 339.568 3.418 20 0 EGADRP Cc1cc(C[NH2+]CCCNC(=O)c2cccc(C[NH+](C)C)c2)cs1 ZINC001176889772 1385734041 /nfs/dbraw/zinc/73/40/41/1385734041.db2.gz CHVMYRFGDSJLRL-UHFFFAOYSA-N 2 0 345.512 3.028 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001176991962 1385765527 /nfs/dbraw/zinc/76/55/27/1385765527.db2.gz GNEJUIFUMOFNHP-HXUWFJFHSA-N 2 0 345.531 3.280 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001176991965 1385766087 /nfs/dbraw/zinc/76/60/87/1385766087.db2.gz GOTUJDHHQPUPOC-HXUWFJFHSA-N 2 0 345.531 3.101 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001318968050 1385902359 /nfs/dbraw/zinc/90/23/59/1385902359.db2.gz AGFYIWOOGQPYNT-BZSNNMDCSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001177342384 1385921108 /nfs/dbraw/zinc/92/11/08/1385921108.db2.gz LXPXXAPMPTWKMV-LJQANCHMSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177416121 1385949288 /nfs/dbraw/zinc/94/92/88/1385949288.db2.gz UZXIVWBUDJTATI-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)C1 ZINC001177466941 1385967239 /nfs/dbraw/zinc/96/72/39/1385967239.db2.gz LTWOTLCPOGGVBH-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177488750 1385975659 /nfs/dbraw/zinc/97/56/59/1385975659.db2.gz KSFXFVXUCFXRCJ-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC001319187820 1385998267 /nfs/dbraw/zinc/99/82/67/1385998267.db2.gz VIIKYKQXYKILDC-CVEARBPZSA-N 2 0 344.503 3.353 20 0 EGADRP CCC1(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CCOCC1 ZINC001177668747 1386018917 /nfs/dbraw/zinc/01/89/17/1386018917.db2.gz CGYGCXPOKMZNKZ-HXUWFJFHSA-N 2 0 330.516 3.347 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001177737032 1386030322 /nfs/dbraw/zinc/03/03/22/1386030322.db2.gz HBLVKYXXSLZHDP-UHFFFAOYSA-N 2 0 330.394 3.449 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001319286373 1386043555 /nfs/dbraw/zinc/04/35/55/1386043555.db2.gz VNIFPRMZSZEMNH-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1)c1ccccc1F ZINC001319372808 1386087034 /nfs/dbraw/zinc/08/70/34/1386087034.db2.gz QYZKWNRCMDZALR-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC2)cc1 ZINC001319386953 1386097785 /nfs/dbraw/zinc/09/77/85/1386097785.db2.gz SZGINBGPRXZZPV-IBGZPJMESA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1F ZINC001178045276 1386115239 /nfs/dbraw/zinc/11/52/39/1386115239.db2.gz HVHLQAFQOUZAAB-APWZRJJASA-N 2 0 349.494 3.247 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001178045896 1386115673 /nfs/dbraw/zinc/11/56/73/1386115673.db2.gz YYIAEDQRYCSVFU-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001178045823 1386116024 /nfs/dbraw/zinc/11/60/24/1386116024.db2.gz WPFFROGXJDRIOA-LJQANCHMSA-N 2 0 335.536 3.237 20 0 EGADRP C[NH+](C)CCOc1ccc(CNc2ccc(CC[NH+](C)C)cc2)cc1 ZINC001178064276 1386120753 /nfs/dbraw/zinc/12/07/53/1386120753.db2.gz AWYZNZJXHJJGJB-UHFFFAOYSA-N 2 0 341.499 3.343 20 0 EGADRP Cc1cc(F)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001178291590 1386182047 /nfs/dbraw/zinc/18/20/47/1386182047.db2.gz ZJUFPNOMGOUREW-NRFANRHFSA-N 2 0 342.458 3.381 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178468220 1386226108 /nfs/dbraw/zinc/22/61/08/1386226108.db2.gz PXYLAURXPAGTAP-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178484345 1386231519 /nfs/dbraw/zinc/23/15/19/1386231519.db2.gz SVAFCHGNPISVTG-RBUKOAKNSA-N 2 0 337.552 3.317 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178490390 1386234471 /nfs/dbraw/zinc/23/44/71/1386234471.db2.gz LXIQCPCCSGUISR-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCCCCCC[NH2+]CCCF ZINC001178617692 1386263350 /nfs/dbraw/zinc/26/33/50/1386263350.db2.gz LOEXVGHMEFVQDM-UHFFFAOYSA-N 2 0 343.512 3.049 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693514 1386279451 /nfs/dbraw/zinc/27/94/51/1386279451.db2.gz UZDVBUHFLYKDHJ-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693603 1386280476 /nfs/dbraw/zinc/28/04/76/1386280476.db2.gz XITRGADLFJVZSN-HXUWFJFHSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001178698718 1386281715 /nfs/dbraw/zinc/28/17/15/1386281715.db2.gz RTWQYSKFWQGPLE-FXAWDEMLSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CCc1ccccc1)[NH+](C)C ZINC001178755202 1386294805 /nfs/dbraw/zinc/29/48/05/1386294805.db2.gz NWYVVLGMEQPBFJ-FQEVSTJZSA-N 2 0 347.547 3.082 20 0 EGADRP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178760161 1386296135 /nfs/dbraw/zinc/29/61/35/1386296135.db2.gz XGJQLGOCJTWCLR-SFHVURJKSA-N 2 0 327.557 3.275 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001319827635 1386321651 /nfs/dbraw/zinc/32/16/51/1386321651.db2.gz RGRWGXRBENPXBQ-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925850 1386350730 /nfs/dbraw/zinc/35/07/30/1386350730.db2.gz KYEAHLTYVHLEAA-NEPBSLMDSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001178938727 1386354998 /nfs/dbraw/zinc/35/49/98/1386354998.db2.gz KIVDILQWNLUHHC-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CC[C@@H](C(=O)N1CCC(CC[N@H+](C)C(C)C)CC1)[NH+](CC)CC ZINC001319885253 1386360560 /nfs/dbraw/zinc/36/05/60/1386360560.db2.gz KJKPCKUMGWWPSP-SFHVURJKSA-N 2 0 325.541 3.076 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212559 1386424267 /nfs/dbraw/zinc/42/42/67/1386424267.db2.gz PJKJWUZMAPKLLC-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234791 1386428007 /nfs/dbraw/zinc/42/80/07/1386428007.db2.gz ZVTLDYUAXCHZGT-DCQFVOAKSA-N 2 0 347.547 3.186 20 0 EGADRP CC1CC(C[NH2+][C@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C)C1 ZINC001179234053 1386428323 /nfs/dbraw/zinc/42/83/23/1386428323.db2.gz GUJSCPGQSTZODQ-NIAPBTPMSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC001179338145 1386455226 /nfs/dbraw/zinc/45/52/26/1386455226.db2.gz DDLCLRGPEXXCOW-APWZRJJASA-N 2 0 334.467 3.421 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC(C)C)C1 ZINC001179357413 1386461584 /nfs/dbraw/zinc/46/15/84/1386461584.db2.gz BDFYOGMONAYHAZ-SFHVURJKSA-N 2 0 325.541 3.031 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)CC[NH+](C)C)c1 ZINC001179464304 1386488786 /nfs/dbraw/zinc/48/87/86/1386488786.db2.gz PLHPEUAQDUCHET-SFHVURJKSA-N 2 0 333.520 3.274 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21)[NH+](C)C ZINC001179609106 1386530672 /nfs/dbraw/zinc/53/06/72/1386530672.db2.gz IBTIGHIJPMANBU-PMACEKPBSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001179621181 1386534051 /nfs/dbraw/zinc/53/40/51/1386534051.db2.gz LOIJJFOZCCMZQC-QPKOPYBWSA-N 2 0 338.398 3.204 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001320169274 1386545467 /nfs/dbraw/zinc/54/54/67/1386545467.db2.gz CNHCBICJOQFVQI-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC001320241895 1386562022 /nfs/dbraw/zinc/56/20/22/1386562022.db2.gz GRCCXIYWBYPHEV-LEWJYISDSA-N 2 0 329.532 3.156 20 0 EGADRP C[C@H](C(=O)NCCCCCC[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001179746061 1386569994 /nfs/dbraw/zinc/56/99/94/1386569994.db2.gz NIODYDLYSHUFNW-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)[NH+]1CCCCCC1 ZINC001179746523 1386571278 /nfs/dbraw/zinc/57/12/78/1386571278.db2.gz WMRMAIBGWWTVHI-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788142 1386585890 /nfs/dbraw/zinc/58/58/90/1386585890.db2.gz OERLNLRHYRRRQN-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179792370 1386587389 /nfs/dbraw/zinc/58/73/89/1386587389.db2.gz IEBGMCPPLFRDLQ-OALUTQOASA-N 2 0 337.552 3.460 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179792554 1386587786 /nfs/dbraw/zinc/58/77/86/1386587786.db2.gz ROFSPHCZAKFDNT-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001179958795 1386647663 /nfs/dbraw/zinc/64/76/63/1386647663.db2.gz NFQOZKLATFESKS-SXLOBPIMSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001179972250 1386653833 /nfs/dbraw/zinc/65/38/33/1386653833.db2.gz KMASSWZLLXIXRN-AOIWGVFYSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001320571318 1386654161 /nfs/dbraw/zinc/65/41/61/1386654161.db2.gz WDCAKXWFSIJSOM-HZPDHXFCSA-N 2 0 349.494 3.103 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001179983067 1386658092 /nfs/dbraw/zinc/65/80/92/1386658092.db2.gz KLBDYDHJCAQIKJ-GJYPPUQNSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001179988921 1386660034 /nfs/dbraw/zinc/66/00/34/1386660034.db2.gz PTXSBJVDYJFXKO-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001179989490 1386660137 /nfs/dbraw/zinc/66/01/37/1386660137.db2.gz ZVRZMPRLAZNFMP-KAMYIIQDSA-N 2 0 345.531 3.308 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180095954 1386697137 /nfs/dbraw/zinc/69/71/37/1386697137.db2.gz YHVIAUOUOUACBF-UHFFFAOYSA-N 2 0 333.520 3.185 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180211476 1386734890 /nfs/dbraw/zinc/73/48/90/1386734890.db2.gz IGTKJCWQBHAZPU-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@@H]1CCC[N@H+](CC)C1)CCC2 ZINC001320861717 1386740526 /nfs/dbraw/zinc/74/05/26/1386740526.db2.gz FDLSKJCCRQECFL-HOTGVXAUSA-N 2 0 348.487 3.464 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001180257751 1386748855 /nfs/dbraw/zinc/74/88/55/1386748855.db2.gz XKASAEUEBFAWJF-RYRKJORJSA-N 2 0 349.519 3.360 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001180260534 1386749335 /nfs/dbraw/zinc/74/93/35/1386749335.db2.gz ZVWONIZBIXILNE-FQEVSTJZSA-N 2 0 345.531 3.021 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001180264541 1386750590 /nfs/dbraw/zinc/75/05/90/1386750590.db2.gz IBSWQYKWWSUAIN-IBGZPJMESA-N 2 0 349.563 3.175 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)c1 ZINC001180274535 1386752298 /nfs/dbraw/zinc/75/22/98/1386752298.db2.gz JFPXMDWEVVLJET-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274644 1386752480 /nfs/dbraw/zinc/75/24/80/1386752480.db2.gz OSYMVVWLMWFIJB-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001180372687 1386777410 /nfs/dbraw/zinc/77/74/10/1386777410.db2.gz HIHAHXRMRVYINJ-CTWPCTMYSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)[NH+]1CCCC1 ZINC001180372844 1386777845 /nfs/dbraw/zinc/77/78/45/1386777845.db2.gz IFKUNGIWSXVUBJ-MSOLQXFVSA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001180372866 1386777930 /nfs/dbraw/zinc/77/79/30/1386777930.db2.gz JOUVWUADNKNQCW-IBSYWUHOSA-N 2 0 343.943 3.126 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)[NH+]1CCCC1 ZINC001180372845 1386777944 /nfs/dbraw/zinc/77/79/44/1386777944.db2.gz IFKUNGIWSXVUBJ-QZTJIDSGSA-N 2 0 343.531 3.121 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCC2)c1)C1CC[NH+](C2CC2)CC1 ZINC001321031815 1386788780 /nfs/dbraw/zinc/78/87/80/1386788780.db2.gz RQLKUZRXFVKGKT-UHFFFAOYSA-N 2 0 327.472 3.095 20 0 EGADRP CC[NH+]1CCC(CC2CCN(C(=O)C[N@H+](C)C3CCCC3)CC2)CC1 ZINC001180629273 1386852541 /nfs/dbraw/zinc/85/25/41/1386852541.db2.gz QXQYJXMQOOZTBX-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001181476272 1387001367 /nfs/dbraw/zinc/00/13/67/1387001367.db2.gz IYIQIDCBNCQFBB-YLJYHZDGSA-N 2 0 337.552 3.125 20 0 EGADRP CN(C)c1nc(Cl)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC001181514751 1387008020 /nfs/dbraw/zinc/00/80/20/1387008020.db2.gz NIOFHRDHNSYKBJ-ZDUSSCGKSA-N 2 0 342.940 3.026 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720468 1387044798 /nfs/dbraw/zinc/04/47/98/1387044798.db2.gz GCZUZLXRTDZBAX-SFHLNBCPSA-N 2 0 349.563 3.005 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N1CCC2(CCC[NH+]2CC2CC2)CC1 ZINC001181862708 1387065457 /nfs/dbraw/zinc/06/54/57/1387065457.db2.gz HMYRHMVOVGKDPA-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007348 1387093419 /nfs/dbraw/zinc/09/34/19/1387093419.db2.gz IQWLVZIGMBZZAU-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N[C@@]1(C)CCC[NH+](C)C1)c1ccccc1 ZINC001182238557 1387129005 /nfs/dbraw/zinc/12/90/05/1387129005.db2.gz XWCIQSSIOQZSLD-FPOVZHCZSA-N 2 0 345.531 3.450 20 0 EGADRP CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001322306284 1387151379 /nfs/dbraw/zinc/15/13/79/1387151379.db2.gz JABKXHDGQZNVOD-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)NC(C)(C)CC[NH+](C)C)C1 ZINC001182342820 1387153243 /nfs/dbraw/zinc/15/32/43/1387153243.db2.gz FUPMEYIMUJUZHK-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CC[C@H](C(=O)N1CCC(CC[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001698701467 1406343896 /nfs/dbraw/zinc/34/38/96/1406343896.db2.gz QCEZXAXQHAMCCW-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001322370926 1387173136 /nfs/dbraw/zinc/17/31/36/1387173136.db2.gz NJJGOQLEAMOMPY-VQTJNVASSA-N 2 0 349.563 3.317 20 0 EGADRP CN(C)c1c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc(F)c1F ZINC001336887619 1389196902 /nfs/dbraw/zinc/19/69/02/1389196902.db2.gz DHYJRULCQJIGMX-NUEKZKHPSA-N 2 0 337.458 3.193 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cnc(CC(F)(F)F)s3)C[C@H]2C1 ZINC001336889354 1389197308 /nfs/dbraw/zinc/19/73/08/1389197308.db2.gz SLJNQCLXICCDJN-YNEHKIRRSA-N 2 0 347.450 3.410 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001330499981 1389432182 /nfs/dbraw/zinc/43/21/82/1389432182.db2.gz PNGLRRNYELYIEJ-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CN3C[C@@H](C4CCCCC4)CC3=O)C[C@H]2C1 ZINC001337805532 1389448872 /nfs/dbraw/zinc/44/88/72/1389448872.db2.gz MSBAJRIZWDEHDS-YSTOQKLRSA-N 2 0 347.547 3.035 20 0 EGADRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001331562014 1389800623 /nfs/dbraw/zinc/80/06/23/1389800623.db2.gz WWORHSVSZJHFQB-APWZRJJASA-N 2 0 347.547 3.261 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001331818933 1389877985 /nfs/dbraw/zinc/87/79/85/1389877985.db2.gz ACFVDMIFWZUPCH-RLLQIKCJSA-N 2 0 343.515 3.192 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001332049800 1389958261 /nfs/dbraw/zinc/95/82/61/1389958261.db2.gz QZSYYMCNMMFUHR-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP [NH3+][C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCCCC1 ZINC001332451869 1390121562 /nfs/dbraw/zinc/12/15/62/1390121562.db2.gz UGZIRGUCRZVJFB-IBGZPJMESA-N 2 0 329.488 3.171 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H]([NH3+])CC(C)C ZINC001340074371 1390221086 /nfs/dbraw/zinc/22/10/86/1390221086.db2.gz JHQTYFVJFJFADN-KRWDZBQOSA-N 2 0 349.544 3.246 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001333465569 1390311384 /nfs/dbraw/zinc/31/13/84/1390311384.db2.gz LCQPNEFCXQLJGS-FQEVSTJZSA-N 2 0 339.458 3.355 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccccc1F ZINC001333467551 1390311881 /nfs/dbraw/zinc/31/18/81/1390311881.db2.gz VGSADSVUHWOXOR-MRXNPFEDSA-N 2 0 327.447 3.428 20 0 EGADRP CC[C@H](C(=O)NCc1ccc(C[NH2+]CC2CCCC2)cc1F)[NH+](C)C ZINC001333479654 1390314886 /nfs/dbraw/zinc/31/48/86/1390314886.db2.gz LDEZMNULBUHIJX-LJQANCHMSA-N 2 0 349.494 3.062 20 0 EGADRP C[C@H](CCNCc1cnn(C)c1C1CC1)[N@H+](C)Cc1ccccc1 ZINC001342978586 1390680026 /nfs/dbraw/zinc/68/00/26/1390680026.db2.gz HZYWRNOHHJOZHA-MRXNPFEDSA-N 2 0 326.488 3.298 20 0 EGADRP Cc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2ccnn2C)c1 ZINC001349326162 1391321510 /nfs/dbraw/zinc/32/15/10/1391321510.db2.gz URVSSISPARIKQB-UHFFFAOYSA-N 2 0 338.499 3.361 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001698841684 1406538725 /nfs/dbraw/zinc/53/87/25/1406538725.db2.gz SAZPFBSZZBMNMN-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001479889352 1392460291 /nfs/dbraw/zinc/46/02/91/1392460291.db2.gz ZUTQDJIGTWSJCR-FQEVSTJZSA-N 2 0 345.531 3.004 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001698862703 1406574547 /nfs/dbraw/zinc/57/45/47/1406574547.db2.gz UHTLGLXHFKJTJS-QGZVFWFLSA-N 2 0 341.499 3.118 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001480183361 1392614860 /nfs/dbraw/zinc/61/48/60/1392614860.db2.gz RHXURRZSLNSDMW-YQQQUEKLSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCC2)CC1 ZINC001480328479 1392688227 /nfs/dbraw/zinc/68/82/27/1392688227.db2.gz UKMATZBDUCLHON-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001480560608 1392792143 /nfs/dbraw/zinc/79/21/43/1392792143.db2.gz AVYBNFPVULTBOT-SFHVURJKSA-N 2 0 345.531 3.018 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C\Cl)C2)c1 ZINC001480710243 1392872639 /nfs/dbraw/zinc/87/26/39/1392872639.db2.gz PLBGAUYSQLFPCU-DNMUNIMJSA-N 2 0 349.906 3.131 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480733635 1392897296 /nfs/dbraw/zinc/89/72/96/1392897296.db2.gz QEQZMTZRTTYUGL-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001480814087 1392951211 /nfs/dbraw/zinc/95/12/11/1392951211.db2.gz SUJFVCWXQKQVJH-QZTJIDSGSA-N 2 0 331.504 3.108 20 0 EGADRP C[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(F)c1)[NH+]1CCCCCC1 ZINC001480920789 1393021243 /nfs/dbraw/zinc/02/12/43/1393021243.db2.gz XIKWNSVYAOLQEY-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490558613 1394259430 /nfs/dbraw/zinc/25/94/30/1394259430.db2.gz LQHJTVZHUHRLCD-OXQOHEQNSA-N 2 0 339.483 3.043 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491109842 1394431466 /nfs/dbraw/zinc/43/14/66/1394431466.db2.gz NHBBGOITUQMOPL-ROUUACIJSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001481818536 1394544740 /nfs/dbraw/zinc/54/47/40/1394544740.db2.gz JNALVOUSRREIMU-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[NH2+]C[C@]1(NC(=O)CCC[NH+]2CCCC2)CCCC[C@H]1C ZINC001481965286 1394627555 /nfs/dbraw/zinc/62/75/55/1394627555.db2.gz WKLNTJVAXFSJCA-UYAOXDASSA-N 2 0 337.552 3.173 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001481985132 1394646946 /nfs/dbraw/zinc/64/69/46/1394646946.db2.gz QBIRQAJLBXVESK-PMACEKPBSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001482100345 1394747093 /nfs/dbraw/zinc/74/70/93/1394747093.db2.gz DDJSBIUMAARQOH-UYAOXDASSA-N 2 0 345.531 3.018 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CCCC1)[NH+](C)C ZINC001482222278 1394815642 /nfs/dbraw/zinc/81/56/42/1394815642.db2.gz JZWKCRPKXDFOBU-LJQANCHMSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001482477779 1395032497 /nfs/dbraw/zinc/03/24/97/1395032497.db2.gz IDZPRKZHDHWSAK-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001715191331 1419922930 /nfs/dbraw/zinc/92/29/30/1419922930.db2.gz YQJPOZJTJJHHRI-ULQDDVLXSA-N 2 0 325.541 3.170 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)cc1C ZINC001483971715 1395169964 /nfs/dbraw/zinc/16/99/64/1395169964.db2.gz DLRNFNIKCFSONL-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001484558475 1395440804 /nfs/dbraw/zinc/44/08/04/1395440804.db2.gz HCISQHDTBUMOEQ-LPHOPBHVSA-N 2 0 333.520 3.196 20 0 EGADRP C[N@H+](CCNC(=O)CCC[NH+]1CCCC1)CC1CCC(C)(C)CC1 ZINC001492873963 1396327537 /nfs/dbraw/zinc/32/75/37/1396327537.db2.gz YNPHMMSBNCYXMI-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156743 1396388997 /nfs/dbraw/zinc/38/89/97/1396388997.db2.gz IMIHKPJOCCMWKH-RTBURBONSA-N 2 0 345.531 3.178 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001494171133 1396395879 /nfs/dbraw/zinc/39/58/79/1396395879.db2.gz GVOCHDQEEGFTNZ-FQEVSTJZSA-N 2 0 345.531 3.007 20 0 EGADRP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001689879270 1404181670 /nfs/dbraw/zinc/18/16/70/1404181670.db2.gz OCTMAYHCMAVQFE-AZUAARDMSA-N 2 0 347.547 3.389 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001690455565 1404585002 /nfs/dbraw/zinc/58/50/02/1404585002.db2.gz VVDLTHIBABFOEH-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001690504603 1404616702 /nfs/dbraw/zinc/61/67/02/1404616702.db2.gz GCGTXUKTXZJNMC-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CCc1ccc(C[NH2+]C2CCC(NC(=O)[C@H](CC)[NH+](C)C)CC2)cc1 ZINC001690544183 1404628214 /nfs/dbraw/zinc/62/82/14/1404628214.db2.gz BVUXZDHSBJBYCS-MHJFOBGBSA-N 2 0 345.531 3.106 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691154051 1405088224 /nfs/dbraw/zinc/08/82/24/1405088224.db2.gz JEUCGCPVSNIAKR-LPHOPBHVSA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001691441365 1405271454 /nfs/dbraw/zinc/27/14/54/1405271454.db2.gz OPSCDYYFAZVQEX-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1CCCC1)C(=O)C[NH+](C)CC(C)(C)C ZINC001691661159 1405393897 /nfs/dbraw/zinc/39/38/97/1405393897.db2.gz NHLPFYWZFIIDJH-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001691850674 1405567335 /nfs/dbraw/zinc/56/73/35/1405567335.db2.gz BQMDJPBMKPNRCN-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001691860469 1405577731 /nfs/dbraw/zinc/57/77/31/1405577731.db2.gz HGZQORDUZAYSBI-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001732088042 1428351184 /nfs/dbraw/zinc/35/11/84/1428351184.db2.gz GAYNWIRAIRASGD-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001732345192 1428542560 /nfs/dbraw/zinc/54/25/60/1428542560.db2.gz BDPRXSJWAHSDNA-QGZVFWFLSA-N 2 0 345.531 3.136 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2cccc(F)c2)CCCC1 ZINC001732399580 1428565825 /nfs/dbraw/zinc/56/58/25/1428565825.db2.gz KSBAZSWOXMZHPP-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001699190834 1412563171 /nfs/dbraw/zinc/56/31/71/1412563171.db2.gz WPBPHMLRTKBMLI-UYAOXDASSA-N 2 0 345.531 3.306 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001699204515 1412572473 /nfs/dbraw/zinc/57/24/73/1412572473.db2.gz MCSCSRSLBYYBJH-QGZVFWFLSA-N 2 0 333.520 3.164 20 0 EGADRP C[N@H+](CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001699482169 1412876972 /nfs/dbraw/zinc/87/69/72/1412876972.db2.gz PLAKSTDQNSUMQQ-AZUAARDMSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699487632 1412883774 /nfs/dbraw/zinc/88/37/74/1412883774.db2.gz MBTJUFKIMYYJPB-UXHICEINSA-N 2 0 345.531 3.282 20 0 EGADRP CCc1ccccc1C[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001699775212 1413184665 /nfs/dbraw/zinc/18/46/65/1413184665.db2.gz YUTLSWDWNSGMRT-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001700098752 1413515348 /nfs/dbraw/zinc/51/53/48/1413515348.db2.gz JHXGYULMUNPDAR-QGZVFWFLSA-N 2 0 331.504 3.094 20 0 EGADRP CC1CC(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)C1 ZINC001700293945 1413752620 /nfs/dbraw/zinc/75/26/20/1413752620.db2.gz LOCXDPQKDXLKCI-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001700323791 1413791754 /nfs/dbraw/zinc/79/17/54/1413791754.db2.gz MJURHXYLSFFWJS-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](CCC(=O)N1CCC[C@H]1C[N@H+](C)CCC1CC1)C1CCCCC1 ZINC001700355553 1413854901 /nfs/dbraw/zinc/85/49/01/1413854901.db2.gz JPXRAKMQUZYIGH-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)c1sccc1C[NH+](C)C)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001700723793 1414385032 /nfs/dbraw/zinc/38/50/32/1414385032.db2.gz PBODAYJOHNFFBG-QGZVFWFLSA-N 2 0 349.544 3.050 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001732596135 1428832621 /nfs/dbraw/zinc/83/26/21/1428832621.db2.gz YGCWQKUNELFPDT-GOSISDBHSA-N 2 0 339.568 3.466 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732702581 1428916926 /nfs/dbraw/zinc/91/69/26/1428916926.db2.gz OEMRSLDOMMCWEE-SJORKVTESA-N 2 0 331.504 3.025 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001732703714 1428917351 /nfs/dbraw/zinc/91/73/51/1428917351.db2.gz YVHMBWDBZSFYLS-DLBZAZTESA-N 2 0 331.504 3.025 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713062607 1417620000 /nfs/dbraw/zinc/62/00/00/1417620000.db2.gz GCHYHKGAGCYCHZ-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713506170 1418228713 /nfs/dbraw/zinc/22/87/13/1418228713.db2.gz PQTIOCYWRGKSBD-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001713541783 1418303638 /nfs/dbraw/zinc/30/36/38/1418303638.db2.gz NUNRJPIMHIPBGB-MOPGFXCFSA-N 2 0 343.515 3.062 20 0 EGADRP C[NH+](C)C1(C(=O)NCC[N@H+](CC2CCCCCC2)C2CC2)CCC1 ZINC001713558054 1418352326 /nfs/dbraw/zinc/35/23/26/1418352326.db2.gz WTKLGICHPGAABI-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[C@@H](C)C1 ZINC001713711228 1418470689 /nfs/dbraw/zinc/47/06/89/1418470689.db2.gz DVAVVLARVKLIHJ-WCIQWLHISA-N 2 0 349.563 3.220 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001713884729 1418681054 /nfs/dbraw/zinc/68/10/54/1418681054.db2.gz CWBKSSJDZWHKNS-FQEVSTJZSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C)c(C)c1 ZINC001714117542 1418921235 /nfs/dbraw/zinc/92/12/35/1418921235.db2.gz YUFSLRFIPBDSHF-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001714307046 1419086710 /nfs/dbraw/zinc/08/67/10/1419086710.db2.gz QGCURQPLVSKXTK-SNRMKQJTSA-N 2 0 349.494 3.246 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C)c1ccc(F)cc1 ZINC001714348634 1419117457 /nfs/dbraw/zinc/11/74/57/1419117457.db2.gz BEFUYBWRHFSTGN-QRVBRYPASA-N 2 0 349.494 3.198 20 0 EGADRP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001714353652 1419119478 /nfs/dbraw/zinc/11/94/78/1419119478.db2.gz AMUNIKQXWROZSD-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)[C@H](C)c1ccccc1C ZINC001714593033 1419341529 /nfs/dbraw/zinc/34/15/29/1419341529.db2.gz CYBKVFFCQKAMKI-DLBZAZTESA-N 2 0 342.487 3.096 20 0 EGADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1ccccc1C ZINC001714657584 1419439656 /nfs/dbraw/zinc/43/96/56/1419439656.db2.gz XWKDWENTFFNROD-GOSISDBHSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1ccccc1 ZINC001714659313 1419443043 /nfs/dbraw/zinc/44/30/43/1419443043.db2.gz SFVRMKYCUJCYQC-FQEVSTJZSA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001715001731 1419732510 /nfs/dbraw/zinc/73/25/10/1419732510.db2.gz HYROWPATQSUWRX-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP C[N@H+](CC(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1)C1CCC1 ZINC001715092179 1419832990 /nfs/dbraw/zinc/83/29/90/1419832990.db2.gz OBRAVSDDQDQBNC-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC[C@H]1C ZINC001715127124 1419873881 /nfs/dbraw/zinc/87/38/81/1419873881.db2.gz IGBFHSJTPLJPSK-YLJYHZDGSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715213006 1419944990 /nfs/dbraw/zinc/94/49/90/1419944990.db2.gz TYSDZNYNRBRCJT-VQIMIIECSA-N 2 0 346.519 3.139 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1)[NH+](CC)CC ZINC001715218529 1419952170 /nfs/dbraw/zinc/95/21/70/1419952170.db2.gz WSNLLGQOWNEPQM-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001715218880 1419952839 /nfs/dbraw/zinc/95/28/39/1419952839.db2.gz YQWACXZSFAIWRE-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715233938 1419965554 /nfs/dbraw/zinc/96/55/54/1419965554.db2.gz NHRYRFPOTYHIHR-INIZCTEOSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001715270082 1419986123 /nfs/dbraw/zinc/98/61/23/1419986123.db2.gz BZDHIKCFHBYLEK-LJQANCHMSA-N 2 0 345.531 3.021 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001715270499 1419986497 /nfs/dbraw/zinc/98/64/97/1419986497.db2.gz FLBPJIUGLAOPGJ-FXAWDEMLSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001715355009 1420055074 /nfs/dbraw/zinc/05/50/74/1420055074.db2.gz MYOGDEDNBYGTDJ-DNVCBOLYSA-N 2 0 349.494 3.055 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001715568070 1420257170 /nfs/dbraw/zinc/25/71/70/1420257170.db2.gz UXYTZDOCZUGSRN-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001715568076 1420257284 /nfs/dbraw/zinc/25/72/84/1420257284.db2.gz UXYTZDOCZUGSRN-RBUKOAKNSA-N 2 0 349.563 3.173 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001715580306 1420260976 /nfs/dbraw/zinc/26/09/76/1420260976.db2.gz XDZDBJWPTMHAJV-WOJBJXKFSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1c(C(=O)NC[C@H]([NH2+]CC2CC(C)C2)C(C)C)ccc2c[nH+]cn21 ZINC001715596663 1420264235 /nfs/dbraw/zinc/26/42/35/1420264235.db2.gz NTTOJSQALINMGZ-KJXMEXGPSA-N 2 0 342.487 3.033 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031995 1420491189 /nfs/dbraw/zinc/49/11/89/1420491189.db2.gz VNTBSTYIPSMQSA-MSOLQXFVSA-N 2 0 345.531 3.449 20 0 EGADRP C[C@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001716043380 1420506596 /nfs/dbraw/zinc/50/65/96/1420506596.db2.gz WFDKISNEZPVJNW-CVEARBPZSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716065132 1420523914 /nfs/dbraw/zinc/52/39/14/1420523914.db2.gz JHVGUIXETYNKHC-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001716414630 1420643964 /nfs/dbraw/zinc/64/39/64/1420643964.db2.gz LUWLQNCAGXAEGX-BEFAXECRSA-N 2 0 349.494 3.103 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001716518133 1420747375 /nfs/dbraw/zinc/74/73/75/1420747375.db2.gz LKZKZGWTUXOKIL-RBUKOAKNSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001716684805 1420838515 /nfs/dbraw/zinc/83/85/15/1420838515.db2.gz CVFKWMGNWBRGKF-IEBWSBKVSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@H+](CC(=O)NCC[NH+](CC1CC1)C1CCCCCC1)C1CCC1 ZINC001716712884 1420865775 /nfs/dbraw/zinc/86/57/75/1420865775.db2.gz CGZLMHKEEOJECA-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001716768897 1420913793 /nfs/dbraw/zinc/91/37/93/1420913793.db2.gz HTQPAFMAKPRMTP-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CCCCC2)C2CCCC2)CC1 ZINC001716821395 1420948158 /nfs/dbraw/zinc/94/81/58/1420948158.db2.gz PDQVYLSWVHHBRL-HXUWFJFHSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001716872935 1421000089 /nfs/dbraw/zinc/00/00/89/1421000089.db2.gz KHUVZFRTVITKFK-JXFKEZNVSA-N 2 0 349.494 3.057 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001716895296 1421022147 /nfs/dbraw/zinc/02/21/47/1421022147.db2.gz HHNIAQXTYMUHMF-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CN(CCC[N@H+](C)CC1CCCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001717211240 1421185121 /nfs/dbraw/zinc/18/51/21/1421185121.db2.gz JINIXNBCULMOBW-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1 ZINC001717212930 1421187769 /nfs/dbraw/zinc/18/77/69/1421187769.db2.gz SFRNCRVGMHVZLR-QGZVFWFLSA-N 2 0 348.535 3.339 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001717217080 1421195554 /nfs/dbraw/zinc/19/55/54/1421195554.db2.gz OIYVKPWQVJSTOX-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717337343 1421274873 /nfs/dbraw/zinc/27/48/73/1421274873.db2.gz WIFIAMDKIJSVPK-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001717342276 1421279670 /nfs/dbraw/zinc/27/96/70/1421279670.db2.gz ZDMWSZOXXMVTEC-VBQJREDUSA-N 2 0 339.911 3.226 20 0 EGADRP CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717457667 1421387046 /nfs/dbraw/zinc/38/70/46/1421387046.db2.gz OXVRNEFJWRNZGT-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCCc2ccccc21 ZINC001717494617 1421434770 /nfs/dbraw/zinc/43/47/70/1421434770.db2.gz KRYYDFXAPNZAMP-XLIONFOSSA-N 2 0 345.531 3.232 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001733300636 1429485062 /nfs/dbraw/zinc/48/50/62/1429485062.db2.gz QFGOMHXQBQWVIU-NRFANRHFSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(CC)c2)C[C@@H]1C ZINC001717826686 1421640453 /nfs/dbraw/zinc/64/04/53/1421640453.db2.gz DOECLAGMIWHMSP-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2)[C@@H]1C ZINC001717860907 1421673388 /nfs/dbraw/zinc/67/33/88/1421673388.db2.gz RFSRLIABEGBGGL-APWZRJJASA-N 2 0 349.494 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001717882746 1421686465 /nfs/dbraw/zinc/68/64/65/1421686465.db2.gz HLGZLRBHRXFZFS-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1F ZINC001718034805 1421786593 /nfs/dbraw/zinc/78/65/93/1421786593.db2.gz SDGNWEIYPJUJKE-IBGZPJMESA-N 2 0 349.494 3.062 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001733410988 1429611079 /nfs/dbraw/zinc/61/10/79/1429611079.db2.gz HBGDKDGJVKCABK-OXJNMPFZSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@]1(NC(=O)CCC[NH+]2CCCCC2)CC[N@H+](CCCC2CCC2)C1 ZINC001733414182 1429617208 /nfs/dbraw/zinc/61/72/08/1429617208.db2.gz TURWNQNMFPQUNX-NRFANRHFSA-N 2 0 349.563 3.413 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001733416496 1429620863 /nfs/dbraw/zinc/62/08/63/1429620863.db2.gz FLXXKYNLGYJPIW-FQEVSTJZSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001733469593 1429703520 /nfs/dbraw/zinc/70/35/20/1429703520.db2.gz XSYKICWLFCKZMG-FQEVSTJZSA-N 2 0 337.552 3.271 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001723520743 1424450622 /nfs/dbraw/zinc/45/06/22/1424450622.db2.gz CTYIALXMIXXCCH-GOSISDBHSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1)[NH+](C)C ZINC001723553440 1424461519 /nfs/dbraw/zinc/46/15/19/1424461519.db2.gz DWEHFJJCMKYJSY-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C[C@H]1C ZINC001723877243 1424595635 /nfs/dbraw/zinc/59/56/35/1424595635.db2.gz TYRPHLXQQKOLLP-POQYLXETSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CCCC1)[NH+](C)C ZINC001724082870 1424652557 /nfs/dbraw/zinc/65/25/57/1424652557.db2.gz CLDIFGCSLGAVKV-UXHICEINSA-N 2 0 345.531 3.037 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001724753926 1425124302 /nfs/dbraw/zinc/12/43/02/1425124302.db2.gz IFHKKPMPLMSOBZ-QWFCFKBJSA-N 2 0 345.531 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001724847252 1425201311 /nfs/dbraw/zinc/20/13/11/1425201311.db2.gz VWZHOZSPTZQKFY-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724864392 1425246979 /nfs/dbraw/zinc/24/69/79/1425246979.db2.gz SXMRGFDWVRTRQY-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724969153 1425367175 /nfs/dbraw/zinc/36/71/75/1425367175.db2.gz GFCJPLCZJUSPIS-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[N@@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001725341677 1425991818 /nfs/dbraw/zinc/99/18/18/1425991818.db2.gz IMQCWZRRQXGIFB-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001725526614 1426217104 /nfs/dbraw/zinc/21/71/04/1426217104.db2.gz WWPZFAOVLSLGGE-MSOLQXFVSA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1)[NH+](C)C ZINC001731366042 1427298467 /nfs/dbraw/zinc/29/84/67/1427298467.db2.gz UJEWZFQOUGBUDT-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1C/C=C/c1ccccc1 ZINC001731543950 1427559805 /nfs/dbraw/zinc/55/98/05/1427559805.db2.gz OXDHCMUWGQMVRR-RGFVMQALSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719465 1427786255 /nfs/dbraw/zinc/78/62/55/1427786255.db2.gz GVZNFHCNGFLVDV-WOJBJXKFSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](CC)c1ccccc1 ZINC001731864488 1428109852 /nfs/dbraw/zinc/10/98/52/1428109852.db2.gz KXFPEWHNTJSEMM-MISYRCLQSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001731920907 1428170807 /nfs/dbraw/zinc/17/08/07/1428170807.db2.gz XLOOLMCPRANETP-PBHICJAKSA-N 2 0 339.911 3.035 20 0 EGADRP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001734061449 1437855223 /nfs/dbraw/zinc/85/52/23/1437855223.db2.gz FDJWQAWLYQBOEG-PXNSSMCTSA-N 2 0 347.547 3.333 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001734121274 1437901642 /nfs/dbraw/zinc/90/16/42/1437901642.db2.gz IMHNPQZAWYKPKJ-IRXDYDNUSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CCCC2CCC2)CC1 ZINC001734268769 1437990176 /nfs/dbraw/zinc/99/01/76/1437990176.db2.gz ZYYDKSCAAKMRRY-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001734271135 1438000484 /nfs/dbraw/zinc/00/04/84/1438000484.db2.gz DNEXKOGUGOZOGY-KRWDZBQOSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C ZINC001734573616 1438167127 /nfs/dbraw/zinc/16/71/27/1438167127.db2.gz IMQQVJCHXVBMSK-LJQANCHMSA-N 2 0 347.547 3.266 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC1=CCCCC1 ZINC001752072310 1440137997 /nfs/dbraw/zinc/13/79/97/1440137997.db2.gz AHVYMWNDTVWREW-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP Cc1ccccc1C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001752073629 1440138005 /nfs/dbraw/zinc/13/80/05/1440138005.db2.gz RMGSIKXAYKTVAT-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001752436863 1440180518 /nfs/dbraw/zinc/18/05/18/1440180518.db2.gz ZTVSBUAWOBZPLF-WLMAVBAVSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CCCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001752479267 1440185247 /nfs/dbraw/zinc/18/52/47/1440185247.db2.gz DKWUKOQXFOVJSN-VDGAXYAQSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001752489842 1440186359 /nfs/dbraw/zinc/18/63/59/1440186359.db2.gz BLSXJGNNGBZOQO-ICSRJNTNSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752527711 1440193489 /nfs/dbraw/zinc/19/34/89/1440193489.db2.gz MZMOVFPKSZIKKV-RTBURBONSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752687206 1440199906 /nfs/dbraw/zinc/19/99/06/1440199906.db2.gz JGAYMDKFVZRJJR-FHWLQOOXSA-N 2 0 343.515 3.169 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001752699027 1440201444 /nfs/dbraw/zinc/20/14/44/1440201444.db2.gz VQBKTKFAICBBMR-MVCQKVDPSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001752766063 1440205593 /nfs/dbraw/zinc/20/55/93/1440205593.db2.gz OXQUBAWYDDIWQI-FCEWJHQRSA-N 2 0 341.515 3.016 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752789266 1440212996 /nfs/dbraw/zinc/21/29/96/1440212996.db2.gz BDUKLSNCYWRPEZ-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752796993 1440214396 /nfs/dbraw/zinc/21/43/96/1440214396.db2.gz CGKAYVUJXKTXMU-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001752824823 1440223058 /nfs/dbraw/zinc/22/30/58/1440223058.db2.gz FFDKZJQEMGEMKA-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001752852850 1440233938 /nfs/dbraw/zinc/23/39/38/1440233938.db2.gz SFQUPICRNLVUAI-BQYQJAHWSA-N 2 0 337.552 3.338 20 0 EGADRP C[NH+](C)CCC(=O)NC1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001752854245 1440234526 /nfs/dbraw/zinc/23/45/26/1440234526.db2.gz YQJGWYXMLGMXOX-POHAHGRESA-N 2 0 343.515 3.059 20 0 EGADRP CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001752855054 1440234713 /nfs/dbraw/zinc/23/47/13/1440234713.db2.gz GUAXYTBZXHKDCN-CTWPCTMYSA-N 2 0 337.552 3.458 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001752873134 1440237513 /nfs/dbraw/zinc/23/75/13/1440237513.db2.gz OZZAEHQUXZXMMT-KRWDZBQOSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCCCC1 ZINC001752902832 1440243417 /nfs/dbraw/zinc/24/34/17/1440243417.db2.gz IDTQBXOBLVQESM-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001752983380 1440257545 /nfs/dbraw/zinc/25/75/45/1440257545.db2.gz JJOTWZQWWHRBOA-PMACEKPBSA-N 2 0 345.531 3.161 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752991758 1440259729 /nfs/dbraw/zinc/25/97/29/1440259729.db2.gz XSLBHCMZZFFIQF-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996595 1440262179 /nfs/dbraw/zinc/26/21/79/1440262179.db2.gz GWEZHDPGOVLUSA-ICSRJNTNSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001752997317 1440262714 /nfs/dbraw/zinc/26/27/14/1440262714.db2.gz OLDMDVNBNDMXPM-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001753005108 1440265662 /nfs/dbraw/zinc/26/56/62/1440265662.db2.gz CZTOHOOQYXQIJC-SFHVURJKSA-N 2 0 345.531 3.244 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001753083802 1440295263 /nfs/dbraw/zinc/29/52/63/1440295263.db2.gz RQCJLIRFOWNCOI-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)[C@H](C)c1ccc(F)cc1 ZINC001753095039 1440302025 /nfs/dbraw/zinc/30/20/25/1440302025.db2.gz NCBRJRAMQHSRAO-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCNC(=O)c1cccc(C[NH+](C)C)c1)CC1CCCCC1 ZINC001753095240 1440302218 /nfs/dbraw/zinc/30/22/18/1440302218.db2.gz QNQBNNFVWURETP-UHFFFAOYSA-N 2 0 345.531 3.380 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001753105859 1440306061 /nfs/dbraw/zinc/30/60/61/1440306061.db2.gz IVIRKOAPULDDGI-PKOBYXMFSA-N 2 0 343.515 3.121 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001753273416 1440345723 /nfs/dbraw/zinc/34/57/23/1440345723.db2.gz BOTYDRWWBBYOST-ISDNTMMISA-N 2 0 349.563 3.290 20 0 EGADRP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001753315960 1440359570 /nfs/dbraw/zinc/35/95/70/1440359570.db2.gz JBXLMMQQRGBMOB-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001753319371 1440362074 /nfs/dbraw/zinc/36/20/74/1440362074.db2.gz DJEBTEQECFPIND-RTBURBONSA-N 2 0 337.552 3.364 20 0 EGADRP CC(C)CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001753366036 1440385144 /nfs/dbraw/zinc/38/51/44/1440385144.db2.gz VZWFXYRSNOMYBD-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC(=O)NC1C[NH+](CC2CC3(CCC3)C2)C1)C1CCCCC1 ZINC001753382167 1440387898 /nfs/dbraw/zinc/38/78/98/1440387898.db2.gz JZAZTMJDFURZQT-UHFFFAOYSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001753427981 1440397500 /nfs/dbraw/zinc/39/75/00/1440397500.db2.gz RRGZUMXIPFNTAS-SLFFLAALSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1)c1ccccc1 ZINC001753503800 1440423975 /nfs/dbraw/zinc/42/39/75/1440423975.db2.gz SSMPYNUNNSPWPR-YQVWRLOYSA-N 2 0 343.515 3.106 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001753523648 1440429053 /nfs/dbraw/zinc/42/90/53/1440429053.db2.gz OEADJEJLNUHGNR-FPOVZHCZSA-N 2 0 347.547 3.236 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753551907 1440435148 /nfs/dbraw/zinc/43/51/48/1440435148.db2.gz RZLIABCFGSPBBB-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753559922 1440436662 /nfs/dbraw/zinc/43/66/62/1440436662.db2.gz XRXVDEMINGIPRZ-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001753560813 1440436800 /nfs/dbraw/zinc/43/68/00/1440436800.db2.gz GCHHWAYSVRMHSS-MOPGFXCFSA-N 2 0 343.515 3.062 20 0 EGADRP CCC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753570957 1440438516 /nfs/dbraw/zinc/43/85/16/1440438516.db2.gz UNRFDZDPZSYTFR-KKHYBRAUSA-N 2 0 349.563 3.435 20 0 EGADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001753575473 1440439210 /nfs/dbraw/zinc/43/92/10/1440439210.db2.gz IXWXCYRDBQATCF-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001753587653 1440441848 /nfs/dbraw/zinc/44/18/48/1440441848.db2.gz LBKZTUJJRGMUJQ-YJTGKBQXSA-N 2 0 349.563 3.480 20 0 EGADRP CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001753595373 1440444502 /nfs/dbraw/zinc/44/45/02/1440444502.db2.gz WAJVQIFYRCHRGM-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CC1CCCCC1 ZINC001753632182 1440452350 /nfs/dbraw/zinc/45/23/50/1440452350.db2.gz ITCMXSOSYZAQKL-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CCC(C)C)CCCC2)C1 ZINC001753668374 1440461059 /nfs/dbraw/zinc/46/10/59/1440461059.db2.gz XPFKODRZFNJCQO-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001753693859 1440467129 /nfs/dbraw/zinc/46/71/29/1440467129.db2.gz YRSBVHHNRRATOP-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001753706927 1440469729 /nfs/dbraw/zinc/46/97/29/1440469729.db2.gz JCQHCQBYTQBENO-GOSISDBHSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753718426 1440472499 /nfs/dbraw/zinc/47/24/99/1440472499.db2.gz JQBOJZPZUTYGLG-QGZVFWFLSA-N 2 0 343.515 3.299 20 0 EGADRP CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753738355 1440478389 /nfs/dbraw/zinc/47/83/89/1440478389.db2.gz HCKSWGRJYVPAAS-LJQANCHMSA-N 2 0 349.563 3.482 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CCCCC1 ZINC001753749529 1440482145 /nfs/dbraw/zinc/48/21/45/1440482145.db2.gz LRQFDNUCCSYUHS-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001753763675 1440484568 /nfs/dbraw/zinc/48/45/68/1440484568.db2.gz VQVUALXCHVYHQA-YKMDAGRBSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001753776361 1440486502 /nfs/dbraw/zinc/48/65/02/1440486502.db2.gz DGXJOQARPDPSGQ-IVCWSTDESA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001753782220 1440487456 /nfs/dbraw/zinc/48/74/56/1440487456.db2.gz CXESSNVHINEWOG-IBGZPJMESA-N 2 0 337.552 3.410 20 0 EGADRP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001753788288 1440488573 /nfs/dbraw/zinc/48/85/73/1440488573.db2.gz ONBDSTUJOQQIBO-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001753800082 1440490646 /nfs/dbraw/zinc/49/06/46/1440490646.db2.gz VBXOBWWEMCEBMY-HKUYNNGSSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001753830352 1440499448 /nfs/dbraw/zinc/49/94/48/1440499448.db2.gz VCERZFVZPZGYKL-VQTJNVASSA-N 2 0 345.531 3.098 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001753836041 1440501040 /nfs/dbraw/zinc/50/10/40/1440501040.db2.gz WOBUVFVDQBJYFE-ZWKOTPCHSA-N 2 0 339.568 3.273 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001753877626 1440519978 /nfs/dbraw/zinc/51/99/78/1440519978.db2.gz YMIKFCADRKXRAQ-HNNXBMFYSA-N 2 0 339.911 3.133 20 0 EGADRP CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753889819 1440521757 /nfs/dbraw/zinc/52/17/57/1440521757.db2.gz UTTDOEJXXMNDCJ-SJLPKXTDSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](CC[NH2+]CCC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753965704 1440526467 /nfs/dbraw/zinc/52/64/67/1440526467.db2.gz GTSJWBVHIWCZGN-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1 ZINC001754007379 1440530940 /nfs/dbraw/zinc/53/09/40/1440530940.db2.gz LQPWRQILPBFXRW-HKUYNNGSSA-N 2 0 335.536 3.234 20 0 EGADRP CC[C@H]([NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001754055780 1440536293 /nfs/dbraw/zinc/53/62/93/1440536293.db2.gz WYEJOPSKBYHCFR-IBGZPJMESA-N 2 0 343.515 3.204 20 0 EGADRP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754070731 1440538205 /nfs/dbraw/zinc/53/82/05/1440538205.db2.gz NFDLYPSJFKEDLR-IBGZPJMESA-N 2 0 345.531 3.198 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)C[NH+]1CCC(C)CC1 ZINC001754074151 1440538459 /nfs/dbraw/zinc/53/84/59/1440538459.db2.gz MYDVMNYVUOMVBX-LJQANCHMSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cs1 ZINC001754179095 1440547932 /nfs/dbraw/zinc/54/79/32/1440547932.db2.gz AIWZMZFCRVMIQW-OOFWQKGWSA-N 2 0 349.544 3.081 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001754239082 1440555424 /nfs/dbraw/zinc/55/54/24/1440555424.db2.gz NBWFACFPSNFUAN-SJORKVTESA-N 2 0 345.531 3.307 20 0 EGADRP C[C@@H](C[NH2+]CCCC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754267722 1440560761 /nfs/dbraw/zinc/56/07/61/1440560761.db2.gz VQZAWKCCVSTQRG-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCCCC1 ZINC001754382649 1440593423 /nfs/dbraw/zinc/59/34/23/1440593423.db2.gz WNYBDLMLTQLSNU-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001754407795 1440595882 /nfs/dbraw/zinc/59/58/82/1440595882.db2.gz MKLNOSZHTGVCSG-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1)CC(C)(C)C ZINC001754493924 1440611285 /nfs/dbraw/zinc/61/12/85/1440611285.db2.gz IAOAPWVWFQIZCL-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754557152 1440632200 /nfs/dbraw/zinc/63/22/00/1440632200.db2.gz MZUPYYWDIWZNEY-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001754605057 1440643165 /nfs/dbraw/zinc/64/31/65/1440643165.db2.gz VSVMKFRAPDYBQH-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001754609688 1440643609 /nfs/dbraw/zinc/64/36/09/1440643609.db2.gz KWXVDUUPGXBPGV-OZHPBFKBSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001754616177 1440644629 /nfs/dbraw/zinc/64/46/29/1440644629.db2.gz RTSNRVIMQIJKJD-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001754630068 1440647456 /nfs/dbraw/zinc/64/74/56/1440647456.db2.gz SNTCWAXSWAMYNG-QZTJIDSGSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](C(=O)NC1(C)CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001754630559 1440647750 /nfs/dbraw/zinc/64/77/50/1440647750.db2.gz HZQBUXUROVGXON-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C\CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001754679402 1440661415 /nfs/dbraw/zinc/66/14/15/1440661415.db2.gz QTVGNRCWEDGORC-QRMWTIMZSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001754697628 1440667327 /nfs/dbraw/zinc/66/73/27/1440667327.db2.gz RAFOGBVUIXVFEO-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)C[NH+]1CCC(C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001754719971 1440672801 /nfs/dbraw/zinc/67/28/01/1440672801.db2.gz DRCWEOVQXMUMSS-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001754720661 1440673079 /nfs/dbraw/zinc/67/30/79/1440673079.db2.gz RROVJCRABAMRBT-GOSISDBHSA-N 2 0 337.552 3.291 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001754727763 1440677277 /nfs/dbraw/zinc/67/72/77/1440677277.db2.gz MRJWHIQIFONHQG-QUCCMNQESA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001754833264 1440696240 /nfs/dbraw/zinc/69/62/40/1440696240.db2.gz RBOJOYIOBZQACG-REPLKXPHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754866968 1440703078 /nfs/dbraw/zinc/70/30/78/1440703078.db2.gz GEHMCILZXIJKJK-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001754926931 1440709946 /nfs/dbraw/zinc/70/99/46/1440709946.db2.gz WVRKTPHKQCGMNI-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001754940340 1440711701 /nfs/dbraw/zinc/71/17/01/1440711701.db2.gz NKGOYTZLWCZBFV-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001754951432 1440715019 /nfs/dbraw/zinc/71/50/19/1440715019.db2.gz SYZDPGQJCHWWQW-OXJNMPFZSA-N 2 0 345.531 3.341 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001754957745 1440716842 /nfs/dbraw/zinc/71/68/42/1440716842.db2.gz MTBXIJIYALMTNP-WGSAOQKQSA-N 2 0 337.552 3.173 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001754991270 1440724499 /nfs/dbraw/zinc/72/44/99/1440724499.db2.gz FWRAORVTVFPFEN-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755043622 1440739066 /nfs/dbraw/zinc/73/90/66/1440739066.db2.gz AKNOZBOHBUCCBZ-IRXDYDNUSA-N 2 0 349.494 3.009 20 0 EGADRP CN(CCC[N@H+](C)CCC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001755045726 1440740860 /nfs/dbraw/zinc/74/08/60/1440740860.db2.gz GMDXRRHDKYNORO-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001755046001 1440741127 /nfs/dbraw/zinc/74/11/27/1440741127.db2.gz QEWROTQUOJLPDI-RBUKOAKNSA-N 2 0 337.552 3.220 20 0 EGADRP Cc1cccc(C[NH+](C)CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001755048132 1440742498 /nfs/dbraw/zinc/74/24/98/1440742498.db2.gz WGPCNUJQQBJBFF-KDURUIRLSA-N 2 0 345.531 3.148 20 0 EGADRP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001755071801 1440746857 /nfs/dbraw/zinc/74/68/57/1440746857.db2.gz GZXSCODNNXNUII-RTBURBONSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]CC2CC(C)(C)C2)CC1 ZINC001755073437 1440747527 /nfs/dbraw/zinc/74/75/27/1440747527.db2.gz UFNPMKSAZYXKTO-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1CCC(CCCCCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001755074326 1440747881 /nfs/dbraw/zinc/74/78/81/1440747881.db2.gz WABTTYAPXBRSLB-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC001755120813 1440755607 /nfs/dbraw/zinc/75/56/07/1440755607.db2.gz AFJBKIWUBZYNHU-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)CC1(C)C ZINC001755141410 1440760468 /nfs/dbraw/zinc/76/04/68/1440760468.db2.gz GDDBYOOVYFTUMH-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC1CC(C[NH+]2CCC3(CCN(C(=O)CCC[NH+](C)C)CC3)CC2)C1 ZINC001755175674 1440770710 /nfs/dbraw/zinc/77/07/10/1440770710.db2.gz CRNOGRFQPDCRTL-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001755183972 1440772176 /nfs/dbraw/zinc/77/21/76/1440772176.db2.gz VCCYZOHHVVHFRV-PKOBYXMFSA-N 2 0 337.552 3.077 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001755204386 1440781722 /nfs/dbraw/zinc/78/17/22/1440781722.db2.gz JQHLBNSVPCQTGQ-OALUTQOASA-N 2 0 337.552 3.079 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCCC1 ZINC001755301383 1440808603 /nfs/dbraw/zinc/80/86/03/1440808603.db2.gz KTSVMOQXQCIWAQ-XLIONFOSSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001755302116 1440809257 /nfs/dbraw/zinc/80/92/57/1440809257.db2.gz ZHPSHCGNTOITII-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CCCC1CCCC1 ZINC001755306354 1440811212 /nfs/dbraw/zinc/81/12/12/1440811212.db2.gz JAWIXUPEJXPRMM-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[NH2+][C@H](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755351637 1440828025 /nfs/dbraw/zinc/82/80/25/1440828025.db2.gz XLDMPWRXEIDHJP-ZWKOTPCHSA-N 2 0 325.541 3.122 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001755355362 1440829199 /nfs/dbraw/zinc/82/91/99/1440829199.db2.gz CGIAOOMTAXQYNN-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CCCC[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755357542 1440830290 /nfs/dbraw/zinc/83/02/90/1440830290.db2.gz GBIMWOTXIPVHQV-RBUKOAKNSA-N 2 0 349.494 3.075 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001755454276 1440854823 /nfs/dbraw/zinc/85/48/23/1440854823.db2.gz ZBGPLLHKNMHKBX-JQRVFGMCSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001755566916 1440876064 /nfs/dbraw/zinc/87/60/64/1440876064.db2.gz DFUGDLWGHHZHGI-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001755590666 1440881442 /nfs/dbraw/zinc/88/14/42/1440881442.db2.gz PQYPLDJIESBLDT-YLJYHZDGSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CCCCCC1 ZINC001755590696 1440881444 /nfs/dbraw/zinc/88/14/44/1440881444.db2.gz QAOHPWVOIPAUTK-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001755603801 1440884865 /nfs/dbraw/zinc/88/48/65/1440884865.db2.gz ISGNWKJGZTYNME-MSOLQXFVSA-N 2 0 345.531 3.088 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001755720347 1440906943 /nfs/dbraw/zinc/90/69/43/1440906943.db2.gz DUODFSIRXRJLMB-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001755735955 1440910944 /nfs/dbraw/zinc/91/09/44/1440910944.db2.gz PLEHFHMPFKDWEH-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755765114 1440915924 /nfs/dbraw/zinc/91/59/24/1440915924.db2.gz IUZAUMNPRQTBGH-YJBOKZPZSA-N 2 0 349.494 3.055 20 0 EGADRP CCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC001755774533 1440917050 /nfs/dbraw/zinc/91/70/50/1440917050.db2.gz MWYHOHQJNKCAKE-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C(C)(C)C ZINC001755825579 1440927045 /nfs/dbraw/zinc/92/70/45/1440927045.db2.gz ULYNEIBVMAOWRI-HNNXBMFYSA-N 2 0 339.549 3.344 20 0 EGADRP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001755843859 1440932592 /nfs/dbraw/zinc/93/25/92/1440932592.db2.gz XWOXJLOYHIHMSF-KEGWNNHHSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001755848119 1440934037 /nfs/dbraw/zinc/93/40/37/1440934037.db2.gz DGKUYFHBONPJCC-INIZCTEOSA-N 2 0 337.552 3.265 20 0 EGADRP C[N@H+](Cc1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1)C1CC1 ZINC001164419785 718892864 /nfs/dbraw/zinc/89/28/64/718892864.db2.gz RBKJAYNRRVERIJ-LJQANCHMSA-N 2 0 328.504 3.034 20 0 EGADRP Clc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c2c(n1)C[NH2+]CC2 ZINC001165047988 721974638 /nfs/dbraw/zinc/97/46/38/721974638.db2.gz HYPUKWSCQBIHCF-OAHLLOKOSA-N 2 0 348.922 3.226 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1Br ZINC000051694169 214100489 /nfs/dbraw/zinc/10/04/89/214100489.db2.gz GDXLACYJOVBPSV-PKSQDBQZSA-N 2 0 327.266 3.378 20 0 EGADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000368951108 168383871 /nfs/dbraw/zinc/38/38/71/168383871.db2.gz OYWMJOOQPXAXOB-UHFFFAOYSA-N 2 0 342.462 3.131 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000174539571 231235725 /nfs/dbraw/zinc/23/57/25/231235725.db2.gz GIFYULWQYOKESJ-AABGKKOBSA-N 2 0 346.515 3.310 20 0 EGADRP Cc1nn2c(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c(C(C)C)nc2s1 ZINC000357045193 282304062 /nfs/dbraw/zinc/30/40/62/282304062.db2.gz HUABNJPTYYRKCH-HNNXBMFYSA-N 2 0 347.532 3.044 20 0 EGADRP C[N@H+](CCCO)C1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187297771 529893864 /nfs/dbraw/zinc/89/38/64/529893864.db2.gz UPBVIBMNZGZYIG-LEWJYISDSA-N 2 0 330.516 3.275 20 0 EGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000181163190 529999184 /nfs/dbraw/zinc/99/91/84/529999184.db2.gz IMVRDFSSWYOXHY-PMACEKPBSA-N 2 0 329.532 3.171 20 0 EGADRP Cc1nn(C)c(C)c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103142847 219261652 /nfs/dbraw/zinc/26/16/52/219261652.db2.gz ZYCOGWCKELAWKD-UHFFFAOYSA-N 2 0 340.515 3.381 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000188109887 236434048 /nfs/dbraw/zinc/43/40/48/236434048.db2.gz VRGDKHIXHXYVMB-PZJWPPBQSA-N 2 0 329.532 3.112 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000130483536 223156528 /nfs/dbraw/zinc/15/65/28/223156528.db2.gz NTWHMLSGDIGSLB-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(-c3ccco3)s2)C[C@H](C)O1 ZINC000193064555 240001967 /nfs/dbraw/zinc/00/19/67/240001967.db2.gz BIHAGXAPYVVOFD-GASCZTMLSA-N 2 0 349.500 3.382 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCO[C@@H]1CCCCO1 ZINC000193120042 240030620 /nfs/dbraw/zinc/03/06/20/240030620.db2.gz QQYLAYSEEXOHSW-QWFCFKBJSA-N 2 0 346.515 3.276 20 0 EGADRP [NH3+]CC[C@H]1CCCN(Cc2c(F)ccc(Br)c2F)C1 ZINC000230319785 242257933 /nfs/dbraw/zinc/25/79/33/242257933.db2.gz CYYVMSRATVIMRC-SNVBAGLBSA-N 2 0 333.220 3.288 20 0 EGADRP Cc1cccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)c1 ZINC000133141287 223391516 /nfs/dbraw/zinc/39/15/16/223391516.db2.gz UJKRLSCFWZGYRO-KNQAVFIVSA-N 2 0 342.527 3.407 20 0 EGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000237897154 242843477 /nfs/dbraw/zinc/84/34/77/242843477.db2.gz JCKCQSVAGZINPH-CTXDPNEZSA-N 2 0 341.499 3.184 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000262637253 245086564 /nfs/dbraw/zinc/08/65/64/245086564.db2.gz IFHKVSDKFQOVKI-UHFFFAOYSA-N 2 0 345.531 3.266 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)c1ccsc1 ZINC000262621241 245072281 /nfs/dbraw/zinc/07/22/81/245072281.db2.gz FBZZRNSFPQTREO-ROUUACIJSA-N 2 0 345.512 3.256 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000265864597 247866256 /nfs/dbraw/zinc/86/62/56/247866256.db2.gz KTSLYPQCXNFQAI-UHFFFAOYSA-N 2 0 334.847 3.146 20 0 EGADRP C[C@H](CC[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000377621561 169049029 /nfs/dbraw/zinc/04/90/29/169049029.db2.gz GFSDRKOMBBPPCQ-LJQANCHMSA-N 2 0 329.532 3.140 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000091553739 218021422 /nfs/dbraw/zinc/02/14/22/218021422.db2.gz CTBNFBVDWOYGLR-SFHVURJKSA-N 2 0 339.483 3.450 20 0 EGADRP COc1ccc(OC(F)F)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000092381128 218138573 /nfs/dbraw/zinc/13/85/73/218138573.db2.gz OAKWUKIZMWRAKY-UHFFFAOYSA-N 2 0 342.430 3.460 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000093006811 218184536 /nfs/dbraw/zinc/18/45/36/218184536.db2.gz CZSNXMWGUFSWFD-UHFFFAOYSA-N 2 0 328.456 3.116 20 0 EGADRP CCOCCOCc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000268794521 252246501 /nfs/dbraw/zinc/24/65/01/252246501.db2.gz FLFCDGRDASKEGC-XLIONFOSSA-N 2 0 334.504 3.060 20 0 EGADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)cn1 ZINC000268799150 252252138 /nfs/dbraw/zinc/25/21/38/252252138.db2.gz XRXIGQXRWJXNSY-QGZVFWFLSA-N 2 0 344.503 3.474 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337999449 285310287 /nfs/dbraw/zinc/31/02/87/285310287.db2.gz OODHHMJOHCVCFA-WZGPROSRSA-N 2 0 326.500 3.262 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[NH+]1CCCCCC1 ZINC000118769394 221179279 /nfs/dbraw/zinc/17/92/79/221179279.db2.gz RCPJSKLDKKWUON-UHFFFAOYSA-N 2 0 343.471 3.100 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153766825 533415240 /nfs/dbraw/zinc/41/52/40/533415240.db2.gz SDWQBTXSMZXTIO-OXQOHEQNSA-N 2 0 328.456 3.011 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000130852872 533458226 /nfs/dbraw/zinc/45/82/26/533458226.db2.gz NGIXAYISOKTEDK-OAHLLOKOSA-N 2 0 342.439 3.207 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000178186926 533461476 /nfs/dbraw/zinc/46/14/76/533461476.db2.gz OIXCSOZAKXJPJI-MRXNPFEDSA-N 2 0 340.467 3.413 20 0 EGADRP CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000164570131 533605876 /nfs/dbraw/zinc/60/58/76/533605876.db2.gz MVENRRFLNLEQHO-RHSMWYFYSA-N 2 0 335.517 3.080 20 0 EGADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298504685 132393097 /nfs/dbraw/zinc/39/30/97/132393097.db2.gz QOSAFNYAKOBBRF-MRXNPFEDSA-N 2 0 325.456 3.367 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4ccc(Cl)cc43)C2)CC1 ZINC000677804986 549333695 /nfs/dbraw/zinc/33/36/95/549333695.db2.gz JIDOLCVUFZPHDI-FXAWDEMLSA-N 2 0 347.934 3.476 20 0 EGADRP CC1(C)C[C@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[N@@H+]1Cc1ccccc1 ZINC000677803945 549333971 /nfs/dbraw/zinc/33/39/71/549333971.db2.gz CBJJYZJESZWFME-ZCNNSNEGSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)[C@]2(C)CCC[NH2+]C2)CCCC1)c1ccccc1 ZINC000237526331 141006472 /nfs/dbraw/zinc/00/64/72/141006472.db2.gz KSVRWKYHZMBWKD-FXAWDEMLSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCCC[NH2+]1 ZINC000237571880 141008605 /nfs/dbraw/zinc/00/86/05/141008605.db2.gz NQNSXZRKGKLVIJ-OAQYLSRUSA-N 2 0 343.515 3.211 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000338052838 141082497 /nfs/dbraw/zinc/08/24/97/141082497.db2.gz INUVMZYHQLIMCJ-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338070037 141087214 /nfs/dbraw/zinc/08/72/14/141087214.db2.gz UUAXQLUFFITXIW-BRWVUGGUSA-N 2 0 335.536 3.019 20 0 EGADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000353457450 141300131 /nfs/dbraw/zinc/30/01/31/141300131.db2.gz ZFAQUGUJUZZVGT-OAQYLSRUSA-N 2 0 339.483 3.450 20 0 EGADRP Cc1ccc(CCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000354607796 141314518 /nfs/dbraw/zinc/31/45/18/141314518.db2.gz UTUNGQHGOKMGLI-UHFFFAOYSA-N 2 0 345.531 3.147 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000245850181 142602806 /nfs/dbraw/zinc/60/28/06/142602806.db2.gz CSCNCJXQTKPLQY-ZIFCJYIRSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000165306709 143987265 /nfs/dbraw/zinc/98/72/65/143987265.db2.gz CTLUVHRZLHFSTD-DLBZAZTESA-N 2 0 329.488 3.196 20 0 EGADRP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357068122 144326942 /nfs/dbraw/zinc/32/69/42/144326942.db2.gz DIEZBEKOLGZJBA-GFCCVEGCSA-N 2 0 333.423 3.292 20 0 EGADRP CCCc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000677811704 549335943 /nfs/dbraw/zinc/33/59/43/549335943.db2.gz NGJAJGXNYLCCMW-UHFFFAOYSA-N 2 0 327.472 3.264 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000070189986 307376546 /nfs/dbraw/zinc/37/65/46/307376546.db2.gz YQDWQMSWUGWEQH-UHFFFAOYSA-N 2 0 341.293 3.149 20 0 EGADRP COc1cccc(Cl)c1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000118448636 152141307 /nfs/dbraw/zinc/14/13/07/152141307.db2.gz BFLOVBLOAXJLAL-GJZGRUSLSA-N 2 0 340.895 3.328 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000120787551 152300330 /nfs/dbraw/zinc/30/03/30/152300330.db2.gz CWBRSRZJSMXVBD-INIZCTEOSA-N 2 0 330.476 3.436 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1OC ZINC000121359931 152345945 /nfs/dbraw/zinc/34/59/45/152345945.db2.gz RJANQEFAGQNESZ-MJGOQNOKSA-N 2 0 333.520 3.010 20 0 EGADRP O[C@H](Cc1ccccc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121712873 152366796 /nfs/dbraw/zinc/36/67/96/152366796.db2.gz JDMDKDHNGLLOEQ-OAQYLSRUSA-N 2 0 330.516 3.178 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192918635 153266225 /nfs/dbraw/zinc/26/62/25/153266225.db2.gz ZGPWLWWXTXONBS-IBGZPJMESA-N 2 0 329.532 3.361 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1OC ZINC000194262070 153327610 /nfs/dbraw/zinc/32/76/10/153327610.db2.gz QNHUPUVRLQHGCA-RBUKOAKNSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263261024 153946960 /nfs/dbraw/zinc/94/69/60/153946960.db2.gz MJOFRGSCLJEZHD-KGEPEWOVSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000337361395 154306906 /nfs/dbraw/zinc/30/69/06/154306906.db2.gz GEXXXKYXPUCNQV-HXUWFJFHSA-N 2 0 329.532 3.317 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000339687060 154929254 /nfs/dbraw/zinc/92/92/54/154929254.db2.gz GAGPCMFXVVDGHY-MRXNPFEDSA-N 2 0 335.561 3.475 20 0 EGADRP C[C@@H](C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000345318425 156053453 /nfs/dbraw/zinc/05/34/53/156053453.db2.gz VVYWWFZSOJFOOS-HNAYVOBHSA-N 2 0 335.923 3.407 20 0 EGADRP C[C@H](C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000345318424 156053777 /nfs/dbraw/zinc/05/37/77/156053777.db2.gz VVYWWFZSOJFOOS-DNVCBOLYSA-N 2 0 335.923 3.407 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@H]21 ZINC000346851325 156164543 /nfs/dbraw/zinc/16/45/43/156164543.db2.gz VZVSKTKQJMWPLF-PWIZWCRZSA-N 2 0 337.467 3.220 20 0 EGADRP CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347023126 156253010 /nfs/dbraw/zinc/25/30/10/156253010.db2.gz PPLFXENHUKIFSB-YOFSQIOKSA-N 2 0 329.532 3.359 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000347029589 156257488 /nfs/dbraw/zinc/25/74/88/156257488.db2.gz WQEXQIPVKWHUFK-LJQANCHMSA-N 2 0 340.471 3.049 20 0 EGADRP CCOc1c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)nn1CC(C)C ZINC000347037958 156258275 /nfs/dbraw/zinc/25/82/75/156258275.db2.gz HXNNAHFNBLMBQE-LJQANCHMSA-N 2 0 348.535 3.210 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000349011535 156316585 /nfs/dbraw/zinc/31/65/85/156316585.db2.gz YQBSNKIHDZUDQE-SJLPKXTDSA-N 2 0 331.504 3.106 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccsc1Cl ZINC000349064789 156340606 /nfs/dbraw/zinc/34/06/06/156340606.db2.gz WRMXACWESQIBEA-HNNXBMFYSA-N 2 0 329.941 3.249 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000366949460 292366257 /nfs/dbraw/zinc/36/62/57/292366257.db2.gz BHAUXMGDOPUHNP-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000105480480 162055747 /nfs/dbraw/zinc/05/57/47/162055747.db2.gz SQCDDKSAGLLCOT-UZLBHIALSA-N 2 0 325.456 3.090 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000126740242 286920968 /nfs/dbraw/zinc/92/09/68/286920968.db2.gz PCLKHDHZUKLRKN-TXPKVOOTSA-N 2 0 349.494 3.043 20 0 EGADRP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000112708717 162186150 /nfs/dbraw/zinc/18/61/50/162186150.db2.gz ITPPRKOIGRDQBP-SFHVURJKSA-N 2 0 345.531 3.409 20 0 EGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000126164859 162295042 /nfs/dbraw/zinc/29/50/42/162295042.db2.gz DUAXUEUVUWUXAL-CYBMUJFWSA-N 2 0 347.894 3.222 20 0 EGADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000180486085 162747404 /nfs/dbraw/zinc/74/74/04/162747404.db2.gz GHPXMPKNNOGXTR-LJQANCHMSA-N 2 0 336.545 3.097 20 0 EGADRP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC000248995633 163050543 /nfs/dbraw/zinc/05/05/43/163050543.db2.gz OXUBBIYHNBLJFJ-VZHSDHNVSA-N 2 0 327.516 3.254 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCCC1 ZINC000337269745 163189166 /nfs/dbraw/zinc/18/91/66/163189166.db2.gz MANSDNLDQOYPSD-HNNXBMFYSA-N 2 0 337.895 3.393 20 0 EGADRP CSc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343709173 164017829 /nfs/dbraw/zinc/01/78/29/164017829.db2.gz CVSQZVXMNQMBSB-MRXNPFEDSA-N 2 0 333.545 3.009 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165269362 287034739 /nfs/dbraw/zinc/03/47/39/287034739.db2.gz XKQLXKXNSWSTQM-ZWKOTPCHSA-N 3 0 333.520 3.010 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCC2 ZINC000343941454 164070699 /nfs/dbraw/zinc/07/06/99/164070699.db2.gz UBMLYZOOSKQPJB-FQEVSTJZSA-N 2 0 339.483 3.498 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C1(C)C ZINC000344082117 164099462 /nfs/dbraw/zinc/09/94/62/164099462.db2.gz YWGLAOXXMNUDPU-OALUTQOASA-N 2 0 334.504 3.310 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000344119155 164107905 /nfs/dbraw/zinc/10/79/05/164107905.db2.gz WLIQHJDBGBDXNL-MRXNPFEDSA-N 2 0 327.472 3.435 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]([NH3+])CC(F)F)C1CCCCC1 ZINC000345724477 164252165 /nfs/dbraw/zinc/25/21/65/164252165.db2.gz XSDJANOQOXWUHX-HNNXBMFYSA-N 2 0 339.430 3.372 20 0 EGADRP CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000345760193 164260290 /nfs/dbraw/zinc/26/02/90/164260290.db2.gz CYUSGBFNAPNSKQ-LJQANCHMSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC000345992282 164312263 /nfs/dbraw/zinc/31/22/63/164312263.db2.gz NMLFQLRATIIHTL-YLJYHZDGSA-N 2 0 345.531 3.449 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000352061620 165215603 /nfs/dbraw/zinc/21/56/03/165215603.db2.gz YLIAHHPLTRUPFU-UYAOXDASSA-N 2 0 345.531 3.276 20 0 EGADRP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000355051673 166093577 /nfs/dbraw/zinc/09/35/77/166093577.db2.gz IJJSTCLSXCPWCX-VQTJNVASSA-N 2 0 339.483 3.146 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000355405444 166186696 /nfs/dbraw/zinc/18/66/96/166186696.db2.gz AIXZLAITMYNBCZ-IAGOWNOFSA-N 2 0 331.504 3.016 20 0 EGADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000367765825 168268399 /nfs/dbraw/zinc/26/83/99/168268399.db2.gz SDKIUOOIECGASO-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000246167227 287275356 /nfs/dbraw/zinc/27/53/56/287275356.db2.gz AVAFDVZXFMCIKM-NSISKUIASA-N 2 0 343.515 3.195 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000122397968 222079061 /nfs/dbraw/zinc/07/90/61/222079061.db2.gz JVXXZDZEISVUSA-OAHLLOKOSA-N 2 0 342.439 3.207 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177310536 265246477 /nfs/dbraw/zinc/24/64/77/265246477.db2.gz JZWFNRSTASTBLV-NRFANRHFSA-N 2 0 342.458 3.209 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(Br)c2)CN1C1CC1 ZINC000177927430 265288087 /nfs/dbraw/zinc/28/80/87/265288087.db2.gz NPCNSSNMAAMYAS-GXTWGEPZSA-N 2 0 339.277 3.043 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178670672 265334866 /nfs/dbraw/zinc/33/48/66/265334866.db2.gz RHWWJHIDHAZIFB-UXHICEINSA-N 2 0 343.515 3.196 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000178854915 265345598 /nfs/dbraw/zinc/34/55/98/265345598.db2.gz OTAXPSSRXYDHNX-RTBURBONSA-N 2 0 337.552 3.158 20 0 EGADRP Clc1ccc(CN2CCN(CCC[NH+]3CCCCC3)CC2)s1 ZINC000193458873 266035041 /nfs/dbraw/zinc/03/50/41/266035041.db2.gz WIXODGPLEACZDZ-UHFFFAOYSA-N 2 0 341.952 3.395 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000194576792 266128976 /nfs/dbraw/zinc/12/89/76/266128976.db2.gz QZQFHCHZFRZINN-QGZVFWFLSA-N 2 0 327.472 3.305 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[N@@H+]1C ZINC000230975524 266205827 /nfs/dbraw/zinc/20/58/27/266205827.db2.gz ZLTUMOJZTDZEFX-GJZGRUSLSA-N 2 0 327.513 3.094 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236759839 266213610 /nfs/dbraw/zinc/21/36/10/266213610.db2.gz LOZNMJPMSIEZSE-UHOSZYNNSA-N 2 0 331.504 3.015 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000273309257 267017303 /nfs/dbraw/zinc/01/73/03/267017303.db2.gz WFQXTAZZNCCVQN-CABCVRRESA-N 2 0 337.533 3.168 20 0 EGADRP CC[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+](CC)CC ZINC000274072215 267176422 /nfs/dbraw/zinc/17/64/22/267176422.db2.gz OIZTYKFABLUUHN-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000274669084 267269881 /nfs/dbraw/zinc/26/98/81/267269881.db2.gz XFRNYMXGIBZFCY-DNVCBOLYSA-N 2 0 335.923 3.333 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(F)cc(Cl)c2)ccn1 ZINC000274965251 267312965 /nfs/dbraw/zinc/31/29/65/267312965.db2.gz HHOVALGDVNTLHI-UHFFFAOYSA-N 2 0 337.826 3.104 20 0 EGADRP COC1(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCOCC1 ZINC000277021803 267678556 /nfs/dbraw/zinc/67/85/56/267678556.db2.gz MZUUOGFMTQOROY-SFHVURJKSA-N 2 0 346.515 3.346 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCC2 ZINC000278562274 268039526 /nfs/dbraw/zinc/03/95/26/268039526.db2.gz PDIIBUDVZBFAOA-OXQOHEQNSA-N 2 0 332.488 3.163 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000166415185 274956438 /nfs/dbraw/zinc/95/64/38/274956438.db2.gz CIQLBYGXQKQBBI-WOJBJXKFSA-N 2 0 343.515 3.196 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000110964228 275181850 /nfs/dbraw/zinc/18/18/50/275181850.db2.gz DAINYNKQYGAIIH-FQEVSTJZSA-N 2 0 345.531 3.402 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000279928181 275377137 /nfs/dbraw/zinc/37/71/37/275377137.db2.gz MYUSDNABFWJMHQ-PMPSAXMXSA-N 2 0 332.488 3.270 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000280802109 275496941 /nfs/dbraw/zinc/49/69/41/275496941.db2.gz HLCJLURVILMJTO-ZACQAIPSSA-N 2 0 337.939 3.305 20 0 EGADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000282793820 275671624 /nfs/dbraw/zinc/67/16/24/275671624.db2.gz YRVCIECOAMOHNK-CCKFTAQKSA-N 2 0 336.907 3.238 20 0 EGADRP CCCC[C@H](COC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284306783 275790092 /nfs/dbraw/zinc/79/00/92/275790092.db2.gz JDEBDCCLAVDCBB-GOSISDBHSA-N 2 0 334.504 3.454 20 0 EGADRP COc1ccccc1O[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000286502300 276009011 /nfs/dbraw/zinc/00/90/11/276009011.db2.gz PTXOLKUQPHLGEC-ZWKOTPCHSA-N 2 0 332.488 3.413 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000287106307 276084600 /nfs/dbraw/zinc/08/46/00/276084600.db2.gz QHQTZJKWOCUHMB-OVQGTLEDSA-N 2 0 347.547 3.395 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122918448 276199669 /nfs/dbraw/zinc/19/96/69/276199669.db2.gz UYGQQGAKFQOFBX-RLLQIKCJSA-N 2 0 329.532 3.184 20 0 EGADRP Fc1ccc(/C=C/C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000289170095 276299432 /nfs/dbraw/zinc/29/94/32/276299432.db2.gz RUTKBIDJMMBZIF-OWOJBTEDSA-N 2 0 336.426 3.022 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289211568 276304951 /nfs/dbraw/zinc/30/49/51/276304951.db2.gz KNPNNGPNHFOVDR-HXUWFJFHSA-N 2 0 340.515 3.163 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289221390 276306420 /nfs/dbraw/zinc/30/64/20/276306420.db2.gz JITZOLQGYJSMHT-CQSZACIVSA-N 2 0 333.501 3.328 20 0 EGADRP Cc1nnc(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)s1 ZINC000289685896 276378280 /nfs/dbraw/zinc/37/82/80/276378280.db2.gz HZLGLLQDGMUDFK-UHFFFAOYSA-N 2 0 344.528 3.422 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nccc2ccccc21 ZINC000289745193 276387182 /nfs/dbraw/zinc/38/71/82/276387182.db2.gz MFXYJUAEDCRYHK-KRWDZBQOSA-N 2 0 340.515 3.159 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000290418387 276493057 /nfs/dbraw/zinc/49/30/57/276493057.db2.gz UPQMKMDQLLNDSI-SJLPKXTDSA-N 2 0 340.467 3.454 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000290498977 276503144 /nfs/dbraw/zinc/50/31/44/276503144.db2.gz YCJAMFRLRVMXDY-UHFFFAOYSA-N 2 0 341.446 3.326 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Br)nc1 ZINC000290556322 276511304 /nfs/dbraw/zinc/51/13/04/276511304.db2.gz DHNCOKXNFDZSJM-GFCCVEGCSA-N 2 0 338.293 3.369 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000181010557 276789249 /nfs/dbraw/zinc/78/92/49/276789249.db2.gz GCMFBBHSPLPJGQ-UXHICEINSA-N 2 0 329.532 3.184 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292708616 276859667 /nfs/dbraw/zinc/85/96/67/276859667.db2.gz OMTZOTNWEVXFIO-HNNXBMFYSA-N 2 0 349.500 3.272 20 0 EGADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000177890309 277500089 /nfs/dbraw/zinc/50/00/89/277500089.db2.gz CCHWCABTVGBOFU-BZSNNMDCSA-N 2 0 334.504 3.201 20 0 EGADRP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000359661608 278226976 /nfs/dbraw/zinc/22/69/76/278226976.db2.gz OLADCTCNRZAVBK-AWEZNQCLSA-N 2 0 344.425 3.044 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000340598737 279092683 /nfs/dbraw/zinc/09/26/83/279092683.db2.gz ALJLAZYBRNNJFU-SCTDSRPQSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000357111422 279137176 /nfs/dbraw/zinc/13/71/76/279137176.db2.gz NUCYITKQUMZVOX-KSZLIROESA-N 2 0 345.531 3.406 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000338004115 279235287 /nfs/dbraw/zinc/23/52/87/279235287.db2.gz WXZSINRWOXCOJV-QGZVFWFLSA-N 2 0 343.515 3.275 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000155137515 279313359 /nfs/dbraw/zinc/31/33/59/279313359.db2.gz REKADRZOMCLRCF-WBMJQRKESA-N 2 0 342.314 3.206 20 0 EGADRP C[C@H](C[NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000348138654 279346799 /nfs/dbraw/zinc/34/67/99/279346799.db2.gz GANOHLYQNRLXAE-OAHLLOKOSA-N 2 0 343.437 3.036 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCSC2)CC1 ZINC000127232972 279375003 /nfs/dbraw/zinc/37/50/03/279375003.db2.gz DVCMCPUTWXDDNJ-HOCLYGCPSA-N 2 0 337.508 3.124 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000347810608 280172252 /nfs/dbraw/zinc/17/22/52/280172252.db2.gz BARDOJIFTIZVAO-UYAOXDASSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1ccc2[nH+]ccc(N3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)c2c1 ZINC000354575358 281169763 /nfs/dbraw/zinc/16/97/63/281169763.db2.gz MBYVDKXUVAEHRU-KRWDZBQOSA-N 2 0 338.499 3.148 20 0 EGADRP CCc1ccc([C@@H](CC)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000370633369 281412158 /nfs/dbraw/zinc/41/21/58/281412158.db2.gz HBGZHNJOVPYLQI-PZJWPPBQSA-N 2 0 329.532 3.458 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)c1C ZINC000357603943 282074594 /nfs/dbraw/zinc/07/45/94/282074594.db2.gz QRBXNSZYWLQLEH-LPHOPBHVSA-N 2 0 325.456 3.151 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000345005895 289277907 /nfs/dbraw/zinc/27/79/07/289277907.db2.gz SOTBYBCWTZIYFF-HCXYKTFWSA-N 2 0 335.536 3.115 20 0 EGADRP C[N@@H+]1CC[C@H]([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000367625242 290216447 /nfs/dbraw/zinc/21/64/47/290216447.db2.gz XLHCVMUNXABDJB-OKZBNKHCSA-N 2 0 349.519 3.016 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000155011403 298618087 /nfs/dbraw/zinc/61/80/87/298618087.db2.gz DISSCLQXDYXUCZ-OAGGEKHMSA-N 2 0 346.544 3.014 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1)N1CC[NH+](C)CC1 ZINC000157014756 298779014 /nfs/dbraw/zinc/77/90/14/298779014.db2.gz SJZPKTXRLLICRD-SJORKVTESA-N 2 0 333.520 3.150 20 0 EGADRP Cc1ccc([C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CCC2)cc1 ZINC000187278773 301805922 /nfs/dbraw/zinc/80/59/22/301805922.db2.gz LVENZZRSSACVPA-OAQYLSRUSA-N 2 0 329.532 3.452 20 0 EGADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090810549 307461777 /nfs/dbraw/zinc/46/17/77/307461777.db2.gz PJMXNJRLVAVBJP-APWZRJJASA-N 2 0 336.520 3.321 20 0 EGADRP O[C@H](C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C[NH+]1CCCC1 ZINC000414071476 309059101 /nfs/dbraw/zinc/05/91/01/309059101.db2.gz LVGQLHBNJYQGDN-YTQUADARSA-N 2 0 336.907 3.413 20 0 EGADRP O[C@H](C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1)C[NH+]1CCCC1 ZINC000414086024 309060166 /nfs/dbraw/zinc/06/01/66/309060166.db2.gz ZEASGAQBJWOSPQ-YTQUADARSA-N 2 0 336.907 3.413 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1csc(-c2ccccc2)n1 ZINC000414125014 309062422 /nfs/dbraw/zinc/06/24/22/309062422.db2.gz PVHMHBMDIBPNTG-HNNXBMFYSA-N 2 0 345.512 3.165 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H](O)C(C)C ZINC000414295315 309071118 /nfs/dbraw/zinc/07/11/18/309071118.db2.gz NPLDNQXXDFCZBV-IFLJBQAJSA-N 2 0 330.516 3.282 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)o1 ZINC000163549707 307923109 /nfs/dbraw/zinc/92/31/09/307923109.db2.gz JVNQQZKOWIIOHC-OAHLLOKOSA-N 2 0 349.519 3.119 20 0 EGADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248214930 308000308 /nfs/dbraw/zinc/00/03/08/308000308.db2.gz ZLJPRTUGVRATAV-HOCLYGCPSA-N 2 0 339.549 3.462 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405288 308001960 /nfs/dbraw/zinc/00/19/60/308001960.db2.gz RDHMZISFDGEVKW-GXRSIYKFSA-N 3 0 341.543 3.219 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)OC(C)C ZINC000248651081 308008587 /nfs/dbraw/zinc/00/85/87/308008587.db2.gz XGECIARYQNGERZ-QXOCSCLMSA-N 2 0 334.504 3.480 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cc(C)ccc2C)[C@@H](C)C1 ZINC000248865302 308013655 /nfs/dbraw/zinc/01/36/55/308013655.db2.gz AUQTYFFWPZAYAV-VQTJNVASSA-N 2 0 348.531 3.409 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000249087703 308018704 /nfs/dbraw/zinc/01/87/04/308018704.db2.gz GCDAHWRRHKDJMY-LEWJYISDSA-N 2 0 329.532 3.015 20 0 EGADRP Cc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000292897036 308077566 /nfs/dbraw/zinc/07/75/66/308077566.db2.gz GFZAONNFTQNZHV-PXNSSMCTSA-N 2 0 329.488 3.048 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000292906892 308078758 /nfs/dbraw/zinc/07/87/58/308078758.db2.gz FDBXTRUVWWXOAR-UHFFFAOYSA-N 2 0 342.487 3.441 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000293600618 308145453 /nfs/dbraw/zinc/14/54/53/308145453.db2.gz DIBOAQPJWTZVLL-LJQANCHMSA-N 2 0 345.531 3.440 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000293779138 308161177 /nfs/dbraw/zinc/16/11/77/308161177.db2.gz SUXGLJOHNFPQAI-MRXNPFEDSA-N 2 0 338.517 3.007 20 0 EGADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)s2)cn1 ZINC000293782445 308161385 /nfs/dbraw/zinc/16/13/85/308161385.db2.gz ZGVDAHSDSFMETJ-GOSISDBHSA-N 2 0 330.501 3.066 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293799049 308162902 /nfs/dbraw/zinc/16/29/02/308162902.db2.gz RCWLUBSAZQDTOU-IRXDYDNUSA-N 2 0 345.487 3.416 20 0 EGADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927598 308175008 /nfs/dbraw/zinc/17/50/08/308175008.db2.gz YMYZDIBTMDKBAG-QXAKKESOSA-N 2 0 340.467 3.415 20 0 EGADRP C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(Oc4ccncc4)c3)C2)C1 ZINC000293960481 308177885 /nfs/dbraw/zinc/17/78/85/308177885.db2.gz SZQHHGQOOCIXBR-FQEVSTJZSA-N 2 0 337.423 3.042 20 0 EGADRP CCc1ccc2[nH+]ccc(N[C@H](C)CC[NH+]3CCN(C)CC3)c2c1 ZINC000295135691 308295624 /nfs/dbraw/zinc/29/56/24/308295624.db2.gz YSXYCPSVHWVZHS-MRXNPFEDSA-N 2 0 326.488 3.235 20 0 EGADRP CCCCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000414663164 309094385 /nfs/dbraw/zinc/09/43/85/309094385.db2.gz AXIFJHMOFCZWLX-BZSNNMDCSA-N 2 0 332.488 3.433 20 0 EGADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[NH2+]CC1)C1CCCCC1 ZINC000414718719 309097203 /nfs/dbraw/zinc/09/72/03/309097203.db2.gz WQFDQORDULAHNE-UHFFFAOYSA-N 2 0 344.503 3.278 20 0 EGADRP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695707 309095782 /nfs/dbraw/zinc/09/57/82/309095782.db2.gz OMBUDNPAMUMLMN-LSDHHAIUSA-N 2 0 337.895 3.379 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414772813 309099991 /nfs/dbraw/zinc/09/99/91/309099991.db2.gz CNLOPFUTYYMMCU-KBPBESRZSA-N 2 0 340.414 3.118 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000414752660 309098803 /nfs/dbraw/zinc/09/88/03/309098803.db2.gz LAEBKLSWJJAYSH-TZIWHRDSSA-N 3 0 341.543 3.363 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414779861 309100569 /nfs/dbraw/zinc/10/05/69/309100569.db2.gz KSFJJURLLFIIHF-ZWKOTPCHSA-N 2 0 332.488 3.306 20 0 EGADRP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414779601 309100607 /nfs/dbraw/zinc/10/06/07/309100607.db2.gz KMXFLWLXCKJOJH-JKSUJKDBSA-N 2 0 342.405 3.449 20 0 EGADRP Fc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781109 309100654 /nfs/dbraw/zinc/10/06/54/309100654.db2.gz MNIMZPSSZAKYFT-STQMWFEESA-N 2 0 341.268 3.410 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414780813 309100675 /nfs/dbraw/zinc/10/06/75/309100675.db2.gz LYQFGIZYRXMZHE-ZCNNSNEGSA-N 2 0 328.500 3.184 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000414783431 309100813 /nfs/dbraw/zinc/10/08/13/309100813.db2.gz ZMQFAYANGIITRK-WOZUAGRISA-N 2 0 328.500 3.325 20 0 EGADRP CC[C@@H](C)c1nnc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000298054995 308581914 /nfs/dbraw/zinc/58/19/14/308581914.db2.gz JGRSNNNNJIWJKZ-KGLIPLIRSA-N 2 0 328.464 3.033 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788940 309101306 /nfs/dbraw/zinc/10/13/06/309101306.db2.gz XNGQDJROQQWDRW-RBUKOAKNSA-N 2 0 338.499 3.311 20 0 EGADRP Fc1cccc(Oc2ccc(C[NH2+]CCCN3CC[NH2+]CC3)cc2)c1 ZINC000414791615 309101609 /nfs/dbraw/zinc/10/16/09/309101609.db2.gz IAGQVXJIWNLYTK-UHFFFAOYSA-N 2 0 343.446 3.003 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC12CCOCC2 ZINC000414792383 309101664 /nfs/dbraw/zinc/10/16/64/309101664.db2.gz RWTLPPFYQPKSJV-GOSISDBHSA-N 2 0 344.499 3.195 20 0 EGADRP CCCCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414797842 309102178 /nfs/dbraw/zinc/10/21/78/309102178.db2.gz YXENWPGTGHQSNR-LJQANCHMSA-N 2 0 346.515 3.443 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414802430 309102407 /nfs/dbraw/zinc/10/24/07/309102407.db2.gz BLGCQSLFEOIPLF-ZDUSSCGKSA-N 2 0 325.884 3.473 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000301138813 308689647 /nfs/dbraw/zinc/68/96/47/308689647.db2.gz PFSBOVGILBDVTF-MRXNPFEDSA-N 2 0 341.540 3.486 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414839318 309104746 /nfs/dbraw/zinc/10/47/46/309104746.db2.gz VYUPXFSGCQGLQC-OAHLLOKOSA-N 2 0 332.879 3.232 20 0 EGADRP Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc2[nH+]1 ZINC000301856039 308718636 /nfs/dbraw/zinc/71/86/36/308718636.db2.gz CXINMHOKULIMFL-UHFFFAOYSA-N 2 0 336.439 3.491 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414859933 309106068 /nfs/dbraw/zinc/10/60/68/309106068.db2.gz UZYHUZUTBJVXGW-AAEUAGOBSA-N 2 0 329.257 3.108 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(Cl)c1 ZINC000414898000 309108027 /nfs/dbraw/zinc/10/80/27/309108027.db2.gz APDCJLSLWFJYIB-RDTXWAMCSA-N 2 0 337.895 3.345 20 0 EGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910969 309108785 /nfs/dbraw/zinc/10/87/85/309108785.db2.gz VZULXOAUABVNDL-WCQYABFASA-N 2 0 329.257 3.251 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000414936070 309110124 /nfs/dbraw/zinc/11/01/24/309110124.db2.gz YZAQZQJHDKTJMU-ZIAGYGMSSA-N 2 0 338.377 3.251 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414998609 309113427 /nfs/dbraw/zinc/11/34/27/309113427.db2.gz IIFHHNNFNQEERV-JRSUCEMESA-N 2 0 327.516 3.004 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000414998505 309113507 /nfs/dbraw/zinc/11/35/07/309113507.db2.gz QVPDWKVBBNZBEI-VISWBVPDSA-N 2 0 339.527 3.003 20 0 EGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000415003414 309113714 /nfs/dbraw/zinc/11/37/14/309113714.db2.gz MYOHSEQEGJWYIH-DABHTEOTSA-N 2 0 344.474 3.066 20 0 EGADRP FC(F)Oc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000415003867 309113786 /nfs/dbraw/zinc/11/37/86/309113786.db2.gz GOWQGRCDAZCINE-GXTWGEPZSA-N 2 0 330.806 3.419 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OCC ZINC000415014749 309114395 /nfs/dbraw/zinc/11/43/95/309114395.db2.gz XIOOEUQRDJZGSA-ZWKOTPCHSA-N 2 0 332.488 3.352 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC(F)F ZINC000415018015 309114560 /nfs/dbraw/zinc/11/45/60/309114560.db2.gz BBTSLOYNRMFLKB-JOCQHMNTSA-N 2 0 328.403 3.151 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018451 309114578 /nfs/dbraw/zinc/11/45/78/309114578.db2.gz CBYFNLHCNUIPPL-ULQDDVLXSA-N 2 0 331.504 3.321 20 0 EGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000415027162 309115037 /nfs/dbraw/zinc/11/50/37/309115037.db2.gz VPLXXXOHUYVZDZ-MBOZVWFJSA-N 2 0 332.488 3.099 20 0 EGADRP COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415045109 309116201 /nfs/dbraw/zinc/11/62/01/309116201.db2.gz TVJLAVBHLKRWGI-HKUYNNGSSA-N 2 0 340.467 3.491 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000415045911 309116272 /nfs/dbraw/zinc/11/62/72/309116272.db2.gz UPZCDAHNIXEUSY-KOLCDFICSA-N 2 0 349.219 3.268 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415048307 309116525 /nfs/dbraw/zinc/11/65/25/309116525.db2.gz WTHDLDHUONVERD-RTBURBONSA-N 2 0 326.488 3.074 20 0 EGADRP Cc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccc1-n1cncn1 ZINC000415062175 309117717 /nfs/dbraw/zinc/11/77/17/309117717.db2.gz ZZIZEFHBTHHUNO-IBGZPJMESA-N 2 0 335.455 3.146 20 0 EGADRP C[C@H]1C[C@@H](C[NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC000415079300 309118894 /nfs/dbraw/zinc/11/88/94/309118894.db2.gz JVIHDWROOXPZBS-HOTGVXAUSA-N 2 0 336.907 3.366 20 0 EGADRP Brc1cccc(C2(C[NH2+]CC3CC[NH2+]CC3)CCC2)c1 ZINC000415090111 309119489 /nfs/dbraw/zinc/11/94/89/309119489.db2.gz ZZNPHRLPVGLZGS-UHFFFAOYSA-N 2 0 337.305 3.460 20 0 EGADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415090216 309119549 /nfs/dbraw/zinc/11/95/49/309119549.db2.gz XRFHPJHVKBHGFQ-HSALFYBXSA-N 2 0 342.531 3.472 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000415106562 309120744 /nfs/dbraw/zinc/12/07/44/309120744.db2.gz JSWWMVIBMRPXFY-LEWJYISDSA-N 2 0 344.499 3.194 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]1 ZINC000415112853 309121185 /nfs/dbraw/zinc/12/11/85/309121185.db2.gz RBDMKIQDPJGIRN-KFWWJZLASA-N 2 0 334.426 3.056 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415122399 309121861 /nfs/dbraw/zinc/12/18/61/309121861.db2.gz JYYNHPLZBVWTJK-CRAIPNDOSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415123536 309121866 /nfs/dbraw/zinc/12/18/66/309121866.db2.gz LDWJHOFNLZELHF-QUCCMNQESA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)C1 ZINC000415125592 309122135 /nfs/dbraw/zinc/12/21/35/309122135.db2.gz OMCNRVZBGKUAKN-TZMCWYRMSA-N 2 0 348.434 3.485 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415125396 309122219 /nfs/dbraw/zinc/12/22/19/309122219.db2.gz LDGYCTCUBWUVGX-TZMCWYRMSA-N 2 0 346.393 3.053 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415131084 309122724 /nfs/dbraw/zinc/12/27/24/309122724.db2.gz RVXRSTHOKUXRTR-WOJBJXKFSA-N 2 0 332.488 3.192 20 0 EGADRP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132788 309122918 /nfs/dbraw/zinc/12/29/18/309122918.db2.gz LZDOJMUGEGIRDD-WOJBJXKFSA-N 2 0 329.532 3.394 20 0 EGADRP NC1(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137518 309123183 /nfs/dbraw/zinc/12/31/83/309123183.db2.gz UFSKYDDLJJMCEO-UXHICEINSA-N 2 0 327.516 3.148 20 0 EGADRP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000415583913 309137508 /nfs/dbraw/zinc/13/75/08/309137508.db2.gz WBWSTEHSTDFECK-CQSZACIVSA-N 2 0 326.444 3.454 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]([NH3+])c3ccccc3)ccc21 ZINC000415784564 309143839 /nfs/dbraw/zinc/14/38/39/309143839.db2.gz HHTIQQJEEIJOAL-OALUTQOASA-N 2 0 338.455 3.057 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000415913065 309148158 /nfs/dbraw/zinc/14/81/58/309148158.db2.gz OPUJVWGCAGSTAL-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccco1 ZINC000415928801 309149244 /nfs/dbraw/zinc/14/92/44/309149244.db2.gz IFWZVLNLZYBTDZ-WMLDXEAASA-N 2 0 344.459 3.250 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)C(C)(C)C ZINC000417678083 309217404 /nfs/dbraw/zinc/21/74/04/309217404.db2.gz IXCQAJWWEKXWLS-QZTJIDSGSA-N 2 0 348.535 3.132 20 0 EGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000417801551 309222972 /nfs/dbraw/zinc/22/29/72/309222972.db2.gz UNMRGHJTDNNZBQ-IBGZPJMESA-N 2 0 348.535 3.057 20 0 EGADRP Cc1noc(CCC[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420308373 309280845 /nfs/dbraw/zinc/28/08/45/309280845.db2.gz JXGHECDIKOGCLM-INIZCTEOSA-N 2 0 346.500 3.016 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314546 309281383 /nfs/dbraw/zinc/28/13/83/309281383.db2.gz KIVBSZMDTWYTCN-IRLDBZIGSA-N 3 0 341.543 3.364 20 0 EGADRP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420322006 309282013 /nfs/dbraw/zinc/28/20/13/309282013.db2.gz DPRRSRKGNYAGHI-HRCADAONSA-N 2 0 347.528 3.057 20 0 EGADRP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321227 309282016 /nfs/dbraw/zinc/28/20/16/309282016.db2.gz CNZLNWIBAPQNGP-NJAFHUGGSA-N 2 0 340.471 3.043 20 0 EGADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420341173 309283148 /nfs/dbraw/zinc/28/31/48/309283148.db2.gz NWWJYIPOAXIVSJ-RDTXWAMCSA-N 2 0 347.528 3.200 20 0 EGADRP COC(=O)c1cc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)ccc2o1 ZINC000420340114 309283293 /nfs/dbraw/zinc/28/32/93/309283293.db2.gz RXPDOMJLHFNXOK-KRWDZBQOSA-N 2 0 342.439 3.183 20 0 EGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000420353176 309283624 /nfs/dbraw/zinc/28/36/24/309283624.db2.gz BHUKJCGDXBXMIE-HXUWFJFHSA-N 2 0 339.483 3.087 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000420373819 309285005 /nfs/dbraw/zinc/28/50/05/309285005.db2.gz GRPGJRGYYLDHPS-ZWKOTPCHSA-N 2 0 340.870 3.240 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000420386536 309285679 /nfs/dbraw/zinc/28/56/79/309285679.db2.gz UYEOABQYGYKFFE-KDOFPFPSSA-N 2 0 331.485 3.015 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000420394466 309286120 /nfs/dbraw/zinc/28/61/20/309286120.db2.gz RPHATQJEORVHEI-OALUTQOASA-N 2 0 336.907 3.491 20 0 EGADRP CCc1ccccc1CC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984355 309305966 /nfs/dbraw/zinc/30/59/66/309305966.db2.gz SPVCVNVAERHDMU-UHFFFAOYSA-N 2 0 343.559 3.284 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CN(Cc2ccccc2)C1 ZINC000421369604 309321042 /nfs/dbraw/zinc/32/10/42/309321042.db2.gz IHAYBAPDVCDBBC-PPXMBRMGSA-N 2 0 329.532 3.359 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000421376657 309321448 /nfs/dbraw/zinc/32/14/48/309321448.db2.gz RXMDYHRRKLRLFR-UHFFFAOYSA-N 2 0 327.266 3.117 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421820713 309341519 /nfs/dbraw/zinc/34/15/19/309341519.db2.gz NLRDJFCEYWFUQT-GJZGRUSLSA-N 2 0 339.911 3.025 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000421831788 309342171 /nfs/dbraw/zinc/34/21/71/309342171.db2.gz LZDTWDXONXYUKF-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCCC1 ZINC000421836687 309342517 /nfs/dbraw/zinc/34/25/17/309342517.db2.gz RDVJFYCJXWFGDC-KRWDZBQOSA-N 2 0 346.515 3.081 20 0 EGADRP Cn1cc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)c2cccc(F)c2)cn1 ZINC000421867017 309344269 /nfs/dbraw/zinc/34/42/69/309344269.db2.gz ARXKICLAAQKVJK-CTWPCTMYSA-N 2 0 330.451 3.111 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421886848 309345207 /nfs/dbraw/zinc/34/52/07/309345207.db2.gz VMIKRUUSWJEXML-BZOOQXSSSA-N 2 0 333.476 3.177 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H]1C[NH3+] ZINC000422631148 309362916 /nfs/dbraw/zinc/36/29/16/309362916.db2.gz FBUYXVUWRVOQHI-MBOZVWFJSA-N 2 0 343.515 3.118 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000422700005 309363539 /nfs/dbraw/zinc/36/35/39/309363539.db2.gz FTLKDWBAAKCIIX-NHYWBVRUSA-N 2 0 329.257 3.108 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)ccc2o1 ZINC000422637393 309363279 /nfs/dbraw/zinc/36/32/79/309363279.db2.gz OOHNPQTYVHEFML-IOASZLSFSA-N 2 0 330.428 3.025 20 0 EGADRP C(CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CCOC1CCCCC1 ZINC000422711405 309364133 /nfs/dbraw/zinc/36/41/33/309364133.db2.gz MRHISCZEZBXIEL-HSALFYBXSA-N 2 0 338.536 3.253 20 0 EGADRP CCC[NH+](CCC)CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422716863 309364628 /nfs/dbraw/zinc/36/46/28/309364628.db2.gz UUETZVJUZSSDHK-CTNGQTDRSA-N 2 0 345.531 3.344 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422720528 309364912 /nfs/dbraw/zinc/36/49/12/309364912.db2.gz SPQXVRPKAABFHE-NVXWUHKLSA-N 2 0 327.428 3.139 20 0 EGADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721638 309364991 /nfs/dbraw/zinc/36/49/91/309364991.db2.gz VWEAJSRKTPYDQJ-VLCRHTCISA-N 2 0 335.495 3.285 20 0 EGADRP CCc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422727921 309365395 /nfs/dbraw/zinc/36/53/95/309365395.db2.gz DTUXKKXYQNJZKB-HSQYWUDLSA-N 2 0 339.527 3.400 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422740885 309366082 /nfs/dbraw/zinc/36/60/82/309366082.db2.gz CLJPAGDWPXXMKU-UONOGXRCSA-N 2 0 338.879 3.312 20 0 EGADRP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1C[NH2+]C1 ZINC000422757931 309366790 /nfs/dbraw/zinc/36/67/90/309366790.db2.gz DHBHHEMAOKMWKI-MRXNPFEDSA-N 2 0 332.451 3.237 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422758570 309367005 /nfs/dbraw/zinc/36/70/05/309367005.db2.gz FDRZKIFHRJSCCN-HMXCVIKNSA-N 2 0 338.499 3.499 20 0 EGADRP COc1ccc(C[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000422767322 309367313 /nfs/dbraw/zinc/36/73/13/309367313.db2.gz MUPRBHMBNHELOE-BTYIYWSLSA-N 2 0 340.467 3.185 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422768392 309367381 /nfs/dbraw/zinc/36/73/81/309367381.db2.gz UMTAEBVPELGPST-CUWPLCDZSA-N 3 0 345.531 3.198 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422769903 309367411 /nfs/dbraw/zinc/36/74/11/309367411.db2.gz VMLDSXMETURFIO-DJJJIMSYSA-N 2 0 346.906 3.456 20 0 EGADRP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422772934 309367553 /nfs/dbraw/zinc/36/75/53/309367553.db2.gz ZUUACIDLZGQYNC-IJXRJRJASA-N 2 0 331.479 3.305 20 0 EGADRP Clc1ccc(SCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422774755 309367669 /nfs/dbraw/zinc/36/76/69/309367669.db2.gz YJBGWTCBONXWPZ-IXDOHACOSA-N 2 0 340.920 3.179 20 0 EGADRP C[C@H](C[C@H]1COCC[NH2+]1)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000422774015 309367708 /nfs/dbraw/zinc/36/77/08/309367708.db2.gz ZSWFRQQGBAYAJX-HBFSDRIKSA-N 2 0 345.531 3.007 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(OCC)c2)CC[NH2+]CC1 ZINC000422777896 309367849 /nfs/dbraw/zinc/36/78/49/309367849.db2.gz GPSKIMZRFPOEFC-HZPDHXFCSA-N 2 0 348.487 3.057 20 0 EGADRP C[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422793304 309368733 /nfs/dbraw/zinc/36/87/33/309368733.db2.gz XBRJGBGLAKWCOU-BEFAXECRSA-N 2 0 335.923 3.425 20 0 EGADRP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422796673 309368868 /nfs/dbraw/zinc/36/88/68/309368868.db2.gz KESXNWLIUVHMNL-PWRODBHTSA-N 2 0 338.499 3.332 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422800666 309369221 /nfs/dbraw/zinc/36/92/21/309369221.db2.gz CPGYJOPXRZRYAL-WIYYLYMNSA-N 3 0 329.532 3.396 20 0 EGADRP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422807244 309369456 /nfs/dbraw/zinc/36/94/56/309369456.db2.gz JNONZKVYZGAMRG-XLIONFOSSA-N 2 0 332.488 3.021 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422809377 309369610 /nfs/dbraw/zinc/36/96/10/309369610.db2.gz MDWJGBIRTBLMTE-MJGOQNOKSA-N 2 0 346.515 3.337 20 0 EGADRP COCc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422810615 309369686 /nfs/dbraw/zinc/36/96/86/309369686.db2.gz RYMJUZOKIHAHQP-PZJWPPBQSA-N 2 0 338.451 3.179 20 0 EGADRP COCc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422810616 309369772 /nfs/dbraw/zinc/36/97/72/309369772.db2.gz RYMJUZOKIHAHQP-TZIWHRDSSA-N 2 0 338.451 3.179 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000422826864 309370496 /nfs/dbraw/zinc/37/04/96/309370496.db2.gz RHLMZLNKUSQHCU-ULQDDVLXSA-N 2 0 332.488 3.090 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)CCCC[NH3+])CC1)c1ccccc1 ZINC000422840974 309371407 /nfs/dbraw/zinc/37/14/07/309371407.db2.gz CLIKYWMMPSSHDJ-XLIONFOSSA-N 2 0 345.531 3.278 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422842769 309371593 /nfs/dbraw/zinc/37/15/93/309371593.db2.gz GJBHEPKYSWUUPO-XJKSGUPXSA-N 2 0 327.875 3.333 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000422853486 309372079 /nfs/dbraw/zinc/37/20/79/309372079.db2.gz CAXLUKXOISUVFZ-VNQPRFMTSA-N 2 0 346.368 3.091 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cc2)C1 ZINC000422859345 309372362 /nfs/dbraw/zinc/37/23/62/309372362.db2.gz JUXDESFOICQSHZ-OPYAIIAOSA-N 3 0 329.532 3.396 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCC[NH2+]1 ZINC000422874775 309373242 /nfs/dbraw/zinc/37/32/42/309373242.db2.gz BCOQCUJGJJOKDB-DNVCBOLYSA-N 3 0 335.923 3.282 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000422877663 309373410 /nfs/dbraw/zinc/37/34/10/309373410.db2.gz IAEFWHNNVYOLEV-IUODEOHRSA-N 2 0 325.294 3.444 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H](C)CCCC[NH3+])CCOCC2)cc1 ZINC000422885114 309374026 /nfs/dbraw/zinc/37/40/26/309374026.db2.gz YBUYXHPDGHQGIL-QGZVFWFLSA-N 2 0 334.504 3.241 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000422903217 309375444 /nfs/dbraw/zinc/37/54/44/309375444.db2.gz FFGLUSXTGWEZJT-XLIONFOSSA-N 2 0 339.483 3.344 20 0 EGADRP FC(F)n1c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc2ccccc21 ZINC000422909946 309375789 /nfs/dbraw/zinc/37/57/89/309375789.db2.gz GZHAOJXGIQLNLQ-RBSFLKMASA-N 2 0 348.441 3.484 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422938951 309377149 /nfs/dbraw/zinc/37/71/49/309377149.db2.gz FEWRKQUCZDCLCL-HUUCEWRRSA-N 2 0 327.266 3.078 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422938949 309377181 /nfs/dbraw/zinc/37/71/81/309377181.db2.gz FEWRKQUCZDCLCL-CABCVRRESA-N 2 0 327.266 3.078 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957689 309378373 /nfs/dbraw/zinc/37/83/73/309378373.db2.gz UVUSPDHNAWDQKL-HZPDHXFCSA-N 2 0 330.501 3.387 20 0 EGADRP CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422977601 309379308 /nfs/dbraw/zinc/37/93/08/309379308.db2.gz FYLUONVGFUKTMZ-RYGJVYDSSA-N 2 0 332.488 3.363 20 0 EGADRP COc1cc(NCC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc(OC)c1 ZINC000422997730 309380077 /nfs/dbraw/zinc/38/00/77/309380077.db2.gz BQBFRCAQYBJCOF-HZPDHXFCSA-N 2 0 335.492 3.016 20 0 EGADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423017224 309381183 /nfs/dbraw/zinc/38/11/83/309381183.db2.gz VZGSBUZYQCLADE-DXBWTPJFSA-N 2 0 341.503 3.062 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423037814 309382380 /nfs/dbraw/zinc/38/23/80/309382380.db2.gz CAJCPWFJEJPHST-XNJGSVPQSA-N 2 0 325.859 3.036 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(OC)c(OC)c1 ZINC000423052303 309383257 /nfs/dbraw/zinc/38/32/57/309383257.db2.gz QFRLMECTZUOHHD-NVXWUHKLSA-N 2 0 334.504 3.479 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423057144 309383488 /nfs/dbraw/zinc/38/34/88/309383488.db2.gz ZHAHOJVKRKNUJM-BBRMVZONSA-N 2 0 331.426 3.415 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423065525 309384187 /nfs/dbraw/zinc/38/41/87/309384187.db2.gz BNDCCYLNBFXBAX-WHOFXGATSA-N 2 0 328.287 3.289 20 0 EGADRP Clc1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000423070051 309384378 /nfs/dbraw/zinc/38/43/78/309384378.db2.gz MMBKASDNEIHLNP-MBOZISHXSA-N 2 0 340.298 3.445 20 0 EGADRP CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423079567 309384757 /nfs/dbraw/zinc/38/47/57/309384757.db2.gz QYKVZXHLAJXCED-BZUAXINKSA-N 2 0 335.458 3.161 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423081393 309384972 /nfs/dbraw/zinc/38/49/72/309384972.db2.gz BOMONRAYDHGVKP-JXFKEZNVSA-N 2 0 340.515 3.475 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423084516 309385156 /nfs/dbraw/zinc/38/51/56/309385156.db2.gz IDWSEIJKMHHWOC-JKSUJKDBSA-N 2 0 326.488 3.085 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423119437 309386906 /nfs/dbraw/zinc/38/69/06/309386906.db2.gz CJCOALMUDBPFLT-HSALFYBXSA-N 2 0 342.531 3.391 20 0 EGADRP C[C@@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)[C@@H]1CCC[NH2+]1 ZINC000423128041 309387144 /nfs/dbraw/zinc/38/71/44/309387144.db2.gz UTKFVKVJYVZSRT-RISCZKNCSA-N 2 0 336.277 3.203 20 0 EGADRP C[C@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)[C@H]1CCC[NH2+]1 ZINC000423128042 309387295 /nfs/dbraw/zinc/38/72/95/309387295.db2.gz UTKFVKVJYVZSRT-SMDDNHRTSA-N 2 0 336.277 3.203 20 0 EGADRP COCC1(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423133541 309387712 /nfs/dbraw/zinc/38/77/12/309387712.db2.gz KXAJPAAQMSWXOA-FXAWDEMLSA-N 2 0 330.472 3.039 20 0 EGADRP COCCOCc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423136138 309387890 /nfs/dbraw/zinc/38/78/90/309387890.db2.gz GWQHQJSLGNWZFT-FXAWDEMLSA-N 2 0 334.504 3.250 20 0 EGADRP CC(C)OCCOC1CC[NH+]([C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423152016 309388508 /nfs/dbraw/zinc/38/85/08/309388508.db2.gz FDLOEUJBRNGVPB-MSOLQXFVSA-N 2 0 326.525 3.203 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423160044 309388683 /nfs/dbraw/zinc/38/86/83/309388683.db2.gz QIMODZCSWDYPPF-NSHDSACASA-N 2 0 337.826 3.371 20 0 EGADRP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423162571 309388886 /nfs/dbraw/zinc/38/88/86/309388886.db2.gz UCAGYUJURLKHGC-XDWAVFMPSA-N 2 0 328.500 3.317 20 0 EGADRP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423176393 309389106 /nfs/dbraw/zinc/38/91/06/309389106.db2.gz CAHNRJVCRZMINS-AWEZNQCLSA-N 2 0 329.669 3.431 20 0 EGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179586 309389278 /nfs/dbraw/zinc/38/92/78/309389278.db2.gz MOFHOHAEIBGRAE-OAHLLOKOSA-N 2 0 344.528 3.064 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423182123 309389309 /nfs/dbraw/zinc/38/93/09/309389309.db2.gz PWCRJQSZVVCMKH-INIZCTEOSA-N 2 0 330.303 3.329 20 0 EGADRP CC1CC[NH+](CCC[C@H](N[C@H]2CC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423209520 309390471 /nfs/dbraw/zinc/39/04/71/309390471.db2.gz GICAGTKZJIRJFU-PMACEKPBSA-N 2 0 333.495 3.330 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423261595 309392726 /nfs/dbraw/zinc/39/27/26/309392726.db2.gz SMKGBEPMNXJKFS-WDEREUQCSA-N 2 0 330.245 3.024 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423260140 309392756 /nfs/dbraw/zinc/39/27/56/309392756.db2.gz PPWOYXNZGKWSEQ-QESAQDPVSA-N 3 0 341.543 3.266 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423274298 309393581 /nfs/dbraw/zinc/39/35/81/309393581.db2.gz LUNJRWCQHGRFGC-FYZZASKESA-N 3 0 329.532 3.122 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000423316617 309395022 /nfs/dbraw/zinc/39/50/22/309395022.db2.gz AFNKYXBUQFPLLH-PXNSSMCTSA-N 2 0 345.531 3.154 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423320511 309395072 /nfs/dbraw/zinc/39/50/72/309395072.db2.gz FJHGZNCTVXCLHP-HNNXBMFYSA-N 2 0 332.492 3.257 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000423326443 309395336 /nfs/dbraw/zinc/39/53/36/309395336.db2.gz KNDPSQXMMYNPMQ-SJCJKPOMSA-N 2 0 328.403 3.337 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423327715 309395348 /nfs/dbraw/zinc/39/53/48/309395348.db2.gz LRXORFHTQHCXDT-LIRRHRJNSA-N 2 0 330.476 3.011 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC000423344272 309396105 /nfs/dbraw/zinc/39/61/05/309396105.db2.gz XMKCZMNYHCCEML-WBMJQRKESA-N 2 0 341.293 3.498 20 0 EGADRP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423350265 309396566 /nfs/dbraw/zinc/39/65/66/309396566.db2.gz XDHORTWIFNOHDJ-LKFCYVNXSA-N 2 0 329.669 3.289 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H](C)[NH3+] ZINC000423356111 309396719 /nfs/dbraw/zinc/39/67/19/309396719.db2.gz PZEHMNVUJSECEV-APWZRJJASA-N 2 0 331.504 3.273 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000423384945 309397947 /nfs/dbraw/zinc/39/79/47/309397947.db2.gz LDYMNMCDXAGNPU-KKSFZXQISA-N 2 0 327.516 3.423 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423386144 309398121 /nfs/dbraw/zinc/39/81/21/309398121.db2.gz RISCHNHGNBWIQX-PMACEKPBSA-N 2 0 349.563 3.399 20 0 EGADRP Fc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)c(F)c1 ZINC000423393155 309398343 /nfs/dbraw/zinc/39/83/43/309398343.db2.gz QNLLVXHXSBNVPZ-UHFFFAOYSA-N 2 0 343.421 3.327 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000423410667 309399012 /nfs/dbraw/zinc/39/90/12/309399012.db2.gz SHLKBLHUTXNFOX-CYBMUJFWSA-N 2 0 346.393 3.252 20 0 EGADRP COCC1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000423411003 309399033 /nfs/dbraw/zinc/39/90/33/309399033.db2.gz SXMCAEFXPLHYAN-MELADBBJSA-N 2 0 342.936 3.499 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000423422273 309399748 /nfs/dbraw/zinc/39/97/48/309399748.db2.gz KWLKEBQYZGDHJS-QEJZJMRPSA-N 2 0 325.522 3.056 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423429019 309399998 /nfs/dbraw/zinc/39/99/98/309399998.db2.gz JVMFNEJZTISAJW-RYUDHWBXSA-N 2 0 346.256 3.459 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OC(F)F ZINC000423439388 309400459 /nfs/dbraw/zinc/40/04/59/309400459.db2.gz NSIBPFBENLBCTG-TUKIKUTGSA-N 2 0 340.414 3.335 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C2 ZINC000423489082 309402510 /nfs/dbraw/zinc/40/25/10/309402510.db2.gz VXHWETMLGWYQIO-IRXDYDNUSA-N 2 0 337.305 3.428 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CO2 ZINC000423506007 309403536 /nfs/dbraw/zinc/40/35/36/309403536.db2.gz IGGYWXOJNJDJPO-IEBWSBKVSA-N 2 0 326.440 3.069 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423536345 309405474 /nfs/dbraw/zinc/40/54/74/309405474.db2.gz HKEOTABUZLOVKN-NRFANRHFSA-N 2 0 337.467 3.273 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000423540585 309405635 /nfs/dbraw/zinc/40/56/35/309405635.db2.gz JXXUUSBUVNIAMO-WTTBNOFXSA-N 2 0 342.405 3.371 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423544373 309405718 /nfs/dbraw/zinc/40/57/18/309405718.db2.gz CTEDIUUCGHKKDQ-AWEZNQCLSA-N 2 0 335.879 3.265 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000423610482 309407690 /nfs/dbraw/zinc/40/76/90/309407690.db2.gz MLTRNEMNVMGPSH-FZKQIMNGSA-N 2 0 343.858 3.146 20 0 EGADRP CC[C@H]([NH3+])C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423769550 309411910 /nfs/dbraw/zinc/41/19/10/309411910.db2.gz YTUHCPSCYCWKET-HNNXBMFYSA-N 2 0 346.302 3.011 20 0 EGADRP C[C@@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423787317 309412683 /nfs/dbraw/zinc/41/26/83/309412683.db2.gz CBBRBHSALYTZGX-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423797428 309413220 /nfs/dbraw/zinc/41/32/20/309413220.db2.gz MSYBDUHUWBJMGW-UYAOXDASSA-N 2 0 335.536 3.009 20 0 EGADRP CC1(C)CCc2ccccc2[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423797233 309413221 /nfs/dbraw/zinc/41/32/21/309413221.db2.gz HTTKGULCXDNTKB-FQEVSTJZSA-N 2 0 343.515 3.020 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424279394 309436166 /nfs/dbraw/zinc/43/61/66/309436166.db2.gz FXNCWZVOMFBSEZ-UKRRQHHQSA-N 2 0 328.884 3.356 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424387002 309441518 /nfs/dbraw/zinc/44/15/18/309441518.db2.gz XYANNNNHTQQVJP-UHFFFAOYSA-N 2 0 340.471 3.112 20 0 EGADRP FC(F)(F)COc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430940171 309621636 /nfs/dbraw/zinc/62/16/36/309621636.db2.gz IZMYRVIJSHRLPN-UHFFFAOYSA-N 2 0 328.378 3.203 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000433127033 309679458 /nfs/dbraw/zinc/67/94/58/309679458.db2.gz FXLMFASOVCVZBH-UHFFFAOYSA-N 2 0 345.487 3.150 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000438561114 309817318 /nfs/dbraw/zinc/81/73/18/309817318.db2.gz IWQFWMXXDVPUMW-UHFFFAOYSA-N 2 0 325.456 3.105 20 0 EGADRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc(Cl)c1OC ZINC000446883847 309970165 /nfs/dbraw/zinc/97/01/65/309970165.db2.gz KHMFXYWBIZPYKP-UHFFFAOYSA-N 2 0 338.879 3.321 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCCc3occc32)cc1 ZINC000447560274 309982199 /nfs/dbraw/zinc/98/21/99/309982199.db2.gz CHKJQTLRCAQDJD-IBGZPJMESA-N 2 0 328.456 3.430 20 0 EGADRP Cc1cccc(CC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000449038972 310032160 /nfs/dbraw/zinc/03/21/60/310032160.db2.gz XYPYKMCPPVRYSE-UHFFFAOYSA-N 2 0 329.532 3.028 20 0 EGADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000449085736 310035785 /nfs/dbraw/zinc/03/57/85/310035785.db2.gz AKVRINQMAPGMNM-INIZCTEOSA-N 2 0 344.478 3.438 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449095536 310036651 /nfs/dbraw/zinc/03/66/51/310036651.db2.gz ZETLDVPRNTYFNC-HNNXBMFYSA-N 2 0 330.451 3.048 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449130033 310039132 /nfs/dbraw/zinc/03/91/32/310039132.db2.gz FMNUMYJBHQQOGP-ZWKOTPCHSA-N 2 0 343.515 3.227 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449163353 310041373 /nfs/dbraw/zinc/04/13/73/310041373.db2.gz LYPRGURFBKEAGC-FUHWJXTLSA-N 2 0 336.907 3.098 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449162632 310041468 /nfs/dbraw/zinc/04/14/68/310041468.db2.gz JWMKXOUXMFEJFV-GOSISDBHSA-N 2 0 334.891 3.322 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000449175979 310042288 /nfs/dbraw/zinc/04/22/88/310042288.db2.gz PNOXQVRRRGACHP-QGZVFWFLSA-N 2 0 331.504 3.288 20 0 EGADRP CSCC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000449188766 310043200 /nfs/dbraw/zinc/04/32/00/310043200.db2.gz KYLJCSBUWMZXSE-VHZYLWGESA-N 2 0 340.577 3.266 20 0 EGADRP CSCC[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449193051 310043672 /nfs/dbraw/zinc/04/36/72/310043672.db2.gz QBGDZSCTZOQIMZ-MRXNPFEDSA-N 2 0 330.582 3.369 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(Br)c1F ZINC000449219306 310045375 /nfs/dbraw/zinc/04/53/75/310045375.db2.gz CVWJBAYSPDUZFH-CYBMUJFWSA-N 2 0 347.272 3.035 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1 ZINC000449222695 310045840 /nfs/dbraw/zinc/04/58/40/310045840.db2.gz NCVGTLZGMKWPAV-AWEZNQCLSA-N 2 0 349.425 3.194 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCC1 ZINC000449226901 310045990 /nfs/dbraw/zinc/04/59/90/310045990.db2.gz SGSHNOGBSMKGHQ-LJQANCHMSA-N 2 0 331.504 3.036 20 0 EGADRP CO[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000449499864 310067116 /nfs/dbraw/zinc/06/71/16/310067116.db2.gz MKVCAKPSTGMTAN-UTKZUKDTSA-N 2 0 345.531 3.074 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000449778667 310086506 /nfs/dbraw/zinc/08/65/06/310086506.db2.gz SINPMFMPSGPVSN-IBGZPJMESA-N 2 0 345.531 3.077 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@@H]1CCCCC1(F)F ZINC000451036932 310157006 /nfs/dbraw/zinc/15/70/06/310157006.db2.gz NDIXIHBTZWFHJX-KRWDZBQOSA-N 2 0 331.495 3.161 20 0 EGADRP CCO[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451522007 310182483 /nfs/dbraw/zinc/18/24/83/310182483.db2.gz ALLZICXHAXKQMF-SRRIFVBASA-N 2 0 338.536 3.036 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453208080 310264117 /nfs/dbraw/zinc/26/41/17/310264117.db2.gz AJWTZLVOHGDOTO-DOIPELPJSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273169 310268435 /nfs/dbraw/zinc/26/84/35/310268435.db2.gz VLDVWESXWUEVPX-DYESRHJHSA-N 2 0 339.483 3.246 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)c2ccccc2)[C@H](C)C1 ZINC000453313987 310270550 /nfs/dbraw/zinc/27/05/50/310270550.db2.gz FEKCDICHQBSECW-HLAWJBBLSA-N 2 0 348.531 3.275 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(OC)c2ccccc2)[C@H](C)C1 ZINC000453313984 310270619 /nfs/dbraw/zinc/27/06/19/310270619.db2.gz FEKCDICHQBSECW-GIVPXCGWSA-N 2 0 348.531 3.275 20 0 EGADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000453374547 310273470 /nfs/dbraw/zinc/27/34/70/310273470.db2.gz OZNBIYPRQCPBLX-FSIJUFHLSA-N 2 0 328.500 3.300 20 0 EGADRP Cn1ccnc1[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000453408738 310275593 /nfs/dbraw/zinc/27/55/93/310275593.db2.gz SUYFBNFWOYMABN-SFHVURJKSA-N 2 0 330.451 3.113 20 0 EGADRP CC(C)c1nc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000459407894 310550478 /nfs/dbraw/zinc/55/04/78/310550478.db2.gz WWAPILKLWGNGSV-UHFFFAOYSA-N 2 0 330.501 3.463 20 0 EGADRP CO[C@@](C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459589290 310562808 /nfs/dbraw/zinc/56/28/08/310562808.db2.gz YCRFYWWFDZAQBS-FQEVSTJZSA-N 2 0 325.456 3.202 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000474216515 310788096 /nfs/dbraw/zinc/78/80/96/310788096.db2.gz DQWNBJVEQGLCSR-UHFFFAOYSA-N 2 0 347.503 3.078 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000482885898 310938854 /nfs/dbraw/zinc/93/88/54/310938854.db2.gz MTQOOQNKZANXQY-LEWJYISDSA-N 2 0 332.532 3.326 20 0 EGADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1)c1ccccc1 ZINC000488392580 311063275 /nfs/dbraw/zinc/06/32/75/311063275.db2.gz QKMQBRKGLVCPSJ-GOSISDBHSA-N 2 0 345.531 3.482 20 0 EGADRP C[C@H]1C[C@H](CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H](C)C1 ZINC000490696994 311149637 /nfs/dbraw/zinc/14/96/37/311149637.db2.gz KLYGAIRGQMGVFU-QGLKVJOYSA-N 2 0 335.580 3.407 20 0 EGADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000491029609 311161456 /nfs/dbraw/zinc/16/14/56/311161456.db2.gz IXBJADFUGRGHPG-LJQANCHMSA-N 2 0 345.462 3.445 20 0 EGADRP Cc1ccc(F)cc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000491251410 311170409 /nfs/dbraw/zinc/17/04/09/311170409.db2.gz YXCJXSFWOXQPDP-CALCHBBNSA-N 2 0 334.479 3.455 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000493473502 311382106 /nfs/dbraw/zinc/38/21/06/311382106.db2.gz MYSJWXPYFUVQEZ-HZPDHXFCSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1ccccc1[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000495061873 311535195 /nfs/dbraw/zinc/53/51/95/311535195.db2.gz UQTAAIWWCHPQFS-RXVVDRJESA-N 2 0 329.532 3.452 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000496700687 311752018 /nfs/dbraw/zinc/75/20/18/311752018.db2.gz LFZWTFDKRUAPNQ-HKUYNNGSSA-N 2 0 347.503 3.061 20 0 EGADRP C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000499235036 311902938 /nfs/dbraw/zinc/90/29/38/311902938.db2.gz PLBOLDFVTIIWPL-UHFFFAOYSA-N 2 0 340.895 3.329 20 0 EGADRP Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000507464305 312073260 /nfs/dbraw/zinc/07/32/60/312073260.db2.gz WSBPMYATRIYRJS-CEMLEFRQSA-N 2 0 336.479 3.435 20 0 EGADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000508209184 312090769 /nfs/dbraw/zinc/09/07/69/312090769.db2.gz AQFOJLAIJGQWQG-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695109 312099730 /nfs/dbraw/zinc/09/97/30/312099730.db2.gz HMICMVCXSYWGNC-HMXCVIKNSA-N 2 0 329.532 3.219 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000510297166 312137615 /nfs/dbraw/zinc/13/76/15/312137615.db2.gz UMQXBOCPHXHBRV-DLBZAZTESA-N 2 0 339.911 3.226 20 0 EGADRP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512656347 312191656 /nfs/dbraw/zinc/19/16/56/312191656.db2.gz ZGJYQGNZJOMBIE-PLACYPQZSA-N 2 0 330.516 3.428 20 0 EGADRP c1cnn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513677878 312215250 /nfs/dbraw/zinc/21/52/50/312215250.db2.gz DHEWRGHYAUEBGP-PWRODBHTSA-N 2 0 338.499 3.164 20 0 EGADRP C[NH+](C)C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC000514903011 312252567 /nfs/dbraw/zinc/25/25/67/312252567.db2.gz HJPFPRSXRLRTSD-LJQANCHMSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000516550631 312328838 /nfs/dbraw/zinc/32/88/38/312328838.db2.gz DTKWRAYBSYBRQZ-JMSVASOKSA-N 2 0 343.393 3.153 20 0 EGADRP COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc(C(F)(F)F)c1 ZINC000529524886 313342884 /nfs/dbraw/zinc/34/28/84/313342884.db2.gz ZRWPFSQXVQETLA-CYBMUJFWSA-N 2 0 330.394 3.488 20 0 EGADRP Fc1ccc(/C=C\C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000530249363 313506011 /nfs/dbraw/zinc/50/60/11/313506011.db2.gz WQRCOQNKFHKPOM-LPQSXRFUSA-N 2 0 336.426 3.069 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1)CC(C)C ZINC000538035173 314225070 /nfs/dbraw/zinc/22/50/70/314225070.db2.gz LRTXTKIYSMSEAO-LJQANCHMSA-N 2 0 339.568 3.179 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCCC1 ZINC000540170597 314366963 /nfs/dbraw/zinc/36/69/63/314366963.db2.gz HCZPHGURQKKVNG-FQEVSTJZSA-N 2 0 345.531 3.427 20 0 EGADRP CCC(CC)(C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC ZINC000548486954 315015964 /nfs/dbraw/zinc/01/59/64/315015964.db2.gz KUYLZRQYJZXSNN-MJGOQNOKSA-N 2 0 346.515 3.466 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000550328077 315125349 /nfs/dbraw/zinc/12/53/49/315125349.db2.gz KZXCHOMMOWOTEA-SFHVURJKSA-N 2 0 348.531 3.250 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)cc1 ZINC000550644517 315131285 /nfs/dbraw/zinc/13/12/85/315131285.db2.gz SPZDBEXWJSJKEP-DYESRHJHSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCC1)c1ccccc1 ZINC000553789477 315282608 /nfs/dbraw/zinc/28/26/08/315282608.db2.gz KTFNRPYAKAWIDS-GOSISDBHSA-N 2 0 345.531 3.498 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000554724537 315345680 /nfs/dbraw/zinc/34/56/80/315345680.db2.gz JRIBBDRSWXYIJA-DOIPELPJSA-N 2 0 327.516 3.143 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000560115392 315661605 /nfs/dbraw/zinc/66/16/05/315661605.db2.gz VXBYNNWNRINJMJ-RUYXUALKSA-N 2 0 346.515 3.249 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000563134445 315963294 /nfs/dbraw/zinc/96/32/94/315963294.db2.gz BWSHDMGNQLGPKC-JXFKEZNVSA-N 2 0 347.572 3.402 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C1 ZINC000563797436 316070578 /nfs/dbraw/zinc/07/05/78/316070578.db2.gz FQZYARHTWIBAPX-LPHOPBHVSA-N 2 0 343.446 3.092 20 0 EGADRP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccnc3ccncc32)CC1 ZINC000564446276 316153370 /nfs/dbraw/zinc/15/33/70/316153370.db2.gz CSMGAPCUCJKJAT-HNNXBMFYSA-N 2 0 333.439 3.084 20 0 EGADRP CC[NH+](CC)CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000564552180 316166721 /nfs/dbraw/zinc/16/67/21/316166721.db2.gz DIBXZCBFXDVYHA-HKUYNNGSSA-N 2 0 348.535 3.017 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000564929106 316233789 /nfs/dbraw/zinc/23/37/89/316233789.db2.gz BSYGFHBVLCIZRS-RTBURBONSA-N 2 0 343.515 3.190 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)cc1)C(C)C ZINC000565039119 316254240 /nfs/dbraw/zinc/25/42/40/316254240.db2.gz QBDDDWBZGKTOJN-UHFFFAOYSA-N 2 0 339.483 3.306 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565945389 316392823 /nfs/dbraw/zinc/39/28/23/316392823.db2.gz CFEKIJCRJCOBIN-ROUUACIJSA-N 2 0 339.487 3.006 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000567689337 316656082 /nfs/dbraw/zinc/65/60/82/316656082.db2.gz IBINVYMGYAKNDS-UHFFFAOYSA-N 2 0 339.430 3.005 20 0 EGADRP CC(C)CC(=O)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000570052166 317001321 /nfs/dbraw/zinc/00/13/21/317001321.db2.gz GBACYFOJPKGOIU-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000570440366 317055788 /nfs/dbraw/zinc/05/57/88/317055788.db2.gz QGIGMAAXOGPEBC-LLVKDONJSA-N 2 0 329.257 3.108 20 0 EGADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570624658 317083562 /nfs/dbraw/zinc/08/35/62/317083562.db2.gz XIHYPKDNFMQZNI-DUXSXAKTSA-N 2 0 341.455 3.240 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](SCCCN3CCOCC3)C2)cc1 ZINC000570843001 317116118 /nfs/dbraw/zinc/11/61/18/317116118.db2.gz UJGDOSQEEVDMKO-LJQANCHMSA-N 2 0 334.529 3.107 20 0 EGADRP CCCOc1ccc(Br)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000571642733 317227197 /nfs/dbraw/zinc/22/71/97/317227197.db2.gz RYIJJJHTUUVISY-NWDGAFQWSA-N 2 0 329.282 3.453 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C1 ZINC000573862327 317536866 /nfs/dbraw/zinc/53/68/66/317536866.db2.gz IGTCPEPBVTWKFL-KBPBESRZSA-N 2 0 336.277 3.332 20 0 EGADRP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171384567 323232271 /nfs/dbraw/zinc/23/22/71/323232271.db2.gz NRPLBZCTKCFIRR-MSOLQXFVSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000177870146 323346846 /nfs/dbraw/zinc/34/68/46/323346846.db2.gz OBEIEOGPCHYGTL-XGHQBKJUSA-N 2 0 340.515 3.432 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000350609766 324106578 /nfs/dbraw/zinc/10/65/78/324106578.db2.gz WUMSZBZXFSQKKJ-HUUCEWRRSA-N 2 0 344.459 3.050 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000350609637 324106869 /nfs/dbraw/zinc/10/68/69/324106869.db2.gz VVKYOTIDLSRVBS-HUUCEWRRSA-N 2 0 344.459 3.050 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000350609635 324106942 /nfs/dbraw/zinc/10/69/42/324106942.db2.gz VVKYOTIDLSRVBS-GASCZTMLSA-N 2 0 344.459 3.050 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000382749201 324252640 /nfs/dbraw/zinc/25/26/40/324252640.db2.gz YOFLFDQSTYTUQL-MISYRCLQSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000387475462 324270981 /nfs/dbraw/zinc/27/09/81/324270981.db2.gz UMBALIOZVIOBRH-HBFSDRIKSA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000579041752 325053825 /nfs/dbraw/zinc/05/38/25/325053825.db2.gz XXTURWBOTRTOPD-UHFFFAOYSA-N 2 0 343.559 3.345 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000579181228 325071820 /nfs/dbraw/zinc/07/18/20/325071820.db2.gz WWOQJPJMXMLFPE-UHFFFAOYSA-N 2 0 338.495 3.174 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000579209630 325077487 /nfs/dbraw/zinc/07/74/87/325077487.db2.gz WOPRUJVBPXNQEO-IBGZPJMESA-N 2 0 344.503 3.325 20 0 EGADRP CC(C)c1[nH+]c(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)c2ccccn21 ZINC000579482528 325116504 /nfs/dbraw/zinc/11/65/04/325116504.db2.gz WMRIHYDMTFZTTM-HOTGVXAUSA-N 2 0 342.487 3.337 20 0 EGADRP CC[C@@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000579647975 325138647 /nfs/dbraw/zinc/13/86/47/325138647.db2.gz WGUGEZSMSUGCLE-FQEVSTJZSA-N 2 0 329.532 3.140 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000580288982 325229082 /nfs/dbraw/zinc/22/90/82/325229082.db2.gz JDMFOSXTBANLIC-OLZOCXBDSA-N 2 0 326.282 3.227 20 0 EGADRP COc1ccc2oc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cc2c1 ZINC000580297616 325230204 /nfs/dbraw/zinc/23/02/04/325230204.db2.gz MHKIOJUVVCPCIZ-UZLBHIALSA-N 2 0 344.455 3.160 20 0 EGADRP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000580336162 325237128 /nfs/dbraw/zinc/23/71/28/325237128.db2.gz ASHVXHLXPNKYMK-QFBILLFUSA-N 2 0 331.504 3.093 20 0 EGADRP CCOC(=O)C1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000580363516 325239165 /nfs/dbraw/zinc/23/91/65/325239165.db2.gz BTTXANOZBWRPDT-PKOBYXMFSA-N 2 0 344.499 3.220 20 0 EGADRP CCOc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1OC(F)F ZINC000581191092 325339906 /nfs/dbraw/zinc/33/99/06/325339906.db2.gz KVWZDAJWAPKXJE-UHFFFAOYSA-N 2 0 336.382 3.435 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000581696546 325383220 /nfs/dbraw/zinc/38/32/20/325383220.db2.gz PXIMPWUNAQFMQT-FYZZASKESA-N 2 0 329.532 3.215 20 0 EGADRP C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000582525274 325447988 /nfs/dbraw/zinc/44/79/88/325447988.db2.gz SCARRTKZJWHRCT-UHFFFAOYSA-N 2 0 347.409 3.145 20 0 EGADRP CCC(CC)(CNC(=O)[C@H](C)[NH2+]C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000583497860 325529072 /nfs/dbraw/zinc/52/90/72/325529072.db2.gz LMTTVOIYYVJJLD-CVEARBPZSA-N 2 0 331.504 3.153 20 0 EGADRP Cn1ccc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000264563073 455237624 /nfs/dbraw/zinc/23/76/24/455237624.db2.gz PZXVMXZMKVSLJU-UHFFFAOYSA-N 2 0 340.515 3.245 20 0 EGADRP C[C@@H](C(=O)NCCC1=CCCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448058 455304174 /nfs/dbraw/zinc/30/41/74/455304174.db2.gz MPABYVBODXGSLL-ICSRJNTNSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000245540763 455325303 /nfs/dbraw/zinc/32/53/03/455325303.db2.gz MYTUNUUYVTZBHQ-UYAOXDASSA-N 2 0 332.488 3.018 20 0 EGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845875 460579771 /nfs/dbraw/zinc/57/97/71/460579771.db2.gz MXBHYJVRSNJIKW-KSSFIOAISA-N 2 0 327.476 3.042 20 0 EGADRP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630370 455365362 /nfs/dbraw/zinc/36/53/62/455365362.db2.gz JYHBWHPRFPVYEP-LPHOPBHVSA-N 2 0 343.515 3.131 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000044292008 454094755 /nfs/dbraw/zinc/09/47/55/454094755.db2.gz NLHXTBZQCKMSDN-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669159 454175465 /nfs/dbraw/zinc/17/54/65/454175465.db2.gz JJYZDLZZTSUSQX-HOCLYGCPSA-N 2 0 330.501 3.068 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000089728249 454183575 /nfs/dbraw/zinc/18/35/75/454183575.db2.gz YLCFDUIHRMTKRM-CJNGLKHVSA-N 2 0 348.878 3.252 20 0 EGADRP c1c(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc2ccccn12 ZINC000130551401 454205295 /nfs/dbraw/zinc/20/52/95/454205295.db2.gz JWFGQLQLGVXBNJ-UHFFFAOYSA-N 2 0 326.488 3.264 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634952691 460627080 /nfs/dbraw/zinc/62/70/80/460627080.db2.gz GMBVYJWEQOXJLX-IAGOWNOFSA-N 2 0 326.488 3.478 20 0 EGADRP CC(C)CO[C@H]1CC[NH+](CC(C)C[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000120125576 454261026 /nfs/dbraw/zinc/26/10/26/454261026.db2.gz QVNZTUWBIIZXPT-PMACEKPBSA-N 2 0 340.552 3.116 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccs1 ZINC000090038544 454265589 /nfs/dbraw/zinc/26/55/89/454265589.db2.gz GOUIZRHQLAWNMS-KRWDZBQOSA-N 2 0 345.512 3.280 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000090716069 454337898 /nfs/dbraw/zinc/33/78/98/454337898.db2.gz ZEZJZLZGKAGCNB-BBRMVZONSA-N 2 0 330.394 3.195 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000072877561 454355925 /nfs/dbraw/zinc/35/59/25/454355925.db2.gz VEOALSOAXCVOTR-UHFFFAOYSA-N 2 0 329.448 3.108 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1OC(F)F ZINC000062427208 454377079 /nfs/dbraw/zinc/37/70/79/454377079.db2.gz CEGJSIREMRPRGK-AWEZNQCLSA-N 2 0 328.403 3.117 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2)CN1CC[NH+](C)CC1 ZINC000121036182 454381108 /nfs/dbraw/zinc/38/11/08/454381108.db2.gz IIXICHWTDAXSTQ-MSOLQXFVSA-N 2 0 329.532 3.100 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000121036340 454381437 /nfs/dbraw/zinc/38/14/37/454381437.db2.gz IIXICHWTDAXSTQ-ZWKOTPCHSA-N 2 0 329.532 3.100 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000121232340 454409475 /nfs/dbraw/zinc/40/94/75/454409475.db2.gz OTNQRKYWPGHLAV-ZIAGYGMSSA-N 2 0 343.437 3.028 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000091334712 454427186 /nfs/dbraw/zinc/42/71/86/454427186.db2.gz RZNZNTJSIAZCPD-DYESRHJHSA-N 2 0 345.531 3.152 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC000091333553 454427837 /nfs/dbraw/zinc/42/78/37/454427837.db2.gz HRDXGCAJTNDDTH-VQTJNVASSA-N 2 0 343.515 3.095 20 0 EGADRP C[C@@H](C[NH2+][C@H](c1ccccc1F)C1CCCC1)N1CC[NH+](C)CC1 ZINC000091333412 454428016 /nfs/dbraw/zinc/42/80/16/454428016.db2.gz FYBRARYVHQWUGB-JXFKEZNVSA-N 2 0 333.495 3.283 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)CCCO2 ZINC000121422693 454432862 /nfs/dbraw/zinc/43/28/62/454432862.db2.gz WXHZGPYVNKXVCR-KBXCAEBGSA-N 2 0 329.444 3.340 20 0 EGADRP CCOc1cc(CCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OC ZINC000133905639 454480914 /nfs/dbraw/zinc/48/09/14/454480914.db2.gz JEQCJUONHGWZOG-BQFCYCMXSA-N 2 0 334.504 3.345 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122564744 454547518 /nfs/dbraw/zinc/54/75/18/454547518.db2.gz WMEUSZIMRUNZIV-IRXDYDNUSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)c1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000122710252 454561139 /nfs/dbraw/zinc/56/11/39/454561139.db2.gz ZZKCBZTZUCWEFJ-LJQANCHMSA-N 2 0 330.516 3.443 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122909501 454580584 /nfs/dbraw/zinc/58/05/84/454580584.db2.gz FTQATQNSVVLSTP-PMACEKPBSA-N 2 0 329.532 3.186 20 0 EGADRP c1cnc2cc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)ccc2n1 ZINC000634986289 460642091 /nfs/dbraw/zinc/64/20/91/460642091.db2.gz RNLCFEXXFXDYIM-UHFFFAOYSA-N 2 0 347.466 3.027 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000104857048 454608185 /nfs/dbraw/zinc/60/81/85/454608185.db2.gz QOYNRYJYKCSNSJ-LJQANCHMSA-N 2 0 345.531 3.449 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000104946958 454611126 /nfs/dbraw/zinc/61/11/26/454611126.db2.gz JJQGSDSHGZTLCC-HSZRJFAPSA-N 2 0 336.545 3.238 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123183305 454611480 /nfs/dbraw/zinc/61/14/80/454611480.db2.gz GGRNJTSLFORRDA-PMACEKPBSA-N 2 0 329.532 3.186 20 0 EGADRP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123393970 454631693 /nfs/dbraw/zinc/63/16/93/454631693.db2.gz NZDGTCZNRKLKTR-KRWDZBQOSA-N 2 0 331.504 3.092 20 0 EGADRP C[C@@H](N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000635004040 460646565 /nfs/dbraw/zinc/64/65/65/460646565.db2.gz MSUNQOYFIDOGDF-KCXAZCMYSA-N 2 0 329.410 3.038 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCc2nccn2C)cc1 ZINC000635005180 460647935 /nfs/dbraw/zinc/64/79/35/460647935.db2.gz HMXRWFYBRWFUOO-BQFCYCMXSA-N 2 0 342.487 3.167 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000606313020 460648099 /nfs/dbraw/zinc/64/80/99/460648099.db2.gz CWJKKAGVRZJOGB-KRWDZBQOSA-N 2 0 347.503 3.212 20 0 EGADRP C[C@@H](CC[NH2+]C1CCC2(CC1)OCCO2)[N@H+](C)Cc1ccccc1 ZINC000161601539 454706368 /nfs/dbraw/zinc/70/63/68/454706368.db2.gz XZWLDSQAVIHXCN-KRWDZBQOSA-N 2 0 332.488 3.172 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000161795457 454724483 /nfs/dbraw/zinc/72/44/83/454724483.db2.gz IOUDAQNYSZVOPJ-FPOVZHCZSA-N 2 0 344.547 3.004 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)s1 ZINC000124368447 454724805 /nfs/dbraw/zinc/72/48/05/454724805.db2.gz WJROCKBUCVEXMC-CYBMUJFWSA-N 2 0 329.941 3.326 20 0 EGADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124510378 454742612 /nfs/dbraw/zinc/74/26/12/454742612.db2.gz JAARRBXQTJTPEC-QGZVFWFLSA-N 2 0 333.520 3.010 20 0 EGADRP CCOc1ccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000635009536 460651898 /nfs/dbraw/zinc/65/18/98/460651898.db2.gz NXIAXVRXHSILHB-HNNXBMFYSA-N 2 0 326.444 3.063 20 0 EGADRP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000635008928 460652541 /nfs/dbraw/zinc/65/25/41/460652541.db2.gz WJGXCDYJBUWADH-QITLCBANSA-N 2 0 329.469 3.358 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010457 460654602 /nfs/dbraw/zinc/65/46/02/460654602.db2.gz LSNZCLGSRVBDMM-MBSDFSHPSA-N 3 0 349.522 3.333 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000635013715 460655096 /nfs/dbraw/zinc/65/50/96/460655096.db2.gz VKHOHUYHZNUPHY-GHMZBOCLSA-N 2 0 326.400 3.107 20 0 EGADRP COCC[N@H+](C)CCCN[C@@H](C)c1ccccc1Br ZINC000153742870 454827720 /nfs/dbraw/zinc/82/77/20/454827720.db2.gz CPOAEZMSDVHCRF-ZDUSSCGKSA-N 2 0 329.282 3.068 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000125701077 454840071 /nfs/dbraw/zinc/84/00/71/454840071.db2.gz MBKKYEFOHORNAU-AQNXPRMDSA-N 2 0 348.531 3.489 20 0 EGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)cc1 ZINC000635013388 460656061 /nfs/dbraw/zinc/65/60/61/460656061.db2.gz RTKXEHMRSQHFLA-PXNSSMCTSA-N 2 0 338.499 3.082 20 0 EGADRP C[C@H]1C[C@H](NCc2cccc(NC(=O)C3CCCC3)c2)CC[N@@H+]1C ZINC000126007868 454863150 /nfs/dbraw/zinc/86/31/50/454863150.db2.gz BPDPZQVZFBFZOR-MAUKXSAKSA-N 2 0 329.488 3.388 20 0 EGADRP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1=O ZINC000177450730 454865029 /nfs/dbraw/zinc/86/50/29/454865029.db2.gz CAEJXALFDNPJCG-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@H]([NH2+]CCCNc1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163785696 454865042 /nfs/dbraw/zinc/86/50/42/454865042.db2.gz FOWJITZMLSIALP-KRWDZBQOSA-N 2 0 342.487 3.175 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177525044 454873127 /nfs/dbraw/zinc/87/31/27/454873127.db2.gz ASSYVMVUHIPIEJ-HUUCEWRRSA-N 2 0 343.471 3.097 20 0 EGADRP C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000166044799 454907115 /nfs/dbraw/zinc/90/71/15/454907115.db2.gz QDZFQHDXTQIXSJ-ZMMAXQRCSA-N 2 0 345.531 3.195 20 0 EGADRP CC[N@H+](CCc1c(C)noc1C)CC1CCN(c2ccccn2)CC1 ZINC000166204741 454908145 /nfs/dbraw/zinc/90/81/45/454908145.db2.gz YUVRSEHRRXDPEJ-UHFFFAOYSA-N 2 0 342.487 3.467 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[NH+]1CCCCC1 ZINC000154571489 454908900 /nfs/dbraw/zinc/90/89/00/454908900.db2.gz SKZIAXWXAUYBOR-IBGZPJMESA-N 2 0 349.494 3.014 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1nc(-c2ccccc2)cs1 ZINC000177880757 454916152 /nfs/dbraw/zinc/91/61/52/454916152.db2.gz CJDORGJNVFZFEA-HNNXBMFYSA-N 2 0 345.512 3.165 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000182326033 455489279 /nfs/dbraw/zinc/48/92/79/455489279.db2.gz HGEDDOCMLAOBBQ-PMACEKPBSA-N 2 0 333.495 3.065 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000151108679 454938690 /nfs/dbraw/zinc/93/86/90/454938690.db2.gz LYHHFDDUNZLEMJ-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP CC[C@@H](Cc1ccccc1)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191511037 455492425 /nfs/dbraw/zinc/49/24/25/455492425.db2.gz WXNZURYECAEUMJ-NRFANRHFSA-N 2 0 331.548 3.356 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000127206287 454945438 /nfs/dbraw/zinc/94/54/38/454945438.db2.gz HTYTZQPVWWRSCI-ICSRJNTNSA-N 2 0 343.515 3.014 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CCC1 ZINC000178574879 454961897 /nfs/dbraw/zinc/96/18/97/454961897.db2.gz DIUGDGQFZPDHCZ-KRWDZBQOSA-N 2 0 346.515 3.454 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc12 ZINC000127441344 454964232 /nfs/dbraw/zinc/96/42/32/454964232.db2.gz HFOPFSWCVXZYEI-IRXDYDNUSA-N 2 0 341.499 3.135 20 0 EGADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127472342 454968382 /nfs/dbraw/zinc/96/83/82/454968382.db2.gz SZDJDDNGFZKOHC-HUUCEWRRSA-N 2 0 339.911 3.025 20 0 EGADRP CSCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178741609 454971762 /nfs/dbraw/zinc/97/17/62/454971762.db2.gz ITISXODOJQTJQR-KRWDZBQOSA-N 2 0 335.517 3.082 20 0 EGADRP C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000127565991 454978121 /nfs/dbraw/zinc/97/81/21/454978121.db2.gz HXZRPEZEPMKSBQ-BZUAXINKSA-N 2 0 346.544 3.014 20 0 EGADRP CC[C@@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCC1 ZINC000151673193 455015430 /nfs/dbraw/zinc/01/54/30/455015430.db2.gz VSUYPOUTOIEHEE-MJGOQNOKSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000155678363 455029859 /nfs/dbraw/zinc/02/98/59/455029859.db2.gz PSRNMQJBFSSTKM-FUHIMQAGSA-N 2 0 329.532 3.142 20 0 EGADRP C[C@H](C[NH+]1CCCCC1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151859750 455040611 /nfs/dbraw/zinc/04/06/11/455040611.db2.gz OOPJJEKROMNZPS-GOSISDBHSA-N 2 0 347.522 3.297 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155789720 455045908 /nfs/dbraw/zinc/04/59/08/455045908.db2.gz MCBUPJMYCIGCKS-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128419642 455055087 /nfs/dbraw/zinc/05/50/87/455055087.db2.gz GKWOJQJTFPLBRP-FQEVSTJZSA-N 2 0 335.511 3.010 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000151971370 455056180 /nfs/dbraw/zinc/05/61/80/455056180.db2.gz VDKWJVCUDDGWKW-LJQANCHMSA-N 2 0 331.504 3.046 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128433372 455056218 /nfs/dbraw/zinc/05/62/18/455056218.db2.gz RFVRLBLMYOLTKN-IBGZPJMESA-N 2 0 347.547 3.400 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000156039513 455075552 /nfs/dbraw/zinc/07/55/52/455075552.db2.gz QMGBDIIWSGXTGR-QFBILLFUSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+]1CCCCCC1 ZINC000128988350 455093388 /nfs/dbraw/zinc/09/33/88/455093388.db2.gz KEVAOKNJFSGPPJ-HDYDNRTBSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC000118782829 455111821 /nfs/dbraw/zinc/11/18/21/455111821.db2.gz AAGXFHZPSBJIIK-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[N@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000156670539 455143548 /nfs/dbraw/zinc/14/35/48/455143548.db2.gz XVDWKTNBJMIFTO-LJQANCHMSA-N 2 0 329.532 3.015 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237348086 455175810 /nfs/dbraw/zinc/17/58/10/455175810.db2.gz WTFNPPXGRCWGRX-QGZVFWFLSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157258938 455177659 /nfs/dbraw/zinc/17/76/59/455177659.db2.gz CEPOQINTSKMPHR-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237509206 455190149 /nfs/dbraw/zinc/19/01/49/455190149.db2.gz JPDLICLPMGZVGW-AJYBTWMASA-N 2 0 345.531 3.197 20 0 EGADRP CCc1cc(NC[C@H](c2ccco2)[NH+](C)C)nc(-c2ccncc2)n1 ZINC000264362305 455197685 /nfs/dbraw/zinc/19/76/85/455197685.db2.gz BVKLSAXOHNPHDL-MRXNPFEDSA-N 2 0 337.427 3.409 20 0 EGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954526 455198812 /nfs/dbraw/zinc/19/88/12/455198812.db2.gz BTUPQCHRKZQKDA-OAHLLOKOSA-N 2 0 343.437 3.336 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3([NH3+])CCCC3)cc2)C1 ZINC000237686632 455207626 /nfs/dbraw/zinc/20/76/26/455207626.db2.gz RMDXPMSJWGLNIE-CALCHBBNSA-N 2 0 343.515 3.052 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000183031652 455213774 /nfs/dbraw/zinc/21/37/74/455213774.db2.gz UBZFOHHLMITNOM-GOSISDBHSA-N 2 0 326.431 3.364 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H](C)C2 ZINC000181034993 455279673 /nfs/dbraw/zinc/27/96/73/455279673.db2.gz RUCXXFZTSVXHMT-KKSFZXQISA-N 2 0 339.483 3.354 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@H]21 ZINC000245514836 455319239 /nfs/dbraw/zinc/31/92/39/455319239.db2.gz GKIVDDMIDIWRLD-HLAWJBBLSA-N 2 0 344.499 3.161 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(-n2ccnc2C)c(F)c1)[NH+](CC)CC ZINC000265451023 455327654 /nfs/dbraw/zinc/32/76/54/455327654.db2.gz UBRZPDSSKZNUNP-KRWDZBQOSA-N 2 0 346.450 3.056 20 0 EGADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000245763450 455375194 /nfs/dbraw/zinc/37/51/94/455375194.db2.gz QMGBDIIWSGXTGR-LPHOPBHVSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000245935768 455402684 /nfs/dbraw/zinc/40/26/84/455402684.db2.gz JCGUMFGZXSQZQG-ZUMXRPEOSA-N 2 0 339.886 3.376 20 0 EGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182266413 455476240 /nfs/dbraw/zinc/47/62/40/455476240.db2.gz VGZKJVPYRFQEAH-BUKVSMQUSA-N 2 0 336.479 3.276 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000191496832 455490936 /nfs/dbraw/zinc/49/09/36/455490936.db2.gz SGUWAZGUEYBUDE-HXUWFJFHSA-N 2 0 347.572 3.193 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246837717 455529265 /nfs/dbraw/zinc/52/92/65/455529265.db2.gz OONSCMPWWAHJJJ-YSDSKTICSA-N 2 0 347.547 3.019 20 0 EGADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000185253615 455529630 /nfs/dbraw/zinc/52/96/30/455529630.db2.gz HJEWXOWKZKAKIC-FUHWJXTLSA-N 2 0 334.479 3.431 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000247024374 455545564 /nfs/dbraw/zinc/54/55/64/455545564.db2.gz URNZMXPIJGLCAA-SFTDATJTSA-N 2 0 330.516 3.034 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000267401125 455550243 /nfs/dbraw/zinc/55/02/43/455550243.db2.gz ZPVDKTAPNYWCLZ-QAPCUYQASA-N 2 0 349.544 3.122 20 0 EGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000182630617 455556251 /nfs/dbraw/zinc/55/62/51/455556251.db2.gz BMLAMYJCKGTSJL-PKOBYXMFSA-N 2 0 346.515 3.261 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000247096409 455558569 /nfs/dbraw/zinc/55/85/69/455558569.db2.gz OJINVIGAYKFHCH-QXAKKESOSA-N 3 0 333.520 3.150 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192138290 455562805 /nfs/dbraw/zinc/56/28/05/455562805.db2.gz GNNADEYTAIZWDF-ZWKOTPCHSA-N 2 0 335.398 3.370 20 0 EGADRP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000601021577 460679145 /nfs/dbraw/zinc/67/91/45/460679145.db2.gz DUSPGZXMSCIBAJ-SXLOBPIMSA-N 2 0 345.531 3.352 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)[C@H](C)C1 ZINC000283939872 455614651 /nfs/dbraw/zinc/61/46/51/455614651.db2.gz FJCFFDZMFRUWLT-LSTHTHJFSA-N 2 0 346.515 3.496 20 0 EGADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(-c3ccccn3)c2)CCCO1 ZINC000277625363 455617412 /nfs/dbraw/zinc/61/74/12/455617412.db2.gz BSDHWAQFGJFRTB-SFHVURJKSA-N 2 0 339.483 3.339 20 0 EGADRP COC(=O)C1CCC([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000192444006 455618546 /nfs/dbraw/zinc/61/85/46/455618546.db2.gz WUDJOXDOLDNXSN-IVMQYODDSA-N 2 0 332.488 3.218 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271445750 455638743 /nfs/dbraw/zinc/63/87/43/455638743.db2.gz CTFAHZDQRXLPGG-AEFFLSMTSA-N 2 0 332.488 3.379 20 0 EGADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271488628 455656837 /nfs/dbraw/zinc/65/68/37/455656837.db2.gz KDTZNDJPBQXVNX-PCCBWWKXSA-N 2 0 348.506 3.360 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271520762 455669997 /nfs/dbraw/zinc/66/99/97/455669997.db2.gz PLWSBZUZPIQVTL-JVPBZIDWSA-N 2 0 334.529 3.437 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000271523728 455671483 /nfs/dbraw/zinc/67/14/83/455671483.db2.gz VJBVBINQAWACET-RXVVDRJESA-N 2 0 348.531 3.354 20 0 EGADRP CC1(C)CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248149379 455688171 /nfs/dbraw/zinc/68/81/71/455688171.db2.gz QOHUUXRALSEJHD-MOPGFXCFSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccccc3)CCCC2)CC1 ZINC000192788062 455693632 /nfs/dbraw/zinc/69/36/32/455693632.db2.gz FYPLOJNEBNOLSW-UHFFFAOYSA-N 2 0 329.532 3.462 20 0 EGADRP CCc1ccc(C(C)(C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192789332 455693880 /nfs/dbraw/zinc/69/38/80/455693880.db2.gz YDAQKWVNTGBQDL-UHFFFAOYSA-N 2 0 331.548 3.490 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000192831159 455702314 /nfs/dbraw/zinc/70/23/14/455702314.db2.gz SAMRHWMVANNEHO-HNNXBMFYSA-N 2 0 334.460 3.074 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268804073 455714462 /nfs/dbraw/zinc/71/44/62/455714462.db2.gz IGNAKQHISKVDHJ-KXBFYZLASA-N 2 0 342.487 3.089 20 0 EGADRP CC(C)n1cc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000268924575 455731764 /nfs/dbraw/zinc/73/17/64/455731764.db2.gz XQQWRJCDMVCFFX-KRWDZBQOSA-N 2 0 344.503 3.298 20 0 EGADRP CCOc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc(Cl)c1OC ZINC000292691997 455732715 /nfs/dbraw/zinc/73/27/15/455732715.db2.gz BPJOJUYBDKUTSS-SFHVURJKSA-N 2 0 338.879 3.275 20 0 EGADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000271751331 455746831 /nfs/dbraw/zinc/74/68/31/455746831.db2.gz RSOGCGNRGSAZQK-INIZCTEOSA-N 2 0 344.421 3.449 20 0 EGADRP CCC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CCOCC1 ZINC000269012663 455762561 /nfs/dbraw/zinc/76/25/61/455762561.db2.gz XVFANVQNXIHYBN-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP CN(c1ccccc1C[NH2+]C1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000186444740 455770528 /nfs/dbraw/zinc/77/05/28/455770528.db2.gz WFLGXUGQYPTQPM-UHFFFAOYSA-N 2 0 349.522 3.474 20 0 EGADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249744138 455772214 /nfs/dbraw/zinc/77/22/14/455772214.db2.gz BKDSTCHPAKNSSV-FGTMMUONSA-N 2 0 345.531 3.311 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000278175500 455777643 /nfs/dbraw/zinc/77/76/43/455777643.db2.gz BHSPBCPKNYERBY-KRWDZBQOSA-N 3 0 345.531 3.152 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000269086278 455787009 /nfs/dbraw/zinc/78/70/09/455787009.db2.gz PMZHFUMIGGBHKC-SJORKVTESA-N 2 0 338.492 3.101 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(Cl)c1 ZINC000285267124 455814875 /nfs/dbraw/zinc/81/48/75/455814875.db2.gz XXFVTUFKVSALPS-TZUVLKIQSA-N 2 0 349.906 3.074 20 0 EGADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000285577002 455874047 /nfs/dbraw/zinc/87/40/47/455874047.db2.gz WOZFDLVXBYTDPJ-INIZCTEOSA-N 2 0 326.488 3.250 20 0 EGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000187164578 455876352 /nfs/dbraw/zinc/87/63/52/455876352.db2.gz GQQRFYMTBXZUGH-OAQYLSRUSA-N 2 0 331.548 3.117 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1-n1ccnn1 ZINC000285647218 455888153 /nfs/dbraw/zinc/88/81/53/455888153.db2.gz MAOSKZHTSXRWOU-SFHVURJKSA-N 2 0 341.503 3.430 20 0 EGADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000261605443 455910800 /nfs/dbraw/zinc/91/08/00/455910800.db2.gz CNDZGUWMBPKXCY-KZNAEPCWSA-N 2 0 332.488 3.147 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000285786663 455916412 /nfs/dbraw/zinc/91/64/12/455916412.db2.gz UKLQZSJLPKXSTO-MSOLQXFVSA-N 2 0 341.503 3.430 20 0 EGADRP C[NH2+][C@H]1CCCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261823528 455954411 /nfs/dbraw/zinc/95/44/11/455954411.db2.gz UUQKTKUPAWAJNU-SFHVURJKSA-N 2 0 337.467 3.366 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261886492 455966029 /nfs/dbraw/zinc/96/60/29/455966029.db2.gz VGMLBBGRXSCEGO-PKOBYXMFSA-N 2 0 343.515 3.067 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)c1ccsc1 ZINC000296543474 455969135 /nfs/dbraw/zinc/96/91/35/455969135.db2.gz UABABDLAGSEQGL-MSOLQXFVSA-N 2 0 345.512 3.256 20 0 EGADRP COc1ccc(C[N@H+](CCc2ccccn2)CC2CC[NH2+]CC2)cc1 ZINC000261928343 455973676 /nfs/dbraw/zinc/97/36/76/455973676.db2.gz LFCLCSONUJXYCW-UHFFFAOYSA-N 2 0 339.483 3.135 20 0 EGADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187967206 455974598 /nfs/dbraw/zinc/97/45/98/455974598.db2.gz NAYUFWHYERVDFF-NQIIRXRSSA-N 2 0 329.532 3.452 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272535376 455985786 /nfs/dbraw/zinc/98/57/86/455985786.db2.gz REJKRUFLZMEVEV-SCWSEQNSSA-N 2 0 342.458 3.359 20 0 EGADRP c1cnn(CCCCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000280528813 455990198 /nfs/dbraw/zinc/99/01/98/455990198.db2.gz SGYNSBLCVQQGQR-OYRHEFFESA-N 2 0 338.499 3.117 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000272588847 456004316 /nfs/dbraw/zinc/00/43/16/456004316.db2.gz RQXBOJWONGILBR-VNTMZGSJSA-N 2 0 340.467 3.122 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]1 ZINC000262343867 456026934 /nfs/dbraw/zinc/02/69/34/456026934.db2.gz GMJULVHWFUVVAO-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP CS[C@@H](CO)[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286336866 456027058 /nfs/dbraw/zinc/02/70/58/456027058.db2.gz YDBHESDKOIHZBC-HJZRJOMTSA-N 2 0 336.545 3.132 20 0 EGADRP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272665209 456031646 /nfs/dbraw/zinc/03/16/46/456031646.db2.gz SDAZVAITEQODCP-LCLWPZTBSA-N 2 0 327.516 3.112 20 0 EGADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272679697 456037389 /nfs/dbraw/zinc/03/73/89/456037389.db2.gz MSIKTZGLTJFNHN-SQEGATDGSA-N 2 0 330.516 3.284 20 0 EGADRP CSc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270828810 456048265 /nfs/dbraw/zinc/04/82/65/456048265.db2.gz CITMHSVQKBRDKL-UHFFFAOYSA-N 2 0 347.572 3.399 20 0 EGADRP C[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000296856239 456054115 /nfs/dbraw/zinc/05/41/15/456054115.db2.gz OWYCQMMZVNRTBU-HUUCEWRRSA-N 2 0 326.431 3.159 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262716399 456055129 /nfs/dbraw/zinc/05/51/29/456055129.db2.gz VSLOXNYUDLUZMB-FQEVSTJZSA-N 2 0 331.504 3.196 20 0 EGADRP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1Cl ZINC000272772242 456066301 /nfs/dbraw/zinc/06/63/01/456066301.db2.gz SWUUYZMQJIBRJC-PBHICJAKSA-N 2 0 345.874 3.152 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)c3ccccc3F)CC2)CC1 ZINC000270947045 456072958 /nfs/dbraw/zinc/07/29/58/456072958.db2.gz SGEJXKMHKQFDTG-QGZVFWFLSA-N 2 0 333.495 3.377 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000280917154 456080891 /nfs/dbraw/zinc/08/08/91/456080891.db2.gz GYWCWQBWWZMRIQ-UKRRQHHQSA-N 2 0 330.394 3.243 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1 ZINC000263066492 456086162 /nfs/dbraw/zinc/08/61/62/456086162.db2.gz VZWVDTOUBKJHOZ-NLWGTHIKSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccccc1 ZINC000263319111 456125281 /nfs/dbraw/zinc/12/52/81/456125281.db2.gz ZXWUEYQVLOVEQV-VPWXQRGCSA-N 2 0 331.504 3.140 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301514750 456135451 /nfs/dbraw/zinc/13/54/51/456135451.db2.gz LKULGAABUDBHDQ-SJORKVTESA-N 2 0 339.524 3.286 20 0 EGADRP CSc1cc2c(cc1CN(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)OCCO2 ZINC000289863731 456159088 /nfs/dbraw/zinc/15/90/88/456159088.db2.gz VLUZIWPYHZTUMC-XYPWUTKMSA-N 2 0 348.512 3.237 20 0 EGADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1OCCc2sccc21 ZINC000297339268 456191263 /nfs/dbraw/zinc/19/12/63/456191263.db2.gz FBGJIJXIKSUXHR-IFXJQAMLSA-N 2 0 343.496 3.404 20 0 EGADRP C[C@@H](NCc1ncccc1N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289966745 456198574 /nfs/dbraw/zinc/19/85/74/456198574.db2.gz XEQFXEKMJMDEPC-IEBWSBKVSA-N 2 0 338.499 3.148 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000236929007 456203064 /nfs/dbraw/zinc/20/30/64/456203064.db2.gz AIGZIZQAKVLLNV-FQEVSTJZSA-N 2 0 325.456 3.341 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000236936631 456203743 /nfs/dbraw/zinc/20/37/43/456203743.db2.gz GZYDMXSALPBJJA-IHWFROFDSA-N 2 0 343.515 3.065 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000281383507 456218536 /nfs/dbraw/zinc/21/85/36/456218536.db2.gz WICVFVCJIYZMCN-FQEVSTJZSA-N 2 0 345.531 3.218 20 0 EGADRP COCCC1(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000189093455 456223926 /nfs/dbraw/zinc/22/39/26/456223926.db2.gz YTCNZKMZHIYVBM-KDURUIRLSA-N 2 0 340.552 3.452 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000237074340 456227172 /nfs/dbraw/zinc/22/71/72/456227172.db2.gz ZFGSWGZTASGPHJ-UHFFFAOYSA-N 2 0 337.467 3.008 20 0 EGADRP CC[NH+]1CCC(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290177231 456260332 /nfs/dbraw/zinc/26/03/32/456260332.db2.gz NDLUYOPIANNBRI-FQEVSTJZSA-N 2 0 329.532 3.363 20 0 EGADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000290288720 456280199 /nfs/dbraw/zinc/28/01/99/456280199.db2.gz MQRVBZYJMPNCPH-SJLPKXTDSA-N 2 0 337.483 3.420 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000297747207 456286350 /nfs/dbraw/zinc/28/63/50/456286350.db2.gz UAHBPAXFLYIKTP-MOPGFXCFSA-N 2 0 336.907 3.240 20 0 EGADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CCCC34CCCC4)CC2)cc[nH+]1 ZINC000340214485 456318609 /nfs/dbraw/zinc/31/86/09/456318609.db2.gz ICVMJQZDZRRQPB-HXUWFJFHSA-N 2 0 342.531 3.296 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290487819 456342282 /nfs/dbraw/zinc/34/22/82/456342282.db2.gz XQCAAUIENMSQMW-IERDGZPVSA-N 2 0 339.483 3.435 20 0 EGADRP CN(C)Cc1cnc(CNCc2cccnc2OC2CCCC2)s1 ZINC000352830720 456344364 /nfs/dbraw/zinc/34/43/64/456344364.db2.gz UZZGZCBDRDUZMO-UHFFFAOYSA-N 2 0 346.500 3.211 20 0 EGADRP CCOC(=O)CCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352831680 456346358 /nfs/dbraw/zinc/34/63/58/456346358.db2.gz MPARWKQNJZBFIB-OAQYLSRUSA-N 2 0 344.499 3.318 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275930800 456352646 /nfs/dbraw/zinc/35/26/46/456352646.db2.gz XLQGRVPJZXPSIN-PMACEKPBSA-N 2 0 330.516 3.322 20 0 EGADRP Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000290721865 456413879 /nfs/dbraw/zinc/41/38/79/456413879.db2.gz OSLUZWGIICLOAX-GFCCVEGCSA-N 2 0 337.265 3.480 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000282144958 456423843 /nfs/dbraw/zinc/42/38/43/456423843.db2.gz ZWVIIFSYZHBONG-KRWDZBQOSA-N 2 0 344.421 3.144 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000298359892 456435578 /nfs/dbraw/zinc/43/55/78/456435578.db2.gz KDASZVPKHWENOZ-UHFFFAOYSA-N 2 0 327.516 3.115 20 0 EGADRP O[C@H](C[NH2+]C1CCN(C2CC2)CC1)c1c(Cl)cccc1Cl ZINC000298534925 456483266 /nfs/dbraw/zinc/48/32/66/456483266.db2.gz SJXZPJKEHFBSTL-OAHLLOKOSA-N 2 0 329.271 3.243 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)s2)cn1 ZINC000282368238 456492509 /nfs/dbraw/zinc/49/25/09/456492509.db2.gz XYTGSEPZNOBNLG-UHFFFAOYSA-N 2 0 330.501 3.113 20 0 EGADRP Cc1ccoc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000343270206 456498596 /nfs/dbraw/zinc/49/85/96/456498596.db2.gz MPWFXUPEKQZUGF-IBGZPJMESA-N 2 0 327.472 3.056 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000298621928 456502812 /nfs/dbraw/zinc/50/28/12/456502812.db2.gz PFIWOURJAIJSTQ-IXDOHACOSA-N 2 0 347.503 3.135 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000340523438 456508238 /nfs/dbraw/zinc/50/82/38/456508238.db2.gz DEHHOONHSPMSPJ-UYAOXDASSA-N 2 0 328.504 3.408 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000282466257 456524474 /nfs/dbraw/zinc/52/44/74/456524474.db2.gz OZTAOGZXQYIFLJ-MISYRCLQSA-N 2 0 329.532 3.359 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187920 456524747 /nfs/dbraw/zinc/52/47/47/456524747.db2.gz QJUKWVSUVJPKRZ-FCHUYYIVSA-N 2 0 341.543 3.459 20 0 EGADRP Cc1nccn1CCC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000298787749 456540765 /nfs/dbraw/zinc/54/07/65/456540765.db2.gz PWQBWOYQBDUTKV-UHFFFAOYSA-N 2 0 346.866 3.350 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000348254720 456573762 /nfs/dbraw/zinc/57/37/62/456573762.db2.gz FTQJAMGEKCZALA-HKUYNNGSSA-N 2 0 343.515 3.161 20 0 EGADRP CCN1CCC([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000310051947 456577667 /nfs/dbraw/zinc/57/76/67/456577667.db2.gz MUPNQIGOUGWVER-QGZVFWFLSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000310056473 456578932 /nfs/dbraw/zinc/57/89/32/456578932.db2.gz LQIQPQBPDWOCHR-INMHGKMJSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000291286720 456592209 /nfs/dbraw/zinc/59/22/09/456592209.db2.gz VIAYHCBYIVFSBU-INIZCTEOSA-N 2 0 344.503 3.130 20 0 EGADRP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000348323126 456621764 /nfs/dbraw/zinc/62/17/64/456621764.db2.gz JJKSHEBZRLMBKZ-UXPWSPDFSA-N 2 0 333.520 3.006 20 0 EGADRP CC1CC[NH+](Cc2nc(-c3cccc(Cn4ccnc4)c3)no2)CC1 ZINC000276925880 456622166 /nfs/dbraw/zinc/62/21/66/456622166.db2.gz NHMSOTVNSIVBKV-UHFFFAOYSA-N 2 0 337.427 3.213 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000276946927 456629279 /nfs/dbraw/zinc/62/92/79/456629279.db2.gz UWUOIQYSIQWXGG-INIZCTEOSA-N 2 0 327.476 3.040 20 0 EGADRP CN(c1ccccc1C[N@H+](C)CC[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000343492945 456657649 /nfs/dbraw/zinc/65/76/49/456657649.db2.gz OIKYXIWQCYKEED-HXUWFJFHSA-N 2 0 345.531 3.218 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)[C@H](C)C1 ZINC000277032503 456659756 /nfs/dbraw/zinc/65/97/56/456659756.db2.gz FJVRGAFBXMPUGQ-UMSONDCASA-N 2 0 348.506 3.219 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660107 /nfs/dbraw/zinc/66/01/07/456660107.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 2 0 329.532 3.348 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000324677031 456672720 /nfs/dbraw/zinc/67/27/20/456672720.db2.gz PVZWCPWQLYTEJN-LJQANCHMSA-N 2 0 331.504 3.045 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277166780 456704729 /nfs/dbraw/zinc/70/47/29/456704729.db2.gz KNYSZYJIOAZSGE-HUUCEWRRSA-N 2 0 337.895 3.392 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000327763689 456709472 /nfs/dbraw/zinc/70/94/72/456709472.db2.gz QCCVTHOORLBSQE-VQTJNVASSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328215129 456710775 /nfs/dbraw/zinc/71/07/75/456710775.db2.gz JSFYFQYHGSHHAB-YYWHXJBOSA-N 2 0 336.479 3.490 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000283371391 456766949 /nfs/dbraw/zinc/76/69/49/456766949.db2.gz SIPXWUMIHQQZPN-IBGZPJMESA-N 2 0 333.495 3.031 20 0 EGADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969396 456814127 /nfs/dbraw/zinc/81/41/27/456814127.db2.gz RYXNYDIPMPWCJQ-OIISXLGYSA-N 2 0 342.405 3.155 20 0 EGADRP Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000348756632 456842696 /nfs/dbraw/zinc/84/26/96/456842696.db2.gz PQYGDXDRTFKCHP-NHCUHLMSSA-N 2 0 340.515 3.254 20 0 EGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000292109348 456857101 /nfs/dbraw/zinc/85/71/01/456857101.db2.gz KBWAGRDVJOGWHH-QAPCUYQASA-N 2 0 333.520 3.405 20 0 EGADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000353740160 456882097 /nfs/dbraw/zinc/88/20/97/456882097.db2.gz CESLAOZULUEIOJ-LJQANCHMSA-N 2 0 331.504 3.273 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752085 456890337 /nfs/dbraw/zinc/89/03/37/456890337.db2.gz ZWTRDRUSUCXPFK-GDBMZVCRSA-N 2 0 336.476 3.017 20 0 EGADRP CC[N@@H+]1CC[C@H](N[C@H](CC[NH+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000345155691 456945919 /nfs/dbraw/zinc/94/59/19/456945919.db2.gz CTFJDFGVRLDDJY-HLAWJBBLSA-N 2 0 347.547 3.016 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]CC3=CC[N@H+](C)CC3)cc2)cs1 ZINC000345180526 456955395 /nfs/dbraw/zinc/95/53/95/456955395.db2.gz YINANOMVZAXKQD-UHFFFAOYSA-N 2 0 343.496 3.382 20 0 EGADRP CCN(CCC[NH+]1CCCC1)Cc1ccnn1-c1ccccc1C ZINC000349387101 456960929 /nfs/dbraw/zinc/96/09/29/456960929.db2.gz UTSTTXILZADCLH-UHFFFAOYSA-N 2 0 326.488 3.489 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000349411420 456964742 /nfs/dbraw/zinc/96/47/42/456964742.db2.gz WWNGKFQFDFMZLW-UHFFFAOYSA-N 2 0 335.883 3.084 20 0 EGADRP CCOC(=O)c1coc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000353933849 456970825 /nfs/dbraw/zinc/97/08/25/456970825.db2.gz WRKDDDTXNSYWOP-HZPDHXFCSA-N 2 0 336.476 3.304 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000354025760 457017809 /nfs/dbraw/zinc/01/78/09/457017809.db2.gz JARVRQNIZNJYGR-UHFFFAOYSA-N 2 0 329.488 3.491 20 0 EGADRP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000339280521 457037596 /nfs/dbraw/zinc/03/75/96/457037596.db2.gz HCGAKHQJVRLVMQ-MISYRCLQSA-N 2 0 345.531 3.086 20 0 EGADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000359206375 457063100 /nfs/dbraw/zinc/06/31/00/457063100.db2.gz HOPCPLJVNACOPX-IRXDYDNUSA-N 2 0 343.298 3.273 20 0 EGADRP CC(C)SCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000342073219 457092455 /nfs/dbraw/zinc/09/24/55/457092455.db2.gz NOZJFJLMFQUOIO-UHFFFAOYSA-N 2 0 341.952 3.323 20 0 EGADRP CSC1(C[NH2+]Cc2conc2Cc2ccccc2)CC[NH+](C)CC1 ZINC000339402047 457094707 /nfs/dbraw/zinc/09/47/07/457094707.db2.gz FAHKCBHNCNLRJD-UHFFFAOYSA-N 2 0 345.512 3.182 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000346685954 457110397 /nfs/dbraw/zinc/11/03/97/457110397.db2.gz RFTKQZFEIPVMJB-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342105128 457110941 /nfs/dbraw/zinc/11/09/41/457110941.db2.gz NVELNBXHOIJXPR-QXAKKESOSA-N 2 0 337.467 3.228 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000342107288 457111896 /nfs/dbraw/zinc/11/18/96/457111896.db2.gz PSLAZKYOOITLQJ-JBDAPHQKSA-N 2 0 343.515 3.092 20 0 EGADRP CSc1ccc([C@H](C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)N(C)C)cc1 ZINC000339590271 457158348 /nfs/dbraw/zinc/15/83/48/457158348.db2.gz HYHVVQZGGUUEEX-ALKREAHSSA-N 2 0 333.545 3.226 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000346796451 457175379 /nfs/dbraw/zinc/17/53/79/457175379.db2.gz PQQIBGUZVDFSLI-GOSISDBHSA-N 2 0 338.499 3.301 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000356861671 457184252 /nfs/dbraw/zinc/18/42/52/457184252.db2.gz HTKZLCKPJOBFLY-GXTWGEPZSA-N 2 0 346.393 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871755 457189668 /nfs/dbraw/zinc/18/96/68/457189668.db2.gz OYEFEZDJLCWKBG-HNNXBMFYSA-N 2 0 335.458 3.113 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356901408 457208779 /nfs/dbraw/zinc/20/87/79/457208779.db2.gz PNIORODZZIKOKX-MJGOQNOKSA-N 2 0 334.504 3.312 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347062637 457211482 /nfs/dbraw/zinc/21/14/82/457211482.db2.gz ZZSJQLSJONHQLP-OXQOHEQNSA-N 2 0 340.515 3.416 20 0 EGADRP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357007434 457271791 /nfs/dbraw/zinc/27/17/91/457271791.db2.gz DAFZFGGPVLPMCJ-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP Brc1csc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357043478 457294364 /nfs/dbraw/zinc/29/43/64/457294364.db2.gz GINDXDDRONARNS-GFCCVEGCSA-N 2 0 329.307 3.332 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357051390 457298435 /nfs/dbraw/zinc/29/84/35/457298435.db2.gz NBQFHWXVSHTLSL-GOSISDBHSA-N 2 0 332.488 3.306 20 0 EGADRP CCOc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1OCC ZINC000357055472 457301759 /nfs/dbraw/zinc/30/17/59/457301759.db2.gz RQRCDQWXNPYXJU-SFHVURJKSA-N 2 0 332.488 3.306 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)n1 ZINC000357078992 457310187 /nfs/dbraw/zinc/31/01/87/457310187.db2.gz KTUGWCDEALVUFZ-HXUWFJFHSA-N 2 0 338.499 3.311 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357108123 457326071 /nfs/dbraw/zinc/32/60/71/457326071.db2.gz SWENUBVLUWAHMU-GDBMZVCRSA-N 2 0 347.528 3.057 20 0 EGADRP Cc1ccc([C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C2CCCC2)o1 ZINC000342490701 457331985 /nfs/dbraw/zinc/33/19/85/457331985.db2.gz OIZBBRRRESWICZ-HXUWFJFHSA-N 2 0 333.520 3.435 20 0 EGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCc3ccncc3)CC2)C[C@@H](C)O1 ZINC000347302842 457341175 /nfs/dbraw/zinc/34/11/75/457341175.db2.gz PHRQHAWDRSSCLG-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000357314269 457439535 /nfs/dbraw/zinc/43/95/35/457439535.db2.gz YROSYUXVWHQHGO-FRQCXROJSA-N 2 0 331.504 3.035 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000360944723 457451004 /nfs/dbraw/zinc/45/10/04/457451004.db2.gz AEHDTISJMFCQDV-QGZVFWFLSA-N 2 0 342.462 3.084 20 0 EGADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000342695693 457461363 /nfs/dbraw/zinc/46/13/63/457461363.db2.gz PRLNAMXIWZFGTN-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1ccc2c(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cc(=O)oc2c1 ZINC000374073793 457468560 /nfs/dbraw/zinc/46/85/60/457468560.db2.gz DNIITJSBRHXLGA-UHFFFAOYSA-N 2 0 340.467 3.409 20 0 EGADRP Fc1ccc(Br)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000394022523 457469626 /nfs/dbraw/zinc/46/96/26/457469626.db2.gz DFOBTUTUNYYHMJ-TXEJJXNPSA-N 2 0 327.241 3.020 20 0 EGADRP C[C@@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000347527568 457486146 /nfs/dbraw/zinc/48/61/46/457486146.db2.gz RZSCPPUETQZZCH-QGZVFWFLSA-N 2 0 349.478 3.026 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397501297 457488708 /nfs/dbraw/zinc/48/87/08/457488708.db2.gz ACFVWWBRNJUZKD-LJQANCHMSA-N 2 0 345.531 3.039 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399107835 457506780 /nfs/dbraw/zinc/50/67/80/457506780.db2.gz YGCIOXSIEAYETO-BBWFWOEESA-N 2 0 339.524 3.094 20 0 EGADRP Clc1ccc2c(c1)[C@H]([NH+]1CCC(C[NH+]3CCOCC3)CC1)CC2 ZINC000342765115 457509897 /nfs/dbraw/zinc/50/98/97/457509897.db2.gz LVROTOLPFOCWJJ-LJQANCHMSA-N 2 0 334.891 3.372 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000356184569 457515141 /nfs/dbraw/zinc/51/51/41/457515141.db2.gz WKYLFGAREDRRFH-UHFFFAOYSA-N 2 0 328.859 3.112 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000342789732 457530164 /nfs/dbraw/zinc/53/01/64/457530164.db2.gz MFLTXWFANXMMKU-IBGZPJMESA-N 2 0 333.520 3.150 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000356272690 457557514 /nfs/dbraw/zinc/55/75/14/457557514.db2.gz WLAMBEDNBKGEEI-ICSRJNTNSA-N 2 0 343.515 3.032 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCSC3CCCCC3)C2)CC1 ZINC000374278222 457563283 /nfs/dbraw/zinc/56/32/83/457563283.db2.gz DQIFXVPCJCYKHZ-SFHVURJKSA-N 2 0 339.593 3.153 20 0 EGADRP CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357532749 457583081 /nfs/dbraw/zinc/58/30/81/457583081.db2.gz VKOKEVPTFCWQSC-PXNSSMCTSA-N 2 0 343.515 3.162 20 0 EGADRP CCCCCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364412134 457596423 /nfs/dbraw/zinc/59/64/23/457596423.db2.gz ZLEVDQFLUBZFIX-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H]1CC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000370267227 457604009 /nfs/dbraw/zinc/60/40/09/457604009.db2.gz RCPKHWXYFJWBLF-HOTGVXAUSA-N 2 0 332.488 3.205 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000364450150 457608732 /nfs/dbraw/zinc/60/87/32/457608732.db2.gz UPSXPTWMUOIQJF-IPELMVKDSA-N 2 0 344.503 3.494 20 0 EGADRP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000357594482 457613148 /nfs/dbraw/zinc/61/31/48/457613148.db2.gz FHUWNWQUJZPZCQ-SJORKVTESA-N 2 0 331.847 3.024 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000357611007 457621165 /nfs/dbraw/zinc/62/11/65/457621165.db2.gz UONURZUDWUHOCX-MJGOQNOKSA-N 2 0 348.535 3.097 20 0 EGADRP CSC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCC1 ZINC000356438116 457625526 /nfs/dbraw/zinc/62/55/26/457625526.db2.gz MDMLTJUQNJFAKS-SFHVURJKSA-N 2 0 334.529 3.019 20 0 EGADRP Clc1ccc(CN2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000374445365 457629614 /nfs/dbraw/zinc/62/96/14/457629614.db2.gz YXZVKDLNZIUNBR-SFHVURJKSA-N 2 0 344.890 3.175 20 0 EGADRP c1c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425895667 457649179 /nfs/dbraw/zinc/64/91/79/457649179.db2.gz KGAKTKJHWWYJCO-PXNSSMCTSA-N 2 0 341.455 3.009 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)C2)CC1 ZINC000364661452 457667660 /nfs/dbraw/zinc/66/76/60/457667660.db2.gz POSPVEUBQJPGEY-ACRUOGEOSA-N 2 0 341.543 3.156 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000364684774 457673075 /nfs/dbraw/zinc/67/30/75/457673075.db2.gz JPIKQSJQVLIPJE-HOTGVXAUSA-N 2 0 336.549 3.070 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CCN1C ZINC000370616198 457682547 /nfs/dbraw/zinc/68/25/47/457682547.db2.gz PPBHPBXUSNPDEC-KBMXLJTQSA-N 2 0 341.421 3.356 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCSc4c(F)cccc43)C2)CC1 ZINC000370638399 457688945 /nfs/dbraw/zinc/68/89/45/457688945.db2.gz XKGKSZCNTXNNEF-KBXCAEBGSA-N 2 0 349.519 3.121 20 0 EGADRP C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364797975 457695188 /nfs/dbraw/zinc/69/51/88/457695188.db2.gz ITLCNRWLUZCOGE-INIZCTEOSA-N 2 0 339.886 3.079 20 0 EGADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000361340279 457699020 /nfs/dbraw/zinc/69/90/20/457699020.db2.gz BWDZHKAIOVICSA-QGZVFWFLSA-N 2 0 342.487 3.228 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000433132915 457762398 /nfs/dbraw/zinc/76/23/98/457762398.db2.gz NCWOPKHGQIORAE-UXHICEINSA-N 2 0 343.515 3.032 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000361523986 457769517 /nfs/dbraw/zinc/76/95/17/457769517.db2.gz IBIZMOTXKRAFAJ-QUCCMNQESA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000375088167 457786491 /nfs/dbraw/zinc/78/64/91/457786491.db2.gz QEUAGZAAYQQGJJ-CABCVRRESA-N 2 0 336.549 3.086 20 0 EGADRP CCOC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411149387 457813458 /nfs/dbraw/zinc/81/34/58/457813458.db2.gz QWIIVMNAGXTVLH-UHFFFAOYSA-N 2 0 344.499 3.448 20 0 EGADRP Cc1ccc2ncc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2c1 ZINC000411245618 457839700 /nfs/dbraw/zinc/83/97/00/457839700.db2.gz PIOUFJRSCRELHQ-QGZVFWFLSA-N 2 0 341.499 3.068 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000371310483 457859309 /nfs/dbraw/zinc/85/93/09/457859309.db2.gz LGTFZTIRIJWFCX-INIZCTEOSA-N 2 0 348.516 3.071 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)C2)CC1 ZINC000371333655 457871513 /nfs/dbraw/zinc/87/15/13/457871513.db2.gz FBCDZAWOFYAZLS-ZIFCJYIRSA-N 2 0 331.504 3.003 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000361824752 457887659 /nfs/dbraw/zinc/88/76/59/457887659.db2.gz GLPOODSMWPUAEF-IBGZPJMESA-N 2 0 326.488 3.487 20 0 EGADRP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257628 457892513 /nfs/dbraw/zinc/89/25/13/457892513.db2.gz SFSWIGIMHOYXBM-OXJNMPFZSA-N 2 0 326.440 3.196 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000426795788 457904646 /nfs/dbraw/zinc/90/46/46/457904646.db2.gz YONPAHNWBFVTEB-KDURUIRLSA-N 2 0 346.515 3.277 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000411512170 457907791 /nfs/dbraw/zinc/90/77/91/457907791.db2.gz ANBYJGQJRVCIDH-SJORKVTESA-N 2 0 337.552 3.170 20 0 EGADRP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609181 457917678 /nfs/dbraw/zinc/91/76/78/457917678.db2.gz ALAGWXTUZRJIGO-SFHVURJKSA-N 2 0 326.488 3.377 20 0 EGADRP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000358328399 457936891 /nfs/dbraw/zinc/93/68/91/457936891.db2.gz LNAFKSCCNDIECS-LJQANCHMSA-N 2 0 334.467 3.360 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C2CCC2)cc1 ZINC000427694823 458023925 /nfs/dbraw/zinc/02/39/25/458023925.db2.gz DVNHNZOLWFCPCI-UXHICEINSA-N 2 0 343.515 3.013 20 0 EGADRP OC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000358577742 458088124 /nfs/dbraw/zinc/08/81/24/458088124.db2.gz UYAAOZGSXINMKW-LHBDJYESSA-N 2 0 328.500 3.180 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2ccsc21 ZINC000362297635 458090007 /nfs/dbraw/zinc/09/00/07/458090007.db2.gz PQTVIBSIDOPNKD-UHFFFAOYSA-N 2 0 347.528 3.247 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OCC(F)(F)F ZINC000435369249 458120329 /nfs/dbraw/zinc/12/03/29/458120329.db2.gz DVCVRINQWIZLIX-OCCSQVGLSA-N 2 0 346.393 3.196 20 0 EGADRP C[C@H]([NH2+]CCN1CCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428325731 458120710 /nfs/dbraw/zinc/12/07/10/458120710.db2.gz NTMJXVMSSQLVKP-HKUYNNGSSA-N 2 0 327.516 3.292 20 0 EGADRP CC(C)[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000376098311 458194141 /nfs/dbraw/zinc/19/41/41/458194141.db2.gz VFMJZSWUIOUGQT-NHCUHLMSSA-N 2 0 329.532 3.138 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428856309 458221848 /nfs/dbraw/zinc/22/18/48/458221848.db2.gz MCZIAMBMJGGHRO-UHFFFAOYSA-N 2 0 349.466 3.274 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376203021 458233161 /nfs/dbraw/zinc/23/31/61/458233161.db2.gz ILOKWUQPUWNAAO-GCJKJVERSA-N 2 0 337.511 3.298 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362521980 458243494 /nfs/dbraw/zinc/24/34/94/458243494.db2.gz ACRFCPNCVQLNCK-ROUUACIJSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362521978 458243692 /nfs/dbraw/zinc/24/36/92/458243692.db2.gz ACRFCPNCVQLNCK-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000369561687 458267200 /nfs/dbraw/zinc/26/72/00/458267200.db2.gz PFJXAZABLKTSFB-QRVBRYPASA-N 2 0 332.536 3.404 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000429104577 458272023 /nfs/dbraw/zinc/27/20/23/458272023.db2.gz GLACJAOCPNTDHP-FQEVSTJZSA-N 2 0 339.483 3.348 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1)C(C)C ZINC000429153503 458282585 /nfs/dbraw/zinc/28/25/85/458282585.db2.gz VSRGPPHWPIKESM-VQIMIIECSA-N 2 0 331.504 3.116 20 0 EGADRP C[C@]1(O)CCC[NH+](CCCCCC[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000376437167 458299342 /nfs/dbraw/zinc/29/93/42/458299342.db2.gz ZBMXJBRLHQGGDJ-PMACEKPBSA-N 2 0 340.552 3.021 20 0 EGADRP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000436403414 458299841 /nfs/dbraw/zinc/29/98/41/458299841.db2.gz APENXWOYWQHFGJ-HKUYNNGSSA-N 2 0 339.483 3.481 20 0 EGADRP COC(=O)c1coc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000447546744 458309060 /nfs/dbraw/zinc/30/90/60/458309060.db2.gz YMDFJGQKAHTEMR-XHSDSOJGSA-N 2 0 336.476 3.475 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369686738 458316673 /nfs/dbraw/zinc/31/66/73/458316673.db2.gz ZUIQENLOKZDSJW-LJQANCHMSA-N 2 0 337.552 3.223 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000447595018 458319629 /nfs/dbraw/zinc/31/96/29/458319629.db2.gz KKAXULNXSUWWOO-IBGZPJMESA-N 2 0 347.890 3.187 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000447603188 458321063 /nfs/dbraw/zinc/32/10/63/458321063.db2.gz VNFBGIKEMKHPSM-YLJYHZDGSA-N 2 0 345.531 3.295 20 0 EGADRP CCCCC[C@@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369726080 458327359 /nfs/dbraw/zinc/32/73/59/458327359.db2.gz CYDWBEFLQPJKAZ-MJGOQNOKSA-N 2 0 337.552 3.220 20 0 EGADRP CCOc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Cl)c1O ZINC000459354666 458340780 /nfs/dbraw/zinc/34/07/80/458340780.db2.gz JLMKCCWNOMFJHD-GOEBONIOSA-N 2 0 338.879 3.360 20 0 EGADRP CCOc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Cl)c1O ZINC000459354667 458341340 /nfs/dbraw/zinc/34/13/40/458341340.db2.gz JLMKCCWNOMFJHD-HOCLYGCPSA-N 2 0 338.879 3.360 20 0 EGADRP CC1(C)CN(C2(C[NH2+]C3CCN(C4CC4)CC3)CCCCC2)CCO1 ZINC000459417977 458364317 /nfs/dbraw/zinc/36/43/17/458364317.db2.gz SJTGXBLFOQAMFU-UHFFFAOYSA-N 2 0 349.563 3.017 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]1SC ZINC000459429588 458368918 /nfs/dbraw/zinc/36/89/18/458368918.db2.gz PNMMQGLLNWSTEG-RCCFBDPRSA-N 2 0 326.550 3.282 20 0 EGADRP CC(C)OC1CC([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000459502381 458393022 /nfs/dbraw/zinc/39/30/22/458393022.db2.gz PAZWGUSYGGRHNK-KREBGBLKSA-N 2 0 328.500 3.396 20 0 EGADRP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449840 458434587 /nfs/dbraw/zinc/43/45/87/458434587.db2.gz WRQZLRUQOWLNQK-BHYGNILZSA-N 2 0 335.289 3.414 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423459903 458436293 /nfs/dbraw/zinc/43/62/93/458436293.db2.gz AGCZWFMQHJVPAG-SFUIVIKGSA-N 2 0 330.472 3.275 20 0 EGADRP COCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423478055 458438322 /nfs/dbraw/zinc/43/83/22/458438322.db2.gz SZJZXDXAJWXBCR-BWPNAZKDSA-N 2 0 334.479 3.314 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000423477912 458438540 /nfs/dbraw/zinc/43/85/40/458438540.db2.gz SPNGEDSLQFYFRG-NWANDNLSSA-N 2 0 337.305 3.414 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423480410 458439673 /nfs/dbraw/zinc/43/96/73/458439673.db2.gz WBVUKDDJZNIZTC-BIRZXAFVSA-N 3 0 341.543 3.394 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCNCC1(F)F)c1nc(C(F)(F)F)cs1 ZINC000423484997 458441329 /nfs/dbraw/zinc/44/13/29/458441329.db2.gz SSSLYXSZFWSSPX-HTQZYQBOSA-N 2 0 329.338 3.057 20 0 EGADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000423503831 458444884 /nfs/dbraw/zinc/44/48/84/458444884.db2.gz GHQHKKCSHIMXAB-WMLDXEAASA-N 2 0 339.439 3.148 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423504290 458445005 /nfs/dbraw/zinc/44/50/05/458445005.db2.gz KYBDGFCQCYOHSX-LXHROKJGSA-N 3 0 341.543 3.394 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1-c1ccc(F)cc1 ZINC000423536994 458455431 /nfs/dbraw/zinc/45/54/31/458455431.db2.gz BNRHVSMNKDHKEU-OWIUFQIYSA-N 2 0 342.462 3.359 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423551089 458455912 /nfs/dbraw/zinc/45/59/12/458455912.db2.gz TVCNEPSVCYVIOY-FEEKASPWSA-N 3 0 341.543 3.407 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423553847 458456927 /nfs/dbraw/zinc/45/69/27/458456927.db2.gz WDFYEPBJFPBGAA-XMTFNYHQSA-N 2 0 332.488 3.003 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430548266 458459150 /nfs/dbraw/zinc/45/91/50/458459150.db2.gz BUBBVKQACYNLPY-SJLPKXTDSA-N 2 0 325.456 3.220 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1O ZINC000459729714 458460244 /nfs/dbraw/zinc/46/02/44/458460244.db2.gz DMNOWOICUXCCBX-ZDUSSCGKSA-N 2 0 326.868 3.266 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000459730026 458461222 /nfs/dbraw/zinc/46/12/22/458461222.db2.gz JRZCRTUFZPOWLI-FQEVSTJZSA-N 2 0 329.532 3.015 20 0 EGADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC(C)(C)C1 ZINC000459733807 458461816 /nfs/dbraw/zinc/46/18/16/458461816.db2.gz BWKSQLLJHHMFJQ-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000430592839 458467803 /nfs/dbraw/zinc/46/78/03/458467803.db2.gz IFIRSNHQODDLIH-CQSZACIVSA-N 2 0 337.895 3.297 20 0 EGADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430609145 458470159 /nfs/dbraw/zinc/47/01/59/458470159.db2.gz GYGQIFBJVVRYCM-HNNXBMFYSA-N 2 0 346.450 3.048 20 0 EGADRP C[NH2+]C[C@@H]1CCCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619186 458472190 /nfs/dbraw/zinc/47/21/90/458472190.db2.gz ZQSMXLSUJCOGRZ-STQMWFEESA-N 2 0 334.851 3.382 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000373371309 458473812 /nfs/dbraw/zinc/47/38/12/458473812.db2.gz YJTBHHCAFNWWDM-LNLFQRSKSA-N 2 0 343.515 3.059 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000430772803 458491129 /nfs/dbraw/zinc/49/11/29/458491129.db2.gz NKEYARGRIULWLC-FRYIKTPZSA-N 2 0 345.531 3.339 20 0 EGADRP C[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000430840506 458497298 /nfs/dbraw/zinc/49/72/98/458497298.db2.gz XRQKPGWQLYNNSP-WMZOPIPTSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@@H](C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000437848326 458501839 /nfs/dbraw/zinc/50/18/39/458501839.db2.gz TUSBPRKIMFZDAW-ZMMAXQRCSA-N 2 0 335.536 3.161 20 0 EGADRP Fc1ccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377760050 458514757 /nfs/dbraw/zinc/51/47/57/458514757.db2.gz INHNVKJTPBMGDF-QZTJIDSGSA-N 2 0 325.431 3.175 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1)c1ccccc1 ZINC000460383846 458515055 /nfs/dbraw/zinc/51/50/55/458515055.db2.gz IGTFOOUVDMSWCZ-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000431042422 458520626 /nfs/dbraw/zinc/52/06/26/458520626.db2.gz HKSHFGLUYHDMHS-AJYBTWMASA-N 2 0 343.515 3.029 20 0 EGADRP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075720 458524253 /nfs/dbraw/zinc/52/42/53/458524253.db2.gz GLGNORBWJWWIGY-JKSUJKDBSA-N 2 0 328.460 3.422 20 0 EGADRP C[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000423968796 458525283 /nfs/dbraw/zinc/52/52/83/458525283.db2.gz KRFMEAGJYKHFRH-YLJYHZDGSA-N 2 0 339.483 3.103 20 0 EGADRP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431088152 458527801 /nfs/dbraw/zinc/52/78/01/458527801.db2.gz CWKNJNVJKBQFRC-HZPDHXFCSA-N 2 0 328.460 3.340 20 0 EGADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424008285 458536511 /nfs/dbraw/zinc/53/65/11/458536511.db2.gz WAVDDSZTIWTXMF-OAQYLSRUSA-N 2 0 349.478 3.069 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000461225976 458552591 /nfs/dbraw/zinc/55/25/91/458552591.db2.gz KXDAWVGKSBVFOC-ZHALLVOQSA-N 2 0 348.535 3.097 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)CC(C)C ZINC000469129594 458555872 /nfs/dbraw/zinc/55/58/72/458555872.db2.gz QLFQHDGHKOSHCH-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462057927 458591117 /nfs/dbraw/zinc/59/11/17/458591117.db2.gz KVYRVUAGDUTMPL-HDICACEKSA-N 2 0 335.536 3.164 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000431600194 458594393 /nfs/dbraw/zinc/59/43/93/458594393.db2.gz NGMHURBQFZCOCQ-LJQANCHMSA-N 2 0 331.504 3.065 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)c1 ZINC000438553015 458596098 /nfs/dbraw/zinc/59/60/98/458596098.db2.gz MLBDNIWHDCZKLC-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3ccccc3n1C(F)F)CC[NH2+]CC2 ZINC000424297591 458607476 /nfs/dbraw/zinc/60/74/76/458607476.db2.gz TUBUXWWDVKSWLO-CYBMUJFWSA-N 2 0 334.414 3.395 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000424439636 458644949 /nfs/dbraw/zinc/64/49/49/458644949.db2.gz SHXFYJFLNDAMGP-UHFFFAOYSA-N 2 0 344.503 3.372 20 0 EGADRP CC1(C)CCC[N@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463238687 458685443 /nfs/dbraw/zinc/68/54/43/458685443.db2.gz XLPLQGPAXULREG-UHFFFAOYSA-N 2 0 343.559 3.405 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NCC1([NH+](C)C)CCCCC1)C(C)C ZINC000503961184 458733313 /nfs/dbraw/zinc/73/33/13/458733313.db2.gz GWVUNGBAMDDLQS-UHFFFAOYSA-N 2 0 340.556 3.011 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000503989583 458735778 /nfs/dbraw/zinc/73/57/78/458735778.db2.gz VVAQXQILEFAISP-ROUUACIJSA-N 2 0 340.556 3.010 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(C(F)(F)F)s1 ZINC000432724552 458774840 /nfs/dbraw/zinc/77/48/40/458774840.db2.gz ZRABZAYRWRXLNY-BNOWGMLFSA-N 2 0 348.434 3.450 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC000547733335 458781710 /nfs/dbraw/zinc/78/17/10/458781710.db2.gz OIDYIYKTOJTVTF-IBGZPJMESA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)([NH+](C)C)C1 ZINC000440114709 458782637 /nfs/dbraw/zinc/78/26/37/458782637.db2.gz YYLNYLYZCVBXIY-YVWKXTFCSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@@H+]1CC[C@]2(C[C@H]1c1ccccc1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000514823992 458801153 /nfs/dbraw/zinc/80/11/53/458801153.db2.gz ITNOIBLPFXIHDU-PXNSSMCTSA-N 2 0 346.438 3.106 20 0 EGADRP CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000518323714 458857375 /nfs/dbraw/zinc/85/73/75/458857375.db2.gz QZRNJRBCDSFVST-IBGZPJMESA-N 2 0 344.503 3.089 20 0 EGADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000474474569 458888353 /nfs/dbraw/zinc/88/83/53/458888353.db2.gz GOXUFEAQIMPWQS-RTBURBONSA-N 2 0 330.520 3.138 20 0 EGADRP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000474730488 458899544 /nfs/dbraw/zinc/89/95/44/458899544.db2.gz YWRITLDDXFUDFH-ICSRJNTNSA-N 2 0 345.531 3.282 20 0 EGADRP Cc1cccc(C)c1OCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441271437 458908640 /nfs/dbraw/zinc/90/86/40/458908640.db2.gz XYYAOJIVRPMKLX-XUVXKRRUSA-N 2 0 346.515 3.256 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716308 458928393 /nfs/dbraw/zinc/92/83/93/458928393.db2.gz KKFYUVGVQYRLPH-QFBILLFUSA-N 2 0 339.524 3.098 20 0 EGADRP Cc1cnccc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556155029 458932517 /nfs/dbraw/zinc/93/25/17/458932517.db2.gz PNNGGRNJROLKLL-UHFFFAOYSA-N 2 0 338.499 3.082 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000531683398 458958645 /nfs/dbraw/zinc/95/86/45/458958645.db2.gz JKCYNFAFJNZALF-JXFKEZNVSA-N 2 0 328.456 3.426 20 0 EGADRP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000495885853 458992950 /nfs/dbraw/zinc/99/29/50/458992950.db2.gz NXCKKVOBMHOZBQ-PMPSAXMXSA-N 2 0 331.460 3.024 20 0 EGADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1cccc2ccccc21 ZINC000442757553 459031080 /nfs/dbraw/zinc/03/10/80/459031080.db2.gz MJRNPOJKLBAXEP-LUKYLMHMSA-N 2 0 339.483 3.075 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)CCCC[NH3+])C1CCCCC1 ZINC000577510128 459044259 /nfs/dbraw/zinc/04/42/59/459044259.db2.gz QPJPROMMNISYGX-UHFFFAOYSA-N 2 0 331.504 3.196 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881581 459051233 /nfs/dbraw/zinc/05/12/33/459051233.db2.gz ZRFHUQIDIFYCSO-LJQANCHMSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)c1ccc([C@H](NC(=O)CN2CC[C@@H]([NH3+])C[C@H]2C)C(C)C)cc1 ZINC000567176076 459059433 /nfs/dbraw/zinc/05/94/33/459059433.db2.gz AZLOOYVWSFEQTL-OZOXKJRCSA-N 2 0 345.531 3.435 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442418 459089188 /nfs/dbraw/zinc/08/91/88/459089188.db2.gz JCWPTAXBSURXTG-CVEARBPZSA-N 2 0 329.488 3.486 20 0 EGADRP CCOc1cc2c(cc1CN[C@@H]1CC[N@H+](CC)C[C@H]1C)O[C@H](C)C2 ZINC000532454884 459091860 /nfs/dbraw/zinc/09/18/60/459091860.db2.gz SSWCVMJMJXIBKR-IIDMSEBBSA-N 2 0 332.488 3.229 20 0 EGADRP C[C@](O)(C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C(F)(F)F ZINC000567377839 459095952 /nfs/dbraw/zinc/09/59/52/459095952.db2.gz DZPYQNDITLHEIV-KRWDZBQOSA-N 2 0 344.421 3.466 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[NH+]2CCCCC2)cc1 ZINC000567642372 459138323 /nfs/dbraw/zinc/13/83/23/459138323.db2.gz QLGWTBMZCJLGQF-NJYVYQBISA-N 2 0 345.531 3.472 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479577695 459149695 /nfs/dbraw/zinc/14/96/95/459149695.db2.gz XBVYAXCRSMQIKQ-KRWDZBQOSA-N 2 0 342.531 3.148 20 0 EGADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000567786528 459167920 /nfs/dbraw/zinc/16/79/20/459167920.db2.gz AZYDQXDDXYIBSX-MOPGFXCFSA-N 2 0 335.536 3.009 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000567801905 459170971 /nfs/dbraw/zinc/17/09/71/459170971.db2.gz ADRYNYBWXHZPSB-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000558716060 459203146 /nfs/dbraw/zinc/20/31/46/459203146.db2.gz KJSVONMHYUYSTC-INIZCTEOSA-N 2 0 339.439 3.336 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH2+]1 ZINC000578500442 459211629 /nfs/dbraw/zinc/21/16/29/459211629.db2.gz JLBRSYDDMSYBDU-VQIMIIECSA-N 2 0 347.466 3.164 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480767780 459217364 /nfs/dbraw/zinc/21/73/64/459217364.db2.gz FJSUZDIGIXXQEI-AYOQOUSVSA-N 2 0 335.923 3.407 20 0 EGADRP CC(C)[NH2+]C1CC[NH+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496501952 459217855 /nfs/dbraw/zinc/21/78/55/459217855.db2.gz SIHNZDAXNFMLIE-MRXNPFEDSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000590786158 459218392 /nfs/dbraw/zinc/21/83/92/459218392.db2.gz DKROZXPGNVTLSZ-TVRKMHQQSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000568215481 459251117 /nfs/dbraw/zinc/25/11/17/459251117.db2.gz WTXPUBVBRGOWQE-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000590880862 459257182 /nfs/dbraw/zinc/25/71/82/459257182.db2.gz XRRBRCBEVCRYEN-UHFFFAOYSA-N 3 0 333.520 3.026 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC[C@H]3CCc4ccccc43)C2)CC1 ZINC000595340223 459280610 /nfs/dbraw/zinc/28/06/10/459280610.db2.gz RINZADPLCRGYKF-RTWAWAEBSA-N 2 0 341.543 3.207 20 0 EGADRP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC[C@@H](C[NH3+])C1 ZINC000582181812 459322327 /nfs/dbraw/zinc/32/23/27/459322327.db2.gz SIFXZAIOKXBMLW-OCCSQVGLSA-N 2 0 334.851 3.046 20 0 EGADRP C[NH+](C)CCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000560521308 459364526 /nfs/dbraw/zinc/36/45/26/459364526.db2.gz BNYSKHLXRZFFJU-NJDAHSKKSA-N 2 0 329.532 3.219 20 0 EGADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497070745 459425510 /nfs/dbraw/zinc/42/55/10/459425510.db2.gz HWXGIFVINQYKRX-DLBZAZTESA-N 2 0 337.508 3.064 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000497150581 459460894 /nfs/dbraw/zinc/46/08/94/459460894.db2.gz ROMUOSMWBIUVAO-UHFFFAOYSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000583019424 459467461 /nfs/dbraw/zinc/46/74/61/459467461.db2.gz BPHDDNNWCSMABY-FQEVSTJZSA-N 2 0 342.483 3.056 20 0 EGADRP C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078372 459479038 /nfs/dbraw/zinc/47/90/38/459479038.db2.gz YPQMCMGWXOKKKI-HKUYNNGSSA-N 2 0 338.499 3.447 20 0 EGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497203334 459484241 /nfs/dbraw/zinc/48/42/41/459484241.db2.gz RDDQOXGJCGZNSP-HZPDHXFCSA-N 2 0 339.524 3.096 20 0 EGADRP O=C(CC[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1cccc(Cl)c1 ZINC000583435589 459538885 /nfs/dbraw/zinc/53/88/85/459538885.db2.gz OWVIOJKHWXOMHJ-UHFFFAOYSA-N 2 0 335.879 3.133 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000583579247 459562112 /nfs/dbraw/zinc/56/21/12/459562112.db2.gz FBQLKZUNPYKDEH-INIZCTEOSA-N 2 0 329.488 3.488 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000542504298 459563499 /nfs/dbraw/zinc/56/34/99/459563499.db2.gz JSAFYODOBQETSI-IAGOWNOFSA-N 2 0 345.531 3.495 20 0 EGADRP C[C@H](Nc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1)C1CCCC1 ZINC000526983351 459569965 /nfs/dbraw/zinc/56/99/65/459569965.db2.gz WVNNBCYQUPKMPB-HNNXBMFYSA-N 2 0 342.487 3.428 20 0 EGADRP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000583929794 459620321 /nfs/dbraw/zinc/62/03/21/459620321.db2.gz DDIAKRCNQMHNKO-PMACEKPBSA-N 2 0 348.531 3.001 20 0 EGADRP COc1ccc(-c2nc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000562837649 459657769 /nfs/dbraw/zinc/65/77/69/459657769.db2.gz ULNQRYADGPVNAL-LPHOPBHVSA-N 2 0 341.455 3.314 20 0 EGADRP COc1ccc(-c2nc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000562837651 459657873 /nfs/dbraw/zinc/65/78/73/459657873.db2.gz ULNQRYADGPVNAL-VQIMIIECSA-N 2 0 341.455 3.314 20 0 EGADRP [NH3+][C@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000573355362 459663669 /nfs/dbraw/zinc/66/36/69/459663669.db2.gz WCRVLPBFWGYZOP-JHOJWFKBSA-N 2 0 339.458 3.253 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccncc2Cl)cc1 ZINC000527651930 459686115 /nfs/dbraw/zinc/68/61/15/459686115.db2.gz DPGHGJROZBVCDX-UHFFFAOYSA-N 2 0 333.863 3.355 20 0 EGADRP CC(C)[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)cc1 ZINC000573594651 459703200 /nfs/dbraw/zinc/70/32/00/459703200.db2.gz FDRMEPXHYNUBBJ-KRWDZBQOSA-N 2 0 347.894 3.412 20 0 EGADRP C/C(=C/c1ccccc1)C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501877006 459751190 /nfs/dbraw/zinc/75/11/90/459751190.db2.gz WGOWMONLOMEHIP-JZJYNLBNSA-N 2 0 329.532 3.438 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000584497372 459754237 /nfs/dbraw/zinc/75/42/37/459754237.db2.gz VAXORURKOSAFHV-HUUCEWRRSA-N 2 0 337.895 3.377 20 0 EGADRP CC(C)c1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000527860840 459760978 /nfs/dbraw/zinc/76/09/78/459760978.db2.gz YOUNVDWARHQPGI-LPHOPBHVSA-N 2 0 331.504 3.048 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000573958378 459762390 /nfs/dbraw/zinc/76/23/90/459762390.db2.gz GSHYJAMXEBZWFZ-LSDHHAIUSA-N 2 0 337.533 3.025 20 0 EGADRP CCc1ccc(CC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000544487853 459763559 /nfs/dbraw/zinc/76/35/59/459763559.db2.gz UJHBLZHBNHHDLP-UHFFFAOYSA-N 2 0 343.559 3.141 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Oc1ccc(Br)cc1 ZINC000584540108 459765782 /nfs/dbraw/zinc/76/57/82/459765782.db2.gz NVNYOFXVMVZDIM-MRVWCRGKSA-N 2 0 327.266 3.076 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000574031630 459771126 /nfs/dbraw/zinc/77/11/26/459771126.db2.gz GCENVEXGZROEOE-YWQMSVTJSA-N 2 0 325.431 3.416 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000574053179 459773670 /nfs/dbraw/zinc/77/36/70/459773670.db2.gz IMDKBQCEIWJNKS-HOJAQTOUSA-N 2 0 337.467 3.096 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)[C@@H]3CCC[C@@H]32)cc1 ZINC000527978739 459786612 /nfs/dbraw/zinc/78/66/12/459786612.db2.gz GITLLTGFOBLZMP-ZLIDZYOXSA-N 2 0 326.484 3.198 20 0 EGADRP C[C@@H]1C[C@H]([N@H+](C)CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000574168823 459788233 /nfs/dbraw/zinc/78/82/33/459788233.db2.gz JQSPARONYCKYIM-UYAOXDASSA-N 3 0 340.515 3.338 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000566005187 459791660 /nfs/dbraw/zinc/79/16/60/459791660.db2.gz WLWXPYMJGAQRFM-ICSRJNTNSA-N 2 0 348.531 3.145 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000584782879 459801242 /nfs/dbraw/zinc/80/12/42/459801242.db2.gz VBSZHOSRZKGJLW-FDFHNCONSA-N 2 0 335.495 3.146 20 0 EGADRP CN1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000566116981 459808435 /nfs/dbraw/zinc/80/84/35/459808435.db2.gz RKJYTYMFLUQIRP-YRGRVCCFSA-N 2 0 336.423 3.034 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCC[NH+](C)C)C1 ZINC000584830616 459810332 /nfs/dbraw/zinc/81/03/32/459810332.db2.gz LSBZHFGLUVCYNN-GOSISDBHSA-N 2 0 345.531 3.267 20 0 EGADRP Cc1nc2ccccc2n1CCC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000574512297 459828184 /nfs/dbraw/zinc/82/81/84/459828184.db2.gz OXCZARGPZQRVPF-IERDGZPVSA-N 2 0 337.467 3.489 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000575052601 459917286 /nfs/dbraw/zinc/91/72/86/459917286.db2.gz CPGFOBREMNPNTR-PBHICJAKSA-N 2 0 344.421 3.464 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621645976 459996275 /nfs/dbraw/zinc/99/62/75/459996275.db2.gz OUIBGBRBJPQDBU-QZTJIDSGSA-N 2 0 343.515 3.108 20 0 EGADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250412 460098411 /nfs/dbraw/zinc/09/84/11/460098411.db2.gz GHABANNRJAGQNU-HXUWFJFHSA-N 2 0 345.531 3.074 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCCC[NH2+]3)cc2)CC1 ZINC000576640009 460183576 /nfs/dbraw/zinc/18/35/76/460183576.db2.gz NIFDNUFCIZVJRT-LJQANCHMSA-N 2 0 329.488 3.389 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cc(C)c(OC)cc3C)C2)CC1 ZINC000614962718 460253696 /nfs/dbraw/zinc/25/36/96/460253696.db2.gz FAYMOHYZCGJLTF-RBUKOAKNSA-N 2 0 345.531 3.085 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000603320051 460284131 /nfs/dbraw/zinc/28/41/31/460284131.db2.gz OCEGIAVSCGKXOF-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000626062653 460358138 /nfs/dbraw/zinc/35/81/38/460358138.db2.gz AFKXVIBRPIWOTJ-OAQYLSRUSA-N 2 0 326.484 3.174 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000604390572 460417205 /nfs/dbraw/zinc/41/72/05/460417205.db2.gz YSQUPFCLMULYPB-GOSISDBHSA-N 2 0 347.506 3.468 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3ncccc32)cc1 ZINC000631570757 460450179 /nfs/dbraw/zinc/45/01/79/460450179.db2.gz YEKBCNAJWGWNQI-HXUWFJFHSA-N 2 0 325.456 3.189 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000634680550 460472998 /nfs/dbraw/zinc/47/29/98/460472998.db2.gz VWMSJISTRCFLMY-DOTOQJQBSA-N 2 0 349.494 3.186 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664497 460497824 /nfs/dbraw/zinc/49/78/24/460497824.db2.gz NZDGXNAXYWQTNC-NLWGTHIKSA-N 2 0 326.488 3.019 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631664504 460497949 /nfs/dbraw/zinc/49/79/49/460497949.db2.gz OETCYVXOTVPYPF-HQRMLTQVSA-N 2 0 326.488 3.229 20 0 EGADRP c1c(C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629417006 460752733 /nfs/dbraw/zinc/75/27/33/460752733.db2.gz LRHWMQMMBBUQOP-CEXWTWQISA-N 2 0 331.508 3.041 20 0 EGADRP CCCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000620757003 460764982 /nfs/dbraw/zinc/76/49/82/460764982.db2.gz QPYRFDSEIHPVGI-ROUUACIJSA-N 2 0 334.504 3.454 20 0 EGADRP CC[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+](CC)CC ZINC000607051139 460783628 /nfs/dbraw/zinc/78/36/28/460783628.db2.gz MQRZPMAZDDIXKX-FUHWJXTLSA-N 2 0 333.520 3.352 20 0 EGADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cc2c1 ZINC000629539929 460801028 /nfs/dbraw/zinc/80/10/28/460801028.db2.gz SOHVUXAHRCYUCQ-CUWPLCDZSA-N 2 0 339.483 3.262 20 0 EGADRP Brc1ccc(S[C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000629546353 460802873 /nfs/dbraw/zinc/80/28/73/460802873.db2.gz CJUNNNLHAYHTSC-WFASDCNBSA-N 2 0 341.318 3.225 20 0 EGADRP COc1cccc(CCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629561885 460808761 /nfs/dbraw/zinc/80/87/61/460808761.db2.gz LDKWCYYYAMWCMM-GDBMZVCRSA-N 2 0 330.394 3.087 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121899 460869754 /nfs/dbraw/zinc/86/97/54/460869754.db2.gz FUYJFGMVLPPGCO-UYAOXDASSA-N 2 0 341.503 3.039 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121561 460870304 /nfs/dbraw/zinc/87/03/04/460870304.db2.gz YBLGAUAHTXZHSH-QZTJIDSGSA-N 3 0 333.520 3.010 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CC3 ZINC000624121835 460871029 /nfs/dbraw/zinc/87/10/29/460871029.db2.gz DPIPUGPHHNRIHP-CVEARBPZSA-N 2 0 341.499 3.355 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC000629949315 460970464 /nfs/dbraw/zinc/97/04/64/460970464.db2.gz PRARSLMEAYVPHE-KRWDZBQOSA-N 2 0 343.515 3.162 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000608061648 460974411 /nfs/dbraw/zinc/97/44/11/460974411.db2.gz WWZCQBSAIUHYDB-PBHICJAKSA-N 2 0 338.455 3.406 20 0 EGADRP Cc1ccc([C@@H](C)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000628238469 461058405 /nfs/dbraw/zinc/05/84/05/461058405.db2.gz ZXUZLSADVSBQOD-FQEVSTJZSA-N 2 0 343.559 3.448 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3coc(-c4cccs4)n3)C2)C1 ZINC000652348825 461141945 /nfs/dbraw/zinc/14/19/45/461141945.db2.gz SKJJLNNFPOYEAB-LZWOXQAQSA-N 2 0 347.484 3.121 20 0 EGADRP COc1ccc(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)nc1 ZINC000662285828 461164857 /nfs/dbraw/zinc/16/48/57/461164857.db2.gz NMTNTONLRJESFC-UHFFFAOYSA-N 2 0 337.467 3.116 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291516 461169472 /nfs/dbraw/zinc/16/94/72/461169472.db2.gz VUORVNFITUZIAE-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292628 461169881 /nfs/dbraw/zinc/16/98/81/461169881.db2.gz GGLXAHKIZZWZMC-HNNXBMFYSA-N 2 0 344.434 3.087 20 0 EGADRP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662312376 461183869 /nfs/dbraw/zinc/18/38/69/461183869.db2.gz BEUUYYKBUDSHKG-YFVAEKQCSA-N 2 0 345.531 3.339 20 0 EGADRP C[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662312738 461184906 /nfs/dbraw/zinc/18/49/06/461184906.db2.gz CSDDJESIKKJCPT-ZIFCJYIRSA-N 2 0 343.515 3.194 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000662347928 461203496 /nfs/dbraw/zinc/20/34/96/461203496.db2.gz MHLIVOKUAQKNJF-HOTGVXAUSA-N 2 0 337.533 3.012 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCc3cncc(C)n3)C2)s1 ZINC000649603226 461211873 /nfs/dbraw/zinc/21/18/73/461211873.db2.gz BEALSPQYEIGLRA-QGZVFWFLSA-N 2 0 344.528 3.151 20 0 EGADRP CCCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000668277624 461222904 /nfs/dbraw/zinc/22/29/04/461222904.db2.gz LVYQFRSJDSFMPV-UHFFFAOYSA-N 2 0 332.488 3.080 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)CC1 ZINC000636683351 461250112 /nfs/dbraw/zinc/25/01/12/461250112.db2.gz GIBFFMRHVLFMMM-IBGZPJMESA-N 2 0 341.499 3.118 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444382 461255127 /nfs/dbraw/zinc/25/51/27/461255127.db2.gz DVMDVHDVYYUDIU-ICSRJNTNSA-N 2 0 327.472 3.001 20 0 EGADRP O=c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000638156516 461277650 /nfs/dbraw/zinc/27/76/50/461277650.db2.gz YYBKXVWELKTXPN-UHFFFAOYSA-N 2 0 337.467 3.275 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662526731 461281746 /nfs/dbraw/zinc/28/17/46/461281746.db2.gz KDTPRJPYBXWYQK-WBQJQJEBSA-N 2 0 341.499 3.085 20 0 EGADRP CC(C[NH+]1CCC[C@H](OC(C)C)C1)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000649702738 461289294 /nfs/dbraw/zinc/28/92/94/461289294.db2.gz LYQRIAXVYDANNW-PMACEKPBSA-N 2 0 340.552 3.401 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(C)(C)Oc1ccccc1 ZINC000638180997 461294105 /nfs/dbraw/zinc/29/41/05/461294105.db2.gz LOFMUYGHRKPQKR-BHIYHBOVSA-N 2 0 332.488 3.028 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)[NH3+] ZINC000662657061 461338497 /nfs/dbraw/zinc/33/84/97/461338497.db2.gz WVYWAHQKDFWYSO-UHFFFAOYSA-N 2 0 339.911 3.138 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)sn1 ZINC000638335336 461374154 /nfs/dbraw/zinc/37/41/54/461374154.db2.gz MKBFPEYPKCZQED-IYBDPMFKSA-N 2 0 345.512 3.351 20 0 EGADRP CC[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000646735657 461392933 /nfs/dbraw/zinc/39/29/33/461392933.db2.gz RVLHRPSQHUYWMF-FQEVSTJZSA-N 2 0 337.467 3.181 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638381023 461397743 /nfs/dbraw/zinc/39/77/43/461397743.db2.gz HRGJJZISEGGIOE-APWZRJJASA-N 2 0 331.504 3.065 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000638387282 461401890 /nfs/dbraw/zinc/40/18/90/461401890.db2.gz VZLGEIOHSQUOFR-MSOLQXFVSA-N 2 0 333.545 3.072 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668740174 461410034 /nfs/dbraw/zinc/41/00/34/461410034.db2.gz QUDQKFSAOKBVKB-NJYVYQBISA-N 2 0 328.500 3.028 20 0 EGADRP Nc1c(F)cccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000638418903 461419563 /nfs/dbraw/zinc/41/95/63/461419563.db2.gz MEIXAKRZBQQRBD-UHFFFAOYSA-N 2 0 327.447 3.410 20 0 EGADRP CC(C)c1[nH+]c(CN2CCO[C@@H](CCC[NH+](C)C)C2)c2ccccn21 ZINC000668785210 461433775 /nfs/dbraw/zinc/43/37/75/461433775.db2.gz NZQNNWOULCKTFX-KRWDZBQOSA-N 2 0 344.503 3.000 20 0 EGADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000668820342 461450955 /nfs/dbraw/zinc/45/09/55/461450955.db2.gz UHVDQUJVLITELS-APWZRJJASA-N 2 0 346.515 3.434 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000638553863 461481527 /nfs/dbraw/zinc/48/15/27/461481527.db2.gz UGRGFOKUSXHJFH-FPOVZHCZSA-N 2 0 347.547 3.016 20 0 EGADRP CC[C@@](C)(C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)OC ZINC000638566869 461488681 /nfs/dbraw/zinc/48/86/81/461488681.db2.gz GDUMQVBXOUWANT-BEFAXECRSA-N 2 0 337.483 3.043 20 0 EGADRP CO[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCOC1 ZINC000638567807 461488858 /nfs/dbraw/zinc/48/88/58/461488858.db2.gz RXWFVZXWOZVZSB-SFTDATJTSA-N 2 0 346.515 3.060 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631040168 461491978 /nfs/dbraw/zinc/49/19/78/461491978.db2.gz HEKUOEAPMLZPIS-UHFFFAOYSA-N 2 0 329.463 3.096 20 0 EGADRP CC(C)CNC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000659927709 461501021 /nfs/dbraw/zinc/50/10/21/461501021.db2.gz HVINRUDSDAOIRG-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653114689 461507966 /nfs/dbraw/zinc/50/79/66/461507966.db2.gz SRMDVDPTQKDRTF-GOSISDBHSA-N 2 0 343.515 3.069 20 0 EGADRP COc1cccc(SCCN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000659974737 461524733 /nfs/dbraw/zinc/52/47/33/461524733.db2.gz PUBXCLQDMLMORY-QGZVFWFLSA-N 2 0 334.529 3.451 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1CC1 ZINC000638672664 461528296 /nfs/dbraw/zinc/52/82/96/461528296.db2.gz XKELFSHXWMEBEZ-FQEVSTJZSA-N 2 0 328.456 3.426 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000659990934 461535354 /nfs/dbraw/zinc/53/53/54/461535354.db2.gz RVPFUYOTVRYXPU-SFHLNBCPSA-N 2 0 329.532 3.171 20 0 EGADRP CC[N@H+](CCCNC(=O)c1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000653200363 461555682 /nfs/dbraw/zinc/55/56/82/461555682.db2.gz BPGHLZNGZHPLGD-UHFFFAOYSA-N 2 0 329.488 3.064 20 0 EGADRP CC[C@H](CSc1ccccc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638787662 461577504 /nfs/dbraw/zinc/57/75/04/461577504.db2.gz JEMBTDIXLNCQII-MRXNPFEDSA-N 2 0 336.545 3.382 20 0 EGADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253207 461591043 /nfs/dbraw/zinc/59/10/43/461591043.db2.gz LGTNOFWOOVFRJF-QGZVFWFLSA-N 2 0 335.517 3.186 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000653253295 461591439 /nfs/dbraw/zinc/59/14/39/461591439.db2.gz OBHQOPBRVFXNTH-QAPCUYQASA-N 2 0 347.528 3.201 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253600 461593384 /nfs/dbraw/zinc/59/33/84/461593384.db2.gz YRPNFXYAEWIVBG-QZTJIDSGSA-N 2 0 347.528 3.201 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000643057127 461598573 /nfs/dbraw/zinc/59/85/73/461598573.db2.gz AGZZOPKCNDVAOU-PXNSSMCTSA-N 2 0 326.440 3.280 20 0 EGADRP COc1cccc(C)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000638836277 461608142 /nfs/dbraw/zinc/60/81/42/461608142.db2.gz DWLVCHPCAJIFOG-UHFFFAOYSA-N 2 0 325.456 3.405 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000647288589 461615727 /nfs/dbraw/zinc/61/57/27/461615727.db2.gz HSCJQXFSURDDHB-YLJYHZDGSA-N 2 0 333.520 3.008 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000656193824 461641097 /nfs/dbraw/zinc/64/10/97/461641097.db2.gz UXQIQMANISOJJL-MBNYWOFBSA-N 2 0 325.250 3.132 20 0 EGADRP COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000656201256 461645833 /nfs/dbraw/zinc/64/58/33/461645833.db2.gz MHYJHKQDJDLHTF-CXAGYDPISA-N 2 0 327.428 3.032 20 0 EGADRP Cc1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(C[NH+](C)C)c1 ZINC000656255752 461679162 /nfs/dbraw/zinc/67/91/62/461679162.db2.gz OOEDBHQCCPSSJZ-LJQANCHMSA-N 2 0 331.504 3.112 20 0 EGADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CC[C@@H](C[NH3+])c4ccccc43)cc21 ZINC000639063851 461702267 /nfs/dbraw/zinc/70/22/67/461702267.db2.gz IQQMAHMHPCKUPR-ROUUACIJSA-N 2 0 349.478 3.158 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CO)CC2CCCCC2)cc1 ZINC000669576948 461728511 /nfs/dbraw/zinc/72/85/11/461728511.db2.gz AHXZJIMNIUTSCY-IBGZPJMESA-N 2 0 334.504 3.048 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1[NH3+] ZINC000647498147 461736544 /nfs/dbraw/zinc/73/65/44/461736544.db2.gz BLKVMBAXKOCQKI-AZUAARDMSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469323 461739439 /nfs/dbraw/zinc/73/94/39/461739439.db2.gz KBPDVNLLLFDUSC-XJKSGUPXSA-N 2 0 325.294 3.359 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC000643536108 461756098 /nfs/dbraw/zinc/75/60/98/461756098.db2.gz RAGTVLGAAZJOJI-LSDHHAIUSA-N 2 0 328.378 3.125 20 0 EGADRP Clc1ccccc1C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCO1 ZINC000643535962 461756791 /nfs/dbraw/zinc/75/67/91/461756791.db2.gz LODDGQCHACEIPY-BZSNNMDCSA-N 2 0 334.891 3.162 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536597 461757004 /nfs/dbraw/zinc/75/70/04/461757004.db2.gz VIMIIDFTSSQOTF-UONOGXRCSA-N 2 0 339.252 3.307 20 0 EGADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000647543478 461757687 /nfs/dbraw/zinc/75/76/87/461757687.db2.gz OFGNCXHOFRRQFX-IAGOWNOFSA-N 2 0 330.472 3.060 20 0 EGADRP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cnc21 ZINC000647543955 461759317 /nfs/dbraw/zinc/75/93/17/461759317.db2.gz UUPSJPGMSDHZOP-ROUUACIJSA-N 2 0 341.503 3.224 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543813 461759405 /nfs/dbraw/zinc/75/94/05/461759405.db2.gz SJUGMXZJWAVHKP-MSOLQXFVSA-N 2 0 332.488 3.306 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647543725 461760125 /nfs/dbraw/zinc/76/01/25/461760125.db2.gz RMJCZYIJVSNBSN-CVEARBPZSA-N 2 0 328.460 3.190 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000647551223 461764039 /nfs/dbraw/zinc/76/40/39/461764039.db2.gz AXIBPUIYLYDERZ-VHRBIJSZSA-N 2 0 327.241 3.066 20 0 EGADRP Fc1cccc(COc2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000666787416 461803079 /nfs/dbraw/zinc/80/30/79/461803079.db2.gz ZJMYPAUFIOZMGG-QGZVFWFLSA-N 2 0 328.431 3.494 20 0 EGADRP CC1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000647786253 461834710 /nfs/dbraw/zinc/83/47/10/461834710.db2.gz LQOAHXSXKQVJFQ-GXRSIYKFSA-N 2 0 341.543 3.437 20 0 EGADRP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788103 461835553 /nfs/dbraw/zinc/83/55/53/461835553.db2.gz CJCQWQFNQJLJNT-JTNHKYCSSA-N 2 0 330.806 3.419 20 0 EGADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)cc1 ZINC000647788562 461836101 /nfs/dbraw/zinc/83/61/01/461836101.db2.gz MCVVMDJGVORTGF-MHTWAQMVSA-N 2 0 327.516 3.110 20 0 EGADRP Clc1ccc(COCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647794315 461837935 /nfs/dbraw/zinc/83/79/35/461837935.db2.gz XVGIMPQNXSQHMC-DUVNUKRYSA-N 2 0 343.298 3.488 20 0 EGADRP c1coc(COCc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000647793039 461838010 /nfs/dbraw/zinc/83/80/10/461838010.db2.gz ISLOPVKBGYXPPC-XUVXKRRUSA-N 2 0 340.467 3.474 20 0 EGADRP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647792901 461838120 /nfs/dbraw/zinc/83/81/20/461838120.db2.gz DPRWISDFZKHSDJ-GDAAHCPNSA-N 2 0 331.504 3.373 20 0 EGADRP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798811 461841539 /nfs/dbraw/zinc/84/15/39/461841539.db2.gz XTATWCCMXPTTHU-QLFBSQMISA-N 2 0 330.863 3.003 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@H+](C)CCCC2CC[NH2+]CC2)c(C)c1 ZINC000647878474 461867614 /nfs/dbraw/zinc/86/76/14/461867614.db2.gz KGOVQEFAOWXHLX-UHFFFAOYSA-N 2 0 331.504 3.262 20 0 EGADRP C[C@H](c1cccs1)[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000647879542 461868490 /nfs/dbraw/zinc/86/84/90/461868490.db2.gz KUWVQNQPOYEFBY-QGZVFWFLSA-N 2 0 329.513 3.217 20 0 EGADRP COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1OC ZINC000647883484 461870871 /nfs/dbraw/zinc/87/08/71/461870871.db2.gz VYLCLQZYFKHIQQ-ZWKOTPCHSA-N 2 0 332.488 3.100 20 0 EGADRP CC(C)(C)[C@@]1(C[NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639353402 461878463 /nfs/dbraw/zinc/87/84/63/461878463.db2.gz RTOOFXXFZZHQLB-SVFBPWRDSA-N 2 0 330.516 3.285 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952379 461885109 /nfs/dbraw/zinc/88/51/09/461885109.db2.gz UQSQCJUIQAPUTI-AWEZNQCLSA-N 2 0 341.318 3.403 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666954089 461886224 /nfs/dbraw/zinc/88/62/24/461886224.db2.gz PJRAWIYQBCDBMD-XJKSGUPXSA-N 2 0 335.879 3.097 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000656784005 461894757 /nfs/dbraw/zinc/89/47/57/461894757.db2.gz XJUPVOXCGWEXNI-KRWDZBQOSA-N 2 0 342.487 3.200 20 0 EGADRP c1nc([C@H]2CCCO2)sc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784046 461894824 /nfs/dbraw/zinc/89/48/24/461894824.db2.gz YAKISYGJQYTKSL-DOTOQJQBSA-N 2 0 335.517 3.206 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000650707059 461899851 /nfs/dbraw/zinc/89/98/51/461899851.db2.gz XSGRQDISWSHKAB-IDHHARJASA-N 2 0 343.446 3.092 20 0 EGADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)ccc2n1 ZINC000650707310 461901592 /nfs/dbraw/zinc/90/15/92/461901592.db2.gz CRLCOIWORFIVNU-ZJOUEHCJSA-N 2 0 339.483 3.262 20 0 EGADRP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)ccc2O1 ZINC000650707436 461901995 /nfs/dbraw/zinc/90/19/95/461901995.db2.gz GDZUQVWZXIXHRH-QRFRQXIXSA-N 2 0 344.499 3.118 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)c1 ZINC000650717790 461910126 /nfs/dbraw/zinc/91/01/26/461910126.db2.gz MJLRXWFCGNNIRK-OAHLLOKOSA-N 2 0 343.446 3.408 20 0 EGADRP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723824 461915983 /nfs/dbraw/zinc/91/59/83/461915983.db2.gz UOHVXIKXLTZZEH-UAGQMJEPSA-N 2 0 337.533 3.202 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000650723997 461916864 /nfs/dbraw/zinc/91/68/64/461916864.db2.gz WQQLAFZXJMIKSS-UXPWSPDFSA-N 2 0 325.456 3.096 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976104 461917213 /nfs/dbraw/zinc/91/72/13/461917213.db2.gz KCJOLKOQJIZARY-OKZBNKHCSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647974929 461917520 /nfs/dbraw/zinc/91/75/20/461917520.db2.gz CCDLQQPKBXGLPU-RTBURBONSA-N 2 0 343.515 3.262 20 0 EGADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977681 461918693 /nfs/dbraw/zinc/91/86/93/461918693.db2.gz GBCNULLZDLEVFS-DLBZAZTESA-N 2 0 339.483 3.371 20 0 EGADRP Brc1cccc2c1C[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650762160 461940400 /nfs/dbraw/zinc/94/04/00/461940400.db2.gz VJMYTKGFQWVPGR-HNNXBMFYSA-N 2 0 337.305 3.286 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000650763287 461941771 /nfs/dbraw/zinc/94/17/71/461941771.db2.gz WYDXEDQJAHXAFY-FDFHNCONSA-N 2 0 341.543 3.266 20 0 EGADRP Fc1ccc([C@H]([NH2+]CCC2CC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000650763191 461942222 /nfs/dbraw/zinc/94/22/22/461942222.db2.gz UEBQGFSHGNTEBI-LJQANCHMSA-N 2 0 331.410 3.429 20 0 EGADRP O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000644550448 461980978 /nfs/dbraw/zinc/98/09/78/461980978.db2.gz QUGKNPRAWRJTHV-GDBMZVCRSA-N 2 0 334.426 3.219 20 0 EGADRP CCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000667196044 461991788 /nfs/dbraw/zinc/99/17/88/461991788.db2.gz NSKMFNVVFAAJFU-PKOBYXMFSA-N 2 0 344.503 3.184 20 0 EGADRP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579081 461999978 /nfs/dbraw/zinc/99/99/78/461999978.db2.gz GRXKOOJLMBBCAM-BQFCYCMXSA-N 2 0 330.472 3.069 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657293936 462023929 /nfs/dbraw/zinc/02/39/29/462023929.db2.gz XMYPLNAMQGYKPD-YLJYHZDGSA-N 2 0 332.488 3.208 20 0 EGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657295325 462024573 /nfs/dbraw/zinc/02/45/73/462024573.db2.gz APBUBSSPSNABQZ-UHFFFAOYSA-N 2 0 329.513 3.142 20 0 EGADRP COCc1csc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000657315014 462039306 /nfs/dbraw/zinc/03/93/06/462039306.db2.gz FYNUWOWYYKDPOW-UHFFFAOYSA-N 2 0 334.485 3.125 20 0 EGADRP COCCOCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639726909 462077565 /nfs/dbraw/zinc/07/75/65/462077565.db2.gz QPPMFONSYDQCJJ-UHFFFAOYSA-N 2 0 346.515 3.028 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc3ccncc3s2)CC1 ZINC000657417408 462108921 /nfs/dbraw/zinc/10/89/21/462108921.db2.gz XXWMPHMTFQJNHQ-UHFFFAOYSA-N 2 0 339.468 3.055 20 0 EGADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000667493999 462110468 /nfs/dbraw/zinc/11/04/68/462110468.db2.gz KFSQXFFYEIMMIF-FXAWDEMLSA-N 2 0 348.535 3.175 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[NH+]1CCCCC1 ZINC000657433684 462120641 /nfs/dbraw/zinc/12/06/41/462120641.db2.gz ZCFPZUBTAXVWHU-XLIONFOSSA-N 2 0 332.488 3.208 20 0 EGADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000648448286 462123548 /nfs/dbraw/zinc/12/35/48/462123548.db2.gz ZNUFXEOVRXNGHL-CGTJXYLNSA-N 2 0 349.494 3.186 20 0 EGADRP CCc1nc2cc(C[NH2+]Cc3cnc4n3CCC4)ccc2n1C1CC1 ZINC000657463892 462139159 /nfs/dbraw/zinc/13/91/59/462139159.db2.gz NFUIAERRFWOVCI-UHFFFAOYSA-N 2 0 335.455 3.366 20 0 EGADRP Cc1ccc(C(=O)NC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000639962351 462193940 /nfs/dbraw/zinc/19/39/40/462193940.db2.gz ROBORSBTVJALGM-HXUWFJFHSA-N 2 0 343.515 3.064 20 0 EGADRP COc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611656 462202438 /nfs/dbraw/zinc/20/24/38/462202438.db2.gz BIVJOVCJUYZJTQ-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP Cc1ccc2ncc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)n2c1 ZINC000657613193 462204600 /nfs/dbraw/zinc/20/46/00/462204600.db2.gz HUUTZZSBNBPABF-UHFFFAOYSA-N 2 0 349.482 3.040 20 0 EGADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000667687669 462214747 /nfs/dbraw/zinc/21/47/47/462214747.db2.gz UCHFIFFSFZLIJU-INIZCTEOSA-N 2 0 335.455 3.152 20 0 EGADRP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)nc1 ZINC000657678510 462227283 /nfs/dbraw/zinc/22/72/83/462227283.db2.gz RWUIMFDBIXEJPC-HXUWFJFHSA-N 2 0 342.531 3.043 20 0 EGADRP CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000648768424 462269073 /nfs/dbraw/zinc/26/90/73/462269073.db2.gz CSOQIMZBTAKWBH-NVXWUHKLSA-N 2 0 337.552 3.265 20 0 EGADRP Cc1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1-c1ccccc1 ZINC000657813536 462279913 /nfs/dbraw/zinc/27/99/13/462279913.db2.gz QQYHUKYAYCVNLP-UHFFFAOYSA-N 2 0 338.499 3.392 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCC1 ZINC000657826958 462286891 /nfs/dbraw/zinc/28/68/91/462286891.db2.gz JVINNZLJLDWGAP-KSZLIROESA-N 2 0 346.515 3.343 20 0 EGADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657833559 462288152 /nfs/dbraw/zinc/28/81/52/462288152.db2.gz AUKXJCLRWRUYBT-IBGZPJMESA-N 2 0 343.559 3.114 20 0 EGADRP COC[C@@H](CC(C)(C)C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000651663192 462294392 /nfs/dbraw/zinc/29/43/92/462294392.db2.gz BRELUTZRHHDMGH-WOJBJXKFSA-N 2 0 347.547 3.016 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccncc2s1 ZINC000657879439 462305964 /nfs/dbraw/zinc/30/59/64/462305964.db2.gz OIYAUPIIKLRGPR-GDBMZVCRSA-N 2 0 344.528 3.115 20 0 EGADRP CC(C)Cc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000657885279 462307557 /nfs/dbraw/zinc/30/75/57/462307557.db2.gz DBSQGXVDWKHTPH-ROUUACIJSA-N 2 0 332.532 3.423 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OCC)CC2)[C@H](C)C1 ZINC000657884202 462307820 /nfs/dbraw/zinc/30/78/20/462307820.db2.gz MXNRTSRRKAFAEJ-LWSMDNFKSA-N 2 0 326.525 3.061 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657891481 462309356 /nfs/dbraw/zinc/30/93/56/462309356.db2.gz ZUOKJPPRHZFVII-SJLPKXTDSA-N 2 0 336.907 3.413 20 0 EGADRP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2COC[C@@H]21 ZINC000648871703 462312071 /nfs/dbraw/zinc/31/20/71/462312071.db2.gz IYWPKFDWISLSIK-VQTJNVASSA-N 2 0 344.499 3.018 20 0 EGADRP c1c2cnccc2oc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000651790631 462335386 /nfs/dbraw/zinc/33/53/86/462335386.db2.gz FIQPASOQAOKBLG-KDURUIRLSA-N 2 0 333.435 3.392 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665259142 462374349 /nfs/dbraw/zinc/37/43/49/462374349.db2.gz WIUZWFQPONZWJL-HUYLIWGRSA-N 2 0 333.495 3.172 20 0 EGADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000665263030 462376076 /nfs/dbraw/zinc/37/60/76/462376076.db2.gz DWDLRYAMTCRDKJ-JRSUCEMESA-N 2 0 328.500 3.460 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090369 462378662 /nfs/dbraw/zinc/37/86/62/462378662.db2.gz GROCXUZSJKLXJH-SJLPKXTDSA-N 2 0 333.520 3.150 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000649044130 462387343 /nfs/dbraw/zinc/38/73/43/462387343.db2.gz SWGZSYNXORAKKA-MRXNPFEDSA-N 2 0 347.528 3.155 20 0 EGADRP CO[C@](C)(C[NH2+]C1CC[NH+](C(C)C)CC1)COCc1ccccc1 ZINC000658131305 462396462 /nfs/dbraw/zinc/39/64/62/462396462.db2.gz BRCJPJMJUZXGAB-HXUWFJFHSA-N 2 0 334.504 3.071 20 0 EGADRP C[C@H](CCc1ccco1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166799 462414458 /nfs/dbraw/zinc/41/44/58/462414458.db2.gz PBDQZMZYGQZBMZ-QGZVFWFLSA-N 2 0 327.472 3.498 20 0 EGADRP COC1([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000658166499 462414707 /nfs/dbraw/zinc/41/47/07/462414707.db2.gz VKGCGSUTAGWLHT-KRWDZBQOSA-N 2 0 331.504 3.231 20 0 EGADRP CCc1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000649225038 462445243 /nfs/dbraw/zinc/44/52/43/462445243.db2.gz WKTPYFNVLVFJTP-QGZVFWFLSA-N 2 0 325.456 3.098 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652138524 462445638 /nfs/dbraw/zinc/44/56/38/462445638.db2.gz HNYYMHDABGFJAG-PBHICJAKSA-N 2 0 348.487 3.237 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000178409132 533849163 /nfs/dbraw/zinc/84/91/63/533849163.db2.gz KQXGGIUMNMRGEL-INIZCTEOSA-N 2 0 331.460 3.170 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000178173636 533933201 /nfs/dbraw/zinc/93/32/01/533933201.db2.gz RQTBOZNFIKJUAF-INIZCTEOSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1nc(-c2ccccc2)no1 ZINC000582354372 518182261 /nfs/dbraw/zinc/18/22/61/518182261.db2.gz ARPFOJBODVWUCM-LAVFITLUSA-N 2 0 340.471 3.350 20 0 EGADRP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OCc1ccccc1 ZINC000181492027 534411900 /nfs/dbraw/zinc/41/19/00/534411900.db2.gz WYFKJIIJQIJNJH-QUCCMNQESA-N 2 0 342.483 3.069 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000177927025 534447294 /nfs/dbraw/zinc/44/72/94/534447294.db2.gz QTRZTWUCDZZJPY-WWGRRREGSA-N 2 0 341.293 3.146 20 0 EGADRP [NH3+]CC1(CC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000184241799 534587215 /nfs/dbraw/zinc/58/72/15/534587215.db2.gz IWWPEFVFOUCBBQ-UHFFFAOYSA-N 2 0 335.536 3.199 20 0 EGADRP Brc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000166311951 526639587 /nfs/dbraw/zinc/63/95/87/526639587.db2.gz QFZGMDBEHYULIN-VXGBXAGGSA-N 2 0 329.307 3.270 20 0 EGADRP CC1(C)C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C(C)(C)O1 ZINC000132789471 527743615 /nfs/dbraw/zinc/74/36/15/527743615.db2.gz VOKPVXNTHGNCIR-IBGZPJMESA-N 2 0 346.515 3.079 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000177936604 528206067 /nfs/dbraw/zinc/20/60/67/528206067.db2.gz JFXIUMYKNIHCBM-FQEVSTJZSA-N 2 0 330.472 3.373 20 0 EGADRP CC(C)C[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccn1 ZINC000132412007 528359708 /nfs/dbraw/zinc/35/97/08/528359708.db2.gz MGCZITPIJAQGIN-UXHICEINSA-N 2 0 332.536 3.030 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000164496064 528463015 /nfs/dbraw/zinc/46/30/15/528463015.db2.gz VARBKYFMIPOXJT-INIZCTEOSA-N 2 0 327.476 3.182 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H]1CCSc2ccccc21)N1CC[NH+](C)CC1 ZINC000132306696 528466383 /nfs/dbraw/zinc/46/63/83/528466383.db2.gz NRXJRKUMAKERTI-ZWKOTPCHSA-N 2 0 333.545 3.085 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1)C(C)C ZINC000183384400 528775277 /nfs/dbraw/zinc/77/52/77/528775277.db2.gz REODRORUJADLBR-UHFFFAOYSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000132409190 529015831 /nfs/dbraw/zinc/01/58/31/529015831.db2.gz MRDCYJPHUXLXPC-QUCCMNQESA-N 2 0 331.548 3.214 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000132542891 529016133 /nfs/dbraw/zinc/01/61/33/529016133.db2.gz XKPOEVJDOCHMBE-MOPGFXCFSA-N 2 0 335.923 3.189 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000154523275 529143362 /nfs/dbraw/zinc/14/33/62/529143362.db2.gz ZRNHZUPERXKFKH-MRXNPFEDSA-N 2 0 346.544 3.365 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000154454115 529143575 /nfs/dbraw/zinc/14/35/75/529143575.db2.gz PRMWGPPGLUXEMJ-UTKZUKDTSA-N 2 0 347.522 3.456 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000187159889 529147328 /nfs/dbraw/zinc/14/73/28/529147328.db2.gz UCPMGILRVXKPIS-FPOVZHCZSA-N 2 0 331.548 3.117 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1(C(=O)OC)CCC1 ZINC000353343012 535919518 /nfs/dbraw/zinc/91/95/18/535919518.db2.gz GBCLGXHQSJWOQJ-IBGZPJMESA-N 2 0 344.499 3.494 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CCOC1 ZINC000358028537 535921136 /nfs/dbraw/zinc/92/11/36/535921136.db2.gz XZWUCMRXFZJXOC-USNOLKROSA-N 2 0 346.515 3.201 20 0 EGADRP CCc1cnc(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)s1 ZINC000346196883 536033193 /nfs/dbraw/zinc/03/31/93/536033193.db2.gz DCIFMGBIFAAIAG-UHFFFAOYSA-N 2 0 339.549 3.276 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[C@H]1C ZINC000354635467 536319171 /nfs/dbraw/zinc/31/91/71/536319171.db2.gz RDRIPLHCTFAFBD-KMOPNRPKSA-N 2 0 336.520 3.207 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000351419838 536357124 /nfs/dbraw/zinc/35/71/24/536357124.db2.gz RGCSKBCCCNOPIU-ICSRJNTNSA-N 2 0 343.515 3.003 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000090936634 546661702 /nfs/dbraw/zinc/66/17/02/546661702.db2.gz UXEZLBKBMJFINF-HZPDHXFCSA-N 2 0 334.504 3.202 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)no1 ZINC000090911656 546661839 /nfs/dbraw/zinc/66/18/39/546661839.db2.gz DUMABQVMRVMGIM-GJZGRUSLSA-N 2 0 328.460 3.160 20 0 EGADRP COc1ccccc1[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000090913541 546662029 /nfs/dbraw/zinc/66/20/29/546662029.db2.gz BXRKXRZENIIZCT-IIBYNOLFSA-N 2 0 339.483 3.500 20 0 EGADRP CCO[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000155429513 546902167 /nfs/dbraw/zinc/90/21/67/546902167.db2.gz KXHOTBMBGYQOPN-HXUWFJFHSA-N 2 0 332.488 3.162 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000157484696 546919697 /nfs/dbraw/zinc/91/96/97/546919697.db2.gz QPYCEMLKYNSDRL-KGLIPLIRSA-N 2 0 336.476 3.093 20 0 EGADRP CCC[NH+]1CCC(N[C@H](c2nc(-c3ccncc3)no2)C(C)C)CC1 ZINC000162696613 546967067 /nfs/dbraw/zinc/96/70/67/546967067.db2.gz WZAWCYTYIWLWGN-KRWDZBQOSA-N 2 0 343.475 3.293 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000165074414 546983849 /nfs/dbraw/zinc/98/38/49/546983849.db2.gz IGMLQVFKJIJBDU-YOEHRIQHSA-N 2 0 349.906 3.155 20 0 EGADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000180046403 547051827 /nfs/dbraw/zinc/05/18/27/547051827.db2.gz YHUMAKWSZNNRIH-XHSDSOJGSA-N 2 0 342.487 3.178 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)n1 ZINC000246417143 547279543 /nfs/dbraw/zinc/27/95/43/547279543.db2.gz MWWOVCCNYBIKAQ-ROUUACIJSA-N 2 0 340.471 3.058 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000339236675 547571344 /nfs/dbraw/zinc/57/13/44/547571344.db2.gz HAOQWGYWMNCNLI-ZWKOTPCHSA-N 2 0 347.503 3.187 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339226316 547571846 /nfs/dbraw/zinc/57/18/46/547571846.db2.gz LLCDXIBFHDITSS-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348112200 547627795 /nfs/dbraw/zinc/62/77/95/547627795.db2.gz WFURPTOTNGGDPN-LEWJYISDSA-N 2 0 327.516 3.102 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000386491423 547823784 /nfs/dbraw/zinc/82/37/84/547823784.db2.gz JVQBLFQHEJMLIW-IBGZPJMESA-N 2 0 345.531 3.121 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742149 548971590 /nfs/dbraw/zinc/97/15/90/548971590.db2.gz KTTFJXVKNKRLEW-AWEZNQCLSA-N 2 0 339.911 3.025 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000675818698 548988190 /nfs/dbraw/zinc/98/81/90/548988190.db2.gz HOAWFAHXALIMPC-MRXNPFEDSA-N 2 0 329.488 3.196 20 0 EGADRP CC[N@H+](CCCC1CC[NH+]([C@@H]2CCCOC2)CC1)[C@H]1CCCOC1 ZINC000677992660 549371617 /nfs/dbraw/zinc/37/16/17/549371617.db2.gz NYQFWPWZAQDZSR-VQTJNVASSA-N 2 0 338.536 3.159 20 0 EGADRP C[NH+](C)CCOc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000678133656 549405346 /nfs/dbraw/zinc/40/53/46/549405346.db2.gz HJDQNSCTWFFXGD-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP CN(CC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000678257107 549447446 /nfs/dbraw/zinc/44/74/46/549447446.db2.gz OVZBHJGRXYMTRT-UHFFFAOYSA-N 2 0 341.499 3.195 20 0 EGADRP CCc1nn(C)cc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000678361215 549476213 /nfs/dbraw/zinc/47/62/13/549476213.db2.gz SPXKSBLYUGXCTI-PKOBYXMFSA-N 2 0 340.515 3.373 20 0 EGADRP C[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000678595837 549527599 /nfs/dbraw/zinc/52/75/99/549527599.db2.gz KDDCHDASHZJGAU-KRWDZBQOSA-N 2 0 334.504 3.220 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000678774512 549558408 /nfs/dbraw/zinc/55/84/08/549558408.db2.gz KEWXHCHPNFNRCK-KRWDZBQOSA-N 2 0 330.520 3.071 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679099993 549634808 /nfs/dbraw/zinc/63/48/08/549634808.db2.gz YDDZIPZNQHKCMT-AEFFLSMTSA-N 2 0 333.545 3.438 20 0 EGADRP C[C@@H]([NH2+]Cc1cnc2ccccn12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679288028 549679965 /nfs/dbraw/zinc/67/99/65/549679965.db2.gz BOVMEVYUPHQKCF-MJGOQNOKSA-N 2 0 334.467 3.335 20 0 EGADRP COC[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000680352257 549854164 /nfs/dbraw/zinc/85/41/64/549854164.db2.gz MUCLSAGUBLXUOX-BQJUDKOJSA-N 2 0 328.500 3.302 20 0 EGADRP Cc1noc(C)c1[C@@H](C)[NH2+]C/C=C\C[NH2+][C@@H](C)c1c(C)noc1C ZINC000680380125 549859379 /nfs/dbraw/zinc/85/93/79/549859379.db2.gz CQQCKVUUPCQBFK-OVFHYVDXSA-N 2 0 332.448 3.454 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000681256720 549973806 /nfs/dbraw/zinc/97/38/06/549973806.db2.gz NTYVKFFXIDPVHT-HKUYNNGSSA-N 2 0 345.531 3.497 20 0 EGADRP Fc1ccc(COC2CC[NH+]([C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000682075067 550069410 /nfs/dbraw/zinc/06/94/10/550069410.db2.gz GBARTHNVTCAEDC-OALUTQOASA-N 2 0 332.463 3.434 20 0 EGADRP CC[C@H](C)c1nnc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000683078774 550187599 /nfs/dbraw/zinc/18/75/99/550187599.db2.gz IJWDCLZRMIPRTG-LSDHHAIUSA-N 2 0 345.491 3.109 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)CC1 ZINC000683927442 550274275 /nfs/dbraw/zinc/27/42/75/550274275.db2.gz QHFKEWRLQKXEMK-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929677 550274677 /nfs/dbraw/zinc/27/46/77/550274677.db2.gz VVYAKELRRAPYRX-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685463803 550420792 /nfs/dbraw/zinc/42/07/92/550420792.db2.gz BJPNWHPRGCEZMH-NRFANRHFSA-N 2 0 346.515 3.288 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cscc3C(F)(F)F)C2)CC1 ZINC000685616007 550432556 /nfs/dbraw/zinc/43/25/56/550432556.db2.gz VEYKUMIQZCNOPX-CYBMUJFWSA-N 2 0 347.450 3.025 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000052210110 1291699141 /nfs/dbraw/zinc/69/91/41/1291699141.db2.gz VOJCGZHEAOJGJX-IBGZPJMESA-N 2 0 340.458 3.442 20 0 EGADRP Cc1cc(C)cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000065932561 1292097620 /nfs/dbraw/zinc/09/76/20/1292097620.db2.gz OXLFMHSFMOOUQQ-UHFFFAOYSA-N 2 0 337.511 3.341 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccccc2OC(F)F)C[C@@H](C)O1 ZINC000067452948 1292160958 /nfs/dbraw/zinc/16/09/58/1292160958.db2.gz FNJIFUNBEUMSBK-HUUCEWRRSA-N 2 0 342.430 3.267 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000069160343 1292233300 /nfs/dbraw/zinc/23/33/00/1292233300.db2.gz PGTMKGYWONTDSC-FQEVSTJZSA-N 2 0 339.483 3.482 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000077328315 1292459567 /nfs/dbraw/zinc/45/95/67/1292459567.db2.gz YKSIEVGLRYNRFI-CYBMUJFWSA-N 2 0 330.303 3.109 20 0 EGADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000078047889 1292493821 /nfs/dbraw/zinc/49/38/21/1292493821.db2.gz IEXKMQSEQMMWGA-MRXNPFEDSA-N 2 0 339.524 3.048 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccncc3)CC2)c1 ZINC000078879632 1292531029 /nfs/dbraw/zinc/53/10/29/1292531029.db2.gz BHBRUNNFFCCJQT-UHFFFAOYSA-N 2 0 338.499 3.082 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)ccc1Br ZINC000090188712 1292789824 /nfs/dbraw/zinc/78/98/24/1292789824.db2.gz HADTZOBHRZIFNU-CQSZACIVSA-N 2 0 347.272 3.035 20 0 EGADRP C[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000831088972 1292806695 /nfs/dbraw/zinc/80/66/95/1292806695.db2.gz QQMWERXNZXKQBY-ACAXCVFMSA-N 2 0 343.515 3.236 20 0 EGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc(C[NH3+])c1 ZINC000831300305 1292837450 /nfs/dbraw/zinc/83/74/50/1292837450.db2.gz ZVWVTUGQTXZAIM-UHFFFAOYSA-N 2 0 345.512 3.191 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834547358 1293115686 /nfs/dbraw/zinc/11/56/86/1293115686.db2.gz AUUXLLZBRPPZLG-ARFHVFGLSA-N 2 0 327.513 3.094 20 0 EGADRP CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)OCCO1 ZINC000834764948 1293143984 /nfs/dbraw/zinc/14/39/84/1293143984.db2.gz JKBUJSKOXLGIGB-AQNXPRMDSA-N 2 0 344.499 3.172 20 0 EGADRP CC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC[NH2+]C1 ZINC000119578826 1293278369 /nfs/dbraw/zinc/27/83/69/1293278369.db2.gz SUQPTNBUJLDKFN-QFBILLFUSA-N 2 0 349.544 3.027 20 0 EGADRP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000120997997 1293351085 /nfs/dbraw/zinc/35/10/85/1293351085.db2.gz ULLXYIVOVFVXLS-HOTGVXAUSA-N 2 0 326.488 3.486 20 0 EGADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1F ZINC000121895147 1293395106 /nfs/dbraw/zinc/39/51/06/1293395106.db2.gz RVFDRJMFAZRYHS-HXUWFJFHSA-N 2 0 334.479 3.447 20 0 EGADRP Cc1ccc(-c2ccc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)o2)cc1 ZINC000128771996 1293604566 /nfs/dbraw/zinc/60/45/66/1293604566.db2.gz MWDUQUJYAWJPLX-UHFFFAOYSA-N 2 0 341.499 3.371 20 0 EGADRP C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000130977683 1293674689 /nfs/dbraw/zinc/67/46/89/1293674689.db2.gz CUKVHDQBYOLYLA-MRXNPFEDSA-N 2 0 341.503 3.348 20 0 EGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(C)cn2)cc1 ZINC000134016470 1293759952 /nfs/dbraw/zinc/75/99/52/1293759952.db2.gz HGTQCRGMZJQMET-UHFFFAOYSA-N 2 0 327.472 3.400 20 0 EGADRP Cc1cc(C[C@@H](C)[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[nH]n1 ZINC000136769596 1293821727 /nfs/dbraw/zinc/82/17/27/1293821727.db2.gz JAVGXSKPRDGMDK-MRXNPFEDSA-N 2 0 328.504 3.397 20 0 EGADRP CCCC[N@H+](C)CC1CCN(Cn2ccc(C(F)(F)F)n2)CC1 ZINC000151804685 1293939449 /nfs/dbraw/zinc/93/94/49/1293939449.db2.gz XLTURUWWBCTHGC-UHFFFAOYSA-N 2 0 332.414 3.303 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000153904430 1294033045 /nfs/dbraw/zinc/03/30/45/1294033045.db2.gz NJGKEQFMAQYSLV-NJYVYQBISA-N 2 0 344.499 3.208 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)nc1 ZINC000181401036 1294965679 /nfs/dbraw/zinc/96/56/79/1294965679.db2.gz DAZMZEUSIFWSKV-KFWWJZLASA-N 2 0 325.884 3.275 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCN2CCCC2)cc1C[NH+]1CCCCC1 ZINC000182226086 1295028129 /nfs/dbraw/zinc/02/81/29/1295028129.db2.gz VOORDVSBAXUJQP-GOSISDBHSA-N 2 0 345.531 3.428 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000187752423 1295413278 /nfs/dbraw/zinc/41/32/78/1295413278.db2.gz KPYNGZOZEFCHLG-WBVHZDCISA-N 2 0 339.524 3.238 20 0 EGADRP C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190334027 1295584539 /nfs/dbraw/zinc/58/45/39/1295584539.db2.gz RNSZQWQOYKQFAJ-WMZOPIPTSA-N 2 0 336.520 3.162 20 0 EGADRP CC(C)[NH+]1CCC(CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000870955200 1296153349 /nfs/dbraw/zinc/15/33/49/1296153349.db2.gz QLFFFJCKXXHNPA-FQEVSTJZSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000237636202 1296254153 /nfs/dbraw/zinc/25/41/53/1296254153.db2.gz JJOLABQCIVMUKW-GJZGRUSLSA-N 2 0 345.512 3.351 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(C(F)(F)F)co3)C2)C1 ZINC000872145654 1296767832 /nfs/dbraw/zinc/76/78/32/1296767832.db2.gz VWIOQYDXWWGASW-LNSITVRQSA-N 2 0 332.366 3.017 20 0 EGADRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000305344547 1297010459 /nfs/dbraw/zinc/01/04/59/1297010459.db2.gz XPHHNACDZGXEKH-IAGOWNOFSA-N 2 0 341.540 3.484 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(O)CCC2)cc1C[NH+]1CCCCC1 ZINC000305781522 1297050238 /nfs/dbraw/zinc/05/02/38/1297050238.db2.gz URQOLSQLLODXKF-INIZCTEOSA-N 2 0 332.488 3.247 20 0 EGADRP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401851 1297069780 /nfs/dbraw/zinc/06/97/80/1297069780.db2.gz XIMKFXSBURFKHB-SLFFLAALSA-N 2 0 328.500 3.446 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000310016431 1297083373 /nfs/dbraw/zinc/08/33/73/1297083373.db2.gz RTZXSUKIEZRUQW-YVSFHVDLSA-N 2 0 337.508 3.039 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095177 1297089549 /nfs/dbraw/zinc/08/95/49/1297089549.db2.gz UOUNZMUEQKCEKE-GHTZIAJQSA-N 3 0 329.532 3.219 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000320921640 1297174160 /nfs/dbraw/zinc/17/41/60/1297174160.db2.gz QOJDCAHNWOXVBK-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340471166 1297312864 /nfs/dbraw/zinc/31/28/64/1297312864.db2.gz CETWIQPAEAYWQF-XWSJACJDSA-N 2 0 333.524 3.110 20 0 EGADRP Fc1cccc([C@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873204662 1297350992 /nfs/dbraw/zinc/35/09/92/1297350992.db2.gz HWQNSQWITBUULG-QGZVFWFLSA-N 2 0 332.444 3.106 20 0 EGADRP c1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)sc2c1C[NH2+]CC2 ZINC000873207159 1297351495 /nfs/dbraw/zinc/35/14/95/1297351495.db2.gz JOLWUABKUORRSV-UHFFFAOYSA-N 3 0 347.572 3.482 20 0 EGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873250095 1297390464 /nfs/dbraw/zinc/39/04/64/1297390464.db2.gz DMAJRVTXBYLYKF-MOXGXCLJSA-N 2 0 328.431 3.445 20 0 EGADRP COCCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000873254177 1297390678 /nfs/dbraw/zinc/39/06/78/1297390678.db2.gz MRLXYNRDRQERJP-MAZHCROVSA-N 2 0 341.293 3.244 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(F)F ZINC000873260318 1297394337 /nfs/dbraw/zinc/39/43/37/1297394337.db2.gz YJPGVYGXJIFZBF-RJZRQDKASA-N 2 0 340.414 3.478 20 0 EGADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290068 1297412713 /nfs/dbraw/zinc/41/27/13/1297412713.db2.gz AQGWZROMUHBTKP-IEBWSBKVSA-N 2 0 330.516 3.491 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2ccccc2n1 ZINC000873289976 1297413013 /nfs/dbraw/zinc/41/30/13/1297413013.db2.gz AFBLWJNWFUXPRS-DOTOQJQBSA-N 2 0 325.456 3.044 20 0 EGADRP Brc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000378959215 1297530780 /nfs/dbraw/zinc/53/07/80/1297530780.db2.gz VWTMVVLQGGJDCF-UHFFFAOYSA-N 2 0 336.233 3.196 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000381829158 1297555491 /nfs/dbraw/zinc/55/54/91/1297555491.db2.gz XFQUNUDVJACVHL-BFYDXBDKSA-N 2 0 339.524 3.094 20 0 EGADRP CCCN1CC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548710 1297609842 /nfs/dbraw/zinc/60/98/42/1297609842.db2.gz NMGDOFHUBBXSED-DLBZAZTESA-N 2 0 337.305 3.380 20 0 EGADRP C[NH+]1CCC(C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000401343122 1297742699 /nfs/dbraw/zinc/74/26/99/1297742699.db2.gz WEZJKNFOHQIRJI-UHFFFAOYSA-N 2 0 347.503 3.143 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404281126 1297749013 /nfs/dbraw/zinc/74/90/13/1297749013.db2.gz PPIXHHNKDMDNQS-FPPGBKCQSA-N 2 0 343.515 3.014 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C)[C@@H](C)[NH3+] ZINC000404373745 1297750781 /nfs/dbraw/zinc/75/07/81/1297750781.db2.gz SKNPELMXKVGMEJ-JAYZULETSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700805379 1298180520 /nfs/dbraw/zinc/18/05/20/1298180520.db2.gz SHZVTBPWZOIEQO-SJORKVTESA-N 2 0 341.540 3.105 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000704046823 1298204558 /nfs/dbraw/zinc/20/45/58/1298204558.db2.gz WBDMXHYVGQIMEL-FFGOWVMKSA-N 2 0 343.515 3.063 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000708588442 1298244298 /nfs/dbraw/zinc/24/42/98/1298244298.db2.gz UMDGXZZFRQJCPT-XLIONFOSSA-N 2 0 334.467 3.192 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000709322861 1298247571 /nfs/dbraw/zinc/24/75/71/1298247571.db2.gz AORHCXDOOSYFSB-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000715201496 1298279045 /nfs/dbraw/zinc/27/90/45/1298279045.db2.gz LLZSWTSRZYPMEE-MWDXBVQZSA-N 2 0 339.524 3.142 20 0 EGADRP CSC(C)(C)CC[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876874973 1299046234 /nfs/dbraw/zinc/04/62/34/1299046234.db2.gz OHIQWIKCNSASOH-UHFFFAOYSA-N 2 0 336.545 3.265 20 0 EGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCCCC[NH+](C)C)C[C@@H]1C ZINC000748961881 1299117789 /nfs/dbraw/zinc/11/77/89/1299117789.db2.gz XOXSYLNZLIMRAK-ZWKOTPCHSA-N 2 0 340.556 3.013 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000877068256 1299142674 /nfs/dbraw/zinc/14/26/74/1299142674.db2.gz SQQKWJKGCULUMT-UHFFFAOYSA-N 2 0 349.906 3.189 20 0 EGADRP [NH3+][C@@H](C[C@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CCCC1 ZINC000877450190 1299310243 /nfs/dbraw/zinc/31/02/43/1299310243.db2.gz ZFUCVMHDYINOMF-DSLRARGZSA-N 2 0 347.547 3.053 20 0 EGADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1)C1CCCC1 ZINC000877451366 1299311929 /nfs/dbraw/zinc/31/19/29/1299311929.db2.gz KGHVEMXPTBGXGU-FOIQADDNSA-N 2 0 341.499 3.050 20 0 EGADRP C[C@@H](CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000753769227 1300017275 /nfs/dbraw/zinc/01/72/75/1300017275.db2.gz KDTIZJSTURVZCY-IRXDYDNUSA-N 2 0 339.524 3.240 20 0 EGADRP FC[C@@H]1CC[N@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](CF)C3)c2)C1 ZINC000880300163 1301038349 /nfs/dbraw/zinc/03/83/49/1301038349.db2.gz OVAWPMJTIUPVLQ-JKSUJKDBSA-N 2 0 326.406 3.409 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000880517557 1301145848 /nfs/dbraw/zinc/14/58/48/1301145848.db2.gz SFNURVZZNWBGCW-SFHVURJKSA-N 2 0 326.431 3.196 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2ccn(C)n2)ccc1OC ZINC000760896328 1301360715 /nfs/dbraw/zinc/36/07/15/1301360715.db2.gz KCBXQTPRGBGJAT-MRXNPFEDSA-N 2 0 344.503 3.164 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000765357487 1302252452 /nfs/dbraw/zinc/25/24/52/1302252452.db2.gz DIHJMLDMVZSLIG-ZACQAIPSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000765405092 1302260657 /nfs/dbraw/zinc/26/06/57/1302260657.db2.gz GIUUEWMOXHIIEP-QLFBSQMISA-N 2 0 325.884 3.275 20 0 EGADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CCCC1 ZINC000766334050 1302432235 /nfs/dbraw/zinc/43/22/35/1302432235.db2.gz VUKXTUVKWSQHPO-JKSUJKDBSA-N 2 0 339.524 3.144 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000766538321 1302472744 /nfs/dbraw/zinc/47/27/44/1302472744.db2.gz ZONUZLDOPRNHSW-LPHOPBHVSA-N 2 0 344.503 3.188 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000766538329 1302473232 /nfs/dbraw/zinc/47/32/32/1302473232.db2.gz ZONUZLDOPRNHSW-VQIMIIECSA-N 2 0 344.503 3.188 20 0 EGADRP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000884387594 1302836471 /nfs/dbraw/zinc/83/64/71/1302836471.db2.gz YCEPASJGBDWCBZ-QGZVFWFLSA-N 2 0 347.528 3.059 20 0 EGADRP CN(Cc1ccccc1)C(=O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886507415 1303480346 /nfs/dbraw/zinc/48/03/46/1303480346.db2.gz JXWZURMHCXAWJN-UHFFFAOYSA-N 2 0 343.515 3.032 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@]2(O)CCc3ccccc32)CC1 ZINC000886555056 1303498957 /nfs/dbraw/zinc/49/89/57/1303498957.db2.gz JUCWMYVRURCXCO-DQVLVPHSSA-N 2 0 328.500 3.207 20 0 EGADRP Cn1nccc1[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886621039 1303527532 /nfs/dbraw/zinc/52/75/32/1303527532.db2.gz ZGSFFSPOIJCKAD-VXLIZBOYSA-N 2 0 346.519 3.027 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2COC3(CCCC3)O2)CC1 ZINC000774474220 1303814297 /nfs/dbraw/zinc/81/42/97/1303814297.db2.gz FBMHUFOJWKYFCW-NZSAHSFTSA-N 2 0 336.520 3.305 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2)cc1C[NH+]1CCCCC1 ZINC000775379327 1303950337 /nfs/dbraw/zinc/95/03/37/1303950337.db2.gz QMIARAOFLKOSOX-IAGOWNOFSA-N 2 0 332.488 3.368 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CC2)cc1C[NH+]1CCCCC1 ZINC000775414731 1303960564 /nfs/dbraw/zinc/96/05/64/1303960564.db2.gz ITDWVOYAJISDNF-OXJNMPFZSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc2ccccc2[nH]1 ZINC000775622280 1303997136 /nfs/dbraw/zinc/99/71/36/1303997136.db2.gz SVPCLRRDCLSLGI-INIZCTEOSA-N 2 0 349.482 3.166 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)cc1C[NH+]1CCCCC1 ZINC000776899927 1304218422 /nfs/dbraw/zinc/21/84/22/1304218422.db2.gz FELNXPAXKRGRQB-HOTGVXAUSA-N 2 0 334.504 3.491 20 0 EGADRP CO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(F)(F)F ZINC000777007097 1304231834 /nfs/dbraw/zinc/23/18/34/1304231834.db2.gz KXXLIGQWYHXPMS-NUEKZKHPSA-N 2 0 330.394 3.206 20 0 EGADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000781920967 1304891339 /nfs/dbraw/zinc/89/13/39/1304891339.db2.gz CGJNBPPDKNFINK-IFMALSPDSA-N 2 0 336.479 3.339 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891670634 1305130165 /nfs/dbraw/zinc/13/01/65/1305130165.db2.gz ILUCXZGZAZSOBX-NVXWUHKLSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]C2CCS(=O)CC2)C1 ZINC000892600945 1305462521 /nfs/dbraw/zinc/46/25/21/1305462521.db2.gz PRAMSJXFPUSUST-LYNMMZOZSA-N 2 0 348.556 3.165 20 0 EGADRP C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(O)c(F)c3)c2)CCO1 ZINC000892677206 1305501410 /nfs/dbraw/zinc/50/14/10/1305501410.db2.gz WIGZBUZXVQSRMO-HNNXBMFYSA-N 2 0 344.430 3.042 20 0 EGADRP CC(=O)OC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000892905190 1305598951 /nfs/dbraw/zinc/59/89/51/1305598951.db2.gz JGHPXEVIQMYWTG-AWEZNQCLSA-N 2 0 338.879 3.093 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(O)cc(Cl)c2)C[C@@H](C)O1 ZINC000893037776 1305675043 /nfs/dbraw/zinc/67/50/43/1305675043.db2.gz JHMUUFHPGQHJFR-ZIAGYGMSSA-N 2 0 326.868 3.025 20 0 EGADRP O=c1oc2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2o1 ZINC000893940470 1306137827 /nfs/dbraw/zinc/13/78/27/1306137827.db2.gz NJRDATKDAZRRBL-UHFFFAOYSA-N 2 0 344.455 3.474 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000894108684 1306223125 /nfs/dbraw/zinc/22/31/25/1306223125.db2.gz ULZSJMGVRGFPBU-UHFFFAOYSA-N 2 0 337.895 3.168 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790749106 1308857884 /nfs/dbraw/zinc/85/78/84/1308857884.db2.gz CLAHTMZVVSWRGV-JKSUJKDBSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000790751791 1308859573 /nfs/dbraw/zinc/85/95/73/1308859573.db2.gz XQHZTLXJDZFKKB-INIZCTEOSA-N 2 0 345.487 3.416 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796696867 1310065519 /nfs/dbraw/zinc/06/55/19/1310065519.db2.gz WCCGBJYRYJQYGG-CQSZACIVSA-N 2 0 328.884 3.276 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)nc1 ZINC000817968778 1319480628 /nfs/dbraw/zinc/48/06/28/1319480628.db2.gz MJQQKSFUEZQGNA-NSHDSACASA-N 2 0 332.245 3.298 20 0 EGADRP Cc1cc(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)c(C)n1C1CC1 ZINC000799178342 1310500580 /nfs/dbraw/zinc/50/05/80/1310500580.db2.gz UJKKCRZAQXCCHO-UHFFFAOYSA-N 2 0 343.515 3.430 20 0 EGADRP C(=C/C[N@@H+]1CC[C@@H](c2ccccn2)C1)\C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799192908 1310506090 /nfs/dbraw/zinc/50/60/90/1310506090.db2.gz FBUHRQSRJYNRKS-VGIQHARFSA-N 2 0 348.494 3.312 20 0 EGADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cnn(CC2CCC2)c1 ZINC000898181190 1310617193 /nfs/dbraw/zinc/61/71/93/1310617193.db2.gz BXLLPEAGUJFSJA-MRXNPFEDSA-N 2 0 339.487 3.398 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000898611802 1310803079 /nfs/dbraw/zinc/80/30/79/1310803079.db2.gz SYVPASXSUYJLOP-BOMAWHNGSA-N 2 0 336.520 3.351 20 0 EGADRP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000898611803 1310803777 /nfs/dbraw/zinc/80/37/77/1310803777.db2.gz SYVPASXSUYJLOP-JIZBTBOESA-N 2 0 336.520 3.351 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023761461 1319905364 /nfs/dbraw/zinc/90/53/64/1319905364.db2.gz AHWOSDGCESYRHN-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)C1CCC(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857291105 1328526849 /nfs/dbraw/zinc/52/68/49/1328526849.db2.gz TUZJJSPPDKCSHF-HDYDNRTBSA-N 2 0 343.515 3.098 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801869443 1316959529 /nfs/dbraw/zinc/95/95/29/1316959529.db2.gz CDESQANTPXEKHQ-LJQANCHMSA-N 2 0 330.472 3.314 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018931812 1316979187 /nfs/dbraw/zinc/97/91/87/1316979187.db2.gz MEXLGMJCFPBGHG-KRWDZBQOSA-N 2 0 349.544 3.194 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001019259604 1317132464 /nfs/dbraw/zinc/13/24/64/1317132464.db2.gz SKIMRMYMEIKXPE-BJLQDIEVSA-N 2 0 343.515 3.039 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000957325512 1317286369 /nfs/dbraw/zinc/28/63/69/1317286369.db2.gz OHAOZKLDJBHXHK-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1C[NH+](CC2CCCC2)C1 ZINC000957422359 1317348224 /nfs/dbraw/zinc/34/82/24/1317348224.db2.gz WCLRZBOUHREYED-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1C[NH+](CC2CCCCCC2)C1 ZINC000957424530 1317348628 /nfs/dbraw/zinc/34/86/28/1317348628.db2.gz ZXCBRLBVOOVZTB-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]Cc3cccc4n[nH]cc43)CC2)cc1 ZINC000858147166 1328696222 /nfs/dbraw/zinc/69/62/22/1328696222.db2.gz YAJUGCMGCIUAAJ-UHFFFAOYSA-N 2 0 349.482 3.388 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621059 1317501810 /nfs/dbraw/zinc/50/18/10/1317501810.db2.gz VPFATGDUPHBPGT-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC000957647515 1317519420 /nfs/dbraw/zinc/51/94/20/1317519420.db2.gz LAGJTBWFPLSWDO-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000902318802 1317562638 /nfs/dbraw/zinc/56/26/38/1317562638.db2.gz JJSKXBMXMLLDRM-GJZGRUSLSA-N 2 0 337.458 3.159 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001020156287 1317567146 /nfs/dbraw/zinc/56/71/46/1317567146.db2.gz FEVAHRMZGXGKKO-FHWLQOOXSA-N 2 0 347.547 3.068 20 0 EGADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000902360040 1317568318 /nfs/dbraw/zinc/56/83/18/1317568318.db2.gz IWZDLYOAVXETJW-IBGZPJMESA-N 2 0 346.515 3.250 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437216 1317578645 /nfs/dbraw/zinc/57/86/45/1317578645.db2.gz HGSULALSFOKJNB-IDZYALCFSA-N 2 0 335.495 3.111 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@@H](C)c2c[nH+]ccc2N)c1 ZINC000902528939 1317588540 /nfs/dbraw/zinc/58/85/40/1317588540.db2.gz UCBVZTAYCYVNJW-HNNXBMFYSA-N 2 0 328.460 3.388 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001020214330 1317595949 /nfs/dbraw/zinc/59/59/49/1317595949.db2.gz PVACDQSJCZYXPP-WTGUMLROSA-N 2 0 343.515 3.249 20 0 EGADRP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000902948063 1317633495 /nfs/dbraw/zinc/63/34/95/1317633495.db2.gz OVWBUDQDRBCXIG-NJDAHSKKSA-N 2 0 346.515 3.081 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957773920 1317637476 /nfs/dbraw/zinc/63/74/76/1317637476.db2.gz YXPGXEVLMGCHOL-LJQANCHMSA-N 2 0 343.515 3.076 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](CN2C[C@](C)(CC)CC2=O)CC1 ZINC000808177565 1317640653 /nfs/dbraw/zinc/64/06/53/1317640653.db2.gz UFEPTNKMPCKQOJ-HXUWFJFHSA-N 2 0 337.552 3.427 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000957779648 1317642589 /nfs/dbraw/zinc/64/25/89/1317642589.db2.gz SCJOJPIGBGIKOQ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP c1cnn(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cc2)c1 ZINC000903061496 1317645611 /nfs/dbraw/zinc/64/56/11/1317645611.db2.gz FGCXSYRNZZQXOE-VCSGRIEYSA-N 2 0 336.483 3.179 20 0 EGADRP c1ccc(CN2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903065946 1317646673 /nfs/dbraw/zinc/64/66/73/1317646673.db2.gz JEEDDCSCZCJRFJ-CLORWUCXSA-N 2 0 339.527 3.398 20 0 EGADRP c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cc1 ZINC000903075989 1317648343 /nfs/dbraw/zinc/64/83/43/1317648343.db2.gz IJXSLPJWUQDEJA-PRJVBOEPSA-N 2 0 325.500 3.403 20 0 EGADRP CC(=O)OCc1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000903083392 1317649086 /nfs/dbraw/zinc/64/90/86/1317649086.db2.gz GJNJYCXJTFIQSM-OAHLLOKOSA-N 2 0 330.472 3.417 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1OCCc2sccc21 ZINC000903174501 1317668524 /nfs/dbraw/zinc/66/85/24/1317668524.db2.gz KLRJYDHLIROOHY-KWADUKGPSA-N 2 0 332.513 3.498 20 0 EGADRP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000903172594 1317668977 /nfs/dbraw/zinc/66/89/77/1317668977.db2.gz SDFZWRATCUORNV-PHASAHSISA-N 2 0 339.527 3.397 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000903259074 1317681361 /nfs/dbraw/zinc/68/13/61/1317681361.db2.gz KZPOHEISFDZESY-KPFFTGBYSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000903358630 1317690206 /nfs/dbraw/zinc/69/02/06/1317690206.db2.gz LOBCAICYCGWFJM-BVOGOJNSSA-N 2 0 340.511 3.446 20 0 EGADRP Cc1ncccc1CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000903416892 1317698692 /nfs/dbraw/zinc/69/86/92/1317698692.db2.gz XIZFHQCDNWVLRY-KRWDZBQOSA-N 2 0 327.472 3.224 20 0 EGADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)C1 ZINC000903435712 1317700525 /nfs/dbraw/zinc/70/05/25/1317700525.db2.gz WRKOGFAUWLRNHD-YSVLISHTSA-N 2 0 344.434 3.183 20 0 EGADRP FC1(F)C[C@]2(CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)C1(F)F ZINC000903490879 1317706913 /nfs/dbraw/zinc/70/69/13/1317706913.db2.gz LAQWYRRTQULWRN-HNNXBMFYSA-N 2 0 328.353 3.199 20 0 EGADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727968 1317725836 /nfs/dbraw/zinc/72/58/36/1317725836.db2.gz ZZPICNGQUUYJLO-SCTDSRPQSA-N 2 0 334.891 3.116 20 0 EGADRP c1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903728997 1317726199 /nfs/dbraw/zinc/72/61/99/1317726199.db2.gz JBABEAHVMYFHPQ-PMACEKPBSA-N 2 0 328.500 3.100 20 0 EGADRP C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756800 1317730883 /nfs/dbraw/zinc/73/08/83/1317730883.db2.gz WBVRWUJKRQIDPP-CQSZACIVSA-N 2 0 326.843 3.070 20 0 EGADRP Fc1ccccc1C[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766656 1317731212 /nfs/dbraw/zinc/73/12/12/1317731212.db2.gz BQOBDXHVMKITKX-MOPGFXCFSA-N 2 0 346.490 3.381 20 0 EGADRP COc1ccccc1COC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903756793 1317731393 /nfs/dbraw/zinc/73/13/93/1317731393.db2.gz VWUFDVVKPOEZBF-KRWDZBQOSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@@]1(Cc2cccs2)CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789222 1317734121 /nfs/dbraw/zinc/73/41/21/1317734121.db2.gz UWFKJCSLSMMODX-WMZOPIPTSA-N 2 0 334.529 3.304 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000903792983 1317735344 /nfs/dbraw/zinc/73/53/44/1317735344.db2.gz KORSUOJRGCSHQL-CVEARBPZSA-N 2 0 342.405 3.089 20 0 EGADRP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903912180 1317747614 /nfs/dbraw/zinc/74/76/14/1317747614.db2.gz ARFUMHWQPONKRR-JALIKCBVSA-N 2 0 342.409 3.069 20 0 EGADRP C[C@@]1(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CCC[NH2+]C1 ZINC000904338218 1317832618 /nfs/dbraw/zinc/83/26/18/1317832618.db2.gz ONMXILGGPFWOKL-HXUWFJFHSA-N 2 0 339.487 3.041 20 0 EGADRP C[C@@H](O)c1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000809588278 1317837720 /nfs/dbraw/zinc/83/77/20/1317837720.db2.gz XQMMXMOYYVXQAK-OAHLLOKOSA-N 2 0 337.533 3.284 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC000904373698 1317839230 /nfs/dbraw/zinc/83/92/30/1317839230.db2.gz UWRQCKFBIFFSNB-HXUWFJFHSA-N 2 0 345.487 3.121 20 0 EGADRP CCC[C@](C)([NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C)c1ccccc1 ZINC000904469597 1317852279 /nfs/dbraw/zinc/85/22/79/1317852279.db2.gz NMLMWBPTXZBIQC-PXNSSMCTSA-N 2 0 328.504 3.151 20 0 EGADRP COc1ccsc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474956 1317852285 /nfs/dbraw/zinc/85/22/85/1317852285.db2.gz MZIDPEDFJQXTPV-KBXCAEBGSA-N 2 0 330.453 3.102 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001020679267 1317856578 /nfs/dbraw/zinc/85/65/78/1317856578.db2.gz LSZRJIQMCDELBQ-VAMGGRTRSA-N 2 0 343.515 3.106 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000904649529 1317875135 /nfs/dbraw/zinc/87/51/35/1317875135.db2.gz TZIYEZPFFGUUNU-UHFFFAOYSA-N 2 0 344.503 3.265 20 0 EGADRP [NH3+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000904663906 1317878391 /nfs/dbraw/zinc/87/83/91/1317878391.db2.gz ARAKLFAYYDIRIG-LJQANCHMSA-N 2 0 338.455 3.104 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905048828 1317916409 /nfs/dbraw/zinc/91/64/09/1317916409.db2.gz FNBDXPDROOQHBG-FQEVSTJZSA-N 2 0 348.531 3.063 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNc3cc[nH+]c(CO)c3)cc2)CC1 ZINC000858340939 1328740541 /nfs/dbraw/zinc/74/05/41/1328740541.db2.gz SSPPDUWHSQYJDE-UHFFFAOYSA-N 2 0 325.456 3.418 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)c1 ZINC001021090555 1318078896 /nfs/dbraw/zinc/07/88/96/1318078896.db2.gz HUUHNVRGSFFGGK-MXVIHJGJSA-N 2 0 341.499 3.099 20 0 EGADRP CC(C)(C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000906442530 1318100682 /nfs/dbraw/zinc/10/06/82/1318100682.db2.gz IGNGKPAAIVJQDK-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000906586406 1318121132 /nfs/dbraw/zinc/12/11/32/1318121132.db2.gz GEKZYOKEQISMDP-WOJBJXKFSA-N 2 0 345.506 3.031 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001021211238 1318142522 /nfs/dbraw/zinc/14/25/22/1318142522.db2.gz RXJWIJAZOJUVDB-RAFMOHDBSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021308310 1318181382 /nfs/dbraw/zinc/18/13/82/1318181382.db2.gz ZSNOPFCSBSWOEG-RAFMOHDBSA-N 2 0 347.547 3.019 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960033872 1318320521 /nfs/dbraw/zinc/32/05/21/1318320521.db2.gz URAZYWCRKPVENJ-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC000960155081 1318388254 /nfs/dbraw/zinc/38/82/54/1318388254.db2.gz AIDHZYOHUKYIRN-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC1(C)CC(C[NH2+]C[C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC000960221703 1318417244 /nfs/dbraw/zinc/41/72/44/1318417244.db2.gz WZUDVOWEPNNTOL-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021703934 1318576893 /nfs/dbraw/zinc/57/68/93/1318576893.db2.gz CXAGATXGOBSYAH-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960629041 1318755631 /nfs/dbraw/zinc/75/56/31/1318755631.db2.gz PSHJYVHPLOCANV-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960663586 1318781248 /nfs/dbraw/zinc/78/12/48/1318781248.db2.gz IBPKVONHMGXHBP-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960663583 1318782420 /nfs/dbraw/zinc/78/24/20/1318782420.db2.gz IBPKVONHMGXHBP-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001022069969 1318788179 /nfs/dbraw/zinc/78/81/79/1318788179.db2.gz PUYJDZGAIZMPFA-FFGOWVMKSA-N 2 0 343.515 3.166 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001022279331 1318871646 /nfs/dbraw/zinc/87/16/46/1318871646.db2.gz WHQPUYDHQBUYCI-WCIQWLHISA-N 2 0 345.531 3.131 20 0 EGADRP Cn1ncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1Cl ZINC000815122238 1318899517 /nfs/dbraw/zinc/89/95/17/1318899517.db2.gz KBSKBWFHEJWGFL-UHFFFAOYSA-N 2 0 338.908 3.137 20 0 EGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn(C)c2Cl)C[N@@H+]1Cc1ccccc1 ZINC000815131445 1318905533 /nfs/dbraw/zinc/90/55/33/1318905533.db2.gz DINQPRSPJGABDI-DOTOQJQBSA-N 2 0 346.906 3.464 20 0 EGADRP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001022492523 1318963922 /nfs/dbraw/zinc/96/39/22/1318963922.db2.gz FJGMAMHDDVEGEV-ZCNNSNEGSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960903859 1319045656 /nfs/dbraw/zinc/04/56/56/1319045656.db2.gz DPBVGOATVJJHGJ-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)[NH+]1CCCCCC1 ZINC000960916770 1319063030 /nfs/dbraw/zinc/06/30/30/1319063030.db2.gz NZCTUKXEXLJDRD-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001022807726 1319118910 /nfs/dbraw/zinc/11/89/10/1319118910.db2.gz MJMRWLZZBWXSIO-YSIASYRMSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022808598 1319119216 /nfs/dbraw/zinc/11/92/16/1319119216.db2.gz YBAVITJQFUMOEI-ZCNNSNEGSA-N 2 0 349.563 3.457 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1)CC1CCCCC1 ZINC000961027550 1319149205 /nfs/dbraw/zinc/14/92/05/1319149205.db2.gz NRCRGTBSPYHACY-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP Cn1c2ccc(C[NH2+]CCCCCCC[NH+]3CCCC3)cc2oc1=O ZINC000816548709 1319180119 /nfs/dbraw/zinc/18/01/19/1319180119.db2.gz QAFHDIUVBODHFD-UHFFFAOYSA-N 2 0 345.487 3.267 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817894814 1319452570 /nfs/dbraw/zinc/45/25/70/1319452570.db2.gz QDVGWETYHHLUDS-HSALFYBXSA-N 2 0 326.440 3.242 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817893000 1319453513 /nfs/dbraw/zinc/45/35/13/1319453513.db2.gz BFOPTUSXYZGXMO-IYWMVGAKSA-N 2 0 332.488 3.018 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902718 1319456740 /nfs/dbraw/zinc/45/67/40/1319456740.db2.gz XTVMRQMQJVYBQL-HUUCEWRRSA-N 2 0 329.257 3.380 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000817922136 1319461780 /nfs/dbraw/zinc/46/17/80/1319461780.db2.gz RKPAEZOWOFAAMS-RDJZCZTQSA-N 2 0 331.460 3.044 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926386 1319462879 /nfs/dbraw/zinc/46/28/79/1319462879.db2.gz HVLRFIJJZOGWQM-DTCNJJKHSA-N 2 0 345.270 3.159 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817930377 1319465438 /nfs/dbraw/zinc/46/54/38/1319465438.db2.gz BWSADAPHTCVGLA-JKSUJKDBSA-N 2 0 326.440 3.259 20 0 EGADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817947851 1319473066 /nfs/dbraw/zinc/47/30/66/1319473066.db2.gz CSGQJGNOIHOKFP-PKOBYXMFSA-N 2 0 332.488 3.180 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023367228 1319478524 /nfs/dbraw/zinc/47/85/24/1319478524.db2.gz XOVCYKUHSOVMOJ-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000817969887 1319481350 /nfs/dbraw/zinc/48/13/50/1319481350.db2.gz HKUSQJFMTUJCTE-KFKAGJAMSA-N 3 0 333.520 3.458 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CC[NH2+]CC1 ZINC000817973126 1319482819 /nfs/dbraw/zinc/48/28/19/1319482819.db2.gz BTILICGMFIABEO-CQSZACIVSA-N 2 0 340.895 3.324 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001023371731 1319484522 /nfs/dbraw/zinc/48/45/22/1319484522.db2.gz DHSLOQFIAOOGDZ-SLFFLAALSA-N 2 0 347.547 3.045 20 0 EGADRP COc1cccc2c1OC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C2 ZINC000817983810 1319485412 /nfs/dbraw/zinc/48/54/12/1319485412.db2.gz QVMQCZOUZUZDOJ-QZTJIDSGSA-N 2 0 326.440 3.069 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)ccc1OC ZINC000817985585 1319486632 /nfs/dbraw/zinc/48/66/32/1319486632.db2.gz MEZDXKZYRXTMCO-KRWDZBQOSA-N 3 0 345.531 3.497 20 0 EGADRP O=C(NC[C@H]1CCC[N@H+](CC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001023413716 1319517300 /nfs/dbraw/zinc/51/73/00/1319517300.db2.gz IBIGQZKFHWNBLI-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1ccc2c(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc(=O)oc2c1 ZINC000818340401 1319530891 /nfs/dbraw/zinc/53/08/91/1319530891.db2.gz LVUPWSWQTCURLR-OAHLLOKOSA-N 2 0 326.440 3.065 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469765 1319568256 /nfs/dbraw/zinc/56/82/56/1319568256.db2.gz NGWUUPTVGJNKTJ-KRWDZBQOSA-N 2 0 342.487 3.212 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2F)c1 ZINC000818969538 1319596885 /nfs/dbraw/zinc/59/68/85/1319596885.db2.gz GEVKDRDFXSYZCG-IBGZPJMESA-N 2 0 334.410 3.240 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000818985633 1319604673 /nfs/dbraw/zinc/60/46/73/1319604673.db2.gz UEVZHPZTDHUJNO-CXAGYDPISA-N 2 0 328.859 3.223 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccc1F ZINC000818986008 1319604990 /nfs/dbraw/zinc/60/49/90/1319604990.db2.gz CPCHESWZNRVCSU-LJQANCHMSA-N 2 0 348.487 3.422 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818988501 1319607867 /nfs/dbraw/zinc/60/78/67/1319607867.db2.gz AFBYXZXZBJOXQV-MRXNPFEDSA-N 2 0 331.287 3.348 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000818989579 1319608921 /nfs/dbraw/zinc/60/89/21/1319608921.db2.gz NYNYFABZMBBXGQ-MRXNPFEDSA-N 2 0 330.394 3.060 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000819015656 1319614968 /nfs/dbraw/zinc/61/49/68/1319614968.db2.gz MTMLEJAWNLELEY-NQIIRXRSSA-N 2 0 342.458 3.013 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1F ZINC000819015563 1319615034 /nfs/dbraw/zinc/61/50/34/1319615034.db2.gz KBZPLMFFLYYVOJ-RXVVDRJESA-N 2 0 342.458 3.013 20 0 EGADRP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000819205775 1319668078 /nfs/dbraw/zinc/66/80/78/1319668078.db2.gz NCJMRLIXWWSCAY-IBGZPJMESA-N 2 0 345.874 3.275 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001023572613 1319687972 /nfs/dbraw/zinc/68/79/72/1319687972.db2.gz IZWRNPHXQSJVFR-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP O=C(NC1CC(C[NH2+]CC2CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000962219575 1319865290 /nfs/dbraw/zinc/86/52/90/1319865290.db2.gz DDYLZVHGJZAWKU-QLOJAFMTSA-N 2 0 347.547 3.068 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000822455947 1320084062 /nfs/dbraw/zinc/08/40/62/1320084062.db2.gz NGBDAMNVNXKBFS-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]1CC[NH2+][C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000822659189 1320109913 /nfs/dbraw/zinc/10/99/13/1320109913.db2.gz MUHBAGFNECYIAU-RHSMWYFYSA-N 2 0 326.444 3.393 20 0 EGADRP Brc1ccc(C[C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000823591465 1320189393 /nfs/dbraw/zinc/18/93/93/1320189393.db2.gz QXGPXLSQSDWHOS-QGZVFWFLSA-N 2 0 337.305 3.456 20 0 EGADRP C[C@@H]1C[C@H](NCc2cc(C3CC3)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000823966682 1320218948 /nfs/dbraw/zinc/21/89/48/1320218948.db2.gz ZOUPRWKTIQBTSM-VQIMIIECSA-N 2 0 338.499 3.440 20 0 EGADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCCC2)o1 ZINC000824366000 1320251151 /nfs/dbraw/zinc/25/11/51/1320251151.db2.gz GIGWUILISPWYTQ-MSOLQXFVSA-N 2 0 345.487 3.012 20 0 EGADRP CCCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000827519653 1320458319 /nfs/dbraw/zinc/45/83/19/1320458319.db2.gz QMUAPDFXIUQZBZ-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc([C@H](O)[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000839093341 1320868773 /nfs/dbraw/zinc/86/87/73/1320868773.db2.gz YQMSTRKSCQQIEM-OXJNMPFZSA-N 2 0 325.456 3.071 20 0 EGADRP COC(=O)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000839554241 1320937996 /nfs/dbraw/zinc/93/79/96/1320937996.db2.gz WNPFHCRDCBLXQY-IBGZPJMESA-N 2 0 330.472 3.104 20 0 EGADRP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000841029171 1321203839 /nfs/dbraw/zinc/20/38/39/1321203839.db2.gz VEBXTAZQNUCEPK-HOCLYGCPSA-N 2 0 346.462 3.256 20 0 EGADRP COc1c(Br)cccc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032879 1321204534 /nfs/dbraw/zinc/20/45/34/1321204534.db2.gz GREBLAXTLDMICT-UHFFFAOYSA-N 2 0 349.272 3.249 20 0 EGADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841035411 1321205585 /nfs/dbraw/zinc/20/55/85/1321205585.db2.gz ZWIRRKWPMNSRGX-HNNXBMFYSA-N 2 0 326.440 3.027 20 0 EGADRP C[NH+](C)[C@H](CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000841433657 1321271670 /nfs/dbraw/zinc/27/16/70/1321271670.db2.gz XOXOULWJXGKXLB-LJQANCHMSA-N 2 0 343.515 3.014 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000859213374 1328947986 /nfs/dbraw/zinc/94/79/86/1328947986.db2.gz MYNGBFZZVGQCNP-HXUWFJFHSA-N 2 0 343.515 3.114 20 0 EGADRP CC(C)[N@H+](CCCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000842471462 1321392552 /nfs/dbraw/zinc/39/25/52/1321392552.db2.gz CLXQPBSHBWLEIF-UHFFFAOYSA-N 2 0 330.476 3.455 20 0 EGADRP O[C@H](C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1cccs1 ZINC000842472780 1321393279 /nfs/dbraw/zinc/39/32/79/1321393279.db2.gz KJDISXYCGKBYDV-FUHWJXTLSA-N 2 0 330.497 3.283 20 0 EGADRP c1cc(C[NH+]2CCCC2)cc(-c2noc(CCC3CC[NH2+]CC3)n2)c1 ZINC000843181840 1321483179 /nfs/dbraw/zinc/48/31/79/1321483179.db2.gz HTEFNQJJSKZADS-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000843340506 1321502094 /nfs/dbraw/zinc/50/20/94/1321502094.db2.gz RHYYUDVIIQZWIP-DSLXNQLJSA-N 2 0 341.499 3.242 20 0 EGADRP CC(C)C[C@@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843353670 1321505425 /nfs/dbraw/zinc/50/54/25/1321505425.db2.gz IKWYIEXRTKJVAN-CTWPCTMYSA-N 2 0 331.504 3.092 20 0 EGADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc2ccccc2c1 ZINC000843387556 1321509569 /nfs/dbraw/zinc/50/95/69/1321509569.db2.gz SCRCETKSJOATFQ-LJQANCHMSA-N 2 0 337.467 3.100 20 0 EGADRP C[C@@H](CC(=O)OC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)n1ccnc1 ZINC000845475945 1321710651 /nfs/dbraw/zinc/71/06/51/1321710651.db2.gz DIQJWGXVQADWGU-FXAWDEMLSA-N 2 0 341.455 3.432 20 0 EGADRP CC[C@H](C)c1ccc(NC(=O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000846224992 1321777352 /nfs/dbraw/zinc/77/73/52/1321777352.db2.gz HTBJXTYYAGZJTJ-KNBMTAEXSA-N 2 0 329.488 3.199 20 0 EGADRP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCCCCC[NH3+])C2)cc1 ZINC000846218621 1321777711 /nfs/dbraw/zinc/77/77/11/1321777711.db2.gz UBYKEGZDSIGWQZ-GOSISDBHSA-N 2 0 346.519 3.348 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(Br)CC1 ZINC000846856735 1321817066 /nfs/dbraw/zinc/81/70/66/1321817066.db2.gz GLAOHKLMKIWYJW-GDBMZVCRSA-N 2 0 337.305 3.414 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(Br)CC1 ZINC000846856737 1321817219 /nfs/dbraw/zinc/81/72/19/1321817219.db2.gz GLAOHKLMKIWYJW-HOCLYGCPSA-N 2 0 337.305 3.414 20 0 EGADRP COCC(COC)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000930868738 1328992570 /nfs/dbraw/zinc/99/25/70/1328992570.db2.gz SQCYNRYZCHBMDY-UHFFFAOYSA-N 2 0 346.515 3.026 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000849055253 1322060485 /nfs/dbraw/zinc/06/04/85/1322060485.db2.gz XTZASJFTMVQGJN-GOSISDBHSA-N 2 0 346.519 3.210 20 0 EGADRP CC(C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCCCC1 ZINC000849055159 1322061101 /nfs/dbraw/zinc/06/11/01/1322061101.db2.gz IMQQUGIAYIPSFE-LJQANCHMSA-N 2 0 330.520 3.244 20 0 EGADRP C[C@@H](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000849079693 1322070057 /nfs/dbraw/zinc/07/00/57/1322070057.db2.gz HEPGLNCLQCXCRI-HNNXBMFYSA-N 2 0 346.475 3.049 20 0 EGADRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCCN(C)CC[NH+](C)C)cc1 ZINC000849081918 1322070946 /nfs/dbraw/zinc/07/09/46/1322070946.db2.gz QBSRCRLGOAMPQM-INIZCTEOSA-N 2 0 333.524 3.020 20 0 EGADRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000849089560 1322073897 /nfs/dbraw/zinc/07/38/97/1322073897.db2.gz HGTWNAXXXFPDEM-IBGZPJMESA-N 2 0 328.504 3.299 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000849096069 1322076145 /nfs/dbraw/zinc/07/61/45/1322076145.db2.gz YSUWFQSUCKGNMQ-FQEVSTJZSA-N 2 0 336.483 3.131 20 0 EGADRP C[C@@H]1CC[C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849093997 1322076190 /nfs/dbraw/zinc/07/61/90/1322076190.db2.gz SIKPDBJBKUMMRC-SJLPKXTDSA-N 2 0 328.504 3.201 20 0 EGADRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000849105204 1322080611 /nfs/dbraw/zinc/08/06/11/1322080611.db2.gz FIYFKWXODCEXIT-KRWDZBQOSA-N 2 0 330.476 3.427 20 0 EGADRP CC(C)C(C)(C)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849108533 1322081236 /nfs/dbraw/zinc/08/12/36/1322081236.db2.gz QQSMLIFUPLENAG-UHFFFAOYSA-N 2 0 330.520 3.447 20 0 EGADRP C[N@H+](CCCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000849116499 1322084602 /nfs/dbraw/zinc/08/46/02/1322084602.db2.gz REGQDXQMEGQOEO-UHFFFAOYSA-N 2 0 342.409 3.194 20 0 EGADRP Clc1ncccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850362567 1322234839 /nfs/dbraw/zinc/23/48/39/1322234839.db2.gz PEYQUEFDKFQMJG-UHFFFAOYSA-N 2 0 330.863 3.132 20 0 EGADRP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000850578376 1322271999 /nfs/dbraw/zinc/27/19/99/1322271999.db2.gz LZRIVEHENFMJLE-AWEZNQCLSA-N 2 0 327.513 3.094 20 0 EGADRP Cc1ccc2cc(C[NH2+][C@@H]3C[C@@]4(C[N@@H+](C)[C@@H]4C(C)C)C[C@H]3O)[nH]c2c1 ZINC000922390978 1322517065 /nfs/dbraw/zinc/51/70/65/1322517065.db2.gz QBUFWOIDYDQOLR-NCYKPQTJSA-N 2 0 341.499 3.046 20 0 EGADRP CCCC[N@H+](Cc1ccn(C)c(=O)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034024 1329033583 /nfs/dbraw/zinc/03/35/83/1329033583.db2.gz WLDIPCSZFMLGBZ-UHFFFAOYSA-N 2 0 333.520 3.297 20 0 EGADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923295941 1322727914 /nfs/dbraw/zinc/72/79/14/1322727914.db2.gz LAXZPVRFIAPRFP-CTNGQTDRSA-N 2 0 342.483 3.056 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503269 1322763670 /nfs/dbraw/zinc/76/36/70/1322763670.db2.gz ICKLHQLRIZBQOU-ROUUACIJSA-N 2 0 343.515 3.424 20 0 EGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)c1cccs1 ZINC000923504490 1322764660 /nfs/dbraw/zinc/76/46/60/1322764660.db2.gz YXDZSTWKBHHSHD-HZPDHXFCSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000924604859 1323071836 /nfs/dbraw/zinc/07/18/36/1323071836.db2.gz RJOOEKRVUXLZMO-PXNSSMCTSA-N 2 0 343.515 3.065 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024009980 1323078210 /nfs/dbraw/zinc/07/82/10/1323078210.db2.gz COPRXGFVPOTJBL-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001024017972 1323080308 /nfs/dbraw/zinc/08/03/08/1323080308.db2.gz ZHFLJMYZQBSDDZ-ROUUACIJSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000851807261 1323095558 /nfs/dbraw/zinc/09/55/58/1323095558.db2.gz DUHBOXFSCKHEFQ-HKBOAZHASA-N 2 0 348.531 3.056 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000962810227 1323106978 /nfs/dbraw/zinc/10/69/78/1323106978.db2.gz VTXJGHDKGCMNJV-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684138 1323110984 /nfs/dbraw/zinc/11/09/84/1323110984.db2.gz BYDRTPTXXSUCLI-ZWKOTPCHSA-N 2 0 341.503 3.430 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2CCCO)c1 ZINC000924704413 1323122628 /nfs/dbraw/zinc/12/26/28/1323122628.db2.gz PBVVSJNMFKPLEC-AZUAARDMSA-N 2 0 334.504 3.048 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC(C[NH2+]CC3CCC3)C2)o1 ZINC000962867007 1323135736 /nfs/dbraw/zinc/13/57/36/1323135736.db2.gz UYPDXXYRGNJYFO-UHFFFAOYSA-N 2 0 347.503 3.020 20 0 EGADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924756124 1323146649 /nfs/dbraw/zinc/14/66/49/1323146649.db2.gz LBYYWNPXCXQNBC-QFBILLFUSA-N 2 0 344.474 3.389 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CNC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000924791898 1323164691 /nfs/dbraw/zinc/16/46/91/1323164691.db2.gz RXCWPCMPFTVOFC-OTYNDTSQSA-N 2 0 327.516 3.256 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001024189159 1323199514 /nfs/dbraw/zinc/19/95/14/1323199514.db2.gz VYNLUCMWUNKRHE-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000924932475 1323218444 /nfs/dbraw/zinc/21/84/44/1323218444.db2.gz JBTKNSQENCWNQG-INIZCTEOSA-N 2 0 343.515 3.367 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F)N1CC[NH+](C)CC1 ZINC000924963076 1323230788 /nfs/dbraw/zinc/23/07/88/1323230788.db2.gz DGTZORNGLFHHDT-RYUDHWBXSA-N 2 0 348.293 3.419 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000852753639 1323235707 /nfs/dbraw/zinc/23/57/07/1323235707.db2.gz FKECHEVQOSDGJC-QGZVFWFLSA-N 2 0 340.467 3.313 20 0 EGADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ncccc1Cl ZINC000925023705 1323248416 /nfs/dbraw/zinc/24/84/16/1323248416.db2.gz PGLIVTRVLOYBQQ-RDJZCZTQSA-N 2 0 339.911 3.403 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000925086687 1323275201 /nfs/dbraw/zinc/27/52/01/1323275201.db2.gz QBAKUFZEQLPWCA-GPANFISMSA-N 2 0 341.540 3.246 20 0 EGADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccccn1 ZINC000853097983 1323281783 /nfs/dbraw/zinc/28/17/83/1323281783.db2.gz DSPIIKKBXJIMNX-NRFANRHFSA-N 2 0 339.483 3.281 20 0 EGADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)c2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000853104795 1323283539 /nfs/dbraw/zinc/28/35/39/1323283539.db2.gz XNLBHWBGXJZQKP-QFUCXCTJSA-N 2 0 339.483 3.005 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436435 1323396156 /nfs/dbraw/zinc/39/61/56/1323396156.db2.gz DCEYSOYWWKEORF-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001024447397 1323405636 /nfs/dbraw/zinc/40/56/36/1323405636.db2.gz VVDFFXYWQPFKNQ-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2=CCCCC2)CC[N@@H+]1C ZINC001024448716 1323407966 /nfs/dbraw/zinc/40/79/66/1323407966.db2.gz WKSBOPRQVJRZNQ-HSALFYBXSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024514125 1323463459 /nfs/dbraw/zinc/46/34/59/1323463459.db2.gz VXALTXUFGUHNNB-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524454 1323471574 /nfs/dbraw/zinc/47/15/74/1323471574.db2.gz VUYXORBYFZLWML-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024613871 1323543012 /nfs/dbraw/zinc/54/30/12/1323543012.db2.gz CXTSZRVBNXVIKL-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC(C)(C)C)CC[N@@H+]1C ZINC001024619678 1323547143 /nfs/dbraw/zinc/54/71/43/1323547143.db2.gz ADADUIPAHPSVMU-BZSNNMDCSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCC2)CC1 ZINC001024738192 1323638050 /nfs/dbraw/zinc/63/80/50/1323638050.db2.gz QVLZHWLUUQMERY-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024812627 1323714944 /nfs/dbraw/zinc/71/49/44/1323714944.db2.gz QGFFWXFCYMZDOG-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001024902303 1323772087 /nfs/dbraw/zinc/77/20/87/1323772087.db2.gz NJQKFQDVBGIADS-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1)C1CC1 ZINC001024985091 1323813232 /nfs/dbraw/zinc/81/32/32/1323813232.db2.gz LIYQCFYJXBAIPK-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)[NH+]1CCCC1 ZINC001025038454 1323841275 /nfs/dbraw/zinc/84/12/75/1323841275.db2.gz XPLIJEFOQSCSRP-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440460 1329117851 /nfs/dbraw/zinc/11/78/51/1329117851.db2.gz HZPAGRIPHXLDOV-HZSPNIEDSA-N 2 0 334.414 3.376 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3cc(-c4ccccc4Cl)on3)C[C@@H]2C1 ZINC000931441957 1329117988 /nfs/dbraw/zinc/11/79/88/1329117988.db2.gz RZQAVSYGPRGFCQ-KGLIPLIRSA-N 2 0 331.847 3.379 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025084572 1323885998 /nfs/dbraw/zinc/88/59/98/1323885998.db2.gz DJAMMRSQWWNUHY-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025135680 1323913612 /nfs/dbraw/zinc/91/36/12/1323913612.db2.gz HUXZKFWRVXBBHJ-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239863 1324032361 /nfs/dbraw/zinc/03/23/61/1324032361.db2.gz JQEQHJBEIAXMEO-RTBURBONSA-N 2 0 335.536 3.116 20 0 EGADRP C[N@H+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC1CCC1)C1CCC1 ZINC001025241383 1324036855 /nfs/dbraw/zinc/03/68/55/1324036855.db2.gz WWWAKUBFQFCPLI-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470403 1324314832 /nfs/dbraw/zinc/31/48/32/1324314832.db2.gz XCLPCIDQUNDPSF-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001025521658 1324364962 /nfs/dbraw/zinc/36/49/62/1324364962.db2.gz DWXWUQGKOGYFFQ-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001025521664 1324365773 /nfs/dbraw/zinc/36/57/73/1324365773.db2.gz DWXWUQGKOGYFFQ-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025629064 1324480142 /nfs/dbraw/zinc/48/01/42/1324480142.db2.gz ZPSMSEBBOIMJBP-FXAWDEMLSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026501907 1324852673 /nfs/dbraw/zinc/85/26/73/1324852673.db2.gz IQHXCDOCDNGSKS-UHFFFAOYSA-N 2 0 349.544 3.240 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001026540324 1324877078 /nfs/dbraw/zinc/87/70/78/1324877078.db2.gz HJQNQVCTXBREKR-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026590815 1324917156 /nfs/dbraw/zinc/91/71/56/1324917156.db2.gz IIGNZCRZZXVUHC-CTWPCTMYSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001026606038 1324927510 /nfs/dbraw/zinc/92/75/10/1324927510.db2.gz NSTRXLICEDGRAD-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000925118096 1325053149 /nfs/dbraw/zinc/05/31/49/1325053149.db2.gz RBVPRJLXCZHSQV-SFHVURJKSA-N 2 0 348.874 3.263 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026872900 1325058203 /nfs/dbraw/zinc/05/82/03/1325058203.db2.gz BHWJCNVQPNSASY-MRXNPFEDSA-N 2 0 349.544 3.052 20 0 EGADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925472856 1325166218 /nfs/dbraw/zinc/16/62/18/1325166218.db2.gz JIBRVHHEGYIXRF-HXUWFJFHSA-N 2 0 345.531 3.483 20 0 EGADRP Fc1ccc(CN2CCC([NH2+][C@H]3CC[NH2+]C34CCCC4)CC2)cc1F ZINC000925474886 1325166462 /nfs/dbraw/zinc/16/64/62/1325166462.db2.gz SERHPQJXEZFRNX-IBGZPJMESA-N 2 0 349.469 3.194 20 0 EGADRP Fc1ccc(N2CC[C@@H](C[NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1F ZINC000925485391 1325171132 /nfs/dbraw/zinc/17/11/32/1325171132.db2.gz MONCMJIFPWTINF-KSSFIOAISA-N 2 0 335.442 3.055 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925497600 1325177924 /nfs/dbraw/zinc/17/79/24/1325177924.db2.gz IFSCNPPXDMJQMA-IMJJTQAJSA-N 2 0 339.405 3.144 20 0 EGADRP CCCNC(=O)c1cccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925559723 1325209259 /nfs/dbraw/zinc/20/92/59/1325209259.db2.gz CDQHUPAUKOTGBE-HXUWFJFHSA-N 2 0 339.483 3.396 20 0 EGADRP c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc(N2CCCCC2)n1 ZINC000925562625 1325210665 /nfs/dbraw/zinc/21/06/65/1325210665.db2.gz INCNFLZQGTXFPB-VQTJNVASSA-N 2 0 342.531 3.330 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000925577456 1325218354 /nfs/dbraw/zinc/21/83/54/1325218354.db2.gz OVLHXGQKBVCNTH-ROUUACIJSA-N 2 0 326.550 3.141 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000925577455 1325218388 /nfs/dbraw/zinc/21/83/88/1325218388.db2.gz OVLHXGQKBVCNTH-QZTJIDSGSA-N 2 0 326.550 3.141 20 0 EGADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCC([NH2+]CC2CC2)CC1 ZINC000963419071 1325227193 /nfs/dbraw/zinc/22/71/93/1325227193.db2.gz CAFXZNQTTAVGQH-QLOJAFMTSA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027104210 1325228920 /nfs/dbraw/zinc/22/89/20/1325228920.db2.gz NCUJAHFUQNZROU-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CCON1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000925613167 1325231740 /nfs/dbraw/zinc/23/17/40/1325231740.db2.gz AQPHQGZAHLUGHI-QUCCMNQESA-N 2 0 345.531 3.293 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(c3ccc(Cl)c(F)c3)C1)[NH2+]2 ZINC000925625589 1325236910 /nfs/dbraw/zinc/23/69/10/1325236910.db2.gz GTSIRRPKFURAFA-RDLJHEDLSA-N 2 0 337.870 3.176 20 0 EGADRP COCCC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Cl)cc1 ZINC000925664018 1325254839 /nfs/dbraw/zinc/25/48/39/1325254839.db2.gz BVQQXCFRJFBOOC-ZHAUUAPESA-N 2 0 348.918 3.436 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]2C1 ZINC000855091749 1325341788 /nfs/dbraw/zinc/34/17/88/1325341788.db2.gz CMDWQLWKOXJMGD-MOPGFXCFSA-N 2 0 346.478 3.385 20 0 EGADRP Cc1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000926125072 1325439273 /nfs/dbraw/zinc/43/92/73/1325439273.db2.gz JYLPASXEVJGJRZ-NHCUHLMSSA-N 2 0 336.479 3.339 20 0 EGADRP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926200759 1325467532 /nfs/dbraw/zinc/46/75/32/1325467532.db2.gz UZPPTTQVICKTPX-HUUCEWRRSA-N 2 0 335.492 3.312 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC[N@@H+]1C ZINC000857136036 1325577801 /nfs/dbraw/zinc/57/78/01/1325577801.db2.gz ZLTYBUHBZSYORS-NSISKUIASA-N 2 0 343.515 3.051 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000926523079 1325587720 /nfs/dbraw/zinc/58/77/20/1325587720.db2.gz ZRLXABDLJGXGFV-OAHLLOKOSA-N 2 0 346.496 3.003 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3cccnc3)C2)CC1 ZINC000926532447 1325588164 /nfs/dbraw/zinc/58/81/64/1325588164.db2.gz XZUBTSAYJSECOJ-PMACEKPBSA-N 2 0 331.504 3.402 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001027416995 1327644384 /nfs/dbraw/zinc/64/43/84/1327644384.db2.gz RAPFALJLCZHHEL-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1noc(C)c1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926692693 1327669691 /nfs/dbraw/zinc/66/96/91/1327669691.db2.gz IVOHJHKCOFSKOY-AWEZNQCLSA-N 2 0 328.460 3.249 20 0 EGADRP CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001027439100 1327679828 /nfs/dbraw/zinc/67/98/28/1327679828.db2.gz FZVMYFMXVHOAOA-CTWPCTMYSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441687 1327681889 /nfs/dbraw/zinc/68/18/89/1327681889.db2.gz JJDADLLKUIUUNG-FQEVSTJZSA-N 2 0 347.547 3.284 20 0 EGADRP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441688 1327683061 /nfs/dbraw/zinc/68/30/61/1327683061.db2.gz JJDADLLKUIUUNG-HXUWFJFHSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cc[nH]c(=O)c1 ZINC000926776443 1327711595 /nfs/dbraw/zinc/71/15/95/1327711595.db2.gz AQQXOOLRDXEIBL-GJYPPUQNSA-N 2 0 325.456 3.206 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@H](O)C(F)(F)F ZINC000926786853 1327718427 /nfs/dbraw/zinc/71/84/27/1327718427.db2.gz JUSLDLXHRVPVTE-RCBQFDQVSA-N 2 0 332.410 3.347 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000926846936 1327739761 /nfs/dbraw/zinc/73/97/61/1327739761.db2.gz XEJAMGJTHCGTBJ-IBGZPJMESA-N 2 0 338.536 3.062 20 0 EGADRP Cc1noc(C2CCC([NH2+]C3CCC(C)([NH+]4CCC4)CC3)CC2)n1 ZINC000927039361 1327827758 /nfs/dbraw/zinc/82/77/58/1327827758.db2.gz UQCMIXDXFACLNH-UHFFFAOYSA-N 2 0 332.492 3.401 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000927091435 1327857274 /nfs/dbraw/zinc/85/72/74/1327857274.db2.gz OVMFHQSPZFFVPF-MRXNPFEDSA-N 2 0 340.467 3.413 20 0 EGADRP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000927098089 1327860325 /nfs/dbraw/zinc/86/03/25/1327860325.db2.gz BFFBZAKBZFONAL-HNNXBMFYSA-N 2 0 342.487 3.089 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001027575554 1327910066 /nfs/dbraw/zinc/91/00/66/1327910066.db2.gz BEEFMINTSITEDK-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001027578675 1327913351 /nfs/dbraw/zinc/91/33/51/1327913351.db2.gz QOPITVZLDGGTAP-PMACEKPBSA-N 2 0 345.531 3.066 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CC3CCCCCC3)C2)C1 ZINC001027576536 1327915326 /nfs/dbraw/zinc/91/53/26/1327915326.db2.gz QNPWRAACKYJLNX-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680652 1328078560 /nfs/dbraw/zinc/07/85/60/1328078560.db2.gz IKNLGPOINRVPKI-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001027694551 1328100909 /nfs/dbraw/zinc/10/09/09/1328100909.db2.gz CHHGNGHYCGTNDR-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027795575 1328232241 /nfs/dbraw/zinc/23/22/41/1328232241.db2.gz XPTAWFKDTMVMNU-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027878736 1328343903 /nfs/dbraw/zinc/34/39/03/1328343903.db2.gz HRDDYNLSXGVXFL-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885415 1328351500 /nfs/dbraw/zinc/35/15/00/1328351500.db2.gz DYANVOVDUKDYKI-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027919389 1328396821 /nfs/dbraw/zinc/39/68/21/1328396821.db2.gz VPCYPTRGWAVNDO-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027986312 1328458129 /nfs/dbraw/zinc/45/81/29/1328458129.db2.gz URMYUPRPIUFIAZ-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000865496038 1329705249 /nfs/dbraw/zinc/70/52/49/1329705249.db2.gz RFGSZQBBXODNJE-VQTJNVASSA-N 2 0 346.515 3.331 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000865717170 1329732200 /nfs/dbraw/zinc/73/22/00/1329732200.db2.gz RFNNDVQVOGDYLR-UHFFFAOYSA-N 2 0 326.488 3.472 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1)CC1CC1 ZINC000935215940 1330035822 /nfs/dbraw/zinc/03/58/22/1330035822.db2.gz NOGSCMJYQINUGU-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000866260994 1330086951 /nfs/dbraw/zinc/08/69/51/1330086951.db2.gz YLWRSSUBRLTJTA-OXQOHEQNSA-N 2 0 333.495 3.066 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000866413410 1330108833 /nfs/dbraw/zinc/10/88/33/1330108833.db2.gz QXAFUTAGILCCTP-MISYRCLQSA-N 2 0 328.500 3.303 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000866467378 1330116055 /nfs/dbraw/zinc/11/60/55/1330116055.db2.gz GKHLNHASEFWXMH-QXAKKESOSA-N 2 0 338.536 3.454 20 0 EGADRP CC[NH+]1CCC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000866468652 1330116087 /nfs/dbraw/zinc/11/60/87/1330116087.db2.gz HGCVPIASYUTFPS-UHFFFAOYSA-N 3 0 329.532 3.363 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCC2CC[NH+](C(C)C)CC2)cc1 ZINC000868166861 1330258079 /nfs/dbraw/zinc/25/80/79/1330258079.db2.gz HVJDRUPGIPFKCX-UHFFFAOYSA-N 2 0 332.492 3.038 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCC2CC[NH+](C(C)C)CC2)c1 ZINC000868166885 1330258133 /nfs/dbraw/zinc/25/81/33/1330258133.db2.gz BTQDMHOYGFLMHQ-UHFFFAOYSA-N 2 0 332.492 3.086 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747377 1331177956 /nfs/dbraw/zinc/17/79/56/1331177956.db2.gz IVCQFCDVVVXUJF-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237092 1331401671 /nfs/dbraw/zinc/40/16/71/1331401671.db2.gz HLORQFOROXPGOD-LJQANCHMSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942101716 1331830060 /nfs/dbraw/zinc/83/00/60/1331830060.db2.gz SPVSKFBGGWRSFQ-WMLDXEAASA-N 2 0 349.544 3.050 20 0 EGADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258548 1331889687 /nfs/dbraw/zinc/88/96/87/1331889687.db2.gz PULGTHJNZAMLAP-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581349 1331988095 /nfs/dbraw/zinc/98/80/95/1331988095.db2.gz FNLKKLLRGLVSAC-DOTOQJQBSA-N 2 0 349.519 3.218 20 0 EGADRP C[C@H]1C[N@H+](CCC2CCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596787 1331995565 /nfs/dbraw/zinc/99/55/65/1331995565.db2.gz GFDYNXIEXYFIHA-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCCC3CCC3)C[C@@H]2C)CC1 ZINC000943757058 1332255354 /nfs/dbraw/zinc/25/53/54/1332255354.db2.gz ZYFSOTHFUXJFNH-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623891 1332865170 /nfs/dbraw/zinc/86/51/70/1332865170.db2.gz SDWZJTWEPUOLON-HSALFYBXSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631413 1332866467 /nfs/dbraw/zinc/86/64/67/1332866467.db2.gz GDMSKDLNVKEZCC-ZRNYENFQSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947474561 1333142459 /nfs/dbraw/zinc/14/24/59/1333142459.db2.gz VWOAYEUZLKWJTN-DOTOQJQBSA-N 2 0 342.487 3.272 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947493392 1333145848 /nfs/dbraw/zinc/14/58/48/1333145848.db2.gz RRLXWGCAAOLEEP-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552023 1333169046 /nfs/dbraw/zinc/16/90/46/1333169046.db2.gz QRSVTUIXXSSQEX-MAUKXSAKSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC000947615725 1333194077 /nfs/dbraw/zinc/19/40/77/1333194077.db2.gz KPBSAJOVWJULNH-IAGOWNOFSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC000947685294 1333223069 /nfs/dbraw/zinc/22/30/69/1333223069.db2.gz MJPOMWGFRAJPKM-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000947775573 1333257896 /nfs/dbraw/zinc/25/78/96/1333257896.db2.gz PFJGMIUGZBCYRT-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799572 1333264918 /nfs/dbraw/zinc/26/49/18/1333264918.db2.gz BMNCWIRARFHZAL-YLJYHZDGSA-N 2 0 345.531 3.377 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000947882115 1333290023 /nfs/dbraw/zinc/29/00/23/1333290023.db2.gz OEERCOLWLSZEQA-XLIONFOSSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881875 1333290122 /nfs/dbraw/zinc/29/01/22/1333290122.db2.gz KNCWPAWZUHMWEY-MJGOQNOKSA-N 2 0 335.536 3.042 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](CCC(C)C)CC1 ZINC001197477329 1368823365 /nfs/dbraw/zinc/82/33/65/1368823365.db2.gz HKVSPEQYNKJBCY-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948416306 1333516873 /nfs/dbraw/zinc/51/68/73/1333516873.db2.gz CMGOCOWPWXKNSI-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948416821 1333517238 /nfs/dbraw/zinc/51/72/38/1333517238.db2.gz QEPQSLHLKLGLKQ-QGZVFWFLSA-N 2 0 349.544 3.146 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473954 1333540167 /nfs/dbraw/zinc/54/01/67/1333540167.db2.gz NQQHVRPNZPCFFU-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948553670 1333572692 /nfs/dbraw/zinc/57/26/92/1333572692.db2.gz JYUSQDKCODDWDI-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948583219 1333584662 /nfs/dbraw/zinc/58/46/62/1333584662.db2.gz LKHIZYRPHOWDDY-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000948755816 1333663374 /nfs/dbraw/zinc/66/33/74/1333663374.db2.gz MHLOLSDVGZLESC-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC000948765863 1333668701 /nfs/dbraw/zinc/66/87/01/1333668701.db2.gz DKSULBOLKSAWGB-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948852368 1333710289 /nfs/dbraw/zinc/71/02/89/1333710289.db2.gz MDPCDOPGHLLQPO-IBGZPJMESA-N 2 0 331.504 3.083 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000948858643 1333711884 /nfs/dbraw/zinc/71/18/84/1333711884.db2.gz MZMAMTUAXWCKIT-WOJBJXKFSA-N 2 0 343.515 3.156 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C(=O)Cc2ncc[nH]2)CC1 ZINC000948886952 1333719349 /nfs/dbraw/zinc/71/93/49/1333719349.db2.gz UOAKXEVRCLLCLD-WMZOPIPTSA-N 2 0 340.471 3.026 20 0 EGADRP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000949824769 1333933981 /nfs/dbraw/zinc/93/39/81/1333933981.db2.gz OJPGMXAAESDKQX-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000950360349 1334049998 /nfs/dbraw/zinc/04/99/98/1334049998.db2.gz UIXSNLKTQFQKLW-VQIMIIECSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CCC2CCCCC2)C1 ZINC000950465701 1334076022 /nfs/dbraw/zinc/07/60/22/1334076022.db2.gz DAYLFFRMLPEJCI-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CCCC3CCC3)CC2)cc1 ZINC000951758642 1334311693 /nfs/dbraw/zinc/31/16/93/1334311693.db2.gz QWZWGAGCBKSHSY-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[NH+](CC[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000952394351 1334445868 /nfs/dbraw/zinc/44/58/68/1334445868.db2.gz YASWHWCSLRUELW-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967085477 1335658921 /nfs/dbraw/zinc/65/89/21/1335658921.db2.gz KOZVAAIWMKGRPY-BEFAXECRSA-N 2 0 340.471 3.049 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417287 1335924575 /nfs/dbraw/zinc/92/45/75/1335924575.db2.gz FEFRCHAHGGFDBC-FXAWDEMLSA-N 2 0 343.515 3.155 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968644574 1335995357 /nfs/dbraw/zinc/99/53/57/1335995357.db2.gz BNXNSASQBPNBKV-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)cs1 ZINC000968672552 1336004746 /nfs/dbraw/zinc/00/47/46/1336004746.db2.gz HNOVEARELNDXIV-QGZVFWFLSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672954 1336005450 /nfs/dbraw/zinc/00/54/50/1336005450.db2.gz HQDCOLFJDGMLBF-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936504 1336095611 /nfs/dbraw/zinc/09/56/11/1336095611.db2.gz JSQBHGOGXJVNKA-SFHVURJKSA-N 2 0 342.487 3.355 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990514 1336112422 /nfs/dbraw/zinc/11/24/22/1336112422.db2.gz FWQZTCQYFWHVHX-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969657240 1336233751 /nfs/dbraw/zinc/23/37/51/1336233751.db2.gz AQXWSPWTHLCGTQ-PXNSSMCTSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969795273 1336248690 /nfs/dbraw/zinc/24/86/90/1336248690.db2.gz DHLLYIOJRZAZHR-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](NC(=O)c1ccn2c[nH+]cc2c1)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000970061150 1336274825 /nfs/dbraw/zinc/27/48/25/1336274825.db2.gz WTBMZHDVJKNLKL-HZPDHXFCSA-N 2 0 348.450 3.146 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3ccccc3)C2)CC1 ZINC000970382334 1336301336 /nfs/dbraw/zinc/30/13/36/1336301336.db2.gz AGYMYOAQYIWDFD-YLJYHZDGSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503917 1336363625 /nfs/dbraw/zinc/36/36/25/1336363625.db2.gz LLEHRBHAGVUSOZ-LJQANCHMSA-N 2 0 337.552 3.218 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001006085870 1336450358 /nfs/dbraw/zinc/45/03/58/1336450358.db2.gz GCYCWMLRHWPNKP-ZWKOTPCHSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006437210 1336505847 /nfs/dbraw/zinc/50/58/47/1336505847.db2.gz APZCWQREAIJGME-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001006439575 1336506457 /nfs/dbraw/zinc/50/64/57/1336506457.db2.gz OTQKGQRBAWQOEN-BJMVGYQFSA-N 2 0 349.906 3.037 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006443484 1336507032 /nfs/dbraw/zinc/50/70/32/1336507032.db2.gz LYVSKMPEKUQCFM-QZTJIDSGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007500138 1336658555 /nfs/dbraw/zinc/65/85/55/1336658555.db2.gz QYXIUDFYJJJUKO-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001007723200 1336691172 /nfs/dbraw/zinc/69/11/72/1336691172.db2.gz OIGJRBNDNXQEDF-GOSISDBHSA-N 2 0 348.450 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC(CC)CC)C2)C1 ZINC001008276528 1336812154 /nfs/dbraw/zinc/81/21/54/1336812154.db2.gz MKOHZUZQYJJBAJ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001008769100 1336923919 /nfs/dbraw/zinc/92/39/19/1336923919.db2.gz OUJXRRBUFIDGPW-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001009637560 1337050548 /nfs/dbraw/zinc/05/05/48/1337050548.db2.gz PCMBOKLVMFGSBA-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001014707750 1337877646 /nfs/dbraw/zinc/87/76/46/1337877646.db2.gz UZVBRPBSMDJWEL-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014720295 1337882441 /nfs/dbraw/zinc/88/24/41/1337882441.db2.gz CRKFHIBQIOOEGQ-VQTJNVASSA-N 2 0 347.547 3.330 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001015596338 1338199842 /nfs/dbraw/zinc/19/98/42/1338199842.db2.gz AZJWIZLSUXDVFZ-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001015971812 1338384755 /nfs/dbraw/zinc/38/47/55/1338384755.db2.gz DPLJFLAQDBOCQG-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662562 1338683047 /nfs/dbraw/zinc/68/30/47/1338683047.db2.gz KRHMAYVYSYZDMT-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016830409 1338739916 /nfs/dbraw/zinc/73/99/16/1338739916.db2.gz SAIACOIHMFAAFF-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016860990 1338750673 /nfs/dbraw/zinc/75/06/73/1338750673.db2.gz MDYKFMDAURLPCW-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862345 1338751283 /nfs/dbraw/zinc/75/12/83/1338751283.db2.gz WMTGRLGOLZVCGQ-OALUTQOASA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016904776 1338764742 /nfs/dbraw/zinc/76/47/42/1338764742.db2.gz DDVJKAXHJHZIJX-IBGZPJMESA-N 2 0 347.547 3.044 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001017146759 1338896654 /nfs/dbraw/zinc/89/66/54/1338896654.db2.gz RHZHVDKIRVIOGU-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001017225409 1338965536 /nfs/dbraw/zinc/96/55/36/1338965536.db2.gz YMLVGDIBULCBAC-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(CC)CC)C1 ZINC001028088964 1340417532 /nfs/dbraw/zinc/41/75/32/1340417532.db2.gz RYABLWVLHAQRTF-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001028089362 1340418846 /nfs/dbraw/zinc/41/88/46/1340418846.db2.gz ZQHKJRAKQSZIJJ-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094391 1340422745 /nfs/dbraw/zinc/42/27/45/1340422745.db2.gz YPMLBNAOJFARBU-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001028181131 1340471326 /nfs/dbraw/zinc/47/13/26/1340471326.db2.gz OONHVBJMEBCFPZ-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC1 ZINC001028252367 1340512945 /nfs/dbraw/zinc/51/29/45/1340512945.db2.gz UZMBNHDUYQDQPQ-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343536 1340583229 /nfs/dbraw/zinc/58/32/29/1340583229.db2.gz PCBWHDJWMCUTAH-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001028844738 1340856026 /nfs/dbraw/zinc/85/60/26/1340856026.db2.gz BGIQOUFRURHMDJ-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001028918640 1340884126 /nfs/dbraw/zinc/88/41/26/1340884126.db2.gz KFBYIIBOGAIVCJ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029106580 1340931417 /nfs/dbraw/zinc/93/14/17/1340931417.db2.gz RFVZGHZMFZAPRI-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001029111331 1340932426 /nfs/dbraw/zinc/93/24/26/1340932426.db2.gz GGXQDMAQZFFWNL-QFBILLFUSA-N 2 0 335.536 3.044 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029163681 1340946144 /nfs/dbraw/zinc/94/61/44/1340946144.db2.gz AXQLGDRYNYGEIT-PKOBYXMFSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1)[NH+]1CCCCC1 ZINC001029172825 1340948524 /nfs/dbraw/zinc/94/85/24/1340948524.db2.gz GQTHAXXXGSLCBX-XLIONFOSSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001029737547 1341058924 /nfs/dbraw/zinc/05/89/24/1341058924.db2.gz LRDNDMJZGMSMLD-XBMUEBEBSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001029755114 1341064130 /nfs/dbraw/zinc/06/41/30/1341064130.db2.gz HZUPBYCOLAYRTD-AZUAARDMSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001029944661 1341130504 /nfs/dbraw/zinc/13/05/04/1341130504.db2.gz PAGJJXKDXSTIOJ-FXAWDEMLSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001030020913 1341159829 /nfs/dbraw/zinc/15/98/29/1341159829.db2.gz OQKZEWIWIOGDHU-AYOQOUSVSA-N 2 0 349.494 3.054 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001030020933 1341159838 /nfs/dbraw/zinc/15/98/38/1341159838.db2.gz YTBJXYDLLWDBBJ-JTDSTZFVSA-N 2 0 349.494 3.054 20 0 EGADRP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001030306090 1341177703 /nfs/dbraw/zinc/17/77/03/1341177703.db2.gz KATPQWZHURSHIY-QUCCMNQESA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CC3CCCCCC3)C2)c1 ZINC001031433873 1341341338 /nfs/dbraw/zinc/34/13/38/1341341338.db2.gz SUEHPUNJFHZXGR-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001032026631 1341441832 /nfs/dbraw/zinc/44/18/32/1341441832.db2.gz HFTRFDFJTXHYQQ-QLOJAFMTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001032205633 1341472892 /nfs/dbraw/zinc/47/28/92/1341472892.db2.gz DGMUHHOYAFGULJ-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032446166 1341512839 /nfs/dbraw/zinc/51/28/39/1341512839.db2.gz XNIONTWLZGBQFD-GBESFXJTSA-N 2 0 347.547 3.115 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033077925 1341717770 /nfs/dbraw/zinc/71/77/70/1341717770.db2.gz UFWIUJGWVNSLND-LJQANCHMSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081904 1341718052 /nfs/dbraw/zinc/71/80/52/1341718052.db2.gz NNNROGJQZJQULB-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033083064 1341719061 /nfs/dbraw/zinc/71/90/61/1341719061.db2.gz UGRRULSCBVLIKX-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033143541 1341738168 /nfs/dbraw/zinc/73/81/68/1341738168.db2.gz HMMOJCLSDQQFDK-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033355265 1341794743 /nfs/dbraw/zinc/79/47/43/1341794743.db2.gz WTPZSVONPWUPTL-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365531 1341797698 /nfs/dbraw/zinc/79/76/98/1341797698.db2.gz OQSBCLQAYSDSNL-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033466919 1341837688 /nfs/dbraw/zinc/83/76/88/1341837688.db2.gz JBGZEJOJZWPQEV-MJGOQNOKSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001033468412 1341838321 /nfs/dbraw/zinc/83/83/21/1341838321.db2.gz ZFWMFYDBEPMCAN-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033471579 1341839709 /nfs/dbraw/zinc/83/97/09/1341839709.db2.gz LLRIOUONCDYZOC-ROUUACIJSA-N 2 0 349.544 3.044 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033472641 1341840335 /nfs/dbraw/zinc/84/03/35/1341840335.db2.gz ZLEACGGHOHRXBN-RBUKOAKNSA-N 2 0 349.563 3.218 20 0 EGADRP CN(C(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033685555 1341950855 /nfs/dbraw/zinc/95/08/55/1341950855.db2.gz MXJRGMMWVTVWNL-SFHVURJKSA-N 2 0 345.531 3.331 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033826368 1342027903 /nfs/dbraw/zinc/02/79/03/1342027903.db2.gz OXQUXPNRLGXGSC-RBUKOAKNSA-N 2 0 337.552 3.218 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC001033988385 1342133048 /nfs/dbraw/zinc/13/30/48/1342133048.db2.gz DNVDIHGOKDIWLG-QFBILLFUSA-N 2 0 349.494 3.033 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459150 1356392965 /nfs/dbraw/zinc/39/29/65/1356392965.db2.gz ZUZJZYNLWAZHRP-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001034004451 1342142325 /nfs/dbraw/zinc/14/23/25/1342142325.db2.gz NLEYSBNGGSJWBY-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001034014893 1342152360 /nfs/dbraw/zinc/15/23/60/1342152360.db2.gz FUEJILVMYIKBCQ-HXUWFJFHSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034202737 1342312628 /nfs/dbraw/zinc/31/26/28/1342312628.db2.gz ANKSNTRSKHSTJM-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211454 1342321228 /nfs/dbraw/zinc/32/12/28/1342321228.db2.gz MXCOPDNBINHNQL-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034272090 1342362615 /nfs/dbraw/zinc/36/26/15/1342362615.db2.gz RFFNSTAYJKCQDM-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034332484 1342406983 /nfs/dbraw/zinc/40/69/83/1342406983.db2.gz ZNBPKZFIOPGCDK-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001034340002 1342413863 /nfs/dbraw/zinc/41/38/63/1342413863.db2.gz KUFNVVVFYRMSFT-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340823 1342414827 /nfs/dbraw/zinc/41/48/27/1342414827.db2.gz VVWHIPVYJHWART-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034367715 1342437386 /nfs/dbraw/zinc/43/73/86/1342437386.db2.gz HIEXWOOFNMSTDB-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)CC[N@@H+]1C ZINC001034371010 1342440700 /nfs/dbraw/zinc/44/07/00/1342440700.db2.gz PWVRJVWSJAVNDN-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034430955 1342492502 /nfs/dbraw/zinc/49/25/02/1342492502.db2.gz HZUWFQUVVKKWFE-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034430957 1342492636 /nfs/dbraw/zinc/49/26/36/1342492636.db2.gz HZUWFQUVVKKWFE-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034440017 1342501144 /nfs/dbraw/zinc/50/11/44/1342501144.db2.gz YIQYHGDKRVESOM-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444322 1342504157 /nfs/dbraw/zinc/50/41/57/1342504157.db2.gz FIAFRXOJQYCVPP-FQEVSTJZSA-N 2 0 343.515 3.299 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](C/C=C\Cl)C2)cc1 ZINC001034444729 1342505389 /nfs/dbraw/zinc/50/53/89/1342505389.db2.gz KNEKAOQDENXIIU-YYLWEKDPSA-N 2 0 349.906 3.085 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444962 1342505533 /nfs/dbraw/zinc/50/55/33/1342505533.db2.gz OCCWIFVAKUCQGJ-MOPGFXCFSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479354 1342536745 /nfs/dbraw/zinc/53/67/45/1342536745.db2.gz XFBNRVXZFBFNOA-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528301 1342584806 /nfs/dbraw/zinc/58/48/06/1342584806.db2.gz LWECASFZKNICNS-OALUTQOASA-N 2 0 343.515 3.123 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034537870 1342594816 /nfs/dbraw/zinc/59/48/16/1342594816.db2.gz GGDUBQGZAXDZMO-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001034610248 1342646782 /nfs/dbraw/zinc/64/67/82/1342646782.db2.gz KGPKOLNDQZXGJT-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001034663063 1342677102 /nfs/dbraw/zinc/67/71/02/1342677102.db2.gz PPHDXYMEHMAJBU-BJLQDIEVSA-N 2 0 347.547 3.211 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034712403 1342708694 /nfs/dbraw/zinc/70/86/94/1342708694.db2.gz WLARWOCJZZBWMC-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034716274 1342711363 /nfs/dbraw/zinc/71/13/63/1342711363.db2.gz VTPQKTMXPNLUSG-LNLFQRSKSA-N 2 0 335.536 3.209 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001034734481 1342729073 /nfs/dbraw/zinc/72/90/73/1342729073.db2.gz PIUFPJAECARHSM-DRRJLQACSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C(C)C)[NH+](C)C ZINC001034975335 1342861236 /nfs/dbraw/zinc/86/12/36/1342861236.db2.gz RDFXYCDULPQMBU-UYAOXDASSA-N 2 0 345.531 3.231 20 0 EGADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034995560 1342869162 /nfs/dbraw/zinc/86/91/62/1342869162.db2.gz XYEPNEFWYMMQSA-LJQANCHMSA-N 2 0 340.471 3.109 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035073588 1342912893 /nfs/dbraw/zinc/91/28/93/1342912893.db2.gz SOEUCFUJSRTUBZ-VQIMIIECSA-N 2 0 346.519 3.139 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001035133059 1342948922 /nfs/dbraw/zinc/94/89/22/1342948922.db2.gz IXXRQLCJLVEVMA-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(C[NH+](C(C)C)C3)CC2)o1 ZINC001035859539 1343235562 /nfs/dbraw/zinc/23/55/62/1343235562.db2.gz GVWGLQBOSYHMSG-UHFFFAOYSA-N 2 0 347.503 3.068 20 0 EGADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001036180550 1343349626 /nfs/dbraw/zinc/34/96/26/1343349626.db2.gz ULYITDWIFYJRNT-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820704 1343759135 /nfs/dbraw/zinc/75/91/35/1343759135.db2.gz NEXUYEYATCFJSN-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001037038094 1343942041 /nfs/dbraw/zinc/94/20/41/1343942041.db2.gz IDEPSGNQWQALHL-PKOBYXMFSA-N 2 0 340.471 3.013 20 0 EGADRP O=C(N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001037036264 1343942171 /nfs/dbraw/zinc/94/21/71/1343942171.db2.gz GDYRMCJEWSKDDR-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001037089264 1343973231 /nfs/dbraw/zinc/97/32/31/1343973231.db2.gz XKRBKIJUNUASNF-UXHICEINSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001037847413 1344135202 /nfs/dbraw/zinc/13/52/02/1344135202.db2.gz FCBPHUBUTGGMAV-RDJZCZTQSA-N 2 0 349.544 3.050 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC(C)C ZINC001037853357 1344139605 /nfs/dbraw/zinc/13/96/05/1344139605.db2.gz IJOQQBFSVWDHAI-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037923911 1344183637 /nfs/dbraw/zinc/18/36/37/1344183637.db2.gz GDCCAAKDNIEJAZ-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1[NH2+]C(C)C ZINC001037991992 1344224804 /nfs/dbraw/zinc/22/48/04/1344224804.db2.gz SLQBJBLMGQZHKV-FUHWJXTLSA-N 2 0 349.519 3.360 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038354598 1344395351 /nfs/dbraw/zinc/39/53/51/1344395351.db2.gz VMKDUSRAPJCPAY-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001038463705 1344434966 /nfs/dbraw/zinc/43/49/66/1344434966.db2.gz VKOKCGXYTKSSQP-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCC2)cc1 ZINC001038815805 1344594797 /nfs/dbraw/zinc/59/47/97/1344594797.db2.gz HEUCBJUPQMOAKD-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCCC2)CC1 ZINC001038865515 1344619356 /nfs/dbraw/zinc/61/93/56/1344619356.db2.gz VCWJNFZRMQCAOD-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131009 1344809756 /nfs/dbraw/zinc/80/97/56/1344809756.db2.gz DBJVTNQOGYQPJO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039150590 1344834224 /nfs/dbraw/zinc/83/42/24/1344834224.db2.gz ACHGWSIXFIPLNS-PMACEKPBSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205219 1344916034 /nfs/dbraw/zinc/91/60/34/1344916034.db2.gz NGXXMRJQDROKOP-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241850 1344967681 /nfs/dbraw/zinc/96/76/81/1344967681.db2.gz JMFNEQFOMBMLSR-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241851 1344967795 /nfs/dbraw/zinc/96/77/95/1344967795.db2.gz JMFNEQFOMBMLSR-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040205215 1345374889 /nfs/dbraw/zinc/37/48/89/1345374889.db2.gz OWYXHMGJUWLYCH-OAQYLSRUSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237005 1345389361 /nfs/dbraw/zinc/38/93/61/1345389361.db2.gz PXKSYUKKHJRFEY-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432246 1345494781 /nfs/dbraw/zinc/49/47/81/1345494781.db2.gz NLAMWOCROZDPRG-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040544607 1345538941 /nfs/dbraw/zinc/53/89/41/1345538941.db2.gz XNIXECCKWHGUER-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040544820 1345539039 /nfs/dbraw/zinc/53/90/39/1345539039.db2.gz KFHKZEKMZBOHBI-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040544821 1345539456 /nfs/dbraw/zinc/53/94/56/1345539456.db2.gz KFHKZEKMZBOHBI-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545930 1345540311 /nfs/dbraw/zinc/54/03/11/1345540311.db2.gz YUEJOUSYJPQQIA-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2)C1CCC1 ZINC001040730642 1345571777 /nfs/dbraw/zinc/57/17/77/1345571777.db2.gz YJSKUFVXRPVADY-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(C)C)CC3)C1 ZINC001040817134 1345581956 /nfs/dbraw/zinc/58/19/56/1345581956.db2.gz KXNUZHVWISOGGW-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040874939 1345592142 /nfs/dbraw/zinc/59/21/42/1345592142.db2.gz NDNBRDOHNWCZBG-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001040902559 1345597069 /nfs/dbraw/zinc/59/70/69/1345597069.db2.gz WBTJKWFYKMANQE-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275533 1345691586 /nfs/dbraw/zinc/69/15/86/1345691586.db2.gz DYNWEHCRHJUSHV-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424837 1345725619 /nfs/dbraw/zinc/72/56/19/1345725619.db2.gz PKXJTQFPIKQYOB-OAQYLSRUSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186113 1345973433 /nfs/dbraw/zinc/97/34/33/1345973433.db2.gz CZYNEAFHARWHNE-ROUUACIJSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186112 1345973563 /nfs/dbraw/zinc/97/35/63/1345973563.db2.gz CZYNEAFHARWHNE-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268256 1346013143 /nfs/dbraw/zinc/01/31/43/1346013143.db2.gz BMEBVPGWQUIADO-AZUAARDMSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001043198490 1346152421 /nfs/dbraw/zinc/15/24/21/1346152421.db2.gz RCJRALWFMUITMD-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001043601558 1346197491 /nfs/dbraw/zinc/19/74/91/1346197491.db2.gz DMLCZURTIDUMDD-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC001044184210 1346267758 /nfs/dbraw/zinc/26/77/58/1346267758.db2.gz XZVZWPVCCIGGLR-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044630355 1346387925 /nfs/dbraw/zinc/38/79/25/1346387925.db2.gz VURIZRPUFLZGAV-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044743012 1346418633 /nfs/dbraw/zinc/41/86/33/1346418633.db2.gz JTGRWQFHOCTFDE-AEFFLSMTSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767446 1346424522 /nfs/dbraw/zinc/42/45/22/1346424522.db2.gz OSTZMKQITJQAIE-LPHOPBHVSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858940 1346446895 /nfs/dbraw/zinc/44/68/95/1346446895.db2.gz XQGDGFICPQJWRZ-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045068769 1346489134 /nfs/dbraw/zinc/48/91/34/1346489134.db2.gz QBLAWKOHJCTMCZ-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001045099036 1346494836 /nfs/dbraw/zinc/49/48/36/1346494836.db2.gz BAFZTVKCSKGLEQ-TVPLGVNVSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045200666 1346529288 /nfs/dbraw/zinc/52/92/88/1346529288.db2.gz LCSVEUPBTODCPM-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCC3=CCCCC3)CC2)CC1 ZINC001045543824 1346624003 /nfs/dbraw/zinc/62/40/03/1346624003.db2.gz QCCXEHUJDIDPPR-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045584547 1346637205 /nfs/dbraw/zinc/63/72/05/1346637205.db2.gz GQPLIAASORDSDL-OALUTQOASA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001045797271 1346700532 /nfs/dbraw/zinc/70/05/32/1346700532.db2.gz YFIOCSJZVWQKSL-AABGKKOBSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001045847644 1346720140 /nfs/dbraw/zinc/72/01/40/1346720140.db2.gz LYQQWQSKOXBSJL-SXLOBPIMSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921181 1346758306 /nfs/dbraw/zinc/75/83/06/1346758306.db2.gz HDUGPRZMTJRUDE-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001045921611 1346758830 /nfs/dbraw/zinc/75/88/30/1346758830.db2.gz PJGTXOBQBKDKQJ-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045943905 1346779562 /nfs/dbraw/zinc/77/95/62/1346779562.db2.gz RGQAIZDURBOSRI-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045967540 1346801807 /nfs/dbraw/zinc/80/18/07/1346801807.db2.gz WYODUXZBQGENDS-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980167 1346817274 /nfs/dbraw/zinc/81/72/74/1346817274.db2.gz SFACSXHYPZFDDX-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001045985580 1346825944 /nfs/dbraw/zinc/82/59/44/1346825944.db2.gz XBLNKGOPLQLYOJ-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986120 1346827180 /nfs/dbraw/zinc/82/71/80/1346827180.db2.gz HJHISIYRVZARLH-OAQYLSRUSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001046316366 1346932337 /nfs/dbraw/zinc/93/23/37/1346932337.db2.gz PFILETUHEMVOKV-ICSRJNTNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+](CCCC2CCC2)C1 ZINC001046449471 1346977635 /nfs/dbraw/zinc/97/76/35/1346977635.db2.gz FIORAGCAOUFYLI-HXUWFJFHSA-N 2 0 340.471 3.109 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619001 1347040224 /nfs/dbraw/zinc/04/02/24/1347040224.db2.gz LMOSKCMGPWLXTA-LAUBAEHRSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2)[NH+]1CCCCC1 ZINC001047072980 1347201519 /nfs/dbraw/zinc/20/15/19/1347201519.db2.gz FMNBHSQUVOCVCR-FHWLQOOXSA-N 2 0 347.547 3.020 20 0 EGADRP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001047246619 1347271608 /nfs/dbraw/zinc/27/16/08/1347271608.db2.gz SVBQDWLYDLXKPP-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047887851 1347399651 /nfs/dbraw/zinc/39/96/51/1347399651.db2.gz CCHBYDCLCXULMD-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048070146 1347458736 /nfs/dbraw/zinc/45/87/36/1347458736.db2.gz ZKQBFKSHKSAZPP-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048480867 1347562223 /nfs/dbraw/zinc/56/22/23/1347562223.db2.gz WLJPEPMIUBADNO-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001048509788 1347572975 /nfs/dbraw/zinc/57/29/75/1347572975.db2.gz FRHTZQBTLSVIHA-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531396 1347580277 /nfs/dbraw/zinc/58/02/77/1347580277.db2.gz MWMSXVZRFOPTGK-RDGPPVDQSA-N 2 0 335.536 3.020 20 0 EGADRP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538459 1347583654 /nfs/dbraw/zinc/58/36/54/1347583654.db2.gz VMVDJKBMIAORBQ-IYWMVGAKSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820921 1347665103 /nfs/dbraw/zinc/66/51/03/1347665103.db2.gz TXRKQBLIIAIHRK-HDICACEKSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049526703 1347893272 /nfs/dbraw/zinc/89/32/72/1347893272.db2.gz WJWJSLJAUPEDNN-VAMGGRTRSA-N 2 0 347.547 3.281 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049537529 1347897516 /nfs/dbraw/zinc/89/75/16/1347897516.db2.gz RHZYLNOOXMTJPD-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049558818 1347908651 /nfs/dbraw/zinc/90/86/51/1347908651.db2.gz RWLVUBXOYGJFBV-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049638889 1347948350 /nfs/dbraw/zinc/94/83/50/1347948350.db2.gz NCBQRPOHSWOLLZ-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049655831 1347958387 /nfs/dbraw/zinc/95/83/87/1347958387.db2.gz RWLVUBXOYGJFBV-UFYCRDLUSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001049764534 1348009295 /nfs/dbraw/zinc/00/92/95/1348009295.db2.gz DFUVHMFUJVNMDX-YZGWKJHDSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(C)C ZINC001049837166 1348049978 /nfs/dbraw/zinc/04/99/78/1348049978.db2.gz OFBBZVANYNINQR-VAMGGRTRSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001050245301 1348217335 /nfs/dbraw/zinc/21/73/35/1348217335.db2.gz LTQXGQGNSYAJOP-IBGZPJMESA-N 2 0 331.504 3.016 20 0 EGADRP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001050265350 1348223242 /nfs/dbraw/zinc/22/32/42/1348223242.db2.gz MGNNTTIFQKTITP-HNNXBMFYSA-N 2 0 336.439 3.323 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001050359245 1348237637 /nfs/dbraw/zinc/23/76/37/1348237637.db2.gz RXOQGQSODZHCLS-NPFFOCMASA-N 2 0 349.563 3.027 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050691517 1348328721 /nfs/dbraw/zinc/32/87/21/1348328721.db2.gz YADINHCXDLZSIK-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050766588 1348352424 /nfs/dbraw/zinc/35/24/24/1348352424.db2.gz SDIKBRKAXYNQDW-QZTJIDSGSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001051348742 1348439500 /nfs/dbraw/zinc/43/95/00/1348439500.db2.gz TXADNSVWOWZGPY-QWFCFKBJSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001052394245 1348539064 /nfs/dbraw/zinc/53/90/64/1348539064.db2.gz CGXDKZIZVAIXGH-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515299 1348563970 /nfs/dbraw/zinc/56/39/70/1348563970.db2.gz CSZRPQITAQGNMS-RTBURBONSA-N 2 0 335.536 3.044 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001052562586 1348580122 /nfs/dbraw/zinc/58/01/22/1348580122.db2.gz VWLUWCVNFROOFT-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591648 1348588960 /nfs/dbraw/zinc/58/89/60/1348588960.db2.gz PYMYDUJQJKEPBR-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052713544 1348645881 /nfs/dbraw/zinc/64/58/81/1348645881.db2.gz ZQJJYDKWYNCXCQ-UYAOXDASSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052717078 1348646304 /nfs/dbraw/zinc/64/63/04/1348646304.db2.gz SJJFZARBRPQWTB-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)CC2)cc1 ZINC001052787653 1348679298 /nfs/dbraw/zinc/67/92/98/1348679298.db2.gz LIOVHZUIOTVLLM-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001052936226 1348755666 /nfs/dbraw/zinc/75/56/66/1348755666.db2.gz YXCUIEFVBOIXPN-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937883 1348756580 /nfs/dbraw/zinc/75/65/80/1348756580.db2.gz ONWXMNOLCQMIBK-MOPGFXCFSA-N 2 0 343.515 3.123 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)CC2)c1 ZINC001052954158 1348768085 /nfs/dbraw/zinc/76/80/85/1348768085.db2.gz LVDDZWQJIMYPCA-PRCIHIDRSA-N 2 0 349.906 3.085 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)CC2)c1 ZINC001052954132 1348768476 /nfs/dbraw/zinc/76/84/76/1348768476.db2.gz LKYLCRNJTJAARY-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001053029105 1348828218 /nfs/dbraw/zinc/82/82/18/1348828218.db2.gz YNQGTNNCPTXINN-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001053089534 1348915635 /nfs/dbraw/zinc/91/56/35/1348915635.db2.gz BSFNLYPINRPSBM-QFBILLFUSA-N 2 0 340.471 3.061 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187471 1349190994 /nfs/dbraw/zinc/19/09/94/1349190994.db2.gz SCDNNFKYTHIVTP-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1)[NH+](C)C ZINC001054199561 1349201413 /nfs/dbraw/zinc/20/14/13/1349201413.db2.gz ZNRJFMFEKZDGAQ-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209051 1349210718 /nfs/dbraw/zinc/21/07/18/1349210718.db2.gz HHWAKQMHFCMHHA-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001054226479 1349220445 /nfs/dbraw/zinc/22/04/45/1349220445.db2.gz QUXLZVTVANCLQF-FPOVZHCZSA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245280 1349238760 /nfs/dbraw/zinc/23/87/60/1349238760.db2.gz QKUXARJFWWWAOS-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270767 1349270350 /nfs/dbraw/zinc/27/03/50/1349270350.db2.gz ZZQRNKKYIXFNIB-HXUWFJFHSA-N 2 0 343.515 3.149 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC001054296785 1349301776 /nfs/dbraw/zinc/30/17/76/1349301776.db2.gz LHZIEOIPYZVZFD-ZTFGCOKTSA-N 2 0 349.906 3.076 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001054297528 1349301814 /nfs/dbraw/zinc/30/18/14/1349301814.db2.gz CMJFDAGLWVYFEC-AQNXPRMDSA-N 2 0 343.515 3.203 20 0 EGADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054736744 1349449893 /nfs/dbraw/zinc/44/98/93/1349449893.db2.gz NIKALGQVNRRJEX-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC001054968119 1349530761 /nfs/dbraw/zinc/53/07/61/1349530761.db2.gz CAIIWRRFYZBVLC-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554160 1357676969 /nfs/dbraw/zinc/67/69/69/1357676969.db2.gz DOYXQRQHJGYFBC-QWFCFKBJSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2=CCCCC2)C1 ZINC001183082075 1387259142 /nfs/dbraw/zinc/25/91/42/1387259142.db2.gz HACFGVFAEHFIBK-WIYYLYMNSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071508239 1354733435 /nfs/dbraw/zinc/73/34/35/1354733435.db2.gz LHCLWGFEYDJHMC-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001071627388 1354811437 /nfs/dbraw/zinc/81/14/37/1354811437.db2.gz FCFWAXQFXQJCCP-RHSMWYFYSA-N 2 0 340.471 3.026 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCC1=CCCCC1 ZINC001088818045 1360062696 /nfs/dbraw/zinc/06/26/96/1360062696.db2.gz SWNNNWMVQJDWOI-HNJRGHQBSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CC1CCCC1 ZINC001071682966 1354849445 /nfs/dbraw/zinc/84/94/45/1354849445.db2.gz VIHQVBUSBFZFHB-YJBOKZPZSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@@H+]1CCC(C)(C)C ZINC001071689196 1354851925 /nfs/dbraw/zinc/85/19/25/1354851925.db2.gz HLZWMAGVTUVIEL-NVXWUHKLSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCC1CCCC1 ZINC001071822487 1354962272 /nfs/dbraw/zinc/96/22/72/1354962272.db2.gz XSUHZMGOLXLDHV-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1CCCC1CCC1 ZINC001071871723 1354996919 /nfs/dbraw/zinc/99/69/19/1354996919.db2.gz JYAYAUNSHJSTFV-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873520 1354998508 /nfs/dbraw/zinc/99/85/08/1354998508.db2.gz YATNNPMWKOFOSS-LPHOPBHVSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165164 1387270866 /nfs/dbraw/zinc/27/08/66/1387270866.db2.gz QDQWRPKNECDTRP-BWPKTWLJSA-N 2 0 349.563 3.149 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001071919811 1355024771 /nfs/dbraw/zinc/02/47/71/1355024771.db2.gz IGADZJKBZJQZQW-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001072301474 1355228620 /nfs/dbraw/zinc/22/86/20/1355228620.db2.gz QVRZFKFZFANQKA-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)[NH+]1CCCCCC1 ZINC001073035727 1355563596 /nfs/dbraw/zinc/56/35/96/1355563596.db2.gz PVRLNNASBUNDGU-GOSISDBHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1)[NH+](C)C ZINC001074030121 1356043714 /nfs/dbraw/zinc/04/37/14/1356043714.db2.gz IJJUQGCAYXWGHF-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001074099798 1356083021 /nfs/dbraw/zinc/08/30/21/1356083021.db2.gz BRAVLTAKEKNBSI-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001074826026 1356256500 /nfs/dbraw/zinc/25/65/00/1356256500.db2.gz SWQWDQRPLMOFON-WDSOQIARSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C)c1ccccc1 ZINC001074853211 1356267639 /nfs/dbraw/zinc/26/76/39/1356267639.db2.gz OACGFHDARJCPGW-VDGAXYAQSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458914 1356392082 /nfs/dbraw/zinc/39/20/82/1356392082.db2.gz SPIKJFUIFYAPNV-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461625 1356395495 /nfs/dbraw/zinc/39/54/95/1356395495.db2.gz MXPPMKRGDXRORM-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183254789 1387285824 /nfs/dbraw/zinc/28/58/24/1387285824.db2.gz GAOPCUKWOBNRKC-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001183433414 1387308151 /nfs/dbraw/zinc/30/81/51/1387308151.db2.gz UZRWMNNKTXQNOP-WIYYLYMNSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082783319 1358092425 /nfs/dbraw/zinc/09/24/25/1358092425.db2.gz QUYVJXBUWLFUSA-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082861901 1358099899 /nfs/dbraw/zinc/09/98/99/1358099899.db2.gz RXZHKUPIFXKGDE-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001183509126 1387315397 /nfs/dbraw/zinc/31/53/97/1387315397.db2.gz AEGJBHLAIYUPFT-UQKJKQERSA-N 2 0 337.552 3.147 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517292 1387315972 /nfs/dbraw/zinc/31/59/72/1387315972.db2.gz YWTOAWSLSYZYMD-VWICVCDTSA-N 2 0 349.563 3.291 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)[NH+](C)C ZINC001084667475 1358272719 /nfs/dbraw/zinc/27/27/19/1358272719.db2.gz GPOISWQETCMZOZ-CEXWTWQISA-N 2 0 349.563 3.076 20 0 EGADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199320 1358432169 /nfs/dbraw/zinc/43/21/69/1358432169.db2.gz GKDJFDXEQGKSRQ-QXAKKESOSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001085201991 1358432196 /nfs/dbraw/zinc/43/21/96/1358432196.db2.gz JJGMDRUVBUMUHO-VBSBHUPXSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085224923 1358437887 /nfs/dbraw/zinc/43/78/87/1358437887.db2.gz ARVMLHMMIRDUHD-QRVBRYPASA-N 2 0 335.536 3.066 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001085275068 1358448835 /nfs/dbraw/zinc/44/88/35/1358448835.db2.gz MZWWNNAVKNRJKH-NRERDWFFSA-N 2 0 340.471 3.011 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCCC2)CC[N@@H+]1C ZINC001085603998 1358626906 /nfs/dbraw/zinc/62/69/06/1358626906.db2.gz UHTOPBOLCYPJIU-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085778938 1358753585 /nfs/dbraw/zinc/75/35/85/1358753585.db2.gz KMINZHQYFMRBJR-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085987740 1358939688 /nfs/dbraw/zinc/93/96/88/1358939688.db2.gz KQAIITWYUSVCMG-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001086122816 1359002875 /nfs/dbraw/zinc/00/28/75/1359002875.db2.gz ZECLESJSAFSQRG-RNQOJCNYSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086198668 1359025089 /nfs/dbraw/zinc/02/50/89/1359025089.db2.gz ASVRKZPHANJVDX-RSPOEFSDSA-N 2 0 349.563 3.029 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086402133 1359087744 /nfs/dbraw/zinc/08/77/44/1359087744.db2.gz IZIFATPUVXVUOD-MLYOOKFZSA-N 2 0 343.515 3.025 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001086701246 1359187871 /nfs/dbraw/zinc/18/78/71/1359187871.db2.gz LMEUGHBJVBGXQW-ZGXWSNOMSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001086850176 1359213497 /nfs/dbraw/zinc/21/34/97/1359213497.db2.gz ULERWSUDNDNGLE-IPMKNSEASA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086938518 1359260911 /nfs/dbraw/zinc/26/09/11/1359260911.db2.gz SLSYEAGHGMLALQ-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001086951999 1359272284 /nfs/dbraw/zinc/27/22/84/1359272284.db2.gz XEXPBQRFVMNFLW-SFHVURJKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958238 1359279434 /nfs/dbraw/zinc/27/94/34/1359279434.db2.gz JRCDFDNQPSIHMV-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001323555489 1387387564 /nfs/dbraw/zinc/38/75/64/1387387564.db2.gz RACWWJRMBCBIFT-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001087213924 1359322779 /nfs/dbraw/zinc/32/27/79/1359322779.db2.gz VAXUDEFMDSJNOB-HOJAQTOUSA-N 2 0 345.531 3.052 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087318427 1359409853 /nfs/dbraw/zinc/40/98/53/1359409853.db2.gz XRXFVEPWLSUNMA-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC(C)C ZINC001087572734 1359537522 /nfs/dbraw/zinc/53/75/22/1359537522.db2.gz DGMPIVGAMLUXLY-YSIASYRMSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCC1 ZINC001087749937 1359627464 /nfs/dbraw/zinc/62/74/64/1359627464.db2.gz JCNONTMGKIQWJT-VQTJNVASSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCC1CCCC1 ZINC001087799168 1359651270 /nfs/dbraw/zinc/65/12/70/1359651270.db2.gz GTQOLMVDSICSIH-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1Cc1ccccc1 ZINC001087840588 1359673849 /nfs/dbraw/zinc/67/38/49/1359673849.db2.gz DTSYJWUPLYHMDP-XUVXKRRUSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC001087840853 1359674556 /nfs/dbraw/zinc/67/45/56/1359674556.db2.gz QLSWGDSWGVWWRK-VQTJNVASSA-N 2 0 343.515 3.131 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001088327050 1359831541 /nfs/dbraw/zinc/83/15/41/1359831541.db2.gz FDEKQGNZEDRZKR-OALUTQOASA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001088367369 1359851730 /nfs/dbraw/zinc/85/17/30/1359851730.db2.gz IJYQKAGWQPIUJB-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001088373634 1359854932 /nfs/dbraw/zinc/85/49/32/1359854932.db2.gz JZQMHAMSVPHUTO-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088382619 1359865347 /nfs/dbraw/zinc/86/53/47/1359865347.db2.gz GZRVBMJUOXASGB-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001088382989 1359865485 /nfs/dbraw/zinc/86/54/85/1359865485.db2.gz RBVOTKDEBDAXTM-AEFFLSMTSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088577370 1359977845 /nfs/dbraw/zinc/97/78/45/1359977845.db2.gz QPCVAWJKZHDQLT-LFGUQSLTSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088604990 1359989142 /nfs/dbraw/zinc/98/91/42/1359989142.db2.gz BWDBPRHEYLNLQI-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088605157 1359989353 /nfs/dbraw/zinc/98/93/53/1359989353.db2.gz JEKJAVQZCGKFFC-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088692910 1360013314 /nfs/dbraw/zinc/01/33/14/1360013314.db2.gz CVAXNXOPFNISGO-HOJAQTOUSA-N 2 0 347.547 3.186 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001088899212 1360098892 /nfs/dbraw/zinc/09/88/92/1360098892.db2.gz RVJMRDSUJKOUPJ-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001089060808 1360152136 /nfs/dbraw/zinc/15/21/36/1360152136.db2.gz HRUFPHCIBXNGIP-YZGWKJHDSA-N 2 0 347.547 3.330 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCCC1)C1CCC1 ZINC001089186654 1360236819 /nfs/dbraw/zinc/23/68/19/1360236819.db2.gz LTUVYKZQCMTXLW-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001089191946 1360240747 /nfs/dbraw/zinc/24/07/47/1360240747.db2.gz JAGUTQMHRGUIRR-RBUKOAKNSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC001089192255 1360240944 /nfs/dbraw/zinc/24/09/44/1360240944.db2.gz RRZCJKKMZLRVPR-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001089227399 1360268897 /nfs/dbraw/zinc/26/88/97/1360268897.db2.gz SXVUXPJNIWKAOA-MJGOQNOKSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334877 1360347725 /nfs/dbraw/zinc/34/77/25/1360347725.db2.gz KYICBGBLSKWIGN-QZTJIDSGSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385418 1360386922 /nfs/dbraw/zinc/38/69/22/1360386922.db2.gz IEZLVKUBZZQQMC-QGZVFWFLSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001184411599 1387452508 /nfs/dbraw/zinc/45/25/08/1387452508.db2.gz FJKHVPGGJJWLPZ-RBUKOAKNSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089401815 1360401091 /nfs/dbraw/zinc/40/10/91/1360401091.db2.gz XTAZSBNFTQNBSR-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089539327 1360497601 /nfs/dbraw/zinc/49/76/01/1360497601.db2.gz LBOVVNAUBRNXHI-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639270 1360552928 /nfs/dbraw/zinc/55/29/28/1360552928.db2.gz RZQLOXZIEAJQRQ-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089647299 1360560116 /nfs/dbraw/zinc/56/01/16/1360560116.db2.gz UXRJWZHWYJWUPN-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089657116 1360569233 /nfs/dbraw/zinc/56/92/33/1360569233.db2.gz SHTKCDIDYWPVQR-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089663857 1360574117 /nfs/dbraw/zinc/57/41/17/1360574117.db2.gz AEHFCZFFQOGQRQ-QGZVFWFLSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091112152 1360993888 /nfs/dbraw/zinc/99/38/88/1360993888.db2.gz JPWCVZWCSMDZIG-KVZIAJEVSA-N 2 0 349.563 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001091198410 1361004473 /nfs/dbraw/zinc/00/44/73/1361004473.db2.gz GCIIJRJBQPLHQX-IOJLRTSASA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184577434 1387496671 /nfs/dbraw/zinc/49/66/71/1387496671.db2.gz MNTBWIWSUMQWMQ-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184578080 1387497383 /nfs/dbraw/zinc/49/73/83/1387497383.db2.gz QPNMLEDBQSRQQV-RJCMGOLDSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001323992439 1387505630 /nfs/dbraw/zinc/50/56/30/1387505630.db2.gz SQILBVITOHYVOW-INIZCTEOSA-N 2 0 335.561 3.448 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(C)C)C[C@@]2(C)C1 ZINC001092191328 1361319212 /nfs/dbraw/zinc/31/92/12/1361319212.db2.gz PXMZWMKTAQKGAB-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001324075256 1387530121 /nfs/dbraw/zinc/53/01/21/1387530121.db2.gz PVRATYIRUWLHGF-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001324081726 1387533630 /nfs/dbraw/zinc/53/36/30/1387533630.db2.gz PPTOVTWNCFMTNJ-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416515 1361791899 /nfs/dbraw/zinc/79/18/99/1361791899.db2.gz XFXOGTVUKRDBAY-FBBABVLZSA-N 2 0 347.547 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094585420 1361871615 /nfs/dbraw/zinc/87/16/15/1361871615.db2.gz VTCKPGHIDUHPQL-SFHLNBCPSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184892957 1387557411 /nfs/dbraw/zinc/55/74/11/1387557411.db2.gz SWHMAGJBXZTURG-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184891869 1387556725 /nfs/dbraw/zinc/55/67/25/1387556725.db2.gz KEXLCZMXWHWQGH-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001095904035 1362280078 /nfs/dbraw/zinc/28/00/78/1362280078.db2.gz XNEOPRLJWPQQJR-RDGPPVDQSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001324263418 1387573847 /nfs/dbraw/zinc/57/38/47/1387573847.db2.gz LKPBHIXUZYKLJI-IBGZPJMESA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605253 1362593986 /nfs/dbraw/zinc/59/39/86/1362593986.db2.gz GORQHNXWKIUWQJ-HOJAQTOUSA-N 2 0 343.515 3.129 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001185032173 1387591908 /nfs/dbraw/zinc/59/19/08/1387591908.db2.gz UIHMHUXBXSEWDG-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001098464291 1363333226 /nfs/dbraw/zinc/33/32/26/1363333226.db2.gz VHBFEFPLGCOHSD-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[C@@H]([NH2+]CC)C2CCCC2)C1 ZINC001098822204 1363482657 /nfs/dbraw/zinc/48/26/57/1363482657.db2.gz XFFFNDYSGWQIEW-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC=C(C)C)C3)C1 ZINC001098990932 1363560561 /nfs/dbraw/zinc/56/05/61/1363560561.db2.gz JZENEFJJORLIPG-ZJOUEHCJSA-N 2 0 347.547 3.045 20 0 EGADRP CC1CC(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001099106751 1363625417 /nfs/dbraw/zinc/62/54/17/1363625417.db2.gz NLKJYTLQPWRXCT-ABHNRTSZSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111142 1363628497 /nfs/dbraw/zinc/62/84/97/1363628497.db2.gz SEINFRSGBHRIBL-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001099131227 1363643613 /nfs/dbraw/zinc/64/36/13/1363643613.db2.gz YKMXTVSSAYPDNN-QGZVFWFLSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001099153367 1363659381 /nfs/dbraw/zinc/65/93/81/1363659381.db2.gz IZJWNGXLIKPXFW-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)C1(CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CC2)CCCC1 ZINC001099154218 1363660485 /nfs/dbraw/zinc/66/04/85/1363660485.db2.gz USZPOQJQKJLQEN-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC2(CCC2)C1 ZINC001099213322 1363694310 /nfs/dbraw/zinc/69/43/10/1363694310.db2.gz CDDGUEKOSNGSDL-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225436 1363701358 /nfs/dbraw/zinc/70/13/58/1363701358.db2.gz VFMRNLLMFVDRSM-QZTJIDSGSA-N 2 0 339.568 3.226 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099240518 1363709025 /nfs/dbraw/zinc/70/90/25/1363709025.db2.gz RYBBZDWCJJKHFM-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099276096 1363727150 /nfs/dbraw/zinc/72/71/50/1363727150.db2.gz NGJHGINIPCKYBR-LJQANCHMSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099310403 1363743252 /nfs/dbraw/zinc/74/32/52/1363743252.db2.gz LCGQCCCLZSDXIF-XFHJGTJQSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310645 1363743979 /nfs/dbraw/zinc/74/39/79/1363743979.db2.gz RTYMUMFMDMFGFL-SJORKVTESA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340542 1363760917 /nfs/dbraw/zinc/76/09/17/1363760917.db2.gz UVFZHYIPMYZPSN-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099495761 1363820172 /nfs/dbraw/zinc/82/01/72/1363820172.db2.gz CKBQBUQVTHWSKQ-MANSERQUSA-N 2 0 349.563 3.076 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405650 1364103563 /nfs/dbraw/zinc/10/35/63/1364103563.db2.gz HDQAAPDMICMGIZ-LCLVVQIFSA-N 2 0 347.547 3.234 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001100438215 1364114324 /nfs/dbraw/zinc/11/43/24/1364114324.db2.gz VNTINFKWLKNTKN-PLNGDYQASA-N 2 0 347.547 3.093 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471262 1364126894 /nfs/dbraw/zinc/12/68/94/1364126894.db2.gz WLVKZRDZQQFIHV-KFYHWWINSA-N 2 0 349.563 3.338 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599316 1364183229 /nfs/dbraw/zinc/18/32/29/1364183229.db2.gz RNECFZQDXVVIJD-XBMUEBEBSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001324545619 1387666015 /nfs/dbraw/zinc/66/60/15/1387666015.db2.gz RKFVSXPRHPFCSN-SXLOBPIMSA-N 2 0 343.515 3.155 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001100898590 1364320621 /nfs/dbraw/zinc/32/06/21/1364320621.db2.gz OWZXWTURETVKEE-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001101037162 1364383837 /nfs/dbraw/zinc/38/38/37/1364383837.db2.gz BLOGKQPOGXLQNF-XUJQIHCRSA-N 2 0 349.494 3.101 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272604 1364494314 /nfs/dbraw/zinc/49/43/14/1364494314.db2.gz UDPAJDLTVKJOIU-HACYPSOKSA-N 2 0 349.563 3.099 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101345071 1364519689 /nfs/dbraw/zinc/51/96/89/1364519689.db2.gz RVNNUONUSBFVCD-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101443562 1364567538 /nfs/dbraw/zinc/56/75/38/1364567538.db2.gz KTEVPYXNAARIEX-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001101551550 1364614667 /nfs/dbraw/zinc/61/46/67/1364614667.db2.gz PWOYRRQCXXRBOL-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001101558674 1364618632 /nfs/dbraw/zinc/61/86/32/1364618632.db2.gz AUGMPVXSVXTJEN-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001101574732 1364628898 /nfs/dbraw/zinc/62/88/98/1364628898.db2.gz BDWMYECTOMRAKJ-IEBWSBKVSA-N 2 0 349.563 3.005 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185357960 1387691437 /nfs/dbraw/zinc/69/14/37/1387691437.db2.gz GUANOOKZUBXCSQ-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)(C[NH2+]CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001101596205 1364646657 /nfs/dbraw/zinc/64/66/57/1364646657.db2.gz NMCWVIMWPQQOCS-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101596304 1364647228 /nfs/dbraw/zinc/64/72/28/1364647228.db2.gz RTACKCQGURAYGC-IAGOWNOFSA-N 2 0 349.563 3.124 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@](C)(NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001324618588 1387702010 /nfs/dbraw/zinc/70/20/10/1387702010.db2.gz BJJWAWOVXHTDLR-UWJYYQICSA-N 2 0 343.515 3.121 20 0 EGADRP CCCCCC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102152328 1364894402 /nfs/dbraw/zinc/89/44/02/1364894402.db2.gz YWBKRQAGBBPNAS-SJLPKXTDSA-N 2 0 342.487 3.212 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C)C(C)C ZINC001102472329 1365074790 /nfs/dbraw/zinc/07/47/90/1365074790.db2.gz WEHZICOUNXMWLA-GUDVDZBRSA-N 2 0 337.552 3.003 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520764 1365096874 /nfs/dbraw/zinc/09/68/74/1365096874.db2.gz ZJGKJABJDNNGLI-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103669 1365381935 /nfs/dbraw/zinc/38/19/35/1365381935.db2.gz RVZSLKHKAJFAJF-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103147840 1365409536 /nfs/dbraw/zinc/40/95/36/1365409536.db2.gz CCZUQUUTBJIYAL-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156468 1365414294 /nfs/dbraw/zinc/41/42/94/1365414294.db2.gz FMPWZXVVDOKJSK-ZWHYWQQASA-N 2 0 337.552 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185783 1365425205 /nfs/dbraw/zinc/42/52/05/1365425205.db2.gz PZHCQMDDBDDQKN-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(CC)CC)[C@@H](C)C1 ZINC001185547455 1387745079 /nfs/dbraw/zinc/74/50/79/1387745079.db2.gz HKJSKLXJXIDIQZ-HKUYNNGSSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398205 1365535750 /nfs/dbraw/zinc/53/57/50/1365535750.db2.gz HPLPFRYRZJBWAK-CEXWTWQISA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495429 1365597375 /nfs/dbraw/zinc/59/73/75/1365597375.db2.gz CALSPXBVUQXHCG-VAMGGRTRSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644658 1365698102 /nfs/dbraw/zinc/69/81/02/1365698102.db2.gz KEYIXFUHFGKWPV-VMASUYHGSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001185600309 1387759124 /nfs/dbraw/zinc/75/91/24/1387759124.db2.gz PEQDXALYAKWXAH-WOJBJXKFSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185609034 1387760415 /nfs/dbraw/zinc/76/04/15/1387760415.db2.gz BMLHOYVSBVISLQ-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751556 1365764097 /nfs/dbraw/zinc/76/40/97/1365764097.db2.gz GJDVEMHATFOYFY-TZFVZSICSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CCNC(=O)CCCC[NH+]1CCCC1 ZINC001103773805 1365777434 /nfs/dbraw/zinc/77/74/34/1365777434.db2.gz RUUFKRDKEDYJPD-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001185675862 1387775546 /nfs/dbraw/zinc/77/55/46/1387775546.db2.gz ABVHDTORZSUAOD-HXUWFJFHSA-N 2 0 345.531 3.175 20 0 EGADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001185682649 1387777044 /nfs/dbraw/zinc/77/70/44/1387777044.db2.gz SDMIFAYRKZYZEP-AZUAARDMSA-N 2 0 347.547 3.047 20 0 EGADRP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294195 1365978323 /nfs/dbraw/zinc/97/83/23/1365978323.db2.gz BTBHQZUCWDOYKY-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185740198 1387787380 /nfs/dbraw/zinc/78/73/80/1387787380.db2.gz BGIPJMRLFMIMSS-UNQUKWGNSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396203 1366444512 /nfs/dbraw/zinc/44/45/12/1366444512.db2.gz JLFRKZSNNXYTTL-XLIONFOSSA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCC1 ZINC001105549843 1366525530 /nfs/dbraw/zinc/52/55/30/1366525530.db2.gz WHUDVPJODJHOMW-MOPGFXCFSA-N 2 0 347.547 3.022 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCC1 ZINC001105549846 1366525704 /nfs/dbraw/zinc/52/57/04/1366525704.db2.gz WHUDVPJODJHOMW-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556784 1366529530 /nfs/dbraw/zinc/52/95/30/1366529530.db2.gz PIWHNPMISTYIQM-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561182 1366531207 /nfs/dbraw/zinc/53/12/07/1366531207.db2.gz IQQFJENEJKPWGZ-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105575437 1366540514 /nfs/dbraw/zinc/54/05/14/1366540514.db2.gz ZEAVJNMXNFYFBF-MOPGFXCFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105575264 1366540697 /nfs/dbraw/zinc/54/06/97/1366540697.db2.gz WUDXTMJEGSXFFM-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106274578 1366640624 /nfs/dbraw/zinc/64/06/24/1366640624.db2.gz LPRLKJFRXIKSKJ-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660498 1366768002 /nfs/dbraw/zinc/76/80/02/1366768002.db2.gz PJRBANKFTQETEN-GUDVDZBRSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765660 1366792163 /nfs/dbraw/zinc/79/21/63/1366792163.db2.gz NZERLNCHCFSRPG-YLJYHZDGSA-N 2 0 345.531 3.236 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765737 1366792359 /nfs/dbraw/zinc/79/23/59/1366792359.db2.gz QPXZEYPKHYHZIF-MBOZVWFJSA-N 2 0 345.531 3.092 20 0 EGADRP CC1CCC(C[N@@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)CC1 ZINC001107530893 1367023473 /nfs/dbraw/zinc/02/34/73/1367023473.db2.gz RFFLVCIRXATGCV-SDVBZNEUSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546406 1367037504 /nfs/dbraw/zinc/03/75/04/1367037504.db2.gz BLQXCXWOSQMJAI-YFVAEKQCSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107597295 1367065448 /nfs/dbraw/zinc/06/54/48/1367065448.db2.gz ZAFRWOIFXJCQPO-UYAOXDASSA-N 2 0 337.552 3.269 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001107614052 1367072614 /nfs/dbraw/zinc/07/26/14/1367072614.db2.gz NOCJSYSYBZTHSK-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001107618431 1367076198 /nfs/dbraw/zinc/07/61/98/1367076198.db2.gz DWZBDIGCNQXMCU-NRSPTQNISA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001109465177 1367138998 /nfs/dbraw/zinc/13/89/98/1367138998.db2.gz POZYOSQIBRUTRQ-SQNIBIBYSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560845 1367198475 /nfs/dbraw/zinc/19/84/75/1367198475.db2.gz URDLVOLPYTZIOC-RDGPPVDQSA-N 2 0 349.563 3.266 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589773 1367214967 /nfs/dbraw/zinc/21/49/67/1367214967.db2.gz DLEKQDOYULPUQS-CXLYAGSJSA-N 2 0 347.547 3.329 20 0 EGADRP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635584 1367255191 /nfs/dbraw/zinc/25/51/91/1367255191.db2.gz JNDSDZTZMQKPHI-DIYYGHKSSA-N 2 0 347.547 3.186 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)CC1 ZINC001109650147 1367263579 /nfs/dbraw/zinc/26/35/79/1367263579.db2.gz VMGWBIBKKUALOL-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190442870 1367266052 /nfs/dbraw/zinc/26/60/52/1367266052.db2.gz BYOXZGIGSPOENM-LXXRFIIISA-N 2 0 349.544 3.312 20 0 EGADRP C[C@H](c1ccccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672424 1367274784 /nfs/dbraw/zinc/27/47/84/1367274784.db2.gz DVUZJMRSKZKEMV-KNCCTNLNSA-N 2 0 349.906 3.074 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714759 1367291308 /nfs/dbraw/zinc/29/13/08/1367291308.db2.gz VJRDJWHQJJKHMR-XWSJACJDSA-N 2 0 337.552 3.265 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1)CC(C)(C)C ZINC001109729146 1367294284 /nfs/dbraw/zinc/29/42/84/1367294284.db2.gz WNOJSNZUWIJJPK-QYZOEREBSA-N 2 0 349.563 3.266 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796813 1367327644 /nfs/dbraw/zinc/32/76/44/1367327644.db2.gz GOKZPCBWIXIVLW-PNCFCEPOSA-N 2 0 347.547 3.329 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001109968944 1367434928 /nfs/dbraw/zinc/43/49/28/1367434928.db2.gz JPWWERYSIYTGQY-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110007010 1367455519 /nfs/dbraw/zinc/45/55/19/1367455519.db2.gz DIQRGEPBKMXRSI-SQNIBIBYSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543784 1367525460 /nfs/dbraw/zinc/52/54/60/1367525460.db2.gz SKOPKXHGOGHLPB-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C(C)C)C3)c1 ZINC001110157488 1367529564 /nfs/dbraw/zinc/52/95/64/1367529564.db2.gz REXOAOIRQGQISN-RNQOJCNYSA-N 2 0 343.515 3.118 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161409 1367534405 /nfs/dbraw/zinc/53/44/05/1367534405.db2.gz DJBSZMXBFCDJGD-FUMNGEBKSA-N 2 0 349.563 3.409 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161775 1367534429 /nfs/dbraw/zinc/53/44/29/1367534429.db2.gz SJZDWBYJWHBFHQ-FUMNGEBKSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001110161904 1367534716 /nfs/dbraw/zinc/53/47/16/1367534716.db2.gz XXMCUMNRTJBGET-FYQPLNBISA-N 2 0 347.547 3.019 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717153 1367554004 /nfs/dbraw/zinc/55/40/04/1367554004.db2.gz BQGLMMWDCAPXSB-DFPOMVNJSA-N 2 0 349.563 3.432 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784715 1367594647 /nfs/dbraw/zinc/59/46/47/1367594647.db2.gz YNMXMTKHHVBMGP-FIPRUFKKSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803678 1367606212 /nfs/dbraw/zinc/60/62/12/1367606212.db2.gz FVQZEIMZUCZSGX-COLAKMGYSA-N 2 0 349.563 3.434 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823442 1367619973 /nfs/dbraw/zinc/61/99/73/1367619973.db2.gz NAJIVLUPISLRAW-FHWLQOOXSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108827795 1367623092 /nfs/dbraw/zinc/62/30/92/1367623092.db2.gz BIUQKHPMYMUGDX-FHWLQOOXSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828652 1367624065 /nfs/dbraw/zinc/62/40/65/1367624065.db2.gz XKWRTQRSPCBSMT-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001191922824 1367639461 /nfs/dbraw/zinc/63/94/61/1367639461.db2.gz OPQACRJPRZEZMG-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989331 1367658467 /nfs/dbraw/zinc/65/84/67/1367658467.db2.gz TVNWVZCCOPUBBA-KRWDZBQOSA-N 2 0 335.492 3.068 20 0 EGADRP C[NH+](CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407290 1367774593 /nfs/dbraw/zinc/77/45/93/1367774593.db2.gz TZZBWFBWIFBLMX-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406564 1367774972 /nfs/dbraw/zinc/77/49/72/1367774972.db2.gz JWXMPFUJWOYBLU-QGZVFWFLSA-N 2 0 339.568 3.323 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110550406 1367826587 /nfs/dbraw/zinc/82/65/87/1367826587.db2.gz OZYRVYPNMSWUOD-AKHDSKFASA-N 2 0 335.536 3.017 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001192671601 1367846061 /nfs/dbraw/zinc/84/60/61/1367846061.db2.gz OEJKIQLPHBQAFO-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846814 1367886268 /nfs/dbraw/zinc/88/62/68/1367886268.db2.gz PSIOXUCJVQRSCO-ROUKRRSUSA-N 2 0 343.515 3.251 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C[C@H](C)CC)C1 ZINC001192904484 1367900251 /nfs/dbraw/zinc/90/02/51/1367900251.db2.gz AGGKDQRLQSHFTA-MSOLQXFVSA-N 2 0 325.541 3.077 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110661594 1367903600 /nfs/dbraw/zinc/90/36/00/1367903600.db2.gz ZMAQAPRFWAKRRK-DTGBZTBESA-N 2 0 347.547 3.327 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1)C1CCC1 ZINC001110673907 1367913759 /nfs/dbraw/zinc/91/37/59/1367913759.db2.gz YMPLRBBJCLQUPC-AQNXPRMDSA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424776 1368026791 /nfs/dbraw/zinc/02/67/91/1368026791.db2.gz PANSZXRUITVANR-PMACEKPBSA-N 2 0 345.531 3.258 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885986 1368059333 /nfs/dbraw/zinc/05/93/33/1368059333.db2.gz GVCJDYPOUCPJHP-MKXGPGLRSA-N 2 0 349.563 3.265 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C)[NH+](CC)CC ZINC001111018157 1368143683 /nfs/dbraw/zinc/14/36/83/1368143683.db2.gz LKGYZOMYKIWPKK-YRXWBPOGSA-N 2 0 337.552 3.265 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097173 1368158573 /nfs/dbraw/zinc/15/85/73/1368158573.db2.gz NUHSNZQGSKPUIW-MKXGPGLRSA-N 2 0 335.536 3.163 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001111169522 1368180099 /nfs/dbraw/zinc/18/00/99/1368180099.db2.gz XHSBQDMMWYXJHR-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226883 1368212158 /nfs/dbraw/zinc/21/21/58/1368212158.db2.gz HPHHCZZCKMRZJQ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001194245753 1368216176 /nfs/dbraw/zinc/21/61/76/1368216176.db2.gz DQJABJSGNIAPFD-SFHVURJKSA-N 2 0 345.531 3.331 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245732 1368216598 /nfs/dbraw/zinc/21/65/98/1368216598.db2.gz CYSMEJFUNNHNDQ-IBGZPJMESA-N 2 0 345.531 3.331 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001194284809 1368224037 /nfs/dbraw/zinc/22/40/37/1368224037.db2.gz OFDIZCYEKSPFGW-HXUWFJFHSA-N 2 0 345.531 3.012 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296229 1368225493 /nfs/dbraw/zinc/22/54/93/1368225493.db2.gz YRACARQBAZDBCJ-MOPGFXCFSA-N 2 0 331.504 3.011 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298608 1368258396 /nfs/dbraw/zinc/25/83/96/1368258396.db2.gz HFSKLVZQNHPMPM-RTUSNTFBSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454032 1368309640 /nfs/dbraw/zinc/30/96/40/1368309640.db2.gz IHMJQZWTVZMIHM-NMLBUPMWSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001111466446 1368312288 /nfs/dbraw/zinc/31/22/88/1368312288.db2.gz WCHCWDUWGNQOFN-QRVBRYPASA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467715 1368313653 /nfs/dbraw/zinc/31/36/53/1368313653.db2.gz SRJSFJJWLMULSU-ZRNYENFQSA-N 2 0 349.563 3.265 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1=CCCCC1)C2 ZINC001111858328 1368509194 /nfs/dbraw/zinc/50/91/94/1368509194.db2.gz ZUGXMSGWKLKMEL-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873054 1368519963 /nfs/dbraw/zinc/51/99/63/1368519963.db2.gz HLOUXHQDJOORPQ-OGBOZSPHSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001111908833 1368549388 /nfs/dbraw/zinc/54/93/88/1368549388.db2.gz TVYDPNNZUMNZHG-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908860 1368550021 /nfs/dbraw/zinc/55/00/21/1368550021.db2.gz VNHCNUSNMXIRFV-CXFSXTNSSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163666 1368559689 /nfs/dbraw/zinc/55/96/89/1368559689.db2.gz RJPAPBFNGGZEAO-XQQSMPNESA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)CC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641735 1368654105 /nfs/dbraw/zinc/65/41/05/1368654105.db2.gz NPOSXGBEGRFPGM-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197142296 1368753250 /nfs/dbraw/zinc/75/32/50/1368753250.db2.gz WMNQQMMXSYHVCE-VYENPZKTSA-N 2 0 337.552 3.388 20 0 EGADRP CC[C@H](C(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001197141593 1368753682 /nfs/dbraw/zinc/75/36/82/1368753682.db2.gz JUADPFRHWAYDMR-UYAOXDASSA-N 2 0 345.531 3.402 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001197659191 1368866559 /nfs/dbraw/zinc/86/65/59/1368866559.db2.gz KMDMFWFXSALJHS-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001197691360 1368873479 /nfs/dbraw/zinc/87/34/79/1368873479.db2.gz HBDAZUJIFXDVKW-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197707864 1368877124 /nfs/dbraw/zinc/87/71/24/1368877124.db2.gz POBRCIKNHNZQCH-LJQANCHMSA-N 2 0 349.494 3.153 20 0 EGADRP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001112493082 1368889745 /nfs/dbraw/zinc/88/97/45/1368889745.db2.gz NVBNGAZGUIQVPO-RXVVDRJESA-N 2 0 349.563 3.269 20 0 EGADRP CC1CCC(C[N@@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001197886435 1368920024 /nfs/dbraw/zinc/92/00/24/1368920024.db2.gz VIKOJCKJLLIQRZ-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001186604753 1387983656 /nfs/dbraw/zinc/98/36/56/1387983656.db2.gz HTWIJVOUMAZNDM-SFHVURJKSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001200095910 1369315048 /nfs/dbraw/zinc/31/50/48/1369315048.db2.gz PBBMXARQFZSSGH-FQEVSTJZSA-N 2 0 348.494 3.297 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc4ccccc4s3)C2)CC1 ZINC001200346677 1369351945 /nfs/dbraw/zinc/35/19/45/1369351945.db2.gz QPZLPWOCVHYBNA-MRXNPFEDSA-N 2 0 329.513 3.159 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577608 1369393161 /nfs/dbraw/zinc/39/31/61/1369393161.db2.gz BGWHBLMCQRCQSV-ZWKOTPCHSA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053434 1369473113 /nfs/dbraw/zinc/47/31/13/1369473113.db2.gz OYJURCVIXMYXLH-YADGQWAMSA-N 2 0 347.547 3.330 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH+]2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001113561608 1369494764 /nfs/dbraw/zinc/49/47/64/1369494764.db2.gz JGLTUVFMRYMICI-IBGZPJMESA-N 2 0 345.531 3.241 20 0 EGADRP CC1CCC(C[NH+]2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)CC1 ZINC001113642925 1369540191 /nfs/dbraw/zinc/54/01/91/1369540191.db2.gz QFQZUHCTKUTXLG-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC/C=C/CC[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113642797 1369540368 /nfs/dbraw/zinc/54/03/68/1369540368.db2.gz KFRJVBVNUPQJLC-SNAWJCMRSA-N 2 0 335.536 3.143 20 0 EGADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](C)CCC=C(C)C)CC[C@@H]2C1 ZINC001201487133 1369554721 /nfs/dbraw/zinc/55/47/21/1369554721.db2.gz OOFOIGRPQYMNQA-VAMGGRTRSA-N 2 0 338.536 3.038 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cccc4ncc(F)cc43)cc[nH+]2)CC1 ZINC001201668019 1369601304 /nfs/dbraw/zinc/60/13/04/1369601304.db2.gz PMSZKQJELSMAPR-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccccc3-c3cnco3)cc[nH+]2)CC1 ZINC001201667384 1369601320 /nfs/dbraw/zinc/60/13/20/1369601320.db2.gz PEMCWKBFKNCJRD-UHFFFAOYSA-N 2 0 335.411 3.232 20 0 EGADRP Cc1c(C)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C)c(C)c1N ZINC001201667244 1369602099 /nfs/dbraw/zinc/60/20/99/1369602099.db2.gz DMMKJBTYOBEYGS-UHFFFAOYSA-N 2 0 339.487 3.393 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001201801682 1369626747 /nfs/dbraw/zinc/62/67/47/1369626747.db2.gz NFDFERVWPFQZSA-UHFFFAOYSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001202077154 1369682429 /nfs/dbraw/zinc/68/24/29/1369682429.db2.gz DCANYIBMNKEGDC-RTBURBONSA-N 2 0 331.504 3.041 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001202197554 1369713329 /nfs/dbraw/zinc/71/33/29/1369713329.db2.gz SFGUXHJWVVCEOU-VOTSOKGWSA-N 2 0 347.503 3.282 20 0 EGADRP Cc1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)cc1 ZINC001202526591 1369799483 /nfs/dbraw/zinc/79/94/83/1369799483.db2.gz LQLFTKICUHIEHV-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1)c1ccccc1 ZINC001202539066 1369802881 /nfs/dbraw/zinc/80/28/81/1369802881.db2.gz IQWYLKDOWIZYJA-KRWDZBQOSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001114287076 1369852745 /nfs/dbraw/zinc/85/27/45/1369852745.db2.gz FDCUGBVFJCFYHK-LAXBAZCNSA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202771316 1369885560 /nfs/dbraw/zinc/88/55/60/1369885560.db2.gz AXIDXAYNQHOJAZ-FQEVSTJZSA-N 2 0 349.563 3.410 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001202771355 1369885974 /nfs/dbraw/zinc/88/59/74/1369885974.db2.gz BZAKROLDXJNZOL-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114403121 1369933710 /nfs/dbraw/zinc/93/37/10/1369933710.db2.gz NGMWCCOFBOMEPQ-LQKFOWNNSA-N 2 0 347.547 3.042 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001202990916 1369947777 /nfs/dbraw/zinc/94/77/77/1369947777.db2.gz FVPOQXZRDLUDJU-MSOLQXFVSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203115972 1369987832 /nfs/dbraw/zinc/98/78/32/1369987832.db2.gz WJMJONTURGQOAY-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203201780 1370022922 /nfs/dbraw/zinc/02/29/22/1370022922.db2.gz JRGQPSBPNXKAGU-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC3)C23CCC3)CCCC1 ZINC001203228870 1370032388 /nfs/dbraw/zinc/03/23/88/1370032388.db2.gz CDHUXQGHKLXGJG-MSOLQXFVSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230668 1370032859 /nfs/dbraw/zinc/03/28/59/1370032859.db2.gz PHRAKTNTTVBLNW-ZWKOTPCHSA-N 2 0 335.536 3.066 20 0 EGADRP CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203233060 1370034097 /nfs/dbraw/zinc/03/40/97/1370034097.db2.gz ZRGKUPRWSKOHNT-MSOLQXFVSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203311690 1370077840 /nfs/dbraw/zinc/07/78/40/1370077840.db2.gz OBEQPMJKZIIZCP-IAGOWNOFSA-N 2 0 347.503 3.018 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425625 1370119984 /nfs/dbraw/zinc/11/99/84/1370119984.db2.gz DBHQIZDQBNSHPM-BTFXCVNISA-N 2 0 349.563 3.338 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577000 1370176743 /nfs/dbraw/zinc/17/67/43/1370176743.db2.gz MNLKDJRPKFEYHF-BTFXCVNISA-N 2 0 335.536 3.092 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203579373 1370177247 /nfs/dbraw/zinc/17/72/47/1370177247.db2.gz ZKPRJFNCFGCXNL-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203605257 1370185600 /nfs/dbraw/zinc/18/56/00/1370185600.db2.gz JXIDWJDLYXABOX-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCCCCC)C[C@H]21 ZINC001114981760 1370190808 /nfs/dbraw/zinc/19/08/08/1370190808.db2.gz ATGMQTKHCZOSCD-RUYXUALKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001114988921 1370194352 /nfs/dbraw/zinc/19/43/52/1370194352.db2.gz NCCDZRDCNREISL-KXOOMDDFSA-N 2 0 349.563 3.146 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2 ZINC001203769967 1370257230 /nfs/dbraw/zinc/25/72/30/1370257230.db2.gz DETHNPRJLRFJFW-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203869658 1370294732 /nfs/dbraw/zinc/29/47/32/1370294732.db2.gz LAAZNTYDNYUDEU-SNAWJCMRSA-N 2 0 335.536 3.189 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001203869715 1370294786 /nfs/dbraw/zinc/29/47/86/1370294786.db2.gz NSJGQBCULFJNGB-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203877556 1370297077 /nfs/dbraw/zinc/29/70/77/1370297077.db2.gz XITYEBVFDXWJOY-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001203932321 1370319315 /nfs/dbraw/zinc/31/93/15/1370319315.db2.gz BQCJRCYYVCECFI-GOSISDBHSA-N 2 0 345.531 3.285 20 0 EGADRP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC001204074724 1370368923 /nfs/dbraw/zinc/36/89/23/1370368923.db2.gz QVBRLIAIJURTBS-UHFFFAOYSA-N 2 0 343.496 3.010 20 0 EGADRP COC(=O)c1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1 ZINC001204147325 1370389850 /nfs/dbraw/zinc/38/98/50/1370389850.db2.gz JFJWVJUPIZUVTE-UHFFFAOYSA-N 2 0 330.472 3.027 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC001204180946 1370401976 /nfs/dbraw/zinc/40/19/76/1370401976.db2.gz XDNTUEBUCVLTFC-JOCHJYFZSA-N 3 0 341.543 3.316 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204272095 1370428301 /nfs/dbraw/zinc/42/83/01/1370428301.db2.gz VCLBYIZYWFLVBT-UHFFFAOYSA-N 3 0 335.536 3.181 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001204268670 1370428538 /nfs/dbraw/zinc/42/85/38/1370428538.db2.gz MQFVUDLEKMDDJM-INIZCTEOSA-N 2 0 326.431 3.494 20 0 EGADRP Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CCCCC2)cs1 ZINC001115450663 1370459223 /nfs/dbraw/zinc/45/92/23/1370459223.db2.gz JADROVSBDBRFTL-QGZVFWFLSA-N 2 0 349.544 3.059 20 0 EGADRP Cc1c(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cnn1C ZINC001204569273 1370518654 /nfs/dbraw/zinc/51/86/54/1370518654.db2.gz PCKXKBYGAXGVAI-LJQANCHMSA-N 2 0 342.487 3.198 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115534888 1370531851 /nfs/dbraw/zinc/53/18/51/1370531851.db2.gz AAFMGNJBDQNLDO-SFHVURJKSA-N 2 0 335.536 3.234 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537138 1370534026 /nfs/dbraw/zinc/53/40/26/1370534026.db2.gz YAJGYAGCEIFNQF-OALUTQOASA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2CC2)CCCCC1)[NH+]1CCCCC1 ZINC001115538784 1370535578 /nfs/dbraw/zinc/53/55/78/1370535578.db2.gz YFCZFERVQOWMDS-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CC2CCC2)CCCCC1)[NH+]1CCCCC1 ZINC001115538783 1370535617 /nfs/dbraw/zinc/53/56/17/1370535617.db2.gz YCZLCYIEBOOEEF-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+](C)Cc1ccc(-c2cccc3cc([C@@H]4C[NH2+]CCO4)cn32)cc1 ZINC001204641341 1370535793 /nfs/dbraw/zinc/53/57/93/1370535793.db2.gz BCBZUUSIFGDUHN-NRFANRHFSA-N 2 0 335.451 3.329 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573728 1370576748 /nfs/dbraw/zinc/57/67/48/1370576748.db2.gz VIYXOOCUGHVAEH-LIXSYLKWSA-N 2 0 349.563 3.482 20 0 EGADRP F[C@@H]1CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCC1(F)F ZINC001204848584 1370589363 /nfs/dbraw/zinc/58/93/63/1370589363.db2.gz OBGAAXHPHGFUTK-MRXNPFEDSA-N 2 0 337.389 3.314 20 0 EGADRP c1cc2c(cc1CN1CC[NH+](CC3CCCCC3)CC1)CC[NH2+]C2 ZINC001204863513 1370592671 /nfs/dbraw/zinc/59/26/71/1370592671.db2.gz KICCUACGJWDLMO-UHFFFAOYSA-N 2 0 327.516 3.030 20 0 EGADRP CC[N@H+](C[C@@H]1[C@@H](C)CNCC1(F)F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870660 1370593536 /nfs/dbraw/zinc/59/35/36/1370593536.db2.gz ZGEKHLPDGXSMFD-RLFYNMQTSA-N 2 0 340.458 3.439 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630629 1370623784 /nfs/dbraw/zinc/62/37/84/1370623784.db2.gz RDDVDEUWCAVEII-UHFFFAOYSA-N 2 0 342.487 3.403 20 0 EGADRP C[N@H+](CCC(=O)NCC1([NH2+]CCF)CCCCC1)C1CCCCC1 ZINC001115648151 1370636555 /nfs/dbraw/zinc/63/65/55/1370636555.db2.gz CIOZMFPAXYRUOR-UHFFFAOYSA-N 2 0 341.515 3.019 20 0 EGADRP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150660 1370663883 /nfs/dbraw/zinc/66/38/83/1370663883.db2.gz GYVTYMJSNQIUMH-HNAYVOBHSA-N 2 0 334.467 3.336 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696353 1370678081 /nfs/dbraw/zinc/67/80/81/1370678081.db2.gz RKZZGODDBKQBTL-AATRIKPKSA-N 2 0 335.536 3.093 20 0 EGADRP CCCCCCOc1ccccc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210105 1370681324 /nfs/dbraw/zinc/68/13/24/1370681324.db2.gz MRFUQXHNSTXFTC-HXUWFJFHSA-N 2 0 334.504 3.321 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273218 1370702595 /nfs/dbraw/zinc/70/25/95/1370702595.db2.gz ICHKJFCWGBRULO-IBGZPJMESA-N 2 0 329.444 3.048 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205285358 1370706368 /nfs/dbraw/zinc/70/63/68/1370706368.db2.gz WGYMHWRWOLKQEQ-WGLWSTOQSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)C1 ZINC001115729955 1370712115 /nfs/dbraw/zinc/71/21/15/1370712115.db2.gz ZGBOIWCCOMJRTH-SFHVURJKSA-N 2 0 349.563 3.317 20 0 EGADRP [NH3+][C@H](CCc1nc([C@@H]2C[NH+]3CCC2CC3)no1)CC1CCCCC1 ZINC001325933878 1388091864 /nfs/dbraw/zinc/09/18/64/1388091864.db2.gz NXPYDGVPDRQAJF-IAGOWNOFSA-N 2 0 332.492 3.109 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768947 1370753382 /nfs/dbraw/zinc/75/33/82/1370753382.db2.gz OHMZWPQXYLBEME-MOPGFXCFSA-N 2 0 347.547 3.378 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCCC1 ZINC001115777142 1370759947 /nfs/dbraw/zinc/75/99/47/1370759947.db2.gz CKTFBSVCLUKWCS-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCCCC1 ZINC001115777405 1370760014 /nfs/dbraw/zinc/76/00/14/1370760014.db2.gz YHDQCBFHHAWXQC-UHFFFAOYSA-N 2 0 345.531 3.246 20 0 EGADRP CCn1cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001205527890 1370782370 /nfs/dbraw/zinc/78/23/70/1370782370.db2.gz CRJUJBXQONVHBT-LJQANCHMSA-N 2 0 342.487 3.373 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(F)ccc2Br)CC1 ZINC001205545189 1370787294 /nfs/dbraw/zinc/78/72/94/1370787294.db2.gz AGPXSSUCKUIDIG-AWEZNQCLSA-N 2 0 333.220 3.241 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001205562085 1370792315 /nfs/dbraw/zinc/79/23/15/1370792315.db2.gz PKHBSKWCVSDCHC-MDZDMXLPSA-N 2 0 337.552 3.291 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205569978 1370794436 /nfs/dbraw/zinc/79/44/36/1370794436.db2.gz BJVCILXRJKVDFN-IBGZPJMESA-N 2 0 335.467 3.446 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC1 ZINC001205570558 1370795315 /nfs/dbraw/zinc/79/53/15/1370795315.db2.gz LRGQPQVXXBNNMI-GOSISDBHSA-N 2 0 348.853 3.450 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591021 1370802981 /nfs/dbraw/zinc/80/29/81/1370802981.db2.gz BJYFWWYBZYDEER-QGZVFWFLSA-N 2 0 342.842 3.170 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592272 1370803619 /nfs/dbraw/zinc/80/36/19/1370803619.db2.gz RKSKXDAESIUMOG-FQEVSTJZSA-N 2 0 343.446 3.410 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1Br ZINC001205592549 1370803733 /nfs/dbraw/zinc/80/37/33/1370803733.db2.gz VYSMHIAVPJMNFI-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)no2)cc1 ZINC001205602624 1370807485 /nfs/dbraw/zinc/80/74/85/1370807485.db2.gz KPBYZUYXHJSIPO-GDBMZVCRSA-N 2 0 329.444 3.157 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205615807 1370811447 /nfs/dbraw/zinc/81/14/47/1370811447.db2.gz BEWRIPVXNSTIQC-DGCLKSJQSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1OC ZINC001205618610 1370812547 /nfs/dbraw/zinc/81/25/47/1370812547.db2.gz XQROGNJFRAYPAT-CHWSQXEVSA-N 2 0 326.868 3.164 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1OC(F)F ZINC001205618609 1370813372 /nfs/dbraw/zinc/81/33/72/1370813372.db2.gz XPEAHBXPGDVXLP-TZMCWYRMSA-N 2 0 328.403 3.103 20 0 EGADRP C[C@H]1CC[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CC[C@H]1C[NH3+] ZINC001205625219 1370816165 /nfs/dbraw/zinc/81/61/65/1370816165.db2.gz ACCYLEQZFQFSTP-QWRGUYRKSA-N 2 0 346.422 3.221 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662641 1370833893 /nfs/dbraw/zinc/83/38/93/1370833893.db2.gz CWZXLBJSSCFZJQ-DYESRHJHSA-N 2 0 332.532 3.338 20 0 EGADRP CCCCCCOc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205673020 1370837473 /nfs/dbraw/zinc/83/74/73/1370837473.db2.gz NUEQEZQGNCMMOS-FQEVSTJZSA-N 2 0 334.504 3.321 20 0 EGADRP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205672771 1370837846 /nfs/dbraw/zinc/83/78/46/1370837846.db2.gz LMZCPMLRYRWIKL-HXUWFJFHSA-N 2 0 329.488 3.141 20 0 EGADRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001205725596 1370852432 /nfs/dbraw/zinc/85/24/32/1370852432.db2.gz IZUOXDXDLKUTEP-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(F)c(F)c1 ZINC001116244968 1370867837 /nfs/dbraw/zinc/86/78/37/1370867837.db2.gz HMRPGZQDFUYIRJ-UHFFFAOYSA-N 2 0 328.322 3.035 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981779 1370929072 /nfs/dbraw/zinc/92/90/72/1370929072.db2.gz HCHDSAQSYLQJKX-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CCC[C@@H]1C[NH3+] ZINC001206003909 1370935611 /nfs/dbraw/zinc/93/56/11/1370935611.db2.gz NKHQIKFQIDSDCG-VXGBXAGGSA-N 2 0 340.393 3.389 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001206026294 1370942537 /nfs/dbraw/zinc/94/25/37/1370942537.db2.gz RHVWLWOMNXTATO-JKSUJKDBSA-N 2 0 331.504 3.478 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206056728 1370949961 /nfs/dbraw/zinc/94/99/61/1370949961.db2.gz ICNUVQFIQUABFB-UHFFFAOYSA-N 2 0 349.519 3.363 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001206074515 1370954752 /nfs/dbraw/zinc/95/47/52/1370954752.db2.gz QOACFKYOZZIQOP-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2c(OC)cccc12 ZINC001206166637 1370977612 /nfs/dbraw/zinc/97/76/12/1370977612.db2.gz TWHRKWRHVCPJNQ-HOTGVXAUSA-N 2 0 332.419 3.118 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001206245972 1371002747 /nfs/dbraw/zinc/00/27/47/1371002747.db2.gz NSFCPJJIMZEHKZ-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001206275471 1371009730 /nfs/dbraw/zinc/00/97/30/1371009730.db2.gz SYCDDLBNIUBBTM-DUMMIQTOSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001206292892 1371014348 /nfs/dbraw/zinc/01/43/48/1371014348.db2.gz FKVVGFRUYFEKKG-NHCUHLMSSA-N 3 0 329.532 3.350 20 0 EGADRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1OC ZINC001206305428 1371016597 /nfs/dbraw/zinc/01/65/97/1371016597.db2.gz ZETNLXFTJNHVMQ-QGZVFWFLSA-N 2 0 326.868 3.308 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001206326502 1371023364 /nfs/dbraw/zinc/02/33/64/1371023364.db2.gz OGOBAPIDKBJLHG-GOSISDBHSA-N 2 0 332.879 3.477 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)nc1 ZINC001206333317 1371025691 /nfs/dbraw/zinc/02/56/91/1371025691.db2.gz RZFOWPQAPYUFTR-HXUWFJFHSA-N 2 0 341.503 3.444 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482653 1371068626 /nfs/dbraw/zinc/06/86/26/1371068626.db2.gz WQSWZEOQMZZRKM-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206549225 1371089692 /nfs/dbraw/zinc/08/96/92/1371089692.db2.gz WJGLZVXOFWRLBW-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206548493 1371090385 /nfs/dbraw/zinc/09/03/85/1371090385.db2.gz PYKBMZUENRYYIF-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC001117942828 1371110420 /nfs/dbraw/zinc/11/04/20/1371110420.db2.gz GSNZNLMJDKHLJF-MRXNPFEDSA-N 2 0 347.478 3.480 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001117959726 1371113952 /nfs/dbraw/zinc/11/39/52/1371113952.db2.gz HRDFJLKCWXSVMS-IBGZPJMESA-N 2 0 331.504 3.012 20 0 EGADRP [NH3+]C[C@H]1CCCCN(Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 ZINC001206646896 1371118486 /nfs/dbraw/zinc/11/84/86/1371118486.db2.gz DXTWXLGIUYYESS-LLVKDONJSA-N 2 0 342.365 3.022 20 0 EGADRP c1oc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001118059807 1371126744 /nfs/dbraw/zinc/12/67/44/1371126744.db2.gz SVXFEFZVMLGBIE-OTWHNJEPSA-N 2 0 325.456 3.394 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)CC1 ZINC001206679518 1371130300 /nfs/dbraw/zinc/13/03/00/1371130300.db2.gz JEGBUGXQMQQKCZ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OCC ZINC001118243544 1371152976 /nfs/dbraw/zinc/15/29/76/1371152976.db2.gz VXTDILYRBHCHFS-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871296 1371198556 /nfs/dbraw/zinc/19/85/56/1371198556.db2.gz GMLZQTBABCWNDV-SBUVDCAVSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206885451 1371207352 /nfs/dbraw/zinc/20/73/52/1371207352.db2.gz NHAPFAJZQQAVKD-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206954922 1371244850 /nfs/dbraw/zinc/24/48/50/1371244850.db2.gz DHTDOXQSPCRHGO-MOZIWPGPSA-N 2 0 335.536 3.042 20 0 EGADRP c1nc(CN2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)n2ccccc12 ZINC001207050177 1371277253 /nfs/dbraw/zinc/27/72/53/1371277253.db2.gz LPOPZFFRLAALPD-BGYRXZFFSA-N 2 0 332.451 3.183 20 0 EGADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCCC[C@@H]2N(C)C)CC1 ZINC001119238026 1371288210 /nfs/dbraw/zinc/28/82/10/1371288210.db2.gz VUQQIYMQFWHPLH-MSOLQXFVSA-N 2 0 331.504 3.126 20 0 EGADRP O=c1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc[nH]1 ZINC001207126354 1371302899 /nfs/dbraw/zinc/30/28/99/1371302899.db2.gz POVWNYSLHOPZON-VQTJNVASSA-N 2 0 337.467 3.131 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001207280719 1371348425 /nfs/dbraw/zinc/34/84/25/1371348425.db2.gz ZRDYQRQWINIEDR-UXHICEINSA-N 2 0 329.532 3.171 20 0 EGADRP Cc1ncc2n1CC[N@@H+](CCCc1ccc(Br)cc1)C2 ZINC001207315847 1371358179 /nfs/dbraw/zinc/35/81/79/1371358179.db2.gz KLMVBZLVMACPBV-UHFFFAOYSA-N 2 0 334.261 3.402 20 0 EGADRP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001207399837 1371384916 /nfs/dbraw/zinc/38/49/16/1371384916.db2.gz VTVYEQSKVJOZQL-FQEVSTJZSA-N 2 0 346.515 3.418 20 0 EGADRP Cn1ccnc1C[C@H]1CCC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001119691119 1371388984 /nfs/dbraw/zinc/38/89/84/1371388984.db2.gz GJQURCXVXNGVGJ-XEVCZEQESA-N 2 0 339.483 3.422 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CC1CC[NH2+]CC1 ZINC001207441711 1371396812 /nfs/dbraw/zinc/39/68/12/1371396812.db2.gz LGNSQVNVPPFDQI-OALUTQOASA-N 2 0 330.472 3.145 20 0 EGADRP Clc1cc(Cl)cc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC001207439379 1371397026 /nfs/dbraw/zinc/39/70/26/1371397026.db2.gz QMXBWNAQYDIXHW-UHFFFAOYSA-N 2 0 328.287 3.115 20 0 EGADRP COc1ccccc1CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207456947 1371400757 /nfs/dbraw/zinc/40/07/57/1371400757.db2.gz ZEGBYZBEEKPCTR-NHCUHLMSSA-N 2 0 336.479 3.302 20 0 EGADRP C[N@H+](CCC1CC[NH+](C)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207486468 1371411062 /nfs/dbraw/zinc/41/10/62/1371411062.db2.gz JBTVWZXCRUBRMB-NRFANRHFSA-N 3 0 329.532 3.172 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001207487194 1371411140 /nfs/dbraw/zinc/41/11/40/1371411140.db2.gz RVSIZBJEZVQXMD-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001207489237 1371411603 /nfs/dbraw/zinc/41/16/03/1371411603.db2.gz VZVNVENLWHEHAF-UHFFFAOYSA-N 2 0 332.463 3.452 20 0 EGADRP C[NH+]1CCC(C[NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 ZINC001119948102 1371429848 /nfs/dbraw/zinc/42/98/48/1371429848.db2.gz JGCYGCHFCBKMQG-UHFFFAOYSA-N 2 0 330.501 3.069 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207604786 1371450074 /nfs/dbraw/zinc/45/00/74/1371450074.db2.gz AHCOVTBFGJUKOO-UHFFFAOYSA-N 2 0 335.511 3.108 20 0 EGADRP O=C(NCC1([NH2+]CC2CCCCC2)CCCCC1)C12CC[NH+](CC1)C2 ZINC001120021652 1371458670 /nfs/dbraw/zinc/45/86/70/1371458670.db2.gz QRIAYUKOKMLPRC-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001120208035 1371504882 /nfs/dbraw/zinc/50/48/82/1371504882.db2.gz RMCOSHIXONTVAX-CEXWTWQISA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1 ZINC001120208276 1371504993 /nfs/dbraw/zinc/50/49/93/1371504993.db2.gz XYLMJUSDDKCQEZ-UHFFFAOYSA-N 2 0 349.494 3.075 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120207860 1371505292 /nfs/dbraw/zinc/50/52/92/1371505292.db2.gz JGQXCVPWTQTLBG-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H](C)c1ccccc1)C2 ZINC001207904325 1371533259 /nfs/dbraw/zinc/53/32/59/1371533259.db2.gz CPKCATFLABDOFA-QIJUGHKUSA-N 2 0 342.527 3.470 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120403201 1371563733 /nfs/dbraw/zinc/56/37/33/1371563733.db2.gz WISDPPQDFGZIIX-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001120430560 1371573726 /nfs/dbraw/zinc/57/37/26/1371573726.db2.gz LTILGNSZZCWZRG-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208049478 1371580652 /nfs/dbraw/zinc/58/06/52/1371580652.db2.gz NWVQFPKIAXIKQV-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001120450554 1371581354 /nfs/dbraw/zinc/58/13/54/1371581354.db2.gz WMURKAHAKGEHOD-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP COC(=O)c1cccc(C2CC[NH+](CC3(C)CC[NH+](C)CC3)CC2)c1 ZINC001208108220 1371597032 /nfs/dbraw/zinc/59/70/32/1371597032.db2.gz BIIRWXJDFGZKCU-UHFFFAOYSA-N 2 0 344.499 3.385 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001208109962 1371597486 /nfs/dbraw/zinc/59/74/86/1371597486.db2.gz QIUHKZYLHXPDFR-RTWAWAEBSA-N 2 0 341.543 3.315 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001208113275 1371598775 /nfs/dbraw/zinc/59/87/75/1371598775.db2.gz GGKCSRRCFCGVSR-UHFFFAOYSA-N 2 0 328.500 3.282 20 0 EGADRP C[C@@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@@]1(O)C(F)(F)F ZINC001208185226 1371627103 /nfs/dbraw/zinc/62/71/03/1371627103.db2.gz XQABHMMBPPLNRJ-ZBFHGGJFSA-N 2 0 336.442 3.134 20 0 EGADRP CCCc1noc([C@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208186806 1371627235 /nfs/dbraw/zinc/62/72/35/1371627235.db2.gz YYRUQCLJPIEZEW-INIZCTEOSA-N 2 0 334.508 3.324 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001208448033 1371769966 /nfs/dbraw/zinc/76/99/66/1371769966.db2.gz UCDMQDNJSIYXDP-HZPDHXFCSA-N 2 0 349.494 3.198 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208467747 1371779418 /nfs/dbraw/zinc/77/94/18/1371779418.db2.gz TYJHEAXKQZKLPH-BDUNBXCCSA-N 2 0 340.471 3.193 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498874 1371788993 /nfs/dbraw/zinc/78/89/93/1371788993.db2.gz YQTFRMRLSFGKGO-SHCNBLLESA-N 2 0 340.471 3.275 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001326346232 1388161459 /nfs/dbraw/zinc/16/14/59/1388161459.db2.gz ABWDCECWLRGCGV-LJQANCHMSA-N 2 0 343.515 3.062 20 0 EGADRP CC(C)[N@H+](C)[C@H]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590034 1371830307 /nfs/dbraw/zinc/83/03/07/1371830307.db2.gz BPEZWZVZDTZJBE-LEWJYISDSA-N 2 0 329.532 3.456 20 0 EGADRP C[NH+]1CC2(C1)CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC001208592345 1371831326 /nfs/dbraw/zinc/83/13/26/1371831326.db2.gz SWNUKOJLTGIRER-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001208599776 1371836386 /nfs/dbraw/zinc/83/63/86/1371836386.db2.gz BEFZPBYTUMJXKU-CALCHBBNSA-N 2 0 336.483 3.248 20 0 EGADRP COC(=O)[C@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001208630441 1371846772 /nfs/dbraw/zinc/84/67/72/1371846772.db2.gz ZRGWQLGXRBYVJI-CADBVGFASA-N 2 0 336.520 3.305 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)CC[N@@H+]1C ZINC001121133571 1371862069 /nfs/dbraw/zinc/86/20/69/1371862069.db2.gz CWWDEJAWNMEEFH-HRTVXQQGSA-N 2 0 349.563 3.170 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001121134026 1371863160 /nfs/dbraw/zinc/86/31/60/1371863160.db2.gz OZAIHSVQJKPQSE-JSMKSKOISA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208719915 1371872734 /nfs/dbraw/zinc/87/27/34/1371872734.db2.gz XTFWBTODRQXFNS-IBGZPJMESA-N 2 0 345.531 3.031 20 0 EGADRP CC/C=C\CC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001208727877 1371875602 /nfs/dbraw/zinc/87/56/02/1371875602.db2.gz UCHVDWPEECRCOL-BBIZLLLXSA-N 2 0 343.515 3.493 20 0 EGADRP Clc1ccc(CC[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001208740754 1371880201 /nfs/dbraw/zinc/88/02/01/1371880201.db2.gz UOBDAAYSDLMDFX-KDURUIRLSA-N 2 0 341.886 3.341 20 0 EGADRP CC1CC(C[NH2+][C@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001208748535 1371882516 /nfs/dbraw/zinc/88/25/16/1371882516.db2.gz KPMLZVNOJYNNEN-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208748758 1371883907 /nfs/dbraw/zinc/88/39/07/1371883907.db2.gz LIQKNPQPZBLEBV-UEKDZROGSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758399 1371885339 /nfs/dbraw/zinc/88/53/39/1371885339.db2.gz JHXYUXOPHJLRNI-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CCCC1 ZINC001208768692 1371890710 /nfs/dbraw/zinc/89/07/10/1371890710.db2.gz GRQVEZDZOSFDSO-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@H+](CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2)C1CCC1 ZINC001121246116 1371906761 /nfs/dbraw/zinc/90/67/61/1371906761.db2.gz LOYWQHXQYFLCIM-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP OCC[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208930429 1371949580 /nfs/dbraw/zinc/94/95/80/1371949580.db2.gz BDOAMVITXDWGHB-LEWJYISDSA-N 2 0 342.527 3.383 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208934354 1371951644 /nfs/dbraw/zinc/95/16/44/1371951644.db2.gz FMUURYLZOMONMC-VXKWHMMOSA-N 2 0 341.543 3.459 20 0 EGADRP C[N@@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001208945833 1371959193 /nfs/dbraw/zinc/95/91/93/1371959193.db2.gz DUSRJGQLDJFUKE-JTHBVZDNSA-N 2 0 349.522 3.497 20 0 EGADRP CC(C)[N@@H+]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC001208949006 1371960146 /nfs/dbraw/zinc/96/01/46/1371960146.db2.gz VEZMJUONIPBGKQ-PZJWPPBQSA-N 2 0 329.532 3.313 20 0 EGADRP CC[N@@H+]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208949443 1371960380 /nfs/dbraw/zinc/96/03/80/1371960380.db2.gz VKUKFXSVWWHYGV-FQEVSTJZSA-N 2 0 329.532 3.315 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC001208950568 1371961022 /nfs/dbraw/zinc/96/10/22/1371961022.db2.gz UMMCGGMIUIDIOU-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC001208950567 1371961098 /nfs/dbraw/zinc/96/10/98/1371961098.db2.gz UMMCGGMIUIDIOU-FQEVSTJZSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1ccnn1C1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208957904 1371962156 /nfs/dbraw/zinc/96/21/56/1371962156.db2.gz MRVCKQUMYHDLAD-FQEVSTJZSA-N 2 0 338.499 3.351 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001209250724 1372051063 /nfs/dbraw/zinc/05/10/63/1372051063.db2.gz IQUJDESRDMMIII-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001209322916 1372069080 /nfs/dbraw/zinc/06/90/80/1372069080.db2.gz BOOYEJLEZGOKTA-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001209325343 1372069571 /nfs/dbraw/zinc/06/95/71/1372069571.db2.gz ZAXZTLAUHRBPRF-RTBURBONSA-N 2 0 345.531 3.287 20 0 EGADRP C[N@H+](CCCCNC(=O)OC(C)(C)C)CCC[NH+]1CCCCC1 ZINC001209452060 1372108937 /nfs/dbraw/zinc/10/89/37/1372108937.db2.gz AITMBDBAFWWQPO-UHFFFAOYSA-N 2 0 327.513 3.099 20 0 EGADRP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209451047 1372108957 /nfs/dbraw/zinc/10/89/57/1372108957.db2.gz SDWKRJDHGXIDHA-KRWDZBQOSA-N 2 0 339.524 3.242 20 0 EGADRP CC[C@@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)NC(=O)OC(C)(C)C ZINC001209466729 1372114107 /nfs/dbraw/zinc/11/41/07/1372114107.db2.gz QGLTZZQJMNSLCT-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001121916359 1372122149 /nfs/dbraw/zinc/12/21/49/1372122149.db2.gz WPKHWWLOLPTFRN-WSTZPKSXSA-N 2 0 337.552 3.111 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC001121918908 1372123061 /nfs/dbraw/zinc/12/30/61/1372123061.db2.gz HHJKMWQTAGTPBR-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209612068 1372150694 /nfs/dbraw/zinc/15/06/94/1372150694.db2.gz BDFPHKCBPIGWNL-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001209613827 1372150728 /nfs/dbraw/zinc/15/07/28/1372150728.db2.gz KYKUGVTYMAKDEQ-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CC(C)(C)C[NH3+])CCCC1)c1ccccc1 ZINC001122004222 1372150829 /nfs/dbraw/zinc/15/08/29/1372150829.db2.gz KEPJTRZUBPIXCO-MRXNPFEDSA-N 2 0 331.504 3.141 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1)[NH+](C)C ZINC001209668138 1372165823 /nfs/dbraw/zinc/16/58/23/1372165823.db2.gz BNTASFAQRYQQAD-MUMTWGKBSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001122231368 1372206959 /nfs/dbraw/zinc/20/69/59/1372206959.db2.gz IRUNMZNBOLLJSU-NQQAFZQPSA-N 2 0 349.563 3.312 20 0 EGADRP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242636 1372210264 /nfs/dbraw/zinc/21/02/64/1372210264.db2.gz MOJLFZASXAHZQI-FCOWATRHSA-N 2 0 349.563 3.458 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209952385 1372239971 /nfs/dbraw/zinc/23/99/71/1372239971.db2.gz QIVJXJHDVYYCET-UEKDZROGSA-N 2 0 335.536 3.045 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)C(C)C ZINC001210189892 1372291445 /nfs/dbraw/zinc/29/14/45/1372291445.db2.gz OIFJPTZQOLUBJZ-PMACEKPBSA-N 2 0 349.563 3.434 20 0 EGADRP c1cc(Nc2ccc(C3CCOCC3)cc2)cc(N2CC[NH2+]CC2)[nH+]1 ZINC001210269497 1372311370 /nfs/dbraw/zinc/31/13/70/1372311370.db2.gz VEVURUDZKZJFOJ-UHFFFAOYSA-N 2 0 338.455 3.129 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210691426 1372409170 /nfs/dbraw/zinc/40/91/70/1372409170.db2.gz YUBCGOIPXBBSDM-DKRLNXSXSA-N 2 0 344.503 3.088 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001210773746 1372424295 /nfs/dbraw/zinc/42/42/95/1372424295.db2.gz NZFBDKKMSLKTRQ-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210811738 1372431544 /nfs/dbraw/zinc/43/15/44/1372431544.db2.gz QIMMWBLQQDCOMB-MOPGFXCFSA-N 2 0 345.531 3.287 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126213 1372488079 /nfs/dbraw/zinc/48/80/79/1372488079.db2.gz PCFROFATPDTXGE-RTLBZRNLSA-N 2 0 335.536 3.189 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001211256571 1372513254 /nfs/dbraw/zinc/51/32/54/1372513254.db2.gz JFFSVPSIZSFZFQ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262493 1372515120 /nfs/dbraw/zinc/51/51/20/1372515120.db2.gz RKZOBCMOUYWQQE-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001211285612 1372520637 /nfs/dbraw/zinc/52/06/37/1372520637.db2.gz QDNUAGJEZITTHV-MOPGFXCFSA-N 2 0 331.504 3.059 20 0 EGADRP C[NH+](C)CCOc1cccc(Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC001212808795 1372777479 /nfs/dbraw/zinc/77/74/79/1372777479.db2.gz HHERXGNISUIUDF-UHFFFAOYSA-N 2 0 327.472 3.475 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001326507772 1388223435 /nfs/dbraw/zinc/22/34/35/1388223435.db2.gz JTQAPWIYMUHVEM-VJANTYMQSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001214996920 1373153188 /nfs/dbraw/zinc/15/31/88/1373153188.db2.gz FRWRRQLDBLPXJZ-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153182 1373179943 /nfs/dbraw/zinc/17/99/43/1373179943.db2.gz GNDRMYBMKRJNLI-GPMSIDNRSA-N 2 0 342.487 3.067 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224650 1373189255 /nfs/dbraw/zinc/18/92/55/1373189255.db2.gz VRZMGJXQHCHMDP-NKKNLYITSA-N 2 0 347.547 3.044 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188140230 1388249061 /nfs/dbraw/zinc/24/90/61/1388249061.db2.gz ZTLXECANAGRIBD-HEVSSNLLSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)c1sccc1C[NH+](C)C)c1ccc(F)cc1 ZINC001128543136 1373287344 /nfs/dbraw/zinc/28/73/44/1373287344.db2.gz BZNKOSQEJWZSLU-ZDUSSCGKSA-N 2 0 349.475 3.029 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001128743343 1373307655 /nfs/dbraw/zinc/30/76/55/1373307655.db2.gz BZWXMSGWJPDJOG-MOPGFXCFSA-N 2 0 345.531 3.306 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001216490385 1373311739 /nfs/dbraw/zinc/31/17/39/1373311739.db2.gz AQEVFILHMJCBFN-YZGWKJHDSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001216834041 1373349502 /nfs/dbraw/zinc/34/95/02/1373349502.db2.gz HRARIKURCURHMW-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001129422446 1373382505 /nfs/dbraw/zinc/38/25/05/1373382505.db2.gz IWTSPXNVPGYKRM-IBGZPJMESA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001129950447 1373440046 /nfs/dbraw/zinc/44/00/46/1373440046.db2.gz URJUWYNCXOXSOY-APWZRJJASA-N 2 0 347.547 3.337 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189319 1373471909 /nfs/dbraw/zinc/47/19/09/1373471909.db2.gz NVOLXKFEMRXNSZ-UYAOXDASSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001130303576 1373487930 /nfs/dbraw/zinc/48/79/30/1373487930.db2.gz DKKASSUWKTVKHL-VQIMIIECSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001130306314 1373488130 /nfs/dbraw/zinc/48/81/30/1373488130.db2.gz VKGZMMKALBMMOM-UZLBHIALSA-N 2 0 339.483 3.091 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CO[C@@H]3CCC[C@]34CC[NH2+]C4)C2)cc1 ZINC001217803137 1373502366 /nfs/dbraw/zinc/50/23/66/1373502366.db2.gz PNRIDVGEHOMYEA-PWRODBHTSA-N 2 0 328.500 3.447 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3OCC2CC[NH2+]CC2)cc1 ZINC001217809324 1373503020 /nfs/dbraw/zinc/50/30/20/1373503020.db2.gz RVBIBSMZRLIJFP-WCRBZPEASA-N 2 0 328.500 3.303 20 0 EGADRP CC1(C)[NH2+][C@H](CO[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC001217847160 1373506793 /nfs/dbraw/zinc/50/67/93/1373506793.db2.gz DSJQITVKHGEAID-QZTJIDSGSA-N 2 0 332.488 3.028 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001130710696 1373583061 /nfs/dbraw/zinc/58/30/61/1373583061.db2.gz AVCNRTWKAJGSIY-FQEVSTJZSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@]1(c2cccc(OC[C@@H]3C[NH2+]CCCO3)c2)CCCC[N@H+](C)C1 ZINC001218301183 1373590984 /nfs/dbraw/zinc/59/09/84/1373590984.db2.gz ZAYFGOXDUIHNGU-SFTDATJTSA-N 2 0 346.515 3.207 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH2+]C1 ZINC001326664072 1388271695 /nfs/dbraw/zinc/27/16/95/1388271695.db2.gz MPNQVVIEEAGWBX-OAQYLSRUSA-N 2 0 343.515 3.069 20 0 EGADRP C[NH+]1CCC(c2ccc(NC(=O)C3CCC(C[NH3+])CC3)cc2)CC1 ZINC001218823846 1373658175 /nfs/dbraw/zinc/65/81/75/1373658175.db2.gz VYLUBMJQEDJGKC-UHFFFAOYSA-N 2 0 329.488 3.199 20 0 EGADRP Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)cc1OC(F)F ZINC001218999850 1373677156 /nfs/dbraw/zinc/67/71/56/1373677156.db2.gz LWPWKZTZJXDRHK-AWEZNQCLSA-N 2 0 343.418 3.031 20 0 EGADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(C2CC2)c2ccccc12 ZINC001219094722 1373686565 /nfs/dbraw/zinc/68/65/65/1373686565.db2.gz VEFKPWGYMSCZAN-IBGZPJMESA-N 2 0 325.456 3.373 20 0 EGADRP CCCC(C[NH3+])(CCC)NC(=O)c1ccccc1C1CC[NH2+]CC1 ZINC001221374883 1373770999 /nfs/dbraw/zinc/77/09/99/1373770999.db2.gz CXSNHCQOMBKGLX-UHFFFAOYSA-N 2 0 331.504 3.181 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848316 1373797790 /nfs/dbraw/zinc/79/77/90/1373797790.db2.gz JZNGHQJMITWLHM-VAMGGRTRSA-N 2 0 349.563 3.364 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848291 1373797925 /nfs/dbraw/zinc/79/79/25/1373797925.db2.gz IMDSOTGWUCDQHE-RQFBSITCSA-N 2 0 347.547 3.140 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001131844086 1373834108 /nfs/dbraw/zinc/83/41/08/1373834108.db2.gz AYWSMHLXHSSYAT-QGZVFWFLSA-N 2 0 331.504 3.026 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170178 1375059019 /nfs/dbraw/zinc/05/90/19/1375059019.db2.gz RTRIUMUZSHZMMU-AQNXPRMDSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CC[NH+](CC=C(C)C)CC1)C(C)C ZINC001224884103 1375082012 /nfs/dbraw/zinc/08/20/12/1375082012.db2.gz NRLCIVQQEYPEDA-LJQANCHMSA-N 2 0 337.552 3.147 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001225245673 1375099060 /nfs/dbraw/zinc/09/90/60/1375099060.db2.gz VODNQFQEDBJRAH-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCc2ncc[nH]2)C[N@@H+]1CCC1CCCCC1 ZINC001132024971 1375104691 /nfs/dbraw/zinc/10/46/91/1375104691.db2.gz KWEYYDCXNHOVLS-WMZOPIPTSA-N 2 0 346.519 3.282 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC1CCCCCC1 ZINC001132105553 1375150417 /nfs/dbraw/zinc/15/04/17/1375150417.db2.gz IUJNHYFDFVCGTM-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)[NH+]1CCCCC1 ZINC001226267364 1375230513 /nfs/dbraw/zinc/23/05/13/1375230513.db2.gz HONXYGWLAJLODC-BMEWNCGWSA-N 2 0 341.927 3.020 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001226332825 1375241161 /nfs/dbraw/zinc/24/11/61/1375241161.db2.gz BEHNLJZTOZPFOB-DNQJRFPUSA-N 2 0 349.563 3.480 20 0 EGADRP CCc1ccc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132248879 1375245152 /nfs/dbraw/zinc/24/51/52/1375245152.db2.gz JWBJEQMDRUDHSO-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)CCC1 ZINC001226766187 1375328586 /nfs/dbraw/zinc/32/85/86/1375328586.db2.gz JENYFPQEWJMGGV-QZTJIDSGSA-N 2 0 335.536 3.068 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC=C(C)C)C1 ZINC001132365743 1375330375 /nfs/dbraw/zinc/33/03/75/1375330375.db2.gz PQWPFBLNGRXADI-OALUTQOASA-N 2 0 337.552 3.434 20 0 EGADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1)C1CC1 ZINC001226801121 1375338129 /nfs/dbraw/zinc/33/81/29/1375338129.db2.gz SMOIHNRFAPKCSH-AQNXPRMDSA-N 2 0 349.563 3.314 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132376624 1375339446 /nfs/dbraw/zinc/33/94/46/1375339446.db2.gz PGBUCMCXBSMFJA-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001226817757 1375342517 /nfs/dbraw/zinc/34/25/17/1375342517.db2.gz ITCAIJJFNDDTMV-NSISKUIASA-N 2 0 343.515 3.249 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227791724 1375474609 /nfs/dbraw/zinc/47/46/09/1375474609.db2.gz GBUGHBGNVOTHTM-HZQHCPKGSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227877436 1375485838 /nfs/dbraw/zinc/48/58/38/1375485838.db2.gz ROQJSSABHQAQMC-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001228254997 1375534467 /nfs/dbraw/zinc/53/44/67/1375534467.db2.gz MJHDTPFIEAATLW-JDBYYAOJSA-N 2 0 343.515 3.059 20 0 EGADRP CCC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790522 1375565875 /nfs/dbraw/zinc/56/58/75/1375565875.db2.gz HLCLXIHGXPFTEV-HMECNJMJSA-N 2 0 335.536 3.236 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001132794674 1375568652 /nfs/dbraw/zinc/56/86/52/1375568652.db2.gz FFFAUUDIYFZASN-XLIONFOSSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001228569606 1375600451 /nfs/dbraw/zinc/60/04/51/1375600451.db2.gz RYYPYXGASJLUBW-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCC1CCCC1 ZINC001132887209 1375625716 /nfs/dbraw/zinc/62/57/16/1375625716.db2.gz CUFVKUMMPGHBEN-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132951288 1375668061 /nfs/dbraw/zinc/66/80/61/1375668061.db2.gz YORGHQUQADLZAS-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229127240 1375770606 /nfs/dbraw/zinc/77/06/06/1375770606.db2.gz UDFGTXDRUATEFD-WOJBJXKFSA-N 2 0 345.531 3.425 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)C(C)C ZINC001229194071 1375785319 /nfs/dbraw/zinc/78/53/19/1375785319.db2.gz ITRNKIGWFXKMDB-QAOWERKWSA-N 2 0 343.943 3.122 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133122980 1375787765 /nfs/dbraw/zinc/78/77/65/1375787765.db2.gz WYNJFWHJNHVXJC-LXORQPIJSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133162238 1375816187 /nfs/dbraw/zinc/81/61/87/1375816187.db2.gz JTBFYBYLHQPZFQ-RJOJHWARSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165576 1375819542 /nfs/dbraw/zinc/81/95/42/1375819542.db2.gz JOONXZLXDRUGNK-PXNSSMCTSA-N 2 0 345.531 3.092 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133176986 1375824706 /nfs/dbraw/zinc/82/47/06/1375824706.db2.gz BQRKJFARQYUJHO-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP C[NH+]1CCC(CC(=O)NC2CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC001229468254 1375841415 /nfs/dbraw/zinc/84/14/15/1375841415.db2.gz CJZPYHCREYTFCI-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001229633011 1375869836 /nfs/dbraw/zinc/86/98/36/1375869836.db2.gz QMZWOFKSWWQSPF-SFHLNBCPSA-N 2 0 345.531 3.281 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CCCC(C)C)CC1)C(C)C ZINC001229655553 1375873206 /nfs/dbraw/zinc/87/32/06/1375873206.db2.gz MRKPSSUMVZQMHJ-LJQANCHMSA-N 2 0 339.568 3.370 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133336566 1375929609 /nfs/dbraw/zinc/92/96/09/1375929609.db2.gz CITBQRMIVHHIAS-RBUKOAKNSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133342045 1375932683 /nfs/dbraw/zinc/93/26/83/1375932683.db2.gz NGWDCUIJGRNBTQ-HKUYNNGSSA-N 2 0 345.531 3.092 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001188932495 1388413705 /nfs/dbraw/zinc/41/37/05/1388413705.db2.gz YGUICQXUOCJPME-CADBVGFASA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284794 1375983374 /nfs/dbraw/zinc/98/33/74/1375983374.db2.gz VIAQZJULHGXUOH-KZNAEPCWSA-N 2 0 325.541 3.026 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001230334202 1376000535 /nfs/dbraw/zinc/00/05/35/1376000535.db2.gz LNLQUGUFQMJUPM-IKSUFZCESA-N 2 0 335.536 3.186 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230359901 1376007757 /nfs/dbraw/zinc/00/77/57/1376007757.db2.gz KSOLEQCVNCWYOY-SFHVURJKSA-N 2 0 343.515 3.204 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378012 1376011260 /nfs/dbraw/zinc/01/12/60/1376011260.db2.gz IBFNSUFEQZFGIK-YJJPMGAVSA-N 2 0 349.563 3.434 20 0 EGADRP CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592032 1376090043 /nfs/dbraw/zinc/09/00/43/1376090043.db2.gz QCJNWGAPPFMTTK-PRPIBZDOSA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230621945 1376105269 /nfs/dbraw/zinc/10/52/69/1376105269.db2.gz JCIAJNXKNJCDLH-YADGQWAMSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2ccnc2)CC1 ZINC001230627693 1376106534 /nfs/dbraw/zinc/10/65/34/1376106534.db2.gz DVHPXZMKJFXDSL-LJQANCHMSA-N 2 0 346.519 3.022 20 0 EGADRP C[N@H+](CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)CC(C)(C)C ZINC001133899591 1376255697 /nfs/dbraw/zinc/25/56/97/1376255697.db2.gz NSEDXYKIJJWZIQ-UHFFFAOYSA-N 2 0 347.547 3.168 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1coc(-c2ccccc2)n1 ZINC001231632120 1376286927 /nfs/dbraw/zinc/28/69/27/1376286927.db2.gz WZUSNGOWLDDYHH-UHFFFAOYSA-N 2 0 344.503 3.047 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl)[NH+](C)C ZINC001133963152 1376287244 /nfs/dbraw/zinc/28/72/44/1376287244.db2.gz QRGRTMDEIGMAGD-NHYWBVRUSA-N 2 0 346.302 3.100 20 0 EGADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001133968097 1376289558 /nfs/dbraw/zinc/28/95/58/1376289558.db2.gz NMKXIYHEZREUFS-ABAIWWIYSA-N 2 0 346.302 3.100 20 0 EGADRP CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232012711 1376381067 /nfs/dbraw/zinc/38/10/67/1376381067.db2.gz OOBLZVGIAKQBKG-UHFFFAOYSA-N 2 0 342.443 3.006 20 0 EGADRP O=C1Nc2ccccc2CN1[C@H]1CCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018609 1376386069 /nfs/dbraw/zinc/38/60/69/1376386069.db2.gz NVWWUDYXOJPISH-KRWDZBQOSA-N 2 0 347.422 3.185 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232138849 1376406801 /nfs/dbraw/zinc/40/68/01/1376406801.db2.gz JCRBSCZYTOPSJR-UHFFFAOYSA-N 2 0 328.460 3.289 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC001232145420 1376409107 /nfs/dbraw/zinc/40/91/07/1376409107.db2.gz RYYHBLODGKNUKZ-UHFFFAOYSA-N 2 0 333.495 3.338 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(O)c3ncccc23)CC1 ZINC001232278130 1376430321 /nfs/dbraw/zinc/43/03/21/1376430321.db2.gz AFYMPZYDILVFBE-UHFFFAOYSA-N 2 0 327.472 3.493 20 0 EGADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)cc1Cl ZINC001232374706 1376452691 /nfs/dbraw/zinc/45/26/91/1376452691.db2.gz YEYYOBWAOCPMPA-UHFFFAOYSA-N 2 0 338.879 3.275 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1nc2ccccc2o1 ZINC001232558186 1376480570 /nfs/dbraw/zinc/48/05/70/1376480570.db2.gz FBQAFISRKNLNEE-UHFFFAOYSA-N 2 0 346.519 3.313 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001232597959 1376486219 /nfs/dbraw/zinc/48/62/19/1376486219.db2.gz PWOHCBOZEDWLTO-UHFFFAOYSA-N 2 0 332.879 3.299 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584704 1376607805 /nfs/dbraw/zinc/60/78/05/1376607805.db2.gz WGHYDIMFWBREJX-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584188 1376608541 /nfs/dbraw/zinc/60/85/41/1376608541.db2.gz RMMKOLOTAXIQLB-DLBZAZTESA-N 2 0 335.536 3.234 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001134584437 1376608634 /nfs/dbraw/zinc/60/86/34/1376608634.db2.gz UQRVNDQPOWKHJF-LPUZSPFPSA-N 2 0 343.515 3.057 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134607179 1376622604 /nfs/dbraw/zinc/62/26/04/1376622604.db2.gz FGOSXGYUCAULCH-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728956 1376682460 /nfs/dbraw/zinc/68/24/60/1376682460.db2.gz DXFOOKSBXBPGJX-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)[NH+]1CCCCCC1 ZINC001134756495 1376703013 /nfs/dbraw/zinc/70/30/13/1376703013.db2.gz GFNYETOWGLVUDC-QGZVFWFLSA-N 2 0 343.515 3.034 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001134774293 1376713456 /nfs/dbraw/zinc/71/34/56/1376713456.db2.gz XFOPCVXUXXKFFV-IRXDYDNUSA-N 2 0 333.520 3.098 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001134773393 1376713658 /nfs/dbraw/zinc/71/36/58/1376713658.db2.gz OHRJFDCCWFNADG-MSOLQXFVSA-N 2 0 347.547 3.407 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134781998 1376717084 /nfs/dbraw/zinc/71/70/84/1376717084.db2.gz CIQOOTLPHVKFTG-DFOOCIKTSA-N 2 0 346.519 3.137 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858510 1376757420 /nfs/dbraw/zinc/75/74/20/1376757420.db2.gz VFPOJJVLNWJKFN-IRXDYDNUSA-N 2 0 347.547 3.068 20 0 EGADRP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323913 1376811343 /nfs/dbraw/zinc/81/13/43/1376811343.db2.gz WDCXCKFHMPLBIT-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994667 1376833013 /nfs/dbraw/zinc/83/30/13/1376833013.db2.gz VEQATPNLHDCMMJ-HOTGVXAUSA-N 2 0 336.439 3.021 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994536 1376833667 /nfs/dbraw/zinc/83/36/67/1376833667.db2.gz SFRGQRLSRLEQAD-HUUCEWRRSA-N 2 0 330.476 3.257 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999100 1376836037 /nfs/dbraw/zinc/83/60/37/1376836037.db2.gz NVCRJKCPNOLNBQ-HOTGVXAUSA-N 2 0 342.487 3.401 20 0 EGADRP COc1ccc2nccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235427634 1376870755 /nfs/dbraw/zinc/87/07/55/1376870755.db2.gz MTBXDXNYWQGGRS-DLBZAZTESA-N 2 0 339.483 3.455 20 0 EGADRP COc1cc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429857 1376871475 /nfs/dbraw/zinc/87/14/75/1376871475.db2.gz RTSIIIWAVCSHGE-GJZGRUSLSA-N 2 0 336.451 3.055 20 0 EGADRP Clc1cccc2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC001235430061 1376872692 /nfs/dbraw/zinc/87/26/92/1376872692.db2.gz WGSLEPNTMYAMIZ-LSDHHAIUSA-N 2 0 332.879 3.199 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101750 1376899207 /nfs/dbraw/zinc/89/92/07/1376899207.db2.gz QTXXOXZNVOYPBC-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CCC1CC1 ZINC001135101919 1376899265 /nfs/dbraw/zinc/89/92/65/1376899265.db2.gz TYWYOHVIHWNMAI-SJORKVTESA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102200 1376900112 /nfs/dbraw/zinc/90/01/12/1376900112.db2.gz YLSDHQHQCMPWSW-DLBZAZTESA-N 2 0 333.520 3.077 20 0 EGADRP CC(C)(C)c1ccc(C[NH+]2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235847658 1376900695 /nfs/dbraw/zinc/90/06/95/1376900695.db2.gz LFQNTYQEZDVFHF-IBGZPJMESA-N 2 0 329.532 3.101 20 0 EGADRP CCCCN(c1ccccc1)c1ccc(CN(CC[NH3+])CC[NH3+])cc1 ZINC001235881014 1376908143 /nfs/dbraw/zinc/90/81/43/1376908143.db2.gz STEPJHIUCTUGTB-UHFFFAOYSA-N 2 0 340.515 3.344 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2)cc1 ZINC001235883810 1376909725 /nfs/dbraw/zinc/90/97/25/1376909725.db2.gz PSZHWPDKQMQEFB-IFMALSPDSA-N 3 0 341.543 3.363 20 0 EGADRP CN(C[C@@H]1CCC[NH2+]C1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001235923875 1376918786 /nfs/dbraw/zinc/91/87/86/1376918786.db2.gz NYKUTQLVIOHGIL-LJQANCHMSA-N 2 0 349.522 3.392 20 0 EGADRP c1ccc(CN(C[C@@H]2CC[NH2+]2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235947338 1376922870 /nfs/dbraw/zinc/92/28/70/1376922870.db2.gz AGTDUCWCLFAOFL-FCHUYYIVSA-N 2 0 335.495 3.125 20 0 EGADRP COc1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc2c1NC(C)(C)C=C2 ZINC001236006101 1376925039 /nfs/dbraw/zinc/92/50/39/1376925039.db2.gz NIBATTMKVZVNFF-UHFFFAOYSA-N 2 0 341.499 3.488 20 0 EGADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccccc3-c3cccs3)C2)C1 ZINC001236077479 1376931752 /nfs/dbraw/zinc/93/17/52/1376931752.db2.gz IDEWMDSENNQUON-KRWDZBQOSA-N 2 0 327.497 3.022 20 0 EGADRP COCOc1ccc(F)cc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001236076747 1376932484 /nfs/dbraw/zinc/93/24/84/1376932484.db2.gz VESMGDMNUSYDPL-UHFFFAOYSA-N 2 0 344.430 3.399 20 0 EGADRP CCC[N@H+](Cc1ccc(Br)c(OC)c1)C1CC[NH2+]CC1 ZINC001236181721 1376939700 /nfs/dbraw/zinc/93/97/00/1376939700.db2.gz BZNUOLYQHMYCSZ-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP CCC[N@H+](Cc1cc(OC(F)(F)F)ccc1N)C1CC[NH2+]CC1 ZINC001236183221 1376939731 /nfs/dbraw/zinc/93/97/31/1376939731.db2.gz ZMFHBQROOOLDOF-UHFFFAOYSA-N 2 0 331.382 3.131 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1CCCC1 ZINC001135180490 1376952980 /nfs/dbraw/zinc/95/29/80/1376952980.db2.gz HZASKWLQBZFWOW-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001135181177 1376953539 /nfs/dbraw/zinc/95/35/39/1376953539.db2.gz MRRYLLPMGWXWMV-CVEARBPZSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[NH2+]C[C@@H]3C(F)(F)F)cc21 ZINC001236981314 1376969408 /nfs/dbraw/zinc/96/94/08/1376969408.db2.gz MYAZYFRWHLBOQW-MRXNPFEDSA-N 2 0 339.405 3.024 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135297806 1377026565 /nfs/dbraw/zinc/02/65/65/1377026565.db2.gz HRXNQLLNWMVCBZ-HZPDHXFCSA-N 2 0 349.519 3.408 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001135299330 1377027112 /nfs/dbraw/zinc/02/71/12/1377027112.db2.gz WDZQHXAQZPIMJC-ZWKOTPCHSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1occc1C[NH+](C)C ZINC001135299341 1377027253 /nfs/dbraw/zinc/02/72/53/1377027253.db2.gz WGKGHVZZJJAFFZ-HUUCEWRRSA-N 2 0 349.519 3.264 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001135307306 1377029239 /nfs/dbraw/zinc/02/92/39/1377029239.db2.gz BZUAEPVQJHPTOV-HOTGVXAUSA-N 2 0 347.503 3.328 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001245337093 1377046190 /nfs/dbraw/zinc/04/61/90/1377046190.db2.gz UYPHLBWMKUTOEU-UHFFFAOYSA-N 2 0 339.483 3.094 20 0 EGADRP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(CC3CC3)CC[NH2+]CC2)cc1 ZINC001246380959 1377051725 /nfs/dbraw/zinc/05/17/25/1377051725.db2.gz LGOIMMNLFAFBQJ-MRXNPFEDSA-N 2 0 344.499 3.306 20 0 EGADRP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542529 1377052676 /nfs/dbraw/zinc/05/26/76/1377052676.db2.gz QEJSDWAUDAJSCQ-GZBFAFLISA-N 2 0 325.294 3.297 20 0 EGADRP c1ccc(C[C@@H]2C[NH2+]CCN2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001246821844 1377055202 /nfs/dbraw/zinc/05/52/02/1377055202.db2.gz ZVCADVJYEDKJPO-HSZRJFAPSA-N 2 0 349.522 3.168 20 0 EGADRP Fc1ccccc1CN([C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001246938542 1377055583 /nfs/dbraw/zinc/05/55/83/1377055583.db2.gz OVQAVRKNDXIKDV-ZSYWTGECSA-N 2 0 331.479 3.053 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001135440405 1377098519 /nfs/dbraw/zinc/09/85/19/1377098519.db2.gz LUOJAOZKDSTGBH-MRXNPFEDSA-N 2 0 337.483 3.105 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001135440569 1377098555 /nfs/dbraw/zinc/09/85/55/1377098555.db2.gz ODDFMGUNUKOPJX-IBGZPJMESA-N 2 0 333.520 3.356 20 0 EGADRP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254509585 1377105458 /nfs/dbraw/zinc/10/54/58/1377105458.db2.gz PDFSKBTWZLXOTJ-BBRMVZONSA-N 2 0 325.294 3.454 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)C(C)C ZINC001135474083 1377110047 /nfs/dbraw/zinc/11/00/47/1377110047.db2.gz GOBXETMUAFIAGD-UXHICEINSA-N 2 0 345.531 3.136 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)c1ccccc1 ZINC001135474296 1377110079 /nfs/dbraw/zinc/11/00/79/1377110079.db2.gz MONYUHUSZVXEHG-MOPGFXCFSA-N 2 0 333.520 3.210 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481226 1377114066 /nfs/dbraw/zinc/11/40/66/1377114066.db2.gz ROTFXWSJYQKVEJ-MOPGFXCFSA-N 2 0 347.547 3.224 20 0 EGADRP CCCC[C@@H](Cc1ccccc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001258701651 1377119342 /nfs/dbraw/zinc/11/93/42/1377119342.db2.gz LNDVETWYXKPIFJ-FQEVSTJZSA-N 2 0 331.548 3.404 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614049 1377162290 /nfs/dbraw/zinc/16/22/90/1377162290.db2.gz LRRZGWGNLJXYSC-DLBZAZTESA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614569 1377162345 /nfs/dbraw/zinc/16/23/45/1377162345.db2.gz WIMRDVRKLUSUCZ-BTFXCVNISA-N 2 0 337.552 3.338 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135743353 1377199256 /nfs/dbraw/zinc/19/92/56/1377199256.db2.gz IZXHFVAXMCMTGB-QWHCGFSZSA-N 2 0 345.940 3.116 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135746984 1377200745 /nfs/dbraw/zinc/20/07/45/1377200745.db2.gz MDJDYFWORUFXQV-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001266143907 1377205855 /nfs/dbraw/zinc/20/58/55/1377205855.db2.gz JHEBSMQJEROJJH-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135769003 1377206978 /nfs/dbraw/zinc/20/69/78/1377206978.db2.gz VPFHOQYWICGBKH-YZBXUTEPSA-N 2 0 337.552 3.338 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001266195800 1377222685 /nfs/dbraw/zinc/22/26/85/1377222685.db2.gz ZUTNTQSBJNLOAY-XLIONFOSSA-N 2 0 345.531 3.319 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001266195624 1377222722 /nfs/dbraw/zinc/22/27/22/1377222722.db2.gz XGWCFLIYQFOGEL-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135861655 1377238667 /nfs/dbraw/zinc/23/86/67/1377238667.db2.gz VCPXUNMGQLVXKB-QZTJIDSGSA-N 2 0 333.520 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135861950 1377238746 /nfs/dbraw/zinc/23/87/46/1377238746.db2.gz ZNGCZKSKOSEDPO-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001135908289 1377258097 /nfs/dbraw/zinc/25/80/97/1377258097.db2.gz WDDIKTQKHFOHGX-QZTJIDSGSA-N 2 0 327.557 3.418 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266304130 1377264068 /nfs/dbraw/zinc/26/40/68/1377264068.db2.gz JCMKQJKMAVTZRI-SFHVURJKSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944571 1377272411 /nfs/dbraw/zinc/27/24/11/1377272411.db2.gz MBWVLORXFBJOHZ-GJZGRUSLSA-N 2 0 346.519 3.070 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001266328020 1377274818 /nfs/dbraw/zinc/27/48/18/1377274818.db2.gz QXHRPHRQCLTXLN-GOSISDBHSA-N 2 0 343.515 3.030 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001135974608 1377283498 /nfs/dbraw/zinc/28/34/98/1377283498.db2.gz RWOPSVBCRSQZIH-HHPZPRIESA-N 2 0 345.531 3.305 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135975692 1377283654 /nfs/dbraw/zinc/28/36/54/1377283654.db2.gz ARUSXAAYVMPFOV-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1CC ZINC001135978978 1377285092 /nfs/dbraw/zinc/28/50/92/1377285092.db2.gz AGOOXONWJLRLKR-ZWKOTPCHSA-N 2 0 347.547 3.006 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266634959 1377354528 /nfs/dbraw/zinc/35/45/28/1377354528.db2.gz NEGJDSPBPANFOI-BJLQDIEVSA-N 2 0 345.531 3.133 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001267090237 1377411877 /nfs/dbraw/zinc/41/18/77/1377411877.db2.gz HZCSTEZSCFPDKV-VQTJNVASSA-N 2 0 345.531 3.244 20 0 EGADRP CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001267603975 1377463326 /nfs/dbraw/zinc/46/33/26/1377463326.db2.gz BWMXCUQDMRKSRH-HKUYNNGSSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C(C)C)c1 ZINC001268219400 1377496757 /nfs/dbraw/zinc/49/67/57/1377496757.db2.gz NCYSSEXJRYXBON-MJGOQNOKSA-N 2 0 345.531 3.128 20 0 EGADRP Cc1csc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1Cl ZINC001137291283 1377511379 /nfs/dbraw/zinc/51/13/79/1377511379.db2.gz LZPGLDZBTKJIAB-UHFFFAOYSA-N 2 0 331.957 3.415 20 0 EGADRP C[NH+]1CCC2(CN(Cc3ccc(F)cc3Br)C2)CC1 ZINC001137550286 1377564961 /nfs/dbraw/zinc/56/49/61/1377564961.db2.gz RCLITDUFPZKRLX-UHFFFAOYSA-N 2 0 327.241 3.116 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)cc1 ZINC001138772189 1377782444 /nfs/dbraw/zinc/78/24/44/1377782444.db2.gz TVWWGNOYVJPYNA-NRFANRHFSA-N 2 0 346.515 3.408 20 0 EGADRP CCN(CCC[NH+](C)C)Cc1ccc(OC(F)(F)F)cc1OC ZINC001138850439 1377794788 /nfs/dbraw/zinc/79/47/88/1377794788.db2.gz DNHMYBJZLFCKEM-UHFFFAOYSA-N 2 0 334.382 3.367 20 0 EGADRP COc1cc(OC(F)(F)F)ccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001138851040 1377794869 /nfs/dbraw/zinc/79/48/69/1377794869.db2.gz POGMRRUNIXJHTK-UHFFFAOYSA-N 2 0 344.377 3.121 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)cnc1Cl)CC2 ZINC001138945501 1377806533 /nfs/dbraw/zinc/80/65/33/1377806533.db2.gz FAULIEUKDFBEOD-UHFFFAOYSA-N 2 0 344.684 3.025 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3cc4cc(Br)ccc4[nH]3)C2)CC1 ZINC001139184446 1377845807 /nfs/dbraw/zinc/84/58/07/1377845807.db2.gz BZSFZQHPUAPZFQ-UHFFFAOYSA-N 2 0 348.288 3.458 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cnc(N)s1)CC2 ZINC001139226427 1377856427 /nfs/dbraw/zinc/85/64/27/1377856427.db2.gz UZSYOYBYZKWINI-INIZCTEOSA-N 2 0 346.500 3.195 20 0 EGADRP CCCN(CCC[NH+](C)C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC001139400808 1377878934 /nfs/dbraw/zinc/87/89/34/1377878934.db2.gz IKLFYOSHHDZNSP-UHFFFAOYSA-N 2 0 331.460 3.118 20 0 EGADRP CC[N@H+](C)C1CCN(Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139542204 1377901565 /nfs/dbraw/zinc/90/15/65/1377901565.db2.gz GONIBGQZMNTTJA-UHFFFAOYSA-N 2 0 340.393 3.498 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc(Cl)ccn1 ZINC001139565630 1377909500 /nfs/dbraw/zinc/90/95/00/1377909500.db2.gz FFEQAQUCKQINDS-UHFFFAOYSA-N 2 0 340.943 3.221 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001139882597 1377971704 /nfs/dbraw/zinc/97/17/04/1377971704.db2.gz PQPPFOKKTNUSAT-UHFFFAOYSA-N 2 0 329.532 3.414 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(Cc3csc4ccccc34)CC2)CC1 ZINC001140640009 1378102730 /nfs/dbraw/zinc/10/27/30/1378102730.db2.gz XOTSLOYMWFBGOB-UHFFFAOYSA-N 2 0 343.540 3.361 20 0 EGADRP COC(=O)Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001140654456 1378106437 /nfs/dbraw/zinc/10/64/37/1378106437.db2.gz KBNSSXZLPXMNEL-VQTJNVASSA-N 2 0 344.499 3.241 20 0 EGADRP Cn1cnc2ccc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)cc21 ZINC001140745780 1378128589 /nfs/dbraw/zinc/12/85/89/1378128589.db2.gz BWMZGTVQBHKSQM-UHFFFAOYSA-N 2 0 326.488 3.127 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(Br)ccn2)CC1 ZINC001140765187 1378133173 /nfs/dbraw/zinc/13/31/73/1378133173.db2.gz OYXULNRPLBXVRQ-UHFFFAOYSA-N 2 0 340.309 3.396 20 0 EGADRP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275165513 1378136003 /nfs/dbraw/zinc/13/60/03/1378136003.db2.gz GJIZKCORLGIDJF-INIZCTEOSA-N 2 0 335.458 3.069 20 0 EGADRP Cc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC001140799634 1378139845 /nfs/dbraw/zinc/13/98/45/1378139845.db2.gz KDWVVAQCVFDNEA-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP COc1cc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(OC)cc1C ZINC001275582332 1378144615 /nfs/dbraw/zinc/14/46/15/1378144615.db2.gz NBBWENYUBYFGRP-HXUWFJFHSA-N 2 0 332.488 3.320 20 0 EGADRP c1cn(CC[N@@H+]2CCC[C@]3(CCCN(Cc4ccsc4)C3)C2)cn1 ZINC001275866998 1378160204 /nfs/dbraw/zinc/16/02/04/1378160204.db2.gz WOXDRSLTYSHDQH-IBGZPJMESA-N 2 0 344.528 3.323 20 0 EGADRP CS[C@H](C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(=O)[nH]3)(C1)CCC2 ZINC001276470944 1378174358 /nfs/dbraw/zinc/17/43/58/1378174358.db2.gz UWRYOXMLCJSAGD-AYOQOUSVSA-N 2 0 349.544 3.453 20 0 EGADRP CC[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)[NH+](CC)CC ZINC001140895872 1378175172 /nfs/dbraw/zinc/17/51/72/1378175172.db2.gz HKYUAWPNFODAEF-QUCCMNQESA-N 2 0 345.531 3.087 20 0 EGADRP C[N@@H+]1CCC2(C1)CCN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)CC2 ZINC001276491896 1378175874 /nfs/dbraw/zinc/17/58/74/1378175874.db2.gz ODKSVWNNJGGEHH-NRFANRHFSA-N 2 0 341.543 3.459 20 0 EGADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(Br)c3)C[C@H]2CC1 ZINC001276837287 1378188363 /nfs/dbraw/zinc/18/83/63/1378188363.db2.gz IAYOFESQBBKSLK-OKILXGFUSA-N 2 0 341.268 3.362 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277423504 1378222840 /nfs/dbraw/zinc/22/28/40/1378222840.db2.gz QKGKHKOOPABBQD-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP CCCC[C@@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](CCNC(C)=O)CC2 ZINC001277905964 1378250946 /nfs/dbraw/zinc/25/09/46/1378250946.db2.gz PDIDCGSUQHWQOU-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CCCC[C@@H](CC)C[NH2+][C@@]12CC[C@@]([NH2+]CCNC(C)=O)(C1)CCC2 ZINC001277906129 1378251185 /nfs/dbraw/zinc/25/11/85/1378251185.db2.gz RYRRPVLQBCIEEA-AQNXPRMDSA-N 2 0 337.552 3.364 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CC[C@@H](C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001278131919 1378258856 /nfs/dbraw/zinc/25/88/56/1378258856.db2.gz NUBMTGGYBLUNJW-QZTJIDSGSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(Cl)ccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001141231443 1378277516 /nfs/dbraw/zinc/27/75/16/1378277516.db2.gz PTIPOTJZPYCQAB-UHFFFAOYSA-N 2 0 325.928 3.354 20 0 EGADRP Cc1cc(Cl)ccc1CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001141233374 1378278984 /nfs/dbraw/zinc/27/89/84/1378278984.db2.gz PHNBSMYGQHKMJA-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnc(C(F)(F)F)nc2)CC1 ZINC001141459976 1378329500 /nfs/dbraw/zinc/32/95/00/1378329500.db2.gz DBGACBOUFCINSV-UHFFFAOYSA-N 2 0 330.398 3.048 20 0 EGADRP CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001142070483 1378410344 /nfs/dbraw/zinc/41/03/44/1378410344.db2.gz QKIJQZYLBLOBAP-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)C2([NH+](C)C)CCCC2)[NH+]2CCCC2)cc1 ZINC001142708657 1378480303 /nfs/dbraw/zinc/48/03/03/1378480303.db2.gz JUMLUTYWFNCBGG-LJQANCHMSA-N 2 0 343.515 3.123 20 0 EGADRP COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001142906792 1378508098 /nfs/dbraw/zinc/50/80/98/1378508098.db2.gz XBZIVQHKRYSGIS-HXUWFJFHSA-N 2 0 344.499 3.243 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccccc1C ZINC001282678363 1378550286 /nfs/dbraw/zinc/55/02/86/1378550286.db2.gz RJFZYXOKWAMTHY-HXUWFJFHSA-N 2 0 345.531 3.198 20 0 EGADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001282724580 1378578336 /nfs/dbraw/zinc/57/83/36/1378578336.db2.gz IRSVRGDZDLAQKV-LXPRWKDFSA-N 2 0 349.563 3.124 20 0 EGADRP COc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1OC(F)(F)F ZINC001143879326 1378656983 /nfs/dbraw/zinc/65/69/83/1378656983.db2.gz GETDKZNLELALCC-UHFFFAOYSA-N 2 0 344.377 3.121 20 0 EGADRP C[N@@H+](Cc1ccc(O)cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001144265046 1378707122 /nfs/dbraw/zinc/70/71/22/1378707122.db2.gz IXJGRYSHFFVHAF-UHFFFAOYSA-N 2 0 325.456 3.131 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C1CC1)NC(=O)C[NH+]1CCCC1 ZINC001146397386 1378834356 /nfs/dbraw/zinc/83/43/56/1378834356.db2.gz DWEPZLJCJSJFLG-IAGOWNOFSA-N 2 0 343.515 3.033 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583478 1378871155 /nfs/dbraw/zinc/87/11/55/1378871155.db2.gz LNFWVCOJSAGJNX-IRXDYDNUSA-N 2 0 333.520 3.425 20 0 EGADRP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146585483 1378871645 /nfs/dbraw/zinc/87/16/45/1378871645.db2.gz YJFNHDRGJUGTIN-SJORKVTESA-N 2 0 331.504 3.201 20 0 EGADRP Cc1ccc(CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146590806 1378872865 /nfs/dbraw/zinc/87/28/65/1378872865.db2.gz BBOGUEFFQCSVLN-RTBURBONSA-N 2 0 347.547 3.141 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001146593822 1378872973 /nfs/dbraw/zinc/87/29/73/1378872973.db2.gz QLIVWWIJMJJBDY-QZTJIDSGSA-N 2 0 333.520 3.017 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146593847 1378873288 /nfs/dbraw/zinc/87/32/88/1378873288.db2.gz QQISHEBFJLBJSA-QZTJIDSGSA-N 2 0 347.547 3.352 20 0 EGADRP Cc1ccccc1CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146601650 1378875838 /nfs/dbraw/zinc/87/58/38/1378875838.db2.gz NMCHLBRQCDFABE-MOPGFXCFSA-N 2 0 347.547 3.141 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146602358 1378875869 /nfs/dbraw/zinc/87/58/69/1378875869.db2.gz SITYRBUWBOMEFF-IAGOWNOFSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)s1 ZINC001146603341 1378877225 /nfs/dbraw/zinc/87/72/25/1378877225.db2.gz XEALPTAYKPEWGG-KGLIPLIRSA-N 2 0 339.549 3.078 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146609647 1378877655 /nfs/dbraw/zinc/87/76/55/1378877655.db2.gz FTCMHNJYLGRQRI-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1CC ZINC001147359899 1379009054 /nfs/dbraw/zinc/00/90/54/1379009054.db2.gz WDFDDVHBOMRXLT-FQEVSTJZSA-N 2 0 345.531 3.109 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001147359727 1379009331 /nfs/dbraw/zinc/00/93/31/1379009331.db2.gz URHKYPGOYQYZLG-PMACEKPBSA-N 2 0 343.515 3.034 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001147448988 1379022977 /nfs/dbraw/zinc/02/29/77/1379022977.db2.gz CVHXDCLRWXRLKV-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001147449590 1379023141 /nfs/dbraw/zinc/02/31/41/1379023141.db2.gz UUUQKEOQPQZOFK-GOSISDBHSA-N 2 0 333.520 3.356 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147742647 1379070789 /nfs/dbraw/zinc/07/07/89/1379070789.db2.gz MUCYLDUZZDHSLF-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001147835879 1379088476 /nfs/dbraw/zinc/08/84/76/1379088476.db2.gz WDNNKKWBTSNQPK-MOPGFXCFSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284962 1379145876 /nfs/dbraw/zinc/14/58/76/1379145876.db2.gz LBHCSPGZUDMNBB-OEIFXAAASA-N 2 0 349.563 3.388 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](CCCC(C)(C)C)C3)CC1 ZINC001148480986 1379182007 /nfs/dbraw/zinc/18/20/07/1379182007.db2.gz NQZZGLLRURPBAT-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001148577729 1379215942 /nfs/dbraw/zinc/21/59/42/1379215942.db2.gz AIXATCBCKHZJHG-QGZVFWFLSA-N 2 0 347.547 3.483 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCC1)C2 ZINC001148635506 1379232096 /nfs/dbraw/zinc/23/20/96/1379232096.db2.gz JFPPPMVFJJGYQH-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827869 1379277521 /nfs/dbraw/zinc/27/75/21/1379277521.db2.gz PHSPXGZTGKPSCN-PLNGDYQASA-N 2 0 347.547 3.143 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833581 1379279095 /nfs/dbraw/zinc/27/90/95/1379279095.db2.gz AZZFCZBYCILWCQ-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838905 1379279774 /nfs/dbraw/zinc/27/97/74/1379279774.db2.gz HHZYDMRPTTUIBU-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1[nH]c2ccccc2c1C1=CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC001327870258 1388611197 /nfs/dbraw/zinc/61/11/97/1388611197.db2.gz DOAVESGGLZBQGQ-SFHVURJKSA-N 2 0 341.499 3.267 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCC1CCCC1 ZINC001284133121 1379518446 /nfs/dbraw/zinc/51/84/46/1379518446.db2.gz YZOVMRVNZMZCLF-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001152223193 1379889965 /nfs/dbraw/zinc/88/99/65/1379889965.db2.gz IULLMDYZVNNXRF-GOSISDBHSA-N 2 0 345.531 3.453 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152457941 1379936898 /nfs/dbraw/zinc/93/68/98/1379936898.db2.gz JDXIYNKGBQDCJD-FQEVSTJZSA-N 2 0 343.515 3.034 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC001152471627 1379939836 /nfs/dbraw/zinc/93/98/36/1379939836.db2.gz NBRBOMQZVYHMJF-VQIMIIECSA-N 2 0 349.494 3.103 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001153448474 1380078955 /nfs/dbraw/zinc/07/89/55/1380078955.db2.gz YHWCXSZTQZWWLS-IBGZPJMESA-N 2 0 345.531 3.134 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2CCCCC2)CC[N@@H+]1C ZINC001153464162 1380081291 /nfs/dbraw/zinc/08/12/91/1380081291.db2.gz JHAJBLNNWQDYAY-NZSAHSFTSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880058 1380148922 /nfs/dbraw/zinc/14/89/22/1380148922.db2.gz VOPJTQXSRZPBMC-HKVOBHHDSA-N 2 0 337.552 3.434 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880057 1380149036 /nfs/dbraw/zinc/14/90/36/1380149036.db2.gz VOPJTQXSRZPBMC-FAPWYTRCSA-N 2 0 337.552 3.434 20 0 EGADRP CC[N@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034204 1380187002 /nfs/dbraw/zinc/18/70/02/1380187002.db2.gz VODZNJUEPRZVIO-HKCWIBIESA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116328 1380211913 /nfs/dbraw/zinc/21/19/13/1380211913.db2.gz INOONDNEUNFGLS-OAHLLOKOSA-N 2 0 328.460 3.049 20 0 EGADRP CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481300 1380285700 /nfs/dbraw/zinc/28/57/00/1380285700.db2.gz MDVTZSKICIXPFI-IAGOWNOFSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579864 1380308989 /nfs/dbraw/zinc/30/89/89/1380308989.db2.gz IMOKNMVMZYQGMW-QGZVFWFLSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904200 1380374684 /nfs/dbraw/zinc/37/46/84/1380374684.db2.gz PBKHYDIRNUQDGF-BZPDREMPSA-N 2 0 345.531 3.258 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)(C)C)[NH+](CC)CC ZINC001155180913 1380420258 /nfs/dbraw/zinc/42/02/58/1380420258.db2.gz WQJNOEDJHXJIQP-SJORKVTESA-N 2 0 327.557 3.370 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237917 1380428011 /nfs/dbraw/zinc/42/80/11/1380428011.db2.gz PZSLWPYBZLIMOU-APWZRJJASA-N 2 0 343.531 3.216 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254893 1380429276 /nfs/dbraw/zinc/42/92/76/1380429276.db2.gz IDZHFXXREWRAQS-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(Cl)c1)[NH+](C)C ZINC001155289443 1380433936 /nfs/dbraw/zinc/43/39/36/1380433936.db2.gz SQEDOWFERIAEJX-PBHICJAKSA-N 2 0 339.911 3.007 20 0 EGADRP C[C@H]([NH3+])c1ccc2c(ccn2-c2cc(Cl)nc3c2CC[NH2+]C3)c1 ZINC001155348914 1380440550 /nfs/dbraw/zinc/44/05/50/1380440550.db2.gz QAUZGHAAROHZLW-NSHDSACASA-N 2 0 326.831 3.344 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156517133 1380587318 /nfs/dbraw/zinc/58/73/18/1380587318.db2.gz NKZMYLSWXRSSBK-RXQFDZFGSA-N 2 0 325.541 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cc(C)sc1C ZINC001156530663 1380589352 /nfs/dbraw/zinc/58/93/52/1380589352.db2.gz SLINFYGSRZOLDU-CQSZACIVSA-N 2 0 339.549 3.033 20 0 EGADRP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cn1ccnc1C ZINC001156942324 1380735525 /nfs/dbraw/zinc/73/55/25/1380735525.db2.gz LJRICSMSPRLOQF-QGZVFWFLSA-N 2 0 348.535 3.379 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)CC2CCC2)o1 ZINC001157241363 1380821958 /nfs/dbraw/zinc/82/19/58/1380821958.db2.gz KYFOXBOVTTWQMM-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[NH+](C)[C@H]3C2)nc1 ZINC001157281272 1380831317 /nfs/dbraw/zinc/83/13/17/1380831317.db2.gz DZFRGJHXGWWVEL-QRVBRYPASA-N 2 0 328.504 3.159 20 0 EGADRP c1ccc(CN(c2cc(N3CCCC3)cc[nH+]2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001157435478 1380893217 /nfs/dbraw/zinc/89/32/17/1380893217.db2.gz PPTDGPJOUOZALL-HXUWFJFHSA-N 2 0 336.483 3.440 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N[C@@H]3CCCc4cccnc43)c2)CC1 ZINC001157852323 1381051736 /nfs/dbraw/zinc/05/17/36/1381051736.db2.gz SWHZDHPCFAYYJT-GOSISDBHSA-N 2 0 338.455 3.439 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CCCC2)CC[N@@H+]1C ZINC001157977773 1381090993 /nfs/dbraw/zinc/09/09/93/1381090993.db2.gz HTHCWWCKTDSKBK-MISYRCLQSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001158072968 1381121513 /nfs/dbraw/zinc/12/15/13/1381121513.db2.gz FKKIGLRCQNAETK-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP C[NH+](C)Cc1ccnc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])c1 ZINC001158136100 1381138319 /nfs/dbraw/zinc/13/83/19/1381138319.db2.gz CUMUOHLFNHGARS-UHFFFAOYSA-N 2 0 343.862 3.027 20 0 EGADRP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228170 1381167376 /nfs/dbraw/zinc/16/73/76/1381167376.db2.gz XHZHJAHERQQIKG-LJQANCHMSA-N 2 0 342.487 3.307 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001328280701 1388711335 /nfs/dbraw/zinc/71/13/35/1388711335.db2.gz AEAWTLQRUBQCIO-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(Cl)c(C)nc1N(C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001158581374 1381309420 /nfs/dbraw/zinc/30/94/20/1381309420.db2.gz QAJGIHPBBNECGK-UHFFFAOYSA-N 2 0 336.911 3.004 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC(C)C ZINC001158605437 1381315854 /nfs/dbraw/zinc/31/58/54/1381315854.db2.gz YIYGAGZAPRBAHA-LJQANCHMSA-N 2 0 339.568 3.467 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001328281956 1388713675 /nfs/dbraw/zinc/71/36/75/1388713675.db2.gz FEIPJQKKVDEHIL-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751562 1381383247 /nfs/dbraw/zinc/38/32/47/1381383247.db2.gz YKRHTRGNOMZMTL-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)C ZINC001158780937 1381395640 /nfs/dbraw/zinc/39/56/40/1381395640.db2.gz GKUMUQARSIQUKR-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001158786707 1381398389 /nfs/dbraw/zinc/39/83/89/1381398389.db2.gz GHJLKVBXFOQRON-GOSISDBHSA-N 2 0 325.541 3.077 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2cccc(OCC[NH3+])c2)C1 ZINC001159389587 1381783197 /nfs/dbraw/zinc/78/31/97/1381783197.db2.gz KYSPXEHUZUHJEQ-ARFHVFGLSA-N 2 0 340.471 3.394 20 0 EGADRP Cc1ccc(-c2csc3ncnc(N[C@@H]([NH3+])CCC[NH3+])c23)cc1 ZINC001159784040 1381899058 /nfs/dbraw/zinc/89/90/58/1381899058.db2.gz GMHAFNNBFBHSLJ-CQSZACIVSA-N 2 0 327.457 3.102 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])NC(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001159785313 1381899065 /nfs/dbraw/zinc/89/90/65/1381899065.db2.gz OUBRMDBBFBNFGB-CYBMUJFWSA-N 2 0 349.212 3.204 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(C[NH3+])ncn3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001159887778 1381928782 /nfs/dbraw/zinc/92/87/82/1381928782.db2.gz VBLHDBHEKLDYKD-UEFGCPDKSA-N 2 0 345.535 3.306 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909187 1381934068 /nfs/dbraw/zinc/93/40/68/1381934068.db2.gz KYUYQXIXEWWXKN-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159923408 1381938683 /nfs/dbraw/zinc/93/86/83/1381938683.db2.gz FBJANZYTMBSPLX-LJQANCHMSA-N 2 0 335.536 3.070 20 0 EGADRP Brc1ccc(Nc2ccc3c(c2)C[NH2+]C3)c2c1CC[NH2+]C2 ZINC001159941684 1381943277 /nfs/dbraw/zinc/94/32/77/1381943277.db2.gz JNBOUWQILNZSEI-UHFFFAOYSA-N 2 0 344.256 3.442 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160273101 1382058385 /nfs/dbraw/zinc/05/83/85/1382058385.db2.gz HOANEWBKAJPNSW-LJQANCHMSA-N 2 0 345.531 3.280 20 0 EGADRP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160285553 1382061068 /nfs/dbraw/zinc/06/10/68/1382061068.db2.gz HKTJVSPYCGSMBD-XJDXJNMNSA-N 2 0 347.547 3.356 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160290848 1382062992 /nfs/dbraw/zinc/06/29/92/1382062992.db2.gz ANQPKLCXSLXWOP-UHFFFAOYSA-N 2 0 349.544 3.218 20 0 EGADRP c1ccc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c(CN2CC[NH2+]CC2)c1 ZINC001160298803 1382065906 /nfs/dbraw/zinc/06/59/06/1382065906.db2.gz JDNXNJOGYNHLGT-HXUWFJFHSA-N 2 0 336.483 3.260 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)C1 ZINC001160369230 1382086128 /nfs/dbraw/zinc/08/61/28/1382086128.db2.gz VKSSBZJCKUFFKM-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1)C1CCC1 ZINC001160379251 1382087520 /nfs/dbraw/zinc/08/75/20/1382087520.db2.gz FQWMIEWJLRXATQ-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160386242 1382090132 /nfs/dbraw/zinc/09/01/32/1382090132.db2.gz OUYXXSWRDIIIOB-UHFFFAOYSA-N 2 0 335.536 3.189 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467890 1382114324 /nfs/dbraw/zinc/11/43/24/1382114324.db2.gz YPMUQGWWMDQLSK-UXHICEINSA-N 2 0 345.531 3.108 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001160478872 1382117859 /nfs/dbraw/zinc/11/78/59/1382117859.db2.gz BYDIACHIFIYMJA-LJQANCHMSA-N 2 0 335.536 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001160499642 1382124563 /nfs/dbraw/zinc/12/45/63/1382124563.db2.gz FVDYYEHCSJNIMW-LJQANCHMSA-N 2 0 347.547 3.045 20 0 EGADRP Cc1ccc2c(c1)nc(Cl)cc2N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160514407 1382127521 /nfs/dbraw/zinc/12/75/21/1382127521.db2.gz WLQSVFPAZGXXMK-GOSISDBHSA-N 2 0 330.863 3.032 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804424 1382201777 /nfs/dbraw/zinc/20/17/77/1382201777.db2.gz KPVHUAPLOWEJBB-GOSISDBHSA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856935 1382217678 /nfs/dbraw/zinc/21/76/78/1382217678.db2.gz SFPDLCHVQUCUGW-AATRIKPKSA-N 2 0 347.547 3.356 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001160883866 1382223530 /nfs/dbraw/zinc/22/35/30/1382223530.db2.gz WZWXUQXMWIAOFV-VQIMIIECSA-N 2 0 333.520 3.307 20 0 EGADRP CC(C)(C)[C@H](C[NH3+])Nc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001160913279 1382232093 /nfs/dbraw/zinc/23/20/93/1382232093.db2.gz LBWFWDOLRYUTHL-IBGZPJMESA-N 2 0 338.499 3.425 20 0 EGADRP Cc1cccc2c(Cl)nnc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c12 ZINC001160946227 1382246931 /nfs/dbraw/zinc/24/69/31/1382246931.db2.gz WQCZSLVLIPTDFF-UHFFFAOYSA-N 2 0 337.814 3.432 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc1 ZINC001160952362 1382249020 /nfs/dbraw/zinc/24/90/20/1382249020.db2.gz XJKRIBXUZZOXKC-LJQANCHMSA-N 3 0 349.482 3.469 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCC2=CC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001161008653 1382270020 /nfs/dbraw/zinc/27/00/20/1382270020.db2.gz URMSJQFGSFWAQI-HKUYNNGSSA-N 2 0 349.563 3.291 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161206344 1382340819 /nfs/dbraw/zinc/34/08/19/1382340819.db2.gz ITDALNGOQDITNG-GOSISDBHSA-N 2 0 347.547 3.189 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161219957 1382347348 /nfs/dbraw/zinc/34/73/48/1382347348.db2.gz RWLOEUCPOOBLPN-ZMBJWTFHSA-N 2 0 347.547 3.213 20 0 EGADRP CC(C)(C)CN(C(=O)c1cccc([C@@H]2CCC[NH2+]2)c1)C1CC[NH2+]CC1 ZINC001161260040 1382355859 /nfs/dbraw/zinc/35/58/59/1382355859.db2.gz GZFFAGHEDBKGIB-IBGZPJMESA-N 2 0 343.515 3.351 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)C(C)C ZINC001161490894 1382420939 /nfs/dbraw/zinc/42/09/39/1382420939.db2.gz ALNLMHCMVVPWCF-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)C(C)C ZINC001161491681 1382421790 /nfs/dbraw/zinc/42/17/90/1382421790.db2.gz LJCVGTLBVAADPG-HXUWFJFHSA-N 2 0 349.563 3.291 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001161525263 1382430498 /nfs/dbraw/zinc/43/04/98/1382430498.db2.gz ZQCHJCLTPKMKHD-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP [NH3+][C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCCC1 ZINC001328594037 1388786156 /nfs/dbraw/zinc/78/61/56/1388786156.db2.gz RYRMVHUJLWOSSR-GOSISDBHSA-N 2 0 347.528 3.082 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001161645121 1382468376 /nfs/dbraw/zinc/46/83/76/1382468376.db2.gz YQJYKNPONLVRRR-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001161649284 1382470202 /nfs/dbraw/zinc/47/02/02/1382470202.db2.gz AXZIJWJEWZZRBL-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001161863644 1382533702 /nfs/dbraw/zinc/53/37/02/1382533702.db2.gz MQKQBGCOGUYQCZ-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP CC(C)(C)CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161931343 1382559164 /nfs/dbraw/zinc/55/91/64/1382559164.db2.gz MHJDYHAMSNKYBD-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953009 1382569652 /nfs/dbraw/zinc/56/96/52/1382569652.db2.gz OKEOERNUJGBMAG-MJGOQNOKSA-N 2 0 335.536 3.045 20 0 EGADRP CC1(C)C[NH2+]C[C@H](CNc2[nH+]c(N3CCCC3)cc3ccccc32)O1 ZINC001161956279 1382571167 /nfs/dbraw/zinc/57/11/67/1382571167.db2.gz IGCBPALJUFRVMY-MRXNPFEDSA-N 2 0 340.471 3.014 20 0 EGADRP COc1cccc(CC2([NH3+])CCN(c3cc(C)c(C)c[nH+]3)CC2)c1 ZINC001162048855 1382613615 /nfs/dbraw/zinc/61/36/15/1382613615.db2.gz CFCZDUDWRBUMDV-UHFFFAOYSA-N 2 0 325.456 3.247 20 0 EGADRP CC[C@@H](C)c1nc(Cl)c(C)c(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162294427 1382723486 /nfs/dbraw/zinc/72/34/86/1382723486.db2.gz IXBZYNWDWYDBMG-GFCCVEGCSA-N 2 0 327.904 3.082 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162404307 1382748959 /nfs/dbraw/zinc/74/89/59/1382748959.db2.gz KJBOSLMRYWLUBD-CHWSQXEVSA-N 2 0 326.282 3.193 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001162617589 1382811290 /nfs/dbraw/zinc/81/12/90/1382811290.db2.gz NQQSVWDTPDVIFL-MRXNPFEDSA-N 2 0 336.439 3.113 20 0 EGADRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc[nH+]c2cc(C)ccc12 ZINC001162738459 1382853259 /nfs/dbraw/zinc/85/32/59/1382853259.db2.gz BWMIRPYJFXWEET-GOSISDBHSA-N 2 0 329.444 3.086 20 0 EGADRP CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906783 1382911851 /nfs/dbraw/zinc/91/18/51/1382911851.db2.gz RCMAOTMTWDTPPJ-UHFFFAOYSA-N 2 0 347.547 3.179 20 0 EGADRP c1cc2n(c1)C[C@H](CCNc1cc[nH+]c(N3CCCCC3)c1)C[NH2+]C2 ZINC001163060461 1382958136 /nfs/dbraw/zinc/95/81/36/1382958136.db2.gz NAEIQEVUFRYEAP-QGZVFWFLSA-N 2 0 339.487 3.095 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)nc2cc(OC)ccc21 ZINC001163126330 1382970571 /nfs/dbraw/zinc/97/05/71/1382970571.db2.gz QVWXLBXAOZKJDW-UHFFFAOYSA-N 2 0 349.866 3.175 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163332461 1383024550 /nfs/dbraw/zinc/02/45/50/1383024550.db2.gz JWXNTFGKTZRIKM-CTNGQTDRSA-N 2 0 343.515 3.304 20 0 EGADRP C[C@@H]1CCCCN1c1cccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]1 ZINC001163644967 1383094120 /nfs/dbraw/zinc/09/41/20/1383094120.db2.gz OSHNJHAZOQDNKQ-FUHIMQAGSA-N 2 0 344.503 3.174 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC001163822216 1383125840 /nfs/dbraw/zinc/12/58/40/1383125840.db2.gz VSBNBKIAEQAFQK-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1cc(C[NH3+])nn1-c1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001163985867 1383143282 /nfs/dbraw/zinc/14/32/82/1383143282.db2.gz HQARSIASCQGPAK-HXUWFJFHSA-N 2 0 349.482 3.118 20 0 EGADRP C[C@@H]1CCN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CCC1(F)F ZINC001164117701 1383157788 /nfs/dbraw/zinc/15/77/88/1383157788.db2.gz HXMQLHIPIDTPSF-CQSZACIVSA-N 2 0 339.430 3.426 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001164449588 1383187896 /nfs/dbraw/zinc/18/78/96/1383187896.db2.gz NATYPCSAAJASTK-FQEVSTJZSA-N 2 0 345.531 3.021 20 0 EGADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC001164499132 1383193867 /nfs/dbraw/zinc/19/38/67/1383193867.db2.gz LQOUEBARONKRNU-YYKUARIBSA-N 2 0 336.483 3.424 20 0 EGADRP CCC(CC)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500968 1383194002 /nfs/dbraw/zinc/19/40/02/1383194002.db2.gz MGOLNWXWKFQRJX-IBGZPJMESA-N 2 0 337.552 3.316 20 0 EGADRP Cn1ccc2c1cc[nH+]c2N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165083476 1383223905 /nfs/dbraw/zinc/22/39/05/1383223905.db2.gz GKDCMIWBLDYLNK-XLIONFOSSA-N 2 0 332.451 3.284 20 0 EGADRP C[NH+]1CCC(COc2ccccc2NC=CC2CC[NH2+]CC2)CC1 ZINC001165213614 1383249452 /nfs/dbraw/zinc/24/94/52/1383249452.db2.gz CWBYHKVZYCNPRI-JYRVWZFOSA-N 2 0 329.488 3.332 20 0 EGADRP Cc1cc2[nH]ccc2c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)[nH+]1 ZINC001165266383 1383262650 /nfs/dbraw/zinc/26/26/50/1383262650.db2.gz MIDJUCNJCZILIB-OAHLLOKOSA-N 2 0 338.377 3.382 20 0 EGADRP C[N@@H+]1CCC[C@@H](CCNc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001165289924 1383267044 /nfs/dbraw/zinc/26/70/44/1383267044.db2.gz MAQPHSFENHSIQS-IBGZPJMESA-N 3 0 344.547 3.001 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485378 1383301628 /nfs/dbraw/zinc/30/16/28/1383301628.db2.gz TYGVDQJHLGCGEZ-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1)C1CCC1 ZINC001165502200 1383303684 /nfs/dbraw/zinc/30/36/84/1383303684.db2.gz YGPYGIZLHUZYDK-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](CC)c2ccccc2)CC1)[NH+](C)C ZINC001165719051 1383332322 /nfs/dbraw/zinc/33/23/22/1383332322.db2.gz YMVWULRJIYAXHE-RBUKOAKNSA-N 2 0 345.531 3.354 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001165809842 1383348872 /nfs/dbraw/zinc/34/88/72/1383348872.db2.gz QFQBSTSKQVRXCI-QGZVFWFLSA-N 2 0 339.568 3.275 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927298 1383366344 /nfs/dbraw/zinc/36/63/44/1383366344.db2.gz ZRZWADPUKQKOPV-ZMBJWTFHSA-N 2 0 349.563 3.339 20 0 EGADRP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165967922 1383371964 /nfs/dbraw/zinc/37/19/64/1383371964.db2.gz PEDREAOFKMHSEG-PLNGDYQASA-N 2 0 347.547 3.237 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001166004778 1383376387 /nfs/dbraw/zinc/37/63/87/1383376387.db2.gz XNVYIJSGDPMFAR-RHSMWYFYSA-N 2 0 339.911 3.083 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001166189899 1383400038 /nfs/dbraw/zinc/40/00/38/1383400038.db2.gz SCEQCEOKASEEQO-UHFFFAOYSA-N 2 0 340.471 3.014 20 0 EGADRP CC1CC(C[NH2+]CC2(CCNC(=O)CC3([NH+](C)C)CCCC3)CC2)C1 ZINC001166404084 1383419051 /nfs/dbraw/zinc/41/90/51/1383419051.db2.gz RYVBMIBCABXFIG-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cc(C)ccc1C)[NH+](CC)CC ZINC001166425468 1383421214 /nfs/dbraw/zinc/42/12/14/1383421214.db2.gz SASAOCPJTKFVAM-LJQANCHMSA-N 2 0 333.520 3.020 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1c(C)cccc1C)[NH+](CC)CC ZINC001166424407 1383421242 /nfs/dbraw/zinc/42/12/42/1383421242.db2.gz GHHIELWWYQHRCW-LJQANCHMSA-N 2 0 333.520 3.020 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001166858681 1383488838 /nfs/dbraw/zinc/48/88/38/1383488838.db2.gz WZWXUQXMWIAOFV-APWZRJJASA-N 2 0 333.520 3.307 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166863435 1383489518 /nfs/dbraw/zinc/48/95/18/1383489518.db2.gz KDEVFUDHAFCRIP-UHFFFAOYSA-N 2 0 335.492 3.021 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001166895758 1383495851 /nfs/dbraw/zinc/49/58/51/1383495851.db2.gz ANBNXGYSWMMYEH-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CC2(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001166985521 1383509487 /nfs/dbraw/zinc/50/94/87/1383509487.db2.gz ATIHCWWWCPCVQA-ROUUACIJSA-N 2 0 337.552 3.031 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240928 1383573506 /nfs/dbraw/zinc/57/35/06/1383573506.db2.gz WEOFRBZCEKCWPR-BQYQJAHWSA-N 2 0 337.552 3.197 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)CC1 ZINC001167391625 1383621280 /nfs/dbraw/zinc/62/12/80/1383621280.db2.gz OPPNFVGEKJLHAF-UHFFFAOYSA-N 2 0 347.547 3.095 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001167426072 1383630819 /nfs/dbraw/zinc/63/08/19/1383630819.db2.gz PBTQXQLRPZLFAI-INIZCTEOSA-N 2 0 334.508 3.045 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001167426739 1383631365 /nfs/dbraw/zinc/63/13/65/1383631365.db2.gz YEDUVAFGDZTPFB-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)[NH+]1CCCCCC1 ZINC001167609328 1383688967 /nfs/dbraw/zinc/68/89/67/1383688967.db2.gz NEWSAKIBNDOSML-XWGMLZDCSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]CCCC1CCCC1)[NH+]1CCCCCC1 ZINC001167610199 1383689232 /nfs/dbraw/zinc/68/92/32/1383689232.db2.gz QWDXUZPBVKRQIL-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001167626934 1383692926 /nfs/dbraw/zinc/69/29/26/1383692926.db2.gz HUHBJEPFDMFFMU-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001167824005 1383749586 /nfs/dbraw/zinc/74/95/86/1383749586.db2.gz ASUOXJPFTRHALC-QGZVFWFLSA-N 2 0 349.494 3.094 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001167826275 1383750456 /nfs/dbraw/zinc/75/04/56/1383750456.db2.gz OERVITYREVPKJQ-AZUAARDMSA-N 2 0 337.552 3.364 20 0 EGADRP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167825760 1383750500 /nfs/dbraw/zinc/75/05/00/1383750500.db2.gz TVMUIGWKEMVBNA-GBESFXJTSA-N 2 0 326.525 3.157 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)N(c1ccnc(OC)c1)C1CC[NH2+]CC1 ZINC001167834737 1383752977 /nfs/dbraw/zinc/75/29/77/1383752977.db2.gz MPFJVCLMRZSHEZ-KRWDZBQOSA-N 2 0 348.535 3.159 20 0 EGADRP [NH2+]=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)SCC[NH3+] ZINC001167912913 1383768565 /nfs/dbraw/zinc/76/85/65/1383768565.db2.gz SYGSONWPFWKTLW-UHFFFAOYSA-N 2 0 329.294 3.259 20 0 EGADRP CC(C)C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975411 1383784124 /nfs/dbraw/zinc/78/41/24/1383784124.db2.gz ORXPAOCYJPBJGS-SEJPIABJSA-N 3 0 333.564 3.349 20 0 EGADRP C[N@@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](c2ccccc2)C1 ZINC001167984429 1383787418 /nfs/dbraw/zinc/78/74/18/1383787418.db2.gz OSXUIIBMYRUPOV-PJEZACDQSA-N 2 0 339.527 3.381 20 0 EGADRP O=C1c2ccccc2[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]12 ZINC001167987964 1383788904 /nfs/dbraw/zinc/78/89/04/1383788904.db2.gz NVVZJMYAALYGQI-FMSCBOOZSA-N 2 0 336.479 3.304 20 0 EGADRP CCOC(=O)CCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995602 1383791718 /nfs/dbraw/zinc/79/17/18/1383791718.db2.gz KMLFPQLTLAFOSL-YOFSQIOKSA-N 2 0 348.531 3.447 20 0 EGADRP Cc1nccn1CC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009174 1383795524 /nfs/dbraw/zinc/79/55/24/1383795524.db2.gz HHOKUGKCPFNHEU-IRXDYDNUSA-N 2 0 326.488 3.223 20 0 EGADRP CCOC(=O)C1(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168011767 1383796725 /nfs/dbraw/zinc/79/67/25/1383796725.db2.gz SDJPYVWYHBCYPF-IAGOWNOFSA-N 2 0 344.499 3.361 20 0 EGADRP Cc1ncn(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1CC[NH3+] ZINC001168011917 1383797108 /nfs/dbraw/zinc/79/71/08/1383797108.db2.gz UHYKNQKVDADKAD-HOTGVXAUSA-N 2 0 326.488 3.307 20 0 EGADRP CC(C)[NH+]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168039690 1383802633 /nfs/dbraw/zinc/80/26/33/1383802633.db2.gz HFAUTGWWZRIZNV-RTBURBONSA-N 2 0 329.532 3.454 20 0 EGADRP C[NH+](C)C1CCC([NH2+]CC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001168298806 1383866822 /nfs/dbraw/zinc/86/68/22/1383866822.db2.gz DAVDWVZZLJDSNN-UHFFFAOYSA-N 2 0 328.378 3.351 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CC1 ZINC001168321459 1383872125 /nfs/dbraw/zinc/87/21/25/1383872125.db2.gz HONCHYUDJWTHSA-LADRWXRNSA-N 2 0 347.528 3.050 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001168322688 1383872295 /nfs/dbraw/zinc/87/22/95/1383872295.db2.gz VYPIUHUJSJHGIW-HZGZPEGRSA-N 2 0 343.515 3.435 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168322958 1383872533 /nfs/dbraw/zinc/87/25/33/1383872533.db2.gz KQUUPDKNJNVPEA-GTPINHCMSA-N 2 0 339.524 3.096 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327118 1383874091 /nfs/dbraw/zinc/87/40/91/1383874091.db2.gz QTOXJCAXBCNWQX-QZTJIDSGSA-N 2 0 337.552 3.029 20 0 EGADRP COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)C1CCC([NH+](C)C)CC1 ZINC001168327869 1383874117 /nfs/dbraw/zinc/87/41/17/1383874117.db2.gz RPZJEASDBQYRSF-IPJUCJBFSA-N 2 0 334.504 3.405 20 0 EGADRP C[NH+](C)C1CCC([N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001168329412 1383874139 /nfs/dbraw/zinc/87/41/39/1383874139.db2.gz SLRPRENQYDRBLT-JCYILVPMSA-N 2 0 339.524 3.191 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001168330558 1383875001 /nfs/dbraw/zinc/87/50/01/1383875001.db2.gz RWYQCIXGCUGBNB-WCHWRFHJSA-N 2 0 327.516 3.066 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335781 1383875963 /nfs/dbraw/zinc/87/59/63/1383875963.db2.gz STJCPSXVIDBJMM-LJQANCHMSA-N 2 0 349.563 3.339 20 0 EGADRP CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387725 1383892001 /nfs/dbraw/zinc/89/20/01/1383892001.db2.gz RDNXOTDDDMRPQQ-QFIPXVFZSA-N 2 0 341.543 3.457 20 0 EGADRP CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001306909387 1383919162 /nfs/dbraw/zinc/91/91/62/1383919162.db2.gz KETJNIQELYPPAO-FXAWDEMLSA-N 2 0 345.531 3.346 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001168595306 1383944436 /nfs/dbraw/zinc/94/44/36/1383944436.db2.gz IQTVLHIVBDPECX-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001168615649 1383948960 /nfs/dbraw/zinc/94/89/60/1383948960.db2.gz QTNNLOCAZHIKSW-UHFFFAOYSA-N 2 0 347.547 3.227 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)C(C)C ZINC001168667532 1383964787 /nfs/dbraw/zinc/96/47/87/1383964787.db2.gz WDTXYXIFKDDGAJ-UXHICEINSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168705261 1383974997 /nfs/dbraw/zinc/97/49/97/1383974997.db2.gz UAIZWPHIFUXOAK-HNNXBMFYSA-N 2 0 337.939 3.283 20 0 EGADRP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001168709509 1383976398 /nfs/dbraw/zinc/97/63/98/1383976398.db2.gz SWKBOWIXPXFBGU-BRWVUGGUSA-N 2 0 334.891 3.040 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001168762715 1383994783 /nfs/dbraw/zinc/99/47/83/1383994783.db2.gz GYAJDOVEPAGXQY-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP C[NH+](C)CC(C)(C)CNc1[nH+]c(N2CCOCC2)cc2ccccc21 ZINC001168766129 1383995794 /nfs/dbraw/zinc/99/57/94/1383995794.db2.gz BXUPPMMDMYILJM-UHFFFAOYSA-N 2 0 342.487 3.071 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168825387 1384021761 /nfs/dbraw/zinc/02/17/61/1384021761.db2.gz SHTHMTPZIYRDBJ-WBVHZDCISA-N 2 0 339.524 3.094 20 0 EGADRP C[C@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1CO ZINC001307951548 1384062060 /nfs/dbraw/zinc/06/20/60/1384062060.db2.gz KMEQGTRAXTZEPE-UGKGYDQZSA-N 2 0 344.543 3.282 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCCC1)C2 ZINC001169108253 1384108294 /nfs/dbraw/zinc/10/82/94/1384108294.db2.gz PSQSTLJUUWTQSB-PHZGNYQRSA-N 2 0 337.508 3.039 20 0 EGADRP C[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001308200106 1384108592 /nfs/dbraw/zinc/10/85/92/1384108592.db2.gz UAARTHVRPHRDED-RBUKOAKNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153238 1384115606 /nfs/dbraw/zinc/11/56/06/1384115606.db2.gz IATQWFXNWIETGQ-RXZUFOQRSA-N 2 0 341.543 3.454 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153415 1384116367 /nfs/dbraw/zinc/11/63/67/1384116367.db2.gz IQCNAYUIOFGSEN-UWHLTILDSA-N 2 0 327.516 3.208 20 0 EGADRP C[C@@H]1[C@H]2CC[N@@H+]1C[C@@H]([NH2+]C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169282076 1384131660 /nfs/dbraw/zinc/13/16/60/1384131660.db2.gz RXLAZDSCPRMJRH-AELQCGLWSA-N 2 0 342.483 3.227 20 0 EGADRP O=C(OC1CCC([NH2+]CC23CC[NH+](CC2)CC3)CC1)c1ccccc1 ZINC001169280399 1384131695 /nfs/dbraw/zinc/13/16/95/1384131695.db2.gz QFAHIFWRFGQVMX-UHFFFAOYSA-N 2 0 342.483 3.230 20 0 EGADRP C[C@@H](C[NH2+]C[C@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC001308966176 1384162908 /nfs/dbraw/zinc/16/29/08/1384162908.db2.gz OJYPZJPHUCTCJK-BBRMVZONSA-N 2 0 337.305 3.484 20 0 EGADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCCN(C(=O)OCC)CC2)CC1 ZINC001169664021 1384170344 /nfs/dbraw/zinc/17/03/44/1384170344.db2.gz HZFINIALQMWJQA-GOSISDBHSA-N 2 0 339.524 3.099 20 0 EGADRP CCOC(=O)N1CCC[C@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001169691697 1384174266 /nfs/dbraw/zinc/17/42/66/1384174266.db2.gz GBURYNIFRSTILH-SFHVURJKSA-N 2 0 339.524 3.050 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169721559 1384178320 /nfs/dbraw/zinc/17/83/20/1384178320.db2.gz SGYYDFBQRHDVGQ-LJQANCHMSA-N 2 0 331.504 3.003 20 0 EGADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169728340 1384178899 /nfs/dbraw/zinc/17/88/99/1384178899.db2.gz KTKLZJMJDUQIPX-GOSISDBHSA-N 2 0 343.515 3.272 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001169809965 1384187632 /nfs/dbraw/zinc/18/76/32/1384187632.db2.gz MUXFAIVISQWAGA-PXNSSMCTSA-N 2 0 345.531 3.108 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCCCCC2)CC1 ZINC001169949010 1384202799 /nfs/dbraw/zinc/20/27/99/1384202799.db2.gz YGHKYIKKZAGBEC-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001170413049 1384311357 /nfs/dbraw/zinc/31/13/57/1384311357.db2.gz UDCFLHUSAITDGY-GOSISDBHSA-N 2 0 332.488 3.446 20 0 EGADRP CC[C@H]1CC([NH2+]C2CC([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476314 1384326897 /nfs/dbraw/zinc/32/68/97/1384326897.db2.gz WMEBUCBACIEFPQ-BGHVQYPCSA-N 2 0 325.497 3.022 20 0 EGADRP [NH3+]Cc1cccc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)n1 ZINC001170646565 1384355927 /nfs/dbraw/zinc/35/59/27/1384355927.db2.gz DLNYDYIEJWMFDB-DXBWTPJFSA-N 2 0 336.483 3.173 20 0 EGADRP O=C(NCCC[NH2+]CCC1=CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001170757700 1384380674 /nfs/dbraw/zinc/38/06/74/1384380674.db2.gz YUUKRYBXQCNSFV-UHFFFAOYSA-N 2 0 347.547 3.095 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769175 1384382659 /nfs/dbraw/zinc/38/26/59/1384382659.db2.gz DZFIREJRPDBBHY-SJORKVTESA-N 2 0 343.531 3.264 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCC(C)C ZINC001170784845 1384384586 /nfs/dbraw/zinc/38/45/86/1384384586.db2.gz LPJBBOLGQKQVJE-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP Brc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC001170843316 1384397279 /nfs/dbraw/zinc/39/72/79/1384397279.db2.gz AZOQGPVNQMEOCS-KRWDZBQOSA-N 2 0 337.305 3.382 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170851943 1384398443 /nfs/dbraw/zinc/39/84/43/1384398443.db2.gz VTEZZWFJHMIOJW-CXAGYDPISA-N 2 0 337.305 3.238 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170854617 1384399434 /nfs/dbraw/zinc/39/94/34/1384399434.db2.gz RLNJSDCYOXSGBU-INIZCTEOSA-N 2 0 339.321 3.484 20 0 EGADRP Cc1sc2nc(-c3ccccc3)nc(N[C@H]([NH3+])CCC[NH3+])c2c1C ZINC001170896562 1384407438 /nfs/dbraw/zinc/40/74/38/1384407438.db2.gz HFEMNZJTTABMED-AWEZNQCLSA-N 2 0 341.484 3.411 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171027225 1384432271 /nfs/dbraw/zinc/43/22/71/1384432271.db2.gz REFAFFDLDCRTSZ-QGZVFWFLSA-N 2 0 336.907 3.288 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171068047 1384440539 /nfs/dbraw/zinc/44/05/39/1384440539.db2.gz AJKSBUCYGQBNLF-IRXDYDNUSA-N 2 0 349.510 3.071 20 0 EGADRP [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc([C@@H]4CCC[NH2+]4)cn3)c2C1 ZINC001171091267 1384444136 /nfs/dbraw/zinc/44/41/36/1384444136.db2.gz RAPIXJBYVKOWRK-QAPCUYQASA-N 2 0 332.451 3.266 20 0 EGADRP C[NH+](C)CC[C@H](c1ccc(NCC(C)(C)[NH3+])cc1)c1ccccn1 ZINC001171192262 1384464851 /nfs/dbraw/zinc/46/48/51/1384464851.db2.gz AEBHYJYJRUCPNZ-GOSISDBHSA-N 2 0 326.488 3.314 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001316602038 1384469228 /nfs/dbraw/zinc/46/92/28/1384469228.db2.gz GFXQHFGLFKZRQT-QZTJIDSGSA-N 2 0 339.568 3.179 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001316603560 1384471310 /nfs/dbraw/zinc/47/13/10/1384471310.db2.gz QEFWDJGOIFDPCQ-FXAWDEMLSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001171237192 1384476559 /nfs/dbraw/zinc/47/65/59/1384476559.db2.gz QAAFHVJDGMDLJP-ZWKOTPCHSA-N 2 0 345.531 3.497 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246988 1384477660 /nfs/dbraw/zinc/47/76/60/1384477660.db2.gz JEMNCGCREIEHKH-NVXWUHKLSA-N 2 0 325.541 3.027 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248389 1384477991 /nfs/dbraw/zinc/47/79/91/1384477991.db2.gz UEJYIHRSDBCPKA-FXAWDEMLSA-N 2 0 349.563 3.458 20 0 EGADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171332823 1384496516 /nfs/dbraw/zinc/49/65/16/1384496516.db2.gz IVEXEEGXHZHCJR-QLFBSQMISA-N 2 0 334.891 3.089 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001171355029 1384500497 /nfs/dbraw/zinc/50/04/97/1384500497.db2.gz WFPXOOFLMZVTGQ-UHFFFAOYSA-N 2 0 346.519 3.074 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001171358207 1384500836 /nfs/dbraw/zinc/50/08/36/1384500836.db2.gz CSGFWTMKNCNTEX-QUCCMNQESA-N 2 0 347.547 3.346 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001171359658 1384501643 /nfs/dbraw/zinc/50/16/43/1384501643.db2.gz UFFFACMWDWHIDQ-MJGOQNOKSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001171359763 1384501661 /nfs/dbraw/zinc/50/16/61/1384501661.db2.gz UUBQVQVRMNPDPJ-RDJZCZTQSA-N 2 0 339.549 3.099 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367899 1384504036 /nfs/dbraw/zinc/50/40/36/1384504036.db2.gz QAMHLDHMGNRPIB-XDIYQJDNSA-N 2 0 325.541 3.194 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171443671 1384524627 /nfs/dbraw/zinc/52/46/27/1384524627.db2.gz AQOJDLBCHDURJG-QGZVFWFLSA-N 2 0 325.431 3.209 20 0 EGADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171526333 1384551069 /nfs/dbraw/zinc/55/10/69/1384551069.db2.gz VNMOCJWHXRCMIZ-MCIONIFRSA-N 2 0 326.406 3.424 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171539144 1384556755 /nfs/dbraw/zinc/55/67/55/1384556755.db2.gz QWKBMLLKRJLXNV-PKOBYXMFSA-N 2 0 335.536 3.236 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001171586396 1384572395 /nfs/dbraw/zinc/57/23/95/1384572395.db2.gz NKHHBYUIQWBODE-AQFXKWCLSA-N 2 0 325.541 3.027 20 0 EGADRP CCN(CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171624271 1384583702 /nfs/dbraw/zinc/58/37/02/1384583702.db2.gz NNGHGORWMIBLQD-UHFFFAOYSA-N 2 0 341.540 3.484 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1(C)C ZINC001171630814 1384586502 /nfs/dbraw/zinc/58/65/02/1384586502.db2.gz CKQYKMYCVHBSSW-MRXNPFEDSA-N 2 0 336.442 3.417 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCc3ncnc(C4CC4)c3CC2)CC1(C)C ZINC001171638065 1384587772 /nfs/dbraw/zinc/58/77/72/1384587772.db2.gz QQTPSVMXHZFTHD-UHFFFAOYSA-N 2 0 342.531 3.406 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171646792 1384591849 /nfs/dbraw/zinc/59/18/49/1384591849.db2.gz PSNGPGWCDCJQQM-HKUYNNGSSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674810 1384598810 /nfs/dbraw/zinc/59/88/10/1384598810.db2.gz SHYATWZKMJPHJR-SFHVURJKSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171759406 1384626464 /nfs/dbraw/zinc/62/64/64/1384626464.db2.gz JIXOWKZWUNZRLK-CEWLAPEOSA-N 2 0 327.516 3.210 20 0 EGADRP CC[NH+](CC)C1CCN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171765816 1384629801 /nfs/dbraw/zinc/62/98/01/1384629801.db2.gz ZOMBYNNPJNZVQW-RXVVDRJESA-N 2 0 329.532 3.456 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](Cc3cccnc3)CC1)C2 ZINC001171784888 1384635459 /nfs/dbraw/zinc/63/54/59/1384635459.db2.gz ISSVGWRREYXEKB-IBGZPJMESA-N 2 0 339.458 3.190 20 0 EGADRP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786257 1384636017 /nfs/dbraw/zinc/63/60/17/1384636017.db2.gz ZLYFWPLASJSGCM-QGZVFWFLSA-N 2 0 328.406 3.382 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C)(C)C(C)(C)[NH3+])CC12CCC2 ZINC001171837180 1384656636 /nfs/dbraw/zinc/65/66/36/1384656636.db2.gz ATNZLSLIXLBPBK-CQSZACIVSA-N 2 0 339.524 3.414 20 0 EGADRP CCOC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973148 1384699202 /nfs/dbraw/zinc/69/92/02/1384699202.db2.gz WMXDDHKHASTQMM-WMZOPIPTSA-N 2 0 332.488 3.361 20 0 EGADRP CCOC(=O)[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974998 1384700139 /nfs/dbraw/zinc/70/01/39/1384700139.db2.gz JNVREIIGYDWREX-SJLPKXTDSA-N 2 0 332.488 3.218 20 0 EGADRP CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171974720 1384700153 /nfs/dbraw/zinc/70/01/53/1384700153.db2.gz AKNYMGROYHYGJO-UXHICEINSA-N 2 0 339.483 3.148 20 0 EGADRP CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988040 1384704893 /nfs/dbraw/zinc/70/48/93/1384704893.db2.gz OCBXUXMPUBCQHV-RTBURBONSA-N 2 0 344.499 3.315 20 0 EGADRP CC(C)(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172063708 1384715218 /nfs/dbraw/zinc/71/52/18/1384715218.db2.gz CQPSMMZUMAIROF-AKHDSKFASA-N 2 0 343.515 3.062 20 0 EGADRP C[NH+]1CCC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172064045 1384715306 /nfs/dbraw/zinc/71/53/06/1384715306.db2.gz DWQHORMUPZYNDN-MZADTFQBSA-N 2 0 327.516 3.256 20 0 EGADRP C[N@@H+]1CC[C@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061635 1384715637 /nfs/dbraw/zinc/71/56/37/1384715637.db2.gz ICCWYPANLXDLSY-MXEMCNAFSA-N 2 0 327.516 3.113 20 0 EGADRP CN1CC[C@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722869 /nfs/dbraw/zinc/72/28/69/1384722869.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 0 339.527 3.208 20 0 EGADRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172104226 1384727208 /nfs/dbraw/zinc/72/72/08/1384727208.db2.gz AYBPCWKYTBCMGI-MZADTFQBSA-N 2 0 345.506 3.395 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccccc3F)CC1)C2 ZINC001172112326 1384729292 /nfs/dbraw/zinc/72/92/92/1384729292.db2.gz UTVOKCMTYZNMHU-REPLKXPHSA-N 2 0 345.506 3.177 20 0 EGADRP Cc1cccnc1C1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC001172111324 1384729674 /nfs/dbraw/zinc/72/96/74/1384729674.db2.gz QDVBNFVKCYCMIW-LDLYASANSA-N 2 0 343.515 3.043 20 0 EGADRP CCCN(CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172112405 1384730062 /nfs/dbraw/zinc/73/00/62/1384730062.db2.gz VSXRALJVTJFORP-OSYLJGHBSA-N 2 0 339.524 3.238 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccncc3)CCOCC1)C2 ZINC001172112161 1384730140 /nfs/dbraw/zinc/73/01/40/1384730140.db2.gz SQGGLBFVMJTZMD-OWZKRDHZSA-N 2 0 343.515 3.026 20 0 EGADRP CC[C@@H](CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001172116494 1384733185 /nfs/dbraw/zinc/73/31/85/1384733185.db2.gz HOYGKJLHUOGJOW-NXOAAHMSSA-N 2 0 339.524 3.285 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001172120917 1384734570 /nfs/dbraw/zinc/73/45/70/1384734570.db2.gz HJZMQUUHFUXCDU-AERCQKQUSA-N 2 0 327.516 3.210 20 0 EGADRP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]2CCCC[C@@H]12 ZINC001172122073 1384734908 /nfs/dbraw/zinc/73/49/08/1384734908.db2.gz WOBCALBYEUAMKI-FFDFYAMSSA-N 2 0 348.531 3.303 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172160198 1384739947 /nfs/dbraw/zinc/73/99/47/1384739947.db2.gz SFOZTXIBRBOUIQ-MUGJNUQGSA-N 2 0 347.547 3.292 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCOc2cccc3ccccc32)CC1 ZINC001172246383 1384754994 /nfs/dbraw/zinc/75/49/94/1384754994.db2.gz CRUDAZYNXKSJJT-UHFFFAOYSA-N 2 0 342.483 3.309 20 0 EGADRP COCCC[NH+]1CCC([NH2+]Cc2cccc3ccc(C)nc32)CC1 ZINC001172251090 1384756206 /nfs/dbraw/zinc/75/62/06/1384756206.db2.gz ZYCRBDHDUPFXOM-UHFFFAOYSA-N 2 0 327.472 3.134 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC001172358220 1384776932 /nfs/dbraw/zinc/77/69/32/1384776932.db2.gz GLNBNBQQKCEPDA-LVCYWYKZSA-N 2 0 329.532 3.348 20 0 EGADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C[C@@H]1C ZINC001172379155 1384780730 /nfs/dbraw/zinc/78/07/30/1384780730.db2.gz QYJRYGCIWUUPKY-FUHIMQAGSA-N 2 0 349.563 3.076 20 0 EGADRP CCOCC[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001172425108 1384789140 /nfs/dbraw/zinc/78/91/40/1384789140.db2.gz UBEQMPNOKLOUMB-LJQANCHMSA-N 2 0 346.515 3.169 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H](C)CCOC(C)C)CC1 ZINC001172455185 1384796528 /nfs/dbraw/zinc/79/65/28/1384796528.db2.gz RDRORANLILMZRG-FQEVSTJZSA-N 2 0 341.584 3.320 20 0 EGADRP CC(C)COCC[C@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172471030 1384800123 /nfs/dbraw/zinc/80/01/23/1384800123.db2.gz ISQIETCYLAMGBH-BZSNNMDCSA-N 2 0 326.525 3.189 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CCCC3CCC3)C2)CCC1 ZINC001317036366 1384806531 /nfs/dbraw/zinc/80/65/31/1384806531.db2.gz DVRQZWKTRROILS-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)CC1 ZINC001317098480 1384860908 /nfs/dbraw/zinc/86/09/08/1384860908.db2.gz SHEYWQKTDNBITI-YQQQUEKLSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172883831 1384872592 /nfs/dbraw/zinc/87/25/92/1384872592.db2.gz UVMDNRVTETZTIR-CQSZACIVSA-N 2 0 342.936 3.115 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172944581 1384885379 /nfs/dbraw/zinc/88/53/79/1384885379.db2.gz WFEJCDGRGIMFOL-HNNXBMFYSA-N 2 0 327.513 3.096 20 0 EGADRP C[C@H]1CC[C@H]([NH+]2CCC(C[NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173072504 1384908089 /nfs/dbraw/zinc/90/80/89/1384908089.db2.gz WISUGMWIRIKPFS-RDJZCZTQSA-N 2 0 339.524 3.048 20 0 EGADRP CC[NH+](CC)C1CCC(n2cc(C[C@H]([NH3+])CO)c3ccccc32)CC1 ZINC001173101942 1384914753 /nfs/dbraw/zinc/91/47/53/1384914753.db2.gz QARHJXPCGRYAGM-VIQWUECVSA-N 2 0 343.515 3.329 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(C(=O)CC(C)C)CC2)CC1 ZINC001173103795 1384915700 /nfs/dbraw/zinc/91/57/00/1384915700.db2.gz SHYUHXIJYXUKBQ-UHFFFAOYSA-N 2 0 337.552 3.266 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CO)Cc2cccc(Cl)c2)CC1 ZINC001173104174 1384915727 /nfs/dbraw/zinc/91/57/27/1384915727.db2.gz LBLTWCCKQBWRFU-JLAWEPINSA-N 2 0 338.923 3.486 20 0 EGADRP CCOC[C@@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2cnn(C)c21 ZINC001173109118 1384916266 /nfs/dbraw/zinc/91/62/66/1384916266.db2.gz GHNUJOMDIIIGLE-VIQWUECVSA-N 2 0 348.535 3.009 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC1 ZINC001173108904 1384916308 /nfs/dbraw/zinc/91/63/08/1384916308.db2.gz TVMGXJCOCMIUQS-UHFFFAOYSA-N 2 0 345.531 3.174 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCOc2cc(Cl)ccn2)CC1 ZINC001173110632 1384916730 /nfs/dbraw/zinc/91/67/30/1384916730.db2.gz QCZAASWUBGAGDL-UHFFFAOYSA-N 2 0 325.884 3.356 20 0 EGADRP CCOCc1noc2c1C[N@@H+](C1CCC([NH+](CC)CC)CC1)CC2 ZINC001173112682 1384916797 /nfs/dbraw/zinc/91/67/97/1384916797.db2.gz ZLKBGMRELLACIZ-UHFFFAOYSA-N 2 0 335.492 3.222 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CCN(C)c3nc(C)ccc3C2)CC1 ZINC001173110226 1384917012 /nfs/dbraw/zinc/91/70/12/1384917012.db2.gz INDCOWZSSRPQQA-UHFFFAOYSA-N 2 0 330.520 3.295 20 0 EGADRP CC[NH+](CC)C1CCC([N@H+](CCC(=O)OC)Cc2ccco2)CC1 ZINC001173111455 1384917087 /nfs/dbraw/zinc/91/70/87/1384917087.db2.gz FRUHJBDAIFRFBH-UHFFFAOYSA-N 2 0 336.476 3.298 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001173111113 1384917129 /nfs/dbraw/zinc/91/71/29/1384917129.db2.gz SALXEGCVWWBORW-DCCYDQLOSA-N 2 0 349.563 3.218 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001173114288 1384917955 /nfs/dbraw/zinc/91/79/55/1384917955.db2.gz DXBWPDPKRNPVNY-UHFFFAOYSA-N 2 0 334.426 3.483 20 0 EGADRP CC[NH+](CC)C1CCC(n2nc(C(F)(F)F)c3c2C[NH2+]CC3)CC1 ZINC001173113477 1384917973 /nfs/dbraw/zinc/91/79/73/1384917973.db2.gz QGRRTSZKYKKQHS-UHFFFAOYSA-N 2 0 344.425 3.373 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317169306 1384934322 /nfs/dbraw/zinc/93/43/22/1384934322.db2.gz YSRPMLGATRGENE-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CC1CC(C[N@@H+]2CCCC[C@H]2CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317170458 1384937402 /nfs/dbraw/zinc/93/74/02/1384937402.db2.gz BITPBRZZPAEMPK-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCC2)CCC1 ZINC001317173037 1384940955 /nfs/dbraw/zinc/94/09/55/1384940955.db2.gz MBVRJDPMSBTTQW-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)C1 ZINC001173364928 1384964470 /nfs/dbraw/zinc/96/44/70/1384964470.db2.gz ZMBNVLVABOKURD-SEVLPDGMSA-N 2 0 327.516 3.191 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001173456989 1384974126 /nfs/dbraw/zinc/97/41/26/1384974126.db2.gz IKWUVQUUAQUBTI-HNNXBMFYSA-N 2 0 328.472 3.007 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CC[NH+](CC(C)C)CC1)CC2 ZINC001173608961 1384987872 /nfs/dbraw/zinc/98/78/72/1384987872.db2.gz IWHVDYWWPRRQPS-IPCDKGFNSA-N 2 0 336.520 3.208 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001173613937 1384988863 /nfs/dbraw/zinc/98/88/63/1384988863.db2.gz LQFOBMHAENCUHG-IPCDKGFNSA-N 2 0 334.504 3.059 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001317220990 1385001340 /nfs/dbraw/zinc/00/13/40/1385001340.db2.gz QWVPJINGGPLIQI-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001317221036 1385001692 /nfs/dbraw/zinc/00/16/92/1385001692.db2.gz SGXWBAWRPBOJLU-JXMROGBWSA-N 2 0 343.515 3.059 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])cc1 ZINC001173720225 1385009585 /nfs/dbraw/zinc/00/95/85/1385009585.db2.gz JWTSXNMZYKIXIN-HOTGVXAUSA-N 2 0 334.504 3.395 20 0 EGADRP [NH3+]CCCCCCCCCCC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173752207 1385013171 /nfs/dbraw/zinc/01/31/71/1385013171.db2.gz OWYZLFVGKNVSCW-QZTJIDSGSA-N 2 0 336.528 3.216 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001317306502 1385073193 /nfs/dbraw/zinc/07/31/93/1385073193.db2.gz ZIYWXQGFFOMTDU-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317343509 1385094815 /nfs/dbraw/zinc/09/48/15/1385094815.db2.gz LYANSKGPHKPHBQ-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880754 1385164186 /nfs/dbraw/zinc/16/41/86/1385164186.db2.gz GVYHYIFMWAJRPD-YLJYHZDGSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCC[NH+](C)C ZINC001174949390 1385173504 /nfs/dbraw/zinc/17/35/04/1385173504.db2.gz QWPIBPFZGJYNCV-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174962566 1385175153 /nfs/dbraw/zinc/17/51/53/1385175153.db2.gz VEYZBWRQLQOYSZ-SZJVNEJHSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175041709 1385185538 /nfs/dbraw/zinc/18/55/38/1385185538.db2.gz QDXLCVXQCZFDGK-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CCCC[NH2+][C@H]1CCCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001175047818 1385186178 /nfs/dbraw/zinc/18/61/78/1385186178.db2.gz CQJJZDBNSUPLAQ-XLIONFOSSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@@H](CCCC[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001175049678 1385186439 /nfs/dbraw/zinc/18/64/39/1385186439.db2.gz WXJIEOOSBUKMMV-JKSUJKDBSA-N 2 0 347.494 3.028 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175049763 1385186497 /nfs/dbraw/zinc/18/64/97/1385186497.db2.gz XVRWBNZSJKTCPM-ZWKOTPCHSA-N 2 0 333.520 3.272 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175049761 1385186503 /nfs/dbraw/zinc/18/65/03/1385186503.db2.gz XVRWBNZSJKTCPM-ROUUACIJSA-N 2 0 333.520 3.272 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256571 1385231303 /nfs/dbraw/zinc/23/13/03/1385231303.db2.gz MGXJADATCQFVPU-HMTUNPETSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175262568 1385233216 /nfs/dbraw/zinc/23/32/16/1385233216.db2.gz HOOGPODOSHSMJZ-SFHVURJKSA-N 2 0 347.547 3.325 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263679 1385233270 /nfs/dbraw/zinc/23/32/70/1385233270.db2.gz QIJWKUCTTOGYIF-IRXDYDNUSA-N 2 0 337.552 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175265114 1385234836 /nfs/dbraw/zinc/23/48/36/1385234836.db2.gz XIDAOOSRQCGIIT-RJCMGOLDSA-N 2 0 337.552 3.339 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265522 1385235416 /nfs/dbraw/zinc/23/54/16/1385235416.db2.gz ZIARIXMRLOPBDR-GOSISDBHSA-N 2 0 347.547 3.469 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001175318405 1385251582 /nfs/dbraw/zinc/25/15/82/1385251582.db2.gz ZVXWZDPKEXHUAG-RDJZCZTQSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](C)c1ccccc1 ZINC001317541732 1385280896 /nfs/dbraw/zinc/28/08/96/1385280896.db2.gz ZWJJXLIDXKEAMI-MJGOQNOKSA-N 2 0 331.504 3.060 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001175565338 1385333442 /nfs/dbraw/zinc/33/34/42/1385333442.db2.gz JLXWUVYRKACNRI-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001175905914 1385434510 /nfs/dbraw/zinc/43/45/10/1385434510.db2.gz FIXYCJAPDWCYCS-PMACEKPBSA-N 2 0 333.495 3.379 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175966518 1385447186 /nfs/dbraw/zinc/44/71/86/1385447186.db2.gz CCKIYQNQJRZGHY-KRWDZBQOSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176024464 1385464275 /nfs/dbraw/zinc/46/42/75/1385464275.db2.gz ONABHMMVMSZDPC-INIZCTEOSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176166142 1385500705 /nfs/dbraw/zinc/50/07/05/1385500705.db2.gz QCDGAJLVEUTYSI-MOPGFXCFSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176167435 1385500842 /nfs/dbraw/zinc/50/08/42/1385500842.db2.gz ZLIDVJZBWQTWSC-ICSRJNTNSA-N 2 0 349.563 3.483 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001317839872 1385526060 /nfs/dbraw/zinc/52/60/60/1385526060.db2.gz MBMSXKDSPFFAEH-MRXNPFEDSA-N 2 0 349.544 3.004 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176283926 1385538467 /nfs/dbraw/zinc/53/84/67/1385538467.db2.gz AZDGSSYRZBHGJC-GOSISDBHSA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176317035 1385550160 /nfs/dbraw/zinc/55/01/60/1385550160.db2.gz CBKDUDVZABCMNM-GOSISDBHSA-N 2 0 325.541 3.031 20 0 EGADRP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(OCCC[NH+](C)C)nc1 ZINC001176355146 1385561807 /nfs/dbraw/zinc/56/18/07/1385561807.db2.gz MYZSARBSASLATD-UHFFFAOYSA-N 2 0 343.406 3.251 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001176358377 1385562450 /nfs/dbraw/zinc/56/24/50/1385562450.db2.gz BEBUFLCKUQNKMG-ICSRJNTNSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564027 1385626201 /nfs/dbraw/zinc/62/62/01/1385626201.db2.gz KDRUVLFDERBRPT-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001176572552 1385628917 /nfs/dbraw/zinc/62/89/17/1385628917.db2.gz BDUCUIIAXYVQHB-CWIMXHLESA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176736836 1385676235 /nfs/dbraw/zinc/67/62/35/1385676235.db2.gz FRHKEZFVKGICLA-KRWDZBQOSA-N 2 0 345.531 3.427 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753360 1385684049 /nfs/dbraw/zinc/68/40/49/1385684049.db2.gz GTWCYTFFTLEXHY-MOPGFXCFSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001176754675 1385684789 /nfs/dbraw/zinc/68/47/89/1385684789.db2.gz XXZKXSPILGZYKP-IEBWSBKVSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176758815 1385685458 /nfs/dbraw/zinc/68/54/58/1385685458.db2.gz FSQRHLOPVDRKRX-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318429732 1385686075 /nfs/dbraw/zinc/68/60/75/1385686075.db2.gz SMRVEVBNKQEAOL-QZTJIDSGSA-N 2 0 339.568 3.179 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CCCC[NH+]1CCCC1 ZINC001176814080 1385711212 /nfs/dbraw/zinc/71/12/12/1385711212.db2.gz FCLAADBRTRXXKV-VGMNTSGFSA-N 2 0 343.943 3.270 20 0 EGADRP C[C@@H](F)CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176816042 1385712444 /nfs/dbraw/zinc/71/24/44/1385712444.db2.gz WHSTVHRJYNDBQZ-QZTJIDSGSA-N 2 0 343.531 3.265 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176856125 1385724966 /nfs/dbraw/zinc/72/49/66/1385724966.db2.gz IRNZLFMKZTWQLH-HDICACEKSA-N 2 0 345.531 3.279 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001176953193 1385753470 /nfs/dbraw/zinc/75/34/70/1385753470.db2.gz GJSMENBDTJQEGY-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001176992078 1385765500 /nfs/dbraw/zinc/76/55/00/1385765500.db2.gz IKPVQTRAQNMBEN-UYAOXDASSA-N 2 0 345.531 3.335 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001176997118 1385768383 /nfs/dbraw/zinc/76/83/83/1385768383.db2.gz JFPXEGZEKMREAX-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001176998808 1385768912 /nfs/dbraw/zinc/76/89/12/1385768912.db2.gz GDAUIGDBPNHGCO-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001176998511 1385769300 /nfs/dbraw/zinc/76/93/00/1385769300.db2.gz ADGBBFQHLCPJPP-LPHOPBHVSA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC001177200224 1385858473 /nfs/dbraw/zinc/85/84/73/1385858473.db2.gz UJEKXJBGVFZSQS-UHFFFAOYSA-N 2 0 346.906 3.004 20 0 EGADRP CC(C)(C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1)[NH+]1CCCC1 ZINC001177378616 1385935418 /nfs/dbraw/zinc/93/54/18/1385935418.db2.gz GFJDTAQADXJVDG-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177416119 1385949446 /nfs/dbraw/zinc/94/94/46/1385949446.db2.gz UZXIVWBUDJTATI-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001177434079 1385955853 /nfs/dbraw/zinc/95/58/53/1385955853.db2.gz PXJIQXAQIDQOKQ-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001319090617 1385957505 /nfs/dbraw/zinc/95/75/05/1385957505.db2.gz RYBYFOVBSYJIIG-YSIASYRMSA-N 2 0 343.515 3.030 20 0 EGADRP CC[NH+](CC)CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177445166 1385958928 /nfs/dbraw/zinc/95/89/28/1385958928.db2.gz BAQPSQHYXSMJKP-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]C[C@H](C)CC)CC1CCCC1 ZINC001177466681 1385966583 /nfs/dbraw/zinc/96/65/83/1385966583.db2.gz BGEHRYYSBXXKKW-GOSISDBHSA-N 2 0 339.568 3.373 20 0 EGADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCC[NH+]2CCCC2)cs1 ZINC001319131897 1385970990 /nfs/dbraw/zinc/97/09/90/1385970990.db2.gz BRKPAPDJBOPLGD-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001319286369 1386043206 /nfs/dbraw/zinc/04/32/06/1386043206.db2.gz VNIFPRMZSZEMNH-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001319352478 1386075431 /nfs/dbraw/zinc/07/54/31/1386075431.db2.gz WKYSJCHWIHQMFK-LJQANCHMSA-N 2 0 343.515 3.078 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(CF)cc1 ZINC001178045524 1386114479 /nfs/dbraw/zinc/11/44/79/1386114479.db2.gz NLIBNSOVAXDYMO-IBGZPJMESA-N 2 0 349.494 3.017 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045029 1386114529 /nfs/dbraw/zinc/11/45/29/1386114529.db2.gz ARBPUMQRFCGRCD-UYAOXDASSA-N 2 0 345.531 3.416 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001178045805 1386115744 /nfs/dbraw/zinc/11/57/44/1386115744.db2.gz WIZRNWYOWGRTJL-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319525138 1386160526 /nfs/dbraw/zinc/16/05/26/1386160526.db2.gz KXLIUTONWOJOJT-KRWDZBQOSA-N 2 0 345.531 3.088 20 0 EGADRP O=c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC001178285078 1386180397 /nfs/dbraw/zinc/18/03/97/1386180397.db2.gz JRRGSCAWUJKXOA-HSALFYBXSA-N 2 0 337.467 3.178 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178468218 1386226185 /nfs/dbraw/zinc/22/61/85/1386226185.db2.gz PXYLAURXPAGTAP-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178633611 1386265115 /nfs/dbraw/zinc/26/51/15/1386265115.db2.gz AUUJOUIMXFNERG-ACBHZAAOSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CC1=CCCCC1)C1CC1 ZINC001178698449 1386281346 /nfs/dbraw/zinc/28/13/46/1386281346.db2.gz IEOLDXJMOFZANX-LJQANCHMSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001178755362 1386295002 /nfs/dbraw/zinc/29/50/02/1386295002.db2.gz SGKHJVGUSNHUBP-SFHVURJKSA-N 2 0 339.568 3.275 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001178813252 1386314852 /nfs/dbraw/zinc/31/48/52/1386314852.db2.gz DGZNAWSQXRBCQD-ULQDDVLXSA-N 2 0 343.531 3.072 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]CCCc1ccccc1)[NH+](C)C ZINC001178819077 1386317153 /nfs/dbraw/zinc/31/71/53/1386317153.db2.gz JZOQBDQLGRGFIK-HXUWFJFHSA-N 2 0 347.547 3.226 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178827359 1386318891 /nfs/dbraw/zinc/31/88/91/1386318891.db2.gz HEMLPQCVPQJBBL-LJQANCHMSA-N 2 0 335.536 3.237 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001178878052 1386336221 /nfs/dbraw/zinc/33/62/21/1386336221.db2.gz LFLXKMWPWVRIFA-SXLOBPIMSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878706 1386336306 /nfs/dbraw/zinc/33/63/06/1386336306.db2.gz XBMYLLTZKKKTIV-PCUMXMLJSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178921043 1386350045 /nfs/dbraw/zinc/35/00/45/1386350045.db2.gz SPVZVVOEMFQHME-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178947352 1386358516 /nfs/dbraw/zinc/35/85/16/1386358516.db2.gz SZWFOUXAYLILGT-INIZCTEOSA-N 2 0 330.476 3.260 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001179133820 1386407575 /nfs/dbraw/zinc/40/75/75/1386407575.db2.gz BJCNDFWXEPPMJE-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179145892 1386410025 /nfs/dbraw/zinc/41/00/25/1386410025.db2.gz DLPNTFDKJOEJQZ-BXWFABGCSA-N 2 0 342.487 3.209 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001179146331 1386410288 /nfs/dbraw/zinc/41/02/88/1386410288.db2.gz ZSDKYPIKEJNSJL-KXBFYZLASA-N 2 0 340.471 3.107 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)C1 ZINC001179358021 1386462843 /nfs/dbraw/zinc/46/28/43/1386462843.db2.gz QPGPBMZALJLTJL-ROUUACIJSA-N 2 0 343.531 3.123 20 0 EGADRP O=C(NCCCCCC[NH2+]CCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179362085 1386463941 /nfs/dbraw/zinc/46/39/41/1386463941.db2.gz WRTPFZYWLUXBSC-GOSISDBHSA-N 2 0 341.515 3.019 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC001179383257 1386468059 /nfs/dbraw/zinc/46/80/59/1386468059.db2.gz RKMXSXPLIXJOBW-ROUUACIJSA-N 2 0 339.568 3.419 20 0 EGADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179402772 1386475828 /nfs/dbraw/zinc/47/58/28/1386475828.db2.gz CFVBZGODXISFOG-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccc2ccccc2c1 ZINC001320068105 1386488518 /nfs/dbraw/zinc/48/85/18/1386488518.db2.gz GHERXZSYSBIBTA-UHFFFAOYSA-N 2 0 341.499 3.072 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H]1C)[NH+](CC)CC ZINC001179517902 1386504278 /nfs/dbraw/zinc/50/42/78/1386504278.db2.gz WJDMMINBSPDAIH-IHPCNDPISA-N 2 0 345.531 3.194 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001179549535 1386511943 /nfs/dbraw/zinc/51/19/43/1386511943.db2.gz DCOVLNTXAIWHNO-WMZOPIPTSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001179580799 1386522652 /nfs/dbraw/zinc/52/26/52/1386522652.db2.gz QNVFWSONGKOBMZ-KRWDZBQOSA-N 2 0 349.494 3.076 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179585410 1386523119 /nfs/dbraw/zinc/52/31/19/1386523119.db2.gz GZCSUOBBLRKKQB-AZUAARDMSA-N 2 0 349.563 3.341 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179585446 1386523479 /nfs/dbraw/zinc/52/34/79/1386523479.db2.gz HZXPWSOYFIHDSO-MOPGFXCFSA-N 2 0 339.568 3.277 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCC2=CCCCC2)C1 ZINC001179585720 1386523872 /nfs/dbraw/zinc/52/38/72/1386523872.db2.gz JSLZIYVXDRYJER-LJQANCHMSA-N 2 0 349.563 3.485 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179587293 1386524417 /nfs/dbraw/zinc/52/44/17/1386524417.db2.gz YAJHMJFXQTUIPX-KRWDZBQOSA-N 2 0 325.541 3.031 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CC1CCCC1)CC(C)(C)C ZINC001179592477 1386526808 /nfs/dbraw/zinc/52/68/08/1386526808.db2.gz CSMCCYFYYHVXMQ-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001179651015 1386540321 /nfs/dbraw/zinc/54/03/21/1386540321.db2.gz CBFQIKLVMHBOJB-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001179657272 1386542029 /nfs/dbraw/zinc/54/20/29/1386542029.db2.gz ZBQWHJVDYXTUEP-WMZOPIPTSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001179746266 1386570225 /nfs/dbraw/zinc/57/02/25/1386570225.db2.gz SJWZLBRIUOQFPG-FPISAVPCSA-N 2 0 343.943 3.268 20 0 EGADRP Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001320379998 1386593649 /nfs/dbraw/zinc/59/36/49/1386593649.db2.gz ITGWHWXZXGQPOE-NSHDSACASA-N 2 0 338.415 3.048 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)[C@@H]1C ZINC001179983124 1386657760 /nfs/dbraw/zinc/65/77/60/1386657760.db2.gz LXMUUKATVZLJER-BXWFABGCSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)[C@@H]1C ZINC001179983129 1386658330 /nfs/dbraw/zinc/65/83/30/1386658330.db2.gz LZDGHTLCWUINNV-WDSOQIARSA-N 2 0 331.504 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001180035701 1386676496 /nfs/dbraw/zinc/67/64/96/1386676496.db2.gz OVFNMQDZZSWYNC-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001180124478 1386705137 /nfs/dbraw/zinc/70/51/37/1386705137.db2.gz XTGBBYIKCVZNDF-UHFFFAOYSA-N 2 0 325.541 3.175 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180156876 1386717204 /nfs/dbraw/zinc/71/72/04/1386717204.db2.gz KJWSXQPVTARAIR-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C)c1ccccc1 ZINC001180226673 1386738944 /nfs/dbraw/zinc/73/89/44/1386738944.db2.gz GBKICRNZEUIDBP-WDSOQIARSA-N 2 0 331.504 3.057 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001180260536 1386749207 /nfs/dbraw/zinc/74/92/07/1386749207.db2.gz ZVWONIZBIXILNE-HXUWFJFHSA-N 2 0 345.531 3.021 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180356574 1386773087 /nfs/dbraw/zinc/77/30/87/1386773087.db2.gz CYYONBDPFVSLFO-SFHVURJKSA-N 2 0 325.541 3.175 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)c1ccccc1C[NH+](C)C ZINC001180365659 1386775341 /nfs/dbraw/zinc/77/53/41/1386775341.db2.gz BCSODJZLCPXTOC-UHFFFAOYSA-N 2 0 333.520 3.284 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001180372867 1386777998 /nfs/dbraw/zinc/77/79/98/1386777998.db2.gz JOUVWUADNKNQCW-OAGJVSPASA-N 2 0 343.943 3.126 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001180446880 1386799530 /nfs/dbraw/zinc/79/95/30/1386799530.db2.gz XIYPNBLJWKMTPL-UHFFFAOYSA-N 2 0 337.508 3.411 20 0 EGADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC001321074295 1386801507 /nfs/dbraw/zinc/80/15/07/1386801507.db2.gz IFEJQPJWGJADOP-SFHVURJKSA-N 2 0 328.431 3.446 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)c2)CC1 ZINC001321267079 1386860878 /nfs/dbraw/zinc/86/08/78/1386860878.db2.gz HSLFKZHZDMUHAO-NHCUHLMSSA-N 2 0 347.522 3.442 20 0 EGADRP C[C@@H](CNC(=O)CC[N@H+](C)Cc1ccccc1)CC(C)(C)CC[NH3+] ZINC001181141964 1386945149 /nfs/dbraw/zinc/94/51/49/1386945149.db2.gz JPZXTPNIGKJJQM-QGZVFWFLSA-N 2 0 333.520 3.026 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001321757056 1386976325 /nfs/dbraw/zinc/97/63/25/1386976325.db2.gz UITUBJSLROIJEX-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181672680 1387036780 /nfs/dbraw/zinc/03/67/80/1387036780.db2.gz YWWDABYVIFEXGM-BWPKTWLJSA-N 2 0 349.563 3.291 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1cccc(N[C@H]2CCC[N@H+](CC)C2)c1 ZINC001181717195 1387044393 /nfs/dbraw/zinc/04/43/93/1387044393.db2.gz CWXFEQYYJIDWNZ-IBGZPJMESA-N 2 0 347.503 3.081 20 0 EGADRP Cc1c[nH+]c2ccccc2c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001322557489 1387205644 /nfs/dbraw/zinc/20/56/44/1387205644.db2.gz PRGOTDXCPYQHPZ-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001182806224 1387227490 /nfs/dbraw/zinc/22/74/90/1387227490.db2.gz CSPNXKYORHNZSE-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001329491951 1389131126 /nfs/dbraw/zinc/13/11/26/1389131126.db2.gz YPKFRMLRMOWTEV-OAHLLOKOSA-N 2 0 347.528 3.201 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336778702 1389167299 /nfs/dbraw/zinc/16/72/99/1389167299.db2.gz AGEAHDJSAHHFQQ-GHTZIAJQSA-N 2 0 340.511 3.453 20 0 EGADRP CC[NH+](CC)C1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC001330584109 1389461563 /nfs/dbraw/zinc/46/15/63/1389461563.db2.gz HSDTYEGQINMSQQ-SFHVURJKSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001331562468 1389800634 /nfs/dbraw/zinc/80/06/34/1389800634.db2.gz ZHGGNXGNLJDGCJ-ADYSOMBNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001331614119 1389829364 /nfs/dbraw/zinc/82/93/64/1389829364.db2.gz VUABHAANPQVCNE-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332424835 1390113291 /nfs/dbraw/zinc/11/32/91/1390113291.db2.gz SFVNPJBNQVBIAS-HNNXBMFYSA-N 2 0 349.906 3.441 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC001332555236 1390134178 /nfs/dbraw/zinc/13/41/78/1390134178.db2.gz HAUPWSXRAJMBTH-ZBFHGGJFSA-N 2 0 336.549 3.391 20 0 EGADRP C[C@@H]([NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C)c1ccccc1 ZINC001332840695 1390198622 /nfs/dbraw/zinc/19/86/22/1390198622.db2.gz GGQCARGVMIWCKL-AEFFLSMTSA-N 2 0 345.531 3.210 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C[NH3+])C2CCCCCC2)CC1 ZINC001340185097 1390245352 /nfs/dbraw/zinc/24/53/52/1390245352.db2.gz QZBFSBUHRVHIKX-LJQANCHMSA-N 2 0 337.552 3.111 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCC(F)F)CC1 ZINC001333514812 1390324287 /nfs/dbraw/zinc/32/42/87/1390324287.db2.gz RHCSRIRTWHAEJS-UHFFFAOYSA-N 2 0 331.838 3.227 20 0 EGADRP CC1([NH+]2CCCC2)CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC001341089412 1390439060 /nfs/dbraw/zinc/43/90/60/1390439060.db2.gz ISDZMWDDQVZZLF-JEHIUISZSA-N 2 0 347.547 3.053 20 0 EGADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001334335544 1390519458 /nfs/dbraw/zinc/51/94/58/1390519458.db2.gz JEBIBDMVUIVEPO-HRCADAONSA-N 2 0 325.456 3.410 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC001334433454 1390537617 /nfs/dbraw/zinc/53/76/17/1390537617.db2.gz ITEJQONHIVVSMT-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP COc1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001335151142 1390649578 /nfs/dbraw/zinc/64/95/78/1390649578.db2.gz TVTRMCJGWOCQHZ-OFQRWUPVSA-N 2 0 336.451 3.005 20 0 EGADRP Cc1ccccc1NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC001349910730 1391383897 /nfs/dbraw/zinc/38/38/97/1391383897.db2.gz GOBMCBLPSHSLNJ-UHFFFAOYSA-N 2 0 332.517 3.293 20 0 EGADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001353338750 1391991968 /nfs/dbraw/zinc/99/19/68/1391991968.db2.gz IVKQBHQJYJAGLV-XJKSGUPXSA-N 2 0 330.394 3.060 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC001353533833 1392034272 /nfs/dbraw/zinc/03/42/72/1392034272.db2.gz AVVKWIYXUFQJAJ-CRAIPNDOSA-N 2 0 331.504 3.092 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001479907144 1392474886 /nfs/dbraw/zinc/47/48/86/1392474886.db2.gz LJEKHGPDEBLNDV-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479908215 1392475335 /nfs/dbraw/zinc/47/53/35/1392475335.db2.gz KAWYDCOFOMCQJS-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001479982026 1392515011 /nfs/dbraw/zinc/51/50/11/1392515011.db2.gz DOVQHVUPAGMWTM-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001480150796 1392601463 /nfs/dbraw/zinc/60/14/63/1392601463.db2.gz JYSASTAJWWOVHF-IYARVYRRSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001480349004 1392699276 /nfs/dbraw/zinc/69/92/76/1392699276.db2.gz BWIHZIAVKRGAKY-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC001480409544 1392745799 /nfs/dbraw/zinc/74/57/99/1392745799.db2.gz KTDXYGIXTGWMKA-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001480510128 1392774656 /nfs/dbraw/zinc/77/46/56/1392774656.db2.gz SSXQHSDEUOZKPP-INIZCTEOSA-N 2 0 349.494 3.075 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001480710500 1392872696 /nfs/dbraw/zinc/87/26/96/1392872696.db2.gz QXVJVMPIJXJQOM-VQTJNVASSA-N 2 0 349.563 3.460 20 0 EGADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480945944 1393040386 /nfs/dbraw/zinc/04/03/86/1393040386.db2.gz GOMKGGFXNIJXKF-FUHWJXTLSA-N 2 0 345.531 3.045 20 0 EGADRP CC(C)[C@H](C(=O)NCC[N@H+](C)CCC1CCCC1)[NH+]1CCCCC1 ZINC001480951937 1393042974 /nfs/dbraw/zinc/04/29/74/1393042974.db2.gz RYSBAHLDKLTZML-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(F)c1 ZINC001480979439 1393064193 /nfs/dbraw/zinc/06/41/93/1393064193.db2.gz JEPGMIDTUDLVFG-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001481070510 1393112928 /nfs/dbraw/zinc/11/29/28/1393112928.db2.gz JAFPQSCQORJFPP-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccc(F)cc1 ZINC001481319730 1393163072 /nfs/dbraw/zinc/16/30/72/1393163072.db2.gz LXMZJISJUAWDFQ-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001698916434 1406650270 /nfs/dbraw/zinc/65/02/70/1406650270.db2.gz CNQXHUNZMVRSRT-FQEVSTJZSA-N 2 0 345.531 3.174 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC001490897507 1394369459 /nfs/dbraw/zinc/36/94/59/1394369459.db2.gz LALIOSORDOWJIF-KBRIMQKVSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)(C(=O)NCC1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001481625269 1394423779 /nfs/dbraw/zinc/42/37/79/1394423779.db2.gz BNVJINJBFGBZRP-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001481692564 1394453429 /nfs/dbraw/zinc/45/34/29/1394453429.db2.gz VBICVFYGCUXIPS-PXNSSMCTSA-N 2 0 345.531 3.403 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F ZINC001491269902 1394498339 /nfs/dbraw/zinc/49/83/39/1394498339.db2.gz QQRCANDPDFUTNJ-IAGOWNOFSA-N 2 0 349.494 3.199 20 0 EGADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481771607 1394515467 /nfs/dbraw/zinc/51/54/67/1394515467.db2.gz OJBHUBXUJWXGFS-IBGZPJMESA-N 2 0 337.552 3.364 20 0 EGADRP CCc1ccc(C[N@H+]2CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C2)cc1 ZINC001481773165 1394516863 /nfs/dbraw/zinc/51/68/63/1394516863.db2.gz PWBNYKROHPWTMB-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001481849079 1394558244 /nfs/dbraw/zinc/55/82/44/1394558244.db2.gz VJSQQOMLEAZYCW-RTBURBONSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H]([NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001482002592 1394662559 /nfs/dbraw/zinc/66/25/59/1394662559.db2.gz OVIFWHHBGWGFOD-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001482039473 1394701998 /nfs/dbraw/zinc/70/19/98/1394701998.db2.gz GNDCUZQLMOQICV-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482292830 1394871823 /nfs/dbraw/zinc/87/18/23/1394871823.db2.gz TUPNDJHNWGOGCX-MRXNPFEDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001483910934 1395140903 /nfs/dbraw/zinc/14/09/03/1395140903.db2.gz FVNBOUZUZLKQBF-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[NH+]1CCC(C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001484143514 1395279524 /nfs/dbraw/zinc/27/95/24/1395279524.db2.gz LXVSMTANXTXIKB-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001484657037 1395464627 /nfs/dbraw/zinc/46/46/27/1395464627.db2.gz YHWPGQQDORNFGZ-SFHVURJKSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484757107 1395508128 /nfs/dbraw/zinc/50/81/28/1395508128.db2.gz JHLDNGJVGSJDTJ-SFHVURJKSA-N 2 0 345.531 3.178 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001485766740 1396143481 /nfs/dbraw/zinc/14/34/81/1396143481.db2.gz PYXWGBGGISBISS-SFHVURJKSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001492873761 1396327529 /nfs/dbraw/zinc/32/75/29/1396327529.db2.gz SPDUMFAPTHYACZ-LJQANCHMSA-N 2 0 349.494 3.201 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493240645 1396338653 /nfs/dbraw/zinc/33/86/53/1396338653.db2.gz SPEYTPSUYYUZPS-MSOLQXFVSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493240648 1396338704 /nfs/dbraw/zinc/33/87/04/1396338704.db2.gz SPEYTPSUYYUZPS-ZWKOTPCHSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(C(C)C)cc1 ZINC001493878335 1396344115 /nfs/dbraw/zinc/34/41/15/1396344115.db2.gz LRGNLMFTWAXNHI-LJQANCHMSA-N 2 0 345.531 3.307 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156736 1396388621 /nfs/dbraw/zinc/38/86/21/1396388621.db2.gz IMIHKPJOCCMWKH-MOPGFXCFSA-N 2 0 345.531 3.178 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494319996 1396430034 /nfs/dbraw/zinc/43/00/34/1396430034.db2.gz BYQBRYCCORFZHX-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001495963392 1396579605 /nfs/dbraw/zinc/57/96/05/1396579605.db2.gz IPFWEZGEPZLCDU-IBGZPJMESA-N 2 0 349.563 3.460 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001497991090 1396905674 /nfs/dbraw/zinc/90/56/74/1396905674.db2.gz TYGXGQKBZAUVHG-QGZVFWFLSA-N 2 0 345.531 3.427 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)C1)CC(C)(C)C ZINC001690046784 1404280781 /nfs/dbraw/zinc/28/07/81/1404280781.db2.gz PEKGWBBFDURYNB-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001690455563 1404584330 /nfs/dbraw/zinc/58/43/30/1404584330.db2.gz VVDLTHIBABFOEH-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001690616513 1404654327 /nfs/dbraw/zinc/65/43/27/1404654327.db2.gz KHKRKNNFQMICHT-DLBZAZTESA-N 2 0 345.531 3.307 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690718689 1404697096 /nfs/dbraw/zinc/69/70/96/1404697096.db2.gz MQZZEKLWQGKIDL-KRWDZBQOSA-N 2 0 342.487 3.131 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814864 1404749962 /nfs/dbraw/zinc/74/99/62/1404749962.db2.gz MSLDTXAAKJZESP-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001691082134 1405015971 /nfs/dbraw/zinc/01/59/71/1405015971.db2.gz GDPVYXYZCROONL-PKOBYXMFSA-N 2 0 343.515 3.121 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001691082133 1405016191 /nfs/dbraw/zinc/01/61/91/1405016191.db2.gz GDPVYXYZCROONL-MJGOQNOKSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691831587 1405545399 /nfs/dbraw/zinc/54/53/99/1405545399.db2.gz XRXCPWHAMYNCSG-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001731630067 1427681634 /nfs/dbraw/zinc/68/16/34/1427681634.db2.gz UYUZYKFKPVRYKS-CVEARBPZSA-N 2 0 349.494 3.101 20 0 EGADRP CCC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001692016335 1405736298 /nfs/dbraw/zinc/73/62/98/1405736298.db2.gz DRINVOAUFQAEEZ-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001732087032 1428348075 /nfs/dbraw/zinc/34/80/75/1428348075.db2.gz IDDGVIDYZGRZDM-MJGOQNOKSA-N 2 0 339.568 3.179 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001732485284 1428608411 /nfs/dbraw/zinc/60/84/11/1428608411.db2.gz HWIZAOQNNUGTAT-WMZOPIPTSA-N 2 0 339.568 3.227 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001732525981 1428645508 /nfs/dbraw/zinc/64/55/08/1428645508.db2.gz ROZBUIIBHRKJQY-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001699423203 1412738730 /nfs/dbraw/zinc/73/87/30/1412738730.db2.gz LIEDOWKXPXSFEX-INIZCTEOSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001699474548 1412865231 /nfs/dbraw/zinc/86/52/31/1412865231.db2.gz QGBFXXOAKGAQBI-IRXDYDNUSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001699799497 1413210326 /nfs/dbraw/zinc/21/03/26/1413210326.db2.gz OSSPZLYVADPAGB-IBGZPJMESA-N 2 0 331.504 3.035 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CCC1)[NH+](C)C ZINC001700154924 1413569866 /nfs/dbraw/zinc/56/98/66/1413569866.db2.gz IXYFHNUUQQKKDS-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001700321294 1413786876 /nfs/dbraw/zinc/78/68/76/1413786876.db2.gz YYSVZDXATDQHAA-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C(=O)N(CC[N@H+](C)Cc1ccccc1C)C(C)C)[NH+](C)C ZINC001700972900 1414601163 /nfs/dbraw/zinc/60/11/63/1414601163.db2.gz BRGFKHPTUXNAHG-IBGZPJMESA-N 2 0 333.520 3.004 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001713060609 1417616526 /nfs/dbraw/zinc/61/65/26/1417616526.db2.gz GSOGKVIAUJGVER-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001713094288 1417642789 /nfs/dbraw/zinc/64/27/89/1417642789.db2.gz BCMSJLNOEIJGRE-MJGOQNOKSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cc(C)cc(C)c1 ZINC001713256304 1417857022 /nfs/dbraw/zinc/85/70/22/1417857022.db2.gz DRNUFDBOFZOSOO-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCC2=CCCCC2)C1 ZINC001713267715 1417876835 /nfs/dbraw/zinc/87/68/35/1417876835.db2.gz AQHYLUFCUMSHED-UXHICEINSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001713271396 1417883426 /nfs/dbraw/zinc/88/34/26/1417883426.db2.gz IRMFCBUQUXSNIZ-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001713360958 1417975746 /nfs/dbraw/zinc/97/57/46/1417975746.db2.gz SBLZRZHMBQNUSW-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001713714459 1418478349 /nfs/dbraw/zinc/47/83/49/1418478349.db2.gz DYTKOBLIBXMLDB-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH+](C)CCCC3CCC3)CC2)C1 ZINC001713766428 1418579949 /nfs/dbraw/zinc/57/99/49/1418579949.db2.gz ZOMBHEKFWVBNFF-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001713848493 1418644415 /nfs/dbraw/zinc/64/44/15/1418644415.db2.gz AJLAWBVQVMXELJ-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001713959581 1418741212 /nfs/dbraw/zinc/74/12/12/1418741212.db2.gz MTWCKQPTURQJPF-VAMGGRTRSA-N 2 0 345.531 3.161 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001714145710 1418949700 /nfs/dbraw/zinc/94/97/00/1418949700.db2.gz RFMOSTVUPUEBJZ-RBUKOAKNSA-N 2 0 346.519 3.309 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@H](CC)C1 ZINC001733203845 1429309073 /nfs/dbraw/zinc/30/90/73/1429309073.db2.gz YNALQMUHIWAACO-UXHICEINSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001714366735 1419126135 /nfs/dbraw/zinc/12/61/35/1419126135.db2.gz RXFVWEVMVGGXDT-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C/c1ccccc1)[NH+](C)C ZINC001714622566 1419390513 /nfs/dbraw/zinc/39/05/13/1419390513.db2.gz RCZOBWXRZVMODE-HHWAWRKLSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCC(C)(C)C)C1CC1 ZINC001714666786 1419455475 /nfs/dbraw/zinc/45/54/75/1419455475.db2.gz UICZHZQWTVWCRP-SFHVURJKSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C(=O)CCC[NH+](C)C ZINC001714743234 1419490269 /nfs/dbraw/zinc/49/02/69/1419490269.db2.gz LCXOXKQOEGNWSA-IAGOWNOFSA-N 2 0 345.531 3.015 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001714912356 1419659334 /nfs/dbraw/zinc/65/93/34/1419659334.db2.gz GZEDTKHENGCNDE-GOSISDBHSA-N 2 0 345.531 3.260 20 0 EGADRP CC[C@H](C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1)[NH+](CC)CC ZINC001714977684 1419712109 /nfs/dbraw/zinc/71/21/09/1419712109.db2.gz XGGGLODZSOJKCM-YLJYHZDGSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715066856 1419803312 /nfs/dbraw/zinc/80/33/12/1419803312.db2.gz VOWQUMJWACCUSS-ICSRJNTNSA-N 2 0 345.531 3.081 20 0 EGADRP CC[C@H](CNC(=O)CC[N@H+](C)CC)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001715079654 1419815774 /nfs/dbraw/zinc/81/57/74/1419815774.db2.gz AAWSIOVBPSQLEF-MJGOQNOKSA-N 2 0 349.494 3.029 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CC3CCC3)CCCC2)CCCCC1 ZINC001715098512 1419839001 /nfs/dbraw/zinc/83/90/01/1419839001.db2.gz TVQUFBPCTGKZSZ-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001715192240 1419924017 /nfs/dbraw/zinc/92/40/17/1419924017.db2.gz XZKOUUOCDUEDPP-FHWLQOOXSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001715201737 1419934634 /nfs/dbraw/zinc/93/46/34/1419934634.db2.gz JSJLZSMXJGWSDF-LYBXBRPPSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001715554205 1420248824 /nfs/dbraw/zinc/24/88/24/1420248824.db2.gz HDJHTTATZSFFSN-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001715587328 1420261633 /nfs/dbraw/zinc/26/16/33/1420261633.db2.gz LSPLDKVDCCWKNZ-QAPCUYQASA-N 2 0 349.494 3.101 20 0 EGADRP CC(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H](C)c1ccccc1 ZINC001715590208 1420262072 /nfs/dbraw/zinc/26/20/72/1420262072.db2.gz FKYQCMDJAYTQTQ-PKOBYXMFSA-N 2 0 343.515 3.106 20 0 EGADRP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)c2sccc2C[NH+](C)C)c1 ZINC001715933704 1420405870 /nfs/dbraw/zinc/40/58/70/1420405870.db2.gz RSXJTZWCOIUGQL-OAHLLOKOSA-N 2 0 345.512 3.026 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716502422 1420730633 /nfs/dbraw/zinc/73/06/33/1420730633.db2.gz RXLRDPVDGNLXQK-SFHVURJKSA-N 2 0 345.531 3.052 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001716518162 1420747233 /nfs/dbraw/zinc/74/72/33/1420747233.db2.gz LWWBPNSDSRZQPQ-RTBURBONSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccccc2F)CC1 ZINC001716799885 1420932995 /nfs/dbraw/zinc/93/29/95/1420932995.db2.gz RIGVIVZRDXPWPX-UHFFFAOYSA-N 2 0 349.494 3.028 20 0 EGADRP CC[C@H](C(=O)NCC1(C)CC[NH+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001716888618 1421012263 /nfs/dbraw/zinc/01/22/63/1421012263.db2.gz IBOATJVEYDYZPC-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001717197395 1421163543 /nfs/dbraw/zinc/16/35/43/1421163543.db2.gz YCWRGVPJAGMSDW-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001717202200 1421170540 /nfs/dbraw/zinc/17/05/40/1421170540.db2.gz OMLUNAHDIQVGCV-AZUAARDMSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717370180 1421307926 /nfs/dbraw/zinc/30/79/26/1421307926.db2.gz CQMZSQWJLAIZPJ-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC2CCCC2)CC1 ZINC001717495073 1421435391 /nfs/dbraw/zinc/43/53/91/1421435391.db2.gz RSEWWHDTACICRY-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCC1 ZINC001717539945 1421480255 /nfs/dbraw/zinc/48/02/55/1421480255.db2.gz GBNLKBAKHIZANY-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001717562589 1421498112 /nfs/dbraw/zinc/49/81/12/1421498112.db2.gz KRTWXWIYBPFKHX-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCC(C)(C)C ZINC001717855155 1421667200 /nfs/dbraw/zinc/66/72/00/1421667200.db2.gz CTVMJBURFYHYMS-DLBZAZTESA-N 2 0 337.552 3.124 20 0 EGADRP O=C(NCC[N@H+](CC1CC1)C1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001723640960 1424509292 /nfs/dbraw/zinc/50/92/92/1424509292.db2.gz OCIPFOLYQVSROW-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C2)cc1 ZINC001723876109 1424595190 /nfs/dbraw/zinc/59/51/90/1424595190.db2.gz PVODMBJCKYFFPA-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCC1)C1CCCCC1 ZINC001723927496 1424605389 /nfs/dbraw/zinc/60/53/89/1424605389.db2.gz DKYQATZLYYJPJD-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001724021813 1424631481 /nfs/dbraw/zinc/63/14/81/1424631481.db2.gz DWZLHVAXOILYOB-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724191402 1424724406 /nfs/dbraw/zinc/72/44/06/1424724406.db2.gz VYRHWIWBEFHNQE-FQEVSTJZSA-N 2 0 337.552 3.269 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001724783249 1425149348 /nfs/dbraw/zinc/14/93/48/1425149348.db2.gz IUSWKGSUULIAFK-LJQANCHMSA-N 2 0 349.563 3.458 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001724856288 1425228369 /nfs/dbraw/zinc/22/83/69/1425228369.db2.gz CQBHYNWDRAIFGQ-UHFFFAOYSA-N 2 0 345.531 3.007 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724865256 1425248451 /nfs/dbraw/zinc/24/84/51/1425248451.db2.gz CXOUBUSVSVUFES-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001725007139 1425420576 /nfs/dbraw/zinc/42/05/76/1425420576.db2.gz RFWWQHAPKZXCEB-SQGPQFPESA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)[C@@H](CCN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001725209712 1425768415 /nfs/dbraw/zinc/76/84/15/1425768415.db2.gz AUBBBTQHXFKARR-LJQANCHMSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[C@H](CCN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001725209708 1425768560 /nfs/dbraw/zinc/76/85/60/1425768560.db2.gz AUBBBTQHXFKARR-IBGZPJMESA-N 2 0 345.531 3.134 20 0 EGADRP CCCC[C@@H](C[NH2+]Cc1cccc(C)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001725232401 1425808094 /nfs/dbraw/zinc/80/80/94/1425808094.db2.gz RTTZQTAHOFGTCR-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1ccccc1F ZINC001725514694 1426204822 /nfs/dbraw/zinc/20/48/22/1426204822.db2.gz LMCQSDRXHLFBOV-IAGOWNOFSA-N 2 0 349.494 3.055 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001725601145 1426257126 /nfs/dbraw/zinc/25/71/26/1426257126.db2.gz MYFDNEJELALLRD-OXQOHEQNSA-N 2 0 345.531 3.377 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1C ZINC001725612742 1426274016 /nfs/dbraw/zinc/27/40/16/1426274016.db2.gz ACCWCKFCCSASAB-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001731571255 1427612324 /nfs/dbraw/zinc/61/23/24/1427612324.db2.gz BXHHEHCEAOLFNY-UHFFFAOYSA-N 2 0 349.494 3.015 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001731573189 1427615836 /nfs/dbraw/zinc/61/58/36/1427615836.db2.gz RCBAFXOCYKXKAV-UHFFFAOYSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001731696329 1427746213 /nfs/dbraw/zinc/74/62/13/1427746213.db2.gz WWYSORHAQFMAAG-WOJBJXKFSA-N 2 0 345.531 3.162 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001731697293 1427747964 /nfs/dbraw/zinc/74/79/64/1427747964.db2.gz CUSWKXJEGLYCLE-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)c1ccc(F)cc1 ZINC001731867841 1428117839 /nfs/dbraw/zinc/11/78/39/1428117839.db2.gz XXDUAVBCGBHFLO-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001733661814 1429854222 /nfs/dbraw/zinc/85/42/22/1429854222.db2.gz LAEVOAYBCXIVDO-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCC3CCCCCC3)CCC2)CCC1 ZINC001733716550 1429935255 /nfs/dbraw/zinc/93/52/55/1429935255.db2.gz VQYYRLKZZULKLM-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001733857374 1437689854 /nfs/dbraw/zinc/68/98/54/1437689854.db2.gz JJQDGURXSGVDNP-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001733918467 1437731694 /nfs/dbraw/zinc/73/16/94/1437731694.db2.gz PALVEKKAKNCCJP-LJQANCHMSA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734055711 1437846044 /nfs/dbraw/zinc/84/60/44/1437846044.db2.gz BNQSHYPAZVXAQL-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@@H+]1CC1CCC1 ZINC001734464072 1438120424 /nfs/dbraw/zinc/12/04/24/1438120424.db2.gz XGINEASZLZCJRK-YLJYHZDGSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1)NC(=O)CCC[NH+]1CCCC1 ZINC001734575491 1438168827 /nfs/dbraw/zinc/16/88/27/1438168827.db2.gz IQTGJSJNRYBVEC-LJQANCHMSA-N 2 0 345.531 3.183 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001734602144 1438183572 /nfs/dbraw/zinc/18/35/72/1438183572.db2.gz QYUPNCVLOSRYCV-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001751975405 1440129843 /nfs/dbraw/zinc/12/98/43/1440129843.db2.gz SWBYVCUNAPDBOJ-FQEVSTJZSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001751989450 1440131455 /nfs/dbraw/zinc/13/14/55/1440131455.db2.gz NQARXZDJAFATFU-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)cs1 ZINC001752075604 1440138348 /nfs/dbraw/zinc/13/83/48/1440138348.db2.gz GFLCAAUCWUCUNJ-ZWKOTPCHSA-N 2 0 349.544 3.012 20 0 EGADRP CC(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001752156177 1440147229 /nfs/dbraw/zinc/14/72/29/1440147229.db2.gz JDFUQBVDTSJIIV-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001752303550 1440168444 /nfs/dbraw/zinc/16/84/44/1440168444.db2.gz ULICXNCYKPBGTQ-LIXSYLKWSA-N 2 0 335.536 3.140 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)c1 ZINC001752542019 1440194609 /nfs/dbraw/zinc/19/46/09/1440194609.db2.gz DBGLQEYHPJGNFK-RLLQIKCJSA-N 2 0 343.515 3.073 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001752787134 1440211784 /nfs/dbraw/zinc/21/17/84/1440211784.db2.gz HGDYGALJRIVYRZ-ICSRJNTNSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001752790092 1440213526 /nfs/dbraw/zinc/21/35/26/1440213526.db2.gz RJTDIMLVUCDNDB-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001752818851 1440219495 /nfs/dbraw/zinc/21/94/95/1440219495.db2.gz KDSGUZZTMACPDG-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001752822347 1440221096 /nfs/dbraw/zinc/22/10/96/1440221096.db2.gz FJYNCUFZSPHJOH-XJDXJNMNSA-N 2 0 349.563 3.435 20 0 EGADRP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001752824592 1440222698 /nfs/dbraw/zinc/22/26/98/1440222698.db2.gz AKWKWAFGRJRLHS-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC(C)C ZINC001752834446 1440226915 /nfs/dbraw/zinc/22/69/15/1440226915.db2.gz SDHZKQLKLPTTCK-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001752836070 1440227770 /nfs/dbraw/zinc/22/77/70/1440227770.db2.gz KOFFSSXPALIUIP-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752836954 1440228275 /nfs/dbraw/zinc/22/82/75/1440228275.db2.gz QEFOGOVLOZSFBU-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001752839137 1440229351 /nfs/dbraw/zinc/22/93/51/1440229351.db2.gz BRKBTQTXMXGYIM-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001752851559 1440233649 /nfs/dbraw/zinc/23/36/49/1440233649.db2.gz VKIWALNLEODSEP-VIQWUECVSA-N 2 0 349.563 3.314 20 0 EGADRP CCCC[NH2+]C1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001752853388 1440234117 /nfs/dbraw/zinc/23/41/17/1440234117.db2.gz HUROISMMDJCSHF-LADRWXRNSA-N 2 0 341.515 3.016 20 0 EGADRP CC/C=C/CC[NH2+]C1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001752853449 1440234200 /nfs/dbraw/zinc/23/42/00/1440234200.db2.gz KLGNCMONFSELLK-SNAWJCMRSA-N 2 0 335.536 3.092 20 0 EGADRP CC[C@@H]([NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001752854158 1440234376 /nfs/dbraw/zinc/23/43/76/1440234376.db2.gz UYFCBYSOFFLWCB-CTWPCTMYSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001752917448 1440247554 /nfs/dbraw/zinc/24/75/54/1440247554.db2.gz MZCZZDMFXUOKRP-IRXDYDNUSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCCC(C)(C)C ZINC001752921061 1440248561 /nfs/dbraw/zinc/24/85/61/1440248561.db2.gz LEOSVAOVXVBXPW-INIZCTEOSA-N 2 0 333.520 3.282 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH2+]CCCCCF)C1)[NH+]1CCCC1 ZINC001752973810 1440255618 /nfs/dbraw/zinc/25/56/18/1440255618.db2.gz MYMPHTOKMFDSQX-SJORKVTESA-N 2 0 341.515 3.018 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752994355 1440261315 /nfs/dbraw/zinc/26/13/15/1440261315.db2.gz AINXYYDQOOHJSP-SFHVURJKSA-N 2 0 337.552 3.364 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753068355 1440286722 /nfs/dbraw/zinc/28/67/22/1440286722.db2.gz BHRJNMDUKMAOIH-LJQANCHMSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001753073901 1440290045 /nfs/dbraw/zinc/29/00/45/1440290045.db2.gz QTFOLHIFQOOPSP-KRWDZBQOSA-N 2 0 331.504 3.015 20 0 EGADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001753074922 1440290839 /nfs/dbraw/zinc/29/08/39/1440290839.db2.gz WNUHWRPAYNEDKM-SFHVURJKSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001753088366 1440297492 /nfs/dbraw/zinc/29/74/92/1440297492.db2.gz GCJHPNGEPHIQHE-IBGZPJMESA-N 2 0 345.531 3.090 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001753105239 1440305922 /nfs/dbraw/zinc/30/59/22/1440305922.db2.gz ANQCZLIRQZORHD-MOPGFXCFSA-N 2 0 335.536 3.164 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCC2)CCCCC1 ZINC001753108242 1440307283 /nfs/dbraw/zinc/30/72/83/1440307283.db2.gz KZEXFIDKTAEFOR-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001753116458 1440311619 /nfs/dbraw/zinc/31/16/19/1440311619.db2.gz VXBYRLYNRGKATA-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCCC1 ZINC001753149326 1440326730 /nfs/dbraw/zinc/32/67/30/1440326730.db2.gz WYWIVHXHRKVXGW-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001753189960 1440337544 /nfs/dbraw/zinc/33/75/44/1440337544.db2.gz UFXYUYKRONMWQH-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC001753207456 1440338929 /nfs/dbraw/zinc/33/89/29/1440338929.db2.gz HDYCABGZTMGZIU-HNNXBMFYSA-N 2 0 349.906 3.077 20 0 EGADRP CN(CC[NH2+]CCCC(C)(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753242055 1440342310 /nfs/dbraw/zinc/34/23/10/1440342310.db2.gz FCDVRBIYXYMAST-UHFFFAOYSA-N 2 0 333.520 3.236 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001753265831 1440344737 /nfs/dbraw/zinc/34/47/37/1440344737.db2.gz QEZIOIWTQGKSQS-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001753265691 1440344837 /nfs/dbraw/zinc/34/48/37/1440344837.db2.gz KHFHEPHRCICFBP-APWZRJJASA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753273829 1440345847 /nfs/dbraw/zinc/34/58/47/1440345847.db2.gz MUZICSFZIWSYNN-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC1CCC1 ZINC001753293036 1440351104 /nfs/dbraw/zinc/35/11/04/1440351104.db2.gz VNDBGQASMKFKJQ-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001753293364 1440351148 /nfs/dbraw/zinc/35/11/48/1440351148.db2.gz CVOOTWFUZYUUMD-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001753319143 1440361821 /nfs/dbraw/zinc/36/18/21/1440361821.db2.gz BBDWLSMXHBWYMJ-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001753336689 1440372856 /nfs/dbraw/zinc/37/28/56/1440372856.db2.gz YPZAMESLVSQRGL-LJQANCHMSA-N 2 0 347.547 3.047 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001753359294 1440381730 /nfs/dbraw/zinc/38/17/30/1440381730.db2.gz WJODNHHQOGOSSB-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753359869 1440381998 /nfs/dbraw/zinc/38/19/98/1440381998.db2.gz MVNCQUVYYUWCIK-RLWBPELLSA-N 2 0 349.563 3.243 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001753360019 1440382279 /nfs/dbraw/zinc/38/22/79/1440382279.db2.gz OGYMLLAAOQJCDE-IAGOWNOFSA-N 2 0 349.494 3.007 20 0 EGADRP CC/C=C/CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001753364022 1440384072 /nfs/dbraw/zinc/38/40/72/1440384072.db2.gz MEUNRXDQZZEELM-ROUKRRSUSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001753367057 1440385844 /nfs/dbraw/zinc/38/58/44/1440385844.db2.gz UMYWTVLAQGRMCF-FQEVSTJZSA-N 2 0 349.563 3.386 20 0 EGADRP C[N@H+](CCC1CCCC1)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001753367554 1440386367 /nfs/dbraw/zinc/38/63/67/1440386367.db2.gz OJTHCWOGWUXTNI-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001753427027 1440397006 /nfs/dbraw/zinc/39/70/06/1440397006.db2.gz AGUYGYIKTFCYAS-PMACEKPBSA-N 2 0 345.531 3.038 20 0 EGADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1C ZINC001753473728 1440414644 /nfs/dbraw/zinc/41/46/44/1440414644.db2.gz MPHDPAIFBBJZPE-IBGZPJMESA-N 2 0 345.531 3.244 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001753528092 1440430145 /nfs/dbraw/zinc/43/01/45/1440430145.db2.gz UCAZVFGCHZKLAE-DYESRHJHSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001753581715 1440440284 /nfs/dbraw/zinc/44/02/84/1440440284.db2.gz YSRXZYXNCTWORE-GUDVDZBRSA-N 2 0 335.536 3.090 20 0 EGADRP CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001753591225 1440442857 /nfs/dbraw/zinc/44/28/57/1440442857.db2.gz QHXDWBIEZNCSJO-YLJYHZDGSA-N 2 0 345.531 3.311 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001753595426 1440444455 /nfs/dbraw/zinc/44/44/55/1440444455.db2.gz XUMOWMZWCKFTHL-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753690121 1440466400 /nfs/dbraw/zinc/46/64/00/1440466400.db2.gz SVEVOKCKORMSSA-IEBWSBKVSA-N 2 0 349.563 3.266 20 0 EGADRP Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001753730353 1440475577 /nfs/dbraw/zinc/47/55/77/1440475577.db2.gz ZXVUFOLAMQCNQQ-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001753747540 1440481508 /nfs/dbraw/zinc/48/15/08/1440481508.db2.gz UAUILAHOLAYPGC-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC1CCCC1 ZINC001753772952 1440485940 /nfs/dbraw/zinc/48/59/40/1440485940.db2.gz LUHDZUFCKLKSIR-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](F)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001753794966 1440489544 /nfs/dbraw/zinc/48/95/44/1440489544.db2.gz FIXIZYBSXSOIBE-DLBZAZTESA-N 2 0 343.531 3.073 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C/c1ccccc1 ZINC001753796525 1440489887 /nfs/dbraw/zinc/48/98/87/1440489887.db2.gz KEYBTQYEHQGABJ-OJLWIZQOSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001753821238 1440496163 /nfs/dbraw/zinc/49/61/63/1440496163.db2.gz VIXKJDNNAPXQQU-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001753837750 1440501702 /nfs/dbraw/zinc/50/17/02/1440501702.db2.gz OSHFTDYEAANFIG-WOJBJXKFSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753971286 1440527139 /nfs/dbraw/zinc/52/71/39/1440527139.db2.gz WBNOXPVIONFRRH-YLJYHZDGSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@H](CC[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)C[NH+]1CCCC1 ZINC001754023196 1440532658 /nfs/dbraw/zinc/53/26/58/1440532658.db2.gz PTRUQRCIZRRYFX-QGZVFWFLSA-N 2 0 345.531 3.064 20 0 EGADRP CCN(CC[NH2+]CC1CCCC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001754054729 1440536096 /nfs/dbraw/zinc/53/60/96/1440536096.db2.gz NPOGFTDFCGTCNG-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)C[NH+]1CCC(C)CC1 ZINC001754074150 1440538499 /nfs/dbraw/zinc/53/84/99/1440538499.db2.gz MYDVMNYVUOMVBX-IBGZPJMESA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754267537 1440560794 /nfs/dbraw/zinc/56/07/94/1440560794.db2.gz MXGKGQKAWZBWHD-GFBZKKKVSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001754267031 1440560873 /nfs/dbraw/zinc/56/08/73/1440560873.db2.gz SUWBXOJDLJDPJN-PKOBYXMFSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754278024 1440562555 /nfs/dbraw/zinc/56/25/55/1440562555.db2.gz IHXAFXLMOKIGSN-QFBILLFUSA-N 2 0 343.515 3.033 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754330756 1440583716 /nfs/dbraw/zinc/58/37/16/1440583716.db2.gz NTQMPKJWRGCLDF-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001754344997 1440589611 /nfs/dbraw/zinc/58/96/11/1440589611.db2.gz KGRIRAJPAVWBGU-QFBILLFUSA-N 2 0 342.487 3.177 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001754374282 1440592890 /nfs/dbraw/zinc/59/28/90/1440592890.db2.gz YXZMFKXEOIDOAP-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CCC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001754449529 1440600807 /nfs/dbraw/zinc/60/08/07/1440600807.db2.gz TWFPMNAWGZXLIU-FFZOFVMBSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001754538607 1440625487 /nfs/dbraw/zinc/62/54/87/1440625487.db2.gz MYURBCBSAMUVLO-VQTJNVASSA-N 2 0 347.547 3.142 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001754542285 1440626445 /nfs/dbraw/zinc/62/64/45/1440626445.db2.gz LMKHNEZNMMOVID-ZOYAEOFMSA-N 2 0 347.547 3.281 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001754628567 1440647028 /nfs/dbraw/zinc/64/70/28/1440647028.db2.gz YCWONAPTLUQXNS-PXEQJPNCSA-N 2 0 349.563 3.434 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)c1 ZINC001754648853 1440651302 /nfs/dbraw/zinc/65/13/02/1440651302.db2.gz BZWIJMIKVBPCJD-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001754655722 1440653334 /nfs/dbraw/zinc/65/33/34/1440653334.db2.gz SNJIVCXKKZRKBR-RTBURBONSA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001754679315 1440661351 /nfs/dbraw/zinc/66/13/51/1440661351.db2.gz PHMFKPWGNULOJD-QUCCMNQESA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001754702434 1440668282 /nfs/dbraw/zinc/66/82/82/1440668282.db2.gz SFVRLCGKAFEKGK-OAQYLSRUSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001754722033 1440673582 /nfs/dbraw/zinc/67/35/82/1440673582.db2.gz JMNVUIJVWAOSRD-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CCC3CCCC3)C2)CCC1 ZINC001754727921 1440677552 /nfs/dbraw/zinc/67/75/52/1440677552.db2.gz PXMAXHVWSYIDLD-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754800399 1440690383 /nfs/dbraw/zinc/69/03/83/1440690383.db2.gz UERZUHIYUOJIRF-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001754831573 1440695548 /nfs/dbraw/zinc/69/55/48/1440695548.db2.gz GWHDNSQLHSXBFC-VBUUOAMHSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754914777 1440708476 /nfs/dbraw/zinc/70/84/76/1440708476.db2.gz MICNAKMUDRTDLQ-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001754915854 1440708735 /nfs/dbraw/zinc/70/87/35/1440708735.db2.gz KFOMISZPSPFOMK-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H]([NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001754942525 1440712052 /nfs/dbraw/zinc/71/20/52/1440712052.db2.gz JYJWZYWQIUHUGX-ICSRJNTNSA-N 2 0 343.515 3.062 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)C)CC3)CC[N@@H+]1C ZINC001754962089 1440717790 /nfs/dbraw/zinc/71/77/90/1440717790.db2.gz QOWBHQPIOPXMPL-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001754988016 1440723476 /nfs/dbraw/zinc/72/34/76/1440723476.db2.gz OHLJGRNYLXMZLE-QGZVFWFLSA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001755031660 1440731906 /nfs/dbraw/zinc/73/19/06/1440731906.db2.gz XGDYOIPJOFZNFF-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1c(C(=O)N(C)CCC[N@@H+](C)CC2CC(C)C2)ccc2c[nH+]cn21 ZINC001755040148 1440736630 /nfs/dbraw/zinc/73/66/30/1440736630.db2.gz KXDMXHCEDLMICT-UHFFFAOYSA-N 2 0 342.487 3.083 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001755043344 1440738811 /nfs/dbraw/zinc/73/88/11/1440738811.db2.gz SNIWQPJOKFDENV-AZUAARDMSA-N 2 0 345.531 3.260 20 0 EGADRP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001755044329 1440739611 /nfs/dbraw/zinc/73/96/11/1440739611.db2.gz QDKGHJXWWCLFSB-MSOLQXFVSA-N 2 0 339.568 3.323 20 0 EGADRP CCC1([NH2+]CCC2CC2)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001755072415 1440747001 /nfs/dbraw/zinc/74/70/01/1440747001.db2.gz WYUUFZPRXKTJLY-UHFFFAOYSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1)c1ccccc1 ZINC001755102692 1440753604 /nfs/dbraw/zinc/75/36/04/1440753604.db2.gz UPPSNDLULGPQPW-JIMNIMLASA-N 2 0 349.906 3.013 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001755133651 1440757676 /nfs/dbraw/zinc/75/76/76/1440757676.db2.gz YDUQLAANYBDQRF-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142756 1440761661 /nfs/dbraw/zinc/76/16/61/1440761661.db2.gz FELDMLYQCAEVHM-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C)cs1 ZINC001755162667 1440765589 /nfs/dbraw/zinc/76/55/89/1440765589.db2.gz YBMKYJRRHKPPKT-RHSMWYFYSA-N 2 0 349.544 3.010 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755197622 1440777759 /nfs/dbraw/zinc/77/77/59/1440777759.db2.gz YNDTXAVSRGMGLU-DKFQHHCZSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C)[NH+](CC)CC ZINC001755198805 1440778463 /nfs/dbraw/zinc/77/84/63/1440778463.db2.gz HRLNKTHADZVLJB-ZWKOTPCHSA-N 2 0 339.568 3.466 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001755204657 1440781807 /nfs/dbraw/zinc/78/18/07/1440781807.db2.gz MBZXZHFLKQPNNI-RBUKOAKNSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CC2CC(NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001755221688 1440784786 /nfs/dbraw/zinc/78/47/86/1440784786.db2.gz HLBSVZBHWDXFLU-LMDPOFIKSA-N 2 0 345.531 3.189 20 0 EGADRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCCC1CCCC1 ZINC001755239731 1440789244 /nfs/dbraw/zinc/78/92/44/1440789244.db2.gz GNZYEKRGOVJUAN-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001755278644 1440799849 /nfs/dbraw/zinc/79/98/49/1440799849.db2.gz LQAWXKSJGKIJMX-VIQWUECVSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001755363371 1440832960 /nfs/dbraw/zinc/83/29/60/1440832960.db2.gz IILVHVPECRVHNR-OALUTQOASA-N 2 0 337.552 3.412 20 0 EGADRP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755366291 1440834566 /nfs/dbraw/zinc/83/45/66/1440834566.db2.gz OTNCXXYDVTXHAT-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755376550 1440838305 /nfs/dbraw/zinc/83/83/05/1440838305.db2.gz FQXSWCFNTACHBN-AEFFLSMTSA-N 2 0 337.552 3.122 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755413232 1440847202 /nfs/dbraw/zinc/84/72/02/1440847202.db2.gz VMWKNUGTCPPGCR-YMHTTXFNSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CC2CCCC2)CC1(C)C)[NH+]1CCCC1 ZINC001755415940 1440848837 /nfs/dbraw/zinc/84/88/37/1440848837.db2.gz NWNONXJBXSNNQR-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)CC1(C)C)[NH+]1CCCC1 ZINC001755415938 1440849005 /nfs/dbraw/zinc/84/90/05/1440849005.db2.gz NWNONXJBXSNNQR-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001755472514 1440859032 /nfs/dbraw/zinc/85/90/32/1440859032.db2.gz XWRVSULQXYRXDH-KZNAEPCWSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001755473809 1440859164 /nfs/dbraw/zinc/85/91/64/1440859164.db2.gz XSBKHLADELLBOL-ZULIPRJHSA-N 2 0 343.515 3.106 20 0 EGADRP C[C@H](CCC[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001755498473 1440862412 /nfs/dbraw/zinc/86/24/12/1440862412.db2.gz JNXVKACIPIYKCM-GOSISDBHSA-N 2 0 345.531 3.326 20 0 EGADRP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001755520721 1440864960 /nfs/dbraw/zinc/86/49/60/1440864960.db2.gz UWSUVPRTOZDUFA-IBGZPJMESA-N 2 0 345.531 3.101 20 0 EGADRP C[N@H+](CCCC1CCC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001755530644 1440867018 /nfs/dbraw/zinc/86/70/18/1440867018.db2.gz KNVLUJXBCVXCJE-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001755531485 1440867531 /nfs/dbraw/zinc/86/75/31/1440867531.db2.gz QIXKWUHVKAUYJV-UHFFFAOYSA-N 2 0 337.552 3.364 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)CCC2=CCCCC2)CC1 ZINC001755532331 1440867977 /nfs/dbraw/zinc/86/79/77/1440867977.db2.gz LBGMLZKIKXFGGH-UHFFFAOYSA-N 2 0 335.536 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001755663681 1440893145 /nfs/dbraw/zinc/89/31/45/1440893145.db2.gz NIUSKZCQYAEPLZ-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CCCC[NH+](C)C ZINC001755689444 1440896401 /nfs/dbraw/zinc/89/64/01/1440896401.db2.gz PATJKBPCWVBQIC-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CCC[N@@H+]1CC1CC1 ZINC001755716910 1440905348 /nfs/dbraw/zinc/90/53/48/1440905348.db2.gz POKYVJNMSGYKOE-YJBOKZPZSA-N 2 0 335.536 3.019 20 0 EGADRP Cc1cc(C)cc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001755720120 1440906954 /nfs/dbraw/zinc/90/69/54/1440906954.db2.gz CPYFDQMPYPJXGG-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001755743880 1440912167 /nfs/dbraw/zinc/91/21/67/1440912167.db2.gz OURFPNVOQXLSLF-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001755821838 1440925990 /nfs/dbraw/zinc/92/59/90/1440925990.db2.gz KGWIGFSQKANSNN-XHVFGDHJSA-N 2 0 337.552 3.194 20 0 EGADRP CC(C)(C)[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001755837533 1440930684 /nfs/dbraw/zinc/93/06/84/1440930684.db2.gz SJYFQORPJLZJLB-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001755843777 1440932542 /nfs/dbraw/zinc/93/25/42/1440932542.db2.gz VEQWBKYHWWCDAI-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001755868809 1440938418 /nfs/dbraw/zinc/93/84/18/1440938418.db2.gz HYBDDABEVFJSMY-XDXAGZTOSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1=CC[NH+](CCC2CC2)CC1 ZINC001755889332 1440941055 /nfs/dbraw/zinc/94/10/55/1440941055.db2.gz FXWCRVNMLUHMDX-UHFFFAOYSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc3[nH]ccc3c[nH+]1)[C@H]2C ZINC001164862530 720933184 /nfs/dbraw/zinc/93/31/84/720933184.db2.gz WFZCRXGVSPRNNC-AWEZNQCLSA-N 2 0 338.459 3.181 20 0 EGADRP Nc1cccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164993189 722196287 /nfs/dbraw/zinc/19/62/87/722196287.db2.gz CIYKYEYLQJKNOI-LJQANCHMSA-N 2 0 326.419 3.048 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824947768 947003488 /nfs/dbraw/zinc/00/34/88/947003488.db2.gz QMGCLMUHBBMXCR-HZPDHXFCSA-N 2 0 342.491 3.029 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825413278 947182872 /nfs/dbraw/zinc/18/28/72/947182872.db2.gz ZQDIYTJVVHQAJF-GJZGRUSLSA-N 2 0 330.480 3.028 20 0 EGADRP CC[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530561 168369298 /nfs/dbraw/zinc/36/92/98/168369298.db2.gz NLRVELWZHQJGAW-UYAOXDASSA-N 2 0 326.488 3.373 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCC[NH+]1CCCCC1 ZINC000175028427 231370571 /nfs/dbraw/zinc/37/05/71/231370571.db2.gz WWVRJFGABFCTGS-UHFFFAOYSA-N 2 0 343.471 3.100 20 0 EGADRP C[N@H+](CCCO)C1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187297758 529894046 /nfs/dbraw/zinc/89/40/46/529894046.db2.gz UPBVIBMNZGZYIG-SFTDATJTSA-N 2 0 330.516 3.275 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cnn1C ZINC000177959427 232042171 /nfs/dbraw/zinc/04/21/71/232042171.db2.gz JWZBLQMWSSLWJM-CABCVRRESA-N 2 0 330.476 3.081 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000102514378 219207693 /nfs/dbraw/zinc/20/76/93/219207693.db2.gz KVKDHGRIDBTSDM-UHFFFAOYSA-N 2 0 332.488 3.018 20 0 EGADRP OC1CC[NH+](CCC[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180215495 233791135 /nfs/dbraw/zinc/79/11/35/233791135.db2.gz CPBZSFLPANYAPG-UHFFFAOYSA-N 2 0 338.495 3.255 20 0 EGADRP COc1cccc2cc([C@@H](C)[NH2+]CCCN3CCC[N@H+](C)CC3)oc21 ZINC000181705926 234293685 /nfs/dbraw/zinc/29/36/85/234293685.db2.gz VBABUVIKMZQIGZ-MRXNPFEDSA-N 2 0 345.487 3.120 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC[N@@H+]1C ZINC000151163063 291082565 /nfs/dbraw/zinc/08/25/65/291082565.db2.gz NXOQWGANGUODGV-YJBOKZPZSA-N 2 0 336.907 3.461 20 0 EGADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000187994059 236374410 /nfs/dbraw/zinc/37/44/10/236374410.db2.gz GCEKKLMIBNLNPS-PWRODBHTSA-N 2 0 330.516 3.323 20 0 EGADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000189573075 237034718 /nfs/dbraw/zinc/03/47/18/237034718.db2.gz YOONEZAFEXSEKI-VXKWHMMOSA-N 2 0 341.543 3.210 20 0 EGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415014555 309114368 /nfs/dbraw/zinc/11/43/68/309114368.db2.gz MRPHMMSSNMVZMI-CHWSQXEVSA-N 2 0 341.883 3.173 20 0 EGADRP [NH3+][C@@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000119643390 283546362 /nfs/dbraw/zinc/54/63/62/283546362.db2.gz VKFQQXZZCPRGDJ-ICSRJNTNSA-N 2 0 343.515 3.191 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193207000 240058558 /nfs/dbraw/zinc/05/85/58/240058558.db2.gz AIVSQZHIPDOOQZ-MRXNPFEDSA-N 2 0 336.888 3.258 20 0 EGADRP c1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000132775451 223361808 /nfs/dbraw/zinc/36/18/08/223361808.db2.gz VOGOLYBWGBKFMO-RXVVDRJESA-N 2 0 328.500 3.098 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000247129534 243378701 /nfs/dbraw/zinc/37/87/01/243378701.db2.gz VISQYFNJYVVYNU-ZWOKBUDYSA-N 2 0 334.504 3.483 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262680022 245114461 /nfs/dbraw/zinc/11/44/61/245114461.db2.gz WHIHPTXPCJCGKT-POAQFYNOSA-N 2 0 331.504 3.015 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262697850 245128875 /nfs/dbraw/zinc/12/88/75/245128875.db2.gz FOLMZEKKPGVTOO-JXFKEZNVSA-N 2 0 331.504 3.052 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000263230055 245365186 /nfs/dbraw/zinc/36/51/86/245365186.db2.gz BUUPZTSBNCSODH-LPHOPBHVSA-N 2 0 343.515 3.195 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@@H]3C)cc12 ZINC000377348541 169013565 /nfs/dbraw/zinc/01/35/65/169013565.db2.gz VNVQSWVDGKFULL-UZLBHIALSA-N 2 0 349.482 3.029 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000268788893 252239926 /nfs/dbraw/zinc/23/99/26/252239926.db2.gz CHPITJYQOLYGEZ-CQSZACIVSA-N 2 0 326.506 3.036 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000268852112 252300283 /nfs/dbraw/zinc/30/02/83/252300283.db2.gz HJJZAEKJNFSOMD-GHTZIAJQSA-N 2 0 329.532 3.361 20 0 EGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCc4ccccc43)ccn2)CC1 ZINC000112528849 220343586 /nfs/dbraw/zinc/34/35/86/220343586.db2.gz GVYFRRRIOBYFBZ-FQEVSTJZSA-N 2 0 336.483 3.001 20 0 EGADRP COc1c(Br)cccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000187207965 533384659 /nfs/dbraw/zinc/38/46/59/533384659.db2.gz NCCYXEIHMYEJFB-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP Fc1cccc(CCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000182819587 140990426 /nfs/dbraw/zinc/99/04/26/140990426.db2.gz BUUHCFUWSIUCJW-UHFFFAOYSA-N 2 0 334.479 3.335 20 0 EGADRP C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246505037 141012764 /nfs/dbraw/zinc/01/27/64/141012764.db2.gz QDZFQHDXTQIXSJ-MJQMVNBJSA-N 2 0 345.531 3.195 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246949601 141046094 /nfs/dbraw/zinc/04/60/94/141046094.db2.gz IHHQHJVGZOOIEB-WMLDXEAASA-N 2 0 337.895 3.379 20 0 EGADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812888 141149965 /nfs/dbraw/zinc/14/99/65/141149965.db2.gz DOEJDRBKHJMPTQ-WIYYLYMNSA-N 2 0 346.515 3.454 20 0 EGADRP O[C@@]1(CNCc2ccc(F)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000344514020 141167029 /nfs/dbraw/zinc/16/70/29/141167029.db2.gz BYRDFXADGCBIHU-LJQANCHMSA-N 2 0 348.849 3.206 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H](C[NH+](CC)CC)C1)[N@H+](C)Cc1ccccc1 ZINC000354572476 141308416 /nfs/dbraw/zinc/30/84/16/141308416.db2.gz IDYAWSCWTCSIHV-UXHICEINSA-N 2 0 345.531 3.087 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CCSCC1 ZINC000187279818 144156129 /nfs/dbraw/zinc/15/61/29/144156129.db2.gz IOLLUSHYLMWAOE-INIZCTEOSA-N 2 0 348.556 3.265 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C ZINC000344686439 144210104 /nfs/dbraw/zinc/21/01/04/144210104.db2.gz RRHNEGWHFVEPJI-AEFFLSMTSA-N 2 0 325.456 3.233 20 0 EGADRP CC1CCN(CC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000357068562 144327085 /nfs/dbraw/zinc/32/70/85/144327085.db2.gz OFSBANAQRSYEID-UHFFFAOYSA-N 2 0 344.547 3.352 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119935406 152239080 /nfs/dbraw/zinc/23/90/80/152239080.db2.gz IEPAARMBQWLQRR-UTKZUKDTSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCC[NH2+]C1 ZINC000120131637 152253542 /nfs/dbraw/zinc/25/35/42/152253542.db2.gz HGEIOCKDOCSPTM-NRFANRHFSA-N 2 0 343.515 3.069 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CN1CCN(c2cc(C)ccn2)CC1 ZINC000120888974 152307481 /nfs/dbraw/zinc/30/74/81/152307481.db2.gz HFGSEFVLOGXWMR-UHFFFAOYSA-N 2 0 347.466 3.206 20 0 EGADRP Cc1ccc(-c2nnc([C@@H](C)N3CC[C@H](C[NH+](C)C)C3)o2)cc1C ZINC000120922525 152309557 /nfs/dbraw/zinc/30/95/57/152309557.db2.gz ZNAIBUWKEUYDKS-HZPDHXFCSA-N 2 0 328.460 3.298 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cn1 ZINC000190728777 153155644 /nfs/dbraw/zinc/15/56/44/153155644.db2.gz OAWWDTQQTNWCME-UHFFFAOYSA-N 2 0 326.488 3.278 20 0 EGADRP CC[NH+](CC)CCCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000191472357 153199638 /nfs/dbraw/zinc/19/96/38/153199638.db2.gz AUXFJZKIEFRHAU-UHFFFAOYSA-N 2 0 343.475 3.043 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000191536154 153204249 /nfs/dbraw/zinc/20/42/49/153204249.db2.gz LYJMBJNPKUIANW-RVSPLBMKSA-N 2 0 347.894 3.047 20 0 EGADRP CCN(C)c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000191603495 153209934 /nfs/dbraw/zinc/20/99/34/153209934.db2.gz XMLBBGWYDDBPCG-FXAWDEMLSA-N 2 0 338.499 3.148 20 0 EGADRP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)cc1 ZINC000192782223 153260903 /nfs/dbraw/zinc/26/09/03/153260903.db2.gz RYFPRUDEXXHCEL-OTYNDTSQSA-N 2 0 327.516 3.347 20 0 EGADRP COc1ncccc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193428317 153291036 /nfs/dbraw/zinc/29/10/36/153291036.db2.gz VJRHWCKUXZQTEN-UHFFFAOYSA-N 2 0 325.456 3.187 20 0 EGADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000261798406 153725852 /nfs/dbraw/zinc/72/58/52/153725852.db2.gz ZRTBANGWMFZKJH-HSALFYBXSA-N 2 0 331.504 3.350 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000261825347 153732103 /nfs/dbraw/zinc/73/21/03/153732103.db2.gz IQZCNPJPOPEVDW-UHFFFAOYSA-N 2 0 326.488 3.217 20 0 EGADRP c1nn2ccccc2c1C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000311798654 154149180 /nfs/dbraw/zinc/14/91/80/154149180.db2.gz KDCRMETWAXFZRJ-JBACZVJFSA-N 2 0 346.478 3.335 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414855020 309105803 /nfs/dbraw/zinc/10/58/03/309105803.db2.gz MRQOHPABLOKMRQ-KKUMJFAQSA-N 2 0 337.895 3.343 20 0 EGADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337327288 154285497 /nfs/dbraw/zinc/28/54/97/154285497.db2.gz DBAFNQNFSKSQSD-KZNAEPCWSA-N 2 0 334.504 3.199 20 0 EGADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000337347633 154297506 /nfs/dbraw/zinc/29/75/06/154297506.db2.gz XTOBJOINLBPOEB-SQNIBIBYSA-N 2 0 334.504 3.199 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000337356502 154304245 /nfs/dbraw/zinc/30/42/45/154304245.db2.gz ARMIGOIQVMRMSI-NVXWUHKLSA-N 2 0 334.504 3.265 20 0 EGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C1CCN(CCO)CC1 ZINC000337499142 154383507 /nfs/dbraw/zinc/38/35/07/154383507.db2.gz KPRHEYKXSYONMU-ZDUSSCGKSA-N 2 0 330.394 3.155 20 0 EGADRP C[C@H](C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000339990133 155062726 /nfs/dbraw/zinc/06/27/26/155062726.db2.gz XLHWKWNYJFNALL-RTBURBONSA-N 2 0 345.531 3.123 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]21 ZINC000346845186 156160781 /nfs/dbraw/zinc/16/07/81/156160781.db2.gz ZSXDEFACSRYTKP-JCGIZDLHSA-N 2 0 330.863 3.085 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)cc2cccnc21 ZINC000348901781 156282181 /nfs/dbraw/zinc/28/21/81/156282181.db2.gz AGVKOGVGNVCQJV-UHFFFAOYSA-N 2 0 346.494 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(C(C)C)s1 ZINC000349039439 156327985 /nfs/dbraw/zinc/32/79/85/156327985.db2.gz XLDWZLHRTNPGEL-MRXNPFEDSA-N 2 0 338.565 3.114 20 0 EGADRP Cc1ccc2[nH]c(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)cc2c1C ZINC000349060053 156337721 /nfs/dbraw/zinc/33/77/21/156337721.db2.gz DXZCSBRQYMQVFJ-UHFFFAOYSA-N 2 0 342.531 3.243 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000349079654 156345210 /nfs/dbraw/zinc/34/52/10/156345210.db2.gz JNIJFWNPFHJZTG-IBGZPJMESA-N 2 0 331.504 3.019 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c1)O[C@@H](C)C2 ZINC000349131019 156363152 /nfs/dbraw/zinc/36/31/52/156363152.db2.gz PDJCVHDARDTVKV-DOTOQJQBSA-N 2 0 344.499 3.182 20 0 EGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523263 161522753 /nfs/dbraw/zinc/52/27/53/161522753.db2.gz VZWXVPGSVQGCKR-MSOLQXFVSA-N 2 0 345.531 3.224 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093397839 162007424 /nfs/dbraw/zinc/00/74/24/162007424.db2.gz BNXKQJFMYOUFGQ-IEBWSBKVSA-N 2 0 333.520 3.070 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000093688348 162022945 /nfs/dbraw/zinc/02/29/45/162022945.db2.gz WYTYRFNGNUXWBS-UHFFFAOYSA-N 2 0 326.488 3.426 20 0 EGADRP CC[NH+]1CCC(N(C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000125211859 162267696 /nfs/dbraw/zinc/26/76/96/162267696.db2.gz DXEZSMHZOYBNRG-UHFFFAOYSA-N 2 0 332.879 3.442 20 0 EGADRP Cc1csc(N2CCC([NH2+]C[C@H](C)C[NH+]3CCCCC3)CC2)n1 ZINC000125584561 162278831 /nfs/dbraw/zinc/27/88/31/162278831.db2.gz PFCMLSPTVDRVQN-HNNXBMFYSA-N 2 0 336.549 3.132 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000126456360 162304107 /nfs/dbraw/zinc/30/41/07/162304107.db2.gz UVVZMUNLVPBZJC-GHTZIAJQSA-N 3 0 329.532 3.348 20 0 EGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC(F)F)cc1 ZINC000151869049 162606624 /nfs/dbraw/zinc/60/66/24/162606624.db2.gz URSKEQHITUETEK-QGZVFWFLSA-N 2 0 342.430 3.033 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248445489 163005695 /nfs/dbraw/zinc/00/56/95/163005695.db2.gz MNRYUNJLXBFQHX-KBXCAEBGSA-N 2 0 346.421 3.382 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000249089726 163055964 /nfs/dbraw/zinc/05/59/64/163055964.db2.gz KDENHHGLPDEEFY-MXEMCNAFSA-N 2 0 340.511 3.446 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000354310459 166001464 /nfs/dbraw/zinc/00/14/64/166001464.db2.gz COCPIMDCQZICPY-UHFFFAOYSA-N 2 0 331.504 3.134 20 0 EGADRP C[C@H]1CC(CC[NH2+]C2CCN(Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000338793767 163350182 /nfs/dbraw/zinc/35/01/82/163350182.db2.gz NXCJZNHLGCQMBZ-IRXDYDNUSA-N 2 0 331.504 3.229 20 0 EGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000354371548 166010984 /nfs/dbraw/zinc/01/09/84/166010984.db2.gz ILOMXJQCGNFMRP-HXUWFJFHSA-N 2 0 343.515 3.277 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCSC2)CC1 ZINC000342284509 163835872 /nfs/dbraw/zinc/83/58/72/163835872.db2.gz IIEGWURXUBLZMB-KRWDZBQOSA-N 2 0 333.545 3.061 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nc2ccccc2n1C ZINC000246176150 287023496 /nfs/dbraw/zinc/02/34/96/287023496.db2.gz VVPRFWDZPDGOTM-BRWVUGGUSA-N 2 0 344.503 3.113 20 0 EGADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343987649 164077575 /nfs/dbraw/zinc/07/75/75/164077575.db2.gz OFZITLLWRHTXPW-HXUWFJFHSA-N 2 0 341.499 3.379 20 0 EGADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343995601 164078860 /nfs/dbraw/zinc/07/88/60/164078860.db2.gz TWBLGVHXHLUQQG-FQEVSTJZSA-N 2 0 339.483 3.498 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@@H]2C)cc1 ZINC000344421149 164175194 /nfs/dbraw/zinc/17/51/94/164175194.db2.gz HANIZBVCCOSARV-HDICACEKSA-N 2 0 345.531 3.473 20 0 EGADRP C[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000345808750 164269839 /nfs/dbraw/zinc/26/98/39/164269839.db2.gz CCQSCYVGVTVQOF-CEXWTWQISA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cc1)C1CC1 ZINC000345891874 164288163 /nfs/dbraw/zinc/28/81/63/164288163.db2.gz SUIOCBKLZGNMNK-UXHICEINSA-N 2 0 341.499 3.028 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000345965837 164305461 /nfs/dbraw/zinc/30/54/61/164305461.db2.gz RLEJTEVKROLMNW-SJORKVTESA-N 2 0 343.515 3.226 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346563852 164398370 /nfs/dbraw/zinc/39/83/70/164398370.db2.gz RMYFUZMCMDUWRI-UXHICEINSA-N 2 0 345.462 3.257 20 0 EGADRP C[N@@H+](Cc1cnc2ccccn12)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354878899 166054275 /nfs/dbraw/zinc/05/42/75/166054275.db2.gz PZROUMWRELCNQU-UHFFFAOYSA-N 2 0 335.455 3.078 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000350221774 165019623 /nfs/dbraw/zinc/01/96/23/165019623.db2.gz PNXQREMYYHACKT-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000350319809 165029644 /nfs/dbraw/zinc/02/96/44/165029644.db2.gz FWIZGHVJMJLVIE-GDBMZVCRSA-N 2 0 326.431 3.459 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000352142149 165255579 /nfs/dbraw/zinc/25/55/79/165255579.db2.gz TWTKIRUXGOESRZ-LJQANCHMSA-N 2 0 331.504 3.065 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(F)F)CC2)CC1 ZINC000353716077 165870032 /nfs/dbraw/zinc/87/00/32/165870032.db2.gz XZPNIJSYEJHDKP-UHFFFAOYSA-N 2 0 337.458 3.306 20 0 EGADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000355124618 166112756 /nfs/dbraw/zinc/11/27/56/166112756.db2.gz QXDUUICTVNIIFY-ICSRJNTNSA-N 2 0 330.520 3.152 20 0 EGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C(F)F)CC2)CC1 ZINC000355153252 166118282 /nfs/dbraw/zinc/11/82/82/166118282.db2.gz JSDXTTMOAWZDGR-UHFFFAOYSA-N 2 0 337.458 3.354 20 0 EGADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(OCC[NH+](CC)CC)CC2)CCO1 ZINC000357001009 166559987 /nfs/dbraw/zinc/55/99/87/166559987.db2.gz XKLOOGBMZUPBDZ-ZWKOTPCHSA-N 2 0 326.525 3.014 20 0 EGADRP Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(-c2cnn(C)c2)c1 ZINC000357042495 166570258 /nfs/dbraw/zinc/57/02/58/166570258.db2.gz DXQXPGSBFOBTSN-GOSISDBHSA-N 2 0 338.499 3.217 20 0 EGADRP Cc1cccc(NCC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)n1 ZINC000358387629 166849905 /nfs/dbraw/zinc/84/99/05/166849905.db2.gz UCMVCMOXKSZTAY-APWZRJJASA-N 2 0 330.520 3.435 20 0 EGADRP Cc1cc2[nH]c(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)cc2c(C)c1 ZINC000359022050 167041257 /nfs/dbraw/zinc/04/12/57/167041257.db2.gz WGDYFOHJEAKOMQ-UHFFFAOYSA-N 2 0 329.488 3.110 20 0 EGADRP C[N@@H+]1CCN(CCC[NH2+]C[C@H]2CC=CCC2)[C@@H](c2ccccc2)C1 ZINC000359080016 167062103 /nfs/dbraw/zinc/06/21/03/167062103.db2.gz DCUDWHJAQIBFRZ-PZJWPPBQSA-N 2 0 327.516 3.311 20 0 EGADRP C[C@@H]1CCC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359118974 167072208 /nfs/dbraw/zinc/07/22/08/167072208.db2.gz WKJAXTQKMBPLNY-SBHAEUEKSA-N 2 0 329.532 3.361 20 0 EGADRP Cn1nnc2cc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)ccc21 ZINC000359149359 167081897 /nfs/dbraw/zinc/08/18/97/167081897.db2.gz WUWYKDCLSPMRPK-UHFFFAOYSA-N 2 0 329.492 3.103 20 0 EGADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000359228184 167101589 /nfs/dbraw/zinc/10/15/89/167101589.db2.gz HCPULVPBIDMBKB-UZLBHIALSA-N 2 0 339.483 3.061 20 0 EGADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000359474238 167166644 /nfs/dbraw/zinc/16/66/44/167166644.db2.gz RQERUNPQNFQPIQ-SCTDSRPQSA-N 2 0 348.535 3.014 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCN(Cc2ccccn2)CC1)C1CCCCC1 ZINC000359665086 167205984 /nfs/dbraw/zinc/20/59/84/167205984.db2.gz QYSWJNIUSGPSKW-UHFFFAOYSA-N 2 0 344.547 3.290 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000360659078 167381427 /nfs/dbraw/zinc/38/14/27/167381427.db2.gz WQYWQMTUMUZCCM-NJDAHSKKSA-N 2 0 343.515 3.280 20 0 EGADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000366211148 168094807 /nfs/dbraw/zinc/09/48/07/168094807.db2.gz QMJGJJYXLUWRAX-IEBWSBKVSA-N 2 0 345.462 3.445 20 0 EGADRP Cn1c(Cl)cnc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000366922738 168157277 /nfs/dbraw/zinc/15/72/77/168157277.db2.gz GOINBNCJPQGPCG-UHFFFAOYSA-N 2 0 338.908 3.137 20 0 EGADRP COCCOCc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367355739 168212954 /nfs/dbraw/zinc/21/29/54/168212954.db2.gz FZBOMJPWVVFPSM-UHFFFAOYSA-N 2 0 346.515 3.157 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850022 168277491 /nfs/dbraw/zinc/27/74/91/168277491.db2.gz OKJJNOAFUICCGK-MRXNPFEDSA-N 2 0 339.361 3.374 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237344200 287276512 /nfs/dbraw/zinc/27/65/12/287276512.db2.gz CQTPZOCTCNVBSI-DYESRHJHSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000165289031 226118794 /nfs/dbraw/zinc/11/87/94/226118794.db2.gz ODBOKYDTFDHAFO-ROUUACIJSA-N 3 0 333.520 3.010 20 0 EGADRP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000166740528 226168285 /nfs/dbraw/zinc/16/82/85/226168285.db2.gz SINLEMPKWMBUCH-KXBFYZLASA-N 2 0 325.456 3.065 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000122051157 222004207 /nfs/dbraw/zinc/00/42/07/222004207.db2.gz LHHDHWLOZWKZFN-OAQYLSRUSA-N 2 0 348.531 3.099 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123532871 222293085 /nfs/dbraw/zinc/29/30/85/222293085.db2.gz XBAWTWHSYPUBDK-UZLBHIALSA-N 2 0 328.456 3.011 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177299120 265245755 /nfs/dbraw/zinc/24/57/55/265245755.db2.gz VYWNJVUVFDTGAY-MRXNPFEDSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177299135 265246174 /nfs/dbraw/zinc/24/61/74/265246174.db2.gz VYWNJVUVFDTGAY-INIZCTEOSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000229067082 266202922 /nfs/dbraw/zinc/20/29/22/266202922.db2.gz YCKPZZOGLXHJKF-JKSUJKDBSA-N 2 0 327.513 3.001 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[N@@H+]1C ZINC000230975521 266206339 /nfs/dbraw/zinc/20/63/39/266206339.db2.gz ZLTUMOJZTDZEFX-CABCVRRESA-N 2 0 327.513 3.094 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236941478 266220849 /nfs/dbraw/zinc/22/08/49/266220849.db2.gz QHTCVAGJRMDFKQ-VYDXJSESSA-N 2 0 337.533 3.011 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1)C(C)C ZINC000236992726 266221850 /nfs/dbraw/zinc/22/18/50/266221850.db2.gz VSRGPPHWPIKESM-APWZRJJASA-N 2 0 331.504 3.116 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc4ccccc4o3)CC2)CC1 ZINC000270938443 266578790 /nfs/dbraw/zinc/57/87/90/266578790.db2.gz RCRYXWMJRMTAQV-UHFFFAOYSA-N 2 0 341.499 3.423 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000271504089 266675952 /nfs/dbraw/zinc/67/59/52/266675952.db2.gz MQMDJIDSSZAFRB-RYGJVYDSSA-N 2 0 332.488 3.114 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000271584779 266691138 /nfs/dbraw/zinc/69/11/38/266691138.db2.gz RZCCNRRRLBGNFE-XKGZKEIXSA-N 2 0 334.504 3.481 20 0 EGADRP CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000271880892 266742547 /nfs/dbraw/zinc/74/25/47/266742547.db2.gz PHOQXZDDATXFPX-APWZRJJASA-N 2 0 334.504 3.075 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273258281 267007893 /nfs/dbraw/zinc/00/78/93/267007893.db2.gz SRYJJGNHCZLOGN-HKUYNNGSSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000273271819 267009972 /nfs/dbraw/zinc/00/99/72/267009972.db2.gz QEJUMEQAOUOSOD-GOSISDBHSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2nsnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273302694 267017108 /nfs/dbraw/zinc/01/71/08/267017108.db2.gz RPIAWQLRAPMZDJ-ZFWWWQNUSA-N 2 0 330.501 3.434 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(Br)ncc1F ZINC000273908161 267140559 /nfs/dbraw/zinc/14/05/59/267140559.db2.gz XEUBMFJSSASLOS-LLVKDONJSA-N 2 0 344.272 3.366 20 0 EGADRP CC[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[NH+](CC)CC ZINC000274081737 267177730 /nfs/dbraw/zinc/17/77/30/267177730.db2.gz RCQHYGBHLCDFDG-LJQANCHMSA-N 2 0 346.519 3.252 20 0 EGADRP C[C@H]([NH2+]CCc1cn2ccccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274950311 267310444 /nfs/dbraw/zinc/31/04/44/267310444.db2.gz UZVBCWPXAFYZSD-ICSRJNTNSA-N 2 0 348.494 3.377 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274948796 267310554 /nfs/dbraw/zinc/31/05/54/267310554.db2.gz UUSJSNXWZXZZKN-BWUHRYBWSA-N 2 0 328.500 3.444 20 0 EGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000278411413 268007196 /nfs/dbraw/zinc/00/71/96/268007196.db2.gz HREJWPIOKOGZPG-CWFSZBLJSA-N 2 0 334.479 3.492 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000278524601 268032496 /nfs/dbraw/zinc/03/24/96/268032496.db2.gz SRFZSNMRIAGYND-QGZVFWFLSA-N 2 0 343.515 3.485 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278580925 268044349 /nfs/dbraw/zinc/04/43/49/268044349.db2.gz YEAJEQVNKNQYIQ-AWEZNQCLSA-N 2 0 333.451 3.007 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110822541 275181679 /nfs/dbraw/zinc/18/16/79/275181679.db2.gz FVXGHXSGFXLPSJ-LRDDRELGSA-N 2 0 325.294 3.236 20 0 EGADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000181409059 275206931 /nfs/dbraw/zinc/20/69/31/275206931.db2.gz SJUNJTYBJNLBKS-HBMCJLEFSA-N 2 0 344.499 3.040 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192047982 275223009 /nfs/dbraw/zinc/22/30/09/275223009.db2.gz VVBBIPRMMFUJIZ-GOSISDBHSA-N 2 0 326.488 3.344 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)o1 ZINC000278624091 275260184 /nfs/dbraw/zinc/26/01/84/275260184.db2.gz GLGRCDOBEWJLCQ-BEFAXECRSA-N 2 0 328.456 3.314 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000278626537 275260470 /nfs/dbraw/zinc/26/04/70/275260470.db2.gz HSVKPCRSAQAWEY-OAHLLOKOSA-N 2 0 334.479 3.477 20 0 EGADRP CC(C)C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000279899108 275372743 /nfs/dbraw/zinc/37/27/43/275372743.db2.gz JGKQAXYWQSBVLR-HNJRGHQBSA-N 2 0 345.531 3.256 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285998466 275938869 /nfs/dbraw/zinc/93/88/69/275938869.db2.gz IMBAIINVHANWOH-JKSUJKDBSA-N 2 0 338.492 3.020 20 0 EGADRP CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000289363487 276328041 /nfs/dbraw/zinc/32/80/41/276328041.db2.gz HOZCUBHKVWEEOL-NRFANRHFSA-N 2 0 347.547 3.494 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360656557 276772968 /nfs/dbraw/zinc/77/29/68/276772968.db2.gz ISGXHVUHKMYVNT-FQEVSTJZSA-N 2 0 329.532 3.415 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123403566 276773118 /nfs/dbraw/zinc/77/31/18/276773118.db2.gz SHPRLOTZKBSUKD-WOJBJXKFSA-N 2 0 329.532 3.184 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cc(Cl)ccc43)C2)CC1 ZINC000370638707 277029009 /nfs/dbraw/zinc/02/90/09/277029009.db2.gz YRPCUBJARXVOTB-LPHOPBHVSA-N 2 0 333.907 3.085 20 0 EGADRP CSC1(C[NH2+][C@H]2CCCc3nc(C)sc32)CC[NH+](C)CC1 ZINC000353613349 277508282 /nfs/dbraw/zinc/50/82/82/277508282.db2.gz UXKNYXNTWNIPHC-ZDUSSCGKSA-N 2 0 325.547 3.246 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)c1ccccc1 ZINC000132776681 278254524 /nfs/dbraw/zinc/25/45/24/278254524.db2.gz AHEZYHURXLBKKV-ZWKOTPCHSA-N 2 0 330.516 3.443 20 0 EGADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000342695692 278511378 /nfs/dbraw/zinc/51/13/78/278511378.db2.gz PRLNAMXIWZFGTN-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000352143479 278942720 /nfs/dbraw/zinc/94/27/20/278942720.db2.gz ZNMAZIZWNMTWOE-HOTGVXAUSA-N 2 0 337.533 3.168 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000171475531 279043356 /nfs/dbraw/zinc/04/33/56/279043356.db2.gz UZHCQGBFEKSLPA-HXUWFJFHSA-N 2 0 339.483 3.057 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccc21 ZINC000338790222 279619914 /nfs/dbraw/zinc/61/99/14/279619914.db2.gz WTOKXQJUIXFUED-RBUKOAKNSA-N 2 0 330.472 3.100 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC3(CCOCC3)CC2)C[C@H](C)O1 ZINC000358049938 288159424 /nfs/dbraw/zinc/15/94/24/288159424.db2.gz SIHKLCCGCHDZAD-HDICACEKSA-N 2 0 338.536 3.205 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCCCC2 ZINC000181660966 279812842 /nfs/dbraw/zinc/81/28/42/279812842.db2.gz XCHYBNROZNGARB-RTBURBONSA-N 2 0 338.536 3.205 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358504074 280393514 /nfs/dbraw/zinc/39/35/14/280393514.db2.gz GLOHXCADIOQZNR-KRWDZBQOSA-N 2 0 329.488 3.014 20 0 EGADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000361888303 280933544 /nfs/dbraw/zinc/93/35/44/280933544.db2.gz QGDULMDPFZYKIN-HNNXBMFYSA-N 2 0 331.287 3.491 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091311210 289951585 /nfs/dbraw/zinc/95/15/85/289951585.db2.gz VVPRFWDZPDGOTM-ULQDDVLXSA-N 2 0 344.503 3.113 20 0 EGADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1(C)C ZINC000344698244 293902578 /nfs/dbraw/zinc/90/25/78/293902578.db2.gz NHTAHNWKXZXVPZ-WOJBJXKFSA-N 2 0 345.531 3.120 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000153170810 295101678 /nfs/dbraw/zinc/10/16/78/295101678.db2.gz AJLTVIARIJYCPH-BFYDXBDKSA-N 2 0 334.504 3.300 20 0 EGADRP COc1ccc([C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)cc1 ZINC000371402375 295217323 /nfs/dbraw/zinc/21/73/23/295217323.db2.gz WTEMTEKWHACAPV-RXVVDRJESA-N 2 0 345.531 3.150 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)CCCO2 ZINC000126670370 307573168 /nfs/dbraw/zinc/57/31/68/307573168.db2.gz HGONXRYUTUWBKE-FQEVSTJZSA-N 2 0 346.515 3.318 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000414059192 309058231 /nfs/dbraw/zinc/05/82/31/309058231.db2.gz ILQIUXKSDHFXKD-KRWDZBQOSA-N 2 0 327.472 3.133 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414112292 309061523 /nfs/dbraw/zinc/06/15/23/309061523.db2.gz XTAPXSDSBMNUCB-LNLFQRSKSA-N 2 0 326.488 3.371 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000414114176 309061719 /nfs/dbraw/zinc/06/17/19/309061719.db2.gz STQMPPRJAWECMY-XYJFISCASA-N 2 0 331.504 3.264 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000414168347 309064360 /nfs/dbraw/zinc/06/43/60/309064360.db2.gz ABXOLRRHJOXZKK-HOCLYGCPSA-N 2 0 345.466 3.097 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414173803 309064704 /nfs/dbraw/zinc/06/47/04/309064704.db2.gz GDXVKLNHNCWGDA-UYAOXDASSA-N 2 0 341.503 3.039 20 0 EGADRP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000414193308 309066037 /nfs/dbraw/zinc/06/60/37/309066037.db2.gz TVEJSMVKTOWETC-CJNGLKHVSA-N 2 0 328.859 3.488 20 0 EGADRP CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000414229951 309067822 /nfs/dbraw/zinc/06/78/22/309067822.db2.gz FWJLTHGNYFGMNK-GUXCAODWSA-N 2 0 334.504 3.481 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248386012 308001424 /nfs/dbraw/zinc/00/14/24/308001424.db2.gz KUUHJGDENSIKBI-BRWVUGGUSA-N 2 0 339.524 3.238 20 0 EGADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCCC1 ZINC000248621771 308007713 /nfs/dbraw/zinc/00/77/13/308007713.db2.gz ASBCBBHCTYRZLF-HSALFYBXSA-N 2 0 328.500 3.039 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000248649392 308008654 /nfs/dbraw/zinc/00/86/54/308008654.db2.gz RMNISVUYQFEWCQ-ACRUOGEOSA-N 2 0 343.559 3.430 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000249391537 308023112 /nfs/dbraw/zinc/02/31/12/308023112.db2.gz ACDUKMCFUIIPOU-HNAYVOBHSA-N 2 0 340.458 3.234 20 0 EGADRP Cc1ccc2c(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1 ZINC000292866539 308074149 /nfs/dbraw/zinc/07/41/49/308074149.db2.gz CVSTVENFGXCCJR-FQEVSTJZSA-N 2 0 326.440 3.019 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000293101734 308099551 /nfs/dbraw/zinc/09/95/51/308099551.db2.gz WMHKBZTVGFESIV-UHFFFAOYSA-N 2 0 336.430 3.278 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119772 308101067 /nfs/dbraw/zinc/10/10/67/308101067.db2.gz ZBJAMJBZSKHFKM-GOSISDBHSA-N 2 0 346.862 3.308 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550229 308140699 /nfs/dbraw/zinc/14/06/99/308140699.db2.gz DYIJCFJPGIPWCP-QGZVFWFLSA-N 2 0 328.378 3.345 20 0 EGADRP Cc1ncsc1CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000294692784 308246558 /nfs/dbraw/zinc/24/65/58/308246558.db2.gz ATNDFHMJIAJYPZ-IPMKNSEASA-N 2 0 341.524 3.494 20 0 EGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]CC3CCCCC3)cc2)CC1 ZINC000414553248 309088560 /nfs/dbraw/zinc/08/85/60/309088560.db2.gz IUKQWSNCFOGFGI-UHFFFAOYSA-N 2 0 343.515 3.054 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1OC ZINC000294910162 308270494 /nfs/dbraw/zinc/27/04/94/308270494.db2.gz DXEAUIQHBLPAJJ-TZUVLKIQSA-N 2 0 332.488 3.158 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000294927577 308272528 /nfs/dbraw/zinc/27/25/28/308272528.db2.gz AZWGZDDRQIDQAV-INIZCTEOSA-N 2 0 331.504 3.065 20 0 EGADRP COc1nccc(CNCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000294966690 308277062 /nfs/dbraw/zinc/27/70/62/308277062.db2.gz GETITIQNZNJNFN-UHFFFAOYSA-N 2 0 340.471 3.151 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]([NH3+])c1ccccc1C ZINC000295148074 308296811 /nfs/dbraw/zinc/29/68/11/308296811.db2.gz JHCAVBXUDPKACG-HXUWFJFHSA-N 2 0 339.483 3.105 20 0 EGADRP CCOC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[nH]c1C ZINC000295563135 308338880 /nfs/dbraw/zinc/33/88/80/308338880.db2.gz ZFWTYVIANVLVGP-ZBFHGGJFSA-N 2 0 347.503 3.242 20 0 EGADRP CC[NH2+]CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414715515 309097032 /nfs/dbraw/zinc/09/70/32/309097032.db2.gz QXWIAPDURVXWJF-UHFFFAOYSA-N 2 0 332.492 3.182 20 0 EGADRP COc1cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c(SC)cc1OC ZINC000414715981 309097043 /nfs/dbraw/zinc/09/70/43/309097043.db2.gz WJJJDCUYAUDFBR-ZIAGYGMSSA-N 2 0 338.517 3.246 20 0 EGADRP CCCCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000414663167 309094321 /nfs/dbraw/zinc/09/43/21/309094321.db2.gz AXIFJHMOFCZWLX-RCCFBDPRSA-N 2 0 332.488 3.433 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000414663919 309094464 /nfs/dbraw/zinc/09/44/64/309094464.db2.gz BTQRVJRPJWYHLY-GVXVVHGQSA-N 2 0 329.307 3.378 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296702185 308457551 /nfs/dbraw/zinc/45/75/51/308457551.db2.gz IFFWZEQRMBQCLI-SFHVURJKSA-N 2 0 344.499 3.351 20 0 EGADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414742269 309098363 /nfs/dbraw/zinc/09/83/63/309098363.db2.gz FYKPVOSCVDQNGE-AAEUAGOBSA-N 2 0 329.257 3.408 20 0 EGADRP COc1cccc(C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C2CCC(O)CC2)c1 ZINC000414746081 309098625 /nfs/dbraw/zinc/09/86/25/309098625.db2.gz LPLXTHIJIOWLKJ-YUKKFIBKSA-N 2 0 346.515 3.189 20 0 EGADRP COc1ccc(C[N@H+](CC2CC2)C[C@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000414758621 309099166 /nfs/dbraw/zinc/09/91/66/309099166.db2.gz VCTXFKUWHONGKP-WBVHZDCISA-N 2 0 332.488 3.304 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000414777921 309100449 /nfs/dbraw/zinc/10/04/49/309100449.db2.gz IPRLGKWZGCQIEI-ROUUACIJSA-N 2 0 338.499 3.217 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC(F)F ZINC000414778972 309100538 /nfs/dbraw/zinc/10/05/38/309100538.db2.gz JVGQGQLSELDEMT-GJZGRUSLSA-N 2 0 340.414 3.118 20 0 EGADRP [NH3+]C[C@H]1CN(Cc2ccc(F)c(Cl)c2Cl)CC12CCOCC2 ZINC000414781543 309100615 /nfs/dbraw/zinc/10/06/15/309100615.db2.gz NEIPQUPHMRVMMA-LBPRGKRZSA-N 2 0 347.261 3.320 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c2ccccc12 ZINC000414784668 309100984 /nfs/dbraw/zinc/10/09/84/309100984.db2.gz IRMICAWVDURSQK-CTNGQTDRSA-N 2 0 340.467 3.177 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000414789972 309101505 /nfs/dbraw/zinc/10/15/05/309101505.db2.gz PFHULNQMQCHPAY-MJGOQNOKSA-N 2 0 345.874 3.216 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414796666 309102023 /nfs/dbraw/zinc/10/20/23/309102023.db2.gz HYHOGZXMJCGCQK-XLIONFOSSA-N 2 0 325.456 3.268 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414812293 309103207 /nfs/dbraw/zinc/10/32/07/309103207.db2.gz QZFITVFZLYCDAZ-CQSZACIVSA-N 2 0 339.911 3.184 20 0 EGADRP CSc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414840976 309104958 /nfs/dbraw/zinc/10/49/58/309104958.db2.gz YSNLMXSCBLBBGC-NSHDSACASA-N 2 0 329.307 3.260 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414831064 309104496 /nfs/dbraw/zinc/10/44/96/309104496.db2.gz PIMLRPYTHFPXGK-QWHCGFSZSA-N 2 0 343.393 3.012 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000414841886 309105072 /nfs/dbraw/zinc/10/50/72/309105072.db2.gz ZNHVSZXSTISHOP-ZDUSSCGKSA-N 2 0 326.868 3.227 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414842389 309105074 /nfs/dbraw/zinc/10/50/74/309105074.db2.gz BEZZZQSZCZHBSU-RRFJBIMHSA-N 2 0 337.895 3.343 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000327270414 308771288 /nfs/dbraw/zinc/77/12/88/308771288.db2.gz DDUURINCRJLDRZ-YSTOQKLRSA-N 2 0 343.515 3.106 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000327374822 308771476 /nfs/dbraw/zinc/77/14/76/308771476.db2.gz DHPPIMHMYIBXKR-KRWDZBQOSA-N 2 0 341.455 3.176 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000411357406 308935464 /nfs/dbraw/zinc/93/54/64/308935464.db2.gz ANAFGFMCCPESBL-OAQYLSRUSA-N 2 0 343.515 3.106 20 0 EGADRP CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC000411795254 308953025 /nfs/dbraw/zinc/95/30/25/308953025.db2.gz QECLCAVDNYYCSW-FQEVSTJZSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414849712 309105499 /nfs/dbraw/zinc/10/54/99/309105499.db2.gz YFNWWNBZRAULIH-UKRRQHHQSA-N 2 0 325.294 3.359 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414851955 309105607 /nfs/dbraw/zinc/10/56/07/309105607.db2.gz JRKUYCTWKCYVGA-SJLPKXTDSA-N 2 0 325.456 3.138 20 0 EGADRP Cn1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c(-c2ccccc2Cl)n1 ZINC000414895974 309107891 /nfs/dbraw/zinc/10/78/91/309107891.db2.gz AEWZMKBVJLQAGJ-UHFFFAOYSA-N 2 0 332.879 3.220 20 0 EGADRP c1c(C[NH2+]CC[C@H]2CCC[NH2+]2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414901471 309108326 /nfs/dbraw/zinc/10/83/26/309108326.db2.gz GJXOYCOKGKSBRK-QGZVFWFLSA-N 2 0 339.487 3.292 20 0 EGADRP COc1sc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Br ZINC000414979464 309112587 /nfs/dbraw/zinc/11/25/87/309112587.db2.gz VEHRQZDMANKHSV-SNVBAGLBSA-N 2 0 333.295 3.141 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000414986380 309112873 /nfs/dbraw/zinc/11/28/73/309112873.db2.gz CDJDCYNVHAQIBZ-HUUCEWRRSA-N 2 0 331.485 3.329 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000414986381 309112878 /nfs/dbraw/zinc/11/28/78/309112878.db2.gz CDJDCYNVHAQIBZ-LSDHHAIUSA-N 2 0 331.485 3.329 20 0 EGADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414995941 309113257 /nfs/dbraw/zinc/11/32/57/309113257.db2.gz NZOOYKRBCJIIQB-AAEUAGOBSA-N 2 0 340.393 3.199 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000415001011 309113632 /nfs/dbraw/zinc/11/36/32/309113632.db2.gz ULPHTQOYPZNXSS-OCCSQVGLSA-N 2 0 326.868 3.354 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001600 309113666 /nfs/dbraw/zinc/11/36/66/309113666.db2.gz CORUXLJWCLXOCR-AZUAARDMSA-N 2 0 342.462 3.106 20 0 EGADRP COc1sc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000415026308 309115015 /nfs/dbraw/zinc/11/50/15/309115015.db2.gz SPGGSHZOTVYMPA-XYPYZODXSA-N 2 0 347.322 3.374 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415027882 309115204 /nfs/dbraw/zinc/11/52/04/309115204.db2.gz XJJJWOIEEVRVTA-KKUMJFAQSA-N 2 0 337.895 3.412 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415029132 309115317 /nfs/dbraw/zinc/11/53/17/309115317.db2.gz DIINNWITOUOVAB-TZMCWYRMSA-N 2 0 346.393 3.243 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415031550 309115412 /nfs/dbraw/zinc/11/54/12/309115412.db2.gz HBHGVVGMOGBHGA-JSGCOSHPSA-N 2 0 326.868 3.354 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415031551 309115521 /nfs/dbraw/zinc/11/55/21/309115521.db2.gz HBHGVVGMOGBHGA-OCCSQVGLSA-N 2 0 326.868 3.354 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415033124 309115654 /nfs/dbraw/zinc/11/56/54/309115654.db2.gz IOYHJIJMUMCJHH-RDJZCZTQSA-N 2 0 326.488 3.387 20 0 EGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000415049741 309116576 /nfs/dbraw/zinc/11/65/76/309116576.db2.gz YANQVPBWWAAWPN-VQIMIIECSA-N 2 0 347.466 3.151 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415054852 309116916 /nfs/dbraw/zinc/11/69/16/309116916.db2.gz NVXFFLSTTNFHRL-LJQANCHMSA-N 2 0 326.488 3.496 20 0 EGADRP C[C@H]1C[C@H](C[NH2+]CCCc2nc(-c3ccncc3)cs2)CC[NH2+]1 ZINC000415085119 309119140 /nfs/dbraw/zinc/11/91/40/309119140.db2.gz QHFYNDPVCRUQHX-LSDHHAIUSA-N 2 0 330.501 3.115 20 0 EGADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415085522 309119356 /nfs/dbraw/zinc/11/93/56/309119356.db2.gz QSYFNHTXVLHAJK-REHHDOPLSA-N 2 0 346.515 3.432 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)C1 ZINC000415117220 309121405 /nfs/dbraw/zinc/12/14/05/309121405.db2.gz BYPOJWUVPQBSBN-IRXDYDNUSA-N 2 0 326.843 3.197 20 0 EGADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132786 309122868 /nfs/dbraw/zinc/12/28/68/309122868.db2.gz LZDOJMUGEGIRDD-VQTJNVASSA-N 2 0 329.532 3.394 20 0 EGADRP Clc1cccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1Cl ZINC000415132811 309122930 /nfs/dbraw/zinc/12/29/30/309122930.db2.gz LZVXWKVXOPXASY-HIFRSBDPSA-N 2 0 341.282 3.194 20 0 EGADRP C[C@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415138391 309123195 /nfs/dbraw/zinc/12/31/95/309123195.db2.gz VAXUYRYVPKGYMU-LJQANCHMSA-N 2 0 337.511 3.373 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000415137188 309123213 /nfs/dbraw/zinc/12/32/13/309123213.db2.gz XXRLZBNVTXLUEG-IAGOWNOFSA-N 2 0 342.405 3.424 20 0 EGADRP NC1(C[NH2+]Cc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415136795 309123275 /nfs/dbraw/zinc/12/32/75/309123275.db2.gz SDVRYSQAAGZZEB-UHFFFAOYSA-N 2 0 343.902 3.423 20 0 EGADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000415905917 309147458 /nfs/dbraw/zinc/14/74/58/309147458.db2.gz WCILYUHTQHWLCS-UHFFFAOYSA-N 2 0 344.503 3.136 20 0 EGADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccco1 ZINC000415928802 309149361 /nfs/dbraw/zinc/14/93/61/309149361.db2.gz IFWZVLNLZYBTDZ-YOEHRIQHSA-N 2 0 344.459 3.250 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000415936614 309149938 /nfs/dbraw/zinc/14/99/38/309149938.db2.gz WBRFIOMYKYLBEI-UHFFFAOYSA-N 2 0 332.492 3.182 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970637 309152080 /nfs/dbraw/zinc/15/20/80/309152080.db2.gz FMBWEHIQMFYQPM-SJLPKXTDSA-N 2 0 344.503 3.264 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000415973957 309152141 /nfs/dbraw/zinc/15/21/41/309152141.db2.gz PVUCWMJMYGZLPF-INIZCTEOSA-N 2 0 332.492 3.182 20 0 EGADRP C[C@H](CCNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000415981610 309152662 /nfs/dbraw/zinc/15/26/62/309152662.db2.gz WLATXOVKSUONRG-MRXNPFEDSA-N 2 0 340.471 3.177 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000416133902 309160201 /nfs/dbraw/zinc/16/02/01/309160201.db2.gz ILYNWRSBLSVTLL-ROUUACIJSA-N 2 0 345.512 3.160 20 0 EGADRP CCCC[C@@H](C[NH3+])NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000417691335 309218155 /nfs/dbraw/zinc/21/81/55/309218155.db2.gz MSFHHASPNPUOIQ-APWZRJJASA-N 2 0 346.519 3.029 20 0 EGADRP CCC(CC)(CNC(=O)NCC1([NH3+])CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417714435 309219388 /nfs/dbraw/zinc/21/93/88/309219388.db2.gz ZVFQDJHMCIKYNS-INIZCTEOSA-N 2 0 346.519 3.077 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2C(=O)N(C)C)c1 ZINC000417915313 309228212 /nfs/dbraw/zinc/22/82/12/309228212.db2.gz UJAPVYXUOQGCIB-UHFFFAOYSA-N 2 0 339.483 3.130 20 0 EGADRP COc1cc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000420301772 309280409 /nfs/dbraw/zinc/28/04/09/309280409.db2.gz JCNPPJFSXKOCKE-ZDUSSCGKSA-N 2 0 340.414 3.261 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420308293 309280973 /nfs/dbraw/zinc/28/09/73/309280973.db2.gz NJSBGQJWUUWSHC-QRTARXTBSA-N 2 0 342.439 3.169 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](CCCc2cccc3ccccc32)CC12CCOCC2 ZINC000420331455 309282592 /nfs/dbraw/zinc/28/25/92/309282592.db2.gz QUNOYRQZTUBJJO-HXUWFJFHSA-N 2 0 338.495 3.460 20 0 EGADRP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330557 309282619 /nfs/dbraw/zinc/28/26/19/309282619.db2.gz AUSRNHVGWBZSGS-QZTJIDSGSA-N 2 0 325.456 3.472 20 0 EGADRP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420337779 309283129 /nfs/dbraw/zinc/28/31/29/309283129.db2.gz XAUSOSMDAQGROE-HZPDHXFCSA-N 2 0 344.890 3.347 20 0 EGADRP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340061 309283234 /nfs/dbraw/zinc/28/32/34/309283234.db2.gz MLOKLPFPARTWBL-ROUUACIJSA-N 2 0 330.472 3.109 20 0 EGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000420341159 309283285 /nfs/dbraw/zinc/28/32/85/309283285.db2.gz NWHYUMDMUOVPPW-APWZRJJASA-N 2 0 329.488 3.094 20 0 EGADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420341169 309283319 /nfs/dbraw/zinc/28/33/19/309283319.db2.gz NWWJYIPOAXIVSJ-KDOFPFPSSA-N 2 0 347.528 3.200 20 0 EGADRP FC(F)(F)c1csc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420359851 309284098 /nfs/dbraw/zinc/28/40/98/309284098.db2.gz KYDCVLSUOXAVDH-RYUDHWBXSA-N 2 0 333.423 3.341 20 0 EGADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420384230 309285621 /nfs/dbraw/zinc/28/56/21/309285621.db2.gz GFEQQHLNQDPXPW-WMZOPIPTSA-N 2 0 338.879 3.067 20 0 EGADRP COc1ccc(Cl)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420387309 309285766 /nfs/dbraw/zinc/28/57/66/309285766.db2.gz VTBIJHZCLWBTCI-QZTJIDSGSA-N 2 0 338.879 3.067 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420387563 309285803 /nfs/dbraw/zinc/28/58/03/309285803.db2.gz KJMVZUKGUXFBNZ-WOJBJXKFSA-N 2 0 346.515 3.291 20 0 EGADRP OC1(CCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000421374047 309321488 /nfs/dbraw/zinc/32/14/88/309321488.db2.gz NBDDSURFNPWXHJ-HSALFYBXSA-N 2 0 328.500 3.182 20 0 EGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421685476 309334584 /nfs/dbraw/zinc/33/45/84/309334584.db2.gz RSTRGWMERBFIGC-UHFFFAOYSA-N 2 0 343.471 3.097 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421825800 309341729 /nfs/dbraw/zinc/34/17/29/309341729.db2.gz PICJKDXFJVGBKZ-UNMCSNQZSA-N 2 0 349.522 3.483 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000421832572 309342303 /nfs/dbraw/zinc/34/23/03/309342303.db2.gz GMBLCHAPROGXMV-QXAKKESOSA-N 2 0 338.536 3.082 20 0 EGADRP CC1(C(=O)NCC2([NH3+])CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000422702901 309363829 /nfs/dbraw/zinc/36/38/29/309363829.db2.gz GLCXTWFMDNDNQT-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422706098 309363972 /nfs/dbraw/zinc/36/39/72/309363972.db2.gz DITUIAKNZXQRNK-UONOGXRCSA-N 2 0 329.419 3.293 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000422713247 309364539 /nfs/dbraw/zinc/36/45/39/309364539.db2.gz PNQYPIMGVHWQKQ-BMGDILEWSA-N 2 0 336.907 3.364 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422733679 309365710 /nfs/dbraw/zinc/36/57/10/309365710.db2.gz REXRMHMRSQVYMD-XMSQKQJNSA-N 2 0 337.511 3.199 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422736393 309365789 /nfs/dbraw/zinc/36/57/89/309365789.db2.gz WBTHHOFKOXWCCQ-KBPBESRZSA-N 2 0 345.409 3.271 20 0 EGADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000422735743 309365929 /nfs/dbraw/zinc/36/59/29/309365929.db2.gz VCHSDVATPBFZPH-FGTMMUONSA-N 2 0 332.488 3.494 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422739495 309366071 /nfs/dbraw/zinc/36/60/71/309366071.db2.gz LNJFUQLFFJZLPC-GFCCVEGCSA-N 2 0 332.517 3.496 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422747469 309366367 /nfs/dbraw/zinc/36/63/67/309366367.db2.gz YUVOZLMDLUJGJG-RSRIQPTJSA-N 2 0 327.516 3.332 20 0 EGADRP C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422765920 309367132 /nfs/dbraw/zinc/36/71/32/309367132.db2.gz PVGUMCCIJYNOQZ-NSHGMRRFSA-N 2 0 345.531 3.007 20 0 EGADRP Clc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422766253 309367221 /nfs/dbraw/zinc/36/72/21/309367221.db2.gz LQWYMWFXRRSTQB-KZNAEPCWSA-N 2 0 334.891 3.118 20 0 EGADRP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422807245 309369446 /nfs/dbraw/zinc/36/94/46/309369446.db2.gz JNONZKVYZGAMRG-YLJYHZDGSA-N 2 0 332.488 3.021 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422808866 309369586 /nfs/dbraw/zinc/36/95/86/309369586.db2.gz OYLHKZVZTZHYCK-DGCLKSJQSA-N 2 0 343.418 3.253 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422808865 309369592 /nfs/dbraw/zinc/36/95/92/309369592.db2.gz OYLHKZVZTZHYCK-AAEUAGOBSA-N 2 0 343.418 3.253 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422811985 309369752 /nfs/dbraw/zinc/36/97/52/309369752.db2.gz VPUBMDQSCRGOHP-IERDGZPVSA-N 2 0 348.494 3.349 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422824762 309370354 /nfs/dbraw/zinc/37/03/54/309370354.db2.gz OIAJOMMTHIDRDV-CJNGLKHVSA-N 2 0 330.394 3.243 20 0 EGADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422843894 309371722 /nfs/dbraw/zinc/37/17/22/309371722.db2.gz KAFDZUXELFJXDW-OKZBNKHCSA-N 2 0 332.488 3.494 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845689 309371885 /nfs/dbraw/zinc/37/18/85/309371885.db2.gz OQBIJEDXEQDQCK-ATZDWAIDSA-N 2 0 335.923 3.455 20 0 EGADRP COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422851131 309371907 /nfs/dbraw/zinc/37/19/07/309371907.db2.gz OLJKVUDQMLNPFY-QRVBRYPASA-N 2 0 345.531 3.422 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422852515 309372081 /nfs/dbraw/zinc/37/20/81/309372081.db2.gz XWLYFBRTQFLMEM-APWZRJJASA-N 2 0 341.430 3.295 20 0 EGADRP Fc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000422853484 309372098 /nfs/dbraw/zinc/37/20/98/309372098.db2.gz CAXLUKXOISUVFZ-FVQBIDKESA-N 2 0 346.368 3.091 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)c2ccccc2C)CC[NH2+]CC1 ZINC000422865522 309372752 /nfs/dbraw/zinc/37/27/52/309372752.db2.gz YIRRYMYZANQTGR-KRWDZBQOSA-N 2 0 346.515 3.184 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422877917 309373389 /nfs/dbraw/zinc/37/33/89/309373389.db2.gz IXBJXHMMIZERDD-XLIONFOSSA-N 2 0 346.515 3.254 20 0 EGADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000422878228 309373392 /nfs/dbraw/zinc/37/33/92/309373392.db2.gz JRCWVJIPVYQWHQ-DOMZBBRYSA-N 2 0 325.294 3.444 20 0 EGADRP CCOc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422876961 309373457 /nfs/dbraw/zinc/37/34/57/309373457.db2.gz GZJAVQUDORSAFO-PZJWPPBQSA-N 2 0 338.451 3.431 20 0 EGADRP COc1cc(C)ccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422881561 309373870 /nfs/dbraw/zinc/37/38/70/309373870.db2.gz YYCAQZTZZBIEIV-NQIIRXRSSA-N 2 0 338.451 3.349 20 0 EGADRP CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422883041 309373941 /nfs/dbraw/zinc/37/39/41/309373941.db2.gz UCVLKZVSQCYKSW-VQIMIIECSA-N 2 0 346.519 3.111 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422895017 309374763 /nfs/dbraw/zinc/37/47/63/309374763.db2.gz UXBOZRRPVIRUQE-ORYQWCPZSA-N 2 0 340.467 3.108 20 0 EGADRP c1ccc(CC2CC[NH+](CCCC[NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000422911702 309375855 /nfs/dbraw/zinc/37/58/55/309375855.db2.gz UIKJCPTZCROHTP-UHFFFAOYSA-N 3 0 329.532 3.063 20 0 EGADRP COc1cccc(OCCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422920147 309376200 /nfs/dbraw/zinc/37/62/00/309376200.db2.gz LRGIGIYKGHBXQL-UZLBHIALSA-N 2 0 328.456 3.012 20 0 EGADRP COc1cccc(OCCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422920145 309376318 /nfs/dbraw/zinc/37/63/18/309376318.db2.gz LRGIGIYKGHBXQL-OXJNMPFZSA-N 2 0 328.456 3.012 20 0 EGADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926918 309376382 /nfs/dbraw/zinc/37/63/82/309376382.db2.gz FBSMWCIOESQWEP-XUVXKRRUSA-N 2 0 328.500 3.146 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422926648 309376451 /nfs/dbraw/zinc/37/64/51/309376451.db2.gz XFSRKEIVNNUDPP-GIYDNNGJSA-N 2 0 331.504 3.225 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422930959 309376666 /nfs/dbraw/zinc/37/66/66/309376666.db2.gz AGLJNURBGYOXPD-WFASDCNBSA-N 2 0 329.257 3.238 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422936995 309377024 /nfs/dbraw/zinc/37/70/24/309377024.db2.gz NKVCUWXIKRRFNV-HUUCEWRRSA-N 2 0 329.257 3.380 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000422944239 309377347 /nfs/dbraw/zinc/37/73/47/309377347.db2.gz ZPXFMCMSTHCRAM-SECBINFHSA-N 2 0 349.788 3.009 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957687 309378377 /nfs/dbraw/zinc/37/83/77/309378377.db2.gz UVUSPDHNAWDQKL-CVEARBPZSA-N 2 0 330.501 3.387 20 0 EGADRP COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)O[C@@H](C)C2 ZINC000422968017 309378714 /nfs/dbraw/zinc/37/87/14/309378714.db2.gz QJFSJQGFHBYOPJ-QWHCGFSZSA-N 2 0 341.455 3.032 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(OC2CCCC2)n1 ZINC000422968410 309378719 /nfs/dbraw/zinc/37/87/19/309378719.db2.gz WTNHXNNJCQYBNP-GUDVDZBRSA-N 2 0 329.488 3.413 20 0 EGADRP c1ccc2c(c1)CC(C[NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422983308 309379569 /nfs/dbraw/zinc/37/95/69/309379569.db2.gz SSEZXEWKQYRYPB-UNMCSNQZSA-N 2 0 334.463 3.247 20 0 EGADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422982236 309379577 /nfs/dbraw/zinc/37/95/77/309379577.db2.gz WFVOIGNESWKGRX-VMRPVKRXSA-N 2 0 338.451 3.169 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422996518 309379955 /nfs/dbraw/zinc/37/99/55/309379955.db2.gz MJZPKDCKLMCVRO-GIVPXCGWSA-N 2 0 329.532 3.437 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423003013 309380475 /nfs/dbraw/zinc/38/04/75/309380475.db2.gz KNKORODQQWWIMV-YXYSEUPNSA-N 2 0 329.532 3.407 20 0 EGADRP CC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005144 309380683 /nfs/dbraw/zinc/38/06/83/309380683.db2.gz QWJGWQLKMOGKKQ-NRDMVMEKSA-N 3 0 329.532 3.407 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423026258 309381620 /nfs/dbraw/zinc/38/16/20/309381620.db2.gz PXDLEGKNCNKEHG-XMTFNYHQSA-N 2 0 332.488 3.220 20 0 EGADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423045443 309382890 /nfs/dbraw/zinc/38/28/90/309382890.db2.gz SBBPVDMHEONVAO-VGUOSERISA-N 2 0 344.499 3.426 20 0 EGADRP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423067203 309384044 /nfs/dbraw/zinc/38/40/44/309384044.db2.gz YWJOLSKNSCKEPB-IXDOHACOSA-N 2 0 347.469 3.161 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000423068258 309384227 /nfs/dbraw/zinc/38/42/27/309384227.db2.gz BIKJAJSIVDSRJW-LUQKVYGDSA-N 2 0 341.499 3.129 20 0 EGADRP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H](C)CCCC[NH3+])c2)n1 ZINC000423072588 309384497 /nfs/dbraw/zinc/38/44/97/309384497.db2.gz JROJEQSQJPAKJF-ZDUSSCGKSA-N 2 0 347.484 3.204 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423083387 309385038 /nfs/dbraw/zinc/38/50/38/309385038.db2.gz FZCVSNZKWLUROY-BWAGFHJFSA-N 2 0 337.511 3.057 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000423097899 309386014 /nfs/dbraw/zinc/38/60/14/309386014.db2.gz BQZANNOHJLLAOK-IAQYHMDHSA-N 2 0 326.282 3.402 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000423119171 309386903 /nfs/dbraw/zinc/38/69/03/309386903.db2.gz BMZRYEGNPDQEJP-NSHDSACASA-N 2 0 342.365 3.058 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000423131114 309387466 /nfs/dbraw/zinc/38/74/66/309387466.db2.gz ZEWYTYGOJPQGPK-QFBILLFUSA-N 2 0 330.520 3.391 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423129140 309387483 /nfs/dbraw/zinc/38/74/83/309387483.db2.gz DTQQCBBBIRGZDC-QCEMKRCNSA-N 2 0 330.394 3.065 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423130185 309387521 /nfs/dbraw/zinc/38/75/21/309387521.db2.gz MVHSAARSSGRKTH-QFBILLFUSA-N 2 0 344.499 3.283 20 0 EGADRP COCC1(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423133548 309387564 /nfs/dbraw/zinc/38/75/64/309387564.db2.gz KXAJPAAQMSWXOA-YLJYHZDGSA-N 2 0 330.472 3.039 20 0 EGADRP COc1cc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1Cl ZINC000423134358 309387704 /nfs/dbraw/zinc/38/77/04/309387704.db2.gz MAMIAGUBQBFWPH-KSSFIOAISA-N 2 0 332.875 3.439 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423146497 309388442 /nfs/dbraw/zinc/38/84/42/309388442.db2.gz POQNDMBDSJCNOT-RISCZKNCSA-N 2 0 331.685 3.362 20 0 EGADRP COc1ccc([C@@H](NC2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423185902 309389494 /nfs/dbraw/zinc/38/94/94/309389494.db2.gz NVEAQAXEZSXSPJ-INIZCTEOSA-N 2 0 341.293 3.496 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423188647 309389682 /nfs/dbraw/zinc/38/96/82/309389682.db2.gz LYAGSXOMFZMMHI-WOZUAGRISA-N 3 0 327.516 3.019 20 0 EGADRP C[NH2+]CCC[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423200522 309390337 /nfs/dbraw/zinc/39/03/37/309390337.db2.gz MHSTVNXNRUOYEQ-IINYFYTJSA-N 2 0 329.307 3.431 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250014 309392380 /nfs/dbraw/zinc/39/23/80/309392380.db2.gz PURWBAHXHKYRSO-BONVTDFDSA-N 2 0 327.241 3.165 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423255359 309392554 /nfs/dbraw/zinc/39/25/54/309392554.db2.gz BTLIFNFBXRHDIT-IRXDYDNUSA-N 2 0 342.487 3.039 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423260485 309392845 /nfs/dbraw/zinc/39/28/45/309392845.db2.gz QEMLTAVMQZOTLK-GOEBONIOSA-N 2 0 330.451 3.360 20 0 EGADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](C)C[NH3+])CCC3)cc1 ZINC000423297275 309394494 /nfs/dbraw/zinc/39/44/94/309394494.db2.gz JPOBBWNNWRXPQI-IUODEOHRSA-N 2 0 331.485 3.381 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423348337 309396339 /nfs/dbraw/zinc/39/63/39/309396339.db2.gz TUSQLNUAZTVYKO-BLLLJJGKSA-N 2 0 343.284 3.499 20 0 EGADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423346700 309396458 /nfs/dbraw/zinc/39/64/58/309396458.db2.gz PLSVNGYLTNANKF-JTQLQIEISA-N 2 0 348.340 3.460 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000423375700 309397689 /nfs/dbraw/zinc/39/76/89/309397689.db2.gz DDKCWRZUKBAJTA-LSDHHAIUSA-N 2 0 349.828 3.217 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423378817 309397707 /nfs/dbraw/zinc/39/77/07/309397707.db2.gz WQSXWBLVFGXXPE-SWHYSGLUSA-N 2 0 329.257 3.379 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423386145 309398275 /nfs/dbraw/zinc/39/82/75/309398275.db2.gz RISCHNHGNBWIQX-UXHICEINSA-N 2 0 349.563 3.399 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423390592 309398353 /nfs/dbraw/zinc/39/83/53/309398353.db2.gz OZNUFKANMHLASU-GOSISDBHSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423393967 309398364 /nfs/dbraw/zinc/39/83/64/309398364.db2.gz ZBTPZTMDNAVDSO-SUNKGSAMSA-N 2 0 329.257 3.249 20 0 EGADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000423399902 309398508 /nfs/dbraw/zinc/39/85/08/309398508.db2.gz VGEGRPJXIJWTRR-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000423399907 309398582 /nfs/dbraw/zinc/39/85/82/309398582.db2.gz VGEGRPJXIJWTRR-XLIONFOSSA-N 2 0 343.515 3.067 20 0 EGADRP COCC1(C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC[NH2+]CC1 ZINC000423409518 309399165 /nfs/dbraw/zinc/39/91/65/309399165.db2.gz QFXDXLMDRVQOLZ-WLYUNCDWSA-N 2 0 336.442 3.349 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@H]1c1cccs1 ZINC000423426514 309399885 /nfs/dbraw/zinc/39/98/85/309399885.db2.gz PMAAFPBEDJPDKZ-HYVNUMGLSA-N 2 0 349.544 3.025 20 0 EGADRP COC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423444135 309400601 /nfs/dbraw/zinc/40/06/01/309400601.db2.gz QWKNNRWUSOXOSG-GVDBMIGSSA-N 2 0 342.405 3.371 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423447179 309400757 /nfs/dbraw/zinc/40/07/57/309400757.db2.gz ZNMROBRXVHVYDB-LRDDRELGSA-N 2 0 325.294 3.414 20 0 EGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423451591 309400976 /nfs/dbraw/zinc/40/09/76/309400976.db2.gz YHCGRRHFZXSWLV-IHETXDGRSA-N 2 0 332.488 3.174 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423490028 309402607 /nfs/dbraw/zinc/40/26/07/309402607.db2.gz HGXVBDQMZUDNAS-MPGHIAIKSA-N 2 0 332.492 3.338 20 0 EGADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423538333 309405682 /nfs/dbraw/zinc/40/56/82/309405682.db2.gz GDDJOZILZWHHOM-RMJJICAUSA-N 2 0 326.484 3.367 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423545117 309405899 /nfs/dbraw/zinc/40/58/99/309405899.db2.gz OTVZJXMCEPKTJQ-KLHDSHLOSA-N 2 0 346.471 3.120 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424002870 309424723 /nfs/dbraw/zinc/42/47/23/309424723.db2.gz QUCJUWXGVNPSEH-IBGZPJMESA-N 2 0 331.504 3.062 20 0 EGADRP CC[C@H](CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000424018453 309425627 /nfs/dbraw/zinc/42/56/27/309425627.db2.gz ISKATOUVKHSAPN-LJQANCHMSA-N 2 0 345.531 3.168 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CC1CCCCC1 ZINC000424151141 309431066 /nfs/dbraw/zinc/43/10/66/309431066.db2.gz HAKXMXWLJNDWAZ-RTBURBONSA-N 2 0 335.536 3.151 20 0 EGADRP [NH3+][C@H](CCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)CC1CCCCC1 ZINC000424176267 309431908 /nfs/dbraw/zinc/43/19/08/309431908.db2.gz ORVBRNQOFQFPFT-MRXNPFEDSA-N 2 0 347.478 3.488 20 0 EGADRP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)oc2c1 ZINC000426025652 309497917 /nfs/dbraw/zinc/49/79/17/309497917.db2.gz XMMIGUBDPNJMJT-DLBZAZTESA-N 2 0 329.488 3.275 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427863929 309537279 /nfs/dbraw/zinc/53/72/79/309537279.db2.gz KKVVXNIQVVLGDA-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP c1ccc(COc2cccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)c2)nc1 ZINC000430919478 309620846 /nfs/dbraw/zinc/62/08/46/309620846.db2.gz QPTGDLHHBFOQCE-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432228053 309655212 /nfs/dbraw/zinc/65/52/12/309655212.db2.gz GXDHRCAGPAJQTA-UHFFFAOYSA-N 2 0 348.293 3.250 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447599344 309983893 /nfs/dbraw/zinc/98/38/93/309983893.db2.gz JPBGRZSQNGDBNZ-FXAWDEMLSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000448234798 310000676 /nfs/dbraw/zinc/00/06/76/310000676.db2.gz RHQHYAPRCJZNGE-NSISKUIASA-N 2 0 337.467 3.028 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000448356526 310002662 /nfs/dbraw/zinc/00/26/62/310002662.db2.gz SKVACFYEMZRBSH-HXUWFJFHSA-N 2 0 345.531 3.075 20 0 EGADRP c1cc2c(cc1CN1CC[C@H](C[NH+]3CCCC3)C1)OCCCCO2 ZINC000449029223 310030991 /nfs/dbraw/zinc/03/09/91/310030991.db2.gz NZKXYNXEHYHLKK-GOSISDBHSA-N 2 0 330.472 3.156 20 0 EGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000449105466 310037473 /nfs/dbraw/zinc/03/74/73/310037473.db2.gz ICUSMBHPHHSVAW-AOIWGVFYSA-N 2 0 330.520 3.138 20 0 EGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449121657 310038580 /nfs/dbraw/zinc/03/85/80/310038580.db2.gz INUXOACJDQVPJM-HKUYNNGSSA-N 2 0 336.907 3.270 20 0 EGADRP COc1cccc2c(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cccc12 ZINC000449151071 310040633 /nfs/dbraw/zinc/04/06/33/310040633.db2.gz VNAJBOPWTFBMRD-GOSISDBHSA-N 2 0 342.483 3.175 20 0 EGADRP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc2ccccc21 ZINC000449287375 310050266 /nfs/dbraw/zinc/05/02/66/310050266.db2.gz WOXHYEKERRPCET-KRWDZBQOSA-N 2 0 342.483 3.439 20 0 EGADRP CC[N@@H+]1CC[C@@H](NCC2([NH+](C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472847 310064975 /nfs/dbraw/zinc/06/49/75/310064975.db2.gz GHZQQSKHCIXAFK-UYAOXDASSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H](NCC[N@@H+]1CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780527 310086698 /nfs/dbraw/zinc/08/66/98/310086698.db2.gz GFSKAAQRFXXVGL-QUCCMNQESA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H](NCC[N@@H+]1CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780528 310086820 /nfs/dbraw/zinc/08/68/20/310086820.db2.gz GFSKAAQRFXXVGL-UYAOXDASSA-N 2 0 329.532 3.361 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CC(C)(F)C2)CC1 ZINC000451178973 310164371 /nfs/dbraw/zinc/16/43/71/310164371.db2.gz BNGOAGQKIKAQAO-UHFFFAOYSA-N 2 0 325.859 3.072 20 0 EGADRP C[NH+](C)CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453052852 310254490 /nfs/dbraw/zinc/25/44/90/310254490.db2.gz DQJFHLFHHVFYJZ-MRXNPFEDSA-N 2 0 325.294 3.312 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453070937 310256033 /nfs/dbraw/zinc/25/60/33/310256033.db2.gz PYKUEEGRMGKFCO-XSDIEEQYSA-N 2 0 328.500 3.446 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000453097368 310257771 /nfs/dbraw/zinc/25/77/71/310257771.db2.gz XYJZNJHBAYRTRF-QGZVFWFLSA-N 2 0 344.528 3.314 20 0 EGADRP C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)N1CC[NH+](C)CC1 ZINC000453105620 310258263 /nfs/dbraw/zinc/25/82/63/310258263.db2.gz XKGZRURXNHKQJZ-DNVCBOLYSA-N 2 0 335.923 3.407 20 0 EGADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453117434 310259075 /nfs/dbraw/zinc/25/90/75/310259075.db2.gz KQPHDBMCFTZQBC-XRXFAXGQSA-N 2 0 330.516 3.426 20 0 EGADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccncc1 ZINC000453133967 310260098 /nfs/dbraw/zinc/26/00/98/310260098.db2.gz NVZZDEYCYQWZLG-NRFANRHFSA-N 2 0 339.483 3.279 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3cnccn3)[C@H]3CCC[C@H]32)cc1 ZINC000453172468 310262324 /nfs/dbraw/zinc/26/23/24/310262324.db2.gz XWHWPTKGOHERNT-QHAWAJNXSA-N 2 0 336.483 3.052 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453183618 310262971 /nfs/dbraw/zinc/26/29/71/310262971.db2.gz UTMXGPKBNVQXHE-YPAWHYETSA-N 3 0 339.527 3.281 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453225463 310265078 /nfs/dbraw/zinc/26/50/78/310265078.db2.gz MTJSQXRSLBXUOZ-HBMCJLEFSA-N 2 0 326.484 3.366 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453342983 310272010 /nfs/dbraw/zinc/27/20/10/310272010.db2.gz IINKCCMWOXPISN-OHRKKDJYSA-N 2 0 327.472 3.192 20 0 EGADRP C[C@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@]2(CCOC2)C1 ZINC000453381836 310273927 /nfs/dbraw/zinc/27/39/27/310273927.db2.gz RIFXWROOWRIJJV-NRSPTQNISA-N 2 0 328.500 3.400 20 0 EGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455912346 310382073 /nfs/dbraw/zinc/38/20/73/310382073.db2.gz JEWIJWGOOBZKMB-OALUTQOASA-N 2 0 344.503 3.039 20 0 EGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455946119 310383092 /nfs/dbraw/zinc/38/30/92/310383092.db2.gz WRMJNGRRBDNSLA-KXBFYZLASA-N 2 0 344.503 3.231 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H]1SC ZINC000459370961 310547670 /nfs/dbraw/zinc/54/76/70/310547670.db2.gz HVCFZHAZJFLELV-SFFUCWETSA-N 2 0 328.566 3.243 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459379614 310548556 /nfs/dbraw/zinc/54/85/56/310548556.db2.gz SNIYFKWFTXVSMQ-RTBURBONSA-N 3 0 344.547 3.398 20 0 EGADRP Fc1ccccc1CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000470311746 310721058 /nfs/dbraw/zinc/72/10/58/310721058.db2.gz ANQBMPWPJNVDSW-UHFFFAOYSA-N 2 0 334.479 3.193 20 0 EGADRP C[C@H](CCc1ccccc1)C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000472136094 310759831 /nfs/dbraw/zinc/75/98/31/310759831.db2.gz HQCWOAPFMQIXEF-LJQANCHMSA-N 2 0 331.548 3.261 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474035944 310783856 /nfs/dbraw/zinc/78/38/56/310783856.db2.gz OMKRMZFVQKLBAT-UZLBHIALSA-N 2 0 345.531 3.033 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@H]1C ZINC000474799641 310799561 /nfs/dbraw/zinc/79/95/61/310799561.db2.gz IRXLWCOHOXMTEL-YTQUADARSA-N 2 0 338.536 3.312 20 0 EGADRP CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000483861915 310959027 /nfs/dbraw/zinc/95/90/27/310959027.db2.gz PUADSUFAYMMFCJ-XFQXTVEOSA-N 2 0 334.504 3.481 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000488449108 311066206 /nfs/dbraw/zinc/06/62/06/311066206.db2.gz MUHFFIGHABVZRT-XSLAGTTESA-N 2 0 328.566 3.243 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000490963939 311158992 /nfs/dbraw/zinc/15/89/92/311158992.db2.gz ISOKOXOESJTDLV-GHTZIAJQSA-N 2 0 329.532 3.097 20 0 EGADRP c1ccc2c(c1)CC[C@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000491999282 311207170 /nfs/dbraw/zinc/20/71/70/311207170.db2.gz LLSPXXNXLFTIEM-IBGZPJMESA-N 2 0 337.467 3.281 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000495818259 311616327 /nfs/dbraw/zinc/61/63/27/311616327.db2.gz QJKBNABHOXSHFE-JCCCHCCOSA-N 2 0 339.524 3.285 20 0 EGADRP CCC(CC)NC(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506471590 312049603 /nfs/dbraw/zinc/04/96/03/312049603.db2.gz DNLBNVWEGLOVRO-OKZBNKHCSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510546657 312142945 /nfs/dbraw/zinc/14/29/45/312142945.db2.gz JDNDCZJTBDZYOB-NEWSRXKRSA-N 2 0 333.520 3.269 20 0 EGADRP COC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512294617 312182325 /nfs/dbraw/zinc/18/23/25/312182325.db2.gz JPVOTLHVLXSXKQ-HSALFYBXSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000512610538 312189952 /nfs/dbraw/zinc/18/99/52/312189952.db2.gz BYQNKVYYFAFFQG-XRXFAXGQSA-N 2 0 328.500 3.303 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000512610503 312189958 /nfs/dbraw/zinc/18/99/58/312189958.db2.gz BTISEBFAJWHLPZ-XRXFAXGQSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000513079861 312201147 /nfs/dbraw/zinc/20/11/47/312201147.db2.gz BXPLODXRUNOLCO-XHSDSOJGSA-N 2 0 349.485 3.359 20 0 EGADRP CCn1nccc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513513240 312211939 /nfs/dbraw/zinc/21/19/39/312211939.db2.gz SBVYNFZZVMHZLY-MJGOQNOKSA-N 2 0 326.488 3.293 20 0 EGADRP CC[NH+](CC)CCCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000514235566 312228722 /nfs/dbraw/zinc/22/87/22/312228722.db2.gz FIXWORUYCCDLPY-RTBURBONSA-N 2 0 331.548 3.465 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000514735662 312242723 /nfs/dbraw/zinc/24/27/23/312242723.db2.gz DBEBNIHNNXQIBG-IBGZPJMESA-N 2 0 337.467 3.209 20 0 EGADRP C[N@H+](CCOc1cccc(C[NH2+]CC2(C)CC2)c1)C1CCOCC1 ZINC000515543371 312288439 /nfs/dbraw/zinc/28/84/39/312288439.db2.gz OQTYWXJVEXCQFO-UHFFFAOYSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000516016532 312305767 /nfs/dbraw/zinc/30/57/67/312305767.db2.gz GYSMQIUETVSPNO-YJBOKZPZSA-N 2 0 338.455 3.127 20 0 EGADRP Cc1ccc(NC(=O)CC[NH2+]CC2CC[NH+](CCC(C)C)CC2)nc1 ZINC000516048947 312306582 /nfs/dbraw/zinc/30/65/82/312306582.db2.gz SHTFRIZPSKZKKF-UHFFFAOYSA-N 2 0 346.519 3.066 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000516650550 312335447 /nfs/dbraw/zinc/33/54/47/312335447.db2.gz AKMRXHJELRBYNZ-GOEBONIOSA-N 2 0 349.906 3.297 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000517444933 312379617 /nfs/dbraw/zinc/37/96/17/312379617.db2.gz DRNILKWSHMLLOE-ICSRJNTNSA-N 2 0 345.531 3.230 20 0 EGADRP CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000518323718 312411811 /nfs/dbraw/zinc/41/18/11/312411811.db2.gz QZRNJRBCDSFVST-LJQANCHMSA-N 2 0 344.503 3.089 20 0 EGADRP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000528370532 313076044 /nfs/dbraw/zinc/07/60/44/313076044.db2.gz FFDQNAHRRZBXLQ-HXUWFJFHSA-N 2 0 336.495 3.435 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc3cc(C)ccc3s2)CC1 ZINC000528514874 313109767 /nfs/dbraw/zinc/10/97/67/313109767.db2.gz BXYBAKYXLWBUEL-UHFFFAOYSA-N 2 0 346.544 3.110 20 0 EGADRP C[NH2+]CCC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000070189665 454167973 /nfs/dbraw/zinc/16/79/73/454167973.db2.gz UHSSRPNCEXVYRP-UHFFFAOYSA-N 2 0 341.293 3.149 20 0 EGADRP C[N@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000536308740 314106144 /nfs/dbraw/zinc/10/61/44/314106144.db2.gz OWNLHFMVDUNMCN-XUVXKRRUSA-N 2 0 328.500 3.446 20 0 EGADRP CCc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C(C)C)cc1 ZINC000536998291 314155737 /nfs/dbraw/zinc/15/57/37/314155737.db2.gz NEFXSCYIEFOLCT-PMACEKPBSA-N 2 0 345.531 3.123 20 0 EGADRP CC[N@H+](CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)CC(C)C ZINC000538034892 314225035 /nfs/dbraw/zinc/22/50/35/314225035.db2.gz LRTXTKIYSMSEAO-IBGZPJMESA-N 2 0 339.568 3.179 20 0 EGADRP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(C)c1F ZINC000540160830 314366795 /nfs/dbraw/zinc/36/67/95/314366795.db2.gz MJIBZNYCAMQSHA-IPELMVKDSA-N 2 0 334.479 3.471 20 0 EGADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000548389418 315002556 /nfs/dbraw/zinc/00/25/56/315002556.db2.gz JAIIRHFZSXBJDI-GOSISDBHSA-N 2 0 345.531 3.278 20 0 EGADRP CC(C)[C@H]1C[NH+](CCCC[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550187659 315119890 /nfs/dbraw/zinc/11/98/90/315119890.db2.gz GXEIKFSJOGYNKA-WOJBJXKFSA-N 2 0 340.552 3.260 20 0 EGADRP Cc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000551090832 315141724 /nfs/dbraw/zinc/14/17/24/315141724.db2.gz WNAMSGUELMVWOH-NRFANRHFSA-N 2 0 329.532 3.376 20 0 EGADRP c1ccc2c(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccnc2c1 ZINC000552010031 315187960 /nfs/dbraw/zinc/18/79/60/315187960.db2.gz RRCRUFFGVHJHHK-UHFFFAOYSA-N 2 0 339.483 3.169 20 0 EGADRP C[C@H]([NH2+]C[C@]1(O)CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552357504 315215995 /nfs/dbraw/zinc/21/59/95/315215995.db2.gz CMYIQECCVVZFDQ-HFSMHLIXSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000552366567 315216512 /nfs/dbraw/zinc/21/65/12/315216512.db2.gz NLLZDCOTSXHLQL-GOSISDBHSA-N 2 0 345.531 3.267 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554083513 315297134 /nfs/dbraw/zinc/29/71/34/315297134.db2.gz UQNHIDISNGIHMO-NHCUHLMSSA-N 2 0 328.500 3.482 20 0 EGADRP C[NH+](C)CCCCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000554472470 315320910 /nfs/dbraw/zinc/32/09/10/315320910.db2.gz RNIXLGRKTPICSP-UHFFFAOYSA-N 2 0 345.531 3.411 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000562592403 315856510 /nfs/dbraw/zinc/85/65/10/315856510.db2.gz DWXPEWOZKNIAKA-SFTDATJTSA-N 2 0 329.532 3.488 20 0 EGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000562955971 315929817 /nfs/dbraw/zinc/92/98/17/315929817.db2.gz QWRWQXHBIQEBKC-CYBMUJFWSA-N 2 0 341.883 3.043 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000563056398 315951097 /nfs/dbraw/zinc/95/10/97/315951097.db2.gz FUKRTEKVKDCWOC-LPHOPBHVSA-N 2 0 347.503 3.253 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459656 316155503 /nfs/dbraw/zinc/15/55/03/316155503.db2.gz LVBSBGUUTNKGSX-BJLQDIEVSA-N 2 0 345.531 3.285 20 0 EGADRP C[NH+]1CCN(C[C@H]([NH2+]C2CCC3(CC3)CC2)c2ccccc2)CC1 ZINC000564512556 316160381 /nfs/dbraw/zinc/16/03/81/316160381.db2.gz SWZOQOJYNNKWFJ-FQEVSTJZSA-N 2 0 327.516 3.288 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000564844751 316216727 /nfs/dbraw/zinc/21/67/27/316216727.db2.gz OATPJJANVUCONS-FQEVSTJZSA-N 2 0 348.531 3.145 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973369 316240048 /nfs/dbraw/zinc/24/00/48/316240048.db2.gz CEZXAVMAKFNSGY-GOSISDBHSA-N 2 0 328.456 3.273 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n1C ZINC000565242262 316297905 /nfs/dbraw/zinc/29/79/05/316297905.db2.gz MCUBICXHBVWAHA-UHFFFAOYSA-N 2 0 338.455 3.243 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000565933208 316389836 /nfs/dbraw/zinc/38/98/36/316389836.db2.gz JLYXGXAXQPZBDZ-DZFIZOCASA-N 2 0 332.488 3.207 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000566355607 316461246 /nfs/dbraw/zinc/46/12/46/316461246.db2.gz DWJBWAMUODVUTI-GFCCVEGCSA-N 2 0 343.393 3.093 20 0 EGADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000566848207 316534838 /nfs/dbraw/zinc/53/48/38/316534838.db2.gz NXZQUDJQOFZEJV-HXUWFJFHSA-N 2 0 341.499 3.441 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000567029112 316558599 /nfs/dbraw/zinc/55/85/99/316558599.db2.gz BTJVXNMIFGZNBX-IRXDYDNUSA-N 2 0 335.517 3.129 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000567894659 316689752 /nfs/dbraw/zinc/68/97/52/316689752.db2.gz MTQZXDNRDAXOPZ-HNNXBMFYSA-N 2 0 344.455 3.030 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000568247080 316749228 /nfs/dbraw/zinc/74/92/28/316749228.db2.gz BBTCMOZSDXJNJJ-ROUUACIJSA-N 3 0 335.923 3.412 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000569590638 316936190 /nfs/dbraw/zinc/93/61/90/316936190.db2.gz NSQKJCPIOLCFPZ-CKEIUWERSA-N 2 0 339.886 3.476 20 0 EGADRP CC(C)c1nc(N2C[C@@H](N3CCOCC3)C[C@H]2C)cc(C(C)(C)C)n1 ZINC000570232923 317025749 /nfs/dbraw/zinc/02/57/49/317025749.db2.gz GWTAYYDFFXIQBJ-CVEARBPZSA-N 2 0 346.519 3.197 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000570606623 317080424 /nfs/dbraw/zinc/08/04/24/317080424.db2.gz XQLBFMATAFUQJB-QZTJIDSGSA-N 2 0 331.504 3.340 20 0 EGADRP C(CC[N@@H+]1CCSC[C@H]1C1CC1)C[NH+]1CCSC[C@H]1C1CC1 ZINC000571137006 317154568 /nfs/dbraw/zinc/15/45/68/317154568.db2.gz KXJSAKRNVMMNDH-ROUUACIJSA-N 2 0 340.602 3.421 20 0 EGADRP C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2c(s1)CCCC2 ZINC000571431999 317198831 /nfs/dbraw/zinc/19/88/31/317198831.db2.gz AFGVABXRTBFYMC-GFCCVEGCSA-N 2 0 345.516 3.063 20 0 EGADRP C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000572713921 317379792 /nfs/dbraw/zinc/37/97/92/317379792.db2.gz MNMSTTAELRETTP-AWEZNQCLSA-N 2 0 341.503 3.420 20 0 EGADRP Clc1ccc(O[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1Cl ZINC000178976599 454994906 /nfs/dbraw/zinc/99/49/06/454994906.db2.gz IEOMMIKKJSOUBO-AWEZNQCLSA-N 2 0 329.271 3.446 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](CC3Cc4ccccc4C3)CC2)C[C@H](C)O1 ZINC000573769370 317526028 /nfs/dbraw/zinc/52/60/28/317526028.db2.gz QPISAOCNHBBAQO-ROUUACIJSA-N 2 0 342.527 3.223 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1(C[NH3+])CCCC1 ZINC000574575052 317613121 /nfs/dbraw/zinc/61/31/21/317613121.db2.gz YYFMTTNPYDRDGN-UHFFFAOYSA-N 2 0 347.528 3.001 20 0 EGADRP OC[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000574630338 317619098 /nfs/dbraw/zinc/61/90/98/317619098.db2.gz STNDYIYNLPPULR-HFSMHLIXSA-N 2 0 344.499 3.021 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000574688190 317625714 /nfs/dbraw/zinc/62/57/14/317625714.db2.gz HJIKOWDODHZCAB-QZTJIDSGSA-N 2 0 345.874 3.149 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000180789417 323455966 /nfs/dbraw/zinc/45/59/66/323455966.db2.gz YMALWLAVELMJFI-UHFFFAOYSA-N 2 0 348.535 3.051 20 0 EGADRP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000382495820 324252017 /nfs/dbraw/zinc/25/20/17/324252017.db2.gz LUSBTPYUCDSJFU-BETUJISGSA-N 2 0 327.241 3.020 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004354 324293094 /nfs/dbraw/zinc/29/30/94/324293094.db2.gz KSUKHUOURLFNGU-HMXCVIKNSA-N 3 0 329.532 3.219 20 0 EGADRP C[N@H+](CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1)Cc1ccccc1 ZINC000396321832 324293933 /nfs/dbraw/zinc/29/39/33/324293933.db2.gz MCZUERILANMIOQ-UHFFFAOYSA-N 2 0 344.421 3.334 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387776 /nfs/dbraw/zinc/38/77/76/324387776.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 2 0 341.543 3.361 20 0 EGADRP Fc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC000311885457 456591296 /nfs/dbraw/zinc/59/12/96/456591296.db2.gz NRZNGBIUPWFHLJ-BETUJISGSA-N 2 0 327.241 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000578997645 325047691 /nfs/dbraw/zinc/04/76/91/325047691.db2.gz JATUUIILXAMBOJ-HNNXBMFYSA-N 2 0 337.895 3.236 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(-c2ccccc2)cs1 ZINC000579095822 325061261 /nfs/dbraw/zinc/06/12/61/325061261.db2.gz LJLFSEAQTKWBGZ-UHFFFAOYSA-N 2 0 331.529 3.340 20 0 EGADRP C[C@H](CC[NH2+]C[C@H](O)CN(C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222256 325079353 /nfs/dbraw/zinc/07/93/53/325079353.db2.gz GFAXRHGIRZABNX-DYVFJYSZSA-N 2 0 344.421 3.244 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000580202165 325217896 /nfs/dbraw/zinc/21/78/96/325217896.db2.gz VNROJQAJDKXEEW-NSHDSACASA-N 2 0 344.286 3.381 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000580772419 325294761 /nfs/dbraw/zinc/29/47/61/325294761.db2.gz YZDXMRNCOSLYNS-XYJFISCASA-N 2 0 331.504 3.010 20 0 EGADRP CC[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 ZINC000581708346 325384236 /nfs/dbraw/zinc/38/42/36/325384236.db2.gz CDNPXPXRFFJAQJ-NHCUHLMSSA-N 2 0 338.499 3.111 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)C)c(Cl)c1 ZINC000581878587 325395663 /nfs/dbraw/zinc/39/56/63/325395663.db2.gz QZJWYSVNJXPOGO-CQSZACIVSA-N 2 0 325.884 3.343 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000581894678 325397273 /nfs/dbraw/zinc/39/72/73/325397273.db2.gz BNLNFFSXNMQMGI-IXDOHACOSA-N 2 0 341.421 3.139 20 0 EGADRP c1cc(N2CCC(C[NH2+]C3CCC4(CCCO4)CC3)CC2)cc[nH+]1 ZINC000582037364 325407932 /nfs/dbraw/zinc/40/79/32/325407932.db2.gz LACXOYPFJYYWFD-UHFFFAOYSA-N 2 0 329.488 3.379 20 0 EGADRP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582305485 325431153 /nfs/dbraw/zinc/43/11/53/325431153.db2.gz BHDAWGPFDBCPAI-UHOSZYNNSA-N 2 0 346.515 3.361 20 0 EGADRP [NH3+]CCC[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000583683225 325543285 /nfs/dbraw/zinc/54/32/85/325543285.db2.gz YPNKJYQYZMRJFO-OALUTQOASA-N 2 0 325.456 3.063 20 0 EGADRP C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157797578 455232704 /nfs/dbraw/zinc/23/27/04/455232704.db2.gz NDSRSEUAHLMYCC-QSFXBCCZSA-N 2 0 332.488 3.235 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCn2ccnc2)CC1 ZINC000183171996 455243883 /nfs/dbraw/zinc/24/38/83/455243883.db2.gz XEQHJBMLJNEWBZ-UHFFFAOYSA-N 2 0 326.488 3.117 20 0 EGADRP COCc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000180795291 455246900 /nfs/dbraw/zinc/24/69/00/455246900.db2.gz FFMYTMCDXCXHJK-UHFFFAOYSA-N 2 0 346.515 3.157 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000157912875 455247714 /nfs/dbraw/zinc/24/77/14/455247714.db2.gz MSBRHDLVXFTVLV-OAHLLOKOSA-N 2 0 335.458 3.115 20 0 EGADRP OC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCCCC1 ZINC000238141907 455256771 /nfs/dbraw/zinc/25/67/71/455256771.db2.gz HKHCEQUHIRTBSA-UHFFFAOYSA-N 2 0 346.515 3.336 20 0 EGADRP C[N@@H+](Cc1cccc(F)c1Br)CC1CC[NH+](C)CC1 ZINC000158062359 455265228 /nfs/dbraw/zinc/26/52/28/455265228.db2.gz ZDNVLZNTIFTEEN-UHFFFAOYSA-N 2 0 329.257 3.362 20 0 EGADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)c2)nc1 ZINC000631890079 460589634 /nfs/dbraw/zinc/58/96/34/460589634.db2.gz LZGPKANBJQLHIP-WIYYLYMNSA-N 2 0 337.467 3.235 20 0 EGADRP COc1cc2c(cc1C[NH2+]Cc1cccc(C[NH+](C)C)c1)O[C@H](C)C2 ZINC000027219539 453812931 /nfs/dbraw/zinc/81/29/31/453812931.db2.gz BZQSXINFQOMRRO-OAHLLOKOSA-N 2 0 340.467 3.370 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000066960815 453889978 /nfs/dbraw/zinc/88/99/78/453889978.db2.gz YXLYSRIEDKHGHF-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000081732206 453905823 /nfs/dbraw/zinc/90/58/23/453905823.db2.gz YDQPETCYMDBBSI-CQSZACIVSA-N 2 0 345.487 3.201 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC[NH+](CC)CC ZINC000067381133 453926671 /nfs/dbraw/zinc/92/66/71/453926671.db2.gz LVGNUFLDUNNGIL-UHFFFAOYSA-N 2 0 348.535 3.012 20 0 EGADRP c1ccc(CCOCCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075836558 453929261 /nfs/dbraw/zinc/92/92/61/453929261.db2.gz ZHLPGGWQOLAVTK-NRFANRHFSA-N 2 0 330.516 3.444 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[NH+](C)C2CCC2)C1 ZINC000075841562 453930440 /nfs/dbraw/zinc/93/04/40/453930440.db2.gz MSWFAHCHCPGRHV-KRWDZBQOSA-N 2 0 343.515 3.019 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2)CC1 ZINC000075841795 453930831 /nfs/dbraw/zinc/93/08/31/453930831.db2.gz RNECUGQCEVXWPW-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000076331100 453989471 /nfs/dbraw/zinc/98/94/71/453989471.db2.gz LIIVTPNZUQCYOW-UHFFFAOYSA-N 2 0 343.515 3.325 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1C ZINC000076329313 453989494 /nfs/dbraw/zinc/98/94/94/453989494.db2.gz AJFUDKYOGDQUAZ-GOSISDBHSA-N 2 0 346.519 3.183 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056524177 454064472 /nfs/dbraw/zinc/06/44/72/454064472.db2.gz QWOPFTFAVDGTMG-UHFFFAOYSA-N 2 0 331.504 3.092 20 0 EGADRP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524640 454064876 /nfs/dbraw/zinc/06/48/76/454064876.db2.gz WUWBNLQKGMSMCK-SFHVURJKSA-N 2 0 345.531 3.087 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246057930 455419355 /nfs/dbraw/zinc/41/93/55/455419355.db2.gz YWYSMRVECLKFGF-HDAAZOAOSA-N 2 0 340.515 3.408 20 0 EGADRP COc1cc(F)cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000093970453 454182369 /nfs/dbraw/zinc/18/23/69/454182369.db2.gz GLNINBHCKGGXMF-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC000071124213 454200173 /nfs/dbraw/zinc/20/01/73/454200173.db2.gz JJVYXOIOCSPRRG-SFHVURJKSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000046008051 454205484 /nfs/dbraw/zinc/20/54/84/454205484.db2.gz XDWYFGPERWRORJ-CVEARBPZSA-N 2 0 332.492 3.133 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131279794 454244468 /nfs/dbraw/zinc/24/44/68/454244468.db2.gz AQKFJTUFFIBHMR-XYPYXGAPSA-N 2 0 331.287 3.345 20 0 EGADRP COc1ccc2cc([C@H](C)[NH2+]CCCN3CC[NH+](C)CC3)ccc2c1 ZINC000120412877 454298419 /nfs/dbraw/zinc/29/84/19/454298419.db2.gz SMWHDBXDKFDLCI-KRWDZBQOSA-N 2 0 341.499 3.137 20 0 EGADRP Cc1cnccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000120419594 454299610 /nfs/dbraw/zinc/29/96/10/454299610.db2.gz BXRFQDRLDSCBPA-OAHLLOKOSA-N 2 0 339.443 3.132 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000120511092 454312857 /nfs/dbraw/zinc/31/28/57/454312857.db2.gz IPPHRCPTLLYIDI-KURKYZTESA-N 2 0 343.515 3.029 20 0 EGADRP Cc1cnccc1CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090847030 454344694 /nfs/dbraw/zinc/34/46/94/454344694.db2.gz VUTKNGBULNIBCR-QGZVFWFLSA-N 2 0 327.472 3.224 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3ccccc32)ccn1 ZINC000090937178 454352696 /nfs/dbraw/zinc/35/26/96/454352696.db2.gz XRLWEHLPXONPSI-IBGZPJMESA-N 2 0 325.456 3.189 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2c(c1)CCO2 ZINC000132875750 454373526 /nfs/dbraw/zinc/37/35/26/454373526.db2.gz XDLKWZPSHOSDDE-JXFKEZNVSA-N 2 0 344.499 3.163 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120995117 454375451 /nfs/dbraw/zinc/37/54/51/454375451.db2.gz VDNFSTKNBIPTGN-ZWKOTPCHSA-N 2 0 333.520 3.008 20 0 EGADRP C[C@@H](NCC[N@H+](C)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133199127 454400966 /nfs/dbraw/zinc/40/09/66/454400966.db2.gz HTTFGCXRYFWVKY-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000091286941 454422873 /nfs/dbraw/zinc/42/28/73/454422873.db2.gz BTLOFAICBRTZNG-NRFANRHFSA-N 2 0 338.499 3.320 20 0 EGADRP COc1ccc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C(C)C)cc1 ZINC000091333593 454427072 /nfs/dbraw/zinc/42/70/72/454427072.db2.gz QRYUNMPVKAIKEF-HXUWFJFHSA-N 2 0 333.520 3.010 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000047978739 454428556 /nfs/dbraw/zinc/42/85/56/454428556.db2.gz LKZVMNSBLIHPRI-UHFFFAOYSA-N 2 0 335.467 3.208 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000121407767 454432204 /nfs/dbraw/zinc/43/22/04/454432204.db2.gz GKYOQVFEWBYTCQ-UGKGYDQZSA-N 2 0 343.559 3.179 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121444945 454436269 /nfs/dbraw/zinc/43/62/69/454436269.db2.gz WOLANWJGZATAQM-SJORKVTESA-N 2 0 344.503 3.119 20 0 EGADRP Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000121476638 454440353 /nfs/dbraw/zinc/44/03/53/454440353.db2.gz BTSSHOGHEPDCJV-UHFFFAOYSA-N 2 0 343.446 3.231 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000101516595 454470944 /nfs/dbraw/zinc/47/09/44/454470944.db2.gz LNKACQMDEVNEAC-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)CC1 ZINC000079905147 454496680 /nfs/dbraw/zinc/49/66/80/454496680.db2.gz CGLUPTSUVYFBEU-FQEVSTJZSA-N 2 0 343.515 3.204 20 0 EGADRP Fc1ccc2oc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2c1 ZINC000134066065 454499340 /nfs/dbraw/zinc/49/93/40/454499340.db2.gz OZJBMFBOROONNO-UHFFFAOYSA-N 2 0 332.419 3.116 20 0 EGADRP Cc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000074055390 454527034 /nfs/dbraw/zinc/52/70/34/454527034.db2.gz NGWBQRYUKHGQGC-HXUWFJFHSA-N 2 0 326.488 3.227 20 0 EGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3CCCCC3)c2)C1 ZINC000122484141 454538391 /nfs/dbraw/zinc/53/83/91/454538391.db2.gz ARTIQGJNLTZELG-HXUWFJFHSA-N 2 0 343.515 3.054 20 0 EGADRP CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000134563786 454560655 /nfs/dbraw/zinc/56/06/55/454560655.db2.gz ZEPSCSHKVKAXNJ-NRFANRHFSA-N 2 0 343.515 3.067 20 0 EGADRP COc1cc[nH+]c(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000092416067 454563465 /nfs/dbraw/zinc/56/34/65/454563465.db2.gz BHELZWXZCFPLGL-UHFFFAOYSA-N 2 0 346.862 3.108 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000123137458 454606860 /nfs/dbraw/zinc/60/68/60/454606860.db2.gz QXQHREXKSAXUTI-UHFFFAOYSA-N 2 0 326.488 3.426 20 0 EGADRP COc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939648 454614182 /nfs/dbraw/zinc/61/41/82/454614182.db2.gz BIGIPANUCLNFQE-OXQOHEQNSA-N 2 0 330.472 3.023 20 0 EGADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000092738292 454620572 /nfs/dbraw/zinc/62/05/72/454620572.db2.gz ORLNDTGTTZRYDU-KRWDZBQOSA-N 2 0 345.531 3.136 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000105476318 454641062 /nfs/dbraw/zinc/64/10/62/454641062.db2.gz UPQWZECYTWJYAX-UHFFFAOYSA-N 2 0 345.531 3.125 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c(Cl)c1 ZINC000635004751 460648501 /nfs/dbraw/zinc/64/85/01/460648501.db2.gz DWNHTOVPNNPAQG-KKUMJFAQSA-N 2 0 337.895 3.473 20 0 EGADRP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000161695208 454715475 /nfs/dbraw/zinc/71/54/75/454715475.db2.gz BFPZLTBXPAMZEM-DLBZAZTESA-N 2 0 345.512 3.208 20 0 EGADRP COCCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000161769572 454721296 /nfs/dbraw/zinc/72/12/96/454721296.db2.gz VRMATYMKSOELKV-GOSISDBHSA-N 2 0 334.504 3.484 20 0 EGADRP CC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000136156860 454723985 /nfs/dbraw/zinc/72/39/85/454723985.db2.gz RQBDKDDCJZILIO-UHFFFAOYSA-N 2 0 329.488 3.343 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2CSC)CC1 ZINC000093761360 454732966 /nfs/dbraw/zinc/73/29/66/454732966.db2.gz FIDYTFOHZVGBED-GOSISDBHSA-N 2 0 333.545 3.156 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2ccccc21 ZINC000124488557 454739368 /nfs/dbraw/zinc/73/93/68/454739368.db2.gz XXPVMCGWWGOBJW-LAUBAEHRSA-N 2 0 329.532 3.488 20 0 EGADRP Fc1ccc2c(c1)[C@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CCS2 ZINC000635008493 460651421 /nfs/dbraw/zinc/65/14/21/460651421.db2.gz KFQMMUHVRYVOAK-MRXNPFEDSA-N 2 0 344.459 3.279 20 0 EGADRP Fc1ccc(C[N@@H+]2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000124803125 454771496 /nfs/dbraw/zinc/77/14/96/454771496.db2.gz ZCKNNEQHKMGKIT-UHFFFAOYSA-N 2 0 333.495 3.209 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000162647186 454789986 /nfs/dbraw/zinc/78/99/86/454789986.db2.gz DVHNCKXPKDNTRC-WWMYMODYSA-N 2 0 346.515 3.201 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153416489 454792255 /nfs/dbraw/zinc/79/22/55/454792255.db2.gz HRVJLMRXLGDZHG-OKZBNKHCSA-N 2 0 335.561 3.451 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182249668 455471987 /nfs/dbraw/zinc/47/19/87/455471987.db2.gz WYZBXEALIIMALV-NRFANRHFSA-N 2 0 332.532 3.424 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163112850 454824245 /nfs/dbraw/zinc/82/42/45/454824245.db2.gz NMTBAFDHJWPTID-JTNHKYCSSA-N 2 0 331.291 3.119 20 0 EGADRP C[NH+](C)C[C@H]1CCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000125498177 454826430 /nfs/dbraw/zinc/82/64/30/454826430.db2.gz YXJOQRPLQKRXHR-QGZVFWFLSA-N 2 0 325.456 3.044 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc2ccccc21)CN1CC[NH+](C)CC1 ZINC000177293912 454847313 /nfs/dbraw/zinc/84/73/13/454847313.db2.gz FDDUJWCVNNGSLG-MSOLQXFVSA-N 2 0 325.500 3.374 20 0 EGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635011841 460656005 /nfs/dbraw/zinc/65/60/05/460656005.db2.gz IAMFJGWPAKNXHB-UWHLTILDSA-N 2 0 327.516 3.080 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000111635212 454869857 /nfs/dbraw/zinc/86/98/57/454869857.db2.gz YQBSNKIHDZUDQE-WMZOPIPTSA-N 2 0 331.504 3.106 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000165925962 454905751 /nfs/dbraw/zinc/90/57/51/454905751.db2.gz SAZOHWOOLGIZCJ-NRFANRHFSA-N 2 0 349.478 3.150 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000154548845 454906546 /nfs/dbraw/zinc/90/65/46/454906546.db2.gz YNXQKPZRTUGVIR-IBGZPJMESA-N 2 0 331.504 3.196 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000126635018 454907297 /nfs/dbraw/zinc/90/72/97/454907297.db2.gz AHWLEFBLCTYBLK-HUUCEWRRSA-N 2 0 328.378 3.344 20 0 EGADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000150952883 454917335 /nfs/dbraw/zinc/91/73/35/454917335.db2.gz CTNRCADDZLAJIM-HXUWFJFHSA-N 2 0 333.520 3.152 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]CCCCC[NH+]3CCCCC3)cc12 ZINC000113343820 454923948 /nfs/dbraw/zinc/92/39/48/454923948.db2.gz QSXYZDSTBZXKLC-UHFFFAOYSA-N 2 0 329.492 3.023 20 0 EGADRP CC1CCC(Oc2cc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000168147437 454924574 /nfs/dbraw/zinc/92/45/74/454924574.db2.gz IBWMRSBQFLDAEA-DHRZBBNESA-N 2 0 331.504 3.469 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc12 ZINC000127441581 454964486 /nfs/dbraw/zinc/96/44/86/454964486.db2.gz HFOPFSWCVXZYEI-SJORKVTESA-N 2 0 341.499 3.135 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC4CCOCC4)CC[C@@H]32)cc1 ZINC000178650622 454966755 /nfs/dbraw/zinc/96/67/55/454966755.db2.gz JTRQPLGWNDKNJQ-RTWAWAEBSA-N 2 0 328.500 3.400 20 0 EGADRP C[C@@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127516255 454971896 /nfs/dbraw/zinc/97/18/96/454971896.db2.gz VIYLNPNMIIQGJE-BBRMVZONSA-N 2 0 339.936 3.102 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000127515780 454972603 /nfs/dbraw/zinc/97/26/03/454972603.db2.gz VIYLNPNMIIQGJE-XJKSGUPXSA-N 2 0 339.936 3.102 20 0 EGADRP CCCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000178779943 454976910 /nfs/dbraw/zinc/97/69/10/454976910.db2.gz KMIPYSHHIFSFGI-GOSISDBHSA-N 2 0 333.520 3.154 20 0 EGADRP Cc1ccc2ncc(C[NH2+]C[C@](O)(c3ccccc3)C(F)(F)F)n2c1 ZINC000178892081 454987478 /nfs/dbraw/zinc/98/74/78/454987478.db2.gz MLIXRSYHZSWNPO-KRWDZBQOSA-N 2 0 349.356 3.182 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000127796182 454997886 /nfs/dbraw/zinc/99/78/86/454997886.db2.gz YZMVZOSLMQYJEO-OLZOCXBDSA-N 2 0 330.303 3.280 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCCCC(F)(F)F)CC1 ZINC000151661858 455013829 /nfs/dbraw/zinc/01/38/29/455013829.db2.gz UKBVKJZFFPSPOZ-HOTGVXAUSA-N 2 0 335.458 3.209 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000152408353 455114593 /nfs/dbraw/zinc/11/45/93/455114593.db2.gz BRCZUTVSEBOYTK-MRXNPFEDSA-N 2 0 347.934 3.378 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000119039734 455121684 /nfs/dbraw/zinc/12/16/84/455121684.db2.gz MWRLAULIQMHGBW-ZCLUNYJNSA-N 2 0 347.547 3.396 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000119033271 455121734 /nfs/dbraw/zinc/12/17/34/455121734.db2.gz OYOJPNWKEYSUGR-YVWKXTFCSA-N 2 0 333.520 3.150 20 0 EGADRP CCN(C(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000152476434 455123826 /nfs/dbraw/zinc/12/38/26/455123826.db2.gz KABXDXOSBQEWDD-DLBZAZTESA-N 2 0 349.494 3.009 20 0 EGADRP COc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000156646221 455141300 /nfs/dbraw/zinc/14/13/00/455141300.db2.gz YXFOXFIKUODBDI-DGQTTZFYSA-N 2 0 345.531 3.150 20 0 EGADRP COc1ccc([C@H](CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000156645979 455141518 /nfs/dbraw/zinc/14/15/18/455141518.db2.gz YXFOXFIKUODBDI-JYWFKMLOSA-N 2 0 345.531 3.150 20 0 EGADRP CCC[NH+]1CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1 ZINC000172342891 455147337 /nfs/dbraw/zinc/14/73/37/455147337.db2.gz XAKXOSSYAGEQTO-UHFFFAOYSA-N 2 0 340.427 3.433 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000180439213 455170379 /nfs/dbraw/zinc/17/03/79/455170379.db2.gz DJMCIEKOBXAGAR-ICSRJNTNSA-N 2 0 349.588 3.276 20 0 EGADRP C[C@@H]1CCC[C@](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)([NH+](C)C)C1 ZINC000237367125 455177900 /nfs/dbraw/zinc/17/79/00/455177900.db2.gz PTDDEOHZHGSHAC-POAQFYNOSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000237383666 455179510 /nfs/dbraw/zinc/17/95/10/455179510.db2.gz YIIMWYMFLIEECI-VBZNHOPUSA-N 2 0 343.515 3.153 20 0 EGADRP COc1ccc([C@@H](C)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000180508470 455185798 /nfs/dbraw/zinc/18/57/98/455185798.db2.gz WGHAKKZRPNWZPB-SFHVURJKSA-N 2 0 346.515 3.376 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CC2([NH3+])CCC2)C1 ZINC000237467377 455186821 /nfs/dbraw/zinc/18/68/21/455186821.db2.gz WZMCHRNFAIGAMT-IAGOWNOFSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1noc(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237620248 455199644 /nfs/dbraw/zinc/19/96/44/455199644.db2.gz PTFRDRRJZDTZCG-GJZGRUSLSA-N 2 0 343.471 3.190 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237672064 455205534 /nfs/dbraw/zinc/20/55/34/455205534.db2.gz FYAKNWGOQIXSMD-LAUBAEHRSA-N 2 0 343.515 3.067 20 0 EGADRP C[N@@H+]1CCCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623657486 460666238 /nfs/dbraw/zinc/66/62/38/460666238.db2.gz ROZPDYIQKRQNBR-HXUWFJFHSA-N 2 0 329.532 3.015 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000245201699 455280050 /nfs/dbraw/zinc/28/00/50/455280050.db2.gz LTPNDMLAGPPHEP-ULQDDVLXSA-N 2 0 331.504 3.016 20 0 EGADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158808726 455330360 /nfs/dbraw/zinc/33/03/60/455330360.db2.gz YDBAQBMSQNDNBK-YLJYHZDGSA-N 2 0 332.488 3.270 20 0 EGADRP COC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000245607071 455339598 /nfs/dbraw/zinc/33/95/98/455339598.db2.gz AJUOTKDDSJZCLO-QFBILLFUSA-N 2 0 346.446 3.061 20 0 EGADRP CN(C(=O)C1CCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245630991 455344619 /nfs/dbraw/zinc/34/46/19/455344619.db2.gz DKIUJFBIUSFMBW-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP COC(=O)c1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)s1 ZINC000245743928 455370443 /nfs/dbraw/zinc/37/04/43/455370443.db2.gz XSFITTNRSNCZQQ-WFASDCNBSA-N 2 0 333.457 3.123 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000265915081 455404788 /nfs/dbraw/zinc/40/47/88/455404788.db2.gz AFJHOGNFGQRLPO-PXNSSMCTSA-N 2 0 345.531 3.331 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000191017235 455424985 /nfs/dbraw/zinc/42/49/85/455424985.db2.gz GYGZTPWMUZCNCC-MRXNPFEDSA-N 2 0 332.410 3.460 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247033856 455547692 /nfs/dbraw/zinc/54/76/92/455547692.db2.gz MJEDBDOVXAOAHP-ICSRJNTNSA-N 2 0 347.547 3.227 20 0 EGADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161516460 455577252 /nfs/dbraw/zinc/57/72/52/455577252.db2.gz QQSFKMZNPHFYIV-INIZCTEOSA-N 2 0 327.875 3.157 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000292206748 455595637 /nfs/dbraw/zinc/59/56/37/455595637.db2.gz YOBDRYRIGOYLLC-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000192438256 455615967 /nfs/dbraw/zinc/61/59/67/455615967.db2.gz BINBQMIMSIFHTE-UHFFFAOYSA-N 2 0 344.499 3.494 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000185869152 455638813 /nfs/dbraw/zinc/63/88/13/455638813.db2.gz GRRAPTOZBROHOA-LJQANCHMSA-N 2 0 337.511 3.469 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000284485177 455694533 /nfs/dbraw/zinc/69/45/33/455694533.db2.gz YCVRNWHDVPATSD-FQEVSTJZSA-N 2 0 348.450 3.071 20 0 EGADRP COc1ccsc1[C@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000186115362 455696778 /nfs/dbraw/zinc/69/67/78/455696778.db2.gz SCMJBLDMNNQSJY-AWEZNQCLSA-N 2 0 331.485 3.467 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268892344 455720841 /nfs/dbraw/zinc/72/08/41/455720841.db2.gz PGTBBJVXYGKSSV-MOPGFXCFSA-N 2 0 345.531 3.294 20 0 EGADRP Cc1ccc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)ccc2n1 ZINC000278029454 455737883 /nfs/dbraw/zinc/73/78/83/455737883.db2.gz WUVSIDQWOMECNL-QGZVFWFLSA-N 2 0 327.472 3.134 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284846237 455751479 /nfs/dbraw/zinc/75/14/79/455751479.db2.gz RGRPDZAKIIHBTL-CVEARBPZSA-N 2 0 338.293 3.369 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000268982354 455752846 /nfs/dbraw/zinc/75/28/46/455752846.db2.gz HYQPYHIWWAEGNP-UONOGXRCSA-N 2 0 348.409 3.245 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000268995188 455757536 /nfs/dbraw/zinc/75/75/36/455757536.db2.gz XIWCSUGILAIHSB-SOZVNFAGSA-N 2 0 328.500 3.447 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269004992 455759812 /nfs/dbraw/zinc/75/98/12/455759812.db2.gz MKEYIFFFNIGXHE-AWEZNQCLSA-N 2 0 333.451 3.149 20 0 EGADRP C[C@H](CCC1CC1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000186409228 455762302 /nfs/dbraw/zinc/76/23/02/455762302.db2.gz JGZZGOIHNUJJGI-QGZVFWFLSA-N 2 0 343.515 3.181 20 0 EGADRP CCN(CC)C(=O)[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000278124522 455764112 /nfs/dbraw/zinc/76/41/12/455764112.db2.gz UCSJDOPOBTYNSV-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000271840882 455782425 /nfs/dbraw/zinc/78/24/25/455782425.db2.gz GQNXTOSXIMBMLR-QFBILLFUSA-N 2 0 334.504 3.075 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000249935785 455784168 /nfs/dbraw/zinc/78/41/68/455784168.db2.gz SBXRRGGRMJAEBJ-QFBILLFUSA-N 2 0 335.923 3.155 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000269086273 455786416 /nfs/dbraw/zinc/78/64/16/455786416.db2.gz PMZHFUMIGGBHKC-DLBZAZTESA-N 2 0 338.492 3.101 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285200277 455803687 /nfs/dbraw/zinc/80/36/87/455803687.db2.gz WOESMEHXGXIMSX-SFHVURJKSA-N 2 0 343.515 3.020 20 0 EGADRP CCn1cc(CC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000285236637 455810274 /nfs/dbraw/zinc/81/02/74/455810274.db2.gz YJDFTLZKPLAOCS-ROUUACIJSA-N 2 0 340.515 3.192 20 0 EGADRP C=Cn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000194336209 455829960 /nfs/dbraw/zinc/82/99/60/455829960.db2.gz DRPJGMNOQULDFS-UHFFFAOYSA-N 2 0 336.439 3.498 20 0 EGADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000285383801 455833361 /nfs/dbraw/zinc/83/33/61/455833361.db2.gz AERFLEMOCROWQB-UHFFFAOYSA-N 2 0 347.894 3.051 20 0 EGADRP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261581436 455909086 /nfs/dbraw/zinc/90/90/86/455909086.db2.gz FZXVOJJHHBWVRD-UHFFFAOYSA-N 2 0 349.478 3.026 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c(F)ccc(Br)c3F)C[C@H]21 ZINC000261644367 455920044 /nfs/dbraw/zinc/92/00/44/455920044.db2.gz MAILBGROAWLYHE-GPCCPHFNSA-N 2 0 345.231 3.287 20 0 EGADRP Cn1cc(-c2ccc(CN3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)s2)cn1 ZINC000261772352 455944685 /nfs/dbraw/zinc/94/46/85/455944685.db2.gz DVVPHZPWKFNNFQ-ZWKOTPCHSA-N 2 0 338.480 3.075 20 0 EGADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1-n1ccnn1 ZINC000285937332 455945048 /nfs/dbraw/zinc/94/50/48/455945048.db2.gz FNJVJYZLFWVTKG-INIZCTEOSA-N 2 0 339.487 3.325 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272464687 455959757 /nfs/dbraw/zinc/95/97/57/455959757.db2.gz KQIRMAZAHCNOFQ-MDKPJZGXSA-N 2 0 342.458 3.359 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(-c3ccc4c(c3)CC[NH2+]CC4)n2)cc1 ZINC000261900251 455968188 /nfs/dbraw/zinc/96/81/88/455968188.db2.gz YMHOFZVOAODGNN-UHFFFAOYSA-N 2 0 348.450 3.153 20 0 EGADRP CCOc1cc(CN(C)C[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000261956846 455977576 /nfs/dbraw/zinc/97/75/76/455977576.db2.gz XFFRNHGMBFULNG-CQSZACIVSA-N 2 0 328.403 3.118 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272535373 455986294 /nfs/dbraw/zinc/98/62/94/455986294.db2.gz REJKRUFLZMEVEV-NBHGPNQESA-N 2 0 342.458 3.359 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000262089440 455995267 /nfs/dbraw/zinc/99/52/67/455995267.db2.gz GRDOXEHGGNAKIZ-LLVKDONJSA-N 2 0 345.256 3.026 20 0 EGADRP Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000286202754 455999966 /nfs/dbraw/zinc/99/99/66/455999966.db2.gz RSYHSUPQGKPXBL-QGZVFWFLSA-N 2 0 339.483 3.198 20 0 EGADRP CO[C@]1(C)CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000280571410 456002808 /nfs/dbraw/zinc/00/28/08/456002808.db2.gz LTXWKJPTCKEYPH-OAQYLSRUSA-N 2 0 345.531 3.218 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262147985 456004657 /nfs/dbraw/zinc/00/46/57/456004657.db2.gz QSCVHLOKWGODSO-FVJLSDCUSA-N 2 0 345.531 3.298 20 0 EGADRP [NH3+]Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)co1 ZINC000188134995 456004985 /nfs/dbraw/zinc/00/49/85/456004985.db2.gz UZWGQODDFAORGE-UHFFFAOYSA-N 2 0 341.455 3.044 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1ccc(F)cc1 ZINC000272592885 456006224 /nfs/dbraw/zinc/00/62/24/456006224.db2.gz SHTMIYFURWLJCP-AWEZNQCLSA-N 2 0 345.466 3.097 20 0 EGADRP CC[NH2+]CC1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000262341489 456027479 /nfs/dbraw/zinc/02/74/79/456027479.db2.gz UHLKFPBBFFGPLP-UHFFFAOYSA-N 2 0 344.286 3.253 20 0 EGADRP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000188243928 456029066 /nfs/dbraw/zinc/02/90/66/456029066.db2.gz IDSXAFYPMGISHD-BEVDRBHNSA-N 2 0 334.479 3.114 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1OC ZINC000286368573 456033978 /nfs/dbraw/zinc/03/39/78/456033978.db2.gz ZNZSQLNRYLDCBM-OAHLLOKOSA-N 2 0 334.504 3.406 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000262424349 456034466 /nfs/dbraw/zinc/03/44/66/456034466.db2.gz SDYQEHKHDPFDKJ-FXAWDEMLSA-N 2 0 329.488 3.247 20 0 EGADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)cc1 ZINC000219313869 456035576 /nfs/dbraw/zinc/03/55/76/456035576.db2.gz HAWJNQPSAULXBO-HNNXBMFYSA-N 2 0 329.282 3.068 20 0 EGADRP C[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000262918220 456068960 /nfs/dbraw/zinc/06/89/60/456068960.db2.gz DPJHWRFZJKSMMB-LBPRGKRZSA-N 2 0 343.393 3.367 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000280917150 456081711 /nfs/dbraw/zinc/08/17/11/456081711.db2.gz GYWCWQBWWZMRIQ-HIFRSBDPSA-N 2 0 330.394 3.243 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)cc1)C(C)C ZINC000272961772 456126102 /nfs/dbraw/zinc/12/61/02/456126102.db2.gz NPSZFEDSKXSTDK-KRWDZBQOSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000263331178 456126838 /nfs/dbraw/zinc/12/68/38/456126838.db2.gz MCEMVGNQBDUJEE-RBUKOAKNSA-N 2 0 325.456 3.016 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1)C(C)C ZINC000272990481 456136347 /nfs/dbraw/zinc/13/63/47/456136347.db2.gz KPTSRGUSDYTTQT-FQEVSTJZSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1ccc(CCC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000273014504 456144730 /nfs/dbraw/zinc/14/47/30/456144730.db2.gz BFSTYLRSQKJUTH-UHFFFAOYSA-N 2 0 343.559 3.418 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271187678 456160862 /nfs/dbraw/zinc/16/08/62/456160862.db2.gz KIUXZNANRCHEIQ-HDICACEKSA-N 2 0 340.515 3.158 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2)CC1 ZINC000236633565 456161688 /nfs/dbraw/zinc/16/16/88/456161688.db2.gz XKJYVHORUWUYOZ-UHFFFAOYSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Br)nc1 ZINC000289878014 456165546 /nfs/dbraw/zinc/16/55/46/456165546.db2.gz SKXYZPCBAIMKSG-GFCCVEGCSA-N 2 0 326.282 3.227 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236708622 456172412 /nfs/dbraw/zinc/17/24/12/456172412.db2.gz FKSVUTXXQHVAHH-FQEVSTJZSA-N 2 0 345.531 3.437 20 0 EGADRP C[C@@](O)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000297350388 456195333 /nfs/dbraw/zinc/19/53/33/456195333.db2.gz FFDICLVUXJYJFR-LJQANCHMSA-N 2 0 345.874 3.201 20 0 EGADRP C[NH+](C)CCOc1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000237196862 456246315 /nfs/dbraw/zinc/24/63/15/456246315.db2.gz SKEKWLQPJPJVMW-IBGZPJMESA-N 2 0 341.455 3.046 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189174259 456246496 /nfs/dbraw/zinc/24/64/96/456246496.db2.gz LRLJQIJXOCVDHX-GFCCVEGCSA-N 2 0 349.828 3.084 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)N3CCC[C@@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723182 456254697 /nfs/dbraw/zinc/25/46/97/456254697.db2.gz UZIXZJDRJXWASY-KUHUBIRLSA-N 2 0 344.434 3.321 20 0 EGADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000290233483 456272069 /nfs/dbraw/zinc/27/20/69/456272069.db2.gz RXRQDFIPSKNGOA-WSTZPKSXSA-N 2 0 326.484 3.297 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1(C)C ZINC000290266295 456276714 /nfs/dbraw/zinc/27/67/14/456276714.db2.gz LDBGBGBWIBSFAZ-LJQANCHMSA-N 2 0 340.515 3.161 20 0 EGADRP CCc1cc(NC[C@H](c2cccc(C)c2)N2CCOCC2)nc(C)n1 ZINC000302054942 456277172 /nfs/dbraw/zinc/27/71/72/456277172.db2.gz QDBAMQWEYFHRPC-LJQANCHMSA-N 2 0 340.471 3.141 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000302100947 456287969 /nfs/dbraw/zinc/28/79/69/456287969.db2.gz LVORXVACANBXBF-DLBZAZTESA-N 2 0 341.540 3.103 20 0 EGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000275691889 456288829 /nfs/dbraw/zinc/28/88/29/456288829.db2.gz KPEVLCWLPYGHMK-HXUWFJFHSA-N 2 0 341.503 3.184 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC(F)F ZINC000290380002 456310031 /nfs/dbraw/zinc/31/00/31/456310031.db2.gz IBIGEALFMVSOPX-CABCVRRESA-N 2 0 340.414 3.213 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C[C@H]4CCCOC4)CC[C@H]32)cc1 ZINC000342924130 456317185 /nfs/dbraw/zinc/31/71/85/456317185.db2.gz CVFWBXNFRGIYGP-NJDAHSKKSA-N 2 0 328.500 3.400 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000352800808 456319983 /nfs/dbraw/zinc/31/99/83/456319983.db2.gz PZGOZUTWMVMLSV-YLJYHZDGSA-N 2 0 343.515 3.060 20 0 EGADRP c1cn2c(cccc2C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)n1 ZINC000290407551 456319956 /nfs/dbraw/zinc/31/99/56/456319956.db2.gz JWNZCRDSDHNVDP-INIZCTEOSA-N 2 0 331.423 3.349 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000275815853 456321453 /nfs/dbraw/zinc/32/14/53/456321453.db2.gz FQOGYKSILQMGAR-UYAOXDASSA-N 2 0 341.503 3.039 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000290420768 456323721 /nfs/dbraw/zinc/32/37/21/456323721.db2.gz USDCPAPOXLEJMQ-UZLBHIALSA-N 2 0 340.515 3.161 20 0 EGADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000290440874 456330474 /nfs/dbraw/zinc/33/04/74/456330474.db2.gz RIEQABMELYMHSL-MRXNPFEDSA-N 2 0 334.508 3.033 20 0 EGADRP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347749136 456348488 /nfs/dbraw/zinc/34/84/88/456348488.db2.gz ABBMNZALYGPYJI-UXHICEINSA-N 2 0 345.531 3.087 20 0 EGADRP CC[C@H](C)c1nnc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000298054993 456354922 /nfs/dbraw/zinc/35/49/22/456354922.db2.gz JGRSNNNNJIWJKZ-KBPBESRZSA-N 2 0 328.464 3.033 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@H]1CN(CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051766 456373055 /nfs/dbraw/zinc/37/30/55/456373055.db2.gz SDLRLNPYXPGHAV-FFZOFVMBSA-N 2 0 333.520 3.008 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC(F)F ZINC000290632565 456388343 /nfs/dbraw/zinc/38/83/43/456388343.db2.gz YBTXYQDNOCVGLT-HUUCEWRRSA-N 2 0 340.414 3.213 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCc2nccs2)CC1 ZINC000347842809 456399061 /nfs/dbraw/zinc/39/90/61/456399061.db2.gz SWAOEDJMEJYRIU-UHFFFAOYSA-N 2 0 344.528 3.007 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340350026 456406536 /nfs/dbraw/zinc/40/65/36/456406536.db2.gz KUYSLCWUGSEWKG-WOJBJXKFSA-N 2 0 328.500 3.456 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000298269847 456410230 /nfs/dbraw/zinc/41/02/30/456410230.db2.gz GIVBTLSCZCDCRE-UHFFFAOYSA-N 2 0 326.444 3.024 20 0 EGADRP CSC1(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398401 456436637 /nfs/dbraw/zinc/43/66/37/456436637.db2.gz ZWUGSHABVBNYNJ-RTBURBONSA-N 3 0 347.572 3.239 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000348087511 456468951 /nfs/dbraw/zinc/46/89/51/456468951.db2.gz PHQGWSRGNYXUNT-SJORKVTESA-N 2 0 327.476 3.182 20 0 EGADRP C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603501 456499792 /nfs/dbraw/zinc/49/97/92/456499792.db2.gz ZJJURENPNZCFRZ-FGTMMUONSA-N 2 0 330.520 3.006 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000340524087 456510426 /nfs/dbraw/zinc/51/04/26/456510426.db2.gz FJEOMFKGCMAXBZ-SFHVURJKSA-N 2 0 342.487 3.236 20 0 EGADRP C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353155112 456527560 /nfs/dbraw/zinc/52/75/60/456527560.db2.gz ODHVRVMXGKPYMZ-VHRCFOOQSA-N 2 0 344.499 3.301 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC000282498953 456533019 /nfs/dbraw/zinc/53/30/19/456533019.db2.gz YAELPRAJJNNSMI-MOPGFXCFSA-N 2 0 333.495 3.077 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1(C)C ZINC000282503849 456535357 /nfs/dbraw/zinc/53/53/57/456535357.db2.gz YIKJJLUYTYOGNK-UHFFFAOYSA-N 2 0 335.923 3.202 20 0 EGADRP CC(C)(C)OC(=O)N(CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C ZINC000310035802 456578941 /nfs/dbraw/zinc/57/89/41/456578941.db2.gz MQVVTKUQTRTOML-OAHLLOKOSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000310184422 456580329 /nfs/dbraw/zinc/58/03/29/456580329.db2.gz YCHJPLDHJPNMDS-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP Clc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000315257075 456605977 /nfs/dbraw/zinc/60/59/77/456605977.db2.gz SOCTWUOWGQXUML-BETUJISGSA-N 2 0 329.271 3.304 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC(F)F ZINC000321196601 456635735 /nfs/dbraw/zinc/63/57/35/456635735.db2.gz WTVHXYSNALWPQM-CQSZACIVSA-N 2 0 328.403 3.117 20 0 EGADRP C[N@H+](Cc1ccc(F)c(-c2cccs2)c1)C1CCN(CCO)CC1 ZINC000353360848 456645588 /nfs/dbraw/zinc/64/55/88/456645588.db2.gz MSNFOKNVZJQDNI-UHFFFAOYSA-N 2 0 348.487 3.443 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000348360063 456647399 /nfs/dbraw/zinc/64/73/99/456647399.db2.gz BYSWGCVVVYEKFG-OALUTQOASA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[C@@H](C[NH2+]C1CC(c2ccccc2Cl)C1)N1CC[NH+](C)CC1 ZINC000324456821 456667914 /nfs/dbraw/zinc/66/79/14/456667914.db2.gz FQKINQXOMPEGJD-LBXVMSDZSA-N 2 0 349.950 3.448 20 0 EGADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000325868424 456688112 /nfs/dbraw/zinc/68/81/12/456688112.db2.gz KLKYGHBRLPJISO-VAMGGRTRSA-N 2 0 327.516 3.340 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000343538807 456694232 /nfs/dbraw/zinc/69/42/32/456694232.db2.gz OKQDKDMWJBKRDM-UHFFFAOYSA-N 2 0 340.458 3.330 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000340818928 456702475 /nfs/dbraw/zinc/70/24/75/456702475.db2.gz HZMWADQCOQEDFX-MOPGFXCFSA-N 2 0 337.552 3.362 20 0 EGADRP COc1ccc(-c2nc(CN3CCC[C@@H]([NH+](C)C)CC3)co2)cc1 ZINC000277168703 456706230 /nfs/dbraw/zinc/70/62/30/456706230.db2.gz KOHCDHMAKFWCSW-QGZVFWFLSA-N 2 0 329.444 3.266 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)ccn1 ZINC000277215078 456728016 /nfs/dbraw/zinc/72/80/16/456728016.db2.gz KRACZPJWJNGZEW-HZPDHXFCSA-N 2 0 337.533 3.032 20 0 EGADRP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)ccc(O)c2n1 ZINC000338276226 456744228 /nfs/dbraw/zinc/74/42/28/456744228.db2.gz CJPUOLMFVKPUCA-SJLPKXTDSA-N 2 0 325.456 3.165 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000348671521 456808907 /nfs/dbraw/zinc/80/89/07/456808907.db2.gz XKGBSLYSKUCZML-FXAWDEMLSA-N 2 0 345.531 3.263 20 0 EGADRP Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(-c2ccnn2C)c1 ZINC000338430389 456814271 /nfs/dbraw/zinc/81/42/71/456814271.db2.gz LACMHYQSJJEXJM-UHFFFAOYSA-N 2 0 326.488 3.361 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292024771 456833985 /nfs/dbraw/zinc/83/39/85/456833985.db2.gz YNHQGUVOPAWHFP-LEWJYISDSA-N 2 0 330.516 3.178 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1C ZINC000353658485 456837526 /nfs/dbraw/zinc/83/75/26/456837526.db2.gz JMCUDWQFUPANQK-RHSMWYFYSA-N 2 0 347.894 3.225 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[N@@H+]1C ZINC000344635433 456843341 /nfs/dbraw/zinc/84/33/41/456843341.db2.gz TUCSLOYINCWCRH-DZGCQCFKSA-N 2 0 332.879 3.313 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000353671836 456845867 /nfs/dbraw/zinc/84/58/67/456845867.db2.gz OQEPURJUHKHACY-IOJLRTSASA-N 2 0 338.499 3.231 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000292108775 456857199 /nfs/dbraw/zinc/85/71/99/456857199.db2.gz PEVFJXIDGONNMR-YZGWKJHDSA-N 2 0 343.515 3.030 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(C)n2)[C@H](C)C1 ZINC000353864822 456941928 /nfs/dbraw/zinc/94/19/28/456941928.db2.gz JXGZOWJNYZWKMV-XLIONFOSSA-N 2 0 333.520 3.049 20 0 EGADRP CC[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345206306 456967939 /nfs/dbraw/zinc/96/79/39/456967939.db2.gz PEVHIGZWLNZSIE-ICSRJNTNSA-N 2 0 332.488 3.208 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345306939 456974629 /nfs/dbraw/zinc/97/46/29/456974629.db2.gz UPWINWBVJIKDLE-KXBFYZLASA-N 2 0 335.923 3.407 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000353953015 456977718 /nfs/dbraw/zinc/97/77/18/456977718.db2.gz XLCNNPGTDIKFCD-HKUYNNGSSA-N 2 0 348.535 3.017 20 0 EGADRP COCC[N@H+](C)CC[C@H](N[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000341890713 456988320 /nfs/dbraw/zinc/98/83/20/456988320.db2.gz QFMSBJWOWYSDJT-IZZBFERCSA-N 3 0 347.547 3.014 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341896501 456990767 /nfs/dbraw/zinc/99/07/67/456990767.db2.gz OCBISVHBNQIFQJ-INIZCTEOSA-N 2 0 345.409 3.033 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3coc4ccccc34)CC2)CC1 ZINC000354026494 457019416 /nfs/dbraw/zinc/01/94/16/457019416.db2.gz UTOLFEKYFFIGHJ-UHFFFAOYSA-N 2 0 341.499 3.423 20 0 EGADRP CCOc1cccc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)c1 ZINC000354034067 457023605 /nfs/dbraw/zinc/02/36/05/457023605.db2.gz OVYALHBDADZKLU-UHFFFAOYSA-N 2 0 334.504 3.408 20 0 EGADRP Cc1cccc2ncc(CN3CC[NH+](CCc4ccccc4)CC3)n21 ZINC000349751041 457038609 /nfs/dbraw/zinc/03/86/09/457038609.db2.gz WVSATLMRJQONSY-UHFFFAOYSA-N 2 0 334.467 3.003 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC(OC)CC2)[C@H](C)C1 ZINC000359007336 457047227 /nfs/dbraw/zinc/04/72/27/457047227.db2.gz ZTBQBWNYLFRPPP-SOAISFHBSA-N 2 0 340.552 3.308 20 0 EGADRP CC[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC000359169467 457061712 /nfs/dbraw/zinc/06/17/12/457061712.db2.gz CFZDJJTWQLYSPB-ABSDTBQOSA-N 2 0 345.531 3.121 20 0 EGADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000359206381 457063554 /nfs/dbraw/zinc/06/35/54/457063554.db2.gz HOPCPLJVNACOPX-SJORKVTESA-N 2 0 343.298 3.273 20 0 EGADRP CC[C@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000339358976 457066794 /nfs/dbraw/zinc/06/67/94/457066794.db2.gz BJWLHZCYSRRODM-AZUAARDMSA-N 2 0 345.531 3.278 20 0 EGADRP COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OC(F)F ZINC000339437301 457118493 /nfs/dbraw/zinc/11/84/93/457118493.db2.gz MYHXIKMUBGQDPS-SFHVURJKSA-N 2 0 340.414 3.214 20 0 EGADRP C(CC[N@@H+]1CCCO[C@H]2CCC[C@H]21)C[NH+]1CCCO[C@@H]2CCC[C@H]21 ZINC000359866527 457136577 /nfs/dbraw/zinc/13/65/77/457136577.db2.gz IFBXPPGHDLXSJB-WTGUMLROSA-N 2 0 336.520 3.053 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000359950763 457166581 /nfs/dbraw/zinc/16/65/81/457166581.db2.gz UVOIKXJJYQNXIC-LQWHRVPQSA-N 2 0 329.532 3.491 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342218653 457175384 /nfs/dbraw/zinc/17/53/84/457175384.db2.gz MYWVQAQHEZWCEP-LJQANCHMSA-N 2 0 329.488 3.136 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000354293165 457178368 /nfs/dbraw/zinc/17/83/68/457178368.db2.gz ZSBLDWMHRKXJPT-FQEVSTJZSA-N 2 0 343.515 3.162 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000350674979 457197188 /nfs/dbraw/zinc/19/71/88/457197188.db2.gz FOKQEDHSCGJQCX-RTBURBONSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)C1CC[NH2+]CC1 ZINC000347040582 457198949 /nfs/dbraw/zinc/19/89/49/457198949.db2.gz KRQSMBUVEYBLPF-UHFFFAOYSA-N 2 0 328.403 3.261 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000347047670 457202708 /nfs/dbraw/zinc/20/27/08/457202708.db2.gz VIQOEEFMNIWUPR-OAHLLOKOSA-N 2 0 349.544 3.341 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000339681097 457209953 /nfs/dbraw/zinc/20/99/53/457209953.db2.gz DWSXYMBHFJWEGS-SJORKVTESA-N 2 0 335.561 3.475 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360030980 457214623 /nfs/dbraw/zinc/21/46/23/457214623.db2.gz YKDCKGKHMLJJMO-BPUTZDHNSA-N 2 0 327.472 3.194 20 0 EGADRP CCOc1cccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1OC(F)F ZINC000347114104 457236617 /nfs/dbraw/zinc/23/66/17/457236617.db2.gz SDFDKUWSCQYLDF-GFCCVEGCSA-N 2 0 328.403 3.246 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000347184587 457276871 /nfs/dbraw/zinc/27/68/71/457276871.db2.gz XUTLSGOBMPVFLN-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC000342421249 457294304 /nfs/dbraw/zinc/29/43/04/457294304.db2.gz DQDGZHOZYWUVBU-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342426674 457297871 /nfs/dbraw/zinc/29/78/71/457297871.db2.gz FBENCNIEUKRUKM-QGZVFWFLSA-N 2 0 327.472 3.051 20 0 EGADRP CCOc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OCC ZINC000357055471 457301429 /nfs/dbraw/zinc/30/14/29/457301429.db2.gz RQRCDQWXNPYXJU-GOSISDBHSA-N 2 0 332.488 3.306 20 0 EGADRP C[N@H+](CCOCC[NH3+])[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000357081898 457313240 /nfs/dbraw/zinc/31/32/40/457313240.db2.gz NUDLYGLDXMCVMO-SFHVURJKSA-N 2 0 336.838 3.476 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000357087779 457315761 /nfs/dbraw/zinc/31/57/61/457315761.db2.gz SHXMNSZOLDSYIB-MJGOQNOKSA-N 2 0 343.515 3.260 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000352130365 457340110 /nfs/dbraw/zinc/34/01/10/457340110.db2.gz YTGRMBMFPKEAOI-IBGZPJMESA-N 2 0 333.520 3.310 20 0 EGADRP COCCSCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352440513 457368374 /nfs/dbraw/zinc/36/83/74/457368374.db2.gz OVHCIBFZRXGBEW-PMACEKPBSA-N 2 0 348.556 3.210 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000378249658 457384342 /nfs/dbraw/zinc/38/43/42/457384342.db2.gz YAZNQENQYBATQZ-OXQOHEQNSA-N 2 0 347.934 3.428 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000357295126 457428027 /nfs/dbraw/zinc/42/80/27/457428027.db2.gz JNYJWHQBEGLIKG-UHFFFAOYSA-N 2 0 343.515 3.227 20 0 EGADRP C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395230778 457476376 /nfs/dbraw/zinc/47/63/76/457476376.db2.gz VRLYTEUUSZSCPS-JBACZVJFSA-N 2 0 329.532 3.409 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC000369962354 457479768 /nfs/dbraw/zinc/47/97/68/457479768.db2.gz XSRLAZTYKBLKRR-WOJBJXKFSA-N 2 0 343.515 3.017 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000342753058 457499424 /nfs/dbraw/zinc/49/94/24/457499424.db2.gz OXZHPXZJDUUMOY-FXAWDEMLSA-N 2 0 345.531 3.313 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)cc2)C1 ZINC000342762711 457507403 /nfs/dbraw/zinc/50/74/03/457507403.db2.gz ZMGSXLZBHRNVTK-JTDSTZFVSA-N 2 0 329.488 3.245 20 0 EGADRP Cc1cccc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000399698963 457510061 /nfs/dbraw/zinc/51/00/61/457510061.db2.gz AYEHGAOTPDUMCQ-LEWJYISDSA-N 2 0 335.495 3.386 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400460112 457517048 /nfs/dbraw/zinc/51/70/48/457517048.db2.gz UIHILXHMWCBICO-DOTOQJQBSA-N 2 0 339.524 3.237 20 0 EGADRP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000401067302 457521516 /nfs/dbraw/zinc/52/15/16/457521516.db2.gz JACMRMPCWYSELX-HSALFYBXSA-N 2 0 327.516 3.019 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000401022434 457522161 /nfs/dbraw/zinc/52/21/61/457522161.db2.gz YIBOWAVWNDYZEA-YUMYIRISSA-N 3 0 341.543 3.266 20 0 EGADRP Cc1cnc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000342789806 457530278 /nfs/dbraw/zinc/53/02/78/457530278.db2.gz YCXUMGHGHZRVDD-VQTJNVASSA-N 2 0 338.499 3.215 20 0 EGADRP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342807487 457538966 /nfs/dbraw/zinc/53/89/66/457538966.db2.gz ZYZRGWVUUDQDMD-GOSISDBHSA-N 2 0 334.504 3.310 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H]3CC=CCC3)CC2)CC1 ZINC000374282638 457567360 /nfs/dbraw/zinc/56/73/60/457567360.db2.gz GDNLNONAXRRUQD-FQEVSTJZSA-N 2 0 333.564 3.471 20 0 EGADRP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000357643144 457637462 /nfs/dbraw/zinc/63/74/62/457637462.db2.gz WWIOMQKHGTWUNM-KRWDZBQOSA-N 2 0 348.535 3.055 20 0 EGADRP c1c(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425895669 457649003 /nfs/dbraw/zinc/64/90/03/457649003.db2.gz KGAKTKJHWWYJCO-YLJYHZDGSA-N 2 0 341.455 3.009 20 0 EGADRP COCC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000425937039 457656256 /nfs/dbraw/zinc/65/62/56/457656256.db2.gz PJFGVSHWACTIKN-MJGOQNOKSA-N 2 0 338.536 3.062 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000357742609 457675456 /nfs/dbraw/zinc/67/54/56/457675456.db2.gz LMPHVTUOFZGMRB-HKUYNNGSSA-N 2 0 348.535 3.017 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC000370634070 457687355 /nfs/dbraw/zinc/68/73/55/457687355.db2.gz JQBNCNVEINLBHR-UWJYYQICSA-N 2 0 341.543 3.385 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1F ZINC000370635040 457688048 /nfs/dbraw/zinc/68/80/48/457688048.db2.gz NPJMNMZZDQKZIT-HNAYVOBHSA-N 2 0 337.458 3.174 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370712074 457704669 /nfs/dbraw/zinc/70/46/69/457704669.db2.gz ZHBYSFVPVYJDOZ-APWZRJJASA-N 2 0 343.540 3.359 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000357842529 457708200 /nfs/dbraw/zinc/70/82/00/457708200.db2.gz BLOXMPUNVQNHGI-IPYPFGDCSA-N 2 0 345.409 3.188 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000433143069 457764424 /nfs/dbraw/zinc/76/44/24/457764424.db2.gz GRJMJDZDKIOPBY-MRXNPFEDSA-N 2 0 339.483 3.220 20 0 EGADRP Cc1ccc2cc([C@@H](C)[NH2+]CCCN3CCC[N@H+](C)CC3)oc2c1 ZINC000426049146 457765944 /nfs/dbraw/zinc/76/59/44/457765944.db2.gz IQIWEKBBRJRPGJ-QGZVFWFLSA-N 2 0 329.488 3.419 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433372681 457822895 /nfs/dbraw/zinc/82/28/95/457822895.db2.gz POQMHBZSCWYFEP-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP Cc1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000444005904 457840374 /nfs/dbraw/zinc/84/03/74/457840374.db2.gz ZBIGYGUAROAXCK-FQEVSTJZSA-N 2 0 344.886 3.375 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(F)cc1Cl ZINC000371291930 457850774 /nfs/dbraw/zinc/85/07/74/457850774.db2.gz AIDGGCJHDWMZHB-DJIMGWMZSA-N 2 0 326.843 3.163 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303399 457856306 /nfs/dbraw/zinc/85/63/06/457856306.db2.gz OJMUYDPMJWAJIP-GCJKJVERSA-N 2 0 337.511 3.298 20 0 EGADRP COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411397597 457874076 /nfs/dbraw/zinc/87/40/76/457874076.db2.gz HZKLVHPHXZDSSD-LJQANCHMSA-N 2 0 330.472 3.200 20 0 EGADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358233798 457876424 /nfs/dbraw/zinc/87/64/24/457876424.db2.gz FJFLEZVFNADRJB-VLIAUNLRSA-N 2 0 343.446 3.184 20 0 EGADRP CN1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248937 457885648 /nfs/dbraw/zinc/88/56/48/457885648.db2.gz HUZRHYIDZBGLJY-HOTGVXAUSA-N 2 0 329.271 3.101 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000361833503 457894265 /nfs/dbraw/zinc/89/42/65/457894265.db2.gz OEBDMIUWUMIISX-KRWDZBQOSA-N 2 0 340.895 3.281 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@H]1C ZINC000361836535 457896827 /nfs/dbraw/zinc/89/68/27/457896827.db2.gz GGLKSIZREJXTRE-IEBWSBKVSA-N 2 0 326.488 3.485 20 0 EGADRP Cc1ccc([C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000458057849 457917643 /nfs/dbraw/zinc/91/76/43/457917643.db2.gz YVGVAHJBHFUXIV-SFHVURJKSA-N 2 0 348.535 3.017 20 0 EGADRP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328433 457936691 /nfs/dbraw/zinc/93/66/91/457936691.db2.gz LTVLCPZDJJFEQT-NLEAXPPASA-N 2 0 346.515 3.242 20 0 EGADRP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n(-c2ccccc2)n1 ZINC000358344725 457948066 /nfs/dbraw/zinc/94/80/66/457948066.db2.gz XOXIVCYCTIXIQL-QRFRQXIXSA-N 2 0 338.499 3.328 20 0 EGADRP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000411689632 457951848 /nfs/dbraw/zinc/95/18/48/457951848.db2.gz DSXFTJYQHVCFDX-YCKXBTPASA-N 2 0 340.552 3.401 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427194791 457957032 /nfs/dbraw/zinc/95/70/32/457957032.db2.gz XEKMJLLWOMOMAL-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP CO[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000411808355 457983760 /nfs/dbraw/zinc/98/37/60/457983760.db2.gz SFAKPMNEOHMWIK-VYJAJWGXSA-N 2 0 340.552 3.116 20 0 EGADRP CC(C)CCOCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427673475 458018822 /nfs/dbraw/zinc/01/88/22/458018822.db2.gz ULGXNGKRIFABAJ-RTBURBONSA-N 2 0 340.552 3.260 20 0 EGADRP CC(C)CCOCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427673473 458019851 /nfs/dbraw/zinc/01/98/51/458019851.db2.gz ULGXNGKRIFABAJ-KDURUIRLSA-N 2 0 340.552 3.260 20 0 EGADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435373765 458123889 /nfs/dbraw/zinc/12/38/89/458123889.db2.gz VKYROFCKIFSVIR-TZMCWYRMSA-N 2 0 338.377 3.060 20 0 EGADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000375988952 458152079 /nfs/dbraw/zinc/15/20/79/458152079.db2.gz OXKJJQJYWFUZEW-PZJWPPBQSA-N 2 0 338.499 3.299 20 0 EGADRP Cc1nc2ccccn2c1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435613544 458172284 /nfs/dbraw/zinc/17/22/84/458172284.db2.gz BTPTWCQEFUHBKR-LJQANCHMSA-N 2 0 349.482 3.182 20 0 EGADRP CC[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435623249 458174901 /nfs/dbraw/zinc/17/49/01/458174901.db2.gz GTRRPOVYMBTFMU-IBGZPJMESA-N 2 0 331.504 3.036 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1)CC(C)C ZINC000358746738 458188029 /nfs/dbraw/zinc/18/80/29/458188029.db2.gz QSGQSIQBOLCGJD-FQEVSTJZSA-N 2 0 345.531 3.293 20 0 EGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412389881 458189280 /nfs/dbraw/zinc/18/92/80/458189280.db2.gz ARAIMLXQCXPDLB-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP COC[C@H]1CCCC[NH+](CCCC[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000372109741 458198115 /nfs/dbraw/zinc/19/81/15/458198115.db2.gz VNKLUQKPJNQBMI-PMACEKPBSA-N 2 0 340.552 3.264 20 0 EGADRP C[NH2+]CCCN(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000435886199 458217501 /nfs/dbraw/zinc/21/75/01/458217501.db2.gz UIKBPYDZUFIOCK-UHFFFAOYSA-N 2 0 334.895 3.243 20 0 EGADRP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000446825798 458233169 /nfs/dbraw/zinc/23/31/69/458233169.db2.gz KVDNFLVBUQUCAJ-PZJWPPBQSA-N 2 0 330.516 3.346 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000429062311 458267123 /nfs/dbraw/zinc/26/71/23/458267123.db2.gz QBJGVNWHGMTCGC-PBHICJAKSA-N 2 0 337.895 3.473 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000459350409 458339848 /nfs/dbraw/zinc/33/98/48/458339848.db2.gz YRBZQMWZQFFNPI-UWJYYQICSA-N 2 0 327.516 3.022 20 0 EGADRP CC1CC[NH+](C[C@H](O)C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000447820683 458347755 /nfs/dbraw/zinc/34/77/55/458347755.db2.gz HZNVUWAGBQRXPZ-OAHLLOKOSA-N 2 0 342.886 3.094 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459421030 458364726 /nfs/dbraw/zinc/36/47/26/458364726.db2.gz YQIHZIWUFSREJS-UHFFFAOYSA-N 2 0 346.519 3.394 20 0 EGADRP O[C@H]1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)N(Cc2ccccc2)C1 ZINC000459451675 458376053 /nfs/dbraw/zinc/37/60/53/458376053.db2.gz LNPGFKXGKSUXQD-PMACEKPBSA-N 2 0 344.886 3.108 20 0 EGADRP CC(C)OC1CC([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000459502378 458393598 /nfs/dbraw/zinc/39/35/98/458393598.db2.gz PAZWGUSYGGRHNK-IKJYFWGWSA-N 2 0 328.500 3.396 20 0 EGADRP CCc1noc(C2CCC([NH2+]C[C@@H]3CCCn4cc(C)nc43)CC2)n1 ZINC000373120738 458402594 /nfs/dbraw/zinc/40/25/94/458402594.db2.gz HJYRQTYUSLDCKS-PCKAHOCUSA-N 2 0 343.475 3.330 20 0 EGADRP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459557126 458410860 /nfs/dbraw/zinc/41/08/60/458410860.db2.gz GUFMPLQABQDTLC-BFUOFWGJSA-N 2 0 327.403 3.301 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ncc(Br)cc1F ZINC000423430900 458431304 /nfs/dbraw/zinc/43/13/04/458431304.db2.gz UZNJBITZDGMNLA-IJLUTSLNSA-N 2 0 344.272 3.399 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423477753 458438332 /nfs/dbraw/zinc/43/83/32/458438332.db2.gz KISFRUBFNXRSMD-KJJMTIBFSA-N 3 0 341.543 3.409 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(CO)c1 ZINC000423481979 458439709 /nfs/dbraw/zinc/43/97/09/458439709.db2.gz XGJGDYNPRCXXCI-MFMILTCTSA-N 2 0 342.458 3.362 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423505045 458445937 /nfs/dbraw/zinc/44/59/37/458445937.db2.gz HBOMAXOZGDQZDX-GUGJDKNPSA-N 2 0 341.543 3.375 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000459721839 458457201 /nfs/dbraw/zinc/45/72/01/458457201.db2.gz BDYDBPFUSWSTFQ-QZTJIDSGSA-N 2 0 331.504 3.342 20 0 EGADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000459724453 458458511 /nfs/dbraw/zinc/45/85/11/458458511.db2.gz DSDBFPHQRKSLCJ-ZDUSSCGKSA-N 2 0 328.403 3.118 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000459730029 458461184 /nfs/dbraw/zinc/46/11/84/458461184.db2.gz JRZCRTUFZPOWLI-HXUWFJFHSA-N 2 0 329.532 3.015 20 0 EGADRP CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430583915 458466832 /nfs/dbraw/zinc/46/68/32/458466832.db2.gz YHGDHQWXSHDQRC-HXUWFJFHSA-N 2 0 341.455 3.380 20 0 EGADRP CC(C)c1ccc([C@H](NC(=O)C[NH+]2CCC(C[NH3+])CC2)C(C)C)cc1 ZINC000430611703 458471864 /nfs/dbraw/zinc/47/18/64/458471864.db2.gz OVPCIQKTALMDSE-OAQYLSRUSA-N 2 0 345.531 3.294 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1cccc2ccccc21 ZINC000430614551 458471990 /nfs/dbraw/zinc/47/19/90/458471990.db2.gz ZECFNJCQHSIIBC-HNAYVOBHSA-N 2 0 325.456 3.370 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459782589 458477954 /nfs/dbraw/zinc/47/79/54/458477954.db2.gz MRJLQLZPLRUQNA-DLBZAZTESA-N 2 0 334.504 3.265 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC3 ZINC000459786674 458479216 /nfs/dbraw/zinc/47/92/16/458479216.db2.gz PGPDYFPLLGCSQV-CVEARBPZSA-N 2 0 341.499 3.355 20 0 EGADRP CO[C@@H]1CC[N@H+](CC[C@H](C)[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564629 458481369 /nfs/dbraw/zinc/48/13/69/458481369.db2.gz MBVMQQBZJBZLIV-KSZLIROESA-N 2 0 340.552 3.259 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000430772504 458490269 /nfs/dbraw/zinc/49/02/69/458490269.db2.gz BZHXHOQJGIOPOL-YRXWBPOGSA-N 2 0 337.552 3.029 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909741 458511473 /nfs/dbraw/zinc/51/14/73/458511473.db2.gz UJPVBLYBXJLBLU-ZVDOUQERSA-N 2 0 343.515 3.017 20 0 EGADRP Clc1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000431016287 458517072 /nfs/dbraw/zinc/51/70/72/458517072.db2.gz ZJWTUIKMCZBSQE-UHFFFAOYSA-N 2 0 329.271 3.448 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438193780 458546734 /nfs/dbraw/zinc/54/67/34/458546734.db2.gz XLQMOGZTRIYILU-DLBZAZTESA-N 2 0 349.494 3.045 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000461225974 458551064 /nfs/dbraw/zinc/55/10/64/458551064.db2.gz KXDAWVGKSBVFOC-AOIWGVFYSA-N 2 0 348.535 3.097 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)CC1CCCCC1 ZINC000424144826 458570609 /nfs/dbraw/zinc/57/06/09/458570609.db2.gz MDUJQJZAJLLRNO-RBUKOAKNSA-N 2 0 335.536 3.009 20 0 EGADRP [NH3+][C@@H](CCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)CC1CCCCC1 ZINC000424176262 458577487 /nfs/dbraw/zinc/57/74/87/458577487.db2.gz ORVBRNQOFQFPFT-INIZCTEOSA-N 2 0 347.478 3.488 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000469865180 458598571 /nfs/dbraw/zinc/59/85/71/458598571.db2.gz IIARNZONCYMYTC-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(OC[C@@H]3CCCO3)cc1)CC[NH2+]CC2 ZINC000424282674 458601981 /nfs/dbraw/zinc/60/19/81/458601981.db2.gz AACXMPUKEQNHTF-PXNSSMCTSA-N 2 0 344.499 3.208 20 0 EGADRP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000469954462 458602383 /nfs/dbraw/zinc/60/23/83/458602383.db2.gz VFZBUZMJTNOYQE-SIKLNZKXSA-N 2 0 343.559 3.310 20 0 EGADRP CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[NH+](CC)CC ZINC000469986934 458604604 /nfs/dbraw/zinc/60/46/04/458604604.db2.gz HYGAPYCZHPCKBW-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424293720 458606364 /nfs/dbraw/zinc/60/63/64/458606364.db2.gz PSIZZIRSCBRDQU-QGZVFWFLSA-N 2 0 329.488 3.014 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1sccc1Br)CC[NH2+]CC2 ZINC000424299006 458608370 /nfs/dbraw/zinc/60/83/70/458608370.db2.gz VIRHKKWIXRCEDK-LLVKDONJSA-N 2 0 329.307 3.475 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1)CC[NH2+]CC2 ZINC000424299780 458608922 /nfs/dbraw/zinc/60/89/22/458608922.db2.gz VTHPMUSELJMIEG-LXPRWKDFSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431722484 458613069 /nfs/dbraw/zinc/61/30/69/458613069.db2.gz MFPUTOMMRLXOBG-MJGOQNOKSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000431773146 458620989 /nfs/dbraw/zinc/62/09/89/458620989.db2.gz AHFDVSYRUYRBDJ-PKOBYXMFSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455928085 458623052 /nfs/dbraw/zinc/62/30/52/458623052.db2.gz NVQKSAXHHQBSIW-KDOFPFPSSA-N 2 0 332.492 3.087 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000424447607 458646283 /nfs/dbraw/zinc/64/62/83/458646283.db2.gz VVZJMRUBYJVSDZ-HNNXBMFYSA-N 2 0 332.492 3.087 20 0 EGADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000502721975 458666624 /nfs/dbraw/zinc/66/66/24/458666624.db2.gz HUHNWBMMZQAAON-PZJWPPBQSA-N 2 0 346.515 3.456 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470966599 458672087 /nfs/dbraw/zinc/67/20/87/458672087.db2.gz JZEUZMQECFRFGI-LPHOPBHVSA-N 2 0 343.515 3.240 20 0 EGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000463038597 458672830 /nfs/dbraw/zinc/67/28/30/458672830.db2.gz YEOTVLNUBBCQNY-WOJBJXKFSA-N 2 0 348.531 3.351 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000471595308 458701686 /nfs/dbraw/zinc/70/16/86/458701686.db2.gz SQFOQRISLJVKKZ-HOTGVXAUSA-N 2 0 335.561 3.304 20 0 EGADRP Cc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2ccccc2n1 ZINC000530243302 458729160 /nfs/dbraw/zinc/72/91/60/458729160.db2.gz WXFLTFHQUJMIEG-IBGZPJMESA-N 2 0 339.483 3.134 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471839629 458740868 /nfs/dbraw/zinc/74/08/68/458740868.db2.gz YLZOMHYUGWYVMG-ICSRJNTNSA-N 2 0 327.472 3.464 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547733349 458782199 /nfs/dbraw/zinc/78/21/99/458782199.db2.gz OTWXSSDJCBFWLP-UHFFFAOYSA-N 2 0 347.503 3.350 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000495084339 458796545 /nfs/dbraw/zinc/79/65/45/458796545.db2.gz MBWPMYKXPICVPT-ZWKOTPCHSA-N 2 0 345.531 3.407 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1 ZINC000440937436 458869477 /nfs/dbraw/zinc/86/94/77/458869477.db2.gz PIMDESLBUGRMHM-VQIMIIECSA-N 2 0 343.515 3.274 20 0 EGADRP C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000495508641 458871200 /nfs/dbraw/zinc/87/12/00/458871200.db2.gz IKAJIAIZQVNUAN-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000474738545 458898815 /nfs/dbraw/zinc/89/88/15/458898815.db2.gz SSHAIBVUMXGOGR-PZJWPPBQSA-N 2 0 331.548 3.289 20 0 EGADRP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000474730489 458899563 /nfs/dbraw/zinc/89/95/63/458899563.db2.gz YWRITLDDXFUDFH-QUCCMNQESA-N 2 0 345.531 3.282 20 0 EGADRP Cc1cc(C)cc(OCCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441268417 458908801 /nfs/dbraw/zinc/90/88/01/458908801.db2.gz XQIVOHIIYMIUJV-HLAWJBBLSA-N 2 0 346.515 3.256 20 0 EGADRP CC(C)(CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000531386530 458910422 /nfs/dbraw/zinc/91/04/22/458910422.db2.gz MPTQXLVPVUVVMG-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000566433740 458932310 /nfs/dbraw/zinc/93/23/10/458932310.db2.gz VMIVDJKBIXOFLX-FXAWDEMLSA-N 2 0 349.563 3.220 20 0 EGADRP CCOC(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000495736039 458934259 /nfs/dbraw/zinc/93/42/59/458934259.db2.gz ZPZGGVRYWHNLQD-RTBURBONSA-N 2 0 345.487 3.032 20 0 EGADRP CN1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556173481 458934353 /nfs/dbraw/zinc/93/43/53/458934353.db2.gz VGWKOUVNMBYCDM-FDFHNCONSA-N 2 0 338.495 3.405 20 0 EGADRP CCOC(=O)N1CCC([NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000495736038 458934390 /nfs/dbraw/zinc/93/43/90/458934390.db2.gz ZPZGGVRYWHNLQD-RBUKOAKNSA-N 2 0 345.487 3.032 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2ccccc21 ZINC000519401806 458945044 /nfs/dbraw/zinc/94/50/44/458945044.db2.gz HCAPORSBDCZPLN-PMACEKPBSA-N 2 0 338.451 3.417 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000467194109 458957299 /nfs/dbraw/zinc/95/72/99/458957299.db2.gz GHSDHOVOINRWEO-MOPGFXCFSA-N 2 0 338.536 3.301 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495815264 458963908 /nfs/dbraw/zinc/96/39/08/458963908.db2.gz YDVBIWGUROPWKG-CGZBRXJRSA-N 2 0 339.524 3.001 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCN1CCCC[C@@H]1C ZINC000495849902 458976354 /nfs/dbraw/zinc/97/63/54/458976354.db2.gz LUDPQSCYMBXNFS-CVEARBPZSA-N 2 0 327.513 3.144 20 0 EGADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531970980 459009037 /nfs/dbraw/zinc/00/90/37/459009037.db2.gz AZTMILPHJOAFPV-HSALFYBXSA-N 2 0 343.515 3.052 20 0 EGADRP CCCCNC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476985617 459025452 /nfs/dbraw/zinc/02/54/52/459025452.db2.gz OEBAVBGXPRMMNT-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000567029111 459036880 /nfs/dbraw/zinc/03/68/80/459036880.db2.gz BTJVXNMIFGZNBX-IAGOWNOFSA-N 2 0 335.517 3.129 20 0 EGADRP C[C@H]1CC[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)c2sccc21 ZINC000567042669 459038621 /nfs/dbraw/zinc/03/86/21/459038621.db2.gz QAWCBDAMKJESDE-SMDDNHRTSA-N 2 0 331.489 3.061 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(Cl)c1 ZINC000442870699 459048072 /nfs/dbraw/zinc/04/80/72/459048072.db2.gz GWLAKOOJSCDGBL-CYBMUJFWSA-N 2 0 327.875 3.156 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000557171438 459054595 /nfs/dbraw/zinc/05/45/95/459054595.db2.gz ONLIHYRHCXSSGR-UXHICEINSA-N 2 0 339.483 3.406 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccsc2S1 ZINC000442891725 459056784 /nfs/dbraw/zinc/05/67/84/459056784.db2.gz SAKXFOYIBHNKNN-DZGCQCFKSA-N 2 0 339.574 3.289 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442922990 459061006 /nfs/dbraw/zinc/06/10/06/459061006.db2.gz LVESDXKICVFBFA-GFCCVEGCSA-N 2 0 327.266 3.019 20 0 EGADRP C[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000477931103 459068175 /nfs/dbraw/zinc/06/81/75/459068175.db2.gz YIBZZWRMZOITNH-AZUAARDMSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)([NH3+])c1nocc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000577648732 459068883 /nfs/dbraw/zinc/06/88/83/459068883.db2.gz JEDLBYTWUXRYMM-UHFFFAOYSA-N 2 0 342.443 3.107 20 0 EGADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056840 459078971 /nfs/dbraw/zinc/07/89/71/459078971.db2.gz DJYAFHQXJJACGU-HZPDHXFCSA-N 2 0 343.471 3.013 20 0 EGADRP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443058451 459079932 /nfs/dbraw/zinc/07/99/32/459079932.db2.gz AFEQYCUGCOKVGL-IAGOWNOFSA-N 2 0 339.483 3.078 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000443062687 459080607 /nfs/dbraw/zinc/08/06/07/459080607.db2.gz UZNUJZWBOHGBPJ-ZDUSSCGKSA-N 2 0 332.366 3.025 20 0 EGADRP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000443077125 459086010 /nfs/dbraw/zinc/08/60/10/459086010.db2.gz UCJGZMWEDTVLPX-HNNXBMFYSA-N 2 0 328.460 3.421 20 0 EGADRP c1ccc2c(NCC3([NH+]4CCSCC4)CCCC3)cc[nH+]c2c1 ZINC000521090765 459119656 /nfs/dbraw/zinc/11/96/56/459119656.db2.gz VIZBZSGDBQOBKW-UHFFFAOYSA-N 2 0 327.497 3.430 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000479066046 459120046 /nfs/dbraw/zinc/12/00/46/459120046.db2.gz VTGCGUARTQRDFW-IAGOWNOFSA-N 2 0 337.939 3.449 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000577955202 459123337 /nfs/dbraw/zinc/12/33/37/459123337.db2.gz HDGGUHDASFKCEO-FXAWDEMLSA-N 2 0 343.515 3.067 20 0 EGADRP Cn1cc([C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2cccc(F)c2)cn1 ZINC000567653782 459140485 /nfs/dbraw/zinc/14/04/85/459140485.db2.gz WFBCJRFQAYEYFJ-SPYBWZPUSA-N 2 0 330.451 3.003 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000479475834 459143256 /nfs/dbraw/zinc/14/32/56/459143256.db2.gz WSPXTVRSXOXBOS-FQEVSTJZSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)C(C)(C)C[NH+](C)C ZINC000567689005 459146739 /nfs/dbraw/zinc/14/67/39/459146739.db2.gz AKHNMQHIPVKHSU-XKGZKEIXSA-N 2 0 348.531 3.007 20 0 EGADRP Cc1cccc(CC[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000567760234 459162294 /nfs/dbraw/zinc/16/22/94/459162294.db2.gz OTZXQOWGILZAHB-KDURUIRLSA-N 2 0 345.531 3.144 20 0 EGADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496414476 459184339 /nfs/dbraw/zinc/18/43/39/459184339.db2.gz HZBGWIGVRGSPBC-MRXNPFEDSA-N 2 0 333.476 3.147 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CN1C(=O)OC(C)(C)C ZINC000496478033 459207753 /nfs/dbraw/zinc/20/77/53/459207753.db2.gz XOWZGSBUEUWGFD-JKSUJKDBSA-N 2 0 339.524 3.238 20 0 EGADRP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786460 459218561 /nfs/dbraw/zinc/21/85/61/459218561.db2.gz DHKKBIIRPJZUBM-UHFFFAOYSA-N 2 0 339.568 3.179 20 0 EGADRP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786800 459218848 /nfs/dbraw/zinc/21/88/48/459218848.db2.gz NJLTVAKAVWPBDF-GOSISDBHSA-N 2 0 339.568 3.370 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000480906225 459223433 /nfs/dbraw/zinc/22/34/33/459223433.db2.gz XRDGBWARDGBGHB-RTBURBONSA-N 3 0 347.547 3.400 20 0 EGADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000481188894 459238889 /nfs/dbraw/zinc/23/88/89/459238889.db2.gz LIFTUVISZVLIQK-IBGZPJMESA-N 2 0 330.516 3.224 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000481313559 459244829 /nfs/dbraw/zinc/24/48/29/459244829.db2.gz OAAQESBZGJYALZ-NRFANRHFSA-N 2 0 329.532 3.363 20 0 EGADRP Cc1ncc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000568269775 459261417 /nfs/dbraw/zinc/26/14/17/459261417.db2.gz XHTKQISHTXRMHT-QFBILLFUSA-N 2 0 326.488 3.119 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)CC1 ZINC000560265132 459318293 /nfs/dbraw/zinc/31/82/93/459318293.db2.gz FHQMKJYZMVZCFM-FQEVSTJZSA-N 2 0 344.499 3.208 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659330 459324760 /nfs/dbraw/zinc/32/47/60/459324760.db2.gz MOHFQFFVKRJBOP-OLMNPRSZSA-N 2 0 349.494 3.231 20 0 EGADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000568901181 459364446 /nfs/dbraw/zinc/36/44/46/459364446.db2.gz OMVSQQKAAUBDKL-BZUAXINKSA-N 2 0 329.410 3.168 20 0 EGADRP C[NH+](C)CCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000560521310 459364836 /nfs/dbraw/zinc/36/48/36/459364836.db2.gz BNYSKHLXRZFFJU-PWRODBHTSA-N 2 0 329.532 3.219 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000483736852 459388260 /nfs/dbraw/zinc/38/82/60/459388260.db2.gz SUBGUJQCHCLRQT-ZWKOTPCHSA-N 2 0 340.556 3.013 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000483829920 459394899 /nfs/dbraw/zinc/39/48/99/459394899.db2.gz BPMMUPWKPYNOHZ-IOASZLSFSA-N 2 0 341.293 3.146 20 0 EGADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000484294940 459411732 /nfs/dbraw/zinc/41/17/32/459411732.db2.gz CNKCRZVYNGXNCV-MNZLEMJZSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000497130118 459452225 /nfs/dbraw/zinc/45/22/25/459452225.db2.gz MULWBFWENJWMBR-HUUCEWRRSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497177391 459474175 /nfs/dbraw/zinc/47/41/75/459474175.db2.gz KDOSCYGPZOISKC-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000569591495 459478654 /nfs/dbraw/zinc/47/86/54/459478654.db2.gz BZNKLORYOYUUPV-UYAOXDASSA-N 2 0 347.547 3.307 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000486248901 459495605 /nfs/dbraw/zinc/49/56/05/459495605.db2.gz HNQARBGQWCUCEK-ZHALLVOQSA-N 2 0 345.531 3.210 20 0 EGADRP O[C@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000562061016 459507963 /nfs/dbraw/zinc/50/79/63/459507963.db2.gz DESXQROPHUZUAA-BHIFYINESA-N 2 0 342.527 3.382 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000569803323 459512888 /nfs/dbraw/zinc/51/28/88/459512888.db2.gz NCYBWFCWNQBQIG-VQTJNVASSA-N 2 0 348.531 3.287 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000562473737 459568799 /nfs/dbraw/zinc/56/87/99/459568799.db2.gz JNHJBDSNGZOEJR-UXHICEINSA-N 2 0 329.532 3.385 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C2CCC2)o1 ZINC000542670754 459581376 /nfs/dbraw/zinc/58/13/76/459581376.db2.gz KHXMCZNQMSQPMJ-AZUAARDMSA-N 2 0 333.520 3.291 20 0 EGADRP CC(C)[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000572886981 459590362 /nfs/dbraw/zinc/59/03/62/459590362.db2.gz HBOLCZLXVQLVMY-OAQYLSRUSA-N 2 0 331.548 3.384 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000572921076 459594516 /nfs/dbraw/zinc/59/45/16/459594516.db2.gz ZCOJDTVYJLDCHP-FUTAKVPZSA-N 2 0 338.442 3.411 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000562626679 459605419 /nfs/dbraw/zinc/60/54/19/459605419.db2.gz WOCUCCFVGWRODZ-QWHCGFSZSA-N 2 0 345.409 3.210 20 0 EGADRP C[C@@H](CNc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000527354657 459633957 /nfs/dbraw/zinc/63/39/57/459633957.db2.gz UVXHGKMBICAEFK-HNNXBMFYSA-N 2 0 328.435 3.188 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000543416820 459655255 /nfs/dbraw/zinc/65/52/55/459655255.db2.gz SPBVGGUNICPNJM-MHTWAQMVSA-N 2 0 328.500 3.303 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000500106888 459665130 /nfs/dbraw/zinc/66/51/30/459665130.db2.gz QHPSNVRBZHVKKU-HOJAQTOUSA-N 2 0 345.531 3.180 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)c2ccccc2)CC1 ZINC000527654031 459685817 /nfs/dbraw/zinc/68/58/17/459685817.db2.gz PLOOELGOBHWHDW-JOCHJYFZSA-N 2 0 348.494 3.246 20 0 EGADRP Clc1ccc([C@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1Cl ZINC000563155224 459726874 /nfs/dbraw/zinc/72/68/74/459726874.db2.gz NNNZCSCOIFKPEY-MRXNPFEDSA-N 2 0 328.287 3.036 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cc2)C1 ZINC000573805819 459739304 /nfs/dbraw/zinc/73/93/04/459739304.db2.gz QDNPDRSKAQYPNZ-PXNSSMCTSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@H](CC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1)[NH+]1CCCCC1 ZINC000544374297 459753417 /nfs/dbraw/zinc/75/34/17/459753417.db2.gz GQAMWMICHBJLAY-RTBURBONSA-N 2 0 345.531 3.438 20 0 EGADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000574071359 459775820 /nfs/dbraw/zinc/77/58/20/459775820.db2.gz FICZVVKMTVGZHC-WOJBJXKFSA-N 2 0 348.531 3.287 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000566005186 459791653 /nfs/dbraw/zinc/79/16/53/459791653.db2.gz WLWXPYMJGAQRFM-AZUAARDMSA-N 2 0 348.531 3.145 20 0 EGADRP Cc1cc(CN2CC[C@H]([NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017198 459794217 /nfs/dbraw/zinc/79/42/17/459794217.db2.gz ACJOVFGYGQTISW-BBRMVZONSA-N 2 0 330.863 3.417 20 0 EGADRP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160762 459804778 /nfs/dbraw/zinc/80/47/78/459804778.db2.gz BAJAGXKTGYGNLD-YMTOWFKASA-N 2 0 337.678 3.364 20 0 EGADRP CC[N@H+](C)C[C@H](O)CN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410189 459815884 /nfs/dbraw/zinc/81/58/84/459815884.db2.gz BKYKEOUSYCNVCY-RHSMWYFYSA-N 2 0 347.528 3.390 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000574472227 459822863 /nfs/dbraw/zinc/82/28/63/459822863.db2.gz WSKBZDDTUGGFML-ZDUSSCGKSA-N 2 0 325.522 3.023 20 0 EGADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000545312803 459824013 /nfs/dbraw/zinc/82/40/13/459824013.db2.gz FYPHNXYZXVALKN-HXUWFJFHSA-N 2 0 329.532 3.298 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2NCCSCc2ccccc2)CC1 ZINC000575194263 459946926 /nfs/dbraw/zinc/94/69/26/459946926.db2.gz VFJVNSOPDBAWMH-UHFFFAOYSA-N 2 0 342.512 3.179 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC000602486613 459963882 /nfs/dbraw/zinc/96/38/82/459963882.db2.gz VVNNKUSGTUTDNE-BHDDXSALSA-N 2 0 341.543 3.281 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc21 ZINC000621756298 460050951 /nfs/dbraw/zinc/05/09/51/460050951.db2.gz KLTPIQMUOXHOAE-QUCCMNQESA-N 2 0 343.515 3.442 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1C ZINC000598954473 460100406 /nfs/dbraw/zinc/10/04/06/460100406.db2.gz ADSYIKNXMWSJKN-UHFFFAOYSA-N 2 0 343.471 3.160 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000598970806 460109835 /nfs/dbraw/zinc/10/98/35/460109835.db2.gz OUZKVTGPOHPUOM-KRWDZBQOSA-N 2 0 349.519 3.266 20 0 EGADRP COC(=O)CC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000599047197 460139619 /nfs/dbraw/zinc/13/96/19/460139619.db2.gz YYAVPIGQZLRZLD-TVPLGVNVSA-N 2 0 336.520 3.495 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000576458200 460144849 /nfs/dbraw/zinc/14/48/49/460144849.db2.gz PHWHRROEKSGMLY-OAHLLOKOSA-N 2 0 339.277 3.252 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798891 460268029 /nfs/dbraw/zinc/26/80/29/460268029.db2.gz HPXXKNDJBPISLK-LAUBAEHRSA-N 2 0 342.483 3.361 20 0 EGADRP C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)[NH+]1CCCCCC1 ZINC000622522047 460272499 /nfs/dbraw/zinc/27/24/99/460272499.db2.gz HUMGUNMJAPJFKY-SFHVURJKSA-N 2 0 337.552 3.412 20 0 EGADRP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062495 460358688 /nfs/dbraw/zinc/35/86/88/460358688.db2.gz UPFJLGQEDDJKLJ-IRXDYDNUSA-N 2 0 333.520 3.263 20 0 EGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000604384691 460416612 /nfs/dbraw/zinc/41/66/12/460416612.db2.gz XULJGLOSRULDFS-HDICACEKSA-N 2 0 342.527 3.497 20 0 EGADRP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000631565331 460445713 /nfs/dbraw/zinc/44/57/13/460445713.db2.gz HYSKIDYNQPUPLB-KRWDZBQOSA-N 2 0 342.531 3.105 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ncccc32)[C@H](C)C1 ZINC000631580153 460455390 /nfs/dbraw/zinc/45/53/90/460455390.db2.gz DIGBCTWWXLPSRD-IMFGXOCKSA-N 2 0 331.504 3.186 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000634684007 460475778 /nfs/dbraw/zinc/47/57/78/460475778.db2.gz DWYRDXSEPOHRRG-QGZVFWFLSA-N 2 0 332.488 3.207 20 0 EGADRP CC(C)CN1CCO[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623340516 460498287 /nfs/dbraw/zinc/49/82/87/460498287.db2.gz LNMHVHAVDJDVFL-ZDUSSCGKSA-N 2 0 336.423 3.213 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000631667730 460501868 /nfs/dbraw/zinc/50/18/68/460501868.db2.gz RNXVQBKIVPQZKE-YVWKXTFCSA-N 2 0 338.499 3.155 20 0 EGADRP Cc1cccc([C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000623893583 460765125 /nfs/dbraw/zinc/76/51/25/460765125.db2.gz WGSVVURVSWIIQQ-CTNGQTDRSA-N 2 0 329.532 3.450 20 0 EGADRP CC[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+](CC)CC ZINC000607051141 460783874 /nfs/dbraw/zinc/78/38/74/460783874.db2.gz MQRZPMAZDDIXKX-SJLPKXTDSA-N 2 0 333.520 3.352 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000629543843 460802376 /nfs/dbraw/zinc/80/23/76/460802376.db2.gz FTRYHLQJNGHHQK-ZALBZXLWSA-N 2 0 325.859 3.165 20 0 EGADRP O[C@@H](C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCCC1 ZINC000629577883 460813356 /nfs/dbraw/zinc/81/33/56/460813356.db2.gz KMKMOHXLCQAWAS-KKUMJFAQSA-N 2 0 343.298 3.286 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@@H](C)C1 ZINC000624112749 460865572 /nfs/dbraw/zinc/86/55/72/460865572.db2.gz KCEFDTJFSWJUHW-RBUKOAKNSA-N 2 0 347.547 3.394 20 0 EGADRP CCCc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000621328241 460990095 /nfs/dbraw/zinc/99/00/95/460990095.db2.gz LROBBGSXZNRJOJ-UHFFFAOYSA-N 2 0 344.528 3.137 20 0 EGADRP Cc1ccc([C@H](C)C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000628278445 461070436 /nfs/dbraw/zinc/07/04/36/461070436.db2.gz QQNJGLGPZGELCU-LJQANCHMSA-N 2 0 329.532 3.058 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ncc(-c4cccs4)o3)C2)C1 ZINC000652349350 461141871 /nfs/dbraw/zinc/14/18/71/461141871.db2.gz LMZPKLGDXGCFQC-KFWWJZLASA-N 2 0 347.484 3.121 20 0 EGADRP O=C(c1ccccc1)C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662248598 461142683 /nfs/dbraw/zinc/14/26/83/461142683.db2.gz HBYCORLNGRZYFL-UHFFFAOYSA-N 2 0 334.463 3.427 20 0 EGADRP CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362871 461154968 /nfs/dbraw/zinc/15/49/68/461154968.db2.gz RQWGRLOPBKZNOD-NSHGMRRFSA-N 2 0 332.488 3.335 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000662281285 461163795 /nfs/dbraw/zinc/16/37/95/461163795.db2.gz MFWVSAYORKSMBZ-YFVAEKQCSA-N 2 0 328.500 3.325 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000646278514 461167544 /nfs/dbraw/zinc/16/75/44/461167544.db2.gz BKHULMPTFRODOE-HNNXBMFYSA-N 2 0 341.455 3.289 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293225 461170546 /nfs/dbraw/zinc/17/05/46/461170546.db2.gz DNWSQMVJRNLPHB-AEFFLSMTSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662298344 461175375 /nfs/dbraw/zinc/17/53/75/461175375.db2.gz VPNMIJISAYZABB-SFHVURJKSA-N 2 0 340.471 3.257 20 0 EGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297760 461176606 /nfs/dbraw/zinc/17/66/06/461176606.db2.gz RNXIJHRSVOONSP-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP CC[C@H](OCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000649566129 461179236 /nfs/dbraw/zinc/17/92/36/461179236.db2.gz CSLOTPKXYNZFBC-JSXRDJHFSA-N 2 0 346.515 3.338 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312915 461183734 /nfs/dbraw/zinc/18/37/34/461183734.db2.gz AKOFAIVYUVPZEY-CXAGYDPISA-N 2 0 337.895 3.426 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000662385924 461225143 /nfs/dbraw/zinc/22/51/43/461225143.db2.gz LDSPBNYAFPJRDO-KRWDZBQOSA-N 2 0 333.520 3.154 20 0 EGADRP O=C(c1cccc2c1C[NH2+]C2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000662398304 461232224 /nfs/dbraw/zinc/23/22/24/461232224.db2.gz UHURDUMRIXZXCF-UHFFFAOYSA-N 2 0 341.499 3.018 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633802786 461279787 /nfs/dbraw/zinc/27/97/87/461279787.db2.gz JVZFNJZSHDUUFG-YQVWRLOYSA-N 2 0 345.531 3.037 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638178100 461291661 /nfs/dbraw/zinc/29/16/61/461291661.db2.gz FMOLIXQZIMUFGN-CRSSMBPESA-N 2 0 328.500 3.364 20 0 EGADRP [NH3+]Cc1cc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc(C(F)(F)F)c1 ZINC000662558770 461295512 /nfs/dbraw/zinc/29/55/12/461295512.db2.gz KLQWHKVFAQPRPO-MRXNPFEDSA-N 2 0 349.356 3.337 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000641817374 461388086 /nfs/dbraw/zinc/38/80/86/461388086.db2.gz HHTQMMGSENLOMI-UHFFFAOYSA-N 2 0 330.476 3.020 20 0 EGADRP CC(C)Oc1cccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638369875 461392429 /nfs/dbraw/zinc/39/24/29/461392429.db2.gz VMKQUMWNGXQSTH-MRXNPFEDSA-N 2 0 334.504 3.360 20 0 EGADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)sn1 ZINC000638385472 461400359 /nfs/dbraw/zinc/40/03/59/461400359.db2.gz DKLPUJSWCVTUDL-UHFFFAOYSA-N 2 0 344.528 3.144 20 0 EGADRP CN(CC[NH+]1CCCCC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000652987633 461440766 /nfs/dbraw/zinc/44/07/66/461440766.db2.gz STORUQHCBLPUIN-UHFFFAOYSA-N 2 0 343.515 3.230 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666111382 461456596 /nfs/dbraw/zinc/45/65/96/461456596.db2.gz IBBXDQJNONTGSJ-LSTHTHJFSA-N 2 0 348.918 3.165 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)c2ccccc2Cl)CC1 ZINC000638505733 461461770 /nfs/dbraw/zinc/46/17/70/461461770.db2.gz NOSSUGNQXKRMQF-UHFFFAOYSA-N 2 0 338.923 3.443 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cccc(F)c2N)cc1 ZINC000638521112 461464682 /nfs/dbraw/zinc/46/46/82/461464682.db2.gz XSFHUDYOWHKXBU-UHFFFAOYSA-N 2 0 331.435 3.028 20 0 EGADRP CC[C@H](CC(F)F)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000659866522 461468973 /nfs/dbraw/zinc/46/89/73/461468973.db2.gz SYRQCBBHAAZWIL-YESZJQIVSA-N 2 0 331.495 3.158 20 0 EGADRP C[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000638574767 461491430 /nfs/dbraw/zinc/49/14/30/461491430.db2.gz HRGQNXRSOFCDKC-BLIXFSHQSA-N 2 0 327.516 3.427 20 0 EGADRP Cc1ccccc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000642341748 461500639 /nfs/dbraw/zinc/50/06/39/461500639.db2.gz UIKCBZWYAZKZPE-QFIPXVFZSA-N 2 0 337.511 3.463 20 0 EGADRP CCO[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000649991451 461503270 /nfs/dbraw/zinc/50/32/70/461503270.db2.gz BUNNIVGEJNUVAK-JVSBHGNQSA-N 2 0 340.552 3.260 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957852 461516186 /nfs/dbraw/zinc/51/61/86/461516186.db2.gz YIYOYQBEUAOMRJ-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc3ccccc3n2C)C[C@H](C)O1 ZINC000638680562 461532378 /nfs/dbraw/zinc/53/23/78/461532378.db2.gz DZOSFJUIQZIQLK-IRXDYDNUSA-N 2 0 329.488 3.157 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631089428 461539502 /nfs/dbraw/zinc/53/95/02/461539502.db2.gz CGWFBIVYULNKTM-UHFFFAOYSA-N 2 0 330.447 3.304 20 0 EGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653252955 461590996 /nfs/dbraw/zinc/59/09/96/461590996.db2.gz AJZXFMZTKZEFAM-INIZCTEOSA-N 2 0 347.528 3.203 20 0 EGADRP Cc1cccc2nc(CC[NH2+][C@H]3CN(Cc4ccccc4)C[C@H]3C)cn21 ZINC000647262623 461596658 /nfs/dbraw/zinc/59/66/58/461596658.db2.gz HHDQONSUKPBPRK-UTKZUKDTSA-N 2 0 348.494 3.295 20 0 EGADRP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)co2)cc1 ZINC000643061194 461599353 /nfs/dbraw/zinc/59/93/53/461599353.db2.gz IVFQAPQYULBLBU-LJQANCHMSA-N 2 0 341.455 3.314 20 0 EGADRP [NH3+]CC1(O)CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000643086429 461604140 /nfs/dbraw/zinc/60/41/40/461604140.db2.gz SWDHGSUAWMHCEG-UHFFFAOYSA-N 2 0 346.858 3.418 20 0 EGADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638853805 461618712 /nfs/dbraw/zinc/61/87/12/461618712.db2.gz KGAHJCNFNCBRPK-LPHOPBHVSA-N 2 0 331.504 3.064 20 0 EGADRP CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000650236657 461654836 /nfs/dbraw/zinc/65/48/36/461654836.db2.gz BRDXLQMXJOWNSO-LJQANCHMSA-N 2 0 346.519 3.335 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663469512 461659087 /nfs/dbraw/zinc/65/90/87/461659087.db2.gz PYFFDAHSGIVCDF-APWZRJJASA-N 2 0 346.515 3.346 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000663469602 461660197 /nfs/dbraw/zinc/66/01/97/461660197.db2.gz QYKDINSKPNDGQS-FUHWJXTLSA-N 2 0 339.487 3.040 20 0 EGADRP COC[C@@H](C[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)OC ZINC000638973288 461663587 /nfs/dbraw/zinc/66/35/87/461663587.db2.gz YXWORIWQCWRBJI-TZIWHRDSSA-N 2 0 348.531 3.176 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000669510441 461707088 /nfs/dbraw/zinc/70/70/88/461707088.db2.gz IQABIRSRBIUYHH-ZWKOTPCHSA-N 2 0 345.874 3.279 20 0 EGADRP CC[C@@H](CC(F)F)C[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660333696 461714774 /nfs/dbraw/zinc/71/47/74/461714774.db2.gz DHWNYDQAMZFICC-LPHOPBHVSA-N 2 0 340.458 3.237 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455509 461732024 /nfs/dbraw/zinc/73/20/24/461732024.db2.gz NTBZRZYKSIROQN-LXZKKBNFSA-N 2 0 341.421 3.391 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c(F)c1 ZINC000643462946 461735345 /nfs/dbraw/zinc/73/53/45/461735345.db2.gz RDYBHPCXZSDYQR-QFHJOOASSA-N 2 0 349.469 3.444 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)c2ccccc21 ZINC000643462847 461735472 /nfs/dbraw/zinc/73/54/72/461735472.db2.gz MZCLSKNQEFBMOV-FSPWUOQZSA-N 2 0 329.394 3.278 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462770 461735766 /nfs/dbraw/zinc/73/57/66/461735766.db2.gz GIPBVBIACLBMOE-XJKSGUPXSA-N 2 0 346.425 3.056 20 0 EGADRP CC[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647498560 461737810 /nfs/dbraw/zinc/73/78/10/461737810.db2.gz KDKRYPZULDTQPY-BEFAXECRSA-N 2 0 330.451 3.187 20 0 EGADRP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647498618 461737834 /nfs/dbraw/zinc/73/78/34/461737834.db2.gz LEHZFYNAVSHAEX-WMLDXEAASA-N 2 0 338.455 3.393 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC45CC[NH2+]CC5)[C@H]3C2)cc1 ZINC000643535018 461753862 /nfs/dbraw/zinc/75/38/62/461753862.db2.gz HICPTVJLXYOWQS-XSDIEEQYSA-N 3 0 339.527 3.019 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643533847 461753999 /nfs/dbraw/zinc/75/39/99/461753999.db2.gz FWRCEXRRJKZKKS-YJBOKZPZSA-N 2 0 344.503 3.353 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000643534338 461754760 /nfs/dbraw/zinc/75/47/60/461754760.db2.gz RVEPNUABNZJCKR-NHYWBVRUSA-N 2 0 339.277 3.250 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543384 461756147 /nfs/dbraw/zinc/75/61/47/461756147.db2.gz MDDMGTCGGQBEDY-WOJBJXKFSA-N 2 0 346.515 3.314 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cnn1-c1ccc(F)cc1 ZINC000643536172 461756185 /nfs/dbraw/zinc/75/61/85/461756185.db2.gz SAOMUCNIIQKHPR-ACJLOTCBSA-N 2 0 328.435 3.113 20 0 EGADRP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647542978 461757734 /nfs/dbraw/zinc/75/77/34/461757734.db2.gz FNODBJNBGBAGOU-QZTJIDSGSA-N 2 0 342.462 3.223 20 0 EGADRP c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647543608 461759898 /nfs/dbraw/zinc/75/98/98/461759898.db2.gz QEIISEANHJVYRY-WOJBJXKFSA-N 2 0 336.483 3.355 20 0 EGADRP Fc1cccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccn2)c1 ZINC000643549166 461760979 /nfs/dbraw/zinc/76/09/79/461760979.db2.gz LQBJNDCNASKXHG-CIWUYKSXSA-N 2 0 325.431 3.288 20 0 EGADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000647552309 461765014 /nfs/dbraw/zinc/76/50/14/461765014.db2.gz QLWWIUJOQXCTHB-OLZOCXBDSA-N 2 0 340.393 3.166 20 0 EGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000669688857 461767260 /nfs/dbraw/zinc/76/72/60/461767260.db2.gz HXQIPWIFIDYSAF-UHFFFAOYSA-N 2 0 335.511 3.454 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000660434468 461777379 /nfs/dbraw/zinc/77/73/79/461777379.db2.gz GRLPCASPFPFRPT-HDICACEKSA-N 2 0 344.547 3.377 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(-c3cccc(Cl)c3)no1)CC[NH2+]CC2 ZINC000643895253 461832811 /nfs/dbraw/zinc/83/28/11/461832811.db2.gz LAKYVSTVZUFGQV-CYBMUJFWSA-N 2 0 346.862 3.354 20 0 EGADRP c1ccc([C@H](CN2CCCCC2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647784556 461833436 /nfs/dbraw/zinc/83/34/36/461833436.db2.gz YFSWOZADXGCCHO-BURNTYAHSA-N 2 0 327.516 3.191 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000647784333 461833593 /nfs/dbraw/zinc/83/35/93/461833593.db2.gz RABQCTHPBKHUTM-QLFBSQMISA-N 2 0 338.879 3.225 20 0 EGADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000647786560 461834614 /nfs/dbraw/zinc/83/46/14/461834614.db2.gz ROKXACKEIGMOTM-OKZBNKHCSA-N 2 0 328.500 3.485 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000647790001 461836510 /nfs/dbraw/zinc/83/65/10/461836510.db2.gz PFFMRMXURVHVFC-AFYVEPGGSA-N 2 0 344.499 3.031 20 0 EGADRP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647792026 461836829 /nfs/dbraw/zinc/83/68/29/461836829.db2.gz ROTSDWVXFWFAIY-HDAAZOAOSA-N 2 0 328.500 3.448 20 0 EGADRP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791925 461837008 /nfs/dbraw/zinc/83/70/08/461837008.db2.gz QOAKDMBYXUPOAE-VNHYZAJKSA-N 2 0 328.378 3.062 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858021 461839397 /nfs/dbraw/zinc/83/93/97/461839397.db2.gz UBBDWVQWGRJFEH-JSGCOSHPSA-N 2 0 343.393 3.154 20 0 EGADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000647797852 461840233 /nfs/dbraw/zinc/84/02/33/461840233.db2.gz FMZGXASJRSGXCZ-SRABZTEZSA-N 2 0 342.405 3.107 20 0 EGADRP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797835 461840532 /nfs/dbraw/zinc/84/05/32/461840532.db2.gz DMNMICAAYVMVGK-JRBPQWBISA-N 2 0 326.484 3.058 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000663882563 461854847 /nfs/dbraw/zinc/85/48/47/461854847.db2.gz KXBRPXCGMKQNIX-LAUBAEHRSA-N 2 0 343.515 3.019 20 0 EGADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639329134 461862714 /nfs/dbraw/zinc/86/27/14/461862714.db2.gz GTJNCNUIFNMPNF-DYXWJJEUSA-N 2 0 327.516 3.428 20 0 EGADRP COc1ccccc1C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000647879873 461868252 /nfs/dbraw/zinc/86/82/52/461868252.db2.gz RBYFOAAKHHQGMP-FQEVSTJZSA-N 2 0 346.515 3.456 20 0 EGADRP Clc1ccc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cn2c1 ZINC000656783888 461894018 /nfs/dbraw/zinc/89/40/18/461894018.db2.gz BADXLIGBYTZZRM-HNNXBMFYSA-N 2 0 332.879 3.199 20 0 EGADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000639377670 461896346 /nfs/dbraw/zinc/89/63/46/461896346.db2.gz GCRBXEJNWCBXBP-PKOBYXMFSA-N 2 0 348.535 3.177 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788752 461897225 /nfs/dbraw/zinc/89/72/25/461897225.db2.gz BZJRLNRBDNSKRP-LBPRGKRZSA-N 2 0 343.393 3.284 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000650706813 461900493 /nfs/dbraw/zinc/90/04/93/461900493.db2.gz SXMNVZVPWDEKHM-BFYDXBDKSA-N 2 0 340.414 3.006 20 0 EGADRP c1ccc([C@@H]2C[C@@H](Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)CC[NH2+]2)cc1 ZINC000656790856 461901059 /nfs/dbraw/zinc/90/10/59/461901059.db2.gz ACCCGGGTWXLMFN-ACRUOGEOSA-N 2 0 337.467 3.253 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)C1 ZINC000650707694 461901227 /nfs/dbraw/zinc/90/12/27/461901227.db2.gz KYLYLLAGWSORIN-SBHAEUEKSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707873 461901443 /nfs/dbraw/zinc/90/14/43/461901443.db2.gz OSCXGFCCAQEPDY-BVOGOJNSSA-N 2 0 330.516 3.474 20 0 EGADRP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707770 461901954 /nfs/dbraw/zinc/90/19/54/461901954.db2.gz MVMGHJJLVSJCHL-YQQAZPJKSA-N 2 0 337.533 3.060 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000650707666 461902383 /nfs/dbraw/zinc/90/23/83/461902383.db2.gz KLHXRKLCCHQPKU-XGWLTEMNSA-N 2 0 326.843 3.197 20 0 EGADRP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000650710136 461903633 /nfs/dbraw/zinc/90/36/33/461903633.db2.gz FNEGRQASXXZPHC-ZMSDIMECSA-N 2 0 341.430 3.491 20 0 EGADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709882 461903752 /nfs/dbraw/zinc/90/37/52/461903752.db2.gz VPDFHUSUDIGGRC-FPOVZHCZSA-N 2 0 337.467 3.318 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717499 461909342 /nfs/dbraw/zinc/90/93/42/461909342.db2.gz CKDKIKBSZJLOJN-LBPRGKRZSA-N 2 0 349.837 3.445 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976103 461916508 /nfs/dbraw/zinc/91/65/08/461916508.db2.gz KCJOLKOQJIZARY-KSZLIROESA-N 2 0 329.488 3.034 20 0 EGADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976102 461916754 /nfs/dbraw/zinc/91/67/54/461916754.db2.gz KCJOLKOQJIZARY-BZSNNMDCSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974960 461917385 /nfs/dbraw/zinc/91/73/85/461917385.db2.gz DIMQDSUBFSZPDM-HZPDHXFCSA-N 2 0 349.906 3.299 20 0 EGADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976312 461918816 /nfs/dbraw/zinc/91/88/16/461918816.db2.gz MZOPVUDDQABHNF-PMPSAXMXSA-N 2 0 340.471 3.108 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[NH2+]C2(c3ccccc3OC)CC2)cc1 ZINC000647996250 461928557 /nfs/dbraw/zinc/92/85/57/461928557.db2.gz DGZIMNGTCGXCBT-INIZCTEOSA-N 2 0 326.440 3.025 20 0 EGADRP COC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000650764287 461941786 /nfs/dbraw/zinc/94/17/86/461941786.db2.gz VEODUUKTQDMROG-MRXNPFEDSA-N 2 0 330.394 3.372 20 0 EGADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CC[C@@](C)(c3ccccc3)C1)CCO2 ZINC000648072090 461970218 /nfs/dbraw/zinc/97/02/18/461970218.db2.gz KWGRMEUBERXBMV-WOJBJXKFSA-N 2 0 328.500 3.293 20 0 EGADRP CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000654045356 462009756 /nfs/dbraw/zinc/00/97/56/462009756.db2.gz RUWWSPJOHZNZRS-UHFFFAOYSA-N 2 0 346.519 3.129 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657314181 462039094 /nfs/dbraw/zinc/03/90/94/462039094.db2.gz XKJNFFFTNFIPLJ-LVCYWYKZSA-N 2 0 346.515 3.312 20 0 EGADRP Cc1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)cnc1N1CCCC[C@@H]1C ZINC000667345698 462050339 /nfs/dbraw/zinc/05/03/39/462050339.db2.gz MEAUPHCXRMUQBP-JKSUJKDBSA-N 2 0 345.491 3.032 20 0 EGADRP CCCn1nccc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000657338047 462056442 /nfs/dbraw/zinc/05/64/42/462056442.db2.gz HIDFIISUBRQJRK-UHFFFAOYSA-N 2 0 332.517 3.356 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648371321 462086193 /nfs/dbraw/zinc/08/61/93/462086193.db2.gz LBNSWXDFJAQUQZ-UHFFFAOYSA-N 2 0 337.851 3.024 20 0 EGADRP CCCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(C)c1 ZINC000657397479 462096349 /nfs/dbraw/zinc/09/63/49/462096349.db2.gz WGNLYCAJPPJCOR-UHFFFAOYSA-N 2 0 334.504 3.109 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000661129758 462117455 /nfs/dbraw/zinc/11/74/55/462117455.db2.gz ZBAZSXUBNCGJBZ-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP C[NH+]1CCC(N2CCC([NH2+]C3CCc4ccccc4CC3)CC2)CC1 ZINC000651211881 462136371 /nfs/dbraw/zinc/13/63/71/462136371.db2.gz CTDAVDUOXKVLSA-UHFFFAOYSA-N 2 0 341.543 3.082 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@H]1C ZINC000667664829 462200125 /nfs/dbraw/zinc/20/01/25/462200125.db2.gz UENOTVZBGOTSHP-IMFGXOCKSA-N 2 0 332.488 3.159 20 0 EGADRP CC(C)(C)c1n[nH]cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611655 462202869 /nfs/dbraw/zinc/20/28/69/462202869.db2.gz BGXAEQQZNHFIAV-UHFFFAOYSA-N 2 0 341.503 3.104 20 0 EGADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000657613116 462203427 /nfs/dbraw/zinc/20/34/27/462203427.db2.gz WELGOGKIEUQNHO-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP COC1(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000657613724 462203645 /nfs/dbraw/zinc/20/36/45/462203645.db2.gz PXAAKXAZOWMDOP-UHFFFAOYSA-N 2 0 331.504 3.233 20 0 EGADRP Cn1ncc(C2CC2)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000667680380 462209960 /nfs/dbraw/zinc/20/99/60/462209960.db2.gz FVJCTQIIXCOETI-UHFFFAOYSA-N 2 0 330.520 3.386 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccc(Cl)cc1 ZINC000667726288 462231837 /nfs/dbraw/zinc/23/18/37/462231837.db2.gz QLBMBSYPUNDPMT-KRWDZBQOSA-N 2 0 346.862 3.223 20 0 EGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667729538 462234589 /nfs/dbraw/zinc/23/45/89/462234589.db2.gz LUCSRVJWEIFHBW-OAHLLOKOSA-N 2 0 340.471 3.396 20 0 EGADRP CCO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000648741028 462255812 /nfs/dbraw/zinc/25/58/12/462255812.db2.gz KZZVDRYYAJXTFE-GHTZIAJQSA-N 2 0 346.515 3.408 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC000657813730 462279602 /nfs/dbraw/zinc/27/96/02/462279602.db2.gz YRBRIQVWKDLQJL-PGRDOPGGSA-N 2 0 341.543 3.361 20 0 EGADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000657823964 462283937 /nfs/dbraw/zinc/28/39/37/462283937.db2.gz MYIQEAOJFLSDDD-JOCHJYFZSA-N 2 0 343.559 3.490 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc2ccncc2s1)N1CC[NH+](C)CC1 ZINC000657832121 462288322 /nfs/dbraw/zinc/28/83/22/462288322.db2.gz ICOLYSDZCBIGTE-WBVHZDCISA-N 2 0 346.544 3.219 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000657838170 462291262 /nfs/dbraw/zinc/29/12/62/462291262.db2.gz ZHRKDGSRWDPOHD-QFBILLFUSA-N 2 0 337.939 3.277 20 0 EGADRP C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000657843944 462293958 /nfs/dbraw/zinc/29/39/58/462293958.db2.gz SXEBTOQAGUQDME-QGZVFWFLSA-N 2 0 341.503 3.221 20 0 EGADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000654588026 462297743 /nfs/dbraw/zinc/29/77/43/462297743.db2.gz KUIXGIOKDOKBAP-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651678514 462300558 /nfs/dbraw/zinc/30/05/58/462300558.db2.gz SOGHWZRIGFXKTP-QGZVFWFLSA-N 2 0 327.476 3.012 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651679380 462300758 /nfs/dbraw/zinc/30/07/58/462300758.db2.gz ZEAAZLQSRGDSEN-QZTJIDSGSA-N 2 0 341.503 3.115 20 0 EGADRP C[C@H](NC[C@H](O)C[NH+](C)C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657876053 462304851 /nfs/dbraw/zinc/30/48/51/462304851.db2.gz TZYVQARWHGPLPB-ZWOKBUDYSA-N 2 0 342.483 3.400 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657879498 462306140 /nfs/dbraw/zinc/30/61/40/462306140.db2.gz OKRFAUKLMGMHIY-OALUTQOASA-N 2 0 349.950 3.419 20 0 EGADRP CN1CC[C@@H]([NH2+]CCN2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385448 462308764 /nfs/dbraw/zinc/30/87/64/462308764.db2.gz KLBXIWHYLRUYFS-PKTZIBPZSA-N 2 0 349.522 3.470 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651758895 462327206 /nfs/dbraw/zinc/32/72/06/462327206.db2.gz ROQNEXOUCWBZRA-OAQYLSRUSA-N 2 0 336.479 3.032 20 0 EGADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000658004216 462344182 /nfs/dbraw/zinc/34/41/82/462344182.db2.gz WQROKKSEFYZMMR-SFHVURJKSA-N 2 0 337.939 3.277 20 0 EGADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000661645428 462345763 /nfs/dbraw/zinc/34/57/63/462345763.db2.gz RBKGYKMYAUMFOH-RTWAWAEBSA-N 2 0 329.532 3.110 20 0 EGADRP CSc1ccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000645508847 462352331 /nfs/dbraw/zinc/35/23/31/462352331.db2.gz QHAVHCBYPWJRLA-HNAYVOBHSA-N 2 0 335.561 3.331 20 0 EGADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000665304265 462393372 /nfs/dbraw/zinc/39/33/72/462393372.db2.gz FHKNFCYBGFJXGF-HXUWFJFHSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@H](CC1CCOCC1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165783 462415145 /nfs/dbraw/zinc/41/51/45/462415145.db2.gz LUFZGBBQCSNVTA-QGZVFWFLSA-N 2 0 331.504 3.088 20 0 EGADRP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658212363 462431654 /nfs/dbraw/zinc/43/16/54/462431654.db2.gz HOPGBMLKJXIFTH-HNNXBMFYSA-N 2 0 342.487 3.089 20 0 EGADRP c1ccc2c(c1)ccnc2NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000527865329 478553004 /nfs/dbraw/zinc/55/30/04/478553004.db2.gz GGVGMCILHJNWMU-UHFFFAOYSA-N 2 0 347.466 3.254 20 0 EGADRP COc1ccccc1C[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178034282 534117064 /nfs/dbraw/zinc/11/70/64/534117064.db2.gz DNYAXPBYUZKVRQ-OKZBNKHCSA-N 2 0 334.504 3.105 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1C ZINC000158470370 534225969 /nfs/dbraw/zinc/22/59/69/534225969.db2.gz PXWNMLVQRNCRRG-SFHVURJKSA-N 2 0 338.499 3.301 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181250096 534448001 /nfs/dbraw/zinc/44/80/01/534448001.db2.gz JCGUMFGZXSQZQG-NPSOMJIGSA-N 2 0 339.886 3.376 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932882 534448111 /nfs/dbraw/zinc/44/81/11/534448111.db2.gz ARUFQGYLPKFYLC-LQWHRVPQSA-N 3 0 329.532 3.491 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)C3CC[NH+](C)CC3)cc2)CC1 ZINC000174661562 528255009 /nfs/dbraw/zinc/25/50/09/528255009.db2.gz BCBRLVKWAQZDGR-UHFFFAOYSA-N 2 0 329.488 3.199 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2n1)N1CC[NH+](C)CC1 ZINC000177850966 528464996 /nfs/dbraw/zinc/46/49/96/528464996.db2.gz ZKRZKMATNZWQAI-DYESRHJHSA-N 2 0 340.515 3.157 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000177884107 528724815 /nfs/dbraw/zinc/72/48/15/528724815.db2.gz ZTKJTOGUOKQDHY-KRWDZBQOSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000191493016 529042208 /nfs/dbraw/zinc/04/22/08/529042208.db2.gz UNJNAQZVQFGOEH-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000154467633 529143410 /nfs/dbraw/zinc/14/34/10/529143410.db2.gz YNRKKXXEOPMYMD-FQEVSTJZSA-N 2 0 345.531 3.216 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166147167 529143672 /nfs/dbraw/zinc/14/36/72/529143672.db2.gz KXOVCTBQBGGOAA-NRFANRHFSA-N 2 0 329.532 3.380 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000154258079 529145192 /nfs/dbraw/zinc/14/51/92/529145192.db2.gz MYPHVXZBFIXXFS-OAHLLOKOSA-N 2 0 339.524 3.226 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000265134587 535215475 /nfs/dbraw/zinc/21/54/75/535215475.db2.gz JYEIUQMKIFMITN-OAQYLSRUSA-N 2 0 348.531 3.008 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000344833693 535754764 /nfs/dbraw/zinc/75/47/64/535754764.db2.gz ZMSJDZBFFJKNDS-IBGZPJMESA-N 2 0 343.515 3.020 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000179826497 538548052 /nfs/dbraw/zinc/54/80/52/538548052.db2.gz TWQIEEXAGWIBLK-UHFFFAOYSA-N 2 0 332.517 3.437 20 0 EGADRP Cc1ncsc1CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109715 546583522 /nfs/dbraw/zinc/58/35/22/546583522.db2.gz OHMXLEIVRKBNDR-GOSISDBHSA-N 2 0 329.513 3.448 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000120014418 546711462 /nfs/dbraw/zinc/71/14/62/546711462.db2.gz UUDPCZMDTIBQNM-ZDUSSCGKSA-N 2 0 330.394 3.448 20 0 EGADRP CCN(CC)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000151731710 546858641 /nfs/dbraw/zinc/85/86/41/546858641.db2.gz LAXTXTTWHCUADT-NQIIRXRSSA-N 2 0 331.548 3.259 20 0 EGADRP COc1ccc(C2(C[NH2+][C@@H](C)C3CC[NH+](C)CC3)CCOCC2)cc1 ZINC000152685410 546873024 /nfs/dbraw/zinc/87/30/24/546873024.db2.gz VVSSAEAVDBTNQL-KRWDZBQOSA-N 2 0 346.515 3.063 20 0 EGADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000153395929 546880236 /nfs/dbraw/zinc/88/02/36/546880236.db2.gz KLERXPWKXGNGJW-YLJYHZDGSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@@H](CCN1CCOC2(CCCC2)C1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000155090845 546898982 /nfs/dbraw/zinc/89/89/82/546898982.db2.gz WTZNTIJHBCFABH-SFHVURJKSA-N 2 0 336.520 3.055 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166204042 546987280 /nfs/dbraw/zinc/98/72/80/546987280.db2.gz WCEIEVVERXXTSA-NHCUHLMSSA-N 3 0 327.516 3.176 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000166293577 546988423 /nfs/dbraw/zinc/98/84/23/546988423.db2.gz QOWCPWLPAZFRQM-RBUKOAKNSA-N 2 0 328.500 3.260 20 0 EGADRP C[C@@H]1CN(CCC[NH2+][C@@H]2CCSc3c(F)cccc32)C[C@H](C)O1 ZINC000178482545 547037723 /nfs/dbraw/zinc/03/77/23/547037723.db2.gz YJMCNECQUTXCHV-JKIFEVAISA-N 2 0 338.492 3.452 20 0 EGADRP COc1cccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1F ZINC000192668059 547203483 /nfs/dbraw/zinc/20/34/83/547203483.db2.gz VMWCTDXNVZVGBH-UHFFFAOYSA-N 2 0 332.419 3.065 20 0 EGADRP CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CC[NH+](CC)CC1 ZINC000197855418 547234506 /nfs/dbraw/zinc/23/45/06/547234506.db2.gz ISYZVNUSUBPCKL-UHFFFAOYSA-N 2 0 341.455 3.170 20 0 EGADRP CC(C)CO[C@@H]1CC[NH+]([C@H](C)CC[N@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000245677439 547267223 /nfs/dbraw/zinc/26/72/23/547267223.db2.gz IMMFQCDSRPKDST-VAMGGRTRSA-N 2 0 340.552 3.259 20 0 EGADRP c1cc([C@@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286011112 547390630 /nfs/dbraw/zinc/39/06/30/547390630.db2.gz GWXZJGFGNDKVIS-OALUTQOASA-N 2 0 342.491 3.277 20 0 EGADRP C[C@@H]([NH2+]CC1(CO)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310119083 547461817 /nfs/dbraw/zinc/46/18/17/547461817.db2.gz HRKNMGGMVCGWFM-QUCCMNQESA-N 2 0 330.516 3.429 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000311656132 547463191 /nfs/dbraw/zinc/46/31/91/547463191.db2.gz DUPSASVMGHTKNC-UHFFFAOYSA-N 2 0 325.294 3.456 20 0 EGADRP Cc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000339253882 547572285 /nfs/dbraw/zinc/57/22/85/547572285.db2.gz FLYNXPRFRYCAOS-WMZOPIPTSA-N 2 0 347.503 3.106 20 0 EGADRP COC[C@@H]1CCCC[N@H+](CC[C@H](C)[NH+]2CCCC[C@H](COC)C2)C1 ZINC000342573021 547596106 /nfs/dbraw/zinc/59/61/06/547596106.db2.gz UBBBDRDTJUMPEO-ZCNNSNEGSA-N 2 0 340.552 3.262 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000414974324 547862787 /nfs/dbraw/zinc/86/27/87/547862787.db2.gz JTLSHGHBISNOQA-MJGOQNOKSA-N 2 0 344.503 3.106 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474924259 547954993 /nfs/dbraw/zinc/95/49/93/547954993.db2.gz IMEKPBQCAHKCMH-NJINODPHSA-N 2 0 349.485 3.359 20 0 EGADRP C[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)(C)C ZINC000670267183 548194250 /nfs/dbraw/zinc/19/42/50/548194250.db2.gz UXCPONJQFCJZKZ-QFBILLFUSA-N 2 0 345.531 3.156 20 0 EGADRP C[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)(C)C ZINC000670267182 548194429 /nfs/dbraw/zinc/19/44/29/548194429.db2.gz UXCPONJQFCJZKZ-LPHOPBHVSA-N 2 0 345.531 3.156 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000671295969 548274518 /nfs/dbraw/zinc/27/45/18/548274518.db2.gz GERTVUGGIZWBQI-NRFANRHFSA-N 2 0 330.516 3.407 20 0 EGADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671302446 548275100 /nfs/dbraw/zinc/27/51/00/548275100.db2.gz XDTREJDMSKEZBL-CQSZACIVSA-N 2 0 328.460 3.042 20 0 EGADRP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)C1CC[NH+](C)CC1 ZINC000675765734 548976315 /nfs/dbraw/zinc/97/63/15/548976315.db2.gz OQKUSQIPCRFOBN-MRXNPFEDSA-N 2 0 338.499 3.181 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)n1 ZINC000676056453 549031142 /nfs/dbraw/zinc/03/11/42/549031142.db2.gz WSUPXVGVNBJRJL-INIZCTEOSA-N 2 0 342.487 3.275 20 0 EGADRP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676840034 549165177 /nfs/dbraw/zinc/16/51/77/549165177.db2.gz WFUPOIAFMFVVGN-HZSPNIEDSA-N 2 0 325.522 3.300 20 0 EGADRP CCCc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc2[nH+]1 ZINC000676877259 549170615 /nfs/dbraw/zinc/17/06/15/549170615.db2.gz WWBKSQLFNUNUNO-TZIWHRDSSA-N 2 0 339.483 3.223 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678133267 549405699 /nfs/dbraw/zinc/40/56/99/549405699.db2.gz ZLDSEZUMDIPLGM-HXUWFJFHSA-N 2 0 345.531 3.077 20 0 EGADRP CCc1oc2ccccc2c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678258869 549448487 /nfs/dbraw/zinc/44/84/87/549448487.db2.gz QDYIBTQKUOQRDR-QGZVFWFLSA-N 2 0 341.499 3.207 20 0 EGADRP CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000678276382 549455600 /nfs/dbraw/zinc/45/56/00/549455600.db2.gz HHDBCQWQOVITLX-RBUKOAKNSA-N 2 0 334.504 3.262 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(-c2ccccc2)no1 ZINC000678609079 549530888 /nfs/dbraw/zinc/53/08/88/549530888.db2.gz CIEAYBGONLGCPO-PVAVHDDUSA-N 2 0 326.444 3.057 20 0 EGADRP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719582 549547124 /nfs/dbraw/zinc/54/71/24/549547124.db2.gz NPSAYYNIFXBRQD-JOCHJYFZSA-N 2 0 343.559 3.485 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000678766562 549556243 /nfs/dbraw/zinc/55/62/43/549556243.db2.gz MLOKTJRAYSJXCA-YYWHXJBOSA-N 2 0 329.532 3.172 20 0 EGADRP CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000679028600 549619730 /nfs/dbraw/zinc/61/97/30/549619730.db2.gz VGMYQZBLTZKERT-QUCCMNQESA-N 2 0 334.504 3.310 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(CO)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679625919 549742489 /nfs/dbraw/zinc/74/24/89/549742489.db2.gz HJSOYRRAMTYSST-XMSQKQJNSA-N 2 0 338.495 3.222 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000680464380 549868256 /nfs/dbraw/zinc/86/82/56/549868256.db2.gz GKOGNHAAWKFECT-AXMIXWAOSA-N 2 0 345.575 3.349 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000682533925 550112325 /nfs/dbraw/zinc/11/23/25/550112325.db2.gz NTLHOWDUWUHBMO-WGMWDUQUSA-N 2 0 340.515 3.099 20 0 EGADRP CC[C@H](C)c1nnc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000683078770 550187587 /nfs/dbraw/zinc/18/75/87/550187587.db2.gz IJWDCLZRMIPRTG-GJZGRUSLSA-N 2 0 345.491 3.109 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000684113304 550292693 /nfs/dbraw/zinc/29/26/93/550292693.db2.gz CHHFXASVMQIJPO-WMZOPIPTSA-N 2 0 331.504 3.422 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000684953454 550387691 /nfs/dbraw/zinc/38/76/91/550387691.db2.gz GAQGDDOKWJQPEE-OALUTQOASA-N 2 0 344.547 3.032 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1 ZINC000685044921 550396349 /nfs/dbraw/zinc/39/63/49/550396349.db2.gz KIDHVJUNHNYTEI-UHFFFAOYSA-N 2 0 337.467 3.441 20 0 EGADRP C[N@H+](C/C=C\c1ccc(F)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457198 550418766 /nfs/dbraw/zinc/41/87/66/550418766.db2.gz JNXOVAASSYORHQ-ZRHASKPBSA-N 2 0 349.469 3.078 20 0 EGADRP Cc1ccc(-c2nc(CN(CC[NH+](C)C)CC[NH+](C)C)cs2)cc1 ZINC000685457016 550419155 /nfs/dbraw/zinc/41/91/55/550419155.db2.gz ZXMQCGACUCRFHE-UHFFFAOYSA-N 2 0 346.544 3.044 20 0 EGADRP Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000685632904 550434661 /nfs/dbraw/zinc/43/46/61/550434661.db2.gz CFAOALIDJZVCKY-IBGZPJMESA-N 2 0 340.467 3.029 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000735658302 575699167 /nfs/dbraw/zinc/69/91/67/575699167.db2.gz AVZXJMHIMRFTIR-UHFFFAOYSA-N 2 0 349.519 3.215 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCS2 ZINC000681738549 576178856 /nfs/dbraw/zinc/17/88/56/576178856.db2.gz BJHZDNDLRIXDEW-SFHVURJKSA-N 2 0 347.572 3.456 20 0 EGADRP c1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)cc(-c2nn[nH]n2)c1 ZINC000738411728 576322499 /nfs/dbraw/zinc/32/24/99/576322499.db2.gz XSVOGETYPQQYHW-UHFFFAOYSA-N 2 0 342.491 3.003 20 0 EGADRP C[NH+]1CCC(CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000305892933 1297065795 /nfs/dbraw/zinc/06/57/95/1297065795.db2.gz YBFTVELBZMWGOI-UHFFFAOYSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000693733557 1298151132 /nfs/dbraw/zinc/15/11/32/1298151132.db2.gz AKYSXEMJIJOQDU-GHRYLNIYSA-N 2 0 341.543 3.406 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cc12 ZINC000751151800 1299517158 /nfs/dbraw/zinc/51/71/58/1299517158.db2.gz FHKQRAYOLXZMJC-UHFFFAOYSA-N 2 0 341.503 3.163 20 0 EGADRP NC(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000045089716 1291505402 /nfs/dbraw/zinc/50/54/02/1291505402.db2.gz MZERVDVRDHNBNU-UHFFFAOYSA-N 2 0 337.467 3.061 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cscn3)CC2)c1 ZINC000060523685 1291927512 /nfs/dbraw/zinc/92/75/12/1291927512.db2.gz SDOYHUFKXFFGAD-UHFFFAOYSA-N 2 0 344.528 3.144 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccccc3F)cc2)CC1 ZINC000061070174 1291959241 /nfs/dbraw/zinc/95/92/41/1291959241.db2.gz XGCGUVWTFPNAMR-UHFFFAOYSA-N 2 0 341.474 3.253 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nccc1-c1ccncc1 ZINC000067094941 1292147134 /nfs/dbraw/zinc/14/71/34/1292147134.db2.gz USMDUXJQUAZBKT-UHFFFAOYSA-N 2 0 349.482 3.486 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000069711444 1292249935 /nfs/dbraw/zinc/24/99/35/1292249935.db2.gz VEVPPHFRFSAMFR-UHFFFAOYSA-N 2 0 328.456 3.316 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC000074678813 1292360051 /nfs/dbraw/zinc/36/00/51/1292360051.db2.gz QEUQFSBTMQMXCN-GOSISDBHSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000828391848 1292460883 /nfs/dbraw/zinc/46/08/83/1292460883.db2.gz BZZHEPMDXCBAAT-MRXNPFEDSA-N 2 0 348.362 3.061 20 0 EGADRP Cc1cccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1C ZINC000080373692 1292597573 /nfs/dbraw/zinc/59/75/73/1292597573.db2.gz KRUUGGQHHWVOBR-UHFFFAOYSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000080401764 1292599972 /nfs/dbraw/zinc/59/99/72/1292599972.db2.gz RIUOAYMIEUETGH-WMZOPIPTSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000097465635 1292961364 /nfs/dbraw/zinc/96/13/64/1292961364.db2.gz WIJIFZWTHITSHN-GOSISDBHSA-N 2 0 334.467 3.457 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000105459349 1293040157 /nfs/dbraw/zinc/04/01/57/1293040157.db2.gz KRFCXALHOJEKIA-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000108428026 1293079852 /nfs/dbraw/zinc/07/98/52/1293079852.db2.gz RDRWEEXHMLXRFH-GOSISDBHSA-N 2 0 334.467 3.457 20 0 EGADRP CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)OCCO1 ZINC000834764950 1293143797 /nfs/dbraw/zinc/14/37/97/1293143797.db2.gz JKBUJSKOXLGIGB-VAMGGRTRSA-N 2 0 344.499 3.172 20 0 EGADRP Cc1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000123617080 1293449703 /nfs/dbraw/zinc/44/97/03/1293449703.db2.gz LKPXCKUDPFZSEI-GOSISDBHSA-N 2 0 329.513 3.414 20 0 EGADRP CCOC(C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OCC ZINC000124681859 1293482496 /nfs/dbraw/zinc/48/24/96/1293482496.db2.gz GOMOZOWCPVFJHA-KRWDZBQOSA-N 2 0 326.525 3.362 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CN2CCSC2=O)CC1 ZINC000125514868 1293509666 /nfs/dbraw/zinc/50/96/66/1293509666.db2.gz CUGMBRDRIRZPES-OAHLLOKOSA-N 2 0 325.522 3.089 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000125671717 1293514728 /nfs/dbraw/zinc/51/47/28/1293514728.db2.gz VLOCLMSQXGYXES-INIZCTEOSA-N 2 0 346.393 3.081 20 0 EGADRP CC(C)Oc1cccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000126816587 1293545171 /nfs/dbraw/zinc/54/51/71/1293545171.db2.gz FTBIMNGCYKIYGO-HDICACEKSA-N 2 0 334.504 3.453 20 0 EGADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129951535 1293639930 /nfs/dbraw/zinc/63/99/30/1293639930.db2.gz DZMAKTCVRQWIRW-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000131354824 1293687513 /nfs/dbraw/zinc/68/75/13/1293687513.db2.gz UVDHWVLRKQLPDF-ZBEGNZNMSA-N 2 0 331.287 3.347 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000136308915 1293814646 /nfs/dbraw/zinc/81/46/46/1293814646.db2.gz PXFNBSLDHOJMLA-OAHLLOKOSA-N 2 0 325.522 3.247 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000150975081 1293900752 /nfs/dbraw/zinc/90/07/52/1293900752.db2.gz XTEONLDGQIZZCG-KRWDZBQOSA-N 2 0 330.472 3.295 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCCCC[NH3+] ZINC000155597879 1294105795 /nfs/dbraw/zinc/10/57/95/1294105795.db2.gz KOHLINCIGBTNKB-UHFFFAOYSA-N 2 0 335.517 3.001 20 0 EGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCCCC[NH3+] ZINC000155599963 1294106073 /nfs/dbraw/zinc/10/60/73/1294106073.db2.gz VMRNCYJJLMJPPP-UHFFFAOYSA-N 2 0 335.517 3.001 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000155806474 1294113903 /nfs/dbraw/zinc/11/39/03/1294113903.db2.gz DFQDYBPSKCMCOL-INIZCTEOSA-N 2 0 342.462 3.132 20 0 EGADRP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160224857 1294263165 /nfs/dbraw/zinc/26/31/65/1294263165.db2.gz JQYPQHHKFNDRSR-IRXDYDNUSA-N 2 0 340.515 3.496 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166798763 1294364091 /nfs/dbraw/zinc/36/40/91/1294364091.db2.gz FKCXNJVAPOENSZ-YLFCFFPRSA-N 2 0 337.508 3.039 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000168512917 1294367853 /nfs/dbraw/zinc/36/78/53/1294367853.db2.gz UYHVGQPFFFMGHO-FFGOWVMKSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@@H](NC(=[NH2+])NCC[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000170907886 1294386510 /nfs/dbraw/zinc/38/65/10/1294386510.db2.gz AOJIUMWWKSCEEV-LLVKDONJSA-N 2 0 329.275 3.055 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000173343736 1294460217 /nfs/dbraw/zinc/46/02/17/1294460217.db2.gz SRFKIOPTNFLZIG-IRXDYDNUSA-N 2 0 339.524 3.145 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)C)cc1C[NH+]1CCCCC1 ZINC000182976956 1295089484 /nfs/dbraw/zinc/08/94/84/1295089484.db2.gz MASLJVOLUMCDHH-LPHOPBHVSA-N 2 0 334.504 3.349 20 0 EGADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000870853622 1296113956 /nfs/dbraw/zinc/11/39/56/1296113956.db2.gz XGAPNTOPBFXQMP-RVKKMQEKSA-N 2 0 349.906 3.111 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[NH2+]CC1CC1 ZINC000870868019 1296121383 /nfs/dbraw/zinc/12/13/83/1296121383.db2.gz YWOQVNRLTFJMES-KRWDZBQOSA-N 2 0 343.515 3.067 20 0 EGADRP [NH3+]CCCCCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000237958197 1296272172 /nfs/dbraw/zinc/27/21/72/1296272172.db2.gz GQWPQKVLBKIBNQ-UHFFFAOYSA-N 2 0 339.483 3.003 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)[C@@H](C)C1 ZINC000246858100 1296373800 /nfs/dbraw/zinc/37/38/00/1296373800.db2.gz CJAWPYVOGDBSJK-LAUBAEHRSA-N 3 0 344.547 3.041 20 0 EGADRP CCOC(C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)OCC ZINC000249370324 1296442090 /nfs/dbraw/zinc/44/20/90/1296442090.db2.gz OXQIDVCKRCDJIB-YRWFTTLQSA-N 2 0 334.504 3.132 20 0 EGADRP COc1cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261667467 1296597476 /nfs/dbraw/zinc/59/74/76/1296597476.db2.gz IVZYPNVWOJSDIX-MOPGFXCFSA-N 2 0 340.467 3.187 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000310016430 1297082290 /nfs/dbraw/zinc/08/22/90/1297082290.db2.gz RTZXSUKIEZRUQW-VVLHAWIVSA-N 2 0 337.508 3.039 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000311199343 1297106679 /nfs/dbraw/zinc/10/66/79/1297106679.db2.gz JRUVVWLNRSVPTO-UZLBHIALSA-N 2 0 346.421 3.110 20 0 EGADRP CCOc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1OC(F)F ZINC000320785624 1297171958 /nfs/dbraw/zinc/17/19/58/1297171958.db2.gz NBBSIFNXYAJVAJ-UHFFFAOYSA-N 2 0 328.403 3.388 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(CC[NH3+])cc2)c1 ZINC000324933426 1297218183 /nfs/dbraw/zinc/21/81/83/1297218183.db2.gz OCVRSIMFEMCCNX-UHFFFAOYSA-N 2 0 325.456 3.282 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@H](n2cncn2)C1 ZINC000340471164 1297313698 /nfs/dbraw/zinc/31/36/98/1297313698.db2.gz CETWIQPAEAYWQF-AKHDSKFASA-N 2 0 333.524 3.110 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](n2cncn2)C1 ZINC000340535633 1297314508 /nfs/dbraw/zinc/31/45/08/1297314508.db2.gz VNZRPNJLKAWSDY-RSPOEFSDSA-N 2 0 345.535 3.395 20 0 EGADRP CCN(CC)c1ncc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232322 1297375382 /nfs/dbraw/zinc/37/53/82/1297375382.db2.gz FGXQNDJXXLJSHZ-INIZCTEOSA-N 2 0 336.549 3.391 20 0 EGADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000873239318 1297382213 /nfs/dbraw/zinc/38/22/13/1297382213.db2.gz SRPHCPYXTUMDFL-BZSNNMDCSA-N 2 0 345.487 3.147 20 0 EGADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc(Br)cc1F ZINC000873260835 1297394105 /nfs/dbraw/zinc/39/41/05/1297394105.db2.gz IOLLAHYCNIPCKE-DJIHRAIXSA-N 2 0 342.256 3.164 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000873259704 1297395089 /nfs/dbraw/zinc/39/50/89/1297395089.db2.gz JYNLISSEUNPJLZ-JONQDZQNSA-N 2 0 349.906 3.486 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873263547 1297396260 /nfs/dbraw/zinc/39/62/60/1297396260.db2.gz JIUMCDODCZBRPN-BVJIBDCISA-N 3 0 327.516 3.017 20 0 EGADRP CCC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC)cc1 ZINC000873289354 1297411283 /nfs/dbraw/zinc/41/12/83/1297411283.db2.gz HYGMHXZIKRCZOW-RTBURBONSA-N 2 0 332.488 3.285 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1nccc2ccccc21 ZINC000873290879 1297412559 /nfs/dbraw/zinc/41/25/59/1297412559.db2.gz BMMUASICNYINMN-NVXWUHKLSA-N 2 0 325.456 3.044 20 0 EGADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290945 1297412615 /nfs/dbraw/zinc/41/26/15/1297412615.db2.gz CKWLFWDBKWLKTA-YOEHRIQHSA-N 2 0 338.442 3.034 20 0 EGADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290943 1297412628 /nfs/dbraw/zinc/41/26/28/1297412628.db2.gz CKWLFWDBKWLKTA-RHSMWYFYSA-N 2 0 338.442 3.034 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000873291578 1297412915 /nfs/dbraw/zinc/41/29/15/1297412915.db2.gz KOYLFTPZLVNBQB-UXHICEINSA-N 2 0 328.500 3.064 20 0 EGADRP C[C@H](NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873292289 1297414196 /nfs/dbraw/zinc/41/41/96/1297414196.db2.gz AGGYDAZVGWZXKB-TZYHBYERSA-N 2 0 349.522 3.201 20 0 EGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291857 1297414228 /nfs/dbraw/zinc/41/42/28/1297414228.db2.gz YOMDCDSUYMFLIZ-UKRRQHHQSA-N 2 0 338.879 3.158 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1C ZINC000873293772 1297415213 /nfs/dbraw/zinc/41/52/13/1297415213.db2.gz PDOYLXPPIDKENG-DLBZAZTESA-N 2 0 332.488 3.121 20 0 EGADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000379621069 1297535394 /nfs/dbraw/zinc/53/53/94/1297535394.db2.gz DWUJDHSECWWRAP-LAUBAEHRSA-N 2 0 337.467 3.092 20 0 EGADRP C[C@H](CCNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000379664711 1297539260 /nfs/dbraw/zinc/53/92/60/1297539260.db2.gz QAJYWRGNYMQOBB-YLJYHZDGSA-N 2 0 345.531 3.311 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000379899365 1297542476 /nfs/dbraw/zinc/54/24/76/1297542476.db2.gz IFSFEPGSOJFWOX-IXDOHACOSA-N 2 0 339.524 3.286 20 0 EGADRP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000386303252 1297588973 /nfs/dbraw/zinc/58/89/73/1297588973.db2.gz FZHNEBMTRUHXSC-WIYYLYMNSA-N 2 0 342.458 3.361 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405248649 1297764087 /nfs/dbraw/zinc/76/40/87/1297764087.db2.gz IQDUIYOFVVJYRX-QYZOEREBSA-N 2 0 327.516 3.147 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000431038513 1297821040 /nfs/dbraw/zinc/82/10/40/1297821040.db2.gz CXKFTDBQMYBFLE-VQTJNVASSA-N 2 0 343.515 3.195 20 0 EGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000874244896 1297827721 /nfs/dbraw/zinc/82/77/21/1297827721.db2.gz QMTGGKMDUQSQEQ-HXUWFJFHSA-N 2 0 347.547 3.164 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000687673221 1298119413 /nfs/dbraw/zinc/11/94/13/1298119413.db2.gz RHLXTZMRMRYCQJ-ULQDDVLXSA-N 2 0 339.524 3.144 20 0 EGADRP COC(=O)[C@H](C)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000691876228 1298139516 /nfs/dbraw/zinc/13/95/16/1298139516.db2.gz PISSLKHKIQCQQZ-GOSISDBHSA-N 2 0 344.499 3.174 20 0 EGADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000695903736 1298162000 /nfs/dbraw/zinc/16/20/00/1298162000.db2.gz HZGLOSKPZHGGJN-HNNXBMFYSA-N 2 0 335.492 3.141 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000699599769 1298170864 /nfs/dbraw/zinc/17/08/64/1298170864.db2.gz HYIVYEZEEGUAHI-UHFFFAOYSA-N 2 0 339.524 3.288 20 0 EGADRP C[C@@H](CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC000700506786 1298176424 /nfs/dbraw/zinc/17/64/24/1298176424.db2.gz ARBZYIHPRGNLBT-BLLLJJGKSA-N 2 0 325.294 3.236 20 0 EGADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000704493326 1298207938 /nfs/dbraw/zinc/20/79/38/1298207938.db2.gz FBFARANFGONLLD-MOPGFXCFSA-N 2 0 345.531 3.167 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000708588441 1298242347 /nfs/dbraw/zinc/24/23/47/1298242347.db2.gz UMDGXZZFRQJCPT-PXNSSMCTSA-N 2 0 334.467 3.192 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000715560099 1298279923 /nfs/dbraw/zinc/27/99/23/1298279923.db2.gz WSDMBBFUQFUBEP-SSHXOBKSSA-N 2 0 339.524 3.141 20 0 EGADRP C[C@H]1[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000715561080 1298281948 /nfs/dbraw/zinc/28/19/48/1298281948.db2.gz GZZHRJQCUYICOM-OTBWCIGPSA-N 2 0 339.524 3.237 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12CCC[C@@H]1OCC2 ZINC000720142227 1298325184 /nfs/dbraw/zinc/32/51/84/1298325184.db2.gz KDIBNBTVQAVFFD-BVOGOJNSSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720814061 1298329121 /nfs/dbraw/zinc/32/91/21/1298329121.db2.gz DLQKXGFFFMTJFI-GVVDHYSOSA-N 2 0 328.500 3.444 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724025120 1298342668 /nfs/dbraw/zinc/34/26/68/1298342668.db2.gz DHGBDKSBHZJHDU-SJORKVTESA-N 2 0 339.524 3.001 20 0 EGADRP CN(C)c1ccc(N2CCC([NH2+]Cc3cccc(F)c3N)CC2)cc1 ZINC000877066116 1299140412 /nfs/dbraw/zinc/14/04/12/1299140412.db2.gz CWTYRYVTGLZGNI-UHFFFAOYSA-N 2 0 342.462 3.233 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877450243 1299309644 /nfs/dbraw/zinc/30/96/44/1299309644.db2.gz FEXLFQXHYHMPGT-NFBUACBFSA-N 2 0 335.536 3.040 20 0 EGADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877450289 1299310075 /nfs/dbraw/zinc/31/00/75/1299310075.db2.gz FPIAUOPGDMHMES-AHRSYUTCSA-N 2 0 343.515 3.141 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877452991 1299311466 /nfs/dbraw/zinc/31/14/66/1299311466.db2.gz UYFWGQIWMBNCKR-MJQMVNBJSA-N 2 0 335.536 3.005 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@H]32)CC1 ZINC000749955608 1299313003 /nfs/dbraw/zinc/31/30/03/1299313003.db2.gz SMTLQJSVPMLFEH-RTBURBONSA-N 2 0 335.536 3.179 20 0 EGADRP CCc1cccc2cc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)oc21 ZINC000877746696 1299522829 /nfs/dbraw/zinc/52/28/29/1299522829.db2.gz GSGZMFDTXXWFHL-UHFFFAOYSA-N 2 0 341.499 3.207 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1ccccc1 ZINC000877832707 1299601080 /nfs/dbraw/zinc/60/10/80/1299601080.db2.gz PTNRHRUBOOQGEK-UXHICEINSA-N 2 0 325.456 3.152 20 0 EGADRP CC(C)(C)OC(=O)NCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000759787677 1301162840 /nfs/dbraw/zinc/16/28/40/1301162840.db2.gz UGVMEVAQPYDVQK-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP FC(F)(F)[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000761056449 1301395387 /nfs/dbraw/zinc/39/53/87/1301395387.db2.gz XMSLSFZHBNBPRH-NUYITTKVSA-N 2 0 330.316 3.311 20 0 EGADRP CN(C)[C@@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1cccc(Cl)c1 ZINC000882506664 1301996752 /nfs/dbraw/zinc/99/67/52/1301996752.db2.gz ALQLCYVHWCHBNG-QGZVFWFLSA-N 2 0 349.906 3.030 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCCC1 ZINC000765256037 1302230434 /nfs/dbraw/zinc/23/04/34/1302230434.db2.gz RSGFHMSJWYRQNM-MSOLQXFVSA-N 2 0 333.520 3.152 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cn1 ZINC000883388089 1302426508 /nfs/dbraw/zinc/42/65/08/1302426508.db2.gz LWYDAOSYBWPVAC-APWZRJJASA-N 2 0 336.439 3.249 20 0 EGADRP c1cc2c(cc1C[N@@H+]1CCCC[C@@H](C3CCOCC3)C1)C[NH2+]CC2 ZINC000883462033 1302452677 /nfs/dbraw/zinc/45/26/77/1302452677.db2.gz INBFYOZCIXXLTE-HXUWFJFHSA-N 2 0 328.500 3.361 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000768181615 1302847508 /nfs/dbraw/zinc/84/75/08/1302847508.db2.gz RVZQTCOEQSHTCQ-GOSISDBHSA-N 2 0 326.440 3.020 20 0 EGADRP CC[NH+](CC)CCC[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000770510099 1303279778 /nfs/dbraw/zinc/27/97/78/1303279778.db2.gz JELPAQDLWRJQHR-UHFFFAOYSA-N 2 0 341.540 3.486 20 0 EGADRP C[NH+](CCOC1CCC1)[C@H]1CC[C@H]([N@H+](C)CCOC2CCC2)CC1 ZINC000886389546 1303454090 /nfs/dbraw/zinc/45/40/90/1303454090.db2.gz NTYGROCHCMBCCV-IYARVYRRSA-N 2 0 338.536 3.299 20 0 EGADRP C[C@H]1OCC[C@H]1C[N@H+](C)[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386910 1303454270 /nfs/dbraw/zinc/45/42/70/1303454270.db2.gz LIVBTLUGFWTKPL-PLFGXRCESA-N 2 0 338.536 3.011 20 0 EGADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCc4cccnc43)cc2)CC1 ZINC000886607191 1303521375 /nfs/dbraw/zinc/52/13/75/1303521375.db2.gz MHPBFNCUCRXRHO-HXUWFJFHSA-N 2 0 337.467 3.332 20 0 EGADRP CCC1([NH+]2CCC2)CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000886718417 1303578289 /nfs/dbraw/zinc/57/82/89/1303578289.db2.gz ZJFYCIPHEPMPED-HXUWFJFHSA-N 2 0 327.516 3.211 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000773034316 1303612308 /nfs/dbraw/zinc/61/23/08/1303612308.db2.gz AOZXHHNOOPEZNY-NVGCLXPQSA-N 2 0 328.859 3.221 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000886839699 1303617003 /nfs/dbraw/zinc/61/70/03/1303617003.db2.gz KMUNQOHBMUUMCM-VMXMFDLUSA-N 2 0 346.515 3.058 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@]2(O)CCc3ccccc32)CC1 ZINC000773098151 1303623887 /nfs/dbraw/zinc/62/38/87/1303623887.db2.gz KNKYUFRCXHJWAC-WTNAPCKOSA-N 2 0 342.527 3.453 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)cc1C[NH+]1CCCCC1 ZINC000775387822 1303953607 /nfs/dbraw/zinc/95/36/07/1303953607.db2.gz MSVIYMPFRJWIGB-KKSFZXQISA-N 2 0 346.515 3.493 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2c[nH]nc2C)ccc1OC ZINC000775410221 1303959863 /nfs/dbraw/zinc/95/98/63/1303959863.db2.gz IFFGRPZKCRNGRW-AWEZNQCLSA-N 2 0 330.476 3.419 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(N[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000777584467 1304321581 /nfs/dbraw/zinc/32/15/81/1304321581.db2.gz YZZRXNIKRSALMJ-ZHALLVOQSA-N 2 0 331.504 3.302 20 0 EGADRP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000779439570 1304571922 /nfs/dbraw/zinc/57/19/22/1304571922.db2.gz NXLSLBWBEVSRCY-OKYOBFRVSA-N 2 0 326.440 3.098 20 0 EGADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781421345 1304825514 /nfs/dbraw/zinc/82/55/14/1304825514.db2.gz PVXOLJAHFUVQCT-IVAOSVALSA-N 2 0 330.516 3.284 20 0 EGADRP CCc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000781422959 1304826676 /nfs/dbraw/zinc/82/66/76/1304826676.db2.gz NVFOZCCUWBVPKI-DZFGPLHGSA-N 2 0 338.499 3.362 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891670641 1305130694 /nfs/dbraw/zinc/13/06/94/1305130694.db2.gz ILUCXZGZAZSOBX-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NCC1CC[NH+](C)CC1 ZINC000892356373 1305331415 /nfs/dbraw/zinc/33/14/15/1305331415.db2.gz RUUKALVAAHVUGU-UHFFFAOYSA-N 2 0 333.545 3.298 20 0 EGADRP CCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c(C)n1 ZINC000892469968 1305390334 /nfs/dbraw/zinc/39/03/34/1305390334.db2.gz UYZYMNIMJAVBCD-UHFFFAOYSA-N 2 0 326.488 3.487 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C)c2C2CC2)c1 ZINC000892696394 1305512620 /nfs/dbraw/zinc/51/26/20/1305512620.db2.gz HUDZDXXSXFJPCK-UHFFFAOYSA-N 2 0 326.488 3.428 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000893488113 1305920581 /nfs/dbraw/zinc/92/05/81/1305920581.db2.gz RKBCVJDAGITBPX-PZJWPPBQSA-N 2 0 336.479 3.073 20 0 EGADRP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788497514 1305957153 /nfs/dbraw/zinc/95/71/53/1305957153.db2.gz JDNNUNPIPILHHB-IRXDYDNUSA-N 2 0 341.540 3.344 20 0 EGADRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788816566 1306021672 /nfs/dbraw/zinc/02/16/72/1306021672.db2.gz SYRZDKZSSTZKMT-OXJNMPFZSA-N 2 0 325.456 3.350 20 0 EGADRP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093729 1306214964 /nfs/dbraw/zinc/21/49/64/1306214964.db2.gz HNLAUKYGFDTAHI-FXAWDEMLSA-N 2 0 325.500 3.493 20 0 EGADRP CC(C)(C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000791010781 1308909552 /nfs/dbraw/zinc/90/95/52/1308909552.db2.gz JXGUGQXSYUBBER-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]1C ZINC000793001439 1309279368 /nfs/dbraw/zinc/27/93/68/1309279368.db2.gz QMKNNVRFTBREJE-XUVGJJBRSA-N 2 0 336.520 3.351 20 0 EGADRP COc1cccc2c1ncc(C)c2NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521816 1309900298 /nfs/dbraw/zinc/90/02/98/1309900298.db2.gz FVJUCAXOBYBRPL-MRXNPFEDSA-N 2 0 341.455 3.217 20 0 EGADRP Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000796479669 1310010798 /nfs/dbraw/zinc/01/07/98/1310010798.db2.gz BBUBUNMKDSAHCQ-DYESRHJHSA-N 2 0 342.483 3.147 20 0 EGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000796712593 1310071419 /nfs/dbraw/zinc/07/14/19/1310071419.db2.gz YAERVCCHNRGKGA-ZLPCBKJTSA-N 2 0 329.488 3.337 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)CC1 ZINC000896946515 1310100353 /nfs/dbraw/zinc/10/03/53/1310100353.db2.gz UXDICRMLIIKVDW-UHFFFAOYSA-N 2 0 333.545 3.228 20 0 EGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCN1C(C)(C)C ZINC000897065889 1310162789 /nfs/dbraw/zinc/16/27/89/1310162789.db2.gz WTUANFFIFZOOTG-GOSISDBHSA-N 2 0 329.488 3.402 20 0 EGADRP OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccnc2cc(F)c(Cl)cc21 ZINC000897218716 1310226281 /nfs/dbraw/zinc/22/62/81/1310226281.db2.gz FVSNVAKOMPXENI-ZWKOTPCHSA-N 2 0 349.837 3.063 20 0 EGADRP CCOc1ccccc1OCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177287 1310499766 /nfs/dbraw/zinc/49/97/66/1310499766.db2.gz LFVNRSFQAAPPGH-UHFFFAOYSA-N 2 0 332.488 3.272 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176827 1310499784 /nfs/dbraw/zinc/49/97/84/1310499784.db2.gz GBGNXIUJWJDMOC-UHFFFAOYSA-N 2 0 347.478 3.271 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(CCO)cc3)CC2)C1 ZINC000898170692 1310610894 /nfs/dbraw/zinc/61/08/94/1310610894.db2.gz JSJAWLSCASJNER-UTKZUKDTSA-N 2 0 330.516 3.354 20 0 EGADRP CC(C)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1ccccc1 ZINC000839070550 1320861835 /nfs/dbraw/zinc/86/18/35/1320861835.db2.gz VUMYFFVRQKXKAX-NHCUHLMSSA-N 2 0 339.483 3.398 20 0 EGADRP CC(C)n1ncc2cc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)c(Cl)nc21 ZINC000839181112 1320888170 /nfs/dbraw/zinc/88/81/70/1320888170.db2.gz GPGSHLWQMZVQAW-AWEZNQCLSA-N 2 0 349.910 3.487 20 0 EGADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1C[NH+](CC2CCCCC2)C1 ZINC000957077207 1317174743 /nfs/dbraw/zinc/17/47/43/1317174743.db2.gz SIFBJIBEWJZMBS-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001019342950 1317177642 /nfs/dbraw/zinc/17/76/42/1317177642.db2.gz PWUFCQSEQZCEQO-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC000957279206 1317257575 /nfs/dbraw/zinc/25/75/75/1317257575.db2.gz UEBQDEPGTABMAX-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)c1ccccc1C[NH+](C)C)C1C[NH+](CC2CCCC2)C1 ZINC000957422067 1317347232 /nfs/dbraw/zinc/34/72/32/1317347232.db2.gz HOIJWNHETAQPQW-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)c1 ZINC001019811033 1317437701 /nfs/dbraw/zinc/43/77/01/1317437701.db2.gz WJQQNMNQOUKLQS-FQEVSTJZSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001019820440 1317439892 /nfs/dbraw/zinc/43/98/92/1317439892.db2.gz KNCZDJPAYDWVDG-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789451 1328701668 /nfs/dbraw/zinc/70/16/68/1328701668.db2.gz FPWTZWFMJGHJIN-INIZCTEOSA-N 2 0 326.488 3.074 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC000957592214 1317482769 /nfs/dbraw/zinc/48/27/69/1317482769.db2.gz QOAZRKBVLZCEMD-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP CC[N@H+](C)C[C@H]1CCN(Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789453 1328702212 /nfs/dbraw/zinc/70/22/12/1328702212.db2.gz FPWTZWFMJGHJIN-MRXNPFEDSA-N 2 0 326.488 3.074 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000957644794 1317516357 /nfs/dbraw/zinc/51/63/57/1317516357.db2.gz IHBUSWBCBBDZHN-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437218 1317578827 /nfs/dbraw/zinc/57/88/27/1317578827.db2.gz HGSULALSFOKJNB-XUFNMVPLSA-N 2 0 335.495 3.111 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437217 1317578840 /nfs/dbraw/zinc/57/88/40/1317578840.db2.gz HGSULALSFOKJNB-JJCGOBCMSA-N 2 0 335.495 3.111 20 0 EGADRP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000902948066 1317632962 /nfs/dbraw/zinc/63/29/62/1317632962.db2.gz OVWBUDQDRBCXIG-QHAWAJNXSA-N 2 0 346.515 3.081 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001020302732 1317636008 /nfs/dbraw/zinc/63/60/08/1317636008.db2.gz QSPYOKIMTBKVPB-CGBFIWBNSA-N 2 0 343.515 3.086 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1)C(C)C ZINC000957778228 1317643123 /nfs/dbraw/zinc/64/31/23/1317643123.db2.gz ZHGDBEGJWFGXHH-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1OC ZINC000903093243 1317651864 /nfs/dbraw/zinc/65/18/64/1317651864.db2.gz QQJVEEXHKBNXDG-NMACRGETSA-N 2 0 344.499 3.382 20 0 EGADRP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000903121094 1317657665 /nfs/dbraw/zinc/65/76/65/1317657665.db2.gz RSHUDLZWSALMIP-XEOJFFABSA-N 2 0 345.531 3.164 20 0 EGADRP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000903119473 1317657720 /nfs/dbraw/zinc/65/77/20/1317657720.db2.gz SAFJIDWLFOSAPH-XYNXIRJESA-N 2 0 336.545 3.441 20 0 EGADRP Cn1cc(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903129873 1317660482 /nfs/dbraw/zinc/66/04/82/1317660482.db2.gz JEDZJUHNMBMCCO-CTXDPNEZSA-N 2 0 336.483 3.335 20 0 EGADRP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(F)cc1 ZINC000903172250 1317667495 /nfs/dbraw/zinc/66/74/95/1317667495.db2.gz WGUSZMCHEGMWNA-QZNYNHHHSA-N 2 0 331.479 3.176 20 0 EGADRP CC[C@H](c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508542 1317706348 /nfs/dbraw/zinc/70/63/48/1317706348.db2.gz KVYBEAFCLBTEJP-HSALFYBXSA-N 2 0 331.479 3.177 20 0 EGADRP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725289 1317725913 /nfs/dbraw/zinc/72/59/13/1317725913.db2.gz ASIFAOTYLJAFNR-ACRUOGEOSA-N 2 0 328.500 3.018 20 0 EGADRP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734715 1317727500 /nfs/dbraw/zinc/72/75/00/1317727500.db2.gz VERBSBRTWYOSOL-HKBOAZHASA-N 2 0 328.500 3.100 20 0 EGADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735421 1317728415 /nfs/dbraw/zinc/72/84/15/1317728415.db2.gz ZUIKXTLTQZBGEH-HOJAQTOUSA-N 2 0 328.500 3.098 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(F)cccc1Cl ZINC000903758507 1317731277 /nfs/dbraw/zinc/73/12/77/1317731277.db2.gz LIAMLEKPLXEMGP-QWHCGFSZSA-N 2 0 326.843 3.288 20 0 EGADRP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770726 1317731832 /nfs/dbraw/zinc/73/18/32/1317731832.db2.gz YYRJMJBATBJKLX-HBFSDRIKSA-N 2 0 332.463 3.162 20 0 EGADRP CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001020502286 1317732062 /nfs/dbraw/zinc/73/20/62/1317732062.db2.gz GQKJJGGTBSNNDX-KHDSSVQASA-N 2 0 347.547 3.066 20 0 EGADRP C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783924 1317733118 /nfs/dbraw/zinc/73/31/18/1317733118.db2.gz HNISTYICJUZANR-UXHICEINSA-N 2 0 346.490 3.381 20 0 EGADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1)C(C)C ZINC000903793441 1317734804 /nfs/dbraw/zinc/73/48/04/1317734804.db2.gz DEBVTDVFTXAJAT-GOSISDBHSA-N 2 0 345.531 3.013 20 0 EGADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000903888947 1317741797 /nfs/dbraw/zinc/74/17/97/1317741797.db2.gz NGVSGDCGSZFFHD-ZWKOTPCHSA-N 2 0 331.508 3.137 20 0 EGADRP Fc1cccc(C2([NH2+]Cc3cccc4c3CC[NH2+]C4)CCOCC2)c1 ZINC000903902170 1317745319 /nfs/dbraw/zinc/74/53/19/1317745319.db2.gz DOLVKGHFBLEPIV-UHFFFAOYSA-N 2 0 340.442 3.267 20 0 EGADRP O=C(c1ccc(F)cc1)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903905656 1317746667 /nfs/dbraw/zinc/74/66/67/1317746667.db2.gz LBBHSLMKOXTXES-WUUXGELPSA-N 2 0 330.447 3.251 20 0 EGADRP FC(F)(F)c1cc([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903909173 1317746827 /nfs/dbraw/zinc/74/68/27/1317746827.db2.gz CILKEIBBZIAZTF-CPIKKWJDSA-N 2 0 342.409 3.139 20 0 EGADRP Cc1nn(-c2ccccn2)c(Cl)c1CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858246214 1328721422 /nfs/dbraw/zinc/72/14/22/1328721422.db2.gz XXDDFWMIKQLIKQ-HNNXBMFYSA-N 2 0 347.894 3.051 20 0 EGADRP CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC000904373697 1317838396 /nfs/dbraw/zinc/83/83/96/1317838396.db2.gz UWRQCKFBIFFSNB-FQEVSTJZSA-N 2 0 345.487 3.121 20 0 EGADRP Cc1csc(C[C@@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904432651 1317845972 /nfs/dbraw/zinc/84/59/72/1317845972.db2.gz DOOSGTWKVVZOQX-ZDUSSCGKSA-N 2 0 333.526 3.223 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474607 1317851895 /nfs/dbraw/zinc/85/18/95/1317851895.db2.gz WBBREJKLLUTTMD-AZUAARDMSA-N 2 0 340.471 3.118 20 0 EGADRP CCC[C@](C)([NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C)c1ccccc1 ZINC000904469598 1317852363 /nfs/dbraw/zinc/85/23/63/1317852363.db2.gz NMLMWBPTXZBIQC-XLIONFOSSA-N 2 0 328.504 3.151 20 0 EGADRP CCc1ncc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904476188 1317853330 /nfs/dbraw/zinc/85/33/30/1317853330.db2.gz RYERKYQRECZWDD-MAUKXSAKSA-N 2 0 329.469 3.051 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905044998 1317916599 /nfs/dbraw/zinc/91/65/99/1317916599.db2.gz HEPFWNRBYCDOQL-RDTXWAMCSA-N 2 0 326.431 3.024 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000905045895 1317917128 /nfs/dbraw/zinc/91/71/28/1317917128.db2.gz MOMARZUAZDJYKS-GOSISDBHSA-N 2 0 326.431 3.024 20 0 EGADRP COc1ccc([C@H](CNc2cc[nH+]c(CO)c2)[NH+]2CCCCC2)cc1 ZINC000858313626 1328734779 /nfs/dbraw/zinc/73/47/79/1328734779.db2.gz MGVJJSHLRWKHHK-FQEVSTJZSA-N 2 0 341.455 3.222 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020927928 1318000926 /nfs/dbraw/zinc/00/09/26/1318000926.db2.gz PVRPWQDQZGRMPD-WTGUMLROSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)CC[NH2+]C(C)(C)C ZINC000905932966 1318019989 /nfs/dbraw/zinc/01/99/89/1318019989.db2.gz JJZDGIZTJKRNCB-KRWDZBQOSA-N 2 0 333.520 3.365 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc[nH+]c(CO)c2)C1 ZINC000858351661 1328742909 /nfs/dbraw/zinc/74/29/09/1328742909.db2.gz MVIDUVRXLKFGNX-INIZCTEOSA-N 2 0 325.456 3.418 20 0 EGADRP [NH3+]C1CC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000906509270 1318111045 /nfs/dbraw/zinc/11/10/45/1318111045.db2.gz DTQXBKJIMRRDNX-UHFFFAOYSA-N 2 0 338.480 3.239 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001021299932 1318177120 /nfs/dbraw/zinc/17/71/20/1318177120.db2.gz YOCVEUPLXFQIPB-NXEWRWPSSA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021470008 1318269676 /nfs/dbraw/zinc/26/96/76/1318269676.db2.gz QZCJEELTMQCUHB-IPQPSQTFSA-N 2 0 349.563 3.409 20 0 EGADRP CCc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000960042970 1318326795 /nfs/dbraw/zinc/32/67/95/1318326795.db2.gz JORIJPBAAAQUHJ-VQTJNVASSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000960129574 1318371883 /nfs/dbraw/zinc/37/18/83/1318371883.db2.gz BIBCSGUTCUITKQ-SNRMKQJTSA-N 2 0 349.494 3.198 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000960220260 1318417488 /nfs/dbraw/zinc/41/74/88/1318417488.db2.gz WNFRGMKNKQRSLN-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960631022 1318756085 /nfs/dbraw/zinc/75/60/85/1318756085.db2.gz ZLDICYNDAMAKFD-OALUTQOASA-N 2 0 349.563 3.218 20 0 EGADRP O=C(NCC[NH2+]C1CCCCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000911842835 1318771607 /nfs/dbraw/zinc/77/16/07/1318771607.db2.gz ZEHDQAPRYXEUEV-UHFFFAOYSA-N 2 0 347.503 3.308 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)c1ccccc1 ZINC001022069664 1318786749 /nfs/dbraw/zinc/78/67/49/1318786749.db2.gz NJKUSQWBXUAARB-YRPNKDGESA-N 2 0 343.515 3.247 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3cccc(C)c3)C2)CC[N@@H+]1C ZINC001022109353 1318797673 /nfs/dbraw/zinc/79/76/73/1318797673.db2.gz LRLSHNMSMGIMFB-MVBLQPKNSA-N 2 0 343.515 3.023 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1)[NH+](C)C ZINC000960713224 1318820066 /nfs/dbraw/zinc/82/00/66/1318820066.db2.gz UDAILGNYCVIDKO-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022201385 1318839793 /nfs/dbraw/zinc/83/97/93/1318839793.db2.gz HUYMCWOVQIDKNX-CEXWTWQISA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022350795 1318902139 /nfs/dbraw/zinc/90/21/39/1318902139.db2.gz PRLXMNTZRXQFNN-VWAQSERHSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001022362576 1318905735 /nfs/dbraw/zinc/90/57/35/1318905735.db2.gz BAZPRUPJFZZBLX-MKXGPGLRSA-N 2 0 347.547 3.068 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)c1ccccc1 ZINC001022363236 1318907658 /nfs/dbraw/zinc/90/76/58/1318907658.db2.gz LCISFJNQJMALOP-CEXWTWQISA-N 2 0 341.499 3.003 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)o1 ZINC000912811132 1318939041 /nfs/dbraw/zinc/93/90/41/1318939041.db2.gz FDUUMNLQXZYLRE-AEFFLSMTSA-N 2 0 349.519 3.314 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001022535417 1318979334 /nfs/dbraw/zinc/97/93/34/1318979334.db2.gz IVPZPJDEIHVTOO-ZSYWTGECSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000960843878 1318981018 /nfs/dbraw/zinc/98/10/18/1318981018.db2.gz LGXQHMCWVOCVQO-WOJBJXKFSA-N 2 0 345.531 3.004 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960914628 1319059990 /nfs/dbraw/zinc/05/99/90/1319059990.db2.gz ISIAXIAHTZMKQY-HXUWFJFHSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001022711682 1319079488 /nfs/dbraw/zinc/07/94/88/1319079488.db2.gz COTSYQCZGCOOQI-IHETXDGRSA-N 2 0 349.906 3.122 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC000961031725 1319155618 /nfs/dbraw/zinc/15/56/18/1319155618.db2.gz NRYDRTKOYCFCFE-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001022958300 1319186854 /nfs/dbraw/zinc/18/68/54/1319186854.db2.gz IQVLGDPTHVSALZ-CEXWTWQISA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022958274 1319187708 /nfs/dbraw/zinc/18/77/08/1319187708.db2.gz HUIDKRDELOGEQM-HSALFYBXSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001022958828 1319189211 /nfs/dbraw/zinc/18/92/11/1319189211.db2.gz WXQDSKNRESLVFM-KSZLIROESA-N 2 0 349.544 3.140 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001023126442 1319274186 /nfs/dbraw/zinc/27/41/86/1319274186.db2.gz WMWRMQGYSSBCQK-KDURUIRLSA-N 2 0 343.515 3.179 20 0 EGADRP CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000961170695 1319288556 /nfs/dbraw/zinc/28/85/56/1319288556.db2.gz QVBWEORPMJEXHO-JKSUJKDBSA-N 2 0 349.544 3.004 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961235186 1319368963 /nfs/dbraw/zinc/36/89/63/1319368963.db2.gz VTTAOYIVFLBXDC-RTBURBONSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961235178 1319369863 /nfs/dbraw/zinc/36/98/63/1319369863.db2.gz VTTAOYIVFLBXDC-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902365 1319457138 /nfs/dbraw/zinc/45/71/38/1319457138.db2.gz OVUDORRWVFGNEJ-SWLSCSKDSA-N 2 0 329.257 3.238 20 0 EGADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902719 1319457221 /nfs/dbraw/zinc/45/72/21/1319457221.db2.gz XTVMRQMQJVYBQL-LSDHHAIUSA-N 2 0 329.257 3.380 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000817922245 1319461919 /nfs/dbraw/zinc/46/19/19/1319461919.db2.gz CALZAOGQCADMCG-JVPBZIDWSA-N 2 0 332.875 3.096 20 0 EGADRP C[C@@H](N[C@@H](C)c1cc(Br)ncc1F)[C@H]1CCC[NH2+]C1 ZINC000817946849 1319471530 /nfs/dbraw/zinc/47/15/30/1319471530.db2.gz GKKPXRZBEDWSIK-VWYCJHECSA-N 2 0 330.245 3.022 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950294 1319475368 /nfs/dbraw/zinc/47/53/68/1319475368.db2.gz YEIBLXJKWJXANI-AVRDEDQJSA-N 3 0 337.511 3.188 20 0 EGADRP COc1ccc([C@H](C)NC[C@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000817959471 1319478420 /nfs/dbraw/zinc/47/84/20/1319478420.db2.gz ROOVZZHLEYCKKY-LPHOPBHVSA-N 2 0 333.520 3.315 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000817968001 1319481358 /nfs/dbraw/zinc/48/13/58/1319481358.db2.gz FQBASALRHBFNAL-VQIMIIECSA-N 3 0 333.520 3.330 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1Cn1cccn1 ZINC000817975116 1319482481 /nfs/dbraw/zinc/48/24/81/1319482481.db2.gz JBLSAJNTNRBQIE-JKSUJKDBSA-N 2 0 330.476 3.108 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cn1cccn1 ZINC000817980160 1319484082 /nfs/dbraw/zinc/48/40/82/1319484082.db2.gz JKHXMCMPLKVNQK-LPHOPBHVSA-N 2 0 342.487 3.123 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413927 1319516805 /nfs/dbraw/zinc/51/68/05/1319516805.db2.gz KYBCLUCJNGLNKZ-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961366541 1319522218 /nfs/dbraw/zinc/52/22/18/1319522218.db2.gz IPOUEKGSWJOHPX-UXHICEINSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001023445944 1319546502 /nfs/dbraw/zinc/54/65/02/1319546502.db2.gz FUCLDFSOPGWFIB-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961406169 1319563405 /nfs/dbraw/zinc/56/34/05/1319563405.db2.gz PEMCCTIRKDPQOE-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CCC3CC3)C2)CC1)[NH+](C)C ZINC000961409370 1319565341 /nfs/dbraw/zinc/56/53/41/1319565341.db2.gz CJGPUIVZINIHFF-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000818954166 1319587820 /nfs/dbraw/zinc/58/78/20/1319587820.db2.gz SUJIJFBCLJPPPZ-HXUWFJFHSA-N 2 0 328.431 3.245 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000819015655 1319615259 /nfs/dbraw/zinc/61/52/59/1319615259.db2.gz MTMLEJAWNLELEY-GHTZIAJQSA-N 2 0 342.458 3.013 20 0 EGADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000819220514 1319672798 /nfs/dbraw/zinc/67/27/98/1319672798.db2.gz PGTQNSIGTCXQPO-MEDUHNTESA-N 2 0 329.271 3.267 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(CC)CC)C[C@H]21 ZINC000962277972 1319897007 /nfs/dbraw/zinc/89/70/07/1319897007.db2.gz ZSHIATKZVREUTR-ZGXWSNOMSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763214 1319911584 /nfs/dbraw/zinc/91/15/84/1319911584.db2.gz FENYTWNDQPKLPN-ZWKOTPCHSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(C[NH+](C)C)c1 ZINC000820808005 1319957029 /nfs/dbraw/zinc/95/70/29/1319957029.db2.gz VSENJIQEWBXYDH-GDBMZVCRSA-N 2 0 343.437 3.283 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(C[NH+](C)C)c1 ZINC000820808008 1319957319 /nfs/dbraw/zinc/95/73/19/1319957319.db2.gz VSENJIQEWBXYDH-ZBFHGGJFSA-N 2 0 343.437 3.283 20 0 EGADRP Cc1ccccc1C[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000820810141 1319959142 /nfs/dbraw/zinc/95/91/42/1319959142.db2.gz PQSJBIOTRSRWCS-ICSRJNTNSA-N 2 0 341.499 3.097 20 0 EGADRP CC1(C)CC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC(C)(C)[NH2+]1 ZINC000822308718 1320070135 /nfs/dbraw/zinc/07/01/35/1320070135.db2.gz RYKOJXUPCYGQSX-UHFFFAOYSA-N 2 0 343.515 3.321 20 0 EGADRP Fc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(F)cn1 ZINC000823702801 1320198850 /nfs/dbraw/zinc/19/88/50/1320198850.db2.gz TWQOSXUTOGPPGN-UHFFFAOYSA-N 2 0 331.410 3.362 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823736683 1320202390 /nfs/dbraw/zinc/20/23/90/1320202390.db2.gz KNUWEOBXLDWEQH-SJORKVTESA-N 2 0 341.540 3.105 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc(C[NH3+])c1)c1ccsc1 ZINC000827023978 1320421478 /nfs/dbraw/zinc/42/14/78/1320421478.db2.gz OEFPBHNDJWLGKX-QGZVFWFLSA-N 2 0 331.485 3.020 20 0 EGADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cc[nH+]1 ZINC000838985131 1320846895 /nfs/dbraw/zinc/84/68/95/1320846895.db2.gz SYFXIUMKZWBIIN-IKGGRYGDSA-N 2 0 335.542 3.020 20 0 EGADRP COC(=O)C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000839553145 1320936788 /nfs/dbraw/zinc/93/67/88/1320936788.db2.gz NQPXMWXKHFHXIC-LJQANCHMSA-N 2 0 330.472 3.104 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1OC(F)F ZINC000841035480 1321205468 /nfs/dbraw/zinc/20/54/68/1321205468.db2.gz JXBXZYBGTOXAHA-UHFFFAOYSA-N 2 0 336.382 3.088 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc1 ZINC000841035679 1321205706 /nfs/dbraw/zinc/20/57/06/1321205706.db2.gz LVNQIIISNGGUID-UHFFFAOYSA-N 2 0 327.447 3.217 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2(N(C)C)CC2)ccc1OC ZINC000841761538 1321308228 /nfs/dbraw/zinc/30/82/28/1321308228.db2.gz GIRHMEDCIUBYHN-INIZCTEOSA-N 2 0 333.520 3.282 20 0 EGADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215116 1328947957 /nfs/dbraw/zinc/94/79/57/1328947957.db2.gz ZQEKGIBOPRPUEX-FGTMMUONSA-N 2 0 345.531 3.358 20 0 EGADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216064 1328949370 /nfs/dbraw/zinc/94/93/70/1328949370.db2.gz WZIDXADDGOBDAV-PXNSSMCTSA-N 2 0 345.531 3.360 20 0 EGADRP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000842473179 1321392950 /nfs/dbraw/zinc/39/29/50/1321392950.db2.gz QKCVXORCDIRKRH-TZIWHRDSSA-N 2 0 342.483 3.101 20 0 EGADRP CCOc1cc(C[N@H+](C)C2CCC([NH3+])CC2)cc(Cl)c1OC ZINC000843055466 1321463008 /nfs/dbraw/zinc/46/30/08/1321463008.db2.gz CMPLJBFGOYTCGG-UHFFFAOYSA-N 2 0 326.868 3.449 20 0 EGADRP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C1CCC([NH3+])CC1 ZINC000843056009 1321463266 /nfs/dbraw/zinc/46/32/66/1321463266.db2.gz WIALNQNPWDCGET-UHFFFAOYSA-N 2 0 325.456 3.362 20 0 EGADRP O[C@H](C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000843066742 1321465100 /nfs/dbraw/zinc/46/51/00/1321465100.db2.gz UBMZRGUTIQQLMC-ZWKOTPCHSA-N 2 0 330.497 3.283 20 0 EGADRP [NH3+]C1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000843104814 1321470465 /nfs/dbraw/zinc/47/04/65/1321470465.db2.gz NHQUNKGKXMDHDZ-UHFFFAOYSA-N 2 0 347.466 3.294 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000843105468 1321471256 /nfs/dbraw/zinc/47/12/56/1321471256.db2.gz GEOZOFPITUGWNY-UHFFFAOYSA-N 2 0 326.488 3.216 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843128725 1321473957 /nfs/dbraw/zinc/47/39/57/1321473957.db2.gz ZQJMOJGNQFRQBG-CQSZACIVSA-N 2 0 325.884 3.474 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000843129842 1321474393 /nfs/dbraw/zinc/47/43/93/1321474393.db2.gz SAPCZDVSOIHPPK-IAGOWNOFSA-N 2 0 327.472 3.493 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000843341582 1321502006 /nfs/dbraw/zinc/50/20/06/1321502006.db2.gz VMLGUVUOJBWXSH-GXRSIYKFSA-N 2 0 336.479 3.365 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000843341578 1321502118 /nfs/dbraw/zinc/50/21/18/1321502118.db2.gz VMLGUVUOJBWXSH-DXBBTUNJSA-N 2 0 336.479 3.365 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000843348731 1321503362 /nfs/dbraw/zinc/50/33/62/1321503362.db2.gz OQVPZDXOQKSLHJ-MRXNPFEDSA-N 2 0 337.467 3.351 20 0 EGADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc([C@@H](C)CC)cc2)CC1 ZINC000843352130 1321504438 /nfs/dbraw/zinc/50/44/38/1321504438.db2.gz GLUYLHUEBQQZCN-INIZCTEOSA-N 2 0 331.504 3.460 20 0 EGADRP CCCCCCNC(=O)[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843358797 1321506069 /nfs/dbraw/zinc/50/60/69/1321506069.db2.gz PAHHWGBDFNHAHG-IBGZPJMESA-N 2 0 337.552 3.175 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843377832 1321508933 /nfs/dbraw/zinc/50/89/33/1321508933.db2.gz NYRAHAUGIAWHEL-QGZVFWFLSA-N 2 0 337.467 3.353 20 0 EGADRP COc1cc(N[C@@H]2CCC[N@H+](CCCCCC[NH3+])C2)cc(OC)c1 ZINC000846221247 1321777425 /nfs/dbraw/zinc/77/74/25/1321777425.db2.gz VCUJJFQZPRNNQW-MRXNPFEDSA-N 2 0 335.492 3.099 20 0 EGADRP C[C@@H]1C[C@@H](CCNC(=[NH2+])Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000848989832 1322056939 /nfs/dbraw/zinc/05/69/39/1322056939.db2.gz DVCVZSGGGWNKDH-SJLPKXTDSA-N 2 0 337.471 3.319 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000849065634 1322064140 /nfs/dbraw/zinc/06/41/40/1322064140.db2.gz NUNFSFAZAMERNU-IYBDPMFKSA-N 2 0 346.519 3.066 20 0 EGADRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC[NH2+]C(C)(C)C)c1 ZINC000849071018 1322066305 /nfs/dbraw/zinc/06/63/05/1322066305.db2.gz GXWRYLABAFSIGJ-UHFFFAOYSA-N 2 0 336.480 3.198 20 0 EGADRP C[C@]1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCCS1 ZINC000849088446 1322074310 /nfs/dbraw/zinc/07/43/10/1322074310.db2.gz JHIVIUYMZSNBTL-LJQANCHMSA-N 2 0 346.544 3.051 20 0 EGADRP CC(C)C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000849090300 1322074462 /nfs/dbraw/zinc/07/44/62/1322074462.db2.gz BPFOEKUOSSBLDM-OAHLLOKOSA-N 2 0 344.425 3.296 20 0 EGADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091303 1322074728 /nfs/dbraw/zinc/07/47/28/1322074728.db2.gz UDLCQLPHSLVLLY-CQSZACIVSA-N 2 0 342.409 3.051 20 0 EGADRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091269 1322075067 /nfs/dbraw/zinc/07/50/67/1322075067.db2.gz QRIIYCNGBPIFOX-ZDUSSCGKSA-N 2 0 342.409 3.051 20 0 EGADRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000849091204 1322075123 /nfs/dbraw/zinc/07/51/23/1322075123.db2.gz ZLFGVTIBTMOEJH-CYBMUJFWSA-N 2 0 342.409 3.194 20 0 EGADRP CC1(C)C(NC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000849096707 1322076468 /nfs/dbraw/zinc/07/64/68/1322076468.db2.gz LIMFLNGOHZXDSN-UHFFFAOYSA-N 2 0 328.504 3.200 20 0 EGADRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849105920 1322080429 /nfs/dbraw/zinc/08/04/29/1322080429.db2.gz IVADTRCKMYVCSC-GOSISDBHSA-N 2 0 344.503 3.106 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000849106022 1322080435 /nfs/dbraw/zinc/08/04/35/1322080435.db2.gz PDYIBQJYBOIBSB-XIRDDKMYSA-N 2 0 334.895 3.184 20 0 EGADRP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCCCC1 ZINC000849107298 1322081028 /nfs/dbraw/zinc/08/10/28/1322081028.db2.gz OIPWKQCWRVABNI-LBPRGKRZSA-N 2 0 344.381 3.396 20 0 EGADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849112276 1322082942 /nfs/dbraw/zinc/08/29/42/1322082942.db2.gz FNPGCRFIOPQFGT-LRDDRELGSA-N 2 0 338.858 3.138 20 0 EGADRP COc1cncc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000850227091 1322209939 /nfs/dbraw/zinc/20/99/39/1322209939.db2.gz WRZJBMXKPZKWFU-HKUYNNGSSA-N 2 0 339.483 3.481 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)cc1C[NH+]1CCCCC1 ZINC000850517593 1322261118 /nfs/dbraw/zinc/26/11/18/1322261118.db2.gz XKZPHSJJJOUSBU-IAGOWNOFSA-N 2 0 346.515 3.493 20 0 EGADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000850541374 1322262869 /nfs/dbraw/zinc/26/28/69/1322262869.db2.gz VTRKLLUTCKYZBV-XLIONFOSSA-N 2 0 330.520 3.128 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751425 1322391885 /nfs/dbraw/zinc/39/18/85/1322391885.db2.gz XGSPRYRHOXLBLV-UZLBHIALSA-N 2 0 337.467 3.017 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000921857828 1322412993 /nfs/dbraw/zinc/41/29/93/1322412993.db2.gz BCYSTLNAHDKLIC-MLHJIOFPSA-N 2 0 326.550 3.018 20 0 EGADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000921982035 1322434432 /nfs/dbraw/zinc/43/44/32/1322434432.db2.gz ZVRFKRXEULTWJK-GBESFXJTSA-N 2 0 334.529 3.017 20 0 EGADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)ccn1 ZINC000922244682 1322486708 /nfs/dbraw/zinc/48/67/08/1322486708.db2.gz XQUDMXCGCNXBPW-NJDAHSKKSA-N 2 0 343.515 3.088 20 0 EGADRP CN(CCCC[NH+]1CCCCC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000922327157 1322502358 /nfs/dbraw/zinc/50/23/58/1322502358.db2.gz ZIDJRIIQNHKKJW-FQEVSTJZSA-N 2 0 345.531 3.404 20 0 EGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC000922386800 1322515265 /nfs/dbraw/zinc/51/52/65/1322515265.db2.gz IRDAIKSPHYHMNS-CZYKHXBRSA-N 2 0 338.495 3.409 20 0 EGADRP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313140 1322731503 /nfs/dbraw/zinc/73/15/03/1322731503.db2.gz VKGCMNIRLOMTFY-VUQUMOFBSA-N 2 0 328.500 3.495 20 0 EGADRP O[C@@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923358293 1322740015 /nfs/dbraw/zinc/74/00/15/1322740015.db2.gz YDBNWRJQQCINHD-VXKWHMMOSA-N 2 0 338.495 3.065 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000923361972 1322740429 /nfs/dbraw/zinc/74/04/29/1322740429.db2.gz JEVJGAMSOVHEER-IIYDPXPESA-N 2 0 343.298 3.348 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923383227 1322742774 /nfs/dbraw/zinc/74/27/74/1322742774.db2.gz VMZZFQDNMRJWHW-KFKAGJAMSA-N 2 0 337.467 3.015 20 0 EGADRP c1ccc2c(c1)C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[C@H]1CCCN21 ZINC000923425568 1322749863 /nfs/dbraw/zinc/74/98/63/1322749863.db2.gz HSKLMONLEARXMT-ZNBHLAFESA-N 2 0 325.500 3.392 20 0 EGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cnnc2)c1 ZINC000924574692 1323059983 /nfs/dbraw/zinc/05/99/83/1323059983.db2.gz WUKGXPHEYXYANP-SJORKVTESA-N 2 0 327.476 3.182 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001023985486 1323065671 /nfs/dbraw/zinc/06/56/71/1323065671.db2.gz XALXEPATSOWFQC-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024018688 1323080386 /nfs/dbraw/zinc/08/03/86/1323080386.db2.gz RMOHSYSHVNOHAY-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC1(C)OC[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000851799112 1323090653 /nfs/dbraw/zinc/09/06/53/1323090653.db2.gz PHIZLZYQQLQMBG-FPOVZHCZSA-N 2 0 344.499 3.126 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@H]2COC(C)(C)O2)CC1)CC(C)C ZINC000851891780 1323107124 /nfs/dbraw/zinc/10/71/24/1323107124.db2.gz CCJCQSIREVZMLI-SFHVURJKSA-N 2 0 326.525 3.218 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851948530 1323120950 /nfs/dbraw/zinc/12/09/50/1323120950.db2.gz WWAZNWPSNPIYDH-NEWSRXKRSA-N 2 0 332.488 3.028 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001024091138 1323124451 /nfs/dbraw/zinc/12/44/51/1323124451.db2.gz YTNZQJICBKTRGV-IBGZPJMESA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cnn(C)n1 ZINC000924730232 1323136926 /nfs/dbraw/zinc/13/69/26/1323136926.db2.gz MGGZLYTYBZJZKQ-INIZCTEOSA-N 2 0 341.503 3.430 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000924782329 1323160680 /nfs/dbraw/zinc/16/06/80/1323160680.db2.gz MVVWDWFUOXFRPT-OAHLLOKOSA-N 2 0 329.444 3.246 20 0 EGADRP c1ccc(CON2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000924842313 1323184765 /nfs/dbraw/zinc/18/47/65/1323184765.db2.gz GHSJDPCRSJQPFX-UHFFFAOYSA-N 2 0 343.515 3.189 20 0 EGADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000852563962 1323209074 /nfs/dbraw/zinc/20/90/74/1323209074.db2.gz XHVXBNPLHAPQNK-UXHICEINSA-N 2 0 332.536 3.377 20 0 EGADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000852563963 1323209173 /nfs/dbraw/zinc/20/91/73/1323209173.db2.gz XHVXBNPLHAPQNK-VQTJNVASSA-N 2 0 332.536 3.377 20 0 EGADRP CCCC[C@@](C)(F)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000852834491 1323247274 /nfs/dbraw/zinc/24/72/74/1323247274.db2.gz RGSNELPGQLQVBC-LJQANCHMSA-N 2 0 349.494 3.015 20 0 EGADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000925052308 1323257751 /nfs/dbraw/zinc/25/77/51/1323257751.db2.gz RSVPBXXPRVVPJS-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)C1 ZINC000853061741 1323271201 /nfs/dbraw/zinc/27/12/01/1323271201.db2.gz FTMJSZVNJLIQOQ-UTKZUKDTSA-N 2 0 339.483 3.137 20 0 EGADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccccn1 ZINC000853098839 1323281463 /nfs/dbraw/zinc/28/14/63/1323281463.db2.gz OXHISGLLODHIAC-OAQYLSRUSA-N 2 0 339.483 3.281 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024436259 1323395617 /nfs/dbraw/zinc/39/56/17/1323395617.db2.gz AUTWWCNFQAPBIA-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC=C(C)C)C1 ZINC001024614928 1323542318 /nfs/dbraw/zinc/54/23/18/1323542318.db2.gz LOZYTCFGCJFSDF-RBUKOAKNSA-N 2 0 335.536 3.045 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001024620405 1323548522 /nfs/dbraw/zinc/54/85/22/1323548522.db2.gz UCXVOQIUCABJRF-YTQUADARSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749828 1323653646 /nfs/dbraw/zinc/65/36/46/1323653646.db2.gz HGRNNZZKHZLNRL-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024814021 1323715209 /nfs/dbraw/zinc/71/52/09/1323715209.db2.gz MATKNWORTLQKCS-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024814019 1323716835 /nfs/dbraw/zinc/71/68/35/1323716835.db2.gz MATKNWORTLQKCS-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024959214 1323801215 /nfs/dbraw/zinc/80/12/15/1323801215.db2.gz PZDHCIMORGOQHR-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]2C1 ZINC000931432583 1329116058 /nfs/dbraw/zinc/11/60/58/1329116058.db2.gz WGPSSFREGJIXGW-CABCVRRESA-N 2 0 331.847 3.379 20 0 EGADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(OCc4ccccc4)nc3)C[C@@H]2C1 ZINC000931441239 1329118238 /nfs/dbraw/zinc/11/82/38/1329118238.db2.gz DZPXGSZQXLDDJB-UXHICEINSA-N 2 0 337.467 3.044 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001025106336 1323898542 /nfs/dbraw/zinc/89/85/42/1323898542.db2.gz OMCSWGZPAADGPI-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025135685 1323913602 /nfs/dbraw/zinc/91/36/02/1323913602.db2.gz HUXZKFWRVXBBHJ-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266438 1324077278 /nfs/dbraw/zinc/07/72/78/1324077278.db2.gz JREHCXOLBZEGPA-RTBURBONSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627766 1324479023 /nfs/dbraw/zinc/47/90/23/1324479023.db2.gz LJGNCCLNQKAQGQ-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630415 1324481836 /nfs/dbraw/zinc/48/18/36/1324481836.db2.gz SQNHPICNGOYIDN-DLBZAZTESA-N 2 0 349.519 3.362 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001026464521 1324823902 /nfs/dbraw/zinc/82/39/02/1324823902.db2.gz KGPKOLNDQZXGJT-CTWPCTMYSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026492295 1324846119 /nfs/dbraw/zinc/84/61/19/1324846119.db2.gz IKEYHMLXYNNTCB-ACBHZAAOSA-N 2 0 335.536 3.066 20 0 EGADRP CC(C)[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494399 1324847430 /nfs/dbraw/zinc/84/74/30/1324847430.db2.gz NBBBMBFLJNUUOP-WWDZGPRUSA-N 2 0 335.536 3.066 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CC2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001026494608 1324847638 /nfs/dbraw/zinc/84/76/38/1324847638.db2.gz WOZOZOXVNZVZSY-LMDPOFIKSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)CC[N@@H+]1C ZINC001026496838 1324847927 /nfs/dbraw/zinc/84/79/27/1324847927.db2.gz XLBDORAZGJEVSH-SGZDXZSOSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001026540207 1324877120 /nfs/dbraw/zinc/87/71/20/1324877120.db2.gz DSNSNSIKDABTAA-UHFFFAOYSA-N 2 0 349.563 3.458 20 0 EGADRP O=C(NC1CCC([NH2+]CC2CC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001026548407 1324885035 /nfs/dbraw/zinc/88/50/35/1324885035.db2.gz YSOHPAGAABYVPT-AFMYVXGZSA-N 2 0 347.547 3.211 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC001026592467 1324918099 /nfs/dbraw/zinc/91/80/99/1324918099.db2.gz BTTXVZJTSFKNAH-HDYDNRTBSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026839690 1325041718 /nfs/dbraw/zinc/04/17/18/1325041718.db2.gz DXQMRYPQZXRFSM-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000925154630 1325067927 /nfs/dbraw/zinc/06/79/27/1325067927.db2.gz FZOOHSNEVZOHFZ-YWZLYKJASA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(-c2ccccc2)no1 ZINC000925216179 1325082869 /nfs/dbraw/zinc/08/28/69/1325082869.db2.gz RMXQLQCUJJGLRB-INIZCTEOSA-N 2 0 342.487 3.018 20 0 EGADRP C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(C[NH+](C)C)c1 ZINC000925281820 1325112758 /nfs/dbraw/zinc/11/27/58/1325112758.db2.gz BNAIYLFRCIQHKG-ZDUSSCGKSA-N 2 0 340.393 3.358 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360729 1325157447 /nfs/dbraw/zinc/15/74/47/1325157447.db2.gz OJELIGNURYNHKK-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C)[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000925482137 1325169467 /nfs/dbraw/zinc/16/94/67/1325169467.db2.gz LSIJSNZYQOSHCA-UXHICEINSA-N 2 0 329.463 3.498 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925512972 1325186012 /nfs/dbraw/zinc/18/60/12/1325186012.db2.gz GOLJJFGJUXWVSN-MSOLQXFVSA-N 2 0 333.907 3.164 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)CC2)c1 ZINC000925533196 1325195206 /nfs/dbraw/zinc/19/52/06/1325195206.db2.gz YSORHLGQURJWGK-GOSISDBHSA-N 3 0 333.545 3.224 20 0 EGADRP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963420062 1325229125 /nfs/dbraw/zinc/22/91/25/1325229125.db2.gz GJFPNVNYVMRHLP-FAFZWHIHSA-N 2 0 335.536 3.161 20 0 EGADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1 ZINC000925690830 1325261536 /nfs/dbraw/zinc/26/15/36/1325261536.db2.gz LIJZCXDYRNNRPD-AABGKKOBSA-N 2 0 325.456 3.372 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000925739703 1325277707 /nfs/dbraw/zinc/27/77/07/1325277707.db2.gz DFVNZPOSJIHTQX-ZDUSSCGKSA-N 2 0 327.266 3.380 20 0 EGADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC000854676346 1325293471 /nfs/dbraw/zinc/29/34/71/1325293471.db2.gz LSYANODJVIQLKO-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925799661 1325305613 /nfs/dbraw/zinc/30/56/13/1325305613.db2.gz AQTYQIJQALCHIG-SOUVJXGZSA-N 2 0 344.425 3.111 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc21 ZINC000925817053 1325315066 /nfs/dbraw/zinc/31/50/66/1325315066.db2.gz MQOXRKPKPGVUSU-VGOFRKELSA-N 2 0 335.495 3.430 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925825195 1325318366 /nfs/dbraw/zinc/31/83/66/1325318366.db2.gz XWJSOLVKSITEJA-XRTORIHISA-N 3 0 330.520 3.296 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963678363 1325373713 /nfs/dbraw/zinc/37/37/13/1325373713.db2.gz YQDKGDZABSBRSQ-UHFFFAOYSA-N 2 0 340.471 3.107 20 0 EGADRP CCC(CC)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCO1 ZINC000926110522 1325432442 /nfs/dbraw/zinc/43/24/42/1325432442.db2.gz WVFRZSCBHGYRSZ-NWJVMNJYSA-N 2 0 338.536 3.202 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027334224 1325493377 /nfs/dbraw/zinc/49/33/77/1325493377.db2.gz KSGNVLZPGZBJSS-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000926285065 1325503901 /nfs/dbraw/zinc/50/39/01/1325503901.db2.gz OHHIFSOHFIGMIV-RTWAWAEBSA-N 2 0 348.506 3.392 20 0 EGADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926357582 1325525378 /nfs/dbraw/zinc/52/53/78/1325525378.db2.gz QNKAQMLSQJBACR-OAHLLOKOSA-N 2 0 329.488 3.418 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)CC1 ZINC000926532448 1325587978 /nfs/dbraw/zinc/58/79/78/1325587978.db2.gz XZUBTSAYJSECOJ-UXHICEINSA-N 2 0 331.504 3.402 20 0 EGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(Br)n1 ZINC000926572215 1327619607 /nfs/dbraw/zinc/61/96/07/1327619607.db2.gz CVQIYRDBLYBRHS-CHWSQXEVSA-N 2 0 326.282 3.227 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(Br)n1 ZINC000926572217 1327619922 /nfs/dbraw/zinc/61/99/22/1327619922.db2.gz CVQIYRDBLYBRHS-QWHCGFSZSA-N 2 0 326.282 3.227 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001027418669 1327645845 /nfs/dbraw/zinc/64/58/45/1327645845.db2.gz GUJFMMSUBIQQRK-SLFFLAALSA-N 2 0 347.547 3.140 20 0 EGADRP C[N@H+](CCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442675 1327682148 /nfs/dbraw/zinc/68/21/48/1327682148.db2.gz DUAUUSPBKRHOTL-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001027452335 1327692115 /nfs/dbraw/zinc/69/21/15/1327692115.db2.gz MURAMKUOLSYQOG-PMACEKPBSA-N 2 0 345.531 3.004 20 0 EGADRP CCN(C(=O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926882929 1327754832 /nfs/dbraw/zinc/75/48/32/1327754832.db2.gz ZXENGFCXLPMYIG-QGZVFWFLSA-N 2 0 339.483 3.452 20 0 EGADRP CC(C)[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000927065675 1327838210 /nfs/dbraw/zinc/83/82/10/1327838210.db2.gz IYKPSALGPSNIIQ-OXQOHEQNSA-N 2 0 344.503 3.408 20 0 EGADRP C[N@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556122 1327864332 /nfs/dbraw/zinc/86/43/32/1327864332.db2.gz XLUAWTAKHZAHKW-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC001027576762 1327912885 /nfs/dbraw/zinc/91/28/85/1327912885.db2.gz WHFGWXVRASZJJM-ICSRJNTNSA-N 2 0 349.563 3.364 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577092 1327914466 /nfs/dbraw/zinc/91/44/66/1327914466.db2.gz DLBPEGSTILXDFR-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680544 1328078841 /nfs/dbraw/zinc/07/88/41/1328078841.db2.gz HFZZULYSUZIEKY-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681940 1328079938 /nfs/dbraw/zinc/07/99/38/1328079938.db2.gz GBDMQIREXGCRMI-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027693389 1328098059 /nfs/dbraw/zinc/09/80/59/1328098059.db2.gz XZLKIUCIMBPPFQ-IBGZPJMESA-N 2 0 343.515 3.085 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694469 1328100129 /nfs/dbraw/zinc/10/01/29/1328100129.db2.gz ZEFNCROWBAPOTO-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027694022 1328100775 /nfs/dbraw/zinc/10/07/75/1328100775.db2.gz PBAJKVYPZVDPOL-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001027694491 1328101015 /nfs/dbraw/zinc/10/10/15/1328101015.db2.gz AERKCTHVCCPCNU-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865530958 1329709895 /nfs/dbraw/zinc/70/98/95/1329709895.db2.gz JVPNQKMOXPYHGW-UHFFFAOYSA-N 2 0 347.547 3.370 20 0 EGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865594645 1329717701 /nfs/dbraw/zinc/71/77/01/1329717701.db2.gz VQYGRBBQWHGGCG-UHFFFAOYSA-N 2 0 347.547 3.370 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000936058734 1330110968 /nfs/dbraw/zinc/11/09/68/1330110968.db2.gz AVVJZQITRFXBSJ-INIZCTEOSA-N 2 0 335.492 3.116 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257107 1331890244 /nfs/dbraw/zinc/89/02/44/1331890244.db2.gz JDCKHWFRZGCTQM-MJGOQNOKSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557363 1331971114 /nfs/dbraw/zinc/97/11/14/1331971114.db2.gz GGXILFIHCYETSO-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581125 1331986972 /nfs/dbraw/zinc/98/69/72/1331986972.db2.gz AKMZHAOIMFBLIN-QAPCUYQASA-N 2 0 349.519 3.218 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC000943756364 1332254898 /nfs/dbraw/zinc/25/48/98/1332254898.db2.gz OWTYLMQJMALXIR-UYAOXDASSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCC3CCCC3)C[C@@H]2C)CC1 ZINC000943756362 1332254965 /nfs/dbraw/zinc/25/49/65/1332254965.db2.gz OWTYLMQJMALXIR-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946615990 1332863506 /nfs/dbraw/zinc/86/35/06/1332863506.db2.gz VULIKWBTHUGCKL-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361838 1333103284 /nfs/dbraw/zinc/10/32/84/1333103284.db2.gz RVQVZXYWGJCWRL-DOTOQJQBSA-N 2 0 349.544 3.359 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361841 1333103469 /nfs/dbraw/zinc/10/34/69/1333103469.db2.gz RVQVZXYWGJCWRL-WBVHZDCISA-N 2 0 349.544 3.359 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000947492761 1333146150 /nfs/dbraw/zinc/14/61/50/1333146150.db2.gz NGZKIMWBIIZVRK-WMZOPIPTSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCC(C)(C)C ZINC000947551543 1333168803 /nfs/dbraw/zinc/16/88/03/1333168803.db2.gz MHBHFDJUXGVJBH-DOTOQJQBSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CC1CCCC1 ZINC000947552261 1333169783 /nfs/dbraw/zinc/16/97/83/1333169783.db2.gz SWAFSGGXGZSWSE-YJBOKZPZSA-N 2 0 340.471 3.107 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569063 1333174793 /nfs/dbraw/zinc/17/47/93/1333174793.db2.gz RHVNOPVWWBSFEH-IEBWSBKVSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCC1CC1 ZINC000948056113 1333357892 /nfs/dbraw/zinc/35/78/92/1333357892.db2.gz HHHRRQWCSJNTGA-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC000948067096 1333362150 /nfs/dbraw/zinc/36/21/50/1333362150.db2.gz TWHFGQRUEYRTBQ-APWZRJJASA-N 2 0 343.515 3.131 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948368497 1333497596 /nfs/dbraw/zinc/49/75/96/1333497596.db2.gz NEBIFUIKJOXVRP-OALUTQOASA-N 2 0 337.552 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583398 1333584766 /nfs/dbraw/zinc/58/47/66/1333584766.db2.gz QHUXQYORMQKDBH-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000948620039 1333599733 /nfs/dbraw/zinc/59/97/33/1333599733.db2.gz BDCXSXHKQMHYOQ-ICFOYXHFSA-N 2 0 346.862 3.013 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948642859 1333608754 /nfs/dbraw/zinc/60/87/54/1333608754.db2.gz OXDZPILTUCAZHO-IBGZPJMESA-N 2 0 345.531 3.126 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673646 1333623168 /nfs/dbraw/zinc/62/31/68/1333623168.db2.gz FFKNZSXUJKQFKQ-ROUUACIJSA-N 2 0 337.552 3.220 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC000948765867 1333668826 /nfs/dbraw/zinc/66/88/26/1333668826.db2.gz DKSULBOLKSAWGB-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767143 1333669812 /nfs/dbraw/zinc/66/98/12/1333669812.db2.gz QYYPERPITIMHGN-PKOBYXMFSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000948829631 1333701879 /nfs/dbraw/zinc/70/18/79/1333701879.db2.gz SANNBRMJYZSQMD-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000950524596 1334084790 /nfs/dbraw/zinc/08/47/90/1334084790.db2.gz XXIGSWBJRGMDDE-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CC(CC)CC)C2)C1 ZINC000951211858 1334209444 /nfs/dbraw/zinc/20/94/44/1334209444.db2.gz CRJITSHVMHLFBA-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327992 1335891227 /nfs/dbraw/zinc/89/12/27/1335891227.db2.gz VRGXALJNCYYMCT-PXNSSMCTSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H]1CC[N@H+](CC2=CCCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330961 1335892078 /nfs/dbraw/zinc/89/20/78/1335892078.db2.gz ICJSNIIAFCGOCX-MJGOQNOKSA-N 2 0 347.547 3.045 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[N@H+](CCC3CCCC3)CC[C@H]2C)CC1 ZINC000968458755 1335931517 /nfs/dbraw/zinc/93/15/17/1335931517.db2.gz DUFSYMABUQGJKI-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968645209 1335995624 /nfs/dbraw/zinc/99/56/24/1335995624.db2.gz RCMJYRMGWZQHDI-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000968904002 1336085456 /nfs/dbraw/zinc/08/54/56/1336085456.db2.gz FSCDTBZIWUMZDY-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968928550 1336093444 /nfs/dbraw/zinc/09/34/44/1336093444.db2.gz NVVDWFLEDGRKLH-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC1CC(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000968934087 1336095147 /nfs/dbraw/zinc/09/51/47/1336095147.db2.gz MUCQXDLGFYXFKO-CTWPCTMYSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936451 1336095678 /nfs/dbraw/zinc/09/56/78/1336095678.db2.gz IGKQMYLEWTXZEV-AEFFLSMTSA-N 2 0 342.487 3.355 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968991358 1336112458 /nfs/dbraw/zinc/11/24/58/1336112458.db2.gz YIOXPBIQNYNACL-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000969736436 1336240769 /nfs/dbraw/zinc/24/07/69/1336240769.db2.gz YQNTTWBPBDRERK-GOSISDBHSA-N 2 0 347.503 3.116 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000969736369 1336241004 /nfs/dbraw/zinc/24/10/04/1336241004.db2.gz XHBDRKSNMBYQRF-GOSISDBHSA-N 2 0 345.487 3.036 20 0 EGADRP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326287 1336294961 /nfs/dbraw/zinc/29/49/61/1336294961.db2.gz PNGIUSJYSSJMDP-PXNSSMCTSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCC3CCCC3)C2)CC1 ZINC000970672542 1336331775 /nfs/dbraw/zinc/33/17/75/1336331775.db2.gz MFLCKLOOHBJBJX-QGZVFWFLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001005503314 1336363109 /nfs/dbraw/zinc/36/31/09/1336363109.db2.gz KBGSKFDAVWOCLE-QLOJAFMTSA-N 2 0 349.563 3.218 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205617483 1370812898 /nfs/dbraw/zinc/81/28/98/1370812898.db2.gz KFXGDSMMWARILV-TZMCWYRMSA-N 2 0 341.293 3.265 20 0 EGADRP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006119833 1336455080 /nfs/dbraw/zinc/45/50/80/1336455080.db2.gz NMOSNTLGBDBQGR-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006443485 1336507047 /nfs/dbraw/zinc/50/70/47/1336507047.db2.gz FETNFGCKDPNWCB-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007458338 1336651379 /nfs/dbraw/zinc/65/13/79/1336651379.db2.gz WFISSIARJNAFAW-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001007495475 1336657738 /nfs/dbraw/zinc/65/77/38/1336657738.db2.gz JURMWEVMCOHUIP-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001007499812 1336658585 /nfs/dbraw/zinc/65/85/85/1336658585.db2.gz QNNDJGGMTGDHNN-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007956882 1336738660 /nfs/dbraw/zinc/73/86/60/1336738660.db2.gz YVOYSOOEQDYOHK-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007954338 1336738684 /nfs/dbraw/zinc/73/86/84/1336738684.db2.gz UFNHAHFRGWXGJG-GOSISDBHSA-N 2 0 340.471 3.109 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001009164931 1336979663 /nfs/dbraw/zinc/97/96/63/1336979663.db2.gz BHASCLSPEJPMBM-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1O ZINC001206325190 1371023684 /nfs/dbraw/zinc/02/36/84/1371023684.db2.gz GEXNJVMPNZRPFM-INIZCTEOSA-N 2 0 341.293 3.414 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001014720237 1337882402 /nfs/dbraw/zinc/88/24/02/1337882402.db2.gz CMSZLPQTDJFMTM-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CC1(C)CC(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001014728063 1337888714 /nfs/dbraw/zinc/88/87/14/1337888714.db2.gz KNOYNUOKMXVPRE-MJGOQNOKSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291557 1338086501 /nfs/dbraw/zinc/08/65/01/1338086501.db2.gz SVLUDXSVYJNIKH-AZUAARDMSA-N 2 0 348.450 3.290 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015504583 1338162142 /nfs/dbraw/zinc/16/21/42/1338162142.db2.gz PNACCGNMUDNHAA-PKOBYXMFSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001015704572 1338269963 /nfs/dbraw/zinc/26/99/63/1338269963.db2.gz CZBXFBZGZBUYGC-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001015792681 1338312493 /nfs/dbraw/zinc/31/24/93/1338312493.db2.gz BJIUEKJCVCUBOK-HKUYNNGSSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001015971589 1338385348 /nfs/dbraw/zinc/38/53/48/1338385348.db2.gz BRLVOONWGRQQAH-PMACEKPBSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001016339374 1338555127 /nfs/dbraw/zinc/55/51/27/1338555127.db2.gz PTIBSEOHJJPXAL-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016611685 1338663620 /nfs/dbraw/zinc/66/36/20/1338663620.db2.gz FEDGANMCTRONSL-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623572 1338667986 /nfs/dbraw/zinc/66/79/86/1338667986.db2.gz FAFWDKZDBCVSID-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016653003 1338679895 /nfs/dbraw/zinc/67/98/95/1338679895.db2.gz YEKDJRCZZHBTHV-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016819660 1338737427 /nfs/dbraw/zinc/73/74/27/1338737427.db2.gz LSHVRVIBNKTWNX-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC1 ZINC001016891185 1338760743 /nfs/dbraw/zinc/76/07/43/1338760743.db2.gz BZIXXFPDZVLOFT-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001017129247 1338884520 /nfs/dbraw/zinc/88/45/20/1338884520.db2.gz YLFCCIGWWAFKPH-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCCC3)C2)CC[N@@H+]1C ZINC001017134835 1338887770 /nfs/dbraw/zinc/88/77/70/1338887770.db2.gz YXOCNYGQHUEZKV-SLFFLAALSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017151966 1338901550 /nfs/dbraw/zinc/90/15/50/1338901550.db2.gz JHYANWJVMIBABJ-UXHICEINSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017159646 1338908349 /nfs/dbraw/zinc/90/83/49/1338908349.db2.gz CDVYZSLDBXXVIL-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618928 1339377816 /nfs/dbraw/zinc/37/78/16/1339377816.db2.gz VZEFHRGXGCNQRT-IJXRJRJASA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001028180528 1340470764 /nfs/dbraw/zinc/47/07/64/1340470764.db2.gz BTSVUCUFUXZAKE-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001028252365 1340512839 /nfs/dbraw/zinc/51/28/39/1340512839.db2.gz UZMBNHDUYQDQPQ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001028335278 1340572088 /nfs/dbraw/zinc/57/20/88/1340572088.db2.gz REARZDSLCOFSKL-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343537 1340583484 /nfs/dbraw/zinc/58/34/84/1340583484.db2.gz PCBWHDJWMCUTAH-MRXNPFEDSA-N 2 0 335.492 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028537702 1340693532 /nfs/dbraw/zinc/69/35/32/1340693532.db2.gz QJXKEZCPSRAUSM-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028845814 1340856761 /nfs/dbraw/zinc/85/67/61/1340856761.db2.gz QONOVXWFIBZQHN-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001028902545 1340879243 /nfs/dbraw/zinc/87/92/43/1340879243.db2.gz YWCSKWAXVNNGKB-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029172221 1340948433 /nfs/dbraw/zinc/94/84/33/1340948433.db2.gz AAVBKCRKVWLMMT-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029306080 1340969680 /nfs/dbraw/zinc/96/96/80/1340969680.db2.gz HETAVUIGIKVWIU-ZCNNSNEGSA-N 2 0 347.547 3.115 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029345366 1340974724 /nfs/dbraw/zinc/97/47/24/1340974724.db2.gz UMMLFSOWEKUBDA-AQNXPRMDSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029345513 1340974825 /nfs/dbraw/zinc/97/48/25/1340974825.db2.gz YJYGARXDNMMNDL-SLFFLAALSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001029359853 1340977295 /nfs/dbraw/zinc/97/72/95/1340977295.db2.gz LMXZBNDAZJTDLJ-HSALFYBXSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029759068 1341064694 /nfs/dbraw/zinc/06/46/94/1341064694.db2.gz KPLWBSQEBZNFEU-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001030020720 1341159815 /nfs/dbraw/zinc/15/98/15/1341159815.db2.gz PBSBJXVPZXOAMF-HNJRGHQBSA-N 2 0 343.515 3.059 20 0 EGADRP CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918977 1341422001 /nfs/dbraw/zinc/42/20/01/1341422001.db2.gz ZSGRDLRSTOKIPI-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001032026221 1341441814 /nfs/dbraw/zinc/44/18/14/1341441814.db2.gz BAFPJDUTZFDGSR-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1 ZINC001032801974 1341618906 /nfs/dbraw/zinc/61/89/06/1341618906.db2.gz NZTNMWBZZPRFFI-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033365092 1341797061 /nfs/dbraw/zinc/79/70/61/1341797061.db2.gz KAUVESPNYMKIAH-UXHICEINSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467727 1341837786 /nfs/dbraw/zinc/83/77/86/1341837786.db2.gz RBXJILBLWOOSIL-UYAOXDASSA-N 2 0 347.547 3.284 20 0 EGADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656560 1341931995 /nfs/dbraw/zinc/93/19/95/1341931995.db2.gz CDFYRGSJQKCEES-CRAIPNDOSA-N 2 0 349.906 3.030 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033953371 1342111118 /nfs/dbraw/zinc/11/11/18/1342111118.db2.gz LCSLQHOWNADJTL-HXUWFJFHSA-N 2 0 345.531 3.127 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989117 1342132849 /nfs/dbraw/zinc/13/28/49/1342132849.db2.gz KMXMRUPHNFTDHK-FXAWDEMLSA-N 2 0 345.531 3.331 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001034044438 1342185226 /nfs/dbraw/zinc/18/52/26/1342185226.db2.gz BAFAKSQRNIVCEH-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045540 1342185730 /nfs/dbraw/zinc/18/57/30/1342185730.db2.gz KVCMTFMZPIVZFN-FXAWDEMLSA-N 2 0 345.531 3.331 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203614 1342314282 /nfs/dbraw/zinc/31/42/82/1342314282.db2.gz FXDDPKCZLLYXKF-OALUTQOASA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034248557 1342345947 /nfs/dbraw/zinc/34/59/47/1342345947.db2.gz DKXNVCVNKCGKHC-MOPGFXCFSA-N 2 0 335.536 3.186 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001034291309 1342377152 /nfs/dbraw/zinc/37/71/52/1342377152.db2.gz SZKSCSHGESWEGZ-IBGZPJMESA-N 2 0 347.547 3.166 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331152 1342405959 /nfs/dbraw/zinc/40/59/59/1342405959.db2.gz RYDRCRYSQKJKMT-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034398123 1342465056 /nfs/dbraw/zinc/46/50/56/1342465056.db2.gz MHRLDBJLCCLXDW-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430258 1342492539 /nfs/dbraw/zinc/49/25/39/1342492539.db2.gz CJQXWORLFHJRHE-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001034438407 1342500544 /nfs/dbraw/zinc/50/05/44/1342500544.db2.gz NKPHLECQPUFJBD-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(C)C)C1 ZINC001034479756 1342536826 /nfs/dbraw/zinc/53/68/26/1342536826.db2.gz BBJPMOXCWJYQAF-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034480785 1342537576 /nfs/dbraw/zinc/53/75/76/1342537576.db2.gz NQUAAJVVJSFAPN-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001034526197 1342583098 /nfs/dbraw/zinc/58/30/98/1342583098.db2.gz VQSTXQJEUOMQGG-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535217 1342591471 /nfs/dbraw/zinc/59/14/71/1342591471.db2.gz CWKKIZVZXOWYBG-LPHOPBHVSA-N 2 0 349.494 3.081 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001034792125 1342761276 /nfs/dbraw/zinc/76/12/76/1342761276.db2.gz FQZPYVZKEZMMJK-VBSBHUPXSA-N 2 0 343.515 3.025 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034795635 1342762750 /nfs/dbraw/zinc/76/27/50/1342762750.db2.gz NDXZJSIDJKOITE-FHWLQOOXSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034797076 1342763226 /nfs/dbraw/zinc/76/32/26/1342763226.db2.gz VQMDLMARGAMQML-UFYCRDLUSA-N 2 0 347.547 3.378 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001034937539 1342844189 /nfs/dbraw/zinc/84/41/89/1342844189.db2.gz WASYNLSFJKSHKG-LJQANCHMSA-N 2 0 347.547 3.332 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034959084 1342853171 /nfs/dbraw/zinc/85/31/71/1342853171.db2.gz RAUYDWWDQAQPKZ-WOJBJXKFSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC001035028763 1342885035 /nfs/dbraw/zinc/88/50/35/1342885035.db2.gz URLBSGOJBCDMKK-YSIASYRMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035051203 1342899099 /nfs/dbraw/zinc/89/90/99/1342899099.db2.gz LCSVEUPBTODCPM-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001035071604 1342911595 /nfs/dbraw/zinc/91/15/95/1342911595.db2.gz ZJVXFRANRGFZFI-AZUAARDMSA-N 2 0 347.547 3.332 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035102671 1342927746 /nfs/dbraw/zinc/92/77/46/1342927746.db2.gz ZWNKKLBMSWWFNC-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188079 1343002460 /nfs/dbraw/zinc/00/24/60/1343002460.db2.gz QOKYYXOCQJMTQT-GBESFXJTSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1)[NH+](C)C ZINC001035229305 1343050169 /nfs/dbraw/zinc/05/01/69/1343050169.db2.gz HGHTUQQCOYRIRW-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236900 1343060045 /nfs/dbraw/zinc/06/00/45/1343060045.db2.gz FBWIBPXNEULDRD-MOPGFXCFSA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035858786 1343234905 /nfs/dbraw/zinc/23/49/05/1343234905.db2.gz ZYPMKZRFJKZZIT-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035859125 1343235334 /nfs/dbraw/zinc/23/53/34/1343235334.db2.gz QTCIDPZEMIASBV-HDICACEKSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036180446 1343349773 /nfs/dbraw/zinc/34/97/73/1343349773.db2.gz AYQNURGTIOTDCK-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001036399757 1343465460 /nfs/dbraw/zinc/46/54/60/1343465460.db2.gz ILMNEIAAZQKZHB-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001036429560 1343482450 /nfs/dbraw/zinc/48/24/50/1343482450.db2.gz HRGJIBAOTOMALT-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC(C)(C)C)C2)CC1 ZINC001036854705 1343788869 /nfs/dbraw/zinc/78/88/69/1343788869.db2.gz POHRRYVZSRFEHU-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036903239 1343850312 /nfs/dbraw/zinc/85/03/12/1343850312.db2.gz XNEZBJZTYHVGPF-AZUAARDMSA-N 2 0 343.515 3.085 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904289 1343850710 /nfs/dbraw/zinc/85/07/10/1343850710.db2.gz PFNIAPXFKWXJEZ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001037038091 1343941851 /nfs/dbraw/zinc/94/18/51/1343941851.db2.gz IDEPSGNQWQALHL-HKUYNNGSSA-N 2 0 340.471 3.013 20 0 EGADRP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001037036265 1343941986 /nfs/dbraw/zinc/94/19/86/1343941986.db2.gz GDYRMCJEWSKDDR-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001037056307 1343953970 /nfs/dbraw/zinc/95/39/70/1343953970.db2.gz DURZVLVYJHWFGU-MOPGFXCFSA-N 2 0 347.547 3.236 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CC2)o1 ZINC001037135783 1343985327 /nfs/dbraw/zinc/98/53/27/1343985327.db2.gz SEZFZTDTBNXPOJ-WMZOPIPTSA-N 2 0 347.503 3.020 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001212336213 1372689762 /nfs/dbraw/zinc/68/97/62/1372689762.db2.gz VLTKOCRVQNMUSL-AWEZNQCLSA-N 2 0 329.231 3.346 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001037213717 1344046624 /nfs/dbraw/zinc/04/66/24/1344046624.db2.gz PZGKTMHZDVICAT-HOCLYGCPSA-N 2 0 337.533 3.096 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037240243 1344062468 /nfs/dbraw/zinc/06/24/68/1344062468.db2.gz WGJCZKKEOAPENL-VQTJNVASSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037855665 1344141568 /nfs/dbraw/zinc/14/15/68/1344141568.db2.gz WPXVNGORIMAOKG-MOPGFXCFSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037861348 1344146795 /nfs/dbraw/zinc/14/67/95/1344146795.db2.gz QXZIMVCYFTXOQI-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001037978659 1344217427 /nfs/dbraw/zinc/21/74/27/1344217427.db2.gz MUMVSZWAIWPPDU-VQTJNVASSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001037979648 1344217514 /nfs/dbraw/zinc/21/75/14/1344217514.db2.gz TYIPSYDOLUCZLY-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038320219 1344378237 /nfs/dbraw/zinc/37/82/37/1344378237.db2.gz HJFQTMZKGVJDQY-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038320198 1344378947 /nfs/dbraw/zinc/37/89/47/1344378947.db2.gz HGXYLUYJENJQSG-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039133898 1344813198 /nfs/dbraw/zinc/81/31/98/1344813198.db2.gz LXOFIJVBIXKRTI-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039183164 1344881620 /nfs/dbraw/zinc/88/16/20/1344881620.db2.gz WYIKNBUHIHBMJA-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC)C2)CC1 ZINC001039185727 1344886060 /nfs/dbraw/zinc/88/60/60/1344886060.db2.gz WDXLQKYUGIVAFW-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214361 1344929761 /nfs/dbraw/zinc/92/97/61/1344929761.db2.gz OKPIKEWELLLJPD-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039226307 1344944813 /nfs/dbraw/zinc/94/48/13/1344944813.db2.gz WEDBGZFEMFPTPO-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375528 1345033342 /nfs/dbraw/zinc/03/33/42/1345033342.db2.gz JNBPVBBVDDTJQK-MSOLQXFVSA-N 2 0 335.536 3.116 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380347 1345035795 /nfs/dbraw/zinc/03/57/95/1345035795.db2.gz SIMYQBHIKMJAGU-FUMNGEBKSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386746 1345038811 /nfs/dbraw/zinc/03/88/11/1345038811.db2.gz BSGSMRSLXAMDSX-AQNXPRMDSA-N 2 0 349.563 3.361 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039473937 1345088565 /nfs/dbraw/zinc/08/85/65/1345088565.db2.gz JRRSHEIWASPVRH-MOPGFXCFSA-N 2 0 343.515 3.227 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001039658528 1345153922 /nfs/dbraw/zinc/15/39/22/1345153922.db2.gz OWGQCSPQTVRFAJ-KSZLIROESA-N 2 0 337.552 3.074 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040232996 1345387589 /nfs/dbraw/zinc/38/75/89/1345387589.db2.gz UZXZVYKPDYCYSQ-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242202 1345392352 /nfs/dbraw/zinc/39/23/52/1345392352.db2.gz XCDPGMRABGYZNN-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040245841 1345394176 /nfs/dbraw/zinc/39/41/76/1345394176.db2.gz YODIDFASAWOHEJ-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387597 1345471055 /nfs/dbraw/zinc/47/10/55/1345471055.db2.gz DTVSYLBLSNMGRS-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040396980 1345475779 /nfs/dbraw/zinc/47/57/79/1345475779.db2.gz XLWOKPKXYQNRLT-RXVVDRJESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430342 1345492993 /nfs/dbraw/zinc/49/29/93/1345492993.db2.gz AWWVHGCVVDTKBA-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040493955 1345519378 /nfs/dbraw/zinc/51/93/78/1345519378.db2.gz RJVKEOJLPXOEBU-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040544861 1345539614 /nfs/dbraw/zinc/53/96/14/1345539614.db2.gz LHXMKKDGYOLOGK-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2)[NH+]1CCCCC1 ZINC001040545070 1345540195 /nfs/dbraw/zinc/54/01/95/1345540195.db2.gz MKSCYJMFEPCHJN-TZIWHRDSSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040545823 1345540234 /nfs/dbraw/zinc/54/02/34/1345540234.db2.gz VDPNZMSPYICEHF-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001040703557 1345567784 /nfs/dbraw/zinc/56/77/84/1345567784.db2.gz HMPIGTYJNWPZFH-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001040707402 1345568035 /nfs/dbraw/zinc/56/80/35/1345568035.db2.gz BBCKPPGZHMOICX-QZTJIDSGSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2)C1CC1 ZINC001040725539 1345571265 /nfs/dbraw/zinc/57/12/65/1345571265.db2.gz AYXVXBLQYHGLKR-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746587 1345573742 /nfs/dbraw/zinc/57/37/42/1345573742.db2.gz DXDGRWXLVNDPLH-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC001041301489 1345696337 /nfs/dbraw/zinc/69/63/37/1345696337.db2.gz MVBNELMKCYDQKJ-UEXGIBASSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3=CCCCC3)C2)C1)[NH+](C)C ZINC001041404492 1345719522 /nfs/dbraw/zinc/71/95/22/1345719522.db2.gz UHWSKERSOIHNCK-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590688 1345785245 /nfs/dbraw/zinc/78/52/45/1345785245.db2.gz SAUBNGGVLIOYBJ-CTNGQTDRSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041671686 1345817859 /nfs/dbraw/zinc/81/78/59/1345817859.db2.gz NGPOYVSIIFJZJN-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845497 1345871575 /nfs/dbraw/zinc/87/15/75/1345871575.db2.gz FSBUJQJZVIOOJX-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846177 1345871888 /nfs/dbraw/zinc/87/18/88/1345871888.db2.gz YTSACMXPOCALNH-TZIWHRDSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125641 1345950879 /nfs/dbraw/zinc/95/08/79/1345950879.db2.gz VZIBQXMBKAENOH-PKOBYXMFSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001043198477 1346152557 /nfs/dbraw/zinc/15/25/57/1346152557.db2.gz QVAFXTIULPXBOI-QLOJAFMTSA-N 2 0 349.563 3.076 20 0 EGADRP CN(C(=O)CC1CC[NH+](C)CC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044004565 1346232755 /nfs/dbraw/zinc/23/27/55/1346232755.db2.gz FHBHZWXEDMITSI-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001044656302 1346394877 /nfs/dbraw/zinc/39/48/77/1346394877.db2.gz BXOQEWRBECXZEA-MAUKXSAKSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044741611 1346418241 /nfs/dbraw/zinc/41/82/41/1346418241.db2.gz CBWYIJZCUWYVBC-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767591 1346424573 /nfs/dbraw/zinc/42/45/73/1346424573.db2.gz PLFNBOGOXKXSQJ-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045271592 1346545428 /nfs/dbraw/zinc/54/54/28/1346545428.db2.gz ZWNKKLBMSWWFNC-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC001045310684 1346556146 /nfs/dbraw/zinc/55/61/46/1346556146.db2.gz QRVFDVCWDGOXPG-QAPCUYQASA-N 2 0 349.906 3.077 20 0 EGADRP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001045475803 1346603024 /nfs/dbraw/zinc/60/30/24/1346603024.db2.gz RAGCHAQWEOIFSR-ROUUACIJSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1c(C(=O)NC2(C)CC[NH+](CCC3CC3)CC2)ccc2c[nH+]cn21 ZINC001045490352 1346607684 /nfs/dbraw/zinc/60/76/84/1346607684.db2.gz PXDVQLZBESZFPQ-UHFFFAOYSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045776069 1346695604 /nfs/dbraw/zinc/69/56/04/1346695604.db2.gz GBKORQABMOJNII-QYZOEREBSA-N 2 0 349.563 3.361 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001045858336 1346722993 /nfs/dbraw/zinc/72/29/93/1346722993.db2.gz IVEYUWBMRSPZTM-HSALFYBXSA-N 2 0 347.547 3.115 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001045858533 1346723213 /nfs/dbraw/zinc/72/32/13/1346723213.db2.gz MZMVCNIILKFIGT-SXLOBPIMSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942970 1346778561 /nfs/dbraw/zinc/77/85/61/1346778561.db2.gz DKZWEOGACCOSAD-PZJWPPBQSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960561 1346795963 /nfs/dbraw/zinc/79/59/63/1346795963.db2.gz MPGZJMRJTJVZPH-HXUWFJFHSA-N 2 0 347.503 3.069 20 0 EGADRP CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)[NH+](C)C ZINC001045965790 1346800937 /nfs/dbraw/zinc/80/09/37/1346800937.db2.gz WFFPAYUPQOPHTK-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974067 1346810207 /nfs/dbraw/zinc/81/02/07/1346810207.db2.gz XFBACPBGZZOGNG-TZIWHRDSSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046316728 1346932488 /nfs/dbraw/zinc/93/24/88/1346932488.db2.gz QGZOMOVLKALRSR-FPOVZHCZSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001046739867 1347078316 /nfs/dbraw/zinc/07/83/16/1347078316.db2.gz XKEKYAVBDBRNSF-OAQYLSRUSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001047265646 1347286276 /nfs/dbraw/zinc/28/62/76/1347286276.db2.gz KZUZPHCRXRCDOG-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001047870098 1347394598 /nfs/dbraw/zinc/39/45/98/1347394598.db2.gz UEDMXPPYIDIVHB-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047887848 1347399660 /nfs/dbraw/zinc/39/96/60/1347399660.db2.gz CCHBYDCLCXULMD-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047989547 1347435625 /nfs/dbraw/zinc/43/56/25/1347435625.db2.gz RRINBOIZSQFLST-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001048067765 1347457915 /nfs/dbraw/zinc/45/79/15/1347457915.db2.gz BGTRTEZYOJKOPT-ICSRJNTNSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048340306 1347523384 /nfs/dbraw/zinc/52/33/84/1347523384.db2.gz QSDBJJUXCRPFHT-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048526004 1347578075 /nfs/dbraw/zinc/57/80/75/1347578075.db2.gz IOOBVKJPBCEQSO-IYWMVGAKSA-N 2 0 349.563 3.265 20 0 EGADRP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001048607544 1347617107 /nfs/dbraw/zinc/61/71/07/1347617107.db2.gz WBYPRPBKFKUJQX-FHWLQOOXSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049462779 1347861100 /nfs/dbraw/zinc/86/11/00/1347861100.db2.gz CAFTWOQBPIAWJH-XUVXKRRUSA-N 2 0 347.547 3.115 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049507243 1347883488 /nfs/dbraw/zinc/88/34/88/1347883488.db2.gz FHCRJZQTMDGMFP-GBESFXJTSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514392 1347886668 /nfs/dbraw/zinc/88/66/68/1347886668.db2.gz DLOTWSJPTDNALO-XUVXKRRUSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CC1 ZINC001049526172 1347892158 /nfs/dbraw/zinc/89/21/58/1347892158.db2.gz UAPATHNOBHXKJN-AQNXPRMDSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572666 1347915690 /nfs/dbraw/zinc/91/56/90/1347915690.db2.gz MRTMSIGXOBEAEW-KFKAGJAMSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589749 1347925596 /nfs/dbraw/zinc/92/55/96/1347925596.db2.gz BNCFZXPPUGTXGS-RTBURBONSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637592 1347947762 /nfs/dbraw/zinc/94/77/62/1347947762.db2.gz HRNYOLNIFNBGOO-QZTJIDSGSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049703660 1347981370 /nfs/dbraw/zinc/98/13/70/1347981370.db2.gz LXKGBBOBAYZDQJ-KZNAEPCWSA-N 2 0 337.552 3.074 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719677 1347989936 /nfs/dbraw/zinc/98/99/36/1347989936.db2.gz RYUQRRRNEFHJSK-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049725177 1347991634 /nfs/dbraw/zinc/99/16/34/1347991634.db2.gz VSJKHPNRIXJUSD-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049725281 1347991664 /nfs/dbraw/zinc/99/16/64/1347991664.db2.gz WHKFIOVXRQEMJD-HOJAQTOUSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CC1 ZINC001049767121 1348010644 /nfs/dbraw/zinc/01/06/44/1348010644.db2.gz NSYSPKLFZXYPKU-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1=CCCCC1 ZINC001049897879 1348098841 /nfs/dbraw/zinc/09/88/41/1348098841.db2.gz VFPVCBRWFJBCGR-VQTJNVASSA-N 2 0 345.531 3.038 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049912858 1348108531 /nfs/dbraw/zinc/10/85/31/1348108531.db2.gz PHQIVNDSOHYXOS-UXHICEINSA-N 2 0 343.515 3.227 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001050075944 1348173921 /nfs/dbraw/zinc/17/39/21/1348173921.db2.gz QGPACZVULIWGNC-XUVXKRRUSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)c2occc2C[NH+](C)C)cc1 ZINC001050270296 1348223879 /nfs/dbraw/zinc/22/38/79/1348223879.db2.gz OLNWXYNNNAOZBR-OAHLLOKOSA-N 2 0 343.471 3.330 20 0 EGADRP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001050270935 1348224170 /nfs/dbraw/zinc/22/41/70/1348224170.db2.gz BKAOPGDJKUIVJI-VQIMIIECSA-N 2 0 331.504 3.236 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050543764 1348286850 /nfs/dbraw/zinc/28/68/50/1348286850.db2.gz LQNDLFXEWPMRIC-IBGZPJMESA-N 2 0 347.547 3.118 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050542577 1348287086 /nfs/dbraw/zinc/28/70/86/1348287086.db2.gz HHJSVMCACMZGNK-IBGZPJMESA-N 2 0 347.547 3.140 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079848916 1357400498 /nfs/dbraw/zinc/40/04/98/1357400498.db2.gz MRPNZPNVWIWXNT-BHIYHBOVSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001079848692 1357400795 /nfs/dbraw/zinc/40/07/95/1357400795.db2.gz HFHWHXQEDMHWNS-BHIYHBOVSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)CC2)[NH+](C)C ZINC001050650050 1348316218 /nfs/dbraw/zinc/31/62/18/1348316218.db2.gz BVCMZPAPGZIMGK-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)CC2)[NH+](C)C ZINC001050668236 1348321815 /nfs/dbraw/zinc/32/18/15/1348321815.db2.gz LBKCYXUXIIKYBN-HKUYNNGSSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050687629 1348327372 /nfs/dbraw/zinc/32/73/72/1348327372.db2.gz ONLAKODWSKYIQW-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCc2c(CNC(=O)c3ccc4c[nH+]cn4c3)cccc2C1 ZINC001051293477 1348422184 /nfs/dbraw/zinc/42/21/84/1348422184.db2.gz RSJQNEDVXWSZGA-UHFFFAOYSA-N 2 0 348.450 3.032 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381409 1348536894 /nfs/dbraw/zinc/53/68/94/1348536894.db2.gz PZDAXGSWJOOMGM-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)CC[N@@H+]1C ZINC001052391191 1348539154 /nfs/dbraw/zinc/53/91/54/1348539154.db2.gz MCNDANOTNIRMML-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447945 1348544517 /nfs/dbraw/zinc/54/45/17/1348544517.db2.gz QKYJLQRSXFYOJB-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052499152 1348559781 /nfs/dbraw/zinc/55/97/81/1348559781.db2.gz OTAHAYHHFZJCRW-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CC1 ZINC001052680781 1348628408 /nfs/dbraw/zinc/62/84/08/1348628408.db2.gz UGIJSZPDFGBLQB-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052715271 1348645995 /nfs/dbraw/zinc/64/59/95/1348645995.db2.gz BTVVCFHYLBSYGB-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052955580 1348769177 /nfs/dbraw/zinc/76/91/77/1348769177.db2.gz HPLMZCNCXQHXPE-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044614 1348845069 /nfs/dbraw/zinc/84/50/69/1348845069.db2.gz QQBIFUFCIYJTJG-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044572 1348845511 /nfs/dbraw/zinc/84/55/11/1348845511.db2.gz QEBMWTSLCKFQIZ-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100473 1348933245 /nfs/dbraw/zinc/93/32/45/1348933245.db2.gz HIIJRZRMKHWNIH-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100945 1348934444 /nfs/dbraw/zinc/93/44/44/1348934444.db2.gz JXYCLWVLNWBVAR-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108531 1348947137 /nfs/dbraw/zinc/94/71/37/1348947137.db2.gz VVWGVSFVBCLVLZ-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054142483 1349153241 /nfs/dbraw/zinc/15/32/41/1349153241.db2.gz CQLRXOFFUVGJJF-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001054197388 1349199551 /nfs/dbraw/zinc/19/95/51/1349199551.db2.gz ARPRJMZSUOHLQH-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001054199197 1349201302 /nfs/dbraw/zinc/20/13/02/1349201302.db2.gz PRQXWDAAUUTLRI-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)C[NH+](C(C)C)C3)C1 ZINC001054277947 1349277780 /nfs/dbraw/zinc/27/77/80/1349277780.db2.gz FGNDDGSYYLDCJH-LJQANCHMSA-N 2 0 343.515 3.149 20 0 EGADRP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292662 1349298489 /nfs/dbraw/zinc/29/84/89/1349298489.db2.gz QQAYGLPFPVYSIW-HXUWFJFHSA-N 2 0 343.515 3.293 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1)c1ccccc1 ZINC001054296496 1349301360 /nfs/dbraw/zinc/30/13/60/1349301360.db2.gz VPGNLSGURWGKED-GUDVDZBRSA-N 2 0 331.504 3.059 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001054298389 1349302282 /nfs/dbraw/zinc/30/22/82/1349302282.db2.gz GDMIEPCARLVNMZ-GGPKGHCWSA-N 2 0 345.531 3.285 20 0 EGADRP CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317993 1357572378 /nfs/dbraw/zinc/57/23/78/1357572378.db2.gz FKFGUJYFZXTLKW-BHIYHBOVSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001183077296 1387259198 /nfs/dbraw/zinc/25/91/98/1387259198.db2.gz YLDXZJSYIXGRKR-WIYYLYMNSA-N 2 0 349.563 3.147 20 0 EGADRP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001183137662 1387267968 /nfs/dbraw/zinc/26/79/68/1387267968.db2.gz BBJFWTJIRTYNFG-YFVAEKQCSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CCC(C)(C)C ZINC001071653009 1354827831 /nfs/dbraw/zinc/82/78/31/1354827831.db2.gz RBTNADLZCXTKBZ-RDJZCZTQSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCCC1CCC1 ZINC001071734808 1354887276 /nfs/dbraw/zinc/88/72/76/1354887276.db2.gz AXGHZUVYEPYFMZ-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1CCCCC1 ZINC001071821646 1354962129 /nfs/dbraw/zinc/96/21/29/1354962129.db2.gz ROVJYVUFIWPGJA-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873519 1354998670 /nfs/dbraw/zinc/99/86/70/1354998670.db2.gz YATNNPMWKOFOSS-APWZRJJASA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919680 1355024991 /nfs/dbraw/zinc/02/49/91/1355024991.db2.gz GFYKKYFYELVKPK-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2)[NH+](C)C ZINC001072832228 1355455973 /nfs/dbraw/zinc/45/59/73/1355455973.db2.gz ACRPICJKJRCTCY-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCCC2)CC1 ZINC001074085974 1356074373 /nfs/dbraw/zinc/07/43/73/1356074373.db2.gz GJFMEPVUPCWBRQ-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001074091847 1356078298 /nfs/dbraw/zinc/07/82/98/1356078298.db2.gz IYRRBIXNGWLWDI-PKOBYXMFSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001074565026 1356209788 /nfs/dbraw/zinc/20/97/88/1356209788.db2.gz OBECKYGEYGFWGM-WDSOQIARSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H]1C ZINC001074878004 1356276960 /nfs/dbraw/zinc/27/69/60/1356276960.db2.gz VXCNKMZRGDVGRZ-LNLFQRSKSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458887 1356391848 /nfs/dbraw/zinc/39/18/48/1356391848.db2.gz SALREMZGPVYZGB-MOPGFXCFSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324103 1356549256 /nfs/dbraw/zinc/54/92/56/1356549256.db2.gz NLALEOYTXRDWNH-CEXWTWQISA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099297851 1363737055 /nfs/dbraw/zinc/73/70/55/1363737055.db2.gz JIUIXNQFDLDONU-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001080756026 1357733106 /nfs/dbraw/zinc/73/31/06/1357733106.db2.gz GINIMNPOTRZZQA-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001084701108 1358286125 /nfs/dbraw/zinc/28/61/25/1358286125.db2.gz OKCSXTDCZGCSTG-IPMKNSEASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853106 1358328737 /nfs/dbraw/zinc/32/87/37/1358328737.db2.gz IAPMHBYNYSMATC-GUDVDZBRSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCCCCC3)[C@H]2C1)[NH+](C)C ZINC001085035898 1358372413 /nfs/dbraw/zinc/37/24/13/1358372413.db2.gz XSLAZBVQCVHMDU-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001085284542 1358451608 /nfs/dbraw/zinc/45/16/08/1358451608.db2.gz ASUDHOVBIFFKID-AQNXPRMDSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001323339782 1387343866 /nfs/dbraw/zinc/34/38/66/1387343866.db2.gz JHYSTWBNALYJTK-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085639946 1358654168 /nfs/dbraw/zinc/65/41/68/1358654168.db2.gz ZDUPPXXBYSINJV-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675067 1358678390 /nfs/dbraw/zinc/67/83/90/1358678390.db2.gz KFADEHCYEOPNJJ-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085687683 1358687730 /nfs/dbraw/zinc/68/77/30/1358687730.db2.gz SUWBXQVBUBMRSI-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085854866 1358821401 /nfs/dbraw/zinc/82/14/01/1358821401.db2.gz JPNLQZUHXOEZCK-PMACEKPBSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086133783 1359005331 /nfs/dbraw/zinc/00/53/31/1359005331.db2.gz FVOFFXBPHAVIEK-ZCNNSNEGSA-N 2 0 347.547 3.092 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC001183957908 1387374839 /nfs/dbraw/zinc/37/48/39/1387374839.db2.gz GAXTYRAPQAGUIZ-INIZCTEOSA-N 2 0 330.394 3.060 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001086399392 1359087011 /nfs/dbraw/zinc/08/70/11/1359087011.db2.gz AGLVOUGKYLIKEH-MUGJNUQGSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001086700050 1359187775 /nfs/dbraw/zinc/18/77/75/1359187775.db2.gz UYIXDEABPUKVIR-GSEOLPGOSA-N 2 0 349.563 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086883133 1359220200 /nfs/dbraw/zinc/22/02/00/1359220200.db2.gz QCHCVONACUWFDU-XUVXKRRUSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001086949080 1359270237 /nfs/dbraw/zinc/27/02/37/1359270237.db2.gz QKHXRRWPDLZEIS-QGZVFWFLSA-N 2 0 343.515 3.085 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087577749 1359539229 /nfs/dbraw/zinc/53/92/29/1359539229.db2.gz HLHRDTONKFHNJC-RSPOEFSDSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)[C@@H]1CC ZINC001087593446 1359547575 /nfs/dbraw/zinc/54/75/75/1359547575.db2.gz HFQWCDCGHZMJAV-IPMKNSEASA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC(C)C)[C@@H]2CC)C1 ZINC001087696808 1359596438 /nfs/dbraw/zinc/59/64/38/1359596438.db2.gz NUMHHMZXGNJBET-GBESFXJTSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087725300 1359613349 /nfs/dbraw/zinc/61/33/49/1359613349.db2.gz KISBBCVFCZXPDM-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1CCCCC1 ZINC001087726198 1359614003 /nfs/dbraw/zinc/61/40/03/1359614003.db2.gz WBSDONXXKMWVGW-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CCCC1CCCC1 ZINC001087726760 1359614629 /nfs/dbraw/zinc/61/46/29/1359614629.db2.gz RJHAKAGTMIAWQC-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762575 1359632492 /nfs/dbraw/zinc/63/24/92/1359632492.db2.gz BYUGLASKUMZOMO-RBUKOAKNSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129932 1359767908 /nfs/dbraw/zinc/76/79/08/1359767908.db2.gz NBBYLVHBNBOYMV-ZCNNSNEGSA-N 2 0 349.563 3.077 20 0 EGADRP Cc1c(C(=O)N2CCCCC[C@@H]([NH2+]CC(C)C)C2)ccc2c[nH+]cn21 ZINC001088337728 1359832686 /nfs/dbraw/zinc/83/26/86/1359832686.db2.gz MOISPMBEQIANTQ-QGZVFWFLSA-N 2 0 342.487 3.273 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC)C1 ZINC001088411906 1359883435 /nfs/dbraw/zinc/88/34/35/1359883435.db2.gz SUYNBKIQBAETJE-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CC1CCCCC1 ZINC001088708104 1360016336 /nfs/dbraw/zinc/01/63/36/1360016336.db2.gz FVZZTVOMPKEEAA-BEFAXECRSA-N 2 0 340.471 3.107 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070404 1360159176 /nfs/dbraw/zinc/15/91/76/1360159176.db2.gz CDWSHYBSEQKZGO-WBVHZDCISA-N 2 0 335.492 3.114 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001089235740 1360274396 /nfs/dbraw/zinc/27/43/96/1360274396.db2.gz BNEMWMLXEMTRLP-UUKMXZOPSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001089257663 1360287974 /nfs/dbraw/zinc/28/79/74/1360287974.db2.gz RXXFZPLZZAZXNS-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333642 1360347447 /nfs/dbraw/zinc/34/74/47/1360347447.db2.gz BMNJSPFOWBXHNK-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336512 1360349833 /nfs/dbraw/zinc/34/98/33/1360349833.db2.gz UWMFXISACYMELD-RBUKOAKNSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089405766 1360404462 /nfs/dbraw/zinc/40/44/62/1360404462.db2.gz DULYYXHKRWICDU-QZTJIDSGSA-N 2 0 337.552 3.265 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488144 1360467711 /nfs/dbraw/zinc/46/77/11/1360467711.db2.gz REJIBEGJKKCZMJ-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510497 1360481415 /nfs/dbraw/zinc/48/14/15/1360481415.db2.gz VGVSQBLKGBJBSJ-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540181 1360497610 /nfs/dbraw/zinc/49/76/10/1360497610.db2.gz SFERKKBIHXEUDE-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089564508 1360511614 /nfs/dbraw/zinc/51/16/14/1360511614.db2.gz ARKMNEZYTOKJHI-RTBURBONSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089564870 1360511736 /nfs/dbraw/zinc/51/17/36/1360511736.db2.gz KGZBXTDAJYEUDK-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001089617491 1360538235 /nfs/dbraw/zinc/53/82/35/1360538235.db2.gz AFRSGUWOVONVQQ-RTBURBONSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649460 1360562758 /nfs/dbraw/zinc/56/27/58/1360562758.db2.gz JIFSYKWJUPZLHD-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091026283 1360982243 /nfs/dbraw/zinc/98/22/43/1360982243.db2.gz LHCKXSQNHZZUQX-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091267149 1361026344 /nfs/dbraw/zinc/02/63/44/1361026344.db2.gz AVBVZCKNAKJQFR-SOAGJPPSSA-N 2 0 347.547 3.234 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)CCCCC1 ZINC001184585214 1387497755 /nfs/dbraw/zinc/49/77/55/1387497755.db2.gz KUOQBGFRVVORAC-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184584742 1387497813 /nfs/dbraw/zinc/49/78/13/1387497813.db2.gz IHBVECQWALGZDB-LIXSYLKWSA-N 2 0 349.563 3.435 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184609913 1387500173 /nfs/dbraw/zinc/50/01/73/1387500173.db2.gz YSPPZBGAGZZYNS-GOSISDBHSA-N 2 0 337.552 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092301395 1361359097 /nfs/dbraw/zinc/35/90/97/1361359097.db2.gz GTAGXIGTFWQESN-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184736457 1387524066 /nfs/dbraw/zinc/52/40/66/1387524066.db2.gz UXZQVBMBDTZKTI-WMZOPIPTSA-N 2 0 342.487 3.212 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184723966 1387521105 /nfs/dbraw/zinc/52/11/05/1387521105.db2.gz LOBBVWBOSHIPSD-OJBOGMDESA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001094450686 1361805818 /nfs/dbraw/zinc/80/58/18/1361805818.db2.gz ZSIZXCLDQGVOGQ-DBXWQHBBSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC001094453623 1361807523 /nfs/dbraw/zinc/80/75/23/1361807523.db2.gz ZTXXOVWRJNFEEB-UYAOXDASSA-N 2 0 340.471 3.027 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001094557370 1361858499 /nfs/dbraw/zinc/85/84/99/1361858499.db2.gz UXDURKUZEWEBKI-NLWGTHIKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094950976 1361958249 /nfs/dbraw/zinc/95/82/49/1361958249.db2.gz XZMUKBAFWJIFDH-SCTDSRPQSA-N 2 0 349.563 3.265 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)nc2C)C[C@@H]1C ZINC001184852131 1387549387 /nfs/dbraw/zinc/54/93/87/1387549387.db2.gz SYZPGTSKKRPDNB-MAUKXSAKSA-N 2 0 331.504 3.495 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891454 1387556199 /nfs/dbraw/zinc/55/61/99/1387556199.db2.gz GPGDFBFBRLBDTH-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096105214 1362384616 /nfs/dbraw/zinc/38/46/16/1362384616.db2.gz WEGOPYAWIJWVHY-XWSJACJDSA-N 2 0 335.536 3.017 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001096348223 1362469729 /nfs/dbraw/zinc/46/97/29/1362469729.db2.gz GGFFGCIRKJVXBV-ZRNYENFQSA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001096611114 1362595439 /nfs/dbraw/zinc/59/54/39/1362595439.db2.gz IYMYKLQRSIYIIF-YDZRNGNQSA-N 2 0 347.547 3.019 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406409 1362975068 /nfs/dbraw/zinc/97/50/68/1362975068.db2.gz YKYKXAVXMGGUBM-ZRNYENFQSA-N 2 0 349.563 3.265 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001097854037 1363142378 /nfs/dbraw/zinc/14/23/78/1363142378.db2.gz SWBUQJPEWXLBCQ-NBYUQASBSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001098191512 1363250228 /nfs/dbraw/zinc/25/02/28/1363250228.db2.gz IXKDOTGZHLNMLU-YSTOQKLRSA-N 2 0 347.547 3.163 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001098191199 1363250571 /nfs/dbraw/zinc/25/05/71/1363250571.db2.gz APZFUJAWGHGCEW-YSTOQKLRSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098975367 1363550274 /nfs/dbraw/zinc/55/02/74/1363550274.db2.gz HBZHYGQLOHBKEH-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CC1)C2)[NH+]1CCCCCC1 ZINC001099059986 1363600247 /nfs/dbraw/zinc/60/02/47/1363600247.db2.gz SSDYUHORFHYZFF-LMNJBCLMSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001099106599 1363625306 /nfs/dbraw/zinc/62/53/06/1363625306.db2.gz JWSGMKHZNWVBCY-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C)[NH+](C)C ZINC001099125537 1363637926 /nfs/dbraw/zinc/63/79/26/1363637926.db2.gz HUFCXPYDBWAZHN-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099130195 1363642047 /nfs/dbraw/zinc/64/20/47/1363642047.db2.gz HJPNJWQHQHFDTQ-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198686 1363687454 /nfs/dbraw/zinc/68/74/54/1363687454.db2.gz DBVGWSPINPVMLR-DVBCCOPCSA-N 2 0 349.563 3.291 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CCCC1 ZINC001099213683 1363695139 /nfs/dbraw/zinc/69/51/39/1363695139.db2.gz FWIMVDCVWLCFSX-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099234528 1363705561 /nfs/dbraw/zinc/70/55/61/1363705561.db2.gz JUNHSJMREQBNBI-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099239651 1363708367 /nfs/dbraw/zinc/70/83/67/1363708367.db2.gz IKMAIDYDYQFZHR-IRXDYDNUSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1cncn1C ZINC001099324513 1363750885 /nfs/dbraw/zinc/75/08/85/1363750885.db2.gz NKXCXBHJKRRSJW-AEFFLSMTSA-N 2 0 348.535 3.006 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1cncn1C ZINC001099324517 1363751047 /nfs/dbraw/zinc/75/10/47/1363751047.db2.gz NKXCXBHJKRRSJW-WMZOPIPTSA-N 2 0 348.535 3.006 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339040 1363759103 /nfs/dbraw/zinc/75/91/03/1363759103.db2.gz CUPFOVBLUPKZPB-DUMMIQTOSA-N 2 0 335.536 3.045 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354291 1363768578 /nfs/dbraw/zinc/76/85/78/1363768578.db2.gz QHUQJTDEEUJIRH-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)(C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001100333497 1364082515 /nfs/dbraw/zinc/08/25/15/1364082515.db2.gz FNIXFHSXBRDDMX-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)(C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001100335217 1364082663 /nfs/dbraw/zinc/08/26/63/1364082663.db2.gz OVVOJZSBUHFMBR-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406720 1364104110 /nfs/dbraw/zinc/10/41/10/1364104110.db2.gz KJOHPSIVGGKKBS-BKBBAENRSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001100438192 1364114053 /nfs/dbraw/zinc/11/40/53/1364114053.db2.gz UAMUKZHRNJJYMU-LMDPOFIKSA-N 2 0 349.563 3.029 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001100460008 1364122051 /nfs/dbraw/zinc/12/20/51/1364122051.db2.gz KWFHSRJPQZQTKO-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480104 1364129087 /nfs/dbraw/zinc/12/90/87/1364129087.db2.gz CHRVQDIMLONNMR-UHFFFAOYSA-N 2 0 342.487 3.259 20 0 EGADRP CC(C)(C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001100562125 1364163729 /nfs/dbraw/zinc/16/37/29/1364163729.db2.gz BKQCOEUVBZSTAX-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)CC1 ZINC001100618595 1364192320 /nfs/dbraw/zinc/19/23/20/1364192320.db2.gz PCQBNHGMPLDDPF-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001100647139 1364203080 /nfs/dbraw/zinc/20/30/80/1364203080.db2.gz FJLPQWXRLJEKRC-CTWPCTMYSA-N 2 0 337.552 3.027 20 0 EGADRP C[C@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001100681252 1364216389 /nfs/dbraw/zinc/21/63/89/1364216389.db2.gz DHXSWYBKPBXOLQ-MUYFXNHWSA-N 2 0 345.531 3.210 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100831252 1364282368 /nfs/dbraw/zinc/28/23/68/1364282368.db2.gz NKDSQEMZEINRSA-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)c1ccccc1F ZINC001100887783 1364313532 /nfs/dbraw/zinc/31/35/32/1364313532.db2.gz RLSSCUKUIOMCJY-KLAILNCOSA-N 2 0 349.494 3.103 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037606 1364384421 /nfs/dbraw/zinc/38/44/21/1364384421.db2.gz UOSNTHQFZWBFPF-ACBHZAAOSA-N 2 0 337.552 3.027 20 0 EGADRP CC1(C)CC(C[NH2+]C2CC(CNC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001101067014 1364398310 /nfs/dbraw/zinc/39/83/10/1364398310.db2.gz YLMBHTRODWFSIG-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001185318192 1387681312 /nfs/dbraw/zinc/68/13/12/1387681312.db2.gz USYZZJRZAUGPDC-MOPGFXCFSA-N 2 0 339.568 3.229 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230761 1364476620 /nfs/dbraw/zinc/47/66/20/1364476620.db2.gz IGGQKDVHICOCES-DYXWJJEUSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474363 1364575567 /nfs/dbraw/zinc/57/55/67/1364575567.db2.gz VWHWCAAZGQZQGM-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541800 1364607341 /nfs/dbraw/zinc/60/73/41/1364607341.db2.gz WBPRYKVWYZWNED-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1)[NH+](CC)CC ZINC001101574235 1364628833 /nfs/dbraw/zinc/62/88/33/1364628833.db2.gz YNPPPMXIBOVBTJ-GOSISDBHSA-N 2 0 339.568 3.370 20 0 EGADRP CC(C)(C[NH2+]CC1CC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001101596181 1364646475 /nfs/dbraw/zinc/64/64/75/1364646475.db2.gz MGPXSWSJUOJELC-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059515 1364828211 /nfs/dbraw/zinc/82/82/11/1364828211.db2.gz SLTFXBUFCNDDBL-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114856 1364866709 /nfs/dbraw/zinc/86/67/09/1364866709.db2.gz HATZVBHWNQPGAJ-JCHUFIKGSA-N 2 0 349.563 3.147 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375690 1365029640 /nfs/dbraw/zinc/02/96/40/1365029640.db2.gz XEFUMCFYHJRRPP-IAGOWNOFSA-N 2 0 339.568 3.085 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598879 1365131507 /nfs/dbraw/zinc/13/15/07/1365131507.db2.gz DZNMEQJTKLYEBW-SBUVDCAVSA-N 2 0 349.563 3.293 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600069 1365131729 /nfs/dbraw/zinc/13/17/29/1365131729.db2.gz KPEHHRRFLSUEQP-FBYXPACISA-N 2 0 349.563 3.291 20 0 EGADRP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001185525966 1387738885 /nfs/dbraw/zinc/73/88/85/1387738885.db2.gz IHNLRYYYPKUXCZ-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185527107 1387739730 /nfs/dbraw/zinc/73/97/30/1387739730.db2.gz PJOHVTHBHUXMOP-KAGICYHLSA-N 2 0 337.552 3.149 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103148100 1365409496 /nfs/dbraw/zinc/40/94/96/1365409496.db2.gz OIAAMURBKJTBSS-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103148101 1365409616 /nfs/dbraw/zinc/40/96/16/1365409616.db2.gz OIAAMURBKJTBSS-JCHUFIKGSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103375112 1365523285 /nfs/dbraw/zinc/52/32/85/1365523285.db2.gz ZRTRJOGGTWFNMC-JNVNVXKGSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663766 1365711921 /nfs/dbraw/zinc/71/19/21/1365711921.db2.gz SXNVQEYCTKANGC-FAPWYTRCSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104265060 1365972188 /nfs/dbraw/zinc/97/21/88/1365972188.db2.gz RGTDJTIPTMEHRD-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001104362658 1365988234 /nfs/dbraw/zinc/98/82/34/1365988234.db2.gz BNYMHPGANSOJFZ-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104362777 1365988253 /nfs/dbraw/zinc/98/82/53/1365988253.db2.gz IXCMANRAXFOUCD-IAGOWNOFSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185749202 1387789062 /nfs/dbraw/zinc/78/90/62/1387789062.db2.gz AUMUSWUIDHYIRJ-MSOLQXFVSA-N 2 0 345.531 3.236 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185763535 1387793358 /nfs/dbraw/zinc/79/33/58/1387793358.db2.gz SQAHNGPOMVDMRQ-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001185778279 1387796455 /nfs/dbraw/zinc/79/64/55/1387796455.db2.gz HWPCHUUQLCDECF-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001185778343 1387797335 /nfs/dbraw/zinc/79/73/35/1387797335.db2.gz IDFKFXOXPBRDPU-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395590 1366444017 /nfs/dbraw/zinc/44/40/17/1366444017.db2.gz APOFHJAAUKYEER-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518298 1366505490 /nfs/dbraw/zinc/50/54/90/1366505490.db2.gz WFBWLPRLCSJKND-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544323 1366521337 /nfs/dbraw/zinc/52/13/37/1366521337.db2.gz HGWXRODNHQBGMH-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1)[NH+](C)C ZINC001105544634 1366521498 /nfs/dbraw/zinc/52/14/98/1366521498.db2.gz OXFLTJPZISKDNO-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001105556820 1366529621 /nfs/dbraw/zinc/52/96/21/1366529621.db2.gz QLKZKTBUQCEMQO-GBESFXJTSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563067 1366532273 /nfs/dbraw/zinc/53/22/73/1366532273.db2.gz CDKNQTYQMSMGTP-MOPGFXCFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105568086 1366536461 /nfs/dbraw/zinc/53/64/61/1366536461.db2.gz FEYHENGSEICKNA-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575117 1366539904 /nfs/dbraw/zinc/53/99/04/1366539904.db2.gz RMYATHFEQMJTFQ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105579602 1366542792 /nfs/dbraw/zinc/54/27/92/1366542792.db2.gz SCJLKGLDNFMMSD-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579808 1366542828 /nfs/dbraw/zinc/54/28/28/1366542828.db2.gz WLXKJZHGLZZXHZ-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151438 1366614578 /nfs/dbraw/zinc/61/45/78/1366614578.db2.gz RZLWVLASPDFRKT-QVZWHDGZSA-N 2 0 349.563 3.147 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249287 1366633707 /nfs/dbraw/zinc/63/37/07/1366633707.db2.gz FVNWESOMOQZSNV-JCHUFIKGSA-N 2 0 349.563 3.290 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001106378313 1366675966 /nfs/dbraw/zinc/67/59/66/1366675966.db2.gz LJNFNJPWAOFUSO-CRAIPNDOSA-N 2 0 342.487 3.068 20 0 EGADRP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001106869142 1366820439 /nfs/dbraw/zinc/82/04/39/1366820439.db2.gz STFATAWGIMOACZ-RLLQIKCJSA-N 2 0 345.531 3.164 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1)c1ccccc1 ZINC001106868118 1366820602 /nfs/dbraw/zinc/82/06/02/1366820602.db2.gz AUNGBYQYOBHXAK-MISYRCLQSA-N 2 0 345.531 3.020 20 0 EGADRP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324943749 1387839262 /nfs/dbraw/zinc/83/92/62/1387839262.db2.gz LMKGJFJSIZCOKA-HXUWFJFHSA-N 2 0 342.487 3.275 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)(C)C)CC2 ZINC001107329416 1366930417 /nfs/dbraw/zinc/93/04/17/1366930417.db2.gz TVPLKJKXMOEWMN-DBXWQHBBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)C)CC2)[NH+](C)C ZINC001107450718 1366968050 /nfs/dbraw/zinc/96/80/50/1366968050.db2.gz LQPGWUNQINUBIY-QWFCFKBJSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450799 1366968619 /nfs/dbraw/zinc/96/86/19/1366968619.db2.gz NLUXZLRGWKZHKT-QKNQBKEWSA-N 2 0 349.563 3.412 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546924 1367037646 /nfs/dbraw/zinc/03/76/46/1367037646.db2.gz TZQUHLRXICSRBV-BYZPHCBNSA-N 2 0 347.547 3.045 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645259 1367090883 /nfs/dbraw/zinc/09/08/83/1367090883.db2.gz TVOPMWYXWJPQAK-TZIWHRDSSA-N 2 0 349.563 3.413 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001324958630 1387852320 /nfs/dbraw/zinc/85/23/20/1387852320.db2.gz VPVUYRQKFQWCJC-OAQYLSRUSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001189913463 1367130703 /nfs/dbraw/zinc/13/07/03/1367130703.db2.gz RIRPPNBONTUNPW-YZGWKJHDSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCC3CC3)C2)CC1 ZINC001324971975 1387859277 /nfs/dbraw/zinc/85/92/77/1387859277.db2.gz MNEVBHYXQWPUHA-NRFANRHFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565416 1367201885 /nfs/dbraw/zinc/20/18/85/1367201885.db2.gz NYMZQAYXPGUWNT-SQNIBIBYSA-N 2 0 335.536 3.163 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351387 1367235415 /nfs/dbraw/zinc/23/54/15/1367235415.db2.gz XEWQODHEFZSWCY-SLFFLAALSA-N 2 0 343.515 3.011 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190442869 1367266435 /nfs/dbraw/zinc/26/64/35/1367266435.db2.gz BYOXZGIGSPOENM-JTGQJZMRSA-N 2 0 349.544 3.312 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCC1CCCCC1)c1ccccc1 ZINC001190708849 1367332960 /nfs/dbraw/zinc/33/29/60/1367332960.db2.gz XLYIQNCXWNQQFZ-FQEVSTJZSA-N 2 0 345.531 3.308 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744597 1367340853 /nfs/dbraw/zinc/34/08/53/1367340853.db2.gz SJXLOBIFDLATDE-HMTUNPETSA-N 2 0 335.536 3.140 20 0 EGADRP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743588 1367341363 /nfs/dbraw/zinc/34/13/63/1367341363.db2.gz LUWFPPYOFIUOSJ-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001191079613 1367419158 /nfs/dbraw/zinc/41/91/58/1367419158.db2.gz BOZFQILHXHFXGU-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001191223780 1367449829 /nfs/dbraw/zinc/44/98/29/1367449829.db2.gz PYHZQOBHIDUDNS-VQTJNVASSA-N 2 0 338.511 3.416 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1C ZINC001110016335 1367459622 /nfs/dbraw/zinc/45/96/22/1367459622.db2.gz JCBGDALEOFTXOZ-HNJRGHQBSA-N 2 0 343.515 3.119 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148248 1367525926 /nfs/dbraw/zinc/52/59/26/1367525926.db2.gz QDDJLUSQTDLOMO-QYZOEREBSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550761 1367526005 /nfs/dbraw/zinc/52/60/05/1367526005.db2.gz GZCYABBPECEETJ-IBGZPJMESA-N 2 0 337.552 3.364 20 0 EGADRP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560258 1367527879 /nfs/dbraw/zinc/52/78/79/1367527879.db2.gz CJUZRPPTVJXVMM-DKFQHHCZSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719637 1367555240 /nfs/dbraw/zinc/55/52/40/1367555240.db2.gz WJEUMEQWIJETKF-FHWLQOOXSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001108776295 1367590399 /nfs/dbraw/zinc/59/03/99/1367590399.db2.gz VYIYYQHKGBOFIS-IHPCNDPISA-N 2 0 343.515 3.131 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1)[NH+](CC)CC ZINC001192326882 1367754073 /nfs/dbraw/zinc/75/40/73/1367754073.db2.gz UOHZPVQDLWBHLQ-ROUUACIJSA-N 2 0 325.541 3.076 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCCC(C)C)C1 ZINC001192905874 1367900928 /nfs/dbraw/zinc/90/09/28/1367900928.db2.gz GZGHXWHSINIHLV-IBGZPJMESA-N 2 0 339.568 3.467 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001192906112 1367901817 /nfs/dbraw/zinc/90/18/17/1367901817.db2.gz ILTCYBRAQDNATK-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C[NH+](CC)CC)C2)cc1 ZINC001192968972 1367912829 /nfs/dbraw/zinc/91/28/29/1367912829.db2.gz FWJAQDDEDLFKCE-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193279986 1367988577 /nfs/dbraw/zinc/98/85/77/1367988577.db2.gz SDUURUBPXONGRI-MOPGFXCFSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560821 1368062743 /nfs/dbraw/zinc/06/27/43/1368062743.db2.gz VHGRLZVMBSDNDL-UYAOXDASSA-N 2 0 345.531 3.321 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001193600280 1368069822 /nfs/dbraw/zinc/06/98/22/1368069822.db2.gz BPQYTEAXQGXTBJ-CTWPCTMYSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193609781 1368073365 /nfs/dbraw/zinc/07/33/65/1368073365.db2.gz IVKFZNHWAIOYIP-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934377 1368105039 /nfs/dbraw/zinc/10/50/39/1368105039.db2.gz BDSMAYKUYQPUOL-WTGUMLROSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110942203 1368110485 /nfs/dbraw/zinc/11/04/85/1368110485.db2.gz BAJSTVJTNCFPIF-QTMHVTGLSA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001111017907 1368144038 /nfs/dbraw/zinc/14/40/38/1368144038.db2.gz GHSLBHHGOJRZIZ-MKXGPGLRSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025055 1368145592 /nfs/dbraw/zinc/14/55/92/1368145592.db2.gz JXALZQZIOQHFNW-MANSERQUSA-N 2 0 349.563 3.122 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111128028 1368161770 /nfs/dbraw/zinc/16/17/70/1368161770.db2.gz RNYKREOFKAEUKS-HPBDAGMYSA-N 2 0 346.519 3.136 20 0 EGADRP C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001194029122 1368169600 /nfs/dbraw/zinc/16/96/00/1368169600.db2.gz AVDQFYVTZYOUME-PXNSSMCTSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081930 1368180319 /nfs/dbraw/zinc/18/03/19/1368180319.db2.gz ZFBQEIMAZIGSNQ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH+](C)[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001194293772 1368225865 /nfs/dbraw/zinc/22/58/65/1368225865.db2.gz JAAMSMWVPYQCDK-OALUTQOASA-N 2 0 345.531 3.237 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1 ZINC001111307257 1368261583 /nfs/dbraw/zinc/26/15/83/1368261583.db2.gz FTNSAQUDDVBBPQ-NBYUQASBSA-N 2 0 343.515 3.201 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001111312454 1368263333 /nfs/dbraw/zinc/26/33/33/1368263333.db2.gz HZBZJYKITAEYMB-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001111454328 1368310175 /nfs/dbraw/zinc/31/01/75/1368310175.db2.gz WXTDUMZLFWDEIR-AQNXPRMDSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785801 1368490437 /nfs/dbraw/zinc/49/04/37/1368490437.db2.gz VYLYZXUYRMCTTL-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915281 1368555698 /nfs/dbraw/zinc/55/56/98/1368555698.db2.gz WSRUAOMDYZUCAQ-CFQKCQFKSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163469 1368559447 /nfs/dbraw/zinc/55/94/47/1368559447.db2.gz OTBDRRBEPBZWSC-VOFKWLDRSA-N 2 0 335.536 3.140 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)C)C2 ZINC001111950997 1368571440 /nfs/dbraw/zinc/57/14/40/1368571440.db2.gz NPZBGAYXDGENIE-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004293 1368607846 /nfs/dbraw/zinc/60/78/46/1368607846.db2.gz UXEDGBBFKUYACK-CKXGLSNISA-N 2 0 347.547 3.189 20 0 EGADRP CCc1ccccc1[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001325367349 1387952392 /nfs/dbraw/zinc/95/23/92/1387952392.db2.gz UDEUICXMHURATL-WOJBJXKFSA-N 2 0 343.515 3.056 20 0 EGADRP CC[NH+](CC)CCCNC(=S)Nc1ccccc1C[NH+]1CCCC1 ZINC001196686699 1368662873 /nfs/dbraw/zinc/66/28/73/1368662873.db2.gz QKVRZPSKIAPGIE-UHFFFAOYSA-N 2 0 348.560 3.301 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196717924 1368669237 /nfs/dbraw/zinc/66/92/37/1368669237.db2.gz GKUNLZHNAONMKP-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396833 1368805755 /nfs/dbraw/zinc/80/57/55/1368805755.db2.gz QKGVQDJGCGJJMQ-UNQUKWGNSA-N 2 0 347.547 3.284 20 0 EGADRP CCC(CC)C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484648 1368824476 /nfs/dbraw/zinc/82/44/76/1368824476.db2.gz HNZUODMNMGVNSH-LJQANCHMSA-N 2 0 339.568 3.323 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197809788 1368903836 /nfs/dbraw/zinc/90/38/36/1368903836.db2.gz INEBUUNWERLDPS-HEVSSNLLSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529935 1368915894 /nfs/dbraw/zinc/91/58/94/1368915894.db2.gz VZELIMSBKUQJKS-DYXWJJEUSA-N 2 0 349.563 3.127 20 0 EGADRP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001112540050 1368920615 /nfs/dbraw/zinc/92/06/15/1368920615.db2.gz CKPVUNCOVVUHFY-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001112546725 1368922479 /nfs/dbraw/zinc/92/24/79/1368922479.db2.gz ATDJDDNXCKFRDS-ICSRJNTNSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563042 1368929146 /nfs/dbraw/zinc/92/91/46/1368929146.db2.gz CEVMFXDSACQLSH-ZJOUEHCJSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605936 1387984881 /nfs/dbraw/zinc/98/48/81/1387984881.db2.gz WMACOWWLXLRHPA-IBGZPJMESA-N 2 0 349.563 3.245 20 0 EGADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001199722721 1369261400 /nfs/dbraw/zinc/26/14/00/1369261400.db2.gz WVFLAQCFCDKYPH-XLIONFOSSA-N 2 0 332.532 3.209 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)N1CC[NH+](C)CC1 ZINC001200267322 1369338361 /nfs/dbraw/zinc/33/83/61/1369338361.db2.gz FMCVMJBGAOPUDV-RBUKOAKNSA-N 2 0 345.575 3.388 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200507897 1369383183 /nfs/dbraw/zinc/38/31/83/1369383183.db2.gz UCYJWQIASWDHOB-SFHVURJKSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402828 1369400952 /nfs/dbraw/zinc/40/09/52/1369400952.db2.gz GZSOGOKKVCMYCK-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001113432092 1369423430 /nfs/dbraw/zinc/42/34/30/1369423430.db2.gz KCWSYUFMVBTJDU-SFHVURJKSA-N 2 0 345.531 3.188 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)Oc1cccc(F)c1 ZINC001200802005 1369431711 /nfs/dbraw/zinc/43/17/11/1369431711.db2.gz DMSOJWAHSOXOCX-MRXNPFEDSA-N 2 0 346.446 3.323 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001113561517 1369494788 /nfs/dbraw/zinc/49/47/88/1369494788.db2.gz FYKIYFKTNMSJRL-MOPGFXCFSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001201231116 1369500528 /nfs/dbraw/zinc/50/05/28/1369500528.db2.gz YTQNRWJJNGIROJ-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC001201321203 1369519153 /nfs/dbraw/zinc/51/91/53/1369519153.db2.gz HNFYMCKKCSAJCS-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CC(C)C)CC2 ZINC001201471421 1369551409 /nfs/dbraw/zinc/55/14/09/1369551409.db2.gz SPVOFQQDRAJNNB-LJQANCHMSA-N 2 0 331.504 3.041 20 0 EGADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001325616883 1388011844 /nfs/dbraw/zinc/01/18/44/1388011844.db2.gz HXXXXJUHLNICSK-BCDXTJNWSA-N 2 0 335.536 3.019 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnn4ccccc34)CC2)CC1 ZINC001201607414 1369588278 /nfs/dbraw/zinc/58/82/78/1369588278.db2.gz BXHCGNBIWCGTCC-UHFFFAOYSA-N 2 0 326.488 3.467 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201618061 1369591552 /nfs/dbraw/zinc/59/15/52/1369591552.db2.gz QPPSWHHEVDSFEJ-RTWAWAEBSA-N 2 0 334.548 3.493 20 0 EGADRP Cc1ccc2nc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)ccc2c1 ZINC001201651356 1369597222 /nfs/dbraw/zinc/59/72/22/1369597222.db2.gz REKAKOKGLHZDNI-UHFFFAOYSA-N 2 0 333.439 3.434 20 0 EGADRP COc1cc(Cl)ccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201665924 1369601533 /nfs/dbraw/zinc/60/15/33/1369601533.db2.gz KOKXUFNXLNFTTO-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201751900 1369616159 /nfs/dbraw/zinc/61/61/59/1369616159.db2.gz YFXVPYQPTNJSSB-WOJBJXKFSA-N 2 0 331.504 3.185 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201838930 1369632288 /nfs/dbraw/zinc/63/22/88/1369632288.db2.gz HJSFQRDJDDSZLQ-UHFFFAOYSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001202238330 1369720818 /nfs/dbraw/zinc/72/08/18/1369720818.db2.gz CBSXMDAKGIYABR-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](CCCC(F)(F)F)CC3)cn1 ZINC001202403896 1369762675 /nfs/dbraw/zinc/76/26/75/1369762675.db2.gz ANGSBGVOMFKDOE-UHFFFAOYSA-N 2 0 344.425 3.193 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1)[NH+](C)C ZINC001202531701 1369800895 /nfs/dbraw/zinc/80/08/95/1369800895.db2.gz LRLBKCDNMYRLOH-CRLZUZNUSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001186929952 1388029795 /nfs/dbraw/zinc/02/97/95/1388029795.db2.gz BVZYHWQJYFILPX-FQEVSTJZSA-N 2 0 343.515 3.227 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186995144 1388036592 /nfs/dbraw/zinc/03/65/92/1388036592.db2.gz UYEBNNSBQPRWOO-BOXUBARPSA-N 2 0 343.515 3.010 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202991482 1369948066 /nfs/dbraw/zinc/94/80/66/1369948066.db2.gz MJVAXCRZTHRVAZ-IBGZPJMESA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1)c1ccccc1 ZINC001187034617 1388043178 /nfs/dbraw/zinc/04/31/78/1388043178.db2.gz KCKNXLXWQWMBFV-UXHICEINSA-N 2 0 343.515 3.060 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)CC1 ZINC001203042293 1369964646 /nfs/dbraw/zinc/96/46/46/1369964646.db2.gz VRXISGDOEINOED-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001114624730 1369998941 /nfs/dbraw/zinc/99/89/41/1369998941.db2.gz XPAZIJJNJBBANU-NXEFXDMPSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001203160233 1370005246 /nfs/dbraw/zinc/00/52/46/1370005246.db2.gz WLPUJYKZAANQJM-AATRIKPKSA-N 2 0 335.536 3.044 20 0 EGADRP Cn1cccc1C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001203260635 1370046767 /nfs/dbraw/zinc/04/67/67/1370046767.db2.gz YXXKJTCTPSKCHJ-UHFFFAOYSA-N 2 0 338.499 3.297 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034288 1388043454 /nfs/dbraw/zinc/04/34/54/1388043454.db2.gz CGRXESMLUZELMT-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1ccc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)o1 ZINC001203292153 1370065407 /nfs/dbraw/zinc/06/54/07/1370065407.db2.gz MJSBVXNSZRMEID-HBFSDRIKSA-N 2 0 342.487 3.158 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312983 1370078244 /nfs/dbraw/zinc/07/82/44/1370078244.db2.gz MBSZTALMZRYQKJ-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330776 1370084593 /nfs/dbraw/zinc/08/45/93/1370084593.db2.gz SFRIROBYOUHZHE-UCHJRYNZSA-N 2 0 335.536 3.044 20 0 EGADRP CCc1ccccc1C[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407455 1370114723 /nfs/dbraw/zinc/11/47/23/1370114723.db2.gz LJJPCVSEBIVZJK-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203554449 1370167440 /nfs/dbraw/zinc/16/74/40/1370167440.db2.gz CEINVHPLVCKGSF-OALUTQOASA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577002 1370176813 /nfs/dbraw/zinc/17/68/13/1370176813.db2.gz MNLKDJRPKFEYHF-JKCVZHOFSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203606899 1370185990 /nfs/dbraw/zinc/18/59/90/1370185990.db2.gz SEOYMEAPCVGGBQ-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203629904 1370192972 /nfs/dbraw/zinc/19/29/72/1370192972.db2.gz DFXRPDOKDATRPY-PWBPZBFBSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203640880 1370197627 /nfs/dbraw/zinc/19/76/27/1370197627.db2.gz JVBASCUNGBYILF-MSOLQXFVSA-N 2 0 349.563 3.172 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641642 1370198856 /nfs/dbraw/zinc/19/88/56/1370198856.db2.gz SQQTXXDUONSMQC-IKSUFZCESA-N 2 0 335.536 3.092 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203652691 1370203081 /nfs/dbraw/zinc/20/30/81/1370203081.db2.gz WPPHHLDQTJEFIV-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770849 1370258256 /nfs/dbraw/zinc/25/82/56/1370258256.db2.gz JGUARXBQTZKVGM-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203853298 1370290155 /nfs/dbraw/zinc/29/01/55/1370290155.db2.gz PXKGUWKOYCERMC-QZTJIDSGSA-N 2 0 349.563 3.410 20 0 EGADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001204148319 1370390323 /nfs/dbraw/zinc/39/03/23/1370390323.db2.gz ITGUCBALWCXFTQ-RBUKOAKNSA-N 2 0 330.472 3.312 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)cc1 ZINC001204270353 1370428225 /nfs/dbraw/zinc/42/82/25/1370428225.db2.gz STUPPRPVCRSLTL-INIZCTEOSA-N 2 0 338.492 3.047 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115450443 1370458305 /nfs/dbraw/zinc/45/83/05/1370458305.db2.gz ASOGNJUUAOPDFB-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450917 1370459265 /nfs/dbraw/zinc/45/92/65/1370459265.db2.gz TYZNBOWKYRTDDX-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1c(F)cccc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001204508516 1370498325 /nfs/dbraw/zinc/49/83/25/1370498325.db2.gz GRSDVCDNYLMVGH-OALUTQOASA-N 2 0 325.431 3.093 20 0 EGADRP Cc1c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC001204577061 1370520477 /nfs/dbraw/zinc/52/04/77/1370520477.db2.gz PHUHAQOGNNDZCF-WOJBJXKFSA-N 2 0 338.499 3.073 20 0 EGADRP Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)cc1C ZINC001204621813 1370532002 /nfs/dbraw/zinc/53/20/02/1370532002.db2.gz NLFGFDYYVACBBK-UHFFFAOYSA-N 2 0 335.495 3.271 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CCCC3)CCCCC2)CC[N@@H+]1C ZINC001115545114 1370541714 /nfs/dbraw/zinc/54/17/14/1370541714.db2.gz RLTHXKUYZZZEGS-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001204727570 1370556793 /nfs/dbraw/zinc/55/67/93/1370556793.db2.gz DFPNBFMYZCYDET-UHFFFAOYSA-N 3 0 341.543 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115562756 1370562183 /nfs/dbraw/zinc/56/21/83/1370562183.db2.gz JCMVQDMYCDNWPI-SFHVURJKSA-N 2 0 335.536 3.236 20 0 EGADRP [NH3+]CC[C@@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)CCO1 ZINC001204755731 1370568068 /nfs/dbraw/zinc/56/80/68/1370568068.db2.gz HTXYKSKGQHLYMK-QGZVFWFLSA-N 2 0 332.394 3.181 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)CCC1 ZINC001115571816 1370574700 /nfs/dbraw/zinc/57/47/00/1370574700.db2.gz PTPMDKJYCASYCC-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP O=C(NCC1([NH2+]CC2CC2)CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001115572998 1370575311 /nfs/dbraw/zinc/57/53/11/1370575311.db2.gz CQBUVVKVYRFURM-IBGZPJMESA-N 2 0 347.547 3.212 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582065 1370584182 /nfs/dbraw/zinc/58/41/82/1370584182.db2.gz JDBFOTSXLDPVRO-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CCC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001115648250 1370636981 /nfs/dbraw/zinc/63/69/81/1370636981.db2.gz HMXYYUAMSNAPKU-UHFFFAOYSA-N 2 0 337.552 3.460 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001115688044 1370671092 /nfs/dbraw/zinc/67/10/92/1370671092.db2.gz IOMDEDHMYNAOTQ-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001115698220 1370680257 /nfs/dbraw/zinc/68/02/57/1370680257.db2.gz VJPZOOWAMXNUQH-QRVBRYPASA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730242 1370713053 /nfs/dbraw/zinc/71/30/53/1370713053.db2.gz GUWVEULWKRFWOH-HMTUNPETSA-N 2 0 349.563 3.339 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C[C@@H]1C[NH3+] ZINC001205314357 1370719078 /nfs/dbraw/zinc/71/90/78/1370719078.db2.gz BBYFETSPFDITAK-HIFRSBDPSA-N 2 0 331.410 3.444 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001187298749 1388091368 /nfs/dbraw/zinc/09/13/68/1388091368.db2.gz NJEDMPJUEYWKPF-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115765901 1370750243 /nfs/dbraw/zinc/75/02/43/1370750243.db2.gz KYCGXIUISVVCFP-VGOKWCNXSA-N 2 0 346.519 3.353 20 0 EGADRP CC[NH+](CC)CC(=O)NCC1([NH2+]CCCC(C)C)CCCCC1 ZINC001115777304 1370760326 /nfs/dbraw/zinc/76/03/26/1370760326.db2.gz PYVOQVSVPIHLIZ-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP C[N@H+](CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1)C1CCC1 ZINC001205469364 1370765341 /nfs/dbraw/zinc/76/53/41/1370765341.db2.gz AJOFIWNTIYPODU-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205545490 1370786675 /nfs/dbraw/zinc/78/66/75/1370786675.db2.gz IAEQDVOBKBIDBL-WOJBJXKFSA-N 2 0 333.495 3.194 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001115805683 1370789288 /nfs/dbraw/zinc/78/92/88/1370789288.db2.gz BFIRVQVAOQTIMP-FPLPWBNLSA-N 2 0 337.552 3.483 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)CC1 ZINC001205559001 1370791018 /nfs/dbraw/zinc/79/10/18/1370791018.db2.gz MZCQBAGSNHLNAV-KRWDZBQOSA-N 2 0 336.842 3.383 20 0 EGADRP CCn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001205563388 1370792759 /nfs/dbraw/zinc/79/27/59/1370792759.db2.gz OMDHYDJXASHPTF-SFTDATJTSA-N 2 0 338.499 3.247 20 0 EGADRP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570956 1370795598 /nfs/dbraw/zinc/79/55/98/1370795598.db2.gz QPZVHUJPVLMRPK-HNNXBMFYSA-N 2 0 329.257 3.410 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205593881 1370803774 /nfs/dbraw/zinc/80/37/74/1370803774.db2.gz HECILECJQIUFPZ-KKHYBRAUSA-N 2 0 349.563 3.291 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001205592573 1370803809 /nfs/dbraw/zinc/80/38/09/1370803809.db2.gz WOJHBKBUODXSAU-HXUWFJFHSA-N 2 0 343.446 3.314 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601802 1370806589 /nfs/dbraw/zinc/80/65/89/1370806589.db2.gz GNZRRHMSVWLFGR-GIVPXCGWSA-N 3 0 329.532 3.205 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)nc2)CC[C@H]1C[NH3+] ZINC001205625947 1370816157 /nfs/dbraw/zinc/81/61/57/1370816157.db2.gz CUEQIZJFFXWTBC-HOCLYGCPSA-N 2 0 328.435 3.090 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1OCC1CC1 ZINC001205626947 1370816861 /nfs/dbraw/zinc/81/68/61/1370816861.db2.gz KVQYTPRMCUXZKZ-QAPCUYQASA-N 2 0 332.488 3.291 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccn2)CC[C@@H]1C[NH3+] ZINC001205637816 1370822152 /nfs/dbraw/zinc/82/21/52/1370822152.db2.gz IZINTUFJFUSUJX-IEBWSBKVSA-N 2 0 339.483 3.467 20 0 EGADRP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC)cc1Cl ZINC001205638627 1370822655 /nfs/dbraw/zinc/82/26/55/1370822655.db2.gz QDIDOCULARNJFC-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC[C@@H]1C[NH3+] ZINC001205652302 1370828655 /nfs/dbraw/zinc/82/86/55/1370828655.db2.gz PEEVLJJWVKNCJL-CHWSQXEVSA-N 2 0 333.863 3.401 20 0 EGADRP C[C@H]1CC[N@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC[C@@H]1C[NH3+] ZINC001205652439 1370829125 /nfs/dbraw/zinc/82/91/25/1370829125.db2.gz PPYOFZIMUYPARK-NWDGAFQWSA-N 2 0 340.393 3.389 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cn2)CC[C@H]1C[NH3+] ZINC001205653775 1370830257 /nfs/dbraw/zinc/83/02/57/1370830257.db2.gz VKUQMKLILQEIRA-HKUYNNGSSA-N 2 0 339.483 3.467 20 0 EGADRP COc1ccc(-c2ccccc2)c(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205726215 1370853506 /nfs/dbraw/zinc/85/35/06/1370853506.db2.gz RAKROVQPQMETTE-OAQYLSRUSA-N 2 0 340.467 3.038 20 0 EGADRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001205735581 1370855822 /nfs/dbraw/zinc/85/58/22/1370855822.db2.gz OIZGGGIQCPIXAF-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP COc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC001326039619 1388103626 /nfs/dbraw/zinc/10/36/26/1388103626.db2.gz RYTPAMLEFWOLSX-NJDAHSKKSA-N 2 0 343.515 3.174 20 0 EGADRP COc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC001326039622 1388103642 /nfs/dbraw/zinc/10/36/42/1388103642.db2.gz RYTPAMLEFWOLSX-QHAWAJNXSA-N 2 0 343.515 3.174 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)nc1 ZINC001205900056 1370903826 /nfs/dbraw/zinc/90/38/26/1370903826.db2.gz IZPDBHJOADHLEL-OAQYLSRUSA-N 2 0 336.483 3.315 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001116449763 1370915030 /nfs/dbraw/zinc/91/50/30/1370915030.db2.gz STGXWKVDMYBMEB-IRXDYDNUSA-N 2 0 348.560 3.358 20 0 EGADRP CC[N@@H+]1CC[C@H](NCc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC001116480734 1370921610 /nfs/dbraw/zinc/92/16/10/1370921610.db2.gz QHYKYVRCOOKPNG-DOMZBBRYSA-N 2 0 326.868 3.177 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981781 1370929284 /nfs/dbraw/zinc/92/92/84/1370929284.db2.gz HCHDSAQSYLQJKX-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001205995851 1370933185 /nfs/dbraw/zinc/93/31/85/1370933185.db2.gz RDDGTVKSKROMSQ-AAEUAGOBSA-N 2 0 329.257 3.395 20 0 EGADRP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206013256 1370938121 /nfs/dbraw/zinc/93/81/21/1370938121.db2.gz QVLGNWCPZXWELP-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1Cl ZINC001206036613 1370945372 /nfs/dbraw/zinc/94/53/72/1370945372.db2.gz MFWNNVLMZTVRFV-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP Cc1nc(C)c(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001206164974 1370977490 /nfs/dbraw/zinc/97/74/90/1370977490.db2.gz GVPMNDCEEHGEKH-ZWKOTPCHSA-N 2 0 349.544 3.083 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2c(OC)cccc12 ZINC001206166639 1370977520 /nfs/dbraw/zinc/97/75/20/1370977520.db2.gz TWHRKWRHVCPJNQ-JKSUJKDBSA-N 2 0 332.419 3.118 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206175979 1370981318 /nfs/dbraw/zinc/98/13/18/1370981318.db2.gz HEIPPKZQSKJTCZ-CSHXORCISA-N 2 0 337.552 3.147 20 0 EGADRP Cn1cnc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)c1 ZINC001206222701 1370997417 /nfs/dbraw/zinc/99/74/17/1370997417.db2.gz XADLJMGMXWVGDA-UHFFFAOYSA-N 2 0 344.528 3.360 20 0 EGADRP Cc1cc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c2ccccc2[nH+]1 ZINC001206286981 1371013213 /nfs/dbraw/zinc/01/32/13/1371013213.db2.gz XTMZTLBDVZLKBT-SFHVURJKSA-N 3 0 338.499 3.055 20 0 EGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3OCC[NH+]2CCCC2)cc1 ZINC001206302213 1371015697 /nfs/dbraw/zinc/01/56/97/1371015697.db2.gz GFWKLNGAGLRYHP-WCRBZPEASA-N 2 0 328.500 3.400 20 0 EGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311585 1371017880 /nfs/dbraw/zinc/01/78/80/1371017880.db2.gz QYCNIWSYGJOFDA-INIZCTEOSA-N 2 0 341.293 3.409 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(OC)c1 ZINC001206318618 1371019894 /nfs/dbraw/zinc/01/98/94/1371019894.db2.gz SAHDJOSJNCTBRI-KRWDZBQOSA-N 2 0 326.868 3.308 20 0 EGADRP Cc1c(Br)cncc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318644 1371020533 /nfs/dbraw/zinc/02/05/33/1371020533.db2.gz SGLXHKPRLKHHFI-HNNXBMFYSA-N 2 0 326.282 3.103 20 0 EGADRP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206327072 1371023043 /nfs/dbraw/zinc/02/30/43/1371023043.db2.gz RYTVJALMALPAKU-GOSISDBHSA-N 2 0 338.879 3.468 20 0 EGADRP COC(=O)CCCCCCCCC[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001206336745 1371026351 /nfs/dbraw/zinc/02/63/51/1371026351.db2.gz OLQPIYKXSZTIPV-GOSISDBHSA-N 2 0 330.488 3.433 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1-n1cnc(C)c1 ZINC001206563842 1371095562 /nfs/dbraw/zinc/09/55/62/1371095562.db2.gz IHBHJCFYXMRQBS-FQEVSTJZSA-N 2 0 342.487 3.140 20 0 EGADRP CC(C)[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206581507 1371099468 /nfs/dbraw/zinc/09/94/68/1371099468.db2.gz JOIVTUHGFHIDTD-FQEVSTJZSA-N 3 0 347.547 3.370 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587284 1371101127 /nfs/dbraw/zinc/10/11/27/1371101127.db2.gz COJQVZNMAGSECW-UHFFFAOYSA-N 2 0 343.515 3.156 20 0 EGADRP COc1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001206636686 1371115542 /nfs/dbraw/zinc/11/55/42/1371115542.db2.gz GDVTVHGUBVRXDC-UHFFFAOYSA-N 2 0 341.455 3.171 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001206649249 1371120015 /nfs/dbraw/zinc/12/00/15/1371120015.db2.gz RULAVGXMQRVDDZ-INIZCTEOSA-N 2 0 325.456 3.318 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(-c2ccccc2)cn1 ZINC001206805188 1371175159 /nfs/dbraw/zinc/17/51/59/1371175159.db2.gz ASIHWZSPFZKZNC-HZPDHXFCSA-N 2 0 325.456 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001206889351 1371208786 /nfs/dbraw/zinc/20/87/86/1371208786.db2.gz NOUVCCKVJYFSPE-SFHVURJKSA-N 2 0 345.531 3.308 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952447 1371243512 /nfs/dbraw/zinc/24/35/12/1371243512.db2.gz OZGGOUNJRCDNBU-PRPIBZDOSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206954547 1371244702 /nfs/dbraw/zinc/24/47/02/1371244702.db2.gz MUDRONPZGVTUGM-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CCn1ccnc1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001207141699 1371308133 /nfs/dbraw/zinc/30/81/33/1371308133.db2.gz OWSFCBGOHQCYMI-GOSISDBHSA-N 2 0 342.487 3.373 20 0 EGADRP CC1=CC[C@H](CC[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1(C)C ZINC001207277809 1371347879 /nfs/dbraw/zinc/34/78/79/1371347879.db2.gz VWFSYIQCHURJGK-GOSISDBHSA-N 2 0 347.547 3.031 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288202 1371351126 /nfs/dbraw/zinc/35/11/26/1371351126.db2.gz JIXFKIXRCRBXNO-UXHICEINSA-N 3 0 329.532 3.028 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC001207287455 1371351567 /nfs/dbraw/zinc/35/15/67/1371351567.db2.gz DWYPWIBOFHIMAR-FQEVSTJZSA-N 2 0 329.532 3.269 20 0 EGADRP C[C@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001207288046 1371351628 /nfs/dbraw/zinc/35/16/28/1371351628.db2.gz ZLLHNCYFYYKALW-GHTZIAJQSA-N 2 0 330.516 3.382 20 0 EGADRP FC1CCN(C2C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001207292513 1371352417 /nfs/dbraw/zinc/35/24/17/1371352417.db2.gz RVHWDDWESZPADP-UHFFFAOYSA-N 2 0 345.506 3.017 20 0 EGADRP C[N@H+](C1CC1)C1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207294960 1371353664 /nfs/dbraw/zinc/35/36/64/1371353664.db2.gz XIKFVMDKRLWWRO-UHFFFAOYSA-N 3 0 341.543 3.457 20 0 EGADRP CN1CCC([N@@H+](Cc2ccc(F)cc2)CC2CC[NH+](C)CC2)CC1 ZINC001207401040 1371384747 /nfs/dbraw/zinc/38/47/47/1371384747.db2.gz KPCNCRJENHMRIJ-UHFFFAOYSA-N 2 0 333.495 3.064 20 0 EGADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435228 1371396004 /nfs/dbraw/zinc/39/60/04/1371396004.db2.gz KNTMNISGOGWXOQ-YZGWKJHDSA-N 2 0 347.572 3.280 20 0 EGADRP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1CC1CC[NH2+]CC1 ZINC001207441710 1371396570 /nfs/dbraw/zinc/39/65/70/1371396570.db2.gz LGNSQVNVPPFDQI-MOPGFXCFSA-N 2 0 330.472 3.145 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCC[N@@H+](CC4CC[NH2+]CC4)C3)CC2)cc1 ZINC001207442320 1371396742 /nfs/dbraw/zinc/39/67/42/1371396742.db2.gz YDXSSNXMHHUYBE-UHFFFAOYSA-N 3 0 341.543 3.364 20 0 EGADRP COc1ccccc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207456948 1371400484 /nfs/dbraw/zinc/40/04/84/1371400484.db2.gz ZEGBYZBEEKPCTR-OYRHEFFESA-N 2 0 336.479 3.302 20 0 EGADRP Cc1cc(C)nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC001119778029 1371403906 /nfs/dbraw/zinc/40/39/06/1371403906.db2.gz WPCSLZVBNQVXFG-UHFFFAOYSA-N 2 0 331.504 3.023 20 0 EGADRP C[NH+]1CCC(CCN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001207482042 1371409437 /nfs/dbraw/zinc/40/94/37/1371409437.db2.gz RJXMMXYJXKKIBU-YADHBBJMSA-N 2 0 341.543 3.315 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001207484090 1371409552 /nfs/dbraw/zinc/40/95/52/1371409552.db2.gz NSHSSZRWOFLDNK-UHFFFAOYSA-N 3 0 345.531 3.299 20 0 EGADRP COc1cccc(O[C@H]2CCC[N@H+](CCC3CC[NH+](C)CC3)C2)c1 ZINC001207483038 1371410249 /nfs/dbraw/zinc/41/02/49/1371410249.db2.gz CETNRYJGHOVORG-FQEVSTJZSA-N 2 0 332.488 3.270 20 0 EGADRP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207485663 1371410497 /nfs/dbraw/zinc/41/04/97/1371410497.db2.gz ZVYBTFSDGAUJSE-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP CCCSC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001119948680 1371429999 /nfs/dbraw/zinc/42/99/99/1371429999.db2.gz LIMLOEARMALWBM-INIZCTEOSA-N 2 0 336.545 3.265 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541069 1371430424 /nfs/dbraw/zinc/43/04/24/1371430424.db2.gz RSXJWUXTFDSMFD-QRTFGMIHSA-N 2 0 335.536 3.042 20 0 EGADRP CCC[NH2+]C1(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CCCCC1 ZINC001119989074 1371443880 /nfs/dbraw/zinc/44/38/80/1371443880.db2.gz FNPMEINALLNWDT-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)c2c[nH+]ccc2N(C)C)CCCCC1 ZINC001120021166 1371458703 /nfs/dbraw/zinc/45/87/03/1371458703.db2.gz OUKVSFJHQCLRBC-UHFFFAOYSA-N 2 0 346.519 3.216 20 0 EGADRP CC1CC(C[NH2+]C2(CNC(=O)CCCC[NH+](C)C)CCCCC2)C1 ZINC001120032059 1371463196 /nfs/dbraw/zinc/46/31/96/1371463196.db2.gz BMPUWHFNTBLWJA-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120189479 1371502872 /nfs/dbraw/zinc/50/28/72/1371502872.db2.gz KJLUYRHOJNETLU-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120189650 1371503369 /nfs/dbraw/zinc/50/33/69/1371503369.db2.gz MXUCQMBZBKLVCZ-QZTJIDSGSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207984 1371504930 /nfs/dbraw/zinc/50/49/30/1371504930.db2.gz PEOXNXVBBMWPLR-UHFFFAOYSA-N 2 0 325.541 3.316 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207987969 1371560602 /nfs/dbraw/zinc/56/06/02/1371560602.db2.gz CJNGARULKJXYPP-FOVLHFFESA-N 2 0 340.471 3.131 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048368 1371579550 /nfs/dbraw/zinc/57/95/50/1371579550.db2.gz HEZVJDKXBYYIFG-OOFWQKGWSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048163 1371579904 /nfs/dbraw/zinc/57/99/04/1371579904.db2.gz BYBVMQFTMMQLTN-RBUKOAKNSA-N 2 0 347.547 3.188 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073204 1371588157 /nfs/dbraw/zinc/58/81/57/1371588157.db2.gz FEOWXRTWPWVGSE-OZHPBFKBSA-N 2 0 335.536 3.044 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001208107618 1371596887 /nfs/dbraw/zinc/59/68/87/1371596887.db2.gz QPPKRXKYAZZWNN-UHFFFAOYSA-N 3 0 345.531 3.299 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208111079 1371597455 /nfs/dbraw/zinc/59/74/55/1371597455.db2.gz BBGVZLLPYKFYDV-QFIPXVFZSA-N 3 0 341.543 3.316 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001208116245 1371600333 /nfs/dbraw/zinc/60/03/33/1371600333.db2.gz SIBDRBWQSRZWOK-HOTGVXAUSA-N 2 0 333.907 3.335 20 0 EGADRP C[C@@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@]1(O)C(F)(F)F ZINC001208185223 1371625343 /nfs/dbraw/zinc/62/53/43/1371625343.db2.gz XQABHMMBPPLNRJ-GDBMZVCRSA-N 2 0 336.442 3.134 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCN(CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208186638 1371626846 /nfs/dbraw/zinc/62/68/46/1371626846.db2.gz XECQXUOTSSRUOG-LJQANCHMSA-N 2 0 329.532 3.487 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258132 1371684822 /nfs/dbraw/zinc/68/48/22/1371684822.db2.gz AYQYQFQYKQRUIW-MRXNPFEDSA-N 2 0 337.533 3.194 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208280007 1371696534 /nfs/dbraw/zinc/69/65/34/1371696534.db2.gz XHODLDFIXRHPEF-LXORQPIJSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001208330646 1371719335 /nfs/dbraw/zinc/71/93/35/1371719335.db2.gz BNSVPZPKMUFSKQ-PMACEKPBSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460135 1371775388 /nfs/dbraw/zinc/77/53/88/1371775388.db2.gz OWJLIVUYFSIDCP-KRWDZBQOSA-N 2 0 335.536 3.186 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208467750 1371779907 /nfs/dbraw/zinc/77/99/07/1371779907.db2.gz TYJHEAXKQZKLPH-VGOKWCNXSA-N 2 0 340.471 3.193 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475180 1371782076 /nfs/dbraw/zinc/78/20/76/1371782076.db2.gz SFDNCVBFKXLSQY-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208592362 1371831689 /nfs/dbraw/zinc/83/16/89/1371831689.db2.gz TWWBQQZBXRYNIN-SFTDATJTSA-N 2 0 329.532 3.457 20 0 EGADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC001208612804 1371839829 /nfs/dbraw/zinc/83/98/29/1371839829.db2.gz OEFAZMIGCNOQCG-OAQYLSRUSA-N 3 0 329.532 3.172 20 0 EGADRP C[N@@H+]1CCC[C@@H](CN2CCC[C@H]([NH+](Cc3ccccc3)C3CC3)C2)C1 ZINC001208615208 1371841246 /nfs/dbraw/zinc/84/12/46/1371841246.db2.gz HELNKZCVTBKODZ-IRLDBZIGSA-N 2 0 341.543 3.457 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208748489 1371882857 /nfs/dbraw/zinc/88/28/57/1371882857.db2.gz JRJYRANXNHDAEN-UNQUKWGNSA-N 2 0 347.547 3.188 20 0 EGADRP COC(=O)CC[N@H+](CCC[NH+](C)C)CC1(c2ccccc2)CCCC1 ZINC001208776923 1371894060 /nfs/dbraw/zinc/89/40/60/1371894060.db2.gz ZPINYJGZZBNOLZ-UHFFFAOYSA-N 2 0 346.515 3.315 20 0 EGADRP CC[C@H](CCC(=O)OC)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208799036 1371900736 /nfs/dbraw/zinc/90/07/36/1371900736.db2.gz WSDRWFRTPTWXMR-HOJAQTOUSA-N 2 0 344.499 3.030 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121247016 1371906693 /nfs/dbraw/zinc/90/66/93/1371906693.db2.gz VEKFMGFZCHTRBG-KHRZYKAISA-N 2 0 347.547 3.090 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2 ZINC001121325852 1371937829 /nfs/dbraw/zinc/93/78/29/1371937829.db2.gz PAEXZYARUPFFNS-UHFFFAOYSA-N 2 0 349.563 3.170 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208936621 1371954259 /nfs/dbraw/zinc/95/42/59/1371954259.db2.gz ONMFALZQWKOTIY-FCHUYYIVSA-N 2 0 341.543 3.459 20 0 EGADRP CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947386 1371959139 /nfs/dbraw/zinc/95/91/39/1371959139.db2.gz BHSDDEZUVXHMTM-MOPGFXCFSA-N 2 0 344.499 3.172 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001121474836 1371986242 /nfs/dbraw/zinc/98/62/42/1371986242.db2.gz LXLVPOUTXAYBAI-UHFFFAOYSA-N 2 0 349.563 3.314 20 0 EGADRP FC(F)(F)c1cccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001209114598 1372002005 /nfs/dbraw/zinc/00/20/05/1372002005.db2.gz AEHCWHBDEOTHLV-UHFFFAOYSA-N 2 0 335.373 3.465 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209279585 1372057305 /nfs/dbraw/zinc/05/73/05/1372057305.db2.gz ZMUXCVDXMUSGIQ-QGZVFWFLSA-N 2 0 335.492 3.116 20 0 EGADRP C[NH+]1CCC2(CC[N@H+](CCCCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001209376163 1372082753 /nfs/dbraw/zinc/08/27/53/1372082753.db2.gz QKCZRPONVSAFHS-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP CCN(CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209450768 1372109011 /nfs/dbraw/zinc/10/90/11/1372109011.db2.gz LJCVJQRMICJTEB-NRFANRHFSA-N 2 0 329.532 3.459 20 0 EGADRP CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC001209450386 1372109772 /nfs/dbraw/zinc/10/97/72/1372109772.db2.gz IFJLPCURGGYQQO-KRWDZBQOSA-N 2 0 339.524 3.242 20 0 EGADRP c1ccc(C[NH+]2CC3(C2)CCCN(CCC[NH+]2CCCCC2)C3)cc1 ZINC001209455111 1372110134 /nfs/dbraw/zinc/11/01/34/1372110134.db2.gz YRYRQPIDAKUPLD-UHFFFAOYSA-N 2 0 341.543 3.460 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2)C(C)C ZINC001121924319 1372124545 /nfs/dbraw/zinc/12/45/45/1372124545.db2.gz UUJALKWIOVBPRK-FCOWATRHSA-N 2 0 349.563 3.170 20 0 EGADRP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209513814 1372126004 /nfs/dbraw/zinc/12/60/04/1372126004.db2.gz FAYUFKLFSOJGFF-UHFFFAOYSA-N 2 0 342.531 3.408 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)CC(C)C)C2 ZINC001121935087 1372127122 /nfs/dbraw/zinc/12/71/22/1372127122.db2.gz GVYZAIUXBAXWBB-UFQJCFOOSA-N 2 0 337.552 3.027 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001121948539 1372131515 /nfs/dbraw/zinc/13/15/15/1372131515.db2.gz WEVKLJJIHUQHGP-UHFFFAOYSA-N 2 0 349.563 3.172 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC(C)C)C1)[NH+](CC)CC ZINC001209614427 1372151780 /nfs/dbraw/zinc/15/17/80/1372151780.db2.gz OVEVZCRZHWKNPW-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCC[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209650245 1372161848 /nfs/dbraw/zinc/16/18/48/1372161848.db2.gz FXDJCHXYWWLWBQ-FQEVSTJZSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209688255 1372170755 /nfs/dbraw/zinc/17/07/55/1372170755.db2.gz CKQYFWQCQHGQCX-ROUUACIJSA-N 2 0 339.568 3.227 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001122242809 1372210237 /nfs/dbraw/zinc/21/02/37/1372210237.db2.gz QJRONLGYPZRMCD-IKQKDXEZSA-N 2 0 349.563 3.314 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122248084 1372211617 /nfs/dbraw/zinc/21/16/17/1372211617.db2.gz FCTQVPZNWNYAQI-FPLPWBNLSA-N 2 0 335.536 3.090 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC001122284698 1372221883 /nfs/dbraw/zinc/22/18/83/1372221883.db2.gz CDPDUFUJVYOVKV-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210183751 1372290890 /nfs/dbraw/zinc/29/08/90/1372290890.db2.gz ROUDMNYDWIMEPN-ZLQZBKBYSA-N 2 0 337.552 3.435 20 0 EGADRP Cc1cc(Br)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266625 1372310194 /nfs/dbraw/zinc/31/01/94/1372310194.db2.gz MQOOXQVXMAQFJV-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428060 1372351385 /nfs/dbraw/zinc/35/13/85/1372351385.db2.gz LSAXCZDWEDMBPG-ZMBJWTFHSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)c1ccccc1 ZINC001210492900 1372366024 /nfs/dbraw/zinc/36/60/24/1372366024.db2.gz FPUNUAXHTBUIQH-RBUKOAKNSA-N 2 0 331.504 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001210529417 1372372471 /nfs/dbraw/zinc/37/24/71/1372372471.db2.gz VOPXOSFPNPRYDU-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001210586673 1372385053 /nfs/dbraw/zinc/38/50/53/1372385053.db2.gz ZVXBNRNLVISGIJ-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001210633423 1372396166 /nfs/dbraw/zinc/39/61/66/1372396166.db2.gz BSRIFHFANHZZLX-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210744034 1372417733 /nfs/dbraw/zinc/41/77/33/1372417733.db2.gz NJMRDCNCTIWHGE-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001210796398 1372428315 /nfs/dbraw/zinc/42/83/15/1372428315.db2.gz FTQJYZXRRLFUSV-SJORKVTESA-N 2 0 349.494 3.199 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211147831 1372490413 /nfs/dbraw/zinc/49/04/13/1372490413.db2.gz VSLCHIJSKKKWRK-LJQANCHMSA-N 2 0 337.552 3.413 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001211250130 1372511669 /nfs/dbraw/zinc/51/16/69/1372511669.db2.gz RZOCQJCIMRWPPN-SFHVURJKSA-N 2 0 349.494 3.082 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001211276058 1372518807 /nfs/dbraw/zinc/51/88/07/1372518807.db2.gz DHEVHHDHFZYBGU-HXUWFJFHSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001211278684 1372519433 /nfs/dbraw/zinc/51/94/33/1372519433.db2.gz UCDDVWOAOXNWIS-GOSISDBHSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001211284103 1372520780 /nfs/dbraw/zinc/52/07/80/1372520780.db2.gz IYKLVKNHJVFDMG-RBUKOAKNSA-N 2 0 345.531 3.285 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343749 1372536682 /nfs/dbraw/zinc/53/66/82/1372536682.db2.gz KDAUXRHCLSXINB-CQQBRXBZSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)ccc1C[NH+](C)C ZINC001123807344 1372595014 /nfs/dbraw/zinc/59/50/14/1372595014.db2.gz WXJTUFNYIUCGGD-LSBZLQRGSA-N 2 0 329.488 3.116 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001326482376 1388210554 /nfs/dbraw/zinc/21/05/54/1388210554.db2.gz WPLAIGIXWOAPLR-MRXNPFEDSA-N 2 0 343.515 3.095 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214856050 1373131061 /nfs/dbraw/zinc/13/10/61/1373131061.db2.gz WFTQBFZNESDXBA-BHIYHBOVSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001214997569 1373153112 /nfs/dbraw/zinc/15/31/12/1373153112.db2.gz JSJRMTOKOGRSCK-SJLPKXTDSA-N 2 0 335.536 3.044 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188140231 1388249140 /nfs/dbraw/zinc/24/91/40/1388249140.db2.gz ZTLXECANAGRIBD-KJYWSYJISA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001215568321 1373213625 /nfs/dbraw/zinc/21/36/25/1373213625.db2.gz LQZKEBZRDASSPM-IAGOWNOFSA-N 2 0 339.568 3.227 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC)C1 ZINC001215972979 1373252944 /nfs/dbraw/zinc/25/29/44/1373252944.db2.gz JGWDQSFFTFITHR-QZTJIDSGSA-N 2 0 325.541 3.125 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)c2sccc2C[NH+](C)C)c1 ZINC001128543392 1373287223 /nfs/dbraw/zinc/28/72/23/1373287223.db2.gz CKJSFXXIYSSIJN-OAHLLOKOSA-N 2 0 345.512 3.199 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001216323839 1373300359 /nfs/dbraw/zinc/30/03/59/1373300359.db2.gz LQJDRVCXLBVVGA-GUDVDZBRSA-N 2 0 335.536 3.044 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323357 1373300421 /nfs/dbraw/zinc/30/04/21/1373300421.db2.gz CTLDVRZSXAOGFS-QRVBRYPASA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001129422109 1373382282 /nfs/dbraw/zinc/38/22/82/1373382282.db2.gz FROBOQWPYHUXCX-PKOBYXMFSA-N 2 0 331.504 3.025 20 0 EGADRP c1ccc(C[N@@H+]2CCCO[C@H](COCCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217888197 1373509664 /nfs/dbraw/zinc/50/96/64/1373509664.db2.gz OLAJRMHXYNJLHG-FPOVZHCZSA-N 2 0 346.515 3.074 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001130622434 1373571648 /nfs/dbraw/zinc/57/16/48/1373571648.db2.gz IPAOGKOGQIGUHT-INIZCTEOSA-N 2 0 331.504 3.106 20 0 EGADRP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001218939009 1373668343 /nfs/dbraw/zinc/66/83/43/1373668343.db2.gz ZPCPHBYMUYTYHC-SFTDATJTSA-N 2 0 349.478 3.197 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001219486794 1373711463 /nfs/dbraw/zinc/71/14/63/1373711463.db2.gz SDEZWHYSYAYGLO-XUVXKRRUSA-N 2 0 341.499 3.096 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC001131821474 1373822412 /nfs/dbraw/zinc/82/24/12/1373822412.db2.gz AFPFOMPIQAKFBP-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346300 1388294043 /nfs/dbraw/zinc/29/40/43/1388294043.db2.gz HKESPJMPYIGXRT-PHWHVTFISA-N 2 0 335.536 3.189 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C)c1ccccc1 ZINC001326736793 1388295012 /nfs/dbraw/zinc/29/50/12/1388295012.db2.gz ZGTZQUWLGJAIIW-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CCCC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001223929164 1375048119 /nfs/dbraw/zinc/04/81/19/1375048119.db2.gz QIURWQUNKDEKPC-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)=CC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739265 1375072552 /nfs/dbraw/zinc/07/25/52/1375072552.db2.gz LEHUMMUIEDXVPR-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP COCC[NH+]1CCC(OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224825507 1375078722 /nfs/dbraw/zinc/07/87/22/1375078722.db2.gz KRVGUAKDXKWLKB-HXUWFJFHSA-N 2 0 346.515 3.026 20 0 EGADRP FCC[NH+]1CCC(OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224830503 1375079684 /nfs/dbraw/zinc/07/96/84/1375079684.db2.gz OMEKGLGWHAHDOU-LJQANCHMSA-N 2 0 334.479 3.349 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001225244078 1375099167 /nfs/dbraw/zinc/09/91/67/1375099167.db2.gz GCTIUCWSYVANEX-BQYQJAHWSA-N 2 0 337.552 3.293 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578068 1375126634 /nfs/dbraw/zinc/12/66/34/1375126634.db2.gz OWOSXODDWPASDL-XJDXJNMNSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C\CC[NH+]1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225653107 1375139172 /nfs/dbraw/zinc/13/91/72/1375139172.db2.gz RHJQPXCQGVELKV-ARJAWSKDSA-N 2 0 349.563 3.437 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCCC1CCCC1 ZINC001132105938 1375151138 /nfs/dbraw/zinc/15/11/38/1375151138.db2.gz OPVKGRFTCVHZCU-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1CCCCC1 ZINC001132106428 1375151615 /nfs/dbraw/zinc/15/16/15/1375151615.db2.gz UICKDXDBNRYLGX-IEBWSBKVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1CCCC1 ZINC001132111394 1375153337 /nfs/dbraw/zinc/15/33/37/1375153337.db2.gz QPBSGCSPENIDBR-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CCC1CCCC1 ZINC001132111393 1375153634 /nfs/dbraw/zinc/15/36/34/1375153634.db2.gz QPBSGCSPENIDBR-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150394 1375171766 /nfs/dbraw/zinc/17/17/66/1375171766.db2.gz QMVBXEALOFDVMP-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132154165 1375173839 /nfs/dbraw/zinc/17/38/39/1375173839.db2.gz XMXXRXQKLNHESL-HOTGVXAUSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@@H+]1CCCCCF ZINC001132153920 1375174123 /nfs/dbraw/zinc/17/41/23/1375174123.db2.gz VBBGHBVQMWLPLL-WBVHZDCISA-N 2 0 346.450 3.057 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@@H+]1CC1CCC1 ZINC001132202045 1375206175 /nfs/dbraw/zinc/20/61/75/1375206175.db2.gz BJQFQXIRZBOYHY-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132204425 1375207958 /nfs/dbraw/zinc/20/79/58/1375207958.db2.gz WFOXPXOZWOJDGG-MOPGFXCFSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CCC1=CCCCC1 ZINC001132265587 1375254579 /nfs/dbraw/zinc/25/45/79/1375254579.db2.gz PEIAJTBYPFBJME-PKOBYXMFSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCC1=CCCCC1 ZINC001132268713 1375256479 /nfs/dbraw/zinc/25/64/79/1375256479.db2.gz AWLIFOIUIZMTDN-MJGOQNOKSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1CCCC1CCCC1 ZINC001132269064 1375256592 /nfs/dbraw/zinc/25/65/92/1375256592.db2.gz DVDJFPOPPAKRRK-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c(C)c1 ZINC001132269520 1375257292 /nfs/dbraw/zinc/25/72/92/1375257292.db2.gz LGVNXBCCTCLWOG-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(C)C)C1 ZINC001132366242 1375332498 /nfs/dbraw/zinc/33/24/98/1375332498.db2.gz YYMRJQRTEGHZGE-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132377020 1375337845 /nfs/dbraw/zinc/33/78/45/1375337845.db2.gz SOLQWNIPJDOROA-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226799585 1375337935 /nfs/dbraw/zinc/33/79/35/1375337935.db2.gz CQCFDTXHALWLTH-RTUSNTFBSA-N 2 0 335.536 3.090 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1)C1CC1 ZINC001226799810 1375338484 /nfs/dbraw/zinc/33/84/84/1375338484.db2.gz CXSLLJXGCMFRNV-VAMGGRTRSA-N 2 0 347.547 3.234 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132376699 1375338965 /nfs/dbraw/zinc/33/89/65/1375338965.db2.gz PKYXJVAJESFQIA-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc(C[N@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132432267 1375377166 /nfs/dbraw/zinc/37/71/66/1375377166.db2.gz BMHZZWPAPBXUAV-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132435378 1375380332 /nfs/dbraw/zinc/38/03/32/1375380332.db2.gz CICVJJUAPRDVJE-NCJCTJFTSA-N 2 0 343.515 3.011 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCC2)C1 ZINC001132437045 1375381547 /nfs/dbraw/zinc/38/15/47/1375381547.db2.gz PMDSXTFEOQGZOK-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132440736 1375385290 /nfs/dbraw/zinc/38/52/90/1375385290.db2.gz FHMNFTMRWQXGTF-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(CC)c2)C1 ZINC001132441884 1375386343 /nfs/dbraw/zinc/38/63/43/1375386343.db2.gz UYUGCZLIZCBYGF-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(CC)c2)C1 ZINC001132441883 1375387112 /nfs/dbraw/zinc/38/71/12/1375387112.db2.gz UYUGCZLIZCBYGF-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132492113 1375423567 /nfs/dbraw/zinc/42/35/67/1375423567.db2.gz CKVSQKYAMOPWPC-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@@H+]1CC1CCCCC1 ZINC001132517311 1375436193 /nfs/dbraw/zinc/43/61/93/1375436193.db2.gz AUGFWGXEEZUZAW-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)CCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227791324 1375475096 /nfs/dbraw/zinc/47/50/96/1375475096.db2.gz BSYXGWJUMOVEPH-LJQANCHMSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001227900775 1375488739 /nfs/dbraw/zinc/48/87/39/1375488739.db2.gz YJBDYFWMLBEAMN-PXNSSMCTSA-N 2 0 345.531 3.223 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001227899659 1375489241 /nfs/dbraw/zinc/48/92/41/1375489241.db2.gz AYKCCVGHDWBPEC-IAGOWNOFSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001228266076 1375537195 /nfs/dbraw/zinc/53/71/95/1375537195.db2.gz LCYZAKWHXXDHFF-INIZCTEOSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)(C)CCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228416162 1375569624 /nfs/dbraw/zinc/56/96/24/1375569624.db2.gz ZJABKYKMFANMJD-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001228595348 1375609110 /nfs/dbraw/zinc/60/91/10/1375609110.db2.gz VIAMGJVGIAMTTM-BHIYHBOVSA-N 2 0 335.536 3.068 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001228932721 1375720060 /nfs/dbraw/zinc/72/00/60/1375720060.db2.gz SSLQGWOSZADHSM-RRTWXQSHSA-N 2 0 341.927 3.019 20 0 EGADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228943686 1375723439 /nfs/dbraw/zinc/72/34/39/1375723439.db2.gz IGLIEQUXQRQEDN-OXQOHEQNSA-N 2 0 337.467 3.284 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133063710 1375752140 /nfs/dbraw/zinc/75/21/40/1375752140.db2.gz GHGWUGAAKJZKDG-SJLPKXTDSA-N 2 0 349.519 3.219 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229127410 1375770256 /nfs/dbraw/zinc/77/02/56/1375770256.db2.gz ZHHSZSZYBUVTEF-WOJBJXKFSA-N 2 0 343.515 3.345 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C/Cl)cc1 ZINC001229126727 1375770509 /nfs/dbraw/zinc/77/05/09/1375770509.db2.gz KSGZEBGPPJSRRI-HWJVKUOTSA-N 2 0 349.906 3.131 20 0 EGADRP CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229126468 1375770519 /nfs/dbraw/zinc/77/05/19/1375770519.db2.gz JZVBVWGUALAQIP-GUDVDZBRSA-N 2 0 349.494 3.127 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001229171220 1375780696 /nfs/dbraw/zinc/78/06/96/1375780696.db2.gz KUHNEOVRAJBLNW-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC)c1ccccc1 ZINC001229213445 1375788110 /nfs/dbraw/zinc/78/81/10/1375788110.db2.gz JTVZSFZFBXUREZ-VAMGGRTRSA-N 2 0 345.531 3.497 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001229231667 1375791737 /nfs/dbraw/zinc/79/17/37/1375791737.db2.gz SLCFNVXMDRYZLC-RTBURBONSA-N 2 0 349.494 3.015 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001229287159 1375801215 /nfs/dbraw/zinc/80/12/15/1375801215.db2.gz KTRVKUUMHKHQHF-NYQZOWANSA-N 2 0 335.536 3.092 20 0 EGADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001229652973 1375872946 /nfs/dbraw/zinc/87/29/46/1375872946.db2.gz UUXBHLZFTSMNTM-GUDVDZBRSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001133261661 1375876455 /nfs/dbraw/zinc/87/64/55/1375876455.db2.gz BZOHZOWCPCDYQI-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133261645 1375877302 /nfs/dbraw/zinc/87/73/02/1375877302.db2.gz BVOLERVPAVUFRZ-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001133287054 1375898083 /nfs/dbraw/zinc/89/80/83/1375898083.db2.gz DPGHUVOVGWGIDO-OAHLLOKOSA-N 2 0 346.302 3.102 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001229992482 1375926462 /nfs/dbraw/zinc/92/64/62/1375926462.db2.gz BYOUIHJLOUHBRN-ARJAWSKDSA-N 2 0 347.547 3.045 20 0 EGADRP CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001133358695 1375942569 /nfs/dbraw/zinc/94/25/69/1375942569.db2.gz CPEWIVMBTDJXSO-DLBZAZTESA-N 2 0 349.519 3.219 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001230105560 1375943391 /nfs/dbraw/zinc/94/33/91/1375943391.db2.gz UJYPVKOWQMZOQT-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001230256789 1375977859 /nfs/dbraw/zinc/97/78/59/1375977859.db2.gz AISREODOUQSNFF-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257116 1375978554 /nfs/dbraw/zinc/97/85/54/1375978554.db2.gz KNCBPUZVNMPWKH-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001230274788 1375980508 /nfs/dbraw/zinc/98/05/08/1375980508.db2.gz LJYQFJFJAIYSFA-KURKYZTESA-N 2 0 341.515 3.018 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1)[NH+]1CCCC1 ZINC001230378620 1376011001 /nfs/dbraw/zinc/01/10/01/1376011001.db2.gz RIHONBACTUXSLI-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@]1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]C1 ZINC001327181538 1388427513 /nfs/dbraw/zinc/42/75/13/1388427513.db2.gz RQFFSDQFTQJIOQ-NRFANRHFSA-N 2 0 343.515 3.069 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001327196836 1388437709 /nfs/dbraw/zinc/43/77/09/1388437709.db2.gz XIUZMEUXIJKEEU-NSISKUIASA-N 2 0 343.515 3.195 20 0 EGADRP c1csc(CN2C[C@@H]3C[N@@H+](Cc4cccc5c[nH]nc54)C[C@@H]3C2)c1 ZINC001231973555 1376365037 /nfs/dbraw/zinc/36/50/37/1376365037.db2.gz XRZRIFFDACJEBD-CALCHBBNSA-N 2 0 338.480 3.188 20 0 EGADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232013100 1376382929 /nfs/dbraw/zinc/38/29/29/1376382929.db2.gz XXHIRBJMHZVOBN-MRXNPFEDSA-N 2 0 344.459 3.394 20 0 EGADRP Cn1nc(C(F)F)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1Cl ZINC001232056451 1376392015 /nfs/dbraw/zinc/39/20/15/1376392015.db2.gz QWAOMJYFDRLINX-UHFFFAOYSA-N 2 0 346.853 3.319 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232364495 1376449519 /nfs/dbraw/zinc/44/95/19/1376449519.db2.gz VUMKBCMLRBYUAB-UHFFFAOYSA-N 2 0 338.499 3.164 20 0 EGADRP Nc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232369920 1376451312 /nfs/dbraw/zinc/45/13/12/1376451312.db2.gz GDHCQIAMDMTASF-VQTJNVASSA-N 2 0 336.483 3.008 20 0 EGADRP Cc1cccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1OC(C)C ZINC001232392658 1376453914 /nfs/dbraw/zinc/45/39/14/1376453914.db2.gz XRXYMGOKGDVUIR-UHFFFAOYSA-N 2 0 349.563 3.488 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134606963 1376622039 /nfs/dbraw/zinc/62/20/39/1376622039.db2.gz BSXLLFDRMMKLBG-IRXDYDNUSA-N 2 0 345.531 3.106 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612798 1376624965 /nfs/dbraw/zinc/62/49/65/1376624965.db2.gz QGYRASXZJVZUNR-DLBZAZTESA-N 2 0 349.563 3.314 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784065 1376718460 /nfs/dbraw/zinc/71/84/60/1376718460.db2.gz RESPDVLIENHUGY-QZTJIDSGSA-N 2 0 348.535 3.361 20 0 EGADRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](CC[C@H](C)SC)CC2 ZINC001235018286 1376826859 /nfs/dbraw/zinc/82/68/59/1376826859.db2.gz HKBQSJBOZHSDHP-HNNXBMFYSA-N 2 0 334.529 3.274 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccsc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994004 1376832538 /nfs/dbraw/zinc/83/25/38/1376832538.db2.gz NRGLBPKJWIZALV-ZIAGYGMSSA-N 2 0 342.468 3.083 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190955 1376858239 /nfs/dbraw/zinc/85/82/39/1376858239.db2.gz MPHJULRFNNJUTE-UHFFFAOYSA-N 2 0 344.499 3.404 20 0 EGADRP COc1cccc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235428814 1376869490 /nfs/dbraw/zinc/86/94/90/1376869490.db2.gz REEIEQSWKULOJC-HZPDHXFCSA-N 2 0 327.472 3.388 20 0 EGADRP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC001235429762 1376870625 /nfs/dbraw/zinc/87/06/25/1376870625.db2.gz ZLHRXOFMJYBFMS-SJORKVTESA-N 2 0 347.503 3.020 20 0 EGADRP CCOC(=O)CC[N@@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235430567 1376872167 /nfs/dbraw/zinc/87/21/67/1376872167.db2.gz IJSJJXPVABMNFP-UHFFFAOYSA-N 2 0 344.499 3.222 20 0 EGADRP Clc1cc2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2cn1 ZINC001235430266 1376872360 /nfs/dbraw/zinc/87/23/60/1376872360.db2.gz WJRRUWDYPHQMDN-KBPBESRZSA-N 2 0 332.879 3.428 20 0 EGADRP Clc1ccn2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430410 1376872533 /nfs/dbraw/zinc/87/25/33/1376872533.db2.gz XDRRRNFKCYEFHO-LSDHHAIUSA-N 2 0 332.879 3.199 20 0 EGADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2nccn2c1 ZINC001235431160 1376872713 /nfs/dbraw/zinc/87/27/13/1376872713.db2.gz LGUBLVZJOQPDIM-GJZGRUSLSA-N 2 0 332.879 3.199 20 0 EGADRP c1ccc([C@@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001235666785 1376882442 /nfs/dbraw/zinc/88/24/42/1376882442.db2.gz VVJMNQWNHOVECC-OAQYLSRUSA-N 2 0 335.495 3.476 20 0 EGADRP COc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C[NH3+])cc2)cc1 ZINC001235726069 1376887002 /nfs/dbraw/zinc/88/70/02/1376887002.db2.gz MEKWETDMTOGTAZ-IBGZPJMESA-N 2 0 328.481 3.444 20 0 EGADRP CCN(Cc1ccc(F)c(Br)c1F)C1CC[NH2+]CC1 ZINC001235765271 1376889965 /nfs/dbraw/zinc/88/99/65/1376889965.db2.gz WFAKUVJWHZKNAU-UHFFFAOYSA-N 2 0 333.220 3.301 20 0 EGADRP C[C@@H](C[NH+]1CCC(N2CC[NH2+]CC2)CC1)c1cccc2ccccc21 ZINC001236129792 1376935173 /nfs/dbraw/zinc/93/51/73/1376935173.db2.gz RWXSYCDAAAFFID-SFHVURJKSA-N 2 0 337.511 3.313 20 0 EGADRP CC[N@@H+](Cc1cccc(C(=O)NCC[NH3+])c1)Cc1ccc(C)c(C)c1 ZINC001236240971 1376945105 /nfs/dbraw/zinc/94/51/05/1376945105.db2.gz OUQJAOYFOUJWPD-UHFFFAOYSA-N 2 0 339.483 3.014 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181261 1376952833 /nfs/dbraw/zinc/95/28/33/1376952833.db2.gz NGDIAQUULKEBDJ-DLBZAZTESA-N 2 0 335.536 3.234 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001135179918 1376953694 /nfs/dbraw/zinc/95/36/94/1376953694.db2.gz BQJROTFIOHZJAL-ZWKOTPCHSA-N 2 0 345.531 3.242 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCCCC1 ZINC001135182128 1376955007 /nfs/dbraw/zinc/95/50/07/1376955007.db2.gz YCAMUACKQJFYBI-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCC[NH+](C)C ZINC001135314901 1377033830 /nfs/dbraw/zinc/03/38/30/1377033830.db2.gz IQUZOSAEVMFHJA-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C1CC1)NC(=O)CCC[NH+](C)C ZINC001135317376 1377034386 /nfs/dbraw/zinc/03/43/86/1377034386.db2.gz YGFSAJVJKAXADN-IAGOWNOFSA-N 2 0 345.531 3.279 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CCC2CCCCC2)cc1 ZINC001135334092 1377044227 /nfs/dbraw/zinc/04/42/27/1377044227.db2.gz KREYJMZPONJWCK-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP Cc1ccc(F)c(C[NH2+]C2CCC3(CC2)C[NH2+]CCO3)c1Cl ZINC001246158321 1377050468 /nfs/dbraw/zinc/05/04/68/1377050468.db2.gz IMPXJURSBCIVSP-UHFFFAOYSA-N 2 0 326.843 3.178 20 0 EGADRP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246379522 1377051543 /nfs/dbraw/zinc/05/15/43/1377051543.db2.gz PRTJCQCYQZOHSS-IEBWSBKVSA-N 2 0 331.479 3.049 20 0 EGADRP Fc1cccc2c1C[C@H]([NH2+]C1(Cc3ccccc3F)CC[NH2+]CC1)C2 ZINC001246380977 1377051558 /nfs/dbraw/zinc/05/15/58/1377051558.db2.gz LTBYZAWKKDJOTK-QGZVFWFLSA-N 2 0 342.433 3.387 20 0 EGADRP C[C@H]1CC(NC2(Cc3ccccc3Cl)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246381311 1377051629 /nfs/dbraw/zinc/05/16/29/1377051629.db2.gz OWYLEJZKHIPLMD-GJZGRUSLSA-N 2 0 335.923 3.123 20 0 EGADRP C[C@@H]1C[C@@H](NC2(Cc3ccccc3Cl)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246381313 1377051649 /nfs/dbraw/zinc/05/16/49/1377051649.db2.gz OWYLEJZKHIPLMD-SCAQPMJSSA-N 2 0 335.923 3.123 20 0 EGADRP C[C@@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246547044 1377051984 /nfs/dbraw/zinc/05/19/84/1377051984.db2.gz ALBZHMALEPJXTI-BBPUYGCGSA-N 2 0 329.532 3.345 20 0 EGADRP c1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)C3)co1 ZINC001246750279 1377054436 /nfs/dbraw/zinc/05/44/36/1377054436.db2.gz UBZXHAXQZKDXQD-AQNXPRMDSA-N 2 0 343.515 3.241 20 0 EGADRP [NH3+]CCN(Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246820897 1377055329 /nfs/dbraw/zinc/05/53/29/1377055329.db2.gz KSZVVPIUEIVYFM-MUJYYYPQSA-N 2 0 342.314 3.427 20 0 EGADRP CC(C)Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001135371447 1377059834 /nfs/dbraw/zinc/05/98/34/1377059834.db2.gz FUCMXVFRMMYWJI-ROUUACIJSA-N 2 0 347.547 3.210 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CCCC(C)(C)C ZINC001135375491 1377061148 /nfs/dbraw/zinc/06/11/48/1377061148.db2.gz MIYVIFFVDYKBFW-CVEARBPZSA-N 2 0 325.541 3.027 20 0 EGADRP O[C@@]1(CNc2cccc3ccncc32)CC[N@H+](Cc2ccccc2)C1 ZINC001252935008 1377093420 /nfs/dbraw/zinc/09/34/20/1377093420.db2.gz ASYQKFISXFJPAX-OAQYLSRUSA-N 2 0 333.435 3.284 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001135440403 1377098612 /nfs/dbraw/zinc/09/86/12/1377098612.db2.gz LUOJAOZKDSTGBH-INIZCTEOSA-N 2 0 337.483 3.105 20 0 EGADRP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254510381 1377105315 /nfs/dbraw/zinc/10/53/15/1377105315.db2.gz VERQTJNKSMRUTP-UKRRQHHQSA-N 2 0 325.294 3.454 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254530035 1377106506 /nfs/dbraw/zinc/10/65/06/1377106506.db2.gz TYHXGHXIWXGRSI-SLFFLAALSA-N 2 0 344.499 3.282 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135477269 1377111482 /nfs/dbraw/zinc/11/14/82/1377111482.db2.gz UIDVBCFYOYITSI-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481236 1377114035 /nfs/dbraw/zinc/11/40/35/1377114035.db2.gz RQLBBCBFFYVLEG-IRXDYDNUSA-N 2 0 339.568 3.418 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135691632 1377185608 /nfs/dbraw/zinc/18/56/08/1377185608.db2.gz XTTVNSUISVTQTK-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135705823 1377190280 /nfs/dbraw/zinc/19/02/80/1377190280.db2.gz JPYHNVCTPDSZKH-DLBZAZTESA-N 2 0 345.531 3.279 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135743219 1377199104 /nfs/dbraw/zinc/19/91/04/1377199104.db2.gz HBTUCCMDHOTSJZ-DLBZAZTESA-N 2 0 339.568 3.418 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCC1CCC1 ZINC001135788611 1377211406 /nfs/dbraw/zinc/21/14/06/1377211406.db2.gz IDSRTSNZSMXZHY-MSOLQXFVSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135789769 1377211795 /nfs/dbraw/zinc/21/17/95/1377211795.db2.gz ZPYZMOYBFGFOEE-IRXDYDNUSA-N 2 0 337.552 3.027 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1)[NH+](C)C ZINC001266185445 1377220540 /nfs/dbraw/zinc/22/05/40/1377220540.db2.gz IAFQQKJBJXSWMY-FXAWDEMLSA-N 2 0 345.531 3.319 20 0 EGADRP CC[C@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001266195802 1377222577 /nfs/dbraw/zinc/22/25/77/1377222577.db2.gz ZUTNTQSBJNLOAY-YLJYHZDGSA-N 2 0 345.531 3.319 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135858454 1377236866 /nfs/dbraw/zinc/23/68/66/1377236866.db2.gz YHBUZYUIBMXPOC-LSDHHAIUSA-N 2 0 339.911 3.055 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266233497 1377239624 /nfs/dbraw/zinc/23/96/24/1377239624.db2.gz LRWPQMUVBHEFBU-IPLHWJFFSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001266245787 1377243864 /nfs/dbraw/zinc/24/38/64/1377243864.db2.gz GRKWGFJUPHSCFS-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCF ZINC001135908522 1377258818 /nfs/dbraw/zinc/25/88/18/1377258818.db2.gz ZYCHTSUQXXRQSN-IRXDYDNUSA-N 2 0 331.520 3.121 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939171 1377270510 /nfs/dbraw/zinc/27/05/10/1377270510.db2.gz VOTYWTVOFKZIGL-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944973 1377273690 /nfs/dbraw/zinc/27/36/90/1377273690.db2.gz SXKSWTGDRGDSKD-JKSUJKDBSA-N 2 0 346.519 3.214 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135992873 1377291159 /nfs/dbraw/zinc/29/11/59/1377291159.db2.gz WBHJQGGPPPCXMZ-ROUUACIJSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001135995582 1377292029 /nfs/dbraw/zinc/29/20/29/1377292029.db2.gz IDBXBALQVLERBM-MSOLQXFVSA-N 2 0 333.520 3.100 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001136465383 1377395619 /nfs/dbraw/zinc/39/56/19/1377395619.db2.gz MAZNRHSBRPELOU-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC001136473378 1377396716 /nfs/dbraw/zinc/39/67/16/1377396716.db2.gz KXQIUKAKMLKUHD-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCC(C)(C)CC1 ZINC001136541778 1377403417 /nfs/dbraw/zinc/40/34/17/1377403417.db2.gz NJSPABKQZFVCJF-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1c(C(=O)NCC[C@@H](C)[NH2+]C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001267133504 1377416559 /nfs/dbraw/zinc/41/65/59/1377416559.db2.gz ICRIRWQUQZXKKQ-HZPDHXFCSA-N 2 0 344.503 3.423 20 0 EGADRP Cc1ccn2c(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)cnc2c1 ZINC001136889968 1377436219 /nfs/dbraw/zinc/43/62/19/1377436219.db2.gz LSCHCHGEOPEAGB-UHFFFAOYSA-N 2 0 326.488 3.197 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)CCC2CCCC2)CC1)[NH+](C)C ZINC001267604094 1377463524 /nfs/dbraw/zinc/46/35/24/1377463524.db2.gz JHTTUEZLRXKCBF-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1c(C(=O)N[C@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001268736062 1377520920 /nfs/dbraw/zinc/52/09/20/1377520920.db2.gz QBIOXWUUAXDZQL-JKSUJKDBSA-N 2 0 344.503 3.375 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137629523 1377576107 /nfs/dbraw/zinc/57/61/07/1377576107.db2.gz SGBSBLQOMMAUOY-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP COC(=O)c1ccccc1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137789168 1377616243 /nfs/dbraw/zinc/61/62/43/1377616243.db2.gz DJPAJNGWCSROHU-SFHVURJKSA-N 2 0 330.472 3.314 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272020359 1377654541 /nfs/dbraw/zinc/65/45/41/1377654541.db2.gz KNHYJBAFHRNDKZ-SFHVURJKSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001272178958 1377659726 /nfs/dbraw/zinc/65/97/26/1377659726.db2.gz UPBHKJQKOFIWFH-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP COc1ccc(C)cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001138485403 1377731680 /nfs/dbraw/zinc/73/16/80/1377731680.db2.gz QPXNLYMNTOQGSL-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP c1cc2cc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cnc2[nH]1 ZINC001138740384 1377777568 /nfs/dbraw/zinc/77/75/68/1377777568.db2.gz USMQNSPALYQGPK-BGYRXZFFSA-N 2 0 332.451 3.127 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001138770300 1377782264 /nfs/dbraw/zinc/78/22/64/1377782264.db2.gz YODNWBVNVNBAQV-MRXNPFEDSA-N 2 0 330.394 3.196 20 0 EGADRP CN1CCN(c2ncc(C[N@@H+]3CCC[C@H]3C3CCCCC3)s2)CC1 ZINC001139325667 1377868876 /nfs/dbraw/zinc/86/88/76/1377868876.db2.gz VSLMHCMQODIEJB-SFHVURJKSA-N 2 0 348.560 3.440 20 0 EGADRP CC[N@H+]1C[C@H]2CN(Cc3cc4ccc(Br)cc4[nH]3)C[C@H]2C1 ZINC001139475618 1377891467 /nfs/dbraw/zinc/89/14/67/1377891467.db2.gz GZFOSMSADIVAQN-OKILXGFUSA-N 2 0 348.288 3.314 20 0 EGADRP CN(C)C1=NOC2(C1)CC[NH+](Cc1c(Cl)ccnc1Cl)CC2 ZINC001139480018 1377892187 /nfs/dbraw/zinc/89/21/87/1377892187.db2.gz ZMZBSLWTRPSYJQ-UHFFFAOYSA-N 2 0 343.258 3.018 20 0 EGADRP COc1ccc2n[nH]c(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)c2c1 ZINC001140068163 1378000049 /nfs/dbraw/zinc/00/00/49/1378000049.db2.gz AEDXGBICJNCJNX-UHFFFAOYSA-N 2 0 330.476 3.124 20 0 EGADRP CCOc1ncccc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276315969 1378170450 /nfs/dbraw/zinc/17/04/50/1378170450.db2.gz GQOCQVDRFJZNSB-UHFFFAOYSA-N 2 0 329.488 3.321 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276576949 1378180179 /nfs/dbraw/zinc/18/01/79/1378180179.db2.gz RQDZGTRDFJWCNY-HXUWFJFHSA-N 2 0 333.495 3.195 20 0 EGADRP Cc1noc(C)c1C[N@@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276618179 1378181453 /nfs/dbraw/zinc/18/14/53/1378181453.db2.gz ZGJJPNANFBQBDH-UHFFFAOYSA-N 2 0 325.456 3.271 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001277537690 1378232931 /nfs/dbraw/zinc/23/29/31/1378232931.db2.gz JTECPUDIGGBOTO-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C(C)(C)C)c1 ZINC001141103171 1378240096 /nfs/dbraw/zinc/24/00/96/1378240096.db2.gz FPGREGUFFYYTLP-VQTJNVASSA-N 2 0 329.532 3.194 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(C=C(C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC001278130539 1378258791 /nfs/dbraw/zinc/25/87/91/1378258791.db2.gz AJMCOAWDJBRKNC-QGZVFWFLSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC001142307045 1378432772 /nfs/dbraw/zinc/43/27/72/1378432772.db2.gz QSSAIKKBCIDAJS-KZNAEPCWSA-N 2 0 337.552 3.218 20 0 EGADRP Cc1ccc([C@H](CNC(=O)C2([NH+](C)C)CCCC2)[NH+]2CCCC2)cc1 ZINC001142708656 1378480319 /nfs/dbraw/zinc/48/03/19/1378480319.db2.gz JUMLUTYWFNCBGG-IBGZPJMESA-N 2 0 343.515 3.123 20 0 EGADRP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Br ZINC001143663607 1378633130 /nfs/dbraw/zinc/63/31/30/1378633130.db2.gz ZWSQEXHTBSGESE-UHFFFAOYSA-N 2 0 338.293 3.070 20 0 EGADRP CCN(CCC[NH+](C)C)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144053941 1378675785 /nfs/dbraw/zinc/67/57/85/1378675785.db2.gz PQIQQYOSYVHBPP-UHFFFAOYSA-N 2 0 334.382 3.367 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001146341558 1378822218 /nfs/dbraw/zinc/82/22/18/1378822218.db2.gz ZHANGEGCTDHNMT-MSOLQXFVSA-N 2 0 345.531 3.108 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)C[NH+]1CCCC1 ZINC001146399404 1378835219 /nfs/dbraw/zinc/83/52/19/1378835219.db2.gz WPQACBYZIYIPHQ-IRXDYDNUSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001146533853 1378861269 /nfs/dbraw/zinc/86/12/69/1378861269.db2.gz HRGPPPSDARLEES-DLBZAZTESA-N 2 0 349.494 3.075 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001146536631 1378862159 /nfs/dbraw/zinc/86/21/59/1378862159.db2.gz SMILHCIWLHNPEU-QZTJIDSGSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583110 1378870637 /nfs/dbraw/zinc/87/06/37/1378870637.db2.gz JISWMIWGSQSNAV-SJORKVTESA-N 2 0 333.520 3.281 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001146601620 1378875444 /nfs/dbraw/zinc/87/54/44/1378875444.db2.gz MWLQIYFJOVFYIK-IRXDYDNUSA-N 2 0 345.531 3.277 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001146611570 1378878179 /nfs/dbraw/zinc/87/81/79/1378878179.db2.gz MKZAXUWQRCFLNM-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001283510142 1378993741 /nfs/dbraw/zinc/99/37/41/1378993741.db2.gz OEDJCMPWFLXIQW-APWZRJJASA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001147359538 1379009356 /nfs/dbraw/zinc/00/93/56/1379009356.db2.gz REARSDNVMRPHDK-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001283691226 1379120541 /nfs/dbraw/zinc/12/05/41/1379120541.db2.gz AQRZKZOMCGUJCD-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2)[NH+](CC)CC ZINC001148286142 1379145930 /nfs/dbraw/zinc/14/59/30/1379145930.db2.gz UBYPELXEVSTWFU-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001148834011 1379280013 /nfs/dbraw/zinc/28/00/13/1379280013.db2.gz RBXUIBPYFBGTAK-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CN1C(=O)CCC[NH+](C)C ZINC001284006292 1379356954 /nfs/dbraw/zinc/35/69/54/1379356954.db2.gz ZEPXCRJOEXYSHN-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001152339909 1379914368 /nfs/dbraw/zinc/91/43/68/1379914368.db2.gz DWJHBNCIKCSGQR-GOSISDBHSA-N 2 0 345.531 3.453 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001152470464 1379939808 /nfs/dbraw/zinc/93/98/08/1379939808.db2.gz BJLSRNBKPIGHCQ-UXHICEINSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001152485267 1379941667 /nfs/dbraw/zinc/94/16/67/1379941667.db2.gz YWCGSNQVGMDTHH-QUCCMNQESA-N 2 0 345.531 3.272 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C)[NH+](C)C ZINC001284631546 1380035806 /nfs/dbraw/zinc/03/58/06/1380035806.db2.gz OQKAFTLFBMXFFY-OALUTQOASA-N 2 0 347.547 3.264 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CC2CCCCCC2)o1 ZINC001153266385 1380046759 /nfs/dbraw/zinc/04/67/59/1380046759.db2.gz HVNBVFUJMVUPKI-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314671 1380055006 /nfs/dbraw/zinc/05/50/06/1380055006.db2.gz PWIMHTCMDNGMNJ-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP CC[N@H+](CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361673 1380063939 /nfs/dbraw/zinc/06/39/39/1380063939.db2.gz FIHKZOJEPWTSFG-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCC1 ZINC001153677448 1380113665 /nfs/dbraw/zinc/11/36/65/1380113665.db2.gz DODWLRJIOPBOBJ-AEFFLSMTSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC2(CCC2)C1 ZINC001153720542 1380118983 /nfs/dbraw/zinc/11/89/83/1380118983.db2.gz JCCCBDUIRREXBB-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819427 1380136909 /nfs/dbraw/zinc/13/69/09/1380136909.db2.gz YYAYARRCXGEDKJ-VQIMIIECSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824137 1380137264 /nfs/dbraw/zinc/13/72/64/1380137264.db2.gz MKUXOCXGGGALJR-YVJSUPCUSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879242 1380148227 /nfs/dbraw/zinc/14/82/27/1380148227.db2.gz BKTGVQKDLLWXLN-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930809 1380157265 /nfs/dbraw/zinc/15/72/65/1380157265.db2.gz YKDZSFGARUXOLH-ZLKQTWRCSA-N 2 0 345.531 3.113 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034006 1380187115 /nfs/dbraw/zinc/18/71/15/1380187115.db2.gz SMBUNHGYPHIVOH-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455101 1380280486 /nfs/dbraw/zinc/28/04/86/1380280486.db2.gz FNKTZHDRDUAFHE-PORCLINASA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455088 1380280499 /nfs/dbraw/zinc/28/04/99/1380280499.db2.gz DZTUVWCCFOETFN-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455009 1380280599 /nfs/dbraw/zinc/28/05/99/1380280599.db2.gz BEVNWVVTGWPCKZ-YLJYHZDGSA-N 2 0 347.547 3.188 20 0 EGADRP CC[N@H+](CCCCc1ccccc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904151 1380374613 /nfs/dbraw/zinc/37/46/13/1380374613.db2.gz MQWQDZQGBSIYMW-LJQANCHMSA-N 2 0 347.547 3.178 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C)c1)[NH+](CC)CC ZINC001155175605 1380419691 /nfs/dbraw/zinc/41/96/91/1380419691.db2.gz ZHXXSBLNJJHKNM-UYAOXDASSA-N 2 0 347.547 3.442 20 0 EGADRP CCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCC[C@@H]2C)cc1 ZINC001155225841 1380426323 /nfs/dbraw/zinc/42/63/23/1380426323.db2.gz AJJLJQIXVAUIPK-ZWKOTPCHSA-N 2 0 345.531 3.060 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155620404 1380474810 /nfs/dbraw/zinc/47/48/10/1380474810.db2.gz GQLGOLYAOXJXRM-QZTJIDSGSA-N 2 0 325.541 3.124 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621089 1380475003 /nfs/dbraw/zinc/47/50/03/1380475003.db2.gz MZSKRKXOTHFLOZ-FAPWYTRCSA-N 2 0 337.552 3.432 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001155997493 1380512036 /nfs/dbraw/zinc/51/20/36/1380512036.db2.gz CXLDOQHYHXUCAQ-RBUKOAKNSA-N 2 0 335.536 3.164 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131261 1380529199 /nfs/dbraw/zinc/52/91/99/1380529199.db2.gz JVAGLPCSEGHMMX-QGZVFWFLSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194769 1380539899 /nfs/dbraw/zinc/53/98/99/1380539899.db2.gz VNZLSOWRTVSEKM-NRJHKNTJSA-N 2 0 345.531 3.258 20 0 EGADRP CN(C)c1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001156315373 1380556902 /nfs/dbraw/zinc/55/69/02/1380556902.db2.gz BEPAKDYBHQDBSE-YSIASYRMSA-N 2 0 336.483 3.470 20 0 EGADRP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409333 1380573089 /nfs/dbraw/zinc/57/30/89/1380573089.db2.gz KZFWEJVJDYPFGR-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156517132 1380587213 /nfs/dbraw/zinc/58/72/13/1380587213.db2.gz NKZMYLSWXRSSBK-DOJUMQAQSA-N 2 0 325.541 3.291 20 0 EGADRP C[C@H](Nc1cc(OC2CC[NH+](C)CC2)cc[nH+]1)c1ccc(F)cn1 ZINC001156678583 1380609357 /nfs/dbraw/zinc/60/93/57/1380609357.db2.gz ASEBCTMMDCYCCD-ZDUSSCGKSA-N 2 0 330.407 3.262 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C)CC1(C)C ZINC001328099557 1388671488 /nfs/dbraw/zinc/67/14/88/1388671488.db2.gz WMXNZBDGINDAIU-IBGZPJMESA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901026 1380721300 /nfs/dbraw/zinc/72/13/00/1380721300.db2.gz IFZWDRXLXSAXFX-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935564 1380733278 /nfs/dbraw/zinc/73/32/78/1380733278.db2.gz SIIAHKLKRFRNTJ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP Cc1cnc(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c(C[NH3+])c1 ZINC001157074508 1380768651 /nfs/dbraw/zinc/76/86/51/1380768651.db2.gz HVSAMPQPAOIPPG-UHFFFAOYSA-N 2 0 342.462 3.089 20 0 EGADRP CC[N@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108691 1380777571 /nfs/dbraw/zinc/77/75/71/1380777571.db2.gz AOPHATBUYPIAKE-CQSZACIVSA-N 2 0 339.549 3.032 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001157893399 1381063508 /nfs/dbraw/zinc/06/35/08/1381063508.db2.gz FFDHKICGTVAKLI-VLUHHTHFSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCCCCc3ccccn3)c2)CC1 ZINC001157975231 1381089842 /nfs/dbraw/zinc/08/98/42/1381089842.db2.gz HCRDPAOSMCYREJ-UHFFFAOYSA-N 2 0 340.471 3.384 20 0 EGADRP C[C@H]([NH3+])c1cccc(C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001158043973 1381110466 /nfs/dbraw/zinc/11/04/66/1381110466.db2.gz ANWQRZDMYXRAIS-OXJNMPFZSA-N 2 0 329.488 3.092 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001158079511 1381122550 /nfs/dbraw/zinc/12/25/50/1381122550.db2.gz DGZDNIVRXRCMQB-KRWDZBQOSA-N 2 0 331.504 3.108 20 0 EGADRP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158128750 1381136949 /nfs/dbraw/zinc/13/69/49/1381136949.db2.gz JCQXCWIRTDJLOV-PSUNPMBVSA-N 2 0 337.552 3.386 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CCCC2)CC1 ZINC001158419539 1381239826 /nfs/dbraw/zinc/23/98/26/1381239826.db2.gz UGWWZSHVIUJPDM-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CCCC2)C1 ZINC001158473968 1381257638 /nfs/dbraw/zinc/25/76/38/1381257638.db2.gz RQGNHRZSWXLNIE-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+]1CCC(N(c2cc3ccc(F)cc3cn2)C2CC[NH2+]CC2)CC1 ZINC001158589151 1381310689 /nfs/dbraw/zinc/31/06/89/1381310689.db2.gz LZQFLUZXSDTWGI-UHFFFAOYSA-N 2 0 342.462 3.027 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001158616691 1381323363 /nfs/dbraw/zinc/32/33/63/1381323363.db2.gz RESHLVRQSDAPAP-AZUAARDMSA-N 2 0 345.531 3.402 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158767975 1381389821 /nfs/dbraw/zinc/38/98/21/1381389821.db2.gz BGZDSILWAFIKNV-OVKVCFKUSA-N 2 0 337.552 3.388 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914362 1381461624 /nfs/dbraw/zinc/46/16/24/1381461624.db2.gz OFGZTMRHJXZOSO-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914694 1381463050 /nfs/dbraw/zinc/46/30/50/1381463050.db2.gz SHQHWRJHPPSVKL-RTBURBONSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)Cc1ccccc1Nc1cccnc1N1CC[NH2+]CC1 ZINC001159186657 1381723868 /nfs/dbraw/zinc/72/38/68/1381723868.db2.gz KOMMJHPZTGXIDM-UHFFFAOYSA-N 2 0 339.487 3.077 20 0 EGADRP c1cc(OC[C@H]2CCCO2)ccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328412381 1388739604 /nfs/dbraw/zinc/73/96/04/1388739604.db2.gz PRYREBSZXUTSBQ-HXUWFJFHSA-N 2 0 344.499 3.210 20 0 EGADRP Cc1c[nH+]ccc1Nc1sc2c(c1C(=O)OC(C)(C)C)CC[NH2+]C2 ZINC001159274238 1381748630 /nfs/dbraw/zinc/74/86/30/1381748630.db2.gz GOAUCBKZSNWNTE-UHFFFAOYSA-N 2 0 345.468 3.218 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc([C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001159365200 1381777891 /nfs/dbraw/zinc/77/78/91/1381777891.db2.gz ATCIZBITTQJZDR-SFHVURJKSA-N 3 0 337.471 3.002 20 0 EGADRP COc1ccc2c(Nc3ccc(N4CC[NH2+]CC4)cc3)cc[nH+]c2c1 ZINC001159455674 1381798699 /nfs/dbraw/zinc/79/86/99/1381798699.db2.gz IGTVAOHBTDCZJK-UHFFFAOYSA-N 2 0 334.423 3.397 20 0 EGADRP c1cc(C2CC[NH2+]CC2)ccc1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159454538 1381798851 /nfs/dbraw/zinc/79/88/51/1381798851.db2.gz CFTHHPKJRYLAAE-UHFFFAOYSA-N 2 0 336.483 3.307 20 0 EGADRP c1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)c(C[NH+]2CCCC2)c1 ZINC001159515501 1381814750 /nfs/dbraw/zinc/81/47/50/1381814750.db2.gz GGXHFDGLXWEZNL-UHFFFAOYSA-N 2 0 336.483 3.436 20 0 EGADRP c1[nH+]cn(Cc2ccccc2)c1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159637239 1381855789 /nfs/dbraw/zinc/85/57/89/1381855789.db2.gz LMDNKABGUHIDHW-UHFFFAOYSA-N 2 0 347.466 3.080 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC001159786697 1381899891 /nfs/dbraw/zinc/89/98/91/1381899891.db2.gz HOJYKUZRVLSPQS-MRXNPFEDSA-N 2 0 341.846 3.386 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839321 1381917067 /nfs/dbraw/zinc/91/70/67/1381917067.db2.gz YEOYHYLCYSTCRE-OALUTQOASA-N 2 0 345.531 3.130 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001159908737 1381933969 /nfs/dbraw/zinc/93/39/69/1381933969.db2.gz JLFSYGIXUSKZOP-HKUYNNGSSA-N 2 0 331.504 3.106 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159908699 1381934314 /nfs/dbraw/zinc/93/43/14/1381934314.db2.gz IWLJHJDAQQTECQ-MSOLQXFVSA-N 2 0 325.541 3.027 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001159908249 1381934639 /nfs/dbraw/zinc/93/46/39/1381934639.db2.gz HSMHDVZVIMLQIC-QLOJAFMTSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001159922957 1381938691 /nfs/dbraw/zinc/93/86/91/1381938691.db2.gz BILWXXSKEKWRHJ-OXQOHEQNSA-N 2 0 345.531 3.307 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142388 1382014756 /nfs/dbraw/zinc/01/47/56/1382014756.db2.gz IQXUJWQTCCZBGL-LJQANCHMSA-N 2 0 347.547 3.189 20 0 EGADRP Fc1cccc(OC2CC[NH2+]CC2)c1Nc1cccc2c1CC[NH2+]C2 ZINC001160149241 1382016460 /nfs/dbraw/zinc/01/64/60/1382016460.db2.gz CTIBWLKIURKPHE-UHFFFAOYSA-N 2 0 341.430 3.346 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001160273683 1382057943 /nfs/dbraw/zinc/05/79/43/1382057943.db2.gz NDHCTCZABHQDHY-LJQANCHMSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001160273351 1382058598 /nfs/dbraw/zinc/05/85/98/1382058598.db2.gz KSMFPGPRSSCOHT-PKOBYXMFSA-N 2 0 331.504 3.026 20 0 EGADRP c1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c(CN2CC[NH2+]CC2)c1 ZINC001160297426 1382066132 /nfs/dbraw/zinc/06/61/32/1382066132.db2.gz YFTFYVXMJQXUOA-HXUWFJFHSA-N 2 0 340.515 3.036 20 0 EGADRP CC(C)=CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160359889 1382082851 /nfs/dbraw/zinc/08/28/51/1382082851.db2.gz FDQLGBIQMSQERQ-FQEVSTJZSA-N 2 0 347.547 3.354 20 0 EGADRP CC[C@H](C(=O)NCCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001160479018 1382118306 /nfs/dbraw/zinc/11/83/06/1382118306.db2.gz JLFSRNFOTHMYIJ-PKOBYXMFSA-N 2 0 337.552 3.147 20 0 EGADRP Cc1ccc2cc(Cl)nc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)c2c1 ZINC001160512923 1382127416 /nfs/dbraw/zinc/12/74/16/1382127416.db2.gz GHWMIEWLYHCBBG-GOSISDBHSA-N 2 0 330.863 3.032 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N(C)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001160696069 1382173446 /nfs/dbraw/zinc/17/34/46/1382173446.db2.gz UDJAANVFRDYSCU-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788046 1382195742 /nfs/dbraw/zinc/19/57/42/1382195742.db2.gz WRNFKJVOHGUTNK-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001160834913 1382212535 /nfs/dbraw/zinc/21/25/35/1382212535.db2.gz QXKROYYHOWRLCO-RBUKOAKNSA-N 2 0 349.563 3.175 20 0 EGADRP Cc1c(Cl)nc(CC(C)C)nc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160951905 1382248614 /nfs/dbraw/zinc/24/86/14/1382248614.db2.gz OIAQFKWLHLHSQP-UHFFFAOYSA-N 2 0 343.862 3.477 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc1 ZINC001160952361 1382248925 /nfs/dbraw/zinc/24/89/25/1382248925.db2.gz XJKRIBXUZZOXKC-IBGZPJMESA-N 3 0 349.482 3.469 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985806 1382261295 /nfs/dbraw/zinc/26/12/95/1382261295.db2.gz JTQPFMMWFKPFLE-IBGZPJMESA-N 2 0 335.536 3.047 20 0 EGADRP CC(C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160990539 1382262996 /nfs/dbraw/zinc/26/29/96/1382262996.db2.gz CCVOIYWSHWJHBX-FQEVSTJZSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001161042161 1382279780 /nfs/dbraw/zinc/27/97/80/1382279780.db2.gz PDGXQIOWPHRWFL-PXNSSMCTSA-N 2 0 345.531 3.451 20 0 EGADRP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101905 1382297995 /nfs/dbraw/zinc/29/79/95/1382297995.db2.gz PLBQHUMXJNTXQM-WAYWQWQTSA-N 2 0 347.547 3.213 20 0 EGADRP CC(C)=CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001161220105 1382346136 /nfs/dbraw/zinc/34/61/36/1382346136.db2.gz UJNOHGVAKAQJTI-UHFFFAOYSA-N 2 0 335.536 3.069 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161220195 1382346562 /nfs/dbraw/zinc/34/65/62/1382346562.db2.gz YMMQKPBCAPMCQP-OALUTQOASA-N 2 0 349.563 3.149 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390813 1382396327 /nfs/dbraw/zinc/39/63/27/1382396327.db2.gz KKOKAUXDFNSJOB-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CCCC)CC1 ZINC001161496931 1382423802 /nfs/dbraw/zinc/42/38/02/1382423802.db2.gz KYBDSOLLNJPWDQ-UHFFFAOYSA-N 2 0 337.552 3.437 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCCCCC2)CC1 ZINC001161645968 1382469167 /nfs/dbraw/zinc/46/91/67/1382469167.db2.gz WLFUYKFOKLZDCA-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001161649574 1382470258 /nfs/dbraw/zinc/47/02/58/1382470258.db2.gz NINWNZHJUPLTCM-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001161649355 1382470548 /nfs/dbraw/zinc/47/05/48/1382470548.db2.gz DHKQZFNIFWUMQG-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP Fc1cccc([C@H](Nc2ccc3c(n2)CC[NH2+]C3)C2CC[NH2+]CC2)c1 ZINC001161821016 1382520475 /nfs/dbraw/zinc/52/04/75/1382520475.db2.gz SDZCGTIOMLPSIM-HXUWFJFHSA-N 2 0 340.446 3.019 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925018 1382555816 /nfs/dbraw/zinc/55/58/16/1382555816.db2.gz UFUNUMRUJYGELU-HDICACEKSA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930594 1382557576 /nfs/dbraw/zinc/55/75/76/1382557576.db2.gz CLGVUXWSYCDUCM-SFHVURJKSA-N 2 0 335.536 3.047 20 0 EGADRP CCOc1cc[nH+]c(N2CCC([NH3+])(Cc3ccccc3F)CC2)c1 ZINC001161986626 1382589474 /nfs/dbraw/zinc/58/94/74/1382589474.db2.gz AJTQWJUTDDUPGG-UHFFFAOYSA-N 2 0 329.419 3.160 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1nc2ccc(Cl)cc2nc1Cl ZINC001162289887 1382722922 /nfs/dbraw/zinc/72/29/22/1382722922.db2.gz CPPDWWAXMQOGRN-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP [NH3+]CCCC[NH2+]CCCNc1ncnc2cc(Cl)c(Cl)cc21 ZINC001162291376 1382723071 /nfs/dbraw/zinc/72/30/71/1382723071.db2.gz CXABQADQJOIUKJ-UHFFFAOYSA-N 2 0 342.274 3.067 20 0 EGADRP COc1cc2cnc(Cl)cc2cc1NCCC[NH2+]CCCC[NH3+] ZINC001162294271 1382723758 /nfs/dbraw/zinc/72/37/58/1382723758.db2.gz FSOMADKLFRENCN-UHFFFAOYSA-N 2 0 336.867 3.027 20 0 EGADRP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162460776 1382763151 /nfs/dbraw/zinc/76/31/51/1382763151.db2.gz KGHVQYNZKGVNGJ-UKRRQHHQSA-N 2 0 332.492 3.422 20 0 EGADRP c1cc2n(c1)C[C@@H](CCNc1cc[nH+]cc1-c1ccccc1)C[NH2+]C2 ZINC001163061375 1382958424 /nfs/dbraw/zinc/95/84/24/1382958424.db2.gz UKCDRSZUOFVRHW-KRWDZBQOSA-N 2 0 332.451 3.194 20 0 EGADRP CC(C)c1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)nc(N(C)C)[nH+]1 ZINC001163212026 1382994192 /nfs/dbraw/zinc/99/41/92/1382994192.db2.gz ROQYRMHFZMNZRO-QAPCUYQASA-N 2 0 325.460 3.181 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCCC2CCC2)CCCCC1 ZINC001163242081 1383003094 /nfs/dbraw/zinc/00/30/94/1383003094.db2.gz IDDGMWFXNIRVOK-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[N@H+](CCC(=O)NCCC[NH2+]CC1CC(C)(C)C1)C1CCCCC1 ZINC001163275210 1383010712 /nfs/dbraw/zinc/01/07/12/1383010712.db2.gz UGYRSZHUIBCJCO-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP CC1CCC(C[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001163291130 1383013845 /nfs/dbraw/zinc/01/38/45/1383013845.db2.gz ZPHSIGCCOCSEMC-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001163851848 1383129490 /nfs/dbraw/zinc/12/94/90/1383129490.db2.gz UTCWDCVNHCWABQ-QZTJIDSGSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001164508667 1383194801 /nfs/dbraw/zinc/19/48/01/1383194801.db2.gz IADZHVJEBVTKRI-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001164514845 1383195320 /nfs/dbraw/zinc/19/53/20/1383195320.db2.gz UIWIDWSYRCBNHU-LJQANCHMSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1cnc(N(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c(C[NH3+])c1 ZINC001165182052 1383242914 /nfs/dbraw/zinc/24/29/14/1383242914.db2.gz LLBNSTHXXIYLCG-YLJYHZDGSA-N 2 0 338.499 3.196 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2cc(F)ccc2O[C@H]2CC[NH2+]C2)cc1 ZINC001165213526 1383249777 /nfs/dbraw/zinc/24/97/77/1383249777.db2.gz NZTBWYDJMZSFDZ-KRWDZBQOSA-N 2 0 329.419 3.372 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001165246031 1383257294 /nfs/dbraw/zinc/25/72/94/1383257294.db2.gz KSMLQGFHIWXGPF-UHFFFAOYSA-N 2 0 349.519 3.411 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165331701 1383274760 /nfs/dbraw/zinc/27/47/60/1383274760.db2.gz AFBICNMJNYJHPP-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165332347 1383275474 /nfs/dbraw/zinc/27/54/74/1383275474.db2.gz IGCPKKDIJGNTES-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP FC(F)Oc1cc[nH+]c(NCc2ccc(CN3CCOCC3)cc2)c1 ZINC001165413770 1383290789 /nfs/dbraw/zinc/29/07/89/1383290789.db2.gz VRNKUVYMSPBVTF-UHFFFAOYSA-N 2 0 349.381 3.127 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001165616792 1383316005 /nfs/dbraw/zinc/31/60/05/1383316005.db2.gz BRKRJXRMFGQUOU-KRWDZBQOSA-N 2 0 339.568 3.275 20 0 EGADRP CC(C)(C)N(c1[nH+]ccc2[nH]ccc21)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165672584 1383323004 /nfs/dbraw/zinc/32/30/04/1383323004.db2.gz UVDOXLNIVWPCFS-CQSZACIVSA-N 2 0 328.460 3.079 20 0 EGADRP Cc1c(C(=O)NCCC2(C[NH2+]CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001165912880 1383363505 /nfs/dbraw/zinc/36/35/05/1383363505.db2.gz XDTHHBASHDXWOF-UHFFFAOYSA-N 2 0 342.487 3.179 20 0 EGADRP O=C(NCCC1(C[NH2+]CC2CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001165975997 1383372312 /nfs/dbraw/zinc/37/23/12/1383372312.db2.gz KUGJHCNUYSOQFC-UHFFFAOYSA-N 2 0 347.547 3.071 20 0 EGADRP CCC(CC)C[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189881 1383400185 /nfs/dbraw/zinc/40/01/85/1383400185.db2.gz RBTFUSITGTUYEA-UHFFFAOYSA-N 2 0 342.487 3.260 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391619 1383418356 /nfs/dbraw/zinc/41/83/56/1383418356.db2.gz WWZMDTPXLFOOCC-RTLBZRNLSA-N 2 0 347.547 3.093 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1C)[NH+](CC)CC ZINC001166439314 1383422653 /nfs/dbraw/zinc/42/26/53/1383422653.db2.gz FDWJIUUSNJRJQY-IEBWSBKVSA-N 2 0 333.520 3.272 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21)[NH+](CC)CC ZINC001166447643 1383423819 /nfs/dbraw/zinc/42/38/19/1383423819.db2.gz MLOHPEYGQKVCLX-OALUTQOASA-N 2 0 349.494 3.029 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166544759 1383436654 /nfs/dbraw/zinc/43/66/54/1383436654.db2.gz HZWXPZKLSTYSIM-VOTSOKGWSA-N 2 0 349.563 3.483 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCCC[NH2+]CCC2CCCC2)cc1 ZINC001166737023 1383468722 /nfs/dbraw/zinc/46/87/22/1383468722.db2.gz YSOWVMBIOKIIEL-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001166750293 1383471244 /nfs/dbraw/zinc/47/12/44/1383471244.db2.gz CASSOAKPWWEEPS-GOSISDBHSA-N 2 0 347.547 3.438 20 0 EGADRP CC(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166801874 1383479396 /nfs/dbraw/zinc/47/93/96/1383479396.db2.gz CNAJKTQADZLJNZ-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001167179174 1383559729 /nfs/dbraw/zinc/55/97/29/1383559729.db2.gz CHZXTYPLRPUEBZ-IBGZPJMESA-N 2 0 349.563 3.483 20 0 EGADRP COc1ccc2c(cc[nH+]c2N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001167206580 1383566681 /nfs/dbraw/zinc/56/66/81/1383566681.db2.gz ZCRNWWYTXFWPRQ-GCJKJVERSA-N 2 0 345.446 3.221 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167225397 1383570017 /nfs/dbraw/zinc/57/00/17/1383570017.db2.gz UEEIRHWRQHMOJO-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167391425 1383620899 /nfs/dbraw/zinc/62/08/99/1383620899.db2.gz IEWWXNCNAPNBQD-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H](C(=O)NCCC[NH2+]CC1CCCCCC1)[NH+]1CCCCCC1 ZINC001167608876 1383688482 /nfs/dbraw/zinc/68/84/82/1383688482.db2.gz KDKSVKPGQIUHDC-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001167620758 1383690731 /nfs/dbraw/zinc/69/07/31/1383690731.db2.gz SKKZFLNJBKKBMH-QZTJIDSGSA-N 2 0 331.504 3.108 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001167640767 1383696550 /nfs/dbraw/zinc/69/65/50/1383696550.db2.gz QYHPXBDAXSPYTE-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CC[NH+](CC)Cc1cc(OC)ccc1-n1nc(C[NH3+])c2ccccc21 ZINC001167700447 1383715547 /nfs/dbraw/zinc/71/55/47/1383715547.db2.gz JBPUYUUXNARRTK-UHFFFAOYSA-N 2 0 338.455 3.335 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001167753570 1383731861 /nfs/dbraw/zinc/73/18/61/1383731861.db2.gz BWAILYHQVKUHAH-UHFFFAOYSA-N 2 0 346.519 3.074 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167811939 1383745983 /nfs/dbraw/zinc/74/59/83/1383745983.db2.gz CLVUDHOWCVEPKX-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001167814870 1383747012 /nfs/dbraw/zinc/74/70/12/1383747012.db2.gz IFGYXPWQESRBHJ-UHFFFAOYSA-N 2 0 345.531 3.021 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001167823532 1383749247 /nfs/dbraw/zinc/74/92/47/1383749247.db2.gz DGWWHPPTRLNHKV-MKXGPGLRSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001167825836 1383749991 /nfs/dbraw/zinc/74/99/91/1383749991.db2.gz LIPCKSMBBJPVHQ-MRXNPFEDSA-N 2 0 330.520 3.265 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2cccc(OC)n2)C1 ZINC001167834118 1383753004 /nfs/dbraw/zinc/75/30/04/1383753004.db2.gz HOQGOSNEXZREHN-MSOLQXFVSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001167833908 1383753569 /nfs/dbraw/zinc/75/35/69/1383753569.db2.gz FQSSMMTZKUEVNY-PKOBYXMFSA-N 2 0 349.519 3.444 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2nccc(C)n2)CC1 ZINC001167836243 1383755363 /nfs/dbraw/zinc/75/53/63/1383755363.db2.gz YHTBRKWOPLLGHR-KRWDZBQOSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001167841102 1383756941 /nfs/dbraw/zinc/75/69/41/1383756941.db2.gz KEAJDSQNABYEHZ-APWZRJJASA-N 2 0 332.488 3.269 20 0 EGADRP COc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167963642 1383780191 /nfs/dbraw/zinc/78/01/91/1383780191.db2.gz AMCRVMKPZMEJGH-YQQQUEKLSA-N 2 0 344.499 3.459 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009319 1383795701 /nfs/dbraw/zinc/79/57/01/1383795701.db2.gz ZXSNSMRYLMQOMN-RMFSNUHRSA-N 3 0 329.532 3.359 20 0 EGADRP COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011512 1383796985 /nfs/dbraw/zinc/79/69/85/1383796985.db2.gz OZZYMZMCYPRWRW-ALXJQNPVSA-N 2 0 332.488 3.217 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024210 1383799489 /nfs/dbraw/zinc/79/94/89/1383799489.db2.gz CJKACDXZHNXTBW-IZZQQSIFSA-N 2 0 345.531 3.322 20 0 EGADRP C[C@@H]1CC([N@@H+]2CC[C@H](O)[C@@H](F)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039543 1383802396 /nfs/dbraw/zinc/80/23/96/1383802396.db2.gz GIEUYSONRSOPOG-YKCBXCCJSA-N 2 0 334.479 3.223 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168044629 1383804343 /nfs/dbraw/zinc/80/43/43/1383804343.db2.gz GILTWZSYOWBMAY-AKHDSKFASA-N 2 0 329.532 3.452 20 0 EGADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168066497 1383809298 /nfs/dbraw/zinc/80/92/98/1383809298.db2.gz PDSBDILXEJDNEE-USNOLKROSA-N 2 0 327.516 3.206 20 0 EGADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001168142446 1383826046 /nfs/dbraw/zinc/82/60/46/1383826046.db2.gz CTKRSTFCUBDQIM-AYWYSENESA-N 2 0 328.500 3.398 20 0 EGADRP CCCCCC[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168297821 1383866681 /nfs/dbraw/zinc/86/66/81/1383866681.db2.gz YFRGBNGIEMRNOI-HDICACEKSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297254 1383866719 /nfs/dbraw/zinc/86/67/19/1383866719.db2.gz LLUHYQWXDPLXGM-SNAWJCMRSA-N 2 0 349.563 3.485 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168297805 1383866723 /nfs/dbraw/zinc/86/67/23/1383866723.db2.gz XMSOCMBAZRNQKS-ROUUACIJSA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297079 1383866921 /nfs/dbraw/zinc/86/69/21/1383866921.db2.gz FTYBMPLNSFLKAE-ARJAWSKDSA-N 2 0 335.536 3.095 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCCC2(C[NH2+]CCC3CC3)CC2)c1 ZINC001168302431 1383867165 /nfs/dbraw/zinc/86/71/65/1383867165.db2.gz SHWSDJUYNRVMIR-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP CCOc1ccccc1N1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168315902 1383871884 /nfs/dbraw/zinc/87/18/84/1383871884.db2.gz QHGHAWNNHXUMBJ-UHFFFAOYSA-N 2 0 331.504 3.080 20 0 EGADRP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CCC([NH+](C)C)CC2)O1 ZINC001168322662 1383872379 /nfs/dbraw/zinc/87/23/79/1383872379.db2.gz VBAZRIUVSZEPDH-WFAGLZIHSA-N 2 0 338.536 3.154 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001168321696 1383872470 /nfs/dbraw/zinc/87/24/70/1383872470.db2.gz KLOQGJZYBFPHJS-RJYAGPCLSA-N 2 0 347.528 3.050 20 0 EGADRP CN(C[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1)C(=O)OC(C)(C)C ZINC001168326690 1383873029 /nfs/dbraw/zinc/87/30/29/1383873029.db2.gz DKTMWLVPUPGUPO-KLAILNCOSA-N 2 0 339.524 3.048 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCN(c3ccc4ccccc4n3)CC2)CC1 ZINC001168326994 1383873114 /nfs/dbraw/zinc/87/31/14/1383873114.db2.gz HSGKAZJWDAZPSA-UHFFFAOYSA-N 2 0 338.499 3.230 20 0 EGADRP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329184 1383873868 /nfs/dbraw/zinc/87/38/68/1383873868.db2.gz OVVBUXLLGBUTGK-ZGRYLRDCSA-N 2 0 339.524 3.237 20 0 EGADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001168329395 1383874127 /nfs/dbraw/zinc/87/41/27/1383874127.db2.gz RUAHGNWMBZQGHI-GTPINHCMSA-N 2 0 339.524 3.191 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001168335228 1383875906 /nfs/dbraw/zinc/87/59/06/1383875906.db2.gz CBIMAKKXVFPJIY-IBGZPJMESA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)(C)OC(=O)NCCCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353822 1383880296 /nfs/dbraw/zinc/88/02/96/1383880296.db2.gz VVWKWSCFWYLUDY-UHFFFAOYSA-N 2 0 339.524 3.145 20 0 EGADRP O=C(CCCC[NH2+]C1CC[NH+](CC2CC2)CC1)OCc1ccccc1 ZINC001168359518 1383882345 /nfs/dbraw/zinc/88/23/45/1383882345.db2.gz BCWHLSNKWKKNFV-UHFFFAOYSA-N 2 0 344.499 3.364 20 0 EGADRP CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168366692 1383884688 /nfs/dbraw/zinc/88/46/88/1383884688.db2.gz YFMQUDUVCHUYHW-UHFFFAOYSA-N 2 0 339.524 3.144 20 0 EGADRP COc1ccc(CC2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168368542 1383885267 /nfs/dbraw/zinc/88/52/67/1383885267.db2.gz KYSMKKZKHBABCF-UHFFFAOYSA-N 2 0 328.500 3.482 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168413024 1383900152 /nfs/dbraw/zinc/90/01/52/1383900152.db2.gz VRYBORSWESPBPA-FQEVSTJZSA-N 2 0 342.458 3.413 20 0 EGADRP Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001168415321 1383900510 /nfs/dbraw/zinc/90/05/10/1383900510.db2.gz NQJIHTMOPIRRSI-OAQYLSRUSA-N 2 0 346.490 3.164 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001306846803 1383910221 /nfs/dbraw/zinc/91/02/21/1383910221.db2.gz ZHEGYEZQFSZDEA-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CCC[N@H+](C)C3)CCO2)cc1 ZINC001168591182 1383943649 /nfs/dbraw/zinc/94/36/49/1383943649.db2.gz UDLUZZYTWQOEJP-HQRMLTQVSA-N 2 0 332.488 3.237 20 0 EGADRP COC1CCC(Nc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)CC1 ZINC001168608889 1383947642 /nfs/dbraw/zinc/94/76/42/1383947642.db2.gz RPTXHQGKUAHAJB-UHFFFAOYSA-N 2 0 331.504 3.227 20 0 EGADRP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[C@H]([NH+](C)C)CC3)CCO2)cc1 ZINC001168616470 1383949058 /nfs/dbraw/zinc/94/90/58/1383949058.db2.gz NHYCSIYXGJOKOW-MLYOOKFZSA-N 2 0 332.488 3.378 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC001168653438 1383959155 /nfs/dbraw/zinc/95/91/55/1383959155.db2.gz QYSJNFBWMRFWNN-HXUWFJFHSA-N 2 0 347.547 3.266 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH+]3CCC([N@H+](C)C4CC4)CC3)CCO2)cc1 ZINC001168665368 1383963787 /nfs/dbraw/zinc/96/37/87/1383963787.db2.gz PNWHMLPUTPFJRE-FPOVZHCZSA-N 2 0 344.499 3.474 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C(C)C ZINC001168666457 1383964819 /nfs/dbraw/zinc/96/48/19/1383964819.db2.gz HCEXHSUCNJRUTA-QGZVFWFLSA-N 2 0 327.557 3.275 20 0 EGADRP COC(=O)C1(C)CCC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001168762171 1383994677 /nfs/dbraw/zinc/99/46/77/1383994677.db2.gz MZNFRGBWUAJVNS-UHFFFAOYSA-N 2 0 336.520 3.210 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168810098 1384014496 /nfs/dbraw/zinc/01/44/96/1384014496.db2.gz ZGEGWKLKGODCNY-NVXWUHKLSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)[N@H+]([C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168832172 1384024585 /nfs/dbraw/zinc/02/45/85/1384024585.db2.gz CWJMHKMLRJPCQB-LUKYLMHMSA-N 2 0 339.524 3.365 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C2 ZINC001169094946 1384106149 /nfs/dbraw/zinc/10/61/49/1384106149.db2.gz NVPOBGRBSXOSTI-YQLLOFTFSA-N 2 0 337.508 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001169109422 1384108536 /nfs/dbraw/zinc/10/85/36/1384108536.db2.gz IFVQSXZNTFSAGD-JONQDZQNSA-N 2 0 327.447 3.394 20 0 EGADRP COc1ccccc1CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC001169109579 1384108682 /nfs/dbraw/zinc/10/86/82/1384108682.db2.gz DVPXJHUKQDUYGM-LDLYASANSA-N 2 0 344.499 3.002 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3F)CCOCC1)C2 ZINC001169120183 1384109707 /nfs/dbraw/zinc/10/97/07/1384109707.db2.gz ZFAIUJZUVWTAFI-BCDXTJNWSA-N 2 0 332.463 3.132 20 0 EGADRP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126864 1384111112 /nfs/dbraw/zinc/11/11/12/1384111112.db2.gz YEUPJAQCWMRJKU-WKCHPHFGSA-N 2 0 327.516 3.208 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC001308231181 1384111405 /nfs/dbraw/zinc/11/14/05/1384111405.db2.gz SHYFBWQCTOSBNB-KRWDZBQOSA-N 2 0 330.520 3.139 20 0 EGADRP CC[C@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001308235416 1384111619 /nfs/dbraw/zinc/11/16/19/1384111619.db2.gz XHWWSAYNHBWPHA-GOSISDBHSA-N 2 0 329.532 3.328 20 0 EGADRP COc1ccccc1OCC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169152195 1384115883 /nfs/dbraw/zinc/11/58/83/1384115883.db2.gz AHNQSGGIEBLIFQ-BWTSREIZSA-N 2 0 344.499 3.411 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]([C@@H]3CCCc4ccccc43)CC1)C2 ZINC001169156423 1384116921 /nfs/dbraw/zinc/11/69/21/1384116921.db2.gz YDQFOQPZHHOARA-FCIYXJNOSA-N 2 0 339.527 3.307 20 0 EGADRP CCOC(=O)CCC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160359 1384117708 /nfs/dbraw/zinc/11/77/08/1384117708.db2.gz DALGDNRWYVAZFK-PMOLBWCYSA-N 2 0 344.499 3.457 20 0 EGADRP CC[NH+]1CCC([NH2+]CCCc2ccc(Br)cc2)CC1 ZINC001169220852 1384123917 /nfs/dbraw/zinc/12/39/17/1384123917.db2.gz UTPIMKLECGXQNM-UHFFFAOYSA-N 2 0 325.294 3.456 20 0 EGADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169230864 1384125272 /nfs/dbraw/zinc/12/52/72/1384125272.db2.gz NCTIZBZJTHIAEC-INIZCTEOSA-N 2 0 339.524 3.098 20 0 EGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCCCCCCCCC[NH3+])CO1 ZINC001169350183 1384138851 /nfs/dbraw/zinc/13/88/51/1384138851.db2.gz SXOMJOAVLDFNMU-QZTJIDSGSA-N 2 0 342.524 3.156 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308745335 1384146915 /nfs/dbraw/zinc/14/69/15/1384146915.db2.gz VLZHNDSMFGHTTA-LJQANCHMSA-N 2 0 341.540 3.297 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC001308744369 1384147018 /nfs/dbraw/zinc/14/70/18/1384147018.db2.gz USESOHMULKOTHG-AWEZNQCLSA-N 2 0 338.398 3.172 20 0 EGADRP CCN(CC)C(=O)C[C@H](C)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169453071 1384149647 /nfs/dbraw/zinc/14/96/47/1384149647.db2.gz UBNTUQZWFQUWIZ-ULQDDVLXSA-N 2 0 325.541 3.251 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001308897944 1384157561 /nfs/dbraw/zinc/15/75/61/1384157561.db2.gz QZGTWQCPUQOQSK-CRAIPNDOSA-N 2 0 336.439 3.081 20 0 EGADRP [NH3+]Cc1ccc2c(n1)N(c1cccc3c1C1(C=C3)CC[NH2+]CC1)CCC2 ZINC001169592477 1384163079 /nfs/dbraw/zinc/16/30/79/1384163079.db2.gz USLJXZHYKAXIQY-UHFFFAOYSA-N 2 0 346.478 3.273 20 0 EGADRP CC(=O)N1CCC[C@H]([N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169593278 1384163287 /nfs/dbraw/zinc/16/32/87/1384163287.db2.gz DYHXKVXYLLZVPA-ACRUOGEOSA-N 2 0 343.515 3.078 20 0 EGADRP CCOC(=O)N1CCC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001169661205 1384170050 /nfs/dbraw/zinc/17/00/50/1384170050.db2.gz GYBDQUMPNVOCNF-OAHLLOKOSA-N 2 0 339.524 3.238 20 0 EGADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169720921 1384178292 /nfs/dbraw/zinc/17/82/92/1384178292.db2.gz LXWJQOHDHROWKZ-HXUWFJFHSA-N 2 0 343.515 3.003 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169728059 1384179053 /nfs/dbraw/zinc/17/90/53/1384179053.db2.gz JFQNRIPRXZXESU-HXUWFJFHSA-N 2 0 343.515 3.001 20 0 EGADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169733724 1384180617 /nfs/dbraw/zinc/18/06/17/1384180617.db2.gz OFPDYQONSWQNIX-KRWDZBQOSA-N 2 0 341.540 3.345 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(NCC34CC[NH+](CC3)CC4)c(C)c2)CC1 ZINC001169794423 1384186662 /nfs/dbraw/zinc/18/66/62/1384186662.db2.gz MTBCQUXPIWQHQX-UHFFFAOYSA-N 2 0 340.515 3.397 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797914 1384186968 /nfs/dbraw/zinc/18/69/68/1384186968.db2.gz KWRWYGLNMRWAMZ-XEFROOKYSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797912 1384187072 /nfs/dbraw/zinc/18/70/72/1384187072.db2.gz KWRWYGLNMRWAMZ-FLXMXVCVSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169799946 1384187467 /nfs/dbraw/zinc/18/74/67/1384187467.db2.gz YSHFEZSINSUIJZ-UYAOXDASSA-N 2 0 345.531 3.162 20 0 EGADRP CC[NH+](CC)Cc1cc(OC)ccc1NCC12CC[NH+](CC1)CC2 ZINC001169799728 1384187510 /nfs/dbraw/zinc/18/75/10/1384187510.db2.gz HSJISUYBYDGKLF-UHFFFAOYSA-N 2 0 331.504 3.435 20 0 EGADRP C[NH+]1C(C)(C)CC(Nc2ncc(F)c(C3CC[NH2+]CC3)n2)CC1(C)C ZINC001170452509 1384322785 /nfs/dbraw/zinc/32/27/85/1384322785.db2.gz AHECTRZEAVEPJS-UHFFFAOYSA-N 2 0 349.498 3.146 20 0 EGADRP CC[C@@H]1CC([NH2+]C[C@@H](C)C[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170474336 1384326597 /nfs/dbraw/zinc/32/65/97/1384326597.db2.gz HQWTXQMQHNXWNS-NUEKZKHPSA-N 2 0 327.513 3.128 20 0 EGADRP CCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001170599408 1384348006 /nfs/dbraw/zinc/34/80/06/1384348006.db2.gz NTSZSMLDSQKHED-ZRNYENFQSA-N 2 0 347.551 3.422 20 0 EGADRP COc1ccccc1CC1([NH3+])CC[NH+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170736813 1384375482 /nfs/dbraw/zinc/37/54/82/1384375482.db2.gz CLOILPMSHAZZBH-BCDXTJNWSA-N 2 0 328.500 3.466 20 0 EGADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001170752045 1384378995 /nfs/dbraw/zinc/37/89/95/1384378995.db2.gz WTIYSRXNSIJBHV-HKUYNNGSSA-N 2 0 337.552 3.314 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001170785685 1384385217 /nfs/dbraw/zinc/38/52/17/1384385217.db2.gz UPXRGINDMVBPRG-HXUWFJFHSA-N 2 0 345.531 3.246 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170795293 1384387026 /nfs/dbraw/zinc/38/70/26/1384387026.db2.gz JWKNKBSRUORANQ-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820077 1384391163 /nfs/dbraw/zinc/39/11/63/1384391163.db2.gz WOTZOYUMFAKLQA-IEBWSBKVSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170818480 1384391568 /nfs/dbraw/zinc/39/15/68/1384391568.db2.gz SIIBSCUSRAFTFI-PXNSSMCTSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861690 1384400694 /nfs/dbraw/zinc/40/06/94/1384400694.db2.gz GDSJPEBEVTVWQR-KZNAEPCWSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]CCCC(C)C)c1ccccc1 ZINC001170867431 1384401582 /nfs/dbraw/zinc/40/15/82/1384401582.db2.gz ILAGLIMKNXXBMH-LJQANCHMSA-N 2 0 333.520 3.212 20 0 EGADRP Cc1ccc(-c2csc3ncnc(N[C@H]([NH3+])CCC[NH3+])c23)s1 ZINC001170897571 1384407306 /nfs/dbraw/zinc/40/73/06/1384407306.db2.gz NWTWCFYIFZFQNZ-LBPRGKRZSA-N 2 0 333.486 3.164 20 0 EGADRP CCCCOc1c(Br)cc(C)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170906686 1384408271 /nfs/dbraw/zinc/40/82/71/1384408271.db2.gz XIOOOZOCONYWSY-CQSZACIVSA-N 2 0 344.297 3.372 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171027221 1384432182 /nfs/dbraw/zinc/43/21/82/1384432182.db2.gz REFAFFDLDCRTSZ-KRWDZBQOSA-N 2 0 336.907 3.288 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001171173439 1384460126 /nfs/dbraw/zinc/46/01/26/1384460126.db2.gz CNYBVDANSILZSO-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001171175080 1384461279 /nfs/dbraw/zinc/46/12/79/1384461279.db2.gz PVWZPRVELCWDLT-OALUTQOASA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235674 1384476503 /nfs/dbraw/zinc/47/65/03/1384476503.db2.gz INUXCZIDGYXLAQ-MSOLQXFVSA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001171236131 1384476515 /nfs/dbraw/zinc/47/65/15/1384476515.db2.gz LHJXWNKAZKDINH-IEBWSBKVSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238241 1384476569 /nfs/dbraw/zinc/47/65/69/1384476569.db2.gz SLCHIPMLYLRVER-MRXNPFEDSA-N 2 0 349.494 3.075 20 0 EGADRP COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1ccccc1C[NH3+])CC2 ZINC001171300846 1384489111 /nfs/dbraw/zinc/48/91/11/1384489111.db2.gz MEZPZIWEROSDIW-HNNXBMFYSA-N 2 0 330.859 3.454 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330308 1384496103 /nfs/dbraw/zinc/49/61/03/1384496103.db2.gz SNELGAPURSMYPZ-QZTJIDSGSA-N 2 0 325.541 3.316 20 0 EGADRP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001171519739 1384549396 /nfs/dbraw/zinc/54/93/96/1384549396.db2.gz JABBDHOLDLNYCT-OAHLLOKOSA-N 2 0 338.417 3.425 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542395 1384558014 /nfs/dbraw/zinc/55/80/14/1384558014.db2.gz QAMHDDIMRSJEGD-AWEZNQCLSA-N 2 0 326.406 3.235 20 0 EGADRP Cc1cccc2c1CC[C@H]([NH2+]Cc1cccc(N3CC[NH+](C)CC3)c1)C2 ZINC001171549513 1384559534 /nfs/dbraw/zinc/55/95/34/1384559534.db2.gz BVXLRNMKMFFJKH-NRFANRHFSA-N 2 0 349.522 3.394 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH+]1CCC([NH3+])(Cc3cccnc3)CC1)C2 ZINC001171558534 1384562242 /nfs/dbraw/zinc/56/22/42/1384562242.db2.gz LDTJETVOZCQMNA-HXUWFJFHSA-N 2 0 335.495 3.283 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001171578819 1384570443 /nfs/dbraw/zinc/57/04/43/1384570443.db2.gz JFOFBOCVTSJEAX-UHFFFAOYSA-N 2 0 341.499 3.168 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001171585960 1384572445 /nfs/dbraw/zinc/57/24/45/1384572445.db2.gz GHIUMIBQTZHWEP-AWEZNQCLSA-N 2 0 347.494 3.027 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171619329 1384582419 /nfs/dbraw/zinc/58/24/19/1384582419.db2.gz JZUCPWQZMMRTOE-OKILXGFUSA-N 2 0 339.524 3.283 20 0 EGADRP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171628881 1384585350 /nfs/dbraw/zinc/58/53/50/1384585350.db2.gz LEGUIANJDMHJJK-MRXNPFEDSA-N 2 0 337.552 3.218 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001171726209 1384614400 /nfs/dbraw/zinc/61/44/00/1384614400.db2.gz YLVZYAUZVMCUPR-UHFFFAOYSA-N 2 0 345.531 3.282 20 0 EGADRP C[C@H]1C[C@@H](N(C(N)=[NH2+])c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171727464 1384615749 /nfs/dbraw/zinc/61/57/49/1384615749.db2.gz CTPRQFRSNYLLMI-KBXCAEBGSA-N 2 0 326.419 3.189 20 0 EGADRP C[C@@H]1C[C@H](n2nc(CC[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171733499 1384619356 /nfs/dbraw/zinc/61/93/56/1384619356.db2.gz UFGMENNNUUDPOI-AEFFLSMTSA-N 2 0 334.467 3.373 20 0 EGADRP C[C@H]1C[C@@H](N2CC[NH+](C)CC23CCCC3)C[N@@H+]1Cc1ccccc1 ZINC001171767543 1384629992 /nfs/dbraw/zinc/62/99/92/1384629992.db2.gz PAUDEAYFKGRAQD-AZUAARDMSA-N 2 0 327.516 3.210 20 0 EGADRP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812936 1384646987 /nfs/dbraw/zinc/64/69/87/1384646987.db2.gz UZMRTRQTBKHUAS-INIZCTEOSA-N 2 0 328.460 3.179 20 0 EGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC12CCC2 ZINC001171838572 1384657374 /nfs/dbraw/zinc/65/73/74/1384657374.db2.gz GAJVGWNDDZZUGE-HRCADAONSA-N 2 0 337.508 3.168 20 0 EGADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171885155 1384671738 /nfs/dbraw/zinc/67/17/38/1384671738.db2.gz CTXCFJYNBSNPRE-SLFFLAALSA-N 2 0 343.515 3.144 20 0 EGADRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171960453 1384696439 /nfs/dbraw/zinc/69/64/39/1384696439.db2.gz ZRVCEUVIKAZCJH-OAHLLOKOSA-N 2 0 345.453 3.239 20 0 EGADRP CC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171961644 1384696660 /nfs/dbraw/zinc/69/66/60/1384696660.db2.gz ACWZFWWQUCZCQP-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963909 1384697418 /nfs/dbraw/zinc/69/74/18/1384697418.db2.gz FUGJIOXCOIJFJF-QGZVFWFLSA-N 2 0 332.488 3.218 20 0 EGADRP CC1(C)C[C@@H]([NH2+]CCN2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171971371 1384699771 /nfs/dbraw/zinc/69/97/71/1384699771.db2.gz HIBHKNZMDBVLEE-IBGZPJMESA-N 2 0 347.572 3.068 20 0 EGADRP COCCN(CCOC)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976078 1384700233 /nfs/dbraw/zinc/70/02/33/1384700233.db2.gz HYGYQOIOLATRFH-IBGZPJMESA-N 2 0 334.504 3.024 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCN2CCC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974572 1384700831 /nfs/dbraw/zinc/70/08/31/1384700831.db2.gz HPCBTUJTIHYVOY-VQTJNVASSA-N 2 0 347.522 3.453 20 0 EGADRP CC1(C)C[C@H]([NH+]2CC[C@@H](F)[C@@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977903 1384701904 /nfs/dbraw/zinc/70/19/04/1384701904.db2.gz USGRJQYOTPEMQY-QRVBRYPASA-N 2 0 334.479 3.224 20 0 EGADRP CC1(C)C[C@H]([NH+]2CC[C@H](O)[C@@H](F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977906 1384702765 /nfs/dbraw/zinc/70/27/65/1384702765.db2.gz USGRJQYOTPEMQY-QYZOEREBSA-N 2 0 334.479 3.224 20 0 EGADRP CN1CCC[C@@H]2C[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171985860 1384703118 /nfs/dbraw/zinc/70/31/18/1384703118.db2.gz CKRABAWVDXKMTQ-QHAWAJNXSA-N 2 0 341.543 3.456 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001316935921 1384707084 /nfs/dbraw/zinc/70/70/84/1384707084.db2.gz SQZDPRSFQKVBOB-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP c1cn(CCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172068018 1384715676 /nfs/dbraw/zinc/71/56/76/1384715676.db2.gz PMPAKKPJHYGKOB-MZADTFQBSA-N 2 0 338.499 3.449 20 0 EGADRP CCOC(=O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069393 1384718596 /nfs/dbraw/zinc/71/85/96/1384718596.db2.gz UFASRHUNSKGNHN-LDLYASANSA-N 2 0 330.472 3.115 20 0 EGADRP Cn1cc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172074062 1384719956 /nfs/dbraw/zinc/71/99/56/1384719956.db2.gz TXBIOGSJIUUQDD-MZADTFQBSA-N 2 0 338.499 3.138 20 0 EGADRP COCC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC(F)(F)CC1 ZINC001172109535 1384729930 /nfs/dbraw/zinc/72/99/30/1384729930.db2.gz DYSRDSBHKYRYRW-MUJYYYPQSA-N 2 0 330.463 3.433 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc(F)cc1 ZINC001172113470 1384731771 /nfs/dbraw/zinc/73/17/71/1384731771.db2.gz HKWQLWYIPWAJOT-OKYOBFRVSA-N 2 0 347.478 3.394 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172113568 1384731846 /nfs/dbraw/zinc/73/18/46/1384731846.db2.gz KMWUYYYXDKJPTP-AYWYSENESA-N 2 0 331.548 3.412 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129040 1384737746 /nfs/dbraw/zinc/73/77/46/1384737746.db2.gz VPEZSNRDKADKLI-FVQHAEBGSA-N 2 0 349.519 3.087 20 0 EGADRP Fc1ccccc1C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172222613 1384751557 /nfs/dbraw/zinc/75/15/57/1384751557.db2.gz HWHFEOMMDZWASQ-YQQQUEKLSA-N 2 0 332.463 3.337 20 0 EGADRP CC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172397171 1384784360 /nfs/dbraw/zinc/78/43/60/1384784360.db2.gz JNPUPXZVKGUZRC-QHAWAJNXSA-N 2 0 345.531 3.429 20 0 EGADRP CC(C)OCC[C@H](C)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001172445825 1384792968 /nfs/dbraw/zinc/79/29/68/1384792968.db2.gz UNFSVOQOCHHDJH-XNUZUHMRSA-N 2 0 338.476 3.326 20 0 EGADRP COc1ccccc1CC1([NH3+])CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172469432 1384799797 /nfs/dbraw/zinc/79/97/97/1384799797.db2.gz SVGWJSNQBSTQSK-GOSISDBHSA-N 2 0 348.531 3.482 20 0 EGADRP CC(C)COCC[C@H](C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172469843 1384799939 /nfs/dbraw/zinc/79/99/39/1384799939.db2.gz VGAQFDIXIYTEOD-IBGZPJMESA-N 2 0 340.552 3.262 20 0 EGADRP [NH3+]CCCOCCOCCC[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172543569 1384810019 /nfs/dbraw/zinc/81/00/19/1384810019.db2.gz RGASWFCWYYQFFD-UXHICEINSA-N 2 0 334.504 3.075 20 0 EGADRP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172810942 1384857728 /nfs/dbraw/zinc/85/77/28/1384857728.db2.gz VDBWVPSTLJSZBS-KEFQUANISA-N 2 0 349.519 3.155 20 0 EGADRP CC(C)[NH+]1CCC(C[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172943961 1384885650 /nfs/dbraw/zinc/88/56/50/1384885650.db2.gz MSVQJFBSYGIJTA-MRXNPFEDSA-N 2 0 341.540 3.342 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173055167 1384902817 /nfs/dbraw/zinc/90/28/17/1384902817.db2.gz RKUGXTVUOYSJPD-IRXDYDNUSA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001173104310 1384915404 /nfs/dbraw/zinc/91/54/04/1384915404.db2.gz HGYVCKMPFHLVFV-UHFFFAOYSA-N 2 0 341.540 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2(c3cccc(OC)c3)COC2)CC1 ZINC001173107220 1384915983 /nfs/dbraw/zinc/91/59/83/1384915983.db2.gz LNZYLUUNUWTJPZ-UHFFFAOYSA-N 2 0 332.488 3.163 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C/C=C/CNC(=O)OC(C)(C)C)CC1 ZINC001173106867 1384916462 /nfs/dbraw/zinc/91/64/62/1384916462.db2.gz GJRWXZYEXMJCAI-CMDGGOBGSA-N 2 0 339.524 3.310 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(C(=O)c3cccs3)CC2)CC1 ZINC001173113064 1384917968 /nfs/dbraw/zinc/91/79/68/1384917968.db2.gz HPBWXFNCENEUGY-UHFFFAOYSA-N 2 0 349.544 3.159 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2ncsc2C1 ZINC001173144200 1384923244 /nfs/dbraw/zinc/92/32/44/1384923244.db2.gz SMXYBOXXIZCGOZ-ZWKOTPCHSA-N 2 0 341.524 3.454 20 0 EGADRP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccccc1)C[C@@H](C)C[NH3+])CO2 ZINC001173165044 1384928160 /nfs/dbraw/zinc/92/81/60/1384928160.db2.gz RKENTQJKHZTMAP-FUHWJXTLSA-N 2 0 340.467 3.096 20 0 EGADRP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001173276557 1384948367 /nfs/dbraw/zinc/94/83/67/1384948367.db2.gz IWRUSIMZVUTQPZ-IEBWSBKVSA-N 2 0 330.520 3.429 20 0 EGADRP CC[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280986 1384950133 /nfs/dbraw/zinc/95/01/33/1384950133.db2.gz QRGTWSUARNEXMI-FYZZASKESA-N 2 0 343.515 3.183 20 0 EGADRP CC[N@@H+]1CC[C@@H](N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173372805 1384965594 /nfs/dbraw/zinc/96/55/94/1384965594.db2.gz RONHLQRVKFEIAT-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001173436868 1384970093 /nfs/dbraw/zinc/97/00/93/1384970093.db2.gz ZTTHBVWPOZSREZ-QGZVFWFLSA-N 2 0 332.488 3.494 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]CCCC1CC[NH+](C)CC1)CC2 ZINC001173606783 1384986883 /nfs/dbraw/zinc/98/68/83/1384986883.db2.gz QXWGENPTTPJLEH-FDYSRKEFSA-N 2 0 336.520 3.210 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC001173614959 1384989010 /nfs/dbraw/zinc/98/90/10/1384989010.db2.gz ZKOJHTHCIIUOJD-MOMVYJMYSA-N 2 0 348.531 3.449 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)C1 ZINC001173629529 1384991607 /nfs/dbraw/zinc/99/16/07/1384991607.db2.gz ASXMRFZKOYGZBJ-MOPGFXCFSA-N 2 0 336.520 3.210 20 0 EGADRP C[NH+](C)Cc1ccccc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001173932949 1385032946 /nfs/dbraw/zinc/03/29/46/1385032946.db2.gz VTWAICPCXTUTTI-UHFFFAOYSA-N 2 0 339.483 3.367 20 0 EGADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001174927124 1385170845 /nfs/dbraw/zinc/17/08/45/1385170845.db2.gz ARLDEDLZGXCADH-ZWKOTPCHSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174950695 1385173813 /nfs/dbraw/zinc/17/38/13/1385173813.db2.gz YGTFWDSPGLHYKP-ZWKOTPCHSA-N 2 0 327.557 3.275 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174960141 1385174805 /nfs/dbraw/zinc/17/48/05/1385174805.db2.gz FDUNCUWNIUOUHH-ROUUACIJSA-N 2 0 333.520 3.354 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175114849 1385197174 /nfs/dbraw/zinc/19/71/74/1385197174.db2.gz HAVVYPGTXMOWAX-ZWKOTPCHSA-N 2 0 327.557 3.273 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256256 1385230860 /nfs/dbraw/zinc/23/08/60/1385230860.db2.gz JZYHTSMEPPDEFZ-MSOLQXFVSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262112 1385232709 /nfs/dbraw/zinc/23/27/09/1385232709.db2.gz AZJDRKHCHNNWNI-OALUTQOASA-N 2 0 349.563 3.483 20 0 EGADRP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264358 1385234378 /nfs/dbraw/zinc/23/43/78/1385234378.db2.gz UAAZBYREUFMYIS-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264357 1385234797 /nfs/dbraw/zinc/23/47/97/1385234797.db2.gz UAAZBYREUFMYIS-ROUUACIJSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCc1ccccc1)[NH+](C)C ZINC001175303448 1385245074 /nfs/dbraw/zinc/24/50/74/1385245074.db2.gz FKNNPVOXJVMSSB-ICSRJNTNSA-N 2 0 347.547 3.224 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001175317552 1385250859 /nfs/dbraw/zinc/25/08/59/1385250859.db2.gz PGSWTZFCVMKONX-QUCCMNQESA-N 2 0 347.547 3.408 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001175387992 1385272201 /nfs/dbraw/zinc/27/22/01/1385272201.db2.gz FMBPMUVADODAJW-SXLOBPIMSA-N 2 0 345.531 3.005 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001317540967 1385279214 /nfs/dbraw/zinc/27/92/14/1385279214.db2.gz PHSWSEDZQIGGJN-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175767149 1385398979 /nfs/dbraw/zinc/39/89/79/1385398979.db2.gz CRLPBBDZAWMHOH-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC001335985271 1388983690 /nfs/dbraw/zinc/98/36/90/1388983690.db2.gz BXMUFMVWDNRBIV-RBUKOAKNSA-N 2 0 348.531 3.062 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176112630 1385488037 /nfs/dbraw/zinc/48/80/37/1385488037.db2.gz XCZGGUQYLASMRV-FXAWDEMLSA-N 2 0 333.520 3.138 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231227 1385521584 /nfs/dbraw/zinc/52/15/84/1385521584.db2.gz QRNHEHUXEJKJDI-IPLHWJFFSA-N 2 0 325.541 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176286834 1385539637 /nfs/dbraw/zinc/53/96/37/1385539637.db2.gz YPPDYGIGKWIHTR-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)CCCC(C)(C)C)CC1 ZINC001317882005 1385560091 /nfs/dbraw/zinc/56/00/91/1385560091.db2.gz MNGQBRGBDRPABN-UHFFFAOYSA-N 2 0 339.568 3.325 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001318046389 1385616498 /nfs/dbraw/zinc/61/64/98/1385616498.db2.gz AVBRQQUFCDKRNY-KRWDZBQOSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566214 1385627720 /nfs/dbraw/zinc/62/77/20/1385627720.db2.gz ZQEYBSHRKXFGSY-IEBWSBKVSA-N 2 0 335.536 3.093 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001176573534 1385629231 /nfs/dbraw/zinc/62/92/31/1385629231.db2.gz NAADJAOJHYWKMV-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176575253 1385630257 /nfs/dbraw/zinc/63/02/57/1385630257.db2.gz YMOXJNKECHSWFN-GOSISDBHSA-N 2 0 345.531 3.109 20 0 EGADRP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176739646 1385677500 /nfs/dbraw/zinc/67/75/00/1385677500.db2.gz XYVUHXFOQXCOOX-KRWDZBQOSA-N 2 0 333.520 3.282 20 0 EGADRP CCCc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001318428706 1385684022 /nfs/dbraw/zinc/68/40/22/1385684022.db2.gz MKRQJMNCZZLXRP-PMACEKPBSA-N 2 0 345.531 3.012 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176753951 1385684255 /nfs/dbraw/zinc/68/42/55/1385684255.db2.gz OROSAOCMCXVWEB-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001176754483 1385685233 /nfs/dbraw/zinc/68/52/33/1385685233.db2.gz WSHDBIILQOMQFD-IBGZPJMESA-N 2 0 347.547 3.408 20 0 EGADRP CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176813734 1385710900 /nfs/dbraw/zinc/71/09/00/1385710900.db2.gz BAKGVTGMPPADRM-ROUUACIJSA-N 2 0 343.531 3.265 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001176953205 1385753783 /nfs/dbraw/zinc/75/37/83/1385753783.db2.gz GTCMEZMZZNTGKN-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001318561806 1385757781 /nfs/dbraw/zinc/75/77/81/1385757781.db2.gz KQNFOIDAXKRIQB-ROUUACIJSA-N 2 0 337.552 3.172 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001176991456 1385766141 /nfs/dbraw/zinc/76/61/41/1385766141.db2.gz BTXHYKONNWIJLK-UXHICEINSA-N 2 0 345.531 3.354 20 0 EGADRP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997684 1385768857 /nfs/dbraw/zinc/76/88/57/1385768857.db2.gz WSYGYUOFXWYAQW-RURPWVQCSA-N 2 0 337.552 3.339 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001176998968 1385768942 /nfs/dbraw/zinc/76/89/42/1385768942.db2.gz OCTITKYXMVKNOX-AZUAARDMSA-N 2 0 345.531 3.272 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001176997585 1385769453 /nfs/dbraw/zinc/76/94/53/1385769453.db2.gz SPKZVAFQEQJGSA-IBGZPJMESA-N 2 0 335.536 3.093 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)N(C)c1ccccc1 ZINC001177262883 1385889033 /nfs/dbraw/zinc/88/90/33/1385889033.db2.gz ZRMOFWJJPAMBST-SFHVURJKSA-N 2 0 341.499 3.242 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177335647 1385918237 /nfs/dbraw/zinc/91/82/37/1385918237.db2.gz IRGGBSFEQHMQMT-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)c(C)c1 ZINC001177336680 1385918925 /nfs/dbraw/zinc/91/89/25/1385918925.db2.gz SGAZLYUXTAUZQM-UHFFFAOYSA-N 2 0 345.531 3.165 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001177365969 1385931066 /nfs/dbraw/zinc/93/10/66/1385931066.db2.gz MOHDSTFRGQORJZ-UHFFFAOYSA-N 2 0 342.487 3.356 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]CCF)CC1CCCC1)[NH+](CC)CC ZINC001177412426 1385946970 /nfs/dbraw/zinc/94/69/70/1385946970.db2.gz ASJAXNQNERAGJK-GOSISDBHSA-N 2 0 343.531 3.075 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)[NH+](C)C ZINC001177415672 1385948497 /nfs/dbraw/zinc/94/84/97/1385948497.db2.gz HYIFBNOWSRDPDW-MSOLQXFVSA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001177416228 1385949234 /nfs/dbraw/zinc/94/92/34/1385949234.db2.gz WPUUUPCFBNHHQM-UYAOXDASSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]C[C@@H](C)CC)CC1CCCC1 ZINC001177466682 1385966300 /nfs/dbraw/zinc/96/63/00/1385966300.db2.gz BGEHRYYSBXXKKW-SFHVURJKSA-N 2 0 339.568 3.373 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N(CCC[NH2+]CC2CCCC2)CC2CCCC2)C1 ZINC001177477551 1385971246 /nfs/dbraw/zinc/97/12/46/1385971246.db2.gz GJDBMUQNDFZUEJ-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)Cc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC001177784307 1386044268 /nfs/dbraw/zinc/04/42/68/1386044268.db2.gz MPNVZUCADYEBIH-FQEVSTJZSA-N 2 0 329.532 3.143 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)[C@H]3CCC[N@@H+]3C)CCCC2)c1 ZINC001698628450 1406270747 /nfs/dbraw/zinc/27/07/47/1406270747.db2.gz ULLYVCQCXPHXGK-IEBWSBKVSA-N 2 0 343.515 3.169 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CCCC1 ZINC001319385903 1386096093 /nfs/dbraw/zinc/09/60/93/1386096093.db2.gz DOHVQLDTSGIBDJ-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001319390226 1386100551 /nfs/dbraw/zinc/10/05/51/1386100551.db2.gz XGIVDMRIHUJWPN-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001178045637 1386115511 /nfs/dbraw/zinc/11/55/11/1386115511.db2.gz QLSYBJSEIGQTDA-VQTJNVASSA-N 2 0 345.531 3.498 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001178045747 1386115922 /nfs/dbraw/zinc/11/59/22/1386115922.db2.gz UMUICFJDSGYQTJ-APWZRJJASA-N 2 0 349.494 3.247 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178484346 1386231597 /nfs/dbraw/zinc/23/15/97/1386231597.db2.gz SVAFCHGNPISVTG-RTBURBONSA-N 2 0 337.552 3.317 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001319708822 1386262621 /nfs/dbraw/zinc/26/26/21/1386262621.db2.gz GGTKXHHPEYTPSQ-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178689730 1386278518 /nfs/dbraw/zinc/27/85/18/1386278518.db2.gz XERKHCXWCKPVEE-QHWWWDCYSA-N 2 0 335.536 3.185 20 0 EGADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CCCC1CCC1)C1CC1 ZINC001178698648 1386281404 /nfs/dbraw/zinc/28/14/04/1386281404.db2.gz PRKPYNQOQYSHGH-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CC1=CCCCC1)C1CCC1 ZINC001178702899 1386284317 /nfs/dbraw/zinc/28/43/17/1386284317.db2.gz ZCNQFJCYDAHRQH-UHFFFAOYSA-N 2 0 335.536 3.237 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808589 1386313236 /nfs/dbraw/zinc/31/32/36/1386313236.db2.gz NWOJCTINAFSFSK-GOSISDBHSA-N 2 0 337.552 3.175 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810416 1386314212 /nfs/dbraw/zinc/31/42/12/1386314212.db2.gz FROGRAGJUPTKLF-MOPGFXCFSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178826984 1386319243 /nfs/dbraw/zinc/31/92/43/1386319243.db2.gz BYFDKQUPLISGPI-HXUWFJFHSA-N 2 0 345.531 3.246 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178894223 1386340066 /nfs/dbraw/zinc/34/00/66/1386340066.db2.gz BMAFIYOBTYBESF-SFHVURJKSA-N 2 0 348.535 3.220 20 0 EGADRP CC[C@H](F)C[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001178908579 1386345623 /nfs/dbraw/zinc/34/56/23/1386345623.db2.gz ZEWYNCNIVSMQKC-INIZCTEOSA-N 2 0 348.466 3.271 20 0 EGADRP Cc1c(C(=O)NCCCCCC[NH2+]C/C=C\Cl)ccc2c[nH+]cn21 ZINC001178908521 1386345838 /nfs/dbraw/zinc/34/58/38/1386345838.db2.gz WJSWRFYJYFBDPY-TWGQIWQCSA-N 2 0 348.878 3.275 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178920639 1386349368 /nfs/dbraw/zinc/34/93/68/1386349368.db2.gz CCYOJXXWFVCMJU-ROUUACIJSA-N 2 0 343.531 3.121 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001179134652 1386407339 /nfs/dbraw/zinc/40/73/39/1386407339.db2.gz PXHMRNLNKJBLID-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CCCC1 ZINC001319969319 1386426193 /nfs/dbraw/zinc/42/61/93/1386426193.db2.gz XMOSCEVSBQGZTP-FQEVSTJZSA-N 2 0 345.531 3.282 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001179234376 1386428411 /nfs/dbraw/zinc/42/84/11/1386428411.db2.gz MDINVZFWGLUSBO-AOIWGVFYSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179234356 1386428421 /nfs/dbraw/zinc/42/84/21/1386428421.db2.gz LSVICEBTCWGSAS-SQNIBIBYSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179238829 1386429170 /nfs/dbraw/zinc/42/91/70/1386429170.db2.gz BSAYUDGAJVVLCJ-IRXDYDNUSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C)[NH+](CC)CC ZINC001179516426 1386503242 /nfs/dbraw/zinc/50/32/42/1386503242.db2.gz BBBFUNYSMVVSIN-WDSOQIARSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C)[NH+](CC)CC ZINC001179521685 1386504605 /nfs/dbraw/zinc/50/46/05/1386504605.db2.gz SJEJUUUPWSQMKD-SNRMKQJTSA-N 2 0 349.494 3.025 20 0 EGADRP Cc1c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc2c[nH+]cn21 ZINC001320092054 1386506849 /nfs/dbraw/zinc/50/68/49/1386506849.db2.gz AZBYKGFJBAJOCK-HXUWFJFHSA-N 2 0 348.450 3.210 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001179564921 1386516192 /nfs/dbraw/zinc/51/61/92/1386516192.db2.gz KAXLRPWALLRFDH-ROUUACIJSA-N 2 0 327.557 3.419 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@H+]2CCC[C@H]2C)cc1 ZINC001179580572 1386521634 /nfs/dbraw/zinc/52/16/34/1386521634.db2.gz ISTNHXCCFFYTJX-LJQANCHMSA-N 2 0 345.531 3.246 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001179586875 1386524558 /nfs/dbraw/zinc/52/45/58/1386524558.db2.gz UVOKRLNJEZMCBJ-SFHVURJKSA-N 2 0 339.568 3.421 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC001179609508 1386531229 /nfs/dbraw/zinc/53/12/29/1386531229.db2.gz SFZDDABPIFXVRD-MJGOQNOKSA-N 2 0 333.520 3.354 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001179746082 1386570477 /nfs/dbraw/zinc/57/04/77/1386570477.db2.gz NZFODLISTGPYHP-ROUUACIJSA-N 2 0 343.531 3.264 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001179748705 1386570637 /nfs/dbraw/zinc/57/06/37/1386570637.db2.gz GACCBVHAAVZFSW-ICSRJNTNSA-N 2 0 345.531 3.278 20 0 EGADRP C[C@H](C(=O)NCCCCCC[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001179746556 1386571084 /nfs/dbraw/zinc/57/10/84/1386571084.db2.gz XDCXBCNXJJJERK-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179777042 1386581437 /nfs/dbraw/zinc/58/14/37/1386581437.db2.gz NVUIVVQEXGRUPF-KRWDZBQOSA-N 2 0 348.535 3.435 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC2CCC2)CC1 ZINC001179965188 1386651397 /nfs/dbraw/zinc/65/13/97/1386651397.db2.gz WFFKUGHVWVFCAP-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967803 1386652399 /nfs/dbraw/zinc/65/23/99/1386652399.db2.gz JHCLIPOVSNJNEY-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)c1cccc(-n2ccnc2)c1 ZINC001179977020 1386655649 /nfs/dbraw/zinc/65/56/49/1386655649.db2.gz CWGKWGAXHIRHCH-UHFFFAOYSA-N 2 0 328.460 3.162 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001179978660 1386656371 /nfs/dbraw/zinc/65/63/71/1386656371.db2.gz HDMXEHLVXLGLBM-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CC1CCC(C[NH2+]CCCCCCNC(=O)Cc2cncn2C)CC1 ZINC001180065283 1386685454 /nfs/dbraw/zinc/68/54/54/1386685454.db2.gz LXHUCRBMPHRXRO-UHFFFAOYSA-N 2 0 348.535 3.055 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068279 1386686956 /nfs/dbraw/zinc/68/69/56/1386686956.db2.gz DWTPQXWCOFNFLT-SFHVURJKSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)CS1 ZINC001320719006 1386700798 /nfs/dbraw/zinc/70/07/98/1386700798.db2.gz KQKCGUJDMUPNKG-WOJBJXKFSA-N 2 0 347.572 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001180123268 1386703819 /nfs/dbraw/zinc/70/38/19/1386703819.db2.gz DLVUUVAGAQIIPQ-UHFFFAOYSA-N 2 0 333.520 3.103 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204630 1386731913 /nfs/dbraw/zinc/73/19/13/1386731913.db2.gz WHLUMBYOSUWCIP-QYZOEREBSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180212032 1386734748 /nfs/dbraw/zinc/73/47/48/1386734748.db2.gz XYRSHNMKOOLELF-QYZOEREBSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001180278633 1386753462 /nfs/dbraw/zinc/75/34/62/1386753462.db2.gz JJKFFLFNIKNVFU-UHFFFAOYSA-N 2 0 349.563 3.319 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC001180350356 1386771543 /nfs/dbraw/zinc/77/15/43/1386771543.db2.gz ZAAJIGNZRHSXLV-UHFFFAOYSA-N 2 0 344.425 3.271 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180351400 1386771926 /nfs/dbraw/zinc/77/19/26/1386771926.db2.gz BEMQLMLBPRDFKW-OALUTQOASA-N 2 0 345.531 3.326 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180369376 1386775709 /nfs/dbraw/zinc/77/57/09/1386775709.db2.gz BMQQKDZEZCDJAV-UHFFFAOYSA-N 2 0 337.552 3.483 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180373274 1386777508 /nfs/dbraw/zinc/77/75/08/1386777508.db2.gz ZUIXQKLOERFGRJ-ZWKOTPCHSA-N 2 0 325.541 3.173 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196834 1386837685 /nfs/dbraw/zinc/83/76/85/1386837685.db2.gz UDTVXEBSGNAUTM-GOSISDBHSA-N 2 0 326.488 3.251 20 0 EGADRP CC(C)[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001698693848 1406337908 /nfs/dbraw/zinc/33/79/08/1406337908.db2.gz FNEQCVAEKQEDDW-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181941765 1387080280 /nfs/dbraw/zinc/08/02/80/1387080280.db2.gz OYHYVIUSLSGQGP-YGKRFTFPSA-N 2 0 337.552 3.147 20 0 EGADRP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001182170037 1387116319 /nfs/dbraw/zinc/11/63/19/1387116319.db2.gz QAAQQFFGYDKLLM-YFVAEKQCSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@H+](CC)[C@@H](C(=O)NCC[NH+](CC)CC)c1ccccc1 ZINC001182231585 1387126690 /nfs/dbraw/zinc/12/66/90/1387126690.db2.gz KHORTANFHSNIPF-LJQANCHMSA-N 2 0 333.520 3.308 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322282028 1387138063 /nfs/dbraw/zinc/13/80/63/1387138063.db2.gz VDHNEXSJWYAKEQ-XLIONFOSSA-N 2 0 347.547 3.333 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182369990 1387157875 /nfs/dbraw/zinc/15/78/75/1387157875.db2.gz WOLVWXNTFHJATB-ROQDKOEBSA-N 2 0 349.563 3.147 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001322370923 1387172892 /nfs/dbraw/zinc/17/28/92/1387172892.db2.gz NJJGOQLEAMOMPY-PMACEKPBSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623703 1387198388 /nfs/dbraw/zinc/19/83/88/1387198388.db2.gz SBQQCBVFIGKYGQ-DAHFBQOPSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC001322653475 1387219906 /nfs/dbraw/zinc/21/99/06/1387219906.db2.gz VDRJAOCQVQVVGO-UHFFFAOYSA-N 2 0 328.504 3.016 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CCc4c3cccc4F)CC2)CC1 ZINC001336068004 1389006213 /nfs/dbraw/zinc/00/62/13/1389006213.db2.gz UGUHFOQEPLWJNR-NRFANRHFSA-N 2 0 345.506 3.303 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4[NH2+]C[C@@H]5C[C@@H]54)n3)cc2)CC1 ZINC001329234484 1389030297 /nfs/dbraw/zinc/03/02/97/1389030297.db2.gz DHCVGZZNQDPPIY-OKZBNKHCSA-N 2 0 338.455 3.249 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336739473 1389151861 /nfs/dbraw/zinc/15/18/61/1389151861.db2.gz NUCRTWGOEFIIJT-GHTZIAJQSA-N 2 0 326.484 3.063 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001329549520 1389152236 /nfs/dbraw/zinc/15/22/36/1389152236.db2.gz JZMRJTIHAMZUFK-QZTJIDSGSA-N 2 0 347.547 3.470 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC001336785283 1389168722 /nfs/dbraw/zinc/16/87/22/1389168722.db2.gz NHODQVDIIWQYTK-MLGOLLRUSA-N 2 0 328.859 3.223 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001698723981 1406372416 /nfs/dbraw/zinc/37/24/16/1406372416.db2.gz BMSGGGJMCJGSJJ-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001331324660 1389702066 /nfs/dbraw/zinc/70/20/66/1389702066.db2.gz LVPJDQKYTBQFHJ-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001332326278 1390087733 /nfs/dbraw/zinc/08/77/33/1390087733.db2.gz ZXSFYODQMOIAET-UYAOXDASSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001332439243 1390118417 /nfs/dbraw/zinc/11/84/17/1390118417.db2.gz GFXOEKDEFXLMLE-MRXNPFEDSA-N 2 0 347.422 3.138 20 0 EGADRP CC(C)(C[NH3+])CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001340201873 1390248511 /nfs/dbraw/zinc/24/85/11/1390248511.db2.gz QSEWLWBESQTJES-UHFFFAOYSA-N 2 0 331.504 3.054 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2C1 ZINC001333839650 1390419606 /nfs/dbraw/zinc/41/96/06/1390419606.db2.gz AAFWEIUVXCINPC-MBOZVWFJSA-N 2 0 342.462 3.174 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2C1 ZINC001333839651 1390419833 /nfs/dbraw/zinc/41/98/33/1390419833.db2.gz AAFWEIUVXCINPC-SQGPQFPESA-N 2 0 342.462 3.174 20 0 EGADRP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001341643136 1390513381 /nfs/dbraw/zinc/51/33/81/1390513381.db2.gz AQECSXOCQHSDPH-RDJZCZTQSA-N 2 0 349.544 3.328 20 0 EGADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCCC1 ZINC001341642996 1390513473 /nfs/dbraw/zinc/51/34/73/1390513473.db2.gz AABFUECGLDLSNP-IBGZPJMESA-N 2 0 335.536 3.055 20 0 EGADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001334309365 1390514696 /nfs/dbraw/zinc/51/46/96/1390514696.db2.gz SNFWIQPPFPBRGT-ZCNNSNEGSA-N 2 0 343.515 3.098 20 0 EGADRP CN(c1ccccc1C[NH2+]CCCC(F)F)C1CC[NH+](C)CC1 ZINC001334328202 1390517812 /nfs/dbraw/zinc/51/78/12/1390517812.db2.gz KTRWIVOYYOGQDD-UHFFFAOYSA-N 2 0 325.447 3.352 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001342063169 1390566833 /nfs/dbraw/zinc/56/68/33/1390566833.db2.gz MBFKESAJRGLIJP-ZHALLVOQSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)C[C@H]2C1 ZINC001334723475 1390574848 /nfs/dbraw/zinc/57/48/48/1390574848.db2.gz DYDJNFLTJHMZFU-ZHALLVOQSA-N 2 0 342.462 3.309 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2nccn2C)cc1 ZINC001345632071 1390870488 /nfs/dbraw/zinc/87/04/88/1390870488.db2.gz ISMGUBFIVZVQOE-MRXNPFEDSA-N 2 0 340.471 3.366 20 0 EGADRP [NH3+]C[C@H]1CCCN(Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001345942511 1390896137 /nfs/dbraw/zinc/89/61/37/1390896137.db2.gz BUKOJROZKJYPQC-SNVBAGLBSA-N 2 0 336.329 3.060 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)c1ccccc1C ZINC001488685513 1391702064 /nfs/dbraw/zinc/70/20/64/1391702064.db2.gz KTLAYRLNJNQNEE-MOPGFXCFSA-N 2 0 345.531 3.321 20 0 EGADRP C[NH+](C)CCCC[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC001353272393 1391980501 /nfs/dbraw/zinc/98/05/01/1391980501.db2.gz HDTLHOMZMODILK-QGZVFWFLSA-N 2 0 339.483 3.087 20 0 EGADRP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001698841682 1406538934 /nfs/dbraw/zinc/53/89/34/1406538934.db2.gz SAZPFBSZZBMNMN-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001353899267 1392106321 /nfs/dbraw/zinc/10/63/21/1392106321.db2.gz JHEXSEACFSBESX-WDEREUQCSA-N 2 0 336.329 3.249 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001479299235 1392208001 /nfs/dbraw/zinc/20/80/01/1392208001.db2.gz JAESRCBSYSQBRR-IMFGXOCKSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001479835577 1392421142 /nfs/dbraw/zinc/42/11/42/1392421142.db2.gz XOXCEGQVTOYOFP-MJGOQNOKSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001479993662 1392525263 /nfs/dbraw/zinc/52/52/63/1392525263.db2.gz PLJSLOYRBXHHNB-IBGZPJMESA-N 2 0 337.552 3.362 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480081215 1392570575 /nfs/dbraw/zinc/57/05/75/1392570575.db2.gz LBHCHYXHUSXBCM-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264251 1392648805 /nfs/dbraw/zinc/64/88/05/1392648805.db2.gz BWKKYQHDOMDRRF-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC001480382659 1392726165 /nfs/dbraw/zinc/72/61/65/1392726165.db2.gz MIAPHVWKTGRRRQ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001480382164 1392726227 /nfs/dbraw/zinc/72/62/27/1392726227.db2.gz HQLNYJAQPOVVAB-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480526469 1392779465 /nfs/dbraw/zinc/77/94/65/1392779465.db2.gz JTVVWWZLXOFZEZ-IRXDYDNUSA-N 2 0 347.547 3.481 20 0 EGADRP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001480624587 1392827436 /nfs/dbraw/zinc/82/74/36/1392827436.db2.gz ICGLSCDUESLQRI-YJJPMGAVSA-N 2 0 343.515 3.299 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001480710501 1392872648 /nfs/dbraw/zinc/87/26/48/1392872648.db2.gz QXVJVMPIJXJQOM-WOJBJXKFSA-N 2 0 349.563 3.460 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([N@H+](C)C/C=C/Cl)C2)c1 ZINC001480742451 1392908970 /nfs/dbraw/zinc/90/89/70/1392908970.db2.gz LKTYQEJWPHPUKW-OPUMOTSWSA-N 2 0 349.906 3.037 20 0 EGADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001480813551 1392951182 /nfs/dbraw/zinc/95/11/82/1392951182.db2.gz IMLDGRLEOSLWJR-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(F)c1 ZINC001480979436 1393064432 /nfs/dbraw/zinc/06/44/32/1393064432.db2.gz JEPGMIDTUDLVFG-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)CCC[NH+]1CCCCC1)c1ccccc1 ZINC001481371085 1394211945 /nfs/dbraw/zinc/21/19/45/1394211945.db2.gz AHYOHVBBSZTTJF-LJQANCHMSA-N 2 0 331.504 3.108 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481405632 1394258386 /nfs/dbraw/zinc/25/83/86/1394258386.db2.gz KOIYMVZUXRVCNJ-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CCCC[NH+]1CCC(N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001490619181 1394286143 /nfs/dbraw/zinc/28/61/43/1394286143.db2.gz VSYYYIYDFQZFCD-UHFFFAOYSA-N 2 0 339.568 3.467 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001481444195 1394296857 /nfs/dbraw/zinc/29/68/57/1394296857.db2.gz KJRKQPGAGQAHIW-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001490761885 1394323323 /nfs/dbraw/zinc/32/33/23/1394323323.db2.gz FBGPJPKVTJXOOP-KRWDZBQOSA-N 2 0 342.487 3.227 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001490925917 1394375780 /nfs/dbraw/zinc/37/57/80/1394375780.db2.gz JVMICGKOMFAVCO-BJLQDIEVSA-N 2 0 345.531 3.161 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481526676 1394378038 /nfs/dbraw/zinc/37/80/38/1394378038.db2.gz XWIKHJOZLJUYNQ-AQNXPRMDSA-N 2 0 345.531 3.305 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481526675 1394378535 /nfs/dbraw/zinc/37/85/35/1394378535.db2.gz XWIKHJOZLJUYNQ-AABGKKOBSA-N 2 0 345.531 3.305 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001481526678 1394378642 /nfs/dbraw/zinc/37/86/42/1394378642.db2.gz XXFOWJVVMVIXBZ-PKOBYXMFSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccc(F)cc1 ZINC001490950098 1394383302 /nfs/dbraw/zinc/38/33/02/1394383302.db2.gz YQESYPGMZOHAGW-CADBVGFASA-N 2 0 349.494 3.100 20 0 EGADRP CC1CC(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491235334 1394487964 /nfs/dbraw/zinc/48/79/64/1394487964.db2.gz DCCFZWMCWAYICM-SOAGJPPSSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@H+](CCC(=O)NC1(C[NH2+]CC2CC2)CCCC1)C1CCCCC1 ZINC001481900710 1394586955 /nfs/dbraw/zinc/58/69/55/1394586955.db2.gz AHRSDCKXEOAWGJ-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001482173001 1394786397 /nfs/dbraw/zinc/78/63/97/1394786397.db2.gz DCDZQKCDKWUBDK-UZLBHIALSA-N 2 0 345.531 3.020 20 0 EGADRP CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001482470810 1395026036 /nfs/dbraw/zinc/02/60/36/1395026036.db2.gz SUKSSJRIMVDDNJ-HUUCEWRRSA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001482483063 1395036871 /nfs/dbraw/zinc/03/68/71/1395036871.db2.gz OHNLWMIETAOSSK-FXAWDEMLSA-N 2 0 345.531 3.235 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001483959603 1395163139 /nfs/dbraw/zinc/16/31/39/1395163139.db2.gz ZAYPFZQMJYJKCU-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(C)CC[NH+](CC3CCCCC3)CC2)C1 ZINC001484142386 1395278516 /nfs/dbraw/zinc/27/85/16/1395278516.db2.gz ZHTDMFONKWLZQP-GOSISDBHSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)CC2)CCC1 ZINC001484716623 1395477101 /nfs/dbraw/zinc/47/71/01/1395477101.db2.gz OAJFUPWRGDEAGC-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001484982964 1395623662 /nfs/dbraw/zinc/62/36/62/1395623662.db2.gz USJRQWZREIYUAC-QQXWZLKESA-N 2 0 343.515 3.011 20 0 EGADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289348 1395766180 /nfs/dbraw/zinc/76/61/80/1395766180.db2.gz ZXPAWYDAWRDOOA-VQIMIIECSA-N 2 0 345.531 3.015 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)[C@H](C)c1ccccc1 ZINC001485300728 1395778924 /nfs/dbraw/zinc/77/89/24/1395778924.db2.gz FPMKFRRYASLCBB-QZTJIDSGSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001485960459 1396174018 /nfs/dbraw/zinc/17/40/18/1396174018.db2.gz GYTYAVKCWLVMPS-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001486211712 1396183356 /nfs/dbraw/zinc/18/33/56/1396183356.db2.gz XPUUWXCYPUFLET-PMACEKPBSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001505409599 1396293155 /nfs/dbraw/zinc/29/31/55/1396293155.db2.gz GBVLDLYKKKRFEE-LPHOPBHVSA-N 2 0 349.494 3.081 20 0 EGADRP CC(C)(C)CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494558242 1396468521 /nfs/dbraw/zinc/46/85/21/1396468521.db2.gz BOCAMYQCJWJTTK-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001699004819 1406824318 /nfs/dbraw/zinc/82/43/18/1406824318.db2.gz ZUNWMWQDSYJTIB-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001495458426 1396535884 /nfs/dbraw/zinc/53/58/84/1396535884.db2.gz ROBFMTWUZYQOGM-UDTPNQRGSA-N 2 0 349.494 3.244 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001495949463 1396575456 /nfs/dbraw/zinc/57/54/56/1396575456.db2.gz OHMMVCMPIKGLKS-UBAGTECSSA-N 2 0 341.927 3.020 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001496560389 1396715484 /nfs/dbraw/zinc/71/54/84/1396715484.db2.gz BGHUDFCQJVHXJA-LJQANCHMSA-N 2 0 345.531 3.018 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001497297395 1396745210 /nfs/dbraw/zinc/74/52/10/1396745210.db2.gz FEYYZDOBTNDZRB-KXBFYZLASA-N 2 0 349.494 3.029 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)CC1CC[NH+](C)CC1 ZINC001497464130 1396758063 /nfs/dbraw/zinc/75/80/63/1396758063.db2.gz KBDIVTSKLKNRKO-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001497474070 1396761201 /nfs/dbraw/zinc/76/12/01/1396761201.db2.gz QAZXTIGRFOPFAV-GOSISDBHSA-N 2 0 345.531 3.306 20 0 EGADRP CCCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](C(C)C)CC1 ZINC001690138863 1404336994 /nfs/dbraw/zinc/33/69/94/1404336994.db2.gz SBGZPDOGHBFKPN-UHFFFAOYSA-N 2 0 337.552 3.364 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001690197117 1404405905 /nfs/dbraw/zinc/40/59/05/1404405905.db2.gz GZVGVQKIVPZNIW-LJQANCHMSA-N 2 0 345.531 3.007 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CCC1CC1 ZINC001690492735 1404606349 /nfs/dbraw/zinc/60/63/49/1404606349.db2.gz UJHNTZUPJCQGLZ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001690650005 1404681337 /nfs/dbraw/zinc/68/13/37/1404681337.db2.gz CIYCRWDXKWACNU-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001690996762 1404914128 /nfs/dbraw/zinc/91/41/28/1404914128.db2.gz SPFBKRSVQOPNDJ-IBGZPJMESA-N 2 0 345.531 3.370 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1ccccc1F ZINC001691044718 1404955829 /nfs/dbraw/zinc/95/58/29/1404955829.db2.gz DPCTXGHDOMOXGV-QGZVFWFLSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691065802 1404992461 /nfs/dbraw/zinc/99/24/61/1404992461.db2.gz GLIKJBLNLZSVMI-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]([C@@H](C)c1ccccc1)C1CC1 ZINC001691211497 1405151788 /nfs/dbraw/zinc/15/17/88/1405151788.db2.gz UCWSEOYDDZBTCO-FXAWDEMLSA-N 2 0 343.515 3.203 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898450 1405620486 /nfs/dbraw/zinc/62/04/86/1405620486.db2.gz PRWISWOPFXSYDP-RTBURBONSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001691990128 1405703120 /nfs/dbraw/zinc/70/31/20/1405703120.db2.gz VORDJQOLMUOSLM-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001698551456 1406149317 /nfs/dbraw/zinc/14/93/17/1406149317.db2.gz PMDCGWHLFWIASH-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001698602765 1406229219 /nfs/dbraw/zinc/22/92/19/1406229219.db2.gz OZFBBADUDJPRHM-AEFFLSMTSA-N 2 0 331.504 3.025 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC3CCC(C)(C)CC3)CCCC2)C1 ZINC001732237903 1428483595 /nfs/dbraw/zinc/48/35/95/1428483595.db2.gz VFPYMTXGUGVGBW-SFHVURJKSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1)[NH+]1CCCCCC1 ZINC001732312066 1428524606 /nfs/dbraw/zinc/52/46/06/1428524606.db2.gz NPINEKFKPPULDE-STWIMJHSSA-N 2 0 341.927 3.020 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001699219667 1412583787 /nfs/dbraw/zinc/58/37/87/1412583787.db2.gz FUWPHZKVHJLVBX-LPHOPBHVSA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699471746 1412853480 /nfs/dbraw/zinc/85/34/80/1412853480.db2.gz LQGXWRNWAOBRNP-MSOLQXFVSA-N 2 0 339.568 3.226 20 0 EGADRP CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001699688170 1413088820 /nfs/dbraw/zinc/08/88/20/1413088820.db2.gz MZWQMJWDVIZQNL-UHFFFAOYSA-N 2 0 349.563 3.364 20 0 EGADRP CCC(CC)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001699689676 1413093397 /nfs/dbraw/zinc/09/33/97/1413093397.db2.gz SYRIGPVKJRNIKS-IBGZPJMESA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001699696044 1413105711 /nfs/dbraw/zinc/10/57/11/1413105711.db2.gz YIJJBTAGNMXLIV-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC001699772699 1413179861 /nfs/dbraw/zinc/17/98/61/1413179861.db2.gz RTRDLCMFSXIQHO-IBGZPJMESA-N 2 0 345.531 3.278 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001699774293 1413183015 /nfs/dbraw/zinc/18/30/15/1413183015.db2.gz PRLVLPBKEUTDIG-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001700101878 1413519599 /nfs/dbraw/zinc/51/95/99/1413519599.db2.gz VXHDVFIJCRVTKC-QWFCFKBJSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(C)c2)CC1 ZINC001700105200 1413524053 /nfs/dbraw/zinc/52/40/53/1413524053.db2.gz LTWZBCNUSRMDGI-KESTWPANSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001700365308 1413888215 /nfs/dbraw/zinc/88/82/15/1413888215.db2.gz VJAWFBQDPOQQCJ-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001700822130 1414478270 /nfs/dbraw/zinc/47/82/70/1414478270.db2.gz NXVVOFBRIZOMKQ-XLIONFOSSA-N 2 0 345.531 3.231 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700841275 1414491435 /nfs/dbraw/zinc/49/14/35/1414491435.db2.gz LVQZHBSAYIHQAM-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700841273 1414491632 /nfs/dbraw/zinc/49/16/32/1414491632.db2.gz LVQZHBSAYIHQAM-AEFFLSMTSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001733014259 1429133663 /nfs/dbraw/zinc/13/36/63/1429133663.db2.gz MCUQRROGWGPOJK-SFHVURJKSA-N 2 0 347.547 3.184 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccccc1C ZINC001713002083 1417555831 /nfs/dbraw/zinc/55/58/31/1417555831.db2.gz GYCABWHGVQCDDK-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001713004739 1417558623 /nfs/dbraw/zinc/55/86/23/1417558623.db2.gz STOSUGWJKSWPNG-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713134407 1417712595 /nfs/dbraw/zinc/71/25/95/1417712595.db2.gz MZZHZBSZKUHNLX-LJQANCHMSA-N 2 0 345.531 3.007 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713173547 1417746277 /nfs/dbraw/zinc/74/62/77/1417746277.db2.gz IHWVQRWZEAMMHI-NSISKUIASA-N 2 0 345.531 3.450 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001713398925 1418018856 /nfs/dbraw/zinc/01/88/56/1418018856.db2.gz AUMIYOLFRJZBSO-RBUKOAKNSA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001713485917 1418180519 /nfs/dbraw/zinc/18/05/19/1418180519.db2.gz NIZIWPGCFBKYQQ-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713536136 1418289940 /nfs/dbraw/zinc/28/99/40/1418289940.db2.gz RHQQVFFNJZNIDH-GOSISDBHSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1ccccc1C ZINC001713546314 1418316562 /nfs/dbraw/zinc/31/65/62/1418316562.db2.gz HDTZYPJBCKHFDL-QWFCFKBJSA-N 2 0 345.531 3.224 20 0 EGADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001713720297 1418491667 /nfs/dbraw/zinc/49/16/67/1418491667.db2.gz SSZLWWTVIOFQMM-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001713737249 1418533556 /nfs/dbraw/zinc/53/35/56/1418533556.db2.gz BPXHARCZEPTOPA-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713754158 1418557401 /nfs/dbraw/zinc/55/74/01/1418557401.db2.gz BMAAKWNYEKTBHV-PMACEKPBSA-N 2 0 347.547 3.142 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001713760301 1418568799 /nfs/dbraw/zinc/56/87/99/1418568799.db2.gz CHNFIXYWXNEVTP-IOJLRTSASA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)[NH+](CC)CC ZINC001713765621 1418578828 /nfs/dbraw/zinc/57/88/28/1418578828.db2.gz AJZKUDBEDLIFEF-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCc1ccc(C[N@H+]2CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C2)cc1 ZINC001714049522 1418847854 /nfs/dbraw/zinc/84/78/54/1418847854.db2.gz JKQOVOTWRDVRQA-HXUWFJFHSA-N 2 0 345.531 3.014 20 0 EGADRP Cc1ccccc1C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714572699 1419306324 /nfs/dbraw/zinc/30/63/24/1419306324.db2.gz RGYLNSJUOWTUCI-FQEVSTJZSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714616364 1419379226 /nfs/dbraw/zinc/37/92/26/1419379226.db2.gz HRTNPQPXANGNTM-QUCCMNQESA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1Cl ZINC001714731349 1419486673 /nfs/dbraw/zinc/48/66/73/1419486673.db2.gz OZIMAYAAKSQSBB-OAHLLOKOSA-N 2 0 349.906 3.077 20 0 EGADRP C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001714757778 1419496806 /nfs/dbraw/zinc/49/68/06/1419496806.db2.gz VWVPXFTZRZNABU-KRWDZBQOSA-N 2 0 341.499 3.291 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCC2)CCCCC1 ZINC001733219863 1429339751 /nfs/dbraw/zinc/33/97/51/1429339751.db2.gz ABZWSQOTYKLRMH-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1 ZINC001714991723 1419723638 /nfs/dbraw/zinc/72/36/38/1419723638.db2.gz KTIBCCJHAUWYLP-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC[C@@H]1C ZINC001715127109 1419873823 /nfs/dbraw/zinc/87/38/23/1419873823.db2.gz IGBFHSJTPLJPSK-PXNSSMCTSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001733245100 1429390093 /nfs/dbraw/zinc/39/00/93/1429390093.db2.gz GXNXIZPHDQVRBS-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001715355015 1420055173 /nfs/dbraw/zinc/05/51/73/1420055173.db2.gz MYOGDEDNBYGTDJ-KXBFYZLASA-N 2 0 349.494 3.055 20 0 EGADRP C[N@H+](CCCC1CCC1)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001715497891 1420179458 /nfs/dbraw/zinc/17/94/58/1420179458.db2.gz IWJQWDRMJFUAJR-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001715540147 1420237962 /nfs/dbraw/zinc/23/79/62/1420237962.db2.gz RQGAUCTVKGEXAJ-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001715548325 1420245081 /nfs/dbraw/zinc/24/50/81/1420245081.db2.gz KXKCNYWPLCZEPR-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001715962463 1420428850 /nfs/dbraw/zinc/42/88/50/1420428850.db2.gz LGACKLZTFVPHHC-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716044322 1420507377 /nfs/dbraw/zinc/50/73/77/1420507377.db2.gz LCICULPPKPIZJK-DLBZAZTESA-N 2 0 333.520 3.162 20 0 EGADRP CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)cc1 ZINC001716496538 1420721480 /nfs/dbraw/zinc/72/14/80/1420721480.db2.gz XIERNZHWXJIPBQ-QGZVFWFLSA-N 2 0 347.547 3.163 20 0 EGADRP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001716549399 1420757271 /nfs/dbraw/zinc/75/72/71/1420757271.db2.gz VHUKLGJVRNJWDG-MOPGFXCFSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001716772057 1420915702 /nfs/dbraw/zinc/91/57/02/1420915702.db2.gz YRJNRKOCOMILJQ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001716784499 1420920475 /nfs/dbraw/zinc/92/04/75/1420920475.db2.gz XQPFSTFLRPJKSW-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001716788561 1420923223 /nfs/dbraw/zinc/92/32/23/1420923223.db2.gz MFBZFAAUXONCNN-RBUKOAKNSA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](CC(=O)NC[C@]1(C)CCC[NH+](CCCC2CCC2)C1)C1CCC1 ZINC001716895239 1421021624 /nfs/dbraw/zinc/02/16/24/1421021624.db2.gz GEVCAFMUGPYYOI-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CC(C)C)C1 ZINC001717216425 1421194605 /nfs/dbraw/zinc/19/46/05/1421194605.db2.gz IPHBQBBDFYGWQH-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001717217082 1421195567 /nfs/dbraw/zinc/19/55/67/1421195567.db2.gz OIYVKPWQVJSTOX-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001717338917 1421276513 /nfs/dbraw/zinc/27/65/13/1421276513.db2.gz FJEHZTGAHLANCT-QUCCMNQESA-N 2 0 343.515 3.032 20 0 EGADRP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001717460184 1421389537 /nfs/dbraw/zinc/38/95/37/1421389537.db2.gz DIPGGHHQGFLKPG-LJQANCHMSA-N 2 0 347.547 3.155 20 0 EGADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001717493245 1421431977 /nfs/dbraw/zinc/43/19/77/1421431977.db2.gz TYVKRFWQBNPMKG-IRXDYDNUSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001717561946 1421497676 /nfs/dbraw/zinc/49/76/76/1421497676.db2.gz VWGKTEFYKHVUBD-QGZVFWFLSA-N 2 0 345.531 3.088 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001717705495 1421580216 /nfs/dbraw/zinc/58/02/16/1421580216.db2.gz OLGCXSRFZXHPPX-MRXNPFEDSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCC(C)(C)C ZINC001717855157 1421667318 /nfs/dbraw/zinc/66/73/18/1421667318.db2.gz CTVMJBURFYHYMS-IRXDYDNUSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC2CCCCC2)C2CCCC2)CCC1 ZINC001733381848 1429567302 /nfs/dbraw/zinc/56/73/02/1429567302.db2.gz VIFXXXBMHVOLHO-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC[C@@H](C(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2F)CC1)[NH+](C)C ZINC001724021830 1424631627 /nfs/dbraw/zinc/63/16/27/1424631627.db2.gz FBYAUWGYHIHCHE-YJBOKZPZSA-N 2 0 349.494 3.198 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001724554866 1424910392 /nfs/dbraw/zinc/91/03/92/1424910392.db2.gz NVFQSQQUJGFAIA-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001724657292 1425024486 /nfs/dbraw/zinc/02/44/86/1425024486.db2.gz PECMZPLXHJYWGS-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1C ZINC001724850996 1425213740 /nfs/dbraw/zinc/21/37/40/1425213740.db2.gz JGANBBGGYCWJON-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001724979981 1425380911 /nfs/dbraw/zinc/38/09/11/1425380911.db2.gz RHPWHUQXCJBZPY-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCC1CCCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001725025697 1425445100 /nfs/dbraw/zinc/44/51/00/1425445100.db2.gz LGRABMAOIPJONA-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001725267413 1425902020 /nfs/dbraw/zinc/90/20/20/1425902020.db2.gz QVFGLCQJZKEKLV-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001731354966 1427295209 /nfs/dbraw/zinc/29/52/09/1427295209.db2.gz NWUHCDADKMCBRK-VQIMIIECSA-N 2 0 349.494 3.199 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001731385607 1427330430 /nfs/dbraw/zinc/33/04/30/1427330430.db2.gz MPOUDDQKFNORPH-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001731528166 1427517497 /nfs/dbraw/zinc/51/74/97/1427517497.db2.gz XTSYHPVHHINVBT-IBGZPJMESA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001731613993 1427660333 /nfs/dbraw/zinc/66/03/33/1427660333.db2.gz DNQFAXCCYXAZQS-IAGOWNOFSA-N 2 0 345.531 3.307 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001731619438 1427667867 /nfs/dbraw/zinc/66/78/67/1427667867.db2.gz WSYCSACCXMSVHA-GOSISDBHSA-N 2 0 347.547 3.184 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001731647463 1427704912 /nfs/dbraw/zinc/70/49/12/1427704912.db2.gz OZUNKCVVXRHEJO-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001731697291 1427747745 /nfs/dbraw/zinc/74/77/45/1427747745.db2.gz CUSWKXJEGLYCLE-OALUTQOASA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001731735045 1427815372 /nfs/dbraw/zinc/81/53/72/1427815372.db2.gz CARABNLZJCJXIJ-GOSISDBHSA-N 2 0 347.547 3.266 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001731976155 1428191857 /nfs/dbraw/zinc/19/18/57/1428191857.db2.gz AZABPTSXCFAGKE-KRWDZBQOSA-N 2 0 341.499 3.291 20 0 EGADRP CC1CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001733691806 1429908865 /nfs/dbraw/zinc/90/88/65/1429908865.db2.gz QCSKNEIMWQHQIN-ZQTWVHHBSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C\CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001733836544 1430109808 /nfs/dbraw/zinc/10/98/08/1430109808.db2.gz YSGWQODGFKYBBS-AQWUKCDYSA-N 2 0 343.515 3.315 20 0 EGADRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(C)ccc1C)[NH+](C)C ZINC001734022360 1437811038 /nfs/dbraw/zinc/81/10/38/1437811038.db2.gz IRYHKPYDOOTEJG-IBGZPJMESA-N 2 0 347.547 3.218 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734065888 1437860938 /nfs/dbraw/zinc/86/09/38/1437860938.db2.gz NISGXHAQJIETLW-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cc(C[NH2+]CC2(NC(=O)[C@H]3CCC[N@H+]3C)CCCCC2)cs1 ZINC001734091439 1437875562 /nfs/dbraw/zinc/87/55/62/1437875562.db2.gz ZIBUJNSLVKAXQY-QGZVFWFLSA-N 2 0 349.544 3.059 20 0 EGADRP Cc1cc(C[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)cs1 ZINC001734570921 1438165036 /nfs/dbraw/zinc/16/50/36/1438165036.db2.gz RKYGHCQTANQWGM-INIZCTEOSA-N 2 0 339.549 3.019 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001752038477 1440134558 /nfs/dbraw/zinc/13/45/58/1440134558.db2.gz GXGULLSNYXNGEN-SFHVURJKSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)CCC1CCCCC1 ZINC001752121679 1440142456 /nfs/dbraw/zinc/14/24/56/1440142456.db2.gz MOOSEUPFWLZBIQ-HDICACEKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001752146254 1440145965 /nfs/dbraw/zinc/14/59/65/1440145965.db2.gz ZIRAGPBKVMPQDC-IEBWSBKVSA-N 2 0 337.552 3.409 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccccc1 ZINC001752159014 1440148157 /nfs/dbraw/zinc/14/81/57/1440148157.db2.gz YIPQGEXTWNHFST-QUCCMNQESA-N 2 0 345.531 3.278 20 0 EGADRP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001752160138 1440148714 /nfs/dbraw/zinc/14/87/14/1440148714.db2.gz YKYPWSKESYIJSR-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1ccc(F)cc1 ZINC001752230247 1440158401 /nfs/dbraw/zinc/15/84/01/1440158401.db2.gz SMSUWQHIUUFJKS-IBGZPJMESA-N 2 0 349.494 3.028 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001752405584 1440174053 /nfs/dbraw/zinc/17/40/53/1440174053.db2.gz XZOAZWGGUMHISS-DPZZJQGRSA-N 2 0 347.547 3.045 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001752411459 1440174287 /nfs/dbraw/zinc/17/42/87/1440174287.db2.gz BTGSTUWQRWAEGJ-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001752423195 1440176283 /nfs/dbraw/zinc/17/62/83/1440176283.db2.gz GPFMNQPTQQJJOV-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001752608477 1440196215 /nfs/dbraw/zinc/19/62/15/1440196215.db2.gz RSPCHGGYELDAEO-FQEVSTJZSA-N 2 0 347.547 3.334 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001752683576 1440199837 /nfs/dbraw/zinc/19/98/37/1440199837.db2.gz ZEWBJGBVZXNPNT-GUDVDZBRSA-N 2 0 345.531 3.352 20 0 EGADRP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752804849 1440215533 /nfs/dbraw/zinc/21/55/33/1440215533.db2.gz UAQICZWVGNKOCM-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001752827364 1440224126 /nfs/dbraw/zinc/22/41/26/1440224126.db2.gz AIMAIMSPSVQPJE-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001752849892 1440233261 /nfs/dbraw/zinc/23/32/61/1440233261.db2.gz BIIRALDZTWXRRW-ACBHZAAOSA-N 2 0 349.563 3.172 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001752851004 1440233497 /nfs/dbraw/zinc/23/34/97/1440233497.db2.gz WGVAMNZZPMWPFV-MHJFOBGBSA-N 2 0 343.515 3.078 20 0 EGADRP CC(C)CC[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001752852891 1440234049 /nfs/dbraw/zinc/23/40/49/1440234049.db2.gz VKJZZQYNRYEWGO-UHFFFAOYSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC001752854665 1440234519 /nfs/dbraw/zinc/23/45/19/1440234519.db2.gz QQPUEFPQOIXACT-UHFFFAOYSA-N 2 0 345.531 3.162 20 0 EGADRP CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001752855053 1440234767 /nfs/dbraw/zinc/23/47/67/1440234767.db2.gz GUAXYTBZXHKDCN-ACBHZAAOSA-N 2 0 337.552 3.458 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001752910434 1440245217 /nfs/dbraw/zinc/24/52/17/1440245217.db2.gz SEXSJZFZUCYBQP-HOTGVXAUSA-N 2 0 349.494 3.101 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001752940535 1440250922 /nfs/dbraw/zinc/25/09/22/1440250922.db2.gz PYJALTMILYDCKO-QUCCMNQESA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001752955338 1440252612 /nfs/dbraw/zinc/25/26/12/1440252612.db2.gz GIZJHZLRCCLIMZ-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001752981979 1440257296 /nfs/dbraw/zinc/25/72/96/1440257296.db2.gz AZRVEGPJPNDUFZ-UXHICEINSA-N 2 0 349.563 3.460 20 0 EGADRP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001752996361 1440261998 /nfs/dbraw/zinc/26/19/98/1440261998.db2.gz LMWLFZRRIKYCAU-HXUWFJFHSA-N 2 0 345.531 3.127 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001752998047 1440263061 /nfs/dbraw/zinc/26/30/61/1440263061.db2.gz YDBRBDFZILNLSG-SJORKVTESA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H](CCNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1CCCC1 ZINC001753007246 1440266194 /nfs/dbraw/zinc/26/61/94/1440266194.db2.gz GQLDCZHYNKOZSX-CQSZACIVSA-N 2 0 337.533 3.098 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001753039910 1440276097 /nfs/dbraw/zinc/27/60/97/1440276097.db2.gz MQVSEXZQHWAHQK-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1ccccc1F ZINC001753091034 1440299048 /nfs/dbraw/zinc/29/90/48/1440299048.db2.gz GOOWISQCMZQKIT-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH+]2CCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001753118418 1440312520 /nfs/dbraw/zinc/31/25/20/1440312520.db2.gz HUOXKKIXWVOIOA-RTBURBONSA-N 2 0 345.531 3.285 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753139303 1440320400 /nfs/dbraw/zinc/32/04/00/1440320400.db2.gz YPDREBQYTZQAMN-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CC(C)C1 ZINC001753285623 1440348763 /nfs/dbraw/zinc/34/87/63/1440348763.db2.gz RVWZDIJQRCLIQO-CTWPCTMYSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)=CC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001753288474 1440349566 /nfs/dbraw/zinc/34/95/66/1440349566.db2.gz QYNKKLGJEXRSBR-UHFFFAOYSA-N 2 0 342.487 3.439 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC1CCC1 ZINC001753293037 1440351109 /nfs/dbraw/zinc/35/11/09/1440351109.db2.gz VNDBGQASMKFKJQ-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001753316076 1440359790 /nfs/dbraw/zinc/35/97/90/1440359790.db2.gz KWRXBJOJGAODBY-QUCCMNQESA-N 2 0 349.563 3.362 20 0 EGADRP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001753326693 1440367159 /nfs/dbraw/zinc/36/71/59/1440367159.db2.gz IJGSHYGKDJOYPI-VQIMIIECSA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](CC(=O)N1CC[C@@H](C[N@H+](C)CCC(C)(C)C)C1)CC(C)(C)C ZINC001753355390 1440379789 /nfs/dbraw/zinc/37/97/89/1440379789.db2.gz HOQQDSZAENUTLP-KRWDZBQOSA-N 2 0 339.568 3.181 20 0 EGADRP CC1(C)CCC(C[NH+]2CC(NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001753394001 1440389859 /nfs/dbraw/zinc/38/98/59/1440389859.db2.gz LCFBPTQXNAEBRR-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444544 1440402998 /nfs/dbraw/zinc/40/29/98/1440402998.db2.gz SWJBCAOAYKQYGM-HKUYNNGSSA-N 2 0 345.531 3.258 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001753447761 1440404735 /nfs/dbraw/zinc/40/47/35/1440404735.db2.gz FYNVPEGEARIFFI-LJQANCHMSA-N 2 0 345.531 3.185 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753450196 1440405630 /nfs/dbraw/zinc/40/56/30/1440405630.db2.gz ODXJSPVULNPISS-AZUAARDMSA-N 2 0 343.515 3.156 20 0 EGADRP Cc1c(C(=O)N[C@@]2(C[NH2+]C(C)C)CCCC[C@H]2C)ccc2c[nH+]cn21 ZINC001753534022 1440431924 /nfs/dbraw/zinc/43/19/24/1440431924.db2.gz OYGKOROWYKUFIS-FOIQADDNSA-N 2 0 342.487 3.319 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(CC[NH2+]CC3CCCCC3)CC2)C1 ZINC001753576726 1440439407 /nfs/dbraw/zinc/43/94/07/1440439407.db2.gz FRCWFLCBBDOGPA-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CCC2=CCCCC2)CC1 ZINC001753577406 1440439481 /nfs/dbraw/zinc/43/94/81/1440439481.db2.gz BXBBYXUKBMKFTQ-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001753587945 1440441868 /nfs/dbraw/zinc/44/18/68/1440441868.db2.gz TURNPDUYRWCDFN-ZULIPRJHSA-N 2 0 349.563 3.457 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1)c1ccc(F)cc1 ZINC001753695901 1440467487 /nfs/dbraw/zinc/46/74/87/1440467487.db2.gz AKDNEGOKUDZPAA-HNAYVOBHSA-N 2 0 349.494 3.198 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001753710836 1440470602 /nfs/dbraw/zinc/47/06/02/1440470602.db2.gz IUUOMMKALLOTDT-ZWKOTPCHSA-N 2 0 345.531 3.143 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001753726074 1440474406 /nfs/dbraw/zinc/47/44/06/1440474406.db2.gz MAHIJFDRVJSDQE-HKUYNNGSSA-N 2 0 335.536 3.186 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001753744697 1440480473 /nfs/dbraw/zinc/48/04/73/1440480473.db2.gz MOSVWMFNKTUPAA-UXHICEINSA-N 2 0 347.547 3.236 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCC2CCCC2)C1 ZINC001753788404 1440488550 /nfs/dbraw/zinc/48/85/50/1440488550.db2.gz NWXVYKLTZZFJTQ-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001753806855 1440491864 /nfs/dbraw/zinc/49/18/64/1440491864.db2.gz FTCJPQYKCGFALE-DNVCBOLYSA-N 2 0 342.487 3.273 20 0 EGADRP CCC(CC)C[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001753831932 1440499844 /nfs/dbraw/zinc/49/98/44/1440499844.db2.gz CZDCQNRTRWPJGU-GOSISDBHSA-N 2 0 337.552 3.029 20 0 EGADRP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001753852915 1440507663 /nfs/dbraw/zinc/50/76/63/1440507663.db2.gz DYQUFCWHHWTUBK-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001753869150 1440516463 /nfs/dbraw/zinc/51/64/63/1440516463.db2.gz IXMAOARXIHYUJP-IBGZPJMESA-N 2 0 345.531 3.404 20 0 EGADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC001754018133 1440532015 /nfs/dbraw/zinc/53/20/15/1440532015.db2.gz BFWCMRQHZZDYJW-DLBZAZTESA-N 2 0 349.494 3.103 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754045548 1440535134 /nfs/dbraw/zinc/53/51/34/1440535134.db2.gz SPZJFBWCRADLHF-MJGOQNOKSA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001754243212 1440556287 /nfs/dbraw/zinc/55/62/87/1440556287.db2.gz DBASWRAVAGLGAH-QGZVFWFLSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001754452636 1440601482 /nfs/dbraw/zinc/60/14/82/1440601482.db2.gz HAWCQOOUQKLIRC-OALUTQOASA-N 2 0 349.563 3.170 20 0 EGADRP CC[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001754468684 1440604923 /nfs/dbraw/zinc/60/49/23/1440604923.db2.gz VPTDIILNEWGJPQ-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754495907 1440612379 /nfs/dbraw/zinc/61/23/79/1440612379.db2.gz AVJBSURGQGNJGA-YLJYHZDGSA-N 2 0 345.531 3.403 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001754499777 1440613787 /nfs/dbraw/zinc/61/37/87/1440613787.db2.gz DPUUIGJMBQGSED-RTBURBONSA-N 2 0 345.531 3.287 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001754504058 1440615539 /nfs/dbraw/zinc/61/55/39/1440615539.db2.gz CMKNPGOLRJKJLA-CQQBRXBZSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)(C(=O)NCC1([NH2+]CCCC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001754514680 1440618287 /nfs/dbraw/zinc/61/82/87/1440618287.db2.gz GJSRNMNGWBIUCX-UHFFFAOYSA-N 2 0 349.563 3.460 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001754537675 1440624996 /nfs/dbraw/zinc/62/49/96/1440624996.db2.gz CHSODZVHLHRQTH-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001754541196 1440626285 /nfs/dbraw/zinc/62/62/85/1440626285.db2.gz WFXYETFTYXQMAA-IHWFROFDSA-N 2 0 347.547 3.186 20 0 EGADRP O=C(NCC[N@H+](CC1CCC1)C1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001754547983 1440628527 /nfs/dbraw/zinc/62/85/27/1440628527.db2.gz ZNVGPZGYVZDSKA-UHFFFAOYSA-N 2 0 347.547 3.023 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C[C@@H]1C ZINC001754600921 1440642449 /nfs/dbraw/zinc/64/24/49/1440642449.db2.gz JGDAQQAFBYIGDV-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754673525 1440659062 /nfs/dbraw/zinc/65/90/62/1440659062.db2.gz BUSVQWXAMWWOLI-APGBAIEXSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754677059 1440660486 /nfs/dbraw/zinc/66/04/86/1440660486.db2.gz YYLZCLDRVJXXDH-XLIONFOSSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCCC2CCC2)C1 ZINC001754681704 1440662720 /nfs/dbraw/zinc/66/27/20/1440662720.db2.gz DWBBFNGMPOQEJW-HXUWFJFHSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001754703175 1440668359 /nfs/dbraw/zinc/66/83/59/1440668359.db2.gz JVNGRAIKPGUBPC-PZJWPPBQSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001754718172 1440672218 /nfs/dbraw/zinc/67/22/18/1440672218.db2.gz SCCGDJZZVZJMGJ-SFHVURJKSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)C[NH+]1CCC(C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001754719970 1440672817 /nfs/dbraw/zinc/67/28/17/1440672817.db2.gz DRCWEOVQXMUMSS-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[NH+]1CCC(C)(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001754721021 1440673252 /nfs/dbraw/zinc/67/32/52/1440673252.db2.gz YXKZDJKIUDZIQV-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001754783572 1440686958 /nfs/dbraw/zinc/68/69/58/1440686958.db2.gz OKGAQYISQUZZBD-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754800401 1440690282 /nfs/dbraw/zinc/69/02/82/1440690282.db2.gz UERZUHIYUOJIRF-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001754831828 1440695853 /nfs/dbraw/zinc/69/58/53/1440695853.db2.gz QEBVXSKAQREJSO-GGPHIMKMSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001754838653 1440697320 /nfs/dbraw/zinc/69/73/20/1440697320.db2.gz MCLXYXFVXLSFBK-WOJBJXKFSA-N 2 0 343.515 3.030 20 0 EGADRP C[N@H+](CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1)C1CCCCC1 ZINC001754868761 1440704201 /nfs/dbraw/zinc/70/42/01/1440704201.db2.gz PUDAVQIXUXCEHB-WOJBJXKFSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001754947514 1440713869 /nfs/dbraw/zinc/71/38/69/1440713869.db2.gz NSKCGJUSEYEFCW-KRWDZBQOSA-N 2 0 345.531 3.484 20 0 EGADRP C[C@@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001754948831 1440714268 /nfs/dbraw/zinc/71/42/68/1440714268.db2.gz QCWMCBLAMIXQPS-IAGOWNOFSA-N 2 0 343.515 3.095 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001754951434 1440715122 /nfs/dbraw/zinc/71/51/22/1440715122.db2.gz SYZDPGQJCHWWQW-UZLBHIALSA-N 2 0 345.531 3.341 20 0 EGADRP CN(CCC[N@H+](C)CCC1=CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001755046190 1440741154 /nfs/dbraw/zinc/74/11/54/1440741154.db2.gz XTGLMGNJDABMJA-UHFFFAOYSA-N 2 0 349.563 3.389 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755130971 1440757162 /nfs/dbraw/zinc/75/71/62/1440757162.db2.gz YGUIYYAVCMEBQT-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142758 1440761490 /nfs/dbraw/zinc/76/14/90/1440761490.db2.gz FELDMLYQCAEVHM-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCC1 ZINC001755162449 1440765241 /nfs/dbraw/zinc/76/52/41/1440765241.db2.gz VFNHGHHIFGMZNB-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@H](C)C1 ZINC001755165144 1440766667 /nfs/dbraw/zinc/76/66/67/1440766667.db2.gz GCWNFDPLERAQQN-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001755176166 1440770849 /nfs/dbraw/zinc/77/08/49/1440770849.db2.gz VLLXSBQTLMFIKT-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001755204656 1440781790 /nfs/dbraw/zinc/78/17/90/1440781790.db2.gz MBZXZHFLKQPNNI-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001755213629 1440783730 /nfs/dbraw/zinc/78/37/30/1440783730.db2.gz NWZFWXQONKUSLH-LMDPOFIKSA-N 2 0 349.563 3.029 20 0 EGADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001755255070 1440792930 /nfs/dbraw/zinc/79/29/30/1440792930.db2.gz CPQPKKABLCTAGF-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001755262497 1440794999 /nfs/dbraw/zinc/79/49/99/1440794999.db2.gz KXVLYWHUBOQXSS-DLBZAZTESA-N 2 0 341.499 3.164 20 0 EGADRP CN(CC(C)(C)C[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001755277365 1440799475 /nfs/dbraw/zinc/79/94/75/1440799475.db2.gz JCJFPHGKWWGSOP-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001755300528 1440808287 /nfs/dbraw/zinc/80/82/87/1440808287.db2.gz RQAQDRHCLRYOOE-YLJYHZDGSA-N 2 0 345.531 3.058 20 0 EGADRP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC001755320114 1440817922 /nfs/dbraw/zinc/81/79/22/1440817922.db2.gz NTBJJAMMGVIRQA-SJORKVTESA-N 2 0 349.494 3.027 20 0 EGADRP CCc1ccccc1C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001755329171 1440823647 /nfs/dbraw/zinc/82/36/47/1440823647.db2.gz XMCWGBCNFRSVBH-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H](NC(=O)CCCC[NH+]1CCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001755392050 1440842287 /nfs/dbraw/zinc/84/22/87/1440842287.db2.gz NLGRNQSDKVNZOW-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001755460742 1440857383 /nfs/dbraw/zinc/85/73/83/1440857383.db2.gz MNQULZXJKUUXLK-QIAVYIFCSA-N 2 0 349.563 3.245 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001755472183 1440858992 /nfs/dbraw/zinc/85/89/92/1440858992.db2.gz ONKJWKIZBNVRNF-QWFCFKBJSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001755483706 1440860629 /nfs/dbraw/zinc/86/06/29/1440860629.db2.gz SPCMHEPIUXOELW-UFYCRDLUSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCCC1 ZINC001755498630 1440862393 /nfs/dbraw/zinc/86/23/93/1440862393.db2.gz MPFAZQBMFMDSCV-PKOBYXMFSA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC2CCCCCC2)CC1 ZINC001755535164 1440869052 /nfs/dbraw/zinc/86/90/52/1440869052.db2.gz DJRZUFBXDABRPU-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001755566914 1440875979 /nfs/dbraw/zinc/87/59/79/1440875979.db2.gz DFUGDLWGHHZHGI-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001755587613 1440880699 /nfs/dbraw/zinc/88/06/99/1440880699.db2.gz HQHPIHAGEWUVJD-XLIONFOSSA-N 2 0 345.531 3.058 20 0 EGADRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC(C)CC1 ZINC001755617788 1440889513 /nfs/dbraw/zinc/88/95/13/1440889513.db2.gz DZLRRKQCIDTISM-XBMUEBEBSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001755618348 1440889658 /nfs/dbraw/zinc/88/96/58/1440889658.db2.gz KFEMXFANDLRVRQ-QGZVFWFLSA-N 2 0 347.547 3.261 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@H]1C ZINC001755662457 1440892832 /nfs/dbraw/zinc/89/28/32/1440892832.db2.gz DQHLPVLBEZSCPE-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)cc1 ZINC001755667511 1440893661 /nfs/dbraw/zinc/89/36/61/1440893661.db2.gz VVGCZPJLNIDVLD-FXAWDEMLSA-N 2 0 345.531 3.229 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C)cs1 ZINC001755667739 1440893725 /nfs/dbraw/zinc/89/37/25/1440893725.db2.gz ZLLLGVXKZMLXLA-AEFFLSMTSA-N 2 0 349.544 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001755746344 1440912463 /nfs/dbraw/zinc/91/24/63/1440912463.db2.gz HDXBSFPYAVOCQQ-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001755766679 1440916376 /nfs/dbraw/zinc/91/63/76/1440916376.db2.gz OXMIETBKZJQSBZ-RBUKOAKNSA-N 2 0 349.563 3.290 20 0 EGADRP Cc1cccc(C[N@@H+](C)CCN(C(=O)C2(C[NH+](C)C)CC2)C(C)C)c1 ZINC001755812994 1440921536 /nfs/dbraw/zinc/92/15/36/1440921536.db2.gz WVDBMZHMRKTAQG-UHFFFAOYSA-N 2 0 345.531 3.006 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC001755825459 1440927001 /nfs/dbraw/zinc/92/70/01/1440927001.db2.gz SVICSAOLLCSXDT-SJORKVTESA-N 2 0 339.568 3.418 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001755827408 1440927773 /nfs/dbraw/zinc/92/77/73/1440927773.db2.gz LAQAMGYOBCRVBZ-MRXNPFEDSA-N 2 0 343.531 3.120 20 0 EGADRP CCCCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001755834816 1440929783 /nfs/dbraw/zinc/92/97/83/1440929783.db2.gz MANLPJPLJBESJK-SFHVURJKSA-N 2 0 339.568 3.418 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001755835529 1440930137 /nfs/dbraw/zinc/93/01/37/1440930137.db2.gz WRDPEIRRGYQEMA-GOSISDBHSA-N 2 0 333.520 3.282 20 0 EGADRP C[C@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)c1cccc(F)c1 ZINC001755837444 1440930793 /nfs/dbraw/zinc/93/07/93/1440930793.db2.gz QTXYUUVCSPUHCQ-MAUKXSAKSA-N 2 0 349.494 3.103 20 0 EGADRP Cc1[nH+]c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc2[nH]ccc21 ZINC001164727626 720425042 /nfs/dbraw/zinc/42/50/42/720425042.db2.gz DTHZDVMKXBQQKD-MOPGFXCFSA-N 2 0 333.439 3.120 20 0 EGADRP CCC[NH+]1CCC(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000368531599 168368598 /nfs/dbraw/zinc/36/85/98/168368598.db2.gz WBOGDAFZZORVLV-OAQYLSRUSA-N 3 0 329.532 3.363 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531042 168369193 /nfs/dbraw/zinc/36/91/93/168369193.db2.gz SDYKAFBJIQXQGT-JBACZVJFSA-N 2 0 329.532 3.219 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000132311786 529609558 /nfs/dbraw/zinc/60/95/58/529609558.db2.gz UVBYGYFDXWFFLH-PMACEKPBSA-N 2 0 333.520 3.008 20 0 EGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc2c(c1)CCO2 ZINC000154486172 529595858 /nfs/dbraw/zinc/59/58/58/529595858.db2.gz CJNCJIAQHARLJU-FQEVSTJZSA-N 2 0 345.531 3.080 20 0 EGADRP CN(c1ccccc1C[N@H+](C)Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000183749201 530011098 /nfs/dbraw/zinc/01/10/98/530011098.db2.gz YWQFLYUXMKBTDL-UHFFFAOYSA-N 2 0 338.499 3.244 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000178414881 232160461 /nfs/dbraw/zinc/16/04/61/232160461.db2.gz HXKVOIGIVONPIA-MRXNPFEDSA-N 2 0 329.513 3.346 20 0 EGADRP Cc1ncsc1C[NH+](C)C/C=C/C[N@@H+](C)Cc1scnc1C ZINC000066562659 215054262 /nfs/dbraw/zinc/05/42/62/215054262.db2.gz DYTVIBCYKIKQPX-AATRIKPKSA-N 2 0 336.530 3.336 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000179703845 233342116 /nfs/dbraw/zinc/34/21/16/233342116.db2.gz UTBBLAWKDMTJOH-IBGZPJMESA-N 2 0 345.487 3.066 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000069045887 215355745 /nfs/dbraw/zinc/35/57/45/215355745.db2.gz FBDZSRJYZCEBAJ-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CN1c2ccc(C[NH2+]CCCCCCC[NH+](C)C)cc2CCC1=O ZINC000187165065 236134843 /nfs/dbraw/zinc/13/48/43/236134843.db2.gz FVXNQIUMWVHMIZ-UHFFFAOYSA-N 2 0 331.504 3.197 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCS2 ZINC000187167888 236134884 /nfs/dbraw/zinc/13/48/84/236134884.db2.gz SDBQVYIQXOMVCM-AEFFLSMTSA-N 2 0 333.545 3.066 20 0 EGADRP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370004666 291286832 /nfs/dbraw/zinc/28/68/32/291286832.db2.gz FTOQXUOSVIOFQQ-GOSISDBHSA-N 2 0 330.472 3.017 20 0 EGADRP Cc1ncc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000677755800 549327317 /nfs/dbraw/zinc/32/73/17/549327317.db2.gz RQJXIMCYZAWPLV-CQSZACIVSA-N 2 0 333.501 3.285 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000341856684 241640418 /nfs/dbraw/zinc/64/04/18/241640418.db2.gz ZFRXDFULEFNEBX-LPHOPBHVSA-N 2 0 329.488 3.055 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH3+])cc1)c1ccsc1 ZINC000236887462 242396971 /nfs/dbraw/zinc/39/69/71/242396971.db2.gz LCIKEBMNKWYHMU-QGZVFWFLSA-N 2 0 331.485 3.020 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126777233 296144721 /nfs/dbraw/zinc/14/47/21/296144721.db2.gz SNYPQTHWWZTZSU-JKSUJKDBSA-N 2 0 349.494 3.043 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)N1CCC(n2c3ccccc3nc2CC)CC1 ZINC000262537450 245023933 /nfs/dbraw/zinc/02/39/33/245023933.db2.gz KCSVULNGHOXOHX-HXUWFJFHSA-N 2 0 342.487 3.280 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000265122765 247224891 /nfs/dbraw/zinc/22/48/91/247224891.db2.gz FYQQZLLYRXTHIY-QFIPXVFZSA-N 2 0 337.511 3.094 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000377613812 169048012 /nfs/dbraw/zinc/04/80/12/169048012.db2.gz FVXYVLXHJILYLR-WHLIDYPQSA-N 2 0 349.469 3.078 20 0 EGADRP C[C@@H](CC[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000377621560 169049728 /nfs/dbraw/zinc/04/97/28/169049728.db2.gz GFSDRKOMBBPPCQ-IBGZPJMESA-N 2 0 329.532 3.140 20 0 EGADRP Cc1cccc(CCC[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000378480728 169128186 /nfs/dbraw/zinc/12/81/86/169128186.db2.gz BHHLOXUIDMFJHC-OAQYLSRUSA-N 2 0 329.532 3.028 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739237 218055506 /nfs/dbraw/zinc/05/55/06/218055506.db2.gz DZINLOALWJNYNF-QWQRMKEZSA-N 2 0 331.435 3.342 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000267235146 250860675 /nfs/dbraw/zinc/86/06/75/250860675.db2.gz ALLOMWZTEOVJHO-UXHICEINSA-N 2 0 343.515 3.275 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000267401116 251024076 /nfs/dbraw/zinc/02/40/76/251024076.db2.gz ZPVDKTAPNYWCLZ-CRAIPNDOSA-N 2 0 349.544 3.122 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1)C(C)C ZINC000106363784 285097953 /nfs/dbraw/zinc/09/79/53/285097953.db2.gz QGZSFEQFZAKWKV-IBGZPJMESA-N 2 0 331.504 3.083 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)s1 ZINC000349035384 285250979 /nfs/dbraw/zinc/25/09/79/285250979.db2.gz INPWPQUQOVUSEZ-CQSZACIVSA-N 2 0 329.941 3.249 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000154458776 224255920 /nfs/dbraw/zinc/25/59/20/224255920.db2.gz HPOJOZASKABNPU-KDOFPFPSSA-N 2 0 334.485 3.073 20 0 EGADRP [NH3+][C@@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000119559374 221348401 /nfs/dbraw/zinc/34/84/01/221348401.db2.gz BDYOIBBAHCAPOY-FQEVSTJZSA-N 2 0 337.467 3.354 20 0 EGADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000178035662 533296423 /nfs/dbraw/zinc/29/64/23/533296423.db2.gz HZRCKXCTKAOASZ-JXXFODFXSA-N 2 0 332.488 3.162 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236906905 141001084 /nfs/dbraw/zinc/00/10/84/141001084.db2.gz JDRBFKQJHJCDBK-QZTJIDSGSA-N 2 0 345.531 3.170 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000338051528 141082489 /nfs/dbraw/zinc/08/24/89/141082489.db2.gz YAPIYTHLDRUKQL-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347935593 141220544 /nfs/dbraw/zinc/22/05/44/141220544.db2.gz PXQVSKZWGQLODS-AEFFLSMTSA-N 2 0 344.499 3.243 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCCOC1 ZINC000356826711 141349700 /nfs/dbraw/zinc/34/97/00/141349700.db2.gz BGUXMLTZEZUXJB-BMQTXXJKSA-N 2 0 346.515 3.201 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)cc1 ZINC000356832606 141350941 /nfs/dbraw/zinc/35/09/41/141350941.db2.gz ASBKAXLFPZRQOJ-SJORKVTESA-N 2 0 331.504 3.083 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000185431599 144112462 /nfs/dbraw/zinc/11/24/62/144112462.db2.gz DLSRHSAJHBXXOQ-SFHVURJKSA-N 2 0 343.515 3.277 20 0 EGADRP C[C@H]1CCCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000187922295 144166378 /nfs/dbraw/zinc/16/63/78/144166378.db2.gz QTSHEQUJCJZRTI-SFHVURJKSA-N 2 0 343.515 3.021 20 0 EGADRP CO[C@]1(C)CCC[NH+](CC(C)C[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000361434288 286160333 /nfs/dbraw/zinc/16/03/33/286160333.db2.gz MJAIBSZWLYMLKD-WOJBJXKFSA-N 2 0 340.552 3.405 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000154552084 152588339 /nfs/dbraw/zinc/58/83/39/152588339.db2.gz UCUJPLZFFGERBJ-OXQOHEQNSA-N 2 0 333.495 3.066 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000191538819 153205567 /nfs/dbraw/zinc/20/55/67/153205567.db2.gz XUODIBQCBOHOEP-UHFFFAOYSA-N 2 0 339.593 3.154 20 0 EGADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000192919624 153266024 /nfs/dbraw/zinc/26/60/24/153266024.db2.gz HIJZLNSYXPPCOU-IBGZPJMESA-N 2 0 340.467 3.316 20 0 EGADRP CC1CCN(C(=[NH2+])NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000341624499 155388897 /nfs/dbraw/zinc/38/88/97/155388897.db2.gz GHNLQXXWMUCHTH-LJQANCHMSA-N 2 0 328.504 3.297 20 0 EGADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(-c2cnn(C)c2)c1 ZINC000261943989 153754592 /nfs/dbraw/zinc/75/45/92/153754592.db2.gz NDRGTPKIIVNIAC-NRFANRHFSA-N 2 0 338.499 3.360 20 0 EGADRP CCN(C(=O)C[NH+]1CCC(CC[NH2+]C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000261997224 153762168 /nfs/dbraw/zinc/76/21/68/153762168.db2.gz OAUXHYRMACXNKD-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCCCCC1 ZINC000303519090 154047414 /nfs/dbraw/zinc/04/74/14/154047414.db2.gz DUDQYPKCJANNIF-ICSRJNTNSA-N 2 0 343.515 3.204 20 0 EGADRP O[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000311193314 154147034 /nfs/dbraw/zinc/14/70/34/154147034.db2.gz FHMWNJMNZPDFSR-BHDDXSALSA-N 2 0 336.479 3.174 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337390203 154328598 /nfs/dbraw/zinc/32/85/98/154328598.db2.gz NCNSPBCWIOUUNH-IAGOWNOFSA-N 2 0 334.504 3.265 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000337494461 154382302 /nfs/dbraw/zinc/38/23/02/154382302.db2.gz XREOUXGRFWCLIA-INIZCTEOSA-N 2 0 346.515 3.407 20 0 EGADRP COc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000339865136 155008832 /nfs/dbraw/zinc/00/88/32/155008832.db2.gz HPYZXRCRKIFHAM-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP CCc1nc(C)cc(N2CCN(Cc3cccc(Cl)c3)CC2)n1 ZINC000339975576 155057322 /nfs/dbraw/zinc/05/73/22/155057322.db2.gz MKLXESZMBDRKGG-UHFFFAOYSA-N 2 0 330.863 3.323 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC1 ZINC000346918261 156195840 /nfs/dbraw/zinc/19/58/40/156195840.db2.gz ARQWBKSHYHPLIE-UHFFFAOYSA-N 2 0 347.503 3.076 20 0 EGADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348906759 156283026 /nfs/dbraw/zinc/28/30/26/156283026.db2.gz VOQUXRGZNZNCFS-ICSRJNTNSA-N 2 0 349.563 3.127 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352624997 156387130 /nfs/dbraw/zinc/38/71/30/156387130.db2.gz ACLMCWCFWJJBGJ-DOADOZAASA-N 2 0 338.536 3.013 20 0 EGADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000368788805 157290537 /nfs/dbraw/zinc/29/05/37/157290537.db2.gz XTTMGSLAVHVYIS-UHFFFAOYSA-N 2 0 326.444 3.165 20 0 EGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccc(O)c3)CC2)C[C@H](C)O1 ZINC000093844394 162030589 /nfs/dbraw/zinc/03/05/89/162030589.db2.gz TVSSIYLAOHRBQL-CALCHBBNSA-N 2 0 332.488 3.104 20 0 EGADRP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000105480790 162056170 /nfs/dbraw/zinc/05/61/70/162056170.db2.gz VORFWQMLUCIKQK-JSGCOSHPSA-N 2 0 328.403 3.117 20 0 EGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000123360326 162255561 /nfs/dbraw/zinc/25/55/61/162255561.db2.gz CPIOFUOHFCOJJH-UHFFFAOYSA-N 2 0 343.515 3.182 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000125387297 162271042 /nfs/dbraw/zinc/27/10/42/162271042.db2.gz YNUINXMHGNZBSV-INIZCTEOSA-N 2 0 329.488 3.196 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000129328634 162353998 /nfs/dbraw/zinc/35/39/98/162353998.db2.gz URKFBBFFXIHSMH-BBRMVZONSA-N 2 0 330.394 3.195 20 0 EGADRP Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000131222213 162394525 /nfs/dbraw/zinc/39/45/25/162394525.db2.gz YORVKLREIIUYFO-PBHICJAKSA-N 2 0 333.863 3.062 20 0 EGADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248663327 163027582 /nfs/dbraw/zinc/02/75/82/163027582.db2.gz ZMRAMAQBTVIWEE-LJDSDSDDSA-N 2 0 342.483 3.113 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000338266354 163202424 /nfs/dbraw/zinc/20/24/24/163202424.db2.gz INEWALDOWIROBK-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000340601015 163618931 /nfs/dbraw/zinc/61/89/31/163618931.db2.gz QUDYDHFAOZIQKN-QGZVFWFLSA-N 2 0 331.504 3.376 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000343761881 164029269 /nfs/dbraw/zinc/02/92/69/164029269.db2.gz ILZUGPYBWZIAOK-XLIONFOSSA-N 2 0 327.516 3.428 20 0 EGADRP C[C@H](CCc1ccccc1F)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343921889 164066678 /nfs/dbraw/zinc/06/66/78/164066678.db2.gz FJKBKQQRYXJASQ-MRXNPFEDSA-N 2 0 345.462 3.272 20 0 EGADRP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000343988911 164078537 /nfs/dbraw/zinc/07/85/37/164078537.db2.gz OWXXKRHBAIXUQQ-CYBMUJFWSA-N 2 0 348.516 3.336 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344144762 164114296 /nfs/dbraw/zinc/11/42/96/164114296.db2.gz VYJWVZYWPIUMIG-HXUWFJFHSA-N 2 0 333.495 3.210 20 0 EGADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cc2ccccc2o1 ZINC000344160708 164116591 /nfs/dbraw/zinc/11/65/91/164116591.db2.gz GBXPCDKTONPUAY-UHFFFAOYSA-N 2 0 329.488 3.282 20 0 EGADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354816482 166039893 /nfs/dbraw/zinc/03/98/93/166039893.db2.gz UZBUXBVXVNKEOM-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000345763018 164260985 /nfs/dbraw/zinc/26/09/85/164260985.db2.gz ALNRSAAYEVAXPU-KRWDZBQOSA-N 2 0 339.483 3.442 20 0 EGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000346551108 164395315 /nfs/dbraw/zinc/39/53/15/164395315.db2.gz GWEZKPZRHREMGE-WIYYLYMNSA-N 2 0 346.515 3.215 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000349246905 164846282 /nfs/dbraw/zinc/84/62/82/164846282.db2.gz YLAPVXMUHCTHJF-YQVWRLOYSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350142171 165010454 /nfs/dbraw/zinc/01/04/54/165010454.db2.gz GVNHQFXFIBHRFN-UHFFFAOYSA-N 2 0 340.515 3.322 20 0 EGADRP CSC1(C[NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000353230776 165685643 /nfs/dbraw/zinc/68/56/43/165685643.db2.gz STACLHZPJRXCAR-HKUYNNGSSA-N 2 0 347.572 3.066 20 0 EGADRP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355597747 166255879 /nfs/dbraw/zinc/25/58/79/166255879.db2.gz NYLGWPOLXYVXKX-FQEVSTJZSA-N 2 0 345.531 3.231 20 0 EGADRP CCOCc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000357055441 166573841 /nfs/dbraw/zinc/57/38/41/166573841.db2.gz RKMZXBQIOSMWOH-SFHVURJKSA-N 2 0 332.488 3.053 20 0 EGADRP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201347 167094765 /nfs/dbraw/zinc/09/47/65/167094765.db2.gz ZZBSLBPOLHRPJS-QFIPXVFZSA-N 3 0 341.543 3.364 20 0 EGADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000359228182 167101346 /nfs/dbraw/zinc/10/13/46/167101346.db2.gz HCPULVPBIDMBKB-OXQOHEQNSA-N 2 0 339.483 3.061 20 0 EGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360233032 167277625 /nfs/dbraw/zinc/27/76/25/167277625.db2.gz DTPRTGCIUZEIRA-JKSUJKDBSA-N 2 0 342.936 3.257 20 0 EGADRP CC1CCC([NH+]2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)CC1 ZINC000362832437 167847765 /nfs/dbraw/zinc/84/77/65/167847765.db2.gz ZBRFOXHDOCQUON-UHFFFAOYSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366951542 168160482 /nfs/dbraw/zinc/16/04/82/168160482.db2.gz JNZPJKHKHDZGCK-ICSRJNTNSA-N 2 0 326.488 3.164 20 0 EGADRP CCN(C(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000367201696 168192117 /nfs/dbraw/zinc/19/21/17/168192117.db2.gz UVBWXUUEMNYAPT-GOSISDBHSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@H](O)c1ncc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000368029315 168299355 /nfs/dbraw/zinc/29/93/55/168299355.db2.gz IZVLENZATDDFKE-FHERZECASA-N 2 0 337.533 3.329 20 0 EGADRP Cc1cc(Cl)cc(C)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000368037651 168301433 /nfs/dbraw/zinc/30/14/33/168301433.db2.gz AKYXJGOROHSXIF-UHFFFAOYSA-N 2 0 349.950 3.416 20 0 EGADRP CCOC(=O)N1CCC([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000124058227 222371574 /nfs/dbraw/zinc/37/15/74/222371574.db2.gz ZQUCGNKNJCYZCX-UHFFFAOYSA-N 2 0 347.503 3.239 20 0 EGADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000180179336 265397156 /nfs/dbraw/zinc/39/71/56/265397156.db2.gz LODQXZZRJBYSAF-KHSAKVFQSA-N 2 0 341.543 3.215 20 0 EGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](COC)C2CCOCC2)c1 ZINC000187792716 265626224 /nfs/dbraw/zinc/62/62/24/265626224.db2.gz LVICKDFPCOAFDR-HXUWFJFHSA-N 2 0 334.504 3.060 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189270753 265749307 /nfs/dbraw/zinc/74/93/07/265749307.db2.gz KTMLAMHHBWECMZ-VQTJNVASSA-N 2 0 329.532 3.013 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000193277640 266020292 /nfs/dbraw/zinc/02/02/92/266020292.db2.gz DJUKNPPZUFIKOL-PKOBYXMFSA-N 2 0 326.440 3.013 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000236907736 266218701 /nfs/dbraw/zinc/21/87/01/266218701.db2.gz RFPBHWZSRFWQAD-WOJBJXKFSA-N 2 0 345.531 3.442 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(N2CCOCC2)c1 ZINC000274238750 267203923 /nfs/dbraw/zinc/20/39/23/267203923.db2.gz QMKOXAJKMMHAIS-GOSISDBHSA-N 2 0 345.531 3.296 20 0 EGADRP C[C@@H]([NH2+]CCc1cn2ccccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274950313 267310530 /nfs/dbraw/zinc/31/05/30/267310530.db2.gz UZVBCWPXAFYZSD-UYAOXDASSA-N 2 0 348.494 3.377 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274948798 267310547 /nfs/dbraw/zinc/31/05/47/267310547.db2.gz UUSJSNXWZXZZKN-URZNZNTCSA-N 2 0 328.500 3.444 20 0 EGADRP Cc1ccncc1CCC[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000275243095 267334713 /nfs/dbraw/zinc/33/47/13/267334713.db2.gz NSOKWCUGUAVTIN-GOSISDBHSA-N 2 0 341.430 3.247 20 0 EGADRP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CCS2 ZINC000275357232 267350388 /nfs/dbraw/zinc/35/03/88/267350388.db2.gz RYRHCQXNGGTNMP-MJGOQNOKSA-N 2 0 347.572 3.456 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000275386819 267353568 /nfs/dbraw/zinc/35/35/68/267353568.db2.gz YDKLLKQTDAVPCZ-PWRODBHTSA-N 2 0 330.516 3.221 20 0 EGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278488229 268024150 /nfs/dbraw/zinc/02/41/50/268024150.db2.gz PHOUBWWVBPVYNV-MRXNPFEDSA-N 2 0 343.515 3.430 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3nccn32)CCN1C(=O)OC(C)(C)C ZINC000278527090 268032234 /nfs/dbraw/zinc/03/22/34/268032234.db2.gz UFEQYOGZINHAEI-LSDHHAIUSA-N 2 0 344.459 3.212 20 0 EGADRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1OC(F)F ZINC000278555387 268038765 /nfs/dbraw/zinc/03/87/65/268038765.db2.gz ZXOMUHCWEIGQCJ-UHFFFAOYSA-N 2 0 340.414 3.261 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172129446 275196855 /nfs/dbraw/zinc/19/68/55/275196855.db2.gz KFAMJEORQFUSGG-SFHVURJKSA-N 2 0 332.492 3.134 20 0 EGADRP C[C@@]([NH3+])(C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000192522519 275224251 /nfs/dbraw/zinc/22/42/51/275224251.db2.gz AEKJOHMVOXGQSO-NRFANRHFSA-N 2 0 337.467 3.138 20 0 EGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000286842735 276049204 /nfs/dbraw/zinc/04/92/04/276049204.db2.gz FEQDTMJLKUTRAK-CQSZACIVSA-N 2 0 327.476 3.227 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000286871822 276052369 /nfs/dbraw/zinc/05/23/69/276052369.db2.gz BVWFPIMIFINUIA-VLCRHTCISA-N 2 0 338.495 3.233 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287318966 276107681 /nfs/dbraw/zinc/10/76/81/276107681.db2.gz DHBDAMRPRGZFBX-CVEARBPZSA-N 2 0 330.394 3.338 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000288890625 276264151 /nfs/dbraw/zinc/26/41/51/276264151.db2.gz RIEQABMELYMHSL-INIZCTEOSA-N 2 0 334.508 3.033 20 0 EGADRP Cc1ccncc1CCC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289061033 276285749 /nfs/dbraw/zinc/28/57/49/276285749.db2.gz BYTBXFIHDZIRMY-NRFANRHFSA-N 2 0 337.511 3.477 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289124350 276294114 /nfs/dbraw/zinc/29/41/14/276294114.db2.gz DPOVIBFFGZVRKW-FQEVSTJZSA-N 2 0 340.515 3.163 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000358941132 276335097 /nfs/dbraw/zinc/33/50/97/276335097.db2.gz XZSPHEAMJBHXMZ-IBGZPJMESA-N 2 0 326.488 3.429 20 0 EGADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000289820195 276400498 /nfs/dbraw/zinc/40/04/98/276400498.db2.gz ADZPLMHQEZITKK-MRXNPFEDSA-N 2 0 345.462 3.272 20 0 EGADRP COCCOCc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000290106473 276447586 /nfs/dbraw/zinc/44/75/86/276447586.db2.gz SKLJIDJJIKFLMN-UHFFFAOYSA-N 2 0 348.531 3.403 20 0 EGADRP CC(C)O[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000292205906 276749399 /nfs/dbraw/zinc/74/93/99/276749399.db2.gz PDVQGJGQOUQQPD-OAQYLSRUSA-N 2 0 346.515 3.197 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000126675873 278052206 /nfs/dbraw/zinc/05/22/06/278052206.db2.gz HZIFYPGEBVHOQS-XLIONFOSSA-N 2 0 345.531 3.249 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000186928245 278803268 /nfs/dbraw/zinc/80/32/68/278803268.db2.gz MHXXFMHVXAQITF-IRXDYDNUSA-N 2 0 331.504 3.020 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000236655105 279384431 /nfs/dbraw/zinc/38/44/31/279384431.db2.gz BWRHKZVCYLWRIJ-KRWDZBQOSA-N 2 0 345.531 3.169 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000344157940 279898529 /nfs/dbraw/zinc/89/85/29/279898529.db2.gz BWPDTFPQJFSRTO-KZNAEPCWSA-N 2 0 326.525 3.061 20 0 EGADRP CO[C@@]1(C)CCC[NH+](CC(C)C[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361434287 294131179 /nfs/dbraw/zinc/13/11/79/294131179.db2.gz MJAIBSZWLYMLKD-PMACEKPBSA-N 2 0 340.552 3.405 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000246853255 295207390 /nfs/dbraw/zinc/20/73/90/295207390.db2.gz BONBVDDFVZDSHT-OWCLPIDISA-N 2 0 338.467 3.374 20 0 EGADRP CSC1(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)CC[NH+](C)CC1 ZINC000353632111 295583249 /nfs/dbraw/zinc/58/32/49/295583249.db2.gz RLMCCJIJLVMUER-INIZCTEOSA-N 2 0 325.497 3.335 20 0 EGADRP C[C@@H](CCn1cccn1)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000158979800 533695555 /nfs/dbraw/zinc/69/55/55/533695555.db2.gz YWYSMRVECLKFGF-QRVBRYPASA-N 2 0 340.515 3.408 20 0 EGADRP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056523447 307343707 /nfs/dbraw/zinc/34/37/07/307343707.db2.gz BPZGMGSWNKPQTN-KRWDZBQOSA-N 2 0 331.504 3.294 20 0 EGADRP CC(C)[NH+](CCCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000072518287 307379630 /nfs/dbraw/zinc/37/96/30/307379630.db2.gz CRJISBIFONTJER-SFHVURJKSA-N 2 0 340.556 3.011 20 0 EGADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)[NH+]1CCCCC1 ZINC000413944240 309053475 /nfs/dbraw/zinc/05/34/75/309053475.db2.gz ZDZQFEFIEJQCMF-SFHVURJKSA-N 2 0 335.467 3.336 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122575525 307530855 /nfs/dbraw/zinc/53/08/55/307530855.db2.gz VSSXNISWKPLDQV-ICSRJNTNSA-N 2 0 346.515 3.335 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C)c1 ZINC000414092621 309060592 /nfs/dbraw/zinc/06/05/92/309060592.db2.gz FFULHQRCCVYHQS-MRXNPFEDSA-N 2 0 343.471 3.190 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414128024 309062539 /nfs/dbraw/zinc/06/25/39/309062539.db2.gz SSKZVVXBNGXBPI-WMZOPIPTSA-N 2 0 336.907 3.413 20 0 EGADRP c1cc(-c2ccccc2)oc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134054348 307680974 /nfs/dbraw/zinc/68/09/74/307680974.db2.gz LSFFTWHDDZQOJD-UHFFFAOYSA-N 2 0 340.467 3.491 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000154309464 307792043 /nfs/dbraw/zinc/79/20/43/307792043.db2.gz IMPBBGLOQAKUNI-OAQYLSRUSA-N 2 0 331.548 3.261 20 0 EGADRP CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000414229953 309067817 /nfs/dbraw/zinc/06/78/17/309067817.db2.gz FWJLTHGNYFGMNK-YRNRMSPPSA-N 2 0 334.504 3.481 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248386014 308001808 /nfs/dbraw/zinc/00/18/08/308001808.db2.gz KUUHJGDENSIKBI-IXDOHACOSA-N 2 0 339.524 3.238 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248674589 308009018 /nfs/dbraw/zinc/00/90/18/308009018.db2.gz WZPJIBSVSJEUPQ-FCEWJHQRSA-N 2 0 339.524 3.096 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000249391541 308023256 /nfs/dbraw/zinc/02/32/56/308023256.db2.gz ACDUKMCFUIIPOU-KXBFYZLASA-N 2 0 340.458 3.234 20 0 EGADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000414466089 309082025 /nfs/dbraw/zinc/08/20/25/309082025.db2.gz YYLDPHFWFJTQNU-UHFFFAOYSA-N 2 0 330.451 3.284 20 0 EGADRP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293755434 308158902 /nfs/dbraw/zinc/15/89/02/308158902.db2.gz QSADBAQOOGGQFX-PVAVHDDUSA-N 2 0 328.435 3.289 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)[C@H](C)C1 ZINC000293858149 308168217 /nfs/dbraw/zinc/16/82/17/308168217.db2.gz YUPMKKWNPGVJOY-HIFRSBDPSA-N 2 0 340.895 3.220 20 0 EGADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000294993007 308279630 /nfs/dbraw/zinc/27/96/30/308279630.db2.gz QOZGVPRDASIPGH-TYPHKJRUSA-N 2 0 328.500 3.193 20 0 EGADRP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000295008369 308280923 /nfs/dbraw/zinc/28/09/23/308280923.db2.gz JDUFKDPPFVBOIQ-YMQHIKHWSA-N 2 0 328.500 3.038 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000295099741 308291413 /nfs/dbraw/zinc/29/14/13/308291413.db2.gz USQPDILDJDUQNE-OOKSDGMUSA-N 2 0 329.488 3.235 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000295325691 308314772 /nfs/dbraw/zinc/31/47/72/308314772.db2.gz XEZRDFCAPVFXLW-IBGZPJMESA-N 2 0 325.456 3.428 20 0 EGADRP CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000295860486 308368420 /nfs/dbraw/zinc/36/84/20/308368420.db2.gz FLHGPRQNCVORFT-HZPDHXFCSA-N 2 0 330.476 3.255 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cs1 ZINC000295949971 308377954 /nfs/dbraw/zinc/37/79/54/308377954.db2.gz LIBPHDACPYOQBZ-HNNXBMFYSA-N 2 0 330.501 3.054 20 0 EGADRP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccccc1 ZINC000414664384 309094339 /nfs/dbraw/zinc/09/43/39/309094339.db2.gz SSOJTYZOQPSFIJ-VQIMIIECSA-N 2 0 340.467 3.443 20 0 EGADRP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OCC(F)(F)F ZINC000414666809 309094581 /nfs/dbraw/zinc/09/45/81/309094581.db2.gz XQBHZIHKUMBDKY-AWEZNQCLSA-N 2 0 348.409 3.442 20 0 EGADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000414732501 309097911 /nfs/dbraw/zinc/09/79/11/309097911.db2.gz AIQFMPAWDQGNBO-CKEIUWERSA-N 2 0 340.414 3.049 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414743508 309098447 /nfs/dbraw/zinc/09/84/47/309098447.db2.gz HGMHKQYQYZDKDC-DOTOQJQBSA-N 2 0 326.488 3.370 20 0 EGADRP COc1ccccc1COC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414742451 309098469 /nfs/dbraw/zinc/09/84/69/309098469.db2.gz GGZKAPUCHOWXQK-IRXDYDNUSA-N 2 0 332.488 3.064 20 0 EGADRP COc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1 ZINC000297347992 308524925 /nfs/dbraw/zinc/52/49/25/308524925.db2.gz DZJOLJZCQLXDGU-UHFFFAOYSA-N 2 0 348.450 3.397 20 0 EGADRP C[C@@H]1C[C@H](C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414757596 309099111 /nfs/dbraw/zinc/09/91/11/309099111.db2.gz SUYIVOBMJWXALV-NVXWUHKLSA-N 2 0 346.906 3.464 20 0 EGADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414766158 309099468 /nfs/dbraw/zinc/09/94/68/309099468.db2.gz DCXZSUFIWVTFPQ-AEFFLSMTSA-N 2 0 338.879 3.067 20 0 EGADRP Fc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776694 309100235 /nfs/dbraw/zinc/10/02/35/309100235.db2.gz HLFXLZKIESYOEK-CHWSQXEVSA-N 2 0 341.268 3.410 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000414777345 309100253 /nfs/dbraw/zinc/10/02/53/309100253.db2.gz ICTKYHNMWOHINL-MSOLQXFVSA-N 2 0 330.520 3.289 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000414783371 309100728 /nfs/dbraw/zinc/10/07/28/309100728.db2.gz ZAZMCXZYCIGBGS-UXHICEINSA-N 2 0 332.488 3.064 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414791960 309101614 /nfs/dbraw/zinc/10/16/14/309101614.db2.gz BQIBFMZPGAZNNS-QFBILLFUSA-N 2 0 335.923 3.412 20 0 EGADRP COc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414808688 309102770 /nfs/dbraw/zinc/10/27/70/309102770.db2.gz SONQKQZSQHDBDC-BXUZGUMPSA-N 2 0 327.266 3.065 20 0 EGADRP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OCc1cccs1 ZINC000414829940 309104320 /nfs/dbraw/zinc/10/43/20/309104320.db2.gz LJWRTQMYMUIYHR-HNNXBMFYSA-N 2 0 346.496 3.425 20 0 EGADRP c1ccc(OCc2cccnc2)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414833160 309104471 /nfs/dbraw/zinc/10/44/71/309104471.db2.gz GGNMQRYNYRKJRJ-KRWDZBQOSA-N 2 0 325.456 3.140 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000423489798 309402728 /nfs/dbraw/zinc/40/27/28/309402728.db2.gz GXCSZTBEFCODPH-ISTVAULSSA-N 2 0 327.241 3.293 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000414837133 309104683 /nfs/dbraw/zinc/10/46/83/309104683.db2.gz KBEGWMWEGNXVOR-AWEZNQCLSA-N 2 0 334.485 3.281 20 0 EGADRP Fc1ccc(COc2cccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000414836542 309104721 /nfs/dbraw/zinc/10/47/21/309104721.db2.gz SVWJGNLXXKQKPE-INIZCTEOSA-N 2 0 328.431 3.494 20 0 EGADRP CCCc1cc(N2CC[NH+](CC(C)(C)O)CC2)c2ccccc2[nH+]1 ZINC000301792811 308715483 /nfs/dbraw/zinc/71/54/83/308715483.db2.gz OJJQRDOHOUXVGH-UHFFFAOYSA-N 2 0 327.472 3.080 20 0 EGADRP CCC(C)(C)C1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333194615 308852629 /nfs/dbraw/zinc/85/26/29/308852629.db2.gz VXKNIKNJSQQFTJ-ZZVGESKWSA-N 2 0 349.563 3.218 20 0 EGADRP Cc1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333628651 308864334 /nfs/dbraw/zinc/86/43/34/308864334.db2.gz GFNVJQJVMSMHJE-PXNSSMCTSA-N 2 0 325.456 3.266 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCCC2 ZINC000344098347 308882017 /nfs/dbraw/zinc/88/20/17/308882017.db2.gz JQXWQLTWWCKPKI-VQTJNVASSA-N 2 0 346.515 3.454 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414856621 309105982 /nfs/dbraw/zinc/10/59/82/309105982.db2.gz OQCCXPDQLWZSNQ-VQIMIIECSA-N 2 0 325.456 3.138 20 0 EGADRP C[NH2+]Cc1ccccc1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414859629 309106001 /nfs/dbraw/zinc/10/60/01/309106001.db2.gz BHKDQFMTEIXPHY-UHFFFAOYSA-N 2 0 330.501 3.241 20 0 EGADRP Clc1ccccc1-c1ccc(C[NH2+]CCN2CC[NH2+]CC2)s1 ZINC000414871836 309106628 /nfs/dbraw/zinc/10/66/28/309106628.db2.gz VQDBHOZTKAHZLN-UHFFFAOYSA-N 2 0 335.904 3.063 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H](C)C[NH3+])cc2)c1 ZINC000414885767 309107345 /nfs/dbraw/zinc/10/73/45/309107345.db2.gz XJTNWLGKLDKOKN-AWEZNQCLSA-N 2 0 330.428 3.181 20 0 EGADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414898687 309108159 /nfs/dbraw/zinc/10/81/59/309108159.db2.gz TUIBXYICZCZXKZ-ZDUSSCGKSA-N 2 0 331.847 3.419 20 0 EGADRP COc1cccc(C[C@@H](C)[NH2+][C@@H](CN)c2ccc3ccccc3c2)n1 ZINC000414934615 309109972 /nfs/dbraw/zinc/10/99/72/309109972.db2.gz FIASVAHCSLPNSP-QRWLVFNGSA-N 2 0 335.451 3.464 20 0 EGADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000414949593 309110982 /nfs/dbraw/zinc/11/09/82/309110982.db2.gz NUWDYPMSHJIGDO-XHDPSFHLSA-N 2 0 338.377 3.326 20 0 EGADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414972593 309112321 /nfs/dbraw/zinc/11/23/21/309112321.db2.gz MJNQPPOALCNFFZ-CQSZACIVSA-N 2 0 345.468 3.161 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414973855 309112396 /nfs/dbraw/zinc/11/23/96/309112396.db2.gz MZALBGAMDNJCDK-CQSZACIVSA-N 2 0 327.266 3.080 20 0 EGADRP COCC1(C[NH2+]C2CCC(C)(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000414978880 309112643 /nfs/dbraw/zinc/11/26/43/309112643.db2.gz UDQGBMZBCIJBEF-UHFFFAOYSA-N 2 0 330.516 3.493 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000414999599 309113519 /nfs/dbraw/zinc/11/35/19/309113519.db2.gz JKBXRSRQWFAGBT-WCQYABFASA-N 2 0 334.357 3.374 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000415023179 309114978 /nfs/dbraw/zinc/11/49/78/309114978.db2.gz MJQMVDMWKYHACE-CZUORRHYSA-N 2 0 326.868 3.115 20 0 EGADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000415045908 309116372 /nfs/dbraw/zinc/11/63/72/309116372.db2.gz UPZCDAHNIXEUSY-GXSJLCMTSA-N 2 0 349.219 3.268 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000415050329 309116536 /nfs/dbraw/zinc/11/65/36/309116536.db2.gz YMQDXMOJUXSZHK-APWZRJJASA-N 2 0 338.499 3.442 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000415077117 309118659 /nfs/dbraw/zinc/11/86/59/309118659.db2.gz DVKHJFCAZPAPJE-LLVKDONJSA-N 2 0 329.257 3.108 20 0 EGADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415090220 309119552 /nfs/dbraw/zinc/11/95/52/309119552.db2.gz XRFHPJHVKBHGFQ-VAMGGRTRSA-N 2 0 342.531 3.472 20 0 EGADRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[NH2+]1 ZINC000415090774 309119707 /nfs/dbraw/zinc/11/97/07/309119707.db2.gz ZNSIVDOFDNKVKT-GOEBONIOSA-N 2 0 329.419 3.491 20 0 EGADRP COc1cccc(Cl)c1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415118911 309121608 /nfs/dbraw/zinc/12/16/08/309121608.db2.gz DRSZIIQRJXWLPQ-RDTXWAMCSA-N 2 0 338.879 3.067 20 0 EGADRP CC1(C)Cc2cc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2O1 ZINC000415123123 309121835 /nfs/dbraw/zinc/12/18/35/309121835.db2.gz LBYNVKIXHCUANG-AZUAARDMSA-N 2 0 344.499 3.118 20 0 EGADRP CC1(C)Cc2cc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)ccc2O1 ZINC000415123126 309121918 /nfs/dbraw/zinc/12/19/18/309121918.db2.gz LBYNVKIXHCUANG-UYAOXDASSA-N 2 0 344.499 3.118 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCSCc3ccccc3)CC2)C1 ZINC000415124782 309122091 /nfs/dbraw/zinc/12/20/91/309122091.db2.gz NHRQWPWLVUBIMG-OALUTQOASA-N 2 0 334.529 3.138 20 0 EGADRP C[C@@H]1CCC[C@@H](C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415126780 309122146 /nfs/dbraw/zinc/12/21/46/309122146.db2.gz GVEYKEAQXNRGPJ-UYAOXDASSA-N 2 0 329.532 3.396 20 0 EGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C1 ZINC000415128594 309122333 /nfs/dbraw/zinc/12/23/33/309122333.db2.gz SLZQJUHTYBEFCO-DOTOQJQBSA-N 2 0 326.843 3.197 20 0 EGADRP Cc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000415127553 309122445 /nfs/dbraw/zinc/12/24/45/309122445.db2.gz IOSACOBZLZGXFA-UHFFFAOYSA-N 2 0 341.474 3.217 20 0 EGADRP C[NH2+]CCC[N@H+](C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000415127019 309122456 /nfs/dbraw/zinc/12/24/56/309122456.db2.gz HQEYOZJOINWMKU-UHFFFAOYSA-N 2 0 328.456 3.412 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132446 309122672 /nfs/dbraw/zinc/12/26/72/309122672.db2.gz LJDHUNSDIVDXHZ-UHFFFAOYSA-N 2 0 337.511 3.387 20 0 EGADRP C[C@@H]1CCC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000415136249 309123137 /nfs/dbraw/zinc/12/31/37/309123137.db2.gz QZVRUWYXIBMQIV-GGPKGHCWSA-N 2 0 329.532 3.394 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415136707 309123162 /nfs/dbraw/zinc/12/31/62/309123162.db2.gz XPFQDRYQBMMETK-IAGOWNOFSA-N 2 0 342.405 3.424 20 0 EGADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415783425 309143759 /nfs/dbraw/zinc/14/37/59/309143759.db2.gz GAZUYJQZCGBOMS-QZTJIDSGSA-N 2 0 332.492 3.073 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970695 309152015 /nfs/dbraw/zinc/15/20/15/309152015.db2.gz FSPYYNVSRUNGQD-HZPDHXFCSA-N 2 0 332.492 3.025 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000415972574 309152253 /nfs/dbraw/zinc/15/22/53/309152253.db2.gz NBJGLSIJRMCNIK-HZPDHXFCSA-N 2 0 346.519 3.284 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(C[NH3+])cc3)C2)CC1 ZINC000415978940 309152589 /nfs/dbraw/zinc/15/25/89/309152589.db2.gz QBFKCVYJAVQDMB-SFHVURJKSA-N 2 0 344.503 3.121 20 0 EGADRP C[NH+](C)CCc1ccccc1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416215881 309164192 /nfs/dbraw/zinc/16/41/92/309164192.db2.gz PHWVJYLYOIPYHO-HXUWFJFHSA-N 2 0 339.483 3.422 20 0 EGADRP C[C@H](CCCC[NH3+])NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000417693060 309218254 /nfs/dbraw/zinc/21/82/54/309218254.db2.gz PUUNRWUIQDZKFI-IAGOWNOFSA-N 2 0 346.519 3.029 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417870946 309226131 /nfs/dbraw/zinc/22/61/31/309226131.db2.gz MFPLUCCSUFITTO-QZTJIDSGSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H](CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000418011500 309231655 /nfs/dbraw/zinc/23/16/55/309231655.db2.gz WXCUFRLYOJNDRN-MJGOQNOKSA-N 2 0 346.519 3.030 20 0 EGADRP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000419137815 309260738 /nfs/dbraw/zinc/26/07/38/309260738.db2.gz PVLYDADSVRUPDE-SFHVURJKSA-N 2 0 345.531 3.315 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000419827723 309272686 /nfs/dbraw/zinc/27/26/86/309272686.db2.gz BSOUIPICJNIGQC-RHSMWYFYSA-N 2 0 345.874 3.331 20 0 EGADRP C[N@H+](CCOc1ccc(Br)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420295975 309279866 /nfs/dbraw/zinc/27/98/66/309279866.db2.gz BGQVUZRBYDNOPD-AWEZNQCLSA-N 2 0 341.293 3.149 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420303276 309280476 /nfs/dbraw/zinc/28/04/76/309280476.db2.gz CPVRKCOZWOGWDS-KRWDZBQOSA-N 2 0 325.456 3.221 20 0 EGADRP COc1ccc(C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C2CC2)cc1 ZINC000420302886 309280584 /nfs/dbraw/zinc/28/05/84/309280584.db2.gz JVQJCHCHNIWJLV-SFHVURJKSA-N 2 0 340.467 3.411 20 0 EGADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420319836 309281891 /nfs/dbraw/zinc/28/18/91/309281891.db2.gz AOXWBYXGWWXYEI-SJORKVTESA-N 2 0 341.455 3.172 20 0 EGADRP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc2o1 ZINC000420328939 309282480 /nfs/dbraw/zinc/28/24/80/309282480.db2.gz NOOLAVKWOPWYQV-HOTGVXAUSA-N 2 0 342.439 3.041 20 0 EGADRP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420327963 309282503 /nfs/dbraw/zinc/28/25/03/309282503.db2.gz LXILKVUNLGVQQM-ZWKOTPCHSA-N 2 0 325.456 3.472 20 0 EGADRP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420327962 309282721 /nfs/dbraw/zinc/28/27/21/309282721.db2.gz LXILKVUNLGVQQM-ROUUACIJSA-N 2 0 325.456 3.472 20 0 EGADRP Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)ccc1F ZINC000420334817 309282771 /nfs/dbraw/zinc/28/27/71/309282771.db2.gz LISCYRWVSJCHTD-BMFZPTHFSA-N 2 0 344.434 3.177 20 0 EGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332708 309282850 /nfs/dbraw/zinc/28/28/50/309282850.db2.gz SEHZPHKJLNSVCF-MCIONIFRSA-N 2 0 332.473 3.181 20 0 EGADRP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344930 309283426 /nfs/dbraw/zinc/28/34/26/309283426.db2.gz VAZNIAFEJYRDOX-MSOLQXFVSA-N 2 0 329.488 3.070 20 0 EGADRP CC[C@@H]([NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000420371087 309284832 /nfs/dbraw/zinc/28/48/32/309284832.db2.gz KEWUCJZIHYQNJF-FXAWDEMLSA-N 2 0 328.456 3.487 20 0 EGADRP CCOc1c(C[NH2+]C2CCC([NH+](C)C)CC2)c(C)nn1CC(C)C ZINC000421376566 309321392 /nfs/dbraw/zinc/32/13/92/309321392.db2.gz RMUBPMXNMAAGJQ-UHFFFAOYSA-N 2 0 336.524 3.209 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421374921 309321475 /nfs/dbraw/zinc/32/14/75/309321475.db2.gz PKRSXGXQYFRVRH-UHFFFAOYSA-N 2 0 328.460 3.048 20 0 EGADRP CC[NH+]1CCC(N2CCCN(Cc3cc(Cl)cs3)CC2)CC1 ZINC000421375966 309321505 /nfs/dbraw/zinc/32/15/05/309321505.db2.gz PPIGRJGRGMDODL-UHFFFAOYSA-N 2 0 341.952 3.394 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1OC ZINC000421376916 309321715 /nfs/dbraw/zinc/32/17/15/309321715.db2.gz RGNIPGIPNDOFPA-NNGSBXSVSA-N 2 0 334.504 3.406 20 0 EGADRP Cn1cc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)c2cccc(F)c2)cn1 ZINC000421867012 309344204 /nfs/dbraw/zinc/34/42/04/309344204.db2.gz ARXKICLAAQKVJK-ACBHZAAOSA-N 2 0 330.451 3.111 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C[NH3+] ZINC000422559436 309361737 /nfs/dbraw/zinc/36/17/37/309361737.db2.gz CWABVTWHRVBGLO-BFYDXBDKSA-N 2 0 326.444 3.074 20 0 EGADRP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422636685 309363109 /nfs/dbraw/zinc/36/31/09/309363109.db2.gz NLWIVKDPYSSCDA-ZNMIVQPWSA-N 2 0 335.517 3.042 20 0 EGADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721637 309364853 /nfs/dbraw/zinc/36/48/53/309364853.db2.gz VWEAJSRKTPYDQJ-STZQEDGTSA-N 2 0 335.495 3.285 20 0 EGADRP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000422720426 309365011 /nfs/dbraw/zinc/36/50/11/309365011.db2.gz MLPLVZBMIMFDMH-KBPBESRZSA-N 2 0 345.443 3.107 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422733228 309365683 /nfs/dbraw/zinc/36/56/83/309365683.db2.gz QLKLWHXKRPBRCX-RDTXWAMCSA-N 2 0 344.528 3.398 20 0 EGADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422731174 309365718 /nfs/dbraw/zinc/36/57/18/309365718.db2.gz GMGLENCHTUUZDL-CEWLAPEOSA-N 2 0 338.451 3.220 20 0 EGADRP CC[N@H+](C)Cc1cccc(CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422742507 309366266 /nfs/dbraw/zinc/36/62/66/309366266.db2.gz QBMTWMIYAICHJW-UTKZUKDTSA-N 2 0 325.500 3.186 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422750520 309366570 /nfs/dbraw/zinc/36/65/70/309366570.db2.gz BHEFEINNJKCQFS-QAPCUYQASA-N 2 0 336.907 3.495 20 0 EGADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422753081 309366645 /nfs/dbraw/zinc/36/66/45/309366645.db2.gz DLYRIZVMQGXQLW-DOMZBBRYSA-N 2 0 329.257 3.238 20 0 EGADRP CCC(CC)(CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422758231 309366846 /nfs/dbraw/zinc/36/68/46/309366846.db2.gz IOIUSCGIKJIDRX-HNBVOPMISA-N 2 0 347.547 3.238 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422758572 309366927 /nfs/dbraw/zinc/36/69/27/309366927.db2.gz FDRZKIFHRJSCCN-SESVDKBCSA-N 2 0 338.499 3.499 20 0 EGADRP CC[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422771030 309367462 /nfs/dbraw/zinc/36/74/62/309367462.db2.gz VIHVYSIEMMNXFO-IHPCNDPISA-N 2 0 345.531 3.007 20 0 EGADRP C[C@H](C[C@@H]1COCC[NH2+]1)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000422774016 309367640 /nfs/dbraw/zinc/36/76/40/309367640.db2.gz ZSWFRQQGBAYAJX-QWFCFKBJSA-N 2 0 345.531 3.007 20 0 EGADRP CCC(CC)(CN[C@H](C)C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000422773971 309367789 /nfs/dbraw/zinc/36/77/89/309367789.db2.gz ZNEOTWYTYLPJHY-GGPKGHCWSA-N 2 0 347.547 3.253 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2c(C)cc(C)cc2C)CC[NH2+]CC1 ZINC000422782409 309368089 /nfs/dbraw/zinc/36/80/89/309368089.db2.gz MWGQUMWECQJXQX-KRWDZBQOSA-N 2 0 332.488 3.023 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000422799841 309369040 /nfs/dbraw/zinc/36/90/40/309369040.db2.gz YVIWUVCVVKXPMR-AUUYWEPGSA-N 2 0 325.456 3.260 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC[NH2+]CC1 ZINC000422810236 309369603 /nfs/dbraw/zinc/36/96/03/309369603.db2.gz NBOUHQHHKGCHDI-APWZRJJASA-N 2 0 344.499 3.357 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422827874 309370465 /nfs/dbraw/zinc/37/04/65/309370465.db2.gz ABVNALXRQSZYOG-HZPDHXFCSA-N 2 0 335.455 3.150 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422831038 309370774 /nfs/dbraw/zinc/37/07/74/309370774.db2.gz SDLMYLJNMURVER-PXNSSMCTSA-N 2 0 326.488 3.332 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422831215 309370944 /nfs/dbraw/zinc/37/09/44/309370944.db2.gz JJGSHWASBGAPJV-FNAHDJPLSA-N 2 0 343.559 3.450 20 0 EGADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422838835 309371065 /nfs/dbraw/zinc/37/10/65/309371065.db2.gz YGMXSRQNHHVDNP-AYWYSENESA-N 2 0 327.516 3.413 20 0 EGADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccccc1Br ZINC000422836603 309371082 /nfs/dbraw/zinc/37/10/82/309371082.db2.gz KNQVLTIXNYXTOC-HSBZDZAISA-N 2 0 341.293 3.324 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422861247 309372506 /nfs/dbraw/zinc/37/25/06/309372506.db2.gz NRVNKOKTIBGQKP-RYGJVYDSSA-N 2 0 326.440 3.321 20 0 EGADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCC[C@H]1C ZINC000422862975 309372552 /nfs/dbraw/zinc/37/25/52/309372552.db2.gz OIRYLOMQMSVXPX-ZJSJBZJDSA-N 2 0 343.515 3.095 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422862689 309372576 /nfs/dbraw/zinc/37/25/76/309372576.db2.gz KRKHIQOAUVMNDW-HSALFYBXSA-N 2 0 346.515 3.421 20 0 EGADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)C1C[NH2+]C1 ZINC000422879556 309373634 /nfs/dbraw/zinc/37/36/34/309373634.db2.gz MNGOVHJWSWRGNM-LBPRGKRZSA-N 2 0 343.298 3.239 20 0 EGADRP COc1cc(C)ccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422881563 309373772 /nfs/dbraw/zinc/37/37/72/309373772.db2.gz YYCAQZTZZBIEIV-WIYYLYMNSA-N 2 0 338.451 3.349 20 0 EGADRP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422891446 309374618 /nfs/dbraw/zinc/37/46/18/309374618.db2.gz KNMLLNCZPFBFDE-VAMGGRTRSA-N 2 0 343.515 3.227 20 0 EGADRP c1ccc(SC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422902475 309375129 /nfs/dbraw/zinc/37/51/29/309375129.db2.gz DHVXTPJLLNCSQI-KZNAEPCWSA-N 2 0 332.513 3.058 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422902102 309375308 /nfs/dbraw/zinc/37/53/08/309375308.db2.gz CXOMKBQUDWOTQP-DZGCQCFKSA-N 2 0 325.884 3.034 20 0 EGADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422903999 309375325 /nfs/dbraw/zinc/37/53/25/309375325.db2.gz GHTGTWBHYPJESQ-FCHUYYIVSA-N 3 0 343.559 3.438 20 0 EGADRP COc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422903763 309375378 /nfs/dbraw/zinc/37/53/78/309375378.db2.gz WLNQJMMPCVJACW-HSALFYBXSA-N 2 0 332.488 3.365 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422905496 309375686 /nfs/dbraw/zinc/37/56/86/309375686.db2.gz ZDVDVOKBOMFOSV-YPAWHYETSA-N 2 0 341.543 3.470 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422912098 309375838 /nfs/dbraw/zinc/37/58/38/309375838.db2.gz VJQQWSSCQAPZKS-CWRNSKLLSA-N 2 0 337.895 3.034 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422913956 309375971 /nfs/dbraw/zinc/37/59/71/309375971.db2.gz ZOCHJWOHFYQALP-BBTUJRGHSA-N 2 0 325.500 3.055 20 0 EGADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422925939 309376502 /nfs/dbraw/zinc/37/65/02/309376502.db2.gz BYJVFDMAZCVAPZ-RAQOOLMWSA-N 2 0 341.268 3.392 20 0 EGADRP c1sc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422936365 309376972 /nfs/dbraw/zinc/37/69/72/309376972.db2.gz MEYNPIJJSCGYCB-KZNAEPCWSA-N 2 0 330.497 3.191 20 0 EGADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422936993 309377028 /nfs/dbraw/zinc/37/70/28/309377028.db2.gz NKVCUWXIKRRFNV-GJZGRUSLSA-N 2 0 329.257 3.380 20 0 EGADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc2c(c1)OCCO2 ZINC000422950702 309377744 /nfs/dbraw/zinc/37/77/44/309377744.db2.gz WNYCFAXARWAXNB-KDOFPFPSSA-N 2 0 341.455 3.422 20 0 EGADRP COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)O[C@@H](C)C2 ZINC000422968018 309378738 /nfs/dbraw/zinc/37/87/38/309378738.db2.gz QJFSJQGFHBYOPJ-STQMWFEESA-N 2 0 341.455 3.032 20 0 EGADRP CCC(CC)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[NH+](C)C ZINC000422965679 309378768 /nfs/dbraw/zinc/37/87/68/309378768.db2.gz PJZOCPNQWHAYJN-DYXWJJEUSA-N 2 0 345.531 3.198 20 0 EGADRP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422988998 309379649 /nfs/dbraw/zinc/37/96/49/309379649.db2.gz KGYSRPFZIBGLMW-QGAVKGNSSA-N 2 0 346.474 3.418 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422991917 309379731 /nfs/dbraw/zinc/37/97/31/309379731.db2.gz QLJFQEDEKWNCRF-IAOVAPTHSA-N 2 0 344.421 3.106 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422996520 309380023 /nfs/dbraw/zinc/38/00/23/309380023.db2.gz MJZPKDCKLMCVRO-HMXCVIKNSA-N 2 0 329.532 3.437 20 0 EGADRP COc1cc(NCC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc(OC)c1 ZINC000422997729 309380093 /nfs/dbraw/zinc/38/00/93/309380093.db2.gz BQBFRCAQYBJCOF-HOTGVXAUSA-N 2 0 335.492 3.016 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005371 309380596 /nfs/dbraw/zinc/38/05/96/309380596.db2.gz RRAYXGRESFYLBF-XJKSGUPXSA-N 2 0 330.394 3.243 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000423011397 309380867 /nfs/dbraw/zinc/38/08/67/309380867.db2.gz ZKUFVMQLQDFYOG-KZNAEPCWSA-N 2 0 325.456 3.254 20 0 EGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013492 309381016 /nfs/dbraw/zinc/38/10/16/309381016.db2.gz MYLAMNXVMXKICR-FMVWZJFZSA-N 2 0 341.268 3.392 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015511 309381150 /nfs/dbraw/zinc/38/11/50/309381150.db2.gz RIBMGIBNMQLLHK-NXEZZACHSA-N 2 0 339.789 3.238 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC[NH2+]CC1 ZINC000423022475 309381522 /nfs/dbraw/zinc/38/15/22/309381522.db2.gz HSIQSHXRDMGZAC-TXPKVOOTSA-N 2 0 344.499 3.221 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423028613 309381786 /nfs/dbraw/zinc/38/17/86/309381786.db2.gz SSPQTSLSQVMLTH-GFCCVEGCSA-N 2 0 332.517 3.496 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031263 309381919 /nfs/dbraw/zinc/38/19/19/309381919.db2.gz WXLQORNGHYIMTQ-NMVRNDPTSA-N 2 0 339.886 3.060 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423033205 309382001 /nfs/dbraw/zinc/38/20/01/309382001.db2.gz ZEADPOYNSGOWMB-SUYBPPKGSA-N 3 0 327.875 3.189 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000423033570 309382057 /nfs/dbraw/zinc/38/20/57/309382057.db2.gz XDGYSJTYAQDBJZ-FXAWDEMLSA-N 2 0 330.520 3.160 20 0 EGADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423050987 309383209 /nfs/dbraw/zinc/38/32/09/309383209.db2.gz MQHAPOXRNARKRI-YHELAOLJSA-N 2 0 344.499 3.426 20 0 EGADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423052150 309383282 /nfs/dbraw/zinc/38/32/82/309383282.db2.gz PVQNJODIZGXODF-UIAACRFSSA-N 2 0 342.483 3.469 20 0 EGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423058857 309383517 /nfs/dbraw/zinc/38/35/17/309383517.db2.gz KKNVXFQSDBQQGE-BRWVUGGUSA-N 2 0 342.405 3.261 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423068012 309384061 /nfs/dbraw/zinc/38/40/61/309384061.db2.gz JETTYHLURKCKRJ-UWHLTILDSA-N 2 0 330.516 3.248 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CCCC(F)(F)F)CC[NH2+]CC1 ZINC000423078562 309384793 /nfs/dbraw/zinc/38/47/93/309384793.db2.gz WDYLOPZPRPASKG-OLZOCXBDSA-N 2 0 338.414 3.019 20 0 EGADRP c1ccc(N2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423089583 309385438 /nfs/dbraw/zinc/38/54/38/309385438.db2.gz VMYFIAGPJSKYEP-CWJKEVGVSA-N 2 0 327.516 3.413 20 0 EGADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423092468 309385558 /nfs/dbraw/zinc/38/55/58/309385558.db2.gz BZJJLVNVPXTGMR-DQIJQRSUSA-N 2 0 332.463 3.209 20 0 EGADRP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423110558 309386501 /nfs/dbraw/zinc/38/65/01/309386501.db2.gz VBBKVHXLEWLQAT-ZCNNSNEGSA-N 2 0 325.456 3.032 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423124876 309387012 /nfs/dbraw/zinc/38/70/12/309387012.db2.gz MVHSAARSSGRKTH-APWZRJJASA-N 2 0 344.499 3.283 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423134214 309387565 /nfs/dbraw/zinc/38/75/65/309387565.db2.gz DRFAEIRYUPDLPZ-GIVPXCGWSA-N 3 0 329.532 3.266 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423144417 309388193 /nfs/dbraw/zinc/38/81/93/309388193.db2.gz YWLKJHKBDULQLA-ZBFHGGJFSA-N 2 0 342.462 3.165 20 0 EGADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423170431 309389029 /nfs/dbraw/zinc/38/90/29/309389029.db2.gz LVXSZDVWMKZJOJ-UNTBTUBKSA-N 2 0 338.854 3.082 20 0 EGADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]CCCN3CC[NH2+]CC3)C2)cc1 ZINC000423182988 309389613 /nfs/dbraw/zinc/38/96/13/309389613.db2.gz KSCOMDWECFYBJJ-IEBWSBKVSA-N 2 0 335.923 3.251 20 0 EGADRP Clc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423189201 309389669 /nfs/dbraw/zinc/38/96/69/309389669.db2.gz QMPGZJPPHMKZHV-HXUWFJFHSA-N 2 0 343.902 3.314 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423187889 309389806 /nfs/dbraw/zinc/38/98/06/309389806.db2.gz YJSKQZWMJIYUAZ-MRXNPFEDSA-N 2 0 330.303 3.329 20 0 EGADRP Clc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C2CC2)cc1Cl ZINC000423192048 309389973 /nfs/dbraw/zinc/38/99/73/309389973.db2.gz VFATZEKNAFEQIR-QGZVFWFLSA-N 2 0 342.314 3.329 20 0 EGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423201396 309390252 /nfs/dbraw/zinc/39/02/52/309390252.db2.gz IODOQJLJFFGOGD-SNVBAGLBSA-N 2 0 336.694 3.203 20 0 EGADRP Fc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423206247 309390299 /nfs/dbraw/zinc/39/02/99/309390299.db2.gz QDXYUIOKTOJCST-LJQANCHMSA-N 2 0 347.865 3.063 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423283433 309393910 /nfs/dbraw/zinc/39/39/10/309393910.db2.gz WDKOVXXBNSOVLP-RRFJBIMHSA-N 2 0 334.460 3.249 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423282657 309393965 /nfs/dbraw/zinc/39/39/65/309393965.db2.gz WQIKMUCESWFDJE-RXVVDRJESA-N 2 0 339.483 3.353 20 0 EGADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423301420 309394399 /nfs/dbraw/zinc/39/43/99/309394399.db2.gz GDKYOLPTVYCXRA-MEBBXXQBSA-N 2 0 336.277 3.492 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000423307481 309394621 /nfs/dbraw/zinc/39/46/21/309394621.db2.gz NGVIZUWOJOCPRU-OXQOHEQNSA-N 2 0 337.467 3.273 20 0 EGADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH3+])C(C)C)c(Br)c1 ZINC000423314026 309394776 /nfs/dbraw/zinc/39/47/76/309394776.db2.gz XVCZNOYJASAVPJ-NHYWBVRUSA-N 2 0 329.282 3.339 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423323643 309395081 /nfs/dbraw/zinc/39/50/81/309395081.db2.gz IHJBPXFQOMZAJG-MRXNPFEDSA-N 2 0 342.487 3.039 20 0 EGADRP C[C@]1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CCC[NH2+]C1 ZINC000423330267 309395447 /nfs/dbraw/zinc/39/54/47/309395447.db2.gz FQDIEKAQRACTFC-RISCZKNCSA-N 2 0 329.307 3.477 20 0 EGADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000423334479 309395812 /nfs/dbraw/zinc/39/58/12/309395812.db2.gz OZGDEYPMWOVRQC-MDZRGWNJSA-N 2 0 329.488 3.245 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423352860 309396673 /nfs/dbraw/zinc/39/66/73/309396673.db2.gz CCJPSHWFAUHWKG-CQSZACIVSA-N 2 0 326.440 3.028 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000423358404 309396757 /nfs/dbraw/zinc/39/67/57/309396757.db2.gz NEEGSYAJLQDQDS-PMACEKPBSA-N 2 0 349.563 3.255 20 0 EGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423359831 309396896 /nfs/dbraw/zinc/39/68/96/309396896.db2.gz KZDLSTNMDDATLJ-MJQMVNBJSA-N 2 0 345.531 3.195 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000423359860 309396971 /nfs/dbraw/zinc/39/69/71/309396971.db2.gz PROLFNMIXVTVEM-OAHLLOKOSA-N 2 0 329.488 3.091 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H](C)[NH3+] ZINC000423359349 309397030 /nfs/dbraw/zinc/39/70/30/309397030.db2.gz OXVVBJQYWIFDRH-FXAWDEMLSA-N 2 0 345.531 3.298 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423365046 309397077 /nfs/dbraw/zinc/39/70/77/309397077.db2.gz PCCBFKIAICELFH-WOZUAGRISA-N 3 0 327.516 3.019 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423381728 309397889 /nfs/dbraw/zinc/39/78/89/309397889.db2.gz NXZWCZCRAGLTIQ-RQXATKFSSA-N 2 0 327.516 3.160 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423383592 309397963 /nfs/dbraw/zinc/39/79/63/309397963.db2.gz KKZNDFTWAXKQJR-CRSSMBPESA-N 3 0 327.516 3.147 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(I)cc1 ZINC000423382879 309398012 /nfs/dbraw/zinc/39/80/12/309398012.db2.gz JZTVNIXHIPGBJB-BPNCWPANSA-N 2 0 344.240 3.212 20 0 EGADRP C[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000423393337 309398427 /nfs/dbraw/zinc/39/84/27/309398427.db2.gz QZJCXERMRBSQRH-VQIMIIECSA-N 2 0 333.520 3.056 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423401460 309398726 /nfs/dbraw/zinc/39/87/26/309398726.db2.gz XQHGRJMXGHWVAM-KBRIMQKVSA-N 2 0 341.421 3.051 20 0 EGADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423405070 309398831 /nfs/dbraw/zinc/39/88/31/309398831.db2.gz JAGHHBCCFGWPGG-HNNXBMFYSA-N 2 0 342.430 3.345 20 0 EGADRP CCOc1cccc2cc([C@H](C)[NH2+]CC3(COC)CC[NH2+]CC3)oc21 ZINC000423406997 309398905 /nfs/dbraw/zinc/39/89/05/309398905.db2.gz LMFLBNKTFPSYOZ-HNNXBMFYSA-N 2 0 346.471 3.498 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000423426959 309399843 /nfs/dbraw/zinc/39/98/43/309399843.db2.gz PYXJKMRKOABPFY-BRWVUGGUSA-N 2 0 334.504 3.298 20 0 EGADRP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C2 ZINC000423433523 309400267 /nfs/dbraw/zinc/40/02/67/309400267.db2.gz JZBCHMCNCCMSIF-OKZBNKHCSA-N 2 0 349.316 3.284 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cncn2)cc1Cl ZINC000423476820 309401776 /nfs/dbraw/zinc/40/17/76/309401776.db2.gz RSYXPTRPLPSJFY-MELADBBJSA-N 2 0 333.867 3.089 20 0 EGADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423477810 309401823 /nfs/dbraw/zinc/40/18/23/309401823.db2.gz KNIQOGHERKEPMV-CTNGQTDRSA-N 2 0 339.483 3.496 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000423498202 309403222 /nfs/dbraw/zinc/40/32/22/309403222.db2.gz GPHVFMUCGYNCOY-QJPTWQEYSA-N 2 0 327.266 3.236 20 0 EGADRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000423540047 309405640 /nfs/dbraw/zinc/40/56/40/309405640.db2.gz CPYCLBJOSQSVFM-BURFUSLBSA-N 2 0 344.890 3.141 20 0 EGADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000423563082 309406351 /nfs/dbraw/zinc/40/63/51/309406351.db2.gz KPMASLLNSABRSY-INIZCTEOSA-N 2 0 329.513 3.392 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000423753017 309411607 /nfs/dbraw/zinc/41/16/07/309411607.db2.gz BGJKMOOXHDBPGW-HKUYNNGSSA-N 2 0 343.515 3.289 20 0 EGADRP CC(C)(C)[C@H]1CCC[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000423860456 309417099 /nfs/dbraw/zinc/41/70/99/309417099.db2.gz MYWWINKJFCIEBH-WMZOPIPTSA-N 2 0 337.552 3.301 20 0 EGADRP C[C@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)C(C)(C)C[NH+](C)C ZINC000424142481 309430734 /nfs/dbraw/zinc/43/07/34/309430734.db2.gz IGOGJRYZCVDWAD-RDJZCZTQSA-N 2 0 325.541 3.157 20 0 EGADRP [NH3+][C@H](CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1)CC1CCCCC1 ZINC000424151119 309431036 /nfs/dbraw/zinc/43/10/36/309431036.db2.gz HAKXMXWLJNDWAZ-MOPGFXCFSA-N 2 0 335.536 3.151 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000430579429 309611711 /nfs/dbraw/zinc/61/17/11/309611711.db2.gz GINRFHTYWCYROP-DOTOQJQBSA-N 2 0 349.544 3.122 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430928507 309621216 /nfs/dbraw/zinc/62/12/16/309621216.db2.gz UGJUHDIZRZFLGV-SOUVJXGZSA-N 2 0 343.471 3.058 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000430957962 309622082 /nfs/dbraw/zinc/62/20/82/309622082.db2.gz REYWFHUCKLYEJI-HNNXBMFYSA-N 2 0 349.494 3.012 20 0 EGADRP COc1cccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)c1 ZINC000431017245 309623568 /nfs/dbraw/zinc/62/35/68/309623568.db2.gz OQEPPMNYHFLVTN-UHFFFAOYSA-N 2 0 343.496 3.394 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432232643 309655331 /nfs/dbraw/zinc/65/53/31/309655331.db2.gz NQZZPFZPPXUWIY-GFCCVEGCSA-N 2 0 348.293 3.248 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000437022199 309785756 /nfs/dbraw/zinc/78/57/56/309785756.db2.gz NNNWGDJPMJJJFN-SJLPKXTDSA-N 2 0 332.488 3.094 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000447084942 309973829 /nfs/dbraw/zinc/97/38/29/309973829.db2.gz GSSLQALLRKIOBM-MRXNPFEDSA-N 2 0 337.533 3.050 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000447556682 309982077 /nfs/dbraw/zinc/98/20/77/309982077.db2.gz GZIOZCXYGWYLMS-INIZCTEOSA-N 2 0 341.499 3.338 20 0 EGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000447560278 309982303 /nfs/dbraw/zinc/98/23/03/309982303.db2.gz CHKJQTLRCAQDJD-LJQANCHMSA-N 2 0 328.456 3.430 20 0 EGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CSC[C@H]3C)CC2)c1 ZINC000449071269 310034842 /nfs/dbraw/zinc/03/48/42/310034842.db2.gz GYUZCLDOWDRBDE-UYAOXDASSA-N 2 0 347.572 3.238 20 0 EGADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000449076022 310035176 /nfs/dbraw/zinc/03/51/76/310035176.db2.gz GGXTXCPUVBHRGP-INIZCTEOSA-N 2 0 341.503 3.128 20 0 EGADRP CC(C)COc1ccccc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000449078084 310035233 /nfs/dbraw/zinc/03/52/33/310035233.db2.gz UGZVMFFNWJIRIB-FQEVSTJZSA-N 2 0 347.547 3.083 20 0 EGADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449163960 310041553 /nfs/dbraw/zinc/04/15/53/310041553.db2.gz XMBGKLCZZZZRIA-IRXDYDNUSA-N 2 0 342.483 3.454 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449196863 310043925 /nfs/dbraw/zinc/04/39/25/310043925.db2.gz ZLOUNECIHJAQJL-MRXNPFEDSA-N 2 0 330.472 3.189 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449218693 310045492 /nfs/dbraw/zinc/04/54/92/310045492.db2.gz ACLNKCOYXLEGKA-OAHLLOKOSA-N 2 0 347.272 3.035 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000449314162 310052596 /nfs/dbraw/zinc/05/25/96/310052596.db2.gz QISBXVDPDVIMDH-HKUYNNGSSA-N 2 0 349.563 3.312 20 0 EGADRP Cc1cccc(CC[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000449329603 310054021 /nfs/dbraw/zinc/05/40/21/310054021.db2.gz OTVLZZFAHILLQM-UHFFFAOYSA-N 2 0 327.472 3.053 20 0 EGADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332092 310054103 /nfs/dbraw/zinc/05/41/03/310054103.db2.gz QALQSUQITUONJE-MSOLQXFVSA-N 2 0 330.472 3.154 20 0 EGADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449449597 310062698 /nfs/dbraw/zinc/06/26/98/310062698.db2.gz MANGONUAQPXTFU-BTHPGYMESA-N 2 0 330.516 3.426 20 0 EGADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449449602 310063025 /nfs/dbraw/zinc/06/30/25/310063025.db2.gz MANGONUAQPXTFU-VBSBHUPXSA-N 2 0 330.516 3.426 20 0 EGADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000449714819 310082152 /nfs/dbraw/zinc/08/21/52/310082152.db2.gz AEMLWOVEJCYMOM-GUDVDZBRSA-N 2 0 330.516 3.284 20 0 EGADRP CSCC[NH+](C)Cc1cc(C[N@@H+](C)CCSC)ccc1F ZINC000450494780 310126272 /nfs/dbraw/zinc/12/62/72/310126272.db2.gz OSSXEQLHJWJTPN-UHFFFAOYSA-N 2 0 330.538 3.415 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC000450584548 310131384 /nfs/dbraw/zinc/13/13/84/310131384.db2.gz LJVSQELNRKQKNL-UHFFFAOYSA-N 2 0 349.950 3.373 20 0 EGADRP C[C@@H]1C[N@H+](CC/C=C/c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000450651821 310135209 /nfs/dbraw/zinc/13/52/09/310135209.db2.gz LZCWYOQVJDWWLU-ZAOIQFLMSA-N 2 0 327.516 3.190 20 0 EGADRP CC(=O)c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000450890650 310148229 /nfs/dbraw/zinc/14/82/29/310148229.db2.gz WECGNGNNZLMNEQ-SZPZYZBQSA-N 2 0 334.463 3.453 20 0 EGADRP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092983 310257405 /nfs/dbraw/zinc/25/74/05/310257405.db2.gz ROWWQUXBWNTVFX-INMHGKMJSA-N 2 0 330.501 3.452 20 0 EGADRP OCCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453106375 310258358 /nfs/dbraw/zinc/25/83/58/310258358.db2.gz YTLHQHNNIPOMLT-AQNXPRMDSA-N 2 0 348.556 3.135 20 0 EGADRP CCC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCC1 ZINC000453120574 310259401 /nfs/dbraw/zinc/25/94/01/310259401.db2.gz CTVGLQXUBVEAOH-GOSISDBHSA-N 2 0 337.552 3.172 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453159417 310261475 /nfs/dbraw/zinc/26/14/75/310261475.db2.gz LQDQXXNLXGSBBH-FGZHOGPDSA-N 2 0 342.527 3.292 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3cnccn3)[C@@H]3CCC[C@H]32)cc1 ZINC000453172466 310262368 /nfs/dbraw/zinc/26/23/68/310262368.db2.gz XWHWPTKGOHERNT-PCCBWWKXSA-N 2 0 336.483 3.052 20 0 EGADRP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cnn1C ZINC000453172671 310262413 /nfs/dbraw/zinc/26/24/13/310262413.db2.gz IKTKQFVIUANXEM-NJDAHSKKSA-N 2 0 338.499 3.261 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000453194782 310263362 /nfs/dbraw/zinc/26/33/62/310263362.db2.gz ICACOMVRXUGNSY-HNAYVOBHSA-N 2 0 330.497 3.474 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453208081 310264058 /nfs/dbraw/zinc/26/40/58/310264058.db2.gz AJWTZLVOHGDOTO-UWHLTILDSA-N 2 0 328.500 3.038 20 0 EGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000453407463 310275293 /nfs/dbraw/zinc/27/52/93/310275293.db2.gz RWXNXUGYYUZDCF-AZUAARDMSA-N 3 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453428344 310276750 /nfs/dbraw/zinc/27/67/50/310276750.db2.gz PUEHKZGAURGOPB-IRXDYDNUSA-N 2 0 334.504 3.483 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(-c2ccnn2C)c1 ZINC000453598590 310283434 /nfs/dbraw/zinc/28/34/34/310283434.db2.gz PTKWVTCJMLTJJY-UHFFFAOYSA-N 2 0 326.488 3.360 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455840171 310378983 /nfs/dbraw/zinc/37/89/83/310378983.db2.gz DAHNJAUSODBAOT-SFHVURJKSA-N 2 0 346.519 3.477 20 0 EGADRP CC1=CC[N@H+](CCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455843306 310379224 /nfs/dbraw/zinc/37/92/24/310379224.db2.gz GKULYJKDOVYHGM-LJQANCHMSA-N 2 0 342.487 3.009 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455872781 310380507 /nfs/dbraw/zinc/38/05/07/310380507.db2.gz ZDLYBKMQGUOOKU-KSSFIOAISA-N 2 0 332.492 3.086 20 0 EGADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481000979 310904142 /nfs/dbraw/zinc/90/41/42/310904142.db2.gz AYSMWQMIVKTRLU-UHFFFAOYSA-N 2 0 346.496 3.462 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CS1 ZINC000488413334 311064392 /nfs/dbraw/zinc/06/43/92/311064392.db2.gz CLSQHRWYBQHKRR-MHORFTMASA-N 2 0 340.577 3.264 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491214143 311168539 /nfs/dbraw/zinc/16/85/39/311168539.db2.gz TWRMERXELMQTRV-UHFFFAOYSA-N 2 0 329.532 3.071 20 0 EGADRP C[C@H](NCC1([NH+](C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690866 312099850 /nfs/dbraw/zinc/09/98/50/312099850.db2.gz LCAVAVSMXHOHOM-AZUAARDMSA-N 3 0 329.532 3.361 20 0 EGADRP C[C@@H](NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709146 312100266 /nfs/dbraw/zinc/10/02/66/312100266.db2.gz FWFJCBYOJGYCOJ-QUCCMNQESA-N 3 0 329.532 3.361 20 0 EGADRP CC[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714058 312100678 /nfs/dbraw/zinc/10/06/78/312100678.db2.gz GUXVYZBBZBOGMO-SESVDKBCSA-N 2 0 329.532 3.361 20 0 EGADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508901450 312105668 /nfs/dbraw/zinc/10/56/68/312105668.db2.gz YVXKNMVOBQOXBZ-HKUYNNGSSA-N 2 0 348.535 3.051 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CC(C)C)C(C)C)CC1 ZINC000512267505 312181290 /nfs/dbraw/zinc/18/12/90/312181290.db2.gz XIENEZUPHPVXLW-UHFFFAOYSA-N 2 0 339.568 3.323 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000512266413 312181312 /nfs/dbraw/zinc/18/13/12/312181312.db2.gz SYIWOQFJORXJQO-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOCC4CC4)[C@@H]3C2)cc1 ZINC000512643734 312191082 /nfs/dbraw/zinc/19/10/82/312191082.db2.gz XYZYBEKFMRNBRD-PWRODBHTSA-N 2 0 328.500 3.303 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000514872349 312251341 /nfs/dbraw/zinc/25/13/41/312251341.db2.gz YGORQTGVCWCJLD-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@](O)(C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(F)(F)F ZINC000515234335 312273071 /nfs/dbraw/zinc/27/30/71/312273071.db2.gz HBCNWLHRAYHGFT-KRWDZBQOSA-N 2 0 344.421 3.466 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)CN1CCOCC1 ZINC000515344200 312277753 /nfs/dbraw/zinc/27/77/53/312277753.db2.gz BELHOFZYHBVSSA-HUUCEWRRSA-N 2 0 344.421 3.367 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cn2)c1 ZINC000516921222 312350868 /nfs/dbraw/zinc/35/08/68/312350868.db2.gz SDIPYGGVQIAJBZ-BEFAXECRSA-N 2 0 341.455 3.360 20 0 EGADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000517230850 312370607 /nfs/dbraw/zinc/37/06/07/312370607.db2.gz KFPDVWKWWLZCCS-NQIIRXRSSA-N 2 0 332.532 3.499 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000517862941 312395800 /nfs/dbraw/zinc/39/58/00/312395800.db2.gz IQADAEFMRYVJFC-OAQYLSRUSA-N 2 0 344.474 3.361 20 0 EGADRP O=C(CC[NH2+]Cc1ccccc1C[NH+]1CCCC1)Nc1ccccc1 ZINC000520396800 312503890 /nfs/dbraw/zinc/50/38/90/312503890.db2.gz MJEQVAVYCHHXLV-UHFFFAOYSA-N 2 0 337.467 3.401 20 0 EGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527865038 312960967 /nfs/dbraw/zinc/96/09/67/312960967.db2.gz LQXFNCMHRCULRK-SFHVURJKSA-N 2 0 339.886 3.082 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(C)cc2)C(C)(C)C)CC1 ZINC000528591822 313125560 /nfs/dbraw/zinc/12/55/60/313125560.db2.gz KOGYNYJMAKRNQI-UHFFFAOYSA-N 2 0 345.531 3.196 20 0 EGADRP COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc(C(F)(F)F)c1 ZINC000529524887 313343036 /nfs/dbraw/zinc/34/30/36/313343036.db2.gz ZRWPFSQXVQETLA-ZDUSSCGKSA-N 2 0 330.394 3.488 20 0 EGADRP C(c1nc(C2CCCC2)no1)C1CC[NH+]([C@H]2CCC[NH2+]CC2)CC1 ZINC000530213722 313498335 /nfs/dbraw/zinc/49/83/35/313498335.db2.gz VPZMUUJMIUBMON-KRWDZBQOSA-N 2 0 332.492 3.124 20 0 EGADRP c1sc2ccccc2c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243055 313504235 /nfs/dbraw/zinc/50/42/35/313504235.db2.gz VDNVAOQFEHRJDP-KRWDZBQOSA-N 2 0 330.497 3.492 20 0 EGADRP FC(F)(F)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530248845 313505260 /nfs/dbraw/zinc/50/52/60/313505260.db2.gz QKTGGDVUSDSTDQ-ZDUSSCGKSA-N 2 0 348.434 3.357 20 0 EGADRP CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1C ZINC000532497749 313807194 /nfs/dbraw/zinc/80/71/94/313807194.db2.gz NDIYOGZGNJBBAJ-HNNXBMFYSA-N 2 0 344.503 3.311 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000536629807 314132631 /nfs/dbraw/zinc/13/26/31/314132631.db2.gz YTXLHVZNXHMUEN-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1(C)C ZINC000537305684 314173617 /nfs/dbraw/zinc/17/36/17/314173617.db2.gz GDCJXTVJLAABLZ-VVWQDTPRSA-N 2 0 334.504 3.337 20 0 EGADRP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000537992211 314222567 /nfs/dbraw/zinc/22/25/67/314222567.db2.gz ZPPRDXPHCNKQRM-KKXYHZGYSA-N 2 0 343.559 3.388 20 0 EGADRP C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539086244 314295510 /nfs/dbraw/zinc/29/55/10/314295510.db2.gz DOAQSCWDLQECTL-OXQOHEQNSA-N 2 0 334.504 3.219 20 0 EGADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000539407562 314312107 /nfs/dbraw/zinc/31/21/07/314312107.db2.gz NKHKDRRIBVQZFQ-FXAWDEMLSA-N 2 0 334.504 3.231 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000540157389 314366396 /nfs/dbraw/zinc/36/63/96/314366396.db2.gz WXMJZQZHUWMBPA-INDMIFKZSA-N 2 0 340.552 3.307 20 0 EGADRP CCCc1ccc([C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)C(C)C)cc1 ZINC000540301718 314373008 /nfs/dbraw/zinc/37/30/08/314373008.db2.gz NTQDLOQDRYAERG-VQTJNVASSA-N 2 0 345.531 3.266 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccccc1 ZINC000544371020 314690681 /nfs/dbraw/zinc/69/06/81/314690681.db2.gz HUEYIRVLAKQDRE-AEFFLSMTSA-N 2 0 333.520 3.352 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000549139705 315077818 /nfs/dbraw/zinc/07/78/18/315077818.db2.gz BCZBUDVVKCMXFU-IBGZPJMESA-N 2 0 338.536 3.301 20 0 EGADRP C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000551274150 315147983 /nfs/dbraw/zinc/14/79/83/315147983.db2.gz LEAZLHPDJBODSY-YLJYHZDGSA-N 2 0 348.531 3.466 20 0 EGADRP Cc1[nH]nc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@@H]3c3ccccc3)cc12 ZINC000551806207 315170014 /nfs/dbraw/zinc/17/00/14/315170014.db2.gz JAXACJQMCQMLBJ-UYAOXDASSA-N 2 0 349.482 3.439 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000552919351 315237677 /nfs/dbraw/zinc/23/76/77/315237677.db2.gz ANFXGCHIWRZEKA-BQJIDLTASA-N 2 0 341.499 3.141 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000554363227 315313124 /nfs/dbraw/zinc/31/31/24/315313124.db2.gz BTJVBKNNULXNMN-UCLAIMLFSA-N 2 0 331.479 3.417 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555525198 315387839 /nfs/dbraw/zinc/38/78/39/315387839.db2.gz YMKQYEQMQRMKGX-ZFWWWQNUSA-N 2 0 337.305 3.238 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000563765207 316065902 /nfs/dbraw/zinc/06/59/02/316065902.db2.gz SMEJLOMXNILWLA-VQTJNVASSA-N 2 0 345.462 3.165 20 0 EGADRP c1ccc(N2CCC[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000563931214 316091695 /nfs/dbraw/zinc/09/16/95/316091695.db2.gz SRXQFAHTBHKWPG-LJQANCHMSA-N 2 0 327.516 3.367 20 0 EGADRP c1ccc(N2CCC[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000563931213 316091959 /nfs/dbraw/zinc/09/19/59/316091959.db2.gz SRXQFAHTBHKWPG-IBGZPJMESA-N 2 0 327.516 3.367 20 0 EGADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000564070210 316108249 /nfs/dbraw/zinc/10/82/49/316108249.db2.gz PXIMPWUNAQFMQT-CWJKEVGVSA-N 2 0 329.532 3.215 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319468 316135437 /nfs/dbraw/zinc/13/54/37/316135437.db2.gz SNOLSPAYLBNFMQ-CEWLAPEOSA-N 2 0 329.532 3.217 20 0 EGADRP c1ccc2c(c1)CC(C[NH+]1CCC(CCC[NH+]3CCOCC3)CC1)C2 ZINC000564537451 316164168 /nfs/dbraw/zinc/16/41/68/316164168.db2.gz XFMSTGFJEOROQH-UHFFFAOYSA-N 2 0 342.527 3.226 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1C ZINC000565241173 316297299 /nfs/dbraw/zinc/29/72/99/316297299.db2.gz AFWMYNUVNXVHSK-IRXDYDNUSA-N 2 0 340.515 3.496 20 0 EGADRP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000565527117 316335997 /nfs/dbraw/zinc/33/59/97/316335997.db2.gz FKOMYXWLLGSNQX-HXUWFJFHSA-N 2 0 344.547 3.114 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000565828645 316374903 /nfs/dbraw/zinc/37/49/03/316374903.db2.gz XNETTXPUFXSKPW-WMLDXEAASA-N 2 0 344.421 3.321 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)ccn2)cc1 ZINC000566089404 316414338 /nfs/dbraw/zinc/41/43/38/316414338.db2.gz PFCMXJWXYFZSEM-HNAYVOBHSA-N 2 0 341.455 3.360 20 0 EGADRP Cc1cccc(CC[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000567760236 316670793 /nfs/dbraw/zinc/67/07/93/316670793.db2.gz OTZXQOWGILZAHB-RTBURBONSA-N 2 0 345.531 3.144 20 0 EGADRP Cc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c(C[NH+](C)C)c1 ZINC000570592145 317078157 /nfs/dbraw/zinc/07/81/57/317078157.db2.gz WCRMFVKUZFZLCT-UHFFFAOYSA-N 2 0 339.483 3.413 20 0 EGADRP CC(C)c1nc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccn21 ZINC000572125919 317295205 /nfs/dbraw/zinc/29/52/05/317295205.db2.gz OMNAZGOGCWNHII-UHFFFAOYSA-N 2 0 326.488 3.422 20 0 EGADRP C[C@H]1C[C@@H](N(C)Cc2ncccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000572407682 317334305 /nfs/dbraw/zinc/33/43/05/317334305.db2.gz DBLBYHNPEAFOHT-WMZOPIPTSA-N 2 0 325.456 3.272 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000572734965 317384553 /nfs/dbraw/zinc/38/45/53/317384553.db2.gz HKWRBRIMCCFBDW-UHFFFAOYSA-N 2 0 332.492 3.134 20 0 EGADRP CCc1cc(C)cc(CC)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000573309552 317466742 /nfs/dbraw/zinc/46/67/42/317466742.db2.gz LGNXADNOTOEREQ-UHFFFAOYSA-N 2 0 348.535 3.077 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000574072273 317558536 /nfs/dbraw/zinc/55/85/36/317558536.db2.gz TWHYSAMQZUKZDQ-HXUWFJFHSA-N 2 0 348.531 3.063 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000178035418 323350467 /nfs/dbraw/zinc/35/04/67/323350467.db2.gz NGPBWGLDMHPCGD-IPMKNSEASA-N 2 0 348.531 3.495 20 0 EGADRP C[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382720141 324253019 /nfs/dbraw/zinc/25/30/19/324253019.db2.gz LICUSGFVNVATTD-YZGWKJHDSA-N 2 0 343.515 3.017 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000385803315 324263715 /nfs/dbraw/zinc/26/37/15/324263715.db2.gz KKXWGCYTCJSPEN-PPGORRQASA-N 2 0 339.527 3.113 20 0 EGADRP CCc1ccc([C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[NH+](C)C)cc1 ZINC000578675980 325002206 /nfs/dbraw/zinc/00/22/06/325002206.db2.gz NJXDYKLFNVBXAC-RBUKOAKNSA-N 2 0 333.520 3.088 20 0 EGADRP CCc1ccc([C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[NH+](C)C)cc1 ZINC000578675979 325002645 /nfs/dbraw/zinc/00/26/45/325002645.db2.gz NJXDYKLFNVBXAC-OALUTQOASA-N 2 0 333.520 3.088 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c(C)nsc2C)CC1 ZINC000579608369 325135140 /nfs/dbraw/zinc/13/51/40/325135140.db2.gz RRLUMQPUNTTWQP-UHFFFAOYSA-N 2 0 325.522 3.083 20 0 EGADRP COc1nc2ccccc2cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000579711344 325149124 /nfs/dbraw/zinc/14/91/24/325149124.db2.gz AANPZHWMTYMRIA-GOSISDBHSA-N 2 0 325.456 3.207 20 0 EGADRP CC(C)COC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000580064078 325197679 /nfs/dbraw/zinc/19/76/79/325197679.db2.gz KESVNLVQYJMIGI-NRFANRHFSA-N 2 0 348.531 3.186 20 0 EGADRP Cc1nc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080302 325201436 /nfs/dbraw/zinc/20/14/36/325201436.db2.gz CBLMQMRGTWVYKQ-GJZGRUSLSA-N 2 0 331.847 3.345 20 0 EGADRP CCOc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc(Br)c1OC ZINC000581548894 325370737 /nfs/dbraw/zinc/37/07/37/325370737.db2.gz ZPVBHQXLZYBEPB-MNOVXSKESA-N 2 0 345.281 3.072 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000581696547 325383040 /nfs/dbraw/zinc/38/30/40/325383040.db2.gz PXIMPWUNAQFMQT-MJUUVYJYSA-N 2 0 329.532 3.215 20 0 EGADRP [NH3+]CC1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCCC1 ZINC000583377994 325518691 /nfs/dbraw/zinc/51/86/91/325518691.db2.gz CXZQCICUQNTKOD-QGZVFWFLSA-N 2 0 349.906 3.112 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000183120641 455233178 /nfs/dbraw/zinc/23/31/78/455233178.db2.gz CIBKGZQPYHZGSX-XLIONFOSSA-N 2 0 339.483 3.099 20 0 EGADRP Cc1cc(F)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000459408234 458361050 /nfs/dbraw/zinc/36/10/50/458361050.db2.gz ISFIFYAMWHKLOT-CQSZACIVSA-N 2 0 328.859 3.114 20 0 EGADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183138883 455237168 /nfs/dbraw/zinc/23/71/68/455237168.db2.gz ZBOSYAZLIOXJAW-FDFHNCONSA-N 3 0 341.543 3.219 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)[C@]2(C)CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000181006337 455275394 /nfs/dbraw/zinc/27/53/94/455275394.db2.gz LXGUEJDYJWISKE-DSKINZAPSA-N 2 0 343.515 3.030 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245611817 455341125 /nfs/dbraw/zinc/34/11/25/455341125.db2.gz ODGJVGUAARCCDK-HIFRSBDPSA-N 2 0 325.522 3.023 20 0 EGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000025408008 453770171 /nfs/dbraw/zinc/77/01/71/453770171.db2.gz OMRQJXQEKPEUJW-GOSISDBHSA-N 2 0 343.515 3.032 20 0 EGADRP CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075022712 453853789 /nfs/dbraw/zinc/85/37/89/453853789.db2.gz VRGPGNLUTNSLJQ-XLIONFOSSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(O)c2)C[C@H](C)O1 ZINC000069833277 454151087 /nfs/dbraw/zinc/15/10/87/454151087.db2.gz AKEYABJTUXMBED-CALCHBBNSA-N 2 0 340.467 3.291 20 0 EGADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000265981725 455420120 /nfs/dbraw/zinc/42/01/20/455420120.db2.gz BRJCWCHCILXMLG-GJZGRUSLSA-N 2 0 340.414 3.003 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC000070395553 454168481 /nfs/dbraw/zinc/16/84/81/454168481.db2.gz SFQSNGUQJXBXRB-ZDUSSCGKSA-N 2 0 328.298 3.444 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)[C@H](C)C1 ZINC000089627533 454170160 /nfs/dbraw/zinc/17/01/60/454170160.db2.gz DAHGMOASRJRVOL-AEFFLSMTSA-N 2 0 327.472 3.324 20 0 EGADRP c1sc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccncc1 ZINC000089669112 454175608 /nfs/dbraw/zinc/17/56/08/454175608.db2.gz QVOLFPDIGBJKLE-DLBZAZTESA-N 2 0 342.512 3.354 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)ccn1 ZINC000130301488 454187823 /nfs/dbraw/zinc/18/78/23/454187823.db2.gz AULLZQYDSMRSNW-LSDHHAIUSA-N 2 0 345.409 3.233 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000071027679 454194334 /nfs/dbraw/zinc/19/43/34/454194334.db2.gz WFXQANBGBDVWIH-UHFFFAOYSA-N 2 0 349.438 3.361 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000131291341 454245950 /nfs/dbraw/zinc/24/59/50/454245950.db2.gz QVOFIPGVAFAGSM-KGLIPLIRSA-N 2 0 345.329 3.134 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028814 454264480 /nfs/dbraw/zinc/26/44/80/454264480.db2.gz TZPVURQLGWJOOC-XLIONFOSSA-N 2 0 343.515 3.181 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CC1 ZINC000090028852 454264913 /nfs/dbraw/zinc/26/49/13/454264913.db2.gz ZNONOQZNNPAXHM-FQEVSTJZSA-N 2 0 343.515 3.036 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000090234753 454297054 /nfs/dbraw/zinc/29/70/54/454297054.db2.gz NVCXUXSGAQOASI-UKRRQHHQSA-N 2 0 330.394 3.448 20 0 EGADRP O[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCc2ccccc21 ZINC000090795632 454339913 /nfs/dbraw/zinc/33/99/13/454339913.db2.gz QAVJSHNSIZVGHJ-OAQYLSRUSA-N 2 0 328.500 3.207 20 0 EGADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090810552 454343116 /nfs/dbraw/zinc/34/31/16/454343116.db2.gz PJMXNJRLVAVBJP-VQIMIIECSA-N 2 0 336.520 3.321 20 0 EGADRP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000090936862 454351635 /nfs/dbraw/zinc/35/16/35/454351635.db2.gz PJILMUQIUMOISI-KRWDZBQOSA-N 2 0 327.472 3.490 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1 ZINC000090937339 454352904 /nfs/dbraw/zinc/35/29/04/454352904.db2.gz KVMGFNXIOZTZMK-CYBMUJFWSA-N 2 0 335.398 3.151 20 0 EGADRP c1cc2c(s1)C[NH+](CCOCC[N@@H+]1CCc3ccsc3C1)CC2 ZINC000132870569 454373886 /nfs/dbraw/zinc/37/38/86/454373886.db2.gz VWGVDKLOMGFQHH-UHFFFAOYSA-N 2 0 348.537 3.243 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120994818 454375159 /nfs/dbraw/zinc/37/51/59/454375159.db2.gz VDNFSTKNBIPTGN-QZTJIDSGSA-N 2 0 333.520 3.008 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000121166135 454400934 /nfs/dbraw/zinc/40/09/34/454400934.db2.gz OFKZQCVCWHOJHS-ZIAGYGMSSA-N 2 0 329.941 3.326 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cn2)CC1 ZINC000091282928 454421400 /nfs/dbraw/zinc/42/14/00/454421400.db2.gz LQCORGFEIBDPRR-NRFANRHFSA-N 2 0 336.483 3.074 20 0 EGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000047978419 454427242 /nfs/dbraw/zinc/42/72/42/454427242.db2.gz BAZVMZADYVLHPD-HXUWFJFHSA-N 2 0 348.531 3.097 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000101652932 454479300 /nfs/dbraw/zinc/47/93/00/454479300.db2.gz LTPNDMLAGPPHEP-IXDOHACOSA-N 2 0 331.504 3.016 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000101727871 454481475 /nfs/dbraw/zinc/48/14/75/454481475.db2.gz UZYBUNCUZCTIQC-LJQANCHMSA-N 2 0 343.515 3.459 20 0 EGADRP C[C@H]1[C@@H]([NH2+]Cc2ccc3nccnc3c2)CCN1Cc1ccccc1 ZINC000634980810 460639096 /nfs/dbraw/zinc/63/90/96/460639096.db2.gz OBIUBDQTFRACED-LPHOPBHVSA-N 2 0 332.451 3.382 20 0 EGADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564618 454498694 /nfs/dbraw/zinc/49/86/94/454498694.db2.gz PRMVBBVGFXICJF-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP FC(F)CN1CCC([NH2+]C[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000134085249 454501674 /nfs/dbraw/zinc/50/16/74/454501674.db2.gz LRHAXWDUXJFJLG-SFHVURJKSA-N 2 0 337.458 3.143 20 0 EGADRP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000074188340 454541749 /nfs/dbraw/zinc/54/17/49/454541749.db2.gz FQDOTXPBMFCNDG-DLBZAZTESA-N 2 0 349.544 3.266 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CCC[NH2+]1 ZINC000134563473 454560730 /nfs/dbraw/zinc/56/07/30/454560730.db2.gz YBISNPJBDVPWMG-FQEVSTJZSA-N 2 0 329.488 3.389 20 0 EGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC(F)(F)F)CC1 ZINC000092409917 454562727 /nfs/dbraw/zinc/56/27/27/454562727.db2.gz VLBXWBMSXTTXAA-UHFFFAOYSA-N 2 0 335.801 3.134 20 0 EGADRP CC[C@]1(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCC[NH2+]1 ZINC000134584050 454564254 /nfs/dbraw/zinc/56/42/54/454564254.db2.gz QCCANHQGDFIKEZ-OAQYLSRUSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134926383 454611502 /nfs/dbraw/zinc/61/15/02/454611502.db2.gz DEOIMMUIDVPBPD-UYAOXDASSA-N 2 0 330.520 3.311 20 0 EGADRP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123190735 454613291 /nfs/dbraw/zinc/61/32/91/454613291.db2.gz YWQHNMDKFVFZAR-HXUWFJFHSA-N 2 0 348.531 3.097 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092746213 454623694 /nfs/dbraw/zinc/62/36/94/454623694.db2.gz QTDXYJOAUXMQKO-QGZVFWFLSA-N 2 0 345.531 3.138 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092742394 454623818 /nfs/dbraw/zinc/62/38/18/454623818.db2.gz ZESLXORKOYPBEK-QGZVFWFLSA-N 2 0 345.531 3.280 20 0 EGADRP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000123390997 454632275 /nfs/dbraw/zinc/63/22/75/454632275.db2.gz CUPWHPAWOCDVBB-KSZLIROESA-N 2 0 345.531 3.169 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000123530612 454648694 /nfs/dbraw/zinc/64/86/94/454648694.db2.gz BUGCUIBAZPRCCV-URLQWDBASA-N 2 0 326.488 3.307 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000123531098 454649034 /nfs/dbraw/zinc/64/90/34/454649034.db2.gz BUGCUIBAZPRCCV-ZSZQSSIHSA-N 2 0 326.488 3.307 20 0 EGADRP C[NH+](C)C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000635002862 460646138 /nfs/dbraw/zinc/64/61/38/460646138.db2.gz ALXWWWZBKLKDQZ-XHSDSOJGSA-N 2 0 329.410 3.168 20 0 EGADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000066139509 454659524 /nfs/dbraw/zinc/65/95/24/454659524.db2.gz KTTIAXYICDVECO-INIZCTEOSA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000093133119 454686621 /nfs/dbraw/zinc/68/66/21/454686621.db2.gz LHHDXGCAFQYUBP-IBGZPJMESA-N 2 0 341.499 3.261 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000152654529 454707438 /nfs/dbraw/zinc/70/74/38/454707438.db2.gz SXRAPJNJHKVVDK-DCGLDWPTSA-N 2 0 337.895 3.295 20 0 EGADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000161678768 454713451 /nfs/dbraw/zinc/71/34/51/454713451.db2.gz IEIOCBDYHRUDES-XJKSGUPXSA-N 2 0 327.875 3.156 20 0 EGADRP CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093476036 454716780 /nfs/dbraw/zinc/71/67/80/454716780.db2.gz NCXVDEUOMWFOEQ-HXUWFJFHSA-N 2 0 334.504 3.264 20 0 EGADRP C/C(=C\c1ccccc1)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136218252 454730266 /nfs/dbraw/zinc/73/02/66/454730266.db2.gz QFQIKSSQKRRDEO-GHRIWEEISA-N 2 0 325.456 3.215 20 0 EGADRP C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000161947884 454739076 /nfs/dbraw/zinc/73/90/76/454739076.db2.gz ATPNGKRSWNQNQJ-FCLVOEFKSA-N 2 0 332.488 3.091 20 0 EGADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000635009062 460652565 /nfs/dbraw/zinc/65/25/65/460652565.db2.gz LVDFWHJTTBEISG-LLVKDONJSA-N 2 0 336.361 3.082 20 0 EGADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010486 460653441 /nfs/dbraw/zinc/65/34/41/460653441.db2.gz MJTJHCIIGVDSLD-LJQANCHMSA-N 2 0 326.415 3.475 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000153801780 454834507 /nfs/dbraw/zinc/83/45/07/454834507.db2.gz KBNQSPFWZJTTAC-MRXNPFEDSA-N 2 0 346.393 3.130 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000177315868 454850917 /nfs/dbraw/zinc/85/09/17/454850917.db2.gz LSQVEGOQNWNMPN-UWJYYQICSA-N 2 0 341.474 3.141 20 0 EGADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163852648 454866906 /nfs/dbraw/zinc/86/69/06/454866906.db2.gz GGCYWOMQTGSDTL-PMACEKPBSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000164309672 454879790 /nfs/dbraw/zinc/87/97/90/454879790.db2.gz SJBQLHXXYQCWSN-VQIMIIECSA-N 2 0 340.467 3.281 20 0 EGADRP COCc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000126352058 454887220 /nfs/dbraw/zinc/88/72/20/454887220.db2.gz XHKJZYVIJDKPHO-UHFFFAOYSA-N 2 0 334.485 3.489 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000126421028 454892119 /nfs/dbraw/zinc/89/21/19/454892119.db2.gz KQRIAAGCBGEEMF-WIYYLYMNSA-N 3 0 329.532 3.491 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000166533870 454912903 /nfs/dbraw/zinc/91/29/03/454912903.db2.gz FFPJDZRNGXOAJT-UHFFFAOYSA-N 2 0 348.288 3.429 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126779367 454917805 /nfs/dbraw/zinc/91/78/05/454917805.db2.gz CFYKILYZZYIVOB-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000150964042 454919499 /nfs/dbraw/zinc/91/94/99/454919499.db2.gz GXCVYZAZGLJMOY-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP CSc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1F ZINC000150967299 454919536 /nfs/dbraw/zinc/91/95/36/454919536.db2.gz UQXMNGSXCUMYFF-CQSZACIVSA-N 2 0 339.524 3.224 20 0 EGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2CCCCC2)CC1 ZINC000150996811 454924178 /nfs/dbraw/zinc/92/41/78/454924178.db2.gz PQUGAWPPTGOLKM-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[C@@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151037708 454928408 /nfs/dbraw/zinc/92/84/08/454928408.db2.gz IRIFCSYSBWDXTG-SFHVURJKSA-N 2 0 347.547 3.105 20 0 EGADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000178038010 454928733 /nfs/dbraw/zinc/92/87/33/454928733.db2.gz ZAXROGBYEAVTIQ-MCIONIFRSA-N 2 0 325.522 3.300 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000151102131 454937383 /nfs/dbraw/zinc/93/73/83/454937383.db2.gz RQKVAZMJFJXLSR-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000151111549 454939221 /nfs/dbraw/zinc/93/92/21/454939221.db2.gz DWINREUUQLBBGP-LSDHHAIUSA-N 2 0 336.476 3.095 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000155017770 454953741 /nfs/dbraw/zinc/95/37/41/454953741.db2.gz OQKDGYFNNYFLDV-HNAYVOBHSA-N 2 0 335.923 3.333 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1)N1CC[NH+](C)CC1 ZINC000127766468 454995614 /nfs/dbraw/zinc/99/56/14/454995614.db2.gz JDGZVMWZMGZHOO-HZPDHXFCSA-N 2 0 344.528 3.097 20 0 EGADRP COC(=O)c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000151626985 455009470 /nfs/dbraw/zinc/00/94/70/455009470.db2.gz DDFNPCZRHZPUJR-INIZCTEOSA-N 2 0 334.435 3.063 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000155605071 455022112 /nfs/dbraw/zinc/02/21/12/455022112.db2.gz QHTCVAGJRMDFKQ-UXLLHSPISA-N 2 0 337.533 3.011 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000155624826 455023561 /nfs/dbraw/zinc/02/35/61/455023561.db2.gz MEFCNSJDOXJIRM-DZKIICNBSA-N 2 0 339.574 3.289 20 0 EGADRP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccccc1 ZINC000128285646 455042468 /nfs/dbraw/zinc/04/24/68/455042468.db2.gz DXFYYZKWHWSTDF-GOSISDBHSA-N 2 0 345.531 3.450 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000179510284 455054145 /nfs/dbraw/zinc/05/41/45/455054145.db2.gz UMKSJYYYYNZVAU-FQEVSTJZSA-N 2 0 339.483 3.498 20 0 EGADRP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000152064363 455068439 /nfs/dbraw/zinc/06/84/39/455068439.db2.gz PYUFWAHZXFRAED-HNNXBMFYSA-N 2 0 342.439 3.207 20 0 EGADRP C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000156451061 455119646 /nfs/dbraw/zinc/11/96/46/455119646.db2.gz WWELZWGRSFOXON-DCGLDWPTSA-N 2 0 348.397 3.071 20 0 EGADRP CC(C)(C)OC1CC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000156592377 455135898 /nfs/dbraw/zinc/13/58/98/455135898.db2.gz LDCRYKHGEPVGBY-UHFFFAOYSA-N 2 0 346.515 3.079 20 0 EGADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccncc1 ZINC000156613148 455138821 /nfs/dbraw/zinc/13/88/21/455138821.db2.gz RLDNBVJENWEOKK-HOTGVXAUSA-N 2 0 342.462 3.384 20 0 EGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000157168665 455169837 /nfs/dbraw/zinc/16/98/37/455169837.db2.gz SWKCWUWWXLUMBD-SFHVURJKSA-N 2 0 349.906 3.109 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180466671 455175131 /nfs/dbraw/zinc/17/51/31/455175131.db2.gz FFKBUQUHFFEUDM-UHFFFAOYSA-N 2 0 337.511 3.393 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000237470129 455186577 /nfs/dbraw/zinc/18/65/77/455186577.db2.gz NSIGFCGJVXGQNV-IAGOWNOFSA-N 2 0 343.515 3.052 20 0 EGADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954508 455199356 /nfs/dbraw/zinc/19/93/56/455199356.db2.gz BTUPQCHRKZQKDA-HNNXBMFYSA-N 2 0 343.437 3.336 20 0 EGADRP CSc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000173387838 455277748 /nfs/dbraw/zinc/27/77/48/455277748.db2.gz AQESTPPAHLNZTL-INIZCTEOSA-N 2 0 335.561 3.333 20 0 EGADRP Cc1ccc2c(CN(C)CC[C@H]3CCCC[N@@H+]3C)cc(=O)oc2c1 ZINC000173637581 455319795 /nfs/dbraw/zinc/31/97/95/455319795.db2.gz HNOCUZREDKGZQX-QGZVFWFLSA-N 2 0 328.456 3.408 20 0 EGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1nccs1 ZINC000245547630 455328206 /nfs/dbraw/zinc/32/82/06/455328206.db2.gz XQSYXURDTAMWEN-WMZOPIPTSA-N 2 0 344.528 3.173 20 0 EGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000190698831 455369244 /nfs/dbraw/zinc/36/92/44/455369244.db2.gz NCYPOSNWUNGZGT-UHFFFAOYSA-N 2 0 326.488 3.278 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C12CCC2 ZINC000245838059 455384032 /nfs/dbraw/zinc/38/40/32/455384032.db2.gz CZNRNAHILJYGBH-QHAWAJNXSA-N 2 0 342.527 3.488 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000245850477 455385101 /nfs/dbraw/zinc/38/51/01/455385101.db2.gz FWQMDDHJNAUDBL-YGWPLHOASA-N 2 0 344.499 3.235 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000245850177 455385402 /nfs/dbraw/zinc/38/54/02/455385402.db2.gz CSCNCJXQTKPLQY-AOIWGVFYSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](CCOCC(F)(F)F)CC1CCN(c2ccccn2)CC1 ZINC000174392039 455385989 /nfs/dbraw/zinc/38/59/89/455385989.db2.gz SNBRKTGHGWPKHX-UHFFFAOYSA-N 2 0 345.409 3.199 20 0 EGADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000245902038 455394598 /nfs/dbraw/zinc/39/45/98/455394598.db2.gz SKQHKSHQNNTWEV-RCCFBDPRSA-N 2 0 345.531 3.180 20 0 EGADRP Cc1ccc(NC2CC[NH+](C(C)C)CC2)cc1NC(=O)CC[NH+](C)C ZINC000184657728 455422468 /nfs/dbraw/zinc/42/24/68/455422468.db2.gz WXFGBKGSKKHAJK-UHFFFAOYSA-N 2 0 346.519 3.170 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000246354878 455475447 /nfs/dbraw/zinc/47/54/47/455475447.db2.gz IASXNDYFKXXZKO-PSOYPTMXSA-N 2 0 328.500 3.277 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(F)c1F ZINC000182270011 455477618 /nfs/dbraw/zinc/47/76/18/455477618.db2.gz JKBFUFBUMZIDAX-YOEHRIQHSA-N 2 0 346.421 3.382 20 0 EGADRP CNC(=O)c1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000185158274 455512992 /nfs/dbraw/zinc/51/29/92/455512992.db2.gz YRHJJTXWCUBCHA-UHFFFAOYSA-N 2 0 331.504 3.181 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C(C)C)cc1)C(C)C ZINC000246630008 455513381 /nfs/dbraw/zinc/51/33/81/455513381.db2.gz FLHDIHVVMDEBRS-FQEVSTJZSA-N 2 0 345.531 3.329 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000246833535 455528314 /nfs/dbraw/zinc/52/83/14/455528314.db2.gz APOYIZGDHJOBPO-LZJOCLMNSA-N 2 0 347.522 3.312 20 0 EGADRP C[C@@H](c1cccnc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267331082 455540993 /nfs/dbraw/zinc/54/09/93/455540993.db2.gz AADTVMAIRBSOAG-KSZLIROESA-N 2 0 331.504 3.354 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247022345 455545738 /nfs/dbraw/zinc/54/57/38/455545738.db2.gz MZCGIXCOLKPICF-DOTOQJQBSA-N 2 0 332.488 3.055 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1Br ZINC000247044657 455550031 /nfs/dbraw/zinc/55/00/31/455550031.db2.gz OKLOCKJAPXDGCQ-SLEUVZQESA-N 2 0 341.293 3.276 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555382 /nfs/dbraw/zinc/55/53/82/455555382.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 2 0 329.532 3.491 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182646598 455560355 /nfs/dbraw/zinc/56/03/55/455560355.db2.gz QNPIHLBIRZJPER-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000247119069 455561565 /nfs/dbraw/zinc/56/15/65/455561565.db2.gz AJLTVIARIJYCPH-YQQAZPJKSA-N 2 0 334.504 3.300 20 0 EGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000247124283 455562756 /nfs/dbraw/zinc/56/27/56/455562756.db2.gz DTHSVPKVSAVVJW-BTHPGYMESA-N 2 0 346.540 3.151 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000185513798 455571270 /nfs/dbraw/zinc/57/12/70/455571270.db2.gz XKXLHOZFPZKPMC-UHFFFAOYSA-N 2 0 332.419 3.152 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@@H](C)C1 ZINC000247230668 455576203 /nfs/dbraw/zinc/57/62/03/455576203.db2.gz YGMMOKWMEAUPJP-MAUKXSAKSA-N 2 0 332.492 3.036 20 0 EGADRP COc1cccc(OCC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185672727 455593721 /nfs/dbraw/zinc/59/37/21/455593721.db2.gz GBHUPBKMGYZXQP-IRXDYDNUSA-N 2 0 332.488 3.317 20 0 EGADRP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000271367491 455613255 /nfs/dbraw/zinc/61/32/55/455613255.db2.gz GIPKBWHNTBTGFJ-ILZDJORESA-N 2 0 334.504 3.481 20 0 EGADRP COC(=O)C1CCC([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000192444008 455618559 /nfs/dbraw/zinc/61/85/59/455618559.db2.gz WUDJOXDOLDNXSN-IPJUCJBFSA-N 2 0 332.488 3.218 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284048552 455628983 /nfs/dbraw/zinc/62/89/83/455628983.db2.gz PHBIRYBFGVWNPS-UHFFFAOYSA-N 2 0 336.439 3.105 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000284176072 455646781 /nfs/dbraw/zinc/64/67/81/455646781.db2.gz QUMBREYSRXJXHP-GJZGRUSLSA-N 2 0 345.466 3.103 20 0 EGADRP C[C@@H]1C[C@@H](N(C)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000248039660 455673393 /nfs/dbraw/zinc/67/33/93/455673393.db2.gz LWPYVRYFFLFCGS-NRSPTQNISA-N 2 0 329.532 3.456 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1ccc(F)cc1Br)C2 ZINC000192719903 455676969 /nfs/dbraw/zinc/67/69/69/455676969.db2.gz INNUUNZPWKKXPW-AGUYFDCRSA-N 2 0 327.241 3.303 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)CC1 ZINC000192741507 455683008 /nfs/dbraw/zinc/68/30/08/455683008.db2.gz SOZAFGXUZWRWMZ-TZIWHRDSSA-N 2 0 329.532 3.281 20 0 EGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000268458423 455689206 /nfs/dbraw/zinc/68/92/06/455689206.db2.gz YOAWTUGXXYPWPH-UHFFFAOYSA-N 2 0 331.287 3.318 20 0 EGADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C2CC2)cc1 ZINC000271578312 455690407 /nfs/dbraw/zinc/69/04/07/455690407.db2.gz ZVVXBLHWFWGXGH-FKBYEOEOSA-N 2 0 342.527 3.284 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284501647 455696864 /nfs/dbraw/zinc/69/68/64/455696864.db2.gz VRSINQVCGDKKLA-AVRDEDQJSA-N 2 0 343.559 3.179 20 0 EGADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923184 455719839 /nfs/dbraw/zinc/71/98/39/455719839.db2.gz JMPALJXEOZTAKB-FGZHOGPDSA-N 2 0 338.495 3.356 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)nnn1-c1ccc(C)cc1 ZINC000268956139 455744195 /nfs/dbraw/zinc/74/41/95/455744195.db2.gz YYSMLQHLZBMJOB-INIZCTEOSA-N 2 0 341.503 3.267 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000268962848 455746571 /nfs/dbraw/zinc/74/65/71/455746571.db2.gz GCJNAYKDUKARFM-LLVKDONJSA-N 2 0 349.327 3.479 20 0 EGADRP c1ccc(CC[NH+]2CCC(NC3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000268988259 455753752 /nfs/dbraw/zinc/75/37/52/455753752.db2.gz IZTABIDHBOKCFI-UHFFFAOYSA-N 2 0 341.543 3.300 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271775276 455754585 /nfs/dbraw/zinc/75/45/85/455754585.db2.gz CLMSPSRNQSDKFM-UHFFFAOYSA-N 2 0 346.425 3.119 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000271795651 455763257 /nfs/dbraw/zinc/76/32/57/455763257.db2.gz HVBBVFFPFNFKGU-UHFFFAOYSA-N 2 0 329.669 3.454 20 0 EGADRP CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269014189 455763627 /nfs/dbraw/zinc/76/36/27/455763627.db2.gz YCPHFEGFLKDMCC-QZTJIDSGSA-N 2 0 336.520 3.322 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000271803761 455766282 /nfs/dbraw/zinc/76/62/82/455766282.db2.gz XYPNJALUBQQFIR-PWRODBHTSA-N 2 0 328.500 3.495 20 0 EGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000269066851 455781431 /nfs/dbraw/zinc/78/14/31/455781431.db2.gz ZDAHEFYFNVTSFK-SFHVURJKSA-N 2 0 345.531 3.438 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269217919 455814171 /nfs/dbraw/zinc/81/41/71/455814171.db2.gz QHVOXDUHQMFJQD-UHFFFAOYSA-N 2 0 349.478 3.183 20 0 EGADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000269257620 455823538 /nfs/dbraw/zinc/82/35/38/455823538.db2.gz TWFOQBTYSVHSFB-LJQANCHMSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000285403009 455836730 /nfs/dbraw/zinc/83/67/30/455836730.db2.gz VVTQIBADNWVBRQ-QFBILLFUSA-N 2 0 348.450 3.117 20 0 EGADRP Cc1cnccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285572523 455872668 /nfs/dbraw/zinc/87/26/68/455872668.db2.gz WGQJSXZYJIBLHS-MRXNPFEDSA-N 2 0 345.393 3.486 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272227409 455883320 /nfs/dbraw/zinc/88/33/20/455883320.db2.gz QURHTCMMOHHZEH-CZTZKLFOSA-N 2 0 338.495 3.394 20 0 EGADRP CCCc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000187307057 455892558 /nfs/dbraw/zinc/89/25/58/455892558.db2.gz KOYDULNLWOPLHF-SFTDATJTSA-N 2 0 330.516 3.497 20 0 EGADRP CCCc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000187307038 455892807 /nfs/dbraw/zinc/89/28/07/455892807.db2.gz KOYDULNLWOPLHF-RTWAWAEBSA-N 2 0 330.516 3.497 20 0 EGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285683231 455895525 /nfs/dbraw/zinc/89/55/25/455895525.db2.gz OAVOTUCTOMHWEA-MRXNPFEDSA-N 2 0 345.487 3.180 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(O)c1 ZINC000194885045 455896282 /nfs/dbraw/zinc/89/62/82/455896282.db2.gz MVUCARZYVIZYJO-INIZCTEOSA-N 2 0 340.467 3.200 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000261622358 455915920 /nfs/dbraw/zinc/91/59/20/455915920.db2.gz BXKOBEVEIBWOHQ-MRXNPFEDSA-N 2 0 340.471 3.265 20 0 EGADRP Cc1ccc(CN(CC[NH3+])Cc2ccccc2)c(-c2cnn(C)c2)c1 ZINC000261650287 455921097 /nfs/dbraw/zinc/92/10/97/455921097.db2.gz AYAZCFJLKFCCIY-UHFFFAOYSA-N 2 0 334.467 3.356 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261669524 455924969 /nfs/dbraw/zinc/92/49/69/455924969.db2.gz GGFYWJORARIRBG-GOSISDBHSA-N 2 0 331.485 3.380 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000261698037 455929941 /nfs/dbraw/zinc/92/99/41/455929941.db2.gz CSLOXLKTYLRSTL-INIZCTEOSA-N 2 0 347.503 3.111 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)c1 ZINC000261721021 455935048 /nfs/dbraw/zinc/93/50/48/455935048.db2.gz JOZYDIRPBMOQJW-XLIONFOSSA-N 2 0 338.455 3.190 20 0 EGADRP Cc1nn(C)c(C)c1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272441443 455951698 /nfs/dbraw/zinc/95/16/98/455951698.db2.gz ISHQARVRKNPJFZ-BEFAXECRSA-N 2 0 326.488 3.037 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CNCc1ncc(C)s1 ZINC000296520687 455961986 /nfs/dbraw/zinc/96/19/86/455961986.db2.gz RZSYFAXHCUVXSM-UHFFFAOYSA-N 2 0 333.501 3.462 20 0 EGADRP C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272576579 456000263 /nfs/dbraw/zinc/00/02/63/456000263.db2.gz VTOFJZDOAWJIBX-TYPHKJRUSA-N 2 0 346.515 3.072 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CCC2)c1 ZINC000262173104 456007084 /nfs/dbraw/zinc/00/70/84/456007084.db2.gz VKWCLSDSYHEVSD-IHPCNDPISA-N 2 0 344.499 3.051 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CCC2)c1 ZINC000262173109 456008184 /nfs/dbraw/zinc/00/81/84/456008184.db2.gz VKWCLSDSYHEVSD-YSIASYRMSA-N 2 0 344.499 3.051 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262304160 456022616 /nfs/dbraw/zinc/02/26/16/456022616.db2.gz RARVIZCHMQHGHH-UWVAXJGDSA-N 2 0 343.515 3.052 20 0 EGADRP CN1CC[C@H](C[NH2+]C2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286349711 456030066 /nfs/dbraw/zinc/03/00/66/456030066.db2.gz ZEQFPAQKXGKDAK-SEVFCGSRSA-N 2 0 340.870 3.365 20 0 EGADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000286358578 456031869 /nfs/dbraw/zinc/03/18/69/456031869.db2.gz ZBOBJEAHNQPOGO-AHJNKEMKSA-N 2 0 340.511 3.204 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000272848215 456089349 /nfs/dbraw/zinc/08/93/49/456089349.db2.gz ZNGOZPFWCRSPKI-HXUWFJFHSA-N 2 0 335.451 3.024 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000280996607 456104698 /nfs/dbraw/zinc/10/46/98/456104698.db2.gz NHYYLHOAFJZUCY-KEYYUXOJSA-N 2 0 344.421 3.489 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000263240578 456115121 /nfs/dbraw/zinc/11/51/21/456115121.db2.gz GBDXSICTTUVZCT-AQNXPRMDSA-N 2 0 343.515 3.064 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)c2cccs2)CC1 ZINC000236661988 456165507 /nfs/dbraw/zinc/16/55/07/456165507.db2.gz GEGLEPJRDRWPLY-VQIMIIECSA-N 2 0 349.544 3.027 20 0 EGADRP CC1CC[NH+](CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236696247 456171858 /nfs/dbraw/zinc/17/18/58/456171858.db2.gz QZNOJVSJLFCSKM-IBGZPJMESA-N 2 0 331.504 3.095 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236712676 456172438 /nfs/dbraw/zinc/17/24/38/456172438.db2.gz RXOLULCQNSJTPL-HXUWFJFHSA-N 2 0 345.531 3.341 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236805085 456186492 /nfs/dbraw/zinc/18/64/92/456186492.db2.gz HRXQCQYYGBGPOO-JKSUJKDBSA-N 2 0 337.533 3.155 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000297330101 456186829 /nfs/dbraw/zinc/18/68/29/456186829.db2.gz CUGMJMLFRUVUFZ-PKOFMYQESA-N 2 0 348.556 3.396 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000236928353 456202620 /nfs/dbraw/zinc/20/26/20/456202620.db2.gz RAQKYNKNYOQEKB-AEFFLSMTSA-N 2 0 331.504 3.493 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000236939531 456205647 /nfs/dbraw/zinc/20/56/47/456205647.db2.gz PMHQOBBFNVEBLC-HXUWFJFHSA-N 2 0 337.467 3.181 20 0 EGADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000290035010 456221889 /nfs/dbraw/zinc/22/18/89/456221889.db2.gz SDDQOAPIPNHIDV-LSDHHAIUSA-N 2 0 326.444 3.089 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000237040076 456223217 /nfs/dbraw/zinc/22/32/17/456223217.db2.gz PEKKZFRMZVKUOL-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000237077686 456229249 /nfs/dbraw/zinc/22/92/49/456229249.db2.gz BRPQMCWPNLCXNG-RRQGHBQHSA-N 2 0 339.911 3.213 20 0 EGADRP CCOc1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc(Cl)c1O ZINC000297486230 456233120 /nfs/dbraw/zinc/23/31/20/456233120.db2.gz SSWIMKBJFXSNCB-SFHVURJKSA-N 2 0 338.879 3.362 20 0 EGADRP Cc1cc(-c2noc([C@H](C)N3CCC[C@@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723186 456254735 /nfs/dbraw/zinc/25/47/35/456254735.db2.gz UZIXZJDRJXWASY-LIRRHRJNSA-N 2 0 344.434 3.321 20 0 EGADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000290193537 456263885 /nfs/dbraw/zinc/26/38/85/456263885.db2.gz ONNRTYQLJWXOSQ-RTBURBONSA-N 2 0 329.488 3.245 20 0 EGADRP CCc1cc(NC[C@@H](c2cccc(C)c2)N2CCOCC2)nc(C)n1 ZINC000302054941 456276938 /nfs/dbraw/zinc/27/69/38/456276938.db2.gz QDBAMQWEYFHRPC-IBGZPJMESA-N 2 0 340.471 3.141 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000302062427 456278115 /nfs/dbraw/zinc/27/81/15/456278115.db2.gz VXELNRGQOYBILH-HHARLNAUSA-N 2 0 339.524 3.093 20 0 EGADRP CCOC(=O)CCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000347680261 456302540 /nfs/dbraw/zinc/30/25/40/456302540.db2.gz ALAHUDUKUIWSNX-UHFFFAOYSA-N 2 0 341.455 3.090 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000342913825 456310006 /nfs/dbraw/zinc/31/00/06/456310006.db2.gz LCCCTHGZVZHKIC-FQEVSTJZSA-N 2 0 339.483 3.057 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1CCn2ccnc21 ZINC000297853889 456309950 /nfs/dbraw/zinc/30/99/50/456309950.db2.gz SZYBOANZAQHRMR-LJQANCHMSA-N 2 0 336.439 3.343 20 0 EGADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440833 456327564 /nfs/dbraw/zinc/32/75/64/456327564.db2.gz LVFKNWDYKGFRCI-AEFFLSMTSA-N 2 0 330.472 3.248 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824811 456340489 /nfs/dbraw/zinc/34/04/89/456340489.db2.gz NGOBKBJSLYUARB-VXKWHMMOSA-N 2 0 341.543 3.459 20 0 EGADRP Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000343055554 456376810 /nfs/dbraw/zinc/37/68/10/456376810.db2.gz ADXXYEXYILQFJE-ZWKOTPCHSA-N 2 0 345.874 3.414 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298229733 456398256 /nfs/dbraw/zinc/39/82/56/456398256.db2.gz BDJLJMWLEUMTNG-HDICACEKSA-N 3 0 330.520 3.008 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncnc(N)c2Cl)CC1 ZINC000302883710 456426170 /nfs/dbraw/zinc/42/61/70/456426170.db2.gz JSIOEXBGFRNMDS-ZDUSSCGKSA-N 2 0 337.899 3.193 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1(C)C ZINC000282152497 456426782 /nfs/dbraw/zinc/42/67/82/456426782.db2.gz CUUIXJDTFWPLEE-GOSISDBHSA-N 2 0 343.515 3.049 20 0 EGADRP Cc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000340401085 456438793 /nfs/dbraw/zinc/43/87/93/456438793.db2.gz RGJZRQGAMFKVRC-FQEVSTJZSA-N 2 0 327.472 3.056 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000343167867 456447821 /nfs/dbraw/zinc/44/78/21/456447821.db2.gz QIRHATORUHZCGT-UXHICEINSA-N 2 0 341.499 3.029 20 0 EGADRP C[NH+](C)CCc1ccc(CNc2cc(N3CCCCC3)ncn2)cc1 ZINC000276371805 456460255 /nfs/dbraw/zinc/46/02/55/456460255.db2.gz XKWVWVWVTCYKHO-UHFFFAOYSA-N 2 0 339.487 3.183 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@@H]3CCCC34CCOCC4)CC2)cc[nH+]1 ZINC000282291207 456467609 /nfs/dbraw/zinc/46/76/09/456467609.db2.gz SEJZBRMRZJXMBH-LJQANCHMSA-N 2 0 329.488 3.237 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340472177 456479824 /nfs/dbraw/zinc/47/98/24/456479824.db2.gz CQGSIKCLVSNUEG-YLJYHZDGSA-N 2 0 334.504 3.454 20 0 EGADRP Cc1ccccc1O[C@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298555197 456489291 /nfs/dbraw/zinc/48/92/91/456489291.db2.gz VFJFFVDIUYGGOO-QGZVFWFLSA-N 2 0 325.456 3.416 20 0 EGADRP Oc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282433449 456512045 /nfs/dbraw/zinc/51/20/45/456512045.db2.gz FKRDKXBVHHCHSU-OAHLLOKOSA-N 2 0 329.419 3.444 20 0 EGADRP c1cc2cc(CC[NH2+]C3CCN(Cc4ccccn4)CC3)ccc2[nH]1 ZINC000282445719 456515895 /nfs/dbraw/zinc/51/58/95/456515895.db2.gz USVMQZWUEOOMGD-UHFFFAOYSA-N 2 0 334.467 3.360 20 0 EGADRP CO[C@@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000291089349 456524995 /nfs/dbraw/zinc/52/49/95/456524995.db2.gz WYFJLGXIVCHJKB-NRFANRHFSA-N 2 0 345.531 3.122 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1(C)C ZINC000282498955 456532966 /nfs/dbraw/zinc/53/29/66/456532966.db2.gz YAELPRAJJNNSMI-RBUKOAKNSA-N 2 0 333.495 3.077 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353201692 456555350 /nfs/dbraw/zinc/55/53/50/456555350.db2.gz HRYLXGXCKHACIS-PZJWPPBQSA-N 2 0 343.515 3.019 20 0 EGADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000340600299 456561191 /nfs/dbraw/zinc/56/11/91/456561191.db2.gz KIYLXVMTIHQILG-QGZVFWFLSA-N 2 0 331.504 3.376 20 0 EGADRP COc1cc2[nH+]ccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1OC ZINC000298981900 456579742 /nfs/dbraw/zinc/57/97/42/456579742.db2.gz RBIKJNPNZDEJQZ-YIONKMFJSA-N 2 0 341.455 3.313 20 0 EGADRP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000311716883 456590784 /nfs/dbraw/zinc/59/07/84/456590784.db2.gz OTMVFXXFQNDONT-TXEJJXNPSA-N 2 0 327.241 3.020 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000276891818 456611691 /nfs/dbraw/zinc/61/16/91/456611691.db2.gz MJRPDGXMCJBAGJ-INIZCTEOSA-N 2 0 345.487 3.416 20 0 EGADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322847067 456651078 /nfs/dbraw/zinc/65/10/78/456651078.db2.gz NIQMCPLQXQZNCR-XYTVBORESA-N 2 0 339.524 3.285 20 0 EGADRP CC(C)[N@H+](C)CC1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000324677030 456672585 /nfs/dbraw/zinc/67/25/85/456672585.db2.gz PVZWCPWQLYTEJN-IBGZPJMESA-N 2 0 331.504 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000338163883 456677869 /nfs/dbraw/zinc/67/78/69/456677869.db2.gz VWAZZDFHSCFLKQ-QZTJIDSGSA-N 2 0 345.531 3.379 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000353457548 456700066 /nfs/dbraw/zinc/70/00/66/456700066.db2.gz HEOLELUDSXFEMX-YESZJQIVSA-N 2 0 349.544 3.025 20 0 EGADRP CCOc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000338217037 456712287 /nfs/dbraw/zinc/71/22/87/456712287.db2.gz OWUUWQYHJUYMBA-UHFFFAOYSA-N 2 0 332.488 3.020 20 0 EGADRP CC(C)Cc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000353516737 456729855 /nfs/dbraw/zinc/72/98/55/456729855.db2.gz JMCDGQGZGBQNTG-PXNSSMCTSA-N 2 0 345.531 3.123 20 0 EGADRP CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]C1CCC(O)CC1 ZINC000353524202 456735359 /nfs/dbraw/zinc/73/53/59/456735359.db2.gz ZWJQZNYYCMFDAD-SOAGJPPSSA-N 2 0 330.516 3.353 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000277240190 456738987 /nfs/dbraw/zinc/73/89/87/456738987.db2.gz MZQOHTJIPBSPCY-QUCCMNQESA-N 2 0 348.556 3.263 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543243 456747342 /nfs/dbraw/zinc/74/73/42/456747342.db2.gz AZVLUJYRLNUFNF-AEFFLSMTSA-N 2 0 332.488 3.218 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000343632402 456759850 /nfs/dbraw/zinc/75/98/50/456759850.db2.gz AHFYSSVRTFPANH-FGTMMUONSA-N 2 0 343.515 3.201 20 0 EGADRP CN(CCC[N@H+](C)Cc1ccccc1C(F)(F)F)CC[NH+](C)C ZINC000344029950 456789959 /nfs/dbraw/zinc/78/99/59/456789959.db2.gz BEHOZLRYQWSSRX-UHFFFAOYSA-N 2 0 331.426 3.021 20 0 EGADRP c1cc2c(cc1C[NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCC2 ZINC000291903498 456793650 /nfs/dbraw/zinc/79/36/50/456793650.db2.gz JKBLIIPKCCJCID-GOSISDBHSA-N 2 0 328.500 3.156 20 0 EGADRP CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000341276407 456829682 /nfs/dbraw/zinc/82/96/82/456829682.db2.gz ZUVMDECGQUWSDW-GHTZIAJQSA-N 2 0 345.531 3.122 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341380968 456862309 /nfs/dbraw/zinc/86/23/09/456862309.db2.gz QACDYARMEKKLHC-GMGZGELVSA-N 2 0 348.453 3.323 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000292196522 456881350 /nfs/dbraw/zinc/88/13/50/456881350.db2.gz XWVFTLQZQRTIQA-YLJYHZDGSA-N 2 0 343.515 3.209 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000292196517 456881593 /nfs/dbraw/zinc/88/15/93/456881593.db2.gz XWVFTLQZQRTIQA-PXNSSMCTSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000353740158 456882176 /nfs/dbraw/zinc/88/21/76/456882176.db2.gz CESLAOZULUEIOJ-IBGZPJMESA-N 2 0 331.504 3.273 20 0 EGADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)C(C)C)CC2)cc1 ZINC000338973441 456883795 /nfs/dbraw/zinc/88/37/95/456883795.db2.gz KHWBRNIAFMXCEX-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765976 456896608 /nfs/dbraw/zinc/89/66/08/456896608.db2.gz FRLVNKRXXOPFPA-JXFKEZNVSA-N 2 0 326.488 3.485 20 0 EGADRP C[NH+](C)CCOCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000349270086 456927742 /nfs/dbraw/zinc/92/77/42/456927742.db2.gz WNLPXBWHIAIJQZ-UHFFFAOYSA-N 2 0 338.398 3.109 20 0 EGADRP CCCOc1cccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000349276889 456929356 /nfs/dbraw/zinc/92/93/56/456929356.db2.gz KOGCHKNNGDQENT-GOSISDBHSA-N 2 0 345.531 3.076 20 0 EGADRP C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000353885973 456950851 /nfs/dbraw/zinc/95/08/51/456950851.db2.gz UZVCCEQWCVKWMU-HNAYVOBHSA-N 2 0 342.487 3.162 20 0 EGADRP CC[NH+]1CCC([NH2+]CCCc2cn(-c3ccccc3)nc2C)CC1 ZINC000341806267 456952301 /nfs/dbraw/zinc/95/23/01/456952301.db2.gz MBRGGFFVJTWXFS-UHFFFAOYSA-N 2 0 326.488 3.187 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000353906973 456960989 /nfs/dbraw/zinc/96/09/89/456960989.db2.gz PYDPTDDQDUSHLR-QUCCMNQESA-N 2 0 345.531 3.230 20 0 EGADRP Cc1ccc(CCC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000353943993 456975069 /nfs/dbraw/zinc/97/50/69/456975069.db2.gz ISVOUFBTQZBEMZ-UHFFFAOYSA-N 2 0 327.472 3.053 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000362648956 457025081 /nfs/dbraw/zinc/02/50/81/457025081.db2.gz DLJSTBASAMFSIU-QGZVFWFLSA-N 2 0 345.535 3.019 20 0 EGADRP CCc1nocc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000339338049 457058274 /nfs/dbraw/zinc/05/82/74/457058274.db2.gz JDKRAFPHPLJPLY-UHFFFAOYSA-N 2 0 343.471 3.044 20 0 EGADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000359206365 457063526 /nfs/dbraw/zinc/06/35/26/457063526.db2.gz HOPCPLJVNACOPX-DLBZAZTESA-N 2 0 343.298 3.273 20 0 EGADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288807 457071735 /nfs/dbraw/zinc/07/17/35/457071735.db2.gz NHSBWEGOSYJICP-SCLBCKFNSA-N 2 0 329.444 3.304 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000356603742 457079336 /nfs/dbraw/zinc/07/93/36/457079336.db2.gz SGIXEHUUWGRDEM-AZUAARDMSA-N 2 0 345.531 3.135 20 0 EGADRP CCOc1c(C[NH+]2CCC(CC[NH2+]C)CC2)c(C)nn1CC(C)C ZINC000346649037 457091884 /nfs/dbraw/zinc/09/18/84/457091884.db2.gz GIRBBRDUEHMLNU-UHFFFAOYSA-N 2 0 336.524 3.068 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346692886 457114869 /nfs/dbraw/zinc/11/48/69/457114869.db2.gz JOEUTBUBWABJPZ-HNAYVOBHSA-N 2 0 326.488 3.026 20 0 EGADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(C)c1OC ZINC000342134573 457128433 /nfs/dbraw/zinc/12/84/33/457128433.db2.gz ZDBSLZWNYAZYHA-UHFFFAOYSA-N 2 0 328.456 3.364 20 0 EGADRP CCN(C)c1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000359956235 457170619 /nfs/dbraw/zinc/17/06/19/457170619.db2.gz CGQWUMJCNIGKLH-ROUUACIJSA-N 2 0 332.536 3.385 20 0 EGADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000354323247 457185181 /nfs/dbraw/zinc/18/51/81/457185181.db2.gz BGKWVUADICWPDD-YQVWRLOYSA-N 2 0 330.520 3.138 20 0 EGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000356894403 457204371 /nfs/dbraw/zinc/20/43/71/457204371.db2.gz NOQXPUIUIQMQIO-QFBILLFUSA-N 2 0 334.467 3.455 20 0 EGADRP CCOc1cccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1OC(F)F ZINC000347114105 457236455 /nfs/dbraw/zinc/23/64/55/457236455.db2.gz SDFDKUWSCQYLDF-LBPRGKRZSA-N 2 0 328.403 3.246 20 0 EGADRP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000354477124 457247992 /nfs/dbraw/zinc/24/79/92/457247992.db2.gz JQFWABUNLSWHNB-PKOBYXMFSA-N 2 0 331.504 3.011 20 0 EGADRP CC(C)N1CCC[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000357008157 457273799 /nfs/dbraw/zinc/27/37/99/457273799.db2.gz DXCNTEDSBPWXGX-QUCCMNQESA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000339802933 457278461 /nfs/dbraw/zinc/27/84/61/457278461.db2.gz IGMZDKPEGFGXPQ-QGZVFWFLSA-N 2 0 331.504 3.133 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347205577 457287736 /nfs/dbraw/zinc/28/77/36/457287736.db2.gz LUGHMOQFZVOYDR-HNAYVOBHSA-N 2 0 326.488 3.107 20 0 EGADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]12 ZINC000351472523 457297935 /nfs/dbraw/zinc/29/79/35/457297935.db2.gz AZSJTNLQJYMURE-MISYRCLQSA-N 2 0 335.451 3.108 20 0 EGADRP CC(C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354658325 457302404 /nfs/dbraw/zinc/30/24/04/457302404.db2.gz QRFHXNRTXNENFN-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)CC1)CC1CC1 ZINC000357086457 457313981 /nfs/dbraw/zinc/31/39/81/457313981.db2.gz OQFHZSGQSYUPGU-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000357109158 457327226 /nfs/dbraw/zinc/32/72/26/457327226.db2.gz HLDVHDYCQCCIDC-ZSYWTGECSA-N 2 0 337.552 3.120 20 0 EGADRP C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000369765214 457388675 /nfs/dbraw/zinc/38/86/75/457388675.db2.gz ZJOQVGZOJDZFAF-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000390721201 457440791 /nfs/dbraw/zinc/44/07/91/457440791.db2.gz FPXJDMGPDJLJES-KGLIPLIRSA-N 2 0 327.513 3.141 20 0 EGADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000342694511 457460810 /nfs/dbraw/zinc/46/08/10/457460810.db2.gz NXDQHLAJGUNNRO-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cn1 ZINC000352554588 457462785 /nfs/dbraw/zinc/46/27/85/457462785.db2.gz HFRGOMVCDRRURD-GOSISDBHSA-N 2 0 331.435 3.402 20 0 EGADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000347509816 457475193 /nfs/dbraw/zinc/47/51/93/457475193.db2.gz WTZCSJFVOQKJOZ-UHFFFAOYSA-N 2 0 341.499 3.018 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000360988598 457492961 /nfs/dbraw/zinc/49/29/61/457492961.db2.gz ZNUWQPDTEHTOSS-UHFFFAOYSA-N 2 0 344.547 3.018 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC000342749708 457498506 /nfs/dbraw/zinc/49/85/06/457498506.db2.gz ZUCMILVCKRBJKM-RLLQIKCJSA-N 2 0 343.515 3.155 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000356165343 457500660 /nfs/dbraw/zinc/50/06/60/457500660.db2.gz HRYWAEHPWWOHEL-PMACEKPBSA-N 2 0 343.515 3.030 20 0 EGADRP CSc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000356186579 457516384 /nfs/dbraw/zinc/51/63/84/457516384.db2.gz BBBXCLIJWBNUSF-UHFFFAOYSA-N 2 0 340.558 3.404 20 0 EGADRP Cc1cccnc1CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404970072 457550289 /nfs/dbraw/zinc/55/02/89/457550289.db2.gz KROHYBDPQUMFKI-JAXLGGSGSA-N 2 0 335.495 3.433 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000370306221 457615336 /nfs/dbraw/zinc/61/53/36/457615336.db2.gz UCXLSFRIRMGLFK-HKBOAZHASA-N 2 0 330.516 3.346 20 0 EGADRP FC(F)(F)c1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000357844598 457709514 /nfs/dbraw/zinc/70/95/14/457709514.db2.gz GDMYVCQRIJSPSF-GJZGRUSLSA-N 2 0 343.393 3.086 20 0 EGADRP Cc1ccc(C)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000375235930 457843009 /nfs/dbraw/zinc/84/30/09/457843009.db2.gz DAUDDYYTCOGCRW-UHFFFAOYSA-N 2 0 329.532 3.153 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000411365315 457863943 /nfs/dbraw/zinc/86/39/43/457863943.db2.gz CMQDIAOMXVXTME-OAQYLSRUSA-N 2 0 343.515 3.108 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231518 457874587 /nfs/dbraw/zinc/87/45/87/457874587.db2.gz TWDBREZTGCEGKY-HMXCVIKNSA-N 2 0 329.532 3.361 20 0 EGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(C)cc1 ZINC000411438135 457888675 /nfs/dbraw/zinc/88/86/75/457888675.db2.gz MMJLIESPSLRAEG-LJQANCHMSA-N 2 0 331.504 3.025 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@@H]1C ZINC000361836534 457897643 /nfs/dbraw/zinc/89/76/43/457897643.db2.gz GGLKSIZREJXTRE-HKUYNNGSSA-N 2 0 326.488 3.485 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000371392159 457905362 /nfs/dbraw/zinc/90/53/62/457905362.db2.gz KXEHNQGCWKZLPF-UHFFFAOYSA-N 2 0 334.414 3.129 20 0 EGADRP Cc1ccc([C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000371402422 457910326 /nfs/dbraw/zinc/91/03/26/457910326.db2.gz XIGGRRUWISVVCN-CTNGQTDRSA-N 2 0 327.516 3.204 20 0 EGADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)CC1 ZINC000358300031 457920743 /nfs/dbraw/zinc/92/07/43/457920743.db2.gz NGXXIMZJXHWKHV-GOSISDBHSA-N 2 0 336.520 3.101 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000367030343 457920964 /nfs/dbraw/zinc/92/09/64/457920964.db2.gz QDICERZQCGGINB-NQIIRXRSSA-N 2 0 329.532 3.268 20 0 EGADRP Cc1nc2ccccn2c1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434013380 457930901 /nfs/dbraw/zinc/93/09/01/457930901.db2.gz TXOPHBPYHAXNAT-RXVVDRJESA-N 2 0 349.482 3.163 20 0 EGADRP CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000434015343 457931621 /nfs/dbraw/zinc/93/16/21/457931621.db2.gz ZKIRXVIJKWCIFD-FXAWDEMLSA-N 2 0 341.503 3.029 20 0 EGADRP CCN1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)[C@@H](C)C1 ZINC000358332362 457938426 /nfs/dbraw/zinc/93/84/26/457938426.db2.gz VZSTWZWPJGUYEG-BBRMVZONSA-N 2 0 330.394 3.195 20 0 EGADRP OCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCSC1 ZINC000411664893 457943350 /nfs/dbraw/zinc/94/33/50/457943350.db2.gz JMLVBZULLJIUBJ-FQEVSTJZSA-N 2 0 348.556 3.362 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(C)(C)c3ccccc3)C2)CC1 ZINC000367751846 457979464 /nfs/dbraw/zinc/97/94/64/457979464.db2.gz VAPDEXPRWBFIIF-HXUWFJFHSA-N 2 0 329.532 3.065 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000362025924 458012186 /nfs/dbraw/zinc/01/21/86/458012186.db2.gz LNSDLAACHJCLPD-QAPCUYQASA-N 2 0 332.492 3.085 20 0 EGADRP CCCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000375740162 458044164 /nfs/dbraw/zinc/04/41/64/458044164.db2.gz DLCFXHOGJYEKDL-UDFCRJRASA-N 2 0 335.536 3.019 20 0 EGADRP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1F ZINC000358505593 458044848 /nfs/dbraw/zinc/04/48/48/458044848.db2.gz KITBUJRQRNKSQA-CQSZACIVSA-N 2 0 344.434 3.321 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358517180 458051568 /nfs/dbraw/zinc/05/15/68/458051568.db2.gz PLQDBPXJAPOAOU-OAHLLOKOSA-N 2 0 349.906 3.359 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000375812907 458077056 /nfs/dbraw/zinc/07/70/56/458077056.db2.gz YNJSXHWZXZOXMO-GPJFCIFZSA-N 2 0 338.499 3.300 20 0 EGADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000435372470 458121794 /nfs/dbraw/zinc/12/17/94/458121794.db2.gz JPXDNKXCIILIID-HOTGVXAUSA-N 2 0 326.488 3.339 20 0 EGADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373767 458124345 /nfs/dbraw/zinc/12/43/45/458124345.db2.gz FTYHTXMTJQFEFQ-JSGCOSHPSA-N 2 0 338.377 3.060 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435377140 458126607 /nfs/dbraw/zinc/12/66/07/458126607.db2.gz YJTFVKZOHZZINK-FUHWJXTLSA-N 2 0 347.466 3.103 20 0 EGADRP COc1cc(CN2CC[C@@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435380969 458127993 /nfs/dbraw/zinc/12/79/93/458127993.db2.gz QWMWPWLWZRDXCI-HNNXBMFYSA-N 2 0 332.469 3.116 20 0 EGADRP CC(C)O[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000428366808 458128095 /nfs/dbraw/zinc/12/80/95/458128095.db2.gz ZSJWIZZIVPSMRL-DOIPELPJSA-N 2 0 346.515 3.336 20 0 EGADRP CC[NH2+]CC1CC[NH+](Cc2cccc(Br)c2OC)CC1 ZINC000435381220 458128657 /nfs/dbraw/zinc/12/86/57/458128657.db2.gz VKYWERHSIBFVNX-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412295989 458158262 /nfs/dbraw/zinc/15/82/62/458158262.db2.gz BGGFIYUZXNAJBW-FQEVSTJZSA-N 2 0 343.515 3.229 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000358700743 458158574 /nfs/dbraw/zinc/15/85/74/458158574.db2.gz XKMVDUBJBFMAMO-MJGOQNOKSA-N 2 0 343.515 3.288 20 0 EGADRP Fc1cccc(OCCN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435623683 458174488 /nfs/dbraw/zinc/17/44/88/458174488.db2.gz CXXYBBYEVZMXJX-LJQANCHMSA-N 2 0 343.446 3.244 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1)CC(C)C ZINC000358739975 458183634 /nfs/dbraw/zinc/18/36/34/458183634.db2.gz GNRLSFRRTYONHS-SFHVURJKSA-N 2 0 339.568 3.322 20 0 EGADRP c1csc(N2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)n1 ZINC000358787522 458217147 /nfs/dbraw/zinc/21/71/47/458217147.db2.gz MJDIHVXKQVZJFT-UHFFFAOYSA-N 2 0 334.533 3.109 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1C ZINC000446885377 458242081 /nfs/dbraw/zinc/24/20/81/458242081.db2.gz WCCJXLCZXUDTLG-INIZCTEOSA-N 2 0 343.515 3.485 20 0 EGADRP Fc1ccc(Cn2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000446890318 458242437 /nfs/dbraw/zinc/24/24/37/458242437.db2.gz JFSYXCIKOINCPT-UHFFFAOYSA-N 2 0 342.462 3.035 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436290498 458283870 /nfs/dbraw/zinc/28/38/70/458283870.db2.gz ZEBQSBNCHKMTCB-WIYYLYMNSA-N 2 0 341.499 3.391 20 0 EGADRP Cc1cc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000447532120 458306495 /nfs/dbraw/zinc/30/64/95/458306495.db2.gz SEGXIKQRIJROIM-QGZVFWFLSA-N 2 0 342.487 3.154 20 0 EGADRP C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000447569235 458313817 /nfs/dbraw/zinc/31/38/17/458313817.db2.gz OHPJHHAIBWYMIQ-GOSISDBHSA-N 2 0 347.547 3.400 20 0 EGADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCOCC[NH+](C)C)cc1F ZINC000447601472 458320472 /nfs/dbraw/zinc/32/04/72/458320472.db2.gz PIGZUQIAAGQYHN-FUHWJXTLSA-N 2 0 338.467 3.028 20 0 EGADRP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000459299712 458321461 /nfs/dbraw/zinc/32/14/61/458321461.db2.gz LFIYWKPFCHWJSM-UHFFFAOYSA-N 2 0 332.517 3.355 20 0 EGADRP CCOc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1OC ZINC000369723434 458327383 /nfs/dbraw/zinc/32/73/83/458327383.db2.gz WTODELYDRYUIIS-UHFFFAOYSA-N 2 0 332.488 3.402 20 0 EGADRP FC1(F)CCC(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000459330001 458332106 /nfs/dbraw/zinc/33/21/06/458332106.db2.gz SIICVCGIJVAHBL-UHFFFAOYSA-N 2 0 330.463 3.246 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000459350408 458339808 /nfs/dbraw/zinc/33/98/08/458339808.db2.gz YRBZQMWZQFFNPI-UTKZUKDTSA-N 2 0 327.516 3.022 20 0 EGADRP CC(C)[C@H](CNC1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000459394434 458356680 /nfs/dbraw/zinc/35/66/80/458356680.db2.gz UAERVBLRCPOFRK-QFIPXVFZSA-N 2 0 341.543 3.286 20 0 EGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)[C@H]1SC ZINC000459424096 458366636 /nfs/dbraw/zinc/36/66/36/458366636.db2.gz KUBGMYNKGXIMCN-XIKSMUEASA-N 2 0 348.556 3.396 20 0 EGADRP Clc1cccc2c1[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000459563220 458411199 /nfs/dbraw/zinc/41/11/99/458411199.db2.gz CAWSFUOQKKZZEP-INIZCTEOSA-N 2 0 329.831 3.427 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000430229734 458425821 /nfs/dbraw/zinc/42/58/21/458425821.db2.gz YPMZLHAIZHPCEV-GCJKJVERSA-N 2 0 341.543 3.023 20 0 EGADRP Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000423434402 458432750 /nfs/dbraw/zinc/43/27/50/458432750.db2.gz XXLQBOQYSDHVAV-BPUTZDHNSA-N 2 0 345.466 3.131 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423438186 458433356 /nfs/dbraw/zinc/43/33/56/458433356.db2.gz MTBAQCLIBBNSBG-FASAQXTFSA-N 2 0 342.487 3.009 20 0 EGADRP COc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OC(F)F ZINC000423439387 458433373 /nfs/dbraw/zinc/43/33/73/458433373.db2.gz NSIBPFBENLBCTG-BYCMXARLSA-N 2 0 340.414 3.335 20 0 EGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423451583 458434734 /nfs/dbraw/zinc/43/47/34/458434734.db2.gz YHCGRRHFZXSWLV-DFEHZGFQSA-N 2 0 332.488 3.174 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423456775 458435760 /nfs/dbraw/zinc/43/57/60/458435760.db2.gz HCGMYNFVWWGBET-ZMSDIMECSA-N 2 0 332.492 3.385 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCc2nccn2C)cc1 ZINC000423464248 458436673 /nfs/dbraw/zinc/43/66/73/458436673.db2.gz QNDVRQRMHBRREH-LZLYRXPVSA-N 2 0 342.487 3.167 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C12CCC2 ZINC000423473148 458438436 /nfs/dbraw/zinc/43/84/36/458438436.db2.gz NSKFBVDARBRFRK-MTFMMBMASA-N 2 0 346.490 3.456 20 0 EGADRP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000423493087 458442807 /nfs/dbraw/zinc/44/28/07/458442807.db2.gz PMCPAAKECXQFTM-IKGGRYGDSA-N 2 0 342.405 3.310 20 0 EGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423505532 458445699 /nfs/dbraw/zinc/44/56/99/458445699.db2.gz LVPBIZYADOQQSI-XDWAVFMPSA-N 3 0 327.516 3.004 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430557768 458460849 /nfs/dbraw/zinc/46/08/49/458460849.db2.gz XBQKGFLVZZEGKO-CHWSQXEVSA-N 2 0 332.366 3.023 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000430566915 458462623 /nfs/dbraw/zinc/46/26/23/458462623.db2.gz DXJXDBVJZZRAGF-UHFFFAOYSA-N 2 0 342.483 3.439 20 0 EGADRP C[NH2+]C[C@H]1CCCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619185 458471554 /nfs/dbraw/zinc/47/15/54/458471554.db2.gz ZQSMXLSUJCOGRZ-QWHCGFSZSA-N 2 0 334.851 3.382 20 0 EGADRP C[NH2+]C[C@@H]1CCCN(CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430621676 458471602 /nfs/dbraw/zinc/47/16/02/458471602.db2.gz CWZVXEMDELZRFA-SFHVURJKSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C)C[C@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000430638132 458474393 /nfs/dbraw/zinc/47/43/93/458474393.db2.gz MQGZKYGARYIBBA-SFHVURJKSA-N 2 0 349.494 3.090 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423744344 458477359 /nfs/dbraw/zinc/47/73/59/458477359.db2.gz NWAGAFPABSTFDV-UYAOXDASSA-N 2 0 331.504 3.004 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000430772802 458490581 /nfs/dbraw/zinc/49/05/81/458490581.db2.gz NKEYARGRIULWLC-BTHPGYMESA-N 2 0 345.531 3.339 20 0 EGADRP COc1c(Br)cccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430915261 458503942 /nfs/dbraw/zinc/50/39/42/458503942.db2.gz PBYUFRKBHXUMCK-UHFFFAOYSA-N 2 0 339.277 3.033 20 0 EGADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000430918442 458505174 /nfs/dbraw/zinc/50/51/74/458505174.db2.gz MWFJTVXZPUYTQB-GHMZBOCLSA-N 2 0 344.286 3.380 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1nccc2ccccc21 ZINC000377742136 458513510 /nfs/dbraw/zinc/51/35/10/458513510.db2.gz GTYQBCOUAQPRAB-WMZOPIPTSA-N 2 0 338.499 3.054 20 0 EGADRP CCc1nc2cc(CNC(=O)[C@]3(CC)CCC[NH2+]3)ccc2n1C1CC1 ZINC000423929841 458514296 /nfs/dbraw/zinc/51/42/96/458514296.db2.gz JIPVWPVZLRDRKC-FQEVSTJZSA-N 2 0 340.471 3.082 20 0 EGADRP Cc1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000468396316 458514843 /nfs/dbraw/zinc/51/48/43/458514843.db2.gz VSPPYIWGSYFGGO-LPHOPBHVSA-N 2 0 335.923 3.106 20 0 EGADRP [NH3+]C1(CNC(=O)CCC2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424042344 458544085 /nfs/dbraw/zinc/54/40/85/458544085.db2.gz WLSPUJSKXYJVBN-UHFFFAOYSA-N 2 0 343.515 3.067 20 0 EGADRP [NH3+][C@H](CCC(=O)NC[C@H]1[NH2+]CCc2ccccc21)CC1CCCCC1 ZINC000424163396 458574696 /nfs/dbraw/zinc/57/46/96/458574696.db2.gz DRKVUOPVTJNJAS-UYAOXDASSA-N 2 0 343.515 3.068 20 0 EGADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000493969574 458607443 /nfs/dbraw/zinc/60/74/43/458607443.db2.gz OEZQGBHVXIDLRS-LAUBAEHRSA-N 2 0 342.483 3.493 20 0 EGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431746269 458616256 /nfs/dbraw/zinc/61/62/56/458616256.db2.gz TXVODQNFSZOLPN-HLNWXESRSA-N 2 0 345.531 3.162 20 0 EGADRP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCCC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000494060948 458622384 /nfs/dbraw/zinc/62/23/84/458622384.db2.gz SBVMMEXPLRTIJD-HBFSDRIKSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(O)ccc1Br)CC[NH2+]CC2 ZINC000424369955 458625842 /nfs/dbraw/zinc/62/58/42/458625842.db2.gz BWLNKICVBFVBDW-GFCCVEGCSA-N 2 0 339.277 3.119 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(O)ccc1Br)CC[NH2+]CC2 ZINC000424369957 458626615 /nfs/dbraw/zinc/62/66/15/458626615.db2.gz BWLNKICVBFVBDW-LBPRGKRZSA-N 2 0 339.277 3.119 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456309069 458636922 /nfs/dbraw/zinc/63/69/22/458636922.db2.gz JIAKRQWJIFPYLP-KXBFYZLASA-N 2 0 329.488 3.439 20 0 EGADRP CCOc1cc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2cc1OCC ZINC000462868322 458663269 /nfs/dbraw/zinc/66/32/69/458663269.db2.gz AYLUVCZCAYGRTP-CABCVRRESA-N 2 0 343.471 3.349 20 0 EGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215221 458720207 /nfs/dbraw/zinc/72/02/07/458720207.db2.gz FMBHEFKEOOKBCC-MHJFOBGBSA-N 2 0 327.516 3.304 20 0 EGADRP OC1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCC(c2ccccc2)CC1 ZINC000530230833 458725647 /nfs/dbraw/zinc/72/56/47/458725647.db2.gz KAKVPCRLTMEQND-FQVISZRSSA-N 2 0 328.500 3.149 20 0 EGADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)CCC2 ZINC000530242384 458727868 /nfs/dbraw/zinc/72/78/68/458727868.db2.gz UEWHDKIUJHWYME-ICSRJNTNSA-N 2 0 332.463 3.294 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505553 458752397 /nfs/dbraw/zinc/75/23/97/458752397.db2.gz VZWJBEYCKBGRFG-YYWHXJBOSA-N 2 0 330.516 3.428 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472073516 458766499 /nfs/dbraw/zinc/76/64/99/458766499.db2.gz KQFCUBMZZFFIFH-UHFFFAOYSA-N 2 0 342.531 3.292 20 0 EGADRP C[N@H+](CCC(=O)NCCCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000548061002 458830749 /nfs/dbraw/zinc/83/07/49/458830749.db2.gz DVFAAYITHAYFIN-UHFFFAOYSA-N 2 0 337.552 3.413 20 0 EGADRP CCC[NH+]1CCC([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495313678 458832288 /nfs/dbraw/zinc/83/22/88/458832288.db2.gz XUNXNYOPPGQSIF-UHFFFAOYSA-N 2 0 327.513 3.096 20 0 EGADRP CC[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+](CC)CC ZINC000518253819 458851895 /nfs/dbraw/zinc/85/18/95/458851895.db2.gz NCQZXKGKNCFTBE-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCc1cccc(Cl)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000474355120 458879834 /nfs/dbraw/zinc/87/98/34/458879834.db2.gz QBFRQOMIJHAQGL-LJQANCHMSA-N 2 0 337.939 3.264 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000566716888 458987902 /nfs/dbraw/zinc/98/79/02/458987902.db2.gz OKAPXFAFBTWAJO-SFTDATJTSA-N 2 0 330.516 3.382 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000519698480 458989750 /nfs/dbraw/zinc/98/97/50/458989750.db2.gz YWLKUOIIIMXRGX-WOJBJXKFSA-N 2 0 348.531 3.287 20 0 EGADRP CN(C)C(=O)CCN1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000531971033 459009368 /nfs/dbraw/zinc/00/93/68/459009368.db2.gz QTXZGIJAWBSJLN-HXUWFJFHSA-N 2 0 343.515 3.060 20 0 EGADRP CCCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000577384917 459024797 /nfs/dbraw/zinc/02/47/97/459024797.db2.gz AQEZFCBAZYXLDG-UHFFFAOYSA-N 2 0 335.467 3.317 20 0 EGADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000577482195 459040216 /nfs/dbraw/zinc/04/02/16/459040216.db2.gz JVZZISXHDWCUQY-IAGOWNOFSA-N 2 0 334.533 3.303 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC000577528239 459046791 /nfs/dbraw/zinc/04/67/91/459046791.db2.gz GTIBVOBMJOUVMT-BRWVUGGUSA-N 2 0 339.886 3.303 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442916764 459059908 /nfs/dbraw/zinc/05/99/08/459059908.db2.gz AJLHUQQXUMBGNH-IBGZPJMESA-N 2 0 326.488 3.109 20 0 EGADRP CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999358 459064757 /nfs/dbraw/zinc/06/47/57/459064757.db2.gz BNWFXQUQPXBSEU-YLJYHZDGSA-N 2 0 345.531 3.265 20 0 EGADRP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)cc2)cn1 ZINC000567214114 459065560 /nfs/dbraw/zinc/06/55/60/459065560.db2.gz FJKPGCJWAAOYLI-YLJYHZDGSA-N 2 0 334.423 3.277 20 0 EGADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000477935308 459067643 /nfs/dbraw/zinc/06/76/43/459067643.db2.gz JFWSZEOCMGCJSI-INIZCTEOSA-N 2 0 347.503 3.124 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120495 459074684 /nfs/dbraw/zinc/07/46/84/459074684.db2.gz HLLHPSYHHCWELD-IRXDYDNUSA-N 2 0 339.524 3.098 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000532455305 459091916 /nfs/dbraw/zinc/09/19/16/459091916.db2.gz YSRYKGKQUBQUPJ-QLFBSQMISA-N 2 0 340.895 3.499 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000532505515 459102226 /nfs/dbraw/zinc/10/22/26/459102226.db2.gz LVKVDOVTYLWEIH-ZBFHGGJFSA-N 2 0 340.895 3.236 20 0 EGADRP Fc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000567639772 459138838 /nfs/dbraw/zinc/13/88/38/459138838.db2.gz VZLPWLMSCFKWTK-AZUAARDMSA-N 2 0 344.405 3.353 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000567679767 459143396 /nfs/dbraw/zinc/14/33/96/459143396.db2.gz FJCROXHTXIPVLI-LJQANCHMSA-N 2 0 348.531 3.186 20 0 EGADRP COc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c2ccccc12 ZINC000521514424 459158790 /nfs/dbraw/zinc/15/87/90/459158790.db2.gz YLHGMEYSUSJRSY-UHFFFAOYSA-N 2 0 343.515 3.164 20 0 EGADRP C[C@@H]([N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000532928068 459161536 /nfs/dbraw/zinc/16/15/36/459161536.db2.gz FYOFRGPDYWPOEU-QGZVFWFLSA-N 2 0 345.531 3.265 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477734 459164223 /nfs/dbraw/zinc/16/42/23/459164223.db2.gz HUZRNRBRYXDCIL-YADHBBJMSA-N 2 0 341.543 3.316 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496363388 459166592 /nfs/dbraw/zinc/16/65/92/459166592.db2.gz OJPIZSDTPXTLNC-SCTDSRPQSA-N 2 0 345.487 3.147 20 0 EGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000479794222 459167702 /nfs/dbraw/zinc/16/77/02/459167702.db2.gz SXZLXBBMLOVLEQ-ZWKOTPCHSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000558501306 459168478 /nfs/dbraw/zinc/16/84/78/459168478.db2.gz KZFYDCKXVGKSEQ-NSHGMRRFSA-N 2 0 332.536 3.002 20 0 EGADRP COc1cccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000480312597 459193577 /nfs/dbraw/zinc/19/35/77/459193577.db2.gz ZKFZXRLOWLKKEU-MJGOQNOKSA-N 2 0 339.483 3.481 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000558723223 459205108 /nfs/dbraw/zinc/20/51/08/459205108.db2.gz OJKNQXRCZHIRFG-FHWLQOOXSA-N 2 0 338.536 3.205 20 0 EGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480710502 459215923 /nfs/dbraw/zinc/21/59/23/459215923.db2.gz DPJPHTUWKIBMDW-MSOLQXFVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000590787005 459219855 /nfs/dbraw/zinc/21/98/55/459219855.db2.gz QKVBSBXSMDMURR-KRWDZBQOSA-N 2 0 343.515 3.016 20 0 EGADRP C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000496517544 459223892 /nfs/dbraw/zinc/22/38/92/459223892.db2.gz ZHWQBKHBVWLLTB-NVXWUHKLSA-N 2 0 331.460 3.120 20 0 EGADRP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000481009442 459228110 /nfs/dbraw/zinc/22/81/10/459228110.db2.gz BDDGBLLETVBVKE-MOPGFXCFSA-N 2 0 338.923 3.344 20 0 EGADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000481188895 459239052 /nfs/dbraw/zinc/23/90/52/459239052.db2.gz LIFTUVISZVLIQK-LJQANCHMSA-N 2 0 330.516 3.224 20 0 EGADRP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000559334927 459253358 /nfs/dbraw/zinc/25/33/58/459253358.db2.gz SGAVCLZMBPGLCN-NRFANRHFSA-N 2 0 344.543 3.472 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC[C@@H]3CCc4ccccc43)C2)CC1 ZINC000595340221 459280381 /nfs/dbraw/zinc/28/03/81/459280381.db2.gz RINZADPLCRGYKF-LEWJYISDSA-N 2 0 341.543 3.207 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000560002769 459292031 /nfs/dbraw/zinc/29/20/31/459292031.db2.gz NBBHDGUBOJXPIT-INIZCTEOSA-N 2 0 345.512 3.355 20 0 EGADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496721275 459300043 /nfs/dbraw/zinc/30/00/43/459300043.db2.gz PEUUMRWGADTUJA-HOTGVXAUSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771337 459317602 /nfs/dbraw/zinc/31/76/02/459317602.db2.gz JTHICFIUMVDQEF-HOTGVXAUSA-N 2 0 327.513 3.048 20 0 EGADRP CO[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000560285159 459319885 /nfs/dbraw/zinc/31/98/85/459319885.db2.gz FLFRKAUGFWTGRZ-HDICACEKSA-N 2 0 340.552 3.260 20 0 EGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496786841 459324625 /nfs/dbraw/zinc/32/46/25/459324625.db2.gz RNAVLVKIBHXRTG-GOEBONIOSA-N 2 0 341.540 3.198 20 0 EGADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000560343695 459326926 /nfs/dbraw/zinc/32/69/26/459326926.db2.gz UGROGMONNMZITC-VQIMIIECSA-N 2 0 345.531 3.298 20 0 EGADRP CCOc1cc(C[N@H+](C)CCC[NH3+])ccc1OCc1ccccc1 ZINC000568761995 459341798 /nfs/dbraw/zinc/34/17/98/459341798.db2.gz QAGBVFPOHHKYTP-UHFFFAOYSA-N 2 0 328.456 3.445 20 0 EGADRP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000483142430 459344258 /nfs/dbraw/zinc/34/42/58/459344258.db2.gz IDANHTBWKMVTJI-SFHVURJKSA-N 2 0 347.547 3.118 20 0 EGADRP Cc1cc(C)c([C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)c1 ZINC000560448624 459348201 /nfs/dbraw/zinc/34/82/01/459348201.db2.gz CVAYZOSWVQRSNJ-GOSISDBHSA-N 2 0 345.531 3.063 20 0 EGADRP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C)cc1 ZINC000524424509 459362348 /nfs/dbraw/zinc/36/23/48/459362348.db2.gz AMPMWSBEBVZJPS-UHFFFAOYSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000568976444 459375475 /nfs/dbraw/zinc/37/54/75/459375475.db2.gz WBGDPCJFXYLSHH-YWZLYKJASA-N 2 0 330.447 3.142 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)N1CCCC[C@H]1C ZINC000496991506 459397540 /nfs/dbraw/zinc/39/75/40/459397540.db2.gz BKAMNHMTPHWOKI-PMPSAXMXSA-N 2 0 339.524 3.094 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2ccncc2C)CC1 ZINC000569114928 459398930 /nfs/dbraw/zinc/39/89/30/459398930.db2.gz ZUPAZLOFTUGPAF-UHFFFAOYSA-N 2 0 333.520 3.003 20 0 EGADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000484150271 459407418 /nfs/dbraw/zinc/40/74/18/459407418.db2.gz VWEWXWFEVPELCE-GOSISDBHSA-N 2 0 344.524 3.387 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1 ZINC000591718539 459425134 /nfs/dbraw/zinc/42/51/34/459425134.db2.gz LNNHDPCMICHSBQ-IBGZPJMESA-N 2 0 326.440 3.110 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000582887311 459444300 /nfs/dbraw/zinc/44/43/00/459444300.db2.gz OFJIBGLIILQVMU-AYOQOUSVSA-N 2 0 336.907 3.362 20 0 EGADRP C[C@]1(NC(=O)Nc2ccn3ccnc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000569609182 459480868 /nfs/dbraw/zinc/48/08/68/459480868.db2.gz MJMJKORGPQYUNA-FQEVSTJZSA-N 2 0 349.438 3.120 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000562615784 459602832 /nfs/dbraw/zinc/60/28/32/459602832.db2.gz SQBGCCLFPNMUIA-FCGDIQPGSA-N 2 0 332.536 3.404 20 0 EGADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527229504 459612299 /nfs/dbraw/zinc/61/22/99/459612299.db2.gz FJBVZBRZOSCYET-UHFFFAOYSA-N 2 0 346.425 3.061 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000562748145 459640253 /nfs/dbraw/zinc/64/02/53/459640253.db2.gz YRBZVZXFKHPWEX-FUUYNRHESA-N 2 0 337.467 3.266 20 0 EGADRP CC[N@H+](CCC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1)CC(C)C ZINC000499600566 459641641 /nfs/dbraw/zinc/64/16/41/459641641.db2.gz OWMNZGZVNJLGJI-MRXNPFEDSA-N 2 0 338.458 3.380 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000563036067 459701601 /nfs/dbraw/zinc/70/16/01/459701601.db2.gz ALIQCGSOYNRQTA-SJLPKXTDSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000563214813 459739937 /nfs/dbraw/zinc/73/99/37/459739937.db2.gz BSGMUIKMETVVGX-BJZITVGISA-N 2 0 341.455 3.231 20 0 EGADRP CCc1ccc(-c2noc(CN3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000584529879 459762684 /nfs/dbraw/zinc/76/26/84/459762684.db2.gz CUCGSVNIZWOZQQ-SFHVURJKSA-N 2 0 340.471 3.121 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Br)cc1 ZINC000584540107 459765757 /nfs/dbraw/zinc/76/57/57/459765757.db2.gz NVNYOFXVMVZDIM-KWCYVHTRSA-N 2 0 327.266 3.076 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000574192528 459789521 /nfs/dbraw/zinc/78/95/21/459789521.db2.gz ZZDMONGVVFFOIO-VQTJNVASSA-N 2 0 348.531 3.001 20 0 EGADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000574192502 459790028 /nfs/dbraw/zinc/79/00/28/459790028.db2.gz ZZDMONGVVFFOIO-PMACEKPBSA-N 2 0 348.531 3.001 20 0 EGADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000528004666 459793040 /nfs/dbraw/zinc/79/30/40/459793040.db2.gz RQLDXRNTKZEPAA-HDMXUNIBSA-N 2 0 328.500 3.299 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc3ccsc32)CC[NH2+]CC1 ZINC000593318571 459839655 /nfs/dbraw/zinc/83/96/55/459839655.db2.gz FAAQWAUZCPIWHK-AWEZNQCLSA-N 2 0 346.496 3.312 20 0 EGADRP C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574865737 459883312 /nfs/dbraw/zinc/88/33/12/459883312.db2.gz PMVXVOZLTNMHFP-FSOQPWQOSA-N 2 0 348.453 3.465 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000575052605 459916295 /nfs/dbraw/zinc/91/62/95/459916295.db2.gz CPGFOBREMNPNTR-WMLDXEAASA-N 2 0 344.421 3.464 20 0 EGADRP C[NH2+]CCCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000575177729 459941792 /nfs/dbraw/zinc/94/17/92/459941792.db2.gz UIDHCGGPKFWHFB-UHFFFAOYSA-N 2 0 339.483 3.031 20 0 EGADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642570 459993864 /nfs/dbraw/zinc/99/38/64/459993864.db2.gz QLDMTMTVRGIBCV-LJQANCHMSA-N 2 0 345.531 3.137 20 0 EGADRP c1cnc(Oc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000575850675 460017280 /nfs/dbraw/zinc/01/72/80/460017280.db2.gz NSMWUNCMNXDDCX-HKUYNNGSSA-N 2 0 338.455 3.233 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c2ccccc21 ZINC000621752653 460049472 /nfs/dbraw/zinc/04/94/72/460049472.db2.gz BVNDVQVRBIHUTK-IEBWSBKVSA-N 2 0 331.504 3.440 20 0 EGADRP C[C@@H]1[C@H](NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576134270 460077182 /nfs/dbraw/zinc/07/71/82/460077182.db2.gz BHGMMIGSDDGEPS-DYESRHJHSA-N 2 0 327.516 3.113 20 0 EGADRP FC(F)(F)COc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000576160148 460080369 /nfs/dbraw/zinc/08/03/69/460080369.db2.gz YLBFJEZUUQBJAE-OAHLLOKOSA-N 2 0 342.405 3.449 20 0 EGADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000576169241 460084233 /nfs/dbraw/zinc/08/42/33/460084233.db2.gz CIWLTAODGVQEHF-SFTDATJTSA-N 2 0 326.484 3.263 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000602869165 460166040 /nfs/dbraw/zinc/16/60/40/460166040.db2.gz JNJJDMYPVCMUKR-IBGZPJMESA-N 2 0 344.547 3.352 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000602951070 460199252 /nfs/dbraw/zinc/19/92/52/460199252.db2.gz JSAHCMGISUQWRR-HXUWFJFHSA-N 2 0 343.515 3.163 20 0 EGADRP COC(=O)CCCC[N@@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000599340380 460232002 /nfs/dbraw/zinc/23/20/02/460232002.db2.gz UZGUQKGQCNQYED-INIZCTEOSA-N 2 0 329.444 3.152 20 0 EGADRP COC(=O)CCCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000599363322 460239804 /nfs/dbraw/zinc/23/98/04/460239804.db2.gz PFKIHCXBASCWCO-IAGOWNOFSA-N 2 0 332.488 3.076 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622569218 460280284 /nfs/dbraw/zinc/28/02/84/460280284.db2.gz WCBYMJNYPXVIFV-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cc(C)ccc1C ZINC000626019742 460340459 /nfs/dbraw/zinc/34/04/59/460340459.db2.gz LFSPKZZVQFITHZ-HXUWFJFHSA-N 2 0 345.531 3.333 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631569609 460448471 /nfs/dbraw/zinc/44/84/71/460448471.db2.gz LNEWDLVRDOBUPT-MSOLQXFVSA-N 2 0 342.531 3.105 20 0 EGADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H](O)C(F)(F)F ZINC000631716190 460528925 /nfs/dbraw/zinc/52/89/25/460528925.db2.gz JQFPPZXBBVHZAG-LYAPFXNSSA-N 2 0 344.421 3.331 20 0 EGADRP CC[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+](CC)CC ZINC000607051142 460783784 /nfs/dbraw/zinc/78/37/84/460783784.db2.gz MQRZPMAZDDIXKX-WMZOPIPTSA-N 2 0 333.520 3.352 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)o1 ZINC000607125380 460793359 /nfs/dbraw/zinc/79/33/59/460793359.db2.gz YLONLYOONFBEHY-HZPDHXFCSA-N 2 0 335.492 3.066 20 0 EGADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629531949 460797346 /nfs/dbraw/zinc/79/73/46/460797346.db2.gz FRZKBACFQHMKBI-KGLIPLIRSA-N 2 0 327.394 3.312 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000629551605 460803700 /nfs/dbraw/zinc/80/37/00/460803700.db2.gz WGVKCQHEMPGMGC-CWFSZBLJSA-N 2 0 326.484 3.459 20 0 EGADRP COc1ccccc1CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565935 460812194 /nfs/dbraw/zinc/81/21/94/460812194.db2.gz XHQYITBOJHVRHZ-HUUCEWRRSA-N 2 0 330.394 3.087 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000629568999 460813092 /nfs/dbraw/zinc/81/30/92/460813092.db2.gz VOLBWKYYGSVURS-MDMXATFFSA-N 2 0 330.516 3.395 20 0 EGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121898 460870318 /nfs/dbraw/zinc/87/03/18/460870318.db2.gz FUYJFGMVLPPGCO-QUCCMNQESA-N 2 0 341.503 3.039 20 0 EGADRP C[C@H]([NH3+])c1ccc(-c2ccc([C@H](C)N3CC[NH2+]CC3)cc2)cc1F ZINC000629737623 460898997 /nfs/dbraw/zinc/89/89/97/460898997.db2.gz KMBLWUGPESCTQL-GJZGRUSLSA-N 2 0 327.447 3.479 20 0 EGADRP CC(C)CN(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000613644874 461025355 /nfs/dbraw/zinc/02/53/55/461025355.db2.gz TXWQFJPAYXAHED-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CO[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CCOCC1 ZINC000637906234 461118440 /nfs/dbraw/zinc/11/84/40/461118440.db2.gz SAMWWOIBHIGLNP-HXUWFJFHSA-N 2 0 338.536 3.016 20 0 EGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@@H]1CC[NH3+] ZINC000652353919 461149710 /nfs/dbraw/zinc/14/97/10/461149710.db2.gz HBMWXUGLIVRGCM-BLLLJJGKSA-N 2 0 341.858 3.257 20 0 EGADRP C[C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CC[NH3+] ZINC000652355143 461150071 /nfs/dbraw/zinc/15/00/71/461150071.db2.gz QBIPSWCYYOHGQQ-XJKSGUPXSA-N 2 0 348.878 3.382 20 0 EGADRP Fc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000662273789 461161188 /nfs/dbraw/zinc/16/11/88/461161188.db2.gz PDLXJRDHGYASBQ-QWHCGFSZSA-N 2 0 328.378 3.249 20 0 EGADRP CC(C)c1nc([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)no1 ZINC000662277585 461163708 /nfs/dbraw/zinc/16/37/08/461163708.db2.gz RQRFIPYJUROMAP-QGZVFWFLSA-N 2 0 340.471 3.218 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290728 461167899 /nfs/dbraw/zinc/16/78/99/461167899.db2.gz IUCXHDGAPZMLJP-WBVHZDCISA-N 2 0 347.478 3.173 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290725 461168054 /nfs/dbraw/zinc/16/80/54/461168054.db2.gz IUCXHDGAPZMLJP-DOTOQJQBSA-N 2 0 347.478 3.173 20 0 EGADRP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296187 461175344 /nfs/dbraw/zinc/17/53/44/461175344.db2.gz XJIMCELKQZBRAE-SFHVURJKSA-N 2 0 343.515 3.460 20 0 EGADRP Cc1cncc(CC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000649585201 461196309 /nfs/dbraw/zinc/19/63/09/461196309.db2.gz ONRSNZWASSEXSE-IRXDYDNUSA-N 2 0 338.499 3.074 20 0 EGADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000638100767 461239890 /nfs/dbraw/zinc/23/98/90/461239890.db2.gz MHBJWTHZGXYFRD-QFBILLFUSA-N 2 0 331.504 3.092 20 0 EGADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)c2C1 ZINC000655446782 461254589 /nfs/dbraw/zinc/25/45/89/461254589.db2.gz APKYGPIQYKGSCN-RXVVDRJESA-N 2 0 341.499 3.377 20 0 EGADRP OC1(C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CC1 ZINC000649670481 461261590 /nfs/dbraw/zinc/26/15/90/461261590.db2.gz NJXHZSBZNUZQOQ-UHFFFAOYSA-N 2 0 328.500 3.409 20 0 EGADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000659279276 461270723 /nfs/dbraw/zinc/27/07/23/461270723.db2.gz YOWPZAIBBLMRIO-NRFANRHFSA-N 2 0 349.478 3.002 20 0 EGADRP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000649782711 461346888 /nfs/dbraw/zinc/34/68/88/461346888.db2.gz QIYMIAMFBYFUBY-BPQIPLTHSA-N 2 0 346.519 3.322 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000662695102 461350264 /nfs/dbraw/zinc/35/02/64/461350264.db2.gz GIGFUUXXOZRLNZ-IBGZPJMESA-N 2 0 333.520 3.154 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000633953336 461350751 /nfs/dbraw/zinc/35/07/51/461350751.db2.gz FFIDWCPTTOBXAP-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCCn4ccnc43)CC2)c1 ZINC000655704113 461375894 /nfs/dbraw/zinc/37/58/94/461375894.db2.gz PUPKNYRHWPOAFT-QGZVFWFLSA-N 2 0 330.501 3.281 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655708904 461378711 /nfs/dbraw/zinc/37/87/11/461378711.db2.gz PJMJPYBSZGGYHH-YLJYHZDGSA-N 2 0 329.532 3.154 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N(C)CCCC[NH+]2CCCCC2)c1 ZINC000641818103 461388002 /nfs/dbraw/zinc/38/80/02/461388002.db2.gz SKNFRUADLMUMFD-UHFFFAOYSA-N 2 0 332.492 3.136 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000638363299 461389029 /nfs/dbraw/zinc/38/90/29/461389029.db2.gz LAYDEXDAFPNHIG-DUXKGJEZSA-N 2 0 346.515 3.060 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000638367142 461390955 /nfs/dbraw/zinc/39/09/55/461390955.db2.gz MKXLZMLWYCXJMH-DZFGPLHGSA-N 2 0 346.515 3.202 20 0 EGADRP C[NH+]1CCC(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000652871431 461393612 /nfs/dbraw/zinc/39/36/12/461393612.db2.gz IYZJUNOUXFZMTK-UHFFFAOYSA-N 2 0 347.528 3.155 20 0 EGADRP COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1O ZINC000668783927 461432250 /nfs/dbraw/zinc/43/22/50/461432250.db2.gz XKIYHPQSOQBEGE-INIZCTEOSA-N 2 0 346.515 3.434 20 0 EGADRP CC(C)c1[nH+]c(CN2CCO[C@H](CCC[NH+](C)C)C2)c2ccccn21 ZINC000668785211 461434287 /nfs/dbraw/zinc/43/42/87/461434287.db2.gz NZQNNWOULCKTFX-QGZVFWFLSA-N 2 0 344.503 3.000 20 0 EGADRP COc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)sn1 ZINC000638456755 461438652 /nfs/dbraw/zinc/43/86/52/461438652.db2.gz NTFAOJXDEHUIFP-UHFFFAOYSA-N 2 0 337.514 3.215 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082546 461446318 /nfs/dbraw/zinc/44/63/18/461446318.db2.gz KKSRKIANURRYME-GOSISDBHSA-N 2 0 349.950 3.205 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647010564 461481292 /nfs/dbraw/zinc/48/12/92/461481292.db2.gz SUNYKRBPFQAUTI-IEBWSBKVSA-N 2 0 331.504 3.118 20 0 EGADRP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[N@@H+](CC4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638583030 461494097 /nfs/dbraw/zinc/49/40/97/461494097.db2.gz WWQAGEHOFNEIPN-ONTIZHBOSA-N 2 0 339.527 3.428 20 0 EGADRP Cc1ccc(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000642342625 461500686 /nfs/dbraw/zinc/50/06/86/461500686.db2.gz SOXWTPOVVCMUMU-UHFFFAOYSA-N 2 0 328.456 3.395 20 0 EGADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653110844 461507099 /nfs/dbraw/zinc/50/70/99/461507099.db2.gz WQNAOPAGNRUJMS-MOPGFXCFSA-N 2 0 327.472 3.142 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112098 461507225 /nfs/dbraw/zinc/50/72/25/461507225.db2.gz LNZANFGUECRETF-VQTJNVASSA-N 2 0 341.499 3.184 20 0 EGADRP c1ccc2c(c1)OC[C@H](C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)O2 ZINC000642527473 461524064 /nfs/dbraw/zinc/52/40/64/461524064.db2.gz GSAQAVJKQYOPKR-IBGZPJMESA-N 2 0 344.499 3.414 20 0 EGADRP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)Oc1ccccc1 ZINC000638750972 461563130 /nfs/dbraw/zinc/56/31/30/461563130.db2.gz PCPHCUNOFTYJGE-PMACEKPBSA-N 2 0 346.515 3.202 20 0 EGADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663345947 461575026 /nfs/dbraw/zinc/57/50/26/461575026.db2.gz PJGXQGFRZIEWAG-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663346982 461577230 /nfs/dbraw/zinc/57/72/30/461577230.db2.gz DSPDIXNEJIMMHJ-INIZCTEOSA-N 2 0 328.460 3.190 20 0 EGADRP O=c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631139706 461584162 /nfs/dbraw/zinc/58/41/62/461584162.db2.gz IGJQOKWFXRLJFF-IBGZPJMESA-N 2 0 325.456 3.179 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663357726 461585498 /nfs/dbraw/zinc/58/54/98/461585498.db2.gz WEOLZNCTEGDXOI-SFHVURJKSA-N 2 0 331.504 3.284 20 0 EGADRP Fc1cc(Br)cc2c1CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000643058498 461598066 /nfs/dbraw/zinc/59/80/66/461598066.db2.gz IDAHIRXTKGUOHO-GFCCVEGCSA-N 2 0 341.268 3.336 20 0 EGADRP O=C(CC[NH2+]CC1CC[NH+](CC2CC2)CC1)Nc1cccc(Cl)c1 ZINC000663374417 461600807 /nfs/dbraw/zinc/60/08/07/461600807.db2.gz JYWIGMXDABSVDR-UHFFFAOYSA-N 2 0 349.906 3.380 20 0 EGADRP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000647288045 461615842 /nfs/dbraw/zinc/61/58/42/461615842.db2.gz FEGVJKZPUHSXPO-YLJYHZDGSA-N 2 0 333.520 3.008 20 0 EGADRP CO[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000638853316 461618515 /nfs/dbraw/zinc/61/85/15/461618515.db2.gz DXXYJQINYVEDHY-NHCUHLMSSA-N 2 0 346.515 3.060 20 0 EGADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638853806 461618644 /nfs/dbraw/zinc/61/86/44/461618644.db2.gz KGAHJCNFNCBRPK-QFBILLFUSA-N 2 0 331.504 3.064 20 0 EGADRP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638873982 461633821 /nfs/dbraw/zinc/63/38/21/461633821.db2.gz OJZUWINAEFDBHG-QFUCXCTJSA-N 2 0 327.516 3.286 20 0 EGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469958 461660351 /nfs/dbraw/zinc/66/03/51/461660351.db2.gz RZQXGPYGQXHUQF-FPOVZHCZSA-N 2 0 348.506 3.485 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000669510438 461707708 /nfs/dbraw/zinc/70/77/08/461707708.db2.gz IQABIRSRBIUYHH-MSOLQXFVSA-N 2 0 345.874 3.279 20 0 EGADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Br ZINC000643534090 461755041 /nfs/dbraw/zinc/75/50/41/461755041.db2.gz LLQLJSAFJSLYNE-HZMBPMFUSA-N 2 0 327.241 3.381 20 0 EGADRP C[N@H+](CCC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000647496989 461735176 /nfs/dbraw/zinc/73/51/76/461735176.db2.gz JZRRLRCIPPVARH-UHFFFAOYSA-N 2 0 334.467 3.379 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480203 461741802 /nfs/dbraw/zinc/74/18/02/461741802.db2.gz FTOPEMDQMNLFQY-DARKYYSBSA-N 2 0 327.516 3.017 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CCCC[NH2+]4)[C@@H]3C2)cc1 ZINC000643501647 461746956 /nfs/dbraw/zinc/74/69/56/461746956.db2.gz NCLYCIJPJNEXCO-BURNTYAHSA-N 2 0 327.516 3.019 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534077 461755259 /nfs/dbraw/zinc/75/52/59/461755259.db2.gz KTKBXCPDYRNNGN-YOEHRIQHSA-N 2 0 330.476 3.009 20 0 EGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643533845 461755516 /nfs/dbraw/zinc/75/55/16/461755516.db2.gz FWRCEXRRJKZKKS-MAUKXSAKSA-N 2 0 344.503 3.353 20 0 EGADRP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536874 461757208 /nfs/dbraw/zinc/75/72/08/461757208.db2.gz XJQZPQGPDXBROM-CABCVRRESA-N 2 0 335.289 3.477 20 0 EGADRP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536961 461757400 /nfs/dbraw/zinc/75/74/00/461757400.db2.gz XMECWHNZFFGIFW-LSDHHAIUSA-N 2 0 326.362 3.304 20 0 EGADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542807 461757649 /nfs/dbraw/zinc/75/76/49/461757649.db2.gz CAIOMMZWSAYJIF-RBUKOAKNSA-N 2 0 330.520 3.138 20 0 EGADRP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC000647544083 461759762 /nfs/dbraw/zinc/75/97/62/461759762.db2.gz WMXCDIFKNMJSFZ-HZPDHXFCSA-N 2 0 330.501 3.145 20 0 EGADRP COc1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)O[C@H](C)C2 ZINC000647543680 461760147 /nfs/dbraw/zinc/76/01/47/461760147.db2.gz RBFBKBCUGMWSQA-ZACQAIPSSA-N 2 0 344.499 3.230 20 0 EGADRP Fc1cccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccn2)c1 ZINC000643549173 461760684 /nfs/dbraw/zinc/76/06/84/461760684.db2.gz LQBJNDCNASKXHG-YTXYEVPYSA-N 2 0 325.431 3.288 20 0 EGADRP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000643547860 461761006 /nfs/dbraw/zinc/76/10/06/461761006.db2.gz JWGFNQRAHHKTIQ-RHSMWYFYSA-N 2 0 329.444 3.495 20 0 EGADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000647550676 461762844 /nfs/dbraw/zinc/76/28/44/461762844.db2.gz ANEFSFCNKSWUSZ-KWCYVHTRSA-N 2 0 328.378 3.192 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000647549784 461763410 /nfs/dbraw/zinc/76/34/10/461763410.db2.gz QLJBMWPWMKXMPN-VIPLHTEESA-N 2 0 330.472 3.133 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC000647789777 461835561 /nfs/dbraw/zinc/83/55/61/461835561.db2.gz LHLZLRWJRSDNKX-CEXWTWQISA-N 2 0 328.500 3.021 20 0 EGADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647788294 461835968 /nfs/dbraw/zinc/83/59/68/461835968.db2.gz HBVWOXIKBNGJDP-HMXCVIKNSA-N 3 0 327.516 3.150 20 0 EGADRP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647792027 461837156 /nfs/dbraw/zinc/83/71/56/461837156.db2.gz ROTSDWVXFWFAIY-HUUJSLGLSA-N 2 0 328.500 3.448 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647791889 461837287 /nfs/dbraw/zinc/83/72/87/461837287.db2.gz PHIFQULLUPENGT-YZGWKJHDSA-N 2 0 338.499 3.091 20 0 EGADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856311 461837598 /nfs/dbraw/zinc/83/75/98/461837598.db2.gz AGVPRTDBENSXEL-QGZVFWFLSA-N 2 0 346.906 3.433 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCC4CCC4)CC3)C2)cc1 ZINC000660540041 461840600 /nfs/dbraw/zinc/84/06/00/461840600.db2.gz YJORSNRNNKBKQX-OAQYLSRUSA-N 2 0 327.516 3.069 20 0 EGADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccco2)cc1 ZINC000647799693 461841584 /nfs/dbraw/zinc/84/15/84/461841584.db2.gz OHCBDLRHKAYXJA-LJCCNALRSA-N 2 0 326.440 3.355 20 0 EGADRP C[N@H+](CCC[NH3+])CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000647849303 461856965 /nfs/dbraw/zinc/85/69/65/461856965.db2.gz OMPWLSCBULBQGD-UHFFFAOYSA-N 2 0 327.428 3.088 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954156 461886451 /nfs/dbraw/zinc/88/64/51/461886451.db2.gz QZBSHPJSYBSQCW-GOSISDBHSA-N 2 0 338.499 3.402 20 0 EGADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647936648 461894541 /nfs/dbraw/zinc/89/45/41/461894541.db2.gz JDBNPGPQANQPTD-DOMZBBRYSA-N 2 0 343.393 3.093 20 0 EGADRP C[N@@H+]1CCC[C@@]2(CCN(CCSc3ccc(F)cc3F)C2)C1 ZINC000660641812 461897933 /nfs/dbraw/zinc/89/79/33/461897933.db2.gz KAOOIZMFFPPECT-QGZVFWFLSA-N 2 0 326.456 3.475 20 0 EGADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706497 461899050 /nfs/dbraw/zinc/89/90/50/461899050.db2.gz LXNLPYAVHSQWGK-BJLQDIEVSA-N 2 0 332.488 3.192 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706754 461899239 /nfs/dbraw/zinc/89/92/39/461899239.db2.gz RTNAIRJDAGSAOH-NLWGTHIKSA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000650707665 461901130 /nfs/dbraw/zinc/90/11/30/461901130.db2.gz KLHXRKLCCHQPKU-VMGRFDJRSA-N 2 0 326.843 3.197 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000660655465 461907446 /nfs/dbraw/zinc/90/74/46/461907446.db2.gz NMLMFNSHDSWPIE-GOSISDBHSA-N 2 0 335.879 3.086 20 0 EGADRP C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000650718139 461909998 /nfs/dbraw/zinc/90/99/98/461909998.db2.gz ZMHVQFDVJNGWQS-OXJNMPFZSA-N 2 0 341.474 3.427 20 0 EGADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965112 461910210 /nfs/dbraw/zinc/91/02/10/461910210.db2.gz HEPOCSUPUSGJFD-MSOLQXFVSA-N 2 0 337.552 3.077 20 0 EGADRP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650722233 461914508 /nfs/dbraw/zinc/91/45/08/461914508.db2.gz NRTPMRGUXRYASW-LZLYRXPVSA-N 2 0 338.879 3.209 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650751856 461932815 /nfs/dbraw/zinc/93/28/15/461932815.db2.gz CQCPZASPSLOGCL-AWEZNQCLSA-N 2 0 332.419 3.160 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC2CC[NH2+]CC2)C3)cc1 ZINC000650763221 461942112 /nfs/dbraw/zinc/94/21/12/461942112.db2.gz UYEOEXPEDJRWRD-MZADTFQBSA-N 3 0 327.516 3.161 20 0 EGADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182693 461983642 /nfs/dbraw/zinc/98/36/42/461983642.db2.gz LVPCKZVBABFSJX-PMACEKPBSA-N 2 0 329.532 3.361 20 0 EGADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCc2cnccn2)CC3)cc1 ZINC000639552584 461985095 /nfs/dbraw/zinc/98/50/95/461985095.db2.gz BSYNYCCGZXTEGX-UHFFFAOYSA-N 2 0 336.483 3.007 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000657347548 462063189 /nfs/dbraw/zinc/06/31/89/462063189.db2.gz BKNKHIGYVTYMNT-UHFFFAOYSA-N 2 0 340.393 3.180 20 0 EGADRP CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000657366663 462075404 /nfs/dbraw/zinc/07/54/04/462075404.db2.gz JEOIHAPJHHUZIX-HDICACEKSA-N 2 0 334.504 3.373 20 0 EGADRP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc21 ZINC000657433435 462120286 /nfs/dbraw/zinc/12/02/86/462120286.db2.gz XCBJYCMXFCUIOW-FQEVSTJZSA-N 2 0 349.478 3.333 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000648453590 462126019 /nfs/dbraw/zinc/12/60/19/462126019.db2.gz PAOFHCQLUAIXSF-RBUKOAKNSA-N 2 0 332.488 3.208 20 0 EGADRP CCc1noc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000645007732 462157761 /nfs/dbraw/zinc/15/77/61/462157761.db2.gz RIOFZPYWBLOANP-UHFFFAOYSA-N 2 0 340.471 3.120 20 0 EGADRP COc1ccc(C[C@@H]2CCC[N@H+](Cc3cnc4n3CCC4)C2)cc1 ZINC000667621019 462177400 /nfs/dbraw/zinc/17/74/00/462177400.db2.gz XKUNLDHBGVMVAQ-KRWDZBQOSA-N 2 0 325.456 3.293 20 0 EGADRP CN(Cc1c(C2CC2)cnn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620894 462177613 /nfs/dbraw/zinc/17/76/13/462177613.db2.gz UCHRQOQYRWXFGZ-GOSISDBHSA-N 2 0 338.499 3.251 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)COC)cc2)C[C@@H]1C ZINC000667664558 462198568 /nfs/dbraw/zinc/19/85/68/462198568.db2.gz NUPSWQGSNFIXDA-LNLFQRSKSA-N 2 0 334.504 3.405 20 0 EGADRP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000639984148 462204518 /nfs/dbraw/zinc/20/45/18/462204518.db2.gz QHRHLQBGNNHSJB-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731259 462235752 /nfs/dbraw/zinc/23/57/52/462235752.db2.gz OPWNHNUDBWHNDE-DNVCBOLYSA-N 2 0 338.455 3.102 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667731590 462236001 /nfs/dbraw/zinc/23/60/01/462236001.db2.gz XXTKVRMAAXZHSN-UHFFFAOYSA-N 2 0 332.492 3.121 20 0 EGADRP Fc1ccc(-n2nccc2C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657812878 462279356 /nfs/dbraw/zinc/27/93/56/462279356.db2.gz JQOUOVFVCQMBLE-UHFFFAOYSA-N 2 0 342.462 3.223 20 0 EGADRP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CCC1 ZINC000657826959 462286685 /nfs/dbraw/zinc/28/66/85/462286685.db2.gz JVINNZLJLDWGAP-KURKYZTESA-N 2 0 346.515 3.343 20 0 EGADRP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000667853918 462295598 /nfs/dbraw/zinc/29/55/98/462295598.db2.gz SVMUHJTYIRRYPR-ICSRJNTNSA-N 2 0 348.531 3.353 20 0 EGADRP COc1cc(OC)c(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1F ZINC000651679348 462300882 /nfs/dbraw/zinc/30/08/82/462300882.db2.gz XVGQGTQFMZRJMS-UHFFFAOYSA-N 2 0 338.467 3.445 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OCC)CC2)[C@@H](C)C1 ZINC000657884203 462307302 /nfs/dbraw/zinc/30/73/02/462307302.db2.gz MXNRTSRRKAFAEJ-MKCYZYCBSA-N 2 0 326.525 3.061 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnnn2-c2ccccc2)c1 ZINC000651706272 462310123 /nfs/dbraw/zinc/31/01/23/462310123.db2.gz ZONNHYIHRHKUMX-UHFFFAOYSA-N 2 0 335.455 3.009 20 0 EGADRP CCOC1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000657970239 462332919 /nfs/dbraw/zinc/33/29/19/462332919.db2.gz ZPLZPNGDBXNOGB-NYLDSWQDSA-N 2 0 346.515 3.081 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@H]1CC[N@H+](C)C1 ZINC000648996088 462361863 /nfs/dbraw/zinc/36/18/63/462361863.db2.gz MEEAUBPKIVHMQD-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OC1CCCC1 ZINC000665238465 462363278 /nfs/dbraw/zinc/36/32/78/462363278.db2.gz YWYYHGHGIOCDGO-JJXSEGSLSA-N 2 0 334.426 3.387 20 0 EGADRP c1ccc([C@@H]2C[C@@H](NCc3cccnc3N3CCCC3)CC[NH2+]2)cc1 ZINC000665236109 462363513 /nfs/dbraw/zinc/36/35/13/462363513.db2.gz HMSRBBNLVRJYPH-PMACEKPBSA-N 2 0 336.483 3.265 20 0 EGADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000665258533 462373057 /nfs/dbraw/zinc/37/30/57/462373057.db2.gz CRVJLZQUSXLOIN-HUYLIWGRSA-N 2 0 325.431 3.006 20 0 EGADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000665263032 462375580 /nfs/dbraw/zinc/37/55/80/462375580.db2.gz DWDLRYAMTCRDKJ-WRTQPQOASA-N 2 0 328.500 3.460 20 0 EGADRP CC[N@H+](CCCNCc1ccc(C(=O)NC)cc1)C1CCCCC1 ZINC000651909653 462376531 /nfs/dbraw/zinc/37/65/31/462376531.db2.gz RYRHMKMGTXXQSS-UHFFFAOYSA-N 2 0 331.504 3.181 20 0 EGADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000665294341 462388950 /nfs/dbraw/zinc/38/89/50/462388950.db2.gz MTDRMAFGDDMXKY-ZFWWWQNUSA-N 2 0 346.862 3.110 20 0 EGADRP CO[C@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)COCc1ccccc1 ZINC000658132230 462397774 /nfs/dbraw/zinc/39/77/74/462397774.db2.gz JRGMPGHZPOWNHE-OAQYLSRUSA-N 2 0 348.531 3.461 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1(CO)CC1 ZINC000658154239 462408783 /nfs/dbraw/zinc/40/87/83/462408783.db2.gz KHEHFAYZUNIVRG-NBYUQASBSA-N 2 0 328.500 3.180 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCSCC1 ZINC000658168883 462416793 /nfs/dbraw/zinc/41/67/93/462416793.db2.gz ZWGACRLYKAQJGD-INIZCTEOSA-N 2 0 333.545 3.415 20 0 EGADRP CCCCc1nc2cc(NC(=O)C3([NH3+])Cc4ccccc4C3)ccc2[nH]1 ZINC000649297634 462470484 /nfs/dbraw/zinc/47/04/84/462470484.db2.gz JIADEYRLBLCHOX-UHFFFAOYSA-N 2 0 348.450 3.340 20 0 EGADRP CCCCc1nc2cc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)ccc2[nH]1 ZINC000649297595 462470835 /nfs/dbraw/zinc/47/08/35/462470835.db2.gz GAWDJEAKINMZQA-JKSUJKDBSA-N 2 0 340.471 3.480 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000649304800 462474205 /nfs/dbraw/zinc/47/42/05/462474205.db2.gz WWFZNIMQWHNSIA-QGZVFWFLSA-N 2 0 325.456 3.098 20 0 EGADRP CCc1noc(C2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)n1 ZINC000658358011 462490221 /nfs/dbraw/zinc/49/02/21/462490221.db2.gz XJHRDSAGLYMONE-UHFFFAOYSA-N 2 0 346.519 3.370 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1)C(C)C ZINC000649370707 462490309 /nfs/dbraw/zinc/49/03/09/462490309.db2.gz VPJFECQSHZPOMZ-IBGZPJMESA-N 2 0 343.515 3.321 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)C[NH+]1CCCC1 ZINC000165327230 534126588 /nfs/dbraw/zinc/12/65/88/534126588.db2.gz SXFXRQNORKYESM-IAGOWNOFSA-N 2 0 329.488 3.196 20 0 EGADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000181935317 534671549 /nfs/dbraw/zinc/67/15/49/534671549.db2.gz CWQAHXVEKGHKPO-QGZVFWFLSA-N 2 0 325.456 3.010 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)c1ccccc1 ZINC000370624099 525616177 /nfs/dbraw/zinc/61/61/77/525616177.db2.gz GYAKSDGCYOCLGU-HKUYNNGSSA-N 2 0 329.532 3.111 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000191523262 527717986 /nfs/dbraw/zinc/71/79/86/527717986.db2.gz YDAHXWXCZXKXFZ-RDJZCZTQSA-N 2 0 338.517 3.179 20 0 EGADRP CC1(C)[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181917601 527827906 /nfs/dbraw/zinc/82/79/06/527827906.db2.gz GTSJDCRHYSFAQO-FHWLQOOXSA-N 2 0 329.488 3.091 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000181681809 527870255 /nfs/dbraw/zinc/87/02/55/527870255.db2.gz GGFRYUYCONUYQQ-BQJUDKOJSA-N 2 0 342.527 3.344 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000181875572 528037630 /nfs/dbraw/zinc/03/76/30/528037630.db2.gz HXUGDXXXLMWIED-GOEBONIOSA-N 2 0 334.460 3.449 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C)c2)[C@H](C)C1 ZINC000178706687 528667899 /nfs/dbraw/zinc/66/78/99/528667899.db2.gz LRSAFFAMMSSSHL-QUCCMNQESA-N 2 0 334.504 3.100 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000173694443 529000115 /nfs/dbraw/zinc/00/01/15/529000115.db2.gz NQVZXKSSKWZGFO-FQEVSTJZSA-N 2 0 343.515 3.030 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166147057 529143467 /nfs/dbraw/zinc/14/34/67/529143467.db2.gz KXOVCTBQBGGOAA-OAQYLSRUSA-N 2 0 329.532 3.380 20 0 EGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000154458536 529143524 /nfs/dbraw/zinc/14/35/24/529143524.db2.gz VYVIHCKOTQFBEJ-OAHLLOKOSA-N 2 0 325.447 3.033 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154466585 529143726 /nfs/dbraw/zinc/14/37/26/529143726.db2.gz NQHAGGFGCLRXHZ-LJQANCHMSA-N 2 0 349.494 3.047 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000154310270 529145300 /nfs/dbraw/zinc/14/53/00/529145300.db2.gz AWCJWDVXKBQJPG-FQEVSTJZSA-N 2 0 345.531 3.134 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000338013258 535782747 /nfs/dbraw/zinc/78/27/47/535782747.db2.gz AXBWMVADQKTFLA-UHFFFAOYSA-N 2 0 343.515 3.277 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245545952 535916819 /nfs/dbraw/zinc/91/68/19/535916819.db2.gz CUSFAWGTQUTBCV-DFQSSKMNSA-N 2 0 344.499 3.064 20 0 EGADRP CCCO[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093316786 546682920 /nfs/dbraw/zinc/68/29/20/546682920.db2.gz DPMOHXXJOZSQMP-LJQANCHMSA-N 2 0 334.504 3.408 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093688375 546686943 /nfs/dbraw/zinc/68/69/43/546686943.db2.gz VXPRMSRXSVPUEM-UHFFFAOYSA-N 3 0 347.547 3.181 20 0 EGADRP Clc1ccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1Cl ZINC000111824789 546698134 /nfs/dbraw/zinc/69/81/34/546698134.db2.gz DZJCVWNLTBYLBF-UHFFFAOYSA-N 2 0 328.287 3.115 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000122906096 546735871 /nfs/dbraw/zinc/73/58/71/546735871.db2.gz YKHNAVLLAUZCBT-HNNXBMFYSA-N 2 0 332.488 3.055 20 0 EGADRP Cc1ccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000125041541 546749239 /nfs/dbraw/zinc/74/92/39/546749239.db2.gz SFCXUPMKJFEPSB-WIYYLYMNSA-N 2 0 329.532 3.452 20 0 EGADRP CCC[NH+]1CCC([NH2+]CCCc2ccc(OC)c(OCC)c2)CC1 ZINC000133876933 546823365 /nfs/dbraw/zinc/82/33/65/546823365.db2.gz ZVBDNYMICLUQLB-UHFFFAOYSA-N 2 0 334.504 3.491 20 0 EGADRP Cc1cc(C)cc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134924610 546830853 /nfs/dbraw/zinc/83/08/53/546830853.db2.gz XNXJQVKCOYGOBY-YLJYHZDGSA-N 2 0 341.499 3.191 20 0 EGADRP CCC[NH+]1CCC(Nc2ccccc2C[NH+]2CCC(CO)CC2)CC1 ZINC000153080242 546876813 /nfs/dbraw/zinc/87/68/13/546876813.db2.gz RHROFKHOQZQOBX-UHFFFAOYSA-N 2 0 345.531 3.177 20 0 EGADRP C[C@H]([NH2+]CCc1ccc(Br)s1)C1CC[NH+](C)CC1 ZINC000154195295 546888876 /nfs/dbraw/zinc/88/88/76/546888876.db2.gz ISSUWMQEOZKKQA-NSHDSACASA-N 2 0 331.323 3.373 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000165074520 546983476 /nfs/dbraw/zinc/98/34/76/546983476.db2.gz IGMLQVFKJIJBDU-PBHICJAKSA-N 2 0 349.906 3.155 20 0 EGADRP CC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000166068444 546988588 /nfs/dbraw/zinc/98/85/88/546988588.db2.gz KCPHHZIOAYEMSC-PWRODBHTSA-N 2 0 327.516 3.040 20 0 EGADRP Cc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000166441970 546990325 /nfs/dbraw/zinc/99/03/25/546990325.db2.gz UEHGSWYOYOJNIB-PKOBYXMFSA-N 2 0 325.456 3.409 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000323832903 547471610 /nfs/dbraw/zinc/47/16/10/547471610.db2.gz ILYIRSBAANAKBE-LJQANCHMSA-N 2 0 329.532 3.415 20 0 EGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000354542864 547707741 /nfs/dbraw/zinc/70/77/41/547707741.db2.gz FETSXKHCGWPCFE-QQFBHYJXSA-N 2 0 349.485 3.359 20 0 EGADRP CC[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+](CC)CC ZINC000362565878 547770372 /nfs/dbraw/zinc/77/03/72/547770372.db2.gz DLCAXIBTHDGBKS-AWEZNQCLSA-N 2 0 331.382 3.223 20 0 EGADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385723550 547822620 /nfs/dbraw/zinc/82/26/20/547822620.db2.gz JMSHXLUYZJPBDC-NHCUHLMSSA-N 2 0 340.515 3.410 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ccsc2S1 ZINC000388496599 547825005 /nfs/dbraw/zinc/82/50/05/547825005.db2.gz SBUYZMRWGAABDK-DZGCQCFKSA-N 2 0 339.574 3.289 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC000472276970 547952319 /nfs/dbraw/zinc/95/23/19/547952319.db2.gz OPDVZRLPAGGMRA-IBGZPJMESA-N 2 0 326.525 3.159 20 0 EGADRP CC[C@]1(C)COCC[N@@H+]1CCCCC[NH+]1CCOC[C@]1(C)CC ZINC000535568236 548054129 /nfs/dbraw/zinc/05/41/29/548054129.db2.gz ZHYQKJSPJJTDHB-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP C[C@@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)C(C)(C)C ZINC000670263760 548192821 /nfs/dbraw/zinc/19/28/21/548192821.db2.gz VFZYPXFWJBKACN-IBGZPJMESA-N 2 0 331.548 3.418 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC000671764840 548356387 /nfs/dbraw/zinc/35/63/87/548356387.db2.gz LXILKYWFGQLKEA-CYBMUJFWSA-N 2 0 326.431 3.442 20 0 EGADRP CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000672617459 548453503 /nfs/dbraw/zinc/45/35/03/548453503.db2.gz BCHZXPORIKJNSH-DYESRHJHSA-N 2 0 347.547 3.396 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000675743439 548973018 /nfs/dbraw/zinc/97/30/18/548973018.db2.gz KCNSXPPWWOPYNF-XLIONFOSSA-N 2 0 338.499 3.148 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(s1)CCCC2 ZINC000675876779 548995527 /nfs/dbraw/zinc/99/55/27/548995527.db2.gz ZRVDOYAFPUVJIA-WBVHZDCISA-N 2 0 347.572 3.446 20 0 EGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](CC3CC3)c3ccccc3)C2)CC1 ZINC000675876683 548995771 /nfs/dbraw/zinc/99/57/71/548995771.db2.gz ZGENDJQSKIOKDS-PZJWPPBQSA-N 2 0 327.516 3.286 20 0 EGADRP CCCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000676045816 549027179 /nfs/dbraw/zinc/02/71/79/549027179.db2.gz WOLGMGHIZHBYHJ-NHCUHLMSSA-N 2 0 330.516 3.497 20 0 EGADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C(C)(C)c1ccccc1 ZINC000676052751 549029304 /nfs/dbraw/zinc/02/93/04/549029304.db2.gz PNFIOXDPKZLZCV-QGZVFWFLSA-N 2 0 341.499 3.478 20 0 EGADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000676572175 549111079 /nfs/dbraw/zinc/11/10/79/549111079.db2.gz OMUXSXBKYAXTPQ-AZUAARDMSA-N 2 0 332.488 3.208 20 0 EGADRP CCSc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000677416066 549265826 /nfs/dbraw/zinc/26/58/26/549265826.db2.gz BTCMNFLGFRJYML-INIZCTEOSA-N 2 0 335.561 3.475 20 0 EGADRP CC[N@H+](CCCC1CC[NH+]([C@H]2CCCOC2)CC1)[C@H]1CCCOC1 ZINC000677992657 549371816 /nfs/dbraw/zinc/37/18/16/549371816.db2.gz NYQFWPWZAQDZSR-PMACEKPBSA-N 2 0 338.536 3.159 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)S1 ZINC000678216039 549427659 /nfs/dbraw/zinc/42/76/59/549427659.db2.gz AZIZSQXGSMKBCO-CALCHBBNSA-N 2 0 334.529 3.487 20 0 EGADRP CCC1(O)CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678497726 549508844 /nfs/dbraw/zinc/50/88/44/549508844.db2.gz JEBLXNNRAFUYFE-UHFFFAOYSA-N 2 0 346.515 3.335 20 0 EGADRP CCC[NH+]1CCC([NH2+]C2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000678774513 549559094 /nfs/dbraw/zinc/55/90/94/549559094.db2.gz KEWXHCHPNFNRCK-QGZVFWFLSA-N 2 0 330.520 3.071 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc(O)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000679394266 549703616 /nfs/dbraw/zinc/70/36/16/549703616.db2.gz MGDADFXTHAIIQI-OAHLLOKOSA-N 2 0 343.446 3.134 20 0 EGADRP Clc1ccc(OCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000679439575 549710263 /nfs/dbraw/zinc/71/02/63/549710263.db2.gz AWGLJICLHOKFBN-UHFFFAOYSA-N 2 0 331.847 3.326 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(CO)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679625915 549742603 /nfs/dbraw/zinc/74/26/03/549742603.db2.gz HJSOYRRAMTYSST-GCJKJVERSA-N 2 0 338.495 3.222 20 0 EGADRP C[C@@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO[C@@H]1C1CC1 ZINC000680150090 549827568 /nfs/dbraw/zinc/82/75/68/549827568.db2.gz XGTVDEXNGFXCJQ-NHCUHLMSSA-N 2 0 344.499 3.208 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000680464388 549868429 /nfs/dbraw/zinc/86/84/29/549868429.db2.gz GKOGNHAAWKFECT-YWOLTOGESA-N 2 0 345.575 3.349 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000681250281 549972890 /nfs/dbraw/zinc/97/28/90/549972890.db2.gz CIOQMVYVUOPEBB-HKUYNNGSSA-N 2 0 345.531 3.182 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000682071518 550068653 /nfs/dbraw/zinc/06/86/53/550068653.db2.gz OWCMNJQVAVAXMN-MOPGFXCFSA-N 2 0 345.531 3.085 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000682130773 550076389 /nfs/dbraw/zinc/07/63/89/550076389.db2.gz JJIXGGCRCKEZDN-PZJWPPBQSA-N 2 0 329.532 3.112 20 0 EGADRP CC[C@@]1([NH2+]Cc2ccccc2C[NH2+][C@]2(CC)CCOC2)CCOC1 ZINC000683044637 550182407 /nfs/dbraw/zinc/18/24/07/550182407.db2.gz VCAVCTVBVMDNMI-WOJBJXKFSA-N 2 0 332.488 3.004 20 0 EGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929882 550275089 /nfs/dbraw/zinc/27/50/89/550275089.db2.gz XRNCHLMTYZOJMF-WOJBJXKFSA-N 2 0 327.472 3.025 20 0 EGADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000684112539 550292393 /nfs/dbraw/zinc/29/23/93/550292393.db2.gz WBSRCGHMWDCBNV-OALUTQOASA-N 2 0 326.488 3.298 20 0 EGADRP CO[C@]1(C)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684411084 550326844 /nfs/dbraw/zinc/32/68/44/550326844.db2.gz FRQQDLLFOZYMND-HXUWFJFHSA-N 2 0 332.488 3.162 20 0 EGADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000684557553 550342949 /nfs/dbraw/zinc/34/29/49/550342949.db2.gz WTGYUFCBQHKPQT-LELZANKISA-N 2 0 328.500 3.302 20 0 EGADRP Oc1cccc2c(NCC[N@@H+]3CCc4sccc4C3)cc[nH+]c12 ZINC000684570804 550344071 /nfs/dbraw/zinc/34/40/71/550344071.db2.gz ZVZCXUSDYINRKN-UHFFFAOYSA-N 2 0 325.437 3.472 20 0 EGADRP C[N@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457247 550418791 /nfs/dbraw/zinc/41/87/91/550418791.db2.gz OJZGWIPJXLTPRE-SFHVURJKSA-N 2 0 339.886 3.079 20 0 EGADRP CCCOc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457223 550419202 /nfs/dbraw/zinc/41/92/02/550419202.db2.gz LYRSJKGURPWKAO-HXUWFJFHSA-N 2 0 345.531 3.076 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000685850670 550448242 /nfs/dbraw/zinc/44/82/42/550448242.db2.gz CVOVWRCELWQDMK-PMACEKPBSA-N 2 0 344.499 3.161 20 0 EGADRP COc1ccc([C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000678683671 576168767 /nfs/dbraw/zinc/16/87/67/576168767.db2.gz JXNVTTCGASGEFC-IBGZPJMESA-N 2 0 333.520 3.008 20 0 EGADRP Cc1ccc([C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000681738562 576179538 /nfs/dbraw/zinc/17/95/38/576179538.db2.gz BLZVOANVVVWKFT-HXUWFJFHSA-N 2 0 329.532 3.452 20 0 EGADRP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000682685768 576180211 /nfs/dbraw/zinc/18/02/11/576180211.db2.gz JVJNTOLOJGVILP-UHFFFAOYSA-N 2 0 335.492 3.069 20 0 EGADRP CC(C)N(CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000698101398 1298166853 /nfs/dbraw/zinc/16/68/53/1298166853.db2.gz XUMPNYZPONHSJC-SJORKVTESA-N 2 0 339.524 3.238 20 0 EGADRP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000877767459 1299544253 /nfs/dbraw/zinc/54/42/53/1299544253.db2.gz KFCCWKSWEKNJTK-MSOLQXFVSA-N 2 0 346.494 3.006 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1F ZINC000067121420 1292148348 /nfs/dbraw/zinc/14/83/48/1292148348.db2.gz HIPZYTAGMCHXOJ-NRFANRHFSA-N 2 0 341.474 3.212 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000067452934 1292161091 /nfs/dbraw/zinc/16/10/91/1292161091.db2.gz LZWXHQGTSGJVRY-ZIAGYGMSSA-N 2 0 328.859 3.458 20 0 EGADRP CC(C)Oc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000069708471 1292250043 /nfs/dbraw/zinc/25/00/43/1292250043.db2.gz LGGUKDVEXFNPOI-UHFFFAOYSA-N 2 0 343.471 3.099 20 0 EGADRP CC(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000075763118 1292409384 /nfs/dbraw/zinc/40/93/84/1292409384.db2.gz CIPLKWDHVGWLRP-KRWDZBQOSA-N 2 0 344.330 3.355 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000828936822 1292519573 /nfs/dbraw/zinc/51/95/73/1292519573.db2.gz VDCHCTHHFHAPED-ILXRZTDVSA-N 2 0 337.335 3.297 20 0 EGADRP C[C@H]([NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1)c1ccccc1 ZINC000081400393 1292655713 /nfs/dbraw/zinc/65/57/13/1292655713.db2.gz FASVEKQGUFFOQT-KRWDZBQOSA-N 2 0 331.504 3.108 20 0 EGADRP Cc1ccccc1NC(=[NH2+])NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081525627 1292662084 /nfs/dbraw/zinc/66/20/84/1292662084.db2.gz LIQFYHVPVQYUOM-UHFFFAOYSA-N 2 0 344.503 3.004 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000830136068 1292672140 /nfs/dbraw/zinc/67/21/40/1292672140.db2.gz PEVFJXIDGONNMR-YSIASYRMSA-N 2 0 343.515 3.030 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000086238424 1292730990 /nfs/dbraw/zinc/73/09/90/1292730990.db2.gz NZTPUOPEJZVNBP-MRXNPFEDSA-N 2 0 347.478 3.480 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000090079260 1292786213 /nfs/dbraw/zinc/78/62/13/1292786213.db2.gz ICHTXHMDBNJGLK-IAQYHMDHSA-N 2 0 331.287 3.347 20 0 EGADRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(-c2cc3ccccc3o2)n1 ZINC000105458681 1293038510 /nfs/dbraw/zinc/03/85/10/1293038510.db2.gz MPFPHDGZJXQRAR-UHFFFAOYSA-N 2 0 338.455 3.265 20 0 EGADRP COC1([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000834789564 1293149033 /nfs/dbraw/zinc/14/90/33/1293149033.db2.gz DBKDNZUWSOAUPJ-AZUAARDMSA-N 2 0 346.515 3.072 20 0 EGADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835063386 1293196477 /nfs/dbraw/zinc/19/64/77/1293196477.db2.gz KSGZRAIPBIFLJD-UHFFFAOYSA-N 2 0 347.894 3.193 20 0 EGADRP Cn1nc(-c2ccccc2)c(C[NH2+]CC2CC[NH+](C)CC2)c1Cl ZINC000116339133 1293202927 /nfs/dbraw/zinc/20/29/27/1293202927.db2.gz SLSUEGUOWFRRML-UHFFFAOYSA-N 2 0 332.879 3.172 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3nc(C)cs3)CC2)cc1 ZINC000117384212 1293220341 /nfs/dbraw/zinc/22/03/41/1293220341.db2.gz RIDJFQNWQBEVJL-UHFFFAOYSA-N 2 0 345.512 3.462 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000119782527 1293287329 /nfs/dbraw/zinc/28/73/29/1293287329.db2.gz SKINAMWEEQUXQQ-UXHICEINSA-N 2 0 332.488 3.208 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000121540405 1293376365 /nfs/dbraw/zinc/37/63/65/1293376365.db2.gz RAVKOBVZTMTQDC-HNNXBMFYSA-N 2 0 343.309 3.204 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000121824314 1293391432 /nfs/dbraw/zinc/39/14/32/1293391432.db2.gz VABGVPBNZDOGBV-GJZGRUSLSA-N 2 0 336.476 3.095 20 0 EGADRP CC(C)N(CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000131662026 1293697347 /nfs/dbraw/zinc/69/73/47/1293697347.db2.gz YLJLDMNYYBZAPD-INIZCTEOSA-N 2 0 341.540 3.342 20 0 EGADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152891279 1293990001 /nfs/dbraw/zinc/99/00/01/1293990001.db2.gz MKHGZIHORADDHT-HXUWFJFHSA-N 2 0 345.531 3.080 20 0 EGADRP [NH3+]CCCCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000155546107 1294104019 /nfs/dbraw/zinc/10/40/19/1294104019.db2.gz SZRDTTTVNCTOTH-UHFFFAOYSA-N 2 0 331.504 3.198 20 0 EGADRP [NH3+]CCCCCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000155590628 1294106146 /nfs/dbraw/zinc/10/61/46/1294106146.db2.gz WACGWMPNHZZEKH-UHFFFAOYSA-N 2 0 331.504 3.198 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC000158746071 1294213490 /nfs/dbraw/zinc/21/34/90/1294213490.db2.gz JGDVEDDPVFVCHF-MRXNPFEDSA-N 2 0 329.488 3.484 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2(CO)CCC2)ccc1OC ZINC000184525283 1295198913 /nfs/dbraw/zinc/19/89/13/1295198913.db2.gz RLZKRFSYJLZCCL-MRXNPFEDSA-N 2 0 334.504 3.350 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Br)cc1O ZINC000185359499 1295258598 /nfs/dbraw/zinc/25/85/98/1295258598.db2.gz ILVDZKCQMUERNL-NSHDSACASA-N 2 0 327.266 3.147 20 0 EGADRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000187187690 1295374657 /nfs/dbraw/zinc/37/46/57/1295374657.db2.gz UIVCZWKBHHHJQK-CHWSQXEVSA-N 2 0 341.293 3.456 20 0 EGADRP [NH3+]Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)co1 ZINC000188144373 1295439730 /nfs/dbraw/zinc/43/97/30/1295439730.db2.gz CPNJMGDWPQYINA-UHFFFAOYSA-N 2 0 341.455 3.044 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000237157942 1296222821 /nfs/dbraw/zinc/22/28/21/1296222821.db2.gz NQQYMPFRNLXPRW-UHFFFAOYSA-N 2 0 344.330 3.357 20 0 EGADRP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CCC1(C)C ZINC000871157245 1296246481 /nfs/dbraw/zinc/24/64/81/1296246481.db2.gz IOLNDFVBXLMIMK-UHFFFAOYSA-N 2 0 343.515 3.229 20 0 EGADRP [NH3+]C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000238020839 1296275676 /nfs/dbraw/zinc/27/56/76/1296275676.db2.gz ZSKPKTDQVNSNOE-LJQANCHMSA-N 2 0 343.515 3.034 20 0 EGADRP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247003592 1296379939 /nfs/dbraw/zinc/37/99/39/1296379939.db2.gz JYYALEWMALVCTB-ZACQAIPSSA-N 2 0 341.540 3.390 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000251493785 1296458453 /nfs/dbraw/zinc/45/84/53/1296458453.db2.gz JJYAVWSMVCRRFP-JKOKRWQUSA-N 2 0 327.266 3.236 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592152 1296592999 /nfs/dbraw/zinc/59/29/99/1296592999.db2.gz YJBFSPFXTZWUQS-GXRSIYKFSA-N 3 0 341.543 3.409 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592153 1296594420 /nfs/dbraw/zinc/59/44/20/1296594420.db2.gz YJBFSPFXTZWUQS-YUMYIRISSA-N 3 0 341.543 3.409 20 0 EGADRP FC(F)(F)COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261954817 1296610691 /nfs/dbraw/zinc/61/06/91/1296610691.db2.gz GMYDQMDRXAXRJF-UHFFFAOYSA-N 2 0 328.378 3.203 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262108717 1296618608 /nfs/dbraw/zinc/61/86/08/1296618608.db2.gz KDVAZRODTBLYRR-FQEVSTJZSA-N 2 0 332.488 3.066 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCc3cc(OC)c(OC)cc32)C1 ZINC000872025255 1296668969 /nfs/dbraw/zinc/66/89/69/1296668969.db2.gz JEXRTODXQZWVDX-MAUKXSAKSA-N 2 0 332.488 3.403 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000310016429 1297082846 /nfs/dbraw/zinc/08/28/46/1297082846.db2.gz RTZXSUKIEZRUQW-HZMVEIRTSA-N 2 0 337.508 3.039 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2n2cncn2)c1 ZINC000340476305 1297314979 /nfs/dbraw/zinc/31/49/79/1297314979.db2.gz IPHTWASUMLPMAW-AHRSYUTCSA-N 2 0 341.503 3.249 20 0 EGADRP COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000873204319 1297351137 /nfs/dbraw/zinc/35/11/37/1297351137.db2.gz BJWKRGANHBUBCJ-OAHLLOKOSA-N 2 0 328.481 3.392 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(N2CCCC2=O)cc1 ZINC000873237430 1297380268 /nfs/dbraw/zinc/38/02/68/1297380268.db2.gz NBGLUCXXUQQRKE-INIZCTEOSA-N 2 0 349.478 3.310 20 0 EGADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCCCC34CCCC4)c2)nn1 ZINC000873245252 1297386651 /nfs/dbraw/zinc/38/66/51/1297386651.db2.gz YGYWYAVNAPCICK-IBGZPJMESA-N 2 0 339.487 3.319 20 0 EGADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000873250377 1297391333 /nfs/dbraw/zinc/39/13/33/1297391333.db2.gz GXCUEEBXENDLOE-DIOULYMOSA-N 2 0 335.245 3.458 20 0 EGADRP COCCC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000873256292 1297392602 /nfs/dbraw/zinc/39/26/02/1297392602.db2.gz MRLXYNRDRQERJP-DAXOMENPSA-N 2 0 341.293 3.244 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265502 1297398694 /nfs/dbraw/zinc/39/86/94/1297398694.db2.gz VYAMFZVIOJAUBN-FJIDUMEYSA-N 2 0 332.488 3.145 20 0 EGADRP c1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291336 1297412642 /nfs/dbraw/zinc/41/26/42/1297412642.db2.gz JYGBEPHMBVVWGV-HSALFYBXSA-N 2 0 328.500 3.461 20 0 EGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CCCO2 ZINC000873292687 1297414461 /nfs/dbraw/zinc/41/44/61/1297414461.db2.gz UTVRYURLGAXBTB-IEBWSBKVSA-N 2 0 344.499 3.265 20 0 EGADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293458 1297415736 /nfs/dbraw/zinc/41/57/36/1297415736.db2.gz MWNGBACGEFZNLM-WBVHZDCISA-N 2 0 334.529 3.088 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000378884856 1297524653 /nfs/dbraw/zinc/52/46/53/1297524653.db2.gz HGVHQNFJSAOHCM-OAQYLSRUSA-N 2 0 331.548 3.247 20 0 EGADRP COC(=O)/C(C)=C/C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000381382640 1297551510 /nfs/dbraw/zinc/55/15/10/1297551510.db2.gz PSSYUZJGWQEBRF-QGMBQPNBSA-N 2 0 342.483 3.094 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000397494371 1297701204 /nfs/dbraw/zinc/70/12/04/1297701204.db2.gz OSSOOPFKOQJNOA-SFHVURJKSA-N 3 0 329.532 3.219 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400432559 1297730298 /nfs/dbraw/zinc/73/02/98/1297730298.db2.gz LOAINNZPYLDNNQ-MRXNPFEDSA-N 2 0 341.540 3.342 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000693861137 1298152908 /nfs/dbraw/zinc/15/29/08/1298152908.db2.gz HSOQHVSNTCHSFL-GVDBMIGSSA-N 2 0 339.524 3.144 20 0 EGADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000699211208 1298169687 /nfs/dbraw/zinc/16/96/87/1298169687.db2.gz QIBIZLBNNYJTEJ-VTHDOGFWSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715193146 1298277852 /nfs/dbraw/zinc/27/78/52/1298277852.db2.gz HFLSZLORKVKSOI-QZWWFDLISA-N 2 0 339.524 3.094 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000715187459 1298278909 /nfs/dbraw/zinc/27/89/09/1298278909.db2.gz WKDIGPJTMFAQLQ-SOEBMCCKSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000715558561 1298280067 /nfs/dbraw/zinc/28/00/67/1298280067.db2.gz PNUBQYVREVJXRW-JKSUJKDBSA-N 2 0 341.540 3.484 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000746178317 1298548406 /nfs/dbraw/zinc/54/84/06/1298548406.db2.gz MTKUEGWNWJONCX-IRXDYDNUSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[C@H](NCc2ccc(Cl)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000877076201 1299147799 /nfs/dbraw/zinc/14/77/99/1299147799.db2.gz NVIUZMGWGMZCFH-GOEBONIOSA-N 2 0 330.863 3.273 20 0 EGADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1)C1CCCC1 ZINC000877445293 1299305718 /nfs/dbraw/zinc/30/57/18/1299305718.db2.gz SQJIXAVJCFKKQN-FOIQADDNSA-N 2 0 341.499 3.050 20 0 EGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877450244 1299310324 /nfs/dbraw/zinc/31/03/24/1299310324.db2.gz FEXLFQXHYHMPGT-UIXUWTQFSA-N 2 0 335.536 3.040 20 0 EGADRP COc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(Cl)cc1O ZINC000877684443 1299477285 /nfs/dbraw/zinc/47/72/85/1299477285.db2.gz UUVFOVSZVOAHNU-UHFFFAOYSA-N 2 0 338.879 3.362 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]nc1-c1ccsc1)CC2 ZINC000877683925 1299477344 /nfs/dbraw/zinc/47/73/44/1299477344.db2.gz BPGRIZUNEXZAFP-UHFFFAOYSA-N 2 0 330.501 3.446 20 0 EGADRP COC(=O)c1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc1F ZINC000877698500 1299490036 /nfs/dbraw/zinc/49/00/36/1299490036.db2.gz XVGCGLAGBJNFEQ-UHFFFAOYSA-N 2 0 336.451 3.212 20 0 EGADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000878172659 1299796371 /nfs/dbraw/zinc/79/63/71/1299796371.db2.gz KOJSGYARXNLLJS-KRWDZBQOSA-N 2 0 326.444 3.315 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000879208612 1300429662 /nfs/dbraw/zinc/42/96/62/1300429662.db2.gz BUEVUPJZIPRGGF-GOSISDBHSA-N 2 0 336.520 3.055 20 0 EGADRP Cc1ccc2c(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)cc(=O)oc2c1 ZINC000879249291 1300452514 /nfs/dbraw/zinc/45/25/14/1300452514.db2.gz LEQPJOUAZFNMTN-UHFFFAOYSA-N 2 0 340.467 3.409 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000879595346 1300618991 /nfs/dbraw/zinc/61/89/91/1300618991.db2.gz ZDWCULOOFSGBTM-TZIWHRDSSA-N 2 0 341.543 3.282 20 0 EGADRP FC[C@H]1CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@H](CF)C3)c2)C1 ZINC000880238081 1300998398 /nfs/dbraw/zinc/99/83/98/1300998398.db2.gz NVNCKMVXJRVUBU-IAGOWNOFSA-N 2 0 337.458 3.445 20 0 EGADRP COc1ccc2c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc[nH+]c2c1 ZINC000765463055 1302269201 /nfs/dbraw/zinc/26/92/01/1302269201.db2.gz GUANAKDFCUNWTG-KRWDZBQOSA-N 2 0 341.455 3.299 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)CC)[C@H](C)C1 ZINC000765851112 1302340254 /nfs/dbraw/zinc/34/02/54/1302340254.db2.gz YEYURVYJGKDVDQ-UYAOXDASSA-N 2 0 347.547 3.369 20 0 EGADRP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CCO1 ZINC000883387802 1302425632 /nfs/dbraw/zinc/42/56/32/1302425632.db2.gz FIECHEPXJOTDHY-PMPSAXMXSA-N 2 0 339.361 3.324 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)c1 ZINC000884190996 1302767929 /nfs/dbraw/zinc/76/79/29/1302767929.db2.gz SMYZOGFCPGLPHW-GOSISDBHSA-N 2 0 337.423 3.003 20 0 EGADRP Cc1c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)sc2nc(C)nc(C)c12 ZINC000768546317 1302932327 /nfs/dbraw/zinc/93/23/27/1302932327.db2.gz JCBFADOBUDHJIZ-OAHLLOKOSA-N 2 0 332.517 3.390 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000769513573 1303133438 /nfs/dbraw/zinc/13/34/38/1303133438.db2.gz BVYMIDMVXAOIRP-UHFFFAOYSA-N 2 0 346.515 3.287 20 0 EGADRP C1CC[NH+](C2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)CC1 ZINC000886012182 1303318007 /nfs/dbraw/zinc/31/80/07/1303318007.db2.gz BITYYWWSHOHPFV-JLAWEPINSA-N 2 0 336.520 3.101 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000886060124 1303341851 /nfs/dbraw/zinc/34/18/51/1303341851.db2.gz VBFWNNSMNMYVTI-CDFDFNMFSA-N 2 0 340.442 3.195 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000886081127 1303350217 /nfs/dbraw/zinc/35/02/17/1303350217.db2.gz JHEQMBMXAGXKMC-FYZZASKESA-N 2 0 346.515 3.023 20 0 EGADRP Cc1cc(C[NH+](C)[C@H]2CC[C@H]([N@H+](C)Cc3cc(C)no3)CC2)on1 ZINC000886389429 1303454003 /nfs/dbraw/zinc/45/40/03/1303454003.db2.gz JBUGKBSGQCOOGT-WKILWMFISA-N 2 0 332.448 3.154 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1 ZINC000886634930 1303534155 /nfs/dbraw/zinc/53/41/55/1303534155.db2.gz QSXSEYWQQJCTHE-UHFFFAOYSA-N 2 0 342.409 3.382 20 0 EGADRP CC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)C1 ZINC000773269729 1303652264 /nfs/dbraw/zinc/65/22/64/1303652264.db2.gz FITFWPIHEWODJG-SFHVURJKSA-N 2 0 337.552 3.282 20 0 EGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2cnn(C)c2)ccc1OC ZINC000775376482 1303948895 /nfs/dbraw/zinc/94/88/95/1303948895.db2.gz QYYOGNGBEZZIJY-MRXNPFEDSA-N 2 0 344.503 3.164 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)CCO)cc1C[NH+]1CCCCC1 ZINC000775392753 1303954793 /nfs/dbraw/zinc/95/47/93/1303954793.db2.gz AQSLHZRSMJBPDQ-IRXDYDNUSA-N 2 0 334.504 3.350 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CC2)cc1C[NH+]1CCCCC1 ZINC000775409700 1303959717 /nfs/dbraw/zinc/95/97/17/1303959717.db2.gz GIDSZVNURWWITI-OXQOHEQNSA-N 2 0 346.515 3.493 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(N[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000777584468 1304321602 /nfs/dbraw/zinc/32/16/02/1304321602.db2.gz YZZRXNIKRSALMJ-ZIFCJYIRSA-N 2 0 331.504 3.302 20 0 EGADRP C[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC[N@@H+]1C ZINC000777675981 1304333500 /nfs/dbraw/zinc/33/35/00/1304333500.db2.gz RIWRTEOZBXQORA-RDJZCZTQSA-N 2 0 348.510 3.251 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)o1 ZINC000781638670 1304852353 /nfs/dbraw/zinc/85/23/53/1304852353.db2.gz NQLIOONDKYZHSQ-HXUWFJFHSA-N 2 0 328.456 3.143 20 0 EGADRP Cc1ccc2cc(C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)ccc2n1 ZINC000782529383 1304986160 /nfs/dbraw/zinc/98/61/60/1304986160.db2.gz MFCDMKQTJPUTQR-FQEVSTJZSA-N 2 0 339.483 3.276 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782769956 1305010883 /nfs/dbraw/zinc/01/08/83/1305010883.db2.gz RPBIVVFADJUCTF-NRFANRHFSA-N 2 0 346.515 3.245 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000785441181 1305351434 /nfs/dbraw/zinc/35/14/34/1305351434.db2.gz GTWYQIOPMZOJQO-MRXNPFEDSA-N 2 0 341.540 3.344 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000892580133 1305450671 /nfs/dbraw/zinc/45/06/71/1305450671.db2.gz HBPAVGTWGNXNDD-MSOLQXFVSA-N 2 0 334.504 3.060 20 0 EGADRP CCOC(CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)OCC ZINC000786971058 1305670404 /nfs/dbraw/zinc/67/04/04/1305670404.db2.gz RPTMNVWOEYORSB-SJLPKXTDSA-N 2 0 326.525 3.408 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788507533 1305958554 /nfs/dbraw/zinc/95/85/54/1305958554.db2.gz PLMSFRUKRWQUCB-IAGOWNOFSA-N 2 0 341.540 3.342 20 0 EGADRP NC(=NOCC[NH+]1CCCCC1)c1ccccc1C[NH+]1CCCCC1 ZINC000789737854 1306208385 /nfs/dbraw/zinc/20/83/85/1306208385.db2.gz FURWNDHCIYGSPI-UHFFFAOYSA-N 2 0 344.503 3.005 20 0 EGADRP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000895075042 1309182346 /nfs/dbraw/zinc/18/23/46/1309182346.db2.gz PIKRKXQVUGQZKM-MVCQKVDPSA-N 2 0 336.520 3.493 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000896391023 1309837774 /nfs/dbraw/zinc/83/77/74/1309837774.db2.gz JGCUMSNTUSQOHX-UHFFFAOYSA-N 3 0 342.531 3.437 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795903960 1309857789 /nfs/dbraw/zinc/85/77/89/1309857789.db2.gz ROKPYAUKZDWUGG-IRXDYDNUSA-N 2 0 338.536 3.266 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000797958228 1310275631 /nfs/dbraw/zinc/27/56/31/1310275631.db2.gz IEYPNRIDCGUWBQ-UHFFFAOYSA-N 2 0 341.540 3.296 20 0 EGADRP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798087941 1310293715 /nfs/dbraw/zinc/29/37/15/1310293715.db2.gz AJSUZSSCZVCZNG-QGZVFWFLSA-N 2 0 339.524 3.288 20 0 EGADRP C[C@]1(CNC2CC[NH+](CC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798935246 1310460372 /nfs/dbraw/zinc/46/03/72/1310460372.db2.gz MEHXUBXJPPIIOQ-JOCHJYFZSA-N 2 0 341.543 3.363 20 0 EGADRP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000899173745 1310965479 /nfs/dbraw/zinc/96/54/79/1310965479.db2.gz DQYSKTHESYVISY-XTBIFASLSA-N 2 0 343.515 3.059 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)c1 ZINC000857902166 1328619931 /nfs/dbraw/zinc/61/99/31/1328619931.db2.gz PYIXMLHEJVQDNM-KRWDZBQOSA-N 2 0 345.874 3.453 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018966923 1316988169 /nfs/dbraw/zinc/98/81/69/1316988169.db2.gz XGKSZVMHDMZLIE-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001019094680 1317041161 /nfs/dbraw/zinc/04/11/61/1317041161.db2.gz HJSVDHCEXOFBND-WMZOPIPTSA-N 2 0 348.450 3.208 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CC3CCC(C)CC3)CC2)CC1 ZINC000957032001 1317139470 /nfs/dbraw/zinc/13/94/70/1317139470.db2.gz OLSWTIFCKGLELI-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019298093 1317152918 /nfs/dbraw/zinc/15/29/18/1317152918.db2.gz YQNTTWBPBDRERK-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)c1 ZINC000900652291 1317319338 /nfs/dbraw/zinc/31/93/38/1317319338.db2.gz LAVRIRCWGDOBTQ-SFHVURJKSA-N 2 0 331.504 3.016 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)CC1 ZINC000957647603 1317519010 /nfs/dbraw/zinc/51/90/10/1317519010.db2.gz OUPPRYYCFNVTSU-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)c1ccccc1 ZINC001020143997 1317559137 /nfs/dbraw/zinc/55/91/37/1317559137.db2.gz NJKUSQWBXUAARB-UAFMIMERSA-N 2 0 343.515 3.247 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001020151228 1317565021 /nfs/dbraw/zinc/56/50/21/1317565021.db2.gz POYWGWSVACEQOD-MUGJNUQGSA-N 2 0 347.547 3.068 20 0 EGADRP COc1ccc([C@H](NCCc2cccnc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000902513816 1317585326 /nfs/dbraw/zinc/58/53/26/1317585326.db2.gz OOERGNFXMFFIJR-UXHICEINSA-N 2 0 325.456 3.024 20 0 EGADRP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000902527242 1317588207 /nfs/dbraw/zinc/58/82/07/1317588207.db2.gz HDQXVZKUEKODOO-ZIFCJYIRSA-N 2 0 331.504 3.207 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1)C(C)C ZINC000957773030 1317637348 /nfs/dbraw/zinc/63/73/48/1317637348.db2.gz WACUNEXARCEEIO-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000903096455 1317651540 /nfs/dbraw/zinc/65/15/40/1317651540.db2.gz CSKHNNFYJMNLRI-BPZRQAJTSA-N 2 0 326.444 3.077 20 0 EGADRP CC(C)Oc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903099038 1317652745 /nfs/dbraw/zinc/65/27/45/1317652745.db2.gz XPTFHDJRIKKPPV-VZKPYBMVSA-N 2 0 344.499 3.255 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001020348711 1317653871 /nfs/dbraw/zinc/65/38/71/1317653871.db2.gz BAZPRUPJFZZBLX-FCGDIQPGSA-N 2 0 347.547 3.068 20 0 EGADRP c1ccc(C[NH+]2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903164262 1317666055 /nfs/dbraw/zinc/66/60/55/1317666055.db2.gz KHEPDRABZWHWIH-CLORWUCXSA-N 2 0 339.527 3.256 20 0 EGADRP c1cc([C@@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)ccn1 ZINC000903186450 1317670227 /nfs/dbraw/zinc/67/02/27/1317670227.db2.gz KRDLZOGNOPBQLU-DSLRARGZSA-N 2 0 327.472 3.049 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C)cc1C[NH+]1CCCCC1 ZINC000903322151 1317686711 /nfs/dbraw/zinc/68/67/11/1317686711.db2.gz MDJIQRDAHLCZPM-LPHOPBHVSA-N 2 0 331.504 3.036 20 0 EGADRP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)Cc1ccc(OC)cc1 ZINC000903723586 1317726071 /nfs/dbraw/zinc/72/60/71/1317726071.db2.gz IVQGYXZQXSJQGH-YLJYHZDGSA-N 2 0 346.515 3.107 20 0 EGADRP C[C@@H]1SCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903733454 1317726776 /nfs/dbraw/zinc/72/67/76/1317726776.db2.gz KLALLQMBWTYVAR-UHOSZYNNSA-N 2 0 346.540 3.324 20 0 EGADRP Fc1ccc(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903729185 1317726788 /nfs/dbraw/zinc/72/67/88/1317726788.db2.gz KJYAJVXKEOFLQH-IBGZPJMESA-N 2 0 332.463 3.164 20 0 EGADRP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000903759878 1317730704 /nfs/dbraw/zinc/73/07/04/1317730704.db2.gz STYHHRVJUODWOG-PBHICJAKSA-N 2 0 343.446 3.313 20 0 EGADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780763 1317731971 /nfs/dbraw/zinc/73/19/71/1317731971.db2.gz LDRJPTJZSCHZOL-LQWHRVPQSA-N 2 0 344.499 3.033 20 0 EGADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789637 1317734027 /nfs/dbraw/zinc/73/40/27/1317734027.db2.gz YSGGJEDURFSJHS-WTXIUTQJSA-N 2 0 328.447 3.043 20 0 EGADRP CCCCc1noc([C@H](C)[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903794510 1317736783 /nfs/dbraw/zinc/73/67/83/1317736783.db2.gz XZCAKZRGVGDKIF-INIZCTEOSA-N 2 0 342.487 3.466 20 0 EGADRP Cn1ccc(-c2nc(CN3CCCC[C@H]3C3(C[NH3+])CCC3)cs2)n1 ZINC000903811836 1317737086 /nfs/dbraw/zinc/73/70/86/1317737086.db2.gz OMGUANDATMIRFD-INIZCTEOSA-N 2 0 345.516 3.027 20 0 EGADRP Cn1ccc(-c2nc(CN3CCCC[C@@H]3C3(C[NH3+])CCC3)cs2)n1 ZINC000903811837 1317737139 /nfs/dbraw/zinc/73/71/39/1317737139.db2.gz OMGUANDATMIRFD-MRXNPFEDSA-N 2 0 345.516 3.027 20 0 EGADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000903885412 1317742340 /nfs/dbraw/zinc/74/23/40/1317742340.db2.gz HGDSXKGFNXZWMR-ICSRJNTNSA-N 2 0 339.487 3.320 20 0 EGADRP COc1cc(C[NH2+]CCC(C)(C)[NH3+])ccc1OCc1ccccc1 ZINC000903939147 1317751402 /nfs/dbraw/zinc/75/14/02/1317751402.db2.gz ROQXYTDJZYTKMZ-UHFFFAOYSA-N 2 0 328.456 3.491 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904371542 1317837292 /nfs/dbraw/zinc/83/72/92/1317837292.db2.gz QDFMLLOCPSBHRR-DLBZAZTESA-N 2 0 342.405 3.482 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1OCc1ccccc1 ZINC000904406012 1317843207 /nfs/dbraw/zinc/84/32/07/1317843207.db2.gz NKLWVZCJLXARRN-KRWDZBQOSA-N 2 0 340.467 3.445 20 0 EGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406689 1317843328 /nfs/dbraw/zinc/84/33/28/1317843328.db2.gz YLUCIZDLUQTCDD-MRXNPFEDSA-N 2 0 326.488 3.341 20 0 EGADRP CC(=O)Nc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000904412319 1317844620 /nfs/dbraw/zinc/84/46/20/1317844620.db2.gz SASYOZLHFMMRPO-SFHVURJKSA-N 2 0 329.488 3.247 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474617 1317851816 /nfs/dbraw/zinc/85/18/16/1317851816.db2.gz WBBREJKLLUTTMD-ICSRJNTNSA-N 2 0 340.471 3.118 20 0 EGADRP CC(C)(C)[C@H]([NH3+])Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904526837 1317857574 /nfs/dbraw/zinc/85/75/74/1317857574.db2.gz HGMCULHYOQBASU-MRXNPFEDSA-N 2 0 328.460 3.248 20 0 EGADRP C[C@@H]1C[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CC[NH2+]1 ZINC000904576041 1317865356 /nfs/dbraw/zinc/86/53/56/1317865356.db2.gz HKSZLCRYMAIVMW-RHSMWYFYSA-N 2 0 326.444 3.188 20 0 EGADRP CC(C)([NH3+])c1ccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000904604347 1317868959 /nfs/dbraw/zinc/86/89/59/1317868959.db2.gz QGRRXHLEGLDRJL-UHFFFAOYSA-N 2 0 344.503 3.124 20 0 EGADRP C[C@@](O)(C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C(F)F ZINC000905076571 1317919619 /nfs/dbraw/zinc/91/96/19/1317919619.db2.gz QKEZDYVZHRYZJS-GOSISDBHSA-N 2 0 326.431 3.168 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC001020818017 1317947245 /nfs/dbraw/zinc/94/72/45/1317947245.db2.gz GFDNUADNCXNCOJ-MUGJNUQGSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020927680 1318001349 /nfs/dbraw/zinc/00/13/49/1318001349.db2.gz OBRDFXXQZMZQEA-WTGUMLROSA-N 2 0 347.547 3.234 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000906885293 1318160464 /nfs/dbraw/zinc/16/04/64/1318160464.db2.gz JTTJDZMKBSZDRV-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCCC2)C1 ZINC001021460501 1318264658 /nfs/dbraw/zinc/26/46/58/1318264658.db2.gz CCBZLFNPKTYBRD-XUBOLADHSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960026386 1318318958 /nfs/dbraw/zinc/31/89/58/1318318958.db2.gz ANDQYZWKXXOVOP-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960032342 1318320796 /nfs/dbraw/zinc/32/07/96/1318320796.db2.gz FHWMFWPFQYZOGH-MSOLQXFVSA-N 2 0 349.544 3.093 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC000960102074 1318357551 /nfs/dbraw/zinc/35/75/51/1318357551.db2.gz LVVGPOZEZPQJHW-IHPCNDPISA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960271816 1318437873 /nfs/dbraw/zinc/43/78/73/1318437873.db2.gz VTLDCSHBVHKFET-FBBABVLZSA-N 2 0 343.515 3.030 20 0 EGADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000909601330 1318499496 /nfs/dbraw/zinc/49/94/96/1318499496.db2.gz PCYWHRCMKZGHKL-UHFFFAOYSA-N 2 0 329.488 3.260 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681911 1318552977 /nfs/dbraw/zinc/55/29/77/1318552977.db2.gz KCGZABKCPULUAT-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705965 1318578596 /nfs/dbraw/zinc/57/85/96/1318578596.db2.gz HQQQIGAYNULPIJ-UXHICEINSA-N 2 0 349.563 3.076 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](CC)C[C@H]2C)cc1)C(C)C ZINC000910289194 1318600432 /nfs/dbraw/zinc/60/04/32/1318600432.db2.gz QLAQIARODCDQCJ-GOSISDBHSA-N 2 0 345.531 3.473 20 0 EGADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1ccc(C[NH+]2CCCCC2)o1 ZINC000911789023 1318768029 /nfs/dbraw/zinc/76/80/29/1318768029.db2.gz GXBNKNOAHUUDKB-UHFFFAOYSA-N 2 0 339.439 3.164 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022070263 1318787700 /nfs/dbraw/zinc/78/77/00/1318787700.db2.gz TYIRPINWKSJXRK-OTWHNJEPSA-N 2 0 349.563 3.312 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022071563 1318788708 /nfs/dbraw/zinc/78/87/08/1318788708.db2.gz TYVLJORJSXKZGK-XSYGEPLQSA-N 2 0 343.515 3.166 20 0 EGADRP CCc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC000960709403 1318811353 /nfs/dbraw/zinc/81/13/53/1318811353.db2.gz KTAFXPDFRMAQLM-WOJBJXKFSA-N 2 0 345.531 3.012 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2)CC1CCCCC1 ZINC000960731524 1318832853 /nfs/dbraw/zinc/83/28/53/1318832853.db2.gz VZNVFQHVRIJHIF-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCC2)CC[N@@H+]1C ZINC000960822808 1318947882 /nfs/dbraw/zinc/94/78/82/1318947882.db2.gz NEKWKAGGTVSKFJ-IHPCNDPISA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022585542 1319005728 /nfs/dbraw/zinc/00/57/28/1319005728.db2.gz QKKHGHGQVBGHQN-WKXIVMOISA-N 2 0 349.563 3.172 20 0 EGADRP CSc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000815659696 1319038788 /nfs/dbraw/zinc/03/87/88/1319038788.db2.gz INAYYERGVJBANL-PHSGOXPASA-N 2 0 333.545 3.226 20 0 EGADRP C[N@H+](C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)CC1CCCCC1 ZINC000960916706 1319062634 /nfs/dbraw/zinc/06/26/34/1319062634.db2.gz NQKHTSFMOQLSCV-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)cc1 ZINC001022856150 1319138082 /nfs/dbraw/zinc/13/80/82/1319138082.db2.gz WQOYOHSGBOPRAD-KDURUIRLSA-N 2 0 343.515 3.035 20 0 EGADRP C[N@H+](C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031586 1319156335 /nfs/dbraw/zinc/15/63/35/1319156335.db2.gz ZQKPPQASLTYAID-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001022921928 1319171775 /nfs/dbraw/zinc/17/17/75/1319171775.db2.gz UVQBQYHAWPINCX-BGYRXZFFSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022975520 1319198313 /nfs/dbraw/zinc/19/83/13/1319198313.db2.gz NPAKPOFWZYTJPX-ZRNYENFQSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023125524 1319274762 /nfs/dbraw/zinc/27/47/62/1319274762.db2.gz RZMLZXAFGSLRBV-RWQQGDIJSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961157797 1319279661 /nfs/dbraw/zinc/27/96/61/1319279661.db2.gz OEZJLTLSGRZUHZ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961279000 1319435060 /nfs/dbraw/zinc/43/50/60/1319435060.db2.gz ZPWVNZOLSCJPGV-WOJBJXKFSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817894817 1319453965 /nfs/dbraw/zinc/45/39/65/1319453965.db2.gz QDVGWETYHHLUDS-XUVXKRRUSA-N 2 0 326.440 3.242 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000817922685 1319462104 /nfs/dbraw/zinc/46/21/04/1319462104.db2.gz KBIAYUVZSAXTTO-SGTLLEGYSA-N 2 0 333.863 3.060 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817965654 1319479257 /nfs/dbraw/zinc/47/92/57/1319479257.db2.gz YWUOFZIWERPYBV-SNVBAGLBSA-N 2 0 330.245 3.024 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)nc1 ZINC000817968777 1319480862 /nfs/dbraw/zinc/48/08/62/1319480862.db2.gz MJQQKSFUEZQGNA-LLVKDONJSA-N 2 0 332.245 3.298 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023402987 1319509549 /nfs/dbraw/zinc/50/95/49/1319509549.db2.gz XXTDEEGKUIZLSQ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413925 1319516657 /nfs/dbraw/zinc/51/66/57/1319516657.db2.gz KYBCLUCJNGLNKZ-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)c2cc1C ZINC000818340425 1319530445 /nfs/dbraw/zinc/53/04/45/1319530445.db2.gz MJIQXHGTVAUHQJ-MRXNPFEDSA-N 2 0 340.467 3.374 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961378550 1319537001 /nfs/dbraw/zinc/53/70/01/1319537001.db2.gz OGEOBOQICZPEPZ-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP O=C(NC[C@H]1CCC[N@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466862 1319565704 /nfs/dbraw/zinc/56/57/04/1319565704.db2.gz QBRAORIVGFFHPV-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961411842 1319569056 /nfs/dbraw/zinc/56/90/56/1319569056.db2.gz PEPDAZMRNHYSTC-AZUAARDMSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000818961180 1319591885 /nfs/dbraw/zinc/59/18/85/1319591885.db2.gz NYGOZFQDOLSSIV-CLCXKQKWSA-N 2 0 340.458 3.346 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000819101816 1319635232 /nfs/dbraw/zinc/63/52/32/1319635232.db2.gz FHARGTZZQAZVQI-IUODEOHRSA-N 2 0 343.309 3.048 20 0 EGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819353304 1319708263 /nfs/dbraw/zinc/70/82/63/1319708263.db2.gz BBUJVPZJAKHPOH-KRWDZBQOSA-N 2 0 342.405 3.345 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000961923817 1319774943 /nfs/dbraw/zinc/77/49/43/1319774943.db2.gz ISJAILOFQVBOGN-MHJFOBGBSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000917394847 1319799031 /nfs/dbraw/zinc/79/90/31/1319799031.db2.gz ROVRTYITHJFYRR-UHFFFAOYSA-N 2 0 337.511 3.469 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023762117 1319908113 /nfs/dbraw/zinc/90/81/13/1319908113.db2.gz RNIHLXGNGNGMPB-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770468 1319920545 /nfs/dbraw/zinc/92/05/45/1319920545.db2.gz ZZXXMBAWXZQRMR-KRWDZBQOSA-N 2 0 349.519 3.363 20 0 EGADRP ClC1(Cl)C[C@H]1CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000822833256 1320127748 /nfs/dbraw/zinc/12/77/48/1320127748.db2.gz ZMIHZFSJTCBNBC-MRXNPFEDSA-N 2 0 349.346 3.395 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000823408833 1320176757 /nfs/dbraw/zinc/17/67/57/1320176757.db2.gz RIUDTGABUASYMY-DLBZAZTESA-N 2 0 341.540 3.057 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000823762235 1320204264 /nfs/dbraw/zinc/20/42/64/1320204264.db2.gz IESUULKFSTUMIQ-VLGSPTGOSA-N 2 0 327.516 3.238 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1)C(C)C ZINC000827329481 1320444454 /nfs/dbraw/zinc/44/44/54/1320444454.db2.gz GWBVZADQXRWAJN-PMACEKPBSA-N 2 0 343.515 3.083 20 0 EGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930545563 1328892032 /nfs/dbraw/zinc/89/20/32/1328892032.db2.gz NVKLPEAFJNRPMS-IRXDYDNUSA-N 2 0 347.503 3.116 20 0 EGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2CCC(C)(C)C2=O)CC1 ZINC000839988728 1321009559 /nfs/dbraw/zinc/00/95/59/1321009559.db2.gz XMOVZGGWTDMNAB-UHFFFAOYSA-N 2 0 343.515 3.046 20 0 EGADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1OC(=O)CC ZINC000840953748 1321185507 /nfs/dbraw/zinc/18/55/07/1321185507.db2.gz YIZZAHOIWFHYFG-MRXNPFEDSA-N 2 0 348.487 3.222 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000841031930 1321204473 /nfs/dbraw/zinc/20/44/73/1321204473.db2.gz CHYUAPSMGVZJHL-UHFFFAOYSA-N 2 0 338.373 3.419 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000841318302 1321255106 /nfs/dbraw/zinc/25/51/06/1321255106.db2.gz WHHAYLWYRXUPNS-UHFFFAOYSA-N 2 0 344.503 3.325 20 0 EGADRP O[C@@H](C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1ccsc1 ZINC000842473116 1321393522 /nfs/dbraw/zinc/39/35/22/1321393522.db2.gz POEDLDJCQPUKIV-LPHOPBHVSA-N 2 0 330.497 3.283 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC12CCOCC2 ZINC000843124853 1321473594 /nfs/dbraw/zinc/47/35/94/1321473594.db2.gz JKFFDKGXABVDIB-CQSZACIVSA-N 2 0 342.455 3.189 20 0 EGADRP CC(C)[C@@H]([NH3+])c1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000843152136 1321479479 /nfs/dbraw/zinc/47/94/79/1321479479.db2.gz QJHLXWYTKGDFAK-GDBMZVCRSA-N 2 0 332.423 3.244 20 0 EGADRP CC(C)[C@@H]([NH3+])c1noc(-c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000843153913 1321479519 /nfs/dbraw/zinc/47/95/19/1321479519.db2.gz PWQYMEMSRWTGHD-JKIFEVAISA-N 2 0 344.459 3.002 20 0 EGADRP Fc1cc(Br)ccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843340482 1321501979 /nfs/dbraw/zinc/50/19/79/1321501979.db2.gz MZOUYEVYAYLYJL-KCQAQPDRSA-N 2 0 341.268 3.108 20 0 EGADRP O[C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000843339716 1321502379 /nfs/dbraw/zinc/50/23/79/1321502379.db2.gz GNOODGMFOSPQQW-POHUPDAJSA-N 2 0 336.479 3.439 20 0 EGADRP O[C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000843339714 1321502402 /nfs/dbraw/zinc/50/24/02/1321502402.db2.gz GNOODGMFOSPQQW-LMYCIYFBSA-N 2 0 336.479 3.439 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000843352374 1321504086 /nfs/dbraw/zinc/50/40/86/1321504086.db2.gz FNQNTTDSPDSDRH-IBGZPJMESA-N 2 0 343.515 3.039 20 0 EGADRP CC[NH2+]CC1CC[NH+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000843352377 1321504170 /nfs/dbraw/zinc/50/41/70/1321504170.db2.gz FNQNTTDSPDSDRH-LJQANCHMSA-N 2 0 343.515 3.039 20 0 EGADRP C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1CCC([NH3+])CC1 ZINC000843355748 1321505002 /nfs/dbraw/zinc/50/50/02/1321505002.db2.gz WIJBPBLFNWMTPF-UHFFFAOYSA-N 2 0 334.851 3.134 20 0 EGADRP O[C@@H](c1ccc(F)cc1)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000843358108 1321506036 /nfs/dbraw/zinc/50/60/36/1321506036.db2.gz BQNSVUKPBKXKJI-FQEVSTJZSA-N 2 0 334.479 3.351 20 0 EGADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000843361284 1321506061 /nfs/dbraw/zinc/50/60/61/1321506061.db2.gz CPYQJFIMIOGQNW-ALOPSCKCSA-N 2 0 326.444 3.013 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000844188573 1321577497 /nfs/dbraw/zinc/57/74/97/1321577497.db2.gz WSDMLNOXPCACMN-SCLBCKFNSA-N 2 0 329.419 3.162 20 0 EGADRP CC[N@H+](CCCNC(=O)CCCn1ccnc1C)C1CCCCC1 ZINC000844780185 1321645677 /nfs/dbraw/zinc/64/56/77/1321645677.db2.gz UWFNTTCDZASTKO-UHFFFAOYSA-N 2 0 334.508 3.133 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000846224838 1321777858 /nfs/dbraw/zinc/77/78/58/1321777858.db2.gz AVYDQODZNHCXEU-OAHLLOKOSA-N 2 0 331.504 3.372 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])c2cc1C ZINC000846225462 1321778225 /nfs/dbraw/zinc/77/82/25/1321778225.db2.gz BTOACIOSDSPBTP-FZKQIMNGSA-N 2 0 328.456 3.359 20 0 EGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NCC3CC[NH+](C)CC3)cc2)C1 ZINC000846747738 1321804132 /nfs/dbraw/zinc/80/41/32/1321804132.db2.gz VDNWPWZMVUAWEX-QGZVFWFLSA-N 2 0 331.504 3.161 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2nonc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846848943 1321816408 /nfs/dbraw/zinc/81/64/08/1321816408.db2.gz QHWFVKWOZJDJDY-CRAIPNDOSA-N 2 0 336.439 3.223 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc1 ZINC000847546731 1321878254 /nfs/dbraw/zinc/87/82/54/1321878254.db2.gz MLGOFBSMRWQIRQ-UHFFFAOYSA-N 2 0 343.446 3.244 20 0 EGADRP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000848894595 1322034638 /nfs/dbraw/zinc/03/46/38/1322034638.db2.gz NMGXZFRIKMISEA-PIIXRYACSA-N 2 0 348.487 3.314 20 0 EGADRP CC(C)c1ccccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000848911519 1322043369 /nfs/dbraw/zinc/04/33/69/1322043369.db2.gz WGYKGAVCQMEUGW-UHFFFAOYSA-N 2 0 329.532 3.269 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCc1ccccc1OC)CC(C)C ZINC000849054369 1322060700 /nfs/dbraw/zinc/06/07/00/1322060700.db2.gz IJBRUAOEMZMNSA-QGZVFWFLSA-N 2 0 334.508 3.066 20 0 EGADRP C[C@H](CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000849102775 1322079147 /nfs/dbraw/zinc/07/91/47/1322079147.db2.gz UOOJBIRILIEQRO-GHMZBOCLSA-N 2 0 331.291 3.366 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000849103140 1322079499 /nfs/dbraw/zinc/07/94/99/1322079499.db2.gz ILVXKTACWXUDKK-UHFFFAOYSA-N 2 0 330.520 3.367 20 0 EGADRP CC1(C)CC(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849106479 1322080036 /nfs/dbraw/zinc/08/00/36/1322080036.db2.gz RHGCXPFUZSDMDM-UHFFFAOYSA-N 2 0 328.504 3.201 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000849113660 1322083129 /nfs/dbraw/zinc/08/31/29/1322083129.db2.gz ZFTXFINAECHNDH-RBSFLKMASA-N 2 0 334.895 3.184 20 0 EGADRP CC(C)[C@@H]1C[C@H]1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849115029 1322084235 /nfs/dbraw/zinc/08/42/35/1322084235.db2.gz BSLCUKFQKNHGPD-HKUYNNGSSA-N 2 0 328.504 3.057 20 0 EGADRP CCOC(=O)NC1CCC([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000850424381 1322245321 /nfs/dbraw/zinc/24/53/21/1322245321.db2.gz JKHOMJHSOLAOAF-VYMRPNJYSA-N 2 0 339.524 3.001 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@@H](C)C1 ZINC000850522838 1322260682 /nfs/dbraw/zinc/26/06/82/1322260682.db2.gz NPKYRNHXBJAFBA-HOTGVXAUSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751422 1322391905 /nfs/dbraw/zinc/39/19/05/1322391905.db2.gz XGSPRYRHOXLBLV-OXJNMPFZSA-N 2 0 337.467 3.017 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1C ZINC000922389408 1322516646 /nfs/dbraw/zinc/51/66/46/1322516646.db2.gz UJFBMTUADARJMO-NCYKPQTJSA-N 2 0 330.516 3.181 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000922847508 1322631675 /nfs/dbraw/zinc/63/16/75/1322631675.db2.gz SCZYFXYTBVFXES-BFHRDPOASA-N 2 0 335.517 3.491 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000922845157 1322631956 /nfs/dbraw/zinc/63/19/56/1322631956.db2.gz MMGTWZTXHATCMP-UHFFFAOYSA-N 2 0 347.469 3.400 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000923384028 1322743869 /nfs/dbraw/zinc/74/38/69/1322743869.db2.gz QTSRIVFWFSLIOR-UTKZUKDTSA-N 2 0 338.495 3.207 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1)C1CCCC1 ZINC000923423520 1322748911 /nfs/dbraw/zinc/74/89/11/1322748911.db2.gz XIHARZROWQGTOF-BEVDRBHNSA-N 2 0 334.479 3.479 20 0 EGADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000923444976 1322752627 /nfs/dbraw/zinc/75/26/27/1322752627.db2.gz IXZGXYBPTYKPPR-MRXNPFEDSA-N 2 0 343.496 3.140 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000923483802 1322760123 /nfs/dbraw/zinc/76/01/23/1322760123.db2.gz DECIKMLUMNUJOJ-KRWDZBQOSA-N 2 0 349.478 3.121 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000923490785 1322760658 /nfs/dbraw/zinc/76/06/58/1322760658.db2.gz IWRKXVKNPZAOFK-JTQLQIEISA-N 2 0 349.219 3.221 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000923489607 1322760856 /nfs/dbraw/zinc/76/08/56/1322760856.db2.gz PWHQGLGHLCDILH-KRWDZBQOSA-N 2 0 329.488 3.023 20 0 EGADRP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504351 1322764808 /nfs/dbraw/zinc/76/48/08/1322764808.db2.gz QSDZVJXQSVWDPB-RVKKMQEKSA-N 2 0 325.456 3.084 20 0 EGADRP O[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)c1ccc(F)cc1F ZINC000923505758 1322764843 /nfs/dbraw/zinc/76/48/43/1322764843.db2.gz FRGZCRJAPCCXFW-IFXJQAMLSA-N 2 0 338.442 3.100 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001023984729 1323064788 /nfs/dbraw/zinc/06/47/88/1323064788.db2.gz JKBNEPSMAWYFMQ-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)c1 ZINC000924609805 1323073022 /nfs/dbraw/zinc/07/30/22/1323073022.db2.gz XFRFIAXCAKMGHZ-UHFFFAOYSA-N 2 0 347.503 3.141 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024010780 1323078088 /nfs/dbraw/zinc/07/80/88/1323078088.db2.gz XEPQJOZZJPGMHA-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC1CCC(C[NH2+]C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001024018080 1323080421 /nfs/dbraw/zinc/08/04/21/1323080421.db2.gz KEEHVMKAXMTBCI-ACBHZAAOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924622682 1323081035 /nfs/dbraw/zinc/08/10/35/1323081035.db2.gz AHIFETQORKSWGP-INIZCTEOSA-N 2 0 335.455 3.180 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024047439 1323096856 /nfs/dbraw/zinc/09/68/56/1323096856.db2.gz SVGNGIDIMAHBOP-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CON1CCC([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000924670411 1323104954 /nfs/dbraw/zinc/10/49/54/1323104954.db2.gz ZYFKLDQNEWDVAS-KRWDZBQOSA-N 2 0 331.504 3.034 20 0 EGADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000924674812 1323107444 /nfs/dbraw/zinc/10/74/44/1323107444.db2.gz NPBBBGRKBNXDMW-PXNSSMCTSA-N 2 0 343.515 3.065 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924684661 1323113018 /nfs/dbraw/zinc/11/30/18/1323113018.db2.gz MDPWFXKSQDCNIU-IZZBFERCSA-N 2 0 346.563 3.479 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001024090137 1323123026 /nfs/dbraw/zinc/12/30/26/1323123026.db2.gz DIRPBRIVMVXADY-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001024212865 1323209467 /nfs/dbraw/zinc/20/94/67/1323209467.db2.gz UKCCWAGBICWQOW-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852745423 1323234808 /nfs/dbraw/zinc/23/48/08/1323234808.db2.gz UYFNQLJINKWIJG-FGZHOGPDSA-N 2 0 336.479 3.420 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000853062132 1323271683 /nfs/dbraw/zinc/27/16/83/1323271683.db2.gz JLNOYZFOYDUFGI-LAUBAEHRSA-N 2 0 339.483 3.279 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@H](O)c3ccccn3)c2)CC1 ZINC000853097709 1323280492 /nfs/dbraw/zinc/28/04/92/1323280492.db2.gz HDSXIKSCPRMDRR-NRFANRHFSA-N 2 0 339.483 3.137 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501626 1323449316 /nfs/dbraw/zinc/44/93/16/1323449316.db2.gz GGPNGQWQGOYCHR-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535629 1323476530 /nfs/dbraw/zinc/47/65/30/1323476530.db2.gz VMAKOUOHCSPLJY-KRWDZBQOSA-N 2 0 342.487 3.355 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC(C)C)C1 ZINC001024614043 1323543124 /nfs/dbraw/zinc/54/31/24/1323543124.db2.gz FOVCXCLDZKZEOI-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618861 1323547389 /nfs/dbraw/zinc/54/73/89/1323547389.db2.gz ZDXMJMDQWUFUPJ-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024812196 1323715269 /nfs/dbraw/zinc/71/52/69/1323715269.db2.gz KCHBLGYAJPCIJE-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001024902721 1323773083 /nfs/dbraw/zinc/77/30/83/1323773083.db2.gz YUABMCGFUHLNCY-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001024999035 1323817492 /nfs/dbraw/zinc/81/74/92/1323817492.db2.gz PUFZRVPPPCRXRR-WOJBJXKFSA-N 2 0 345.531 3.114 20 0 EGADRP COc1ccccc1-c1nc(CN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cs1 ZINC000931432595 1329115681 /nfs/dbraw/zinc/11/56/81/1329115681.db2.gz WRBGBCPHBXLBKC-LSDHHAIUSA-N 2 0 343.496 3.202 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001025038382 1323842250 /nfs/dbraw/zinc/84/22/50/1323842250.db2.gz VVSQLEOKPDBHTA-IBGZPJMESA-N 2 0 347.547 3.332 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001025088034 1323885864 /nfs/dbraw/zinc/88/58/64/1323885864.db2.gz PUFZRVPPPCRXRR-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025104820 1323896533 /nfs/dbraw/zinc/89/65/33/1323896533.db2.gz HMFAFXKGLIKEHB-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240864 1324034834 /nfs/dbraw/zinc/03/48/34/1324034834.db2.gz RRCMBFXJLZHWAT-OALUTQOASA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279535 1324102290 /nfs/dbraw/zinc/10/22/90/1324102290.db2.gz DDUZLFDXFOTTQM-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453697 1324294768 /nfs/dbraw/zinc/29/47/68/1324294768.db2.gz SUKBDFUHXFAYQP-MOPGFXCFSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025485495 1324334385 /nfs/dbraw/zinc/33/43/85/1324334385.db2.gz NVUNJDMHYPZPIH-SJORKVTESA-N 2 0 340.471 3.131 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001025630760 1324482871 /nfs/dbraw/zinc/48/28/71/1324482871.db2.gz VRUTXLNJOJSGAQ-IAGOWNOFSA-N 2 0 349.519 3.360 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026503236 1324853372 /nfs/dbraw/zinc/85/33/72/1324853372.db2.gz OPMZFTZTEZPRPF-MHJFOBGBSA-N 2 0 343.515 3.078 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000925153223 1325067477 /nfs/dbraw/zinc/06/74/77/1325067477.db2.gz WTJBJLXOXJHVEZ-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000925242228 1325092814 /nfs/dbraw/zinc/09/28/14/1325092814.db2.gz YJIFMZSVPRFTRG-RDJZCZTQSA-N 2 0 331.460 3.349 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347066 1325137679 /nfs/dbraw/zinc/13/76/79/1325137679.db2.gz NOUYAGKYSFUBMX-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925438334 1325150435 /nfs/dbraw/zinc/15/04/35/1325150435.db2.gz XIELEGGXODCMKW-KURKYZTESA-N 2 0 348.531 3.454 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000925503312 1325180909 /nfs/dbraw/zinc/18/09/09/1325180909.db2.gz MTSYLRVEFUTYGK-MYMYQCDVSA-N 2 0 348.918 3.494 20 0 EGADRP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925558163 1325208556 /nfs/dbraw/zinc/20/85/56/1325208556.db2.gz NZLYOHZOVQUBPL-VQTJNVASSA-N 2 0 342.531 3.330 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000925588179 1325222616 /nfs/dbraw/zinc/22/26/16/1325222616.db2.gz OOYLNGOKRUWHKI-HOJAQTOUSA-N 2 0 332.536 3.089 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000925589587 1325223501 /nfs/dbraw/zinc/22/35/01/1325223501.db2.gz ZJQXDGDHOGUKDZ-QZTJIDSGSA-N 2 0 341.503 3.286 20 0 EGADRP COC(=O)Nc1cccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925672083 1325257265 /nfs/dbraw/zinc/25/72/65/1325257265.db2.gz TWVZTLXUZMIJIZ-SFHVURJKSA-N 2 0 327.428 3.435 20 0 EGADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000925741917 1325278741 /nfs/dbraw/zinc/27/87/41/1325278741.db2.gz WVRLRSPXAKGMNN-CQSZACIVSA-N 2 0 338.517 3.181 20 0 EGADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925807951 1325309554 /nfs/dbraw/zinc/30/95/54/1325309554.db2.gz IRPOOMBCEINTHE-OAQYLSRUSA-N 2 0 339.458 3.008 20 0 EGADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000925827867 1325318500 /nfs/dbraw/zinc/31/85/00/1325318500.db2.gz UXQIQMANISOJJL-SGMGOOAPSA-N 2 0 325.250 3.132 20 0 EGADRP Cc1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000926125075 1325438527 /nfs/dbraw/zinc/43/85/27/1325438527.db2.gz JYLPASXEVJGJRZ-RTWAWAEBSA-N 2 0 336.479 3.339 20 0 EGADRP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926172279 1325457016 /nfs/dbraw/zinc/45/70/16/1325457016.db2.gz TYXWGCQVUYQASO-DNVCBOLYSA-N 2 0 349.494 3.103 20 0 EGADRP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926200756 1325467428 /nfs/dbraw/zinc/46/74/28/1325467428.db2.gz UZPPTTQVICKTPX-CABCVRRESA-N 2 0 335.492 3.312 20 0 EGADRP C/C=C\C[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926200826 1325467966 /nfs/dbraw/zinc/46/79/66/1325467966.db2.gz JZLVUQYGXJMTIG-UTRMAOJVSA-N 2 0 328.500 3.489 20 0 EGADRP COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926214990 1325474538 /nfs/dbraw/zinc/47/45/38/1325474538.db2.gz SZMWBUJYJYSZKS-HOTGVXAUSA-N 2 0 347.503 3.266 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000964436278 1325524929 /nfs/dbraw/zinc/52/49/29/1325524929.db2.gz APNHRDGKWVRREZ-SOAGJPPSSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926377544 1325533052 /nfs/dbraw/zinc/53/30/52/1325533052.db2.gz KNYCYHPKFOWHOK-KRWDZBQOSA-N 2 0 339.483 3.275 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)CC[N@@H+]1C ZINC000857136037 1325578463 /nfs/dbraw/zinc/57/84/63/1325578463.db2.gz ZLTYBUHBZSYORS-UXPWSPDFSA-N 2 0 343.515 3.051 20 0 EGADRP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926535600 1325589198 /nfs/dbraw/zinc/58/91/98/1325589198.db2.gz BZXSSGWNSICGJD-QSFXBCCZSA-N 2 0 342.487 3.053 20 0 EGADRP COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926671759 1327659823 /nfs/dbraw/zinc/65/98/23/1327659823.db2.gz CJFDDHIBCDJMFR-MRXNPFEDSA-N 2 0 340.467 3.315 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1cn(C)cn1 ZINC000926791006 1327719730 /nfs/dbraw/zinc/71/97/30/1327719730.db2.gz NTBLULUIMDCOQM-KRWDZBQOSA-N 2 0 326.488 3.373 20 0 EGADRP C[N@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027479414 1327733185 /nfs/dbraw/zinc/73/31/85/1327733185.db2.gz GDDWKSCJVWTMKN-GOSISDBHSA-N 2 0 340.471 3.061 20 0 EGADRP Cc1c(Br)cccc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000926909457 1327770129 /nfs/dbraw/zinc/77/01/29/1327770129.db2.gz CDNBEEXLASZJLP-WFASDCNBSA-N 2 0 325.294 3.372 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926922239 1327777795 /nfs/dbraw/zinc/77/77/95/1327777795.db2.gz OIHHJZFDMFEFLX-WMLDXEAASA-N 2 0 343.437 3.426 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001027578533 1327912772 /nfs/dbraw/zinc/91/27/72/1327912772.db2.gz MZQFTZHLEAOWCV-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CCc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001027578180 1327915041 /nfs/dbraw/zinc/91/50/41/1327915041.db2.gz FVLGJQCOAIRETB-UXHICEINSA-N 2 0 345.531 3.012 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027602142 1327954757 /nfs/dbraw/zinc/95/47/57/1327954757.db2.gz MDBWADLJTMJCOL-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC)C2 ZINC000965814631 1328036917 /nfs/dbraw/zinc/03/69/17/1328036917.db2.gz NKPSYYOKNQVUQF-WZXTXQKWSA-N 2 0 335.536 3.068 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027693498 1328098031 /nfs/dbraw/zinc/09/80/31/1328098031.db2.gz CMPLFWCLUSQNRC-RBUKOAKNSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@H+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694487 1328100713 /nfs/dbraw/zinc/10/07/13/1328100713.db2.gz ZZFZJVPYYVYJSV-GOSISDBHSA-N 2 0 349.544 3.047 20 0 EGADRP CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027700292 1328116159 /nfs/dbraw/zinc/11/61/59/1328116159.db2.gz UJLQYFWBNPRTCO-INIZCTEOSA-N 2 0 335.492 3.068 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000928004258 1328166634 /nfs/dbraw/zinc/16/66/34/1328166634.db2.gz DCVPEBGTCYZRJJ-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966076847 1328171186 /nfs/dbraw/zinc/17/11/86/1328171186.db2.gz ODCLTHCFOCTCGO-MSOLQXFVSA-N 2 0 335.536 3.044 20 0 EGADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cnn([C@@H]4CCCCO4)c3)cc2)CC1 ZINC000863729244 1329578297 /nfs/dbraw/zinc/57/82/97/1329578297.db2.gz ZSEITXSLUFVTDG-FQEVSTJZSA-N 2 0 340.471 3.172 20 0 EGADRP Cn1ncc(Cl)c1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718214 1329732116 /nfs/dbraw/zinc/73/21/16/1329732116.db2.gz VMVGKUKBYBAHIP-UHFFFAOYSA-N 2 0 346.906 3.465 20 0 EGADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000865717269 1329732161 /nfs/dbraw/zinc/73/21/61/1329732161.db2.gz VJNMOTZRILDORP-UHFFFAOYSA-N 2 0 336.549 3.212 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@@H]1C ZINC000933368099 1329883409 /nfs/dbraw/zinc/88/34/09/1329883409.db2.gz IPRPOENIYVGNKF-IRXDYDNUSA-N 2 0 347.503 3.210 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cc1C[NH+]1CCCCC1 ZINC000866415884 1330109113 /nfs/dbraw/zinc/10/91/13/1330109113.db2.gz HHLDXHFUEUCHKN-TXPKVOOTSA-N 2 0 332.488 3.103 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)OCCO1 ZINC000866423955 1330109776 /nfs/dbraw/zinc/10/97/76/1330109776.db2.gz BINSHPKUPPUUTF-CMKODMSKSA-N 2 0 346.515 3.276 20 0 EGADRP C[C@H](Cc1cnccn1)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866469499 1330116503 /nfs/dbraw/zinc/11/65/03/1330116503.db2.gz JBSHQEUGXJNULM-GOSISDBHSA-N 2 0 338.499 3.300 20 0 EGADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)CC2(C)C)ccc2c[nH+]cn21 ZINC000940853769 1331221932 /nfs/dbraw/zinc/22/19/32/1331221932.db2.gz TVCLFVUXUVYCKZ-GOSISDBHSA-N 2 0 342.487 3.129 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102370 1331831443 /nfs/dbraw/zinc/83/14/43/1331831443.db2.gz XVPBETRSECRWBB-NVXWUHKLSA-N 2 0 349.544 3.216 20 0 EGADRP C[C@H]1C[N@H+](CCC2=CCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598361 1331996474 /nfs/dbraw/zinc/99/64/74/1331996474.db2.gz WNGWAHVVSCLOMX-FXAWDEMLSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631447 1332866640 /nfs/dbraw/zinc/86/66/40/1332866640.db2.gz IHVODWBBEGZXMC-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310178 1333084863 /nfs/dbraw/zinc/08/48/63/1333084863.db2.gz MSGISMJWUFZVIG-ZWKOTPCHSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC000947685291 1333222543 /nfs/dbraw/zinc/22/25/43/1333222543.db2.gz MJPOMWGFRAJPKM-FXAWDEMLSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799760 1333265833 /nfs/dbraw/zinc/26/58/33/1333265833.db2.gz CORHQFOKDBZRQH-APWZRJJASA-N 2 0 331.504 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000947851803 1333279315 /nfs/dbraw/zinc/27/93/15/1333279315.db2.gz ANDRPKXSDPLLIM-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947907268 1333301220 /nfs/dbraw/zinc/30/12/20/1333301220.db2.gz FXMLUGCGLAILBC-YLJYHZDGSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCC1CCCC1 ZINC000947934535 1333311182 /nfs/dbraw/zinc/31/11/82/1333311182.db2.gz KYMSJOPDUYIQJG-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC1CCCCCC1 ZINC000947933960 1333311627 /nfs/dbraw/zinc/31/16/27/1333311627.db2.gz ILXJKXNNJRDQNQ-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCCCCC1 ZINC000948040833 1333350312 /nfs/dbraw/zinc/35/03/12/1333350312.db2.gz UKLGVSCYBMQLTG-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)[C@H](C)C2)o1 ZINC000948079152 1333368780 /nfs/dbraw/zinc/36/87/80/1333368780.db2.gz UMCKOFNEBDCZFH-WBVHZDCISA-N 2 0 347.503 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948416673 1333516463 /nfs/dbraw/zinc/51/64/63/1333516463.db2.gz MALDUUGQYWSZKQ-RTBURBONSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574820 1333583302 /nfs/dbraw/zinc/58/33/02/1333583302.db2.gz LMJSKWRQQUVTOM-VQTJNVASSA-N 2 0 349.563 3.386 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583397 1333584650 /nfs/dbraw/zinc/58/46/50/1333584650.db2.gz QHUXQYORMQKDBH-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710960 1333642996 /nfs/dbraw/zinc/64/29/96/1333642996.db2.gz IZTXUFYJVQQFEE-OALUTQOASA-N 2 0 337.552 3.221 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC000948767718 1333670359 /nfs/dbraw/zinc/67/03/59/1333670359.db2.gz ZXXPJVDTWPNOPK-AZUAARDMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948775543 1333674188 /nfs/dbraw/zinc/67/41/88/1333674188.db2.gz KVGYSZXCJFBLAL-AZUAARDMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948775546 1333674848 /nfs/dbraw/zinc/67/48/48/1333674848.db2.gz KVGYSZXCJFBLAL-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948775728 1333674871 /nfs/dbraw/zinc/67/48/71/1333674871.db2.gz PMYREOMTDIJCKT-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000950616185 1334097639 /nfs/dbraw/zinc/09/76/39/1334097639.db2.gz SURYFTWAIKWYGQ-ICSRJNTNSA-N 2 0 347.547 3.116 20 0 EGADRP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CC2CCCCCC2)C1 ZINC000951380186 1334235307 /nfs/dbraw/zinc/23/53/07/1334235307.db2.gz OROAHMVXZNOTSF-HKUYNNGSSA-N 2 0 349.563 3.220 20 0 EGADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000968676632 1336005693 /nfs/dbraw/zinc/00/56/93/1336005693.db2.gz NKMRSOOSRCIVGP-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968882850 1336079270 /nfs/dbraw/zinc/07/92/70/1336079270.db2.gz VQMLTOIWWVTAQN-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928629 1336093094 /nfs/dbraw/zinc/09/30/94/1336093094.db2.gz QHAJUOGTFYWPGW-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965423 1336104022 /nfs/dbraw/zinc/10/40/22/1336104022.db2.gz ONKAGWBJMNMKCA-LJQANCHMSA-N 2 0 345.531 3.175 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968967450 1336104721 /nfs/dbraw/zinc/10/47/21/1336104721.db2.gz PQFDSELMXVSWOX-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968991356 1336112403 /nfs/dbraw/zinc/11/24/03/1336112403.db2.gz YIOXPBIQNYNACL-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100940 1336143749 /nfs/dbraw/zinc/14/37/49/1336143749.db2.gz MESRJTMGHVADCD-FQEVSTJZSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCCCCC2)C1 ZINC000969144244 1336160746 /nfs/dbraw/zinc/16/07/46/1336160746.db2.gz HQMHKDNRSZQMIS-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC000969992401 1336269779 /nfs/dbraw/zinc/26/97/79/1336269779.db2.gz XCPBZNWTWUQRMC-MOPGFXCFSA-N 2 0 345.531 3.015 20 0 EGADRP C[C@H](NC(=O)c1ccn2c[nH+]cc2c1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000970061149 1336274763 /nfs/dbraw/zinc/27/47/63/1336274763.db2.gz WTBMZHDVJKNLKL-HOTGVXAUSA-N 2 0 348.450 3.146 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000970528902 1336318082 /nfs/dbraw/zinc/31/80/82/1336318082.db2.gz JXQGIKYXJQKIMR-LPHOPBHVSA-N 2 0 349.563 3.122 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205579549 1370798596 /nfs/dbraw/zinc/79/85/96/1370798596.db2.gz NUFMKSZCTVSWQO-OAHLLOKOSA-N 2 0 345.256 3.111 20 0 EGADRP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005581273 1336375131 /nfs/dbraw/zinc/37/51/31/1336375131.db2.gz KIPIQUPCRTVWKW-RTBURBONSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001005642568 1336386894 /nfs/dbraw/zinc/38/68/94/1336386894.db2.gz HZMQUGADFULCIP-AFMYVXGZSA-N 2 0 349.563 3.076 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001005869567 1336413317 /nfs/dbraw/zinc/41/33/17/1336413317.db2.gz ADVSUSNHJATVFV-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001005991899 1336435412 /nfs/dbraw/zinc/43/54/12/1336435412.db2.gz QGGBTBURZBIWOP-QZTJIDSGSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005998009 1336435953 /nfs/dbraw/zinc/43/59/53/1336435953.db2.gz RDKNSCKZRXIZFS-GOSISDBHSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006083529 1336449160 /nfs/dbraw/zinc/44/91/60/1336449160.db2.gz HIVUWCYMCHCOPF-IBGZPJMESA-N 2 0 337.552 3.218 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006406441 1336500791 /nfs/dbraw/zinc/50/07/91/1336500791.db2.gz ITZQWFJSGJXTTN-SFHVURJKSA-N 2 0 343.515 3.075 20 0 EGADRP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006444159 1336507566 /nfs/dbraw/zinc/50/75/66/1336507566.db2.gz SYSCRRDLQRSKSS-KRWDZBQOSA-N 2 0 345.531 3.331 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006444118 1336507650 /nfs/dbraw/zinc/50/76/50/1336507650.db2.gz RTOBLDJJLVSSLD-ROUUACIJSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001007495533 1336657459 /nfs/dbraw/zinc/65/74/59/1336657459.db2.gz KXFAFSBUSBQEEF-PMACEKPBSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001007495537 1336657654 /nfs/dbraw/zinc/65/76/54/1336657654.db2.gz KXFAFSBUSBQEEF-VQTJNVASSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007500147 1336658331 /nfs/dbraw/zinc/65/83/31/1336658331.db2.gz QYXIUDFYJJJUKO-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007751552 1336695215 /nfs/dbraw/zinc/69/52/15/1336695215.db2.gz ZYWKZSXVTLEXIL-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008042021 1336756651 /nfs/dbraw/zinc/75/66/51/1336756651.db2.gz ALCHNYOARRLULW-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008042025 1336756794 /nfs/dbraw/zinc/75/67/94/1336756794.db2.gz ALCHNYOARRLULW-VQTJNVASSA-N 2 0 347.547 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001008763209 1336922192 /nfs/dbraw/zinc/92/21/92/1336922192.db2.gz XWVPCJSSZARWIJ-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)C2)cc1 ZINC001008879567 1336936531 /nfs/dbraw/zinc/93/65/31/1336936531.db2.gz DQHWZHQMKMAAAC-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001009625486 1337048645 /nfs/dbraw/zinc/04/86/45/1337048645.db2.gz DLMWRVBHDPZSAS-SFHVURJKSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(O)cc(Br)c2)CC1 ZINC001206319157 1371019565 /nfs/dbraw/zinc/01/95/65/1371019565.db2.gz YPOWJMSAGKUKDP-OAHLLOKOSA-N 2 0 327.266 3.106 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724633 1337885547 /nfs/dbraw/zinc/88/55/47/1337885547.db2.gz WDBOXNRBUCMUAN-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014911482 1337948379 /nfs/dbraw/zinc/94/83/79/1337948379.db2.gz UPCAFWBIBRAYIG-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001015706968 1338269161 /nfs/dbraw/zinc/26/91/61/1338269161.db2.gz YIJMPDABMVCQAQ-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001015794856 1338314044 /nfs/dbraw/zinc/31/40/44/1338314044.db2.gz JOPXRDVHMSFOIG-FUHWJXTLSA-N 2 0 349.544 3.012 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001015971811 1338385524 /nfs/dbraw/zinc/38/55/24/1338385524.db2.gz DPLJFLAQDBOCQG-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702136 1338696053 /nfs/dbraw/zinc/69/60/53/1338696053.db2.gz LBHDCSNXKFSZRZ-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707400 1338697582 /nfs/dbraw/zinc/69/75/82/1338697582.db2.gz UIAUOLWSCIMWAP-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016762092 1338715967 /nfs/dbraw/zinc/71/59/67/1338715967.db2.gz UWQYKMLWUOXDSP-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016892583 1338761344 /nfs/dbraw/zinc/76/13/44/1338761344.db2.gz OBIGZAIWOQTNJG-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)C(C)C)C1 ZINC001017247234 1338977806 /nfs/dbraw/zinc/97/78/06/1338977806.db2.gz VFGDPMZINRFVDO-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018304629 1339569808 /nfs/dbraw/zinc/56/98/08/1339569808.db2.gz ISVAEKVZBRDTAT-YTQUADARSA-N 2 0 343.515 3.083 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(CC)CC)C1 ZINC001028088963 1340418008 /nfs/dbraw/zinc/41/80/08/1340418008.db2.gz RYABLWVLHAQRTF-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCCCC2)CC1 ZINC001028115222 1340436762 /nfs/dbraw/zinc/43/67/62/1340436762.db2.gz ANTWPFUREIGOEN-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001028181281 1340472127 /nfs/dbraw/zinc/47/21/27/1340472127.db2.gz QFRIEQGNODKRBT-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001028252366 1340513302 /nfs/dbraw/zinc/51/33/02/1340513302.db2.gz UZMBNHDUYQDQPQ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)C ZINC001028254623 1340515621 /nfs/dbraw/zinc/51/56/21/1340515621.db2.gz YOWCEGKTCNQWBM-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)C)o1 ZINC001028344106 1340583279 /nfs/dbraw/zinc/58/32/79/1340583279.db2.gz WAHQFVREUJNAPJ-QGZVFWFLSA-N 2 0 349.519 3.362 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001028757969 1340793386 /nfs/dbraw/zinc/79/33/86/1340793386.db2.gz CIOVSEZKPVMPMP-WOJBJXKFSA-N 2 0 347.547 3.047 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028845586 1340857668 /nfs/dbraw/zinc/85/76/68/1340857668.db2.gz NCNCPAZYPXWIAF-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029013200 1340909563 /nfs/dbraw/zinc/90/95/63/1340909563.db2.gz VGSYJDXQUPQGEE-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001029111537 1340932413 /nfs/dbraw/zinc/93/24/13/1340932413.db2.gz JVLVNMUGYVKRJS-APWZRJJASA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001029164794 1340946440 /nfs/dbraw/zinc/94/64/40/1340946440.db2.gz QJOKXYXFLBZXNT-UTKZUKDTSA-N 2 0 345.531 3.089 20 0 EGADRP C[C@H]([NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001029173684 1340948638 /nfs/dbraw/zinc/94/86/38/1340948638.db2.gz QJAAHNXFGKDKCM-ROUUACIJSA-N 2 0 343.515 3.060 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001029359686 1340977099 /nfs/dbraw/zinc/97/70/99/1340977099.db2.gz HDOURUWBNPYVMV-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001029502897 1341002238 /nfs/dbraw/zinc/00/22/38/1341002238.db2.gz ASYGEOHKSYYQPG-QRVBRYPASA-N 2 0 349.563 3.362 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001029737583 1341058885 /nfs/dbraw/zinc/05/88/85/1341058885.db2.gz MGMNQWAWCZCSHY-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001029753245 1341063991 /nfs/dbraw/zinc/06/39/91/1341063991.db2.gz BHUCUZGPGBQVHI-QZTJIDSGSA-N 2 0 343.515 3.012 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H](C[N@H+](C)CC3CCCCC3)C2)CC1 ZINC001029875437 1341100945 /nfs/dbraw/zinc/10/09/45/1341100945.db2.gz JRSBQSZFCZWXIA-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029910344 1341113717 /nfs/dbraw/zinc/11/37/17/1341113717.db2.gz HKNMURFBQIDOHG-HKUYNNGSSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001030019317 1341159719 /nfs/dbraw/zinc/15/97/19/1341159719.db2.gz OQKZEWIWIOGDHU-SNRMKQJTSA-N 2 0 349.494 3.054 20 0 EGADRP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031729118 1341394089 /nfs/dbraw/zinc/39/40/89/1341394089.db2.gz AVSFHMDLYIBYOD-HXUWFJFHSA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001032119004 1341458675 /nfs/dbraw/zinc/45/86/75/1341458675.db2.gz DZZQBUKNMQSOST-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1 ZINC001032801994 1341619031 /nfs/dbraw/zinc/61/90/31/1341619031.db2.gz ORVWCERJLDMDEX-PMACEKPBSA-N 2 0 347.547 3.118 20 0 EGADRP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828360 1341628682 /nfs/dbraw/zinc/62/86/82/1341628682.db2.gz NSDYOKFUPZQBKJ-OKZBNKHCSA-N 2 0 349.906 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033070969 1341715394 /nfs/dbraw/zinc/71/53/94/1341715394.db2.gz UVJJJTAMCTXZJH-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001033100453 1341722605 /nfs/dbraw/zinc/72/26/05/1341722605.db2.gz ZKWKOYKAVQJGMD-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033126392 1341733925 /nfs/dbraw/zinc/73/39/25/1341733925.db2.gz MPFKEOXISOXBJC-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033472656 1341840113 /nfs/dbraw/zinc/84/01/13/1341840113.db2.gz ZRRVAJGLHVMPDP-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033593116 1341888474 /nfs/dbraw/zinc/88/84/74/1341888474.db2.gz GDQSXMPWSLMDKF-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033989237 1342132853 /nfs/dbraw/zinc/13/28/53/1342132853.db2.gz MJQQYFRSUXJSOM-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001034046734 1342186524 /nfs/dbraw/zinc/18/65/24/1342186524.db2.gz VABCTIMGQLHLDF-APWZRJJASA-N 2 0 349.494 3.033 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034131584 1342261203 /nfs/dbraw/zinc/26/12/03/1342261203.db2.gz NQFMDYFZKRDMSB-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034132963 1342262493 /nfs/dbraw/zinc/26/24/93/1342262493.db2.gz VPNPHAFRZZMPET-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034136927 1342264272 /nfs/dbraw/zinc/26/42/72/1342264272.db2.gz MJIZREWWNZOJSP-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034204493 1342315100 /nfs/dbraw/zinc/31/51/00/1342315100.db2.gz MZTYDGNGOSVNSV-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034205138 1342316722 /nfs/dbraw/zinc/31/67/22/1342316722.db2.gz STZZDCDODSGLKS-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001034211501 1342321243 /nfs/dbraw/zinc/32/12/43/1342321243.db2.gz NKZVBXOGGZOSLK-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289022 1342374919 /nfs/dbraw/zinc/37/49/19/1342374919.db2.gz RPJFYSQCYMKKHA-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340824 1342414243 /nfs/dbraw/zinc/41/42/43/1342414243.db2.gz VVWHIPVYJHWART-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360476 1342431761 /nfs/dbraw/zinc/43/17/61/1342431761.db2.gz IYCZNPUPWIQNIA-PKOBYXMFSA-N 2 0 335.536 3.163 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001034432215 1342494577 /nfs/dbraw/zinc/49/45/77/1342494577.db2.gz SRFOYIKLFWDKIX-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034440021 1342501366 /nfs/dbraw/zinc/50/13/66/1342501366.db2.gz YIQYHGDKRVESOM-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474953 1342531018 /nfs/dbraw/zinc/53/10/18/1342531018.db2.gz NQDPVWDRHQQWNT-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529069 1342585813 /nfs/dbraw/zinc/58/58/13/1342585813.db2.gz WBKGANJODDWQLN-WOJBJXKFSA-N 2 0 343.515 3.204 20 0 EGADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034528475 1342586218 /nfs/dbraw/zinc/58/62/18/1342586218.db2.gz NKWCMRKIZGQKOT-IBGZPJMESA-N 2 0 335.536 3.023 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034537496 1342595645 /nfs/dbraw/zinc/59/56/45/1342595645.db2.gz CFLINYOBHRXZPB-VQTJNVASSA-N 2 0 347.547 3.332 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@H+](C/C=C/Cl)C2)c1 ZINC001034538690 1342596769 /nfs/dbraw/zinc/59/67/69/1342596769.db2.gz VILYILSUWAJJOO-WGLAMXGCSA-N 2 0 349.906 3.085 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001034649473 1342669837 /nfs/dbraw/zinc/66/98/37/1342669837.db2.gz KCQFDHZSDWSYNY-CADBVGFASA-N 2 0 349.563 3.170 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001034778745 1342755315 /nfs/dbraw/zinc/75/53/15/1342755315.db2.gz XWPXBECOBAFLLP-WGSAOQKQSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001034792008 1342760948 /nfs/dbraw/zinc/76/09/48/1342760948.db2.gz BPUUEIRFKDRQKX-WTGUMLROSA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034934531 1342843351 /nfs/dbraw/zinc/84/33/51/1342843351.db2.gz PUGMGZDFOCGIDC-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001035048865 1342898650 /nfs/dbraw/zinc/89/86/50/1342898650.db2.gz ZWROUGKHLGWTBM-IEBWSBKVSA-N 2 0 343.515 3.060 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001035126249 1342944241 /nfs/dbraw/zinc/94/42/41/1342944241.db2.gz WMPPUDCRZXSMGP-RBUKOAKNSA-N 2 0 343.515 3.041 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001035132985 1342948381 /nfs/dbraw/zinc/94/83/81/1342948381.db2.gz HRPTULZCZSXMPT-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC001035134535 1342950134 /nfs/dbraw/zinc/95/01/34/1342950134.db2.gz JZXFUBXKFRCPCI-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184613 1342998934 /nfs/dbraw/zinc/99/89/34/1342998934.db2.gz FQFNUADDGXIFIQ-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](C[C@@H](C)CC)C2)CC1 ZINC001035189201 1343002863 /nfs/dbraw/zinc/00/28/63/1343002863.db2.gz XYCRBDGWXKTWJH-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035196824 1343010085 /nfs/dbraw/zinc/01/00/85/1343010085.db2.gz DPNAGRLRIHDUAS-OALUTQOASA-N 2 0 347.547 3.118 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244074 1343065634 /nfs/dbraw/zinc/06/56/34/1343065634.db2.gz ILWPFMDJZRASSI-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035248715 1343072045 /nfs/dbraw/zinc/07/20/45/1343072045.db2.gz GTROKKKHDGYSPL-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001036297218 1343402699 /nfs/dbraw/zinc/40/26/99/1343402699.db2.gz KMPAAJQDMJORHT-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001036412748 1343471761 /nfs/dbraw/zinc/47/17/61/1343471761.db2.gz LYYCPKCTBLTJCL-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036903240 1343849871 /nfs/dbraw/zinc/84/98/71/1343849871.db2.gz XNEZBJZTYHVGPF-ICSRJNTNSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037107290 1343975877 /nfs/dbraw/zinc/97/58/77/1343975877.db2.gz PTGPLPPRYOFMML-PMACEKPBSA-N 2 0 349.563 3.172 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001037196446 1344034022 /nfs/dbraw/zinc/03/40/22/1344034022.db2.gz CKOLQYPLPLXTPE-RBUKOAKNSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037857097 1344142271 /nfs/dbraw/zinc/14/22/71/1344142271.db2.gz SUXVQIRBLGTKOO-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038241027 1344339514 /nfs/dbraw/zinc/33/95/14/1344339514.db2.gz SBBOHPLZDQXJBA-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038319591 1344377741 /nfs/dbraw/zinc/37/77/41/1344377741.db2.gz AWULTWOEASDAJM-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038319599 1344378043 /nfs/dbraw/zinc/37/80/43/1344378043.db2.gz AWULTWOEASDAJM-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462437 1344434245 /nfs/dbraw/zinc/43/42/45/1344434245.db2.gz LRNXJBKNTUYLKC-AEFFLSMTSA-N 2 0 348.450 3.208 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620148 1344508249 /nfs/dbraw/zinc/50/82/49/1344508249.db2.gz CDFUIVDOAUQDCC-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038780505 1344581477 /nfs/dbraw/zinc/58/14/77/1344581477.db2.gz LKQRMULBSFVBBD-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038908380 1344646184 /nfs/dbraw/zinc/64/61/84/1344646184.db2.gz JGGYUWWHASZJAD-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133975 1344812517 /nfs/dbraw/zinc/81/25/17/1344812517.db2.gz NEUPVMGUGHODMU-IEBWSBKVSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC)C2)CC1 ZINC001039185731 1344885175 /nfs/dbraw/zinc/88/51/75/1344885175.db2.gz WDXLQKYUGIVAFW-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039220396 1344937739 /nfs/dbraw/zinc/93/77/39/1344937739.db2.gz YZHIYVJMYYAOFP-PKOBYXMFSA-N 2 0 340.471 3.059 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235231 1344956230 /nfs/dbraw/zinc/95/62/30/1344956230.db2.gz VSORCWCKKWMUOE-OALUTQOASA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039312341 1345008766 /nfs/dbraw/zinc/00/87/66/1345008766.db2.gz WWTAICHVEXQYPL-ALOPSCKCSA-N 2 0 347.503 3.257 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CC1 ZINC001039643969 1345152427 /nfs/dbraw/zinc/15/24/27/1345152427.db2.gz JCUUQGAUTJASMM-SLFFLAALSA-N 2 0 347.547 3.115 20 0 EGADRP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)c1ccccc1)[NH+](C)C ZINC001039681449 1345157599 /nfs/dbraw/zinc/15/75/99/1345157599.db2.gz CSIPGDLNPAMKNX-IJXRJRJASA-N 2 0 343.515 3.153 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001039914576 1345245194 /nfs/dbraw/zinc/24/51/94/1345245194.db2.gz UMHKQBNEAOCWBM-YSIASYRMSA-N 2 0 347.547 3.116 20 0 EGADRP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001040260975 1345401074 /nfs/dbraw/zinc/40/10/74/1345401074.db2.gz JRZVSQSUKGBMBQ-WIYYLYMNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)[NH+](C)C ZINC001040398963 1345476423 /nfs/dbraw/zinc/47/64/23/1345476423.db2.gz MRKNLXXSDFIVDX-PXNSSMCTSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463530 1345509952 /nfs/dbraw/zinc/50/99/52/1345509952.db2.gz HEDZHDRCAFECFW-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040701727 1345567694 /nfs/dbraw/zinc/56/76/94/1345567694.db2.gz OLNJWVSESIGIBS-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2)[NH+](C)C ZINC001040852772 1345588054 /nfs/dbraw/zinc/58/80/54/1345588054.db2.gz CTODQZXETIHTFQ-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040912233 1345598877 /nfs/dbraw/zinc/59/88/77/1345598877.db2.gz MQOJQYWWZMMFSL-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001040947912 1345607707 /nfs/dbraw/zinc/60/77/07/1345607707.db2.gz HWXMRMNFQJBKSS-LJQANCHMSA-N 2 0 349.563 3.223 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041373877 1345711184 /nfs/dbraw/zinc/71/11/84/1345711184.db2.gz YPJXNPMYWDREKD-WIYYLYMNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433179 1345726542 /nfs/dbraw/zinc/72/65/42/1345726542.db2.gz WBMIXQPZOQAWRC-FPOVZHCZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCCC3)C2)C1)[NH+](C)C ZINC001041692806 1345821322 /nfs/dbraw/zinc/82/13/22/1345821322.db2.gz OFADFPMZSSJNNY-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042367972 1346059378 /nfs/dbraw/zinc/05/93/78/1346059378.db2.gz NBTQGQXDSZSNGQ-PXNSSMCTSA-N 2 0 343.515 3.085 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001042714945 1346109520 /nfs/dbraw/zinc/10/95/20/1346109520.db2.gz HSXVFBIXBMDMSS-LJQANCHMSA-N 2 0 349.563 3.218 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001044034160 1346237058 /nfs/dbraw/zinc/23/70/58/1346237058.db2.gz GIKBEXFAIKFQHS-AZUAARDMSA-N 2 0 347.547 3.116 20 0 EGADRP CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC001044184212 1346267973 /nfs/dbraw/zinc/26/79/73/1346267973.db2.gz XZVZWPVCCIGGLR-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001044628682 1346386993 /nfs/dbraw/zinc/38/69/93/1346386993.db2.gz IQWZFGJOHYPPPR-PKOBYXMFSA-N 2 0 347.547 3.330 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001044745777 1346418878 /nfs/dbraw/zinc/41/88/78/1346418878.db2.gz ZQZVRRPHELHEII-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767592 1346424666 /nfs/dbraw/zinc/42/46/66/1346424666.db2.gz PLFNBOGOXKXSQJ-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001045069492 1346489705 /nfs/dbraw/zinc/48/97/05/1346489705.db2.gz ZZXWLRDTHVFCJD-MSOLQXFVSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045104313 1346495392 /nfs/dbraw/zinc/49/53/92/1346495392.db2.gz YLCUZFKDDSZNMW-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001045106665 1346495616 /nfs/dbraw/zinc/49/56/16/1346495616.db2.gz UQJXJYDEDLDKSA-IBGZPJMESA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001045438111 1346594192 /nfs/dbraw/zinc/59/41/92/1346594192.db2.gz JNQZZQMWKDEGTA-LJQANCHMSA-N 2 0 343.515 3.030 20 0 EGADRP CC1(NC(=O)c2ccn3c[nH+]cc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001045492220 1346608106 /nfs/dbraw/zinc/60/81/06/1346608106.db2.gz AMLPJEGMEDEPDC-UHFFFAOYSA-N 2 0 348.450 3.119 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045937716 1346773359 /nfs/dbraw/zinc/77/33/59/1346773359.db2.gz INIXDCHUTFWZMA-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001045942096 1346777677 /nfs/dbraw/zinc/77/76/77/1346777677.db2.gz REDKZQGFYVJACD-IBGZPJMESA-N 2 0 349.544 3.148 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949136 1346784176 /nfs/dbraw/zinc/78/41/76/1346784176.db2.gz YLIKJBYXSHBORM-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045952743 1346788178 /nfs/dbraw/zinc/78/81/78/1346788178.db2.gz SANPKIJHFHBGCG-FQEVSTJZSA-N 2 0 340.471 3.063 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960447 1346795384 /nfs/dbraw/zinc/79/53/84/1346795384.db2.gz KBQAWJDDJQTHFY-GHTZIAJQSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001046316776 1346932228 /nfs/dbraw/zinc/93/22/28/1346932228.db2.gz RDQSKNJFNAACHH-AZUAARDMSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001046330693 1346936205 /nfs/dbraw/zinc/93/62/05/1346936205.db2.gz QCPJORPDGUXBSR-ZVDOUQERSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001046486833 1346991766 /nfs/dbraw/zinc/99/17/66/1346991766.db2.gz LWGLMNCGWVNOGN-OAQYLSRUSA-N 2 0 348.450 3.037 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001046487109 1346992210 /nfs/dbraw/zinc/99/22/10/1346992210.db2.gz OKEAVWOYHGKUHA-OAQYLSRUSA-N 2 0 348.450 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046561449 1347017734 /nfs/dbraw/zinc/01/77/34/1347017734.db2.gz GURSDQPLFZLHGF-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001046739626 1347077710 /nfs/dbraw/zinc/07/77/10/1347077710.db2.gz RMTMQWWEUWYYRO-FQEVSTJZSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@]1(NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@H+](CC2CCCCCC2)C1 ZINC001046806176 1347111358 /nfs/dbraw/zinc/11/13/58/1347111358.db2.gz QNHKTFTYZUXZGW-RTWAWAEBSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047242838 1347268927 /nfs/dbraw/zinc/26/89/27/1347268927.db2.gz GEHDUBIHGSMPKG-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257780 1347280554 /nfs/dbraw/zinc/28/05/54/1347280554.db2.gz UDJXLDQZFIFCGY-QUCCMNQESA-N 2 0 349.563 3.077 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001047258388 1347281166 /nfs/dbraw/zinc/28/11/66/1347281166.db2.gz YQZCYBZBYXWZFF-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698155 1357350768 /nfs/dbraw/zinc/35/07/68/1357350768.db2.gz MAFUISKGBJQTBJ-IEBWSBKVSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@H]2C)CC[N@@H+]1C ZINC001079730723 1357360711 /nfs/dbraw/zinc/36/07/11/1357360711.db2.gz LGENZNVTZDDKLA-GSEOLPGOSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527531 1347578387 /nfs/dbraw/zinc/57/83/87/1347578387.db2.gz ROTZOEHDIYDJAM-KNJMJIDISA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527812 1347578778 /nfs/dbraw/zinc/57/87/78/1347578778.db2.gz WAHQSVPAGFFMHS-IYWMVGAKSA-N 2 0 347.547 3.185 20 0 EGADRP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001048574729 1347600320 /nfs/dbraw/zinc/60/03/20/1347600320.db2.gz QLNZABAJVDKMKT-FNLKRUPLSA-N 2 0 343.515 3.131 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001048615421 1347619042 /nfs/dbraw/zinc/61/90/42/1347619042.db2.gz DXVQLQKLNMXPTH-UFYCRDLUSA-N 2 0 349.563 3.031 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1)C1CCC1 ZINC001049521962 1347889900 /nfs/dbraw/zinc/88/99/00/1347889900.db2.gz NCZXLPHVHNKGDP-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563199 1347911119 /nfs/dbraw/zinc/91/11/19/1347911119.db2.gz CXQUAKQMACYNHC-ZWKOTPCHSA-N 2 0 335.536 3.115 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049726132 1347991338 /nfs/dbraw/zinc/99/13/38/1347991338.db2.gz CPIBONFWKGIVEC-UFYCRDLUSA-N 2 0 347.547 3.282 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(C)C ZINC001049837162 1348049937 /nfs/dbraw/zinc/04/99/37/1348049937.db2.gz OFBBZVANYNINQR-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175696 1348203018 /nfs/dbraw/zinc/20/30/18/1348203018.db2.gz YEPFGISSZHKQQE-VQTJNVASSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001050252431 1348218809 /nfs/dbraw/zinc/21/88/09/1348218809.db2.gz KDBXNGCEOZTNSX-WOJBJXKFSA-N 2 0 343.515 3.160 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050392834 1348249022 /nfs/dbraw/zinc/24/90/22/1348249022.db2.gz IQZXWLNEAIZCPN-ZULIPRJHSA-N 2 0 349.563 3.314 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050393645 1348249696 /nfs/dbraw/zinc/24/96/96/1348249696.db2.gz VASVTYNPKOLPIE-UAPYVXQJSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001050518578 1348282583 /nfs/dbraw/zinc/28/25/83/1348282583.db2.gz FIHWBEIEXLBRAT-UHFFFAOYSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001051342122 1348437912 /nfs/dbraw/zinc/43/79/12/1348437912.db2.gz BIBCSGUTCUITKQ-KFKAGJAMSA-N 2 0 349.494 3.198 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394935 1348539629 /nfs/dbraw/zinc/53/96/29/1348539629.db2.gz IAHHVFJGPRURNQ-CEXWTWQISA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052446646 1348542892 /nfs/dbraw/zinc/54/28/92/1348542892.db2.gz MXAKYMBYWAKRHZ-RTBURBONSA-N 2 0 335.536 3.020 20 0 EGADRP O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052530326 1348567046 /nfs/dbraw/zinc/56/70/46/1348567046.db2.gz WTSBMZATASXHJT-LJQANCHMSA-N 2 0 347.547 3.166 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc2c[nH+]cn2c1 ZINC001052561964 1348579912 /nfs/dbraw/zinc/57/99/12/1348579912.db2.gz GMXXXHFSOPUWSA-IBGZPJMESA-N 2 0 348.450 3.119 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001052620477 1348597825 /nfs/dbraw/zinc/59/78/25/1348597825.db2.gz OHSTXDYEWKGBNL-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052663013 1348618359 /nfs/dbraw/zinc/61/83/59/1348618359.db2.gz MKEDWTZHDSZATJ-KRWDZBQOSA-N 2 0 349.519 3.362 20 0 EGADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708553 1348643675 /nfs/dbraw/zinc/64/36/75/1348643675.db2.gz CYVSSCHSFJGIKN-FQEVSTJZSA-N 2 0 345.531 3.175 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052763713 1348669001 /nfs/dbraw/zinc/66/90/01/1348669001.db2.gz JCVPSMGAGRCSQD-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052764377 1348669222 /nfs/dbraw/zinc/66/92/22/1348669222.db2.gz NSCHIMJROIMJOR-MOPGFXCFSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC)CC1 ZINC001052860429 1348706073 /nfs/dbraw/zinc/70/60/73/1348706073.db2.gz TZUMSYAZCVVVKI-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052859799 1348706127 /nfs/dbraw/zinc/70/61/27/1348706127.db2.gz NJOSFXQYXASLDH-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](F)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954967 1348768944 /nfs/dbraw/zinc/76/89/44/1348768944.db2.gz XKDUMRMMPJVQSY-RTBURBONSA-N 2 0 349.494 3.081 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC001052959740 1348772618 /nfs/dbraw/zinc/77/26/18/1348772618.db2.gz XETNYAIZTXHEIR-SCBHQAGPSA-N 2 0 349.906 3.085 20 0 EGADRP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC2CCCCC2)CC1 ZINC001052985422 1348788728 /nfs/dbraw/zinc/78/87/28/1348788728.db2.gz MJJTXCMGHYXRGE-OYRHEFFESA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042405 1348843849 /nfs/dbraw/zinc/84/38/49/1348843849.db2.gz PSPVPDIRDZFCMD-VQTJNVASSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096716 1348926722 /nfs/dbraw/zinc/92/67/22/1348926722.db2.gz YPJATHPPOHWFSU-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209168 1349210999 /nfs/dbraw/zinc/21/09/99/1349210999.db2.gz KPXDYPMWUTZBPI-RXVVDRJESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054244350 1349237521 /nfs/dbraw/zinc/23/75/21/1349237521.db2.gz DHHZVMJGCYPHGN-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](C(C)C)C2 ZINC001054272016 1349272075 /nfs/dbraw/zinc/27/20/75/1349272075.db2.gz AZPXHWAZFMHZIW-FQEVSTJZSA-N 2 0 343.515 3.147 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001080557194 1357678384 /nfs/dbraw/zinc/67/83/84/1357678384.db2.gz JVBVDYOOVJTDQU-KURKYZTESA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507989 1354732251 /nfs/dbraw/zinc/73/22/51/1354732251.db2.gz FXGOAIKBQKIUHB-ROUUACIJSA-N 2 0 335.536 3.186 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735206 1354887290 /nfs/dbraw/zinc/88/72/90/1354887290.db2.gz HUQTUQMGQWMTDQ-WMZOPIPTSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1CCC1CC1 ZINC001071896682 1355011578 /nfs/dbraw/zinc/01/15/78/1355011578.db2.gz HNEMORQBXMYBFJ-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1CCC1CC1 ZINC001071896687 1355012101 /nfs/dbraw/zinc/01/21/01/1355012101.db2.gz HNEMORQBXMYBFJ-UZLBHIALSA-N 2 0 343.515 3.131 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@H+](CC3=CCCCC3)C2)CC1 ZINC001071920480 1355026016 /nfs/dbraw/zinc/02/60/16/1355026016.db2.gz SCOFZWFQDLZQHG-ICSRJNTNSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071972907 1355054783 /nfs/dbraw/zinc/05/47/83/1355054783.db2.gz CGIGTQXDPWXGNA-PXNSSMCTSA-N 2 0 347.547 3.044 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096041 1355127503 /nfs/dbraw/zinc/12/75/03/1355127503.db2.gz SELLBVVRYKVODB-QFBILLFUSA-N 2 0 331.504 3.131 20 0 EGADRP CC(C)=CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001072882871 1355482539 /nfs/dbraw/zinc/48/25/39/1355482539.db2.gz UIDNTLPPTBUXGG-UHFFFAOYSA-N 2 0 347.547 3.140 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2=CCCCC2)C1 ZINC001074064905 1356063063 /nfs/dbraw/zinc/06/30/63/1356063063.db2.gz UGXYJEPSIZBQPJ-UYAOXDASSA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC001074066853 1356063603 /nfs/dbraw/zinc/06/36/03/1356063603.db2.gz RRZCJKKMZLRVPR-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001074066590 1356063968 /nfs/dbraw/zinc/06/39/68/1356063968.db2.gz JAGUTQMHRGUIRR-MOPGFXCFSA-N 2 0 335.536 3.140 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001074648531 1356221194 /nfs/dbraw/zinc/22/11/94/1356221194.db2.gz CXNQWBQOWDVCJQ-YTQUADARSA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001080998867 1357777251 /nfs/dbraw/zinc/77/72/51/1357777251.db2.gz QPPXPLKIKLGQGU-MISYRCLQSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001080998509 1357777394 /nfs/dbraw/zinc/77/73/94/1357777394.db2.gz AWQCAZIWAPVGCN-RLLQIKCJSA-N 2 0 347.547 3.188 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183392499 1387306374 /nfs/dbraw/zinc/30/63/74/1387306374.db2.gz XHOHDROJEJYYFO-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001082522329 1358053397 /nfs/dbraw/zinc/05/33/97/1358053397.db2.gz AVFYQXQEVXDGLF-GSEOLPGOSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC1CCC1 ZINC001082701045 1358078202 /nfs/dbraw/zinc/07/82/02/1358078202.db2.gz JTMYKWLWLYYZBN-NSISKUIASA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001085204731 1358433034 /nfs/dbraw/zinc/43/30/34/1358433034.db2.gz GYESBQSCHYQTAL-WJFTUGDTSA-N 2 0 349.563 3.170 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085217875 1358436630 /nfs/dbraw/zinc/43/66/30/1358436630.db2.gz VUARYKCBVQYEGX-VAMGGRTRSA-N 2 0 349.563 3.458 20 0 EGADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001085258295 1358446148 /nfs/dbraw/zinc/44/61/48/1358446148.db2.gz AMMVKYOSLQSYBY-RTBURBONSA-N 2 0 347.547 3.212 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085432523 1358498185 /nfs/dbraw/zinc/49/81/85/1358498185.db2.gz CBMMZENNKKKMHV-VAMGGRTRSA-N 2 0 343.515 3.078 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085685923 1358685994 /nfs/dbraw/zinc/68/59/94/1358685994.db2.gz FFIJKSYUDAJANZ-GOSISDBHSA-N 2 0 342.487 3.225 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085688855 1358689151 /nfs/dbraw/zinc/68/91/51/1358689151.db2.gz STCJXEOOWYEOGF-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CCC1=CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695838 1358691775 /nfs/dbraw/zinc/69/17/75/1358691775.db2.gz SNLRTYDJNMJRFB-LJQANCHMSA-N 2 0 345.531 3.038 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183870039 1387364063 /nfs/dbraw/zinc/36/40/63/1387364063.db2.gz YTCJSMGHTPZDRC-KAGICYHLSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085988127 1358939489 /nfs/dbraw/zinc/93/94/89/1358939489.db2.gz WGHLNMOPZJLAMA-VQTJNVASSA-N 2 0 347.547 3.284 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086253622 1359042937 /nfs/dbraw/zinc/04/29/37/1359042937.db2.gz NVFCVWOQLGAVJN-ZRNYENFQSA-N 2 0 347.547 3.092 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086277925 1359051399 /nfs/dbraw/zinc/05/13/99/1359051399.db2.gz AEHYXCADCNLQLF-ZCNNSNEGSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)c1 ZINC001086278488 1359052039 /nfs/dbraw/zinc/05/20/39/1359052039.db2.gz YLOXKEWVJHXIED-PUZFROQSSA-N 2 0 343.515 3.036 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086382801 1359083365 /nfs/dbraw/zinc/08/33/65/1359083365.db2.gz YLITVCQSWXQZQG-HNBVOPMISA-N 2 0 343.515 3.106 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086415025 1359091367 /nfs/dbraw/zinc/09/13/67/1359091367.db2.gz VRTGUVKOGMWWAP-VAMGGRTRSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086497194 1359120551 /nfs/dbraw/zinc/12/05/51/1359120551.db2.gz AVBVZCKNAKJQFR-VAMGGRTRSA-N 2 0 347.547 3.234 20 0 EGADRP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001086502561 1359121837 /nfs/dbraw/zinc/12/18/37/1359121837.db2.gz FMVYAJQJJNDVOM-LWYYNNOASA-N 2 0 347.547 3.068 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926842 1359251971 /nfs/dbraw/zinc/25/19/71/1359251971.db2.gz LTMFMCJJLMQYEM-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947447 1359269221 /nfs/dbraw/zinc/26/92/21/1359269221.db2.gz YNGHFMRBKCDRAD-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087134989 1359301105 /nfs/dbraw/zinc/30/11/05/1359301105.db2.gz NLUWGPVUDXZVGB-HOJAQTOUSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001087214569 1359322644 /nfs/dbraw/zinc/32/26/44/1359322644.db2.gz BKTABCXELNBPOY-UXPWSPDFSA-N 2 0 345.531 3.052 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087318442 1359409986 /nfs/dbraw/zinc/40/99/86/1359409986.db2.gz XVFHNZDUDPIAAX-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001323595723 1387400194 /nfs/dbraw/zinc/40/01/94/1387400194.db2.gz CUFKKECFJHGRKA-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCC1CCCCCC1 ZINC001087523038 1359509410 /nfs/dbraw/zinc/50/94/10/1359509410.db2.gz GWRBJKLPDLMVOI-ZCNNSNEGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCC1CCCC1 ZINC001087569971 1359535742 /nfs/dbraw/zinc/53/57/42/1359535742.db2.gz VALARAXRTIILAI-ZCNNSNEGSA-N 2 0 349.563 3.409 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1CC ZINC001087593345 1359546303 /nfs/dbraw/zinc/54/63/03/1359546303.db2.gz BVSHJMHEGCLIFG-OTWHNJEPSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1CC ZINC001087792219 1359648830 /nfs/dbraw/zinc/64/88/30/1359648830.db2.gz SQYLCQQJIBBPDU-ZCNNSNEGSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CC1CCC1 ZINC001087838577 1359672862 /nfs/dbraw/zinc/67/28/62/1359672862.db2.gz LQOHGXUSIRPHOG-VQTJNVASSA-N 2 0 343.515 3.131 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1Cc1ccsc1 ZINC001087840803 1359675348 /nfs/dbraw/zinc/67/53/48/1359675348.db2.gz ONPZEHLGIHLJPK-RCCFBDPRSA-N 2 0 349.544 3.092 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327193 1359831337 /nfs/dbraw/zinc/83/13/37/1359831337.db2.gz HSIZVYKUEZEESY-HKUYNNGSSA-N 2 0 335.536 3.163 20 0 EGADRP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001088327245 1359831654 /nfs/dbraw/zinc/83/16/54/1359831654.db2.gz ITCYGZPDFRMRAI-IBGZPJMESA-N 2 0 343.515 3.032 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001088367464 1359851463 /nfs/dbraw/zinc/85/14/63/1359851463.db2.gz KQJXCGNDHHZHHL-UXHICEINSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088369100 1359852762 /nfs/dbraw/zinc/85/27/62/1359852762.db2.gz AKZVLMGSLQZSML-SFHVURJKSA-N 2 0 347.503 3.116 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001088374539 1359856179 /nfs/dbraw/zinc/85/61/79/1359856179.db2.gz KHLAJUSTIAYQCH-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088381491 1359865325 /nfs/dbraw/zinc/86/53/25/1359865325.db2.gz FYSJEGABSXCKBH-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088382620 1359865377 /nfs/dbraw/zinc/86/53/77/1359865377.db2.gz GZRVBMJUOXASGB-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)[NH+]1CCCCCC1 ZINC001088394125 1359870149 /nfs/dbraw/zinc/87/01/49/1359870149.db2.gz XDSQEPCNCUORHG-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2CCCCC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC001088399882 1359874438 /nfs/dbraw/zinc/87/44/38/1359874438.db2.gz WUVUKQOIKPXRSC-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001088414216 1359884670 /nfs/dbraw/zinc/88/46/70/1359884670.db2.gz ZRRUDKXKKZNYGQ-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001088426100 1359894630 /nfs/dbraw/zinc/89/46/30/1359894630.db2.gz LULBJGXVMNOPCX-HXUWFJFHSA-N 2 0 347.547 3.334 20 0 EGADRP CCC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430735 1359898430 /nfs/dbraw/zinc/89/84/30/1359898430.db2.gz XHRPZWBSXJCULK-IBGZPJMESA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430731 1359898506 /nfs/dbraw/zinc/89/85/06/1359898506.db2.gz XBAZECZUPKUNED-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088562726 1359974135 /nfs/dbraw/zinc/97/41/35/1359974135.db2.gz KFNQCDCICPYDHJ-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088898818 1360098589 /nfs/dbraw/zinc/09/85/89/1360098589.db2.gz XMRBSWLNUHEKMQ-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCCC2)C1 ZINC001089226947 1360268023 /nfs/dbraw/zinc/26/80/23/1360268023.db2.gz MNMVKWVJHUWXMS-ICSRJNTNSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC001089227119 1360268789 /nfs/dbraw/zinc/26/87/89/1360268789.db2.gz QGRFTJNZDDQUFM-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC1CC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001089259527 1360289253 /nfs/dbraw/zinc/28/92/53/1360289253.db2.gz MJBFFSXVAJLZGG-MHJFOBGBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](C(C)C)CC(C)(C)C2)C1 ZINC001089473127 1360456662 /nfs/dbraw/zinc/45/66/62/1360456662.db2.gz SOCCBAPMVUZBCR-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510496 1360481701 /nfs/dbraw/zinc/48/17/01/1360481701.db2.gz VGVSQBLKGBJBSJ-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563335 1360510364 /nfs/dbraw/zinc/51/03/64/1360510364.db2.gz QFBMZUNQIGMZES-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089639448 1360553275 /nfs/dbraw/zinc/55/32/75/1360553275.db2.gz WELYAVHLNKBLSP-RBUKOAKNSA-N 2 0 349.563 3.432 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646030 1360558472 /nfs/dbraw/zinc/55/84/72/1360558472.db2.gz HGICZMXBCRMIGG-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CCCC2)C1 ZINC001089732195 1360636106 /nfs/dbraw/zinc/63/61/06/1360636106.db2.gz OTWBIBMEFYSFOS-RBUKOAKNSA-N 2 0 349.563 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089733729 1360637539 /nfs/dbraw/zinc/63/75/39/1360637539.db2.gz AIRXPLMBVBMMGV-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001091039169 1360984283 /nfs/dbraw/zinc/98/42/83/1360984283.db2.gz QJCSFTXFEURMCW-GHBBCFCZSA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091111939 1360993562 /nfs/dbraw/zinc/99/35/62/1360993562.db2.gz FVOFFXBPHAVIEK-SOAGJPPSSA-N 2 0 347.547 3.092 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001091198916 1361005216 /nfs/dbraw/zinc/00/52/16/1361005216.db2.gz ZBQJHJSZDBOFJS-CUYAVPTFSA-N 2 0 349.563 3.029 20 0 EGADRP CC[C@@H](C(=O)N1CCC([C@@H]2[N@H+](CC(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093379616 1361590573 /nfs/dbraw/zinc/59/05/73/1361590573.db2.gz DRAUWTIWKLYGKW-OALUTQOASA-N 2 0 349.563 3.076 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001094380622 1361780966 /nfs/dbraw/zinc/78/09/66/1361780966.db2.gz UWLQYBKAFMIPPR-SFHLNBCPSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497910 1361831121 /nfs/dbraw/zinc/83/11/21/1361831121.db2.gz QWXFBQGPPDQDEU-CTAFRAEOSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184822936 1387545092 /nfs/dbraw/zinc/54/50/92/1387545092.db2.gz XCHHHLHVZCGFKF-IRXDYDNUSA-N 2 0 342.487 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001095904036 1362280448 /nfs/dbraw/zinc/28/04/48/1362280448.db2.gz XNEOPRLJWPQQJR-YRXWBPOGSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604752 1362594341 /nfs/dbraw/zinc/59/43/41/1362594341.db2.gz PASGJOJRXVTHGT-LDTOTXGLSA-N 2 0 343.515 3.129 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185030230 1387591555 /nfs/dbraw/zinc/59/15/55/1387591555.db2.gz JWPZOJJMANCWGN-XSAZBNQGSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001097065789 1362830789 /nfs/dbraw/zinc/83/07/89/1362830789.db2.gz FCYMWVBXPZKJSG-YSTOQKLRSA-N 2 0 345.531 3.081 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001097176962 1362874580 /nfs/dbraw/zinc/87/45/80/1362874580.db2.gz CZXAVPZZNPBJCL-ZRNYENFQSA-N 2 0 347.547 3.163 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210615 1362886993 /nfs/dbraw/zinc/88/69/93/1362886993.db2.gz ZMWHPMPMUNHOQW-WTGUMLROSA-N 2 0 349.563 3.122 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097848976 1363141332 /nfs/dbraw/zinc/14/13/32/1363141332.db2.gz YIYCUMUXQYPCJH-NBYUQASBSA-N 2 0 347.547 3.163 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001097971842 1363184346 /nfs/dbraw/zinc/18/43/46/1363184346.db2.gz JRUOYHQIZLJPOX-MKXGPGLRSA-N 2 0 349.563 3.409 20 0 EGADRP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098455272 1363330276 /nfs/dbraw/zinc/33/02/76/1363330276.db2.gz LYDARYVKMQBPOA-AQNXPRMDSA-N 2 0 343.515 3.129 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098455157 1363330841 /nfs/dbraw/zinc/33/08/41/1363330841.db2.gz IBLADNTVRSDNKG-AQNXPRMDSA-N 2 0 341.499 3.050 20 0 EGADRP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098461056 1363332235 /nfs/dbraw/zinc/33/22/35/1363332235.db2.gz OWGCYXGXFFXNHY-QOJCHSLYSA-N 2 0 343.515 3.129 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001098463958 1363333091 /nfs/dbraw/zinc/33/30/91/1363333091.db2.gz IYMYKLQRSIYIIF-YRXWBPOGSA-N 2 0 347.547 3.019 20 0 EGADRP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C1CCCC1 ZINC001098812257 1363477768 /nfs/dbraw/zinc/47/77/68/1363477768.db2.gz AMTBFZMJEMEAHS-PXNSSMCTSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098822067 1363482564 /nfs/dbraw/zinc/48/25/64/1363482564.db2.gz WSERJIZANRSIRL-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101009 1363622310 /nfs/dbraw/zinc/62/23/10/1363622310.db2.gz DDLSZVJDQGGCGG-CUWPLCDZSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115275 1363631309 /nfs/dbraw/zinc/63/13/09/1363631309.db2.gz DENOUBHCVMTNQL-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001099323998 1363750005 /nfs/dbraw/zinc/75/00/05/1363750005.db2.gz DQFQEMLQYJHSEB-NQIIRXRSSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340303 1363760490 /nfs/dbraw/zinc/76/04/90/1363760490.db2.gz REPOZZFYHKWNRS-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099354011 1363768388 /nfs/dbraw/zinc/76/83/88/1363768388.db2.gz LSTRBBWZCGIYEY-LJQANCHMSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001099539771 1363838937 /nfs/dbraw/zinc/83/89/37/1363838937.db2.gz AIEJYUYMEMAGDR-ZJOUEHCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405649 1364103635 /nfs/dbraw/zinc/10/36/35/1364103635.db2.gz HDQAAPDMICMGIZ-HSTXZYEDSA-N 2 0 347.547 3.234 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729588 1364238441 /nfs/dbraw/zinc/23/84/41/1364238441.db2.gz FIGJKNCWQKSYMV-CTWPCTMYSA-N 2 0 337.552 3.314 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)C(C)C ZINC001100765973 1364251781 /nfs/dbraw/zinc/25/17/81/1364251781.db2.gz JYMCWFFZKDZKAC-CTWPCTMYSA-N 2 0 337.552 3.027 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001100829606 1364281553 /nfs/dbraw/zinc/28/15/53/1364281553.db2.gz CKKMUKVDAQUCKA-UHFFFAOYSA-N 2 0 345.531 3.136 20 0 EGADRP CCC(CC)C[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101066980 1364398260 /nfs/dbraw/zinc/39/82/60/1364398260.db2.gz WRMKOIADZNCMCI-UHFFFAOYSA-N 2 0 337.552 3.173 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101436944 1364562594 /nfs/dbraw/zinc/56/25/94/1364562594.db2.gz UNUPRDKVOXOUPI-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101443947 1364567274 /nfs/dbraw/zinc/56/72/74/1364567274.db2.gz QZXOTQUUTJWCCA-CTNGQTDRSA-N 2 0 349.563 3.079 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185348107 1387689912 /nfs/dbraw/zinc/68/99/12/1387689912.db2.gz NULVWFDLKHIANC-MYQPPDNISA-N 2 0 337.552 3.149 20 0 EGADRP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001101571261 1364626249 /nfs/dbraw/zinc/62/62/49/1364626249.db2.gz QVQFCMBVWJMHQT-GOSISDBHSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101596305 1364647322 /nfs/dbraw/zinc/64/73/22/1364647322.db2.gz RTACKCQGURAYGC-IRXDYDNUSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330148 1365005370 /nfs/dbraw/zinc/00/53/70/1365005370.db2.gz FNMPAFKTMVYIOZ-FMABSTRRSA-N 2 0 337.552 3.003 20 0 EGADRP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375660 1365029564 /nfs/dbraw/zinc/02/95/64/1365029564.db2.gz VUICTOQFWRSNBW-RKQNLGICSA-N 2 0 337.552 3.005 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C)C(C)C ZINC001102472015 1365073738 /nfs/dbraw/zinc/07/37/38/1365073738.db2.gz CVCHVVVCOLRTQD-GUDVDZBRSA-N 2 0 339.568 3.083 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)CC)C[C@H]1C ZINC001102472340 1365075276 /nfs/dbraw/zinc/07/52/76/1365075276.db2.gz WTZOQDFOMAYKKH-GUDVDZBRSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479712 1365077916 /nfs/dbraw/zinc/07/79/16/1365077916.db2.gz CTPJJKCMTRBFTF-NHQAVIFJSA-N 2 0 349.563 3.149 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580271 1365123592 /nfs/dbraw/zinc/12/35/92/1365123592.db2.gz ODCUGKLIBMCGKP-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001103060548 1365359291 /nfs/dbraw/zinc/35/92/91/1365359291.db2.gz RWPCESVYGVVRQV-PFRNKHFKSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185525869 1387738809 /nfs/dbraw/zinc/73/88/09/1387738809.db2.gz GYCXEGLCJHJXFO-MOPGFXCFSA-N 2 0 339.568 3.229 20 0 EGADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001103140135 1365403704 /nfs/dbraw/zinc/40/37/04/1365403704.db2.gz OJXPTHRXMWXILK-KZNAEPCWSA-N 2 0 339.568 3.227 20 0 EGADRP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185527832 1387739800 /nfs/dbraw/zinc/73/98/00/1387739800.db2.gz VIEMLHJUPORGSH-HKUYNNGSSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103148103 1365409715 /nfs/dbraw/zinc/40/97/15/1365409715.db2.gz OIAAMURBKJTBSS-VJQBDMSCSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268447 1365464030 /nfs/dbraw/zinc/46/40/30/1365464030.db2.gz XSGQRKUFRNCXEF-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185546493 1387744501 /nfs/dbraw/zinc/74/45/01/1387744501.db2.gz CKMJBMPSHGZZDQ-YMHTTXFNSA-N 2 0 337.552 3.149 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103433235 1365557307 /nfs/dbraw/zinc/55/73/07/1365557307.db2.gz AJRQEYRVCJYOJV-AHSYYPKJSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001103495685 1365596814 /nfs/dbraw/zinc/59/68/14/1365596814.db2.gz NXDFKPOEKHONFK-AQNXPRMDSA-N 2 0 349.563 3.290 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC001103631574 1365690035 /nfs/dbraw/zinc/69/00/35/1365690035.db2.gz UOKCFHGGQNVBKD-QRVBRYPASA-N 2 0 337.552 3.124 20 0 EGADRP CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)c1 ZINC001185609583 1387760371 /nfs/dbraw/zinc/76/03/71/1387760371.db2.gz LDJFQKXYHQBIOB-UXHICEINSA-N 2 0 345.531 3.060 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104421324 1366017506 /nfs/dbraw/zinc/01/75/06/1366017506.db2.gz NDZBUVOMQJYGIA-IAGOWNOFSA-N 2 0 342.487 3.212 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001185709537 1387783899 /nfs/dbraw/zinc/78/38/99/1387783899.db2.gz IOIKEKFNXKKVHB-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104678846 1366128218 /nfs/dbraw/zinc/12/82/18/1366128218.db2.gz DVLVESFCRGAOQQ-STEYPSJLSA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104753952 1366158100 /nfs/dbraw/zinc/15/81/00/1366158100.db2.gz WLOZCRRWXGJGPI-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1)c1ccccc1 ZINC001104896850 1366213953 /nfs/dbraw/zinc/21/39/53/1366213953.db2.gz RXHDWTVKCJCOBK-RLLQIKCJSA-N 2 0 345.531 3.162 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001185780107 1387798153 /nfs/dbraw/zinc/79/81/53/1387798153.db2.gz TTWYXRYPWNVAJM-VQTJNVASSA-N 2 0 349.563 3.293 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001324879979 1387801821 /nfs/dbraw/zinc/80/18/21/1387801821.db2.gz HSLYTLJOFFUAFM-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395663 1366443890 /nfs/dbraw/zinc/44/38/90/1366443890.db2.gz CKSHDJJJNZAYOS-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396728 1366445319 /nfs/dbraw/zinc/44/53/19/1366445319.db2.gz UABKMPBPNDJZKA-FQEVSTJZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105559085 1366530231 /nfs/dbraw/zinc/53/02/31/1366530231.db2.gz KOVYJQKZQFYNCO-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105562123 1366531604 /nfs/dbraw/zinc/53/16/04/1366531604.db2.gz WXRMYTAVJOMPNS-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105563039 1366532129 /nfs/dbraw/zinc/53/21/29/1366532129.db2.gz BKYTZRTYYSSPDQ-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001105568025 1366535690 /nfs/dbraw/zinc/53/56/90/1366535690.db2.gz DHBNSKXKOCCETP-IBGZPJMESA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479727 1366707984 /nfs/dbraw/zinc/70/79/84/1366707984.db2.gz OHUXIYRKYGEIAH-RTBURBONSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106516210 1366719763 /nfs/dbraw/zinc/71/97/63/1366719763.db2.gz JJVNRZUIIAMVSH-YZBXUTEPSA-N 2 0 349.563 3.291 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001106599210 1366750837 /nfs/dbraw/zinc/75/08/37/1366750837.db2.gz DEQZUSZISDBAQE-WSTZPKSXSA-N 2 0 345.531 3.082 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660432 1366767948 /nfs/dbraw/zinc/76/79/48/1366767948.db2.gz MWTHFTRYTZTEEI-LEJUBNGFSA-N 2 0 337.552 3.147 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107030840 1366861118 /nfs/dbraw/zinc/86/11/18/1366861118.db2.gz YTABVRQLUHTOKE-SBUVDCAVSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001107033090 1366861870 /nfs/dbraw/zinc/86/18/70/1366861870.db2.gz GMRCFJMOAPMDNL-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546464 1367036775 /nfs/dbraw/zinc/03/67/75/1367036775.db2.gz DHVOJGADTJMQBZ-PVGIVHLXSA-N 2 0 347.547 3.188 20 0 EGADRP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546926 1367036952 /nfs/dbraw/zinc/03/69/52/1367036952.db2.gz TZQUHLRXICSRBV-PVGIVHLXSA-N 2 0 347.547 3.045 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)(C)C)CC[N@@H+]1C ZINC001109305597 1367046414 /nfs/dbraw/zinc/04/64/14/1367046414.db2.gz LDWXNWOGXBALIF-SPOLIRPYSA-N 2 0 349.563 3.265 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2)c1ccccc1 ZINC001107606592 1367068287 /nfs/dbraw/zinc/06/82/87/1367068287.db2.gz DUZYWMVAKYWZSK-SVFBPWRDSA-N 2 0 343.515 3.060 20 0 EGADRP CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652131 1367095493 /nfs/dbraw/zinc/09/54/93/1367095493.db2.gz DBNHXUODPAHBJZ-UYAOXDASSA-N 2 0 335.536 3.023 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001109417895 1367112506 /nfs/dbraw/zinc/11/25/06/1367112506.db2.gz QOAWXHKDIXVLAG-YRPNKDGESA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419443 1367113092 /nfs/dbraw/zinc/11/30/92/1367113092.db2.gz PTWJVRZWRPAHAL-YRXWBPOGSA-N 2 0 335.536 3.019 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419301 1367113390 /nfs/dbraw/zinc/11/33/90/1367113390.db2.gz NGAXGUWBEPPGHJ-MIIYPZDFSA-N 2 0 347.547 3.329 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001109464182 1367137888 /nfs/dbraw/zinc/13/78/88/1367137888.db2.gz PLKBOIWZYXYADE-SQNIBIBYSA-N 2 0 335.536 3.019 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC(C)C ZINC001109464377 1367138398 /nfs/dbraw/zinc/13/83/98/1367138398.db2.gz XWHGTAOSNYKLLI-MHORFTMASA-N 2 0 337.552 3.120 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555088 1367195243 /nfs/dbraw/zinc/19/52/43/1367195243.db2.gz GYCWVXVJRKBMCY-FYQPLNBISA-N 2 0 347.547 3.163 20 0 EGADRP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109560912 1367198002 /nfs/dbraw/zinc/19/80/02/1367198002.db2.gz XORSNUVYUHHNNN-AABGKKOBSA-N 2 0 347.547 3.329 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1)CC(C)(C)C ZINC001109724408 1367293472 /nfs/dbraw/zinc/29/34/72/1367293472.db2.gz RAPMXSNGKGOADZ-SQNIBIBYSA-N 2 0 349.563 3.122 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656842 1367319839 /nfs/dbraw/zinc/31/98/39/1367319839.db2.gz WXWBFZNFHLKVPL-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656939 1367320561 /nfs/dbraw/zinc/32/05/61/1367320561.db2.gz YDCILWQWCGIPJT-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798761 1367329004 /nfs/dbraw/zinc/32/90/04/1367329004.db2.gz QWWKQWKTXBENIS-RNQOJCNYSA-N 2 0 349.563 3.122 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001109866583 1367370590 /nfs/dbraw/zinc/37/05/90/1367370590.db2.gz JHKOXFBHLFGNKS-AABGKKOBSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001109865687 1367370897 /nfs/dbraw/zinc/37/08/97/1367370897.db2.gz XHSBQDMMWYXJHR-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190997173 1367399349 /nfs/dbraw/zinc/39/93/49/1367399349.db2.gz RTNICNDGIWUMOM-MAUKXSAKSA-N 2 0 349.494 3.150 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001191029911 1367406139 /nfs/dbraw/zinc/40/61/39/1367406139.db2.gz PCYCMKSVVRHLRS-GOSISDBHSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080284 1367419530 /nfs/dbraw/zinc/41/95/30/1367419530.db2.gz FXXKHEWMAXTCIO-XFHJGTJQSA-N 2 0 340.471 3.145 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082214 1367420138 /nfs/dbraw/zinc/42/01/38/1367420138.db2.gz WAEXDWNLFTWJBZ-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001110002867 1367453634 /nfs/dbraw/zinc/45/36/34/1367453634.db2.gz YENMXXJFRWQWNH-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191352060 1367482473 /nfs/dbraw/zinc/48/24/73/1367482473.db2.gz PMZLSMVLIKRCRL-UEKDZROGSA-N 2 0 340.471 3.227 20 0 EGADRP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161553 1367535111 /nfs/dbraw/zinc/53/51/11/1367535111.db2.gz JDDUXVJCOBUNQP-PUBDRRPBSA-N 2 0 347.547 3.185 20 0 EGADRP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108702784 1367542668 /nfs/dbraw/zinc/54/26/68/1367542668.db2.gz BGMROAQYRSITIA-NEPBSLMDSA-N 2 0 347.547 3.186 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717887 1367554419 /nfs/dbraw/zinc/55/44/19/1367554419.db2.gz XSRFBKUSWAMMJV-KSZLIROESA-N 2 0 337.552 3.122 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001108754913 1367575572 /nfs/dbraw/zinc/57/55/72/1367575572.db2.gz QJIYVLRKWJVCKX-SMYKEVGUSA-N 2 0 347.547 3.044 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108772256 1367587723 /nfs/dbraw/zinc/58/77/23/1367587723.db2.gz LDPVBXBVEYUSMG-VAMICUEPSA-N 2 0 347.547 3.044 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108785942 1367595768 /nfs/dbraw/zinc/59/57/68/1367595768.db2.gz QTWLLFZJZVXZPJ-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789113 1367597553 /nfs/dbraw/zinc/59/75/53/1367597553.db2.gz DUBYXDZPGCFTKV-IHPCNDPISA-N 2 0 347.547 3.042 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801065 1367604911 /nfs/dbraw/zinc/60/49/11/1367604911.db2.gz ROXXHFZXZQPUFZ-OTWHNJEPSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108804024 1367606075 /nfs/dbraw/zinc/60/60/75/1367606075.db2.gz JBAGBERUWXLRFN-OJUCNMNVSA-N 2 0 335.536 3.044 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030391 1367669524 /nfs/dbraw/zinc/66/95/24/1367669524.db2.gz QIKVUJDFSKHDFS-OALUTQOASA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1)[NH+](CC)CC ZINC001192325063 1367752968 /nfs/dbraw/zinc/75/29/68/1367752968.db2.gz JRPGDJNOLWNUNU-UXHICEINSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001192326872 1367753483 /nfs/dbraw/zinc/75/34/83/1367753483.db2.gz UBGYHVSQIKIDTB-ROUUACIJSA-N 2 0 337.552 3.076 20 0 EGADRP Cc1ccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001192385075 1367771069 /nfs/dbraw/zinc/77/10/69/1367771069.db2.gz DLIJARDNMQCQLV-IBGZPJMESA-N 2 0 345.531 3.006 20 0 EGADRP C[NH+](CCC1CCCC1)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407208 1367775074 /nfs/dbraw/zinc/77/50/74/1367775074.db2.gz SOQDBZFGFCKKIL-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671466 1367845906 /nfs/dbraw/zinc/84/59/06/1367845906.db2.gz KXPNVYBOZBLFCY-MGBKSAOESA-N 2 0 335.536 3.138 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001110626728 1367874812 /nfs/dbraw/zinc/87/48/12/1367874812.db2.gz NYBNHSQNRYTDTD-YRXWBPOGSA-N 2 0 335.536 3.163 20 0 EGADRP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846812 1367886993 /nfs/dbraw/zinc/88/69/93/1367886993.db2.gz PSIOXUCJVQRSCO-HCZHMGAMSA-N 2 0 343.515 3.251 20 0 EGADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(C)c(F)c1 ZINC001192880815 1367896222 /nfs/dbraw/zinc/89/62/22/1367896222.db2.gz IKVUICYJYFTYFA-IBGZPJMESA-N 2 0 349.494 3.164 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCCCCF)C1 ZINC001192905321 1367901205 /nfs/dbraw/zinc/90/12/05/1367901205.db2.gz DVCITXDOVJMENK-SFHVURJKSA-N 2 0 343.531 3.171 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001110736842 1367954346 /nfs/dbraw/zinc/95/43/46/1367954346.db2.gz PEQZUHGXVPYNFF-QRVBRYPASA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754218 1367961955 /nfs/dbraw/zinc/96/19/55/1367961955.db2.gz JRQFVWISBMPKPP-CFXMGXPISA-N 2 0 347.547 3.185 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206261 1367966204 /nfs/dbraw/zinc/96/62/04/1367966204.db2.gz YWIKAKKBMMSEFW-DUIUGDAFSA-N 2 0 349.563 3.386 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771531 1367971477 /nfs/dbraw/zinc/97/14/77/1367971477.db2.gz VUWDYNMOJNKKSJ-QRQLOZEOSA-N 2 0 340.471 3.250 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193280020 1367987646 /nfs/dbraw/zinc/98/76/46/1367987646.db2.gz SUSWQRDHXNUJIC-MOPGFXCFSA-N 2 0 345.531 3.239 20 0 EGADRP C[N@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383258 1368017050 /nfs/dbraw/zinc/01/70/50/1368017050.db2.gz RFJLQJTWERFVSH-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423466 1368025822 /nfs/dbraw/zinc/02/58/22/1368025822.db2.gz ACZPWBXTWVOQMO-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001193424786 1368027627 /nfs/dbraw/zinc/02/76/27/1368027627.db2.gz PAPSDZFQRRVJAX-ZWKOTPCHSA-N 2 0 343.531 3.169 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193609480 1368073054 /nfs/dbraw/zinc/07/30/54/1368073054.db2.gz BJHZZNLUOWCVFN-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001110959572 1368125329 /nfs/dbraw/zinc/12/53/29/1368125329.db2.gz RIZBQHYPWXHNBZ-QRVBRYPASA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1)CC(C)(C)C ZINC001111028334 1368145707 /nfs/dbraw/zinc/14/57/07/1368145707.db2.gz VJRBFTAGELSGJI-QRVBRYPASA-N 2 0 347.547 3.186 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080401 1368179359 /nfs/dbraw/zinc/17/93/59/1368179359.db2.gz JXZGSKBNNJMSKF-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228315 1368212561 /nfs/dbraw/zinc/21/25/61/1368212561.db2.gz RRIGBUFECQUKFN-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229441 1368212657 /nfs/dbraw/zinc/21/26/57/1368212657.db2.gz XJPJUEAIPMYEDM-AZUAARDMSA-N 2 0 343.515 3.156 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001194275366 1368222775 /nfs/dbraw/zinc/22/27/75/1368222775.db2.gz SAVODAOCCNEZHE-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406966 1368254499 /nfs/dbraw/zinc/25/44/99/1368254499.db2.gz FEEKAXZCXUPODG-IRXDYDNUSA-N 2 0 349.519 3.314 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111298560 1368257900 /nfs/dbraw/zinc/25/79/00/1368257900.db2.gz DIQRGEPBKMXRSI-KURKYZTESA-N 2 0 337.552 3.266 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001186412773 1387937153 /nfs/dbraw/zinc/93/71/53/1387937153.db2.gz RLLFHODECRZALX-LHUXKHBRSA-N 2 0 337.552 3.435 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1)c1ccccc1 ZINC001195214466 1368402505 /nfs/dbraw/zinc/40/25/05/1368402505.db2.gz WVWDZRPISAJWFZ-PKOBYXMFSA-N 2 0 345.531 3.164 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC001111935500 1368566483 /nfs/dbraw/zinc/56/64/83/1368566483.db2.gz PIQDFXHBPQVFCC-ICSRJNTNSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CC1)C2 ZINC001111935977 1368566696 /nfs/dbraw/zinc/56/66/96/1368566696.db2.gz ZPURUZYBWJVSER-FPOVZHCZSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1=CCCCC1)C2 ZINC001111949155 1368571730 /nfs/dbraw/zinc/57/17/30/1368571730.db2.gz QBZRUSSCUWKIBT-FPOVZHCZSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001196275944 1368582242 /nfs/dbraw/zinc/58/22/42/1368582242.db2.gz PCLJWCIBEAWMSJ-OALUTQOASA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001196275946 1368582899 /nfs/dbraw/zinc/58/28/99/1368582899.db2.gz PCLJWCIBEAWMSJ-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001112009767 1368613431 /nfs/dbraw/zinc/61/34/31/1368613431.db2.gz SRAPKWQXFSEYBQ-FPOVZHCZSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641371 1368654392 /nfs/dbraw/zinc/65/43/92/1368654392.db2.gz CMIWMAAOAZPMMS-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCCNC(=S)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001196686494 1368662739 /nfs/dbraw/zinc/66/27/39/1368662739.db2.gz OOGCFITXZPGSRL-UHFFFAOYSA-N 2 0 348.560 3.301 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[N@H+](CCC3CCCCCC3)CC2)CC1 ZINC001196943286 1368718012 /nfs/dbraw/zinc/71/80/12/1368718012.db2.gz MVVSXAXEHNZCLP-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001112360885 1368791566 /nfs/dbraw/zinc/79/15/66/1368791566.db2.gz QOQHMONAYRXFQN-HUUJSLGLSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001112382468 1368810607 /nfs/dbraw/zinc/81/06/07/1368810607.db2.gz ZNXCBIQEBNDBBW-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485835 1368824292 /nfs/dbraw/zinc/82/42/92/1368824292.db2.gz YIIFZUKGHVOQRF-YXBWYFRISA-N 2 0 337.552 3.243 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](CCCC(C)C)CC1)C(C)C ZINC001197484626 1368824416 /nfs/dbraw/zinc/82/44/16/1368824416.db2.gz HMKZVKFCTAZVGL-IBGZPJMESA-N 2 0 339.568 3.323 20 0 EGADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001112519584 1368911959 /nfs/dbraw/zinc/91/19/59/1368911959.db2.gz QYHZQDBUBVDQSO-FPOVZHCZSA-N 2 0 349.563 3.127 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1)[NH+](CC)CC ZINC001112528897 1368915584 /nfs/dbraw/zinc/91/55/84/1368915584.db2.gz VQNYTDCXWAKFNL-ZVDOUQERSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548820 1368923387 /nfs/dbraw/zinc/92/33/87/1368923387.db2.gz TZJONHYCWWIKBY-DQFUNFDZSA-N 2 0 349.563 3.293 20 0 EGADRP CN(C)c1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001199677616 1369252706 /nfs/dbraw/zinc/25/27/06/1369252706.db2.gz CTLZHGHEZBTANU-UHFFFAOYSA-N 2 0 344.528 3.211 20 0 EGADRP CC(C)(C)CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001200578261 1369393435 /nfs/dbraw/zinc/39/34/35/1369393435.db2.gz QBJPGUSPFGUZPV-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201044073 1369470813 /nfs/dbraw/zinc/47/08/13/1369470813.db2.gz PBDWKLKYNFYKMB-SFFCAUCYSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201239391 1369502524 /nfs/dbraw/zinc/50/25/24/1369502524.db2.gz KGZPNBOQSKXEPZ-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001201397167 1369535990 /nfs/dbraw/zinc/53/59/90/1369535990.db2.gz QLSOEHMFXAOSAH-UHFFFAOYSA-N 2 0 342.462 3.383 20 0 EGADRP COc1nc(C(C)C)ccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001201436604 1369545091 /nfs/dbraw/zinc/54/50/91/1369545091.db2.gz BEUOZEITSGKRKM-UHFFFAOYSA-N 2 0 341.459 3.104 20 0 EGADRP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001201486736 1369554559 /nfs/dbraw/zinc/55/45/59/1369554559.db2.gz MDJZVIBPNCMPMB-ZRNYENFQSA-N 2 0 345.535 3.055 20 0 EGADRP C[C@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001113679224 1369562561 /nfs/dbraw/zinc/56/25/61/1369562561.db2.gz IRYOZWYKHKDTBT-VQTJNVASSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3cnc4cc(F)ccc4c3)cc[nH+]2)CC1 ZINC001201658317 1369598394 /nfs/dbraw/zinc/59/83/94/1369598394.db2.gz XZAGWDKYMOCHTM-UHFFFAOYSA-N 2 0 337.402 3.264 20 0 EGADRP CCN(CC)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201659379 1369599162 /nfs/dbraw/zinc/59/91/62/1369599162.db2.gz VGYXLMIDYZWNPG-UHFFFAOYSA-N 2 0 339.487 3.423 20 0 EGADRP C[NH+]1CCN(c2cc(Nc3ccc4scnc4c3)cc[nH+]2)CC1 ZINC001201666380 1369601673 /nfs/dbraw/zinc/60/16/73/1369601673.db2.gz PNPDIHBWQCUKKB-UHFFFAOYSA-N 2 0 325.441 3.187 20 0 EGADRP c1cncc(C[N@H+]2CCOCC3(CC[NH+](CC4CCCC4)CC3)C2)c1 ZINC001202167755 1369705734 /nfs/dbraw/zinc/70/57/34/1369705734.db2.gz UTJLBVLUIDWTKR-UHFFFAOYSA-N 2 0 343.515 3.186 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202473029 1369783190 /nfs/dbraw/zinc/78/31/90/1369783190.db2.gz DNVJKVXNRINODN-GOSISDBHSA-N 2 0 325.541 3.124 20 0 EGADRP CCC/C=C\CC[NH2+]C1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001202707664 1369859992 /nfs/dbraw/zinc/85/99/92/1369859992.db2.gz GMKBLWWWWNZGRB-SREVYHEPSA-N 2 0 346.519 3.334 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001202763423 1369882658 /nfs/dbraw/zinc/88/26/58/1369882658.db2.gz DBKXPRFNSHVNOU-WRFKIARRSA-N 2 0 335.536 3.188 20 0 EGADRP CCC1(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC001202965636 1369938607 /nfs/dbraw/zinc/93/86/07/1369938607.db2.gz JFGXFNLTFQAAMK-OAQYLSRUSA-N 2 0 328.500 3.401 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)C(C)C ZINC001202991733 1369948057 /nfs/dbraw/zinc/94/80/57/1369948057.db2.gz QCQARYUIQQLHAJ-HXUWFJFHSA-N 2 0 349.563 3.434 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1)C1CC1 ZINC001325744005 1388039638 /nfs/dbraw/zinc/03/96/38/1388039638.db2.gz RPQPLALUSBHLRN-XUVXKRRUSA-N 2 0 341.499 3.436 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)[nH]n1 ZINC001203071009 1369973161 /nfs/dbraw/zinc/97/31/61/1369973161.db2.gz GEZSBYPALCDEOI-UHFFFAOYSA-N 2 0 330.501 3.268 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001203193325 1370019286 /nfs/dbraw/zinc/01/92/86/1370019286.db2.gz KUEHWTKXSCYQGD-VXKWHMMOSA-N 2 0 336.479 3.133 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230611 1370032680 /nfs/dbraw/zinc/03/26/80/1370032680.db2.gz OLWIXRGFDKCFSK-MSOLQXFVSA-N 2 0 349.563 3.458 20 0 EGADRP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259837 1370046617 /nfs/dbraw/zinc/04/66/17/1370046617.db2.gz YNLSHRIJYNRAJG-DLBZAZTESA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001203283228 1370062142 /nfs/dbraw/zinc/06/21/42/1370062142.db2.gz PZTCUPQUEHFRHT-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203287286 1370062478 /nfs/dbraw/zinc/06/24/78/1370062478.db2.gz ANWZODSMEZAOGA-UTKZUKDTSA-N 2 0 345.531 3.090 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203324155 1370082618 /nfs/dbraw/zinc/08/26/18/1370082618.db2.gz FRFCLWAROBNMGY-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203324839 1370082660 /nfs/dbraw/zinc/08/26/60/1370082660.db2.gz JCFQZTMSKFUDRV-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccccc1F ZINC001203392919 1370109630 /nfs/dbraw/zinc/10/96/30/1370109630.db2.gz FIHNUVVHYGJHGW-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP C[C@@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001203394253 1370110221 /nfs/dbraw/zinc/11/02/21/1370110221.db2.gz ZIBUDWHHLFWLOJ-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001203442020 1370128260 /nfs/dbraw/zinc/12/82/60/1370128260.db2.gz BVNIYFUDZBUUEI-MRXNPFEDSA-N 2 0 349.494 3.199 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203507069 1370148458 /nfs/dbraw/zinc/14/84/58/1370148458.db2.gz NYXSBNOBIIYHGO-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203524620 1370155329 /nfs/dbraw/zinc/15/53/29/1370155329.db2.gz XUFMJUQETIPNBZ-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203652728 1370202906 /nfs/dbraw/zinc/20/29/06/1370202906.db2.gz XAECORGTBFPLJY-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203771763 1370258596 /nfs/dbraw/zinc/25/85/96/1370258596.db2.gz OJHRDBUNIOKHOT-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203826175 1370281647 /nfs/dbraw/zinc/28/16/47/1370281647.db2.gz XEHSJDOTPMXJHT-QZTJIDSGSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203853606 1370290349 /nfs/dbraw/zinc/29/03/49/1370290349.db2.gz UWEAYDASJQDRCV-CALCHBBNSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203904302 1370308726 /nfs/dbraw/zinc/30/87/26/1370308726.db2.gz RBQNLQPHHRSSIZ-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C/CC[NH2+]C1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001204069396 1370366652 /nfs/dbraw/zinc/36/66/52/1370366652.db2.gz OAVJEXYEJXAVCB-SNAWJCMRSA-N 2 0 343.515 3.055 20 0 EGADRP COc1cccc(OC)c1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001204249163 1370421757 /nfs/dbraw/zinc/42/17/57/1370421757.db2.gz AYUWVYSSQYRQOZ-UHFFFAOYSA-N 2 0 332.488 3.258 20 0 EGADRP Cc1c(F)cccc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001204509815 1370497590 /nfs/dbraw/zinc/49/75/90/1370497590.db2.gz QELMCWFCGYHANO-HDICACEKSA-N 2 0 325.431 3.093 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)cc(C)c1)C2 ZINC001204522362 1370503124 /nfs/dbraw/zinc/50/31/24/1370503124.db2.gz WYWGHQQEMXREFU-VXKWHMMOSA-N 2 0 342.527 3.484 20 0 EGADRP Cc1c(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cnn1C ZINC001204569573 1370518600 /nfs/dbraw/zinc/51/86/00/1370518600.db2.gz VSRNLFBEHJPTRT-UHFFFAOYSA-N 2 0 344.528 3.278 20 0 EGADRP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535489 1370532053 /nfs/dbraw/zinc/53/20/53/1370532053.db2.gz YAPLOYGIMOWHNU-IRXDYDNUSA-N 2 0 341.515 3.016 20 0 EGADRP Cc1ccc(C2(O)CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC001204638104 1370534854 /nfs/dbraw/zinc/53/48/54/1370534854.db2.gz VLZPBCPTWFMYPL-UHFFFAOYSA-N 2 0 336.479 3.124 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540582 1370537129 /nfs/dbraw/zinc/53/71/29/1370537129.db2.gz TTYWUGFYACPHKO-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115559818 1370559755 /nfs/dbraw/zinc/55/97/55/1370559755.db2.gz KUMKZUBSTRCUPM-KRWDZBQOSA-N 2 0 341.515 3.041 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115562643 1370562063 /nfs/dbraw/zinc/56/20/63/1370562063.db2.gz DJWXJPDKGWRMIP-BPLPYTOXSA-N 2 0 341.927 3.022 20 0 EGADRP [NH3+]C12CC(CC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)(C1)C2 ZINC001204757196 1370568493 /nfs/dbraw/zinc/56/84/93/1370568493.db2.gz WHZUVTKRKNBBSF-UHFFFAOYSA-N 2 0 340.298 3.387 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115571855 1370574480 /nfs/dbraw/zinc/57/44/80/1370574480.db2.gz RIORUOXXUZLQPJ-QGZVFWFLSA-N 2 0 341.515 3.018 20 0 EGADRP O=C(CCc1ncc[nH]1)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205118965 1370655905 /nfs/dbraw/zinc/65/59/05/1370655905.db2.gz JHPFLAMUBPSUKV-UHFFFAOYSA-N 2 0 346.519 3.141 20 0 EGADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC1 ZINC001205123472 1370656926 /nfs/dbraw/zinc/65/69/26/1370656926.db2.gz BFKGOIKACIJVAK-SFHVURJKSA-N 2 0 326.440 3.284 20 0 EGADRP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145776 1370662869 /nfs/dbraw/zinc/66/28/69/1370662869.db2.gz GISFLMPPWMHURL-NWDGAFQWSA-N 2 0 349.862 3.025 20 0 EGADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209136 1370681223 /nfs/dbraw/zinc/68/12/23/1370681223.db2.gz HUHYTHMINUJWEK-DYESRHJHSA-N 2 0 332.532 3.338 20 0 EGADRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CCCCC1 ZINC001115708185 1370687765 /nfs/dbraw/zinc/68/77/65/1370687765.db2.gz SKJJXKGCWYTRTL-UHFFFAOYSA-N 2 0 349.494 3.017 20 0 EGADRP Cc1ccc(Oc2cccc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)c2)cc1 ZINC001205231435 1370689777 /nfs/dbraw/zinc/68/97/77/1370689777.db2.gz XYWSKJDGCPYVOR-NRFANRHFSA-N 2 0 340.467 3.463 20 0 EGADRP Cc1ccc(C)c2nc(Cl)c(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)cc12 ZINC001205241198 1370692191 /nfs/dbraw/zinc/69/21/91/1370692191.db2.gz ROPOUGYOMZERCZ-LJQANCHMSA-N 2 0 347.890 3.181 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CCCc2nc[nH]c21 ZINC001115725303 1370705831 /nfs/dbraw/zinc/70/58/31/1370705831.db2.gz UDGBNBQCGVWHKE-INIZCTEOSA-N 2 0 344.503 3.038 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283478 1370706086 /nfs/dbraw/zinc/70/60/86/1370706086.db2.gz CRBLUNKSQHLMIB-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1)[NH+](CC)CC ZINC001115726514 1370707349 /nfs/dbraw/zinc/70/73/49/1370707349.db2.gz GOWIIRGRDIWBSK-SJORKVTESA-N 2 0 343.531 3.264 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC2CCC2)CCCCC1)[NH+](CC)CC ZINC001115726776 1370708118 /nfs/dbraw/zinc/70/81/18/1370708118.db2.gz RFHKXQNOZYTRQN-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115730945 1370713826 /nfs/dbraw/zinc/71/38/26/1370713826.db2.gz VNLNZTZKLAIMSX-HKUYNNGSSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@H]1C[NH3+] ZINC001205305930 1370714987 /nfs/dbraw/zinc/71/49/87/1370714987.db2.gz UNWCAALHCSEMQC-VXGBXAGGSA-N 2 0 336.277 3.347 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)C[C@@H]1C[NH3+] ZINC001205304699 1370715605 /nfs/dbraw/zinc/71/56/05/1370715605.db2.gz PGIKLWQJVUOKFA-AAEUAGOBSA-N 2 0 336.277 3.347 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001325942780 1388094290 /nfs/dbraw/zinc/09/42/90/1388094290.db2.gz OHWOQBVKKMVDMD-WSTZPKSXSA-N 2 0 349.563 3.076 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760933 1370745230 /nfs/dbraw/zinc/74/52/30/1370745230.db2.gz YFEDPPHJRFWLNE-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420536 1370749558 /nfs/dbraw/zinc/74/95/58/1370749558.db2.gz YXDJICVBTNKORE-VOFKWLDRSA-N 2 0 335.536 3.045 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115765883 1370749978 /nfs/dbraw/zinc/74/99/78/1370749978.db2.gz JZACLFHOEKFEHJ-KRWDZBQOSA-N 2 0 348.535 3.433 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461443 1370762558 /nfs/dbraw/zinc/76/25/58/1370762558.db2.gz JGONVVYLAOOQBG-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205460934 1370762598 /nfs/dbraw/zinc/76/25/98/1370762598.db2.gz ATXUFHLBZDUEPD-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001205490705 1370770863 /nfs/dbraw/zinc/77/08/63/1370770863.db2.gz UNXJMXNUEWEUKX-FQEVSTJZSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519085 1370778388 /nfs/dbraw/zinc/77/83/88/1370778388.db2.gz UWDLMCVPXGJZMT-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205519047 1370778609 /nfs/dbraw/zinc/77/86/09/1370778609.db2.gz SQXRBNNEOLMVLL-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(F)cc2Br)CC1 ZINC001205559823 1370791439 /nfs/dbraw/zinc/79/14/39/1370791439.db2.gz VCQXMFFGBAFTCH-AWEZNQCLSA-N 2 0 333.220 3.241 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001205581952 1370799802 /nfs/dbraw/zinc/79/98/02/1370799802.db2.gz VORUOCAGPRGBHU-ZDUSSCGKSA-N 2 0 339.764 3.407 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)cc21 ZINC001205591990 1370803760 /nfs/dbraw/zinc/80/37/60/1370803760.db2.gz PLLNTWLCZDRURF-FQEVSTJZSA-N 3 0 331.479 3.341 20 0 EGADRP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603015 1370808133 /nfs/dbraw/zinc/80/81/33/1370808133.db2.gz MRQQLCCHWJWPBZ-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205620856 1370814217 /nfs/dbraw/zinc/81/42/17/1370814217.db2.gz QQIYNZULSSJGIC-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1Br ZINC001205627650 1370817997 /nfs/dbraw/zinc/81/79/97/1370817997.db2.gz RHFVRGMUEGOYJM-JSGCOSHPSA-N 2 0 341.293 3.265 20 0 EGADRP CCCCCCOc1ccccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205665692 1370835311 /nfs/dbraw/zinc/83/53/11/1370835311.db2.gz TYOBOYULXSQZCW-FQEVSTJZSA-N 2 0 334.504 3.321 20 0 EGADRP COC(=O)CCCCCCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205735895 1370855257 /nfs/dbraw/zinc/85/52/57/1370855257.db2.gz RDNBFACSYHJYDM-HNNXBMFYSA-N 2 0 334.451 3.196 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001325966640 1388098759 /nfs/dbraw/zinc/09/87/59/1388098759.db2.gz ZSXTXEKBWKICPY-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccc(O)cc3)cc2)CCC1(F)F ZINC001205797111 1370874832 /nfs/dbraw/zinc/87/48/32/1370874832.db2.gz ZQMXRPNBHVJWRS-QGZVFWFLSA-N 2 0 332.394 3.475 20 0 EGADRP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)n(C)n1 ZINC001205890409 1370901754 /nfs/dbraw/zinc/90/17/54/1370901754.db2.gz KHXSHYBDXXDBTA-IBGZPJMESA-N 2 0 342.487 3.198 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1OC(F)F ZINC001205992076 1370931965 /nfs/dbraw/zinc/93/19/65/1370931965.db2.gz DGDBBIZKTZGYEB-TZMCWYRMSA-N 2 0 328.403 3.103 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001205996107 1370933430 /nfs/dbraw/zinc/93/34/30/1370933430.db2.gz UURPDAHKVCRVMK-GXTWGEPZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206003679 1370935247 /nfs/dbraw/zinc/93/52/47/1370935247.db2.gz LATWMKIVZXSGFH-DGCLKSJQSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1C[N@H+](Cc2cc(Cl)ncc2Br)CCC[C@@H]1C[NH3+] ZINC001206003617 1370935527 /nfs/dbraw/zinc/93/55/27/1370935527.db2.gz KGSZMVVMHSIFOO-WDEREUQCSA-N 2 0 346.700 3.304 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206012039 1370937873 /nfs/dbraw/zinc/93/78/73/1370937873.db2.gz IDOQGGNAIYOTRO-QWHCGFSZSA-N 2 0 346.393 3.401 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206026244 1370941928 /nfs/dbraw/zinc/94/19/28/1370941928.db2.gz RCAVIFBHFIKSQJ-GOEBONIOSA-N 2 0 332.879 3.333 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206028255 1370943617 /nfs/dbraw/zinc/94/36/17/1370943617.db2.gz XXTJWFSHKLDCPS-STQMWFEESA-N 2 0 341.293 3.265 20 0 EGADRP CCSc1ncc2cccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)n21 ZINC001206036693 1370944572 /nfs/dbraw/zinc/94/45/72/1370944572.db2.gz OCENMEPKWBGJDB-CABCVRRESA-N 2 0 332.517 3.253 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c(F)c1Cl ZINC001206037518 1370946189 /nfs/dbraw/zinc/94/61/89/1370946189.db2.gz WAILOOXFTKLKKH-MNOVXSKESA-N 2 0 332.822 3.434 20 0 EGADRP C[C@@H]([NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1)c1ccccc1F ZINC001206074701 1370954745 /nfs/dbraw/zinc/95/47/45/1370954745.db2.gz TXZKKMYWMAFKTP-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP C[C@H]1C[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CCC[C@@H]1C ZINC001206110309 1370961697 /nfs/dbraw/zinc/96/16/97/1370961697.db2.gz SUIUJVCXYKLJKP-HOTGVXAUSA-N 2 0 341.503 3.064 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206152245 1370974682 /nfs/dbraw/zinc/97/46/82/1370974682.db2.gz HOZFXXGDFUYIFP-UHFFFAOYSA-N 2 0 345.531 3.090 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CCCCCF)CC1)[NH+](CC)CC ZINC001206245639 1371002674 /nfs/dbraw/zinc/00/26/74/1371002674.db2.gz JPLBRCSKPPDWCP-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001206246194 1371003260 /nfs/dbraw/zinc/00/32/60/1371003260.db2.gz RSTABXGNOVEDPL-LJQANCHMSA-N 2 0 339.568 3.371 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3ccc(C[NH3+])cc3)CC2)c2ccccc2[nH+]1 ZINC001206284939 1371012054 /nfs/dbraw/zinc/01/20/54/1371012054.db2.gz JKXRVBHFTYROJR-UHFFFAOYSA-N 3 0 346.478 3.324 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OC)cc1Cl ZINC001206317021 1371020226 /nfs/dbraw/zinc/02/02/26/1371020226.db2.gz BAIFZSHKVDKPTG-QGZVFWFLSA-N 2 0 326.868 3.308 20 0 EGADRP CCOC(=O)c1ccc2c(C[N@@H+]3CCC[C@@](C)(C[NH3+])CC3)c[nH]c2c1 ZINC001206337627 1371027065 /nfs/dbraw/zinc/02/70/65/1371027065.db2.gz UPZWDNUPKUSFIH-HXUWFJFHSA-N 2 0 343.471 3.296 20 0 EGADRP C[NH+](C)CCn1cc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)cn1 ZINC001206373892 1371035964 /nfs/dbraw/zinc/03/59/64/1371035964.db2.gz TXMWCAZCPMSHFL-UHFFFAOYSA-N 2 0 330.451 3.237 20 0 EGADRP CC[NH+]1CCC(c2ccc(-c3cnn(CC[NH+](C)C)c3)cc2)CC1 ZINC001206379816 1371038890 /nfs/dbraw/zinc/03/88/90/1371038890.db2.gz UDMUCHAWBBGGOZ-UHFFFAOYSA-N 2 0 326.488 3.311 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547575 1371089890 /nfs/dbraw/zinc/08/98/90/1371089890.db2.gz JKXZXDNWZYDMJV-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001206549361 1371090982 /nfs/dbraw/zinc/09/09/82/1371090982.db2.gz LXLNAGGVRRPRSZ-IBGZPJMESA-N 2 0 326.444 3.220 20 0 EGADRP CC(C)[N@@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206581441 1371099117 /nfs/dbraw/zinc/09/91/17/1371099117.db2.gz IWGXAMYRPZABFS-FUHWJXTLSA-N 2 0 332.488 3.446 20 0 EGADRP c1ccc(OCCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001117866272 1371104796 /nfs/dbraw/zinc/10/47/96/1371104796.db2.gz PWHCCZRLTJPJSD-UHFFFAOYSA-N 2 0 325.456 3.499 20 0 EGADRP Cc1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)ccc2c[nH+]cn21 ZINC001117936154 1371110138 /nfs/dbraw/zinc/11/01/38/1371110138.db2.gz PAAUEFIGNFGMCC-IBGZPJMESA-N 2 0 334.423 3.444 20 0 EGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC001117953840 1371112924 /nfs/dbraw/zinc/11/29/24/1371112924.db2.gz RMRKDKWLFGLAPI-OAHLLOKOSA-N 2 0 327.472 3.223 20 0 EGADRP COc1c(C)cc(Br)cc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206646859 1371118207 /nfs/dbraw/zinc/11/82/07/1371118207.db2.gz DVCCAKFNKYSBNR-CYBMUJFWSA-N 2 0 341.293 3.327 20 0 EGADRP [NH3+]C[C@@H]1CCCCN(Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 ZINC001206646898 1371118222 /nfs/dbraw/zinc/11/82/22/1371118222.db2.gz DXTWXLGIUYYESS-NSHDSACASA-N 2 0 342.365 3.022 20 0 EGADRP COc1cc(F)ccc1-c1cncc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206649145 1371119507 /nfs/dbraw/zinc/11/95/07/1371119507.db2.gz RLDNVBODJMZANL-OAHLLOKOSA-N 2 0 343.446 3.457 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206654000 1371121929 /nfs/dbraw/zinc/12/19/29/1371121929.db2.gz REXIFTLKGBGMFO-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC001118122122 1371132950 /nfs/dbraw/zinc/13/29/50/1371132950.db2.gz PMTSVMWLDKRCFQ-HLLBOEOZSA-N 2 0 338.467 3.422 20 0 EGADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC001118122121 1371133252 /nfs/dbraw/zinc/13/32/52/1371133252.db2.gz PMTSVMWLDKRCFQ-BFYDXBDKSA-N 2 0 338.467 3.422 20 0 EGADRP CCOc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(F)cn1 ZINC001206760643 1371155882 /nfs/dbraw/zinc/15/58/82/1371155882.db2.gz JOUXUGQNVZKOQR-UHFFFAOYSA-N 2 0 343.446 3.112 20 0 EGADRP [NH3+][C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC001118287432 1371158569 /nfs/dbraw/zinc/15/85/69/1371158569.db2.gz ZLCZDJPWLDTIGU-IEBWSBKVSA-N 2 0 335.536 3.009 20 0 EGADRP COc1ccc(-c2ncc(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)s2)cc1 ZINC001206768345 1371158631 /nfs/dbraw/zinc/15/86/31/1371158631.db2.gz JUTRCWXEXLDPOA-KBPBESRZSA-N 2 0 331.485 3.378 20 0 EGADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1OC(F)(F)F ZINC001206810813 1371177219 /nfs/dbraw/zinc/17/72/19/1371177219.db2.gz PSTWDNDPGAHGIK-DGCLKSJQSA-N 2 0 332.366 3.153 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871295 1371198555 /nfs/dbraw/zinc/19/85/55/1371198555.db2.gz GMLZQTBABCWNDV-KPDZFXRVSA-N 2 0 349.563 3.291 20 0 EGADRP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947623 1371240041 /nfs/dbraw/zinc/24/00/41/1371240041.db2.gz CJYPITPYZZLLBM-ARHOITHKSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206952159 1371242292 /nfs/dbraw/zinc/24/22/92/1371242292.db2.gz BECCPUDXFOZQKW-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952358 1371243043 /nfs/dbraw/zinc/24/30/43/1371243043.db2.gz LUYFYRYYSMVBGV-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952303 1371243111 /nfs/dbraw/zinc/24/31/11/1371243111.db2.gz IVZCOPMPJGMQHP-ZMBJWTFHSA-N 2 0 335.536 3.045 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001206974588 1371254702 /nfs/dbraw/zinc/25/47/02/1371254702.db2.gz JMSRIFGWZTVPCN-QWFCFKBJSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]1[N@H+](CC(C)(C)C[NH+](C)C)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001207280423 1371349246 /nfs/dbraw/zinc/34/92/46/1371349246.db2.gz RPNCXOUBFLVCON-NQIIRXRSSA-N 2 0 349.563 3.220 20 0 EGADRP O[C@@]1(CF)CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286348 1371351559 /nfs/dbraw/zinc/35/15/59/1371351559.db2.gz GPPZDMQEGINUHV-HXUWFJFHSA-N 2 0 334.479 3.085 20 0 EGADRP CCC[N@H+](CCC[NH+](C)C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001207377067 1371378740 /nfs/dbraw/zinc/37/87/40/1371378740.db2.gz GGOIDDUNNBTVPL-MRXNPFEDSA-N 2 0 327.513 3.050 20 0 EGADRP CCOc1ccc(C(=O)C2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001207398527 1371384364 /nfs/dbraw/zinc/38/43/64/1371384364.db2.gz XGKHACMFIYRBQF-UHFFFAOYSA-N 2 0 344.499 3.322 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001207397200 1371384419 /nfs/dbraw/zinc/38/44/19/1371384419.db2.gz FZRWOTTYEMWTKU-FKBYEOEOSA-N 3 0 341.543 3.439 20 0 EGADRP CC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207399711 1371385175 /nfs/dbraw/zinc/38/51/75/1371385175.db2.gz RPKZPVDOBDNGNW-QGZVFWFLSA-N 2 0 339.524 3.050 20 0 EGADRP c1csc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCOC2)CC3)c1 ZINC001207464972 1371402780 /nfs/dbraw/zinc/40/27/80/1371402780.db2.gz UDQCVFIPHUXEQG-KRWDZBQOSA-N 2 0 334.529 3.463 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207463014 1371402980 /nfs/dbraw/zinc/40/29/80/1371402980.db2.gz DJELPRLEGKLBSL-HKUYNNGSSA-N 2 0 332.488 3.383 20 0 EGADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207463017 1371402989 /nfs/dbraw/zinc/40/29/89/1371402989.db2.gz DJELPRLEGKLBSL-PKOBYXMFSA-N 2 0 332.488 3.383 20 0 EGADRP COc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001207477550 1371407784 /nfs/dbraw/zinc/40/77/84/1371407784.db2.gz MVVKZZZHYBEYSX-SFTDATJTSA-N 2 0 336.479 3.302 20 0 EGADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479937 1371408466 /nfs/dbraw/zinc/40/84/66/1371408466.db2.gz QALQPEMQDLAFAZ-IYBDPMFKSA-N 2 0 339.524 3.048 20 0 EGADRP C[C@H]1CC[N@H+](CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207481995 1371409704 /nfs/dbraw/zinc/40/97/04/1371409704.db2.gz QAWJFKCOVQGYDZ-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(CCN2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001207487833 1371410842 /nfs/dbraw/zinc/41/08/42/1371410842.db2.gz UILBQOZFPOESFS-UHFFFAOYSA-N 2 0 340.446 3.330 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001207487153 1371411286 /nfs/dbraw/zinc/41/12/86/1371411286.db2.gz RDGVLGZITMQWRQ-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)cc1 ZINC001207488379 1371411920 /nfs/dbraw/zinc/41/19/20/1371411920.db2.gz JZVDDCPKAUHZSE-IBGZPJMESA-N 2 0 330.472 3.342 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)C[C@@H]2C1 ZINC001119990324 1371444155 /nfs/dbraw/zinc/44/41/55/1371444155.db2.gz VQBKYNOUPZPZPC-HLLBOEOZSA-N 2 0 342.512 3.367 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001119993259 1371446033 /nfs/dbraw/zinc/44/60/33/1371446033.db2.gz DFJMTAUOUHDHRQ-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+]1CCC(C[NH+]2CCN(CCCc3cccc(Cl)c3)CC2)CC1 ZINC001207594536 1371446271 /nfs/dbraw/zinc/44/62/71/1371446271.db2.gz ZMEJMPSDVGHYQT-UHFFFAOYSA-N 2 0 349.950 3.232 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3csc(C(F)(F)F)n3)C[C@@H]2C1 ZINC001120070896 1371477747 /nfs/dbraw/zinc/47/77/47/1371477747.db2.gz CTPNJFKMHFMGJD-GMXVVIOVSA-N 2 0 333.423 3.324 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCC3CCCC3)CCCCC2)C1 ZINC001120129703 1371492032 /nfs/dbraw/zinc/49/20/32/1371492032.db2.gz MDFHDFVVFWPOPR-LJQANCHMSA-N 2 0 349.563 3.317 20 0 EGADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCCC2CCCC2)CCCCC1 ZINC001120141176 1371494450 /nfs/dbraw/zinc/49/44/50/1371494450.db2.gz UBEFDDCBWKWAKC-UHFFFAOYSA-N 2 0 349.563 3.461 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790074 1371504760 /nfs/dbraw/zinc/50/47/60/1371504760.db2.gz KVWSDRZIXSOKEI-RXOIRPBWSA-N 2 0 349.563 3.432 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)CCCC[NH+]2CCCC2)CCCCC1 ZINC001120239800 1371510932 /nfs/dbraw/zinc/51/09/32/1371510932.db2.gz GOQACAVWSPPYRD-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP c1ccc(C2(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001207834464 1371515269 /nfs/dbraw/zinc/51/52/69/1371515269.db2.gz VLHYJFPGNFLXLL-BGYRXZFFSA-N 2 0 333.479 3.177 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001120401446 1371562310 /nfs/dbraw/zinc/56/23/10/1371562310.db2.gz JEGCBFGMBKIZPQ-RTBURBONSA-N 2 0 349.563 3.386 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCN([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001208109072 1371596300 /nfs/dbraw/zinc/59/63/00/1371596300.db2.gz LHPSWGIHTMDFFS-OAQYLSRUSA-N 2 0 341.543 3.414 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001208116234 1371599853 /nfs/dbraw/zinc/59/98/53/1371599853.db2.gz RXHGAFMUXUQNLD-LJQANCHMSA-N 2 0 344.499 3.174 20 0 EGADRP Cc1ccc([C@H](C)CCN2CC[NH+](CC3CC[NH+](C)CC3)CC2)o1 ZINC001208165353 1371614796 /nfs/dbraw/zinc/61/47/96/1371614796.db2.gz RDYMKYHDKWPERZ-QGZVFWFLSA-N 2 0 333.520 3.041 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C[C@@H]3CCC(C)=C[C@H]3C)CC2)C1 ZINC001208169608 1371616390 /nfs/dbraw/zinc/61/63/90/1371616390.db2.gz QTTKRKMQNMXSDN-CEXWTWQISA-N 2 0 348.531 3.328 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCCC1 ZINC001208181962 1371623441 /nfs/dbraw/zinc/62/34/41/1371623441.db2.gz DZCIKAURNFICRE-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185763 1371627001 /nfs/dbraw/zinc/62/70/01/1371627001.db2.gz QBJPTAQIUGKKGB-AZUAARDMSA-N 2 0 338.536 3.016 20 0 EGADRP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310953 1388149450 /nfs/dbraw/zinc/14/94/50/1388149450.db2.gz MNXZPOHFEVOYNA-INIZCTEOSA-N 2 0 340.471 3.187 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208330622 1371719153 /nfs/dbraw/zinc/71/91/53/1371719153.db2.gz AUDKSNCLOZHWJK-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208359750 1371734779 /nfs/dbraw/zinc/73/47/79/1371734779.db2.gz ZYGYOKMUSVVCFS-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1)[NH+](C)C ZINC001208413804 1371758423 /nfs/dbraw/zinc/75/84/23/1371758423.db2.gz BNTASFAQRYQQAD-YFLQNJEDSA-N 2 0 343.515 3.011 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001208446923 1371768586 /nfs/dbraw/zinc/76/85/86/1371768586.db2.gz DDXOWLAUVMUQKN-CRAIPNDOSA-N 2 0 349.494 3.198 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001208447155 1371769821 /nfs/dbraw/zinc/76/98/21/1371769821.db2.gz IXVREEVAFWLGGB-SJLPKXTDSA-N 2 0 331.504 3.059 20 0 EGADRP Cc1c(C(=O)N2CCC[C@H]([NH2+]CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001208470802 1371780265 /nfs/dbraw/zinc/78/02/65/1371780265.db2.gz LBAWYIJNVCMKQQ-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474664 1371781336 /nfs/dbraw/zinc/78/13/36/1371781336.db2.gz OAKCPYDHERRFFV-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC001208588693 1371829941 /nfs/dbraw/zinc/82/99/41/1371829941.db2.gz KPNKVKWRBBKURD-LEWJYISDSA-N 2 0 327.516 3.211 20 0 EGADRP C[N@H+](C1CC1)[C@H]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590818 1371831185 /nfs/dbraw/zinc/83/11/85/1371831185.db2.gz GKNCLOQYTHOJGD-SFTDATJTSA-N 2 0 327.516 3.210 20 0 EGADRP CC[N@@H+]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C(C)(C)C1 ZINC001208595441 1371833638 /nfs/dbraw/zinc/83/36/38/1371833638.db2.gz SVYKNZBDYKWNAX-FQEVSTJZSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001208598569 1371834647 /nfs/dbraw/zinc/83/46/47/1371834647.db2.gz SVCRQHBCXHWJLX-UHFFFAOYSA-N 2 0 339.524 3.050 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208596017 1371835069 /nfs/dbraw/zinc/83/50/69/1371835069.db2.gz ZIJJSRRZRNGRIJ-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+]1CCC(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001208600998 1371836328 /nfs/dbraw/zinc/83/63/28/1371836328.db2.gz IZTBXQWSUHEWPX-JOCHJYFZSA-N 2 0 341.543 3.414 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCC(N(C)Cc3ccccc3F)CC2)CC1 ZINC001208602544 1371836501 /nfs/dbraw/zinc/83/65/01/1371836501.db2.gz HRVRLMVKHUIEMU-UHFFFAOYSA-N 3 0 347.522 3.454 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842674 /nfs/dbraw/zinc/84/26/74/1371842674.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 2 0 341.543 3.172 20 0 EGADRP COc1cccc(OCC2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC001208616480 1371843094 /nfs/dbraw/zinc/84/30/94/1371843094.db2.gz LGDQTDPWSGAWMJ-SFHVURJKSA-N 2 0 332.488 3.128 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208646467 1371850096 /nfs/dbraw/zinc/85/00/96/1371850096.db2.gz LVKBDDBICUGXAQ-RCCFBDPRSA-N 2 0 339.568 3.083 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)c1ccccc1 ZINC001208666113 1371855561 /nfs/dbraw/zinc/85/55/61/1371855561.db2.gz KURUGXFEFAFZFR-UXHICEINSA-N 2 0 329.532 3.065 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](CC3CCN(C(C)=O)CC3)CC2)CC1 ZINC001208677814 1371857939 /nfs/dbraw/zinc/85/79/39/1371857939.db2.gz HLHDSYYIGXELLO-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+]1CCC2(C[NH+](CCCc3cccc(Br)c3)C2)CC1 ZINC001208824406 1371906948 /nfs/dbraw/zinc/90/69/48/1371906948.db2.gz HIEXLMFOXZZUSI-UHFFFAOYSA-N 2 0 337.305 3.409 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2)[NH+](C)C ZINC001121267436 1371915661 /nfs/dbraw/zinc/91/56/61/1371915661.db2.gz MAZVUDJFGPFBAS-FCOWATRHSA-N 2 0 349.563 3.170 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001208934695 1371951929 /nfs/dbraw/zinc/95/19/29/1371951929.db2.gz FXKPVAJBAKKVKU-SFTDATJTSA-N 2 0 327.516 3.069 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208940052 1371955316 /nfs/dbraw/zinc/95/53/16/1371955316.db2.gz OEAZXZRZHYRNSK-RTWAWAEBSA-N 2 0 328.500 3.401 20 0 EGADRP CCCCC[NH+]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208948798 1371961476 /nfs/dbraw/zinc/96/14/76/1371961476.db2.gz ILENQNAUAWITNM-OAQYLSRUSA-N 2 0 329.532 3.316 20 0 EGADRP CCOC(=O)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209039106 1371980621 /nfs/dbraw/zinc/98/06/21/1371980621.db2.gz RMNCYTWWYPEXGF-UHFFFAOYSA-N 2 0 344.499 3.318 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142883 1372012765 /nfs/dbraw/zinc/01/27/65/1372012765.db2.gz WWXUEVHOABWUJG-ODWICZQRSA-N 2 0 349.563 3.432 20 0 EGADRP c1ccc(COCCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001209256099 1372051803 /nfs/dbraw/zinc/05/18/03/1372051803.db2.gz FUQSFRXQRCYEBR-UHFFFAOYSA-N 2 0 325.456 3.201 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857896 1388178382 /nfs/dbraw/zinc/17/83/82/1388178382.db2.gz UQFZGXSPECLOKO-MRNGTQDMSA-N 2 0 347.547 3.138 20 0 EGADRP COC(C)(C)CC[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001209402751 1372094420 /nfs/dbraw/zinc/09/44/20/1372094420.db2.gz RBKMJIGRNDJMHT-UHFFFAOYSA-N 2 0 327.472 3.480 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121861823 1372106672 /nfs/dbraw/zinc/10/66/72/1372106672.db2.gz XTKZAYHIQGRWDN-MBEFBZSESA-N 2 0 349.563 3.457 20 0 EGADRP c1cc(C[N@H+]2CCC3(C2)CCN(CCC[NH+]2CCCCC2)CC3)co1 ZINC001209451233 1372109353 /nfs/dbraw/zinc/10/93/53/1372109353.db2.gz VKQJTGQEMJGAKM-UHFFFAOYSA-N 2 0 345.531 3.444 20 0 EGADRP c1cncc(OC[C@@]23CCC[C@@H]2C[N@@H+](CCC[NH+]2CCCCC2)C3)c1 ZINC001209451932 1372109426 /nfs/dbraw/zinc/10/94/26/1372109426.db2.gz XDMDBAHAWIWXJB-CTNGQTDRSA-N 2 0 343.515 3.439 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001209588218 1372144754 /nfs/dbraw/zinc/14/47/54/1372144754.db2.gz FIJVDJPTBFFJLV-VQTJNVASSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC(C)C)C1)[NH+](CC)CC ZINC001209614429 1372151678 /nfs/dbraw/zinc/15/16/78/1372151678.db2.gz OVEVZCRZHWKNPW-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055378 1372163803 /nfs/dbraw/zinc/16/38/03/1372163803.db2.gz BPQCIVVTAKCUCG-PPDYRMFTSA-N 2 0 349.563 3.027 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001209691457 1372171327 /nfs/dbraw/zinc/17/13/27/1372171327.db2.gz VYWHCKPEADOZIB-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122093478 1372172851 /nfs/dbraw/zinc/17/28/51/1372172851.db2.gz CXLVYDUFUDLEMP-WAYWQWQTSA-N 2 0 335.536 3.092 20 0 EGADRP Cn1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c2cccnc21 ZINC001209748099 1372182547 /nfs/dbraw/zinc/18/25/47/1372182547.db2.gz BUTJTQMGVQGLED-SFHVURJKSA-N 2 0 326.488 3.414 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242765 1372210097 /nfs/dbraw/zinc/21/00/97/1372210097.db2.gz NZRMEROHESAMJY-QKESWPNNSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001122285381 1372221236 /nfs/dbraw/zinc/22/12/36/1372221236.db2.gz VKYKOWKYLVXDPG-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209950661 1372239720 /nfs/dbraw/zinc/23/97/20/1372239720.db2.gz GMRCOOUAISONPP-RBUKOAKNSA-N 2 0 337.552 3.410 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209952384 1372240010 /nfs/dbraw/zinc/24/00/10/1372240010.db2.gz QIVJXJHDVYYCET-SFFCAUCYSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1c(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001122502251 1372261277 /nfs/dbraw/zinc/26/12/77/1372261277.db2.gz INISZLKZLPJTMB-GOSISDBHSA-N 2 0 335.407 3.074 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)C(C)C ZINC001210189546 1372291399 /nfs/dbraw/zinc/29/13/99/1372291399.db2.gz IXNDRFIADHLLSN-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP Clc1cccc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cnc12 ZINC001210262627 1372308555 /nfs/dbraw/zinc/30/85/55/1372308555.db2.gz JVOZYEUBJAMUPX-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP CCN(CC)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210264157 1372309572 /nfs/dbraw/zinc/30/95/72/1372309572.db2.gz LPBZGROPSMCUES-UHFFFAOYSA-N 2 0 325.460 3.081 20 0 EGADRP Cc1cc(CC(C)C)ncc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210264772 1372309692 /nfs/dbraw/zinc/30/96/92/1372309692.db2.gz WEOPZPSZSVMOCC-UHFFFAOYSA-N 2 0 325.460 3.137 20 0 EGADRP Cc1c(Br)cccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266428 1372310264 /nfs/dbraw/zinc/31/02/64/1372310264.db2.gz KHKQHKYRFVQNJE-UHFFFAOYSA-N 2 0 347.260 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210492870 1372366167 /nfs/dbraw/zinc/36/61/67/1372366167.db2.gz FDDVFNOEYKIQGK-OALUTQOASA-N 2 0 345.531 3.287 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001210514564 1372370206 /nfs/dbraw/zinc/37/02/06/1372370206.db2.gz YKHXVKPMLOTWAQ-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210616058 1372392260 /nfs/dbraw/zinc/39/22/60/1372392260.db2.gz ZPHVLVNKPMBVLI-TZIWHRDSSA-N 2 0 343.515 3.010 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643790 1372398539 /nfs/dbraw/zinc/39/85/39/1372398539.db2.gz LEUYGAXEKIIKBC-WOJBJXKFSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210772873 1372424381 /nfs/dbraw/zinc/42/43/81/1372424381.db2.gz CBDPDEMALZKPBT-RVPHRTOXSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001210796454 1372427817 /nfs/dbraw/zinc/42/78/17/1372427817.db2.gz HHASLRVXEQYAPW-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001210796409 1372428232 /nfs/dbraw/zinc/42/82/32/1372428232.db2.gz FXVZERXVIBCBPX-VQTJNVASSA-N 2 0 345.531 3.450 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]CCCCCF)C2)c1 ZINC001211239710 1372509576 /nfs/dbraw/zinc/50/95/76/1372509576.db2.gz CUMPACYLISTCGT-IBGZPJMESA-N 2 0 349.494 3.082 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211248576 1372512184 /nfs/dbraw/zinc/51/21/84/1372512184.db2.gz IANARYGIBDOLAY-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211261878 1372514070 /nfs/dbraw/zinc/51/40/70/1372514070.db2.gz FIPHGKMIPPSNLU-GLCUZYPYSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211261870 1372514651 /nfs/dbraw/zinc/51/46/51/1372514651.db2.gz FHHMEVOVCYIKSH-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262495 1372515036 /nfs/dbraw/zinc/51/50/36/1372515036.db2.gz RKZOBCMOUYWQQE-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001211284521 1372520733 /nfs/dbraw/zinc/52/07/33/1372520733.db2.gz MDKKWYLOIALULV-BESKYLIDSA-N 2 0 343.515 3.011 20 0 EGADRP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443878 1372559255 /nfs/dbraw/zinc/55/92/55/1372559255.db2.gz JYAOVHLSPSXCOV-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001127066261 1373079306 /nfs/dbraw/zinc/07/93/06/1373079306.db2.gz KLQCBNNKNOKMIK-IBGZPJMESA-N 2 0 345.531 3.063 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611310 1373089453 /nfs/dbraw/zinc/08/94/53/1373089453.db2.gz ZGHNWMOOIOKVJP-NCPJDUFYSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)(C)CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356580 1373118778 /nfs/dbraw/zinc/11/87/78/1373118778.db2.gz IAPWCSBWGCTOFX-KRWDZBQOSA-N 2 0 337.552 3.173 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855699 1373130506 /nfs/dbraw/zinc/13/05/06/1373130506.db2.gz LFEZCDYCJJCERA-PIMGTZPVSA-N 2 0 347.547 3.186 20 0 EGADRP CCCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215219719 1373188531 /nfs/dbraw/zinc/18/85/31/1373188531.db2.gz MEJVLIHRHIQOEE-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224646 1373189039 /nfs/dbraw/zinc/18/90/39/1373189039.db2.gz VRZMGJXQHCHMDP-JJRFVKOUSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001215234398 1373189459 /nfs/dbraw/zinc/18/94/59/1373189459.db2.gz SOJSPFVCLFJVIF-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC001215973020 1373252743 /nfs/dbraw/zinc/25/27/43/1373252743.db2.gz LOQIXARRRDFCOG-RTBURBONSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001216226266 1373285143 /nfs/dbraw/zinc/28/51/43/1373285143.db2.gz PZNADZMKJZOIGP-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001128552338 1373289655 /nfs/dbraw/zinc/28/96/55/1373289655.db2.gz OKXZOCPQAHHXNP-UHFFFAOYSA-N 2 0 337.533 3.100 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001216772854 1373341351 /nfs/dbraw/zinc/34/13/51/1373341351.db2.gz NIPHNBBCVPBRDH-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC001216835685 1373349390 /nfs/dbraw/zinc/34/93/90/1373349390.db2.gz BMOHVMVMPYEEDX-QWFCFKBJSA-N 2 0 343.515 3.060 20 0 EGADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001129418623 1373381506 /nfs/dbraw/zinc/38/15/06/1373381506.db2.gz VYAPGIGQLVEPSC-WOJBJXKFSA-N 2 0 343.515 3.251 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001129423872 1373382792 /nfs/dbraw/zinc/38/27/92/1373382792.db2.gz XXXRYQBRBOGTAR-ICSRJNTNSA-N 2 0 343.515 3.033 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205742 1388264301 /nfs/dbraw/zinc/26/43/01/1388264301.db2.gz VOTJQJGFHGJXPJ-XUVXKRRUSA-N 2 0 349.563 3.362 20 0 EGADRP c1ccc(C[N@@H+]2CCCO[C@@H](COCCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217888199 1373510136 /nfs/dbraw/zinc/51/01/36/1373510136.db2.gz OLAJRMHXYNJLHG-PZJWPPBQSA-N 2 0 346.515 3.074 20 0 EGADRP C[C@@H]1CC[NH2+]C[C@@H]1OC[C@@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217939519 1373514902 /nfs/dbraw/zinc/51/49/02/1373514902.db2.gz PWVHSGAMGDHDTF-SLYNCCJLSA-N 2 0 346.515 3.071 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130618069 1373571039 /nfs/dbraw/zinc/57/10/39/1373571039.db2.gz RRFJBTZDMYXIBV-KRWDZBQOSA-N 2 0 345.531 3.415 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccc(F)cc1 ZINC001130709287 1373583168 /nfs/dbraw/zinc/58/31/68/1373583168.db2.gz ZKVNUGKCQHERED-OALUTQOASA-N 2 0 349.494 3.103 20 0 EGADRP [NH3+][C@H](C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCCC1 ZINC001218858792 1373662288 /nfs/dbraw/zinc/66/22/88/1373662288.db2.gz HPAAYYLHTMEKAU-IBGZPJMESA-N 2 0 345.487 3.007 20 0 EGADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccccc1-c1nccs1 ZINC001219406994 1373707570 /nfs/dbraw/zinc/70/75/70/1373707570.db2.gz PQEBOCKXZRCWCU-HNNXBMFYSA-N 2 0 346.500 3.244 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001221962450 1373809468 /nfs/dbraw/zinc/80/94/68/1373809468.db2.gz DPPQFRHESHFKEX-WOJBJXKFSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC001131821755 1373822768 /nfs/dbraw/zinc/82/27/68/1373822768.db2.gz FGRHEALQQSZXEV-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC[NH2+][C@@H]2CCCc3ccccc32)CCCC1 ZINC001131844631 1373833902 /nfs/dbraw/zinc/83/39/02/1373833902.db2.gz KYPRYTKWKAPSDF-LJQANCHMSA-N 2 0 343.515 3.034 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001188362163 1388296361 /nfs/dbraw/zinc/29/63/61/1388296361.db2.gz ZVXYRTWZYAKRAV-RRFGBZISSA-N 2 0 343.515 3.055 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107491 1375151481 /nfs/dbraw/zinc/15/14/81/1375151481.db2.gz ZMBNXLOKCJBLBX-BTFXCVNISA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150395 1375171316 /nfs/dbraw/zinc/17/13/16/1375171316.db2.gz QMVBXEALOFDVMP-QZTJIDSGSA-N 2 0 335.536 3.020 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132153896 1375174251 /nfs/dbraw/zinc/17/42/51/1375174251.db2.gz USTVXDZRCSQTEH-ZFTGLFDFSA-N 2 0 340.471 3.273 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)C)CC[N@@H+]1C ZINC001226341555 1375243143 /nfs/dbraw/zinc/24/31/43/1375243143.db2.gz MOYJNYQNIMJLOM-WJFTUGDTSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1ccc(C)c(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132264883 1375254240 /nfs/dbraw/zinc/25/42/40/1375254240.db2.gz DEUZGHVRRLOEKW-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CC1CCCCCC1 ZINC001132265567 1375254540 /nfs/dbraw/zinc/25/45/40/1375254540.db2.gz OQEQYFJAVMHTDK-PKOBYXMFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)c1ccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132274477 1375259590 /nfs/dbraw/zinc/25/95/90/1375259590.db2.gz UVPVJIYMZLFWCU-YLJYHZDGSA-N 2 0 345.531 3.231 20 0 EGADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001226555020 1375281782 /nfs/dbraw/zinc/28/17/82/1375281782.db2.gz WKFGLTHPDUIEER-KZNAEPCWSA-N 2 0 343.531 3.120 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315779 1375293142 /nfs/dbraw/zinc/29/31/42/1375293142.db2.gz VRQVNHYHWINMDN-YZBXUTEPSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315417 1375293552 /nfs/dbraw/zinc/29/35/52/1375293552.db2.gz SWDPJYFURFFWSK-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340274 1375319008 /nfs/dbraw/zinc/31/90/08/1375319008.db2.gz PLEJRQRZOGMZFE-KQPGTDLCSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC2)C1 ZINC001132366142 1375330993 /nfs/dbraw/zinc/33/09/93/1375330993.db2.gz XDSPJQZVEHDFDL-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226781982 1375332537 /nfs/dbraw/zinc/33/25/37/1375332537.db2.gz GSCCTNUUOWZRFK-XXCOWLKOSA-N 2 0 335.536 3.234 20 0 EGADRP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]2C)c1 ZINC001132376145 1375338283 /nfs/dbraw/zinc/33/82/83/1375338283.db2.gz KDYVNDYVBCRNTQ-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376193 1375339246 /nfs/dbraw/zinc/33/92/46/1375339246.db2.gz KXRLVUDOEZKYSX-XLIONFOSSA-N 2 0 345.531 3.060 20 0 EGADRP CCc1ccccc1C[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376194 1375339675 /nfs/dbraw/zinc/33/96/75/1375339675.db2.gz KXRLVUDOEZKYSX-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380848 1375340635 /nfs/dbraw/zinc/34/06/35/1375340635.db2.gz QFKYXHOSOBZHFL-RLWBPELLSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132411358 1375360535 /nfs/dbraw/zinc/36/05/35/1375360535.db2.gz YKIFHAYLUQYGMF-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226942174 1375364288 /nfs/dbraw/zinc/36/42/88/1375364288.db2.gz QWTRNZUOOGUTMT-NFTNHMJPSA-N 2 0 337.552 3.336 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1Cc1ccc(F)cc1 ZINC001132433238 1375378457 /nfs/dbraw/zinc/37/84/57/1375378457.db2.gz LHTXEPURBNGYKC-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434516 1375378974 /nfs/dbraw/zinc/37/89/74/1375378974.db2.gz YADLMRFDKROBSB-FUHWJXTLSA-N 2 0 325.541 3.124 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCCC1CCC1 ZINC001132434603 1375379825 /nfs/dbraw/zinc/37/98/25/1375379825.db2.gz ZFPFMBJBFCTJHI-HKUYNNGSSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132437157 1375382828 /nfs/dbraw/zinc/38/28/28/1375382828.db2.gz QWPAVOUAQDHMIR-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132440449 1375383963 /nfs/dbraw/zinc/38/39/63/1375383963.db2.gz AMWKHYLBOXMBFG-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494543 1375424114 /nfs/dbraw/zinc/42/41/14/1375424114.db2.gz UGYUMYKSDCDFPE-OALUTQOASA-N 2 0 335.536 3.188 20 0 EGADRP Cc1cccc(C)c1C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132521301 1375438349 /nfs/dbraw/zinc/43/83/49/1375438349.db2.gz BGMWXZRNYVWZIP-RTBURBONSA-N 2 0 345.531 3.113 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)c1 ZINC001228270523 1375538019 /nfs/dbraw/zinc/53/80/19/1375538019.db2.gz UHKGISNKJUELSV-DFQSSKMNSA-N 2 0 345.531 3.415 20 0 EGADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC001228355882 1375555414 /nfs/dbraw/zinc/55/54/14/1375555414.db2.gz VHWRMPFNPOUNOR-VAMGGRTRSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1ccccc1 ZINC001228355394 1375555880 /nfs/dbraw/zinc/55/58/80/1375555880.db2.gz MSPDXCZFZHUXGQ-GUDVDZBRSA-N 2 0 331.504 3.106 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791356 1375567405 /nfs/dbraw/zinc/56/74/05/1375567405.db2.gz XVKYPIORXVDRKT-FQEVSTJZSA-N 2 0 349.563 3.460 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001228440500 1375572973 /nfs/dbraw/zinc/57/29/73/1375572973.db2.gz JPNAASUUEQHOTI-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001132825341 1375585614 /nfs/dbraw/zinc/58/56/14/1375585614.db2.gz YEGBOUOKFGWMBN-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001228594528 1375608255 /nfs/dbraw/zinc/60/82/55/1375608255.db2.gz MHHXQALFLBRCED-UWCDRFHNSA-N 2 0 335.536 3.234 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001132887037 1375625673 /nfs/dbraw/zinc/62/56/73/1375625673.db2.gz ZSZIJLXMSVNOKA-ZWOKBUDYSA-N 2 0 345.531 3.307 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001132887036 1375625761 /nfs/dbraw/zinc/62/57/61/1375625761.db2.gz ZSZIJLXMSVNOKA-QKLQHJQFSA-N 2 0 345.531 3.307 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132936673 1375657179 /nfs/dbraw/zinc/65/71/79/1375657179.db2.gz CXKWLPBMAAUZCC-ROUUACIJSA-N 2 0 339.568 3.371 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132938055 1375658028 /nfs/dbraw/zinc/65/80/28/1375658028.db2.gz QJFRSDNMCIDZJD-IHVSBYRNSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001132950349 1375666721 /nfs/dbraw/zinc/66/67/21/1375666721.db2.gz MFNLSULLZBMTEZ-ROUUACIJSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)(C)C)CC1 ZINC001229288054 1375801968 /nfs/dbraw/zinc/80/19/68/1375801968.db2.gz VUTHKOYCXULKTF-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC)C1 ZINC001133185583 1375829647 /nfs/dbraw/zinc/82/96/47/1375829647.db2.gz FYETWNHDKRLPPO-MOPGFXCFSA-N 2 0 339.568 3.373 20 0 EGADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC)c1ccccc1 ZINC001229496332 1375846507 /nfs/dbraw/zinc/84/65/07/1375846507.db2.gz PRNYBXIQMLCUPF-XUVXKRRUSA-N 2 0 345.531 3.497 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133224773 1375853027 /nfs/dbraw/zinc/85/30/27/1375853027.db2.gz DUKQDPMMOMNFAF-TYFAACHXSA-N 2 0 337.552 3.149 20 0 EGADRP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133263249 1375879513 /nfs/dbraw/zinc/87/95/13/1375879513.db2.gz RLLOPEZDTQUICP-AWTIPJNISA-N 2 0 337.552 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC001229877754 1375910224 /nfs/dbraw/zinc/91/02/24/1375910224.db2.gz ZTEDQMXNMOQPES-MISYRCLQSA-N 2 0 345.531 3.415 20 0 EGADRP CCCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133360500 1375943853 /nfs/dbraw/zinc/94/38/53/1375943853.db2.gz MPGFLTSYMAMMBL-MOPGFXCFSA-N 2 0 337.552 3.127 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001230257198 1375978787 /nfs/dbraw/zinc/97/87/87/1375978787.db2.gz MBRRITXPHIHGQT-QZTJIDSGSA-N 2 0 349.544 3.141 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001230284899 1375985158 /nfs/dbraw/zinc/98/51/58/1375985158.db2.gz CIFWPYQGADEBGL-UHFFFAOYSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001133434497 1376003808 /nfs/dbraw/zinc/00/38/08/1376003808.db2.gz URJUWYNCXOXSOY-VQIMIIECSA-N 2 0 347.547 3.337 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001230434705 1376029439 /nfs/dbraw/zinc/02/94/39/1376029439.db2.gz RAAHBHVVUXHNIS-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628469 1376106065 /nfs/dbraw/zinc/10/60/65/1376106065.db2.gz ICHWQZDVZXRWEO-MJGOQNOKSA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2ccnc2)CC1 ZINC001230627690 1376106414 /nfs/dbraw/zinc/10/64/14/1376106414.db2.gz DVHPXZMKJFXDSL-IBGZPJMESA-N 2 0 346.519 3.022 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]Cc1cccc2ccccc21)[NH+](CC)CC ZINC001133684988 1376154295 /nfs/dbraw/zinc/15/42/95/1376154295.db2.gz OGHQEGXXTDXGBP-HXUWFJFHSA-N 2 0 341.499 3.166 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccc2ccccc2c1 ZINC001133834448 1376224186 /nfs/dbraw/zinc/22/41/86/1376224186.db2.gz YEOYDJKXZGHMAT-IAGOWNOFSA-N 2 0 339.483 3.091 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016158 1376383944 /nfs/dbraw/zinc/38/39/44/1376383944.db2.gz SBNMULASVSJNBS-UHFFFAOYSA-N 2 0 345.535 3.049 20 0 EGADRP C[NH+](C)Cc1cc(F)cc(CN2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001232144351 1376408772 /nfs/dbraw/zinc/40/87/72/1376408772.db2.gz JCFIBDMCZMQRRY-HZPDHXFCSA-N 2 0 348.384 3.023 20 0 EGADRP CCC[N@H+]1C[C@H]2CN(Cc3ccc(-n4cccn4)cc3Cl)C[C@H]2C1 ZINC001232596708 1376487038 /nfs/dbraw/zinc/48/70/38/1376487038.db2.gz RTAWWMJERWUIPT-CALCHBBNSA-N 2 0 344.890 3.299 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370080 1376498699 /nfs/dbraw/zinc/49/86/99/1376498699.db2.gz XEWYEZAAJSKEDT-IRXDYDNUSA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583791 1376608645 /nfs/dbraw/zinc/60/86/45/1376608645.db2.gz OJDCSMBUCAKRNH-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CCCC(C)(C)C ZINC001134612014 1376624491 /nfs/dbraw/zinc/62/44/91/1376624491.db2.gz GKXXAHZVRGLURV-CVEARBPZSA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c[nH]c(Br)c2)CC1 ZINC001233437436 1376644970 /nfs/dbraw/zinc/64/49/70/1376644970.db2.gz ZJRINJIIJPZLLE-UHFFFAOYSA-N 2 0 328.298 3.329 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001134772712 1376711660 /nfs/dbraw/zinc/71/16/60/1376711660.db2.gz GYJKSHBUZQNSMW-MSOLQXFVSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001134774292 1376713793 /nfs/dbraw/zinc/71/37/93/1376713793.db2.gz XFOPCVXUXXKFFV-IAGOWNOFSA-N 2 0 333.520 3.098 20 0 EGADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784066 1376718637 /nfs/dbraw/zinc/71/86/37/1376718637.db2.gz RESPDVLIENHUGY-ROUUACIJSA-N 2 0 348.535 3.361 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791374 1376724546 /nfs/dbraw/zinc/72/45/46/1376724546.db2.gz RALOFJBNLFMPOJ-DLBZAZTESA-N 2 0 337.552 3.479 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCF)ccc2c[nH+]cn21 ZINC001134808907 1376737309 /nfs/dbraw/zinc/73/73/09/1376737309.db2.gz MVGBSTWDMXNZOU-CABCVRRESA-N 2 0 348.466 3.269 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)cs1 ZINC001134858644 1376758170 /nfs/dbraw/zinc/75/81/70/1376758170.db2.gz XGTWZTCKTQXNAP-CABCVRRESA-N 2 0 349.544 3.058 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134887643 1376768471 /nfs/dbraw/zinc/76/84/71/1376768471.db2.gz DPXGOEXPJZFCHU-JKSUJKDBSA-N 2 0 336.439 3.021 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994507 1376833524 /nfs/dbraw/zinc/83/35/24/1376833524.db2.gz RWPBRBDRBUHAEJ-HOTGVXAUSA-N 2 0 340.471 3.321 20 0 EGADRP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235038220 1376836312 /nfs/dbraw/zinc/83/63/12/1376836312.db2.gz DPSRSVNTDWTEGE-NRFANRHFSA-N 2 0 344.499 3.404 20 0 EGADRP c1csc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)s2)c1 ZINC001235037944 1376836639 /nfs/dbraw/zinc/83/66/39/1376836639.db2.gz RCDCCEQYBKBCOW-UKRRQHHQSA-N 2 0 334.510 3.287 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CCCC[C@@]34CC[NH2+]C4)C2)cc1 ZINC001235120404 1376850497 /nfs/dbraw/zinc/85/04/97/1376850497.db2.gz AQVLJENAOBOOPA-SFTDATJTSA-N 2 0 327.516 3.117 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@@H](CN3CCCC[C@]34CC[NH2+]C4)C2)cc1 ZINC001235120402 1376851478 /nfs/dbraw/zinc/85/14/78/1376851478.db2.gz AQVLJENAOBOOPA-NHCUHLMSSA-N 2 0 327.516 3.117 20 0 EGADRP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125290 1376854916 /nfs/dbraw/zinc/85/49/16/1376854916.db2.gz OMEKHMQGCWPVMQ-RTWAWAEBSA-N 2 0 327.516 3.259 20 0 EGADRP COc1cc(CN2CCCCC23CC[NH2+]CC3)cc2c1OCC=C2 ZINC001235191525 1376856938 /nfs/dbraw/zinc/85/69/38/1376856938.db2.gz PXNUGLMYBBQZJA-UHFFFAOYSA-N 2 0 328.456 3.209 20 0 EGADRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC001235192492 1376858790 /nfs/dbraw/zinc/85/87/90/1376858790.db2.gz BURTUPCGHJVIQM-HZPDHXFCSA-N 2 0 328.481 3.465 20 0 EGADRP CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339247 1376867699 /nfs/dbraw/zinc/86/76/99/1376867699.db2.gz XSTSNTBDHNOVGR-MOPGFXCFSA-N 2 0 337.552 3.362 20 0 EGADRP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)OCCCO2 ZINC001235429190 1376870165 /nfs/dbraw/zinc/87/01/65/1376870165.db2.gz QCIOZZRSQMMYDK-ROUUACIJSA-N 2 0 330.472 3.060 20 0 EGADRP COc1ccc2nccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235427639 1376871016 /nfs/dbraw/zinc/87/10/16/1376871016.db2.gz MTBXDXNYWQGGRS-IAGOWNOFSA-N 2 0 339.483 3.455 20 0 EGADRP Clc1cccn2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC001235431289 1376871812 /nfs/dbraw/zinc/87/18/12/1376871812.db2.gz ZHEHUHVFMHAGID-CABCVRRESA-N 2 0 332.879 3.199 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135078125 1376882654 /nfs/dbraw/zinc/88/26/54/1376882654.db2.gz ZFRLSKBQBCYJFH-KNFPLBEISA-N 2 0 343.943 3.266 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC(C3CC[NH2+]CC3)CC2)CC1 ZINC001235703911 1376884500 /nfs/dbraw/zinc/88/45/00/1376884500.db2.gz VLFBWSUFZBUPIH-RUCARUNLSA-N 2 0 336.520 3.068 20 0 EGADRP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081498 1376884682 /nfs/dbraw/zinc/88/46/82/1376884682.db2.gz NIDNVOPESWRCBM-BTFXCVNISA-N 2 0 337.552 3.480 20 0 EGADRP Clc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1-n1cccn1 ZINC001235886654 1376911191 /nfs/dbraw/zinc/91/11/91/1376911191.db2.gz ADNLLXCPJMASSV-GOSISDBHSA-N 2 0 344.890 3.490 20 0 EGADRP Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c(C)c1 ZINC001235946985 1376921621 /nfs/dbraw/zinc/92/16/21/1376921621.db2.gz FNLOJNDSWUCRPO-UHFFFAOYSA-N 2 0 335.495 3.271 20 0 EGADRP c1ccc(C[N@H+](C2CC2)[C@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236207921 1376941003 /nfs/dbraw/zinc/94/10/03/1376941003.db2.gz DDKGRMKIQPPOLZ-FPOVZHCZSA-N 2 0 327.516 3.115 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179899 1376953853 /nfs/dbraw/zinc/95/38/53/1376953853.db2.gz BMJLBIZHHJMOHB-DLBZAZTESA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135298143 1377026370 /nfs/dbraw/zinc/02/63/70/1377026370.db2.gz LAWQYXQZHQIOQR-JKSUJKDBSA-N 2 0 337.508 3.264 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001135297422 1377026452 /nfs/dbraw/zinc/02/64/52/1377026452.db2.gz BGUUQPRMBQBTJD-ROUUACIJSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001135297420 1377026600 /nfs/dbraw/zinc/02/66/00/1377026600.db2.gz BGUUQPRMBQBTJD-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP FC(F)(F)c1cc(C[NH2+][C@H]2CSC3(C[NH2+]C3)C2)ccc1Cl ZINC001246160998 1377050323 /nfs/dbraw/zinc/05/03/23/1377050323.db2.gz WVFUGVHYNFHELF-SNVBAGLBSA-N 2 0 336.810 3.296 20 0 EGADRP CCCC[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380424 1377051500 /nfs/dbraw/zinc/05/15/00/1377051500.db2.gz HCGJRZVKWWOWKV-MOPGFXCFSA-N 2 0 347.522 3.391 20 0 EGADRP C[NH2+]C1CCC([N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001246545067 1377052174 /nfs/dbraw/zinc/05/21/74/1377052174.db2.gz XBZFHYURRAKOPF-ACBHZAAOSA-N 2 0 330.472 3.115 20 0 EGADRP [NH3+]C[C@@H]1CCCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246546271 1377052429 /nfs/dbraw/zinc/05/24/29/1377052429.db2.gz ZVDFOAVXOQOWNJ-WOZUAGRISA-N 2 0 327.516 3.385 20 0 EGADRP CC[C@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722086 1377053691 /nfs/dbraw/zinc/05/36/91/1377053691.db2.gz GXVFWTHEHVXXQF-RMJJICAUSA-N 2 0 329.488 3.093 20 0 EGADRP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246747804 1377054277 /nfs/dbraw/zinc/05/42/77/1377054277.db2.gz RXOKLLKPXRKSQY-QMCVQRASSA-N 2 0 347.528 3.094 20 0 EGADRP CCCC[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC001246938215 1377055940 /nfs/dbraw/zinc/05/59/40/1377055940.db2.gz WPEYBEFMXMALSI-HXUWFJFHSA-N 2 0 329.532 3.158 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1cccc2ccccc21 ZINC001135371275 1377059695 /nfs/dbraw/zinc/05/96/95/1377059695.db2.gz DWXRMZICMBFTMF-SJORKVTESA-N 2 0 341.499 3.164 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390213 1377068953 /nfs/dbraw/zinc/06/89/53/1377068953.db2.gz ILBVZYIWLWSBBH-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001135390227 1377069195 /nfs/dbraw/zinc/06/91/95/1377069195.db2.gz IQTXILKPCVOTBQ-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CCc1ccccc1CC ZINC001135436881 1377097279 /nfs/dbraw/zinc/09/72/79/1377097279.db2.gz DTHRQZUIKGBVMR-UHFFFAOYSA-N 2 0 347.547 3.009 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001135440787 1377098456 /nfs/dbraw/zinc/09/84/56/1377098456.db2.gz REGPNGZCRYIWNV-INIZCTEOSA-N 2 0 337.483 3.105 20 0 EGADRP [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254372663 1377103714 /nfs/dbraw/zinc/10/37/14/1377103714.db2.gz MHHTUEHBVCMPFC-MRXNPFEDSA-N 2 0 342.405 3.220 20 0 EGADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254509586 1377105766 /nfs/dbraw/zinc/10/57/66/1377105766.db2.gz PDFSKBTWZLXOTJ-CJNGLKHVSA-N 2 0 325.294 3.454 20 0 EGADRP COc1cccc(OCC2CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)c1 ZINC001254529863 1377106718 /nfs/dbraw/zinc/10/67/18/1377106718.db2.gz RYVZBYJVCVPMKK-SFHVURJKSA-N 2 0 332.488 3.270 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001254530205 1377107237 /nfs/dbraw/zinc/10/72/37/1377107237.db2.gz VBROFOVGCVPRLJ-CTNGQTDRSA-N 2 0 327.516 3.166 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C(C)C)C(C)C ZINC001135473984 1377110274 /nfs/dbraw/zinc/11/02/74/1377110274.db2.gz CMHIDCFIYFNKAA-HXUWFJFHSA-N 2 0 347.547 3.382 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476194 1377110841 /nfs/dbraw/zinc/11/08/41/1377110841.db2.gz JFMIYGWXCAPALF-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477250 1377111676 /nfs/dbraw/zinc/11/16/76/1377111676.db2.gz UANKSIGBSOOEJW-JKSUJKDBSA-N 2 0 327.557 3.273 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135480354 1377112112 /nfs/dbraw/zinc/11/21/12/1377112112.db2.gz BDNDHJRVKVJSBX-DLBZAZTESA-N 2 0 339.568 3.418 20 0 EGADRP CC(C)[N@@H+](C1CCN(C(=O)c2ccccc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258639745 1377118434 /nfs/dbraw/zinc/11/84/34/1377118434.db2.gz SQWZIOQEOYHZLY-WGSAOQKQSA-N 2 0 343.515 3.272 20 0 EGADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001135511717 1377122979 /nfs/dbraw/zinc/12/29/79/1377122979.db2.gz ZTZYYKWCBAWMEK-GFCCVEGCSA-N 2 0 346.302 3.102 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676501 1377181038 /nfs/dbraw/zinc/18/10/38/1377181038.db2.gz XJWXYJJGJJWZNJ-HOTGVXAUSA-N 2 0 331.504 3.035 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001135690324 1377184289 /nfs/dbraw/zinc/18/42/89/1377184289.db2.gz GMLHDZGYNHNZLP-QZTJIDSGSA-N 2 0 325.541 3.338 20 0 EGADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768314 1377206032 /nfs/dbraw/zinc/20/60/32/1377206032.db2.gz NZBLTTCGGJHYRZ-MSOLQXFVSA-N 2 0 325.541 3.027 20 0 EGADRP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135769002 1377206875 /nfs/dbraw/zinc/20/68/75/1377206875.db2.gz VPFHOQYWICGBKH-YMHTTXFNSA-N 2 0 337.552 3.338 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135789250 1377211461 /nfs/dbraw/zinc/21/14/61/1377211461.db2.gz QMWRCNNNCDDHPN-ZWKOTPCHSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135858241 1377237176 /nfs/dbraw/zinc/23/71/76/1377237176.db2.gz VOXVLOMNWZUPML-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135858451 1377237190 /nfs/dbraw/zinc/23/71/90/1377237190.db2.gz YHBUZYUIBMXPOC-CABCVRRESA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135861487 1377238732 /nfs/dbraw/zinc/23/87/32/1377238732.db2.gz RSZMZUPPVHOFHW-KGLIPLIRSA-N 2 0 339.549 3.080 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C)[NH2+]CC1CCCCC1 ZINC001135944190 1377272960 /nfs/dbraw/zinc/27/29/60/1377272960.db2.gz GMERIHSMGUMGIO-CVEARBPZSA-N 2 0 346.519 3.214 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944873 1377273595 /nfs/dbraw/zinc/27/35/95/1377273595.db2.gz RQCKMMNZFOQYGX-LSDHHAIUSA-N 2 0 334.508 3.070 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135945328 1377273640 /nfs/dbraw/zinc/27/36/40/1377273640.db2.gz YTCDPRWSPNNWLS-HZPDHXFCSA-N 2 0 334.508 3.214 20 0 EGADRP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135965391 1377278395 /nfs/dbraw/zinc/27/83/95/1377278395.db2.gz BSJNITOMECFXHZ-RKQNLGICSA-N 2 0 325.541 3.338 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)c(C)c1 ZINC001135973950 1377283030 /nfs/dbraw/zinc/28/30/30/1377283030.db2.gz FVURGXPCCGVFSL-RTBURBONSA-N 2 0 347.547 3.408 20 0 EGADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)cs1 ZINC001135974682 1377283799 /nfs/dbraw/zinc/28/37/99/1377283799.db2.gz SUOMKTMLDNSEEG-LSDHHAIUSA-N 2 0 339.549 3.161 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135975965 1377284442 /nfs/dbraw/zinc/28/44/42/1377284442.db2.gz FTSLZVCDDVODKR-OLZOCXBDSA-N 2 0 345.940 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001135997121 1377293200 /nfs/dbraw/zinc/29/32/00/1377293200.db2.gz YRYSUHFAWNDIDN-QZTJIDSGSA-N 2 0 337.552 3.482 20 0 EGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001136759396 1377420685 /nfs/dbraw/zinc/42/06/85/1377420685.db2.gz DMJYYGLUEPVTDD-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001267207659 1377430381 /nfs/dbraw/zinc/43/03/81/1377430381.db2.gz GGOATTZYFMXRKW-GOSISDBHSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)Cc1cc(C)ccc1C ZINC001267250391 1377431409 /nfs/dbraw/zinc/43/14/09/1377431409.db2.gz NCJIELPZSZWSTM-UHFFFAOYSA-N 2 0 347.547 3.219 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267823801 1377472898 /nfs/dbraw/zinc/47/28/98/1377472898.db2.gz PTXWUJCCHONATG-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001268045957 1377484602 /nfs/dbraw/zinc/48/46/02/1377484602.db2.gz OJSPODFCOQMHEL-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)NCCC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001270125181 1377594930 /nfs/dbraw/zinc/59/49/30/1377594930.db2.gz SZCHOBNMEQBWBW-FXAWDEMLSA-N 2 0 345.531 3.306 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001138504735 1377735403 /nfs/dbraw/zinc/73/54/03/1377735403.db2.gz ICEIEVODCQGYIM-UHFFFAOYSA-N 2 0 338.499 3.076 20 0 EGADRP Cc1noc(C2CC[NH+](Cc3ccc(-n4ccnc4C)cc3)CC2)n1 ZINC001138548230 1377739863 /nfs/dbraw/zinc/73/98/63/1377739863.db2.gz AUBMKMIUFIBMOQ-UHFFFAOYSA-N 2 0 337.427 3.252 20 0 EGADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC001138614542 1377753530 /nfs/dbraw/zinc/75/35/30/1377753530.db2.gz CRQZYUGBOYDRGP-UHFFFAOYSA-N 2 0 336.483 3.312 20 0 EGADRP CNc1ncccc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138695264 1377769980 /nfs/dbraw/zinc/76/99/80/1377769980.db2.gz ZXBQMMCLSCTGRR-AZUAARDMSA-N 2 0 336.483 3.077 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCC(=O)c2ccccc2)cc1 ZINC001138772687 1377782366 /nfs/dbraw/zinc/78/23/66/1377782366.db2.gz WFLKEHANYUCELK-UHFFFAOYSA-N 2 0 340.467 3.332 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccccc1-n1cncn1 ZINC001139421891 1377881615 /nfs/dbraw/zinc/88/16/15/1377881615.db2.gz FQJNVJZXYBMBIK-OALUTQOASA-N 2 0 339.487 3.106 20 0 EGADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1C(C)C ZINC001139618153 1377919384 /nfs/dbraw/zinc/91/93/84/1377919384.db2.gz MHVUOCZPOVLPFP-VQTJNVASSA-N 2 0 345.531 3.029 20 0 EGADRP Clc1cnccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001139845641 1377961494 /nfs/dbraw/zinc/96/14/94/1377961494.db2.gz ISMSHZVACBJXPK-UHFFFAOYSA-N 2 0 337.895 3.059 20 0 EGADRP CCC[NH+]1C[C@H]2CN(Cc3ccc(OC)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140491571 1378072197 /nfs/dbraw/zinc/07/21/97/1378072197.db2.gz GWYJBAUIWPTSME-OALUTQOASA-N 2 0 344.499 3.258 20 0 EGADRP CC(C)=CCNC(=O)[C@@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272716373 1378079865 /nfs/dbraw/zinc/07/98/65/1378079865.db2.gz FGLFBNNQDOTWLL-IBGZPJMESA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+](C)CC1(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)CCCC1 ZINC001273135503 1378090116 /nfs/dbraw/zinc/09/01/16/1378090116.db2.gz HLPRUWJNHFLSFX-RTBURBONSA-N 2 0 347.547 3.116 20 0 EGADRP OCc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140684196 1378114006 /nfs/dbraw/zinc/11/40/06/1378114006.db2.gz GYTNPSNNDDPORA-RTBURBONSA-N 2 0 340.467 3.116 20 0 EGADRP COc1ccc2nc(Cl)c(C[NH+]3CCC4(C[NH+](C)C4)CC3)cc2c1 ZINC001141065327 1378224862 /nfs/dbraw/zinc/22/48/62/1378224862.db2.gz CQHOHOFGVREJFK-UHFFFAOYSA-N 2 0 345.874 3.424 20 0 EGADRP Cc1cc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)ccc1Cl ZINC001141236426 1378278866 /nfs/dbraw/zinc/27/88/66/1378278866.db2.gz DJDDILISSDFSNO-UHFFFAOYSA-N 2 0 335.923 3.108 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1 ZINC001281968375 1378465637 /nfs/dbraw/zinc/46/56/37/1378465637.db2.gz KEIXSVLVLSPFHI-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCC1)[NH+](C)C ZINC001282663236 1378532091 /nfs/dbraw/zinc/53/20/91/1378532091.db2.gz APNWYLAZDFOIHB-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1)C1CCC1 ZINC001282667951 1378541630 /nfs/dbraw/zinc/54/16/30/1378541630.db2.gz SVGADCQFADALBU-FQEVSTJZSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001282678695 1378552047 /nfs/dbraw/zinc/55/20/47/1378552047.db2.gz YTYIYOAHANUDAP-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP COc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC001143371450 1378587591 /nfs/dbraw/zinc/58/75/91/1378587591.db2.gz ULNYXHGJRLVZJI-UHFFFAOYSA-N 2 0 326.843 3.405 20 0 EGADRP C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001282740489 1378591339 /nfs/dbraw/zinc/59/13/39/1378591339.db2.gz OYLBFKZYJUWQRS-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143542623 1378613401 /nfs/dbraw/zinc/61/34/01/1378613401.db2.gz GRUJXUVGMDLCPO-UHFFFAOYSA-N 2 0 334.357 3.498 20 0 EGADRP C[N@@H+](Cc1ccnc(NC(=O)OC(C)(C)C)c1)CC1CC[NH+](C)CC1 ZINC001143691386 1378635553 /nfs/dbraw/zinc/63/55/53/1378635553.db2.gz FHWKDHVLFODSAK-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP COc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1OC(F)(F)F ZINC001143868140 1378654849 /nfs/dbraw/zinc/65/48/49/1378654849.db2.gz PJAVIJVHYGZDPV-UHFFFAOYSA-N 2 0 332.366 3.120 20 0 EGADRP CCc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc(CC)c1O ZINC001144151509 1378688920 /nfs/dbraw/zinc/68/89/20/1378688920.db2.gz VKOJTGMECSXLIU-UHFFFAOYSA-N 2 0 349.563 3.222 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1nc(C)c(C)s1 ZINC001144378579 1378722788 /nfs/dbraw/zinc/72/27/88/1378722788.db2.gz RADZNHGWIUJBOF-UHFFFAOYSA-N 2 0 340.581 3.246 20 0 EGADRP CCc1cccc(C[NH+](C)C2CCN(C(=O)CC[N@@H+](C)CC)CC2)c1 ZINC001283335128 1378818709 /nfs/dbraw/zinc/81/87/09/1378818709.db2.gz QSEGSRPGPOWPSI-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533497 1378861516 /nfs/dbraw/zinc/86/15/16/1378861516.db2.gz GQWXFAPNILSTEM-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001146608764 1378876983 /nfs/dbraw/zinc/87/69/83/1378876983.db2.gz BACUCHQKYQILLK-IRXDYDNUSA-N 2 0 349.494 3.075 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001146611641 1378878109 /nfs/dbraw/zinc/87/81/09/1378878109.db2.gz NFCNEXIUCTVDQB-RBUKOAKNSA-N 2 0 345.531 3.244 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001147359545 1379009200 /nfs/dbraw/zinc/00/92/00/1379009200.db2.gz RJMYVSOFHKDPKL-MSOLQXFVSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001147449497 1379023589 /nfs/dbraw/zinc/02/35/89/1379023589.db2.gz SKKGZGGXHXHNGF-MRXNPFEDSA-N 2 0 347.494 3.030 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]Cc1ccc(CC)cc1 ZINC001147449130 1379023647 /nfs/dbraw/zinc/02/36/47/1379023647.db2.gz KADGMLGSLVZNAN-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716270 1379064611 /nfs/dbraw/zinc/06/46/11/1379064611.db2.gz CEORTQKZLYVHFA-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717569 1379065231 /nfs/dbraw/zinc/06/52/31/1379065231.db2.gz ZRXXHQLNMKRDHG-ZMBJWTFHSA-N 2 0 347.547 3.140 20 0 EGADRP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385781 1379161183 /nfs/dbraw/zinc/16/11/83/1379161183.db2.gz QWKOLYLYOLCNAK-ZMBJWTFHSA-N 2 0 347.547 3.140 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001148418041 1379168580 /nfs/dbraw/zinc/16/85/80/1379168580.db2.gz ABZNCWNHRWILFY-RBUKOAKNSA-N 2 0 347.547 3.118 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148551728 1379209740 /nfs/dbraw/zinc/20/97/40/1379209740.db2.gz STHWUJTWDCOQGF-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001148571167 1379214074 /nfs/dbraw/zinc/21/40/74/1379214074.db2.gz YPRCRQACDUABMS-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2 ZINC001148640865 1379232505 /nfs/dbraw/zinc/23/25/05/1379232505.db2.gz QIAQZITZBQJKHS-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCC[N@@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001148827439 1379277418 /nfs/dbraw/zinc/27/74/18/1379277418.db2.gz COKVZFDKONXYEU-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001149041435 1379314262 /nfs/dbraw/zinc/31/42/62/1379314262.db2.gz DIJIOZGVAUXBEK-MISYRCLQSA-N 2 0 345.531 3.258 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001151361654 1379704712 /nfs/dbraw/zinc/70/47/12/1379704712.db2.gz LXHRTDNULJXNFK-SFHVURJKSA-N 2 0 331.504 3.028 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001151361701 1379705824 /nfs/dbraw/zinc/70/58/24/1379705824.db2.gz NXKFVMZAQUUWPD-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC001152245133 1379893521 /nfs/dbraw/zinc/89/35/21/1379893521.db2.gz AZEQMWNAEHKUOH-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP CCC/C=C/CC[NH2+]CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001153266320 1380046900 /nfs/dbraw/zinc/04/69/00/1380046900.db2.gz AWFCENLJKUUYGV-CMDGGOBGSA-N 2 0 335.492 3.187 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313476 1380053866 /nfs/dbraw/zinc/05/38/66/1380053866.db2.gz SGUDGAHNIITBJS-IEBWSBKVSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC ZINC001153721036 1380118558 /nfs/dbraw/zinc/11/85/58/1380118558.db2.gz ROZARTOBPXDCFV-SJLPKXTDSA-N 2 0 325.541 3.124 20 0 EGADRP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879954 1380148785 /nfs/dbraw/zinc/14/87/85/1380148785.db2.gz QFLYEFGUMWRIKI-QZTJIDSGSA-N 2 0 325.541 3.268 20 0 EGADRP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880011 1380148944 /nfs/dbraw/zinc/14/89/44/1380148944.db2.gz SZPFGTOFYCFIDY-QUCCMNQESA-N 2 0 345.531 3.196 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123420 1380213052 /nfs/dbraw/zinc/21/30/52/1380213052.db2.gz ZCAYXTWJYAACFY-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348184 1380261400 /nfs/dbraw/zinc/26/14/00/1380261400.db2.gz UDANARFFNSWALZ-DLBZAZTESA-N 2 0 344.503 3.457 20 0 EGADRP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455181 1380280883 /nfs/dbraw/zinc/28/08/83/1380280883.db2.gz JAKLEJUTQITCDU-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480942 1380285651 /nfs/dbraw/zinc/28/56/51/1380285651.db2.gz HRQLQHVNYBIBAC-GOSISDBHSA-N 2 0 337.552 3.291 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844327 1380362817 /nfs/dbraw/zinc/36/28/17/1380362817.db2.gz BGMWZYMXCLDNGG-MJGOQNOKSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085805 1380405962 /nfs/dbraw/zinc/40/59/62/1380405962.db2.gz TWNPXCNSKPBQDI-UYAOXDASSA-N 2 0 347.547 3.216 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCc1ccccc1)[NH+](CC)CC ZINC001155174984 1380419498 /nfs/dbraw/zinc/41/94/98/1380419498.db2.gz OAJLGRGBLBPVDM-QUCCMNQESA-N 2 0 347.547 3.176 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180871 1380420288 /nfs/dbraw/zinc/42/02/88/1380420288.db2.gz VABSHHKYUYOQIP-SJLPKXTDSA-N 2 0 327.557 3.370 20 0 EGADRP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155225833 1380426441 /nfs/dbraw/zinc/42/64/41/1380426441.db2.gz AFDBYUUYTCLROO-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc2c(c1)[C@@H](Nc1ncc(C)cc1C[NH3+])CC21CC[NH2+]CC1 ZINC001155442070 1380454220 /nfs/dbraw/zinc/45/42/20/1380454220.db2.gz IPVFYLZGYXBKRD-IBGZPJMESA-N 2 0 336.483 3.335 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155619993 1380474990 /nfs/dbraw/zinc/47/49/90/1380474990.db2.gz FKNUQOWEOSWLOZ-MSOLQXFVSA-N 2 0 343.531 3.216 20 0 EGADRP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994189 1380511627 /nfs/dbraw/zinc/51/16/27/1380511627.db2.gz JTZJJQIWPGXEPU-RTBURBONSA-N 2 0 339.568 3.227 20 0 EGADRP CC[NH+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156199601 1380540918 /nfs/dbraw/zinc/54/09/18/1380540918.db2.gz BUIAHXQUWKTDRI-OAHLLOKOSA-N 2 0 339.911 3.008 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC=C(C)C ZINC001156305591 1380555355 /nfs/dbraw/zinc/55/53/55/1380555355.db2.gz FCKZYBHLRBOFAC-RTBURBONSA-N 2 0 337.552 3.434 20 0 EGADRP CN(C)c1cccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001156315202 1380556962 /nfs/dbraw/zinc/55/69/62/1380556962.db2.gz LENLVMBBEAEFAC-IPMKNSEASA-N 2 0 336.483 3.470 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C(C)C)cc1 ZINC001156525267 1380587987 /nfs/dbraw/zinc/58/79/87/1380587987.db2.gz MLUCWSLJJJHQBX-GOSISDBHSA-N 2 0 347.547 3.478 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCc3ccc4c(c3)CCO4)c2)CC1 ZINC001156974972 1380741207 /nfs/dbraw/zinc/74/12/07/1380741207.db2.gz OIWQSXMYZKAASX-UHFFFAOYSA-N 2 0 339.439 3.102 20 0 EGADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098651 1380774960 /nfs/dbraw/zinc/77/49/60/1380774960.db2.gz QXLCJCMMIVGMJS-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118966 1380779547 /nfs/dbraw/zinc/77/95/47/1380779547.db2.gz QGMLSMPCLVZKNK-JCMVTEASSA-N 2 0 337.552 3.290 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157118340 1380779755 /nfs/dbraw/zinc/77/97/55/1380779755.db2.gz CREZPRXYKVMWQC-MSOLQXFVSA-N 2 0 325.541 3.124 20 0 EGADRP [NH3+]CC1(CC(=O)N2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC001157578262 1380970129 /nfs/dbraw/zinc/97/01/29/1380970129.db2.gz AKENAMMWVUJWQA-UHFFFAOYSA-N 2 0 335.536 3.010 20 0 EGADRP COc1cccc(N(c2cc3[nH]ccc3c(C)[nH+]2)C2CC[NH2+]CC2)n1 ZINC001158060351 1381117178 /nfs/dbraw/zinc/11/71/78/1381117178.db2.gz OYFXEWOOKMZFFX-UHFFFAOYSA-N 2 0 337.427 3.165 20 0 EGADRP CC(C)(C)CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100057 1381127357 /nfs/dbraw/zinc/12/73/57/1381127357.db2.gz VYDYFRDNTOCCTL-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100240 1381127523 /nfs/dbraw/zinc/12/75/23/1381127523.db2.gz YTSASAHYLAPBDF-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001158155166 1381143440 /nfs/dbraw/zinc/14/34/40/1381143440.db2.gz LAVDXHPKBKVQRW-LJQANCHMSA-N 2 0 346.519 3.021 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158289350 1381186761 /nfs/dbraw/zinc/18/67/61/1381186761.db2.gz DVFAFEGWTFAZIR-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158445704 1381248619 /nfs/dbraw/zinc/24/86/19/1381248619.db2.gz NZKSYDDRSWCHGE-RBUKOAKNSA-N 2 0 339.568 3.323 20 0 EGADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCCC1 ZINC001158449873 1381249886 /nfs/dbraw/zinc/24/98/86/1381249886.db2.gz IJQVIBADNOVCTI-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480226 1381261638 /nfs/dbraw/zinc/26/16/38/1381261638.db2.gz JFHSXQSSFQIMHE-IAGOWNOFSA-N 2 0 343.531 3.025 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001755587519 1440880720 /nfs/dbraw/zinc/88/07/20/1440880720.db2.gz FVTDYBJLPCAQSE-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001158768307 1381390484 /nfs/dbraw/zinc/39/04/84/1381390484.db2.gz RXUPPGROXUETMM-CTWPCTMYSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001158786610 1381398730 /nfs/dbraw/zinc/39/87/30/1381398730.db2.gz ABJPQKQPFKOVTJ-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001158801100 1381405326 /nfs/dbraw/zinc/40/53/26/1381405326.db2.gz RLHNPMKNBOXWFV-CNTHDYSMSA-N 2 0 347.547 3.142 20 0 EGADRP COc1ccc([C@@H]2C[C@H]2C(=O)Nc2c[nH+]ccc2-n2ccnc2C)cc1 ZINC001328329942 1388724111 /nfs/dbraw/zinc/72/41/11/1388724111.db2.gz PLBBWEAUAYHTNF-DLBZAZTESA-N 2 0 348.406 3.327 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[NH2+]C3)CC2)nc1 ZINC001159050136 1381541661 /nfs/dbraw/zinc/54/16/61/1381541661.db2.gz SQYTWXKUZANTJG-GOSISDBHSA-N 2 0 328.504 3.208 20 0 EGADRP CC(C)C[NH2+]Cc1ccc(Nc2nc3c(s2)C[C@H]([NH3+])CC3)cc1 ZINC001159138559 1381652562 /nfs/dbraw/zinc/65/25/62/1381652562.db2.gz JAMBCFLTFHWDIH-CQSZACIVSA-N 2 0 330.501 3.448 20 0 EGADRP CC(C)([NH3+])c1ccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)cc1 ZINC001159345020 1381772581 /nfs/dbraw/zinc/77/25/81/1381772581.db2.gz YGVVOGPSXKVBLH-UHFFFAOYSA-N 2 0 340.471 3.397 20 0 EGADRP c1cnc(O[C@@H]2CC[NH2+]C2)c(Nc2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001159351331 1381773739 /nfs/dbraw/zinc/77/37/39/1381773739.db2.gz PRBNSLYDLYEXTF-GOSISDBHSA-N 2 0 338.455 3.033 20 0 EGADRP C[NH+](C)CCOc1cccc(Nc2ccc3c(c2)CC[NH2+]CC3)c1 ZINC001159680861 1381865734 /nfs/dbraw/zinc/86/57/34/1381865734.db2.gz DGAMPNAXFJFJSX-UHFFFAOYSA-N 2 0 325.456 3.059 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001159786640 1381899935 /nfs/dbraw/zinc/89/99/35/1381899935.db2.gz GGZMJZWKBORVFI-CYBMUJFWSA-N 2 0 347.875 3.447 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc(Cl)nc1Oc1ccccc1Cl ZINC001159789088 1381901236 /nfs/dbraw/zinc/90/12/36/1381901236.db2.gz QBZGTRFPIPBBSZ-LBPRGKRZSA-N 2 0 342.230 3.011 20 0 EGADRP C[NH2+]Cc1cccc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)c1 ZINC001159861914 1381922654 /nfs/dbraw/zinc/92/26/54/1381922654.db2.gz HUJMRKDRUMDNRV-UHFFFAOYSA-N 2 0 330.863 3.213 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159911478 1381935066 /nfs/dbraw/zinc/93/50/66/1381935066.db2.gz YXDYOBPUMXASJC-RTBURBONSA-N 2 0 345.531 3.415 20 0 EGADRP c1nn(C2CC[NH2+]CC2)cc1Nc1ccc(CC2CC[NH2+]CC2)cc1 ZINC001160015560 1381969142 /nfs/dbraw/zinc/96/91/42/1381969142.db2.gz WYKRKNITWIRZPV-UHFFFAOYSA-N 2 0 339.487 3.093 20 0 EGADRP Fc1cccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1N1CC[NH2+]CC1 ZINC001160113784 1382000727 /nfs/dbraw/zinc/00/07/27/1382000727.db2.gz DSYIUIUHUJVWPE-KRWDZBQOSA-N 2 0 344.478 3.179 20 0 EGADRP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001160134619 1382010731 /nfs/dbraw/zinc/01/07/31/1382010731.db2.gz OSUNKNFCUUNWDM-UHFFFAOYSA-N 2 0 341.430 3.346 20 0 EGADRP C[NH+](C)Cc1ccc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001160141433 1382012910 /nfs/dbraw/zinc/01/29/10/1382012910.db2.gz NZTBWYDJMZSFDZ-QGZVFWFLSA-N 2 0 329.419 3.372 20 0 EGADRP Cc1c[nH+]ccc1Nc1ccc([C@@H](O)C[NH2+]CCc2ccccc2)cc1 ZINC001160254085 1382050728 /nfs/dbraw/zinc/05/07/28/1382050728.db2.gz YIGUKLYNRIFXLT-QFIPXVFZSA-N 2 0 347.462 3.421 20 0 EGADRP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160473485 1382116816 /nfs/dbraw/zinc/11/68/16/1382116816.db2.gz JPQKXUJXIKZKFK-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160500713 1382125320 /nfs/dbraw/zinc/12/53/20/1382125320.db2.gz QZLGAYHEOTUAGB-QUCCMNQESA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617246 1382153744 /nfs/dbraw/zinc/15/37/44/1382153744.db2.gz JVQNQUJPNUODBY-UHFFFAOYSA-N 2 0 338.455 3.053 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160618002 1382153891 /nfs/dbraw/zinc/15/38/91/1382153891.db2.gz YJFSNMJRLIOCIA-MRXNPFEDSA-N 2 0 340.471 3.132 20 0 EGADRP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C)cc1 ZINC001160751323 1382186651 /nfs/dbraw/zinc/18/66/51/1382186651.db2.gz WGMDEIAHPILVEF-UXHICEINSA-N 2 0 347.547 3.190 20 0 EGADRP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160870580 1382220272 /nfs/dbraw/zinc/22/02/72/1382220272.db2.gz ZLVMAECNMTYQMG-RTBURBONSA-N 2 0 349.563 3.316 20 0 EGADRP [NH3+]CCc1cn(-c2ncc3c(n2)-c2ccccc2CC3)c2cc[nH+]cc12 ZINC001160949995 1382249322 /nfs/dbraw/zinc/24/93/22/1382249322.db2.gz HYYCWKZJLGEOFG-UHFFFAOYSA-N 2 0 341.418 3.082 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161021776 1382275732 /nfs/dbraw/zinc/27/57/32/1382275732.db2.gz UNRDSYBERUAZMT-UHFFFAOYSA-N 2 0 345.487 3.059 20 0 EGADRP C[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001161101868 1382297965 /nfs/dbraw/zinc/29/79/65/1382297965.db2.gz NQGMCEDSOBVHBF-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161219935 1382346209 /nfs/dbraw/zinc/34/62/09/1382346209.db2.gz REJMNMAZMSZICO-GOSISDBHSA-N 2 0 347.547 3.189 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220163 1382346961 /nfs/dbraw/zinc/34/69/61/1382346961.db2.gz WRVWKEJCLLOUOI-UHFFFAOYSA-N 2 0 349.563 3.293 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383272 1382391516 /nfs/dbraw/zinc/39/15/16/1382391516.db2.gz OSSDGVSCCKXRFF-OALUTQOASA-N 2 0 349.563 3.435 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391697 1382397317 /nfs/dbraw/zinc/39/73/17/1382397317.db2.gz VVGJNOQDYURHQD-SNAWJCMRSA-N 2 0 347.547 3.213 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC001161412966 1382402654 /nfs/dbraw/zinc/40/26/54/1382402654.db2.gz NCDFHZRPEBYOAQ-HAGHYFMRSA-N 2 0 343.515 3.045 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001328588300 1388783740 /nfs/dbraw/zinc/78/37/40/1388783740.db2.gz CGPDZNUXILOAFS-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CCCCCC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161524743 1382430599 /nfs/dbraw/zinc/43/05/99/1382430599.db2.gz MHDWSCFVFSNVSD-UHFFFAOYSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001161638456 1382466895 /nfs/dbraw/zinc/46/68/95/1382466895.db2.gz PMYCXAFTQRDWAA-ACBHZAAOSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001161644945 1382468783 /nfs/dbraw/zinc/46/87/83/1382468783.db2.gz VRZWGFVQVHVPGZ-QUCCMNQESA-N 2 0 345.531 3.272 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001161645979 1382469222 /nfs/dbraw/zinc/46/92/22/1382469222.db2.gz XJPVMKSUKIJWER-GOSISDBHSA-N 2 0 337.552 3.149 20 0 EGADRP C[NH+](C)CCCCC(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001161734121 1382492290 /nfs/dbraw/zinc/49/22/90/1382492290.db2.gz SHMSVTXTDSOWMC-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](Cc2ccsc2)CC1 ZINC001161749630 1382494361 /nfs/dbraw/zinc/49/43/61/1382494361.db2.gz AAKLTFYDUGDSHC-UHFFFAOYSA-N 2 0 349.544 3.118 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161750034 1382495067 /nfs/dbraw/zinc/49/50/67/1382495067.db2.gz UJTXAGGKNNEIHQ-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP C[C@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1Cl ZINC001161795787 1382508229 /nfs/dbraw/zinc/50/82/29/1382508229.db2.gz PTZITCVBBSPVEB-HNNXBMFYSA-N 2 0 349.906 3.125 20 0 EGADRP C[NH+](C)Cc1ccnc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162187222 1382652408 /nfs/dbraw/zinc/65/24/08/1382652408.db2.gz HGAGBMAQICBTJS-WGSAOQKQSA-N 2 0 330.520 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)nc1 ZINC001162807795 1382879973 /nfs/dbraw/zinc/87/99/73/1382879973.db2.gz SIRTUBIRDGFHCF-FQEVSTJZSA-N 2 0 336.483 3.496 20 0 EGADRP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC001162988073 1382938915 /nfs/dbraw/zinc/93/89/15/1382938915.db2.gz QVTWAFMEKTVWMF-YSTOQKLRSA-N 2 0 329.488 3.170 20 0 EGADRP CC[NH+](CC)Cc1cccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1F ZINC001163653075 1383095848 /nfs/dbraw/zinc/09/58/48/1383095848.db2.gz FDMXBLBQRIKRMU-AZUAARDMSA-N 2 0 349.494 3.381 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001163851297 1383129440 /nfs/dbraw/zinc/12/94/40/1383129440.db2.gz JSWUAHIKVCWBNN-SFHVURJKSA-N 2 0 331.504 3.108 20 0 EGADRP CC(C)N(CCC[NH3+])c1cc(C[NH+](C)C)ccc1Br ZINC001164129099 1383159298 /nfs/dbraw/zinc/15/92/98/1383159298.db2.gz XQLSHYAGJZBCPG-UHFFFAOYSA-N 2 0 328.298 3.074 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2cc(C)ccc2C)C1 ZINC001164449931 1383188084 /nfs/dbraw/zinc/18/80/84/1383188084.db2.gz UJNJFCQRBOBUMI-LJQANCHMSA-N 2 0 345.531 3.021 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164541360 1383197672 /nfs/dbraw/zinc/19/76/72/1383197672.db2.gz ZGNRGJYNVOVJEG-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP C[NH+]1CCC(COc2ccc(NC=CC3CC[NH2+]CC3)cc2F)CC1 ZINC001165213642 1383250119 /nfs/dbraw/zinc/25/01/19/1383250119.db2.gz JFBCZNVVHUPGQY-WDZFZDKYSA-N 2 0 347.478 3.472 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165334651 1383276091 /nfs/dbraw/zinc/27/60/91/1383276091.db2.gz ZLNIAYTXSNOPKV-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472234 1383299948 /nfs/dbraw/zinc/29/99/48/1383299948.db2.gz IFMIKFZOOQZLNJ-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472546 1383300046 /nfs/dbraw/zinc/30/00/46/1383300046.db2.gz MRCQHIIOZZXTSI-SFFCAUCYSA-N 2 0 349.563 3.197 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472549 1383300441 /nfs/dbraw/zinc/30/04/41/1383300441.db2.gz MRCQHIIOZZXTSI-ZMBJWTFHSA-N 2 0 349.563 3.197 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165567981 1383310999 /nfs/dbraw/zinc/31/09/99/1383310999.db2.gz CUXASDMBJUGZRW-XDXAGZTOSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165569097 1383311365 /nfs/dbraw/zinc/31/13/65/1383311365.db2.gz RSPKERWBNGWSDI-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728370 1383334666 /nfs/dbraw/zinc/33/46/66/1383334666.db2.gz QJJGJALIYQUEHA-MSOLQXFVSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165992822 1383374241 /nfs/dbraw/zinc/37/42/41/1383374241.db2.gz JZNJSZCOBJLJAE-UHFFFAOYSA-N 2 0 328.460 3.014 20 0 EGADRP CC(C)Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001166011182 1383377423 /nfs/dbraw/zinc/37/74/23/1383377423.db2.gz YWTJXBLICKLUOS-HXUWFJFHSA-N 2 0 347.547 3.067 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CCCc1ccc(C)cc1)[NH+](CC)CC ZINC001166440334 1383422611 /nfs/dbraw/zinc/42/26/11/1383422611.db2.gz VVWNYSRCLFLPFC-HXUWFJFHSA-N 2 0 347.547 3.144 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1)[NH+](CC)CC ZINC001166454843 1383424266 /nfs/dbraw/zinc/42/42/66/1383424266.db2.gz OJASIHPUYSJZAC-QAPCUYQASA-N 2 0 337.483 3.103 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001166736475 1383468092 /nfs/dbraw/zinc/46/80/92/1383468092.db2.gz NEGSNCBXNRFWMT-MSOLQXFVSA-N 2 0 337.552 3.031 20 0 EGADRP C[N@H+](CC(=O)NCCC[NH2+]CC1CCCCCC1)CC(C)(C)C ZINC001166744084 1383470002 /nfs/dbraw/zinc/47/00/02/1383470002.db2.gz GXASUJBARBEXJD-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP C[N@H+](CCc1ccccc1)CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001166751798 1383471293 /nfs/dbraw/zinc/47/12/93/1383471293.db2.gz WUNORTJJGHSQID-UHFFFAOYSA-N 2 0 347.547 3.083 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793126 1383478203 /nfs/dbraw/zinc/47/82/03/1383478203.db2.gz FNOHWNZJNBYGPX-SFHVURJKSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001166858036 1383488829 /nfs/dbraw/zinc/48/88/29/1383488829.db2.gz LIAHLJVANWZEOT-FQEVSTJZSA-N 2 0 341.499 3.084 20 0 EGADRP Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc2c1C[NH2+]CC2 ZINC001166865348 1383489657 /nfs/dbraw/zinc/48/96/57/1383489657.db2.gz RDSVBNLPCRIOBI-FQEVSTJZSA-N 2 0 336.483 3.285 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001166882094 1383493511 /nfs/dbraw/zinc/49/35/11/1383493511.db2.gz JENNUJAQNLLIQT-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240140 1383573154 /nfs/dbraw/zinc/57/31/54/1383573154.db2.gz CGIVGRBYLDGKGV-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC(C)CCC[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167391597 1383620916 /nfs/dbraw/zinc/62/09/16/1383620916.db2.gz MTQKPTPSSWFETE-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167610727 1383688847 /nfs/dbraw/zinc/68/88/47/1383688847.db2.gz WQBIQQNVMDVHOU-ROUUACIJSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001167626682 1383692797 /nfs/dbraw/zinc/69/27/97/1383692797.db2.gz FFNWPKLNXIUDAG-LJQANCHMSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001167628366 1383693387 /nfs/dbraw/zinc/69/33/87/1383693387.db2.gz ZTGAUVPYXZJCSP-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001167639796 1383695666 /nfs/dbraw/zinc/69/56/66/1383695666.db2.gz GKVJOUOXIIFJBB-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001167639923 1383695887 /nfs/dbraw/zinc/69/58/87/1383695887.db2.gz HWFQNRRMXUKZMY-MRXNPFEDSA-N 2 0 349.494 3.105 20 0 EGADRP CCCC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167711063 1383719074 /nfs/dbraw/zinc/71/90/74/1383719074.db2.gz PXDUGRYJPPSHED-LJQANCHMSA-N 2 0 345.531 3.356 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@]2(COC)C1 ZINC001167821055 1383748724 /nfs/dbraw/zinc/74/87/24/1383748724.db2.gz AEZYGCYXCQQQID-OTWHNJEPSA-N 2 0 326.525 3.014 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001167828097 1383751256 /nfs/dbraw/zinc/75/12/56/1383751256.db2.gz WIOYYTDYOGBTAN-LAUBAEHRSA-N 2 0 343.515 3.117 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001167834477 1383753103 /nfs/dbraw/zinc/75/31/03/1383753103.db2.gz KLWHTIPJEGWDBA-RTBURBONSA-N 2 0 345.531 3.343 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(OC)c2)C1 ZINC001167836218 1383753743 /nfs/dbraw/zinc/75/37/43/1383753743.db2.gz XTIUZYJFFLAGRD-FUHWJXTLSA-N 2 0 335.492 3.054 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001167836625 1383754731 /nfs/dbraw/zinc/75/47/31/1383754731.db2.gz GDOIESRMEJYSJA-ICSRJNTNSA-N 3 0 339.568 3.072 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC001167836488 1383754900 /nfs/dbraw/zinc/75/49/00/1383754900.db2.gz DYZXYOGIMIVVRO-INIZCTEOSA-N 2 0 338.927 3.368 20 0 EGADRP OC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965904 1383781535 /nfs/dbraw/zinc/78/15/35/1383781535.db2.gz PTMXGTJHZMDIRC-YGFFAISXSA-N 2 0 348.918 3.238 20 0 EGADRP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167982148 1383786446 /nfs/dbraw/zinc/78/64/46/1383786446.db2.gz YEIYQRUEXUXROW-OHSMVPPVSA-N 2 0 348.918 3.411 20 0 EGADRP [NH3+]CCc1cn(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)c2ccc(O)cc12 ZINC001167990552 1383789384 /nfs/dbraw/zinc/78/93/84/1383789384.db2.gz WDOZWHWSISOHAH-MRXNPFEDSA-N 2 0 335.451 3.304 20 0 EGADRP CCOC(=O)C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1C ZINC001168002730 1383793179 /nfs/dbraw/zinc/79/31/79/1383793179.db2.gz WLWADVNIKZOIET-DZUNGVIMSA-N 2 0 348.531 3.303 20 0 EGADRP C[NH+]1CCC2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)CC1 ZINC001168003252 1383793888 /nfs/dbraw/zinc/79/38/88/1383793888.db2.gz LYEHHDRPEJXOSM-YOFSQIOKSA-N 2 0 331.548 3.200 20 0 EGADRP COC(=O)C12CC([NH2+]C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)(C1)C2 ZINC001168012402 1383796483 /nfs/dbraw/zinc/79/64/83/1383796483.db2.gz ZOXIEDYCKJLYNU-RKAKKKFESA-N 2 0 342.483 3.113 20 0 EGADRP CSCC[C@@H](CO)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168012182 1383796698 /nfs/dbraw/zinc/79/66/98/1383796698.db2.gz XNSVBVADGDVFOC-NUJGCVRESA-N 2 0 336.545 3.132 20 0 EGADRP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168020449 1383798204 /nfs/dbraw/zinc/79/82/04/1383798204.db2.gz NBGSSAGSCNFRMY-LZKBNWESSA-N 2 0 344.499 3.359 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168028902 1383799970 /nfs/dbraw/zinc/79/99/70/1383799970.db2.gz AEARBTIXFVGXKV-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168037137 1383800948 /nfs/dbraw/zinc/80/09/48/1383800948.db2.gz YWWALAGSJGRYET-DLRXZHIHSA-N 2 0 344.499 3.359 20 0 EGADRP C[C@@H]1CC(N2CC([NH+]3CCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051340 1383804478 /nfs/dbraw/zinc/80/44/78/1383804478.db2.gz HLUJTTUOFBHBBU-QZTJIDSGSA-N 2 0 327.516 3.208 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001168229965 1383849896 /nfs/dbraw/zinc/84/98/96/1383849896.db2.gz DVWPMLSGSLWSAZ-WIYYLYMNSA-N 2 0 336.479 3.274 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CC3CCC3)CC1)C2 ZINC001168251259 1383853290 /nfs/dbraw/zinc/85/32/90/1383853290.db2.gz GPHHTHMMIKGOKH-HXUWFJFHSA-N 2 0 328.500 3.264 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291486 1383864912 /nfs/dbraw/zinc/86/49/12/1383864912.db2.gz YYPRUAYKPLWGBE-FBLDJFESSA-N 2 0 335.536 3.092 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC001168295066 1383865759 /nfs/dbraw/zinc/86/57/59/1383865759.db2.gz SDPGZHMKSLQJCR-UHFFFAOYSA-N 2 0 333.495 3.253 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001168295129 1383866142 /nfs/dbraw/zinc/86/61/42/1383866142.db2.gz VEUUEFXFURXJCS-BHUNQDJPSA-N 2 0 339.524 3.285 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168321117 1383872867 /nfs/dbraw/zinc/87/28/67/1383872867.db2.gz XSNMJCIUNNYJLW-UHFFFAOYSA-N 2 0 347.547 3.239 20 0 EGADRP CC(C)(C)OC(=O)CC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168388738 1383892350 /nfs/dbraw/zinc/89/23/50/1383892350.db2.gz HWGFKDQOFHKXIR-UHFFFAOYSA-N 2 0 336.520 3.305 20 0 EGADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168413830 1383900589 /nfs/dbraw/zinc/90/05/89/1383900589.db2.gz BGGANBDZYNKUDF-SFHVURJKSA-N 2 0 335.511 3.158 20 0 EGADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1ccnc1C(N)=[NH2+] ZINC001168419623 1383901930 /nfs/dbraw/zinc/90/19/30/1383901930.db2.gz IFYLLAKDXUKZTN-UHFFFAOYSA-N 2 0 339.365 3.017 20 0 EGADRP COC1CC[NH+](C2CC[NH+]([C@@H]3CCc4cc(F)ccc4C3)CC2)CC1 ZINC001168446534 1383907531 /nfs/dbraw/zinc/90/75/31/1383907531.db2.gz RFQQDAQCKLYIFM-HXUWFJFHSA-N 2 0 346.490 3.258 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC2(C[NH2+]CC3CC3)CC2)o1 ZINC001168454505 1383910080 /nfs/dbraw/zinc/91/00/80/1383910080.db2.gz KOXJXOCRLZKAKG-UHFFFAOYSA-N 2 0 347.503 3.021 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001168606086 1383946823 /nfs/dbraw/zinc/94/68/23/1383946823.db2.gz BSNCLBPYSOJPKC-CEXWTWQISA-N 2 0 337.552 3.031 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)CCO2)cc1 ZINC001168609289 1383947928 /nfs/dbraw/zinc/94/79/28/1383947928.db2.gz GHOULHZZIYXUAE-FPOVZHCZSA-N 2 0 344.499 3.379 20 0 EGADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307706891 1384017369 /nfs/dbraw/zinc/01/73/69/1384017369.db2.gz NNEMXSNCMZSISO-NEWSRXKRSA-N 2 0 345.531 3.210 20 0 EGADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001307748634 1384025389 /nfs/dbraw/zinc/02/53/89/1384025389.db2.gz HOVYDPBZAHATBR-QGZVFWFLSA-N 2 0 341.540 3.488 20 0 EGADRP CCCCN(C[C@@H](O)C[N@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966346 1384065397 /nfs/dbraw/zinc/06/53/97/1384065397.db2.gz HGNKBAKCYYNDFJ-SFHVURJKSA-N 2 0 341.584 3.099 20 0 EGADRP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001169085523 1384104540 /nfs/dbraw/zinc/10/45/40/1384104540.db2.gz NWZWSJVHHRWIKN-QFIPXVFZSA-N 2 0 343.559 3.357 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC[C@@H]1CCc3ccc4c(c31)CCO4)C2 ZINC001169100461 1384107494 /nfs/dbraw/zinc/10/74/94/1384107494.db2.gz JJKQLMXZYFQZEE-FJIDUMEYSA-N 2 0 326.484 3.256 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001169108162 1384107976 /nfs/dbraw/zinc/10/79/76/1384107976.db2.gz OZDYEIAGLLBDBS-LDLYASANSA-N 2 0 344.499 3.399 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCCC1)C2 ZINC001169108251 1384108387 /nfs/dbraw/zinc/10/83/87/1384108387.db2.gz PSQSTLJUUWTQSB-MUJYYYPQSA-N 2 0 337.508 3.039 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cc(F)ccc3F)CC1)C2 ZINC001169109447 1384108710 /nfs/dbraw/zinc/10/87/10/1384108710.db2.gz IOJWIHJOLHQCHI-LDLYASANSA-N 2 0 349.469 3.144 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3cccc(Cl)c3)CC1)C2 ZINC001169119106 1384109552 /nfs/dbraw/zinc/10/95/52/1384109552.db2.gz QTYDJIDUNHEWHF-REPLKXPHSA-N 2 0 347.934 3.301 20 0 EGADRP COc1ccccc1OCC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169152196 1384115522 /nfs/dbraw/zinc/11/55/22/1384115522.db2.gz AHNQSGGIEBLIFQ-REPLKXPHSA-N 2 0 344.499 3.411 20 0 EGADRP COC(=O)[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)C1 ZINC001169155103 1384116191 /nfs/dbraw/zinc/11/61/91/1384116191.db2.gz YBZJYFMPYQVUQD-SWBPCFCJSA-N 2 0 342.483 3.238 20 0 EGADRP CC[NH+](CC)Cc1cccc(-n2ncc3c2cccc3C[NH3+])c1F ZINC001169195743 1384121654 /nfs/dbraw/zinc/12/16/54/1384121654.db2.gz PILOEZASURIYFJ-UHFFFAOYSA-N 2 0 326.419 3.465 20 0 EGADRP CC[NH+]1CCC([NH2+]CCc2cc(OC)ccc2Br)CC1 ZINC001169220428 1384123843 /nfs/dbraw/zinc/12/38/43/1384123843.db2.gz PVGZELGKHSJWPP-UHFFFAOYSA-N 2 0 341.293 3.074 20 0 EGADRP C[C@H]([NH3+])c1ccn(-c2ccc([C@@H](CC[NH+](C)C)c3ccccn3)cc2)n1 ZINC001169233539 1384125352 /nfs/dbraw/zinc/12/53/52/1384125352.db2.gz RKOAKDLAGMTYMR-QFBILLFUSA-N 2 0 349.482 3.371 20 0 EGADRP CC[NH+]1CCC(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001169232788 1384125397 /nfs/dbraw/zinc/12/53/97/1384125397.db2.gz BJAXHJCUDIKRLL-BBITVKMKSA-N 2 0 347.506 3.047 20 0 EGADRP CC[NH+]1CCC(N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001169240822 1384126273 /nfs/dbraw/zinc/12/62/73/1384126273.db2.gz LLLIPYKJWBSCIO-UHFFFAOYSA-N 2 0 335.923 3.160 20 0 EGADRP C[NH+](C)C1CC[NH+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169291439 1384133174 /nfs/dbraw/zinc/13/31/74/1384133174.db2.gz ZOUYYNPGORAZEL-UHFFFAOYSA-N 2 0 330.472 3.181 20 0 EGADRP CCC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC001308638564 1384138373 /nfs/dbraw/zinc/13/83/73/1384138373.db2.gz GEINOLGWLBNDQJ-OAQYLSRUSA-N 2 0 329.532 3.315 20 0 EGADRP CC(=O)N1CC[C@@H]([N@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527264 1384156434 /nfs/dbraw/zinc/15/64/34/1384156434.db2.gz SZRZHRNMJCYKOH-GUDVDZBRSA-N 2 0 349.906 3.033 20 0 EGADRP C[NH+](C)CCC(C)(C)Nc1cc(Br)cc2c[nH+]cn21 ZINC001169718214 1384177649 /nfs/dbraw/zinc/17/76/49/1384177649.db2.gz UJSCOJWZMSTVDO-UHFFFAOYSA-N 2 0 325.254 3.239 20 0 EGADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169719917 1384178051 /nfs/dbraw/zinc/17/80/51/1384178051.db2.gz DRZRSFHDEQAEOV-HXUWFJFHSA-N 2 0 343.515 3.275 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169721558 1384178465 /nfs/dbraw/zinc/17/84/65/1384178465.db2.gz SGYYDFBQRHDVGQ-IBGZPJMESA-N 2 0 331.504 3.003 20 0 EGADRP COCCN1CCOC[C@@]2(CCC[N@@H+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078468 1384230263 /nfs/dbraw/zinc/23/02/63/1384230263.db2.gz SGMALQQQGRPMDL-UXHICEINSA-N 2 0 340.552 3.262 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001170092457 1384235012 /nfs/dbraw/zinc/23/50/12/1384235012.db2.gz OJRBYSVGRXXUPT-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)C1 ZINC001170145895 1384249052 /nfs/dbraw/zinc/24/90/52/1384249052.db2.gz WUZRDQUUGFMOMR-AZUAARDMSA-N 2 0 343.515 3.185 20 0 EGADRP C[NH+](C)CC[C@H](c1ccc(NCC2C[NH+](C)C2)cc1)c1ccccn1 ZINC001170256109 1384277073 /nfs/dbraw/zinc/27/70/73/1384277073.db2.gz DLSHSGUHZOIKMW-HXUWFJFHSA-N 2 0 338.499 3.139 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001170412371 1384311754 /nfs/dbraw/zinc/31/17/54/1384311754.db2.gz QAEXAVHNPMSAMK-SFHVURJKSA-N 2 0 332.488 3.448 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001170427054 1384315875 /nfs/dbraw/zinc/31/58/75/1384315875.db2.gz VCNGYXTUEQJRBE-KRWDZBQOSA-N 2 0 330.472 3.200 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001170783846 1384384470 /nfs/dbraw/zinc/38/44/70/1384384470.db2.gz ABPODRSITWYIFP-MOPGFXCFSA-N 2 0 339.568 3.419 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170816980 1384390828 /nfs/dbraw/zinc/39/08/28/1384390828.db2.gz JFPXUZPZKMDNIB-WMZOPIPTSA-N 2 0 337.552 3.029 20 0 EGADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1N[C@]([NH3+])(CC)CO ZINC001170865009 1384400872 /nfs/dbraw/zinc/40/08/72/1384400872.db2.gz CHKSOFXPGYEVRF-OAHLLOKOSA-N 2 0 333.398 3.016 20 0 EGADRP Cc1nc2scc(-c3ccccc3)c2c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170896970 1384407309 /nfs/dbraw/zinc/40/73/09/1384407309.db2.gz IOFZTBUEDBSSHR-AWEZNQCLSA-N 2 0 327.457 3.102 20 0 EGADRP Clc1cccc2c1C[C@@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001170918235 1384411130 /nfs/dbraw/zinc/41/11/30/1384411130.db2.gz UYEOYHBJLOHBTM-KRWDZBQOSA-N 2 0 327.859 3.415 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171162582 1384458498 /nfs/dbraw/zinc/45/84/98/1384458498.db2.gz YTNCBNHGPWRRMK-MOPGFXCFSA-N 2 0 345.531 3.020 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001171173436 1384460307 /nfs/dbraw/zinc/46/03/07/1384460307.db2.gz CNYBVDANSILZSO-DLBZAZTESA-N 2 0 325.541 3.029 20 0 EGADRP c1ccc(N2CC[NH2+]CC2)c(CNc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001171284681 1384485709 /nfs/dbraw/zinc/48/57/09/1384485709.db2.gz GGUSHIXBMZBLEO-FQEVSTJZSA-N 2 0 336.483 3.133 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171331254 1384496253 /nfs/dbraw/zinc/49/62/53/1384496253.db2.gz XSUYPOIVSHZSRM-OBNUAKFSSA-N 2 0 337.552 3.482 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367895 1384503895 /nfs/dbraw/zinc/50/38/95/1384503895.db2.gz QAMHLDHMGNRPIB-GNBGVQPESA-N 2 0 325.541 3.194 20 0 EGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171410172 1384514903 /nfs/dbraw/zinc/51/49/03/1384514903.db2.gz TYFQHEBYISAODA-GOSISDBHSA-N 2 0 342.458 3.413 20 0 EGADRP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171413470 1384517272 /nfs/dbraw/zinc/51/72/72/1384517272.db2.gz HCRJWXRMCZSCLC-GOSISDBHSA-N 2 0 339.458 3.114 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1)[NH+](C)C ZINC001171509108 1384545569 /nfs/dbraw/zinc/54/55/69/1384545569.db2.gz MFHSFFPYQRWWOE-SJLPKXTDSA-N 2 0 325.541 3.172 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171513427 1384546875 /nfs/dbraw/zinc/54/68/75/1384546875.db2.gz VNMOCJWHXRCMIZ-MOKVOYLWSA-N 2 0 326.406 3.424 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171547170 1384558867 /nfs/dbraw/zinc/55/88/67/1384558867.db2.gz RWJNHWOWVSXQNB-MJGOQNOKSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)CCCC[NH+](C)C)C1 ZINC001171578761 1384570387 /nfs/dbraw/zinc/57/03/87/1384570387.db2.gz IANGCNNLLGBEPG-MSOLQXFVSA-N 2 0 325.541 3.031 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586262 1384572309 /nfs/dbraw/zinc/57/23/09/1384572309.db2.gz KMROLQQZQMHZTN-IBSYWUHOSA-N 2 0 325.541 3.338 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC1(C)C ZINC001171625359 1384583809 /nfs/dbraw/zinc/58/38/09/1384583809.db2.gz IQHBRYFPVKXOAI-IBGZPJMESA-N 2 0 345.531 3.133 20 0 EGADRP C[NH+]1C(C)(C)CC([N@@H+]2CCCN(Cc3ccncc3)CC2)CC1(C)C ZINC001171628897 1384584978 /nfs/dbraw/zinc/58/49/78/1384584978.db2.gz LSOJNVISFCYEGM-UHFFFAOYSA-N 2 0 344.547 3.241 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCc2cnn(C(C)C)c21 ZINC001329023504 1388934202 /nfs/dbraw/zinc/93/42/02/1388934202.db2.gz JJWZLVQPGPEZAB-KSSFIOAISA-N 2 0 327.476 3.354 20 0 EGADRP COc1cccc(O[C@@H]2CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640794 1384589549 /nfs/dbraw/zinc/58/95/49/1384589549.db2.gz JICXZRPRADOXPJ-MRXNPFEDSA-N 2 0 347.503 3.195 20 0 EGADRP C[NH+]1C(C)(C)CC(N2CC[NH+](Cc3cccc(N)c3)CC2)CC1(C)C ZINC001171640303 1384589925 /nfs/dbraw/zinc/58/99/25/1384589925.db2.gz BPJSOVXWCHVZRK-UHFFFAOYSA-N 2 0 344.547 3.038 20 0 EGADRP C[C@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC001171730417 1384617113 /nfs/dbraw/zinc/61/71/13/1384617113.db2.gz YQMQOYZTDNCEFS-HOCLYGCPSA-N 2 0 326.419 3.189 20 0 EGADRP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171759407 1384627693 /nfs/dbraw/zinc/62/76/93/1384627693.db2.gz JIXOWKZWUNZRLK-HMXCVIKNSA-N 2 0 327.516 3.210 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867143 1384665926 /nfs/dbraw/zinc/66/59/26/1384665926.db2.gz UXKPMLADHSBZQA-FQEVSTJZSA-N 2 0 345.531 3.393 20 0 EGADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171876883 1384668741 /nfs/dbraw/zinc/66/87/41/1384668741.db2.gz CTXCFJYNBSNPRE-VAMGGRTRSA-N 2 0 343.515 3.144 20 0 EGADRP CCC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171923240 1384683592 /nfs/dbraw/zinc/68/35/92/1384683592.db2.gz DXOZDJCILHGXSB-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)OCCO1 ZINC001171971890 1384699736 /nfs/dbraw/zinc/69/97/36/1384699736.db2.gz KZOPHVRFUZSGFX-GOSISDBHSA-N 2 0 332.488 3.172 20 0 EGADRP CCOC(=O)[C@@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974997 1384700401 /nfs/dbraw/zinc/70/04/01/1384700401.db2.gz JNVREIIGYDWREX-FUHWJXTLSA-N 2 0 332.488 3.218 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977912 1384701514 /nfs/dbraw/zinc/70/15/14/1384701514.db2.gz UWUCDDYLCXRHOF-HOJAQTOUSA-N 2 0 329.532 3.359 20 0 EGADRP C[NH+]1CCC2(C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987382 1384706816 /nfs/dbraw/zinc/70/68/16/1384706816.db2.gz ULNUIBILQMCXFF-FQEVSTJZSA-N 3 0 341.543 3.457 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063753 1384714396 /nfs/dbraw/zinc/71/43/96/1384714396.db2.gz CHGIHOOMHZFSOD-SSTJLMRISA-N 2 0 328.500 3.465 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062758 1384714587 /nfs/dbraw/zinc/71/45/87/1384714587.db2.gz RXCWPCMPFTVOFC-MXEMCNAFSA-N 2 0 327.516 3.256 20 0 EGADRP CC(C)[N@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081773 1384722281 /nfs/dbraw/zinc/72/22/81/1384722281.db2.gz YZMKJWYHWLKMSW-FVQHAEBGSA-N 2 0 339.524 3.366 20 0 EGADRP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]CCCC[NH3+])CC1 ZINC001172212613 1384750154 /nfs/dbraw/zinc/75/01/54/1384750154.db2.gz WNPOPYUAWWOKBI-UHFFFAOYSA-N 2 0 338.879 3.022 20 0 EGADRP CCCC[NH+](CCCC)CCCNC1CC[NH+](CCCOC)CC1 ZINC001172244343 1384754961 /nfs/dbraw/zinc/75/49/61/1384754961.db2.gz BRIZCGLAMFQDDG-UHFFFAOYSA-N 2 0 341.584 3.369 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC001172247425 1384755474 /nfs/dbraw/zinc/75/54/74/1384755474.db2.gz NZSLEGRNKJXGKA-SFTDATJTSA-N 2 0 346.515 3.215 20 0 EGADRP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001172320322 1384769363 /nfs/dbraw/zinc/76/93/63/1384769363.db2.gz WYKIZZQSRMAKAJ-MSOLQXFVSA-N 2 0 333.520 3.122 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172562088 1384812304 /nfs/dbraw/zinc/81/23/04/1384812304.db2.gz UFNQZHWJXPHKEA-IVAOSVALSA-N 2 0 327.516 3.033 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172751786 1384843593 /nfs/dbraw/zinc/84/35/93/1384843593.db2.gz LMVPWMFIZIXNKA-QGZVFWFLSA-N 2 0 347.503 3.004 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)[NH+](CC)CC ZINC001317085567 1384848264 /nfs/dbraw/zinc/84/82/64/1384848264.db2.gz AGGYYSYFDKUBPV-IUVQAAGXSA-N 2 0 349.494 3.244 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001317097995 1384860589 /nfs/dbraw/zinc/86/05/89/1384860589.db2.gz IVDIFGILCNJZFN-IHWFROFDSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC001172833353 1384861514 /nfs/dbraw/zinc/86/15/14/1384861514.db2.gz XYFGMKUVEVCLNF-JOCHJYFZSA-N 2 0 342.527 3.333 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001172962546 1384891397 /nfs/dbraw/zinc/89/13/97/1384891397.db2.gz FIPMHNNNPOSQFG-BRWVUGGUSA-N 2 0 341.540 3.340 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172962549 1384891593 /nfs/dbraw/zinc/89/15/93/1384891593.db2.gz FIPMHNNNPOSQFG-GVDBMIGSSA-N 2 0 341.540 3.340 20 0 EGADRP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH3+])CN1C(=O)OC(C)(C)C ZINC001173054030 1384902082 /nfs/dbraw/zinc/90/20/82/1384902082.db2.gz UZAMVIIYZXKNKV-YOEHRIQHSA-N 2 0 333.476 3.023 20 0 EGADRP C[C@H]1CC[C@@H]([NH2+]CCCCCCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173052208 1384902176 /nfs/dbraw/zinc/90/21/76/1384902176.db2.gz DLSCDVCJDLCAHF-JKSUJKDBSA-N 2 0 327.513 3.273 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(OCC3CCC3)ncn2)CC1 ZINC001173106230 1384915453 /nfs/dbraw/zinc/91/54/53/1384915453.db2.gz KDEVNTRYJREYQK-UHFFFAOYSA-N 2 0 346.519 3.398 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001173106740 1384916488 /nfs/dbraw/zinc/91/64/88/1384916488.db2.gz CIIHGXJJSLTBAT-GTPINHCMSA-N 2 0 341.540 3.390 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)CC1 ZINC001173112567 1384917000 /nfs/dbraw/zinc/91/70/00/1384917000.db2.gz AHYKBILNDOOMQJ-ACBHZAAOSA-N 2 0 331.504 3.496 20 0 EGADRP CC[NH+](CC)C1CCC(n2nc(C[NH3+])c3cc(OC)ccc32)CC1 ZINC001173110604 1384917192 /nfs/dbraw/zinc/91/71/92/1384917192.db2.gz POIHVHPFJIPKPQ-UHFFFAOYSA-N 2 0 330.476 3.329 20 0 EGADRP CCc1noc([C@H]2CCC[N@@H+](C3CCC([NH+](CC)CC)CC3)C2)n1 ZINC001173113350 1384917527 /nfs/dbraw/zinc/91/75/27/1384917527.db2.gz NNAZEDSXVVEBRG-GTPINHCMSA-N 2 0 334.508 3.464 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCN(CCc3ccccc3)CC2)CC1 ZINC001173112711 1384917811 /nfs/dbraw/zinc/91/78/11/1384917811.db2.gz ZXMLLQPIODHBLA-UHFFFAOYSA-N 2 0 343.559 3.500 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)CO2 ZINC001173153871 1384925580 /nfs/dbraw/zinc/92/55/80/1384925580.db2.gz RCMIHZAYTURCSR-MDOVXXIYSA-N 2 0 332.488 3.132 20 0 EGADRP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC001173269779 1384947859 /nfs/dbraw/zinc/94/78/59/1384947859.db2.gz XTORMEUTZNNEOR-WJMWBRGCSA-N 2 0 333.564 3.494 20 0 EGADRP CC[C@@H]1CC[C@@H]([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001173281356 1384950986 /nfs/dbraw/zinc/95/09/86/1384950986.db2.gz XXVZOLOGNRWYLX-QZTJIDSGSA-N 2 0 330.520 3.306 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC3(CC[C@@H]3[NH+](C)Cc3ccco3)CC2)C1 ZINC001173364964 1384964189 /nfs/dbraw/zinc/96/41/89/1384964189.db2.gz WBAZZDXVFNHDKL-HKUYNNGSSA-N 2 0 331.504 3.050 20 0 EGADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)NC(=[NH2+])NCCCC[NH3+] ZINC001173539937 1384980970 /nfs/dbraw/zinc/98/09/70/1384980970.db2.gz UWLFFKCMEWFLKG-LLVKDONJSA-N 2 0 331.291 3.167 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001173634081 1384992725 /nfs/dbraw/zinc/99/27/25/1384992725.db2.gz OBCBTEGNRCWLCX-YJBOKZPZSA-N 2 0 348.462 3.197 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001173647343 1384995360 /nfs/dbraw/zinc/99/53/60/1384995360.db2.gz BIOQBGCYZGTCSU-QRQLOZEOSA-N 2 0 332.488 3.205 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001173658602 1384998134 /nfs/dbraw/zinc/99/81/34/1384998134.db2.gz RATSEGCDADJLDP-CRAIPNDOSA-N 2 0 340.483 3.007 20 0 EGADRP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173658563 1384998323 /nfs/dbraw/zinc/99/83/23/1384998323.db2.gz QSSADFRCGHPCSZ-XWSJACJDSA-N 2 0 336.520 3.447 20 0 EGADRP FC(F)(F)CN1CCC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001173663435 1384999122 /nfs/dbraw/zinc/99/91/22/1384999122.db2.gz FGPJPLWHIUYUQS-UHFFFAOYSA-N 2 0 347.469 3.115 20 0 EGADRP CCC(CC)[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173664180 1384999223 /nfs/dbraw/zinc/99/92/23/1384999223.db2.gz SBKLXXBGXJQLHP-UHFFFAOYSA-N 2 0 335.458 3.256 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1Cl ZINC001317258349 1385028741 /nfs/dbraw/zinc/02/87/41/1385028741.db2.gz JBKQYVGSILUATP-LSDHHAIUSA-N 2 0 349.906 3.124 20 0 EGADRP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650193 1385130411 /nfs/dbraw/zinc/13/04/11/1385130411.db2.gz OTAJIPKDERTEMC-IPLHWJFFSA-N 2 0 337.552 3.482 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650192 1385130449 /nfs/dbraw/zinc/13/04/49/1385130449.db2.gz OTAJIPKDERTEMC-HPFMTEOYSA-N 2 0 337.552 3.482 20 0 EGADRP Cc1cc(C)cc(C[N@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001317469589 1385163803 /nfs/dbraw/zinc/16/38/03/1385163803.db2.gz HINOBKPXPSOLFO-UHFFFAOYSA-N 2 0 345.531 3.118 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)c1occc1C[NH+](C)C ZINC001174930698 1385171225 /nfs/dbraw/zinc/17/12/25/1385171225.db2.gz XUAMDRDABSRDFC-HNNXBMFYSA-N 2 0 335.492 3.020 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174947735 1385173245 /nfs/dbraw/zinc/17/32/45/1385173245.db2.gz DHQATQYQBDWLDM-MSOLQXFVSA-N 2 0 339.568 3.275 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)c(C)c1 ZINC001175049286 1385186427 /nfs/dbraw/zinc/18/64/27/1385186427.db2.gz SILYHUBENQFTCK-SFHVURJKSA-N 2 0 333.520 3.020 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001175105590 1385195679 /nfs/dbraw/zinc/19/56/79/1385195679.db2.gz BDVMZALPJCYOSD-PKOBYXMFSA-N 2 0 337.552 3.338 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C)[NH+](CC)CC ZINC001175217028 1385222862 /nfs/dbraw/zinc/22/28/62/1385222862.db2.gz DPDXFYZQCGTDBY-MSOLQXFVSA-N 2 0 325.541 3.338 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1)[NH+](CC)CC ZINC001175217440 1385223236 /nfs/dbraw/zinc/22/32/36/1385223236.db2.gz GSPPZSFUAAUURB-WMZOPIPTSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C/c1ccccc1)[NH+](C)C ZINC001317513022 1385226500 /nfs/dbraw/zinc/22/65/00/1385226500.db2.gz RCZOBWXRZVMODE-VXDDHJSKSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257263 1385231932 /nfs/dbraw/zinc/23/19/32/1385231932.db2.gz XYNQJSOOWAODHS-MSOLQXFVSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264282 1385234242 /nfs/dbraw/zinc/23/42/42/1385234242.db2.gz RXDZRQNGJLXYHZ-MSOLQXFVSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265483 1385235480 /nfs/dbraw/zinc/23/54/80/1385235480.db2.gz YGGXWBOLNPPEFK-QGZVFWFLSA-N 2 0 345.531 3.079 20 0 EGADRP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001175305942 1385246295 /nfs/dbraw/zinc/24/62/95/1385246295.db2.gz RQRKOGOBAPDLMP-PXNSSMCTSA-N 2 0 347.547 3.354 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175316564 1385249985 /nfs/dbraw/zinc/24/99/85/1385249985.db2.gz KBOMKIIWYWASEZ-XLIONFOSSA-N 2 0 347.547 3.354 20 0 EGADRP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175318321 1385251943 /nfs/dbraw/zinc/25/19/43/1385251943.db2.gz YJPJYDWLQVNFDI-VCVRMXLYSA-N 2 0 325.541 3.338 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1c(C)cccc1C ZINC001317543372 1385285063 /nfs/dbraw/zinc/28/50/63/1385285063.db2.gz VCJDNGYENJZTAV-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H](C(=O)NCC[N@H+](CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001317558139 1385329819 /nfs/dbraw/zinc/32/98/19/1385329819.db2.gz GERDNKBEFWLESO-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175566697 1385334144 /nfs/dbraw/zinc/33/41/44/1385334144.db2.gz YGGIFPUGWNEDOQ-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)C(C)C ZINC001175745730 1385394001 /nfs/dbraw/zinc/39/40/01/1385394001.db2.gz FHFVDPKGQAVGPU-VNAXKEFJSA-N 2 0 345.959 3.370 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001175768171 1385399365 /nfs/dbraw/zinc/39/93/65/1385399365.db2.gz LVZQYUGHHNZCCU-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175768758 1385399671 /nfs/dbraw/zinc/39/96/71/1385399671.db2.gz NITASHWGJQUMGK-HJCTWCACSA-N 2 0 325.541 3.339 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001175786565 1385405593 /nfs/dbraw/zinc/40/55/93/1385405593.db2.gz MATORUUGRLWAGU-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001175905915 1385434741 /nfs/dbraw/zinc/43/47/41/1385434741.db2.gz FIXYCJAPDWCYCS-UXHICEINSA-N 2 0 333.495 3.379 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC ZINC001176112653 1385487783 /nfs/dbraw/zinc/48/77/83/1385487783.db2.gz XPZOZEKVNPVCHQ-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)c1ccccc1 ZINC001176120243 1385489283 /nfs/dbraw/zinc/48/92/83/1385489283.db2.gz LTTHSPWSZGCEQR-HKUYNNGSSA-N 2 0 333.520 3.352 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185226 1385506073 /nfs/dbraw/zinc/50/60/73/1385506073.db2.gz UTGUFURACFIBAY-GOSISDBHSA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231228 1385521469 /nfs/dbraw/zinc/52/14/69/1385521469.db2.gz QRNHEHUXEJKJDI-MJRGOJFPSA-N 2 0 325.541 3.339 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176286747 1385539623 /nfs/dbraw/zinc/53/96/23/1385539623.db2.gz XKJJGHWUOGXOHF-LJQANCHMSA-N 2 0 347.547 3.410 20 0 EGADRP CCC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001317876355 1385555956 /nfs/dbraw/zinc/55/59/56/1385555956.db2.gz GYOBYESVOGCQQW-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[NH+](C)CCCOc1ccc(Nc2c[nH+]ccc2N2CCCC2)cn1 ZINC001176351950 1385560442 /nfs/dbraw/zinc/56/04/42/1385560442.db2.gz FOAAIHSZNWUQRS-UHFFFAOYSA-N 2 0 341.459 3.151 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001176563137 1385625804 /nfs/dbraw/zinc/62/58/04/1385625804.db2.gz BCTBPOLDHQMLFD-ICSRJNTNSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564196 1385626253 /nfs/dbraw/zinc/62/62/53/1385626253.db2.gz MVQVHHZYIWRBJW-MJGOQNOKSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001176564856 1385626405 /nfs/dbraw/zinc/62/64/05/1385626405.db2.gz SAGWSCMUKYGUAP-OALUTQOASA-N 2 0 345.531 3.020 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001318373335 1385658484 /nfs/dbraw/zinc/65/84/84/1385658484.db2.gz DAPBTGNAMLVUHF-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176738230 1385677200 /nfs/dbraw/zinc/67/72/00/1385677200.db2.gz PTWYRLVJQFMHKY-MSOLQXFVSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001698612224 1406242277 /nfs/dbraw/zinc/24/22/77/1406242277.db2.gz HTSUYARINGGOOT-MOPGFXCFSA-N 2 0 347.547 3.309 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176759291 1385685809 /nfs/dbraw/zinc/68/58/09/1385685809.db2.gz IERUERJNLIRRBN-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176759914 1385687109 /nfs/dbraw/zinc/68/71/09/1385687109.db2.gz ODVGNXNLPYUHRF-IBGZPJMESA-N 2 0 347.547 3.224 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176884948 1385732180 /nfs/dbraw/zinc/73/21/80/1385732180.db2.gz WVWDOTABELCJGN-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001176890364 1385734030 /nfs/dbraw/zinc/73/40/30/1385734030.db2.gz RJQWBHRHJQTMKH-QGZVFWFLSA-N 2 0 339.483 3.219 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176934332 1385747645 /nfs/dbraw/zinc/74/76/45/1385747645.db2.gz YWADMTRSPFTFJX-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001176998577 1385769447 /nfs/dbraw/zinc/76/94/47/1385769447.db2.gz CBYNRWJDYNWJFJ-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177331853 1385917288 /nfs/dbraw/zinc/91/72/88/1385917288.db2.gz MRIJIEPAZVQTJE-GOSISDBHSA-N 2 0 325.541 3.031 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177342001 1385921451 /nfs/dbraw/zinc/92/14/51/1385921451.db2.gz GWZTWYMVKXNWIN-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1)[NH+](C)C ZINC001177348212 1385922944 /nfs/dbraw/zinc/92/29/44/1385922944.db2.gz CRVLPQIIZPXMCF-LJQANCHMSA-N 2 0 339.568 3.371 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001177416225 1385949278 /nfs/dbraw/zinc/94/92/78/1385949278.db2.gz WPUUUPCFBNHHQM-AZUAARDMSA-N 2 0 349.563 3.149 20 0 EGADRP CCC[N@H+](C)CC(=O)N(CCC[NH2+]C[C@@H](F)CC)CC1CCCC1 ZINC001177466674 1385966792 /nfs/dbraw/zinc/96/67/92/1385966792.db2.gz BCDIJPIMDSCIAL-SFHVURJKSA-N 2 0 343.531 3.075 20 0 EGADRP COc1ccc2c(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c2c1 ZINC001319199056 1386003296 /nfs/dbraw/zinc/00/32/96/1386003296.db2.gz NOPCCADOPKSFTG-ICSRJNTNSA-N 2 0 341.455 3.299 20 0 EGADRP CCCCn1nc(C)c(C[NH2+]CC2CC[NH+](CC)CC2)c1Cl ZINC001177737591 1386030815 /nfs/dbraw/zinc/03/08/15/1386030815.db2.gz SSBFCTSJFJELNP-UHFFFAOYSA-N 2 0 326.916 3.467 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1)c1ccccc1 ZINC001319372188 1386086416 /nfs/dbraw/zinc/08/64/16/1386086416.db2.gz GOROOHGWNLISQG-QGZVFWFLSA-N 2 0 343.515 3.108 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCCC2)c1 ZINC001698628449 1406270954 /nfs/dbraw/zinc/27/09/54/1406270954.db2.gz ULLYVCQCXPHXGK-HKUYNNGSSA-N 2 0 343.515 3.169 20 0 EGADRP Cc1cc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001319473230 1386137157 /nfs/dbraw/zinc/13/71/57/1386137157.db2.gz PQJZJGSEMQHKCX-SFHVURJKSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC001178170834 1386148502 /nfs/dbraw/zinc/14/85/02/1386148502.db2.gz NFRJOZBHIZYXGL-UXHICEINSA-N 2 0 330.516 3.452 20 0 EGADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001319535163 1386165275 /nfs/dbraw/zinc/16/52/75/1386165275.db2.gz VSBVNRYJQRBTJQ-LPHOPBHVSA-N 2 0 347.547 3.261 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001319559480 1386178009 /nfs/dbraw/zinc/17/80/09/1386178009.db2.gz SBSBPMFZTPMMGM-IAGOWNOFSA-N 2 0 345.531 3.015 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178484614 1386231689 /nfs/dbraw/zinc/23/16/89/1386231689.db2.gz WWRDBEYZBZQJSR-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502297 1386236794 /nfs/dbraw/zinc/23/67/94/1386236794.db2.gz KGOHUMDDYKXHIW-SGSXCFNPSA-N 2 0 349.563 3.341 20 0 EGADRP CC(C)[NH2+]CCCCCCNC(=O)c1sccc1C[NH+](C)C ZINC001178618138 1386263472 /nfs/dbraw/zinc/26/34/72/1386263472.db2.gz SQMUYLRPAFXNRX-UHFFFAOYSA-N 2 0 325.522 3.098 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178634269 1386264993 /nfs/dbraw/zinc/26/49/93/1386264993.db2.gz QYFPVLAFDNQXTN-GOSISDBHSA-N 2 0 325.541 3.317 20 0 EGADRP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707653 1386285278 /nfs/dbraw/zinc/28/52/78/1386285278.db2.gz LIXRDSHPMHVTBF-NSHGMRRFSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810546 1386314421 /nfs/dbraw/zinc/31/44/21/1386314421.db2.gz FROGRAGJUPTKLF-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178832695 1386321343 /nfs/dbraw/zinc/32/13/43/1386321343.db2.gz HTNSCTBGSGFJBK-GOSISDBHSA-N 2 0 325.541 3.173 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001179032124 1386383717 /nfs/dbraw/zinc/38/37/17/1386383717.db2.gz HCBKJYGYEKNYEP-KXBFYZLASA-N 2 0 342.487 3.272 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001179234082 1386428339 /nfs/dbraw/zinc/42/83/39/1386428339.db2.gz HULWCYMLAORUQY-LPHOPBHVSA-N 2 0 335.536 3.020 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ncccc3C)CC2)cc1 ZINC001319992656 1386441414 /nfs/dbraw/zinc/44/14/14/1386441414.db2.gz YAJYPAPKPAHVKL-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC001179338146 1386455624 /nfs/dbraw/zinc/45/56/24/1386455624.db2.gz DDLCLRGPEXXCOW-LPHOPBHVSA-N 2 0 334.467 3.421 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C[C@H](F)CC)C1 ZINC001179357755 1386462055 /nfs/dbraw/zinc/46/20/55/1386462055.db2.gz KUYATKHGLTWLJI-QZTJIDSGSA-N 2 0 343.531 3.123 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+][C@H]1CCc2c1cccc2F ZINC001179463360 1386487772 /nfs/dbraw/zinc/48/77/72/1386487772.db2.gz FQNREXWULGTLNI-IBGZPJMESA-N 2 0 349.494 3.031 20 0 EGADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)CC1 ZINC001179461629 1386487797 /nfs/dbraw/zinc/48/77/97/1386487797.db2.gz TYEIIXBCNXXICC-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP Cc1cc(C[NH2+]CCCCCCNC(=O)CC[NH+](C)C)c(C)s1 ZINC001179464411 1386488644 /nfs/dbraw/zinc/48/86/44/1386488644.db2.gz UUGGXDNLSFTXKS-UHFFFAOYSA-N 2 0 339.549 3.083 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)CC[NH+](C)C)c(C)c1 ZINC001179464580 1386488670 /nfs/dbraw/zinc/48/86/70/1386488670.db2.gz YRZSFVHUPBVISL-UHFFFAOYSA-N 2 0 333.520 3.021 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001179482856 1386494842 /nfs/dbraw/zinc/49/48/42/1386494842.db2.gz YPGAPIJUUIJNEZ-UWVAXJGDSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001179557178 1386513595 /nfs/dbraw/zinc/51/35/95/1386513595.db2.gz CDOPKJXVMDWPPU-CVEARBPZSA-N 2 0 334.508 3.142 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179585412 1386523095 /nfs/dbraw/zinc/52/30/95/1386523095.db2.gz GZCSUOBBLRKKQB-QUCCMNQESA-N 2 0 349.563 3.341 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592800 1386526464 /nfs/dbraw/zinc/52/64/64/1386526464.db2.gz OMCDHRKOOAQWNY-UHFFFAOYSA-N 2 0 327.557 3.421 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CCC1CC1)CC(C)(C)C ZINC001179592525 1386526609 /nfs/dbraw/zinc/52/66/09/1386526609.db2.gz FTFJSLWMMZXNCG-UHFFFAOYSA-N 2 0 325.541 3.031 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001179592621 1386526650 /nfs/dbraw/zinc/52/66/50/1386526650.db2.gz KFXHVMGPZFLRSH-UHFFFAOYSA-N 2 0 349.563 3.485 20 0 EGADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001179651040 1386540112 /nfs/dbraw/zinc/54/01/12/1386540112.db2.gz DJJUUTWPKMSXDZ-BJLQDIEVSA-N 2 0 349.563 3.410 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652055 1386540776 /nfs/dbraw/zinc/54/07/76/1386540776.db2.gz MFUSPWGSESQEFO-CXLTZZKYSA-N 2 0 335.536 3.186 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001179779218 1386581871 /nfs/dbraw/zinc/58/18/71/1386581871.db2.gz FQNDUGLHHDGMSA-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788043 1386585866 /nfs/dbraw/zinc/58/58/66/1386585866.db2.gz KQKATWXMUAPMMS-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001179826019 1386598277 /nfs/dbraw/zinc/59/82/77/1386598277.db2.gz QUPMAAKMYPQLHW-LPHOPBHVSA-N 2 0 337.552 3.122 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCCCCC[NH2+]CC(C)C)C(C)C ZINC001179842996 1386604129 /nfs/dbraw/zinc/60/41/29/1386604129.db2.gz LIVDOLHNBMTQKP-SFHVURJKSA-N 2 0 327.557 3.275 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320510259 1386632965 /nfs/dbraw/zinc/63/29/65/1386632965.db2.gz UKRWKGWKZZHPTD-FQEVSTJZSA-N 2 0 345.531 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC001179978650 1386656419 /nfs/dbraw/zinc/65/64/19/1386656419.db2.gz GVOVGYBMXUDKJT-HKUYNNGSSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)NCCCCCC[NH2+]C(C)C)c1ccccc1 ZINC001180039714 1386676879 /nfs/dbraw/zinc/67/68/79/1386676879.db2.gz IIEUPBKRVMWDPW-IBGZPJMESA-N 2 0 333.520 3.354 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCCC2CCC2)C1 ZINC001180060555 1386683972 /nfs/dbraw/zinc/68/39/72/1386683972.db2.gz HHCFHFKVVWYBND-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C1 ZINC001180065411 1386685513 /nfs/dbraw/zinc/68/55/13/1386685513.db2.gz QNCKEJHALCVWMF-BEBBCNLGSA-N 2 0 343.943 3.126 20 0 EGADRP C[C@H]1CCCC[C@]1(C[NH2+]CC1CCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001698661177 1406312190 /nfs/dbraw/zinc/31/21/90/1406312190.db2.gz IHNSZUAKKZVLSB-LAUBAEHRSA-N 2 0 349.563 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cccc(CC)c1 ZINC001180123656 1386703928 /nfs/dbraw/zinc/70/39/28/1386703928.db2.gz JLRMWKFFMRIDOQ-UHFFFAOYSA-N 2 0 347.547 3.357 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001180204125 1386732113 /nfs/dbraw/zinc/73/21/13/1386732113.db2.gz HXPMFKATGQBOHV-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001180226608 1386738429 /nfs/dbraw/zinc/73/84/29/1386738429.db2.gz CRNGIOGKVZRLFE-WMZOPIPTSA-N 2 0 337.552 3.122 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272500 1386751542 /nfs/dbraw/zinc/75/15/42/1386751542.db2.gz GRXFUDNTTGOYNY-OJBOGMDESA-N 2 0 335.536 3.188 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180360910 1386773960 /nfs/dbraw/zinc/77/39/60/1386773960.db2.gz PSBXNFRHKCSEMS-UHFFFAOYSA-N 2 0 345.531 3.329 20 0 EGADRP CCc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369758 1386776514 /nfs/dbraw/zinc/77/65/14/1386776514.db2.gz WARFQWRSOWWIAH-UHFFFAOYSA-N 2 0 347.547 3.355 20 0 EGADRP CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001180373134 1386777501 /nfs/dbraw/zinc/77/75/01/1386777501.db2.gz XPIIYTPIGUKEGL-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180373043 1386777677 /nfs/dbraw/zinc/77/76/77/1386777677.db2.gz OTMQAFHWJVQBBG-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180372584 1386777995 /nfs/dbraw/zinc/77/79/95/1386777995.db2.gz DAAQTXQHRNOOTK-RBUKOAKNSA-N 2 0 339.568 3.419 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]CC3(C[NH+](C)C)CCCC3)cc2)cn1 ZINC001321202733 1386839901 /nfs/dbraw/zinc/83/99/01/1386839901.db2.gz PZCWSPDIMRHPEO-UHFFFAOYSA-N 2 0 326.488 3.299 20 0 EGADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001180809597 1386877697 /nfs/dbraw/zinc/87/76/97/1386877697.db2.gz GQSOJODMJUFZOP-BZUAXINKSA-N 2 0 346.462 3.208 20 0 EGADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C(C1CCCCC1)C1CCCCC1 ZINC001180983710 1386912839 /nfs/dbraw/zinc/91/28/39/1386912839.db2.gz PCRVTICNMNAONQ-UHFFFAOYSA-N 2 0 336.524 3.224 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181727898 1387046787 /nfs/dbraw/zinc/04/67/87/1387046787.db2.gz FLLAXNYOXGTZMP-SVFBPWRDSA-N 2 0 349.563 3.290 20 0 EGADRP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181728248 1387046894 /nfs/dbraw/zinc/04/68/94/1387046894.db2.gz ITFCYYJWAQNQFU-YFVAEKQCSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001181941735 1387080066 /nfs/dbraw/zinc/08/00/66/1387080066.db2.gz NHRWTUSVQUDSKN-DYESRHJHSA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)Nc1cccnc1C[NH3+])c1ccccc1 ZINC001182235740 1387129369 /nfs/dbraw/zinc/12/93/69/1387129369.db2.gz JIBITLDDKMRRML-IBGZPJMESA-N 2 0 340.471 3.342 20 0 EGADRP CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001322308734 1387153681 /nfs/dbraw/zinc/15/36/81/1387153681.db2.gz ZGBUSZZKVHDCIA-SFHVURJKSA-N 2 0 345.531 3.062 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182410230 1387162051 /nfs/dbraw/zinc/16/20/51/1387162051.db2.gz IEOMHTQTCUNHDN-WDJFIJIBSA-N 2 0 337.552 3.149 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182591212 1387193230 /nfs/dbraw/zinc/19/32/30/1387193230.db2.gz WDSHELDHSSSBAD-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001182973246 1387252071 /nfs/dbraw/zinc/25/20/71/1387252071.db2.gz CSUROIHVCPATTC-OAHLLOKOSA-N 2 0 337.533 3.050 20 0 EGADRP Cc1cc2ncn(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c2cc1C ZINC001336078833 1389008604 /nfs/dbraw/zinc/00/86/04/1389008604.db2.gz PLEVCWIOGLHJLZ-BZSNNMDCSA-N 2 0 326.488 3.273 20 0 EGADRP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001329490738 1389131148 /nfs/dbraw/zinc/13/11/48/1389131148.db2.gz NYCNMSDUAVEORY-GOSISDBHSA-N 2 0 343.515 3.404 20 0 EGADRP Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(C2CC2)n1 ZINC001336706982 1389141352 /nfs/dbraw/zinc/14/13/52/1389141352.db2.gz CAALSSQGBWNPKI-UHFFFAOYSA-N 2 0 338.499 3.299 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001329600746 1389177038 /nfs/dbraw/zinc/17/70/38/1389177038.db2.gz OMUPHKHEVMWSAI-OXQOHEQNSA-N 2 0 345.531 3.087 20 0 EGADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001337139152 1389262304 /nfs/dbraw/zinc/26/23/04/1389262304.db2.gz JOXVZDQQRPAQPK-HNNXBMFYSA-N 2 0 343.393 3.223 20 0 EGADRP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC001337140671 1389262606 /nfs/dbraw/zinc/26/26/06/1389262606.db2.gz QNSYECZNQXAAMB-LBPRGKRZSA-N 2 0 343.393 3.095 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001330499982 1389432121 /nfs/dbraw/zinc/43/21/21/1389432121.db2.gz PNGLRRNYELYIEJ-RTBURBONSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](C(C)(C)C)CC3)c2)C1 ZINC001338165430 1389570336 /nfs/dbraw/zinc/57/03/36/1389570336.db2.gz GMBJSOUULFDGTQ-LJQANCHMSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001331560439 1389799417 /nfs/dbraw/zinc/79/94/17/1389799417.db2.gz LCRCKPKUPHTTTG-SFHVURJKSA-N 2 0 347.547 3.218 20 0 EGADRP c1ccc(OCCCCC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001331565866 1389803780 /nfs/dbraw/zinc/80/37/80/1389803780.db2.gz PTVNBRJAGDYQEV-UHFFFAOYSA-N 2 0 346.515 3.469 20 0 EGADRP C[C@@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001331916149 1389909484 /nfs/dbraw/zinc/90/94/84/1389909484.db2.gz DCWGCMKWDOCKMG-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H](n2cncn2)C1 ZINC001339191675 1389936312 /nfs/dbraw/zinc/93/63/12/1389936312.db2.gz CHMBKTYKLMFBPM-XGGXVBFMSA-N 2 0 345.535 3.395 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001332199534 1390036409 /nfs/dbraw/zinc/03/64/09/1390036409.db2.gz QDOPQOJKQTVNFU-HKUYNNGSSA-N 2 0 337.552 3.266 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C)c(C)c1 ZINC001332838073 1390197604 /nfs/dbraw/zinc/19/76/04/1390197604.db2.gz OKCKDMDMTBOIMU-RTBURBONSA-N 2 0 345.531 3.018 20 0 EGADRP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001333299008 1390279062 /nfs/dbraw/zinc/27/90/62/1390279062.db2.gz LYYVBKSBEINKFH-AWEZNQCLSA-N 2 0 331.382 3.079 20 0 EGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC001340515462 1390303847 /nfs/dbraw/zinc/30/38/47/1390303847.db2.gz OEBNVCVFJFZJLI-GJZGRUSLSA-N 2 0 329.488 3.299 20 0 EGADRP COc1ccc2[nH+]ccc(N3CCC(OCCC[NH+](C)C)CC3)c2c1 ZINC001333668734 1390369567 /nfs/dbraw/zinc/36/95/67/1390369567.db2.gz QLMZOYIFHJLFBX-UHFFFAOYSA-N 2 0 343.471 3.181 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC001333841090 1390420377 /nfs/dbraw/zinc/42/03/77/1390420377.db2.gz KGFFVTWZNKHWBO-YOUFYPILSA-N 2 0 327.516 3.175 20 0 EGADRP CC(C)(C)[NH+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001341554995 1390501902 /nfs/dbraw/zinc/50/19/02/1390501902.db2.gz XFQDLKYVNXYCNX-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](n2cncn2)C1 ZINC001334425990 1390536411 /nfs/dbraw/zinc/53/64/11/1390536411.db2.gz RXLPGIJQBZIIIH-BXBVOISASA-N 2 0 331.508 3.004 20 0 EGADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001335346611 1390674547 /nfs/dbraw/zinc/67/45/47/1390674547.db2.gz ZFTXENFLCREXQF-DYESRHJHSA-N 2 0 330.516 3.395 20 0 EGADRP CC[C@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccncc1 ZINC001344428685 1390790774 /nfs/dbraw/zinc/79/07/74/1390790774.db2.gz ALNKMDUDWIOZIP-NRFANRHFSA-N 2 0 338.499 3.070 20 0 EGADRP CCc1ccc(C[NH2+]C2(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC2)cc1 ZINC001698806077 1406487262 /nfs/dbraw/zinc/48/72/62/1406487262.db2.gz JDNOSQVINIKREG-LJQANCHMSA-N 2 0 345.531 3.108 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC(c2cncn2C)CC1 ZINC001348852731 1391275495 /nfs/dbraw/zinc/27/54/95/1391275495.db2.gz DTMQXEHKVUGWFD-UHFFFAOYSA-N 2 0 334.508 3.028 20 0 EGADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001349796731 1391368319 /nfs/dbraw/zinc/36/83/19/1391368319.db2.gz OOQFOLUKUIJMBQ-UHFFFAOYSA-N 2 0 337.427 3.312 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001479673673 1392313882 /nfs/dbraw/zinc/31/38/82/1392313882.db2.gz SRXAJWDCVLMWBR-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480081214 1392570602 /nfs/dbraw/zinc/57/06/02/1392570602.db2.gz LBHCHYXHUSXBCM-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001480142141 1392599547 /nfs/dbraw/zinc/59/95/47/1392599547.db2.gz LWYLKGLEPMHXPJ-RBSFLKMASA-N 2 0 349.906 3.122 20 0 EGADRP C[N@H+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1)C1CCC1 ZINC001480179411 1392611500 /nfs/dbraw/zinc/61/15/00/1392611500.db2.gz HYUIYIZLTUDQRJ-CTXDPNEZSA-N 2 0 347.547 3.163 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001480265956 1392650020 /nfs/dbraw/zinc/65/00/20/1392650020.db2.gz TUTBQUNNFBGRCR-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001481339411 1393167447 /nfs/dbraw/zinc/16/74/47/1393167447.db2.gz KNPZWBGXUGYKSF-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001698882687 1406613602 /nfs/dbraw/zinc/61/36/02/1406613602.db2.gz HFJOLECEKPMXJH-SFHVURJKSA-N 2 0 339.568 3.275 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001490456694 1394234232 /nfs/dbraw/zinc/23/42/32/1394234232.db2.gz RFCWMRWHAJRROM-FQEVSTJZSA-N 2 0 345.531 3.116 20 0 EGADRP C[N@H+](CCC1CCCC1)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001698952964 1406695972 /nfs/dbraw/zinc/69/59/72/1406695972.db2.gz IRJPPHJRDUQAQT-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481539358 1394401445 /nfs/dbraw/zinc/40/14/45/1394401445.db2.gz CTTMVLVYCLEVAD-QUCCMNQESA-N 2 0 343.515 3.204 20 0 EGADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001491109954 1394431439 /nfs/dbraw/zinc/43/14/39/1394431439.db2.gz OJOJHALLMAWMQH-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001491170379 1394457050 /nfs/dbraw/zinc/45/70/50/1394457050.db2.gz NOGXLKZCUUYYAX-DLBZAZTESA-N 2 0 349.494 3.057 20 0 EGADRP CCc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001491230864 1394485951 /nfs/dbraw/zinc/48/59/51/1394485951.db2.gz QMNQBSOFLHBRKO-VQTJNVASSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001482025760 1394684278 /nfs/dbraw/zinc/68/42/78/1394684278.db2.gz BAZURGPAJALSNK-NSISKUIASA-N 2 0 349.563 3.172 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482283270 1394865157 /nfs/dbraw/zinc/86/51/57/1394865157.db2.gz DQGHVVGBPSTPKE-ZWKOTPCHSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2CC)CC1 ZINC001483974707 1395170522 /nfs/dbraw/zinc/17/05/22/1395170522.db2.gz ONDLXHIPSMYYBL-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP C[N@H+](CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001484106439 1395254427 /nfs/dbraw/zinc/25/44/27/1395254427.db2.gz HEPDGBCORGRVBD-NRFANRHFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)(C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001484136581 1395273024 /nfs/dbraw/zinc/27/30/24/1395273024.db2.gz MGNOFDKRXBTYIC-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)CCC1CCCC1 ZINC001484769161 1395526278 /nfs/dbraw/zinc/52/62/78/1395526278.db2.gz OYNZPAGRNCYJRD-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001484886503 1395585263 /nfs/dbraw/zinc/58/52/63/1395585263.db2.gz DLEGRPHBLDZNFR-FUHWJXTLSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001484995067 1395639541 /nfs/dbraw/zinc/63/95/41/1395639541.db2.gz FUZJGIUTNSINKT-ZWKOTPCHSA-N 2 0 343.515 3.169 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1 ZINC001698989034 1406775819 /nfs/dbraw/zinc/77/58/19/1406775819.db2.gz GRKJUPBHAWRBMX-MJGOQNOKSA-N 2 0 331.504 3.012 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001698991764 1406783096 /nfs/dbraw/zinc/78/30/96/1406783096.db2.gz ZZDXNUBONJMKJK-GOSISDBHSA-N 2 0 339.568 3.323 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001485387076 1395874853 /nfs/dbraw/zinc/87/48/53/1395874853.db2.gz CPRJXJXNFKVRID-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[NH2+][C@H](CCN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001485441515 1395909204 /nfs/dbraw/zinc/90/92/04/1395909204.db2.gz OIEIXPHNKNIMDI-LJQANCHMSA-N 2 0 333.520 3.233 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccc(F)cc1 ZINC001485485484 1395971444 /nfs/dbraw/zinc/97/14/44/1395971444.db2.gz QWDCNOACWKNRCY-IBGZPJMESA-N 2 0 349.494 3.028 20 0 EGADRP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1F ZINC001485930696 1396170260 /nfs/dbraw/zinc/17/02/60/1396170260.db2.gz WNINPUIBMJAZRR-HOTGVXAUSA-N 2 0 349.494 3.055 20 0 EGADRP C[C@H](CN(C)C(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCC1CCCC1 ZINC001485960712 1396173973 /nfs/dbraw/zinc/17/39/73/1396173973.db2.gz KPSXJNZROHTDKF-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185378 1396181279 /nfs/dbraw/zinc/18/12/79/1396181279.db2.gz AIBSYAJTUZDQHY-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001502999388 1396239020 /nfs/dbraw/zinc/23/90/20/1396239020.db2.gz APAYVNXGRWBBCJ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001699008413 1406834349 /nfs/dbraw/zinc/83/43/49/1406834349.db2.gz IVOZULYAMQBNQA-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001496298503 1396639535 /nfs/dbraw/zinc/63/95/35/1396639535.db2.gz XZLMCAHUHAYRMY-IBGZPJMESA-N 2 0 337.552 3.027 20 0 EGADRP CCc1cccc(C[N@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001699011433 1406841569 /nfs/dbraw/zinc/84/15/69/1406841569.db2.gz ZFBHMQKWJUPHLS-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497296747 1396744973 /nfs/dbraw/zinc/74/49/73/1396744973.db2.gz HACSZWFKRWAYPI-SJORKVTESA-N 2 0 349.494 3.103 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001497330354 1396749966 /nfs/dbraw/zinc/74/99/66/1396749966.db2.gz GZHBRQPJNFXDPC-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001497968491 1396891483 /nfs/dbraw/zinc/89/14/83/1396891483.db2.gz DVMLWLJVIDURAO-OXQOHEQNSA-N 2 0 341.499 3.020 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21)[NH+](C)C ZINC001498116077 1396921711 /nfs/dbraw/zinc/92/17/11/1396921711.db2.gz ZNESCOHFYDKUPB-FTRWYGJKSA-N 2 0 341.499 3.335 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690392517 1404534078 /nfs/dbraw/zinc/53/40/78/1404534078.db2.gz ZOSSZHUECRYURN-SJORKVTESA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001690504602 1404616779 /nfs/dbraw/zinc/61/67/79/1404616779.db2.gz GCGTXUKTXZJNMC-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001725186961 1425720264 /nfs/dbraw/zinc/72/02/64/1425720264.db2.gz FYLATRKTONILQY-IRXDYDNUSA-N 2 0 345.531 3.015 20 0 EGADRP C[C@H](c1ccccc1F)[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690819064 1404755047 /nfs/dbraw/zinc/75/50/47/1404755047.db2.gz SXJWXIBNSUGBPZ-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP Cc1cc(C[N@H+](C)CCNC(=O)c2cc3c[nH]ccc-3n2)c(C)s1 ZINC001690951408 1404860622 /nfs/dbraw/zinc/86/06/22/1404860622.db2.gz PHMPBKKIGASMQY-UHFFFAOYSA-N 2 0 342.468 3.103 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001691000314 1404916707 /nfs/dbraw/zinc/91/67/07/1404916707.db2.gz BTVWILNKZBFKBE-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCC)C1 ZINC001691865035 1405584797 /nfs/dbraw/zinc/58/47/97/1405584797.db2.gz YUCOTLNTYDKRFF-HXUWFJFHSA-N 2 0 345.531 3.127 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898447 1405620528 /nfs/dbraw/zinc/62/05/28/1405620528.db2.gz PRWISWOPFXSYDP-MOPGFXCFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001731803294 1427970257 /nfs/dbraw/zinc/97/02/57/1427970257.db2.gz JVTONOWBKRKYOQ-UXHICEINSA-N 2 0 345.531 3.449 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001732059002 1428305482 /nfs/dbraw/zinc/30/54/82/1428305482.db2.gz KYBYUWWDWRVSEP-MOPGFXCFSA-N 2 0 345.531 3.226 20 0 EGADRP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732075084 1428326296 /nfs/dbraw/zinc/32/62/96/1428326296.db2.gz NCPCQFQMSNMMQT-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001732154614 1428398056 /nfs/dbraw/zinc/39/80/56/1428398056.db2.gz YRCHSTCLFPBBER-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001732171539 1428416103 /nfs/dbraw/zinc/41/61/03/1428416103.db2.gz SDPWUGZOXIAVER-IBGZPJMESA-N 2 0 345.531 3.185 20 0 EGADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001732216783 1428464284 /nfs/dbraw/zinc/46/42/84/1428464284.db2.gz FVTYQVWVYQDVQR-UYAOXDASSA-N 2 0 345.531 3.272 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001699579860 1412935668 /nfs/dbraw/zinc/93/56/68/1412935668.db2.gz TXDBQTRENGWQOQ-OXQOHEQNSA-N 2 0 343.515 3.025 20 0 EGADRP CC(C)C[N@H+](C)CCC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001732550581 1428731968 /nfs/dbraw/zinc/73/19/68/1428731968.db2.gz WSKFULPBNQAQGN-UHFFFAOYSA-N 2 0 339.568 3.181 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1)C1CCCCC1 ZINC001700177729 1413587195 /nfs/dbraw/zinc/58/71/95/1413587195.db2.gz RYQGCSRPXLYYKK-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001700180694 1413593376 /nfs/dbraw/zinc/59/33/76/1413593376.db2.gz GSQRVCQARIWTNH-UXHICEINSA-N 2 0 345.531 3.114 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001732584429 1428794735 /nfs/dbraw/zinc/79/47/35/1428794735.db2.gz TWTYEUDLSUTFNR-HXUWFJFHSA-N 2 0 345.531 3.185 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CCCC2CCCC2)CC1 ZINC001700697981 1414357733 /nfs/dbraw/zinc/35/77/33/1414357733.db2.gz OJSLYROHVJMIAY-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001700844553 1414493714 /nfs/dbraw/zinc/49/37/14/1414493714.db2.gz WOYOFUZWHNTLKC-AEFFLSMTSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(CC)cc2)C[C@H]1C ZINC001700852352 1414500098 /nfs/dbraw/zinc/50/00/98/1414500098.db2.gz VQPJYCPUWVFUBZ-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001732975862 1429102426 /nfs/dbraw/zinc/10/24/26/1429102426.db2.gz ANTSSFPKAJGHSW-YLJYHZDGSA-N 2 0 345.531 3.352 20 0 EGADRP C[C@H]1CC2(CN1C(=O)C[N@H+](C)CC(C)(C)C)CC[NH+](CC1CC1)CC2 ZINC001707125474 1417211581 /nfs/dbraw/zinc/21/15/81/1417211581.db2.gz RJZGKDTYJUYPIT-KRWDZBQOSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001713004740 1417558521 /nfs/dbraw/zinc/55/85/21/1417558521.db2.gz STOSUGWJKSWPNG-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001713094286 1417642784 /nfs/dbraw/zinc/64/27/84/1417642784.db2.gz BCMSJLNOEIJGRE-HKUYNNGSSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@H]1CCC[C@H](CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)C1 ZINC001713142670 1417724880 /nfs/dbraw/zinc/72/48/80/1417724880.db2.gz CWPPGBAPJHPZEI-ZGXWSNOMSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713219217 1417799573 /nfs/dbraw/zinc/79/95/73/1417799573.db2.gz LFGNCZDVYPVPCN-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001713254464 1417851830 /nfs/dbraw/zinc/85/18/30/1417851830.db2.gz RMFYEYCAPDRCPU-LJQANCHMSA-N 2 0 337.552 3.412 20 0 EGADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713278054 1417900457 /nfs/dbraw/zinc/90/04/57/1417900457.db2.gz QJJDIZMCSANNHW-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001713418740 1418042177 /nfs/dbraw/zinc/04/21/77/1418042177.db2.gz IPABKAFHSMRBSM-ROUUACIJSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)c1ccccc1C[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001713469694 1418136178 /nfs/dbraw/zinc/13/61/78/1418136178.db2.gz WLVDXCLIWWDWGF-UHFFFAOYSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(CC)cc1 ZINC001713548165 1418322610 /nfs/dbraw/zinc/32/26/10/1418322610.db2.gz XRSIJTUXFDFIMI-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC[C@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001713739864 1418539543 /nfs/dbraw/zinc/53/95/43/1418539543.db2.gz YLPOEZHCFJPELB-FQEVSTJZSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713753776 1418555966 /nfs/dbraw/zinc/55/59/66/1418555966.db2.gz SSPLFBIGBJGMIP-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCc1ccccc1C[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001713784547 1418601336 /nfs/dbraw/zinc/60/13/36/1418601336.db2.gz YOGIOZDOVFPFOO-UHFFFAOYSA-N 2 0 345.531 3.014 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835401 1418633804 /nfs/dbraw/zinc/63/38/04/1418633804.db2.gz VOCOJWVZHQOUNX-FXAWDEMLSA-N 2 0 345.531 3.403 20 0 EGADRP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001714044720 1418837762 /nfs/dbraw/zinc/83/77/62/1418837762.db2.gz BNKOPNSBXIPJCF-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001714050519 1418849739 /nfs/dbraw/zinc/84/97/39/1418849739.db2.gz YVWSMLBLZCEBBQ-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCCCCC1 ZINC001714125412 1418930049 /nfs/dbraw/zinc/93/00/49/1418930049.db2.gz VOPLDNXNKXHYOY-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001714416919 1419154133 /nfs/dbraw/zinc/15/41/33/1419154133.db2.gz GJNCEQAWEMPBNL-RBUKOAKNSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714442957 1419174925 /nfs/dbraw/zinc/17/49/25/1419174925.db2.gz QZOJFVMTRDPCAU-PKOBYXMFSA-N 2 0 345.531 3.130 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)cc2)C1 ZINC001714455499 1419187902 /nfs/dbraw/zinc/18/79/02/1419187902.db2.gz XEEMWSJHIRUUDH-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001714499863 1419225365 /nfs/dbraw/zinc/22/53/65/1419225365.db2.gz IWQYMAJSBHIADZ-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP C[N@@H+](C/C=C/c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714541702 1419267379 /nfs/dbraw/zinc/26/73/79/1419267379.db2.gz AUDWPPUBPNGCAH-JLHYYAGUSA-N 2 0 343.515 3.012 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714799102 1419514026 /nfs/dbraw/zinc/51/40/26/1419514026.db2.gz NAJRMPPQZBZFIZ-RBUKOAKNSA-N 2 0 345.531 3.224 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CCC3CC3)CC2)CC1 ZINC001714813279 1419524544 /nfs/dbraw/zinc/52/45/44/1419524544.db2.gz GJWORTDSDOPILT-KRWDZBQOSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001715005231 1419735202 /nfs/dbraw/zinc/73/52/02/1419735202.db2.gz YQGICAPQGFHDOK-DBVUQKKJSA-N 2 0 345.531 3.402 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001715098251 1419838928 /nfs/dbraw/zinc/83/89/28/1419838928.db2.gz LJPNTMZAAVNBAP-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1c(C(=O)NCC2([NH2+]CC3CCCCC3)CC2)ccc2c[nH+]cn21 ZINC001733248163 1429394082 /nfs/dbraw/zinc/39/40/82/1429394082.db2.gz NNSXBFXHIGUEOK-UHFFFAOYSA-N 2 0 340.471 3.075 20 0 EGADRP C[N@H+](CCCC1CCC1)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001715497892 1420179562 /nfs/dbraw/zinc/17/95/62/1420179562.db2.gz IWJQWDRMJFUAJR-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001715501228 1420184040 /nfs/dbraw/zinc/18/40/40/1420184040.db2.gz JMIHCFWNIOLEAC-ZWKOTPCHSA-N 2 0 337.552 3.027 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001715950751 1420417727 /nfs/dbraw/zinc/41/77/27/1420417727.db2.gz WWZVGJNSYQJKGC-SJORKVTESA-N 2 0 333.520 3.128 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716730606 1420888702 /nfs/dbraw/zinc/88/87/02/1420888702.db2.gz ATIPTTDECXMXFM-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1)[NH+]1CCCC1 ZINC001716782005 1420919672 /nfs/dbraw/zinc/91/96/72/1420919672.db2.gz QEKBMVZQAILYIF-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)NC1(C)CC[NH+]([C@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001716796904 1420930051 /nfs/dbraw/zinc/93/00/51/1420930051.db2.gz LTUKDPACTUPHIX-QAPCUYQASA-N 2 0 349.494 3.198 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001717098158 1421109101 /nfs/dbraw/zinc/10/91/01/1421109101.db2.gz WLDYRNKLCRUZDQ-IRXDYDNUSA-N 2 0 349.494 3.057 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1)c1ccccc1 ZINC001717125222 1421127446 /nfs/dbraw/zinc/12/74/46/1421127446.db2.gz GHKDAIHBNDLYET-IHPCNDPISA-N 2 0 345.531 3.352 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001717202201 1421170198 /nfs/dbraw/zinc/17/01/98/1421170198.db2.gz OMLUNAHDIQVGCV-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001717211200 1421185043 /nfs/dbraw/zinc/18/50/43/1421185043.db2.gz ICAPDNGPIPWWSQ-GOSISDBHSA-N 2 0 345.531 3.178 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001717454203 1421383985 /nfs/dbraw/zinc/38/39/85/1421383985.db2.gz RXPPAPNZRAZKDJ-PKOBYXMFSA-N 2 0 345.531 3.306 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001717485959 1421422578 /nfs/dbraw/zinc/42/25/78/1421422578.db2.gz WYGUFGIFWMIGFZ-HUUCEWRRSA-N 2 0 339.911 3.179 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001717803140 1421630779 /nfs/dbraw/zinc/63/07/79/1421630779.db2.gz STROVQDONJLVNW-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2CC)[C@H]1C ZINC001717860195 1421672628 /nfs/dbraw/zinc/67/26/28/1421672628.db2.gz IERBHYXZMHHZMS-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001717873547 1421681448 /nfs/dbraw/zinc/68/14/48/1421681448.db2.gz RXXAXDQQVUFDIR-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001717998712 1421765993 /nfs/dbraw/zinc/76/59/93/1421765993.db2.gz HRMMPSITRFPSTA-ACBHZAAOSA-N 2 0 331.504 3.059 20 0 EGADRP CCc1ccccc1C[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001733360670 1429544225 /nfs/dbraw/zinc/54/42/25/1429544225.db2.gz WYPYZIXIELPKAT-UHFFFAOYSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CCC2)C2CCCC2)CC1 ZINC001733387359 1429575403 /nfs/dbraw/zinc/57/54/03/1429575403.db2.gz PVDASBHKFNGWIV-HXUWFJFHSA-N 2 0 349.563 3.172 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C2)cc1 ZINC001723876104 1424594994 /nfs/dbraw/zinc/59/49/94/1424594994.db2.gz PVODMBJCKYFFPA-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001724174477 1424708773 /nfs/dbraw/zinc/70/87/73/1424708773.db2.gz QPMNFRSISRKIMS-OAQYLSRUSA-N 2 0 345.531 3.054 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001724780266 1425145251 /nfs/dbraw/zinc/14/52/51/1425145251.db2.gz XWZYQILHDYHNRC-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724853414 1425219418 /nfs/dbraw/zinc/21/94/18/1425219418.db2.gz USKJBAUTCYALCS-UHFFFAOYSA-N 2 0 345.531 3.068 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001724853027 1425219760 /nfs/dbraw/zinc/21/97/60/1425219760.db2.gz SMYQGRCPOKFABY-QUCCMNQESA-N 2 0 345.531 3.402 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001724991465 1425394793 /nfs/dbraw/zinc/39/47/93/1425394793.db2.gz HICYURVZYXPHGP-HKUYNNGSSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2F)[C@H](C)C1 ZINC001725002647 1425412187 /nfs/dbraw/zinc/41/21/87/1425412187.db2.gz LMQGBFPWRUXSTK-SJLPKXTDSA-N 2 0 349.494 3.027 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001725004899 1425418925 /nfs/dbraw/zinc/41/89/25/1425418925.db2.gz GDDHNXLGGQVZBJ-LNLFQRSKSA-N 2 0 333.520 3.127 20 0 EGADRP C[NH+](CC(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C)C1CCC1 ZINC001725044744 1425473074 /nfs/dbraw/zinc/47/30/74/1425473074.db2.gz ZDKJYMRJYIKXBB-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1cccc(CC)c1 ZINC001725054415 1425489295 /nfs/dbraw/zinc/48/92/95/1425489295.db2.gz VXOAGXRZSAYIDD-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001725151552 1425636677 /nfs/dbraw/zinc/63/66/77/1425636677.db2.gz VWLDNQJYGZJZSE-ZWKOTPCHSA-N 2 0 345.531 3.164 20 0 EGADRP CC1CC(C[N@@H+]2CCCCC[C@H]2CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001725243368 1425855300 /nfs/dbraw/zinc/85/53/00/1425855300.db2.gz SXOVDXAGKRXOPB-UUKMXZOPSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001731447013 1427424471 /nfs/dbraw/zinc/42/44/71/1427424471.db2.gz GDLCXEDJVRTTDQ-BPUTZDHNSA-N 2 0 328.460 3.096 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001731460805 1427436748 /nfs/dbraw/zinc/43/67/48/1427436748.db2.gz ISRGHBSLZXJMHF-WGSAOQKQSA-N 2 0 331.504 3.035 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731560328 1427594898 /nfs/dbraw/zinc/59/48/98/1427594898.db2.gz VOZCQXGCYMDYGS-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001731729856 1427804788 /nfs/dbraw/zinc/80/47/88/1427804788.db2.gz VZLZPMCURNQMLL-SJORKVTESA-N 2 0 331.504 3.025 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1cccc(F)c1 ZINC001731864192 1428108242 /nfs/dbraw/zinc/10/82/42/1428108242.db2.gz GYJWVAMLCZKXMT-FRQCXROJSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001731920908 1428170594 /nfs/dbraw/zinc/17/05/94/1428170594.db2.gz XLOOLMCPRANETP-YOEHRIQHSA-N 2 0 339.911 3.035 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001733692347 1429909554 /nfs/dbraw/zinc/90/95/54/1429909554.db2.gz ZHLIYLWTQZUYDI-IRJFHVNHSA-N 2 0 349.563 3.029 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CCC1 ZINC001733717786 1429937290 /nfs/dbraw/zinc/93/72/90/1429937290.db2.gz BUUYXWKGZFDQMF-GOSISDBHSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001733783157 1430051488 /nfs/dbraw/zinc/05/14/88/1430051488.db2.gz WPYQHTZKFCMTLG-MOPGFXCFSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001733905852 1437723769 /nfs/dbraw/zinc/72/37/69/1437723769.db2.gz ZJGWDVARHWUMRW-JKSUJKDBSA-N 2 0 349.494 3.246 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C)cc1C ZINC001733938075 1437752862 /nfs/dbraw/zinc/75/28/62/1437752862.db2.gz MXHSEJKUFLAKIQ-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@H]2C)cc1 ZINC001734405501 1438084424 /nfs/dbraw/zinc/08/44/24/1438084424.db2.gz PMNNMXPJGFBIRU-FXAWDEMLSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001734422931 1438090606 /nfs/dbraw/zinc/09/06/06/1438090606.db2.gz KFTPFQVTFPAJMS-FUHWJXTLSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001734462454 1438119253 /nfs/dbraw/zinc/11/92/53/1438119253.db2.gz VUBYPTLCTBJGAL-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cccc(C)c1 ZINC001752229108 1440158016 /nfs/dbraw/zinc/15/80/16/1440158016.db2.gz HRAMMRXUYQFQJB-RTBURBONSA-N 2 0 345.531 3.196 20 0 EGADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001752310518 1440170100 /nfs/dbraw/zinc/17/01/00/1440170100.db2.gz PQLCMSCQOHEEHC-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001752426773 1440177259 /nfs/dbraw/zinc/17/72/59/1440177259.db2.gz LCTBTQZUQLWVBT-SFHVURJKSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752508334 1440189974 /nfs/dbraw/zinc/18/99/74/1440189974.db2.gz QVXHNUMIZSZJPJ-RTBURBONSA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752528502 1440193714 /nfs/dbraw/zinc/19/37/14/1440193714.db2.gz SUCVYJHOYPJFAD-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001752706868 1440202832 /nfs/dbraw/zinc/20/28/32/1440202832.db2.gz KKQPLHFDEUJZFC-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001752823126 1440221989 /nfs/dbraw/zinc/22/19/89/1440221989.db2.gz VZQJWEKZBVMJBB-MOPGFXCFSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001752823314 1440222113 /nfs/dbraw/zinc/22/21/13/1440222113.db2.gz ASEHGZROWVVQRZ-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001752828236 1440224488 /nfs/dbraw/zinc/22/44/88/1440224488.db2.gz SQCXYGLEPITDKR-BGEOSOQGSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752837326 1440228577 /nfs/dbraw/zinc/22/85/77/1440228577.db2.gz SCQYAQYRMGCYII-XSAZBNQGSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001752854318 1440234460 /nfs/dbraw/zinc/23/44/60/1440234460.db2.gz BIRQXZJRBYYDNO-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001752876504 1440238108 /nfs/dbraw/zinc/23/81/08/1440238108.db2.gz ADKTYPRWSGHBMG-AWEZNQCLSA-N 2 0 335.517 3.018 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC/C=C/c1ccccc1 ZINC001752891572 1440240974 /nfs/dbraw/zinc/24/09/74/1440240974.db2.gz NABSUVCGILPQTB-JQTSXJCQSA-N 2 0 343.515 3.059 20 0 EGADRP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CCC1CCCCC1 ZINC001752910571 1440245221 /nfs/dbraw/zinc/24/52/21/1440245221.db2.gz FBSVPERTNHNMNZ-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752980640 1440256940 /nfs/dbraw/zinc/25/69/40/1440256940.db2.gz POTDXBSCJHGVCH-RTBURBONSA-N 2 0 337.552 3.170 20 0 EGADRP CC1CC(C[N@H+](C)[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001753001046 1440264657 /nfs/dbraw/zinc/26/46/57/1440264657.db2.gz RUPZQWNFKLDBTR-SOAGJPPSSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H](C)CCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001753020262 1440269686 /nfs/dbraw/zinc/26/96/86/1440269686.db2.gz HXKJAMOPFCIATQ-LJQANCHMSA-N 2 0 345.531 3.164 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753032637 1440273488 /nfs/dbraw/zinc/27/34/88/1440273488.db2.gz UEBVIJXTGJNANI-GOSISDBHSA-N 2 0 335.536 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001753034405 1440274101 /nfs/dbraw/zinc/27/41/01/1440274101.db2.gz HJTDSULRCONXOP-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001753036354 1440274847 /nfs/dbraw/zinc/27/48/47/1440274847.db2.gz WXNAVOWSUBZABW-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)c1ccccc1F ZINC001753086185 1440296340 /nfs/dbraw/zinc/29/63/40/1440296340.db2.gz HQUZMROPACRBAN-INIZCTEOSA-N 2 0 349.494 3.199 20 0 EGADRP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CCC1CCCCC1 ZINC001753086430 1440296682 /nfs/dbraw/zinc/29/66/82/1440296682.db2.gz QUPMYKDITQHTTD-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001753092806 1440300148 /nfs/dbraw/zinc/30/01/48/1440300148.db2.gz IUAVIGUKGNSXGP-LJQANCHMSA-N 2 0 345.531 3.090 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001753105856 1440306039 /nfs/dbraw/zinc/30/60/39/1440306039.db2.gz IVIRKOAPULDDGI-HKUYNNGSSA-N 2 0 343.515 3.121 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C)cc1C ZINC001753144838 1440323518 /nfs/dbraw/zinc/32/35/18/1440323518.db2.gz KOZTYLOJPOPKDS-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC1CCCCC1)C1CC1 ZINC001753154643 1440330111 /nfs/dbraw/zinc/33/01/11/1440330111.db2.gz KZSKWKQYCMBMIL-HXUWFJFHSA-N 2 0 349.563 3.410 20 0 EGADRP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001753189775 1440337550 /nfs/dbraw/zinc/33/75/50/1440337550.db2.gz QZOQMJMNMWDBAZ-GOSISDBHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001753278981 1440346949 /nfs/dbraw/zinc/34/69/49/1440346949.db2.gz YGFNZCHXQGRXRL-QGZVFWFLSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001753287187 1440349097 /nfs/dbraw/zinc/34/90/97/1440349097.db2.gz NLZUCKLBMMIYIT-GOSISDBHSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001753299082 1440353369 /nfs/dbraw/zinc/35/33/69/1440353369.db2.gz SCFWARKWNAIEDE-WOJBJXKFSA-N 2 0 343.515 3.249 20 0 EGADRP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001753299081 1440353418 /nfs/dbraw/zinc/35/34/18/1440353418.db2.gz SCFWARKWNAIEDE-VQTJNVASSA-N 2 0 343.515 3.249 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001753323898 1440365252 /nfs/dbraw/zinc/36/52/52/1440365252.db2.gz SQIQZCIOPRKEMX-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001753323899 1440365339 /nfs/dbraw/zinc/36/53/39/1440365339.db2.gz SQIQZCIOPRKEMX-HXUWFJFHSA-N 2 0 343.515 3.085 20 0 EGADRP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001753325506 1440366237 /nfs/dbraw/zinc/36/62/37/1440366237.db2.gz BPRZWMGZJMRERU-MSOLQXFVSA-N 2 0 339.568 3.323 20 0 EGADRP CCCCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001753366318 1440385483 /nfs/dbraw/zinc/38/54/83/1440385483.db2.gz VSTJEWXUSTWHHD-GOSISDBHSA-N 2 0 337.552 3.079 20 0 EGADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C)(C)CC1 ZINC001753426998 1440397054 /nfs/dbraw/zinc/39/70/54/1440397054.db2.gz ZBAIIZZKLQVKTA-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001753449850 1440405373 /nfs/dbraw/zinc/40/53/73/1440405373.db2.gz NFZYXSRDWGIFAI-FQEVSTJZSA-N 2 0 349.563 3.366 20 0 EGADRP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753461094 1440410775 /nfs/dbraw/zinc/41/07/75/1440410775.db2.gz DDRPWVCCOMMTCG-ROUUACIJSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001753584809 1440441035 /nfs/dbraw/zinc/44/10/35/1440441035.db2.gz JWNIYIJYXQQOIL-VJANTYMQSA-N 2 0 337.552 3.314 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001753599107 1440445823 /nfs/dbraw/zinc/44/58/23/1440445823.db2.gz CQBFJLUZGOMKKK-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001753599481 1440445936 /nfs/dbraw/zinc/44/59/36/1440445936.db2.gz BYUKCPHDGUHKEJ-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001753616211 1440449718 /nfs/dbraw/zinc/44/97/18/1440449718.db2.gz AWXVLYZDTPWFRB-PKOBYXMFSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001753617920 1440450057 /nfs/dbraw/zinc/45/00/57/1440450057.db2.gz BGPPVFOMPZKWGK-AZUAARDMSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753717765 1440472385 /nfs/dbraw/zinc/47/23/85/1440472385.db2.gz VVBTVCSQJDFAKK-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001753749187 1440481998 /nfs/dbraw/zinc/48/19/98/1440481998.db2.gz DUAIQGUQWQZFFE-LJQANCHMSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001753755268 1440482952 /nfs/dbraw/zinc/48/29/52/1440482952.db2.gz PAFIVXBPGYAPJK-BTFXCVNISA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001753799134 1440490431 /nfs/dbraw/zinc/49/04/31/1440490431.db2.gz ZRUXWGURXWMAOD-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@H](C)C[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001753819806 1440495183 /nfs/dbraw/zinc/49/51/83/1440495183.db2.gz DXDZCGLZUAZQEM-KRWDZBQOSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1=CCCCC1 ZINC001753834577 1440500523 /nfs/dbraw/zinc/50/05/23/1440500523.db2.gz LQLAXCDEFSVNMO-SFHVURJKSA-N 2 0 335.536 3.092 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001753874499 1440518589 /nfs/dbraw/zinc/51/85/89/1440518589.db2.gz GLXXRHQHOVYRCV-OAHLLOKOSA-N 2 0 339.911 3.133 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001753877385 1440519817 /nfs/dbraw/zinc/51/98/17/1440519817.db2.gz GEMAQHJWPMDWAU-WOJBJXKFSA-N 2 0 349.563 3.366 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001753903037 1440523685 /nfs/dbraw/zinc/52/36/85/1440523685.db2.gz UWBBFCMUNPXZKS-PMACEKPBSA-N 2 0 347.547 3.237 20 0 EGADRP C[C@H](CC[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C1([NH+](C)C)CCC1 ZINC001753970848 1440527124 /nfs/dbraw/zinc/52/71/24/1440527124.db2.gz LPVNARBXXJEAEL-VQIMIIECSA-N 2 0 343.515 3.033 20 0 EGADRP C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754018135 1440532090 /nfs/dbraw/zinc/53/20/90/1440532090.db2.gz BFWCMRQHZZDYJW-IRXDYDNUSA-N 2 0 349.494 3.103 20 0 EGADRP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001754102950 1440541417 /nfs/dbraw/zinc/54/14/17/1440541417.db2.gz GXQORXOBGBYYBK-JDTHPWDHSA-N 2 0 349.906 3.147 20 0 EGADRP CC(C)(C(=O)NC/C=C\C[NH2+]CCC1CCCCC1)[NH+]1CCCCC1 ZINC001754120389 1440542671 /nfs/dbraw/zinc/54/26/71/1440542671.db2.gz SYZIKJVINZUPKI-FPLPWBNLSA-N 2 0 349.563 3.483 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001754309682 1440572716 /nfs/dbraw/zinc/57/27/16/1440572716.db2.gz DLVTWGZTNHALES-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754326290 1440580823 /nfs/dbraw/zinc/58/08/23/1440580823.db2.gz HAKQHUHMSOOVEI-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754330754 1440583653 /nfs/dbraw/zinc/58/36/53/1440583653.db2.gz NTQMPKJWRGCLDF-GJZGRUSLSA-N 2 0 339.911 3.179 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001754335426 1440586279 /nfs/dbraw/zinc/58/62/79/1440586279.db2.gz COTSSBHQXDARNP-HKUYNNGSSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cccc2ccccc21 ZINC001754337195 1440587212 /nfs/dbraw/zinc/58/72/12/1440587212.db2.gz UCCUXRDECMPZPJ-KRWDZBQOSA-N 2 0 341.499 3.117 20 0 EGADRP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001754347320 1440590006 /nfs/dbraw/zinc/59/00/06/1440590006.db2.gz XMIPLIPNANKPKG-FUHWJXTLSA-N 2 0 337.552 3.312 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001754348704 1440590359 /nfs/dbraw/zinc/59/03/59/1440590359.db2.gz MGEYYCKYPNNSSD-OALUTQOASA-N 2 0 349.563 3.173 20 0 EGADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001754391783 1440594217 /nfs/dbraw/zinc/59/42/17/1440594217.db2.gz HOSPVCCLMKIHCG-JZXOWHBKSA-N 2 0 349.494 3.055 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001754505517 1440616191 /nfs/dbraw/zinc/61/61/91/1440616191.db2.gz VGNIGGNDUWNQIM-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CC1 ZINC001754528007 1440621691 /nfs/dbraw/zinc/62/16/91/1440621691.db2.gz YATHKPCUMAYFJI-GOSISDBHSA-N 2 0 335.536 3.068 20 0 EGADRP CC/C=C\CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001754539760 1440625852 /nfs/dbraw/zinc/62/58/52/1440625852.db2.gz VANMJIYDCSQHAP-XOUUWWQPSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001754558213 1440632549 /nfs/dbraw/zinc/63/25/49/1440632549.db2.gz ZRIGEVSNNKXHSL-PZJWPPBQSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001754655720 1440653373 /nfs/dbraw/zinc/65/33/73/1440653373.db2.gz SNJIVCXKKZRKBR-OALUTQOASA-N 2 0 337.552 3.170 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754686096 1440665088 /nfs/dbraw/zinc/66/50/88/1440665088.db2.gz YUGNZIVYOXTKGB-ICSRJNTNSA-N 2 0 349.494 3.198 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001754705828 1440668955 /nfs/dbraw/zinc/66/89/55/1440668955.db2.gz MDGWMOANERZKSA-WIYYLYMNSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001754705825 1440669056 /nfs/dbraw/zinc/66/90/56/1440669056.db2.gz MDGWMOANERZKSA-GHTZIAJQSA-N 2 0 347.547 3.047 20 0 EGADRP Cc1ccc(C[N@H+]2CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C2)cc1 ZINC001754730482 1440678866 /nfs/dbraw/zinc/67/88/66/1440678866.db2.gz WYHOITIULAOZLS-OAQYLSRUSA-N 2 0 345.531 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](CCCC(C)(C)C)C1 ZINC001754731802 1440679976 /nfs/dbraw/zinc/67/99/76/1440679976.db2.gz JXLOSVZDFSMJJO-HXUWFJFHSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754837703 1440697241 /nfs/dbraw/zinc/69/72/41/1440697241.db2.gz RPRRUNHMDBOXMS-HXUWFJFHSA-N 2 0 345.531 3.278 20 0 EGADRP CC[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001754944061 1440712379 /nfs/dbraw/zinc/71/23/79/1440712379.db2.gz BMCBENJOOZSMIZ-ZWKOTPCHSA-N 2 0 345.531 3.236 20 0 EGADRP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001754948489 1440714195 /nfs/dbraw/zinc/71/41/95/1440714195.db2.gz ZKRWOUUGVYLLLS-GPMSIDNRSA-N 2 0 331.504 3.094 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001755026685 1440729207 /nfs/dbraw/zinc/72/92/07/1440729207.db2.gz UZIQUMUOZHCPBX-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027517 1440729655 /nfs/dbraw/zinc/72/96/55/1440729655.db2.gz BBHRDNCFKWXYSV-OALUTQOASA-N 2 0 331.504 3.060 20 0 EGADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001755028449 1440729983 /nfs/dbraw/zinc/72/99/83/1440729983.db2.gz FHEILJWWVCCSPL-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755031546 1440731838 /nfs/dbraw/zinc/73/18/38/1440731838.db2.gz UNJDCDUWIMVCOL-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755043325 1440738908 /nfs/dbraw/zinc/73/89/08/1440738908.db2.gz RWZGIUNIKPIHOK-SJORKVTESA-N 2 0 349.494 3.009 20 0 EGADRP CC[N@@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CCCCC3)cc2C1 ZINC001755102319 1440753357 /nfs/dbraw/zinc/75/33/57/1440753357.db2.gz PRVOTZSFRBZJGS-UHFFFAOYSA-N 2 0 343.515 3.150 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001755141870 1440760767 /nfs/dbraw/zinc/76/07/67/1440760767.db2.gz KOBSECDDPJFXLE-PKOBYXMFSA-N 2 0 345.531 3.306 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001755199327 1440778636 /nfs/dbraw/zinc/77/86/36/1440778636.db2.gz UXEFLHWEYUSQKU-SFHVURJKSA-N 2 0 339.568 3.323 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001755201289 1440779932 /nfs/dbraw/zinc/77/99/32/1440779932.db2.gz QJWJNJBVUGSLRK-UXHICEINSA-N 2 0 345.531 3.401 20 0 EGADRP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001755222064 1440784847 /nfs/dbraw/zinc/78/48/47/1440784847.db2.gz VJWDHZSRVGZMBZ-NKELODKYSA-N 2 0 349.563 3.027 20 0 EGADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001755253470 1440792624 /nfs/dbraw/zinc/79/26/24/1440792624.db2.gz LEFATHSQKISCET-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001755322541 1440819383 /nfs/dbraw/zinc/81/93/83/1440819383.db2.gz KNZBBFWAURDGTP-FXAWDEMLSA-N 2 0 345.531 3.232 20 0 EGADRP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[N@H+](C)CC1CCCCC1 ZINC001755325683 1440821484 /nfs/dbraw/zinc/82/14/84/1440821484.db2.gz ZTXQIVSRFHNAOR-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[N@H+](C)CC1CCCCC1 ZINC001755325684 1440821573 /nfs/dbraw/zinc/82/15/73/1440821573.db2.gz ZTXQIVSRFHNAOR-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001755342989 1440825890 /nfs/dbraw/zinc/82/58/90/1440825890.db2.gz ONSLDHVOXJOJCW-PMACEKPBSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001755413210 1440847282 /nfs/dbraw/zinc/84/72/82/1440847282.db2.gz VGUXTLGCWVFQCX-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001755454275 1440854994 /nfs/dbraw/zinc/85/49/94/1440854994.db2.gz ZBGPLLHKNMHKBX-BSMJBHPZSA-N 2 0 347.547 3.044 20 0 EGADRP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001755471162 1440858861 /nfs/dbraw/zinc/85/88/61/1440858861.db2.gz QIAMKFOPRLARCT-FHWLQOOXSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001755518006 1440864593 /nfs/dbraw/zinc/86/45/93/1440864593.db2.gz ZQVXOLGEYUJDAN-PKOBYXMFSA-N 2 0 345.531 3.020 20 0 EGADRP CC(C)[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1=CCCCC1 ZINC001755550280 1440871856 /nfs/dbraw/zinc/87/18/56/1440871856.db2.gz ZZPUZPFQPKWHSQ-LJQANCHMSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001755571148 1440876931 /nfs/dbraw/zinc/87/69/31/1440876931.db2.gz OBXLHYKVTBRZHG-UXHICEINSA-N 2 0 347.547 3.186 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001755587520 1440880769 /nfs/dbraw/zinc/88/07/69/1440880769.db2.gz FVTDYBJLPCAQSE-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001755667513 1440893700 /nfs/dbraw/zinc/89/37/00/1440893700.db2.gz VVGCZPJLNIDVLD-YLJYHZDGSA-N 2 0 345.531 3.229 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755687009 1440896046 /nfs/dbraw/zinc/89/60/46/1440896046.db2.gz RSBRZLUVAQKRNT-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001755703360 1440901400 /nfs/dbraw/zinc/90/14/00/1440901400.db2.gz XMPQIELBBNJNJK-MLYOOKFZSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001755722250 1440908065 /nfs/dbraw/zinc/90/80/65/1440908065.db2.gz HBNXOSPBRVKWFL-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCCC1 ZINC001755723446 1440908391 /nfs/dbraw/zinc/90/83/91/1440908391.db2.gz PCSXTGVNRKCEQV-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C)c(C[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C)c(C)c1 ZINC001755811905 1440920822 /nfs/dbraw/zinc/92/08/22/1440920822.db2.gz FMZRZHYIDAVGQF-UHFFFAOYSA-N 2 0 347.547 3.232 20 0 EGADRP CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001755812525 1440921228 /nfs/dbraw/zinc/92/12/28/1440921228.db2.gz RTSJZFQYXHSJNN-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CC(C[NH2+]C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C)C1 ZINC001755826290 1440927307 /nfs/dbraw/zinc/92/73/07/1440927307.db2.gz NWOHEATWVUHECY-DAWZGUTISA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001755827665 1440927726 /nfs/dbraw/zinc/92/77/26/1440927726.db2.gz QNQFZRAKOCIIDS-ROUUACIJSA-N 2 0 337.552 3.027 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001755830241 1440928478 /nfs/dbraw/zinc/92/84/78/1440928478.db2.gz KUHCHMLWUKHIEV-MOPGFXCFSA-N 2 0 345.531 3.136 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]CC(CC)CC)C2)C1 ZINC001755860275 1440936649 /nfs/dbraw/zinc/93/66/49/1440936649.db2.gz YSHPRAXSTFZLHZ-LMDPOFIKSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2(C3CC[NH+](CCC(C)(C)C)CC3)CC2)C1 ZINC001755869379 1440938596 /nfs/dbraw/zinc/93/85/96/1440938596.db2.gz DQYOMHXHAGTUQE-KRWDZBQOSA-N 2 0 349.563 3.125 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001755894398 1440942388 /nfs/dbraw/zinc/94/23/88/1440942388.db2.gz RIBRHSVBRPKZSN-MSOLQXFVSA-N 2 0 335.536 3.045 20 0 EGADRP CC/C=C/CC[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001755894977 1440942424 /nfs/dbraw/zinc/94/24/24/1440942424.db2.gz RKXWBLUNMVIFGZ-BQYQJAHWSA-N 2 0 335.536 3.069 20 0 EGADRP CCCCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755899343 1440943582 /nfs/dbraw/zinc/94/35/82/1440943582.db2.gz MBLURTHPQKBASO-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N)cc[nH+]2)CC3)cs1 ZINC001164694459 719803431 /nfs/dbraw/zinc/80/34/31/719803431.db2.gz YUIKLOSZMHAVQC-UHFFFAOYSA-N 2 0 343.500 3.064 20 0 EGADRP Cc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)cc(N2CCCC2)[nH+]1 ZINC001165046814 721966017 /nfs/dbraw/zinc/96/60/17/721966017.db2.gz PCTQBVTWDRGNIZ-SFHVURJKSA-N 2 0 343.519 3.230 20 0 EGADRP CN1CCC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1cccs1 ZINC000368217255 168326482 /nfs/dbraw/zinc/32/64/82/168326482.db2.gz XDDYQQQNTBBOAV-DYVFJYSZSA-N 2 0 341.484 3.144 20 0 EGADRP C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000368217317 168326870 /nfs/dbraw/zinc/32/68/70/168326870.db2.gz XREQKYZTBCRIKX-HNNXBMFYSA-N 2 0 335.455 3.225 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000368450300 168357827 /nfs/dbraw/zinc/35/78/27/168357827.db2.gz HWRQSTPCIIDQHZ-LJQANCHMSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093089224 282241208 /nfs/dbraw/zinc/24/12/08/282241208.db2.gz TZGXBAJVKKRRHU-UHFFFAOYSA-N 2 0 344.478 3.402 20 0 EGADRP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187297796 529893807 /nfs/dbraw/zinc/89/38/07/529893807.db2.gz UPBVIBMNZGZYIG-NHCUHLMSSA-N 2 0 330.516 3.275 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000179704348 233341735 /nfs/dbraw/zinc/34/17/35/233341735.db2.gz UWUHYRCVSCQROE-UHFFFAOYSA-N 2 0 336.451 3.246 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193912740 240358961 /nfs/dbraw/zinc/35/89/61/240358961.db2.gz KFWSMPIYPZLZRY-PMACEKPBSA-N 2 0 348.556 3.277 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000130302172 223142380 /nfs/dbraw/zinc/14/23/80/223142380.db2.gz GVVWYQPEANOVGG-QRWLVFNGSA-N 2 0 346.446 3.150 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000677755799 549326986 /nfs/dbraw/zinc/32/69/86/549326986.db2.gz RQJXIMCYZAWPLV-AWEZNQCLSA-N 2 0 333.501 3.285 20 0 EGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000194295965 240515449 /nfs/dbraw/zinc/51/54/49/240515449.db2.gz MKRPGTGEYDHIJF-UHFFFAOYSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H](CC[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000194300379 240515793 /nfs/dbraw/zinc/51/57/93/240515793.db2.gz BBWYABUJYDMGHO-GOSISDBHSA-N 2 0 338.499 3.117 20 0 EGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000236663616 242311155 /nfs/dbraw/zinc/31/11/55/242311155.db2.gz XVIDWHUYCUZXHF-HXUWFJFHSA-N 2 0 339.483 3.233 20 0 EGADRP Cc1ccccc1C1CC([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000236691870 242321006 /nfs/dbraw/zinc/32/10/06/242321006.db2.gz BLDKPIZHWMTBGS-GZNCHQMQSA-N 2 0 329.532 3.103 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000263263079 291407192 /nfs/dbraw/zinc/40/71/92/291407192.db2.gz RFJIERBXDDWBAD-HBFSDRIKSA-N 2 0 335.536 3.009 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000263284452 245382130 /nfs/dbraw/zinc/38/21/30/245382130.db2.gz TVQSJCAZEMRWBR-RLLQIKCJSA-N 2 0 341.499 3.184 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000263284455 245383750 /nfs/dbraw/zinc/38/37/50/245383750.db2.gz TVQSJCAZEMRWBR-SXLOBPIMSA-N 2 0 341.499 3.184 20 0 EGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000079017608 217175402 /nfs/dbraw/zinc/17/54/02/217175402.db2.gz GIWGDWZQSZEFIN-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000266018053 248034276 /nfs/dbraw/zinc/03/42/76/248034276.db2.gz QULSYRJYWRSAEI-FQEVSTJZSA-N 2 0 339.483 3.434 20 0 EGADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000377648139 169054713 /nfs/dbraw/zinc/05/47/13/169054713.db2.gz OCIIEBVGKFISPS-WBVHZDCISA-N 2 0 349.544 3.074 20 0 EGADRP CC(=O)N(C)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000092538607 218148440 /nfs/dbraw/zinc/14/84/40/218148440.db2.gz WFOLANDLAKLSRT-UHFFFAOYSA-N 2 0 345.531 3.087 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1OC ZINC000093089335 218193572 /nfs/dbraw/zinc/19/35/72/218193572.db2.gz PORHCIOGBRJUNW-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000093132789 218195578 /nfs/dbraw/zinc/19/55/78/218195578.db2.gz ODDZVZGVWPDWJE-KRWDZBQOSA-N 2 0 329.513 3.113 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261817664 296314123 /nfs/dbraw/zinc/31/41/23/296314123.db2.gz SIPSKTUBRUTIDS-FUHIMQAGSA-N 2 0 343.515 3.195 20 0 EGADRP C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268733423 252182785 /nfs/dbraw/zinc/18/27/85/252182785.db2.gz PGXVJTWMWOLODK-MRXNPFEDSA-N 2 0 338.455 3.126 20 0 EGADRP Cc1nc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cs1 ZINC000268740420 252189695 /nfs/dbraw/zinc/18/96/95/252189695.db2.gz CUUIVYWEHITAHK-CQSZACIVSA-N 2 0 333.501 3.285 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178253518 533340333 /nfs/dbraw/zinc/34/03/33/533340333.db2.gz OCINTKOTHDKPQM-QGZVFWFLSA-N 3 0 345.531 3.152 20 0 EGADRP C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178254780 533340426 /nfs/dbraw/zinc/34/04/26/533340426.db2.gz NHYFDKOEFPNZCI-QGZVFWFLSA-N 2 0 345.531 3.152 20 0 EGADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000183949369 533359452 /nfs/dbraw/zinc/35/94/52/533359452.db2.gz UOCDWIJWNZIFGD-MRXNPFEDSA-N 2 0 345.487 3.416 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236891800 141000413 /nfs/dbraw/zinc/00/04/13/141000413.db2.gz DPCILXPREVTPHM-BXWFABGCSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@]1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000237560205 141007985 /nfs/dbraw/zinc/00/79/85/141007985.db2.gz VYSUMELSQYTAHG-IEBWSBKVSA-N 2 0 349.906 3.125 20 0 EGADRP Cc1cccc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)oc21 ZINC000348003077 141231340 /nfs/dbraw/zinc/23/13/40/141231340.db2.gz CMURHLNJPHBGQO-UHFFFAOYSA-N 2 0 345.487 3.087 20 0 EGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)Cc2ccccc2)C1 ZINC000354602815 141313419 /nfs/dbraw/zinc/31/34/19/141313419.db2.gz MCLQRIXXUSBTIZ-WOJBJXKFSA-N 2 0 345.531 3.087 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000359601408 141383393 /nfs/dbraw/zinc/38/33/93/141383393.db2.gz UZGVGHBYRPVBEI-JBACZVJFSA-N 2 0 347.547 3.016 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C[NH+]1CCCC1 ZINC000165306837 143987770 /nfs/dbraw/zinc/98/77/70/143987770.db2.gz CTLUVHRZLHFSTD-IAGOWNOFSA-N 2 0 329.488 3.196 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178409171 144071103 /nfs/dbraw/zinc/07/11/03/144071103.db2.gz FLXYYWBHEDWXFZ-GOSISDBHSA-N 3 0 333.520 3.154 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000344821346 144228154 /nfs/dbraw/zinc/22/81/54/144228154.db2.gz JAJQORLNZSXBGT-GOSISDBHSA-N 2 0 332.488 3.208 20 0 EGADRP CCOc1c(Cl)cc(C[NH+]2CCC(C[NH2+]C)CC2)cc1OC ZINC000347034193 144251586 /nfs/dbraw/zinc/25/15/86/144251586.db2.gz CJTQDCGPSZCEJL-UHFFFAOYSA-N 2 0 326.868 3.179 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CC2(OC)CCCCC2)CC1 ZINC000361575116 144331071 /nfs/dbraw/zinc/33/10/71/144331071.db2.gz AOFHNERUUYTSCU-UHFFFAOYSA-N 2 0 326.525 3.159 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000341267373 155219502 /nfs/dbraw/zinc/21/95/02/155219502.db2.gz FWHQTADZEMUZQR-CQSZACIVSA-N 2 0 342.886 3.093 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)nc1 ZINC000341276184 155225513 /nfs/dbraw/zinc/22/55/13/155225513.db2.gz SHDDHUSATVKCDD-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP Cc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000131810733 292204529 /nfs/dbraw/zinc/20/45/29/292204529.db2.gz BTXTZOZNSVDTCK-QFIPXVFZSA-N 2 0 337.511 3.312 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119957225 152240680 /nfs/dbraw/zinc/24/06/80/152240680.db2.gz YALKQUUSTUZETP-HZPDHXFCSA-N 2 0 340.533 3.251 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000122077713 152388522 /nfs/dbraw/zinc/38/85/22/152388522.db2.gz DDOJUBUHEUTDHQ-UHFFFAOYSA-N 2 0 339.549 3.330 20 0 EGADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(-c2ccnn2C)c1 ZINC000262053980 153772361 /nfs/dbraw/zinc/77/23/61/153772361.db2.gz ZWZGHKPLMVJVRG-FQEVSTJZSA-N 2 0 338.499 3.360 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000325627985 154180307 /nfs/dbraw/zinc/18/03/07/154180307.db2.gz USVDXDCHTYBZFL-UHFFFAOYSA-N 2 0 328.456 3.048 20 0 EGADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000337339239 154292033 /nfs/dbraw/zinc/29/20/33/154292033.db2.gz REIAKLYXJIEFEV-UHFFFAOYSA-N 2 0 335.511 3.452 20 0 EGADRP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000337347062 154297921 /nfs/dbraw/zinc/29/79/21/154297921.db2.gz XDWYFGPERWRORJ-HZPDHXFCSA-N 2 0 332.492 3.133 20 0 EGADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000337356498 154304185 /nfs/dbraw/zinc/30/41/85/154304185.db2.gz ARMIGOIQVMRMSI-DOTOQJQBSA-N 2 0 334.504 3.265 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000348849111 156260922 /nfs/dbraw/zinc/26/09/22/156260922.db2.gz QDLKHZBGLARRBL-UHFFFAOYSA-N 2 0 335.923 3.190 20 0 EGADRP CCOC1CC2(C1)CCN(Cc1nc3c(s1)C[N@@H+](C(C)C)CC3)C2 ZINC000348870523 156269077 /nfs/dbraw/zinc/26/90/77/156269077.db2.gz SXPKMXQAGZEZPE-UHFFFAOYSA-N 2 0 349.544 3.301 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)c(Cl)c1 ZINC000348919787 156287913 /nfs/dbraw/zinc/28/79/13/156287913.db2.gz HLYVEXRTGAXSHU-UHFFFAOYSA-N 2 0 329.891 3.185 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccsc1Cl ZINC000349064790 156340779 /nfs/dbraw/zinc/34/07/79/156340779.db2.gz WRMXACWESQIBEA-OAHLLOKOSA-N 2 0 329.941 3.249 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000349147932 156367323 /nfs/dbraw/zinc/36/73/23/156367323.db2.gz ZYOHPBKCFCWCQO-PMACEKPBSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089142455 161876858 /nfs/dbraw/zinc/87/68/58/161876858.db2.gz SFPZHISVELAIPQ-XNRPHZJLSA-N 2 0 325.294 3.487 20 0 EGADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000092746317 161979880 /nfs/dbraw/zinc/97/98/80/161979880.db2.gz LMYTVEPBPCXPOM-CYBMUJFWSA-N 2 0 325.522 3.023 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000105480557 162055617 /nfs/dbraw/zinc/05/56/17/162055617.db2.gz NOQXPUIUIQMQIO-APWZRJJASA-N 2 0 334.467 3.455 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C2CC2)C2CCC(C)CC2)CC1 ZINC000114455407 162233306 /nfs/dbraw/zinc/23/33/06/162233306.db2.gz SYIIMKDOSZBRHC-UHFFFAOYSA-N 2 0 335.536 3.019 20 0 EGADRP CCC(CC)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000123360550 162257159 /nfs/dbraw/zinc/25/71/59/162257159.db2.gz YYKDXUMQJMWRTL-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP Cc1csc(N2CCC([NH2+]C[C@@H](C)C[NH+]3CCCCC3)CC2)n1 ZINC000125584306 162279063 /nfs/dbraw/zinc/27/90/63/162279063.db2.gz PFCMLSPTVDRVQN-OAHLLOKOSA-N 2 0 336.549 3.132 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1F ZINC000248462467 163008081 /nfs/dbraw/zinc/00/80/81/163008081.db2.gz YIRFWSTWFKVHPS-RDTXWAMCSA-N 2 0 346.421 3.382 20 0 EGADRP C[N@H+](CCc1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1)C1CC1 ZINC000338810123 163354420 /nfs/dbraw/zinc/35/44/20/163354420.db2.gz AUZDVDTVJKCQKW-UHFFFAOYSA-N 2 0 341.499 3.136 20 0 EGADRP C[C@H](CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)OCc1ccccc1 ZINC000354727741 166018739 /nfs/dbraw/zinc/01/87/39/166018739.db2.gz HFORTDAZCYJCME-CWJKEVGVSA-N 2 0 346.515 3.165 20 0 EGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000343498565 163972665 /nfs/dbraw/zinc/97/26/65/163972665.db2.gz SAXWMWPEUBAGIT-HSALFYBXSA-N 2 0 345.531 3.099 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000343767873 164030210 /nfs/dbraw/zinc/03/02/10/164030210.db2.gz IAPMVIUQKMNWBE-QWFCFKBJSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)c3cccnc23)C[C@@H](C)O1 ZINC000343779819 164033363 /nfs/dbraw/zinc/03/33/63/164033363.db2.gz KZEWNSJNIQICQW-HZPDHXFCSA-N 2 0 345.462 3.353 20 0 EGADRP C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031856 164087517 /nfs/dbraw/zinc/08/75/17/164087517.db2.gz DCINZIQEFOVZQG-CQSZACIVSA-N 2 0 329.891 3.355 20 0 EGADRP Fc1ccccc1CNc1nc2ccccc2n1CCCn1ccnc1 ZINC000346346622 164372430 /nfs/dbraw/zinc/37/24/30/164372430.db2.gz LYVMUDXYMRZZCR-UHFFFAOYSA-N 2 0 349.413 3.496 20 0 EGADRP Cc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc2cccnc12 ZINC000349814531 164937870 /nfs/dbraw/zinc/93/78/70/164937870.db2.gz UCLCDRPJCVDEMT-UHFFFAOYSA-N 2 0 340.515 3.049 20 0 EGADRP C[N@@H+](Cc1cccc2c[nH]nc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350259669 165022442 /nfs/dbraw/zinc/02/24/42/165022442.db2.gz DRZORUQVUMUNQE-UHFFFAOYSA-N 2 0 335.455 3.306 20 0 EGADRP CCCc1nc(CN2CC[C@H](OCC[NH+](CC)CC)C2)cs1 ZINC000350257133 165022583 /nfs/dbraw/zinc/02/25/83/165022583.db2.gz SPMCLGKTDZQDEW-INIZCTEOSA-N 2 0 325.522 3.028 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000350919617 165082808 /nfs/dbraw/zinc/08/28/08/165082808.db2.gz OQUXKMGOWSRXGU-LJQANCHMSA-N 2 0 331.504 3.065 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1)CC(F)(F)F ZINC000351327386 165097223 /nfs/dbraw/zinc/09/72/23/165097223.db2.gz KVJXCJIHUGJDPJ-HOTGVXAUSA-N 2 0 335.458 3.067 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000352178400 165269364 /nfs/dbraw/zinc/26/93/64/165269364.db2.gz MPQSTPAASWOCRG-SJORKVTESA-N 2 0 335.492 3.008 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353435430 165770423 /nfs/dbraw/zinc/77/04/23/165770423.db2.gz AAULIXHCJJFYSB-RTBURBONSA-N 2 0 329.488 3.389 20 0 EGADRP C[NH+]1CCC(Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC000355835287 166323104 /nfs/dbraw/zinc/32/31/04/166323104.db2.gz AJVOTLJTADEPFT-UHFFFAOYSA-N 2 0 344.503 3.007 20 0 EGADRP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCCCCC1 ZINC000357820739 166783796 /nfs/dbraw/zinc/78/37/96/166783796.db2.gz FBRITYFXNFBIOR-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP COc1c(Br)cccc1CNCCC[NH+]1CCCCC1 ZINC000359079787 167060824 /nfs/dbraw/zinc/06/08/24/167060824.db2.gz NNYFXCXUIOKPPR-UHFFFAOYSA-N 2 0 341.293 3.423 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000359176576 167088681 /nfs/dbraw/zinc/08/86/81/167088681.db2.gz OKKZWSKUTMGBEZ-LPHOPBHVSA-N 2 0 331.504 3.017 20 0 EGADRP FC(F)(F)c1cccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000359191023 167091118 /nfs/dbraw/zinc/09/11/18/167091118.db2.gz NYFQSOYYGXAOPB-KRWDZBQOSA-N 2 0 342.405 3.468 20 0 EGADRP O=C(c1cc(F)ccc1F)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359211514 167096618 /nfs/dbraw/zinc/09/66/18/167096618.db2.gz CWWBKCZKVHYMJW-UHFFFAOYSA-N 2 0 336.426 3.249 20 0 EGADRP CC(C)(C)OC1CC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000359240976 167104333 /nfs/dbraw/zinc/10/43/33/167104333.db2.gz ZFTJSPZVTYVWGN-GPJFCIFZSA-N 2 0 346.515 3.079 20 0 EGADRP CCCCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000359536342 167183347 /nfs/dbraw/zinc/18/33/47/167183347.db2.gz KFEDJUHZTKNTJI-INIZCTEOSA-N 2 0 342.487 3.480 20 0 EGADRP CC[NH+](CC)CCCC1CCN(Cc2occc2C(=O)OC)CC1 ZINC000359865623 167252110 /nfs/dbraw/zinc/25/21/10/167252110.db2.gz AXUWXEQXHRFZSL-UHFFFAOYSA-N 2 0 336.476 3.400 20 0 EGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000360589474 167364726 /nfs/dbraw/zinc/36/47/26/167364726.db2.gz RSPGFWKHNCVPAB-QRVBRYPASA-N 2 0 344.547 3.002 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000365803051 168045046 /nfs/dbraw/zinc/04/50/46/168045046.db2.gz WOWDHEHGIWTVCH-JOCHJYFZSA-N 2 0 347.462 3.317 20 0 EGADRP CC[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000366951321 168160680 /nfs/dbraw/zinc/16/06/80/168160680.db2.gz IVVZQEISAWXYGF-PMACEKPBSA-N 2 0 326.488 3.373 20 0 EGADRP c1csc(N2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)n1 ZINC000367931214 168285621 /nfs/dbraw/zinc/28/56/21/168285621.db2.gz NAOPLXYSWDHQNS-UHFFFAOYSA-N 2 0 336.549 3.358 20 0 EGADRP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000165295849 226119063 /nfs/dbraw/zinc/11/90/63/226119063.db2.gz SJAGLPAOXLZZBI-GOSISDBHSA-N 2 0 347.522 3.154 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C[NH+]1CCCC1 ZINC000165326994 226122221 /nfs/dbraw/zinc/12/22/21/226122221.db2.gz SXFXRQNORKYESM-SJORKVTESA-N 2 0 329.488 3.196 20 0 EGADRP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000169127315 226233738 /nfs/dbraw/zinc/23/37/38/226233738.db2.gz UHFPFEITKHAIQR-UWJYYQICSA-N 2 0 342.483 3.185 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000124090206 222375530 /nfs/dbraw/zinc/37/55/30/222375530.db2.gz QOQVVJFNPHFCKV-HXUWFJFHSA-N 2 0 337.467 3.399 20 0 EGADRP Cc1ncc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000177490806 265258441 /nfs/dbraw/zinc/25/84/41/265258441.db2.gz JBVDNFXSWRDNJV-GASCZTMLSA-N 2 0 337.533 3.163 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000177523940 265261233 /nfs/dbraw/zinc/26/12/33/265261233.db2.gz JLDOIKZWNZBFRK-FHWLQOOXSA-N 2 0 331.504 3.059 20 0 EGADRP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000179426269 265377645 /nfs/dbraw/zinc/37/76/45/265377645.db2.gz RMWMNPGKCWVGLV-DOTOQJQBSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189797108 265795172 /nfs/dbraw/zinc/79/51/72/265795172.db2.gz RBNVIUSYNJRXOH-UHFFFAOYSA-N 2 0 346.384 3.254 20 0 EGADRP CC1(C)CCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000191845106 265936059 /nfs/dbraw/zinc/93/60/59/265936059.db2.gz RWCVVFIFUAOGGN-LJQANCHMSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H](CC[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000194576773 266129061 /nfs/dbraw/zinc/12/90/61/266129061.db2.gz QZQFHCHZFRZINN-KRWDZBQOSA-N 2 0 327.472 3.305 20 0 EGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[NH+](C)C ZINC000223973106 266197462 /nfs/dbraw/zinc/19/74/62/266197462.db2.gz GPCVVHFFNZXSSX-CVEARBPZSA-N 2 0 327.513 3.096 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000236625487 266208265 /nfs/dbraw/zinc/20/82/65/266208265.db2.gz XIADDBNOCCNSSI-UFYCRDLUSA-N 2 0 349.563 3.255 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250121761 266262174 /nfs/dbraw/zinc/26/21/74/266262174.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 2 0 329.532 3.359 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000271074704 266599445 /nfs/dbraw/zinc/59/94/45/266599445.db2.gz WNEKRKOZKATZOL-KRWDZBQOSA-N 2 0 326.431 3.052 20 0 EGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000271632210 266697761 /nfs/dbraw/zinc/69/77/61/266697761.db2.gz CYHMYNXZLMTMQX-MRXNPFEDSA-N 2 0 343.298 3.491 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273227798 267001061 /nfs/dbraw/zinc/00/10/61/267001061.db2.gz FHYWDGMRJWPSEW-APWZRJJASA-N 2 0 328.500 3.407 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000274824134 267292705 /nfs/dbraw/zinc/29/27/05/267292705.db2.gz XCQLCMWDZSYLBL-INIZCTEOSA-N 2 0 333.520 3.310 20 0 EGADRP Cc1ccncc1CCC[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000275243106 267335189 /nfs/dbraw/zinc/33/51/89/267335189.db2.gz NSOKWCUGUAVTIN-SFHVURJKSA-N 2 0 341.430 3.247 20 0 EGADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000275386810 267353478 /nfs/dbraw/zinc/35/34/78/267353478.db2.gz YDKLLKQTDAVPCZ-PCCBWWKXSA-N 2 0 330.516 3.221 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000155624593 273663301 /nfs/dbraw/zinc/66/33/01/273663301.db2.gz MEFCNSJDOXJIRM-OFQRWUPVSA-N 2 0 339.574 3.289 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095422259 275049875 /nfs/dbraw/zinc/04/98/75/275049875.db2.gz MQIZFJNWHJYANY-MJGOQNOKSA-N 2 0 344.499 3.259 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000305763055 275053050 /nfs/dbraw/zinc/05/30/50/275053050.db2.gz AAXATMBCSKOSLJ-FGTMMUONSA-N 2 0 334.529 3.483 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000042396302 275126386 /nfs/dbraw/zinc/12/63/86/275126386.db2.gz NKJXLZWXBUVHRJ-UHFFFAOYSA-N 2 0 341.293 3.102 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000177346163 275200962 /nfs/dbraw/zinc/20/09/62/275200962.db2.gz OHICFLZNAQQRHY-INIZCTEOSA-N 2 0 341.540 3.342 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000271895976 275239455 /nfs/dbraw/zinc/23/94/55/275239455.db2.gz FSEKNYNKVUUDLS-NYVOZVTQSA-N 2 0 336.479 3.099 20 0 EGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271919381 275241529 /nfs/dbraw/zinc/24/15/29/275241529.db2.gz ZUHPFKVQQKGJBW-CYBMUJFWSA-N 2 0 328.485 3.426 20 0 EGADRP Cc1cccc(CCC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000272625540 275244832 /nfs/dbraw/zinc/24/48/32/275244832.db2.gz ZBTBIXSAQZWQOD-UHFFFAOYSA-N 2 0 343.559 3.418 20 0 EGADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000279648865 275346722 /nfs/dbraw/zinc/34/67/22/275346722.db2.gz BQIIFEKJVVEPSQ-ZXNZYJFHSA-N 2 0 346.515 3.120 20 0 EGADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000279882475 275369928 /nfs/dbraw/zinc/36/99/28/275369928.db2.gz GFEXIWXMFWLCAT-INIZCTEOSA-N 2 0 333.545 3.060 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281529741 275556299 /nfs/dbraw/zinc/55/62/99/275556299.db2.gz IDNGGORMMCGFII-GBESFXJTSA-N 2 0 333.520 3.363 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000284308016 275790477 /nfs/dbraw/zinc/79/04/77/275790477.db2.gz LEPMSCBYIQGUMW-KCUHQSDYSA-N 2 0 334.504 3.134 20 0 EGADRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000128265743 276025224 /nfs/dbraw/zinc/02/52/24/276025224.db2.gz BRAXHEKXUCQNSH-HXUWFJFHSA-N 2 0 333.520 3.154 20 0 EGADRP COCCc1ccnc(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000287557774 276132914 /nfs/dbraw/zinc/13/29/14/276132914.db2.gz QAVAUXPLKKFWDN-INIZCTEOSA-N 2 0 343.471 3.384 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1F ZINC000288630759 276236042 /nfs/dbraw/zinc/23/60/42/276236042.db2.gz SQBCOBBVFPYALD-UHFFFAOYSA-N 2 0 331.435 3.149 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccco1 ZINC000078714792 276336475 /nfs/dbraw/zinc/33/64/75/276336475.db2.gz VHGQJHLZKYSVCO-SJORKVTESA-N 2 0 335.492 3.043 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccco1 ZINC000078714805 276340055 /nfs/dbraw/zinc/34/00/55/276340055.db2.gz VHGQJHLZKYSVCO-DLBZAZTESA-N 2 0 335.492 3.043 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CC(C)(C)c4ccccc43)C2)CC1 ZINC000370634376 277028449 /nfs/dbraw/zinc/02/84/49/277028449.db2.gz LJFLMBYRQOCXMM-UZLBHIALSA-N 2 0 327.516 3.167 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000252528034 278281017 /nfs/dbraw/zinc/28/10/17/278281017.db2.gz DYRJVBKATGPLBN-ZIFCJYIRSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000092587397 278430802 /nfs/dbraw/zinc/43/08/02/278430802.db2.gz VUGASHVRXWNJBM-HOTGVXAUSA-N 2 0 348.535 3.028 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000355548278 279154145 /nfs/dbraw/zinc/15/41/45/279154145.db2.gz QUGNPKBPACDTDZ-HBFSDRIKSA-N 2 0 345.531 3.449 20 0 EGADRP Cc1nn2c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c(C(C)C)nc2s1 ZINC000347034805 279216927 /nfs/dbraw/zinc/21/69/27/279216927.db2.gz CSVFCTZZKDPOFI-HNNXBMFYSA-N 2 0 347.532 3.187 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCNc3ccccc32)C[C@H](C)O1 ZINC000192767323 288160193 /nfs/dbraw/zinc/16/01/93/288160193.db2.gz BVJYENXRGCNXMQ-FUHIMQAGSA-N 2 0 331.504 3.412 20 0 EGADRP CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000359169471 280079334 /nfs/dbraw/zinc/07/93/34/280079334.db2.gz CFZDJJTWQLYSPB-QKLQHJQFSA-N 2 0 345.531 3.121 20 0 EGADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000353450636 281248089 /nfs/dbraw/zinc/24/80/89/281248089.db2.gz OVMREAANAXOPHZ-WOJBJXKFSA-N 2 0 343.515 3.067 20 0 EGADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357593687 281309157 /nfs/dbraw/zinc/30/91/57/281309157.db2.gz HWBJVONLNDBTJV-WMZOPIPTSA-N 2 0 325.456 3.151 20 0 EGADRP C[NH+](C)CC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC000339520206 289092908 /nfs/dbraw/zinc/09/29/08/289092908.db2.gz XMZSJTVNDUJPQP-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000374579137 290032742 /nfs/dbraw/zinc/03/27/42/290032742.db2.gz XDFLHWXYGYDFON-OBZTUIKSSA-N 2 0 346.515 3.481 20 0 EGADRP COc1cc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc(OC)c1OC ZINC000353463336 295022807 /nfs/dbraw/zinc/02/28/07/295022807.db2.gz QENPITYVDVOEKN-JEYLPNPQSA-N 2 0 336.476 3.236 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000353633047 295236579 /nfs/dbraw/zinc/23/65/79/295236579.db2.gz VQOBVVDYARSRQK-AWEZNQCLSA-N 2 0 338.517 3.182 20 0 EGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000056621299 307343947 /nfs/dbraw/zinc/34/39/47/307343947.db2.gz GYISEHRPXDCLST-IXDOHACOSA-N 2 0 346.519 3.236 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000079996489 307430500 /nfs/dbraw/zinc/43/05/00/307430500.db2.gz QJXSQKPNGGWMMC-UHFFFAOYSA-N 2 0 345.531 3.236 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000121393945 307518758 /nfs/dbraw/zinc/51/87/58/307518758.db2.gz WNLBXYBGCHPUMI-YJBOKZPZSA-N 2 0 335.511 3.367 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414075748 309059360 /nfs/dbraw/zinc/05/93/60/309059360.db2.gz XRVGTROYKXIKOF-GOSISDBHSA-N 2 0 333.520 3.072 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)CN1CC[NH+](C)CC1 ZINC000414083203 309059939 /nfs/dbraw/zinc/05/99/39/309059939.db2.gz WAHFMNJZHHJYNK-YVWKXTFCSA-N 2 0 349.950 3.449 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414115282 309061907 /nfs/dbraw/zinc/06/19/07/309061907.db2.gz MSFONYXWZZGUFL-SZVBFZGTSA-N 2 0 335.923 3.202 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000414170087 309064504 /nfs/dbraw/zinc/06/45/04/309064504.db2.gz BPNJSEODLUSDCB-DLBZAZTESA-N 2 0 329.488 3.196 20 0 EGADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000152590280 307756085 /nfs/dbraw/zinc/75/60/85/307756085.db2.gz NHTIQBJMAZLSTK-XLIONFOSSA-N 2 0 343.515 3.060 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154344692 307792725 /nfs/dbraw/zinc/79/27/25/307792725.db2.gz RXWHCWXQLUAVEI-OXQOHEQNSA-N 2 0 333.495 3.066 20 0 EGADRP Cc1cc2cc([C@@H](C)[NH2+]CCCN3CC[NH+](C)CC3)oc2cc1C ZINC000162496867 307913575 /nfs/dbraw/zinc/91/35/75/307913575.db2.gz MNSWLFDROQHISG-QGZVFWFLSA-N 2 0 329.488 3.338 20 0 EGADRP CCCC(CCC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336457 309073768 /nfs/dbraw/zinc/07/37/68/309073768.db2.gz ZJRKUCUTJZXKJE-UHFFFAOYSA-N 2 0 345.531 3.442 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248390026 308001669 /nfs/dbraw/zinc/00/16/69/308001669.db2.gz TUFHYFJKTZPSSK-SJORKVTESA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248386015 308001862 /nfs/dbraw/zinc/00/18/62/308001862.db2.gz KUUHJGDENSIKBI-YESZJQIVSA-N 2 0 339.524 3.238 20 0 EGADRP CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000248712098 308009723 /nfs/dbraw/zinc/00/97/23/308009723.db2.gz JMPVINRBURNLNK-UZLBHIALSA-N 2 0 329.488 3.389 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000249195432 308020937 /nfs/dbraw/zinc/02/09/37/308020937.db2.gz QHUITLFAAJMIOL-GIVPXCGWSA-N 2 0 329.532 3.112 20 0 EGADRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550225 308140935 /nfs/dbraw/zinc/14/09/35/308140935.db2.gz DYIJCFJPGIPWCP-KRWDZBQOSA-N 2 0 328.378 3.345 20 0 EGADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000293566189 308142464 /nfs/dbraw/zinc/14/24/64/308142464.db2.gz XTPROPQKUFASHD-QINHECLXSA-N 2 0 332.463 3.367 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(O)c2Cl)C[C@H](C)O1 ZINC000293676337 308151935 /nfs/dbraw/zinc/15/19/35/308151935.db2.gz VDPOLEAEMJLQBC-KBPBESRZSA-N 2 0 326.868 3.025 20 0 EGADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293911680 308173311 /nfs/dbraw/zinc/17/33/11/308173311.db2.gz WXRSEDJUQDNQFI-QAPCUYQASA-N 2 0 331.460 3.168 20 0 EGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N2CCCC2=O)cc1 ZINC000295130182 308295080 /nfs/dbraw/zinc/29/50/80/308295080.db2.gz YKCMQHWTHDMGFX-NMACRGETSA-N 2 0 327.472 3.089 20 0 EGADRP [NH3+]C1(c2noc([C@H]3CCn4c(cnc4C4CCCCC4)C3)n2)CCC1 ZINC000414628350 309092527 /nfs/dbraw/zinc/09/25/27/309092527.db2.gz NTCJYWJLQHFTKK-AWEZNQCLSA-N 2 0 341.459 3.382 20 0 EGADRP C[C@H](CC[NH3+])NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414717646 309097190 /nfs/dbraw/zinc/09/71/90/309097190.db2.gz UQQFVCHDBBDCFF-OAHLLOKOSA-N 2 0 332.492 3.310 20 0 EGADRP Fc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCC(F)(F)F ZINC000414766851 309099601 /nfs/dbraw/zinc/09/96/01/309099601.db2.gz ILVOSVDBKAPGGO-OKILXGFUSA-N 2 0 346.368 3.198 20 0 EGADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000414772218 309099876 /nfs/dbraw/zinc/09/98/76/309099876.db2.gz BKWDFIMBUYKBJG-ZWKOTPCHSA-N 2 0 325.456 3.472 20 0 EGADRP CCCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414773086 309099909 /nfs/dbraw/zinc/09/99/09/309099909.db2.gz CWQZMECIOQCCMJ-MSOLQXFVSA-N 2 0 332.488 3.306 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC12CCOCC2 ZINC000414782824 309100796 /nfs/dbraw/zinc/10/07/96/309100796.db2.gz PBJCLKLOLAEPSO-ZDUSSCGKSA-N 2 0 349.525 3.059 20 0 EGADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414787719 309101125 /nfs/dbraw/zinc/10/11/25/309101125.db2.gz VXLDJJKJICNICF-GJZGRUSLSA-N 2 0 340.414 3.118 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000414789290 309101429 /nfs/dbraw/zinc/10/14/29/309101429.db2.gz NTZJTPJPQFDZAV-CVEARBPZSA-N 2 0 349.525 3.200 20 0 EGADRP Cc1nn2c(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000414789230 309101509 /nfs/dbraw/zinc/10/15/09/309101509.db2.gz YDNBXEGCIGWQNY-HUUCEWRRSA-N 2 0 347.532 3.044 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000414791844 309101730 /nfs/dbraw/zinc/10/17/30/309101730.db2.gz RLEKCZJCJSSHCX-ZBFHGGJFSA-N 2 0 349.525 3.200 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414795305 309101884 /nfs/dbraw/zinc/10/18/84/309101884.db2.gz GNOZYXNZFXVHMF-KBXCAEBGSA-N 2 0 349.906 3.052 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414799591 309102326 /nfs/dbraw/zinc/10/23/26/309102326.db2.gz KDNUILOEXAMVLZ-OCCSQVGLSA-N 2 0 334.357 3.374 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301513271 308703242 /nfs/dbraw/zinc/70/32/42/308703242.db2.gz GGQDEHYZPCHMSK-SJORKVTESA-N 2 0 339.524 3.285 20 0 EGADRP CC1CC[NH+](Cc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)CC1 ZINC000302047024 308726841 /nfs/dbraw/zinc/72/68/41/308726841.db2.gz VHYYXKXXBMZMRQ-UHFFFAOYSA-N 2 0 338.455 3.025 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000326511442 308770951 /nfs/dbraw/zinc/77/09/51/308770951.db2.gz AOJHJFNPRHZBKG-GBESFXJTSA-N 2 0 331.504 3.093 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414846327 309105208 /nfs/dbraw/zinc/10/52/08/309105208.db2.gz GVOXWISDTZUUGJ-CYBMUJFWSA-N 2 0 326.868 3.227 20 0 EGADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414848084 309105257 /nfs/dbraw/zinc/10/52/57/309105257.db2.gz WRLIQQSFKIQZLV-OLZOCXBDSA-N 2 0 343.284 3.499 20 0 EGADRP CC(CC[NH2+][C@H](C)C1CCOCC1)CC[NH2+][C@H](C)C1CCOCC1 ZINC000411471537 308940604 /nfs/dbraw/zinc/94/06/04/308940604.db2.gz LDQDHAAQNQLHJN-QZTJIDSGSA-N 2 0 340.552 3.212 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414847794 309105398 /nfs/dbraw/zinc/10/53/98/309105398.db2.gz JPJPRXHNUPVTAM-IBGZPJMESA-N 2 0 340.515 3.336 20 0 EGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414854534 309105740 /nfs/dbraw/zinc/10/57/40/309105740.db2.gz VDMJMTPEISMTFP-HNNXBMFYSA-N 2 0 327.476 3.005 20 0 EGADRP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414873412 309106531 /nfs/dbraw/zinc/10/65/31/309106531.db2.gz HFUXRMSXVDTDQV-AWEZNQCLSA-N 2 0 332.419 3.098 20 0 EGADRP CCC[NH2+]CCNCc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000414872798 309106558 /nfs/dbraw/zinc/10/65/58/309106558.db2.gz QGVGUBJFEDMHQP-UHFFFAOYSA-N 2 0 334.895 3.291 20 0 EGADRP C[C@@]1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[NH2+]C1 ZINC000414896462 309107991 /nfs/dbraw/zinc/10/79/91/309107991.db2.gz BXEHIJJAJDDDRG-HXUWFJFHSA-N 2 0 325.456 3.140 20 0 EGADRP Cn1c(C[NH2+]CC2(C)CC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000414908505 309108651 /nfs/dbraw/zinc/10/86/51/309108651.db2.gz RAHBUHBUPURPRF-UHFFFAOYSA-N 2 0 340.393 3.071 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(Cl)c1 ZINC000414915627 309109060 /nfs/dbraw/zinc/10/90/60/309109060.db2.gz ZYMOKUMCLZSEHP-AWEZNQCLSA-N 2 0 337.895 3.345 20 0 EGADRP COCC1(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC[NH2+]CC1 ZINC000414957063 309111439 /nfs/dbraw/zinc/11/14/39/309111439.db2.gz PKFYQWXZXRUWCH-UHFFFAOYSA-N 2 0 349.475 3.055 20 0 EGADRP COCC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)CC[NH2+]CC1 ZINC000414979347 309112703 /nfs/dbraw/zinc/11/27/03/309112703.db2.gz URGFNXQDKRBMHX-UHFFFAOYSA-N 2 0 330.394 3.120 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000414996681 309113380 /nfs/dbraw/zinc/11/33/80/309113380.db2.gz GQRZWYHFWBZHDI-LPHOPBHVSA-N 2 0 325.456 3.268 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000415003278 309113836 /nfs/dbraw/zinc/11/38/36/309113836.db2.gz WWOVEMRKLIDUPQ-SJLPKXTDSA-N 2 0 325.456 3.268 20 0 EGADRP Clc1ccccc1CN1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415015068 309114391 /nfs/dbraw/zinc/11/43/91/309114391.db2.gz XZMCSBHIFSERIY-AZUAARDMSA-N 2 0 347.934 3.282 20 0 EGADRP CCn1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1C ZINC000415014469 309114411 /nfs/dbraw/zinc/11/44/11/309114411.db2.gz ZSNIMNGFWPXKGT-PKOBYXMFSA-N 2 0 344.478 3.142 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1OCc1ccccc1 ZINC000415018495 309114605 /nfs/dbraw/zinc/11/46/05/309114605.db2.gz GTXYIJJVXQCOHJ-INIZCTEOSA-N 2 0 328.456 3.491 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(C)c1 ZINC000415024671 309114982 /nfs/dbraw/zinc/11/49/82/309114982.db2.gz NYKJMSOEBYQXPL-BZSNNMDCSA-N 2 0 331.504 3.375 20 0 EGADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415029441 309115324 /nfs/dbraw/zinc/11/53/24/309115324.db2.gz BBXOYRVVNIGSHT-AABGKKOBSA-N 2 0 332.488 3.078 20 0 EGADRP Clc1ccc(CCCC[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000415039419 309115859 /nfs/dbraw/zinc/11/58/59/309115859.db2.gz MXWAPPBSLNOBIT-CQSZACIVSA-N 2 0 331.287 3.284 20 0 EGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415046338 309116279 /nfs/dbraw/zinc/11/62/79/309116279.db2.gz UZRNVNBXRBUNRD-WXHSDQCUSA-N 2 0 329.257 3.236 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415084159 309119188 /nfs/dbraw/zinc/11/91/88/309119188.db2.gz OGRJBOFJKJOYTH-OUCADQQQSA-N 2 0 343.284 3.497 20 0 EGADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415085196 309119416 /nfs/dbraw/zinc/11/94/16/309119416.db2.gz QMJVNINRPUGSDN-UMSONDCASA-N 2 0 342.531 3.117 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415091396 309119638 /nfs/dbraw/zinc/11/96/38/309119638.db2.gz ZBGFZDSWIQKZBR-YPMHNXCESA-N 2 0 329.257 3.251 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000415110562 309120962 /nfs/dbraw/zinc/12/09/62/309120962.db2.gz POCPEVLXBARSAI-UIHZJKCDSA-N 2 0 336.426 3.196 20 0 EGADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415123413 309121821 /nfs/dbraw/zinc/12/18/21/309121821.db2.gz JLALHMGETGJZDK-WMZOPIPTSA-N 2 0 338.879 3.067 20 0 EGADRP CC[C@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)Oc1ccccc1C(F)(F)F ZINC000415124661 309122011 /nfs/dbraw/zinc/12/20/11/309122011.db2.gz RDGSYAVPKLJVDF-CJNGLKHVSA-N 2 0 330.394 3.452 20 0 EGADRP Cc1cccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000415124939 309122019 /nfs/dbraw/zinc/12/20/19/309122019.db2.gz DBWFFNRNWGDGGJ-UHFFFAOYSA-N 2 0 337.511 3.387 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000415126845 309122452 /nfs/dbraw/zinc/12/24/52/309122452.db2.gz MLOGIUKKJCJGGX-QFBILLFUSA-N 2 0 325.456 3.077 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000415132834 309122871 /nfs/dbraw/zinc/12/28/71/309122871.db2.gz URALULKFWGGXPM-SJLPKXTDSA-N 2 0 325.456 3.077 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000415912025 309147966 /nfs/dbraw/zinc/14/79/66/309147966.db2.gz FXVMVOXMQWXJCZ-UHFFFAOYSA-N 2 0 332.492 3.040 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000415914804 309148305 /nfs/dbraw/zinc/14/83/05/309148305.db2.gz BYMXVZNUHKECAT-UHFFFAOYSA-N 2 0 344.503 3.134 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000415930776 309149497 /nfs/dbraw/zinc/14/94/97/309149497.db2.gz KWZMEYKOYMGSMA-GOSISDBHSA-N 2 0 346.519 3.428 20 0 EGADRP CC[NH2+]Cc1cccc(NC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000415938402 309150057 /nfs/dbraw/zinc/15/00/57/309150057.db2.gz YAPVDBJLHPIRQU-UHFFFAOYSA-N 2 0 332.492 3.040 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000415973928 309152133 /nfs/dbraw/zinc/15/21/33/309152133.db2.gz PSEPNUWPKJXYNI-UHFFFAOYSA-N 2 0 346.519 3.286 20 0 EGADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417176257 309196317 /nfs/dbraw/zinc/19/63/17/309196317.db2.gz KGHXRAMFWTWNHV-SFHVURJKSA-N 2 0 346.519 3.029 20 0 EGADRP CCCC[NH+]1CCC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417389394 309204035 /nfs/dbraw/zinc/20/40/35/309204035.db2.gz JBCVZXALAWLLHL-LJQANCHMSA-N 2 0 346.519 3.030 20 0 EGADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000417698165 309218570 /nfs/dbraw/zinc/21/85/70/309218570.db2.gz FTWXCVMQNMWNEU-WMZOPIPTSA-N 2 0 348.535 3.131 20 0 EGADRP C[N@H+](CCOCC1CCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419225505 309261713 /nfs/dbraw/zinc/26/17/13/309261713.db2.gz HFJJVKQZROKBRF-UHFFFAOYSA-N 2 0 331.504 3.437 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2cc1OCC ZINC000420261098 309278362 /nfs/dbraw/zinc/27/83/62/309278362.db2.gz OQVKDQCBPRGTJQ-HUUCEWRRSA-N 2 0 341.455 3.078 20 0 EGADRP CCOc1cc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c2cc1OCC ZINC000420261097 309278365 /nfs/dbraw/zinc/27/83/65/309278365.db2.gz OQVKDQCBPRGTJQ-GJZGRUSLSA-N 2 0 341.455 3.078 20 0 EGADRP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420304310 309280760 /nfs/dbraw/zinc/28/07/60/309280760.db2.gz IOEJVPXNYBHJDQ-ZFWWWQNUSA-N 2 0 330.863 3.275 20 0 EGADRP [NH3+]CC[C@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000420307376 309280814 /nfs/dbraw/zinc/28/08/14/309280814.db2.gz IITXYAAMYXUUQL-GFCCVEGCSA-N 2 0 345.256 3.028 20 0 EGADRP CC(C)OC(=O)CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420309566 309281059 /nfs/dbraw/zinc/28/10/59/309281059.db2.gz LQMNBRQEBSPOCM-MRXNPFEDSA-N 2 0 336.501 3.034 20 0 EGADRP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321223 309282027 /nfs/dbraw/zinc/28/20/27/309282027.db2.gz CNZLNWIBAPQNGP-KBAYOESNSA-N 2 0 340.471 3.043 20 0 EGADRP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420320296 309282069 /nfs/dbraw/zinc/28/20/69/309282069.db2.gz BDDNEHGBNOVWAN-DLBZAZTESA-N 2 0 341.455 3.172 20 0 EGADRP COc1cccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420323424 309282358 /nfs/dbraw/zinc/28/23/58/309282358.db2.gz UGCZVZPRTIBEGG-XLIONFOSSA-N 2 0 332.488 3.066 20 0 EGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333062 309282789 /nfs/dbraw/zinc/28/27/89/309282789.db2.gz DZRJPABEGAOJSZ-CXAGYDPISA-N 2 0 335.879 3.131 20 0 EGADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333132 309282859 /nfs/dbraw/zinc/28/28/59/309282859.db2.gz SLRAPOJYYUOGAM-DZGCQCFKSA-N 2 0 340.414 3.036 20 0 EGADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420338237 309283315 /nfs/dbraw/zinc/28/33/15/309283315.db2.gz KMBFWUBZEVYOLT-QKLQHJQFSA-N 2 0 343.515 3.025 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420347011 309283646 /nfs/dbraw/zinc/28/36/46/309283646.db2.gz ZTMNTRXHZBAXPM-KBXCAEBGSA-N 2 0 349.906 3.439 20 0 EGADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420360848 309284165 /nfs/dbraw/zinc/28/41/65/309284165.db2.gz LNVQETOXBWXXBA-IBGZPJMESA-N 2 0 337.467 3.417 20 0 EGADRP Cc1ccc(-c2noc(CCC[NH2+][C@@H]3CC[NH2+]CC3(C)C)n2)cc1F ZINC000420372019 309284900 /nfs/dbraw/zinc/28/49/00/309284900.db2.gz XMKWKMHOALRINA-MRXNPFEDSA-N 2 0 346.450 3.094 20 0 EGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000420374951 309285175 /nfs/dbraw/zinc/28/51/75/309285175.db2.gz IELALAVYQOLTME-FXAWDEMLSA-N 2 0 341.455 3.060 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000420380496 309285416 /nfs/dbraw/zinc/28/54/16/309285416.db2.gz BYJAMBZFMXDRFI-WMLDXEAASA-N 2 0 335.879 3.133 20 0 EGADRP CC[C@H](NCc1cccc(CN2CCOCC2)c1)c1nccs1 ZINC000420933321 309302161 /nfs/dbraw/zinc/30/21/61/309302161.db2.gz HWZPQWCZCCDJFS-KRWDZBQOSA-N 2 0 331.485 3.216 20 0 EGADRP c1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc(C2CC2)c1 ZINC000421323561 309318495 /nfs/dbraw/zinc/31/84/95/309318495.db2.gz WKXGTMFKLVBBLT-UHFFFAOYSA-N 2 0 328.500 3.498 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000421369514 309321055 /nfs/dbraw/zinc/32/10/55/309321055.db2.gz HUOMDNNRHKQALN-UHFFFAOYSA-N 2 0 347.522 3.295 20 0 EGADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000421402814 309323263 /nfs/dbraw/zinc/32/32/63/309323263.db2.gz MXPWFDFOQAKSBB-ZIFCJYIRSA-N 2 0 338.536 3.203 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421820712 309341541 /nfs/dbraw/zinc/34/15/41/309341541.db2.gz NLRDJFCEYWFUQT-CABCVRRESA-N 2 0 339.911 3.025 20 0 EGADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000421835032 309342551 /nfs/dbraw/zinc/34/25/51/309342551.db2.gz PILLMGCJEITKBP-HOCLYGCPSA-N 2 0 340.895 3.236 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000422560167 309361677 /nfs/dbraw/zinc/36/16/77/309361677.db2.gz FYNVZCMERSQKAF-ZIFCJYIRSA-N 2 0 339.483 3.466 20 0 EGADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000422561449 309361681 /nfs/dbraw/zinc/36/16/81/309361681.db2.gz LGMLVVGSWUPQKJ-ZHALLVOQSA-N 2 0 339.483 3.466 20 0 EGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000422641856 309363085 /nfs/dbraw/zinc/36/30/85/309363085.db2.gz YMZCEYFOZBFFNM-FRRDWIJNSA-N 2 0 341.858 3.113 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccccc2Cl)CC[NH2+]CC1 ZINC000422693903 309363438 /nfs/dbraw/zinc/36/34/38/309363438.db2.gz MXVVMLWQTNCKRS-UONOGXRCSA-N 2 0 338.879 3.312 20 0 EGADRP Clc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422698730 309363627 /nfs/dbraw/zinc/36/36/27/309363627.db2.gz ATDLEFNJNDINFC-OKZBNKHCSA-N 2 0 334.891 3.118 20 0 EGADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422719518 309364971 /nfs/dbraw/zinc/36/49/71/309364971.db2.gz YJJVUEMSIAVUKO-AWEZNQCLSA-N 2 0 343.437 3.387 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422728738 309365431 /nfs/dbraw/zinc/36/54/31/309365431.db2.gz GVWFDPYYYOEZFQ-DQLDELGASA-N 2 0 340.467 3.108 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422728579 309365475 /nfs/dbraw/zinc/36/54/75/309365475.db2.gz JKRLVKUJPSDCBG-CABCVRRESA-N 2 0 326.444 3.112 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422736971 309366146 /nfs/dbraw/zinc/36/61/46/309366146.db2.gz WSJJRTLHEICLJR-FBBABVLZSA-N 3 0 345.531 3.342 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCCN(C)c1ccccc1 ZINC000422744391 309366206 /nfs/dbraw/zinc/36/62/06/309366206.db2.gz VYGKUUBGXYSZJF-INIZCTEOSA-N 2 0 326.488 3.416 20 0 EGADRP CC1CC[NH+]([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)c2cccs2)CC1 ZINC000422747364 309366220 /nfs/dbraw/zinc/36/62/20/309366220.db2.gz PYZOIUCBIJAUJU-OKZBNKHCSA-N 2 0 335.561 3.499 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)[C@H](C)C1 ZINC000422746372 309366302 /nfs/dbraw/zinc/36/63/02/309366302.db2.gz NTSRSXDQFNSSIK-WTGUMLROSA-N 2 0 339.568 3.024 20 0 EGADRP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422744365 309366357 /nfs/dbraw/zinc/36/63/57/309366357.db2.gz VXNBITYPWWQCNM-IAOVAPTHSA-N 2 0 343.298 3.283 20 0 EGADRP Fc1cc(Br)ccc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422753549 309366724 /nfs/dbraw/zinc/36/67/24/309366724.db2.gz DZKLDUUXQMDTFF-YIONKMFJSA-N 2 0 341.268 3.393 20 0 EGADRP CCC[C@@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccc1 ZINC000422755731 309366803 /nfs/dbraw/zinc/36/68/03/309366803.db2.gz GEHDYHSRWBPULU-FUHWJXTLSA-N 2 0 332.488 3.439 20 0 EGADRP c1ccc(NCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422756136 309366872 /nfs/dbraw/zinc/36/68/72/309366872.db2.gz LIGZNQZUAXRJRK-PZJWPPBQSA-N 2 0 337.467 3.334 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422758765 309366996 /nfs/dbraw/zinc/36/69/96/309366996.db2.gz KRNOYFPOTXZGSS-CRAIPNDOSA-N 2 0 336.907 3.366 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccccc2C[NH+](C)C)cc1 ZINC000422798657 309369027 /nfs/dbraw/zinc/36/90/27/309369027.db2.gz SHQMFCKTOCIGCS-HXUWFJFHSA-N 2 0 339.483 3.301 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000422798294 309369074 /nfs/dbraw/zinc/36/90/74/309369074.db2.gz QNIQDCNZNMXKIC-XJKCOSOUSA-N 2 0 341.293 3.324 20 0 EGADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000422799843 309369097 /nfs/dbraw/zinc/36/90/97/309369097.db2.gz YVIWUVCVVKXPMR-KUHUBIRLSA-N 2 0 325.456 3.260 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000422802017 309369310 /nfs/dbraw/zinc/36/93/10/309369310.db2.gz GPBZOZIXTBZKKH-YJBOKZPZSA-N 2 0 330.472 3.049 20 0 EGADRP Fc1cc(F)cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422804684 309369360 /nfs/dbraw/zinc/36/93/60/309369360.db2.gz KVZLSYQRJKLMFO-HKUYNNGSSA-N 2 0 330.378 3.310 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1OCC(F)(F)F ZINC000422823955 309370320 /nfs/dbraw/zinc/37/03/20/309370320.db2.gz FPNCNXICRZKNCD-TZMCWYRMSA-N 2 0 346.393 3.114 20 0 EGADRP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832762 309371025 /nfs/dbraw/zinc/37/10/25/309371025.db2.gz FYBLMLSKEPWGLR-GSEOLPGOSA-N 2 0 347.572 3.470 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)CCCC[NH3+])CC1)c1ccccc1 ZINC000422840975 309371399 /nfs/dbraw/zinc/37/13/99/309371399.db2.gz CLIKYWMMPSSHDJ-YLJYHZDGSA-N 2 0 345.531 3.278 20 0 EGADRP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422842566 309371515 /nfs/dbraw/zinc/37/15/15/309371515.db2.gz FYHSKXYOTULMLM-LLLHUVSDSA-N 2 0 336.476 3.109 20 0 EGADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422855582 309372283 /nfs/dbraw/zinc/37/22/83/309372283.db2.gz CMXUVJFBNBFUCI-PCCBWWKXSA-N 2 0 346.515 3.011 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422861248 309372569 /nfs/dbraw/zinc/37/25/69/309372569.db2.gz NRVNKOKTIBGQKP-YSSFQJQWSA-N 2 0 326.440 3.321 20 0 EGADRP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422871352 309373033 /nfs/dbraw/zinc/37/30/33/309373033.db2.gz ZXCQVMPGRBVCQB-SLFFLAALSA-N 2 0 332.488 3.112 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]1 ZINC000422874774 309373300 /nfs/dbraw/zinc/37/33/00/309373300.db2.gz BCOQCUJGJJOKDB-BEFAXECRSA-N 3 0 335.923 3.282 20 0 EGADRP CCOc1ccc(C2(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])CCOCC2)cc1 ZINC000422879254 309373678 /nfs/dbraw/zinc/37/36/78/309373678.db2.gz LYPXKVDEHGRLLL-PXNSSMCTSA-N 2 0 346.515 3.241 20 0 EGADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000422885992 309374050 /nfs/dbraw/zinc/37/40/50/309374050.db2.gz ZVYWGMNTXUBWEY-OKYOBFRVSA-N 2 0 331.504 3.235 20 0 EGADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422887773 309374194 /nfs/dbraw/zinc/37/41/94/309374194.db2.gz ZJSUUSCBISRKLD-VQCLRJIVSA-N 2 0 330.476 3.139 20 0 EGADRP C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887468 309374298 /nfs/dbraw/zinc/37/42/98/309374298.db2.gz YTVFZFAWTNXVLH-KXBFYZLASA-N 2 0 341.524 3.045 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422890290 309374428 /nfs/dbraw/zinc/37/44/28/309374428.db2.gz IBHWDUJHXHEUQP-HKUYNNGSSA-N 2 0 333.520 3.027 20 0 EGADRP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422888859 309374439 /nfs/dbraw/zinc/37/44/39/309374439.db2.gz OEUNPLGBUHMRGI-MTQWCTHYSA-N 2 0 347.547 3.068 20 0 EGADRP COCCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422890162 309374457 /nfs/dbraw/zinc/37/44/57/309374457.db2.gz RKQYYKAFAXXDDO-NQIIRXRSSA-N 2 0 344.499 3.429 20 0 EGADRP COc1ccc(C[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccccc2)cc1OC ZINC000422910906 309375852 /nfs/dbraw/zinc/37/58/52/309375852.db2.gz RUVHVJMRJCJYLY-KXBFYZLASA-N 2 0 340.467 3.185 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422909731 309375916 /nfs/dbraw/zinc/37/59/16/309375916.db2.gz OXEBRQPWJSUFQH-BCLQGDPASA-N 2 0 337.895 3.034 20 0 EGADRP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422917033 309375999 /nfs/dbraw/zinc/37/59/99/309375999.db2.gz FHTOMIIYDGBDQG-UWVAXJGDSA-N 2 0 331.504 3.240 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422930958 309376606 /nfs/dbraw/zinc/37/66/06/309376606.db2.gz AGLJNURBGYOXPD-SWLSCSKDSA-N 2 0 329.257 3.238 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422930957 309376627 /nfs/dbraw/zinc/37/66/27/309376627.db2.gz AGLJNURBGYOXPD-IUODEOHRSA-N 2 0 329.257 3.238 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422963639 309378432 /nfs/dbraw/zinc/37/84/32/309378432.db2.gz JGMNHNOEFIXFBM-OXQOHEQNSA-N 2 0 326.488 3.091 20 0 EGADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(OC2CCCC2)n1 ZINC000422968409 309378741 /nfs/dbraw/zinc/37/87/41/309378741.db2.gz WTNHXNNJCQYBNP-GBESFXJTSA-N 2 0 329.488 3.413 20 0 EGADRP CC[C@@H]([NH2+]CCCc1cn(-c2ccccc2)nc1C)[C@@H]1CCC[NH2+]1 ZINC000422965256 309378792 /nfs/dbraw/zinc/37/87/92/309378792.db2.gz OEQGVAGBXFCGTI-UXHICEINSA-N 2 0 326.488 3.234 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422973416 309379071 /nfs/dbraw/zinc/37/90/71/309379071.db2.gz OMGLQMDADHTWRQ-RTBURBONSA-N 2 0 325.456 3.268 20 0 EGADRP CSc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000422986945 309379586 /nfs/dbraw/zinc/37/95/86/309379586.db2.gz HPJXVCRKMHFMKT-LPHOPBHVSA-N 2 0 341.480 3.149 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000423005990 309380666 /nfs/dbraw/zinc/38/06/66/309380666.db2.gz TZODSXTVGKHUQT-PMXSJFBMSA-N 3 0 329.532 3.394 20 0 EGADRP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423012594 309380928 /nfs/dbraw/zinc/38/09/28/309380928.db2.gz LDDKJEPBIMDJRL-QFHJOOASSA-N 2 0 331.479 3.305 20 0 EGADRP COc1ccc(OC)c(CCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423014644 309381072 /nfs/dbraw/zinc/38/10/72/309381072.db2.gz PKAQKDFULYVZPT-MOPGFXCFSA-N 2 0 326.440 3.371 20 0 EGADRP [NH3+]C1CCC([NH2+]CCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000423032904 309382089 /nfs/dbraw/zinc/38/20/89/309382089.db2.gz NMOJWPIXEUGQFB-UHFFFAOYSA-N 2 0 336.277 3.332 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2c(C)cccc2C)CC[NH2+]CC1 ZINC000423032468 309382107 /nfs/dbraw/zinc/38/21/07/309382107.db2.gz FKCUSULYDCJURW-SJORKVTESA-N 2 0 332.488 3.275 20 0 EGADRP C[C@H](CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCCCC1 ZINC000423035677 309382204 /nfs/dbraw/zinc/38/22/04/309382204.db2.gz SGOKMHWKXVSHCZ-SLYNCCJLSA-N 2 0 343.515 3.096 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423034726 309382257 /nfs/dbraw/zinc/38/22/57/309382257.db2.gz QKNJWZQQVYYIHX-QQTQMKHKSA-N 2 0 330.472 3.037 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423038379 309382360 /nfs/dbraw/zinc/38/23/60/309382360.db2.gz YONUWMYNRJLPBU-IUODEOHRSA-N 2 0 341.293 3.120 20 0 EGADRP CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423072608 309384450 /nfs/dbraw/zinc/38/44/50/309384450.db2.gz PUZGHRSNOXAFGM-VAMGGRTRSA-N 2 0 332.488 3.031 20 0 EGADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423081396 309384934 /nfs/dbraw/zinc/38/49/34/309384934.db2.gz BOMONRAYDHGVKP-UZLBHIALSA-N 2 0 340.515 3.475 20 0 EGADRP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@@H](C)C3C[NH2+]C3)c2)c1 ZINC000423102108 309385892 /nfs/dbraw/zinc/38/58/92/309385892.db2.gz JRZKOLQIHOZXMR-AWEZNQCLSA-N 2 0 342.439 3.194 20 0 EGADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423098869 309385913 /nfs/dbraw/zinc/38/59/13/309385913.db2.gz SSTMLZOCVICWPY-WSIUPNEHSA-N 2 0 334.891 3.333 20 0 EGADRP COCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423107990 309386220 /nfs/dbraw/zinc/38/62/20/309386220.db2.gz QJNCGQPEEHCAMA-SLFFLAALSA-N 2 0 332.488 3.112 20 0 EGADRP COCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423107993 309386321 /nfs/dbraw/zinc/38/63/21/309386321.db2.gz QJNCGQPEEHCAMA-XUVXKRRUSA-N 2 0 332.488 3.112 20 0 EGADRP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423138665 309388030 /nfs/dbraw/zinc/38/80/30/309388030.db2.gz JSJKPUNKCIJZGH-UKBAYJJMSA-N 2 0 331.479 3.162 20 0 EGADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423146495 309388360 /nfs/dbraw/zinc/38/83/60/309388360.db2.gz POQNDMBDSJCNOT-BXUZGUMPSA-N 2 0 331.685 3.362 20 0 EGADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CCO2)nc1 ZINC000423161378 309388895 /nfs/dbraw/zinc/38/88/95/309388895.db2.gz NQGJKRKRCIKIJZ-BFMVXSJESA-N 2 0 329.488 3.202 20 0 EGADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CCO2)nc1 ZINC000423161380 309388909 /nfs/dbraw/zinc/38/89/09/309388909.db2.gz NQGJKRKRCIKIJZ-KWXDATOUSA-N 2 0 329.488 3.202 20 0 EGADRP Cc1ccc(C)c([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423192521 309389934 /nfs/dbraw/zinc/38/99/34/309389934.db2.gz VQIJFOBKWBAINK-JOCHJYFZSA-N 2 0 337.511 3.278 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423202324 309390357 /nfs/dbraw/zinc/39/03/57/309390357.db2.gz AQZGSJIQLICYIB-MBDNFAEBSA-N 2 0 341.543 3.266 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423212950 309390740 /nfs/dbraw/zinc/39/07/40/309390740.db2.gz JHVYXJDHGQUXKU-UXLLHSPISA-N 2 0 332.492 3.255 20 0 EGADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249324 309392173 /nfs/dbraw/zinc/39/21/73/309392173.db2.gz OQMLNCYDLVBSHH-IUODEOHRSA-N 2 0 339.277 3.252 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423283071 309394014 /nfs/dbraw/zinc/39/40/14/309394014.db2.gz XAIBZFJOFHYRGX-GJZGRUSLSA-N 2 0 334.460 3.121 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000423285576 309394119 /nfs/dbraw/zinc/39/41/19/309394119.db2.gz ZJLQFLYYJSIHBT-IACUBPJLSA-N 2 0 328.403 3.465 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423313595 309394866 /nfs/dbraw/zinc/39/48/66/309394866.db2.gz WZLHLPRYBOSWFM-NVXWUHKLSA-N 2 0 345.512 3.193 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Br ZINC000423321996 309395173 /nfs/dbraw/zinc/39/51/73/309395173.db2.gz GSRLGYHTWCFPNR-GFCCVEGCSA-N 2 0 341.293 3.498 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423330975 309395528 /nfs/dbraw/zinc/39/55/28/309395528.db2.gz OAPJKDATFNOWNT-LMMKCTJWSA-N 2 0 337.552 3.158 20 0 EGADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OCc2nccn2C)cc1 ZINC000423335862 309395651 /nfs/dbraw/zinc/39/56/51/309395651.db2.gz SFLOAFDVVKLDTA-OXQOHEQNSA-N 2 0 342.487 3.039 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(Br)c1 ZINC000423344315 309396122 /nfs/dbraw/zinc/39/61/22/309396122.db2.gz XPZCGASJXNZJRN-GFCCVEGCSA-N 2 0 341.293 3.498 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Br ZINC000423344271 309396154 /nfs/dbraw/zinc/39/61/54/309396154.db2.gz XMKCZMNYHCCEML-MLGOLLRUSA-N 2 0 341.293 3.498 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423345536 309396346 /nfs/dbraw/zinc/39/63/46/309396346.db2.gz XPUREZLUWMSOKC-HXUWFJFHSA-N 2 0 345.531 3.441 20 0 EGADRP Cc1c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000423347425 309396420 /nfs/dbraw/zinc/39/64/20/309396420.db2.gz QKXLTSQIOIRFSU-ZDUSSCGKSA-N 2 0 330.863 3.404 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423349848 309396644 /nfs/dbraw/zinc/39/66/44/309396644.db2.gz XXADVZKBHQWZMX-HNNXBMFYSA-N 2 0 325.225 3.085 20 0 EGADRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000423375698 309397722 /nfs/dbraw/zinc/39/77/22/309397722.db2.gz DDKCWRZUKBAJTA-GJZGRUSLSA-N 2 0 349.828 3.217 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423375053 309397785 /nfs/dbraw/zinc/39/77/85/309397785.db2.gz IQDGIUOKYQPCGN-BEFAXECRSA-N 2 0 330.472 3.282 20 0 EGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000423384943 309397976 /nfs/dbraw/zinc/39/79/76/309397976.db2.gz LDYMNMCDXAGNPU-IIBYNOLFSA-N 2 0 327.516 3.423 20 0 EGADRP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423384181 309397986 /nfs/dbraw/zinc/39/79/86/309397986.db2.gz JYIHJWCYIVGVRC-YSIASYRMSA-N 2 0 329.532 3.265 20 0 EGADRP CC(C)CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccoc1 ZINC000423387598 309398151 /nfs/dbraw/zinc/39/81/51/309398151.db2.gz MFJHXNXTBLIINB-JKSUJKDBSA-N 2 0 347.425 3.183 20 0 EGADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)s1 ZINC000423392404 309398295 /nfs/dbraw/zinc/39/82/95/309398295.db2.gz QBPUFLOHTBHDFK-LBPRGKRZSA-N 2 0 331.485 3.094 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC[NH2+]CC1 ZINC000423412357 309399055 /nfs/dbraw/zinc/39/90/55/309399055.db2.gz WRKSQFRGQQOCKI-CQSZACIVSA-N 2 0 338.517 3.084 20 0 EGADRP Fc1ccc([C@@H](C[C@H]2CCCO2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423420221 309399757 /nfs/dbraw/zinc/39/97/57/309399757.db2.gz AGTPNWPJYAFSOT-IYWMVGAKSA-N 2 0 332.463 3.414 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423419924 309399778 /nfs/dbraw/zinc/39/97/78/309399778.db2.gz BFQGXVCCKOQJEA-QWHCGFSZSA-N 2 0 335.883 3.397 20 0 EGADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000423440771 309400651 /nfs/dbraw/zinc/40/06/51/309400651.db2.gz OSMYDSYBRDKYOA-HZUKXOBISA-N 2 0 332.879 3.265 20 0 EGADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC(F)F ZINC000423466032 309401355 /nfs/dbraw/zinc/40/13/55/309401355.db2.gz SCUMUFFXYBDYJH-SCRDCRAPSA-N 2 0 328.403 3.465 20 0 EGADRP COc1cc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000423485483 309402161 /nfs/dbraw/zinc/40/21/61/309402161.db2.gz RRTVIFSBYQXKBE-TZMCWYRMSA-N 2 0 328.403 3.479 20 0 EGADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000423504707 309403471 /nfs/dbraw/zinc/40/34/71/309403471.db2.gz NUNUIOKTAQOJDL-OXJNMPFZSA-N 2 0 335.455 3.398 20 0 EGADRP O=C(C[C@H]1CCC[NH2+]CC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423767553 309411881 /nfs/dbraw/zinc/41/18/81/309411881.db2.gz DLLHCBOCMVFZTC-KRWDZBQOSA-N 2 0 329.488 3.043 20 0 EGADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423788982 309412777 /nfs/dbraw/zinc/41/27/77/309412777.db2.gz DWYZHENBJSIRFP-FQEVSTJZSA-N 2 0 349.563 3.399 20 0 EGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424143451 309430684 /nfs/dbraw/zinc/43/06/84/309430684.db2.gz JTZWPRPKTBFYTQ-RTBURBONSA-N 2 0 337.552 3.255 20 0 EGADRP [NH3+]C[C@@H](CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000424275945 309435694 /nfs/dbraw/zinc/43/56/94/309435694.db2.gz BJPJGUISQFHBPI-LPHOPBHVSA-N 2 0 347.865 3.168 20 0 EGADRP Cc1cccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426771554 309515813 /nfs/dbraw/zinc/51/58/13/309515813.db2.gz DBWLCWXHLCOLAB-ROUUACIJSA-N 2 0 331.504 3.101 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428886423 309563745 /nfs/dbraw/zinc/56/37/45/309563745.db2.gz IMHNYZFLRDJBJV-ZDUSSCGKSA-N 2 0 349.466 3.130 20 0 EGADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000430698450 309615328 /nfs/dbraw/zinc/61/53/28/309615328.db2.gz NLSBXZJZELYUDT-BHIYHBOVSA-N 2 0 330.520 3.138 20 0 EGADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000430954445 309622102 /nfs/dbraw/zinc/62/21/02/309622102.db2.gz FMPOPCMOCKTGRM-ZDUSSCGKSA-N 2 0 332.423 3.177 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000431572664 309636992 /nfs/dbraw/zinc/63/69/92/309636992.db2.gz VLIRQLSKMPPFPQ-IAGOWNOFSA-N 2 0 345.512 3.160 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000437111164 309786934 /nfs/dbraw/zinc/78/69/34/309786934.db2.gz YXZWYFCJINIXTK-DZFGPLHGSA-N 2 0 330.516 3.223 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438193781 309809023 /nfs/dbraw/zinc/80/90/23/309809023.db2.gz XLQMOGZTRIYILU-IAGOWNOFSA-N 2 0 349.494 3.045 20 0 EGADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884378 309970137 /nfs/dbraw/zinc/97/01/37/309970137.db2.gz PKBUFFSBYGLIIA-OAHLLOKOSA-N 2 0 326.488 3.348 20 0 EGADRP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449013563 310029001 /nfs/dbraw/zinc/02/90/01/310029001.db2.gz DBKVYTSARDTZJQ-UHFFFAOYSA-N 2 0 344.478 3.390 20 0 EGADRP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000449029450 310030737 /nfs/dbraw/zinc/03/07/37/310030737.db2.gz OVUVYUCKAZSJTJ-QGZVFWFLSA-N 2 0 340.467 3.003 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCC[C@H]1C ZINC000449071198 310034754 /nfs/dbraw/zinc/03/47/54/310034754.db2.gz GOQLBABIMPRIAG-ZIFCJYIRSA-N 2 0 330.520 3.138 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449079230 310035334 /nfs/dbraw/zinc/03/53/34/310035334.db2.gz NWWDSGMXOUSLJR-GOSISDBHSA-N 2 0 343.515 3.371 20 0 EGADRP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000449078482 310035366 /nfs/dbraw/zinc/03/53/66/310035366.db2.gz XWPKGCXERFDITI-LJQANCHMSA-N 2 0 330.520 3.282 20 0 EGADRP O[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000449094219 310036780 /nfs/dbraw/zinc/03/67/80/310036780.db2.gz RBGBIQASZPYOMQ-QRQLOZEOSA-N 2 0 336.907 3.098 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449130030 310039135 /nfs/dbraw/zinc/03/91/35/310039135.db2.gz FMNUMYJBHQQOGP-MSOLQXFVSA-N 2 0 343.515 3.227 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCCC1 ZINC000449176802 310042322 /nfs/dbraw/zinc/04/23/22/310042322.db2.gz NPWHAHXMMCGYDV-SFHVURJKSA-N 2 0 337.552 3.172 20 0 EGADRP COc1cc2ccccc2cc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000449196817 310043853 /nfs/dbraw/zinc/04/38/53/310043853.db2.gz ZFZDISIIIODFSZ-UHFFFAOYSA-N 2 0 342.483 3.173 20 0 EGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000449235102 310046730 /nfs/dbraw/zinc/04/67/30/310046730.db2.gz SURYASBAEUJSQN-WAOWUJCRSA-N 2 0 329.532 3.154 20 0 EGADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000449310768 310052483 /nfs/dbraw/zinc/05/24/83/310052483.db2.gz IILKRDWMUGVUKR-ZWKOTPCHSA-N 2 0 349.563 3.409 20 0 EGADRP CCCN(CCC[NH+](C)C)Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449325262 310053641 /nfs/dbraw/zinc/05/36/41/310053641.db2.gz LIIVCHVXABSVHJ-UHFFFAOYSA-N 2 0 330.476 3.045 20 0 EGADRP CC[N@@H+]1CC[C@H](NCC2([NH+](C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472845 310064902 /nfs/dbraw/zinc/06/49/02/310064902.db2.gz GHZQQSKHCIXAFK-ICSRJNTNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449501023 310067222 /nfs/dbraw/zinc/06/72/22/310067222.db2.gz DYXPXAVDTUFXOU-PSOYPTMXSA-N 2 0 334.548 3.416 20 0 EGADRP CCCc1ccc2[nH+]ccc(N3CCC[N@@H+]([C@@H](C)CO)CC3)c2c1 ZINC000450478101 310125115 /nfs/dbraw/zinc/12/51/15/310125115.db2.gz ZIKZRMSDLZYPAB-INIZCTEOSA-N 2 0 327.472 3.080 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC000450633544 310134093 /nfs/dbraw/zinc/13/40/93/310134093.db2.gz BABGWYFJBQZDBR-UHFFFAOYSA-N 2 0 349.950 3.373 20 0 EGADRP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450723344 310139389 /nfs/dbraw/zinc/13/93/89/310139389.db2.gz COIQIJSFHXZVCD-UYAOXDASSA-N 2 0 329.532 3.361 20 0 EGADRP CCO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451551488 310185500 /nfs/dbraw/zinc/18/55/00/310185500.db2.gz XYHREWHEYLRTFD-YCKXBTPASA-N 2 0 340.552 3.116 20 0 EGADRP CN(CCC[NH+]1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452113359 310213131 /nfs/dbraw/zinc/21/31/31/310213131.db2.gz HKBYYIDAPLBWKF-UHFFFAOYSA-N 2 0 335.458 3.211 20 0 EGADRP c1cnn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453062397 310255288 /nfs/dbraw/zinc/25/52/88/310255288.db2.gz DOYXNERHHNCYNY-HKBOAZHASA-N 2 0 338.499 3.306 20 0 EGADRP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453098142 310257623 /nfs/dbraw/zinc/25/76/23/310257623.db2.gz ZVRWWOPQIJIEDB-PWRODBHTSA-N 2 0 338.499 3.224 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccncn3)CC2)cc1 ZINC000453098458 310257667 /nfs/dbraw/zinc/25/76/67/310257667.db2.gz YCDNJBXOTXQXEM-INIZCTEOSA-N 2 0 340.471 3.048 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)CC1 ZINC000453103679 310258248 /nfs/dbraw/zinc/25/82/48/310258248.db2.gz RWRHQHZYNKGRKI-OAQYLSRUSA-N 2 0 328.500 3.312 20 0 EGADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000453374551 310273576 /nfs/dbraw/zinc/27/35/76/310273576.db2.gz OZNBIYPRQCPBLX-UYMUPBKUSA-N 2 0 328.500 3.300 20 0 EGADRP Cn1ccnc1[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000453408737 310275574 /nfs/dbraw/zinc/27/55/74/310275574.db2.gz SUYFBNFWOYMABN-GOSISDBHSA-N 2 0 330.451 3.113 20 0 EGADRP COc1ccc(Br)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453597008 310283591 /nfs/dbraw/zinc/28/35/91/310283591.db2.gz MUKKEAYJINVZDZ-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455840170 310378971 /nfs/dbraw/zinc/37/89/71/310378971.db2.gz DAHNJAUSODBAOT-GOSISDBHSA-N 2 0 346.519 3.477 20 0 EGADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455872154 310380547 /nfs/dbraw/zinc/38/05/47/310380547.db2.gz YPSIEALRUYBKOU-KXBFYZLASA-N 2 0 346.519 3.477 20 0 EGADRP CCC[N@H+](CC)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455937444 310382809 /nfs/dbraw/zinc/38/28/09/310382809.db2.gz SMPPAUJZQILYPK-GOSISDBHSA-N 2 0 332.492 3.089 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C)[NH+]1CCCC1 ZINC000474469216 310794114 /nfs/dbraw/zinc/79/41/14/310794114.db2.gz LKHJGURHWIIBNW-OWYHZJEWSA-N 2 0 338.536 3.454 20 0 EGADRP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000474474563 310794273 /nfs/dbraw/zinc/79/42/73/310794273.db2.gz GOXUFEAQIMPWQS-OALUTQOASA-N 2 0 330.520 3.138 20 0 EGADRP COC1(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCCCC1 ZINC000483300754 310947178 /nfs/dbraw/zinc/94/71/78/310947178.db2.gz ZCHUOZWUOHBOHP-ROUUACIJSA-N 2 0 338.536 3.157 20 0 EGADRP C[C@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000487205972 311015797 /nfs/dbraw/zinc/01/57/97/311015797.db2.gz WFGCMXSJWWVMQX-ZWOKBUDYSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000487472178 311025349 /nfs/dbraw/zinc/02/53/49/311025349.db2.gz WAWGXJUAFIOYCV-AZUAARDMSA-N 2 0 343.515 3.274 20 0 EGADRP COCCSCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000487919368 311042663 /nfs/dbraw/zinc/04/26/63/311042663.db2.gz PRFUMAPPWQBKDE-MSOLQXFVSA-N 2 0 328.566 3.343 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCSC[C@H](C)C2)CC1 ZINC000488396432 311063520 /nfs/dbraw/zinc/06/35/20/311063520.db2.gz KQDSXBMJNNGTIO-QGZVFWFLSA-N 2 0 333.545 3.013 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CS1 ZINC000488419269 311064720 /nfs/dbraw/zinc/06/47/20/311064720.db2.gz ZXUMXUALIJLDMF-UXHICEINSA-N 2 0 347.572 3.054 20 0 EGADRP Cc1ccc(F)cc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000491251412 311170285 /nfs/dbraw/zinc/17/02/85/311170285.db2.gz YXCJXSFWOXQPDP-IRXDYDNUSA-N 2 0 334.479 3.455 20 0 EGADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)NC(=O)OC(C)(C)C ZINC000492439218 311250836 /nfs/dbraw/zinc/25/08/36/311250836.db2.gz VNALULDCYQQRQZ-OAGGEKHMSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000492769102 311288928 /nfs/dbraw/zinc/28/89/28/311288928.db2.gz LZFLGOZDOZZTPK-DOTOQJQBSA-N 2 0 337.508 3.016 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000492776815 311289856 /nfs/dbraw/zinc/28/98/56/311289856.db2.gz ZLXVZZHIZLYUNL-HZPDHXFCSA-N 2 0 327.513 3.144 20 0 EGADRP CC(C)C[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496609536 311738137 /nfs/dbraw/zinc/73/81/37/311738137.db2.gz QFMYNZCLFKDHGW-AQFXKWCLSA-N 2 0 341.540 3.388 20 0 EGADRP C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506474291 312049893 /nfs/dbraw/zinc/04/98/93/312049893.db2.gz MFNWMHHLHGEZOF-WCIQWLHISA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507485105 312074745 /nfs/dbraw/zinc/07/47/45/312074745.db2.gz KRWFVGYKAYSDIZ-JOZSIVFUSA-N 2 0 330.516 3.284 20 0 EGADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507521210 312075815 /nfs/dbraw/zinc/07/58/15/312075815.db2.gz WHHKEZIOXYTMDB-YMQHIKHWSA-N 2 0 328.500 3.302 20 0 EGADRP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511029320 312153266 /nfs/dbraw/zinc/15/32/66/312153266.db2.gz MKHZSPPBXLGSRP-DZFGPLHGSA-N 2 0 330.516 3.428 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000514782115 312245029 /nfs/dbraw/zinc/24/50/29/312245029.db2.gz YKFYSQDPPYMEPR-FUHWJXTLSA-N 2 0 325.456 3.138 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000514935005 312255285 /nfs/dbraw/zinc/25/52/85/312255285.db2.gz XFSOFFPXDNPDBS-GOSISDBHSA-N 2 0 333.520 3.167 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000516650549 312335383 /nfs/dbraw/zinc/33/53/83/312335383.db2.gz AKMRXHJELRBYNZ-GDBMZVCRSA-N 2 0 349.906 3.297 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527652044 312898852 /nfs/dbraw/zinc/89/88/52/312898852.db2.gz BBSZCIJRFXXJAI-UHFFFAOYSA-N 2 0 346.700 3.319 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(Br)ccc2OC)CC1 ZINC000070188847 454167362 /nfs/dbraw/zinc/16/73/62/454167362.db2.gz PQQJTXKEFUJDBT-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP OC1(C(F)(F)F)CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000532229320 313771911 /nfs/dbraw/zinc/77/19/11/313771911.db2.gz VLKHSCDYNDRUIL-UHFFFAOYSA-N 2 0 336.442 3.468 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000535811494 314077001 /nfs/dbraw/zinc/07/70/01/314077001.db2.gz UATQZRYCZNMFSW-UHFFFAOYSA-N 2 0 345.531 3.075 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N(CC)CC)nc2)[C@@H](C)C1 ZINC000537455264 314182398 /nfs/dbraw/zinc/18/23/98/314182398.db2.gz BPROTGPKNGJDFC-PKOBYXMFSA-N 2 0 348.535 3.477 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000539405789 314311978 /nfs/dbraw/zinc/31/19/78/314311978.db2.gz MVVKHJQZNBPPSN-IFMALSPDSA-N 2 0 343.559 3.356 20 0 EGADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000540908510 314415268 /nfs/dbraw/zinc/41/52/68/314415268.db2.gz AEZKARJTCQBYMQ-FQEVSTJZSA-N 2 0 349.588 3.421 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000542674320 314568312 /nfs/dbraw/zinc/56/83/12/314568312.db2.gz QFEMHGMVZAZQPZ-DNVCBOLYSA-N 2 0 335.923 3.333 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000546724975 314852310 /nfs/dbraw/zinc/85/23/10/314852310.db2.gz WSJNDYJFJRMHDW-HNAYVOBHSA-N 2 0 335.923 3.333 20 0 EGADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000548634924 315028999 /nfs/dbraw/zinc/02/89/99/315028999.db2.gz JEUFDMPGTJKJOI-UHZRXMQZSA-N 2 0 328.500 3.036 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548717052 315038716 /nfs/dbraw/zinc/03/87/16/315038716.db2.gz JOBCSSVVXOFPDP-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000549097389 315075120 /nfs/dbraw/zinc/07/51/20/315075120.db2.gz PZPUNBWHMBOZLN-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP CC(C[NH+]1CCCO[C@@H](C(C)C)C1)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000550189001 315119566 /nfs/dbraw/zinc/11/95/66/315119566.db2.gz PJVBVIPWDDILDF-WOJBJXKFSA-N 2 0 340.552 3.116 20 0 EGADRP Cc1ccc2nc(C[NH2+]CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000551200093 315144717 /nfs/dbraw/zinc/14/47/17/315144717.db2.gz KLTOQVROVMZQJA-HDICACEKSA-N 2 0 328.504 3.490 20 0 EGADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552046589 315193399 /nfs/dbraw/zinc/19/33/99/315193399.db2.gz LSCQLAXDPHLJCV-UWHLTILDSA-N 2 0 330.516 3.284 20 0 EGADRP CCc1ccc([C@@H]([NH2+]CC(=O)NC2CC[NH+](CC)CC2)C(C)C)cc1 ZINC000552812139 315233967 /nfs/dbraw/zinc/23/39/67/315233967.db2.gz STVRFUZBFBOTLK-NRFANRHFSA-N 2 0 345.531 3.136 20 0 EGADRP Cc1nn(C)c2ncc(C[NH2+]CC3CC[NH+](CCC(C)C)CC3)cc12 ZINC000553874691 315286770 /nfs/dbraw/zinc/28/67/70/315286770.db2.gz CFZIQLUSKOEFIL-UHFFFAOYSA-N 2 0 343.519 3.124 20 0 EGADRP CC[C@@H](C[NH2+][C@H]1CCC12CCOCC2)N1CCc2ccccc2C1 ZINC000554560879 315332564 /nfs/dbraw/zinc/33/25/64/315332564.db2.gz IQKAOCSRBIHCJH-PMACEKPBSA-N 2 0 328.500 3.372 20 0 EGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000554843376 315352210 /nfs/dbraw/zinc/35/22/10/315352210.db2.gz NSADPNNEPYFYAB-FQEVSTJZSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000559898708 315648785 /nfs/dbraw/zinc/64/87/85/315648785.db2.gz DNBDLXJQQLMTNI-FXAWDEMLSA-N 2 0 348.531 3.466 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000559984931 315653515 /nfs/dbraw/zinc/65/35/15/315653515.db2.gz AJDCHMMQVIIPDH-MISYRCLQSA-N 2 0 329.532 3.389 20 0 EGADRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000563064084 315952601 /nfs/dbraw/zinc/95/26/01/315952601.db2.gz UFMVNFWXNJFDND-QGZVFWFLSA-N 2 0 331.504 3.067 20 0 EGADRP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000563748014 316064062 /nfs/dbraw/zinc/06/40/62/316064062.db2.gz OQZBSWKCLMVJTE-NQIIRXRSSA-N 2 0 326.484 3.354 20 0 EGADRP C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccnc3ccncc32)CC1 ZINC000564446277 316153354 /nfs/dbraw/zinc/15/33/54/316153354.db2.gz CSMGAPCUCJKJAT-OAHLLOKOSA-N 2 0 333.439 3.084 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000564829315 316213027 /nfs/dbraw/zinc/21/30/27/316213027.db2.gz SCZHHKUSBGQOOF-NZSAHSFTSA-N 2 0 343.515 3.029 20 0 EGADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000564844766 316216664 /nfs/dbraw/zinc/21/66/64/316216664.db2.gz OATPJJANVUCONS-HXUWFJFHSA-N 2 0 348.531 3.145 20 0 EGADRP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000565308495 316307724 /nfs/dbraw/zinc/30/77/24/316307724.db2.gz VRDZKAWBYTYXJA-LSDHHAIUSA-N 2 0 329.419 3.302 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000565420906 316321996 /nfs/dbraw/zinc/32/19/96/316321996.db2.gz PENRCYCCIPMWHQ-RYQLBKOJSA-N 2 0 331.504 3.140 20 0 EGADRP CC1(C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000565495923 316331542 /nfs/dbraw/zinc/33/15/42/316331542.db2.gz CLOLAZMYJLVZAF-HXUWFJFHSA-N 2 0 329.532 3.363 20 0 EGADRP [NH3+]CCC1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000566356364 316461165 /nfs/dbraw/zinc/46/11/65/316461165.db2.gz WLSGQRKQCCBSNU-UHFFFAOYSA-N 2 0 332.366 3.025 20 0 EGADRP Cc1ccccc1OC[C@H](O)C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000567581529 316638296 /nfs/dbraw/zinc/63/82/96/316638296.db2.gz GBZGTGWVJUMLFC-CMKODMSKSA-N 2 0 348.531 3.082 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000568710341 316810206 /nfs/dbraw/zinc/81/02/06/316810206.db2.gz GDVSBJKXLRBXQY-MRXNPFEDSA-N 2 0 325.541 3.266 20 0 EGADRP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000570772823 317104718 /nfs/dbraw/zinc/10/47/18/317104718.db2.gz WGPFUFYTPYEKHK-KRWDZBQOSA-N 2 0 329.488 3.341 20 0 EGADRP [NH3+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000571147820 317156551 /nfs/dbraw/zinc/15/65/51/317156551.db2.gz ZFZVFYJZSYYHOW-GOSISDBHSA-N 2 0 330.476 3.064 20 0 EGADRP [NH3+]CCC1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000571453643 317201598 /nfs/dbraw/zinc/20/15/98/317201598.db2.gz WQGBEJYHUZECFR-UHFFFAOYSA-N 2 0 337.467 3.500 20 0 EGADRP C[C@H](C[NH2+]CC1CCC(c2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000572763635 317388056 /nfs/dbraw/zinc/38/80/56/317388056.db2.gz TYBZZLKIXDMJPV-VRKFHHGPSA-N 2 0 343.559 3.434 20 0 EGADRP CC1CCC([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000572810587 317393675 /nfs/dbraw/zinc/39/36/75/317393675.db2.gz RVLBSYJTHPAWIL-UHFFFAOYSA-N 2 0 329.532 3.363 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177902912 323347865 /nfs/dbraw/zinc/34/78/65/323347865.db2.gz KVNMSQFZPDPWPK-IOASZLSFSA-N 2 0 330.394 3.403 20 0 EGADRP COC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000384179848 324259174 /nfs/dbraw/zinc/25/91/74/324259174.db2.gz ZBKQJPYTMRQUCU-SLFFLAALSA-N 2 0 328.500 3.446 20 0 EGADRP CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388578996 324276332 /nfs/dbraw/zinc/27/63/32/324276332.db2.gz FNVUXBSUYBQZDQ-SLFFLAALSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000578765160 325015839 /nfs/dbraw/zinc/01/58/39/325015839.db2.gz KEFRHKYDCFUMDM-YVWKXTFCSA-N 2 0 343.515 3.236 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000578763869 325016262 /nfs/dbraw/zinc/01/62/62/325016262.db2.gz PEVVDAGLESNBHO-MJGOQNOKSA-N 2 0 331.504 3.095 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000578795661 325019919 /nfs/dbraw/zinc/01/99/19/325019919.db2.gz RFXXJZJBIOZRGF-LJQANCHMSA-N 2 0 329.488 3.412 20 0 EGADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc4c[nH+]cn4c3)ccc21 ZINC000579805365 325160671 /nfs/dbraw/zinc/16/06/71/325160671.db2.gz QBRNTCSITRVPMP-IBGZPJMESA-N 2 0 349.438 3.205 20 0 EGADRP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580315410 325234007 /nfs/dbraw/zinc/23/40/07/325234007.db2.gz HKDATTWUEVBIST-HUUCEWRRSA-N 2 0 330.451 3.017 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000580336161 325237181 /nfs/dbraw/zinc/23/71/81/325237181.db2.gz ASHVXHLXPNKYMK-LPHOPBHVSA-N 2 0 331.504 3.093 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)CC3 ZINC000580545615 325265027 /nfs/dbraw/zinc/26/50/27/325265027.db2.gz KRXHIEFXKFZNEJ-JKSUJKDBSA-N 2 0 341.499 3.354 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000580749498 325290907 /nfs/dbraw/zinc/29/09/07/325290907.db2.gz DZXJNALVEOXELN-CQSZACIVSA-N 2 0 345.466 3.097 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000581062530 325325947 /nfs/dbraw/zinc/32/59/47/325325947.db2.gz HJXJBZRQBIPLAH-MAODMQOUSA-N 2 0 348.506 3.362 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000581247981 325345898 /nfs/dbraw/zinc/34/58/98/325345898.db2.gz HVEQAWWUPGWWGE-RDJZCZTQSA-N 2 0 333.520 3.256 20 0 EGADRP Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000581357591 325354708 /nfs/dbraw/zinc/35/47/08/325354708.db2.gz MVZIOPZCSONZCV-PXAZEXFGSA-N 2 0 346.475 3.287 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000581721078 325385926 /nfs/dbraw/zinc/38/59/26/325385926.db2.gz DLTRESPYZYHYNH-CBNMVNINSA-N 2 0 348.506 3.362 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180736089 455237284 /nfs/dbraw/zinc/23/72/84/455237284.db2.gz OSQBMQZGJSKGBN-DLBZAZTESA-N 2 0 343.515 3.280 20 0 EGADRP CCC[NH+](CCC)CCCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000590354580 459120495 /nfs/dbraw/zinc/12/04/95/459120495.db2.gz VQYJAYGLWOMMTA-UHFFFAOYSA-N 2 0 340.556 3.014 20 0 EGADRP Fc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000559761177 459276434 /nfs/dbraw/zinc/27/64/34/459276434.db2.gz XEIMGRLBLKMXCY-INIZCTEOSA-N 2 0 326.843 3.166 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000173319327 455264916 /nfs/dbraw/zinc/26/49/16/455264916.db2.gz YULHVTHSDFIUIK-QGZVFWFLSA-N 2 0 335.561 3.477 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(C)CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000181006318 455275818 /nfs/dbraw/zinc/27/58/18/455275818.db2.gz LXGUEJDYJWISKE-QFUCXCTJSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173391554 455277387 /nfs/dbraw/zinc/27/73/87/455277387.db2.gz RVBOQAYIIYTZLF-OAHLLOKOSA-N 2 0 343.437 3.384 20 0 EGADRP COC(=O)CCCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000600712682 460575174 /nfs/dbraw/zinc/57/51/74/460575174.db2.gz ZYZVTQIENAHJHZ-MOPGFXCFSA-N 2 0 332.488 3.002 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCC2 ZINC000181524746 455349153 /nfs/dbraw/zinc/34/91/53/455349153.db2.gz SMQRQASUOJKXJA-OALUTQOASA-N 2 0 332.488 3.064 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000021009362 453670847 /nfs/dbraw/zinc/67/08/47/453670847.db2.gz JWOMQBXCURGRHJ-UHFFFAOYSA-N 2 0 330.303 3.109 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000076004924 453948382 /nfs/dbraw/zinc/94/83/82/453948382.db2.gz MFJITCOWHGENPA-OAHLLOKOSA-N 2 0 337.895 3.332 20 0 EGADRP CC(C)C1CCC([NH+]2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC000084620883 454001772 /nfs/dbraw/zinc/00/17/72/454001772.db2.gz RONIPVIHDJYJER-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1ccccc1CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000084677344 454005575 /nfs/dbraw/zinc/00/55/75/454005575.db2.gz XLVGQRIQVYDNFN-NHCUHLMSSA-N 2 0 343.559 3.418 20 0 EGADRP CCC[NH+](CCC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000076652241 454022706 /nfs/dbraw/zinc/02/27/06/454022706.db2.gz MDVKUCWELFGITK-UHFFFAOYSA-N 2 0 345.531 3.198 20 0 EGADRP c1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000086256335 454046268 /nfs/dbraw/zinc/04/62/68/454046268.db2.gz LEPRBLSOWIHILF-UHFFFAOYSA-N 2 0 327.472 3.176 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510715 454157372 /nfs/dbraw/zinc/15/73/72/454157372.db2.gz ODHWJNYIKMVRQV-MBOZVWFJSA-N 2 0 343.515 3.131 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000070534414 454169205 /nfs/dbraw/zinc/16/92/05/454169205.db2.gz HHCQFGBXCIOUCL-GFCCVEGCSA-N 2 0 327.266 3.019 20 0 EGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000089702648 454179646 /nfs/dbraw/zinc/17/96/46/454179646.db2.gz NTJSYWHGBRTBMS-PXAZEXFGSA-N 2 0 342.314 3.206 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000130529107 454202777 /nfs/dbraw/zinc/20/27/77/454202777.db2.gz ZNXVOPSAXCVVJA-PXNSSMCTSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000046008053 454204983 /nfs/dbraw/zinc/20/49/83/454204983.db2.gz XDWYFGPERWRORJ-HOTGVXAUSA-N 2 0 332.492 3.133 20 0 EGADRP c1cc(N2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc[nH+]1 ZINC000095988024 454253493 /nfs/dbraw/zinc/25/34/93/454253493.db2.gz WBMNZFWPHWZWRA-ZCNNSNEGSA-N 2 0 341.499 3.235 20 0 EGADRP Cc1cnccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000120419493 454299700 /nfs/dbraw/zinc/29/97/00/454299700.db2.gz BXRFQDRLDSCBPA-HNNXBMFYSA-N 2 0 339.443 3.132 20 0 EGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000090408382 454300855 /nfs/dbraw/zinc/30/08/55/454300855.db2.gz ZCXNBLHOXOZKHW-UWJYYQICSA-N 2 0 329.532 3.413 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000078725460 454307384 /nfs/dbraw/zinc/30/73/84/454307384.db2.gz XKDNPXYHPZGOAJ-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000046991756 454312976 /nfs/dbraw/zinc/31/29/76/454312976.db2.gz JEZPAGHBIBRFRW-QGZVFWFLSA-N 2 0 349.519 3.363 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090526174 454316849 /nfs/dbraw/zinc/31/68/49/454316849.db2.gz NDDCKNQXOLCNQU-YSGRDPCXSA-N 2 0 332.488 3.114 20 0 EGADRP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072718363 454333403 /nfs/dbraw/zinc/33/34/03/454333403.db2.gz DJVABRVBRHXRAA-SFHVURJKSA-N 2 0 329.488 3.131 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[NH+](C)C ZINC000132512809 454345123 /nfs/dbraw/zinc/34/51/23/454345123.db2.gz KIRIQYLGAMOREX-WMZOPIPTSA-N 2 0 331.504 3.106 20 0 EGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090936914 454351488 /nfs/dbraw/zinc/35/14/88/454351488.db2.gz LJDKFODUJBFBDA-YWZLYKJASA-N 2 0 325.456 3.045 20 0 EGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCC2 ZINC000090936954 454352185 /nfs/dbraw/zinc/35/21/85/454352185.db2.gz PBOAHBIYDCGRBV-INIZCTEOSA-N 2 0 339.483 3.362 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000121171854 454401437 /nfs/dbraw/zinc/40/14/37/454401437.db2.gz UFHCVAYKYXVIDB-SJLPKXTDSA-N 2 0 333.545 3.087 20 0 EGADRP COc1ccccc1[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000091333347 454427247 /nfs/dbraw/zinc/42/72/47/454427247.db2.gz FNOKERHDSYZXCJ-DYESRHJHSA-N 2 0 345.531 3.152 20 0 EGADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000121382033 454428653 /nfs/dbraw/zinc/42/86/53/454428653.db2.gz WBZYZQKMXHIOIK-ROUUACIJSA-N 2 0 333.520 3.010 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000133638701 454449825 /nfs/dbraw/zinc/44/98/25/454449825.db2.gz BCXTUSIMQMMGNE-VNHYZAJKSA-N 2 0 330.394 3.403 20 0 EGADRP CC1(C)CC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000098092992 454453700 /nfs/dbraw/zinc/45/37/00/454453700.db2.gz STNIEWTZJOZSJW-SFHVURJKSA-N 2 0 343.515 3.076 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000091734892 454464111 /nfs/dbraw/zinc/46/41/11/454464111.db2.gz QPBMCLASIBNUFV-ZIAGYGMSSA-N 2 0 325.522 3.029 20 0 EGADRP c1sc2ccccc2c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000101726689 454481686 /nfs/dbraw/zinc/48/16/86/454481686.db2.gz CYNRRLMYWNGPIZ-UHFFFAOYSA-N 2 0 330.497 3.446 20 0 EGADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564048 454498354 /nfs/dbraw/zinc/49/83/54/454498354.db2.gz LIRFWHVHYKQLCT-LJQANCHMSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000122313222 454522142 /nfs/dbraw/zinc/52/21/42/454522142.db2.gz GXGPXBWYQYJWBE-FXAWDEMLSA-N 2 0 345.531 3.249 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000092564998 454587060 /nfs/dbraw/zinc/58/70/60/454587060.db2.gz ZZNKTBHZPIYLLZ-DYXWJJEUSA-N 2 0 329.532 3.391 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000080681539 454618331 /nfs/dbraw/zinc/61/83/31/454618331.db2.gz MDSAIJRJPCQWNC-INIZCTEOSA-N 2 0 331.435 3.311 20 0 EGADRP CN(CC1CCCCC1)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123289367 454622030 /nfs/dbraw/zinc/62/20/30/454622030.db2.gz SLNPASOAOFPWFC-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CC3 ZINC000123350515 454627642 /nfs/dbraw/zinc/62/76/42/454627642.db2.gz JVXPXRMFEPSEOI-XHSDSOJGSA-N 2 0 341.499 3.496 20 0 EGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CCC(C)C)CC1 ZINC000052246322 454664536 /nfs/dbraw/zinc/66/45/36/454664536.db2.gz CWHITMKEDCWLET-UHFFFAOYSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000106458558 454696086 /nfs/dbraw/zinc/69/60/86/454696086.db2.gz ZNXVOPSAXCVVJA-FXAWDEMLSA-N 2 0 345.531 3.263 20 0 EGADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1OC(F)F ZINC000635009452 460652099 /nfs/dbraw/zinc/65/20/99/460652099.db2.gz NGWIOHMBTCJBIA-CYBMUJFWSA-N 2 0 348.397 3.266 20 0 EGADRP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000124652133 454756686 /nfs/dbraw/zinc/75/66/86/454756686.db2.gz PYFKCQBKQNSSEL-IEBWSBKVSA-N 2 0 349.563 3.457 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCO2 ZINC000162537314 454781978 /nfs/dbraw/zinc/78/19/78/454781978.db2.gz QWGCFMNSTXHJAY-OAHLLOKOSA-N 2 0 342.439 3.207 20 0 EGADRP Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000163206670 454829980 /nfs/dbraw/zinc/82/99/80/454829980.db2.gz YOXQITTYBDWNRA-UTKZUKDTSA-N 2 0 342.483 3.320 20 0 EGADRP CN1CCC([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000177321259 454851647 /nfs/dbraw/zinc/85/16/47/454851647.db2.gz LDENCZDVRJDQMA-UHFFFAOYSA-N 2 0 343.559 3.405 20 0 EGADRP CCOc1ccc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153961270 454852192 /nfs/dbraw/zinc/85/21/92/454852192.db2.gz GLPJYKWKLAAEIW-KDURUIRLSA-N 2 0 345.531 3.076 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1C ZINC000163583342 454856955 /nfs/dbraw/zinc/85/69/55/454856955.db2.gz NHUAZXLZJRGYOA-DNVCBOLYSA-N 2 0 335.923 3.377 20 0 EGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000126009774 454863539 /nfs/dbraw/zinc/86/35/39/454863539.db2.gz ZXEGAGGAOBYOLX-YOEHRIQHSA-N 2 0 340.533 3.107 20 0 EGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1(C)CC1 ZINC000163969404 454870226 /nfs/dbraw/zinc/87/02/26/454870226.db2.gz FEYRKQNKGOIECN-KRWDZBQOSA-N 2 0 346.515 3.454 20 0 EGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccs1 ZINC000177602556 454882280 /nfs/dbraw/zinc/88/22/80/454882280.db2.gz MBDKUPXHQMKDEB-RDJZCZTQSA-N 2 0 349.544 3.122 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1nc(-c2ccccc2)cs1 ZINC000177880767 454916554 /nfs/dbraw/zinc/91/65/54/454916554.db2.gz CJDORGJNVFZFEA-OAHLLOKOSA-N 2 0 345.512 3.165 20 0 EGADRP C[N@@H+](Cc1cc(F)ccc1Br)CC1CC[NH+](C)CC1 ZINC000154685877 454918953 /nfs/dbraw/zinc/91/89/53/454918953.db2.gz GEYAONMPAFYLJH-UHFFFAOYSA-N 2 0 329.257 3.362 20 0 EGADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000168769151 454927548 /nfs/dbraw/zinc/92/75/48/454927548.db2.gz IPBJICYMUUFOEE-OALUTQOASA-N 2 0 347.503 3.253 20 0 EGADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1OC ZINC000169789049 454931001 /nfs/dbraw/zinc/93/10/01/454931001.db2.gz QYFDUVCJFXYRFM-CQSZACIVSA-N 2 0 338.879 3.179 20 0 EGADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127586317 454979608 /nfs/dbraw/zinc/97/96/08/454979608.db2.gz FKJOOLMXRJVKAN-ZWKOTPCHSA-N 2 0 333.520 3.008 20 0 EGADRP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127609474 454981613 /nfs/dbraw/zinc/98/16/13/454981613.db2.gz CIBWCHHPZJVPII-SJORKVTESA-N 2 0 335.561 3.474 20 0 EGADRP CC[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCC1 ZINC000151657715 455013803 /nfs/dbraw/zinc/01/38/03/455013803.db2.gz SUAMFNPAGWLJDM-IEBWSBKVSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000155624938 455023516 /nfs/dbraw/zinc/02/35/16/455023516.db2.gz MEFCNSJDOXJIRM-YCPHGPKFSA-N 2 0 339.574 3.289 20 0 EGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000635013927 460657842 /nfs/dbraw/zinc/65/78/42/460657842.db2.gz JYZHUDIBBIRXLB-DSLXNQLJSA-N 2 0 336.907 3.316 20 0 EGADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1OC(F)F ZINC000151857348 455040522 /nfs/dbraw/zinc/04/05/22/455040522.db2.gz HTUZYADZAQIQIE-INIZCTEOSA-N 2 0 342.430 3.033 20 0 EGADRP CCC[C@@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128403939 455052934 /nfs/dbraw/zinc/05/29/34/455052934.db2.gz MBOKYIWNANEECM-NRFANRHFSA-N 2 0 331.548 3.405 20 0 EGADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128476177 455059408 /nfs/dbraw/zinc/05/94/08/455059408.db2.gz BMEBXFDRKXXSGM-CYBMUJFWSA-N 2 0 332.275 3.237 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C(C)C)cc1 ZINC000128636196 455074197 /nfs/dbraw/zinc/07/41/97/455074197.db2.gz SHFMFDSYQLSLGW-OAQYLSRUSA-N 2 0 331.548 3.179 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000156039382 455075230 /nfs/dbraw/zinc/07/52/30/455075230.db2.gz QMGBDIIWSGXTGR-VQIMIIECSA-N 2 0 349.544 3.027 20 0 EGADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000129062919 455096457 /nfs/dbraw/zinc/09/64/57/455096457.db2.gz VJZUPKAGDKLCCL-MNOVXSKESA-N 2 0 330.259 3.134 20 0 EGADRP CN(CC(=O)Nc1ccccc1C(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152376179 455109650 /nfs/dbraw/zinc/10/96/50/455109650.db2.gz UAIVUADQCWZPOW-MRXNPFEDSA-N 2 0 331.504 3.196 20 0 EGADRP CN(CCc1nc(-c2ccc(Cl)cc2)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152450278 455121519 /nfs/dbraw/zinc/12/15/19/455121519.db2.gz YZTHSQVLPKPMAX-CQSZACIVSA-N 2 0 348.878 3.206 20 0 EGADRP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000180170580 455143823 /nfs/dbraw/zinc/14/38/23/455143823.db2.gz PYJITEAZPIEGKJ-YMQHIKHWSA-N 2 0 328.500 3.038 20 0 EGADRP CC(C)CN(CC(C)C)C(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157254614 455177013 /nfs/dbraw/zinc/17/70/13/455177013.db2.gz PJKYGJIIEGBSMC-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)CC1 ZINC000264392509 455204084 /nfs/dbraw/zinc/20/40/84/455204084.db2.gz SWCGHAWRMWPVEY-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442275 455301215 /nfs/dbraw/zinc/30/12/15/455301215.db2.gz WEXASNAYWQOLFT-CABCVRRESA-N 2 0 337.895 3.331 20 0 EGADRP CCC1(CC)CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000190413807 455310764 /nfs/dbraw/zinc/31/07/64/455310764.db2.gz GCCLSDXMBVTICW-UHFFFAOYSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158688365 455322377 /nfs/dbraw/zinc/32/23/77/455322377.db2.gz VBMUHAPVMUYNML-KURKYZTESA-N 2 0 341.503 3.286 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246182781 455443837 /nfs/dbraw/zinc/44/38/37/455443837.db2.gz KPGLDIBEPQXZCL-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1csc(Cl)c1)N1CC[NH+](C)CC1 ZINC000191158088 455454420 /nfs/dbraw/zinc/45/44/20/455454420.db2.gz LOTUWGDNIIZUGC-UKRRQHHQSA-N 2 0 329.941 3.324 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000246282884 455464085 /nfs/dbraw/zinc/46/40/85/455464085.db2.gz BRBCMIHMXRDZET-FZMZJTMJSA-N 2 0 332.275 3.087 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@@H](C)C1 ZINC000246340148 455472906 /nfs/dbraw/zinc/47/29/06/455472906.db2.gz GVMPRCMYIYSIAG-LAUBAEHRSA-N 2 0 346.515 3.202 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1)C(C)C ZINC000246338764 455473400 /nfs/dbraw/zinc/47/34/00/455473400.db2.gz FDJAJFDRDQFBBN-VQIMIIECSA-N 2 0 343.515 3.272 20 0 EGADRP Cc1ccccc1C[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000191559975 455496650 /nfs/dbraw/zinc/49/66/50/455496650.db2.gz YNHAZZIGVIIVKB-FQEVSTJZSA-N 2 0 330.516 3.285 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182409669 455508058 /nfs/dbraw/zinc/50/80/58/455508058.db2.gz AKYDEHYJFBWMDJ-HXUWFJFHSA-N 2 0 333.495 3.210 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000247038574 455549179 /nfs/dbraw/zinc/54/91/79/455549179.db2.gz LRMSVXMSXUYMIJ-CRAIPNDOSA-N 2 0 344.890 3.173 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247178191 455568905 /nfs/dbraw/zinc/56/89/05/455568905.db2.gz YZVCISVBAKLDBF-IAGOWNOFSA-N 2 0 327.476 3.038 20 0 EGADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCC1 ZINC000247186149 455570596 /nfs/dbraw/zinc/57/05/96/455570596.db2.gz VMGYJLFDADWUQS-TYPHKJRUSA-N 2 0 344.547 3.002 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@@H+]1C1CC1 ZINC000267987093 455575599 /nfs/dbraw/zinc/57/55/99/455575599.db2.gz PMNHVRYJMMZTQJ-QFBILLFUSA-N 2 0 341.499 3.028 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@@H+]1C1CC1 ZINC000267987094 455575783 /nfs/dbraw/zinc/57/57/83/455575783.db2.gz PMNHVRYJMMZTQJ-VQIMIIECSA-N 2 0 341.499 3.028 20 0 EGADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2c[nH+]cn2c1 ZINC000283797423 455594958 /nfs/dbraw/zinc/59/49/58/455594958.db2.gz GNFNEZQFGWSELS-UYAOXDASSA-N 2 0 346.434 3.091 20 0 EGADRP CC(=O)Nc1cccc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185693369 455597883 /nfs/dbraw/zinc/59/78/83/455597883.db2.gz GCZPSMNQYXNVPT-CRAIPNDOSA-N 2 0 329.488 3.388 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000268185914 455613047 /nfs/dbraw/zinc/61/30/47/455613047.db2.gz WWCITBGLMWDWTH-LJQANCHMSA-N 2 0 344.503 3.147 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000271464778 455647752 /nfs/dbraw/zinc/64/77/52/455647752.db2.gz KVNKZKFPXYCULG-QRWLVFNGSA-N 2 0 346.446 3.150 20 0 EGADRP CCOCCC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000271470721 455649741 /nfs/dbraw/zinc/64/97/41/455649741.db2.gz HKHNRQVQNDDKKQ-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(OCC[NH+](C)C)cc1 ZINC000271532261 455674872 /nfs/dbraw/zinc/67/48/72/455674872.db2.gz RIKNXMLFGGEEIU-KBXCAEBGSA-N 2 0 328.460 3.078 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000192743560 455683742 /nfs/dbraw/zinc/68/37/42/455683742.db2.gz ADNGDWLOJCXVEL-FQEVSTJZSA-N 2 0 347.522 3.106 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000271701560 455727255 /nfs/dbraw/zinc/72/72/55/455727255.db2.gz LPBOJOCYLFFJMU-SOLBZPMBSA-N 2 0 349.494 3.186 20 0 EGADRP COCCC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000268994720 455757469 /nfs/dbraw/zinc/75/74/69/455757469.db2.gz HKCYFAPZEGCRCA-QGZVFWFLSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269038488 455771331 /nfs/dbraw/zinc/77/13/31/455771331.db2.gz SYACGIWENRRGHJ-AWEZNQCLSA-N 2 0 333.451 3.149 20 0 EGADRP COC(=O)c1cc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)oc1C ZINC000293033283 455772662 /nfs/dbraw/zinc/77/26/62/455772662.db2.gz WKIQFYVRZLWAKI-AWEZNQCLSA-N 2 0 336.476 3.489 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1Br ZINC000271847149 455785063 /nfs/dbraw/zinc/78/50/63/455785063.db2.gz IBDPWUMWMQVYJL-LBPRGKRZSA-N 2 0 339.277 3.370 20 0 EGADRP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000269081630 455786124 /nfs/dbraw/zinc/78/61/24/455786124.db2.gz ZRYZTWUAJWTVHC-ICSRJNTNSA-N 2 0 325.456 3.470 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1N(C)C ZINC000252802872 455830125 /nfs/dbraw/zinc/83/01/25/455830125.db2.gz VRXZQMCTKGWGSE-FGTMMUONSA-N 2 0 333.520 3.293 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCOCC4)[C@@H]3C2)cc1 ZINC000285506405 455860019 /nfs/dbraw/zinc/86/00/19/455860019.db2.gz ALIYATOSSHTNKY-CEWLAPEOSA-N 2 0 328.500 3.446 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000186999275 455861140 /nfs/dbraw/zinc/86/11/40/455861140.db2.gz UICFZVTVUFEQSZ-IBGZPJMESA-N 2 0 347.572 3.458 20 0 EGADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1OC ZINC000285561323 455870108 /nfs/dbraw/zinc/87/01/08/455870108.db2.gz HGTQBLHXWPLNMX-JCGIZDLHSA-N 2 0 332.488 3.160 20 0 EGADRP C[NH+](C/C=C\C[N@H+](C)CCC1CCOCC1)CCC1CCOCC1 ZINC000255842229 455874256 /nfs/dbraw/zinc/87/42/56/455874256.db2.gz FKJNHPKHRFQSGT-ARJAWSKDSA-N 2 0 338.536 3.040 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617001267 460698548 /nfs/dbraw/zinc/69/85/48/460698548.db2.gz LIGYQYGCKCUMKM-WMZOPIPTSA-N 2 0 335.536 3.020 20 0 EGADRP Fc1cccc([C@@H]2C[NH2+]CCN2Cc2cn3cc(Cl)ccc3n2)c1 ZINC000261620048 455914927 /nfs/dbraw/zinc/91/49/27/455914927.db2.gz CWSJWFUFSHZTID-KRWDZBQOSA-N 2 0 344.821 3.273 20 0 EGADRP C[C@@]1(C[NH3+])CCN(CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000261639089 455919004 /nfs/dbraw/zinc/91/90/04/455919004.db2.gz GAZDIGLXQWMKCS-FQEVSTJZSA-N 2 0 329.488 3.023 20 0 EGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3occc3c2)C1 ZINC000285819587 455923067 /nfs/dbraw/zinc/92/30/67/455923067.db2.gz GSDCVPDDHMRGTN-FQEVSTJZSA-N 2 0 336.435 3.289 20 0 EGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1c1ccccc1 ZINC000261676537 455926437 /nfs/dbraw/zinc/92/64/37/455926437.db2.gz JQMSCZOTUCGTJE-CTNGQTDRSA-N 2 0 332.451 3.047 20 0 EGADRP CCC(CC)(CNC(=O)CC[C@H]1CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000261741935 455939417 /nfs/dbraw/zinc/93/94/17/455939417.db2.gz GQLZCTJYFOERQJ-MSOLQXFVSA-N 2 0 345.531 3.402 20 0 EGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261789287 455948673 /nfs/dbraw/zinc/94/86/73/455948673.db2.gz QBLDMABKBCSVDT-PWIZWCRZSA-N 2 0 343.515 3.052 20 0 EGADRP Cc1cccc(CC2(O)CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000280351698 455954197 /nfs/dbraw/zinc/95/41/97/455954197.db2.gz JAGOSPMZENPVDS-HXUWFJFHSA-N 2 0 330.516 3.239 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCCC1)c1ccccc1 ZINC000261856915 455959682 /nfs/dbraw/zinc/95/96/82/455959682.db2.gz WJFOPVAYFGYRKU-NZSAHSFTSA-N 2 0 343.515 3.284 20 0 EGADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465925 455961430 /nfs/dbraw/zinc/96/14/30/455961430.db2.gz YBFOLVWIZNOLET-OAUYIBNBSA-N 2 0 343.298 3.443 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000261898558 455966536 /nfs/dbraw/zinc/96/65/36/455966536.db2.gz USRTWHXGVYLCJJ-IRXDYDNUSA-N 2 0 349.544 3.027 20 0 EGADRP CC1CC[NH+]([C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000261898561 455967253 /nfs/dbraw/zinc/96/72/53/455967253.db2.gz USRTWHXGVYLCJJ-SJORKVTESA-N 2 0 349.544 3.027 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000280422009 455967530 /nfs/dbraw/zinc/96/75/30/455967530.db2.gz WXDFYLDUEWKTJG-DLBZAZTESA-N 2 0 337.939 3.449 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280424848 455969147 /nfs/dbraw/zinc/96/91/47/455969147.db2.gz ZHVHEZZJNCUJCM-HNNXBMFYSA-N 2 0 347.894 3.084 20 0 EGADRP C[NH2+]CCC1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000261970745 455979706 /nfs/dbraw/zinc/97/97/06/455979706.db2.gz DAVSACPWOSQHIQ-FQEVSTJZSA-N 2 0 343.515 3.062 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1 ZINC000188060869 455989644 /nfs/dbraw/zinc/98/96/44/455989644.db2.gz ULFDGZVXVFWDOF-OAHLLOKOSA-N 2 0 341.455 3.043 20 0 EGADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000272589298 456005246 /nfs/dbraw/zinc/00/52/46/456005246.db2.gz XAGVXBFGHXERQA-LPHOPBHVSA-N 2 0 325.456 3.090 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262165791 456007018 /nfs/dbraw/zinc/00/70/18/456007018.db2.gz VYDRAERSDUVVCN-JXFKEZNVSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000272612269 456013671 /nfs/dbraw/zinc/01/36/71/456013671.db2.gz ZMZHSKOJYZPKMV-NLWGTHIKSA-N 2 0 326.488 3.162 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262304134 456022858 /nfs/dbraw/zinc/02/28/58/456022858.db2.gz QYWNGIRARDUGMZ-AHRSYUTCSA-N 2 0 343.515 3.052 20 0 EGADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c2cccs2)CC1 ZINC000262313120 456023924 /nfs/dbraw/zinc/02/39/24/456023924.db2.gz BRGBTJHGIAOZDH-YESZJQIVSA-N 2 0 349.544 3.025 20 0 EGADRP Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c(C[NH+](C)C)c1 ZINC000262351266 456027468 /nfs/dbraw/zinc/02/74/68/456027468.db2.gz UMHRGXPDIAELKL-JOUKPKRSSA-N 2 0 329.488 3.149 20 0 EGADRP CCC(CC)(CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000262364101 456028929 /nfs/dbraw/zinc/02/89/29/456028929.db2.gz KWCZJMPOKDJSKD-SCTDSRPQSA-N 2 0 345.531 3.400 20 0 EGADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000262661288 456051374 /nfs/dbraw/zinc/05/13/74/456051374.db2.gz NSRIBGMGQFBODX-QUCCMNQESA-N 2 0 343.515 3.109 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000262699825 456053257 /nfs/dbraw/zinc/05/32/57/456053257.db2.gz HBCGKJWCNCDDSW-FQEVSTJZSA-N 2 0 331.504 3.196 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1)C(C)C ZINC000296966488 456077963 /nfs/dbraw/zinc/07/79/63/456077963.db2.gz KILYHHTWICUNOK-IHWFROFDSA-N 2 0 343.515 3.272 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1C ZINC000272833091 456084097 /nfs/dbraw/zinc/08/40/97/456084097.db2.gz FOHJCNCJVLIADB-FFZOFVMBSA-N 2 0 346.515 3.422 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000225704065 456104429 /nfs/dbraw/zinc/10/44/29/456104429.db2.gz DYRJVBKATGPLBN-LMMKCTJWSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235498068 456152319 /nfs/dbraw/zinc/15/23/19/456152319.db2.gz LDJGGWLTPHJLJV-SNVBAGLBSA-N 2 0 328.641 3.477 20 0 EGADRP C[C@@H](O)[C@@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000188897500 456164009 /nfs/dbraw/zinc/16/40/09/456164009.db2.gz RMWVDAVUINBDIP-DYESRHJHSA-N 2 0 332.532 3.469 20 0 EGADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000236757243 456180202 /nfs/dbraw/zinc/18/02/02/456180202.db2.gz HRXQCQYYGBGPOO-HZPDHXFCSA-N 2 0 337.533 3.155 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236821765 456188749 /nfs/dbraw/zinc/18/87/49/456188749.db2.gz LKKPTNQFGIFEBJ-LPHOPBHVSA-N 2 0 331.504 3.195 20 0 EGADRP C[C@H](NCc1ncccc1N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289966740 456198699 /nfs/dbraw/zinc/19/86/99/456198699.db2.gz XEQFXEKMJMDEPC-HKUYNNGSSA-N 2 0 338.499 3.148 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000236917617 456201590 /nfs/dbraw/zinc/20/15/90/456201590.db2.gz XTNNHLKZZCMIFT-FQEVSTJZSA-N 2 0 339.483 3.235 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236928499 456202184 /nfs/dbraw/zinc/20/21/84/456202184.db2.gz RAQKYNKNYOQEKB-FUHWJXTLSA-N 2 0 331.504 3.493 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273181729 456203664 /nfs/dbraw/zinc/20/36/64/456203664.db2.gz OLHVMJQSSXLLFZ-IBGZPJMESA-N 2 0 347.547 3.380 20 0 EGADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1C ZINC000273207042 456214954 /nfs/dbraw/zinc/21/49/54/456214954.db2.gz SGSHOURWNNFGBJ-AZUAARDMSA-N 2 0 347.547 3.235 20 0 EGADRP CCCc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2[nH+]1 ZINC000301800034 456217588 /nfs/dbraw/zinc/21/75/88/456217588.db2.gz RUZXPTVUIUBCIP-KRWDZBQOSA-N 2 0 339.483 3.346 20 0 EGADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000237024096 456220368 /nfs/dbraw/zinc/22/03/68/456220368.db2.gz YACWLSNJZKHLPS-JZXOWHBKSA-N 2 0 331.504 3.140 20 0 EGADRP C[C@@H](C[C@H](O)c1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297611633 456263406 /nfs/dbraw/zinc/26/34/06/456263406.db2.gz KQJLGERITNZHGY-JXFKEZNVSA-N 2 0 325.456 3.152 20 0 EGADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000302069770 456279569 /nfs/dbraw/zinc/27/95/69/456279569.db2.gz VKWCROKKOCVZPI-HNNXBMFYSA-N 2 0 326.488 3.153 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CCCCCOc1ccccc1 ZINC000275670368 456280807 /nfs/dbraw/zinc/28/08/07/456280807.db2.gz FUWINISDIWPRGL-IBGZPJMESA-N 2 0 334.504 3.062 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290357965 456304528 /nfs/dbraw/zinc/30/45/28/456304528.db2.gz GOWSNXSWBDQSHJ-IBGZPJMESA-N 2 0 338.499 3.344 20 0 EGADRP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275768759 456308910 /nfs/dbraw/zinc/30/89/10/456308910.db2.gz UQFHIFVMPFXRMR-BWAGFHJFSA-N 2 0 338.495 3.090 20 0 EGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000340208937 456316773 /nfs/dbraw/zinc/31/67/73/456316773.db2.gz ZTIWNPKPBXOHIX-FPOVZHCZSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352838212 456353391 /nfs/dbraw/zinc/35/33/91/456353391.db2.gz JIXWQGIQYMHIKN-SFTDATJTSA-N 2 0 330.516 3.382 20 0 EGADRP COc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000337656179 456462169 /nfs/dbraw/zinc/46/21/69/456462169.db2.gz FNNMYXQQZNJYPB-CALCHBBNSA-N 2 0 332.488 3.016 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(-n2ccnn2)c1 ZINC000348085808 456468363 /nfs/dbraw/zinc/46/83/63/456468363.db2.gz NIJUFRIJYNWSRL-QGZVFWFLSA-N 2 0 327.476 3.040 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000290947401 456476301 /nfs/dbraw/zinc/47/63/01/456476301.db2.gz UQTRJFWBSFPXSH-UHFFFAOYSA-N 2 0 327.476 3.091 20 0 EGADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000340471416 456479326 /nfs/dbraw/zinc/47/93/26/456479326.db2.gz WLOAPTZLOSPJMC-FQEVSTJZSA-N 2 0 326.488 3.293 20 0 EGADRP C[C@H](C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000298613069 456500778 /nfs/dbraw/zinc/50/07/78/456500778.db2.gz OJFQIIMFZZLPFW-KYHPRHEASA-N 2 0 340.471 3.219 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC[N@@H+]1C ZINC000340517255 456503757 /nfs/dbraw/zinc/50/37/57/456503757.db2.gz ZSBBGOPDQOAQQN-HOCLYGCPSA-N 2 0 334.533 3.126 20 0 EGADRP CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000340533822 456515813 /nfs/dbraw/zinc/51/58/13/456515813.db2.gz IDHPKWQROCLCOW-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP COCc1ccccc1/C=C(/C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000353208474 456560619 /nfs/dbraw/zinc/56/06/19/456560619.db2.gz XCQYSOMTNDOJTB-GDLUXTLDSA-N 2 0 346.515 3.327 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000307946237 456571993 /nfs/dbraw/zinc/57/19/93/456571993.db2.gz JDVOUBWPZKFVSM-IRXDYDNUSA-N 2 0 344.421 3.192 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000309993044 456578619 /nfs/dbraw/zinc/57/86/19/456578619.db2.gz KYAGIUIRMUISAW-MRXNPFEDSA-N 2 0 339.524 3.238 20 0 EGADRP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2cnn(C)c2)c1 ZINC000282691985 456593818 /nfs/dbraw/zinc/59/38/18/456593818.db2.gz PJYQXGSBFKLIAE-UHFFFAOYSA-N 2 0 338.499 3.360 20 0 EGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCC(F)(F)CC1 ZINC000353291158 456615931 /nfs/dbraw/zinc/61/59/31/456615931.db2.gz MUAMQIZRHJUQFQ-CQSZACIVSA-N 2 0 341.446 3.326 20 0 EGADRP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)N(C)C)cc1 ZINC000348318218 456619386 /nfs/dbraw/zinc/61/93/86/456619386.db2.gz FMCNKKLCONIDIG-CZAAIQMYSA-N 2 0 345.531 3.149 20 0 EGADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000327632585 456708316 /nfs/dbraw/zinc/70/83/16/456708316.db2.gz ZMUJDJAPXRAEPM-LIRRHRJNSA-N 2 0 341.455 3.031 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000299552813 456726159 /nfs/dbraw/zinc/72/61/59/456726159.db2.gz DLFONFAYNHSCFW-UHFFFAOYSA-N 2 0 331.504 3.085 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277286000 456760248 /nfs/dbraw/zinc/76/02/48/456760248.db2.gz SQRLDMRENMMRPP-ZBFHGGJFSA-N 2 0 335.517 3.152 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000283337938 456761660 /nfs/dbraw/zinc/76/16/60/456761660.db2.gz QACDLKYPGWJHJI-IBGZPJMESA-N 2 0 333.495 3.031 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CS1 ZINC000277306314 456770585 /nfs/dbraw/zinc/77/05/85/456770585.db2.gz SFUUWLDVKQWZQY-ZCNNSNEGSA-N 2 0 348.556 3.263 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745238 456770805 /nfs/dbraw/zinc/77/08/05/456770805.db2.gz RZAODEBTLRCXQI-VQIMIIECSA-N 2 0 347.478 3.127 20 0 EGADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CS1 ZINC000277306300 456771126 /nfs/dbraw/zinc/77/11/26/456771126.db2.gz SFUUWLDVKQWZQY-AQNXPRMDSA-N 2 0 348.556 3.263 20 0 EGADRP CC1CCC(N(C)C(=O)CN(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000353571924 456771376 /nfs/dbraw/zinc/77/13/76/456771376.db2.gz JBPUNNBVLYQQML-UHFFFAOYSA-N 2 0 349.519 3.070 20 0 EGADRP Cc1ccn2c(CN3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cnc2c1 ZINC000353572004 456771652 /nfs/dbraw/zinc/77/16/52/456771652.db2.gz ZMRVRRBZIVLLJB-GOSISDBHSA-N 2 0 334.467 3.349 20 0 EGADRP CCCC[N@H+](CC)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000338350947 456781022 /nfs/dbraw/zinc/78/10/22/456781022.db2.gz QZPQZDCJBUBFOT-UHFFFAOYSA-N 2 0 345.531 3.151 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000348665367 456806522 /nfs/dbraw/zinc/80/65/22/456806522.db2.gz ZINSUZXDRWUVFQ-PXNSSMCTSA-N 2 0 345.531 3.121 20 0 EGADRP COC(=O)c1csc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000353633059 456817204 /nfs/dbraw/zinc/81/72/04/456817204.db2.gz VSWFSDYLYJRHDL-LBPRGKRZSA-N 2 0 342.530 3.013 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292013700 456828971 /nfs/dbraw/zinc/82/89/71/456828971.db2.gz BSGGSSVXCFAOFE-SJORKVTESA-N 2 0 331.504 3.159 20 0 EGADRP CC(C)CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CC1 ZINC000338686546 456853171 /nfs/dbraw/zinc/85/31/71/456853171.db2.gz HWFTZXFJHIBVKY-LJQANCHMSA-N 2 0 330.520 3.138 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000349376113 456956609 /nfs/dbraw/zinc/95/66/09/456956609.db2.gz FBKMXLVCWJZGQS-IAGOWNOFSA-N 2 0 335.561 3.475 20 0 EGADRP CCCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986162 456989815 /nfs/dbraw/zinc/98/98/15/456989815.db2.gz HGCWZTGONNGAAP-MJGOQNOKSA-N 2 0 333.520 3.152 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H](C)C1 ZINC000353988397 456991676 /nfs/dbraw/zinc/99/16/76/456991676.db2.gz VJSDZCTWPWXPHK-MOPGFXCFSA-N 2 0 345.531 3.230 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000354025299 457017590 /nfs/dbraw/zinc/01/75/90/457017590.db2.gz BGGMWAADECUJMQ-UHFFFAOYSA-N 2 0 334.504 3.156 20 0 EGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000349810613 457061748 /nfs/dbraw/zinc/06/17/48/457061748.db2.gz CNOVVHSJAOFZRO-UHFFFAOYSA-N 2 0 333.451 3.078 20 0 EGADRP CC(C)[C@@H](C[NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000339361437 457066398 /nfs/dbraw/zinc/06/63/98/457066398.db2.gz UBBCDJHDCDYCBN-QGZVFWFLSA-N 2 0 328.460 3.421 20 0 EGADRP C[C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000346701182 457118700 /nfs/dbraw/zinc/11/87/00/457118700.db2.gz RGIATWGGPZPMLF-FXAWDEMLSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000349961607 457123114 /nfs/dbraw/zinc/12/31/14/457123114.db2.gz BHGPHMULVRGLPF-SFHVURJKSA-N 2 0 338.536 3.016 20 0 EGADRP c1cc2c(cccc2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)[nH]1 ZINC000359883674 457137596 /nfs/dbraw/zinc/13/75/96/457137596.db2.gz XHPCCZQZUJVCNK-UHFFFAOYSA-N 2 0 327.472 3.102 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)NC1CC[NH+](CC)CC1 ZINC000359953379 457169009 /nfs/dbraw/zinc/16/90/09/457169009.db2.gz WIICMXKCJGTVGW-OAHLLOKOSA-N 2 0 331.504 3.212 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000362966998 457179119 /nfs/dbraw/zinc/17/91/19/457179119.db2.gz ODBUCRMINXEJIA-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356901406 457208550 /nfs/dbraw/zinc/20/85/50/457208550.db2.gz PNIORODZZIKOKX-IEBWSBKVSA-N 2 0 334.504 3.312 20 0 EGADRP CCSc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000339679313 457209001 /nfs/dbraw/zinc/20/90/01/457209001.db2.gz BJGPNOZDZRNRSW-NVXWUHKLSA-N 2 0 349.544 3.037 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCCOC3)CC2)cc1 ZINC000356904424 457210141 /nfs/dbraw/zinc/21/01/41/457210141.db2.gz SYFCDNRZXWEZJZ-PXNSSMCTSA-N 2 0 346.515 3.312 20 0 EGADRP C[C@@H]1CCC[C@@H](C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000350940843 457212044 /nfs/dbraw/zinc/21/20/44/457212044.db2.gz NCLCPKWGXBFQCK-RTBURBONSA-N 2 0 330.520 3.010 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H](C)C2 ZINC000331728644 457241888 /nfs/dbraw/zinc/24/18/88/457241888.db2.gz ZPUBRVUPGDMKJM-VDZJLULYSA-N 2 0 329.488 3.455 20 0 EGADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000331767221 457247339 /nfs/dbraw/zinc/24/73/39/457247339.db2.gz HANAIXIMUDZWJP-OLMNPRSZSA-N 2 0 347.528 3.275 20 0 EGADRP Fc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OC(F)F ZINC000347185990 457277096 /nfs/dbraw/zinc/27/70/96/457277096.db2.gz ZISPIWJMDPPEMF-HNNXBMFYSA-N 2 0 328.378 3.391 20 0 EGADRP C[C@H]1CCCN(C(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000357021732 457283017 /nfs/dbraw/zinc/28/30/17/457283017.db2.gz ZGIPXDPZQPNBOH-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[C@@H]1C[NH+](C/C=C\C[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339812521 457285048 /nfs/dbraw/zinc/28/50/48/457285048.db2.gz KVISGJWIOJPXCO-GGJLBNBESA-N 2 0 338.536 3.036 20 0 EGADRP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357109209 457327726 /nfs/dbraw/zinc/32/77/26/457327726.db2.gz WTHSTDNGQLTWLF-QZTJIDSGSA-N 2 0 332.451 3.067 20 0 EGADRP Cn1nccc1-c1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000352163878 457342265 /nfs/dbraw/zinc/34/22/65/457342265.db2.gz JDMYTPFTWODQEZ-UHFFFAOYSA-N 2 0 326.488 3.440 20 0 EGADRP Cc1cccc(NCC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000357227135 457385459 /nfs/dbraw/zinc/38/54/59/457385459.db2.gz GWZLATFYYZHGQG-AZUAARDMSA-N 2 0 338.499 3.302 20 0 EGADRP CC(C)c1nc(CN2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000363634160 457389390 /nfs/dbraw/zinc/38/93/90/457389390.db2.gz KFAHVIVGZNVAFO-UHFFFAOYSA-N 2 0 337.533 3.201 20 0 EGADRP CC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817164 457414039 /nfs/dbraw/zinc/41/40/39/457414039.db2.gz YNDUQYWQIALTBG-HOTGVXAUSA-N 2 0 328.460 3.380 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000387657847 457432605 /nfs/dbraw/zinc/43/26/05/457432605.db2.gz MJCQUAZOHSGBSE-RBUKOAKNSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000390721204 457439977 /nfs/dbraw/zinc/43/99/77/457439977.db2.gz FPXJDMGPDJLJES-ZIAGYGMSSA-N 2 0 327.513 3.141 20 0 EGADRP Cn1cc(-c2ccc(C[N@H+](CCC[NH3+])CC3CCCC3)s2)cn1 ZINC000352540210 457450910 /nfs/dbraw/zinc/45/09/10/457450910.db2.gz IFWKJGZKWCUCTP-UHFFFAOYSA-N 2 0 332.517 3.490 20 0 EGADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]1Oc1ccccc1 ZINC000342696343 457460863 /nfs/dbraw/zinc/46/08/63/457460863.db2.gz CXQQGEBCJXPORJ-RLLQIKCJSA-N 2 0 346.515 3.059 20 0 EGADRP COC(=O)c1oc([C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000374074332 457468173 /nfs/dbraw/zinc/46/81/73/457468173.db2.gz JXCWVGLVZTUBIM-HNNXBMFYSA-N 2 0 334.460 3.243 20 0 EGADRP C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395230788 457476050 /nfs/dbraw/zinc/47/60/50/457476050.db2.gz VRLYTEUUSZSCPS-TYPHKJRUSA-N 2 0 329.532 3.409 20 0 EGADRP C[C@@H]1C[C@H](C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCO1 ZINC000352624999 457497669 /nfs/dbraw/zinc/49/76/69/457497669.db2.gz ACLMCWCFWJJBGJ-SOAMZJECSA-N 2 0 338.536 3.013 20 0 EGADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000357407188 457501840 /nfs/dbraw/zinc/50/18/40/457501840.db2.gz ZBHRIEYOMNHHLE-LJQANCHMSA-N 2 0 343.515 3.032 20 0 EGADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000342766902 457509885 /nfs/dbraw/zinc/50/98/85/457509885.db2.gz YPPIRFJFOKUZSR-QFBILLFUSA-N 2 0 329.488 3.389 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000400460117 457517231 /nfs/dbraw/zinc/51/72/31/457517231.db2.gz UIHILXHMWCBICO-NVXWUHKLSA-N 2 0 339.524 3.237 20 0 EGADRP Cc1nccn1CCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347579616 457522381 /nfs/dbraw/zinc/52/23/81/457522381.db2.gz JZTNOQPVFGQMQX-ROUUACIJSA-N 2 0 326.488 3.176 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000374241684 457541090 /nfs/dbraw/zinc/54/10/90/457541090.db2.gz OSLDZFYVKWJMHB-RBUKOAKNSA-N 2 0 344.547 3.032 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)N1CC[NH+](C)CC1 ZINC000361174298 457629405 /nfs/dbraw/zinc/62/94/05/457629405.db2.gz WIGGEQHZDQRVMI-ROUUACIJSA-N 2 0 338.499 3.035 20 0 EGADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CCN1C ZINC000370616197 457682243 /nfs/dbraw/zinc/68/22/43/457682243.db2.gz PPBHPBXUSNPDEC-FVQBIDKESA-N 2 0 341.421 3.356 20 0 EGADRP CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OC)cc1 ZINC000370625041 457684782 /nfs/dbraw/zinc/68/47/82/457684782.db2.gz UCJHVCCABPLSER-NQIIRXRSSA-N 2 0 345.531 3.295 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cncs1 ZINC000361340388 457699136 /nfs/dbraw/zinc/69/91/36/457699136.db2.gz DBYHYRZJEHYINW-HNNXBMFYSA-N 2 0 331.485 3.469 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000357813398 457699664 /nfs/dbraw/zinc/69/96/64/457699664.db2.gz GWNLDNDIPUXSAJ-GGPKGHCWSA-N 2 0 343.515 3.203 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370712378 457704593 /nfs/dbraw/zinc/70/45/93/457704593.db2.gz UYMSEHXIRDKXNZ-JXFKEZNVSA-N 2 0 341.499 3.199 20 0 EGADRP CC(C)[NH+](CCCCC[N@@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409233 457721640 /nfs/dbraw/zinc/72/16/40/457721640.db2.gz UFCHNASVGYSJLA-KDURUIRLSA-N 2 0 326.525 3.155 20 0 EGADRP CCn1cccc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1=O ZINC000433088738 457755132 /nfs/dbraw/zinc/75/51/32/457755132.db2.gz MRXCDBNUXSMQOP-LPHOPBHVSA-N 2 0 331.504 3.001 20 0 EGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CC3(CCCC3)c3ccccc32)CC1 ZINC000433146934 457765164 /nfs/dbraw/zinc/76/51/64/457765164.db2.gz BOVOHWYWSNZFMV-UHFFFAOYSA-N 2 0 341.499 3.048 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000433155471 457767299 /nfs/dbraw/zinc/76/72/99/457767299.db2.gz DXPCWGJLYFZZHC-MRXNPFEDSA-N 2 0 339.483 3.220 20 0 EGADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433166517 457767493 /nfs/dbraw/zinc/76/74/93/457767493.db2.gz GAPRHRAXBKIWFG-CQSZACIVSA-N 2 0 337.895 3.063 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000358104795 457789275 /nfs/dbraw/zinc/78/92/75/457789275.db2.gz MYKORJOJNPGISE-NLWGTHIKSA-N 2 0 349.563 3.266 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCS[C@@H](C)CC2)CC1 ZINC000426389470 457819703 /nfs/dbraw/zinc/81/97/03/457819703.db2.gz LNYPCOHTBZSCHX-KRWDZBQOSA-N 2 0 333.545 3.156 20 0 EGADRP NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411215558 457833415 /nfs/dbraw/zinc/83/34/15/457833415.db2.gz HRSHPPCUZNZUEN-SFHVURJKSA-N 2 0 343.515 3.150 20 0 EGADRP FC(F)n1c2ccccc2nc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358174484 457836266 /nfs/dbraw/zinc/83/62/66/457836266.db2.gz XBBWWLLQXBAUGB-UONOGXRCSA-N 2 0 334.414 3.190 20 0 EGADRP Cc1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000444005905 457840039 /nfs/dbraw/zinc/84/00/39/457840039.db2.gz ZBIGYGUAROAXCK-HXUWFJFHSA-N 2 0 344.886 3.375 20 0 EGADRP CC(C)Oc1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371292046 457851249 /nfs/dbraw/zinc/85/12/49/457851249.db2.gz ARZCULMCOFAEDY-MISYRCLQSA-N 2 0 332.488 3.157 20 0 EGADRP C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411295520 457851878 /nfs/dbraw/zinc/85/18/78/457851878.db2.gz QJPCKVFHANVVKV-QZMQVMSPSA-N 2 0 334.529 3.014 20 0 EGADRP CC(C)CCn1cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371332410 457872694 /nfs/dbraw/zinc/87/26/94/457872694.db2.gz PEFGODUYQSFRJM-OAQYLSRUSA-N 2 0 346.563 3.135 20 0 EGADRP CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000361859526 457914009 /nfs/dbraw/zinc/91/40/09/457914009.db2.gz DWLJMFCVZCSDBH-GOSISDBHSA-N 2 0 347.503 3.350 20 0 EGADRP CCc1nc(C)c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1 ZINC000358318596 457930245 /nfs/dbraw/zinc/93/02/45/457930245.db2.gz MNBKBDRPYWIKNW-APHBMKBZSA-N 2 0 337.533 3.042 20 0 EGADRP Cc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361891789 457934525 /nfs/dbraw/zinc/93/45/25/457934525.db2.gz YNGFMNDUXQFKQD-UHOSZYNNSA-N 2 0 328.456 3.122 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427103795 457943528 /nfs/dbraw/zinc/94/35/28/457943528.db2.gz ZBLJGVSOCOZCCO-KDOFPFPSSA-N 2 0 330.863 3.018 20 0 EGADRP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000358339169 457944277 /nfs/dbraw/zinc/94/42/77/457944277.db2.gz XCBGPMYJIRLACH-CYBMUJFWSA-N 2 0 332.366 3.038 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)c2ccccc2C1 ZINC000361908128 457948002 /nfs/dbraw/zinc/94/80/02/457948002.db2.gz NFLJGSMLPHCGLT-DYESRHJHSA-N 2 0 343.515 3.192 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000458157125 457948226 /nfs/dbraw/zinc/94/82/26/457948226.db2.gz CGKXLHPVKDQNJB-GOSISDBHSA-N 2 0 345.531 3.379 20 0 EGADRP Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371469573 457948524 /nfs/dbraw/zinc/94/85/24/457948524.db2.gz FTLQXNJZHPJICI-QKYXUNIQSA-N 2 0 328.456 3.425 20 0 EGADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)c1 ZINC000427541605 457999841 /nfs/dbraw/zinc/99/98/41/457999841.db2.gz QTFKAXHBGSASSV-GOSISDBHSA-N 2 0 340.471 3.407 20 0 EGADRP CCCCOCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427677119 458020699 /nfs/dbraw/zinc/02/06/99/458020699.db2.gz FAMFTXDZPGBTSZ-HDICACEKSA-N 2 0 326.525 3.014 20 0 EGADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358522165 458054363 /nfs/dbraw/zinc/05/43/63/458054363.db2.gz ZJLIBCUMAGJXBN-MRXNPFEDSA-N 2 0 343.515 3.214 20 0 EGADRP Cc1nnc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC000412050021 458069010 /nfs/dbraw/zinc/06/90/10/458069010.db2.gz ZZQXYMYIVBKKQJ-LJQANCHMSA-N 2 0 339.487 3.089 20 0 EGADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908312 458119473 /nfs/dbraw/zinc/11/94/73/458119473.db2.gz VZLRUDITSZEAHW-PMACEKPBSA-N 2 0 333.495 3.377 20 0 EGADRP C[C@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435368294 458120234 /nfs/dbraw/zinc/12/02/34/458120234.db2.gz AIDZHLOFUNOKQC-FZMZJTMJSA-N 2 0 349.276 3.008 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435369410 458120531 /nfs/dbraw/zinc/12/05/31/458120531.db2.gz FFZAWBWGRXAYAQ-CVEARBPZSA-N 2 0 326.488 3.339 20 0 EGADRP C[C@H]([NH2+]CCN1CCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428325739 458121158 /nfs/dbraw/zinc/12/11/58/458121158.db2.gz NTMJXVMSSQLVKP-PKOBYXMFSA-N 2 0 327.516 3.292 20 0 EGADRP COc1ccc(C[C@@H](C)C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1F ZINC000435378652 458128422 /nfs/dbraw/zinc/12/84/22/458128422.db2.gz FOJYUAUALGFQHS-OAHLLOKOSA-N 2 0 334.479 3.477 20 0 EGADRP C[NH2+]C1CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000435389321 458133770 /nfs/dbraw/zinc/13/37/70/458133770.db2.gz KBIZEHWDPLOOCH-UHFFFAOYSA-N 2 0 338.499 3.409 20 0 EGADRP C[NH2+]C[C@H]1CCN(Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435389917 458133790 /nfs/dbraw/zinc/13/37/90/458133790.db2.gz NCSRIUIKMUBMPV-MRXNPFEDSA-N 2 0 331.485 3.072 20 0 EGADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000412229431 458136398 /nfs/dbraw/zinc/13/63/98/458136398.db2.gz JPVDSELUTPAJHY-ROUUACIJSA-N 2 0 343.515 3.227 20 0 EGADRP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435447717 458149821 /nfs/dbraw/zinc/14/98/21/458149821.db2.gz QSDMQFICFGKPFO-CQSZACIVSA-N 2 0 346.393 3.210 20 0 EGADRP CC(C)[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000412283133 458154173 /nfs/dbraw/zinc/15/41/73/458154173.db2.gz HWVPAOYUQCFJMM-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412295990 458158483 /nfs/dbraw/zinc/15/84/83/458158483.db2.gz BGGFIYUZXNAJBW-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP c1csc(CN(CCOc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435689227 458185275 /nfs/dbraw/zinc/18/52/75/458185275.db2.gz XWTYNKVKXIPLTH-QGZVFWFLSA-N 2 0 343.496 3.166 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)CC(C)C ZINC000358744838 458187442 /nfs/dbraw/zinc/18/74/42/458187442.db2.gz NNCWRYVSTOOTLL-UHFFFAOYSA-N 2 0 345.531 3.366 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000428978629 458246109 /nfs/dbraw/zinc/24/61/09/458246109.db2.gz KRULSVWMWSHQBU-LPHOPBHVSA-N 2 0 331.504 3.036 20 0 EGADRP CCn1ccnc1[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459065493 458258042 /nfs/dbraw/zinc/25/80/42/458258042.db2.gz UBPQXGJWSDSZHQ-ULQDDVLXSA-N 2 0 349.523 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000369561685 458267061 /nfs/dbraw/zinc/26/70/61/458267061.db2.gz PFJXAZABLKTSFB-GUDVDZBRSA-N 2 0 332.536 3.404 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ncc(Br)s1 ZINC000447566492 458313052 /nfs/dbraw/zinc/31/30/52/458313052.db2.gz UCGNFPJXQLWJJX-JTQLQIEISA-N 2 0 344.322 3.431 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459324440 458329784 /nfs/dbraw/zinc/32/97/84/458329784.db2.gz KOMRSAJPPJTYEL-IAGOWNOFSA-N 2 0 328.504 3.440 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459324444 458330411 /nfs/dbraw/zinc/33/04/11/458330411.db2.gz KOMRSAJPPJTYEL-SJORKVTESA-N 2 0 328.504 3.440 20 0 EGADRP CCCc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000372985883 458367600 /nfs/dbraw/zinc/36/76/00/458367600.db2.gz ZRZICKLFSSLTFE-OAQYLSRUSA-N 2 0 329.532 3.239 20 0 EGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000448021996 458379907 /nfs/dbraw/zinc/37/99/07/458379907.db2.gz LXEQOZZERPELNX-YJBOKZPZSA-N 2 0 347.503 3.122 20 0 EGADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000448024322 458380544 /nfs/dbraw/zinc/38/05/44/458380544.db2.gz XQWDDTKODDTUMS-CRAIPNDOSA-N 2 0 347.503 3.122 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cnc2n1CCCC2 ZINC000376766796 458386376 /nfs/dbraw/zinc/38/63/76/458386376.db2.gz GLRMYNFZWGDLRM-UHFFFAOYSA-N 2 0 335.455 3.312 20 0 EGADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3N(C)C[C@H]2C)cc1 ZINC000420313445 458398312 /nfs/dbraw/zinc/39/83/12/458398312.db2.gz JCIWQNRHFGNVKV-APWZRJJASA-N 2 0 339.483 3.078 20 0 EGADRP CCC[C@@](C)([NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000376828981 458399455 /nfs/dbraw/zinc/39/94/55/458399455.db2.gz ROGKRYQXLZWGMG-HXUWFJFHSA-N 2 0 343.515 3.019 20 0 EGADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000373202205 458428754 /nfs/dbraw/zinc/42/87/54/458428754.db2.gz HHNCJQLKMDLWAZ-RYGJVYDSSA-N 2 0 334.479 3.492 20 0 EGADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000423441820 458433695 /nfs/dbraw/zinc/43/36/95/458433695.db2.gz WGMRFQDKHSCAPM-OXQOHEQNSA-N 2 0 337.467 3.101 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423454247 458435716 /nfs/dbraw/zinc/43/57/16/458435716.db2.gz BXWMFLWTUWWSKC-SQWLQELKSA-N 2 0 330.476 3.139 20 0 EGADRP CC[C@@H]([NH3+])C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423464445 458436228 /nfs/dbraw/zinc/43/62/28/458436228.db2.gz MAMNKMFAWHSQJJ-CVEARBPZSA-N 2 0 341.293 3.244 20 0 EGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423480411 458439459 /nfs/dbraw/zinc/43/94/59/458439459.db2.gz WBVUKDDJZNIZTC-VNXMGFANSA-N 3 0 341.543 3.394 20 0 EGADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000423527200 458452842 /nfs/dbraw/zinc/45/28/42/458452842.db2.gz LYMJSDWGUDZDJN-HGSOSGBHSA-N 2 0 349.522 3.385 20 0 EGADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423541734 458454769 /nfs/dbraw/zinc/45/47/69/458454769.db2.gz LQCYZWVFJWZLEI-GKLJAUDBSA-N 2 0 335.289 3.414 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423545118 458456032 /nfs/dbraw/zinc/45/60/32/458456032.db2.gz OTVZJXMCEPKTJQ-QKPAOTATSA-N 2 0 346.471 3.120 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n2)cc1F ZINC000430545682 458458592 /nfs/dbraw/zinc/45/85/92/458458592.db2.gz IKXWLMCTAYHFRN-QGZVFWFLSA-N 2 0 348.466 3.422 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000459729238 458459587 /nfs/dbraw/zinc/45/95/87/458459587.db2.gz ITBBXPQHEGKRSR-LJQANCHMSA-N 2 0 347.522 3.154 20 0 EGADRP [NH3+]CCCOC1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000430589472 458467734 /nfs/dbraw/zinc/46/77/34/458467734.db2.gz IBHMKDXKPMYXMV-UHFFFAOYSA-N 2 0 342.483 3.439 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423736159 458477892 /nfs/dbraw/zinc/47/78/92/458477892.db2.gz CVRYKIFLWVNNRY-FXAWDEMLSA-N 2 0 345.531 3.123 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423736016 458478093 /nfs/dbraw/zinc/47/80/93/458478093.db2.gz XZLQBQQDOBEVRJ-JFRXWTBNSA-N 2 0 335.536 3.148 20 0 EGADRP [NH3+]C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000423768619 458480922 /nfs/dbraw/zinc/48/09/22/458480922.db2.gz FIGBQABMFBMPEA-HXUWFJFHSA-N 2 0 337.467 3.006 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423783116 458482603 /nfs/dbraw/zinc/48/26/03/458482603.db2.gz ZYHDKYABGYUDDT-HZPDHXFCSA-N 2 0 339.911 3.083 20 0 EGADRP C[C@H](NC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc2ccccc21 ZINC000430929824 458506157 /nfs/dbraw/zinc/50/61/57/458506157.db2.gz RAKLJONDQRRKJU-ULMVMLMRSA-N 2 0 339.483 3.075 20 0 EGADRP CCCCOc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OC ZINC000430954142 458509438 /nfs/dbraw/zinc/50/94/38/458509438.db2.gz IRIUVMYLVHZZFN-UHFFFAOYSA-N 2 0 332.488 3.450 20 0 EGADRP CCC(CC)(C[NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423909195 458511662 /nfs/dbraw/zinc/51/16/62/458511662.db2.gz UAURGCMCAIJFRZ-MJGOQNOKSA-N 2 0 345.531 3.168 20 0 EGADRP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431088154 458527874 /nfs/dbraw/zinc/52/78/74/458527874.db2.gz CWKNJNVJKBQFRC-JKSUJKDBSA-N 2 0 328.460 3.340 20 0 EGADRP CC(C)C[C@H](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017706 458538187 /nfs/dbraw/zinc/53/81/87/458538187.db2.gz GYDUSIPGHDGOPW-SFHVURJKSA-N 2 0 345.531 3.168 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1)C1CC1 ZINC000424066847 458548930 /nfs/dbraw/zinc/54/89/30/458548930.db2.gz GHVGUIAQWXECTN-FCEWJHQRSA-N 2 0 343.515 3.116 20 0 EGADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+](C)C ZINC000461214157 458552036 /nfs/dbraw/zinc/55/20/36/458552036.db2.gz RQERUNPQNFQPIQ-ZIFCJYIRSA-N 2 0 348.535 3.014 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000493782063 458565130 /nfs/dbraw/zinc/56/51/30/458565130.db2.gz SNQHDWUWYDNFIS-QGZVFWFLSA-N 2 0 339.524 3.098 20 0 EGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424149260 458571385 /nfs/dbraw/zinc/57/13/85/458571385.db2.gz WCOUWJNSVLUUBX-VQTJNVASSA-N 2 0 349.563 3.255 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424159383 458574018 /nfs/dbraw/zinc/57/40/18/458574018.db2.gz SLPLDTQFONGVEK-OALUTQOASA-N 2 0 337.552 3.301 20 0 EGADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000373721670 458583218 /nfs/dbraw/zinc/58/32/18/458583218.db2.gz VQISMXOOMMERGZ-KRWDZBQOSA-N 2 0 347.507 3.014 20 0 EGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438546584 458594644 /nfs/dbraw/zinc/59/46/44/458594644.db2.gz PVYRVCCLEUVSIY-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CCn1c2cccc(F)c2nc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424294419 458606315 /nfs/dbraw/zinc/60/63/15/458606315.db2.gz QFWSSPHMABBYQS-AWEZNQCLSA-N 2 0 330.451 3.159 20 0 EGADRP [NH3+]C[C@H](CN1CCC[N@H+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000424300113 458609288 /nfs/dbraw/zinc/60/92/88/458609288.db2.gz JRIBWLDWGPVVIL-HXUWFJFHSA-N 2 0 347.522 3.456 20 0 EGADRP CN1CC[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000424324368 458616228 /nfs/dbraw/zinc/61/62/28/458616228.db2.gz MAWMQTAPGLRUBR-INIZCTEOSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366954 458626492 /nfs/dbraw/zinc/62/64/92/458626492.db2.gz JYTHEYUOARWRLY-NJZAAPMLSA-N 2 0 343.393 3.282 20 0 EGADRP CCOc1c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)nn1CC(C)C ZINC000424375875 458628048 /nfs/dbraw/zinc/62/80/48/458628048.db2.gz KJCRDUYAWIWUBR-INIZCTEOSA-N 2 0 348.535 3.210 20 0 EGADRP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000462680035 458641835 /nfs/dbraw/zinc/64/18/35/458641835.db2.gz IPRCAKHDMUCPMS-WIYYLYMNSA-N 2 0 329.532 3.492 20 0 EGADRP COc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000470997604 458674654 /nfs/dbraw/zinc/67/46/54/458674654.db2.gz MVVKZZZHYBEYSX-OYRHEFFESA-N 2 0 336.479 3.302 20 0 EGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463237027 458685265 /nfs/dbraw/zinc/68/52/65/458685265.db2.gz KWQYYMNJYGECHI-NRFANRHFSA-N 2 0 343.559 3.404 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000471595310 458702445 /nfs/dbraw/zinc/70/24/45/458702445.db2.gz SQFOQRISLJVKKZ-JKSUJKDBSA-N 2 0 335.561 3.304 20 0 EGADRP C[C@@H](C[NH2+]Cc1csc(Cl)c1Cl)CN1CC[NH+](C)CC1 ZINC000432246875 458704014 /nfs/dbraw/zinc/70/40/14/458704014.db2.gz PPNANXUCQANXSS-NSHDSACASA-N 2 0 336.332 3.028 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000503492487 458711225 /nfs/dbraw/zinc/71/12/25/458711225.db2.gz VLROXTWWBMKGPW-IBGZPJMESA-N 2 0 331.504 3.429 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000530211685 458718259 /nfs/dbraw/zinc/71/82/59/458718259.db2.gz NXWYUSJIMFVMFQ-IAGOWNOFSA-N 2 0 332.492 3.252 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C(C)C)cc1 ZINC000432421137 458737613 /nfs/dbraw/zinc/73/76/13/458737613.db2.gz NYNOVUWWIAKPCF-PXNSSMCTSA-N 2 0 334.504 3.483 20 0 EGADRP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2c1C ZINC000547436111 458738400 /nfs/dbraw/zinc/73/84/00/458738400.db2.gz VTAHHDCLEVSPMR-RTWAWAEBSA-N 2 0 341.499 3.252 20 0 EGADRP C[N@H+](CCCNC(=O)C1CCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC000432794257 458788013 /nfs/dbraw/zinc/78/80/13/458788013.db2.gz AIWMQTPBTXNUJY-UHFFFAOYSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H](CCCC(F)(F)F)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000547840185 458803535 /nfs/dbraw/zinc/80/35/35/458803535.db2.gz WWZJKVCZSOJULJ-ZDUSSCGKSA-N 2 0 330.398 3.366 20 0 EGADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H]1C ZINC000474479921 458888680 /nfs/dbraw/zinc/88/86/80/458888680.db2.gz TUNIFJWKCAIJPT-GFEQUFNTSA-N 2 0 338.536 3.312 20 0 EGADRP Cc1nccn1-c1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1F ZINC000518779460 458893421 /nfs/dbraw/zinc/89/34/21/458893421.db2.gz SZCOURAEESYCPZ-UHFFFAOYSA-N 2 0 335.386 3.486 20 0 EGADRP C[C@H]1CCN(CC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495746828 458938536 /nfs/dbraw/zinc/93/85/36/458938536.db2.gz DYFCRVWHKWJROL-GTPINHCMSA-N 2 0 339.524 3.001 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000467194111 458957464 /nfs/dbraw/zinc/95/74/64/458957464.db2.gz GHSDHOVOINRWEO-RBUKOAKNSA-N 2 0 338.536 3.301 20 0 EGADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556891676 459028750 /nfs/dbraw/zinc/02/87/50/459028750.db2.gz FEOOABNRAJHRRY-HSROGRKHSA-N 2 0 330.516 3.426 20 0 EGADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000442758489 459031313 /nfs/dbraw/zinc/03/13/13/459031313.db2.gz IUFMZCYUSKEFRO-SJORKVTESA-N 2 0 337.467 3.351 20 0 EGADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566985350 459031932 /nfs/dbraw/zinc/03/19/32/459031932.db2.gz GMDNOGNJKVRRLR-AABGKKOBSA-N 2 0 329.532 3.319 20 0 EGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000442787797 459035945 /nfs/dbraw/zinc/03/59/45/459035945.db2.gz DPCILXPREVTPHM-MDZRGWNJSA-N 2 0 331.504 3.051 20 0 EGADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000567048732 459039230 /nfs/dbraw/zinc/03/92/30/459039230.db2.gz PEYAHZXSLOFYCL-HZPDHXFCSA-N 2 0 326.488 3.441 20 0 EGADRP Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[NH+](C)C)cc1 ZINC000557052073 459046631 /nfs/dbraw/zinc/04/66/31/459046631.db2.gz OLRPHVVLSHDWEO-IBGZPJMESA-N 2 0 338.455 3.023 20 0 EGADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442890518 459055337 /nfs/dbraw/zinc/05/53/37/459055337.db2.gz OMFIZUXASOVQJO-DNVCBOLYSA-N 2 0 333.495 3.065 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000442927969 459061847 /nfs/dbraw/zinc/06/18/47/459061847.db2.gz OVOUYMKFLATVLY-CQSZACIVSA-N 2 0 332.879 3.301 20 0 EGADRP CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999356 459065103 /nfs/dbraw/zinc/06/51/03/459065103.db2.gz BNWFXQUQPXBSEU-PXNSSMCTSA-N 2 0 345.531 3.265 20 0 EGADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058291 459079902 /nfs/dbraw/zinc/07/99/02/459079902.db2.gz JWTXZNFDJFGAHC-STQMWFEESA-N 2 0 343.393 3.093 20 0 EGADRP C[NH+](C)CC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000590125462 459089044 /nfs/dbraw/zinc/08/90/44/459089044.db2.gz SVIYBNDVHOWHDR-UHFFFAOYSA-N 2 0 330.394 3.401 20 0 EGADRP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)c2ccccc2)CC1 ZINC000521204783 459130436 /nfs/dbraw/zinc/13/04/36/459130436.db2.gz UBVIKFGWSJMVDX-RJGXRXQPSA-N 2 0 349.522 3.368 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000521267064 459137679 /nfs/dbraw/zinc/13/76/79/459137679.db2.gz LEVTYAXNBCZZFY-UHFFFAOYSA-N 2 0 343.515 3.021 20 0 EGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000567678537 459143930 /nfs/dbraw/zinc/14/39/30/459143930.db2.gz VJYJJNATKOXEMJ-LPHOPBHVSA-N 2 0 338.923 3.345 20 0 EGADRP CC(C)C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000578130138 459151160 /nfs/dbraw/zinc/15/11/60/459151160.db2.gz UAUGXTCJWINYQT-YTQUADARSA-N 2 0 331.504 3.010 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c(C)c1OC ZINC000521437009 459153231 /nfs/dbraw/zinc/15/32/31/459153231.db2.gz HVKIXFAKSIESSS-CQSZACIVSA-N 2 0 328.456 3.192 20 0 EGADRP CC(C)N(C)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000578146914 459153537 /nfs/dbraw/zinc/15/35/37/459153537.db2.gz INZJLIAARGRTFB-AWEZNQCLSA-N 2 0 325.294 3.236 20 0 EGADRP Cc1cccc2nc(N(CCC[NH+](C)C)CCC[NH+](C)C)sc21 ZINC000480051901 459180519 /nfs/dbraw/zinc/18/05/19/459180519.db2.gz AUNXVZWEGNJXDS-UHFFFAOYSA-N 2 0 334.533 3.315 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558619474 459181715 /nfs/dbraw/zinc/18/17/15/459181715.db2.gz UEDHGZYBGDTDQV-DFQSSKMNSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480147703 459185815 /nfs/dbraw/zinc/18/58/15/459185815.db2.gz WFZUQCBXOUUOFC-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000496479750 459207514 /nfs/dbraw/zinc/20/75/14/459207514.db2.gz YNOKYSCEHSPWEF-HUUCEWRRSA-N 2 0 339.524 3.285 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000578497217 459210342 /nfs/dbraw/zinc/21/03/42/459210342.db2.gz FORDQVVKKOMZOC-LBPRGKRZSA-N 2 0 343.393 3.012 20 0 EGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480702324 459213649 /nfs/dbraw/zinc/21/36/49/459213649.db2.gz VOZXXECGMGBTSY-QZTJIDSGSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786738 459218134 /nfs/dbraw/zinc/21/81/34/459218134.db2.gz KVSVWWRBDBJWPF-UHFFFAOYSA-N 2 0 345.531 3.006 20 0 EGADRP Cc1nc2ccccc2nc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590818859 459232389 /nfs/dbraw/zinc/23/23/89/459232389.db2.gz BCJRTRHOBAWASZ-UHFFFAOYSA-N 2 0 326.488 3.490 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1)NC(=O)OC(C)(C)C ZINC000496558393 459238004 /nfs/dbraw/zinc/23/80/04/459238004.db2.gz HRKXOJTYENAUMX-KBPBESRZSA-N 2 0 332.448 3.116 20 0 EGADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000595100850 459245909 /nfs/dbraw/zinc/24/59/09/459245909.db2.gz BBZVHYYMZJCQRN-WNSKOXEYSA-N 2 0 334.529 3.197 20 0 EGADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496607767 459257262 /nfs/dbraw/zinc/25/72/62/459257262.db2.gz RORHVOJMGCLUBA-KRWDZBQOSA-N 2 0 333.476 3.018 20 0 EGADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568249310 459258466 /nfs/dbraw/zinc/25/84/66/459258466.db2.gz NLNBEXATICNCFI-LSDHHAIUSA-N 2 0 341.293 3.250 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481730824 459271470 /nfs/dbraw/zinc/27/14/70/459271470.db2.gz DIUKIYVJNLTPLJ-WIYYLYMNSA-N 3 0 329.532 3.492 20 0 EGADRP Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@@H](c2nccn2C)C1 ZINC000533866379 459274888 /nfs/dbraw/zinc/27/48/88/459274888.db2.gz CEZZERRQGMYGND-MRXNPFEDSA-N 2 0 340.471 3.280 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000496670372 459280042 /nfs/dbraw/zinc/28/00/42/459280042.db2.gz AZHPHQMPLYGODZ-RCCFBDPRSA-N 2 0 345.487 3.018 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000523296747 459288475 /nfs/dbraw/zinc/28/84/75/459288475.db2.gz IBOIFAJKKVCWKD-JXAWBTAJSA-N 2 0 336.483 3.027 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496719214 459299284 /nfs/dbraw/zinc/29/92/84/459299284.db2.gz UDPHLCYZIULVMS-IKGGRYGDSA-N 2 0 339.524 3.096 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000482540076 459313304 /nfs/dbraw/zinc/31/33/04/459313304.db2.gz CFZFPNVVAGQCKR-VXKWHMMOSA-N 2 0 343.559 3.405 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000560336470 459324532 /nfs/dbraw/zinc/32/45/32/459324532.db2.gz GOSJVYBHLWSFET-QGZVFWFLSA-N 2 0 343.515 3.016 20 0 EGADRP C[C@H]1C[C@H](C[NH2+]CCC[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000496827215 459337564 /nfs/dbraw/zinc/33/75/64/459337564.db2.gz JBBZZXMRWOYMMG-DLBZAZTESA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000496876873 459355621 /nfs/dbraw/zinc/35/56/21/459355621.db2.gz SNMALCSEKUKAKZ-OAHLLOKOSA-N 2 0 339.524 3.144 20 0 EGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000568888759 459361610 /nfs/dbraw/zinc/36/16/10/459361610.db2.gz CLHJFFBXWHLGJN-MRXNPFEDSA-N 2 0 344.528 3.017 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)C[NH+]1CCCCCC1)C(C)C ZINC000483617945 459377325 /nfs/dbraw/zinc/37/73/25/459377325.db2.gz SKLXHDVQCADAOI-GOSISDBHSA-N 2 0 340.556 3.011 20 0 EGADRP COc1cc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)ccn1 ZINC000582569252 459386962 /nfs/dbraw/zinc/38/69/62/459386962.db2.gz NGVDZZWNIFJOGP-INIZCTEOSA-N 2 0 343.471 3.272 20 0 EGADRP [NH3+]C1(c2noc([C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)n2)CCCCC1 ZINC000582730961 459418124 /nfs/dbraw/zinc/41/81/24/459418124.db2.gz PMGYOZJHNVYBDY-LSDHHAIUSA-N 2 0 346.862 3.312 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000582837108 459435659 /nfs/dbraw/zinc/43/56/59/459435659.db2.gz HMQCJZVZFFPORP-IBGZPJMESA-N 2 0 338.923 3.296 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497121154 459448517 /nfs/dbraw/zinc/44/85/17/459448517.db2.gz WJMDGWMZICUPKC-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469094 459457281 /nfs/dbraw/zinc/45/72/81/459457281.db2.gz NBYWKOLKHBTJHZ-PMACEKPBSA-N 2 0 348.437 3.151 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000583013437 459466833 /nfs/dbraw/zinc/46/68/33/459466833.db2.gz ZYEJKAIBWQDGHE-WBVHZDCISA-N 2 0 344.503 3.181 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000486248903 459495592 /nfs/dbraw/zinc/49/55/92/459495592.db2.gz HNQARBGQWCUCEK-ZIFCJYIRSA-N 2 0 345.531 3.210 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000583629363 459571563 /nfs/dbraw/zinc/57/15/63/459571563.db2.gz DKGBMQNJNZBFHZ-SJLPKXTDSA-N 2 0 333.520 3.339 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000572921078 459594728 /nfs/dbraw/zinc/59/47/28/459594728.db2.gz ZCOJDTVYJLDCHP-OSJSJHBBSA-N 2 0 338.442 3.411 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC[C@](C)(O)C(F)(F)F)[C@H]1c1cccs1 ZINC000583867304 459609640 /nfs/dbraw/zinc/60/96/40/459609640.db2.gz ZHNOVLPWRQVJGH-XBFCOCLRSA-N 2 0 336.423 3.034 20 0 EGADRP c1cc(C2CCCC2)ccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000583986914 459630038 /nfs/dbraw/zinc/63/00/38/459630038.db2.gz PKHLJILNHNGMOH-IBGZPJMESA-N 2 0 328.500 3.498 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000562747998 459640401 /nfs/dbraw/zinc/64/04/01/459640401.db2.gz DNYUTWAVMHCQCV-HFZWIWRYSA-N 2 0 336.863 3.107 20 0 EGADRP Cc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccn1 ZINC000527532944 459657582 /nfs/dbraw/zinc/65/75/82/459657582.db2.gz FIZOQNZJRRECNY-HDICACEKSA-N 2 0 331.504 3.101 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000500424385 459679025 /nfs/dbraw/zinc/67/90/25/459679025.db2.gz VGOWGWYPUWBUOK-RTWAWAEBSA-N 2 0 346.515 3.115 20 0 EGADRP COc1ccc(C[C@@H]2CCC[N@H+](CCCc3cncn3C)C2)cc1 ZINC000584239920 459689072 /nfs/dbraw/zinc/68/90/72/459689072.db2.gz QKOOXWHMLSJKSB-SFHVURJKSA-N 2 0 327.472 3.316 20 0 EGADRP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000527676667 459696814 /nfs/dbraw/zinc/69/68/14/459696814.db2.gz UHEHFTNATFFNMS-HOTGVXAUSA-N 2 0 332.479 3.415 20 0 EGADRP COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000596639261 459709549 /nfs/dbraw/zinc/70/95/49/459709549.db2.gz ORIDZPUATGSUBO-KGLIPLIRSA-N 2 0 326.387 3.013 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CC[C@H](C)C1 ZINC000584433326 459736314 /nfs/dbraw/zinc/73/63/14/459736314.db2.gz VUQCYBUJZHJRLQ-QWHCGFSZSA-N 2 0 343.284 3.451 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527854808 459759896 /nfs/dbraw/zinc/75/98/96/459759896.db2.gz XEDAOPWWHGHXSG-FZKQIMNGSA-N 2 0 339.886 3.082 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544577606 459769550 /nfs/dbraw/zinc/76/95/50/459769550.db2.gz LKFQBOAQRAQVLA-OXAFFQKASA-N 2 0 333.564 3.209 20 0 EGADRP Cc1cc(CN2CC[C@H]([NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017199 459794108 /nfs/dbraw/zinc/79/41/08/459794108.db2.gz ACJOVFGYGQTISW-CJNGLKHVSA-N 2 0 330.863 3.417 20 0 EGADRP C[C@](O)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000566088616 459803607 /nfs/dbraw/zinc/80/36/07/459803607.db2.gz JQVGGUUMFFBJOX-JBACZVJFSA-N 2 0 344.499 3.163 20 0 EGADRP Cc1cc(CN2CCC[C@@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574323839 459805959 /nfs/dbraw/zinc/80/59/59/459805959.db2.gz MMEJGZMXMMFVSA-AWEZNQCLSA-N 2 0 330.863 3.276 20 0 EGADRP CN1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000566116979 459808862 /nfs/dbraw/zinc/80/88/62/459808862.db2.gz RKJYTYMFLUQIRP-MBNYWOFBSA-N 2 0 336.423 3.034 20 0 EGADRP OC[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000574630335 459844050 /nfs/dbraw/zinc/84/40/50/459844050.db2.gz STNDYIYNLPPULR-CUWPLCDZSA-N 2 0 344.499 3.021 20 0 EGADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000575106094 459927482 /nfs/dbraw/zinc/92/74/82/459927482.db2.gz UNYIFJMIQDXCQJ-GXTWGEPZSA-N 2 0 343.393 3.154 20 0 EGADRP c1[nH]c2nccnc2c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575962389 460040257 /nfs/dbraw/zinc/04/02/57/460040257.db2.gz BDLYPTSMXJNWRC-SFHVURJKSA-N 2 0 349.482 3.301 20 0 EGADRP C[C@H]([NH2+]CCOc1ccc2cc(Br)ccc2c1)C1C[NH2+]C1 ZINC000575980088 460044867 /nfs/dbraw/zinc/04/48/67/460044867.db2.gz MLPWZTWELZLZML-LBPRGKRZSA-N 2 0 349.272 3.179 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)c2ccccc21 ZINC000621750348 460048369 /nfs/dbraw/zinc/04/83/69/460048369.db2.gz NREWLZDSBCSHIP-LPHOPBHVSA-N 2 0 329.488 3.196 20 0 EGADRP CCCC[NH+]1CCC(NCc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000598963673 460105701 /nfs/dbraw/zinc/10/57/01/460105701.db2.gz NKMSZOUXLUXQEL-UHFFFAOYSA-N 2 0 335.492 3.162 20 0 EGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000618665360 460118062 /nfs/dbraw/zinc/11/80/62/460118062.db2.gz ZVRIWWSEBWKPLB-QZTJIDSGSA-N 2 0 347.547 3.164 20 0 EGADRP Cc1ccc2[nH]c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc2c1C ZINC000576354001 460123943 /nfs/dbraw/zinc/12/39/43/460123943.db2.gz LVEXNFOVHAJKIN-UHFFFAOYSA-N 2 0 330.520 3.100 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402212 460134254 /nfs/dbraw/zinc/13/42/54/460134254.db2.gz CLVRFKHDSSSAPT-SFHVURJKSA-N 2 0 335.561 3.296 20 0 EGADRP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000599047196 460139214 /nfs/dbraw/zinc/13/92/14/460139214.db2.gz YYAVPIGQZLRZLD-FAFZWHIHSA-N 2 0 336.520 3.495 20 0 EGADRP COC(=O)CCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000599308269 460223009 /nfs/dbraw/zinc/22/30/09/460223009.db2.gz SPTGXGCLXHRBMR-NRFANRHFSA-N 2 0 344.499 3.318 20 0 EGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622394611 460257804 /nfs/dbraw/zinc/25/78/04/460257804.db2.gz ORSSWWUBFCOUQZ-IEBWSBKVSA-N 2 0 335.536 3.116 20 0 EGADRP CCCc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000622855793 460336113 /nfs/dbraw/zinc/33/61/13/460336113.db2.gz GSFPWSYSTXNHMI-UHFFFAOYSA-N 2 0 329.532 3.287 20 0 EGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000623064918 460401799 /nfs/dbraw/zinc/40/17/99/460401799.db2.gz JTLXSAQDZZWGKS-PKOBYXMFSA-N 2 0 344.503 3.134 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ncccc32)[C@@H](C)C1 ZINC000631580156 460455095 /nfs/dbraw/zinc/45/50/95/460455095.db2.gz DIGBCTWWXLPSRD-XKGZKEIXSA-N 2 0 331.504 3.186 20 0 EGADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000631582301 460456048 /nfs/dbraw/zinc/45/60/48/460456048.db2.gz ZWJSJUOOZAWDIS-MJGOQNOKSA-N 2 0 343.515 3.316 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000634688453 460478111 /nfs/dbraw/zinc/47/81/11/460478111.db2.gz SSNLOVUGYSQKHO-UXPWSPDFSA-N 2 0 325.456 3.096 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623412637 460534631 /nfs/dbraw/zinc/53/46/31/460534631.db2.gz UKKCCQWSBIZVNC-ZDUSSCGKSA-N 2 0 336.423 3.093 20 0 EGADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000631749471 460544229 /nfs/dbraw/zinc/54/42/29/460544229.db2.gz QULLRGIWYVZVLK-OAQYLSRUSA-N 2 0 327.516 3.033 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)C3(C[NH+](C)C)CC3)cc2)CC1 ZINC000635342204 460749740 /nfs/dbraw/zinc/74/97/40/460749740.db2.gz BVWWNBIPQBSKAD-UHFFFAOYSA-N 2 0 329.488 3.199 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)cc1 ZINC000606916836 460761485 /nfs/dbraw/zinc/76/14/85/460761485.db2.gz LBYHRTUVOUJDOY-HXUWFJFHSA-N 2 0 334.504 3.048 20 0 EGADRP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000623893219 460764916 /nfs/dbraw/zinc/76/49/16/460764916.db2.gz JHUCAVLRJGGMAN-PMACEKPBSA-N 2 0 329.532 3.156 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000629537663 460798993 /nfs/dbraw/zinc/79/89/93/460798993.db2.gz KKUQRDNCGKFVAI-UYAOXDASSA-N 2 0 331.504 3.232 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543859 460802212 /nfs/dbraw/zinc/80/22/12/460802212.db2.gz FYPWTLYYQFJLQQ-NOLJZWGESA-N 2 0 325.859 3.165 20 0 EGADRP Brc1ccc(S[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000629546350 460803257 /nfs/dbraw/zinc/80/32/57/460803257.db2.gz CJUNNNLHAYHTSC-SWLSCSKDSA-N 2 0 341.318 3.225 20 0 EGADRP O[C@@H](C[NH2+]C[C@H](Cc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000629564002 460811561 /nfs/dbraw/zinc/81/15/61/460811561.db2.gz JANUFPWVOLUCGT-VXKWHMMOSA-N 2 0 338.495 3.059 20 0 EGADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635788541 460924215 /nfs/dbraw/zinc/92/42/15/460924215.db2.gz CNJHWDKSMSTSHL-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000635849991 460948820 /nfs/dbraw/zinc/94/88/20/460948820.db2.gz SPPMSKNURMUEKT-LJQANCHMSA-N 2 0 329.488 3.484 20 0 EGADRP Cc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000628292951 461076857 /nfs/dbraw/zinc/07/68/57/461076857.db2.gz CUAXRPZHKFZIAK-UHFFFAOYSA-N 2 0 325.456 3.471 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000652348773 461142921 /nfs/dbraw/zinc/14/29/21/461142921.db2.gz QVMSIGAAGRQFRG-RCCFBDPRSA-N 2 0 341.455 3.060 20 0 EGADRP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350123 461144875 /nfs/dbraw/zinc/14/48/75/461144875.db2.gz HBDPLKWDKCBXIL-QANKJYHBSA-N 2 0 338.879 3.067 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccccc2OCCCCO)CC1 ZINC000637958237 461153259 /nfs/dbraw/zinc/15/32/59/461153259.db2.gz NIMUMLNNFCWYFQ-UHFFFAOYSA-N 2 0 348.531 3.390 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169746 461154827 /nfs/dbraw/zinc/15/48/27/461154827.db2.gz YTFOJPQHLNBQNZ-YLJYHZDGSA-N 2 0 346.515 3.264 20 0 EGADRP CCc1nocc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270815 461159288 /nfs/dbraw/zinc/15/92/88/461159288.db2.gz OPNXJAUBRCUWLB-PXNSSMCTSA-N 2 0 327.472 3.409 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000662281284 461162635 /nfs/dbraw/zinc/16/26/35/461162635.db2.gz MFWVSAYORKSMBZ-QFUCXCTJSA-N 2 0 328.500 3.325 20 0 EGADRP CC(C)(C)[C@@H]([NH3+])c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179491 461167440 /nfs/dbraw/zinc/16/74/40/461167440.db2.gz NDQJOPAAAFMGFN-IBGZPJMESA-N 2 0 341.503 3.358 20 0 EGADRP CCN(C(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662290294 461168390 /nfs/dbraw/zinc/16/83/90/461168390.db2.gz BXQUKUHRJBKHMJ-IEBWSBKVSA-N 2 0 343.515 3.140 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@H](c2nccn2C)C2CC2)C1 ZINC000637980733 461169086 /nfs/dbraw/zinc/16/90/86/461169086.db2.gz ZVJWXQDNHZFNQK-LMMKCTJWSA-N 2 0 330.520 3.458 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980734 461169450 /nfs/dbraw/zinc/16/94/50/461169450.db2.gz ZVJWXQDNHZFNQK-ZHALLVOQSA-N 2 0 330.520 3.458 20 0 EGADRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](c3nccn3C)C3CC3)C2)[nH+]1 ZINC000638008331 461193792 /nfs/dbraw/zinc/19/37/92/461193792.db2.gz YYIKUGLOJVPXAG-CRAIPNDOSA-N 2 0 325.460 3.009 20 0 EGADRP Fc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327440 461195063 /nfs/dbraw/zinc/19/50/63/461195063.db2.gz JINHVZGTPKFEDI-UHFFFAOYSA-N 2 0 342.462 3.395 20 0 EGADRP CO[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000638023468 461204312 /nfs/dbraw/zinc/20/43/12/461204312.db2.gz NYCZDDUFMKZTDB-ICSRJNTNSA-N 2 0 338.536 3.016 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603270 461212343 /nfs/dbraw/zinc/21/23/43/461212343.db2.gz DIMHHNFHCGIKSL-INIZCTEOSA-N 2 0 344.528 3.153 20 0 EGADRP CC(C)[NH2+]CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000662372014 461217806 /nfs/dbraw/zinc/21/78/06/461217806.db2.gz RELUHYJLQQMKPK-UHFFFAOYSA-N 2 0 339.483 3.029 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000659247458 461247591 /nfs/dbraw/zinc/24/75/91/461247591.db2.gz XQWVNYBGNROGBQ-LKUPVBHCSA-N 2 0 349.478 3.173 20 0 EGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662462089 461253123 /nfs/dbraw/zinc/25/31/23/461253123.db2.gz GQOWNYTVNZZFBN-INIZCTEOSA-N 2 0 349.478 3.245 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446389 461254627 /nfs/dbraw/zinc/25/46/27/461254627.db2.gz RATSKTTYZHZQBM-TZIWHRDSSA-N 2 0 341.499 3.391 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000633953230 461351176 /nfs/dbraw/zinc/35/11/76/461351176.db2.gz AAKZUSKEPUBTIO-GOSISDBHSA-N 2 0 335.536 3.118 20 0 EGADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000638313135 461359916 /nfs/dbraw/zinc/35/99/16/461359916.db2.gz PUYPWFQKNXOGBE-FXAWDEMLSA-N 2 0 343.515 3.209 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000638455950 461438351 /nfs/dbraw/zinc/43/83/51/461438351.db2.gz YMYWEAHLSHLXJS-UHFFFAOYSA-N 2 0 349.906 3.189 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638484518 461450477 /nfs/dbraw/zinc/45/04/77/461450477.db2.gz YNRSQLHMJMFMFC-ZWKOTPCHSA-N 2 0 338.536 3.203 20 0 EGADRP CC(C)CNC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000659878874 461478971 /nfs/dbraw/zinc/47/89/71/461478971.db2.gz RIXVEJVAJSPKHD-LJQANCHMSA-N 2 0 337.552 3.127 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631040289 461491305 /nfs/dbraw/zinc/49/13/05/461491305.db2.gz AHIIUTGMJBEHNC-MRXNPFEDSA-N 2 0 329.463 3.095 20 0 EGADRP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[N@@H+](CC4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638583032 461493355 /nfs/dbraw/zinc/49/33/55/461493355.db2.gz WWQAGEHOFNEIPN-SJBKTWHCSA-N 2 0 339.527 3.428 20 0 EGADRP C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587424 461495569 /nfs/dbraw/zinc/49/55/69/461495569.db2.gz CKXMLQISTJQCFT-SLYNCCJLSA-N 2 0 327.516 3.286 20 0 EGADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)CC1 ZINC000631043226 461496918 /nfs/dbraw/zinc/49/69/18/461496918.db2.gz OURXECDYHYNABQ-UHFFFAOYSA-N 2 0 325.456 3.309 20 0 EGADRP COc1cc2[nH+]ccc(N3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)c2cc1OC ZINC000663243187 461524519 /nfs/dbraw/zinc/52/45/19/461524519.db2.gz YCYUTBPRZYTSFH-MCIONIFRSA-N 2 0 329.444 3.062 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2Sc3ccccc3NC2=O)C[C@H]1C ZINC000659983091 461527867 /nfs/dbraw/zinc/52/78/67/461527867.db2.gz DEUGCNLBZXLAAI-VKJFTORMSA-N 2 0 347.528 3.294 20 0 EGADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000638706546 461545477 /nfs/dbraw/zinc/54/54/77/461545477.db2.gz GKLWBBRHDGOQPV-VELGLUOQSA-N 2 0 327.516 3.427 20 0 EGADRP CC(C)c1cccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000663315454 461553594 /nfs/dbraw/zinc/55/35/94/461553594.db2.gz WIKDJPACNFOVLV-UHFFFAOYSA-N 2 0 338.499 3.247 20 0 EGADRP CC(C)c1cccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000663319384 461556286 /nfs/dbraw/zinc/55/62/86/461556286.db2.gz AFLJOIUZWDIFQK-UHFFFAOYSA-N 2 0 327.472 3.435 20 0 EGADRP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663344404 461572067 /nfs/dbraw/zinc/57/20/67/461572067.db2.gz SWQDXXNWVOYCRL-OAHLLOKOSA-N 2 0 330.501 3.350 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663357934 461586095 /nfs/dbraw/zinc/58/60/95/461586095.db2.gz ZYLDMLBCHSIZED-OALUTQOASA-N 2 0 345.531 3.387 20 0 EGADRP Brc1cnccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000631144864 461589272 /nfs/dbraw/zinc/58/92/72/461589272.db2.gz ULGYWXBBFDDHBV-UHFFFAOYSA-N 2 0 326.282 3.200 20 0 EGADRP C[C@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC[NH2+]C1 ZINC000653252995 461591758 /nfs/dbraw/zinc/59/17/58/461591758.db2.gz BWXOWFLMDMDIKK-IBGZPJMESA-N 2 0 347.528 3.203 20 0 EGADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638862348 461625832 /nfs/dbraw/zinc/62/58/32/461625832.db2.gz SSCRRRUPKWRICV-MSOLQXFVSA-N 2 0 335.536 3.151 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1Br ZINC000656197338 461642558 /nfs/dbraw/zinc/64/25/58/461642558.db2.gz ZXOHZDXWQPAZRC-FRRDWIJNSA-N 2 0 327.266 3.076 20 0 EGADRP Cc1cnc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000656200130 461643915 /nfs/dbraw/zinc/64/39/15/461643915.db2.gz JZOWMWKDRVQCTR-FPOVZHCZSA-N 2 0 337.467 3.086 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000663466255 461654735 /nfs/dbraw/zinc/65/47/35/461654735.db2.gz QDTUWYIUWYBWBO-FUHWJXTLSA-N 2 0 343.515 3.161 20 0 EGADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469585 461659857 /nfs/dbraw/zinc/65/98/57/461659857.db2.gz QVAFOJOKBNMSPE-WBVHZDCISA-N 2 0 347.478 3.254 20 0 EGADRP CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000663471743 461661655 /nfs/dbraw/zinc/66/16/55/461661655.db2.gz WKFLCPLIDYCILW-HMXCVIKNSA-N 2 0 338.499 3.293 20 0 EGADRP CC(C)[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000639093081 461721506 /nfs/dbraw/zinc/72/15/06/461721506.db2.gz HVOFKEKMUOYRSW-LJQANCHMSA-N 2 0 332.532 3.326 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455435 461732903 /nfs/dbraw/zinc/73/29/03/461732903.db2.gz HKHRBIYNBLRKOX-ZFWWWQNUSA-N 2 0 329.410 3.391 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000647494424 461735297 /nfs/dbraw/zinc/73/52/97/461735297.db2.gz BHGIPAHQJWECHA-UHFFFAOYSA-N 2 0 332.879 3.016 20 0 EGADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000643527870 461751834 /nfs/dbraw/zinc/75/18/34/461751834.db2.gz UPADQOITIXITHB-BDAKNGLRSA-N 2 0 337.773 3.013 20 0 EGADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000647543503 461756722 /nfs/dbraw/zinc/75/67/22/461756722.db2.gz OKRCDKNFSWSMOG-HZPDHXFCSA-N 2 0 344.528 3.360 20 0 EGADRP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536960 461757144 /nfs/dbraw/zinc/75/71/44/461757144.db2.gz XMECWHNZFFGIFW-HUUCEWRRSA-N 2 0 326.362 3.304 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643546998 461759936 /nfs/dbraw/zinc/75/99/36/461759936.db2.gz YEFXGQWREBELMZ-RDJZCZTQSA-N 2 0 348.487 3.046 20 0 EGADRP C[C@H]1C[C@@H](C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CC[NH2+]1 ZINC000666690857 461761238 /nfs/dbraw/zinc/76/12/38/461761238.db2.gz OWPKJLSTPPZAEJ-HOTGVXAUSA-N 2 0 340.471 3.304 20 0 EGADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000647549783 461762530 /nfs/dbraw/zinc/76/25/30/461762530.db2.gz QLJBMWPWMKXMPN-LJCCNALRSA-N 2 0 330.472 3.133 20 0 EGADRP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647550532 461763323 /nfs/dbraw/zinc/76/33/23/461763323.db2.gz WVZYCPHRTDSLIX-RBSFLKMASA-N 2 0 328.378 3.105 20 0 EGADRP Fc1ccccc1-c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647551580 461764299 /nfs/dbraw/zinc/76/42/99/461764299.db2.gz WIEGCCGGXKLGFC-MELADBBJSA-N 2 0 331.460 3.427 20 0 EGADRP Clc1ccccc1[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000647785691 461833258 /nfs/dbraw/zinc/83/32/58/461833258.db2.gz DBPOVYHGTPBETA-LJCCNALRSA-N 2 0 347.934 3.455 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1)c1ccco1 ZINC000647786790 461834557 /nfs/dbraw/zinc/83/45/57/461834557.db2.gz YTNLOXIYQCHIST-JFIYKMOQSA-N 2 0 339.439 3.010 20 0 EGADRP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647786710 461834735 /nfs/dbraw/zinc/83/47/35/461834735.db2.gz XCTBRLBUWLQZDE-BOFXEDATSA-N 2 0 327.516 3.190 20 0 EGADRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000647791869 461836932 /nfs/dbraw/zinc/83/69/32/461836932.db2.gz OXZUOQOXCRVGKE-JHJVBQTASA-N 2 0 327.241 3.066 20 0 EGADRP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647791647 461836972 /nfs/dbraw/zinc/83/69/72/461836972.db2.gz JQXPGYYTDXSGDL-VNHYZAJKSA-N 2 0 328.378 3.062 20 0 EGADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647791888 461837316 /nfs/dbraw/zinc/83/73/16/461837316.db2.gz PHIFQULLUPENGT-YSIASYRMSA-N 2 0 338.499 3.091 20 0 EGADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccn1 ZINC000647793650 461838469 /nfs/dbraw/zinc/83/84/69/461838469.db2.gz CQGRSLLAAVOQKG-OPOADAIRSA-N 2 0 337.467 3.157 20 0 EGADRP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647792903 461838485 /nfs/dbraw/zinc/83/84/85/461838485.db2.gz DPRWISDFZKHSDJ-WZGPROSRSA-N 2 0 331.504 3.373 20 0 EGADRP Clc1ccc(COCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647794317 461838493 /nfs/dbraw/zinc/83/84/93/461838493.db2.gz XVGIMPQNXSQHMC-JGGQBBKZSA-N 2 0 343.298 3.488 20 0 EGADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647797064 461839631 /nfs/dbraw/zinc/83/96/31/461839631.db2.gz WQZJDUMBSAJFDN-VRPWAGJOSA-N 2 0 336.426 3.242 20 0 EGADRP Clc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000647798014 461841745 /nfs/dbraw/zinc/84/17/45/461841745.db2.gz KAPRJWUBUSHRRB-FRRDWIJNSA-N 2 0 329.271 3.350 20 0 EGADRP C[N@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647881558 461868443 /nfs/dbraw/zinc/86/84/43/461868443.db2.gz JQSFQBPKHYECJV-INIZCTEOSA-N 2 0 344.478 3.470 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666937644 461878522 /nfs/dbraw/zinc/87/85/22/461878522.db2.gz QDSMUZGTGXYWGY-CQSZACIVSA-N 2 0 326.444 3.440 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953840 461886692 /nfs/dbraw/zinc/88/66/92/461886692.db2.gz IYZGZMSLGAEHIL-CZUORRHYSA-N 2 0 335.879 3.097 20 0 EGADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2cc(N)ccc2O1 ZINC000666959402 461888738 /nfs/dbraw/zinc/88/87/38/461888738.db2.gz MBLYDMLLEDXEIN-DDBAPUKQSA-N 2 0 329.488 3.381 20 0 EGADRP c1cn2c(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c(C3CC3)nc2s1 ZINC000656783793 461894194 /nfs/dbraw/zinc/89/41/94/461894194.db2.gz UKHICHJKOKDORZ-MRXNPFEDSA-N 2 0 344.528 3.485 20 0 EGADRP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784053 461894769 /nfs/dbraw/zinc/89/47/69/461894769.db2.gz YAKISYGJQYTKSL-WBVHZDCISA-N 2 0 335.517 3.206 20 0 EGADRP COc1cc2c(cc1C[NH+]1CCC([C@H]3CCC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000656785972 461896151 /nfs/dbraw/zinc/89/61/51/461896151.db2.gz OPWLQJDHOIEVMS-RDJZCZTQSA-N 2 0 344.499 3.230 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000650707060 461899515 /nfs/dbraw/zinc/89/95/15/461899515.db2.gz XSGRQDISWSHKAB-OGWOLHLISA-N 2 0 343.446 3.092 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000650706300 461899806 /nfs/dbraw/zinc/89/98/06/461899806.db2.gz ICYJZOKORRPALS-JJRVBVJISA-N 2 0 326.843 3.197 20 0 EGADRP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707337 461900776 /nfs/dbraw/zinc/90/07/76/461900776.db2.gz CXKTZLUFFKGJCQ-YRNRMSPPSA-N 2 0 328.456 3.460 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1CC[NH3+] ZINC000650711925 461905506 /nfs/dbraw/zinc/90/55/06/461905506.db2.gz JHNHNQXTGZUZFG-DNVCBOLYSA-N 2 0 330.451 3.020 20 0 EGADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c2)nc1 ZINC000666998463 461906000 /nfs/dbraw/zinc/90/60/00/461906000.db2.gz VFOVUHVLMUGYLE-GOSISDBHSA-N 2 0 337.467 3.425 20 0 EGADRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc(Cl)c1OC ZINC000650718582 461911292 /nfs/dbraw/zinc/91/12/92/461911292.db2.gz RIWRMQPABRRIHG-UHFFFAOYSA-N 2 0 338.810 3.245 20 0 EGADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)c(F)c1 ZINC000650718857 461911438 /nfs/dbraw/zinc/91/14/38/461911438.db2.gz YDXFSBKKMXDSIK-IBGZPJMESA-N 2 0 344.430 3.132 20 0 EGADRP Cc1nccn1CCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660664578 461913283 /nfs/dbraw/zinc/91/32/83/461913283.db2.gz HEORUPOSZLHFRA-UHFFFAOYSA-N 2 0 334.414 3.072 20 0 EGADRP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723760 461916067 /nfs/dbraw/zinc/91/60/67/461916067.db2.gz SXTGZEQEHXQZOI-RLLQIKCJSA-N 2 0 332.488 3.335 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975082 461916541 /nfs/dbraw/zinc/91/65/41/461916541.db2.gz KENVEPBFIDZIHL-CVEARBPZSA-N 2 0 349.906 3.299 20 0 EGADRP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1C ZINC000647978333 461920284 /nfs/dbraw/zinc/92/02/84/461920284.db2.gz PZKOVXZSZGFEOH-SJORKVTESA-N 2 0 349.544 3.323 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660680791 461922629 /nfs/dbraw/zinc/92/26/29/461922629.db2.gz XSLMIJWDHAGKFV-KDURUIRLSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650739855 461928038 /nfs/dbraw/zinc/92/80/38/461928038.db2.gz ASPPKAVPONHCGQ-UCLAIMLFSA-N 2 0 344.430 3.460 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)c1OC ZINC000650756092 461936760 /nfs/dbraw/zinc/93/67/60/461936760.db2.gz UNCIDKVILPJTMO-CYBMUJFWSA-N 2 0 332.419 3.461 20 0 EGADRP Brc1cccc2c1C[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650762161 461940160 /nfs/dbraw/zinc/94/01/60/461940160.db2.gz VJMYTKGFQWVPGR-OAHLLOKOSA-N 2 0 337.305 3.286 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000650761804 461940477 /nfs/dbraw/zinc/94/04/77/461940477.db2.gz KXODQXDGNVLUDQ-FDFHNCONSA-N 3 0 341.543 3.409 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650764158 461942580 /nfs/dbraw/zinc/94/25/80/461942580.db2.gz RGPDRECEUYZPJM-OAHLLOKOSA-N 2 0 332.492 3.257 20 0 EGADRP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000644530499 461972099 /nfs/dbraw/zinc/97/20/99/461972099.db2.gz BQIYHRPTFPYTQZ-FCHUYYIVSA-N 2 0 338.495 3.092 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000644530501 461972576 /nfs/dbraw/zinc/97/25/76/461972576.db2.gz BQIYHRPTFPYTQZ-VXKWHMMOSA-N 2 0 338.495 3.092 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000657189401 461982686 /nfs/dbraw/zinc/98/26/86/461982686.db2.gz WNPCBDJTKVWZIK-MRXNPFEDSA-N 2 0 346.906 3.406 20 0 EGADRP C[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000644562882 461986025 /nfs/dbraw/zinc/98/60/25/461986025.db2.gz FXGQGLXESPVDLM-IIBYNOLFSA-N 2 0 326.484 3.063 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648150761 461990085 /nfs/dbraw/zinc/99/00/85/461990085.db2.gz ULWGCXGHGZPXOQ-QGZVFWFLSA-N 2 0 337.895 3.063 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](c4nccn4C)C3)co2)c1 ZINC000639567896 461993504 /nfs/dbraw/zinc/99/35/04/461993504.db2.gz QMPCWJAKXLGHGX-HNNXBMFYSA-N 2 0 338.411 3.073 20 0 EGADRP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](c4nccn4C)C3)co2)c1 ZINC000639567897 461993577 /nfs/dbraw/zinc/99/35/77/461993577.db2.gz QMPCWJAKXLGHGX-OAHLLOKOSA-N 2 0 338.411 3.073 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657293935 462024028 /nfs/dbraw/zinc/02/40/28/462024028.db2.gz XMYPLNAMQGYKPD-XLIONFOSSA-N 2 0 332.488 3.208 20 0 EGADRP NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000664384003 462040447 /nfs/dbraw/zinc/04/04/47/462040447.db2.gz BQPORDJNXCJCAY-GOSISDBHSA-N 2 0 343.515 3.150 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C[NH+]1CCCCC1 ZINC000657316237 462040646 /nfs/dbraw/zinc/04/06/46/462040646.db2.gz CPSBGJRCERWNQH-YLJYHZDGSA-N 2 0 332.488 3.066 20 0 EGADRP c1ccc2c(CC[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)nsc2c1 ZINC000639683642 462057219 /nfs/dbraw/zinc/05/72/19/462057219.db2.gz KBAROICXHHVIDL-UHFFFAOYSA-N 2 0 338.480 3.446 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657398851 462097256 /nfs/dbraw/zinc/09/72/56/462097256.db2.gz DBYGLABWTZJKFU-ROUUACIJSA-N 2 0 345.512 3.154 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657412761 462106727 /nfs/dbraw/zinc/10/67/27/462106727.db2.gz DSCWPWIKAQVKAR-TZIWHRDSSA-N 2 0 346.515 3.312 20 0 EGADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657432065 462119146 /nfs/dbraw/zinc/11/91/46/462119146.db2.gz NSZAESPXXFSUMK-HLAWJBBLSA-N 2 0 338.499 3.119 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000648438597 462120151 /nfs/dbraw/zinc/12/01/51/462120151.db2.gz MSKGNMVIXWMZJV-VQTJNVASSA-N 2 0 346.515 3.454 20 0 EGADRP CCCn1nccc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620730 462177808 /nfs/dbraw/zinc/17/78/08/462177808.db2.gz MRDGADDCJCBEHY-IBGZPJMESA-N 2 0 326.488 3.247 20 0 EGADRP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000667666639 462201051 /nfs/dbraw/zinc/20/10/51/462201051.db2.gz SXLBVUSAFMNEJP-CGBFIWBNSA-N 2 0 348.535 3.033 20 0 EGADRP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000667707164 462224387 /nfs/dbraw/zinc/22/43/87/462224387.db2.gz RSWJCJVCLGFUIZ-DFQSSKMNSA-N 2 0 332.488 3.077 20 0 EGADRP CC(C)(C)N1C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000657754937 462253494 /nfs/dbraw/zinc/25/34/94/462253494.db2.gz JSNLMXMHPLOGPF-MRXNPFEDSA-N 2 0 335.536 3.020 20 0 EGADRP Fc1ccc(-n2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC000657813262 462279108 /nfs/dbraw/zinc/27/91/08/462279108.db2.gz MGVHDODLNLSAMG-UHFFFAOYSA-N 2 0 342.462 3.223 20 0 EGADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000657813725 462279570 /nfs/dbraw/zinc/27/95/70/462279570.db2.gz YQGOYZIDBCPWTA-FQEVSTJZSA-N 2 0 328.500 3.264 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657816772 462281261 /nfs/dbraw/zinc/28/12/61/462281261.db2.gz ZUDCHHKEJVUOOT-KRWDZBQOSA-N 2 0 346.515 3.312 20 0 EGADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657833925 462289482 /nfs/dbraw/zinc/28/94/82/462289482.db2.gz XHHIXEPCQSXBHZ-GOSISDBHSA-N 2 0 337.939 3.277 20 0 EGADRP CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648855057 462305596 /nfs/dbraw/zinc/30/55/96/462305596.db2.gz WLGJNYDIHCDBPO-WOJBJXKFSA-N 2 0 332.488 3.208 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccncc2s1 ZINC000657879448 462305871 /nfs/dbraw/zinc/30/58/71/462305871.db2.gz OIYAUPIIKLRGPR-GOEBONIOSA-N 2 0 344.528 3.115 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC000651709575 462310919 /nfs/dbraw/zinc/31/09/19/462310919.db2.gz AFXPWTHMFWBFIX-UWJYYQICSA-N 2 0 330.516 3.402 20 0 EGADRP C([NH2+]C1C2CC3CC(C2)CC1C3)C1CC[NH+](C2CCOCC2)CC1 ZINC000658069044 462366449 /nfs/dbraw/zinc/36/64/49/462366449.db2.gz KGPFNDPBISMFPZ-UHFFFAOYSA-N 2 0 332.532 3.292 20 0 EGADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071769 462367758 /nfs/dbraw/zinc/36/77/58/462367758.db2.gz YTVYPGGREKPYHT-FQEVSTJZSA-N 2 0 344.499 3.250 20 0 EGADRP Cc1ccc([C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C2CCCCC2)cc1 ZINC000665292951 462388796 /nfs/dbraw/zinc/38/87/96/462388796.db2.gz NCFPWBFPJVUCKM-HXUWFJFHSA-N 2 0 340.471 3.361 20 0 EGADRP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291740 462388859 /nfs/dbraw/zinc/38/88/59/462388859.db2.gz JYRHRDSRAPODAC-OAHLLOKOSA-N 2 0 348.878 3.041 20 0 EGADRP CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651950927 462388951 /nfs/dbraw/zinc/38/89/51/462388951.db2.gz YUXPBMIVMNDWTI-WOJBJXKFSA-N 2 0 332.488 3.208 20 0 EGADRP CC1(C)C[C@]1(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000665299189 462390318 /nfs/dbraw/zinc/39/03/18/462390318.db2.gz IFVBJMAZSQEALO-HDAAZOAOSA-N 2 0 328.500 3.101 20 0 EGADRP [NH3+]Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)o1 ZINC000645674076 462392652 /nfs/dbraw/zinc/39/26/52/462392652.db2.gz MMPUHXYTLZYTKZ-UHFFFAOYSA-N 2 0 327.428 3.019 20 0 EGADRP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000652150458 462451523 /nfs/dbraw/zinc/45/15/23/462451523.db2.gz XLAVXWIVJKHENW-HKUYNNGSSA-N 2 0 349.494 3.090 20 0 EGADRP CC[N@H+](CCC[NH2+][C@@H](COC)C1CCOCC1)C1CCCCC1 ZINC000652238161 462485854 /nfs/dbraw/zinc/48/58/54/462485854.db2.gz VSAXIDDKLJPVQW-IBGZPJMESA-N 2 0 326.525 3.062 20 0 EGADRP CCn1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2c1cccc2F ZINC000649417831 462504355 /nfs/dbraw/zinc/50/43/55/462504355.db2.gz KBLRSIKTCCRLCQ-JKSUJKDBSA-N 2 0 344.478 3.407 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000130301927 533902251 /nfs/dbraw/zinc/90/22/51/533902251.db2.gz GVVWYQPEANOVGG-YWZLYKJASA-N 2 0 346.446 3.150 20 0 EGADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153766511 533903787 /nfs/dbraw/zinc/90/37/87/533903787.db2.gz SDWQBTXSMZXTIO-JXFKEZNVSA-N 2 0 328.456 3.011 20 0 EGADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290487841 518184959 /nfs/dbraw/zinc/18/49/59/518184959.db2.gz XQCAAUIENMSQMW-KKSFZXQISA-N 2 0 339.483 3.435 20 0 EGADRP CCO[C@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000181917843 528141550 /nfs/dbraw/zinc/14/15/50/528141550.db2.gz RQGQIYCKVSCJMC-OALUTQOASA-N 2 0 329.488 3.235 20 0 EGADRP CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155024516 528165693 /nfs/dbraw/zinc/16/56/93/528165693.db2.gz CQJKHGZQAWAPNF-MSOLQXFVSA-N 2 0 333.520 3.008 20 0 EGADRP CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000132417296 528223725 /nfs/dbraw/zinc/22/37/25/528223725.db2.gz AXMZNZPZCAHECT-LEWJYISDSA-N 2 0 347.547 3.398 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000132358230 528465263 /nfs/dbraw/zinc/46/52/63/528465263.db2.gz BYIPAZCVDDYDSL-RDTXWAMCSA-N 2 0 341.902 3.402 20 0 EGADRP CCCc1cccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000187166950 528635392 /nfs/dbraw/zinc/63/53/92/528635392.db2.gz JQYXTDHTFSOTJK-UHFFFAOYSA-N 2 0 338.499 3.076 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000132358010 529013747 /nfs/dbraw/zinc/01/37/47/529013747.db2.gz BYIPAZCVDDYDSL-KSSFIOAISA-N 2 0 341.902 3.402 20 0 EGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000154484394 529143641 /nfs/dbraw/zinc/14/36/41/529143641.db2.gz UXQVTARQZIDJIK-GOSISDBHSA-N 2 0 333.520 3.072 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000154299911 529144847 /nfs/dbraw/zinc/14/48/47/529144847.db2.gz MGEIDZDNBXMITR-SFHVURJKSA-N 2 0 333.520 3.152 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000191265368 529147390 /nfs/dbraw/zinc/14/73/90/529147390.db2.gz DPBJCUVHHBJVEH-UONOGXRCSA-N 2 0 329.941 3.326 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000246878871 534946940 /nfs/dbraw/zinc/94/69/40/534946940.db2.gz DWINREUUQLBBGP-CABCVRRESA-N 2 0 336.476 3.095 20 0 EGADRP O=C(C1CCCC1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000126776343 546762461 /nfs/dbraw/zinc/76/24/61/546762461.db2.gz SCLLCCBUYHGCCG-LJQANCHMSA-N 2 0 347.547 3.164 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000157484408 546919742 /nfs/dbraw/zinc/91/97/42/546919742.db2.gz QPYCEMLKYNSDRL-KBPBESRZSA-N 2 0 336.476 3.093 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161591564 546957948 /nfs/dbraw/zinc/95/79/48/546957948.db2.gz MEKNELUPJKKUQB-ZOCIIQOWSA-N 2 0 342.487 3.248 20 0 EGADRP C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000162193225 546964088 /nfs/dbraw/zinc/96/40/88/546964088.db2.gz BKBFULNDCJDBQU-GFCCVEGCSA-N 2 0 343.284 3.451 20 0 EGADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166290107 546987432 /nfs/dbraw/zinc/98/74/32/546987432.db2.gz HOMPOABNAHLMFJ-RTBURBONSA-N 2 0 332.463 3.090 20 0 EGADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000166293440 546988553 /nfs/dbraw/zinc/98/85/53/546988553.db2.gz QOWCPWLPAZFRQM-RTBURBONSA-N 2 0 328.500 3.260 20 0 EGADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000166525141 546989571 /nfs/dbraw/zinc/98/95/71/546989571.db2.gz FSUQBSSYWZWBBP-IAGOWNOFSA-N 2 0 332.488 3.198 20 0 EGADRP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000248433650 547299114 /nfs/dbraw/zinc/29/91/14/547299114.db2.gz DIXXTSDWHYONTI-KSSFIOAISA-N 2 0 345.512 3.259 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)CC1 ZINC000285758284 547389557 /nfs/dbraw/zinc/38/95/57/547389557.db2.gz RHSLUOKHHMJMEO-FPOVZHCZSA-N 2 0 329.532 3.486 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000285758302 547389629 /nfs/dbraw/zinc/38/96/29/547389629.db2.gz RHSLUOKHHMJMEO-TZIWHRDSSA-N 2 0 329.532 3.486 20 0 EGADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310859323 547461520 /nfs/dbraw/zinc/46/15/20/547461520.db2.gz CECJUCDRFLBFAT-UXHICEINSA-N 2 0 345.531 3.026 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000339229352 547571506 /nfs/dbraw/zinc/57/15/06/547571506.db2.gz GZSIJOMAUGUCHW-AZUAARDMSA-N 2 0 343.515 3.204 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000339238803 547571764 /nfs/dbraw/zinc/57/17/64/547571764.db2.gz WMMUAQCSSBUTIQ-SFHVURJKSA-N 2 0 343.515 3.032 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000414922070 547861814 /nfs/dbraw/zinc/86/18/14/547861814.db2.gz GGMNBRGJFWUHJU-ZIAGYGMSSA-N 2 0 349.276 3.199 20 0 EGADRP Brc1ccc(C[NH2+]CCC[NH2+]C2CC2)c2ncccc12 ZINC000415070517 547863497 /nfs/dbraw/zinc/86/34/97/547863497.db2.gz QRQQKCBJSBCONM-UHFFFAOYSA-N 2 0 334.261 3.229 20 0 EGADRP c1nc(C2CC2)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000487537896 547974015 /nfs/dbraw/zinc/97/40/15/547974015.db2.gz LHQLMPZDDCLQGZ-UHFFFAOYSA-N 2 0 328.485 3.422 20 0 EGADRP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000671497767 548298873 /nfs/dbraw/zinc/29/88/73/548298873.db2.gz YUQIWZFHOZWBPK-VNXMGFANSA-N 2 0 342.527 3.428 20 0 EGADRP CCCN1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000671730335 548346134 /nfs/dbraw/zinc/34/61/34/548346134.db2.gz NZWKQKQJADSIAX-FQEVSTJZSA-N 2 0 345.531 3.125 20 0 EGADRP Cc1ccccc1C[NH+]1CCCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000675489443 548928555 /nfs/dbraw/zinc/92/85/55/548928555.db2.gz XISMMMSLQIKDJU-NRFANRHFSA-N 2 0 329.532 3.377 20 0 EGADRP Clc1cccc(OCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000675497322 548930436 /nfs/dbraw/zinc/93/04/36/548930436.db2.gz DARKVSDICOIBDW-UHFFFAOYSA-N 2 0 331.847 3.326 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000675752168 548974694 /nfs/dbraw/zinc/97/46/94/548974694.db2.gz MEKNELUPJKKUQB-JVPBZIDWSA-N 2 0 342.487 3.248 20 0 EGADRP c1ccc2c(c1)OC[C@H](C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)O2 ZINC000676901360 549176098 /nfs/dbraw/zinc/17/60/98/549176098.db2.gz SINLJVNVSBNJLM-IBGZPJMESA-N 2 0 344.499 3.414 20 0 EGADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677238065 549234607 /nfs/dbraw/zinc/23/46/07/549234607.db2.gz VTXOZRQWMDEXHQ-CABCVRRESA-N 2 0 341.268 3.347 20 0 EGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ncccc2C(F)(F)F)C[C@@H](C)O1 ZINC000677965004 549367249 /nfs/dbraw/zinc/36/72/49/549367249.db2.gz SYZHRYGCOFDDFG-ZIAGYGMSSA-N 2 0 345.409 3.079 20 0 EGADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1COc2ccccc2O1 ZINC000678123493 549401456 /nfs/dbraw/zinc/40/14/56/549401456.db2.gz YSIBAYYZBCMOQI-LJQANCHMSA-N 2 0 340.467 3.410 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000678295887 549463757 /nfs/dbraw/zinc/46/37/57/549463757.db2.gz KVHQMLDRZPATQY-RBBKRZOGSA-N 2 0 341.543 3.281 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(C)n1 ZINC000678419369 549487816 /nfs/dbraw/zinc/48/78/16/549487816.db2.gz WITCVFQYGWRJDN-INIZCTEOSA-N 2 0 327.472 3.490 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(-c2ccccc2)no1 ZINC000678609078 549531497 /nfs/dbraw/zinc/53/14/97/549531497.db2.gz CIEAYBGONLGCPO-OIISXLGYSA-N 2 0 326.444 3.057 20 0 EGADRP CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678718782 549547736 /nfs/dbraw/zinc/54/77/36/549547736.db2.gz CMMULRHEYCMNGS-HXUWFJFHSA-N 2 0 345.531 3.076 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nc3c(s2)CCCC3)C[C@H](C)O1 ZINC000678950640 549602474 /nfs/dbraw/zinc/60/24/74/549602474.db2.gz DHSLPYYDUHFBNS-GASCZTMLSA-N 2 0 337.533 3.001 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000679113526 549638411 /nfs/dbraw/zinc/63/84/11/549638411.db2.gz WYPKAESCMXNYPO-HXUWFJFHSA-N 2 0 332.488 3.018 20 0 EGADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)OC(C)C ZINC000681140358 549960256 /nfs/dbraw/zinc/96/02/56/549960256.db2.gz VAUBLHIONINWKF-OXQOHEQNSA-N 2 0 334.504 3.481 20 0 EGADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681368811 549988015 /nfs/dbraw/zinc/98/80/15/549988015.db2.gz FAGQSONBFWUPMU-VQTJNVASSA-N 2 0 334.504 3.310 20 0 EGADRP Cc1csc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000681387039 549990346 /nfs/dbraw/zinc/99/03/46/549990346.db2.gz CVFLHMQVHMKMML-SJLPKXTDSA-N 2 0 329.513 3.494 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000681972181 550056168 /nfs/dbraw/zinc/05/61/68/550056168.db2.gz UKCRLRDVJQUYDG-VQTJNVASSA-N 2 0 329.532 3.013 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000682071521 550068556 /nfs/dbraw/zinc/06/85/56/550068556.db2.gz OWCMNJQVAVAXMN-RTBURBONSA-N 2 0 345.531 3.085 20 0 EGADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000685457343 550418803 /nfs/dbraw/zinc/41/88/03/550418803.db2.gz BCFRLLPVWVJZBJ-GOSISDBHSA-N 2 0 335.923 3.249 20 0 EGADRP CCCC[N@@H+]1Cc2cccc(NC(=S)NC3CC[NH+](C)CC3)c2C1 ZINC000727289871 574659066 /nfs/dbraw/zinc/65/90/66/574659066.db2.gz HKSPFXCCOIPWRM-UHFFFAOYSA-N 2 0 346.544 3.183 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000729316311 574837662 /nfs/dbraw/zinc/83/76/62/574837662.db2.gz GEXCOSHSJVBOEI-FQEVSTJZSA-N 2 0 343.515 3.033 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000729525178 574868028 /nfs/dbraw/zinc/86/80/28/574868028.db2.gz GBIQUUXZPQVERB-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000729682716 574878669 /nfs/dbraw/zinc/87/86/69/574878669.db2.gz AGAMAKACDSYJJA-SJORKVTESA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000309947793 574981120 /nfs/dbraw/zinc/98/11/20/574981120.db2.gz ZHPLQTMMPBXAIH-GTPINHCMSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1 ZINC000738439876 576326506 /nfs/dbraw/zinc/32/65/06/576326506.db2.gz OTVVNARUMVOWIK-UHFFFAOYSA-N 2 0 332.419 3.152 20 0 EGADRP Cc1ccc(N2CC[C@@H]([NH+]3CCC(C[N@@H+](C)C(C)C)CC3)C2=O)cc1 ZINC000741781485 576720479 /nfs/dbraw/zinc/72/04/79/576720479.db2.gz BFSQDBDTKDXDRZ-HXUWFJFHSA-N 2 0 343.515 3.153 20 0 EGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCC[NH+](C)C ZINC000742734260 576794489 /nfs/dbraw/zinc/79/44/89/576794489.db2.gz UTPCMGNTANIVGF-UHFFFAOYSA-N 2 0 334.895 3.325 20 0 EGADRP Cn1nc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000751152754 1299516812 /nfs/dbraw/zinc/51/68/12/1299516812.db2.gz OPHNBZPGDDOLRH-UHFFFAOYSA-N 2 0 326.488 3.460 20 0 EGADRP C[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000065932378 1292097501 /nfs/dbraw/zinc/09/75/01/1292097501.db2.gz GXRQQOUNDVUFRH-CQSZACIVSA-N 2 0 330.394 3.449 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(OC)c2OC(F)F)CC1 ZINC000065996811 1292104063 /nfs/dbraw/zinc/10/40/63/1292104063.db2.gz AKPGNIYPGQWCGC-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000067671740 1292167836 /nfs/dbraw/zinc/16/78/36/1292167836.db2.gz YKTAPYPWUWKVSN-ZDUSSCGKSA-N 2 0 330.303 3.109 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000069445793 1292243185 /nfs/dbraw/zinc/24/31/85/1292243185.db2.gz LFOMWWSTGVOHFY-FQEVSTJZSA-N 2 0 343.515 3.163 20 0 EGADRP CC(C)[C@@H](C[NH2+]Cc1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000075763018 1292409741 /nfs/dbraw/zinc/40/97/41/1292409741.db2.gz IIGMNBVOBAUUJI-QGZVFWFLSA-N 2 0 344.330 3.355 20 0 EGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000828556743 1292474166 /nfs/dbraw/zinc/47/41/66/1292474166.db2.gz XAPHBNPWLIDYCB-MRXNPFEDSA-N 2 0 348.362 3.061 20 0 EGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cccc(O)c3)cc2)C[C@H](C)O1 ZINC000078616545 1292518261 /nfs/dbraw/zinc/51/82/61/1292518261.db2.gz XHRGLFSLVBBJSF-IRXDYDNUSA-N 2 0 340.467 3.291 20 0 EGADRP CN(C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000089426635 1292769002 /nfs/dbraw/zinc/76/90/02/1292769002.db2.gz MLLCYQDUGATIDF-SJORKVTESA-N 2 0 339.524 3.050 20 0 EGADRP CCCCOC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821587 1292892047 /nfs/dbraw/zinc/89/20/47/1292892047.db2.gz SPWYBTRNHJEFPN-QGZVFWFLSA-N 2 0 347.503 3.352 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000105451372 1293036569 /nfs/dbraw/zinc/03/65/69/1293036569.db2.gz RLUXFDHCDNYXFO-UHFFFAOYSA-N 2 0 341.499 3.310 20 0 EGADRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000108428575 1293080614 /nfs/dbraw/zinc/08/06/14/1293080614.db2.gz LNDTZUBYTHSWNN-HNNXBMFYSA-N 2 0 338.455 3.265 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(Br)nc1 ZINC000834908933 1293172982 /nfs/dbraw/zinc/17/29/82/1293172982.db2.gz MWGQSLYPMNJKPM-GFCCVEGCSA-N 2 0 326.282 3.369 20 0 EGADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000120744197 1293335991 /nfs/dbraw/zinc/33/59/91/1293335991.db2.gz SYIBNEBKJGZYPV-GJYPPUQNSA-N 2 0 346.471 3.383 20 0 EGADRP CC(C)(C)C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000121371599 1293368258 /nfs/dbraw/zinc/36/82/58/1293368258.db2.gz ZMAWXVUBQWZACL-GOSISDBHSA-N 2 0 334.504 3.048 20 0 EGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(Cl)c(F)c2)ccn1 ZINC000136218068 1293812540 /nfs/dbraw/zinc/81/25/40/1293812540.db2.gz TZJZQIFUCDWDQP-UHFFFAOYSA-N 2 0 337.826 3.104 20 0 EGADRP Cc1ccc(-c2cccc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)c2)cc1 ZINC000150788537 1293894217 /nfs/dbraw/zinc/89/42/17/1293894217.db2.gz PBDKDGMFWCRMHS-LJQANCHMSA-N 2 0 337.511 3.388 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000151001259 1293902662 /nfs/dbraw/zinc/90/26/62/1293902662.db2.gz VNDVREYTYUFWOK-CQSZACIVSA-N 2 0 339.530 3.318 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000159087245 1294225400 /nfs/dbraw/zinc/22/54/00/1294225400.db2.gz PXJIEOYVVGSLSR-KRWDZBQOSA-N 2 0 334.504 3.107 20 0 EGADRP CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000173338588 1294459233 /nfs/dbraw/zinc/45/92/33/1294459233.db2.gz GCLIPJHYMIHBLV-IAGOWNOFSA-N 2 0 339.524 3.145 20 0 EGADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000870853619 1296113613 /nfs/dbraw/zinc/11/36/13/1296113613.db2.gz XGAPNTOPBFXQMP-DAYGRLMNSA-N 2 0 349.906 3.111 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(CC(C)C)cc2)CC1 ZINC000236885179 1296209133 /nfs/dbraw/zinc/20/91/33/1296209133.db2.gz WSSVSWIILGTSFN-LJQANCHMSA-N 2 0 331.548 3.248 20 0 EGADRP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000237570952 1296250047 /nfs/dbraw/zinc/25/00/47/1296250047.db2.gz UUIFRTSUGGDXND-IEBWSBKVSA-N 2 0 329.532 3.359 20 0 EGADRP CC(C)(O)[C@@H]1CCC[NH+]1CCCCCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000245718179 1296322189 /nfs/dbraw/zinc/32/21/89/1296322189.db2.gz ACCDAFQYIQXTCH-ROUUACIJSA-N 2 0 340.552 3.017 20 0 EGADRP CC(C)(c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[C@H]([NH3+])c1ccccc1 ZINC000871796795 1296538172 /nfs/dbraw/zinc/53/81/72/1296538172.db2.gz LQSXLMCQSUDJAF-WTXIUTQJSA-N 2 0 326.444 3.045 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261547214 1296593447 /nfs/dbraw/zinc/59/34/47/1296593447.db2.gz HRTUXZSMUWXCBV-GIVPXCGWSA-N 2 0 329.532 3.409 20 0 EGADRP CCOc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC(F)F ZINC000261757487 1296601317 /nfs/dbraw/zinc/60/13/17/1296601317.db2.gz POHMWSNEUTVFIR-CQSZACIVSA-N 2 0 328.403 3.390 20 0 EGADRP COc1ccc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)sc2c1 ZINC000261799727 1296603330 /nfs/dbraw/zinc/60/33/30/1296603330.db2.gz GUOBTMVTBBIXBT-HNNXBMFYSA-N 2 0 331.485 3.269 20 0 EGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000262231059 1296622825 /nfs/dbraw/zinc/62/28/25/1296622825.db2.gz NXXZPPLBJXQQOA-UHFFFAOYSA-N 2 0 337.467 3.062 20 0 EGADRP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000262232444 1296623543 /nfs/dbraw/zinc/62/35/43/1296623543.db2.gz OBTJSXUGVMYSGN-XUVXKRRUSA-N 2 0 341.499 3.214 20 0 EGADRP C[C@@H](CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000262890245 1296652426 /nfs/dbraw/zinc/65/24/26/1296652426.db2.gz AFDNMNCJIHOAQR-WCQYABFASA-N 2 0 343.393 3.128 20 0 EGADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCCc3cc(OC)c(OC)cc32)C1 ZINC000872025257 1296667814 /nfs/dbraw/zinc/66/78/14/1296667814.db2.gz JEXRTODXQZWVDX-YJBOKZPZSA-N 2 0 332.488 3.403 20 0 EGADRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)Sc2ccccc21)CN1CC[NH+](C)CC1 ZINC000872031910 1296678484 /nfs/dbraw/zinc/67/84/84/1296678484.db2.gz OAWXCWMUURPHNS-FUHWJXTLSA-N 2 0 347.572 3.475 20 0 EGADRP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156222 1296776774 /nfs/dbraw/zinc/77/67/74/1296776774.db2.gz GKFLFDQLXKBCCW-FXAWDEMLSA-N 2 0 343.515 3.166 20 0 EGADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1)C1CCCC1 ZINC000872157832 1296777188 /nfs/dbraw/zinc/77/71/88/1296777188.db2.gz RJYGKEQCHYSOAN-APWZRJJASA-N 2 0 329.488 3.245 20 0 EGADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000302117868 1296798417 /nfs/dbraw/zinc/79/84/17/1296798417.db2.gz SLFLKUXXVFPRGB-MDZRGWNJSA-N 2 0 339.524 3.144 20 0 EGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872292949 1296900421 /nfs/dbraw/zinc/90/04/21/1296900421.db2.gz ZAVUCJNMYHZPNC-MOPGFXCFSA-N 2 0 331.504 3.004 20 0 EGADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1)C1CCCC1 ZINC000872312800 1296910497 /nfs/dbraw/zinc/91/04/97/1296910497.db2.gz YCFZSUKWYRCPDV-WZGPROSRSA-N 2 0 335.536 3.040 20 0 EGADRP Cc1ccsc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000304717491 1296937075 /nfs/dbraw/zinc/93/70/75/1296937075.db2.gz NYUAIKJKKUWGOW-UHFFFAOYSA-N 2 0 330.497 3.303 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000305133366 1296985439 /nfs/dbraw/zinc/98/54/39/1296985439.db2.gz NDBDMNDUGPIVRW-ZACQAIPSSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000325274336 1297221988 /nfs/dbraw/zinc/22/19/88/1297221988.db2.gz RDLZSNKKBFXJCD-SFHVURJKSA-N 2 0 331.504 3.052 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000873079486 1297262792 /nfs/dbraw/zinc/26/27/92/1297262792.db2.gz FWVMGDXNWHPOGP-SFTDATJTSA-N 2 0 339.483 3.092 20 0 EGADRP COc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204438 1297351049 /nfs/dbraw/zinc/35/10/49/1297351049.db2.gz BJQXFEKLKASVJO-AWEZNQCLSA-N 2 0 328.481 3.392 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208304 1297351656 /nfs/dbraw/zinc/35/16/56/1297351656.db2.gz SUJKHDHTTXEPOF-GOSISDBHSA-N 2 0 341.524 3.100 20 0 EGADRP COCCOc1cc(C)ccc1C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211196 1297356467 /nfs/dbraw/zinc/35/64/67/1297356467.db2.gz JYDDTJVLZIVXLE-UHFFFAOYSA-N 2 0 346.496 3.017 20 0 EGADRP C[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc2[nH]c(=O)oc2c1 ZINC000873217363 1297359984 /nfs/dbraw/zinc/35/99/84/1297359984.db2.gz JZXMRLJDZJVRLG-SNVBAGLBSA-N 2 0 329.425 3.091 20 0 EGADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000873223936 1297364331 /nfs/dbraw/zinc/36/43/31/1297364331.db2.gz VDJUEJASBYLNQN-HXUWFJFHSA-N 2 0 344.478 3.267 20 0 EGADRP c1cc(N2CCCC2)ncc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232183 1297373333 /nfs/dbraw/zinc/37/33/33/1297373333.db2.gz BHYGUTHZNMXZHC-SFHVURJKSA-N 2 0 328.504 3.084 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(N2CCCC2=O)c1 ZINC000873236807 1297379026 /nfs/dbraw/zinc/37/90/26/1297379026.db2.gz FHLVQBVFCGDVOC-MRXNPFEDSA-N 2 0 349.478 3.310 20 0 EGADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(N2CCCC2=O)cc1 ZINC000873237431 1297380907 /nfs/dbraw/zinc/38/09/07/1297380907.db2.gz NBGLUCXXUQQRKE-MRXNPFEDSA-N 2 0 349.478 3.310 20 0 EGADRP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC000873243212 1297383405 /nfs/dbraw/zinc/38/34/05/1297383405.db2.gz JQWXNOHEEUAFJP-SJORKVTESA-N 2 0 327.476 3.030 20 0 EGADRP COc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C(C)C)c(Br)c1 ZINC000873249252 1297390021 /nfs/dbraw/zinc/39/00/21/1297390021.db2.gz JNIMMYWMMKTYEW-BFQNTYOBSA-N 2 0 341.293 3.482 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000873289279 1297411201 /nfs/dbraw/zinc/41/12/01/1297411201.db2.gz GJFWRPHBZKUFBF-GXTWGEPZSA-N 2 0 326.843 3.288 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873291428 1297412758 /nfs/dbraw/zinc/41/27/58/1297412758.db2.gz GQZMVEHJHNZUDI-IEBWSBKVSA-N 2 0 348.918 3.409 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2ccsc2S1 ZINC000873293286 1297415287 /nfs/dbraw/zinc/41/52/87/1297415287.db2.gz YTZQGAUEZRXGQG-KCQAQPDRSA-N 2 0 338.542 3.422 20 0 EGADRP CC1([NH+]2CCCCC2)CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000873330704 1297440019 /nfs/dbraw/zinc/44/00/19/1297440019.db2.gz CEJITBFBOROWJC-UHFFFAOYSA-N 2 0 342.487 3.162 20 0 EGADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000383326313 1297570060 /nfs/dbraw/zinc/57/00/60/1297570060.db2.gz CMBMZRGMDHYDJZ-XLIONFOSSA-N 2 0 344.886 3.485 20 0 EGADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000391574211 1297644611 /nfs/dbraw/zinc/64/46/11/1297644611.db2.gz YEQVCYAQHIYPEA-INIZCTEOSA-N 2 0 330.394 3.060 20 0 EGADRP CCCN1CC[C@H]([NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511972 1297730532 /nfs/dbraw/zinc/73/05/32/1297730532.db2.gz LTSHBNNPMBICRD-RDJZCZTQSA-N 2 0 339.524 3.096 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000401525503 1297742619 /nfs/dbraw/zinc/74/26/19/1297742619.db2.gz TWBUQFLBASIGJN-INIZCTEOSA-N 2 0 339.524 3.237 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404518648 1297755340 /nfs/dbraw/zinc/75/53/40/1297755340.db2.gz URAHURMOWARMEL-ZMMAXQRCSA-N 2 0 331.504 3.014 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000404542246 1297755539 /nfs/dbraw/zinc/75/55/39/1297755539.db2.gz RGVMZHXESSLASH-LUKYLMHMSA-N 2 0 349.519 3.039 20 0 EGADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444804517 1297861265 /nfs/dbraw/zinc/86/12/65/1297861265.db2.gz PPAATNVYDOXFKK-DOTOQJQBSA-N 2 0 340.471 3.189 20 0 EGADRP CO[C@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCC2 ZINC000453099688 1297889653 /nfs/dbraw/zinc/88/96/53/1297889653.db2.gz WRAOJGKCFMSMGO-OALUTQOASA-N 2 0 332.488 3.064 20 0 EGADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000496286149 1297951431 /nfs/dbraw/zinc/95/14/31/1297951431.db2.gz STGHDXWIBODMQB-AEFFLSMTSA-N 2 0 339.911 3.357 20 0 EGADRP OC1(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)CCC1 ZINC000691916452 1298138667 /nfs/dbraw/zinc/13/86/67/1298138667.db2.gz HARXDCSOHHSEGP-UHFFFAOYSA-N 2 0 328.500 3.280 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700805375 1298179601 /nfs/dbraw/zinc/17/96/01/1298179601.db2.gz SHZVTBPWZOIEQO-IRXDYDNUSA-N 2 0 341.540 3.105 20 0 EGADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000704493330 1298207891 /nfs/dbraw/zinc/20/78/91/1298207891.db2.gz FBFARANFGONLLD-RBUKOAKNSA-N 2 0 345.531 3.167 20 0 EGADRP [NH3+]CCCCCC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709627918 1298250090 /nfs/dbraw/zinc/25/00/90/1298250090.db2.gz KEZRENNHVYHZGO-IBGZPJMESA-N 2 0 331.504 3.067 20 0 EGADRP [NH3+]CC[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000723687345 1298341614 /nfs/dbraw/zinc/34/16/14/1298341614.db2.gz TUZLWDGGKPTSFJ-NSHDSACASA-N 2 0 347.684 3.152 20 0 EGADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000876730910 1298944546 /nfs/dbraw/zinc/94/45/46/1298944546.db2.gz MEPLWKHMIPLJCC-GOSISDBHSA-N 2 0 347.503 3.095 20 0 EGADRP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000876949226 1299082983 /nfs/dbraw/zinc/08/29/83/1299082983.db2.gz OZYAFRXECDELDQ-CEWLAPEOSA-N 2 0 327.516 3.284 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000877528491 1299370578 /nfs/dbraw/zinc/37/05/78/1299370578.db2.gz BOVFWYDURSRLOZ-FFSVYQOJSA-N 2 0 331.287 3.489 20 0 EGADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1ccccc1 ZINC000877832709 1299601049 /nfs/dbraw/zinc/60/10/49/1299601049.db2.gz PTNRHRUBOOQGEK-WOJBJXKFSA-N 2 0 325.456 3.152 20 0 EGADRP O=C1[C@@H]2CCCCC[C@@H]2N1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752802368 1299796934 /nfs/dbraw/zinc/79/69/34/1299796934.db2.gz IKVNJSGEDDZFJK-UXHICEINSA-N 2 0 347.547 3.323 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(CF)cc3)CC2)CC1 ZINC000755234480 1300304424 /nfs/dbraw/zinc/30/44/24/1300304424.db2.gz DSUWOAMHEBZBFW-UHFFFAOYSA-N 2 0 333.495 3.006 20 0 EGADRP CN(CCC[NH+]1CCC2(CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC000879251174 1300453944 /nfs/dbraw/zinc/45/39/44/1300453944.db2.gz PZAGHZVSCIHZGY-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP C[C@H](CCSc1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593799 1300619094 /nfs/dbraw/zinc/61/90/94/1300619094.db2.gz NSHILWWYXIKRHQ-GOSISDBHSA-N 2 0 347.572 3.269 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCCC1 ZINC000765256038 1302231085 /nfs/dbraw/zinc/23/10/85/1302231085.db2.gz RSGFHMSJWYRQNM-QZTJIDSGSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000765256040 1302231412 /nfs/dbraw/zinc/23/14/12/1302231412.db2.gz RSGFHMSJWYRQNM-ZWKOTPCHSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCCC1 ZINC000765257209 1302231545 /nfs/dbraw/zinc/23/15/45/1302231545.db2.gz XWIGEISEIQBETQ-ROUUACIJSA-N 2 0 333.520 3.152 20 0 EGADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000885919018 1303275832 /nfs/dbraw/zinc/27/58/32/1303275832.db2.gz HRJWEYWHSHNYQH-MOPGFXCFSA-N 2 0 338.536 3.205 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885922903 1303278358 /nfs/dbraw/zinc/27/83/58/1303278358.db2.gz LAQORHQGMCWBMF-HXUWFJFHSA-N 2 0 346.515 3.345 20 0 EGADRP C[NH+](Cc1cscn1)[C@H]1CC[C@H]([N@H+](C)Cc2cscn2)CC1 ZINC000886393826 1303455331 /nfs/dbraw/zinc/45/53/31/1303455331.db2.gz DLJUGADLJRWRGQ-WKILWMFISA-N 2 0 336.530 3.475 20 0 EGADRP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000886839700 1303617272 /nfs/dbraw/zinc/61/72/72/1303617272.db2.gz KMUNQOHBMUUMCM-WJMWBRGCSA-N 2 0 346.515 3.058 20 0 EGADRP C[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000775491842 1303973347 /nfs/dbraw/zinc/97/33/47/1303973347.db2.gz MEZNXMHQAWYSNQ-SVFBPWRDSA-N 2 0 329.532 3.361 20 0 EGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)cc1C[NH+]1CCCCC1 ZINC000776899922 1304218186 /nfs/dbraw/zinc/21/81/86/1304218186.db2.gz FELNXPAXKRGRQB-CVEARBPZSA-N 2 0 334.504 3.491 20 0 EGADRP CC[NH+]1CCC(Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000777583976 1304321468 /nfs/dbraw/zinc/32/14/68/1304321468.db2.gz UMRGPPAFQZOSPG-KRWDZBQOSA-N 2 0 331.504 3.303 20 0 EGADRP CN(C(=O)CCCC[NH+]1CCCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000779224756 1304544312 /nfs/dbraw/zinc/54/43/12/1304544312.db2.gz ICJVIAJIFFFKFQ-UHFFFAOYSA-N 2 0 337.552 3.366 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000780285409 1304671528 /nfs/dbraw/zinc/67/15/28/1304671528.db2.gz JJRHGOIZVNNRFP-SFHLNBCPSA-N 2 0 341.543 3.207 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC4CCC4)[C@H]3C2)cc1 ZINC000781420792 1304825205 /nfs/dbraw/zinc/82/52/05/1304825205.db2.gz FFGLESAUTFIVRE-JBACZVJFSA-N 2 0 328.500 3.446 20 0 EGADRP C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)C1CC[NH+](C)CC1 ZINC000781918390 1304891353 /nfs/dbraw/zinc/89/13/53/1304891353.db2.gz PSICJNLGGLDAIB-KRWDZBQOSA-N 2 0 332.488 3.220 20 0 EGADRP C[C@@H](CC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000784670275 1305270775 /nfs/dbraw/zinc/27/07/75/1305270775.db2.gz GZPDEUXRTRBOEF-IRXDYDNUSA-N 2 0 339.524 3.240 20 0 EGADRP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160206 1305272235 /nfs/dbraw/zinc/27/22/35/1305272235.db2.gz VPWQTDAWWOSIQM-OAQYLSRUSA-N 3 0 329.532 3.172 20 0 EGADRP C[C@H]1CN(Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000892333422 1305320550 /nfs/dbraw/zinc/32/05/50/1305320550.db2.gz CZKZKWBLVKMYFT-XBPNIJIESA-N 2 0 343.515 3.333 20 0 EGADRP COCCOC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000892581638 1305452106 /nfs/dbraw/zinc/45/21/06/1305452106.db2.gz ZVJZBGSDZDOLGA-ZWKOTPCHSA-N 2 0 334.504 3.202 20 0 EGADRP C[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)[NH+]1CCCCC1 ZINC000786912346 1305654448 /nfs/dbraw/zinc/65/44/48/1305654448.db2.gz RFRXYTVKGXLPID-SJORKVTESA-N 2 0 344.503 3.131 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000788479635 1305953497 /nfs/dbraw/zinc/95/34/97/1305953497.db2.gz XVPZMZPWZVDVCD-SJORKVTESA-N 2 0 343.298 3.225 20 0 EGADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788507524 1305959128 /nfs/dbraw/zinc/95/91/28/1305959128.db2.gz PLMSFRUKRWQUCB-DLBZAZTESA-N 2 0 341.540 3.342 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788543515 1305967609 /nfs/dbraw/zinc/96/76/09/1305967609.db2.gz VSWGDQJTCJBQLB-QGZVFWFLSA-N 2 0 345.874 3.453 20 0 EGADRP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788816567 1306022528 /nfs/dbraw/zinc/02/25/28/1306022528.db2.gz SYRZDKZSSTZKMT-OXQOHEQNSA-N 2 0 325.456 3.350 20 0 EGADRP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000894976696 1309141207 /nfs/dbraw/zinc/14/12/07/1309141207.db2.gz GADXWDCHKXSRAF-UHFFFAOYSA-N 2 0 344.425 3.129 20 0 EGADRP O=C1O[C@@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC12CCC2 ZINC000792209537 1309143929 /nfs/dbraw/zinc/14/39/29/1309143929.db2.gz QGIDUVZYAIKEDI-GOSISDBHSA-N 2 0 334.504 3.060 20 0 EGADRP Cc1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)ccc1-n1cncn1 ZINC000895683643 1309462985 /nfs/dbraw/zinc/46/29/85/1309462985.db2.gz QOGQUYVLMLENNZ-UHFFFAOYSA-N 2 0 341.503 3.274 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@@H]1c1cccs1 ZINC000896642935 1309951259 /nfs/dbraw/zinc/95/12/59/1309951259.db2.gz FMYRBDNFRSIKGQ-BFYDXBDKSA-N 2 0 349.544 3.120 20 0 EGADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000796653643 1310058083 /nfs/dbraw/zinc/05/80/83/1310058083.db2.gz PFCUWGKYHQYQPF-QBPKDAKJSA-N 2 0 339.524 3.094 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000798963469 1310465708 /nfs/dbraw/zinc/46/57/08/1310465708.db2.gz CEIDFSKIRUHWBE-SFHVURJKSA-N 2 0 325.456 3.012 20 0 EGADRP COc1cccc(-c2cc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)on2)c1 ZINC000897841670 1310487810 /nfs/dbraw/zinc/48/78/10/1310487810.db2.gz NPIRPXZGPRBAEQ-MQVJKMGUSA-N 2 0 327.428 3.065 20 0 EGADRP CCN(CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000799178182 1310500833 /nfs/dbraw/zinc/50/08/33/1310500833.db2.gz HEQOVPZJKKHJOZ-UHFFFAOYSA-N 2 0 335.458 3.069 20 0 EGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(CCO)cc3)CC2)C1 ZINC000898170694 1310611586 /nfs/dbraw/zinc/61/15/86/1310611586.db2.gz JSJAWLSCASJNER-UWJYYQICSA-N 2 0 330.516 3.354 20 0 EGADRP CC(C)n1ncc2cc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)c(Cl)nc21 ZINC000839181115 1320888264 /nfs/dbraw/zinc/88/82/64/1320888264.db2.gz GPGSHLWQMZVQAW-CQSZACIVSA-N 2 0 349.910 3.487 20 0 EGADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857261708 1328525499 /nfs/dbraw/zinc/52/54/99/1328525499.db2.gz XYBAFMMXIKYLNF-PXNSSMCTSA-N 2 0 345.531 3.346 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018938494 1316980534 /nfs/dbraw/zinc/98/05/34/1316980534.db2.gz QYXVQOUPZYVBNF-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018968097 1316989189 /nfs/dbraw/zinc/98/91/89/1316989189.db2.gz UFBHPSRCRCJFHX-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001019465330 1317260389 /nfs/dbraw/zinc/26/03/89/1317260389.db2.gz AKNTWTRGNLWKNG-AEFFLSMTSA-N 2 0 349.544 3.012 20 0 EGADRP C[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001019466229 1317261462 /nfs/dbraw/zinc/26/14/62/1317261462.db2.gz RXYPQFRRBBVDND-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001019632229 1317311618 /nfs/dbraw/zinc/31/16/18/1317311618.db2.gz FNDZEZZZVKLNAB-VQTJNVASSA-N 2 0 343.515 3.032 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019812470 1317437971 /nfs/dbraw/zinc/43/79/71/1317437971.db2.gz QQPHRTWPKQRUCV-IBGZPJMESA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001019822794 1317439727 /nfs/dbraw/zinc/43/97/27/1317439727.db2.gz DAUXQWUVBXGDMV-PMACEKPBSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555402 1317452202 /nfs/dbraw/zinc/45/22/02/1317452202.db2.gz AURGWAWRXVNDDT-IBGZPJMESA-N 2 0 349.563 3.366 20 0 EGADRP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000957560427 1317458071 /nfs/dbraw/zinc/45/80/71/1317458071.db2.gz ZOLNPEQLTKCFRP-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)CC1 ZINC000957592213 1317482783 /nfs/dbraw/zinc/48/27/83/1317482783.db2.gz QOAZRKBVLZCEMD-IBGZPJMESA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)C[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000957615379 1317497856 /nfs/dbraw/zinc/49/78/56/1317497856.db2.gz ZTSSFNWSQPJGGA-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647618 1317519518 /nfs/dbraw/zinc/51/95/18/1317519518.db2.gz PINYMVOENSSIGC-KDURUIRLSA-N 2 0 349.563 3.364 20 0 EGADRP CN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000902368229 1317569650 /nfs/dbraw/zinc/56/96/50/1317569650.db2.gz FUSKNHWIERJSKX-WBAXXEDZSA-N 2 0 337.458 3.078 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000902388326 1317571202 /nfs/dbraw/zinc/57/12/02/1317571202.db2.gz OMRIHSAWWNHIAS-DOTOQJQBSA-N 2 0 344.503 3.035 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3cccc(C)c3)C2)CC[N@@H+]1C ZINC001020175365 1317574886 /nfs/dbraw/zinc/57/48/86/1317574886.db2.gz LRLSHNMSMGIMFB-RACLHMPKSA-N 2 0 343.515 3.023 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000957711039 1317583155 /nfs/dbraw/zinc/58/31/55/1317583155.db2.gz VODPPRGPIQRUST-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1SC(F)(F)F ZINC000902514778 1317585048 /nfs/dbraw/zinc/58/50/48/1317585048.db2.gz PUHJKXGNVUKHQF-WCQYABFASA-N 2 0 334.407 3.155 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000957720414 1317588467 /nfs/dbraw/zinc/58/84/67/1317588467.db2.gz KKDQWBWEOQQCEU-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000957773041 1317637070 /nfs/dbraw/zinc/63/70/70/1317637070.db2.gz WCMMNIZGVBHDQM-UXHICEINSA-N 2 0 349.563 3.077 20 0 EGADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2ccccc2n1 ZINC000903104715 1317653512 /nfs/dbraw/zinc/65/35/12/1317653512.db2.gz WZUSXGPGPOBJSJ-ZNXRZULTSA-N 2 0 337.467 3.491 20 0 EGADRP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000903110839 1317654720 /nfs/dbraw/zinc/65/47/20/1317654720.db2.gz RNVROIBCIVZCDZ-BQAFMNHLSA-N 2 0 339.527 3.397 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1C ZINC000903115462 1317656207 /nfs/dbraw/zinc/65/62/07/1317656207.db2.gz NGQUYHLYVNWWHK-YNWKUBOOSA-N 2 0 330.516 3.434 20 0 EGADRP OC[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@@H]1c1ccc(F)cc1 ZINC000903159714 1317664874 /nfs/dbraw/zinc/66/48/74/1317664874.db2.gz HNEJZLZHDOSDKJ-QQFYDIPVSA-N 2 0 344.474 3.039 20 0 EGADRP c1ccc(CN2CC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903204159 1317674190 /nfs/dbraw/zinc/67/41/90/1317674190.db2.gz QQJRRMRWQRVASQ-VCYXJBJXSA-N 2 0 325.500 3.008 20 0 EGADRP Fc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1Br ZINC000903451589 1317702227 /nfs/dbraw/zinc/70/22/27/1317702227.db2.gz BNFKKMBBDVBDHB-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725833 1317725824 /nfs/dbraw/zinc/72/58/24/1317725824.db2.gz IBPIAFISOCHWII-MXEMCNAFSA-N 2 0 328.500 3.413 20 0 EGADRP Clc1ccc2c(c1Cl)CCN(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903726457 1317726330 /nfs/dbraw/zinc/72/63/30/1317726330.db2.gz LXEPRPDIXFQTQL-CXAGYDPISA-N 2 0 341.282 3.120 20 0 EGADRP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730388 1317727358 /nfs/dbraw/zinc/72/73/58/1317727358.db2.gz WBVLBAJUAIOTBT-UXHICEINSA-N 2 0 328.500 3.161 20 0 EGADRP c1ccc(SC[C@@H]2CC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903733945 1317727456 /nfs/dbraw/zinc/72/74/56/1317727456.db2.gz NCAYHGFWDHJGDX-MSOLQXFVSA-N 2 0 346.540 3.259 20 0 EGADRP c1ccc2sc([C@@H]3CCC[N@H+]3C[C@H]3C[C@]4(CC[NH2+]C4)CO3)nc2c1 ZINC000903734484 1317727639 /nfs/dbraw/zinc/72/76/39/1317727639.db2.gz ZFSVGJBKGZHCTD-ALKREAHSSA-N 2 0 343.496 3.202 20 0 EGADRP Cc1nc([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)sc1C ZINC000903735481 1317728141 /nfs/dbraw/zinc/72/81/41/1317728141.db2.gz AQNIIFJUAHTGOV-DLBZAZTESA-N 2 0 349.544 3.098 20 0 EGADRP CC(C)c1noc([C@H](C)[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903794346 1317736467 /nfs/dbraw/zinc/73/64/67/1317736467.db2.gz RAVDSSLRFCZCNV-HNNXBMFYSA-N 2 0 328.460 3.247 20 0 EGADRP CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001020519604 1317739491 /nfs/dbraw/zinc/73/94/91/1317739491.db2.gz NLYSIRVMWMEKBT-XQZJPKQNSA-N 2 0 347.503 3.018 20 0 EGADRP COc1ccccc1COC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903914013 1317747464 /nfs/dbraw/zinc/74/74/64/1317747464.db2.gz SBMBNQVQKBRHCC-JLYLLQBASA-N 2 0 344.499 3.207 20 0 EGADRP c1ccc(C[NH+]2CCC(C[NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000903922395 1317749064 /nfs/dbraw/zinc/74/90/64/1317749064.db2.gz WPGVDNASMHNUHI-UHFFFAOYSA-N 3 0 349.522 3.334 20 0 EGADRP Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000903921901 1317749333 /nfs/dbraw/zinc/74/93/33/1317749333.db2.gz SJUYVMWFWRUVIV-UHFFFAOYSA-N 2 0 346.478 3.425 20 0 EGADRP COc1ccccc1COC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904345264 1317834428 /nfs/dbraw/zinc/83/44/28/1317834428.db2.gz GFMMYRDXJKFHLL-HXUWFJFHSA-N 2 0 332.488 3.066 20 0 EGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904582998 1317866313 /nfs/dbraw/zinc/86/63/13/1317866313.db2.gz BDMOGPZVCAFLOS-UHFFFAOYSA-N 2 0 344.459 3.069 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)C1 ZINC001021380696 1318223722 /nfs/dbraw/zinc/22/37/22/1318223722.db2.gz QGUDWXLMEBVRSI-VOBGVNJCSA-N 2 0 347.547 3.020 20 0 EGADRP OCc1cc(N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc[nH+]1 ZINC000858403635 1328754260 /nfs/dbraw/zinc/75/42/60/1328754260.db2.gz IGSAHGNQYAKBBW-INIZCTEOSA-N 2 0 349.837 3.443 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960007331 1318309236 /nfs/dbraw/zinc/30/92/36/1318309236.db2.gz NUMOUYIFRCEUSG-ZWKOTPCHSA-N 2 0 349.544 3.092 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100764794 1364251912 /nfs/dbraw/zinc/25/19/12/1364251912.db2.gz GEAWLHZHQKHFHA-UHFFFAOYSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000908501874 1318356015 /nfs/dbraw/zinc/35/60/15/1318356015.db2.gz JMQSIYIMVRYXEQ-BRWVUGGUSA-N 2 0 335.536 3.019 20 0 EGADRP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000960309630 1318454035 /nfs/dbraw/zinc/45/40/35/1318454035.db2.gz DOOJKOQCGJUDEK-PWIZWCRZSA-N 2 0 343.515 3.033 20 0 EGADRP CCSc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000930061129 1328775391 /nfs/dbraw/zinc/77/53/91/1328775391.db2.gz QOEMQPDOCSYKMM-FGTMMUONSA-N 2 0 334.529 3.482 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858490589 1328777312 /nfs/dbraw/zinc/77/73/12/1328777312.db2.gz KBYNQXBNQVPWHW-IRXDYDNUSA-N 2 0 329.488 3.196 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001021906733 1318727270 /nfs/dbraw/zinc/72/72/70/1318727270.db2.gz XARNKPGMIKZGGV-QLIIJSOBSA-N 2 0 343.515 3.202 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960662473 1318781403 /nfs/dbraw/zinc/78/14/03/1318781403.db2.gz IHLYVXMNYAEDLT-QGZVFWFLSA-N 2 0 349.544 3.146 20 0 EGADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1)C1CC1 ZINC000960685104 1318791860 /nfs/dbraw/zinc/79/18/60/1318791860.db2.gz UASDRBZPDWDWRZ-WOJBJXKFSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1)[NH+]1CCCCCC1 ZINC001022806819 1319118478 /nfs/dbraw/zinc/11/84/78/1319118478.db2.gz BCFDIZLVXKEJEA-KPZODNFCSA-N 2 0 349.563 3.314 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001022809420 1319120056 /nfs/dbraw/zinc/12/00/56/1319120056.db2.gz LSZRJIQMCDELBQ-HSALFYBXSA-N 2 0 343.515 3.106 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000961027755 1319149956 /nfs/dbraw/zinc/14/99/56/1319149956.db2.gz OVFOJXGZUAUQOO-LJQANCHMSA-N 2 0 343.515 3.085 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000961031735 1319156370 /nfs/dbraw/zinc/15/63/70/1319156370.db2.gz OFDVQZJBDFGWML-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)c1 ZINC001023126108 1319273702 /nfs/dbraw/zinc/27/37/02/1319273702.db2.gz IANDCOXNDSRKOF-BGYRXZFFSA-N 2 0 343.515 3.179 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290978 1319449968 /nfs/dbraw/zinc/44/99/68/1319449968.db2.gz FJNKHDAMSZDJEE-VQTJNVASSA-N 2 0 349.563 3.223 20 0 EGADRP FC(F)(F)SCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817889135 1319450642 /nfs/dbraw/zinc/45/06/42/1319450642.db2.gz MQSSRGCTRDNEPG-TZMCWYRMSA-N 2 0 332.391 3.085 20 0 EGADRP CCc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc(=O)oc2c1 ZINC000817880415 1319451820 /nfs/dbraw/zinc/45/18/20/1319451820.db2.gz SQTLEZBUWIZYBE-CPUCHLNUSA-N 2 0 328.456 3.161 20 0 EGADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000817895207 1319453614 /nfs/dbraw/zinc/45/36/14/1319453614.db2.gz VCRHQANFLBXBNZ-ZLGUVYLKSA-N 2 0 342.483 3.055 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Br)cc1F ZINC000817902559 1319456141 /nfs/dbraw/zinc/45/61/41/1319456141.db2.gz TYWIMIVLXXSFLT-NHYWBVRUSA-N 2 0 329.257 3.108 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000817922135 1319461952 /nfs/dbraw/zinc/46/19/52/1319461952.db2.gz RKPAEZOWOFAAMS-NVXWUHKLSA-N 2 0 331.460 3.044 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817923286 1319462003 /nfs/dbraw/zinc/46/20/03/1319462003.db2.gz VXWORRFWOZQWMU-SBGRQLAYSA-N 2 0 339.483 3.330 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000817922969 1319462407 /nfs/dbraw/zinc/46/24/07/1319462407.db2.gz CBCZIBXRTSSDTB-SQGPQFPESA-N 2 0 340.467 3.229 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cc(F)cc(Cl)c1 ZINC000817927894 1319463872 /nfs/dbraw/zinc/46/38/72/1319463872.db2.gz SNWXRJXUNQFVNL-QBPKDAKJSA-N 2 0 326.843 3.023 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817948763 1319473072 /nfs/dbraw/zinc/47/30/72/1319473072.db2.gz LGRSJTNVUXRXJN-INIZCTEOSA-N 2 0 328.456 3.064 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(N2CCOC2=O)cc1 ZINC000817969515 1319480689 /nfs/dbraw/zinc/48/06/89/1319480689.db2.gz VTCGTKYYYDOMKQ-CQSZACIVSA-N 2 0 337.423 3.097 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(N2CCCC2=O)cc1 ZINC000817968502 1319481320 /nfs/dbraw/zinc/48/13/20/1319481320.db2.gz KKCGZBZZTYIUCZ-OAHLLOKOSA-N 2 0 335.451 3.267 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1C[NH+]1CCCCC1 ZINC000817983662 1319485191 /nfs/dbraw/zinc/48/51/91/1319485191.db2.gz HQLHNLDBKDYJJA-KRWDZBQOSA-N 3 0 345.531 3.474 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Br)ncc1F ZINC000817987827 1319486669 /nfs/dbraw/zinc/48/66/69/1319486669.db2.gz YNVJWLAQYIDNLB-FIQHERPVSA-N 2 0 342.256 3.022 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000817987179 1319487029 /nfs/dbraw/zinc/48/70/29/1319487029.db2.gz XLBGCCBUNTXZJK-DOTOQJQBSA-N 2 0 327.472 3.139 20 0 EGADRP O=C(NC[C@@H]1CCC[N@H+](CC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001023413713 1319517419 /nfs/dbraw/zinc/51/74/19/1319517419.db2.gz IBIGQZKFHWNBLI-AZUAARDMSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379918 1319536068 /nfs/dbraw/zinc/53/60/68/1319536068.db2.gz XEFCZMCZKCEOGK-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961406170 1319563783 /nfs/dbraw/zinc/56/37/83/1319563783.db2.gz PEMCCTIRKDPQOE-LJQANCHMSA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818980920 1319602303 /nfs/dbraw/zinc/60/23/03/1319602303.db2.gz PEKLZAFGVVMEOS-WBMJQRKESA-N 2 0 331.287 3.348 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000819187395 1319662088 /nfs/dbraw/zinc/66/20/88/1319662088.db2.gz JGLOXYZHFKCYRV-MHJFOBGBSA-N 2 0 334.479 3.492 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023632249 1319752997 /nfs/dbraw/zinc/75/29/97/1319752997.db2.gz HVKWFUWOPZXSTE-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961907483 1319769102 /nfs/dbraw/zinc/76/91/02/1319769102.db2.gz MLZHWPOMFSWFAQ-SOAGJPPSSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962025136 1319803215 /nfs/dbraw/zinc/80/32/15/1319803215.db2.gz VBAXOHNIGBNFOP-SOAGJPPSSA-N 2 0 347.547 3.092 20 0 EGADRP O=C(NC1CC(C[NH2+]CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC000962034103 1319803884 /nfs/dbraw/zinc/80/38/84/1319803884.db2.gz XLQPFCNEIDSIIT-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761540 1319909020 /nfs/dbraw/zinc/90/90/20/1319909020.db2.gz BZRBOZJMKQBRSP-LJQANCHMSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820808977 1319956607 /nfs/dbraw/zinc/95/66/07/1319956607.db2.gz QYNVLMVYRUAMKA-KRWDZBQOSA-N 2 0 339.483 3.105 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NC2CC(C[NH2+]CC3CCCC3)C2)cc1 ZINC000962426036 1319958210 /nfs/dbraw/zinc/95/82/10/1319958210.db2.gz JCNUYAIRRGRSAJ-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(C[NH3+])c2)cc1 ZINC000826762776 1320402643 /nfs/dbraw/zinc/40/26/43/1320402643.db2.gz VXYIAVGRNZVQFN-UHFFFAOYSA-N 2 0 341.455 3.118 20 0 EGADRP Cc1nc(-c2cccc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)[nH]c1C ZINC000827598761 1320461582 /nfs/dbraw/zinc/46/15/82/1320461582.db2.gz BYKZDURXIPSXEA-ZWKOTPCHSA-N 2 0 338.455 3.268 20 0 EGADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2csc3ccccc32)CC1 ZINC000839552000 1320937039 /nfs/dbraw/zinc/93/70/39/1320937039.db2.gz HCPQJFHEUOXXEA-AWEZNQCLSA-N 2 0 345.512 3.152 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000840724042 1321135464 /nfs/dbraw/zinc/13/54/64/1321135464.db2.gz HXFCDBNKXPJSLC-IPJUCJBFSA-N 2 0 331.504 3.408 20 0 EGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841080121 1321214831 /nfs/dbraw/zinc/21/48/31/1321214831.db2.gz QJIRIYZYQJZFPV-INIZCTEOSA-N 2 0 330.863 3.066 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CC2(N(C)C)CC2)cc1C[NH+]1CCCCC1 ZINC000841764346 1321309167 /nfs/dbraw/zinc/30/91/67/1321309167.db2.gz WUVVNSPJXYKUMP-KRWDZBQOSA-N 2 0 345.531 3.426 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2cc1C ZINC000842474219 1321393009 /nfs/dbraw/zinc/39/30/09/1321393009.db2.gz KIRYPKFPHUDFNJ-VQIMIIECSA-N 2 0 340.467 3.374 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842677795 1321417262 /nfs/dbraw/zinc/41/72/62/1321417262.db2.gz JRLKKTVNIAXNDM-UHFFFAOYSA-N 2 0 346.700 3.319 20 0 EGADRP CCOc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1OC(F)F ZINC000843056423 1321462962 /nfs/dbraw/zinc/46/29/62/1321462962.db2.gz JNVHKTKOJUCUEH-UHFFFAOYSA-N 2 0 328.403 3.388 20 0 EGADRP CCOc1cc(C[NH+]2CCC(CC[NH2+]C)CC2)ccc1OC(=O)CC ZINC000843057663 1321463916 /nfs/dbraw/zinc/46/39/16/1321463916.db2.gz QLIGCTFYXMISCJ-UHFFFAOYSA-N 2 0 348.487 3.222 20 0 EGADRP [NH3+]C[C@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)c1ccccc1 ZINC000843173685 1321481563 /nfs/dbraw/zinc/48/15/63/1321481563.db2.gz QVURBABYQYXQOM-IBGZPJMESA-N 2 0 348.450 3.423 20 0 EGADRP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843342884 1321503050 /nfs/dbraw/zinc/50/30/50/1321503050.db2.gz RFAUGMHVIWOSSJ-SCDSUCTJSA-N 2 0 327.241 3.066 20 0 EGADRP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354877 1321505494 /nfs/dbraw/zinc/50/54/94/1321505494.db2.gz IZVNHZUVCPIDPN-UHFFFAOYSA-N 2 0 330.428 3.311 20 0 EGADRP O=C(OCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000844264705 1321583056 /nfs/dbraw/zinc/58/30/56/1321583056.db2.gz MWIAKAAHRUTZPO-UHFFFAOYSA-N 2 0 330.472 3.315 20 0 EGADRP CC(C)c1ccccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000848532329 1321970747 /nfs/dbraw/zinc/97/07/47/1321970747.db2.gz FKIIQCKRCCSLJZ-UHFFFAOYSA-N 2 0 329.532 3.458 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)Cc1ccccc1 ZINC000849063548 1322063393 /nfs/dbraw/zinc/06/33/93/1322063393.db2.gz JAVZXDOEPRWUOM-PKOBYXMFSA-N 2 0 330.520 3.196 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(Cl)cc1 ZINC000849070698 1322066341 /nfs/dbraw/zinc/06/63/41/1322066341.db2.gz UQFQJKPSIIVRKE-MRXNPFEDSA-N 2 0 336.911 3.216 20 0 EGADRP C[C@H]1CC[C@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849093998 1322076316 /nfs/dbraw/zinc/07/63/16/1322076316.db2.gz SIKPDBJBKUMMRC-WMZOPIPTSA-N 2 0 328.504 3.201 20 0 EGADRP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCCCC1 ZINC000849107297 1322081542 /nfs/dbraw/zinc/08/15/42/1322081542.db2.gz OIPWKQCWRVABNI-GFCCVEGCSA-N 2 0 344.381 3.396 20 0 EGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000920181393 1322148065 /nfs/dbraw/zinc/14/80/65/1322148065.db2.gz VPZSZJMLWQUWEA-HNNXBMFYSA-N 2 0 332.517 3.438 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850435484 1322249085 /nfs/dbraw/zinc/24/90/85/1322249085.db2.gz AHMMIHVIVPDORP-IAGOWNOFSA-N 2 0 344.499 3.163 20 0 EGADRP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)C1CC[NH+](CC2CC2)CC1 ZINC000850582110 1322273062 /nfs/dbraw/zinc/27/30/62/1322273062.db2.gz HNJWPEUQHNQMPK-IXDOHACOSA-N 2 0 326.575 3.078 20 0 EGADRP Cn1c2ccccc2nc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922511205 1322545761 /nfs/dbraw/zinc/54/57/61/1322545761.db2.gz YFKDOYGAGLXSGB-UHFFFAOYSA-N 2 0 326.488 3.460 20 0 EGADRP O[C@H](CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363798 1322740516 /nfs/dbraw/zinc/74/05/16/1322740516.db2.gz FVCNVHLGNSBIGW-JCURWCKSSA-N 2 0 343.298 3.491 20 0 EGADRP O[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923362489 1322740908 /nfs/dbraw/zinc/74/09/08/1322740908.db2.gz NMTNSTBQRCVSBE-CKEIUWERSA-N 2 0 342.405 3.060 20 0 EGADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486134 1322760689 /nfs/dbraw/zinc/76/06/89/1322760689.db2.gz NOIZKYGQLACJFK-BBWFWOEESA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923532024 1322770483 /nfs/dbraw/zinc/77/04/83/1322770483.db2.gz XLNFDIOGOZFMOU-ZBFHGGJFSA-N 2 0 340.920 3.320 20 0 EGADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000924578530 1323060616 /nfs/dbraw/zinc/06/06/16/1323060616.db2.gz BBAKXRDPBKRZRI-RTWAWAEBSA-N 2 0 340.515 3.243 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1coc2ccccc21)N1CC[NH+](C)CC1 ZINC000924630272 1323083998 /nfs/dbraw/zinc/08/39/98/1323083998.db2.gz AGUBIXDPIWRCSL-VQIMIIECSA-N 2 0 329.488 3.355 20 0 EGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnnn1-c1ccccc1 ZINC000924688268 1323113590 /nfs/dbraw/zinc/11/35/90/1323113590.db2.gz SIWBMPOEEPZUHF-MSOLQXFVSA-N 2 0 341.503 3.430 20 0 EGADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024118601 1323148158 /nfs/dbraw/zinc/14/81/58/1323148158.db2.gz GMAKMJRQENKOMQ-UYAOXDASSA-N 2 0 347.547 3.022 20 0 EGADRP CON1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000924862815 1323190120 /nfs/dbraw/zinc/19/01/20/1323190120.db2.gz YZFLSWNQBWKBDC-UHFFFAOYSA-N 2 0 331.504 3.178 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001024211782 1323208456 /nfs/dbraw/zinc/20/84/56/1323208456.db2.gz ILCYFPYJAPPXBC-FQEVSTJZSA-N 2 0 347.547 3.047 20 0 EGADRP COc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](CCC(C)C)CC3)C2)c1 ZINC000924932518 1323219122 /nfs/dbraw/zinc/21/91/22/1323219122.db2.gz CUJLZEWDKUKGMM-IBGZPJMESA-N 2 0 345.531 3.374 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925071540 1323266246 /nfs/dbraw/zinc/26/62/46/1323266246.db2.gz PXFYRLZSAHJCAN-KFKAGJAMSA-N 2 0 331.504 3.046 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000853062131 1323271490 /nfs/dbraw/zinc/27/14/90/1323271490.db2.gz JLNOYZFOYDUFGI-DYESRHJHSA-N 2 0 339.483 3.279 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925093828 1323277331 /nfs/dbraw/zinc/27/73/31/1323277331.db2.gz MAEYASJNBJVYHA-IAGOWNOFSA-N 2 0 346.515 3.066 20 0 EGADRP CN(C(=O)CC[NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000853101909 1323283127 /nfs/dbraw/zinc/28/31/27/1323283127.db2.gz IRXAPKNWXSYGAS-UHFFFAOYSA-N 2 0 343.515 3.426 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557331 1323496860 /nfs/dbraw/zinc/49/68/60/1323496860.db2.gz RMPODAHUJDQCLV-GOSISDBHSA-N 2 0 342.487 3.355 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711198 1323618054 /nfs/dbraw/zinc/61/80/54/1323618054.db2.gz IAFMKJQRTRNQMQ-QFBILLFUSA-N 2 0 349.494 3.081 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024812998 1323716226 /nfs/dbraw/zinc/71/62/26/1323716226.db2.gz VALQUXYDWUESLO-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001024902147 1323772169 /nfs/dbraw/zinc/77/21/69/1323772169.db2.gz IYWCIZYLNYRMBW-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025002869 1323821948 /nfs/dbraw/zinc/82/19/48/1323821948.db2.gz LDROPXSJCACHJY-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001025038074 1323840832 /nfs/dbraw/zinc/84/08/32/1323840832.db2.gz QFRBDIWUXGBYID-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001025160971 1323929929 /nfs/dbraw/zinc/92/99/29/1323929929.db2.gz WWOFERFKCQBWLQ-UYAOXDASSA-N 2 0 343.515 3.123 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001025160970 1323930415 /nfs/dbraw/zinc/93/04/15/1323930415.db2.gz WWOFERFKCQBWLQ-AZUAARDMSA-N 2 0 343.515 3.123 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001025168616 1323937076 /nfs/dbraw/zinc/93/70/76/1323937076.db2.gz PXRQOJNGRQBAKA-MSOLQXFVSA-N 2 0 349.544 3.093 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265008 1324076703 /nfs/dbraw/zinc/07/67/03/1324076703.db2.gz CUBYWVNLVMXXQE-MOPGFXCFSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461289 1324306976 /nfs/dbraw/zinc/30/69/76/1324306976.db2.gz RWCJXJVEUXOWIN-NVXWUHKLSA-N 2 0 342.487 3.273 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484649 1324333100 /nfs/dbraw/zinc/33/31/00/1324333100.db2.gz HEPUJFNDIIDTIA-IAGOWNOFSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025529076 1324376462 /nfs/dbraw/zinc/37/64/62/1324376462.db2.gz YLGXKKUJVQPQMF-FXAWDEMLSA-N 2 0 345.531 3.029 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025589363 1324433882 /nfs/dbraw/zinc/43/38/82/1324433882.db2.gz FIPBWJLCUDAJBO-YLJYHZDGSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026492450 1324846146 /nfs/dbraw/zinc/84/61/46/1324846146.db2.gz MOAFZWHMWPGCHE-ACBHZAAOSA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)(C(=O)NC1CCC([NH2+]CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001026494177 1324846800 /nfs/dbraw/zinc/84/68/00/1324846800.db2.gz FDHDNBLNQGWYBU-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001026497079 1324848333 /nfs/dbraw/zinc/84/83/33/1324848333.db2.gz KCQFDHZSDWSYNY-WZOJCFFYSA-N 2 0 349.563 3.170 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026506796 1324854918 /nfs/dbraw/zinc/85/49/18/1324854918.db2.gz GJHLVGPLJXKONS-CTWPCTMYSA-N 2 0 335.536 3.066 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026515832 1324862147 /nfs/dbraw/zinc/86/21/47/1324862147.db2.gz LQEJHJZGNGDEAA-MHJFOBGBSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026519911 1324864268 /nfs/dbraw/zinc/86/42/68/1324864268.db2.gz YZCZIRCQMZMAMF-SOAGJPPSSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC001026561107 1324896667 /nfs/dbraw/zinc/89/66/67/1324896667.db2.gz ONVRZHGBDSTYRQ-QHGAOEGBSA-N 2 0 349.563 3.316 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026590814 1324916654 /nfs/dbraw/zinc/91/66/54/1324916654.db2.gz IIGNZCRZZXVUHC-ACBHZAAOSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2CCC(NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001026605761 1324927787 /nfs/dbraw/zinc/92/77/87/1324927787.db2.gz ALIYYGRHIQUFTR-KKXNLOMOSA-N 2 0 343.515 3.169 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001026888464 1325063853 /nfs/dbraw/zinc/06/38/53/1325063853.db2.gz GJJVHLDVXCFNHV-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+]1CCC(CC[NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000925157327 1325068421 /nfs/dbraw/zinc/06/84/21/1325068421.db2.gz QVKUNKLAWITATL-UHFFFAOYSA-N 2 0 345.531 3.294 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001026941189 1325092932 /nfs/dbraw/zinc/09/29/32/1325092932.db2.gz BSLGFCLGALLGBU-DLBZAZTESA-N 2 0 348.450 3.147 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963319382 1325104876 /nfs/dbraw/zinc/10/48/76/1325104876.db2.gz NYOUZIBUVZEKMT-CTWPCTMYSA-N 2 0 335.536 3.019 20 0 EGADRP CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000963331403 1325117319 /nfs/dbraw/zinc/11/73/19/1325117319.db2.gz KCDJNOBVIPCKNQ-VIQWUECVSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000963344368 1325135015 /nfs/dbraw/zinc/13/50/15/1325135015.db2.gz OCSDCVQLXDUKEO-SGZDXZSOSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360371 1325155493 /nfs/dbraw/zinc/15/54/93/1325155493.db2.gz MIRRBOXKKHAVEQ-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cc(Br)ccc1F ZINC000925482347 1325169935 /nfs/dbraw/zinc/16/99/35/1325169935.db2.gz QOFRMTMPTDLJMK-FFMGESDNSA-N 2 0 341.268 3.236 20 0 EGADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925497598 1325178505 /nfs/dbraw/zinc/17/85/05/1325178505.db2.gz IFSCNPPXDMJQMA-BMFZPTHFSA-N 2 0 339.405 3.144 20 0 EGADRP C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925501424 1325179207 /nfs/dbraw/zinc/17/92/07/1325179207.db2.gz HZCZAXUPXZOOBQ-CMJOXMDJSA-N 2 0 330.497 3.336 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N[C@H]1CC[NH2+]C12CCC2 ZINC000925554900 1325206116 /nfs/dbraw/zinc/20/61/16/1325206116.db2.gz FALHSQITPDCHOX-LMMKCTJWSA-N 2 0 327.516 3.017 20 0 EGADRP COC(=O)Nc1ccc(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925580761 1325219485 /nfs/dbraw/zinc/21/94/85/1325219485.db2.gz MMVMYBUEVVNNFU-IBGZPJMESA-N 2 0 341.455 3.477 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000925598715 1325227646 /nfs/dbraw/zinc/22/76/46/1325227646.db2.gz TVVQTCDXFSCRIQ-IBGZPJMESA-N 2 0 343.446 3.015 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000925602902 1325228511 /nfs/dbraw/zinc/22/85/11/1325228511.db2.gz YQGVEUBESOYBRE-QFPCPSKISA-N 2 0 346.862 3.038 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000925653839 1325248639 /nfs/dbraw/zinc/24/86/39/1325248639.db2.gz ZYOBIUUMNFQGKN-PCCBWWKXSA-N 2 0 342.458 3.362 20 0 EGADRP c1ccc([C@@H]2CO[C@H](C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925705463 1325265465 /nfs/dbraw/zinc/26/54/65/1325265465.db2.gz CDQCGPWFPMMPFQ-BURNTYAHSA-N 2 0 328.500 3.317 20 0 EGADRP CC(C)([NH3+])CC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000925740289 1325276645 /nfs/dbraw/zinc/27/66/45/1325276645.db2.gz HURHBWFBBSRWMJ-LSDHHAIUSA-N 2 0 341.293 3.386 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000925861180 1325333647 /nfs/dbraw/zinc/33/36/47/1325333647.db2.gz ODGIIIWSZFNSLM-OMYXNUHHSA-N 2 0 327.516 3.476 20 0 EGADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963727724 1325389321 /nfs/dbraw/zinc/38/93/21/1325389321.db2.gz DXYGWOKSWDZRER-SOAGJPPSSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)[C@@H](O)c1ccccc1 ZINC000926330127 1325518037 /nfs/dbraw/zinc/51/80/37/1325518037.db2.gz CWXBKZXIEDFFNO-OSYNSWQESA-N 2 0 346.515 3.120 20 0 EGADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC1 ZINC000926544869 1327609931 /nfs/dbraw/zinc/60/99/31/1327609931.db2.gz GDAUKPFYWDZXJI-UYAOXDASSA-N 2 0 331.504 3.402 20 0 EGADRP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411116 1327637022 /nfs/dbraw/zinc/63/70/22/1327637022.db2.gz MRQQSOBHVRHUHU-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CNC(=O)CC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC000926720695 1327682214 /nfs/dbraw/zinc/68/22/14/1327682214.db2.gz CMROUJZUEGBHAF-KRWDZBQOSA-N 2 0 345.531 3.485 20 0 EGADRP C[N@H+](CCC1CC1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442674 1327683252 /nfs/dbraw/zinc/68/32/52/1327683252.db2.gz DUAUUSPBKRHOTL-VQTJNVASSA-N 2 0 347.547 3.116 20 0 EGADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001027451459 1327691858 /nfs/dbraw/zinc/69/18/58/1327691858.db2.gz AKTHYQQWGQUQBW-UXHICEINSA-N 2 0 345.531 3.004 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001027452502 1327693373 /nfs/dbraw/zinc/69/33/73/1327693373.db2.gz PQYWQUDIRQVMPB-MOPGFXCFSA-N 2 0 337.552 3.076 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2ncnn21 ZINC000926791637 1327719573 /nfs/dbraw/zinc/71/95/73/1327719573.db2.gz TURBGZKBDFRWQA-VQIMIIECSA-N 2 0 339.487 3.176 20 0 EGADRP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478607 1327732014 /nfs/dbraw/zinc/73/20/14/1327732014.db2.gz VZQKACPBHLIHOB-LJQANCHMSA-N 2 0 347.547 3.118 20 0 EGADRP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027520393 1327792735 /nfs/dbraw/zinc/79/27/35/1327792735.db2.gz MEHLXGHPIICCKX-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000927036432 1327826502 /nfs/dbraw/zinc/82/65/02/1327826502.db2.gz BZLDZOOURQPTIV-VQSBYGRUSA-N 2 0 339.487 3.325 20 0 EGADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC1 ZINC000927059040 1327833828 /nfs/dbraw/zinc/83/38/28/1327833828.db2.gz XKIWZWIIDGNODQ-FTWQHDNSSA-N 2 0 336.520 3.302 20 0 EGADRP CCOCCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000927085002 1327853142 /nfs/dbraw/zinc/85/31/42/1327853142.db2.gz FZJGSZHBTSBQHY-SEJPIABJSA-N 2 0 346.515 3.215 20 0 EGADRP Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562879 1327883235 /nfs/dbraw/zinc/88/32/35/1327883235.db2.gz XVVMBMJCOJUHDO-WOJBJXKFSA-N 2 0 345.531 3.004 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027563619 1327884084 /nfs/dbraw/zinc/88/40/84/1327884084.db2.gz LMYUWAUIAVNYOB-WOJBJXKFSA-N 2 0 349.563 3.386 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682852 1328081081 /nfs/dbraw/zinc/08/10/81/1328081081.db2.gz YESINBQORMBRCH-UXHICEINSA-N 2 0 343.515 3.156 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027694020 1328100759 /nfs/dbraw/zinc/10/07/59/1328100759.db2.gz PBAJKVYPZVDPOL-PMACEKPBSA-N 2 0 347.547 3.284 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929878 1328409032 /nfs/dbraw/zinc/40/90/32/1328409032.db2.gz KNQMZQHEVMVOKS-WOJBJXKFSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027986381 1328458349 /nfs/dbraw/zinc/45/83/49/1328458349.db2.gz VRDIZUPSORNIHN-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC001028028401 1328490850 /nfs/dbraw/zinc/49/08/50/1328490850.db2.gz HCMDMAKXGFEXAX-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001028029256 1328492052 /nfs/dbraw/zinc/49/20/52/1328492052.db2.gz TZJGSABATTZHDI-LJQANCHMSA-N 2 0 348.450 3.037 20 0 EGADRP COc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1C(C)(C)C ZINC000865410714 1329693188 /nfs/dbraw/zinc/69/31/88/1329693188.db2.gz FZIAOWMTNMQFEK-UHFFFAOYSA-N 2 0 347.547 3.108 20 0 EGADRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C(C)(C)C ZINC000865466403 1329701313 /nfs/dbraw/zinc/70/13/13/1329701313.db2.gz HEPICUCWKGXHNQ-IBGZPJMESA-N 2 0 345.531 3.379 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000932712076 1329837443 /nfs/dbraw/zinc/83/74/43/1329837443.db2.gz VIIOMPILYZLVFH-UHFFFAOYSA-N 2 0 335.492 3.117 20 0 EGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(SC(F)(F)F)c1 ZINC000866271094 1330088749 /nfs/dbraw/zinc/08/87/49/1330088749.db2.gz CTXJDNSAAMLYCV-GFCCVEGCSA-N 2 0 348.434 3.406 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000866336859 1330097969 /nfs/dbraw/zinc/09/79/69/1330097969.db2.gz NUNZIMFDWOHPLY-PZJWPPBQSA-N 2 0 339.483 3.135 20 0 EGADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000866336855 1330098050 /nfs/dbraw/zinc/09/80/50/1330098050.db2.gz NUNZIMFDWOHPLY-CTNGQTDRSA-N 2 0 339.483 3.135 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000866666466 1330139426 /nfs/dbraw/zinc/13/94/26/1330139426.db2.gz SAOQIDUZQJJPEN-RBUKOAKNSA-N 2 0 329.488 3.176 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941138700 1331349931 /nfs/dbraw/zinc/34/99/31/1331349931.db2.gz LNODXZQKYBNFBC-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942173954 1331861266 /nfs/dbraw/zinc/86/12/66/1331861266.db2.gz SPHZCOJYHBDTCY-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC000943757059 1332255483 /nfs/dbraw/zinc/25/54/83/1332255483.db2.gz ZYFSOTHFUXJFNH-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947473610 1333142535 /nfs/dbraw/zinc/14/25/35/1333142535.db2.gz NWIBKZXTAKEVFV-GOEBONIOSA-N 2 0 328.460 3.026 20 0 EGADRP C[C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC000947662720 1333213116 /nfs/dbraw/zinc/21/31/16/1333213116.db2.gz LOYSKBSGFZICAM-DOTOQJQBSA-N 2 0 349.519 3.360 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC1=CCCCC1 ZINC000947726783 1333241824 /nfs/dbraw/zinc/24/18/24/1333241824.db2.gz SDBRYNDSVMCEJF-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCC1CC1 ZINC000948056110 1333357525 /nfs/dbraw/zinc/35/75/25/1333357525.db2.gz HHHRRQWCSJNTGA-JXFKEZNVSA-N 2 0 343.515 3.131 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC[NH+](CCCCC)CC1 ZINC001197477524 1368823403 /nfs/dbraw/zinc/82/34/03/1368823403.db2.gz JMSIONDRWUNXEB-UHFFFAOYSA-N 2 0 325.541 3.223 20 0 EGADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@@H+]1C ZINC000948388204 1333504688 /nfs/dbraw/zinc/50/46/88/1333504688.db2.gz CGFLWQJOXDEEHH-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948553856 1333572799 /nfs/dbraw/zinc/57/27/99/1333572799.db2.gz NJSKKDBBLHQURG-UXHICEINSA-N 2 0 347.547 3.284 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000948634290 1333604777 /nfs/dbraw/zinc/60/47/77/1333604777.db2.gz VBNGLCGIWGIIGQ-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642831 1333609016 /nfs/dbraw/zinc/60/90/16/1333609016.db2.gz OJCUHVWBCAYAPQ-PMACEKPBSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833553 1333704237 /nfs/dbraw/zinc/70/42/37/1333704237.db2.gz XIABIYTXVIEROI-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CC2CCCCCC2)C1 ZINC000950063536 1334006130 /nfs/dbraw/zinc/00/61/30/1334006130.db2.gz LDBHOJDNXIUAPQ-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+](CC2CCCCC2)C1 ZINC000950890695 1334147154 /nfs/dbraw/zinc/14/71/54/1334147154.db2.gz SGUWEFHEEFKVID-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000951749673 1334311304 /nfs/dbraw/zinc/31/13/04/1334311304.db2.gz CMXCRTOLUAIGEB-FXAWDEMLSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327994 1335891000 /nfs/dbraw/zinc/89/10/00/1335891000.db2.gz VRGXALJNCYYMCT-YLJYHZDGSA-N 2 0 345.531 3.031 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C)CC1 ZINC000968459554 1335931612 /nfs/dbraw/zinc/93/16/12/1335931612.db2.gz MQTKQPKMOMVDKQ-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968646203 1335994716 /nfs/dbraw/zinc/99/47/16/1335994716.db2.gz BVLLIQJZEBMDMX-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1=CCCCC1 ZINC000968782016 1336048481 /nfs/dbraw/zinc/04/84/81/1336048481.db2.gz RBBJEWALUWGPSY-UXHICEINSA-N 2 0 347.547 3.332 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968782709 1336048948 /nfs/dbraw/zinc/04/89/48/1336048948.db2.gz YQQCCUHOQDTRRJ-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968851049 1336067302 /nfs/dbraw/zinc/06/73/02/1336067302.db2.gz MSDKWHLQTWNNLZ-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887804 1336080383 /nfs/dbraw/zinc/08/03/83/1336080383.db2.gz MYYJXWVKMVQBQY-MOPGFXCFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(C)C ZINC000968928056 1336091952 /nfs/dbraw/zinc/09/19/52/1336091952.db2.gz ASUQNIZHKONYOD-MOPGFXCFSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1c(C(=O)NC[C@@H]2CCCCC[N@H+]2CC(C)C)ccc2c[nH+]cn21 ZINC000968925985 1336092400 /nfs/dbraw/zinc/09/24/00/1336092400.db2.gz RFVKUNXDHFDQRS-KRWDZBQOSA-N 2 0 342.487 3.273 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000969108548 1336146856 /nfs/dbraw/zinc/14/68/56/1336146856.db2.gz FLUCTZNGZSEZEY-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969657243 1336233786 /nfs/dbraw/zinc/23/37/86/1336233786.db2.gz AQXWSPWTHLCGTQ-YLJYHZDGSA-N 2 0 349.563 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969794523 1336248174 /nfs/dbraw/zinc/24/81/74/1336248174.db2.gz WPDRRCHLIRKZBE-XLIONFOSSA-N 2 0 347.547 3.188 20 0 EGADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005665622 1336389208 /nfs/dbraw/zinc/38/92/08/1336389208.db2.gz XXBOVPJYVHNLHL-UHFFFAOYSA-N 2 0 340.471 3.061 20 0 EGADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001006130811 1336456860 /nfs/dbraw/zinc/45/68/60/1336456860.db2.gz GQTVFSUNOQXODH-NYYWCZLTSA-N 2 0 349.906 3.037 20 0 EGADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006296361 1336485739 /nfs/dbraw/zinc/48/57/39/1336485739.db2.gz YGVYFPBANYBDML-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001006441922 1336507067 /nfs/dbraw/zinc/50/70/67/1336507067.db2.gz GTHIJEHIQGFGEC-HOTGVXAUSA-N 2 0 349.544 3.044 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006445506 1336507395 /nfs/dbraw/zinc/50/73/95/1336507395.db2.gz IARIIYTYLAEBLQ-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006446046 1336507539 /nfs/dbraw/zinc/50/75/39/1336507539.db2.gz SHMJWCXRHAWKKI-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007946769 1336737279 /nfs/dbraw/zinc/73/72/79/1336737279.db2.gz DJAPEXYZKSBGKA-SFHVURJKSA-N 2 0 338.455 3.029 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001008161515 1336782556 /nfs/dbraw/zinc/78/25/56/1336782556.db2.gz HNMVSXKZRYFJPU-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001008312943 1336820964 /nfs/dbraw/zinc/82/09/64/1336820964.db2.gz LERQQXGISGIATB-YSIASYRMSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001008402352 1336843524 /nfs/dbraw/zinc/84/35/24/1336843524.db2.gz AYRRZSPCWOGCAM-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009147494 1336976646 /nfs/dbraw/zinc/97/66/46/1336976646.db2.gz WQYLFZSERPZFDT-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP O=C(N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001009227883 1336988905 /nfs/dbraw/zinc/98/89/05/1336988905.db2.gz WNSSNOBWFRLSOC-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001014422872 1337773732 /nfs/dbraw/zinc/77/37/32/1337773732.db2.gz JSRXXSHPKZZFFF-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434472 1337776974 /nfs/dbraw/zinc/77/69/74/1337776974.db2.gz MJRMGJFTPKLFMK-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014631970 1337853733 /nfs/dbraw/zinc/85/37/33/1337853733.db2.gz PTLKFYWKLGMCQR-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015056694 1338004547 /nfs/dbraw/zinc/00/45/47/1338004547.db2.gz IEVHGZHJHQENNO-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001015499180 1338160362 /nfs/dbraw/zinc/16/03/62/1338160362.db2.gz OOZXJBQVVCYEOW-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001015791333 1338312593 /nfs/dbraw/zinc/31/25/93/1338312593.db2.gz CSICSTINUJFRRR-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015974768 1338387166 /nfs/dbraw/zinc/38/71/66/1338387166.db2.gz HVTBZXQNSTVGHX-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016652017 1338679212 /nfs/dbraw/zinc/67/92/12/1338679212.db2.gz NIHGZEKRHJWQNC-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016661200 1338682262 /nfs/dbraw/zinc/68/22/62/1338682262.db2.gz DHHFQWZTMRSAAA-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016661196 1338682638 /nfs/dbraw/zinc/68/26/38/1338682638.db2.gz DHHFQWZTMRSAAA-OALUTQOASA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862395 1338751348 /nfs/dbraw/zinc/75/13/48/1338751348.db2.gz XVBLUNMSJYCVNQ-ZWKOTPCHSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC)CC2 ZINC001016924419 1338771594 /nfs/dbraw/zinc/77/15/94/1338771594.db2.gz WVQFBEUWEZIZSD-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001017140999 1338893643 /nfs/dbraw/zinc/89/36/43/1338893643.db2.gz BDEYDWSZPMGORD-ICSRJNTNSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001017225410 1338966054 /nfs/dbraw/zinc/96/60/54/1338966054.db2.gz YMLVGDIBULCBAC-QUCCMNQESA-N 2 0 349.563 3.221 20 0 EGADRP CC1CCC(C[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001017261137 1338988884 /nfs/dbraw/zinc/98/88/84/1338988884.db2.gz RXJQPSCKJCKZAQ-MHJFOBGBSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1)[NH+]1CCCCC1 ZINC001017265915 1338991353 /nfs/dbraw/zinc/99/13/53/1338991353.db2.gz GTYJIMCWBWLQBL-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017839958 1339429024 /nfs/dbraw/zinc/42/90/24/1339429024.db2.gz VRYNRMORSNEECX-HSALFYBXSA-N 2 0 347.547 3.259 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](CCCc1cccc(Br)c1)CC2 ZINC001208824579 1371907399 /nfs/dbraw/zinc/90/73/99/1371907399.db2.gz KATFYCQLPJMPKV-UHFFFAOYSA-N 2 0 337.305 3.409 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093645 1340421540 /nfs/dbraw/zinc/42/15/40/1340421540.db2.gz MWFWXGDYNOOHGT-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137310 1340450129 /nfs/dbraw/zinc/45/01/29/1340450129.db2.gz ISADMYKYJYWUJJ-XLIONFOSSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001028234858 1340497679 /nfs/dbraw/zinc/49/76/79/1340497679.db2.gz JGAOLSFANLUYNM-HXUWFJFHSA-N 2 0 349.563 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC=C(C)C ZINC001028251654 1340513463 /nfs/dbraw/zinc/51/34/63/1340513463.db2.gz IUXOFOICUTZGQP-RTBURBONSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001028334939 1340572006 /nfs/dbraw/zinc/57/20/06/1340572006.db2.gz LCMBLTIQBKBSCY-RTBURBONSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028538030 1340693636 /nfs/dbraw/zinc/69/36/36/1340693636.db2.gz XXUFJYSFKQFHGI-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028538060 1340694001 /nfs/dbraw/zinc/69/40/01/1340694001.db2.gz ZAYJJPXGRREECS-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028845142 1340855579 /nfs/dbraw/zinc/85/55/79/1340855579.db2.gz GXSZNTGRPBUODX-UXHICEINSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001029107613 1340931690 /nfs/dbraw/zinc/93/16/90/1340931690.db2.gz PSOBTFYHALWYPC-OXQOHEQNSA-N 2 0 347.547 3.044 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001029108177 1340931714 /nfs/dbraw/zinc/93/17/14/1340931714.db2.gz XTGWMKZWKPAVEK-OXJNMPFZSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001029146008 1340942768 /nfs/dbraw/zinc/94/27/68/1340942768.db2.gz GQJULGOQATUDOM-ROUUACIJSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2=CCCCC2)CCC1 ZINC001029337968 1340973881 /nfs/dbraw/zinc/97/38/81/1340973881.db2.gz XUGAOLDCEIVDSY-KDURUIRLSA-N 2 0 345.531 3.036 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001029347982 1340975072 /nfs/dbraw/zinc/97/50/72/1340975072.db2.gz NQKPQSODUUNAHG-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029750414 1341063484 /nfs/dbraw/zinc/06/34/84/1341063484.db2.gz GXBBHCSJHOXTLW-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCC3)C2)C1 ZINC001029816675 1341084978 /nfs/dbraw/zinc/08/49/78/1341084978.db2.gz LWTNZUFHZKZILT-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@H+](C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)CC1CCCCC1 ZINC001029910751 1341113858 /nfs/dbraw/zinc/11/38/58/1341113858.db2.gz ZBAGPYPJGTZALS-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1)C1CC1 ZINC001029969924 1341139118 /nfs/dbraw/zinc/13/91/18/1341139118.db2.gz DANJGXUZHIMECR-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001030019508 1341159748 /nfs/dbraw/zinc/15/97/48/1341159748.db2.gz GDMIEPCARLVNMZ-CMKODMSKSA-N 2 0 345.531 3.285 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)c1ccccc1 ZINC001030021664 1341160029 /nfs/dbraw/zinc/16/00/29/1341160029.db2.gz VPGNLSGURWGKED-OTWHNJEPSA-N 2 0 331.504 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031235264 1341301293 /nfs/dbraw/zinc/30/12/93/1341301293.db2.gz PWYQVWKSZDRGBN-QLOJAFMTSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031660277 1341384092 /nfs/dbraw/zinc/38/40/92/1341384092.db2.gz GRKZRRLPSRUDPL-UXHICEINSA-N 2 0 343.515 3.059 20 0 EGADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001031767782 1341399125 /nfs/dbraw/zinc/39/91/25/1341399125.db2.gz YESLEGXKHDMFHV-PMACEKPBSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001032026224 1341441639 /nfs/dbraw/zinc/44/16/39/1341441639.db2.gz BAFPJDUTZFDGSR-HXUWFJFHSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001032027737 1341442170 /nfs/dbraw/zinc/44/21/70/1341442170.db2.gz YMEUUMOFDIUOSS-PXNSSMCTSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1)[NH+]1CCCC1 ZINC001032557943 1341539662 /nfs/dbraw/zinc/53/96/62/1341539662.db2.gz XWEZNPMIQFGOPN-OALUTQOASA-N 2 0 347.547 3.116 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)cc1 ZINC001032684365 1341581712 /nfs/dbraw/zinc/58/17/12/1341581712.db2.gz NKSDVFQJDMOEAA-OALUTQOASA-N 2 0 343.515 3.083 20 0 EGADRP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838370 1341630966 /nfs/dbraw/zinc/63/09/66/1341630966.db2.gz NSDYOKFUPZQBKJ-KZNAEPCWSA-N 2 0 349.906 3.076 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033074440 1341716055 /nfs/dbraw/zinc/71/60/55/1341716055.db2.gz AEQJWROHGYLKRQ-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001033099947 1341722001 /nfs/dbraw/zinc/72/20/01/1341722001.db2.gz TWPRXNNVQCWBIB-HSALFYBXSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033355270 1341794985 /nfs/dbraw/zinc/79/49/85/1341794985.db2.gz WTPZSVONPWUPTL-ZWKOTPCHSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001033466003 1341836922 /nfs/dbraw/zinc/83/69/22/1341836922.db2.gz BLLWDTXKHBDKKN-MJGOQNOKSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033472601 1341839861 /nfs/dbraw/zinc/83/98/61/1341839861.db2.gz YXPRSOFBMQETAN-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001033530836 1341860373 /nfs/dbraw/zinc/86/03/73/1341860373.db2.gz HEQAGVWGBPTCFP-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033686649 1341952733 /nfs/dbraw/zinc/95/27/33/1341952733.db2.gz RLYPZLQAMRTORH-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC3CCC3)C2)o1 ZINC001033699071 1341966135 /nfs/dbraw/zinc/96/61/35/1341966135.db2.gz JWYAFYGYESAHMY-QGZVFWFLSA-N 2 0 347.503 3.068 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033826501 1342027559 /nfs/dbraw/zinc/02/75/59/1342027559.db2.gz QKKLNUADLJVHOU-MSOLQXFVSA-N 2 0 337.552 3.218 20 0 EGADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033829282 1342030208 /nfs/dbraw/zinc/03/02/08/1342030208.db2.gz VYFGNJKLXICJCG-VQTJNVASSA-N 2 0 347.547 3.282 20 0 EGADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033833534 1342034013 /nfs/dbraw/zinc/03/40/13/1342034013.db2.gz IOLPTHAZMUWMDL-YZGWKJHDSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034205434 1342316255 /nfs/dbraw/zinc/31/62/55/1342316255.db2.gz WPRKDACWOWGAGC-PMACEKPBSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034238480 1342339589 /nfs/dbraw/zinc/33/95/89/1342339589.db2.gz CQMKEOMYQIFZID-UXHICEINSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034239203 1342340003 /nfs/dbraw/zinc/34/00/03/1342340003.db2.gz JBAWOOALEWJISB-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034239211 1342340636 /nfs/dbraw/zinc/34/06/36/1342340636.db2.gz JCEVWTOLKJQOEW-RBUKOAKNSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034240914 1342340881 /nfs/dbraw/zinc/34/08/81/1342340881.db2.gz ULWXZBFVHRWGKV-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034248431 1342346119 /nfs/dbraw/zinc/34/61/19/1342346119.db2.gz CAACQJCWVOKECY-QUCCMNQESA-N 2 0 347.547 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251450 1342347814 /nfs/dbraw/zinc/34/78/14/1342347814.db2.gz ZHBYHPULFCDAND-PKOBYXMFSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001034340004 1342413876 /nfs/dbraw/zinc/41/38/76/1342413876.db2.gz KUFNVVVFYRMSFT-LJQANCHMSA-N 2 0 349.563 3.412 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001034366664 1342436410 /nfs/dbraw/zinc/43/64/10/1342436410.db2.gz CHFMSJLRYIXYPF-AZUAARDMSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034396398 1342465140 /nfs/dbraw/zinc/46/51/40/1342465140.db2.gz FIWNGPHEPCIVOW-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034406138 1342469893 /nfs/dbraw/zinc/46/98/93/1342469893.db2.gz WKYGVFHAFSWNQC-FQEVSTJZSA-N 2 0 345.531 3.031 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001034437663 1342500646 /nfs/dbraw/zinc/50/06/46/1342500646.db2.gz IBACOWOHCGJHCI-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](F)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444516 1342503966 /nfs/dbraw/zinc/50/39/66/1342503966.db2.gz HSNSQQNSKJLMGS-QFBILLFUSA-N 2 0 349.494 3.081 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034490031 1342547021 /nfs/dbraw/zinc/54/70/21/1342547021.db2.gz IDCCJYROCYPKDJ-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536428 1342592401 /nfs/dbraw/zinc/59/24/01/1342592401.db2.gz FZVLIGAINBIYSS-FXAWDEMLSA-N 2 0 345.531 3.379 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034663078 1342677298 /nfs/dbraw/zinc/67/72/98/1342677298.db2.gz SJVXOQZJTPECLU-WFAGLZIHSA-N 2 0 349.563 3.027 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034671997 1342682827 /nfs/dbraw/zinc/68/28/27/1342682827.db2.gz GIQUPPCVPZWHFP-GUDVDZBRSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001034675093 1342686223 /nfs/dbraw/zinc/68/62/23/1342686223.db2.gz NWYGWMXAQIBUKB-LWYYNNOASA-N 2 0 347.547 3.211 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034716361 1342711431 /nfs/dbraw/zinc/71/14/31/1342711431.db2.gz YSOHPAGAABYVPT-QWFCFKBJSA-N 2 0 347.547 3.211 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)C1 ZINC001034734337 1342728276 /nfs/dbraw/zinc/72/82/76/1342728276.db2.gz ONVRZHGBDSTYRQ-IHPCNDPISA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736666 1342729175 /nfs/dbraw/zinc/72/91/75/1342729175.db2.gz ZVBVWJGLBPHNQE-MISYRCLQSA-N 2 0 347.547 3.378 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)CC1 ZINC001034735890 1342729207 /nfs/dbraw/zinc/72/92/07/1342729207.db2.gz PJJHDRFAFHQRIH-DRRJLQACSA-N 2 0 349.563 3.314 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)cs1 ZINC001034736266 1342729403 /nfs/dbraw/zinc/72/94/03/1342729403.db2.gz VASQPGMJTPISKK-ZTFGCOKTSA-N 2 0 349.544 3.058 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1ccccc1 ZINC001034738883 1342730067 /nfs/dbraw/zinc/73/00/67/1342730067.db2.gz XGHNJQLKMIJKKE-PIKOESSRSA-N 2 0 343.515 3.249 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1)[NH+]1CCCCCC1 ZINC001034748884 1342736898 /nfs/dbraw/zinc/73/68/98/1342736898.db2.gz FREYXBJPZMWSBO-DRRJLQACSA-N 2 0 349.563 3.314 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034796588 1342763019 /nfs/dbraw/zinc/76/30/19/1342763019.db2.gz JXLQBJYPEXENTB-KPOQHDDYSA-N 2 0 349.544 3.138 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034796557 1342763504 /nfs/dbraw/zinc/76/35/04/1342763504.db2.gz ITIUFGNKSXSOSJ-ZULIPRJHSA-N 2 0 349.563 3.457 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]C(C)C)cc1 ZINC001034828156 1342788358 /nfs/dbraw/zinc/78/83/58/1342788358.db2.gz MEHJPKGBMMQZCJ-HXUWFJFHSA-N 2 0 345.531 3.455 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F)[NH+](C)C ZINC001034966405 1342855579 /nfs/dbraw/zinc/85/55/79/1342855579.db2.gz QITDDPTXFJYCDF-MDZRGWNJSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001034974884 1342861246 /nfs/dbraw/zinc/86/12/46/1342861246.db2.gz KTBKLVFYPGWBBM-UYAOXDASSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001035048866 1342898535 /nfs/dbraw/zinc/89/85/35/1342898535.db2.gz ZWROUGKHLGWTBM-PKOBYXMFSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001035067126 1342908315 /nfs/dbraw/zinc/90/83/15/1342908315.db2.gz OKWCJMDZLNTPCN-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035071608 1342912018 /nfs/dbraw/zinc/91/20/18/1342912018.db2.gz ZMBWQNQGDVFQPN-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001035198215 1343011575 /nfs/dbraw/zinc/01/15/75/1343011575.db2.gz FZBYBKMIXDEIOY-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227616 1343049202 /nfs/dbraw/zinc/04/92/02/1343049202.db2.gz SLDFAPFKSAIXCA-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC3=CCCCC3)C2)CC1)[NH+](C)C ZINC001035229578 1343050869 /nfs/dbraw/zinc/05/08/69/1343050869.db2.gz RWWFRIFFLMPUFP-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C[NH+]([C@@H](C)c3ccccc3)C2)CC1)[NH+](C)C ZINC001035797534 1343203647 /nfs/dbraw/zinc/20/36/47/1343203647.db2.gz FKQXWMPDXRBZSH-HKUYNNGSSA-N 2 0 343.515 3.012 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)[C@@H](C)C2)CC1 ZINC001036232619 1343371619 /nfs/dbraw/zinc/37/16/19/1343371619.db2.gz UZHXFASDPLQIRQ-AZUAARDMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001036406003 1343467645 /nfs/dbraw/zinc/46/76/45/1343467645.db2.gz NZJGJLQQDQMRDP-HOCLYGCPSA-N 2 0 349.544 3.050 20 0 EGADRP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001036408007 1343468957 /nfs/dbraw/zinc/46/89/57/1343468957.db2.gz CYVOKBXSXSTSRA-HKUYNNGSSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001036441631 1343489775 /nfs/dbraw/zinc/48/97/75/1343489775.db2.gz YMLSEAIKZYJQEH-XLIONFOSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001036448257 1343493590 /nfs/dbraw/zinc/49/35/90/1343493590.db2.gz BCBXOCCOCUNWIV-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036574313 1343560788 /nfs/dbraw/zinc/56/07/88/1343560788.db2.gz JQFICMURXIINIV-XLIONFOSSA-N 2 0 347.547 3.045 20 0 EGADRP C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036581583 1343564476 /nfs/dbraw/zinc/56/44/76/1343564476.db2.gz ULKFECVTDGSDDP-FXAWDEMLSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820383 1343759174 /nfs/dbraw/zinc/75/91/74/1343759174.db2.gz IBWCGKWIZDSGNC-MSOLQXFVSA-N 2 0 349.563 3.077 20 0 EGADRP O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001037044399 1343946400 /nfs/dbraw/zinc/94/64/00/1343946400.db2.gz DJEDURUBPSJGLM-FXAWDEMLSA-N 2 0 348.450 3.023 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC1 ZINC001037072353 1343966389 /nfs/dbraw/zinc/96/63/89/1343966389.db2.gz VIMITKFCRHQDCU-VQTJNVASSA-N 2 0 349.563 3.173 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CC2)o1 ZINC001037135770 1343984969 /nfs/dbraw/zinc/98/49/69/1343984969.db2.gz SEZFZTDTBNXPOJ-AEFFLSMTSA-N 2 0 347.503 3.020 20 0 EGADRP CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001037852870 1344139634 /nfs/dbraw/zinc/13/96/34/1344139634.db2.gz SRDRKGZGGHTTLJ-GDBMZVCRSA-N 2 0 337.533 3.050 20 0 EGADRP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037854916 1344141019 /nfs/dbraw/zinc/14/10/19/1344141019.db2.gz RXNHQMPJBJGGAF-MSOLQXFVSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038777855 1344581054 /nfs/dbraw/zinc/58/10/54/1344581054.db2.gz CTDQFCXZEFIOAH-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038777802 1344581267 /nfs/dbraw/zinc/58/12/67/1344581267.db2.gz CFMGRYQZJBATGM-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038782913 1344581986 /nfs/dbraw/zinc/58/19/86/1344581986.db2.gz VOLUPZGBRIRNLG-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001038783369 1344582860 /nfs/dbraw/zinc/58/28/60/1344582860.db2.gz WVVQSQOJKWXILI-MOPGFXCFSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038908381 1344646378 /nfs/dbraw/zinc/64/63/78/1344646378.db2.gz JGGYUWWHASZJAD-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140096 1344820610 /nfs/dbraw/zinc/82/06/10/1344820610.db2.gz QLTGOTYIGVCTED-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@H]3CC[NH+](C(C)C)C3)CC2)C1 ZINC001039152357 1344835866 /nfs/dbraw/zinc/83/58/66/1344835866.db2.gz XPOXQZYWGQUEAM-PMACEKPBSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039167960 1344855754 /nfs/dbraw/zinc/85/57/54/1344855754.db2.gz IAQMUFWWMLHQAZ-FQEVSTJZSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228898 1344948367 /nfs/dbraw/zinc/94/83/67/1344948367.db2.gz KZLMOYGUZWLRKX-LPHOPBHVSA-N 2 0 340.471 3.061 20 0 EGADRP CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228900 1344948709 /nfs/dbraw/zinc/94/87/09/1344948709.db2.gz KZLMOYGUZWLRKX-QFBILLFUSA-N 2 0 340.471 3.061 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243109 1344970621 /nfs/dbraw/zinc/97/06/21/1344970621.db2.gz SNCZIUIZUGLOTA-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039309364 1345007238 /nfs/dbraw/zinc/00/72/38/1345007238.db2.gz JRGXQYLLILXNDT-IHWFROFDSA-N 2 0 343.515 3.274 20 0 EGADRP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039313764 1345009697 /nfs/dbraw/zinc/00/96/97/1345009697.db2.gz OOTNYKVTXSLEBN-YQQQUEKLSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375335 1345033240 /nfs/dbraw/zinc/03/32/40/1345033240.db2.gz YPQQHEHCSNZGOG-SXLOBPIMSA-N 2 0 347.547 3.115 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386993 1345039556 /nfs/dbraw/zinc/03/95/56/1345039556.db2.gz NNIFBWBMPDKFDE-QRVBRYPASA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447789 1345072448 /nfs/dbraw/zinc/07/24/48/1345072448.db2.gz KAQLXYAFTPUQLL-ZCNNSNEGSA-N 2 0 347.547 3.282 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474536 1345089214 /nfs/dbraw/zinc/08/92/14/1345089214.db2.gz MXKBDTDPDIVGHJ-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001039913810 1345245096 /nfs/dbraw/zinc/24/50/96/1345245096.db2.gz DWPVKRRVQICWMN-YSIASYRMSA-N 2 0 345.531 3.036 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001040014905 1345288308 /nfs/dbraw/zinc/28/83/08/1345288308.db2.gz UAVHZXJJZPLCIV-TZRIAGMCSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199966 1345372426 /nfs/dbraw/zinc/37/24/26/1345372426.db2.gz DHLHVZAQAVWHPP-PZJWPPBQSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)CC[N@@H+]1C ZINC001040209402 1345375861 /nfs/dbraw/zinc/37/58/61/1345375861.db2.gz JHBFIPFFTGHYSJ-OPYAIIAOSA-N 2 0 349.563 3.077 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040232994 1345387716 /nfs/dbraw/zinc/38/77/16/1345387716.db2.gz UZXZVYKPDYCYSQ-PZJWPPBQSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040699553 1345567083 /nfs/dbraw/zinc/56/70/83/1345567083.db2.gz AZYGBZFJNMVUGJ-IBGZPJMESA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)CCC1 ZINC001040726011 1345571440 /nfs/dbraw/zinc/57/14/40/1345571440.db2.gz ILAIPCXTWBNXIB-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001040847909 1345587736 /nfs/dbraw/zinc/58/77/36/1345587736.db2.gz CCSBIBWMANJAHT-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041335746 1345705649 /nfs/dbraw/zinc/70/56/49/1345705649.db2.gz CTHSOFDMFKHMNH-LJQANCHMSA-N 2 0 349.544 3.148 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCC(C)C)C3)C2)C1 ZINC001041587763 1345783682 /nfs/dbraw/zinc/78/36/82/1345783682.db2.gz RULQTQPMEGYFEA-TZIWHRDSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001041644804 1345808884 /nfs/dbraw/zinc/80/88/84/1345808884.db2.gz GZTUKALBZIRVMC-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725503 1345832504 /nfs/dbraw/zinc/83/25/04/1345832504.db2.gz NSYGXGLPBSIEQH-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001042920245 1346125111 /nfs/dbraw/zinc/12/51/11/1346125111.db2.gz XJUZDISOGNZNJU-LJQANCHMSA-N 2 0 349.563 3.362 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C2C[NH+](CCC3CCCCCC3)C2)CC1 ZINC001044082919 1346243714 /nfs/dbraw/zinc/24/37/14/1346243714.db2.gz PSWPQOJLIXUCQB-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC[NH+](CC(=O)N(C)C2C[NH+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001044083159 1346244614 /nfs/dbraw/zinc/24/46/14/1346244614.db2.gz TWAIUXQYOHMHTN-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)C2C[NH+](CCC3CCCCC3)C2)CC1 ZINC001044128671 1346255858 /nfs/dbraw/zinc/25/58/58/1346255858.db2.gz ZORTWIJFJDFGJQ-UHFFFAOYSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044765220 1346423844 /nfs/dbraw/zinc/42/38/44/1346423844.db2.gz HHOVDGXELKGPLB-PXNSSMCTSA-N 2 0 347.547 3.188 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)C[C@H]2C)CC1 ZINC001044790872 1346428576 /nfs/dbraw/zinc/42/85/76/1346428576.db2.gz DHJSTSAAPTXSJZ-MJGOQNOKSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825953 1346436120 /nfs/dbraw/zinc/43/61/20/1346436120.db2.gz XOYQWPVALCRFFR-PKOBYXMFSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001044881681 1346453628 /nfs/dbraw/zinc/45/36/28/1346453628.db2.gz WLMYFRDFHNDBHX-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001045229054 1346536350 /nfs/dbraw/zinc/53/63/50/1346536350.db2.gz HHUROKVCQMTDHF-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001045262045 1346542726 /nfs/dbraw/zinc/54/27/26/1346542726.db2.gz HLDVJNPEIDBCRC-FQEVSTJZSA-N 2 0 347.547 3.188 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NC2(C)CC[NH+](CC3CCC3)CC2)c1 ZINC001045646122 1346657847 /nfs/dbraw/zinc/65/78/47/1346657847.db2.gz DMZSTCLEAROGEK-UHFFFAOYSA-N 2 0 343.515 3.133 20 0 EGADRP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001045797273 1346701004 /nfs/dbraw/zinc/70/10/04/1346701004.db2.gz YIYDSGMOAOPZSA-AABGKKOBSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001045802753 1346702386 /nfs/dbraw/zinc/70/23/86/1346702386.db2.gz PTHUSYIWHCSNLK-HSALFYBXSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001045842168 1346717185 /nfs/dbraw/zinc/71/71/85/1346717185.db2.gz YIYDSGMOAOPZSA-HSALFYBXSA-N 2 0 347.547 3.138 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001045849327 1346720219 /nfs/dbraw/zinc/72/02/19/1346720219.db2.gz GKIGDKXXEMHMCY-AABGKKOBSA-N 2 0 349.563 3.362 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949316 1346784417 /nfs/dbraw/zinc/78/44/17/1346784417.db2.gz DHELIBLZKSZPTD-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970041 1346805431 /nfs/dbraw/zinc/80/54/31/1346805431.db2.gz AGGKNXUQJAFRCC-OAQYLSRUSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001045975279 1346811634 /nfs/dbraw/zinc/81/16/34/1346811634.db2.gz YPYTVFLCEWKFTM-OAQYLSRUSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@]1(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](CC2CCC2)C1 ZINC001046317010 1346931892 /nfs/dbraw/zinc/93/18/92/1346931892.db2.gz DGLCBAIBXTVIRW-RXVVDRJESA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001046330692 1346936587 /nfs/dbraw/zinc/93/65/87/1346936587.db2.gz QCPJORPDGUXBSR-QKNQBKEWSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1c(C(=O)N[C@]2(C)CC[N@H+](CC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001046436429 1346975400 /nfs/dbraw/zinc/97/54/00/1346975400.db2.gz PWJPCUCLEISMNU-HXUWFJFHSA-N 2 0 340.471 3.027 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046561995 1347018281 /nfs/dbraw/zinc/01/82/81/1347018281.db2.gz LCENLLJFMKBVDT-PZJWPPBQSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001046569885 1347021927 /nfs/dbraw/zinc/02/19/27/1347021927.db2.gz PPTMUNKBFPTHSQ-CUWPLCDZSA-N 2 0 347.547 3.188 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047242358 1347268024 /nfs/dbraw/zinc/26/80/24/1347268024.db2.gz CNAQACBHXAOWDN-WOJBJXKFSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047242937 1347268904 /nfs/dbraw/zinc/26/89/04/1347268904.db2.gz HNKIOMZZVHLCPV-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698159 1357350655 /nfs/dbraw/zinc/35/06/55/1357350655.db2.gz MKTQCHOCKMOUQW-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048530760 1347580077 /nfs/dbraw/zinc/58/00/77/1347580077.db2.gz AZCMERQOFLNJAY-YRPNKDGESA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001048529967 1347580193 /nfs/dbraw/zinc/58/01/93/1347580193.db2.gz AEZLYQAQJWDKRG-OBKDMQGPSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538214 1347583484 /nfs/dbraw/zinc/58/34/84/1347583484.db2.gz MONXXPZNJKYQNS-OBKDMQGPSA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC1 ZINC001049520626 1347889077 /nfs/dbraw/zinc/88/90/77/1347889077.db2.gz CXDHTPPLMYKUCX-VAMGGRTRSA-N 2 0 347.547 3.115 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563809 1347911518 /nfs/dbraw/zinc/91/15/18/1347911518.db2.gz DTSXFRXOIZWMHO-ZCNNSNEGSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637591 1347947611 /nfs/dbraw/zinc/94/76/11/1347947611.db2.gz HRNYOLNIFNBGOO-MSOLQXFVSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820649 1348037165 /nfs/dbraw/zinc/03/71/65/1348037165.db2.gz LPTJMHHISLIPEY-SXLOBPIMSA-N 2 0 349.563 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079805333 1357388415 /nfs/dbraw/zinc/38/84/15/1357388415.db2.gz NIUCAIIVQYSFEM-RLLQIKCJSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049908351 1348105873 /nfs/dbraw/zinc/10/58/73/1348105873.db2.gz HVHMXJKYRHLOGI-VQTJNVASSA-N 2 0 343.515 3.083 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915603 1348109811 /nfs/dbraw/zinc/10/98/11/1348109811.db2.gz XFSVBAVLIAATLH-XUVXKRRUSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919384 1348112426 /nfs/dbraw/zinc/11/24/26/1348112426.db2.gz OSNPHRQPCMTGGF-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001050046438 1348164901 /nfs/dbraw/zinc/16/49/01/1348164901.db2.gz DNVJKHPEYQDLAP-IPMKNSEASA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)[NH+](C)C ZINC001050144983 1348195506 /nfs/dbraw/zinc/19/55/06/1348195506.db2.gz XJGYJTKXPGQZTH-SLFFLAALSA-N 2 0 347.547 3.140 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001050324876 1348228330 /nfs/dbraw/zinc/22/83/30/1348228330.db2.gz FBXZJADXPGIISL-GUDVDZBRSA-N 2 0 349.563 3.314 20 0 EGADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001050332178 1348229684 /nfs/dbraw/zinc/22/96/84/1348229684.db2.gz GRJSBYDBZLCTNI-QWFCFKBJSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001050356872 1348236757 /nfs/dbraw/zinc/23/67/57/1348236757.db2.gz GAOQZUYLOMMAPK-QWFCFKBJSA-N 2 0 349.563 3.457 20 0 EGADRP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050687077 1348327455 /nfs/dbraw/zinc/32/74/55/1348327455.db2.gz GAFDIGMHGFQDEG-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)(C)CC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001050765833 1348352525 /nfs/dbraw/zinc/35/25/25/1348352525.db2.gz YCRXNLHCHGTLRU-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052369827 1348534316 /nfs/dbraw/zinc/53/43/16/1348534316.db2.gz VVAONPCMOJBIPT-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052377073 1348535066 /nfs/dbraw/zinc/53/50/66/1348535066.db2.gz MQRCPXFTQKWCJS-SFHVURJKSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052378223 1348535670 /nfs/dbraw/zinc/53/56/70/1348535670.db2.gz UPMOZKYRIQEMTN-UXHICEINSA-N 2 0 343.515 3.030 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378987 1348536283 /nfs/dbraw/zinc/53/62/83/1348536283.db2.gz ZKCYCSXUQYEHRQ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381385 1348536740 /nfs/dbraw/zinc/53/67/40/1348536740.db2.gz PRYDSNMRCXUQGJ-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001052395611 1348539757 /nfs/dbraw/zinc/53/97/57/1348539757.db2.gz WBBLWCLCYLHSDJ-OKZBNKHCSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001052394914 1348539824 /nfs/dbraw/zinc/53/98/24/1348539824.db2.gz HMYLMRJPRYVDDO-SLFFLAALSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052499310 1348560411 /nfs/dbraw/zinc/56/04/11/1348560411.db2.gz SWRCNBCWGONICG-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1)[NH+]1CCCC1 ZINC001052621253 1348598535 /nfs/dbraw/zinc/59/85/35/1348598535.db2.gz ZFTUCQHMRDOUAX-SFHVURJKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052715583 1348645815 /nfs/dbraw/zinc/64/58/15/1348645815.db2.gz GASDQNNDUBNVDO-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052717076 1348646235 /nfs/dbraw/zinc/64/62/35/1348646235.db2.gz SJJFZARBRPQWTB-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764388 1348669748 /nfs/dbraw/zinc/66/97/48/1348669748.db2.gz NTYLAOFRHHOANK-RBUKOAKNSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764988 1348669869 /nfs/dbraw/zinc/66/98/69/1348669869.db2.gz UTLMMOPGDSCIOA-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937577 1348756838 /nfs/dbraw/zinc/75/68/38/1348756838.db2.gz MAXPFYVRBYCUHV-UYAOXDASSA-N 2 0 343.515 3.123 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052956805 1348770970 /nfs/dbraw/zinc/77/09/70/1348770970.db2.gz ZDKOJZKWNLQDAD-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087198 1348910588 /nfs/dbraw/zinc/91/05/88/1348910588.db2.gz IWIDLJOBNUAALO-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053097129 1348928603 /nfs/dbraw/zinc/92/86/03/1348928603.db2.gz CMVSZCDBEZSJMN-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054140633 1349152620 /nfs/dbraw/zinc/15/26/20/1349152620.db2.gz RHOLMJSTFXQLOR-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209491 1349210792 /nfs/dbraw/zinc/21/07/92/1349210792.db2.gz REMXKGQSMJHSEW-PZJWPPBQSA-N 2 0 349.563 3.221 20 0 EGADRP COc1cc(Br)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC001233215392 1376588516 /nfs/dbraw/zinc/58/85/16/1376588516.db2.gz NMVXJDJSERTVGG-UHFFFAOYSA-N 2 0 341.293 3.231 20 0 EGADRP Cc1c(Br)ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1C ZINC001233220109 1376589964 /nfs/dbraw/zinc/58/99/64/1376589964.db2.gz KCAHUMCUZSKHOC-CVEARBPZSA-N 2 0 337.305 3.449 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2C)C1 ZINC001080310788 1357568754 /nfs/dbraw/zinc/56/87/54/1357568754.db2.gz FAUSNAYLPBOCOH-YZGWKJHDSA-N 2 0 349.563 3.125 20 0 EGADRP CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984439 1358937170 /nfs/dbraw/zinc/93/71/70/1358937170.db2.gz DCOBIQJPUHJEQQ-FQEVSTJZSA-N 2 0 343.515 3.085 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCCC1CCCC1 ZINC001088816998 1360062995 /nfs/dbraw/zinc/06/29/95/1360062995.db2.gz XOWIAHZCNYBUMD-HNJRGHQBSA-N 2 0 349.563 3.266 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651026 1354826667 /nfs/dbraw/zinc/82/66/67/1354826667.db2.gz FUEOCDHIGVGSOY-YJBOKZPZSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC001071739323 1354888630 /nfs/dbraw/zinc/88/86/30/1354888630.db2.gz QVNIWEQKLTUWLC-DLBZAZTESA-N 2 0 337.552 3.266 20 0 EGADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001071919814 1355024423 /nfs/dbraw/zinc/02/44/23/1355024423.db2.gz IGADZJKBZJQZQW-PKOBYXMFSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CCCC1CCCC1 ZINC001071996256 1355065159 /nfs/dbraw/zinc/06/51/59/1355065159.db2.gz PQDVTAZJCKIXRP-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CCC1CCCCC1 ZINC001072081868 1355119251 /nfs/dbraw/zinc/11/92/51/1355119251.db2.gz UDOVMHJPHLWFLD-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001183200405 1387277696 /nfs/dbraw/zinc/27/76/96/1387277696.db2.gz PLFPJKSCLYRIRJ-UYAOXDASSA-N 2 0 339.568 3.229 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCC2)CC[N@@H+]1C ZINC001074056008 1356058910 /nfs/dbraw/zinc/05/89/10/1356058910.db2.gz USPVBKAWWKDRIS-YSIASYRMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1)[NH+](C)C ZINC001074064682 1356062380 /nfs/dbraw/zinc/06/23/80/1356062380.db2.gz IFDIDAOOKUWSFA-UXHICEINSA-N 2 0 345.531 3.148 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)[C@@H]1C)[NH+](C)C ZINC001074709409 1356227048 /nfs/dbraw/zinc/22/70/48/1356227048.db2.gz AZDKMKSZYDCKCN-DSLXNQLJSA-N 2 0 331.504 3.057 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001074811799 1356250571 /nfs/dbraw/zinc/25/05/71/1356250571.db2.gz GKQDSVKESBFONY-ZULIPRJHSA-N 2 0 343.515 3.119 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256161 1387286588 /nfs/dbraw/zinc/28/65/88/1387286588.db2.gz UAPCUAIRQYOVHX-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2)[NH+]1CCCCC1 ZINC001078626693 1357039938 /nfs/dbraw/zinc/03/99/38/1357039938.db2.gz UCRHLCRHCZWGLH-ZWKOTPCHSA-N 2 0 347.547 3.068 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082612279 1358066174 /nfs/dbraw/zinc/06/61/74/1358066174.db2.gz FKVQUFOOIUHJKU-MISYRCLQSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082783292 1358092435 /nfs/dbraw/zinc/09/24/35/1358092435.db2.gz OXOJLBNCOSXONV-MISYRCLQSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001183517309 1387316019 /nfs/dbraw/zinc/31/60/19/1387316019.db2.gz ZTKXHPVXBQOYBY-NLWGTHIKSA-N 2 0 339.568 3.083 20 0 EGADRP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517040 1387316099 /nfs/dbraw/zinc/31/60/99/1387316099.db2.gz LTSHPWLYQUCYKM-SVFBPWRDSA-N 2 0 349.563 3.147 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCC(C)C)[C@H]3C2)C1 ZINC001085014348 1358367701 /nfs/dbraw/zinc/36/77/01/1358367701.db2.gz XILSIACESOPCOW-AQNXPRMDSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCCC3CCCC3)[C@H]2C1)[NH+](C)C ZINC001085035228 1358372667 /nfs/dbraw/zinc/37/26/67/1358372667.db2.gz MMKJRYGXPFBDAI-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001085310816 1358462097 /nfs/dbraw/zinc/46/20/97/1358462097.db2.gz QVBVYDVFODROBM-GDAAHCPNSA-N 2 0 349.563 3.170 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)C1 ZINC001085332523 1358470428 /nfs/dbraw/zinc/47/04/28/1358470428.db2.gz BEPWXVQQULKCAS-MISYRCLQSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639554 1358653294 /nfs/dbraw/zinc/65/32/94/1358653294.db2.gz RDHRTPSZRQEFQV-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675069 1358679163 /nfs/dbraw/zinc/67/91/63/1358679163.db2.gz KFADEHCYEOPNJJ-RTBURBONSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085688853 1358689347 /nfs/dbraw/zinc/68/93/47/1358689347.db2.gz STCJXEOOWYEOGF-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725312 1358714134 /nfs/dbraw/zinc/71/41/34/1358714134.db2.gz SEKYINFNWCMEBH-UZLBHIALSA-N 2 0 348.450 3.242 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798802 1358773543 /nfs/dbraw/zinc/77/35/43/1358773543.db2.gz AYJLLUNHZYXACQ-VQTJNVASSA-N 2 0 343.515 3.012 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901328 1358858930 /nfs/dbraw/zinc/85/89/30/1358858930.db2.gz CGIIVDAQQCBWMA-LJQANCHMSA-N 2 0 337.552 3.076 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986430 1358938796 /nfs/dbraw/zinc/93/87/96/1358938796.db2.gz DKSZCZCIKIECKX-LJQANCHMSA-N 2 0 345.531 3.331 20 0 EGADRP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001086119337 1359001321 /nfs/dbraw/zinc/00/13/21/1359001321.db2.gz KMEFKFOFDRQYFF-IYWMVGAKSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001086784669 1359201046 /nfs/dbraw/zinc/20/10/46/1359201046.db2.gz JMHQCQCLJXLZPV-NSHGMRRFSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784816 1359201113 /nfs/dbraw/zinc/20/11/13/1359201113.db2.gz VJACXMAIJBMBPX-YQVWRLOYSA-N 2 0 335.536 3.068 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573160 1359538136 /nfs/dbraw/zinc/53/81/36/1359538136.db2.gz WGRUIDUKGJQKHV-YZGWKJHDSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC1CC1 ZINC001087573126 1359538194 /nfs/dbraw/zinc/53/81/94/1359538194.db2.gz UTNKENGNRYSDTH-YSIASYRMSA-N 2 0 347.547 3.020 20 0 EGADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634870 1359565534 /nfs/dbraw/zinc/56/55/34/1359565534.db2.gz YSKXBINGSQFAPD-ZWKOTPCHSA-N 2 0 328.460 3.026 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671488 1359582743 /nfs/dbraw/zinc/58/27/43/1359582743.db2.gz DSEVXEHXLSORNG-XUVXKRRUSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)C ZINC001087699458 1359599134 /nfs/dbraw/zinc/59/91/34/1359599134.db2.gz VOPQMIGDAMZJOI-XUVXKRRUSA-N 2 0 349.563 3.409 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001087711904 1359603887 /nfs/dbraw/zinc/60/38/87/1359603887.db2.gz DNDOUYDINGRTHI-VQTJNVASSA-N 2 0 347.547 3.188 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001087774049 1359636747 /nfs/dbraw/zinc/63/67/47/1359636747.db2.gz WEMJTKBVUCUNGC-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CCC(C)C ZINC001087790928 1359647439 /nfs/dbraw/zinc/64/74/39/1359647439.db2.gz MXUMBHPJWGHGBI-VQTJNVASSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021163 1359726495 /nfs/dbraw/zinc/72/64/95/1359726495.db2.gz XGQWRHJTRRJPAL-MSOLQXFVSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@H]1CN(C(=O)CCc2ncc[nH]2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184273197 1387421993 /nfs/dbraw/zinc/42/19/93/1387421993.db2.gz JPTFBAIFNHLABK-IRXDYDNUSA-N 2 0 348.535 3.243 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1 ZINC001088411909 1359883408 /nfs/dbraw/zinc/88/34/08/1359883408.db2.gz SVCRQAUYFDZFEV-RBUKOAKNSA-N 2 0 337.552 3.410 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC)C1 ZINC001088411905 1359883429 /nfs/dbraw/zinc/88/34/29/1359883429.db2.gz SUYNBKIQBAETJE-RBUKOAKNSA-N 2 0 337.552 3.412 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC)C1 ZINC001088411903 1359883763 /nfs/dbraw/zinc/88/37/63/1359883763.db2.gz SUYNBKIQBAETJE-MOPGFXCFSA-N 2 0 337.552 3.412 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088413604 1359884620 /nfs/dbraw/zinc/88/46/20/1359884620.db2.gz JXWXTUWVPHQXEU-WOJBJXKFSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001088424808 1359893584 /nfs/dbraw/zinc/89/35/84/1359893584.db2.gz GKQWQDWIRUNCIO-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431368 1359898727 /nfs/dbraw/zinc/89/87/27/1359898727.db2.gz RMPBDDAJFRUWMP-RTBURBONSA-N 2 0 337.552 3.266 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC1CCC1 ZINC001088569563 1359977072 /nfs/dbraw/zinc/97/70/72/1359977072.db2.gz YXJMKQLVEWFOFQ-KPFFTGBYSA-N 2 0 347.547 3.020 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088605592 1359988670 /nfs/dbraw/zinc/98/86/70/1359988670.db2.gz XPCJISHXWWLHFQ-HOJAQTOUSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088621515 1359994003 /nfs/dbraw/zinc/99/40/03/1359994003.db2.gz HJRJYEDBCNDMAJ-QRQLOZEOSA-N 2 0 335.536 3.019 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088621422 1359994113 /nfs/dbraw/zinc/99/41/13/1359994113.db2.gz DAOKSPCXKSKDOQ-QRQLOZEOSA-N 2 0 349.563 3.265 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088692871 1360014085 /nfs/dbraw/zinc/01/40/85/1360014085.db2.gz BBNUSQVFDMSFGF-NZSAHSFTSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCC1CCCC1 ZINC001088708284 1360016886 /nfs/dbraw/zinc/01/68/86/1360016886.db2.gz NUYZTUNCOYMPPB-BEFAXECRSA-N 2 0 340.471 3.107 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCCC1CCC1 ZINC001088748423 1360029359 /nfs/dbraw/zinc/02/93/59/1360029359.db2.gz DWOBCCMYUJKZEA-BEFAXECRSA-N 2 0 340.471 3.107 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1C ZINC001088971018 1360120094 /nfs/dbraw/zinc/12/00/94/1360120094.db2.gz XYTVUUVXIVGWHU-NZSAHSFTSA-N 2 0 335.536 3.020 20 0 EGADRP C[N@H+](C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001089136895 1360195573 /nfs/dbraw/zinc/19/55/73/1360195573.db2.gz OZFBYNCXSBCFNQ-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089380543 1360383518 /nfs/dbraw/zinc/38/35/18/1360383518.db2.gz FJZVLLPTZFZKQV-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089381788 1360384308 /nfs/dbraw/zinc/38/43/08/1360384308.db2.gz NYPKTCYFLQCOFQ-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC=C(C)C)CC(C)(C)C2)CC[N@@H+]1C ZINC001089391823 1360392400 /nfs/dbraw/zinc/39/24/00/1360392400.db2.gz PKSPKJQBJIHPPP-CEXWTWQISA-N 2 0 349.563 3.290 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089401813 1360401222 /nfs/dbraw/zinc/40/12/22/1360401222.db2.gz XTAZSBNFTQNBSR-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC(C)(C)C1 ZINC001089446476 1360435849 /nfs/dbraw/zinc/43/58/49/1360435849.db2.gz WXPNJIGHJGPGMA-SFHVURJKSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457559 1360444096 /nfs/dbraw/zinc/44/40/96/1360444096.db2.gz BGGVNDHEMLMTRY-GOSISDBHSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C(C)C)CC(C)(C)C2)C1 ZINC001089473126 1360456775 /nfs/dbraw/zinc/45/67/75/1360456775.db2.gz SOCCBAPMVUZBCR-ROUUACIJSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089509054 1360480784 /nfs/dbraw/zinc/48/07/84/1360480784.db2.gz DIJMEVOYCFRENP-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089565388 1360512471 /nfs/dbraw/zinc/51/24/71/1360512471.db2.gz QNZUUQQMNNXSCM-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001089641880 1360554324 /nfs/dbraw/zinc/55/43/24/1360554324.db2.gz WCTQJIYNCMNCBM-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705773 1360608416 /nfs/dbraw/zinc/60/84/16/1360608416.db2.gz JJVQDGIEBJPAFZ-MSOLQXFVSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734455 1360639266 /nfs/dbraw/zinc/63/92/66/1360639266.db2.gz QTFLEPNGFAHSFN-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001323814002 1387466139 /nfs/dbraw/zinc/46/61/39/1387466139.db2.gz WBSIXJNJWBXKLK-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP O=C(NCC1CC([NH2+]CC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001091068434 1360988754 /nfs/dbraw/zinc/98/87/54/1360988754.db2.gz NPRFEDJDHWQZON-AFMYVXGZSA-N 2 0 347.547 3.068 20 0 EGADRP O=C(NCC1CC([NH2+]CC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001091124173 1360994396 /nfs/dbraw/zinc/99/43/96/1360994396.db2.gz RLIXBQRVIGWZAS-UHFFFAOYSA-N 2 0 340.471 3.013 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001184560559 1387492756 /nfs/dbraw/zinc/49/27/56/1387492756.db2.gz TZWDVJMHUWHRQY-LJQANCHMSA-N 2 0 345.531 3.175 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666852 1361175685 /nfs/dbraw/zinc/17/56/85/1361175685.db2.gz INZPWWPXCZNUDH-SBHAEUEKSA-N 2 0 349.563 3.076 20 0 EGADRP CN(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC001323991720 1387505516 /nfs/dbraw/zinc/50/55/16/1387505516.db2.gz SDICQYSILUJFNR-HKUYNNGSSA-N 2 0 337.458 3.396 20 0 EGADRP CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001184702415 1387514942 /nfs/dbraw/zinc/51/49/42/1387514942.db2.gz YATIRRLDEUUBKC-DOTOQJQBSA-N 2 0 342.487 3.131 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184722981 1387520333 /nfs/dbraw/zinc/52/03/33/1387520333.db2.gz GIIZHTZOXUPRCK-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001093120761 1361532998 /nfs/dbraw/zinc/53/29/98/1361532998.db2.gz MNUUTBDVWRKWPF-MISYRCLQSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001324083673 1387534512 /nfs/dbraw/zinc/53/45/12/1387534512.db2.gz XIQBEQPWLGHHBN-MJGOQNOKSA-N 2 0 345.531 3.134 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001094529407 1361845796 /nfs/dbraw/zinc/84/57/96/1361845796.db2.gz ROXYEKDSFKOGSQ-SFHLNBCPSA-N 2 0 347.547 3.020 20 0 EGADRP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C[NH2+]CC1CC1 ZINC001184891255 1387556156 /nfs/dbraw/zinc/55/61/56/1387556156.db2.gz CRBLDCKDTUFWSH-IEBWSBKVSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095767626 1362223819 /nfs/dbraw/zinc/22/38/19/1362223819.db2.gz PHOTVYVWCGSUFT-NJAFHUGGSA-N 2 0 340.471 3.106 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)C1 ZINC001096015346 1362335584 /nfs/dbraw/zinc/33/55/84/1362335584.db2.gz CKWYFZJRLPZSBU-QYZOEREBSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185054290 1387601188 /nfs/dbraw/zinc/60/11/88/1387601188.db2.gz YNUYQWGZPKPWSN-IAGOWNOFSA-N 2 0 349.519 3.219 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185054294 1387601236 /nfs/dbraw/zinc/60/12/36/1387601236.db2.gz YNUYQWGZPKPWSN-SJORKVTESA-N 2 0 349.519 3.219 20 0 EGADRP C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001097971840 1363184198 /nfs/dbraw/zinc/18/41/98/1363184198.db2.gz JRUOYHQIZLJPOX-MANSERQUSA-N 2 0 349.563 3.409 20 0 EGADRP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C1CCCC1 ZINC001098812258 1363477496 /nfs/dbraw/zinc/47/74/96/1363477496.db2.gz AMTBFZMJEMEAHS-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1)C1CCCC1 ZINC001098822271 1363482503 /nfs/dbraw/zinc/48/25/03/1363482503.db2.gz YEYFTHMUKAKTNM-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC1)C2 ZINC001098875155 1363501477 /nfs/dbraw/zinc/50/14/77/1363501477.db2.gz NECVMXBHDKJAJO-ZJOUEHCJSA-N 2 0 347.547 3.020 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(C)(C)C)C3)CC1 ZINC001099062749 1363602991 /nfs/dbraw/zinc/60/29/91/1363602991.db2.gz DACSGZZKSNKGAR-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)(C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCCC1 ZINC001324470905 1387634326 /nfs/dbraw/zinc/63/43/26/1387634326.db2.gz TZNKLFLRIDGNQH-IBGZPJMESA-N 2 0 349.563 3.316 20 0 EGADRP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110719 1363628973 /nfs/dbraw/zinc/62/89/73/1363628973.db2.gz HJMFAJNRFWAPRM-OVKVCFKUSA-N 2 0 349.563 3.434 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC001099125331 1363637799 /nfs/dbraw/zinc/63/77/99/1363637799.db2.gz DFNBKMDHNNZMQQ-RBUKOAKNSA-N 2 0 345.531 3.134 20 0 EGADRP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130295 1363642500 /nfs/dbraw/zinc/64/25/00/1363642500.db2.gz KFEXQKBDVFEJJH-INIZCTEOSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099166712 1363667330 /nfs/dbraw/zinc/66/73/30/1363667330.db2.gz ZDYQWUBUYXVPLA-GOSISDBHSA-N 2 0 349.563 3.434 20 0 EGADRP CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001099178493 1363674707 /nfs/dbraw/zinc/67/47/07/1363674707.db2.gz DQUSUENCOIZEPU-JXFKEZNVSA-N 2 0 347.503 3.116 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225437 1363701369 /nfs/dbraw/zinc/70/13/69/1363701369.db2.gz VFMRNLLMFVDRSM-ZWKOTPCHSA-N 2 0 339.568 3.226 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099230045 1363703182 /nfs/dbraw/zinc/70/31/82/1363703182.db2.gz PWUNYZXZHFJBCE-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099319577 1363746867 /nfs/dbraw/zinc/74/68/67/1363746867.db2.gz CDCPPFZOWLFDAT-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C[C@H](C)CC ZINC001099321423 1363748957 /nfs/dbraw/zinc/74/89/57/1363748957.db2.gz WNDOQACZFNKMEG-MSOLQXFVSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C[C@H](C)CC ZINC001099321424 1363749235 /nfs/dbraw/zinc/74/92/35/1363749235.db2.gz WNDOQACZFNKMEG-QZTJIDSGSA-N 2 0 339.568 3.371 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339991 1363759392 /nfs/dbraw/zinc/75/93/92/1363759392.db2.gz NHTFNFRFPGMOPA-GHOSXJJBSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001099349016 1363765648 /nfs/dbraw/zinc/76/56/48/1363765648.db2.gz NHBZJBHSCZBMOW-RBUKOAKNSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372475 1363777546 /nfs/dbraw/zinc/77/75/46/1363777546.db2.gz NUFKHJVUCJZQHF-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1)[NH+](C)C ZINC001099453883 1363803488 /nfs/dbraw/zinc/80/34/88/1363803488.db2.gz VDCUDBWULOUQAC-ZVDOUQERSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CC(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C2CCCC2)C1 ZINC001324507454 1387656284 /nfs/dbraw/zinc/65/62/84/1387656284.db2.gz UDFFDOGLXILWBD-AFMYVXGZSA-N 2 0 349.563 3.029 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403027 1364103581 /nfs/dbraw/zinc/10/35/81/1364103581.db2.gz BKGBZMKIHFDPRD-OYCKCEAOSA-N 2 0 349.563 3.195 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100419177 1364108564 /nfs/dbraw/zinc/10/85/64/1364108564.db2.gz OUDBGWDLGBHWIU-ABHNRTSZSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100471131 1364126651 /nfs/dbraw/zinc/12/66/51/1364126651.db2.gz QBZUKGXEYNNLRQ-SOAGJPPSSA-N 2 0 349.563 3.172 20 0 EGADRP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100470990 1364126882 /nfs/dbraw/zinc/12/68/82/1364126882.db2.gz KHOKTUKSRMSILR-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185261848 1387663004 /nfs/dbraw/zinc/66/30/04/1387663004.db2.gz YJXRMTROXVZSMY-OANMOWAGSA-N 2 0 349.563 3.149 20 0 EGADRP CC[C@@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001100887541 1364312856 /nfs/dbraw/zinc/31/28/56/1364312856.db2.gz HOQOTBOIHKKBJL-LYBXBRPPSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001101035896 1364383351 /nfs/dbraw/zinc/38/33/51/1364383351.db2.gz DEIDOYMETAJUPD-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001101037355 1364384082 /nfs/dbraw/zinc/38/40/82/1364384082.db2.gz JQXUYCWVERRLKL-SOAGJPPSSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037922 1364384376 /nfs/dbraw/zinc/38/43/76/1364384376.db2.gz YDYIGAGTWKHBRJ-HPEWHVDNSA-N 2 0 349.563 3.338 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271605 1364493676 /nfs/dbraw/zinc/49/36/76/1364493676.db2.gz SFAFXYRCBPOJOL-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101361702 1364528087 /nfs/dbraw/zinc/52/80/87/1364528087.db2.gz CFJRRYOACMPFTM-DYXWJJEUSA-N 2 0 349.563 3.077 20 0 EGADRP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001101381214 1364538532 /nfs/dbraw/zinc/53/85/32/1364538532.db2.gz GMIAWCPHJJPLHF-ZVDOUQERSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001101561484 1364620146 /nfs/dbraw/zinc/62/01/46/1364620146.db2.gz DYZVPDCAFCIQHC-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001101568119 1364623846 /nfs/dbraw/zinc/62/38/46/1364623846.db2.gz OQTNZNKSFJLOJL-KRWDZBQOSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001101569629 1364624498 /nfs/dbraw/zinc/62/44/98/1364624498.db2.gz IMYWJRNELDANTN-UHFFFAOYSA-N 2 0 349.563 3.149 20 0 EGADRP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001102264690 1364976452 /nfs/dbraw/zinc/97/64/52/1364976452.db2.gz WAHKQQADKLCZDU-AHSYYPKJSA-N 2 0 349.563 3.149 20 0 EGADRP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276601 1364981141 /nfs/dbraw/zinc/98/11/41/1364981141.db2.gz RJZHUWLTDMODKE-FYHBMDRXSA-N 2 0 349.563 3.147 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC001324640989 1387714032 /nfs/dbraw/zinc/71/40/32/1387714032.db2.gz HJNQFUUNOXKMKD-JYNAJPCDSA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102357854 1365021118 /nfs/dbraw/zinc/02/11/18/1365021118.db2.gz LZZRPAUMWSIURR-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583148 1365124194 /nfs/dbraw/zinc/12/41/94/1365124194.db2.gz XPDHSIZWUMSFLW-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001324669088 1387725225 /nfs/dbraw/zinc/72/52/25/1387725225.db2.gz LAGFYDDSJJAUEY-FQEVSTJZSA-N 2 0 337.552 3.125 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103721 1365381846 /nfs/dbraw/zinc/38/18/46/1365381846.db2.gz WDXBRHFKCZRLFE-QFTWQFLFSA-N 2 0 349.563 3.291 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103301 1365381884 /nfs/dbraw/zinc/38/18/84/1365381884.db2.gz CGCGIOKTLSDZEP-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103309486 1365486270 /nfs/dbraw/zinc/48/62/70/1365486270.db2.gz YZXAPDNJUFOREO-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001185548156 1387745258 /nfs/dbraw/zinc/74/52/58/1387745258.db2.gz KJFJVBIKJLURMW-ICSRJNTNSA-N 2 0 349.563 3.293 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378894 1365525489 /nfs/dbraw/zinc/52/54/89/1365525489.db2.gz PTQAQUOLGMMGEK-QZTJIDSGSA-N 2 0 339.568 3.229 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444957 1365564381 /nfs/dbraw/zinc/56/43/81/1365564381.db2.gz RISFRHLXALOYCJ-PWHNWJGYSA-N 2 0 337.552 3.147 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001185709534 1387784001 /nfs/dbraw/zinc/78/40/01/1387784001.db2.gz IOIKEKFNXKKVHB-AZUAARDMSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001104625260 1366106946 /nfs/dbraw/zinc/10/69/46/1366106946.db2.gz CAQYUKIUWRFCFO-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1)c1ccccc1 ZINC001104896849 1366214115 /nfs/dbraw/zinc/21/41/15/1366214115.db2.gz RXHDWTVKCJCOBK-MISYRCLQSA-N 2 0 345.531 3.162 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104925021 1366226133 /nfs/dbraw/zinc/22/61/33/1366226133.db2.gz XTZRYEPZTYDAED-LXORQPIJSA-N 2 0 337.552 3.149 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1CC[NH2+]CC1CCC1 ZINC001105025465 1366283571 /nfs/dbraw/zinc/28/35/71/1366283571.db2.gz WUBHLJBSCVUQQZ-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067405 1366304499 /nfs/dbraw/zinc/30/44/99/1366304499.db2.gz ZFUPDHRMLWWVGW-QRVBRYPASA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105395998 1366444725 /nfs/dbraw/zinc/44/47/25/1366444725.db2.gz GMAXIZTXYBBGBV-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396646 1366445296 /nfs/dbraw/zinc/44/52/96/1366445296.db2.gz RJEDFWQJXNUYPV-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105536627 1366516187 /nfs/dbraw/zinc/51/61/87/1366516187.db2.gz FOIOAQDVVHSXKB-MSOLQXFVSA-N 2 0 335.536 3.020 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541832 1366520325 /nfs/dbraw/zinc/52/03/25/1366520325.db2.gz KXJKWQNZBSWBKL-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542523 1366520541 /nfs/dbraw/zinc/52/05/41/1366520541.db2.gz XAMFXDJJYBYTSU-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544871 1366521558 /nfs/dbraw/zinc/52/15/58/1366521558.db2.gz WUKYBCNARKBOEI-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)CCC1 ZINC001105546967 1366523486 /nfs/dbraw/zinc/52/34/86/1366523486.db2.gz WDOMLKGDUIYSQU-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105556637 1366529359 /nfs/dbraw/zinc/52/93/59/1366529359.db2.gz MLBWWYTVKFPQRV-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105558901 1366530254 /nfs/dbraw/zinc/53/02/54/1366530254.db2.gz HIYKMYVIXLEUQY-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC[NH2+]CC1([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001105571980 1366538740 /nfs/dbraw/zinc/53/87/40/1366538740.db2.gz DJNWHEOEGBDCCQ-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105575119 1366540037 /nfs/dbraw/zinc/54/00/37/1366540037.db2.gz RQKFGXYVBVZAJX-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248778 1366633104 /nfs/dbraw/zinc/63/31/04/1366633104.db2.gz YRWBYVZQYHZMIZ-VMASUYHGSA-N 2 0 349.563 3.005 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765425 1366792168 /nfs/dbraw/zinc/79/21/68/1366792168.db2.gz BINMIENQWNHLQO-YLJYHZDGSA-N 2 0 343.515 3.012 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106910564 1366830481 /nfs/dbraw/zinc/83/04/81/1366830481.db2.gz DMWOPTMXMJVACT-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107030652 1366861213 /nfs/dbraw/zinc/86/12/13/1366861213.db2.gz QMRWPEWXQRNEMJ-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036874 1366862601 /nfs/dbraw/zinc/86/26/01/1366862601.db2.gz UMXUFDFDJILULA-FBYXPACISA-N 2 0 349.563 3.291 20 0 EGADRP CCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107407630 1366954746 /nfs/dbraw/zinc/95/47/46/1366954746.db2.gz DFQIOEXHAHYTPN-WIYYLYMNSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435931 1366963015 /nfs/dbraw/zinc/96/30/15/1366963015.db2.gz GDYDWHOMVWVSRO-QKNQBKEWSA-N 2 0 349.563 3.266 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484419 1367033785 /nfs/dbraw/zinc/03/37/85/1367033785.db2.gz HWYOTFNJUDSJJV-XUVXKRRUSA-N 2 0 343.515 3.012 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189621317 1367070005 /nfs/dbraw/zinc/07/00/05/1367070005.db2.gz HVHDVYTWFNKAHY-VQTJNVASSA-N 2 0 349.563 3.220 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107635447 1367085297 /nfs/dbraw/zinc/08/52/97/1367085297.db2.gz QKVORVQHELXDRO-TZIWHRDSSA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174614 1367190799 /nfs/dbraw/zinc/19/07/99/1367190799.db2.gz GPVKEPXVAPCNEZ-UYAOXDASSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)CCCC1 ZINC001109565360 1367201740 /nfs/dbraw/zinc/20/17/40/1367201740.db2.gz LZWSYHUYAVSBAO-SQNIBIBYSA-N 2 0 349.563 3.409 20 0 EGADRP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635583 1367254778 /nfs/dbraw/zinc/25/47/78/1367254778.db2.gz JNDSDZTZMQKPHI-CKZPPYNSSA-N 2 0 347.547 3.186 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001109733383 1367295039 /nfs/dbraw/zinc/29/50/39/1367295039.db2.gz LPLLLHYPUWQJLG-FYQPLNBISA-N 2 0 349.563 3.409 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654799 1367318990 /nfs/dbraw/zinc/31/89/90/1367318990.db2.gz LOELZFSLAPKVEW-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCC1CCCCC1)c1ccccc1 ZINC001190708851 1367333115 /nfs/dbraw/zinc/33/31/15/1367333115.db2.gz XLYIQNCXWNQQFZ-HXUWFJFHSA-N 2 0 345.531 3.308 20 0 EGADRP CCc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)cc1 ZINC001190997265 1367399201 /nfs/dbraw/zinc/39/92/01/1367399201.db2.gz SYEDOLCYTQGJEO-LJQANCHMSA-N 2 0 345.531 3.012 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190997711 1367400226 /nfs/dbraw/zinc/40/02/26/1367400226.db2.gz YAFULUHGDKWDNT-MOPGFXCFSA-N 2 0 345.531 3.401 20 0 EGADRP CCc1ccccc1C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191018535 1367402959 /nfs/dbraw/zinc/40/29/59/1367402959.db2.gz AVAKKPMQEDFCPK-LJQANCHMSA-N 2 0 345.531 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1C ZINC001109928393 1367408749 /nfs/dbraw/zinc/40/87/49/1367408749.db2.gz UJWWIMPYZTXBHX-JYBIWHBTSA-N 2 0 343.515 3.119 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082180 1367420158 /nfs/dbraw/zinc/42/01/58/1367420158.db2.gz VFOOIQWJZVUBCB-OALUTQOASA-N 2 0 337.552 3.076 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001110016259 1367459356 /nfs/dbraw/zinc/45/93/56/1367459356.db2.gz GBODWLZYGOMHRB-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@@H]1C ZINC001191416461 1367498739 /nfs/dbraw/zinc/49/87/39/1367498739.db2.gz IFTKDAXQAMDASI-DOTOQJQBSA-N 2 0 335.467 3.267 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158927 1367531379 /nfs/dbraw/zinc/53/13/79/1367531379.db2.gz YYUGPAKFXGSIEM-FYQPLNBISA-N 2 0 347.547 3.185 20 0 EGADRP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717463 1367553826 /nfs/dbraw/zinc/55/38/26/1367553826.db2.gz LAWITXDOHIDVAE-XOQOMHCNSA-N 2 0 335.536 3.042 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108764280 1367579828 /nfs/dbraw/zinc/57/98/28/1367579828.db2.gz BXNGRPOOXRPNNB-OTWHNJEPSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828309 1367623328 /nfs/dbraw/zinc/62/33/28/1367623328.db2.gz LEGSGWDRTQQEQC-OTWHNJEPSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828428 1367624090 /nfs/dbraw/zinc/62/40/90/1367624090.db2.gz OVLCPRKQCIYVGC-UFYCRDLUSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946863 1367646515 /nfs/dbraw/zinc/64/65/15/1367646515.db2.gz FSTLPHCVKKKLGT-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950001 1367647395 /nfs/dbraw/zinc/64/73/95/1367647395.db2.gz SEFOGZZNDSMZRT-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001192046706 1367673706 /nfs/dbraw/zinc/67/37/06/1367673706.db2.gz OWFQYGJBVXSQPI-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846266 1367886826 /nfs/dbraw/zinc/88/68/26/1367886826.db2.gz LBERMXIXCUFXRT-FQEVSTJZSA-N 2 0 345.531 3.331 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917013 1367903566 /nfs/dbraw/zinc/90/35/66/1367903566.db2.gz HRFYPOPQYNQBBM-MSOLQXFVSA-N 2 0 325.541 3.076 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001192960601 1367911869 /nfs/dbraw/zinc/91/18/69/1367911869.db2.gz RWTGOMOXRUUOMC-FQEVSTJZSA-N 2 0 345.531 3.185 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001110693520 1367931596 /nfs/dbraw/zinc/93/15/96/1367931596.db2.gz MICSVPNXZPVPCM-ZRNYENFQSA-N 2 0 349.563 3.265 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001193424781 1368026365 /nfs/dbraw/zinc/02/63/65/1368026365.db2.gz PAPSDZFQRRVJAX-MSOLQXFVSA-N 2 0 343.531 3.169 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500183 1368046876 /nfs/dbraw/zinc/04/68/76/1368046876.db2.gz QUNLTPXMGJGTOM-IWAYRVGRSA-N 2 0 344.503 3.040 20 0 EGADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001193500301 1368047043 /nfs/dbraw/zinc/04/70/43/1368047043.db2.gz RZJYHRLOIVQQNV-INIZCTEOSA-N 2 0 346.519 3.120 20 0 EGADRP CCC1(CC)CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001193535836 1368056859 /nfs/dbraw/zinc/05/68/59/1368056859.db2.gz HREHEZRQTUCLIX-IBGZPJMESA-N 2 0 345.531 3.308 20 0 EGADRP C[C@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558909 1368061430 /nfs/dbraw/zinc/06/14/30/1368061430.db2.gz FGLNQAIFCDXBKP-APWZRJJASA-N 2 0 349.494 3.151 20 0 EGADRP C[C@@H](c1ccccc1F)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559009 1368061532 /nfs/dbraw/zinc/06/15/32/1368061532.db2.gz GOCMNQQIQYVRHS-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193561349 1368062197 /nfs/dbraw/zinc/06/21/97/1368062197.db2.gz YFVFHGQOAUQSJN-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980147 1368132749 /nfs/dbraw/zinc/13/27/49/1368132749.db2.gz ROURECCIBWJGPQ-LIRZEXBASA-N 2 0 349.906 3.074 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001110994285 1368137936 /nfs/dbraw/zinc/13/79/36/1368137936.db2.gz WIZQCDSOGKMFCY-YSTOQKLRSA-N 2 0 349.563 3.265 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230152 1368205729 /nfs/dbraw/zinc/20/57/29/1368205729.db2.gz IAPHLWGRDPWJLH-WTGUMLROSA-N 2 0 343.515 3.201 20 0 EGADRP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246771 1368217272 /nfs/dbraw/zinc/21/72/72/1368217272.db2.gz RPWIBKKWJQDRBR-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001194286177 1368224559 /nfs/dbraw/zinc/22/45/59/1368224559.db2.gz WJYRGWUPZWIGFX-GOSISDBHSA-N 2 0 337.552 3.076 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CC=C(C)C)C2)o1 ZINC001194408083 1368255510 /nfs/dbraw/zinc/25/55/10/1368255510.db2.gz OMNXWYZWSNHWFO-QGZVFWFLSA-N 2 0 347.503 3.234 20 0 EGADRP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)cs1 ZINC001111296485 1368256645 /nfs/dbraw/zinc/25/66/45/1368256645.db2.gz LDILIFURVNSAKS-KURKYZTESA-N 2 0 349.544 3.010 20 0 EGADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001111298752 1368258140 /nfs/dbraw/zinc/25/81/40/1368258140.db2.gz OVHUEXZDZRLDJK-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001111303812 1368261164 /nfs/dbraw/zinc/26/11/64/1368261164.db2.gz AKWDVEHMUPSQOC-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111306061 1368261347 /nfs/dbraw/zinc/26/13/47/1368261347.db2.gz ZHGICIXTNHYHIG-MOZIWPGPSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001111466558 1368310977 /nfs/dbraw/zinc/31/09/77/1368310977.db2.gz ZVIQKVLPLZOQOQ-QRVBRYPASA-N 2 0 349.563 3.265 20 0 EGADRP Cc1cccc([C@@H](C)[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C(C)C)C3)c1 ZINC001111464329 1368311357 /nfs/dbraw/zinc/31/13/57/1368311357.db2.gz REXOAOIRQGQISN-AFYVEPGGSA-N 2 0 343.515 3.118 20 0 EGADRP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111460321 1368311371 /nfs/dbraw/zinc/31/13/71/1368311371.db2.gz QWZPGGUCKODISQ-QRVBRYPASA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467702 1368311777 /nfs/dbraw/zinc/31/17/77/1368311777.db2.gz SJJUBOYRRNPUOW-YSTOQKLRSA-N 2 0 349.563 3.265 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001195111442 1368379771 /nfs/dbraw/zinc/37/97/71/1368379771.db2.gz CNXJOMGADZCKNN-AQNXPRMDSA-N 2 0 329.532 3.171 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2 ZINC001111782471 1368459715 /nfs/dbraw/zinc/45/97/15/1368459715.db2.gz KOJQZHXXQAMMBK-ZVDOUQERSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870725 1368517973 /nfs/dbraw/zinc/51/79/73/1368517973.db2.gz LOQJXQAJJXSISK-HBFSDRIKSA-N 2 0 335.536 3.022 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201051 1368566723 /nfs/dbraw/zinc/56/67/23/1368566723.db2.gz SWVYUCSGCCVYQB-ZMBJWTFHSA-N 2 0 335.536 3.142 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)c1ccccc1)C2 ZINC001112009737 1368613764 /nfs/dbraw/zinc/61/37/64/1368613764.db2.gz RNOIBNYBJCKNNW-CUWPLCDZSA-N 2 0 343.515 3.059 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196656505 1368657068 /nfs/dbraw/zinc/65/70/68/1368657068.db2.gz PXRPRXOZHBYKDS-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCCNC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001196687129 1368662868 /nfs/dbraw/zinc/66/28/68/1368662868.db2.gz WJLJPFFHIDHVQR-UHFFFAOYSA-N 2 0 348.560 3.301 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC(C)(C)C)C1 ZINC001112284828 1368748552 /nfs/dbraw/zinc/74/85/52/1368748552.db2.gz AQAUIGALFVSIFU-UEXGIBASSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353678 1368784819 /nfs/dbraw/zinc/78/48/19/1368784819.db2.gz VYJQNPGMSAQEQV-ZJOUEHCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1)C1CCC1 ZINC001112401808 1368825452 /nfs/dbraw/zinc/82/54/52/1368825452.db2.gz YZRACXJHDYEUQE-UWJYYQICSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001112540020 1368920624 /nfs/dbraw/zinc/92/06/24/1368920624.db2.gz BOKONVIEFOEPEH-DYXWJJEUSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccccc2CC)CC1 ZINC001197907371 1368922939 /nfs/dbraw/zinc/92/29/39/1368922939.db2.gz CRDXPCAHXBJDLB-UHFFFAOYSA-N 2 0 345.531 3.015 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198229841 1368984144 /nfs/dbraw/zinc/98/41/44/1368984144.db2.gz PLWOWLSPGSHOIW-LJQANCHMSA-N 2 0 343.515 3.158 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243358 1368987325 /nfs/dbraw/zinc/98/73/25/1368987325.db2.gz IMKOSCRPMNYBLR-IBGZPJMESA-N 2 0 337.552 3.079 20 0 EGADRP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259857 1368991321 /nfs/dbraw/zinc/99/13/21/1368991321.db2.gz RZSWVCOBKLAUIN-KKHYBRAUSA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259862 1368992666 /nfs/dbraw/zinc/99/26/66/1368992666.db2.gz RZSWVCOBKLAUIN-RRFGBZISSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112964835 1369111999 /nfs/dbraw/zinc/11/19/99/1369111999.db2.gz ABXZVQPPQVUWLK-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP Cc1c(C(=O)N2CC[NH+](C[C@H](C)CC(C)C)CC2)ccc2c[nH+]cn21 ZINC001113054243 1369169398 /nfs/dbraw/zinc/16/93/98/1369169398.db2.gz ZXPIIEUYNHCXRJ-MRXNPFEDSA-N 2 0 342.487 3.083 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113057430 1369171113 /nfs/dbraw/zinc/17/11/13/1369171113.db2.gz QNCSOXNEDQIPLS-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CCOc1ccc(CNc2ccc(C[NH+](C)C)cc2)cc1 ZINC001199531437 1369233773 /nfs/dbraw/zinc/23/37/73/1369233773.db2.gz VXUQJAZISHDEBD-UHFFFAOYSA-N 2 0 327.472 3.301 20 0 EGADRP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113160588 1369235276 /nfs/dbraw/zinc/23/52/76/1369235276.db2.gz FNTMMLJSBXBZRQ-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200507748 1369382922 /nfs/dbraw/zinc/38/29/22/1369382922.db2.gz QKXARTHIYZHGFK-OVKVCFKUSA-N 2 0 335.536 3.186 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577727 1369392885 /nfs/dbraw/zinc/39/28/85/1369392885.db2.gz FNCRVBPOBBHUBH-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577994 1369393542 /nfs/dbraw/zinc/39/35/42/1369393542.db2.gz JNELMWDLDRIYNJ-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201043866 1369470653 /nfs/dbraw/zinc/47/06/53/1369470653.db2.gz KPIAYMIZKRGDAM-LJQANCHMSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201043805 1369470864 /nfs/dbraw/zinc/47/08/64/1369470864.db2.gz JPZSJFJIBOAXNZ-GOSISDBHSA-N 2 0 337.552 3.266 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001201182541 1369491515 /nfs/dbraw/zinc/49/15/15/1369491515.db2.gz IGTTWZZPOWOEPA-GOSISDBHSA-N 2 0 334.508 3.241 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001201321515 1369518701 /nfs/dbraw/zinc/51/87/01/1369518701.db2.gz OHXCKPFDICALQV-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001201327343 1369520536 /nfs/dbraw/zinc/52/05/36/1369520536.db2.gz MAWOTRWTEWSFGK-UHFFFAOYSA-N 2 0 345.531 3.114 20 0 EGADRP c1cncc(C[NH+]2CCO[C@@H]3C[N@H+](CC4CCCCC4)CC[C@@H]3C2)c1 ZINC001201397814 1369537026 /nfs/dbraw/zinc/53/70/26/1369537026.db2.gz RKIFGOCMOROWLR-NHCUHLMSSA-N 2 0 343.515 3.185 20 0 EGADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC001201416685 1369540867 /nfs/dbraw/zinc/54/08/67/1369540867.db2.gz QVQSQLRHQIEMCD-MSOLQXFVSA-N 2 0 330.497 3.369 20 0 EGADRP CC(C)=CCC[C@H](C)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001201496150 1369557762 /nfs/dbraw/zinc/55/77/62/1369557762.db2.gz KZPYEHUTBALGTQ-KRWDZBQOSA-N 2 0 335.536 3.031 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201503387 1369558753 /nfs/dbraw/zinc/55/87/53/1369558753.db2.gz PDKQQXZTIVQJMM-UIFIKXQLSA-N 2 0 334.548 3.493 20 0 EGADRP CCC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201551121 1369573061 /nfs/dbraw/zinc/57/30/61/1369573061.db2.gz PJWHOWFTVBFVEJ-DFQSSKMNSA-N 2 0 331.504 3.041 20 0 EGADRP CC(C)CC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201617378 1369591111 /nfs/dbraw/zinc/59/11/11/1369591111.db2.gz IWTWTEHYRGPVGN-LJQANCHMSA-N 2 0 331.504 3.183 20 0 EGADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccccc1)C2 ZINC001201661082 1369598724 /nfs/dbraw/zinc/59/87/24/1369598724.db2.gz NYTPYRGPHMTHIO-VXKWHMMOSA-N 2 0 342.527 3.300 20 0 EGADRP COc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC001201664822 1369600517 /nfs/dbraw/zinc/60/05/17/1369600517.db2.gz SHUAKXCXPPIOND-UHFFFAOYSA-N 2 0 341.455 3.105 20 0 EGADRP CC(=O)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(Cl)c1 ZINC001201668639 1369601777 /nfs/dbraw/zinc/60/17/77/1369601777.db2.gz YMPCPNZRYAKOJP-UHFFFAOYSA-N 2 0 344.846 3.433 20 0 EGADRP CSCCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001201689148 1369606453 /nfs/dbraw/zinc/60/64/53/1369606453.db2.gz VLDBLNDRQUZVIK-UHFFFAOYSA-N 2 0 334.529 3.107 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201794147 1369624942 /nfs/dbraw/zinc/62/49/42/1369624942.db2.gz SNOXZAKVIDRGOM-LJQANCHMSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001325665776 1388025483 /nfs/dbraw/zinc/02/54/83/1388025483.db2.gz QAMGMRAJQOHKKU-IYARVYRRSA-N 2 0 339.568 3.133 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001202474311 1369783046 /nfs/dbraw/zinc/78/30/46/1369783046.db2.gz YVJGVBNCUAHEJM-MJGOQNOKSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@@H](C(=O)N1CCC([NH2+]CCC2CCCC2)CC1)[NH+](CC)CC ZINC001202473892 1369783227 /nfs/dbraw/zinc/78/32/27/1369783227.db2.gz RHRAAYYROVRKQZ-IBGZPJMESA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186981042 1388034971 /nfs/dbraw/zinc/03/49/71/1388034971.db2.gz KEMGEPAYFJGHMF-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1csc(CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC001325716611 1388033564 /nfs/dbraw/zinc/03/35/64/1388033564.db2.gz IPCKORXDNUUOQA-VQIMIIECSA-N 2 0 343.496 3.230 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH2+]CC2CC(C)C2)CC1 ZINC001202974524 1369943090 /nfs/dbraw/zinc/94/30/90/1369943090.db2.gz WLZSPIKYUFMGKD-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001202990920 1369948051 /nfs/dbraw/zinc/94/80/51/1369948051.db2.gz FVPOQXZRDLUDJU-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP [NH3+]CCCCCCC[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC001325749225 1388039459 /nfs/dbraw/zinc/03/94/59/1388039459.db2.gz OQNHAXJFTSGGDP-LJQANCHMSA-N 2 0 329.488 3.344 20 0 EGADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)C1CC1 ZINC001325743619 1388040033 /nfs/dbraw/zinc/04/00/33/1388040033.db2.gz PVIWTSXUYJJKQD-GBESFXJTSA-N 2 0 327.472 3.045 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203100822 1369983375 /nfs/dbraw/zinc/98/33/75/1369983375.db2.gz ACVWOSOHLUHMBI-MSOLQXFVSA-N 2 0 349.563 3.314 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203100880 1369983450 /nfs/dbraw/zinc/98/34/50/1369983450.db2.gz BCZZQYLDDPBMIJ-ROUUACIJSA-N 2 0 347.547 3.234 20 0 EGADRP CC(C)[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203105015 1369984833 /nfs/dbraw/zinc/98/48/33/1369984833.db2.gz VIFJWKNBQWWYLM-IAGOWNOFSA-N 2 0 335.536 3.065 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203114040 1369987391 /nfs/dbraw/zinc/98/73/91/1369987391.db2.gz NNAWAKPTOVCAAZ-IAGOWNOFSA-N 2 0 347.547 3.068 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001187018437 1388041849 /nfs/dbraw/zinc/04/18/49/1388041849.db2.gz NIBMFYONGUTVJL-GOSISDBHSA-N 2 0 343.531 3.219 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001203158919 1370004487 /nfs/dbraw/zinc/00/44/87/1370004487.db2.gz NRMXSQRDYUCXPL-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001203214559 1370027853 /nfs/dbraw/zinc/02/78/53/1370027853.db2.gz LQAHUDYJMVUJML-ROUUACIJSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CC3)C23CCC3)CCCC1 ZINC001203229507 1370032179 /nfs/dbraw/zinc/03/21/79/1370032179.db2.gz GLZZRQKJLQSYBV-ROUUACIJSA-N 2 0 347.547 3.068 20 0 EGADRP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCCCC1 ZINC001203248303 1370038972 /nfs/dbraw/zinc/03/89/72/1370038972.db2.gz FHEAZOCZMZDRAM-FQEVSTJZSA-N 2 0 334.504 3.312 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001203283663 1370061682 /nfs/dbraw/zinc/06/16/82/1370061682.db2.gz UWPDQRWEZIXVGI-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203287287 1370062865 /nfs/dbraw/zinc/06/28/65/1370062865.db2.gz ANWZODSMEZAOGA-UWJYYQICSA-N 2 0 345.531 3.090 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH2+]CC[C@H](C)F)CC1)c1ccccc1 ZINC001203313515 1370078618 /nfs/dbraw/zinc/07/86/18/1370078618.db2.gz SCZDKYFXOZADCN-LPHOPBHVSA-N 2 0 349.494 3.008 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203325978 1370083412 /nfs/dbraw/zinc/08/34/12/1370083412.db2.gz REQWKIJQGTYMNN-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419502 1370118771 /nfs/dbraw/zinc/11/87/71/1370118771.db2.gz LYALVPLIOVEMAN-ZWKOTPCHSA-N 2 0 349.563 3.316 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540064 1370161222 /nfs/dbraw/zinc/16/12/22/1370161222.db2.gz SVEWWQVVZOGQOE-MOPGFXCFSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203605260 1370185251 /nfs/dbraw/zinc/18/52/51/1370185251.db2.gz JXIDWJDLYXABOX-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203606898 1370186165 /nfs/dbraw/zinc/18/61/65/1370186165.db2.gz SEOYMEAPCVGGBQ-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203641436 1370198338 /nfs/dbraw/zinc/19/83/38/1370198338.db2.gz QZFDXFBSZSNRGR-MOPGFXCFSA-N 2 0 349.563 3.316 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742894 1370244927 /nfs/dbraw/zinc/24/49/27/1370244927.db2.gz PYFQDCLDAVJVPW-RTBURBONSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203744034 1370246047 /nfs/dbraw/zinc/24/60/47/1370246047.db2.gz WSZAWUARBNOABU-RBUKOAKNSA-N 2 0 347.547 3.236 20 0 EGADRP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203783968 1370262539 /nfs/dbraw/zinc/26/25/39/1370262539.db2.gz YSPWBEBJTXSUJJ-MSOLQXFVSA-N 2 0 335.536 3.070 20 0 EGADRP C[NH+]1CCC(n2cc(Nc3ccc(C[NH+]4CCCC4)cc3)cn2)CC1 ZINC001203785204 1370262892 /nfs/dbraw/zinc/26/28/92/1370262892.db2.gz DVPNLDBBBHDMJG-UHFFFAOYSA-N 2 0 339.487 3.489 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001203904526 1370308751 /nfs/dbraw/zinc/30/87/51/1370308751.db2.gz ZMOMVDNLQGOPCK-HKUYNNGSSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC001204263739 1370426017 /nfs/dbraw/zinc/42/60/17/1370426017.db2.gz BGEFNQJLIVUTFH-UHFFFAOYSA-N 2 0 345.531 3.077 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@H+](C)CCc2ccncc2)cc1 ZINC001204266940 1370427176 /nfs/dbraw/zinc/42/71/76/1370427176.db2.gz BMULJLTZFNWYNJ-UHFFFAOYSA-N 2 0 327.472 3.087 20 0 EGADRP C[NH+](C)CCCOc1ccc(CN2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001204271891 1370427771 /nfs/dbraw/zinc/42/77/71/1370427771.db2.gz STLRIWPPCFQETF-UHFFFAOYSA-N 2 0 345.531 3.076 20 0 EGADRP CC(C)[N@H+](CCCCCO)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271113 1370427887 /nfs/dbraw/zinc/42/78/87/1370427887.db2.gz DZRRNJHLVAPDMQ-UHFFFAOYSA-N 2 0 336.520 3.390 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)cc1 ZINC001204269859 1370427941 /nfs/dbraw/zinc/42/79/41/1370427941.db2.gz LKUGUKFQZYPHTR-HXUWFJFHSA-N 2 0 346.515 3.266 20 0 EGADRP CCCOC1CC[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204269215 1370428351 /nfs/dbraw/zinc/42/83/51/1370428351.db2.gz XCHZRMNGGXMSML-UHFFFAOYSA-N 2 0 334.504 3.408 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001187231186 1388077352 /nfs/dbraw/zinc/07/73/52/1388077352.db2.gz IDLLXTBZYHOBDX-RTBURBONSA-N 2 0 349.494 3.199 20 0 EGADRP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001115537013 1370534342 /nfs/dbraw/zinc/53/43/42/1370534342.db2.gz RVVHCPRBZHKWRK-OALUTQOASA-N 2 0 347.547 3.070 20 0 EGADRP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573727 1370576588 /nfs/dbraw/zinc/57/65/88/1370576588.db2.gz VIYXOOCUGHVAEH-GHOSXJJBSA-N 2 0 349.563 3.482 20 0 EGADRP C[N@H+](CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1)C1CCC1 ZINC001115574870 1370577817 /nfs/dbraw/zinc/57/78/17/1370577817.db2.gz VKMRLTGCPRYFPU-UHFFFAOYSA-N 2 0 347.547 3.380 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCCC1 ZINC001115592088 1370593007 /nfs/dbraw/zinc/59/30/07/1370593007.db2.gz SBELDINXZIUBKG-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CCCCCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115593313 1370593882 /nfs/dbraw/zinc/59/38/82/1370593882.db2.gz HWPBXEIKZPWJEE-QGZVFWFLSA-N 2 0 325.541 3.316 20 0 EGADRP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115596722 1370597540 /nfs/dbraw/zinc/59/75/40/1370597540.db2.gz SOPRFFVLQVEKTB-GOSISDBHSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115596827 1370598028 /nfs/dbraw/zinc/59/80/28/1370598028.db2.gz XRGBRKPSFOSMKV-KRWDZBQOSA-N 2 0 349.544 3.141 20 0 EGADRP Cc1nc2ccc(-c3ccccc3)cn2c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205052732 1370638390 /nfs/dbraw/zinc/63/83/90/1370638390.db2.gz AYZXLONFCYFDGL-UHFFFAOYSA-N 2 0 334.467 3.480 20 0 EGADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115697929 1370679486 /nfs/dbraw/zinc/67/94/86/1370679486.db2.gz OAIGTLPIQYOHND-UHFFFAOYSA-N 2 0 337.552 3.317 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC1 ZINC001205248476 1370694587 /nfs/dbraw/zinc/69/45/87/1370694587.db2.gz QBSQTJDSPGIUMK-IBGZPJMESA-N 2 0 345.874 3.078 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC1 ZINC001205248477 1370694792 /nfs/dbraw/zinc/69/47/92/1370694792.db2.gz QBSQTJDSPGIUMK-LJQANCHMSA-N 2 0 345.874 3.078 20 0 EGADRP C[NH+](C)CCCOc1ccc(-c2cccc(OCC[NH+](C)C)c2)cn1 ZINC001205249734 1370695724 /nfs/dbraw/zinc/69/57/24/1370695724.db2.gz YNMZGMXIAHVGIK-UHFFFAOYSA-N 2 0 343.471 3.020 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCCC1)[NH+](CC)CC ZINC001115726537 1370707508 /nfs/dbraw/zinc/70/75/08/1370707508.db2.gz HJVAAAURSFZMAQ-DLBZAZTESA-N 2 0 343.531 3.264 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+]CC(C)C)CCCCC1)[NH+](CC)CC ZINC001115726870 1370707751 /nfs/dbraw/zinc/70/77/51/1370707751.db2.gz WGZPOCGDXMUJQA-QGZVFWFLSA-N 2 0 325.541 3.172 20 0 EGADRP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288519 1370707922 /nfs/dbraw/zinc/70/79/22/1370707922.db2.gz KTFVQVULAPPACJ-HXUWFJFHSA-N 2 0 343.471 3.356 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]CCCC(C)C)CCCCC1)[NH+](C)C ZINC001115734272 1370716978 /nfs/dbraw/zinc/71/69/78/1370716978.db2.gz FUFCAICJTPTTID-KRWDZBQOSA-N 2 0 325.541 3.172 20 0 EGADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1)[NH+](C)C ZINC001115734635 1370717341 /nfs/dbraw/zinc/71/73/41/1370717341.db2.gz WXNHMKODARWXPT-SFHVURJKSA-N 2 0 349.494 3.075 20 0 EGADRP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115769034 1370753175 /nfs/dbraw/zinc/75/31/75/1370753175.db2.gz SLJMISLMBZSHCI-ZWKOTPCHSA-N 2 0 335.536 3.212 20 0 EGADRP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461522 1370762918 /nfs/dbraw/zinc/76/29/18/1370762918.db2.gz LZEVLZLPIHFXHJ-XLIONFOSSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462150 1370763531 /nfs/dbraw/zinc/76/35/31/1370763531.db2.gz UBBUHZNONPUVEI-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205518741 1370778363 /nfs/dbraw/zinc/77/83/63/1370778363.db2.gz JLOUPPQGEDKAHV-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001205558206 1370791190 /nfs/dbraw/zinc/79/11/90/1370791190.db2.gz CUCQANYVJSUCIH-CQSZACIVSA-N 2 0 333.220 3.241 20 0 EGADRP Fc1c(C[NH+]2CCCC2)cccc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205600612 1370806326 /nfs/dbraw/zinc/80/63/26/1370806326.db2.gz PJWJEPWEOMYAPW-UHFFFAOYSA-N 2 0 339.458 3.498 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205615808 1370811951 /nfs/dbraw/zinc/81/19/51/1370811951.db2.gz BEWRIPVXNSTIQC-WCQYABFASA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c(C(F)(F)F)nc3sccn23)CC[C@H]1C[NH3+] ZINC001205625218 1370816066 /nfs/dbraw/zinc/81/60/66/1370816066.db2.gz ACCYLEQZFQFSTP-MNOVXSKESA-N 2 0 346.422 3.221 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccn2)CC[C@@H]1C[NH3+] ZINC001205637818 1370821339 /nfs/dbraw/zinc/82/13/39/1370821339.db2.gz IZINTUFJFUSUJX-PKOBYXMFSA-N 2 0 339.483 3.467 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC[C@@H]1C[NH3+] ZINC001205652680 1370828162 /nfs/dbraw/zinc/82/81/62/1370828162.db2.gz QQBCYVDWPCRXTP-NXEZZACHSA-N 2 0 342.274 3.023 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cn2)CC[C@@H]1C[NH3+] ZINC001205653777 1370830190 /nfs/dbraw/zinc/83/01/90/1370830190.db2.gz VKUQMKLILQEIRA-IEBWSBKVSA-N 2 0 339.483 3.467 20 0 EGADRP CCCC[NH2+]CC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC001205782620 1370867770 /nfs/dbraw/zinc/86/77/70/1370867770.db2.gz HMISHVGNLYNRNJ-UHFFFAOYSA-N 2 0 340.471 3.114 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205854830 1370893384 /nfs/dbraw/zinc/89/33/84/1370893384.db2.gz YTXMDPVHBUQBNL-VOTSOKGWSA-N 2 0 349.563 3.435 20 0 EGADRP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n(C)n1 ZINC001205940983 1370919429 /nfs/dbraw/zinc/91/94/29/1370919429.db2.gz GVCZHCKWPRIHNW-WOJBJXKFSA-N 2 0 338.499 3.073 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1OC(F)(F)F ZINC001206011499 1370937839 /nfs/dbraw/zinc/93/78/39/1370937839.db2.gz CVSJXKOKGROQST-OCCSQVGLSA-N 2 0 346.393 3.401 20 0 EGADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC001206012620 1370938353 /nfs/dbraw/zinc/93/83/53/1370938353.db2.gz MZXHAMZOCOLECG-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206022254 1370940988 /nfs/dbraw/zinc/94/09/88/1370940988.db2.gz BQIAIVUZRLYJHV-TZMCWYRMSA-N 2 0 341.293 3.265 20 0 EGADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)cc21 ZINC001206027945 1370942152 /nfs/dbraw/zinc/94/21/52/1370942152.db2.gz XJWFAFLYYVUJHY-QFBILLFUSA-N 3 0 327.516 3.495 20 0 EGADRP C[C@H]([NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001206073937 1370954718 /nfs/dbraw/zinc/95/47/18/1370954718.db2.gz JKTJKRUVLMORGG-INIZCTEOSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001206301016 1371015097 /nfs/dbraw/zinc/01/50/97/1371015097.db2.gz IMQNPDDSXFWJSM-IBGZPJMESA-N 2 0 335.536 3.045 20 0 EGADRP C[NH+](C)Cc1ccc(-c2noc(C3(CC4CC4)CC[NH2+]CC3)n2)cc1 ZINC001206324095 1371022293 /nfs/dbraw/zinc/02/22/93/1371022293.db2.gz LOSNPRVUBKWZKP-UHFFFAOYSA-N 2 0 340.471 3.220 20 0 EGADRP CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482691 1371068347 /nfs/dbraw/zinc/06/83/47/1371068347.db2.gz XQEIKMXYJBHCNX-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+]1CCC(CC(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)CC1 ZINC001206488058 1371069938 /nfs/dbraw/zinc/06/99/38/1371069938.db2.gz OOEMSPBRSZOGOS-UHFFFAOYSA-N 2 0 349.563 3.127 20 0 EGADRP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206548883 1371090426 /nfs/dbraw/zinc/09/04/26/1371090426.db2.gz RUEWYRNRNDKXHU-RBUKOAKNSA-N 2 0 335.536 3.022 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001206606169 1371107786 /nfs/dbraw/zinc/10/77/86/1371107786.db2.gz GHHQPFADCVQUMC-HNNXBMFYSA-N 2 0 325.294 3.443 20 0 EGADRP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632211 1371114243 /nfs/dbraw/zinc/11/42/43/1371114243.db2.gz HDRHPNXHFKJQSZ-GFCCVEGCSA-N 2 0 332.366 3.155 20 0 EGADRP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001206649250 1371119692 /nfs/dbraw/zinc/11/96/92/1371119692.db2.gz RULAVGXMQRVDDZ-MRXNPFEDSA-N 2 0 325.456 3.318 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(F)c1 ZINC001206749563 1371152697 /nfs/dbraw/zinc/15/26/97/1371152697.db2.gz GZRKIPGTFMEFPE-UHFFFAOYSA-N 2 0 328.431 3.327 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001206755800 1371154564 /nfs/dbraw/zinc/15/45/64/1371154564.db2.gz QRBDLSRCZKWJNZ-UHFFFAOYSA-N 2 0 347.462 3.433 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001206890532 1371210050 /nfs/dbraw/zinc/21/00/50/1371210050.db2.gz WLWDKGFJUFKPJC-MRXNPFEDSA-N 2 0 349.494 3.057 20 0 EGADRP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947626 1371240036 /nfs/dbraw/zinc/24/00/36/1371240036.db2.gz CJYPITPYZZLLBM-SMJNTDKHSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948094 1371240523 /nfs/dbraw/zinc/24/05/23/1371240523.db2.gz UQHLVGXZBUHKOK-HDICACEKSA-N 2 0 337.552 3.124 20 0 EGADRP O=c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH]1 ZINC001118991603 1371262783 /nfs/dbraw/zinc/26/27/83/1371262783.db2.gz ZZAGWHZOMGSBSQ-IHWFROFDSA-N 2 0 337.467 3.463 20 0 EGADRP CCc1nccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)n1 ZINC001207092696 1371291654 /nfs/dbraw/zinc/29/16/54/1371291654.db2.gz OFGJAOBTGQVVMV-UHFFFAOYSA-N 2 0 336.483 3.137 20 0 EGADRP CC[NH+](CC)CCN1CC[NH+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207175806 1371322032 /nfs/dbraw/zinc/32/20/32/1371322032.db2.gz CVYOJRQXAJGPKZ-AZUAARDMSA-N 2 0 349.950 3.403 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CCCC2(C[NH+](Cc3ccccc3)C2)C1 ZINC001207284130 1371350744 /nfs/dbraw/zinc/35/07/44/1371350744.db2.gz JSIYBOVFSGSLIA-UHFFFAOYSA-N 2 0 329.532 3.172 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001207288857 1371351913 /nfs/dbraw/zinc/35/19/13/1371351913.db2.gz WJIXRJIFNAONIG-UHFFFAOYSA-N 2 0 335.511 3.310 20 0 EGADRP O=C1CCC2(CC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)CC2)O1 ZINC001207292111 1371352607 /nfs/dbraw/zinc/35/26/07/1371352607.db2.gz JPZZHBPWPDQZCI-UHFFFAOYSA-N 2 0 342.483 3.070 20 0 EGADRP CC[N@H+](CCn1cccn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292329 1371352665 /nfs/dbraw/zinc/35/26/65/1371352665.db2.gz NTXBRHDRCGLFIT-UHFFFAOYSA-N 2 0 326.488 3.117 20 0 EGADRP CC(C)C[NH+]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207289259 1371353101 /nfs/dbraw/zinc/35/31/01/1371353101.db2.gz IXLJZFXRBAYZSN-UHFFFAOYSA-N 2 0 329.532 3.172 20 0 EGADRP C[C@H](c1ccccc1)[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CN2CCC1CC2 ZINC001207399138 1371384499 /nfs/dbraw/zinc/38/44/99/1371384499.db2.gz COLRNOQHXMXTTJ-XMSQKQJNSA-N 2 0 341.543 3.486 20 0 EGADRP CC[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207399710 1371384985 /nfs/dbraw/zinc/38/49/85/1371384985.db2.gz RPKZPVDOBDNGNW-KRWDZBQOSA-N 2 0 339.524 3.050 20 0 EGADRP CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@@H+]1CC1CC[NH2+]CC1 ZINC001207441714 1371396953 /nfs/dbraw/zinc/39/69/53/1371396953.db2.gz LGNSQVNVPPFDQI-RTBURBONSA-N 2 0 330.472 3.145 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001207479013 1371408418 /nfs/dbraw/zinc/40/84/18/1371408418.db2.gz AREPZQFKBFWSPK-RBUKOAKNSA-N 2 0 329.532 3.313 20 0 EGADRP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001207486671 1371410751 /nfs/dbraw/zinc/41/07/51/1371410751.db2.gz AOHUWZLZYJMSJC-INIZCTEOSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001207486059 1371411009 /nfs/dbraw/zinc/41/10/09/1371411009.db2.gz CRSGNXKUPLMACG-KRWDZBQOSA-N 2 0 339.524 3.098 20 0 EGADRP C[NH+](C)CCN(CC[NH+](C)C)CC(c1ccccc1)c1ccccc1 ZINC001207524748 1371425566 /nfs/dbraw/zinc/42/55/66/1371425566.db2.gz NGYPKTVHIHTIAF-UHFFFAOYSA-N 2 0 339.527 3.244 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3N3CCCC3)C[C@H]2C1 ZINC001119987919 1371442792 /nfs/dbraw/zinc/44/27/92/1371442792.db2.gz CNMALJMTWYPXEU-MISYRCLQSA-N 2 0 327.516 3.449 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617089 1371453208 /nfs/dbraw/zinc/45/32/08/1371453208.db2.gz MPZOISDXZAPAEZ-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120188678 1371502301 /nfs/dbraw/zinc/50/23/01/1371502301.db2.gz BBORBPJQSCZKBW-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190636 1371503311 /nfs/dbraw/zinc/50/33/11/1371503311.db2.gz XGHFXOYZNTYZPL-HDICACEKSA-N 2 0 337.552 3.314 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120189738 1371503339 /nfs/dbraw/zinc/50/33/39/1371503339.db2.gz QKHSISBPHDSKMK-GOSISDBHSA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190642 1371503467 /nfs/dbraw/zinc/50/34/67/1371503467.db2.gz XGHFXOYZNTYZPL-ROUUACIJSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)[NH+]1CCCCC1 ZINC001120208214 1371505006 /nfs/dbraw/zinc/50/50/06/1371505006.db2.gz VTZZAAQDTWIWJI-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001207868310 1371525663 /nfs/dbraw/zinc/52/56/63/1371525663.db2.gz RAFOFSKQIPFNGJ-CRAIPNDOSA-N 2 0 342.487 3.211 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120365614 1371550350 /nfs/dbraw/zinc/55/03/50/1371550350.db2.gz UKWLQRUBVHQPHK-QZTJIDSGSA-N 2 0 346.519 3.236 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391845 1371559494 /nfs/dbraw/zinc/55/94/94/1371559494.db2.gz HWXMVRBSWZHZHW-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988864 1371560862 /nfs/dbraw/zinc/56/08/62/1371560862.db2.gz ZITACYYTIQCDJV-FRQCXROJSA-N 2 0 342.487 3.067 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431258 1371574262 /nfs/dbraw/zinc/57/42/62/1371574262.db2.gz QXJPJPJTTGSAHV-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430541 1371574541 /nfs/dbraw/zinc/57/45/41/1371574541.db2.gz LOWXWMHKKMEJMQ-NHQAVIFJSA-N 2 0 349.563 3.388 20 0 EGADRP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049743 1371580595 /nfs/dbraw/zinc/58/05/95/1371580595.db2.gz QMMJIQYQKZQLFO-RTBURBONSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120450625 1371581649 /nfs/dbraw/zinc/58/16/49/1371581649.db2.gz XIZKKISLVAEDBZ-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CC1(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC001208078502 1371589529 /nfs/dbraw/zinc/58/95/29/1371589529.db2.gz NTMPDKZMRBRQLB-UXHICEINSA-N 2 0 328.500 3.257 20 0 EGADRP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001208114129 1371600119 /nfs/dbraw/zinc/60/01/19/1371600119.db2.gz RXDAUVKGWZHYBM-ULQDDVLXSA-N 2 0 336.520 3.161 20 0 EGADRP CC/C=C\CCC[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001208135231 1371606464 /nfs/dbraw/zinc/60/64/64/1371606464.db2.gz CZTZOSNEDPYIRI-FPLPWBNLSA-N 2 0 346.519 3.037 20 0 EGADRP Cc1cccnc1O[C@@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208187793 1371625276 /nfs/dbraw/zinc/62/52/76/1371625276.db2.gz AEBXKIOMVQOLQF-GOSISDBHSA-N 2 0 331.504 3.355 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208279355 1371694716 /nfs/dbraw/zinc/69/47/16/1371694716.db2.gz ODXPHYGHKQMDAS-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001208330649 1371720242 /nfs/dbraw/zinc/72/02/42/1371720242.db2.gz BNSVPZPKMUFSKQ-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475359 1371781830 /nfs/dbraw/zinc/78/18/30/1371781830.db2.gz TVHNREVCOVSPHG-HEVSSNLLSA-N 2 0 349.563 3.434 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475361 1371782152 /nfs/dbraw/zinc/78/21/52/1371782152.db2.gz TVHNREVCOVSPHG-NHQAVIFJSA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001208595433 1371833854 /nfs/dbraw/zinc/83/38/54/1371833854.db2.gz SMWVDFUIANVDSM-LJQANCHMSA-N 2 0 339.524 3.098 20 0 EGADRP CC[NH+]1CCC(C[N@H+](C[C@@H](O)c2ccccc2OC)C(C)C)CC1 ZINC001208601247 1371835792 /nfs/dbraw/zinc/83/57/92/1371835792.db2.gz LLDJXCADQUMXJV-LJQANCHMSA-N 2 0 334.504 3.171 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)CC1 ZINC001208600388 1371836408 /nfs/dbraw/zinc/83/64/08/1371836408.db2.gz QGRQVMIJNFQSFT-SFHVURJKSA-N 2 0 332.488 3.270 20 0 EGADRP CCN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208608238 1371838624 /nfs/dbraw/zinc/83/86/24/1371838624.db2.gz PFPUYELYWVJYGA-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC001208612034 1371839310 /nfs/dbraw/zinc/83/93/10/1371839310.db2.gz ABKVHLWDDIAIJI-FQEVSTJZSA-N 2 0 337.511 3.299 20 0 EGADRP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121103065 1371855064 /nfs/dbraw/zinc/85/50/64/1371855064.db2.gz QKDUAOKJVISZDE-MBEFBZSESA-N 2 0 349.563 3.312 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121103272 1371855199 /nfs/dbraw/zinc/85/51/99/1371855199.db2.gz UBNVVLSSMYSSJK-GEUNIFFNSA-N 2 0 349.563 3.312 20 0 EGADRP C[C@H](CN(CC[NH+](C)C)CC[NH+](C)C)c1cccc2ccccc21 ZINC001208718303 1371872716 /nfs/dbraw/zinc/87/27/16/1371872716.db2.gz QFUMQICGTQNXAA-GOSISDBHSA-N 2 0 327.516 3.369 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208748760 1371883944 /nfs/dbraw/zinc/88/39/44/1371883944.db2.gz LIQKNPQPZBLEBV-ZMBJWTFHSA-N 2 0 349.563 3.435 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001121289580 1371923138 /nfs/dbraw/zinc/92/31/38/1371923138.db2.gz YQBPKQJIBKWWOA-FAFJLIIVSA-N 2 0 347.547 3.066 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@@H](C)C(F)(F)F ZINC001208904990 1371939136 /nfs/dbraw/zinc/93/91/36/1371939136.db2.gz KXLBDGKXCOMIFW-OAHLLOKOSA-N 2 0 325.463 3.170 20 0 EGADRP CCC[NH+](CCC)CCCN1CC[NH+](CC(C)(C)C(=O)CC)CC1 ZINC001208921861 1371946480 /nfs/dbraw/zinc/94/64/80/1371946480.db2.gz JHJLYZZCUVWNAO-UHFFFAOYSA-N 2 0 339.568 3.121 20 0 EGADRP COC(=O)CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208933749 1371952496 /nfs/dbraw/zinc/95/24/96/1371952496.db2.gz GOQMQCYFIIILJR-FQEVSTJZSA-N 2 0 344.499 3.174 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](CN3CCC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC001208938084 1371954357 /nfs/dbraw/zinc/95/43/57/1371954357.db2.gz WUNNNDNWHHAMTN-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP COC(=O)[C@@H]1C[C@@H](C)C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939799 1371955205 /nfs/dbraw/zinc/95/52/05/1371955205.db2.gz JFEOHIWDQJHCGA-YZGWKJHDSA-N 2 0 344.499 3.030 20 0 EGADRP C[N@H+](C1CC1)C1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208942932 1371956871 /nfs/dbraw/zinc/95/68/71/1371956871.db2.gz KCPFTVQEIUTXKP-FQEVSTJZSA-N 2 0 341.543 3.457 20 0 EGADRP F[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208952978 1371960486 /nfs/dbraw/zinc/96/04/86/1371960486.db2.gz NBLOXYPGPLVBIA-OALUTQOASA-N 2 0 332.463 3.102 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC001208949984 1371960653 /nfs/dbraw/zinc/96/06/53/1371960653.db2.gz ZREDQVWLNWBUSH-OAQYLSRUSA-N 2 0 341.543 3.459 20 0 EGADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1Cc2ccccc2O1 ZINC001208961566 1371961635 /nfs/dbraw/zinc/96/16/35/1371961635.db2.gz GPDVPNWELFKIGZ-TZIWHRDSSA-N 2 0 336.479 3.444 20 0 EGADRP CCOC(=O)[C@H]1CC[C@H](C[N@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001209002566 1371971165 /nfs/dbraw/zinc/97/11/65/1371971165.db2.gz SDWJDGNCPRYTAS-UAPYVXQJSA-N 2 0 338.536 3.408 20 0 EGADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1CCC2(CC1)OCCO2 ZINC001209105597 1371998408 /nfs/dbraw/zinc/99/84/08/1371998408.db2.gz QYFKSYVQIQVIED-OALUTQOASA-N 2 0 336.520 3.259 20 0 EGADRP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209133578 1372009920 /nfs/dbraw/zinc/00/99/20/1372009920.db2.gz HNQRTBNVAZERBO-GUDVDZBRSA-N 2 0 337.552 3.268 20 0 EGADRP CC(=O)OC(C)(C)CCC[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001209152212 1372016572 /nfs/dbraw/zinc/01/65/72/1372016572.db2.gz OVBWDFFJKWHMSU-UHFFFAOYSA-N 2 0 336.520 3.449 20 0 EGADRP CC(=O)OC(C)(C)CCC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209155430 1372016833 /nfs/dbraw/zinc/01/68/33/1372016833.db2.gz LJLLNUSQCQFIKF-UHFFFAOYSA-N 2 0 328.472 3.007 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209204726 1372037727 /nfs/dbraw/zinc/03/77/27/1372037727.db2.gz KRJCBIORQMNZKN-OBNUAKFSSA-N 2 0 335.536 3.045 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001209325342 1372069688 /nfs/dbraw/zinc/06/96/88/1372069688.db2.gz ZAXZTLAUHRBPRF-RBUKOAKNSA-N 2 0 345.531 3.287 20 0 EGADRP CC(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001209324272 1372070116 /nfs/dbraw/zinc/07/01/16/1372070116.db2.gz PEQDEOFPLUJREW-HXUWFJFHSA-N 2 0 345.531 3.232 20 0 EGADRP C[NH+](C)CC1CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209357942 1372077149 /nfs/dbraw/zinc/07/71/49/1372077149.db2.gz RURGSOXTQJPFNW-UHFFFAOYSA-N 2 0 341.540 3.345 20 0 EGADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209414383 1372099352 /nfs/dbraw/zinc/09/93/52/1372099352.db2.gz LVQOJIFOTUWLTQ-OTNPHJDUSA-N 2 0 332.532 3.103 20 0 EGADRP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC001121848925 1372100903 /nfs/dbraw/zinc/10/09/03/1372100903.db2.gz SYELGQCGWMNDRH-OZXNKQPKSA-N 2 0 344.503 3.208 20 0 EGADRP CC[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209449818 1372108998 /nfs/dbraw/zinc/10/89/98/1372108998.db2.gz AFTIQRPSJGPVGN-QGZVFWFLSA-N 2 0 339.524 3.194 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001121895279 1372116774 /nfs/dbraw/zinc/11/67/74/1372116774.db2.gz DLAOSVXHWJHJEF-GRFHQPFKSA-N 2 0 347.547 3.066 20 0 EGADRP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001209565933 1372138532 /nfs/dbraw/zinc/13/85/32/1372138532.db2.gz ICYOOSUQSJFTAG-HLKZIGTNSA-N 2 0 337.552 3.291 20 0 EGADRP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)[nH]1 ZINC001209570928 1372139609 /nfs/dbraw/zinc/13/96/09/1372139609.db2.gz DVDYVJPXGGAGAR-UHFFFAOYSA-N 2 0 339.483 3.190 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001209634375 1372157502 /nfs/dbraw/zinc/15/75/02/1372157502.db2.gz DNWYKVKAWFMQKY-YLJYHZDGSA-N 2 0 345.531 3.088 20 0 EGADRP COc1cc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)ccn1 ZINC001209640747 1372158664 /nfs/dbraw/zinc/15/86/64/1372158664.db2.gz JKOJZQOIAHJZBB-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001122039730 1372159343 /nfs/dbraw/zinc/15/93/43/1372159343.db2.gz PUZOXEOPIKYZHS-MBEFBZSESA-N 2 0 349.563 3.458 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCC)C2)C1 ZINC001122107052 1372175997 /nfs/dbraw/zinc/17/59/97/1372175997.db2.gz YQDCPKPKKSZBQE-FPLPWBNLSA-N 2 0 335.536 3.092 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCC)C2)C1 ZINC001122107051 1372176206 /nfs/dbraw/zinc/17/62/06/1372176206.db2.gz YQDCPKPKKSZBQE-BQYQJAHWSA-N 2 0 335.536 3.092 20 0 EGADRP C[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001209939724 1372237747 /nfs/dbraw/zinc/23/77/47/1372237747.db2.gz GQCYEJCPBBRBOM-UYAOXDASSA-N 2 0 349.563 3.412 20 0 EGADRP COc1cccc(CC[NH+]2CCCC2)c1Nc1c[nH+]c(N)cc1C ZINC001209968143 1372243535 /nfs/dbraw/zinc/24/35/35/1372243535.db2.gz WCIKNAARCVFGRR-UHFFFAOYSA-N 2 0 326.444 3.363 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC)C[C@H]1C ZINC001210236296 1372300974 /nfs/dbraw/zinc/30/09/74/1372300974.db2.gz LVOILGRCSMZAPO-IPMKNSEASA-N 2 0 339.568 3.371 20 0 EGADRP Clc1ccc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cnc2c1 ZINC001210262877 1372308753 /nfs/dbraw/zinc/30/87/53/1372308753.db2.gz NQAOMOHFZFXEDQ-UHFFFAOYSA-N 2 0 339.830 3.436 20 0 EGADRP c1ccc(C[C@H]2CN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001210266802 1372310155 /nfs/dbraw/zinc/31/01/55/1372310155.db2.gz JVLSFGWYTRLKFV-GOTSBHOMSA-N 2 0 349.522 3.025 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001210281990 1372313645 /nfs/dbraw/zinc/31/36/45/1372313645.db2.gz ASDHANCLSXKEGK-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP C[NH+]1CCC(n2cc(NC3=CC[C@H]([NH+]4CCCC4)CC3)cn2)CC1 ZINC001210706869 1372410525 /nfs/dbraw/zinc/41/05/25/1372410525.db2.gz QZOOPXCTLUXJRI-SFHVURJKSA-N 2 0 329.492 3.094 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210744411 1372417725 /nfs/dbraw/zinc/41/77/25/1372417725.db2.gz POCROPIKCPQWDY-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001210788365 1372426712 /nfs/dbraw/zinc/42/67/12/1372426712.db2.gz CDKOMLSTURMJJK-ACBHZAAOSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210810624 1372430904 /nfs/dbraw/zinc/43/09/04/1372430904.db2.gz BGOUQCLAMQQRJM-LJQANCHMSA-N 2 0 345.531 3.232 20 0 EGADRP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211127124 1372487990 /nfs/dbraw/zinc/48/79/90/1372487990.db2.gz ZWTHYUNPJPEKDQ-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001211240967 1372510183 /nfs/dbraw/zinc/51/01/83/1372510183.db2.gz PXDIIHIFGYROHQ-UYAOXDASSA-N 2 0 343.515 3.204 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001211262307 1372514992 /nfs/dbraw/zinc/51/49/92/1372514992.db2.gz NYWJRBUNRIGMMM-PMACEKPBSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262290 1372515371 /nfs/dbraw/zinc/51/53/71/1372515371.db2.gz NKNAFMMEXWEWHD-MOPGFXCFSA-N 2 0 337.552 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343772 1372536394 /nfs/dbraw/zinc/53/63/94/1372536394.db2.gz LLYCIHJVVNUCLD-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343631 1372536670 /nfs/dbraw/zinc/53/66/70/1372536670.db2.gz CWXFSUYXAPYCJF-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cccc(F)c2C(F)(F)F)no1 ZINC001212336234 1372689050 /nfs/dbraw/zinc/68/90/50/1372689050.db2.gz WLTZTHZAWZGCML-AWEZNQCLSA-N 2 0 346.328 3.197 20 0 EGADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cc(Cl)c(F)c(Cl)c2)no1 ZINC001212338655 1372690651 /nfs/dbraw/zinc/69/06/51/1372690651.db2.gz PXAPDHSZSDLANB-AWEZNQCLSA-N 2 0 347.221 3.485 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)c1 ZINC001188085010 1388239513 /nfs/dbraw/zinc/23/95/13/1388239513.db2.gz LWSMDJIOFNHLRM-LJQANCHMSA-N 2 0 345.531 3.379 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214634283 1373092695 /nfs/dbraw/zinc/09/26/95/1373092695.db2.gz IBRFTEXRFDYGGZ-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214755282 1373115533 /nfs/dbraw/zinc/11/55/33/1373115533.db2.gz YQXUCXNCVJJGDB-IKJDWHLJSA-N 2 0 349.544 3.216 20 0 EGADRP O=C(NCC[NH2+]CC1CCCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356833 1373118995 /nfs/dbraw/zinc/11/89/95/1373118995.db2.gz OUIWGJBGQGKLIP-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001214889545 1373136766 /nfs/dbraw/zinc/13/67/66/1373136766.db2.gz MHZZHKXLEPEUQT-FGTMMUONSA-N 2 0 337.552 3.124 20 0 EGADRP COc1cc(C)cc(F)c1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001215708133 1373233600 /nfs/dbraw/zinc/23/36/00/1373233600.db2.gz ROWQPFYEZQTICA-UHFFFAOYSA-N 2 0 330.407 3.033 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215774494 1373236199 /nfs/dbraw/zinc/23/61/99/1373236199.db2.gz QJKDBZPDRKYSQS-ZIFCJYIRSA-N 2 0 337.552 3.124 20 0 EGADRP CSc1ncc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC001215828089 1373243673 /nfs/dbraw/zinc/24/36/73/1373243673.db2.gz YBEDBOZSMMFSPK-UHFFFAOYSA-N 2 0 329.473 3.002 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001216348262 1373304174 /nfs/dbraw/zinc/30/41/74/1373304174.db2.gz JCCBDJQOQNVBQW-FGTMMUONSA-N 2 0 343.531 3.073 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129416491 1373381879 /nfs/dbraw/zinc/38/18/79/1373381879.db2.gz IGPAOXJIXNLBSP-ROUUACIJSA-N 2 0 331.504 3.025 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429522 1373383189 /nfs/dbraw/zinc/38/31/89/1373383189.db2.gz HMXUKLPHVRJHPI-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001130187421 1373471530 /nfs/dbraw/zinc/47/15/30/1373471530.db2.gz UVFUGHBYDIZWKC-UXHICEINSA-N 2 0 343.515 3.033 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001130200678 1373474062 /nfs/dbraw/zinc/47/40/62/1373474062.db2.gz NMKXIYHEZREUFS-XHDPSFHLSA-N 2 0 346.302 3.100 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001130306312 1373488426 /nfs/dbraw/zinc/48/84/26/1373488426.db2.gz VKGZMMKALBMMOM-OXJNMPFZSA-N 2 0 339.483 3.091 20 0 EGADRP CC(C)(C)c1ccc(-c2nnc([C@@H]3C[NH2+]CC34CC[NH2+]CC4)o2)cc1 ZINC001217705916 1373491418 /nfs/dbraw/zinc/49/14/18/1373491418.db2.gz PMLJPFFXRCXZJU-INIZCTEOSA-N 2 0 340.471 3.091 20 0 EGADRP C[NH2+][C@H]1C[C@H](Oc2ccc(C[NH+]3CCCCC3)c3cccnc23)C1 ZINC001217949940 1373516775 /nfs/dbraw/zinc/51/67/75/1373516775.db2.gz BOWKUAFQDINQPM-QAQDUYKDSA-N 2 0 325.456 3.350 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC001130622416 1373570455 /nfs/dbraw/zinc/57/04/55/1373570455.db2.gz HPYHFMHJZPTUCH-KRWDZBQOSA-N 2 0 345.531 3.415 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130618070 1373571236 /nfs/dbraw/zinc/57/12/36/1373571236.db2.gz RRFJBTZDMYXIBV-QGZVFWFLSA-N 2 0 345.531 3.415 20 0 EGADRP CC(C)(C)C1CCC(C[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001130809846 1373593695 /nfs/dbraw/zinc/59/36/95/1373593695.db2.gz JCMLLFLDOFFQNT-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188245788 1388274531 /nfs/dbraw/zinc/27/45/31/1388274531.db2.gz AXHCZCXAMRNEQS-CSSZIBPHSA-N 2 0 347.547 3.140 20 0 EGADRP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001218997706 1373676841 /nfs/dbraw/zinc/67/68/41/1373676841.db2.gz WDMWFMAGGTYAKX-AQNXPRMDSA-N 2 0 349.478 3.095 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222071974 1373815715 /nfs/dbraw/zinc/81/57/15/1373815715.db2.gz FGXXLHYGLDDJQI-IRXDYDNUSA-N 2 0 349.519 3.362 20 0 EGADRP c1ncn(-c2cccc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c2)n1 ZINC001222173320 1373819374 /nfs/dbraw/zinc/81/93/74/1373819374.db2.gz TUUWKNMKCNXGNZ-FQEVSTJZSA-N 2 0 339.487 3.013 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C2)o1 ZINC001188326122 1388290633 /nfs/dbraw/zinc/29/06/33/1388290633.db2.gz VHJMNQOHRSUYKM-MRXNPFEDSA-N 2 0 349.519 3.362 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132123909 1375158493 /nfs/dbraw/zinc/15/84/93/1375158493.db2.gz LHVHTYFBUAWAEE-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C[N@@H+]1CCCCCF ZINC001132132430 1375163104 /nfs/dbraw/zinc/16/31/04/1375163104.db2.gz QVEKBSQGOHQYOU-ZBFHGGJFSA-N 2 0 346.450 3.285 20 0 EGADRP CC(C)C[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202189 1375205587 /nfs/dbraw/zinc/20/55/87/1375205587.db2.gz DPLQCUXBAHUQPH-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132203347 1375207295 /nfs/dbraw/zinc/20/72/95/1375207295.db2.gz ORSAMPFBPSXWJE-ZWKOTPCHSA-N 2 0 337.552 3.268 20 0 EGADRP CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207845 1375210164 /nfs/dbraw/zinc/21/01/64/1375210164.db2.gz XSPASZDSZLUYBO-ROUUACIJSA-N 2 0 337.552 3.410 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001132273844 1375259972 /nfs/dbraw/zinc/25/99/72/1375259972.db2.gz KVCRBWMZSBBRLM-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315778 1375292263 /nfs/dbraw/zinc/29/22/63/1375292263.db2.gz VRQVNHYHWINMDN-JNVNVXKGSA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CCC[C@@H](Oc2ccc3c(n2)CCN(Cc2ccccc2)C3)C1 ZINC001226743082 1375323164 /nfs/dbraw/zinc/32/31/64/1375323164.db2.gz MXAOZZXAOYGMFO-LJQANCHMSA-N 2 0 337.467 3.113 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226766679 1375329487 /nfs/dbraw/zinc/32/94/87/1375329487.db2.gz NGLNPDZCBMAUCL-WDCWKCJDSA-N 2 0 341.927 3.019 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132410705 1375360622 /nfs/dbraw/zinc/36/06/22/1375360622.db2.gz NADOOFHAKUFQJX-OALUTQOASA-N 2 0 345.531 3.114 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCF)C1 ZINC001132419973 1375369429 /nfs/dbraw/zinc/36/94/29/1375369429.db2.gz KZVXYOUXVINKPL-ZWKOTPCHSA-N 2 0 343.531 3.217 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132435334 1375380422 /nfs/dbraw/zinc/38/04/22/1375380422.db2.gz BUHJTYCIBSRMAJ-SJLPKXTDSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132436099 1375380879 /nfs/dbraw/zinc/38/08/79/1375380879.db2.gz IQQLGVVWYLABRK-ROUUACIJSA-N 2 0 325.541 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132442305 1375386628 /nfs/dbraw/zinc/38/66/28/1375386628.db2.gz ZBARESCDDJQTIK-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227483518 1375436552 /nfs/dbraw/zinc/43/65/52/1375436552.db2.gz OZIWFPVHTKOLFM-ZTFGCOKTSA-N 2 0 328.460 3.011 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519478 1375437511 /nfs/dbraw/zinc/43/75/11/1375437511.db2.gz ZLWQBGZMWRKQDA-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548990 1375455155 /nfs/dbraw/zinc/45/51/55/1375455155.db2.gz MAICCVFXFOCNHR-MOPGFXCFSA-N 2 0 335.536 3.188 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@@H+]1CC1CCC1 ZINC001132549330 1375455656 /nfs/dbraw/zinc/45/56/56/1375455656.db2.gz QQFAFSKXAJYGDJ-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001132938671 1375659319 /nfs/dbraw/zinc/65/93/19/1375659319.db2.gz XXLYDPCQQMQPTG-ZWKOTPCHSA-N 2 0 339.568 3.227 20 0 EGADRP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132951289 1375667684 /nfs/dbraw/zinc/66/76/84/1375667684.db2.gz YORGHQUQADLZAS-MJGOQNOKSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133030924 1375724339 /nfs/dbraw/zinc/72/43/39/1375724339.db2.gz LQRLIYMFRNUFKZ-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC001133040491 1375730863 /nfs/dbraw/zinc/73/08/63/1375730863.db2.gz SYZBSVYILFGDPC-LBPRGKRZSA-N 2 0 346.302 3.102 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001229232318 1375791440 /nfs/dbraw/zinc/79/14/40/1375791440.db2.gz ZWYOWWCPDGNBEE-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001229287062 1375801596 /nfs/dbraw/zinc/80/15/96/1375801596.db2.gz IQMBKEGJNVULIT-BGEOSOQGSA-N 2 0 349.563 3.482 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001133237849 1375860257 /nfs/dbraw/zinc/86/02/57/1375860257.db2.gz KINQAOXWQSGEIU-MOPGFXCFSA-N 2 0 339.568 3.371 20 0 EGADRP CCCCCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133254172 1375871176 /nfs/dbraw/zinc/87/11/76/1375871176.db2.gz PGMVUFIFLCNAOW-OALUTQOASA-N 2 0 339.568 3.373 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)C1 ZINC001229692546 1375876864 /nfs/dbraw/zinc/87/68/64/1375876864.db2.gz JKEHTNLNXQFQLU-VAMGGRTRSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001133262847 1375879418 /nfs/dbraw/zinc/87/94/18/1375879418.db2.gz MQSPFADYJMDROS-MSOLQXFVSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC001229852496 1375903930 /nfs/dbraw/zinc/90/39/30/1375903930.db2.gz KCJVPDKVPYFMPZ-IPMKNSEASA-N 2 0 339.568 3.418 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133337433 1375930872 /nfs/dbraw/zinc/93/08/72/1375930872.db2.gz NPDFSTJWASCHLY-WEPWYQGCSA-N 2 0 349.563 3.293 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001230274979 1375979938 /nfs/dbraw/zinc/97/99/38/1375979938.db2.gz XDQNHWXJCHLCDL-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001230274639 1375980319 /nfs/dbraw/zinc/98/03/19/1375980319.db2.gz DETJNGXMAPDYNN-UWCDRFHNSA-N 2 0 335.536 3.234 20 0 EGADRP CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C(C)(C)[N@H+](C)CC ZINC001133399364 1375983837 /nfs/dbraw/zinc/98/38/37/1375983837.db2.gz KWDGLBXWPOVLGH-UHFFFAOYSA-N 2 0 339.911 3.008 20 0 EGADRP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)C(C)C ZINC001133410641 1375993653 /nfs/dbraw/zinc/99/36/53/1375993653.db2.gz SXSWQMAICGGDME-UHFFFAOYSA-N 2 0 339.911 3.008 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001230359596 1376008890 /nfs/dbraw/zinc/00/88/90/1376008890.db2.gz DZWIMKGDKVDHIE-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581170 1376084024 /nfs/dbraw/zinc/08/40/24/1376084024.db2.gz VXLDPFJDTCMNQZ-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598677 1376093886 /nfs/dbraw/zinc/09/38/86/1376093886.db2.gz WRTJLEGOEMFZNE-OALUTQOASA-N 2 0 337.552 3.220 20 0 EGADRP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)cc1 ZINC001133819760 1376218120 /nfs/dbraw/zinc/21/81/20/1376218120.db2.gz NOWBIVZRZLFJQE-IAGOWNOFSA-N 2 0 331.504 3.061 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001133856928 1376235870 /nfs/dbraw/zinc/23/58/70/1376235870.db2.gz WCVZCKCNCMGWGK-FXAWDEMLSA-N 2 0 349.494 3.056 20 0 EGADRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+]CC2CCCCCC2)cc1 ZINC001133893326 1376254233 /nfs/dbraw/zinc/25/42/33/1376254233.db2.gz CNXOEABFOKNNJO-UHFFFAOYSA-N 2 0 345.531 3.081 20 0 EGADRP Cc1csc2sc(C[NH+]3CCN(CC[NH+](C)C)CC3)c(C)c12 ZINC001231829196 1376324128 /nfs/dbraw/zinc/32/41/28/1376324128.db2.gz SPGVPLHCKFYGCS-UHFFFAOYSA-N 2 0 337.558 3.259 20 0 EGADRP Cc1csc2sc(C[N@H+](C)CCN3CC[NH+](C)CC3)c(C)c12 ZINC001231832001 1376324297 /nfs/dbraw/zinc/32/42/97/1376324297.db2.gz JHUSCFSSKPXYTM-UHFFFAOYSA-N 2 0 337.558 3.259 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015149 1376383297 /nfs/dbraw/zinc/38/32/97/1376383297.db2.gz BYBLQPQHMYASAH-DZGCQCFKSA-N 2 0 344.459 3.441 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)cc1 ZINC001232014243 1376383311 /nfs/dbraw/zinc/38/33/11/1376383311.db2.gz ZXGOMWBMNJYKNH-WOJBJXKFSA-N 2 0 346.478 3.435 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc(-c3cccnc3)o1)CC2 ZINC001232136714 1376405795 /nfs/dbraw/zinc/40/57/95/1376405795.db2.gz WUPBBUSYIVZYOU-UHFFFAOYSA-N 2 0 326.444 3.044 20 0 EGADRP C[C@@H]1CN(Cc2cc(F)cc(C[NH+](C)C)c2)CC[C@]1(O)C(F)(F)F ZINC001232144649 1376409375 /nfs/dbraw/zinc/40/93/75/1376409375.db2.gz MMXXQWXATDXGHL-MLGOLLRUSA-N 2 0 348.384 3.023 20 0 EGADRP Nc1ccc(F)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511805 1376472608 /nfs/dbraw/zinc/47/26/08/1376472608.db2.gz RZBVGMAQLGZHGW-HKUYNNGSSA-N 2 0 339.458 3.362 20 0 EGADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(-c3cccc(F)c3)nc1)CC2 ZINC001232890664 1376533893 /nfs/dbraw/zinc/53/38/93/1376533893.db2.gz ZVGVHILWNLIQSO-UHFFFAOYSA-N 2 0 325.431 3.415 20 0 EGADRP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)cc1C ZINC001327226153 1388452236 /nfs/dbraw/zinc/45/22/36/1388452236.db2.gz WSUHKKVERAFWBS-HXUWFJFHSA-N 2 0 345.531 3.068 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001134773076 1376713382 /nfs/dbraw/zinc/71/33/82/1376713382.db2.gz KNBWCFMPQJRNEI-ZWKOTPCHSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001134773473 1376713437 /nfs/dbraw/zinc/71/34/37/1376713437.db2.gz PLMPMQQAYSJBLV-DLBZAZTESA-N 2 0 337.552 3.480 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858557 1376757703 /nfs/dbraw/zinc/75/77/03/1376757703.db2.gz WALAJEFZXOOVBL-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892861 1376771838 /nfs/dbraw/zinc/77/18/38/1376771838.db2.gz PXNXXKKTMOLGDD-GJZGRUSLSA-N 2 0 330.476 3.257 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994861 1376833183 /nfs/dbraw/zinc/83/31/83/1376833183.db2.gz XEUDKKHQGSKRJA-QDNWOOLPSA-N 2 0 328.460 3.177 20 0 EGADRP Clc1cccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)o2)c1 ZINC001235036295 1376834409 /nfs/dbraw/zinc/83/44/09/1376834409.db2.gz LDIIDYCMTBBFMM-DNVCBOLYSA-N 2 0 346.858 3.410 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134998722 1376834841 /nfs/dbraw/zinc/83/48/41/1376834841.db2.gz LLIYGCIJHAIMPD-JKSUJKDBSA-N 2 0 342.487 3.401 20 0 EGADRP Oc1cccc2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC001235427737 1376869680 /nfs/dbraw/zinc/86/96/80/1376869680.db2.gz NBDPIRPETJJBMZ-IAGOWNOFSA-N 2 0 325.456 3.152 20 0 EGADRP Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001235427789 1376870032 /nfs/dbraw/zinc/87/00/32/1376870032.db2.gz OHCZTHYYCVGOIP-MOPGFXCFSA-N 2 0 344.499 3.393 20 0 EGADRP Clc1ccc2c(c1)n[nH]c2C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431231 1376872459 /nfs/dbraw/zinc/87/24/59/1376872459.db2.gz YZWKEQAMFDYYSJ-ZIAGYGMSSA-N 2 0 332.879 3.428 20 0 EGADRP CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001235430137 1376872471 /nfs/dbraw/zinc/87/24/71/1376872471.db2.gz FIQWYJVCDCLDJT-UHFFFAOYSA-N 2 0 326.440 3.101 20 0 EGADRP Clc1cccc(N2CC[NH+](CC3CC4(C3)CC[NH2+]CC4)CC2)c1 ZINC001235473592 1376873172 /nfs/dbraw/zinc/87/31/72/1376873172.db2.gz PXTSXCUFPAVUJJ-UHFFFAOYSA-N 2 0 333.907 3.242 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CCC1CC1 ZINC001135076354 1376881560 /nfs/dbraw/zinc/88/15/60/1376881560.db2.gz AOMAGLZSOPMAKJ-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077363 1376882446 /nfs/dbraw/zinc/88/24/46/1376882446.db2.gz NVHOWTCLTUPXMA-IRXDYDNUSA-N 2 0 325.541 3.170 20 0 EGADRP Cc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cnc1OC(C)C ZINC001235702607 1376885088 /nfs/dbraw/zinc/88/50/88/1376885088.db2.gz NBZCSJYHZZNCEK-UHFFFAOYSA-N 2 0 331.504 3.389 20 0 EGADRP Fc1cc(F)c(CC[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1F ZINC001235702096 1376885155 /nfs/dbraw/zinc/88/51/55/1376885155.db2.gz JBZZMWPBGGSRBK-UHFFFAOYSA-N 2 0 326.406 3.358 20 0 EGADRP c1ccc(CN2CC[C@@H]([N@H+](CCC3C[NH2+]C3)Cc3ccccc3)C2)cc1 ZINC001235947395 1376922020 /nfs/dbraw/zinc/92/20/20/1376922020.db2.gz BBHADUJVBQCZOH-HSZRJFAPSA-N 2 0 349.522 3.373 20 0 EGADRP Fc1ccc(CN(CC2CC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389149 1376951695 /nfs/dbraw/zinc/95/16/95/1376951695.db2.gz SWJWZIWCRHWODY-HXUWFJFHSA-N 2 0 345.506 3.160 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181262 1376953027 /nfs/dbraw/zinc/95/30/27/1376953027.db2.gz NGDIAQUULKEBDJ-IAGOWNOFSA-N 2 0 335.536 3.234 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccccc1F ZINC001135181047 1376953417 /nfs/dbraw/zinc/95/34/17/1376953417.db2.gz LMYUCUYZCUFQDJ-CVEARBPZSA-N 2 0 349.494 3.073 20 0 EGADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181617 1376954230 /nfs/dbraw/zinc/95/42/30/1376954230.db2.gz RWSIJUWRXHCAGD-CVEARBPZSA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)c1cccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1 ZINC001237458569 1376978639 /nfs/dbraw/zinc/97/86/39/1376978639.db2.gz DMAFHZMZHSOEGG-UHFFFAOYSA-N 2 0 329.532 3.269 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1occc1C[NH+](C)C ZINC001135299086 1377026910 /nfs/dbraw/zinc/02/69/10/1377026910.db2.gz TXBAHQBRXFMMHU-LSDHHAIUSA-N 2 0 337.508 3.264 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CCCC2CCCC2)cc1 ZINC001135341334 1377046490 /nfs/dbraw/zinc/04/64/90/1377046490.db2.gz SWPJESRHCYIVPQ-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP NCC[N@H+]([C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246292381 1377051170 /nfs/dbraw/zinc/05/11/70/1377051170.db2.gz VYBRPPAIQOANRP-OQYHGZKISA-N 2 0 331.548 3.138 20 0 EGADRP COc1cccc(CC2(C[NH2+][C@H](C)Cc3ccco3)CC[NH2+]CC2)c1 ZINC001246381358 1377051583 /nfs/dbraw/zinc/05/15/83/1377051583.db2.gz PWIWQMDIVKFTSY-QGZVFWFLSA-N 2 0 342.483 3.421 20 0 EGADRP CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)CC[C@@H]21 ZINC001246761303 1377054343 /nfs/dbraw/zinc/05/43/43/1377054343.db2.gz AHQMZEYXSPNDTB-VKRLORBYSA-N 2 0 327.516 3.461 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc2ccccc21)NC(=O)CC[NH+](C)C ZINC001135371272 1377059542 /nfs/dbraw/zinc/05/95/42/1377059542.db2.gz DWXRMZICMBFTMF-IAGOWNOFSA-N 2 0 341.499 3.164 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001135376245 1377061990 /nfs/dbraw/zinc/06/19/90/1377061990.db2.gz RXMGJVRPSDOAFX-SJORKVTESA-N 2 0 335.536 3.092 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001327276858 1388478649 /nfs/dbraw/zinc/47/86/49/1388478649.db2.gz HCBSSZKRAGFNDX-MAUKXSAKSA-N 2 0 337.483 3.007 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001135437024 1377096524 /nfs/dbraw/zinc/09/65/24/1377096524.db2.gz KDNDJFLQITVWAY-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC1 ZINC001254510018 1377105615 /nfs/dbraw/zinc/10/56/15/1377105615.db2.gz LHPWZYPDUXMUDC-SFHVURJKSA-N 2 0 329.488 3.168 20 0 EGADRP CC(C)(C)OC(=O)N1CCC2(CCC([NH2+]CCCC[NH3+])CC2)CC1 ZINC001254790250 1377108992 /nfs/dbraw/zinc/10/89/92/1377108992.db2.gz WGLHTWMNVVCNSO-UHFFFAOYSA-N 2 0 339.524 3.275 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1)C(C)C ZINC001135474669 1377109967 /nfs/dbraw/zinc/10/99/67/1377109967.db2.gz WVXMRYFSDJOLCV-HKUYNNGSSA-N 2 0 333.520 3.128 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1)C(C)C ZINC001135474671 1377110040 /nfs/dbraw/zinc/11/00/40/1377110040.db2.gz WVXMRYFSDJOLCV-MJGOQNOKSA-N 2 0 333.520 3.128 20 0 EGADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258569280 1377117830 /nfs/dbraw/zinc/11/78/30/1377117830.db2.gz SOGMEXKKXWLLFO-HXUWFJFHSA-N 2 0 345.531 3.279 20 0 EGADRP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001135610606 1377161337 /nfs/dbraw/zinc/16/13/37/1377161337.db2.gz YIYHRQNLLFNYGU-ROUUACIJSA-N 2 0 345.531 3.100 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135690173 1377184388 /nfs/dbraw/zinc/18/43/88/1377184388.db2.gz FMEDCQQUBNSJHH-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/Cl ZINC001135691521 1377184983 /nfs/dbraw/zinc/18/49/83/1377184983.db2.gz VTQFEMHGFCZJRX-UETGSQEOSA-N 2 0 331.932 3.124 20 0 EGADRP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266114417 1377192292 /nfs/dbraw/zinc/19/22/92/1377192292.db2.gz ZUYVTVCVJWJEME-IBGZPJMESA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001135718940 1377193658 /nfs/dbraw/zinc/19/36/58/1377193658.db2.gz VXPRBLFEYSIYKK-WOJBJXKFSA-N 2 0 343.515 3.060 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135742896 1377199066 /nfs/dbraw/zinc/19/90/66/1377199066.db2.gz AQNMPDOQEPEZHP-IAGOWNOFSA-N 2 0 325.541 3.172 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135743169 1377199338 /nfs/dbraw/zinc/19/93/38/1377199338.db2.gz GFICFYLOGSRMHN-HUUCEWRRSA-N 2 0 339.911 3.055 20 0 EGADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001266189545 1377220905 /nfs/dbraw/zinc/22/09/05/1377220905.db2.gz HRDWEAUFBQSPSS-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823676 1377222441 /nfs/dbraw/zinc/22/24/41/1377222441.db2.gz FSIVGSZTSZXPFO-HNGSOEQISA-N 2 0 337.552 3.336 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135860702 1377238075 /nfs/dbraw/zinc/23/80/75/1377238075.db2.gz GMGCYXXBUNOCHS-MOPGFXCFSA-N 2 0 347.547 3.142 20 0 EGADRP CCc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001135861665 1377238760 /nfs/dbraw/zinc/23/87/60/1377238760.db2.gz VFRUPGFEKATBFU-ZWKOTPCHSA-N 2 0 347.547 3.006 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135861923 1377238783 /nfs/dbraw/zinc/23/87/83/1377238783.db2.gz YZEKFGJMGWDEOX-GJZGRUSLSA-N 2 0 347.494 3.027 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001266245790 1377243828 /nfs/dbraw/zinc/24/38/28/1377243828.db2.gz GRKWGFJUPHSCFS-RTBURBONSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135901357 1377255523 /nfs/dbraw/zinc/25/55/23/1377255523.db2.gz HBTDCTYWNQUNTA-IRXDYDNUSA-N 2 0 337.552 3.027 20 0 EGADRP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC2CCCCC2)CCCCC1 ZINC001266301377 1377262469 /nfs/dbraw/zinc/26/24/69/1377262469.db2.gz NFQJIMUTMYASSI-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135943977 1377272642 /nfs/dbraw/zinc/27/26/42/1377272642.db2.gz CPDUWQKRSBYDPO-JKSUJKDBSA-N 2 0 346.519 3.214 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)CCCC[NH+](C)C ZINC001135974561 1377283391 /nfs/dbraw/zinc/28/33/91/1377283391.db2.gz RCCMMXRUGJTXBL-HZPDHXFCSA-N 2 0 325.541 3.027 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135977274 1377284510 /nfs/dbraw/zinc/28/45/10/1377284510.db2.gz REOZLOLDAGVNHY-MSOLQXFVSA-N 2 0 333.520 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135981069 1377286524 /nfs/dbraw/zinc/28/65/24/1377286524.db2.gz XFBQGQPKLYVQID-LSDHHAIUSA-N 2 0 347.494 3.027 20 0 EGADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001266620342 1377349051 /nfs/dbraw/zinc/34/90/51/1377349051.db2.gz UABCROADFGVBMX-UTRMSSBJSA-N 2 0 349.494 3.244 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309415 1388494077 /nfs/dbraw/zinc/49/40/77/1388494077.db2.gz VKPFXGAFLCIODE-OALUTQOASA-N 2 0 337.552 3.077 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001267085880 1377411492 /nfs/dbraw/zinc/41/14/92/1377411492.db2.gz KDUYXYWYANTDCS-OALUTQOASA-N 2 0 349.563 3.316 20 0 EGADRP Cc1c(C(=O)NCC[C@@H](C)[NH2+]C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001267133505 1377416404 /nfs/dbraw/zinc/41/64/04/1377416404.db2.gz ICRIRWQUQZXKKQ-JKSUJKDBSA-N 2 0 344.503 3.423 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1nc2ccccc2s1 ZINC001136955137 1377445400 /nfs/dbraw/zinc/44/54/00/1377445400.db2.gz YOOZQPQXCYLHOR-UHFFFAOYSA-N 2 0 334.533 3.002 20 0 EGADRP COc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001137037729 1377462826 /nfs/dbraw/zinc/46/28/26/1377462826.db2.gz UUSWSZXDTLHPQO-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ncc(Cl)s1 ZINC001137110181 1377480052 /nfs/dbraw/zinc/48/00/52/1377480052.db2.gz KSHVPOJWCGZTNW-UHFFFAOYSA-N 2 0 346.972 3.282 20 0 EGADRP CCC(CC)C[NH+]1CCC(C)(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001270886329 1377616181 /nfs/dbraw/zinc/61/61/81/1377616181.db2.gz WROKEIIFCARAET-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP COc1c(C)cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1C ZINC001138430118 1377723308 /nfs/dbraw/zinc/72/33/08/1377723308.db2.gz RINPPFRHBIMMQG-UHFFFAOYSA-N 2 0 325.456 3.338 20 0 EGADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2c1cccc2Cl ZINC001138833774 1377793363 /nfs/dbraw/zinc/79/33/63/1377793363.db2.gz RWEQDEXWGIYPKK-ZWKOTPCHSA-N 2 0 346.906 3.032 20 0 EGADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139100057 1377829729 /nfs/dbraw/zinc/82/97/29/1377829729.db2.gz PXNOJDVYBNAEDD-WOJBJXKFSA-N 2 0 338.499 3.371 20 0 EGADRP C[NH+]1CCC2(CN(Cc3[nH]c(-c4ccccc4)nc3Cl)C2)CC1 ZINC001139284106 1377861882 /nfs/dbraw/zinc/86/18/82/1377861882.db2.gz FBJFTOJDEAQYQC-UHFFFAOYSA-N 2 0 330.863 3.258 20 0 EGADRP C[N@@H+](Cc1ccc(=O)[nH]c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139468161 1377889342 /nfs/dbraw/zinc/88/93/42/1377889342.db2.gz VPJKDKXDNWMTQS-UHFFFAOYSA-N 2 0 325.456 3.131 20 0 EGADRP O=c1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c[nH]1 ZINC001139469600 1377889518 /nfs/dbraw/zinc/88/95/18/1377889518.db2.gz ZFYNWVVQCXRSSZ-QEUVDIPISA-N 2 0 339.483 3.182 20 0 EGADRP CN(CCC[NH+]1CCCC1)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139538630 1377900496 /nfs/dbraw/zinc/90/04/96/1377900496.db2.gz SSGUPZRACXZZEZ-UHFFFAOYSA-N 2 0 340.393 3.499 20 0 EGADRP COc1ccc(-c2ncc(CN3CC[C@]4(CC[N@H+](C)C4)C3)s2)cc1 ZINC001139794476 1377951192 /nfs/dbraw/zinc/95/11/92/1377951192.db2.gz FQBIAHYFMQYLFQ-IBGZPJMESA-N 2 0 343.496 3.346 20 0 EGADRP COc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)ccc1C ZINC001140158428 1378023078 /nfs/dbraw/zinc/02/30/78/1378023078.db2.gz OGZSXWGHTAVAOS-UHFFFAOYSA-N 2 0 346.515 3.328 20 0 EGADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1OCC1CC1 ZINC001140491046 1378071684 /nfs/dbraw/zinc/07/16/84/1378071684.db2.gz MHVUJWSGDLFVPQ-UHFFFAOYSA-N 2 0 344.499 3.402 20 0 EGADRP O=C(NC1CCCC1)[C@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272717260 1378080069 /nfs/dbraw/zinc/08/00/69/1378080069.db2.gz RNJNEURKRCVBTB-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001275722047 1378152904 /nfs/dbraw/zinc/15/29/04/1378152904.db2.gz ZFTOVNSGGUDBQM-IBGZPJMESA-N 2 0 345.531 3.198 20 0 EGADRP Oc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001275892279 1378161601 /nfs/dbraw/zinc/16/16/01/1378161601.db2.gz RBAJOCGACIWZIA-UHFFFAOYSA-N 2 0 325.456 3.208 20 0 EGADRP CS[C@H](C)CC[NH+]1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001276470933 1378174221 /nfs/dbraw/zinc/17/42/21/1378174221.db2.gz UPHFGXOYLSLPIU-MRXNPFEDSA-N 2 0 349.544 3.217 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)CC1 ZINC001276492809 1378175868 /nfs/dbraw/zinc/17/58/68/1378175868.db2.gz ZKCYSAPPMUJJTF-DLBZAZTESA-N 2 0 347.469 3.067 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001140972825 1378195527 /nfs/dbraw/zinc/19/55/27/1378195527.db2.gz AMXCFLMQCIYAMR-INIZCTEOSA-N 2 0 341.421 3.213 20 0 EGADRP CC1CC(C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)C2CCCCCC2)C1 ZINC001277382100 1378220488 /nfs/dbraw/zinc/22/04/88/1378220488.db2.gz GEMFYLKDONMFDY-CTWPCTMYSA-N 2 0 349.563 3.125 20 0 EGADRP COC(C)(C)C[N@H+]1C[C@@H]2CC[NH+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277584400 1378235015 /nfs/dbraw/zinc/23/50/15/1378235015.db2.gz ISHLVOJGGAHDAH-IYBDPMFKSA-N 2 0 337.533 3.020 20 0 EGADRP COc1ccc(C(F)(F)F)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001141202711 1378266788 /nfs/dbraw/zinc/26/67/88/1378266788.db2.gz RNWUMGLIHPADOB-UHFFFAOYSA-N 2 0 330.394 3.488 20 0 EGADRP CCC[NH+]1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3OC)C[C@H]2C1 ZINC001141611589 1378350423 /nfs/dbraw/zinc/35/04/23/1378350423.db2.gz DMEVDPDZXUIYFD-HUUCEWRRSA-N 2 0 342.405 3.488 20 0 EGADRP Cn1cc2c(cccc2C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001142464994 1378444836 /nfs/dbraw/zinc/44/48/36/1378444836.db2.gz JXZURLYXDAVUNC-ROUUACIJSA-N 2 0 326.488 3.412 20 0 EGADRP c1cc2c(nccc2C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142879251 1378502175 /nfs/dbraw/zinc/50/21/75/1378502175.db2.gz OJEXKRQVWBBMSZ-OALUTQOASA-N 2 0 332.451 3.127 20 0 EGADRP C[N@@H+]1CC[C@@]2(CCN(Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978377 1378521319 /nfs/dbraw/zinc/52/13/19/1378521319.db2.gz PVERCMRPKXHJKO-LJQANCHMSA-N 2 0 342.874 3.325 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(C)nc3N)CC2)CC1 ZINC001143208428 1378559958 /nfs/dbraw/zinc/55/99/58/1378559958.db2.gz XVVVVWNBCLBVSB-UHFFFAOYSA-N 2 0 330.520 3.306 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282715645 1378573794 /nfs/dbraw/zinc/57/37/94/1378573794.db2.gz BMJXUPCJNGIRKZ-VQIMIIECSA-N 2 0 343.515 3.059 20 0 EGADRP O=C(c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550775 1388558600 /nfs/dbraw/zinc/55/86/00/1388558600.db2.gz KBDKNLRXJKMGJS-WOJBJXKFSA-N 2 0 341.499 3.029 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)c(Cl)c1F ZINC001143626083 1378627282 /nfs/dbraw/zinc/62/72/82/1378627282.db2.gz HMZGIWMNPSZZSE-UHFFFAOYSA-N 2 0 347.881 3.324 20 0 EGADRP C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283222580 1378764921 /nfs/dbraw/zinc/76/49/21/1378764921.db2.gz SLXLRBAJFCXGGF-MJGOQNOKSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001146391706 1378832945 /nfs/dbraw/zinc/83/29/45/1378832945.db2.gz IUKOHVSMUYZBAR-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C1CC1)NC(=O)C[NH+]1CCCC1 ZINC001146397387 1378834306 /nfs/dbraw/zinc/83/43/06/1378834306.db2.gz DWEPZLJCJSJFLG-IRXDYDNUSA-N 2 0 343.515 3.033 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408456 1378835777 /nfs/dbraw/zinc/83/57/77/1378835777.db2.gz JOAJVNZGGWJWFF-ZWKOTPCHSA-N 2 0 345.531 3.279 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146580844 1378871000 /nfs/dbraw/zinc/87/10/00/1378871000.db2.gz AQWRILVYMGJVME-IAGOWNOFSA-N 2 0 333.520 3.425 20 0 EGADRP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146585480 1378872524 /nfs/dbraw/zinc/87/25/24/1378872524.db2.gz YJFNHDRGJUGTIN-DLBZAZTESA-N 2 0 331.504 3.201 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001146592685 1378873463 /nfs/dbraw/zinc/87/34/63/1378873463.db2.gz KKNUOHGEIWFFIC-CVEARBPZSA-N 2 0 345.487 3.146 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001146601621 1378876130 /nfs/dbraw/zinc/87/61/30/1378876130.db2.gz MWLQIYFJOVFYIK-SJORKVTESA-N 2 0 345.531 3.277 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCC2)o1 ZINC001146699428 1378899508 /nfs/dbraw/zinc/89/95/08/1378899508.db2.gz CMBXBAIBYFYZRA-HOTGVXAUSA-N 2 0 349.519 3.408 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)CCCC[NH+]1CCCC1 ZINC001146699814 1378899651 /nfs/dbraw/zinc/89/96/51/1378899651.db2.gz CZWVCUIGDAPLBM-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP CC/C=C\CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327686283 1388582427 /nfs/dbraw/zinc/58/24/27/1388582427.db2.gz YSGWQODGFKYBBS-WHXUGTBJSA-N 2 0 343.515 3.315 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001147358555 1379008337 /nfs/dbraw/zinc/00/83/37/1379008337.db2.gz GTIGITRUDMMTNF-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001147359181 1379008535 /nfs/dbraw/zinc/00/85/35/1379008535.db2.gz NGDDQJYJXDGUDY-QFBILLFUSA-N 2 0 349.494 3.247 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147741994 1379070423 /nfs/dbraw/zinc/07/04/23/1379070423.db2.gz CRDUWJOFKXZLAY-UEKDZROGSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001147835884 1379088457 /nfs/dbraw/zinc/08/84/57/1379088457.db2.gz WDNNKKWBTSNQPK-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP CCCCCC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985409 1379103207 /nfs/dbraw/zinc/10/32/07/1379103207.db2.gz GCCWMGWMULFGQE-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017576 1379106573 /nfs/dbraw/zinc/10/65/73/1379106573.db2.gz TUAFYQQLYRKQIN-VOTSOKGWSA-N 2 0 347.547 3.142 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001283705646 1379131552 /nfs/dbraw/zinc/13/15/52/1379131552.db2.gz URDBODUPOFALTR-DLBZAZTESA-N 2 0 345.531 3.015 20 0 EGADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001148365660 1379157623 /nfs/dbraw/zinc/15/76/23/1379157623.db2.gz VLTUUHIUCCKNSS-UHFFFAOYSA-N 2 0 339.568 3.277 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148899828 1379293954 /nfs/dbraw/zinc/29/39/54/1379293954.db2.gz GTLPNBDMIKPBHZ-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Fc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC001327838426 1388603827 /nfs/dbraw/zinc/60/38/27/1388603827.db2.gz HBEVEHBQEMTYQV-SLFFLAALSA-N 2 0 331.479 3.305 20 0 EGADRP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001149387296 1379374658 /nfs/dbraw/zinc/37/46/58/1379374658.db2.gz SOAVSHKMCJWFEG-LJQANCHMSA-N 2 0 345.531 3.087 20 0 EGADRP CC[N@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386976 1379925016 /nfs/dbraw/zinc/92/50/16/1379925016.db2.gz VLDDYJMDCLAIQF-QUCCMNQESA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152464454 1379939065 /nfs/dbraw/zinc/93/90/65/1379939065.db2.gz MZOIRFXNUPQNTO-HXUWFJFHSA-N 2 0 345.531 3.136 20 0 EGADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC001152470443 1379939976 /nfs/dbraw/zinc/93/99/76/1379939976.db2.gz AMXKQVHCIGAZES-QFBILLFUSA-N 2 0 349.494 3.103 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501694 1380085757 /nfs/dbraw/zinc/08/57/57/1380085757.db2.gz RDWDCJRXSLQDQP-JSSFBXOYSA-N 2 0 337.552 3.290 20 0 EGADRP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819093 1380136140 /nfs/dbraw/zinc/13/61/40/1380136140.db2.gz NEMVEOJCKGTCPF-QUCCMNQESA-N 2 0 345.531 3.276 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930622 1380157026 /nfs/dbraw/zinc/15/70/26/1380157026.db2.gz ULRCXLNEAZIMIZ-MJGOQNOKSA-N 2 0 339.568 3.370 20 0 EGADRP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930490 1380157300 /nfs/dbraw/zinc/15/73/00/1380157300.db2.gz MVQUWCVGNHBFKN-HGFSOSMJSA-N 2 0 325.541 3.146 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(Cl)c1)[NH+](C)C ZINC001153998480 1380175129 /nfs/dbraw/zinc/17/51/29/1380175129.db2.gz SQEDOWFERIAEJX-RHSMWYFYSA-N 2 0 339.911 3.007 20 0 EGADRP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347836 1380261281 /nfs/dbraw/zinc/26/12/81/1380261281.db2.gz MBUVCAKJFXKBGQ-OAHLLOKOSA-N 2 0 342.487 3.211 20 0 EGADRP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480629 1380285763 /nfs/dbraw/zinc/28/57/63/1380285763.db2.gz BEHXOUCMFRKVEA-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C)c1)[NH+](CC)CC ZINC001155175604 1380419758 /nfs/dbraw/zinc/41/97/58/1380419758.db2.gz ZHXXSBLNJJHKNM-QUCCMNQESA-N 2 0 347.547 3.442 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF)[NH+](CC)CC ZINC001155180471 1380420237 /nfs/dbraw/zinc/42/02/37/1380420237.db2.gz AHNBKJWFTLQYHC-IAGOWNOFSA-N 2 0 331.520 3.073 20 0 EGADRP CC[N@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226418 1380426389 /nfs/dbraw/zinc/42/63/89/1380426389.db2.gz LDBOQLMQRXOGDA-RTBURBONSA-N 2 0 345.531 3.114 20 0 EGADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237918 1380427969 /nfs/dbraw/zinc/42/79/69/1380427969.db2.gz PZSLWPYBZLIMOU-VQIMIIECSA-N 2 0 343.531 3.216 20 0 EGADRP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249199 1380429053 /nfs/dbraw/zinc/42/90/53/1380429053.db2.gz INWOTGNZQGQCGR-GOSISDBHSA-N 2 0 345.531 3.197 20 0 EGADRP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255577 1380429455 /nfs/dbraw/zinc/42/94/55/1380429455.db2.gz UNPHYDYXJUVWRV-LJQANCHMSA-N 2 0 347.547 3.034 20 0 EGADRP Cc1ccc2c(c1)nc(Cl)cc2N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375602 1380443309 /nfs/dbraw/zinc/44/33/09/1380443309.db2.gz FWSBYNZKLWPHOS-HNNXBMFYSA-N 2 0 344.890 3.056 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155619994 1380474776 /nfs/dbraw/zinc/47/47/76/1380474776.db2.gz FKNUQOWEOSWLOZ-QZTJIDSGSA-N 2 0 343.531 3.216 20 0 EGADRP CO[C@H](C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1)c1ccccc1 ZINC001155705439 1380485255 /nfs/dbraw/zinc/48/52/55/1380485255.db2.gz GFUNREGKNCTPRE-LJQANCHMSA-N 2 0 336.439 3.073 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H]3c3ccccn3)c2)CC1 ZINC001156033425 1380514897 /nfs/dbraw/zinc/51/48/97/1380514897.db2.gz OTXWWWZWQFXMGI-LJQANCHMSA-N 2 0 338.455 3.291 20 0 EGADRP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131373 1380529659 /nfs/dbraw/zinc/52/96/59/1380529659.db2.gz NHZSYPWVMIPMAF-GOSISDBHSA-N 2 0 349.563 3.434 20 0 EGADRP CN(C)c1cccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[nH+]1 ZINC001156315197 1380556669 /nfs/dbraw/zinc/55/66/69/1380556669.db2.gz LENLVMBBEAEFAC-CEXWTWQISA-N 2 0 336.483 3.470 20 0 EGADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)CC[NH2+]C5)[C@H]3C2)cc1 ZINC001156313811 1380556832 /nfs/dbraw/zinc/55/68/32/1380556832.db2.gz CIZNURKLJFPTGE-ZJOUEHCJSA-N 2 0 348.494 3.050 20 0 EGADRP Cc1cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C[NH3+])c1 ZINC001156317735 1380557284 /nfs/dbraw/zinc/55/72/84/1380557284.db2.gz NEWXXAJVIJTGFG-DFQSSKMNSA-N 2 0 336.483 3.171 20 0 EGADRP CC[N@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156476043 1380581012 /nfs/dbraw/zinc/58/10/12/1380581012.db2.gz ZNGIHEGFLFBIMF-JLAWEPINSA-N 2 0 339.568 3.371 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(Cl)c1 ZINC001156525699 1380588001 /nfs/dbraw/zinc/58/80/01/1380588001.db2.gz VEGIFIKMBXUQCM-OAHLLOKOSA-N 2 0 339.911 3.008 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001156609052 1380599661 /nfs/dbraw/zinc/59/96/61/1380599661.db2.gz LULPSJSZJLTDNS-SFHVURJKSA-N 2 0 335.455 3.426 20 0 EGADRP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098406 1380775231 /nfs/dbraw/zinc/77/52/31/1380775231.db2.gz DNVMBKRAYBRPOG-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118981 1380780229 /nfs/dbraw/zinc/78/02/29/1380780229.db2.gz QRCMXSCUEDCABN-QZTJIDSGSA-N 2 0 343.531 3.073 20 0 EGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc1 ZINC001157987731 1381094671 /nfs/dbraw/zinc/09/46/71/1381094671.db2.gz PYNJGNGDXKCHGV-HKUYNNGSSA-N 2 0 339.487 3.020 20 0 EGADRP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158030290 1381108134 /nfs/dbraw/zinc/10/81/34/1381108134.db2.gz UOKLKCLFLHGFCA-MSOLQXFVSA-N 2 0 343.531 3.169 20 0 EGADRP O=C(NCCC[NH2+]CCCC1CCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097753 1381126757 /nfs/dbraw/zinc/12/67/57/1381126757.db2.gz DQOAPSXYZMDVOX-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158289311 1381186276 /nfs/dbraw/zinc/18/62/76/1381186276.db2.gz CLOBQKSIPAQSEO-WOJBJXKFSA-N 2 0 347.547 3.140 20 0 EGADRP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329517 1381203008 /nfs/dbraw/zinc/20/30/08/1381203008.db2.gz PGSZUHPIOWELBX-WYNBNGFRSA-N 2 0 335.536 3.140 20 0 EGADRP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434965 1381246143 /nfs/dbraw/zinc/24/61/43/1381246143.db2.gz QECFCXJNOBDIFD-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158473915 1381256244 /nfs/dbraw/zinc/25/62/44/1381256244.db2.gz QEGFABPCMYESGT-OBNUAKFSSA-N 2 0 335.536 3.140 20 0 EGADRP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555655 1381295719 /nfs/dbraw/zinc/29/57/19/1381295719.db2.gz WJCWZJREDAYIEP-PKOBYXMFSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cc2ccccc2c(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)n1 ZINC001158581864 1381309684 /nfs/dbraw/zinc/30/96/84/1381309684.db2.gz ZMPSQSBAQYFYMJ-UHFFFAOYSA-N 2 0 338.499 3.196 20 0 EGADRP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158624401 1381327544 /nfs/dbraw/zinc/32/75/44/1381327544.db2.gz BPGOIEDUXUEANT-JBVUFVISSA-N 2 0 337.552 3.388 20 0 EGADRP C[N@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751533 1381382235 /nfs/dbraw/zinc/38/22/35/1381382235.db2.gz WLVQKWVYVZIPES-VQTJNVASSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1cccc(C)c1 ZINC001158773543 1381392880 /nfs/dbraw/zinc/39/28/80/1381392880.db2.gz QLHCKYXGALOCFS-HXUWFJFHSA-N 2 0 345.531 3.150 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158782070 1381397522 /nfs/dbraw/zinc/39/75/22/1381397522.db2.gz ZZGFBECUGCAUFM-GOSISDBHSA-N 2 0 339.568 3.467 20 0 EGADRP Cn1cncc1CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158807219 1381408126 /nfs/dbraw/zinc/40/81/26/1381408126.db2.gz ZTWUCJCCOAMHNC-GOSISDBHSA-N 2 0 348.535 3.102 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001158922617 1381465185 /nfs/dbraw/zinc/46/51/85/1381465185.db2.gz FWAAFBMPZHYVBY-UYAOXDASSA-N 2 0 345.531 3.401 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001159335002 1381768140 /nfs/dbraw/zinc/76/81/40/1381768140.db2.gz OJDNUNGXWQUXPV-FQEVSTJZSA-N 2 0 345.531 3.280 20 0 EGADRP C[NH+](C)Cc1cccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c1 ZINC001159343510 1381771682 /nfs/dbraw/zinc/77/16/82/1381771682.db2.gz IFMFTEGETVLPSZ-UHFFFAOYSA-N 2 0 340.471 3.265 20 0 EGADRP Cc1cc(N2CCCC2)nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]1 ZINC001159392016 1381784186 /nfs/dbraw/zinc/78/41/86/1381784186.db2.gz VWMLELQOHUAXMM-UHFFFAOYSA-N 2 0 331.508 3.449 20 0 EGADRP c1cc(Nc2cc[nH+]c(N3CCOCC3)c2)cc(C2CC[NH2+]CC2)c1 ZINC001159765411 1381893207 /nfs/dbraw/zinc/89/32/07/1381893207.db2.gz XWCJZUYLSZRZII-UHFFFAOYSA-N 2 0 338.455 3.129 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC001159775906 1381896793 /nfs/dbraw/zinc/89/67/93/1381896793.db2.gz OYNBPHQGBLWBBF-KRWDZBQOSA-N 2 0 325.456 3.448 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC001159785838 1381899140 /nfs/dbraw/zinc/89/91/40/1381899140.db2.gz UFTACUKMTBXSST-LJQANCHMSA-N 2 0 333.439 3.246 20 0 EGADRP [NH3+]CCC[C@@H]([NH3+])NC(F)(F)c1cnc(Cl)c(C2CCCCC2)c1 ZINC001159787903 1381900078 /nfs/dbraw/zinc/90/00/78/1381900078.db2.gz DLWWZXACGYOFHE-AWEZNQCLSA-N 2 0 346.853 3.445 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc[nH+]c(N)n3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001159886805 1381928881 /nfs/dbraw/zinc/92/88/81/1381928881.db2.gz LMRYGTBNPWNFMZ-KWRZAIAESA-N 2 0 331.508 3.429 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001159911529 1381935128 /nfs/dbraw/zinc/93/51/28/1381935128.db2.gz ZVDAOOSVQHYZLD-QUCCMNQESA-N 2 0 343.515 3.033 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159923407 1381938634 /nfs/dbraw/zinc/93/86/34/1381938634.db2.gz FBJANZYTMBSPLX-IBGZPJMESA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)(C)c1cc(Nc2cccc(C(=O)N3CC[NH2+]CC3)c2)cc[nH+]1 ZINC001159993951 1381963113 /nfs/dbraw/zinc/96/31/13/1381963113.db2.gz GSGZTIXIMQTZSQ-UHFFFAOYSA-N 2 0 338.455 3.168 20 0 EGADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nccc(C4CC[NH2+]CC4)n3)c2c1 ZINC001160011443 1381966866 /nfs/dbraw/zinc/96/68/66/1381966866.db2.gz HZFWOKRKHFWMMV-HNNXBMFYSA-N 2 0 349.482 3.086 20 0 EGADRP c1ccc(C2=CC[NH2+]CC2)c(NC2=CC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001160026471 1381972171 /nfs/dbraw/zinc/97/21/71/1381972171.db2.gz RUBGAUGFBHLTAE-IBGZPJMESA-N 2 0 339.483 3.244 20 0 EGADRP [NH3+][C@@H]1CCN(c2ccccc2Nc2ccc(C3CC[NH2+]CC3)cc2)C1 ZINC001160039742 1381976399 /nfs/dbraw/zinc/97/63/99/1381976399.db2.gz GRUZZRPOXALXAU-GOSISDBHSA-N 2 0 336.483 3.435 20 0 EGADRP CC(C)(C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001160125474 1382005186 /nfs/dbraw/zinc/00/51/86/1382005186.db2.gz HSCPLESDJORQPW-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001160134639 1382010429 /nfs/dbraw/zinc/01/04/29/1382010429.db2.gz GPKAMGLPKUDYBH-UHFFFAOYSA-N 2 0 341.430 3.346 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001160273798 1382058286 /nfs/dbraw/zinc/05/82/86/1382058286.db2.gz OGLNLVLNJGEUBI-ITJCZCKWSA-N 2 0 343.515 3.060 20 0 EGADRP [NH3+]Cc1cnccc1Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001160357985 1382082212 /nfs/dbraw/zinc/08/22/12/1382082212.db2.gz BOEAZWXJPBZMBD-HXUWFJFHSA-N 2 0 336.483 3.049 20 0 EGADRP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160359782 1382082509 /nfs/dbraw/zinc/08/25/09/1382082509.db2.gz ALZPKYDIDXKNPI-ROUKRRSUSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)C[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360082 1382083167 /nfs/dbraw/zinc/08/31/67/1382083167.db2.gz IJSBUDVNGHUGKG-LJQANCHMSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001160435456 1382102667 /nfs/dbraw/zinc/10/26/67/1382102667.db2.gz XIRWXZZZNZTRSO-YOEHRIQHSA-N 2 0 339.911 3.083 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001160499607 1382123809 /nfs/dbraw/zinc/12/38/09/1382123809.db2.gz FCHKUQIDKLRWOO-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567587 1382144868 /nfs/dbraw/zinc/14/48/68/1382144868.db2.gz GHTUFUBXMSXWLB-ICSRJNTNSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)(C)CC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593397 1382149336 /nfs/dbraw/zinc/14/93/36/1382149336.db2.gz QXEMJSNJCDEKHQ-UHFFFAOYSA-N 2 0 347.547 3.189 20 0 EGADRP COc1cccc2c1c(C[NH3+])cn2-c1ccc(C[NH+]2CCCC2)cn1 ZINC001160764756 1382189933 /nfs/dbraw/zinc/18/99/33/1382189933.db2.gz FGVXSUYUBFHKIX-UHFFFAOYSA-N 2 0 336.439 3.089 20 0 EGADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001292810758 1382215786 /nfs/dbraw/zinc/21/57/86/1382215786.db2.gz SSLTZYHEVZJKIW-SFHVURJKSA-N 2 0 349.563 3.364 20 0 EGADRP [NH3+]CCc1cn(-c2nnc(Cl)c3ccc(F)cc32)c2cc[nH+]cc12 ZINC001160951911 1382248828 /nfs/dbraw/zinc/24/88/28/1382248828.db2.gz OPNSZJNAEFAHSH-UHFFFAOYSA-N 2 0 341.777 3.262 20 0 EGADRP CSc1nc2ccccc2c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160950992 1382248969 /nfs/dbraw/zinc/24/89/69/1382248969.db2.gz YPLHWHUNVAJOJI-UHFFFAOYSA-N 2 0 335.436 3.192 20 0 EGADRP Cc1cc(-c2ccccc2F)nnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160952397 1382249458 /nfs/dbraw/zinc/24/94/58/1382249458.db2.gz ZDSSOZKRXZINIM-UHFFFAOYSA-N 2 0 347.397 3.431 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986388 1382262371 /nfs/dbraw/zinc/26/23/71/1382262371.db2.gz RYXCDAJEDFYBSU-HXUWFJFHSA-N 2 0 349.563 3.437 20 0 EGADRP C[NH+](C)CCCC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001161036498 1382278746 /nfs/dbraw/zinc/27/87/46/1382278746.db2.gz LMAPHKLSMVGSFD-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)c1 ZINC001161107125 1382299417 /nfs/dbraw/zinc/29/94/17/1382299417.db2.gz ZNCFOVIANHISBA-GOSISDBHSA-N 2 0 343.515 3.146 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001161245707 1382353382 /nfs/dbraw/zinc/35/33/82/1382353382.db2.gz QDHMCLKNIQZCOM-AWEZNQCLSA-N 2 0 339.911 3.227 20 0 EGADRP Cc1c(C(=O)NCCC[NH2+]CCC2=CCCCC2)ccc2c[nH+]cn21 ZINC001161563998 1382440302 /nfs/dbraw/zinc/44/03/02/1382440302.db2.gz NRHKFGBXGCEBRE-UHFFFAOYSA-N 2 0 340.471 3.243 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001161678303 1382477998 /nfs/dbraw/zinc/47/79/98/1382477998.db2.gz DVIFLXDDZYNRSB-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CCC[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683013 1382480152 /nfs/dbraw/zinc/48/01/52/1382480152.db2.gz IHSUUZLHQRZAOP-FQEVSTJZSA-N 2 0 343.515 3.228 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161705503 1382485900 /nfs/dbraw/zinc/48/59/00/1382485900.db2.gz ULVDJBZJQLHKTE-QUCCMNQESA-N 2 0 349.563 3.149 20 0 EGADRP CC(C)(C)CCC[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716247 1382487584 /nfs/dbraw/zinc/48/75/84/1382487584.db2.gz JEPRWGYLZSPTDZ-UHFFFAOYSA-N 2 0 347.547 3.047 20 0 EGADRP C[NH+](C)CCCCNc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001161730776 1382490632 /nfs/dbraw/zinc/49/06/32/1382490632.db2.gz GTDKXCXCIVOSNO-QGZVFWFLSA-N 2 0 329.492 3.105 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CCC2CCCCC2)CC1 ZINC001161755102 1382495535 /nfs/dbraw/zinc/49/55/35/1382495535.db2.gz LTAYXEYHFPQYLG-UHFFFAOYSA-N 2 0 349.563 3.437 20 0 EGADRP CCc1coc(CNc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)n1 ZINC001162139744 1382637483 /nfs/dbraw/zinc/63/74/83/1382637483.db2.gz AGXYCSYCFYPOLL-UHFFFAOYSA-N 2 0 328.460 3.020 20 0 EGADRP Cc1nc2sc3c(c2c(NCCC[NH2+]CCCC[NH3+])n1)CCCC3 ZINC001162292229 1382724034 /nfs/dbraw/zinc/72/40/34/1382724034.db2.gz LWXHYYPWGYWNNH-UHFFFAOYSA-N 2 0 347.532 3.009 20 0 EGADRP O=C(NCCC[NH2+][C@@H]1CCCc2ccccc21)c1ccc2c[nH+]cn2c1 ZINC001162617993 1382812001 /nfs/dbraw/zinc/81/20/01/1382812001.db2.gz YREVAIBIYMAAKW-HXUWFJFHSA-N 2 0 348.450 3.121 20 0 EGADRP C[N@@H+]1CC[C@H](c2ccc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)cc2)C1 ZINC001162967280 1382930420 /nfs/dbraw/zinc/93/04/20/1382930420.db2.gz OBYZTMZUGQFCGH-AZUAARDMSA-N 2 0 343.515 3.066 20 0 EGADRP c1cc([C@@H]2CCC[NH2+]C2)ccc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966218 1382930834 /nfs/dbraw/zinc/93/08/34/1382930834.db2.gz FHYJAKRPHKESLE-QUCCMNQESA-N 2 0 343.515 3.114 20 0 EGADRP c1cc2n(c1)C[C@@H](CCNc1cc[nH+]c(N3CCCCC3)c1)C[NH2+]C2 ZINC001163060460 1382957817 /nfs/dbraw/zinc/95/78/17/1382957817.db2.gz NAEIQEVUFRYEAP-KRWDZBQOSA-N 2 0 339.487 3.095 20 0 EGADRP CC[NH+](CC)CCNC(=[NH2+])Nc1cccc(-c2cccc(Cl)n2)n1 ZINC001163125682 1382970929 /nfs/dbraw/zinc/97/09/29/1382970929.db2.gz GWOAOXHDSDFTGD-UHFFFAOYSA-N 2 0 346.866 3.075 20 0 EGADRP c1cc2c(s1)[C@@H](Nc1ccc(COC3CC[NH2+]CC3)cc1)C[NH2+]C2 ZINC001163230047 1383000500 /nfs/dbraw/zinc/00/05/00/1383000500.db2.gz UAHRAVDVGZXRKC-SFHVURJKSA-N 2 0 343.496 3.273 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1F ZINC001163291136 1383014161 /nfs/dbraw/zinc/01/41/61/1383014161.db2.gz ZSSBMIXCPQILDP-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP c1[nH]c2ccc(N[C@H]3C[NH+]4CCC3CC4)cc2c1CC[NH+]1CCCC1 ZINC001163393198 1383040593 /nfs/dbraw/zinc/04/05/93/1383040593.db2.gz PGZOBROXUKJJKD-NRFANRHFSA-N 2 0 338.499 3.312 20 0 EGADRP CC(C)N(CCC[NH3+])c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001164122412 1383158413 /nfs/dbraw/zinc/15/84/13/1383158413.db2.gz CMIQLMRIMHCKBA-UHFFFAOYSA-N 2 0 328.504 3.370 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)[NH+](CC)CC ZINC001164424509 1383185604 /nfs/dbraw/zinc/18/56/04/1383185604.db2.gz BHCLUOUNDTZHEW-GOSISDBHSA-N 2 0 326.444 3.306 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)c1occc1C[NH+](C)C)c1ccccc1 ZINC001165245667 1383257049 /nfs/dbraw/zinc/25/70/49/1383257049.db2.gz AOSIBOWCOLMERX-SFHVURJKSA-N 2 0 343.471 3.202 20 0 EGADRP O=C(CCc1c[nH]cn1)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001165383561 1383282985 /nfs/dbraw/zinc/28/29/85/1383282985.db2.gz MZRBNISGEKFAHF-UHFFFAOYSA-N 2 0 346.519 3.189 20 0 EGADRP CC(C)Oc1cc[nH+]c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001165419770 1383292014 /nfs/dbraw/zinc/29/20/14/1383292014.db2.gz BAFCCYZHCVUXFC-CTNGQTDRSA-N 2 0 337.467 3.452 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165567999 1383310842 /nfs/dbraw/zinc/31/08/42/1383310842.db2.gz DDEZTODWOUUSEG-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165729071 1383334463 /nfs/dbraw/zinc/33/44/63/1383334463.db2.gz YKKADFQLIYIYIJ-FKDQEEMOSA-N 2 0 347.547 3.236 20 0 EGADRP CC(C)=CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001165895319 1383359424 /nfs/dbraw/zinc/35/94/24/1383359424.db2.gz XODIMUUZHMVCRR-UHFFFAOYSA-N 2 0 349.563 3.482 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927295 1383366331 /nfs/dbraw/zinc/36/63/31/1383366331.db2.gz ZRZWADPUKQKOPV-SFFCAUCYSA-N 2 0 349.563 3.339 20 0 EGADRP CCc1ccc(CC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC)cc1 ZINC001166447689 1383423704 /nfs/dbraw/zinc/42/37/04/1383423704.db2.gz NFPCDEHBNJXNLF-FQEVSTJZSA-N 2 0 347.547 3.008 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]C[C@@H](C)CC)CC2)C1 ZINC001166793259 1383478395 /nfs/dbraw/zinc/47/83/95/1383478395.db2.gz HDIFYWJVLAYWAN-ZWKOTPCHSA-N 2 0 337.552 3.031 20 0 EGADRP CC1CCC(C[NH2+]CC2(CCNC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001166978914 1383508975 /nfs/dbraw/zinc/50/89/75/1383508975.db2.gz FJCWLGYKAPPEPZ-UHFFFAOYSA-N 2 0 349.563 3.031 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1F ZINC001328786846 1388863436 /nfs/dbraw/zinc/86/34/36/1388863436.db2.gz RGAFCUGLAUCAFS-IAGOWNOFSA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1)[NH+](C)C ZINC001167251390 1383575369 /nfs/dbraw/zinc/57/53/69/1383575369.db2.gz SVMBTUSTGFPOCQ-YJBOKZPZSA-N 2 0 349.494 3.103 20 0 EGADRP C[NH+]1CCC(CC(=O)NCCC2(C[NH2+]CCC(C)(C)C)CC2)CC1 ZINC001167391089 1383621276 /nfs/dbraw/zinc/62/12/76/1383621276.db2.gz CHVODPDNWYWDKP-UHFFFAOYSA-N 2 0 337.552 3.031 20 0 EGADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167426283 1383631059 /nfs/dbraw/zinc/63/10/59/1383631059.db2.gz QJZHUKSBYATAKN-MRXNPFEDSA-N 2 0 346.519 3.045 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC2(C[NH2+]CCC3CC3)CC2)cc1 ZINC001167461100 1383639929 /nfs/dbraw/zinc/63/99/29/1383639929.db2.gz YFVKGWDFBSVELF-UHFFFAOYSA-N 2 0 343.515 3.038 20 0 EGADRP CCc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001167608530 1383688479 /nfs/dbraw/zinc/68/84/79/1383688479.db2.gz FSEDPMLDOQKWQX-GOSISDBHSA-N 2 0 345.531 3.109 20 0 EGADRP CCc1cccc(C[NH2+]CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001167609637 1383688867 /nfs/dbraw/zinc/68/88/67/1383688867.db2.gz OCVHYXJXDGJXBP-SFHVURJKSA-N 2 0 345.531 3.109 20 0 EGADRP C[C@@H](C(=O)NCCC[NH2+]CCCC1CCCC1)[NH+]1CCCCCC1 ZINC001167610201 1383689166 /nfs/dbraw/zinc/68/91/66/1383689166.db2.gz QWDXUZPBVKRQIL-SFHVURJKSA-N 2 0 337.552 3.317 20 0 EGADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001167620167 1383690396 /nfs/dbraw/zinc/69/03/96/1383690396.db2.gz PCWGDKJUJZNCPU-UYAOXDASSA-N 2 0 345.531 3.498 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1F ZINC001167620994 1383690750 /nfs/dbraw/zinc/69/07/50/1383690750.db2.gz VUCOENGKOOBHGA-IAGOWNOFSA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c(C)c1 ZINC001167635234 1383694313 /nfs/dbraw/zinc/69/43/13/1383694313.db2.gz MCFULBLKHFLSAZ-FQEVSTJZSA-N 2 0 345.531 3.162 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167639560 1383695768 /nfs/dbraw/zinc/69/57/68/1383695768.db2.gz BNERDLOXQHYRTQ-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC001167683808 1383709516 /nfs/dbraw/zinc/70/95/16/1383709516.db2.gz BXPWDBNHGMQAGF-MAUKXSAKSA-N 2 0 335.467 3.125 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742738 1383726410 /nfs/dbraw/zinc/72/64/10/1383726410.db2.gz VVNWIYXJGPCWDH-MSOLQXFVSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742655 1383726428 /nfs/dbraw/zinc/72/64/28/1383726428.db2.gz RPXYECFZXIMTFE-ROUUACIJSA-N 2 0 337.552 3.029 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001167825835 1383749980 /nfs/dbraw/zinc/74/99/80/1383749980.db2.gz LIPCKSMBBJPVHQ-INIZCTEOSA-N 2 0 330.520 3.265 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2nccnc2C)C1 ZINC001167833915 1383752925 /nfs/dbraw/zinc/75/29/25/1383752925.db2.gz FWAPGLVZNQOYAO-AEFFLSMTSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001167833543 1383753442 /nfs/dbraw/zinc/75/34/42/1383753442.db2.gz CGGJFHJNTADTJX-AZUAARDMSA-N 2 0 334.504 3.277 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2ncc(C)cn2)C1 ZINC001167836192 1383753955 /nfs/dbraw/zinc/75/39/55/1383753955.db2.gz XCPDBAYKBIBWNM-ZWKOTPCHSA-N 2 0 334.508 3.139 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001167839885 1383756068 /nfs/dbraw/zinc/75/60/68/1383756068.db2.gz CJRSNCNBYRJFNI-MJGOQNOKSA-N 2 0 334.504 3.213 20 0 EGADRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940913 1383774361 /nfs/dbraw/zinc/77/43/61/1383774361.db2.gz YZTBJZKILSREJW-XMTFNYHQSA-N 2 0 330.472 3.133 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167962178 1383780582 /nfs/dbraw/zinc/78/05/82/1383780582.db2.gz VEJYTGNYTNNSNZ-LVNQGSGBSA-N 2 0 333.564 3.349 20 0 EGADRP FC(F)(F)CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167971280 1383782730 /nfs/dbraw/zinc/78/27/30/1383782730.db2.gz VYXCTUDTKJRCNG-ALOPSCKCSA-N 2 0 345.453 3.008 20 0 EGADRP O[C@]1(C(F)(F)F)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167982810 1383786626 /nfs/dbraw/zinc/78/66/26/1383786626.db2.gz BAXGRPKDMQKPAU-FCLJQHQZSA-N 2 0 346.437 3.171 20 0 EGADRP C[N@@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](c2ccccc2)C1 ZINC001167984428 1383787657 /nfs/dbraw/zinc/78/76/57/1383787657.db2.gz OSXUIIBMYRUPOV-IUPYZPJSSA-N 2 0 339.527 3.381 20 0 EGADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001167992607 1383789985 /nfs/dbraw/zinc/78/99/85/1383789985.db2.gz RDZVFANTNMCNMJ-UHFFFAOYSA-N 2 0 342.418 3.126 20 0 EGADRP FC1CC[NH+](C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)CC1 ZINC001167994442 1383790920 /nfs/dbraw/zinc/79/09/20/1383790920.db2.gz DGCARNLSMYLBSA-WCRBZPEASA-N 2 0 349.538 3.290 20 0 EGADRP Cc1ncn(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1CC[NH3+] ZINC001168011918 1383796588 /nfs/dbraw/zinc/79/65/88/1383796588.db2.gz UHYKNQKVDADKAD-HZPDHXFCSA-N 2 0 326.488 3.307 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012564 1383796845 /nfs/dbraw/zinc/79/68/45/1383796845.db2.gz CCVNEQKTFMDMRP-OPVJXMOQSA-N 2 0 339.483 3.492 20 0 EGADRP C[C@@H]1CC(n2cc3c(n2)CC[C@@H]([NH3+])C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018279 1383797949 /nfs/dbraw/zinc/79/79/49/1383797949.db2.gz CMJWHMKXCBZHGQ-GPMSIDNRSA-N 2 0 338.499 3.313 20 0 EGADRP COC(CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001168024307 1383799548 /nfs/dbraw/zinc/79/95/48/1383799548.db2.gz DZCQCWVLZOOPBY-IZZQQSIFSA-N 2 0 334.504 3.417 20 0 EGADRP CCOC(=O)[C@@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029666 1383800033 /nfs/dbraw/zinc/80/00/33/1383800033.db2.gz UMLPZAWVPKLRTD-BMFAXAFESA-N 2 0 332.488 3.217 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030370 1383800354 /nfs/dbraw/zinc/80/03/54/1383800354.db2.gz NQDGTZRTKJYKIW-RTBURBONSA-N 2 0 347.547 3.070 20 0 EGADRP COC(=O)[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039485 1383802202 /nfs/dbraw/zinc/80/22/02/1383802202.db2.gz FQKPOYAOKJNQEM-JENIJYKNSA-N 2 0 344.499 3.313 20 0 EGADRP C[C@@H]1CC([NH+]2CCC(C)(C(N)=O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051311 1383804002 /nfs/dbraw/zinc/80/40/02/1383804002.db2.gz HFDJEXVDXCAVCN-IAGOWNOFSA-N 2 0 343.515 3.015 20 0 EGADRP C[C@H]1C[C@H]([NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)CCO1 ZINC001168118140 1383820831 /nfs/dbraw/zinc/82/08/31/1383820831.db2.gz OOIGERQIXRBEON-PKOBYXMFSA-N 2 0 343.515 3.326 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H]2COc3ccc(Br)cc32)CC1 ZINC001168298246 1383866574 /nfs/dbraw/zinc/86/65/74/1383866574.db2.gz HWGVMTBXMTXZJT-SSDMNJCBSA-N 2 0 339.277 3.345 20 0 EGADRP C[NH+](C)C1CCC([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC001168298355 1383866610 /nfs/dbraw/zinc/86/66/10/1383866610.db2.gz OPDNCGOITKCHAF-GPANFISMSA-N 2 0 330.394 3.201 20 0 EGADRP C[NH+](C)C1CCC([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001168306347 1383868905 /nfs/dbraw/zinc/86/89/05/1383868905.db2.gz XDUUBFGRQOQWST-UHFFFAOYSA-N 3 0 335.923 3.463 20 0 EGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc3nnc(-c4ccccc4)n3c2)CC1 ZINC001168306317 1383869128 /nfs/dbraw/zinc/86/91/28/1383869128.db2.gz WNDULSIVBJZVNT-UHFFFAOYSA-N 2 0 349.482 3.359 20 0 EGADRP CCOC(=O)CC[N@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168318967 1383871183 /nfs/dbraw/zinc/87/11/83/1383871183.db2.gz JOGXMHPXWSLTFA-UHFFFAOYSA-N 2 0 332.488 3.315 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001168314464 1383871853 /nfs/dbraw/zinc/87/18/53/1383871853.db2.gz LQRUQUQAUQSFMF-LADRWXRNSA-N 2 0 339.524 3.238 20 0 EGADRP Cc1csc([C@H]2C[C@@H]3CC[N@@H+](C4CCC([NH+](C)C)CC4)C[C@H]3O2)n1 ZINC001168319817 1383871865 /nfs/dbraw/zinc/87/18/65/1383871865.db2.gz ZPVXRTZWFJDENU-VVLHZNOGSA-N 2 0 349.544 3.476 20 0 EGADRP COc1ccccc1O[C@@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323267 1383872144 /nfs/dbraw/zinc/87/21/44/1383872144.db2.gz XABUWBWVXNVHMO-DAWZGUTISA-N 2 0 332.488 3.411 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324651 1383873246 /nfs/dbraw/zinc/87/32/46/1383873246.db2.gz SQASTJVSXLEHCE-NUWOQIAWSA-N 2 0 339.524 3.237 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001168335229 1383876250 /nfs/dbraw/zinc/87/62/50/1383876250.db2.gz CBIMAKKXVFPJIY-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP Brc1ccccc1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353759 1383880423 /nfs/dbraw/zinc/88/04/23/1383880423.db2.gz SSNNXWDIJQDDGH-UHFFFAOYSA-N 2 0 337.305 3.456 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001168346419 1383880516 /nfs/dbraw/zinc/88/05/16/1383880516.db2.gz YWEZDDKGJLTHCK-MRXNPFEDSA-N 2 0 349.494 3.103 20 0 EGADRP CN(CCCC[NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001168355843 1383881779 /nfs/dbraw/zinc/88/17/79/1383881779.db2.gz CKGWGMKKXVZCKG-UHFFFAOYSA-N 2 0 339.524 3.098 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168371611 1383887585 /nfs/dbraw/zinc/88/75/85/1383887585.db2.gz PJQZJHNNIBIXKL-PGRDOPGGSA-N 2 0 341.543 3.361 20 0 EGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387786 1383891377 /nfs/dbraw/zinc/89/13/77/1383891377.db2.gz UJSFIKQKPPEGAV-NRFANRHFSA-N 2 0 341.543 3.315 20 0 EGADRP COC(=O)[C@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC001168399087 1383896842 /nfs/dbraw/zinc/89/68/42/1383896842.db2.gz XHFZFWJKQCJBBQ-PMACEKPBSA-N 2 0 342.483 3.097 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CCC2=CCCCC2)cc1 ZINC001168435117 1383905880 /nfs/dbraw/zinc/90/58/80/1383905880.db2.gz WNABZKZFUIWBLU-UHFFFAOYSA-N 2 0 343.515 3.348 20 0 EGADRP C[C@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001168466094 1383914630 /nfs/dbraw/zinc/91/46/30/1383914630.db2.gz CVCIQKWLFDBLCO-QGZVFWFLSA-N 2 0 348.506 3.485 20 0 EGADRP COc1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3CCC[N@H+](C)C3)CCO2)cc1 ZINC001168591185 1383944063 /nfs/dbraw/zinc/94/40/63/1383944063.db2.gz UDLUZZYTWQOEJP-QRFRQXIXSA-N 2 0 332.488 3.237 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)C(C)C ZINC001168667534 1383964828 /nfs/dbraw/zinc/96/48/28/1383964828.db2.gz WDTXYXIFKDDGAJ-VQTJNVASSA-N 2 0 345.531 3.136 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CCCC1CCCC1)C(C)C ZINC001168666190 1383964904 /nfs/dbraw/zinc/96/49/04/1383964904.db2.gz AJKYYPWGHBVJBQ-IBGZPJMESA-N 2 0 339.568 3.419 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168734476 1383984655 /nfs/dbraw/zinc/98/46/55/1383984655.db2.gz HKCJONANAGUBPR-KRWDZBQOSA-N 2 0 337.939 3.013 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC001307421525 1383987010 /nfs/dbraw/zinc/98/70/10/1383987010.db2.gz UDRXJWMOGANAEC-OALUTQOASA-N 2 0 338.536 3.410 20 0 EGADRP COC(=O)C1(C)CCC([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001168767573 1383997038 /nfs/dbraw/zinc/99/70/38/1383997038.db2.gz KCIIYMFSZYOKGF-UHFFFAOYSA-N 2 0 348.462 3.197 20 0 EGADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1CO ZINC001307951545 1384061686 /nfs/dbraw/zinc/06/16/86/1384061686.db2.gz KMEQGTRAXTZEPE-DENIHFKCSA-N 2 0 344.543 3.282 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001169081290 1384103997 /nfs/dbraw/zinc/10/39/97/1384103997.db2.gz PZGMOSSMTBLYHM-JJTUDDRGSA-N 2 0 337.508 3.037 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169092887 1384105709 /nfs/dbraw/zinc/10/57/09/1384105709.db2.gz DNUREHYZSKFPJM-WKCHPHFGSA-N 3 0 327.516 3.113 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001169098659 1384106930 /nfs/dbraw/zinc/10/69/30/1384106930.db2.gz KRTZJBGFRTVZAD-ACDBMABISA-N 2 0 331.479 3.005 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001169109462 1384108696 /nfs/dbraw/zinc/10/86/96/1384108696.db2.gz IUDJJRGSFUTOAC-OKYOBFRVSA-N 2 0 333.907 3.129 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCCC1)C2 ZINC001169124998 1384110277 /nfs/dbraw/zinc/11/02/77/1384110277.db2.gz VZVSRLZKSWZPDN-OSYLJGHBSA-N 2 0 336.520 3.493 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001169137563 1384111941 /nfs/dbraw/zinc/11/19/41/1384111941.db2.gz DBBMTAMXSKATFN-BWTSREIZSA-N 2 0 348.494 3.169 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)OCCc1ccccc13)C2 ZINC001169145495 1384114262 /nfs/dbraw/zinc/11/42/62/1384114262.db2.gz MSUIQQMTXXSMMV-BWTSREIZSA-N 2 0 326.484 3.176 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153236 1384115712 /nfs/dbraw/zinc/11/57/12/1384115712.db2.gz IATQWFXNWIETGQ-OCVXTVMPSA-N 2 0 341.543 3.454 20 0 EGADRP CC[NH+]1CCC([NH2+]CC2(Cc3cccc(OC)c3)CCOCC2)CC1 ZINC001169238881 1384126222 /nfs/dbraw/zinc/12/62/22/1384126222.db2.gz NNEWCMOFLZFHOE-UHFFFAOYSA-N 2 0 346.515 3.108 20 0 EGADRP CC[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC001169244148 1384126771 /nfs/dbraw/zinc/12/67/71/1384126771.db2.gz DJRGYUFROXXBMD-QUCCMNQESA-N 2 0 329.532 3.219 20 0 EGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001169446961 1384149095 /nfs/dbraw/zinc/14/90/95/1384149095.db2.gz QDULDLKDOSQLPP-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001308896529 1384157687 /nfs/dbraw/zinc/15/76/87/1384157687.db2.gz BDVLNGJMBRFAIE-RXVVDRJESA-N 3 0 329.532 3.076 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3ncccc32)nc1 ZINC001169706797 1384175752 /nfs/dbraw/zinc/17/57/52/1384175752.db2.gz UTALRZCFJBXGPS-QGZVFWFLSA-N 2 0 335.455 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001170221999 1384268934 /nfs/dbraw/zinc/26/89/34/1384268934.db2.gz HQHJQPKFYZKNRK-KRWDZBQOSA-N 2 0 347.547 3.483 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527493 1384335248 /nfs/dbraw/zinc/33/52/48/1384335248.db2.gz YKHIFJBTDFPQPJ-OWYHZJEWSA-N 2 0 348.462 3.239 20 0 EGADRP CNc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170528504 1384336099 /nfs/dbraw/zinc/33/60/99/1384336099.db2.gz RGIHQEITBSLQBU-UHFFFAOYSA-N 2 0 349.482 3.033 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001170784158 1384384370 /nfs/dbraw/zinc/38/43/70/1384384370.db2.gz FNLQOUASTADORL-ICSRJNTNSA-N 2 0 345.531 3.498 20 0 EGADRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCc2ccc(Br)cc2C1 ZINC001170849506 1384397702 /nfs/dbraw/zinc/39/77/02/1384397702.db2.gz MJHVKFQSOKIWGA-INIZCTEOSA-N 2 0 325.294 3.366 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]CC1CCCCC1)c1ccccc1 ZINC001170868883 1384401852 /nfs/dbraw/zinc/40/18/52/1384401852.db2.gz VNSFSAGURDYWNX-HXUWFJFHSA-N 2 0 345.531 3.356 20 0 EGADRP [NH3+]CCC[C@H]([NH3+])Nc1nc2c(Cl)cc(Cl)cc2nc1Cl ZINC001170899491 1384407957 /nfs/dbraw/zinc/40/79/57/1384407957.db2.gz ZILMYIJBAMTFLM-SECBINFHSA-N 2 0 334.638 3.026 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC001170968271 1384419955 /nfs/dbraw/zinc/41/99/55/1384419955.db2.gz CJRDFHZODLKTRT-SFHVURJKSA-N 2 0 346.490 3.164 20 0 EGADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171031064 1384433281 /nfs/dbraw/zinc/43/32/81/1384433281.db2.gz SALZWFHEHMIWMY-BZUAXINKSA-N 2 0 334.891 3.168 20 0 EGADRP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235017 1384475961 /nfs/dbraw/zinc/47/59/61/1384475961.db2.gz BPWNCSAELIFZKR-MRXNPFEDSA-N 2 0 325.541 3.172 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171248946 1384478858 /nfs/dbraw/zinc/47/88/58/1384478858.db2.gz ZFQPEWPFPJJBJA-ZWKOTPCHSA-N 2 0 325.541 3.314 20 0 EGADRP Fc1ccc2cnc(NCc3ccccc3N3CC[NH2+]CC3)cc2c1 ZINC001171283691 1384485232 /nfs/dbraw/zinc/48/52/32/1384485232.db2.gz YDJRWRZHDCJMEF-UHFFFAOYSA-N 2 0 336.414 3.396 20 0 EGADRP [NH3+]CCc1cc2ccccc2n1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001171304293 1384490297 /nfs/dbraw/zinc/49/02/97/1384490297.db2.gz GOPMLDCXLCKRDW-UHFFFAOYSA-N 2 0 349.478 3.400 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1)[NH+](C)C ZINC001171358466 1384501372 /nfs/dbraw/zinc/50/13/72/1384501372.db2.gz HLBMANVOJFJBJJ-AEFFLSMTSA-N 2 0 325.541 3.027 20 0 EGADRP [NH3+]C[C@@H]1COc2ccccc2N1c1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001171398246 1384512886 /nfs/dbraw/zinc/51/28/86/1384512886.db2.gz SKXPEDNTRVFOOR-QGZVFWFLSA-N 2 0 341.430 3.279 20 0 EGADRP Fc1cc2c(cc1F)C[C@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171477108 1384534941 /nfs/dbraw/zinc/53/49/41/1384534941.db2.gz QYOIRVWLWXNEFT-QGZVFWFLSA-N 2 0 329.394 3.039 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001171508444 1384544839 /nfs/dbraw/zinc/54/48/39/1384544839.db2.gz DQLDWEHNGIFLQR-PKOBYXMFSA-N 2 0 337.552 3.482 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1)[NH+](C)C ZINC001171509736 1384546402 /nfs/dbraw/zinc/54/64/02/1384546402.db2.gz UEVAOOYLIQELGL-FUHWJXTLSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001171538786 1384556134 /nfs/dbraw/zinc/55/61/34/1384556134.db2.gz ONCOEDUNWCMJTK-ICSRJNTNSA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)c1ccc(C[NH2+]CCCNC(=O)CCCC[NH+](C)C)cc1 ZINC001171579186 1384570437 /nfs/dbraw/zinc/57/04/37/1384570437.db2.gz OVIFBODGANICGR-UHFFFAOYSA-N 2 0 333.520 3.138 20 0 EGADRP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171593655 1384573743 /nfs/dbraw/zinc/57/37/43/1384573743.db2.gz QARSPOIADKIDMC-OWCLPIDISA-N 2 0 341.540 3.327 20 0 EGADRP C[NH+]1C(C)(C)CC([NH2+]CCC(=O)OCc2ccccc2)CC1(C)C ZINC001171623851 1384582859 /nfs/dbraw/zinc/58/28/59/1384582859.db2.gz HQOOYYPMIWUCBN-UHFFFAOYSA-N 2 0 332.488 3.361 20 0 EGADRP Cc1c(C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)ccc2c[nH+]cn21 ZINC001171629598 1384585450 /nfs/dbraw/zinc/58/54/50/1384585450.db2.gz PUBYBDHIMFIZHP-VZUFXWRPSA-N 2 0 348.878 3.273 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646290 1384591319 /nfs/dbraw/zinc/59/13/19/1384591319.db2.gz LDFWKAPWVXMVMB-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccc(CC[C@H](C)[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001171679615 1384600192 /nfs/dbraw/zinc/60/01/92/1384600192.db2.gz LZCASCNGUJUEGO-FQEVSTJZSA-N 2 0 329.532 3.030 20 0 EGADRP C[C@H]1C[C@H](N(C(N)=[NH2+])c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC001171727467 1384615640 /nfs/dbraw/zinc/61/56/40/1384615640.db2.gz CTPRQFRSNYLLMI-KSSFIOAISA-N 2 0 326.419 3.189 20 0 EGADRP C[C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171732588 1384618606 /nfs/dbraw/zinc/61/86/06/1384618606.db2.gz CRIWNUFLTWMIHM-LAUBAEHRSA-N 2 0 327.516 3.113 20 0 EGADRP C[C@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC001171759031 1384626739 /nfs/dbraw/zinc/62/67/39/1384626739.db2.gz FTHFAFXTFZPLPT-AZUAARDMSA-N 2 0 327.516 3.067 20 0 EGADRP C[C@H]1C[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171759409 1384627324 /nfs/dbraw/zinc/62/73/24/1384627324.db2.gz JIXOWKZWUNZRLK-TYPHKJRUSA-N 2 0 327.516 3.210 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812245 1384646549 /nfs/dbraw/zinc/64/65/49/1384646549.db2.gz NIZBFZPXMODTJP-JKSUJKDBSA-N 2 0 330.476 3.259 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171923458 1384683404 /nfs/dbraw/zinc/68/34/04/1384683404.db2.gz GQTFNCJJGNYRGK-KRWDZBQOSA-N 2 0 333.520 3.077 20 0 EGADRP C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929033 1384685137 /nfs/dbraw/zinc/68/51/37/1384685137.db2.gz CMQDHCMFIAGONP-RCLKMUNOSA-N 2 0 343.943 3.268 20 0 EGADRP Cc1cnc(CC[NH3+])n1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963912 1384697428 /nfs/dbraw/zinc/69/74/28/1384697428.db2.gz FUILUDOFGYUANY-GOSISDBHSA-N 2 0 326.488 3.308 20 0 EGADRP CC1(C)C[C@@H](N2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985776 1384703979 /nfs/dbraw/zinc/70/39/79/1384703979.db2.gz ZQFJIVXGRANGPX-VQTJNVASSA-N 2 0 327.516 3.210 20 0 EGADRP CCOC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989122 1384705407 /nfs/dbraw/zinc/70/54/07/1384705407.db2.gz YGDKIEKWQBDSBA-SFHVURJKSA-N 2 0 332.488 3.315 20 0 EGADRP CN(CC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988502 1384706602 /nfs/dbraw/zinc/70/66/02/1384706602.db2.gz SDNWKMRJOJOEAU-FQEVSTJZSA-N 2 0 329.532 3.457 20 0 EGADRP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064601 1384715174 /nfs/dbraw/zinc/71/51/74/1384715174.db2.gz DHGGJKGUVXHFBN-OUUBHVDSSA-N 2 0 328.500 3.321 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068385 1384715781 /nfs/dbraw/zinc/71/57/81/1384715781.db2.gz QKOMLESSZABDBE-JRSUCEMESA-N 2 0 328.500 3.323 20 0 EGADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC001172071215 1384718086 /nfs/dbraw/zinc/71/80/86/1384718086.db2.gz DASOPOBSJHWIID-LNRXMEIDSA-N 2 0 339.527 3.352 20 0 EGADRP Cc1cccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)n1 ZINC001172112063 1384729208 /nfs/dbraw/zinc/72/92/08/1384729208.db2.gz RBPABHVAAUPWEE-LDLYASANSA-N 2 0 343.515 3.043 20 0 EGADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCC1)C2 ZINC001172114062 1384730930 /nfs/dbraw/zinc/73/09/30/1384730930.db2.gz OLZLJERRRLOLJP-OSYLJGHBSA-N 2 0 336.520 3.493 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001316994991 1384751861 /nfs/dbraw/zinc/75/18/61/1384751861.db2.gz MVQNWDRUHGMRBJ-LJQANCHMSA-N 2 0 347.547 3.023 20 0 EGADRP COCCC[NH+]1CCC([NH2+]CCc2cccc(Cl)c2F)CC1 ZINC001172248449 1384756111 /nfs/dbraw/zinc/75/61/11/1384756111.db2.gz ILEVYRJNWJYTOR-UHFFFAOYSA-N 2 0 328.859 3.112 20 0 EGADRP CC(C)COCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172467540 1384799226 /nfs/dbraw/zinc/79/92/26/1384799226.db2.gz KZONZXLFKREPJH-SFHVURJKSA-N 2 0 333.520 3.334 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001172621757 1384821364 /nfs/dbraw/zinc/82/13/64/1384821364.db2.gz GKEIUDNTTUAJIG-MSOLQXFVSA-N 2 0 334.504 3.059 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001172779757 1384850652 /nfs/dbraw/zinc/85/06/52/1384850652.db2.gz HBHXQTHCBMMUOK-WMZOPIPTSA-N 2 0 330.472 3.058 20 0 EGADRP COC(=O)[C@@H]1CCC[C@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)CC1 ZINC001172803826 1384856087 /nfs/dbraw/zinc/85/60/87/1384856087.db2.gz QZHVUJIRFZXMSP-SJORKVTESA-N 2 0 345.487 3.070 20 0 EGADRP CC[N@H+](C)C1CCN(C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172815833 1384858340 /nfs/dbraw/zinc/85/83/40/1384858340.db2.gz SHKFDVRFFHFUDW-JWTNVVGKSA-N 2 0 349.519 3.109 20 0 EGADRP COC1CC[NH+](C2CC[NH+]([C@H]3CCc4ccc(C)cc4C3)CC2)CC1 ZINC001172836740 1384862716 /nfs/dbraw/zinc/86/27/16/1384862716.db2.gz CQBIYCCJDZOTNA-NRFANRHFSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001172956568 1384889675 /nfs/dbraw/zinc/88/96/75/1384889675.db2.gz CQFAXQMLVKJHNM-FHERZECASA-N 2 0 327.513 3.129 20 0 EGADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173051877 1384900971 /nfs/dbraw/zinc/90/09/71/1384900971.db2.gz AKIYTXSGDQBFDN-VXLLPVPCSA-N 2 0 339.524 3.272 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054907 1384902995 /nfs/dbraw/zinc/90/29/95/1384902995.db2.gz QNUBXIGVAPDXBZ-SJORKVTESA-N 2 0 341.540 3.486 20 0 EGADRP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173061526 1384904330 /nfs/dbraw/zinc/90/43/30/1384904330.db2.gz DYNWCOOKYGUXOO-HUUCEWRRSA-N 2 0 327.513 3.094 20 0 EGADRP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001173065601 1384906139 /nfs/dbraw/zinc/90/61/39/1384906139.db2.gz XARQYUMYDDBSEO-LUKYLMHMSA-N 2 0 339.524 3.237 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001173102197 1384914794 /nfs/dbraw/zinc/91/47/94/1384914794.db2.gz UOMNNYKJAPMPEC-GPJFCIFZSA-N 2 0 343.515 3.030 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC1 ZINC001173102679 1384914944 /nfs/dbraw/zinc/91/49/44/1384914944.db2.gz CQCJHIOJTQYWKD-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC001173105412 1384915625 /nfs/dbraw/zinc/91/56/25/1384915625.db2.gz SLOVJRBDGVOFSD-UHFFFAOYSA-N 2 0 327.513 3.144 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)Cc2ccc(Cl)cc2)CC1 ZINC001173103727 1384915667 /nfs/dbraw/zinc/91/56/67/1384915667.db2.gz QENAJFCCFZUDBE-XBMUEBEBSA-N 2 0 338.923 3.486 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001173108326 1384916095 /nfs/dbraw/zinc/91/60/95/1384916095.db2.gz BQPDLGIBDIKPHO-LBDPXKHJSA-N 2 0 336.442 3.275 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC001173106780 1384916168 /nfs/dbraw/zinc/91/61/68/1384916168.db2.gz FLBOXMGDOLUUAA-JLAWEPINSA-N 2 0 330.520 3.293 20 0 EGADRP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccc(C(=O)OC)cc3C2)CC1 ZINC001173112641 1384917110 /nfs/dbraw/zinc/91/71/10/1384917110.db2.gz AYBMSFDBSCTGFJ-UHFFFAOYSA-N 2 0 330.472 3.442 20 0 EGADRP c1nc2c(s1)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)CC2 ZINC001173136507 1384921699 /nfs/dbraw/zinc/92/16/99/1384921699.db2.gz PWWGORHSJFISMF-WBVHZDCISA-N 2 0 331.529 3.411 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2ncsc2C1 ZINC001173144199 1384922858 /nfs/dbraw/zinc/92/28/58/1384922858.db2.gz SMXYBOXXIZCGOZ-ROUUACIJSA-N 2 0 341.524 3.454 20 0 EGADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)CO2 ZINC001173153868 1384925616 /nfs/dbraw/zinc/92/56/16/1384925616.db2.gz RCMIHZAYTURCSR-BXTJHSDWSA-N 2 0 332.488 3.132 20 0 EGADRP CCSC[C@H](C)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001173298292 1384953541 /nfs/dbraw/zinc/95/35/41/1384953541.db2.gz NGZKXZWTCQOGSX-DJZRFWRSSA-N 2 0 326.490 3.264 20 0 EGADRP CC(C)([NH3+])C(C)(C)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173414048 1384967963 /nfs/dbraw/zinc/96/79/63/1384967963.db2.gz XLVRQSKUVTZXPL-UHFFFAOYSA-N 2 0 337.895 3.050 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001317196322 1384970100 /nfs/dbraw/zinc/97/01/00/1384970100.db2.gz TVWDLJRIPCDCKL-QUCCMNQESA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001317201272 1384978453 /nfs/dbraw/zinc/97/84/53/1384978453.db2.gz AQZHRBNMKRADIH-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP CCOC(=O)[C@@H]1CC12CCC([NH2+]CCC[NH+]1CCC(C)CC1)CC2 ZINC001173599557 1384985451 /nfs/dbraw/zinc/98/54/51/1384985451.db2.gz PCIKPNFCIIYOCR-FDYSRKEFSA-N 2 0 336.520 3.210 20 0 EGADRP COC(=O)c1ccc(C[C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC001173709359 1385006142 /nfs/dbraw/zinc/00/61/42/1385006142.db2.gz NHHDFFTUQQMAJP-KRWDZBQOSA-N 2 0 332.488 3.116 20 0 EGADRP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001173781554 1385016150 /nfs/dbraw/zinc/01/61/50/1385016150.db2.gz MEYCKIDHHIQNDO-MUYFXNHWSA-N 2 0 330.472 3.179 20 0 EGADRP CC(=O)Oc1ccc(C2CCC([NH+]3CCC(C)([NH3+])CC3)CC2)cc1 ZINC001173785663 1385016845 /nfs/dbraw/zinc/01/68/45/1385016845.db2.gz KGAFWUJRGWECGD-UHFFFAOYSA-N 2 0 330.472 3.451 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccc(N3CCCC3)c2)CC1 ZINC001174488720 1385113263 /nfs/dbraw/zinc/11/32/63/1385113263.db2.gz TXLDDURRLSBUAT-UHFFFAOYSA-N 2 0 337.471 3.177 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174880750 1385164224 /nfs/dbraw/zinc/16/42/24/1385164224.db2.gz GVYHYIFMWAJRPD-FXAWDEMLSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174882886 1385164891 /nfs/dbraw/zinc/16/48/91/1385164891.db2.gz XOZDGRMVFMUBPT-PKOBYXMFSA-N 2 0 337.552 3.457 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906380 1385168787 /nfs/dbraw/zinc/16/87/87/1385168787.db2.gz STCOXDZYJWKMIT-HBFSDRIKSA-N 2 0 345.531 3.182 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928615 1385170857 /nfs/dbraw/zinc/17/08/57/1385170857.db2.gz LMZBKPLVPNPYQA-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1occc1C[NH+](C)C ZINC001174927264 1385170984 /nfs/dbraw/zinc/17/09/84/1385170984.db2.gz CALIKJYHRHBZAZ-MRXNPFEDSA-N 2 0 349.519 3.410 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1occc1C[NH+](C)C ZINC001174930318 1385171166 /nfs/dbraw/zinc/17/11/66/1385171166.db2.gz WQSBJFNENFFIOU-AQFXKWCLSA-N 2 0 349.519 3.266 20 0 EGADRP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949022 1385173070 /nfs/dbraw/zinc/17/30/70/1385173070.db2.gz OTIJVMPADUCGBK-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174963009 1385175439 /nfs/dbraw/zinc/17/54/39/1385175439.db2.gz WUVULYAMLJTTFE-ZEVQVBBLSA-N 2 0 325.541 3.339 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001175041339 1385185346 /nfs/dbraw/zinc/18/53/46/1385185346.db2.gz OTOGXZLUIZQPRZ-SFHVURJKSA-N 2 0 345.531 3.101 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)CC[NH+](C)C ZINC001175049940 1385186595 /nfs/dbraw/zinc/18/65/95/1385186595.db2.gz ZWBZQNCHDAQRDH-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001317500862 1385202860 /nfs/dbraw/zinc/20/28/60/1385202860.db2.gz CPUILGDWMBPUJB-FXAWDEMLSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273246 1385237005 /nfs/dbraw/zinc/23/70/05/1385237005.db2.gz QEBZNDBPJWLIPP-SFHVURJKSA-N 2 0 345.531 3.183 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175296440 1385242162 /nfs/dbraw/zinc/24/21/62/1385242162.db2.gz OUNCLUHVCWNFNW-LJQANCHMSA-N 2 0 347.547 3.226 20 0 EGADRP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001175390558 1385272874 /nfs/dbraw/zinc/27/28/74/1385272874.db2.gz ZLLYWGMZYFWZCA-RLLQIKCJSA-N 2 0 345.531 3.006 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](CC)c1ccccc1 ZINC001317542615 1385283401 /nfs/dbraw/zinc/28/34/01/1385283401.db2.gz FMEZRZNXYPGVAX-UXHICEINSA-N 2 0 345.531 3.450 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175565394 1385333546 /nfs/dbraw/zinc/33/35/46/1385333546.db2.gz KKAUDJSTOZWGPJ-MSOLQXFVSA-N 2 0 325.541 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001175769942 1385399917 /nfs/dbraw/zinc/39/99/17/1385399917.db2.gz WIFYSWBZWPMSIY-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001175787274 1385405656 /nfs/dbraw/zinc/40/56/56/1385405656.db2.gz TVNBVFWNBPKJIU-QZTJIDSGSA-N 2 0 327.557 3.275 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873016 1385426974 /nfs/dbraw/zinc/42/69/74/1385426974.db2.gz JFBXQVWSXAICBM-WMZOPIPTSA-N 2 0 325.541 3.029 20 0 EGADRP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175871842 1385426456 /nfs/dbraw/zinc/42/64/56/1385426456.db2.gz CUMKERSOFZPJPC-GOSISDBHSA-N 2 0 339.568 3.419 20 0 EGADRP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184993 1385504788 /nfs/dbraw/zinc/50/47/88/1385504788.db2.gz RDUZGRIMKIZGPT-OOFWQKGWSA-N 2 0 335.536 3.093 20 0 EGADRP C[NH+](C)CCOc1ccc(Nc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001176224345 1385517887 /nfs/dbraw/zinc/51/78/87/1385517887.db2.gz TYHDWOCWHHDKOH-UHFFFAOYSA-N 2 0 326.444 3.366 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001176269468 1385532271 /nfs/dbraw/zinc/53/22/71/1385532271.db2.gz UEQXUFJAVXAUNQ-ADKAHSJRSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176268312 1385532573 /nfs/dbraw/zinc/53/25/73/1385532573.db2.gz IVJUAUCZQPWRBW-QGZVFWFLSA-N 2 0 339.568 3.419 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318904 1385550249 /nfs/dbraw/zinc/55/02/49/1385550249.db2.gz POTOZAZOYOCCRZ-IBGZPJMESA-N 2 0 345.531 3.418 20 0 EGADRP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317947993 1385581792 /nfs/dbraw/zinc/58/17/92/1385581792.db2.gz LYTBPUNWJXXDLZ-HXUWFJFHSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565103 1385626792 /nfs/dbraw/zinc/62/67/92/1385626792.db2.gz SKHWUQUYIPOQGJ-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C[NH+]1CCCC1 ZINC001176591623 1385634487 /nfs/dbraw/zinc/63/44/87/1385634487.db2.gz NBGPGYUVHPQEAX-IRXDYDNUSA-N 2 0 349.494 3.247 20 0 EGADRP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c(C(C)(C)C)c3)cn2)CC1 ZINC001176654941 1385647101 /nfs/dbraw/zinc/64/71/01/1385647101.db2.gz XYGGBUAQTQIQCF-UHFFFAOYSA-N 2 0 325.460 3.270 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746141 1385680372 /nfs/dbraw/zinc/68/03/72/1385680372.db2.gz FWYAKLMLSSWXQJ-INIZCTEOSA-N 2 0 331.504 3.036 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCF)[NH+]1CCCCC1 ZINC001176753792 1385683742 /nfs/dbraw/zinc/68/37/42/1385683742.db2.gz NDBCWJCATYJHDN-MSOLQXFVSA-N 2 0 343.531 3.121 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001176753916 1385684276 /nfs/dbraw/zinc/68/42/76/1385684276.db2.gz OFLUJRJNIJFIHB-GOSISDBHSA-N 2 0 333.520 3.100 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)CCCC[NH2+]CC2CC2)o1 ZINC001176809784 1385709674 /nfs/dbraw/zinc/70/96/74/1385709674.db2.gz CUWSBMRYILYKGJ-MRXNPFEDSA-N 2 0 349.519 3.410 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001318487950 1385720819 /nfs/dbraw/zinc/72/08/19/1385720819.db2.gz YEYVFGPATITGHD-XUVXKRRUSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001176843797 1385721649 /nfs/dbraw/zinc/72/16/49/1385721649.db2.gz BAXSQNHAYHQDKR-IRXDYDNUSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001176843795 1385721661 /nfs/dbraw/zinc/72/16/61/1385721661.db2.gz BAXSQNHAYHQDKR-CALCHBBNSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001176856780 1385725663 /nfs/dbraw/zinc/72/56/63/1385725663.db2.gz NRZAMTFIHDDBMX-YRCPKEQFSA-N 2 0 343.515 3.059 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001176884531 1385730888 /nfs/dbraw/zinc/73/08/88/1385730888.db2.gz LSEWERFPWKXFFA-IBGZPJMESA-N 2 0 331.504 3.110 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001176938707 1385748648 /nfs/dbraw/zinc/74/86/48/1385748648.db2.gz WHBUFNWBORFKHA-GOSISDBHSA-N 2 0 331.504 3.028 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001176948198 1385752129 /nfs/dbraw/zinc/75/21/29/1385752129.db2.gz KFCIOMKBNPXBOP-UHFFFAOYSA-N 2 0 343.515 3.348 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001176991997 1385766476 /nfs/dbraw/zinc/76/64/76/1385766476.db2.gz GVHRJWRQKNSHKP-PKOBYXMFSA-N 2 0 331.504 3.026 20 0 EGADRP CC[C@H](CNC(=O)Cc1[nH]cnc1C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001318592589 1385777113 /nfs/dbraw/zinc/77/71/13/1385777113.db2.gz HLXZVGXSUZBGLP-BLLLJJGKSA-N 2 0 348.878 3.160 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnc3ccc(Cl)cn23)c1 ZINC001177231424 1385877067 /nfs/dbraw/zinc/87/70/67/1385877067.db2.gz PRMKPMCAZWXOLC-UHFFFAOYSA-N 2 0 328.847 3.339 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N(CCC[NH2+]C(C)C)CC2CCCC2)CC[N@@H+]1C ZINC001177319456 1385912701 /nfs/dbraw/zinc/91/27/01/1385912701.db2.gz MAQFXCIQFHHRKW-RBUKOAKNSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]Cc1ccccc1 ZINC001698621229 1406258783 /nfs/dbraw/zinc/25/87/83/1406258783.db2.gz SUUACQSNCHCPMV-FQEVSTJZSA-N 2 0 339.483 3.046 20 0 EGADRP C[N@H+](CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1)C1CCC1 ZINC001177345254 1385922224 /nfs/dbraw/zinc/92/22/24/1385922224.db2.gz XMKSRIFXRWKHHH-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001177434078 1385955694 /nfs/dbraw/zinc/95/56/94/1385955694.db2.gz PXJIQXAQIDQOKQ-GOSISDBHSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001319113317 1385964290 /nfs/dbraw/zinc/96/42/90/1385964290.db2.gz IUWDDIQEDHBXNT-MOPGFXCFSA-N 2 0 337.552 3.266 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001177463117 1385965740 /nfs/dbraw/zinc/96/57/40/1385965740.db2.gz OTEFYDUQTKUHHS-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177466724 1385966548 /nfs/dbraw/zinc/96/65/48/1385966548.db2.gz CZVPMXCRSDZSPP-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001177484868 1385974550 /nfs/dbraw/zinc/97/45/50/1385974550.db2.gz LHTWCBIZDSBELH-HDICACEKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[C@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488901 1385976015 /nfs/dbraw/zinc/97/60/15/1385976015.db2.gz OBGZZGFOONCZML-SFHVURJKSA-N 2 0 343.531 3.073 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177488751 1385976086 /nfs/dbraw/zinc/97/60/86/1385976086.db2.gz KSFXFVXUCFXRCJ-HXUWFJFHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)CCCC[NH+]1CCCC1 ZINC001177492482 1385978035 /nfs/dbraw/zinc/97/80/35/1385978035.db2.gz JQIWISBCOOBOTC-UHFFFAOYSA-N 2 0 337.552 3.271 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC1([NH2+]CC(C)C)CCCC1)c1ccccc1 ZINC001319386287 1386096223 /nfs/dbraw/zinc/09/62/23/1386096223.db2.gz XKVXAFZXZLKRTP-LJQANCHMSA-N 2 0 345.531 3.354 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)[C@H]3CCC[N@@H+]3C)CCCC2)c1 ZINC001698628452 1406271037 /nfs/dbraw/zinc/27/10/37/1406271037.db2.gz ULLYVCQCXPHXGK-PKOBYXMFSA-N 2 0 343.515 3.169 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001178045228 1386115068 /nfs/dbraw/zinc/11/50/68/1386115068.db2.gz GVPOZYYYXCSZRG-FQEVSTJZSA-N 2 0 345.531 3.164 20 0 EGADRP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC001178291534 1386181781 /nfs/dbraw/zinc/18/17/81/1386181781.db2.gz YLZLXOSEANPNNG-GOSISDBHSA-N 2 0 330.497 3.303 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178468143 1386226197 /nfs/dbraw/zinc/22/61/97/1386226197.db2.gz PJXZKGCHFOOBDC-UEKDZROGSA-N 2 0 337.552 3.482 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178467746 1386226474 /nfs/dbraw/zinc/22/64/74/1386226474.db2.gz HKLPZYOEUZNYMN-GOSISDBHSA-N 2 0 343.531 3.265 20 0 EGADRP O=C(NCCCCCC[NH2+]CC1CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001178502431 1386237392 /nfs/dbraw/zinc/23/73/92/1386237392.db2.gz QLCXZESQSVUGBP-FQEVSTJZSA-N 2 0 349.563 3.175 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001319714904 1386265621 /nfs/dbraw/zinc/26/56/21/1386265621.db2.gz PZAHXSVAEDTMHG-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001178698720 1386281505 /nfs/dbraw/zinc/28/15/05/1386281505.db2.gz RTWQYSKFWQGPLE-XLIONFOSSA-N 2 0 345.531 3.354 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178729353 1386292010 /nfs/dbraw/zinc/29/20/10/1386292010.db2.gz VHBKJEBNACILQT-PXPVJAHISA-N 2 0 337.552 3.483 20 0 EGADRP CC(C)[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001178755549 1386295425 /nfs/dbraw/zinc/29/54/25/1386295425.db2.gz UTTUSOOEIKYABM-KRWDZBQOSA-N 2 0 339.549 3.101 20 0 EGADRP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178755621 1386295730 /nfs/dbraw/zinc/29/57/30/1386295730.db2.gz YLKRCAPNXBDBHM-FQEVSTJZSA-N 2 0 347.547 3.347 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178810287 1386313703 /nfs/dbraw/zinc/31/37/03/1386313703.db2.gz BHJBENBGEDMPBW-OALUTQOASA-N 2 0 337.552 3.460 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178810285 1386314341 /nfs/dbraw/zinc/31/43/41/1386314341.db2.gz BHJBENBGEDMPBW-MOPGFXCFSA-N 2 0 337.552 3.460 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21)[NH+](C)C ZINC001178815643 1386315636 /nfs/dbraw/zinc/31/56/36/1386315636.db2.gz IBTIGHIJPMANBU-WOJBJXKFSA-N 2 0 345.531 3.280 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001178827399 1386319665 /nfs/dbraw/zinc/31/96/65/1386319665.db2.gz ILBGQYCUENMNQC-LJQANCHMSA-N 2 0 349.494 3.076 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178894691 1386341090 /nfs/dbraw/zinc/34/10/90/1386341090.db2.gz IALCYGNJJRGSQI-UHFFFAOYSA-N 2 0 348.535 3.220 20 0 EGADRP CCC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001319888945 1386365618 /nfs/dbraw/zinc/36/56/18/1386365618.db2.gz RYFYHVQRWZUXCW-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179133819 1386407168 /nfs/dbraw/zinc/40/71/68/1386407168.db2.gz BGMKTXRCQMVFSS-LJQANCHMSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1CCCC1 ZINC001319946074 1386408902 /nfs/dbraw/zinc/40/89/02/1386408902.db2.gz DJISJBQKAOXEHM-LJQANCHMSA-N 2 0 337.552 3.029 20 0 EGADRP Cc1c(C(=O)NCCCCC[NH+]2CCCCC2)ccc2c[nH+]cn21 ZINC001320026385 1386460791 /nfs/dbraw/zinc/46/07/91/1386460791.db2.gz OTDHVDXTKWOKRV-UHFFFAOYSA-N 2 0 328.460 3.029 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001179357633 1386462018 /nfs/dbraw/zinc/46/20/18/1386462018.db2.gz HRVCAANXSZHZBW-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001179358098 1386462673 /nfs/dbraw/zinc/46/26/73/1386462673.db2.gz VGOCONVREFMXCC-LJQANCHMSA-N 2 0 337.552 3.175 20 0 EGADRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccc(C)c(C)c1)C1CC1)[NH+](C)C ZINC001698648949 1406297982 /nfs/dbraw/zinc/29/79/82/1406297982.db2.gz JMKWBUXMJXAVKD-PZJWPPBQSA-N 2 0 345.531 3.018 20 0 EGADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1cccc(Cl)c1 ZINC001179461320 1386487126 /nfs/dbraw/zinc/48/71/26/1386487126.db2.gz GRYZORYRPRYUQR-UHFFFAOYSA-N 2 0 339.911 3.058 20 0 EGADRP CN(CC[N@H+](C)CCC1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320084057 1386500424 /nfs/dbraw/zinc/50/04/24/1386500424.db2.gz BSXDQQFKRBPNMO-UHFFFAOYSA-N 2 0 345.531 3.332 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580616 1386521702 /nfs/dbraw/zinc/52/17/02/1386521702.db2.gz KESPRBIFVUVZCW-SFFCAUCYSA-N 2 0 337.552 3.483 20 0 EGADRP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179585486 1386523916 /nfs/dbraw/zinc/52/39/16/1386523916.db2.gz IXOMHXIWGBSBOD-PWBPZBFBSA-N 2 0 337.552 3.197 20 0 EGADRP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179587326 1386524469 /nfs/dbraw/zinc/52/44/69/1386524469.db2.gz YLNQNHAYZGDYJH-ZMBJWTFHSA-N 2 0 337.552 3.341 20 0 EGADRP C[N@H+](CC(=O)NCCCCCC[NH2+]Cc1ccccc1)CC(C)(C)C ZINC001179593165 1386526451 /nfs/dbraw/zinc/52/64/51/1386526451.db2.gz YDXFHBYEJYWXCS-UHFFFAOYSA-N 2 0 347.547 3.431 20 0 EGADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179591516 1386527044 /nfs/dbraw/zinc/52/70/44/1386527044.db2.gz VYRKFLIRVAACII-MJGOQNOKSA-N 2 0 349.563 3.031 20 0 EGADRP Cc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc2c[nH+]cn21 ZINC001320259562 1386564328 /nfs/dbraw/zinc/56/43/28/1386564328.db2.gz FDBFGBDTFCIFHQ-UHFFFAOYSA-N 2 0 340.471 3.170 20 0 EGADRP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001179746209 1386569870 /nfs/dbraw/zinc/56/98/70/1386569870.db2.gz QZCUWVFMYAZYRQ-MSOLQXFVSA-N 2 0 343.531 3.264 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179792371 1386587499 /nfs/dbraw/zinc/58/74/99/1386587499.db2.gz IEBGMCPPLFRDLQ-RBUKOAKNSA-N 2 0 337.552 3.460 20 0 EGADRP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[N@H+](C)CC)[C@H]2C)cc1 ZINC001179861460 1386609953 /nfs/dbraw/zinc/60/99/53/1386609953.db2.gz WZALGBQFGSJORV-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]C(C)C ZINC001180035605 1386675523 /nfs/dbraw/zinc/67/55/23/1386675523.db2.gz LETGRNUUGKKDKR-GOSISDBHSA-N 2 0 325.541 3.316 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001180064921 1386685372 /nfs/dbraw/zinc/68/53/72/1386685372.db2.gz ABPWTDJYPZOCFO-RBUKOAKNSA-N 2 0 337.552 3.173 20 0 EGADRP Cn1cncc1CC(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001180065396 1386685459 /nfs/dbraw/zinc/68/54/59/1386685459.db2.gz PZSHUFURIJBTNW-UHFFFAOYSA-N 2 0 348.535 3.199 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001180204230 1386732005 /nfs/dbraw/zinc/73/20/05/1386732005.db2.gz LQFQBKTUQIRYIK-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001180264542 1386749906 /nfs/dbraw/zinc/74/99/06/1386749906.db2.gz IBSWQYKWWSUAIN-LJQANCHMSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1F ZINC001180264992 1386750388 /nfs/dbraw/zinc/75/03/88/1386750388.db2.gz MDQYFLOCINFJEY-IRXDYDNUSA-N 2 0 349.494 3.105 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001180270197 1386751389 /nfs/dbraw/zinc/75/13/89/1386751389.db2.gz JJAISJGLTZZRMT-RAXLEYEMSA-N 2 0 343.515 3.062 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)c1 ZINC001180278893 1386753554 /nfs/dbraw/zinc/75/35/54/1386753554.db2.gz SJCSHPRHDRKSNW-LJQANCHMSA-N 2 0 345.531 3.418 20 0 EGADRP CC(C)CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180351722 1386771458 /nfs/dbraw/zinc/77/14/58/1386771458.db2.gz IMWJVNZGBUDIKX-QZTJIDSGSA-N 2 0 325.541 3.172 20 0 EGADRP CC/C=C/CC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180365908 1386775199 /nfs/dbraw/zinc/77/51/99/1386775199.db2.gz NWOHSEVDXJNWNK-ONEGZZNKSA-N 2 0 337.552 3.485 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001180369708 1386776568 /nfs/dbraw/zinc/77/65/68/1386776568.db2.gz UDNUBGXCMINYTM-UHFFFAOYSA-N 2 0 347.547 3.410 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001180372554 1386777651 /nfs/dbraw/zinc/77/76/51/1386777651.db2.gz BNSALFDHMADHFN-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CCCC[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180451797 1386801199 /nfs/dbraw/zinc/80/11/99/1386801199.db2.gz JOAFWOHHJQVPGS-UHFFFAOYSA-N 2 0 325.541 3.319 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001321693938 1386958679 /nfs/dbraw/zinc/95/86/79/1386958679.db2.gz VUQCOLUMQCIHIC-QZTJIDSGSA-N 2 0 345.531 3.271 20 0 EGADRP CC[NH+]1CCC(CN(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC001181487019 1387002877 /nfs/dbraw/zinc/00/28/77/1387002877.db2.gz OUOQTWXAGXKFMF-UHFFFAOYSA-N 2 0 339.474 3.060 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181745754 1387049634 /nfs/dbraw/zinc/04/96/34/1387049634.db2.gz JRWRAZWQRNLTIC-WDJFIJIBSA-N 2 0 349.563 3.291 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001181801010 1387056937 /nfs/dbraw/zinc/05/69/37/1387056937.db2.gz JUNGCFAMHHLZGK-FHHWSWPGSA-N 2 0 337.552 3.003 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001181869589 1387066759 /nfs/dbraw/zinc/06/67/59/1387066759.db2.gz WZLXFBYVAFRIRQ-IBGZPJMESA-N 2 0 337.552 3.269 20 0 EGADRP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCC1CCCCCC1)[NH+](C)C ZINC001322243194 1387116612 /nfs/dbraw/zinc/11/66/12/1387116612.db2.gz CZEXNKATZUSFNY-AEFFLSMTSA-N 2 0 325.541 3.124 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322267940 1387128706 /nfs/dbraw/zinc/12/87/06/1387128706.db2.gz AGYCUPHZQZPEEL-ICSRJNTNSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001182924073 1387247273 /nfs/dbraw/zinc/24/72/73/1387247273.db2.gz DTNFTHGEPHPDBV-HPTYGODWSA-N 2 0 337.552 3.149 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001698711640 1406353829 /nfs/dbraw/zinc/35/38/29/1406353829.db2.gz PQPHONIOUDMPHG-WGSAOQKQSA-N 2 0 349.494 3.015 20 0 EGADRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC001336785284 1389168951 /nfs/dbraw/zinc/16/89/51/1389168951.db2.gz NHODQVDIIWQYTK-WBMJQRKESA-N 2 0 328.859 3.223 20 0 EGADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336890026 1389197742 /nfs/dbraw/zinc/19/77/42/1389197742.db2.gz ZOXYNNZJADBABQ-UEXGIBASSA-N 2 0 338.499 3.343 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001698718077 1406362728 /nfs/dbraw/zinc/36/27/28/1406362728.db2.gz QJSZSDXPYZKVHZ-NXWXRZEISA-N 2 0 331.504 3.105 20 0 EGADRP Cc1nc[nH]c1CC(=O)NCCC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001698727193 1406378118 /nfs/dbraw/zinc/37/81/18/1406378118.db2.gz WERMVUXLLPRBEF-MRXNPFEDSA-N 2 0 348.535 3.161 20 0 EGADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001338450145 1389686261 /nfs/dbraw/zinc/68/62/61/1389686261.db2.gz XPRKXCGWFMSXLV-OAHLLOKOSA-N 2 0 335.467 3.317 20 0 EGADRP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001331291401 1389688782 /nfs/dbraw/zinc/68/87/82/1389688782.db2.gz WRYNXOZBKYEDNW-OXJNMPFZSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001698750533 1406401652 /nfs/dbraw/zinc/40/16/52/1406401652.db2.gz YTUUXAPXPZXHMO-XLIONFOSSA-N 2 0 345.531 3.018 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)o1 ZINC001331861768 1389891328 /nfs/dbraw/zinc/89/13/28/1389891328.db2.gz MFRGBJKHNMIVJP-UHFFFAOYSA-N 2 0 347.503 3.069 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC001340774249 1390364149 /nfs/dbraw/zinc/36/41/49/1390364149.db2.gz MELHIFJQGCPPMU-SJLPKXTDSA-N 2 0 325.541 3.158 20 0 EGADRP C[C@@H]1C[C@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]1 ZINC001340839060 1390380849 /nfs/dbraw/zinc/38/08/49/1390380849.db2.gz NYPBSHRMAZIESF-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001340866043 1390389071 /nfs/dbraw/zinc/38/90/71/1390389071.db2.gz WVTVLARBEKBXDQ-ZULIPRJHSA-N 2 0 345.531 3.261 20 0 EGADRP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC001333749431 1390391871 /nfs/dbraw/zinc/39/18/71/1390391871.db2.gz HXDWJZQBJDJKKI-UYAOXDASSA-N 2 0 327.472 3.001 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc1OC ZINC001333841889 1390420211 /nfs/dbraw/zinc/42/02/11/1390420211.db2.gz OZADHKHMQDOYOC-OKZBNKHCSA-N 2 0 332.488 3.256 20 0 EGADRP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001335133860 1390646832 /nfs/dbraw/zinc/64/68/32/1390646832.db2.gz LLANUISDDBBEJI-HRCADAONSA-N 2 0 336.549 3.151 20 0 EGADRP CC(C)c1cn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(=S)n1C ZINC001345107533 1390837886 /nfs/dbraw/zinc/83/78/86/1390837886.db2.gz BBZGPXPBOOUXBE-XHSDSOJGSA-N 2 0 336.549 3.299 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CCCCC1 ZINC001345242461 1390851005 /nfs/dbraw/zinc/85/10/05/1390851005.db2.gz INUHXEPSERCRGW-GOSISDBHSA-N 2 0 345.531 3.266 20 0 EGADRP CCCN(C(=O)CC[NH2+]C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001345465211 1390861188 /nfs/dbraw/zinc/86/11/88/1390861188.db2.gz FMKZSRNJOYABKU-UHFFFAOYSA-N 2 0 343.515 3.032 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)c2cc1C ZINC001346017150 1390901174 /nfs/dbraw/zinc/90/11/74/1390901174.db2.gz KNUKZGXNAWGPNQ-UHFFFAOYSA-N 2 0 340.467 3.375 20 0 EGADRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC001346122266 1390909332 /nfs/dbraw/zinc/90/93/32/1390909332.db2.gz DQBFKXMXNOIKAC-LJQANCHMSA-N 2 0 332.875 3.095 20 0 EGADRP CC(C)(C)[NH2+]CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001346304351 1390920711 /nfs/dbraw/zinc/92/07/11/1390920711.db2.gz AMMKOUCJYNHVCM-UHFFFAOYSA-N 2 0 335.517 3.201 20 0 EGADRP C[C@@H]1C[C@H]2CC[C@H](C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[N@@H+]2C1 ZINC001347980328 1391153784 /nfs/dbraw/zinc/15/37/84/1391153784.db2.gz ISTFIJFYDQNMIW-FUHIMQAGSA-N 2 0 347.547 3.020 20 0 EGADRP COc1ccc(Cl)cc1CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC001348842301 1391273699 /nfs/dbraw/zinc/27/36/99/1391273699.db2.gz YBZATDTWVSOYLT-GFCCVEGCSA-N 2 0 333.863 3.404 20 0 EGADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)c1 ZINC001349366674 1391323869 /nfs/dbraw/zinc/32/38/69/1391323869.db2.gz DESFYWUXPWMAAI-KVSKMBFKSA-N 2 0 329.488 3.116 20 0 EGADRP CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1)[NH+](CC)CC ZINC001698809832 1406495345 /nfs/dbraw/zinc/49/53/45/1406495345.db2.gz WTWIGJMPTXJZQS-ACBHZAAOSA-N 2 0 349.563 3.077 20 0 EGADRP Cn1c2ccccc2n(C[N@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c1=S ZINC001352759889 1391843986 /nfs/dbraw/zinc/84/39/86/1391843986.db2.gz HJCLLSWIGAYHIK-OWCLPIDISA-N 2 0 344.528 3.329 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC001353172100 1391949302 /nfs/dbraw/zinc/94/93/02/1391949302.db2.gz VREQOKWKTUWHIM-SFHVURJKSA-N 2 0 343.515 3.190 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001353338746 1391992044 /nfs/dbraw/zinc/99/20/44/1391992044.db2.gz IVKQBHQJYJAGLV-CJNGLKHVSA-N 2 0 330.394 3.060 20 0 EGADRP c1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2c(c1)CCCN2 ZINC001353584333 1392044289 /nfs/dbraw/zinc/04/42/89/1392044289.db2.gz MXHSZXGHAGSQJC-UHFFFAOYSA-N 2 0 336.483 3.446 20 0 EGADRP C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001698845702 1406546027 /nfs/dbraw/zinc/54/60/27/1406546027.db2.gz NLNNGXRLXOMBNI-QGZVFWFLSA-N 2 0 339.568 3.371 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001479347954 1392222144 /nfs/dbraw/zinc/22/21/44/1392222144.db2.gz MHOZYGCTXRNZHG-BGYRXZFFSA-N 2 0 349.563 3.317 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001480330439 1392689817 /nfs/dbraw/zinc/68/98/17/1392689817.db2.gz CUGHFQOOKWXOAK-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001480710498 1392872808 /nfs/dbraw/zinc/87/28/08/1392872808.db2.gz QXVJVMPIJXJQOM-PMACEKPBSA-N 2 0 349.563 3.460 20 0 EGADRP Cc1c(C(=O)NCC[N@@H+](C)C/C=C\c2ccccc2)ccc2c[nH+]cn21 ZINC001480884487 1392998559 /nfs/dbraw/zinc/99/85/59/1392998559.db2.gz VAAOPZDPFOUFLT-TWGQIWQCSA-N 2 0 348.450 3.018 20 0 EGADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480945942 1393039973 /nfs/dbraw/zinc/03/99/73/1393039973.db2.gz GOMKGGFXNIJXKF-AEFFLSMTSA-N 2 0 345.531 3.045 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(C)c1 ZINC001480979352 1393063818 /nfs/dbraw/zinc/06/38/18/1393063818.db2.gz GWOJRRFLWUQCCN-UYAOXDASSA-N 2 0 345.531 3.369 20 0 EGADRP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001481286830 1393158641 /nfs/dbraw/zinc/15/86/41/1393158641.db2.gz CLHVDYKMBRTVOI-PMACEKPBSA-N 2 0 345.531 3.449 20 0 EGADRP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001481343828 1393169013 /nfs/dbraw/zinc/16/90/13/1393169013.db2.gz SNTVXHOIBANWOF-QGZVFWFLSA-N 2 0 345.531 3.235 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccc(C(C)C)cc1 ZINC001481361574 1394201673 /nfs/dbraw/zinc/20/16/73/1394201673.db2.gz ZWKABZNKTUWNSP-HXUWFJFHSA-N 2 0 345.531 3.450 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001698941946 1406681849 /nfs/dbraw/zinc/68/18/49/1406681849.db2.gz YTVXLJRDLKTHDG-ICSRJNTNSA-N 2 0 345.531 3.054 20 0 EGADRP C[N@H+](CCC1CCCC1)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481500887 1394346619 /nfs/dbraw/zinc/34/66/19/1394346619.db2.gz SOXGMZMCVAQZKQ-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)CCC1 ZINC001481526463 1394378251 /nfs/dbraw/zinc/37/82/51/1394378251.db2.gz DVXRAONTPMOOBM-GOSISDBHSA-N 2 0 349.563 3.268 20 0 EGADRP CC1(C)CCC(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001481710057 1394469193 /nfs/dbraw/zinc/46/91/93/1394469193.db2.gz SVPVVDWWJLYICU-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001491231126 1394486504 /nfs/dbraw/zinc/48/65/04/1394486504.db2.gz XKYIBOKUQPTKGX-KRWDZBQOSA-N 2 0 325.541 3.125 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001491299637 1394500986 /nfs/dbraw/zinc/50/09/86/1394500986.db2.gz HPVUDXCIZBNZKE-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCCC1 ZINC001482226739 1394821110 /nfs/dbraw/zinc/82/11/10/1394821110.db2.gz SQUQZTHREXYTGB-GOSISDBHSA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]([NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC001482228071 1394822657 /nfs/dbraw/zinc/82/26/57/1394822657.db2.gz LWTITSTVEKGAFU-MRXNPFEDSA-N 2 0 349.494 3.247 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001482290303 1394870116 /nfs/dbraw/zinc/87/01/16/1394870116.db2.gz XTYFNDAYHJEUDJ-HNNXBMFYSA-N 2 0 345.512 3.060 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001482330666 1394899969 /nfs/dbraw/zinc/89/99/69/1394899969.db2.gz LDHIWNFSAHRZQS-GOSISDBHSA-N 2 0 347.547 3.218 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001483932558 1395150110 /nfs/dbraw/zinc/15/01/10/1395150110.db2.gz JZMIZEBRPUGXGE-RTBURBONSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2(C)CC[NH+](CC3CCC3)CC2)CCCCC1 ZINC001483969028 1395168994 /nfs/dbraw/zinc/16/89/94/1395168994.db2.gz VNVGXUXPNLBQLB-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1)[NH+](C)C ZINC001484562321 1395448480 /nfs/dbraw/zinc/44/84/80/1395448480.db2.gz XUHIDMMLSDOFDN-BEFAXECRSA-N 2 0 331.504 3.094 20 0 EGADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001484765819 1395519828 /nfs/dbraw/zinc/51/98/28/1395519828.db2.gz SVWKDENUQANJGT-PKOBYXMFSA-N 2 0 333.520 3.177 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCCCC1 ZINC001484976100 1395616260 /nfs/dbraw/zinc/61/62/60/1395616260.db2.gz BGTKNYCFYBKWPK-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C)[C@H](C)C1 ZINC001484985249 1395628812 /nfs/dbraw/zinc/62/88/12/1395628812.db2.gz DOCCKPDCDUBGAL-UYAOXDASSA-N 2 0 345.531 3.196 20 0 EGADRP CCCC[C@@H](C[NH2+]Cc1ccc(C)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485465705 1395940527 /nfs/dbraw/zinc/94/05/27/1395940527.db2.gz MIPINEFQRGLVQM-PMACEKPBSA-N 2 0 345.531 3.244 20 0 EGADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001485515845 1395992156 /nfs/dbraw/zinc/99/21/56/1395992156.db2.gz OFMADYPHPZOWQS-QGZVFWFLSA-N 2 0 349.563 3.125 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001485961934 1396174222 /nfs/dbraw/zinc/17/42/22/1396174222.db2.gz VEXLEENZRGMIGT-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001501170576 1396189043 /nfs/dbraw/zinc/18/90/43/1396189043.db2.gz ZPHQSSCSAPZGFI-REPLKXPHSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001495458230 1396536181 /nfs/dbraw/zinc/53/61/81/1396536181.db2.gz OHCAMNYQIDEEBV-KZNAEPCWSA-N 2 0 337.552 3.170 20 0 EGADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCC3CCCC3)CCCC2)CCC1 ZINC001495918774 1396572063 /nfs/dbraw/zinc/57/20/63/1396572063.db2.gz KZGNXFKAARDKEY-UHFFFAOYSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001495974681 1396584300 /nfs/dbraw/zinc/58/43/00/1396584300.db2.gz YVOMNERDSRNRLQ-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001690029161 1404267916 /nfs/dbraw/zinc/26/79/16/1404267916.db2.gz VPHVPSQVMYRKSJ-HXUWFJFHSA-N 2 0 345.531 3.402 20 0 EGADRP Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)cc1C ZINC001690453008 1404579295 /nfs/dbraw/zinc/57/92/95/1404579295.db2.gz PSYUUDQUOOBRNF-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001690540507 1404626790 /nfs/dbraw/zinc/62/67/90/1404626790.db2.gz QCLQONFCZFTGPF-MNNVXMFVSA-N 2 0 349.494 3.246 20 0 EGADRP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690816964 1404751520 /nfs/dbraw/zinc/75/15/20/1404751520.db2.gz HAVVLMRAFSQZNF-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC1CCCC1 ZINC001690843198 1404772814 /nfs/dbraw/zinc/77/28/14/1404772814.db2.gz PXIVRIRMMBUFCQ-KRWDZBQOSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+](C)CC1CCCCC1 ZINC001690946986 1404854912 /nfs/dbraw/zinc/85/49/12/1404854912.db2.gz XAYQABVZZGFXBU-UHFFFAOYSA-N 2 0 337.533 3.052 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1ccc(F)cc1 ZINC001691043198 1404952824 /nfs/dbraw/zinc/95/28/24/1404952824.db2.gz AYLJGTSNUHKJLT-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)[C@@H](C)c1ccccc1 ZINC001691043611 1404954476 /nfs/dbraw/zinc/95/44/76/1404954476.db2.gz SFKVPNQSXMVTCM-ICSRJNTNSA-N 2 0 345.531 3.449 20 0 EGADRP CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001691277070 1405188463 /nfs/dbraw/zinc/18/84/63/1405188463.db2.gz NLXXHSQLDRHQRS-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001691860468 1405578389 /nfs/dbraw/zinc/57/83/89/1405578389.db2.gz HGZQORDUZAYSBI-VQTJNVASSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001698585093 1406201014 /nfs/dbraw/zinc/20/10/14/1406201014.db2.gz JVTZHYQSFCYNQO-DLBZAZTESA-N 2 0 349.494 3.151 20 0 EGADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCCCCC1 ZINC001732216417 1428463927 /nfs/dbraw/zinc/46/39/27/1428463927.db2.gz CGGJFCASGDTKSQ-IBGZPJMESA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001732314220 1428526009 /nfs/dbraw/zinc/52/60/09/1428526009.db2.gz OHDAWTVUBWRPCI-SNRMKQJTSA-N 2 0 349.494 3.246 20 0 EGADRP O=C(NCC1([NH2+]CC2CC2)CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732395490 1428563130 /nfs/dbraw/zinc/56/31/30/1428563130.db2.gz PIGFUZGBUAUMMY-IBGZPJMESA-N 2 0 347.547 3.212 20 0 EGADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCCCCC3)CCCC2)CC1 ZINC001732396117 1428563495 /nfs/dbraw/zinc/56/34/95/1428563495.db2.gz YGQFOFGYFSNZPK-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001732399188 1428565504 /nfs/dbraw/zinc/56/55/04/1428565504.db2.gz XIKLMBSRYWKOSD-ROUUACIJSA-N 2 0 343.515 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CCCC1 ZINC001732400083 1428566162 /nfs/dbraw/zinc/56/61/62/1428566162.db2.gz VGNQSTRDCBCOKV-GOSISDBHSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001732419686 1428573865 /nfs/dbraw/zinc/57/38/65/1428573865.db2.gz NWYSYHKSKBNAFO-ZWKOTPCHSA-N 2 0 345.531 3.449 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001732477372 1428603382 /nfs/dbraw/zinc/60/33/82/1428603382.db2.gz MOSVWMFNKTUPAA-VQTJNVASSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473953 1412862875 /nfs/dbraw/zinc/86/28/75/1412862875.db2.gz GHJGKZJZRSJRQR-LJQANCHMSA-N 2 0 345.531 3.116 20 0 EGADRP C[NH+]1CCC(C(=O)NCC[N@H+](CC2CCC2)C2CCCCCC2)CC1 ZINC001699682979 1413077518 /nfs/dbraw/zinc/07/75/18/1413077518.db2.gz DPHFQUYCFQHHDG-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1nccn1CCCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001699856854 1413288313 /nfs/dbraw/zinc/28/83/13/1413288313.db2.gz XZEOCKSIWLFAMB-XLIONFOSSA-N 2 0 348.535 3.235 20 0 EGADRP CC(C)C[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001699864077 1413299877 /nfs/dbraw/zinc/29/98/77/1413299877.db2.gz NRZJQMJZGWLIGI-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC2)c1 ZINC001700154469 1413569733 /nfs/dbraw/zinc/56/97/33/1413569733.db2.gz GJVIFNMFSOGHLA-IBGZPJMESA-N 2 0 345.531 3.018 20 0 EGADRP CCc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001700345385 1413831944 /nfs/dbraw/zinc/83/19/44/1413831944.db2.gz FJGWCGYSRNVFOG-FQEVSTJZSA-N 2 0 345.531 3.062 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001700346277 1413832982 /nfs/dbraw/zinc/83/29/82/1413832982.db2.gz ILOOVIZKBMEKRZ-MHJFOBGBSA-N 2 0 349.563 3.269 20 0 EGADRP CN(CC[N@H+](C)CC1CCC(C)(C)CC1)C(=O)C[NH+](C)C1CCC1 ZINC001732585316 1428797138 /nfs/dbraw/zinc/79/71/38/1428797138.db2.gz KJYUOWGNMKVUSI-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CCCC(C)(C)C)CC1 ZINC001700697479 1414356615 /nfs/dbraw/zinc/35/66/15/1414356615.db2.gz BPWDSXMZERYUPY-UHFFFAOYSA-N 2 0 325.541 3.077 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CCC[NH2+]C/C=C\Cl)c1ccccc1 ZINC001700704945 1414361561 /nfs/dbraw/zinc/36/15/61/1414361561.db2.gz DKUIRWOBZSLKFN-XTQWYIJYSA-N 2 0 349.906 3.060 20 0 EGADRP CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001707434434 1417338986 /nfs/dbraw/zinc/33/89/86/1417338986.db2.gz DSTLFGYSOXTMAI-YLJYHZDGSA-N 2 0 345.531 3.174 20 0 EGADRP C[N@H+](CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713377572 1417987799 /nfs/dbraw/zinc/98/77/99/1417987799.db2.gz SKYYQVFBUPJDKT-OALUTQOASA-N 2 0 349.563 3.458 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001713496257 1418205352 /nfs/dbraw/zinc/20/53/52/1418205352.db2.gz OGRHNVDSDCXWJW-WMLDXEAASA-N 2 0 339.911 3.179 20 0 EGADRP CC1(C)CCC(C[N@H+](CCNC(=O)CCn2ccnc2)C2CC2)CC1 ZINC001713558971 1418355759 /nfs/dbraw/zinc/35/57/59/1418355759.db2.gz AQQFZXITEFNQFX-UHFFFAOYSA-N 2 0 346.519 3.070 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713682454 1418434655 /nfs/dbraw/zinc/43/46/55/1418434655.db2.gz BKNQXDIBMCLCIQ-ROUUACIJSA-N 2 0 345.531 3.306 20 0 EGADRP C[N@H+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001713764491 1418576773 /nfs/dbraw/zinc/57/67/73/1418576773.db2.gz FATGTQKYJQMSEW-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C[NH2+]CC3CC(C)C3)CCCC2)C1 ZINC001714140509 1418942759 /nfs/dbraw/zinc/94/27/59/1418942759.db2.gz MGHRTZITJKVCEB-CTWPCTMYSA-N 2 0 349.563 3.173 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)[C@H]3CC[N@H+](C)C3)CCCC2)c1 ZINC001714150743 1418957182 /nfs/dbraw/zinc/95/71/82/1418957182.db2.gz HGCCQAZLBKSDQH-MJGOQNOKSA-N 2 0 343.515 3.026 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001714313813 1419094840 /nfs/dbraw/zinc/09/48/40/1419094840.db2.gz TZTFBPUYKPHYPG-WDSOQIARSA-N 2 0 331.504 3.106 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001714413726 1419152000 /nfs/dbraw/zinc/15/20/00/1419152000.db2.gz XTQXOIOGHBBYEY-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714439760 1419171398 /nfs/dbraw/zinc/17/13/98/1419171398.db2.gz YOMOOVLVNJCLQM-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001714491203 1419214745 /nfs/dbraw/zinc/21/47/45/1419214745.db2.gz XGDWBYOUZKSWBR-MSOLQXFVSA-N 2 0 345.531 3.272 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)c1cccc2ccccc21 ZINC001714565775 1419294346 /nfs/dbraw/zinc/29/43/46/1419294346.db2.gz KWAUUAPTWQEHRJ-QGZVFWFLSA-N 2 0 341.499 3.291 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714572050 1419305123 /nfs/dbraw/zinc/30/51/23/1419305123.db2.gz IAQYZFCETAPIQO-KRWDZBQOSA-N 2 0 339.483 3.171 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1ccccc1F ZINC001714619291 1419384387 /nfs/dbraw/zinc/38/43/87/1419384387.db2.gz OISVARZNTJQJIL-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C\c1ccccc1)[NH+](C)C ZINC001714622568 1419390489 /nfs/dbraw/zinc/39/04/89/1419390489.db2.gz RCZOBWXRZVMODE-MUMTWGKBSA-N 2 0 343.515 3.011 20 0 EGADRP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001714637579 1419408985 /nfs/dbraw/zinc/40/89/85/1419408985.db2.gz LZWHWYAZOIKYKO-UYAOXDASSA-N 2 0 345.531 3.088 20 0 EGADRP CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001714934405 1419683829 /nfs/dbraw/zinc/68/38/29/1419683829.db2.gz SFWULUUATPSYBA-FQEVSTJZSA-N 2 0 345.531 3.039 20 0 EGADRP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001715122689 1419867719 /nfs/dbraw/zinc/86/77/19/1419867719.db2.gz BJGLMLDFPONKMP-NQIIRXRSSA-N 2 0 349.563 3.317 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001715192241 1419923933 /nfs/dbraw/zinc/92/39/33/1419923933.db2.gz XZKOUUOCDUEDPP-GUDVDZBRSA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001715201738 1419934740 /nfs/dbraw/zinc/93/47/40/1419934740.db2.gz JSJLZSMXJGWSDF-UUKMXZOPSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CC1CCCCC1 ZINC001715233107 1419964684 /nfs/dbraw/zinc/96/46/84/1419964684.db2.gz HXSNCMVRDWSELA-PXNSSMCTSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715382468 1420079038 /nfs/dbraw/zinc/07/90/38/1420079038.db2.gz FOTKUZKOUHGACA-KRWDZBQOSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001715501225 1420184065 /nfs/dbraw/zinc/18/40/65/1420184065.db2.gz JMIHCFWNIOLEAC-QZTJIDSGSA-N 2 0 337.552 3.027 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001715541632 1420239432 /nfs/dbraw/zinc/23/94/32/1420239432.db2.gz AZAKURBALPPRJU-UYAOXDASSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001715587327 1420261582 /nfs/dbraw/zinc/26/15/82/1420261582.db2.gz LSPLDKVDCCWKNZ-MAUKXSAKSA-N 2 0 349.494 3.101 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001716518159 1420747344 /nfs/dbraw/zinc/74/73/44/1420747344.db2.gz LWWBPNSDSRZQPQ-MOPGFXCFSA-N 2 0 349.563 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001716798310 1420931305 /nfs/dbraw/zinc/93/13/05/1420931305.db2.gz OPGPYMFDNOLPSP-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001716888958 1421012958 /nfs/dbraw/zinc/01/29/58/1421012958.db2.gz QHOMESCVGGMMTN-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001717106483 1421112335 /nfs/dbraw/zinc/11/23/35/1421112335.db2.gz AROUOZASQGCMPS-RTBURBONSA-N 2 0 345.531 3.226 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001717292102 1421238335 /nfs/dbraw/zinc/23/83/35/1421238335.db2.gz OURYMVSAPIHJSY-QUCCMNQESA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001717334912 1421271328 /nfs/dbraw/zinc/27/13/28/1421271328.db2.gz BINUVSXPGTVUCB-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)[C@H](C)C1 ZINC001717335020 1421271860 /nfs/dbraw/zinc/27/18/60/1421271860.db2.gz CMSAVNKPALKHRF-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)[C@@H](C)C1 ZINC001717335022 1421272098 /nfs/dbraw/zinc/27/20/98/1421272098.db2.gz CMSAVNKPALKHRF-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)c1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001717486264 1421422459 /nfs/dbraw/zinc/42/24/59/1421422459.db2.gz CKLVNFCVGDBBKN-QGZVFWFLSA-N 2 0 345.531 3.088 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H]1C ZINC001717803142 1421630843 /nfs/dbraw/zinc/63/08/43/1421630843.db2.gz STROVQDONJLVNW-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001717806820 1421631798 /nfs/dbraw/zinc/63/17/98/1421631798.db2.gz YHNNRTOQDGNLIS-OXJNMPFZSA-N 2 0 345.531 3.377 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001717806822 1421632039 /nfs/dbraw/zinc/63/20/39/1421632039.db2.gz YHNNRTOQDGNLIS-UZLBHIALSA-N 2 0 345.531 3.377 20 0 EGADRP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001717873549 1421681484 /nfs/dbraw/zinc/68/14/84/1421681484.db2.gz RXXAXDQQVUFDIR-RBUKOAKNSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001718032416 1421784816 /nfs/dbraw/zinc/78/48/16/1421784816.db2.gz OFBUHGNEGZUIKH-IEBWSBKVSA-N 2 0 337.552 3.003 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001733336232 1429520795 /nfs/dbraw/zinc/52/07/95/1429520795.db2.gz RRFANMORXBIKAJ-VQIMIIECSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)C[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001733385542 1429572660 /nfs/dbraw/zinc/57/26/60/1429572660.db2.gz QKCSVQNYNCXJTK-HXUWFJFHSA-N 2 0 345.531 3.282 20 0 EGADRP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CC2CCCCC2)C1)CC(C)(C)C ZINC001733415155 1429618793 /nfs/dbraw/zinc/61/87/93/1429618793.db2.gz YUXUNQWXJVTBPR-HXUWFJFHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001733444052 1429652931 /nfs/dbraw/zinc/65/29/31/1429652931.db2.gz VZJJSLIXRAPFGH-RXVVDRJESA-N 2 0 345.531 3.226 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001723531579 1424454406 /nfs/dbraw/zinc/45/44/06/1424454406.db2.gz IHZKIVYSCWBUAO-LJQANCHMSA-N 2 0 349.563 3.316 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1)c1ccccc1 ZINC001724752992 1425123066 /nfs/dbraw/zinc/12/30/66/1425123066.db2.gz QIWWGQJSBXADAM-BJLQDIEVSA-N 2 0 345.531 3.354 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724833108 1425178980 /nfs/dbraw/zinc/17/89/80/1425178980.db2.gz BASVHOXXXLRPQR-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001725000906 1425409759 /nfs/dbraw/zinc/40/97/59/1425409759.db2.gz UZIUEFJBZSAECX-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001725003206 1425413947 /nfs/dbraw/zinc/41/39/47/1425413947.db2.gz OLOZLTQJONPWLJ-YLJYHZDGSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CCC1CCCCCC1 ZINC001725175062 1425689578 /nfs/dbraw/zinc/68/95/78/1425689578.db2.gz UHMVWJUWGBVGQK-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001725265152 1425899160 /nfs/dbraw/zinc/89/91/60/1425899160.db2.gz JOXZJPAQHMEDNJ-SFHVURJKSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001725581772 1426237586 /nfs/dbraw/zinc/23/75/86/1426237586.db2.gz BWAWVOMGNBQACX-RBUKOAKNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001725585273 1426240291 /nfs/dbraw/zinc/24/02/91/1426240291.db2.gz GZXXDKBHUFYYAV-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](CC)CC1 ZINC001731386802 1427333918 /nfs/dbraw/zinc/33/39/18/1427333918.db2.gz CRHNGCYWKQZIIJ-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731560325 1427595414 /nfs/dbraw/zinc/59/54/14/1427595414.db2.gz VOZCQXGCYMDYGS-AZUAARDMSA-N 2 0 345.531 3.054 20 0 EGADRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1ccccc1C ZINC001731867830 1428117359 /nfs/dbraw/zinc/11/73/59/1428117359.db2.gz XPKQCBFQXXNDGE-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001731983262 1428195746 /nfs/dbraw/zinc/19/57/46/1428195746.db2.gz HMIYWBZCRJLUIK-IBGZPJMESA-N 2 0 345.531 3.370 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001733901017 1437719079 /nfs/dbraw/zinc/71/90/79/1437719079.db2.gz MJMUFUVGESPTDL-DLBZAZTESA-N 2 0 325.541 3.124 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CC2)CCCCC1 ZINC001733933454 1437747120 /nfs/dbraw/zinc/74/71/20/1437747120.db2.gz HKDYHMNNROPJIF-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001733936170 1437750410 /nfs/dbraw/zinc/75/04/10/1437750410.db2.gz APIKTNVEFLZEMO-QFBILLFUSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001734022930 1437811379 /nfs/dbraw/zinc/81/13/79/1437811379.db2.gz SZSNQEPTCXJDCS-KRWDZBQOSA-N 2 0 345.531 3.164 20 0 EGADRP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001734303421 1438035267 /nfs/dbraw/zinc/03/52/67/1438035267.db2.gz UHJWVPZCLRDOFU-IBGZPJMESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001734421934 1438090087 /nfs/dbraw/zinc/09/00/87/1438090087.db2.gz HKGXYFUFSLPTST-IEBWSBKVSA-N 2 0 345.531 3.231 20 0 EGADRP Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001734425081 1438091300 /nfs/dbraw/zinc/09/13/00/1438091300.db2.gz PXKSRDRVDKGUKA-HKUYNNGSSA-N 2 0 345.531 3.052 20 0 EGADRP Cc1ccc(C)c(C[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)c1 ZINC001734568628 1438163547 /nfs/dbraw/zinc/16/35/47/1438163547.db2.gz LPIYQZHDEPYKRB-IBGZPJMESA-N 2 0 347.547 3.266 20 0 EGADRP C[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001752072599 1440137964 /nfs/dbraw/zinc/13/79/64/1440137964.db2.gz GBSQYWUCSDUPLV-QGZVFWFLSA-N 2 0 349.494 3.028 20 0 EGADRP CC(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001752160033 1440148623 /nfs/dbraw/zinc/14/86/23/1440148623.db2.gz XHHKLPPKQHKRER-MJGOQNOKSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001752427747 1440177460 /nfs/dbraw/zinc/17/74/60/1440177460.db2.gz QXNRYXYGKOWXEN-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001752435359 1440180131 /nfs/dbraw/zinc/18/01/31/1440180131.db2.gz QBFHSVGLCRYPBO-LJQANCHMSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CCCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001752479266 1440185126 /nfs/dbraw/zinc/18/51/26/1440185126.db2.gz DKWUKOQXFOVJSN-FFZOFVMBSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+](CCCC3CCCC3)C2)CCC1 ZINC001752783580 1440210216 /nfs/dbraw/zinc/21/02/16/1440210216.db2.gz KPKNHMCHYYCNAA-LJQANCHMSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001752785599 1440211265 /nfs/dbraw/zinc/21/12/65/1440211265.db2.gz CCWWRMRJMVXNCU-RTBURBONSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001752800042 1440214923 /nfs/dbraw/zinc/21/49/23/1440214923.db2.gz SWZKFCXFSLLDAC-MISYRCLQSA-N 2 0 347.547 3.045 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001752820213 1440219956 /nfs/dbraw/zinc/21/99/56/1440219956.db2.gz CQWYWEJGVKUSBU-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001752820450 1440220212 /nfs/dbraw/zinc/22/02/12/1440220212.db2.gz MSKVGSUMZGSYTE-GFQMDTTRSA-N 2 0 349.563 3.434 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001752842354 1440231145 /nfs/dbraw/zinc/23/11/45/1440231145.db2.gz YSUGAXDZTWDUHJ-UYAOXDASSA-N 2 0 345.531 3.054 20 0 EGADRP CC/C=C\CC[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001752852851 1440233983 /nfs/dbraw/zinc/23/39/83/1440233983.db2.gz SFQUPICRNLVUAI-FPLPWBNLSA-N 2 0 337.552 3.338 20 0 EGADRP CC[C@H]([NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001752854157 1440234333 /nfs/dbraw/zinc/23/43/33/1440234333.db2.gz UYFCBYSOFFLWCB-ACBHZAAOSA-N 2 0 349.494 3.246 20 0 EGADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC001752897014 1440241902 /nfs/dbraw/zinc/24/19/02/1440241902.db2.gz QTOJQWAOHNNMTB-IAGOWNOFSA-N 2 0 341.499 3.337 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001752909123 1440245024 /nfs/dbraw/zinc/24/50/24/1440245024.db2.gz HDVWGYCIFNOGEG-GOSISDBHSA-N 2 0 345.531 3.018 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2CC)C1 ZINC001752996736 1440262375 /nfs/dbraw/zinc/26/23/75/1440262375.db2.gz HRGMWKDFGRUDBL-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001753020132 1440269536 /nfs/dbraw/zinc/26/95/36/1440269536.db2.gz CWVSJAFBLOKWLY-QGZVFWFLSA-N 2 0 347.547 3.309 20 0 EGADRP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCCCC2)CCC1 ZINC001753027903 1440271982 /nfs/dbraw/zinc/27/19/82/1440271982.db2.gz UKJJZFNQRQJZKA-IBGZPJMESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001753059293 1440282698 /nfs/dbraw/zinc/28/26/98/1440282698.db2.gz CKOTXZHKJITAPS-GOSISDBHSA-N 2 0 345.531 3.287 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001753075510 1440290960 /nfs/dbraw/zinc/29/09/60/1440290960.db2.gz AGIGXSRENLZUOS-LJQANCHMSA-N 2 0 345.531 3.370 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CCC1=CCCCC1 ZINC001753082240 1440294571 /nfs/dbraw/zinc/29/45/71/1440294571.db2.gz HDODCWFLIVNWTG-LJQANCHMSA-N 2 0 335.536 3.188 20 0 EGADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCC2)CCCCC1 ZINC001753108241 1440307237 /nfs/dbraw/zinc/30/72/37/1440307237.db2.gz KZEXFIDKTAEFOR-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001753155149 1440330390 /nfs/dbraw/zinc/33/03/90/1440330390.db2.gz CKTMDCHOYKJFLP-YLJYHZDGSA-N 2 0 343.515 3.121 20 0 EGADRP CC(C)(C)CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001753160815 1440333769 /nfs/dbraw/zinc/33/37/69/1440333769.db2.gz BWKZEOONNJXJPV-ROUUACIJSA-N 2 0 335.536 3.020 20 0 EGADRP CN(CC[NH2+]CCCC1CCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753190027 1440337601 /nfs/dbraw/zinc/33/76/01/1440337601.db2.gz WRFJDAQNDXVACQ-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001753240473 1440342071 /nfs/dbraw/zinc/34/20/71/1440342071.db2.gz UITLQQSCIBITAS-MOPGFXCFSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1=CCCCC1 ZINC001753286543 1440348912 /nfs/dbraw/zinc/34/89/12/1440348912.db2.gz DMNRDIPFGYPMHW-HXUWFJFHSA-N 2 0 347.547 3.045 20 0 EGADRP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CCC)C1 ZINC001753319604 1440362244 /nfs/dbraw/zinc/36/22/44/1440362244.db2.gz IUURYKDFMWVRRQ-IBGZPJMESA-N 2 0 331.504 3.085 20 0 EGADRP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753360013 1440382308 /nfs/dbraw/zinc/38/23/08/1440382308.db2.gz OENFLHPWZDFLIC-SFHVURJKSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@@H](C(=O)NCC1C[NH+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001753415640 1440394303 /nfs/dbraw/zinc/39/43/03/1440394303.db2.gz IIKZOONVCVNJAH-FQEVSTJZSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753448787 1440404935 /nfs/dbraw/zinc/40/49/35/1440404935.db2.gz BCNCCSJCBGTMOF-HXUWFJFHSA-N 2 0 345.531 3.331 20 0 EGADRP CCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001753460227 1440410278 /nfs/dbraw/zinc/41/02/78/1440410278.db2.gz ZKNRQLJEUGAFBD-LJQANCHMSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001753460386 1440410294 /nfs/dbraw/zinc/41/02/94/1440410294.db2.gz XCFKWIVRYVFBHG-MOPGFXCFSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001753460389 1440410301 /nfs/dbraw/zinc/41/03/01/1440410301.db2.gz XCFKWIVRYVFBHG-RTBURBONSA-N 2 0 331.504 3.012 20 0 EGADRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001753472799 1440414428 /nfs/dbraw/zinc/41/44/28/1440414428.db2.gz BHIARBDBAMUEGN-SFHVURJKSA-N 2 0 335.536 3.236 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1)[NH+]1CCCC1 ZINC001753562445 1440437144 /nfs/dbraw/zinc/43/71/44/1440437144.db2.gz PQHNLLSWSNXDHO-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCC/C=C/CC[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001753577235 1440439528 /nfs/dbraw/zinc/43/95/28/1440439528.db2.gz WCERCFNEHFWFLA-SNAWJCMRSA-N 2 0 347.547 3.047 20 0 EGADRP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001753587670 1440441759 /nfs/dbraw/zinc/44/17/59/1440441759.db2.gz LOBQDVUSCKOGTO-AXKJBWEVSA-N 2 0 335.536 3.233 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001753594493 1440444029 /nfs/dbraw/zinc/44/40/29/1440444029.db2.gz DIOGPXJITZUTRJ-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CCC2(CC[NH+](CC3CC3)C2)CC1 ZINC001753603403 1440447114 /nfs/dbraw/zinc/44/71/14/1440447114.db2.gz YDECEPGKLRXNAG-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CCC1CCCCC1 ZINC001753621678 1440450557 /nfs/dbraw/zinc/45/05/57/1440450557.db2.gz QHIHJXUQYPCYEL-GOSISDBHSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C[NH2+]CC1CC(C)C1 ZINC001753623231 1440450835 /nfs/dbraw/zinc/45/08/35/1440450835.db2.gz XXZUDDUUEHFLCK-CGZBRXJRSA-N 2 0 337.552 3.027 20 0 EGADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1 ZINC001753632402 1440452421 /nfs/dbraw/zinc/45/24/21/1440452421.db2.gz NIBOVWRQENCZPS-MJGOQNOKSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001753669951 1440461589 /nfs/dbraw/zinc/46/15/89/1440461589.db2.gz MFHXLWGYZPNXER-QVOQXLMASA-N 2 0 347.547 3.378 20 0 EGADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001753764119 1440484483 /nfs/dbraw/zinc/48/44/83/1440484483.db2.gz ZZUXIDQJKRYCAB-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001753788013 1440488475 /nfs/dbraw/zinc/48/84/75/1440488475.db2.gz KIRFNLVRMUZGPK-LJQANCHMSA-N 2 0 331.504 3.131 20 0 EGADRP Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001753810532 1440492651 /nfs/dbraw/zinc/49/26/51/1440492651.db2.gz BEOLOPWEGVLKMF-QUCCMNQESA-N 2 0 345.531 3.054 20 0 EGADRP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001753810917 1440492748 /nfs/dbraw/zinc/49/27/48/1440492748.db2.gz BZPLPMJXKWWSJU-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001753810916 1440492762 /nfs/dbraw/zinc/49/27/62/1440492762.db2.gz BZPLPMJXKWWSJU-MJGOQNOKSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1=CCCCC1 ZINC001753834576 1440500573 /nfs/dbraw/zinc/50/05/73/1440500573.db2.gz LQLAXCDEFSVNMO-GOSISDBHSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1c(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C)ccc2c[nH+]cn21 ZINC001753835744 1440500962 /nfs/dbraw/zinc/50/09/62/1440500962.db2.gz VAQYHRUFLYSRTB-GOSISDBHSA-N 2 0 344.503 3.423 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001753971154 1440527105 /nfs/dbraw/zinc/52/71/05/1440527105.db2.gz SLPYZUJIJGTPJF-QZTJIDSGSA-N 2 0 345.531 3.333 20 0 EGADRP CCN(CC[NH2+]CCC1CCCCC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001754083864 1440539807 /nfs/dbraw/zinc/53/98/07/1440539807.db2.gz CPIBSTCQUGLWKF-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP O=C(NC/C=C\C[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754180360 1440548085 /nfs/dbraw/zinc/54/80/85/1440548085.db2.gz AGZJTMMYKYCOKR-PSCPARJHSA-N 2 0 347.547 3.236 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001754209108 1440551083 /nfs/dbraw/zinc/55/10/83/1440551083.db2.gz DTDWIPXCHLKBKU-HMECNJMJSA-N 2 0 343.515 3.194 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001754374281 1440592877 /nfs/dbraw/zinc/59/28/77/1440592877.db2.gz YXZMFKXEOIDOAP-ICSRJNTNSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001754499771 1440613739 /nfs/dbraw/zinc/61/37/39/1440613739.db2.gz DPUUIGJMBQGSED-MOPGFXCFSA-N 2 0 345.531 3.287 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001754505515 1440616254 /nfs/dbraw/zinc/61/62/54/1440616254.db2.gz VGNIGGNDUWNQIM-FQEVSTJZSA-N 2 0 349.563 3.413 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754506163 1440616542 /nfs/dbraw/zinc/61/65/42/1440616542.db2.gz XOZMJPRJFKZXJV-OALUTQOASA-N 2 0 343.515 3.123 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001754557216 1440632193 /nfs/dbraw/zinc/63/21/93/1440632193.db2.gz NIQILPUOHSVGDW-CTNGQTDRSA-N 2 0 349.563 3.388 20 0 EGADRP CC/C=C/CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001754630398 1440647514 /nfs/dbraw/zinc/64/75/14/1440647514.db2.gz FXNYZXXUFLGPNU-AATRIKPKSA-N 2 0 335.536 3.045 20 0 EGADRP CC1(NC(=O)CCC[NH+]2CCCC2)CC[NH+](CCC2CCCC2)CC1 ZINC001754630461 1440647556 /nfs/dbraw/zinc/64/75/56/1440647556.db2.gz YVPPGVUJKDHRMA-UHFFFAOYSA-N 2 0 349.563 3.413 20 0 EGADRP C[C@H](C(=O)NC1(C)CC[NH+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001754630558 1440647738 /nfs/dbraw/zinc/64/77/38/1440647738.db2.gz HZQBUXUROVGXON-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001754649309 1440651421 /nfs/dbraw/zinc/65/14/21/1440651421.db2.gz IQZIVOUUCLEGTR-WOJBJXKFSA-N 2 0 349.563 3.458 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C2CCCC2)CC[N@@H+]1C ZINC001754651628 1440652042 /nfs/dbraw/zinc/65/20/42/1440652042.db2.gz XPRSHFCAFISRJW-NSISKUIASA-N 2 0 347.547 3.092 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001754653960 1440652826 /nfs/dbraw/zinc/65/28/26/1440652826.db2.gz JQHVXEHAJBNVAC-IEBWSBKVSA-N 2 0 349.563 3.029 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001754662133 1440655270 /nfs/dbraw/zinc/65/52/70/1440655270.db2.gz RJXMOFVWNNDSCG-FQEVSTJZSA-N 2 0 337.552 3.223 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001754662302 1440655446 /nfs/dbraw/zinc/65/54/46/1440655446.db2.gz VNXWPQHRKDBJSH-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001754697627 1440667345 /nfs/dbraw/zinc/66/73/45/1440667345.db2.gz RAFOGBVUIXVFEO-CTNGQTDRSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001754722536 1440674067 /nfs/dbraw/zinc/67/40/67/1440674067.db2.gz ZPTNAROHSFKFGU-IBGZPJMESA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CCC2=CCCCC2)C1 ZINC001754734677 1440681781 /nfs/dbraw/zinc/68/17/81/1440681781.db2.gz WQPGISPAIYPWEI-NRFANRHFSA-N 2 0 349.563 3.437 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1=CCCCC1)C2 ZINC001754782689 1440686682 /nfs/dbraw/zinc/68/66/82/1440686682.db2.gz GSTFIGRULYBRTG-ZCNNSNEGSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001754806625 1440691256 /nfs/dbraw/zinc/69/12/56/1440691256.db2.gz FTORMQMBWRQJEZ-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)c1ccc(C[NH2+]CC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001754931512 1440710587 /nfs/dbraw/zinc/71/05/87/1440710587.db2.gz YZJUHJZXEYUOAI-IBGZPJMESA-N 2 0 345.531 3.090 20 0 EGADRP CCC(CC)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001754945608 1440712663 /nfs/dbraw/zinc/71/26/63/1440712663.db2.gz CDYCVTZNGJYXFO-FQEVSTJZSA-N 2 0 345.531 3.265 20 0 EGADRP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001754947689 1440713827 /nfs/dbraw/zinc/71/38/27/1440713827.db2.gz QZCRXSWDLDSTSE-MRXNPFEDSA-N 2 0 331.504 3.094 20 0 EGADRP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001754948488 1440714107 /nfs/dbraw/zinc/71/41/07/1440714107.db2.gz ZKRWOUUGVYLLLS-FRQCXROJSA-N 2 0 331.504 3.094 20 0 EGADRP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001754952314 1440715168 /nfs/dbraw/zinc/71/51/68/1440715168.db2.gz YLWQRMDCRBJPKL-GUKTUGNZSA-N 2 0 349.563 3.480 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001754980481 1440721184 /nfs/dbraw/zinc/72/11/84/1440721184.db2.gz DWKMERYDXUIEOO-QZTJIDSGSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1ccccc1[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755034436 1440733577 /nfs/dbraw/zinc/73/35/77/1440733577.db2.gz RAKWKKLTVWCDDJ-RBUKOAKNSA-N 2 0 345.531 3.367 20 0 EGADRP CN(CCC[N@H+](C)CCC1CCCCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755044163 1440739462 /nfs/dbraw/zinc/73/94/62/1440739462.db2.gz OCNCYVVEZWMNFN-LJQANCHMSA-N 2 0 337.552 3.079 20 0 EGADRP CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001755073654 1440747614 /nfs/dbraw/zinc/74/76/14/1440747614.db2.gz BVZSJDAEGVVORI-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755128125 1440756613 /nfs/dbraw/zinc/75/66/13/1440756613.db2.gz SVMXOKBGZXAVKG-GOSISDBHSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CCCC2CCCC2)CC1 ZINC001755134183 1440757747 /nfs/dbraw/zinc/75/77/47/1440757747.db2.gz QIQNGZNYANUTOM-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC1([NH2+]CCC2CC2)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755134893 1440757940 /nfs/dbraw/zinc/75/79/40/1440757940.db2.gz UJHUTLKMJKPJJC-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001755271645 1440797917 /nfs/dbraw/zinc/79/79/17/1440797917.db2.gz VDHWLNMSZUEMEL-RTBURBONSA-N 2 0 345.531 3.162 20 0 EGADRP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CCC([NH2+]CC2CCC2)CC1 ZINC001755276106 1440799134 /nfs/dbraw/zinc/79/91/34/1440799134.db2.gz SOULBURLKKWVJR-UHFFFAOYSA-N 2 0 337.552 3.124 20 0 EGADRP CN(CC(C)(C)C[NH2+]CCC1=CCCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001755282195 1440800840 /nfs/dbraw/zinc/80/08/40/1440800840.db2.gz IUBYLQHQTNPYQA-UHFFFAOYSA-N 2 0 349.563 3.435 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001755302114 1440809117 /nfs/dbraw/zinc/80/91/17/1440809117.db2.gz ZHPSHCGNTOITII-IAGOWNOFSA-N 2 0 325.541 3.124 20 0 EGADRP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001755339441 1440824734 /nfs/dbraw/zinc/82/47/34/1440824734.db2.gz JQPLRWXCMNVUCL-PMACEKPBSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001755363373 1440833165 /nfs/dbraw/zinc/83/31/65/1440833165.db2.gz IILVHVPECRVHNR-RTBURBONSA-N 2 0 337.552 3.412 20 0 EGADRP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C\c1ccccc1 ZINC001755367882 1440835545 /nfs/dbraw/zinc/83/55/45/1440835545.db2.gz JZXBFVNRGVCKPO-FNUUXAGOSA-N 2 0 343.515 3.012 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755416449 1440849047 /nfs/dbraw/zinc/84/90/47/1440849047.db2.gz UGBNLOTVSDOIPB-IDPBEMBBSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H](CCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001755505181 1440863064 /nfs/dbraw/zinc/86/30/64/1440863064.db2.gz HGWHYKSRAUELRS-KRWDZBQOSA-N 2 0 347.547 3.070 20 0 EGADRP C[N@H+](CCCC1CCC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001755530645 1440867034 /nfs/dbraw/zinc/86/70/34/1440867034.db2.gz KNVLUJXBCVXCJE-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001755534311 1440868651 /nfs/dbraw/zinc/86/86/51/1440868651.db2.gz JGDNGLABQBDYSM-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C)cs1 ZINC001755667740 1440893731 /nfs/dbraw/zinc/89/37/31/1440893731.db2.gz ZLLLGVXKZMLXLA-FUHWJXTLSA-N 2 0 349.544 3.012 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755688726 1440896259 /nfs/dbraw/zinc/89/62/59/1440896259.db2.gz FDPFJPWWDPFMFR-HMTUNPETSA-N 2 0 335.536 3.044 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001755690405 1440896673 /nfs/dbraw/zinc/89/66/73/1440896673.db2.gz OBMSEPRKRGXUDQ-MOPGFXCFSA-N 2 0 345.531 3.033 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001755694253 1440897600 /nfs/dbraw/zinc/89/76/00/1440897600.db2.gz VJLFQTKJLBJTAJ-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CCc1ccccc1C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001755722764 1440908221 /nfs/dbraw/zinc/90/82/21/1440908221.db2.gz SYOZJAUVZCMMDF-PXNSSMCTSA-N 2 0 345.531 3.060 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC1CCCCCC1 ZINC001755722833 1440908244 /nfs/dbraw/zinc/90/82/44/1440908244.db2.gz OTILJTRUZMDWMX-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001755722978 1440908266 /nfs/dbraw/zinc/90/82/66/1440908266.db2.gz UGTZMFWXVOZYTO-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)cc1C ZINC001755837196 1440930609 /nfs/dbraw/zinc/93/06/09/1440930609.db2.gz LFHAIHBIDDWGBP-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001755837101 1440930634 /nfs/dbraw/zinc/93/06/34/1440930634.db2.gz IXFNMCDYTLVFFV-MJGOQNOKSA-N 2 0 345.531 3.272 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1(C2CC[NH+](CC3CC(C)C3)CC2)CC1 ZINC001755869397 1440938654 /nfs/dbraw/zinc/93/86/54/1440938654.db2.gz FGCDDOWXRJJCQP-UHFFFAOYSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(C[NH3+])CC2)nc1 ZINC001164389802 718813334 /nfs/dbraw/zinc/81/33/34/718813334.db2.gz ZFDFGHVALNKDIK-QGZVFWFLSA-N 2 0 334.483 3.286 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824584774 946832538 /nfs/dbraw/zinc/83/25/38/946832538.db2.gz HAPFTPWIMHLASH-HZPDHXFCSA-N 2 0 342.491 3.172 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000343916834 282111552 /nfs/dbraw/zinc/11/15/52/282111552.db2.gz ALTGMAXXABMVAH-VQTJNVASSA-N 2 0 339.483 3.448 20 0 EGADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000368952679 168384894 /nfs/dbraw/zinc/38/48/94/168384894.db2.gz WMGIULMVBZAWRM-FQEVSTJZSA-N 2 0 344.499 3.305 20 0 EGADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000132930237 529585104 /nfs/dbraw/zinc/58/51/04/529585104.db2.gz FWRYOQFAUMLGRQ-UZLBHIALSA-N 2 0 332.488 3.237 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000132312115 529617055 /nfs/dbraw/zinc/61/70/55/529617055.db2.gz UVBYGYFDXWFFLH-VQTJNVASSA-N 2 0 333.520 3.008 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000177825878 529707287 /nfs/dbraw/zinc/70/72/87/529707287.db2.gz PNKHIQBDVRWQQL-QGZVFWFLSA-N 2 0 338.499 3.247 20 0 EGADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCSc1ccc(Cl)cc1 ZINC000174724682 529887629 /nfs/dbraw/zinc/88/76/29/529887629.db2.gz AVAXGTQSFPRQBV-UHFFFAOYSA-N 2 0 341.952 3.001 20 0 EGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187967911 530053790 /nfs/dbraw/zinc/05/37/90/530053790.db2.gz TWCIINJSQODBBT-RTWAWAEBSA-N 2 0 329.532 3.114 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000178008985 232056917 /nfs/dbraw/zinc/05/69/17/232056917.db2.gz YSAXEVFKVQBRSQ-AAEUAGOBSA-N 2 0 329.257 3.203 20 0 EGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000040770236 213384227 /nfs/dbraw/zinc/38/42/27/213384227.db2.gz QPLVGYMOYKVDNB-UONOGXRCSA-N 2 0 329.941 3.324 20 0 EGADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1F ZINC000128442225 222949784 /nfs/dbraw/zinc/94/97/84/222949784.db2.gz XSKXXFDVXCLZCC-SFHVURJKSA-N 2 0 325.447 3.033 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000091334796 295923016 /nfs/dbraw/zinc/92/30/16/295923016.db2.gz DWDDBADSHCGMSM-JXFKEZNVSA-N 2 0 333.495 3.283 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186565503 235943723 /nfs/dbraw/zinc/94/37/23/235943723.db2.gz XHPAHFVACVZVGE-CABCVRRESA-N 2 0 339.911 3.025 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cc2ccccc2s1)CN1CC[NH+](C)CC1 ZINC000187956095 236356044 /nfs/dbraw/zinc/35/60/44/236356044.db2.gz HHRMGJGVAUUZAR-HZPDHXFCSA-N 2 0 331.529 3.435 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000130661759 223167536 /nfs/dbraw/zinc/16/75/36/223167536.db2.gz CIHHBCGUJFOHQJ-LAUBAEHRSA-N 2 0 342.483 3.320 20 0 EGADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(Br)ccc3F)C[C@@H]21 ZINC000230045492 242224179 /nfs/dbraw/zinc/22/41/79/242224179.db2.gz FKDHNUZZVUFWEZ-RIEGTJTDSA-N 2 0 327.241 3.147 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236654550 242307939 /nfs/dbraw/zinc/30/79/39/242307939.db2.gz QJLYLXHTSDIOSZ-XGSMCBPESA-N 2 0 343.515 3.064 20 0 EGADRP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000078822466 217129312 /nfs/dbraw/zinc/12/93/12/217129312.db2.gz BNWWQTLCVNCDQC-UXHICEINSA-N 2 0 345.531 3.278 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000265209585 247301220 /nfs/dbraw/zinc/30/12/20/247301220.db2.gz UEOVNYNOCQHVPL-VQIMIIECSA-N 2 0 329.488 3.395 20 0 EGADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC000377268011 169004916 /nfs/dbraw/zinc/00/49/16/169004916.db2.gz RUAIQZPYZAXOLD-UHFFFAOYSA-N 2 0 347.522 3.454 20 0 EGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000090524501 217935471 /nfs/dbraw/zinc/93/54/71/217935471.db2.gz WTJQWHGVOVNWJR-HBMCJLEFSA-N 2 0 328.500 3.422 20 0 EGADRP C[NH+](C)CCC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000092381177 218138200 /nfs/dbraw/zinc/13/82/00/218138200.db2.gz MCFWZMYAXPZSRN-UHFFFAOYSA-N 2 0 330.451 3.380 20 0 EGADRP Cn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(-c2ccncc2)n1 ZINC000093688680 218242004 /nfs/dbraw/zinc/24/20/04/218242004.db2.gz SNNKDIPFJAKEEB-UHFFFAOYSA-N 2 0 341.503 3.036 20 0 EGADRP CC[N@@H+](Cc1cc(Br)ccc1F)CC1CC[NH2+]CC1 ZINC000094011180 218260608 /nfs/dbraw/zinc/26/06/08/218260608.db2.gz QCYFSNOIQFZILJ-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)cn1 ZINC000268799148 252252027 /nfs/dbraw/zinc/25/20/27/252252027.db2.gz XRXIGQXRWJXNSY-KRWDZBQOSA-N 2 0 344.503 3.474 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000268862025 252309513 /nfs/dbraw/zinc/30/95/13/252309513.db2.gz DWZRIZIWDGUKAY-HKUYNNGSSA-N 2 0 334.504 3.363 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1)C1CC1 ZINC000120459137 285096606 /nfs/dbraw/zinc/09/66/06/285096606.db2.gz LIPVNLLMSVHHDU-OXJNMPFZSA-N 2 0 343.515 3.083 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000153760173 224154274 /nfs/dbraw/zinc/15/42/74/224154274.db2.gz CQQUSNMUXJARPI-HUUCEWRRSA-N 2 0 335.517 3.346 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344287916 285316826 /nfs/dbraw/zinc/31/68/26/285316826.db2.gz JFJXTOLIBLIMSD-HSALFYBXSA-N 2 0 332.463 3.171 20 0 EGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccn2C)CC1 ZINC000119085544 221241078 /nfs/dbraw/zinc/24/10/78/221241078.db2.gz CEAZIJDYZBENDU-MRXNPFEDSA-N 2 0 344.478 3.157 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000154951239 224333141 /nfs/dbraw/zinc/33/31/41/224333141.db2.gz JGEBSCTUTANVRA-IRXDYDNUSA-N 2 0 341.499 3.135 20 0 EGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000090524521 285362120 /nfs/dbraw/zinc/36/21/20/285362120.db2.gz WTJQWHGVOVNWJR-HKBOAZHASA-N 2 0 328.500 3.422 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000165276906 533426102 /nfs/dbraw/zinc/42/61/02/533426102.db2.gz YQACAZCSYRMGCJ-JKSUJKDBSA-N 2 0 331.460 3.026 20 0 EGADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000246864446 141039524 /nfs/dbraw/zinc/03/95/24/141039524.db2.gz CQLVGNNCXHCXGG-JYRKZWEQSA-N 2 0 329.532 3.359 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000338031669 141077334 /nfs/dbraw/zinc/07/73/34/141077334.db2.gz VYKKCUFGAVWQLN-UHFFFAOYSA-N 2 0 333.520 3.236 20 0 EGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342810259 141149682 /nfs/dbraw/zinc/14/96/82/141149682.db2.gz PYWFEZLRLGWVNV-JXFKEZNVSA-N 2 0 349.482 3.001 20 0 EGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H]1CCCOC1 ZINC000344486911 141164165 /nfs/dbraw/zinc/16/41/65/141164165.db2.gz RZDLYNLFKUPKMA-QGZVFWFLSA-N 2 0 328.456 3.428 20 0 EGADRP CC[N@H+](CCCC1CC[NH+](C[C@H]2CCCO2)CC1)C[C@H]1CCCO1 ZINC000346456340 141198341 /nfs/dbraw/zinc/19/83/41/141198341.db2.gz OHINRIYXCKRUIP-WOJBJXKFSA-N 2 0 338.536 3.159 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000346633503 141208583 /nfs/dbraw/zinc/20/85/83/141208583.db2.gz DZVRLWPYYILITH-UHFFFAOYSA-N 2 0 339.483 3.482 20 0 EGADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000350559707 141254051 /nfs/dbraw/zinc/25/40/51/141254051.db2.gz SECCEOGXGGABBF-NHCUHLMSSA-N 2 0 341.543 3.140 20 0 EGADRP Fc1cccc(N2CCCC2)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347032429 144251360 /nfs/dbraw/zinc/25/13/60/144251360.db2.gz AZPWQRFEIWNNMU-IBGZPJMESA-N 2 0 331.479 3.390 20 0 EGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403305 144264415 /nfs/dbraw/zinc/26/44/15/144264415.db2.gz CQCRMFWRNYKIOT-RTWAWAEBSA-N 2 0 329.532 3.315 20 0 EGADRP COCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CC=CCC1 ZINC000361685291 144350374 /nfs/dbraw/zinc/35/03/74/144350374.db2.gz DIPPWFPGOVOSJD-GOSISDBHSA-N 2 0 340.471 3.380 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000180735481 286198198 /nfs/dbraw/zinc/19/81/98/286198198.db2.gz UHWXTBJAXGKVNC-ICSRJNTNSA-N 2 0 327.472 3.117 20 0 EGADRP Cc1nc2ccccc2n1CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000120668651 152292451 /nfs/dbraw/zinc/29/24/51/152292451.db2.gz UFVAMRMMJBAYDM-JYJNAYRXSA-N 2 0 342.487 3.112 20 0 EGADRP CCOc1ccc(CN2CCN(c3cc(C)ccn3)CC2)cc1OC ZINC000120922270 152309575 /nfs/dbraw/zinc/30/95/75/152309575.db2.gz ZBYMWWWBAIADEP-UHFFFAOYSA-N 2 0 341.455 3.120 20 0 EGADRP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000192805672 153261563 /nfs/dbraw/zinc/26/15/63/153261563.db2.gz ZFHXPNGSBPZLSG-MGNMYUMUSA-N 2 0 349.906 3.142 20 0 EGADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1OC ZINC000194262039 153328910 /nfs/dbraw/zinc/32/89/10/153328910.db2.gz QNHUPUVRLQHGCA-OALUTQOASA-N 2 0 333.520 3.008 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000178034186 286369385 /nfs/dbraw/zinc/36/93/85/286369385.db2.gz BONBVDDFVZDSHT-OAGGEKHMSA-N 2 0 338.467 3.374 20 0 EGADRP CCOc1c(Cl)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262142814 153786817 /nfs/dbraw/zinc/78/68/17/153786817.db2.gz ZFNDBIRBZUNRCN-UHFFFAOYSA-N 2 0 338.879 3.323 20 0 EGADRP [NH3+]CCC[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000310030776 154139195 /nfs/dbraw/zinc/13/91/95/154139195.db2.gz NCZBGEVXWGZINT-UHFFFAOYSA-N 2 0 329.419 3.005 20 0 EGADRP COCC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000336731201 154211686 /nfs/dbraw/zinc/21/16/86/154211686.db2.gz YOSGUSPKAIUYKF-WOJBJXKFSA-N 2 0 328.500 3.257 20 0 EGADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000337336834 154290296 /nfs/dbraw/zinc/29/02/96/154290296.db2.gz MIXBBMGDXIXUFN-SDNWHVSQSA-N 2 0 342.405 3.155 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000337410259 154339050 /nfs/dbraw/zinc/33/90/50/154339050.db2.gz WMTUXWUVKRSPGE-SZMVWBNQSA-N 2 0 334.504 3.406 20 0 EGADRP C[C@@H](C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000339990132 155062448 /nfs/dbraw/zinc/06/24/48/155062448.db2.gz XLHWKWNYJFNALL-RBUKOAKNSA-N 2 0 345.531 3.123 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346820731 156151302 /nfs/dbraw/zinc/15/13/02/156151302.db2.gz IGXMLMOBTZJNEC-JBACZVJFSA-N 2 0 338.499 3.026 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](CCCC2CCOCC2)CC1 ZINC000346914998 156194142 /nfs/dbraw/zinc/19/41/42/156194142.db2.gz KZWLAZXXTHGMKY-UHFFFAOYSA-N 2 0 326.525 3.016 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000347029588 156256813 /nfs/dbraw/zinc/25/68/13/156256813.db2.gz WQEXQIPVKWHUFK-IBGZPJMESA-N 2 0 340.471 3.049 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2c(cccc2F)[nH]1 ZINC000348933726 156292921 /nfs/dbraw/zinc/29/29/21/156292921.db2.gz KXNGXFXQEYPGQS-UHFFFAOYSA-N 2 0 334.483 3.012 20 0 EGADRP Cc1ccc2cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc2n1 ZINC000348933706 156293223 /nfs/dbraw/zinc/29/32/23/156293223.db2.gz KIKXALWXMSHUTN-UHFFFAOYSA-N 2 0 342.531 3.249 20 0 EGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000107371373 162066046 /nfs/dbraw/zinc/06/60/46/162066046.db2.gz AWPWHPCOEDSQLO-NRFANRHFSA-N 2 0 329.532 3.097 20 0 EGADRP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114455549 162234745 /nfs/dbraw/zinc/23/47/45/162234745.db2.gz MQTMDYCQCXQEKA-FQEVSTJZSA-N 2 0 343.515 3.121 20 0 EGADRP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123270315 162254200 /nfs/dbraw/zinc/25/42/00/162254200.db2.gz HQIUXXMJWBSNEC-SFHVURJKSA-N 2 0 345.531 3.087 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475698 162274507 /nfs/dbraw/zinc/27/45/07/162274507.db2.gz QDRQKNVYKAIGNZ-GPMSIDNRSA-N 3 0 335.561 3.278 20 0 EGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248458885 163006595 /nfs/dbraw/zinc/00/65/95/163006595.db2.gz VGZKJVPYRFQEAH-BSLALVQMSA-N 2 0 336.479 3.276 20 0 EGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000248919911 163046776 /nfs/dbraw/zinc/04/67/76/163046776.db2.gz DYLLAMQNOFIDDX-ACRUOGEOSA-N 2 0 329.532 3.359 20 0 EGADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248969768 163048436 /nfs/dbraw/zinc/04/84/36/163048436.db2.gz CGUJRMAGUZCWFB-XIYVOTBMSA-N 2 0 328.500 3.038 20 0 EGADRP CC(C)CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000338697343 163322166 /nfs/dbraw/zinc/32/21/66/163322166.db2.gz WBSUSGNOOVHCOM-LJQANCHMSA-N 2 0 330.520 3.138 20 0 EGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000338772320 163344051 /nfs/dbraw/zinc/34/40/51/163344051.db2.gz BNUOTOIGUPAPFF-UHFFFAOYSA-N 2 0 343.515 3.036 20 0 EGADRP CSc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343709172 164017612 /nfs/dbraw/zinc/01/76/12/164017612.db2.gz CVSQZVXMNQMBSB-INIZCTEOSA-N 2 0 333.545 3.009 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)cc1 ZINC000343808520 164039464 /nfs/dbraw/zinc/03/94/64/164039464.db2.gz BMTRLTUILOQVLA-OXJNMPFZSA-N 2 0 343.515 3.131 20 0 EGADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)c2)CC1 ZINC000343841988 164049031 /nfs/dbraw/zinc/04/90/31/164049031.db2.gz ABHUVZQSJRILDN-XLIONFOSSA-N 2 0 343.515 3.288 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000343922563 164067037 /nfs/dbraw/zinc/06/70/37/164067037.db2.gz FYIVBLRQWVMEGW-LJQANCHMSA-N 2 0 343.446 3.328 20 0 EGADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)s1 ZINC000343944229 164070217 /nfs/dbraw/zinc/07/02/17/164070217.db2.gz VUFNBDRGFOHBJI-CQSZACIVSA-N 2 0 333.501 3.497 20 0 EGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CC2 ZINC000343970034 164074701 /nfs/dbraw/zinc/07/47/01/164074701.db2.gz BYBUQBRORZQXGJ-IBGZPJMESA-N 2 0 325.456 3.108 20 0 EGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCC2 ZINC000344075286 164097214 /nfs/dbraw/zinc/09/72/14/164097214.db2.gz MZPJVGJYUFHLDJ-WOJBJXKFSA-N 2 0 346.515 3.454 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+](CC)CC ZINC000345792014 164266990 /nfs/dbraw/zinc/26/69/90/164266990.db2.gz GHOCBFUHWRDSDV-CVEARBPZSA-N 2 0 337.533 3.122 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(NCC2CC2)ncn1 ZINC000345851616 164279199 /nfs/dbraw/zinc/27/91/99/164279199.db2.gz NLATYHONHXICSF-UHFFFAOYSA-N 2 0 339.487 3.173 20 0 EGADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC[NH+](C(C)C)C(C)C ZINC000346313146 164367518 /nfs/dbraw/zinc/36/75/18/164367518.db2.gz FFSVDWWWEUTFQR-UHFFFAOYSA-N 2 0 329.492 3.126 20 0 EGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000351929911 165155055 /nfs/dbraw/zinc/15/50/55/165155055.db2.gz JNBILQIPFCPGFC-ZJRDLVKKSA-N 2 0 345.531 3.034 20 0 EGADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000355124621 166112905 /nfs/dbraw/zinc/11/29/05/166112905.db2.gz QXDUUICTVNIIFY-UYAOXDASSA-N 2 0 330.520 3.152 20 0 EGADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000355413694 166190778 /nfs/dbraw/zinc/19/07/78/166190778.db2.gz GADGNHMGWRRIME-IRXDYDNUSA-N 2 0 348.535 3.145 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000355498029 166222804 /nfs/dbraw/zinc/22/28/04/166222804.db2.gz YTKCMLRUUGOECR-LJQANCHMSA-N 2 0 331.504 3.062 20 0 EGADRP CC[NH+](CC)CCCCNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000355585694 166251280 /nfs/dbraw/zinc/25/12/80/166251280.db2.gz MKVSHQNQEQLQNV-QGZVFWFLSA-N 2 0 339.911 3.181 20 0 EGADRP Cc1[nH+]ccc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000355676676 166280956 /nfs/dbraw/zinc/28/09/56/166280956.db2.gz BLRWVILGBSSBLI-IBGZPJMESA-N 2 0 345.874 3.117 20 0 EGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)CC1CC1 ZINC000355893201 166339854 /nfs/dbraw/zinc/33/98/54/166339854.db2.gz IJXIQMHAEZXBDE-UHFFFAOYSA-N 2 0 343.515 3.120 20 0 EGADRP CC[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000356103075 166399608 /nfs/dbraw/zinc/39/96/08/166399608.db2.gz DNHWSENCLPRXPI-SOAGJPPSSA-N 2 0 343.515 3.030 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000359219002 167098583 /nfs/dbraw/zinc/09/85/83/167098583.db2.gz DJJVKMBQIBXQQA-UHFFFAOYSA-N 2 0 349.519 3.030 20 0 EGADRP CCOC(=O)[C@H](CC(C)C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000360198478 167268300 /nfs/dbraw/zinc/26/83/00/167268300.db2.gz HJQLPTWNXDESHO-IBGZPJMESA-N 2 0 347.503 3.208 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1)C(C)C ZINC000361080436 167513844 /nfs/dbraw/zinc/51/38/44/167513844.db2.gz NYOIEWDXEGXXPG-UXHICEINSA-N 2 0 343.515 3.035 20 0 EGADRP Cn1nccc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000365927810 168060690 /nfs/dbraw/zinc/06/06/90/168060690.db2.gz MGJIPNKIQIIIHK-CEWLAPEOSA-N 2 0 338.499 3.201 20 0 EGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000366195274 168092788 /nfs/dbraw/zinc/09/27/88/168092788.db2.gz UYZPKXIZDIEYNV-GOSISDBHSA-N 2 0 337.458 3.225 20 0 EGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000366335825 168107592 /nfs/dbraw/zinc/10/75/92/168107592.db2.gz XBKUIBOOLSFECF-UHFFFAOYSA-N 2 0 340.471 3.035 20 0 EGADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000366965940 168163069 /nfs/dbraw/zinc/16/30/69/168163069.db2.gz JKMNDPRMKYCGQJ-IAGOWNOFSA-N 2 0 348.535 3.094 20 0 EGADRP C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cccc(N2CCOC2=O)c1 ZINC000367439241 168226271 /nfs/dbraw/zinc/22/62/71/168226271.db2.gz SLQIQTOQDQBJGX-AWEZNQCLSA-N 2 0 340.427 3.027 20 0 EGADRP c1cncc([C@H]2OCC[C@@H]2NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000367469177 168230479 /nfs/dbraw/zinc/23/04/79/168230479.db2.gz JXJIVTWGXMGBCJ-VQTJNVASSA-N 2 0 329.488 3.298 20 0 EGADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353459203 287314428 /nfs/dbraw/zinc/31/44/28/287314428.db2.gz LHTXQAOCXRPDAL-GTAWCEEGSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(C)s1 ZINC000159133383 225154779 /nfs/dbraw/zinc/15/47/79/225154779.db2.gz CMTXNEXOKBRRFM-HNNXBMFYSA-N 2 0 344.528 3.363 20 0 EGADRP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000168509334 226218139 /nfs/dbraw/zinc/21/81/39/226218139.db2.gz JGSVONFGWIUOHM-RNQOJCNYSA-N 2 0 343.515 3.015 20 0 EGADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000123221313 222238407 /nfs/dbraw/zinc/23/84/07/222238407.db2.gz WUSCASLFSLCYSL-HSALFYBXSA-N 2 0 330.516 3.395 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000123583044 222300539 /nfs/dbraw/zinc/30/05/39/222300539.db2.gz VLLYODQVSWFXBS-UZLBHIALSA-N 2 0 328.456 3.011 20 0 EGADRP CCc1cc(NC[C@@H](C)N2CC[NH+](CC)CC2)c2ccccc2[nH+]1 ZINC000123697820 222319502 /nfs/dbraw/zinc/31/95/02/222319502.db2.gz VSPZGGRDBYCHIX-MRXNPFEDSA-N 2 0 326.488 3.235 20 0 EGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000177490856 265258788 /nfs/dbraw/zinc/25/87/88/265258788.db2.gz LWMURBWDFFTNOM-IXDOHACOSA-N 2 0 339.524 3.096 20 0 EGADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000229067057 266203103 /nfs/dbraw/zinc/20/31/03/266203103.db2.gz YCKPZZOGLXHJKF-HZPDHXFCSA-N 2 0 327.513 3.001 20 0 EGADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265630496 266271010 /nfs/dbraw/zinc/27/10/10/266271010.db2.gz FGBGSYASTNDVHM-KRWDZBQOSA-N 2 0 326.488 3.066 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273258283 267007908 /nfs/dbraw/zinc/00/79/08/267007908.db2.gz SRYJJGNHCZLOGN-IEBWSBKVSA-N 2 0 345.531 3.134 20 0 EGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Br)ncc1F ZINC000273843107 267122470 /nfs/dbraw/zinc/12/24/70/267122470.db2.gz IIAJQKLPONODTR-NSHDSACASA-N 2 0 344.272 3.366 20 0 EGADRP CCSc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000274400972 267230028 /nfs/dbraw/zinc/23/00/28/267230028.db2.gz FVQTZYLWNPQVMG-MOPGFXCFSA-N 2 0 334.529 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759424 267282070 /nfs/dbraw/zinc/28/20/70/267282070.db2.gz JQIAGIAVSNETNT-QUCCMNQESA-N 3 0 329.532 3.219 20 0 EGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759425 267282469 /nfs/dbraw/zinc/28/24/69/267282469.db2.gz JQIAGIAVSNETNT-UYAOXDASSA-N 3 0 329.532 3.219 20 0 EGADRP C[N@H+](CCC[NH+]1CCCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000275417228 267358127 /nfs/dbraw/zinc/35/81/27/267358127.db2.gz FIVQOUPBXBGVSE-UHFFFAOYSA-N 2 0 343.515 3.099 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H](C)C2 ZINC000343985918 274778740 /nfs/dbraw/zinc/77/87/40/274778740.db2.gz MVWDMPOCUWMSOB-IIBYNOLFSA-N 2 0 339.483 3.354 20 0 EGADRP CSc1ccccc1[C@@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000282123907 275604321 /nfs/dbraw/zinc/60/43/21/275604321.db2.gz QXIXCPBJUTURFS-QGZVFWFLSA-N 2 0 335.561 3.475 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccnn2CCCOC)cc1 ZINC000282563052 275648034 /nfs/dbraw/zinc/64/80/34/275648034.db2.gz DODMWBFXLJWMBJ-UHFFFAOYSA-N 2 0 344.503 3.051 20 0 EGADRP CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000286073533 275948323 /nfs/dbraw/zinc/94/83/23/275948323.db2.gz CJSLOWQDPROLBD-UHFFFAOYSA-N 2 0 331.504 3.086 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353294732 276195848 /nfs/dbraw/zinc/19/58/48/276195848.db2.gz WATNGKUCUKCNHM-JKSUJKDBSA-N 2 0 331.495 3.064 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H](C)CCSC)CC1 ZINC000353799684 276203421 /nfs/dbraw/zinc/20/34/21/276203421.db2.gz BLPYDERFXOHOPK-QGZVFWFLSA-N 2 0 335.561 3.402 20 0 EGADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCN1CC[NH+](C)CC1 ZINC000289337940 276324118 /nfs/dbraw/zinc/32/41/18/276324118.db2.gz WPFQECALSWUIGU-HXUWFJFHSA-N 2 0 340.515 3.081 20 0 EGADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000344849913 276333987 /nfs/dbraw/zinc/33/39/87/276333987.db2.gz WCZIZBMSFREZOX-MJGOQNOKSA-N 2 0 343.519 3.336 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000345965835 276353769 /nfs/dbraw/zinc/35/37/69/276353769.db2.gz RLEJTEVKROLMNW-IAGOWNOFSA-N 2 0 343.515 3.226 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000290286746 276475238 /nfs/dbraw/zinc/47/52/38/276475238.db2.gz MNFPOTQCLHOBTL-SJLPKXTDSA-N 2 0 340.467 3.454 20 0 EGADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3c[nH]c4nccnc34)c2)CC1 ZINC000290830329 276547649 /nfs/dbraw/zinc/54/76/49/276547649.db2.gz HYUPZOZOHWMXIC-UHFFFAOYSA-N 2 0 349.482 3.480 20 0 EGADRP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000353523792 276791988 /nfs/dbraw/zinc/79/19/88/276791988.db2.gz BMAGJXPVSPYTHS-UHFFFAOYSA-N 2 0 347.890 3.431 20 0 EGADRP C[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181704043 278349357 /nfs/dbraw/zinc/34/93/57/278349357.db2.gz LLKMTRFWKNUDCL-ZIAGYGMSSA-N 2 0 335.879 3.373 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000236917530 279137190 /nfs/dbraw/zinc/13/71/90/279137190.db2.gz NZAQOOMNUUESBA-KRWDZBQOSA-N 2 0 345.531 3.170 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000264464456 279140128 /nfs/dbraw/zinc/14/01/28/279140128.db2.gz ZFKUEUHQZYMRNO-HXUWFJFHSA-N 2 0 345.531 3.401 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000354284592 279154597 /nfs/dbraw/zinc/15/45/97/279154597.db2.gz XWYIBNOPESJNHX-NSHGMRRFSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CC)C[C@H]2C)cc1)C(C)C ZINC000341841126 279234837 /nfs/dbraw/zinc/23/48/37/279234837.db2.gz NRSMFTOWIKLYTK-QGZVFWFLSA-N 2 0 331.504 3.083 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000121161741 279362533 /nfs/dbraw/zinc/36/25/33/279362533.db2.gz JZEIZCBUQCSICY-UYAOXDASSA-N 2 0 345.531 3.072 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+][C@@H]2CCCOc3ccccc32)C[C@H](C)O1 ZINC000162863265 300255043 /nfs/dbraw/zinc/25/50/43/300255043.db2.gz GTNHGVUJQHAUSV-JENIJYKNSA-N 2 0 332.488 3.379 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155065746 302561649 /nfs/dbraw/zinc/56/16/49/302561649.db2.gz DCQWDFKWUNQQIX-KBPBESRZSA-N 2 0 338.565 3.036 20 0 EGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000052442344 307331869 /nfs/dbraw/zinc/33/18/69/307331869.db2.gz DWDYFYQNAZGJCL-HZPDHXFCSA-N 2 0 349.494 3.055 20 0 EGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000073377548 307385543 /nfs/dbraw/zinc/38/55/43/307385543.db2.gz RULIZCHJKOGWEN-UHFFFAOYSA-N 2 0 345.531 3.006 20 0 EGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000121374797 307518531 /nfs/dbraw/zinc/51/85/31/307518531.db2.gz WXAYXPKNUHMSCL-RBBKRZOGSA-N 2 0 345.575 3.425 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)c1 ZINC000414084547 309060034 /nfs/dbraw/zinc/06/00/34/309060034.db2.gz FLIMNWIMDNIOLS-YSSFQJQWSA-N 2 0 332.488 3.032 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CC[NH+](C)CC1 ZINC000414114515 309061781 /nfs/dbraw/zinc/06/17/81/309061781.db2.gz LWQPLHIOTQCJFM-SZVBFZGTSA-N 2 0 335.923 3.202 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414124769 309062312 /nfs/dbraw/zinc/06/23/12/309062312.db2.gz CLNACVNBWPBFNJ-XLIONFOSSA-N 2 0 339.483 3.133 20 0 EGADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414161248 309063997 /nfs/dbraw/zinc/06/39/97/309063997.db2.gz KCDJBPUJXWIODO-QZTJIDSGSA-N 2 0 349.519 3.094 20 0 EGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc2c(s1)CCCC2 ZINC000150968887 307726501 /nfs/dbraw/zinc/72/65/01/307726501.db2.gz UALHYMZCQNVLRQ-OAHLLOKOSA-N 2 0 335.561 3.304 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000150985749 307726789 /nfs/dbraw/zinc/72/67/89/307726789.db2.gz RPGSZGATTCCFCC-IAGOWNOFSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000163538417 307922901 /nfs/dbraw/zinc/92/29/01/307922901.db2.gz RZAQKOMHZJWFEA-OAHLLOKOSA-N 2 0 349.494 3.103 20 0 EGADRP CCc1ncc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000414365153 309075558 /nfs/dbraw/zinc/07/55/58/309075558.db2.gz KAUPZQACDCWXDR-HKUYNNGSSA-N 2 0 338.499 3.429 20 0 EGADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248817991 308012251 /nfs/dbraw/zinc/01/22/51/308012251.db2.gz LDNJSAKVGZLDQO-QQXMDYFESA-N 2 0 344.499 3.074 20 0 EGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292823349 308069864 /nfs/dbraw/zinc/06/98/64/308069864.db2.gz AAIQKLJCEQPRNA-SFHVURJKSA-N 2 0 335.879 3.086 20 0 EGADRP Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000292828984 308070194 /nfs/dbraw/zinc/07/01/94/308070194.db2.gz UACWATXKJKEMHE-HNNXBMFYSA-N 2 0 342.443 3.279 20 0 EGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000293600617 308145364 /nfs/dbraw/zinc/14/53/64/308145364.db2.gz DIBOAQPJWTZVLL-IBGZPJMESA-N 2 0 345.531 3.440 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293611701 308146207 /nfs/dbraw/zinc/14/62/07/308146207.db2.gz GPTZNRBDCQESOT-INIZCTEOSA-N 2 0 345.487 3.416 20 0 EGADRP COCC1(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000293629874 308147577 /nfs/dbraw/zinc/14/75/77/308147577.db2.gz GJCSQKZOWDEINW-KRWDZBQOSA-N 2 0 334.504 3.484 20 0 EGADRP C[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)CN1CC[NH+](C)CC1 ZINC000293765358 308159867 /nfs/dbraw/zinc/15/98/67/308159867.db2.gz PGWIOKHCQYVFFM-OXJNMPFZSA-N 2 0 349.950 3.134 20 0 EGADRP C[C@H](O)C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294358698 308213640 /nfs/dbraw/zinc/21/36/40/308213640.db2.gz ZVDPAVMRYFJDPD-HKUYNNGSSA-N 2 0 339.483 3.195 20 0 EGADRP CC[C@@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H](O)C(C)C ZINC000414531004 309086894 /nfs/dbraw/zinc/08/68/94/309086894.db2.gz RFPZVHMBUJLKDW-TZIWHRDSSA-N 2 0 347.547 3.102 20 0 EGADRP c1sc(COc2ccccc2)nc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414857018 309105932 /nfs/dbraw/zinc/10/59/32/309105932.db2.gz ZMIGVBVGLSTNMF-OAHLLOKOSA-N 2 0 331.485 3.201 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2C)cc1 ZINC000294793742 308257694 /nfs/dbraw/zinc/25/76/94/308257694.db2.gz OQTCWOOYXFBCLE-HXUWFJFHSA-N 2 0 339.483 3.153 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)O[C@@H]3C)CC2)cc1 ZINC000295147972 308296946 /nfs/dbraw/zinc/29/69/46/308296946.db2.gz JGUPRKIADIYXSE-JXXFODFXSA-N 2 0 332.488 3.063 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414704673 309096356 /nfs/dbraw/zinc/09/63/56/309096356.db2.gz MQUSUXNCPOXOMJ-SJORKVTESA-N 2 0 326.488 3.329 20 0 EGADRP C[C@@H]1C[C@@H](C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414716126 309097000 /nfs/dbraw/zinc/09/70/00/309097000.db2.gz ZJPDNCZMVIZGIS-OCCSQVGLSA-N 2 0 331.287 3.176 20 0 EGADRP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)CC(C)(C)C[NH3+] ZINC000414662039 309094455 /nfs/dbraw/zinc/09/44/55/309094455.db2.gz POQPOBHXABFKKU-UHFFFAOYSA-N 2 0 340.393 3.308 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414665826 309094556 /nfs/dbraw/zinc/09/45/56/309094556.db2.gz VZDLJNSFNGJNGJ-UHFFFAOYSA-N 2 0 330.451 3.141 20 0 EGADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744340 309098393 /nfs/dbraw/zinc/09/83/93/309098393.db2.gz PLXMVWAJRXBMCQ-BAGYTPMASA-N 3 0 341.543 3.363 20 0 EGADRP C[C@@H]1C[C@@H](C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000414752653 309098782 /nfs/dbraw/zinc/09/87/82/309098782.db2.gz LAEBKLSWJJAYSH-CTNGQTDRSA-N 3 0 341.543 3.363 20 0 EGADRP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000414773756 309100159 /nfs/dbraw/zinc/10/01/59/309100159.db2.gz DZQPTYDSEBWLJE-QWHCGFSZSA-N 2 0 341.268 3.410 20 0 EGADRP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000414777800 309100453 /nfs/dbraw/zinc/10/04/53/309100453.db2.gz OXJXVZAWMZBMEU-UHFFFAOYSA-N 2 0 325.456 3.199 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000414779014 309100457 /nfs/dbraw/zinc/10/04/57/309100457.db2.gz GZPCXXXVBFVIDZ-CTNGQTDRSA-N 2 0 344.499 3.336 20 0 EGADRP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778450 309100462 /nfs/dbraw/zinc/10/04/62/309100462.db2.gz IWDLRABZIVSECH-LSDHHAIUSA-N 2 0 328.485 3.027 20 0 EGADRP Fc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781100 309100709 /nfs/dbraw/zinc/10/07/09/309100709.db2.gz MNIMZPSSZAKYFT-CHWSQXEVSA-N 2 0 341.268 3.410 20 0 EGADRP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782233 309100802 /nfs/dbraw/zinc/10/08/02/309100802.db2.gz NZQKPALMHBNLMK-ZIAGYGMSSA-N 2 0 332.879 3.048 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788936 309101274 /nfs/dbraw/zinc/10/12/74/309101274.db2.gz XNGQDJROQQWDRW-OALUTQOASA-N 2 0 338.499 3.311 20 0 EGADRP COc1cc(CN[C@H](C[NH3+])C2CC2)ccc1OCc1cccs1 ZINC000414790880 309101546 /nfs/dbraw/zinc/10/15/46/309101546.db2.gz AOCBPSKRZLKCPA-MRXNPFEDSA-N 2 0 332.469 3.163 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414805814 309102561 /nfs/dbraw/zinc/10/25/61/309102561.db2.gz PVIUMRBYWLWJIY-KDOFPFPSSA-N 2 0 332.879 3.441 20 0 EGADRP CCCCOc1ncccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298597993 308627207 /nfs/dbraw/zinc/62/72/07/308627207.db2.gz YYHDTPGDALDAAF-UHFFFAOYSA-N 2 0 340.471 3.414 20 0 EGADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000414812236 309103192 /nfs/dbraw/zinc/10/31/92/309103192.db2.gz XHMWFIDDQNLVRX-XLIONFOSSA-N 2 0 325.456 3.268 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000414828221 309104173 /nfs/dbraw/zinc/10/41/73/309104173.db2.gz LWHNCOZOADRECK-CQSZACIVSA-N 2 0 339.886 3.033 20 0 EGADRP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414829159 309104278 /nfs/dbraw/zinc/10/42/78/309104278.db2.gz NFIRKQZGMCJSTI-LLVKDONJSA-N 2 0 349.219 3.140 20 0 EGADRP Clc1ccc(OCc2cccnc2)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414832708 309104378 /nfs/dbraw/zinc/10/43/78/309104378.db2.gz OPKQASSRORDHEN-OAHLLOKOSA-N 2 0 345.874 3.403 20 0 EGADRP CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414848922 309105312 /nfs/dbraw/zinc/10/53/12/309105312.db2.gz GWLMFQMKVWRXFC-OCCSQVGLSA-N 2 0 326.868 3.225 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000411369369 308935976 /nfs/dbraw/zinc/93/59/76/308935976.db2.gz YAPRYZCESVIZOW-QZTJIDSGSA-N 2 0 337.552 3.170 20 0 EGADRP CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412015082 308962580 /nfs/dbraw/zinc/96/25/80/308962580.db2.gz RYLFQFGOPZNNGR-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CCCCN(C(=O)[C@H](CC)[NH+](C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000413355519 309028474 /nfs/dbraw/zinc/02/84/74/309028474.db2.gz FDOHZUUWFGKLRJ-INIZCTEOSA-N 2 0 325.541 3.265 20 0 EGADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414887788 309107384 /nfs/dbraw/zinc/10/73/84/309107384.db2.gz ZNXLJDKPAWSRGD-CYBMUJFWSA-N 2 0 331.847 3.277 20 0 EGADRP C[C@]1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[NH2+]C1 ZINC000414911544 309108772 /nfs/dbraw/zinc/10/87/72/309108772.db2.gz ULTMTWQROSTTIA-FQEVSTJZSA-N 2 0 325.456 3.140 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000414915206 309109072 /nfs/dbraw/zinc/10/90/72/309109072.db2.gz ZATJMORVOYYNRL-CQSZACIVSA-N 2 0 337.895 3.345 20 0 EGADRP CC1(C)CCC[NH2+][C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000414921117 309109485 /nfs/dbraw/zinc/10/94/85/309109485.db2.gz ATLCEJMBSKRSNX-FQEVSTJZSA-N 2 0 329.532 3.061 20 0 EGADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000414949590 309110845 /nfs/dbraw/zinc/11/08/45/309110845.db2.gz NUWDYPMSHJIGDO-IAQYHMDHSA-N 2 0 338.377 3.326 20 0 EGADRP CCOc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc(Cl)c1OC ZINC000414969773 309112286 /nfs/dbraw/zinc/11/22/86/309112286.db2.gz JMBXBGADHPFBIG-CQSZACIVSA-N 2 0 326.868 3.369 20 0 EGADRP CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414975179 309112296 /nfs/dbraw/zinc/11/22/96/309112296.db2.gz LHTPJPZJBQACST-LJQANCHMSA-N 2 0 346.519 3.210 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000414989133 309113037 /nfs/dbraw/zinc/11/30/37/309113037.db2.gz GSXJAZQNONQTIZ-WMZOPIPTSA-N 2 0 325.456 3.268 20 0 EGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415005745 309113795 /nfs/dbraw/zinc/11/37/95/309113795.db2.gz PSFAHKXZIHSLCC-GDBMZVCRSA-N 2 0 348.441 3.374 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000415017112 309114615 /nfs/dbraw/zinc/11/46/15/309114615.db2.gz DVFYNKCIHCYPMB-SECBINFHSA-N 2 0 337.208 3.268 20 0 EGADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000415023178 309114986 /nfs/dbraw/zinc/11/49/86/309114986.db2.gz MJQMVDMWKYHACE-CJNGLKHVSA-N 2 0 326.868 3.115 20 0 EGADRP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415031552 309115385 /nfs/dbraw/zinc/11/53/85/309115385.db2.gz HBHGVVGMOGBHGA-TZMCWYRMSA-N 2 0 326.868 3.354 20 0 EGADRP c1ccc(CC[C@@H](Cc2ccccc2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415042639 309116022 /nfs/dbraw/zinc/11/60/22/309116022.db2.gz QUABYMVGFFGMHR-FCHUYYIVSA-N 2 0 338.495 3.199 20 0 EGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415046323 309116270 /nfs/dbraw/zinc/11/62/70/309116270.db2.gz UYMXFSYMJDGFLO-HOCLYGCPSA-N 2 0 332.879 3.360 20 0 EGADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000415054398 309116961 /nfs/dbraw/zinc/11/69/61/309116961.db2.gz NKPKHJJEJVBEPS-OAQYLSRUSA-N 2 0 338.499 3.116 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC(F)F ZINC000415057070 309117072 /nfs/dbraw/zinc/11/70/72/309117072.db2.gz TVDUWULUPLJHRJ-CABCVRRESA-N 2 0 340.414 3.261 20 0 EGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415077802 309118660 /nfs/dbraw/zinc/11/86/60/309118660.db2.gz FMJNXADWMLGEKA-NVXWUHKLSA-N 2 0 330.451 3.412 20 0 EGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415077834 309118668 /nfs/dbraw/zinc/11/86/68/309118668.db2.gz FPBFSZDHWRUDRM-FXAWDEMLSA-N 2 0 326.488 3.332 20 0 EGADRP COc1ccc(C2(C[NH2+]C[C@@H]3CCC[NH2+]C3)CCCCC2)cc1OC ZINC000415083465 309119065 /nfs/dbraw/zinc/11/90/65/309119065.db2.gz FNZVNRYIMMPRRD-QGZVFWFLSA-N 2 0 346.515 3.495 20 0 EGADRP C[C@H]1C[C@H](C[NH2+]Cc2cccnc2Oc2cccc(F)c2)CC[NH2+]1 ZINC000415087324 309119374 /nfs/dbraw/zinc/11/93/74/309119374.db2.gz VZCUYLBSGCEDJM-LSDHHAIUSA-N 2 0 329.419 3.491 20 0 EGADRP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000415088117 309119447 /nfs/dbraw/zinc/11/94/47/309119447.db2.gz XBGLFZDVASTMBP-RBSFLKMASA-N 2 0 343.393 3.033 20 0 EGADRP [NH3+]C[C@H]1C[N@H+](CC(Cc2ccccc2)Cc2ccccc2)CCCO1 ZINC000415117477 309121396 /nfs/dbraw/zinc/12/13/96/309121396.db2.gz ZJHSGBQTRFXWMC-QFIPXVFZSA-N 2 0 338.495 3.138 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)C1 ZINC000415117218 309121487 /nfs/dbraw/zinc/12/14/87/309121487.db2.gz BYPOJWUVPQBSBN-IAGOWNOFSA-N 2 0 326.843 3.197 20 0 EGADRP CC(C)Oc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415123534 309121850 /nfs/dbraw/zinc/12/18/50/309121850.db2.gz LDWJHOFNLZELHF-AZUAARDMSA-N 2 0 332.488 3.192 20 0 EGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCSCc3ccccc3)CC2)C1 ZINC000415124780 309122076 /nfs/dbraw/zinc/12/20/76/309122076.db2.gz NHRQWPWLVUBIMG-MOPGFXCFSA-N 2 0 334.529 3.138 20 0 EGADRP CC[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)Oc1ccccc1C(F)(F)F ZINC000415126212 309122224 /nfs/dbraw/zinc/12/22/24/309122224.db2.gz UFJGTCUAJAOJOQ-KGLIPLIRSA-N 2 0 330.394 3.452 20 0 EGADRP NC1(C[NH2+][C@@H]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126333 309122227 /nfs/dbraw/zinc/12/22/27/309122227.db2.gz GLKLTKBJZTVQLX-JOCHJYFZSA-N 2 0 349.522 3.127 20 0 EGADRP C[C@@H]1CCCC[C@H]1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415128080 309122406 /nfs/dbraw/zinc/12/24/06/309122406.db2.gz JMVNLEPHKAZXKJ-QUCCMNQESA-N 2 0 329.532 3.396 20 0 EGADRP [NH3+]C1(CNCc2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415133068 309122817 /nfs/dbraw/zinc/12/28/17/309122817.db2.gz MFHYMGJWHAEYGL-UHFFFAOYSA-N 2 0 345.437 3.048 20 0 EGADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415132782 309122849 /nfs/dbraw/zinc/12/28/49/309122849.db2.gz LZDOJMUGEGIRDD-PMACEKPBSA-N 2 0 329.532 3.394 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000415137190 309123215 /nfs/dbraw/zinc/12/32/15/309123215.db2.gz XXRLZBNVTXLUEG-SJORKVTESA-N 2 0 342.405 3.424 20 0 EGADRP CC[C@](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)(C(=O)OC)c1ccccc1 ZINC000415139677 309123368 /nfs/dbraw/zinc/12/33/68/309123368.db2.gz MBBCJHALJHOXJE-CTAFRAEOSA-N 2 0 344.499 3.018 20 0 EGADRP CCC[NH2+]CCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415385506 309132567 /nfs/dbraw/zinc/13/25/67/309132567.db2.gz FESPYCBTKOYIKE-UHFFFAOYSA-N 2 0 346.519 3.082 20 0 EGADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C[NH2+]C ZINC000415912963 309148032 /nfs/dbraw/zinc/14/80/32/309148032.db2.gz NVBDURUQYMCHHM-PKOBYXMFSA-N 2 0 346.519 3.428 20 0 EGADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000415934134 309149667 /nfs/dbraw/zinc/14/96/67/309149667.db2.gz RDUAVUKYWMSNJQ-MRXNPFEDSA-N 2 0 344.503 3.134 20 0 EGADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000415947304 309150794 /nfs/dbraw/zinc/15/07/94/309150794.db2.gz WMUSTGAHGVVFRM-UHFFFAOYSA-N 2 0 344.503 3.182 20 0 EGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982700 309152746 /nfs/dbraw/zinc/15/27/46/309152746.db2.gz XQXCROINRFFZBO-HNAYVOBHSA-N 2 0 338.455 3.102 20 0 EGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312469 309201223 /nfs/dbraw/zinc/20/12/23/309201223.db2.gz NVHVFKRPTJNZIB-MXSMSXNCSA-N 2 0 334.529 3.331 20 0 EGADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)n(C)n1 ZINC000417860990 309225629 /nfs/dbraw/zinc/22/56/29/309225629.db2.gz WSLUBFFPRQBULY-UHFFFAOYSA-N 2 0 326.488 3.250 20 0 EGADRP CCn1cncc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000417969250 309230065 /nfs/dbraw/zinc/23/00/65/309230065.db2.gz PESDDVHVSQODMS-UHFFFAOYSA-N 2 0 326.488 3.425 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000420283066 309279376 /nfs/dbraw/zinc/27/93/76/309279376.db2.gz BWHXOAXCQSPADG-UHFFFAOYSA-N 2 0 325.456 3.092 20 0 EGADRP COCC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420300373 309280297 /nfs/dbraw/zinc/28/02/97/309280297.db2.gz KEOLTDYGLLXBSD-CQSZACIVSA-N 2 0 328.859 3.317 20 0 EGADRP c1csc(C[N@@H+](CC[C@@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420303291 309280425 /nfs/dbraw/zinc/28/04/25/309280425.db2.gz CRBGSKMKLDAISR-HOTGVXAUSA-N 2 0 335.517 3.046 20 0 EGADRP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000420302259 309280461 /nfs/dbraw/zinc/28/04/61/309280461.db2.gz JJYLSOAABJYGSR-NDXORKPFSA-N 2 0 342.483 3.009 20 0 EGADRP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420306860 309280746 /nfs/dbraw/zinc/28/07/46/309280746.db2.gz BCRXQQLYXKUWRD-DYXWJJEUSA-N 2 0 329.532 3.361 20 0 EGADRP C[N@H+](CCOc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000420318408 309281703 /nfs/dbraw/zinc/28/17/03/309281703.db2.gz WBECURWUVKNTMI-AWEZNQCLSA-N 2 0 345.256 3.041 20 0 EGADRP CC[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420319953 309281739 /nfs/dbraw/zinc/28/17/39/309281739.db2.gz PRDAYCZEZBWWHO-OALUTQOASA-N 2 0 332.875 3.093 20 0 EGADRP Fc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420319400 309281759 /nfs/dbraw/zinc/28/17/59/309281759.db2.gz ABMOVTCTIXXPEY-CVEARBPZSA-N 2 0 329.419 3.302 20 0 EGADRP COc1ccccc1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000420320028 309281856 /nfs/dbraw/zinc/28/18/56/309281856.db2.gz QBSQDMCCGXQUSR-PKOBYXMFSA-N 2 0 332.488 3.066 20 0 EGADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000420319265 309281939 /nfs/dbraw/zinc/28/19/39/309281939.db2.gz OZMXCGOTNZXPQJ-ZIAGYGMSSA-N 2 0 330.863 3.275 20 0 EGADRP C[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420320471 309282063 /nfs/dbraw/zinc/28/20/63/309282063.db2.gz QGZQQSDQQHCEKX-VXKWHMMOSA-N 2 0 334.463 3.203 20 0 EGADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337094 309283057 /nfs/dbraw/zinc/28/30/57/309283057.db2.gz JKILTUQISVAEIO-DYVFJYSZSA-N 2 0 335.879 3.131 20 0 EGADRP Cc1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420338791 309283139 /nfs/dbraw/zinc/28/31/39/309283139.db2.gz XZVNZISFCKIFNG-CVEARBPZSA-N 2 0 344.434 3.006 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000420340243 309283225 /nfs/dbraw/zinc/28/32/25/309283225.db2.gz TXISHVHCKXKDCM-CTNGQTDRSA-N 2 0 340.467 3.047 20 0 EGADRP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)n2)cc1 ZINC000420367073 309284498 /nfs/dbraw/zinc/28/44/98/309284498.db2.gz GNNFXLHCEDDRAE-GOSISDBHSA-N 2 0 339.487 3.041 20 0 EGADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420373356 309284778 /nfs/dbraw/zinc/28/47/78/309284778.db2.gz GIVLVBRPSOUCKA-FUHWJXTLSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000420386538 309285833 /nfs/dbraw/zinc/28/58/33/309285833.db2.gz UYEOABQYGYKFFE-KSSFIOAISA-N 2 0 331.485 3.015 20 0 EGADRP Cc1ccc(C)c(OCCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420397966 309286299 /nfs/dbraw/zinc/28/62/99/309286299.db2.gz XYYUFEIAMHLREN-CTNGQTDRSA-N 2 0 346.515 3.291 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Cl ZINC000420411113 309286908 /nfs/dbraw/zinc/28/69/08/309286908.db2.gz YFPFLHINXMHTOF-YOEHRIQHSA-N 2 0 335.879 3.133 20 0 EGADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000420413100 309287218 /nfs/dbraw/zinc/28/72/18/309287218.db2.gz ZRAGIXFKUYRUTB-YOEHRIQHSA-N 2 0 335.879 3.133 20 0 EGADRP COC1([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000421025039 309308495 /nfs/dbraw/zinc/30/84/95/309308495.db2.gz CUYHLPFODVHCIA-GOSISDBHSA-N 2 0 346.515 3.346 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CCC([NH+](C)C)CC3)ccc21 ZINC000421165991 309315818 /nfs/dbraw/zinc/31/58/18/309315818.db2.gz YOTDYFGVITXTQK-GXOAENINSA-N 2 0 344.503 3.230 20 0 EGADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C)c(F)c3)CC2)CC1 ZINC000421370791 309321308 /nfs/dbraw/zinc/32/13/08/309321308.db2.gz IVWSUSYJRXKNNY-UHFFFAOYSA-N 2 0 333.495 3.126 20 0 EGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421823600 309341691 /nfs/dbraw/zinc/34/16/91/309341691.db2.gz ZYXMLSNSAREEBM-OAHLLOKOSA-N 2 0 341.902 3.027 20 0 EGADRP COC1([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000421830386 309342092 /nfs/dbraw/zinc/34/20/92/309342092.db2.gz BMIOYAPAHIWBEZ-FGTMMUONSA-N 2 0 326.525 3.203 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000421838805 309342713 /nfs/dbraw/zinc/34/27/13/309342713.db2.gz VQQDEKIVXGXNHM-PBHICJAKSA-N 2 0 342.886 3.237 20 0 EGADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000421854831 309343585 /nfs/dbraw/zinc/34/35/85/309343585.db2.gz MGKWVICPBXRBOQ-CQSZACIVSA-N 2 0 339.911 3.025 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(N2CCOCC2)c1 ZINC000421875456 309344608 /nfs/dbraw/zinc/34/46/08/309344608.db2.gz JWNHKBWWLGVBQE-IPJUCJBFSA-N 2 0 331.504 3.047 20 0 EGADRP [NH3+]CCOCC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000422640958 309363278 /nfs/dbraw/zinc/36/32/78/309363278.db2.gz WRBGWRDFYACGLL-UHFFFAOYSA-N 2 0 341.293 3.173 20 0 EGADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422687272 309363358 /nfs/dbraw/zinc/36/33/58/309363358.db2.gz BIBKYNSRTMEAKT-CRAIPNDOSA-N 2 0 327.428 3.100 20 0 EGADRP CC[NH+](CC)[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422699674 309363553 /nfs/dbraw/zinc/36/35/53/309363553.db2.gz AYAFLOKLORXEEK-SUMWQHHRSA-N 2 0 343.437 3.286 20 0 EGADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422713280 309364411 /nfs/dbraw/zinc/36/44/11/309364411.db2.gz PHHTWSRDVWGSHU-JKSUJKDBSA-N 2 0 325.456 3.463 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccccc2)C2CCC2)CC[NH2+]CC1 ZINC000422719350 309364762 /nfs/dbraw/zinc/36/47/62/309364762.db2.gz QVMOALCLLZAZEH-LPHOPBHVSA-N 2 0 344.499 3.439 20 0 EGADRP CN(C)c1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422722943 309365102 /nfs/dbraw/zinc/36/51/02/309365102.db2.gz ZDMGKIDKQGWGDS-TZIWHRDSSA-N 2 0 337.467 3.098 20 0 EGADRP CCc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000422727165 309365286 /nfs/dbraw/zinc/36/52/86/309365286.db2.gz BLGFXCOVVFQDQR-VFNWGFHPSA-N 2 0 340.515 3.365 20 0 EGADRP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]C1CCC([NH3+])CC1 ZINC000422727855 309365323 /nfs/dbraw/zinc/36/53/23/309365323.db2.gz IHSDMNUKHFXXOG-MHJFOBGBSA-N 2 0 329.532 3.319 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422734791 309365944 /nfs/dbraw/zinc/36/59/44/309365944.db2.gz CTQXHERYJJREQQ-VLCRHTCISA-N 2 0 337.511 3.199 20 0 EGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000422760647 309366907 /nfs/dbraw/zinc/36/69/07/309366907.db2.gz LBFQTLAUCMEIDE-MAUKXSAKSA-N 2 0 348.487 3.057 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422761023 309366911 /nfs/dbraw/zinc/36/69/11/309366911.db2.gz MMGUYWVOSRAGTJ-CWFSZBLJSA-N 2 0 345.918 3.491 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422784377 309368000 /nfs/dbraw/zinc/36/80/00/309368000.db2.gz PNZIHKRSIUMJHO-UTKZUKDTSA-N 3 0 345.531 3.027 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000422782622 309368164 /nfs/dbraw/zinc/36/81/64/309368164.db2.gz JWEBMVXILXYXOS-SJLPKXTDSA-N 2 0 332.488 3.295 20 0 EGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422788254 309368247 /nfs/dbraw/zinc/36/82/47/309368247.db2.gz QWDXJINGQZZVNW-HNAYVOBHSA-N 2 0 335.923 3.282 20 0 EGADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Oc1ccc(Br)cc1 ZINC000422796510 309368792 /nfs/dbraw/zinc/36/87/92/309368792.db2.gz JTPPJNHSLVTFHA-ZENOOKHLSA-N 2 0 341.293 3.194 20 0 EGADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccc(Br)cc1 ZINC000422797325 309368852 /nfs/dbraw/zinc/36/88/52/309368852.db2.gz MCTIQSSOHGTUTL-SQPSOYEMSA-N 2 0 339.277 3.089 20 0 EGADRP FC(F)(F)c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422809129 309369539 /nfs/dbraw/zinc/36/95/39/309369539.db2.gz PIPWOMDVUAEJQC-IJLUTSLNSA-N 2 0 333.423 3.215 20 0 EGADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422830412 309370782 /nfs/dbraw/zinc/37/07/82/309370782.db2.gz QZPMMBLVBBHIAH-VAMGGRTRSA-N 3 0 347.572 3.470 20 0 EGADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1)c1ccccc1 ZINC000422840972 309371239 /nfs/dbraw/zinc/37/12/39/309371239.db2.gz CLIKYWMMPSSHDJ-PXNSSMCTSA-N 2 0 345.531 3.278 20 0 EGADRP COc1ccccc1C1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422843618 309371726 /nfs/dbraw/zinc/37/17/26/309371726.db2.gz IYRRVHOJUUCHDZ-CQSZACIVSA-N 2 0 325.456 3.240 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422853625 309372106 /nfs/dbraw/zinc/37/21/06/309372106.db2.gz ZLAZQDPTHKAAKY-HSALFYBXSA-N 2 0 342.462 3.330 20 0 EGADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422853632 309372123 /nfs/dbraw/zinc/37/21/23/309372123.db2.gz ZLAZQDPTHKAAKY-XUVXKRRUSA-N 2 0 342.462 3.330 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2)n1 ZINC000422853487 309372151 /nfs/dbraw/zinc/37/21/51/309372151.db2.gz CBSJGMFGRHVFQR-AZUAARDMSA-N 2 0 326.488 3.139 20 0 EGADRP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422860820 309372418 /nfs/dbraw/zinc/37/24/18/309372418.db2.gz LWCNZMGAAPZEMK-SLFFLAALSA-N 2 0 341.499 3.214 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)c2ccccc2C)CC[NH2+]CC1 ZINC000422865523 309372677 /nfs/dbraw/zinc/37/26/77/309372677.db2.gz YIRRYMYZANQTGR-QGZVFWFLSA-N 2 0 346.515 3.184 20 0 EGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCSc3ccccc32)CC[NH2+]CC1 ZINC000422866440 309372760 /nfs/dbraw/zinc/37/27/60/309372760.db2.gz QFXKOITYWJRAJP-ZBFHGGJFSA-N 2 0 348.512 3.135 20 0 EGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422866715 309372794 /nfs/dbraw/zinc/37/27/94/309372794.db2.gz QVQDEGFMZSTUDM-XVSDAANHSA-N 3 0 327.516 3.291 20 0 EGADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2)n1 ZINC000422869310 309372823 /nfs/dbraw/zinc/37/28/23/309372823.db2.gz XHPKQWYPJKAIRQ-MGPUTAFESA-N 2 0 326.488 3.009 20 0 EGADRP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000422869171 309372829 /nfs/dbraw/zinc/37/28/29/309372829.db2.gz WULDAEFASHAJGB-SCRDCRAPSA-N 2 0 328.403 3.335 20 0 EGADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422868727 309372955 /nfs/dbraw/zinc/37/29/55/309372955.db2.gz VMDMHPVQEROFNU-VAMGGRTRSA-N 2 0 346.515 3.421 20 0 EGADRP CCOc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422876959 309373570 /nfs/dbraw/zinc/37/35/70/309373570.db2.gz GZJAVQUDORSAFO-CTNGQTDRSA-N 2 0 338.451 3.431 20 0 EGADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422892842 309374729 /nfs/dbraw/zinc/37/47/29/309374729.db2.gz NXUKYVRQWHCUPE-YGWPLHOASA-N 2 0 343.515 3.225 20 0 EGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c2ccccc21 ZINC000422895743 309374867 /nfs/dbraw/zinc/37/48/67/309374867.db2.gz GMHUAKPHYQQJGA-VHKYSDTDSA-N 2 0 325.431 3.386 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422900664 309375087 /nfs/dbraw/zinc/37/50/87/309375087.db2.gz QVINUHKBBMZCDX-PWRODBHTSA-N 3 0 345.531 3.027 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422901286 309375140 /nfs/dbraw/zinc/37/51/40/309375140.db2.gz RVKFRTFAYYBNPY-HOCLYGCPSA-N 2 0 342.462 3.165 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000422903209 309375430 /nfs/dbraw/zinc/37/54/30/309375430.db2.gz FFGLUSXTGWEZJT-FXAWDEMLSA-N 2 0 339.483 3.344 20 0 EGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422925938 309376455 /nfs/dbraw/zinc/37/64/55/309376455.db2.gz BYJVFDMAZCVAPZ-BKQLOGFTSA-N 2 0 341.268 3.392 20 0 EGADRP C[NH+](C)C1(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CCCCC1 ZINC000422931336 309376789 /nfs/dbraw/zinc/37/67/89/309376789.db2.gz XGTWNOQDSVTXHP-QGZVFWFLSA-N 2 0 331.504 3.093 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422956766 309378136 /nfs/dbraw/zinc/37/81/36/309378136.db2.gz LXBUCIZVVSGZRN-MJGOQNOKSA-N 2 0 343.515 3.256 20 0 EGADRP COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422957140 309378140 /nfs/dbraw/zinc/37/81/40/309378140.db2.gz MRXWCMDXCKDJEW-HNAYVOBHSA-N 2 0 341.455 3.194 20 0 EGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422969362 309378986 /nfs/dbraw/zinc/37/89/86/309378986.db2.gz UEHIHHGJEBXUPF-WIYYLYMNSA-N 3 0 329.532 3.396 20 0 EGADRP COCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422969614 309379011 /nfs/dbraw/zinc/37/90/11/309379011.db2.gz UWFSPSRGOQMDJB-SLFFLAALSA-N 2 0 331.504 3.145 20 0 EGADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000422987466 309379697 /nfs/dbraw/zinc/37/96/97/309379697.db2.gz IOZUAGPRFLDJBY-BEKAIBRUSA-N 2 0 330.472 3.036 20 0 EGADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423003004 309380277 /nfs/dbraw/zinc/38/02/77/309380277.db2.gz KNKORODQQWWIMV-FMWKFLBASA-N 2 0 329.532 3.407 20 0 EGADRP CCOCCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423006276 309380506 /nfs/dbraw/zinc/38/05/06/309380506.db2.gz UVSOQAUHMCLGOY-XLIONFOSSA-N 2 0 330.472 3.039 20 0 EGADRP C[C@H]1C[C@H](CC[NH2+]C2CCC(C[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000423007840 309380540 /nfs/dbraw/zinc/38/05/40/309380540.db2.gz YQJJFMMATBMVGG-YLJXDBKYSA-N 3 0 329.532 3.394 20 0 EGADRP Clc1ccc(COCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000423021092 309381389 /nfs/dbraw/zinc/38/13/89/309381389.db2.gz BGWGUUDLXKNRDT-YIONKMFJSA-N 2 0 329.271 3.383 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423029042 309381761 /nfs/dbraw/zinc/38/17/61/309381761.db2.gz HMHLZEBGGVGIEY-BVOGOJNSSA-N 3 0 329.532 3.394 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[NH2+]CC[C@H]3C)c2)CC1 ZINC000423036155 309382175 /nfs/dbraw/zinc/38/21/75/309382175.db2.gz ZZZXNEOFASTIPT-YLJYHZDGSA-N 2 0 330.520 3.017 20 0 EGADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423033918 309382180 /nfs/dbraw/zinc/38/21/80/309382180.db2.gz ZXXWZCCTVSGHJA-CABCVRRESA-N 2 0 343.471 3.223 20 0 EGADRP Cc1csc([C@H](C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423041687 309382514 /nfs/dbraw/zinc/38/25/14/309382514.db2.gz XRRIBKKQMDUOKK-VVFCZOMOSA-N 2 0 343.496 3.401 20 0 EGADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccc(F)cc21 ZINC000423044355 309382525 /nfs/dbraw/zinc/38/25/25/309382525.db2.gz AHZQPRZVNSRPMX-GUDVDZBRSA-N 2 0 329.463 3.370 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)[C@H]1CC[NH2+]C1 ZINC000423050053 309383068 /nfs/dbraw/zinc/38/30/68/309383068.db2.gz LDWQJZNSYFHRQH-RDJZCZTQSA-N 2 0 328.431 3.492 20 0 EGADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000423051082 309383279 /nfs/dbraw/zinc/38/32/79/309383279.db2.gz ZVCIKOIMEABYIG-JXQTWKCFSA-N 2 0 325.859 3.165 20 0 EGADRP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065469 309384155 /nfs/dbraw/zinc/38/41/55/309384155.db2.gz UMYHPLUMRLUANL-GXRSIYKFSA-N 2 0 341.543 3.407 20 0 EGADRP CCOC1CC(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423073748 309384562 /nfs/dbraw/zinc/38/45/62/309384562.db2.gz SEYUFVIHJKRHPI-BPCFOJMASA-N 2 0 330.472 3.037 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423081099 309384958 /nfs/dbraw/zinc/38/49/58/309384958.db2.gz BDNGDQGTUXTGDC-VCOUNFBDSA-N 2 0 337.511 3.451 20 0 EGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423083392 309384965 /nfs/dbraw/zinc/38/49/65/309384965.db2.gz FZCVSNZKWLUROY-YUXAGFNASA-N 2 0 337.511 3.057 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423095089 309385681 /nfs/dbraw/zinc/38/56/81/309385681.db2.gz LJFVPODYEGTJCK-LKPRIIMKSA-N 2 0 342.405 3.293 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000423097901 309385965 /nfs/dbraw/zinc/38/59/65/309385965.db2.gz BQZANNOHJLLAOK-NHYWBVRUSA-N 2 0 326.282 3.402 20 0 EGADRP COCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423107992 309386271 /nfs/dbraw/zinc/38/62/71/309386271.db2.gz QJNCGQPEEHCAMA-VAMGGRTRSA-N 2 0 332.488 3.112 20 0 EGADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CCCC12CCOCC2 ZINC000423116541 309386772 /nfs/dbraw/zinc/38/67/72/309386772.db2.gz QHGJZDFSWFMPMD-SLYNCCJLSA-N 2 0 342.483 3.181 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000423130849 309387363 /nfs/dbraw/zinc/38/73/63/309387363.db2.gz SGRKUPYGDYWGQQ-FVJLSDCUSA-N 2 0 338.499 3.162 20 0 EGADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccn1 ZINC000423148559 309388287 /nfs/dbraw/zinc/38/82/87/309388287.db2.gz VYFNRJALAOPNIJ-UWJYYQICSA-N 2 0 337.467 3.205 20 0 EGADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423162910 309388916 /nfs/dbraw/zinc/38/89/16/309388916.db2.gz UUNJVQMQHRCZTN-XYPHTWIQSA-N 2 0 326.843 3.368 20 0 EGADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CCO2)nc1 ZINC000423161381 309388922 /nfs/dbraw/zinc/38/89/22/309388922.db2.gz NQGJKRKRCIKIJZ-ZMIKWESLSA-N 2 0 329.488 3.202 20 0 EGADRP Clc1cccc(CC2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000423172230 309389185 /nfs/dbraw/zinc/38/91/85/309389185.db2.gz RVTGYUUORBGTFO-IPMKNSEASA-N 2 0 348.918 3.409 20 0 EGADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179505 309389276 /nfs/dbraw/zinc/38/92/76/309389276.db2.gz MIEBYRWKHYCAQC-IBGZPJMESA-N 2 0 343.540 3.225 20 0 EGADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1Cl ZINC000423181858 309389311 /nfs/dbraw/zinc/38/93/11/309389311.db2.gz JSVKQDHLGHYCJC-OAHLLOKOSA-N 2 0 339.911 3.073 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250013 309392331 /nfs/dbraw/zinc/39/23/31/309392331.db2.gz PURWBAHXHKYRSO-BMIGLBTASA-N 2 0 327.241 3.165 20 0 EGADRP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cccnc2)c(F)c1 ZINC000423263389 309392999 /nfs/dbraw/zinc/39/29/99/309392999.db2.gz XBQYVAOCGBYLQQ-LIRRHRJNSA-N 2 0 331.410 3.429 20 0 EGADRP C[C@H](N[C@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423268549 309393216 /nfs/dbraw/zinc/39/32/16/309393216.db2.gz UUBIGEZXTBPFDF-IOMROCGXSA-N 2 0 329.532 3.394 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423269347 309393442 /nfs/dbraw/zinc/39/34/42/309393442.db2.gz FNCOTJAGROITTF-DHSIGJKJSA-N 2 0 330.476 3.139 20 0 EGADRP C[C@H](C[NH3+])C[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423307077 309394578 /nfs/dbraw/zinc/39/45/78/309394578.db2.gz MJFAQFZTXZIJHT-GPCCPHFNSA-N 2 0 329.307 3.416 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)cc2)CC1 ZINC000423327306 309395283 /nfs/dbraw/zinc/39/52/83/309395283.db2.gz KCVGXGHVUQXFJH-QFBILLFUSA-N 2 0 329.488 3.245 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000423337840 309395964 /nfs/dbraw/zinc/39/59/64/309395964.db2.gz UFHCMAMTTCPNQH-SOLBZPMBSA-N 2 0 331.504 3.092 20 0 EGADRP CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000423345147 309396365 /nfs/dbraw/zinc/39/63/65/309396365.db2.gz XMMKHMOBGAMRJW-GJYPPUQNSA-N 2 0 331.504 3.476 20 0 EGADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423375944 309397754 /nfs/dbraw/zinc/39/77/54/309397754.db2.gz YDAJJRTXAZRCGV-IAQYHMDHSA-N 2 0 327.241 3.307 20 0 EGADRP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)[NH+]2CCCC2)o1 ZINC000423389355 309398076 /nfs/dbraw/zinc/39/80/76/309398076.db2.gz JJPMUYJKXOSOOK-ZWKOTPCHSA-N 2 0 347.503 3.139 20 0 EGADRP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)[NH+]2CCCC2)o1 ZINC000423389352 309398145 /nfs/dbraw/zinc/39/81/45/309398145.db2.gz JJPMUYJKXOSOOK-MSOLQXFVSA-N 2 0 347.503 3.139 20 0 EGADRP COCC1(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC[NH2+]CC1 ZINC000423410465 309399045 /nfs/dbraw/zinc/39/90/45/309399045.db2.gz RSJPOVZPTNTTJK-QGZVFWFLSA-N 2 0 339.483 3.415 20 0 EGADRP Cc1cc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000423419927 309399651 /nfs/dbraw/zinc/39/96/51/309399651.db2.gz WPDITDSARFYVGA-VQIMIIECSA-N 2 0 347.503 3.028 20 0 EGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@@H]1c1cccs1 ZINC000423426510 309399827 /nfs/dbraw/zinc/39/98/27/309399827.db2.gz PMAAFPBEDJPDKZ-DJIMGWMZSA-N 2 0 349.544 3.025 20 0 EGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423474348 309401556 /nfs/dbraw/zinc/40/15/56/309401556.db2.gz HFARCNJHCCOHHE-HUUCEWRRSA-N 2 0 334.460 3.264 20 0 EGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423491794 309402880 /nfs/dbraw/zinc/40/28/80/309402880.db2.gz KHGUVOAVBXUWTC-CORIIIEPSA-N 2 0 333.867 3.007 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423518457 309404339 /nfs/dbraw/zinc/40/43/39/309404339.db2.gz UXIZLGUWOCMXGG-UHIISALHSA-N 2 0 329.257 3.236 20 0 EGADRP Cc1nc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000423520640 309404582 /nfs/dbraw/zinc/40/45/82/309404582.db2.gz FJOZQLUSTOTTCC-OAHLLOKOSA-N 2 0 344.528 3.096 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423537629 309405648 /nfs/dbraw/zinc/40/56/48/309405648.db2.gz DJYTVMPTEYGTCL-KNIMUDFMSA-N 2 0 344.503 3.255 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(Cl)c1 ZINC000423563994 309406431 /nfs/dbraw/zinc/40/64/31/309406431.db2.gz RYVMPGTXKYBPNQ-AWEZNQCLSA-N 2 0 335.879 3.265 20 0 EGADRP CCc1ccc([C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C(C)C)cc1 ZINC000433146708 309679910 /nfs/dbraw/zinc/67/99/10/309679910.db2.gz WHGQJFCTCKYNHL-OAQYLSRUSA-N 2 0 345.531 3.266 20 0 EGADRP CC(C)(C)Oc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433142938 309679962 /nfs/dbraw/zinc/67/99/62/309679962.db2.gz WLWTYPMKCZVESE-UHFFFAOYSA-N 2 0 333.476 3.006 20 0 EGADRP Cc1c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cccc1C(F)(F)F ZINC000433167738 309680637 /nfs/dbraw/zinc/68/06/37/309680637.db2.gz JQWVLSMHEYZVPN-UHFFFAOYSA-N 2 0 343.393 3.156 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000435373148 309729994 /nfs/dbraw/zinc/72/99/94/309729994.db2.gz MFYYBXSUQGVROJ-UHFFFAOYSA-N 2 0 338.377 3.062 20 0 EGADRP CCC(CC)(CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[NH2+][C@@H](C)c1ccccc1 ZINC000444166827 309915209 /nfs/dbraw/zinc/91/52/09/309915209.db2.gz LGMBQADKAOYLEE-QRFRQXIXSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000449011180 310028761 /nfs/dbraw/zinc/02/87/61/310028761.db2.gz OWQWUWZCJGNFIW-HNNXBMFYSA-N 2 0 338.442 3.113 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449022997 310030094 /nfs/dbraw/zinc/03/00/94/310030094.db2.gz MJSDDULLJYNILU-LJQANCHMSA-N 2 0 327.472 3.035 20 0 EGADRP COc1cccc2c(C[NH+]3CCC(OCC[NH+](C)C)CC3)cccc12 ZINC000449026323 310030284 /nfs/dbraw/zinc/03/02/84/310030284.db2.gz JAJBSKYAMFIEIH-UHFFFAOYSA-N 2 0 342.483 3.391 20 0 EGADRP CCC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000449107297 310037481 /nfs/dbraw/zinc/03/74/81/310037481.db2.gz PAAJOHPQDUICQV-LJQANCHMSA-N 2 0 330.520 3.282 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000449137359 310039504 /nfs/dbraw/zinc/03/95/04/310039504.db2.gz XTXYIODVEDNXED-IMFGXOCKSA-N 2 0 349.950 3.277 20 0 EGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449224271 310045863 /nfs/dbraw/zinc/04/58/63/310045863.db2.gz QGJMCMAZVDUPME-KRWDZBQOSA-N 2 0 330.472 3.295 20 0 EGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000449226027 310046022 /nfs/dbraw/zinc/04/60/22/310046022.db2.gz QABFQSIWXGPUTD-FQEVSTJZSA-N 2 0 343.515 3.181 20 0 EGADRP CC1=CC[N@H+](CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449241284 310047142 /nfs/dbraw/zinc/04/71/42/310047142.db2.gz AIGDYAYVGIENCP-HXUWFJFHSA-N 2 0 341.543 3.324 20 0 EGADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCC(C)(F)F)CC1 ZINC000449350672 310056017 /nfs/dbraw/zinc/05/60/17/310056017.db2.gz LCAJSNMGLGUTNV-UHFFFAOYSA-N 2 0 325.447 3.354 20 0 EGADRP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449409462 310059496 /nfs/dbraw/zinc/05/94/96/310059496.db2.gz UASMZDJDADBOCU-VAMGGRTRSA-N 2 0 330.516 3.285 20 0 EGADRP CCO[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C[C@@H]1C ZINC000449501812 310067299 /nfs/dbraw/zinc/06/72/99/310067299.db2.gz WEQLXXQQLZXHSU-GHTZIAJQSA-N 2 0 345.531 3.075 20 0 EGADRP Cc1nc(COc2ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc2)no1 ZINC000449527786 310069246 /nfs/dbraw/zinc/06/92/46/310069246.db2.gz KYRBJDIODPSMGJ-UHFFFAOYSA-N 2 0 346.475 3.167 20 0 EGADRP Cc1ncc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)n1-c1ccccc1 ZINC000449555477 310071528 /nfs/dbraw/zinc/07/15/28/310071528.db2.gz QJZMLKYAUHKXNU-FUHIMQAGSA-N 2 0 325.456 3.164 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000449738991 310083389 /nfs/dbraw/zinc/08/33/89/310083389.db2.gz HRRPJBISWQDTDP-XRXFAXGQSA-N 2 0 328.500 3.038 20 0 EGADRP CC1(C)CCC[N@@H+]1CCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449783255 310087045 /nfs/dbraw/zinc/08/70/45/310087045.db2.gz NRLZRDRUTGKZPG-UHFFFAOYSA-N 2 0 347.522 3.297 20 0 EGADRP CC[NH+](CC)CCOC1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450449516 310123295 /nfs/dbraw/zinc/12/32/95/310123295.db2.gz FFJOWRASGGSOMJ-IBGZPJMESA-N 2 0 339.568 3.072 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000450549519 310129597 /nfs/dbraw/zinc/12/95/97/310129597.db2.gz BWHKFQDNJXRETG-SVFBPWRDSA-N 2 0 329.532 3.456 20 0 EGADRP c1cn(CCc2ccccc2)nc1CN1CCC(c2c[nH]cn2)CC1 ZINC000450579377 310131090 /nfs/dbraw/zinc/13/10/90/310131090.db2.gz JZAYPHUJSWOUGU-UHFFFAOYSA-N 2 0 335.455 3.229 20 0 EGADRP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450723340 310139349 /nfs/dbraw/zinc/13/93/49/310139349.db2.gz COIQIJSFHXZVCD-AZUAARDMSA-N 2 0 329.532 3.361 20 0 EGADRP CC(C)N1CCCC[C@H]1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833631 310144871 /nfs/dbraw/zinc/14/48/71/310144871.db2.gz KLZSVKBCBYHYLQ-SFTDATJTSA-N 2 0 330.516 3.319 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000450940654 310151015 /nfs/dbraw/zinc/15/10/15/310151015.db2.gz MCCBGNCWXTUJSM-LEWJYISDSA-N 2 0 329.532 3.108 20 0 EGADRP CO[C@H]1CC[NH+](CC(C)C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451568538 310187021 /nfs/dbraw/zinc/18/70/21/310187021.db2.gz RULGBCUDBHJUTK-ROUUACIJSA-N 2 0 340.552 3.116 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](NCC[NH+]3CCCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453074407 310256249 /nfs/dbraw/zinc/25/62/49/310256249.db2.gz GHJMKKPMCFWYSI-QHAWAJNXSA-N 2 0 327.516 3.115 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453077668 310256465 /nfs/dbraw/zinc/25/64/65/310256465.db2.gz BIFZDPFRMNYKAA-HKBOAZHASA-N 2 0 328.500 3.446 20 0 EGADRP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453187806 310263116 /nfs/dbraw/zinc/26/31/16/310263116.db2.gz AOBFWUQSWQICDC-VAMGGRTRSA-N 2 0 328.500 3.182 20 0 EGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453200043 310263723 /nfs/dbraw/zinc/26/37/23/310263723.db2.gz UMLVSXFXZHISQE-LEWJYISDSA-N 2 0 328.500 3.312 20 0 EGADRP C[C@@H]([NH2+]CCN1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453396881 310274870 /nfs/dbraw/zinc/27/48/70/310274870.db2.gz KZAPGJPCPNAERX-QGZVFWFLSA-N 2 0 333.520 3.152 20 0 EGADRP COc1ccc(Br)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453595127 310283545 /nfs/dbraw/zinc/28/35/45/310283545.db2.gz DMYGMWSEIQYBHW-UHFFFAOYSA-N 2 0 341.293 3.422 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000454308786 310302640 /nfs/dbraw/zinc/30/26/40/310302640.db2.gz BPEDNDHEKXKIEE-KXBFYZLASA-N 2 0 344.503 3.231 20 0 EGADRP CCn1ccnc1[C@@H](C)NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000455476229 310362579 /nfs/dbraw/zinc/36/25/79/310362579.db2.gz SPRNBMQUHABUEN-MRXNPFEDSA-N 2 0 349.523 3.021 20 0 EGADRP CCN1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000455637342 310370752 /nfs/dbraw/zinc/37/07/52/310370752.db2.gz JFWUMIBIGOGQIF-MSOLQXFVSA-N 2 0 339.886 3.204 20 0 EGADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455843962 310379191 /nfs/dbraw/zinc/37/91/91/310379191.db2.gz GUVFTHYDCNJTMI-HKUYNNGSSA-N 2 0 344.503 3.184 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455872779 310380545 /nfs/dbraw/zinc/38/05/45/310380545.db2.gz ZDLYBKMQGUOOKU-KBXCAEBGSA-N 2 0 332.492 3.086 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC(C)(C)C[NH+]3CCCC3)ccc21 ZINC000455873374 310380553 /nfs/dbraw/zinc/38/05/53/310380553.db2.gz ZNQPDKHCIPVTJG-GOSISDBHSA-N 2 0 344.503 3.231 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCC[NH+]3CCCCC3)ccc21 ZINC000455880809 310380836 /nfs/dbraw/zinc/38/08/36/310380836.db2.gz SFHFEXGLWAUWNA-LJQANCHMSA-N 2 0 344.503 3.233 20 0 EGADRP C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000456173686 310391961 /nfs/dbraw/zinc/39/19/61/310391961.db2.gz RERARDAQIVZHHG-UHFFFAOYSA-N 2 0 340.471 3.097 20 0 EGADRP CC[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000456176553 310392092 /nfs/dbraw/zinc/39/20/92/310392092.db2.gz WMIOXYKSYVBLEB-GOSISDBHSA-N 2 0 333.520 3.134 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OC ZINC000459661131 310567058 /nfs/dbraw/zinc/56/70/58/310567058.db2.gz QFTWPHOPMRRZRX-HNNXBMFYSA-N 2 0 339.439 3.381 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479367657 310873508 /nfs/dbraw/zinc/87/35/08/310873508.db2.gz XFWDAXKHRYCWBE-HNAYVOBHSA-N 2 0 339.474 3.278 20 0 EGADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000482885899 310938572 /nfs/dbraw/zinc/93/85/72/310938572.db2.gz MTQOOQNKZANXQY-NHCUHLMSSA-N 2 0 332.532 3.326 20 0 EGADRP COC1(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCCCC1 ZINC000483300753 310947236 /nfs/dbraw/zinc/94/72/36/310947236.db2.gz ZCHUOZWUOHBOHP-QZTJIDSGSA-N 2 0 338.536 3.157 20 0 EGADRP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487013218 311006895 /nfs/dbraw/zinc/00/68/95/311006895.db2.gz CFVWZIZGTKQCDL-DLBZAZTESA-N 2 0 343.515 3.131 20 0 EGADRP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000488399411 311063496 /nfs/dbraw/zinc/06/34/96/311063496.db2.gz QMLMBTRWEUKORN-KRWDZBQOSA-N 2 0 328.500 3.281 20 0 EGADRP CC[NH+]1CCC([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000492151434 311221609 /nfs/dbraw/zinc/22/16/09/311221609.db2.gz VSQPEYCFJSKQOC-UHFFFAOYSA-N 2 0 337.508 3.018 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492213505 311227040 /nfs/dbraw/zinc/22/70/40/311227040.db2.gz BMPWYXPTJSXTEO-BBWFWOEESA-N 2 0 339.524 3.096 20 0 EGADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000492694867 311281189 /nfs/dbraw/zinc/28/11/89/311281189.db2.gz FLIAXOJTDDWLNM-IXDOHACOSA-N 2 0 339.524 3.144 20 0 EGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000495687280 311596344 /nfs/dbraw/zinc/59/63/44/311596344.db2.gz JXFLHIPUOAOERF-ODIFPOPNSA-N 2 0 331.460 3.167 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496882065 311779198 /nfs/dbraw/zinc/77/91/98/311779198.db2.gz JBMJYECHXKPROS-LADRWXRNSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000497155973 311827295 /nfs/dbraw/zinc/82/72/95/311827295.db2.gz UFVZYTFXRZVVAG-RDJZCZTQSA-N 2 0 331.460 3.044 20 0 EGADRP COc1cc(C)c(C[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC000502287045 311962517 /nfs/dbraw/zinc/96/25/17/311962517.db2.gz RLCVIHMPPGDULE-INIZCTEOSA-N 2 0 346.515 3.407 20 0 EGADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000507954629 312085651 /nfs/dbraw/zinc/08/56/51/312085651.db2.gz WWUXRYSRIUSYBO-HZEGPAAWSA-N 2 0 330.516 3.285 20 0 EGADRP C[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508191087 312090302 /nfs/dbraw/zinc/09/03/02/312090302.db2.gz ARNLJVHZEXINND-QRVBRYPASA-N 2 0 349.563 3.362 20 0 EGADRP CC[N@@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695111 312099616 /nfs/dbraw/zinc/09/96/16/312099616.db2.gz HMICMVCXSYWGNC-TYPHKJRUSA-N 2 0 329.532 3.219 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000508878915 312104638 /nfs/dbraw/zinc/10/46/38/312104638.db2.gz OCONVWUASJRTJA-XMSQKQJNSA-N 2 0 341.543 3.412 20 0 EGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510705822 312146591 /nfs/dbraw/zinc/14/65/91/312146591.db2.gz SJWNCRHAAQRCQU-HNNXBMFYSA-N 2 0 340.458 3.376 20 0 EGADRP CCCOc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000512395716 312184290 /nfs/dbraw/zinc/18/42/90/312184290.db2.gz ZNDYYXXGRUJZQM-UHFFFAOYSA-N 2 0 346.515 3.410 20 0 EGADRP c1ccc([C@@H]2C[C@@H]2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000512470494 312186704 /nfs/dbraw/zinc/18/67/04/312186704.db2.gz YTHXTARQJYKHIW-RTWAWAEBSA-N 2 0 328.500 3.224 20 0 EGADRP c1ccc([C@H]2C[C@@H]2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000512470493 312186801 /nfs/dbraw/zinc/18/68/01/312186801.db2.gz YTHXTARQJYKHIW-NHCUHLMSSA-N 2 0 328.500 3.224 20 0 EGADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648720 312190977 /nfs/dbraw/zinc/19/09/77/312190977.db2.gz OTPMQOVUVNERCF-MYGLTJDJSA-N 2 0 341.543 3.361 20 0 EGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000514862841 312250553 /nfs/dbraw/zinc/25/05/53/312250553.db2.gz KVUWERXFMALFBL-WBVHZDCISA-N 2 0 344.503 3.039 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000515385750 312280274 /nfs/dbraw/zinc/28/02/74/312280274.db2.gz ALVFIODBOZCESO-MISYRCLQSA-N 2 0 349.563 3.397 20 0 EGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000515832091 312299703 /nfs/dbraw/zinc/29/97/03/312299703.db2.gz JCESGGZYIAPMAV-MRXNPFEDSA-N 2 0 335.467 3.256 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000516650551 312335434 /nfs/dbraw/zinc/33/54/34/312335434.db2.gz AKMRXHJELRBYNZ-HOCLYGCPSA-N 2 0 349.906 3.297 20 0 EGADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000517024026 312358831 /nfs/dbraw/zinc/35/88/31/312358831.db2.gz QEHATCKYWKTCDM-OAHLLOKOSA-N 2 0 339.277 3.252 20 0 EGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000517358490 312375914 /nfs/dbraw/zinc/37/59/14/312375914.db2.gz FKXATWAFDKDOLV-OAQYLSRUSA-N 2 0 326.484 3.222 20 0 EGADRP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000527676678 312908459 /nfs/dbraw/zinc/90/84/59/312908459.db2.gz UHEHFTNATFFNMS-JKSUJKDBSA-N 2 0 332.479 3.415 20 0 EGADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241041 313504312 /nfs/dbraw/zinc/50/43/12/313504312.db2.gz HBAXRTDLDSOTHM-IBGZPJMESA-N 2 0 331.504 3.104 20 0 EGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2Cl)N1CC[NH+](C)CC1 ZINC000531691236 313701684 /nfs/dbraw/zinc/70/16/84/313701684.db2.gz NKFYQCIUBNFITF-OALUTQOASA-N 2 0 335.923 3.189 20 0 EGADRP C[NH+](C)CCCC1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000535043756 314018673 /nfs/dbraw/zinc/01/86/73/314018673.db2.gz OSTQQVKAOVHZHY-UHFFFAOYSA-N 2 0 344.503 3.186 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CCN1CCN(c2nc3ccccc3s2)CC1 ZINC000535405883 314044614 /nfs/dbraw/zinc/04/46/14/314044614.db2.gz PEYZVRWJZOHHIY-INIZCTEOSA-N 2 0 344.528 3.293 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000536709112 314140802 /nfs/dbraw/zinc/14/08/02/314140802.db2.gz HQUDJYDDFVGGJI-UHFFFAOYSA-N 2 0 337.533 3.343 20 0 EGADRP CC(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000536708015 314141143 /nfs/dbraw/zinc/14/11/43/314141143.db2.gz XIXVANDJVCVSSI-OAQYLSRUSA-N 2 0 329.532 3.410 20 0 EGADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992133 314222505 /nfs/dbraw/zinc/22/25/05/314222505.db2.gz YESFPQDGYHHCIZ-FZMZJTMJSA-N 2 0 329.271 3.445 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000539646389 314326531 /nfs/dbraw/zinc/32/65/31/314326531.db2.gz OBMKZBWJIQAGCM-MJGOQNOKSA-N 2 0 330.520 3.112 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000541741230 314484360 /nfs/dbraw/zinc/48/43/60/314484360.db2.gz KSCMAHGUEXBPIT-OXJNMPFZSA-N 2 0 333.520 3.292 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)Cc3ccsc3)CC2)CC1 ZINC000543079244 314602472 /nfs/dbraw/zinc/60/24/72/314602472.db2.gz IPAFGCIQUCCNJP-KRWDZBQOSA-N 2 0 335.561 3.170 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccccc1 ZINC000544371031 314690672 /nfs/dbraw/zinc/69/06/72/314690672.db2.gz HUEYIRVLAKQDRE-WMZOPIPTSA-N 2 0 333.520 3.352 20 0 EGADRP C(C1CC1)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](CC4CC4)C3)COC2)C1 ZINC000550048558 315114334 /nfs/dbraw/zinc/11/43/34/315114334.db2.gz GFZNWIMJPQYKHS-PMACEKPBSA-N 2 0 332.532 3.247 20 0 EGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000551430923 315154338 /nfs/dbraw/zinc/15/43/38/315154338.db2.gz MFZUTMCXHGMWNX-UHFFFAOYSA-N 2 0 334.504 3.456 20 0 EGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555231334 315374546 /nfs/dbraw/zinc/37/45/46/315374546.db2.gz YTZWQFVIBYVCNN-XJKSGUPXSA-N 2 0 339.911 3.226 20 0 EGADRP CC[N@H+](CCC1CC[NH+](CCCc2cncn2C)CC1)CC(C)C ZINC000563358408 316005829 /nfs/dbraw/zinc/00/58/29/316005829.db2.gz ZVCJHOXLDPQCTP-UHFFFAOYSA-N 2 0 334.552 3.433 20 0 EGADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000563806142 316071807 /nfs/dbraw/zinc/07/18/07/316071807.db2.gz OMSCQQXCMWSXPQ-WIYYLYMNSA-N 2 0 348.531 3.184 20 0 EGADRP COc1sc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000564319819 316135196 /nfs/dbraw/zinc/13/51/96/316135196.db2.gz NRENLJIGVLGFKR-NSHDSACASA-N 2 0 347.322 3.339 20 0 EGADRP CC(C)[NH2+]C1(CO)CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000564734666 316196949 /nfs/dbraw/zinc/19/69/49/316196949.db2.gz GJTIRRHQLDETLB-UHFFFAOYSA-N 2 0 336.442 3.180 20 0 EGADRP Cc1c[nH+]ccc1N1CCC(c2nc(C3([NH3+])CCCCC3)no2)CC1 ZINC000564833758 316214988 /nfs/dbraw/zinc/21/49/88/316214988.db2.gz QZYYRVQUVMAYTC-UHFFFAOYSA-N 2 0 341.459 3.275 20 0 EGADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000564970007 316239362 /nfs/dbraw/zinc/23/93/62/316239362.db2.gz HIDLXWMOQYSDTC-WOSRLPQWSA-N 2 0 326.868 3.113 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000565762895 316366875 /nfs/dbraw/zinc/36/68/75/316366875.db2.gz WTCWKFNQSKNDGH-BDQJQXKSSA-N 2 0 330.863 3.131 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc(C[NH3+])cc3)ccc21 ZINC000567502107 316627792 /nfs/dbraw/zinc/62/77/92/316627792.db2.gz XHKBWEKMEDICAJ-LJQANCHMSA-N 2 0 338.455 3.016 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000570161343 317016045 /nfs/dbraw/zinc/01/60/45/317016045.db2.gz JIXYAVWMBLHESZ-LJQANCHMSA-N 2 0 337.552 3.125 20 0 EGADRP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CCC2 ZINC000570450642 317057103 /nfs/dbraw/zinc/05/71/03/317057103.db2.gz NUIGZKRXIBAVQS-JXFKEZNVSA-N 2 0 347.572 3.402 20 0 EGADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570632931 317084166 /nfs/dbraw/zinc/08/41/66/317084166.db2.gz LNVFRWGWCYRHIM-FUHWJXTLSA-N 2 0 343.515 3.459 20 0 EGADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000570642517 317086186 /nfs/dbraw/zinc/08/61/86/317086186.db2.gz VMLMYQFQSDTQBG-FRFSOERESA-N 2 0 344.421 3.244 20 0 EGADRP COCC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000571325841 317183353 /nfs/dbraw/zinc/18/33/53/317183353.db2.gz VCPNMMQMIHTJEY-VAMGGRTRSA-N 2 0 328.500 3.303 20 0 EGADRP C[NH+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000571790515 317248770 /nfs/dbraw/zinc/24/87/70/317248770.db2.gz SBUIQTAKPFYVRH-UHFFFAOYSA-N 2 0 347.409 3.145 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000572733293 317384318 /nfs/dbraw/zinc/38/43/18/317384318.db2.gz OOHOBUVNYKCPAB-MJGOQNOKSA-N 2 0 332.419 3.290 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000177211454 323337610 /nfs/dbraw/zinc/33/76/10/323337610.db2.gz ZCEVFQUKIALOCQ-CYBMUJFWSA-N 2 0 329.282 3.068 20 0 EGADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379676222 324241408 /nfs/dbraw/zinc/24/14/08/324241408.db2.gz YWEYUNKLCLJVGH-YTQUADARSA-N 2 0 345.531 3.180 20 0 EGADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000382082033 324248963 /nfs/dbraw/zinc/24/89/63/324248963.db2.gz WGJHLDCDUVBJHC-OAHLLOKOSA-N 2 0 327.513 3.001 20 0 EGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000382455346 324250896 /nfs/dbraw/zinc/25/08/96/324250896.db2.gz QGIAWAGXAYOXCJ-NVXWUHKLSA-N 2 0 339.524 3.142 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385881894 324264631 /nfs/dbraw/zinc/26/46/31/324264631.db2.gz BVKLWVLHIHPCLA-BHIFYINESA-N 2 0 341.543 3.315 20 0 EGADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386483752 324267831 /nfs/dbraw/zinc/26/78/31/324267831.db2.gz IUAOAMYNMGXKGU-IOMROCGXSA-N 2 0 336.479 3.490 20 0 EGADRP Clc1cccc(Cl)c1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386612150 324268908 /nfs/dbraw/zinc/26/89/08/324268908.db2.gz QZBXTCGCQNZNKI-BETUJISGSA-N 2 0 329.271 3.304 20 0 EGADRP CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388579002 324276252 /nfs/dbraw/zinc/27/62/52/324276252.db2.gz FNVUXBSUYBQZDQ-UFYCRDLUSA-N 2 0 343.515 3.017 20 0 EGADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000392639756 324289035 /nfs/dbraw/zinc/28/90/35/324289035.db2.gz KLESIFIZOWCDSY-HXUWFJFHSA-N 2 0 337.467 3.354 20 0 EGADRP CSC1(C[NH2+]Cc2cnc(C3CCC3)s2)CC[NH+](C)CC1 ZINC000353219503 456568134 /nfs/dbraw/zinc/56/81/34/456568134.db2.gz MQSQFIPOTTZFIJ-UHFFFAOYSA-N 2 0 325.547 3.328 20 0 EGADRP c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000576209679 324567753 /nfs/dbraw/zinc/56/77/53/324567753.db2.gz IRKOCRSRKPELJE-NRFANRHFSA-N 2 0 328.500 3.498 20 0 EGADRP CSc1cc(Br)ccc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000578903683 325035050 /nfs/dbraw/zinc/03/50/50/325035050.db2.gz RWAYEEMZWRAJFH-GXFFZTMASA-N 2 0 329.307 3.483 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000578994876 325047080 /nfs/dbraw/zinc/04/70/80/325047080.db2.gz VPLCYVAULHQCHF-RRFJBIMHSA-N 2 0 340.414 3.307 20 0 EGADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cn2)c1 ZINC000579252003 325085152 /nfs/dbraw/zinc/08/51/52/325085152.db2.gz QCRAJMOSNPOKMC-HZPDHXFCSA-N 2 0 327.428 3.242 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@H](C)C1 ZINC000579733399 325152991 /nfs/dbraw/zinc/15/29/91/325152991.db2.gz CEZNFWIJKRWXPL-MSOLQXFVSA-N 2 0 340.552 3.044 20 0 EGADRP COc1ccccc1[C@H](C[NH2+]Cc1cnc(C)n1C)N1CCCCC1 ZINC000579735031 325153577 /nfs/dbraw/zinc/15/35/77/325153577.db2.gz RRLIWQGOUDALDN-IBGZPJMESA-N 2 0 342.487 3.054 20 0 EGADRP CC(C)n1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000580118389 325205443 /nfs/dbraw/zinc/20/54/43/325205443.db2.gz DZKWDAWGRNQUAA-HKUYNNGSSA-N 2 0 341.503 3.249 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCCC[NH2+]3)cc2)C1 ZINC000580314846 325233583 /nfs/dbraw/zinc/23/35/83/325233583.db2.gz KWEZNMQAXAXQBV-APWZRJJASA-N 2 0 329.488 3.389 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000580618608 325274018 /nfs/dbraw/zinc/27/40/18/325274018.db2.gz ALSFPQGVKMTXOH-OAHLLOKOSA-N 2 0 330.451 3.046 20 0 EGADRP Cc1cc(C)n(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000581669779 325381465 /nfs/dbraw/zinc/38/14/65/325381465.db2.gz GWVBOLKEZWUVDI-GOSISDBHSA-N 2 0 346.544 3.324 20 0 EGADRP Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1F ZINC000583088895 325494700 /nfs/dbraw/zinc/49/47/00/325494700.db2.gz AQVAWWDEPNVTLG-WOJBJXKFSA-N 2 0 344.405 3.230 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157797289 455232799 /nfs/dbraw/zinc/23/27/99/455232799.db2.gz NDSRSEUAHLMYCC-CVAIRZPRSA-N 2 0 332.488 3.235 20 0 EGADRP c1cn(CCC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000183124997 455234058 /nfs/dbraw/zinc/23/40/58/455234058.db2.gz SFPINVGBBLVFFH-HBMCJLEFSA-N 2 0 338.499 3.164 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000180735492 455235916 /nfs/dbraw/zinc/23/59/16/455235916.db2.gz UHWXTBJAXGKVNC-QUCCMNQESA-N 2 0 327.472 3.117 20 0 EGADRP [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000238043085 455247841 /nfs/dbraw/zinc/24/78/41/455247841.db2.gz YIVTVXXBYGLEEO-PXNSSMCTSA-N 2 0 343.515 3.196 20 0 EGADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@H]3c3ccc[nH]3)c2cc1C ZINC000239667444 455262219 /nfs/dbraw/zinc/26/22/19/455262219.db2.gz BQCZRXKJZZQRRZ-APWZRJJASA-N 2 0 338.455 3.179 20 0 EGADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000158137232 455273071 /nfs/dbraw/zinc/27/30/71/455273071.db2.gz CVUZJNMMLIHEBS-OLZOCXBDSA-N 2 0 328.403 3.289 20 0 EGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)c2)CC1 ZINC000180996007 455273410 /nfs/dbraw/zinc/27/34/10/455273410.db2.gz JHZAPBMKXGHCMB-OAQYLSRUSA-N 2 0 343.515 3.067 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000075841014 453930686 /nfs/dbraw/zinc/93/06/86/453930686.db2.gz ZGRMKWGVEYVXGK-QGZVFWFLSA-N 2 0 343.515 3.019 20 0 EGADRP CCCC[N@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076463218 454002597 /nfs/dbraw/zinc/00/25/97/454002597.db2.gz VVSMSSJWZVOYAU-UHFFFAOYSA-N 2 0 331.504 3.021 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](C(C)C)CC2)cc1)C(C)C ZINC000068776849 454051950 /nfs/dbraw/zinc/05/19/50/454051950.db2.gz PYQWQKLMVGBLEM-UHFFFAOYSA-N 2 0 345.531 3.473 20 0 EGADRP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000245959211 455407545 /nfs/dbraw/zinc/40/75/45/455407545.db2.gz DCHQYZMKJDFYLC-ICSRJNTNSA-N 2 0 334.504 3.219 20 0 EGADRP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523843 454064396 /nfs/dbraw/zinc/06/43/96/454064396.db2.gz CDSUECFFYNKGTF-QGZVFWFLSA-N 2 0 335.536 3.045 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000056999173 454095071 /nfs/dbraw/zinc/09/50/71/454095071.db2.gz FPRSROGEFJSBAE-YESZJQIVSA-N 2 0 349.519 3.218 20 0 EGADRP C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000088699582 454117156 /nfs/dbraw/zinc/11/71/56/454117156.db2.gz WIVFCZVNKBJPKA-UWJYYQICSA-N 2 0 346.515 3.454 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246045167 455418518 /nfs/dbraw/zinc/41/85/18/455418518.db2.gz XNWJQYQBKCFOPE-IRXDYDNUSA-N 2 0 339.524 3.096 20 0 EGADRP O[C@H](COc1ccccc1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889176 454155712 /nfs/dbraw/zinc/15/57/12/454155712.db2.gz XJBHRGPIITWPBZ-FQEVSTJZSA-N 2 0 346.515 3.014 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000057912616 454156063 /nfs/dbraw/zinc/15/60/63/454156063.db2.gz CCTXFAOQIZSPGM-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2NC[C@@H](O)C[NH+](C)C ZINC000131490628 454258212 /nfs/dbraw/zinc/25/82/12/454258212.db2.gz KGRMTMNUUKUCTG-AEFFLSMTSA-N 2 0 334.504 3.018 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC(C)(C)C ZINC000120235462 454276039 /nfs/dbraw/zinc/27/60/39/454276039.db2.gz VKLOGYLSFVAINL-IRXDYDNUSA-N 2 0 345.531 3.454 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000090185049 454292049 /nfs/dbraw/zinc/29/20/49/454292049.db2.gz LEXREIFTRFQSDE-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP FC(F)(F)Oc1ccccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090234734 454296978 /nfs/dbraw/zinc/29/69/78/454296978.db2.gz ZYPQUBDBLNGKMF-LSDHHAIUSA-N 2 0 328.378 3.344 20 0 EGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000090408380 454300781 /nfs/dbraw/zinc/30/07/81/454300781.db2.gz ZCXNBLHOXOZKHW-LAUBAEHRSA-N 2 0 329.532 3.413 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3cccnc3)CC2)C1 ZINC000090585483 454324078 /nfs/dbraw/zinc/32/40/78/454324078.db2.gz ULYMOUUTTYQLMM-FQEVSTJZSA-N 2 0 344.547 3.004 20 0 EGADRP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718360 454333201 /nfs/dbraw/zinc/33/32/01/454333201.db2.gz DJVABRVBRHXRAA-GOSISDBHSA-N 2 0 329.488 3.131 20 0 EGADRP CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)[NH+](C)C ZINC000132513387 454344626 /nfs/dbraw/zinc/34/46/26/454344626.db2.gz KIRIQYLGAMOREX-SJLPKXTDSA-N 2 0 331.504 3.106 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1F ZINC000090937428 454352934 /nfs/dbraw/zinc/35/29/34/454352934.db2.gz MNAQPJIUAJQXJM-CQSZACIVSA-N 2 0 347.434 3.021 20 0 EGADRP CCc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000090937263 454353137 /nfs/dbraw/zinc/35/31/37/454353137.db2.gz JGFSQVOQSPINCP-AWEZNQCLSA-N 2 0 333.501 3.497 20 0 EGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000121048939 454383881 /nfs/dbraw/zinc/38/38/81/454383881.db2.gz OQCDLDNTXUQUDC-KBPBESRZSA-N 2 0 329.941 3.326 20 0 EGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133025013 454386541 /nfs/dbraw/zinc/38/65/41/454386541.db2.gz JGVREPBHBBFIHH-BZSNNMDCSA-N 2 0 346.515 3.278 20 0 EGADRP COc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000091343533 454428406 /nfs/dbraw/zinc/42/84/06/454428406.db2.gz ZYRIZKVRAANZBJ-LAUBAEHRSA-N 2 0 346.515 3.483 20 0 EGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3CCCCC3)c2)C1 ZINC000122483929 454538737 /nfs/dbraw/zinc/53/87/37/454538737.db2.gz ARTIQGJNLTZELG-FQEVSTJZSA-N 2 0 343.515 3.054 20 0 EGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000074177318 454541238 /nfs/dbraw/zinc/54/12/38/454541238.db2.gz UZBZWTZCSJOHDU-LJQANCHMSA-N 2 0 338.455 3.382 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122575766 454549495 /nfs/dbraw/zinc/54/94/95/454549495.db2.gz VSSXNISWKPLDQV-QUCCMNQESA-N 2 0 346.515 3.335 20 0 EGADRP C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000122712462 454562207 /nfs/dbraw/zinc/56/22/07/454562207.db2.gz RKAGHLDLIFYSKJ-YUUDKIHESA-N 2 0 349.563 3.407 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)CC(C)C ZINC000246245446 455456910 /nfs/dbraw/zinc/45/69/10/455456910.db2.gz JHLLYGCBMLCTJK-YTQUADARSA-N 2 0 333.520 3.195 20 0 EGADRP Nc1ccc(-c2cccc(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000634990929 460643162 /nfs/dbraw/zinc/64/31/62/460643162.db2.gz IHXBYOHRSWRYEY-SFTDATJTSA-N 2 0 336.483 3.437 20 0 EGADRP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123183026 454612123 /nfs/dbraw/zinc/61/21/23/454612123.db2.gz JGOCVUGRLCAKRY-QGZVFWFLSA-N 2 0 343.515 3.018 20 0 EGADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000092740004 454622691 /nfs/dbraw/zinc/62/26/91/454622691.db2.gz RGHGQOHRTWORSX-ZWKOTPCHSA-N 2 0 345.531 3.138 20 0 EGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)CC1 ZINC000105495374 454641186 /nfs/dbraw/zinc/64/11/86/454641186.db2.gz FKXRKBNMCCCBRM-UHFFFAOYSA-N 2 0 349.478 3.414 20 0 EGADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123554043 454651704 /nfs/dbraw/zinc/65/17/04/454651704.db2.gz NVJOBGFVNORPKW-DLBZAZTESA-N 2 0 340.471 3.010 20 0 EGADRP CC(C)N(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CCCC1 ZINC000123572984 454653712 /nfs/dbraw/zinc/65/37/12/454653712.db2.gz MSQKLBJLGQBGNQ-UHFFFAOYSA-N 2 0 337.552 3.220 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccccc2C)CC1 ZINC000052209233 454662224 /nfs/dbraw/zinc/66/22/24/454662224.db2.gz YUASHYQVVOWIQZ-HXUWFJFHSA-N 2 0 348.531 3.179 20 0 EGADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ncc(Br)cc1F ZINC000635003245 460647131 /nfs/dbraw/zinc/64/71/31/460647131.db2.gz BCTFXOLHPVDTRF-NHCYSSNCSA-N 2 0 330.245 3.151 20 0 EGADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000075007484 454674134 /nfs/dbraw/zinc/67/41/34/454674134.db2.gz YXCSLXMATHFWPC-UHFFFAOYSA-N 2 0 326.431 3.288 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000093133126 454686393 /nfs/dbraw/zinc/68/63/93/454686393.db2.gz TVILQCWXZZKPGL-MRXNPFEDSA-N 2 0 335.561 3.257 20 0 EGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000123973618 454691422 /nfs/dbraw/zinc/69/14/22/454691422.db2.gz FYKCRPNICPFZDP-CQSZACIVSA-N 2 0 338.565 3.037 20 0 EGADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2ccccc2n1 ZINC000635006984 460649261 /nfs/dbraw/zinc/64/92/61/460649261.db2.gz CTLNUJCFONGWOD-OAHLLOKOSA-N 2 0 333.439 3.213 20 0 EGADRP COc1ccc(C2(C[NH2+][C@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000152665838 454708931 /nfs/dbraw/zinc/70/89/31/454708931.db2.gz SJFQEXNMMIYOND-HLIPFELVSA-N 2 0 346.515 3.062 20 0 EGADRP CCc1nc2c(s1)[C@@H]([NH2+]CCc1cn3c(n1)CCCC3)CCC2 ZINC000152780495 454724596 /nfs/dbraw/zinc/72/45/96/454724596.db2.gz XNTSCMITTPGZHO-AWEZNQCLSA-N 2 0 330.501 3.448 20 0 EGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2scnc2C)CC1 ZINC000093769476 454735432 /nfs/dbraw/zinc/73/54/32/454735432.db2.gz LLPCCBKIQLUGEH-UHFFFAOYSA-N 2 0 325.522 3.022 20 0 EGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000124462496 454736344 /nfs/dbraw/zinc/73/63/44/454736344.db2.gz QPFZTMZXOIMQOY-CQSZACIVSA-N 2 0 341.902 3.403 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093844520 454739430 /nfs/dbraw/zinc/73/94/30/454739430.db2.gz DJJMCXAYFYJECB-QGZVFWFLSA-N 2 0 341.503 3.206 20 0 EGADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008652 460651397 /nfs/dbraw/zinc/65/13/97/460651397.db2.gz GDEKNSVJYRCDQC-LAUBAEHRSA-N 2 0 335.495 3.257 20 0 EGADRP CC[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(OC)cc1 ZINC000635008423 460652498 /nfs/dbraw/zinc/65/24/98/460652498.db2.gz JPTHNQZSUINPFL-SFHVURJKSA-N 2 0 326.444 3.063 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)CCC(=O)N2 ZINC000635008797 460652665 /nfs/dbraw/zinc/65/26/65/460652665.db2.gz HDQWUWJOAAFCCL-AWEZNQCLSA-N 2 0 335.451 3.068 20 0 EGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635010704 460653071 /nfs/dbraw/zinc/65/30/71/460653071.db2.gz UYVGQPDGOBZTIX-PXWWUCIGSA-N 2 0 336.785 3.201 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162319245 454767361 /nfs/dbraw/zinc/76/73/61/454767361.db2.gz ALMWXJZRVQREOA-YLJYHZDGSA-N 2 0 343.515 3.067 20 0 EGADRP c1cncc([C@@H]2CCC[C@H](Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)C2)c1 ZINC000635011609 460653833 /nfs/dbraw/zinc/65/38/33/460653833.db2.gz OBNHKMBRJZRCQO-AEFFLSMTSA-N 2 0 337.471 3.025 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cnn(Cc2ccccc2)c1 ZINC000635010640 460653895 /nfs/dbraw/zinc/65/38/95/460653895.db2.gz KTYHVQPXBMQTAB-VQIMIIECSA-N 2 0 326.488 3.360 20 0 EGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000162527062 454781042 /nfs/dbraw/zinc/78/10/42/454781042.db2.gz FRBBYEMPKYYSBN-HZPDHXFCSA-N 2 0 346.544 3.015 20 0 EGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635011834 460655817 /nfs/dbraw/zinc/65/58/17/460655817.db2.gz IAMFJGWPAKNXHB-DOIPELPJSA-N 2 0 327.516 3.080 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cncc(F)c1 ZINC000182227934 455466425 /nfs/dbraw/zinc/46/64/25/455466425.db2.gz YDJAKQNWKLCFST-MGPUTAFESA-N 2 0 343.446 3.028 20 0 EGADRP c1coc([C@H](CNC2CC[NH+](CC3CC3)CC2)[NH+]2CCCCC2)c1 ZINC000154006415 454856114 /nfs/dbraw/zinc/85/61/14/454856114.db2.gz RCEYHSJDAYJJSH-IBGZPJMESA-N 2 0 331.504 3.271 20 0 EGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000177508287 454872327 /nfs/dbraw/zinc/87/23/27/454872327.db2.gz RPKWGHHLOIBIHI-IRXDYDNUSA-N 2 0 326.525 3.013 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CCOC1 ZINC000164494536 454882841 /nfs/dbraw/zinc/88/28/41/454882841.db2.gz SOGUKHRWHSKDFA-LPHOPBHVSA-N 2 0 328.456 3.426 20 0 EGADRP Cn1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000126351339 454887832 /nfs/dbraw/zinc/88/78/32/454887832.db2.gz GNSJCEDMFQNAGT-UHFFFAOYSA-N 2 0 341.499 3.186 20 0 EGADRP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)CN(C)C)cc1C ZINC000154376310 454891063 /nfs/dbraw/zinc/89/10/63/454891063.db2.gz GCJGKJDKWWXQGK-LEWJYISDSA-N 2 0 326.484 3.099 20 0 EGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000126817635 454919992 /nfs/dbraw/zinc/91/99/92/454919992.db2.gz BBPSBBSPRBYPOK-IRXDYDNUSA-N 2 0 327.472 3.214 20 0 EGADRP CC1CCC(Oc2cc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000168147549 454925042 /nfs/dbraw/zinc/92/50/42/454925042.db2.gz IBWMRSBQFLDAEA-JZRYZNKLSA-N 2 0 331.504 3.469 20 0 EGADRP CCC(CC)(CNC(=O)[C@]1(C)CC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000168758960 454927829 /nfs/dbraw/zinc/92/78/29/454927829.db2.gz TVZKAZQXWMXJEE-VQIMIIECSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1nnc([C@@H]2Cc3ccccc3CN2CCCn2ccnc2C)o1 ZINC000127310009 454952742 /nfs/dbraw/zinc/95/27/42/454952742.db2.gz ZHMSBRDXTOQPLE-SFHVURJKSA-N 2 0 337.427 3.073 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000127580881 454979546 /nfs/dbraw/zinc/97/95/46/454979546.db2.gz RFBHQEDRUXEARR-STQMWFEESA-N 2 0 330.303 3.280 20 0 EGADRP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000155627035 455024278 /nfs/dbraw/zinc/02/42/78/455024278.db2.gz YKCSEHAZHSZRPP-IAGOWNOFSA-N 2 0 335.561 3.475 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000155670991 455029175 /nfs/dbraw/zinc/02/91/75/455029175.db2.gz ZGAUGDQTOKQJIA-XLIONFOSSA-N 2 0 329.532 3.143 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000155709120 455034026 /nfs/dbraw/zinc/03/40/26/455034026.db2.gz AZINIFQVKAVPAK-TZIWHRDSSA-N 2 0 331.548 3.259 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000155708780 455034106 /nfs/dbraw/zinc/03/41/06/455034106.db2.gz AZINIFQVKAVPAK-FPOVZHCZSA-N 2 0 331.548 3.259 20 0 EGADRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000128265498 455040743 /nfs/dbraw/zinc/04/07/43/455040743.db2.gz BRAXHEKXUCQNSH-FQEVSTJZSA-N 2 0 333.520 3.154 20 0 EGADRP CC(C)COC(=O)N1CCC([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000151944540 455051680 /nfs/dbraw/zinc/05/16/80/455051680.db2.gz YMBQYNIKWKYACJ-UHFFFAOYSA-N 2 0 347.503 3.095 20 0 EGADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000151961857 455054610 /nfs/dbraw/zinc/05/46/10/455054610.db2.gz KJZQXZWDHDUJEK-HXUWFJFHSA-N 2 0 339.483 3.301 20 0 EGADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000179717994 455069638 /nfs/dbraw/zinc/06/96/38/455069638.db2.gz URGJHGFALBXPHG-KRWDZBQOSA-N 2 0 348.450 3.123 20 0 EGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128588895 455070570 /nfs/dbraw/zinc/07/05/70/455070570.db2.gz IWSQYZMIJHZUAC-HNNXBMFYSA-N 2 0 339.911 3.027 20 0 EGADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000129062479 455097055 /nfs/dbraw/zinc/09/70/55/455097055.db2.gz VJZUPKAGDKLCCL-GHMZBOCLSA-N 2 0 330.259 3.134 20 0 EGADRP CSc1cccc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152370792 455108538 /nfs/dbraw/zinc/10/85/38/455108538.db2.gz FVBKTFVNWANHJA-HUUCEWRRSA-N 2 0 335.517 3.009 20 0 EGADRP CCO[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000119029744 455121376 /nfs/dbraw/zinc/12/13/76/455121376.db2.gz CEQXIKLOXRKGBV-KDURUIRLSA-N 2 0 326.525 3.159 20 0 EGADRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1F ZINC000172575407 455162475 /nfs/dbraw/zinc/16/24/75/455162475.db2.gz JMLLOONUMKXEOJ-INIZCTEOSA-N 2 0 333.451 3.105 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805890 455167987 /nfs/dbraw/zinc/16/79/87/455167987.db2.gz ZMCGOAOGXBRJNE-GPMSIDNRSA-N 2 0 333.545 3.376 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180442036 455171340 /nfs/dbraw/zinc/17/13/40/455171340.db2.gz KVWNDOZEMPWHKN-KUHUBIRLSA-N 2 0 341.434 3.079 20 0 EGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182834453 455174635 /nfs/dbraw/zinc/17/46/35/455174635.db2.gz XKQRNLQZKLDKNL-FQEVSTJZSA-N 2 0 333.495 3.066 20 0 EGADRP CC(C)N(C(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000157447938 455194976 /nfs/dbraw/zinc/19/49/76/455194976.db2.gz KVZVESAPFVCBDI-SFHVURJKSA-N 2 0 335.536 3.116 20 0 EGADRP CC(C)OC1CC([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000189533621 455216636 /nfs/dbraw/zinc/21/66/36/455216636.db2.gz KLIXJKCFWBQDGN-FAEJEUNOSA-N 2 0 349.494 3.184 20 0 EGADRP CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000183053387 455217554 /nfs/dbraw/zinc/21/75/54/455217554.db2.gz AQONMSNMMLFCFI-CVEARBPZSA-N 2 0 349.544 3.198 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000173385289 455277487 /nfs/dbraw/zinc/27/74/87/455277487.db2.gz SUSNXAVNNCRFCO-SJORKVTESA-N 2 0 335.561 3.333 20 0 EGADRP CC[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000245562760 455331175 /nfs/dbraw/zinc/33/11/75/455331175.db2.gz PICGCFLWGCWEEL-XLIONFOSSA-N 2 0 345.531 3.216 20 0 EGADRP Cc1cccn2c(C[NH2+]CCc3nc(-c4ccccn4)cs3)cnc12 ZINC000174412579 455388090 /nfs/dbraw/zinc/38/80/90/455388090.db2.gz UUCTUAGFOQCAMP-UHFFFAOYSA-N 2 0 349.463 3.494 20 0 EGADRP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246010064 455414251 /nfs/dbraw/zinc/41/42/51/455414251.db2.gz KXABKFKKNORICI-RBUKOAKNSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000246285283 455463681 /nfs/dbraw/zinc/46/36/81/455463681.db2.gz BWQQTYGMJSXIJM-QZMQVMSPSA-N 2 0 336.545 3.443 20 0 EGADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000246280922 455463930 /nfs/dbraw/zinc/46/39/30/455463930.db2.gz MNSSELGJCOKCQR-ZCNNSNEGSA-N 2 0 343.515 3.012 20 0 EGADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182266369 455476397 /nfs/dbraw/zinc/47/63/97/455476397.db2.gz VGZKJVPYRFQEAH-XUEUYAKLSA-N 2 0 336.479 3.276 20 0 EGADRP CN(CC[N@H+](C)CCCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000182272543 455477708 /nfs/dbraw/zinc/47/77/08/455477708.db2.gz GXGKVXATQSKZPD-UHFFFAOYSA-N 2 0 337.939 3.230 20 0 EGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000175665222 455480315 /nfs/dbraw/zinc/48/03/15/455480315.db2.gz KXPKBOVNJGBGFK-UHFFFAOYSA-N 2 0 345.512 3.014 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000191494904 455491141 /nfs/dbraw/zinc/49/11/41/455491141.db2.gz DPFLDBHTHSNERF-UHFFFAOYSA-N 2 0 347.522 3.249 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)[C@@H](C)C1 ZINC000246466047 455494145 /nfs/dbraw/zinc/49/41/45/455494145.db2.gz QEGBJAZHRKMEHS-GJZGRUSLSA-N 2 0 330.501 3.068 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246837387 455529095 /nfs/dbraw/zinc/52/90/95/455529095.db2.gz ASRVLQUWJNMUQD-SESVDKBCSA-N 2 0 329.532 3.452 20 0 EGADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2sccc2C[NH+](C)C)c1 ZINC000268012672 455579443 /nfs/dbraw/zinc/57/94/43/455579443.db2.gz HEKZFOFPFGXPPM-UHFFFAOYSA-N 2 0 345.512 3.191 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000182746406 455580160 /nfs/dbraw/zinc/58/01/60/455580160.db2.gz IQTMQKIIPWXUPQ-UHFFFAOYSA-N 2 0 331.504 3.120 20 0 EGADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000182766055 455583188 /nfs/dbraw/zinc/58/31/88/455583188.db2.gz AFEYBHGURJTNET-LJQANCHMSA-N 2 0 331.504 3.047 20 0 EGADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000271317067 455595987 /nfs/dbraw/zinc/59/59/87/455595987.db2.gz CVHYNXGUEROCIH-QZTJIDSGSA-N 2 0 345.531 3.122 20 0 EGADRP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000271367494 455612846 /nfs/dbraw/zinc/61/28/46/455612846.db2.gz GIPKBWHNTBTGFJ-XKGZKEIXSA-N 2 0 334.504 3.481 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)[C@@H](C)C1 ZINC000283939892 455613924 /nfs/dbraw/zinc/61/39/24/455613924.db2.gz FJCFFDZMFRUWLT-VDGAXYAQSA-N 2 0 346.515 3.496 20 0 EGADRP C[C@H]([NH2+]CCCc1nccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000271422898 455630938 /nfs/dbraw/zinc/63/09/38/455630938.db2.gz ARVRMOQOKXQKGP-HNNXBMFYSA-N 2 0 333.501 3.367 20 0 EGADRP C[NH+]1CCC(CC[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192551462 455641650 /nfs/dbraw/zinc/64/16/50/455641650.db2.gz LZXYVYMJWYEUCF-UHFFFAOYSA-N 2 0 329.257 3.410 20 0 EGADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247888402 455652636 /nfs/dbraw/zinc/65/26/36/455652636.db2.gz DPYPVYHFPYZKQV-IHPCNDPISA-N 2 0 345.531 3.152 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000271510206 455664455 /nfs/dbraw/zinc/66/44/55/455664455.db2.gz NTMUGTHLUDHCKR-QHAWAJNXSA-N 2 0 328.500 3.422 20 0 EGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC000192780973 455691064 /nfs/dbraw/zinc/69/10/64/455691064.db2.gz GJJVENKAXUROJV-UHFFFAOYSA-N 2 0 335.923 3.114 20 0 EGADRP CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000248214961 455697916 /nfs/dbraw/zinc/69/79/16/455697916.db2.gz ZLWUBQNEENBAHX-MJGOQNOKSA-N 2 0 333.520 3.152 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C)CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000248401575 455713604 /nfs/dbraw/zinc/71/36/04/455713604.db2.gz LXGUEJDYJWISKE-SLYNCCJLSA-N 2 0 343.515 3.030 20 0 EGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000268967151 455747423 /nfs/dbraw/zinc/74/74/23/455747423.db2.gz HIWSIAFQKWMRQX-SFHVURJKSA-N 2 0 338.495 3.253 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000271767381 455752642 /nfs/dbraw/zinc/75/26/42/455752642.db2.gz FGCOFACCIHXHEZ-DOTOQJQBSA-N 2 0 331.460 3.168 20 0 EGADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000292782019 455756756 /nfs/dbraw/zinc/75/67/56/455756756.db2.gz PXZIMSWXZFFWFL-INIZCTEOSA-N 2 0 331.460 3.170 20 0 EGADRP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000193461436 455760482 /nfs/dbraw/zinc/76/04/82/455760482.db2.gz GVLNHGRVGGGQTG-GOSISDBHSA-N 2 0 329.488 3.213 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000271802265 455766804 /nfs/dbraw/zinc/76/68/04/455766804.db2.gz XUGSYHMBXUWVDD-ICSRJNTNSA-N 2 0 346.515 3.215 20 0 EGADRP COC(=O)c1cc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)oc1C ZINC000293033286 455772749 /nfs/dbraw/zinc/77/27/49/455772749.db2.gz WKIQFYVRZLWAKI-CQSZACIVSA-N 2 0 336.476 3.489 20 0 EGADRP C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269047118 455774931 /nfs/dbraw/zinc/77/49/31/455774931.db2.gz VCVGBPPCUFHLII-KBPBESRZSA-N 2 0 348.409 3.245 20 0 EGADRP C[C@H](CCO)C1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000271822202 455775094 /nfs/dbraw/zinc/77/50/94/455775094.db2.gz CKAUQYAHVKEBTH-QZTJIDSGSA-N 2 0 348.531 3.466 20 0 EGADRP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000269081635 455785395 /nfs/dbraw/zinc/78/53/95/455785395.db2.gz ZRYZTWUAJWTVHC-UYAOXDASSA-N 2 0 325.456 3.470 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000269120718 455792597 /nfs/dbraw/zinc/79/25/97/455792597.db2.gz XMIBTRUHICPMDE-GDBMZVCRSA-N 2 0 340.533 3.425 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)NC(C)(C)C ZINC000194017682 455792866 /nfs/dbraw/zinc/79/28/66/455792866.db2.gz YRRYZZKRTLOZHB-KRWDZBQOSA-N 2 0 345.531 3.311 20 0 EGADRP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3F)nc2)CC1 ZINC000269125050 455794105 /nfs/dbraw/zinc/79/41/05/455794105.db2.gz GTKWDXIEVNJLDM-UHFFFAOYSA-N 2 0 328.435 3.363 20 0 EGADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000186598488 455802154 /nfs/dbraw/zinc/80/21/54/455802154.db2.gz ALWDTMPDBMDGRS-KSSFIOAISA-N 2 0 325.447 3.032 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000194260381 455820262 /nfs/dbraw/zinc/82/02/62/455820262.db2.gz NBJPPTGYTSRHRU-GOSISDBHSA-N 2 0 349.544 3.122 20 0 EGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000194298352 455824491 /nfs/dbraw/zinc/82/44/91/455824491.db2.gz MPRRENKJCISHND-HXUWFJFHSA-N 2 0 330.472 3.190 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCCCC[NH3+] ZINC000269278670 455826200 /nfs/dbraw/zinc/82/62/00/455826200.db2.gz YYFGAIIELABEIB-HXUWFJFHSA-N 2 0 345.531 3.266 20 0 EGADRP Cc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000187159403 455874576 /nfs/dbraw/zinc/87/45/76/455874576.db2.gz XPIPVYQIEBEOBL-GHTZIAJQSA-N 2 0 329.532 3.309 20 0 EGADRP C[C@H]([NH2+]Cc1cccc2nccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209589 455877874 /nfs/dbraw/zinc/87/78/74/455877874.db2.gz PYTVYUIQSNHJOH-PKOBYXMFSA-N 2 0 334.467 3.335 20 0 EGADRP Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000272251432 455892441 /nfs/dbraw/zinc/89/24/41/455892441.db2.gz CCDHTKWMZBOXRB-AEFFLSMTSA-N 2 0 338.455 3.422 20 0 EGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(O)c1 ZINC000194956697 455905436 /nfs/dbraw/zinc/90/54/36/455905436.db2.gz ILZYFTKMVNXSPS-OXJNMPFZSA-N 2 0 340.467 3.200 20 0 EGADRP C[C@]1(C[NH3+])CCN(CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000261602407 455911537 /nfs/dbraw/zinc/91/15/37/455911537.db2.gz AAQSFJZGEXMQJN-HXUWFJFHSA-N 2 0 335.536 3.151 20 0 EGADRP CCn1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272329227 455915777 /nfs/dbraw/zinc/91/57/77/455915777.db2.gz MRQFGJBYVSDQNA-LNLFQRSKSA-N 2 0 326.488 3.464 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000272334086 455917979 /nfs/dbraw/zinc/91/79/79/455917979.db2.gz YJUWFKWVHPXCJW-LLGFUMIMSA-N 2 0 345.531 3.032 20 0 EGADRP C[C@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000261729134 455936990 /nfs/dbraw/zinc/93/69/90/455936990.db2.gz KSZXDHYDUGUBLQ-IJXRJRJASA-N 2 0 343.515 3.015 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000280292195 455938051 /nfs/dbraw/zinc/93/80/51/455938051.db2.gz UQXNHYXWLFDTJL-KRWDZBQOSA-N 2 0 326.488 3.466 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187756479 455948412 /nfs/dbraw/zinc/94/84/12/455948412.db2.gz FDDVVAIZSRKZII-ZHCJQAHYSA-N 2 0 339.524 3.093 20 0 EGADRP COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280343511 455951093 /nfs/dbraw/zinc/95/10/93/455951093.db2.gz QWIIKNWMGRGKQY-AEFFLSMTSA-N 2 0 332.488 3.076 20 0 EGADRP Cc1cccc(CCC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000272443368 455953021 /nfs/dbraw/zinc/95/30/21/455953021.db2.gz BKQGCVPDIMBIIJ-UHFFFAOYSA-N 2 0 343.559 3.418 20 0 EGADRP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000280387642 455960770 /nfs/dbraw/zinc/96/07/70/455960770.db2.gz USFRKFKNDCGHBH-PWRODBHTSA-N 2 0 330.516 3.394 20 0 EGADRP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000280387636 455960972 /nfs/dbraw/zinc/96/09/72/455960972.db2.gz USFRKFKNDCGHBH-PCCBWWKXSA-N 2 0 330.516 3.394 20 0 EGADRP C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272502915 455972736 /nfs/dbraw/zinc/97/27/36/455972736.db2.gz LNFFQACZUNRIMI-WSTZPKSXSA-N 2 0 326.488 3.162 20 0 EGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286089296 455975096 /nfs/dbraw/zinc/97/50/96/455975096.db2.gz MPLYTIFZRFYIFF-MRXNPFEDSA-N 2 0 345.487 3.324 20 0 EGADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000272588834 456003788 /nfs/dbraw/zinc/00/37/88/456003788.db2.gz RQXBOJWONGILBR-MTQWCTHYSA-N 2 0 340.467 3.122 20 0 EGADRP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)CCC2)c1 ZINC000262173144 456007821 /nfs/dbraw/zinc/00/78/21/456007821.db2.gz VLNFATSTGCAWQB-WMZOPIPTSA-N 2 0 332.488 3.051 20 0 EGADRP COCC1CCC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000296687094 456009875 /nfs/dbraw/zinc/00/98/75/456009875.db2.gz HFHIJEQBGWPQHM-UHFFFAOYSA-N 2 0 346.515 3.454 20 0 EGADRP CC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000286263284 456011867 /nfs/dbraw/zinc/01/18/67/456011867.db2.gz VBNLVHWNIJGSBZ-XUVXKRRUSA-N 2 0 328.500 3.303 20 0 EGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272628976 456018532 /nfs/dbraw/zinc/01/85/32/456018532.db2.gz ZXMSAJFONXKZBN-KRWDZBQOSA-N 2 0 334.504 3.346 20 0 EGADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cs1 ZINC000296814957 456044712 /nfs/dbraw/zinc/04/47/12/456044712.db2.gz LYUASGJUJDSAEY-HNNXBMFYSA-N 2 0 345.512 3.199 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000270846349 456051807 /nfs/dbraw/zinc/05/18/07/456051807.db2.gz WUGWVDMZJSXMRD-YYWHXJBOSA-N 2 0 328.500 3.089 20 0 EGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263055458 456084885 /nfs/dbraw/zinc/08/48/85/456084885.db2.gz UWFJOOYMGYPSOM-LKUPVBHCSA-N 2 0 343.515 3.236 20 0 EGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CC2([NH3+])CCC2)c1 ZINC000236726925 456175961 /nfs/dbraw/zinc/17/59/61/456175961.db2.gz FKUHNXXZLGNIFC-UHFFFAOYSA-N 2 0 331.504 3.196 20 0 EGADRP CCC(CC)(CNC(=O)C1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000236826941 456190596 /nfs/dbraw/zinc/19/05/96/456190596.db2.gz BAULMXOBTKPJHN-MRXNPFEDSA-N 2 0 331.504 3.012 20 0 EGADRP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000289959568 456195904 /nfs/dbraw/zinc/19/59/04/456195904.db2.gz WWAXYAIMPCLZTJ-WMLDXEAASA-N 2 0 330.501 3.032 20 0 EGADRP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297361981 456199957 /nfs/dbraw/zinc/19/99/57/456199957.db2.gz GWCBMPUNWCYBAU-GOSISDBHSA-N 2 0 338.499 3.161 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000263730019 456205278 /nfs/dbraw/zinc/20/52/78/456205278.db2.gz YFWZAETVOIYLSI-UHFFFAOYSA-N 2 0 331.504 3.133 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189033453 456205324 /nfs/dbraw/zinc/20/53/24/456205324.db2.gz GTTRRYXTNYNRRT-PZJWPPBQSA-N 2 0 329.532 3.013 20 0 EGADRP c1ccc(C[C@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000189221830 456257147 /nfs/dbraw/zinc/25/71/47/456257147.db2.gz HMLBUPLXGQJSFK-RZUBCFFCSA-N 2 0 342.527 3.488 20 0 EGADRP COCCCOc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290288988 456281422 /nfs/dbraw/zinc/28/14/22/456281422.db2.gz ADWRYUMTPIUJAR-FQEVSTJZSA-N 2 0 346.515 3.266 20 0 EGADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000302100948 456288098 /nfs/dbraw/zinc/28/80/98/456288098.db2.gz LVORXVACANBXBF-IAGOWNOFSA-N 2 0 341.540 3.103 20 0 EGADRP Cc1ccc2[nH+]ccc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000302135844 456296634 /nfs/dbraw/zinc/29/66/34/456296634.db2.gz AYUDDJCNFLMZAH-KRWDZBQOSA-N 2 0 325.456 3.092 20 0 EGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000275782567 456311938 /nfs/dbraw/zinc/31/19/38/456311938.db2.gz MTFXQSBSDJAZQH-GOSISDBHSA-N 2 0 347.522 3.420 20 0 EGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C[C@@H](C)O1 ZINC000352808796 456326045 /nfs/dbraw/zinc/32/60/45/456326045.db2.gz ZJXPOIGHVZPUOP-IAGOWNOFSA-N 2 0 341.499 3.489 20 0 EGADRP CC(C)[NH+](CCCNC(=O)NCC1([NH+](C)C)CCCCC1)C(C)C ZINC000347724748 456329036 /nfs/dbraw/zinc/32/90/36/456329036.db2.gz SURUICHFPWFAAY-UHFFFAOYSA-N 2 0 340.556 3.059 20 0 EGADRP CN1CC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000340235862 456330554 /nfs/dbraw/zinc/33/05/54/456330554.db2.gz NQYCYRCTJMFGRL-CTNGQTDRSA-N 2 0 347.466 3.192 20 0 EGADRP Fc1cc(F)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(F)c1F ZINC000298037679 456350483 /nfs/dbraw/zinc/35/04/83/456350483.db2.gz GVXHNCDZYGURFW-UHFFFAOYSA-N 2 0 339.336 3.397 20 0 EGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352854656 456365224 /nfs/dbraw/zinc/36/52/24/456365224.db2.gz RECOXAJMVYHQCQ-CYBMUJFWSA-N 2 0 336.423 3.093 20 0 EGADRP CCN1CC[NH+](C[C@H](C)CNc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000302648284 456368389 /nfs/dbraw/zinc/36/83/89/456368389.db2.gz JJVKFAGJXIILLK-OAHLLOKOSA-N 2 0 344.478 3.368 20 0 EGADRP Cc1nccn1CCC[N@@H+](C)Cc1ccnn1-c1ccc(F)cc1 ZINC000290605193 456379949 /nfs/dbraw/zinc/37/99/49/456379949.db2.gz WEJWYRNXSWMICH-UHFFFAOYSA-N 2 0 327.407 3.038 20 0 EGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340350021 456406883 /nfs/dbraw/zinc/40/68/83/456406883.db2.gz KUYSLCWUGSEWKG-UXHICEINSA-N 2 0 328.500 3.456 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccccc2OC)[C@H](C)C1 ZINC000276191402 456409572 /nfs/dbraw/zinc/40/95/72/456409572.db2.gz IEWVUPDBISYVOW-UYAOXDASSA-N 2 0 348.531 3.354 20 0 EGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1(C)C ZINC000282222735 456447689 /nfs/dbraw/zinc/44/76/89/456447689.db2.gz IBYZCZLVJNEIHA-OALUTQOASA-N 2 0 329.532 3.184 20 0 EGADRP Cc1[nH]nc2ncc(C[NH2+]Cc3cccc(C[N@@H+](C)C(C)C)c3)cc12 ZINC000340433986 456458349 /nfs/dbraw/zinc/45/83/49/456458349.db2.gz QZSMVILEWOUSNJ-UHFFFAOYSA-N 2 0 337.471 3.396 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000282257707 456458600 /nfs/dbraw/zinc/45/86/00/456458600.db2.gz QSBTWYOXECNOKV-RTWAWAEBSA-N 2 0 342.527 3.490 20 0 EGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000282257698 456458926 /nfs/dbraw/zinc/45/89/26/456458926.db2.gz QSBTWYOXECNOKV-LEWJYISDSA-N 2 0 342.527 3.490 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)s2)cn1 ZINC000282345535 456484304 /nfs/dbraw/zinc/48/43/04/456484304.db2.gz WGKNHUTZUANIDK-UHFFFAOYSA-N 2 0 330.501 3.113 20 0 EGADRP CCOC(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OCC ZINC000276581733 456520491 /nfs/dbraw/zinc/52/04/91/456520491.db2.gz VFWITMVFOJFOLP-UHFFFAOYSA-N 2 0 334.504 3.072 20 0 EGADRP C/C(=C/c1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305186681 456535473 /nfs/dbraw/zinc/53/54/73/456535473.db2.gz XIWCSUGILAIHSB-PTXNGATOSA-N 2 0 328.500 3.447 20 0 EGADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298914731 456568236 /nfs/dbraw/zinc/56/82/36/456568236.db2.gz NGINXDRKNZPNNG-HZPDHXFCSA-N 2 0 347.478 3.397 20 0 EGADRP Cc1ncn(-c2ccc(N[C@@H](C)C3CCS(=O)(=O)CC3)cc2)c1C ZINC000291322389 456605855 /nfs/dbraw/zinc/60/58/55/456605855.db2.gz SYABNAITHKKDFN-AWEZNQCLSA-N 2 0 347.484 3.114 20 0 EGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000282747401 456613728 /nfs/dbraw/zinc/61/37/28/456613728.db2.gz GNBPDIDDXJQTDP-UHFFFAOYSA-N 2 0 341.503 3.048 20 0 EGADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291384038 456627162 /nfs/dbraw/zinc/62/71/62/456627162.db2.gz BOCXCWUEHBMYBO-WOJBJXKFSA-N 2 0 328.500 3.278 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1)C1CC1 ZINC000338000049 456647985 /nfs/dbraw/zinc/64/79/85/456647985.db2.gz LNDMFCOBZHMPCH-UHFFFAOYSA-N 2 0 343.515 3.275 20 0 EGADRP COC1(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CCOCC1 ZINC000277005825 456650022 /nfs/dbraw/zinc/65/00/22/456650022.db2.gz KLDSENTWBSTJDG-UHFFFAOYSA-N 2 0 346.515 3.348 20 0 EGADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccc1-n1ccnn1 ZINC000353432910 456695103 /nfs/dbraw/zinc/69/51/03/456695103.db2.gz DMBCRIIXPYKOQR-QGZVFWFLSA-N 2 0 327.476 3.040 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000277171131 456706418 /nfs/dbraw/zinc/70/64/18/456706418.db2.gz KRYLENVLFSOWKX-CQSZACIVSA-N 2 0 333.432 3.298 20 0 EGADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277186594 456714573 /nfs/dbraw/zinc/71/45/73/456714573.db2.gz UKFBOZCLDHFOGF-RTWAWAEBSA-N 2 0 348.506 3.362 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000338238615 456725736 /nfs/dbraw/zinc/72/57/36/456725736.db2.gz UBNRENRRSJZTOO-UXHICEINSA-N 2 0 338.536 3.364 20 0 EGADRP COCC(C)(C)C[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000291796475 456760507 /nfs/dbraw/zinc/76/05/07/456760507.db2.gz WTNPBRNJKYKRGU-UHFFFAOYSA-N 2 0 340.265 3.167 20 0 EGADRP CCOc1ccc([C@H](O)C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000291795281 456760572 /nfs/dbraw/zinc/76/05/72/456760572.db2.gz MVQKIEMPGNVWJE-FPOVZHCZSA-N 2 0 346.515 3.315 20 0 EGADRP COC1CCC([NH+](C)CCC[N@@H+](C)C2CCC(OC)CC2)CC1 ZINC000343677473 456765355 /nfs/dbraw/zinc/76/53/55/456765355.db2.gz BDSVLVPCDVVZRG-UHFFFAOYSA-N 2 0 326.525 3.155 20 0 EGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc21 ZINC000283497678 456791514 /nfs/dbraw/zinc/79/15/14/456791514.db2.gz YMGKENDATWLYIC-MOPGFXCFSA-N 2 0 330.472 3.244 20 0 EGADRP CC(C)Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000340990528 456803669 /nfs/dbraw/zinc/80/36/69/456803669.db2.gz IRRXWJQPNWOPDK-UHFFFAOYSA-N 2 0 331.548 3.343 20 0 EGADRP CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000348665369 456807054 /nfs/dbraw/zinc/80/70/54/456807054.db2.gz ZINSUZXDRWUVFQ-XLIONFOSSA-N 2 0 345.531 3.121 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292013697 456829644 /nfs/dbraw/zinc/82/96/44/456829644.db2.gz BSGGSSVXCFAOFE-IRXDYDNUSA-N 2 0 331.504 3.159 20 0 EGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292071442 456846523 /nfs/dbraw/zinc/84/65/23/456846523.db2.gz LCTUXHDFADVOHB-QGZVFWFLSA-N 2 0 347.528 3.015 20 0 EGADRP C[N@@H+]1CC[C@]2(CC[NH+](CCc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000292102127 456856358 /nfs/dbraw/zinc/85/63/58/456856358.db2.gz IBJLSKXDMAQQNE-INIZCTEOSA-N 2 0 328.378 3.155 20 0 EGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000349199064 456911441 /nfs/dbraw/zinc/91/14/41/456911441.db2.gz XVMRPSJIVCYAIH-OAHLLOKOSA-N 2 0 330.501 3.302 20 0 EGADRP C[C@@H]([NH2+]Cc1cnn2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000353893204 456954509 /nfs/dbraw/zinc/95/45/09/456954509.db2.gz ZRVHPIJZKXLEQW-MRXNPFEDSA-N 2 0 338.455 3.126 20 0 EGADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000353933588 456970804 /nfs/dbraw/zinc/97/08/04/456970804.db2.gz QACOABUBHTUKMU-YTQUADARSA-N 2 0 332.488 3.076 20 0 EGADRP CCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971119 456984051 /nfs/dbraw/zinc/98/40/51/456984051.db2.gz IGELWSAVSVCKFM-IEBWSBKVSA-N 2 0 333.520 3.152 20 0 EGADRP CC(C)C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000345689583 456988269 /nfs/dbraw/zinc/98/82/69/456988269.db2.gz JHXIXWVHBJXNRI-PMACEKPBSA-N 2 0 345.531 3.134 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)CC[C@@H]2C)cc1 ZINC000354009377 457005520 /nfs/dbraw/zinc/00/55/20/457005520.db2.gz VGXKKNCFYKTKIS-KRWDZBQOSA-N 2 0 331.504 3.085 20 0 EGADRP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC000345973746 457009382 /nfs/dbraw/zinc/00/93/82/457009382.db2.gz BKDSARFFOFWPHW-YTQUADARSA-N 2 0 331.504 3.059 20 0 EGADRP CCc1nc2c(s1)[C@H]([NH2+]CCOCC[NH+](CC)CC)CCC2 ZINC000349665031 457010862 /nfs/dbraw/zinc/01/08/62/457010862.db2.gz MQSASTDCFMUJNJ-CQSZACIVSA-N 2 0 325.522 3.031 20 0 EGADRP CCc1ncc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)s1 ZINC000354035621 457023818 /nfs/dbraw/zinc/02/38/18/457023818.db2.gz ZWMJDNDXOVCSKP-UHFFFAOYSA-N 2 0 325.522 3.028 20 0 EGADRP CC(C)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cn1 ZINC000354035742 457023996 /nfs/dbraw/zinc/02/39/96/457023996.db2.gz NPRXZUVYMWPFHO-LJQANCHMSA-N 2 0 346.450 3.043 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000359103338 457055379 /nfs/dbraw/zinc/05/53/79/457055379.db2.gz HPMHERDTYLNGPX-HNNXBMFYSA-N 2 0 335.458 3.115 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000354095703 457059549 /nfs/dbraw/zinc/05/95/49/457059549.db2.gz DKEJDWZHAQVDRI-FQEVSTJZSA-N 2 0 334.504 3.407 20 0 EGADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000354098327 457060570 /nfs/dbraw/zinc/06/05/70/457060570.db2.gz WEXJMUVOCKEMAI-KRWDZBQOSA-N 2 0 342.430 3.221 20 0 EGADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000346651154 457093672 /nfs/dbraw/zinc/09/36/72/457093672.db2.gz GZKXIDAPCSZGRX-UHFFFAOYSA-N 2 0 328.403 3.118 20 0 EGADRP Cn1cc(-c2ccc(C[N@H+](CCC[NH3+])Cc3ccccc3)s2)cn1 ZINC000339406308 457096161 /nfs/dbraw/zinc/09/61/61/457096161.db2.gz FFAZWIPPNYFJTC-UHFFFAOYSA-N 2 0 340.496 3.500 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000362872228 457135493 /nfs/dbraw/zinc/13/54/93/457135493.db2.gz POGMELGPEMQWLL-MOPGFXCFSA-N 2 0 349.563 3.412 20 0 EGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000359925072 457151507 /nfs/dbraw/zinc/15/15/07/457151507.db2.gz KRQMQENAJOABDA-LQWHRVPQSA-N 3 0 329.532 3.348 20 0 EGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)CC1 ZINC000362912945 457152158 /nfs/dbraw/zinc/15/21/58/457152158.db2.gz KJYVJYCZKDOCTK-UHFFFAOYSA-N 2 0 327.516 3.246 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000356773469 457161093 /nfs/dbraw/zinc/16/10/93/457161093.db2.gz LSLLTOMYBKKPRG-LPHOPBHVSA-N 2 0 349.494 3.025 20 0 EGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000359950765 457166330 /nfs/dbraw/zinc/16/63/30/457166330.db2.gz UVOIKXJJYQNXIC-OPYAIIAOSA-N 2 0 329.532 3.491 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000346882625 457188040 /nfs/dbraw/zinc/18/80/40/457188040.db2.gz YOXYWAKVCIYGKL-SJLPKXTDSA-N 2 0 331.504 3.106 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000354389073 457193342 /nfs/dbraw/zinc/19/33/42/457193342.db2.gz WBZGKSXMSPTZOG-RTBURBONSA-N 2 0 331.504 3.060 20 0 EGADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)C2 ZINC000331728641 457241022 /nfs/dbraw/zinc/24/10/22/457241022.db2.gz ZPUBRVUPGDMKJM-HHXXYDBFSA-N 2 0 329.488 3.455 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000347131406 457246659 /nfs/dbraw/zinc/24/66/59/457246659.db2.gz QXQUILHKNRGYDB-UHFFFAOYSA-N 2 0 334.357 3.198 20 0 EGADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000331767219 457247694 /nfs/dbraw/zinc/24/76/94/457247694.db2.gz HANAIXIMUDZWJP-JLSDUUJJSA-N 2 0 347.528 3.275 20 0 EGADRP CC(C)[C@@H]1C[NH+](C/C=C/C[N@@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339812522 457284937 /nfs/dbraw/zinc/28/49/37/457284937.db2.gz KVISGJWIOJPXCO-KJBZUCPPSA-N 2 0 338.536 3.036 20 0 EGADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347205576 457287302 /nfs/dbraw/zinc/28/73/02/457287302.db2.gz LUGHMOQFZVOYDR-DNVCBOLYSA-N 2 0 326.488 3.107 20 0 EGADRP COc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1OC(C)C ZINC000357043566 457294626 /nfs/dbraw/zinc/29/46/26/457294626.db2.gz GOFFGAUJLOFGNV-QGZVFWFLSA-N 2 0 332.488 3.304 20 0 EGADRP CC(C)[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000354668405 457306876 /nfs/dbraw/zinc/30/68/76/457306876.db2.gz VKLQEJULOYRBQW-RTBURBONSA-N 2 0 337.552 3.268 20 0 EGADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357080851 457311227 /nfs/dbraw/zinc/31/12/27/457311227.db2.gz NGLFZJQEHMBSQR-SFHVURJKSA-N 2 0 325.456 3.472 20 0 EGADRP [NH3+]CCOCC[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000357082801 457312927 /nfs/dbraw/zinc/31/29/27/457312927.db2.gz PHLCFYTVQJVWON-UHFFFAOYSA-N 2 0 330.394 3.425 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360836631 457376137 /nfs/dbraw/zinc/37/61/37/457376137.db2.gz MXTDSRHNCMJTJY-FQEVSTJZSA-N 2 0 329.532 3.415 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000356046092 457441815 /nfs/dbraw/zinc/44/18/15/457441815.db2.gz SBOORKNYWSAIFV-VQTJNVASSA-N 2 0 345.531 3.276 20 0 EGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000342674437 457447543 /nfs/dbraw/zinc/44/75/43/457447543.db2.gz HKEAWHARICPBBW-IAGOWNOFSA-N 2 0 331.504 3.017 20 0 EGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000347474038 457451865 /nfs/dbraw/zinc/45/18/65/457451865.db2.gz LKKPTNQFGIFEBJ-APWZRJJASA-N 2 0 331.504 3.195 20 0 EGADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000392294479 457459425 /nfs/dbraw/zinc/45/94/25/457459425.db2.gz PRQGFJQMXGJPCR-RDJZCZTQSA-N 2 0 337.508 3.016 20 0 EGADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000397287893 457486253 /nfs/dbraw/zinc/48/62/53/457486253.db2.gz VKYXCQFGGCRDRD-IPYPFGDCSA-N 2 0 342.430 3.492 20 0 EGADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397501296 457487543 /nfs/dbraw/zinc/48/75/43/457487543.db2.gz ACFVWWBRNJUZKD-IBGZPJMESA-N 2 0 345.531 3.039 20 0 EGADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)c2C1 ZINC000352633616 457497083 /nfs/dbraw/zinc/49/70/83/457497083.db2.gz QLVVBHXIIPOZLZ-HOTGVXAUSA-N 2 0 329.488 3.470 20 0 EGADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400975798 457521622 /nfs/dbraw/zinc/52/16/22/457521622.db2.gz RPXWUJNGMXSXOY-NCYKPQTJSA-N 2 0 341.543 3.265 20 0 EGADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404515207 457544458 /nfs/dbraw/zinc/54/44/58/457544458.db2.gz SBFITKPFIPGENC-IXDOHACOSA-N 2 0 331.504 3.014 20 0 EGADRP Cc1cc([C@H](C)[NH2+]CCOCC[NH+](C)C)sc1Br ZINC000352738555 457573243 /nfs/dbraw/zinc/57/32/43/457573243.db2.gz UUADJEOARZUZCC-NSHDSACASA-N 2 0 335.311 3.048 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C/C=C/c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000352756188 457584553 /nfs/dbraw/zinc/58/45/53/457584553.db2.gz OXGNBBUSTJTDAQ-AXHPFZFWSA-N 2 0 338.442 3.457 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000361176330 457630370 /nfs/dbraw/zinc/63/03/70/457630370.db2.gz IVEGZRSUEOAEFY-UHFFFAOYSA-N 2 0 349.519 3.064 20 0 EGADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000370526852 457665916 /nfs/dbraw/zinc/66/59/16/457665916.db2.gz GHIVZZOVZOJSIU-MOPGFXCFSA-N 2 0 349.519 3.298 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000370624515 457684633 /nfs/dbraw/zinc/68/46/33/457684633.db2.gz MAHBZKFQWBBENK-STQMWFEESA-N 2 0 327.925 3.221 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000370635223 457687927 /nfs/dbraw/zinc/68/79/27/457687927.db2.gz OHPIFCWUJOMBHF-RBBKRZOGSA-N 2 0 341.543 3.074 20 0 EGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(Cl)ccc43)C2)CC1 ZINC000370638709 457688608 /nfs/dbraw/zinc/68/86/08/457688608.db2.gz YRPCUBJARXVOTB-VQIMIIECSA-N 2 0 333.907 3.085 20 0 EGADRP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000361372947 457708951 /nfs/dbraw/zinc/70/89/51/457708951.db2.gz ARNPYFDYGXKVSI-FYSMJZIKSA-N 2 0 347.528 3.358 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000357889340 457725070 /nfs/dbraw/zinc/72/50/70/457725070.db2.gz ZMJAYHHGQXAVGJ-ZFWWWQNUSA-N 2 0 345.409 3.189 20 0 EGADRP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000361485483 457747410 /nfs/dbraw/zinc/74/74/10/457747410.db2.gz NXPGVAGQEYQPQW-SJLPKXTDSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccc(C)c([C@H](C)N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433138314 457764040 /nfs/dbraw/zinc/76/40/40/457764040.db2.gz XNJAJMJHAIKQRH-KRWDZBQOSA-N 2 0 331.504 3.026 20 0 EGADRP Cc1nccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358085701 457777839 /nfs/dbraw/zinc/77/78/39/457777839.db2.gz NUNRMYDDOSTYBM-MBOZVWFJSA-N 2 0 332.536 3.460 20 0 EGADRP Cc1c([C@@H](C)NC2CC[NH+](C(C)C)CC2)nnn1-c1ccccc1 ZINC000358091703 457779869 /nfs/dbraw/zinc/77/98/69/457779869.db2.gz VIRDFOOVTWUOTH-OAHLLOKOSA-N 2 0 327.476 3.099 20 0 EGADRP Cc1c([C@H](C)NC2CC[NH+](C(C)C)CC2)nnn1-c1ccccc1 ZINC000358091702 457780856 /nfs/dbraw/zinc/78/08/56/457780856.db2.gz VIRDFOOVTWUOTH-HNNXBMFYSA-N 2 0 327.476 3.099 20 0 EGADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443607086 457786252 /nfs/dbraw/zinc/78/62/52/457786252.db2.gz SLVKOWJWTOTNMF-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457739991 457813191 /nfs/dbraw/zinc/81/31/91/457813191.db2.gz OVAPVGDVJNSRAS-KRWDZBQOSA-N 2 0 340.556 3.061 20 0 EGADRP C[NH+](C)CC[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000433349500 457817021 /nfs/dbraw/zinc/81/70/21/457817021.db2.gz CLHXFNAKPPRFCZ-QZTJIDSGSA-N 2 0 333.520 3.162 20 0 EGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358155849 457822143 /nfs/dbraw/zinc/82/21/43/457822143.db2.gz PEPMHAWFWRXNBO-NFAWXSAZSA-N 2 0 336.430 3.292 20 0 EGADRP CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411223553 457834386 /nfs/dbraw/zinc/83/43/86/457834386.db2.gz OQKIJUDBXHLDQT-FQEVSTJZSA-N 2 0 343.515 3.163 20 0 EGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000361828743 457890075 /nfs/dbraw/zinc/89/00/75/457890075.db2.gz GTDCESOZUSDIQJ-LJQANCHMSA-N 2 0 338.499 3.344 20 0 EGADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411623758 457931814 /nfs/dbraw/zinc/93/18/14/457931814.db2.gz ZVZDCVSTLCLEOL-PKOBYXMFSA-N 2 0 337.552 3.170 20 0 EGADRP Cc1cc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000458194276 457964512 /nfs/dbraw/zinc/96/45/12/457964512.db2.gz JYRLUPYXMQCORL-IXDOHACOSA-N 2 0 347.503 3.135 20 0 EGADRP C[C@@H]1C[N@H+](CCCN[C@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599169 457965643 /nfs/dbraw/zinc/96/56/43/457965643.db2.gz UKKIUDMPYZEFCN-AEFFLSMTSA-N 2 0 334.508 3.122 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411737979 457966700 /nfs/dbraw/zinc/96/67/00/457966700.db2.gz RQPAPWOFUHXAGY-LJQANCHMSA-N 2 0 343.515 3.134 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)C)[C@@H](C)C1 ZINC000358395806 457977577 /nfs/dbraw/zinc/97/75/77/457977577.db2.gz INQJMYWCDGNCAF-MUGJNUQGSA-N 2 0 340.552 3.164 20 0 EGADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000368366838 458031669 /nfs/dbraw/zinc/03/16/69/458031669.db2.gz IREZRCNBVUXOLC-LJQANCHMSA-N 2 0 344.499 3.174 20 0 EGADRP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503864 458042743 /nfs/dbraw/zinc/04/27/43/458042743.db2.gz HDUZJLQHPVDJNI-HKUYNNGSSA-N 2 0 343.515 3.108 20 0 EGADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000434783161 458050539 /nfs/dbraw/zinc/05/05/39/458050539.db2.gz KLMZCDIEDDUWKM-WBVHZDCISA-N 2 0 337.552 3.027 20 0 EGADRP O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]2C1 ZINC000412044934 458064005 /nfs/dbraw/zinc/06/40/05/458064005.db2.gz MFUCXVMBKAKNHT-PCCBWWKXSA-N 2 0 328.500 3.265 20 0 EGADRP Cc1cnc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000428221678 458100912 /nfs/dbraw/zinc/10/09/12/458100912.db2.gz LFLDJMGVAKFGCG-BZSNNMDCSA-N 2 0 346.519 3.057 20 0 EGADRP CCOc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435370956 458122041 /nfs/dbraw/zinc/12/20/41/458122041.db2.gz KNDBFERUFSOWFR-OCCSQVGLSA-N 2 0 346.393 3.196 20 0 EGADRP CCCc1nc(C)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000428346677 458124370 /nfs/dbraw/zinc/12/43/70/458124370.db2.gz GFIVRSUINPEZOP-UHFFFAOYSA-N 2 0 349.519 3.260 20 0 EGADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000435388040 458131586 /nfs/dbraw/zinc/13/15/86/458131586.db2.gz DOOBRFDOGXHQAW-MRXNPFEDSA-N 2 0 336.439 3.221 20 0 EGADRP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC000435385760 458132475 /nfs/dbraw/zinc/13/24/75/458132475.db2.gz UALJETOKOUIWSH-INIZCTEOSA-N 2 0 342.439 3.277 20 0 EGADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000358655819 458132614 /nfs/dbraw/zinc/13/26/14/458132614.db2.gz BQERVUVPBLZBBA-IRXDYDNUSA-N 2 0 348.535 3.144 20 0 EGADRP C[NH2+]CC1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000435388138 458132640 /nfs/dbraw/zinc/13/26/40/458132640.db2.gz DCHMVWVANKSBIK-UHFFFAOYSA-N 2 0 348.441 3.199 20 0 EGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC[NH2+]CC1 ZINC000435389672 458133489 /nfs/dbraw/zinc/13/34/89/458133489.db2.gz NXEAPLHFVAALFN-UHFFFAOYSA-N 2 0 326.488 3.024 20 0 EGADRP Cc1nccn1CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000369305821 458166060 /nfs/dbraw/zinc/16/60/60/458166060.db2.gz MRTDQGGHQVDTPV-OYRHEFFESA-N 2 0 338.499 3.036 20 0 EGADRP C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065976 458181436 /nfs/dbraw/zinc/18/14/36/458181436.db2.gz UVPXFTXQPBQDPU-BJJXKVORSA-N 2 0 344.377 3.099 20 0 EGADRP CCn1ccnc1C[N@H+](CCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697813 458186426 /nfs/dbraw/zinc/18/64/26/458186426.db2.gz ZISWMUUBASQLQN-LJQANCHMSA-N 2 0 338.499 3.090 20 0 EGADRP CC[N@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1)CC(C)C ZINC000358746740 458188655 /nfs/dbraw/zinc/18/86/55/458188655.db2.gz QSGQSIQBOLCGJD-HXUWFJFHSA-N 2 0 345.531 3.293 20 0 EGADRP CC1(C)CN(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205860 458232004 /nfs/dbraw/zinc/23/20/04/458232004.db2.gz XVIIVUKBDJTASW-OALUTQOASA-N 2 0 349.563 3.017 20 0 EGADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CN(Cc2ccccc2)C1 ZINC000446890853 458242540 /nfs/dbraw/zinc/24/25/40/458242540.db2.gz QDHBJGMNPGAUBP-GHTZIAJQSA-N 2 0 341.543 3.361 20 0 EGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362589309 458286576 /nfs/dbraw/zinc/28/65/76/458286576.db2.gz NCYJGHAHJCGBRW-ZFWWWQNUSA-N 2 0 329.366 3.010 20 0 EGADRP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372359294 458289034 /nfs/dbraw/zinc/28/90/34/458289034.db2.gz UQFHIFVMPFXRMR-BVYCBKJFSA-N 2 0 338.495 3.090 20 0 EGADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469522 458309337 /nfs/dbraw/zinc/30/93/37/458309337.db2.gz RZGRJFQIAUEARU-YLJYHZDGSA-N 2 0 327.516 3.286 20 0 EGADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCOCC[NH+](C)C)cc1F ZINC000447601471 458320137 /nfs/dbraw/zinc/32/01/37/458320137.db2.gz PIGZUQIAAGQYHN-AEFFLSMTSA-N 2 0 338.467 3.028 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429692755 458358898 /nfs/dbraw/zinc/35/88/98/458358898.db2.gz WCJUBDYVBPFWQC-MRXNPFEDSA-N 2 0 327.472 3.413 20 0 EGADRP Cc1cc(F)c(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(Cl)c1 ZINC000459412780 458362019 /nfs/dbraw/zinc/36/20/19/458362019.db2.gz RVLIJZOUFYLMFB-UHFFFAOYSA-N 2 0 341.902 3.151 20 0 EGADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Oc1ccc(F)cc1 ZINC000459416799 458363922 /nfs/dbraw/zinc/36/39/22/458363922.db2.gz CYGSDQXNIYWLCQ-HNNXBMFYSA-N 2 0 329.419 3.247 20 0 EGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1 ZINC000448021993 458380031 /nfs/dbraw/zinc/38/00/31/458380031.db2.gz LXEQOZZERPELNX-CRAIPNDOSA-N 2 0 347.503 3.122 20 0 EGADRP C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000448033644 458382993 /nfs/dbraw/zinc/38/29/93/458382993.db2.gz YTIVWAWPAZKTMX-FXAWDEMLSA-N 2 0 347.547 3.398 20 0 EGADRP c1cc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc[nH+]1 ZINC000459546394 458406628 /nfs/dbraw/zinc/40/66/28/458406628.db2.gz UWUHQWKSODBMTG-OAQYLSRUSA-N 3 0 342.531 3.437 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000373207019 458430256 /nfs/dbraw/zinc/43/02/56/458430256.db2.gz CATXFAQCSSTVOP-CTNGQTDRSA-N 2 0 329.532 3.281 20 0 EGADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423429020 458431564 /nfs/dbraw/zinc/43/15/64/458431564.db2.gz JVMFNEJZTISAJW-VXGBXAGGSA-N 2 0 346.256 3.459 20 0 EGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H](C)C1 ZINC000423435924 458432700 /nfs/dbraw/zinc/43/27/00/458432700.db2.gz DYCZMMMFWQUPBD-FXAWDEMLSA-N 2 0 345.531 3.271 20 0 EGADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423438778 458434038 /nfs/dbraw/zinc/43/40/38/458434038.db2.gz NFSARMJWZBOUGI-DILOTOHQSA-N 2 0 332.463 3.271 20 0 EGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423444841 458434840 /nfs/dbraw/zinc/43/48/40/458434840.db2.gz RGYZDRNCMAIUNN-MDASCCDHSA-N 2 0 344.503 3.255 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1I ZINC000423446779 458435104 /nfs/dbraw/zinc/43/51/04/458435104.db2.gz ZBVXWZQMCAAALL-NWDGAFQWSA-N 2 0 346.256 3.459 20 0 EGADRP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H]2CCCO[C@H]21 ZINC000423469786 458437210 /nfs/dbraw/zinc/43/72/10/458437210.db2.gz KOSSJWPAWRVDAN-ABHMUUKNSA-N 2 0 346.490 3.312 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423477756 458438489 /nfs/dbraw/zinc/43/84/89/458438489.db2.gz KISFRUBFNXRSMD-LRSLUSHPSA-N 3 0 341.543 3.409 20 0 EGADRP Cc1c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)nnn1-c1ccc(Cl)cc1 ZINC000423480048 458439158 /nfs/dbraw/zinc/43/91/58/458439158.db2.gz MRSKMHLBIIZBRX-BBRMVZONSA-N 2 0 347.894 3.412 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423493625 458443350 /nfs/dbraw/zinc/44/33/50/458443350.db2.gz QKSPLDSPHAHYOE-DJIMGWMZSA-N 2 0 342.405 3.310 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423493629 458443786 /nfs/dbraw/zinc/44/37/86/458443786.db2.gz QKSPLDSPHAHYOE-OIISXLGYSA-N 2 0 342.405 3.310 20 0 EGADRP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]C[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000423493627 458443881 /nfs/dbraw/zinc/44/38/81/458443881.db2.gz QKSPLDSPHAHYOE-HYVNUMGLSA-N 2 0 342.405 3.310 20 0 EGADRP Clc1ccccc1C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423537457 458455041 /nfs/dbraw/zinc/45/50/41/458455041.db2.gz JZBSQIIUVVGBRY-RTBURBONSA-N 2 0 334.891 3.330 20 0 EGADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1Br ZINC000423555224 458456804 /nfs/dbraw/zinc/45/68/04/458456804.db2.gz LZRUZEOQJCBTDT-LBPRGKRZSA-N 2 0 339.277 3.418 20 0 EGADRP NC1(C[NH2+][C@H]2CCC23CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423548205 458456368 /nfs/dbraw/zinc/45/63/68/458456368.db2.gz DUHKPVPNMXLHNT-IBGZPJMESA-N 2 0 327.516 3.292 20 0 EGADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)nc1 ZINC000423545214 458456465 /nfs/dbraw/zinc/45/64/65/458456465.db2.gz OZBCJLNSWLFNFD-QQTQMKHKSA-N 2 0 325.431 3.288 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000459721724 458456880 /nfs/dbraw/zinc/45/68/80/458456880.db2.gz ARHLJVURHWAJLL-QUCCMNQESA-N 2 0 332.488 3.066 20 0 EGADRP CCOc1c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)nn1CC(C)C ZINC000459722411 458456889 /nfs/dbraw/zinc/45/68/89/458456889.db2.gz BHEULKNMBRWKQZ-KRWDZBQOSA-N 2 0 336.524 3.068 20 0 EGADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000459724452 458458302 /nfs/dbraw/zinc/45/83/02/458458302.db2.gz DSDBFPHQRKSLCJ-CYBMUJFWSA-N 2 0 328.403 3.118 20 0 EGADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000430551908 458459442 /nfs/dbraw/zinc/45/94/42/458459442.db2.gz QTYQWHUZOMFLAF-UHFFFAOYSA-N 2 0 339.483 3.490 20 0 EGADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000430571090 458463851 /nfs/dbraw/zinc/46/38/51/458463851.db2.gz LDVOZMYSWTUKNC-GDBMZVCRSA-N 2 0 346.450 3.176 20 0 EGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430578786 458465811 /nfs/dbraw/zinc/46/58/11/458465811.db2.gz XPJMDYKHHPWLHS-LPHOPBHVSA-N 2 0 325.456 3.220 20 0 EGADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430585455 458466730 /nfs/dbraw/zinc/46/67/30/458466730.db2.gz SKDJNPYLEKBEOK-YNEHKIRRSA-N 2 0 343.393 3.092 20 0 EGADRP C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586066 458466880 /nfs/dbraw/zinc/46/68/80/458466880.db2.gz XXDKBEZKEUTCJZ-XYJFISCASA-N 2 0 339.483 3.076 20 0 EGADRP C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616811 458471570 /nfs/dbraw/zinc/47/15/70/458471570.db2.gz HZIRCWHZFIVESH-VQIMIIECSA-N 2 0 329.488 3.014 20 0 EGADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000430618791 458471953 /nfs/dbraw/zinc/47/19/53/458471953.db2.gz WYPHJOVHIRBMKE-DOMZBBRYSA-N 2 0 343.393 3.236 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000459794422 458481262 /nfs/dbraw/zinc/48/12/62/458481262.db2.gz USLYSHWBPVCIJU-OAHLLOKOSA-N 2 0 337.458 3.255 20 0 EGADRP COc1ccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)cc1 ZINC000430920103 458504809 /nfs/dbraw/zinc/50/48/09/458504809.db2.gz NSESQJAVQXFYPM-UHFFFAOYSA-N 2 0 343.496 3.394 20 0 EGADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000430925922 458506004 /nfs/dbraw/zinc/50/60/04/458506004.db2.gz MFXQUPYSESMJKN-GUYCJALGSA-N 2 0 337.533 3.011 20 0 EGADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430936432 458507888 /nfs/dbraw/zinc/50/78/88/458507888.db2.gz YLXUBAMFHPHUOV-MRXNPFEDSA-N 2 0 339.439 3.088 20 0 EGADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1CCCCCC1)c1ccccc1 ZINC000460385655 458515540 /nfs/dbraw/zinc/51/55/40/458515540.db2.gz GPTDRMRKWAAIHM-LJQANCHMSA-N 2 0 331.504 3.060 20 0 EGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])C2)CC1 ZINC000431052444 458521918 /nfs/dbraw/zinc/52/19/18/458521918.db2.gz XIADDBNOCCNSSI-SLFFLAALSA-N 2 0 349.563 3.255 20 0 EGADRP CC(C)[NH+]1CCC(N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424131214 458566845 /nfs/dbraw/zinc/56/68/45/458566845.db2.gz INMBMGJLOJSTPT-SFHVURJKSA-N 2 0 337.552 3.396 20 0 EGADRP COC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000493800018 458571395 /nfs/dbraw/zinc/57/13/95/458571395.db2.gz XKWIJIDXTGQJNJ-DAYGRLMNSA-N 2 0 340.895 3.116 20 0 EGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424169784 458576529 /nfs/dbraw/zinc/57/65/29/458576529.db2.gz HJFUHNIKMKWFHW-GUDVDZBRSA-N 2 0 335.536 3.007 20 0 EGADRP CC1CC[NH+](CCN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000493868717 458592291 /nfs/dbraw/zinc/59/22/91/458592291.db2.gz AAKAFMZJWMHWLA-HXUWFJFHSA-N 2 0 329.532 3.315 20 0 EGADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(OC[C@H]3CCCO3)cc1)CC[NH2+]CC2 ZINC000424282678 458603041 /nfs/dbraw/zinc/60/30/41/458603041.db2.gz AACXMPUKEQNHTF-YLJYHZDGSA-N 2 0 344.499 3.208 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ncc(-c3ccccc3F)o1)CC[NH2+]CC2 ZINC000424287430 458603457 /nfs/dbraw/zinc/60/34/57/458603457.db2.gz ITQPHMQZNPSZSP-AWEZNQCLSA-N 2 0 329.419 3.445 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1csc(Nc3ccccc3)n1)CC[NH2+]CC2 ZINC000424285135 458603579 /nfs/dbraw/zinc/60/35/79/458603579.db2.gz FFCUPHZPGBBQQJ-HNNXBMFYSA-N 2 0 342.512 3.273 20 0 EGADRP FC(F)c1cccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424285153 458604018 /nfs/dbraw/zinc/60/40/18/458604018.db2.gz FHXRQTRUUHNCAT-UHFFFAOYSA-N 2 0 332.398 3.261 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(Br)s1)CC[NH2+]CC2 ZINC000424302000 458611084 /nfs/dbraw/zinc/61/10/84/458611084.db2.gz YQQINUZLGBVGTA-NSHDSACASA-N 2 0 329.307 3.475 20 0 EGADRP Cc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(-c2ccnn2C)c1 ZINC000424371287 458627287 /nfs/dbraw/zinc/62/72/87/458627287.db2.gz DKVMEMXBBDSTEZ-KRWDZBQOSA-N 2 0 338.499 3.360 20 0 EGADRP Cc1cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)ccc1Cl ZINC000424374210 458627667 /nfs/dbraw/zinc/62/76/67/458627667.db2.gz HUAXBUULXAWEHW-UHFFFAOYSA-N 2 0 330.863 3.285 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1c[nH]nc1-c1ccccc1F)CC[NH2+]CC2 ZINC000424383266 458629757 /nfs/dbraw/zinc/62/97/57/458629757.db2.gz TVQIYJCFWBABIQ-AWEZNQCLSA-N 2 0 328.435 3.180 20 0 EGADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424387615 458631488 /nfs/dbraw/zinc/63/14/88/458631488.db2.gz YRGTVQVUIKFNDF-OAHLLOKOSA-N 2 0 340.471 3.049 20 0 EGADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000456347446 458638540 /nfs/dbraw/zinc/63/85/40/458638540.db2.gz JVMWABPVAZSEIU-LJQANCHMSA-N 2 0 331.504 3.085 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000424421565 458639373 /nfs/dbraw/zinc/63/93/73/458639373.db2.gz YMYJYVXOALLRKZ-UHFFFAOYSA-N 2 0 346.500 3.111 20 0 EGADRP COc1cc(NC(C)=O)ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000439000824 458640619 /nfs/dbraw/zinc/64/06/19/458640619.db2.gz XGDVDMSODFTUMV-WBVHZDCISA-N 2 0 347.503 3.425 20 0 EGADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000424432123 458643331 /nfs/dbraw/zinc/64/33/31/458643331.db2.gz BKDJWVRWYGMAHJ-CALCHBBNSA-N 2 0 346.519 3.333 20 0 EGADRP CC(C)c1cc(NCCCC[N@@H+]2CCCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000462791825 458654937 /nfs/dbraw/zinc/65/49/37/458654937.db2.gz RYAFBTMXGROGFZ-MRXNPFEDSA-N 2 0 333.524 3.154 20 0 EGADRP Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000462826584 458659929 /nfs/dbraw/zinc/65/99/29/458659929.db2.gz QIQKBXZLEXUFSF-CABCVRRESA-N 2 0 347.890 3.396 20 0 EGADRP Cc1cc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)n[nH]1 ZINC000439145707 458662089 /nfs/dbraw/zinc/66/20/89/458662089.db2.gz ZXKMNSVXPOOENJ-UHFFFAOYSA-N 2 0 345.535 3.074 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503865973 458726337 /nfs/dbraw/zinc/72/63/37/458726337.db2.gz YGJWBRBGVANDTI-SXLOBPIMSA-N 2 0 345.531 3.180 20 0 EGADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000471780049 458729306 /nfs/dbraw/zinc/72/93/06/458729306.db2.gz KJOQINBWKUOMFA-SLFFLAALSA-N 2 0 330.516 3.428 20 0 EGADRP CC(C)[NH+](CCN(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C ZINC000504007787 458735438 /nfs/dbraw/zinc/73/54/38/458735438.db2.gz OPIUUCXTVKUYJX-UHFFFAOYSA-N 2 0 340.556 3.056 20 0 EGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000439956517 458770416 /nfs/dbraw/zinc/77/04/16/458770416.db2.gz MIFMPPWQXTTWDM-FXAWDEMLSA-N 2 0 343.515 3.030 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547736436 458781517 /nfs/dbraw/zinc/78/15/17/458781517.db2.gz TTXPKCUMLPMGQG-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)([NH+](C)C)C1 ZINC000440114706 458782530 /nfs/dbraw/zinc/78/25/30/458782530.db2.gz YYLNYLYZCVBXIY-IMFGXOCKSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([N@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432800873 458790421 /nfs/dbraw/zinc/79/04/21/458790421.db2.gz RNTJHQASIDIRFY-FXAWDEMLSA-N 2 0 349.563 3.268 20 0 EGADRP Cc1cccc(C)c1OCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441271432 458907857 /nfs/dbraw/zinc/90/78/57/458907857.db2.gz XYYAOJIVRPMKLX-HSALFYBXSA-N 2 0 346.515 3.256 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1Cl ZINC000556084192 458926482 /nfs/dbraw/zinc/92/64/82/458926482.db2.gz AASTZRSZMOAPLL-INIZCTEOSA-N 2 0 338.879 3.035 20 0 EGADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495711238 458927559 /nfs/dbraw/zinc/92/75/59/458927559.db2.gz JFEZPZQCYBDEGN-SJORKVTESA-N 2 0 339.524 3.050 20 0 EGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000476202402 458984872 /nfs/dbraw/zinc/98/48/72/458984872.db2.gz ZEGFEECFKXMMEI-MRXNPFEDSA-N 2 0 325.541 3.124 20 0 EGADRP Clc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000531968934 459009317 /nfs/dbraw/zinc/00/93/17/459009317.db2.gz JKYMNAJBXBUYMT-KUHUBIRLSA-N 2 0 334.891 3.418 20 0 EGADRP COc1ccccc1C[N@H+](CCCc1cncn1C)C[C@H]1CCCO1 ZINC000566863389 459012525 /nfs/dbraw/zinc/01/25/25/459012525.db2.gz VVDWXYBDLRBUIP-LJQANCHMSA-N 2 0 343.471 3.043 20 0 EGADRP OC1CC(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556876604 459025656 /nfs/dbraw/zinc/02/56/56/459025656.db2.gz CTYNAVUBSYGLLS-DHCGTZGXSA-N 2 0 342.527 3.428 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000532166931 459041008 /nfs/dbraw/zinc/04/10/08/459041008.db2.gz XSCLOLQPNMVUCV-AZUAARDMSA-N 2 0 338.536 3.159 20 0 EGADRP Cc1ccc(C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000442872192 459048357 /nfs/dbraw/zinc/04/83/57/459048357.db2.gz HOIATZACVLXFAC-HXUWFJFHSA-N 2 0 331.548 3.178 20 0 EGADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879971 459049686 /nfs/dbraw/zinc/04/96/86/459049686.db2.gz XOCCTGQZSMTHRZ-SFHVURJKSA-N 2 0 331.548 3.358 20 0 EGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000442921045 459061925 /nfs/dbraw/zinc/06/19/25/459061925.db2.gz MLEAKBISJIGVFY-KRWDZBQOSA-N 2 0 325.456 3.221 20 0 EGADRP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000520542571 459069975 /nfs/dbraw/zinc/06/99/75/459069975.db2.gz SMLCYKRQUVZMNI-NRFANRHFSA-N 2 0 348.506 3.317 20 0 EGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C1 ZINC000520762765 459092807 /nfs/dbraw/zinc/09/28/07/459092807.db2.gz QHVUFUHZINXLFY-RDJZCZTQSA-N 2 0 335.517 3.129 20 0 EGADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000590182597 459099626 /nfs/dbraw/zinc/09/96/26/459099626.db2.gz MLSANKQIKLWKQA-VQIMIIECSA-N 2 0 336.520 3.353 20 0 EGADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000496272581 459131179 /nfs/dbraw/zinc/13/11/79/459131179.db2.gz HOOWNCLQIOHQJH-QBPKDAKJSA-N 2 0 341.540 3.388 20 0 EGADRP COc1ncc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000532778061 459142560 /nfs/dbraw/zinc/14/25/60/459142560.db2.gz JPNNQXFSSAHQFY-RHSMWYFYSA-N 2 0 335.879 3.192 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c1 ZINC000578126643 459149619 /nfs/dbraw/zinc/14/96/19/459149619.db2.gz MTYASSCCLCJFJM-JXFKEZNVSA-N 2 0 337.467 3.189 20 0 EGADRP C[C@H]([NH2+][C@H]1CCC12CCOCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558619475 459181250 /nfs/dbraw/zinc/18/12/50/459181250.db2.gz UEDHGZYBGDTDQV-IHPCNDPISA-N 2 0 328.500 3.446 20 0 EGADRP FC(F)Oc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000578321760 459181349 /nfs/dbraw/zinc/18/13/49/459181349.db2.gz CPEXQNKBNKYELZ-UHFFFAOYSA-N 2 0 347.409 3.484 20 0 EGADRP COC1(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CCCCC1 ZINC000480357283 459195920 /nfs/dbraw/zinc/19/59/20/459195920.db2.gz QICXVTGBIMKPEP-UHFFFAOYSA-N 2 0 334.504 3.108 20 0 EGADRP CCOc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000567990664 459204052 /nfs/dbraw/zinc/20/40/52/459204052.db2.gz UYBMBJSYXMHWBR-JKSUJKDBSA-N 2 0 343.496 3.250 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000558800571 459213060 /nfs/dbraw/zinc/21/30/60/459213060.db2.gz VLDRXWBOOIYDGX-CQSZACIVSA-N 2 0 329.488 3.299 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000590787314 459218622 /nfs/dbraw/zinc/21/86/22/459218622.db2.gz ZLOQTWFBDRIZKQ-SFHVURJKSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000590787113 459219038 /nfs/dbraw/zinc/21/90/38/459219038.db2.gz SEZUPMAQAMFZOR-HNNXBMFYSA-N 2 0 335.467 3.205 20 0 EGADRP CCC[N@H+](CCCc1cncn1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000578545410 459219778 /nfs/dbraw/zinc/21/97/78/459219778.db2.gz PUOVZQGMUAPFRX-KRWDZBQOSA-N 2 0 342.487 3.482 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000480906220 459223770 /nfs/dbraw/zinc/22/37/70/459223770.db2.gz XRDGBWARDGBGHB-MOPGFXCFSA-N 3 0 347.547 3.400 20 0 EGADRP CC(C)(C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C[NH+]1CCCC1 ZINC000480919077 459224069 /nfs/dbraw/zinc/22/40/69/459224069.db2.gz DQHXZJHBRRIHBC-HXUWFJFHSA-N 2 0 346.515 3.456 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC(C)CC1)Cc1ccccc1 ZINC000522240246 459229905 /nfs/dbraw/zinc/22/99/05/459229905.db2.gz RIVILFCKPKDCQC-IBGZPJMESA-N 2 0 330.520 3.196 20 0 EGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([S@@](C)=O)C3)CC2)C1 ZINC000595073790 459237108 /nfs/dbraw/zinc/23/71/08/459237108.db2.gz VPEFUJBWGQCVIP-ORFIRHPKSA-N 2 0 340.577 3.309 20 0 EGADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496568364 459242600 /nfs/dbraw/zinc/24/26/00/459242600.db2.gz GVEUGIUMYPJJNJ-WCXIOVBPSA-N 2 0 339.524 3.094 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000481315817 459244806 /nfs/dbraw/zinc/24/48/06/459244806.db2.gz RRUPPMJKTJJOHC-KXBFYZLASA-N 2 0 340.458 3.234 20 0 EGADRP c1nc2ccccc2n1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000481402938 459252715 /nfs/dbraw/zinc/25/27/15/459252715.db2.gz QZCFRCCLVBTVDA-UHFFFAOYSA-N 2 0 326.488 3.423 20 0 EGADRP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533865795 459274191 /nfs/dbraw/zinc/27/41/91/459274191.db2.gz AZRQEOBNONMLDK-NVXWUHKLSA-N 2 0 348.450 3.390 20 0 EGADRP CC(C)c1nnc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000559790522 459277538 /nfs/dbraw/zinc/27/75/38/459277538.db2.gz YBTBYSPCACTGGY-USXIJHARSA-N 2 0 327.476 3.414 20 0 EGADRP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000582117300 459310627 /nfs/dbraw/zinc/31/06/27/459310627.db2.gz LCULNXAZGULDJE-UYAOXDASSA-N 2 0 348.531 3.145 20 0 EGADRP Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000582122820 459312791 /nfs/dbraw/zinc/31/27/91/459312791.db2.gz DGQLIMHENSYWBC-JKSUJKDBSA-N 2 0 329.419 3.302 20 0 EGADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000524156193 459349374 /nfs/dbraw/zinc/34/93/74/459349374.db2.gz SZBQEBXGHYXJQG-AOIWGVFYSA-N 2 0 337.552 3.122 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1nc(-c2ccccc2)no1 ZINC000582354374 459352425 /nfs/dbraw/zinc/35/24/25/459352425.db2.gz ARPFOJBODVWUCM-VDHUWJSZSA-N 2 0 340.471 3.350 20 0 EGADRP Cc1cccc(C)c1OCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000496932674 459376687 /nfs/dbraw/zinc/37/66/87/459376687.db2.gz AAYPADAWFYKCQS-UHFFFAOYSA-N 2 0 346.515 3.117 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000484142924 459406996 /nfs/dbraw/zinc/40/69/96/459406996.db2.gz JIDWTSPNAIECNM-ICSRJNTNSA-N 2 0 348.531 3.273 20 0 EGADRP C[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[NH2+]C1 ZINC000560943318 459408141 /nfs/dbraw/zinc/40/81/41/459408141.db2.gz SBMNAMWMPKLFON-OCCSQVGLSA-N 2 0 345.468 3.017 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)CCCC(C)C)C[C@H]1C ZINC000484907116 459434905 /nfs/dbraw/zinc/43/49/05/459434905.db2.gz IVEBORUPYDAFHO-KURKYZTESA-N 2 0 325.541 3.122 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497121155 459448260 /nfs/dbraw/zinc/44/82/60/459448260.db2.gz WJMDGWMZICUPKC-GVDBMIGSSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000561476025 459456289 /nfs/dbraw/zinc/45/62/89/459456289.db2.gz HRRPDYZNGUMGDJ-QIJZPMMNSA-N 2 0 329.532 3.184 20 0 EGADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000583013435 459467751 /nfs/dbraw/zinc/46/77/51/459467751.db2.gz ZYEJKAIBWQDGHE-NVXWUHKLSA-N 2 0 344.503 3.181 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000569592376 459477510 /nfs/dbraw/zinc/47/75/10/459477510.db2.gz IXRSPLCEEADWCI-HLLBOEOZSA-N 3 0 330.520 3.152 20 0 EGADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)C(C)(C)C ZINC000569686449 459493869 /nfs/dbraw/zinc/49/38/69/459493869.db2.gz HXFMOVIYGQZIEC-NVXWUHKLSA-N 2 0 342.911 3.036 20 0 EGADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497238480 459498212 /nfs/dbraw/zinc/49/82/12/459498212.db2.gz YJQIKPRTLJGXKM-YESZJQIVSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000569744229 459503056 /nfs/dbraw/zinc/50/30/56/459503056.db2.gz LMQQCMXNZFWJAB-BNOWGMLFSA-N 2 0 327.266 3.076 20 0 EGADRP C[N@H+](Cc1ccccc1CNC(=O)CC[NH2+]C1CC1)C1CCCCC1 ZINC000583214489 459504024 /nfs/dbraw/zinc/50/40/24/459504024.db2.gz VPVRNAXUQWDVKC-UHFFFAOYSA-N 2 0 343.515 3.209 20 0 EGADRP O[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000562061015 459508222 /nfs/dbraw/zinc/50/82/22/459508222.db2.gz DESXQROPHUZUAA-BHDDXSALSA-N 2 0 342.527 3.382 20 0 EGADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000498347262 459582839 /nfs/dbraw/zinc/58/28/39/459582839.db2.gz WNEYIZULINFRSK-PXNSSMCTSA-N 2 0 345.531 3.495 20 0 EGADRP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000592437155 459600201 /nfs/dbraw/zinc/60/02/01/459600201.db2.gz ASGBNZDPBVPIFC-HCXYKTFWSA-N 2 0 330.472 3.047 20 0 EGADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000592450477 459601910 /nfs/dbraw/zinc/60/19/10/459601910.db2.gz CPWHGMOKECBFNU-QZTJIDSGSA-N 2 0 345.531 3.123 20 0 EGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(F)F)cc3)cn2)CC1 ZINC000527222460 459611162 /nfs/dbraw/zinc/61/11/62/459611162.db2.gz WPNLHWJZFQYILT-UHFFFAOYSA-N 2 0 346.425 3.061 20 0 EGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000527348789 459632920 /nfs/dbraw/zinc/63/29/20/459632920.db2.gz WOTMEIBTUZVDRN-LEWJYISDSA-N 2 0 329.532 3.015 20 0 EGADRP CCCOc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000562751922 459640211 /nfs/dbraw/zinc/64/02/11/459640211.db2.gz XZMMLVUJPDZIIX-UYAOXDASSA-N 2 0 332.488 3.194 20 0 EGADRP COc1ccc(-c2nc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000562837650 459657562 /nfs/dbraw/zinc/65/75/62/459657562.db2.gz ULNQRYADGPVNAL-QFBILLFUSA-N 2 0 341.455 3.314 20 0 EGADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000584111570 459658406 /nfs/dbraw/zinc/65/84/06/459658406.db2.gz KKTKTBIWBBUVJJ-OAQYLSRUSA-N 2 0 349.478 3.150 20 0 EGADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)CC[NH2+]1 ZINC000527617432 459670736 /nfs/dbraw/zinc/67/07/36/459670736.db2.gz KZUYDPAZDUTRQX-RYUDHWBXSA-N 2 0 341.268 3.334 20 0 EGADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000500490804 459680982 /nfs/dbraw/zinc/68/09/82/459680982.db2.gz LWPJGPVCWQRSER-GOSISDBHSA-N 2 0 325.541 3.027 20 0 EGADRP COc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000527672231 459694205 /nfs/dbraw/zinc/69/42/05/459694205.db2.gz FDFKSAXAHDWOQV-MEDUHNTESA-N 2 0 328.378 3.286 20 0 EGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527674935 459695740 /nfs/dbraw/zinc/69/57/40/459695740.db2.gz MWTBOBHLOOQAOJ-VQTJNVASSA-N 2 0 327.472 3.025 20 0 EGADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000501388154 459725089 /nfs/dbraw/zinc/72/50/89/459725089.db2.gz QPIHCRFWPALZJW-UHFFFAOYSA-N 2 0 342.483 3.488 20 0 EGADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccn2ccnc2c1 ZINC000584440010 459737261 /nfs/dbraw/zinc/73/72/61/459737261.db2.gz XXYJLCYIXKFYHM-GOSISDBHSA-N 2 0 349.438 3.120 20 0 EGADRP Cc1ccc(C[NH+]2CC[C@@H](CN(C)CC[C@H]3CCC[N@@H+]3C)C2)s1 ZINC000563214698 459740259 /nfs/dbraw/zinc/74/02/59/459740259.db2.gz CVRKRXICARLHIW-ZWKOTPCHSA-N 2 0 335.561 3.295 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000584463646 459744055 /nfs/dbraw/zinc/74/40/55/459744055.db2.gz XMWVAZFTXAMBOC-HNNXBMFYSA-N 2 0 341.902 3.027 20 0 EGADRP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1C ZINC000574100424 459779757 /nfs/dbraw/zinc/77/97/57/459779757.db2.gz YUULTVJXWWRACD-MRXNPFEDSA-N 2 0 326.488 3.393 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCc1cncn1C ZINC000584789318 459803428 /nfs/dbraw/zinc/80/34/28/459803428.db2.gz XJLCKRDIEKVYLD-WGMWDUQUSA-N 2 0 340.515 3.099 20 0 EGADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(Oc3cnccn3)cc1)CC[NH2+]CC2 ZINC000574311381 459804760 /nfs/dbraw/zinc/80/47/60/459804760.db2.gz UWTQSYUELVXLTC-INIZCTEOSA-N 2 0 338.455 3.233 20 0 EGADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000566107864 459805876 /nfs/dbraw/zinc/80/58/76/459805876.db2.gz BIUANDSIMDTJJX-PMACEKPBSA-N 2 0 348.531 3.062 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000566112104 459807386 /nfs/dbraw/zinc/80/73/86/459807386.db2.gz JYQSLMGCCVOZKV-XUVXKRRUSA-N 2 0 342.483 3.042 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccco1 ZINC000545309879 459823327 /nfs/dbraw/zinc/82/33/27/459823327.db2.gz MXMYRSIUIHGNQY-GOSISDBHSA-N 2 0 349.519 3.433 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000618407849 460002685 /nfs/dbraw/zinc/00/26/85/460002685.db2.gz PFJXXIZSGZYFGJ-UHFFFAOYSA-N 2 0 349.519 3.314 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000589167021 460043863 /nfs/dbraw/zinc/04/38/63/460043863.db2.gz FVXYVLXHJILYLR-JXCVUKRWSA-N 2 0 349.469 3.078 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)c2ccccc21 ZINC000621750350 460047233 /nfs/dbraw/zinc/04/72/33/460047233.db2.gz NREWLZDSBCSHIP-VQIMIIECSA-N 2 0 329.488 3.196 20 0 EGADRP CC(=O)N1CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c2ccccc21 ZINC000621752654 460050121 /nfs/dbraw/zinc/05/01/21/460050121.db2.gz BVNDVQVRBIHUTK-MJGOQNOKSA-N 2 0 331.504 3.440 20 0 EGADRP CCn1cc(CC[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775542 460059861 /nfs/dbraw/zinc/05/98/61/460059861.db2.gz RFBYMTFPTSTPQN-LEWJYISDSA-N 2 0 340.515 3.118 20 0 EGADRP CSC1(C[NH2+]Cc2ncccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000589326011 460074684 /nfs/dbraw/zinc/07/46/84/460074684.db2.gz CKIJPARNZYZVQS-UHFFFAOYSA-N 2 0 333.423 3.017 20 0 EGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000576640056 460182557 /nfs/dbraw/zinc/18/25/57/460182557.db2.gz OXTMPDLECOGZQA-CRAIPNDOSA-N 2 0 349.544 3.102 20 0 EGADRP c1cc([C@@H]2OCC[C@H]2[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)n[nH]1 ZINC000625589786 460213637 /nfs/dbraw/zinc/21/36/37/460213637.db2.gz DWCVSNJLUKVNCW-UYAOXDASSA-N 2 0 340.471 3.015 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000599311325 460224536 /nfs/dbraw/zinc/22/45/36/460224536.db2.gz OHFDRLVAHJTEGP-YLJYHZDGSA-N 2 0 343.515 3.162 20 0 EGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000611276214 460327461 /nfs/dbraw/zinc/32/74/61/460327461.db2.gz FHWSRAVDKPWTOW-FQEVSTJZSA-N 2 0 327.516 3.164 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000615617656 460360408 /nfs/dbraw/zinc/36/04/08/460360408.db2.gz BKRXRNWBSBEGAZ-CTNGQTDRSA-N 2 0 343.515 3.014 20 0 EGADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000604390573 460417238 /nfs/dbraw/zinc/41/72/38/460417238.db2.gz YSQUPFCLMULYPB-SFHVURJKSA-N 2 0 347.506 3.468 20 0 EGADRP Cc1cc(C)c([C@@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000604389369 460418621 /nfs/dbraw/zinc/41/86/21/460418621.db2.gz ZKEDRZZDTZRQOV-WOJBJXKFSA-N 2 0 329.532 3.385 20 0 EGADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631600996 460467892 /nfs/dbraw/zinc/46/78/92/460467892.db2.gz VBSMDHZVAZUIFB-TTYHFUOFSA-N 2 0 341.499 3.154 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCOC(C)(C)C3)cc2)C[C@@H](C)O1 ZINC000634677866 460471595 /nfs/dbraw/zinc/47/15/95/460471595.db2.gz AUWDVAMCUMFOOA-MBOZVWFJSA-N 2 0 346.515 3.343 20 0 EGADRP CC(C)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1F ZINC000634678325 460471927 /nfs/dbraw/zinc/47/19/27/460471927.db2.gz PNPBXZJXXHIABC-IBGZPJMESA-N 2 0 339.474 3.278 20 0 EGADRP CC[C@@](C)(NCc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000606912914 460760222 /nfs/dbraw/zinc/76/02/22/460760222.db2.gz ORYKGBZVKJZXSI-GOSISDBHSA-N 2 0 333.501 3.499 20 0 EGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000623888704 460763894 /nfs/dbraw/zinc/76/38/94/460763894.db2.gz QMYFCYXDJKUFGH-STQMWFEESA-N 2 0 347.400 3.131 20 0 EGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623967865 460802173 /nfs/dbraw/zinc/80/21/73/460802173.db2.gz LHJQXTUKVAISLF-KRWDZBQOSA-N 2 0 335.879 3.367 20 0 EGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nccc3ccccc32)C[C@H](C)O1 ZINC000607167377 460804072 /nfs/dbraw/zinc/80/40/72/460804072.db2.gz MCGIEXURUKMVSG-CALCHBBNSA-N 2 0 327.472 3.214 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629547501 460804521 /nfs/dbraw/zinc/80/45/21/460804521.db2.gz UDAODSIZVNDVGD-XNRPHZJLSA-N 2 0 325.859 3.036 20 0 EGADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1c(Cl)cccc1Cl ZINC000629558122 460806825 /nfs/dbraw/zinc/80/68/25/460806825.db2.gz AVHFBNLPQQDZNC-QWHCGFSZSA-N 2 0 331.287 3.143 20 0 EGADRP COc1cccc(CCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629561889 460809303 /nfs/dbraw/zinc/80/93/03/460809303.db2.gz LDKWCYYYAMWCMM-ZBFHGGJFSA-N 2 0 330.394 3.087 20 0 EGADRP C[C@@H](CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000629567643 460813447 /nfs/dbraw/zinc/81/34/47/460813447.db2.gz ZILHDQIGTQKXIY-WMLDXEAASA-N 2 0 344.421 3.245 20 0 EGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000607281701 460820620 /nfs/dbraw/zinc/82/06/20/460820620.db2.gz YDEMDRRREZOROD-ULQDDVLXSA-N 2 0 331.504 3.105 20 0 EGADRP c1nc2c(s1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000624010712 460821426 /nfs/dbraw/zinc/82/14/26/460821426.db2.gz WDRAJMJUUGKILM-MRXNPFEDSA-N 2 0 335.517 3.001 20 0 EGADRP [NH3+]C1(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000629655088 460849426 /nfs/dbraw/zinc/84/94/26/460849426.db2.gz QVDXXFOHMWAIQA-UHFFFAOYSA-N 2 0 338.495 3.186 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCN2CC(F)F)CC1 ZINC000624095862 460858073 /nfs/dbraw/zinc/85/80/73/460858073.db2.gz NZJNUICKXREAEB-BPQIPLTHSA-N 2 0 343.506 3.349 20 0 EGADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCCN2CC(F)F)CC1 ZINC000624095863 460858575 /nfs/dbraw/zinc/85/85/75/460858575.db2.gz NZJNUICKXREAEB-KBAYOESNSA-N 2 0 343.506 3.349 20 0 EGADRP C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000624123544 460872985 /nfs/dbraw/zinc/87/29/85/460872985.db2.gz NWEWRPGQZUGOFD-CHWSQXEVSA-N 2 0 326.282 3.227 20 0 EGADRP C[NH+](C)Cc1ccc(F)c(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC000629737586 460899138 /nfs/dbraw/zinc/89/91/38/460899138.db2.gz VQTNZCWNGRMHBS-UHFFFAOYSA-N 3 0 341.474 3.477 20 0 EGADRP CCCc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)s1 ZINC000621329135 460989924 /nfs/dbraw/zinc/98/99/24/460989924.db2.gz QTVOMBBTRAQGKJ-UHFFFAOYSA-N 2 0 344.528 3.137 20 0 EGADRP Cc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)ncc1Br ZINC000628183691 461034960 /nfs/dbraw/zinc/03/49/60/461034960.db2.gz KEOPNTJSGOLGRB-HNNXBMFYSA-N 2 0 340.309 3.459 20 0 EGADRP C[NH2+]C[C@H](C)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000658982205 461125137 /nfs/dbraw/zinc/12/51/37/461125137.db2.gz LADLWTKZILVOQF-HNNXBMFYSA-N 2 0 332.492 3.181 20 0 EGADRP CC(C)c1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000668158829 461146056 /nfs/dbraw/zinc/14/60/56/461146056.db2.gz BJPULNPNZQVQCU-UHFFFAOYSA-N 2 0 329.532 3.269 20 0 EGADRP C[C@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CCc2ccc(Cl)cc21 ZINC000652353533 461146431 /nfs/dbraw/zinc/14/64/31/461146431.db2.gz OZRKQVPOTYYUTO-NSHDSACASA-N 2 0 334.851 3.079 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2Cl)C1 ZINC000652361086 461154151 /nfs/dbraw/zinc/15/41/51/461154151.db2.gz YDGZULPWGBNCIW-DQYPLSBCSA-N 2 0 326.843 3.340 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCc2c(F)cccc2Cl)C1 ZINC000652362372 461155756 /nfs/dbraw/zinc/15/57/56/461155756.db2.gz FQNUBKHBGIUURT-JEBQAFNWSA-N 2 0 340.870 3.382 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCc2nsc3ccccc32)C1 ZINC000662282924 461165432 /nfs/dbraw/zinc/16/54/32/461165432.db2.gz DNECLNWCORAWDB-JLSDUUJJSA-N 2 0 345.512 3.200 20 0 EGADRP C[N@@H+]1CCC[C@H]1CN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649546827 461166697 /nfs/dbraw/zinc/16/66/97/461166697.db2.gz BHPUVOXPTIZPTQ-LEWJYISDSA-N 2 0 327.516 3.069 20 0 EGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290814 461167107 /nfs/dbraw/zinc/16/71/07/461167107.db2.gz KXJMCSHNILTNQS-HKUYNNGSSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290878 461167156 /nfs/dbraw/zinc/16/71/56/461167156.db2.gz MLHUVZIJKGNQRH-SJLPKXTDSA-N 2 0 329.488 3.034 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000662294559 461173180 /nfs/dbraw/zinc/17/31/80/461173180.db2.gz QUJGXGDBHBUAJS-MJGOQNOKSA-N 2 0 343.515 3.342 20 0 EGADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295807 461176219 /nfs/dbraw/zinc/17/62/19/461176219.db2.gz UQTFZYSXMHAZJM-MRXNPFEDSA-N 2 0 349.906 3.299 20 0 EGADRP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1C ZINC000662314041 461186617 /nfs/dbraw/zinc/18/66/17/461186617.db2.gz LRFCZPADYDOGJQ-IMFGXOCKSA-N 2 0 345.531 3.320 20 0 EGADRP CO[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000638131108 461261199 /nfs/dbraw/zinc/26/11/99/461261199.db2.gz JOYYFCMSQIATHM-FQEVSTJZSA-N 2 0 338.536 3.016 20 0 EGADRP C[C@H]1CC[N@H+](Cc2ccccc2OCCCCO)C[C@H]1n1ccnc1 ZINC000638170077 461283363 /nfs/dbraw/zinc/28/33/63/461283363.db2.gz CLSZWDUIGIPHRN-PKOBYXMFSA-N 2 0 343.471 3.118 20 0 EGADRP CC[N@H+](CCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000652611822 461299480 /nfs/dbraw/zinc/29/94/80/461299480.db2.gz YTCNTHGOPMRKEH-UHFFFAOYSA-N 2 0 344.503 3.456 20 0 EGADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)[NH2+]C ZINC000659357782 461309524 /nfs/dbraw/zinc/30/95/24/461309524.db2.gz MQSRRBGGDPVALS-HNNXBMFYSA-N 2 0 339.911 3.008 20 0 EGADRP C[C@H](NCc1cnc(N(C)C)n1C)c1nc2ccccc2n1C(F)F ZINC000641706138 461328795 /nfs/dbraw/zinc/32/87/95/461328795.db2.gz YKCMCKSNGAADOF-NSHDSACASA-N 2 0 348.401 3.082 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000633943331 461341675 /nfs/dbraw/zinc/34/16/75/461341675.db2.gz ISIADYJLBNXJIL-UHFFFAOYSA-N 2 0 347.503 3.212 20 0 EGADRP C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000655694091 461367926 /nfs/dbraw/zinc/36/79/26/461367926.db2.gz ZLPPHKUNAFUKLW-FQEVSTJZSA-N 2 0 349.563 3.018 20 0 EGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641799358 461378083 /nfs/dbraw/zinc/37/80/83/461378083.db2.gz LNNJCRMTFZKDER-CRAIPNDOSA-N 2 0 331.485 3.015 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000638387285 461401377 /nfs/dbraw/zinc/40/13/77/461401377.db2.gz VZLGEIOHSQUOFR-QZTJIDSGSA-N 2 0 333.545 3.072 20 0 EGADRP C[N@H+](Cc1ccccc1C[NH2+][C@H]1CCCNC(=O)C1)C1CCCCC1 ZINC000638402358 461409405 /nfs/dbraw/zinc/40/94/05/461409405.db2.gz NWWCSEKVUDAAOU-IBGZPJMESA-N 2 0 343.515 3.209 20 0 EGADRP C[C@H](N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccn(C)n1 ZINC000666127160 461462925 /nfs/dbraw/zinc/46/29/25/461462925.db2.gz HWEKWMCTCRIQLD-GZMOKQHVSA-N 2 0 338.499 3.371 20 0 EGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631039353 461492453 /nfs/dbraw/zinc/49/24/53/461492453.db2.gz GTCMWBGVEKFCEX-UHFFFAOYSA-N 2 0 329.463 3.095 20 0 EGADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000647076396 461497363 /nfs/dbraw/zinc/49/73/63/461497363.db2.gz GUZHKJXUJJKHSA-GOSISDBHSA-N 2 0 335.451 3.141 20 0 EGADRP Cc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000642341689 461501198 /nfs/dbraw/zinc/50/11/98/461501198.db2.gz KHRBYMVRIFKJNN-JOCHJYFZSA-N 2 0 337.511 3.463 20 0 EGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112096 461506061 /nfs/dbraw/zinc/50/60/61/461506061.db2.gz LNZANFGUECRETF-PMACEKPBSA-N 2 0 341.499 3.184 20 0 EGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659982451 461528108 /nfs/dbraw/zinc/52/81/08/461528108.db2.gz NHTDXVRWKDMMDD-CRAIPNDOSA-N 2 0 347.528 3.153 20 0 EGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631091095 461540980 /nfs/dbraw/zinc/54/09/80/461540980.db2.gz KKXUSULUDRGZQB-LEWJYISDSA-N 2 0 342.458 3.446 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1)C(C)C ZINC000653194771 461551347 /nfs/dbraw/zinc/55/13/47/461551347.db2.gz WXMGQQBDZXMFQD-FPOVZHCZSA-N 2 0 343.515 3.118 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CC(C)(C)C[NH+]2CCCC2)o1 ZINC000647206495 461562584 /nfs/dbraw/zinc/56/25/84/461562584.db2.gz ULKAPMRWRJOYOQ-UHFFFAOYSA-N 2 0 330.476 3.200 20 0 EGADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCCC[NH+]2CCCC2)o1 ZINC000647212986 461566737 /nfs/dbraw/zinc/56/67/37/461566737.db2.gz HMNHCSOTUNWRBN-UHFFFAOYSA-N 2 0 330.476 3.344 20 0 EGADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663344384 461572358 /nfs/dbraw/zinc/57/23/58/461572358.db2.gz SKRUAYSCXUQXCW-XLIONFOSSA-N 2 0 346.515 3.312 20 0 EGADRP CSc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCC2 ZINC000647282345 461608242 /nfs/dbraw/zinc/60/82/42/461608242.db2.gz PLXZUNYTVPSQDV-LJQANCHMSA-N 2 0 347.572 3.402 20 0 EGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838518 461608388 /nfs/dbraw/zinc/60/83/88/461608388.db2.gz KTLOCZHKURWFCC-TZIWHRDSSA-N 2 0 325.500 3.206 20 0 EGADRP CC[NH+]1CCN(Cc2ccccc2CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663388885 461610300 /nfs/dbraw/zinc/61/03/00/461610300.db2.gz ZFULNTGBAVWDHL-UHFFFAOYSA-N 2 0 349.482 3.313 20 0 EGADRP CO[C@](C)([C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000666419045 461615644 /nfs/dbraw/zinc/61/56/44/461615644.db2.gz YQALLGFJLKELIT-LAUBAEHRSA-N 2 0 346.515 3.454 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000656195732 461642475 /nfs/dbraw/zinc/64/24/75/461642475.db2.gz FJTXRIAXCFDLKA-ILXRZTDVSA-N 2 0 327.394 3.144 20 0 EGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CSc3ccc(Br)cc32)C1 ZINC000656198804 461643873 /nfs/dbraw/zinc/64/38/73/461643873.db2.gz WTGYTDSECDCEFE-MDZLAQPJSA-N 2 0 327.291 3.455 20 0 EGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663465351 461653449 /nfs/dbraw/zinc/65/34/49/461653449.db2.gz JIMCCEGDLQICAB-HIFRSBDPSA-N 2 0 329.444 3.306 20 0 EGADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663470139 461660632 /nfs/dbraw/zinc/66/06/32/461660632.db2.gz SJSUZGZVYTUAEA-MJGOQNOKSA-N 2 0 343.515 3.424 20 0 EGADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663469515 461660661 /nfs/dbraw/zinc/66/06/61/461660661.db2.gz PYFFDAHSGIVCDF-VQIMIIECSA-N 2 0 346.515 3.346 20 0 EGADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000639085760 461718244 /nfs/dbraw/zinc/71/82/44/461718244.db2.gz IPAKIGCMPUJFEL-QUCCMNQESA-N 2 0 330.516 3.223 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000643453187 461730358 /nfs/dbraw/zinc/73/03/58/461730358.db2.gz MQFJTUAJXNDQSE-MDASCCDHSA-N 2 0 337.458 3.301 20 0 EGADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455511 461733056 /nfs/dbraw/zinc/73/30/56/461733056.db2.gz NTBZRZYKSIROQN-YSVLISHTSA-N 2 0 341.421 3.391 20 0 EGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455557 461733072 /nfs/dbraw/zinc/73/30/72/461733072.db2.gz VCGWFADHJWSGRW-KMFMINBZSA-N 2 0 341.421 3.262 20 0 EGADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000643462841 461734912 /nfs/dbraw/zinc/73/49/12/461734912.db2.gz MRWZJZYBFJVDMM-CWLKWCNXSA-N 2 0 335.442 3.054 20 0 EGADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)cn2)n1 ZINC000643463515 461735452 /nfs/dbraw/zinc/73/54/52/461735452.db2.gz UGKKKOJCBPAGNO-HNAYVOBHSA-N 2 0 341.503 3.285 20 0 EGADRP CC(C)(C)[C@]1(C[NH+]2CCC(O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000637859268 461742922 /nfs/dbraw/zinc/74/29/22/461742922.db2.gz COALLVRXXCYKKF-NRFANRHFSA-N 2 0 330.516 3.382 20 0 EGADRP CCc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000647532574 461750374 /nfs/dbraw/zinc/75/03/74/461750374.db2.gz IGJKNQSODIGHDL-GHTZIAJQSA-N 2 0 340.515 3.155 20 0 EGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521973 461752413 /nfs/dbraw/zinc/75/24/13/461752413.db2.gz GAEXFMXHHLARRY-RISCZKNCSA-N 2 0 329.257 3.251 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)nnn1-c1cccc(Cl)c1 ZINC000643534302 461753729 /nfs/dbraw/zinc/75/37/29/461753729.db2.gz PYWCIYNZXVBMBO-MLGOLLRUSA-N 2 0 345.878 3.022 20 0 EGADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542773 461754167 /nfs/dbraw/zinc/75/41/67/461754167.db2.gz BPYOAYGTFBWMMR-MSOLQXFVSA-N 2 0 332.536 3.467 20 0 EGADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(Br)c1 ZINC000643534382 461754548 /nfs/dbraw/zinc/75/45/48/461754548.db2.gz SSXMLWYWRWIBTD-QMTHXVAHSA-N 2 0 327.241 3.381 20 0 EGADRP Fc1ccc(Br)c2c1CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536595 461757077 /nfs/dbraw/zinc/75/70/77/461757077.db2.gz VIMIIDFTSSQOTF-KGLIPLIRSA-N 2 0 339.252 3.307 20 0 EGADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643546996 461759010 /nfs/dbraw/zinc/75/90/10/461759010.db2.gz YEFXGQWREBELMZ-DOTOQJQBSA-N 2 0 348.487 3.046 20 0 EGADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643548331 461760489 /nfs/dbraw/zinc/76/04/89/461760489.db2.gz NYJMUYQLLDVQHD-HLLBOEOZSA-N 2 0 332.488 3.460 20 0 EGADRP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cn2)c1 ZINC000647550725 461762340 /nfs/dbraw/zinc/76/23/40/461762340.db2.gz DZVLFANGCFRQSO-LZLYRXPVSA-N 2 0 341.430 3.491 20 0 EGADRP Fc1ccccc1-c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647551579 461765253 /nfs/dbraw/zinc/76/52/53/461765253.db2.gz WIEGCCGGXKLGFC-HZSPNIEDSA-N 2 0 331.460 3.427 20 0 EGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC000669691183 461768455 /nfs/dbraw/zinc/76/84/55/461768455.db2.gz GSQOERKBUNIRIQ-UHFFFAOYSA-N 2 0 333.495 3.211 20 0 EGADRP Clc1ccc(Cl)c(C[NH2+]CCCN2CC[NH2+]CC2)c1Cl ZINC000666736833 461781854 /nfs/dbraw/zinc/78/18/54/461781854.db2.gz ZTLYWVNBBAOPES-UHFFFAOYSA-N 2 0 336.694 3.032 20 0 EGADRP CC(C)(C)[C@]1(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000639202184 461800844 /nfs/dbraw/zinc/80/08/44/461800844.db2.gz UHDBROXREVZEQO-FCIYXJNOSA-N 2 0 342.527 3.095 20 0 EGADRP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c2ccccc12 ZINC000639262032 461830250 /nfs/dbraw/zinc/83/02/50/461830250.db2.gz ONRXUYCVZVWQEA-UHFFFAOYSA-N 2 0 326.484 3.473 20 0 EGADRP CCOc1cc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000647786175 461834980 /nfs/dbraw/zinc/83/49/80/461834980.db2.gz JSZPJKMBEMHDJM-KZNAEPCWSA-N 2 0 332.488 3.004 20 0 EGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000647788945 461835660 /nfs/dbraw/zinc/83/56/60/461835660.db2.gz VRVNRHALMZMYAS-WITVHBPWSA-N 2 0 327.472 3.074 20 0 EGADRP Brc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647791290 461836919 /nfs/dbraw/zinc/83/69/19/461836919.db2.gz BMKDJMAZAOSDNV-XJKCOSOUSA-N 2 0 335.289 3.416 20 0 EGADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790010 461836976 /nfs/dbraw/zinc/83/69/76/461836976.db2.gz PJGHPQJFHVQSGU-VUHPKUFZSA-N 2 0 347.934 3.452 20 0 EGADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000647794212 461838215 /nfs/dbraw/zinc/83/82/15/461838215.db2.gz UNCDDEBXWGUHRP-WHCFWRGISA-N 3 0 341.543 3.265 20 0 EGADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793311 461838414 /nfs/dbraw/zinc/83/84/14/461838414.db2.gz SYKFLSZKXLNQIR-BRWVUGGUSA-N 2 0 342.405 3.243 20 0 EGADRP Fc1cccc(Cl)c1CN1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000666858096 461839119 /nfs/dbraw/zinc/83/91/19/461839119.db2.gz WVJFWTOQWKDNHA-AWEZNQCLSA-N 2 0 339.886 3.175 20 0 EGADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647796748 461840275 /nfs/dbraw/zinc/84/02/75/461840275.db2.gz LZIDOPWNCGFVJZ-BZUAXINKSA-N 2 0 342.405 3.148 20 0 EGADRP COc1cccc(C)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000639310383 461855412 /nfs/dbraw/zinc/85/54/12/461855412.db2.gz GRWKUFOVTGVXEW-UHFFFAOYSA-N 2 0 339.483 3.400 20 0 EGADRP Cn1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-c2cc3ccccc3o2)n1 ZINC000666902399 461861090 /nfs/dbraw/zinc/86/10/90/461861090.db2.gz LPRRMBCWTWERIB-KRWDZBQOSA-N 2 0 338.455 3.455 20 0 EGADRP C[NH2+]Cc1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000666906931 461863201 /nfs/dbraw/zinc/86/32/01/461863201.db2.gz BMVKERJWPNOEPN-UHFFFAOYSA-N 2 0 339.483 3.493 20 0 EGADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666937643 461878863 /nfs/dbraw/zinc/87/88/63/461878863.db2.gz QDSMUZGTGXYWGY-AWEZNQCLSA-N 2 0 326.444 3.440 20 0 EGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666954513 461886216 /nfs/dbraw/zinc/88/62/16/461886216.db2.gz WRPVCNNWPVPMEM-XJKSGUPXSA-N 2 0 335.879 3.097 20 0 EGADRP Clc1sc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666955526 461887191 /nfs/dbraw/zinc/88/71/91/461887191.db2.gz VUUSIUUXVWCWTB-SNVBAGLBSA-N 2 0 335.698 3.396 20 0 EGADRP COc1cc2c(c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000656784718 461894420 /nfs/dbraw/zinc/89/44/20/461894420.db2.gz GFTSLRKOKUJGPB-DOTOQJQBSA-N 2 0 344.499 3.230 20 0 EGADRP CCn1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c2ccccc21 ZINC000656785271 461895761 /nfs/dbraw/zinc/89/57/61/461895761.db2.gz GLCXPXKJZTVOBM-KRWDZBQOSA-N 2 0 326.488 3.268 20 0 EGADRP Fc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cn2)cc1 ZINC000656786983 461897574 /nfs/dbraw/zinc/89/75/74/461897574.db2.gz YXCIZOKYTSRDEG-GOSISDBHSA-N 2 0 342.462 3.223 20 0 EGADRP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707155 461898976 /nfs/dbraw/zinc/89/89/76/461898976.db2.gz ZOTQMAWBSHQJTL-OWQGQXMQSA-N 2 0 338.879 3.067 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000650706221 461899133 /nfs/dbraw/zinc/89/91/33/461899133.db2.gz GQWHWLCBVLDFQY-DJIMGWMZSA-N 2 0 342.405 3.424 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000650706916 461899663 /nfs/dbraw/zinc/89/96/63/461899663.db2.gz VNKQAWMJSSAPSA-YQVWRLOYSA-N 2 0 341.455 3.060 20 0 EGADRP c1ccc([C@@H]2C[C@@H](Nc3ccc([C@H]4C[NH2+]CCO4)cc3)CC[NH2+]2)cc1 ZINC000656790858 461900681 /nfs/dbraw/zinc/90/06/81/461900681.db2.gz ACCCGGGTWXLMFN-PCCBWWKXSA-N 2 0 337.467 3.253 20 0 EGADRP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)c2O1 ZINC000650708280 461902291 /nfs/dbraw/zinc/90/22/91/461902291.db2.gz WXSAISBMZRVQGH-YTQUADARSA-N 2 0 344.499 3.118 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000666995716 461902641 /nfs/dbraw/zinc/90/26/41/461902641.db2.gz XPYUHTVWSZPSEM-DOTOQJQBSA-N 2 0 329.488 3.285 20 0 EGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995111 461903359 /nfs/dbraw/zinc/90/33/59/461903359.db2.gz DKYYQXLPZPRVKX-RDJZCZTQSA-N 2 0 329.488 3.230 20 0 EGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)c1 ZINC000666995326 461903612 /nfs/dbraw/zinc/90/36/12/461903612.db2.gz KDJNMGWGKLGQJU-IAGOWNOFSA-N 2 0 329.488 3.285 20 0 EGADRP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996868 461904499 /nfs/dbraw/zinc/90/44/99/461904499.db2.gz JPFKECPLNWJKJK-MRXNPFEDSA-N 2 0 330.863 3.494 20 0 EGADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654902 461905989 /nfs/dbraw/zinc/90/59/89/461905989.db2.gz CUYBBQMFTALFLN-OAQYLSRUSA-N 2 0 337.467 3.196 20 0 EGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1C ZINC000650718079 461910243 /nfs/dbraw/zinc/91/02/43/461910243.db2.gz XIMCYVDKQGDAAW-AWEZNQCLSA-N 2 0 343.446 3.408 20 0 EGADRP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650722232 461914242 /nfs/dbraw/zinc/91/42/42/461914242.db2.gz NRTPMRGUXRYASW-JZXOWHBKSA-N 2 0 338.879 3.209 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000650722581 461915196 /nfs/dbraw/zinc/91/51/96/461915196.db2.gz XGDRKFLLYVDLLQ-RLLQIKCJSA-N 2 0 325.456 3.096 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000650723957 461916375 /nfs/dbraw/zinc/91/63/75/461916375.db2.gz WDORLSGWNDZQKV-SUMDDJOVSA-N 2 0 332.419 3.433 20 0 EGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000650724068 461916661 /nfs/dbraw/zinc/91/66/61/461916661.db2.gz XWDPWFQFTAATKB-DJIMGWMZSA-N 2 0 326.843 3.340 20 0 EGADRP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647974926 461917424 /nfs/dbraw/zinc/91/74/24/461917424.db2.gz CCDLQQPKBXGLPU-MOPGFXCFSA-N 2 0 343.515 3.262 20 0 EGADRP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975093 461917677 /nfs/dbraw/zinc/91/76/77/461917677.db2.gz KROAWVIXSNPXCA-YTQUADARSA-N 2 0 343.515 3.288 20 0 EGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976408 461918123 /nfs/dbraw/zinc/91/81/23/461918123.db2.gz NZISQIOBFCMWLB-ULQDDVLXSA-N 2 0 347.478 3.173 20 0 EGADRP Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647978215 461921287 /nfs/dbraw/zinc/92/12/87/461921287.db2.gz OJICJRRTHLISQG-LSDHHAIUSA-N 2 0 344.434 3.087 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c(Br)c1 ZINC000650762633 461940379 /nfs/dbraw/zinc/94/03/79/461940379.db2.gz GPAGFYSINOMCPH-GFCCVEGCSA-N 2 0 341.293 3.498 20 0 EGADRP CCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000644432944 461955686 /nfs/dbraw/zinc/95/56/86/461955686.db2.gz BYZPEADDMJBMCD-UHFFFAOYSA-N 2 0 346.515 3.458 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000660760539 461957483 /nfs/dbraw/zinc/95/74/83/461957483.db2.gz RKUWNKNYFNCKDC-IYBDPMFKSA-N 2 0 349.485 3.313 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCN(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000660760536 461957542 /nfs/dbraw/zinc/95/75/42/461957542.db2.gz RKUWNKNYFNCKDC-HZPDHXFCSA-N 2 0 349.485 3.313 20 0 EGADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000667196885 461991584 /nfs/dbraw/zinc/99/15/84/461991584.db2.gz GXCLOKGAJOQHFZ-SJLPKXTDSA-N 2 0 344.503 3.230 20 0 EGADRP CC(C)([NH3+])CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648167677 461995588 /nfs/dbraw/zinc/99/55/88/461995588.db2.gz LOLYFKNCWIQZMO-MOPGFXCFSA-N 2 0 343.515 3.017 20 0 EGADRP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579083 462000423 /nfs/dbraw/zinc/00/04/23/462000423.db2.gz GRXKOOJLMBBCAM-JZXOWHBKSA-N 2 0 330.472 3.069 20 0 EGADRP COc1ncc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c2ccccc21 ZINC000639614343 462017861 /nfs/dbraw/zinc/01/78/61/462017861.db2.gz ATBBFRWFJBCELI-QGZVFWFLSA-N 2 0 335.407 3.292 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000657292626 462020738 /nfs/dbraw/zinc/02/07/38/462020738.db2.gz OKBYYGAMWIRDPR-HNNXBMFYSA-N 2 0 334.504 3.499 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657312459 462038164 /nfs/dbraw/zinc/03/81/64/462038164.db2.gz JLDHLOZBKSTAQX-OKILXGFUSA-N 2 0 346.441 3.287 20 0 EGADRP CCCn1nccc1C[NH2+]Cc1ccc(-n2ccnc2C)c(F)c1 ZINC000657328698 462049685 /nfs/dbraw/zinc/04/96/85/462049685.db2.gz CEZSQVVNEQKOLU-UHFFFAOYSA-N 2 0 327.407 3.216 20 0 EGADRP Cn1ncc(C2CC2)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000657338269 462057003 /nfs/dbraw/zinc/05/70/03/462057003.db2.gz LVBTZGLTXBISFP-UHFFFAOYSA-N 2 0 344.528 3.361 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000657348299 462062979 /nfs/dbraw/zinc/06/29/79/462062979.db2.gz QXWAATFMLHKYRJ-HKUYNNGSSA-N 2 0 334.504 3.310 20 0 EGADRP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000657363657 462072937 /nfs/dbraw/zinc/07/29/37/462072937.db2.gz AAODNHHZWNGSHV-SFHVURJKSA-N 2 0 346.515 3.374 20 0 EGADRP CCOc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C)c1 ZINC000657421598 462112059 /nfs/dbraw/zinc/11/20/59/462112059.db2.gz OOBSFKSGSSPUMT-UHFFFAOYSA-N 2 0 343.471 3.019 20 0 EGADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657426641 462115166 /nfs/dbraw/zinc/11/51/66/462115166.db2.gz BCNQFOQGJZQMJH-UHFFFAOYSA-N 2 0 327.403 3.365 20 0 EGADRP COC[C@H](C)Oc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000657448735 462132012 /nfs/dbraw/zinc/13/20/12/462132012.db2.gz XJGGVOLPOZVOSE-KRWDZBQOSA-N 2 0 334.504 3.312 20 0 EGADRP Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657538877 462173558 /nfs/dbraw/zinc/17/35/58/462173558.db2.gz XRWCANBPBPXALZ-IKGGRYGDSA-N 2 0 333.907 3.383 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000648576239 462185024 /nfs/dbraw/zinc/18/50/24/462185024.db2.gz ZRKJBECAPGPFSF-ZWKOTPCHSA-N 2 0 332.488 3.207 20 0 EGADRP CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645191770 462226766 /nfs/dbraw/zinc/22/67/66/462226766.db2.gz QETFBGBQPBVABE-NRFANRHFSA-N 2 0 346.515 3.192 20 0 EGADRP COCCC[NH+]1CCC(N[C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657867527 462301832 /nfs/dbraw/zinc/30/18/32/462301832.db2.gz TXOXGEIHMQSAGW-CYBMUJFWSA-N 2 0 327.419 3.171 20 0 EGADRP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000651752820 462326202 /nfs/dbraw/zinc/32/62/02/462326202.db2.gz VQQQFTSVUAKWNR-VQIMIIECSA-N 2 0 331.504 3.036 20 0 EGADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651827389 462350988 /nfs/dbraw/zinc/35/09/88/462350988.db2.gz BODGJDODFLNKLE-UHFFFAOYSA-N 2 0 326.488 3.453 20 0 EGADRP CCCN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000648995223 462362624 /nfs/dbraw/zinc/36/26/24/462362624.db2.gz OTPNQPROQUCVEB-HXUWFJFHSA-N 2 0 343.515 3.229 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237589 462362796 /nfs/dbraw/zinc/36/27/96/462362796.db2.gz FFEPNCLJMQKMNO-MEDUHNTESA-N 2 0 345.409 3.389 20 0 EGADRP OC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC1CC1 ZINC000658257297 462445626 /nfs/dbraw/zinc/44/56/26/462445626.db2.gz ZLDYAXYHIYVFIO-BURNTYAHSA-N 2 0 328.500 3.180 20 0 EGADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141006 462447123 /nfs/dbraw/zinc/44/71/23/462447123.db2.gz CCXKGOOEPXSYSK-ZBFHGGJFSA-N 2 0 336.476 3.095 20 0 EGADRP CC(C)C[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000652149022 462451707 /nfs/dbraw/zinc/45/17/07/462451707.db2.gz OQQHWLYBZAPBJX-PXNSSMCTSA-N 2 0 335.511 3.386 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649291284 462469407 /nfs/dbraw/zinc/46/94/07/462469407.db2.gz XLONILZPXJJGMW-CALCHBBNSA-N 2 0 345.531 3.298 20 0 EGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649294977 462470003 /nfs/dbraw/zinc/47/00/03/462470003.db2.gz ZYVXHIOEPBZEEQ-WMLDXEAASA-N 2 0 337.895 3.111 20 0 EGADRP C[C@@H]1C[C@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000649330133 462479824 /nfs/dbraw/zinc/47/98/24/462479824.db2.gz ZGQLLRDRTMYHRX-SJLPKXTDSA-N 2 0 331.504 3.015 20 0 EGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000658357400 462488785 /nfs/dbraw/zinc/48/87/85/462488785.db2.gz OMGZHVPPOJWBES-QGZVFWFLSA-N 2 0 343.515 3.424 20 0 EGADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358009 462489721 /nfs/dbraw/zinc/48/97/21/462489721.db2.gz XGWZEDVMMURRQN-NRFANRHFSA-N 2 0 348.506 3.485 20 0 EGADRP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000169127470 533889327 /nfs/dbraw/zinc/88/93/27/533889327.db2.gz UHFPFEITKHAIQR-LAUBAEHRSA-N 2 0 342.483 3.185 20 0 EGADRP Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cnn1C ZINC000177959385 533949808 /nfs/dbraw/zinc/94/98/08/533949808.db2.gz JWZBLQMWSSLWJM-LSDHHAIUSA-N 2 0 330.476 3.081 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C[NH+]1CCCC1 ZINC000165268858 534125096 /nfs/dbraw/zinc/12/50/96/534125096.db2.gz ZUCVDYRSDXCAKB-HZPDHXFCSA-N 2 0 331.460 3.026 20 0 EGADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000130443610 534226669 /nfs/dbraw/zinc/22/66/69/534226669.db2.gz DHRHOVCTTJYSLN-HNNXBMFYSA-N 2 0 330.501 3.054 20 0 EGADRP CCCc1nc(C)c(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)o1 ZINC000428237394 517617779 /nfs/dbraw/zinc/61/77/79/517617779.db2.gz IQBZHJZOXJWWGU-UHFFFAOYSA-N 2 0 337.508 3.258 20 0 EGADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000430853008 518197640 /nfs/dbraw/zinc/19/76/40/518197640.db2.gz UWXDSYROODNMNR-GVDBMIGSSA-N 2 0 349.544 3.299 20 0 EGADRP CC[N@H+](CC(C)C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000153715371 527962459 /nfs/dbraw/zinc/96/24/59/527962459.db2.gz IOCIOGYXVFKBLU-SFHVURJKSA-N 2 0 345.531 3.134 20 0 EGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000131327455 528116220 /nfs/dbraw/zinc/11/62/20/528116220.db2.gz YPODQHOSEDTKEO-SJORKVTESA-N 2 0 329.492 3.428 20 0 EGADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000154233611 528219106 /nfs/dbraw/zinc/21/91/06/528219106.db2.gz PUVSGXMDEISXKA-FQEVSTJZSA-N 2 0 333.520 3.154 20 0 EGADRP CC1CC[NH+](CCNC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000132401269 528247646 /nfs/dbraw/zinc/24/76/46/528247646.db2.gz YEPDRZNBKIIZGD-UHFFFAOYSA-N 2 0 329.532 3.015 20 0 EGADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000178694733 528725346 /nfs/dbraw/zinc/72/53/46/528725346.db2.gz WVBFITWWJBEJGA-OALUTQOASA-N 2 0 347.547 3.400 20 0 EGADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000153918897 528773512 /nfs/dbraw/zinc/77/35/12/528773512.db2.gz MTMXBTYBKAMHQU-LJQANCHMSA-N 2 0 331.504 3.083 20 0 EGADRP CC(C)[C@H](C[NH2+][C@@H]1CCSc2ccccc21)N1CC[NH+](C)CC1 ZINC000132306486 529015359 /nfs/dbraw/zinc/01/53/59/529015359.db2.gz NRXJRKUMAKERTI-MSOLQXFVSA-N 2 0 333.545 3.085 20 0 EGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000187191942 529151258 /nfs/dbraw/zinc/15/12/58/529151258.db2.gz SBXRRGGRMJAEBJ-VQIMIIECSA-N 2 0 335.923 3.155 20 0 EGADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(=O)OCC)co2)CC1 ZINC000353447907 535216754 /nfs/dbraw/zinc/21/67/54/535216754.db2.gz LKVVGRZGBDEWMN-UHFFFAOYSA-N 2 0 336.476 3.400 20 0 EGADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000338033405 535649061 /nfs/dbraw/zinc/64/90/61/535649061.db2.gz WZYMLGCBYGBUQU-INIZCTEOSA-N 2 0 331.504 3.131 20 0 EGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236824454 535653488 /nfs/dbraw/zinc/65/34/88/535653488.db2.gz CBCCUQIAYUYYBB-UXHICEINSA-N 2 0 339.483 3.276 20 0 EGADRP CC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH2+]C1 ZINC000363511086 535883156 /nfs/dbraw/zinc/88/31/56/535883156.db2.gz GQANJJPRBHDNHQ-FQEVSTJZSA-N 2 0 329.488 3.043 20 0 EGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CCCCCC[NH3+])CC1 ZINC000262631528 536345004 /nfs/dbraw/zinc/34/50/04/536345004.db2.gz FNEBYYLGOAONFL-UHFFFAOYSA-N 2 0 332.492 3.040 20 0 EGADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000351615996 536356979 /nfs/dbraw/zinc/35/69/79/536356979.db2.gz PILNHUZMTTYOKD-ROUUACIJSA-N 2 0 345.535 3.058 20 0 EGADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)ccc1Cl ZINC000090943437 546661708 /nfs/dbraw/zinc/66/17/08/546661708.db2.gz DHMOUJOGYXRYCE-QLFBSQMISA-N 2 0 337.870 3.274 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1 ZINC000092454069 546674310 /nfs/dbraw/zinc/67/43/10/546674310.db2.gz DCHUBJMWFOSXCV-UHFFFAOYSA-N 2 0 334.504 3.407 20 0 EGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000130057508 546792654 /nfs/dbraw/zinc/79/26/54/546792654.db2.gz BRKONVKKFIMBTF-IBGZPJMESA-N 2 0 344.499 3.162 20 0 EGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133100894 546817252 /nfs/dbraw/zinc/81/72/52/546817252.db2.gz BRPIUMZYUSLKQE-IIBYNOLFSA-N 2 0 344.499 3.163 20 0 EGADRP CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2)CC1 ZINC000164560970 546980932 /nfs/dbraw/zinc/98/09/32/546980932.db2.gz ROURBZIZOBBLQQ-UHFFFAOYSA-N 2 0 327.428 3.223 20 0 EGADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166426525 546987736 /nfs/dbraw/zinc/98/77/36/546987736.db2.gz RWHYWBWGZUNTBC-LSDHHAIUSA-N 2 0 335.879 3.193 20 0 EGADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000166744076 546989659 /nfs/dbraw/zinc/98/96/59/546989659.db2.gz APOUSCKUEOAXKS-QGZVFWFLSA-N 2 0 331.847 3.083 20 0 EGADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000222646655 547245399 /nfs/dbraw/zinc/24/53/99/547245399.db2.gz QLLPTHBRSGONLA-INIZCTEOSA-N 2 0 337.467 3.101 20 0 EGADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)n1 ZINC000246416104 547279464 /nfs/dbraw/zinc/27/94/64/547279464.db2.gz MWWOVCCNYBIKAQ-MSOLQXFVSA-N 2 0 340.471 3.058 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000339236670 547571062 /nfs/dbraw/zinc/57/10/62/547571062.db2.gz HAOQWGYWMNCNLI-QZTJIDSGSA-N 2 0 347.503 3.187 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000339239537 547571538 /nfs/dbraw/zinc/57/15/38/547571538.db2.gz ZNVGWJBOSUVBEC-SJORKVTESA-N 2 0 349.544 3.266 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348100156 547626696 /nfs/dbraw/zinc/62/66/96/547626696.db2.gz FBJKPTSLZAIIML-SFTDATJTSA-N 2 0 327.516 3.102 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352793151 547687979 /nfs/dbraw/zinc/68/79/79/547687979.db2.gz KZFBSYPAGYRFOO-QGZVFWFLSA-N 2 0 334.529 3.486 20 0 EGADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000358749092 547746363 /nfs/dbraw/zinc/74/63/63/547746363.db2.gz GETQCXASRARERE-SFHVURJKSA-N 2 0 332.488 3.403 20 0 EGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371251927 547797756 /nfs/dbraw/zinc/79/77/56/547797756.db2.gz RGCUTCXXFQGUKI-SQNIBIBYSA-N 2 0 332.488 3.241 20 0 EGADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000398063585 547835882 /nfs/dbraw/zinc/83/58/82/547835882.db2.gz WZFADLRLDDQNLG-ZIFCJYIRSA-N 2 0 346.515 3.464 20 0 EGADRP COC(C)(C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000671098848 548249174 /nfs/dbraw/zinc/24/91/74/548249174.db2.gz IIVKLSVHZLLOCC-LJQANCHMSA-N 2 0 347.547 3.300 20 0 EGADRP C[NH+](C)CCOc1ccc(CNc2[nH+]ccn2-c2ccccc2)cc1 ZINC000671673460 548330385 /nfs/dbraw/zinc/33/03/85/548330385.db2.gz OUVXOFBSGFDDGC-UHFFFAOYSA-N 2 0 336.439 3.425 20 0 EGADRP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000671715621 548341359 /nfs/dbraw/zinc/34/13/59/548341359.db2.gz OJFPQZNHYZYUJL-AIMAZDRCSA-N 2 0 336.426 3.069 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744016 548350158 /nfs/dbraw/zinc/35/01/58/548350158.db2.gz QDFVPHBTFCAFQT-QLFBSQMISA-N 2 0 347.459 3.073 20 0 EGADRP C[C@@H]([NH2+]Cc1ccncc1OCc1ccccc1)C1CC[NH+](C)CC1 ZINC000671765608 548356459 /nfs/dbraw/zinc/35/64/59/548356459.db2.gz KUOFGFBFECRAPV-QGZVFWFLSA-N 2 0 339.483 3.481 20 0 EGADRP COc1ccc(OCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000675734260 548970188 /nfs/dbraw/zinc/97/01/88/548970188.db2.gz FRAHLLIQNZHUIS-UHFFFAOYSA-N 2 0 332.488 3.461 20 0 EGADRP CC1(C)C[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000677748086 549325599 /nfs/dbraw/zinc/32/55/99/549325599.db2.gz DTWYQXJEBZYXSZ-HSALFYBXSA-N 2 0 327.516 3.256 20 0 EGADRP C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678185203 549420857 /nfs/dbraw/zinc/42/08/57/549420857.db2.gz WRONIXMJCUADFS-GOSISDBHSA-N 2 0 342.483 3.010 20 0 EGADRP CCc1nn(C)cc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000678361212 549476419 /nfs/dbraw/zinc/47/64/19/549476419.db2.gz SPXKSBLYUGXCTI-HKUYNNGSSA-N 2 0 340.515 3.373 20 0 EGADRP CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678623773 549533405 /nfs/dbraw/zinc/53/34/05/549533405.db2.gz MHPGVMOJRPLCHQ-INIZCTEOSA-N 2 0 327.472 3.435 20 0 EGADRP Cc1cc(C)c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000678718715 549547678 /nfs/dbraw/zinc/54/76/78/549547678.db2.gz APQPODSWQGWBPW-FQEVSTJZSA-N 2 0 329.532 3.212 20 0 EGADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)n1 ZINC000679770174 549774389 /nfs/dbraw/zinc/77/43/89/549774389.db2.gz ORMQPOKGKLLOBL-UZLBHIALSA-N 2 0 339.483 3.116 20 0 EGADRP C[C@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO[C@H]1C1CC1 ZINC000680150092 549827667 /nfs/dbraw/zinc/82/76/67/549827667.db2.gz XGTVDEXNGFXCJQ-SFTDATJTSA-N 2 0 344.499 3.208 20 0 EGADRP COc1ccc(COCC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000680401251 549862720 /nfs/dbraw/zinc/86/27/20/549862720.db2.gz LSIZWMJTUVNMIF-PKOBYXMFSA-N 2 0 346.515 3.454 20 0 EGADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)OC(C)C ZINC000681140359 549960105 /nfs/dbraw/zinc/96/01/05/549960105.db2.gz VAUBLHIONINWKF-UZLBHIALSA-N 2 0 334.504 3.481 20 0 EGADRP COc1cc(C)c([C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C ZINC000681662816 550024386 /nfs/dbraw/zinc/02/43/86/550024386.db2.gz JOWFTLVUNJEQMU-GOSISDBHSA-N 2 0 346.515 3.417 20 0 EGADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000682733390 550137788 /nfs/dbraw/zinc/13/77/88/550137788.db2.gz XZWJZJXBCYIVCJ-IBGZPJMESA-N 2 0 345.531 3.033 20 0 EGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000684953455 550387749 /nfs/dbraw/zinc/38/77/49/550387749.db2.gz GAQGDDOKWJQPEE-RBUKOAKNSA-N 2 0 344.547 3.032 20 0 EGADRP Cc1cc2oc(=O)cc(C[NH+]3CCC(C[NH+](C)C)CC3)c2cc1C ZINC000729266306 574834784 /nfs/dbraw/zinc/83/47/84/574834784.db2.gz WLCIVYKJTVFYRD-UHFFFAOYSA-N 2 0 328.456 3.183 20 0 EGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000731042559 575046341 /nfs/dbraw/zinc/04/63/41/575046341.db2.gz ZCBDMBKFJDJQRO-HNNXBMFYSA-N 2 0 340.496 3.494 20 0 EGADRP Cc1cc(NC(=O)CCCC[NH+](C)C)ccc1OCC[NH+]1CCCC1 ZINC000736689564 576004953 /nfs/dbraw/zinc/00/49/53/576004953.db2.gz RMXOYGAMNNOCIB-UHFFFAOYSA-N 2 0 347.503 3.140 20 0 EGADRP C[C@@H]([NH+](C)CCS(=O)(=O)CC[N@@H+](C)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000742588357 576791023 /nfs/dbraw/zinc/79/10/23/576791023.db2.gz IZNHRGQYYCPDQA-HZPDHXFCSA-N 2 0 348.597 3.134 20 0 EGADRP CC1(C)[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[NH2+][C@H]21 ZINC000693698135 1298151161 /nfs/dbraw/zinc/15/11/61/1298151161.db2.gz TWQRCQVVVYRPIK-XUVXKRRUSA-N 2 0 327.516 3.017 20 0 EGADRP CN(CCCCCC[NH3+])C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000877438833 1299299230 /nfs/dbraw/zinc/29/92/30/1299299230.db2.gz XJBCTUYRIWHPIV-UHFFFAOYSA-N 2 0 331.460 3.086 20 0 EGADRP CC1(C)CC(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC(C)(C)[NH2+]1 ZINC000027979687 1291298262 /nfs/dbraw/zinc/29/82/62/1291298262.db2.gz SWORYSGZWIXBHZ-UHFFFAOYSA-N 2 0 347.503 3.305 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(C)c3)cc2)CC1 ZINC000061070152 1291959129 /nfs/dbraw/zinc/95/91/29/1291959129.db2.gz TVXODKZFCQJNJU-UHFFFAOYSA-N 2 0 337.511 3.422 20 0 EGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cccc(O)c1 ZINC000061069922 1291959706 /nfs/dbraw/zinc/95/97/06/1291959706.db2.gz AGOJCQZSGZRKJN-UHFFFAOYSA-N 2 0 328.456 3.403 20 0 EGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000067187121 1292151864 /nfs/dbraw/zinc/15/18/64/1292151864.db2.gz ZRGJQBSIYGNKBY-UHFFFAOYSA-N 2 0 345.531 3.124 20 0 EGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000067671687 1292167233 /nfs/dbraw/zinc/16/72/33/1292167233.db2.gz QRMIGQNQABSBFE-LJQANCHMSA-N 2 0 347.547 3.227 20 0 EGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000067671686 1292167826 /nfs/dbraw/zinc/16/78/26/1292167826.db2.gz QRMIGQNQABSBFE-IBGZPJMESA-N 2 0 347.547 3.227 20 0 EGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000828936823 1292518655 /nfs/dbraw/zinc/51/86/55/1292518655.db2.gz VDCHCTHHFHAPED-KKUMJFAQSA-N 2 0 337.335 3.297 20 0 EGADRP c1cc2c(cc1C[NH2+]C1CCC([NH+]3CCCCC3)CC1)OCCO2 ZINC000080347737 1292595955 /nfs/dbraw/zinc/59/59/55/1292595955.db2.gz RMGOJIIWTPDQNL-UHFFFAOYSA-N 2 0 330.472 3.345 20 0 EGADRP CCC1CCC([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000080373738 1292597341 /nfs/dbraw/zinc/59/73/41/1292597341.db2.gz DUNQXYXRLFNUGP-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)CCCCCC[NH3+])c2)CC1 ZINC000831490400 1292871578 /nfs/dbraw/zinc/87/15/78/1292871578.db2.gz IWYSXOKSLLYIAL-UHFFFAOYSA-N 2 0 346.519 3.065 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000105442080 1293036704 /nfs/dbraw/zinc/03/67/04/1293036704.db2.gz GJAWKHTYVWGJMW-CQSZACIVSA-N 2 0 344.330 3.357 20 0 EGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(OC)c2OC)c1 ZINC000105449568 1293037113 /nfs/dbraw/zinc/03/71/13/1293037113.db2.gz VUTJHCGGXWRLTC-UHFFFAOYSA-N 2 0 328.456 3.445 20 0 EGADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000121589099 1293379475 /nfs/dbraw/zinc/37/94/75/1293379475.db2.gz JZUXYPBVMKDIEU-FQEVSTJZSA-N 2 0 334.479 3.447 20 0 EGADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000128080970 1293582518 /nfs/dbraw/zinc/58/25/18/1293582518.db2.gz RTZXSUKIEZRUQW-YLFCFFPRSA-N 2 0 337.508 3.039 20 0 EGADRP CCOc1cccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132469775 1293719625 /nfs/dbraw/zinc/71/96/25/1293719625.db2.gz OSUQSBHHERQXGO-FXAWDEMLSA-N 2 0 333.520 3.008 20 0 EGADRP CCOc1cccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000132469656 1293719891 /nfs/dbraw/zinc/71/98/91/1293719891.db2.gz OSUQSBHHERQXGO-YLJYHZDGSA-N 2 0 333.520 3.008 20 0 EGADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000133287856 1293741616 /nfs/dbraw/zinc/74/16/16/1293741616.db2.gz UNXUWMLEOCVEPT-MRXNPFEDSA-N 2 0 327.513 3.094 20 0 EGADRP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000136576700 1293817997 /nfs/dbraw/zinc/81/79/97/1293817997.db2.gz FHLFRNHAARZRHD-SFTDATJTSA-N 2 0 330.516 3.469 20 0 EGADRP Cc1ccc(-c2cccc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)c2)cc1 ZINC000150788515 1293893891 /nfs/dbraw/zinc/89/38/91/1293893891.db2.gz PBDKDGMFWCRMHS-IBGZPJMESA-N 2 0 337.511 3.388 20 0 EGADRP C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000156657760 1294153284 /nfs/dbraw/zinc/15/32/84/1294153284.db2.gz CYOFDQUDIOJJGI-OOHWJJMZSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000161137710 1294285801 /nfs/dbraw/zinc/28/58/01/1294285801.db2.gz KTLQKSKGVDWLJW-LPHOPBHVSA-N 2 0 346.475 3.026 20 0 EGADRP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000166747787 1294363926 /nfs/dbraw/zinc/36/39/26/1294363926.db2.gz MEMRNILLPARQPZ-HZPDHXFCSA-N 2 0 339.524 3.286 20 0 EGADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]CCN2CCCCCC2)CC1 ZINC000177552630 1294677945 /nfs/dbraw/zinc/67/79/45/1294677945.db2.gz AXAKIFVSRPTFHJ-UHFFFAOYSA-N 2 0 339.524 3.099 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2(C)COC2)cc1C[NH+]1CCCCC1 ZINC000182960541 1295089318 /nfs/dbraw/zinc/08/93/18/1295089318.db2.gz GCTQLDRVZLAHMS-MRXNPFEDSA-N 2 0 332.488 3.368 20 0 EGADRP COc1ccc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1C[NH+]1CCCCC1 ZINC000183576929 1295131960 /nfs/dbraw/zinc/13/19/60/1295131960.db2.gz UTLGDPVQYIARRS-ABSDTBQOSA-N 2 0 344.499 3.269 20 0 EGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)ccc1OC ZINC000187677932 1295408989 /nfs/dbraw/zinc/40/89/89/1295408989.db2.gz OGRZDQKQUAVQIP-JVPBZIDWSA-N 2 0 334.504 3.347 20 0 EGADRP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000870875275 1296125987 /nfs/dbraw/zinc/12/59/87/1296125987.db2.gz GKKCNOCKPAWMRA-BGYRXZFFSA-N 2 0 343.515 3.196 20 0 EGADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000237364026 1296238877 /nfs/dbraw/zinc/23/88/77/1296238877.db2.gz AHMCIIJPQKEYRL-KRWDZBQOSA-N 2 0 343.515 3.289 20 0 EGADRP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000237426175 1296244048 /nfs/dbraw/zinc/24/40/48/1296244048.db2.gz OAKUNBMSBQAQTB-LJQANCHMSA-N 2 0 342.458 3.489 20 0 EGADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](C)C(C)(C)CC3)c2)C1 ZINC000871157084 1296246661 /nfs/dbraw/zinc/24/66/61/1296246661.db2.gz GNFAOOBGGURILN-LJQANCHMSA-N 2 0 343.515 3.052 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245942174 1296331909 /nfs/dbraw/zinc/33/19/09/1296331909.db2.gz JZHGMTXZBHPSPH-MWDXBVQZSA-N 2 0 339.524 3.142 20 0 EGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245942183 1296332784 /nfs/dbraw/zinc/33/27/84/1296332784.db2.gz JZHGMTXZBHPSPH-TWMKSMIVSA-N 2 0 339.524 3.142 20 0 EGADRP CCCCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248182001 1296408138 /nfs/dbraw/zinc/40/81/38/1296408138.db2.gz WOJDUQOQIISWJO-FXAWDEMLSA-N 2 0 345.531 3.442 20 0 EGADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1C[NH+]1CCCCC1 ZINC000249150102 1296439240 /nfs/dbraw/zinc/43/92/40/1296439240.db2.gz XMNKYYOZIUPIPC-SQGPQFPESA-N 2 0 346.515 3.493 20 0 EGADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261542734 1296593837 /nfs/dbraw/zinc/59/38/37/1296593837.db2.gz CKMMASMPBZGEJF-PLACYPQZSA-N 3 0 327.516 3.019 20 0 EGADRP c1ccc(COc2cccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c2)nc1 ZINC000261984161 1296612080 /nfs/dbraw/zinc/61/20/80/1296612080.db2.gz JNESMJJFLQQAMD-UHFFFAOYSA-N 2 0 337.467 3.236 20 0 EGADRP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262013472 1296613823 /nfs/dbraw/zinc/61/38/23/1296613823.db2.gz MLBRVDBXUBHKSC-UHFFFAOYSA-N 2 0 330.863 3.306 20 0 EGADRP Fc1cccc(Br)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262069947 1296616218 /nfs/dbraw/zinc/61/62/18/1296616218.db2.gz RXSRJEBQYHIZGW-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP Fc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000262042193 1296617422 /nfs/dbraw/zinc/61/74/22/1296617422.db2.gz PHRQERILCPKEOR-UHFFFAOYSA-N 2 0 327.241 3.164 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccsc1 ZINC000262952278 1296654856 /nfs/dbraw/zinc/65/48/56/1296654856.db2.gz JVMWCMVOZURLTJ-JZXOWHBKSA-N 2 0 337.533 3.155 20 0 EGADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCCC2 ZINC000872032802 1296682545 /nfs/dbraw/zinc/68/25/45/1296682545.db2.gz AHAFUYOBINYUKU-GOSISDBHSA-N 2 0 332.488 3.403 20 0 EGADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000872085225 1296725520 /nfs/dbraw/zinc/72/55/20/1296725520.db2.gz NTACMUXPPUMYCS-MJGOQNOKSA-N 2 0 338.536 3.061 20 0 EGADRP CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000872086027 1296726069 /nfs/dbraw/zinc/72/60/69/1296726069.db2.gz RFWMYFYIESCFFH-WOJBJXKFSA-N 2 0 345.531 3.477 20 0 EGADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1)C1CCCC1 ZINC000872158019 1296775435 /nfs/dbraw/zinc/77/54/35/1296775435.db2.gz RURULJOEWPVHGL-QRWLVFNGSA-N 2 0 334.479 3.438 20 0 EGADRP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156225 1296775868 /nfs/dbraw/zinc/77/58/68/1296775868.db2.gz GKFLFDQLXKBCCW-YLJYHZDGSA-N 2 0 343.515 3.166 20 0 EGADRP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2nc(-c3ccco3)no2)C1)C1CCCC1 ZINC000872156898 1296776699 /nfs/dbraw/zinc/77/66/99/1296776699.db2.gz MGWVDCMGGKVEDM-GDBMZVCRSA-N 2 0 344.459 3.449 20 0 EGADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000302100929 1296799168 /nfs/dbraw/zinc/79/91/68/1296799168.db2.gz KZHFPOBMDDYZGO-KRWDZBQOSA-N 2 0 341.540 3.105 20 0 EGADRP C[C@@]1(C[NH2+]C[C@@H](O)c2ccccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000310925309 1297103751 /nfs/dbraw/zinc/10/37/51/1297103751.db2.gz RZPBVPNXXJZSMN-RTWAWAEBSA-N 2 0 342.458 3.361 20 0 EGADRP OCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCCc2ccccc21 ZINC000873206315 1297352511 /nfs/dbraw/zinc/35/25/11/1297352511.db2.gz ZNJDWEGFIUPMEV-IBGZPJMESA-N 2 0 342.508 3.266 20 0 EGADRP O[C@@H](C[NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc2ccccc2c1 ZINC000873211905 1297355749 /nfs/dbraw/zinc/35/57/49/1297355749.db2.gz GXEMURZWRNPTHU-IBGZPJMESA-N 2 0 338.476 3.370 20 0 EGADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(OC(F)F)c1 ZINC000873288757 1297410854 /nfs/dbraw/zinc/41/08/54/1297410854.db2.gz BNKQWQRPSGGOCR-CZUORRHYSA-N 2 0 340.414 3.097 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc2c(s1)CCCC2 ZINC000873290997 1297412937 /nfs/dbraw/zinc/41/29/37/1297412937.db2.gz HSCYREOYRFKZIG-GOEBONIOSA-N 2 0 334.529 3.436 20 0 EGADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291588 1297414408 /nfs/dbraw/zinc/41/44/08/1297414408.db2.gz KTNZVURONDSKQE-HIFRSBDPSA-N 2 0 337.533 3.384 20 0 EGADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291600 1297414568 /nfs/dbraw/zinc/41/45/68/1297414568.db2.gz LIPIANVBOGSWJJ-UXHICEINSA-N 2 0 330.516 3.392 20 0 EGADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2ccsc2S1 ZINC000873293284 1297415255 /nfs/dbraw/zinc/41/52/55/1297415255.db2.gz YTZQGAUEZRXGQG-GUTXKFCHSA-N 2 0 338.542 3.422 20 0 EGADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873293080 1297416096 /nfs/dbraw/zinc/41/60/96/1297416096.db2.gz XLOLSDLJXCXYNN-UFYCRDLUSA-N 2 0 328.500 3.146 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000382724179 1297563363 /nfs/dbraw/zinc/56/33/63/1297563363.db2.gz YOEMAQYEUORZRC-WBVHZDCISA-N 2 0 339.524 3.096 20 0 EGADRP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000386303239 1297588841 /nfs/dbraw/zinc/58/88/41/1297588841.db2.gz FZHNEBMTRUHXSC-GHTZIAJQSA-N 2 0 342.458 3.361 20 0 EGADRP CCCN1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548713 1297609686 /nfs/dbraw/zinc/60/96/86/1297609686.db2.gz NMGDOFHUBBXSED-SJORKVTESA-N 2 0 337.305 3.380 20 0 EGADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000392472425 1297658746 /nfs/dbraw/zinc/65/87/46/1297658746.db2.gz APJZPSVTHKSKGK-QGZVFWFLSA-N 2 0 335.536 3.070 20 0 EGADRP CCC[NH+]1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000397502112 1297700942 /nfs/dbraw/zinc/70/09/42/1297700942.db2.gz ZXCQERDQPOQXDG-UHFFFAOYSA-N 3 0 329.532 3.363 20 0 EGADRP CCC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398059428 1297714480 /nfs/dbraw/zinc/71/44/80/1297714480.db2.gz AXVJNWZAEJSQGT-WIYYLYMNSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000398154088 1297715552 /nfs/dbraw/zinc/71/55/52/1297715552.db2.gz ZJSPUPMRGXZZLF-LVCYWYKZSA-N 2 0 329.532 3.217 20 0 EGADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444793705 1297860200 /nfs/dbraw/zinc/86/02/00/1297860200.db2.gz QGJAQUTXBYCJQF-OLZOCXBDSA-N 2 0 343.456 3.472 20 0 EGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000498212446 1297953985 /nfs/dbraw/zinc/95/39/85/1297953985.db2.gz OXPULMUAOQFHSG-PKOBYXMFSA-N 2 0 335.536 3.199 20 0 EGADRP c1ccc(C[NH+]2CCC3(CCN([C@@H]4CCC[NH2+]C4)CC3)CC2)cc1 ZINC000691917802 1298138974 /nfs/dbraw/zinc/13/89/74/1298138974.db2.gz NBYWOVKEXSNSKZ-HXUWFJFHSA-N 2 0 327.516 3.117 20 0 EGADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000700800731 1298179469 /nfs/dbraw/zinc/17/94/69/1298179469.db2.gz VGFPYXOZRSWVTM-IXDOHACOSA-N 2 0 339.524 3.144 20 0 EGADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000724026831 1298342980 /nfs/dbraw/zinc/34/29/80/1298342980.db2.gz HQSWXQGHZWCBBB-SJORKVTESA-N 2 0 339.524 3.145 20 0 EGADRP CSC(C)(C)CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876874749 1299046265 /nfs/dbraw/zinc/04/62/65/1299046265.db2.gz KEOOKHACCCGGRL-SFHVURJKSA-N 2 0 335.561 3.096 20 0 EGADRP CSC(C)(C)CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876874748 1299047046 /nfs/dbraw/zinc/04/70/46/1299047046.db2.gz KEOOKHACCCGGRL-GOSISDBHSA-N 2 0 335.561 3.096 20 0 EGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCCCC[NH+](C)C)C[C@H]1C ZINC000748961878 1299117371 /nfs/dbraw/zinc/11/73/71/1299117371.db2.gz XOXSYLNZLIMRAK-MSOLQXFVSA-N 2 0 340.556 3.013 20 0 EGADRP C[C@@H]1C[C@H](NCc2ccc(Cl)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000877076200 1299147270 /nfs/dbraw/zinc/14/72/70/1299147270.db2.gz NVIUZMGWGMZCFH-GDBMZVCRSA-N 2 0 330.863 3.273 20 0 EGADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000877137043 1299177558 /nfs/dbraw/zinc/17/75/58/1299177558.db2.gz QZDQUOHSRRLHKS-VQTJNVASSA-N 2 0 335.451 3.349 20 0 EGADRP [NH3+]CC1(CC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CCCCC1 ZINC000877450365 1299309934 /nfs/dbraw/zinc/30/99/34/1299309934.db2.gz GESNBTBIEXGOAP-HKUYNNGSSA-N 2 0 349.563 3.432 20 0 EGADRP CCOC(=O)N1CCC(C)(C[NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000877551731 1299392901 /nfs/dbraw/zinc/39/29/01/1299392901.db2.gz KWKYSLZRKNMZQI-UHFFFAOYSA-N 2 0 339.524 3.101 20 0 EGADRP C[NH+]1CCN(C2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000877747531 1299525427 /nfs/dbraw/zinc/52/54/27/1299525427.db2.gz PHXFMHBZWKSRRD-UHFFFAOYSA-N 2 0 339.483 3.158 20 0 EGADRP CCc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000751863632 1299638378 /nfs/dbraw/zinc/63/83/78/1299638378.db2.gz SJHYCRFYRAGWQZ-SFHVURJKSA-N 2 0 339.483 3.274 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC000752452216 1299738911 /nfs/dbraw/zinc/73/89/11/1299738911.db2.gz NOEXFGBFQRLVNM-UHFFFAOYSA-N 2 0 349.563 3.412 20 0 EGADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000754974993 1300259423 /nfs/dbraw/zinc/25/94/23/1300259423.db2.gz AVOJNBMBXHVSDB-UHFFFAOYSA-N 2 0 340.515 3.084 20 0 EGADRP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247063 1300451249 /nfs/dbraw/zinc/45/12/49/1300451249.db2.gz MADZOKKZCJFDQD-GOSISDBHSA-N 2 0 343.515 3.014 20 0 EGADRP Cc1sc(NC(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(C)c1C ZINC000879247293 1300451504 /nfs/dbraw/zinc/45/15/04/1300451504.db2.gz AHXQXEMQQGAKMC-UHFFFAOYSA-N 2 0 349.544 3.420 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000879247694 1300453185 /nfs/dbraw/zinc/45/31/85/1300453185.db2.gz GNTQNVKAFPJVNZ-UHFFFAOYSA-N 2 0 342.462 3.319 20 0 EGADRP FC[C@@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@H](CF)C3)ccc2F)C1 ZINC000880300153 1301038144 /nfs/dbraw/zinc/03/81/44/1301038144.db2.gz OVAWPMJTIUPVLQ-CVEARBPZSA-N 2 0 326.406 3.409 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000880517150 1301145266 /nfs/dbraw/zinc/14/52/66/1301145266.db2.gz JPLMFCCVZCWTAT-UHFFFAOYSA-N 2 0 344.455 3.197 20 0 EGADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880517344 1301145863 /nfs/dbraw/zinc/14/58/63/1301145863.db2.gz NOROZZBBEYBIAO-IBGZPJMESA-N 2 0 345.487 3.210 20 0 EGADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000760155057 1301227521 /nfs/dbraw/zinc/22/75/21/1301227521.db2.gz CBNDYEKNYPJWAT-LLVKDONJSA-N 2 0 334.291 3.195 20 0 EGADRP CCCCCCNC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760832155 1301347041 /nfs/dbraw/zinc/34/70/41/1301347041.db2.gz VSUKWXOHARYYTR-RTBURBONSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000765349807 1302251613 /nfs/dbraw/zinc/25/16/13/1302251613.db2.gz NOHQOHFCKDMBKE-VBNZEHGJSA-N 2 0 330.394 3.059 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000765872603 1302343682 /nfs/dbraw/zinc/34/36/82/1302343682.db2.gz XKVBIXFGOQSBLN-SMDDNHRTSA-N 2 0 329.257 3.203 20 0 EGADRP C[C@H]([NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000883383508 1302424487 /nfs/dbraw/zinc/42/44/87/1302424487.db2.gz AEINXPZJNUWUJA-LPHOPBHVSA-N 2 0 344.499 3.379 20 0 EGADRP C[C@@H]1C(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000766381251 1302442106 /nfs/dbraw/zinc/44/21/06/1302442106.db2.gz JWVMYYLQOCDGBV-FXAWDEMLSA-N 2 0 343.515 3.217 20 0 EGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000883434245 1302443544 /nfs/dbraw/zinc/44/35/44/1302443544.db2.gz KVSSQTLXEJKLHO-XKRYSZRTSA-N 2 0 344.499 3.125 20 0 EGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000766538326 1302473045 /nfs/dbraw/zinc/47/30/45/1302473045.db2.gz ZONUZLDOPRNHSW-QFBILLFUSA-N 2 0 344.503 3.188 20 0 EGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000768237604 1302862626 /nfs/dbraw/zinc/86/26/26/1302862626.db2.gz QZFSBUPPJGKAGG-UHFFFAOYSA-N 2 0 333.863 3.307 20 0 EGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CC(C(F)F)C3)cc2)C[C@@H](C)O1 ZINC000768676602 1302958438 /nfs/dbraw/zinc/95/84/38/1302958438.db2.gz PRJHUHMGTMESSQ-JDPPGYRCSA-N 2 0 338.442 3.429 20 0 EGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 ZINC000885907374 1303271547 /nfs/dbraw/zinc/27/15/47/1303271547.db2.gz CGDYMJATTGJGBP-FQEVSTJZSA-N 2 0 346.515 3.346 20 0 EGADRP C[NH+](Cc1nccs1)[C@H]1CC[C@H]([N@H+](C)Cc2nccs2)CC1 ZINC000886389492 1303453850 /nfs/dbraw/zinc/45/38/50/1303453850.db2.gz LLWJJXLYHKATLI-HDJSIYSDSA-N 2 0 336.530 3.475 20 0 EGADRP Cc1cc(C[NH+](C)[C@H]2CC[C@H]([N@H+](C)Cc3cc(C)on3)CC2)no1 ZINC000886386644 1303454340 /nfs/dbraw/zinc/45/43/40/1303454340.db2.gz ARVTWDUFKNHZEW-IYARVYRRSA-N 2 0 332.448 3.154 20 0 EGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000886545649 1303494517 /nfs/dbraw/zinc/49/45/17/1303494517.db2.gz PLMMQVSIAPYZET-LAUBAEHRSA-N 2 0 343.515 3.059 20 0 EGADRP CCC1([NH+]2CCC2)CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000887226261 1303706070 /nfs/dbraw/zinc/70/60/70/1303706070.db2.gz GJMLTOUUCSBCQQ-UHFFFAOYSA-N 2 0 344.503 3.230 20 0 EGADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775374369 1303948883 /nfs/dbraw/zinc/94/88/83/1303948883.db2.gz BGXNZMGWJUIRTK-IKGGRYGDSA-N 2 0 328.591 3.468 20 0 EGADRP c1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc2c1COC2 ZINC000780327764 1304678161 /nfs/dbraw/zinc/67/81/61/1304678161.db2.gz CQZQZTGFWSUSBG-UHFFFAOYSA-N 2 0 344.499 3.041 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000781423888 1304826445 /nfs/dbraw/zinc/82/64/45/1304826445.db2.gz UGZASGWFALXKFC-PSWRPDDJSA-N 2 0 341.543 3.361 20 0 EGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000783325236 1305080956 /nfs/dbraw/zinc/08/09/56/1305080956.db2.gz GLPKCYNNETWAHC-HZMVEIRTSA-N 2 0 339.524 3.142 20 0 EGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)C1 ZINC000892598989 1305460765 /nfs/dbraw/zinc/46/07/65/1305460765.db2.gz FOZNGPSNTAYQTC-ZRVNPNCUSA-N 2 0 348.556 3.165 20 0 EGADRP CCOC(CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)OCC ZINC000786971009 1305670317 /nfs/dbraw/zinc/67/03/17/1305670317.db2.gz PXLWIHNZDOVJHS-AEFFLSMTSA-N 2 0 326.525 3.408 20 0 EGADRP Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)c(OCC(F)(F)F)c1 ZINC000893156260 1305736503 /nfs/dbraw/zinc/73/65/03/1305736503.db2.gz BEXDARJPZWRWJU-UHFFFAOYSA-N 2 0 330.394 3.368 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788543514 1305967222 /nfs/dbraw/zinc/96/72/22/1305967222.db2.gz VSWGDQJTCJBQLB-KRWDZBQOSA-N 2 0 345.874 3.453 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CCC[C@@H](C)O)cc1C[NH+]1CCCCC1 ZINC000788606067 1305980475 /nfs/dbraw/zinc/98/04/75/1305980475.db2.gz UZBGESCQGDSGNL-IAGOWNOFSA-N 2 0 334.504 3.493 20 0 EGADRP CCc1ccc(-c2noc([C@@H](C)[NH2+]CC3CC[NH+](C)CC3)n2)cc1 ZINC000893975577 1306157994 /nfs/dbraw/zinc/15/79/94/1306157994.db2.gz GKOSXZLNTGFGAX-CQSZACIVSA-N 2 0 328.460 3.291 20 0 EGADRP C[N@H+]1C[C@@H]2C[NH+](CC(C)(C)c3ccc(Br)cc3)C[C@@H]2C1 ZINC000894082807 1306206888 /nfs/dbraw/zinc/20/68/88/1306206888.db2.gz ILWIAVOBARRJME-OKILXGFUSA-N 2 0 337.305 3.220 20 0 EGADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790749098 1308858977 /nfs/dbraw/zinc/85/89/77/1308858977.db2.gz CLAHTMZVVSWRGV-CVEARBPZSA-N 2 0 339.524 3.144 20 0 EGADRP O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c[nH+]cn2c1 ZINC000793129281 1309301751 /nfs/dbraw/zinc/30/17/51/1309301751.db2.gz MZGZTKLZTDKYNE-UHFFFAOYSA-N 2 0 349.434 3.403 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000895541599 1309391137 /nfs/dbraw/zinc/39/11/37/1309391137.db2.gz OUIMPYMISHLLLG-ROUUACIJSA-N 2 0 343.515 3.105 20 0 EGADRP Cc1cc([C@H](C)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565357 1309405832 /nfs/dbraw/zinc/40/58/32/1309405832.db2.gz KBJDWMZYYDAVOY-FXAWDEMLSA-N 2 0 326.488 3.291 20 0 EGADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCOC2(CCC2)C1 ZINC000895820643 1309536320 /nfs/dbraw/zinc/53/63/20/1309536320.db2.gz HQAYHNUWLSJAHO-IBGZPJMESA-N 2 0 329.488 3.379 20 0 EGADRP Clc1nc2cc(Cl)ccn2c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000796267800 1309948536 /nfs/dbraw/zinc/94/85/36/1309948536.db2.gz YZRCPFZQODHLBK-STQMWFEESA-N 2 0 339.270 3.358 20 0 EGADRP C(=C\C[N@@H+]1CC[C@H](c2ccccn2)C1)\C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799192910 1310506375 /nfs/dbraw/zinc/50/63/75/1310506375.db2.gz FBUHRQSRJYNRKS-XHHZUUQWSA-N 2 0 348.494 3.312 20 0 EGADRP C[C@@]1(C[NH2+][C@@H]2CCC23CCOCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000800490742 1310767884 /nfs/dbraw/zinc/76/78/84/1310767884.db2.gz JPCUWFYQGRZKEJ-UXHICEINSA-N 2 0 328.500 3.447 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)ccc2c[nH+]cn21 ZINC001019072130 1317032981 /nfs/dbraw/zinc/03/29/81/1317032981.db2.gz SSCFVGDKRIUMTR-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001019094930 1317041126 /nfs/dbraw/zinc/04/11/26/1317041126.db2.gz TVARZQLTKYYFCF-AZUAARDMSA-N 2 0 348.450 3.290 20 0 EGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900230221 1317255629 /nfs/dbraw/zinc/25/56/29/1317255629.db2.gz YWDIRQLEZIVYCN-WOJBJXKFSA-N 2 0 343.515 3.160 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019468321 1317262896 /nfs/dbraw/zinc/26/28/96/1317262896.db2.gz PNXVGXCUYMDOCC-VQTJNVASSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633339 1317507590 /nfs/dbraw/zinc/50/75/90/1317507590.db2.gz BBLGIXCBBHUNBV-OALUTQOASA-N 2 0 349.563 3.220 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001020151227 1317565299 /nfs/dbraw/zinc/56/52/99/1317565299.db2.gz POYWGWSVACEQOD-LWYYNNOASA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1([NH3+])CC1 ZINC000902407610 1317574786 /nfs/dbraw/zinc/57/47/86/1317574786.db2.gz RRNUNLLLBHWEFI-VIFPVBQESA-N 2 0 349.784 3.157 20 0 EGADRP CSc1ccc(Br)cc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000902431762 1317578032 /nfs/dbraw/zinc/57/80/32/1317578032.db2.gz ULJIDAYCXMJPLW-WDEREUQCSA-N 2 0 331.323 3.429 20 0 EGADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502490 1317584479 /nfs/dbraw/zinc/58/44/79/1317584479.db2.gz MWODAQRGVBSHIS-CAIZAGQASA-N 2 0 330.472 3.037 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020214179 1317596547 /nfs/dbraw/zinc/59/65/47/1317596547.db2.gz LCUDCTCODMVOHK-UFYCRDLUSA-N 2 0 349.563 3.458 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001020240038 1317604776 /nfs/dbraw/zinc/60/47/76/1317604776.db2.gz SIPOPPUMBHMPFV-BJLQDIEVSA-N 2 0 347.547 3.211 20 0 EGADRP CC[N@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000957767905 1317630689 /nfs/dbraw/zinc/63/06/89/1317630689.db2.gz CRDFYLNZYZKQEG-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1)C(C)C ZINC000957778098 1317642020 /nfs/dbraw/zinc/64/20/20/1317642020.db2.gz OVKWGTOFJKPLQB-UHFFFAOYSA-N 2 0 345.531 3.331 20 0 EGADRP c1ccc2c(c1)CC[NH+](CCCNC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903061828 1317644996 /nfs/dbraw/zinc/64/49/96/1317644996.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 2 0 339.527 3.182 20 0 EGADRP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(F)cc1 ZINC000903071702 1317647621 /nfs/dbraw/zinc/64/76/21/1317647621.db2.gz AFSYPYCBOZBQTR-ZNBHLAFESA-N 2 0 331.479 3.176 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000903074678 1317647894 /nfs/dbraw/zinc/64/78/94/1317647894.db2.gz WDGMYPAKMWVEAZ-HXUWFJFHSA-N 2 0 325.456 3.263 20 0 EGADRP CC(=O)OCc1cccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000903083391 1317649189 /nfs/dbraw/zinc/64/91/89/1317649189.db2.gz GJNJYCXJTFIQSM-HNNXBMFYSA-N 2 0 330.472 3.417 20 0 EGADRP c1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)OCCCO2 ZINC000903087603 1317651146 /nfs/dbraw/zinc/65/11/46/1317651146.db2.gz DTEKOTLVZAXMQY-ZNXRZULTSA-N 2 0 328.456 3.095 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020339526 1317651794 /nfs/dbraw/zinc/65/17/94/1317651794.db2.gz SKBRZSISVGHQNK-VBSBHUPXSA-N 2 0 343.515 3.105 20 0 EGADRP c1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903098928 1317653403 /nfs/dbraw/zinc/65/34/03/1317653403.db2.gz VSMDGNWLHSVGOQ-IZBPLUDHSA-N 2 0 325.500 3.403 20 0 EGADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1c(F)cccc1Cl ZINC000903121454 1317656896 /nfs/dbraw/zinc/65/68/96/1317656896.db2.gz RAVWHKFQBXRBRT-HOWNWNINSA-N 2 0 338.854 3.260 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)c1ccccc1 ZINC001020353112 1317657328 /nfs/dbraw/zinc/65/73/28/1317657328.db2.gz PNWIBNNPBWBIGK-QWFCFKBJSA-N 2 0 348.450 3.336 20 0 EGADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903179683 1317668752 /nfs/dbraw/zinc/66/87/52/1317668752.db2.gz SRXVMBGQJFYKKN-YTTRVJOFSA-N 2 0 337.508 3.037 20 0 EGADRP C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000903240017 1317679283 /nfs/dbraw/zinc/67/92/83/1317679283.db2.gz SJWJMVWHUUIECJ-HNNXBMFYSA-N 2 0 347.503 3.456 20 0 EGADRP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001020432189 1317695419 /nfs/dbraw/zinc/69/54/19/1317695419.db2.gz FJGMAMHDDVEGEV-UFYCRDLUSA-N 2 0 347.547 3.068 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001020463086 1317707350 /nfs/dbraw/zinc/70/73/50/1317707350.db2.gz UTFFZHBZJNEDQF-WDSOQIARSA-N 2 0 343.515 3.167 20 0 EGADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001020463088 1317707639 /nfs/dbraw/zinc/70/76/39/1317707639.db2.gz UXAOKWXICLMNNS-GUDVDZBRSA-N 2 0 343.515 3.249 20 0 EGADRP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903717901 1317724626 /nfs/dbraw/zinc/72/46/26/1317724626.db2.gz FOAQPEAADMZYSC-WOJBJXKFSA-N 2 0 344.499 3.381 20 0 EGADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733250 1317726723 /nfs/dbraw/zinc/72/67/23/1317726723.db2.gz JCRFTFCDNWNCRJ-SZVBFZGTSA-N 2 0 332.463 3.162 20 0 EGADRP c1ccc(-c2noc(C3CC[NH+](C[C@@H]4CCCC[NH2+]C4)CC3)n2)cc1 ZINC000903730266 1317726823 /nfs/dbraw/zinc/72/68/23/1317726823.db2.gz VCVFIJSQPHSHKE-MRXNPFEDSA-N 2 0 340.471 3.306 20 0 EGADRP C[C@@H]1C[C@@H](N(C)C[C@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000903739130 1317728304 /nfs/dbraw/zinc/72/83/04/1317728304.db2.gz CRJADZKHFJFRON-GIVPXCGWSA-N 2 0 329.532 3.361 20 0 EGADRP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735413 1317728427 /nfs/dbraw/zinc/72/84/27/1317728427.db2.gz ZSEBTLDPZQECFP-GJYPPUQNSA-N 2 0 332.463 3.367 20 0 EGADRP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)O1 ZINC000903769197 1317731347 /nfs/dbraw/zinc/73/13/47/1317731347.db2.gz ZMNJLAPXTGXFRK-PMPSAXMXSA-N 2 0 334.426 3.198 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000903782003 1317733205 /nfs/dbraw/zinc/73/32/05/1317733205.db2.gz CUFRRQAMBLYQAI-YZGWKJHDSA-N 2 0 328.500 3.271 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001020508895 1317734302 /nfs/dbraw/zinc/73/43/02/1317734302.db2.gz GABSLSINWMMDGT-PJVZLEMVSA-N 2 0 343.515 3.023 20 0 EGADRP CC(C)c1noc([C@@H](C)[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903794347 1317736029 /nfs/dbraw/zinc/73/60/29/1317736029.db2.gz RAVDSSLRFCZCNV-OAHLLOKOSA-N 2 0 328.460 3.247 20 0 EGADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000903887328 1317741504 /nfs/dbraw/zinc/74/15/04/1317741504.db2.gz YRFWGABBATWLIG-LJQANCHMSA-N 2 0 339.487 3.005 20 0 EGADRP CCOc1cc(C[NH2+]CCC(C)(C)[NH3+])cc(Br)c1OC ZINC000903940806 1317751814 /nfs/dbraw/zinc/75/18/14/1317751814.db2.gz FCTZWYKPQGPSTE-UHFFFAOYSA-N 2 0 345.281 3.073 20 0 EGADRP COc1ccccc1COC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904345263 1317833806 /nfs/dbraw/zinc/83/38/06/1317833806.db2.gz GFMMYRDXJKFHLL-FQEVSTJZSA-N 2 0 332.488 3.066 20 0 EGADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904343864 1317834169 /nfs/dbraw/zinc/83/41/69/1317834169.db2.gz YEFMTGNHYUBTCW-HXUWFJFHSA-N 2 0 326.488 3.371 20 0 EGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904371545 1317837766 /nfs/dbraw/zinc/83/77/66/1317837766.db2.gz QDFMLLOCPSBHRR-SJORKVTESA-N 2 0 342.405 3.482 20 0 EGADRP CC(=O)Nc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416982 1317845030 /nfs/dbraw/zinc/84/50/30/1317845030.db2.gz VWSPSHBRMKJVIK-KRWDZBQOSA-N 2 0 329.488 3.247 20 0 EGADRP Cc1ccc(F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475714 1317851685 /nfs/dbraw/zinc/85/16/85/1317851685.db2.gz QBQPHRXSAZTKNO-QUCCMNQESA-N 2 0 326.415 3.480 20 0 EGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000904661230 1317878670 /nfs/dbraw/zinc/87/86/70/1317878670.db2.gz VZYNXYXOUKMCIA-QGZVFWFLSA-N 2 0 344.503 3.121 20 0 EGADRP CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737980 1317885115 /nfs/dbraw/zinc/88/51/15/1317885115.db2.gz OLDYNFDHOZLXLM-UHFFFAOYSA-N 2 0 328.504 3.239 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC001020750660 1317903921 /nfs/dbraw/zinc/90/39/21/1317903921.db2.gz VSWYVAXMJUYMHV-MXVIHJGJSA-N 2 0 343.515 3.179 20 0 EGADRP C[C@@](O)(C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(F)F ZINC000905110833 1317924202 /nfs/dbraw/zinc/92/42/02/1317924202.db2.gz RNHGQCVEFLPAIB-GOSISDBHSA-N 2 0 326.431 3.168 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021308308 1318180927 /nfs/dbraw/zinc/18/09/27/1318180927.db2.gz ZSNOPFCSBSWOEG-NXEWRWPSSA-N 2 0 347.547 3.019 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960033913 1318320345 /nfs/dbraw/zinc/32/03/45/1318320345.db2.gz VGUZLPWCXZAPGB-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC000960098537 1318353514 /nfs/dbraw/zinc/35/35/14/1318353514.db2.gz SZEOPOOZSNKBSE-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC000960171068 1318394636 /nfs/dbraw/zinc/39/46/36/1318394636.db2.gz WXYVAVVTNZDPKQ-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC000960187027 1318400202 /nfs/dbraw/zinc/40/02/02/1318400202.db2.gz BXPCGQBSAWMHFM-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP Cc1c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]C(C)C)ccc2c[nH+]cn21 ZINC000960274922 1318438793 /nfs/dbraw/zinc/43/87/93/1318438793.db2.gz GOQBXLZRGYBVRH-WOJBJXKFSA-N 2 0 348.450 3.037 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705966 1318579115 /nfs/dbraw/zinc/57/91/15/1318579115.db2.gz HQQQIGAYNULPIJ-VQTJNVASSA-N 2 0 349.563 3.076 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960631024 1318756341 /nfs/dbraw/zinc/75/63/41/1318756341.db2.gz ZLDICYNDAMAKFD-RBUKOAKNSA-N 2 0 349.563 3.218 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022071560 1318787765 /nfs/dbraw/zinc/78/77/65/1318787765.db2.gz TYVLJORJSXKZGK-FTEYMNFISA-N 2 0 343.515 3.166 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022070261 1318787816 /nfs/dbraw/zinc/78/78/16/1318787816.db2.gz TYIRPINWKSJXRK-CEXWTWQISA-N 2 0 349.563 3.312 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001022293094 1318880102 /nfs/dbraw/zinc/88/01/02/1318880102.db2.gz QSPYOKIMTBKVPB-FTEYMNFISA-N 2 0 343.515 3.086 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001022601267 1319009799 /nfs/dbraw/zinc/00/97/99/1319009799.db2.gz IOCZUTUZHYNEDT-CZKCSJLSSA-N 2 0 343.515 3.023 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960868275 1319011908 /nfs/dbraw/zinc/01/19/08/1319011908.db2.gz ZUMVPIRTPUNOAL-IBGZPJMESA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)c1ccccc1Cl ZINC001022712669 1319079070 /nfs/dbraw/zinc/07/90/70/1319079070.db2.gz XFDWZCNGBFLXON-XUWVNRHRSA-N 2 0 349.906 3.122 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[N@H+](C)CC2=CCCCC2)CC1 ZINC000960940275 1319079351 /nfs/dbraw/zinc/07/93/51/1319079351.db2.gz MNUUAXUKJVVWJU-FQEVSTJZSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001022807882 1319118667 /nfs/dbraw/zinc/11/86/67/1319118667.db2.gz OKSQDTHUXMHVEW-YTQUADARSA-N 2 0 347.547 3.068 20 0 EGADRP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029818 1319154691 /nfs/dbraw/zinc/15/46/91/1319154691.db2.gz ZRBXTZARCOSOGC-FQEVSTJZSA-N 2 0 347.547 3.286 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001022956688 1319187382 /nfs/dbraw/zinc/18/73/82/1319187382.db2.gz CEQKZVMSRVCIFW-HSALFYBXSA-N 2 0 343.515 3.078 20 0 EGADRP CCCn1ccnc1CCC[N@H+](C)CN1CCC(CC)(CC)C1=O ZINC000817362744 1319338384 /nfs/dbraw/zinc/33/83/84/1319338384.db2.gz XTWVWOLMJGWHPW-UHFFFAOYSA-N 2 0 334.508 3.154 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288483 1319447251 /nfs/dbraw/zinc/44/72/51/1319447251.db2.gz WZOYARNXMHTKKZ-OALUTQOASA-N 2 0 349.563 3.079 20 0 EGADRP Cc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc(=O)oc2c1C ZINC000817880546 1319451498 /nfs/dbraw/zinc/45/14/98/1319451498.db2.gz YKYUQMHCANSVHE-KEYYUXOJSA-N 2 0 328.456 3.215 20 0 EGADRP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)c2cc1C ZINC000817880478 1319451743 /nfs/dbraw/zinc/45/17/43/1319451743.db2.gz VYQCGQZFMHDFFG-VYDXJSESSA-N 2 0 328.456 3.215 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000817894573 1319452769 /nfs/dbraw/zinc/45/27/69/1319452769.db2.gz MTIGXGCOICVRPX-VLIAUNLRSA-N 2 0 343.471 3.020 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900010 1319455611 /nfs/dbraw/zinc/45/56/11/1319455611.db2.gz JMQBPNDHQLRXDQ-WYNBGMTASA-N 3 0 329.532 3.332 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000817905764 1319456371 /nfs/dbraw/zinc/45/63/71/1319456371.db2.gz NRWSWBSWWRTERS-QLJPJBMISA-N 2 0 337.826 3.025 20 0 EGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817905455 1319457261 /nfs/dbraw/zinc/45/72/61/1319457261.db2.gz NMMDSQIMRLHBSJ-IONDEXAJSA-N 2 0 330.447 3.186 20 0 EGADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000817922690 1319461899 /nfs/dbraw/zinc/46/18/99/1319461899.db2.gz KIEPZSMDFIDICT-FZDIXFNVSA-N 2 0 336.907 3.448 20 0 EGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922389 1319462276 /nfs/dbraw/zinc/46/22/76/1319462276.db2.gz DQAKYIDDCZCGKI-FOXKFOACSA-N 2 0 338.495 3.365 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000817922137 1319462314 /nfs/dbraw/zinc/46/23/14/1319462314.db2.gz RKPAEZOWOFAAMS-WBVHZDCISA-N 2 0 331.460 3.044 20 0 EGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817928276 1319462788 /nfs/dbraw/zinc/46/27/88/1319462788.db2.gz ZKYJMDZSEVFARU-OAUYIBNBSA-N 2 0 328.859 3.413 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817954755 1319475102 /nfs/dbraw/zinc/47/51/02/1319475102.db2.gz INGIEGQUUZWWPJ-MSOLQXFVSA-N 3 0 345.531 3.331 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023364881 1319476828 /nfs/dbraw/zinc/47/68/28/1319476828.db2.gz RXUXKYYRHTZEQJ-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817968698 1319480747 /nfs/dbraw/zinc/48/07/47/1319480747.db2.gz WBFPXGINLMZLCZ-QGZVFWFLSA-N 3 0 343.515 3.251 20 0 EGADRP CC(C)c1ccc(C2(O)CCC([NH2+]CC3=CC[NH2+]CC3)CC2)cc1 ZINC000817967832 1319481018 /nfs/dbraw/zinc/48/10/18/1319481018.db2.gz MKBDOCBCEZFDJE-UHFFFAOYSA-N 2 0 328.500 3.450 20 0 EGADRP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414263 1319517959 /nfs/dbraw/zinc/51/79/59/1319517959.db2.gz PAIGJXDMBZHGGO-UYAOXDASSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023457351 1319559487 /nfs/dbraw/zinc/55/94/87/1319559487.db2.gz NMIQHLXHRLNFOE-WOJBJXKFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000818961183 1319591709 /nfs/dbraw/zinc/59/17/09/1319591709.db2.gz NYGOZFQDOLSSIV-SPYBWZPUSA-N 2 0 340.458 3.346 20 0 EGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818961224 1319592742 /nfs/dbraw/zinc/59/27/42/1319592742.db2.gz OJPBNZFJZPRZLD-RKVPGOIHSA-N 2 0 340.458 3.346 20 0 EGADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000818970674 1319596522 /nfs/dbraw/zinc/59/65/22/1319596522.db2.gz XUADIMKTYOQNAN-CXAGYDPISA-N 2 0 328.859 3.224 20 0 EGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000818987551 1319607225 /nfs/dbraw/zinc/60/72/25/1319607225.db2.gz ZJMQARBLLOPAEI-LJQANCHMSA-N 2 0 348.487 3.422 20 0 EGADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000819011479 1319613475 /nfs/dbraw/zinc/61/34/75/1319613475.db2.gz QUMDQBFABRUXRR-IBGZPJMESA-N 2 0 348.874 3.104 20 0 EGADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)c3ccccc3F)CC2)CC1 ZINC000819187510 1319661970 /nfs/dbraw/zinc/66/19/70/1319661970.db2.gz LWSIPWGPIOOOGI-UHYCVJNDSA-N 2 0 334.479 3.492 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023561024 1319673364 /nfs/dbraw/zinc/67/33/64/1319673364.db2.gz WRXATCXWNQGXSO-MRXNPFEDSA-N 2 0 349.519 3.219 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023761842 1319909056 /nfs/dbraw/zinc/90/90/56/1319909056.db2.gz KMABBJYAVPHCPT-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(C[NH+](C)C)c1 ZINC000820808006 1319957529 /nfs/dbraw/zinc/95/75/29/1319957529.db2.gz VSENJIQEWBXYDH-GOEBONIOSA-N 2 0 343.437 3.283 20 0 EGADRP COc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000820810170 1319958568 /nfs/dbraw/zinc/95/85/68/1319958568.db2.gz QQZNRKFHYJWALF-FOIQADDNSA-N 2 0 328.456 3.141 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@@H](O)Cc1ccccc1 ZINC000820824813 1319963584 /nfs/dbraw/zinc/96/35/84/1319963584.db2.gz VOJVCWHQJYXPNV-FVJLSDCUSA-N 2 0 326.484 3.391 20 0 EGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000822455948 1320083541 /nfs/dbraw/zinc/08/35/41/1320083541.db2.gz NGBDAMNVNXKBFS-BRWVUGGUSA-N 2 0 339.524 3.096 20 0 EGADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000825409820 1320336417 /nfs/dbraw/zinc/33/64/17/1320336417.db2.gz LFYZCZWFFZJXFG-QGZVFWFLSA-N 2 0 347.503 3.116 20 0 EGADRP Cc1cc(NC(=O)CCCC[NH+]2CCCC2)ccc1OCC[NH+](C)C ZINC000838176950 1320740629 /nfs/dbraw/zinc/74/06/29/1320740629.db2.gz JRJATJBWBZDTTN-UHFFFAOYSA-N 2 0 347.503 3.140 20 0 EGADRP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000838909539 1320833419 /nfs/dbraw/zinc/83/34/19/1320833419.db2.gz XKQGWDOUOKPNNJ-SFHVURJKSA-N 2 0 331.847 3.027 20 0 EGADRP c1nnc(C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)[nH]1 ZINC000839503574 1320929457 /nfs/dbraw/zinc/92/94/57/1320929457.db2.gz UGIBLAJFYPJVCE-UHFFFAOYSA-N 2 0 339.487 3.170 20 0 EGADRP [NH3+]CCc1ccc(C[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000841034724 1321205017 /nfs/dbraw/zinc/20/50/17/1321205017.db2.gz DOFNDMOEWPZCNA-UHFFFAOYSA-N 2 0 337.236 3.379 20 0 EGADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000841081740 1321215204 /nfs/dbraw/zinc/21/52/04/1321215204.db2.gz XZUWNASWJADKCK-AWEZNQCLSA-N 2 0 334.895 3.419 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2F)cc1 ZINC000859214224 1328947659 /nfs/dbraw/zinc/94/76/59/1328947659.db2.gz OBZLSKBDZKOZJE-UHFFFAOYSA-N 2 0 343.446 3.348 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000859211722 1328947144 /nfs/dbraw/zinc/94/71/44/1328947144.db2.gz CAAQQTUSHHPWKE-UHFFFAOYSA-N 2 0 343.446 3.348 20 0 EGADRP Cc1cccc(C(=O)N2CCC[N@H+](CCCCCCC[NH3+])CC2)c1 ZINC000842471647 1321392734 /nfs/dbraw/zinc/39/27/34/1321392734.db2.gz OPMURFANBGWNAY-UHFFFAOYSA-N 2 0 331.504 3.052 20 0 EGADRP Cc1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1C ZINC000842474130 1321393790 /nfs/dbraw/zinc/39/37/90/1321393790.db2.gz GBRJDTHWXKZNRL-QFBILLFUSA-N 2 0 340.467 3.374 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000842509836 1321398552 /nfs/dbraw/zinc/39/85/52/1321398552.db2.gz IQDALYMRYWYQRM-UHFFFAOYSA-N 2 0 338.521 3.061 20 0 EGADRP CC1CC[NH+](Cc2ccc(-c3noc(C(C)(C)C[NH3+])n3)cc2)CC1 ZINC000843201292 1321486639 /nfs/dbraw/zinc/48/66/39/1321486639.db2.gz YWANPXBESZHBAS-UHFFFAOYSA-N 2 0 328.460 3.205 20 0 EGADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000843342284 1321502237 /nfs/dbraw/zinc/50/22/37/1321502237.db2.gz LNJBJRJWYLFQEW-QTDMDRALSA-N 2 0 329.271 3.005 20 0 EGADRP c1cc(N2CCCCC2)ccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843342527 1321502664 /nfs/dbraw/zinc/50/26/64/1321502664.db2.gz NBSZPUIYMHMSPV-SLFFLAALSA-N 2 0 327.516 3.197 20 0 EGADRP CC[C@H](NC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000843355419 1321505268 /nfs/dbraw/zinc/50/52/68/1321505268.db2.gz NZNDSPBZRHJMQH-JCYILVPMSA-N 2 0 337.895 3.109 20 0 EGADRP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843385716 1321509194 /nfs/dbraw/zinc/50/91/94/1321509194.db2.gz FBUGEKZMUJVMTM-MRXNPFEDSA-N 2 0 343.515 3.387 20 0 EGADRP CCc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cc(=O)oc2c1 ZINC000846226430 1321778562 /nfs/dbraw/zinc/77/85/62/1321778562.db2.gz NASNLVGFJKBLMH-KDOFPFPSSA-N 2 0 328.456 3.305 20 0 EGADRP CC(C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCC(C)CC1 ZINC000849058475 1322061764 /nfs/dbraw/zinc/06/17/64/1322061764.db2.gz BHYNJAWZFRBMNT-LJQANCHMSA-N 2 0 330.520 3.100 20 0 EGADRP Cc1ccc(CNC(=[NH2+])NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000849062416 1322063587 /nfs/dbraw/zinc/06/35/87/1322063587.db2.gz HFNRNKQCTNDGHG-UHFFFAOYSA-N 2 0 336.483 3.057 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000849066421 1322063787 /nfs/dbraw/zinc/06/37/87/1322063787.db2.gz WSWKBIJJLHGEHD-KRWDZBQOSA-N 2 0 341.503 3.191 20 0 EGADRP Cc1ccc([C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000849066651 1322064259 /nfs/dbraw/zinc/06/42/59/1322064259.db2.gz LDXXSFVZHZZCFX-HKUYNNGSSA-N 2 0 328.504 3.388 20 0 EGADRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000849075788 1322068110 /nfs/dbraw/zinc/06/81/10/1322068110.db2.gz LJSVGVHIIMYNEG-YLJYHZDGSA-N 2 0 328.504 3.155 20 0 EGADRP C[NH+](C)CC(C)(C)CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083547 1322072127 /nfs/dbraw/zinc/07/21/27/1322072127.db2.gz XKZVSIXSHWQPBS-UHFFFAOYSA-N 2 0 332.370 3.109 20 0 EGADRP COC1CC[NH+](C(C)(C)CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000849102097 1322079430 /nfs/dbraw/zinc/07/94/30/1322079430.db2.gz VQUUXLSXWBUOMB-UHFFFAOYSA-N 2 0 332.492 3.129 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000920768909 1322220221 /nfs/dbraw/zinc/22/02/21/1322220221.db2.gz LLRDOOGCZRPITL-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850420072 1322243775 /nfs/dbraw/zinc/24/37/75/1322243775.db2.gz LIKGKCSMGHDKAQ-UHFFFAOYSA-N 2 0 339.524 3.001 20 0 EGADRP Cc1nn(C)c(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1Cl ZINC000921545565 1322346997 /nfs/dbraw/zinc/34/69/97/1322346997.db2.gz YCMCYOPWVZDJMX-ZIAGYGMSSA-N 2 0 326.916 3.230 20 0 EGADRP c1nn(C2CCC2)cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000922243145 1322486584 /nfs/dbraw/zinc/48/65/84/1322486584.db2.gz KLVGJSVYUNLINE-UHFFFAOYSA-N 2 0 339.487 3.005 20 0 EGADRP CCC[N@H+](CC)Cc1ccc(C(=O)OCc2cccnc2N)cc1 ZINC000922483138 1322539230 /nfs/dbraw/zinc/53/92/30/1322539230.db2.gz PVSHFCOJQUYAQD-UHFFFAOYSA-N 2 0 327.428 3.253 20 0 EGADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000922502683 1322543849 /nfs/dbraw/zinc/54/38/49/1322543849.db2.gz GAOZJWUNXAKYRO-UHFFFAOYSA-N 2 0 330.451 3.360 20 0 EGADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000922846952 1322631844 /nfs/dbraw/zinc/63/18/44/1322631844.db2.gz ICRJIVZVYWDUSR-UHFFFAOYSA-N 2 0 332.879 3.484 20 0 EGADRP c1cc2c(cccc2N2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)[nH]1 ZINC000923402611 1322745825 /nfs/dbraw/zinc/74/58/25/1322745825.db2.gz HYOJDEYGJUOPPQ-AYHJJNSGSA-N 2 0 338.499 3.211 20 0 EGADRP C(C[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1)[C@H]1CCC[NH2+]C1 ZINC000923442756 1322752963 /nfs/dbraw/zinc/75/29/63/1322752963.db2.gz TXUFGWRYPCGSRY-MRXNPFEDSA-N 2 0 333.545 3.276 20 0 EGADRP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481855 1322760205 /nfs/dbraw/zinc/76/02/05/1322760205.db2.gz MUJBRRLJDRAMSF-TZMCWYRMSA-N 2 0 334.851 3.046 20 0 EGADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000923489672 1322760444 /nfs/dbraw/zinc/76/04/44/1322760444.db2.gz GCBJGDBREJCXRC-MRXNPFEDSA-N 2 0 339.439 3.088 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001023995216 1323068116 /nfs/dbraw/zinc/06/81/16/1323068116.db2.gz LGNQNTLBZCLZPW-HSALFYBXSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnnn1-c1ccccc1 ZINC000924688270 1323113892 /nfs/dbraw/zinc/11/38/92/1323113892.db2.gz SIWBMPOEEPZUHF-QZTJIDSGSA-N 2 0 341.503 3.430 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024156401 1323178720 /nfs/dbraw/zinc/17/87/20/1323178720.db2.gz MWNFOTBRGYSTHZ-AZUAARDMSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1(Br)CC1 ZINC000924862239 1323191051 /nfs/dbraw/zinc/19/10/51/1323191051.db2.gz PVMBETGCKSBQQK-CYBMUJFWSA-N 2 0 341.293 3.033 20 0 EGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924967252 1323232265 /nfs/dbraw/zinc/23/22/65/1323232265.db2.gz WGSRBEQHLVTABW-KRWDZBQOSA-N 2 0 342.487 3.020 20 0 EGADRP FC(F)(F)c1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852744487 1323235001 /nfs/dbraw/zinc/23/50/01/1323235001.db2.gz BOCKEUOCANQHHS-BBRMVZONSA-N 2 0 340.389 3.363 20 0 EGADRP C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925058304 1323260030 /nfs/dbraw/zinc/26/00/30/1323260030.db2.gz XSNCGOUNVWMNJP-LAUBAEHRSA-N 2 0 345.531 3.042 20 0 EGADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccn1 ZINC000853098275 1323281720 /nfs/dbraw/zinc/28/17/20/1323281720.db2.gz LWIGCTDELDJTBU-OAQYLSRUSA-N 2 0 339.483 3.281 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001024366703 1323339653 /nfs/dbraw/zinc/33/96/53/1323339653.db2.gz UTHUIZWOATYUQX-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024437870 1323398425 /nfs/dbraw/zinc/39/84/25/1323398425.db2.gz XVURNPSBZZPVTD-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCCC2)CC[N@@H+]1C ZINC001024446934 1323406045 /nfs/dbraw/zinc/40/60/45/1323406045.db2.gz LSAZSRMLANNVFX-YZGWKJHDSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024478934 1323431070 /nfs/dbraw/zinc/43/10/70/1323431070.db2.gz VXDHUPJCTUUQNX-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001024502265 1323449715 /nfs/dbraw/zinc/44/97/15/1323449715.db2.gz LLCYYFWGWICZRF-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571343 1323508718 /nfs/dbraw/zinc/50/87/18/1323508718.db2.gz YGYVBEHUZKIKQX-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617072 1323545997 /nfs/dbraw/zinc/54/59/97/1323545997.db2.gz AVJFPNVKAPLSED-RTBURBONSA-N 2 0 335.536 3.164 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024692576 1323608583 /nfs/dbraw/zinc/60/85/83/1323608583.db2.gz PBRHEAKGKNNWIV-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810935 1323713587 /nfs/dbraw/zinc/71/35/87/1323713587.db2.gz LJRCAUDZAFHFCT-FQEVSTJZSA-N 2 0 345.531 3.379 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024813707 1323715682 /nfs/dbraw/zinc/71/56/82/1323715682.db2.gz FCGMCEPYNFIKRC-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024814149 1323718154 /nfs/dbraw/zinc/71/81/54/1323718154.db2.gz ORKLSYDZKXEAJK-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001024984651 1323813004 /nfs/dbraw/zinc/81/30/04/1323813004.db2.gz HSDAJIAJBKJYDB-VQTJNVASSA-N 2 0 347.547 3.164 20 0 EGADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001024984649 1323813298 /nfs/dbraw/zinc/81/32/98/1323813298.db2.gz HSDAJIAJBKJYDB-PMACEKPBSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025008778 1323823936 /nfs/dbraw/zinc/82/39/36/1323823936.db2.gz BGSWRELWGUDADV-WOJBJXKFSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001025104995 1323897218 /nfs/dbraw/zinc/89/72/18/1323897218.db2.gz KTVDUTXOCXWPPE-IEBWSBKVSA-N 2 0 335.536 3.022 20 0 EGADRP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1C[NH+](C)C ZINC001025300842 1324133514 /nfs/dbraw/zinc/13/35/14/1324133514.db2.gz GIJDESBGGQURPI-VQTJNVASSA-N 2 0 343.515 3.227 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431833 1324269225 /nfs/dbraw/zinc/26/92/25/1324269225.db2.gz CYLVLFBURKDUKS-HUUCEWRRSA-N 2 0 337.533 3.050 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025585811 1324427414 /nfs/dbraw/zinc/42/74/14/1324427414.db2.gz SLWWADHEWCDSOM-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629661 1324481448 /nfs/dbraw/zinc/48/14/48/1324481448.db2.gz IOCSIYCLWJRCGL-ZWKOTPCHSA-N 2 0 345.531 3.235 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630797 1324483532 /nfs/dbraw/zinc/48/35/32/1324483532.db2.gz WMXBVJQXADHLEV-ROUUACIJSA-N 2 0 345.531 3.379 20 0 EGADRP COc1cccc([C@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000860144350 1329157766 /nfs/dbraw/zinc/15/77/66/1329157766.db2.gz XACHRQJYYONJMZ-PZJWPPBQSA-N 2 0 346.515 3.315 20 0 EGADRP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001026605925 1324927487 /nfs/dbraw/zinc/92/74/87/1324927487.db2.gz KBNDMOSZBIYXHO-UHFFFAOYSA-N 2 0 347.547 3.070 20 0 EGADRP CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925131845 1325057092 /nfs/dbraw/zinc/05/70/92/1325057092.db2.gz DPXPBNZJANVNCS-UZLBHIALSA-N 2 0 328.456 3.426 20 0 EGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ncco1 ZINC000925223115 1325086910 /nfs/dbraw/zinc/08/69/10/1325086910.db2.gz VDAIAEBPPAKXRQ-KRWDZBQOSA-N 2 0 343.471 3.397 20 0 EGADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C2)CC1 ZINC000853504723 1325106563 /nfs/dbraw/zinc/10/65/63/1325106563.db2.gz ODVDAOKFJXNLFY-PMACEKPBSA-N 2 0 347.547 3.036 20 0 EGADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963327105 1325109522 /nfs/dbraw/zinc/10/95/22/1325109522.db2.gz OPFBQLRVZUGHMI-UHFFFAOYSA-N 2 0 349.563 3.410 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328708 1325113212 /nfs/dbraw/zinc/11/32/12/1325113212.db2.gz RTRWEPYXSUGLMH-RTBURBONSA-N 2 0 347.547 3.118 20 0 EGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925286054 1325114626 /nfs/dbraw/zinc/11/46/26/1325114626.db2.gz YSKVDIKMRYRBGR-DZFGPLHGSA-N 2 0 345.531 3.042 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000963337324 1325126983 /nfs/dbraw/zinc/12/69/83/1325126983.db2.gz NWRBQSYCENIXEU-LPHOPBHVSA-N 2 0 340.471 3.061 20 0 EGADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)Oc1ccccc1C ZINC000925498486 1325177536 /nfs/dbraw/zinc/17/75/36/1325177536.db2.gz GUKBFRFWJHUMLJ-RAFMOHDBSA-N 2 0 346.515 3.384 20 0 EGADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925550823 1325203467 /nfs/dbraw/zinc/20/34/67/1325203467.db2.gz CVENNYSMECGDCE-GBESFXJTSA-N 2 0 343.515 3.032 20 0 EGADRP CCNC(=O)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925550717 1325203967 /nfs/dbraw/zinc/20/39/67/1325203967.db2.gz NTWORAAECIKSJR-IBGZPJMESA-N 2 0 325.456 3.006 20 0 EGADRP [NH3+]CCC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000925550392 1325203994 /nfs/dbraw/zinc/20/39/94/1325203994.db2.gz LWOCOGLENZTTHA-NRFANRHFSA-N 2 0 334.467 3.485 20 0 EGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556073 1325207193 /nfs/dbraw/zinc/20/71/93/1325207193.db2.gz JTLXPDMOSMBOPR-HHUCQEJWSA-N 2 0 327.516 3.003 20 0 EGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000925561881 1325210006 /nfs/dbraw/zinc/21/00/06/1325210006.db2.gz MFMKTPBBZIRKAO-ZVBHREPYSA-N 2 0 328.504 3.068 20 0 EGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221399 1325230400 /nfs/dbraw/zinc/23/04/00/1325230400.db2.gz LQLKABBGIHLMTO-SPLOXXLWSA-N 2 0 335.451 3.386 20 0 EGADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000925618362 1325232956 /nfs/dbraw/zinc/23/29/56/1325232956.db2.gz ZVDSHXLULNYENI-LNLFQRSKSA-N 2 0 326.488 3.371 20 0 EGADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c2ccccc21 ZINC000925624794 1325236645 /nfs/dbraw/zinc/23/66/45/1325236645.db2.gz CFTQUWYNYQARDM-AABGKKOBSA-N 2 0 341.499 3.242 20 0 EGADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(c3ccc(F)c(Cl)c3)C1)[NH2+]2 ZINC000925628815 1325238231 /nfs/dbraw/zinc/23/82/31/1325238231.db2.gz JOZMGJUPJQWUEV-YXCOWNBQSA-N 2 0 337.870 3.176 20 0 EGADRP COc1ccccc1-c1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925716799 1325268513 /nfs/dbraw/zinc/26/85/13/1325268513.db2.gz QEINFQSEVDKRRV-UONOGXRCSA-N 2 0 329.444 3.346 20 0 EGADRP Clc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000925774343 1325293984 /nfs/dbraw/zinc/29/39/84/1325293984.db2.gz UQISOBFJULJTAP-KBRIMQKVSA-N 2 0 343.298 3.283 20 0 EGADRP c1ccc([C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)nc1 ZINC000925824259 1325317026 /nfs/dbraw/zinc/31/70/26/1325317026.db2.gz WFFDDBSXWDFUOR-HMXCVIKNSA-N 2 0 335.451 3.378 20 0 EGADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872498 1325337756 /nfs/dbraw/zinc/33/77/56/1325337756.db2.gz VDDIQJHUCBGJCS-OPYAIIAOSA-N 2 0 335.451 3.305 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000963907722 1325431300 /nfs/dbraw/zinc/43/13/00/1325431300.db2.gz JVBYTFJKYVEKJM-KKXNLOMOSA-N 2 0 349.563 3.410 20 0 EGADRP Cc1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000926125078 1325439172 /nfs/dbraw/zinc/43/91/72/1325439172.db2.gz JYLPASXEVJGJRZ-SFTDATJTSA-N 2 0 336.479 3.339 20 0 EGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926201490 1325467240 /nfs/dbraw/zinc/46/72/40/1325467240.db2.gz DFZJZCVVGVBASI-SJORKVTESA-N 2 0 342.487 3.018 20 0 EGADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)C1 ZINC000856742931 1325518631 /nfs/dbraw/zinc/51/86/31/1325518631.db2.gz QRYQRWKKFLMTIF-FQEVSTJZSA-N 2 0 343.515 3.102 20 0 EGADRP CCC[NH+]1CCC(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000856762164 1325520169 /nfs/dbraw/zinc/52/01/69/1325520169.db2.gz OQAAXWPOQSSTCI-IBGZPJMESA-N 2 0 343.515 3.100 20 0 EGADRP C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926416530 1325546408 /nfs/dbraw/zinc/54/64/08/1325546408.db2.gz BOZRHALMCZPKEU-UPCLLVRISA-N 2 0 344.524 3.478 20 0 EGADRP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926557407 1327616422 /nfs/dbraw/zinc/61/64/22/1327616422.db2.gz AWSDVMDKSRTKMB-HOCLYGCPSA-N 2 0 340.471 3.129 20 0 EGADRP CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000964645112 1327618271 /nfs/dbraw/zinc/61/82/71/1327618271.db2.gz VMRSNGWQFIMDQA-HNSLBZJHSA-N 2 0 347.547 3.211 20 0 EGADRP COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926573908 1327620991 /nfs/dbraw/zinc/62/09/91/1327620991.db2.gz QLYZKJUBYACJIC-JXFKEZNVSA-N 2 0 342.483 3.184 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027442148 1327681857 /nfs/dbraw/zinc/68/18/57/1327681857.db2.gz BQJUZBAGOHJFTL-PMACEKPBSA-N 2 0 349.563 3.362 20 0 EGADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1cc(CO)on1 ZINC000926791600 1327718935 /nfs/dbraw/zinc/71/89/35/1327718935.db2.gz RRELVJSLSPUUJH-INIZCTEOSA-N 2 0 343.471 3.120 20 0 EGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000927021173 1327824396 /nfs/dbraw/zinc/82/43/96/1327824396.db2.gz WMRANIICUKOOBF-YZGWKJHDSA-N 2 0 343.515 3.373 20 0 EGADRP Cc1ccc(NCC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000927073379 1327842540 /nfs/dbraw/zinc/84/25/40/1327842540.db2.gz KVPBKBXDOSHILT-UYAOXDASSA-N 2 0 338.499 3.302 20 0 EGADRP CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542504 1327845709 /nfs/dbraw/zinc/84/57/09/1327845709.db2.gz MEQSKXLLTUKJMS-OALUTQOASA-N 2 0 335.536 3.116 20 0 EGADRP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555376 1327863166 /nfs/dbraw/zinc/86/31/66/1327863166.db2.gz KGLSYOKBTFNTDO-PXNSSMCTSA-N 2 0 343.515 3.012 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001027563985 1327886740 /nfs/dbraw/zinc/88/67/40/1327886740.db2.gz PQYWQUDIRQVMPB-RBUKOAKNSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001027579216 1327913131 /nfs/dbraw/zinc/91/31/31/1327913131.db2.gz CWQHWLCIICCNIP-UXHICEINSA-N 2 0 345.531 3.066 20 0 EGADRP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027576972 1327915190 /nfs/dbraw/zinc/91/51/90/1327915190.db2.gz BDDWBSPFOXSVTH-LJQANCHMSA-N 2 0 347.547 3.142 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCC3)C2)CC1 ZINC001027628883 1327992091 /nfs/dbraw/zinc/99/20/91/1327992091.db2.gz MWVSWMMKKXUWPG-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027695369 1328102505 /nfs/dbraw/zinc/10/25/05/1328102505.db2.gz RZQYUVPUHYKLPH-WOJBJXKFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027878853 1328345879 /nfs/dbraw/zinc/34/58/79/1328345879.db2.gz JGTAMKWMWJXHLG-UXHICEINSA-N 2 0 347.547 3.330 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001027924044 1328402995 /nfs/dbraw/zinc/40/29/95/1328402995.db2.gz CILZUNADAHTQQK-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001027924469 1328403034 /nfs/dbraw/zinc/40/30/34/1328403034.db2.gz JRNFMWZGTUWYGG-VQTJNVASSA-N 2 0 349.563 3.125 20 0 EGADRP CCN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)C1CC[NH+](C)CC1 ZINC000863921463 1329589305 /nfs/dbraw/zinc/58/93/05/1329589305.db2.gz HPXQYKPEKZQASP-LJQANCHMSA-N 2 0 343.515 3.052 20 0 EGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865435060 1329696913 /nfs/dbraw/zinc/69/69/13/1329696913.db2.gz BEWBPEXHYYSPBF-CQSZACIVSA-N 2 0 348.441 3.185 20 0 EGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865449339 1329698847 /nfs/dbraw/zinc/69/88/47/1329698847.db2.gz UKINETVEAVBRGZ-GOSISDBHSA-N 2 0 347.547 3.227 20 0 EGADRP Cc1nn(C)c(C)c1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718765 1329732430 /nfs/dbraw/zinc/73/24/30/1329732430.db2.gz FBZRZKJRURTZEG-UHFFFAOYSA-N 2 0 340.515 3.429 20 0 EGADRP Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)ccc1OCC[NH+]1CCCC1 ZINC000933171038 1329869059 /nfs/dbraw/zinc/86/90/59/1329869059.db2.gz OHLLHYUXVOHMKT-UHFFFAOYSA-N 2 0 347.503 3.186 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000933268247 1329876465 /nfs/dbraw/zinc/87/64/65/1329876465.db2.gz ULOXGYFORGZMJS-GOSISDBHSA-N 2 0 342.487 3.014 20 0 EGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[NH2+]C(C)(C)C ZINC000933860913 1329929091 /nfs/dbraw/zinc/92/90/91/1329929091.db2.gz OERBDYOSYUHXJB-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP C[C@@H]1C[C@H](CCNC(=O)CC[NH2+]C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000935058010 1330025816 /nfs/dbraw/zinc/02/58/16/1330025816.db2.gz FLQQDOJKUMASGD-MJGOQNOKSA-N 2 0 345.531 3.182 20 0 EGADRP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000866306876 1330093702 /nfs/dbraw/zinc/09/37/02/1330093702.db2.gz OFOOWGZUWVVWDR-IOMROCGXSA-N 2 0 330.516 3.284 20 0 EGADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866666272 1330139581 /nfs/dbraw/zinc/13/95/81/1330139581.db2.gz PAMMBAIQSPANGQ-PKOBYXMFSA-N 2 0 329.488 3.034 20 0 EGADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000939813360 1330993180 /nfs/dbraw/zinc/99/31/80/1330993180.db2.gz ZTAIXMOWPYLEDN-UYAOXDASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918205 1331254428 /nfs/dbraw/zinc/25/44/28/1331254428.db2.gz NKHFZTNBFLWCNP-LJQANCHMSA-N 2 0 345.531 3.031 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941139151 1331350998 /nfs/dbraw/zinc/35/09/98/1331350998.db2.gz QNCXHNMMDHOHOR-LJQANCHMSA-N 2 0 349.563 3.124 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102345 1331831371 /nfs/dbraw/zinc/83/13/71/1331831371.db2.gz XQJMYHOYLHFTGQ-GDBMZVCRSA-N 2 0 337.533 3.050 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942173951 1331860659 /nfs/dbraw/zinc/86/06/59/1331860659.db2.gz SPHZCOJYHBDTCY-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C[C@H]2C)o1 ZINC000945337249 1332560342 /nfs/dbraw/zinc/56/03/42/1332560342.db2.gz VJWWEOBLOZNTOX-SJLPKXTDSA-N 2 0 349.519 3.218 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436440 1333127186 /nfs/dbraw/zinc/12/71/86/1333127186.db2.gz IXBGGTPOKCTKBH-IEBWSBKVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC1CCCC1 ZINC000947498562 1333148141 /nfs/dbraw/zinc/14/81/41/1333148141.db2.gz VYRHOKCFCAUNJY-MJGOQNOKSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCC1CCCC1 ZINC000947498563 1333148148 /nfs/dbraw/zinc/14/81/48/1333148148.db2.gz VYRHOKCFCAUNJY-PKOBYXMFSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947505719 1333149700 /nfs/dbraw/zinc/14/97/00/1333149700.db2.gz CZPBVRGSFPACAS-CRAIPNDOSA-N 2 0 342.487 3.353 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552027 1333168718 /nfs/dbraw/zinc/16/87/18/1333168718.db2.gz QRSVTUIXXSSQEX-YJBOKZPZSA-N 2 0 342.487 3.353 20 0 EGADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC000947616657 1333194227 /nfs/dbraw/zinc/19/42/27/1333194227.db2.gz RATPHOYRZQYTRE-RDJZCZTQSA-N 2 0 349.544 3.092 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663910 1333213863 /nfs/dbraw/zinc/21/38/63/1333213863.db2.gz ZQHBLRMPCDDKOH-QAPCUYQASA-N 2 0 349.519 3.360 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC000947684713 1333223063 /nfs/dbraw/zinc/22/30/63/1333223063.db2.gz JNKCECVXNRZOFW-YLJYHZDGSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C/C=C/Cl ZINC000947799620 1333264985 /nfs/dbraw/zinc/26/49/85/1333264985.db2.gz CAZMCHZKWKLUEW-UICDAGHKSA-N 2 0 349.906 3.083 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947800192 1333265808 /nfs/dbraw/zinc/26/58/08/1333265808.db2.gz GPTCYAFRHJNUTL-YLJYHZDGSA-N 2 0 343.515 3.297 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948376853 1333502425 /nfs/dbraw/zinc/50/24/25/1333502425.db2.gz CWSQBUIOBKOUOL-MOPGFXCFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440023 1333526121 /nfs/dbraw/zinc/52/61/21/1333526121.db2.gz ZQYPOIBRMVROJR-MOPGFXCFSA-N 2 0 337.552 3.218 20 0 EGADRP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575516 1333583333 /nfs/dbraw/zinc/58/33/33/1333583333.db2.gz ZPPZHMVXKYJOGF-MOPGFXCFSA-N 2 0 337.552 3.220 20 0 EGADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948741397 1333655133 /nfs/dbraw/zinc/65/51/33/1333655133.db2.gz ABVUNIRIRSIKOK-FQEVSTJZSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948829686 1333702140 /nfs/dbraw/zinc/70/21/40/1333702140.db2.gz STFCJYRMNICPJE-VQTJNVASSA-N 2 0 349.563 3.362 20 0 EGADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[NH+](CC2CCCC2)CC1 ZINC000949824409 1333933796 /nfs/dbraw/zinc/93/37/96/1333933796.db2.gz FUWHWXXIDDZKHB-FQEVSTJZSA-N 2 0 347.547 3.118 20 0 EGADRP CCC(CC)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000949824763 1333934039 /nfs/dbraw/zinc/93/40/39/1333934039.db2.gz OBVQLKFGESCBGI-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000950614585 1334097692 /nfs/dbraw/zinc/09/76/92/1334097692.db2.gz GNMWJPGIZSPQAY-ICSRJNTNSA-N 2 0 347.547 3.116 20 0 EGADRP 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CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007458337 1336651358 /nfs/dbraw/zinc/65/13/58/1336651358.db2.gz WFISSIARJNAFAW-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007497475 1336657592 /nfs/dbraw/zinc/65/75/92/1336657592.db2.gz COJCVJITIYAWSR-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001007495476 1336657643 /nfs/dbraw/zinc/65/76/43/1336657643.db2.gz JURMWEVMCOHUIP-UXHICEINSA-N 2 0 349.563 3.125 20 0 EGADRP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001008164158 1336782833 /nfs/dbraw/zinc/78/28/33/1336782833.db2.gz RPVOWYAWXJDNDD-ACBHZAAOSA-N 2 0 349.563 3.268 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001008166309 1336783059 /nfs/dbraw/zinc/78/30/59/1336783059.db2.gz ZRIDTPDFQIGQFS-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001008164983 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CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014724623 1337885966 /nfs/dbraw/zinc/88/59/66/1337885966.db2.gz VZFNMGRRLWASHT-RBUKOAKNSA-N 2 0 335.536 3.020 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114738 1338023337 /nfs/dbraw/zinc/02/33/37/1338023337.db2.gz RUFCEBRPXBAAIY-WMZOPIPTSA-N 2 0 348.450 3.208 20 0 EGADRP O=C(N[C@H]1CC[N@H+](CC2CCCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015289690 1338086233 /nfs/dbraw/zinc/08/62/33/1338086233.db2.gz JRUXUXLUTATXPN-SFHVURJKSA-N 2 0 340.471 3.109 20 0 EGADRP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001015393041 1338122053 /nfs/dbraw/zinc/12/20/53/1338122053.db2.gz RGWKPYIABFLDJE-SFHVURJKSA-N 2 0 345.531 3.031 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001015596336 1338200323 /nfs/dbraw/zinc/20/03/23/1338200323.db2.gz AZJWIZLSUXDVFZ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001015792685 1338312631 /nfs/dbraw/zinc/31/26/31/1338312631.db2.gz BJIUEKJCVCUBOK-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001015791335 1338312639 /nfs/dbraw/zinc/31/26/39/1338312639.db2.gz CSICSTINUJFRRR-RBUKOAKNSA-N 2 0 347.547 3.020 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796801 1338315207 /nfs/dbraw/zinc/31/52/07/1338315207.db2.gz RAUNPJFLVZOBJB-VQTJNVASSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)C2)cc1 ZINC001015840384 1338332014 /nfs/dbraw/zinc/33/20/14/1338332014.db2.gz WNHWPFVDUHJTQS-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)C2)cc1 ZINC001015839616 1338332497 /nfs/dbraw/zinc/33/24/97/1338332497.db2.gz LXMSQEYSJCNXLY-HXUWFJFHSA-N 2 0 343.515 3.133 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001015971351 1338384222 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ZVMYULBXNUJOQD-UYAOXDASSA-N 2 0 345.531 3.006 20 0 EGADRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001017156000 1338906645 /nfs/dbraw/zinc/90/66/45/1338906645.db2.gz PYQLMUPKDKFMNT-KRWDZBQOSA-N 2 0 337.552 3.218 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001017209584 1338956131 /nfs/dbraw/zinc/95/61/31/1338956131.db2.gz QRLCBBQHCOCWCI-UYAOXDASSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001017266702 1338993173 /nfs/dbraw/zinc/99/31/73/1338993173.db2.gz MYZGVJULVBVNEK-HXUWFJFHSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)c1ccccc1 ZINC001018850454 1339738491 /nfs/dbraw/zinc/73/84/91/1339738491.db2.gz UPJYEBVGLARJJK-HKUYNNGSSA-N 2 0 343.515 3.203 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@@H+]1C ZINC001018873703 1339741135 /nfs/dbraw/zinc/74/11/35/1339741135.db2.gz VQJUZPUEOOEPEP-GBESFXJTSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001028089361 1340419093 /nfs/dbraw/zinc/41/90/93/1340419093.db2.gz ZQHKJRAKQSZIJJ-QZTJIDSGSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001028335203 1340572444 /nfs/dbraw/zinc/57/24/44/1340572444.db2.gz PPPKFWNFZOKHTH-PMACEKPBSA-N 2 0 349.563 3.412 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001028756152 1340791300 /nfs/dbraw/zinc/79/13/00/1340791300.db2.gz YBNUHPIEZSLAEZ-UXHICEINSA-N 2 0 349.563 3.127 20 0 EGADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001028779012 1340809614 /nfs/dbraw/zinc/80/96/14/1340809614.db2.gz RRDOSYGCMGAHNN-LJQANCHMSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001029104739 1340931210 /nfs/dbraw/zinc/93/12/10/1340931210.db2.gz GWVCKIMDWGLDCN-AWEZNQCLSA-N 2 0 337.533 3.048 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001029108092 1340931748 /nfs/dbraw/zinc/93/17/48/1340931748.db2.gz VXVJTZXPLIPDFS-KRWDZBQOSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001029360260 1340977212 /nfs/dbraw/zinc/97/72/12/1340977212.db2.gz YTLDLMVUDKGKDZ-ZCNNSNEGSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001029550623 1341010786 /nfs/dbraw/zinc/01/07/86/1341010786.db2.gz SCEKWPRFTPFWHD-OTWHNJEPSA-N 2 0 335.536 3.116 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029597550 1341018871 /nfs/dbraw/zinc/01/88/71/1341018871.db2.gz XIGSOLLJNWBVAM-BGYRXZFFSA-N 2 0 347.547 3.118 20 0 EGADRP C[N@H+](C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1)CC1CCCCC1 ZINC001029759018 1341064787 /nfs/dbraw/zinc/06/47/87/1341064787.db2.gz JNYDWPUIVSTWJV-UXHICEINSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@H+](CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1)CC1CCCCCC1 ZINC001030013717 1341157957 /nfs/dbraw/zinc/15/79/57/1341157957.db2.gz QLGNTOIESZQLEY-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001030026636 1341160892 /nfs/dbraw/zinc/16/08/92/1341160892.db2.gz MHEZMIBSLXNZRR-KVPLUYHFSA-N 2 0 343.515 3.059 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCCCC2)C1 ZINC001031236574 1341301778 /nfs/dbraw/zinc/30/17/78/1341301778.db2.gz DSZKAFFVPKRNJA-IBGZPJMESA-N 2 0 335.536 3.022 20 0 EGADRP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001031817621 1341405151 /nfs/dbraw/zinc/40/51/51/1341405151.db2.gz MHAUCXVKVDZSBJ-INIZCTEOSA-N 2 0 348.450 3.066 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001031917008 1341421698 /nfs/dbraw/zinc/42/16/98/1341421698.db2.gz LIWGBHOBUIYERN-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001031919068 1341421982 /nfs/dbraw/zinc/42/19/82/1341421982.db2.gz MCSKJONMEIICLU-HXUWFJFHSA-N 2 0 349.563 3.127 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081900 1341718063 /nfs/dbraw/zinc/71/80/63/1341718063.db2.gz NNNROGJQZJQULB-ICSRJNTNSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033125181 1341733393 /nfs/dbraw/zinc/73/33/93/1341733393.db2.gz AHDMHXOXAUKZKK-WOJBJXKFSA-N 2 0 347.547 3.284 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033684480 1341950121 /nfs/dbraw/zinc/95/01/21/1341950121.db2.gz GGKIDSUXUYAWAM-UXHICEINSA-N 2 0 349.563 3.364 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033826525 1342027916 /nfs/dbraw/zinc/02/79/16/1342027916.db2.gz QRHDPOCDIUQYBM-UXHICEINSA-N 2 0 349.563 3.362 20 0 EGADRP CC[C@H](F)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046215 1342186188 /nfs/dbraw/zinc/18/61/88/1342186188.db2.gz QSZLEABBPQUBFC-OALUTQOASA-N 2 0 349.494 3.033 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034205819 1342315978 /nfs/dbraw/zinc/31/59/78/1342315978.db2.gz YYTBLBVBOSQCPF-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001034214760 1342322483 /nfs/dbraw/zinc/32/24/83/1342322483.db2.gz PXURVTZNGZPMHR-YZGWKJHDSA-N 2 0 347.547 3.188 20 0 EGADRP O=C(N[C@H]1CCCC[N@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034250016 1342347060 /nfs/dbraw/zinc/34/70/60/1342347060.db2.gz NYIDZCRAPFCBRQ-ICSRJNTNSA-N 2 0 347.547 3.164 20 0 EGADRP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258290 1342351633 /nfs/dbraw/zinc/35/16/33/1342351633.db2.gz UUUBGAVMXXGHFF-IBGZPJMESA-N 2 0 349.563 3.269 20 0 EGADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001034329991 1342404033 /nfs/dbraw/zinc/40/40/33/1342404033.db2.gz KFTSZSUVMHFMMW-WOJBJXKFSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034359943 1342431225 /nfs/dbraw/zinc/43/12/25/1342431225.db2.gz DJJNPGFMQUTEPL-AZUAARDMSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034396402 1342465333 /nfs/dbraw/zinc/46/53/33/1342465333.db2.gz FIWNGPHEPCIVOW-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001034432078 1342494761 /nfs/dbraw/zinc/49/47/61/1342494761.db2.gz SLZDVLKSROVKHA-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034438203 1342500290 /nfs/dbraw/zinc/50/02/90/1342500290.db2.gz LMXHTOSJKIEMIP-OALUTQOASA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439001 1342501543 /nfs/dbraw/zinc/50/15/43/1342501543.db2.gz REQGBCKDVWQTJT-RBUKOAKNSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)CC1 ZINC001034475009 1342531053 /nfs/dbraw/zinc/53/10/53/1342531053.db2.gz OPNRSSUEVAJLLT-FQEVSTJZSA-N 2 0 349.563 3.268 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034490023 1342547525 /nfs/dbraw/zinc/54/75/25/1342547525.db2.gz IDCCJYROCYPKDJ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034539071 1342597992 /nfs/dbraw/zinc/59/79/92/1342597992.db2.gz VEAQZMVNVLVIHV-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034540218 1342598710 /nfs/dbraw/zinc/59/87/10/1342598710.db2.gz GSWZQIYFKSKHJD-LJQANCHMSA-N 2 0 343.515 3.133 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001034663064 1342677494 /nfs/dbraw/zinc/67/74/94/1342677494.db2.gz PPHDXYMEHMAJBU-QWFCFKBJSA-N 2 0 347.547 3.211 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)c1ccc2c[nH+]cn2c1 ZINC001034690643 1342694974 /nfs/dbraw/zinc/69/49/74/1342694974.db2.gz YHKBKXGSWNVLGR-WGSAOQKQSA-N 2 0 348.450 3.165 20 0 EGADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034716360 1342711239 /nfs/dbraw/zinc/71/12/39/1342711239.db2.gz YSOHPAGAABYVPT-BJLQDIEVSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034749580 1342737478 /nfs/dbraw/zinc/73/74/78/1342737478.db2.gz NEFVGQLHBPCZMY-GUDVDZBRSA-N 2 0 335.536 3.066 20 0 EGADRP C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001034750526 1342738068 /nfs/dbraw/zinc/73/80/68/1342738068.db2.gz XPOFBLOLEPUSNV-WDSOQIARSA-N 2 0 335.536 3.068 20 0 EGADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001034792006 1342760880 /nfs/dbraw/zinc/76/08/80/1342760880.db2.gz BPUUEIRFKDRQKX-MUGJNUQGSA-N 2 0 343.515 3.106 20 0 EGADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034795773 1342762565 /nfs/dbraw/zinc/76/25/65/1342762565.db2.gz RVFLDDGCZDQBBW-WGSAOQKQSA-N 2 0 343.515 3.179 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034795651 1342762687 /nfs/dbraw/zinc/76/26/87/1342762687.db2.gz NZPGZWXVWDRZES-UFYCRDLUSA-N 2 0 343.515 3.078 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034796930 1342763476 /nfs/dbraw/zinc/76/34/76/1342763476.db2.gz RJFNNEFMTSWBDV-YOQCTACHSA-N 2 0 349.563 3.312 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCCC2)cc1 ZINC001034820601 1342783501 /nfs/dbraw/zinc/78/35/01/1342783501.db2.gz JYIOIFLXEBRXCZ-FQEVSTJZSA-N 2 0 343.515 3.067 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001034830673 1342791072 /nfs/dbraw/zinc/79/10/72/1342791072.db2.gz ZEVPSANRBGVDTE-IBGZPJMESA-N 2 0 331.504 3.064 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001035052001 1342899213 /nfs/dbraw/zinc/89/92/13/1342899213.db2.gz BWPUOKWBGFIUIY-UXHICEINSA-N 2 0 345.531 3.231 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001035071524 1342911721 /nfs/dbraw/zinc/91/17/21/1342911721.db2.gz VYISFKGVTOSPAL-RTBURBONSA-N 2 0 349.563 3.266 20 0 EGADRP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193770 1343007902 /nfs/dbraw/zinc/00/79/02/1343007902.db2.gz ODPDGYQOHMUBEC-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](C(C)C)C2)CC1 ZINC001035244108 1343065517 /nfs/dbraw/zinc/06/55/17/1343065517.db2.gz ITVSZRRKSOKYNU-IBGZPJMESA-N 2 0 349.563 3.364 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035260510 1343087853 /nfs/dbraw/zinc/08/78/53/1343087853.db2.gz XIRQNMHPQMBFCZ-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035857706 1343233975 /nfs/dbraw/zinc/23/39/75/1343233975.db2.gz CAMBTUNPJRVNBX-HDICACEKSA-N 2 0 349.563 3.220 20 0 EGADRP CCCC[NH+]1CC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035857228 1343233989 /nfs/dbraw/zinc/23/39/89/1343233989.db2.gz AFOYNYYLBABNIU-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036137392 1343323059 /nfs/dbraw/zinc/32/30/59/1343323059.db2.gz NIJDPYFLGAVOHX-SJLPKXTDSA-N 2 0 349.563 3.124 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@H](C)C2)CC1 ZINC001036232622 1343371694 /nfs/dbraw/zinc/37/16/94/1343371694.db2.gz UZHXFASDPLQIRQ-QUCCMNQESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)[C@@H](C)C2)CC1 ZINC001036242686 1343374357 /nfs/dbraw/zinc/37/43/57/1343374357.db2.gz WUECJYJPQWSOOJ-FXAWDEMLSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036311620 1343413586 /nfs/dbraw/zinc/41/35/86/1343413586.db2.gz PXAMWDWBHQQPHM-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902518 1343848908 /nfs/dbraw/zinc/84/89/08/1343848908.db2.gz LQPYYWZIZHHPMJ-WOJBJXKFSA-N 2 0 343.515 3.085 20 0 EGADRP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001037045573 1343946730 /nfs/dbraw/zinc/94/67/30/1343946730.db2.gz WQEGQYUPSYLZDY-QFBILLFUSA-N 2 0 340.471 3.013 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCC2)c1 ZINC001037121732 1343978567 /nfs/dbraw/zinc/97/85/67/1343978567.db2.gz PFQWHRVWBZYZQQ-UXHICEINSA-N 2 0 343.515 3.036 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]C(C)C)o1 ZINC001037135410 1343985047 /nfs/dbraw/zinc/98/50/47/1343985047.db2.gz RHBWEJOOVBOXHA-RDJZCZTQSA-N 2 0 335.492 3.018 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]C(C)C)o1 ZINC001037135404 1343985092 /nfs/dbraw/zinc/98/50/92/1343985092.db2.gz RHBWEJOOVBOXHA-DOTOQJQBSA-N 2 0 335.492 3.018 20 0 EGADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1[NH2+]CC(C)C ZINC001037853374 1344139591 /nfs/dbraw/zinc/13/95/91/1344139591.db2.gz IJOQQBFSVWDHAI-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037856946 1344142469 /nfs/dbraw/zinc/14/24/69/1344142469.db2.gz AQOMHWBEJCHQSB-ICSRJNTNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037862906 1344147527 /nfs/dbraw/zinc/14/75/27/1344147527.db2.gz WMOBCLFYZHSRCF-ICSRJNTNSA-N 2 0 347.547 3.188 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038329256 1344382635 /nfs/dbraw/zinc/38/26/35/1344382635.db2.gz PASZNLIEXPJQCX-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038448121 1344431030 /nfs/dbraw/zinc/43/10/30/1344431030.db2.gz HBLZKHIUTWWJHW-UXHICEINSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038706249 1344549023 /nfs/dbraw/zinc/54/90/23/1344549023.db2.gz SOBJVYYPAPMIQE-HXUWFJFHSA-N 2 0 345.531 3.031 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001038906605 1344645016 /nfs/dbraw/zinc/64/50/16/1344645016.db2.gz CHSZJXBAFJMSLG-WOJBJXKFSA-N 2 0 347.547 3.332 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001039051396 1344736734 /nfs/dbraw/zinc/73/67/34/1344736734.db2.gz VPXVUYIBSKOPPD-OALUTQOASA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039112826 1344784862 /nfs/dbraw/zinc/78/48/62/1344784862.db2.gz IZGXFVDCSJOMDE-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167153 1344854055 /nfs/dbraw/zinc/85/40/55/1344854055.db2.gz MZBULMWBQQLEKV-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173111 1344863549 /nfs/dbraw/zinc/86/35/49/1344863549.db2.gz NUFRBWNREWTRRE-HXUWFJFHSA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC001039183047 1344881238 /nfs/dbraw/zinc/88/12/38/1344881238.db2.gz UZJVAVSYBVSVJM-VQTJNVASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC)C2)CC1 ZINC001039185725 1344885388 /nfs/dbraw/zinc/88/53/88/1344885388.db2.gz WDXLQKYUGIVAFW-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039313918 1345009691 /nfs/dbraw/zinc/00/96/91/1345009691.db2.gz XLOYUJISZLJBMX-IPQPSQTFSA-N 2 0 335.536 3.019 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386994 1345039773 /nfs/dbraw/zinc/03/97/73/1345039773.db2.gz NNIFBWBMPDKFDE-QYZOEREBSA-N 2 0 335.536 3.115 20 0 EGADRP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001039422708 1345060834 /nfs/dbraw/zinc/06/08/34/1345060834.db2.gz LWTLTQIFDGRTJB-AABGKKOBSA-N 2 0 347.547 3.259 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447919 1345072558 /nfs/dbraw/zinc/07/25/58/1345072558.db2.gz PMOORMNUXGQDNJ-QYZOEREBSA-N 2 0 335.536 3.115 20 0 EGADRP CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001039822268 1345200064 /nfs/dbraw/zinc/20/00/64/1345200064.db2.gz DISMNQGGDSZTQB-KDURUIRLSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040264110 1345402038 /nfs/dbraw/zinc/40/20/38/1345402038.db2.gz LSFQPYDBPLPIMO-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1=CCCCC1)C2)[NH+](C)C ZINC001040400375 1345476929 /nfs/dbraw/zinc/47/69/29/1345476929.db2.gz UFJFBNXURRTFRN-FPOVZHCZSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431366 1345493814 /nfs/dbraw/zinc/49/38/14/1345493814.db2.gz GNVQNBUBORXUEW-FPOVZHCZSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432243 1345494919 /nfs/dbraw/zinc/49/49/19/1345494919.db2.gz NLAMWOCROZDPRG-NQIIRXRSSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432320 1345494972 /nfs/dbraw/zinc/49/49/72/1345494972.db2.gz NRWVYHXOLLQFIF-NRFANRHFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040452747 1345507999 /nfs/dbraw/zinc/50/79/99/1345507999.db2.gz KHLIVWMKAWELSB-NRFANRHFSA-N 2 0 343.515 3.085 20 0 EGADRP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040544819 1345539107 /nfs/dbraw/zinc/53/91/07/1345539107.db2.gz KFHKZEKMZBOHBI-FPOVZHCZSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545933 1345539741 /nfs/dbraw/zinc/53/97/41/1345539741.db2.gz YUEJOUSYJPQQIA-TZIWHRDSSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590690 1345785220 /nfs/dbraw/zinc/78/52/20/1345785220.db2.gz SAUBNGGVLIOYBJ-PZJWPPBQSA-N 2 0 347.547 3.116 20 0 EGADRP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042124606 1345950391 /nfs/dbraw/zinc/95/03/91/1345950391.db2.gz IQTGSUMYTAYYOH-PKOBYXMFSA-N 2 0 349.563 3.362 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815708 1373819986 /nfs/dbraw/zinc/81/99/86/1373819986.db2.gz QFFHFVHIKDESDO-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371023 1346060863 /nfs/dbraw/zinc/06/08/63/1346060863.db2.gz KDXJICFJXFQXIC-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001042921547 1346125009 /nfs/dbraw/zinc/12/50/09/1346125009.db2.gz KQAMKJFBHIJEKC-ACBHZAAOSA-N 2 0 349.563 3.218 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001044005917 1346232769 /nfs/dbraw/zinc/23/27/69/1346232769.db2.gz ITDNIGGZLJJYMW-HXUWFJFHSA-N 2 0 349.563 3.362 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCC2)C1 ZINC001044170445 1346265503 /nfs/dbraw/zinc/26/55/03/1346265503.db2.gz OZAQTWUKUQNBSI-FQEVSTJZSA-N 2 0 349.563 3.364 20 0 EGADRP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001044656305 1346394794 /nfs/dbraw/zinc/39/47/94/1346394794.db2.gz BXOQEWRBECXZEA-QAPCUYQASA-N 2 0 340.471 3.107 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([NH2+]CC3CCC3)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001044662202 1346395803 /nfs/dbraw/zinc/39/58/03/1346395803.db2.gz YEEMOYLCGSDHMZ-YOEHRIQHSA-N 2 0 340.471 3.026 20 0 EGADRP CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001044745400 1346419044 /nfs/dbraw/zinc/41/90/44/1346419044.db2.gz VIECIOFMBKMCPK-YLJYHZDGSA-N 2 0 345.531 3.029 20 0 EGADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C[C@H]2C)CC1 ZINC001044790870 1346428477 /nfs/dbraw/zinc/42/84/77/1346428477.db2.gz DHJSTSAAPTXSJZ-IEBWSBKVSA-N 2 0 349.563 3.124 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]C(C)C)C[C@H]2C)o1 ZINC001044878228 1346453136 /nfs/dbraw/zinc/45/31/36/1346453136.db2.gz KNSFFLUNIFWATH-HZPDHXFCSA-N 2 0 335.492 3.113 20 0 EGADRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC3(CC3)CC2)CCC1 ZINC001045067441 1346489066 /nfs/dbraw/zinc/48/90/66/1346489066.db2.gz SHIQINUBIIDAJV-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)c1 ZINC001045067071 1346489515 /nfs/dbraw/zinc/48/95/15/1346489515.db2.gz KQGSGZYOZTYFDT-HKUYNNGSSA-N 2 0 343.515 3.121 20 0 EGADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001045089682 1346493024 /nfs/dbraw/zinc/49/30/24/1346493024.db2.gz LHMPDYYKLDQKKM-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001045251405 1346540972 /nfs/dbraw/zinc/54/09/72/1346540972.db2.gz RCBAAFMNUZKJKP-ICSRJNTNSA-N 2 0 343.515 3.060 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045322225 1346559834 /nfs/dbraw/zinc/55/98/34/1346559834.db2.gz IXXRQLCJLVEVMA-OALUTQOASA-N 2 0 347.547 3.022 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001045389855 1346580710 /nfs/dbraw/zinc/58/07/10/1346580710.db2.gz MAEXUKZXAHATQU-SFHVURJKSA-N 2 0 347.547 3.022 20 0 EGADRP CC1(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC[NH+](CC2CCCC2)CC1 ZINC001045438942 1346593904 /nfs/dbraw/zinc/59/39/04/1346593904.db2.gz XSBGCNACZWPVJK-RBUKOAKNSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccsc2)CC1 ZINC001045438931 1346594275 /nfs/dbraw/zinc/59/42/75/1346594275.db2.gz XISJTCPUAAABOO-QGZVFWFLSA-N 2 0 349.544 3.092 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045557372 1346628786 /nfs/dbraw/zinc/62/87/86/1346628786.db2.gz IMQGEXVIHBZKPY-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045557861 1346628860 /nfs/dbraw/zinc/62/88/60/1346628860.db2.gz XHTDSEDQSSOFHA-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@@H+]1C ZINC001045834345 1346714095 /nfs/dbraw/zinc/71/40/95/1346714095.db2.gz BRLVAQXDOAGHFX-OKYOBFRVSA-N 2 0 349.563 3.218 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001045947301 1346782742 /nfs/dbraw/zinc/78/27/42/1346782742.db2.gz LJPRXUNXHVJHPP-CTNGQTDRSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961094 1346796435 /nfs/dbraw/zinc/79/64/35/1346796435.db2.gz GHTIGJKZXTXMST-CTNGQTDRSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045967541 1346802385 /nfs/dbraw/zinc/80/23/85/1346802385.db2.gz WYODUXZBQGENDS-TZIWHRDSSA-N 2 0 347.547 3.142 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985813 1346826923 /nfs/dbraw/zinc/82/69/23/1346826923.db2.gz CRCIBJWYXQAJIM-OAQYLSRUSA-N 2 0 349.563 3.223 20 0 EGADRP C[C@]1(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](CCC2CC2)C1 ZINC001046315513 1346931388 /nfs/dbraw/zinc/93/13/88/1346931388.db2.gz XBORKRGPRDGANX-RXVVDRJESA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760454 1347087873 /nfs/dbraw/zinc/08/78/73/1347087873.db2.gz GMJVYZNNGKPBDA-NRFANRHFSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760301 1347087895 /nfs/dbraw/zinc/08/78/95/1347087895.db2.gz FGKGORNAEHJPMD-NRFANRHFSA-N 2 0 349.563 3.125 20 0 EGADRP CC[NH+]1CCC([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001047239689 1347265909 /nfs/dbraw/zinc/26/59/09/1347265909.db2.gz RVGRFGLZKVXZGW-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047244083 1347269735 /nfs/dbraw/zinc/26/97/35/1347269735.db2.gz PLSNZCKFSVPRJW-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257781 1347280513 /nfs/dbraw/zinc/28/05/13/1347280513.db2.gz UDJXLDQZFIFCGY-UYAOXDASSA-N 2 0 349.563 3.077 20 0 EGADRP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263313 1347284446 /nfs/dbraw/zinc/28/44/46/1347284446.db2.gz GASNNXSCCPAVSM-UYAOXDASSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079687898 1357348881 /nfs/dbraw/zinc/34/88/81/1357348881.db2.gz YBTUYJQLUSXMKI-RLLQIKCJSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001047867796 1347394131 /nfs/dbraw/zinc/39/41/31/1347394131.db2.gz KWGJRGFCQCCYNY-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047961220 1347425238 /nfs/dbraw/zinc/42/52/38/1347425238.db2.gz ZFRJUIHDUWAZRG-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001048009247 1347439339 /nfs/dbraw/zinc/43/93/39/1347439339.db2.gz SXQZHLPISIPBFL-ICSRJNTNSA-N 2 0 349.563 3.125 20 0 EGADRP C[N@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1)C1CCC1 ZINC001049522035 1347890119 /nfs/dbraw/zinc/89/01/19/1347890119.db2.gz NZQVGUNHAZFFKA-PMACEKPBSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049557017 1347908320 /nfs/dbraw/zinc/90/83/20/1347908320.db2.gz FOOJXBFMNCARLL-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049558819 1347908774 /nfs/dbraw/zinc/90/87/74/1347908774.db2.gz RWLVUBXOYGJFBV-VAMGGRTRSA-N 2 0 347.547 3.116 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565059 1347912718 /nfs/dbraw/zinc/91/27/18/1347912718.db2.gz SEIATEKAGFJQFM-RBUKOAKNSA-N 2 0 349.563 3.361 20 0 EGADRP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049663758 1347962610 /nfs/dbraw/zinc/96/26/10/1347962610.db2.gz NDDDFJJDSHRNBX-AQNXPRMDSA-N 2 0 347.547 3.259 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049711310 1347985809 /nfs/dbraw/zinc/98/58/09/1347985809.db2.gz LXFODVMGRSRKIJ-GBESFXJTSA-N 2 0 337.552 3.074 20 0 EGADRP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764449 1348009305 /nfs/dbraw/zinc/00/93/05/1348009305.db2.gz CZWVOTFPIIJJEJ-VAMGGRTRSA-N 2 0 347.547 3.282 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068917 1348171722 /nfs/dbraw/zinc/17/17/22/1348171722.db2.gz PKHDQCDEZGZDPS-SLFFLAALSA-N 2 0 349.563 3.220 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001050068709 1348171749 /nfs/dbraw/zinc/17/17/49/1348171749.db2.gz GWLBXDBUQDBFQA-GBESFXJTSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc([C@@H](C)[NH2+]CC)cc2)C1 ZINC001050269943 1348223905 /nfs/dbraw/zinc/22/39/05/1348223905.db2.gz KLIQLBYYLLAWNC-APWZRJJASA-N 2 0 331.504 3.095 20 0 EGADRP CC1CC(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001050377731 1348243071 /nfs/dbraw/zinc/24/30/71/1348243071.db2.gz FEYKLODXDBVGIV-ZQTWVHHBSA-N 2 0 349.563 3.029 20 0 EGADRP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050576987 1348292445 /nfs/dbraw/zinc/29/24/45/1348292445.db2.gz KFEYBVJWBQZKCE-LJQANCHMSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001079849061 1357400631 /nfs/dbraw/zinc/40/06/31/1357400631.db2.gz NJCBLABOWHNSSK-MISYRCLQSA-N 2 0 347.547 3.186 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001079848526 1357400891 /nfs/dbraw/zinc/40/08/91/1357400891.db2.gz AIICFKKGHHTFRN-FGTMMUONSA-N 2 0 337.552 3.122 20 0 EGADRP CCCC[NH+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001050700903 1348330886 /nfs/dbraw/zinc/33/08/86/1348330886.db2.gz OKRWBXZGDWVLIO-UHFFFAOYSA-N 2 0 343.515 3.086 20 0 EGADRP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001052377726 1348535898 /nfs/dbraw/zinc/53/58/98/1348535898.db2.gz QRWFWIWSVOGDDE-SFHVURJKSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378990 1348536225 /nfs/dbraw/zinc/53/62/25/1348536225.db2.gz ZKCYCSXUQYEHRQ-ROUUACIJSA-N 2 0 337.552 3.268 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381406 1348537002 /nfs/dbraw/zinc/53/70/02/1348537002.db2.gz PZDAXGSWJOOMGM-MOPGFXCFSA-N 2 0 349.563 3.268 20 0 EGADRP CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381482 1348537124 /nfs/dbraw/zinc/53/71/24/1348537124.db2.gz RTMBSMNCVAPVJS-ROUUACIJSA-N 2 0 335.536 3.022 20 0 EGADRP Cc1c(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)CC2)ccc2c[nH+]cn21 ZINC001052513899 1348563793 /nfs/dbraw/zinc/56/37/93/1348563793.db2.gz KOQWSCJZRYKRIB-KRWDZBQOSA-N 2 0 340.471 3.027 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515200 1348563821 /nfs/dbraw/zinc/56/38/21/1348563821.db2.gz BHGYRHRQPQIQKL-OALUTQOASA-N 2 0 337.552 3.124 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934086 1348754268 /nfs/dbraw/zinc/75/42/68/1348754268.db2.gz HRGGHTBQLDPWRW-PMACEKPBSA-N 2 0 343.515 3.204 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052955063 1348768064 /nfs/dbraw/zinc/76/80/64/1348768064.db2.gz YGWZEUXWPHVHFB-FXAWDEMLSA-N 2 0 345.531 3.379 20 0 EGADRP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028463 1348827528 /nfs/dbraw/zinc/82/75/28/1348827528.db2.gz MEABUGWMKNKLLF-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001053051392 1348855278 /nfs/dbraw/zinc/85/52/78/1348855278.db2.gz OIGVVUXRYOQCOQ-WOJBJXKFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054159463 1349161487 /nfs/dbraw/zinc/16/14/87/1349161487.db2.gz VVCSXDLTBCLBBQ-CTNGQTDRSA-N 2 0 349.563 3.077 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197748 1349200581 /nfs/dbraw/zinc/20/05/81/1349200581.db2.gz HSBBIGPUKYFZKY-NQIIRXRSSA-N 2 0 349.563 3.221 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCC(C)(C)C)C2 ZINC001054259405 1349255154 /nfs/dbraw/zinc/25/51/54/1349255154.db2.gz YKDFPLMXJKORTL-IBGZPJMESA-N 2 0 343.515 3.149 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001054296293 1349301327 /nfs/dbraw/zinc/30/13/27/1349301327.db2.gz OQKZEWIWIOGDHU-IPELMVKDSA-N 2 0 349.494 3.054 20 0 EGADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)c1ccccc1 ZINC001054298344 1349302267 /nfs/dbraw/zinc/30/22/67/1349302267.db2.gz VPGNLSGURWGKED-QRVBRYPASA-N 2 0 331.504 3.059 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001080021562 1357460809 /nfs/dbraw/zinc/46/08/09/1357460809.db2.gz FWVDZUMTSBLYJW-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001054648126 1349428166 /nfs/dbraw/zinc/42/81/66/1349428166.db2.gz HYBABXIGUXIFTG-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037003 1357463522 /nfs/dbraw/zinc/46/35/22/1357463522.db2.gz BCEPWFPMCLHNPJ-IEBWSBKVSA-N 2 0 347.547 3.022 20 0 EGADRP C[C@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554246 1357677029 /nfs/dbraw/zinc/67/70/29/1357677029.db2.gz HVINHQSYWCKWPR-KZNAEPCWSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@@H+]1CCC(C)(C)C ZINC001071606011 1354791648 /nfs/dbraw/zinc/79/16/48/1354791648.db2.gz FJMNTGQGRWSJHG-MSOLQXFVSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCCC1CCC1 ZINC001071645254 1354824265 /nfs/dbraw/zinc/82/42/65/1354824265.db2.gz IFXINJYZFZOCGQ-PKOBYXMFSA-N 2 0 347.547 3.164 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CC1CCCCC1 ZINC001071645605 1354824304 /nfs/dbraw/zinc/82/43/04/1354824304.db2.gz LDGGJWAJUNZCPP-IEBWSBKVSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071701669 1354859997 /nfs/dbraw/zinc/85/99/97/1354859997.db2.gz MCTBZGGUIHDFON-MJGOQNOKSA-N 2 0 345.531 3.029 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CCCC1CCC1 ZINC001071822203 1354961709 /nfs/dbraw/zinc/96/17/09/1354961709.db2.gz VTXPTAMKPFIIHL-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@@H+]1CC1CCCCC1 ZINC001071821643 1354962853 /nfs/dbraw/zinc/96/28/53/1354962853.db2.gz ROVJYVUFIWPGJA-HKUYNNGSSA-N 2 0 349.563 3.268 20 0 EGADRP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919682 1355024306 /nfs/dbraw/zinc/02/43/06/1355024306.db2.gz GFYKKYFYELVKPK-PKOBYXMFSA-N 2 0 337.552 3.124 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC1CCCCCC1 ZINC001072081006 1355118252 /nfs/dbraw/zinc/11/82/52/1355118252.db2.gz FJVLRIARTWDIDL-PKOBYXMFSA-N 2 0 335.536 3.022 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1CCC1CC1 ZINC001072099491 1355129341 /nfs/dbraw/zinc/12/93/41/1355129341.db2.gz RMYQYLDCHORYHY-APWZRJJASA-N 2 0 343.515 3.131 20 0 EGADRP C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001072288593 1355221990 /nfs/dbraw/zinc/22/19/90/1355221990.db2.gz NYLIFNOOESTKJX-HKUYNNGSSA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001072301476 1355228663 /nfs/dbraw/zinc/22/86/63/1355228663.db2.gz QVRZFKFZFANQKA-PKOBYXMFSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001072309952 1355232360 /nfs/dbraw/zinc/23/23/60/1355232360.db2.gz OUPFRYIWJDEPOS-SJORKVTESA-N 2 0 337.552 3.122 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882594 1355482368 /nfs/dbraw/zinc/48/23/68/1355482368.db2.gz FRWCDBYZLSJJBE-QGZVFWFLSA-N 2 0 349.563 3.220 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001072989928 1355536312 /nfs/dbraw/zinc/53/63/12/1355536312.db2.gz PVROBHVQUODUDJ-OALUTQOASA-N 2 0 343.515 3.012 20 0 EGADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCC1CCCCCC1)C2)[NH+](C)C ZINC001072990785 1355536717 /nfs/dbraw/zinc/53/67/17/1355536717.db2.gz GINHYPCTIHIONL-IBGZPJMESA-N 2 0 349.563 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)[NH+](C)C ZINC001074028635 1356042994 /nfs/dbraw/zinc/04/29/94/1356042994.db2.gz DSMQPYHVOVNJEU-QZTJIDSGSA-N 2 0 337.552 3.076 20 0 EGADRP C[N@H+](C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1)CC1CCCCCC1 ZINC001074100059 1356082969 /nfs/dbraw/zinc/08/29/69/1356082969.db2.gz OIBXHUFMNUTLCC-HXUWFJFHSA-N 2 0 349.563 3.366 20 0 EGADRP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C)cs1 ZINC001074649291 1356221064 /nfs/dbraw/zinc/22/10/64/1356221064.db2.gz VVWFOQDMIGTXDT-RYQLBKOJSA-N 2 0 349.544 3.008 20 0 EGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C)c1ccccc1 ZINC001074728848 1356228537 /nfs/dbraw/zinc/22/85/37/1356228537.db2.gz HHAURTXOWWKBQB-GUXCAODWSA-N 2 0 348.450 3.288 20 0 EGADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C)c1ccccc1 ZINC001074809597 1356249937 /nfs/dbraw/zinc/24/99/37/1356249937.db2.gz UAZDFCUBURDZGN-RNQOJCNYSA-N 2 0 343.515 3.201 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074812058 1356251032 /nfs/dbraw/zinc/25/10/32/1356251032.db2.gz VYNCOWRZXAUMQX-WDSOQIARSA-N 2 0 335.536 3.020 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001074877504 1356276896 /nfs/dbraw/zinc/27/68/96/1356276896.db2.gz CEJLMIXURRVVJG-BJLQDIEVSA-N 2 0 349.563 3.410 20 0 EGADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C)[NH+](C)C ZINC001074885531 1356279693 /nfs/dbraw/zinc/27/96/93/1356279693.db2.gz JXWQKOVYXLMLTO-SZMVWBNQSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461538 1356394888 /nfs/dbraw/zinc/39/48/88/1356394888.db2.gz KQCANQJXTVCDGQ-MOPGFXCFSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183255143 1387286551 /nfs/dbraw/zinc/28/65/51/1387286551.db2.gz KGZFXVVEQFVZOJ-UXHICEINSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257595 1363718004 /nfs/dbraw/zinc/71/80/04/1363718004.db2.gz IIBLEHWMCWTLBV-LJQANCHMSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082559073 1358057270 /nfs/dbraw/zinc/05/72/70/1358057270.db2.gz RNUDRXYMHBUUBT-BHIYHBOVSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001082943829 1358107043 /nfs/dbraw/zinc/10/70/43/1358107043.db2.gz HYRHPDKDXNVFON-RLLQIKCJSA-N 2 0 347.547 3.044 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701027 1358286164 /nfs/dbraw/zinc/28/61/64/1358286164.db2.gz LAICNWBAFZFLFD-DFQSSKMNSA-N 2 0 349.563 3.220 20 0 EGADRP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001085198996 1358431322 /nfs/dbraw/zinc/43/13/22/1358431322.db2.gz RYUMBFRZWDBBTC-CSODTCANSA-N 2 0 349.563 3.314 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085245424 1358442850 /nfs/dbraw/zinc/44/28/50/1358442850.db2.gz XIOJEESGCJMWOP-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085389700 1358486485 /nfs/dbraw/zinc/48/64/85/1358486485.db2.gz RZNIMTZDFSCWNP-AQNXPRMDSA-N 2 0 349.563 3.458 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085593831 1358620316 /nfs/dbraw/zinc/62/03/16/1358620316.db2.gz SGEIXBZAYCSNFN-UXHICEINSA-N 2 0 347.547 3.282 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085779338 1358754053 /nfs/dbraw/zinc/75/40/53/1358754053.db2.gz SQEDWWADHCPVBI-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCC1 ZINC001085918645 1358878437 /nfs/dbraw/zinc/87/84/37/1358878437.db2.gz JKJAHVSKUBXHCD-PMACEKPBSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086413379 1359090968 /nfs/dbraw/zinc/09/09/68/1359090968.db2.gz FVOFFXBPHAVIEK-UFYCRDLUSA-N 2 0 347.547 3.092 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086558707 1359145136 /nfs/dbraw/zinc/14/51/36/1359145136.db2.gz LEOLMMWXHQADBP-PWKSQPCKSA-N 2 0 349.563 3.172 20 0 EGADRP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941120 1359263247 /nfs/dbraw/zinc/26/32/47/1359263247.db2.gz JUJNXERVAUGCAL-SFHVURJKSA-N 2 0 349.563 3.221 20 0 EGADRP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947446 1359269275 /nfs/dbraw/zinc/26/92/75/1359269275.db2.gz YNGHFMRBKCDRAD-MOPGFXCFSA-N 2 0 349.563 3.364 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)CC1 ZINC001086951517 1359271693 /nfs/dbraw/zinc/27/16/93/1359271693.db2.gz HENQSQKLDINUBL-SFHVURJKSA-N 2 0 349.563 3.218 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001087212537 1359322931 /nfs/dbraw/zinc/32/29/31/1359322931.db2.gz GBNFRYQKILOOAN-HBFSDRIKSA-N 2 0 347.547 3.188 20 0 EGADRP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087236210 1359328240 /nfs/dbraw/zinc/32/82/40/1359328240.db2.gz MJEXCHBOFJFFOT-HOJAQTOUSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087318444 1359410111 /nfs/dbraw/zinc/41/01/11/1359410111.db2.gz XVFHNZDUDPIAAX-NZSAHSFTSA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC1CCCC1 ZINC001087567469 1359534395 /nfs/dbraw/zinc/53/43/95/1359534395.db2.gz QPKPGFWLIRRCAW-IPMKNSEASA-N 2 0 335.536 3.019 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572345 1359537278 /nfs/dbraw/zinc/53/72/78/1359537278.db2.gz MZYHGUUSLDWPKI-FGTMMUONSA-N 2 0 337.552 3.266 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1CC ZINC001087593816 1359547558 /nfs/dbraw/zinc/54/75/58/1359547558.db2.gz XFCYMPXAIJMULT-XUVXKRRUSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1CC ZINC001087593732 1359547715 /nfs/dbraw/zinc/54/77/15/1359547715.db2.gz UBPBYYYXYHBPSG-KSZLIROESA-N 2 0 349.544 3.092 20 0 EGADRP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CC=C(C)C ZINC001087838305 1359672493 /nfs/dbraw/zinc/67/24/93/1359672493.db2.gz ALNGSZSMIDWJRE-VQTJNVASSA-N 2 0 343.515 3.297 20 0 EGADRP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839625 1359673508 /nfs/dbraw/zinc/67/35/08/1359673508.db2.gz LQHQPEKFGOTPEW-GBESFXJTSA-N 2 0 349.494 3.079 20 0 EGADRP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211469 1359796686 /nfs/dbraw/zinc/79/66/86/1359796686.db2.gz LTHNBIMDURJVQY-UXHICEINSA-N 2 0 349.563 3.079 20 0 EGADRP C[NH+](C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001088327049 1359831364 /nfs/dbraw/zinc/83/13/64/1359831364.db2.gz FDEKQGNZEDRZKR-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327196 1359831684 /nfs/dbraw/zinc/83/16/84/1359831684.db2.gz HSIZVYKUEZEESY-PKOBYXMFSA-N 2 0 335.536 3.163 20 0 EGADRP Cc1cccnc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001323660031 1387419188 /nfs/dbraw/zinc/41/91/88/1387419188.db2.gz ODWWEVYOGQCYHK-UHFFFAOYSA-N 2 0 338.499 3.082 20 0 EGADRP CC(C)(C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001088356787 1359841152 /nfs/dbraw/zinc/84/11/52/1359841152.db2.gz KFJMJTKJJRQQRH-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001088374540 1359856308 /nfs/dbraw/zinc/85/63/08/1359856308.db2.gz KHLAJUSTIAYQCH-HXUWFJFHSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399161 1359873707 /nfs/dbraw/zinc/87/37/07/1359873707.db2.gz CLXIEEUZPAJPSZ-IBGZPJMESA-N 2 0 331.504 3.131 20 0 EGADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088414176 1359884989 /nfs/dbraw/zinc/88/49/89/1359884989.db2.gz YYTMSXAZLNTIBK-WOJBJXKFSA-N 2 0 349.563 3.269 20 0 EGADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@@H]2C)CC[N@@H+]1C ZINC001088578062 1359978325 /nfs/dbraw/zinc/97/83/25/1359978325.db2.gz DOFHZNUNULDSKY-RWQQGDIJSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088622266 1359994070 /nfs/dbraw/zinc/99/40/70/1359994070.db2.gz OHFJSBGUFWQBCN-HOJAQTOUSA-N 2 0 349.563 3.409 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCCC1CCCC1 ZINC001088702763 1360016957 /nfs/dbraw/zinc/01/69/57/1360016957.db2.gz IBMJVCKUDWZSFK-MJGOQNOKSA-N 2 0 347.547 3.164 20 0 EGADRP CC(C)C[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001323721441 1387431124 /nfs/dbraw/zinc/43/11/24/1387431124.db2.gz ICOXWXAJIWYMHG-LJQANCHMSA-N 2 0 339.568 3.370 20 0 EGADRP CCC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CCCCCC1 ZINC001323723382 1387433954 /nfs/dbraw/zinc/43/39/54/1387433954.db2.gz YOGSOTYIVMKRJS-UHFFFAOYSA-N 2 0 337.552 3.413 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001089060948 1360152516 /nfs/dbraw/zinc/15/25/16/1360152516.db2.gz PAPKUIWKRSVXLP-NEWSRXKRSA-N 2 0 335.536 3.020 20 0 EGADRP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)[C@H](C)c1ccccc1)[NH+](C)C ZINC001089192083 1360241440 /nfs/dbraw/zinc/24/14/40/1360241440.db2.gz OWMYZNLLGLFEHF-YZGWKJHDSA-N 2 0 345.531 3.401 20 0 EGADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383401 1360385527 /nfs/dbraw/zinc/38/55/27/1360385527.db2.gz YCFANCNTTFZFBA-QZTJIDSGSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406694 1360404854 /nfs/dbraw/zinc/40/48/54/1360404854.db2.gz QRJWLRHWJCXKHR-FUHWJXTLSA-N 2 0 335.536 3.020 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089428567 1360420449 /nfs/dbraw/zinc/42/04/49/1360420449.db2.gz ZGQZDYAUXZSVIV-ROUUACIJSA-N 2 0 337.552 3.122 20 0 EGADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493624 1360470690 /nfs/dbraw/zinc/47/06/90/1360470690.db2.gz YLVYDTGUVWTDTP-MSOLQXFVSA-N 2 0 337.552 3.124 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089639162 1360552581 /nfs/dbraw/zinc/55/25/81/1360552581.db2.gz OYBQBFNEIOGXBW-MOPGFXCFSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)CC[N@@H+]1C ZINC001089643056 1360556115 /nfs/dbraw/zinc/55/61/15/1360556115.db2.gz RJSLNOGXSPVHEK-BHIYHBOVSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089647057 1360560396 /nfs/dbraw/zinc/56/03/96/1360560396.db2.gz RTCYWPMFYRZXJZ-ZWKOTPCHSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CC2)C1 ZINC001089683772 1360589910 /nfs/dbraw/zinc/58/99/10/1360589910.db2.gz FXAQGRIFZIXHNJ-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717788 1360619321 /nfs/dbraw/zinc/61/93/21/1360619321.db2.gz DVIZTBVEAYQZNC-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCCC2)C1 ZINC001089732098 1360635773 /nfs/dbraw/zinc/63/57/73/1360635773.db2.gz MCHZOYGUYIUGJU-OALUTQOASA-N 2 0 349.563 3.125 20 0 EGADRP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001091202033 1361005905 /nfs/dbraw/zinc/00/59/05/1361005905.db2.gz MYKCRHMGIHYXQG-VHBXLISGSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184578079 1387497541 /nfs/dbraw/zinc/49/75/41/1387497541.db2.gz QPNMLEDBQSRQQV-MGBKSAOESA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091721073 1361191209 /nfs/dbraw/zinc/19/12/09/1361191209.db2.gz PDARLLOBGMGISY-OPYAIIAOSA-N 2 0 349.563 3.077 20 0 EGADRP CC(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907469 1361484199 /nfs/dbraw/zinc/48/41/99/1361484199.db2.gz OBRFTEBULHBWGB-GGPKGHCWSA-N 2 0 349.563 3.124 20 0 EGADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001184722426 1387520424 /nfs/dbraw/zinc/52/04/24/1387520424.db2.gz BSOKHCSQCTXKJV-ZWKOTPCHSA-N 2 0 349.563 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093806301 1361699868 /nfs/dbraw/zinc/69/98/68/1361699868.db2.gz VKBOAKFFXBJGRO-RLLQIKCJSA-N 2 0 347.547 3.045 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001093822446 1361701718 /nfs/dbraw/zinc/70/17/18/1361701718.db2.gz RBMOUFKMBMBONJ-RLLQIKCJSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416516 1361791600 /nfs/dbraw/zinc/79/16/00/1361791600.db2.gz XFXOGTVUKRDBAY-YFVAEKQCSA-N 2 0 347.547 3.022 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cncc(C(F)(F)F)c1 ZINC001324086977 1387535995 /nfs/dbraw/zinc/53/59/95/1387535995.db2.gz FOFWNUFYHOQEJD-UHFFFAOYSA-N 2 0 347.300 3.242 20 0 EGADRP CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094950571 1361958087 /nfs/dbraw/zinc/95/80/87/1361958087.db2.gz LAWRLKMMJSOMNO-BQFCYCMXSA-N 2 0 335.536 3.017 20 0 EGADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001095530482 1362162445 /nfs/dbraw/zinc/16/24/45/1362162445.db2.gz OBXIIMBDTBEAJD-RDGPPVDQSA-N 2 0 349.563 3.122 20 0 EGADRP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605500 1362594003 /nfs/dbraw/zinc/59/40/03/1362594003.db2.gz RRAYMAOUARGKBZ-HOJAQTOUSA-N 2 0 341.499 3.050 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097074631 1362834373 /nfs/dbraw/zinc/83/43/73/1362834373.db2.gz ICLXOJONDCANJF-KURKYZTESA-N 2 0 349.563 3.409 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001324334117 1387594947 /nfs/dbraw/zinc/59/49/47/1387594947.db2.gz KAQLCJNBKXPSIV-KRWDZBQOSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097405619 1362975299 /nfs/dbraw/zinc/97/52/99/1362975299.db2.gz OLYVFUJPLGZARC-YRXWBPOGSA-N 2 0 349.563 3.265 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097550654 1363054754 /nfs/dbraw/zinc/05/47/54/1363054754.db2.gz ASCAJMZACSUTFX-QRQLOZEOSA-N 2 0 340.471 3.106 20 0 EGADRP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580095 1363060313 /nfs/dbraw/zinc/06/03/13/1363060313.db2.gz RDVGNQQDAYWFCJ-AKHDSKFASA-N 2 0 347.547 3.019 20 0 EGADRP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705568 1363105608 /nfs/dbraw/zinc/10/56/08/1363105608.db2.gz QWPYMNQZSDQTSI-ZRNYENFQSA-N 2 0 347.547 3.161 20 0 EGADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC001324387502 1387617016 /nfs/dbraw/zinc/61/70/16/1387617016.db2.gz BDSUQULBGABQMG-HSZRJFAPSA-N 2 0 330.497 3.118 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185120502 1387622827 /nfs/dbraw/zinc/62/28/27/1387622827.db2.gz RDAYWQNMMMVDHW-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2 ZINC001098835297 1363487694 /nfs/dbraw/zinc/48/76/94/1363487694.db2.gz NZUZEOJAFBJRGP-ZVDOUQERSA-N 2 0 347.547 3.020 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976244 1363551252 /nfs/dbraw/zinc/55/12/52/1363551252.db2.gz RMEIEXDBWUANDP-QZTJIDSGSA-N 2 0 337.552 3.268 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116353 1363632336 /nfs/dbraw/zinc/63/23/36/1363632336.db2.gz QYDBWTDQHYYARH-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1)[NH+](C)C ZINC001099126397 1363638656 /nfs/dbraw/zinc/63/86/56/1363638656.db2.gz RVPTWUPQICFVRA-RBUKOAKNSA-N 2 0 349.563 3.434 20 0 EGADRP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001099129883 1363641893 /nfs/dbraw/zinc/64/18/93/1363641893.db2.gz CTXMIKULILHTEP-GOSISDBHSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099198830 1363687720 /nfs/dbraw/zinc/68/77/20/1363687720.db2.gz FZARVOZVOKHEOE-LJQANCHMSA-N 2 0 345.531 3.135 20 0 EGADRP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215770 1363696686 /nfs/dbraw/zinc/69/66/86/1363696686.db2.gz ZLPFCXUTAMYLTM-QGZVFWFLSA-N 2 0 325.541 3.125 20 0 EGADRP CC1(C)CC[N@H+](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CC2)C1 ZINC001099239649 1363708265 /nfs/dbraw/zinc/70/82/65/1363708265.db2.gz IHNXHIQSNREYDZ-SFHVURJKSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240561 1363709641 /nfs/dbraw/zinc/70/96/41/1363709641.db2.gz SJWWUYFHWVFFSB-ROUUACIJSA-N 2 0 339.568 3.370 20 0 EGADRP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099275451 1363726736 /nfs/dbraw/zinc/72/67/36/1363726736.db2.gz DWGFXOLJXQROFI-GOSISDBHSA-N 2 0 339.568 3.371 20 0 EGADRP C[NH+](C)CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099309934 1363742209 /nfs/dbraw/zinc/74/22/09/1363742209.db2.gz HBNPLNMEXFZSOT-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1cncn1C ZINC001099324348 1363751369 /nfs/dbraw/zinc/75/13/69/1363751369.db2.gz KMWRNWQWMJOOBU-SFHVURJKSA-N 2 0 348.535 3.006 20 0 EGADRP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099535513 1363837526 /nfs/dbraw/zinc/83/75/26/1363837526.db2.gz GXTCGEPBUYUSPB-MUGJNUQGSA-N 2 0 349.563 3.077 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319328 1364079161 /nfs/dbraw/zinc/07/91/61/1364079161.db2.gz HRKCZMNRRDNQEE-SBDAGSLNSA-N 2 0 335.536 3.090 20 0 EGADRP CC(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001100333179 1364082523 /nfs/dbraw/zinc/08/25/23/1364082523.db2.gz ZBHZKHGZTLLRMY-XBMUEBEBSA-N 2 0 349.563 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001100383301 1364097378 /nfs/dbraw/zinc/09/73/78/1364097378.db2.gz UREKSUOSIMWAAQ-XIMCWOHTSA-N 2 0 335.536 3.092 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]C2CC(CNC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001100411679 1364105594 /nfs/dbraw/zinc/10/55/94/1364105594.db2.gz MUOBSCNYMFZWJQ-MUYFXNHWSA-N 2 0 343.515 3.025 20 0 EGADRP CC/C=C/CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001100468005 1364125962 /nfs/dbraw/zinc/12/59/62/1364125962.db2.gz YJGUSDPHROAJFF-SNAWJCMRSA-N 2 0 340.471 3.097 20 0 EGADRP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471261 1364126564 /nfs/dbraw/zinc/12/65/64/1364126564.db2.gz WLVKZRDZQQFIHV-JSEXARSYSA-N 2 0 349.563 3.338 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001100531867 1364149695 /nfs/dbraw/zinc/14/96/95/1364149695.db2.gz OARQMRDIDISQJG-UHFFFAOYSA-N 2 0 345.531 3.079 20 0 EGADRP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100534743 1364150413 /nfs/dbraw/zinc/15/04/13/1364150413.db2.gz AOKURNZPNUZRCJ-KVZIAJEVSA-N 2 0 349.563 3.172 20 0 EGADRP C[NH+](C)C1(CC(=O)NCC2CC([NH2+]CCC3CCCC3)C2)CCCC1 ZINC001100538308 1364151243 /nfs/dbraw/zinc/15/12/43/1364151243.db2.gz NPENIJWRNZAUQU-UHFFFAOYSA-N 2 0 349.563 3.316 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CCCC(C)C)C2)C1 ZINC001100599036 1364182993 /nfs/dbraw/zinc/18/29/93/1364182993.db2.gz KYLFNSGKQVWQHP-JLAWEPINSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCCC(C)C)C1)[NH+](CC)CC ZINC001100669265 1364211159 /nfs/dbraw/zinc/21/11/59/1364211159.db2.gz RNQWHNJTUCDIQY-ABHNRTSZSA-N 2 0 325.541 3.027 20 0 EGADRP CC[C@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)[NH+](CC)CC ZINC001100668673 1364211241 /nfs/dbraw/zinc/21/12/41/1364211241.db2.gz DTNIHFYRNFCEMI-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)C1 ZINC001100678782 1364214644 /nfs/dbraw/zinc/21/46/44/1364214644.db2.gz WQBYPNOASKTKAD-QHGAOEGBSA-N 2 0 349.563 3.173 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001100684505 1364217242 /nfs/dbraw/zinc/21/72/42/1364217242.db2.gz GTFZSCMMUFKZMD-NLPFYKDJSA-N 2 0 345.531 3.135 20 0 EGADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001100684853 1364218069 /nfs/dbraw/zinc/21/80/69/1364218069.db2.gz NTJYRRSDHRHAOF-ACBHZAAOSA-N 2 0 337.552 3.172 20 0 EGADRP CC/C=C\CC[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001101025128 1364379704 /nfs/dbraw/zinc/37/97/04/1364379704.db2.gz WVIDLLDGWAQGBZ-WAYWQWQTSA-N 2 0 343.515 3.203 20 0 EGADRP CCCCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101037999 1364384520 /nfs/dbraw/zinc/38/45/20/1364384520.db2.gz ZAHDLVJVTYJCSS-CTWPCTMYSA-N 2 0 337.552 3.172 20 0 EGADRP O=C(CCCC[NH+]1CCCC1)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001101064249 1364397554 /nfs/dbraw/zinc/39/75/54/1364397554.db2.gz ZFUXXZKXZJCPHU-UHFFFAOYSA-N 2 0 347.547 3.237 20 0 EGADRP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101066665 1364398311 /nfs/dbraw/zinc/39/83/11/1364398311.db2.gz BQMZWSITKJBCTG-SNAWJCMRSA-N 2 0 349.563 3.483 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC)[C@H](C)C1 ZINC001185316006 1387680264 /nfs/dbraw/zinc/68/02/64/1387680264.db2.gz BEDMDYJAHMWGIA-MOPGFXCFSA-N 2 0 339.568 3.373 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362985 1364527919 /nfs/dbraw/zinc/52/79/19/1364527919.db2.gz LUORZIBBWLHDBI-PQUCXPECSA-N 2 0 349.563 3.243 20 0 EGADRP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001101574757 1364628956 /nfs/dbraw/zinc/62/89/56/1364628956.db2.gz BTHFRVDLACDAIS-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001101580104 1364633092 /nfs/dbraw/zinc/63/30/92/1364633092.db2.gz JIEZWMYOYBCTNQ-SFHVURJKSA-N 2 0 337.552 3.124 20 0 EGADRP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001101591346 1364642174 /nfs/dbraw/zinc/64/21/74/1364642174.db2.gz UNYGVNXBRMXHCR-UHFFFAOYSA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C(C)(C)C[NH2+]CC(C)C)CC1 ZINC001101591428 1364642233 /nfs/dbraw/zinc/64/22/33/1364642233.db2.gz ZOXLJHWJVISYCP-UHFFFAOYSA-N 2 0 339.568 3.229 20 0 EGADRP Cc1cccc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001102294295 1364988050 /nfs/dbraw/zinc/98/80/50/1364988050.db2.gz RNMAXEATQFDPFN-QWFCFKBJSA-N 2 0 345.531 3.082 20 0 EGADRP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357736 1365020927 /nfs/dbraw/zinc/02/09/27/1365020927.db2.gz HOVVUILJBRRMFV-BHIYHBOVSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324647132 1387717116 /nfs/dbraw/zinc/71/71/16/1387717116.db2.gz LUPOWIZCILXNEC-DYESRHJHSA-N 2 0 345.531 3.306 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185446464 1387718925 /nfs/dbraw/zinc/71/89/25/1387718925.db2.gz MKXGVFZPCDKIRB-VANUVFSVSA-N 2 0 337.552 3.149 20 0 EGADRP CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]1C ZINC001185471201 1387724095 /nfs/dbraw/zinc/72/40/95/1387724095.db2.gz MEEAPQUGFTXSES-OALUTQOASA-N 2 0 339.568 3.373 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(CC)CC)[C@H](C)C1 ZINC001185547457 1387744823 /nfs/dbraw/zinc/74/48/23/1387744823.db2.gz HKJSKLXJXIDIQZ-MJGOQNOKSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001185548153 1387744898 /nfs/dbraw/zinc/74/48/98/1387744898.db2.gz KJFJVBIKJLURMW-AZUAARDMSA-N 2 0 349.563 3.293 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC2)C[C@H]1C ZINC001103631594 1365689855 /nfs/dbraw/zinc/68/98/55/1365689855.db2.gz UYFSKISTZRKAHT-RLLQIKCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCC)C[C@H]1C ZINC001103631539 1365689871 /nfs/dbraw/zinc/68/98/71/1365689871.db2.gz SCTFCSPIROEVEB-GUDVDZBRSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001103756246 1365767091 /nfs/dbraw/zinc/76/70/91/1365767091.db2.gz YWCQXLQAGLLXLB-QZTJIDSGSA-N 2 0 339.568 3.227 20 0 EGADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001185679243 1387775406 /nfs/dbraw/zinc/77/54/06/1387775406.db2.gz AXMYQRIPHVOKRU-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622218 1366105449 /nfs/dbraw/zinc/10/54/49/1366105449.db2.gz SZMGBZMPPYOGEX-GUDVDZBRSA-N 2 0 345.531 3.082 20 0 EGADRP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753932 1366158052 /nfs/dbraw/zinc/15/80/52/1366158052.db2.gz VQSZLOHHHNXHCN-AQNXPRMDSA-N 2 0 349.563 3.290 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001185764340 1387793218 /nfs/dbraw/zinc/79/32/18/1387793218.db2.gz YHEHGKJHVIRBCV-HKVOBHHDSA-N 2 0 337.552 3.147 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001104938684 1366231788 /nfs/dbraw/zinc/23/17/88/1366231788.db2.gz BKYUCRLLLLAFEX-QWFCFKBJSA-N 2 0 345.531 3.164 20 0 EGADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001105058592 1366299218 /nfs/dbraw/zinc/29/92/18/1366299218.db2.gz NQVSLYWJWMZRRV-UYAOXDASSA-N 2 0 349.563 3.127 20 0 EGADRP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066960 1366304381 /nfs/dbraw/zinc/30/43/81/1366304381.db2.gz HKTHXLPCCKZQLT-JCHUFIKGSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H]2[NH+](C(C)C)CC23CCC3)CC1 ZINC001105396625 1366445519 /nfs/dbraw/zinc/44/55/19/1366445519.db2.gz QMURSPMNQVLLSP-HXUWFJFHSA-N 2 0 349.563 3.220 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([C@H]2[NH+](CCC)CC23CCC3)CC1 ZINC001105396907 1366446057 /nfs/dbraw/zinc/44/60/57/1366446057.db2.gz YRSNTDOCIBLHFF-HXUWFJFHSA-N 2 0 349.563 3.221 20 0 EGADRP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517817 1366504781 /nfs/dbraw/zinc/50/47/81/1366504781.db2.gz KIEURNBPEQWQMR-RTBURBONSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541627 1366520030 /nfs/dbraw/zinc/52/00/30/1366520030.db2.gz GJPHOZLSULNFDG-SFHVURJKSA-N 2 0 335.536 3.020 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210975 1366624904 /nfs/dbraw/zinc/62/49/04/1366624904.db2.gz LIBPTGPEBWIXBW-DSTKZSRVSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249589 1366633622 /nfs/dbraw/zinc/63/36/22/1366633622.db2.gz LLPHBQXANNJPHK-QWFCFKBJSA-N 2 0 349.563 3.124 20 0 EGADRP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106776362 1366794748 /nfs/dbraw/zinc/79/47/48/1366794748.db2.gz IYAWGGBALIAKTQ-GUDVDZBRSA-N 2 0 339.568 3.227 20 0 EGADRP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106905119 1366829146 /nfs/dbraw/zinc/82/91/46/1366829146.db2.gz BJDXINIRDJVJTP-FAPWYTRCSA-N 2 0 337.552 3.149 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)(C)C)CC2 ZINC001107329417 1366930229 /nfs/dbraw/zinc/93/02/29/1366930229.db2.gz TVPLKJKXMOEWMN-WAOWUJCRSA-N 2 0 349.563 3.268 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001107454398 1366968785 /nfs/dbraw/zinc/96/87/85/1366968785.db2.gz FPVJHLNUKDDLAL-WIYYLYMNSA-N 2 0 349.563 3.268 20 0 EGADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)[NH+](CC)CC ZINC001107544201 1367034741 /nfs/dbraw/zinc/03/47/41/1367034741.db2.gz RDTFPUNMJGJPPA-QKNQBKEWSA-N 2 0 349.563 3.268 20 0 EGADRP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107586941 1367058536 /nfs/dbraw/zinc/05/85/36/1367058536.db2.gz FCCDVWSLUVVJEZ-TZIWHRDSSA-N 2 0 349.563 3.269 20 0 EGADRP O=C(CCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001107643780 1367089533 /nfs/dbraw/zinc/08/95/33/1367089533.db2.gz STBRRBBZRFTJRB-TZIWHRDSSA-N 2 0 347.547 3.023 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646758 1367092116 /nfs/dbraw/zinc/09/21/16/1367092116.db2.gz UWHNKRKRQJGCGC-YKMDAGRBSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174607 1367190332 /nfs/dbraw/zinc/19/03/32/1367190332.db2.gz GPVKEPXVAPCNEZ-AZUAARDMSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555494 1367194833 /nfs/dbraw/zinc/19/48/33/1367194833.db2.gz SXNOHFBOCORTNK-FUMNGEBKSA-N 2 0 347.547 3.019 20 0 EGADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)(C)C)CC[N@@H+]1C ZINC001109643451 1367260623 /nfs/dbraw/zinc/26/06/23/1367260623.db2.gz IBIVVKPHGQBRLO-OYSTVDSJSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719664 1367292228 /nfs/dbraw/zinc/29/22/28/1367292228.db2.gz JXALZQZIOQHFNW-RDGPPVDQSA-N 2 0 349.563 3.122 20 0 EGADRP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190655151 1367318832 /nfs/dbraw/zinc/31/88/32/1367318832.db2.gz OATPXGRFPTYURY-MOPGFXCFSA-N 2 0 337.552 3.362 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190656385 1367320368 /nfs/dbraw/zinc/32/03/68/1367320368.db2.gz STOQJVVLBVPUCF-ZWKOTPCHSA-N 2 0 337.552 3.218 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744598 1367341321 /nfs/dbraw/zinc/34/13/21/1367341321.db2.gz SJXLOBIFDLATDE-LXORQPIJSA-N 2 0 335.536 3.140 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001190996473 1367398272 /nfs/dbraw/zinc/39/82/72/1367398272.db2.gz FTFBTGLCQSWVNS-HZPDHXFCSA-N 2 0 349.494 3.150 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1cccc(C)c1 ZINC001109934266 1367411744 /nfs/dbraw/zinc/41/17/44/1367411744.db2.gz XKKSAZYENAGHQP-LMCOJAPRSA-N 2 0 343.515 3.119 20 0 EGADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082512 1367420728 /nfs/dbraw/zinc/42/07/28/1367420728.db2.gz ZSAWUCGMVZEZLN-RTBURBONSA-N 2 0 337.552 3.076 20 0 EGADRP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001191257018 1367460805 /nfs/dbraw/zinc/46/08/05/1367460805.db2.gz HWXAVCKPXPLNDC-ICSRJNTNSA-N 2 0 345.531 3.400 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001110111856 1367506832 /nfs/dbraw/zinc/50/68/32/1367506832.db2.gz XEDUYKLJURYILM-AABGKKOBSA-N 2 0 347.547 3.164 20 0 EGADRP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506600 1367516682 /nfs/dbraw/zinc/51/66/82/1367516682.db2.gz ADJRWOCUYGJWPT-KPDZFXRVSA-N 2 0 347.547 3.140 20 0 EGADRP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191541730 1367524315 /nfs/dbraw/zinc/52/43/15/1367524315.db2.gz BLKHRPLDPHCQTF-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153600 1367527828 /nfs/dbraw/zinc/52/78/28/1367527828.db2.gz CBMRQERZOVOHPY-QYZOEREBSA-N 2 0 335.536 3.020 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@H+](C)CCC3CCCC3)C2)CCCC1 ZINC001191560346 1367527982 /nfs/dbraw/zinc/52/79/82/1367527982.db2.gz CYFXBCSLBYZCMN-LJQANCHMSA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001110158695 1367530333 /nfs/dbraw/zinc/53/03/33/1367530333.db2.gz UKQVQUPLQXIACA-FTVQKVBOSA-N 2 0 347.547 3.329 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717426 1367553625 /nfs/dbraw/zinc/55/36/25/1367553625.db2.gz KGKQAWHNXVZEKW-BZSNNMDCSA-N 2 0 337.552 3.266 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828706 1367623997 /nfs/dbraw/zinc/62/39/97/1367623997.db2.gz YOPRIZHEDLSDHD-PRVURJPBSA-N 2 0 347.547 3.188 20 0 EGADRP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950006 1367647499 /nfs/dbraw/zinc/64/74/99/1367647499.db2.gz SEFOGZZNDSMZRT-WOJBJXKFSA-N 2 0 349.563 3.362 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+](C)CC3CCC(C)(C)CC3)C2)CC1 ZINC001192015820 1367664656 /nfs/dbraw/zinc/66/46/56/1367664656.db2.gz AEQTWGKJUWNKHI-GOSISDBHSA-N 2 0 349.563 3.077 20 0 EGADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1)[NH+](CC)CC ZINC001192326881 1367753758 /nfs/dbraw/zinc/75/37/58/1367753758.db2.gz UOHZPVQDLWBHLQ-QZTJIDSGSA-N 2 0 325.541 3.076 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)CCC1 ZINC001110664533 1367906156 /nfs/dbraw/zinc/90/61/56/1367906156.db2.gz QOPLOIGPVAQMFB-QRVBRYPASA-N 2 0 347.547 3.163 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001110684264 1367926364 /nfs/dbraw/zinc/92/63/64/1367926364.db2.gz CNCOSLSWSKPLKI-NMLBUPMWSA-N 2 0 345.531 3.083 20 0 EGADRP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754445 1367961453 /nfs/dbraw/zinc/96/14/53/1367961453.db2.gz NDYPZJDLQQAAOW-YSTOQKLRSA-N 2 0 349.563 3.265 20 0 EGADRP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408262 1368020685 /nfs/dbraw/zinc/02/06/85/1368020685.db2.gz HDXGTSFUDAQSAD-FPOVZHCZSA-N 2 0 345.531 3.042 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001111233072 1368209012 /nfs/dbraw/zinc/20/90/12/1368209012.db2.gz GGTDDVDHNGDSBO-QRVBRYPASA-N 2 0 347.547 3.020 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001194265400 1368219225 /nfs/dbraw/zinc/21/92/25/1368219225.db2.gz CVFANMPDTFVGEE-MSOLQXFVSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293572 1368225360 /nfs/dbraw/zinc/22/53/60/1368225360.db2.gz IBXMGYBGUYWFCJ-RTBURBONSA-N 2 0 349.494 3.150 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH+](C)[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001194293765 1368225595 /nfs/dbraw/zinc/22/55/95/1368225595.db2.gz JAAMSMWVPYQCDK-MOPGFXCFSA-N 2 0 345.531 3.237 20 0 EGADRP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416801 1368303490 /nfs/dbraw/zinc/30/34/90/1368303490.db2.gz SUKGGPIONFXEEU-AQNXPRMDSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111458533 1368310236 /nfs/dbraw/zinc/31/02/36/1368310236.db2.gz DHFYNGRSQNCMEW-JKKVLMFISA-N 2 0 347.547 3.330 20 0 EGADRP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001111463210 1368311633 /nfs/dbraw/zinc/31/16/33/1368311633.db2.gz DRUUIJZZQREUQS-YRXWBPOGSA-N 2 0 335.536 3.163 20 0 EGADRP CC(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111816949 1368479359 /nfs/dbraw/zinc/47/93/59/1368479359.db2.gz GBYINSRXRCMYOY-RXVVDRJESA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195845440 1368501964 /nfs/dbraw/zinc/50/19/64/1368501964.db2.gz JGKJJKCOOPKYNF-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196164240 1368560782 /nfs/dbraw/zinc/56/07/82/1368560782.db2.gz ZFDWKMCOUKWTGD-LJQANCHMSA-N 2 0 335.536 3.118 20 0 EGADRP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163686 1368561500 /nfs/dbraw/zinc/56/15/00/1368561500.db2.gz SADRDOLTTMWQFI-HXUWFJFHSA-N 2 0 349.563 3.364 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388957 1368603858 /nfs/dbraw/zinc/60/38/58/1368603858.db2.gz XJPBTSGHYGISAM-ROUKRRSUSA-N 2 0 349.563 3.388 20 0 EGADRP CCC(CC)C[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197141931 1368753522 /nfs/dbraw/zinc/75/35/22/1368753522.db2.gz PPDPDLFFMGPGGK-SFHVURJKSA-N 2 0 325.541 3.077 20 0 EGADRP CCCCCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197331541 1368790535 /nfs/dbraw/zinc/79/05/35/1368790535.db2.gz MOKRCALZDXYEFG-IBGZPJMESA-N 2 0 337.552 3.366 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001112425493 1368841848 /nfs/dbraw/zinc/84/18/48/1368841848.db2.gz ONQVTQQSNFBJKN-NSHGMRRFSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1)[NH+](CC)CC ZINC001112528480 1368915427 /nfs/dbraw/zinc/91/54/27/1368915427.db2.gz DQDPWTLHGVGWMH-ZJOUEHCJSA-N 2 0 349.563 3.125 20 0 EGADRP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529772 1368916156 /nfs/dbraw/zinc/91/61/56/1368916156.db2.gz OMPDSPWAZQPRMR-ZJOUEHCJSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001197907465 1368922425 /nfs/dbraw/zinc/92/24/25/1368922425.db2.gz FPVXTUNNWJCJMR-UHFFFAOYSA-N 2 0 325.541 3.079 20 0 EGADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001112548777 1368923771 /nfs/dbraw/zinc/92/37/71/1368923771.db2.gz RBBVECSDMCHMNO-FPOVZHCZSA-N 2 0 347.547 3.047 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001198222227 1368983548 /nfs/dbraw/zinc/98/35/48/1368983548.db2.gz VSQWLUIKOPHYKJ-QZTJIDSGSA-N 2 0 337.552 3.220 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001198243044 1368987479 /nfs/dbraw/zinc/98/74/79/1368987479.db2.gz DCBAPABEFOFSFZ-UHFFFAOYSA-N 2 0 349.563 3.367 20 0 EGADRP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198259470 1368991689 /nfs/dbraw/zinc/99/16/89/1368991689.db2.gz MCTOWILEHUEIBI-RURPWVQCSA-N 2 0 335.536 3.142 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112964838 1369112401 /nfs/dbraw/zinc/11/24/01/1369112401.db2.gz ABXZVQPPQVUWLK-QUCCMNQESA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598062 1387981314 /nfs/dbraw/zinc/98/13/14/1387981314.db2.gz NXGFNHGBUYKBHI-SFHVURJKSA-N 2 0 349.563 3.077 20 0 EGADRP C[N@H+](CCC(=O)N1CC[NH+](CCCC2CCC2)CC1)C1CCCCC1 ZINC001113156691 1369233334 /nfs/dbraw/zinc/23/33/34/1369233334.db2.gz SEWSAQUXCQYSND-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP C[N@H+](CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001113156771 1369233402 /nfs/dbraw/zinc/23/34/02/1369233402.db2.gz YASLJCIRIBGVDB-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200506679 1369382702 /nfs/dbraw/zinc/38/27/02/1369382702.db2.gz GIFPEUCGDJOYPK-IBGZPJMESA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200841388 1369437612 /nfs/dbraw/zinc/43/76/12/1369437612.db2.gz RHYJKQXKUYIQBF-KRWDZBQOSA-N 2 0 343.531 3.073 20 0 EGADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1)[NH+](C)C ZINC001201150135 1369486574 /nfs/dbraw/zinc/48/65/74/1369486574.db2.gz XYCMZNFMRZULEQ-IBGZPJMESA-N 2 0 337.552 3.124 20 0 EGADRP CCCCCC[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201240519 1369503118 /nfs/dbraw/zinc/50/31/18/1369503118.db2.gz UYIGOGULAFPEDF-UHFFFAOYSA-N 2 0 335.536 3.023 20 0 EGADRP CCCCC[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001201378262 1369530811 /nfs/dbraw/zinc/53/08/11/1369530811.db2.gz HDKXDNKFEVCUBJ-UHFFFAOYSA-N 2 0 337.552 3.410 20 0 EGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC001201416686 1369540809 /nfs/dbraw/zinc/54/08/09/1369540809.db2.gz QVQSQLRHQIEMCD-QZTJIDSGSA-N 2 0 330.497 3.369 20 0 EGADRP Cc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001201633386 1369593869 /nfs/dbraw/zinc/59/38/69/1369593869.db2.gz IXZKCZFJACSZNF-HXUWFJFHSA-N 2 0 342.458 3.381 20 0 EGADRP CCOc1cc(F)ccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201659254 1369598120 /nfs/dbraw/zinc/59/81/20/1369598120.db2.gz TZJWHSRHKNQIQY-UHFFFAOYSA-N 2 0 330.407 3.115 20 0 EGADRP COc1nc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc2ccccc21 ZINC001201659260 1369598147 /nfs/dbraw/zinc/59/81/47/1369598147.db2.gz UDQGSVPCKBFOFP-UHFFFAOYSA-N 2 0 349.438 3.134 20 0 EGADRP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793428 1369624540 /nfs/dbraw/zinc/62/45/40/1369624540.db2.gz AWYOACYVYOZQAB-SGSXCFNPSA-N 2 0 347.547 3.188 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201794166 1369624996 /nfs/dbraw/zinc/62/49/96/1369624996.db2.gz UHSCASKZDSUHET-FQEVSTJZSA-N 2 0 347.547 3.022 20 0 EGADRP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001202077818 1369682734 /nfs/dbraw/zinc/68/27/34/1369682734.db2.gz LPBFOSVQCLVURM-AABGKKOBSA-N 2 0 344.547 3.494 20 0 EGADRP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001325666491 1388025688 /nfs/dbraw/zinc/02/56/88/1388025688.db2.gz YCKJLOKWUYMFAJ-GUDVDZBRSA-N 2 0 337.552 3.051 20 0 EGADRP C[N@H+](CC(=O)N1CCC([NH2+]CC2CCCCC2)CC1)CC(C)(C)C ZINC001202539549 1369802425 /nfs/dbraw/zinc/80/24/25/1369802425.db2.gz NNWYHBCSAACJSG-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP c1ccc(C[NH+]2CC3(C2)CC[NH+](CCC2CCOCC2)CC3)cc1 ZINC001202664599 1369843147 /nfs/dbraw/zinc/84/31/47/1369843147.db2.gz SXCYMPJIEWQHMM-UHFFFAOYSA-N 2 0 328.500 3.401 20 0 EGADRP CCC1(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)COC1 ZINC001202969527 1369940855 /nfs/dbraw/zinc/94/08/55/1369940855.db2.gz YXGCZHYZIQLTQE-UXHICEINSA-N 2 0 328.500 3.257 20 0 EGADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001203010110 1369952547 /nfs/dbraw/zinc/95/25/47/1369952547.db2.gz GUNHFTNNIPLHCK-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001325743073 1388038687 /nfs/dbraw/zinc/03/86/87/1388038687.db2.gz JFIZOXDFIWQTHE-JXFKEZNVSA-N 2 0 335.451 3.432 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+]CC3CCCCC3)C23CCC3)CCC1 ZINC001203029688 1369960797 /nfs/dbraw/zinc/96/07/97/1369960797.db2.gz UVWMWIXOELUZNS-QZTJIDSGSA-N 2 0 347.547 3.068 20 0 EGADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001203042455 1369964546 /nfs/dbraw/zinc/96/45/46/1369964546.db2.gz XYGBVGAJHKKTOG-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105361 1369985566 /nfs/dbraw/zinc/98/55/66/1369985566.db2.gz XHOZBQMIZTUDLE-SJORKVTESA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001203133486 1369993226 /nfs/dbraw/zinc/99/32/26/1369993226.db2.gz SGXHATGOJDYKLN-ZWKOTPCHSA-N 2 0 340.471 3.011 20 0 EGADRP CC(C)CC[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203297274 1370070288 /nfs/dbraw/zinc/07/02/88/1370070288.db2.gz ZIWRSJCMSLOWGA-OAQYLSRUSA-N 2 0 345.531 3.090 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001203312871 1370077597 /nfs/dbraw/zinc/07/75/97/1370077597.db2.gz JRIHZMVPAAYXGI-QGZVFWFLSA-N 2 0 343.531 3.217 20 0 EGADRP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330088 1370083955 /nfs/dbraw/zinc/08/39/55/1370083955.db2.gz CQCHMDMXABDNBW-IEBWSBKVSA-N 2 0 337.552 3.124 20 0 EGADRP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425628 1370120035 /nfs/dbraw/zinc/12/00/35/1370120035.db2.gz DBHQIZDQBNSHPM-JKCVZHOFSA-N 2 0 349.563 3.338 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC001203431986 1370123387 /nfs/dbraw/zinc/12/33/87/1370123387.db2.gz XQZYOUGTYDAALL-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001203442409 1370128499 /nfs/dbraw/zinc/12/84/99/1370128499.db2.gz KIDCUYWHHGSGDC-GOSISDBHSA-N 2 0 345.531 3.369 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203505314 1370147407 /nfs/dbraw/zinc/14/74/07/1370147407.db2.gz CHFJXCGENYHKEV-RBUKOAKNSA-N 2 0 349.563 3.482 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632547 1370194473 /nfs/dbraw/zinc/19/44/73/1370194473.db2.gz ULSFPQQNSCGXHV-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC001203741252 1370243672 /nfs/dbraw/zinc/24/36/72/1370243672.db2.gz ZMODAXCZPHYGQS-UHFFFAOYSA-N 2 0 349.544 3.095 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203741517 1370244776 /nfs/dbraw/zinc/24/47/76/1370244776.db2.gz HDVRBXCCJWGTGV-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1C ZINC001203755405 1370249685 /nfs/dbraw/zinc/24/96/85/1370249685.db2.gz PAORBZVBWDXDSV-UHFFFAOYSA-N 2 0 325.456 3.338 20 0 EGADRP CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203770169 1370258294 /nfs/dbraw/zinc/25/82/94/1370258294.db2.gz DUSLJYIGUZIHJE-RBUKOAKNSA-N 2 0 343.515 3.179 20 0 EGADRP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772184 1370258961 /nfs/dbraw/zinc/25/89/61/1370258961.db2.gz QGJLZBUPZMBRIT-OALUTQOASA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203889130 1370299901 /nfs/dbraw/zinc/29/99/01/1370299901.db2.gz XJPMVLCTOGTRKB-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203903831 1370308286 /nfs/dbraw/zinc/30/82/86/1370308286.db2.gz OTDLBMAGBQEMFX-HXUWFJFHSA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001187202002 1388070318 /nfs/dbraw/zinc/07/03/18/1388070318.db2.gz QKKCIOSSRQJCFI-LJQANCHMSA-N 2 0 345.531 3.034 20 0 EGADRP C[NH+](C)CCCOc1ccc(C[NH+]2CC(c3cccnc3)C2)cc1 ZINC001204270004 1370427727 /nfs/dbraw/zinc/42/77/27/1370427727.db2.gz MUIJHAWFWLPXAT-UHFFFAOYSA-N 2 0 325.456 3.012 20 0 EGADRP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001204287882 1370432364 /nfs/dbraw/zinc/43/23/64/1370432364.db2.gz ADYRCHXVRQSXMP-KDURUIRLSA-N 2 0 346.478 3.435 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CCCCC1 ZINC001115450863 1370459302 /nfs/dbraw/zinc/45/93/02/1370459302.db2.gz ROKROVGKBBCCKO-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115535359 1370531979 /nfs/dbraw/zinc/53/19/79/1370531979.db2.gz SOHQQPBHLSCXFZ-MRDWYFFCSA-N 2 0 341.927 3.020 20 0 EGADRP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001115547183 1370544328 /nfs/dbraw/zinc/54/43/28/1370544328.db2.gz PXJWSBLARIODLU-ZWKOTPCHSA-N 2 0 337.552 3.316 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001115571718 1370573840 /nfs/dbraw/zinc/57/38/40/1370573840.db2.gz LYKBWYHLWIRVSY-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP C[NH+](C)[C@@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1)C1CC1 ZINC001115573395 1370575715 /nfs/dbraw/zinc/57/57/15/1370575715.db2.gz PZXMWZVKHNUXDD-QGZVFWFLSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)=CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579272 1370582983 /nfs/dbraw/zinc/58/29/83/1370582983.db2.gz FXAGQTVOWYJOJL-SFHVURJKSA-N 2 0 335.536 3.236 20 0 EGADRP Clc1ccc2c(c1)C[N@@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001204854546 1370591364 /nfs/dbraw/zinc/59/13/64/1370591364.db2.gz OXFICPYZLBQQNR-UHFFFAOYSA-N 2 0 341.886 3.308 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115596648 1370597267 /nfs/dbraw/zinc/59/72/67/1370597267.db2.gz PQICQPIOFXXYPJ-LJQANCHMSA-N 2 0 349.563 3.460 20 0 EGADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115596746 1370597329 /nfs/dbraw/zinc/59/73/29/1370597329.db2.gz URECHFIPZRLVRU-GOSISDBHSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630683 1370623724 /nfs/dbraw/zinc/62/37/24/1370623724.db2.gz VCQICXNPNAEEFX-UHFFFAOYSA-N 2 0 328.460 3.013 20 0 EGADRP [NH3+]CC1CC[NH+](Cc2ccc(OC(F)F)c(OC(F)F)c2)CC1 ZINC001205047143 1370638076 /nfs/dbraw/zinc/63/80/76/1370638076.db2.gz PHMRXNVWESEDGK-UHFFFAOYSA-N 2 0 336.329 3.060 20 0 EGADRP C[NH+](C)Cc1ccoc1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115696293 1370677249 /nfs/dbraw/zinc/67/72/49/1370677249.db2.gz OGMYWZPYOVXECN-UHFFFAOYSA-N 2 0 347.503 3.164 20 0 EGADRP CC/C=C\CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696354 1370678139 /nfs/dbraw/zinc/67/81/39/1370678139.db2.gz RKZZGODDBKQBTL-WAYWQWQTSA-N 2 0 335.536 3.093 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697587 1370678913 /nfs/dbraw/zinc/67/89/13/1370678913.db2.gz HUNIBMMHKQIVHQ-SREVYHEPSA-N 2 0 337.552 3.483 20 0 EGADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209143 1370681170 /nfs/dbraw/zinc/68/11/70/1370681170.db2.gz HUHYTHMINUJWEK-UWJYYQICSA-N 2 0 332.532 3.338 20 0 EGADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001205230267 1370688577 /nfs/dbraw/zinc/68/85/77/1370688577.db2.gz RUTRMIRHNCZOCI-AWEZNQCLSA-N 2 0 336.785 3.035 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001205228410 1370687941 /nfs/dbraw/zinc/68/79/41/1370687941.db2.gz FQRHLBFPMZVVOF-CQSZACIVSA-N 2 0 336.785 3.035 20 0 EGADRP CC[NH+](CC)Cc1cncc(-c2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001205249611 1370695503 /nfs/dbraw/zinc/69/55/03/1370695503.db2.gz VSLUMZFDFRIRFJ-UHFFFAOYSA-N 2 0 342.487 3.316 20 0 EGADRP C[C@@H]1CC[N@H+](CCCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC001205295645 1370709816 /nfs/dbraw/zinc/70/98/16/1370709816.db2.gz AXGHOHVVFHDRFS-UKRRQHHQSA-N 2 0 325.294 3.298 20 0 EGADRP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c2c1 ZINC001205318293 1370720219 /nfs/dbraw/zinc/72/02/19/1370720219.db2.gz TYRNULWBRADDEG-GOEBONIOSA-N 2 0 328.456 3.274 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115760563 1370744130 /nfs/dbraw/zinc/74/41/30/1370744130.db2.gz NERYREMWWQWYEL-SFHVURJKSA-N 2 0 337.552 3.314 20 0 EGADRP CC/C=C/CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760611 1370744410 /nfs/dbraw/zinc/74/44/10/1370744410.db2.gz PFJVABPLTWZRRM-SNAWJCMRSA-N 2 0 349.563 3.483 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001205420448 1370749466 /nfs/dbraw/zinc/74/94/66/1370749466.db2.gz UVYZMDMJFKQQMI-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2OC)CC1 ZINC001205480710 1370768351 /nfs/dbraw/zinc/76/83/51/1370768351.db2.gz JQHILSXMDVTEQM-UHFFFAOYSA-N 2 0 341.293 3.279 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001115806240 1370789982 /nfs/dbraw/zinc/78/99/82/1370789982.db2.gz SRWQFASUHOLPSC-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP Cc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205559875 1370790986 /nfs/dbraw/zinc/79/09/86/1370790986.db2.gz WIHFQKNUVYNHAK-OAHLLOKOSA-N 2 0 329.257 3.410 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001205579632 1370798699 /nfs/dbraw/zinc/79/86/99/1370798699.db2.gz PLPYNYQIUUZWSY-FQEVSTJZSA-N 2 0 343.446 3.314 20 0 EGADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001205592801 1370803747 /nfs/dbraw/zinc/80/37/47/1370803747.db2.gz YPJMDFMWQYXOAX-KRWDZBQOSA-N 2 0 335.448 3.169 20 0 EGADRP C[C@@H]1CC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205599819 1370807008 /nfs/dbraw/zinc/80/70/08/1370807008.db2.gz AFKBKBNWVCVIJZ-NRSPTQNISA-N 2 0 329.532 3.348 20 0 EGADRP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205617759 1370812388 /nfs/dbraw/zinc/81/23/88/1370812388.db2.gz NEKLTTRBMSPJLH-GJZGRUSLSA-N 2 0 343.471 3.151 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2Br)CC[C@@H]1C[NH3+] ZINC001205618297 1370812407 /nfs/dbraw/zinc/81/24/07/1370812407.db2.gz UGSPGSUHQUNPCW-VXGBXAGGSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@H]1CC[N@H+](Cc2cccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205617851 1370813389 /nfs/dbraw/zinc/81/33/89/1370813389.db2.gz OORVKVQBBPCZDD-NWDGAFQWSA-N 2 0 329.257 3.395 20 0 EGADRP C[C@@H]1CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)CC[C@H]1C[NH3+] ZINC001205618021 1370813177 /nfs/dbraw/zinc/81/31/77/1370813177.db2.gz QPYUJABIFBZHES-WBVHZDCISA-N 2 0 326.444 3.076 20 0 EGADRP CC(C)C[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001205925151 1370913557 /nfs/dbraw/zinc/91/35/57/1370913557.db2.gz VXOWQDZDLRPRFD-UHFFFAOYSA-N 2 0 338.499 3.149 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)CC1 ZINC001205933192 1370915854 /nfs/dbraw/zinc/91/58/54/1370915854.db2.gz PTWGGULHDPHVPL-UHFFFAOYSA-N 2 0 334.479 3.239 20 0 EGADRP Cc1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001116530186 1370930266 /nfs/dbraw/zinc/93/02/66/1370930266.db2.gz DFXFGWFXJJRMMU-YJBOKZPZSA-N 2 0 348.450 3.036 20 0 EGADRP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1OC ZINC001206002808 1370934177 /nfs/dbraw/zinc/93/41/77/1370934177.db2.gz BISHFQINPULXBN-STQMWFEESA-N 2 0 326.868 3.164 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206026553 1370942043 /nfs/dbraw/zinc/94/20/43/1370942043.db2.gz SVAJFAIIGYQDKS-AAEUAGOBSA-N 2 0 332.366 3.098 20 0 EGADRP COc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Br ZINC001206025544 1370942453 /nfs/dbraw/zinc/94/24/53/1370942453.db2.gz OBXBDALFOSLRFF-OLZOCXBDSA-N 2 0 341.293 3.265 20 0 EGADRP COc1cccc(Br)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206028252 1370943071 /nfs/dbraw/zinc/94/30/71/1370943071.db2.gz XXTJWFSHKLDCPS-QWHCGFSZSA-N 2 0 341.293 3.265 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccnc(OCc3ccccc3)c2)CCC[C@@H]1C[NH3+] ZINC001206036735 1370944632 /nfs/dbraw/zinc/94/46/32/1370944632.db2.gz PCWZGWSKAUKSFZ-YLJYHZDGSA-N 2 0 339.483 3.467 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206074668 1370954540 /nfs/dbraw/zinc/95/45/40/1370954540.db2.gz SCQLKDQJMBPZQD-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP Cc1nc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093038 1370958554 /nfs/dbraw/zinc/95/85/54/1370958554.db2.gz KECUWWINHCVSEU-RBUKOAKNSA-N 2 0 325.456 3.327 20 0 EGADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1sc(C)nc1C ZINC001206179359 1370982145 /nfs/dbraw/zinc/98/21/45/1370982145.db2.gz PJSFDHKWDKDIGK-UHFFFAOYSA-N 2 0 340.581 3.246 20 0 EGADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206317223 1371020291 /nfs/dbraw/zinc/02/02/91/1371020291.db2.gz DCLBIMCRCNALLT-SFHVURJKSA-N 2 0 338.879 3.468 20 0 EGADRP [NH3+]C[C@@]1(F)CCCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001206335881 1371027264 /nfs/dbraw/zinc/02/72/64/1371027264.db2.gz HUTNLCQZJZKKGF-PMACEKPBSA-N 2 0 333.495 3.194 20 0 EGADRP COc1cnccc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001206479979 1371068031 /nfs/dbraw/zinc/06/80/31/1371068031.db2.gz CYWSEWRWBJENFQ-UHFFFAOYSA-N 2 0 337.467 3.188 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547545 1371090103 /nfs/dbraw/zinc/09/01/03/1371090103.db2.gz HVTQNJOMSVNVPS-WGLWSTOQSA-N 2 0 347.547 3.188 20 0 EGADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206550174 1371090946 /nfs/dbraw/zinc/09/09/46/1371090946.db2.gz XAGMRWSZKHGSIF-HXUWFJFHSA-N 2 0 326.488 3.440 20 0 EGADRP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001206572637 1371096418 /nfs/dbraw/zinc/09/64/18/1371096418.db2.gz FOEVQKOCHISXTO-SFHVURJKSA-N 2 0 332.879 3.477 20 0 EGADRP CCOC(=O)c1c(C)[nH]c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1C ZINC001206580083 1371099020 /nfs/dbraw/zinc/09/90/20/1371099020.db2.gz CCCONZWKJQYCIY-INIZCTEOSA-N 2 0 335.492 3.161 20 0 EGADRP COc1ncccc1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001206589141 1371101012 /nfs/dbraw/zinc/10/10/12/1371101012.db2.gz GYFAYVVIHPDDMI-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP COC(=O)c1[nH]c2ccccc2c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206592130 1371102568 /nfs/dbraw/zinc/10/25/68/1371102568.db2.gz XMLSNZNDRXLMBM-HNNXBMFYSA-N 2 0 343.471 3.307 20 0 EGADRP COc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1OC(F)(F)F ZINC001206633031 1371114790 /nfs/dbraw/zinc/11/47/90/1371114790.db2.gz RLSOLTPSPVNRAH-ZDUSSCGKSA-N 2 0 332.366 3.155 20 0 EGADRP [NH3+]C[C@H]1CCCCN(Cc2cc3c(cccc3Br)[nH]2)C1 ZINC001206638946 1371115234 /nfs/dbraw/zinc/11/52/34/1371115234.db2.gz AAIOKGBRAFMCSY-GFCCVEGCSA-N 2 0 336.277 3.491 20 0 EGADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001206633710 1371115504 /nfs/dbraw/zinc/11/55/04/1371115504.db2.gz ZPNQTNMGRLFGNN-SFHVURJKSA-N 2 0 325.456 3.221 20 0 EGADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001206749612 1371153214 /nfs/dbraw/zinc/15/32/14/1371153214.db2.gz IZBVUBMENFMFEV-UHFFFAOYSA-N 2 0 330.422 3.500 20 0 EGADRP COc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc(F)c1F ZINC001206756110 1371154704 /nfs/dbraw/zinc/15/47/04/1371154704.db2.gz XDDYYOVQOYWFSV-UHFFFAOYSA-N 2 0 346.421 3.466 20 0 EGADRP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCc1cccc(Br)c1 ZINC001206761333 1371156535 /nfs/dbraw/zinc/15/65/35/1371156535.db2.gz WYRZYCDRJVHVDI-HIFRSBDPSA-N 2 0 325.294 3.441 20 0 EGADRP CCC(CC)C[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206876153 1371201689 /nfs/dbraw/zinc/20/16/89/1371201689.db2.gz PVJCMZKPFJNQLO-UHFFFAOYSA-N 2 0 346.519 3.026 20 0 EGADRP CCCCCC[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206877887 1371202396 /nfs/dbraw/zinc/20/23/96/1371202396.db2.gz JMKJUNZYDSCFAJ-UHFFFAOYSA-N 2 0 346.519 3.170 20 0 EGADRP C[NH+](C)CCCCC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206882939 1371205044 /nfs/dbraw/zinc/20/50/44/1371205044.db2.gz KHTIYYMSEAUCMB-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206890213 1371209674 /nfs/dbraw/zinc/20/96/74/1371209674.db2.gz GMKHCWOWDVNVBE-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206890566 1371209697 /nfs/dbraw/zinc/20/96/97/1371209697.db2.gz XWKJJKXYHBUMHB-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206947757 1371241110 /nfs/dbraw/zinc/24/11/10/1371241110.db2.gz INLMHTAEFAEGBL-PJHKVULZSA-N 2 0 335.536 3.044 20 0 EGADRP CC(C)CCC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950280 1371241649 /nfs/dbraw/zinc/24/16/49/1371241649.db2.gz JRDXQYRFGZSLAN-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001206954654 1371244877 /nfs/dbraw/zinc/24/48/77/1371244877.db2.gz QULPBBOTGKGIQD-MRXNPFEDSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)=CC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206968414 1371251447 /nfs/dbraw/zinc/25/14/47/1371251447.db2.gz FKBZJDGAICBTEU-UHFFFAOYSA-N 2 0 335.536 3.047 20 0 EGADRP C[NH+](C)CCCN1CC[NH+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207189416 1371324382 /nfs/dbraw/zinc/32/43/82/1371324382.db2.gz BNOGYWCQTVNGSW-HKUYNNGSSA-N 2 0 335.923 3.013 20 0 EGADRP C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001207276541 1371347495 /nfs/dbraw/zinc/34/74/95/1371347495.db2.gz ZBOKWEVVWUJQOC-CVEARBPZSA-N 2 0 341.540 3.057 20 0 EGADRP O[C@@]1(CF)CCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286078 1371350082 /nfs/dbraw/zinc/35/00/82/1371350082.db2.gz DQDOGKVASRUXCJ-FQEVSTJZSA-N 2 0 334.479 3.085 20 0 EGADRP COC(=O)c1ccc(C2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)cc1 ZINC001207285695 1371350731 /nfs/dbraw/zinc/35/07/31/1371350731.db2.gz MUEOGNISFMDANJ-UHFFFAOYSA-N 2 0 332.488 3.240 20 0 EGADRP C[NH+](C)CC(C)(C)CN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001207287810 1371351723 /nfs/dbraw/zinc/35/17/23/1371351723.db2.gz GDEYSLPRKDKOQL-DOIPELPJSA-N 3 0 345.575 3.469 20 0 EGADRP COC(=O)C1(C)CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291311 1371352717 /nfs/dbraw/zinc/35/27/17/1371352717.db2.gz NHNOICVJVUGCSH-UHFFFAOYSA-N 2 0 344.499 3.174 20 0 EGADRP COC(=O)[C@H]1CC[C@@H](C)[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292502 1371352770 /nfs/dbraw/zinc/35/27/70/1371352770.db2.gz RCSRNPMNBVAONX-XLIONFOSSA-N 2 0 344.499 3.172 20 0 EGADRP CN(C1CC1)[C@H]1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293395 1371354115 /nfs/dbraw/zinc/35/41/15/1371354115.db2.gz IQYKHLXPOCHYFY-NRFANRHFSA-N 2 0 327.516 3.067 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001207396526 1371384058 /nfs/dbraw/zinc/38/40/58/1371384058.db2.gz KIUVHTRHKGUCJV-SFTDATJTSA-N 2 0 328.500 3.367 20 0 EGADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001207399126 1371384152 /nfs/dbraw/zinc/38/41/52/1371384152.db2.gz BQQPGLGLVLFGRQ-JOCHJYFZSA-N 3 0 341.543 3.316 20 0 EGADRP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001207470375 1371404736 /nfs/dbraw/zinc/40/47/36/1371404736.db2.gz UPWRATJMKHVZJV-QHAWAJNXSA-N 2 0 328.500 3.257 20 0 EGADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCC4CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001207482522 1371409317 /nfs/dbraw/zinc/40/93/17/1371409317.db2.gz MWQWXPMLJSQYDR-VXKWHMMOSA-N 2 0 341.543 3.091 20 0 EGADRP C[NH+]1CCC(CC[NH+]2CCC(Oc3cccc(Cl)n3)CC2)CC1 ZINC001207486746 1371410935 /nfs/dbraw/zinc/41/09/35/1371410935.db2.gz CDTOSKCEBPBADG-UHFFFAOYSA-N 2 0 337.895 3.310 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616817 1371453090 /nfs/dbraw/zinc/45/30/90/1371453090.db2.gz FXUXDQPMMUMDAZ-YSNLUETFSA-N 2 0 335.536 3.044 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)C1 ZINC001120010423 1371454183 /nfs/dbraw/zinc/45/41/83/1371454183.db2.gz RBJITNWDRPBAGZ-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120129440 1371491662 /nfs/dbraw/zinc/49/16/62/1371491662.db2.gz HSEGPZZXGDKUPO-XFHJGTJQSA-N 2 0 335.536 3.093 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001120207748 1371504632 /nfs/dbraw/zinc/50/46/32/1371504632.db2.gz DGLWMUZZZPYWSM-LJEUOOAZSA-N 2 0 341.927 3.022 20 0 EGADRP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208079 1371505157 /nfs/dbraw/zinc/50/51/57/1371505157.db2.gz UJXOPDKJAHYSBO-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CC4(C)CCOCC4)C[C@@H]3C2)cc1 ZINC001207967401 1371554721 /nfs/dbraw/zinc/55/47/21/1371554721.db2.gz OMETZGJMENCCDD-PMACEKPBSA-N 2 0 328.500 3.175 20 0 EGADRP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001120414098 1371565492 /nfs/dbraw/zinc/56/54/92/1371565492.db2.gz SGZAQTBHCZZNFY-RBUKOAKNSA-N 2 0 349.563 3.221 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208013895 1371568682 /nfs/dbraw/zinc/56/86/82/1371568682.db2.gz KWLBSNOMJFGVCL-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423887 1371571453 /nfs/dbraw/zinc/57/14/53/1371571453.db2.gz XRGHCVZNJUGWCR-RTBURBONSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001120430966 1371574431 /nfs/dbraw/zinc/57/44/31/1371574431.db2.gz PCNGZMCWVWSGJX-RBUKOAKNSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CCC(C)C)C1 ZINC001120439856 1371576827 /nfs/dbraw/zinc/57/68/27/1371576827.db2.gz JFOIDYMXWWPQBK-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120440084 1371578046 /nfs/dbraw/zinc/57/80/46/1371578046.db2.gz KYIQBCXJNPCOTA-PMACEKPBSA-N 2 0 349.563 3.221 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073414 1371588186 /nfs/dbraw/zinc/58/81/86/1371588186.db2.gz BGQFRDXQRWYTBU-MVSSULDISA-N 2 0 347.547 3.044 20 0 EGADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCCn3cccn3)C[C@@H]21 ZINC001208075680 1371589184 /nfs/dbraw/zinc/58/91/84/1371589184.db2.gz QPYGYNVUFUKMMQ-ACRUOGEOSA-N 2 0 338.499 3.384 20 0 EGADRP c1cnn(CCC[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208084568 1371591399 /nfs/dbraw/zinc/59/13/99/1371591399.db2.gz UXRWMVHGLAMMGX-NRFANRHFSA-N 2 0 338.499 3.261 20 0 EGADRP C[N@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208109911 1371597959 /nfs/dbraw/zinc/59/79/59/1371597959.db2.gz OVWHELCBROYVJP-MRXNPFEDSA-N 2 0 339.524 3.050 20 0 EGADRP C[NH+]1CCC(C)(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC001208112666 1371598790 /nfs/dbraw/zinc/59/87/90/1371598790.db2.gz WVADLHXIQKUTKC-UHFFFAOYSA-N 2 0 344.503 3.004 20 0 EGADRP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001208116133 1371600258 /nfs/dbraw/zinc/60/02/58/1371600258.db2.gz OPOLVCDCLBZJCK-RTBURBONSA-N 2 0 329.532 3.313 20 0 EGADRP C[NH+](C)CC1(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)CCCC1 ZINC001208191673 1371631552 /nfs/dbraw/zinc/63/15/52/1371631552.db2.gz NKCYJHHPGPEXBW-UHFFFAOYSA-N 2 0 334.479 3.231 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208331407 1371720236 /nfs/dbraw/zinc/72/02/36/1371720236.db2.gz RPRJCDVSVDFGMW-WOJBJXKFSA-N 2 0 349.563 3.410 20 0 EGADRP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331192 1371720300 /nfs/dbraw/zinc/72/03/00/1371720300.db2.gz NIFXRQOLEOCABB-KJYWSYJISA-N 2 0 349.563 3.291 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331727 1371721440 /nfs/dbraw/zinc/72/14/40/1371721440.db2.gz WLNKNZKROQSYKO-RTBURBONSA-N 2 0 337.552 3.410 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460136 1371775573 /nfs/dbraw/zinc/77/55/73/1371775573.db2.gz OWJLIVUYFSIDCP-QGZVFWFLSA-N 2 0 335.536 3.186 20 0 EGADRP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208492061 1371787047 /nfs/dbraw/zinc/78/70/47/1371787047.db2.gz RMGHXYQVRINUSI-KRWDZBQOSA-N 2 0 335.536 3.022 20 0 EGADRP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498462 1371788727 /nfs/dbraw/zinc/78/87/27/1371788727.db2.gz QRTPHXHXKBTXOP-FUHWJXTLSA-N 2 0 342.487 3.211 20 0 EGADRP CC(C)(C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588676 1371830354 /nfs/dbraw/zinc/83/03/54/1371830354.db2.gz KIGIHSGRUNOGCB-FQEVSTJZSA-N 2 0 329.532 3.457 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001208596393 1371834907 /nfs/dbraw/zinc/83/49/07/1371834907.db2.gz MYHVJVGNVOCDAU-CVEARBPZSA-N 2 0 339.524 3.048 20 0 EGADRP CC[NH+]1CCC(C[NH+]2CCCN(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001208602808 1371836598 /nfs/dbraw/zinc/83/65/98/1371836598.db2.gz NYZMPCLRKIVWLA-UHFFFAOYSA-N 2 0 339.524 3.051 20 0 EGADRP Cc1cc(N2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC001208606452 1371838707 /nfs/dbraw/zinc/83/87/07/1371838707.db2.gz GFZAXSIKBOLXDW-GOSISDBHSA-N 2 0 338.499 3.007 20 0 EGADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(c3noc4ccc(F)cc43)CC2)C1 ZINC001208613222 1371840244 /nfs/dbraw/zinc/84/02/44/1371840244.db2.gz RWDMQXXYOVEDPU-AWEZNQCLSA-N 2 0 331.435 3.488 20 0 EGADRP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208615646 1371841342 /nfs/dbraw/zinc/84/13/42/1371841342.db2.gz IMCMIYQCNVHINT-DFQSSKMNSA-N 2 0 344.499 3.140 20 0 EGADRP C[N@@H+]1CCC[C@H](CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC001208618092 1371843493 /nfs/dbraw/zinc/84/34/93/1371843493.db2.gz RQVOGDQXGXKEEP-RXVVDRJESA-N 2 0 327.516 3.023 20 0 EGADRP CCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001121111100 1371856720 /nfs/dbraw/zinc/85/67/20/1371856720.db2.gz DCNHTUFFKTXCHV-UHFFFAOYSA-N 2 0 335.536 3.068 20 0 EGADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208748266 1371882575 /nfs/dbraw/zinc/88/25/75/1371882575.db2.gz HGHBYBXELORQBE-UXHICEINSA-N 2 0 347.547 3.022 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208749731 1371883419 /nfs/dbraw/zinc/88/34/19/1371883419.db2.gz VSPOUPZDKHDBAP-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)C1(CC(=O)N2CCC[C@@H]([NH2+]CC3CCCC3)C2)CCCC1 ZINC001208771217 1371891365 /nfs/dbraw/zinc/89/13/65/1371891365.db2.gz XHLXBYFFFRMQBE-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP C[NH+](C)C1(C(=O)NC2CC3(C2)CC([NH2+]CC2CCCCC2)C3)CCC1 ZINC001121238152 1371904210 /nfs/dbraw/zinc/90/42/10/1371904210.db2.gz JMGQVYLRKXBQLW-UHFFFAOYSA-N 2 0 347.547 3.068 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121261658 1371912320 /nfs/dbraw/zinc/91/23/20/1371912320.db2.gz ZLUMJENDIYCWGA-IKQKDXEZSA-N 2 0 349.563 3.314 20 0 EGADRP COc1ccccc1CCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001208842581 1371913817 /nfs/dbraw/zinc/91/38/17/1371913817.db2.gz VNVPGEOWTBBZQF-UHFFFAOYSA-N 2 0 325.456 3.153 20 0 EGADRP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001121288319 1371922926 /nfs/dbraw/zinc/92/29/26/1371922926.db2.gz CFNXMXVIACHLHU-JGQKGBITSA-N 2 0 347.547 3.211 20 0 EGADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936668 1371954465 /nfs/dbraw/zinc/95/44/65/1371954465.db2.gz OTTQXYCEZFHIHB-OAQYLSRUSA-N 3 0 329.532 3.172 20 0 EGADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2O1 ZINC001208961563 1371962830 /nfs/dbraw/zinc/96/28/30/1371962830.db2.gz GPDVPNWELFKIGZ-FPOVZHCZSA-N 2 0 336.479 3.444 20 0 EGADRP COCOCCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001209028224 1371976639 /nfs/dbraw/zinc/97/66/39/1371976639.db2.gz POKCROUXMJWODH-UHFFFAOYSA-N 2 0 346.515 3.375 20 0 EGADRP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628263 1372030349 /nfs/dbraw/zinc/03/03/49/1372030349.db2.gz ILIVLVPCRMHGRR-KKJGHQMISA-N 2 0 347.547 3.090 20 0 EGADRP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204504 1372037468 /nfs/dbraw/zinc/03/74/68/1372037468.db2.gz IYNWJDXAGHAIHU-OALUTQOASA-N 2 0 337.552 3.269 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209205056 1372037673 /nfs/dbraw/zinc/03/76/73/1372037673.db2.gz MLWMUDSLAPCGHN-RLWBPELLSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121767391 1372074958 /nfs/dbraw/zinc/07/49/58/1372074958.db2.gz DNWDSVAREQYVPN-GICSWVMSSA-N 2 0 347.547 3.068 20 0 EGADRP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209417697 1372100785 /nfs/dbraw/zinc/10/07/85/1372100785.db2.gz XDHJOOORQGRECS-YZGWKJHDSA-N 2 0 328.500 3.398 20 0 EGADRP CC1(C)[N@H+](CCC[NH+]2CCCCC2)CC[C@@]12c1ccccc1OC2=O ZINC001209453115 1372110585 /nfs/dbraw/zinc/11/05/85/1372110585.db2.gz YRBPPQKPSZGYRX-NRFANRHFSA-N 2 0 342.483 3.204 20 0 EGADRP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001121895278 1372116627 /nfs/dbraw/zinc/11/66/27/1372116627.db2.gz DLAOSVXHWJHJEF-FAFJLIIVSA-N 2 0 347.547 3.066 20 0 EGADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1ccccc1)C2 ZINC001121935298 1372126962 /nfs/dbraw/zinc/12/69/62/1372126962.db2.gz LQIWLBXSLYJMDJ-WOLZCAMPSA-N 2 0 343.515 3.106 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001209588215 1372144836 /nfs/dbraw/zinc/14/48/36/1372144836.db2.gz FIJVDJPTBFFJLV-PMACEKPBSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001209588810 1372144914 /nfs/dbraw/zinc/14/49/14/1372144914.db2.gz JQOMQKRYIYNUQQ-PMACEKPBSA-N 2 0 345.531 3.196 20 0 EGADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC001121997736 1372149218 /nfs/dbraw/zinc/14/92/18/1372149218.db2.gz ZLNMTRDIQPQKFH-RHSMWYFYSA-N 2 0 349.544 3.246 20 0 EGADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001209632928 1372156919 /nfs/dbraw/zinc/15/69/19/1372156919.db2.gz PETJWGUVXUFHNS-MJGOQNOKSA-N 2 0 335.536 3.022 20 0 EGADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)C1 ZINC001122056818 1372164407 /nfs/dbraw/zinc/16/44/07/1372164407.db2.gz SDWRCWRKFMGYLJ-GUYFDXGHSA-N 2 0 349.563 3.172 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001122101766 1372175016 /nfs/dbraw/zinc/17/50/16/1372175016.db2.gz ZFYIQWWCQSKMKU-UHFFFAOYSA-N 2 0 337.552 3.172 20 0 EGADRP [NH3+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC001122194144 1372198370 /nfs/dbraw/zinc/19/83/70/1372198370.db2.gz NWLVMAHRHIUFJN-WIYYLYMNSA-N 2 0 349.478 3.130 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001122242634 1372210303 /nfs/dbraw/zinc/21/03/03/1372210303.db2.gz MOHUWGDGIQMIHY-FCOWATRHSA-N 2 0 349.563 3.314 20 0 EGADRP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190186 1372291439 /nfs/dbraw/zinc/29/14/39/1372291439.db2.gz RVTCRDCXSXMLLJ-RBUKOAKNSA-N 2 0 339.568 3.370 20 0 EGADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)C(C)C ZINC001210189306 1372291597 /nfs/dbraw/zinc/29/15/97/1372291597.db2.gz AQHKKJOOXBFKQM-VQTJNVASSA-N 2 0 345.531 3.134 20 0 EGADRP Cc1ccc(OC(C)C)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266828 1372310618 /nfs/dbraw/zinc/31/06/18/1372310618.db2.gz QYTXAZPRHMHKCH-UHFFFAOYSA-N 2 0 326.444 3.330 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210416160 1372346776 /nfs/dbraw/zinc/34/67/76/1372346776.db2.gz JGTDGSGGDXPOKY-RLLQIKCJSA-N 2 0 345.531 3.306 20 0 EGADRP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428571 1372351273 /nfs/dbraw/zinc/35/12/73/1372351273.db2.gz SYFINKIMKSKDRW-LJQANCHMSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001210634891 1372396917 /nfs/dbraw/zinc/39/69/17/1372396917.db2.gz UEICDMKBDIYDTJ-JEJOPICUSA-N 2 0 343.943 3.222 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210744028 1372417555 /nfs/dbraw/zinc/41/75/55/1372417555.db2.gz NHFUCJZXQOSDAI-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750722 1372419324 /nfs/dbraw/zinc/41/93/24/1372419324.db2.gz JBZSRIICPMQEQL-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001210782340 1372425881 /nfs/dbraw/zinc/42/58/81/1372425881.db2.gz LRLKPQPGVHYTED-LJQANCHMSA-N 2 0 337.552 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001210811132 1372430366 /nfs/dbraw/zinc/43/03/66/1372430366.db2.gz JRNSBOXBGGWQBV-OALUTQOASA-N 2 0 349.494 3.199 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001211241380 1372510006 /nfs/dbraw/zinc/51/00/06/1372510006.db2.gz TXMHFDFILZGQFH-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001211241415 1372510060 /nfs/dbraw/zinc/51/00/60/1372510060.db2.gz URBDEJFRZFOLPN-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211247839 1372511643 /nfs/dbraw/zinc/51/16/43/1372511643.db2.gz ANBIMQGCIOZOQR-GOSISDBHSA-N 2 0 331.504 3.133 20 0 EGADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001211262752 1372515224 /nfs/dbraw/zinc/51/52/24/1372515224.db2.gz YRZKQWCTJVPQLB-QZTJIDSGSA-N 2 0 337.552 3.124 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001211283768 1372520349 /nfs/dbraw/zinc/52/03/49/1372520349.db2.gz IYKLVKNHJVFDMG-MOPGFXCFSA-N 2 0 345.531 3.285 20 0 EGADRP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444314 1372560171 /nfs/dbraw/zinc/56/01/71/1372560171.db2.gz UPXUENQCOGRGEQ-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CCCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211709351 1372606287 /nfs/dbraw/zinc/60/62/87/1372606287.db2.gz KRWUNFSXSFSHQL-VQTJNVASSA-N 2 0 345.531 3.103 20 0 EGADRP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001326520148 1388227291 /nfs/dbraw/zinc/22/72/91/1388227291.db2.gz WRZNGLMQXZCEQH-SJORKVTESA-N 2 0 348.560 3.263 20 0 EGADRP CCOc1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1C ZINC001214323001 1373044049 /nfs/dbraw/zinc/04/40/49/1373044049.db2.gz HSMORQSYOVKNGG-UHFFFAOYSA-N 2 0 326.444 3.284 20 0 EGADRP CC[C@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001127317135 1373114520 /nfs/dbraw/zinc/11/45/20/1373114520.db2.gz KVWFAFGUXGEUOJ-SFHVURJKSA-N 2 0 331.504 3.108 20 0 EGADRP O=C(NCC[NH2+]CCC1CCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356561 1373118755 /nfs/dbraw/zinc/11/87/55/1373118755.db2.gz HNIHBOIXVWWBFK-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001214853301 1373130013 /nfs/dbraw/zinc/13/00/13/1373130013.db2.gz XZHZKBSGOBTTFB-YZGWKJHDSA-N 2 0 349.563 3.266 20 0 EGADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@H]1C ZINC001214917322 1373141432 /nfs/dbraw/zinc/14/14/32/1373141432.db2.gz VRFAKTFSZRGZDS-QRVBRYPASA-N 2 0 348.535 3.487 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001216349396 1373304613 /nfs/dbraw/zinc/30/46/13/1373304613.db2.gz XJMRMNOAZSACPY-GUDVDZBRSA-N 2 0 339.568 3.371 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001216844601 1373349984 /nfs/dbraw/zinc/34/99/84/1373349984.db2.gz GTYDKEZKIXPASY-KURKYZTESA-N 2 0 337.552 3.124 20 0 EGADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](OCC[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC001217931243 1373513767 /nfs/dbraw/zinc/51/37/67/1373513767.db2.gz STKKEPOUABILRN-WJMWBRGCSA-N 2 0 328.500 3.303 20 0 EGADRP C[NH+](C)CC[C@H](Oc1ccccc1N1CC[NH2+]CC1)c1cccs1 ZINC001218211570 1373578860 /nfs/dbraw/zinc/57/88/60/1373578860.db2.gz GISNAYOMQKFPMG-SFHVURJKSA-N 2 0 345.512 3.230 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001130708786 1373583365 /nfs/dbraw/zinc/58/33/65/1373583365.db2.gz HVOKAXNFPIQPEF-QUCCMNQESA-N 2 0 345.531 3.191 20 0 EGADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001130874731 1373600836 /nfs/dbraw/zinc/60/08/36/1373600836.db2.gz LKWHIECREPMHMI-MRXNPFEDSA-N 2 0 336.439 3.032 20 0 EGADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC001218829817 1373658751 /nfs/dbraw/zinc/65/87/51/1373658751.db2.gz FYSJAGNJXJNUIK-JTQLQIEISA-N 2 0 337.773 3.144 20 0 EGADRP Cc1ccccc1-c1cccc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218955600 1373670487 /nfs/dbraw/zinc/67/04/87/1373670487.db2.gz IOLZITJSBUPFJA-HXUWFJFHSA-N 2 0 349.478 3.475 20 0 EGADRP [NH3+]C1(c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H](c4ccccc4)C3)cc2)CCC1 ZINC001218973020 1373672717 /nfs/dbraw/zinc/67/27/17/1373672717.db2.gz VPQCRVPOJCTWSP-ZWKOTPCHSA-N 2 0 349.478 3.356 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](C)CC)C[C@H]21 ZINC001221876658 1373801297 /nfs/dbraw/zinc/80/12/97/1373801297.db2.gz NKEBTLKZUFZKDL-GUDVDZBRSA-N 2 0 337.552 3.077 20 0 EGADRP CCc1ccc(C[NH2+]CCNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001131819232 1373820488 /nfs/dbraw/zinc/82/04/88/1373820488.db2.gz QBUJRGKYKDOKCZ-UHFFFAOYSA-N 2 0 345.531 3.109 20 0 EGADRP c1ccc(C[N@H+]2CC[C@@H](CN3CCC[C@@]4(CCCC[NH2+]4)C3)C2)cc1 ZINC001222385758 1373831875 /nfs/dbraw/zinc/83/18/75/1373831875.db2.gz VZIWRBJHZRXZPO-RTWAWAEBSA-N 2 0 327.516 3.117 20 0 EGADRP c1nn(CC[NH+]2CCCC2)cc1-c1cnccc1C[NH+]1CCCCC1 ZINC001222499402 1373849774 /nfs/dbraw/zinc/84/97/74/1373849774.db2.gz DYVBBJSWOHNLDO-UHFFFAOYSA-N 2 0 339.487 3.027 20 0 EGADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCCCC[NH2+]1 ZINC001326906865 1388345727 /nfs/dbraw/zinc/34/57/27/1388345727.db2.gz OGQCDUPHPYAWHL-SFHVURJKSA-N 2 0 347.528 3.345 20 0 EGADRP CC/C=C/CC[NH+]1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001225063840 1375090767 /nfs/dbraw/zinc/09/07/67/1375090767.db2.gz OTEIVKCZFWTFET-AATRIKPKSA-N 2 0 349.563 3.291 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC1CC[NH+](CCCF)CC1 ZINC001225143205 1375094610 /nfs/dbraw/zinc/09/46/10/1375094610.db2.gz VDIDLWRRBOHTTH-UHFFFAOYSA-N 2 0 343.531 3.076 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001225245708 1375098964 /nfs/dbraw/zinc/09/89/64/1375098964.db2.gz WHXXTUUHRBXFBH-GOSISDBHSA-N 2 0 339.568 3.229 20 0 EGADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001225244652 1375099499 /nfs/dbraw/zinc/09/94/99/1375099499.db2.gz KSBBKPNTMGKHCM-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225463512 1375113196 /nfs/dbraw/zinc/11/31/96/1375113196.db2.gz HEERDEBEFVCHPP-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C[N@@H+]1CCCC(C)(C)C ZINC001132090334 1375139592 /nfs/dbraw/zinc/13/95/92/1375139592.db2.gz GNCVXDJGRAOBCF-NVXWUHKLSA-N 2 0 334.508 3.138 20 0 EGADRP CCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132140418 1375167526 /nfs/dbraw/zinc/16/75/26/1375167526.db2.gz IHZWQPOOVKJPSW-RDJZCZTQSA-N 2 0 342.487 3.416 20 0 EGADRP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCCC(C)(C)C ZINC001132149099 1375170805 /nfs/dbraw/zinc/17/08/05/1375170805.db2.gz FWDHDMDOXCRPPM-ROUUACIJSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@@H+]1CCCC(C)(C)C ZINC001132149101 1375170979 /nfs/dbraw/zinc/17/09/79/1375170979.db2.gz FWDHDMDOXCRPPM-ZWKOTPCHSA-N 2 0 349.563 3.410 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132152513 1375172678 /nfs/dbraw/zinc/17/26/78/1375172678.db2.gz DICBRGQKYLAUBE-FUHWJXTLSA-N 2 0 335.536 3.186 20 0 EGADRP CCc1nccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001226323597 1375239929 /nfs/dbraw/zinc/23/99/29/1375239929.db2.gz PEQWYLGZMIRRHP-BRWVUGGUSA-N 2 0 334.508 3.070 20 0 EGADRP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226334393 1375242064 /nfs/dbraw/zinc/24/20/64/1375242064.db2.gz SWWFHOZXFHDHSI-NJNGULPTSA-N 2 0 335.536 3.090 20 0 EGADRP Cc1cc(C)c(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c(C)c1 ZINC001132266468 1375255156 /nfs/dbraw/zinc/25/51/56/1375255156.db2.gz XHQPVPBHAQTGPW-RTBURBONSA-N 2 0 345.531 3.033 20 0 EGADRP CC(C)(C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)[NH+]1CCCC1 ZINC001132284019 1375267985 /nfs/dbraw/zinc/26/79/85/1375267985.db2.gz SIAHGFDEHQYKBQ-UHFFFAOYSA-N 2 0 343.515 3.034 20 0 EGADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001226612939 1375292196 /nfs/dbraw/zinc/29/21/96/1375292196.db2.gz DKVBIKJWQSCEQF-QRVBRYPASA-N 2 0 337.552 3.458 20 0 EGADRP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@@H]1C ZINC001132330208 1375308650 /nfs/dbraw/zinc/30/86/50/1375308650.db2.gz CHGZMWNJDOIMLM-PLQXZHKYSA-N 2 0 346.519 3.332 20 0 EGADRP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@@H]1C ZINC001132330210 1375308727 /nfs/dbraw/zinc/30/87/27/1375308727.db2.gz CHGZMWNJDOIMLM-ZGKJDNBHSA-N 2 0 346.519 3.332 20 0 EGADRP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380849 1375340415 /nfs/dbraw/zinc/34/04/15/1375340415.db2.gz QFKYXHOSOBZHFL-SLVIYJBESA-N 2 0 349.563 3.434 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226892003 1375353680 /nfs/dbraw/zinc/35/36/80/1375353680.db2.gz XQWMOYWWFQNGHH-IPMKNSEASA-N 2 0 337.552 3.314 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132410057 1375358784 /nfs/dbraw/zinc/35/87/84/1375358784.db2.gz JHTUQWWNVUJALR-PKOBYXMFSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132435741 1375379268 /nfs/dbraw/zinc/37/92/68/1375379268.db2.gz FUSBUBHDAWZXND-LPHOPBHVSA-N 2 0 349.494 3.027 20 0 EGADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@@H+]1CCC(C)(C)C ZINC001132436723 1375381443 /nfs/dbraw/zinc/38/14/43/1375381443.db2.gz NCZXRIGTOXJJEY-SJORKVTESA-N 2 0 325.541 3.124 20 0 EGADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1C ZINC001327089795 1388375649 /nfs/dbraw/zinc/37/56/49/1388375649.db2.gz NZDUBGSKXROMGU-QGZVFWFLSA-N 2 0 329.488 3.096 20 0 EGADRP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227302224 1375418517 /nfs/dbraw/zinc/41/85/17/1375418517.db2.gz GRMGQOUDKAVUBL-QZTJIDSGSA-N 2 0 342.487 3.401 20 0 EGADRP CCC/C=C/CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227876773 1375485639 /nfs/dbraw/zinc/48/56/39/1375485639.db2.gz KOHSTBFLDTVNOO-UEKDZROGSA-N 2 0 335.536 3.188 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001228053343 1375512741 /nfs/dbraw/zinc/51/27/41/1375512741.db2.gz DNOKHLRKAPTXQF-XFXZXTDPSA-N 2 0 343.515 3.011 20 0 EGADRP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001228168963 1375523246 /nfs/dbraw/zinc/52/32/46/1375523246.db2.gz OJRVTPLUNPSALF-MRXNPFEDSA-N 2 0 342.487 3.211 20 0 EGADRP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228206154 1375527648 /nfs/dbraw/zinc/52/76/48/1375527648.db2.gz GWSKJRBQQNFDCB-PJHKVULZSA-N 2 0 347.503 3.328 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001228260743 1375536756 /nfs/dbraw/zinc/53/67/56/1375536756.db2.gz DRTOSOAEAUVUHP-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)CC1 ZINC001228334124 1375550116 /nfs/dbraw/zinc/55/01/16/1375550116.db2.gz LHLOEZCXZDQDDI-WOJBJXKFSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355471 1375555846 /nfs/dbraw/zinc/55/58/46/1375555846.db2.gz PEUVJFGABVJBOS-WOJBJXKFSA-N 2 0 345.531 3.279 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228624235 1375620626 /nfs/dbraw/zinc/62/06/26/1375620626.db2.gz UEPBXFWENFQSRY-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132893869 1375629801 /nfs/dbraw/zinc/62/98/01/1375629801.db2.gz SZGWCTXWLASWMW-JNVNVXKGSA-N 2 0 349.563 3.291 20 0 EGADRP CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001228661886 1375632396 /nfs/dbraw/zinc/63/23/96/1375632396.db2.gz ZFIRBVFYNQMXTP-AQNXPRMDSA-N 2 0 345.531 3.106 20 0 EGADRP CCCCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973681 1375687951 /nfs/dbraw/zinc/68/79/51/1375687951.db2.gz PFTBEGFKYYVSEU-WMZOPIPTSA-N 2 0 342.487 3.212 20 0 EGADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)(C)C)CC1 ZINC001228932796 1375720794 /nfs/dbraw/zinc/72/07/94/1375720794.db2.gz WLLWFAIHSPAQFZ-QZTJIDSGSA-N 2 0 337.552 3.172 20 0 EGADRP CC(C)c1ccc([C@H](C)[NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001228998556 1375731858 /nfs/dbraw/zinc/73/18/58/1375731858.db2.gz GHUNCIUNBFRJAJ-KRWDZBQOSA-N 2 0 345.531 3.403 20 0 EGADRP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001229172012 1375780337 /nfs/dbraw/zinc/78/03/37/1375780337.db2.gz TZDDKKAKXXNOQN-GDWUOILNSA-N 2 0 337.552 3.434 20 0 EGADRP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1)[NH+](CC)CC ZINC001229171954 1375780839 /nfs/dbraw/zinc/78/08/39/1375780839.db2.gz SOOTYFDBBNFGGA-HXUWFJFHSA-N 2 0 345.531 3.196 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001229231755 1375791724 /nfs/dbraw/zinc/79/17/24/1375791724.db2.gz UJKPQIBAKFFEHX-RTBURBONSA-N 2 0 337.552 3.316 20 0 EGADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133176989 1375824403 /nfs/dbraw/zinc/82/44/03/1375824403.db2.gz BQRKJFARQYUJHO-ZWKOTPCHSA-N 2 0 339.568 3.229 20 0 EGADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229615818 1375865695 /nfs/dbraw/zinc/86/56/95/1375865695.db2.gz ULDIGULVZFFWID-WOJBJXKFSA-N 2 0 347.547 3.092 20 0 EGADRP CCCCCC[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001229993124 1375927524 /nfs/dbraw/zinc/92/75/24/1375927524.db2.gz POALQIONGFYCMQ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCCCC[NH+]1CCC(NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229999612 1375928346 /nfs/dbraw/zinc/92/83/46/1375928346.db2.gz MLEHCHZNBKYPGJ-OAQYLSRUSA-N 2 0 345.531 3.234 20 0 EGADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001230274926 1375980523 /nfs/dbraw/zinc/98/05/23/1375980523.db2.gz SXXNVKNCNKJGKF-QRVBRYPASA-N 2 0 337.552 3.314 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001230274798 1375981478 /nfs/dbraw/zinc/98/14/78/1375981478.db2.gz MKAOIQZTVUPMSB-QXAKKESOSA-N 2 0 331.504 3.105 20 0 EGADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001230284490 1375984948 /nfs/dbraw/zinc/98/49/48/1375984948.db2.gz HJSKLQFECHJPFR-WOJBJXKFSA-N 2 0 345.531 3.161 20 0 EGADRP CC1(C)CC(C[NH+]2CCC(NC(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001230288146 1375985687 /nfs/dbraw/zinc/98/56/87/1375985687.db2.gz LOVDKXJFIPKEKL-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)CC ZINC001133410668 1375993541 /nfs/dbraw/zinc/99/35/41/1375993541.db2.gz UTIIYRWNTIUFRP-UHFFFAOYSA-N 2 0 339.911 3.010 20 0 EGADRP CC/C=C/CC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001230359522 1376008440 /nfs/dbraw/zinc/00/84/40/1376008440.db2.gz CKXXEQXZJNDHLP-AATRIKPKSA-N 2 0 343.515 3.299 20 0 EGADRP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230377892 1376009379 /nfs/dbraw/zinc/00/93/79/1376009379.db2.gz CBBRCZBOCFWABV-KKHYBRAUSA-N 2 0 349.563 3.434 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1)[NH+]1CCCC1 ZINC001230378619 1376010759 /nfs/dbraw/zinc/01/07/59/1376010759.db2.gz RIHONBACTUXSLI-IBGZPJMESA-N 2 0 349.563 3.124 20 0 EGADRP CC[C@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611724 1376102590 /nfs/dbraw/zinc/10/25/90/1376102590.db2.gz YZDYPGYMELXHJA-HKUYNNGSSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)[NH+](CC)CC ZINC001133685157 1376154044 /nfs/dbraw/zinc/15/40/44/1376154044.db2.gz QOITYFHYWFZFFX-QGZVFWFLSA-N 2 0 325.541 3.029 20 0 EGADRP Cc1cnc2n1CCC21CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC001231581531 1376272153 /nfs/dbraw/zinc/27/21/53/1376272153.db2.gz UQDWHWKUKJFBOE-UHFFFAOYSA-N 2 0 342.512 3.464 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001327196833 1388437723 /nfs/dbraw/zinc/43/77/23/1388437723.db2.gz XIUZMEUXIJKEEU-LSTHTHJFSA-N 2 0 343.515 3.195 20 0 EGADRP O=C1Nc2ccccc2C2(CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)N1 ZINC001232016389 1376386655 /nfs/dbraw/zinc/38/66/55/1376386655.db2.gz WXPNYQHYHLCYNZ-UHFFFAOYSA-N 2 0 347.422 3.189 20 0 EGADRP C[C@@H]1CN(Cc2cc(F)cc(C[NH+](C)C)c2)CC[C@@]1(O)C(F)(F)F ZINC001232144650 1376408395 /nfs/dbraw/zinc/40/83/95/1376408395.db2.gz MMXXQWXATDXGHL-WBMJQRKESA-N 2 0 348.384 3.023 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(O)c3ncccc13)CC2 ZINC001232277812 1376430574 /nfs/dbraw/zinc/43/05/74/1376430574.db2.gz UTHCGJJCNLDJQU-UHFFFAOYSA-N 2 0 325.456 3.248 20 0 EGADRP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369743 1376497509 /nfs/dbraw/zinc/49/75/09/1376497509.db2.gz RNGOKNPDMQHLDE-IAGOWNOFSA-N 2 0 325.541 3.314 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369522 1376497640 /nfs/dbraw/zinc/49/76/40/1376497640.db2.gz NNBHCGYPAFJYEH-DLBZAZTESA-N 2 0 343.531 3.264 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369744 1376498004 /nfs/dbraw/zinc/49/80/04/1376498004.db2.gz RNGOKNPDMQHLDE-IRXDYDNUSA-N 2 0 325.541 3.314 20 0 EGADRP C[NH+]1CCC2(C[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C2)CC1 ZINC001232890406 1376534121 /nfs/dbraw/zinc/53/41/21/1376534121.db2.gz VOIGIJKJXSGMQN-UHFFFAOYSA-N 2 0 325.431 3.415 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3cc(C)c[nH]c3=O)CC2)CC1 ZINC001233194538 1376583756 /nfs/dbraw/zinc/58/37/56/1376583756.db2.gz SVTCCRSENXBHLY-UHFFFAOYSA-N 2 0 331.504 3.430 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001134583753 1376607831 /nfs/dbraw/zinc/60/78/31/1376607831.db2.gz NXSJBYHUEZXWLE-QZTJIDSGSA-N 2 0 345.531 3.161 20 0 EGADRP CCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001134583005 1376607996 /nfs/dbraw/zinc/60/79/96/1376607996.db2.gz COXSUANHSVMSPQ-IAGOWNOFSA-N 2 0 345.531 3.106 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134607180 1376622058 /nfs/dbraw/zinc/62/20/58/1376622058.db2.gz FGOSXGYUCAULCH-ROUUACIJSA-N 2 0 345.531 3.161 20 0 EGADRP CCc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001134606964 1376622578 /nfs/dbraw/zinc/62/25/78/1376622578.db2.gz BSXLLFDRMMKLBG-SJORKVTESA-N 2 0 345.531 3.106 20 0 EGADRP C[NH+]1CCC(C2CC[NH+](Cc3c[nH]c(Br)c3)CC2)CC1 ZINC001233436877 1376644994 /nfs/dbraw/zinc/64/49/94/1376644994.db2.gz BWXITIWDUIJERE-UHFFFAOYSA-N 2 0 340.309 3.331 20 0 EGADRP C[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)[NH+]1CCCCCC1 ZINC001134758171 1376704074 /nfs/dbraw/zinc/70/40/74/1376704074.db2.gz YTLAEKFXWQASSM-KRWDZBQOSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134757580 1376704090 /nfs/dbraw/zinc/70/40/90/1376704090.db2.gz QARFLHZJGUFKDG-QZTJIDSGSA-N 2 0 331.504 3.026 20 0 EGADRP C[C@@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)[NH+]1CCCCCC1 ZINC001134759676 1376704722 /nfs/dbraw/zinc/70/47/22/1376704722.db2.gz XPTZGHMSEZDCBX-PXNSSMCTSA-N 2 0 343.515 3.034 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001134759427 1376704915 /nfs/dbraw/zinc/70/49/15/1376704915.db2.gz OXBSMQHPLJYSEP-MSOLQXFVSA-N 2 0 331.504 3.026 20 0 EGADRP CCCc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001134762985 1376707166 /nfs/dbraw/zinc/70/71/66/1376707166.db2.gz JOIBECNPABNEQA-HXUWFJFHSA-N 2 0 345.531 3.108 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134762789 1376707425 /nfs/dbraw/zinc/70/74/25/1376707425.db2.gz GTLBCYDATKYUNL-HKUYNNGSSA-N 2 0 331.504 3.025 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001134772369 1376711850 /nfs/dbraw/zinc/71/18/50/1376711850.db2.gz COCOPVWAIKXBFW-CVEARBPZSA-N 2 0 327.557 3.416 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001134772441 1376711702 /nfs/dbraw/zinc/71/17/02/1376711702.db2.gz DFFBOSMHGOORBU-MSOLQXFVSA-N 2 0 347.547 3.407 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001134773951 1376713293 /nfs/dbraw/zinc/71/32/93/1376713293.db2.gz SENNOOMWRZCSPQ-HZPDHXFCSA-N 2 0 325.541 3.170 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001134773475 1376713559 /nfs/dbraw/zinc/71/35/59/1376713559.db2.gz PLMPMQQAYSJBLV-IRXDYDNUSA-N 2 0 337.552 3.480 20 0 EGADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001134773664 1376714153 /nfs/dbraw/zinc/71/41/53/1376714153.db2.gz QDUKRKCGLHXTJG-ZWKOTPCHSA-N 2 0 347.547 3.141 20 0 EGADRP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784064 1376718888 /nfs/dbraw/zinc/71/88/88/1376718888.db2.gz RESPDVLIENHUGY-MSOLQXFVSA-N 2 0 348.535 3.361 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCC1 ZINC001134791558 1376725191 /nfs/dbraw/zinc/72/51/91/1376725191.db2.gz TZUBDRFYUYLEKF-CVEARBPZSA-N 2 0 337.552 3.312 20 0 EGADRP Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCCC2)ccc2c[nH+]cn21 ZINC001134809758 1376737019 /nfs/dbraw/zinc/73/70/19/1376737019.db2.gz RZTPFKAXXLMRNZ-CABCVRRESA-N 2 0 342.487 3.319 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857535 1376757355 /nfs/dbraw/zinc/75/73/55/1376757355.db2.gz DZEDJBFFICILFS-ZWKOTPCHSA-N 2 0 347.547 3.378 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857517 1376757630 /nfs/dbraw/zinc/75/76/30/1376757630.db2.gz DRPMYBHUIMHDPB-IAGOWNOFSA-N 2 0 335.536 3.068 20 0 EGADRP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994508 1376833348 /nfs/dbraw/zinc/83/33/48/1376833348.db2.gz RWPBRBDRBUHAEJ-HZPDHXFCSA-N 2 0 340.471 3.321 20 0 EGADRP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)OCCCO2 ZINC001235429189 1376869626 /nfs/dbraw/zinc/86/96/26/1376869626.db2.gz QCIOZZRSQMMYDK-QZTJIDSGSA-N 2 0 330.472 3.060 20 0 EGADRP COc1ccc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235429734 1376869920 /nfs/dbraw/zinc/86/99/20/1376869920.db2.gz RERONZQEVPHUQO-HZPDHXFCSA-N 2 0 327.472 3.388 20 0 EGADRP COc1cccc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235428812 1376870874 /nfs/dbraw/zinc/87/08/74/1376870874.db2.gz REEIEQSWKULOJC-CVEARBPZSA-N 2 0 327.472 3.388 20 0 EGADRP Clc1cccn2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC001235431291 1376871734 /nfs/dbraw/zinc/87/17/34/1376871734.db2.gz ZHEHUHVFMHAGID-GJZGRUSLSA-N 2 0 332.879 3.199 20 0 EGADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001235631991 1376878245 /nfs/dbraw/zinc/87/82/45/1376878245.db2.gz NJMHUWRRGOHZBH-VQTJNVASSA-N 2 0 338.536 3.336 20 0 EGADRP c1ccc2c(c1)CCOC21CC[NH+](Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001235946648 1376921745 /nfs/dbraw/zinc/92/17/45/1376921745.db2.gz OEVHDBODAQAKBI-UHFFFAOYSA-N 2 0 348.490 3.396 20 0 EGADRP c1ccc2c(c1)CCOC21CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001235946039 1376921976 /nfs/dbraw/zinc/92/19/76/1376921976.db2.gz IWHYAUHYIKIZQO-UHFFFAOYSA-N 2 0 348.490 3.396 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181178 1376952893 /nfs/dbraw/zinc/95/28/93/1376952893.db2.gz MRRYLLPMGWXWMV-HOTGVXAUSA-N 2 0 337.552 3.170 20 0 EGADRP C[NH+](C)CCOc1ccc(-c2cnc3[nH]cc(C[NH+](C)C)c3c2)cc1 ZINC001242152792 1377022835 /nfs/dbraw/zinc/02/28/35/1377022835.db2.gz NCNRPKBSHAUNDX-UHFFFAOYSA-N 2 0 338.455 3.232 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)c1occc1C[NH+](C)C)[NH2+]CC1CCCC1 ZINC001135298095 1377025964 /nfs/dbraw/zinc/02/59/64/1377025964.db2.gz KLWRKTJAZIUDIF-CABCVRRESA-N 2 0 335.492 3.018 20 0 EGADRP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001135298058 1377026020 /nfs/dbraw/zinc/02/60/20/1377026020.db2.gz KGBAKFYSWJEJKC-MSOLQXFVSA-N 2 0 345.531 3.018 20 0 EGADRP Cc1ccc(CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001135315086 1377033998 /nfs/dbraw/zinc/03/39/98/1377033998.db2.gz LDIXBBKQMHYLTE-RTBURBONSA-N 2 0 347.547 3.142 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCC[NH+](C)C ZINC001135316323 1377034290 /nfs/dbraw/zinc/03/42/90/1377034290.db2.gz UEVNTMHPADTNRU-DLBZAZTESA-N 2 0 325.541 3.172 20 0 EGADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c(C)c1 ZINC001135317057 1377034635 /nfs/dbraw/zinc/03/46/35/1377034635.db2.gz WMRBONARNJADMQ-ROUUACIJSA-N 2 0 333.520 3.018 20 0 EGADRP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)s1 ZINC001135320424 1377036726 /nfs/dbraw/zinc/03/67/26/1377036726.db2.gz OJZNMBINZKPJOJ-ZIAGYGMSSA-N 2 0 339.549 3.080 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC001135337255 1377044865 /nfs/dbraw/zinc/04/48/65/1377044865.db2.gz XTNDGDWXNRVJEA-KRWDZBQOSA-N 2 0 339.483 3.137 20 0 EGADRP FC(F)(F)c1cc(C[NH2+][C@@H]2CSC3(C[NH2+]C3)C2)ccc1Cl ZINC001246160994 1377050436 /nfs/dbraw/zinc/05/04/36/1377050436.db2.gz WVFUGVHYNFHELF-JTQLQIEISA-N 2 0 336.810 3.296 20 0 EGADRP c1ccc(C[C@@H](CN2CCCC2)[NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246297485 1377051096 /nfs/dbraw/zinc/05/10/96/1377051096.db2.gz GMXUJFJSGVACAT-FSSWDIPSSA-N 2 0 341.543 3.205 20 0 EGADRP Clc1ccccc1CC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246380951 1377051652 /nfs/dbraw/zinc/05/16/52/1377051652.db2.gz KYVSCVPVQBHFPY-PIIMJCKOSA-N 2 0 347.934 3.267 20 0 EGADRP CC1(C)C[C@H](NC2(Cc3ccccc3Cl)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381952 1377051669 /nfs/dbraw/zinc/05/16/69/1377051669.db2.gz VJGXDBRIGBKQMH-MRXNPFEDSA-N 2 0 335.923 3.125 20 0 EGADRP Clc1ccccc1CC1(N[C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC001246381586 1377051701 /nfs/dbraw/zinc/05/17/01/1377051701.db2.gz QMXSRBUKNSFMHV-QGZVFWFLSA-N 2 0 347.934 3.269 20 0 EGADRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246543290 1377052525 /nfs/dbraw/zinc/05/25/25/1377052525.db2.gz MLCFWSIMUOPSJS-RHSMWYFYSA-N 2 0 343.298 3.026 20 0 EGADRP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C3)c1 ZINC001246717469 1377053590 /nfs/dbraw/zinc/05/35/90/1377053590.db2.gz ACRKAMGCNFWOSR-NRDMVMEKSA-N 2 0 343.515 3.149 20 0 EGADRP C[N@H+]([C@@H]1CCC[NH+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529471 1377106315 /nfs/dbraw/zinc/10/63/15/1377106315.db2.gz GHHLFVCTPUKAKH-VQIMIIECSA-N 2 0 339.524 3.192 20 0 EGADRP C[N@@H+]1CCC[C@@H](N2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001254528036 1377106997 /nfs/dbraw/zinc/10/69/97/1377106997.db2.gz BSKBFQOKKXVBCR-HXUWFJFHSA-N 2 0 327.516 3.069 20 0 EGADRP C[C@@H](C[C@H](C)[NH2+]CCc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475662 1377110208 /nfs/dbraw/zinc/11/02/08/1377110208.db2.gz DNWOWHSBIDOPQN-ROUUACIJSA-N 2 0 347.547 3.080 20 0 EGADRP O=C1CC[C@@H]([NH2+]CCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001258569316 1377117820 /nfs/dbraw/zinc/11/78/20/1377117820.db2.gz SYWCFKVXRKUJRT-HXUWFJFHSA-N 2 0 343.515 3.033 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614012 1377162369 /nfs/dbraw/zinc/16/23/69/1377162369.db2.gz LACJZASZZHZDPJ-JKSUJKDBSA-N 2 0 325.541 3.027 20 0 EGADRP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675508 1377180835 /nfs/dbraw/zinc/18/08/35/1377180835.db2.gz HJPKBFAOVPLGMK-DLBZAZTESA-N 2 0 333.520 3.425 20 0 EGADRP CCCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC)cc1 ZINC001135744091 1377199882 /nfs/dbraw/zinc/19/98/82/1377199882.db2.gz VNRZTQOYDBXOIE-MSOLQXFVSA-N 2 0 347.547 3.354 20 0 EGADRP CC[C@@H]([NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001266158824 1377210773 /nfs/dbraw/zinc/21/07/73/1377210773.db2.gz XEVXCACBJUUJFJ-IEBWSBKVSA-N 2 0 343.515 3.251 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135861143 1377237991 /nfs/dbraw/zinc/23/79/91/1377237991.db2.gz MTVAMDBZEYPEFT-GJZGRUSLSA-N 2 0 339.911 3.055 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135860805 1377238079 /nfs/dbraw/zinc/23/80/79/1377238079.db2.gz HTIILQQYSMHHGH-RTBURBONSA-N 2 0 347.547 3.327 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135861925 1377238727 /nfs/dbraw/zinc/23/87/27/1377238727.db2.gz YZEKFGJMGWDEOX-LSDHHAIUSA-N 2 0 347.494 3.027 20 0 EGADRP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944645 1377272934 /nfs/dbraw/zinc/27/29/34/1377272934.db2.gz NQQJAZHUVJXLQL-JKSUJKDBSA-N 2 0 348.535 3.460 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135965250 1377278284 /nfs/dbraw/zinc/27/82/84/1377278284.db2.gz BGKXQDNFILBHGN-ROUUACIJSA-N 2 0 333.520 3.100 20 0 EGADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)c(C)c1 ZINC001135973947 1377283110 /nfs/dbraw/zinc/28/31/10/1377283110.db2.gz FVURGXPCCGVFSL-MOPGFXCFSA-N 2 0 347.547 3.408 20 0 EGADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CC1CCCCC1 ZINC001135976697 1377284491 /nfs/dbraw/zinc/28/44/91/1377284491.db2.gz LTYLJGNJSJLBOT-SJORKVTESA-N 2 0 325.541 3.172 20 0 EGADRP CCCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC)cc1 ZINC001135981001 1377285975 /nfs/dbraw/zinc/28/59/75/1377285975.db2.gz VYUXXEIFJDJTTD-ZWKOTPCHSA-N 2 0 347.547 3.354 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135980535 1377286319 /nfs/dbraw/zinc/28/63/19/1377286319.db2.gz PPMKDANNEWQZOO-IRXDYDNUSA-N 2 0 345.531 3.279 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135996355 1377292152 /nfs/dbraw/zinc/29/21/52/1377292152.db2.gz RSIBTRWGNSBJQF-QZTJIDSGSA-N 2 0 347.547 3.354 20 0 EGADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001266360648 1377294893 /nfs/dbraw/zinc/29/48/93/1377294893.db2.gz ALXOGFQZERQDDB-LJQANCHMSA-N 2 0 335.536 3.023 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cccc(F)c1 ZINC001266579287 1377336931 /nfs/dbraw/zinc/33/69/31/1377336931.db2.gz LVEYBQCORFWBSX-LJQANCHMSA-N 2 0 349.494 3.028 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC001136473379 1377396695 /nfs/dbraw/zinc/39/66/95/1377396695.db2.gz KXQIUKAKMLKUHD-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001266986977 1377407820 /nfs/dbraw/zinc/40/78/20/1377407820.db2.gz GSCXCITWGBBPDM-FUHWJXTLSA-N 2 0 325.541 3.027 20 0 EGADRP COc1ccc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001137037748 1377462764 /nfs/dbraw/zinc/46/27/64/1377462764.db2.gz WFFYGILJZIFSSW-UHFFFAOYSA-N 2 0 339.483 3.434 20 0 EGADRP C[N@H+](CCCC1CCCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001267759266 1377468374 /nfs/dbraw/zinc/46/83/74/1377468374.db2.gz WAHHLRVLCMPHRA-FQEVSTJZSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1csc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1Cl ZINC001137293839 1377511281 /nfs/dbraw/zinc/51/12/81/1377511281.db2.gz DOKQAJZORDKOHH-UHFFFAOYSA-N 2 0 341.952 3.169 20 0 EGADRP CC[NH+]1CCC(CC2CC[NH+](Cc3cccc(OC)n3)CC2)CC1 ZINC001137535248 1377562438 /nfs/dbraw/zinc/56/24/38/1377562438.db2.gz CSTJCNOEPPIEIN-UHFFFAOYSA-N 2 0 331.504 3.424 20 0 EGADRP COc1cc(Cl)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1OC ZINC001138746618 1377779493 /nfs/dbraw/zinc/77/94/93/1377779493.db2.gz IYTZLEFZVUVGIY-UHFFFAOYSA-N 2 0 326.868 3.131 20 0 EGADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c3cc[nH]c3ncc1Cl)CC2 ZINC001138953429 1377807962 /nfs/dbraw/zinc/80/79/62/1377807962.db2.gz WUCISJVUJNZABH-UHFFFAOYSA-N 2 0 332.879 3.476 20 0 EGADRP CCOc1ccc(C)cc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001139605259 1377916093 /nfs/dbraw/zinc/91/60/93/1377916093.db2.gz VGKUVDUNROEPBQ-UHFFFAOYSA-N 2 0 335.536 3.099 20 0 EGADRP Cc1nc(-c2ccccc2)sc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001139822439 1377957135 /nfs/dbraw/zinc/95/71/35/1377957135.db2.gz CADXRMATJUGAAV-UHFFFAOYSA-N 2 0 346.544 3.044 20 0 EGADRP Cc1cc(N2CC[NH+](Cc3ccccc3-c3cncnc3)CC2)cc[nH+]1 ZINC001140023292 1377991969 /nfs/dbraw/zinc/99/19/69/1377991969.db2.gz JQCUGMBDGAVAIW-UHFFFAOYSA-N 2 0 345.450 3.169 20 0 EGADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001140408535 1378058452 /nfs/dbraw/zinc/05/84/52/1378058452.db2.gz ADNOFPISLAEDQN-SJORKVTESA-N 2 0 342.874 3.181 20 0 EGADRP COC(=O)Cc1ccccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140653441 1378106207 /nfs/dbraw/zinc/10/62/07/1378106207.db2.gz LCCHAVHIQRISKW-FQEVSTJZSA-N 2 0 344.499 3.243 20 0 EGADRP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275767956 1378156578 /nfs/dbraw/zinc/15/65/78/1378156578.db2.gz LDKZAKJRNUAAQB-SIKLNZKXSA-N 2 0 337.511 3.216 20 0 EGADRP Cc1nccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140939470 1378186178 /nfs/dbraw/zinc/18/61/78/1378186178.db2.gz MWAYPKSZBFBIQU-PMACEKPBSA-N 2 0 336.483 3.129 20 0 EGADRP Cc1cccc(CC[N@@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001140970995 1378195995 /nfs/dbraw/zinc/19/59/95/1378195995.db2.gz CLMQAARBWHQBCE-UHFFFAOYSA-N 2 0 337.511 3.421 20 0 EGADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001140974324 1378197569 /nfs/dbraw/zinc/19/75/69/1378197569.db2.gz ZRWWHOWYUOGJCA-HXUWFJFHSA-N 2 0 336.483 3.171 20 0 EGADRP C[N@@H+](Cc1ccncc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001141085545 1378236126 /nfs/dbraw/zinc/23/61/26/1378236126.db2.gz KVYJMECLJMKBEP-UHFFFAOYSA-N 2 0 348.491 3.202 20 0 EGADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12C[NH+](CCCC1CCCC1)C2 ZINC001278021977 1378255274 /nfs/dbraw/zinc/25/52/74/1378255274.db2.gz ODOBOYQIQJQAJU-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCN(C(=O)[C@@H]1CCC[C@]12CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2)C(C)C ZINC001278148779 1378260374 /nfs/dbraw/zinc/26/03/74/1378260374.db2.gz PWWAHSPMYDRDIQ-SVFBPWRDSA-N 2 0 349.563 3.077 20 0 EGADRP CCc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001141229735 1378277497 /nfs/dbraw/zinc/27/74/97/1378277497.db2.gz PUSTYHLZRXLWQK-LJQANCHMSA-N 2 0 344.499 3.098 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001280770501 1378372280 /nfs/dbraw/zinc/37/22/80/1378372280.db2.gz QYGFMAOYSRJMEB-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001282494823 1378513216 /nfs/dbraw/zinc/51/32/16/1378513216.db2.gz QOOOCGDGUPWXLX-RBUKOAKNSA-N 2 0 345.531 3.450 20 0 EGADRP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282667231 1378540302 /nfs/dbraw/zinc/54/03/02/1378540302.db2.gz XDXYLLLOIGRERJ-MOPGFXCFSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001143140075 1378546300 /nfs/dbraw/zinc/54/63/00/1378546300.db2.gz ICJPONZGKZZWFC-ROUUACIJSA-N 2 0 339.568 3.323 20 0 EGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2scnc2c1 ZINC001144738990 1378767224 /nfs/dbraw/zinc/76/72/24/1378767224.db2.gz OAXGCPKZJVOQTP-UHFFFAOYSA-N 2 0 334.533 3.002 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535780 1378862515 /nfs/dbraw/zinc/86/25/15/1378862515.db2.gz OMDWSJROEWCYRJ-OALUTQOASA-N 2 0 345.531 3.244 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001146593041 1378873738 /nfs/dbraw/zinc/87/37/38/1378873738.db2.gz MSXKXGDMIGCHDW-IRXDYDNUSA-N 2 0 325.541 3.170 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001146591917 1378874042 /nfs/dbraw/zinc/87/40/42/1378874042.db2.gz IHCMMXDHUBGHBT-RBUKOAKNSA-N 2 0 347.547 3.222 20 0 EGADRP CCc1ccc(CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001146599603 1378874628 /nfs/dbraw/zinc/87/46/28/1378874628.db2.gz CGDCCQNXMRZBCS-MSOLQXFVSA-N 2 0 347.547 3.005 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001147359182 1379008320 /nfs/dbraw/zinc/00/83/20/1379008320.db2.gz NGDDQJYJXDGUDY-VQIMIIECSA-N 2 0 349.494 3.247 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001147358554 1379008418 /nfs/dbraw/zinc/00/84/18/1379008418.db2.gz GPYQZOVPIBSMBU-LJQANCHMSA-N 2 0 337.552 3.317 20 0 EGADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001147449496 1379023208 /nfs/dbraw/zinc/02/32/08/1379023208.db2.gz SKKGZGGXHXHNGF-INIZCTEOSA-N 2 0 347.494 3.030 20 0 EGADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CCC1CCCCC1)c1ccccc1 ZINC001147457031 1379025231 /nfs/dbraw/zinc/02/52/31/1379025231.db2.gz CJGUBJSNPIVWRJ-HXUWFJFHSA-N 2 0 345.531 3.356 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658167 1379057100 /nfs/dbraw/zinc/05/71/00/1379057100.db2.gz IRJQGRGUBJGGGL-OVKVCFKUSA-N 2 0 347.547 3.142 20 0 EGADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001147824515 1379086166 /nfs/dbraw/zinc/08/61/66/1379086166.db2.gz KRUJPJLJIOIITF-MSOLQXFVSA-N 2 0 337.552 3.029 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993593 1379104503 /nfs/dbraw/zinc/10/45/03/1379104503.db2.gz XINRWRIHBDAYRR-GOSISDBHSA-N 2 0 349.563 3.079 20 0 EGADRP Cc1c(C)c(C)c(C[NH2+]CCNC(=O)CCCC[NH+](C)C)c(C)c1C ZINC001148360081 1379156471 /nfs/dbraw/zinc/15/64/71/1379156471.db2.gz NLTBGVSRMFZHAB-UHFFFAOYSA-N 2 0 347.547 3.166 20 0 EGADRP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001148365098 1379157667 /nfs/dbraw/zinc/15/76/67/1379157667.db2.gz GXWDPWWDFMXFJS-QGZVFWFLSA-N 2 0 341.499 3.339 20 0 EGADRP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385842 1379161418 /nfs/dbraw/zinc/16/14/18/1379161418.db2.gz RHTZADAIBWOTQH-LJQANCHMSA-N 2 0 349.563 3.220 20 0 EGADRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC001327781260 1388595479 /nfs/dbraw/zinc/59/54/79/1388595479.db2.gz KIXBKLDZBYLNHM-CQSZACIVSA-N 2 0 342.409 3.051 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CCCCCC1)C2 ZINC001148657193 1379236115 /nfs/dbraw/zinc/23/61/15/1379236115.db2.gz PJISJALPQIAFJU-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361275 1379704794 /nfs/dbraw/zinc/70/47/94/1379704794.db2.gz CLDIMNOTTQBJNY-SFHVURJKSA-N 2 0 331.504 3.028 20 0 EGADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CCCC2CCCC2)c1 ZINC001152236618 1379892459 /nfs/dbraw/zinc/89/24/59/1379892459.db2.gz DUUULXSHKPBETQ-UHFFFAOYSA-N 2 0 331.504 3.038 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2C[NH+](C)C)c1 ZINC001152384616 1379923702 /nfs/dbraw/zinc/92/37/02/1379923702.db2.gz USCIPWAVYJYTDV-QGZVFWFLSA-N 2 0 339.483 3.137 20 0 EGADRP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313474 1380054074 /nfs/dbraw/zinc/05/40/74/1380054074.db2.gz SFBMJYHXELFGKO-UYAOXDASSA-N 2 0 345.531 3.194 20 0 EGADRP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153818831 1380136240 /nfs/dbraw/zinc/13/62/40/1380136240.db2.gz CAKDFKHEWXUZFO-MJGOQNOKSA-N 2 0 337.552 3.266 20 0 EGADRP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990867 1380172677 /nfs/dbraw/zinc/17/26/77/1380172677.db2.gz VOILUBNUTCFJOR-GOSISDBHSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001154001701 1380174921 /nfs/dbraw/zinc/17/49/21/1380174921.db2.gz VCJHYPPBEPRJIR-SJLPKXTDSA-N 2 0 339.568 3.370 20 0 EGADRP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033698 1380187087 /nfs/dbraw/zinc/18/70/87/1380187087.db2.gz JTMJPXYDBJDDCQ-QUCCMNQESA-N 2 0 345.531 3.114 20 0 EGADRP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033640 1380187326 /nfs/dbraw/zinc/18/73/26/1380187326.db2.gz HQXGCWZYMSEQGG-IEBWSBKVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)c(C)c1 ZINC001154069937 1380198316 /nfs/dbraw/zinc/19/83/16/1380198316.db2.gz PLOOVZSDUFGKQI-GOSISDBHSA-N 2 0 347.547 3.360 20 0 EGADRP CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099958 1380207103 /nfs/dbraw/zinc/20/71/03/1380207103.db2.gz WAGFYVMFZKASIJ-JKSUJKDBSA-N 2 0 343.531 3.214 20 0 EGADRP CC[C@@H](F)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099527 1380207935 /nfs/dbraw/zinc/20/79/35/1380207935.db2.gz LDHHPMUVYLPWOU-HZPDHXFCSA-N 2 0 343.531 3.214 20 0 EGADRP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455626 1380281281 /nfs/dbraw/zinc/28/12/81/1380281281.db2.gz WPCHJNCUEPTGGG-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP C[NH+]1CCC(Oc2cc[nH+]c(NCc3nc4ccccc4o3)c2)CC1 ZINC001154656163 1380324877 /nfs/dbraw/zinc/32/48/77/1380324877.db2.gz OFVCHPONWJXZKD-UHFFFAOYSA-N 2 0 338.411 3.308 20 0 EGADRP CC[N@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154715740 1380338425 /nfs/dbraw/zinc/33/84/25/1380338425.db2.gz XHIJFYVANZBDPI-CHPDAQJUSA-N 2 0 337.552 3.124 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2cncc2C2CC[NH2+]CC2)nc1 ZINC001155062511 1380401076 /nfs/dbraw/zinc/40/10/76/1380401076.db2.gz DGJZZHQVJSAZAY-SFHVURJKSA-N 2 0 339.487 3.281 20 0 EGADRP CC[N@H+](CCCc1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085787 1380405860 /nfs/dbraw/zinc/40/58/60/1380405860.db2.gz SNOPXQSYBADQNN-UYAOXDASSA-N 2 0 347.547 3.032 20 0 EGADRP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227086 1380426739 /nfs/dbraw/zinc/42/67/39/1380426739.db2.gz UAJGEZBTQLGYTA-ZWKOTPCHSA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)([NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)CO1)c1ccnc(Cl)c1 ZINC001155391324 1380445229 /nfs/dbraw/zinc/44/52/29/1380445229.db2.gz YMHVCDYUVAGGNI-HNNXBMFYSA-N 2 0 337.895 3.109 20 0 EGADRP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993925 1380511542 /nfs/dbraw/zinc/51/15/42/1380511542.db2.gz AWGMPKGYQMVNHU-LJQANCHMSA-N 2 0 345.531 3.054 20 0 EGADRP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156306689 1380555155 /nfs/dbraw/zinc/55/51/55/1380555155.db2.gz VRHAIDIYVIQNAQ-MSOLQXFVSA-N 2 0 325.541 3.268 20 0 EGADRP CCOC(=O)c1c[nH]c2cc(NCC3CC[NH+](C(C)C)CC3)[nH+]cc21 ZINC001156501203 1380584591 /nfs/dbraw/zinc/58/45/91/1380584591.db2.gz FAVARVZELJMFHZ-UHFFFAOYSA-N 2 0 344.459 3.272 20 0 EGADRP CC(C)[NH+]1CCC(CNc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC001156502878 1380585328 /nfs/dbraw/zinc/58/53/28/1380585328.db2.gz ZQUSGCTZXJFDRN-UHFFFAOYSA-N 3 0 346.519 3.087 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CC1CC2(CCC2)C1 ZINC001156516959 1380587041 /nfs/dbraw/zinc/58/70/41/1380587041.db2.gz KEUOZOOLKUGABU-QGZVFWFLSA-N 2 0 337.552 3.125 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)CC1(C)C ZINC001328102520 1388673797 /nfs/dbraw/zinc/67/37/97/1388673797.db2.gz NNRGFWBMEUTCBE-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092310 1380773891 /nfs/dbraw/zinc/77/38/91/1380773891.db2.gz QXVFIDXWKBIUSF-QULHZPMSSA-N 2 0 337.552 3.435 20 0 EGADRP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1)CC(C)(C)C ZINC001158480612 1381260879 /nfs/dbraw/zinc/26/08/79/1381260879.db2.gz PBNPDMDOUTUCDH-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CC[C@H](F)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480750 1381262185 /nfs/dbraw/zinc/26/21/85/1381262185.db2.gz PSULJWKYMHKZKA-DLBZAZTESA-N 2 0 343.531 3.025 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C/C=C/Cl)[NH+](CC)CC ZINC001158491141 1381265773 /nfs/dbraw/zinc/26/57/73/1381265773.db2.gz LCNBRVMQCNTLDY-VNAXKEFJSA-N 2 0 343.943 3.172 20 0 EGADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)C)[NH+](CC)CC ZINC001158491548 1381265791 /nfs/dbraw/zinc/26/57/91/1381265791.db2.gz RZPDWEZFOLHPEX-MOPGFXCFSA-N 2 0 339.568 3.466 20 0 EGADRP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001158780648 1381396304 /nfs/dbraw/zinc/39/63/04/1381396304.db2.gz CGZVLGANIIUMFV-QULHZPMSSA-N 2 0 337.552 3.388 20 0 EGADRP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158865431 1381439389 /nfs/dbraw/zinc/43/93/89/1381439389.db2.gz ADGJHXNLQLTLAI-QZTJIDSGSA-N 2 0 337.552 3.077 20 0 EGADRP c1ccc2c(c1)CC[NH2+]C21CCN(c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001159020486 1381512015 /nfs/dbraw/zinc/51/20/15/1381512015.db2.gz WJIVHCTYMNQJSZ-UHFFFAOYSA-N 2 0 348.494 3.323 20 0 EGADRP Cc1cc(Nc2cccc(CN3CC[NH2+]CC3)c2)c2ccccc2[nH+]1 ZINC001159104733 1381587841 /nfs/dbraw/zinc/58/78/41/1381587841.db2.gz HUSNAKMNHQHWTN-UHFFFAOYSA-N 2 0 332.451 3.114 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001159327415 1381764594 /nfs/dbraw/zinc/76/45/94/1381764594.db2.gz JCZLBGHCJFTCHL-HXUWFJFHSA-N 2 0 345.531 3.082 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001159355368 1381774539 /nfs/dbraw/zinc/77/45/39/1381774539.db2.gz DNEHIIYPYMNKDR-IEBWSBKVSA-N 2 0 331.504 3.026 20 0 EGADRP CC[NH+](CC)CCOC(=O)c1ccc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001159583866 1381835411 /nfs/dbraw/zinc/83/54/11/1381835411.db2.gz CZISMYRYABJHNG-MSOLQXFVSA-N 2 0 343.471 3.005 20 0 EGADRP c1cc(C2CC[NH2+]CC2)ccc1NC1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001159600000 1381843297 /nfs/dbraw/zinc/84/32/97/1381843297.db2.gz BNYVLUGETTUFOK-NRFANRHFSA-N 2 0 341.499 3.334 20 0 EGADRP Cc1nc2scc(-c3cccs3)c2c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159786775 1381899576 /nfs/dbraw/zinc/89/95/76/1381899576.db2.gz JUVTWZJBOBMENK-LBPRGKRZSA-N 2 0 333.486 3.164 20 0 EGADRP [NH3+]CCOc1cccc(Nc2ccccc2OCC2CC[NH2+]CC2)c1 ZINC001160188261 1382028279 /nfs/dbraw/zinc/02/82/79/1382028279.db2.gz SJPLOCCIZUBFAU-UHFFFAOYSA-N 2 0 341.455 3.146 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160293433 1382064423 /nfs/dbraw/zinc/06/44/23/1382064423.db2.gz XDJKJMYZQYRSAB-UHFFFAOYSA-N 2 0 349.544 3.362 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353441 1382080584 /nfs/dbraw/zinc/08/05/84/1382080584.db2.gz VAKQQEZHJNHDSQ-HXUWFJFHSA-N 2 0 349.563 3.293 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001290312407 1382080753 /nfs/dbraw/zinc/08/07/53/1382080753.db2.gz KHEVDAFRCZULFH-DLBZAZTESA-N 2 0 349.544 3.123 20 0 EGADRP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359802 1382082043 /nfs/dbraw/zinc/08/20/43/1382082043.db2.gz BDCXBTLNNRAZKS-UHFFFAOYSA-N 2 0 335.536 3.045 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360290 1382082938 /nfs/dbraw/zinc/08/29/38/1382082938.db2.gz NJDHEDTWKIKOPA-QUCCMNQESA-N 2 0 349.563 3.434 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160400535 1382094829 /nfs/dbraw/zinc/09/48/29/1382094829.db2.gz UPFKFZCDUUNBQR-FQEVSTJZSA-N 2 0 347.547 3.189 20 0 EGADRP Cc1cccc2cc(Cl)nc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)c12 ZINC001160521261 1382130653 /nfs/dbraw/zinc/13/06/53/1382130653.db2.gz XIAYAYUDSWZHBV-GOSISDBHSA-N 2 0 330.863 3.032 20 0 EGADRP CCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001328509048 1388767489 /nfs/dbraw/zinc/76/74/89/1388767489.db2.gz CNBKDUFYDJODBO-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870266 1382219683 /nfs/dbraw/zinc/21/96/83/1382219683.db2.gz WVHDZNMQJLEWEX-MOPGFXCFSA-N 2 0 347.547 3.070 20 0 EGADRP [NH3+]CCc1cn(-c2csc3ncnc(Cl)c23)c2cc[nH+]cc12 ZINC001160945782 1382246758 /nfs/dbraw/zinc/24/67/58/1382246758.db2.gz MAZJPBDFMSANJB-UHFFFAOYSA-N 2 0 329.816 3.185 20 0 EGADRP [NH3+]CCc1cn(-c2nc(Cl)nc3c2CCCCC3)c2cc[nH+]cc12 ZINC001160945836 1382247187 /nfs/dbraw/zinc/24/71/87/1382247187.db2.gz OFWUKSZKASYZPN-UHFFFAOYSA-N 2 0 341.846 3.239 20 0 EGADRP CC[C@H](C)c1nc2[nH]ccc2c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160952308 1382248692 /nfs/dbraw/zinc/24/86/92/1382248692.db2.gz TWYZTZWUUSMQSS-LBPRGKRZSA-N 2 0 334.427 3.312 20 0 EGADRP [NH3+]CCc1cn(-c2nc(C3CCC3)nc3[nH]ccc32)c2cc[nH+]cc12 ZINC001160952346 1382248765 /nfs/dbraw/zinc/24/87/65/1382248765.db2.gz WHXXDBRKGIXUEA-UHFFFAOYSA-N 2 0 332.411 3.066 20 0 EGADRP Cc1cc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc(-c2cccs2)n1 ZINC001160951913 1382248994 /nfs/dbraw/zinc/24/89/94/1382248994.db2.gz OSPFOUIZPLVWLO-UHFFFAOYSA-N 2 0 335.436 3.354 20 0 EGADRP O=C(NCCC[NH2+]Cc1ccccc1Cl)c1cc2c[nH]ccc-2n1 ZINC001160990233 1382263846 /nfs/dbraw/zinc/26/38/46/1382263846.db2.gz FKIROYXHADZAIG-UHFFFAOYSA-N 2 0 342.830 3.126 20 0 EGADRP CCC(CC)[NH+]1CCC(Nc2nc(N3CCCC3)cc(C)[nH+]2)CC1 ZINC001161095509 1382295098 /nfs/dbraw/zinc/29/50/98/1382295098.db2.gz ZZRPXPUECXRUAF-UHFFFAOYSA-N 2 0 331.508 3.450 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cccc2c1O[C@H](C)C2 ZINC001293591212 1382309856 /nfs/dbraw/zinc/30/98/56/1382309856.db2.gz PYBMMENDVUONMO-GFCCVEGCSA-N 2 0 334.379 3.151 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1)[NH+](C)C ZINC001161140352 1382315513 /nfs/dbraw/zinc/31/55/13/1382315513.db2.gz JVJBPKGVJDKAMG-HXUWFJFHSA-N 2 0 347.547 3.211 20 0 EGADRP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161208053 1382342144 /nfs/dbraw/zinc/34/21/44/1382342144.db2.gz YXHCHXXBQYYNSM-MOPGFXCFSA-N 2 0 349.563 3.291 20 0 EGADRP CC(C)(C)CN(C(=O)C1(CC2CCC2)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001161261783 1382356025 /nfs/dbraw/zinc/35/60/25/1382356025.db2.gz KIDMICJQZXWBAA-UHFFFAOYSA-N 2 0 349.563 3.173 20 0 EGADRP CCCC[N@H+](CC)[C@H](C(=O)N(C(C)C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001161353339 1382379749 /nfs/dbraw/zinc/37/97/49/1382379749.db2.gz OEDOVSXRLRFAPC-PMACEKPBSA-N 2 0 345.531 3.449 20 0 EGADRP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391061 1382396184 /nfs/dbraw/zinc/39/61/84/1382396184.db2.gz OHGDXZFQSVPGBV-QUCCMNQESA-N 2 0 349.563 3.434 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161505018 1382425474 /nfs/dbraw/zinc/42/54/74/1382425474.db2.gz YGUXVUAMTIOIMH-SFHVURJKSA-N 2 0 337.552 3.149 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCC1=CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001161650243 1382470172 /nfs/dbraw/zinc/47/01/72/1382470172.db2.gz CCZPHWXMWMKORV-SFHVURJKSA-N 2 0 343.515 3.228 20 0 EGADRP CC(C)[N@H+]1CC=C(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688065 1382481043 /nfs/dbraw/zinc/48/10/43/1382481043.db2.gz FQBPVELBEIGBAK-OAQYLSRUSA-N 2 0 343.515 3.010 20 0 EGADRP CCCCC[N@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161722637 1382489127 /nfs/dbraw/zinc/48/91/27/1382489127.db2.gz AZOXWSZGHBFZMP-UHFFFAOYSA-N 2 0 344.503 3.090 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161755056 1382495497 /nfs/dbraw/zinc/49/54/97/1382495497.db2.gz JNCPIPSOIVQDQP-UHFFFAOYSA-N 2 0 337.552 3.293 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001161795427 1382508504 /nfs/dbraw/zinc/50/85/04/1382508504.db2.gz HDCPMDRRKFZYMB-UHFFFAOYSA-N 2 0 335.536 3.071 20 0 EGADRP O=C(C[NH+]1CCCC1)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001161878856 1382537326 /nfs/dbraw/zinc/53/73/26/1382537326.db2.gz CPVSTWCSVPRTEZ-UHFFFAOYSA-N 2 0 347.547 3.191 20 0 EGADRP CCCC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161898954 1382544390 /nfs/dbraw/zinc/54/43/90/1382544390.db2.gz HZSUUSUDBVWOBU-UHFFFAOYSA-N 2 0 335.536 3.191 20 0 EGADRP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953003 1382569049 /nfs/dbraw/zinc/56/90/49/1382569049.db2.gz OJCBKUVUHUKYNJ-HXUWFJFHSA-N 2 0 347.547 3.211 20 0 EGADRP C[NH+](C)Cc1ccc(Br)c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162404310 1382748613 /nfs/dbraw/zinc/74/86/13/1382748613.db2.gz KJBOSLMRYWLUBD-STQMWFEESA-N 2 0 326.282 3.193 20 0 EGADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(Br)cc2c[nH+]cn21 ZINC001162470773 1382767262 /nfs/dbraw/zinc/76/72/62/1382767262.db2.gz MBUKNCRYKAKMLH-VXGBXAGGSA-N 2 0 337.265 3.144 20 0 EGADRP COc1ccc2[nH+]c(C)cc(NCc3ccc4c(c3)CC[NH2+]C4)c2c1 ZINC001162809880 1382880770 /nfs/dbraw/zinc/88/07/70/1382880770.db2.gz KRYCPFQVKLVUOY-UHFFFAOYSA-N 2 0 333.435 3.232 20 0 EGADRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncnc3sc4c(c32)CC[NH2+]C4)c1 ZINC001162898804 1382909461 /nfs/dbraw/zinc/90/94/61/1382909461.db2.gz HXWBQFZZXJZDTL-LLVKDONJSA-N 2 0 349.463 3.301 20 0 EGADRP COCC[N@H+](C)Cc1ccnc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1 ZINC001162902585 1382910114 /nfs/dbraw/zinc/91/01/14/1382910114.db2.gz JMLJUVSTVUVFID-OAHLLOKOSA-N 2 0 338.455 3.123 20 0 EGADRP CC[N@H+]1CC=C(c2cnc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c(C)c2)CC1 ZINC001162983367 1382937382 /nfs/dbraw/zinc/93/73/82/1382937382.db2.gz DQEMLXPIWZCYSV-AZUAARDMSA-N 2 0 326.488 3.196 20 0 EGADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163095076 1382963329 /nfs/dbraw/zinc/96/33/29/1382963329.db2.gz FHXWVBLGQNMDOW-LJQANCHMSA-N 2 0 343.515 3.161 20 0 EGADRP Cc1ccccc1C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163241531 1383003528 /nfs/dbraw/zinc/00/35/28/1383003528.db2.gz BFWSALZEMOGYQV-UHFFFAOYSA-N 2 0 345.531 3.103 20 0 EGADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001163243352 1383003637 /nfs/dbraw/zinc/00/36/37/1383003637.db2.gz XICHIJUOVUBLNN-UHFFFAOYSA-N 2 0 349.563 3.175 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001163290446 1383013409 /nfs/dbraw/zinc/01/34/09/1383013409.db2.gz HKZMMKIGWWVJEE-IBGZPJMESA-N 2 0 345.531 3.498 20 0 EGADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC001163822215 1383125824 /nfs/dbraw/zinc/12/58/24/1383125824.db2.gz VSBNBKIAEQAFQK-IBGZPJMESA-N 2 0 349.563 3.317 20 0 EGADRP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001163851849 1383129525 /nfs/dbraw/zinc/12/95/25/1383129525.db2.gz UTCWDCVNHCWABQ-ROUUACIJSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1cnc(N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(C[NH3+])c1 ZINC001164202944 1383165711 /nfs/dbraw/zinc/16/57/11/1383165711.db2.gz GYKOAEVGKILUDY-UHFFFAOYSA-N 2 0 347.466 3.032 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001164449335 1383187954 /nfs/dbraw/zinc/18/79/54/1383187954.db2.gz IARKXUYAMMKWJA-RBUKOAKNSA-N 2 0 345.531 3.274 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001164455485 1383188435 /nfs/dbraw/zinc/18/84/35/1383188435.db2.gz CAABEDLDUWQCHV-IBGZPJMESA-N 2 0 349.563 3.175 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](CC)c2ccccc2)C1 ZINC001164456770 1383188822 /nfs/dbraw/zinc/18/88/22/1383188822.db2.gz ZEJPRFBTZHSAHU-VQTJNVASSA-N 2 0 345.531 3.356 20 0 EGADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001164577873 1383201094 /nfs/dbraw/zinc/20/10/94/1383201094.db2.gz VXPDAFORTVIHKT-FHWLQOOXSA-N 2 0 345.531 3.191 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001328749638 1388840580 /nfs/dbraw/zinc/84/05/80/1388840580.db2.gz NNYHKXCFGVMXAR-IBGZPJMESA-N 2 0 337.552 3.364 20 0 EGADRP C[C@@H]([NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1)c1ccccc1 ZINC001165464490 1383298611 /nfs/dbraw/zinc/29/86/11/1383298611.db2.gz FHFHMHMDAKHSFR-QGZVFWFLSA-N 2 0 343.515 3.108 20 0 EGADRP Nc1[nH+]ccn1Cc1ccccc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165469876 1383299216 /nfs/dbraw/zinc/29/92/16/1383299216.db2.gz UBXPMZJNTPLTAK-UHFFFAOYSA-N 2 0 347.466 3.058 20 0 EGADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1)C1CCC1 ZINC001165492081 1383302235 /nfs/dbraw/zinc/30/22/35/1383302235.db2.gz IUAHJPKIGGZQBY-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001297963740 1383311257 /nfs/dbraw/zinc/31/12/57/1383311257.db2.gz VXWIFIBNGMQZIB-IEBWSBKVSA-N 2 0 331.504 3.012 20 0 EGADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165568247 1383311359 /nfs/dbraw/zinc/31/13/59/1383311359.db2.gz GMHXHFABNKYQOX-GOSISDBHSA-N 2 0 349.563 3.173 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165711951 1383330727 /nfs/dbraw/zinc/33/07/27/1383330727.db2.gz YJLVQTZWFROGFB-ARJAWSKDSA-N 2 0 347.547 3.095 20 0 EGADRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2cc(C)cc(C)c2)CC1)[NH+](C)C ZINC001165718612 1383331156 /nfs/dbraw/zinc/33/11/56/1383331156.db2.gz MYBGWYKAOPAKED-LJQANCHMSA-N 2 0 345.531 3.020 20 0 EGADRP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926798 1383366097 /nfs/dbraw/zinc/36/60/97/1383366097.db2.gz DOHKOBIMYAAAGQ-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1)[NH+](CC)CC ZINC001166433009 1383422223 /nfs/dbraw/zinc/42/22/23/1383422223.db2.gz USDJXDMRTMIXEO-QGZVFWFLSA-N 2 0 339.911 3.056 20 0 EGADRP CC[C@@H](C(=O)NCCC[NH2+]CCCC1CCCC1)[NH+](CC)CC ZINC001166439181 1383422447 /nfs/dbraw/zinc/42/24/47/1383422447.db2.gz CSTNADIXSRIEKE-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)[NH+](CC)CC ZINC001166447652 1383423753 /nfs/dbraw/zinc/42/37/53/1383423753.db2.gz MSLCVHXWUJFXFD-GOSISDBHSA-N 2 0 337.552 3.173 20 0 EGADRP CN(Cc1cccc2cccnc21)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001166688477 1383461276 /nfs/dbraw/zinc/46/12/76/1383461276.db2.gz YQVGTVBQORPNBR-UHFFFAOYSA-N 2 0 347.466 3.194 20 0 EGADRP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793405 1383478389 /nfs/dbraw/zinc/47/83/89/1383478389.db2.gz MNYCQCLOYSRYLB-SFFCAUCYSA-N 2 0 349.563 3.341 20 0 EGADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)[NH+](CC)CC ZINC001167180369 1383560325 /nfs/dbraw/zinc/56/03/25/1383560325.db2.gz ZBAJQONNOZKMOR-SFHVURJKSA-N 2 0 337.552 3.173 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001167232788 1383570909 /nfs/dbraw/zinc/57/09/09/1383570909.db2.gz PZZAAUNVOJIXIP-SFHVURJKSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001167232787 1383571350 /nfs/dbraw/zinc/57/13/50/1383571350.db2.gz PZZAAUNVOJIXIP-GOSISDBHSA-N 2 0 349.563 3.175 20 0 EGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001167308221 1383591639 /nfs/dbraw/zinc/59/16/39/1383591639.db2.gz JWKXSIINHXPRRA-OAHLLOKOSA-N 2 0 335.455 3.254 20 0 EGADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167480621 1383646543 /nfs/dbraw/zinc/64/65/43/1383646543.db2.gz NRTRMBMFXOTHSQ-UHFFFAOYSA-N 2 0 335.536 3.095 20 0 EGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cc(F)ccc2C)C1 ZINC001167511927 1383655410 /nfs/dbraw/zinc/65/54/10/1383655410.db2.gz DIKLNUVXOGVMBF-MRXNPFEDSA-N 2 0 335.467 3.126 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167627009 1383692832 /nfs/dbraw/zinc/69/28/32/1383692832.db2.gz ISCMVFWSDYEOLR-QZTJIDSGSA-N 2 0 325.541 3.027 20 0 EGADRP CC(C)c1ccccc1C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167668122 1383705739 /nfs/dbraw/zinc/70/57/39/1383705739.db2.gz QGQGVQFDQGOZQB-UHFFFAOYSA-N 2 0 345.531 3.138 20 0 EGADRP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167694884 1383713601 /nfs/dbraw/zinc/71/36/01/1383713601.db2.gz ZBGBZRQTVZPVRF-KRWDZBQOSA-N 2 0 349.563 3.031 20 0 EGADRP COC(=O)c1c[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)c2ccn(C)c21 ZINC001167751125 1383729762 /nfs/dbraw/zinc/72/97/62/1383729762.db2.gz ICRWLXHTVXUCHP-CQSZACIVSA-N 2 0 344.459 3.036 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC001167827225 1383751088 /nfs/dbraw/zinc/75/10/88/1383751088.db2.gz UYSADJSJLBIPFU-SFHVURJKSA-N 2 0 337.552 3.221 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2nccc3occc32)CC1 ZINC001167827228 1383751148 /nfs/dbraw/zinc/75/11/48/1383751148.db2.gz VCGSRVIZJMKZTA-KRWDZBQOSA-N 2 0 344.503 3.460 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001167834157 1383753178 /nfs/dbraw/zinc/75/31/78/1383753178.db2.gz IJHVWOBDFLHHQA-BBWFWOEESA-N 2 0 341.540 3.484 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2cc(Cl)ccn2)CC1 ZINC001167838227 1383756007 /nfs/dbraw/zinc/75/60/07/1383756007.db2.gz SGPPCCYNGLFCLZ-INIZCTEOSA-N 2 0 338.927 3.368 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001167838744 1383756049 /nfs/dbraw/zinc/75/60/49/1383756049.db2.gz WKDSNWBBKFYHJF-IBGZPJMESA-N 2 0 332.536 3.413 20 0 EGADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC001167842822 1383757491 /nfs/dbraw/zinc/75/74/91/1383757491.db2.gz ZALUNOLNRHFJEL-KRWDZBQOSA-N 2 0 325.541 3.077 20 0 EGADRP O[C@@H]1c2ccccc2CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969040 1383782143 /nfs/dbraw/zinc/78/21/43/1383782143.db2.gz YUDPVSCBIWNJRM-ACLUHKAVSA-N 2 0 326.484 3.030 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167970412 1383782436 /nfs/dbraw/zinc/78/24/36/1383782436.db2.gz KIAHRUPOCPWYDD-NTAHMENRSA-N 2 0 348.531 3.493 20 0 EGADRP C[NH+](C)CCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981610 1383787011 /nfs/dbraw/zinc/78/70/11/1383787011.db2.gz BNMDTVSOWMFSPX-CBQGHPETSA-N 2 0 341.543 3.456 20 0 EGADRP Cc1c(CC[NH3+])c(=O)[nH]n1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168018796 1383798408 /nfs/dbraw/zinc/79/84/08/1383798408.db2.gz DSKVFJLTKZAHRZ-GJZGRUSLSA-N 2 0 342.487 3.012 20 0 EGADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168023895 1383799405 /nfs/dbraw/zinc/79/94/05/1383799405.db2.gz YWWALAGSJGRYET-LWASTNQWSA-N 2 0 344.499 3.359 20 0 EGADRP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030577 1383800104 /nfs/dbraw/zinc/80/01/04/1383800104.db2.gz QGJQCICWMLNKJF-MOPGFXCFSA-N 2 0 335.536 3.070 20 0 EGADRP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168028903 1383800517 /nfs/dbraw/zinc/80/05/17/1383800517.db2.gz AEARBTIXFVGXKV-OALUTQOASA-N 2 0 335.536 3.070 20 0 EGADRP C[C@@H]1C[C@@H]([NH+](C)CCC2OCCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065880 1383808603 /nfs/dbraw/zinc/80/86/03/1383808603.db2.gz YSJWLVOCZDLHGW-IZZQQSIFSA-N 2 0 332.488 3.123 20 0 EGADRP COc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001168278012 1383861328 /nfs/dbraw/zinc/86/13/28/1383861328.db2.gz ASAYOONMKKIDGI-YPAWHYETSA-N 2 0 348.490 3.226 20 0 EGADRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3ccccc3F)CC2)CC1 ZINC001168295004 1383866015 /nfs/dbraw/zinc/86/60/15/1383866015.db2.gz OEQYYEOTBOZHGA-UHFFFAOYSA-N 2 0 333.495 3.253 20 0 EGADRP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168299848 1383867495 /nfs/dbraw/zinc/86/74/95/1383867495.db2.gz NXKDZCXKNTWFSZ-ABHNRTSZSA-N 2 0 325.541 3.026 20 0 EGADRP C[NH+](C)C1CCC([N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001168329539 1383874160 /nfs/dbraw/zinc/87/41/60/1383874160.db2.gz XCZFRBVIGSYTBB-CPAJTMIGSA-N 2 0 342.483 3.201 20 0 EGADRP CC[N@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCC([NH+](C)C)CC1 ZINC001168327359 1383874166 /nfs/dbraw/zinc/87/41/66/1383874166.db2.gz KSNQAMUCLSUVBG-CBNMVNINSA-N 2 0 329.532 3.456 20 0 EGADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001168335791 1383876914 /nfs/dbraw/zinc/87/69/14/1383876914.db2.gz UDLUQBCJHMHPSQ-LJQANCHMSA-N 2 0 349.563 3.173 20 0 EGADRP COc1ccccc1CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365158 1383884234 /nfs/dbraw/zinc/88/42/34/1383884234.db2.gz MWPZFMIQTWRCSU-UHFFFAOYSA-N 2 0 328.500 3.482 20 0 EGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168390325 1383893827 /nfs/dbraw/zinc/89/38/27/1383893827.db2.gz GUWLBATVCAVWKS-SFHVURJKSA-N 2 0 327.516 3.067 20 0 EGADRP Fc1ccc2c(c1)CC[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001168416345 1383901162 /nfs/dbraw/zinc/90/11/62/1383901162.db2.gz XENRVKFBWURATQ-FQEVSTJZSA-N 2 0 346.490 3.164 20 0 EGADRP Nc1[nH+]ccn1Cc1ccccc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168550060 1383934586 /nfs/dbraw/zinc/93/45/86/1383934586.db2.gz XMWBFDKMHWYOHN-HNNXBMFYSA-N 2 0 333.439 3.098 20 0 EGADRP COc1ccc([C@H]2C[C@@H]([NH2+]CCC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168575535 1383940370 /nfs/dbraw/zinc/94/03/70/1383940370.db2.gz HFEPVBOTWGIGFA-AZUAARDMSA-N 2 0 332.488 3.237 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001168606580 1383947080 /nfs/dbraw/zinc/94/70/80/1383947080.db2.gz IHQUPLRJVFJSLO-UHFFFAOYSA-N 2 0 337.552 3.175 20 0 EGADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001168614237 1383949149 /nfs/dbraw/zinc/94/91/49/1383949149.db2.gz FHCCARAVBFZFSJ-GOSISDBHSA-N 2 0 333.520 3.356 20 0 EGADRP COc1ccc2[nH+]c(C)cc(-n3cnc(C)c3CSCC[NH3+])c2c1 ZINC001168790832 1384006506 /nfs/dbraw/zinc/00/65/06/1384006506.db2.gz VUOQDFKGRTXODT-UHFFFAOYSA-N 2 0 342.468 3.238 20 0 EGADRP C[C@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CN1C(=O)OC(C)(C)C ZINC001168805394 1384012900 /nfs/dbraw/zinc/01/29/00/1384012900.db2.gz HBZKPAYETVSZBC-RDJZCZTQSA-N 2 0 339.524 3.368 20 0 EGADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168825384 1384021709 /nfs/dbraw/zinc/02/17/09/1384021709.db2.gz SHTHMTPZIYRDBJ-DOTOQJQBSA-N 2 0 339.524 3.094 20 0 EGADRP CC(C)C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC001169108695 1384108183 /nfs/dbraw/zinc/10/81/83/1384108183.db2.gz VPYBDEAPGDXIDB-VQHPVUNQSA-N 2 0 339.524 3.141 20 0 EGADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169118556 1384109586 /nfs/dbraw/zinc/10/95/86/1384109586.db2.gz KBMKAUWCTWVNLI-OWZKRDHZSA-N 2 0 327.516 3.256 20 0 EGADRP CC1(C)C[C@@H](Nc2ccc(CN3CC[NH2+]CC3)cc2)C[C@](C)(C[NH3+])C1 ZINC001169141153 1384113132 /nfs/dbraw/zinc/11/31/32/1384113132.db2.gz AOXVQBDOVAZBMC-CTNGQTDRSA-N 2 0 344.547 3.047 20 0 EGADRP CC1(C)C[C@@H](Nc2cccc(N3CC[NH2+]CC3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151930 1384115603 /nfs/dbraw/zinc/11/56/03/1384115603.db2.gz NNLFVKHZNMGLLA-YLJYHZDGSA-N 2 0 330.520 3.052 20 0 EGADRP CCOC(=O)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160358 1384117725 /nfs/dbraw/zinc/11/77/25/1384117725.db2.gz DALGDNRWYVAZFK-ACDBMABISA-N 2 0 344.499 3.457 20 0 EGADRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cccc2c1C[NH2+]CC2 ZINC001169178902 1384119579 /nfs/dbraw/zinc/11/95/79/1384119579.db2.gz DKRAYOUYOHBGPM-UHFFFAOYSA-N 2 0 335.451 3.094 20 0 EGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC001308365123 1384121995 /nfs/dbraw/zinc/12/19/95/1384121995.db2.gz CAWBSVUCRNRBNO-QUCCMNQESA-N 2 0 329.532 3.219 20 0 EGADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169280872 1384131649 /nfs/dbraw/zinc/13/16/49/1384131649.db2.gz ZJOQLGHNISFHHB-UHFFFAOYSA-N 2 0 332.488 3.332 20 0 EGADRP CC[NH+]1CCC(C[NH2+]C[C@H](OC(C)C)c2ccccc2OC)CC1 ZINC001308709657 1384143575 /nfs/dbraw/zinc/14/35/75/1384143575.db2.gz PTMIRRLXQUABFA-FQEVSTJZSA-N 2 0 334.504 3.483 20 0 EGADRP CC[NH+]1CCC(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)CC1 ZINC001308709144 1384143666 /nfs/dbraw/zinc/14/36/66/1384143666.db2.gz KJLNERBGUQVQBM-LJQANCHMSA-N 2 0 336.907 3.363 20 0 EGADRP CC[N@H+](CCC[NH+](C)C)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308745333 1384146952 /nfs/dbraw/zinc/14/69/52/1384146952.db2.gz VLZHNDSMFGHTTA-IBGZPJMESA-N 2 0 341.540 3.297 20 0 EGADRP CC[NH+](CC)Cc1cc(NCC23CC[NH+](CC2)CC3)ccc1OC ZINC001169800298 1384187342 /nfs/dbraw/zinc/18/73/42/1384187342.db2.gz UHKVQMWDEITOCD-UHFFFAOYSA-N 2 0 331.504 3.435 20 0 EGADRP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169810064 1384187590 /nfs/dbraw/zinc/18/75/90/1384187590.db2.gz NYQAFPYQBMGELP-XLIONFOSSA-N 2 0 345.531 3.108 20 0 EGADRP C([NH2+][C@@H]1CCCC2(C1)OCCO2)C1CC[NH+](C2CCCCC2)CC1 ZINC001169909861 1384197458 /nfs/dbraw/zinc/19/74/58/1384197458.db2.gz MXYAYNXRIAIRHC-GOSISDBHSA-N 2 0 336.520 3.306 20 0 EGADRP Cc1cccnc1N(C1CC[NH2+]CC1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170012895 1384218447 /nfs/dbraw/zinc/21/84/47/1384218447.db2.gz YLVBLVWZHASGLB-UHFFFAOYSA-N 2 0 346.519 3.359 20 0 EGADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001170431240 1384316848 /nfs/dbraw/zinc/31/68/48/1384316848.db2.gz IOLZPPGHMHUBMC-NXYGQSRBSA-N 2 0 332.488 3.446 20 0 EGADRP CC[C@@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476315 1384326902 /nfs/dbraw/zinc/32/69/02/1384326902.db2.gz WMEBUCBACIEFPQ-WQZDSJPGSA-N 2 0 325.497 3.022 20 0 EGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3C[C@@H]4[C@H](C3)C4(C)C)cc2)CC1 ZINC001170724478 1384374080 /nfs/dbraw/zinc/37/40/80/1384374080.db2.gz KNMRAFZXQLFKFC-WKCHPHFGSA-N 2 0 341.543 3.348 20 0 EGADRP C[NH+](C)Cc1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc1 ZINC001170753501 1384379347 /nfs/dbraw/zinc/37/93/47/1384379347.db2.gz KBSBVKRSWNBXPZ-FQEVSTJZSA-N 2 0 338.499 3.262 20 0 EGADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001170784186 1384384549 /nfs/dbraw/zinc/38/45/49/1384384549.db2.gz GETCROSSEQPQQO-IBGZPJMESA-N 2 0 337.552 3.317 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170820750 1384391495 /nfs/dbraw/zinc/39/14/95/1384391495.db2.gz VUCBLADZGDTWKF-WIYYLYMNSA-N 2 0 347.547 3.242 20 0 EGADRP C[NH+](C)[C@](C)(C(=O)NCCC[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001170819642 1384391659 /nfs/dbraw/zinc/39/16/59/1384391659.db2.gz NARKJPADYXVNHF-NRFANRHFSA-N 2 0 343.515 3.060 20 0 EGADRP C[NH+](C)[C@@](C)(C(=O)NCCC[NH2+]CCCC(C)(C)C)c1ccccc1 ZINC001170821334 1384392076 /nfs/dbraw/zinc/39/20/76/1384392076.db2.gz YGSCRLMPAWGECP-OAQYLSRUSA-N 2 0 347.547 3.386 20 0 EGADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1N[C@@]([NH3+])(CC)CO ZINC001170865008 1384400784 /nfs/dbraw/zinc/40/07/84/1384400784.db2.gz CHKSOFXPGYEVRF-HNNXBMFYSA-N 2 0 333.398 3.016 20 0 EGADRP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170870825 1384401839 /nfs/dbraw/zinc/40/18/39/1384401839.db2.gz KAOIIUAIXVAYRC-YBXURTSQSA-N 2 0 337.552 3.338 20 0 EGADRP Fc1cccc2c1C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001170972861 1384421156 /nfs/dbraw/zinc/42/11/56/1384421156.db2.gz RQUUOPVLEABFPF-KRWDZBQOSA-N 2 0 325.431 3.337 20 0 EGADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cnc(C[NH3+])nc3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001171029697 1384432908 /nfs/dbraw/zinc/43/29/08/1384432908.db2.gz JFOYWWZRFAKFBW-GZXFCSGKSA-N 2 0 345.535 3.306 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171120973 1384449840 /nfs/dbraw/zinc/44/98/40/1384449840.db2.gz QLVKOUKRYPYMHB-ICSRJNTNSA-N 2 0 345.531 3.326 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC001171173626 1384460823 /nfs/dbraw/zinc/46/08/23/1384460823.db2.gz CUQFNCYUOYJBTH-UXHICEINSA-N 2 0 345.531 3.020 20 0 EGADRP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001316607022 1384475783 /nfs/dbraw/zinc/47/57/83/1384475783.db2.gz YUOGQIUQTYYIDU-ICSRJNTNSA-N 2 0 345.531 3.183 20 0 EGADRP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171236575 1384476722 /nfs/dbraw/zinc/47/67/22/1384476722.db2.gz NRVNVUSDARWSJW-MSOLQXFVSA-N 2 0 325.541 3.029 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238924 1384476934 /nfs/dbraw/zinc/47/69/34/1384476934.db2.gz ZUKKASHXRASPQI-QGZVFWFLSA-N 2 0 349.563 3.316 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001171246022 1384477696 /nfs/dbraw/zinc/47/76/96/1384477696.db2.gz DDVXUBDRITUSBO-YLJYHZDGSA-N 2 0 345.531 3.100 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001171255038 1384479775 /nfs/dbraw/zinc/47/97/75/1384479775.db2.gz YONJLJQFRAUDOX-INIZCTEOSA-N 2 0 337.552 3.172 20 0 EGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001316624788 1384489988 /nfs/dbraw/zinc/48/99/88/1384489988.db2.gz OJXVOZGFAXAQRL-OKYOBFRVSA-N 2 0 337.552 3.027 20 0 EGADRP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC(C[NH+](C)C)CC1)CC2 ZINC001171321746 1384494723 /nfs/dbraw/zinc/49/47/23/1384494723.db2.gz OXGGYRXBXMMGKZ-HNNXBMFYSA-N 2 0 336.907 3.480 20 0 EGADRP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330312 1384496059 /nfs/dbraw/zinc/49/60/59/1384496059.db2.gz SNELGAPURSMYPZ-ZWKOTPCHSA-N 2 0 325.541 3.316 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1)[NH+](C)C ZINC001171359245 1384501638 /nfs/dbraw/zinc/50/16/38/1384501638.db2.gz OTADFRGXIZAHTG-ICSRJNTNSA-N 2 0 347.547 3.080 20 0 EGADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001171509517 1384546391 /nfs/dbraw/zinc/54/63/91/1384546391.db2.gz RBDRKPUHGFHLAX-FUHWJXTLSA-N 2 0 325.541 3.172 20 0 EGADRP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001171538792 1384556165 /nfs/dbraw/zinc/55/61/65/1384556165.db2.gz ONCOEDUNWCMJTK-UYAOXDASSA-N 2 0 345.531 3.244 20 0 EGADRP Cc1cccc2c1CC[C@@H]([NH+]1CCC([N@H+](C)C3CCOCC3)CC1)C2 ZINC001171575372 1384568090 /nfs/dbraw/zinc/56/80/90/1384568090.db2.gz VODSHQMZHBYZFG-OAQYLSRUSA-N 2 0 342.527 3.428 20 0 EGADRP COC(=O)c1cccc2c1CN(C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171639267 1384588627 /nfs/dbraw/zinc/58/86/27/1384588627.db2.gz CAIXYUJDLGPWFS-UHFFFAOYSA-N 2 0 330.472 3.440 20 0 EGADRP Cc1cnc(O[C@H]2CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)nc1 ZINC001171640588 1384590056 /nfs/dbraw/zinc/59/00/56/1384590056.db2.gz GRPWDYBIACFAFC-KRWDZBQOSA-N 2 0 346.519 3.280 20 0 EGADRP C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001171668807 1384596180 /nfs/dbraw/zinc/59/61/80/1384596180.db2.gz MBAJGTMRUXOMJQ-INIZCTEOSA-N 2 0 349.544 3.141 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683613 1384601767 /nfs/dbraw/zinc/60/17/67/1384601767.db2.gz NFTHXQOJJLCKRA-OAHLLOKOSA-N 2 0 328.460 3.013 20 0 EGADRP CC(C)[PH+](CC[NH2+][C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)C(C)C ZINC001171699697 1384606619 /nfs/dbraw/zinc/60/66/19/1384606619.db2.gz VJNCYJWKUQTDGA-CQSZACIVSA-N 2 0 344.436 3.411 20 0 EGADRP C[C@H]1C[C@H](N2CCC([NH3+])(CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171738233 1384621027 /nfs/dbraw/zinc/62/10/27/1384621027.db2.gz HZWYOIHGPYDNKL-PXNSSMCTSA-N 2 0 327.516 3.243 20 0 EGADRP COc1ccc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1C[NH3+] ZINC001171740311 1384622324 /nfs/dbraw/zinc/62/23/24/1384622324.db2.gz JAKMRDKTKKHSCZ-DNVCBOLYSA-N 2 0 325.456 3.229 20 0 EGADRP C[C@H]1C[C@@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C[N@@H+]1Cc1ccccc1 ZINC001171747542 1384624426 /nfs/dbraw/zinc/62/44/26/1384624426.db2.gz BPJQLHVFCYYCAH-GHTZIAJQSA-N 2 0 339.527 3.067 20 0 EGADRP C[NH2+]CCc1c(C)nn([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC001171759843 1384627628 /nfs/dbraw/zinc/62/76/28/1384627628.db2.gz NPXUPOABXRALOJ-BEFAXECRSA-N 2 0 326.488 3.097 20 0 EGADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001171763187 1384628927 /nfs/dbraw/zinc/62/89/27/1384628927.db2.gz UWBFRYYPISISMU-QGZVFWFLSA-N 2 0 333.520 3.309 20 0 EGADRP Cc1c[nH+]ccc1N([C@H]1Cc2cccc(F)c2C1)C1CC[NH2+]CC1 ZINC001171812140 1384646694 /nfs/dbraw/zinc/64/66/94/1384646694.db2.gz LHEDDZJXDBHCOW-KRWDZBQOSA-N 2 0 325.431 3.255 20 0 EGADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171865782 1384665203 /nfs/dbraw/zinc/66/52/03/1384665203.db2.gz GUVOHUWISXNIQQ-HXUWFJFHSA-N 2 0 345.531 3.393 20 0 EGADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171865490 1384665334 /nfs/dbraw/zinc/66/53/34/1384665334.db2.gz CNFFEGFVFQUKRE-LJQANCHMSA-N 2 0 343.515 3.145 20 0 EGADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171870790 1384666524 /nfs/dbraw/zinc/66/65/24/1384666524.db2.gz UWZOLNIAPVTVTC-QUCCMNQESA-N 2 0 343.515 3.003 20 0 EGADRP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171873293 1384667259 /nfs/dbraw/zinc/66/72/59/1384667259.db2.gz LPCPWLUMBOKKSH-SFHVURJKSA-N 2 0 331.504 3.001 20 0 EGADRP CC1(C)C[C@H]([NH2+]CCOc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171983545 1384704398 /nfs/dbraw/zinc/70/43/98/1384704398.db2.gz PCNCTSJNMOYAHW-LJQANCHMSA-N 2 0 339.483 3.493 20 0 EGADRP COC(=O)C[C@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987694 1384704949 /nfs/dbraw/zinc/70/49/49/1384704949.db2.gz ZYUXZLREHNJFEU-RTBURBONSA-N 2 0 344.499 3.315 20 0 EGADRP CCc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316934993 1384706293 /nfs/dbraw/zinc/70/62/93/1384706293.db2.gz AHYGFQFEJKZOAT-HXUWFJFHSA-N 2 0 345.531 3.012 20 0 EGADRP CC[N@@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989924 1384707242 /nfs/dbraw/zinc/70/72/42/1384707242.db2.gz JNNOBZRZBQEEKF-UYAOXDASSA-N 2 0 329.532 3.456 20 0 EGADRP CC[N@@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989923 1384707755 /nfs/dbraw/zinc/70/77/55/1384707755.db2.gz JNNOBZRZBQEEKF-QUCCMNQESA-N 2 0 329.532 3.456 20 0 EGADRP OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068358 1384716131 /nfs/dbraw/zinc/71/61/31/1384716131.db2.gz KDUNYFIKFBKNPA-WHZJULEDSA-N 2 0 328.500 3.323 20 0 EGADRP O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1F ZINC001172069746 1384717543 /nfs/dbraw/zinc/71/75/43/1384717543.db2.gz UIIOHVRDVKJDFD-HGJUEJDCSA-N 2 0 346.490 3.367 20 0 EGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CSc3ccccc3C2)cc1 ZINC001172183328 1384742878 /nfs/dbraw/zinc/74/28/78/1384742878.db2.gz CHLDWIXAEUHBFS-GOSISDBHSA-N 2 0 342.508 3.434 20 0 EGADRP c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CS2 ZINC001172198249 1384746255 /nfs/dbraw/zinc/74/62/55/1384746255.db2.gz OQRZIZYMWFYSLQ-GOSISDBHSA-N 2 0 346.540 3.184 20 0 EGADRP COc1ccccc1C[N@H+]([C@@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172281658 1384758496 /nfs/dbraw/zinc/75/84/96/1384758496.db2.gz XOBXMRINHJAJLJ-BZSNNMDCSA-N 2 0 332.488 3.335 20 0 EGADRP COc1cccc(C[N@H+]([C@H]2COC(C)(C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172282843 1384759106 /nfs/dbraw/zinc/75/91/06/1384759106.db2.gz UYWMTULDGUHHFM-KZNAEPCWSA-N 2 0 332.488 3.335 20 0 EGADRP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001317004643 1384764648 /nfs/dbraw/zinc/76/46/48/1384764648.db2.gz BMUNVTSSDJUIRP-GOSISDBHSA-N 2 0 337.552 3.077 20 0 EGADRP CCCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC(C)C)CC1 ZINC001317006236 1384768529 /nfs/dbraw/zinc/76/85/29/1384768529.db2.gz QUOVBHKNRUSCCE-UHFFFAOYSA-N 2 0 337.552 3.221 20 0 EGADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001172609124 1384818392 /nfs/dbraw/zinc/81/83/92/1384818392.db2.gz FCQUVYRQHGVYJK-YQVWRLOYSA-N 2 0 334.504 3.129 20 0 EGADRP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172749696 1384843029 /nfs/dbraw/zinc/84/30/29/1384843029.db2.gz BQGBVXRSKUHQJH-QGZVFWFLSA-N 2 0 332.488 3.143 20 0 EGADRP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001172779753 1384850581 /nfs/dbraw/zinc/85/05/81/1384850581.db2.gz HBHXQTHCBMMUOK-FUHWJXTLSA-N 2 0 330.472 3.058 20 0 EGADRP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001172799643 1384854573 /nfs/dbraw/zinc/85/45/73/1384854573.db2.gz QCSBJFMNSQAHSW-IRXDYDNUSA-N 2 0 336.520 3.495 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001317093444 1384854826 /nfs/dbraw/zinc/85/48/26/1384854826.db2.gz QWAFLKQBRQAFGR-FHWLQOOXSA-N 2 0 343.515 3.169 20 0 EGADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172856320 1384865965 /nfs/dbraw/zinc/86/59/65/1384865965.db2.gz KFIIXVDAUWIUNQ-AWEZNQCLSA-N 2 0 329.891 3.013 20 0 EGADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172857982 1384866891 /nfs/dbraw/zinc/86/68/91/1384866891.db2.gz AUGUIHXJYRYXBZ-AWEZNQCLSA-N 2 0 341.902 3.026 20 0 EGADRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172883737 1384872609 /nfs/dbraw/zinc/87/26/09/1384872609.db2.gz UAMNHTFSFNHIHN-HNNXBMFYSA-N 2 0 343.968 3.423 20 0 EGADRP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172960001 1384890465 /nfs/dbraw/zinc/89/04/65/1384890465.db2.gz JKMICOWRYODYFA-OWCLPIDISA-N 2 0 327.513 3.094 20 0 EGADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C1 ZINC001173086247 1384911170 /nfs/dbraw/zinc/91/11/70/1384911170.db2.gz SOIBHCQTEBBPDJ-NUEKZKHPSA-N 2 0 342.405 3.400 20 0 EGADRP CC[NH+](CC)C1CCC([NH2+]CC(=O)c2cc(OC)ccc2OC)CC1 ZINC001173105153 1384915546 /nfs/dbraw/zinc/91/55/46/1384915546.db2.gz FWYIFPZYACBFEW-UHFFFAOYSA-N 2 0 348.487 3.129 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC([NH3+])(Cc3cccnc3)CC2)CC1 ZINC001173106096 1384915660 /nfs/dbraw/zinc/91/56/60/1384915660.db2.gz HKSPPBLQLTZMCN-UHFFFAOYSA-N 3 0 344.547 3.070 20 0 EGADRP CCOC[C@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2cn(C)nc21 ZINC001173108755 1384916131 /nfs/dbraw/zinc/91/61/31/1384916131.db2.gz AZOVCDDBNKXUPN-LMDPOFIKSA-N 2 0 348.535 3.009 20 0 EGADRP CC[NH+](CC)C1CCC([NH+]2CCC(NC(=O)C3CCC3)CC2)CC1 ZINC001173111662 1384916984 /nfs/dbraw/zinc/91/69/84/1384916984.db2.gz JMQTXSMALFGBOX-UHFFFAOYSA-N 2 0 335.536 3.020 20 0 EGADRP CC[NH+](CC)C1CCC(N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001173117827 1384918823 /nfs/dbraw/zinc/91/88/23/1384918823.db2.gz ZGCSKOFVTRMDMH-BTRQGYIVSA-N 2 0 325.516 3.148 20 0 EGADRP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280984 1384950519 /nfs/dbraw/zinc/95/05/19/1384950519.db2.gz QRGTWSUARNEXMI-AYWYSENESA-N 2 0 343.515 3.183 20 0 EGADRP CC[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3ccc(Br)cc32)C1 ZINC001173351885 1384963636 /nfs/dbraw/zinc/96/36/36/1384963636.db2.gz FQKJBEBNIGGBHH-AWEZNQCLSA-N 2 0 336.277 3.172 20 0 EGADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360165 1384964322 /nfs/dbraw/zinc/96/43/22/1384964322.db2.gz HVZOMDUPTDOIMC-XEYPJELSSA-N 2 0 347.572 3.375 20 0 EGADRP CC[N@@H+]1CC[C@H](N2CCC[C@H]([NH+](Cc3ccccc3)C3CC3)C2)C1 ZINC001173368389 1384965529 /nfs/dbraw/zinc/96/55/29/1384965529.db2.gz PFCYVJFVVWZYKU-SFTDATJTSA-N 2 0 327.516 3.210 20 0 EGADRP COC(=O)CCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001173436867 1384969896 /nfs/dbraw/zinc/96/98/96/1384969896.db2.gz ZTTHBVWPOZSREZ-KRWDZBQOSA-N 2 0 332.488 3.494 20 0 EGADRP COC(=O)CCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001173438210 1384969959 /nfs/dbraw/zinc/96/99/59/1384969959.db2.gz YWAJZYFRZNIHIQ-MJGOQNOKSA-N 2 0 332.488 3.220 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317206099 1384982141 /nfs/dbraw/zinc/98/21/41/1384982141.db2.gz RDSBHMDQWUAIFK-HKUYNNGSSA-N 2 0 337.552 3.125 20 0 EGADRP CCOC(=O)[C@H]1CC12CCC([NH+]1C(C)(C)CC([NH3+])CC1(C)C)CC2 ZINC001173602684 1384985958 /nfs/dbraw/zinc/98/59/58/1384985958.db2.gz BJYRGDSMZIAISU-LFDOHDQPSA-N 2 0 336.520 3.479 20 0 EGADRP CCOC(=O)C[C@H]1CC[C@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)C1 ZINC001173664984 1384999626 /nfs/dbraw/zinc/99/96/26/1384999626.db2.gz QMSYBTCKUACIPY-WMZOPIPTSA-N 2 0 345.487 3.070 20 0 EGADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001317280346 1385050618 /nfs/dbraw/zinc/05/06/18/1385050618.db2.gz QYAMZPALLLSKDK-OXJNMPFZSA-N 2 0 341.499 3.020 20 0 EGADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(N3CCCC3)cc2)CC1 ZINC001174526963 1385116912 /nfs/dbraw/zinc/11/69/12/1385116912.db2.gz HPECBSRQTDWRIM-UHFFFAOYSA-N 2 0 337.471 3.177 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)C1 ZINC001174881179 1385164040 /nfs/dbraw/zinc/16/40/40/1385164040.db2.gz IUEHDMDHYLYVNX-CJWPDFJNSA-N 2 0 343.943 3.126 20 0 EGADRP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001174961764 1385175328 /nfs/dbraw/zinc/17/53/28/1385175328.db2.gz ODRQPKVAEUNHSC-GOSISDBHSA-N 2 0 347.547 3.355 20 0 EGADRP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001174961791 1385175360 /nfs/dbraw/zinc/17/53/60/1385175360.db2.gz OQTYRQFHTDFBMB-SFHVURJKSA-N 2 0 333.520 3.101 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001174962981 1385175495 /nfs/dbraw/zinc/17/54/95/1385175495.db2.gz WJPGIRSZTJSGOK-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP CCc1ccccc1CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175048844 1385186105 /nfs/dbraw/zinc/18/61/05/1385186105.db2.gz LJNKVASCPJEYAK-GOSISDBHSA-N 2 0 347.547 3.008 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)CC[NH+](C)C ZINC001175049230 1385186404 /nfs/dbraw/zinc/18/64/04/1385186404.db2.gz QLZVBAGUIQOFFY-QGZVFWFLSA-N 2 0 345.531 3.280 20 0 EGADRP C[C@H](CCCC[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001175049677 1385186408 /nfs/dbraw/zinc/18/64/08/1385186408.db2.gz WXJIEOOSBUKMMV-HZPDHXFCSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCC(F)(F)CC1)NC(=O)CC[NH+](C)C ZINC001175049404 1385186496 /nfs/dbraw/zinc/18/64/96/1385186496.db2.gz VNZRIYORJPRLGG-OAHLLOKOSA-N 2 0 347.494 3.028 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001175056756 1385187306 /nfs/dbraw/zinc/18/73/06/1385187306.db2.gz PMAKSCHVWCWDHR-KRWDZBQOSA-N 2 0 349.563 3.173 20 0 EGADRP C[C@H](CCCC[NH2+]Cc1cc2ccccc2o1)NC(=O)CC[NH+](C)C ZINC001175055834 1385187307 /nfs/dbraw/zinc/18/73/07/1385187307.db2.gz IAPRKYHHVDHBEY-MRXNPFEDSA-N 2 0 345.487 3.149 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1ccccc1C ZINC001317490115 1385189730 /nfs/dbraw/zinc/18/97/30/1385189730.db2.gz VHFNDCPTFUWXGC-FQEVSTJZSA-N 2 0 345.531 3.196 20 0 EGADRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1CCCCCC1 ZINC001317490187 1385189991 /nfs/dbraw/zinc/18/99/91/1385189991.db2.gz XCSMVWODDLVIHA-UHFFFAOYSA-N 2 0 337.552 3.127 20 0 EGADRP CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001175106099 1385195602 /nfs/dbraw/zinc/19/56/02/1385195602.db2.gz FDRJGHCKKKTZHW-IEBWSBKVSA-N 2 0 333.520 3.037 20 0 EGADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1)[NH+](CC)CC ZINC001175217439 1385223221 /nfs/dbraw/zinc/22/32/21/1385223221.db2.gz GSPPZSFUAAUURB-SJLPKXTDSA-N 2 0 325.541 3.172 20 0 EGADRP CCOc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC001175242368 1385228626 /nfs/dbraw/zinc/22/86/26/1385228626.db2.gz FZLANXYPCLLDLK-UHFFFAOYSA-N 2 0 326.444 3.284 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256811 1385230514 /nfs/dbraw/zinc/23/05/14/1385230514.db2.gz PKLCSEORPUNUKC-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256258 1385230593 /nfs/dbraw/zinc/23/05/93/1385230593.db2.gz JZYHTSMEPPDEFZ-ROUUACIJSA-N 2 0 337.552 3.316 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256890 1385230632 /nfs/dbraw/zinc/23/06/32/1385230632.db2.gz PVZJCEMHQJPUIP-QZTJIDSGSA-N 2 0 349.563 3.316 20 0 EGADRP CC(C)[NH2+]CCCC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175262201 1385232344 /nfs/dbraw/zinc/23/23/44/1385232344.db2.gz DGFWJRVOWLDWEL-KRWDZBQOSA-N 2 0 333.520 3.077 20 0 EGADRP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262647 1385233150 /nfs/dbraw/zinc/23/31/50/1385233150.db2.gz JCGJJWAJRHKBMM-MSOLQXFVSA-N 2 0 335.536 3.093 20 0 EGADRP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175262567 1385233444 /nfs/dbraw/zinc/23/34/44/1385233444.db2.gz HOOGPODOSHSMJZ-GOSISDBHSA-N 2 0 347.547 3.325 20 0 EGADRP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271395 1385236279 /nfs/dbraw/zinc/23/62/79/1385236279.db2.gz AYRAJLWLUVOJNJ-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295607 1385242244 /nfs/dbraw/zinc/24/22/44/1385242244.db2.gz HLZRHDMZMFOILN-DLBZAZTESA-N 2 0 327.557 3.275 20 0 EGADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001175304881 1385245777 /nfs/dbraw/zinc/24/57/77/1385245777.db2.gz NEJNUQCLPNVJAC-ICSRJNTNSA-N 2 0 347.547 3.408 20 0 EGADRP CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001317675761 1385382187 /nfs/dbraw/zinc/38/21/87/1385382187.db2.gz MYIRQUVCGVUJSC-KRWDZBQOSA-N 2 0 337.552 3.268 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001175767379 1385398827 /nfs/dbraw/zinc/39/88/27/1385398827.db2.gz GARLDLJOAITCAS-FERCGXDMSA-N 2 0 345.531 3.306 20 0 EGADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001175769296 1385399539 /nfs/dbraw/zinc/39/95/39/1385399539.db2.gz PZLRKPFQOQXIQX-IBGZPJMESA-N 2 0 347.547 3.410 20 0 EGADRP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873833 1385427107 /nfs/dbraw/zinc/42/71/07/1385427107.db2.gz MJYLXTDIVKHQQT-SFHVURJKSA-N 2 0 339.568 3.419 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176025001 1385465141 /nfs/dbraw/zinc/46/51/41/1385465141.db2.gz WIOOESRLMJCGGG-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001176112324 1385487744 /nfs/dbraw/zinc/48/77/44/1385487744.db2.gz POEAKPSNMYVPAH-ZWKOTPCHSA-N 2 0 343.531 3.265 20 0 EGADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317805128 1385501501 /nfs/dbraw/zinc/50/15/01/1385501501.db2.gz JAVDFFKBSMJCMB-IEBWSBKVSA-N 2 0 345.531 3.236 20 0 EGADRP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)CCCC[NH+](C)C ZINC001176229787 1385520165 /nfs/dbraw/zinc/52/01/65/1385520165.db2.gz AVAXHAZPJBTRMZ-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176285720 1385538747 /nfs/dbraw/zinc/53/87/47/1385538747.db2.gz PVKBGRCLVROXMU-JLAWEPINSA-N 2 0 339.568 3.419 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176283907 1385538957 /nfs/dbraw/zinc/53/89/57/1385538957.db2.gz ARBDEIOSCQZFCY-QGZVFWFLSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176286832 1385540054 /nfs/dbraw/zinc/54/00/54/1385540054.db2.gz YPPDYGIGKWIHTR-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001176286122 1385540077 /nfs/dbraw/zinc/54/00/77/1385540077.db2.gz UHXROAQATJVJKX-OAHLLOKOSA-N 2 0 339.549 3.163 20 0 EGADRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001176308926 1385547087 /nfs/dbraw/zinc/54/70/87/1385547087.db2.gz FBWVGWXRTYCJBF-KPKJPENVSA-N 2 0 343.515 3.062 20 0 EGADRP CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317862107 1385547351 /nfs/dbraw/zinc/54/73/51/1385547351.db2.gz GRTJWICYRXARRG-PMACEKPBSA-N 2 0 345.531 3.086 20 0 EGADRP CC[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001317865440 1385549104 /nfs/dbraw/zinc/54/91/04/1385549104.db2.gz KXLJEZQXVJWEHN-UXHICEINSA-N 2 0 345.531 3.228 20 0 EGADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)c1ccccc1F ZINC001176327402 1385553265 /nfs/dbraw/zinc/55/32/65/1385553265.db2.gz HCFVDVYXBVTHJV-QGZVFWFLSA-N 2 0 349.494 3.249 20 0 EGADRP COc1cc(Cl)cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001176347447 1385559032 /nfs/dbraw/zinc/55/90/32/1385559032.db2.gz MDAPEJOCHBLHHL-UHFFFAOYSA-N 2 0 332.835 3.239 20 0 EGADRP CC(C)C[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317884573 1385563366 /nfs/dbraw/zinc/56/33/66/1385563366.db2.gz UHRVZBQICHCMGJ-UHFFFAOYSA-N 2 0 337.552 3.079 20 0 EGADRP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563965 1385626234 /nfs/dbraw/zinc/62/62/34/1385626234.db2.gz IWJWQTIAGLUPIZ-RBUKOAKNSA-N 2 0 345.531 3.020 20 0 EGADRP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564137 1385626465 /nfs/dbraw/zinc/62/64/65/1385626465.db2.gz LWMXLKCPDFYUAX-SJORKVTESA-N 2 0 325.541 3.029 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001176592222 1385635914 /nfs/dbraw/zinc/63/59/14/1385635914.db2.gz XGTODMLZKWSQDM-RBUKOAKNSA-N 2 0 345.531 3.416 20 0 EGADRP C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629381 1385643263 /nfs/dbraw/zinc/64/32/63/1385643263.db2.gz WPIBJFIHENNYNH-SDMNGIDPSA-N 2 0 343.943 3.270 20 0 EGADRP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176754147 1385684198 /nfs/dbraw/zinc/68/41/98/1385684198.db2.gz RRQBGLAOBFWXAN-ZWKOTPCHSA-N 2 0 325.541 3.172 20 0 EGADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176759567 1385687152 /nfs/dbraw/zinc/68/71/52/1385687152.db2.gz JZODPCHDMFOOAO-ZWKOTPCHSA-N 2 0 333.520 3.352 20 0 EGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001176843796 1385721293 /nfs/dbraw/zinc/72/12/93/1385721293.db2.gz BAXSQNHAYHQDKR-IAGOWNOFSA-N 2 0 337.552 3.172 20 0 EGADRP Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001176991963 1385765987 /nfs/dbraw/zinc/76/59/87/1385765987.db2.gz GOTUJDHHQPUPOC-FQEVSTJZSA-N 2 0 345.531 3.101 20 0 EGADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccc(F)cc1 ZINC001176992661 1385766884 /nfs/dbraw/zinc/76/68/84/1385766884.db2.gz WZQLUXVWNWFORP-OALUTQOASA-N 2 0 349.494 3.247 20 0 EGADRP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001176996818 1385768324 /nfs/dbraw/zinc/76/83/24/1385768324.db2.gz FRNUSCBGGVYTNK-FQEVSTJZSA-N 2 0 345.531 3.020 20 0 EGADRP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001176997115 1385768524 /nfs/dbraw/zinc/76/85/24/1385768524.db2.gz IYPIMFQGQKHNBX-HXUWFJFHSA-N 2 0 345.531 3.020 20 0 EGADRP CCC(CC)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001318632214 1385806182 /nfs/dbraw/zinc/80/61/82/1385806182.db2.gz KDONHBRKBNUNIJ-GOSISDBHSA-N 2 0 337.552 3.314 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001177317299 1385912377 /nfs/dbraw/zinc/91/23/77/1385912377.db2.gz UABHPTVOBUKDNG-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH2+]CC2=CCCCC2)o1 ZINC001177317954 1385912446 /nfs/dbraw/zinc/91/24/46/1385912446.db2.gz PBSIJZGTMYRWBI-UHFFFAOYSA-N 2 0 347.503 3.331 20 0 EGADRP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001177341976 1385921431 /nfs/dbraw/zinc/92/14/31/1385921431.db2.gz GCSVHCPPMFWHMU-IBGZPJMESA-N 2 0 339.568 3.371 20 0 EGADRP CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]Cc1ccccc1 ZINC001698621239 1406259010 /nfs/dbraw/zinc/25/90/10/1406259010.db2.gz SUUACQSNCHCPMV-HXUWFJFHSA-N 2 0 339.483 3.046 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001177348176 1385923036 /nfs/dbraw/zinc/92/30/36/1385923036.db2.gz BEQYRNMEZNVNJJ-OALUTQOASA-N 2 0 335.536 3.022 20 0 EGADRP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001177348209 1385923268 /nfs/dbraw/zinc/92/32/68/1385923268.db2.gz CPDIWRLQRMOZJZ-WOJBJXKFSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001177356548 1385926609 /nfs/dbraw/zinc/92/66/09/1385926609.db2.gz BBRDXHCBLCCDMQ-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001319027048 1385932810 /nfs/dbraw/zinc/93/28/10/1385932810.db2.gz HJPVIQDETBECFU-HXUWFJFHSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001177415865 1385948826 /nfs/dbraw/zinc/94/88/26/1385948826.db2.gz MKEIZUGVVZTMPL-LJQANCHMSA-N 2 0 349.563 3.293 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001177463118 1385965777 /nfs/dbraw/zinc/96/57/77/1385965777.db2.gz OTEFYDUQTKUHHS-RTBURBONSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001177488755 1385976043 /nfs/dbraw/zinc/97/60/43/1385976043.db2.gz KYLGOUIYWJQAEZ-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CC3CC(C)C3)C2)CC1 ZINC001319144093 1385977522 /nfs/dbraw/zinc/97/75/22/1385977522.db2.gz ACIZUFWFFPWBOY-UHFFFAOYSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001319363380 1386081289 /nfs/dbraw/zinc/08/12/89/1386081289.db2.gz ZFPFFGCIOWHPHJ-SFHVURJKSA-N 2 0 335.536 3.070 20 0 EGADRP CC(C)C[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)C1CCCCC1)CC2 ZINC001319402707 1386105383 /nfs/dbraw/zinc/10/53/83/1386105383.db2.gz NIBLPCAVHUYQRH-UHFFFAOYSA-N 2 0 349.563 3.221 20 0 EGADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001178688794 1386278090 /nfs/dbraw/zinc/27/80/90/1386278090.db2.gz NWCIEEDHYJJZFV-UHFFFAOYSA-N 2 0 349.494 3.076 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707942 1386285312 /nfs/dbraw/zinc/28/53/12/1386285312.db2.gz OZJQRHALHBHSLK-BJLQDIEVSA-N 2 0 347.547 3.186 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178755646 1386295455 /nfs/dbraw/zinc/29/54/55/1386295455.db2.gz YXKAPIJATHJIBQ-SFHVURJKSA-N 2 0 327.557 3.419 20 0 EGADRP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001178810289 1386314178 /nfs/dbraw/zinc/31/41/78/1386314178.db2.gz BHJBENBGEDMPBW-RBUKOAKNSA-N 2 0 337.552 3.460 20 0 EGADRP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001178811697 1386314924 /nfs/dbraw/zinc/31/49/24/1386314924.db2.gz ZBXOXOCQRDDLLR-RBUKOAKNSA-N 2 0 335.536 3.070 20 0 EGADRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001178815980 1386315813 /nfs/dbraw/zinc/31/58/13/1386315813.db2.gz QLCPCWZMKGPTDM-LJQANCHMSA-N 2 0 333.520 3.101 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178915196 1386346912 /nfs/dbraw/zinc/34/69/12/1386346912.db2.gz AWWAEVHGAVTPRS-MOPGFXCFSA-N 2 0 339.568 3.419 20 0 EGADRP CCCCCC[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178943365 1386356923 /nfs/dbraw/zinc/35/69/23/1386356923.db2.gz XIKQRZIGRUMMOC-UHFFFAOYSA-N 2 0 337.552 3.461 20 0 EGADRP Cc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)c1 ZINC001319917134 1386389215 /nfs/dbraw/zinc/38/92/15/1386389215.db2.gz JVMCRAJYWGIALL-YLJYHZDGSA-N 2 0 345.531 3.271 20 0 EGADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001319919741 1386391735 /nfs/dbraw/zinc/39/17/35/1386391735.db2.gz XBDKSFWRVJKHMX-KXBFYZLASA-N 2 0 349.494 3.101 20 0 EGADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001319919739 1386391833 /nfs/dbraw/zinc/39/18/33/1386391833.db2.gz XBDKSFWRVJKHMX-DNVCBOLYSA-N 2 0 349.494 3.101 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001179134681 1386407300 /nfs/dbraw/zinc/40/73/00/1386407300.db2.gz QQOFFMAYSHICON-UHFFFAOYSA-N 2 0 325.541 3.317 20 0 EGADRP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179134256 1386407528 /nfs/dbraw/zinc/40/75/28/1386407528.db2.gz JNLNUFUSZYPPRZ-IEBWSBKVSA-N 2 0 337.552 3.173 20 0 EGADRP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179234471 1386428336 /nfs/dbraw/zinc/42/83/36/1386428336.db2.gz OUKNAAKTSXRGLH-ROUUACIJSA-N 2 0 335.536 3.044 20 0 EGADRP C[C@H](C(=O)N(C)CC[N@H+](C)CC1CCCCC1)[NH+]1CCCCCC1 ZINC001320059973 1386482424 /nfs/dbraw/zinc/48/24/24/1386482424.db2.gz VWJYCGSHTDBWKA-GOSISDBHSA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C)[NH+](CC)CC ZINC001179517308 1386504240 /nfs/dbraw/zinc/50/42/40/1386504240.db2.gz PEZWHSQDEMIXGZ-YTQUADARSA-N 2 0 337.552 3.266 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550203 1386511875 /nfs/dbraw/zinc/51/18/75/1386511875.db2.gz REKYMJSIAHAZJH-SQNIBIBYSA-N 2 0 339.568 3.226 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)[NH+](CC)CC ZINC001179564872 1386515794 /nfs/dbraw/zinc/51/57/94/1386515794.db2.gz IZTXJFAULQFAFS-JNSOCZORSA-N 2 0 331.932 3.126 20 0 EGADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC1CCC1)[NH+](CC)CC ZINC001179564573 1386515979 /nfs/dbraw/zinc/51/59/79/1386515979.db2.gz FGGNCVQCIJJQEB-SFHVURJKSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179580997 1386522155 /nfs/dbraw/zinc/52/21/55/1386522155.db2.gz ZDTNUMAUCFGETC-KRWDZBQOSA-N 2 0 325.541 3.173 20 0 EGADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC2CCCCC2)C1 ZINC001179586143 1386524070 /nfs/dbraw/zinc/52/40/70/1386524070.db2.gz MZWCVMCOCYCKJL-SFHVURJKSA-N 2 0 337.552 3.175 20 0 EGADRP C[C@H]([NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001179585709 1386524454 /nfs/dbraw/zinc/52/44/54/1386524454.db2.gz JRXQJGJUUCVXRN-MOPGFXCFSA-N 2 0 345.531 3.356 20 0 EGADRP CC(C)(C)CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179592585 1386526475 /nfs/dbraw/zinc/52/64/75/1386526475.db2.gz IMSNRKRBCZWBLT-UHFFFAOYSA-N 2 0 339.568 3.421 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001179967437 1386651959 /nfs/dbraw/zinc/65/19/59/1386651959.db2.gz BBDJMPULTQVLIB-ICSRJNTNSA-N 2 0 345.531 3.114 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2)[C@@H]1C ZINC001179983128 1386658313 /nfs/dbraw/zinc/65/83/13/1386658313.db2.gz LZDGHTLCWUINNV-UHOSZYNNSA-N 2 0 331.504 3.059 20 0 EGADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1C ZINC001179989256 1386660014 /nfs/dbraw/zinc/66/00/14/1386660014.db2.gz WNQVTMXPBWGPJY-UHFFFAOYSA-N 2 0 347.547 3.411 20 0 EGADRP CCC[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001180039970 1386677883 /nfs/dbraw/zinc/67/78/83/1386677883.db2.gz SNSDCOCKYFHZIQ-IBGZPJMESA-N 2 0 333.520 3.356 20 0 EGADRP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001180060693 1386683829 /nfs/dbraw/zinc/68/38/29/1386683829.db2.gz LROGZBFFDCKZAG-FQEVSTJZSA-N 2 0 345.531 3.103 20 0 EGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001320739847 1386705623 /nfs/dbraw/zinc/70/56/23/1386705623.db2.gz ODJMMWJQDRSJGU-GOSISDBHSA-N 2 0 345.531 3.196 20 0 EGADRP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001320840971 1386735272 /nfs/dbraw/zinc/73/52/72/1386735272.db2.gz ONEYWBBXMOZMJH-SFHVURJKSA-N 2 0 347.547 3.472 20 0 EGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC=C(C)C)[C@@H]2C)o1 ZINC001180257462 1386748713 /nfs/dbraw/zinc/74/87/13/1386748713.db2.gz RLSWLEWYVLUJCQ-WMZOPIPTSA-N 2 0 347.503 3.280 20 0 EGADRP C[C@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180272525 1386751378 /nfs/dbraw/zinc/75/13/78/1386751378.db2.gz HZPOCTGQQGVVLS-HKUYNNGSSA-N 2 0 335.536 3.022 20 0 EGADRP CCc1ccc(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)cc1 ZINC001180278154 1386753136 /nfs/dbraw/zinc/75/31/36/1386753136.db2.gz AHNNSPHBNBXEAX-UHFFFAOYSA-N 2 0 345.531 3.111 20 0 EGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cc(Cl)cs3)c2)CC1 ZINC001320914708 1386757497 /nfs/dbraw/zinc/75/74/97/1386757497.db2.gz VZSXXQSTDVGASK-UHFFFAOYSA-N 2 0 349.931 3.439 20 0 EGADRP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001180369579 1386775680 /nfs/dbraw/zinc/77/56/80/1386775680.db2.gz MKBVIKCFQSGRRY-UHFFFAOYSA-N 2 0 333.520 3.101 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001180369678 1386777220 /nfs/dbraw/zinc/77/72/20/1386777220.db2.gz RUMNUSKCAKBSIT-UHFFFAOYSA-N 2 0 325.541 3.173 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001180372692 1386777462 /nfs/dbraw/zinc/77/74/62/1386777462.db2.gz HOTQYCABPNNZHC-LJQANCHMSA-N 2 0 339.568 3.419 20 0 EGADRP CC(C)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180372921 1386777553 /nfs/dbraw/zinc/77/75/53/1386777553.db2.gz NZXBLLPONNGWJM-SFHVURJKSA-N 2 0 325.541 3.029 20 0 EGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196423 1386838228 /nfs/dbraw/zinc/83/82/28/1386838228.db2.gz NYRMLVHNHRKTRK-SFHVURJKSA-N 2 0 326.488 3.251 20 0 EGADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CCC1CCCCC1 ZINC001180899535 1386893807 /nfs/dbraw/zinc/89/38/07/1386893807.db2.gz OUNAMLSTTHDVSI-SLYNCCJLSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181440457 1386994677 /nfs/dbraw/zinc/99/46/77/1386994677.db2.gz GPUUWCYGRGMKAQ-VWICVCDTSA-N 2 0 349.563 3.290 20 0 EGADRP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467673 1386999338 /nfs/dbraw/zinc/99/93/38/1386999338.db2.gz AIKKMNFPZZSTTI-DBXWQHBBSA-N 2 0 349.563 3.125 20 0 EGADRP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+](C)CCC[NH+](C)C ZINC001181554401 1387016191 /nfs/dbraw/zinc/01/61/91/1387016191.db2.gz CDKCESPFSMJKOS-UHFFFAOYSA-N 2 0 329.529 3.201 20 0 EGADRP CCCCC[N@H+](C)CCC(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001181866490 1387066407 /nfs/dbraw/zinc/06/64/07/1387066407.db2.gz YULHWFJEKAEGNP-UHFFFAOYSA-N 2 0 343.515 3.167 20 0 EGADRP CC[NH+]1CCC(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)CC1 ZINC001181995755 1387089468 /nfs/dbraw/zinc/08/94/68/1387089468.db2.gz FTVNRUWYOYDNRH-UHFFFAOYSA-N 2 0 331.508 3.070 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001322274948 1387134367 /nfs/dbraw/zinc/13/43/67/1387134367.db2.gz RZDYBNPZKMBCRT-CABCVRRESA-N 2 0 339.911 3.179 20 0 EGADRP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)NCCCCC[NH+](C)C)C1 ZINC001182341735 1387152663 /nfs/dbraw/zinc/15/26/63/1387152663.db2.gz SLPAIUJRVHCVTM-HXUWFJFHSA-N 2 0 345.531 3.055 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001322845519 1387245734 /nfs/dbraw/zinc/24/57/34/1387245734.db2.gz GOSCPMWWDWOIHY-UHFFFAOYSA-N 2 0 345.362 3.082 20 0 EGADRP O[C@@H]1CC[N@@H+](C2CCN(Cc3ccc(-c4ccccc4)s3)CC2)C1 ZINC001330413280 1389405955 /nfs/dbraw/zinc/40/59/55/1389405955.db2.gz UCHKBKPGJMPCHA-GOSISDBHSA-N 2 0 342.508 3.446 20 0 EGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2nccnc2C[NH3+])C1 ZINC001339535028 1390058603 /nfs/dbraw/zinc/05/86/03/1390058603.db2.gz DSSMPOVZRVPCNE-HOTGVXAUSA-N 2 0 339.487 3.025 20 0 EGADRP Cn1cc(-c2ccc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cc2)cn1 ZINC001339653185 1390097193 /nfs/dbraw/zinc/09/71/93/1390097193.db2.gz SQWPTGFNGPDTHF-UHFFFAOYSA-N 2 0 326.488 3.486 20 0 EGADRP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC001332772729 1390185098 /nfs/dbraw/zinc/18/50/98/1390185098.db2.gz ZRALNCRMWZWSMZ-ABHNRTSZSA-N 2 0 335.536 3.019 20 0 EGADRP Cc1ccccc1NC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC001333039476 1390241004 /nfs/dbraw/zinc/24/10/04/1390241004.db2.gz CHJWQUNEVJMQAI-UHFFFAOYSA-N 2 0 326.444 3.072 20 0 EGADRP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC001334121082 1390482435 /nfs/dbraw/zinc/48/24/35/1390482435.db2.gz HKHUABXCXDZWIW-OAHLLOKOSA-N 2 0 340.427 3.254 20 0 EGADRP C[C@H](CC(=O)Nc1ccnc(N2CCCCC2)c1)C1CC[NH2+]CC1 ZINC001341497939 1390494706 /nfs/dbraw/zinc/49/47/06/1390494706.db2.gz SQOMKXRSXWGHQY-OAHLLOKOSA-N 2 0 330.476 3.036 20 0 EGADRP Cc1nc(N2CCCCC2)sc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001343338385 1390708128 /nfs/dbraw/zinc/70/81/28/1390708128.db2.gz ZSVVUGMNHVGTFI-INIZCTEOSA-N 2 0 336.549 3.262 20 0 EGADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CN3C[C@](C)(C4CCCC4)CC3=O)C[C@@H]2C1 ZINC001345108203 1390837736 /nfs/dbraw/zinc/83/77/36/1390837736.db2.gz JDONQLPWMXOTMT-SHJAMOMRSA-N 2 0 347.547 3.035 20 0 EGADRP CCCN(C(=O)C[C@H]([NH3+])C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001345464702 1390861029 /nfs/dbraw/zinc/86/10/29/1390861029.db2.gz BXXWTBCFBGRDJO-FQEVSTJZSA-N 2 0 343.515 3.017 20 0 EGADRP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001698797420 1406468248 /nfs/dbraw/zinc/46/82/48/1406468248.db2.gz QEQRWIVUPONCIV-SFHVURJKSA-N 2 0 335.536 3.068 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C2(CNC(=O)CCC[NH+](C)C)CCCC2)c1 ZINC001698801536 1406478439 /nfs/dbraw/zinc/47/84/39/1406478439.db2.gz UJISCBHTIXYPIW-UHFFFAOYSA-N 2 0 345.531 3.164 20 0 EGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CCC12CCC2)c1ccsc1 ZINC001353481236 1392020888 /nfs/dbraw/zinc/02/08/88/1392020888.db2.gz CLIJIGOBSHKSHL-DLBZAZTESA-N 2 0 349.544 3.027 20 0 EGADRP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001479831158 1392417325 /nfs/dbraw/zinc/41/73/25/1392417325.db2.gz DDNICDQNIPRRGS-ICSRJNTNSA-N 2 0 349.563 3.412 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001479895458 1392464108 /nfs/dbraw/zinc/46/41/08/1392464108.db2.gz JYEYGGWTAWXJCY-APWZRJJASA-N 2 0 331.504 3.011 20 0 EGADRP CC(C)[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2)[NH+](C)C ZINC001479985771 1392517882 /nfs/dbraw/zinc/51/78/82/1392517882.db2.gz WFOPOVQQWWPPJL-RTBURBONSA-N 2 0 349.563 3.124 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001698862702 1406574646 /nfs/dbraw/zinc/57/46/46/1406574646.db2.gz UHTLGLXHFKJTJS-KRWDZBQOSA-N 2 0 341.499 3.118 20 0 EGADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1)[NH+](CC)CC ZINC001480156435 1392603250 /nfs/dbraw/zinc/60/32/50/1392603250.db2.gz BTSYBIIVQQLHEF-MLYOOKFZSA-N 2 0 345.531 3.413 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(CC)cc2)CC1 ZINC001480410365 1392746465 /nfs/dbraw/zinc/74/64/65/1392746465.db2.gz GYVLAAHYVLRSGJ-UHFFFAOYSA-N 2 0 345.531 3.108 20 0 EGADRP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CCCc2ccccc21 ZINC001480981190 1393064876 /nfs/dbraw/zinc/06/48/76/1393064876.db2.gz ASPOXUPHCRIJMW-PMACEKPBSA-N 2 0 345.531 3.088 20 0 EGADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCCC2)CC1 ZINC001481060864 1393109902 /nfs/dbraw/zinc/10/99/02/1393109902.db2.gz MPVLAAGHKXOCES-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2cc(C)ccc2C)CC1)[NH+](C)C ZINC001490419000 1394220074 /nfs/dbraw/zinc/22/00/74/1394220074.db2.gz XAXNXQUYEHAGFI-FQEVSTJZSA-N 2 0 345.531 3.066 20 0 EGADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCCCC3)C2)CC1 ZINC001481499841 1394345471 /nfs/dbraw/zinc/34/54/71/1394345471.db2.gz YJDBHBWNZCVTQM-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001491269968 1394498368 /nfs/dbraw/zinc/49/83/68/1394498368.db2.gz TVPGSHNCIFEXNE-HKUYNNGSSA-N 2 0 331.504 3.060 20 0 EGADRP C[NH+](C)Cc1ccc(C(=O)N[C@](C)(C[NH2+]CC2CCC2)C2CC2)cc1 ZINC001481945277 1394609836 /nfs/dbraw/zinc/60/98/36/1394609836.db2.gz WGDBAGCKDWBFDR-OAQYLSRUSA-N 2 0 343.515 3.036 20 0 EGADRP CC(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001482480509 1395033667 /nfs/dbraw/zinc/03/36/67/1395033667.db2.gz MSGXNVYGFNFSJB-PXNSSMCTSA-N 2 0 345.531 3.235 20 0 EGADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)CCC1 ZINC001484716622 1395476402 /nfs/dbraw/zinc/47/64/02/1395476402.db2.gz OAJFUPWRGDEAGC-GOSISDBHSA-N 2 0 335.536 3.022 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001484728328 1395492157 /nfs/dbraw/zinc/49/21/57/1395492157.db2.gz MJFKYNFLXUNCGE-HXUWFJFHSA-N 2 0 349.563 3.413 20 0 EGADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C)[C@@H](C)C1 ZINC001484985247 1395628722 /nfs/dbraw/zinc/62/87/22/1395628722.db2.gz DOCCKPDCDUBGAL-ICSRJNTNSA-N 2 0 345.531 3.196 20 0 EGADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)Cc1ccc(F)cc1 ZINC001485304223 1395780717 /nfs/dbraw/zinc/78/07/17/1395780717.db2.gz VCTWGEHTYCHUOB-INIZCTEOSA-N 2 0 349.494 3.027 20 0 EGADRP CC(C)c1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001698993520 1406787941 /nfs/dbraw/zinc/78/79/41/1406787941.db2.gz JIDQGXMJRCMNNK-FQEVSTJZSA-N 2 0 345.531 3.185 20 0 EGADRP CCC[N@H+](C)CC(=O)N(C)CCN(C)[C@H](C)c1ccccc1Cl ZINC001699001865 1406814484 /nfs/dbraw/zinc/81/44/84/1406814484.db2.gz DIYUTZKICNBYOY-OAHLLOKOSA-N 2 0 339.911 3.133 20 0 EGADRP CC[N@H+](CCNC(=O)CCc1cncn1C)CC1CCC(C)(C)CC1 ZINC001493050468 1396334412 /nfs/dbraw/zinc/33/44/12/1396334412.db2.gz KSVBAAMLZWFVEW-UHFFFAOYSA-N 2 0 348.535 3.007 20 0 EGADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001493138024 1396337840 /nfs/dbraw/zinc/33/78/40/1396337840.db2.gz NZNVJRKYBXHMBY-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC001494862214 1396501186 /nfs/dbraw/zinc/50/11/86/1396501186.db2.gz DHSRMROXGKJLOD-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001689902850 1404196347 /nfs/dbraw/zinc/19/63/47/1404196347.db2.gz NTYMTGSITDTKKS-LPHOPBHVSA-N 2 0 337.552 3.266 20 0 EGADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001690198040 1404409312 /nfs/dbraw/zinc/40/93/12/1404409312.db2.gz ZYMIGKYBZOBFOS-IBGZPJMESA-N 2 0 349.563 3.079 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001690391624 1404531206 /nfs/dbraw/zinc/53/12/06/1404531206.db2.gz FGSLTQDPSVTMPP-QUCCMNQESA-N 2 0 345.531 3.308 20 0 EGADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001690392446 1404533555 /nfs/dbraw/zinc/53/35/55/1404533555.db2.gz XUCBSAPGCHVROO-FQEVSTJZSA-N 2 0 345.531 3.055 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690392515 1404533668 /nfs/dbraw/zinc/53/36/68/1404533668.db2.gz ZOSSZHUECRYURN-IAGOWNOFSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001690713900 1404696391 /nfs/dbraw/zinc/69/63/91/1404696391.db2.gz ZDZZIMMGRFBPBM-FXAWDEMLSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691147345 1405080326 /nfs/dbraw/zinc/08/03/26/1405080326.db2.gz UTRIXINEPGOWCP-NCXUSEDFSA-N 2 0 337.552 3.026 20 0 EGADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001691463013 1405284581 /nfs/dbraw/zinc/28/45/81/1405284581.db2.gz DHXSWYBKPBXOLQ-JENIJYKNSA-N 2 0 345.531 3.210 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1F ZINC001691500509 1405304708 /nfs/dbraw/zinc/30/47/08/1405304708.db2.gz PQTVFPOSRHMMRY-QFBILLFUSA-N 2 0 349.494 3.198 20 0 EGADRP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001692384521 1405990059 /nfs/dbraw/zinc/99/00/59/1405990059.db2.gz QBZQIIZXAHCZMO-AABGKKOBSA-N 2 0 349.563 3.220 20 0 EGADRP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001698586377 1406202819 /nfs/dbraw/zinc/20/28/19/1406202819.db2.gz BTJNCYRSWOUGEB-FQEVSTJZSA-N 2 0 345.531 3.068 20 0 EGADRP CC(C)C[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001732021673 1428239072 /nfs/dbraw/zinc/23/90/72/1428239072.db2.gz JPOCGHNSPRXLOB-SFHVURJKSA-N 2 0 333.520 3.067 20 0 EGADRP O=C(NCC[C@H]1CC[N@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001732051374 1428291038 /nfs/dbraw/zinc/29/10/38/1428291038.db2.gz SQZOOTBFLWIFFJ-IBGZPJMESA-N 2 0 347.547 3.023 20 0 EGADRP CCCC[NH+]1CCC(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001732324025 1428532979 /nfs/dbraw/zinc/53/29/79/1428532979.db2.gz ZLXBNLHUGQHJAM-UHFFFAOYSA-N 2 0 342.487 3.275 20 0 EGADRP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001732360751 1428548109 /nfs/dbraw/zinc/54/81/09/1428548109.db2.gz MIQSZIUHLORMCA-SFHVURJKSA-N 2 0 347.547 3.123 20 0 EGADRP CC[C@H]([NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001699130523 1412525081 /nfs/dbraw/zinc/52/50/81/1412525081.db2.gz CJQNHQVKSRQOCE-KXBFYZLASA-N 2 0 349.494 3.103 20 0 EGADRP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)C[NH+]1CCC(C)CC1 ZINC001699209638 1412575820 /nfs/dbraw/zinc/57/58/20/1412575820.db2.gz KDJHIIYVMYWQGU-QGZVFWFLSA-N 2 0 349.494 3.057 20 0 EGADRP CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001699606806 1412970666 /nfs/dbraw/zinc/97/06/66/1412970666.db2.gz OSVPXUIBFFCNHF-OALUTQOASA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001699694413 1413102607 /nfs/dbraw/zinc/10/26/07/1413102607.db2.gz DQPZXLMCZBPVGW-FQEVSTJZSA-N 2 0 349.563 3.223 20 0 EGADRP Cc1nccn1CCCC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001699856852 1413288391 /nfs/dbraw/zinc/28/83/91/1413288391.db2.gz XZEOCKSIWLFAMB-PXNSSMCTSA-N 2 0 348.535 3.235 20 0 EGADRP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001699863838 1413299224 /nfs/dbraw/zinc/29/92/24/1413299224.db2.gz CJZFLTLLEITKFN-SFHVURJKSA-N 2 0 337.552 3.268 20 0 EGADRP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699957915 1413400427 /nfs/dbraw/zinc/40/04/27/1413400427.db2.gz VCZAIXZZLLQVOM-PKOBYXMFSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001732547932 1428725411 /nfs/dbraw/zinc/72/54/11/1428725411.db2.gz PJQHVFQCIWHTOM-IBGZPJMESA-N 2 0 337.552 3.076 20 0 EGADRP CC(C)[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001732551103 1428734614 /nfs/dbraw/zinc/73/46/14/1428734614.db2.gz RUMPJAOGQNOMJO-UHFFFAOYSA-N 2 0 349.563 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CC(C)C)C1 ZINC001700197455 1413638951 /nfs/dbraw/zinc/63/89/51/1413638951.db2.gz KPUXHELCFAXGHX-RBUKOAKNSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700365055 1413886345 /nfs/dbraw/zinc/88/63/45/1413886345.db2.gz XIUFSYNPSGJGDA-WOJBJXKFSA-N 2 0 349.563 3.079 20 0 EGADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CCC[NH2+]C/C=C/Cl)c1ccccc1 ZINC001700704942 1414361802 /nfs/dbraw/zinc/36/18/02/1414361802.db2.gz DKUIRWOBZSLKFN-KYIQILLBSA-N 2 0 349.906 3.060 20 0 EGADRP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCC1CCCC1 ZINC001700889004 1414548125 /nfs/dbraw/zinc/54/81/25/1414548125.db2.gz SBXCLNOPEGEWHB-QUCCMNQESA-N 2 0 349.563 3.412 20 0 EGADRP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc2c[nH]cn2)c1 ZINC001732593465 1428821595 /nfs/dbraw/zinc/82/15/95/1428821595.db2.gz ABLWJRUOOCYXFK-SJORKVTESA-N 2 0 342.487 3.048 20 0 EGADRP C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732978006 1429104203 /nfs/dbraw/zinc/10/42/03/1429104203.db2.gz WDOQCKKLQWQSPR-IAGOWNOFSA-N 2 0 339.483 3.217 20 0 EGADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001732983085 1429110266 /nfs/dbraw/zinc/11/02/66/1429110266.db2.gz IBRFFSPWUSZVRB-SJORKVTESA-N 2 0 339.483 3.217 20 0 EGADRP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001733040836 1429169230 /nfs/dbraw/zinc/16/92/30/1429169230.db2.gz AHBSAVLXHZKTBP-MJGOQNOKSA-N 2 0 337.552 3.268 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C ZINC001713002081 1417555368 /nfs/dbraw/zinc/55/53/68/1417555368.db2.gz GYCABWHGVQCDDK-AZUAARDMSA-N 2 0 345.531 3.196 20 0 EGADRP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001733053672 1429194272 /nfs/dbraw/zinc/19/42/72/1429194272.db2.gz SJMGDGRZDRYOTP-ROUUACIJSA-N 2 0 347.547 3.470 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2)[NH+](C)C ZINC001713098829 1417649730 /nfs/dbraw/zinc/64/97/30/1417649730.db2.gz WFOPOVQQWWPPJL-MOPGFXCFSA-N 2 0 349.563 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001713291797 1417919508 /nfs/dbraw/zinc/91/95/08/1417919508.db2.gz ZXZUFYFYKIZNQB-MNNVXMFVSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001713455563 1418107421 /nfs/dbraw/zinc/10/74/21/1418107421.db2.gz GFCOJTTXGMWOLZ-QGZVFWFLSA-N 2 0 345.531 3.403 20 0 EGADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](CC)[C@@H](C)c2ccccc2)C1 ZINC001713490407 1418189009 /nfs/dbraw/zinc/18/90/09/1418189009.db2.gz FDEYPBHLHJFILI-AZUAARDMSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@H](C(=O)NCC[N@H+](CC)[C@H](C)c1ccc2c(c1)CCC2)[NH+](C)C ZINC001713496323 1418205865 /nfs/dbraw/zinc/20/58/65/1418205865.db2.gz QZRIYYCHHDCEHI-OXQOHEQNSA-N 2 0 345.531 3.015 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530353 1418278796 /nfs/dbraw/zinc/27/87/96/1418278796.db2.gz DLCXKCGWXFZNNV-PXNSSMCTSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001713656988 1418416666 /nfs/dbraw/zinc/41/66/66/1418416666.db2.gz SEFVDNBSJZXCMW-RHSMWYFYSA-N 2 0 339.911 3.035 20 0 EGADRP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001713719804 1418490256 /nfs/dbraw/zinc/49/02/56/1418490256.db2.gz IKOJVFAHZOLNGT-IBGZPJMESA-N 2 0 337.552 3.221 20 0 EGADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)[NH+](CC)CC ZINC001713765622 1418578823 /nfs/dbraw/zinc/57/88/23/1418578823.db2.gz AJZKUDBEDLIFEF-LJQANCHMSA-N 2 0 337.552 3.077 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001713784098 1418600724 /nfs/dbraw/zinc/60/07/24/1418600724.db2.gz IHIGHIINZRESKC-GOSISDBHSA-N 2 0 345.531 3.321 20 0 EGADRP Cc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001713867924 1418664838 /nfs/dbraw/zinc/66/48/38/1418664838.db2.gz LIFIMXHTLBKLDZ-LPHOPBHVSA-N 2 0 343.515 3.025 20 0 EGADRP CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001714080666 1418874590 /nfs/dbraw/zinc/87/45/90/1418874590.db2.gz NQSMJBSJQUHXER-UYAOXDASSA-N 2 0 345.531 3.308 20 0 EGADRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1c(C)cccc1C)C1CC1)[NH+](C)C ZINC001714171150 1418978828 /nfs/dbraw/zinc/97/88/28/1418978828.db2.gz BFNPDSLUJIZHBE-PZJWPPBQSA-N 2 0 345.531 3.018 20 0 EGADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CCC1CCCCCC1 ZINC001714485925 1419209476 /nfs/dbraw/zinc/20/94/76/1419209476.db2.gz BRSRSJWXDHTKCZ-QGZVFWFLSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)Cc1ccccc1C ZINC001714583631 1419323783 /nfs/dbraw/zinc/32/37/83/1419323783.db2.gz CIYPYEFSHPFRHD-FQEVSTJZSA-N 2 0 345.531 3.054 20 0 EGADRP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CCC1CCCCCC1 ZINC001714584216 1419325822 /nfs/dbraw/zinc/32/58/22/1419325822.db2.gz QKILESGSWCRHFY-UHFFFAOYSA-N 2 0 337.552 3.269 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](C)c1cccc(C)c1 ZINC001714589966 1419335958 /nfs/dbraw/zinc/33/59/58/1419335958.db2.gz QZVJKCVLIFOKGR-PKOBYXMFSA-N 2 0 333.520 3.080 20 0 EGADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccccc1Cl ZINC001714741940 1419489751 /nfs/dbraw/zinc/48/97/51/1419489751.db2.gz DQAYUXMHGZEWHM-LSDHHAIUSA-N 2 0 339.911 3.179 20 0 EGADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001714885398 1419625859 /nfs/dbraw/zinc/62/58/59/1419625859.db2.gz WPTCKFLIPYWIKG-RBUKOAKNSA-N 2 0 345.531 3.226 20 0 EGADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001715081950 1419819045 /nfs/dbraw/zinc/81/90/45/1419819045.db2.gz CSHUBQVEYWPIML-ICSRJNTNSA-N 2 0 345.531 3.416 20 0 EGADRP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001715218630 1419952383 /nfs/dbraw/zinc/95/23/83/1419952383.db2.gz YQWACXZSFAIWRE-SFHVURJKSA-N 2 0 337.552 3.077 20 0 EGADRP C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001715377452 1420073178 /nfs/dbraw/zinc/07/31/78/1420073178.db2.gz NISWXLKVBXDXBO-SFHVURJKSA-N 2 0 337.552 3.269 20 0 EGADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCCCCC1 ZINC001715494867 1420176134 /nfs/dbraw/zinc/17/61/34/1420176134.db2.gz XTGOLZWSLURSGZ-LJQANCHMSA-N 2 0 337.552 3.172 20 0 EGADRP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001715541631 1420239334 /nfs/dbraw/zinc/23/93/34/1420239334.db2.gz AZAKURBALPPRJU-QUCCMNQESA-N 2 0 349.563 3.364 20 0 EGADRP CC[C@H]([NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C)c1ccccc1 ZINC001715587005 1420261597 /nfs/dbraw/zinc/26/15/97/1420261597.db2.gz LOUFZWJGLLYUSW-RBUKOAKNSA-N 2 0 345.531 3.352 20 0 EGADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001715932403 1420404368 /nfs/dbraw/zinc/40/43/68/1420404368.db2.gz FWSWREAIDNXVFD-KEYYUXOJSA-N 2 0 339.911 3.082 20 0 EGADRP C[N@H+](CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048506 1420512384 /nfs/dbraw/zinc/51/23/84/1420512384.db2.gz AWWLMCUKIIKIEK-MJGOQNOKSA-N 2 0 349.563 3.220 20 0 EGADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CCC3CCCCCC3)CC2)CC1 ZINC001716695931 1420848933 /nfs/dbraw/zinc/84/89/33/1420848933.db2.gz PZKSJSPVNPNSNZ-UHFFFAOYSA-N 2 0 349.563 3.317 20 0 EGADRP CC[N@H+](CCNC(=O)CCC[NH+]1CCCCC1)C1CCCCCC1 ZINC001716714338 1420868945 /nfs/dbraw/zinc/86/89/45/1420868945.db2.gz HBJURLXTDDSFMH-UHFFFAOYSA-N 2 0 337.552 3.413 20 0 EGADRP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001717004202 1421073097 /nfs/dbraw/zinc/07/30/97/1421073097.db2.gz BBTNDGHZTQYIGW-WGSAOQKQSA-N 2 0 337.552 3.173 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001717201104 1421168695 /nfs/dbraw/zinc/16/86/95/1421168695.db2.gz SRSXEEBVXLCEPX-HXUWFJFHSA-N 2 0 345.531 3.116 20 0 EGADRP C[C@@H](C(=O)N(C)CCC[N@H+](C)CC1CC(C)C1)[NH+]1CCCCCC1 ZINC001717212761 1421187661 /nfs/dbraw/zinc/18/76/61/1421187661.db2.gz MJHSKWIANWYRPP-XBMUEBEBSA-N 2 0 337.552 3.077 20 0 EGADRP CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717377086 1421319826 /nfs/dbraw/zinc/31/98/26/1421319826.db2.gz GGMWRRIWGJDYTM-VQTJNVASSA-N 2 0 349.563 3.223 20 0 EGADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001717496596 1421437937 /nfs/dbraw/zinc/43/79/37/1421437937.db2.gz MOFPJMCOQQKQTQ-QGZVFWFLSA-N 2 0 347.547 3.262 20 0 EGADRP C[C@H](c1ccccc1F)[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001717500819 1421444506 /nfs/dbraw/zinc/44/45/06/1421444506.db2.gz YEWTWQAAXFAJRS-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP C[N@H+](CCC1CCCC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001717705596 1421580329 /nfs/dbraw/zinc/58/03/29/1421580329.db2.gz JULTVSHSICLABU-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001717827399 1421641148 /nfs/dbraw/zinc/64/11/48/1421641148.db2.gz IAFUJLLDPIGUQI-SJLPKXTDSA-N 2 0 337.552 3.124 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717886038 1421688279 /nfs/dbraw/zinc/68/82/79/1421688279.db2.gz YMVQCOVGKLMRSZ-RTBURBONSA-N 2 0 337.552 3.173 20 0 EGADRP Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC001733331942 1429516783 /nfs/dbraw/zinc/51/67/83/1429516783.db2.gz YMEHZIAIRULUME-AZUAARDMSA-N 2 0 345.531 3.114 20 0 EGADRP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCCCC3)C2)CC1 ZINC001733410215 1429609654 /nfs/dbraw/zinc/60/96/54/1429609654.db2.gz HAPNGOIAASSVQC-FQEVSTJZSA-N 2 0 349.563 3.269 20 0 EGADRP CC[C@@H](C(=O)NCC1(C)CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001733452169 1429665184 /nfs/dbraw/zinc/66/51/84/1429665184.db2.gz NYLVRPHENGTGLG-SFHVURJKSA-N 2 0 337.552 3.125 20 0 EGADRP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(C)c1 ZINC001723376089 1424376899 /nfs/dbraw/zinc/37/68/99/1424376899.db2.gz FBFVXSZFKYJADO-UXHICEINSA-N 2 0 345.531 3.054 20 0 EGADRP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001723571822 1424470234 /nfs/dbraw/zinc/47/02/34/1424470234.db2.gz SVMJZGLYZGXZAF-ZWKOTPCHSA-N 2 0 337.552 3.170 20 0 EGADRP C[NH+](C)CC1(C(=O)NC2(C)CC[NH+](CCC3CC3)CC2)CCCCC1 ZINC001724013362 1424627267 /nfs/dbraw/zinc/62/72/67/1424627267.db2.gz LMMCKAVTIVLSEF-UHFFFAOYSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001724328664 1424816449 /nfs/dbraw/zinc/81/64/49/1424816449.db2.gz MBGVCFCJJPXBTK-OAQYLSRUSA-N 2 0 345.531 3.031 20 0 EGADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001724628811 1424983485 /nfs/dbraw/zinc/98/34/85/1424983485.db2.gz RCFSACUTMNAWDM-HSALFYBXSA-N 2 0 349.563 3.077 20 0 EGADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001724843679 1425193106 /nfs/dbraw/zinc/19/31/06/1425193106.db2.gz NQTVYWNPTYCCNR-APWZRJJASA-N 2 0 349.494 3.199 20 0 EGADRP CCCc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001724849183 1425208963 /nfs/dbraw/zinc/20/89/63/1425208963.db2.gz VXRNRBZXMNVOKY-FQEVSTJZSA-N 2 0 345.531 3.014 20 0 EGADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001724854773 1425223804 /nfs/dbraw/zinc/22/38/04/1425223804.db2.gz ZNGDEAYRFXNUQZ-UYAOXDASSA-N 2 0 345.531 3.321 20 0 EGADRP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001724979982 1425381643 /nfs/dbraw/zinc/38/16/43/1425381643.db2.gz RHPWHUQXCJBZPY-ZWKOTPCHSA-N 2 0 337.552 3.125 20 0 EGADRP CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)CC1 ZINC001725018503 1425436410 /nfs/dbraw/zinc/43/64/10/1425436410.db2.gz STYKEHNVYVEASZ-UHFFFAOYSA-N 2 0 349.563 3.366 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C)CC1 ZINC001725190077 1425732112 /nfs/dbraw/zinc/73/21/12/1425732112.db2.gz ZPAZGYLONKJYKE-KRWDZBQOSA-N 2 0 339.568 3.370 20 0 EGADRP CC[C@H]([NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001725782665 1426467427 /nfs/dbraw/zinc/46/74/27/1426467427.db2.gz LSLFORCRHYKKDL-ACBHZAAOSA-N 2 0 343.515 3.059 20 0 EGADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001725789055 1426475029 /nfs/dbraw/zinc/47/50/29/1426475029.db2.gz CJOTZXVUGBHGCD-UHFFFAOYSA-N 2 0 349.544 3.012 20 0 EGADRP CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731297632 1427240287 /nfs/dbraw/zinc/24/02/87/1427240287.db2.gz UJNWKCRCYNOIRY-IEBWSBKVSA-N 2 0 337.552 3.410 20 0 EGADRP CC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001731384587 1427326422 /nfs/dbraw/zinc/32/64/22/1427326422.db2.gz DNQBZWWZWIUREF-HKUYNNGSSA-N 2 0 343.515 3.060 20 0 EGADRP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001731430601 1427413177 /nfs/dbraw/zinc/41/31/77/1427413177.db2.gz BIEDPXCJCINLCM-SLFFLAALSA-N 2 0 349.563 3.076 20 0 EGADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001731506941 1427494627 /nfs/dbraw/zinc/49/46/27/1427494627.db2.gz NHEAXWJSSTWGRH-HXUWFJFHSA-N 2 0 349.563 3.271 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001731697292 1427747423 /nfs/dbraw/zinc/74/74/23/1427747423.db2.gz CUSWKXJEGLYCLE-RBUKOAKNSA-N 2 0 337.552 3.316 20 0 EGADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001731697290 1427747880 /nfs/dbraw/zinc/74/78/80/1427747880.db2.gz CUSWKXJEGLYCLE-MOPGFXCFSA-N 2 0 337.552 3.316 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001731720674 1427788922 /nfs/dbraw/zinc/78/89/22/1427788922.db2.gz OPEXWJBEQSXYEJ-LPHOPBHVSA-N 2 0 349.494 3.151 20 0 EGADRP C[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001731963257 1428185568 /nfs/dbraw/zinc/18/55/68/1428185568.db2.gz ZCRFINMLFPQMRR-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1 ZINC001733778872 1430035129 /nfs/dbraw/zinc/03/51/29/1430035129.db2.gz PKLSYKYWMWUADI-HXUWFJFHSA-N 2 0 345.531 3.230 20 0 EGADRP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCCCCC1 ZINC001733897145 1437714303 /nfs/dbraw/zinc/71/43/03/1437714303.db2.gz CFCDHFXIDYRKDG-PKOBYXMFSA-N 2 0 349.563 3.410 20 0 EGADRP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001733902126 1437720452 /nfs/dbraw/zinc/72/04/52/1437720452.db2.gz SYSJEHKMSWAKHD-MJGOQNOKSA-N 2 0 349.563 3.410 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](CC)c1ccccc1 ZINC001733938711 1437754241 /nfs/dbraw/zinc/75/42/41/1437754241.db2.gz RLULYEMAJQTIJE-PMACEKPBSA-N 2 0 345.531 3.402 20 0 EGADRP CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733941699 1437757586 /nfs/dbraw/zinc/75/75/86/1437757586.db2.gz SCNIVFOQKCFHBK-MOPGFXCFSA-N 2 0 349.563 3.221 20 0 EGADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001734356067 1438073418 /nfs/dbraw/zinc/07/34/18/1438073418.db2.gz JGCDAORZBDMDJP-MOPGFXCFSA-N 2 0 345.531 3.369 20 0 EGADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001734357654 1438074749 /nfs/dbraw/zinc/07/47/49/1438074749.db2.gz SMTCETDLCUXGAD-DLBZAZTESA-N 2 0 349.494 3.199 20 0 EGADRP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCCC1CCC1 ZINC001734456311 1438113825 /nfs/dbraw/zinc/11/38/25/1438113825.db2.gz HTNAHZPACBQDKC-AZUAARDMSA-N 2 0 349.563 3.412 20 0 EGADRP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001734570484 1438164740 /nfs/dbraw/zinc/16/47/40/1438164740.db2.gz PCPPURFPZAEWOZ-KRWDZBQOSA-N 2 0 325.541 3.029 20 0 EGADRP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001734593868 1438179987 /nfs/dbraw/zinc/17/99/87/1438179987.db2.gz HEEFEDOAKGHLSB-IUDNXUCKSA-N 2 0 337.533 3.048 20 0 EGADRP C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001752072392 1440138041 /nfs/dbraw/zinc/13/80/41/1440138041.db2.gz CFJFEYFEKYGXIV-KRWDZBQOSA-N 2 0 349.494 3.028 20 0 EGADRP CCc1ccccc1C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001752126674 1440143190 /nfs/dbraw/zinc/14/31/90/1440143190.db2.gz UCSMTQWBTAYPHN-HXUWFJFHSA-N 2 0 345.531 3.062 20 0 EGADRP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001752425672 1440177039 /nfs/dbraw/zinc/17/70/39/1440177039.db2.gz SIXFINFWZZUWLZ-FHWLQOOXSA-N 2 0 349.563 3.124 20 0 EGADRP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001752436862 1440180345 /nfs/dbraw/zinc/18/03/45/1440180345.db2.gz ZTVSBUAWOBZPLF-DSQZMVHQSA-N 2 0 347.547 3.045 20 0 EGADRP CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001752439599 1440180963 /nfs/dbraw/zinc/18/09/63/1440180963.db2.gz KOMWKPKPUWZULZ-RURPWVQCSA-N 2 0 349.563 3.388 20 0 EGADRP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001752781923 1440209074 /nfs/dbraw/zinc/20/90/74/1440209074.db2.gz ASPSOHHPDVZUTH-KRWDZBQOSA-N 2 0 342.487 3.275 20 0 EGADRP CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752801537 1440215102 /nfs/dbraw/zinc/21/51/02/1440215102.db2.gz OEDZIPJMXVKIBJ-SFHVURJKSA-N 2 0 335.536 3.023 20 0 EGADRP CC(C)(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001752815119 1440217821 /nfs/dbraw/zinc/21/78/21/1440217821.db2.gz NWEZXFSPURBIMQ-SFHVURJKSA-N 2 0 337.552 3.127 20 0 EGADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752836955 1440228156 /nfs/dbraw/zinc/22/81/56/1440228156.db2.gz QEFOGOVLOZSFBU-MJGOQNOKSA-N 2 0 349.563 3.268 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752837325 1440228392 /nfs/dbraw/zinc/22/83/92/1440228392.db2.gz SCQYAQYRMGCYII-PXEQJPNCSA-N 2 0 349.563 3.434 20 0 EGADRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001752839138 1440229346 /nfs/dbraw/zinc/22/93/46/1440229346.db2.gz BRKBTQTXMXGYIM-IEBWSBKVSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001752840230 1440229973 /nfs/dbraw/zinc/22/99/73/1440229973.db2.gz JVOMFGGSSLNHTL-PXNSSMCTSA-N 2 0 349.563 3.125 20 0 EGADRP CC(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001752850755 1440233469 /nfs/dbraw/zinc/23/34/69/1440233469.db2.gz LODJPASUOFCRNE-QLOJAFMTSA-N 2 0 349.563 3.457 20 0 EGADRP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001752876588 1440238178 /nfs/dbraw/zinc/23/81/78/1440238178.db2.gz CDLKWKAPQGNTRC-HNNXBMFYSA-N 2 0 345.512 3.026 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001752939253 1440250790 /nfs/dbraw/zinc/25/07/90/1440250790.db2.gz YGDLFCFBOAJOLD-VQTJNVASSA-N 2 0 349.563 3.269 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996611 1440262350 /nfs/dbraw/zinc/26/23/50/1440262350.db2.gz HFQCCNQUSTYVKL-LJQANCHMSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001753011493 1440267175 /nfs/dbraw/zinc/26/71/75/1440267175.db2.gz ZJGWDVARHWUMRW-HZPDHXFCSA-N 2 0 349.494 3.246 20 0 EGADRP CC(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753036775 1440274953 /nfs/dbraw/zinc/27/49/53/1440274953.db2.gz FGRBAYLWEPAKEK-IBGZPJMESA-N 2 0 337.552 3.125 20 0 EGADRP Cc1cc(C[N@@H+]2CCC[C@H]2CCCNC(=O)C[NH+]2CCCC2)cs1 ZINC001753040242 1440275881 /nfs/dbraw/zinc/27/58/81/1440275881.db2.gz UIERRAUNXYBNOB-GOSISDBHSA-N 2 0 349.544 3.013 20 0 EGADRP Cc1cc(C)cc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001753049915 1440279065 /nfs/dbraw/zinc/27/90/65/1440279065.db2.gz RQVMAWOFQHTGTD-UHFFFAOYSA-N 2 0 345.531 3.116 20 0 EGADRP Cc1ccc(C[N@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)cc1C ZINC001753076084 1440291240 /nfs/dbraw/zinc/29/12/40/1440291240.db2.gz UDIWVWNGDMITBQ-UHFFFAOYSA-N 2 0 345.531 3.118 20 0 EGADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@H](C)c2cccc(F)c2)CC[N@@H+]1C ZINC001753082237 1440294376 /nfs/dbraw/zinc/29/43/76/1440294376.db2.gz HDIGQSRSMIFZTL-AYOQOUSVSA-N 2 0 349.494 3.055 20 0 EGADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CCC1=CCCCC1 ZINC001753082239 1440294528 /nfs/dbraw/zinc/29/45/28/1440294528.db2.gz HDODCWFLIVNWTG-IBGZPJMESA-N 2 0 335.536 3.188 20 0 EGADRP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001753107628 1440306902 /nfs/dbraw/zinc/30/69/02/1440306902.db2.gz CBLGJMQXWWUJRI-GOSISDBHSA-N 2 0 347.547 3.022 20 0 EGADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001753112271 1440309115 /nfs/dbraw/zinc/30/91/15/1440309115.db2.gz ZLTSFEYJMYCAKN-RBUKOAKNSA-N 2 0 337.552 3.268 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)c1cc(C)ccc1C ZINC001753142967 1440322328 /nfs/dbraw/zinc/32/23/28/1440322328.db2.gz QRIALTVGOJZEOV-ICSRJNTNSA-N 2 0 345.531 3.287 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1ccc(F)cc1 ZINC001753143082 1440322528 /nfs/dbraw/zinc/32/25/28/1440322528.db2.gz IDEKVCBRPIIMPO-GPMSIDNRSA-N 2 0 349.494 3.055 20 0 EGADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCCC1 ZINC001753149325 1440326660 /nfs/dbraw/zinc/32/66/60/1440326660.db2.gz WYWIVHXHRKVXGW-RBUKOAKNSA-N 2 0 337.552 3.125 20 0 EGADRP C[C@H](C(=O)N(C)CC[NH2+]CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001753237961 1440341894 /nfs/dbraw/zinc/34/18/94/1440341894.db2.gz RUWGNBSAIMCTOB-JLAWEPINSA-N 2 0 337.552 3.125 20 0 EGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001753294503 1440351547 /nfs/dbraw/zinc/35/15/47/1440351547.db2.gz OARQMIZYECLNOM-WOJBJXKFSA-N 2 0 345.531 3.451 20 0 EGADRP CC(C)[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001753303233 1440354839 /nfs/dbraw/zinc/35/48/39/1440354839.db2.gz UIJJXBMAXSVFQC-HXUWFJFHSA-N 2 0 339.483 3.217 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001753308721 1440355941 /nfs/dbraw/zinc/35/59/41/1440355941.db2.gz AZQJAGBCQWZFLU-YSIASYRMSA-N 2 0 343.515 3.073 20 0 EGADRP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001753325774 1440366500 /nfs/dbraw/zinc/36/65/00/1440366500.db2.gz DGGCTFNSHGZLRW-MOPGFXCFSA-N 2 0 337.552 3.077 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001753360018 1440382337 /nfs/dbraw/zinc/38/23/37/1440382337.db2.gz OGYMLLAAOQJCDE-DLBZAZTESA-N 2 0 349.494 3.007 20 0 EGADRP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753428814 1440397596 /nfs/dbraw/zinc/39/75/96/1440397596.db2.gz WITIEIXXGAQVFC-DUFJLWIISA-N 2 0 347.547 3.188 20 0 EGADRP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001753443791 1440402661 /nfs/dbraw/zinc/40/26/61/1440402661.db2.gz DMXYMDQCZDOKOV-LJQANCHMSA-N 2 0 345.531 3.006 20 0 EGADRP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753457277 1440408753 /nfs/dbraw/zinc/40/87/53/1440408753.db2.gz MXAAOPNOKZBOFI-SFHVURJKSA-N 2 0 337.552 3.220 20 0 EGADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001753458755 1440409380 /nfs/dbraw/zinc/40/93/80/1440409380.db2.gz KBEIZIUKLLVIML-UXHICEINSA-N 2 0 345.531 3.402 20 0 EGADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001753460388 1440410153 /nfs/dbraw/zinc/41/01/53/1440410153.db2.gz XCFKWIVRYVFBHG-RBUKOAKNSA-N 2 0 331.504 3.012 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cccc(C)c2)CC1 ZINC001753576901 1440439525 /nfs/dbraw/zinc/43/95/25/1440439525.db2.gz ZGNQQGDIDHHIPN-UHFFFAOYSA-N 2 0 345.531 3.055 20 0 EGADRP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001753587525 1440441729 /nfs/dbraw/zinc/44/17/29/1440441729.db2.gz HSCOXKSZWGRDGU-VDGAXYAQSA-N 2 0 345.531 3.425 20 0 EGADRP CC(C)[NH2+]Cc1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001753589482 1440442363 /nfs/dbraw/zinc/44/23/63/1440442363.db2.gz BSXSMQFIDHUAGF-UHFFFAOYSA-N 2 0 345.531 3.313 20 0 EGADRP C[NH+](C)CCCC(=O)N1CCC2(C[NH+](CCCC3CCCC3)C2)CC1 ZINC001753675220 1440463128 /nfs/dbraw/zinc/46/31/28/1440463128.db2.gz WMFWMYQYOCLRGO-UHFFFAOYSA-N 2 0 349.563 3.223 20 0 EGADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753690125 1440466398 /nfs/dbraw/zinc/46/63/98/1440466398.db2.gz SVEVOKCKORMSSA-PKOBYXMFSA-N 2 0 349.563 3.266 20 0 EGADRP C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001753700425 1440468386 /nfs/dbraw/zinc/46/83/86/1440468386.db2.gz JIUZAPQVQKIEJO-QGZVFWFLSA-N 2 0 335.536 3.022 20 0 EGADRP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753701837 1440468606 /nfs/dbraw/zinc/46/86/06/1440468606.db2.gz SGJUYEKMVGKJIF-CVEARBPZSA-N 2 0 325.541 3.122 20 0 EGADRP C[C@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753716743 1440472116 /nfs/dbraw/zinc/47/21/16/1440472116.db2.gz AAHWEUMZVUBQTC-GOSISDBHSA-N 2 0 337.552 3.125 20 0 EGADRP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001753728552 1440475035 /nfs/dbraw/zinc/47/50/35/1440475035.db2.gz CFYCZWQNRYOAMK-QZTJIDSGSA-N 2 0 339.568 3.370 20 0 EGADRP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001753749614 1440482202 /nfs/dbraw/zinc/48/22/02/1440482202.db2.gz MWRJIOAXCLEMCM-MOPGFXCFSA-N 2 0 337.552 3.316 20 0 EGADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCC2CCCC2)C1 ZINC001753788402 1440488511 /nfs/dbraw/zinc/48/85/11/1440488511.db2.gz NWXVYKLTZZFJTQ-PMACEKPBSA-N 2 0 349.563 3.269 20 0 EGADRP CC(C)=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001753812613 1440493061 /nfs/dbraw/zinc/49/30/61/1440493061.db2.gz FVBFIDHONLFMBL-WOJBJXKFSA-N 2 0 349.563 3.435 20 0 EGADRP C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001753812601 1440493067 /nfs/dbraw/zinc/49/30/67/1440493067.db2.gz FPSIZGBBAYFHLO-ZWKOTPCHSA-N 2 0 339.568 3.371 20 0 EGADRP C[C@H]1CCC[C@@H](CC[N@H+](C)CCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753856322 1440509012 /nfs/dbraw/zinc/50/90/12/1440509012.db2.gz FFBBMYFAJRIQIQ-OALUTQOASA-N 2 0 349.563 3.221 20 0 EGADRP CC1CC(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753860750 1440511168 /nfs/dbraw/zinc/51/11/68/1440511168.db2.gz IRIJLCYACMROOC-AFMYVXGZSA-N 2 0 349.563 3.220 20 0 EGADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCC2CCCC2)CC1 ZINC001753866884 1440515046 /nfs/dbraw/zinc/51/50/46/1440515046.db2.gz VNSUZDAJAZFRCK-UHFFFAOYSA-N 2 0 337.552 3.077 20 0 EGADRP Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001753869427 1440516782 /nfs/dbraw/zinc/51/67/82/1440516782.db2.gz SIVMTUGNCVOZGW-UHFFFAOYSA-N 2 0 345.531 3.070 20 0 EGADRP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001753874498 1440518535 /nfs/dbraw/zinc/51/85/35/1440518535.db2.gz GLXXRHQHOVYRCV-HNNXBMFYSA-N 2 0 339.911 3.133 20 0 EGADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753877778 1440520052 /nfs/dbraw/zinc/52/00/52/1440520052.db2.gz JOFPMYNYJYGLDN-PMACEKPBSA-N 2 0 349.563 3.220 20 0 EGADRP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753965451 1440526429 /nfs/dbraw/zinc/52/64/29/1440526429.db2.gz BDXFVBALMCBNKR-KRWDZBQOSA-N 2 0 335.536 3.236 20 0 EGADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753992313 1440529127 /nfs/dbraw/zinc/52/91/27/1440529127.db2.gz DYMDBJVFSQCZKB-MJGOQNOKSA-N 2 0 349.563 3.173 20 0 EGADRP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754071510 1440538117 /nfs/dbraw/zinc/53/81/17/1440538117.db2.gz DHLOJJBEWWNVID-VQTJNVASSA-N 2 0 349.563 3.412 20 0 EGADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001754225243 1440553100 /nfs/dbraw/zinc/55/31/00/1440553100.db2.gz PBRSQLBJIUZLLH-SJLPKXTDSA-N 2 0 337.552 3.170 20 0 EGADRP CC(C)c1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001754278146 1440562641 /nfs/dbraw/zinc/56/26/41/1440562641.db2.gz MYHHZSCUAQJNPC-KRWDZBQOSA-N 2 0 345.531 3.279 20 0 EGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001754336894 1440586885 /nfs/dbraw/zinc/58/68/85/1440586885.db2.gz PHTOUWYRIFGDAZ-UYAOXDASSA-N 2 0 345.531 3.114 20 0 EGADRP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001754540787 1440626185 /nfs/dbraw/zinc/62/61/85/1440626185.db2.gz GEEKBRLDRRAVJM-XUBOLADHSA-N 2 0 349.563 3.410 20 0 EGADRP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001754567588 1440636148 /nfs/dbraw/zinc/63/61/48/1440636148.db2.gz PVQMBRXXQGVDMZ-NRFANRHFSA-N 2 0 349.563 3.221 20 0 EGADRP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001754598645 1440641959 /nfs/dbraw/zinc/64/19/59/1440641959.db2.gz KHWPRCSPSXDLEG-DLBZAZTESA-N 2 0 339.568 3.370 20 0 EGADRP Cc1ccc(C[NH+]2CCC(C)(NC(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001754630788 1440647676 /nfs/dbraw/zinc/64/76/76/1440647676.db2.gz CNEVOOHNJVSWND-UHFFFAOYSA-N 2 0 345.531 3.198 20 0 EGADRP CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001754674741 1440659514 /nfs/dbraw/zinc/65/95/14/1440659514.db2.gz BFBQVMXFWRXJHA-PVTFFILZSA-N 2 0 335.536 3.188 20 0 EGADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001754697629 1440667338 /nfs/dbraw/zinc/66/73/38/1440667338.db2.gz RAFOGBVUIXVFEO-PZJWPPBQSA-N 2 0 347.547 3.189 20 0 EGADRP CC(C)=CC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001754718171 1440672178 /nfs/dbraw/zinc/67/21/78/1440672178.db2.gz SCCGDJZZVZJMGJ-GOSISDBHSA-N 2 0 335.536 3.045 20 0 EGADRP CCC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730789 1440679083 /nfs/dbraw/zinc/67/90/83/1440679083.db2.gz YXXVWMYYBGWLFW-BXKJMJEDSA-N 2 0 349.563 3.293 20 0 EGADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CCC2CCCC2)C1 ZINC001754734879 1440681660 /nfs/dbraw/zinc/68/16/60/1440681660.db2.gz ZLFXUKPCUJGSTL-HXUWFJFHSA-N 2 0 337.552 3.125 20 0 EGADRP Cc1c(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001754801445 1440690395 /nfs/dbraw/zinc/69/03/95/1440690395.db2.gz PNXUWTZVXTZMFB-WBVHZDCISA-N 2 0 342.487 3.129 20 0 EGADRP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001754988024 1440723472 /nfs/dbraw/zinc/72/34/72/1440723472.db2.gz OOXSZDPEBPJBQM-ZWKOTPCHSA-N 2 0 335.536 3.068 20 0 EGADRP O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754988239 1440723496 /nfs/dbraw/zinc/72/34/96/1440723496.db2.gz WGXUFTDLJCVNBV-RTBURBONSA-N 2 0 347.547 3.212 20 0 EGADRP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001755026683 1440729234 /nfs/dbraw/zinc/72/92/34/1440729234.db2.gz UZIQUMUOZHCPBX-OALUTQOASA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755042117 1440738207 /nfs/dbraw/zinc/73/82/07/1440738207.db2.gz UNFSOGNJQAGFHV-FQEVSTJZSA-N 2 0 345.531 3.260 20 0 EGADRP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001755042962 1440738630 /nfs/dbraw/zinc/73/86/30/1440738630.db2.gz YBCGBKKNJBKKJR-SFHVURJKSA-N 2 0 345.531 3.178 20 0 EGADRP CC(C)=CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001755048036 1440742384 /nfs/dbraw/zinc/74/23/84/1440742384.db2.gz SVTDRGNGEGXMDJ-VQTJNVASSA-N 2 0 349.563 3.243 20 0 EGADRP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001755071217 1440746673 /nfs/dbraw/zinc/74/66/73/1440746673.db2.gz LGLKCEQECGTDCX-PXEQJPNCSA-N 2 0 349.563 3.434 20 0 EGADRP C[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2 ZINC001755102166 1440753171 /nfs/dbraw/zinc/75/31/71/1440753171.db2.gz KKFYWUGPAWJLEA-UHFFFAOYSA-N 2 0 331.504 3.006 20 0 EGADRP CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001755108609 1440753959 /nfs/dbraw/zinc/75/39/59/1440753959.db2.gz IBRFTEXRFDYGGZ-MSOLQXFVSA-N 2 0 337.552 3.268 20 0 EGADRP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001755136426 1440758314 /nfs/dbraw/zinc/75/83/14/1440758314.db2.gz YJDKPPIDPCAVBE-QGZVFWFLSA-N 2 0 345.531 3.379 20 0 EGADRP C[C@@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCC(C)(C)C ZINC001755163239 1440765654 /nfs/dbraw/zinc/76/56/54/1440765654.db2.gz FPJLHNQDJAHSCX-IAGOWNOFSA-N 2 0 339.568 3.370 20 0 EGADRP CCCCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001755170844 1440768792 /nfs/dbraw/zinc/76/87/92/1440768792.db2.gz BWSNGEWVZHSUCD-FQEVSTJZSA-N 2 0 345.531 3.232 20 0 EGADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1C ZINC001755200351 1440779313 /nfs/dbraw/zinc/77/93/13/1440779313.db2.gz GNEQYCSZMBYMOR-RTBURBONSA-N 2 0 345.531 3.321 20 0 EGADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC=C(C)C)C2)CC1 ZINC001755205036 1440781908 /nfs/dbraw/zinc/78/19/08/1440781908.db2.gz PFDXDGPCEHZSIR-HXUWFJFHSA-N 2 0 349.563 3.245 20 0 EGADRP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001755222063 1440784825 /nfs/dbraw/zinc/78/48/25/1440784825.db2.gz VJWDHZSRVGZMBZ-KVZIAJEVSA-N 2 0 349.563 3.027 20 0 EGADRP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001755241642 1440789538 /nfs/dbraw/zinc/78/95/38/1440789538.db2.gz FRKKEYPDNHUKDX-UONOGXRCSA-N 2 0 330.476 3.175 20 0 EGADRP Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001755262049 1440794804 /nfs/dbraw/zinc/79/48/04/1440794804.db2.gz IRSUGRHTHMJIHW-QZTJIDSGSA-N 2 0 345.531 3.098 20 0 EGADRP Cc1nccn1CC(=O)N(C)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001755276767 1440799249 /nfs/dbraw/zinc/79/92/49/1440799249.db2.gz VOKJHIYNECHULI-UHFFFAOYSA-N 2 0 346.519 3.131 20 0 EGADRP Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001755286965 1440802292 /nfs/dbraw/zinc/80/22/92/1440802292.db2.gz HUXLTQOVBUJEJI-SFHVURJKSA-N 2 0 345.531 3.226 20 0 EGADRP Cc1cccc(C)c1C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001755300486 1440808175 /nfs/dbraw/zinc/80/81/75/1440808175.db2.gz QMYWCKWEPQZMHN-UYAOXDASSA-N 2 0 345.531 3.113 20 0 EGADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC001755368673 1440836300 /nfs/dbraw/zinc/83/63/00/1440836300.db2.gz VBDVUQPZLZJXPP-FQEVSTJZSA-N 2 0 347.547 3.334 20 0 EGADRP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001755483126 1440860511 /nfs/dbraw/zinc/86/05/11/1440860511.db2.gz HYIAXOFVCURBGG-MXVIHJGJSA-N 2 0 347.547 3.237 20 0 EGADRP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001755587611 1440880704 /nfs/dbraw/zinc/88/07/04/1440880704.db2.gz HQHPIHAGEWUVJD-FXAWDEMLSA-N 2 0 345.531 3.058 20 0 EGADRP CC[N@H+](C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1)c1ccccc1 ZINC001755610538 1440886919 /nfs/dbraw/zinc/88/69/19/1440886919.db2.gz ONAFLWJSBAZLRX-PXNSSMCTSA-N 2 0 345.531 3.306 20 0 EGADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001755707939 1440902974 /nfs/dbraw/zinc/90/29/74/1440902974.db2.gz KNTCNLGEZWIQNC-SLFFLAALSA-N 2 0 349.563 3.125 20 0 EGADRP CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001755738552 1440911316 /nfs/dbraw/zinc/91/13/16/1440911316.db2.gz UKMBRFZKHQQEBR-FKDQEEMOSA-N 2 0 347.547 3.093 20 0 EGADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755765111 1440915920 /nfs/dbraw/zinc/91/59/20/1440915920.db2.gz IUZAUMNPRQTBGH-CRAIPNDOSA-N 2 0 349.494 3.055 20 0 EGADRP CC(C)=CC[N@@H+](C)CCN(C(=O)C[NH+](C)CC(C)(C)C)C(C)C ZINC001755811914 1440920731 /nfs/dbraw/zinc/92/07/31/1440920731.db2.gz FVIKNDGYYKBWQC-UHFFFAOYSA-N 2 0 325.541 3.099 20 0 EGADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC001755825453 1440927077 /nfs/dbraw/zinc/92/70/77/1440927077.db2.gz SVICSAOLLCSXDT-DLBZAZTESA-N 2 0 339.568 3.418 20 0 EGADRP CCCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001755834015 1440929615 /nfs/dbraw/zinc/92/96/15/1440929615.db2.gz UQAFXSVKPTUPHX-IRXDYDNUSA-N 2 0 325.541 3.172 20 0 EGADRP C[NH+](C)CCC(=O)NC1(C2CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC001755869025 1440938572 /nfs/dbraw/zinc/93/85/72/1440938572.db2.gz PSGBILSESMUTCQ-UHFFFAOYSA-N 2 0 337.552 3.125 20 0 EGADRP